smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1sc(C)c(S(=O)(=O)N2CCC(CC[NH3+])CC2)c1C ZINC000722597621 776543759 /nfs/dbraw/zinc/54/37/59/776543759.db2.gz GJRVPMBBTKFIJT-UHFFFAOYSA-N 1 0 316.492 2.423 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(-c2ccc(Br)cn2)no1 ZINC000722643953 776641771 /nfs/dbraw/zinc/64/17/71/776641771.db2.gz VWWSWOAHRHRSLE-RKDXNWHRSA-N 1 0 323.194 2.292 10 0 DEAERO FC(F)(F)[C@H]1CC[C@H](C[NH+]2CCC(C3OCCO3)CC2)O1 ZINC000721464838 777053947 /nfs/dbraw/zinc/05/39/47/777053947.db2.gz FFRRJLJGCXEQNU-VXGBXAGGSA-N 1 0 309.328 2.181 10 0 DEAERO FC(F)(F)[C@H]1CC[C@@H](C[NH+]2CCC(C3OCCO3)CC2)O1 ZINC000721464830 777054136 /nfs/dbraw/zinc/05/41/36/777054136.db2.gz FFRRJLJGCXEQNU-NWDGAFQWSA-N 1 0 309.328 2.181 10 0 DEAERO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(Cl)cn1 ZINC000723850920 777187761 /nfs/dbraw/zinc/18/77/61/777187761.db2.gz OTZIZHKQERFOCB-SNVBAGLBSA-N 1 0 304.843 2.456 10 0 DEAERO CC[C@H]([NH2+]Cc1nc(Br)c[nH]1)[C@@H]1CCCOC1 ZINC000724011149 777220641 /nfs/dbraw/zinc/22/06/41/777220641.db2.gz CYGJJKQEOHRUGN-ZJUUUORDSA-N 1 0 302.216 2.467 10 0 DEAERO CC(C)(CCCO)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724049341 777230873 /nfs/dbraw/zinc/23/08/73/777230873.db2.gz RIMMJXZDYOPPBZ-JTQLQIEISA-N 1 0 307.303 2.323 10 0 DEAERO CC(C)(O)[C@@H]1CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724060283 777232590 /nfs/dbraw/zinc/23/25/90/777232590.db2.gz UCFBHFPJACCXGS-SCZZXKLOSA-N 1 0 305.287 2.028 10 0 DEAERO C[C@@](O)(C[NH2+]C[C@@H]1CCOC1(C)C)C(F)(F)C(F)(F)F ZINC000724095248 777239664 /nfs/dbraw/zinc/23/96/64/777239664.db2.gz AMOCCXJEZBEGOR-WCBMZHEXSA-N 1 0 305.287 2.340 10 0 DEAERO COc1cccc(/C(C)=C\C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000588561882 777418547 /nfs/dbraw/zinc/41/85/47/777418547.db2.gz QBUQRFBDDJTECP-OWBHPGMISA-N 1 0 300.402 2.405 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC(O)C3)CN(C(=O)OC(C)(C)C)C1 ZINC000724916889 777520126 /nfs/dbraw/zinc/52/01/26/777520126.db2.gz DUYMMEQSFHEXCZ-QBMKOXDISA-N 1 0 310.438 2.135 10 0 DEAERO COc1ccc(C[NH2+][C@H]2CC23CC(O)C3)c(Br)c1 ZINC000724948526 777532326 /nfs/dbraw/zinc/53/23/26/777532326.db2.gz YEHUVZKTJKCPDD-AWAWDMARSA-N 1 0 312.207 2.461 10 0 DEAERO FC(F)(F)[C@@H]1CC[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)O1 ZINC000722380099 778679248 /nfs/dbraw/zinc/67/92/48/778679248.db2.gz OMKPJNPCFGFWTM-RYUDHWBXSA-N 1 0 309.328 2.372 10 0 DEAERO CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000722500912 778743472 /nfs/dbraw/zinc/74/34/72/778743472.db2.gz FREHXODLFKEGEV-KBPBESRZSA-N 1 0 324.425 2.048 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c1C ZINC000722563767 778783265 /nfs/dbraw/zinc/78/32/65/778783265.db2.gz BFEYMUATNUYXDP-LBPRGKRZSA-N 1 0 302.465 2.094 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CCC(C[NH3+])CC2)c1C ZINC000722567801 778788659 /nfs/dbraw/zinc/78/86/59/778788659.db2.gz ORMHRTJTDVVJPQ-UHFFFAOYSA-N 1 0 302.465 2.033 10 0 DEAERO Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721850790 787324258 /nfs/dbraw/zinc/32/42/58/787324258.db2.gz SKOXTADPWVPOPC-GFCCVEGCSA-N 1 0 308.426 2.155 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000722600071 787334980 /nfs/dbraw/zinc/33/49/80/787334980.db2.gz URAKGGBJBGDXCD-OLZOCXBDSA-N 1 0 314.476 2.188 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000722632239 787335662 /nfs/dbraw/zinc/33/56/62/787335662.db2.gz XSPPTQFPMFXFOO-UBDQQSCGSA-N 1 0 316.445 2.032 10 0 DEAERO C[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC1(O)CCCC1 ZINC000724043857 787347744 /nfs/dbraw/zinc/34/77/44/787347744.db2.gz XDZLMRLOMOYFKG-VIFPVBQESA-N 1 0 305.287 2.172 10 0 DEAERO C[C@](O)(C[NH2+]C[C@@H]1CCC(C)(C)O1)C(F)(F)C(F)(F)F ZINC000724079678 787348283 /nfs/dbraw/zinc/34/82/83/787348283.db2.gz SABZCQBKGQJIDC-WPRPVWTQSA-N 1 0 305.287 2.482 10 0 DEAERO CC(C)(C)OC(=O)N1CCN(CCC[NH2+]Cc2ccoc2)CC1 ZINC000218324514 789522971 /nfs/dbraw/zinc/52/29/71/789522971.db2.gz CKGIIIVXQNXSGQ-UHFFFAOYSA-N 1 0 323.437 2.312 10 0 DEAERO CCS(=O)(=O)CC[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000398047201 790243062 /nfs/dbraw/zinc/24/30/62/790243062.db2.gz CNIUDRCMAWEFRP-KRWDZBQOSA-N 1 0 324.490 2.065 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2Br)C[C@H](C)O1 ZINC000712461582 792189114 /nfs/dbraw/zinc/18/91/14/792189114.db2.gz RSVSATJRBHESPT-DOFRTFSJSA-N 1 0 302.216 2.228 10 0 DEAERO CCC[C@]1([NH2+]Cc2cn(C)nc2Br)CCOC1 ZINC000712491955 792190422 /nfs/dbraw/zinc/19/04/22/792190422.db2.gz SYPGTATWEPQQRU-LBPRGKRZSA-N 1 0 302.216 2.231 10 0 DEAERO Cn1cc(C[NH2+]C2(CCO)CCCCC2)c(Br)n1 ZINC000712498196 792190978 /nfs/dbraw/zinc/19/09/78/792190978.db2.gz JGINPBGMEQDYHV-UHFFFAOYSA-N 1 0 316.243 2.358 10 0 DEAERO Cn1cc(C[NH2+]CCCOCC2CC2)c(Br)n1 ZINC000712481192 792191069 /nfs/dbraw/zinc/19/10/69/792191069.db2.gz GXSYSLIPZMYHLC-UHFFFAOYSA-N 1 0 302.216 2.089 10 0 DEAERO Cc1nn(C)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000713304438 792219758 /nfs/dbraw/zinc/21/97/58/792219758.db2.gz LYKFWGRLRPSSPZ-BBRMVZONSA-N 1 0 312.417 2.435 10 0 DEAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@H](COCc3ccccc3)C2)C1 ZINC000713379986 792221322 /nfs/dbraw/zinc/22/13/22/792221322.db2.gz ZMOUAQYFTOVGEI-IMBTUZDBSA-N 1 0 314.429 2.179 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000713621209 792241450 /nfs/dbraw/zinc/24/14/50/792241450.db2.gz LLVYWEKDVJHOCJ-SNVBAGLBSA-N 1 0 316.243 2.477 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000713621206 792241549 /nfs/dbraw/zinc/24/15/49/792241549.db2.gz LLVYWEKDVJHOCJ-JTQLQIEISA-N 1 0 316.243 2.477 10 0 DEAERO [NH3+]C[C@@H]1C[C@H](c2nc(-c3ccc(Br)cc3)no2)CO1 ZINC000714090269 792284996 /nfs/dbraw/zinc/28/49/96/792284996.db2.gz ZIUQWFDJCKPWGY-ONGXEEELSA-N 1 0 324.178 2.330 10 0 DEAERO COc1cc(C[NH2+]CC[C@H]2CCCS2(=O)=O)ccc1Cl ZINC000714350149 792309896 /nfs/dbraw/zinc/30/98/96/792309896.db2.gz CCYHNUUTQZJOBU-GFCCVEGCSA-N 1 0 317.838 2.406 10 0 DEAERO CCC1([NH3+])CCN(S(=O)(=O)c2cc(C)ccc2F)CC1 ZINC000714749949 792334661 /nfs/dbraw/zinc/33/46/61/792334661.db2.gz JFKPCOIBXJKVIW-UHFFFAOYSA-N 1 0 300.399 2.026 10 0 DEAERO CC(C)CC[C@@H]([NH3+])C(=O)NCc1ncc(Br)s1 ZINC000714944577 792360993 /nfs/dbraw/zinc/36/09/93/792360993.db2.gz RVBYLGRSINSHHG-MRVPVSSYSA-N 1 0 320.256 2.285 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)NCc1ncc(Br)s1 ZINC000714943418 792361387 /nfs/dbraw/zinc/36/13/87/792361387.db2.gz LQQKNQONQRWLPY-SNVBAGLBSA-N 1 0 306.229 2.039 10 0 DEAERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715093046 792381997 /nfs/dbraw/zinc/38/19/97/792381997.db2.gz WOPKQAWYNKQAQC-LBPRGKRZSA-N 1 0 316.442 2.421 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000715390088 792448727 /nfs/dbraw/zinc/44/87/27/792448727.db2.gz SCOGBEANVNRCDJ-ZWNOBZJWSA-N 1 0 314.227 2.230 10 0 DEAERO C[C@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(S(N)(=O)=O)cc1 ZINC000715628390 792481033 /nfs/dbraw/zinc/48/10/33/792481033.db2.gz ZIOLMRYPVLOOJN-AAEUAGOBSA-N 1 0 314.476 2.270 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)c1cn(C)nn1 ZINC000715841118 792513105 /nfs/dbraw/zinc/51/31/05/792513105.db2.gz ZDNYACMKGLTBBU-AGIUHOORSA-N 1 0 323.441 2.111 10 0 DEAERO C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)c1cn(C)nn1 ZINC000715835251 792526395 /nfs/dbraw/zinc/52/63/95/792526395.db2.gz GZYJGQSMXXOYIS-AGIUHOORSA-N 1 0 323.441 2.111 10 0 DEAERO C[C@@H](C[NH2+]Cc1cnn(-c2ccccc2)n1)CC1(C)OCCO1 ZINC000716020488 792553621 /nfs/dbraw/zinc/55/36/21/792553621.db2.gz IHZJKYGKPWGWSF-CQSZACIVSA-N 1 0 316.405 2.146 10 0 DEAERO Cc1cc(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000716447391 792959563 /nfs/dbraw/zinc/95/95/63/792959563.db2.gz PFARSKMRETYQCC-FZMZJTMJSA-N 1 0 308.426 2.453 10 0 DEAERO COCC[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619791 792978792 /nfs/dbraw/zinc/97/87/92/792978792.db2.gz HWCXXLAXXNRPHY-RDGPPVDQSA-N 1 0 318.461 2.027 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000716642379 792983499 /nfs/dbraw/zinc/98/34/99/792983499.db2.gz VTTDPLJIRDZGMK-QMMMGPOBSA-N 1 0 315.211 2.468 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]CC[C@@H](O)C(F)F)CCCN1C(=O)OC(C)(C)C ZINC000716765918 793006657 /nfs/dbraw/zinc/00/66/57/793006657.db2.gz QZLZQPOEZDILGJ-GRYCIOLGSA-N 1 0 322.396 2.380 10 0 DEAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000716830996 793007899 /nfs/dbraw/zinc/00/78/99/793007899.db2.gz QBLWRRREUCVFOZ-MNOVXSKESA-N 1 0 319.854 2.383 10 0 DEAERO CN(C)c1cccc([C@H]2CCC[N@@H+]2CN2CCOC2=S)c1 ZINC000117864828 799027296 /nfs/dbraw/zinc/02/72/96/799027296.db2.gz LJUATJAYXLNNJK-OAHLLOKOSA-N 1 0 305.447 2.464 10 0 DEAERO Cc1nn(C)c(C[NH2+]C[C@@H]2CC(C)(C)CO2)c1Br ZINC000717513744 799419268 /nfs/dbraw/zinc/41/92/68/799419268.db2.gz YODJHEXTSDWFTR-JTQLQIEISA-N 1 0 316.243 2.396 10 0 DEAERO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+][C@@H](CO)C2CCC2)C1 ZINC000717593445 799425575 /nfs/dbraw/zinc/42/55/75/799425575.db2.gz LPKMASHPHGVSGF-SJORKVTESA-N 1 0 318.417 2.148 10 0 DEAERO CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401728156 801846481 /nfs/dbraw/zinc/84/64/81/801846481.db2.gz MUOAKMVBYOIECH-MGPQQGTHSA-N 1 0 300.443 2.238 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCn2cccn2)CN(C(=O)OC(C)(C)C)C1 ZINC000401754350 801848758 /nfs/dbraw/zinc/84/87/58/801848758.db2.gz ZRXBGAHEZBASMU-UONOGXRCSA-N 1 0 308.426 2.118 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCc2cn[nH]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401802804 801852827 /nfs/dbraw/zinc/85/28/27/801852827.db2.gz OKFYERVQZFIYSZ-JSGCOSHPSA-N 1 0 308.426 2.187 10 0 DEAERO C[C@H](Nc1nccnc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000402805653 801910639 /nfs/dbraw/zinc/91/06/39/801910639.db2.gz BOUQUWQVEUATQY-DZGCQCFKSA-N 1 0 300.381 2.360 10 0 DEAERO [NH3+]CC1(CCNS(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000404570172 802023985 /nfs/dbraw/zinc/02/39/85/802023985.db2.gz HJPRFPAGLJIIAX-YHYXMXQVSA-N 1 0 314.838 2.359 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn[nH]c2)C12CCC2 ZINC000405337764 802052527 /nfs/dbraw/zinc/05/25/27/802052527.db2.gz GICYKHGTLPDZDG-OLZOCXBDSA-N 1 0 306.410 2.335 10 0 DEAERO COc1cc(C[NH2+]CCc2ccccn2)cc(OC)c1OC ZINC000057681526 1078754578 /nfs/dbraw/zinc/75/45/78/1078754578.db2.gz SWBHLERXRNNLIA-UHFFFAOYSA-N 1 0 302.374 2.440 10 0 DEAERO O=C(Cc1cccs1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062713178 1074983680 /nfs/dbraw/zinc/98/36/80/1074983680.db2.gz CVOIZKRIBKBSRN-OAHLLOKOSA-N 1 0 300.427 2.334 10 0 DEAERO CC(=O)N1CCN(CC[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000067699191 1079900392 /nfs/dbraw/zinc/90/03/92/1079900392.db2.gz IHRVFJMYCMBFGC-UHFFFAOYSA-N 1 0 311.429 2.094 10 0 DEAERO CCC1([NH3+])CCN(S(=O)(=O)CCC(C)(C)C2CC2)CC1 ZINC000717912172 1081751210 /nfs/dbraw/zinc/75/12/10/1081751210.db2.gz GUULBDYVVOSCTA-UHFFFAOYSA-N 1 0 302.484 2.346 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)CCC(C)(C)C2CC2)C1 ZINC000717936565 1081819448 /nfs/dbraw/zinc/81/94/48/1081819448.db2.gz JKTPIEPCTNJFBC-QWHCGFSZSA-N 1 0 302.484 2.202 10 0 DEAERO C[C@H]1CCN(S(=O)(=O)CCC(C)(C)C2CC2)C[C@@H]1C[NH3+] ZINC000717976411 1081855281 /nfs/dbraw/zinc/85/52/81/1081855281.db2.gz OJHIQKJTMLSRJL-STQMWFEESA-N 1 0 302.484 2.059 10 0 DEAERO C[C@H]1C[C@H]1C[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000721939219 1084713884 /nfs/dbraw/zinc/71/38/84/1084713884.db2.gz BNBXUMVDAZOHLB-KBPBESRZSA-N 1 0 311.470 2.221 10 0 DEAERO O=C(N[C@@H]1CCCN2CCSC[C@@H]12)c1cc(Cl)ccn1 ZINC000720513570 1085282057 /nfs/dbraw/zinc/28/20/57/1085282057.db2.gz WPNDUXDSOOCILL-YPMHNXCESA-N 1 0 311.838 2.045 10 0 DEAERO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1C ZINC000720835922 1086198968 /nfs/dbraw/zinc/19/89/68/1086198968.db2.gz QEFVBXNPDIJJGT-UHFFFAOYSA-N 1 0 304.843 2.267 10 0 DEAERO O=C(c1ncccc1Br)N1CCC([NH+]2CCC2)CC1 ZINC000700412411 1086317866 /nfs/dbraw/zinc/31/78/66/1086317866.db2.gz GDDQYOKZPNHKLS-UHFFFAOYSA-N 1 0 324.222 2.154 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)/C=C/c2ccc(Br)o2)C[NH2+]1 ZINC000700610873 1086321591 /nfs/dbraw/zinc/32/15/91/1086321591.db2.gz KHYZDCTWTMTOOE-NDDURPPSSA-N 1 0 313.195 2.312 10 0 DEAERO C=Cn1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)cn1 ZINC000700733966 1086332158 /nfs/dbraw/zinc/33/21/58/1086332158.db2.gz IMOUYFPQVIQSBV-OCCSQVGLSA-N 1 0 306.410 2.471 10 0 DEAERO c1ccc(CN2CCC[C@@H]([NH2+]CCOC3CCOCC3)C2)cc1 ZINC000701392868 1086363663 /nfs/dbraw/zinc/36/36/63/1086363663.db2.gz COTLOVZZLKEVDJ-GOSISDBHSA-N 1 0 318.461 2.436 10 0 DEAERO C[C@@H]1[C@H]([NH2+]CCOC2CCOCC2)CCN1Cc1ccccc1 ZINC000701391175 1086363809 /nfs/dbraw/zinc/36/38/09/1086363809.db2.gz VYPUELFLASMRLJ-VQIMIIECSA-N 1 0 318.461 2.435 10 0 DEAERO C[C@@]12CN(C(=O)CCCCO)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702116367 1086405409 /nfs/dbraw/zinc/40/54/09/1086405409.db2.gz YBTSDTYXQKNHCF-PKOBYXMFSA-N 1 0 316.445 2.130 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc([C@@H]2CCCOC2)no1 ZINC000702210912 1086414548 /nfs/dbraw/zinc/41/45/48/1086414548.db2.gz ZDBGVQSZFWPPHV-HUUCEWRRSA-N 1 0 316.405 2.095 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(Br)c3)C[C@]2(C)C1 ZINC000702376439 1086426472 /nfs/dbraw/zinc/42/64/72/1086426472.db2.gz SMQRNKMBBMPMRN-DOMZBBRYSA-N 1 0 323.234 2.473 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCSC(C)(C)C ZINC000702411896 1086431704 /nfs/dbraw/zinc/43/17/04/1086431704.db2.gz IECYHWJIWNXIDB-HNNXBMFYSA-N 1 0 323.506 2.094 10 0 DEAERO C[C@H]([NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)[C@@H]1CCCCO1 ZINC000703289516 1086492405 /nfs/dbraw/zinc/49/24/05/1086492405.db2.gz IPFHIHQPNSICER-AVGNSLFASA-N 1 0 300.399 2.085 10 0 DEAERO COC[C@@H](C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000704491425 1086582750 /nfs/dbraw/zinc/58/27/50/1086582750.db2.gz UUCAXMMKTXUGJV-ZBFHGGJFSA-N 1 0 306.406 2.270 10 0 DEAERO CC1([NH3+])CCN(c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000704546154 1086582939 /nfs/dbraw/zinc/58/29/39/1086582939.db2.gz MFDOCRSSFTYWQF-UHFFFAOYSA-N 1 0 304.362 2.001 10 0 DEAERO CC[C@@H]1[C@@H]([NH2+]Cc2cncnc2)CCN1C(=O)OC(C)(C)C ZINC000704618438 1086584808 /nfs/dbraw/zinc/58/48/08/1086584808.db2.gz AQQINUTUYVYEDQ-UONOGXRCSA-N 1 0 306.410 2.354 10 0 DEAERO C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000705216337 1086607005 /nfs/dbraw/zinc/60/70/05/1086607005.db2.gz DVGOGHFFSAFQBC-RDBSUJKOSA-N 1 0 310.438 2.401 10 0 DEAERO OCC[NH2+][C@@H]1CCCN(Cc2csc(Br)c2)C1 ZINC000708564634 1086681280 /nfs/dbraw/zinc/68/12/80/1086681280.db2.gz JYHZRZXJSJJHSY-LLVKDONJSA-N 1 0 319.268 2.057 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000709533657 1086682827 /nfs/dbraw/zinc/68/28/27/1086682827.db2.gz LYMDSTPPBYKVOG-ZDUSSCGKSA-N 1 0 320.524 2.066 10 0 DEAERO CS(=O)(=O)CCCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000709611043 1086683785 /nfs/dbraw/zinc/68/37/85/1086683785.db2.gz YTSIRAMPLOQATR-CQSZACIVSA-N 1 0 303.468 2.283 10 0 DEAERO C[C@H]1[C@H]([NH2+]CCCN2CCOC2=O)CCN1Cc1ccccc1 ZINC000709785479 1086684689 /nfs/dbraw/zinc/68/46/89/1086684689.db2.gz KNVZCPJQCJVPLW-DOTOQJQBSA-N 1 0 317.433 2.081 10 0 DEAERO Cc1cccc(S(=O)(=O)N(C)CCCCCC[NH3+])c1F ZINC000710714178 1086688851 /nfs/dbraw/zinc/68/88/51/1086688851.db2.gz ODZYIDWQQVRRPE-UHFFFAOYSA-N 1 0 302.415 2.274 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H](O)c2ccsc2)C1 ZINC000710876274 1086690655 /nfs/dbraw/zinc/69/06/55/1086690655.db2.gz QXTPHJKBDRGAIY-ZDUSSCGKSA-N 1 0 312.435 2.238 10 0 DEAERO COC[C@H](CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)OC ZINC000710604842 1086691154 /nfs/dbraw/zinc/69/11/54/1086691154.db2.gz WVZZXRZXFZZEQS-AWEZNQCLSA-N 1 0 316.442 2.027 10 0 DEAERO COC1(OC)CC[C@@H]1NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000710995318 1086692578 /nfs/dbraw/zinc/69/25/78/1086692578.db2.gz MHXNXDGKDGPPJZ-JQHSSLGASA-N 1 0 318.461 2.496 10 0 DEAERO C[C@@H]([NH2+]CCCCF)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711082579 1086693563 /nfs/dbraw/zinc/69/35/63/1086693563.db2.gz QVVQDWLAFGHKEP-CHWSQXEVSA-N 1 0 304.406 2.350 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H](CO)C2CCCC2)C1 ZINC000711399498 1087085274 /nfs/dbraw/zinc/08/52/74/1087085274.db2.gz GAZMKPISWGQWEV-CFVMTHIKSA-N 1 0 312.454 2.430 10 0 DEAERO CC(C)[C@H](CCO)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711488878 1087133936 /nfs/dbraw/zinc/13/39/36/1087133936.db2.gz AFSOYCNUSUJCHN-MJBXVCDLSA-N 1 0 300.443 2.286 10 0 DEAERO O=S(=O)(N[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(Cl)c1F ZINC000711583967 1087165191 /nfs/dbraw/zinc/16/51/91/1087165191.db2.gz LHBRCCJAHSWESE-YPMHNXCESA-N 1 0 318.801 2.042 10 0 DEAERO O=C(Cc1ccc(Br)cc1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711698152 1087191005 /nfs/dbraw/zinc/19/10/05/1087191005.db2.gz NFYVECSDHIBTKH-DZGCQCFKSA-N 1 0 323.234 2.392 10 0 DEAERO CCN1CC[C@H]1C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719215898 1088908352 /nfs/dbraw/zinc/90/83/52/1088908352.db2.gz JPVSDFLDIMZHJX-VIFPVBQESA-N 1 0 304.257 2.398 10 0 DEAERO C[C@@H]1[C@H](NC(=O)c2cccc(Br)c2F)CC[N@@H+]1C ZINC000719388422 1089072342 /nfs/dbraw/zinc/07/23/42/1089072342.db2.gz PUNULPKRVUODET-LDYMZIIASA-N 1 0 315.186 2.411 10 0 DEAERO CO[C@@]1(CO)CCC[N@H+](C[C@@H](C)COCc2ccccc2)C1 ZINC000719494621 1089276043 /nfs/dbraw/zinc/27/60/43/1089276043.db2.gz CFGBRVVNDNWLOW-AEFFLSMTSA-N 1 0 307.434 2.313 10 0 DEAERO C[NH2+]CCCCC(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000719669640 1092420574 /nfs/dbraw/zinc/42/05/74/1092420574.db2.gz YNFYFWHXNRLKBZ-INIZCTEOSA-N 1 0 303.450 2.109 10 0 DEAERO [NH3+][C@H]1CN(C(=O)c2cccnc2Cl)CC[C@H]1C(F)(F)F ZINC000717056618 1092517130 /nfs/dbraw/zinc/51/71/30/1092517130.db2.gz BPASZEMAISBQJI-BDAKNGLRSA-N 1 0 307.703 2.087 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000262762282 290603222 /nfs/dbraw/zinc/60/32/22/290603222.db2.gz JWXDDLRKVNXAOX-GZMMTYOYSA-N 1 0 323.245 2.270 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000278250031 214047832 /nfs/dbraw/zinc/04/78/32/214047832.db2.gz BWFBMGOPMYPALM-GUYCJALGSA-N 1 0 317.433 2.082 10 0 DEAERO CC(C)[C@@H](SCCS(C)(=O)=O)[C@H]([NH3+])c1ccccc1 ZINC000081768783 192322887 /nfs/dbraw/zinc/32/28/87/192322887.db2.gz DHCAEKVXLDKFKO-ZIAGYGMSSA-N 1 0 301.477 2.489 10 0 DEAERO C[NH+]1CCN(c2ccc(NC(=O)Nc3ccncc3)cc2)CC1 ZINC000074753532 185015871 /nfs/dbraw/zinc/01/58/71/185015871.db2.gz YJBBKPHOCDRCFZ-UHFFFAOYSA-N 1 0 311.389 2.477 10 0 DEAERO COc1cc(C[NH2+][C@@H](CO)c2ccccc2)cc2c1OCCO2 ZINC000076943385 185059722 /nfs/dbraw/zinc/05/97/22/185059722.db2.gz BSLQQBSZLJGGOX-HNNXBMFYSA-N 1 0 315.369 2.290 10 0 DEAERO CC[NH2+][C@H](CSc1nnnn1C)c1ccccc1OCC ZINC000081843750 192330656 /nfs/dbraw/zinc/33/06/56/192330656.db2.gz WKBPVPNLPUOWTA-GFCCVEGCSA-N 1 0 307.423 2.052 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2CCC[C@H]1Sc1nnnn1C ZINC000081845657 192332255 /nfs/dbraw/zinc/33/22/55/192332255.db2.gz HACXHFBYJBHYGX-KGLIPLIRSA-N 1 0 303.435 2.358 10 0 DEAERO CCCn1c(S[C@@H]2CCc3ccccc3[C@@H]2[NH3+])n[nH]c1=O ZINC000081879222 192333566 /nfs/dbraw/zinc/33/35/66/192333566.db2.gz KJWIESKPPNXLBB-OLZOCXBDSA-N 1 0 304.419 2.088 10 0 DEAERO CC[C@@H](Sc1n[nH]c(=O)n1C1CC1)[C@H]([NH3+])c1ccccc1 ZINC000081880281 192333747 /nfs/dbraw/zinc/33/37/47/192333747.db2.gz GUUFGUYFHDLEIW-CHWSQXEVSA-N 1 0 304.419 2.477 10 0 DEAERO CC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)Sc1n[nH]c(=O)n1C ZINC000081880480 192334181 /nfs/dbraw/zinc/33/41/81/192334181.db2.gz MZECDFNZHLATOA-WCQYABFASA-N 1 0 306.435 2.248 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1ccncn1)OCCO2 ZINC000081886886 192334413 /nfs/dbraw/zinc/33/44/13/192334413.db2.gz NHZGFXARHPHFQM-OLZOCXBDSA-N 1 0 309.435 2.233 10 0 DEAERO CCn1c(=O)[nH]nc1S[C@H](C)[C@@H]([NH2+]C)c1ccc(C)cc1 ZINC000081879861 192334578 /nfs/dbraw/zinc/33/45/78/192334578.db2.gz BHVDEWZRXIABEH-DGCLKSJQSA-N 1 0 306.435 2.341 10 0 DEAERO CCn1c(S[C@@H]2CCCc3ccccc3[C@H]2[NH3+])n[nH]c1=O ZINC000081879765 192334579 /nfs/dbraw/zinc/33/45/79/192334579.db2.gz QVPPTPNNJSTUMN-CHWSQXEVSA-N 1 0 304.419 2.088 10 0 DEAERO COc1cccc([C@H]([NH3+])CS(=O)(=O)c2ccc(F)cc2)c1 ZINC000081921384 192339128 /nfs/dbraw/zinc/33/91/28/192339128.db2.gz XWXZXPCZBZLTBK-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCC2(CCOC)CC2)CC1 ZINC000151552723 282119772 /nfs/dbraw/zinc/11/97/72/282119772.db2.gz QIZYZUYURWTQRP-UHFFFAOYSA-N 1 0 311.470 2.224 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)c1ccccc1F ZINC000081922858 192339867 /nfs/dbraw/zinc/33/98/67/192339867.db2.gz BPGLWWBYKFNAKZ-HZPDHXFCSA-N 1 0 305.374 2.485 10 0 DEAERO CCOc1ncccc1CNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425900263 230762298 /nfs/dbraw/zinc/76/22/98/230762298.db2.gz NGBDCMROYHOBLQ-UHFFFAOYSA-N 1 0 316.405 2.225 10 0 DEAERO COCCn1ncc(Br)c1C1=C[C@H]([NH3+])CCC1 ZINC000163299502 197621980 /nfs/dbraw/zinc/62/19/80/197621980.db2.gz LWVQRHZRQBMKQX-SNVBAGLBSA-N 1 0 300.200 2.187 10 0 DEAERO C[C@@H](O)C[C@H](C)c1c(Br)cnn1CC[NH+](C)C ZINC000163351058 197625768 /nfs/dbraw/zinc/62/57/68/197625768.db2.gz FERITNBPEVNTAK-VHSXEESVSA-N 1 0 304.232 2.082 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1S(=O)(=O)c1ccc(Br)cc1 ZINC000081934013 192340758 /nfs/dbraw/zinc/34/07/58/192340758.db2.gz XIXAFHJXBRVKNB-QWRGUYRKSA-N 1 0 304.209 2.103 10 0 DEAERO Cc1nccn1CC[NH+]1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000077121753 185111048 /nfs/dbraw/zinc/11/10/48/185111048.db2.gz HCTPUYIBSJRVHZ-UHFFFAOYSA-N 1 0 320.387 2.288 10 0 DEAERO CCC[C@H]([NH3+])CS(=O)(=O)c1ccc(Br)cc1 ZINC000081933205 192341693 /nfs/dbraw/zinc/34/16/93/192341693.db2.gz IXIALAKJZMWCQA-JTQLQIEISA-N 1 0 306.225 2.350 10 0 DEAERO CCC[NH2+][C@H](C)[C@H](C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935184 192342382 /nfs/dbraw/zinc/34/23/82/192342382.db2.gz UUXGNSZTZYKAKC-NEPJUHHUSA-N 1 0 313.419 2.008 10 0 DEAERO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(N)c(Br)c1 ZINC000078892643 185124231 /nfs/dbraw/zinc/12/42/31/185124231.db2.gz LWTPODCBPRAYPT-SECBINFHSA-N 1 0 314.227 2.101 10 0 DEAERO Cn1cc(C[N@H+](C)Cc2ccc(N)c(Br)c2)cn1 ZINC000078897169 185124905 /nfs/dbraw/zinc/12/49/05/185124905.db2.gz XPIUVPHIEKKDAA-UHFFFAOYSA-N 1 0 309.211 2.397 10 0 DEAERO CCC[NH2+][C@@H](C)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935607 192343090 /nfs/dbraw/zinc/34/30/90/192343090.db2.gz FTKTUYXXWNFLRT-LBPRGKRZSA-N 1 0 313.419 2.010 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)CC1 ZINC000079308592 185164385 /nfs/dbraw/zinc/16/43/85/185164385.db2.gz BBZPQLQUGXCOTE-AWEZNQCLSA-N 1 0 310.463 2.487 10 0 DEAERO COC(=O)C[C@H](NC(=O)CC[C@H](C)CC[NH3+])c1cccs1 ZINC000079190559 185161385 /nfs/dbraw/zinc/16/13/85/185161385.db2.gz DBVBAYARKKPZQY-RYUDHWBXSA-N 1 0 312.435 2.234 10 0 DEAERO CCC[C@H](CC[NH3+])CCC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000079237522 185162178 /nfs/dbraw/zinc/16/21/78/185162178.db2.gz YWVOJMLGCIFECX-KBPBESRZSA-N 1 0 300.443 2.236 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCOc1ccccc1 ZINC000079254148 185162476 /nfs/dbraw/zinc/16/24/76/185162476.db2.gz TUVBJYSHCBOIGL-OAHLLOKOSA-N 1 0 307.438 2.437 10 0 DEAERO CC(C)[NH2+][C@@](CSc1ccc(Cl)cn1)(C(N)=O)C1CC1 ZINC000079447795 185171989 /nfs/dbraw/zinc/17/19/89/185171989.db2.gz QEQMVPIKSIRFBQ-CQSZACIVSA-N 1 0 313.854 2.459 10 0 DEAERO CC[C@H](CC[NH3+])S(=O)(=O)c1ccccc1Br ZINC000082790211 185203518 /nfs/dbraw/zinc/20/35/18/185203518.db2.gz QLKZSMIPELRYMW-SECBINFHSA-N 1 0 306.225 2.350 10 0 DEAERO CC[C@]1(CO)CCC[N@H+](Cc2ccccc2C(=O)N(C)C)C1 ZINC000417983674 529425424 /nfs/dbraw/zinc/42/54/24/529425424.db2.gz CJKGBKMBPKCNMX-SFHVURJKSA-N 1 0 304.434 2.373 10 0 DEAERO CCOc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000153714041 282173375 /nfs/dbraw/zinc/17/33/75/282173375.db2.gz CGDYNRCQEKSTER-ZFWWWQNUSA-N 1 0 318.421 2.428 10 0 DEAERO C[NH2+][C@](C)(CO)CCSc1ccc(Br)cn1 ZINC000082905396 185209507 /nfs/dbraw/zinc/20/95/07/185209507.db2.gz KRQJRQOWBNVZMM-NSHDSACASA-N 1 0 305.241 2.297 10 0 DEAERO CCC[NH2+][C@H](CO)CSc1ccc(Br)cn1 ZINC000082905404 185209512 /nfs/dbraw/zinc/20/95/12/185209512.db2.gz NXNNLUUGXNRIKT-SNVBAGLBSA-N 1 0 305.241 2.297 10 0 DEAERO C[C@@](O)(C[NH3+])CCCSc1ccc(Br)cn1 ZINC000082917614 185209531 /nfs/dbraw/zinc/20/95/31/185209531.db2.gz ZXPISCCMPQADHB-NSHDSACASA-N 1 0 305.241 2.426 10 0 DEAERO Cc1nc(C)c(C[NH2+][C@@H]2CCCN(c3ncc[nH]c3=O)C2)s1 ZINC000328631304 231267517 /nfs/dbraw/zinc/26/75/17/231267517.db2.gz KHCIUDNRKZZGNX-GFCCVEGCSA-N 1 0 319.434 2.014 10 0 DEAERO C[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)C(C)(C)C[NH+](C)C ZINC000173046820 282185308 /nfs/dbraw/zinc/18/53/08/282185308.db2.gz FSIJISHIOZVDDA-LBPRGKRZSA-N 1 0 324.469 2.392 10 0 DEAERO CC(C)c1nnsc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000087442902 185225224 /nfs/dbraw/zinc/22/52/24/185225224.db2.gz IDGCKTRTRBHWGV-LBPRGKRZSA-N 1 0 308.451 2.266 10 0 DEAERO C[C@@H]1CC[C@H](C)N(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000173146549 282187238 /nfs/dbraw/zinc/18/72/38/282187238.db2.gz NDJOFWDIGZNWCD-PMPSAXMXSA-N 1 0 323.481 2.317 10 0 DEAERO [NH3+]CCc1cc(Cl)ccc1Sc1n[nH]c(=O)n1C1CC1 ZINC000165503513 197677052 /nfs/dbraw/zinc/67/70/52/197677052.db2.gz WLVPNFOBWXFHEN-UHFFFAOYSA-N 1 0 310.810 2.212 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000087515566 185227382 /nfs/dbraw/zinc/22/73/82/185227382.db2.gz RSCBGDQMIQSELU-ZDUSSCGKSA-N 1 0 309.841 2.364 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)NCc1sccc1Br ZINC000087575812 185228788 /nfs/dbraw/zinc/22/87/88/185228788.db2.gz BDMKWWLZRLTMJQ-MRVPVSSYSA-N 1 0 303.225 2.126 10 0 DEAERO CC(C)([NH3+])C(C)(C)C(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000087628030 185229485 /nfs/dbraw/zinc/22/94/85/185229485.db2.gz WHLBOKMCLLHNIG-QWHCGFSZSA-N 1 0 314.495 2.263 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCCNC(=O)C1 ZINC000087883142 185234462 /nfs/dbraw/zinc/23/44/62/185234462.db2.gz XJHNHKNRUCPDPZ-TVQRCGJNSA-N 1 0 301.843 2.002 10 0 DEAERO Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000247170676 282191793 /nfs/dbraw/zinc/19/17/93/282191793.db2.gz VHXAIHKXEHZJDX-XHSDSOJGSA-N 1 0 319.453 2.139 10 0 DEAERO C[C@]1(CNc2nc(NN)[nH+]cc2Br)CCCS1 ZINC000087896511 185235687 /nfs/dbraw/zinc/23/56/87/185235687.db2.gz PVCWZFORTNTZNW-SNVBAGLBSA-N 1 0 318.244 2.222 10 0 DEAERO COc1ccc(Br)cc1C[C@@](C)(C[NH3+])[C@H](C)O ZINC000087932058 185237583 /nfs/dbraw/zinc/23/75/83/185237583.db2.gz NFHPIWGFYLGNCH-ZANVPECISA-N 1 0 302.212 2.346 10 0 DEAERO C[NH2+][C@H]1CCCN(c2ccc(Br)c(F)c2)C1=O ZINC000088085378 185239084 /nfs/dbraw/zinc/23/90/84/185239084.db2.gz KOQXHSKXTPWCJP-NSHDSACASA-N 1 0 301.159 2.303 10 0 DEAERO C[C@H](C[NH3+])C[S@](=O)Cc1cc(F)cc(Br)c1 ZINC000088089305 185239386 /nfs/dbraw/zinc/23/93/86/185239386.db2.gz HWKBGHRKXMYTBW-VPTHRUTESA-N 1 0 308.216 2.432 10 0 DEAERO Brc1ccc2nnc(CCC3CC[NH2+]CC3)n2c1 ZINC000087846818 185233077 /nfs/dbraw/zinc/23/30/77/185233077.db2.gz TWPZAGNDFHNHJV-UHFFFAOYSA-N 1 0 309.211 2.424 10 0 DEAERO C[NH2+][C@H](Cc1cc(Br)ccc1F)[C@@H]1COCCO1 ZINC000087857663 185233673 /nfs/dbraw/zinc/23/36/73/185233673.db2.gz ZKIMPCZPFRBFMO-OLZOCXBDSA-N 1 0 318.186 2.134 10 0 DEAERO CC(C)CN(c1nc(NN)[nH+]cc1Br)C1CC1 ZINC000087866684 185233971 /nfs/dbraw/zinc/23/39/71/185233971.db2.gz UXIQUMGENPBQPD-UHFFFAOYSA-N 1 0 300.204 2.150 10 0 DEAERO CC[NH2+][C@H]1CCCc2c(OCCCS(C)(=O)=O)cccc21 ZINC000088151941 185240577 /nfs/dbraw/zinc/24/05/77/185240577.db2.gz SNONPKXHVYISCX-HNNXBMFYSA-N 1 0 311.447 2.487 10 0 DEAERO CC[NH2+][C@@H]1CCCc2c(O[C@H]3CCS(=O)(=O)C3)cccc21 ZINC000088152018 185240598 /nfs/dbraw/zinc/24/05/98/185240598.db2.gz NGGTVZBWEZXEDO-SWLSCSKDSA-N 1 0 309.431 2.239 10 0 DEAERO O=C1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@@H](C2CC2)N1 ZINC000328907566 231383260 /nfs/dbraw/zinc/38/32/60/231383260.db2.gz LQFOERLSZQXNPT-RDTXWAMCSA-N 1 0 316.401 2.487 10 0 DEAERO CCC[NH2+][C@@H]1CCN(c2c3nsnc3ccc2Cl)C1=O ZINC000088120680 185240026 /nfs/dbraw/zinc/24/00/26/185240026.db2.gz CKUMQJDFJDSSRC-SNVBAGLBSA-N 1 0 310.810 2.450 10 0 DEAERO [NH3+]C[C@H]1CC(=O)N(c2c3nsnc3c(Cl)cc2Cl)C1 ZINC000088127987 185240370 /nfs/dbraw/zinc/24/03/70/185240370.db2.gz IQDSRVPNDZXVLQ-RXMQYKEDSA-N 1 0 317.201 2.310 10 0 DEAERO Cc1nccn1-c1cncc(NCC2([NH+](C)C)CCCC2)n1 ZINC000329145653 282200100 /nfs/dbraw/zinc/20/01/00/282200100.db2.gz NVHJFSKSMCZFKV-UHFFFAOYSA-N 1 0 300.410 2.257 10 0 DEAERO COc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1Br ZINC000088321807 185245852 /nfs/dbraw/zinc/24/58/52/185245852.db2.gz SNYRVTBVESXVIE-WPRPVWTQSA-N 1 0 313.195 2.252 10 0 DEAERO C[C@@H](C[NH3+])S(=O)(=O)Nc1ccccc1Cc1ccccc1 ZINC000088472174 185252193 /nfs/dbraw/zinc/25/21/93/185252193.db2.gz NEBIRTTYLJWAGA-ZDUSSCGKSA-N 1 0 304.415 2.366 10 0 DEAERO CN(CCC(F)(F)F)C[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000088418222 185249084 /nfs/dbraw/zinc/24/90/84/185249084.db2.gz AUDQKBLOYWPTSP-LLVKDONJSA-N 1 0 304.312 2.342 10 0 DEAERO CN[C@](C)(C[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000088435532 185250415 /nfs/dbraw/zinc/25/04/15/185250415.db2.gz YUYXQXOFVMFROW-ZWNOBZJWSA-N 1 0 310.360 2.190 10 0 DEAERO CC[NH2+][C@](C)(CCC[NH+]1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000088435552 185250473 /nfs/dbraw/zinc/25/04/73/185250473.db2.gz IFBCZOMFDSNKIN-CYBMUJFWSA-N 1 0 310.360 2.494 10 0 DEAERO [NH3+]C[C@](O)(CN1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000088439775 185250657 /nfs/dbraw/zinc/25/06/57/185250657.db2.gz OLOGXUCWZRKQHW-KBPBESRZSA-N 1 0 302.340 2.107 10 0 DEAERO Cc1nn(C)c(N2CCC(C(F)(F)F)CC2)c1C[C@@H](C)[NH3+] ZINC000088439417 185250794 /nfs/dbraw/zinc/25/07/94/185250794.db2.gz XXMOKJWVGCFGTE-SECBINFHSA-N 1 0 304.360 2.397 10 0 DEAERO C[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000088516368 185254524 /nfs/dbraw/zinc/25/45/24/185254524.db2.gz FGTCOOCMZSXUEB-DGCLKSJQSA-N 1 0 316.492 2.496 10 0 DEAERO CCC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088541959 185256007 /nfs/dbraw/zinc/25/60/07/185256007.db2.gz AMAMBIZPZJGNPJ-GFCCVEGCSA-N 1 0 302.440 2.492 10 0 DEAERO CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088543220 185256188 /nfs/dbraw/zinc/25/61/88/185256188.db2.gz ZDMOVBJGTAUISI-AAEUAGOBSA-N 1 0 300.424 2.246 10 0 DEAERO COCCCS(=O)(=O)[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000081986039 192348830 /nfs/dbraw/zinc/34/88/30/192348830.db2.gz DLTQWHAUQSTCQN-JYJNAYRXSA-N 1 0 311.447 2.101 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)CCCOC ZINC000081986162 192348863 /nfs/dbraw/zinc/34/88/63/192348863.db2.gz YRUUUTKNXHGDNM-HOTGVXAUSA-N 1 0 311.447 2.103 10 0 DEAERO CC[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(C[NH2+]C)o2)C1 ZINC000088551456 185257523 /nfs/dbraw/zinc/25/75/23/185257523.db2.gz XHLZQNGJFYXYTN-NEPJUHHUSA-N 1 0 300.424 2.246 10 0 DEAERO CC[NH2+][C@@H](Cc1ncnn1C)Cc1ccc(Br)cc1 ZINC000088581728 185258610 /nfs/dbraw/zinc/25/86/10/185258610.db2.gz JYVKGHWOOXXEEA-CYBMUJFWSA-N 1 0 323.238 2.341 10 0 DEAERO Nc1c2cc3ccccc3nc2sc1C(=O)NCCC[NH3+] ZINC000088642910 185261244 /nfs/dbraw/zinc/26/12/44/185261244.db2.gz NDNGOPXDRSNKKG-UHFFFAOYSA-N 1 0 300.387 2.110 10 0 DEAERO CC[NH+](CC)CCSCC(=O)Nc1ccc(OC)cc1N ZINC000088733961 185263613 /nfs/dbraw/zinc/26/36/13/185263613.db2.gz ZJCAAHIYEYXTBE-UHFFFAOYSA-N 1 0 311.451 2.291 10 0 DEAERO CC[NH+](CC)CCSCC(=O)Nc1ccc(N)cc1OC ZINC000088734077 185263742 /nfs/dbraw/zinc/26/37/42/185263742.db2.gz ROWBGTYGRDZBMU-UHFFFAOYSA-N 1 0 311.451 2.291 10 0 DEAERO COCCCS(=O)(=O)C[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000081985224 192349806 /nfs/dbraw/zinc/34/98/06/192349806.db2.gz DNOKQIHNODBYTN-INIZCTEOSA-N 1 0 307.415 2.291 10 0 DEAERO Cc1cc(C)c([C@H]([NH3+])CS(=O)(=O)C2CCOCC2)c(C)c1 ZINC000081989440 192350222 /nfs/dbraw/zinc/35/02/22/192350222.db2.gz YAVVAPZNFPRRAP-OAHLLOKOSA-N 1 0 311.447 2.205 10 0 DEAERO CCc1ccc([C@H]([NH3+])[C@@H](C)S(=O)(=O)C2CCOCC2)cc1 ZINC000081989759 192350445 /nfs/dbraw/zinc/35/04/45/192350445.db2.gz AAISSSNPYWDYSA-MLGOLLRUSA-N 1 0 311.447 2.231 10 0 DEAERO CC[C@@H]([C@H]([NH2+]C)c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000081989819 192350836 /nfs/dbraw/zinc/35/08/36/192350836.db2.gz WANRGNCJJDLSAD-JKSUJKDBSA-N 1 0 311.447 2.320 10 0 DEAERO COC(=O)c1c(F)cccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000179221422 282219580 /nfs/dbraw/zinc/21/95/80/282219580.db2.gz DKMZSVFSZCCSAU-UHFFFAOYSA-N 1 0 323.368 2.170 10 0 DEAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000178312434 282217078 /nfs/dbraw/zinc/21/70/78/282217078.db2.gz CTOTUSMAVXIXDS-HLLBOEOZSA-N 1 0 318.465 2.160 10 0 DEAERO [NH3+][C@H]1CCC2(C[C@@H]1[S@](=O)c1cccc(Cl)c1)OCCO2 ZINC000081993771 192352040 /nfs/dbraw/zinc/35/20/40/192352040.db2.gz ILOATSWIQUSXGH-QAJFTPDKSA-N 1 0 315.822 2.071 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)CCCOC)c1ccc(C)cc1C ZINC000082005954 192352927 /nfs/dbraw/zinc/35/29/27/192352927.db2.gz KBYWVSVQPWVCDN-MRXNPFEDSA-N 1 0 313.463 2.405 10 0 DEAERO C[C@](O)(CO)C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000090286695 185289488 /nfs/dbraw/zinc/28/94/88/185289488.db2.gz DNVAHMPAPQEZGE-UXUKBGGZSA-N 1 0 314.223 2.028 10 0 DEAERO CCN(C(=O)c1cc(F)ccc1Br)C1C[NH2+]C1 ZINC000090291130 185289616 /nfs/dbraw/zinc/28/96/16/185289616.db2.gz WTVUPDQTPDLMFR-UHFFFAOYSA-N 1 0 301.159 2.022 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000090293261 185289862 /nfs/dbraw/zinc/28/98/62/185289862.db2.gz GSOOEUDELZDRCW-UHFFFAOYSA-N 1 0 322.352 2.078 10 0 DEAERO CC(C)([NH3+])CSCC(=O)NC(=O)c1ccccc1Cl ZINC000090358569 185292317 /nfs/dbraw/zinc/29/23/17/185292317.db2.gz JHEYLPLNGSZWBM-UHFFFAOYSA-N 1 0 300.811 2.067 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000090364353 185292878 /nfs/dbraw/zinc/29/28/78/185292878.db2.gz JGNJKGUCKPJVHU-ONGXEEELSA-N 1 0 314.172 2.408 10 0 DEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)NC[C@@H](C)[S@](C)=O)c1 ZINC000166178639 197689590 /nfs/dbraw/zinc/68/95/90/197689590.db2.gz COGQVPFORUTNNZ-JWCBKOKGSA-N 1 0 311.451 2.246 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1ccccc1SCC(F)(F)F ZINC000090380237 185293753 /nfs/dbraw/zinc/29/37/53/185293753.db2.gz KGWLQTZXUIXIEL-IUCAKERBSA-N 1 0 320.336 2.253 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000090379823 185293801 /nfs/dbraw/zinc/29/38/01/185293801.db2.gz UGHDQSIRUPYDLE-JGVFFNPUSA-N 1 0 306.309 2.211 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000090434115 185296265 /nfs/dbraw/zinc/29/62/65/185296265.db2.gz HPAWBYLTZFVHFI-MFKMUULPSA-N 1 0 305.765 2.061 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000090434553 185296416 /nfs/dbraw/zinc/29/64/16/185296416.db2.gz NMMRCPIVAFGNPA-ZWNOBZJWSA-N 1 0 317.216 2.186 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(SC(F)F)cc2)COC[C@H]1[NH3+] ZINC000090585432 185305095 /nfs/dbraw/zinc/30/50/95/185305095.db2.gz IXXBDEMFALRKIZ-MFKMUULPSA-N 1 0 302.346 2.304 10 0 DEAERO C[C@@]1(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)COC[C@@H]1[NH3+] ZINC000090592009 185305675 /nfs/dbraw/zinc/30/56/75/185305675.db2.gz KFPPDRUYVLNKPB-GOEBONIOSA-N 1 0 308.809 2.195 10 0 DEAERO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090592334 185305819 /nfs/dbraw/zinc/30/58/19/185305819.db2.gz DOIFDGDWDUDZHP-GDBMZVCRSA-N 1 0 310.825 2.441 10 0 DEAERO C[C@]1(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)COC[C@@H]1[NH3+] ZINC000090592004 185305840 /nfs/dbraw/zinc/30/58/40/185305840.db2.gz KFPPDRUYVLNKPB-HOCLYGCPSA-N 1 0 308.809 2.195 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(Cl)ccc1F ZINC000090539989 185301713 /nfs/dbraw/zinc/30/17/13/185301713.db2.gz CPOKZEJODBMRLC-ZWNOBZJWSA-N 1 0 300.761 2.432 10 0 DEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)NCc1ccccc1 ZINC000090700234 185310651 /nfs/dbraw/zinc/31/06/51/185310651.db2.gz SLHQMPFMMFMMAS-OAHLLOKOSA-N 1 0 307.463 2.265 10 0 DEAERO [NH3+]CCc1ccc(CNc2ncncc2Br)cc1 ZINC000090781634 185311867 /nfs/dbraw/zinc/31/18/67/185311867.db2.gz BYPABFADENGPOW-UHFFFAOYSA-N 1 0 307.195 2.352 10 0 DEAERO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000090666087 185308739 /nfs/dbraw/zinc/30/87/39/185308739.db2.gz HCPSTTLTUIZAEG-JTQLQIEISA-N 1 0 320.359 2.176 10 0 DEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1Sc1nncn1C ZINC000092389752 185315576 /nfs/dbraw/zinc/31/55/76/185315576.db2.gz ODKFEHRHCSHKLK-KGLIPLIRSA-N 1 0 304.419 2.191 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)[C@@H](OC)C1CCCCC1 ZINC000167323448 197707303 /nfs/dbraw/zinc/70/73/03/197707303.db2.gz NYTUZRRAPPKSPM-GJZGRUSLSA-N 1 0 305.484 2.385 10 0 DEAERO Cc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)ccc1-n1cncn1 ZINC000092615985 185328839 /nfs/dbraw/zinc/32/88/39/185328839.db2.gz FYYULPLFZPYTBQ-QGZVFWFLSA-N 1 0 311.433 2.246 10 0 DEAERO CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CC[C@@H](C)O3)c2)CC1 ZINC000184258682 282249789 /nfs/dbraw/zinc/24/97/89/282249789.db2.gz IOISASWDBOEKRO-RHSMWYFYSA-N 1 0 317.433 2.335 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(C(N)=S)cc1F ZINC000092629120 185330426 /nfs/dbraw/zinc/33/04/26/185330426.db2.gz UQORIPZTWKYYHZ-CQSZACIVSA-N 1 0 309.454 2.376 10 0 DEAERO CCC[C@@H](C(=O)Nc1nc(-c2nccn2C)cs1)[NH+](C)C ZINC000092762823 185338658 /nfs/dbraw/zinc/33/86/58/185338658.db2.gz LKDUMMHGCSWCFV-NSHDSACASA-N 1 0 307.423 2.212 10 0 DEAERO CC1(C)C(CNS(=O)(=O)c2ccc(F)c(C[NH3+])c2)C1(C)C ZINC000092817190 185344080 /nfs/dbraw/zinc/34/40/80/185344080.db2.gz OWQFDDHEJBQSFJ-UHFFFAOYSA-N 1 0 314.426 2.245 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC2C(C)(C)C2(C)C)c(F)c1 ZINC000092833336 185345035 /nfs/dbraw/zinc/34/50/35/185345035.db2.gz DHBUPRYWPAQFHO-UHFFFAOYSA-N 1 0 314.426 2.258 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](S(=O)(=O)C1CCCCC1)C2 ZINC000092859258 185346925 /nfs/dbraw/zinc/34/69/25/185346925.db2.gz ONDDXXVOFYJATO-HZPDHXFCSA-N 1 0 309.431 2.367 10 0 DEAERO CC[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1Sc1n[nH]c(C)n1 ZINC000092860889 185347260 /nfs/dbraw/zinc/34/72/60/185347260.db2.gz HGJVWPWEBTVMEO-KBPBESRZSA-N 1 0 304.419 2.489 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)C12CCOCC2 ZINC000186271262 282271355 /nfs/dbraw/zinc/27/13/55/282271355.db2.gz WJOJPPJKOUTQRI-XLAORIBOSA-N 1 0 317.429 2.209 10 0 DEAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc(Br)ccc1F ZINC000092956115 185350277 /nfs/dbraw/zinc/35/02/77/185350277.db2.gz LZPQFLVOBCXGRY-KCJUWKMLSA-N 1 0 315.186 2.202 10 0 DEAERO CC[NH2+][C@H](CCN1CCOC[C@@H]1CO)c1cccc(Cl)c1 ZINC000168984732 197731744 /nfs/dbraw/zinc/73/17/44/197731744.db2.gz XIYNKLQLBQYHJN-JKSUJKDBSA-N 1 0 312.841 2.074 10 0 DEAERO CCc1ncc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)s1 ZINC000037924451 539335399 /nfs/dbraw/zinc/33/53/99/539335399.db2.gz ZFUJHIPYWLSVSR-LBPRGKRZSA-N 1 0 303.435 2.254 10 0 DEAERO CC(C)[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000181612315 199327352 /nfs/dbraw/zinc/32/73/52/199327352.db2.gz VNPWPJHDEZEANG-CQSZACIVSA-N 1 0 320.405 2.191 10 0 DEAERO COc1ccc(Cl)cc1C[C@@H]([NH3+])C[C@H]1CCS(=O)(=O)C1 ZINC000097057963 185404724 /nfs/dbraw/zinc/40/47/24/185404724.db2.gz RYPSNCISOPQHLB-MFKMUULPSA-N 1 0 317.838 2.043 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1 ZINC000042693232 190671828 /nfs/dbraw/zinc/67/18/28/190671828.db2.gz OTQYWPBINNMSQE-UHFFFAOYSA-N 1 0 306.387 2.092 10 0 DEAERO C[C@H]1CCCC[C@H]1CNS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000042869232 190672135 /nfs/dbraw/zinc/67/21/35/190672135.db2.gz GIRHUJHOHNJJGI-KKUMJFAQSA-N 1 0 302.484 2.264 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnc(Cl)cn1 ZINC000192846196 282344394 /nfs/dbraw/zinc/34/43/94/282344394.db2.gz BYRNSMBIXJKZQJ-LBPRGKRZSA-N 1 0 318.808 2.380 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000089451659 539411145 /nfs/dbraw/zinc/41/11/45/539411145.db2.gz UYTSZVLEXLAMGJ-UWVGGRQHSA-N 1 0 310.781 2.425 10 0 DEAERO c1nc2c(c(NC3CC[NH+]([C@H]4CCOC4)CC3)n1)CCCCC2 ZINC000089602760 539412008 /nfs/dbraw/zinc/41/20/08/539412008.db2.gz XQCDBZZDJHRUPX-HNNXBMFYSA-N 1 0 316.449 2.411 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(C)(C)c1ccncc1 ZINC000091701759 539420275 /nfs/dbraw/zinc/42/02/75/539420275.db2.gz FMWFOPSNRXLVSR-AWEZNQCLSA-N 1 0 306.454 2.389 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2ccncc2)CC[N@@H+]1C ZINC000092362427 539425393 /nfs/dbraw/zinc/42/53/93/539425393.db2.gz YJFFYYZXIORQFD-ZBFHGGJFSA-N 1 0 318.465 2.483 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CCc2ccccc21 ZINC000245417756 282386110 /nfs/dbraw/zinc/38/61/10/282386110.db2.gz GGLBXAXADKQFAV-IRXDYDNUSA-N 1 0 313.445 2.134 10 0 DEAERO C(C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1)OC1CCOCC1 ZINC000625485014 365804176 /nfs/dbraw/zinc/80/41/76/365804176.db2.gz QXLQWSBFNGONLD-KRWDZBQOSA-N 1 0 309.450 2.463 10 0 DEAERO CC[C@@](C)(O)C[NH2+]Cc1ccc(I)o1 ZINC000083463159 192370402 /nfs/dbraw/zinc/37/04/02/192370402.db2.gz JSIJXIINRODEOA-SNVBAGLBSA-N 1 0 309.147 2.135 10 0 DEAERO Cc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000245540524 282396074 /nfs/dbraw/zinc/39/60/74/282396074.db2.gz IKFCPLQSWDBKHI-LZLYRXPVSA-N 1 0 307.434 2.218 10 0 DEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000136307915 539517419 /nfs/dbraw/zinc/51/74/19/539517419.db2.gz AYWXCCBAOGAJLI-AWEZNQCLSA-N 1 0 309.841 2.362 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)NC[C@@]1(C)CCCO1)c1ccccc1 ZINC000153838912 539546995 /nfs/dbraw/zinc/54/69/95/539546995.db2.gz SOUYNRJZKXFAOH-DOTOQJQBSA-N 1 0 305.422 2.158 10 0 DEAERO CCC1(CC)[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)[C@@H](C)[C@H]1OC ZINC000248737422 282526326 /nfs/dbraw/zinc/52/63/26/282526326.db2.gz COTRZDOFFRLSOA-REWJHTLYSA-N 1 0 305.484 2.096 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000248842941 282532190 /nfs/dbraw/zinc/53/21/90/282532190.db2.gz GRMXNFIPBGWMMW-UHOFOFEASA-N 1 0 308.397 2.217 10 0 DEAERO [NH3+][C@@H](CC(=O)Nc1ccc(OCC(F)(F)F)nc1)C1CC1 ZINC000123655632 185829749 /nfs/dbraw/zinc/82/97/49/185829749.db2.gz AHNYQYUKODWWRK-JTQLQIEISA-N 1 0 303.284 2.089 10 0 DEAERO C[C@@H](O)C(C)(C)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000161141424 539589133 /nfs/dbraw/zinc/58/91/33/539589133.db2.gz HALWYVGXXFLBDE-MRVPVSSYSA-N 1 0 316.195 2.427 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)c1ccc(F)cc1Br ZINC000070120010 190858934 /nfs/dbraw/zinc/85/89/34/190858934.db2.gz ABQMBBSTOQYKPP-JTQLQIEISA-N 1 0 315.186 2.460 10 0 DEAERO COC[C@@H](C)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000253295755 282597831 /nfs/dbraw/zinc/59/78/31/282597831.db2.gz RXIBOULAZZIBLQ-SOUVJXGZSA-N 1 0 307.438 2.067 10 0 DEAERO Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)C2)c1 ZINC000168369981 539611728 /nfs/dbraw/zinc/61/17/28/539611728.db2.gz NFMPQXFNAWUQEQ-SJLPKXTDSA-N 1 0 324.428 2.242 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](c2cnno2)C1 ZINC000616601910 362896628 /nfs/dbraw/zinc/89/66/28/362896628.db2.gz LUOCCOLFBNFUKU-LBPRGKRZSA-N 1 0 310.398 2.164 10 0 DEAERO CC(C)(C)OC(=O)NCC[NH+]1CCC(c2cccnc2N)CC1 ZINC000616608490 362897824 /nfs/dbraw/zinc/89/78/24/362897824.db2.gz AHBJABOGRMLGFI-UHFFFAOYSA-N 1 0 320.437 2.368 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2ccnnc2)C1 ZINC000616621547 362898917 /nfs/dbraw/zinc/89/89/17/362898917.db2.gz SARJYRYMYIZWQS-AWEZNQCLSA-N 1 0 306.410 2.181 10 0 DEAERO C[C@@H]([NH3+])Cc1c(Cl)cccc1-n1ccc(C(=O)N(C)C)n1 ZINC000070328889 190881386 /nfs/dbraw/zinc/88/13/86/190881386.db2.gz MRGSDEBYONWMHN-SNVBAGLBSA-N 1 0 306.797 2.117 10 0 DEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccc(CCO)cc1 ZINC000616635410 362901906 /nfs/dbraw/zinc/90/19/06/362901906.db2.gz AVPYNYFNOWRIKT-OAHLLOKOSA-N 1 0 306.406 2.103 10 0 DEAERO C[C@H]1CCCCCN1S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000070411211 190887034 /nfs/dbraw/zinc/88/70/34/190887034.db2.gz BIONCNCVMKGMCM-NSHDSACASA-N 1 0 302.465 2.203 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000175400087 539624023 /nfs/dbraw/zinc/62/40/23/539624023.db2.gz IRTAMNZIKFKUCV-SWLSCSKDSA-N 1 0 315.417 2.105 10 0 DEAERO CCc1nn(C)cc1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000179945272 539643434 /nfs/dbraw/zinc/64/34/34/539643434.db2.gz ROXUELFFWBLZLN-CQSZACIVSA-N 1 0 320.481 2.355 10 0 DEAERO C[NH2+]Cc1ccc(OCCOCCOC)c(Br)c1 ZINC000070480457 190900353 /nfs/dbraw/zinc/90/03/53/190900353.db2.gz QLYLAJXYCDCYFJ-UHFFFAOYSA-N 1 0 318.211 2.210 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccsc3)C2=O)n(C)n1 ZINC000080526943 192164944 /nfs/dbraw/zinc/16/49/44/192164944.db2.gz KJCICPXYXXWODC-ZDUSSCGKSA-N 1 0 304.419 2.075 10 0 DEAERO CC(C)NC(=O)[C@@H](C)Oc1ccc(C[NH3+])cc1Br ZINC000070579959 190907854 /nfs/dbraw/zinc/90/78/54/190907854.db2.gz JXRDCXAWLXRVSF-SECBINFHSA-N 1 0 315.211 2.200 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2c(C)n[nH]c2C)[C@H](C)C1 ZINC000183323190 539662262 /nfs/dbraw/zinc/66/22/62/539662262.db2.gz CJUUGARSZDVORF-XUJVJEKNSA-N 1 0 306.454 2.319 10 0 DEAERO FC(F)(F)COc1ccc(CC[NH2+][C@@H]2CCCOC2)cn1 ZINC000186747715 539676709 /nfs/dbraw/zinc/67/67/09/539676709.db2.gz WXPOGFSWZQPCET-GFCCVEGCSA-N 1 0 304.312 2.334 10 0 DEAERO COCCN(CCC[NH3+])C(=O)c1ccc(C(F)(F)F)cc1 ZINC000071222932 190944707 /nfs/dbraw/zinc/94/47/07/190944707.db2.gz QOKUFMSDOQTAIR-UHFFFAOYSA-N 1 0 304.312 2.143 10 0 DEAERO CCCN(C1(C[NH3+])CCCCCC1)S(=O)(=O)CCCOC ZINC000071233551 190947045 /nfs/dbraw/zinc/94/70/45/190947045.db2.gz DUUMIVJWZUUIDZ-UHFFFAOYSA-N 1 0 320.499 2.116 10 0 DEAERO Cc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccn1C ZINC000192547790 539707997 /nfs/dbraw/zinc/70/79/97/539707997.db2.gz OJVBFBVKBKVLJE-PBHICJAKSA-N 1 0 301.434 2.422 10 0 DEAERO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC([NH+](C)C)CC1 ZINC000193817915 539715563 /nfs/dbraw/zinc/71/55/63/539715563.db2.gz AVOSOYHPCGVVPZ-CQSZACIVSA-N 1 0 321.440 2.371 10 0 DEAERO CCC1(CC)C[NH2+][C@H](CC(C)C)CN1CCCS(C)(=O)=O ZINC000071351967 190962364 /nfs/dbraw/zinc/96/23/64/190962364.db2.gz BATXUNWCLVBBIE-OAHLLOKOSA-N 1 0 318.527 2.300 10 0 DEAERO CC[C@](C)(O)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000083799443 192384023 /nfs/dbraw/zinc/38/40/23/192384023.db2.gz QMFDOLRLBCTBIE-BBRMVZONSA-N 1 0 300.443 2.384 10 0 DEAERO Cc1ccc([S@@](=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)cc1C ZINC000083998150 192395730 /nfs/dbraw/zinc/39/57/30/192395730.db2.gz LCMONPSJVSLLDQ-ZSDSOXJFSA-N 1 0 309.431 2.034 10 0 DEAERO C[C@@H]1CN(c2ncc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000229553131 539732940 /nfs/dbraw/zinc/73/29/40/539732940.db2.gz MDWYEGDRRCOSJY-KCJUWKMLSA-N 1 0 302.191 2.370 10 0 DEAERO CCC(C)(C)[C@@H]1CC[C@@H](C[NH3+])[C@H](S(=O)(=O)CCOC)C1 ZINC000084270575 192418427 /nfs/dbraw/zinc/41/84/27/192418427.db2.gz JVJXXXDPTFHUNI-BFHYXJOUSA-N 1 0 305.484 2.227 10 0 DEAERO CCc1ccccc1CNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000084201234 192412301 /nfs/dbraw/zinc/41/23/01/192412301.db2.gz HIKUELRFRHQHRF-UHFFFAOYSA-N 1 0 304.415 2.186 10 0 DEAERO CCOC(=O)CCN(CCCC[NH+](CC)CC)C(=O)C1CC1 ZINC000071604629 190992053 /nfs/dbraw/zinc/99/20/53/190992053.db2.gz FDZFIBPVJZYJPM-UHFFFAOYSA-N 1 0 312.454 2.300 10 0 DEAERO COc1cc2c(c(F)c1)CN(Cc1c(C)nn(C)c1C)[C@H]2C[NH3+] ZINC000071683469 191007528 /nfs/dbraw/zinc/00/75/28/191007528.db2.gz ULUSOWMFOXZQGP-KRWDZBQOSA-N 1 0 318.396 2.200 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1cccc(Br)c1N ZINC000071697793 191008037 /nfs/dbraw/zinc/00/80/37/191008037.db2.gz XNMOETHEXJRGNZ-UHFFFAOYSA-N 1 0 314.227 2.103 10 0 DEAERO COc1ccc(Cl)c2c1CN(Cc1cnn(C)c1)[C@@H]2C[NH3+] ZINC000071684015 191008588 /nfs/dbraw/zinc/00/85/88/191008588.db2.gz KHROYPXGCOHSDQ-CYBMUJFWSA-N 1 0 306.797 2.098 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000133609284 185999580 /nfs/dbraw/zinc/99/95/80/185999580.db2.gz ARGISAGQQGUOCF-CVEARBPZSA-N 1 0 309.454 2.073 10 0 DEAERO CS(=O)(=O)Nc1ccc(Cl)c(N[C@H]2CCC[NH2+]CC2)c1 ZINC000133671803 186005216 /nfs/dbraw/zinc/00/52/16/186005216.db2.gz MEYPVDCADSNVPC-JTQLQIEISA-N 1 0 317.842 2.266 10 0 DEAERO CC[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000245874998 539759216 /nfs/dbraw/zinc/75/92/16/539759216.db2.gz GVNPXHDHOQSNQP-ULQDDVLXSA-N 1 0 304.434 2.233 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)C(C)C)c1 ZINC000138334490 186015991 /nfs/dbraw/zinc/01/59/91/186015991.db2.gz BIPWCFHZWVXLFV-UHFFFAOYSA-N 1 0 320.405 2.493 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)NC2CCCCC2)c1 ZINC000138587001 186017936 /nfs/dbraw/zinc/01/79/36/186017936.db2.gz WILMKJXJAVVRFX-UHFFFAOYSA-N 1 0 318.389 2.295 10 0 DEAERO CCC[NH2+][C@@H](C)c1ccc(OC)cc1OCCS(C)(=O)=O ZINC000138547094 186017964 /nfs/dbraw/zinc/01/79/64/186017964.db2.gz SKNAASQMRGMXEN-LBPRGKRZSA-N 1 0 315.435 2.179 10 0 DEAERO [NH3+][C@H]1CC[C@H](c2nc(-c3ncccc3Br)no2)C1 ZINC000139853884 186024563 /nfs/dbraw/zinc/02/45/63/186024563.db2.gz VMTFYGKDMTVNAX-YUMQZZPRSA-N 1 0 309.167 2.489 10 0 DEAERO CCCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116320071 535114356 /nfs/dbraw/zinc/11/43/56/535114356.db2.gz KJBYFLUUJYECNM-CABCVRRESA-N 1 0 306.454 2.294 10 0 DEAERO Cc1ccc([C@H]2NC3(CC3)C(=O)N2C2CC[NH+](C)CC2)s1 ZINC000141194761 186029197 /nfs/dbraw/zinc/02/91/97/186029197.db2.gz SIJKXRVXRYDUNL-AWEZNQCLSA-N 1 0 305.447 2.114 10 0 DEAERO C[C@H](Cc1ccccc1)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000182026327 199375956 /nfs/dbraw/zinc/37/59/56/199375956.db2.gz ILACRTWOVRDJGR-OAHLLOKOSA-N 1 0 301.434 2.355 10 0 DEAERO CCCN(CCC)[C@]1(C[NH3+])CCS(=O)(=O)c2ccccc21 ZINC000147635970 186040561 /nfs/dbraw/zinc/04/05/61/186040561.db2.gz GKEVCLXRXDRDKA-INIZCTEOSA-N 1 0 310.463 2.140 10 0 DEAERO [NH3+]CC1(CC(=O)Nc2cc3c(cc2Cl)NC(=O)C3)CCC1 ZINC000147664998 186040610 /nfs/dbraw/zinc/04/06/10/186040610.db2.gz HGQFXJLRXKEQCY-UHFFFAOYSA-N 1 0 307.781 2.292 10 0 DEAERO O=S(=O)(NCC(F)F)c1ccc(Cl)c(C[NH2+]C2CC2)c1 ZINC000148193380 186043550 /nfs/dbraw/zinc/04/35/50/186043550.db2.gz NPNMFBJIPYMIQC-UHFFFAOYSA-N 1 0 324.780 2.135 10 0 DEAERO Cc1ccc([C@@H]2NC3(CC3)C(=O)N2[C@H]2CCC[N@@H+](C)C2)s1 ZINC000142817541 186032662 /nfs/dbraw/zinc/03/26/62/186032662.db2.gz WCWHNGYVKHYUHW-GXTWGEPZSA-N 1 0 305.447 2.114 10 0 DEAERO Cc1cc(OCCN2CC[NH+](C)CC2)ccc1Br ZINC000143852724 186034128 /nfs/dbraw/zinc/03/41/28/186034128.db2.gz FDHCFYRZQATXPY-UHFFFAOYSA-N 1 0 313.239 2.384 10 0 DEAERO Cc1ccc([C@@H]2NCC(=O)N2[C@@H](CC(C)C)C[NH+](C)C)s1 ZINC000143962135 186034391 /nfs/dbraw/zinc/03/43/91/186034391.db2.gz CCMQFIGKVRXNBI-XJKSGUPXSA-N 1 0 309.479 2.463 10 0 DEAERO CC[C@@H]1N[C@H](c2cccs2)N(C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000144234688 186034862 /nfs/dbraw/zinc/03/48/62/186034862.db2.gz LQXIORLZIYQVJO-IPYPFGDCSA-N 1 0 307.463 2.299 10 0 DEAERO CCCC[C@@H]1N[C@H](c2ccsc2)N([C@@H]2CC[N@H+](C)C2)C1=O ZINC000145240999 186036845 /nfs/dbraw/zinc/03/68/45/186036845.db2.gz WOWDNUAKNVJYNO-ILXRZTDVSA-N 1 0 307.463 2.441 10 0 DEAERO Cc1ccc([C@H]2NCC(=O)N2C[C@@H](C)[NH+]2CCCCC2)s1 ZINC000145700240 186038078 /nfs/dbraw/zinc/03/80/78/186038078.db2.gz OYPVRGSOEGRIGV-WBMJQRKESA-N 1 0 307.463 2.361 10 0 DEAERO CC[NH2+][C@@H](c1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000150147225 186055164 /nfs/dbraw/zinc/05/51/64/186055164.db2.gz FIDPZPIVEIPWIZ-RISCZKNCSA-N 1 0 317.838 2.434 10 0 DEAERO CC(C)N(CCC(N)=[NH2+])S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000149606039 186051650 /nfs/dbraw/zinc/05/16/50/186051650.db2.gz BXQSRQSXFFJTHU-CYBMUJFWSA-N 1 0 311.451 2.156 10 0 DEAERO C[C@@H](CS(=O)(=O)NC[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000149593105 186052079 /nfs/dbraw/zinc/05/20/79/186052079.db2.gz DDMWEYZBAQTAKB-BPUTZDHNSA-N 1 0 310.463 2.227 10 0 DEAERO C[C@@H](C[NH3+])CC(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000149691705 186052469 /nfs/dbraw/zinc/05/24/69/186052469.db2.gz NCDCYSOMZOZLOO-GHMZBOCLSA-N 1 0 313.239 2.481 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC[C@H]2CCCS2)cc1 ZINC000150031929 186053932 /nfs/dbraw/zinc/05/39/32/186053932.db2.gz ODAPTXPOPBALSF-WCQYABFASA-N 1 0 314.476 2.141 10 0 DEAERO CCC[C@](O)(C[NH3+])Cc1c(Br)c(CC)nn1CC ZINC000150029899 186054029 /nfs/dbraw/zinc/05/40/29/186054029.db2.gz CJTIZOULALSXFI-CYBMUJFWSA-N 1 0 318.259 2.260 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000150152621 186054692 /nfs/dbraw/zinc/05/46/92/186054692.db2.gz WMGPDFVASNSXBP-BXUZGUMPSA-N 1 0 319.829 2.434 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000150113555 186054835 /nfs/dbraw/zinc/05/48/35/186054835.db2.gz HFZHVVIFTZYMLD-IRXDYDNUSA-N 1 0 307.459 2.131 10 0 DEAERO CCOc1cc2c(cc1CNC(=O)[C@H]([NH3+])[C@H](C)CC)O[C@@H](C)C2 ZINC000150757697 186064400 /nfs/dbraw/zinc/06/44/00/186064400.db2.gz QDMOIIIQPINQJE-BWACUDIHSA-N 1 0 320.433 2.398 10 0 DEAERO c1cc(C[NH2+][C@@H]2CCCSC2)c(OC[C@H]2CCOC2)cn1 ZINC000287133993 219335277 /nfs/dbraw/zinc/33/52/77/219335277.db2.gz AICOBCSAGXPZFK-DZGCQCFKSA-N 1 0 308.447 2.482 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000155675108 186101758 /nfs/dbraw/zinc/10/17/58/186101758.db2.gz FLCHZSDZQLKNFD-TXEJJXNPSA-N 1 0 303.381 2.401 10 0 DEAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1c(C)onc1CC ZINC000155777362 186111803 /nfs/dbraw/zinc/11/18/03/186111803.db2.gz IMUAUROFSBUKLE-LBPRGKRZSA-N 1 0 312.414 2.024 10 0 DEAERO COCCn1ncc(Br)c1[C@H](F)C1CC[NH2+]CC1 ZINC000163994777 186145176 /nfs/dbraw/zinc/14/51/76/186145176.db2.gz GUPVLEALOPROHQ-LLVKDONJSA-N 1 0 320.206 2.302 10 0 DEAERO Fc1ccc(COC[C@H]2C[NH2+]CCO2)cc1Br ZINC000164012077 186146088 /nfs/dbraw/zinc/14/60/88/186146088.db2.gz YLADHSHTTVLISA-SNVBAGLBSA-N 1 0 304.159 2.093 10 0 DEAERO CCC[C@@](F)(C[NH3+])c1c(Br)cnn1CCOC ZINC000164035148 186146225 /nfs/dbraw/zinc/14/62/25/186146225.db2.gz FBPQFVYFLPLSJK-LLVKDONJSA-N 1 0 308.195 2.216 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc(F)c(Br)c2)O1 ZINC000164051030 186147210 /nfs/dbraw/zinc/14/72/10/186147210.db2.gz SPXIMQNTVHIQBO-GZMMTYOYSA-N 1 0 317.158 2.033 10 0 DEAERO COc1ccc(C[NH2+]C[C@H](C)[S@](C)=O)cc1Br ZINC000159714916 186136885 /nfs/dbraw/zinc/13/68/85/186136885.db2.gz QCANMSOULHSQPM-HUTHGQBESA-N 1 0 320.252 2.314 10 0 DEAERO CCOC(=O)[C@H](NCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC000163859544 186140250 /nfs/dbraw/zinc/14/02/50/186140250.db2.gz AJCMBRLDZUKLKE-CYBMUJFWSA-N 1 0 302.777 2.235 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC000163880672 186141090 /nfs/dbraw/zinc/14/10/90/186141090.db2.gz OQZAWJNFDUFMNT-GFCCVEGCSA-N 1 0 312.822 2.488 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(CCO)CCOC ZINC000164208139 186152105 /nfs/dbraw/zinc/15/21/05/186152105.db2.gz OYHWDFADXLVBNN-HUUCEWRRSA-N 1 0 300.830 2.059 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@]1(CC)CC[NH2+]C1 ZINC000164258845 186153811 /nfs/dbraw/zinc/15/38/11/186153811.db2.gz QDDCBVTUVVADNC-GFCCVEGCSA-N 1 0 300.200 2.238 10 0 DEAERO C[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccc(C)cc1Br ZINC000164305660 186155125 /nfs/dbraw/zinc/15/51/25/186155125.db2.gz WEPGYCUKJGNYOG-UONOGXRCSA-N 1 0 313.239 2.349 10 0 DEAERO CC(C)(C)c1nc(NCCOCC(F)(F)F)cc(NN)[nH+]1 ZINC000164315985 186155689 /nfs/dbraw/zinc/15/56/89/186155689.db2.gz VBDJWXBCXWMOBS-UHFFFAOYSA-N 1 0 307.320 2.051 10 0 DEAERO CC1(O)CCN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)CC1 ZINC000164312698 186155765 /nfs/dbraw/zinc/15/57/65/186155765.db2.gz CWOGEYFNGPBLRG-UHFFFAOYSA-N 1 0 301.312 2.341 10 0 DEAERO C[C@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000164357706 186157712 /nfs/dbraw/zinc/15/77/12/186157712.db2.gz JTEAEMGZTBEEHO-RYUDHWBXSA-N 1 0 305.447 2.380 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000164372272 186157715 /nfs/dbraw/zinc/15/77/15/186157715.db2.gz MFMMHNNHVRTKFU-GFCCVEGCSA-N 1 0 300.200 2.380 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2nnc(C(F)F)s2)CC[N@@H+]1C ZINC000175647392 186184776 /nfs/dbraw/zinc/18/47/76/186184776.db2.gz ZPLMLOVFXCYJGJ-SFYZADRCSA-N 1 0 319.381 2.422 10 0 DEAERO CC(C)NC(=O)CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179733460 186211630 /nfs/dbraw/zinc/21/16/30/186211630.db2.gz JENAEEVHAGJXNO-SFHVURJKSA-N 1 0 318.417 2.413 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)Cc2cncs2)ccc1F ZINC000188006829 186243044 /nfs/dbraw/zinc/24/30/44/186243044.db2.gz UPMOQZXIJXOGOO-UHFFFAOYSA-N 1 0 307.394 2.203 10 0 DEAERO CC(C)[C@H]([NH2+]CC(=O)NC(N)=O)c1cccc(C(F)(F)F)c1 ZINC000181897092 186216210 /nfs/dbraw/zinc/21/62/10/186216210.db2.gz MOQNDHJJZAXWGH-LBPRGKRZSA-N 1 0 317.311 2.187 10 0 DEAERO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181911115 186217663 /nfs/dbraw/zinc/21/76/63/186217663.db2.gz GZKNJHSIDXSXMV-ZIAGYGMSSA-N 1 0 315.421 2.173 10 0 DEAERO C[C@H](NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)c1cccs1 ZINC000253246957 186300169 /nfs/dbraw/zinc/30/01/69/186300169.db2.gz SKPWHUMYBVSHHZ-GKSGUAPZSA-N 1 0 308.447 2.458 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C[C@H]1[NH3+] ZINC000333843991 282981363 /nfs/dbraw/zinc/98/13/63/282981363.db2.gz VQXMYUVXQZOCIR-NRMKKVEVSA-N 1 0 311.788 2.324 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C)cc1OC ZINC000171908398 198005967 /nfs/dbraw/zinc/00/59/67/198005967.db2.gz GSBDDNZQZUIRPS-AWEZNQCLSA-N 1 0 321.421 2.236 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccnc(Cl)c2)CC1 ZINC000171922494 198008733 /nfs/dbraw/zinc/00/87/33/198008733.db2.gz LGQMGBWEYPKCIM-MRXNPFEDSA-N 1 0 322.884 2.337 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000172059837 198033016 /nfs/dbraw/zinc/03/30/16/198033016.db2.gz XQXJBPQXNAQPPB-CRAIPNDOSA-N 1 0 324.428 2.110 10 0 DEAERO C[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CCCC1 ZINC000172191906 198055610 /nfs/dbraw/zinc/05/56/10/198055610.db2.gz YENCARFHCMJJMG-HNNXBMFYSA-N 1 0 323.481 2.319 10 0 DEAERO FC(F)(F)c1ccc(CNc2ncnc3c2CC[NH2+]CC3)cn1 ZINC000072419839 191157080 /nfs/dbraw/zinc/15/70/80/191157080.db2.gz UJCLFBNBUYCLQT-UHFFFAOYSA-N 1 0 323.322 2.191 10 0 DEAERO C[C@@H]1CN2C(=[NH+]CC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000300047834 539860356 /nfs/dbraw/zinc/86/03/56/539860356.db2.gz UUIZFFMFURAGBK-HZSPNIEDSA-N 1 0 322.453 2.056 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1cncc(F)c1 ZINC000329326643 539918234 /nfs/dbraw/zinc/91/82/34/539918234.db2.gz JMHFRXNCWRAUNS-RCBQFDQVSA-N 1 0 321.396 2.041 10 0 DEAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1 ZINC000329014453 539913431 /nfs/dbraw/zinc/91/34/31/539913431.db2.gz JKPBJODRYJXUKY-HOPMXRPOSA-N 1 0 316.449 2.393 10 0 DEAERO Cn1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C2CC2)n1 ZINC000292092984 222833580 /nfs/dbraw/zinc/83/35/80/222833580.db2.gz QXWQUYYNIDYPEP-GXTWGEPZSA-N 1 0 303.410 2.046 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC000173261344 198202931 /nfs/dbraw/zinc/20/29/31/198202931.db2.gz GJXUXZICTHXNEU-IUODEOHRSA-N 1 0 314.426 2.177 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000173265208 198203956 /nfs/dbraw/zinc/20/39/56/198203956.db2.gz KETJCZJFJBDNDW-GWCFXTLKSA-N 1 0 318.389 2.068 10 0 DEAERO C[C@@H](C(=O)N1CCO[C@@H](c2nccs2)C1)[NH+]1CCCCCC1 ZINC000173271734 198204148 /nfs/dbraw/zinc/20/41/48/198204148.db2.gz VWIUVSLIZUPZPT-UONOGXRCSA-N 1 0 323.462 2.308 10 0 DEAERO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000333099094 539948639 /nfs/dbraw/zinc/94/86/39/539948639.db2.gz ANKQPHJAYXNYHK-QAPCUYQASA-N 1 0 315.417 2.449 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000173236478 198199226 /nfs/dbraw/zinc/19/92/26/198199226.db2.gz MQNHXRMULIAZGO-VXGBXAGGSA-N 1 0 311.813 2.259 10 0 DEAERO Cc1ccccc1NC(=O)CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000173365811 198207245 /nfs/dbraw/zinc/20/72/45/198207245.db2.gz MTDACKRIMSZIRE-JKSUJKDBSA-N 1 0 301.434 2.492 10 0 DEAERO CCN(CCC[NH2+]C[C@H](C)Cc1ccccc1)S(C)(=O)=O ZINC000182055060 199380180 /nfs/dbraw/zinc/38/01/80/199380180.db2.gz OMPYYBYJDQEUTI-OAHLLOKOSA-N 1 0 312.479 2.126 10 0 DEAERO Cc1cc(NC(=O)CC[N@@H+]2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)no1 ZINC000333634625 539966340 /nfs/dbraw/zinc/96/63/40/539966340.db2.gz AWRCLXOQRZGFDI-FHIRATQRSA-N 1 0 303.406 2.680 10 0 DEAERO C[NH+](C)C1CCC(Nc2ncnc3c2ncn3C2CC2)CC1 ZINC000333735193 539970791 /nfs/dbraw/zinc/97/07/91/539970791.db2.gz WVACLYUNSYAIOC-UHFFFAOYSA-N 1 0 300.410 2.446 10 0 DEAERO Cc1csc([C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C2CC2)n1 ZINC000173914412 198267795 /nfs/dbraw/zinc/26/77/95/198267795.db2.gz IOOWLHVFDRZKBR-QWHCGFSZSA-N 1 0 308.451 2.248 10 0 DEAERO Cc1ccc(O[C@@H](C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000173917056 198268405 /nfs/dbraw/zinc/26/84/05/198268405.db2.gz IDYSKSZHDOOMSN-GJZGRUSLSA-N 1 0 305.422 2.108 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H](O)c1ccccc1 ZINC000073010085 191268724 /nfs/dbraw/zinc/26/87/24/191268724.db2.gz XAYTZGYVRJWYHM-MSOLQXFVSA-N 1 0 312.413 2.009 10 0 DEAERO C[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000173826799 198257792 /nfs/dbraw/zinc/25/77/92/198257792.db2.gz COPGRAYMOZGOCO-KBPBESRZSA-N 1 0 317.433 2.334 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)NCc2cccc3c2OCO3)CC[N@@H+]1C ZINC000174224990 198308293 /nfs/dbraw/zinc/30/82/93/198308293.db2.gz VGZKJXRNGBTJDB-GXTWGEPZSA-N 1 0 319.405 2.039 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc3c2OCO3)CC[N@@H+]1C ZINC000174225003 198308458 /nfs/dbraw/zinc/30/84/58/198308458.db2.gz VGZKJXRNGBTJDB-OCCSQVGLSA-N 1 0 319.405 2.039 10 0 DEAERO C[C@H](CC(=O)N1CC[C@@H]([NH+](C)C)C1)C(=O)c1cccc(F)c1 ZINC000174584737 198355782 /nfs/dbraw/zinc/35/57/82/198355782.db2.gz KJNVKYBEKMQTET-IUODEOHRSA-N 1 0 306.381 2.197 10 0 DEAERO CCc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)cc1 ZINC000174633189 198363047 /nfs/dbraw/zinc/36/30/47/198363047.db2.gz AMIQOKWREOGOSS-RHSMWYFYSA-N 1 0 304.434 2.166 10 0 DEAERO O[C@H](CNc1nnc(-c2ccccc2)s1)C[NH+]1CCCCC1 ZINC000174684602 198370355 /nfs/dbraw/zinc/37/03/55/198370355.db2.gz XLMPYJZVVANISQ-CQSZACIVSA-N 1 0 318.446 2.464 10 0 DEAERO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCc2occc2C1 ZINC000333510254 282933690 /nfs/dbraw/zinc/93/36/90/282933690.db2.gz IZVLYBWJJYKHGO-NWANDNLSSA-N 1 0 303.406 2.126 10 0 DEAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1COc2ccccc21 ZINC000175784864 198510283 /nfs/dbraw/zinc/51/02/83/198510283.db2.gz CMLJAKMWFVEBJW-DOTOQJQBSA-N 1 0 318.417 2.030 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCOC[C@@H]1CC(C)C ZINC000073203328 191291294 /nfs/dbraw/zinc/29/12/94/191291294.db2.gz RNXFTCPGLMTBHC-CVEARBPZSA-N 1 0 313.486 2.419 10 0 DEAERO CC(C)(C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C1(O)CCOCC1 ZINC000333939953 282990565 /nfs/dbraw/zinc/99/05/65/282990565.db2.gz NQIDWPIIEAREBS-RRFJBIMHSA-N 1 0 311.466 2.347 10 0 DEAERO O=C1Cc2c(ccc3c2O[C@@H](C[NH2+]Cc2ccccc2)CO3)N1 ZINC000003952389 181058701 /nfs/dbraw/zinc/05/87/01/181058701.db2.gz DYJIKHYBKVODAC-ZDUSSCGKSA-N 1 0 310.353 2.111 10 0 investigational DEAERO C[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(CO)c1 ZINC000039346302 354168836 /nfs/dbraw/zinc/16/88/36/354168836.db2.gz JKPBWUJZWQEFQA-SCLBCKFNSA-N 1 0 301.386 2.139 10 0 DEAERO C[C@@H](C[NH2+]C[C@H](O)c1ccccc1)NC(=O)Cc1ccccc1 ZINC000040504044 354169794 /nfs/dbraw/zinc/16/97/94/354169794.db2.gz NMIXRSULZCHUEE-YJBOKZPZSA-N 1 0 312.413 2.057 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCc2ccccc21 ZINC000048283686 354348239 /nfs/dbraw/zinc/34/82/39/354348239.db2.gz HHZMFUZFGDMLST-KRWDZBQOSA-N 1 0 317.433 2.086 10 0 DEAERO CCc1ccc(C(=O)CCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000061031458 354622193 /nfs/dbraw/zinc/62/21/93/354622193.db2.gz AHHNLQFTJPLEAK-UHFFFAOYSA-N 1 0 302.418 2.422 10 0 DEAERO Cc1ccc(C(=O)N(C)CC2C[NH+](C)C2)cc1Br ZINC000618193094 363410332 /nfs/dbraw/zinc/41/03/32/363410332.db2.gz IXBUKTMYWSOKLQ-UHFFFAOYSA-N 1 0 311.223 2.391 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1nccn1CC(C)C ZINC000073654236 191336402 /nfs/dbraw/zinc/33/64/02/191336402.db2.gz YBGOWTRBBYPIPJ-AWEZNQCLSA-N 1 0 309.458 2.069 10 0 DEAERO Cc1nc2cc(S(=O)(=O)Nc3cc[nH+]c(C)c3)ccc2[nH]1 ZINC000074944917 191393000 /nfs/dbraw/zinc/39/30/00/191393000.db2.gz GLTOTACPTZXSGO-UHFFFAOYSA-N 1 0 302.359 2.376 10 0 DEAERO Cc1cc(NS(=O)(=O)c2ccc3c(c2)ncn3C)cc[nH+]1 ZINC000074945192 191393161 /nfs/dbraw/zinc/39/31/61/191393161.db2.gz QOAQSRKWNOPMCQ-UHFFFAOYSA-N 1 0 302.359 2.078 10 0 DEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1occc1Br ZINC000081749525 355446872 /nfs/dbraw/zinc/44/68/72/355446872.db2.gz KBICIMJOWAYVRJ-VIFPVBQESA-N 1 0 301.184 2.066 10 0 DEAERO c1nn(CC[NH+]2CCCCC2)cc1Nc1ccc2nccnc2n1 ZINC000092978273 355659187 /nfs/dbraw/zinc/65/91/87/355659187.db2.gz AZMBVHKRFZYGSB-UHFFFAOYSA-N 1 0 323.404 2.451 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(F)c1 ZINC000367413305 283113477 /nfs/dbraw/zinc/11/34/77/283113477.db2.gz RAKYPJGBMHBKRW-BDJLRTHQSA-N 1 0 324.371 2.395 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000370570526 283127438 /nfs/dbraw/zinc/12/74/38/283127438.db2.gz YFXYZKQWTILYNF-IAGOWNOFSA-N 1 0 302.418 2.322 10 0 DEAERO C[NH+]1CCN(c2nncc3cc(Br)ccc32)CC1 ZINC000148039209 355913717 /nfs/dbraw/zinc/91/37/17/355913717.db2.gz ZRAQYLKVKUPHTQ-UHFFFAOYSA-N 1 0 307.195 2.144 10 0 DEAERO CC(C)[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1nc(C2CC2)no1 ZINC000170812627 355993936 /nfs/dbraw/zinc/99/39/36/355993936.db2.gz MWCLEZULBQLPGN-QWHCGFSZSA-N 1 0 321.425 2.038 10 0 DEAERO COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000172264383 356004391 /nfs/dbraw/zinc/00/43/91/356004391.db2.gz MGDIXMPZQKZNIF-OCCSQVGLSA-N 1 0 309.406 2.237 10 0 DEAERO NC(=O)NC(=O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000180386904 356049324 /nfs/dbraw/zinc/04/93/24/356049324.db2.gz KXLGGRSSBUEBCV-MRXNPFEDSA-N 1 0 311.385 2.145 10 0 DEAERO C[NH+](C)C1(CNC(=O)c2c[nH]c3cc(F)ccc23)CCOCC1 ZINC000181220628 356075651 /nfs/dbraw/zinc/07/56/51/356075651.db2.gz OBFDYDXRLIZUKZ-UHFFFAOYSA-N 1 0 319.380 2.148 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1cccc(Cl)c1 ZINC000181412887 356080000 /nfs/dbraw/zinc/08/00/00/356080000.db2.gz BQAXXWAPZOCFPO-GFCCVEGCSA-N 1 0 320.824 2.383 10 0 DEAERO C[C@H](CCNC(=O)NCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000181589718 356087313 /nfs/dbraw/zinc/08/73/13/356087313.db2.gz MPTUJLPBZBKFCZ-IAGOWNOFSA-N 1 0 324.513 2.425 10 0 DEAERO CN(Cc1cccc(C(N)=[NH2+])c1)S(=O)(=O)C1CCCCC1 ZINC000079800227 191973952 /nfs/dbraw/zinc/97/39/52/191973952.db2.gz KGXUNZZANPGUMF-UHFFFAOYSA-N 1 0 309.435 2.065 10 0 DEAERO CC[C@](C)(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=[NH2+] ZINC000079799134 191974206 /nfs/dbraw/zinc/97/42/06/191974206.db2.gz MEVHRDNZQXOSCB-NSHDSACASA-N 1 0 323.340 2.088 10 0 DEAERO COc1c(CN2CCO[C@H](Cc3ccccc3)C2)c(C)nn1C ZINC000181926289 356100836 /nfs/dbraw/zinc/10/08/36/356100836.db2.gz DOLJVPXSIQBRGB-MRXNPFEDSA-N 1 0 315.417 2.181 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)Nc1cccc(N(C)C)n1 ZINC000181935820 356101607 /nfs/dbraw/zinc/10/16/07/356101607.db2.gz CZHNPBFLAOQISH-UHFFFAOYSA-N 1 0 316.409 2.322 10 0 DEAERO CNC(=O)[C@@H]1C[C@@H](c2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC000080129559 192003827 /nfs/dbraw/zinc/00/38/27/192003827.db2.gz XEHQKPNLUQMTAJ-ONGXEEELSA-N 1 0 302.296 2.167 10 0 DEAERO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000080156938 192007276 /nfs/dbraw/zinc/00/72/76/192007276.db2.gz YZDFCZKNTWKVFA-TTZDDIAXSA-N 1 0 314.495 2.263 10 0 DEAERO CC[C@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1nccs1 ZINC000080269020 192019198 /nfs/dbraw/zinc/01/91/98/192019198.db2.gz BLAPGMILSLBAKD-KWQFWETISA-N 1 0 307.341 2.252 10 0 DEAERO COc1cccc(C[C@@H]([NH2+]CCCn2ccnn2)C2CC2)c1 ZINC000184266703 356189393 /nfs/dbraw/zinc/18/93/93/356189393.db2.gz FLBNPMUUEAYJMR-QGZVFWFLSA-N 1 0 300.406 2.288 10 0 DEAERO NC(=S)[C@@H](CN1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000080797186 192192409 /nfs/dbraw/zinc/19/24/09/192192409.db2.gz DCOQTMQAEJYGNB-INIZCTEOSA-N 1 0 303.475 2.084 10 0 DEAERO Cc1nc(C)c(C[NH2+][C@H]2CCCN(c3ncccn3)C2)s1 ZINC000080693678 192182299 /nfs/dbraw/zinc/18/22/99/192182299.db2.gz ANTULUBYNCFNOC-ZDUSSCGKSA-N 1 0 303.435 2.309 10 0 DEAERO [NH3+]Cc1cc(I)ncc1OC(F)(F)F ZINC000238666006 356304923 /nfs/dbraw/zinc/30/49/23/356304923.db2.gz NHZIWYXAWXDOBE-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000262642682 356343129 /nfs/dbraw/zinc/34/31/29/356343129.db2.gz SPNDPTFYHQWJDM-BFHYXJOUSA-N 1 0 306.406 2.048 10 0 DEAERO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n(C)n1 ZINC000400327166 283155568 /nfs/dbraw/zinc/15/55/68/283155568.db2.gz CPFWQPLKRISTQE-KGLIPLIRSA-N 1 0 322.453 2.464 10 0 DEAERO C[C@H]([NH2+]CCc1cn(C)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400796197 283158668 /nfs/dbraw/zinc/15/86/68/283158668.db2.gz SWMJRLLBHYGGRD-KBPBESRZSA-N 1 0 322.453 2.198 10 0 DEAERO COC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2N)C1 ZINC000081041595 192219026 /nfs/dbraw/zinc/21/90/26/192219026.db2.gz VSTWADGMZFWFGP-QWRGUYRKSA-N 1 0 311.813 2.218 10 0 DEAERO Ic1cnc([C@H]2[NH2+]C[C@@H]2C2CC2)s1 ZINC000306898456 356406231 /nfs/dbraw/zinc/40/62/31/356406231.db2.gz XHFWMAOOCMLTFN-SVRRBLITSA-N 1 0 306.172 2.418 10 0 DEAERO c1cnc(N2CCC[C@@H]([NH2+]Cc3cnc4ccccc4n3)C2)nc1 ZINC000324607563 356458260 /nfs/dbraw/zinc/45/82/60/356458260.db2.gz JJCXNYYHPPNECL-CQSZACIVSA-N 1 0 320.400 2.178 10 0 DEAERO Cc1ccsc1C[NH2+]C[C@H]1CCc2c(C(N)=O)cnn2C1 ZINC000328629572 356464219 /nfs/dbraw/zinc/46/42/19/356464219.db2.gz IIVPOCBMQAMCEK-LLVKDONJSA-N 1 0 304.419 2.489 10 0 DEAERO Brc1ccc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)s1 ZINC000404284208 283164916 /nfs/dbraw/zinc/16/49/16/283164916.db2.gz WTHSUJONCCOBOP-WDEREUQCSA-N 1 0 317.252 2.073 10 0 DEAERO CC(C)[NH2+]Cc1c(Cl)cccc1N1CCn2cnnc2C1 ZINC000081537726 192286595 /nfs/dbraw/zinc/28/65/95/192286595.db2.gz UZMPHXTWRNOTKI-UHFFFAOYSA-N 1 0 305.813 2.450 10 0 DEAERO CCN(C[C@H]1CC[N@H+](CCC(=O)NC(C)C)C1)CC(F)(F)F ZINC000081557047 192290990 /nfs/dbraw/zinc/29/09/90/192290990.db2.gz CIXNSVKVFYHRFG-CYBMUJFWSA-N 1 0 323.403 2.107 10 0 DEAERO CCC[NH2+]CCNC(=O)c1sc(-c2ccccn2)nc1C ZINC000236859750 202040693 /nfs/dbraw/zinc/04/06/93/202040693.db2.gz VSMBCKDLNVERLS-UHFFFAOYSA-N 1 0 304.419 2.243 10 0 DEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)Cc1csc(C)n1 ZINC000086979446 192605142 /nfs/dbraw/zinc/60/51/42/192605142.db2.gz YEPPUTXWPLYMTM-GFCCVEGCSA-N 1 0 304.481 2.187 10 0 DEAERO CCCCN(CC)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C(C)C ZINC000088916111 192656834 /nfs/dbraw/zinc/65/68/34/192656834.db2.gz JXYZHHKUWRIGDL-OAHLLOKOSA-N 1 0 319.515 2.206 10 0 DEAERO CCN(C)S(=O)(=O)c1cc(C[NH2+]C2CC2)ccc1Cl ZINC000088940456 192661484 /nfs/dbraw/zinc/66/14/84/192661484.db2.gz JQXBIKDTNXPCSE-UHFFFAOYSA-N 1 0 302.827 2.232 10 0 DEAERO CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249593216 535356274 /nfs/dbraw/zinc/35/62/74/535356274.db2.gz WADIQYQTIPGNSS-ZIAGYGMSSA-N 1 0 310.463 2.061 10 0 DEAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000582015116 357287127 /nfs/dbraw/zinc/28/71/27/357287127.db2.gz HZRGVXUKNLROAX-JYJNAYRXSA-N 1 0 323.408 2.172 10 0 DEAERO O=C(NCCCc1ccccn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000178416855 198863473 /nfs/dbraw/zinc/86/34/73/198863473.db2.gz AEDNLZJEIGPBGB-INIZCTEOSA-N 1 0 316.449 2.142 10 0 DEAERO CCC[NH2+]CCCN(C)S(=O)(=O)N(C)C1CCC(C)CC1 ZINC000088993933 192686652 /nfs/dbraw/zinc/68/66/52/192686652.db2.gz KHVLWQSKWNCQDQ-UHFFFAOYSA-N 1 0 319.515 2.063 10 0 DEAERO CCCCC[C@H](C)NS(=O)(=O)N1CCC(C[NH2+]CC)CC1 ZINC000088998144 192688776 /nfs/dbraw/zinc/68/87/76/192688776.db2.gz PARGAZWBEDVGGJ-AWEZNQCLSA-N 1 0 319.515 2.111 10 0 DEAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1N(C)C ZINC000179403674 199029146 /nfs/dbraw/zinc/02/91/46/199029146.db2.gz SPOKPVFTGUVNMX-CVEARBPZSA-N 1 0 305.466 2.250 10 0 DEAERO CCC[C@H](C)C[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000180132846 199121270 /nfs/dbraw/zinc/12/12/70/199121270.db2.gz BZQNBZRZJUJSDW-ZWKOTPCHSA-N 1 0 320.477 2.480 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1nc2ccc(Cl)cc2n1C ZINC000180163592 199125156 /nfs/dbraw/zinc/12/51/56/199125156.db2.gz GDYRREHBRNYRES-DGCLKSJQSA-N 1 0 322.840 2.208 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(C)c(O)c1 ZINC000180349754 199148865 /nfs/dbraw/zinc/14/88/65/199148865.db2.gz PLQKHJHHZABJLN-HZPDHXFCSA-N 1 0 302.418 2.328 10 0 DEAERO COc1ccnc(C[N@@H+]2CCC[C@@H]2CN(C(C)=O)C2CC2)c1 ZINC000276666785 213033358 /nfs/dbraw/zinc/03/33/58/213033358.db2.gz YYLGPCGHNQKPIS-MRXNPFEDSA-N 1 0 303.406 2.066 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)[C@H](C)c2cnn(C)c2)CC1 ZINC000180327757 199146068 /nfs/dbraw/zinc/14/60/68/199146068.db2.gz ZIYYVWMWLUZUGW-CQSZACIVSA-N 1 0 321.469 2.245 10 0 DEAERO C[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176348833 291166471 /nfs/dbraw/zinc/16/64/71/291166471.db2.gz DFILTZIHZIUNKD-GJZGRUSLSA-N 1 0 322.474 2.105 10 0 DEAERO CCC[NH2+]C[C@H](C)S(=O)(=O)N1CCC(C(C)(C)C)CC1 ZINC000089021569 192701391 /nfs/dbraw/zinc/70/13/91/192701391.db2.gz JSYKPELEPFDFHV-ZDUSSCGKSA-N 1 0 304.500 2.462 10 0 DEAERO CCC[NH2+]CC1CCN(S(=O)(=O)N(C)C(C)(C)CC)CC1 ZINC000089039343 192713644 /nfs/dbraw/zinc/71/36/44/192713644.db2.gz YIHDKBVVBMHCMH-UHFFFAOYSA-N 1 0 319.515 2.063 10 0 DEAERO CC[NH2+]Cc1cccc(CS(=O)(=O)NCCC(F)(F)F)c1 ZINC000089035268 192710793 /nfs/dbraw/zinc/71/07/93/192710793.db2.gz YQTAZJPGGQIYPR-UHFFFAOYSA-N 1 0 324.368 2.168 10 0 DEAERO CC[NH2+]CCN(CC)Cc1c(Br)c(C)nn1CC ZINC000089279373 192757932 /nfs/dbraw/zinc/75/79/32/192757932.db2.gz OODGZLNSSWYXOP-UHFFFAOYSA-N 1 0 317.275 2.405 10 0 DEAERO CCc1nn(CC)c(CO[C@@H]2CC[NH2+]C2)c1Br ZINC000089351095 192771366 /nfs/dbraw/zinc/77/13/66/192771366.db2.gz IEIVYKRTTLFBGV-SECBINFHSA-N 1 0 302.216 2.106 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)COc1ccccc1C(C)(C)C ZINC000186738231 200000924 /nfs/dbraw/zinc/00/09/24/200000924.db2.gz RXFVIGIVPBXMAL-UKRRQHHQSA-N 1 0 304.434 2.477 10 0 DEAERO CC(C)[NH2+]CC1(CN2CCS(=O)CC2)CCC(C)CC1 ZINC000089581163 192820837 /nfs/dbraw/zinc/82/08/37/192820837.db2.gz YTPRVTYZCKHTHJ-UHFFFAOYSA-N 1 0 300.512 2.245 10 0 DEAERO COCc1cccc(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000187200879 200076618 /nfs/dbraw/zinc/07/66/18/200076618.db2.gz LFEOKONQBLXSOU-KRWDZBQOSA-N 1 0 302.418 2.072 10 0 DEAERO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCc3ncnn3C2)cc1F ZINC000187295301 200090218 /nfs/dbraw/zinc/09/02/18/200090218.db2.gz XAWZMMDJXKYHRJ-GXTWGEPZSA-N 1 0 318.396 2.209 10 0 DEAERO CO[C@H]1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC000187424542 200110952 /nfs/dbraw/zinc/11/09/52/200110952.db2.gz KATFFGUGYLNGBI-WBVHZDCISA-N 1 0 319.449 2.185 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1c(F)ccc(OC)c1OC ZINC000188190333 200206477 /nfs/dbraw/zinc/20/64/77/200206477.db2.gz UETMUKOOOQXZIO-LLVKDONJSA-N 1 0 312.385 2.303 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)Cc1ccc(F)cc1 ZINC000188220726 200211189 /nfs/dbraw/zinc/21/11/89/200211189.db2.gz FVADSUGHWRXBHF-OAHLLOKOSA-N 1 0 316.442 2.221 10 0 DEAERO CC(=O)Nc1ccc(C)c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000188365072 200233735 /nfs/dbraw/zinc/23/37/35/200233735.db2.gz GKOLZQCSFHZRFT-SUMWQHHRSA-N 1 0 317.433 2.412 10 0 DEAERO COc1ccc(CCCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000600971948 359877561 /nfs/dbraw/zinc/87/75/61/359877561.db2.gz PJYNPDYJJJYLIE-OAHLLOKOSA-N 1 0 320.433 2.237 10 0 DEAERO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)[C@H](C)C1CCCCC1 ZINC000188638049 200278878 /nfs/dbraw/zinc/27/88/78/200278878.db2.gz BWMNUKSAZRELOF-NWDGAFQWSA-N 1 0 304.438 2.390 10 0 DEAERO COc1ccsc1S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000189132845 200353498 /nfs/dbraw/zinc/35/34/98/200353498.db2.gz DNNUGQPLRGJGCH-NSHDSACASA-N 1 0 320.480 2.011 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cncc(Cl)n1 ZINC000189196259 200362995 /nfs/dbraw/zinc/36/29/95/200362995.db2.gz KZFOGGFKBFIOLM-ZDUSSCGKSA-N 1 0 318.808 2.033 10 0 DEAERO c1nc2c(ncnc2N2CC[C@H]([NH+]3CCCCC3)C2)n1C1CC1 ZINC000292725782 223219733 /nfs/dbraw/zinc/21/97/33/223219733.db2.gz LVZBTWXEJQPSNS-AWEZNQCLSA-N 1 0 312.421 2.226 10 0 DEAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccnn1C ZINC000192749359 200934217 /nfs/dbraw/zinc/93/42/17/200934217.db2.gz BROWFEQKBXWAEQ-RYUDHWBXSA-N 1 0 307.419 2.235 10 0 DEAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccnn1C ZINC000192749400 200934742 /nfs/dbraw/zinc/93/47/42/200934742.db2.gz BROWFEQKBXWAEQ-VXGBXAGGSA-N 1 0 307.419 2.235 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000193197021 201005913 /nfs/dbraw/zinc/00/59/13/201005913.db2.gz CLMZJHJPFJIUER-NEPJUHHUSA-N 1 0 303.406 2.340 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000193282914 201019611 /nfs/dbraw/zinc/01/96/11/201019611.db2.gz JOBOXWRLDWPAHZ-WBVHZDCISA-N 1 0 304.434 2.364 10 0 DEAERO Cn1nc(Br)cc1C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000717624988 799426368 /nfs/dbraw/zinc/42/63/68/799426368.db2.gz KTGDASUOUHYKHP-SNVBAGLBSA-N 1 0 302.216 2.087 10 0 DEAERO C=Cn1cc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cn1 ZINC000193832104 201131762 /nfs/dbraw/zinc/13/17/62/201131762.db2.gz BYEYNXONTABZLQ-AWEZNQCLSA-N 1 0 304.438 2.356 10 0 DEAERO CC(C)(C)n1cc(CN2CC[NH+](C[C@H]3CCC=CO3)CC2)cn1 ZINC000193906387 201141138 /nfs/dbraw/zinc/14/11/38/201141138.db2.gz ZYZGIQCBBIWNNQ-QGZVFWFLSA-N 1 0 318.465 2.448 10 0 DEAERO COC(=O)C(C)(C)[C@H]([NH2+]CC(=O)NC(C)C)c1ccccc1 ZINC000611404958 361593446 /nfs/dbraw/zinc/59/34/46/361593446.db2.gz FDLUVKOITWWMOD-OAHLLOKOSA-N 1 0 306.406 2.041 10 0 DEAERO CSC1(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000194819227 201295096 /nfs/dbraw/zinc/29/50/96/201295096.db2.gz OPKYUCJGLORLNL-CQSZACIVSA-N 1 0 307.463 2.484 10 0 DEAERO CCCOC(=O)[C@H](C)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195284169 201372530 /nfs/dbraw/zinc/37/25/30/201372530.db2.gz FGHLUQYCDRPARC-DOTOQJQBSA-N 1 0 319.449 2.177 10 0 DEAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CC(=O)OC(C)(C)C)C1 ZINC000195301659 201376105 /nfs/dbraw/zinc/37/61/05/201376105.db2.gz QHCMMHREUXCROP-MRXNPFEDSA-N 1 0 319.449 2.177 10 0 DEAERO COCCCNC(=O)CSc1cccc(C[NH2+]C(C)C)c1 ZINC000090871928 192940158 /nfs/dbraw/zinc/94/01/58/192940158.db2.gz IJNJPDWEQGOKEY-UHFFFAOYSA-N 1 0 310.463 2.429 10 0 DEAERO CCc1nn(C)c(Cn2ccc(CC[NH3+])c2)c1Br ZINC000091004813 192970402 /nfs/dbraw/zinc/97/04/02/192970402.db2.gz SXEJJODKVXNLAZ-UHFFFAOYSA-N 1 0 311.227 2.096 10 0 DEAERO Cn1cncc1[C@H]1C[C@H]([NH2+]Cc2cccc3c2OCO3)CCO1 ZINC000275399920 212309732 /nfs/dbraw/zinc/30/97/32/212309732.db2.gz CLEHTMPPIBJAKN-CZUORRHYSA-N 1 0 315.373 2.159 10 0 DEAERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCn1cccn1 ZINC000275397061 212308989 /nfs/dbraw/zinc/30/89/89/212308989.db2.gz CHAPFXOQFRQKNV-YQQAZPJKSA-N 1 0 317.437 2.246 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2c(C)cccc2C)CC12COC2 ZINC000449357536 240392783 /nfs/dbraw/zinc/39/27/83/240392783.db2.gz DRPFCPSHJWOCQL-MRXNPFEDSA-N 1 0 303.402 2.315 10 0 DEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000623765822 365166433 /nfs/dbraw/zinc/16/64/33/365166433.db2.gz WYTMDCHBWHYCGV-RYUDHWBXSA-N 1 0 320.614 2.342 10 0 DEAERO CN1CCOC[C@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000623710749 365140512 /nfs/dbraw/zinc/14/05/12/365140512.db2.gz MPGQDARURWIALL-GFCCVEGCSA-N 1 0 317.202 2.008 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H](O)c1cccc(F)c1 ZINC000091229926 193024072 /nfs/dbraw/zinc/02/40/72/193024072.db2.gz PIGGSQJIIUJAQZ-CVEARBPZSA-N 1 0 310.413 2.342 10 0 DEAERO CC(C)N(Cc1cccs1)[C@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323430 193040770 /nfs/dbraw/zinc/04/07/70/193040770.db2.gz ZZZXTPSYMLSHQK-AWEZNQCLSA-N 1 0 309.479 2.298 10 0 DEAERO C[NH+](C)[C@H]1CCCN(c2cc(Br)ccc2CO)C1 ZINC000091394006 193050420 /nfs/dbraw/zinc/05/04/20/193050420.db2.gz XPAPTZUHCCEARR-ZDUSSCGKSA-N 1 0 313.239 2.472 10 0 DEAERO CC[NH2+][C@H](Cc1csc(C)n1)[C@@](C)(CC)N1CCOCC1 ZINC000091612922 193079774 /nfs/dbraw/zinc/07/97/74/193079774.db2.gz VOEUEMGMXZQUFF-HZPDHXFCSA-N 1 0 311.495 2.473 10 0 DEAERO COc1ccc(Cl)cc1C[C@@H]([NH3+])C(C)(C)N1CCOCC1 ZINC000091566100 193073293 /nfs/dbraw/zinc/07/32/93/193073293.db2.gz UCJOIVBLWUASTG-OAHLLOKOSA-N 1 0 312.841 2.329 10 0 DEAERO CC[C@@](C)([C@@H](N)Cc1c(Br)c(C)nn1C)[NH+](C)C ZINC000091570106 193074635 /nfs/dbraw/zinc/07/46/35/193074635.db2.gz VOGJOGWRAVOHAO-AAEUAGOBSA-N 1 0 317.275 2.091 10 0 DEAERO Cc1nc(NC(=O)[C@@H]([NH3+])C(C)(C)C)ccc1Br ZINC000091507096 193066126 /nfs/dbraw/zinc/06/61/26/193066126.db2.gz JBKDIDCKRBJMOX-SNVBAGLBSA-N 1 0 300.200 2.464 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)C1(N2CCCC2)CCCC1 ZINC000091641219 193083430 /nfs/dbraw/zinc/08/34/30/193083430.db2.gz PPNCNYUTDWZYQS-HNNXBMFYSA-N 1 0 316.511 2.198 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(Br)cc1F ZINC000624237847 365346968 /nfs/dbraw/zinc/34/69/68/365346968.db2.gz FSQFLFYCJRZWHD-AQUOVQTQSA-N 1 0 318.186 2.389 10 0 DEAERO O=C(Cc1cccc(Br)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714168 193096718 /nfs/dbraw/zinc/09/67/18/193096718.db2.gz SFFBDFOJUOKOGA-HIFRSBDPSA-N 1 0 324.218 2.424 10 0 DEAERO CC[NH+](CC)C1([C@@H](O)CCCS(=O)(=O)CC)CCCC1 ZINC000091638991 193082473 /nfs/dbraw/zinc/08/24/73/193082473.db2.gz NOGWDCCBRUFZAY-AWEZNQCLSA-N 1 0 305.484 2.217 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH3+])C1(N2CCCCC2)CCCC1 ZINC000091641812 193082765 /nfs/dbraw/zinc/08/27/65/193082765.db2.gz SWJXHKNJDUPYEL-HNNXBMFYSA-N 1 0 316.511 2.327 10 0 DEAERO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000091846043 193116784 /nfs/dbraw/zinc/11/67/84/193116784.db2.gz WKXUISNVOCLYHX-UHFFFAOYSA-N 1 0 320.817 2.370 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(C)s1 ZINC000091850587 193117980 /nfs/dbraw/zinc/11/79/80/193117980.db2.gz HMSMFUPWCKZLRO-UHFFFAOYSA-N 1 0 302.465 2.337 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(F)cc1C ZINC000091850539 193118242 /nfs/dbraw/zinc/11/82/42/193118242.db2.gz BACUTBGBMUYABV-UHFFFAOYSA-N 1 0 314.426 2.415 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N[C@@H]3CC[NH2+]CC3(C)C)cc2)c1 ZINC000449701858 240951150 /nfs/dbraw/zinc/95/11/50/240951150.db2.gz XOZFBUKRUOZQCB-MRXNPFEDSA-N 1 0 312.417 2.299 10 0 DEAERO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC000630034592 367445470 /nfs/dbraw/zinc/44/54/70/367445470.db2.gz AYGVOGQJHLNBRR-AEFFLSMTSA-N 1 0 319.445 2.424 10 0 DEAERO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H]1COCCO1 ZINC000450750697 242176358 /nfs/dbraw/zinc/17/63/58/242176358.db2.gz BRXGNDXCAOUBBF-QZTJIDSGSA-N 1 0 306.450 2.148 10 0 DEAERO CO[C@H]1CN(C(=O)c2cccc(Cl)c2F)[C@](C)(C[NH3+])C1 ZINC000630376444 367619135 /nfs/dbraw/zinc/61/91/35/367619135.db2.gz WGSWHGQCTWDTPT-OTYXRUKQSA-N 1 0 300.761 2.057 10 0 DEAERO COc1ccc(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1O ZINC000092079289 193154917 /nfs/dbraw/zinc/15/49/17/193154917.db2.gz KZFDSYLXGNWLLG-AWEZNQCLSA-N 1 0 320.433 2.086 10 0 DEAERO C/C=C/C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(=O)OCC ZINC000450915892 242388369 /nfs/dbraw/zinc/38/83/69/242388369.db2.gz QHNHUGPXZUMKME-KEDPEKRHSA-N 1 0 310.438 2.121 10 0 DEAERO CC[NH2+]Cc1csc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1 ZINC000092113452 193161191 /nfs/dbraw/zinc/16/11/91/193161191.db2.gz CXSSRQHABRSTPE-GHMZBOCLSA-N 1 0 302.465 2.134 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)c(F)c1 ZINC000092115549 193163160 /nfs/dbraw/zinc/16/31/60/193163160.db2.gz PTMDCWRLURKHCX-VXGBXAGGSA-N 1 0 314.426 2.497 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)C(C)C)c(F)c1 ZINC000092115589 193163394 /nfs/dbraw/zinc/16/33/94/193163394.db2.gz PZCLTUCJRVWSSR-UHFFFAOYSA-N 1 0 302.415 2.354 10 0 DEAERO CC1CCC(N(C)S(=O)(=O)c2ccc(C[NH3+])cc2F)CC1 ZINC000092115901 193163958 /nfs/dbraw/zinc/16/39/58/193163958.db2.gz FLGVWABDOAEKDW-UHFFFAOYSA-N 1 0 314.426 2.484 10 0 DEAERO CN(c1ccccc1F)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116037 193164040 /nfs/dbraw/zinc/16/40/40/193164040.db2.gz UNIRRDFCZVWHPI-UHFFFAOYSA-N 1 0 312.341 2.249 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CC2(C)C)c(F)c1 ZINC000092116021 193164357 /nfs/dbraw/zinc/16/43/57/193164357.db2.gz SVIBOAOGQUORMH-ZDUSSCGKSA-N 1 0 300.399 2.012 10 0 DEAERO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000528757636 284001491 /nfs/dbraw/zinc/00/14/91/284001491.db2.gz NDUSDBSOKGHRKA-XPZRHXQJSA-N 1 0 304.390 2.229 10 0 DEAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092203030 193173057 /nfs/dbraw/zinc/17/30/57/193173057.db2.gz VDRKZEFVRZGQDQ-SCDSUCTJSA-N 1 0 323.234 2.400 10 0 DEAERO c1cc(C[NH2+][C@H]2COC3(CCC3)C2)cc(N2CCSCC2)n1 ZINC000631723350 368357680 /nfs/dbraw/zinc/35/76/80/368357680.db2.gz HSGCCPRWLBPPQG-OAHLLOKOSA-N 1 0 319.474 2.436 10 0 DEAERO COc1ccc(Br)c(CN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838507 368415398 /nfs/dbraw/zinc/41/53/98/368415398.db2.gz PLZGAQYCCDCRRS-ZYHUDNBSSA-N 1 0 313.239 2.484 10 0 DEAERO O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631996214 368486349 /nfs/dbraw/zinc/48/63/49/368486349.db2.gz YBQWJGKQWRJRKS-SMDDNHRTSA-N 1 0 314.838 2.103 10 0 DEAERO Nc1[nH+]c2ccc(Br)cc2n1CCC(=O)NC1CC1 ZINC000092996918 193191970 /nfs/dbraw/zinc/19/19/70/193191970.db2.gz AEQCODZWGQVLET-UHFFFAOYSA-N 1 0 323.194 2.050 10 0 DEAERO CC[NH2+]Cc1sc(N(CCOC)CCOC)nc1C(C)C ZINC000093000110 193192081 /nfs/dbraw/zinc/19/20/81/193192081.db2.gz RUCAVICGODKQBU-UHFFFAOYSA-N 1 0 315.483 2.475 10 0 DEAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cccc(C(F)F)c2)cn1 ZINC000261891655 203145341 /nfs/dbraw/zinc/14/53/41/203145341.db2.gz GOJBSAUYLZPPBM-KGLIPLIRSA-N 1 0 320.343 2.299 10 0 DEAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccc(Cl)cc2F)cn1 ZINC000261987114 203168609 /nfs/dbraw/zinc/16/86/09/203168609.db2.gz SFCXAJLVMLXYPG-NEPJUHHUSA-N 1 0 322.771 2.154 10 0 DEAERO O=C(CC/C=C\c1ccccc1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452362148 244194513 /nfs/dbraw/zinc/19/45/13/244194513.db2.gz KNEVOTWQDYHFRL-JDTSAYOFSA-N 1 0 316.445 2.443 10 0 DEAERO COCC[NH2+]C[C@H](Cc1ncnn1C)c1cccc(Cl)c1 ZINC000093166389 193209233 /nfs/dbraw/zinc/20/92/33/193209233.db2.gz HXVRNMDPTFXGPI-ZDUSSCGKSA-N 1 0 308.813 2.031 10 0 DEAERO [NH3+][C@@H]1CC[C@H](OCC(=O)Nc2ccccc2Br)C1 ZINC000093217132 193217285 /nfs/dbraw/zinc/21/72/85/193217285.db2.gz FNJBFCJXUJWNFM-ZJUUUORDSA-N 1 0 313.195 2.284 10 0 DEAERO CCc1nn(C)c(CO[C@H]2CC[C@H]([NH3+])C2)c1Br ZINC000093217107 193217680 /nfs/dbraw/zinc/21/76/80/193217680.db2.gz IZHDMYTZSUSKTM-IUCAKERBSA-N 1 0 302.216 2.141 10 0 DEAERO COc1cc(C[NH2+]CC2(C)COC2)cc(Br)c1O ZINC000093232504 193219731 /nfs/dbraw/zinc/21/97/31/193219731.db2.gz FJVISLQHXRDPAA-UHFFFAOYSA-N 1 0 316.195 2.289 10 0 DEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1c(C)oc(C)c1C[NH3+] ZINC000093265762 193222520 /nfs/dbraw/zinc/22/25/20/193222520.db2.gz OTKRLHIDNDHRFM-JTQLQIEISA-N 1 0 302.440 2.412 10 0 DEAERO CCC(CC)N(CC(C)C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000093326128 193232991 /nfs/dbraw/zinc/23/29/91/193232991.db2.gz DXTCRPPJGKPDBB-UHFFFAOYSA-N 1 0 304.500 2.462 10 0 DEAERO CS(=O)(=O)c1ccc2[nH]c(C3CCC(C[NH3+])CC3)nc2c1 ZINC000093430325 193250107 /nfs/dbraw/zinc/25/01/07/193250107.db2.gz KOIQIYYNJMMDQN-UHFFFAOYSA-N 1 0 307.419 2.199 10 0 DEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H]1CCO[C@@H](C)C(F)(F)F ZINC000093626380 193276320 /nfs/dbraw/zinc/27/63/20/193276320.db2.gz AGQYFCAPOMODBJ-GMXVVIOVSA-N 1 0 310.360 2.366 10 0 DEAERO CC1CCC(C[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093696894 193291664 /nfs/dbraw/zinc/29/16/64/193291664.db2.gz FROMZHFGXUWELN-YMAMQOFZSA-N 1 0 302.484 2.074 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@H](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093702219 193294840 /nfs/dbraw/zinc/29/48/40/193294840.db2.gz IJBPOTYKBYOMJK-QLFBSQMISA-N 1 0 302.484 2.216 10 0 DEAERO CC[NH2+]CC(CC)(CC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701528 193294931 /nfs/dbraw/zinc/29/49/31/193294931.db2.gz KCVNNJAOYLOUOY-CQSZACIVSA-N 1 0 304.500 2.464 10 0 DEAERO CC(C)(C)[NH2+]CC(C)(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701479 193294937 /nfs/dbraw/zinc/29/49/37/193294937.db2.gz XRFTUWXYOZJYJC-ZDUSSCGKSA-N 1 0 304.500 2.462 10 0 DEAERO CC(C)C[C@]1(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000093700699 193295047 /nfs/dbraw/zinc/29/50/47/193295047.db2.gz KUVKRVHYWUAIAJ-GJZGRUSLSA-N 1 0 302.484 2.216 10 0 DEAERO CC[NH2+][C@@H](CCC[C@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000093702285 193295774 /nfs/dbraw/zinc/29/57/74/193295774.db2.gz CYPTUTDQGBRHHZ-ZFWWWQNUSA-N 1 0 302.484 2.216 10 0 DEAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H](N(C)CCC(F)(F)F)C1 ZINC000093756554 193301708 /nfs/dbraw/zinc/30/17/08/193301708.db2.gz RZTXPYGJWGORKE-AAEUAGOBSA-N 1 0 309.376 2.035 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](N(C)CCC(F)(F)F)C1 ZINC000093756567 193301737 /nfs/dbraw/zinc/30/17/37/193301737.db2.gz ZCPFTDRQKJWWGV-YPMHNXCESA-N 1 0 309.376 2.037 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@H](n2cc(Br)cn2)C1 ZINC000093784218 193307941 /nfs/dbraw/zinc/30/79/41/193307941.db2.gz BJWBQMCXPMCRFS-RYUDHWBXSA-N 1 0 302.216 2.101 10 0 DEAERO [NH3+][C@@]1(CO)CCC[C@@H](Oc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000093785830 193307957 /nfs/dbraw/zinc/30/79/57/193307957.db2.gz QUOGVPIXSNDKBE-UANNBLPKSA-N 1 0 311.250 2.393 10 0 DEAERO COc1c(CN2CC[C@H](C[NH+]3CCCCC3)C2)c(C)nn1C ZINC000093683684 193288603 /nfs/dbraw/zinc/28/86/03/193288603.db2.gz QPGVOBIXJKPCAC-OAHLLOKOSA-N 1 0 306.454 2.045 10 0 DEAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccccc1C ZINC000094024020 193339541 /nfs/dbraw/zinc/33/95/41/193339541.db2.gz LEMVABRUEMEWKB-UHFFFAOYSA-N 1 0 310.463 2.395 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CCc2nnc(C3CCCC3)o2)C1 ZINC000093995852 193336712 /nfs/dbraw/zinc/33/67/12/193336712.db2.gz NFNUVOKZALPNBJ-ZIAGYGMSSA-N 1 0 320.437 2.259 10 0 DEAERO CS(=O)(=O)Nc1ccc(NCC2CC[NH2+]CC2)cc1Cl ZINC000094010140 193338498 /nfs/dbraw/zinc/33/84/98/193338498.db2.gz XKKFDNFZYYUUMB-UHFFFAOYSA-N 1 0 317.842 2.123 10 0 DEAERO COC(=O)[C@@]1(NC2CC2)CC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093831847 193314716 /nfs/dbraw/zinc/31/47/16/193314716.db2.gz IGQVLEAJDIDDBA-WCQYABFASA-N 1 0 308.344 2.087 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CC[C@@H](Oc2ccccc2C(F)(F)F)C1 ZINC000093836634 193314943 /nfs/dbraw/zinc/31/49/43/193314943.db2.gz ZRSPGFPJAXFYPG-RNCFNFMXSA-N 1 0 302.296 2.080 10 0 DEAERO CC[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093850322 193317332 /nfs/dbraw/zinc/31/73/32/193317332.db2.gz HJLHYROCIYZNQX-BONVTDFDSA-N 1 0 304.419 2.041 10 0 DEAERO CC[NH2+][C@]1(C(N)=O)CC[C@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093850321 193318084 /nfs/dbraw/zinc/31/80/84/193318084.db2.gz HJLHYROCIYZNQX-ZUZCIYMTSA-N 1 0 304.419 2.041 10 0 DEAERO CCOC(=O)[C@]1([NH3+])CC[C@@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093854147 193320226 /nfs/dbraw/zinc/32/02/26/193320226.db2.gz YVFFBVLGADLEAU-DOMZBBRYSA-N 1 0 309.435 2.307 10 0 DEAERO CN(CC(C)(C)C[NH3+])c1ccccc1S(=O)(=O)C(F)(F)F ZINC000093874735 193322008 /nfs/dbraw/zinc/32/20/08/193322008.db2.gz INUFGOWKDWMFGO-UHFFFAOYSA-N 1 0 324.368 2.401 10 0 DEAERO CCC[NH2+][C@@H]1CCCc2sc([C@H]3CN(C)CCN3C)nc21 ZINC000093896271 193324888 /nfs/dbraw/zinc/32/48/88/193324888.db2.gz PRMZQGUWIPVGMH-CHWSQXEVSA-N 1 0 308.495 2.438 10 0 DEAERO CCC[NH2+][C@@H](c1cc(Cl)cnc1N)[C@@H]1CN(CC)CCO1 ZINC000093915257 193327976 /nfs/dbraw/zinc/32/79/76/193327976.db2.gz XJACFGXMCJZDGD-KBPBESRZSA-N 1 0 312.845 2.079 10 0 DEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000094023939 193339205 /nfs/dbraw/zinc/33/92/05/193339205.db2.gz UXFLFBCGRZWJMW-UHFFFAOYSA-N 1 0 314.426 2.144 10 0 DEAERO CCC[C@H](C(N)=S)[NH+]1CCN(c2ccncc2Cl)CC1 ZINC000094272422 193356055 /nfs/dbraw/zinc/35/60/55/193356055.db2.gz HQUYDCYZLQUOPY-CYBMUJFWSA-N 1 0 312.870 2.312 10 0 DEAERO CCC[NH2+][C@H](c1ccccc1)[C@H](C)N(C)CCS(C)(=O)=O ZINC000094298129 193357770 /nfs/dbraw/zinc/35/77/70/193357770.db2.gz XXDIAOCQOMQOJC-HOCLYGCPSA-N 1 0 312.479 2.092 10 0 DEAERO CCC[NH2+][C@H](CN(C)CCS(C)(=O)=O)c1cccc(C)c1 ZINC000094298298 193357912 /nfs/dbraw/zinc/35/79/12/193357912.db2.gz NTEFKSZCUZDRKS-MRXNPFEDSA-N 1 0 312.479 2.012 10 0 DEAERO CCC[NH2+]C[C@]1(CN(C)CCS(C)(=O)=O)CCC[C@@H](C)C1 ZINC000094300423 193358403 /nfs/dbraw/zinc/35/84/03/193358403.db2.gz QSJSOSKQEZSQAJ-CVEARBPZSA-N 1 0 318.527 2.159 10 0 DEAERO CC(C)[NH2+]C[C@]1(CN(C)CCS(C)(=O)=O)CCC[C@@H](C)C1 ZINC000094300484 193358562 /nfs/dbraw/zinc/35/85/62/193358562.db2.gz HZUHZASJAMZVKU-CVEARBPZSA-N 1 0 318.527 2.157 10 0 DEAERO CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000094330482 193359082 /nfs/dbraw/zinc/35/90/82/193359082.db2.gz BXNSUEXVJQXMKG-LLVKDONJSA-N 1 0 302.465 2.106 10 0 DEAERO C[NH2+][C@H]1[C@H](CN2CCN(c3nccs3)CC2)CCC1(C)C ZINC000094315990 193359452 /nfs/dbraw/zinc/35/94/52/193359452.db2.gz SKPZDFSHAIAGIO-KBPBESRZSA-N 1 0 308.495 2.289 10 0 DEAERO CCCNC(=O)[C@@H](C)Oc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350175 193363160 /nfs/dbraw/zinc/36/31/60/193363160.db2.gz LSXQNCCHVSIOFH-VHSXEESVSA-N 1 0 300.349 2.148 10 0 DEAERO CC(C)[C@H](C)NC(=O)COc1c(F)cc(CC[NH3+])cc1F ZINC000094349916 193363211 /nfs/dbraw/zinc/36/32/11/193363211.db2.gz MUYVIVJGGPLLEJ-JTQLQIEISA-N 1 0 300.349 2.006 10 0 DEAERO CCCNC(=O)COc1c(F)cc(C[C@@H]([NH3+])CC)cc1F ZINC000094350583 193363229 /nfs/dbraw/zinc/36/32/29/193363229.db2.gz HSMNUHXIGCAAHD-NSHDSACASA-N 1 0 300.349 2.150 10 0 DEAERO CC(C)C[NH2+]Cc1cc(F)c(OCC(=O)N(C)C)c(F)c1 ZINC000094347991 193363415 /nfs/dbraw/zinc/36/34/15/193363415.db2.gz OUJNKAFSADEHGY-UHFFFAOYSA-N 1 0 300.349 2.177 10 0 DEAERO CCC(CC)NC(=O)COc1c(F)cc(C[NH2+]C)cc1F ZINC000094346523 193363621 /nfs/dbraw/zinc/36/36/21/193363621.db2.gz NYULSUPCJXUTIQ-UHFFFAOYSA-N 1 0 300.349 2.368 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H](C)Oc1c(F)cc(C[NH3+])cc1F ZINC000094346195 193363706 /nfs/dbraw/zinc/36/37/06/193363706.db2.gz QGSGSOPLEMABND-VHSXEESVSA-N 1 0 300.349 2.496 10 0 DEAERO CC[NH2+]Cc1cc(F)c(OCCCC(=O)N(C)C)c(F)c1 ZINC000094347067 193363834 /nfs/dbraw/zinc/36/38/34/193363834.db2.gz NSSCZYKRBAGFAD-UHFFFAOYSA-N 1 0 300.349 2.322 10 0 DEAERO CCC[C@H](C[NH3+])N1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094051910 193341381 /nfs/dbraw/zinc/34/13/81/193341381.db2.gz RCGVIFZCIFQBBH-GFCCVEGCSA-N 1 0 300.809 2.124 10 0 DEAERO Cc1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])ncc1Br ZINC000094063642 193342474 /nfs/dbraw/zinc/34/24/74/193342474.db2.gz VRXFZLURSXXVOC-VHSXEESVSA-N 1 0 312.211 2.466 10 0 DEAERO C[NH2+]Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cn1 ZINC000094209062 193349742 /nfs/dbraw/zinc/34/97/42/193349742.db2.gz TXKYUYMRDNVXKU-UHFFFAOYSA-N 1 0 305.765 2.472 10 0 DEAERO CCC([NH3+])(CC)C(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000094244252 193354536 /nfs/dbraw/zinc/35/45/36/193354536.db2.gz NCAYUEWXLNKAGF-UHFFFAOYSA-N 1 0 300.305 2.207 10 0 DEAERO CC[NH+](CC)C(C)(C)[C@H](O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641324 193388632 /nfs/dbraw/zinc/38/86/32/193388632.db2.gz HRONOBNUADJUIB-MELADBBJSA-N 1 0 305.484 2.071 10 0 DEAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000094697667 193391214 /nfs/dbraw/zinc/39/12/14/193391214.db2.gz DKRZZCUMEKVZKD-JTQLQIEISA-N 1 0 309.797 2.394 10 0 DEAERO CCS(=O)(=O)c1ccc(NC(=O)[C@H](C[NH3+])CC(C)C)cc1 ZINC000094697651 193391908 /nfs/dbraw/zinc/39/19/08/193391908.db2.gz NDLUSELVECGYGE-LBPRGKRZSA-N 1 0 312.435 2.040 10 0 DEAERO COCC[N@H+](CCC(N)=S)[C@H]1CCOC2(CCCCC2)C1 ZINC000094376039 193367344 /nfs/dbraw/zinc/36/73/44/193367344.db2.gz STGRKSYVKFUBAB-AWEZNQCLSA-N 1 0 314.495 2.493 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CNc1nc(Br)cn2ccnc12 ZINC000094489915 193373226 /nfs/dbraw/zinc/37/32/26/193373226.db2.gz COKOTVBNLAPUHZ-JTQLQIEISA-N 1 0 324.226 2.388 10 0 DEAERO CCc1nn(CC)c(C[C@H]([NH3+])[C@@H]2CSCCO2)c1Cl ZINC000094502676 193374633 /nfs/dbraw/zinc/37/46/33/193374633.db2.gz UIJARIOTKYHEKA-CABZTGNLSA-N 1 0 303.859 2.121 10 0 DEAERO C[NH2+][C@@H]([C@@H]1CSCCS1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094499581 193374880 /nfs/dbraw/zinc/37/48/80/193374880.db2.gz OFEXOHYJCTXIDO-MELADBBJSA-N 1 0 317.520 2.399 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2c3ncsc3ccc2Cl)O1 ZINC000094565875 193381136 /nfs/dbraw/zinc/38/11/36/193381136.db2.gz JVCUKZXTHWOWPK-CBAPKCEASA-N 1 0 311.794 2.395 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)O1 ZINC000094571689 193381353 /nfs/dbraw/zinc/38/13/53/193381353.db2.gz GTZWNBCOELANIU-KCJUWKMLSA-N 1 0 306.259 2.289 10 0 DEAERO C[C@@H]([NH3+])C1CCN(c2nc3c(Br)cccn3n2)CC1 ZINC000094608159 193384457 /nfs/dbraw/zinc/38/44/57/193384457.db2.gz RLQGRHOBMNHFHQ-SECBINFHSA-N 1 0 324.226 2.055 10 0 DEAERO CN(c1nc2ccc(Br)cn2n1)C1CCC([NH3+])CC1 ZINC000094609155 193384492 /nfs/dbraw/zinc/38/44/92/193384492.db2.gz NLFFNFDOMBFOIC-UHFFFAOYSA-N 1 0 324.226 2.198 10 0 DEAERO [NH3+]CCC1CCN(c2nc3ccc(Br)cn3n2)CC1 ZINC000094608475 193384508 /nfs/dbraw/zinc/38/45/08/193384508.db2.gz ULUXWBFSJWWUCM-UHFFFAOYSA-N 1 0 324.226 2.057 10 0 DEAERO C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)Cc1ccc(OC)nc1 ZINC000094632659 193385171 /nfs/dbraw/zinc/38/51/71/193385171.db2.gz LXQIEUUBEGFFKV-GFCCVEGCSA-N 1 0 308.813 2.159 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H]([NH3+])[C@@]1(C)CCCO1 ZINC000094782584 193397816 /nfs/dbraw/zinc/39/78/16/193397816.db2.gz BIUIZCAKXHOUJT-DGCLKSJQSA-N 1 0 316.243 2.413 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)c1ccc[nH]1 ZINC000095085775 193419779 /nfs/dbraw/zinc/41/97/79/193419779.db2.gz URKLHOCTOUSOMO-GFCCVEGCSA-N 1 0 307.394 2.187 10 0 DEAERO O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)C1CC[NH2+]CC1 ZINC000237733924 284198511 /nfs/dbraw/zinc/19/85/11/284198511.db2.gz PAOOHYBDJFQOGU-AWEZNQCLSA-N 1 0 307.825 2.035 10 0 DEAERO COC1([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2C)CCOCC1 ZINC000453221905 245008717 /nfs/dbraw/zinc/00/87/17/245008717.db2.gz NSXIMIGKHKZNHH-WBVHZDCISA-N 1 0 307.434 2.072 10 0 DEAERO COc1ccccc1CC[NH2+]Cc1ccc(OCCO)cc1 ZINC000013719449 181883464 /nfs/dbraw/zinc/88/34/64/181883464.db2.gz ANPIOZDEIGTNHI-UHFFFAOYSA-N 1 0 301.386 2.399 10 0 DEAERO CCn1c(-c2cc(C)oc2C)nnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000282774447 217241617 /nfs/dbraw/zinc/24/16/17/217241617.db2.gz MCHPJRXFSBHTDC-CQSZACIVSA-N 1 0 315.421 2.459 10 0 DEAERO C[C@@H](CS(C)(=O)=O)n1c(N)[nH+]c2cc(Cl)c(F)cc21 ZINC000097364969 193710911 /nfs/dbraw/zinc/71/09/11/193710911.db2.gz QFOCEJQDFUTFKM-LURJTMIESA-N 1 0 305.762 2.017 10 0 DEAERO C[C@H]([NH2+]CCN1CCOCC1)c1ccccc1Br ZINC000019954332 182170296 /nfs/dbraw/zinc/17/02/96/182170296.db2.gz HSHGIQDHEXODBZ-LBPRGKRZSA-N 1 0 313.239 2.432 10 0 DEAERO [NH3+]C[C@H]1CCN(c2cccc(I)c2)C1 ZINC000020479391 182222407 /nfs/dbraw/zinc/22/24/07/182222407.db2.gz DVYAGXGCLXLTBJ-SECBINFHSA-N 1 0 302.159 2.076 10 0 DEAERO Cc1ccsc1[C@H](C[NH3+])N1CCN(c2nccs2)CC1 ZINC000020565497 182233103 /nfs/dbraw/zinc/23/31/03/182233103.db2.gz QOWWTZTYYGMDJJ-LBPRGKRZSA-N 1 0 308.476 2.335 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(C(N)=S)c1)[NH+]1CCC(C)CC1 ZINC000021813144 182293040 /nfs/dbraw/zinc/29/30/40/182293040.db2.gz MQQNVJGQTIUYFZ-LBPRGKRZSA-N 1 0 305.447 2.380 10 0 DEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000267441043 206068264 /nfs/dbraw/zinc/06/82/64/206068264.db2.gz PDSWPAJXBIVFLT-ZACQAIPSSA-N 1 0 304.434 2.467 10 0 DEAERO C[C@@H]1CN([C@H](C[NH3+])c2ccc(Br)o2)C[C@@H](C)O1 ZINC000022215192 182313743 /nfs/dbraw/zinc/31/37/43/182313743.db2.gz RQKWILGPCSQRSX-OPRDCNLKSA-N 1 0 303.200 2.151 10 0 DEAERO CCc1oc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1C ZINC000155451885 291606242 /nfs/dbraw/zinc/60/62/42/291606242.db2.gz BZSJLUAYFFSQPA-CQSZACIVSA-N 1 0 308.422 2.333 10 0 DEAERO COc1cc(C[NH2+]C(C)C)cc(Br)c1OCCO ZINC000036815074 182845291 /nfs/dbraw/zinc/84/52/91/182845291.db2.gz CAISYKFLEKNISM-UHFFFAOYSA-N 1 0 318.211 2.327 10 0 DEAERO CC(C)[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)C1(CO)CCCC1 ZINC000459548834 248645080 /nfs/dbraw/zinc/64/50/80/248645080.db2.gz YJSULDXUXURNND-OAHLLOKOSA-N 1 0 306.454 2.359 10 0 DEAERO CCOC(=O)CC[N@H+](C)C[C@@H](C(=O)OCC)c1ccccc1 ZINC000039286584 183016362 /nfs/dbraw/zinc/01/63/62/183016362.db2.gz ZWQJIPBVYNPNIG-OAHLLOKOSA-N 1 0 307.390 2.218 10 0 DEAERO C[N@@H+]1CCC[C@H](NC(=O)c2cc(F)ccc2Br)C1 ZINC000040452306 183068362 /nfs/dbraw/zinc/06/83/62/183068362.db2.gz GSYURXJIBNUSSB-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000040634078 183111847 /nfs/dbraw/zinc/11/18/47/183111847.db2.gz CXTIHTREPYZXBF-OLZOCXBDSA-N 1 0 303.387 2.126 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000040652747 183114261 /nfs/dbraw/zinc/11/42/61/183114261.db2.gz DZVPYWLMWBEHSL-CQSZACIVSA-N 1 0 317.433 2.274 10 0 DEAERO O=c1nc(N2CCC[NH2+]CC2)[nH]c2sc3c(c21)CCCCC3 ZINC000040691055 183118751 /nfs/dbraw/zinc/11/87/51/183118751.db2.gz JRJNJYMGDONCSM-UHFFFAOYSA-N 1 0 318.446 2.053 10 0 DEAERO CC[C@H]([NH3+])C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000040856313 183142614 /nfs/dbraw/zinc/14/26/14/183142614.db2.gz HSKHTOONYMMLBE-JTQLQIEISA-N 1 0 303.284 2.340 10 0 DEAERO COc1ccc([C@@H](NC(=O)[C@@H]([NH3+])CCSC)C2CC2)cc1 ZINC000040856195 183143042 /nfs/dbraw/zinc/14/30/42/183143042.db2.gz VVKSKKZSXYSVIZ-GJZGRUSLSA-N 1 0 308.447 2.343 10 0 DEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1F ZINC000040749929 183128778 /nfs/dbraw/zinc/12/87/78/183128778.db2.gz GUKUPJQSHBADKZ-FGWVZKOKSA-N 1 0 318.801 2.122 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C\c3ccnc4ccccc34)C[C@@H]12 ZINC000493315595 249275614 /nfs/dbraw/zinc/27/56/14/249275614.db2.gz GBHAGZBTRSAZOS-JNYFZCOASA-N 1 0 307.397 2.444 10 0 DEAERO CCc1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000041605161 183209462 /nfs/dbraw/zinc/20/94/62/183209462.db2.gz RZZNBJYHWMIDON-ZDUSSCGKSA-N 1 0 305.422 2.034 10 0 DEAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000042213869 183243202 /nfs/dbraw/zinc/24/32/02/183243202.db2.gz QGBRGRSFUBSGNA-RKDXNWHRSA-N 1 0 315.211 2.243 10 0 DEAERO CCOCCOC[C@@H](O)C[NH2+][C@H](c1cccs1)C(C)C ZINC000042320362 183254253 /nfs/dbraw/zinc/25/42/53/183254253.db2.gz NGYVCMGWPZHEPO-ZFWWWQNUSA-N 1 0 301.452 2.449 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1O[C@H]1CCC[C@@H]1O ZINC000042411602 183266003 /nfs/dbraw/zinc/26/60/03/183266003.db2.gz WSGHFGJYIXXDLR-RYUDHWBXSA-N 1 0 300.196 2.461 10 0 DEAERO C[C@@H](O)COc1c(Br)cccc1C[NH2+]C1CC1 ZINC000042411977 183266195 /nfs/dbraw/zinc/26/61/95/183266195.db2.gz JZBYJZVBZOGQEZ-SECBINFHSA-N 1 0 300.196 2.461 10 0 DEAERO COC(=O)CCCOc1c(Br)cccc1CC[NH3+] ZINC000042412711 183266300 /nfs/dbraw/zinc/26/63/00/183266300.db2.gz DBIHBIIUKLJLNG-UHFFFAOYSA-N 1 0 316.195 2.282 10 0 DEAERO CCC[NH2+]Cc1cccc(Br)c1OCCC(N)=O ZINC000042411787 183266346 /nfs/dbraw/zinc/26/63/46/183266346.db2.gz JDGBTMRJLHFQAP-UHFFFAOYSA-N 1 0 315.211 2.203 10 0 DEAERO C[C@@H](CN(C)CCOc1cccc(Br)c1)C(N)=[NH2+] ZINC000042459863 183272688 /nfs/dbraw/zinc/27/26/88/183272688.db2.gz TUSMFYIJFMYHII-JTQLQIEISA-N 1 0 314.227 2.332 10 0 DEAERO C[NH2+]Cc1ccc(Br)cc1N(CCO)C(C)C ZINC000042480247 183275203 /nfs/dbraw/zinc/27/52/03/183275203.db2.gz JLBRGSKSZOPTMR-UHFFFAOYSA-N 1 0 301.228 2.376 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](CN(C)Cc2csc(Br)c2)C1 ZINC000042365885 183259944 /nfs/dbraw/zinc/25/99/44/183259944.db2.gz AUOMOXUXIYCYSR-MNOVXSKESA-N 1 0 319.268 2.319 10 0 DEAERO CC[C@H](C)[N@H+](CCOC)CCOc1ccccc1C(N)=S ZINC000042583213 183287090 /nfs/dbraw/zinc/28/70/90/183287090.db2.gz LCFQOLMFVWXDOV-ZDUSSCGKSA-N 1 0 310.463 2.447 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000042609403 183290236 /nfs/dbraw/zinc/29/02/36/183290236.db2.gz VRMKSMSMLDORFY-CJNGLKHVSA-N 1 0 310.463 2.486 10 0 DEAERO CC[NH+]1CCC(N(C)c2nc(C)cc(C)c2C(N)=S)CC1 ZINC000042681610 183296375 /nfs/dbraw/zinc/29/63/75/183296375.db2.gz VYNPARUJIDXWTI-UHFFFAOYSA-N 1 0 306.479 2.253 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)N1CCCC1 ZINC000042946065 183319775 /nfs/dbraw/zinc/31/97/75/183319775.db2.gz OTAFUFTYPPSWEX-WBMJQRKESA-N 1 0 309.841 2.283 10 0 DEAERO COc1ccc([C@H](Sc2nnnn2C2CC2)[C@H](C)[NH3+])cc1 ZINC000042964651 183324348 /nfs/dbraw/zinc/32/43/48/183324348.db2.gz OQQGQJAJPMTSND-TVQRCGJNSA-N 1 0 305.407 2.197 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCN(C(C)=O)CC1 ZINC000042975053 183325434 /nfs/dbraw/zinc/32/54/34/183325434.db2.gz GEVINLHCOPPAMS-HZPDHXFCSA-N 1 0 309.841 2.283 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CC(=O)NC1CC1 ZINC000043014414 183327536 /nfs/dbraw/zinc/32/75/36/183327536.db2.gz SYLSHAJZKYEIAD-ZBFHGGJFSA-N 1 0 309.841 2.329 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1ccccc1F ZINC000043050349 183332832 /nfs/dbraw/zinc/33/28/32/183332832.db2.gz WRXHWOLTMDHAEY-GXFFZTMASA-N 1 0 307.398 2.351 10 0 DEAERO Cn1cnnc1S[C@H](C[NH3+])c1ccccc1Br ZINC000043095897 183337738 /nfs/dbraw/zinc/33/77/38/183337738.db2.gz YASYCSURIJXKRA-SNVBAGLBSA-N 1 0 313.224 2.370 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCCN(C(C)=O)CC1 ZINC000043243203 183346596 /nfs/dbraw/zinc/34/65/96/183346596.db2.gz MYBGKHJDCJVHNM-HOCLYGCPSA-N 1 0 309.479 2.389 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(C)CC(=O)N1CCCC1 ZINC000043253439 183347672 /nfs/dbraw/zinc/34/76/72/183347672.db2.gz WCGXNWCUWRRZIW-HZMBPMFUSA-N 1 0 315.870 2.344 10 0 DEAERO CC(=O)N1CCCN([C@H](c2ccc(Cl)s2)[C@@H](C)[NH3+])CC1 ZINC000043254139 183347837 /nfs/dbraw/zinc/34/78/37/183347837.db2.gz IXPAGFMYBAZTHB-YGRLFVJLSA-N 1 0 315.870 2.344 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1nnnn1C)c1ccc(Cl)s1 ZINC000043256860 183347871 /nfs/dbraw/zinc/34/78/71/183347871.db2.gz JXTDCZKWMWGCJH-RCOVLWMOSA-N 1 0 303.844 2.496 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CCC(O)CC1 ZINC000043258811 183348400 /nfs/dbraw/zinc/34/84/00/183348400.db2.gz ALEXZEHWKQXYFY-UFBFGSQYSA-N 1 0 319.268 2.356 10 0 DEAERO Cc1ccc([C@H](Oc2cccc(S(C)(=O)=O)c2)[C@@H](C)[NH3+])o1 ZINC000043366995 183357308 /nfs/dbraw/zinc/35/73/08/183357308.db2.gz LTOFSEPSVKDLHS-IAQYHMDHSA-N 1 0 309.387 2.459 10 0 DEAERO Cc1ccc([C@H](Oc2ccc(S(C)(=O)=O)cc2)[C@@H](C)[NH3+])o1 ZINC000043366989 183357590 /nfs/dbraw/zinc/35/75/90/183357590.db2.gz UJBJXWSZZTXMIH-IAQYHMDHSA-N 1 0 309.387 2.459 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CCO ZINC000043092343 183335729 /nfs/dbraw/zinc/33/57/29/183335729.db2.gz KOOFWOKNRLYBDR-QWHCGFSZSA-N 1 0 301.228 2.152 10 0 DEAERO C[N@@H+]1CCC[C@H](Nc2nc3c(cc2C(N)=S)CCCC3)C1 ZINC000043410900 183360371 /nfs/dbraw/zinc/36/03/71/183360371.db2.gz NGVCWPAQYYBGKS-LBPRGKRZSA-N 1 0 304.463 2.101 10 0 DEAERO C[C@H](Cc1ccc(O)cc1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105181349 194082591 /nfs/dbraw/zinc/08/25/91/194082591.db2.gz QCLFKHWRDDVYAJ-GDBMZVCRSA-N 1 0 317.433 2.203 10 0 DEAERO Cc1noc(C)c1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105806247 194133992 /nfs/dbraw/zinc/13/39/92/194133992.db2.gz JIFPSWYZISNHIL-UHFFFAOYSA-N 1 0 301.394 2.182 10 0 DEAERO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886640 194157786 /nfs/dbraw/zinc/15/77/86/194157786.db2.gz HSNIDKZRTQIZFT-MRXNPFEDSA-N 1 0 318.465 2.386 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2ncc(-c3ccc(F)cc3)o2)CCO1 ZINC000105926129 194171562 /nfs/dbraw/zinc/17/15/62/194171562.db2.gz KTSAGHGRXYPKLB-OAHLLOKOSA-N 1 0 319.380 2.243 10 0 DEAERO CO[C@H]1C[C@@H](CN(C)C(=O)c2nccc3ccccc32)[N@H+](C)C1 ZINC000285338785 218388550 /nfs/dbraw/zinc/38/85/50/218388550.db2.gz WASNVRLGZPMUFF-GJZGRUSLSA-N 1 0 313.401 2.026 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000109436560 194263249 /nfs/dbraw/zinc/26/32/49/194263249.db2.gz ONSKYZZSVLGXBM-PWSUYJOCSA-N 1 0 313.195 2.073 10 0 DEAERO CC(C)(C(N)=S)[NH+]1CCN(Cc2ccc(F)cc2F)CC1 ZINC000109470833 194266595 /nfs/dbraw/zinc/26/65/95/194266595.db2.gz DLLOQTXAGHHZJW-UHFFFAOYSA-N 1 0 313.417 2.147 10 0 DEAERO C[C@@H](C(N)=S)[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000109468552 194266745 /nfs/dbraw/zinc/26/67/45/194266745.db2.gz TWJFRDVMLIOBHW-JTQLQIEISA-N 1 0 315.845 2.271 10 0 DEAERO CCN(C(=O)c1cccc(F)c1Br)[C@@H]1CC[NH2+]C1 ZINC000155989147 197079038 /nfs/dbraw/zinc/07/90/38/197079038.db2.gz BKFOJHZGVRSAMA-SECBINFHSA-N 1 0 315.186 2.412 10 0 DEAERO C[NH2+][C@@H](CN1CCN(C)C1=O)c1cccc(C(F)(F)F)c1 ZINC000052885691 183878910 /nfs/dbraw/zinc/87/89/10/183878910.db2.gz PHVDWJLEBQTAKN-LBPRGKRZSA-N 1 0 301.312 2.333 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc2c(c1)NC(=O)CS2 ZINC000054307244 183933743 /nfs/dbraw/zinc/93/37/43/183933743.db2.gz IVGIGWPBLRWFJQ-JTQLQIEISA-N 1 0 305.403 2.059 10 0 DEAERO CN(CC1CCCC1)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000110838671 194363270 /nfs/dbraw/zinc/36/32/70/194363270.db2.gz RZPNBJCJASXBRF-UHFFFAOYSA-N 1 0 300.399 2.095 10 0 DEAERO COc1cc(CN(C)[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000110928747 194371202 /nfs/dbraw/zinc/37/12/02/194371202.db2.gz VUEBFVONCPWTIU-GFCCVEGCSA-N 1 0 300.349 2.480 10 0 DEAERO CCc1ccc(S(=O)(=O)N(CC)[C@@H]2CCC[NH2+]C2)s1 ZINC000110941612 194372642 /nfs/dbraw/zinc/37/26/42/194372642.db2.gz BWCITZYWLXXWNK-LLVKDONJSA-N 1 0 302.465 2.073 10 0 DEAERO CCN(C(=O)c1cncc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000110939339 194372661 /nfs/dbraw/zinc/37/26/61/194372661.db2.gz CIEBQLDKYAHSJY-LBPRGKRZSA-N 1 0 312.211 2.058 10 0 DEAERO CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@H]([N@H+](C)CCOC(C)C)C1 ZINC000157510715 197192553 /nfs/dbraw/zinc/19/25/53/197192553.db2.gz AIQFYQYXDXZCDT-HOCLYGCPSA-N 1 0 300.443 2.107 10 0 DEAERO CC(C)[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)[NH+]1CCCC1 ZINC000058843389 184129689 /nfs/dbraw/zinc/12/96/89/184129689.db2.gz QSWPZAWUOJPPLX-HNNXBMFYSA-N 1 0 306.454 2.488 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000061290791 184167521 /nfs/dbraw/zinc/16/75/21/184167521.db2.gz MNPKFGYTBDUHGV-UHFFFAOYSA-N 1 0 307.785 2.247 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000061290138 184167591 /nfs/dbraw/zinc/16/75/91/184167591.db2.gz JCXKBKVAQAVQCC-UHFFFAOYSA-N 1 0 311.813 2.368 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCCNc1nc(Cl)nc(N(C)C)n1 ZINC000061536459 184172646 /nfs/dbraw/zinc/17/26/46/184172646.db2.gz HWGLFSYMRQXRSM-NSHDSACASA-N 1 0 312.849 2.267 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1cccc(Cl)c1 ZINC000061592733 184175682 /nfs/dbraw/zinc/17/56/82/184175682.db2.gz ZJWLHDJDXDAWHH-WDEREUQCSA-N 1 0 312.826 2.333 10 0 DEAERO Cc1ccc([C@@H](Sc2n[nH]c(=O)n2C2CC2)[C@@H](C)[NH3+])s1 ZINC000061594695 184175980 /nfs/dbraw/zinc/17/59/80/184175980.db2.gz WLCQLFYLHHVTTR-KCJUWKMLSA-N 1 0 310.448 2.457 10 0 DEAERO Cc1cccc([C@@H](Sc2n[nH]c(=O)n2C2CC2)[C@H](C)[NH3+])c1 ZINC000061594555 184176176 /nfs/dbraw/zinc/17/61/76/184176176.db2.gz YEVLETRLARRNKX-GWCFXTLKSA-N 1 0 304.419 2.395 10 0 DEAERO CCCn1c(S[C@@H](c2ccc(C)o2)[C@@H]([NH3+])CC)n[nH]c1=O ZINC000061594979 184176608 /nfs/dbraw/zinc/17/66/08/184176608.db2.gz OETRREZILXVHIQ-CMPLNLGQSA-N 1 0 310.423 2.454 10 0 DEAERO C[NH+](C)CCN1CCN(Cc2nc(Cl)ccc2Cl)CC1 ZINC000061644145 184180171 /nfs/dbraw/zinc/18/01/71/184180171.db2.gz BEMBPFQDEOYRNL-UHFFFAOYSA-N 1 0 317.264 2.068 10 0 DEAERO COc1ccc(Br)cc1[C@@H]([NH3+])C[C@@H](C)CC(N)=O ZINC000061830212 184188880 /nfs/dbraw/zinc/18/88/80/184188880.db2.gz ZDUJJEUIJNGLAD-KCJUWKMLSA-N 1 0 315.211 2.359 10 0 DEAERO Cc1cc(S(=O)(=O)NCc2ccccc2C[NH3+])c(C)s1 ZINC000061841293 184189332 /nfs/dbraw/zinc/18/93/32/184189332.db2.gz FTXBKYBFUHXJPH-UHFFFAOYSA-N 1 0 310.444 2.302 10 0 DEAERO C[C@H](CCNS(=O)(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000061911514 184194775 /nfs/dbraw/zinc/19/47/75/184194775.db2.gz CJYFFXGVLVRAQZ-HUUCEWRRSA-N 1 0 310.463 2.099 10 0 DEAERO CC[NH2+]Cc1cc(Br)cnc1N1CCCOCC1 ZINC000061935338 184196891 /nfs/dbraw/zinc/19/68/91/184196891.db2.gz BUIHXQFXLMFKKE-UHFFFAOYSA-N 1 0 314.227 2.180 10 0 DEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941247 184197332 /nfs/dbraw/zinc/19/73/32/184197332.db2.gz VYQLEKFOILSDKG-KGLIPLIRSA-N 1 0 307.404 2.477 10 0 DEAERO CC[C@H]1CC[C@@H]([NH2+]C)[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061941066 184197530 /nfs/dbraw/zinc/19/75/30/184197530.db2.gz BGKWCNRTJTUAFW-BFHYXJOUSA-N 1 0 307.404 2.333 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000554724330 291778959 /nfs/dbraw/zinc/77/89/59/291778959.db2.gz CYXLSISRKBEYBZ-IAGOWNOFSA-N 1 0 322.474 2.442 10 0 DEAERO COCCCN(C)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000062029707 184202250 /nfs/dbraw/zinc/20/22/50/184202250.db2.gz IWQVAEFRSILOFQ-LBPRGKRZSA-N 1 0 300.786 2.037 10 0 DEAERO C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000062190494 184217697 /nfs/dbraw/zinc/21/76/97/184217697.db2.gz FRUAPBDPFIGAGN-NSHDSACASA-N 1 0 310.444 2.116 10 0 DEAERO [NH3+]C[C@H](c1ccccc1Br)N1CCn2ccnc2C1 ZINC000062246031 184225209 /nfs/dbraw/zinc/22/52/09/184225209.db2.gz KIPLGUFWJKYZSI-CYBMUJFWSA-N 1 0 321.222 2.161 10 0 DEAERO CCO[C@H](C[NH3+])CN(C)Cc1cccc(Br)c1 ZINC000062739659 184252080 /nfs/dbraw/zinc/25/20/80/184252080.db2.gz XEPYMGIPPKSPNQ-CYBMUJFWSA-N 1 0 301.228 2.245 10 0 DEAERO COCC[NH2+]Cc1ccccc1-n1cc(Br)cn1 ZINC000062738741 184252130 /nfs/dbraw/zinc/25/21/30/184252130.db2.gz RZWLTTQSVSUANV-UHFFFAOYSA-N 1 0 310.195 2.371 10 0 DEAERO CC[NH2+]Cc1ccc(O[C@@H]2CCOC2=O)c(Br)c1 ZINC000062701174 184247582 /nfs/dbraw/zinc/24/75/82/184247582.db2.gz QTSIJBYTZSJZGN-GFCCVEGCSA-N 1 0 314.179 2.253 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000063213777 184278756 /nfs/dbraw/zinc/27/87/56/184278756.db2.gz RRFHMVTXNPLLSZ-UWVGGRQHSA-N 1 0 322.352 2.042 10 0 DEAERO CCOc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000063213714 184278900 /nfs/dbraw/zinc/27/89/00/184278900.db2.gz ZNJZZBGIZPRGRC-HUUCEWRRSA-N 1 0 312.435 2.024 10 0 DEAERO CC[NH2+][C@H](C)CCc1ccc(OCCCS(C)(=O)=O)cc1 ZINC000063014369 184266533 /nfs/dbraw/zinc/26/65/33/184266533.db2.gz ZACKYBPQFYUEPC-CQSZACIVSA-N 1 0 313.463 2.431 10 0 DEAERO CCC[NH2+][C@H](CC)c1c(C)nn(CCCS(C)(=O)=O)c1C ZINC000063018584 184267392 /nfs/dbraw/zinc/26/73/92/184267392.db2.gz UXGMPUWGZHTBBH-CQSZACIVSA-N 1 0 315.483 2.385 10 0 DEAERO CC(C)(C[NH3+])Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000063020938 184267490 /nfs/dbraw/zinc/26/74/90/184267490.db2.gz AIZLAUIMRAITIR-UHFFFAOYSA-N 1 0 314.304 2.268 10 0 DEAERO Cc1cc(C)c(C(N)=S)c(N(C)CC2CC[NH+](C)CC2)n1 ZINC000063124864 184271515 /nfs/dbraw/zinc/27/15/15/184271515.db2.gz KJPVDIZSCKHALF-UHFFFAOYSA-N 1 0 306.479 2.111 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH2+]C(C)C)C2)s1 ZINC000063138633 184273156 /nfs/dbraw/zinc/27/31/56/184273156.db2.gz BZARJMCIZBTGBX-ZDUSSCGKSA-N 1 0 316.492 2.455 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000063175985 184276868 /nfs/dbraw/zinc/27/68/68/184276868.db2.gz JUUCLPUXPDXWMJ-GHMZBOCLSA-N 1 0 309.218 2.152 10 0 DEAERO COc1ccc([C@@H]2NCCc3nc[nH]c32)cc1C[NH+]1CCCC1 ZINC000065408285 184339037 /nfs/dbraw/zinc/33/90/37/184339037.db2.gz UXTZQWBOZSHQKE-KRWDZBQOSA-N 1 0 312.417 2.249 10 0 DEAERO COc1cc(C[NH2+]Cc2cccnc2-n2cccn2)ccc1O ZINC000192945826 207370177 /nfs/dbraw/zinc/37/01/77/207370177.db2.gz WLIBNTVEPWBLNR-UHFFFAOYSA-N 1 0 310.357 2.271 10 0 DEAERO COc1ccccc1S(=O)(=O)Cc1ccc(F)cc1C[NH3+] ZINC000068609488 184493557 /nfs/dbraw/zinc/49/35/57/184493557.db2.gz HQIWPVZZCVYNAP-UHFFFAOYSA-N 1 0 309.362 2.267 10 0 DEAERO O=C1[C@@H]([NH2+][C@H]2CCc3ccccc32)CCN1C1CCOCC1 ZINC000358201219 284981576 /nfs/dbraw/zinc/98/15/76/284981576.db2.gz JKTWXPCNBJDWBP-IRXDYDNUSA-N 1 0 300.402 2.043 10 0 DEAERO Brc1cc2cccnc2c(CN2CC[NH2+]CC2)c1 ZINC000261618666 532959270 /nfs/dbraw/zinc/95/92/70/532959270.db2.gz BPRMCSUSGSKAQH-UHFFFAOYSA-N 1 0 306.207 2.403 10 0 DEAERO Cn1ncc(Br)c1[C@H]([NH3+])[C@H]1Cc2ccccc2O1 ZINC000161969962 197533517 /nfs/dbraw/zinc/53/35/17/197533517.db2.gz SMXFEONRRGQARQ-VXGBXAGGSA-N 1 0 308.179 2.186 10 0 DEAERO COCCCOc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000538316666 285031322 /nfs/dbraw/zinc/03/13/22/285031322.db2.gz HEQBGTCOQPKQMF-UHFFFAOYSA-N 1 0 308.422 2.126 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](c3ccsc3)C2)C1 ZINC000119733194 195026768 /nfs/dbraw/zinc/02/67/68/195026768.db2.gz OIPGEKAFAWMPRD-GJZGRUSLSA-N 1 0 323.462 2.315 10 0 DEAERO CCN(CCc1nccs1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000119727762 195026775 /nfs/dbraw/zinc/02/67/75/195026775.db2.gz GHODYBBLIKXGBJ-CQSZACIVSA-N 1 0 324.494 2.449 10 0 DEAERO [NH3+][C@@H](c1cc(F)cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000159215641 197337588 /nfs/dbraw/zinc/33/75/88/197337588.db2.gz KLFZBSYOXQUJBR-WRWORJQWSA-N 1 0 311.300 2.279 10 0 DEAERO O=C(NCC[NH+]1CCCCC1)c1ncsc1Br ZINC000288623067 220298666 /nfs/dbraw/zinc/29/86/66/220298666.db2.gz LNYUNNGFOHYNST-UHFFFAOYSA-N 1 0 318.240 2.121 10 0 DEAERO COc1cc2c(cc1[C@@H](C[NH3+])N1CCSCC1)O[C@@H](C)C2 ZINC000159053812 197322351 /nfs/dbraw/zinc/32/23/51/197322351.db2.gz ZNNPURILVWNACL-SMDDNHRTSA-N 1 0 308.447 2.067 10 0 DEAERO COCCOCCCC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000159132753 197330081 /nfs/dbraw/zinc/33/00/81/197330081.db2.gz HLJYHHLJJXFDHB-HNNXBMFYSA-N 1 0 303.349 2.031 10 0 DEAERO CCC[NH2+][C@H]1CCN(c2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000158938482 197312930 /nfs/dbraw/zinc/31/29/30/197312930.db2.gz ZWUKNDCGLPUEOS-LURJTMIESA-N 1 0 308.250 2.487 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Cc1csc(-c2ccoc2)n1 ZINC000540516585 285119384 /nfs/dbraw/zinc/11/93/84/285119384.db2.gz OBBFYKXMKZUQDJ-UHFFFAOYSA-N 1 0 307.419 2.356 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(NC(C)=O)n1 ZINC000159001250 197318312 /nfs/dbraw/zinc/31/83/12/197318312.db2.gz NSAISQPVSMXCMA-UONOGXRCSA-N 1 0 308.451 2.160 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)CCCOC)C1CCCCC1 ZINC000158860299 197307432 /nfs/dbraw/zinc/30/74/32/197307432.db2.gz YSDRMFKLSDPSTK-HNNXBMFYSA-N 1 0 305.484 2.386 10 0 DEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N2CCSC(C)(C)C2)c1 ZINC000158873530 197306924 /nfs/dbraw/zinc/30/69/24/197306924.db2.gz VTUFXAUJBMEFQD-LLVKDONJSA-N 1 0 314.476 2.222 10 0 DEAERO C[C@H]([C@H](O)c1c(Br)cnn1CC[NH+](C)C)C1CC1 ZINC000158856082 197306494 /nfs/dbraw/zinc/30/64/94/197306494.db2.gz AURLOYXPMFCPMH-ZANVPECISA-N 1 0 316.243 2.287 10 0 DEAERO C[C@@H]1C[C@H](n2c(N)nc3cc(Br)cnc32)CC[N@@H+]1C ZINC000158663425 197292894 /nfs/dbraw/zinc/29/28/94/197292894.db2.gz UJKCOGRZSFFCPL-PSASIEDQSA-N 1 0 324.226 2.431 10 0 DEAERO [NH3+][C@@H](c1ccc2c3c(cccc31)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000158780135 197300856 /nfs/dbraw/zinc/30/08/56/197300856.db2.gz BJABGPNOWXBLKX-CXAGYDPISA-N 1 0 301.411 2.373 10 0 DEAERO C[NH2+]Cc1sc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1C ZINC000158768254 197299816 /nfs/dbraw/zinc/29/98/16/197299816.db2.gz GXCVGXXNZLPMIL-TXEJJXNPSA-N 1 0 314.476 2.197 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(Cc3nc(-c4ccoc4)no3)CC[C@@H]21 ZINC000158758528 197298864 /nfs/dbraw/zinc/29/88/64/197298864.db2.gz GGOVKTKOQULNBC-JSGCOSHPSA-N 1 0 302.378 2.246 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)s1 ZINC000158744986 197297981 /nfs/dbraw/zinc/29/79/81/197297981.db2.gz QLJMWCIXFZOIIO-TXEJJXNPSA-N 1 0 314.476 2.278 10 0 DEAERO CC(C)CO[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000158618407 197288938 /nfs/dbraw/zinc/28/89/38/197288938.db2.gz YQGKPABRTDSZGN-JKSUJKDBSA-N 1 0 313.486 2.419 10 0 DEAERO CC[NH2+][C@@H](c1cscn1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000158593753 197287091 /nfs/dbraw/zinc/28/70/91/197287091.db2.gz SRCAAKTVDJEEHX-GMXVVIOVSA-N 1 0 302.465 2.397 10 0 DEAERO CC[NH2+][C@@H](c1cscn1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000158593476 197287020 /nfs/dbraw/zinc/28/70/20/197287020.db2.gz SRCAAKTVDJEEHX-NTZNESFSSA-N 1 0 302.465 2.397 10 0 DEAERO Cn1cc(-n2c(N)[nH+]c3cc(F)c(Br)cc32)cn1 ZINC000158447835 197272770 /nfs/dbraw/zinc/27/27/70/197272770.db2.gz VPBPNOCIKJKSLN-UHFFFAOYSA-N 1 0 310.130 2.243 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000158257864 197257724 /nfs/dbraw/zinc/25/77/24/197257724.db2.gz HLDRUELMFWHZBH-SECBINFHSA-N 1 0 310.419 2.337 10 0 DEAERO CCOC(=O)c1c(NC(=O)C[C@H](C)C[NH3+])sc2c1CCC2 ZINC000158244023 197256187 /nfs/dbraw/zinc/25/61/87/197256187.db2.gz ZIIHHHOITUWUTK-VIFPVBQESA-N 1 0 310.419 2.337 10 0 DEAERO Cc1nnc([C@H](NC(=O)c2ccc(C[NH3+])cc2)c2ccccc2)[nH]1 ZINC000158130693 197246928 /nfs/dbraw/zinc/24/69/28/197246928.db2.gz UYVNIPCBCMVKIM-MRXNPFEDSA-N 1 0 321.384 2.091 10 0 DEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(F)c(Br)c1 ZINC000157915545 197226732 /nfs/dbraw/zinc/22/67/32/197226732.db2.gz ZIDVYZGSJVWYBM-IONNQARKSA-N 1 0 301.159 2.382 10 0 DEAERO O=S1CCC([NH2+]Cc2ccc(O)c(Br)c2)CC1 ZINC000157904578 197225791 /nfs/dbraw/zinc/22/57/91/197225791.db2.gz SLRHZVCCABWCIL-UHFFFAOYSA-N 1 0 318.236 2.155 10 0 DEAERO C[C@@H]1CN(c2cc(Br)c(F)cc2N)CC[N@@H+]1C ZINC000157889250 197223514 /nfs/dbraw/zinc/22/35/14/197223514.db2.gz MBJHEHGKGAOIDL-MRVPVSSYSA-N 1 0 302.191 2.311 10 0 DEAERO CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]([N@H+](C)CCOC(C)C)C1 ZINC000157526441 197194400 /nfs/dbraw/zinc/19/44/00/197194400.db2.gz LKLDYGSEKOJHAH-ZBFHGGJFSA-N 1 0 300.443 2.109 10 0 DEAERO C[NH2+][C@H](Cc1cccc(F)c1Br)C(OC)OC ZINC000157453730 197188117 /nfs/dbraw/zinc/18/81/17/197188117.db2.gz OSEYKPIEMHFJCT-SNVBAGLBSA-N 1 0 306.175 2.338 10 0 DEAERO C[C@@]1(CNC(=O)c2c[nH+]c(NN)c(Cl)c2)CCCS1 ZINC000157175721 197167760 /nfs/dbraw/zinc/16/77/60/197167760.db2.gz PQRWNCLOZPZFGQ-LBPRGKRZSA-N 1 0 300.815 2.036 10 0 DEAERO O[C@H](Cc1cccc(F)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000157134956 197164751 /nfs/dbraw/zinc/16/47/51/197164751.db2.gz WZORQHZNJKDJNY-ZYHUDNBSSA-N 1 0 302.187 2.491 10 0 DEAERO CCc1oc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1C ZINC000157135650 197164498 /nfs/dbraw/zinc/16/44/98/197164498.db2.gz GPBBEPUERMMTQG-CQSZACIVSA-N 1 0 320.433 2.476 10 0 DEAERO Cc1cc2sc(C(=O)N3CCC([NH3+])CC3)c(N)c2c(C)n1 ZINC000157011134 197155792 /nfs/dbraw/zinc/15/57/92/197155792.db2.gz URXLSTNXMVNUKM-UHFFFAOYSA-N 1 0 304.419 2.059 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@@H](C)[C@@H](C)[NH3+])CCCC2 ZINC000156825188 197142723 /nfs/dbraw/zinc/14/27/23/197142723.db2.gz GXPFNYWUMAAQPF-DTWKUNHWSA-N 1 0 310.419 2.335 10 0 DEAERO C[C@@](O)(C[C@@H]1COCC[NH2+]1)c1cc(Br)ccc1F ZINC000156885734 197147688 /nfs/dbraw/zinc/14/76/88/197147688.db2.gz ISHVGCZHQPMHLJ-ZWNOBZJWSA-N 1 0 318.186 2.174 10 0 DEAERO C[C@@H](C(=O)NCc1cc(Br)ccc1F)[C@H](C)[NH3+] ZINC000156841498 197144695 /nfs/dbraw/zinc/14/46/95/197144695.db2.gz JIKPKZARPKATBX-SFYZADRCSA-N 1 0 303.175 2.188 10 0 DEAERO C[C@](O)(C[C@H]1COCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000156821461 197143286 /nfs/dbraw/zinc/14/32/86/197143286.db2.gz WNXQGUHHCBKIFS-AAEUAGOBSA-N 1 0 305.296 2.171 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1nc(SC)ns1 ZINC000156812226 197142363 /nfs/dbraw/zinc/14/23/63/197142363.db2.gz UCCJNDFIPOLOOP-SECBINFHSA-N 1 0 315.468 2.208 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000156709276 197135270 /nfs/dbraw/zinc/13/52/70/197135270.db2.gz GZYVZRPKFGPNLR-HRCADAONSA-N 1 0 309.454 2.214 10 0 DEAERO C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000156650975 197130693 /nfs/dbraw/zinc/13/06/93/197130693.db2.gz IKOXHHAFPYAXRE-GJZGRUSLSA-N 1 0 314.437 2.187 10 0 DEAERO C[NH+](C)C1(CNC(=O)c2cccc3ncnn32)CCCCCC1 ZINC000542008324 285205208 /nfs/dbraw/zinc/20/52/08/285205208.db2.gz CBXOJFYOBZHNGE-UHFFFAOYSA-N 1 0 315.421 2.114 10 0 DEAERO C[C@H]([NH3+])[C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000156546799 197121964 /nfs/dbraw/zinc/12/19/64/197121964.db2.gz GOXZZHPNNQWNIX-OIBJUYFYSA-N 1 0 309.719 2.306 10 0 DEAERO O[C@@H](C[NH2+]C[C@@H]1CCCCS1)c1ccc2c(c1)OCCO2 ZINC000156455064 197114297 /nfs/dbraw/zinc/11/42/97/197114297.db2.gz YAPTTYPKTMYYGS-KBPBESRZSA-N 1 0 309.431 2.367 10 0 DEAERO O=C(NC[C@@H]1CCCCS1)c1cccn1C1CC[NH2+]CC1 ZINC000156409768 197110941 /nfs/dbraw/zinc/11/09/41/197110941.db2.gz SVWOVIFBGFZXAD-AWEZNQCLSA-N 1 0 307.463 2.428 10 0 DEAERO Cc1ccccc1[S@](=O)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000156013806 197080746 /nfs/dbraw/zinc/08/07/46/197080746.db2.gz BVFQKJAJDXLWLN-NRFANRHFSA-N 1 0 302.399 2.200 10 0 DEAERO O=C(NC[C@@H]1CCC[NH2+]1)c1cccc(F)c1Br ZINC000155981258 197078250 /nfs/dbraw/zinc/07/82/50/197078250.db2.gz SULYFGRSZYVTFB-QMMMGPOBSA-N 1 0 301.159 2.070 10 0 DEAERO CCNS(=O)(=O)c1ccc(N[C@@](C)(C[NH3+])CC(C)C)cc1 ZINC000155928527 197075489 /nfs/dbraw/zinc/07/54/89/197075489.db2.gz SOFBTSTXCUKWFQ-OAHLLOKOSA-N 1 0 313.467 2.160 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1CCCN1c1nccs1)C(C)(C)C[NH+](C)C ZINC000155074213 197019502 /nfs/dbraw/zinc/01/95/02/197019502.db2.gz KYFLOJXOEWKXGO-OLZOCXBDSA-N 1 0 324.494 2.204 10 0 DEAERO C[C@H](NC(=O)[C@H]1CCCN1c1nccs1)C(C)(C)C[NH+](C)C ZINC000155074322 197019518 /nfs/dbraw/zinc/01/95/18/197019518.db2.gz 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CC(C)[C@@H]1C[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000185923452 144971343 /nfs/dbraw/zinc/97/13/43/144971343.db2.gz IOEKSVNZGRQSEB-JKSUJKDBSA-N 1 0 308.466 2.430 10 0 DEAERO COc1cccc(CCC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186488738 144983299 /nfs/dbraw/zinc/98/32/99/144983299.db2.gz LQCSUJFVQKLNFO-HNNXBMFYSA-N 1 0 302.418 2.371 10 0 DEAERO COC[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)C1CCOCC1 ZINC000188304229 145009814 /nfs/dbraw/zinc/00/98/14/145009814.db2.gz NJTIUYGRNDBHLF-JKSUJKDBSA-N 1 0 313.438 2.093 10 0 DEAERO O=C(Nc1ccc(Sc2nncs2)cc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188465168 145012809 /nfs/dbraw/zinc/01/28/09/145012809.db2.gz URAJOVKSZMGOLU-GZMMTYOYSA-N 1 0 324.406 2.328 10 0 DEAERO O=C([C@H]1C[C@H]1c1cccc(F)c1F)N1CC[NH+]2CCC1CC2 ZINC000188668570 145015609 /nfs/dbraw/zinc/01/56/09/145015609.db2.gz YUTSRXMUGPZWHW-KBPBESRZSA-N 1 0 306.356 2.375 10 0 DEAERO CCc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000188802707 145017744 /nfs/dbraw/zinc/01/77/44/145017744.db2.gz XADSWGHXIBPMIE-SFHVURJKSA-N 1 0 316.445 2.320 10 0 DEAERO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccoc1 ZINC000189011484 145020896 /nfs/dbraw/zinc/02/08/96/145020896.db2.gz URKBRWADTHZFON-DOMZBBRYSA-N 1 0 306.312 2.433 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)on1 ZINC000189030676 145021005 /nfs/dbraw/zinc/02/10/05/145021005.db2.gz QWQZWEPICULOJT-SMDDNHRTSA-N 1 0 321.327 2.137 10 0 DEAERO Cc1cc(F)cc2[nH]c(C(=O)NCC[N@@H+]3CCCOCC3)cc21 ZINC000189378002 145027211 /nfs/dbraw/zinc/02/72/11/145027211.db2.gz KJQRCIXUAUWPGV-UHFFFAOYSA-N 1 0 319.380 2.068 10 0 DEAERO Cc1nn(C)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000189620048 145030898 /nfs/dbraw/zinc/03/08/98/145030898.db2.gz IBNNUNDOYIZIDP-KGLIPLIRSA-N 1 0 305.426 2.208 10 0 DEAERO O=C(Nc1cccc2ccccc21)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189803777 145034522 /nfs/dbraw/zinc/03/45/22/145034522.db2.gz JNNJYNGNPGBDOB-UHFFFAOYSA-N 1 0 323.396 2.085 10 0 DEAERO CC[N@H+](CC(=O)N1CCC(Nc2nccs2)CC1)C1CC1 ZINC000190388462 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RZITWPBQHOWIPI-AWEZNQCLSA-N 1 0 322.359 2.433 10 0 DEAERO COc1ccccc1C1(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261775205 145224747 /nfs/dbraw/zinc/22/47/47/145224747.db2.gz GZYORUJCFMEZGE-HNNXBMFYSA-N 1 0 302.418 2.313 10 0 DEAERO CCOc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000261808194 145228836 /nfs/dbraw/zinc/22/88/36/145228836.db2.gz VLWPKLJDWKMEKY-XYPWUTKMSA-N 1 0 317.433 2.239 10 0 DEAERO CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)C2 ZINC000261814414 145229675 /nfs/dbraw/zinc/22/96/75/145229675.db2.gz MCQIMTSDJDOYAD-ZIAGYGMSSA-N 1 0 318.465 2.001 10 0 DEAERO CCOC(=O)[C@H]1CN(C[C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000261827419 145231602 /nfs/dbraw/zinc/23/16/02/145231602.db2.gz IVNRYGSSOZOEKT-PBHICJAKSA-N 1 0 302.418 2.149 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000261856993 145234361 /nfs/dbraw/zinc/23/43/61/145234361.db2.gz WLEIBEGWPGEAIR-DLBZAZTESA-N 1 0 312.417 2.065 10 0 DEAERO CCN(Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1)C(C)=O ZINC000261866071 145235345 /nfs/dbraw/zinc/23/53/45/145235345.db2.gz XKPDDRVIDYSCLU-NVXWUHKLSA-N 1 0 317.433 2.369 10 0 DEAERO CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261864341 145235581 /nfs/dbraw/zinc/23/55/81/145235581.db2.gz KRQIHGCAELIESA-CZUORRHYSA-N 1 0 318.417 2.063 10 0 DEAERO O=C(CCOCc1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261869466 145236209 /nfs/dbraw/zinc/23/62/09/145236209.db2.gz SCPLKEYMMOLUOR-CALCHBBNSA-N 1 0 302.418 2.051 10 0 DEAERO [NH3+]C1(C(=O)Nc2cccc(COCC3CC3)c2)CCOCC1 ZINC000261889288 145237861 /nfs/dbraw/zinc/23/78/61/145237861.db2.gz QGUNDNCGJWVFQT-UHFFFAOYSA-N 1 0 304.390 2.060 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261886292 145237872 /nfs/dbraw/zinc/23/78/72/145237872.db2.gz VDBROJKLYIUWMX-CMPLNLGQSA-N 1 0 310.829 2.121 10 0 DEAERO C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)CC[C@H]1c1ccccc1 ZINC000261900758 145239468 /nfs/dbraw/zinc/23/94/68/145239468.db2.gz RQWRESKDXQFPOG-GDBMZVCRSA-N 1 0 302.418 2.147 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261910863 145241378 /nfs/dbraw/zinc/24/13/78/145241378.db2.gz QEUHSYJGUZOUQU-FRQCXROJSA-N 1 0 316.445 2.486 10 0 DEAERO c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)C2 ZINC000261922050 145241863 /nfs/dbraw/zinc/24/18/63/145241863.db2.gz KLANFZKMQQRZSK-OTWHNJEPSA-N 1 0 300.446 2.148 10 0 DEAERO COc1ccc(C)cc1NC(=O)[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261925041 145242558 /nfs/dbraw/zinc/24/25/58/145242558.db2.gz ZDWYQLVYRFYWNC-BBRMVZONSA-N 1 0 319.449 2.390 10 0 DEAERO Cc1[nH]c2c(cc(C)cc2CNC(=O)C2([NH3+])CCOCC2)c1C ZINC000261936270 145244153 /nfs/dbraw/zinc/24/41/53/145244153.db2.gz WWTCGOANGAIBEY-UHFFFAOYSA-N 1 0 315.417 2.217 10 0 DEAERO O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000261935506 145244309 /nfs/dbraw/zinc/24/43/09/145244309.db2.gz ZKYBWBYWIBGVDP-TZMCWYRMSA-N 1 0 318.421 2.043 10 0 DEAERO CCOC(=O)[C@H]1CN(C[C@]2(C)CC[NH2+]C2)Cc2ccccc21 ZINC000261952011 145246078 /nfs/dbraw/zinc/24/60/78/145246078.db2.gz GCESDWGJIYXYEM-FUHWJXTLSA-N 1 0 302.418 2.149 10 0 DEAERO COc1cc2c(cc1OC)CC[NH+](Cc1cnc(N)s1)CC2 ZINC000261953984 145246331 /nfs/dbraw/zinc/24/63/31/145246331.db2.gz GKQNGKYJRKBTPG-UHFFFAOYSA-N 1 0 319.430 2.343 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1ccc(F)cc1F ZINC000261976934 145248571 /nfs/dbraw/zinc/24/85/71/145248571.db2.gz ZSPXYLMLVOILGJ-QEORTHHSSA-N 1 0 324.371 2.114 10 0 DEAERO O=C(CCC(=O)c1csc2ccccc12)NCC1C[NH2+]C1 ZINC000261998292 145252381 /nfs/dbraw/zinc/25/23/81/145252381.db2.gz ZKRCVJGFXUCALN-UHFFFAOYSA-N 1 0 302.399 2.200 10 0 DEAERO CC(C)c1ncc(Cl)c(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000262028152 145254776 /nfs/dbraw/zinc/25/47/76/145254776.db2.gz PFGFWGDJSPINNJ-LLVKDONJSA-N 1 0 310.829 2.453 10 0 DEAERO COc1ccccc1-n1nccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262044176 145255839 /nfs/dbraw/zinc/25/58/39/145255839.db2.gz YQSFUDAEACRLDH-CABCVRRESA-N 1 0 312.417 2.207 10 0 DEAERO C[C@@]1(C[NH3+])CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000262040632 145256374 /nfs/dbraw/zinc/25/63/74/145256374.db2.gz QEXMYUIAPCYBBR-INIZCTEOSA-N 1 0 302.353 2.027 10 0 DEAERO C[C@H](c1cccs1)N(C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262047270 145256830 /nfs/dbraw/zinc/25/68/30/145256830.db2.gz ZGOWZPXMFJEROJ-BNOWGMLFSA-N 1 0 318.446 2.004 10 0 DEAERO Cc1ccc(-n2ccnc2)c(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000262058146 145257894 /nfs/dbraw/zinc/25/78/94/145257894.db2.gz RLWAUJIRMIOPQC-INIZCTEOSA-N 1 0 312.417 2.380 10 0 DEAERO C[C@H](Oc1ccccc1F)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262067542 145258958 /nfs/dbraw/zinc/25/89/58/145258958.db2.gz WMHLQWVMTQYXPS-ICIURTGMSA-N 1 0 306.381 2.334 10 0 DEAERO CCO[C@@H]1C[C@](N)(c2nc(-c3ccc(C[NH3+])cc3)no2)C1(C)C ZINC000262070032 145259208 /nfs/dbraw/zinc/25/92/08/145259208.db2.gz RYXPVCVNYWXSEK-DYVFJYSZSA-N 1 0 316.405 2.184 10 0 DEAERO C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(C(F)(F)F)cc1 ZINC000262113590 145263279 /nfs/dbraw/zinc/26/32/79/145263279.db2.gz JYIAJEDUIIBZRY-MFKMUULPSA-N 1 0 316.323 2.261 10 0 DEAERO CC(C)Oc1cccc([C@@H](C)NC(=O)C2([NH3+])CCOCC2)c1 ZINC000262121215 145263789 /nfs/dbraw/zinc/26/37/89/145263789.db2.gz KQXSCKQDXPFISN-CYBMUJFWSA-N 1 0 306.406 2.159 10 0 DEAERO Fc1ccc(-n2ccc(CN(C3CC3)[C@H]3CC[NH2+]C3)n2)c(F)c1 ZINC000262124765 145263847 /nfs/dbraw/zinc/26/38/47/145263847.db2.gz MTKIMIMHYZUYHC-HNNXBMFYSA-N 1 0 318.371 2.477 10 0 DEAERO CCCOc1ccc(OCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000262170698 145267455 /nfs/dbraw/zinc/26/74/55/145267455.db2.gz YNWMOLMRVARBAK-MRXNPFEDSA-N 1 0 320.433 2.440 10 0 DEAERO FC(F)(F)COc1cccc(CCNC2=[NH+]CCCN2)c1 ZINC000262317751 145275596 /nfs/dbraw/zinc/27/55/96/145275596.db2.gz BQGHIHBIWLSQPG-UHFFFAOYSA-N 1 0 301.312 2.109 10 0 DEAERO Cc1cc(C)c(NC(=O)CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000262391855 145280767 /nfs/dbraw/zinc/28/07/67/145280767.db2.gz BHNRMHNHQHMCIT-KGLIPLIRSA-N 1 0 321.852 2.437 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(OCc2ccccn2)c1)C1C[NH2+]C1 ZINC000262382829 145280987 /nfs/dbraw/zinc/28/09/87/145280987.db2.gz NCONANDOZCLDPJ-CYBMUJFWSA-N 1 0 311.385 2.455 10 0 DEAERO CC(C)c1ccc(NC(=O)CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000262443409 145284527 /nfs/dbraw/zinc/28/45/27/145284527.db2.gz GZPYJMMUYVIBRD-RDJZCZTQSA-N 1 0 301.434 2.432 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1cccc(Cl)c1 ZINC000262537323 145291246 /nfs/dbraw/zinc/29/12/46/145291246.db2.gz QMLSSGFYHNOWSA-CPUCHLNUSA-N 1 0 322.836 2.489 10 0 DEAERO C[C@@H](C(=O)Nc1ccnn1-c1cccc(Cl)c1)C1C[NH2+]C1 ZINC000262549683 145291897 /nfs/dbraw/zinc/29/18/97/145291897.db2.gz ONOBWTUFQRSVCX-SNVBAGLBSA-N 1 0 304.781 2.320 10 0 DEAERO Cc1ccc(Cc2nnc(NC(=O)[C@H](C)C3C[NH2+]C3)s2)cc1 ZINC000262580313 145295004 /nfs/dbraw/zinc/29/50/04/145295004.db2.gz UKMZZPYLZLSUJN-LLVKDONJSA-N 1 0 316.430 2.231 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000262742337 145302840 /nfs/dbraw/zinc/30/28/40/145302840.db2.gz CSPNVTGIEMENKR-MLGOLLRUSA-N 1 0 304.415 2.116 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000262745939 145302896 /nfs/dbraw/zinc/30/28/96/145302896.db2.gz DTXOVJOIKQDJPG-KCJUWKMLSA-N 1 0 323.245 2.270 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)COc1cc(Cl)ccc1Cl ZINC000262793235 145304804 /nfs/dbraw/zinc/30/48/04/145304804.db2.gz NDYGHOSXIPAUHC-JOYOIKCWSA-N 1 0 317.216 2.486 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000262796136 145305672 /nfs/dbraw/zinc/30/56/72/145305672.db2.gz NKUYLFIJTHEDKT-CJNGLKHVSA-N 1 0 304.434 2.477 10 0 DEAERO CSCc1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263119630 145326936 /nfs/dbraw/zinc/32/69/36/145326936.db2.gz AUAUYQHUXYYFQZ-ZDUSSCGKSA-N 1 0 304.419 2.176 10 0 DEAERO Cc1ccc(O[C@@H](C)c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263135481 145328206 /nfs/dbraw/zinc/32/82/06/145328206.db2.gz CAIOJPHALQYCDP-GXTWGEPZSA-N 1 0 302.378 2.094 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cc(F)c(F)cc2Cl)n1 ZINC000263151999 145330029 /nfs/dbraw/zinc/33/00/29/145330029.db2.gz DDWHKIQZFDPFSY-NSHDSACASA-N 1 0 314.723 2.244 10 0 DEAERO C[C@H](c1nc([C@H]2C[NH2+]CCN2C)no1)c1ccc(F)c(F)c1 ZINC000263175532 145332936 /nfs/dbraw/zinc/33/29/36/145332936.db2.gz GEPCLHSQGWQSFD-TVQRCGJNSA-N 1 0 308.332 2.076 10 0 DEAERO COc1ccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c2ccccc12 ZINC000263188876 145334308 /nfs/dbraw/zinc/33/43/08/145334308.db2.gz HPNFFSQQTAXAJU-OAHLLOKOSA-N 1 0 324.384 2.475 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3cc(C)n[nH]3)C2)C1 ZINC000332743471 145387204 /nfs/dbraw/zinc/38/72/04/145387204.db2.gz PDQBNERLFQUIMV-LSDHHAIUSA-N 1 0 319.453 2.091 10 0 DEAERO Cc1ccc(N2CC[C@H](N3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cc1 ZINC000261741065 292138444 /nfs/dbraw/zinc/13/84/44/292138444.db2.gz KMWMHSWAVTWPEJ-JKSUJKDBSA-N 1 0 301.434 2.160 10 0 DEAERO COC1([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)CCOCC1 ZINC000453058754 292145276 /nfs/dbraw/zinc/14/52/76/292145276.db2.gz LNYGCOPMCSZMNR-LBPRGKRZSA-N 1 0 312.376 2.044 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)c2ccccc2C1 ZINC000346862490 146155125 /nfs/dbraw/zinc/15/51/25/146155125.db2.gz DQASLDOBWXKRBN-CRAIPNDOSA-N 1 0 302.418 2.496 10 0 DEAERO C[C@@H]1CN(Cc2ncc(Br)s2)C[C@H]1[NH+](C)C ZINC000349282330 146365395 /nfs/dbraw/zinc/36/53/95/146365395.db2.gz PUBCEIQSMUZQMX-RKDXNWHRSA-N 1 0 304.257 2.288 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000358662517 147176931 /nfs/dbraw/zinc/17/69/31/147176931.db2.gz MMBUEPPZPZPBRK-OAHLLOKOSA-N 1 0 311.470 2.175 10 0 DEAERO COC(=O)[C@@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000358851777 147219330 /nfs/dbraw/zinc/21/93/30/147219330.db2.gz MWXJABMLUAPWTL-IRXDYDNUSA-N 1 0 302.418 2.192 10 0 DEAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360712967 147372222 /nfs/dbraw/zinc/37/22/22/147372222.db2.gz KUZYVWGBOARAIX-WFASDCNBSA-N 1 0 315.421 2.045 10 0 DEAERO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000249377594 292167832 /nfs/dbraw/zinc/16/78/32/292167832.db2.gz MLACEKLCXCNXDH-HZPDHXFCSA-N 1 0 315.417 2.337 10 0 DEAERO CCOC(=O)c1csc([C@@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)n1 ZINC000261986679 285975354 /nfs/dbraw/zinc/97/53/54/285975354.db2.gz JVWPTIRPKKBTSR-BBRMVZONSA-N 1 0 323.462 2.456 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CCCOC(C)(C)C2)CC1 ZINC000363295602 147642331 /nfs/dbraw/zinc/64/23/31/147642331.db2.gz INQBNPCBANVPSQ-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO c1cn(-c2ccc(C[NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)cc2)cn1 ZINC000371402021 148098767 /nfs/dbraw/zinc/09/87/67/148098767.db2.gz UGXZZDTXMUCFDO-AEFFLSMTSA-N 1 0 313.401 2.300 10 0 DEAERO CC(C)Cn1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cn1 ZINC000374687616 148278870 /nfs/dbraw/zinc/27/88/70/148278870.db2.gz OTTGQLHHFRQSMA-IAGOWNOFSA-N 1 0 321.465 2.196 10 0 DEAERO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374707777 148280525 /nfs/dbraw/zinc/28/05/25/148280525.db2.gz RHPWQBGQGIVZTD-CZUORRHYSA-N 1 0 321.465 2.365 10 0 DEAERO CCOC(=O)CCCC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375446561 148373214 /nfs/dbraw/zinc/37/32/14/148373214.db2.gz XNJLUUIXPHQGQP-ZDUSSCGKSA-N 1 0 307.394 2.470 10 0 DEAERO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2nnc3n2CCCC3)C1 ZINC000408352803 148593382 /nfs/dbraw/zinc/59/33/82/148593382.db2.gz VCODOZUDELWXOO-GUYCJALGSA-N 1 0 306.454 2.281 10 0 DEAERO C[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000111695709 401721670 /nfs/dbraw/zinc/72/16/70/401721670.db2.gz AQGPNIGSNWATHW-LSDHHAIUSA-N 1 0 316.445 2.053 10 0 DEAERO O[C@@H](COC1CCOCC1)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000127158956 401722707 /nfs/dbraw/zinc/72/27/07/401722707.db2.gz IWDOWXPVRWGWHL-GOSISDBHSA-N 1 0 317.429 2.332 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(F)c(F)c1 ZINC000127179046 401723351 /nfs/dbraw/zinc/72/33/51/401723351.db2.gz JVEBYKQWUPZUAS-YPMHNXCESA-N 1 0 315.360 2.172 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCc2occc21 ZINC000111824220 401724675 /nfs/dbraw/zinc/72/46/75/401724675.db2.gz VSNRFQAHQRPFPZ-UKRRQHHQSA-N 1 0 321.421 2.067 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C1CCCCCC1 ZINC000111865196 401726216 /nfs/dbraw/zinc/72/62/16/401726216.db2.gz WKGNKSTUNBFWAS-INIZCTEOSA-N 1 0 311.470 2.461 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C1CCCCCC1 ZINC000111865200 401726518 /nfs/dbraw/zinc/72/65/18/401726518.db2.gz WKGNKSTUNBFWAS-MRXNPFEDSA-N 1 0 311.470 2.461 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000074167321 401731954 /nfs/dbraw/zinc/73/19/54/401731954.db2.gz MGKIAVDARJONTE-XJKSGUPXSA-N 1 0 309.454 2.070 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000074535516 401741413 /nfs/dbraw/zinc/74/14/13/401741413.db2.gz ZLOHUPXCKGKSJT-OAHLLOKOSA-N 1 0 321.469 2.021 10 0 DEAERO COC(=O)CNC(=O)CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000111198375 401700019 /nfs/dbraw/zinc/70/00/19/401700019.db2.gz OKAKCPUWJYQKAG-MRXNPFEDSA-N 1 0 324.808 2.060 10 0 DEAERO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000111265557 401705086 /nfs/dbraw/zinc/70/50/86/401705086.db2.gz PSGOLVGQPLXUKO-LLVKDONJSA-N 1 0 324.808 2.165 10 0 DEAERO COc1ccc([C@H](C[NH3+])S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008037336 401747826 /nfs/dbraw/zinc/74/78/26/401747826.db2.gz LERYYNWIKQFWEV-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000127036910 401717495 /nfs/dbraw/zinc/71/74/95/401717495.db2.gz IAHBEBXQLVOZEZ-GOEBONIOSA-N 1 0 311.470 2.175 10 0 DEAERO CCC(CC)[C@H](O)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000111655258 401719717 /nfs/dbraw/zinc/71/97/17/401719717.db2.gz CENPJOCUQMIVNG-DLBZAZTESA-N 1 0 306.450 2.073 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(c3ncncc3Br)CC[C@@H]21 ZINC000129182518 401800379 /nfs/dbraw/zinc/80/03/79/401800379.db2.gz IYRWQSFSNIODFH-JQWIXIFHSA-N 1 0 311.227 2.160 10 0 DEAERO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494244 401802316 /nfs/dbraw/zinc/80/23/16/401802316.db2.gz BFMKHMWJGUNIIV-PBHICJAKSA-N 1 0 307.438 2.431 10 0 DEAERO Cc1cc(NC(=O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)n(C)n1 ZINC000114493706 401802568 /nfs/dbraw/zinc/80/25/68/401802568.db2.gz BMRLJRAPVUUBNG-QGZVFWFLSA-N 1 0 302.422 2.489 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114589009 401803860 /nfs/dbraw/zinc/80/38/60/401803860.db2.gz QZKAXPNHPMXXPP-SFHVURJKSA-N 1 0 323.481 2.487 10 0 DEAERO FC(F)(F)COCCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000077286580 401808719 /nfs/dbraw/zinc/80/87/19/401808719.db2.gz YDRHPOJDLMWJMP-AWEZNQCLSA-N 1 0 324.387 2.142 10 0 DEAERO CC(C)[C@H](CNC(=O)NCC1(C)COC1)[NH+]1CCCCCC1 ZINC000112742076 401757349 /nfs/dbraw/zinc/75/73/49/401757349.db2.gz ZKEFKFIYQMYJTH-HNNXBMFYSA-N 1 0 311.470 2.223 10 0 DEAERO CCCC1(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CCC1 ZINC000128035142 401760190 /nfs/dbraw/zinc/76/01/90/401760190.db2.gz RZMDHEPDESHUNW-HNNXBMFYSA-N 1 0 311.470 2.367 10 0 DEAERO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)C[C@@H]1CCCO1 ZINC000128234729 401768034 /nfs/dbraw/zinc/76/80/34/401768034.db2.gz NUXDHRYCHPEIOG-PBHICJAKSA-N 1 0 302.418 2.071 10 0 DEAERO Cc1ccc(O[C@H](C)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113226775 401770393 /nfs/dbraw/zinc/77/03/93/401770393.db2.gz NLJUVLKUAFRQHZ-XHSDSOJGSA-N 1 0 302.418 2.457 10 0 DEAERO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000075885849 401772850 /nfs/dbraw/zinc/77/28/50/401772850.db2.gz JOLIPZSOWCGWGQ-MSOLQXFVSA-N 1 0 318.461 2.231 10 0 DEAERO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128366773 401773522 /nfs/dbraw/zinc/77/35/22/401773522.db2.gz MXXHQONLEBCQIR-LLVKDONJSA-N 1 0 307.829 2.359 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1ccc(Cl)cc1 ZINC000113270067 401773843 /nfs/dbraw/zinc/77/38/43/401773843.db2.gz OEAFYZUUFWGOKU-XJKSGUPXSA-N 1 0 321.852 2.125 10 0 DEAERO C[C@](O)(C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccccc1 ZINC000075969095 401775445 /nfs/dbraw/zinc/77/54/45/401775445.db2.gz LKIYJPFWCVXBAF-MOPGFXCFSA-N 1 0 318.461 2.081 10 0 DEAERO C[C@H]1C[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000075977741 401775796 /nfs/dbraw/zinc/77/57/96/401775796.db2.gz OUGSVLQUKUSJBC-BLLLJJGKSA-N 1 0 305.397 2.498 10 0 DEAERO C[C@@H]1C[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000075977739 401775820 /nfs/dbraw/zinc/77/58/20/401775820.db2.gz OUGSVLQUKUSJBC-MLGOLLRUSA-N 1 0 305.397 2.498 10 0 DEAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128421099 401775948 /nfs/dbraw/zinc/77/59/48/401775948.db2.gz OXELYCZDTSZMAT-KYHPRHEASA-N 1 0 308.466 2.403 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C)n2)[C@H](C)C1 ZINC000128531524 401781533 /nfs/dbraw/zinc/78/15/33/401781533.db2.gz YIMOGIFGWIEIOP-CZUORRHYSA-N 1 0 304.438 2.262 10 0 DEAERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCc2ccccc21 ZINC000128538461 401782150 /nfs/dbraw/zinc/78/21/50/401782150.db2.gz SSTXGWQXGGBACK-VQIMIIECSA-N 1 0 314.429 2.203 10 0 DEAERO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC1(C)COC1)c1ccccc1 ZINC000113622445 401783704 /nfs/dbraw/zinc/78/37/04/401783704.db2.gz UTICEPMYWAMUIE-CQSZACIVSA-N 1 0 319.449 2.452 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOCCC(C)C)[C@H](C)C1 ZINC000128740630 401789557 /nfs/dbraw/zinc/78/95/57/401789557.db2.gz LRJCVRUAZUUXEB-CVEARBPZSA-N 1 0 313.486 2.421 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c(C)noc2C)[C@H](C)C1 ZINC000076479050 401795903 /nfs/dbraw/zinc/79/59/03/401795903.db2.gz DCAMRJAVHBWHMR-MLGOLLRUSA-N 1 0 307.438 2.413 10 0 DEAERO O=C(C[C@H]1OCCc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000115045685 401818557 /nfs/dbraw/zinc/81/85/57/401818557.db2.gz GKKFMKYNWUIMOI-SJLPKXTDSA-N 1 0 314.429 2.387 10 0 DEAERO COC(=O)c1cccc(C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000130146230 401819831 /nfs/dbraw/zinc/81/98/31/401819831.db2.gz ZQZAVVUBYSWPSO-UHFFFAOYSA-N 1 0 318.417 2.323 10 0 DEAERO C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000077776220 401830923 /nfs/dbraw/zinc/83/09/23/401830923.db2.gz HRGVZWUHIYLGMY-IRXDYDNUSA-N 1 0 319.449 2.099 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)Cc2ccccc2O)ccc1F ZINC000115716150 401835797 /nfs/dbraw/zinc/83/57/97/401835797.db2.gz HRVPPMWFJYHANP-UHFFFAOYSA-N 1 0 316.376 2.452 10 0 DEAERO CSC[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000116244218 401847255 /nfs/dbraw/zinc/84/72/55/401847255.db2.gz LTEDBPFKPXWTLE-YCPHGPKFSA-N 1 0 321.490 2.407 10 0 DEAERO Cn1cc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C2)cn1 ZINC000116311604 401849513 /nfs/dbraw/zinc/84/95/13/401849513.db2.gz HPAOVMYXBOLZFZ-RHSMWYFYSA-N 1 0 310.401 2.015 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)Cc2ccsc2)C[C@@H]1CC ZINC000116768134 401857879 /nfs/dbraw/zinc/85/78/79/401857879.db2.gz CKHMSUKCLHHDGT-HNNXBMFYSA-N 1 0 310.463 2.250 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc3ccccc32)CCO1 ZINC000116784567 401858653 /nfs/dbraw/zinc/85/86/53/401858653.db2.gz PVCGDRRSOVKEOZ-QGZVFWFLSA-N 1 0 312.413 2.171 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2nc3ccccc3s2)CCO1 ZINC000116928553 401864422 /nfs/dbraw/zinc/86/44/22/401864422.db2.gz OVQOLLWTLXMFMJ-NSHDSACASA-N 1 0 320.418 2.091 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)CCOc2ccccc2)C1 ZINC000132390351 401866336 /nfs/dbraw/zinc/86/63/36/401866336.db2.gz PQTUYMRTJXHCFX-WBVHZDCISA-N 1 0 319.449 2.436 10 0 DEAERO C[C@H](CC[NH2+]Cc1ccc(Br)cn1)[S@](C)=O ZINC000132542225 401869038 /nfs/dbraw/zinc/86/90/38/401869038.db2.gz KPOTUHMHVDEVHJ-JDNHERCYSA-N 1 0 305.241 2.091 10 0 DEAERO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCCC2(C)C)cc1 ZINC000077382736 401813245 /nfs/dbraw/zinc/81/32/45/401813245.db2.gz ZDUILFYAMXSUHV-UHFFFAOYSA-N 1 0 317.433 2.266 10 0 DEAERO COCCC1(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CCCC1 ZINC000119077422 401924536 /nfs/dbraw/zinc/92/45/36/401924536.db2.gz GCFKZDTUNKNDMX-MRXNPFEDSA-N 1 0 321.465 2.239 10 0 DEAERO C[NH+]1CCC(NC(=O)CCC(=O)c2ccc(F)c(F)c2)CC1 ZINC000087005590 401925883 /nfs/dbraw/zinc/92/58/83/401925883.db2.gz LWXVHLSVLNHNHN-UHFFFAOYSA-N 1 0 310.344 2.138 10 0 DEAERO c1csc(Cn2cccc2C[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000119121985 401927170 /nfs/dbraw/zinc/92/71/70/401927170.db2.gz DMULFKLOKHQFQS-CYBMUJFWSA-N 1 0 313.430 2.294 10 0 DEAERO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000135352558 401937338 /nfs/dbraw/zinc/93/73/38/401937338.db2.gz RTZQKDMHUVXJMB-MLGOLLRUSA-N 1 0 307.390 2.002 10 0 DEAERO CC[C@@H]1CN(CCCc2cccc(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000119147608 401928771 /nfs/dbraw/zinc/92/87/71/401928771.db2.gz BNFIAMSOLBZVQA-SJLPKXTDSA-N 1 0 320.477 2.405 10 0 DEAERO CCOCCC1(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000132789164 401873795 /nfs/dbraw/zinc/87/37/95/401873795.db2.gz OYRGVHXXZOQOMU-OAHLLOKOSA-N 1 0 309.454 2.073 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccccc1Cl ZINC000032072822 401875721 /nfs/dbraw/zinc/87/57/21/401875721.db2.gz PEZAAIYTCZAMCT-LLVKDONJSA-N 1 0 304.843 2.349 10 0 DEAERO CC(C)Oc1cccnc1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000079535090 401875924 /nfs/dbraw/zinc/87/59/24/401875924.db2.gz UVHHNMFOTKWVGT-AWEZNQCLSA-N 1 0 305.422 2.331 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000079999323 401886028 /nfs/dbraw/zinc/88/60/28/401886028.db2.gz AYVHUXBUDDASRM-MRXNPFEDSA-N 1 0 319.449 2.468 10 0 DEAERO Cc1noc(C)c1[C@@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000133438776 401886183 /nfs/dbraw/zinc/88/61/83/401886183.db2.gz FWDFCTQFPAUOAN-SWLSCSKDSA-N 1 0 305.422 2.482 10 0 DEAERO Cc1noc(C)c1[C@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000133438953 401886305 /nfs/dbraw/zinc/88/63/05/401886305.db2.gz FWDFCTQFPAUOAN-IUODEOHRSA-N 1 0 305.422 2.482 10 0 DEAERO CCO[C@H](C)c1noc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)n1 ZINC000081097058 401893540 /nfs/dbraw/zinc/89/35/40/401893540.db2.gz HBTCZFACQDWLMQ-MGPQQGTHSA-N 1 0 310.442 2.329 10 0 DEAERO C[C@@H](C(=O)N(C)C)N1CCc2cccc(Br)c2C1 ZINC000118533473 401899898 /nfs/dbraw/zinc/89/98/98/401899898.db2.gz CEUVMVGCKOGARZ-JTQLQIEISA-N 1 0 311.223 2.284 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccncc1 ZINC000035693267 401901004 /nfs/dbraw/zinc/90/10/04/401901004.db2.gz HEJAAJLAEMDYNS-LBPRGKRZSA-N 1 0 301.415 2.379 10 0 DEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@]1(CC)CCC[NH2+]1 ZINC000134522275 401905382 /nfs/dbraw/zinc/90/53/82/401905382.db2.gz CIZMPYYGIWJCRD-WMZOPIPTSA-N 1 0 304.434 2.409 10 0 DEAERO CC[C@]1(C(=O)NC2CCN(c3cccc(C)n3)CC2)CCC[NH2+]1 ZINC000134606615 401908460 /nfs/dbraw/zinc/90/84/60/401908460.db2.gz IBPINTREOXOZFX-GOSISDBHSA-N 1 0 316.449 2.007 10 0 DEAERO Cc1cc([C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CCO2)ccc1F ZINC000134826741 401916473 /nfs/dbraw/zinc/91/64/73/401916473.db2.gz UXPNLFIPVZSPHS-MRXNPFEDSA-N 1 0 308.397 2.374 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917532 401918414 /nfs/dbraw/zinc/91/84/14/401918414.db2.gz FVDCYGFUAKRMQT-ZBFHGGJFSA-N 1 0 308.447 2.148 10 0 DEAERO COc1cc([C@@H](C)[NH2+]CCc2nc(C)no2)cc(OC)c1OC ZINC000089518811 401950872 /nfs/dbraw/zinc/95/08/72/401950872.db2.gz JHQMAZLLLXHFQN-SNVBAGLBSA-N 1 0 321.377 2.297 10 0 DEAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000089635428 401954694 /nfs/dbraw/zinc/95/46/94/401954694.db2.gz SREZUHDBXCRVRV-GHMZBOCLSA-N 1 0 303.399 2.308 10 0 DEAERO C[C@@H](O)CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000136064563 401959669 /nfs/dbraw/zinc/95/96/69/401959669.db2.gz HRNKPWHQAAPEQE-HZPDHXFCSA-N 1 0 318.461 2.217 10 0 DEAERO CC(C)(O)CNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119613766 401962134 /nfs/dbraw/zinc/96/21/34/401962134.db2.gz CJZXLEQGWGCBOJ-GOSISDBHSA-N 1 0 319.449 2.111 10 0 DEAERO CCc1cc(=O)[nH]c(CN(C)CCc2ccccc2OC)n1 ZINC000119962255 401972488 /nfs/dbraw/zinc/97/24/88/401972488.db2.gz UYOSTUQORJUOMC-UHFFFAOYSA-N 1 0 301.390 2.428 10 0 DEAERO CCC(CC)(C[NH2+]CC(=O)Nc1ccccc1OC)C(=O)OC ZINC000120690497 401998433 /nfs/dbraw/zinc/99/84/33/401998433.db2.gz VMBJIQZTJVKIDB-UHFFFAOYSA-N 1 0 322.405 2.203 10 0 DEAERO Cc1noc(C)c1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000138351952 401987115 /nfs/dbraw/zinc/98/71/15/401987115.db2.gz IBOBEXBAJVRZAK-UHFFFAOYSA-N 1 0 308.426 2.211 10 0 DEAERO CN1C(=O)C[C@H]([NH2+]C2CCN(C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000090968670 401990028 /nfs/dbraw/zinc/99/00/28/401990028.db2.gz KGRNWMGBGKSKPD-DOTOQJQBSA-N 1 0 321.852 2.296 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(Br)cc1 ZINC000049096275 402012407 /nfs/dbraw/zinc/01/24/07/402012407.db2.gz SBMGHFVTVXNINK-ZDUSSCGKSA-N 1 0 311.223 2.202 10 0 DEAERO C[C@@H]([NH2+]CCc1ccsc1)c1ccc(S(N)(=O)=O)cc1 ZINC000049153412 402013142 /nfs/dbraw/zinc/01/31/42/402013142.db2.gz GNCSUULHCHQKNK-LLVKDONJSA-N 1 0 310.444 2.289 10 0 DEAERO Cc1cnc(CCN(C)C(=O)NC[C@H](C)C[NH+]2CCCC2)s1 ZINC000121230816 402021626 /nfs/dbraw/zinc/02/16/26/402021626.db2.gz ACIZXDNKNGWCAO-ZDUSSCGKSA-N 1 0 324.494 2.367 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000093994643 402022130 /nfs/dbraw/zinc/02/21/30/402022130.db2.gz SOYYJLILDMNPQR-CHWSQXEVSA-N 1 0 318.417 2.318 10 0 DEAERO CC[NH2+][C@@H](CCO)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095091388 402026020 /nfs/dbraw/zinc/02/60/20/402026020.db2.gz BAILZXAZBHRSGC-SJORKVTESA-N 1 0 320.433 2.396 10 0 DEAERO COc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000151255815 402026285 /nfs/dbraw/zinc/02/62/85/402026285.db2.gz WFFXYGMDUUHWFR-KBPBESRZSA-N 1 0 310.413 2.332 10 0 DEAERO COc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000151255952 402026380 /nfs/dbraw/zinc/02/63/80/402026380.db2.gz WFFXYGMDUUHWFR-UONOGXRCSA-N 1 0 310.413 2.332 10 0 DEAERO COc1ccc2c(c1)[C@H](NC[C@H](O)C[NH+]1CCCCC1)CC2 ZINC000151273331 402026932 /nfs/dbraw/zinc/02/69/32/402026932.db2.gz LSWRRADQHHKCFR-MAUKXSAKSA-N 1 0 304.434 2.119 10 0 DEAERO COc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000151272834 402026984 /nfs/dbraw/zinc/02/69/84/402026984.db2.gz AZAIPVBRJRFXKG-UKRRQHHQSA-N 1 0 310.413 2.332 10 0 DEAERO O[C@@H](CN[C@H]1CCCOc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151265735 402027008 /nfs/dbraw/zinc/02/70/08/402027008.db2.gz OXIRZMHPOXTCHU-RDJZCZTQSA-N 1 0 322.424 2.476 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NCc1cscn1 ZINC000050683327 402029402 /nfs/dbraw/zinc/02/94/02/402029402.db2.gz LHZDZZFAKYSTSK-UHFFFAOYSA-N 1 0 305.403 2.014 10 0 DEAERO COc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)c(OC)c1 ZINC000151324392 402029558 /nfs/dbraw/zinc/02/95/58/402029558.db2.gz DAERQODRIWURSF-CABCVRRESA-N 1 0 322.449 2.201 10 0 DEAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2cscn2)C1 ZINC000051750843 402036094 /nfs/dbraw/zinc/03/60/94/402036094.db2.gz JUYKVEQXPCKQNG-CYBMUJFWSA-N 1 0 310.467 2.454 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(C(=O)OC)c(F)c2)C1 ZINC000121449146 402036782 /nfs/dbraw/zinc/03/67/82/402036782.db2.gz GGYTVLKXIHILKB-LBPRGKRZSA-N 1 0 323.368 2.218 10 0 DEAERO C[C@@H](C(=O)N1CCCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000051952314 402038101 /nfs/dbraw/zinc/03/81/01/402038101.db2.gz DMVDJRMSWDXUPL-INIZCTEOSA-N 1 0 307.482 2.338 10 0 DEAERO COCCC1(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCC1 ZINC000120821510 402003511 /nfs/dbraw/zinc/00/35/11/402003511.db2.gz NQFXTUHEBRICHY-GJZGRUSLSA-N 1 0 311.470 2.221 10 0 DEAERO CC(C)C[C@H](CCO)CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000120861596 402004428 /nfs/dbraw/zinc/00/44/28/402004428.db2.gz 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ZINC000097093734 402106466 /nfs/dbraw/zinc/10/64/66/402106466.db2.gz CADQLBAWBKTYGF-RKDXNWHRSA-N 1 0 303.284 2.089 10 0 DEAERO Cc1ccc(C)c(OCC(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061605819 402108190 /nfs/dbraw/zinc/10/81/90/402108190.db2.gz UDVDQQORDDJBGC-UHFFFAOYSA-N 1 0 302.418 2.379 10 0 DEAERO C[C@H]1C[C@@H](N(C)CC(=O)N(C)CC2CCCCC2)CC[N@@H+]1C ZINC000123113493 402111325 /nfs/dbraw/zinc/11/13/25/402111325.db2.gz XJQVZYAQPIQZCP-RDJZCZTQSA-N 1 0 309.498 2.440 10 0 DEAERO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)N2CCc3ccccc32)CCN1C ZINC000123211287 402115720 /nfs/dbraw/zinc/11/57/20/402115720.db2.gz LTLAFSBOPROUNZ-RDJZCZTQSA-N 1 0 315.461 2.380 10 0 DEAERO C[C@@H](C1CC1)N(C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000123249143 402118333 /nfs/dbraw/zinc/11/83/33/402118333.db2.gz GBMWHAAOILMOKO-JKIFEVAISA-N 1 0 307.482 2.190 10 0 DEAERO C[C@@H](CNC(=O)N1CCC[C@H]1C1CCCCC1)N1CCOCC1 ZINC000122105023 402061781 /nfs/dbraw/zinc/06/17/81/402061781.db2.gz GHZHBXFWOTYDNJ-RDJZCZTQSA-N 1 0 323.481 2.461 10 0 DEAERO CCN(CC)C(=O)CCC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000122127476 402063064 /nfs/dbraw/zinc/06/30/64/402063064.db2.gz OXCJJURAKFMHAI-CYBMUJFWSA-N 1 0 324.387 2.270 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000122135627 402063145 /nfs/dbraw/zinc/06/31/45/402063145.db2.gz OQGLGVXXCPGYIN-HIFRSBDPSA-N 1 0 318.417 2.147 10 0 DEAERO COC(=O)c1cc(CN2CCC([NH+]3CCCC3)CC2)oc1C ZINC000097474402 402125450 /nfs/dbraw/zinc/12/54/50/402125450.db2.gz YVNSSUFHLVAZEQ-UHFFFAOYSA-N 1 0 306.406 2.435 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccccc1N1CCOCC1 ZINC000123436633 402128288 /nfs/dbraw/zinc/12/82/88/402128288.db2.gz ZQCNQBGTIZFQLQ-GOSISDBHSA-N 1 0 317.477 2.439 10 0 DEAERO CCc1noc2ncc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc12 ZINC000123524074 402132613 /nfs/dbraw/zinc/13/26/13/402132613.db2.gz LLWNWRPQFYWKIG-YPMHNXCESA-N 1 0 316.405 2.340 10 0 DEAERO COc1ccccc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066535391 402136213 /nfs/dbraw/zinc/13/62/13/402136213.db2.gz RFIKXJWEWCSCGI-OAHLLOKOSA-N 1 0 317.433 2.194 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2cccs2)CC1 ZINC000123588987 402136572 /nfs/dbraw/zinc/13/65/72/402136572.db2.gz RAEUXEDUNMGXJF-CQSZACIVSA-N 1 0 324.494 2.310 10 0 DEAERO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CCC2OCCO2)C1 ZINC000123663733 402140250 /nfs/dbraw/zinc/14/02/50/402140250.db2.gz QMRPQKIBROOSQG-CQSZACIVSA-N 1 0 304.390 2.100 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)NCCC2=CCCCC2)CC[N@@H+]1C ZINC000123339162 402122652 /nfs/dbraw/zinc/12/26/52/402122652.db2.gz WKEDNVSNIGFAAN-WBVHZDCISA-N 1 0 307.482 2.408 10 0 DEAERO COc1cccc(NC(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000153045080 402123739 /nfs/dbraw/zinc/12/37/39/402123739.db2.gz RFBJUMDEWWRFGH-CZUORRHYSA-N 1 0 304.390 2.135 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000153500121 402149377 /nfs/dbraw/zinc/14/93/77/402149377.db2.gz DBTIUKBHEBNQOS-RUXDESIVSA-N 1 0 304.438 2.066 10 0 DEAERO COc1cccc(Cl)c1CC(=O)N1CCC([NH+](C)C)CC1 ZINC000153500287 402149447 /nfs/dbraw/zinc/14/94/47/402149447.db2.gz FQUZSNIQGZEFBB-UHFFFAOYSA-N 1 0 310.825 2.444 10 0 DEAERO Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123820923 402148380 /nfs/dbraw/zinc/14/83/80/402148380.db2.gz JYFPMZPCCGXBHU-BRWVUGGUSA-N 1 0 306.450 2.149 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000123894318 402153218 /nfs/dbraw/zinc/15/32/18/402153218.db2.gz QMHHBXKYQQGFSJ-WMZOPIPTSA-N 1 0 313.449 2.087 10 0 DEAERO C[C@H]1C[C@@H](N(C)CC(=O)NCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000123970092 402156918 /nfs/dbraw/zinc/15/69/18/402156918.db2.gz XICZGEKMXVHDAB-BBRMVZONSA-N 1 0 323.868 2.371 10 0 DEAERO CC[C@H](O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000123918075 402154142 /nfs/dbraw/zinc/15/41/42/402154142.db2.gz LMSOYGCNVIDWJO-INIZCTEOSA-N 1 0 302.418 2.059 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)COC)CC1 ZINC000103360559 402185844 /nfs/dbraw/zinc/18/58/44/402185844.db2.gz ZKFHXHZHXLMSOX-AWEZNQCLSA-N 1 0 305.422 2.050 10 0 DEAERO Cn1nnc2cc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)ccc21 ZINC000103739210 402193836 /nfs/dbraw/zinc/19/38/36/402193836.db2.gz URBDWXAOEUVDOQ-INIZCTEOSA-N 1 0 323.400 2.001 10 0 DEAERO Cc1cnn(CCCCC[NH+]2CCC(n3cncn3)CC2)c1 ZINC000104101280 402197846 /nfs/dbraw/zinc/19/78/46/402197846.db2.gz AMHKCNTYMYKTON-UHFFFAOYSA-N 1 0 302.426 2.290 10 0 DEAERO CC(C)c1noc(CCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000124121267 402164936 /nfs/dbraw/zinc/16/49/36/402164936.db2.gz PWAPHBOYEHDIJE-STQMWFEESA-N 1 0 308.426 2.067 10 0 DEAERO Cc1ncc(CN2CCN(CC[NH+]3CCC(C)CC3)CC2)s1 ZINC000153795676 402171161 /nfs/dbraw/zinc/17/11/61/402171161.db2.gz KXXOJXRZDVNAJG-UHFFFAOYSA-N 1 0 322.522 2.301 10 0 DEAERO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)CC3=CCCCC3)C2)cn1 ZINC000067878607 402177288 /nfs/dbraw/zinc/17/72/88/402177288.db2.gz AVEPDXHOWCATRW-MRXNPFEDSA-N 1 0 316.449 2.249 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 ZINC000106917046 402222519 /nfs/dbraw/zinc/22/25/19/402222519.db2.gz NXIRWUXBSZAYMP-KRWDZBQOSA-N 1 0 322.412 2.352 10 0 DEAERO CCC[C@H](C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)[NH+](C)C ZINC000155631925 402263809 /nfs/dbraw/zinc/26/38/09/402263809.db2.gz MVKGTKKKGHSFCX-LSDHHAIUSA-N 1 0 306.454 2.431 10 0 DEAERO Cc1ccc(F)c(OCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000126085195 402263910 /nfs/dbraw/zinc/26/39/10/402263910.db2.gz ARFIYMCVJARJBM-ZFWWWQNUSA-N 1 0 308.397 2.358 10 0 DEAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000070739937 402264163 /nfs/dbraw/zinc/26/41/63/402264163.db2.gz JHFIBZLDWSJGEK-STQMWFEESA-N 1 0 306.406 2.269 10 0 DEAERO COc1cccc2c1CC[C@@H]2NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000154794627 402232067 /nfs/dbraw/zinc/23/20/67/402232067.db2.gz NRQRLUQWBOVESR-WFASDCNBSA-N 1 0 303.406 2.028 10 0 DEAERO NC(=O)c1cccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107697517 402238398 /nfs/dbraw/zinc/23/83/98/402238398.db2.gz NPUNMNLPBVIGKQ-KRWDZBQOSA-N 1 0 301.434 2.236 10 0 DEAERO CNC(=O)CCC[N@H+](C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000154982199 402240952 /nfs/dbraw/zinc/24/09/52/402240952.db2.gz YXFVMZSTSQSHEY-LBPRGKRZSA-N 1 0 302.378 2.256 10 0 DEAERO COc1cc(Cl)ccc1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000107858175 402242178 /nfs/dbraw/zinc/24/21/78/402242178.db2.gz VIKNAWXMVQLGRW-CYBMUJFWSA-N 1 0 311.813 2.194 10 0 DEAERO CCCCOCCCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000125705624 402245792 /nfs/dbraw/zinc/24/57/92/402245792.db2.gz VOMZMDQTLLHELU-UHFFFAOYSA-N 1 0 311.470 2.463 10 0 DEAERO OCC[C@@]1(C[NH2+][C@H]2CSCCc3ccccc32)CCOC1 ZINC000125742388 402248172 /nfs/dbraw/zinc/24/81/72/402248172.db2.gz GYKYPOTVDOQDGH-IRXDYDNUSA-N 1 0 307.459 2.396 10 0 DEAERO CCC[C@H](CC)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000108567073 402256973 /nfs/dbraw/zinc/25/69/73/402256973.db2.gz PBLLKDAZEMMXEI-IRXDYDNUSA-N 1 0 324.513 2.377 10 0 DEAERO Ic1cnn(CC[C@@H]2CCCC[NH2+]2)c1 ZINC000070677715 402262777 /nfs/dbraw/zinc/26/27/77/402262777.db2.gz HCIFSKOQXHIATK-JTQLQIEISA-N 1 0 305.163 2.020 10 0 DEAERO COc1ccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000125082840 402212048 /nfs/dbraw/zinc/21/20/48/402212048.db2.gz LNLFYLVIMBYTCO-GFCCVEGCSA-N 1 0 311.813 2.194 10 0 DEAERO Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000071797248 402279108 /nfs/dbraw/zinc/27/91/08/402279108.db2.gz BFFORYKVJMKNPV-FUHWJXTLSA-N 1 0 315.417 2.305 10 0 DEAERO C[C@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000176108988 402280251 /nfs/dbraw/zinc/28/02/51/402280251.db2.gz XJPSVPXWHVDQDD-INIZCTEOSA-N 1 0 322.497 2.131 10 0 DEAERO C[C@H]1C[N@H+](CCC(Cl)(Cl)Cl)C[C@@H]1N1CCOCC1 ZINC000184608738 402283927 /nfs/dbraw/zinc/28/39/27/402283927.db2.gz ICKPPAZHWGFPCC-QWRGUYRKSA-N 1 0 315.672 2.399 10 0 DEAERO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)CC3 ZINC000156658100 402286373 /nfs/dbraw/zinc/28/63/73/402286373.db2.gz PIJNCAVUDVVDNY-LSDHHAIUSA-N 1 0 313.445 2.254 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NOCc1ccc(F)cc1 ZINC000184656520 402288765 /nfs/dbraw/zinc/28/87/65/402288765.db2.gz FOTPYTUEYZIAEB-OAHLLOKOSA-N 1 0 309.385 2.383 10 0 DEAERO CC(C)C[C@@H](C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000184717156 402294309 /nfs/dbraw/zinc/29/43/09/402294309.db2.gz QKVQYDZYPFUMPQ-OAHLLOKOSA-N 1 0 309.498 2.343 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)OCc2ccccc2)C1 ZINC000184762569 402298264 /nfs/dbraw/zinc/29/82/64/402298264.db2.gz GBBBQYJWDPRGHV-VYDXJSESSA-N 1 0 304.434 2.437 10 0 DEAERO CCn1c(C[NH2+][C@H]2CCCC[C@H]2C(N)=O)nc2cc(F)ccc21 ZINC000184822283 402301869 /nfs/dbraw/zinc/30/18/69/402301869.db2.gz GDIUXGQWWQALBV-OLZOCXBDSA-N 1 0 318.396 2.329 10 0 DEAERO CN(CC[NH+](C)C)C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000176383128 402304744 /nfs/dbraw/zinc/30/47/44/402304744.db2.gz WTDXFBBFGIUIAC-UHFFFAOYSA-N 1 0 305.353 2.043 10 0 DEAERO CC(C)[C@](C)(O)C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000184940100 402311308 /nfs/dbraw/zinc/31/13/08/402311308.db2.gz GERYCXRNALHNLC-GOSISDBHSA-N 1 0 317.433 2.374 10 0 DEAERO Cn1cc(-c2cc(C[NH2+][C@@](C)(CO)C3CCCCC3)on2)cn1 ZINC000185008970 402316827 /nfs/dbraw/zinc/31/68/27/402316827.db2.gz GVMNRCCKXVGVBC-KRWDZBQOSA-N 1 0 318.421 2.496 10 0 DEAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000185053343 402320651 /nfs/dbraw/zinc/32/06/51/402320651.db2.gz PKSWVFUAMBZPJR-IRXDYDNUSA-N 1 0 301.434 2.454 10 0 DEAERO C[NH+](C)C[C@@](C)(O)CNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000228735968 402340140 /nfs/dbraw/zinc/34/01/40/402340140.db2.gz GIZHCAXNNFBOIA-ZDUSSCGKSA-N 1 0 320.220 2.428 10 0 DEAERO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000185282137 402341143 /nfs/dbraw/zinc/34/11/43/402341143.db2.gz MVWLCQJAZYGAMS-CYBMUJFWSA-N 1 0 316.380 2.303 10 0 DEAERO CCOc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC2)cc1F ZINC000185358426 402346339 /nfs/dbraw/zinc/34/63/39/402346339.db2.gz ODEWHJTVADWUCQ-UHFFFAOYSA-N 1 0 323.412 2.460 10 0 DEAERO CC(C)c1nnc(CCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000176896305 402347599 /nfs/dbraw/zinc/34/75/99/402347599.db2.gz BPMUZGRXCZJGEH-OLZOCXBDSA-N 1 0 308.426 2.067 10 0 DEAERO Cc1nn(C)cc1C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230166885 402348764 /nfs/dbraw/zinc/34/87/64/402348764.db2.gz AHKJMTFQWGLXHH-ZDUSSCGKSA-N 1 0 308.426 2.075 10 0 DEAERO CCCC[C@H](C[NH3+])NC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000236896216 402387269 /nfs/dbraw/zinc/38/72/69/402387269.db2.gz ZDHOUUDGASWNNB-OAHLLOKOSA-N 1 0 308.470 2.332 10 0 DEAERO CC[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Oc1ccccc1C ZINC000176912131 402349314 /nfs/dbraw/zinc/34/93/14/402349314.db2.gz BOIVJPTZFVGHIJ-JKSUJKDBSA-N 1 0 319.449 2.498 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CNC(=O)CCC1CCCC1 ZINC000176971119 402355244 /nfs/dbraw/zinc/35/52/44/402355244.db2.gz CQJPZYAOLJAXSI-MRXNPFEDSA-N 1 0 323.481 2.016 10 0 DEAERO COc1ccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)cn1 ZINC000232146959 402356729 /nfs/dbraw/zinc/35/67/29/402356729.db2.gz FTTKLOXTUMQFQO-UHFFFAOYSA-N 1 0 309.410 2.483 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(OC)cc(OC)c1 ZINC000176995963 402357639 /nfs/dbraw/zinc/35/76/39/402357639.db2.gz APZPQKQMFHMIEJ-AWEZNQCLSA-N 1 0 306.406 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)N(C)C ZINC000177001230 402358309 /nfs/dbraw/zinc/35/83/09/402358309.db2.gz FYYBZYIOKPSCNK-IAGOWNOFSA-N 1 0 303.450 2.232 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnc(C)nc1C(C)C ZINC000177014757 402359372 /nfs/dbraw/zinc/35/93/72/402359372.db2.gz LBILGXSXYDXUEI-CQSZACIVSA-N 1 0 304.438 2.465 10 0 DEAERO CCOc1ccc(OCC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000177017241 402359582 /nfs/dbraw/zinc/35/95/82/402359582.db2.gz MZHHGEPZSVCGJT-HNNXBMFYSA-N 1 0 320.433 2.407 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(OC)c1 ZINC000177024506 402360089 /nfs/dbraw/zinc/36/00/89/402360089.db2.gz LWOOMRUFKRMKQD-OAHLLOKOSA-N 1 0 305.422 2.321 10 0 DEAERO COC[C@@H](C)OC[C@H](O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000234824150 402361707 /nfs/dbraw/zinc/36/17/07/402361707.db2.gz GPJKYYCXCRTLCX-IUODEOHRSA-N 1 0 301.814 2.184 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000185623093 402365569 /nfs/dbraw/zinc/36/55/69/402365569.db2.gz SPNXXWIWSJFFEF-UONOGXRCSA-N 1 0 301.475 2.011 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc3nccn32)C12CCOCC2 ZINC000185670497 402368017 /nfs/dbraw/zinc/36/80/17/402368017.db2.gz CSLFGWRXXMDSSV-HZPDHXFCSA-N 1 0 315.417 2.398 10 0 DEAERO Cc1ccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c(C)n1 ZINC000177101037 402370119 /nfs/dbraw/zinc/37/01/19/402370119.db2.gz ZSMIMNCHHJWZLP-UHFFFAOYSA-N 1 0 319.449 2.271 10 0 DEAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccccn2)ncn1 ZINC000177125817 402372536 /nfs/dbraw/zinc/37/25/36/402372536.db2.gz ZFUIQSGNJRGQSW-UONOGXRCSA-N 1 0 312.421 2.233 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc2c1OCCO2 ZINC000177143693 402375042 /nfs/dbraw/zinc/37/50/42/402375042.db2.gz NGZYDFHTSUAMKT-QWHCGFSZSA-N 1 0 317.389 2.158 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000236700716 402376004 /nfs/dbraw/zinc/37/60/04/402376004.db2.gz FSGFXKHENUIRSA-CQSZACIVSA-N 1 0 319.449 2.155 10 0 DEAERO Cc1cccc(OCC[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177247597 402385150 /nfs/dbraw/zinc/38/51/50/402385150.db2.gz ZKEPVJSFSYUJHR-FUHWJXTLSA-N 1 0 304.434 2.026 10 0 DEAERO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000177263525 402386277 /nfs/dbraw/zinc/38/62/77/402386277.db2.gz UYLYWNJUQYJLOX-COXVUDFISA-N 1 0 324.852 2.026 10 0 DEAERO Fc1ccc(-c2cnc(CN3CCO[C@@]4(CCOC4)C3)o2)cc1 ZINC000185174361 402330734 /nfs/dbraw/zinc/33/07/34/402330734.db2.gz YCXUYADQJUHVDF-KRWDZBQOSA-N 1 0 318.348 2.472 10 0 DEAERO CS(=O)(=O)CCCCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000185212639 402334959 /nfs/dbraw/zinc/33/49/59/402334959.db2.gz JFGJVQPOCJOSFI-UHFFFAOYSA-N 1 0 321.446 2.381 10 0 DEAERO CCC[C@H](C(=O)NCCCN(C)c1ccccc1F)[NH+](C)C ZINC000161701629 402396435 /nfs/dbraw/zinc/39/64/35/402396435.db2.gz KMEKRSIQCIVXBB-MRXNPFEDSA-N 1 0 309.429 2.499 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cnn(Cc3ccccc3)c2C)CC1 ZINC000237157403 402397363 /nfs/dbraw/zinc/39/73/63/402397363.db2.gz MRUIEBNHIMTUDS-UHFFFAOYSA-N 1 0 312.417 2.064 10 0 DEAERO CC[C@@](C)(O)C[NH+]1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000161764492 402398096 /nfs/dbraw/zinc/39/80/96/402398096.db2.gz ADEXNEOGVBDQGZ-QGZVFWFLSA-N 1 0 305.422 2.306 10 0 DEAERO CN(C(=O)COc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237209158 402399199 /nfs/dbraw/zinc/39/91/99/402399199.db2.gz UMTBJVPEXWQTPQ-FUNVUKJBSA-N 1 0 310.344 2.085 10 0 DEAERO COC(=O)c1ccccc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000161846109 402401252 /nfs/dbraw/zinc/40/12/52/402401252.db2.gz DZYJTDSYHJELQC-ZDUSSCGKSA-N 1 0 319.405 2.279 10 0 DEAERO Cc1ccc(F)cc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000177448998 402403271 /nfs/dbraw/zinc/40/32/71/402403271.db2.gz GDCNHYYTHAAKSP-AWEZNQCLSA-N 1 0 322.424 2.299 10 0 DEAERO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000177473521 402406762 /nfs/dbraw/zinc/40/67/62/402406762.db2.gz OMYLEVODDVPQEC-PMUMKWKESA-N 1 0 318.417 2.137 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cccnc2N(C)C)C12CCOCC2 ZINC000186243561 402414408 /nfs/dbraw/zinc/41/44/08/402414408.db2.gz WIWGPYSHBLECBH-CVEARBPZSA-N 1 0 319.449 2.211 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nccn2C(F)F)C12CCOCC2 ZINC000186290401 402418357 /nfs/dbraw/zinc/41/83/57/402418357.db2.gz VLIVSPYFAADQHN-NWDGAFQWSA-N 1 0 315.364 2.342 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccccc2)C12CCOCC2 ZINC000186338402 402422719 /nfs/dbraw/zinc/42/27/19/402422719.db2.gz HZSOWZLHLJJIPB-KURKYZTESA-N 1 0 319.445 2.458 10 0 DEAERO CN(C)c1ccncc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000186393705 402428106 /nfs/dbraw/zinc/42/81/06/402428106.db2.gz WTYADPVDWGYKDG-UHFFFAOYSA-N 1 0 304.438 2.144 10 0 DEAERO Cn1c(CN2CC[N@@H+]3CCCC[C@@H]3C2)nnc1-c1ccccc1 ZINC000177768968 402433883 /nfs/dbraw/zinc/43/38/83/402433883.db2.gz UCQCSCOCPPHMGR-MRXNPFEDSA-N 1 0 311.433 2.152 10 0 DEAERO Cc1ccc(C)c(OC[C@H](O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177775728 402435379 /nfs/dbraw/zinc/43/53/79/402435379.db2.gz KYNUXFBYWDGHBB-QZTJIDSGSA-N 1 0 318.461 2.213 10 0 DEAERO O=C(c1cc2ccccc2oc1=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186507341 402437608 /nfs/dbraw/zinc/43/76/08/402437608.db2.gz BWVXEHMWAQHGJA-ZDUSSCGKSA-N 1 0 312.369 2.150 10 0 DEAERO O=C(Cc1ccc(-n2cccn2)cc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186511199 402437715 /nfs/dbraw/zinc/43/77/15/402437715.db2.gz BLHCVRGJUGURGO-MRXNPFEDSA-N 1 0 324.428 2.158 10 0 DEAERO O=C(C1CC[NH2+]CC1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000238104352 402438093 /nfs/dbraw/zinc/43/80/93/402438093.db2.gz GJJKZMABCXMWFT-AWEZNQCLSA-N 1 0 302.374 2.078 10 0 DEAERO O=C(/C=C/c1ccc2c(c1)CCO2)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186522376 402438387 /nfs/dbraw/zinc/43/83/87/402438387.db2.gz PHXXLQJKKUTNBR-YCOJEUHLSA-N 1 0 312.413 2.378 10 0 DEAERO O=C(CSC[C@H]1CCCCO1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186525351 402439227 /nfs/dbraw/zinc/43/92/27/402439227.db2.gz AAMAMRUSNRAFHB-DZGCQCFKSA-N 1 0 312.479 2.032 10 0 DEAERO Cc1cc(C)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)[nH]1 ZINC000177925571 402444678 /nfs/dbraw/zinc/44/46/78/402444678.db2.gz NTBTXCMIUDCUDC-UHFFFAOYSA-N 1 0 313.405 2.031 10 0 DEAERO CNC(=O)Nc1cccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000177958258 402447419 /nfs/dbraw/zinc/44/74/19/402447419.db2.gz MMLAAPFWUQIEEP-INIZCTEOSA-N 1 0 324.384 2.091 10 0 DEAERO Cn1nccc1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177353021 402393948 /nfs/dbraw/zinc/39/39/48/402393948.db2.gz MEWJNFUOKQEDDK-UHFFFAOYSA-N 1 0 319.453 2.016 10 0 DEAERO COC[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)C1CCOCC1 ZINC000187750993 402510671 /nfs/dbraw/zinc/51/06/71/402510671.db2.gz YMOWTBORQUYHDP-QGZVFWFLSA-N 1 0 319.449 2.213 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000246118334 402511745 /nfs/dbraw/zinc/51/17/45/402511745.db2.gz IVRKDWWRAJKVIN-SMDDNHRTSA-N 1 0 316.854 2.347 10 0 DEAERO C[C@H]1CC[C@H](C(=O)NC2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000178057436 402456027 /nfs/dbraw/zinc/45/60/27/402456027.db2.gz KJEKYBNQJRIDLR-MAUKXSAKSA-N 1 0 316.445 2.377 10 0 DEAERO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178052794 402456172 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CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)onc2-c2ccccn2)C1 ZINC000178106320 402460963 /nfs/dbraw/zinc/46/09/63/402460963.db2.gz KBJOZGJZJHOGNN-CYBMUJFWSA-N 1 0 314.389 2.259 10 0 DEAERO CCN(C(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000245447891 402461358 /nfs/dbraw/zinc/46/13/58/402461358.db2.gz MLQDKDWIIRHWCG-RDJZCZTQSA-N 1 0 303.450 2.454 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000245471402 402463952 /nfs/dbraw/zinc/46/39/52/402463952.db2.gz NWXQRYMEDAPJFF-OCCSQVGLSA-N 1 0 324.856 2.478 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000186794462 402464985 /nfs/dbraw/zinc/46/49/85/402464985.db2.gz XFRHVRQSXUUJDO-IAQYHMDHSA-N 1 0 318.808 2.254 10 0 DEAERO CCc1cnc(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)s1 ZINC000245484591 402465443 /nfs/dbraw/zinc/46/54/43/402465443.db2.gz HRUPWKMRBBUAEW-OLZOCXBDSA-N 1 0 322.478 2.474 10 0 DEAERO C[C@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1N1CCOCC1 ZINC000245532373 402468731 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Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000182476569 402693557 /nfs/dbraw/zinc/69/35/57/402693557.db2.gz WMJCLXMPBGSVAM-SLYWTYHBSA-N 1 0 304.438 2.262 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+]C3CCC(C)CC3)C2=O)n(C)n1 ZINC000182484277 402694048 /nfs/dbraw/zinc/69/40/48/402694048.db2.gz FPDAJXQEBIFVIJ-ZALBZXLWSA-N 1 0 304.438 2.392 10 0 DEAERO O=C([C@H]1SCCc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173402910 402695963 /nfs/dbraw/zinc/69/59/63/402695963.db2.gz XWWCJCQHJKKSLF-ZBFHGGJFSA-N 1 0 302.443 2.324 10 0 DEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CCCN2CCOCC2)C12CCCC2 ZINC000173522833 402701505 /nfs/dbraw/zinc/70/15/05/402701505.db2.gz VRIYRFPNGUYJEV-IAGOWNOFSA-N 1 0 310.482 2.378 10 0 DEAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)NCc1ccccc1F ZINC000182920588 402727418 /nfs/dbraw/zinc/72/74/18/402727418.db2.gz XPLUNDLUSIZOKS-DYVFJYSZSA-N 1 0 316.376 2.154 10 0 DEAERO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccccc2F)C1 ZINC000174221313 402732295 /nfs/dbraw/zinc/73/22/95/402732295.db2.gz RPWRUTAYDMVEKR-AWEZNQCLSA-N 1 0 307.413 2.428 10 0 DEAERO CCN(CC[NH2+]Cc1ccc2c(c1)sc(=O)n2C)C1CC1 ZINC000192527121 402734793 /nfs/dbraw/zinc/73/47/93/402734793.db2.gz WVJJCTPIAXGCKO-UHFFFAOYSA-N 1 0 305.447 2.174 10 0 DEAERO Cc1ccc(CCCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000174326344 402736742 /nfs/dbraw/zinc/73/67/42/402736742.db2.gz CNEIQCITYGBYKS-IAGOWNOFSA-N 1 0 318.461 2.231 10 0 DEAERO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccc2c(c1)sc(=O)n2C ZINC000192637752 402741740 /nfs/dbraw/zinc/74/17/40/402741740.db2.gz GMRSJJCHHNUNQA-OAHLLOKOSA-N 1 0 319.474 2.372 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cnn(CC3CC3)c2)CC[N@@H+]1C ZINC000174452763 402741834 /nfs/dbraw/zinc/74/18/34/402741834.db2.gz ZEQGSBPFACNRPU-WFASDCNBSA-N 1 0 305.426 2.240 10 0 DEAERO Cc1c(O)ccc2c(C[NH2+][C@H](C)[C@H]3CCCO3)cc(=O)oc12 ZINC000183140618 402742546 /nfs/dbraw/zinc/74/25/46/402742546.db2.gz KJDJGOWVZWKGDK-IAQYHMDHSA-N 1 0 303.358 2.464 10 0 DEAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)N1CCc2sccc2C1 ZINC000183153707 402743554 /nfs/dbraw/zinc/74/35/54/402743554.db2.gz XVRXXDFCQXYRSH-OBJOEFQTSA-N 1 0 308.447 2.178 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@H]2c2cccc(F)c2F)n1 ZINC000263251782 402750671 /nfs/dbraw/zinc/75/06/71/402750671.db2.gz PZJIHOBXWBZNLR-GMXVVIOVSA-N 1 0 320.343 2.195 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(C2(Cc3ccccc3)CCC2)n1 ZINC000263278758 402753869 /nfs/dbraw/zinc/75/38/69/402753869.db2.gz TXMZPKVWVWUMNJ-HNNXBMFYSA-N 1 0 312.417 2.310 10 0 DEAERO CC[C@@H](Oc1cccc(C)c1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263298572 402755730 /nfs/dbraw/zinc/75/57/30/402755730.db2.gz WTWGZLQLDDGYDN-LSDHHAIUSA-N 1 0 316.405 2.484 10 0 DEAERO O=C(NCC1(c2cccc(Br)c2)CCC1)C1C[NH2+]C1 ZINC000263339331 402760071 /nfs/dbraw/zinc/76/00/71/402760071.db2.gz XAFDQYKICYMOGQ-UHFFFAOYSA-N 1 0 323.234 2.206 10 0 DEAERO CC(C)c1noc(CCCNC(=O)c2c[nH+]ccc2N(C)C)n1 ZINC000183474424 402770241 /nfs/dbraw/zinc/77/02/41/402770241.db2.gz MYECWVMZSOLIST-UHFFFAOYSA-N 1 0 317.393 2.017 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1nc(C)c(Cl)c1C ZINC000175035573 402772924 /nfs/dbraw/zinc/77/29/24/402772924.db2.gz SRDPHGFWPNJATB-UONOGXRCSA-N 1 0 324.856 2.239 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1COc2ccccc21 ZINC000175046634 402774422 /nfs/dbraw/zinc/77/44/22/402774422.db2.gz RJTDOPHCYAKBHB-IIAWOOMASA-N 1 0 300.402 2.248 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccoc2)no1 ZINC000175044321 402774471 /nfs/dbraw/zinc/77/44/71/402774471.db2.gz NGGJEIIUPXBHQC-ZIAGYGMSSA-N 1 0 302.378 2.388 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)NC3CC[NH+](C)CC3)nc21 ZINC000175070893 402776450 /nfs/dbraw/zinc/77/64/50/402776450.db2.gz GCYNGMXCUFPNIY-UHFFFAOYSA-N 1 0 300.406 2.014 10 0 DEAERO CCO[C@@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC000183585979 402779077 /nfs/dbraw/zinc/77/90/77/402779077.db2.gz MPABVGVKNLFUAQ-HUUCEWRRSA-N 1 0 303.406 2.225 10 0 DEAERO COc1cccc(OC)c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175104691 402779815 /nfs/dbraw/zinc/77/98/15/402779815.db2.gz QUGAXLBULRNIMJ-CHWSQXEVSA-N 1 0 306.406 2.259 10 0 DEAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000182893598 402725050 /nfs/dbraw/zinc/72/50/50/402725050.db2.gz WJXDXSMXTOEQFI-RHSMWYFYSA-N 1 0 310.397 2.287 10 0 DEAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183689918 402789180 /nfs/dbraw/zinc/78/91/80/402789180.db2.gz ULSJRKIKOMCBIW-OWCLPIDISA-N 1 0 309.498 2.201 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NCCOC1CCCC1 ZINC000194313466 402791825 /nfs/dbraw/zinc/79/18/25/402791825.db2.gz NKHGODKXECHAAH-UHFFFAOYSA-N 1 0 320.433 2.316 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)c2nccs2)C1 ZINC000183726312 402792022 /nfs/dbraw/zinc/79/20/22/402792022.db2.gz UZPRGTAGVGJIJS-UPJWGTAASA-N 1 0 310.467 2.275 10 0 DEAERO CCC[C@H](C(=O)N1CC[C@](C(=O)OCC)(C(C)C)C1)[NH+](C)C ZINC000194325140 402792393 /nfs/dbraw/zinc/79/23/93/402792393.db2.gz NGVRSSIEFYHYTH-RHSMWYFYSA-N 1 0 312.454 2.155 10 0 DEAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)c(C)o1 ZINC000183783909 402797469 /nfs/dbraw/zinc/79/74/69/402797469.db2.gz DLPQJSRSAMLZSK-NEPJUHHUSA-N 1 0 309.410 2.417 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(F)c1F ZINC000175393464 402802432 /nfs/dbraw/zinc/80/24/32/402802432.db2.gz KNTPQISPMGDMNH-LLVKDONJSA-N 1 0 318.389 2.070 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C)sc1C ZINC000175398980 402803163 /nfs/dbraw/zinc/80/31/63/402803163.db2.gz GBCSIQYURNLDET-CYBMUJFWSA-N 1 0 316.492 2.470 10 0 DEAERO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195339108 402842972 /nfs/dbraw/zinc/84/29/72/402842972.db2.gz JEVGLKVLJLCFQO-NWDGAFQWSA-N 1 0 310.344 2.039 10 0 DEAERO O=C(c1ccc(-n2cccn2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195088744 402831260 /nfs/dbraw/zinc/83/12/60/402831260.db2.gz SQVGTXBOMDINQF-QGZVFWFLSA-N 1 0 310.401 2.183 10 0 DEAERO Cc1cccc(C)c1OCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195097696 402831848 /nfs/dbraw/zinc/83/18/48/402831848.db2.gz XFSDHTYCUIOVMP-INIZCTEOSA-N 1 0 302.418 2.379 10 0 DEAERO O=C(c1c[nH]nc1C1CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000184403242 402841696 /nfs/dbraw/zinc/84/16/96/402841696.db2.gz ICKTVWQEXZPMJP-UHFFFAOYSA-N 1 0 302.422 2.235 10 0 DEAERO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000194131269 402785166 /nfs/dbraw/zinc/78/51/66/402785166.db2.gz YOCFKCDWJGCZFR-GDBMZVCRSA-N 1 0 309.454 2.071 10 0 DEAERO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(c3ccnn3C)CC2)C1 ZINC000195502953 402847555 /nfs/dbraw/zinc/84/75/55/402847555.db2.gz VJXNYZLKQAZDJV-GJZGRUSLSA-N 1 0 318.465 2.104 10 0 DEAERO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506419 402848000 /nfs/dbraw/zinc/84/80/00/402848000.db2.gz SYAHEBHYSHVBMS-RBSFLKMASA-N 1 0 318.465 2.482 10 0 DEAERO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)C1 ZINC000195506068 402848103 /nfs/dbraw/zinc/84/81/03/402848103.db2.gz AHHGDIBOLJBYCP-ZIAGYGMSSA-N 1 0 304.438 2.094 10 0 DEAERO CC(C)N(C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1)C(C)C ZINC000195515671 402848584 /nfs/dbraw/zinc/84/85/84/402848584.db2.gz CPFZRFHXDZLEKP-MRXNPFEDSA-N 1 0 318.465 2.461 10 0 DEAERO CC(C)CCOCC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195513449 402849027 /nfs/dbraw/zinc/84/90/27/402849027.db2.gz IDFAYWDEQVKWNL-UHFFFAOYSA-N 1 0 309.454 2.118 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc2nnc(C(F)F)n2n1 ZINC000271358074 402862132 /nfs/dbraw/zinc/86/21/32/402862132.db2.gz OIZPDMXPGOGVSK-WDEREUQCSA-N 1 0 322.363 2.125 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1csc(NC2CC2)n1 ZINC000265829640 402954389 /nfs/dbraw/zinc/95/43/89/402954389.db2.gz PVWCFZPSBJMVMT-NSHDSACASA-N 1 0 308.451 2.322 10 0 DEAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCOCC12CCCC2 ZINC000270680556 403212678 /nfs/dbraw/zinc/21/26/78/403212678.db2.gz UNKCGNQPUPKORT-KRWDZBQOSA-N 1 0 305.418 2.209 10 0 DEAERO Cn1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1C1CC1 ZINC000270398996 403187543 /nfs/dbraw/zinc/18/75/43/403187543.db2.gz CBYUIKOFNJJNGM-WMZOPIPTSA-N 1 0 324.428 2.473 10 0 DEAERO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cn[nH]c1 ZINC000270398555 403187711 /nfs/dbraw/zinc/18/77/11/403187711.db2.gz YWEBAKJZEMMFIK-HIFRSBDPSA-N 1 0 305.426 2.131 10 0 DEAERO CC(=O)CC[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000298465112 403388417 /nfs/dbraw/zinc/38/84/17/403388417.db2.gz RXZQGOOHKJPWJH-ZDUSSCGKSA-N 1 0 300.196 2.393 10 0 DEAERO Cc1cnn(C)c1C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000285861573 403398561 /nfs/dbraw/zinc/39/85/61/403398561.db2.gz IPGSDYYOUXGPFN-ZDUSSCGKSA-N 1 0 308.426 2.075 10 0 DEAERO CC(=O)c1ccc(CC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000298705160 403443862 /nfs/dbraw/zinc/44/38/62/403443862.db2.gz CHDVERNXKNSJRH-CQSZACIVSA-N 1 0 302.418 2.422 10 0 DEAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC(=O)N1CCOCC1 ZINC000345706810 403446288 /nfs/dbraw/zinc/44/62/88/403446288.db2.gz MLOSRBXRNXUCQU-RAXLEYEMSA-N 1 0 308.809 2.192 10 0 DEAERO NC(=O)c1cccc(CN2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1 ZINC000339781027 403447662 /nfs/dbraw/zinc/44/76/62/403447662.db2.gz NPIQNSDRHRSCMU-IRXDYDNUSA-N 1 0 314.360 2.233 10 0 DEAERO Cn1nccc1[C@H]1[C@H]([NH2+][C@@H]2C=CCCCCC2)CC(=O)N1C ZINC000293710139 403544029 /nfs/dbraw/zinc/54/40/29/403544029.db2.gz XSFAUZBZLLKUEX-CKEIUWERSA-N 1 0 302.422 2.170 10 0 DEAERO CC[C@@H]1CN(c2ccnc3cc(F)cnc32)C[C@H](C)S1(=O)=O ZINC000286336276 403502612 /nfs/dbraw/zinc/50/26/12/403502612.db2.gz IBYUKWDMPCLYPD-CMPLNLGQSA-N 1 0 323.393 2.171 10 0 DEAERO CSC[C@@H](CCO)Nc1cc(N2CCC[C@@H](C)C2)ncn1 ZINC000301366651 403620476 /nfs/dbraw/zinc/62/04/76/403620476.db2.gz RAYHBUOPHPDHGF-CHWSQXEVSA-N 1 0 310.467 2.239 10 0 DEAERO Cc1cc(C)n(-c2cncc(N(C)C[C@H]3CCC[N@H+](C)C3)n2)n1 ZINC000301381125 403622889 /nfs/dbraw/zinc/62/28/89/403622889.db2.gz YMPBYFMRSDNYHL-HNNXBMFYSA-N 1 0 314.437 2.057 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@]1(C)CCO[C@H]1C1CC1 ZINC000332868404 403628484 /nfs/dbraw/zinc/62/84/84/403628484.db2.gz OLBIHSBUACIMLF-RYRKJORJSA-N 1 0 323.481 2.364 10 0 DEAERO Cn1cc([C@@H](CNc2c(F)c(F)nc(F)c2F)[NH+](C)C)cn1 ZINC000301613465 403654382 /nfs/dbraw/zinc/65/43/82/403654382.db2.gz TWOIKWHWHJOXCX-MRVPVSSYSA-N 1 0 317.290 2.086 10 0 DEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1[C@@H]3CCO[C@@H]3C1(C)C)CC2 ZINC000333257883 403709369 /nfs/dbraw/zinc/70/93/69/403709369.db2.gz FQWKPDQEIWXSKI-VIRABCJISA-N 1 0 304.438 2.119 10 0 DEAERO Cc1nn2c(CN[C@@H]3CC[NH2+]C[C@H]3C)c(C(C)C)nc2s1 ZINC000333176204 403686326 /nfs/dbraw/zinc/68/63/26/403686326.db2.gz QYRSYXLXABYZCU-ZYHUDNBSSA-N 1 0 307.467 2.310 10 0 DEAERO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000333017465 403649086 /nfs/dbraw/zinc/64/90/86/403649086.db2.gz HHMCKUOHLGGSNT-SJCJKPOMSA-N 1 0 312.373 2.010 10 0 DEAERO CC1(C)Cc2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c(O)c2O1 ZINC000333034020 403650964 /nfs/dbraw/zinc/65/09/64/403650964.db2.gz ICLXSYMQXBQVRI-ZDUSSCGKSA-N 1 0 316.401 2.026 10 0 DEAERO O=C(N[C@H]1CCCN(c2ccccc2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333440357 403752256 /nfs/dbraw/zinc/75/22/56/403752256.db2.gz WAPZRUTVBVXCSV-CVEARBPZSA-N 1 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CCn1nncc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000459344931 405861580 /nfs/dbraw/zinc/86/15/80/405861580.db2.gz VLJNQXYWDYXDIL-INIZCTEOSA-N 1 0 305.470 2.386 10 0 DEAERO C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCCNc2cc[nH+]cc2)o1 ZINC000560752822 405867073 /nfs/dbraw/zinc/86/70/73/405867073.db2.gz PVLSWUAFRSYZSL-IUODEOHRSA-N 1 0 314.389 2.131 10 0 DEAERO C[C@@H](O)CC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000450513915 405938546 /nfs/dbraw/zinc/93/85/46/405938546.db2.gz BKEAOFQCRDVCFY-LLVKDONJSA-N 1 0 311.813 2.156 10 0 DEAERO c1cc(C[NH2+]CCC[C@H]2CCO2)c(OC[C@H]2CCOC2)cn1 ZINC000639184142 405953047 /nfs/dbraw/zinc/95/30/47/405953047.db2.gz ISGLWNYOMRRBDT-HOCLYGCPSA-N 1 0 306.406 2.156 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000561310754 405919138 /nfs/dbraw/zinc/91/91/38/405919138.db2.gz OEDVMMMZTLJKAU-QGZVFWFLSA-N 1 0 321.440 2.200 10 0 DEAERO COc1nsc(C[NH2+]CC[C@H](C)CCO)c1Br ZINC000639214247 405980229 /nfs/dbraw/zinc/98/02/29/405980229.db2.gz OBZRFVKRLMANIT-QMMMGPOBSA-N 1 0 323.256 2.412 10 0 DEAERO c1c(C[N@@H+]2CCC[C@H](C3CCC3)C2)nnn1C[C@@H]1CCOC1 ZINC000639328342 406048195 /nfs/dbraw/zinc/04/81/95/406048195.db2.gz HFSGAWCYQXTHMI-HOCLYGCPSA-N 1 0 304.438 2.327 10 0 DEAERO c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@@H]1c1ccc3c(c1)OCO3)CC2 ZINC000639473999 406105629 /nfs/dbraw/zinc/10/56/29/406105629.db2.gz QVKILVXEUOGHGC-UONOGXRCSA-N 1 0 312.373 2.331 10 0 DEAERO c1nc2n(n1)[C@H](CN(CC[NH+]1CCCCCC1)C1CCC1)CC2 ZINC000639648242 406189497 /nfs/dbraw/zinc/18/94/97/406189497.db2.gz MZKZMCADHCAPFX-KRWDZBQOSA-N 1 0 317.481 2.496 10 0 DEAERO c1nc2n(n1)[C@H](CN1CCC([NH2+]Cc3ccccc3)CC1)CC2 ZINC000639661357 406195354 /nfs/dbraw/zinc/19/53/54/406195354.db2.gz SYTKTYKOOGOSMT-KRWDZBQOSA-N 1 0 311.433 2.020 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2COc3cc(OC)ccc32)C1 ZINC000534818462 406195512 /nfs/dbraw/zinc/19/55/12/406195512.db2.gz XIHZBJLKHPJRGN-UONOGXRCSA-N 1 0 318.417 2.019 10 0 DEAERO c1cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c2c(c1)COCC2 ZINC000639693430 406208822 /nfs/dbraw/zinc/20/88/22/406208822.db2.gz OHYFCFXKUQDWBM-QGZVFWFLSA-N 1 0 305.443 2.467 10 0 DEAERO Cc1cccn2cc(CC(=O)NCC[N@@H+]3CCCC3(C)C)nc12 ZINC000568203213 406211951 /nfs/dbraw/zinc/21/19/51/406211951.db2.gz KUUPSNJZSGXTEN-UHFFFAOYSA-N 1 0 314.433 2.176 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000487261611 406219850 /nfs/dbraw/zinc/21/98/50/406219850.db2.gz BNMFMAGQNJNUKO-OLZOCXBDSA-N 1 0 316.243 2.213 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000487277599 406221365 /nfs/dbraw/zinc/22/13/65/406221365.db2.gz LRYJGMGXRGOUGB-SNVBAGLBSA-N 1 0 314.227 2.374 10 0 DEAERO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCn2nccc21 ZINC000487727738 406259635 /nfs/dbraw/zinc/25/96/35/406259635.db2.gz JSYGFVXPAHMGKZ-CQSZACIVSA-N 1 0 302.422 2.274 10 0 DEAERO O=C(NCc1cc(Cl)ccc1Br)[C@@H]1CC[NH2+]C1 ZINC000569482594 406260956 /nfs/dbraw/zinc/26/09/56/406260956.db2.gz LDSHCYUUNGIPHR-MRVPVSSYSA-N 1 0 317.614 2.328 10 0 DEAERO C[C@@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)COCc1ccccc1 ZINC000634747013 406262296 /nfs/dbraw/zinc/26/22/96/406262296.db2.gz VBRZRRFYLZAPJO-IEZWGBDMSA-N 1 0 316.445 2.345 10 0 DEAERO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cc(Br)c[nH]2)C1 ZINC000634755619 406266726 /nfs/dbraw/zinc/26/67/26/406266726.db2.gz CSEJHIUCNWBWSO-SNVBAGLBSA-N 1 0 314.227 2.285 10 0 DEAERO c1cc(N2CCC[C@H]3C[NH2+]CC[C@H]32)nc(N2CCCCC2)n1 ZINC000634812716 406295915 /nfs/dbraw/zinc/29/59/15/406295915.db2.gz PNTKXLINXVFNOL-LSDHHAIUSA-N 1 0 301.438 2.045 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000488111398 406293814 /nfs/dbraw/zinc/29/38/14/406293814.db2.gz XSBZCLOBMALDHQ-KSFYIVLOSA-N 1 0 322.474 2.257 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1C ZINC000632882418 406305440 /nfs/dbraw/zinc/30/54/40/406305440.db2.gz YLRAKSVHJJRPDJ-KGLIPLIRSA-N 1 0 303.406 2.048 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)c2cncnc2)[C@@H]1c1cccs1 ZINC000546891184 406386363 /nfs/dbraw/zinc/38/63/63/406386363.db2.gz AJVIGKMBITYHLN-IUODEOHRSA-N 1 0 316.430 2.351 10 0 DEAERO Brc1cccc2c1C[C@@H]1[C@H](N[C@H]3CCC[NH2+]C3)[C@H]21 ZINC000634997402 406390379 /nfs/dbraw/zinc/39/03/79/406390379.db2.gz KIKQJCQMLWBLQZ-GGZSPTBLSA-N 1 0 307.235 2.429 10 0 DEAERO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ccncc1C#N ZINC000547503234 406417680 /nfs/dbraw/zinc/41/76/80/406417680.db2.gz AVAVPYLNZZJBBV-UHFFFAOYSA-N 1 0 321.428 2.212 10 0 DEAERO CC(=O)c1cccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000521983037 406381333 /nfs/dbraw/zinc/38/13/33/406381333.db2.gz CFLXWJVXWGKBGS-QGZVFWFLSA-N 1 0 301.390 2.497 10 0 DEAERO [NH3+][C@@H]1CC=C(C(=O)NCc2cc(Br)cs2)C1 ZINC000637936910 406486260 /nfs/dbraw/zinc/48/62/60/406486260.db2.gz UJIZLZTXNZTEDI-SECBINFHSA-N 1 0 301.209 2.174 10 0 DEAERO c1ccc(N2CC[C@H](C[NH+]3CCN(c4ncccn4)CC3)C2)cc1 ZINC000637836785 406439859 /nfs/dbraw/zinc/43/98/59/406439859.db2.gz UCTCUZVUOCEUGG-QGZVFWFLSA-N 1 0 323.444 2.125 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC1CCCCCC1 ZINC000637875327 406458013 /nfs/dbraw/zinc/45/80/13/406458013.db2.gz SPXXSKKYJOHIMW-QGZVFWFLSA-N 1 0 303.450 2.285 10 0 DEAERO CN(Cc1ccc(Br)cc1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637880821 406460301 /nfs/dbraw/zinc/46/03/01/406460301.db2.gz CDYMGSZBJLNSPZ-ZDUSSCGKSA-N 1 0 309.207 2.455 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637886253 406462189 /nfs/dbraw/zinc/46/21/89/406462189.db2.gz ZVJRUCNGLHJBCF-NWDGAFQWSA-N 1 0 303.189 2.068 10 0 DEAERO O=C(N[C@@H](CO)CC1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000548890704 406563892 /nfs/dbraw/zinc/56/38/92/406563892.db2.gz YKEWSWCGGAAJON-AQFXKWCLSA-N 1 0 323.481 2.244 10 0 DEAERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc2nccnc21 ZINC000548394505 406510398 /nfs/dbraw/zinc/51/03/98/406510398.db2.gz DWYHPGDXVGLEHG-HNNXBMFYSA-N 1 0 312.417 2.480 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000637987947 406511576 /nfs/dbraw/zinc/51/15/76/406511576.db2.gz UYCMPXPJCUIVJA-XIRDDKMYSA-N 1 0 303.450 2.141 10 0 DEAERO CC(=O)N(Cc1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)cc1)C1CC1 ZINC000638007423 406520028 /nfs/dbraw/zinc/52/00/28/406520028.db2.gz PNHHAGUKVFGGGL-HNNXBMFYSA-N 1 0 313.401 2.184 10 0 DEAERO c1nc(-c2ccncc2)sc1C[NH2+]CCOC[C@@H]1CCCO1 ZINC000553473227 406761182 /nfs/dbraw/zinc/76/11/82/406761182.db2.gz DPWBYGVNLMRNGF-AWEZNQCLSA-N 1 0 319.430 2.490 10 0 DEAERO c1cc(N2CCOCC2)ncc1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638346363 406715593 /nfs/dbraw/zinc/71/55/93/406715593.db2.gz WLLJKMBWVPJONK-OIISXLGYSA-N 1 0 301.434 2.444 10 0 DEAERO COCCCC[NH2+]Cc1snc(OC)c1Br ZINC000638370712 406730748 /nfs/dbraw/zinc/73/07/48/406730748.db2.gz FPXWZYPEAZVCAI-UHFFFAOYSA-N 1 0 309.229 2.430 10 0 DEAERO C[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1ccc(Cl)cc1Cl ZINC000643619218 407018095 /nfs/dbraw/zinc/01/80/95/407018095.db2.gz PTOZSDXONZXTQU-ZJUUUORDSA-N 1 0 317.216 2.407 10 0 DEAERO COC[C@]1(C(=O)NCc2cccc(Cl)c2Cl)CCC[NH2+]1 ZINC000643629750 407019349 /nfs/dbraw/zinc/01/93/49/407019349.db2.gz ZXISRBKSWKYXRC-AWEZNQCLSA-N 1 0 317.216 2.378 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643645311 407021556 /nfs/dbraw/zinc/02/15/56/407021556.db2.gz JCBNVVBSLHLFFD-NSHDSACASA-N 1 0 317.216 2.188 10 0 DEAERO CN(C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(CO)cc2)nn1 ZINC000643731287 407034606 /nfs/dbraw/zinc/03/46/06/407034606.db2.gz NDMSPCDRBSDZGS-QGZVFWFLSA-N 1 0 312.417 2.372 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000128662399 195982136 /nfs/dbraw/zinc/98/21/36/195982136.db2.gz GBKXJMLLIKGZQD-RAEVTNRLSA-N 1 0 315.417 2.281 10 0 DEAERO Cc1cccc(S(=O)(=O)N(C)c2ccccc2C(N)=[NH2+])c1 ZINC000129063487 196016601 /nfs/dbraw/zinc/01/66/01/196016601.db2.gz PNZNPMIEGPLAAZ-UHFFFAOYSA-N 1 0 303.387 2.104 10 0 DEAERO COc1ccc(/C=C/C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000129099396 196018911 /nfs/dbraw/zinc/01/89/11/196018911.db2.gz WDQHEIOQENQEKQ-LYEGFCJJSA-N 1 0 316.401 2.116 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc(Cl)c(CO)s1 ZINC000129141418 196022695 /nfs/dbraw/zinc/02/26/95/196022695.db2.gz KAONUZYRARTNGL-NXEZZACHSA-N 1 0 301.843 2.352 10 0 DEAERO CCC[NH2+]C[C@@H]1CC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129285833 196035893 /nfs/dbraw/zinc/03/58/93/196035893.db2.gz HFUWOFNXLSTBKR-KKUMJFAQSA-N 1 0 302.484 2.074 10 0 DEAERO C[NH+](C)C1CCN([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000129407589 196045666 /nfs/dbraw/zinc/04/56/66/196045666.db2.gz DWDVTQWZRZLLNF-OAHLLOKOSA-N 1 0 323.387 2.096 10 0 DEAERO C[NH+](C)C1CCN([C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000129407791 196046128 /nfs/dbraw/zinc/04/61/28/196046128.db2.gz DWDVTQWZRZLLNF-HNNXBMFYSA-N 1 0 323.387 2.096 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(O)c(F)c2)[C@H](C)C1 ZINC000129505720 196053832 /nfs/dbraw/zinc/05/38/32/196053832.db2.gz ATIOBQUTIDCWIC-IUODEOHRSA-N 1 0 323.412 2.403 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000129632119 196062913 /nfs/dbraw/zinc/06/29/13/196062913.db2.gz FHUUOILTCRGMKS-SNVBAGLBSA-N 1 0 312.211 2.481 10 0 DEAERO Cc1cc(Br)cc2nc([C@@]3(C)COC[C@H]3[NH3+])[nH]c21 ZINC000129620877 196063072 /nfs/dbraw/zinc/06/30/72/196063072.db2.gz WJXBREOQSRWKRP-MFKMUULPSA-N 1 0 310.195 2.249 10 0 DEAERO CCCNc1cc(C)[nH+]cc1C(=O)N[C@H](C)CC[S@](C)=O ZINC000129660555 196066032 /nfs/dbraw/zinc/06/60/32/196066032.db2.gz KSJNVKTVAKJDSL-WSVYEEACSA-N 1 0 311.451 2.099 10 0 DEAERO CC(C)(C)c1csc(NC(=O)C(C)(C)N2CC[NH2+]CC2)n1 ZINC000129707492 196069013 /nfs/dbraw/zinc/06/90/13/196069013.db2.gz WTVJONHQRZWJBF-UHFFFAOYSA-N 1 0 310.467 2.063 10 0 DEAERO O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000130615744 196096112 /nfs/dbraw/zinc/09/61/12/196096112.db2.gz UTPLWYHAPIQXHJ-ZACQAIPSSA-N 1 0 302.418 2.071 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000130640019 196097985 /nfs/dbraw/zinc/09/79/85/196097985.db2.gz MUDKFMGYFUJSEO-FGTMMUONSA-N 1 0 313.445 2.500 10 0 DEAERO C[NH2+]C[C@H]1COCCN1Cc1ccc(F)cc1Br ZINC000130750805 196105940 /nfs/dbraw/zinc/10/59/40/196105940.db2.gz VDAKFSAVBLNSEQ-LBPRGKRZSA-N 1 0 317.202 2.008 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000130811024 196112211 /nfs/dbraw/zinc/11/22/11/196112211.db2.gz ULWSTDBHSWTJFS-XQQFMLRXSA-N 1 0 314.476 2.113 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NCC[C@@H](C)SC)cc1 ZINC000130959135 196126668 /nfs/dbraw/zinc/12/66/68/196126668.db2.gz UPRLCHLULBESHW-GFCCVEGCSA-N 1 0 316.492 2.216 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)c1c(OC)cccc1OC ZINC000131116982 196141667 /nfs/dbraw/zinc/14/16/67/196141667.db2.gz QWGPMIHWPULCJY-GFCCVEGCSA-N 1 0 315.435 2.179 10 0 DEAERO CC(C)[NH+](CCNC(=O)N1CC[C@H]2OCCC[C@H]2C1)C(C)C ZINC000131116534 196141928 /nfs/dbraw/zinc/14/19/28/196141928.db2.gz UDSCAKDCZWEXQE-JKSUJKDBSA-N 1 0 311.470 2.316 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NCCCCC(F)(F)F)o1 ZINC000131191613 196148442 /nfs/dbraw/zinc/14/84/42/196148442.db2.gz LZAYHSGPYXKHGS-UHFFFAOYSA-N 1 0 314.329 2.010 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])c1ccc(F)cc1Br ZINC000131306253 196158753 /nfs/dbraw/zinc/15/87/53/196158753.db2.gz APZJTNPQJMIZNY-NSHDSACASA-N 1 0 324.215 2.413 10 0 DEAERO C[NH+](C)C[C@@](C)(O)CNCc1ccc(-c2ccncc2)cc1F ZINC000131371248 196162516 /nfs/dbraw/zinc/16/25/16/196162516.db2.gz CTOUOOXQWHDVQS-SFHVURJKSA-N 1 0 317.408 2.290 10 0 DEAERO CCC[NH2+]C[C@@H]1COCCN1c1ncccc1Br ZINC000131441924 196168325 /nfs/dbraw/zinc/16/83/25/196168325.db2.gz LOGIRNZKIPJJKL-LLVKDONJSA-N 1 0 314.227 2.049 10 0 DEAERO Cc1cccc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])c1Br ZINC000131436019 196168340 /nfs/dbraw/zinc/16/83/40/196168340.db2.gz NTVYSTSVBMNVSR-GXFFZTMASA-N 1 0 313.195 2.060 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1nc2ccccc2c(=O)[nH]1 ZINC000131474034 196172760 /nfs/dbraw/zinc/17/27/60/196172760.db2.gz VXDDKAUPUIMUPX-CYBMUJFWSA-N 1 0 300.406 2.455 10 0 DEAERO CCC[NH2+][C@H](Cc1cccc(F)c1F)[C@@H](C)S(C)(=O)=O ZINC000131485815 196173281 /nfs/dbraw/zinc/17/32/81/196173281.db2.gz JOQGTAAHTHTIHB-ZWNOBZJWSA-N 1 0 305.390 2.309 10 0 DEAERO CC(C)[NH2+]C[C@@H]1COCCN1c1ncccc1Br ZINC000131489529 196174009 /nfs/dbraw/zinc/17/40/09/196174009.db2.gz IYKRCICUKBWNAH-LLVKDONJSA-N 1 0 314.227 2.047 10 0 DEAERO CS[C@H](C)CCNS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000131612562 196184656 /nfs/dbraw/zinc/18/46/56/196184656.db2.gz IEAYTXIJWQZLJY-LLVKDONJSA-N 1 0 320.480 2.198 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C)C2)cs1 ZINC000131779931 196198236 /nfs/dbraw/zinc/19/82/36/196198236.db2.gz WHQWTPZNNNRSCH-MNOVXSKESA-N 1 0 302.465 2.134 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000131797626 196200174 /nfs/dbraw/zinc/20/01/74/196200174.db2.gz WERXEBRWQFREKD-ONGXEEELSA-N 1 0 302.827 2.149 10 0 DEAERO C[C@@H](C(=O)N1CCC(c2cc[nH]n2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000131934480 196211423 /nfs/dbraw/zinc/21/14/23/196211423.db2.gz VAAZYIQFQIVCCD-MJBXVCDLSA-N 1 0 304.438 2.377 10 0 DEAERO COC[C@@H](C)[C@@H](C[NH3+])N(C)Cc1cccc(Br)c1 ZINC000131958153 196213861 /nfs/dbraw/zinc/21/38/61/196213861.db2.gz FHNWKSMDWXJNEI-BXUZGUMPSA-N 1 0 315.255 2.491 10 0 DEAERO C[NH+](C)CC(C)(C)CNC(=O)c1sc2cccnc2c1N ZINC000132131326 196228208 /nfs/dbraw/zinc/22/82/08/196228208.db2.gz GFEACHJMWMALQO-UHFFFAOYSA-N 1 0 306.435 2.196 10 0 DEAERO CC(C)([C@@H]([NH3+])c1cscc1Br)S(C)(=O)=O ZINC000132254606 196239034 /nfs/dbraw/zinc/23/90/34/196239034.db2.gz ZNLNORONPJGCEA-QMMMGPOBSA-N 1 0 312.254 2.334 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(O[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000132300373 196243070 /nfs/dbraw/zinc/24/30/70/196243070.db2.gz KFSYHOKEWNMPRC-GXSJLCMTSA-N 1 0 303.811 2.186 10 0 DEAERO C[C@H]1N[C@H](c2ccsc2)N(CC2([NH+](C)C)CCCC2)C1=O ZINC000132432270 196254833 /nfs/dbraw/zinc/25/48/33/196254833.db2.gz HDPREQFGVWISIV-OCCSQVGLSA-N 1 0 307.463 2.441 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC000132490750 196259370 /nfs/dbraw/zinc/25/93/70/196259370.db2.gz MAJDSDCWGOGGCN-BMIGLBTASA-N 1 0 314.351 2.491 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H](COCc2cc(F)cc(Br)c2)O1 ZINC000132630000 196272609 /nfs/dbraw/zinc/27/26/09/196272609.db2.gz VXSWGZZTVHCZNO-ZANVPECISA-N 1 0 318.186 2.482 10 0 DEAERO Cc1ccc([C@@H](C[NH3+])N[C@@H](C)CCO)c(Br)c1 ZINC000132684023 196275791 /nfs/dbraw/zinc/27/57/91/196275791.db2.gz QLAOUAJDTVLABQ-GXFFZTMASA-N 1 0 301.228 2.118 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H](COCc2cccc(Br)c2)O1 ZINC000132729241 196278655 /nfs/dbraw/zinc/27/86/55/196278655.db2.gz IWOXMRKXQNWLGK-GWCFXTLKSA-N 1 0 300.196 2.343 10 0 DEAERO Cc1cc(Cl)c(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c(Cl)n1 ZINC000132873994 196292679 /nfs/dbraw/zinc/29/26/79/196292679.db2.gz XRJZLJQGTDZOPQ-SKDRFNHKSA-N 1 0 304.221 2.245 10 0 DEAERO O[C@H](Cc1ccc(F)c(Br)c1)C1CC[NH2+]CC1 ZINC000133005391 196303399 /nfs/dbraw/zinc/30/33/99/196303399.db2.gz ALBLHHOFEMIUQA-CYBMUJFWSA-N 1 0 302.187 2.491 10 0 DEAERO COCc1cc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)ccc1OC ZINC000133006554 196304697 /nfs/dbraw/zinc/30/46/97/196304697.db2.gz BHMYRYKSUQLSKQ-WFASDCNBSA-N 1 0 306.406 2.113 10 0 DEAERO COc1ccc(C[C@@H](O)[C@H]2CCC[NH2+]C2)cc1Br ZINC000133096117 196311377 /nfs/dbraw/zinc/31/13/77/196311377.db2.gz ROXUFQHPCVCGOV-WCQYABFASA-N 1 0 314.223 2.361 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000133168524 196318071 /nfs/dbraw/zinc/31/80/71/196318071.db2.gz RBAGFUKCIJXIPH-UHFFFAOYSA-N 1 0 317.433 2.483 10 0 DEAERO CCC[NH2+][C@H](c1ccc(COC)o1)C(C)(C)S(C)(=O)=O ZINC000133234637 196323630 /nfs/dbraw/zinc/32/36/30/196323630.db2.gz WEPZMPRYJPAYHR-CYBMUJFWSA-N 1 0 303.424 2.290 10 0 DEAERO CCC([NH3+])(CC)CNc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000133505688 196330206 /nfs/dbraw/zinc/33/02/06/196330206.db2.gz UJMQXWGFGPOSEW-UHFFFAOYSA-N 1 0 313.467 2.303 10 0 DEAERO C[C@H]1C[N@H+](C)CC[C@@H]1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000133729886 196332062 /nfs/dbraw/zinc/33/20/62/196332062.db2.gz FVKGHEJPEBYPIJ-WPRPVWTQSA-N 1 0 302.205 2.458 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N(C)CCC[NH3+] ZINC000133751336 196334138 /nfs/dbraw/zinc/33/41/38/196334138.db2.gz VSPKFAZGEWGWBN-UHFFFAOYSA-N 1 0 302.216 2.081 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CC[C@H](NC(C)=O)C1 ZINC000133764981 196335095 /nfs/dbraw/zinc/33/50/95/196335095.db2.gz SRKSZFPGHIGCPA-VBNZEHGJSA-N 1 0 309.841 2.329 10 0 DEAERO CC[NH2+][C@H](c1c(Br)cnn1C)[C@@H]1CCCCO1 ZINC000133802913 196336747 /nfs/dbraw/zinc/33/67/47/196336747.db2.gz ODKNQRKABHQCGX-QWRGUYRKSA-N 1 0 302.216 2.402 10 0 DEAERO CC[NH2+][C@H](c1c(Br)cnn1C)[C@@H]1CO[C@@H](C)C1 ZINC000133932422 196347178 /nfs/dbraw/zinc/34/71/78/196347178.db2.gz IQJCTRKFAFZZEW-QXEWZRGKSA-N 1 0 302.216 2.258 10 0 DEAERO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)/C=C/c1ccccc1 ZINC000134071320 196359208 /nfs/dbraw/zinc/35/92/08/196359208.db2.gz GXLZVRTWDCCJKZ-RHRXWLLISA-N 1 0 308.447 2.484 10 0 DEAERO COCC(C)(C)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000134309858 196378376 /nfs/dbraw/zinc/37/83/76/196378376.db2.gz ABEVULGOYFKQBK-GFCCVEGCSA-N 1 0 302.212 2.497 10 0 DEAERO CN(C)[C@@H](C[NH2+]CCNC(=O)OC(C)(C)C)c1cccs1 ZINC000134520659 196398663 /nfs/dbraw/zinc/39/86/63/196398663.db2.gz VEHNEBUARBPASY-LBPRGKRZSA-N 1 0 313.467 2.465 10 0 DEAERO O=C(NC1C[NH2+]C1)c1ccc2cc(Br)ccc2c1 ZINC000134985506 196437202 /nfs/dbraw/zinc/43/72/02/196437202.db2.gz NATDXMJQNOJGRH-UHFFFAOYSA-N 1 0 305.175 2.304 10 0 DEAERO Cc1ccnc2sc(C(=O)N(C)C3CC[NH2+]CC3)c(N)c21 ZINC000135270374 196458486 /nfs/dbraw/zinc/45/84/86/196458486.db2.gz NKXUBQXWXTXAAA-UHFFFAOYSA-N 1 0 304.419 2.011 10 0 DEAERO CC[C@H]([NH3+])CC(=O)NCc1cc(F)ccc1Br ZINC000135545940 196485547 /nfs/dbraw/zinc/48/55/47/196485547.db2.gz RYVSWYRJPQYCNG-JTQLQIEISA-N 1 0 303.175 2.332 10 0 DEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC2CCSCC2)cc1 ZINC000136452097 196537642 /nfs/dbraw/zinc/53/76/42/196537642.db2.gz QMQIBNUMABZKSC-LLVKDONJSA-N 1 0 314.476 2.141 10 0 DEAERO CCOC(=O)[C@@H]1CCCc2sc(N[C@@H]3CC[N@H+](C)C3)nc21 ZINC000136700904 196547982 /nfs/dbraw/zinc/54/79/82/196547982.db2.gz MRORYKBKKKJZQY-GHMZBOCLSA-N 1 0 309.435 2.242 10 0 DEAERO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000571762016 292571172 /nfs/dbraw/zinc/57/11/72/292571172.db2.gz WWBLIAKKXFDGCZ-MRXNPFEDSA-N 1 0 318.446 2.340 10 0 DEAERO Cc1cc(C)c(OCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000195309350 225202749 /nfs/dbraw/zinc/20/27/49/225202749.db2.gz HGIKPJYBXAYJJJ-MRXNPFEDSA-N 1 0 302.418 2.297 10 0 DEAERO CCc1nn(C)cc1C[NH2+][C@H]1CCCO[C@@H]1c1ccncc1 ZINC000299741544 229376110 /nfs/dbraw/zinc/37/61/10/229376110.db2.gz GFDHYYVLNIHJAM-DLBZAZTESA-N 1 0 300.406 2.387 10 0 DEAERO COC[C@@H](C)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000037847521 424808354 /nfs/dbraw/zinc/80/83/54/424808354.db2.gz DGXFVRJDZXZCDY-NXEZZACHSA-N 1 0 308.205 2.358 10 0 DEAERO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886034 424849273 /nfs/dbraw/zinc/84/92/73/424849273.db2.gz UYWDLFSEGQVUPD-OAHLLOKOSA-N 1 0 318.465 2.433 10 0 DEAERO CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886480 424849497 /nfs/dbraw/zinc/84/94/97/424849497.db2.gz TUEXWPWSBRBWPC-KRWDZBQOSA-N 1 0 318.465 2.386 10 0 DEAERO CC1(C)C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@]2(CCOC2)O1 ZINC000361528220 424844979 /nfs/dbraw/zinc/84/49/79/424844979.db2.gz VKTPGIFCQMORPF-HKUYNNGSSA-N 1 0 319.445 2.250 10 0 DEAERO COc1cc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)ccc1O ZINC000193191776 424866877 /nfs/dbraw/zinc/86/68/77/424866877.db2.gz CMRPPYDFGPABJP-CQSZACIVSA-N 1 0 323.437 2.176 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000193807396 424871473 /nfs/dbraw/zinc/87/14/73/424871473.db2.gz ZKECOGIIOFWXLL-RDJZCZTQSA-N 1 0 307.482 2.194 10 0 DEAERO Cc1ncc(-c2noc([C@@H]3CCC[N@@H+]3C3CCCC3)n2)c(N)n1 ZINC000333158752 424919739 /nfs/dbraw/zinc/91/97/39/424919739.db2.gz HYHJRZOMIRHAIV-ZDUSSCGKSA-N 1 0 314.393 2.497 10 0 DEAERO C[C@@]1(CNc2cc(C#N)cnn2)CCC[N@@H+]1Cc1ccccc1 ZINC000398053106 424922800 /nfs/dbraw/zinc/92/28/00/424922800.db2.gz GTAVFDXBOOXPPD-SFHVURJKSA-N 1 0 307.401 2.815 10 0 DEAERO CC(C)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404151859 424925345 /nfs/dbraw/zinc/92/53/45/424925345.db2.gz QBZASLDSHIVVRU-SJORKVTESA-N 1 0 302.418 2.144 10 0 DEAERO O[C@]1(CC[NH2+]Cc2ccc(Br)cc2F)CCOC1 ZINC000404185708 424926241 /nfs/dbraw/zinc/92/62/41/424926241.db2.gz CWXZBZMMTDNFAV-CYBMUJFWSA-N 1 0 318.186 2.219 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000404631558 424928177 /nfs/dbraw/zinc/92/81/77/424928177.db2.gz GLZPCYQRICJHCO-UHFFFAOYSA-N 1 0 302.827 2.056 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2nscc2Br)C1 ZINC000404758179 424928994 /nfs/dbraw/zinc/92/89/94/424928994.db2.gz AXGWBVNZHCCPGK-HTQZYQBOSA-N 1 0 318.240 2.105 10 0 DEAERO C[C@H](CNC(=O)c1nscc1Br)[N@H+](C)C1CC1 ZINC000404875337 424929556 /nfs/dbraw/zinc/92/95/56/424929556.db2.gz WHILBNYMFVRTSO-SSDOTTSWSA-N 1 0 318.240 2.118 10 0 DEAERO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1nscc1Br ZINC000404958995 424930939 /nfs/dbraw/zinc/93/09/39/424930939.db2.gz UGPOQSXDAIANFF-MRVPVSSYSA-N 1 0 318.240 2.024 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@@](C)(O)C2CC2)C1 ZINC000309809540 424894226 /nfs/dbraw/zinc/89/42/26/424894226.db2.gz VYPGPPXFHBINKL-CXAGYDPISA-N 1 0 312.454 2.384 10 0 DEAERO C[C@@]1(CNc2ccc3nncn3n2)CCC[N@@H+]1Cc1ccccc1 ZINC000564531354 424902150 /nfs/dbraw/zinc/90/21/50/424902150.db2.gz GEUBKTLNFPWAEK-SFHVURJKSA-N 1 0 322.416 2.591 10 0 DEAERO c1ccc(-c2cncnc2NCCCC[NH+]2CCOCC2)cc1 ZINC000432171554 425015501 /nfs/dbraw/zinc/01/55/01/425015501.db2.gz FGFXWSIELKZRTF-UHFFFAOYSA-N 1 0 312.417 2.668 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(C)cc2)[C@H](C)C1 ZINC000081096848 267377690 /nfs/dbraw/zinc/37/76/90/267377690.db2.gz AODWAGPORBKMMD-AEFFLSMTSA-N 1 0 317.477 2.273 10 0 DEAERO CCc1nc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cs1 ZINC000085403434 267387996 /nfs/dbraw/zinc/38/79/96/267387996.db2.gz ZMQAXXMTCJKVHW-AAEUAGOBSA-N 1 0 310.467 2.187 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2sccc2Br)CC1=O ZINC000657694328 425387617 /nfs/dbraw/zinc/38/76/17/425387617.db2.gz CYIOPUINVRWGRH-MRVPVSSYSA-N 1 0 303.225 2.079 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1OC ZINC000125754499 267429171 /nfs/dbraw/zinc/42/91/71/267429171.db2.gz NGIUHTDSFQSFAT-DYVFJYSZSA-N 1 0 309.406 2.144 10 0 DEAERO Cc1ccc(SCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000662976380 425770521 /nfs/dbraw/zinc/77/05/21/425770521.db2.gz OWPRYIDDYUTABX-NSHDSACASA-N 1 0 306.353 2.435 10 0 DEAERO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCOC[C@@H]2C)c1 ZINC000195447253 268571070 /nfs/dbraw/zinc/57/10/70/268571070.db2.gz DLUBAKQGPDRBTH-YOEHRIQHSA-N 1 0 304.434 2.427 10 0 DEAERO COc1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1SC ZINC000333307534 268923813 /nfs/dbraw/zinc/92/38/13/268923813.db2.gz LDSHJJUKJCVFKL-RYUDHWBXSA-N 1 0 321.446 2.490 10 0 DEAERO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333660771 268972497 /nfs/dbraw/zinc/97/24/97/268972497.db2.gz BAZOMRWOLZRFTJ-PSTGCABASA-N 1 0 315.396 2.430 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@H]2CCC[NH2+][C@H]2C)no1 ZINC000333898252 269002310 /nfs/dbraw/zinc/00/23/10/269002310.db2.gz ZJNBLZOENLAIKA-AVGNSLFASA-N 1 0 321.425 2.180 10 0 DEAERO C[C@@]1(F)C[NH2+]CCN(c2cncc(OCC3CCCC3)n2)C1 ZINC000333919045 269004178 /nfs/dbraw/zinc/00/41/78/269004178.db2.gz OSHNRIBSWKQCMJ-MRXNPFEDSA-N 1 0 308.401 2.183 10 0 DEAERO C[C@@]1(F)C[NH2+]CCN(c2cncc(OC3CCCCC3)n2)C1 ZINC000333918908 269004365 /nfs/dbraw/zinc/00/43/65/269004365.db2.gz ONBYOYQUHXFECD-MRXNPFEDSA-N 1 0 308.401 2.326 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)C1 ZINC000334110198 269019740 /nfs/dbraw/zinc/01/97/40/269019740.db2.gz BDAOKGJBHDMDPI-STQMWFEESA-N 1 0 321.425 2.134 10 0 DEAERO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1csnn1 ZINC000334119642 269021778 /nfs/dbraw/zinc/02/17/78/269021778.db2.gz KFEPXNKOOPXDGH-OLZOCXBDSA-N 1 0 323.466 2.259 10 0 DEAERO CN(C(=O)c1coc(Br)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000347910720 269030430 /nfs/dbraw/zinc/03/04/30/269030430.db2.gz DEXAYXVZPIJRMQ-NSHDSACASA-N 1 0 313.195 2.208 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)c(F)c2)C1 ZINC000390009079 269097459 /nfs/dbraw/zinc/09/74/59/269097459.db2.gz SFBCSGLDJKNIOI-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]CC(C)(C)C(C)(C)O ZINC000393584895 269099964 /nfs/dbraw/zinc/09/99/64/269099964.db2.gz IWEBPTDDGDIXPX-UHFFFAOYSA-N 1 0 304.232 2.069 10 0 DEAERO CC(C)[C@@H](CO)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000394045753 269100669 /nfs/dbraw/zinc/10/06/69/269100669.db2.gz JASCVCIDXLBMBV-LSDHHAIUSA-N 1 0 314.470 2.488 10 0 DEAERO Cc1oc(Br)cc1C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000396656764 269103535 /nfs/dbraw/zinc/10/35/35/269103535.db2.gz QOIUVCQCLHMYAJ-JTQLQIEISA-N 1 0 315.211 2.374 10 0 DEAERO CC(=O)N(c1nc(C[NH2+][C@H]2CCOC[C@@H]2C)cs1)C1CC1 ZINC000432345279 269135158 /nfs/dbraw/zinc/13/51/58/269135158.db2.gz FAVFESZOITVOIA-HZMBPMFUSA-N 1 0 309.435 2.173 10 0 DEAERO C[C@H]([NH2+][C@H](CO)CC(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496970467 269272290 /nfs/dbraw/zinc/27/22/90/269272290.db2.gz XDBYNWHBJZKBJU-TUAOUCFPSA-N 1 0 322.396 2.238 10 0 DEAERO c1c2cccnc2oc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000516241753 269360857 /nfs/dbraw/zinc/36/08/57/269360857.db2.gz RXLVXRTZSZLQGO-UHFFFAOYSA-N 1 0 300.387 2.462 10 0 DEAERO CC(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000516779377 269369381 /nfs/dbraw/zinc/36/93/81/269369381.db2.gz XOYRMLBPAIKRLJ-UHFFFAOYSA-N 1 0 315.421 2.479 10 0 DEAERO COC1CC[NH+](C2(CNC(=O)NC[C@@H]3C[C@H]3C)CCCC2)CC1 ZINC000519380311 269413764 /nfs/dbraw/zinc/41/37/64/269413764.db2.gz LPQPLPFSFAUKEH-CABCVRRESA-N 1 0 323.481 2.365 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1COc2ccccc21 ZINC000195196816 273515856 /nfs/dbraw/zinc/51/58/56/273515856.db2.gz NHBLXJNNXHHRDE-ZFWWWQNUSA-N 1 0 305.422 2.396 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000194111104 273640158 /nfs/dbraw/zinc/64/01/58/273640158.db2.gz MDEWWGIPUCNNBQ-LBPRGKRZSA-N 1 0 318.421 2.057 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000247181573 274028262 /nfs/dbraw/zinc/02/82/62/274028262.db2.gz ZCWHNYZRYXCHGB-YJBOKZPZSA-N 1 0 304.434 2.383 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1nc2cccnc2s1 ZINC000248733640 274375604 /nfs/dbraw/zinc/37/56/04/274375604.db2.gz MEXURVAJMKGKDQ-MNOVXSKESA-N 1 0 302.403 2.000 10 0 DEAERO c1[nH]nc2cc(C[NH2+][C@H]3CCCN(c4cccnn4)C3)ccc12 ZINC000105904885 275075332 /nfs/dbraw/zinc/07/53/32/275075332.db2.gz CFPYFWHPRXONPP-HNNXBMFYSA-N 1 0 308.389 2.112 10 0 DEAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000246944980 275650612 /nfs/dbraw/zinc/65/06/12/275650612.db2.gz HXEZMZLVPYHCEJ-GRDNDAEWSA-N 1 0 324.490 2.469 10 0 DEAERO CC(C)(C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1O ZINC000285774556 275837373 /nfs/dbraw/zinc/83/73/73/275837373.db2.gz WJMTZKHUGREKIP-CABCVRRESA-N 1 0 301.390 2.203 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000176999312 276180673 /nfs/dbraw/zinc/18/06/73/276180673.db2.gz DIOKHSLEQYZGPH-ZWKOTPCHSA-N 1 0 317.477 2.102 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)C1(C)C ZINC000172553692 276346426 /nfs/dbraw/zinc/34/64/26/276346426.db2.gz BWLGPRYSSQOEIE-RBSFLKMASA-N 1 0 304.438 2.239 10 0 DEAERO CCOc1ccc(OCC[N@@H+]2CCCC[C@@]2(C)C(N)=O)cc1 ZINC000185918638 276375446 /nfs/dbraw/zinc/37/54/46/276375446.db2.gz UUUGYNHKMTYZFE-KRWDZBQOSA-N 1 0 306.406 2.194 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000171582820 276868033 /nfs/dbraw/zinc/86/80/33/276868033.db2.gz GKXPWZUXYFRYJX-ZFWWWQNUSA-N 1 0 303.406 2.246 10 0 DEAERO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C[C@@H]1CCC[NH2+]C1 ZINC000262041726 277103904 /nfs/dbraw/zinc/10/39/04/277103904.db2.gz YINAKZVMODDSIK-OIISXLGYSA-N 1 0 308.466 2.430 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2COc3ccccc32)C1 ZINC000247022221 277157553 /nfs/dbraw/zinc/15/75/53/277157553.db2.gz ZMXVQQKWPKHRFG-VNQPRFMTSA-N 1 0 300.402 2.105 10 0 DEAERO COC(C)(C)C[C@@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000487311853 277177489 /nfs/dbraw/zinc/17/74/89/277177489.db2.gz QKAMPZNKXZNSME-SECBINFHSA-N 1 0 304.232 2.476 10 0 DEAERO CO[C@H]1CCN(C(=O)c2cccc(Cl)c2F)[C@@H](C[NH3+])C1 ZINC000167229008 277339993 /nfs/dbraw/zinc/33/99/93/277339993.db2.gz UMBYGDPHNUUYBT-ZJUUUORDSA-N 1 0 300.761 2.057 10 0 DEAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@@H]1C ZINC000093696207 277730315 /nfs/dbraw/zinc/73/03/15/277730315.db2.gz UONBOJKILOXYTB-KBXIAJHMSA-N 1 0 302.484 2.072 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453056623 278041108 /nfs/dbraw/zinc/04/11/08/278041108.db2.gz GNDFXYJXIOWSSM-CJNGLKHVSA-N 1 0 321.490 2.440 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000094635820 278116545 /nfs/dbraw/zinc/11/65/45/278116545.db2.gz OAQWJVWYPBIUCP-UMVBOHGHSA-N 1 0 309.431 2.456 10 0 DEAERO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346508 278155193 /nfs/dbraw/zinc/15/51/93/278155193.db2.gz ZYHOOUHVXDWADJ-INMHGKMJSA-N 1 0 307.482 2.240 10 0 DEAERO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCCO1 ZINC000246165507 278208640 /nfs/dbraw/zinc/20/86/40/278208640.db2.gz WMUCWQMLBFTMPX-SWLSCSKDSA-N 1 0 310.825 2.456 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412059679 278233274 /nfs/dbraw/zinc/23/32/74/278233274.db2.gz CWHAVBUSRAWIFF-PBHICJAKSA-N 1 0 313.438 2.160 10 0 DEAERO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(S(N)(=O)=O)cc1 ZINC000122067686 278262848 /nfs/dbraw/zinc/26/28/48/278262848.db2.gz XKYAMGUAXVSJDC-SMDDNHRTSA-N 1 0 314.476 2.270 10 0 DEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(F)cc1N(C)C ZINC000180594404 278284508 /nfs/dbraw/zinc/28/45/08/278284508.db2.gz GCCRCVNPHYUXEW-AAEUAGOBSA-N 1 0 303.385 2.149 10 0 DEAERO C[C@H](O)C1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000408127516 278286348 /nfs/dbraw/zinc/28/63/48/278286348.db2.gz DVDXHAQNYCDBEB-IWUURBKTSA-N 1 0 320.477 2.164 10 0 DEAERO CC(C)CCS(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107708155 278776777 /nfs/dbraw/zinc/77/67/77/278776777.db2.gz FASMFRQCKOCCLP-OAHLLOKOSA-N 1 0 302.484 2.313 10 0 DEAERO CC[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C[C@@H]1CCCO1 ZINC000246664111 279049857 /nfs/dbraw/zinc/04/98/57/279049857.db2.gz DTUQRJWQTHBFDB-OLZOCXBDSA-N 1 0 322.371 2.288 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246416196 279125783 /nfs/dbraw/zinc/12/57/83/279125783.db2.gz AGKHKUVDLRWLGU-ARFHVFGLSA-N 1 0 311.470 2.173 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1OCCc2ccccc21 ZINC000129603046 279131945 /nfs/dbraw/zinc/13/19/45/279131945.db2.gz ZVIXOEVIPKQABE-WBVHZDCISA-N 1 0 304.434 2.393 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(NC(C)=O)cc1 ZINC000048443864 279159004 /nfs/dbraw/zinc/15/90/04/279159004.db2.gz YXJFVCWCASPOIJ-CYBMUJFWSA-N 1 0 320.437 2.175 10 0 DEAERO Cc1nnc([C@H]2Cc3ccccc3CN2C[C@@]2(C)CC[NH2+]C2)o1 ZINC000261933917 279233052 /nfs/dbraw/zinc/23/30/52/279233052.db2.gz DALGHGCJMGENMM-AEFFLSMTSA-N 1 0 312.417 2.477 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc2c(s1)CCOC2 ZINC000261752988 279620559 /nfs/dbraw/zinc/62/05/59/279620559.db2.gz FHLXKKVLJOEVLC-MTICYGMRSA-N 1 0 320.458 2.457 10 0 DEAERO Cc1c(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)oc2c1C(=O)CCC2 ZINC000261779755 280210002 /nfs/dbraw/zinc/21/00/02/280210002.db2.gz GAPSWHRQQVVJNM-ZDUSSCGKSA-N 1 0 304.390 2.306 10 0 DEAERO Cc1c(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)cnn1C ZINC000162867644 280227782 /nfs/dbraw/zinc/22/77/82/280227782.db2.gz AANCFGZDSANDSV-CQSZACIVSA-N 1 0 308.426 2.121 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235638938 280233924 /nfs/dbraw/zinc/23/39/24/280233924.db2.gz WISQLBBPNURCQF-CMPLNLGQSA-N 1 0 316.854 2.396 10 0 DEAERO OC[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccnc1 ZINC000329474780 280410395 /nfs/dbraw/zinc/41/03/95/280410395.db2.gz OVNHICVIBMRJKR-QBPKDAKJSA-N 1 0 302.418 2.095 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000261608422 280516526 /nfs/dbraw/zinc/51/65/26/280516526.db2.gz DLHXLAJBTAUSOF-QMTHXVAHSA-N 1 0 314.426 2.190 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCC(=O)N(CC)CC ZINC000247055480 288315213 /nfs/dbraw/zinc/31/52/13/288315213.db2.gz WTFAGGYPHZLFAJ-HOTGVXAUSA-N 1 0 323.481 2.110 10 0 DEAERO C[NH+](C)C1(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CCCC1 ZINC000408345226 289048750 /nfs/dbraw/zinc/04/87/50/289048750.db2.gz IDKYPQXPYLCNTF-QAPCUYQASA-N 1 0 323.481 2.197 10 0 DEAERO C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000078434830 289868417 /nfs/dbraw/zinc/86/84/17/289868417.db2.gz TWPXMWJWRXQPKD-BPUTZDHNSA-N 1 0 305.422 2.156 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(O)cc2)[C@@H]1c1ccccc1 ZINC000180129846 290134506 /nfs/dbraw/zinc/13/45/06/290134506.db2.gz ITGDFWKFMWBRHZ-MJGOQNOKSA-N 1 0 310.397 2.496 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000407994712 290382988 /nfs/dbraw/zinc/38/29/88/290382988.db2.gz CHMFIXAWAXDRDG-UONOGXRCSA-N 1 0 305.426 2.123 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000186671813 300003853 /nfs/dbraw/zinc/00/38/53/300003853.db2.gz KJSSZHHEZJHQKN-SMDDNHRTSA-N 1 0 304.438 2.243 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000120257456 301253334 /nfs/dbraw/zinc/25/33/34/301253334.db2.gz MBRKGYSREXVDFV-NVXWUHKLSA-N 1 0 314.433 2.480 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c(C)s1 ZINC000070149427 301382029 /nfs/dbraw/zinc/38/20/29/301382029.db2.gz IKGGWZIXRBTTGR-LBPRGKRZSA-N 1 0 302.465 2.257 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c(Cl)cc1F ZINC000193399918 301399424 /nfs/dbraw/zinc/39/94/24/301399424.db2.gz XTEAGIINMUMSMZ-PRHODGIISA-N 1 0 320.817 2.064 10 0 DEAERO Cc1ccc(N(C)C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000262549308 301619653 /nfs/dbraw/zinc/61/96/53/301619653.db2.gz SCPCUPDXQQPULI-RVKKMQEKSA-N 1 0 302.418 2.490 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CCCC[C@H]2C)CC(=O)N1C ZINC000330182272 302780665 /nfs/dbraw/zinc/78/06/65/302780665.db2.gz HEGRQISAUVGIDO-XKLVTHTNSA-N 1 0 318.465 2.477 10 0 DEAERO O=C(NCC1C[NH2+]C1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000261924679 303763238 /nfs/dbraw/zinc/76/32/38/303763238.db2.gz ASURDMULYDOFCQ-IBGZPJMESA-N 1 0 321.424 2.126 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCOC3(CCCCC3)C2)CC1 ZINC000573378953 326051018 /nfs/dbraw/zinc/05/10/18/326051018.db2.gz FYUDXHDEXGMYQH-UHFFFAOYSA-N 1 0 321.465 2.383 10 0 DEAERO COC[C@H](C)C[NH2+][C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000188080684 333026307 /nfs/dbraw/zinc/02/63/07/333026307.db2.gz VCFVCHICBIAWGE-ZIAGYGMSSA-N 1 0 308.422 2.155 10 0 DEAERO CCOc1ccccc1C(=O)N1CC[NH+](C[C@@H](C)COC)CC1 ZINC000189648060 333201533 /nfs/dbraw/zinc/20/15/33/333201533.db2.gz XKUKKDXNGAIHRR-OAHLLOKOSA-N 1 0 320.433 2.126 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000189958714 335754674 /nfs/dbraw/zinc/75/46/74/335754674.db2.gz YPASLEHCGXPLRL-ZIAGYGMSSA-N 1 0 322.453 2.427 10 0 DEAERO C/C=C\c1ccc(OCC(=O)NCC2=CC[NH2+]CC2)c(OC)c1 ZINC000582601259 337111982 /nfs/dbraw/zinc/11/19/82/337111982.db2.gz XXAZZUQRFWJKOT-ARJAWSKDSA-N 1 0 316.401 2.143 10 0 DEAERO CCOC[C@@H](O)C[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000398045860 337304975 /nfs/dbraw/zinc/30/49/75/337304975.db2.gz BQECGONGEKTQDJ-ROUUACIJSA-N 1 0 306.450 2.028 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398165852 337307806 /nfs/dbraw/zinc/30/78/06/337307806.db2.gz TXILHSUGYPGJMN-CGTJXYLNSA-N 1 0 306.450 2.025 10 0 DEAERO CCCOc1nc(C)ccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000191090196 337399512 /nfs/dbraw/zinc/39/95/12/337399512.db2.gz YBYDWFZWOKIYOP-OAHLLOKOSA-N 1 0 317.433 2.489 10 0 DEAERO CC(=O)c1ccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000580536567 341800713 /nfs/dbraw/zinc/80/07/13/341800713.db2.gz WHQRFAZBWYKAGF-QGZVFWFLSA-N 1 0 301.390 2.497 10 0 DEAERO c1c(-c2nc(CCc3ccccc3)no2)nnn1[C@H]1CCC[NH2+]C1 ZINC000580551802 341875722 /nfs/dbraw/zinc/87/57/22/341875722.db2.gz JUIWFQWCQRYONX-AWEZNQCLSA-N 1 0 324.388 2.038 10 0 DEAERO C[C@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)CN1CCOCC1 ZINC000178524001 341957253 /nfs/dbraw/zinc/95/72/53/341957253.db2.gz ABVZKJYJIHJDRM-HLFMIMNKSA-N 1 0 324.490 2.043 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000190957310 533872636 /nfs/dbraw/zinc/87/26/36/533872636.db2.gz ANJIPJOSQHDHJO-PMPSAXMXSA-N 1 0 311.470 2.101 10 0 DEAERO C[C@H]1COCC[C@@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000193989688 534032082 /nfs/dbraw/zinc/03/20/82/534032082.db2.gz FLCWRSQHHRGETE-YJBOKZPZSA-N 1 0 316.445 2.224 10 0 DEAERO CCOc1ccc(C[NH2+]CCCN2CCCC2=O)cc1OC ZINC000013727724 517729220 /nfs/dbraw/zinc/72/92/20/517729220.db2.gz YCUYOANEUWODGR-UHFFFAOYSA-N 1 0 306.406 2.196 10 0 DEAERO CC(C)(O)C[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000105903490 519356825 /nfs/dbraw/zinc/35/68/25/519356825.db2.gz FKTXZEBEBONVLH-UHFFFAOYSA-N 1 0 315.417 2.230 10 0 DEAERO CC(=O)CCN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000372324273 519413772 /nfs/dbraw/zinc/41/37/72/519413772.db2.gz JFFWFWORQUOEGT-KRWDZBQOSA-N 1 0 302.418 2.336 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000365973831 519451734 /nfs/dbraw/zinc/45/17/34/519451734.db2.gz FPGXYZIYMDVQJD-RDJZCZTQSA-N 1 0 315.417 2.026 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)CSCc2ccncc2)[C@@H](C)C1 ZINC000158886021 519696200 /nfs/dbraw/zinc/69/62/00/519696200.db2.gz DYFWKYDBSNUBCQ-ZFWWWQNUSA-N 1 0 307.463 2.160 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2nnc(C(C)C)o2)C[C@@H]1CC ZINC000105838634 519923520 /nfs/dbraw/zinc/92/35/20/519923520.db2.gz HYHJSMGDEBMGLT-AWEZNQCLSA-N 1 0 310.442 2.126 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)[C@@]12CCCO2 ZINC000366009234 520366895 /nfs/dbraw/zinc/36/68/95/520366895.db2.gz LIVVYKSLSAEDSQ-ZACQAIPSSA-N 1 0 317.389 2.486 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccc(OCC2CC2)nc1)[NH+](C)C ZINC000161880522 520590093 /nfs/dbraw/zinc/59/00/93/520590093.db2.gz OLMPDMXZVTUTJV-HNNXBMFYSA-N 1 0 305.422 2.217 10 0 DEAERO CCC[C@H](C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1)[NH+](C)C ZINC000153482999 520972732 /nfs/dbraw/zinc/97/27/32/520972732.db2.gz LERCNROIMOJKPA-UKRRQHHQSA-N 1 0 319.453 2.049 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(CN2CCOCC2)cc1)[NH+](C)C ZINC000156946776 520987538 /nfs/dbraw/zinc/98/75/38/520987538.db2.gz OJXMTJNELFSLCJ-QGZVFWFLSA-N 1 0 319.449 2.188 10 0 DEAERO CCOc1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1F ZINC000106340225 520987813 /nfs/dbraw/zinc/98/78/13/520987813.db2.gz FUVOIRBOFJMJHU-CQSZACIVSA-N 1 0 323.412 2.460 10 0 DEAERO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000246221359 521364731 /nfs/dbraw/zinc/36/47/31/521364731.db2.gz DKXGRACBUQOOHA-HZPDHXFCSA-N 1 0 323.481 2.014 10 0 DEAERO C[NH2+]C1CCN(C(=O)C(C)(C)c2ccc(OC)c(OC)c2)CC1 ZINC000237060486 521947993 /nfs/dbraw/zinc/94/79/93/521947993.db2.gz LGOHWFUAFYKHGP-UHFFFAOYSA-N 1 0 320.433 2.192 10 0 DEAERO C[NH2+]C[C@@H](C)C(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000237154712 522024644 /nfs/dbraw/zinc/02/46/44/522024644.db2.gz MXNRBJOOUSPQGF-GFCCVEGCSA-N 1 0 306.406 2.050 10 0 DEAERO COC[C@@H](C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000163359740 522173803 /nfs/dbraw/zinc/17/38/03/522173803.db2.gz RMSRAGYHVRZXAT-QAPCUYQASA-N 1 0 304.434 2.440 10 0 DEAERO CCc1nc(CNC(=O)NC2CC[NH+](C(C)C)CC2)cs1 ZINC000107726390 522333318 /nfs/dbraw/zinc/33/33/18/522333318.db2.gz RNMRGFGUXSRVLI-UHFFFAOYSA-N 1 0 310.467 2.378 10 0 DEAERO CC(C)(C)N1C[C@@H](c2nc(-c3ccc(C[NH3+])cc3)no2)CC1=O ZINC000261960282 534672543 /nfs/dbraw/zinc/67/25/43/534672543.db2.gz HFLCDEUZQDUDLN-ZDUSSCGKSA-N 1 0 314.389 2.310 10 0 DEAERO COCc1cccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000157915920 523048808 /nfs/dbraw/zinc/04/88/08/523048808.db2.gz VLORRHBHXXAKTC-PBHICJAKSA-N 1 0 319.449 2.361 10 0 DEAERO O=C(C[C@@H]1CCCCC(=O)N1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000328682559 534685517 /nfs/dbraw/zinc/68/55/17/534685517.db2.gz VRMDDCIQMJFURA-LSDHHAIUSA-N 1 0 307.438 2.362 10 0 DEAERO CC[C@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCO1 ZINC000172077081 523235493 /nfs/dbraw/zinc/23/54/93/523235493.db2.gz UWGDLKVPUWLQSY-HNNXBMFYSA-N 1 0 323.412 2.208 10 0 DEAERO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000248956058 523718779 /nfs/dbraw/zinc/71/87/79/523718779.db2.gz AMKXEVPGGNDNJB-MLGOLLRUSA-N 1 0 304.390 2.276 10 0 DEAERO Cc1cccc(-c2n[nH]cc2CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000128153990 524103654 /nfs/dbraw/zinc/10/36/54/524103654.db2.gz HQMANQVAUNKNGD-QGZVFWFLSA-N 1 0 314.433 2.148 10 0 DEAERO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)s1 ZINC000179891879 524450071 /nfs/dbraw/zinc/45/00/71/524450071.db2.gz GXUXNWWZPOLKKB-AWEZNQCLSA-N 1 0 308.447 2.127 10 0 DEAERO Cn1cncc1[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000328626401 534814795 /nfs/dbraw/zinc/81/47/95/534814795.db2.gz FALYDPFDSJMGHD-DZGCQCFKSA-N 1 0 317.437 2.451 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000229381519 524939444 /nfs/dbraw/zinc/93/94/44/524939444.db2.gz KIIVPCGQZSPUSQ-UHFFFAOYSA-N 1 0 314.426 2.382 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc2c(c1)OCCO2 ZINC000364247669 525083030 /nfs/dbraw/zinc/08/30/30/525083030.db2.gz XYHDGICPLDPOOP-HIFRSBDPSA-N 1 0 316.401 2.157 10 0 DEAERO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C(N)=O ZINC000246821051 525171603 /nfs/dbraw/zinc/17/16/03/525171603.db2.gz XEXVHGQLWOIKRL-JSGCOSHPSA-N 1 0 318.421 2.040 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CCn2ccnc2)cc1NC(C)=O ZINC000155720407 525321548 /nfs/dbraw/zinc/32/15/48/525321548.db2.gz IDAVQRTWYJAHRX-LBPRGKRZSA-N 1 0 302.378 2.201 10 0 DEAERO C[C@@H](O)CC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000119062872 525771053 /nfs/dbraw/zinc/77/10/53/525771053.db2.gz KDHBMNKGTFUHPH-QWHCGFSZSA-N 1 0 312.841 2.438 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000262914479 534912078 /nfs/dbraw/zinc/91/20/78/534912078.db2.gz RBLCHSSKMRZHTL-OAHLLOKOSA-N 1 0 300.406 2.245 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246734802 534913420 /nfs/dbraw/zinc/91/34/20/534913420.db2.gz ASINWUJJVLCFAI-HUUCEWRRSA-N 1 0 321.469 2.067 10 0 DEAERO CC(C)(C)[NH2+]CCNC(=O)c1cnc(-c2ccncc2)s1 ZINC000174243356 526331309 /nfs/dbraw/zinc/33/13/09/526331309.db2.gz NBCIEIFKXALOLS-UHFFFAOYSA-N 1 0 304.419 2.323 10 0 DEAERO CC(=O)CCC(C)(C)C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443808922 526413290 /nfs/dbraw/zinc/41/32/90/526413290.db2.gz JTNPXVJOEHDTMJ-MRXNPFEDSA-N 1 0 324.465 2.095 10 0 DEAERO CC(C)(C)OC(=O)NC1CC[NH+](C[C@H](O)c2cccnc2)CC1 ZINC000295707244 526439094 /nfs/dbraw/zinc/43/90/94/526439094.db2.gz RAAJVIGYAVCPTB-HNNXBMFYSA-N 1 0 321.421 2.104 10 0 DEAERO Cc1noc(C)c1CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000107354752 526495637 /nfs/dbraw/zinc/49/56/37/526495637.db2.gz OMXCXFXVDUFGAT-KRWDZBQOSA-N 1 0 315.417 2.123 10 0 DEAERO COCCCN(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248733736 536493523 /nfs/dbraw/zinc/49/35/23/536493523.db2.gz DLFQDNJOBSXJRG-NVXWUHKLSA-N 1 0 319.449 2.185 10 0 DEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245972365 527187487 /nfs/dbraw/zinc/18/74/87/527187487.db2.gz ZZDWNYZLTYTCLZ-BYNSBNAKSA-N 1 0 302.422 2.359 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000238022820 527215717 /nfs/dbraw/zinc/21/57/17/527215717.db2.gz SAPGNRHBUXEHCY-SMDDNHRTSA-N 1 0 310.344 2.171 10 0 DEAERO O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246833779 527489307 /nfs/dbraw/zinc/48/93/07/527489307.db2.gz SQVHUISQDPGJSL-WCQGTBRESA-N 1 0 316.327 2.305 10 0 DEAERO Cn1cncc1C[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000111409904 527508381 /nfs/dbraw/zinc/50/83/81/527508381.db2.gz OMPJGHWIDVTOSY-UHFFFAOYSA-N 1 0 315.417 2.406 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000157618656 527585007 /nfs/dbraw/zinc/58/50/07/527585007.db2.gz FRJZWPDWQZBYJH-VXGBXAGGSA-N 1 0 315.483 2.278 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@H]1C1CCC1 ZINC000102903456 527651687 /nfs/dbraw/zinc/65/16/87/527651687.db2.gz ARQSCEYEXJGXBB-INIZCTEOSA-N 1 0 309.454 2.073 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000447989584 528113773 /nfs/dbraw/zinc/11/37/73/528113773.db2.gz PLJAGKPQCDEXNB-HNNXBMFYSA-N 1 0 309.454 2.095 10 0 DEAERO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCC(C)(C)O2)CC1 ZINC000188197532 528191077 /nfs/dbraw/zinc/19/10/77/528191077.db2.gz ZSSIUIWQXYJFJM-HNNXBMFYSA-N 1 0 311.470 2.460 10 0 DEAERO CC(C)Cn1ncc(NC(=O)NC[C@H]([NH3+])C2CC2)c1C(F)F ZINC000415359156 528751881 /nfs/dbraw/zinc/75/18/81/528751881.db2.gz JSFHJOYCPRCTRO-JTQLQIEISA-N 1 0 315.368 2.336 10 0 DEAERO CC1(C)CC[C@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)O1 ZINC000188215070 529041959 /nfs/dbraw/zinc/04/19/59/529041959.db2.gz VUYVBSLKBFDTNA-OAHLLOKOSA-N 1 0 309.454 2.214 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccn([C@@H](C)COC)n1 ZINC000189879317 529066854 /nfs/dbraw/zinc/06/68/54/529066854.db2.gz PJKKODIEZAMPIG-UONOGXRCSA-N 1 0 323.441 2.039 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000328913443 529091265 /nfs/dbraw/zinc/09/12/65/529091265.db2.gz PNIORELAZYBXBW-INIZCTEOSA-N 1 0 315.417 2.249 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)NCC[C@H](C)[NH3+])cc1 ZINC000262535128 535256248 /nfs/dbraw/zinc/25/62/48/535256248.db2.gz NKLIVKWZDBRELS-ZDUSSCGKSA-N 1 0 306.406 2.292 10 0 DEAERO CC1(C)CN(C(=O)Cc2ccc(-n3cccn3)cc2)CC[C@H]1[NH3+] ZINC000261797194 535335826 /nfs/dbraw/zinc/33/58/26/535335826.db2.gz IPXIJKDNVSWGAX-MRXNPFEDSA-N 1 0 312.417 2.001 10 0 DEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCC[N@H+](CC)C2)C12CCC2 ZINC000248043614 535391358 /nfs/dbraw/zinc/39/13/58/535391358.db2.gz ULBGJKLRDCPLHG-ARFHVFGLSA-N 1 0 323.481 2.460 10 0 DEAERO CCOCCC1(CNC(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000358191194 535474273 /nfs/dbraw/zinc/47/42/73/535474273.db2.gz OKVQCUCXPOTFLC-UHFFFAOYSA-N 1 0 309.454 2.144 10 0 DEAERO CCO[C@@H]1C[C@](O)(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1(C)C ZINC000189425513 535544536 /nfs/dbraw/zinc/54/45/36/535544536.db2.gz LOGGDBXYVSVVJH-KIBLCYBISA-N 1 0 311.466 2.346 10 0 DEAERO CCN(C(C)=O)c1nc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000246533206 535704417 /nfs/dbraw/zinc/70/44/17/535704417.db2.gz CIBKBBSWUXKRBY-WFASDCNBSA-N 1 0 324.494 2.430 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@H](C)c2cccc(F)c2)CC[N@@H+]1CCOC ZINC000246765132 535836838 /nfs/dbraw/zinc/83/68/38/535836838.db2.gz OZLOKTWGAHSKSL-RHSMWYFYSA-N 1 0 322.424 2.498 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2cccn2Cc2cccs2)CCO1 ZINC000128205291 535970069 /nfs/dbraw/zinc/97/00/69/535970069.db2.gz YBSPAQNNMPARTH-INIZCTEOSA-N 1 0 319.474 2.360 10 0 DEAERO CCc1c(C(=O)N2CC[NH+]3CCC2CC3)cnn1-c1ccccc1 ZINC000188842325 536035258 /nfs/dbraw/zinc/03/52/58/536035258.db2.gz ZNAMMKPSWWRLLR-UHFFFAOYSA-N 1 0 324.428 2.355 10 0 DEAERO CN(c1cccnn1)C1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000191334016 536299825 /nfs/dbraw/zinc/29/98/25/536299825.db2.gz HKOHSZZQIKCKLU-KRWDZBQOSA-N 1 0 318.465 2.318 10 0 DEAERO C[NH+]1CCC(CNC(=O)NCCCc2cccc(F)c2)CC1 ZINC000069441097 536339271 /nfs/dbraw/zinc/33/92/71/536339271.db2.gz HDHFTFMQWCEXAT-UHFFFAOYSA-N 1 0 307.413 2.399 10 0 DEAERO CNC(=O)c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000247966322 536423926 /nfs/dbraw/zinc/42/39/26/536423926.db2.gz GVRPPDRGYPHNAR-FUHWJXTLSA-N 1 0 302.418 2.173 10 0 DEAERO COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc2c1OCO2 ZINC000262379628 536746440 /nfs/dbraw/zinc/74/64/40/536746440.db2.gz YOPUKTSRMAIDAX-PBWFPOADSA-N 1 0 304.390 2.139 10 0 DEAERO COC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000458247539 536868397 /nfs/dbraw/zinc/86/83/97/536868397.db2.gz XPSMDMGDAPSMOC-SJORKVTESA-N 1 0 319.449 2.498 10 0 DEAERO Cn1cc(CC(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000183174726 625295190 /nfs/dbraw/zinc/29/51/90/625295190.db2.gz OJPAWAUUPJIVFA-QGZVFWFLSA-N 1 0 313.401 2.170 10 0 DEAERO CC(C)N(Cc1cccs1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000049645234 622716411 /nfs/dbraw/zinc/71/64/11/622716411.db2.gz YQDUITBCESIERA-ZDUSSCGKSA-N 1 0 302.465 2.040 10 0 DEAERO C/C(=C/c1ccc(F)cc1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000255652394 625597393 /nfs/dbraw/zinc/59/73/93/625597393.db2.gz OVRRSDGJDGAXRJ-DDKJEQMHSA-N 1 0 306.381 2.018 10 0 DEAERO CCC[C@@H](C(=O)NCc1cc2c(cc1OC)C[C@H](C)O2)[NH+](C)C ZINC000162666141 625600587 /nfs/dbraw/zinc/60/05/87/625600587.db2.gz DPIDHMHXLREZIR-WFASDCNBSA-N 1 0 320.433 2.365 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cn1cnc2cc(F)c(F)cc21 ZINC000246895234 622867768 /nfs/dbraw/zinc/86/77/68/622867768.db2.gz BVOBTBRCBMQGPN-NEPJUHHUSA-N 1 0 306.360 2.441 10 0 DEAERO CC(C)(C)OC(=O)CCc1nc(C2([NH3+])CCSCC2)no1 ZINC000757183678 623230972 /nfs/dbraw/zinc/23/09/72/623230972.db2.gz RXSDICBPURZPLA-UHFFFAOYSA-N 1 0 313.423 2.025 10 0 DEAERO CCn1c(=S)n(CN2CC[N@@H+]3CCC[C@H]3C2)nc1C1CC1 ZINC000247203938 623284680 /nfs/dbraw/zinc/28/46/80/623284680.db2.gz WIANSXPFCUZIIP-ZDUSSCGKSA-N 1 0 307.467 2.049 10 0 DEAERO [NH3+]C[C@@H]1CCCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000044559622 624871077 /nfs/dbraw/zinc/87/10/77/624871077.db2.gz NBIXQXVRJDJHPK-NSHDSACASA-N 1 0 322.352 2.298 10 0 DEAERO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cccc2ncccc21 ZINC000236724968 625093034 /nfs/dbraw/zinc/09/30/34/625093034.db2.gz NVJBPUZQOYJKQE-INIZCTEOSA-N 1 0 321.446 2.277 10 0 DEAERO COc1ccc(NC(=[NH2+])NCCCc2c(C)nn(C)c2C)cc1 ZINC000091537526 625098985 /nfs/dbraw/zinc/09/89/85/625098985.db2.gz IHWNBMNOBNQYMV-UHFFFAOYSA-N 1 0 315.421 2.405 10 0 DEAERO CCCOc1ccc(NC(=O)[C@@H]([NH3+])CCOC)cc1Cl ZINC000052808159 625105961 /nfs/dbraw/zinc/10/59/61/625105961.db2.gz ONSMTVGIPGUDEY-LBPRGKRZSA-N 1 0 300.786 2.431 10 0 DEAERO CN(Cc1cnc(N)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309877309 625184367 /nfs/dbraw/zinc/18/43/67/625184367.db2.gz UOQMVAGDJVYUAH-UHFFFAOYSA-N 1 0 311.433 2.155 10 0 DEAERO CC(C)(C[NH+]1CCCC1)NCc1nc(Br)c[nH]1 ZINC000308612222 625778683 /nfs/dbraw/zinc/77/86/83/625778683.db2.gz BOFVTHBKGDGVDQ-UHFFFAOYSA-N 1 0 301.232 2.136 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000177163460 625867591 /nfs/dbraw/zinc/86/75/91/625867591.db2.gz WBQCGCGVRWFCQT-CRAIPNDOSA-N 1 0 323.481 2.171 10 0 DEAERO CCCCO[C@H]1C[C@@H]([N@H+](C)CN2CCOC2=S)C1(C)C ZINC000083114774 632945292 /nfs/dbraw/zinc/94/52/92/632945292.db2.gz GFZKUNPVNXTJOE-OLZOCXBDSA-N 1 0 300.468 2.477 10 0 DEAERO Cc1nc2c(nccc2C(=O)NCC[N@@H+](C)C2CCCCC2)[nH]1 ZINC000333223873 633406183 /nfs/dbraw/zinc/40/61/83/633406183.db2.gz FGXHMVYAHOTMOS-UHFFFAOYSA-N 1 0 315.421 2.261 10 0 DEAERO CC1(C)COC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000313020174 633433570 /nfs/dbraw/zinc/43/35/70/633433570.db2.gz DALMVXVAKZLBJB-NSHDSACASA-N 1 0 302.216 2.050 10 0 DEAERO COc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000178419257 633731127 /nfs/dbraw/zinc/73/11/27/633731127.db2.gz WQOLEMBIZWKFCQ-VNQPRFMTSA-N 1 0 320.433 2.143 10 0 DEAERO CC1=CC[C@H]([NH2+]C[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC000888102709 635563332 /nfs/dbraw/zinc/56/33/32/635563332.db2.gz HWHXIVKTFYOUGT-HFTRVMKXSA-N 1 0 316.449 2.418 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CC2CCC3(CC2)OCCO3)C1 ZINC000248818171 636218535 /nfs/dbraw/zinc/21/85/35/636218535.db2.gz ZBBRKXWAKDLCFH-GOEBONIOSA-N 1 0 324.465 2.155 10 0 DEAERO C[NH2+]CCC1CCN(C(=O)[C@@H](C)Oc2ccc(OC)cc2)CC1 ZINC000262015758 637013589 /nfs/dbraw/zinc/01/35/89/637013589.db2.gz IBTFBWYOLKLZPA-CQSZACIVSA-N 1 0 320.433 2.311 10 0 DEAERO C[C@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)[C@H]1CO ZINC000299989302 637279740 /nfs/dbraw/zinc/27/97/40/637279740.db2.gz YNNZIBBKROYEAH-RYUDHWBXSA-N 1 0 307.419 2.433 10 0 DEAERO CC(C)(C)n1cc(CN2CC[NH+](CC[C@H]3CCCO3)CC2)cn1 ZINC000189191396 637353185 /nfs/dbraw/zinc/35/31/85/637353185.db2.gz UKILIRBYDVVXSH-QGZVFWFLSA-N 1 0 320.481 2.325 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)nc(N(C)C)c2)C1 ZINC000742909976 638104182 /nfs/dbraw/zinc/10/41/82/638104182.db2.gz BMDOZKIARRFTKR-LBPRGKRZSA-N 1 0 324.856 2.215 10 0 DEAERO COC(=O)/C(C)=C\C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000748818221 638594549 /nfs/dbraw/zinc/59/45/49/638594549.db2.gz SDLXKKGCSCYGNJ-OOXMNIKJSA-N 1 0 303.402 2.478 10 0 DEAERO O=C(C[C@H]1COCC[NH2+]1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000262357091 639005723 /nfs/dbraw/zinc/00/57/23/639005723.db2.gz GVXJTWOGFIYLEU-HOTGVXAUSA-N 1 0 306.381 2.258 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1nnc2n1CCCCC2 ZINC000262994401 639967530 /nfs/dbraw/zinc/96/75/30/639967530.db2.gz ODBJTSHWEHRKOZ-IIYDPXPESA-N 1 0 319.453 2.089 10 0 DEAERO COCC[N@H+](CC(C)C)Cn1cnc2c1ncnc2NC(C)C ZINC000104652757 650661334 /nfs/dbraw/zinc/66/13/34/650661334.db2.gz CYWRTEFLVZTNID-UHFFFAOYSA-N 1 0 320.441 2.209 10 0 DEAERO [NH3+][C@@H]1CCO[C@H]1c1cncc(-c2ccc([C@H]3CCC(=O)N3)cc2)c1 ZINC000906205322 644165534 /nfs/dbraw/zinc/16/55/34/644165534.db2.gz MMWPKCXJHUUVKZ-LMMKCTJWSA-N 1 0 323.396 2.488 10 0 DEAERO C[N@H+]1CC=C(CNC(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000800737805 645300962 /nfs/dbraw/zinc/30/09/62/645300962.db2.gz NSVFTZJQOTUMLK-MRXNPFEDSA-N 1 0 319.836 2.368 10 0 DEAERO CC[NH+](CC)Cc1ccc(C(=O)N2CCO[C@@H](C(F)F)C2)o1 ZINC000801008344 645329050 /nfs/dbraw/zinc/32/90/50/645329050.db2.gz NFPQRJHFLDFOOA-CYBMUJFWSA-N 1 0 316.348 2.228 10 0 DEAERO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCO[C@H](C(F)F)C1 ZINC000801420874 645394163 /nfs/dbraw/zinc/39/41/63/645394163.db2.gz YXVJRUVCZALNOW-JSGCOSHPSA-N 1 0 316.392 2.134 10 0 DEAERO CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000802318008 645516844 /nfs/dbraw/zinc/51/68/44/645516844.db2.gz LWVQFJGEFUSFQE-CZUORRHYSA-N 1 0 315.417 2.085 10 0 DEAERO CC(C)[C@@H](C(=O)OCc1noc(-c2ccccc2O)n1)[NH+](C)C ZINC000803495523 645662260 /nfs/dbraw/zinc/66/22/60/645662260.db2.gz QAERTAKMKUFEFU-AWEZNQCLSA-N 1 0 319.361 2.072 10 0 DEAERO CC(=O)OCC(C)(C)CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000804524191 645785495 /nfs/dbraw/zinc/78/54/95/645785495.db2.gz MJLYTBMUOPZRCH-UKRRQHHQSA-N 1 0 310.438 2.051 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cn1)c1ccsc1 ZINC000806430105 645830267 /nfs/dbraw/zinc/83/02/67/645830267.db2.gz GIYRTZIKJWDGDQ-AWEZNQCLSA-N 1 0 307.394 2.244 10 0 DEAERO CC(=O)Nc1ccc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000757185425 645938048 /nfs/dbraw/zinc/93/80/48/645938048.db2.gz UQCOSNLSSMSLCF-HUUCEWRRSA-N 1 0 304.390 2.290 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(Br)nc2)C1 ZINC000166791712 646536149 /nfs/dbraw/zinc/53/61/49/646536149.db2.gz KSMROCNKCMQTRF-SNVBAGLBSA-N 1 0 313.199 2.012 10 0 DEAERO Cc1noc(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000229090082 646666762 /nfs/dbraw/zinc/66/67/62/646666762.db2.gz DPIMSPOWRCKNRT-NWDGAFQWSA-N 1 0 310.398 2.161 10 0 DEAERO CC(C)Cc1nnc(NC(=O)c2csc([C@H](C)N)n2)s1 ZINC000230295675 646726466 /nfs/dbraw/zinc/72/64/66/646726466.db2.gz ZNOZWUROCSQJDF-ZETCQYMHSA-N 1 0 311.436 2.465 10 0 DEAERO Cn1c2ccccc2n(CN2CC[N@@H+]3CCC[C@@H]3C2)c1=S ZINC000172502956 646740302 /nfs/dbraw/zinc/74/03/02/646740302.db2.gz COLLXVPMSKPMJW-CYBMUJFWSA-N 1 0 302.447 2.447 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@H]2CC[C@@H](O)C2)C1 ZINC000232499062 646811848 /nfs/dbraw/zinc/81/18/48/646811848.db2.gz MABCVVFJMWFXAG-RRFJBIMHSA-N 1 0 312.454 2.384 10 0 DEAERO COc1ccc(OCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000151804992 647021028 /nfs/dbraw/zinc/02/10/28/647021028.db2.gz JDDLMWJFOFNQHM-JQFCIGGWSA-N 1 0 318.417 2.111 10 0 DEAERO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)c1ccccc1 ZINC000261925639 647142046 /nfs/dbraw/zinc/14/20/46/647142046.db2.gz LAYJDHCWZNVYTB-BRSBDYLESA-N 1 0 304.434 2.121 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1ccc(Cl)s1 ZINC000193111355 647397305 /nfs/dbraw/zinc/39/73/05/647397305.db2.gz ADIPRWNAXPGBBJ-UWVGGRQHSA-N 1 0 302.827 2.299 10 0 DEAERO C[C@H]1CN(C(=O)c2nc(Cl)ccc2Cl)C[C@H]1[NH+](C)C ZINC000089710303 647968280 /nfs/dbraw/zinc/96/82/80/647968280.db2.gz WXDFCBOFLXJFKL-WCBMZHEXSA-N 1 0 302.205 2.411 10 0 DEAERO C[C@H]1CN(C(=O)c2cc(Cl)nc(Cl)c2)C[C@@H]1[NH+](C)C ZINC000089710337 647969173 /nfs/dbraw/zinc/96/91/73/647969173.db2.gz QOLAOBTZZZNYPR-WPRPVWTQSA-N 1 0 302.205 2.411 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)COc1ccc2c(c1)CCC2 ZINC000154996150 648157706 /nfs/dbraw/zinc/15/77/06/648157706.db2.gz ZZJKIYJRZHEEPT-KBPBESRZSA-N 1 0 302.418 2.105 10 0 DEAERO C[NH+](C)C1CCN(S(=O)(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000175217570 648339031 /nfs/dbraw/zinc/33/90/31/648339031.db2.gz LUFCITNNJMSEKP-FMIVXFBMSA-N 1 0 312.410 2.152 10 0 DEAERO CCOCCCOC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000175475737 648349743 /nfs/dbraw/zinc/34/97/43/648349743.db2.gz PCNURIVWROGVFV-UHFFFAOYSA-N 1 0 320.433 2.412 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1Cc2ccc(F)cc2C1=O ZINC000179862475 648430113 /nfs/dbraw/zinc/43/01/13/648430113.db2.gz UKODNPPDWVVJEW-HNNXBMFYSA-N 1 0 305.397 2.155 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc3c(c1)CCO3)CC2 ZINC000180614929 648502373 /nfs/dbraw/zinc/50/23/73/648502373.db2.gz ZPPFCYWGBYACNO-SWLSCSKDSA-N 1 0 312.417 2.441 10 0 DEAERO C#CC[NH+]1CCC(C(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000068918979 648509962 /nfs/dbraw/zinc/50/99/62/648509962.db2.gz FYGIKXHWEHKGDN-UHFFFAOYSA-N 1 0 300.406 2.282 10 0 DEAERO CCC[C@H](C)C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000182215194 648854219 /nfs/dbraw/zinc/85/42/19/648854219.db2.gz GJWLPKRFJYRQII-NSHDSACASA-N 1 0 312.426 2.277 10 0 DEAERO O[C@@H](C[NH2+][C@@H]1COc2ccccc21)COCc1cccs1 ZINC000070529739 648943127 /nfs/dbraw/zinc/94/31/27/648943127.db2.gz WBQUMRLSDUQZLV-SWLSCSKDSA-N 1 0 305.399 2.349 10 0 DEAERO O[C@H](C[NH2+][C@@H]1COc2ccccc21)COCc1cccs1 ZINC000070529741 648943150 /nfs/dbraw/zinc/94/31/50/648943150.db2.gz WBQUMRLSDUQZLV-IUODEOHRSA-N 1 0 305.399 2.349 10 0 DEAERO CO[C@@H](C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000183258613 649053001 /nfs/dbraw/zinc/05/30/01/649053001.db2.gz KSROYQHKCPKFBG-DLBZAZTESA-N 1 0 321.417 2.274 10 0 DEAERO CNC(=O)[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC000183658195 649130607 /nfs/dbraw/zinc/13/06/07/649130607.db2.gz MZSIHYDBSAIWSH-ZDUSSCGKSA-N 1 0 312.797 2.108 10 0 DEAERO CNC(=O)[C@H]([NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C(C)C ZINC000183675169 649133737 /nfs/dbraw/zinc/13/37/37/649133737.db2.gz ZBRVGXGWHMHQAY-UKRRQHHQSA-N 1 0 323.824 2.193 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)NOCc2ccc(F)cc2)[C@@H](C)C1 ZINC000183726420 649145563 /nfs/dbraw/zinc/14/55/63/649145563.db2.gz PKFFJXFTSJFZDD-WFASDCNBSA-N 1 0 309.385 2.285 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cc(F)cc(F)c2)C1 ZINC000073187563 649659395 /nfs/dbraw/zinc/65/93/95/649659395.db2.gz SNWMDJCKJYTVAS-OAHLLOKOSA-N 1 0 313.344 2.478 10 0 DEAERO CC(C)N1C(=O)CN(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)C1=O ZINC000114445092 651954840 /nfs/dbraw/zinc/95/48/40/651954840.db2.gz OHERBDBXHBQHGR-QGZVFWFLSA-N 1 0 305.422 2.439 10 0 DEAERO CC(C)c1ccc(NC(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000111220872 652534525 /nfs/dbraw/zinc/53/45/25/652534525.db2.gz UWTIGLZASBEJTK-DZGCQCFKSA-N 1 0 317.433 2.334 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000111715980 652618785 /nfs/dbraw/zinc/61/87/85/652618785.db2.gz OXORHJHRICKEBD-MNOVXSKESA-N 1 0 318.389 2.247 10 0 DEAERO N#Cc1sc(NC[C@@H]2[NH2+]CCc3ccccc32)nc1Cl ZINC000380315439 685396389 /nfs/dbraw/zinc/39/63/89/685396389.db2.gz JAQJLFFLRLBXHU-NSHDSACASA-N 1 0 304.806 2.389 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ncccc3Br)C[C@@H]21 ZINC000386678445 685419221 /nfs/dbraw/zinc/41/92/21/685419221.db2.gz XWSQCCLGSBIGTI-NTZNESFSSA-N 1 0 310.239 2.403 10 0 DEAERO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cnn(C)n1 ZINC000389834981 685436261 /nfs/dbraw/zinc/43/62/61/685436261.db2.gz NKIYZRWCZYOWNH-JSGCOSHPSA-N 1 0 323.441 2.083 10 0 DEAERO C[C@@H](CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[S@](C)=O ZINC000390746274 685441722 /nfs/dbraw/zinc/44/17/22/685441722.db2.gz QDFOYDQWUWYBCJ-GAPZROTKSA-N 1 0 308.491 2.396 10 0 DEAERO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CC2CCCCC2)cc1 ZINC000037886853 683884953 /nfs/dbraw/zinc/88/49/53/683884953.db2.gz XRTCEFQJSVBQDA-MRXNPFEDSA-N 1 0 311.447 2.293 10 0 DEAERO CC[NH+]1CCN(C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000042244426 683894849 /nfs/dbraw/zinc/89/48/49/683894849.db2.gz LOGXXAZONXAIOV-AWEZNQCLSA-N 1 0 302.340 2.376 10 0 DEAERO Cc1oc(-c2ccco2)nc1CC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000093991233 684052407 /nfs/dbraw/zinc/05/24/07/684052407.db2.gz LJDGKGGJJWKJSK-STQMWFEESA-N 1 0 317.389 2.384 10 0 DEAERO CCOC(=O)CN1CCC(COC(=O)c2ccsc2)CC1 ZINC000124792481 684138488 /nfs/dbraw/zinc/13/84/88/684138488.db2.gz NRRIMNAZGUVGKS-UHFFFAOYSA-N 1 0 311.403 2.180 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NC[C@H](O)c2ccccc2)CC1 ZINC000125265108 684143920 /nfs/dbraw/zinc/14/39/20/684143920.db2.gz OGGHFRXVZULXFJ-PREGVCBESA-N 1 0 319.449 2.140 10 0 DEAERO CC[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc2c(c1)CCO2 ZINC000125557892 684146573 /nfs/dbraw/zinc/14/65/73/684146573.db2.gz SERIZPIVDVAIIN-WMZOPIPTSA-N 1 0 305.418 2.451 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H](O)c1cc2ccccc2s1 ZINC000129424563 684179219 /nfs/dbraw/zinc/17/92/19/684179219.db2.gz CJSXXSJYKLKRGC-DGCLKSJQSA-N 1 0 304.415 2.051 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000129695509 684181407 /nfs/dbraw/zinc/18/14/07/684181407.db2.gz UIQGEFRVMQTGDY-BXKDBHETSA-N 1 0 317.216 2.143 10 0 DEAERO CC[S@@](=O)CC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000132733717 684212636 /nfs/dbraw/zinc/21/26/36/684212636.db2.gz IUXPCRHUKRRGQY-YUNKPMOVSA-N 1 0 309.353 2.097 10 0 DEAERO CC1(C)OCc2cc(C[NH2+][C@@H]3CCC[C@H](C(N)=O)C3)ccc2O1 ZINC000187406655 684337278 /nfs/dbraw/zinc/33/72/78/684337278.db2.gz FYWJPZGOCONWLI-DZGCQCFKSA-N 1 0 318.417 2.465 10 0 DEAERO CCCCNC(=[NH2+])NCCN1CCc2c(Cl)cccc2C1 ZINC000189387279 684379865 /nfs/dbraw/zinc/37/98/65/684379865.db2.gz AWHHUHQBFWVMEG-UHFFFAOYSA-N 1 0 308.857 2.403 10 0 DEAERO CCC(=O)CC[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000190174240 684396628 /nfs/dbraw/zinc/39/66/28/684396628.db2.gz BYEMEHQADOHXBB-UHFFFAOYSA-N 1 0 302.418 2.384 10 0 DEAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC000190201270 684398202 /nfs/dbraw/zinc/39/82/02/684398202.db2.gz JGOMFMISTRMBEV-INIZCTEOSA-N 1 0 324.465 2.253 10 0 DEAERO CC[C@@H]1CN(Cc2cnc(Cl)s2)CC[N@@H+]1C[C@H](C)O ZINC000252652473 685193745 /nfs/dbraw/zinc/19/37/45/685193745.db2.gz QQEGSHZQLRCPGC-WDEREUQCSA-N 1 0 303.859 2.074 10 0 DEAERO CC(=O)N1C[C@@H]([NH2+]Cc2ccncc2)CC[C@H]1C(F)(F)F ZINC000886027687 691986483 /nfs/dbraw/zinc/98/64/83/691986483.db2.gz DNBRALLGPDAZMH-STQMWFEESA-N 1 0 301.312 2.113 10 0 DEAERO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cncn2C)o1 ZINC000886031060 691987938 /nfs/dbraw/zinc/98/79/38/691987938.db2.gz GERZPZPNSMQPNX-WMLDXEAASA-N 1 0 302.422 2.494 10 0 DEAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)Cc2nc(C)c(C)o2)C1 ZINC000886082504 691999873 /nfs/dbraw/zinc/99/98/73/691999873.db2.gz INTRRNOGBAPFPQ-XHSDSOJGSA-N 1 0 307.438 2.365 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc2ccccc2nn1 ZINC000888608598 692552133 /nfs/dbraw/zinc/55/21/33/692552133.db2.gz KHJIIDISVLQIPJ-GXTWGEPZSA-N 1 0 311.389 2.330 10 0 DEAERO O=S(=O)(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc(Cl)s1 ZINC000401604101 782246619 /nfs/dbraw/zinc/24/66/19/782246619.db2.gz GGGLZUWTRSSDQN-SECBINFHSA-N 1 0 320.867 2.355 10 0 DEAERO FC(F)(F)[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](C3OCCO3)C2)O1 ZINC000721476233 777095182 /nfs/dbraw/zinc/09/51/82/777095182.db2.gz LUEBMDCBRRFHFF-WOPDTQHZSA-N 1 0 309.328 2.181 10 0 DEAERO CN1C[C@@H](CC[NH2+]Cc2occc2Br)CC1=O ZINC000723553280 777121605 /nfs/dbraw/zinc/12/16/05/777121605.db2.gz RWKKODBALHPYFS-VIFPVBQESA-N 1 0 301.184 2.000 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000723784850 777169853 /nfs/dbraw/zinc/16/98/53/777169853.db2.gz HRUZDVPHNVEPOG-BDAKNGLRSA-N 1 0 323.245 2.127 10 0 DEAERO C[C@H](O)CC(C)(C)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724113703 777244073 /nfs/dbraw/zinc/24/40/73/777244073.db2.gz GOXUELIGSUUNPG-WPRPVWTQSA-N 1 0 307.303 2.322 10 0 DEAERO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1CCOCC1 ZINC000724037942 777226607 /nfs/dbraw/zinc/22/66/07/777226607.db2.gz WIOXUHBMARORGH-WPRPVWTQSA-N 1 0 305.287 2.340 10 0 DEAERO C[C@](O)(C[NH2+]C[C@@H]1CCOC1(C)C)C(F)(F)C(F)(F)F ZINC000724095249 777239787 /nfs/dbraw/zinc/23/97/87/777239787.db2.gz AMOCCXJEZBEGOR-WPRPVWTQSA-N 1 0 305.287 2.340 10 0 DEAERO C[C@@](O)(C[NH2+][C@@H]1COC2(CCC2)C1)C(F)(F)C(F)(F)F ZINC000724106095 777241827 /nfs/dbraw/zinc/24/18/27/777241827.db2.gz SMTXUDNYDWQHMC-DTWKUNHWSA-N 1 0 303.271 2.236 10 0 DEAERO COC1(C)CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724111042 777243152 /nfs/dbraw/zinc/24/31/52/777243152.db2.gz LBFOPVUJAJBBEE-SNVBAGLBSA-N 1 0 305.287 2.436 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000725113351 777587550 /nfs/dbraw/zinc/58/75/50/777587550.db2.gz KFIDJZINMJZDHQ-GFCCVEGCSA-N 1 0 302.465 2.257 10 0 DEAERO CCN(Cc1cccc(Cl)c1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000722237326 778511447 /nfs/dbraw/zinc/51/14/47/778511447.db2.gz FIPYQLDTBMOLFM-CQSZACIVSA-N 1 0 316.854 2.244 10 0 DEAERO Cn1nc(Br)cc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722321072 778616039 /nfs/dbraw/zinc/61/60/39/778616039.db2.gz PESMIMMTPMSNFH-RYUDHWBXSA-N 1 0 314.227 2.230 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000721858828 780394261 /nfs/dbraw/zinc/39/42/61/780394261.db2.gz GALRVKZAIBQVEX-APIJFGDWSA-N 1 0 311.470 2.314 10 0 DEAERO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cn(C)cn1 ZINC000721863179 780405522 /nfs/dbraw/zinc/40/55/22/780405522.db2.gz IHDOWDABCSMEKZ-FRRDWIJNSA-N 1 0 308.426 2.326 10 0 DEAERO CO[C@@]1(C[NH2+][C@H](C)c2ccccc2Cl)CCS(=O)(=O)C1 ZINC000721258959 781018426 /nfs/dbraw/zinc/01/84/26/781018426.db2.gz IXWXVUVCXCVMII-BXUZGUMPSA-N 1 0 317.838 2.194 10 0 DEAERO CC[C@@H](C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C)[NH+](CC)CC ZINC000440149579 781847506 /nfs/dbraw/zinc/84/75/06/781847506.db2.gz KRSXPERZBYVORK-KGLIPLIRSA-N 1 0 321.469 2.425 10 0 DEAERO COC[C@@H](C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)C(C)C ZINC000721729151 781856890 /nfs/dbraw/zinc/85/68/90/781856890.db2.gz VOGNPQZIUFOTCD-RTBURBONSA-N 1 0 320.477 2.132 10 0 DEAERO Cc1nc2c(cnn2C)c(N[C@H](C)C[NH+]2CCCCCC2)n1 ZINC000185964028 784336089 /nfs/dbraw/zinc/33/60/89/784336089.db2.gz IAGCEYSYAWWNDB-GFCCVEGCSA-N 1 0 302.426 2.348 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000722264952 787327805 /nfs/dbraw/zinc/32/78/05/787327805.db2.gz FBXYIASCGODGTQ-SDKNFDLMSA-N 1 0 323.481 2.457 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1C ZINC000722565958 787333804 /nfs/dbraw/zinc/33/38/04/787333804.db2.gz ZCITWQVJUAGEBF-VXGBXAGGSA-N 1 0 302.465 2.222 10 0 DEAERO Cc1csc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)n1 ZINC000724111824 787349507 /nfs/dbraw/zinc/34/95/07/787349507.db2.gz WFVVHWSZNMBWPM-QMMMGPOBSA-N 1 0 304.284 2.490 10 0 DEAERO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cn1 ZINC000724315788 787351233 /nfs/dbraw/zinc/35/12/33/787351233.db2.gz BREVQFLGNIKCQG-NSNUZPRRSA-N 1 0 314.838 2.494 10 0 DEAERO CC(C)[N@@H+]1CC[C@H](CNCc2cn(C)nc2Br)C1 ZINC000712460597 792188692 /nfs/dbraw/zinc/18/86/92/792188692.db2.gz DXMWHQBTXZPRNR-LLVKDONJSA-N 1 0 315.259 2.003 10 0 DEAERO COC1CCC([NH2+]Cc2cn(C)nc2Br)CC1 ZINC000712476618 792190703 /nfs/dbraw/zinc/19/07/03/792190703.db2.gz VNFWKKXTLCLSAG-UHFFFAOYSA-N 1 0 302.216 2.230 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2Br)C1(C)C ZINC000712469107 792190898 /nfs/dbraw/zinc/19/08/98/792190898.db2.gz FIMZKIXUFSLIMR-GHMZBOCLSA-N 1 0 316.243 2.476 10 0 DEAERO CCN1CC[C@H]1C[NH2+]Cc1snc(OC)c1Br ZINC000712535717 792199540 /nfs/dbraw/zinc/19/95/40/792199540.db2.gz ORKFSLAOFNEYJK-QMMMGPOBSA-N 1 0 320.256 2.098 10 0 DEAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCCCOCc2ccccc2)C1 ZINC000713194366 792215547 /nfs/dbraw/zinc/21/55/47/792215547.db2.gz LVTVGNQDUTVWQG-LZLYRXPVSA-N 1 0 302.418 2.227 10 0 DEAERO Cn1cc(CN2C[C@H]([NH3+])Cc3ccccc32)c(Br)n1 ZINC000714088239 792284740 /nfs/dbraw/zinc/28/47/40/792284740.db2.gz XCILOARCQZKTRA-GFCCVEGCSA-N 1 0 321.222 2.073 10 0 DEAERO CCn1cc(CNC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)nn1 ZINC000714950202 792374191 /nfs/dbraw/zinc/37/41/91/792374191.db2.gz LCTCVXYLGMJNKV-SFHVURJKSA-N 1 0 313.449 2.442 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1(F)F ZINC000715210222 792404178 /nfs/dbraw/zinc/40/41/78/792404178.db2.gz GGPOYDUYFBXFOE-HUUCEWRRSA-N 1 0 324.371 2.034 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@@H](NCc2nc(Br)c[nH]2)C1 ZINC000715489889 792469560 /nfs/dbraw/zinc/46/95/60/792469560.db2.gz GBFQTRIAPRNPEF-NXEZZACHSA-N 1 0 301.232 2.135 10 0 DEAERO C[C@@H]([NH2+]CC[C@H]1CCCS1)c1ccc(S(N)(=O)=O)cc1 ZINC000715628392 792481686 /nfs/dbraw/zinc/48/16/86/792481686.db2.gz ZIOLMRYPVLOOJN-DGCLKSJQSA-N 1 0 314.476 2.270 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cn(C)nn1 ZINC000715850476 792526154 /nfs/dbraw/zinc/52/61/54/792526154.db2.gz AWYOEHLMSVAARF-STQMWFEESA-N 1 0 323.441 2.255 10 0 DEAERO C[C@H](CCOCc1ccccc1)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716120895 792556523 /nfs/dbraw/zinc/55/65/23/792556523.db2.gz HZQIRYDSRRMSKC-IUDNXUCKSA-N 1 0 311.447 2.147 10 0 DEAERO COC[C@H]([NH3+])Cc1cn(-c2cc(Cl)cc(Cl)c2)nn1 ZINC000716416751 792957045 /nfs/dbraw/zinc/95/70/45/792957045.db2.gz UNAWCOMXTKXORB-SNVBAGLBSA-N 1 0 301.177 2.090 10 0 DEAERO Cc1cc(C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000716447394 792958956 /nfs/dbraw/zinc/95/89/56/792958956.db2.gz PFARSKMRETYQCC-RISCZKNCSA-N 1 0 308.426 2.453 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)sc1Cl ZINC000716550909 792973057 /nfs/dbraw/zinc/97/30/57/792973057.db2.gz BUFQWAKMSRWMTG-SECBINFHSA-N 1 0 322.883 2.376 10 0 DEAERO COCC[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619789 792979465 /nfs/dbraw/zinc/97/94/65/792979465.db2.gz HWCXXLAXXNRPHY-MANSERQUSA-N 1 0 318.461 2.027 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCOCC2)[C@H]1c1ccccc1 ZINC000245640555 797935083 /nfs/dbraw/zinc/93/50/83/797935083.db2.gz YTNQZWWUOFOIGF-YESZJQIVSA-N 1 0 317.433 2.300 10 0 DEAERO COCc1nc(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cs1 ZINC000717029266 798945711 /nfs/dbraw/zinc/94/57/11/798945711.db2.gz AHDFLCCTQXOGNV-ZJUUUORDSA-N 1 0 309.357 2.001 10 0 DEAERO CC1(C)CO[C@H](CC[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000717375102 799391592 /nfs/dbraw/zinc/39/15/92/799391592.db2.gz KOTRCERMNMMPFU-MGPQQGTHSA-N 1 0 303.468 2.137 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000717725331 799429094 /nfs/dbraw/zinc/42/90/94/799429094.db2.gz XVDHASRVPFJNHO-UTUOFQBUSA-N 1 0 322.396 2.238 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401702652 801843070 /nfs/dbraw/zinc/84/30/70/801843070.db2.gz AWGQNZIVWPYTQR-KFWWJZLASA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401702654 801843257 /nfs/dbraw/zinc/84/32/57/801843257.db2.gz AWGQNZIVWPYTQR-RBSFLKMASA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]C2CCN(C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401719550 801845195 /nfs/dbraw/zinc/84/51/95/801845195.db2.gz MUADQMZKPYHZSD-UKRRQHHQSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCn2cccn2)CN(C(=O)OC(C)(C)C)C1 ZINC000401754348 801848823 /nfs/dbraw/zinc/84/88/23/801848823.db2.gz ZRXBGAHEZBASMU-KBPBESRZSA-N 1 0 308.426 2.118 10 0 DEAERO C[C@H](O)C[C@H](C)[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401755401 801849071 /nfs/dbraw/zinc/84/90/71/801849071.db2.gz DKYVEZBPBHTKDQ-XUXIUFHCSA-N 1 0 300.443 2.381 10 0 DEAERO CC(C)[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401768305 801849725 /nfs/dbraw/zinc/84/97/25/801849725.db2.gz MXANIDMXOZEVQU-MCIONIFRSA-N 1 0 300.443 2.238 10 0 DEAERO C[C@H](CCO)C[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401771036 801850091 /nfs/dbraw/zinc/85/00/91/801850091.db2.gz OJSFUNKHPBXTQE-MCIONIFRSA-N 1 0 300.443 2.240 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]Cc2cncn2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401765056 801850228 /nfs/dbraw/zinc/85/02/28/801850228.db2.gz XWJMNPSFQVRXIC-QWHCGFSZSA-N 1 0 308.426 2.155 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CO)CN(C(=O)OC(C)(C)C)C1 ZINC000401767301 801850247 /nfs/dbraw/zinc/85/02/47/801850247.db2.gz MIADFQCGBNJFSC-OLZOCXBDSA-N 1 0 300.443 2.240 10 0 DEAERO C[C@@H]([NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)C(C)(C)O ZINC000401778243 801850253 /nfs/dbraw/zinc/85/02/53/801850253.db2.gz OPMJCHBGJKREGH-JHJVBQTASA-N 1 0 300.443 2.381 10 0 DEAERO CC(C)(F)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404136926 801996428 /nfs/dbraw/zinc/99/64/28/801996428.db2.gz CZTGRFWHYJMRQP-HZPDHXFCSA-N 1 0 320.408 2.236 10 0 DEAERO CC(C)=CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404199734 802007819 /nfs/dbraw/zinc/00/78/19/802007819.db2.gz HQNAEJVZBCKBRF-MSOLQXFVSA-N 1 0 314.429 2.455 10 0 DEAERO Cn1ccc(C[NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)n1 ZINC000404555782 802024178 /nfs/dbraw/zinc/02/41/78/802024178.db2.gz BEKGGTPXBNVKLT-UHFFFAOYSA-N 1 0 308.426 2.205 10 0 DEAERO Cn1cnc(CC[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1 ZINC000404792362 802030742 /nfs/dbraw/zinc/03/07/42/802030742.db2.gz FTDXFMGKCMLMAW-UONOGXRCSA-N 1 0 322.453 2.244 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CC2(CO)CC2)C12CCC2 ZINC000405310519 802050382 /nfs/dbraw/zinc/05/03/82/802050382.db2.gz OKLFNESMAYVDJF-OLZOCXBDSA-N 1 0 310.438 2.184 10 0 DEAERO COc1ccc(C[NH2+][C@@H](C)Cn2cncn2)cc1OCC(C)C ZINC000067505043 1079893709 /nfs/dbraw/zinc/89/37/09/1079893709.db2.gz HDKLIDWHTFYDNA-AWEZNQCLSA-N 1 0 318.421 2.500 10 0 DEAERO c1c(CC[NH2+]Cc2cnc(N3CCCC3)nc2)nc2ccccn12 ZINC000069676612 1079968370 /nfs/dbraw/zinc/96/83/70/1079968370.db2.gz SEYILYRMMDUTCK-UHFFFAOYSA-N 1 0 322.416 2.057 10 0 DEAERO C=CCc1cc(C[NH2+]C[C@@H](O)C2CCOCC2)cc(OC)c1O ZINC000076905582 1080405069 /nfs/dbraw/zinc/40/50/69/1080405069.db2.gz LFSVGGBNCITVGR-MRXNPFEDSA-N 1 0 321.417 2.006 10 0 DEAERO CC(C)C[C@@H]1[C@H]2C(=O)N(C)C(=O)[C@H]2C[N@@H+]1Cc1ccccc1 ZINC000409429221 1082279674 /nfs/dbraw/zinc/27/96/74/1082279674.db2.gz ISIJNJHPCLHJAA-XHSDSOJGSA-N 1 0 300.402 2.148 10 0 DEAERO CC[C@H]([NH2+]Cc1cc(Br)nn1C)[C@@H]1CCCOC1 ZINC000724015568 1082460060 /nfs/dbraw/zinc/46/00/60/1082460060.db2.gz VXBNEHUOFMZEPN-PWSUYJOCSA-N 1 0 316.243 2.477 10 0 DEAERO Cc1nn(C)c(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)c1Cl ZINC000720510351 1085266830 /nfs/dbraw/zinc/26/68/30/1085266830.db2.gz KGLZVZNSZIWCMA-DGCLKSJQSA-N 1 0 314.886 2.051 10 0 DEAERO O=C(N[C@@H]1CCCN2CCSC[C@H]12)c1cc(Cl)ccn1 ZINC000720513567 1085283075 /nfs/dbraw/zinc/28/30/75/1085283075.db2.gz WPNDUXDSOOCILL-DGCLKSJQSA-N 1 0 311.838 2.045 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000721035659 1085598823 /nfs/dbraw/zinc/59/88/23/1085598823.db2.gz GLOLRHBNWDAALJ-VXGBXAGGSA-N 1 0 316.854 2.172 10 0 DEAERO C[C@@H]1CC[C@@H](NS(=O)(=O)/C=C\c2ccc(Cl)cc2)C[NH2+]1 ZINC000700706740 1086330053 /nfs/dbraw/zinc/33/00/53/1086330053.db2.gz YGOFTWAKSCTFQT-IJTORHSASA-N 1 0 314.838 2.371 10 0 DEAERO O=S(=O)(NCc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000700729143 1086330692 /nfs/dbraw/zinc/33/06/92/1086330692.db2.gz QCGWYNCWLMBOHX-SNVBAGLBSA-N 1 0 323.245 2.165 10 0 DEAERO C[C@H]1CN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC000702337415 1086424934 /nfs/dbraw/zinc/42/49/34/1086424934.db2.gz KWIGOOINYIPWAG-GDBMZVCRSA-N 1 0 303.450 2.093 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(Cl)nc(Cl)c3)C[C@]2(C)C1 ZINC000702397452 1086425720 /nfs/dbraw/zinc/42/57/20/1086425720.db2.gz QBNGJMSMHHEKQK-YGRLFVJLSA-N 1 0 314.216 2.412 10 0 DEAERO Cc1cc(Br)cc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703549816 1086515305 /nfs/dbraw/zinc/51/53/05/1086515305.db2.gz MKZREWHSUVLXEG-SWLSCSKDSA-N 1 0 323.234 2.439 10 0 DEAERO C[C@@H]1CCN(Cc2ccc(N)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000703910082 1086566691 /nfs/dbraw/zinc/56/66/91/1086566691.db2.gz BUSYKQSNAJYXNW-OAHLLOKOSA-N 1 0 311.433 2.155 10 0 DEAERO CC[C@H]1C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)CO1 ZINC000705921312 1086626044 /nfs/dbraw/zinc/62/60/44/1086626044.db2.gz DGCMMHRQNKQFFF-KBPBESRZSA-N 1 0 316.442 2.027 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)n2C)C[C@@]1(C)C[NH3+] ZINC000706069756 1086630190 /nfs/dbraw/zinc/63/01/90/1086630190.db2.gz HZMUMOGMHYUTIR-AMIZOPFISA-N 1 0 304.221 2.389 10 0 DEAERO CO[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000708712169 1086679339 /nfs/dbraw/zinc/67/93/39/1086679339.db2.gz MVWURBKJQWITJL-GDLCADMTSA-N 1 0 314.223 2.497 10 0 DEAERO O[C@@H](C[NH2+]CCc1ccns1)COc1ccc(Cl)cc1 ZINC000709882225 1086685401 /nfs/dbraw/zinc/68/54/01/1086685401.db2.gz SEMMHVYVDBQOGY-LBPRGKRZSA-N 1 0 312.822 2.369 10 0 DEAERO Cc1csc(CC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000710864938 1086689665 /nfs/dbraw/zinc/68/96/65/1086689665.db2.gz MPWVTKTWJWHQHD-UHFFFAOYSA-N 1 0 311.451 2.451 10 0 DEAERO Cc1cccc(CC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000710925827 1086691781 /nfs/dbraw/zinc/69/17/81/1086691781.db2.gz GPJSSLXISDLHQN-UHFFFAOYSA-N 1 0 305.422 2.389 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1cccc(Br)c1 ZINC000711278832 1087041477 /nfs/dbraw/zinc/04/14/77/1087041477.db2.gz VUYBWVUXGWHDQH-LBPRGKRZSA-N 1 0 311.223 2.311 10 0 DEAERO C[C@@H](CCCO)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711478944 1087120561 /nfs/dbraw/zinc/12/05/61/1087120561.db2.gz XMBWHZWEJBUFDP-MELADBBJSA-N 1 0 300.443 2.288 10 0 DEAERO Cn1cncc1C[NH2+][C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711640759 1087184641 /nfs/dbraw/zinc/18/46/41/1087184641.db2.gz QHTOWTHFHGBVQK-YOEHRIQHSA-N 1 0 320.437 2.442 10 0 DEAERO Cc1nc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)sc1Br ZINC000719254855 1088914169 /nfs/dbraw/zinc/91/41/69/1088914169.db2.gz ZTPANQJQWWVYGU-UWVGGRQHSA-N 1 0 316.268 2.398 10 0 DEAERO O=C(NCc1ncc(Cl)s1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000719407185 1089132365 /nfs/dbraw/zinc/13/23/65/1089132365.db2.gz ADOBVUWAASPQCA-NSHDSACASA-N 1 0 307.806 2.300 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CCN1C ZINC000719570522 1089306682 /nfs/dbraw/zinc/30/66/82/1089306682.db2.gz OOYPVFAOBVQWOX-LJISPDSOSA-N 1 0 311.470 2.457 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CCN1C ZINC000719597137 1089317300 /nfs/dbraw/zinc/31/73/00/1089317300.db2.gz DIEYEGJVDKUYIS-OLMNGRFOSA-N 1 0 323.481 2.457 10 0 DEAERO O[C@H]1CCCC[C@H]1[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000179286505 1090496360 /nfs/dbraw/zinc/49/63/60/1090496360.db2.gz RPTONQJAMOOVIQ-CABCVRRESA-N 1 0 301.390 2.253 10 0 DEAERO C[NH2+][C@@H](CSCCS(C)(=O)=O)c1cc2ccccc2o1 ZINC000081769093 192322895 /nfs/dbraw/zinc/32/28/95/192322895.db2.gz GFSRAAUXQOWFCL-LBPRGKRZSA-N 1 0 313.444 2.471 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1SCCS(C)(=O)=O ZINC000081768972 192323301 /nfs/dbraw/zinc/32/33/01/192323301.db2.gz SALBXCYWOKRWHP-LSDHHAIUSA-N 1 0 313.488 2.430 10 0 DEAERO CCC[NH2+][C@@H]1c2ccccc2OC[C@H]1Sc1nncn1C ZINC000081866887 192333083 /nfs/dbraw/zinc/33/30/83/192333083.db2.gz PVFZBLKJYUOFKE-ZIAGYGMSSA-N 1 0 304.419 2.409 10 0 DEAERO [NH3+][C@H]1CCC2(C[C@H]1Sc1nc3ccccc3[nH]1)OCCO2 ZINC000081862753 192333115 /nfs/dbraw/zinc/33/31/15/192333115.db2.gz KKCAWZNZNRZAEQ-GXFFZTMASA-N 1 0 305.403 2.278 10 0 DEAERO Cc1ccc([C@@H]([NH3+])CSc2n[nH]c(=O)n2C2CC2)c(C)c1 ZINC000081880044 192333783 /nfs/dbraw/zinc/33/37/83/192333783.db2.gz HZCVEXKEDAXQOA-ZDUSSCGKSA-N 1 0 304.419 2.315 10 0 DEAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1Sc1n[nH]c(=O)n1CC ZINC000081879828 192334039 /nfs/dbraw/zinc/33/40/39/192334039.db2.gz KSQFIVIWRIOXHT-AGIUHOORSA-N 1 0 312.483 2.486 10 0 DEAERO Cn1c(SC[C@H]([NH3+])c2ccc(C(C)(C)C)cc2)n[nH]c1=O ZINC000081880459 192334614 /nfs/dbraw/zinc/33/46/14/192334614.db2.gz IALKKQNZEILJQL-LBPRGKRZSA-N 1 0 306.435 2.198 10 0 DEAERO [NH3+][C@@H]1CCC2(C[C@@H]1Sc1ccc(Cl)cn1)OCCO2 ZINC000081895996 192335824 /nfs/dbraw/zinc/33/58/24/192335824.db2.gz JKWIMXJFUALNDW-MNOVXSKESA-N 1 0 300.811 2.450 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1n1cc(Br)c2cc[nH]c(=O)c21 ZINC000162634378 197581222 /nfs/dbraw/zinc/58/12/22/197581222.db2.gz IZWHMTKWPWABDK-KCJUWKMLSA-N 1 0 310.195 2.263 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)CSCC[NH3+] ZINC000096757370 185386498 /nfs/dbraw/zinc/38/64/98/185386498.db2.gz KYDDVASRTCFZDQ-UHFFFAOYSA-N 1 0 316.448 2.172 10 0 DEAERO C[C@H](CS(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000163753137 197647917 /nfs/dbraw/zinc/64/79/17/197647917.db2.gz PLOSCKZGNIMKFN-FMKPAKJESA-N 1 0 310.463 2.037 10 0 DEAERO Nc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1Br ZINC000078897945 185125333 /nfs/dbraw/zinc/12/53/33/185125333.db2.gz WAYQALLMJUODQR-LLVKDONJSA-N 1 0 310.239 2.358 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)CCOC)c1cc(C)ccc1C ZINC000081943233 192343967 /nfs/dbraw/zinc/34/39/67/192343967.db2.gz HHHZUAVIUPVKNG-INIZCTEOSA-N 1 0 313.463 2.405 10 0 DEAERO CC[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)S(=O)(=O)CCOC ZINC000081943738 192344621 /nfs/dbraw/zinc/34/46/21/192344621.db2.gz CYZHIPDCACRWEJ-HZPDHXFCSA-N 1 0 313.463 2.423 10 0 DEAERO CC[C@H]([NH3+])Cc1ccc(Cl)cc1N1CCn2cnnc2C1 ZINC000164733530 197662616 /nfs/dbraw/zinc/66/26/16/197662616.db2.gz GDEYCKPSSNWKQL-ZDUSSCGKSA-N 1 0 305.813 2.232 10 0 DEAERO C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000305795571 231057592 /nfs/dbraw/zinc/05/75/92/231057592.db2.gz AENJHKTWQHZGBM-ABFRBSLYSA-N 1 0 323.481 2.242 10 0 DEAERO CC[C@]1(C)CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCO1 ZINC000188224346 529403221 /nfs/dbraw/zinc/40/32/21/529403221.db2.gz IKCUYVDOUSRYAC-VMBOVVBDSA-N 1 0 311.470 2.317 10 0 DEAERO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000152819249 282155255 /nfs/dbraw/zinc/15/52/55/282155255.db2.gz RNMITYDLUVLJAH-NVXWUHKLSA-N 1 0 320.408 2.285 10 0 DEAERO Cn1cc([C@H](C[NH3+])Sc2ncccc2Br)cn1 ZINC000079423270 185170839 /nfs/dbraw/zinc/17/08/39/185170839.db2.gz ZGIQQKAUGXBQHL-JTQLQIEISA-N 1 0 313.224 2.370 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)c2ccc(CC[NH3+])s2)CC1 ZINC000079358196 185166810 /nfs/dbraw/zinc/16/68/10/185166810.db2.gz DRQQZUHAXYDALV-LBPRGKRZSA-N 1 0 316.492 2.450 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC000079358107 185166898 /nfs/dbraw/zinc/16/68/98/185166898.db2.gz SIQYXFYFNFHCBN-AWEZNQCLSA-N 1 0 310.463 2.389 10 0 DEAERO CC(C)[NH2+]CCS(=O)(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000079358463 185167002 /nfs/dbraw/zinc/16/70/02/185167002.db2.gz NOTIIRHEHMDRJI-AWEZNQCLSA-N 1 0 304.500 2.462 10 0 DEAERO O=C(C[C@H]1CCCCC(=O)N1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328675166 231303908 /nfs/dbraw/zinc/30/39/08/231303908.db2.gz QOFLDWQQLFBQFK-CABCVRRESA-N 1 0 307.438 2.362 10 0 DEAERO Cc1cc([C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)[nH]n1 ZINC000328704820 231316051 /nfs/dbraw/zinc/31/60/51/231316051.db2.gz YKQOQANOLRQFQT-DOTOQJQBSA-N 1 0 316.449 2.299 10 0 DEAERO [NH3+]CCc1ccc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000087779042 185231830 /nfs/dbraw/zinc/23/18/30/185231830.db2.gz URMXTSJSNQAPDS-ZBFHGGJFSA-N 1 0 308.447 2.141 10 0 DEAERO COC[C@H](C)[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000173497955 282190655 /nfs/dbraw/zinc/19/06/55/282190655.db2.gz SRNUNGMQFWRFPT-AWEZNQCLSA-N 1 0 312.841 2.371 10 0 DEAERO COCCN(C(=O)CCC(C)(C)CC[NH3+])[C@@H]1CCSC1 ZINC000087696036 185230816 /nfs/dbraw/zinc/23/08/16/185230816.db2.gz ZUKOWMSFPBGDLD-CYBMUJFWSA-N 1 0 302.484 2.122 10 0 DEAERO CCCC[C@H](C[NH3+])Nc1ncncc1I ZINC000087780085 185231648 /nfs/dbraw/zinc/23/16/48/185231648.db2.gz PPJKEVWESIVKJM-MRVPVSSYSA-N 1 0 320.178 2.011 10 0 DEAERO COCOc1c(Br)cc(C[C@@H](C)[NH3+])cc1OC ZINC000087888355 185234818 /nfs/dbraw/zinc/23/48/18/185234818.db2.gz HCIMGGRVBWVDSL-MRVPVSSYSA-N 1 0 304.184 2.330 10 0 DEAERO Cc1cc(Sc2ccc(Br)cn2)nc(NN)[nH+]1 ZINC000087894813 185235228 /nfs/dbraw/zinc/23/52/28/185235228.db2.gz XQWSWKMQGOFREZ-UHFFFAOYSA-N 1 0 312.196 2.379 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@]1(C[NH3+])Nc1cccc(Cl)c1 ZINC000087913637 185237456 /nfs/dbraw/zinc/23/74/56/185237456.db2.gz QFVUFGOXGZMESE-QWHCGFSZSA-N 1 0 302.827 2.047 10 0 DEAERO C[C@@H](C[NH3+])CC(=O)Nc1ccc(I)cc1 ZINC000087983143 185237705 /nfs/dbraw/zinc/23/77/05/185237705.db2.gz IFECSQRAUSWZQP-MRVPVSSYSA-N 1 0 318.158 2.215 10 0 DEAERO C[C@H]([NH3+])CCS(=O)(=O)Cc1ccc(Br)cc1 ZINC000088077490 185238787 /nfs/dbraw/zinc/23/87/87/185238787.db2.gz JEVQJRWHVORTCH-VIFPVBQESA-N 1 0 306.225 2.101 10 0 DEAERO C[C@@H]([NH3+])CCS(=O)(=O)Cc1cc(Br)cs1 ZINC000088077515 185238940 /nfs/dbraw/zinc/23/89/40/185238940.db2.gz BCJRYUQPSDCHSO-SSDOTTSWSA-N 1 0 312.254 2.163 10 0 DEAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc2nc(N)sc2c1 ZINC000087847499 185233404 /nfs/dbraw/zinc/23/34/04/185233404.db2.gz XOIYVSNFIWSMHT-LBPRGKRZSA-N 1 0 306.435 2.195 10 0 DEAERO Cc1ccc(C(N)=S)c(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000088164696 185240766 /nfs/dbraw/zinc/24/07/66/185240766.db2.gz LMJJETLLZJAHDL-YHWZYXNKSA-N 1 0 304.463 2.451 10 0 DEAERO [NH3+][C@@H]1CCN(c2c3nsnc3c(Cl)cc2Cl)C1=O ZINC000088120633 185240167 /nfs/dbraw/zinc/24/01/67/185240167.db2.gz SGEYOVNGTSOUIE-ZCFIWIBFSA-N 1 0 303.174 2.062 10 0 DEAERO [NH3+]Cc1ccc(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000088416622 185249160 /nfs/dbraw/zinc/24/91/60/185249160.db2.gz OIULRRYIUVZKSB-CYBMUJFWSA-N 1 0 300.324 2.489 10 0 DEAERO [NH3+]Cc1ccccc1S(=O)(=O)N1CCC(C(F)(F)F)CC1 ZINC000088419212 185249543 /nfs/dbraw/zinc/24/95/43/185249543.db2.gz OEFUCWOQRZWZTA-UHFFFAOYSA-N 1 0 322.352 2.108 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000088551446 185257480 /nfs/dbraw/zinc/25/74/80/185257480.db2.gz VWYRLKGCLDAJRY-GRYCIOLGSA-N 1 0 300.424 2.102 10 0 DEAERO CC1(O)CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000177306932 282203732 /nfs/dbraw/zinc/20/37/32/282203732.db2.gz RCFLWNXQLWWRRW-HNNXBMFYSA-N 1 0 313.825 2.064 10 0 DEAERO CCC[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088541960 185256155 /nfs/dbraw/zinc/25/61/55/185256155.db2.gz AMAMBIZPZJGNPJ-LBPRGKRZSA-N 1 0 302.440 2.492 10 0 DEAERO CC[C@H]1CCCN1S(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088543309 185256509 /nfs/dbraw/zinc/25/65/09/185256509.db2.gz NEMCUVSTTNNXMS-LBPRGKRZSA-N 1 0 300.424 2.341 10 0 DEAERO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1ccccc1C(N)=S ZINC000088704636 185262711 /nfs/dbraw/zinc/26/27/11/185262711.db2.gz DTPVKSZSFZUKDM-NWDGAFQWSA-N 1 0 305.447 2.380 10 0 DEAERO Cc1ccccc1S(=O)(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000088714800 185262860 /nfs/dbraw/zinc/26/28/60/185262860.db2.gz YARYCEAOXJFTMH-UHFFFAOYSA-N 1 0 306.387 2.133 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)CC)o1 ZINC000088551584 185257638 /nfs/dbraw/zinc/25/76/38/185257638.db2.gz LUXKMLPYWMSVCA-NWDGAFQWSA-N 1 0 302.440 2.492 10 0 DEAERO Cc1ccccc1S(=O)(=O)NCc1ccc(C[NH3+])cc1F ZINC000088714938 185262880 /nfs/dbraw/zinc/26/28/80/185262880.db2.gz RKWKZHPVLBGIDA-UHFFFAOYSA-N 1 0 308.378 2.071 10 0 DEAERO CCC[NH2+][C@@H](c1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000088567526 185258142 /nfs/dbraw/zinc/25/81/42/185258142.db2.gz RGSYOTKTDPYZEN-HOTGVXAUSA-N 1 0 311.447 2.308 10 0 DEAERO CCn1ncnc1C[C@@](C)([NH3+])c1cccc(Br)c1 ZINC000088607024 185259966 /nfs/dbraw/zinc/25/99/66/185259966.db2.gz WYLHCHMLESRCRB-CYBMUJFWSA-N 1 0 309.211 2.477 10 0 DEAERO Nc1c2ccccc2sc1C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000088638039 185260461 /nfs/dbraw/zinc/26/04/61/185260461.db2.gz GPHZCQUBFKTQMB-LBPRGKRZSA-N 1 0 301.415 2.308 10 0 DEAERO Cc1ccc2c(N)c(C(=O)NCC[N@@H+](C)C(C)C)sc2n1 ZINC000088643139 185261252 /nfs/dbraw/zinc/26/12/52/185261252.db2.gz XCLYTZVJRRYQII-UHFFFAOYSA-N 1 0 306.435 2.257 10 0 DEAERO CC(C)C[NH2+]Cc1cccc2ccn(CCS(C)(=O)=O)c21 ZINC000088732159 185263627 /nfs/dbraw/zinc/26/36/27/185263627.db2.gz SNGRFTMXDBHWGN-UHFFFAOYSA-N 1 0 308.447 2.432 10 0 DEAERO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1=O)c1cccc(C(F)(F)F)c1 ZINC000088774658 185265354 /nfs/dbraw/zinc/26/53/54/185265354.db2.gz OFVLBWCMHONRLY-KCJUWKMLSA-N 1 0 300.280 2.113 10 0 DEAERO CCC[C@H](c1nc(C)c(C(=O)OCC)s1)N1CC[NH2+]CC1 ZINC000088870313 185267373 /nfs/dbraw/zinc/26/73/73/185267373.db2.gz TXESICKTRUENOC-GFCCVEGCSA-N 1 0 311.451 2.375 10 0 DEAERO CCC[C@@H]1CC[C@@H]([NH2+]CC)[C@H](S(=O)(=O)CCCOC)C1 ZINC000081985374 192349708 /nfs/dbraw/zinc/34/97/08/192349708.db2.gz HQMNIYSITPOTQM-RBSFLKMASA-N 1 0 305.484 2.385 10 0 DEAERO COc1ccccc1S(=O)(=O)[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000081987376 192351111 /nfs/dbraw/zinc/35/11/11/192351111.db2.gz XMSRLBLRZPUYLS-HZPDHXFCSA-N 1 0 303.383 2.094 10 0 DEAERO CC1CC[NH+](CCCNC(=O)NCCCc2ccccn2)CC1 ZINC000179161533 282217185 /nfs/dbraw/zinc/21/71/85/282217185.db2.gz QFXYUUNGRCWEET-UHFFFAOYSA-N 1 0 318.465 2.435 10 0 DEAERO CC(C)C[C@](C)(O)C[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000090272374 185288635 /nfs/dbraw/zinc/28/86/35/185288635.db2.gz WNRBTYHTOMGJFS-HNNXBMFYSA-N 1 0 300.349 2.290 10 0 DEAERO C[C@](O)(CO)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000090284626 185289300 /nfs/dbraw/zinc/28/93/00/185289300.db2.gz JELPGKOWZIIORD-UXUKBGGZSA-N 1 0 314.223 2.028 10 0 DEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1c(F)c(F)c(F)c(F)c1F ZINC000090327336 185291384 /nfs/dbraw/zinc/29/13/84/185291384.db2.gz RRFMOARILOMXKV-BWZBUEFSSA-N 1 0 306.278 2.422 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1 ZINC000090337857 185291900 /nfs/dbraw/zinc/29/19/00/185291900.db2.gz UWENSBTZPNRWBO-RISCZKNCSA-N 1 0 307.825 2.208 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090337888 185291921 /nfs/dbraw/zinc/29/19/21/185291921.db2.gz GFTLBTNHJPJPPH-VXGBXAGGSA-N 1 0 308.809 2.499 10 0 DEAERO Cc1cc(Cl)c(NC(=O)[C@@H]2COC[C@H]2[NH3+])c2cccnc12 ZINC000090379770 185293405 /nfs/dbraw/zinc/29/34/05/185293405.db2.gz MMTFFXUEVJXRQZ-ZYHUDNBSSA-N 1 0 305.765 2.109 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000090379134 185293512 /nfs/dbraw/zinc/29/35/12/185293512.db2.gz VIFNGSBSLBGZCI-HZGVNTEJSA-N 1 0 308.687 2.271 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000090380641 185293784 /nfs/dbraw/zinc/29/37/84/185293784.db2.gz DRWJISGHBCHLDN-UWVGGRQHSA-N 1 0 306.309 2.211 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000090423180 185295408 /nfs/dbraw/zinc/29/54/08/185295408.db2.gz NWEXMCLCTRTLLO-WDEREUQCSA-N 1 0 324.178 2.201 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090591494 185305615 /nfs/dbraw/zinc/30/56/15/185305615.db2.gz BYHSKWLZURGGFM-GXTWGEPZSA-N 1 0 317.216 2.316 10 0 DEAERO C[C@]1(C(=O)Nc2cc(C(F)(F)F)ccc2F)COC[C@H]1[NH3+] ZINC000090603847 185306094 /nfs/dbraw/zinc/30/60/94/185306094.db2.gz CCIWZXJILSMFFM-PWSUYJOCSA-N 1 0 306.259 2.147 10 0 DEAERO COCC[NH2+]C[C@@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000166758171 197697847 /nfs/dbraw/zinc/69/78/47/197697847.db2.gz MCVRHYQMDWKWFT-GWCFXTLKSA-N 1 0 315.211 2.158 10 0 DEAERO O=C(c1ccncc1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700851 185310427 /nfs/dbraw/zinc/31/04/27/185310427.db2.gz JNUQBTDFZWYWMN-OAHLLOKOSA-N 1 0 305.447 2.125 10 0 DEAERO CCC[NH2+][C@@H](CSCC(=O)OC(C)(C)C)[C@H]1CCOC1 ZINC000166928663 197701588 /nfs/dbraw/zinc/70/15/88/197701588.db2.gz FWCPIHDUHFYRGY-STQMWFEESA-N 1 0 303.468 2.466 10 0 DEAERO Cc1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c2ccccc2n1 ZINC000092345775 185313422 /nfs/dbraw/zinc/31/34/22/185313422.db2.gz LATINMHBPUBFKT-AWEZNQCLSA-N 1 0 304.415 2.210 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000092395136 185315854 /nfs/dbraw/zinc/31/58/54/185315854.db2.gz IIAFRDFKGLQQIO-GWCFXTLKSA-N 1 0 322.232 2.340 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)[NH+](C)C ZINC000092426884 185317550 /nfs/dbraw/zinc/31/75/50/185317550.db2.gz CJOFKUXJNAKVHG-AWEZNQCLSA-N 1 0 309.385 2.196 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(C(=O)OCC)cc1O)[NH+](C)C ZINC000092551966 185325449 /nfs/dbraw/zinc/32/54/49/185325449.db2.gz CAZVMZSVEGMLIC-CYBMUJFWSA-N 1 0 308.378 2.238 10 0 DEAERO COC(=O)c1coc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000184262043 282250747 /nfs/dbraw/zinc/25/07/47/282250747.db2.gz DQOAAGPVZBEKHP-UHFFFAOYSA-N 1 0 322.405 2.260 10 0 DEAERO CC[NH+]1CCN(c2cccc(NC(=O)[C@H](C)COC)c2)CC1 ZINC000184257737 282249954 /nfs/dbraw/zinc/24/99/54/282249954.db2.gz KXNIFKFJEUGZNR-CQSZACIVSA-N 1 0 305.422 2.050 10 0 DEAERO CCS(=O)(=O)CCC[C@@H](Cc1ccc(F)c(F)c1)[NH2+]C ZINC000167582164 197710298 /nfs/dbraw/zinc/71/02/98/197710298.db2.gz XYHABYOZTVHOKA-LBPRGKRZSA-N 1 0 305.390 2.310 10 0 DEAERO COCc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)o1 ZINC000096989451 185395254 /nfs/dbraw/zinc/39/52/54/185395254.db2.gz OGGYJNJRWXXEOR-UHFFFAOYSA-N 1 0 302.374 2.418 10 0 DEAERO C[NH2+][C@H](c1sccc1Br)[C@@H](C)S(C)(=O)=O ZINC000167697498 197713053 /nfs/dbraw/zinc/71/30/53/197713053.db2.gz NXOFARRQGGWXDH-SVRRBLITSA-N 1 0 312.254 2.204 10 0 DEAERO CN[C@@H]1C(=O)Nc2cc(OC3CC[NH+](C)CC3)c(Cl)cc21 ZINC000092770075 185339615 /nfs/dbraw/zinc/33/96/15/185339615.db2.gz HPFFHKQMUULOMQ-AWEZNQCLSA-N 1 0 309.797 2.026 10 0 DEAERO CC[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1nccs1 ZINC000185095579 282260008 /nfs/dbraw/zinc/26/00/08/282260008.db2.gz FXIOJJHROMYADB-ZDUSSCGKSA-N 1 0 315.398 2.480 10 0 DEAERO Cc1oc2ccccc2c1C(=O)NC[C@H](C)CN1CCOCC1 ZINC000185634828 282264170 /nfs/dbraw/zinc/26/41/70/282264170.db2.gz WZUORRTVEXMSCM-ZDUSSCGKSA-N 1 0 316.401 2.439 10 0 DEAERO C[NH2+]Cc1ccc(CS(=O)(=O)NC2C(C)(C)C2(C)C)cc1 ZINC000092833316 185344941 /nfs/dbraw/zinc/34/49/41/185344941.db2.gz DWUHVLKHIWLTSC-UHFFFAOYSA-N 1 0 310.463 2.260 10 0 DEAERO CCn1cc(C2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)cn1 ZINC000092809367 185342920 /nfs/dbraw/zinc/34/29/20/185342920.db2.gz KOFSPICDWUAXBZ-UHFFFAOYSA-N 1 0 318.446 2.443 10 0 DEAERO Cc1cc(C)n2c(C[NH+]3CCC(c4cc[nH]n4)CC3)cnc2n1 ZINC000092810833 185343085 /nfs/dbraw/zinc/34/30/85/185343085.db2.gz BONJKJCQDBETRN-UHFFFAOYSA-N 1 0 310.405 2.449 10 0 DEAERO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@](C)(O)CCC(C)C)C1 ZINC000247161665 534940701 /nfs/dbraw/zinc/94/07/01/534940701.db2.gz KQVDVZZQSZMHTR-RDJZCZTQSA-N 1 0 313.486 2.205 10 0 DEAERO [NH3+][C@@H]1CCO[C@@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000092888636 185348144 /nfs/dbraw/zinc/34/81/44/185348144.db2.gz PQMZITTVMHHPBR-MWLCHTKSSA-N 1 0 300.152 2.009 10 0 DEAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)c1cccs1 ZINC000092911497 185348424 /nfs/dbraw/zinc/34/84/24/185348424.db2.gz FOMAYDKIZYFFIX-ZFWWWQNUSA-N 1 0 323.439 2.416 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)c2ccc(C[NH+](C)C)cc2)no1 ZINC000441719829 529713191 /nfs/dbraw/zinc/71/31/91/529713191.db2.gz VBXKZSJGOXZWDW-UHFFFAOYSA-N 1 0 316.405 2.359 10 0 DEAERO COCCC[C@H](C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000181403954 199292312 /nfs/dbraw/zinc/29/23/12/199292312.db2.gz XTFMNUHEARHJQS-DOTOQJQBSA-N 1 0 306.450 2.338 10 0 DEAERO CCCn1nncc1[C@@H]([NH3+])c1cc(Cl)c(OC)c(OC)c1 ZINC000168430896 197722395 /nfs/dbraw/zinc/72/23/95/197722395.db2.gz GCORUNFLSKZUJX-ZDUSSCGKSA-N 1 0 310.785 2.407 10 0 DEAERO CC1(NS(=O)(=O)c2cc(F)c(Cl)c(C[NH3+])c2)CCC1 ZINC000168573451 197725907 /nfs/dbraw/zinc/72/59/07/197725907.db2.gz ZMOXAMJZHORLKM-UHFFFAOYSA-N 1 0 306.790 2.159 10 0 DEAERO COCCCN(C)c1cccc(Br)c1C(N)=[NH2+] ZINC000168947979 197731566 /nfs/dbraw/zinc/73/15/66/197731566.db2.gz CHMUCHKAXIKCHD-UHFFFAOYSA-N 1 0 300.200 2.206 10 0 DEAERO CN(C)c1ccc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC000448013377 529784475 /nfs/dbraw/zinc/78/44/75/529784475.db2.gz MCPIGPPAYWOTBO-AWEZNQCLSA-N 1 0 319.453 2.390 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c(C3CCC(C[NH3+])CC3)nc21 ZINC000097031611 185398976 /nfs/dbraw/zinc/39/89/76/185398976.db2.gz IZCBECDQPNMHJQ-UHFFFAOYSA-N 1 0 307.419 2.199 10 0 DEAERO C[N@@H+]1C[C@@H](C(=O)Nc2cnc3ccccc3n2)[C@H](C(F)(F)F)C1 ZINC000299746418 529816823 /nfs/dbraw/zinc/81/68/23/529816823.db2.gz XFMHDYCAJYHQEP-NXEZZACHSA-N 1 0 324.306 2.308 10 0 DEAERO O=C1CC[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)N1 ZINC000079928422 539376116 /nfs/dbraw/zinc/37/61/16/539376116.db2.gz DRRYAGCCNYASPV-AAEUAGOBSA-N 1 0 309.207 2.305 10 0 DEAERO CO[C@@H]1CN(C(=O)NCCC[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC000190487138 282321692 /nfs/dbraw/zinc/32/16/92/282321692.db2.gz VPYYNQQUTRPARU-JKSUJKDBSA-N 1 0 311.470 2.175 10 0 DEAERO COc1cc(OC)cc([C@@H]2CC[N@H+](CCC(=O)NC(C)C)C2)c1 ZINC000083249913 192368470 /nfs/dbraw/zinc/36/84/70/192368470.db2.gz DDTNDHBBWSAVMS-CQSZACIVSA-N 1 0 320.433 2.408 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCS[C@@H](C)CC1 ZINC000192257566 282340342 /nfs/dbraw/zinc/34/03/42/282340342.db2.gz FRVILQAKINOQKE-UONOGXRCSA-N 1 0 301.500 2.500 10 0 DEAERO Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3cccn3C)CCCN2C)cn1 ZINC000328622344 530005721 /nfs/dbraw/zinc/00/57/21/530005721.db2.gz BDTYGJUWRSKOAL-MAUKXSAKSA-N 1 0 315.465 2.274 10 0 DEAERO COc1ccc(Br)cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000084749778 539398417 /nfs/dbraw/zinc/39/84/17/539398417.db2.gz ZDVCQMMHJUOHRX-JTQLQIEISA-N 1 0 313.195 2.021 10 0 DEAERO C[NH+]1CCC([C@@H]2CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)CC1 ZINC000328648742 530050932 /nfs/dbraw/zinc/05/09/32/530050932.db2.gz IMSTZXFTQVBHTH-HZPDHXFCSA-N 1 0 321.465 2.466 10 0 DEAERO COc1nc(Cl)nc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC000061514295 190694202 /nfs/dbraw/zinc/69/42/02/190694202.db2.gz VMUWPFNZXZKYHH-QMTHXVAHSA-N 1 0 313.833 2.456 10 0 DEAERO C[N@H+](CC1(CO)COC1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000089124616 282381125 /nfs/dbraw/zinc/38/11/25/282381125.db2.gz NNNGGRGVJRMFAA-QGZVFWFLSA-N 1 0 316.376 2.251 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1ccccc1C ZINC000245444701 282388969 /nfs/dbraw/zinc/38/89/69/282388969.db2.gz YHTCLPIPKQZECK-MSOLQXFVSA-N 1 0 315.461 2.170 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000245501180 282392580 /nfs/dbraw/zinc/39/25/80/282392580.db2.gz BXRGACUQIIDATO-SCAQPMJSSA-N 1 0 323.481 2.460 10 0 DEAERO Cc1cc(C)n(CCCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000245587000 282398628 /nfs/dbraw/zinc/39/86/28/282398628.db2.gz AMOPTIJKJPFUCE-HOCLYGCPSA-N 1 0 321.469 2.014 10 0 DEAERO C[NH+](C)C[C@@H]1CN(c2nc(-c3cccc(Cl)c3)no2)CCO1 ZINC000108952106 185543148 /nfs/dbraw/zinc/54/31/48/185543148.db2.gz GOHRJMMSULMVSA-CYBMUJFWSA-N 1 0 322.796 2.157 10 0 DEAERO CNc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000286772989 219159244 /nfs/dbraw/zinc/15/92/44/219159244.db2.gz NRFRZTVQMYGHMK-QGZVFWFLSA-N 1 0 324.428 2.470 10 0 DEAERO CN(Cc1ccc(F)cc1Br)C[C@H]1C[NH2+]CCO1 ZINC000126874384 539479536 /nfs/dbraw/zinc/47/95/36/539479536.db2.gz QGLBKAUAAGTUKJ-GFCCVEGCSA-N 1 0 317.202 2.008 10 0 DEAERO CC(=O)N(C)c1ccccc1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000127205699 539480689 /nfs/dbraw/zinc/48/06/89/539480689.db2.gz YBPVJPOVNAHYRW-KRWDZBQOSA-N 1 0 315.417 2.482 10 0 DEAERO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(O)c1 ZINC000111244175 185563181 /nfs/dbraw/zinc/56/31/81/185563181.db2.gz ZRFARWAGJCHSLC-ZANVPECISA-N 1 0 302.296 2.111 10 0 DEAERO C[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc(C)s1 ZINC000111715044 185629629 /nfs/dbraw/zinc/62/96/29/185629629.db2.gz XXFVZFQGFYCHNR-VXGBXAGGSA-N 1 0 302.465 2.208 10 0 DEAERO CC[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000111719313 185630855 /nfs/dbraw/zinc/63/08/55/185630855.db2.gz IVRSVRGWMPYWSY-OAHLLOKOSA-N 1 0 310.463 2.314 10 0 DEAERO CC(C)N(CC(F)(F)F)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111762552 185634300 /nfs/dbraw/zinc/63/43/00/185634300.db2.gz UMESTVKATWOGKS-SECBINFHSA-N 1 0 306.250 2.328 10 0 DEAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000111720202 185631639 /nfs/dbraw/zinc/63/16/39/185631639.db2.gz RVXMXRVTYNQONK-OAHLLOKOSA-N 1 0 310.463 2.456 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccoc2Br)C[C@@H]1[NH+](C)C ZINC000235376052 201915713 /nfs/dbraw/zinc/91/57/13/201915713.db2.gz LPEXNXDLZIFETB-SCZZXKLOSA-N 1 0 301.184 2.064 10 0 DEAERO C[NH2+][C@@H](CCO)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000095075702 290805255 /nfs/dbraw/zinc/80/52/55/290805255.db2.gz PAHIEYCZCQNBIQ-JKSUJKDBSA-N 1 0 306.406 2.148 10 0 DEAERO COc1cccc2c1CC[C@H]([NH2+][C@H]1CCC[C@@H](C(N)=O)C1)C2 ZINC000249024094 282544097 /nfs/dbraw/zinc/54/40/97/282544097.db2.gz LEZKSGAFEPKDPG-ILXRZTDVSA-N 1 0 302.418 2.186 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2cc3cc(OC)ccc3o2)CC1 ZINC000123622285 185826475 /nfs/dbraw/zinc/82/64/75/185826475.db2.gz VHMNRKNQHCTOKS-OAHLLOKOSA-N 1 0 318.417 2.330 10 0 DEAERO Cc1cc(Oc2cccc(S(C)(=O)=O)c2)ccc1C(N)=[NH2+] ZINC000126562190 185873836 /nfs/dbraw/zinc/87/38/36/185873836.db2.gz UCZHCHWWEOZRPY-UHFFFAOYSA-N 1 0 304.371 2.475 10 0 DEAERO CO[C@@H]1CN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC[C@H]1C ZINC000251900837 282590939 /nfs/dbraw/zinc/59/09/39/282590939.db2.gz QZNNTVCHOCUSBE-OWCLPIDISA-N 1 0 311.470 2.317 10 0 DEAERO CC(C)(C(=O)N[C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000126931486 185905211 /nfs/dbraw/zinc/90/52/11/185905211.db2.gz VHCLEGZFXKHKBB-GFCCVEGCSA-N 1 0 311.223 2.205 10 0 DEAERO CC(C)(C)OC(=O)NCCN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000616668985 362906485 /nfs/dbraw/zinc/90/64/85/362906485.db2.gz MDNDXJQWIIUEBW-CQSZACIVSA-N 1 0 305.422 2.291 10 0 DEAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000180121149 539644128 /nfs/dbraw/zinc/64/41/28/539644128.db2.gz MIEHRZQPTZCFTO-OAHLLOKOSA-N 1 0 316.453 2.103 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)CC2CC2)cc1OC ZINC000180839859 539647021 /nfs/dbraw/zinc/64/70/21/539647021.db2.gz PIXKRAIHGVHPED-GFCCVEGCSA-N 1 0 306.406 2.223 10 0 DEAERO Cn1c(CN2CCC([NH+]3CCCC3)CC2)nnc1C1CCC1 ZINC000181104968 539649544 /nfs/dbraw/zinc/64/95/44/539649544.db2.gz BAHMFXVKQZXOAQ-UHFFFAOYSA-N 1 0 303.454 2.143 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(C2CC2)nc1 ZINC000181871968 539654448 /nfs/dbraw/zinc/65/44/48/539654448.db2.gz CWGIACVWMOZIRH-LSDHHAIUSA-N 1 0 315.421 2.445 10 0 DEAERO CCN(Cc1cccc2cnccc21)[C@@H](C)CS(C)(=O)=O ZINC000183303015 539661043 /nfs/dbraw/zinc/66/10/43/539661043.db2.gz KHLLBWXRYASQFN-ZDUSSCGKSA-N 1 0 306.431 2.490 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000070575139 190907251 /nfs/dbraw/zinc/90/72/51/190907251.db2.gz OZIRHCFLPQDSQS-MWLCHTKSSA-N 1 0 309.797 2.156 10 0 DEAERO CC[C@@H](C)[NH2+]C[C@@H](C)n1cc(I)cn1 ZINC000070679168 190911405 /nfs/dbraw/zinc/91/14/05/190911405.db2.gz CIXBPALHEHHSLA-RKDXNWHRSA-N 1 0 307.179 2.437 10 0 DEAERO CC[C@H]1CN(c2ncnc3c(C)csc32)CC[N@@H+]1C[C@@H](C)O ZINC000189979936 539692119 /nfs/dbraw/zinc/69/21/19/539692119.db2.gz MJMFWNKVHRGPKV-OLZOCXBDSA-N 1 0 320.462 2.281 10 0 DEAERO Cc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccn1C ZINC000192547802 539707640 /nfs/dbraw/zinc/70/76/40/539707640.db2.gz OJVBFBVKBKVLJE-WMLDXEAASA-N 1 0 301.434 2.422 10 0 DEAERO C[NH2+][C@@H](Cc1sccc1Br)[C@H]1COCCO1 ZINC000083743262 192380466 /nfs/dbraw/zinc/38/04/66/192380466.db2.gz HRANBUSOZMZGJA-VHSXEESVSA-N 1 0 306.225 2.057 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(C(F)(F)F)ccn2)C1 ZINC000192424572 539706368 /nfs/dbraw/zinc/70/63/68/539706368.db2.gz UMQUIVXYKVAIFT-SNVBAGLBSA-N 1 0 302.300 2.268 10 0 DEAERO [NH3+]C[C@@H](NC[C@@H]1CCCO1)c1cc(Br)cs1 ZINC000083774351 192383044 /nfs/dbraw/zinc/38/30/44/192383044.db2.gz NBSGKZQJYLGWFH-VHSXEESVSA-N 1 0 305.241 2.279 10 0 DEAERO C[C@@H](CNC(=O)[C@H](C)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000193814792 539715547 /nfs/dbraw/zinc/71/55/47/539715547.db2.gz BZCUQIMIJOPAAV-HOTGVXAUSA-N 1 0 317.477 2.321 10 0 DEAERO O=S(=O)(c1ccc(N[C@H]2CCC[NH2+]C2)cc1)C(F)(F)F ZINC000071397777 190967068 /nfs/dbraw/zinc/96/70/68/190967068.db2.gz GYMBCAGBZSYWDY-JTQLQIEISA-N 1 0 308.325 2.144 10 0 DEAERO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(Br)cn1C1CC1 ZINC000071397068 190967085 /nfs/dbraw/zinc/96/70/85/190967085.db2.gz YJAVACQFGRODQV-SNVBAGLBSA-N 1 0 312.211 2.067 10 0 DEAERO C[C@H](O)[C@](C)(C[NH3+])Cc1ccc(I)cc1 ZINC000083851919 192388460 /nfs/dbraw/zinc/38/84/60/192388460.db2.gz FJQIIAMFCAWHAU-CABZTGNLSA-N 1 0 319.186 2.180 10 0 DEAERO CC[NH2+][C@@H](C[S@@](=O)C1CCOCC1)c1ccc(OC)cc1 ZINC000084055308 192398181 /nfs/dbraw/zinc/39/81/81/192398181.db2.gz BOJBRCCLLLIWDR-KKSFZXQISA-N 1 0 311.447 2.274 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H](CSC)[NH2+]C ZINC000084279486 192419784 /nfs/dbraw/zinc/41/97/84/192419784.db2.gz FQKIWNNZRRMIFY-SECBINFHSA-N 1 0 306.273 2.467 10 0 DEAERO CC[C@@H]([NH3+])c1nc2cc(F)ccc2n1CC(=O)NCC(C)C ZINC000071664532 191000117 /nfs/dbraw/zinc/00/01/17/191000117.db2.gz JFUCPZUMOHFDMY-GFCCVEGCSA-N 1 0 306.385 2.357 10 0 DEAERO C[NH2+]CCc1nc2cc(C)ccc2n1CC(=O)N1CCCCC1 ZINC000071667003 191002028 /nfs/dbraw/zinc/00/20/28/191002028.db2.gz ADTOBAVBKUJCTA-UHFFFAOYSA-N 1 0 314.433 2.119 10 0 DEAERO COc1cccc2c1CN(CCc1c(C)nn(C)c1C)[C@@H]2C[NH3+] ZINC000071683161 191006793 /nfs/dbraw/zinc/00/67/93/191006793.db2.gz NUCMYTJZVKZNMM-QGZVFWFLSA-N 1 0 314.433 2.104 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)CC[C@@H]1C ZINC000139334337 186021503 /nfs/dbraw/zinc/02/15/03/186021503.db2.gz FLAPVCMRNNHYGL-UWVGGRQHSA-N 1 0 318.389 2.090 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](c2nc(-c3ccc(Br)cn3)no2)C1 ZINC000139800618 186023718 /nfs/dbraw/zinc/02/37/18/186023718.db2.gz LAORIQLYJMVNCE-IONNQARKSA-N 1 0 307.151 2.265 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1c1nc(-c2ccc(Br)cn2)no1 ZINC000139843450 186024657 /nfs/dbraw/zinc/02/46/57/186024657.db2.gz POHTYZXAMMEPFX-RKDXNWHRSA-N 1 0 309.167 2.489 10 0 DEAERO Cc1ccc([C@@H]2NC3(CCCC3)C(=O)N2CC[NH+](C)C)s1 ZINC000140014630 186025671 /nfs/dbraw/zinc/02/56/71/186025671.db2.gz PSPYFUSWPOFPFT-CQSZACIVSA-N 1 0 307.463 2.361 10 0 DEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147723477 186041130 /nfs/dbraw/zinc/04/11/30/186041130.db2.gz YQFPXOBVWQURQL-VNHYZAJKSA-N 1 0 308.447 2.107 10 0 DEAERO COC(=O)[C@H](C)[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000262263089 282673944 /nfs/dbraw/zinc/67/39/44/282673944.db2.gz GWUIQNORDOQPIA-OEAJRASXSA-N 1 0 318.417 2.171 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147717954 186041542 /nfs/dbraw/zinc/04/15/42/186041542.db2.gz KVDZVBCUKGFLSF-VHDGCEQUSA-N 1 0 308.447 2.107 10 0 DEAERO C[N@H+](CCN1CC(=O)N[C@@H]2CCCC[C@H]21)Cc1ccc(F)cc1 ZINC000248540548 539774268 /nfs/dbraw/zinc/77/42/68/539774268.db2.gz BGYTUROCQLDYNR-IAGOWNOFSA-N 1 0 319.424 2.001 10 0 DEAERO C[C@@H]1OCC[C@]1(C[NH3+])N(C)Cc1ccccc1Br ZINC000147946671 186042481 /nfs/dbraw/zinc/04/24/81/186042481.db2.gz ZBDKHNITJOIEEC-SMDDNHRTSA-N 1 0 313.239 2.387 10 0 DEAERO COc1ccc(OC)c(C[N@H+](CCCNC(C)=O)C2CC2)c1 ZINC000142746402 186032520 /nfs/dbraw/zinc/03/25/20/186032520.db2.gz UMDHLDCYDGGHND-UHFFFAOYSA-N 1 0 306.406 2.194 10 0 DEAERO CC(C)[C@@H]1N[C@@H](c2cccs2)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000142842312 186032680 /nfs/dbraw/zinc/03/26/80/186032680.db2.gz XWNILNQOCYAEEJ-VHDGCEQUSA-N 1 0 307.463 2.297 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](C)C(=O)N2[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000144650457 186035662 /nfs/dbraw/zinc/03/56/62/186035662.db2.gz CJVLHACZABDDTP-UXIGCNINSA-N 1 0 305.447 2.112 10 0 DEAERO CCC[NH2+]Cc1sccc1S(=O)(=O)N(C)C1CCC1 ZINC000144666412 186035720 /nfs/dbraw/zinc/03/57/20/186035720.db2.gz HBASYDZCKOMIKX-UHFFFAOYSA-N 1 0 302.465 2.421 10 0 DEAERO C[C@H](O)C(C)(C)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000144953762 186036215 /nfs/dbraw/zinc/03/62/15/186036215.db2.gz UNWYDFIBPQHPSB-CABZTGNLSA-N 1 0 302.212 2.232 10 0 DEAERO CC(C)C[C@@H]1N[C@@H](c2ccsc2)N([C@@H]2CC[N@H+](C)C2)C1=O ZINC000145224062 186036685 /nfs/dbraw/zinc/03/66/85/186036685.db2.gz UNZQVGSQWDRZLW-QLFBSQMISA-N 1 0 307.463 2.297 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](C)C(=O)N2[C@@H](C[NH+](C)C)C(C)C)s1 ZINC000145031120 186036878 /nfs/dbraw/zinc/03/68/78/186036878.db2.gz GVGDOLRPTAFQIN-VNHYZAJKSA-N 1 0 309.479 2.462 10 0 DEAERO C[C@H](C[NH+]1CCCC1)N1C(=O)C2(CC2)N[C@@H]1c1ccsc1 ZINC000145809675 186037967 /nfs/dbraw/zinc/03/79/67/186037967.db2.gz BHZZVKOXTQAGCT-OCCSQVGLSA-N 1 0 305.447 2.195 10 0 DEAERO [NH3+][C@@H](c1sccc1Br)[C@H]1CN2CCC[C@@H]2CO1 ZINC000147274069 186038845 /nfs/dbraw/zinc/03/88/45/186038845.db2.gz DLTZADOBQMPTED-FBIMIBRVSA-N 1 0 317.252 2.374 10 0 DEAERO Cc1cccc(O[C@H](C)C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000149195001 186048375 /nfs/dbraw/zinc/04/83/75/186048375.db2.gz WVAIGHARRTUARD-OAHLLOKOSA-N 1 0 302.418 2.459 10 0 DEAERO C[C@@H](CS(=O)(=O)N(C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000149261096 186048594 /nfs/dbraw/zinc/04/85/94/186048594.db2.gz ANKTYZZXXKWRAV-JEYLPNPQSA-N 1 0 310.463 2.322 10 0 DEAERO C[C@H](CS(=O)(=O)N[C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000149374680 186049641 /nfs/dbraw/zinc/04/96/41/186049641.db2.gz FVAQHDVQRIEQKV-YCPHGPKFSA-N 1 0 310.463 2.240 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000149791533 186053079 /nfs/dbraw/zinc/05/30/79/186053079.db2.gz LYCNUKNQBQMNFU-JTQLQIEISA-N 1 0 307.785 2.234 10 0 DEAERO CCCNc1nc(Cl)nc(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000149935992 186053708 /nfs/dbraw/zinc/05/37/08/186053708.db2.gz UBVQWRWQBJGREM-NSHDSACASA-N 1 0 310.833 2.021 10 0 DEAERO c1nc(-c2noc([C@H]3CCCN3C3CC[NH2+]CC3)n2)cs1 ZINC000150244866 186055904 /nfs/dbraw/zinc/05/59/04/186055904.db2.gz AKOYRAHPGXHPDC-GFCCVEGCSA-N 1 0 305.407 2.082 10 0 DEAERO C/C=C\c1ccc(OCC(=O)NCC[NH+]2CCCC2)c(OC)c1 ZINC000255910503 539786576 /nfs/dbraw/zinc/78/65/76/539786576.db2.gz LMQBRGSXHGSERP-UTCJRWHESA-N 1 0 318.417 2.319 10 0 DEAERO C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C(=O)OC(C)(C)C ZINC000152628462 186091122 /nfs/dbraw/zinc/09/11/22/186091122.db2.gz LDDVFALIJVNVDV-UKRRQHHQSA-N 1 0 320.433 2.006 10 0 DEAERO COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000171182044 197893570 /nfs/dbraw/zinc/89/35/70/197893570.db2.gz WZCUERVMXCYVPV-CABCVRRESA-N 1 0 302.374 2.030 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cc(C)ccc2Br)C1 ZINC000163970572 186143892 /nfs/dbraw/zinc/14/38/92/186143892.db2.gz KRJXDMHAABPPSA-SKDRFNHKSA-N 1 0 313.195 2.073 10 0 DEAERO Cc1ccc(Br)c(NC(=O)[C@]2(C)COC[C@H]2[NH3+])c1 ZINC000163966705 186144066 /nfs/dbraw/zinc/14/40/66/186144066.db2.gz FMSDPADXUWQUGQ-DGCLKSJQSA-N 1 0 313.195 2.060 10 0 DEAERO C[C@H]([NH3+])Cc1cn(Cc2ncnn2C)c2cc(Cl)ccc12 ZINC000164149750 186150409 /nfs/dbraw/zinc/15/04/09/186150409.db2.gz WSVDSVVNXSIDJY-JTQLQIEISA-N 1 0 303.797 2.361 10 0 DEAERO COCC[NH2+]C[C@H]1CCCN1c1ccncc1Br ZINC000164151405 186150494 /nfs/dbraw/zinc/15/04/94/186150494.db2.gz MFJMJBDKSYOCDF-LLVKDONJSA-N 1 0 314.227 2.049 10 0 DEAERO CNC(=O)c1ccn(-c2ccc(C[NH2+]C3CC3)cc2Cl)n1 ZINC000164212549 186151834 /nfs/dbraw/zinc/15/18/34/186151834.db2.gz BSXFIRVRBSPLGH-UHFFFAOYSA-N 1 0 304.781 2.137 10 0 DEAERO CCOC(=O)[C@H](C(=O)N[C@H](C)C[NH+](CC)CC)C(C)(C)C ZINC000164322400 186155855 /nfs/dbraw/zinc/15/58/55/186155855.db2.gz HSWKOFQDMLSMQS-OLZOCXBDSA-N 1 0 300.443 2.058 10 0 DEAERO Cc1csc2nc(C[N@@H+](C)[C@]3(CO)CC[C@H](C)C3)cc(=O)n12 ZINC000188001865 186242107 /nfs/dbraw/zinc/24/21/07/186242107.db2.gz JRMJLTSUFSGYTE-MEDUHNTESA-N 1 0 321.446 2.047 10 0 DEAERO C[C@](O)(C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1)c1ccccc1 ZINC000183888412 186227826 /nfs/dbraw/zinc/22/78/26/186227826.db2.gz YRJKQNDUJKTRKI-IRXDYDNUSA-N 1 0 305.418 2.369 10 0 DEAERO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ncnn2CC(F)F)C1 ZINC000225615108 186283769 /nfs/dbraw/zinc/28/37/69/186283769.db2.gz LSORRSHSCUUZFC-XHDPSFHLSA-N 1 0 316.396 2.210 10 0 DEAERO COCCOc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171888735 198002186 /nfs/dbraw/zinc/00/21/86/198002186.db2.gz YHXUXYYRBLWJPO-OAHLLOKOSA-N 1 0 319.405 2.024 10 0 DEAERO Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1N(C)C ZINC000171889144 198002328 /nfs/dbraw/zinc/00/23/28/198002328.db2.gz WBBQITHNCKJMAE-OAHLLOKOSA-N 1 0 302.422 2.373 10 0 DEAERO CC(C)(C)c1ncc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000171891973 198002955 /nfs/dbraw/zinc/00/29/55/198002955.db2.gz AOGLKTHBVDFDBH-CYBMUJFWSA-N 1 0 303.410 2.086 10 0 DEAERO O=C(NCCOc1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171898620 198004302 /nfs/dbraw/zinc/00/43/02/198004302.db2.gz NMPORGCHQHFPRK-AWEZNQCLSA-N 1 0 323.824 2.208 10 0 DEAERO O=C(NCCc1cccc(Cl)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171898259 198004406 /nfs/dbraw/zinc/00/44/06/198004406.db2.gz QDCQQHRRIBIUJS-OAHLLOKOSA-N 1 0 307.825 2.372 10 0 DEAERO O=C(C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O)Nc1ccc(Cl)cc1 ZINC000172035994 198029872 /nfs/dbraw/zinc/02/98/72/198029872.db2.gz PSNVQQXWNVIEOI-HBBFGDNQSA-N 1 0 308.809 2.371 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)C1CCCC1 ZINC000172168292 198050612 /nfs/dbraw/zinc/05/06/12/198050612.db2.gz VCXYIYJLVQQIKA-NEPJUHHUSA-N 1 0 303.406 2.281 10 0 DEAERO CC1CCC([NH+]2CCN(C(=O)N[C@@H]3CCCOC3)CC2)CC1 ZINC000172150692 198047250 /nfs/dbraw/zinc/04/72/50/198047250.db2.gz BSULBSKKRTWSFU-HWOWSKLDSA-N 1 0 309.454 2.071 10 0 DEAERO C[C@@H]1CSCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000172559250 198114873 /nfs/dbraw/zinc/11/48/73/198114873.db2.gz ZOFUZSKOKOWVDJ-GDBMZVCRSA-N 1 0 321.490 2.306 10 0 DEAERO CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000617414507 363125870 /nfs/dbraw/zinc/12/58/70/363125870.db2.gz KHMVQUTZSKRQES-MRXNPFEDSA-N 1 0 318.417 2.259 10 0 DEAERO C[C@H](O)C1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172801865 198151084 /nfs/dbraw/zinc/15/10/84/198151084.db2.gz ANXRNLOPMTWBSW-XJKSGUPXSA-N 1 0 304.390 2.105 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(Cl)cn2)CC[N@@H+]1C ZINC000172847997 198157685 /nfs/dbraw/zinc/15/76/85/198157685.db2.gz PUNYMNPMIBODAL-DGCLKSJQSA-N 1 0 310.829 2.088 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1cncc(F)c1 ZINC000329326641 539918102 /nfs/dbraw/zinc/91/81/02/539918102.db2.gz JMHFRXNCWRAUNS-APHBMKBZSA-N 1 0 321.396 2.041 10 0 DEAERO CCOC[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000072838891 191236072 /nfs/dbraw/zinc/23/60/72/191236072.db2.gz JXXVLOJSHNLBEB-ZWKOTPCHSA-N 1 0 318.461 2.434 10 0 DEAERO Cc1ncc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)s1 ZINC000329553219 539923026 /nfs/dbraw/zinc/92/30/26/539923026.db2.gz DFCTVRNYXFQFIT-YGRLFVJLSA-N 1 0 306.391 2.427 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000173272598 198204760 /nfs/dbraw/zinc/20/47/60/198204760.db2.gz GSUVGYOPDFXWOD-AAEUAGOBSA-N 1 0 316.854 2.443 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1OC ZINC000173306903 198206092 /nfs/dbraw/zinc/20/60/92/198206092.db2.gz BBRKXMJMORBHHM-UONOGXRCSA-N 1 0 308.422 2.075 10 0 DEAERO Cc1cccc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000333175733 539950663 /nfs/dbraw/zinc/95/06/63/539950663.db2.gz QWPCXWRKVSVBRH-ZBFHGGJFSA-N 1 0 318.421 2.140 10 0 DEAERO O=C(NCCSc1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173501500 198221880 /nfs/dbraw/zinc/22/18/80/198221880.db2.gz YCHIJQIQFCMPCN-HNNXBMFYSA-N 1 0 317.458 2.434 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(CCCc2cccc(OC)c2)CC1 ZINC000174081618 198289403 /nfs/dbraw/zinc/28/94/03/198289403.db2.gz CDVWCIGHRDNKTD-KRWDZBQOSA-N 1 0 306.450 2.016 10 0 DEAERO CC[C@H]1CN(C(=O)Cc2ccccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000174604851 198357819 /nfs/dbraw/zinc/35/78/19/198357819.db2.gz VQSWNHUDCSJJRZ-HIFRSBDPSA-N 1 0 324.852 2.186 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(OCC(=O)OCC)cc1)[NH+](C)C ZINC000182175988 199398745 /nfs/dbraw/zinc/39/87/45/199398745.db2.gz NKRMQMOTWCTZNY-HNNXBMFYSA-N 1 0 322.405 2.297 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000333534232 282943993 /nfs/dbraw/zinc/94/39/93/282943993.db2.gz IITKNFJISIOTNA-UKMLZYKCSA-N 1 0 303.406 2.038 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCC2(CC1)OCCO2 ZINC000028077591 354098883 /nfs/dbraw/zinc/09/88/83/354098883.db2.gz OKZHIMPSEOYTNR-LSDHHAIUSA-N 1 0 318.417 2.091 10 0 DEAERO [NH3+]CC[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1 ZINC000036154728 354164537 /nfs/dbraw/zinc/16/45/37/354164537.db2.gz DMXDPXLLVJTFAK-QGZVFWFLSA-N 1 0 316.426 2.324 10 0 DEAERO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC(=O)NC2CC2)cc1C ZINC000063619274 354650317 /nfs/dbraw/zinc/65/03/17/354650317.db2.gz MQIIIZHXFAYPRK-INIZCTEOSA-N 1 0 315.417 2.429 10 0 DEAERO Cc1c(Br)cccc1C(=O)N(C)CC1C[NH+](C)C1 ZINC000618193063 363409350 /nfs/dbraw/zinc/40/93/50/363409350.db2.gz HYLLYIXCIXHYER-UHFFFAOYSA-N 1 0 311.223 2.391 10 0 DEAERO CN(CC1C[NH+](C)C1)C(=O)c1ccc(Br)s1 ZINC000618197208 363412856 /nfs/dbraw/zinc/41/28/56/363412856.db2.gz ATEIZUIRUOUDRJ-UHFFFAOYSA-N 1 0 303.225 2.144 10 0 DEAERO O=c1[nH]c(-c2cnccn2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000073696350 191343044 /nfs/dbraw/zinc/34/30/44/191343044.db2.gz ADEYHUMMTZCDRA-UHFFFAOYSA-N 1 0 319.368 2.198 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCCC(C)(C)CO ZINC000073722604 191348645 /nfs/dbraw/zinc/34/86/45/191348645.db2.gz KVHPCVNEQZQTBK-CQSZACIVSA-N 1 0 301.475 2.061 10 0 DEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)n1nc(C)c(Br)c1C ZINC000085262399 192485795 /nfs/dbraw/zinc/48/57/95/192485795.db2.gz ZEAGJPSXZUBFQT-PRHODGIISA-N 1 0 304.232 2.184 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2CC[NH+]([C@H](C)C3CC3)CC2)c1 ZINC000074884373 191379571 /nfs/dbraw/zinc/37/95/71/191379571.db2.gz WDHOFYUKHOYESD-CYBMUJFWSA-N 1 0 315.417 2.201 10 0 DEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390871157 540135350 /nfs/dbraw/zinc/13/53/50/540135350.db2.gz GEJOIMPWFBOQNJ-ZWKOTPCHSA-N 1 0 320.477 2.274 10 0 DEAERO CO[C@]1(CO)CCC[N@H+](Cc2ccccc2Br)C1 ZINC000401772893 540142469 /nfs/dbraw/zinc/14/24/69/540142469.db2.gz KPCVMIBKAUHFFK-CQSZACIVSA-N 1 0 314.223 2.422 10 0 DEAERO CC(C)(C)c1nccc(N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000085689356 355495542 /nfs/dbraw/zinc/49/55/42/355495542.db2.gz DESKAAOMJBWRNV-HUUCEWRRSA-N 1 0 318.465 2.200 10 0 DEAERO C[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc(F)c(Cl)c1 ZINC000089519302 355535524 /nfs/dbraw/zinc/53/55/24/355535524.db2.gz FDYYNYNNWAKVFG-SNVBAGLBSA-N 1 0 320.817 2.165 10 0 DEAERO CNC(=O)c1cccnc1N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000091482332 355599322 /nfs/dbraw/zinc/59/93/22/355599322.db2.gz NXWHLSTVFVKDFG-HNNXBMFYSA-N 1 0 316.449 2.286 10 0 DEAERO COc1ccc2c(CC(=O)NC[C@H]3CCC[N@H+](C)C3)coc2c1 ZINC000108335715 355734751 /nfs/dbraw/zinc/73/47/51/355734751.db2.gz LYZRTXJFERFCEP-CYBMUJFWSA-N 1 0 316.401 2.442 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000113266982 355758362 /nfs/dbraw/zinc/75/83/62/355758362.db2.gz IPJPICUKAFHZRE-AWEZNQCLSA-N 1 0 313.239 2.259 10 0 DEAERO CC(C)C(=O)N1CCC([NH2+][C@@H](c2nccn2C)C2CC2)CC1 ZINC000127564937 355822726 /nfs/dbraw/zinc/82/27/26/355822726.db2.gz VSJBOVGZODBIKO-OAHLLOKOSA-N 1 0 304.438 2.108 10 0 DEAERO COC[C@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)C1CC1)CC2 ZINC000169786856 355983640 /nfs/dbraw/zinc/98/36/40/355983640.db2.gz BBBZELXEHUROIJ-OAHLLOKOSA-N 1 0 306.450 2.136 10 0 DEAERO CC(=O)NC[C@H]1CCN(Cc2cccc(Cl)c2)C[C@H]1[NH+](C)C ZINC000169788817 355983794 /nfs/dbraw/zinc/98/37/94/355983794.db2.gz CWXHKKSROZOMSK-NVXWUHKLSA-N 1 0 323.868 2.228 10 0 DEAERO COc1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1F ZINC000170826820 355994438 /nfs/dbraw/zinc/99/44/38/355994438.db2.gz NWXKEIZYUVVVIE-WCQYABFASA-N 1 0 309.385 2.241 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)Cc2ccncc2)CC1 ZINC000157712911 355956448 /nfs/dbraw/zinc/95/64/48/355956448.db2.gz TXWWCKWROMBVBB-UHFFFAOYSA-N 1 0 304.438 2.345 10 0 DEAERO O=C(c1ccccc1Cl)N1CCC([NH2+]C2(CO)CC2)CC1 ZINC000180053448 356040318 /nfs/dbraw/zinc/04/03/18/356040318.db2.gz HIWOYFNCJNKTPH-UHFFFAOYSA-N 1 0 308.809 2.059 10 0 DEAERO CC(C)OC(=O)CC[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182041132 356106466 /nfs/dbraw/zinc/10/64/66/356106466.db2.gz BVHPAJUFTHVVIE-CYBMUJFWSA-N 1 0 302.378 2.260 10 0 DEAERO CC(C)(C)CS(=O)(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000080191517 192011040 /nfs/dbraw/zinc/01/10/40/192011040.db2.gz JSXNHAFHNSZJKD-ZDUSSCGKSA-N 1 0 302.484 2.407 10 0 DEAERO COCCOc1ccc([C@@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000184276203 356188954 /nfs/dbraw/zinc/18/89/54/356188954.db2.gz ASIVDWAOCCVPOI-CQSZACIVSA-N 1 0 304.394 2.044 10 0 DEAERO CC(C)[C@H]1C[C@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000185590988 356208421 /nfs/dbraw/zinc/20/84/21/356208421.db2.gz RMISRKWBYKWHIX-IAGOWNOFSA-N 1 0 308.466 2.382 10 0 DEAERO CCn1c(C)nnc1CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693330 356209118 /nfs/dbraw/zinc/20/91/18/356209118.db2.gz IETQDATXFXFODV-HIFRSBDPSA-N 1 0 305.470 2.349 10 0 DEAERO COC(=O)[C@H](C)C[N@H+](Cc1cnn(C)c1)Cc1ccccc1 ZINC000195125458 356249593 /nfs/dbraw/zinc/24/95/93/356249593.db2.gz BITJKSVLGFDZFQ-CQSZACIVSA-N 1 0 301.390 2.231 10 0 DEAERO O=C(Nc1ccc(OC2C[NH2+]C2)cc1)N1CC(c2cccnc2)C1 ZINC000224888595 356275810 /nfs/dbraw/zinc/27/58/10/356275810.db2.gz LUDZAZCFGSZZTR-UHFFFAOYSA-N 1 0 324.384 2.064 10 0 DEAERO CC(C)c1nnc(CN2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000195007894 356247967 /nfs/dbraw/zinc/24/79/67/356247967.db2.gz XXYGRTACMGUCCF-UHFFFAOYSA-N 1 0 313.449 2.256 10 0 DEAERO Clc1ccc(NC2C[NH2+]C2)c(I)c1 ZINC000232235969 356285071 /nfs/dbraw/zinc/28/50/71/356285071.db2.gz MKOBSTAZJGYCFA-UHFFFAOYSA-N 1 0 308.550 2.328 10 0 DEAERO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085359431 192494700 /nfs/dbraw/zinc/49/47/00/192494700.db2.gz ZDBMSTYHHRENOA-ZYHUDNBSSA-N 1 0 309.797 2.108 10 0 DEAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000262638964 356343161 /nfs/dbraw/zinc/34/31/61/356343161.db2.gz YKTOCEJCGDBWEY-QEJZJMRPSA-N 1 0 315.417 2.118 10 0 DEAERO COC[C@H]1CC[N@H+](Cc2nc3sc(C)c(C)c3c(N)n2)C1 ZINC000081114597 192228315 /nfs/dbraw/zinc/22/83/15/192228315.db2.gz DHFFZUFYKJBKGK-NSHDSACASA-N 1 0 306.435 2.359 10 0 DEAERO C[C@@H]([NH2+]CCN1CC=CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400340861 283156007 /nfs/dbraw/zinc/15/60/07/283156007.db2.gz FQFWXHFRXDRMNK-HZPDHXFCSA-N 1 0 323.481 2.483 10 0 DEAERO C[C@H]([NH2+]CCc1ccn(C)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400341760 283156110 /nfs/dbraw/zinc/15/61/10/283156110.db2.gz GXTAXDVGGAWWKG-KBPBESRZSA-N 1 0 322.453 2.198 10 0 DEAERO CC(C)[C@H](CO)C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400391036 283156155 /nfs/dbraw/zinc/15/61/55/283156155.db2.gz OEQWITASNAAROG-ILXRZTDVSA-N 1 0 314.470 2.486 10 0 DEAERO Cc1ccc(Br)cc1C[NH2+]CC1(O)CCOCC1 ZINC000313690729 356414289 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CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCn2cnnc2C1 ZINC000081530474 192285094 /nfs/dbraw/zinc/28/50/94/192285094.db2.gz JLEADOIOMFUNCH-UKRRQHHQSA-N 1 0 305.813 2.226 10 0 DEAERO COCC[C@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000081714831 192316682 /nfs/dbraw/zinc/31/66/82/192316682.db2.gz WGYHJDXIDUGOEN-STQMWFEESA-N 1 0 301.814 2.403 10 0 DEAERO c1[nH+]cn2ccc(-c3noc(COC[C@@H]4CCCO4)n3)cc12 ZINC000351085254 356609394 /nfs/dbraw/zinc/60/93/94/356609394.db2.gz KFDPUIUDPKEVCI-ZDUSSCGKSA-N 1 0 300.318 2.080 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000236938297 202081550 /nfs/dbraw/zinc/08/15/50/202081550.db2.gz URAGUVNMUKQMCX-IAQYHMDHSA-N 1 0 323.462 2.179 10 0 DEAERO CCOc1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000236981349 202107189 /nfs/dbraw/zinc/10/71/89/202107189.db2.gz HQEDLMWZFGBZHY-ZDUSSCGKSA-N 1 0 306.381 2.230 10 0 DEAERO Ic1cnc(CC2CC[NH2+]CC2)s1 ZINC000402015980 356728739 /nfs/dbraw/zinc/72/87/39/356728739.db2.gz CYADSJMTIVGDKX-UHFFFAOYSA-N 1 0 308.188 2.290 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)Cc2ccccc2F)C1 ZINC000393335252 356712624 /nfs/dbraw/zinc/71/26/24/356712624.db2.gz WOOBSRVBPLKHEZ-ZYHUDNBSSA-N 1 0 304.287 2.249 10 0 DEAERO CN(CC[NH+]1CCCC1)C(=O)c1ncsc1Br ZINC000579512091 356988028 /nfs/dbraw/zinc/98/80/28/356988028.db2.gz RSGZQDMDAPKIDU-UHFFFAOYSA-N 1 0 318.240 2.073 10 0 DEAERO COc1ccccc1[C@H](NC(=O)C1CC[NH2+]CC1)c1ccco1 ZINC000237273510 202212291 /nfs/dbraw/zinc/21/22/91/202212291.db2.gz YIXOKBXCNHQGLR-KRWDZBQOSA-N 1 0 314.385 2.493 10 0 DEAERO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(CCC[NH3+])cc2)C1 ZINC000088919087 192658438 /nfs/dbraw/zinc/65/84/38/192658438.db2.gz OOWGCKPIYMWFLG-KBPBESRZSA-N 1 0 310.463 2.245 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCc3ccccc32)c(C)o1 ZINC000088918588 192658708 /nfs/dbraw/zinc/65/87/08/192658708.db2.gz HYCBQUYNVAHSOX-UHFFFAOYSA-N 1 0 306.387 2.059 10 0 DEAERO CC[NH2+]Cc1c(F)ccc(S(=O)(=O)N(C)[C@@H](C)CC)c1F ZINC000088948867 192664466 /nfs/dbraw/zinc/66/44/66/192664466.db2.gz 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CCC(CC)N(CCOC)S(=O)(=O)c1ccsc1C[NH3+] ZINC000089006755 192693622 /nfs/dbraw/zinc/69/36/22/192693622.db2.gz QGUFCDMDECEDPW-UHFFFAOYSA-N 1 0 320.480 2.033 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(-n2ccnc2)nc1 ZINC000180838183 199216548 /nfs/dbraw/zinc/21/65/48/199216548.db2.gz XFAZWCACISSLLF-DLBZAZTESA-N 1 0 311.433 2.326 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(Cl)cn2)CC[N@@H+]1C ZINC000180846162 199217933 /nfs/dbraw/zinc/21/79/33/199217933.db2.gz FNEBQBNNJMNIBH-BXUZGUMPSA-N 1 0 310.829 2.359 10 0 DEAERO C(c1noc2c1CCCC2)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000595720388 358532241 /nfs/dbraw/zinc/53/22/41/358532241.db2.gz LZDOGYURVSWKAR-HNNXBMFYSA-N 1 0 319.449 2.240 10 0 DEAERO CCC[NH2+]C[C@H](C)S(=O)(=O)N1CCC2(CCCC2)CC1 ZINC000089034235 192709325 /nfs/dbraw/zinc/70/93/25/192709325.db2.gz NOKOJSUOVUCDDX-AWEZNQCLSA-N 1 0 302.484 2.361 10 0 DEAERO FC(F)(F)OCCOc1ccccc1N1CCC[NH2+]CC1 ZINC000089056385 192721868 /nfs/dbraw/zinc/72/18/68/192721868.db2.gz GQIDBGTURGIFFL-UHFFFAOYSA-N 1 0 304.312 2.402 10 0 DEAERO CN([C@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)c1cccc(Cl)c1 ZINC000089132295 192732252 /nfs/dbraw/zinc/73/22/52/192732252.db2.gz BVZPIEHXUBCEEU-RISCZKNCSA-N 1 0 316.854 2.478 10 0 DEAERO Cc1nn(C)c(CN(CCC(N)=[NH2+])C(C)C)c1Br ZINC000089234208 192747567 /nfs/dbraw/zinc/74/75/67/192747567.db2.gz IAERHNAFWJTVKT-UHFFFAOYSA-N 1 0 316.247 2.027 10 0 DEAERO Cc1nn(C)c(COC2CCC([NH3+])CC2)c1Br ZINC000089234916 192749244 /nfs/dbraw/zinc/74/92/44/192749244.db2.gz RFVHNFNGFVFZBX-UHFFFAOYSA-N 1 0 302.216 2.278 10 0 DEAERO CCO[C@@H](C)[C@H](Cc1c(Br)c(CC)nn1C)[NH2+]C ZINC000089328534 192768409 /nfs/dbraw/zinc/76/84/09/192768409.db2.gz XGTDDZVWUCKDJH-ONGXEEELSA-N 1 0 318.259 2.301 10 0 DEAERO CCc1nn(CC)c(CN2CCC[C@H]([NH3+])C2)c1Br ZINC000089353341 192771824 /nfs/dbraw/zinc/77/18/24/192771824.db2.gz ILYVSIBDTJVCJA-JTQLQIEISA-N 1 0 315.259 2.151 10 0 DEAERO OC[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000089504888 192804251 /nfs/dbraw/zinc/80/42/51/192804251.db2.gz MLNGUPXJVZYNRP-STQMWFEESA-N 1 0 308.388 2.401 10 0 DEAERO C[N@H+](C[C@@H](O)c1cccc(Br)c1)CC1(CO)CC1 ZINC000186808268 200014555 /nfs/dbraw/zinc/01/45/55/200014555.db2.gz IXCBRIUULOZCSH-CYBMUJFWSA-N 1 0 314.223 2.187 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccnc1SC(F)(F)F ZINC000186754742 200004156 /nfs/dbraw/zinc/00/41/56/200004156.db2.gz AAOIAIIHGQWXNG-SCZZXKLOSA-N 1 0 319.352 2.421 10 0 DEAERO O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc(Cl)c1-n1ccnc1 ZINC000089741781 192855100 /nfs/dbraw/zinc/85/51/00/192855100.db2.gz VCPYBZIWWJRKCM-NSHDSACASA-N 1 0 304.781 2.464 10 0 DEAERO C[C@H]1CN(C(=O)c2ccc(Br)o2)C[C@H]1[NH+](C)C ZINC000089710265 192848340 /nfs/dbraw/zinc/84/83/40/192848340.db2.gz LXVNVILDNIJZCV-DTWKUNHWSA-N 1 0 301.184 2.064 10 0 DEAERO COc1cccc(CC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000187005042 200045995 /nfs/dbraw/zinc/04/59/95/200045995.db2.gz CCDICBAXVGGIAG-AWEZNQCLSA-N 1 0 319.449 2.259 10 0 DEAERO CCc1ccccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000187177047 200072529 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CCC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)[NH+](C)C ZINC000178657082 283475431 /nfs/dbraw/zinc/47/54/31/283475431.db2.gz XIZUAXIDAKXSIX-LRDDRELGSA-N 1 0 317.433 2.479 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000188393072 200239729 /nfs/dbraw/zinc/23/97/29/200239729.db2.gz SFYWNFYBWMKWQI-KRWDZBQOSA-N 1 0 321.465 2.297 10 0 DEAERO COc1ccc(C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000601003219 359889778 /nfs/dbraw/zinc/88/97/78/359889778.db2.gz BDIHLOUDWIHCRP-DZGCQCFKSA-N 1 0 320.433 2.235 10 0 DEAERO C[C@H](CC[NH2+]Cc1ccncc1Br)[S@@](C)=O ZINC000601111606 359925364 /nfs/dbraw/zinc/92/53/64/359925364.db2.gz UJYDWEAXIFIDMV-JDNHERCYSA-N 1 0 305.241 2.091 10 0 DEAERO Cc1ccc2cc(CNC[C@H](O)C[NH+]3CCCCC3)ccc2n1 ZINC000189278038 200375288 /nfs/dbraw/zinc/37/52/88/200375288.db2.gz DWNZCHBIVUKHBG-SFHVURJKSA-N 1 0 313.445 2.480 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000189549078 200420626 /nfs/dbraw/zinc/42/06/26/200420626.db2.gz 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CPAYGSCUXZTEDR-XFXZXTDPSA-N 1 0 303.324 2.395 10 0 DEAERO Cc1nn(C(C)C)c(C)c1NC(=O)c1csc(CC[NH3+])n1 ZINC000090949308 192961991 /nfs/dbraw/zinc/96/19/91/192961991.db2.gz IDQSQSNVRLZNBN-UHFFFAOYSA-N 1 0 307.423 2.291 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000448974247 239865748 /nfs/dbraw/zinc/86/57/48/239865748.db2.gz JMQAREJJMMPTRQ-UHFFFAOYSA-N 1 0 300.305 2.080 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2C)CC12COC2 ZINC000449357509 240396928 /nfs/dbraw/zinc/39/69/28/240396928.db2.gz DPBUXZCYKOMTOW-INIZCTEOSA-N 1 0 303.402 2.315 10 0 DEAERO NC(=O)N1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623418650 365023953 /nfs/dbraw/zinc/02/39/53/365023953.db2.gz ZZRKAQKHHYPSFQ-UHFFFAOYSA-N 1 0 307.341 2.400 10 0 DEAERO Cc1ccc(C[NH2+]C[C@@H]2COCCN2C)cc1Br ZINC000623711430 365141069 /nfs/dbraw/zinc/14/10/69/365141069.db2.gz FBFOPIGKWJWVSF-CYBMUJFWSA-N 1 0 313.239 2.178 10 0 DEAERO CC(C)(C)OC(=O)N1Cc2cn(CC3CC3)nc2[C@H](C[NH3+])C1 ZINC000091303050 193035709 /nfs/dbraw/zinc/03/57/09/193035709.db2.gz FVPRZQSIWYUDBW-GFCCVEGCSA-N 1 0 306.410 2.086 10 0 DEAERO c1ncn2c1c(N1CC[NH+](CC3CC3)CC1)nc1ccccc12 ZINC000623876140 365207730 /nfs/dbraw/zinc/20/77/30/365207730.db2.gz JOTASXYGZZJXJE-UHFFFAOYSA-N 1 0 307.401 2.415 10 0 DEAERO CC(C)NC(=O)C[C@H](C[NH3+])Nc1ccccc1Br ZINC000091318929 193037878 /nfs/dbraw/zinc/03/78/78/193037878.db2.gz GRWPZBURFOTOOI-SNVBAGLBSA-N 1 0 314.227 2.103 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)nc2)C1 ZINC000091448225 193057763 /nfs/dbraw/zinc/05/77/63/193057763.db2.gz VCBICHJYDXXYQU-LLVKDONJSA-N 1 0 312.211 2.058 10 0 DEAERO CC(C)(C)[NH2+]Cc1cnn([C@@H]2CCS(=O)(=O)C2)c1C(F)F ZINC000091336111 193041839 /nfs/dbraw/zinc/04/18/39/193041839.db2.gz QCEJIMCCRIEXGW-SNVBAGLBSA-N 1 0 321.393 2.068 10 0 DEAERO CC(C)[NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1C(C)C ZINC000091337243 193043440 /nfs/dbraw/zinc/04/34/40/193043440.db2.gz OWDSPCAVLPICMT-HNNXBMFYSA-N 1 0 313.467 2.038 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)c(C)n1 ZINC000091507366 193067144 /nfs/dbraw/zinc/06/71/44/193067144.db2.gz YBHVJQXUIBGCMF-MRVPVSSYSA-N 1 0 300.200 2.479 10 0 DEAERO CSCC[C@H]([NH3+])C(=O)Nc1ccc(Br)c(C)n1 ZINC000091507162 193067511 /nfs/dbraw/zinc/06/75/11/193067511.db2.gz IIVITHIFFLRJHK-VIFPVBQESA-N 1 0 318.240 2.171 10 0 DEAERO CC(C)([C@H]([NH3+])Cc1c(F)cccc1Cl)N1CCOCC1 ZINC000091566215 193073560 /nfs/dbraw/zinc/07/35/60/193073560.db2.gz BNDFQAUBYPTDBM-CQSZACIVSA-N 1 0 300.805 2.460 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)C(C)(C)N1CCCCCC1 ZINC000091568502 193074310 /nfs/dbraw/zinc/07/43/10/193074310.db2.gz SXCOCULXHYIDLB-HNNXBMFYSA-N 1 0 318.527 2.444 10 0 DEAERO COc1ccc(Br)c(C[C@@H](O)C[NH2+]C(C)C)c1 ZINC000091470162 193060695 /nfs/dbraw/zinc/06/06/95/193060695.db2.gz NOOXMDYMWFAXAK-LLVKDONJSA-N 1 0 302.212 2.359 10 0 DEAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000091479810 193062034 /nfs/dbraw/zinc/06/20/34/193062034.db2.gz YURNFOKEQXUDOS-WCQYABFASA-N 1 0 302.296 2.316 10 0 DEAERO COc1ccc(-c2csc([C@H]3C[NH2+]CCO3)n2)c(OC)c1 ZINC000091500232 193065067 /nfs/dbraw/zinc/06/50/67/193065067.db2.gz XTTZHDTVBRGRPI-CQSZACIVSA-N 1 0 306.387 2.488 10 0 DEAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCOC[C@H]1O ZINC000624238462 365346673 /nfs/dbraw/zinc/34/66/73/365346673.db2.gz RWBQBZWUMGMRKI-DDTOSNHZSA-N 1 0 314.223 2.120 10 0 DEAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)[C@@H]1CN(C)CCO1 ZINC000091718515 193096636 /nfs/dbraw/zinc/09/66/36/193096636.db2.gz RYCHVFVEAXFGSS-CABCVRRESA-N 1 0 300.805 2.330 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)[NH+](C)C ZINC000091732771 193099258 /nfs/dbraw/zinc/09/92/58/193099258.db2.gz JAMISWRYTSIUKM-OAHLLOKOSA-N 1 0 305.422 2.366 10 0 DEAERO CC[NH2+][C@@H](c1ccn(CC(=O)NCC(F)(F)F)c1)C(C)C ZINC000091827949 193112895 /nfs/dbraw/zinc/11/28/95/193112895.db2.gz RFAQJUSFXWQBOY-CYBMUJFWSA-N 1 0 305.344 2.473 10 0 DEAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)c1cccc(F)c1 ZINC000091852183 193118336 /nfs/dbraw/zinc/11/83/36/193118336.db2.gz FGEDNLRCQXIITL-UHFFFAOYSA-N 1 0 314.426 2.496 10 0 DEAERO CC[C@H](C[NH3+])[C@H](O)c1cc2c(c(Br)c1)OCO2 ZINC000091909238 193125056 /nfs/dbraw/zinc/12/50/56/193125056.db2.gz KILTXOIPFWCYTN-HQJQHLMTSA-N 1 0 302.168 2.196 10 0 DEAERO C[C@@H]([NH2+]CC1(O)CCOCC1)c1cccc(N2CCCC2)c1 ZINC000271789537 209217654 /nfs/dbraw/zinc/21/76/54/209217654.db2.gz MQWRQWQRROEHKQ-OAHLLOKOSA-N 1 0 304.434 2.479 10 0 DEAERO COc1nsc(C[NH2+][C@H]2C[C@H](OC)C2)c1Br ZINC000630074914 367458933 /nfs/dbraw/zinc/45/89/33/367458933.db2.gz UNSWVZSOWNQFIP-LJGSYFOKSA-N 1 0 307.213 2.181 10 0 DEAERO Cc1ccc([C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C(F)(F)F)o1 ZINC000630078405 367460640 /nfs/dbraw/zinc/46/06/40/367460640.db2.gz TZQYZCNPNDCTNF-UISBYWKRSA-N 1 0 319.327 2.428 10 0 DEAERO O=C(NCCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)C(F)(F)F ZINC000128082175 283952835 /nfs/dbraw/zinc/95/28/35/283952835.db2.gz SVBGSOFFPPTEST-NEPJUHHUSA-N 1 0 318.343 2.025 10 0 DEAERO CC1CCN(C(=[NH2+])NC[C@@H](n2cccn2)C(F)(F)F)CC1 ZINC000630386988 367627187 /nfs/dbraw/zinc/62/71/87/367627187.db2.gz DDHHJXXMCVQAQY-LLVKDONJSA-N 1 0 303.332 2.243 10 0 DEAERO CO[C@H]1CN(C(=O)c2ccc(F)cc2Cl)[C@](C)(C[NH3+])C1 ZINC000630365382 367613796 /nfs/dbraw/zinc/61/37/96/367613796.db2.gz VTVBBEWATUGOJC-YGRLFVJLSA-N 1 0 300.761 2.057 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000528680169 283973194 /nfs/dbraw/zinc/97/31/94/283973194.db2.gz BJLGLVJVQCNEKW-HNNXBMFYSA-N 1 0 316.405 2.075 10 0 DEAERO C[C@H]1C[NH+](CCC(=O)Nc2cccc(C(N)=S)c2)C[C@@H]1C ZINC000092085473 193155359 /nfs/dbraw/zinc/15/53/59/193155359.db2.gz NEXXMCYWOOOHDT-RYUDHWBXSA-N 1 0 305.447 2.237 10 0 DEAERO CC[NH2+]CCc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc1 ZINC000092113530 193161238 /nfs/dbraw/zinc/16/12/38/193161238.db2.gz PGBAJZXFDNYZOH-KBPBESRZSA-N 1 0 310.463 2.115 10 0 DEAERO CCC[NH2+]Cc1ccccc1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113893 193161616 /nfs/dbraw/zinc/16/16/16/193161616.db2.gz RXCFNFSAUTXHLK-ZIAGYGMSSA-N 1 0 310.463 2.463 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NCc2ccsc2)c(F)c1 ZINC000092116158 193164138 /nfs/dbraw/zinc/16/41/38/193164138.db2.gz KVFSVIYHOACQGL-UHFFFAOYSA-N 1 0 314.407 2.085 10 0 DEAERO CC(=O)c1ccc(NC(=O)C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1 ZINC000528760182 284002835 /nfs/dbraw/zinc/00/28/35/284002835.db2.gz WODNKDHWNTWBQD-IMODNSLOSA-N 1 0 304.390 2.229 10 0 DEAERO [NH3+][C@H]1C=C[C@H](C(=O)NCc2cc(Br)ccc2F)C1 ZINC000092206851 193173385 /nfs/dbraw/zinc/17/33/85/193173385.db2.gz YYBRAWOEGXPDHZ-KWQFWETISA-N 1 0 313.170 2.108 10 0 DEAERO c1ccc2c(c1)OC[C@@H](C[NH2+][C@H]1[C@@H]3CCO[C@@H]3C13CCC3)O2 ZINC000631561359 368286583 /nfs/dbraw/zinc/28/65/83/368286583.db2.gz NSMIEAIBDDNKPM-OQUILHJVSA-N 1 0 301.386 2.374 10 0 DEAERO c1cncc([C@@H]2C[NH2+]CCN2Cc2cccc3c2CCOC3)c1 ZINC000631825197 368404771 /nfs/dbraw/zinc/40/47/71/368404771.db2.gz BWQPOFMTCMOOIG-IBGZPJMESA-N 1 0 309.413 2.301 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888459 368444933 /nfs/dbraw/zinc/44/49/33/368444933.db2.gz ZNBJMRKBLQSZCH-QZTJIDSGSA-N 1 0 315.461 2.109 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000631969042 368471948 /nfs/dbraw/zinc/47/19/48/368471948.db2.gz ZQBNGXYZMAEKFT-RKDXNWHRSA-N 1 0 323.245 2.209 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)c(C)s1 ZINC000631960728 368468091 /nfs/dbraw/zinc/46/80/91/368468091.db2.gz WLYJWDRGTQSYHI-LBPRGKRZSA-N 1 0 302.465 2.257 10 0 DEAERO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000631978707 368478739 /nfs/dbraw/zinc/47/87/39/368478739.db2.gz HEXOHBUFASKBOT-GFCCVEGCSA-N 1 0 316.854 2.397 10 0 DEAERO C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261733243 203105006 /nfs/dbraw/zinc/10/50/06/203105006.db2.gz JZDGURURHSCLQR-RYRKJORJSA-N 1 0 302.418 2.073 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N(Cc2ccc(F)cc2)CC2CC2)O1 ZINC000261840224 203130833 /nfs/dbraw/zinc/13/08/33/203130833.db2.gz QPMACKKSLPZWTL-CVEARBPZSA-N 1 0 306.381 2.071 10 0 DEAERO Cc1cc(C)cc(N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000261913266 203150428 /nfs/dbraw/zinc/15/04/28/203150428.db2.gz JHICJGHCRMJXRS-SJORKVTESA-N 1 0 312.417 2.003 10 0 DEAERO CN[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1C)c1cnn(C)c1 ZINC000262065665 203189167 /nfs/dbraw/zinc/18/91/67/203189167.db2.gz IYFPEAFGCZAOJF-XJKSGUPXSA-N 1 0 300.406 2.175 10 0 DEAERO Cc1scc(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)c1C ZINC000262312089 203258580 /nfs/dbraw/zinc/25/85/80/203258580.db2.gz ATCWLYQJQQPLDO-UHFFFAOYSA-N 1 0 319.434 2.213 10 0 DEAERO C[NH2+]C[C@H](CCS(C)(=O)=O)c1ccccc1Br ZINC000093181248 193212408 /nfs/dbraw/zinc/21/24/08/193212408.db2.gz NGBWDNKQMDOWBD-JTQLQIEISA-N 1 0 320.252 2.187 10 0 DEAERO CC(C)c1ccc(CC2([C@H]3CCS(=O)(=O)C3)C[NH2+]C2)cc1 ZINC000093195392 193214509 /nfs/dbraw/zinc/21/45/09/193214509.db2.gz PDDSNLJZADETAI-INIZCTEOSA-N 1 0 307.459 2.377 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000262524243 203320256 /nfs/dbraw/zinc/32/02/56/203320256.db2.gz FYCVIKQVJPGTQB-OCCSQVGLSA-N 1 0 302.777 2.146 10 0 DEAERO [NH3+][C@H]1CC[C@@H](OCC(=O)Nc2cccc(Br)c2)C1 ZINC000093217319 193217148 /nfs/dbraw/zinc/21/71/48/193217148.db2.gz XSDMXTFAUWWRRF-CMPLNLGQSA-N 1 0 313.195 2.284 10 0 DEAERO Cn1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000093222068 193218141 /nfs/dbraw/zinc/21/81/41/193218141.db2.gz YQEAPWNYCCKJEP-INIZCTEOSA-N 1 0 324.428 2.397 10 0 DEAERO [NH3+][C@@H]1CC[C@H](Oc2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000093219168 193218368 /nfs/dbraw/zinc/21/83/68/193218368.db2.gz GOSIEIMQNUFETD-BDAKNGLRSA-N 1 0 309.309 2.239 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)C[C@H](C)CC)o1 ZINC000093265569 193222940 /nfs/dbraw/zinc/22/29/40/193222940.db2.gz ZIFGCPCEMHULAX-GFCCVEGCSA-N 1 0 302.440 2.446 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1cc(C[NH3+])n(CC)c1 ZINC000093265851 193223115 /nfs/dbraw/zinc/22/31/15/193223115.db2.gz LVBSCXFFZFNFDP-GFCCVEGCSA-N 1 0 301.456 2.023 10 0 DEAERO C[N@H+](CCNC(=O)c1sc2cccc(F)c2c1N)C1CC1 ZINC000093412222 193245753 /nfs/dbraw/zinc/24/57/53/193245753.db2.gz BPRYHOMQRNXINL-UHFFFAOYSA-N 1 0 307.394 2.447 10 0 DEAERO C[C@H](C[C@H]1CCC[NH2+]1)Nc1cc(S(C)(=O)=O)ccc1F ZINC000093464008 193255815 /nfs/dbraw/zinc/25/58/15/193255815.db2.gz DDPUBTUXOSESQV-GHMZBOCLSA-N 1 0 300.399 2.172 10 0 DEAERO Cn1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c(-c2ccncc2)n1 ZINC000093479880 193257105 /nfs/dbraw/zinc/25/71/05/193257105.db2.gz CVJRSUNFBYKRIO-MVVMVCHASA-N 1 0 312.417 2.075 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)C1 ZINC000262657472 203369508 /nfs/dbraw/zinc/36/95/08/203369508.db2.gz ZNYNUQZNTVMEPV-CRWXNKLISA-N 1 0 308.447 2.290 10 0 DEAERO NC1=[NH+]CC2(CCOCC2)N1c1ccc(Br)cc1 ZINC000093386570 193241648 /nfs/dbraw/zinc/24/16/48/193241648.db2.gz PULWAGCJLCAADH-UHFFFAOYSA-N 1 0 310.195 2.133 10 0 DEAERO COc1ccc([C@H]2CNC(=[NH2+])N2Cc2cccs2)cc1O ZINC000093392745 193243296 /nfs/dbraw/zinc/24/32/96/193243296.db2.gz OGAWFARJHODJQH-GFCCVEGCSA-N 1 0 303.387 2.334 10 0 DEAERO C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccncc2)CCN1C ZINC000093644851 193280281 /nfs/dbraw/zinc/28/02/81/193280281.db2.gz SRCBLBNNVNANHI-PBHICJAKSA-N 1 0 313.449 2.397 10 0 DEAERO CC[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccc2c(c1)CCO2 ZINC000093522787 193263199 /nfs/dbraw/zinc/26/31/99/193263199.db2.gz AQHNIKIPADCPGJ-AWEZNQCLSA-N 1 0 311.447 2.485 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@@H]1CCn1cc(Br)cn1 ZINC000093618846 193275404 /nfs/dbraw/zinc/27/54/04/193275404.db2.gz LWOWFOZUNMALQV-DGCLKSJQSA-N 1 0 316.243 2.176 10 0 DEAERO Cc1nn(CC[C@@H]2CCC[C@@]2([NH3+])CO)c(C)c1Br ZINC000093618427 193275470 /nfs/dbraw/zinc/27/54/70/193275470.db2.gz LQORMUBSQPUTQC-WCQYABFASA-N 1 0 316.243 2.142 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1ccc(Cl)cn1 ZINC000093631206 193277573 /nfs/dbraw/zinc/27/75/73/193277573.db2.gz ABUSSTKCLLAADU-IINYFYTJSA-N 1 0 313.854 2.461 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000093696838 193291942 /nfs/dbraw/zinc/29/19/42/193291942.db2.gz DXESANVZZCAVPM-ZDUSSCGKSA-N 1 0 316.854 2.101 10 0 DEAERO C[NH2+][C@@H](CSCC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700483 193294383 /nfs/dbraw/zinc/29/43/83/193294383.db2.gz LZXIZRQNCLJUCN-ZIAGYGMSSA-N 1 0 322.540 2.025 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000093699787 193294406 /nfs/dbraw/zinc/29/44/06/193294406.db2.gz JJQJFESRISJEJW-WFASDCNBSA-N 1 0 314.426 2.148 10 0 DEAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCCC1 ZINC000093699993 193294427 /nfs/dbraw/zinc/29/44/27/193294427.db2.gz KRZLRUYDKPOECU-HIFRSBDPSA-N 1 0 302.484 2.216 10 0 DEAERO CC[NH2+]CC1(C[C@H]2CCCN(S(C)(=O)=O)C2)CCCC1 ZINC000093701494 193294831 /nfs/dbraw/zinc/29/48/31/193294831.db2.gz DXHIHVHFXCSJGC-CQSZACIVSA-N 1 0 302.484 2.218 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000093739959 193298652 /nfs/dbraw/zinc/29/86/52/193298652.db2.gz QEKHLQXJHHQZTA-KRWDZBQOSA-N 1 0 318.461 2.289 10 0 DEAERO [NH3+][C@]1(c2nc3cc(F)c(Br)cc3[nH]2)CCOC1 ZINC000093728933 193299054 /nfs/dbraw/zinc/29/90/54/193299054.db2.gz VOAKQISUTPQPKW-LLVKDONJSA-N 1 0 300.131 2.039 10 0 DEAERO C[NH2+][C@@]1(CO)CC[C@H](Oc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000093859628 193319356 /nfs/dbraw/zinc/31/93/56/193319356.db2.gz QSJHRDSQNXDNOE-IYQDAUBNSA-N 1 0 311.250 2.264 10 0 DEAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)c1cccc(Cl)c1 ZINC000094006501 193338842 /nfs/dbraw/zinc/33/88/42/193338842.db2.gz LWFIGYCVFMCHSZ-UHFFFAOYSA-N 1 0 316.854 2.380 10 0 DEAERO CC(C)[C@@H](NC(=O)CN(C)CC(C)(C)C[NH3+])c1cccs1 ZINC000093874294 193322366 /nfs/dbraw/zinc/32/23/66/193322366.db2.gz GGKSOPTVJKEHPF-OAHLLOKOSA-N 1 0 311.495 2.478 10 0 DEAERO CCN(CC(C)(C)C[NH3+])[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000093876656 193322536 /nfs/dbraw/zinc/32/25/36/193322536.db2.gz ZMBOKHNLONFJIJ-ZDUSSCGKSA-N 1 0 312.479 2.458 10 0 DEAERO C[NH2+][C@@H](Cc1c(Cl)cccc1Cl)[C@@H]1CN(C)CCN1C ZINC000093894843 193325056 /nfs/dbraw/zinc/32/50/56/193325056.db2.gz QOKTVIFXVJWRFI-GJZGRUSLSA-N 1 0 316.276 2.370 10 0 DEAERO CCN1CCO[C@H]([C@@H](Cc2ccc(F)cc2Cl)[NH2+]C)C1 ZINC000093914063 193328288 /nfs/dbraw/zinc/32/82/88/193328288.db2.gz DIPIHNVXHSWPDR-CABCVRRESA-N 1 0 300.805 2.330 10 0 DEAERO CN[C@H]1C(=O)Nc2cc(OCC(C)(C)[NH+](C)C)c(Cl)cc21 ZINC000093955274 193331764 /nfs/dbraw/zinc/33/17/64/193331764.db2.gz GQTXMTUYSPYLCO-CYBMUJFWSA-N 1 0 311.813 2.272 10 0 DEAERO CCC([NH3+])(CC)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000094244631 193354845 /nfs/dbraw/zinc/35/48/45/193354845.db2.gz JYBWZTCGJBHGPZ-CHWSQXEVSA-N 1 0 300.468 2.017 10 0 DEAERO CC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N(C)CCS(C)(=O)=O ZINC000094298440 193357822 /nfs/dbraw/zinc/35/78/22/193357822.db2.gz JNLDLPFKRCTZQE-GDBMZVCRSA-N 1 0 312.479 2.011 10 0 DEAERO CC1(C)CCC[C@H]1NS(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000094330102 193359677 /nfs/dbraw/zinc/35/96/77/193359677.db2.gz MXMYNPFBXMMGRT-OAHLLOKOSA-N 1 0 308.447 2.189 10 0 DEAERO Cc1sc2nc(CN3CC[C@H]([NH3+])[C@H](C)C3)nc(N)c2c1C ZINC000094341158 193362026 /nfs/dbraw/zinc/36/20/26/193362026.db2.gz WHNRGOYFFTUVPM-KCJUWKMLSA-N 1 0 305.451 2.059 10 0 DEAERO CCNC(=O)COc1c(F)cc(C[NH2+]CC(C)C)cc1F ZINC000094347939 193363114 /nfs/dbraw/zinc/36/31/14/193363114.db2.gz HDTNMEOGNHSXCF-UHFFFAOYSA-N 1 0 300.349 2.225 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(O[C@H](C)C(=O)NCC)c(F)c1 ZINC000094347106 193363231 /nfs/dbraw/zinc/36/32/31/193363231.db2.gz LIYZCCMCSVYNKT-SNVBAGLBSA-N 1 0 300.349 2.368 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(O[C@@H](C)C(=O)NCC)c(F)c1 ZINC000094347105 193363530 /nfs/dbraw/zinc/36/35/30/193363530.db2.gz LIYZCCMCSVYNKT-JTQLQIEISA-N 1 0 300.349 2.368 10 0 DEAERO CCC[C@@H](C)NC(=O)[C@@H](C)Oc1c(F)cc(C[NH3+])cc1F ZINC000094346194 193363617 /nfs/dbraw/zinc/36/36/17/193363617.db2.gz QGSGSOPLEMABND-NXEZZACHSA-N 1 0 300.349 2.496 10 0 DEAERO Cc1cc(NC(=O)C[NH2+]C(C)(C)C)ncc1Br ZINC000094063601 193342176 /nfs/dbraw/zinc/34/21/76/193342176.db2.gz ZNVJOAPLJDEOKI-UHFFFAOYSA-N 1 0 300.200 2.479 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(C)c(Br)cn1 ZINC000094063689 193342607 /nfs/dbraw/zinc/34/26/07/193342607.db2.gz HVQAMFGCVIOVNZ-SECBINFHSA-N 1 0 300.200 2.479 10 0 DEAERO C[N@H+](CCCNC(=O)[C@](C)(N)C(F)(F)F)C1CCCCC1 ZINC000094235755 193353378 /nfs/dbraw/zinc/35/33/78/193353378.db2.gz GAKAHSGHTSQHKB-ZDUSSCGKSA-N 1 0 309.376 2.037 10 0 DEAERO CC[NH+](CC)[C@](C)(CC)[C@H](O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641343 193388525 /nfs/dbraw/zinc/38/85/25/193388525.db2.gz ZDMUELOSIVGLJU-QKPAOTATSA-N 1 0 319.511 2.461 10 0 DEAERO CC[NH2+][C@H](c1ccc(F)cn1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094643092 193388644 /nfs/dbraw/zinc/38/86/44/193388644.db2.gz XWPPGTYHVJHLLP-ZLDLUXBVSA-N 1 0 314.426 2.475 10 0 DEAERO CC(C)(C)[NH2+]CCn1nnnc1SCc1cccc(O)c1 ZINC000094689141 193391940 /nfs/dbraw/zinc/39/19/40/193391940.db2.gz BPVYTWLJYJDWCP-UHFFFAOYSA-N 1 0 307.423 2.059 10 0 DEAERO CC[N@@H+]1CCC[C@@H](Nc2nc(Br)cn3ccnc23)C1 ZINC000094488921 193373847 /nfs/dbraw/zinc/37/38/47/193373847.db2.gz HRFKXAABCWQNBO-SNVBAGLBSA-N 1 0 324.226 2.388 10 0 DEAERO Brc1cn2ccnc2c(NCC[NH+]2CCCCC2)n1 ZINC000094489149 193373993 /nfs/dbraw/zinc/37/39/93/193373993.db2.gz QPRDUQWDVRVZEI-UHFFFAOYSA-N 1 0 324.226 2.390 10 0 DEAERO CCn1cc(Br)cc1C(=O)N1C[C@H](C)C[C@H]([NH3+])C1 ZINC000094548726 193378318 /nfs/dbraw/zinc/37/83/18/193378318.db2.gz IIURDAKNDBTAEQ-KOLCDFICSA-N 1 0 314.227 2.080 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2ccc(Br)cc2F)C1 ZINC000094549378 193378846 /nfs/dbraw/zinc/37/88/46/193378846.db2.gz PJLDWBYKMBGQMM-SCZZXKLOSA-N 1 0 315.186 2.398 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000094550124 193378879 /nfs/dbraw/zinc/37/88/79/193378879.db2.gz JXQUGGRAUYOTEJ-GXSJLCMTSA-N 1 0 322.352 2.063 10 0 DEAERO Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H]([NH3+])C2)c(Cl)c1 ZINC000094550186 193378893 /nfs/dbraw/zinc/37/88/93/193378893.db2.gz HUIJQBKAEJLQEA-MNOVXSKESA-N 1 0 302.827 2.006 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)O1 ZINC000094563386 193380311 /nfs/dbraw/zinc/38/03/11/193380311.db2.gz AFKZRNZBFNXWLS-WDEREUQCSA-N 1 0 304.268 2.030 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2OC(F)(F)F)O1 ZINC000094563413 193380921 /nfs/dbraw/zinc/38/09/21/193380921.db2.gz PEJRKGQBYJHTOB-KWQFWETISA-N 1 0 304.268 2.030 10 0 DEAERO Brc1cccn2nc(N[C@H]3CC[N@@H+](C4CC4)C3)nc12 ZINC000094604932 193383660 /nfs/dbraw/zinc/38/36/60/193383660.db2.gz YQPDDXZMLVNOON-VIFPVBQESA-N 1 0 322.210 2.140 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1nc2ccc(Br)cn2n1 ZINC000094608796 193384693 /nfs/dbraw/zinc/38/46/93/193384693.db2.gz CQYKEAVVYJVRKB-PSASIEDQSA-N 1 0 310.199 2.031 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])[C@]2(C)CCCO2)c1Br ZINC000094782757 193397826 /nfs/dbraw/zinc/39/78/26/193397826.db2.gz IKYXGGPJHULOQV-AAEUAGOBSA-N 1 0 316.243 2.184 10 0 DEAERO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000186952342 296153305 /nfs/dbraw/zinc/15/33/05/296153305.db2.gz HYQLEQGYYCZREP-PBHICJAKSA-N 1 0 324.490 2.092 10 0 DEAERO O=C(N[C@H]1CCOc2c(F)cccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191021844 284212475 /nfs/dbraw/zinc/21/24/75/284212475.db2.gz ZMQLDRVRXFBCRT-DOMZBBRYSA-N 1 0 319.380 2.139 10 0 DEAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCCC(=O)N1 ZINC000192960900 284299573 /nfs/dbraw/zinc/29/95/73/284299573.db2.gz SQIJMTLXODPSGS-INIZCTEOSA-N 1 0 315.417 2.280 10 0 DEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000282536110 217070169 /nfs/dbraw/zinc/07/01/69/217070169.db2.gz ZKUSNDVMRPYGCL-IONNQARKSA-N 1 0 303.225 2.267 10 0 DEAERO COCC[NH2+]C[C@@](C)(O)Cc1cc(F)ccc1Br ZINC000097241359 193698144 /nfs/dbraw/zinc/69/81/44/193698144.db2.gz BSGQUPSVGVACDZ-ZDUSSCGKSA-N 1 0 320.202 2.118 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH3+])COC(C)C ZINC000097275744 193702590 /nfs/dbraw/zinc/70/25/90/193702590.db2.gz PJUVYBJYROJSCG-JTQLQIEISA-N 1 0 304.232 2.269 10 0 DEAERO C[NH2+][C@H](Cc1nc2ccccc2s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000097315393 193706506 /nfs/dbraw/zinc/70/65/06/193706506.db2.gz QIJDMTGKNQIXLU-RYUDHWBXSA-N 1 0 324.471 2.252 10 0 DEAERO C[NH2+][C@H](Cc1ccsc1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097312683 193706590 /nfs/dbraw/zinc/70/65/90/193706590.db2.gz QYTKXCQZGFDUDX-MELADBBJSA-N 1 0 301.477 2.482 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])CSc1ccc(F)cc1 ZINC000097329815 193708804 /nfs/dbraw/zinc/70/88/04/193708804.db2.gz MGKBKXXCEWPNAV-GFCCVEGCSA-N 1 0 305.440 2.460 10 0 DEAERO Ic1cc(CNCC[NH2+]C2CC2)cs1 ZINC000161408694 197492801 /nfs/dbraw/zinc/49/28/01/197492801.db2.gz BBEDLQNZFOITTR-UHFFFAOYSA-N 1 0 322.215 2.194 10 0 DEAERO CCCn1ncc(Br)c1[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000160370140 197404377 /nfs/dbraw/zinc/40/43/77/197404377.db2.gz BSYOGZBIEHMFKA-KOLCDFICSA-N 1 0 302.216 2.482 10 0 DEAERO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000020179241 182194682 /nfs/dbraw/zinc/19/46/82/182194682.db2.gz VVVPUPXREMIWIY-HNNXBMFYSA-N 1 0 323.412 2.378 10 0 DEAERO CC(C)(C)NC(=O)COc1ccc(Br)cc1C[NH3+] ZINC000020483504 182223074 /nfs/dbraw/zinc/22/30/74/182223074.db2.gz JZQSXLYMKMDTHL-UHFFFAOYSA-N 1 0 315.211 2.201 10 0 DEAERO CCCNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH3+] ZINC000020483378 182223210 /nfs/dbraw/zinc/22/32/10/182223210.db2.gz WYYQURSXMAAQFB-VIFPVBQESA-N 1 0 315.211 2.201 10 0 DEAERO CCOC(=O)N[C@@H](C[NH3+])c1ccc(OC)c(OC(F)F)c1 ZINC000020551456 182230098 /nfs/dbraw/zinc/23/00/98/182230098.db2.gz YGETVNGMIWIZEN-VIFPVBQESA-N 1 0 304.293 2.043 10 0 DEAERO CCCC[NH2+]Cc1cc(Br)ccc1OCC(N)=O ZINC000020873042 182250825 /nfs/dbraw/zinc/25/08/25/182250825.db2.gz BGWQTZDKRQDMCZ-UHFFFAOYSA-N 1 0 315.211 2.203 10 0 DEAERO CCCOc1ccc(Cl)cc1CNCC[NH2+]C[C@@H](C)O ZINC000020967795 182256558 /nfs/dbraw/zinc/25/65/58/182256558.db2.gz DXYDGACDNYAZMK-GFCCVEGCSA-N 1 0 300.830 2.189 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000246758163 299466261 /nfs/dbraw/zinc/46/62/61/299466261.db2.gz ICFMJFFGKUGITO-HLLBOEOZSA-N 1 0 310.482 2.364 10 0 DEAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](COC)c1ccccc1 ZINC000458245731 248227462 /nfs/dbraw/zinc/22/74/62/248227462.db2.gz VDAKEEHRGBXMDN-SJORKVTESA-N 1 0 319.449 2.500 10 0 DEAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@H](COC)c1ccccc1 ZINC000458245728 248228450 /nfs/dbraw/zinc/22/84/50/248228450.db2.gz VDAKEEHRGBXMDN-DLBZAZTESA-N 1 0 319.449 2.500 10 0 DEAERO COCCCOc1c(Br)cc(C[NH3+])cc1OC ZINC000037753547 182923075 /nfs/dbraw/zinc/92/30/75/182923075.db2.gz IBLXIAUUIQEBJY-UHFFFAOYSA-N 1 0 304.184 2.332 10 0 DEAERO CCNC(=O)C[NH+]1CCC(Cn2c(C)nc3ccccc32)CC1 ZINC000038535671 183001842 /nfs/dbraw/zinc/00/18/42/183001842.db2.gz WFEOPKQLUQTMLM-UHFFFAOYSA-N 1 0 314.433 2.193 10 0 DEAERO COc1ccc2c3c1cccc3C(=O)N(CC(C)(C)C[NH3+])C2=O ZINC000038647845 183005380 /nfs/dbraw/zinc/00/53/80/183005380.db2.gz OAXARIFQDZZRGL-UHFFFAOYSA-N 1 0 312.369 2.429 10 0 DEAERO CC[C@H](C)[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000040415310 183063777 /nfs/dbraw/zinc/06/37/77/183063777.db2.gz BXJAOWYTSNZRRY-VIFPVBQESA-N 1 0 310.419 2.350 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000040462325 183070856 /nfs/dbraw/zinc/07/08/56/183070856.db2.gz ZMNSMDLQIKXNKB-QCNOEVLYSA-N 1 0 310.360 2.366 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(Cl)c3cccnc23)C1 ZINC000040634097 183111761 /nfs/dbraw/zinc/11/17/61/183111761.db2.gz FOOOJBGADONOGS-ZANVPECISA-N 1 0 305.765 2.204 10 0 DEAERO COc1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1OC(F)F ZINC000040671649 183115321 /nfs/dbraw/zinc/11/53/21/183115321.db2.gz KRGBYTINTAYUCQ-GFCCVEGCSA-N 1 0 300.349 2.480 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000040777155 183132082 /nfs/dbraw/zinc/13/20/82/183132082.db2.gz FETQUHHRXXRFRJ-UONOGXRCSA-N 1 0 316.239 2.479 10 0 DEAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]([NH3+])CCSC ZINC000040852816 183141714 /nfs/dbraw/zinc/14/17/14/183141714.db2.gz NDQPTXRJPYGVGY-VIFPVBQESA-N 1 0 316.448 2.170 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@H]([NH3+])C(C)C)CCCC2 ZINC000040856022 183143139 /nfs/dbraw/zinc/14/31/39/183143139.db2.gz QSXMQVAIQROHDC-GFCCVEGCSA-N 1 0 310.419 2.335 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000040746784 183128643 /nfs/dbraw/zinc/12/86/43/183128643.db2.gz ZOOWGVXXNWKMLL-FUNVUKJBSA-N 1 0 312.410 2.038 10 0 DEAERO Cc1oc(-c2ccc(F)cc2)nc1CC(=O)NCCC[NH+](C)C ZINC000041449043 183191993 /nfs/dbraw/zinc/19/19/93/183191993.db2.gz MYTZNGXZUPLOGL-UHFFFAOYSA-N 1 0 319.380 2.400 10 0 DEAERO CCCC(CCC)(C(N)=S)C(=O)NCCCC[NH+](C)C ZINC000041680867 183216405 /nfs/dbraw/zinc/21/64/05/183216405.db2.gz MJHKRGHVZANNMF-UHFFFAOYSA-N 1 0 301.500 2.317 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1OCCn1ccnc1 ZINC000042411573 183265849 /nfs/dbraw/zinc/26/58/49/183265849.db2.gz CZEHODFXWOAHIN-UHFFFAOYSA-N 1 0 310.195 2.444 10 0 DEAERO CC(C)[NH2+]C[C@H](O)CN(C)Cc1ccc(Br)cc1 ZINC000042439956 183270359 /nfs/dbraw/zinc/27/03/59/183270359.db2.gz DYAULYNWCSXSHP-AWEZNQCLSA-N 1 0 315.255 2.240 10 0 DEAERO CCN(C[C@@H](C)C[NH3+])c1ccccc1S(=O)(=O)C(F)(F)F ZINC000042442249 183270943 /nfs/dbraw/zinc/27/09/43/183270943.db2.gz QROCBUCJTGRHRL-JTQLQIEISA-N 1 0 324.368 2.401 10 0 DEAERO COc1cccc(NC(=O)C[N@H+](CCC(N)=S)C(C)C)c1 ZINC000042529234 183281005 /nfs/dbraw/zinc/28/10/05/183281005.db2.gz GYCAEWBDXNVJBF-UHFFFAOYSA-N 1 0 309.435 2.020 10 0 DEAERO CC[NH2+]C1(c2nc(CC)c(C)s2)CCS(=O)(=O)CC1 ZINC000042333230 183255359 /nfs/dbraw/zinc/25/53/59/183255359.db2.gz IFAQWSFKWXDFLN-UHFFFAOYSA-N 1 0 302.465 2.027 10 0 DEAERO CC(C)N(CC1CC1)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042594343 183289584 /nfs/dbraw/zinc/28/95/84/183289584.db2.gz VYJBPKCGPCCECC-UHFFFAOYSA-N 1 0 302.465 2.058 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000042609385 183290588 /nfs/dbraw/zinc/29/05/88/183290588.db2.gz WMXOBAYXWIXSBU-CJNGLKHVSA-N 1 0 310.463 2.486 10 0 DEAERO [NH3+]Cc1ccccc1NC(=O)CN(CC(F)(F)F)C1CC1 ZINC000042740768 183303908 /nfs/dbraw/zinc/30/39/08/183303908.db2.gz BTGACYWBCZBJDU-UHFFFAOYSA-N 1 0 301.312 2.111 10 0 DEAERO CCN([C@@H](C)COC)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042743813 183304197 /nfs/dbraw/zinc/30/41/97/183304197.db2.gz ICYSANVVVWMMST-UWVGGRQHSA-N 1 0 305.216 2.399 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1cccc(Cl)c1 ZINC000043019672 183328792 /nfs/dbraw/zinc/32/87/92/183328792.db2.gz JJGZQJFZIQHVGX-KRTXAFLBSA-N 1 0 309.826 2.475 10 0 DEAERO COCCCN(CCOC)[C@@H](c1sccc1C)[C@@H](C)[NH3+] ZINC000043248714 183347250 /nfs/dbraw/zinc/34/72/50/183347250.db2.gz OPCVJQYYCOVBGA-ZIAGYGMSSA-N 1 0 300.468 2.430 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCC(CC(N)=O)CC1 ZINC000043242767 183347385 /nfs/dbraw/zinc/34/73/85/183347385.db2.gz LVTAYUBLBGJUEV-BBRMVZONSA-N 1 0 309.479 2.422 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CCC(O)CC1 ZINC000043258814 183347926 /nfs/dbraw/zinc/34/79/26/183347926.db2.gz ALEXZEHWKQXYFY-PELKAZGASA-N 1 0 319.268 2.356 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CCN(C)CC1 ZINC000043258587 183348151 /nfs/dbraw/zinc/34/81/51/183348151.db2.gz BQAMDGSPYVZYIT-SKDRFNHKSA-N 1 0 318.284 2.146 10 0 DEAERO CNC(=O)[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043253720 183348413 /nfs/dbraw/zinc/34/84/13/183348413.db2.gz VRBFUOANAWNUTO-ZJUUUORDSA-N 1 0 301.843 2.002 10 0 DEAERO CNC(=O)C1CCN([C@H](c2ccc(Cl)s2)[C@@H](C)[NH3+])CC1 ZINC000043252800 183348419 /nfs/dbraw/zinc/34/84/19/183348419.db2.gz FQBZSZRZTBMZRO-RNCFNFMXSA-N 1 0 315.870 2.248 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)s1)n1cncn1 ZINC000043263211 183349222 /nfs/dbraw/zinc/34/92/22/183349222.db2.gz PWWMZANEIHLPFL-XVKPBYJWSA-N 1 0 301.213 2.429 10 0 DEAERO C[NH2+]Cc1c(-n2ccc(C(F)(F)F)n2)nc2sccn12 ZINC000043298854 183351214 /nfs/dbraw/zinc/35/12/14/183351214.db2.gz OVBYVBUDLWSCKG-UHFFFAOYSA-N 1 0 301.297 2.320 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N(CCO)C1CC1 ZINC000043287381 183351438 /nfs/dbraw/zinc/35/14/38/183351438.db2.gz YIWDVUJNEWFFES-UFBFGSQYSA-N 1 0 319.268 2.356 10 0 DEAERO CCC[NH2+][C@@H](c1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043301182 183352029 /nfs/dbraw/zinc/35/20/29/183352029.db2.gz ZHGNYAYVDDLMHX-IINYFYTJSA-N 1 0 303.374 2.440 10 0 DEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCN(c3nccs3)CC2)o1 ZINC000043363896 183357421 /nfs/dbraw/zinc/35/74/21/183357421.db2.gz WKBGOXIUHLARHJ-GXTWGEPZSA-N 1 0 306.435 2.255 10 0 DEAERO COCC[NH2+]CCN(C)Cc1cc(Br)cs1 ZINC000043687690 183381482 /nfs/dbraw/zinc/38/14/82/183381482.db2.gz VQFNJIBIULZEMY-UHFFFAOYSA-N 1 0 307.257 2.178 10 0 DEAERO CN(C)C(C)(C)C[NH2+]C[C@@H](O)COc1cccc(Cl)c1 ZINC000043411246 183359809 /nfs/dbraw/zinc/35/98/09/183359809.db2.gz IAGVVYAIJFQLLB-CYBMUJFWSA-N 1 0 300.830 2.010 10 0 DEAERO CC[NH2+]Cc1c(N2CCO[C@@H]3CCC[C@@H]32)nc2sccn12 ZINC000043426639 183361768 /nfs/dbraw/zinc/36/17/68/183361768.db2.gz OVCDSPDHGWPLNW-WCQYABFASA-N 1 0 306.435 2.263 10 0 DEAERO Cc1ccc(F)c(NS(=O)(=O)c2ccc(CC[NH3+])cc2)c1 ZINC000044594352 183426379 /nfs/dbraw/zinc/42/63/79/183426379.db2.gz MSKUCCBUZSFNGB-UHFFFAOYSA-N 1 0 308.378 2.436 10 0 DEAERO CC(C)COc1ccc([C@@H](C)[NH2+]CCCS(N)(=O)=O)cc1 ZINC000045067860 183479013 /nfs/dbraw/zinc/47/90/13/183479013.db2.gz YDWISKRZWPPLHU-CYBMUJFWSA-N 1 0 314.451 2.051 10 0 DEAERO C[C@H](C[NH2+]Cc1ccc(Br)c(F)c1)[S@@](C)=O ZINC000159789690 197364112 /nfs/dbraw/zinc/36/41/12/197364112.db2.gz XJGVFYJOBZOWQB-BCTVWOGZSA-N 1 0 308.216 2.445 10 0 DEAERO Cc1cc(C)nc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000284509824 218057514 /nfs/dbraw/zinc/05/75/14/218057514.db2.gz CAVYLLBGMDQHAU-GOEBONIOSA-N 1 0 314.437 2.322 10 0 DEAERO CC(C)[C@H](C)NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000105075924 194071268 /nfs/dbraw/zinc/07/12/68/194071268.db2.gz LANXHMQSIYPJJW-ZACQAIPSSA-N 1 0 324.513 2.231 10 0 DEAERO CC[NH2+][C@H](CSc1nnc(SC)s1)[C@H]1CCOC1 ZINC000159468861 197356116 /nfs/dbraw/zinc/35/61/16/197356116.db2.gz QJAPNIKWWAVCCN-DTWKUNHWSA-N 1 0 305.494 2.367 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805354 194133602 /nfs/dbraw/zinc/13/36/02/194133602.db2.gz MUQBKIZAFBITQJ-UONOGXRCSA-N 1 0 319.453 2.046 10 0 DEAERO CCc1ccc2c(C[NH2+][C@@H]3CCc4ncnn4C3)cc(=O)oc2c1 ZINC000105870785 194152368 /nfs/dbraw/zinc/15/23/68/194152368.db2.gz FFVHJFYUKZZYIP-CQSZACIVSA-N 1 0 324.384 2.052 10 0 DEAERO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCCCC3)C2)c1 ZINC000105923561 194170575 /nfs/dbraw/zinc/17/05/75/194170575.db2.gz XFGNYLGIOMGVEE-HOTGVXAUSA-N 1 0 304.438 2.229 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(OC(F)F)cc1 ZINC000105932393 194172306 /nfs/dbraw/zinc/17/23/06/194172306.db2.gz RCCTTWJFWLFVMT-RISCZKNCSA-N 1 0 300.349 2.269 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)COC)c1cccc(OC)c1 ZINC000103362471 284770695 /nfs/dbraw/zinc/77/06/95/284770695.db2.gz ZCULCLSKBCROSI-YOEHRIQHSA-N 1 0 322.449 2.477 10 0 DEAERO CC(C)Oc1cccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000106379571 194204392 /nfs/dbraw/zinc/20/43/92/194204392.db2.gz HWJJHIWLMLFJEK-SFHVURJKSA-N 1 0 304.434 2.427 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)COCc1ccccc1F ZINC000106379409 194204482 /nfs/dbraw/zinc/20/44/82/194204482.db2.gz BINRFLNWUOSCIU-SJORKVTESA-N 1 0 324.440 2.119 10 0 DEAERO COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000106738756 194248117 /nfs/dbraw/zinc/24/81/17/194248117.db2.gz AWUQPBAXKVAJOF-IRXDYDNUSA-N 1 0 302.418 2.351 10 0 DEAERO CN(c1ccccc1F)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000050010227 183767239 /nfs/dbraw/zinc/76/72/39/183767239.db2.gz VNRUFBBWPUNWFO-UHFFFAOYSA-N 1 0 314.407 2.214 10 0 DEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)Cc1cccc(Br)c1 ZINC000050041902 183768874 /nfs/dbraw/zinc/76/88/74/183768874.db2.gz OZKHINQEXLMVJX-STQMWFEESA-N 1 0 311.223 2.378 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1ncnc2[nH]cnc21)c1ccccn1 ZINC000051036321 183811741 /nfs/dbraw/zinc/81/17/41/183811741.db2.gz SJCSMELYYFAILE-CABZTGNLSA-N 1 0 300.391 2.319 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000109436554 194263966 /nfs/dbraw/zinc/26/39/66/194263966.db2.gz ONSKYZZSVLGXBM-JQWIXIFHSA-N 1 0 313.195 2.073 10 0 DEAERO NNc1ccc(C(=O)NCc2ccccc2Br)c[nH+]1 ZINC000051117913 183815684 /nfs/dbraw/zinc/81/56/84/183815684.db2.gz JJSXABMCFFVZDS-UHFFFAOYSA-N 1 0 321.178 2.060 10 0 DEAERO CC[NH2+][C@H]1C(=O)Nc2cc(-n3cc(Br)cn3)ccc21 ZINC000109572957 194274347 /nfs/dbraw/zinc/27/43/47/194274347.db2.gz QWWLEJCKVYLNHI-GFCCVEGCSA-N 1 0 321.178 2.238 10 0 DEAERO Cc1cc(C)cc(S(=O)(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000051359404 183824755 /nfs/dbraw/zinc/82/47/55/183824755.db2.gz ZEIGFYUHBWZLHC-HOTGVXAUSA-N 1 0 308.447 2.209 10 0 DEAERO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1ccccc1Br ZINC000051787282 183836557 /nfs/dbraw/zinc/83/65/57/183836557.db2.gz AFPXGYWTEBCQJU-SNVBAGLBSA-N 1 0 313.195 2.156 10 0 DEAERO CC[C@H]1CN(C(=O)C2(C(N)=S)CCCCCC2)CC[N@@H+]1C ZINC000110753234 194356878 /nfs/dbraw/zinc/35/68/78/194356878.db2.gz SWNLBGMVTPFZST-ZDUSSCGKSA-N 1 0 311.495 2.166 10 0 DEAERO CCCC(CCC)(C(N)=S)C(=O)N1CC[N@H+](C)[C@H](CC)C1 ZINC000110753251 194356220 /nfs/dbraw/zinc/35/62/20/194356220.db2.gz OMABSBVOMPYWAY-CYBMUJFWSA-N 1 0 313.511 2.412 10 0 DEAERO O=S(=O)(c1ccc(NCC[C@@H]2CCC[NH2+]C2)cc1)C(F)F ZINC000110793351 194359771 /nfs/dbraw/zinc/35/97/71/194359771.db2.gz QMSYTIBKSKQJMF-NSHDSACASA-N 1 0 318.389 2.485 10 0 DEAERO O=S(=O)(c1ccc(NCC[C@H]2CC[NH2+]C2)cc1)C(F)F ZINC000110798427 194359981 /nfs/dbraw/zinc/35/99/81/194359981.db2.gz WCBCTCOTBJVKBK-SNVBAGLBSA-N 1 0 304.362 2.094 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000110927803 194369647 /nfs/dbraw/zinc/36/96/47/194369647.db2.gz JSLVLAURXHJOLR-LBPRGKRZSA-N 1 0 302.827 2.021 10 0 DEAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1c(F)cccc1F ZINC000110942442 194372547 /nfs/dbraw/zinc/37/25/47/194372547.db2.gz KTMRIKFXHMUNOW-NSHDSACASA-N 1 0 318.389 2.118 10 0 DEAERO CC[C@H]([NH3+])[C@@H](SCCS(C)(=O)=O)c1ccc(OC)cc1 ZINC000111004088 194380182 /nfs/dbraw/zinc/38/01/82/194380182.db2.gz TWTPIMOTQJYNDV-KBPBESRZSA-N 1 0 317.476 2.251 10 0 DEAERO CCN[C@@](C)(CCCC[N@H+](CC)CCOCC)C(=O)OC ZINC000111121819 194392130 /nfs/dbraw/zinc/39/21/30/194392130.db2.gz KOZRLIJIMLPNEV-INIZCTEOSA-N 1 0 302.459 2.056 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)COc1ccccc1O)c1ccccc1 ZINC000111130265 194393834 /nfs/dbraw/zinc/39/38/34/194393834.db2.gz HZYCQGUNLDMLTO-HNNXBMFYSA-N 1 0 314.385 2.190 10 0 DEAERO CC[NH2+][C@@H](c1cc2c(cc1Cl)OCCO2)[C@H]1COCCO1 ZINC000055300220 183977570 /nfs/dbraw/zinc/97/75/70/183977570.db2.gz WJAZBPDWPPKXRL-CABCVRRESA-N 1 0 313.781 2.177 10 0 DEAERO CC(C)(C(=O)N1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000057655253 184044398 /nfs/dbraw/zinc/04/43/98/184044398.db2.gz YPSULCIEIKWJSO-UHFFFAOYSA-N 1 0 311.223 2.159 10 0 DEAERO C[C@H]1CCCC[C@H]1OCCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000057777168 184052887 /nfs/dbraw/zinc/05/28/87/184052887.db2.gz CIPCDMIVPLZEFE-DOTOQJQBSA-N 1 0 323.481 2.461 10 0 DEAERO CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)CCOC(C)C)C(=O)[O-] ZINC000157511635 197192984 /nfs/dbraw/zinc/19/29/84/197192984.db2.gz CATSYIZXZTXNDH-INIZCTEOSA-N 1 0 302.459 2.355 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NC[C@H]1CCCC(F)(F)C1 ZINC000554605557 291774591 /nfs/dbraw/zinc/77/45/91/291774591.db2.gz UCHPDUNNKWKWHR-LBPRGKRZSA-N 1 0 312.364 2.040 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000061231144 184166752 /nfs/dbraw/zinc/16/67/52/184166752.db2.gz ZZOVBYYCZHIBMO-SNVBAGLBSA-N 1 0 307.785 2.105 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000061270754 184167148 /nfs/dbraw/zinc/16/71/48/184167148.db2.gz HIBXGWIMXOFOGM-SNVBAGLBSA-N 1 0 311.813 2.368 10 0 DEAERO CC(C)[NH+](CCNc1nc(Cl)nc(N(C)C)n1)C(C)C ZINC000061536245 184172177 /nfs/dbraw/zinc/17/21/77/184172177.db2.gz FPFNJBFTKBMSQZ-UHFFFAOYSA-N 1 0 300.838 2.122 10 0 DEAERO CCN(CC)c1nc(Cl)nc(N[C@H]2CCC[N@H+](CC)C2)n1 ZINC000061539221 184172836 /nfs/dbraw/zinc/17/28/36/184172836.db2.gz FFLUJTOIAQMDCF-NSHDSACASA-N 1 0 312.849 2.267 10 0 DEAERO CCCn1c(S[C@H](c2ccccc2C)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594848 184176717 /nfs/dbraw/zinc/17/67/17/184176717.db2.gz QFBFDALLPCRQOB-AAEUAGOBSA-N 1 0 306.435 2.470 10 0 DEAERO O=C(Nc1cc(Br)ccc1Cl)[C@@H]1C[NH2+]CCO1 ZINC000061692451 184183393 /nfs/dbraw/zinc/18/33/93/184183393.db2.gz PDAXPCVOQXJSLA-JTQLQIEISA-N 1 0 319.586 2.029 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(Br)cn1 ZINC000061874615 184191759 /nfs/dbraw/zinc/19/17/59/184191759.db2.gz YRUWHSAVBWGEGF-NSHDSACASA-N 1 0 312.211 2.010 10 0 DEAERO CCCc1nc(N2CCN(CC(F)(F)F)CC2)sc1C[NH3+] ZINC000061948572 184197785 /nfs/dbraw/zinc/19/77/85/184197785.db2.gz HOPPJBXBVXVABJ-UHFFFAOYSA-N 1 0 322.400 2.239 10 0 DEAERO CC(C)[C@H]1CC[C@H](O)[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000061942848 184197882 /nfs/dbraw/zinc/19/78/82/184197882.db2.gz XGVXJRWOZPEOBN-MJBXVCDLSA-N 1 0 308.388 2.352 10 0 DEAERO C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000062027784 184201686 /nfs/dbraw/zinc/20/16/86/184201686.db2.gz WRVTXUPFTAQRGS-NEPJUHHUSA-N 1 0 316.854 2.415 10 0 DEAERO C[C@@H](CNC(=O)C1(C(N)=S)CCCCC1)C[NH+]1CCCC1 ZINC000062079913 184205063 /nfs/dbraw/zinc/20/50/63/184205063.db2.gz JEWXBTPTPVHHSV-ZDUSSCGKSA-N 1 0 311.495 2.071 10 0 DEAERO CCCNC(=O)N1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC000062090178 184205554 /nfs/dbraw/zinc/20/55/54/184205554.db2.gz HKAQKIAPKSFWFM-UHFFFAOYSA-N 1 0 314.433 2.448 10 0 DEAERO C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000062187542 184216942 /nfs/dbraw/zinc/21/69/42/184216942.db2.gz YEZKIBGWTHNOEO-ZDUSSCGKSA-N 1 0 304.415 2.055 10 0 DEAERO C[C@@H](Cc1ccccc1)NS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000062190115 184217508 /nfs/dbraw/zinc/21/75/08/184217508.db2.gz LWRVXLOOGZPHDU-GOEBONIOSA-N 1 0 310.463 2.069 10 0 DEAERO Nc1c(Cl)ncnc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000062365283 184233004 /nfs/dbraw/zinc/23/30/04/184233004.db2.gz JGPNONISNQKXKK-GFCCVEGCSA-N 1 0 304.781 2.366 10 0 DEAERO COCC[NH2+]Cc1ccc(OCCOC)c(Br)c1 ZINC000062728155 184250849 /nfs/dbraw/zinc/25/08/49/184250849.db2.gz DCJDCVKBQCUBTO-UHFFFAOYSA-N 1 0 318.211 2.210 10 0 DEAERO CC(C)C[NH2+]Cc1ccccc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC000062736358 184251425 /nfs/dbraw/zinc/25/14/25/184251425.db2.gz DGERFBAXFSGDKA-HNNXBMFYSA-N 1 0 310.463 2.056 10 0 DEAERO C[NH2+][C@@H](CCSc1ccc(Br)cc1)C(N)=O ZINC000062596970 184245087 /nfs/dbraw/zinc/24/50/87/184245087.db2.gz PSOLTTXMGGBCJT-JTQLQIEISA-N 1 0 303.225 2.005 10 0 DEAERO CCC[NH2+]Cc1ccc(O[C@H](C)C(N)=O)c(Br)c1 ZINC000062701558 184247987 /nfs/dbraw/zinc/24/79/87/184247987.db2.gz HKRNMGOWOHXNHZ-SECBINFHSA-N 1 0 315.211 2.201 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000063213903 184278967 /nfs/dbraw/zinc/27/89/67/184278967.db2.gz MPWRYTIUHHGSFF-RKDXNWHRSA-N 1 0 308.856 2.340 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1F ZINC000063213659 184278996 /nfs/dbraw/zinc/27/89/96/184278996.db2.gz ABXIMJXUVKVXSM-MNOVXSKESA-N 1 0 320.817 2.417 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@H]2[NH3+])s1 ZINC000063214089 184279078 /nfs/dbraw/zinc/27/90/78/184279078.db2.gz IFQKPKNTVCYKSV-VXGBXAGGSA-N 1 0 302.465 2.249 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2nc(NC)ccc2Cl)C1 ZINC000062984864 184264703 /nfs/dbraw/zinc/26/47/03/184264703.db2.gz PMDBGJFJMKSMRL-LLVKDONJSA-N 1 0 310.829 2.333 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)Cc1cc(F)cc(F)c1 ZINC000063017110 184267124 /nfs/dbraw/zinc/26/71/24/184267124.db2.gz OJYLMXLWXRHYRV-AWEZNQCLSA-N 1 0 305.390 2.310 10 0 DEAERO CCN(C(C)=O)c1nc(CN2CCCC[C@H]2C[NH2+]C)cs1 ZINC000063168351 184275565 /nfs/dbraw/zinc/27/55/65/184275565.db2.gz HLMCPNWKHDXPOZ-AWEZNQCLSA-N 1 0 310.467 2.090 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(Br)o1 ZINC000063167744 184275578 /nfs/dbraw/zinc/27/55/78/184275578.db2.gz GCXFQYSBNNRGAZ-SECBINFHSA-N 1 0 301.184 2.256 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000063168241 184275805 /nfs/dbraw/zinc/27/58/05/184275805.db2.gz WFDRLDDWSDIHGV-NSHDSACASA-N 1 0 320.817 2.242 10 0 DEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cccc(CCC(=O)N(C)C)c1 ZINC000066068229 184386481 /nfs/dbraw/zinc/38/64/81/184386481.db2.gz WNYJAVFAAPRTIT-ZDUSSCGKSA-N 1 0 305.422 2.034 10 0 DEAERO CCCCNC(=O)c1ccc(NC(=O)C[NH+](CC)CC)cc1 ZINC000066212114 184396909 /nfs/dbraw/zinc/39/69/09/184396909.db2.gz WZNFBTDZZSYAIN-UHFFFAOYSA-N 1 0 305.422 2.497 10 0 DEAERO COc1ncc(-c2cc3c(c(Cl)c2)O[C@H](C[NH3+])C3)c(OC)n1 ZINC000067688825 184479395 /nfs/dbraw/zinc/47/93/95/184479395.db2.gz JTGBJUOKLPNNTM-JTQLQIEISA-N 1 0 321.764 2.076 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CCc1nc(-c2cccs2)no1 ZINC000538316642 285031294 /nfs/dbraw/zinc/03/12/94/285031294.db2.gz FQNSLCMMILDHBB-UHFFFAOYSA-N 1 0 322.434 2.141 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000538315456 285031441 /nfs/dbraw/zinc/03/14/41/285031441.db2.gz IORCXINQPGLICP-ZDUSSCGKSA-N 1 0 310.825 2.301 10 0 DEAERO CCN(CCc1nccs1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000119676869 195015442 /nfs/dbraw/zinc/01/54/42/195015442.db2.gz HBMINWQLFYWIGB-CYBMUJFWSA-N 1 0 312.483 2.447 10 0 DEAERO c1[nH]nc2cc(C[N@@H+]3CCCN(c4cccnn4)CC3)ccc12 ZINC000120122139 195100499 /nfs/dbraw/zinc/10/04/99/195100499.db2.gz USJTYCIWDMKPIS-UHFFFAOYSA-N 1 0 308.389 2.065 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CCc1nnc(C2CCCC2)o1 ZINC000539416341 285076718 /nfs/dbraw/zinc/07/67/18/285076718.db2.gz YVZXDVBXTZLFKC-UHFFFAOYSA-N 1 0 308.426 2.070 10 0 DEAERO c1cn(Cc2ccccc2)c(C[NH2+][C@H]2CCc3c[nH]nc3C2)n1 ZINC000539516007 285079548 /nfs/dbraw/zinc/07/95/48/285079548.db2.gz ZHNUOCUWWYEMBC-INIZCTEOSA-N 1 0 307.401 2.302 10 0 DEAERO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000539726598 285085485 /nfs/dbraw/zinc/08/54/85/285085485.db2.gz DRZDMIOLTGQWSR-YOEHRIQHSA-N 1 0 316.401 2.319 10 0 DEAERO O[C@H](COCc1ccccc1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000120200118 195116632 /nfs/dbraw/zinc/11/66/32/195116632.db2.gz KHSKLOKRZZKUMN-WMZOPIPTSA-N 1 0 305.418 2.065 10 0 DEAERO Cc1cc(C[C@H](C)[NH2+]C2CCC(O)(C(F)(F)F)CC2)[nH]n1 ZINC000540160460 285111513 /nfs/dbraw/zinc/11/15/13/285111513.db2.gz VMFBXWSAGYKZAG-FJJSSXBZSA-N 1 0 305.344 2.475 10 0 DEAERO C[NH2+][C@H](C[S@](=O)c1ccc2c(c1)OCCO2)C1CCCC1 ZINC000159161363 197332268 /nfs/dbraw/zinc/33/22/68/197332268.db2.gz DHRWZBQINKIVQV-SPLOXXLWSA-N 1 0 309.431 2.344 10 0 DEAERO O=C(NCC[C@H]1CCC[NH2+]1)c1sccc1Br ZINC000159218784 197337312 /nfs/dbraw/zinc/33/73/12/197337312.db2.gz JSHYPRIPSISTTM-MRVPVSSYSA-N 1 0 303.225 2.383 10 0 DEAERO CC1(C)CN(C2CCS(=O)CC2)[C@@H](c2ccccc2)C[NH2+]1 ZINC000159220152 197337076 /nfs/dbraw/zinc/33/70/76/197337076.db2.gz URRIJJBNSNLIAV-ZGOJQLDESA-N 1 0 306.475 2.323 10 0 DEAERO CC[C@@H](C)CNS(=O)(=O)c1cc(C)c(F)c(C[NH2+]C)c1 ZINC000159111786 197328196 /nfs/dbraw/zinc/32/81/96/197328196.db2.gz HEOXRPAKELYUGW-SNVBAGLBSA-N 1 0 302.415 2.178 10 0 DEAERO CCc1cc(N2CCC([NH2+][C@@H](COC)C(C)C)CC2)ncn1 ZINC000159092169 197326470 /nfs/dbraw/zinc/32/64/70/197326470.db2.gz JAUWEMURTVGRBC-INIZCTEOSA-N 1 0 306.454 2.268 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CC[C@H](C)C2)cc(C)c1F ZINC000159094010 197326250 /nfs/dbraw/zinc/32/62/50/197326250.db2.gz JBEWULGNVOJYAS-NSHDSACASA-N 1 0 314.426 2.274 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N(C)CC(C)C)cc(C)c1F ZINC000159065040 197323536 /nfs/dbraw/zinc/32/35/36/197323536.db2.gz QIFRSMNEXHKHMW-UHFFFAOYSA-N 1 0 302.415 2.130 10 0 DEAERO CCCCN(CC)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159054080 197322410 /nfs/dbraw/zinc/32/24/10/197322410.db2.gz AVXGYEQQFLHQCD-UHFFFAOYSA-N 1 0 302.415 2.404 10 0 DEAERO CC[NH2+][C@H](C[S@](=O)c1ccc(F)cc1F)[C@@H]1CCOC1 ZINC000159040129 197321829 /nfs/dbraw/zinc/32/18/29/197321829.db2.gz CYTRKYIIIWQGQO-REWMRKHYSA-N 1 0 303.374 2.087 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000158997397 197317894 /nfs/dbraw/zinc/31/78/94/197317894.db2.gz VNNKWKYAAFHLOO-QMTHXVAHSA-N 1 0 318.389 2.021 10 0 DEAERO CC[C@@H]([NH3+])Cc1ccc(Sc2ncnc3[nH]cnc32)nc1 ZINC000158971022 197315403 /nfs/dbraw/zinc/31/54/03/197315403.db2.gz MTURAZCKWATOQH-SNVBAGLBSA-N 1 0 300.391 2.179 10 0 DEAERO CSc1nc(N2CCCOc3ccccc32)cc(NN)[nH+]1 ZINC000158872612 197307696 /nfs/dbraw/zinc/30/76/96/197307696.db2.gz PKCMGTHVDAQXHS-UHFFFAOYSA-N 1 0 303.391 2.405 10 0 DEAERO [NH3+]Cc1sccc1S(=O)(=O)N1CCCOc2ccccc21 ZINC000158857642 197306719 /nfs/dbraw/zinc/30/67/19/197306719.db2.gz HQOCNUQBQLJGSE-UHFFFAOYSA-N 1 0 324.427 2.185 10 0 DEAERO Cc1cc(C[NH2+]C(C)(C)C)cnc1SCCS(C)(=O)=O ZINC000158844495 197305857 /nfs/dbraw/zinc/30/58/57/197305857.db2.gz OWCRTWNMSDJVQJ-UHFFFAOYSA-N 1 0 316.492 2.415 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)c1cccc(Cl)c1)[C@H]1CCOC1 ZINC000158837399 197305730 /nfs/dbraw/zinc/30/57/30/197305730.db2.gz AMDSBSAHSVKGOZ-SMDDNHRTSA-N 1 0 317.838 2.128 10 0 DEAERO Cc1cc(CC[NH3+])cnc1Oc1ccc(S(C)(=O)=O)cc1 ZINC000158821451 197303922 /nfs/dbraw/zinc/30/39/22/197303922.db2.gz FSGMZQBJPHNWBP-UHFFFAOYSA-N 1 0 306.387 2.087 10 0 DEAERO CCc1ccc(NC(=O)NCCC[N@H+](C)CCOC)cc1F ZINC000158918360 197311480 /nfs/dbraw/zinc/31/14/80/197311480.db2.gz UOZNCFSVAKVPRH-UHFFFAOYSA-N 1 0 311.401 2.478 10 0 DEAERO C[C@@H]1C[C@@H](n2c(N)nc3cc(Br)cnc32)CC[N@@H+]1C ZINC000158663687 197293027 /nfs/dbraw/zinc/29/30/27/197293027.db2.gz UJKCOGRZSFFCPL-SCZZXKLOSA-N 1 0 324.226 2.431 10 0 DEAERO CN(CC[NH2+][C@H]1CCCc2[nH]c(=O)ccc21)C(=O)OC(C)(C)C ZINC000158730710 197297252 /nfs/dbraw/zinc/29/72/52/197297252.db2.gz LSSLDFBTJMEYGI-ZDUSSCGKSA-N 1 0 321.421 2.209 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000158729237 197296861 /nfs/dbraw/zinc/29/68/61/197296861.db2.gz GHWDWXUVYDESIX-IUODEOHRSA-N 1 0 315.410 2.004 10 0 DEAERO CC[NH2+][C@@H](Cc1ccccn1)c1c(Br)cnn1C ZINC000158703431 197296115 /nfs/dbraw/zinc/29/61/15/197296115.db2.gz GJWWNWDPTCSVHF-LBPRGKRZSA-N 1 0 309.211 2.471 10 0 DEAERO CC(C)CO[C@H]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000158618118 197288952 /nfs/dbraw/zinc/28/89/52/197288952.db2.gz YQGKPABRTDSZGN-HOTGVXAUSA-N 1 0 313.486 2.419 10 0 DEAERO C[C@@H]1C[C@@H](Nc2nc(Cl)nc(N3CCCC3)n2)CC[N@@H+]1C ZINC000158605842 197287892 /nfs/dbraw/zinc/28/78/92/197287892.db2.gz OMPZOUNAKMGZEN-MNOVXSKESA-N 1 0 310.833 2.020 10 0 DEAERO CN(c1ccccc1S(=O)(=O)C(F)F)[C@H]1CCCC[C@@H]1[NH3+] ZINC000158534634 197281378 /nfs/dbraw/zinc/28/13/78/197281378.db2.gz KTTDJCQAFJWXMX-QWRGUYRKSA-N 1 0 318.389 2.389 10 0 DEAERO [NH3+]C[C@H](c1ccc(Br)cc1)[C@H](O)c1ncccn1 ZINC000158506343 197279627 /nfs/dbraw/zinc/27/96/27/197279627.db2.gz CRWYGKNGIPTXNV-NEPJUHHUSA-N 1 0 308.179 2.015 10 0 DEAERO Cc1cc(Br)c(-n2cc(CC[NH3+])nn2)cc1Cl ZINC000158138487 197246880 /nfs/dbraw/zinc/24/68/80/197246880.db2.gz GUWBQBNSIICVPS-UHFFFAOYSA-N 1 0 315.602 2.493 10 0 DEAERO CCOCC[N@H+](C)CCCC[C@@](C)(NC(C)C)C(=O)OC ZINC000157467705 197189950 /nfs/dbraw/zinc/18/99/50/197189950.db2.gz ZONLXZYNRNATGJ-MRXNPFEDSA-N 1 0 302.459 2.055 10 0 DEAERO CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]([N@H+](C)CCOC(C)C)C1 ZINC000157510998 197193220 /nfs/dbraw/zinc/19/32/20/197193220.db2.gz AIQFYQYXDXZCDT-ZBFHGGJFSA-N 1 0 300.443 2.107 10 0 DEAERO CCC[NH2+][C@](C)(CCCC[N@H+](C)CCOC(C)C)C(=O)[O-] ZINC000157512082 197193260 /nfs/dbraw/zinc/19/32/60/197193260.db2.gz FYODXGZPOVLNAC-MRXNPFEDSA-N 1 0 302.459 2.356 10 0 DEAERO C[NH+](C)Cc1ccccc1CNC(=O)c1nnc(Cl)s1 ZINC000157168373 197167184 /nfs/dbraw/zinc/16/71/84/197167184.db2.gz OBHUFDZQDZAFRG-UHFFFAOYSA-N 1 0 310.810 2.183 10 0 DEAERO C[NH+](C)C1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000157165071 197167293 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C[C@H]1C[C@H]([NH3+])CCN1c1ccc(C(N)=O)c(C(F)(F)F)c1 ZINC000156231923 197097024 /nfs/dbraw/zinc/09/70/24/197097024.db2.gz QUNCAMWJKOJDKW-DTWKUNHWSA-N 1 0 301.312 2.120 10 0 DEAERO Cc1sc2nc(CN3CC[C@H]([NH3+])C[C@@H]3C)nc(N)c2c1C ZINC000156192466 197093843 /nfs/dbraw/zinc/09/38/43/197093843.db2.gz IHPGRRXDBIGPNI-KWQFWETISA-N 1 0 305.451 2.202 10 0 DEAERO COC(=O)[C@H](c1cccnc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000156154291 197090117 /nfs/dbraw/zinc/09/01/17/197090117.db2.gz OTDGWDAFPVKSOW-KRWDZBQOSA-N 1 0 317.433 2.104 10 0 DEAERO CC(C)[NH2+]CCNC(=O)c1cccc(F)c1Br ZINC000155981884 197078633 /nfs/dbraw/zinc/07/86/33/197078633.db2.gz HMDOVTGMRAGIQV-UHFFFAOYSA-N 1 0 303.175 2.316 10 0 DEAERO CC(C)c1ccc([S@@](=O)CCC(=O)N(C)CCC[NH3+])cc1 ZINC000155952924 197076937 /nfs/dbraw/zinc/07/69/37/197076937.db2.gz ZKFVCUONRBNVAC-OAQYLSRUSA-N 1 0 310.463 2.115 10 0 DEAERO Cc1cc2c(cc1C)O[C@H](C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C)C2 ZINC000155306249 197041987 /nfs/dbraw/zinc/04/19/87/197041987.db2.gz WEOTUPAZWPOMJE-ZQIUZPCESA-N 1 0 302.418 2.158 10 0 DEAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](CCCS(C)(=O)=O)C2)cc1 ZINC000155281952 197039194 /nfs/dbraw/zinc/03/91/94/197039194.db2.gz RPCUELNDHWZASS-DZGCQCFKSA-N 1 0 311.447 2.308 10 0 DEAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](CCN3CCCC3=O)C2)cc1 ZINC000155257552 197036579 /nfs/dbraw/zinc/03/65/79/197036579.db2.gz OZVKEUYTJIVQOW-ZBFHGGJFSA-N 1 0 302.418 2.495 10 0 DEAERO COc1ccc(CC2CC[NH+](CC(=O)NC(C)C)CC2)cc1 ZINC000155182807 197029889 /nfs/dbraw/zinc/02/98/89/197029889.db2.gz JSIPMDMRAKLWOK-UHFFFAOYSA-N 1 0 304.434 2.474 10 0 DEAERO CCOc1ccccc1OCC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155178880 197029928 /nfs/dbraw/zinc/02/99/28/197029928.db2.gz ASSUCJKFFORCKU-OKILXGFUSA-N 1 0 306.406 2.015 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000245477355 285242333 /nfs/dbraw/zinc/24/23/33/285242333.db2.gz UILNYGISCDVHAH-QBPKDAKJSA-N 1 0 309.498 2.296 10 0 DEAERO CCc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000120678439 195214145 /nfs/dbraw/zinc/21/41/45/195214145.db2.gz FNITWOFKRXTLOX-CJNGLKHVSA-N 1 0 317.433 2.129 10 0 DEAERO CC[C@H]1CN(CC2=Cc3ccccc3OC2)CC[N@@H+]1C[C@@H](C)O ZINC000120726487 195225878 /nfs/dbraw/zinc/22/58/78/195225878.db2.gz DFJYOXLCMQDABV-QAPCUYQASA-N 1 0 316.445 2.239 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(COC)cc2)C[C@@H]1C ZINC000120876807 195256119 /nfs/dbraw/zinc/25/61/19/195256119.db2.gz ZKSIOAIXKJKQDO-INIZCTEOSA-N 1 0 306.450 2.376 10 0 DEAERO Cc1onc(-c2ccccn2)c1C(=O)N1CCC([NH+](C)C)CC1 ZINC000120847672 195250041 /nfs/dbraw/zinc/25/00/41/195250041.db2.gz RDYXLALEOZCKMJ-UHFFFAOYSA-N 1 0 314.389 2.211 10 0 DEAERO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1OC ZINC000152362514 196813308 /nfs/dbraw/zinc/81/33/08/196813308.db2.gz FRYQOOSXGBOZLD-QWHCGFSZSA-N 1 0 306.406 2.284 10 0 DEAERO C[C@H](N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1nnnn1C1CC1 ZINC000289498721 221021141 /nfs/dbraw/zinc/02/11/41/221021141.db2.gz ZUXXYYZMCVVPOL-MAZHCROVSA-N 1 0 312.421 2.104 10 0 DEAERO COc1ccccc1C[N@@H+]1CC[C@H]2OCCN(C(C)C)[C@@H]2C1 ZINC000247986046 257113607 /nfs/dbraw/zinc/11/36/07/257113607.db2.gz IUTCJPBOSCFSSA-SJLPKXTDSA-N 1 0 304.434 2.379 10 0 DEAERO c1cc(C[N@H+]2CC[C@@]3(C[C@@H](OCC4CCOCC4)CO3)C2)co1 ZINC000247840310 257115957 /nfs/dbraw/zinc/11/59/57/257115957.db2.gz NPWNGLBCVYDWAN-QZTJIDSGSA-N 1 0 321.417 2.456 10 0 DEAERO CO[C@@H]1CCN(C2CCC2)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000247812729 257117902 /nfs/dbraw/zinc/11/79/02/257117902.db2.gz DLDGENYHUJEZMN-FGTMMUONSA-N 1 0 301.434 2.155 10 0 DEAERO CC[N@@H+]1C[C@H](COC)[C@@]2(CCN(C(=O)c3occc3C)C2)C1 ZINC000253478852 257105590 /nfs/dbraw/zinc/10/55/90/257105590.db2.gz NJWYSKBTZFLBSJ-PBHICJAKSA-N 1 0 306.406 2.018 10 0 DEAERO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000328619312 257263974 /nfs/dbraw/zinc/26/39/74/257263974.db2.gz FSIRXHIABILVPC-UONOGXRCSA-N 1 0 323.828 2.044 10 0 DEAERO Cc1sc2nc(CN3CC[NH+](C(C)C)CC3)nc(N)c2c1C ZINC000123757305 224615854 /nfs/dbraw/zinc/61/58/54/224615854.db2.gz YMPSCBALIYRZEE-UHFFFAOYSA-N 1 0 319.478 2.416 10 0 DEAERO Cc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000121812856 195352575 /nfs/dbraw/zinc/35/25/75/195352575.db2.gz FOYNSOLUDCMQCI-AWEZNQCLSA-N 1 0 305.422 2.026 10 0 DEAERO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000121853865 195361642 /nfs/dbraw/zinc/36/16/42/195361642.db2.gz XCFIZYGZFYKEAA-HZSPNIEDSA-N 1 0 308.447 2.162 10 0 DEAERO Cc1ccc(NC(=O)C2CC[NH+](Cc3cncnc3)CC2)nc1 ZINC000122013546 195390436 /nfs/dbraw/zinc/39/04/36/195390436.db2.gz HWGRACPYEHIWAM-UHFFFAOYSA-N 1 0 311.389 2.031 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCCC2)cc(F)c1Cl ZINC000122090122 195399572 /nfs/dbraw/zinc/39/95/72/195399572.db2.gz OKMKLORKZKFIER-UHFFFAOYSA-N 1 0 320.817 2.373 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)CCOC)[C@@H](C)C1 ZINC000248761605 285367672 /nfs/dbraw/zinc/36/76/72/285367672.db2.gz YFKAXMOKKBWARO-LSDHHAIUSA-N 1 0 313.486 2.421 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000122206164 195418141 /nfs/dbraw/zinc/41/81/41/195418141.db2.gz XHKMANVDSATQNV-JSGCOSHPSA-N 1 0 304.415 2.198 10 0 DEAERO CC[C@H]1CN(S(=O)(=O)c2cc(C)sc2C)CC[C@@H]1[NH3+] ZINC000122663136 195482653 /nfs/dbraw/zinc/48/26/53/195482653.db2.gz WFXSOBBQILZFJH-RYUDHWBXSA-N 1 0 302.465 2.113 10 0 DEAERO O=C(C[C@H]1CSCCS1)N1CCC([NH+]2CCCC2)CC1 ZINC000123277764 195563338 /nfs/dbraw/zinc/56/33/38/195563338.db2.gz KDEOJYJQGRGPOY-AWEZNQCLSA-N 1 0 314.520 2.312 10 0 DEAERO NNc1nc(N[C@@H]2C[C@H]2c2ccccc2)c(Br)c[nH+]1 ZINC000123326450 195567682 /nfs/dbraw/zinc/56/76/82/195567682.db2.gz FSACUTQNANLOOX-GXSJLCMTSA-N 1 0 320.194 2.493 10 0 DEAERO NNc1nc(N[C@H]2C[C@H]2c2ccccc2)c(Br)c[nH+]1 ZINC000123326009 195567993 /nfs/dbraw/zinc/56/79/93/195567993.db2.gz FSACUTQNANLOOX-ONGXEEELSA-N 1 0 320.194 2.493 10 0 DEAERO C[C@@H]1CN(c2cc(OC(F)F)c(F)cc2N)C[C@@H]1[NH+](C)C ZINC000123404491 195578174 /nfs/dbraw/zinc/57/81/74/195578174.db2.gz PVARTRAMFFKZRB-PELKAZGASA-N 1 0 303.328 2.396 10 0 DEAERO CC(C)[C@H](O)C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000124829318 195684697 /nfs/dbraw/zinc/68/46/97/195684697.db2.gz KLCRCUYFIVWRNQ-DGCLKSJQSA-N 1 0 322.232 2.340 10 0 DEAERO CCCCOCCOCCOCCOC(CC)(CC)C[NH3+] ZINC000124917264 195693305 /nfs/dbraw/zinc/69/33/05/195693305.db2.gz LLFMEDCPLTZXCK-UHFFFAOYSA-N 1 0 305.459 2.370 10 0 DEAERO CSCCN(C)[C@@H](C[NH3+])c1cncc(Br)c1 ZINC000124983912 195700098 /nfs/dbraw/zinc/70/00/98/195700098.db2.gz APULBHABVOTCOB-NSHDSACASA-N 1 0 304.257 2.139 10 0 DEAERO CC[C@@H](CSC)N(C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000125209289 195722690 /nfs/dbraw/zinc/72/26/90/195722690.db2.gz HSIDKROBJREUFX-AWEZNQCLSA-N 1 0 316.492 2.049 10 0 DEAERO COCCOCCOCCO[C@@H](C)CCC[NH2+]CC(C)C ZINC000127154727 195852882 /nfs/dbraw/zinc/85/28/82/195852882.db2.gz ASDRCIKTSWGAIP-INIZCTEOSA-N 1 0 305.459 2.097 10 0 DEAERO COCCn1ncc(Br)c1[C@H]([NH3+])[C@H](C)C1CC1 ZINC000127664189 195898593 /nfs/dbraw/zinc/89/85/93/195898593.db2.gz HNLPQTQILJUTHT-LDYMZIIASA-N 1 0 302.216 2.338 10 0 DEAERO Cc1ccc([C@H](C)C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000561505463 291963072 /nfs/dbraw/zinc/96/30/72/291963072.db2.gz VHHBROYLYBPTDA-MJJDPTRDSA-N 1 0 315.417 2.209 10 0 DEAERO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)[C@H]1CCCO1 ZINC000128364606 195957915 /nfs/dbraw/zinc/95/79/15/195957915.db2.gz ZISHIPQTOKCSNN-CAOSSQGBSA-N 1 0 311.470 2.316 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)c2cnc(NCC)s2)CC1 ZINC000128405940 195961103 /nfs/dbraw/zinc/96/11/03/195961103.db2.gz KWLUEZYGCOHIKM-UHFFFAOYSA-N 1 0 310.467 2.427 10 0 DEAERO CCOc1cc(C[NH3+])cc(Br)c1OC[C@@H](C)CO ZINC000128017639 195929318 /nfs/dbraw/zinc/92/93/18/195929318.db2.gz BVIKELTXMHISKN-VIFPVBQESA-N 1 0 318.211 2.314 10 0 DEAERO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Nc1nncs1 ZINC000047320962 132483616 /nfs/dbraw/zinc/48/36/16/132483616.db2.gz UFUWAJKFIMVTKY-UHFFFAOYSA-N 1 0 323.397 2.273 10 0 DEAERO CCCCCCNC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047968833 132484372 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CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3ccccc3n2)[C@@H](C)C1 ZINC000247516391 145140467 /nfs/dbraw/zinc/14/04/67/145140467.db2.gz WCTPITGFTLYECZ-GOEBONIOSA-N 1 0 314.433 2.066 10 0 DEAERO CCNC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247921194 145144622 /nfs/dbraw/zinc/14/46/22/145144622.db2.gz BDZAXWHDATYXBU-ROUUACIJSA-N 1 0 315.461 2.109 10 0 DEAERO COCc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247967955 145145833 /nfs/dbraw/zinc/14/58/33/145145833.db2.gz GZRNSXILYUJNSQ-DLBZAZTESA-N 1 0 302.418 2.389 10 0 DEAERO COC(=O)c1ccccc1OCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248406096 145153108 /nfs/dbraw/zinc/15/31/08/145153108.db2.gz AYCKDFHGOVLYNR-HNNXBMFYSA-N 1 0 318.417 2.022 10 0 DEAERO COC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248425174 145153967 /nfs/dbraw/zinc/15/39/67/145153967.db2.gz NVNQOTGANHMPLU-HOCLYGCPSA-N 1 0 319.401 2.353 10 0 DEAERO CC[C@@H]1CN(C(=O)C2C[C@H](C)C[C@@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000248413035 145154194 /nfs/dbraw/zinc/15/41/94/145154194.db2.gz KTGVITOJOMDUPM-PNBKFKSVSA-N 1 0 310.482 2.362 10 0 DEAERO Cc1cc(C)cc([C@H]2CC[N@H+](C[C@@H](O)CN3CCCC3=O)C2)c1 ZINC000248464896 145156149 /nfs/dbraw/zinc/15/61/49/145156149.db2.gz RHWNSCAWMYFDSF-FUHWJXTLSA-N 1 0 316.445 2.076 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3csc(-c4ccccn4)n3)C[C@H]12 ZINC000248558024 145158518 /nfs/dbraw/zinc/15/85/18/145158518.db2.gz AGDSWSDWOWJXST-SDDRHHMPSA-N 1 0 314.414 2.014 10 0 DEAERO Cc1nc(C[C@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)no1 ZINC000248578668 145159346 /nfs/dbraw/zinc/15/93/46/145159346.db2.gz OAWRTQOROVMVJC-ZBFHGGJFSA-N 1 0 309.410 2.176 10 0 DEAERO COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(CC[NH2+]C(C)C)C1 ZINC000248711949 145165167 /nfs/dbraw/zinc/16/51/67/145165167.db2.gz CSPWRQUPJPKAEX-IAGOWNOFSA-N 1 0 304.434 2.263 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2ccc(O)cc2)C1 ZINC000248865892 145170621 /nfs/dbraw/zinc/17/06/21/145170621.db2.gz HQCOSRIZPFAKSI-RDJZCZTQSA-N 1 0 302.418 2.268 10 0 DEAERO Cn1cc(-c2cc(C[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)on2)cn1 ZINC000248920723 145173454 /nfs/dbraw/zinc/17/34/54/145173454.db2.gz DZQVKTUJGWNQMX-YOEHRIQHSA-N 1 0 316.405 2.202 10 0 DEAERO CO[C@H]1C[N@H+](Cc2ccc(-n3cncn3)c(C)c2)CC[C@H]1C ZINC000249241018 145180908 /nfs/dbraw/zinc/18/09/08/145180908.db2.gz WQZZPWWUQUQXLX-DYVFJYSZSA-N 1 0 300.406 2.433 10 0 DEAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000249246488 145181699 /nfs/dbraw/zinc/18/16/99/145181699.db2.gz DZHKDXXZUXURLW-SNPRPXQTSA-N 1 0 306.381 2.336 10 0 DEAERO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249587618 145187502 /nfs/dbraw/zinc/18/75/02/145187502.db2.gz UJFLQKKOOHDEGL-VHDGCEQUSA-N 1 0 310.463 2.011 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCc2cccs2)CC[C@@H]1C ZINC000251993112 145197560 /nfs/dbraw/zinc/19/75/60/145197560.db2.gz WCHZMRPTQZGALW-GZBFAFLISA-N 1 0 310.463 2.152 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)CC[C@@H]1C ZINC000252059645 145198175 /nfs/dbraw/zinc/19/81/75/145198175.db2.gz ZPXJVMZYOYLCTO-JGGQBBKZSA-N 1 0 313.825 2.437 10 0 DEAERO COc1cccc(CO[C@@H](C)C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c1 ZINC000252801885 145200381 /nfs/dbraw/zinc/20/03/81/145200381.db2.gz AWOZUKZYEJMTDL-ZNMIVQPWSA-N 1 0 320.433 2.151 10 0 DEAERO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3C)cn2)C[C@@H](C)O1 ZINC000253355564 145202070 /nfs/dbraw/zinc/20/20/70/145202070.db2.gz UCJYNFDSQIGGIV-KCYZZUKISA-N 1 0 319.449 2.210 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1COc2ccccc21 ZINC000253549401 145202362 /nfs/dbraw/zinc/20/23/62/145202362.db2.gz RJTDOPHCYAKBHB-FMKPAKJESA-N 1 0 300.402 2.248 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCc1nc2ccccc2c(=O)[nH]1 ZINC000253542857 145202535 /nfs/dbraw/zinc/20/25/35/145202535.db2.gz JZJIFMZEXVSXKA-KBPBESRZSA-N 1 0 312.417 2.046 10 0 DEAERO Nc1cccc(C[NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000261659952 145214587 /nfs/dbraw/zinc/21/45/87/145214587.db2.gz IUUDAOMBBNXZEZ-LJQANCHMSA-N 1 0 311.429 2.120 10 0 DEAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000261682075 145216156 /nfs/dbraw/zinc/21/61/56/145216156.db2.gz HVTGCAYSPMXEKI-NWDGAFQWSA-N 1 0 317.364 2.219 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000261682073 145216225 /nfs/dbraw/zinc/21/62/25/145216225.db2.gz HVTGCAYSPMXEKI-NEPJUHHUSA-N 1 0 317.364 2.219 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1nc(-c2ccncc2)cs1 ZINC000261693229 145217969 /nfs/dbraw/zinc/21/79/69/145217969.db2.gz HUAGLPBJXZINMH-CHWSQXEVSA-N 1 0 316.430 2.196 10 0 DEAERO C[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000261720360 145219530 /nfs/dbraw/zinc/21/95/30/145219530.db2.gz JFUJRLSRAYWQQS-AZBXIESMSA-N 1 0 320.477 2.461 10 0 DEAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1c(C)noc1C ZINC000261734595 145221360 /nfs/dbraw/zinc/22/13/60/145221360.db2.gz MGYFXGYXIOLUSG-INIZCTEOSA-N 1 0 301.390 2.447 10 0 DEAERO [NH3+][C@H](C(=O)Nc1ccnc(-c2ccccc2)c1)C1CCOCC1 ZINC000261764026 145224516 /nfs/dbraw/zinc/22/45/16/145224516.db2.gz LWLZLIVKZMTENW-KRWDZBQOSA-N 1 0 311.385 2.441 10 0 DEAERO O=C(CN1CCC([C@H]2CCC[NH2+]2)CC1)Nc1cc(F)cc(F)c1 ZINC000261793313 145227292 /nfs/dbraw/zinc/22/72/92/145227292.db2.gz UDPUEEXSPMUJJQ-MRXNPFEDSA-N 1 0 323.387 2.367 10 0 DEAERO COCc1cccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261810773 145228958 /nfs/dbraw/zinc/22/89/58/145228958.db2.gz GMSVMCHRHVQCCD-HDMKZQKVSA-N 1 0 318.417 2.304 10 0 DEAERO O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)c1cccc(Cl)c1 ZINC000261857111 145234353 /nfs/dbraw/zinc/23/43/53/145234353.db2.gz BSVCZDKNFLCIIL-YLFCFFPRSA-N 1 0 324.852 2.120 10 0 DEAERO COc1ccc(C(=O)CCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261876647 145236629 /nfs/dbraw/zinc/23/66/29/145236629.db2.gz OSBILRDMRNPPGR-INIZCTEOSA-N 1 0 318.417 2.244 10 0 DEAERO C[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 ZINC000261885867 145237655 /nfs/dbraw/zinc/23/76/55/145237655.db2.gz SJQJTHADWAUCQY-LLVKDONJSA-N 1 0 319.405 2.134 10 0 DEAERO Cc1cccc(C)c1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261903393 145239180 /nfs/dbraw/zinc/23/91/80/145239180.db2.gz HZMFXBHZRSHPOD-KURKYZTESA-N 1 0 318.461 2.429 10 0 DEAERO C[C@@H]1CCc2ccccc2N1C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261904487 145239945 /nfs/dbraw/zinc/23/99/45/145239945.db2.gz WWDVPIFZTPDPJT-RHSMWYFYSA-N 1 0 315.461 2.414 10 0 DEAERO [NH3+][C@H](C(=O)NCc1csc2ccccc12)C1CCOCC1 ZINC000261909943 145240546 /nfs/dbraw/zinc/24/05/46/145240546.db2.gz XKGAJHFLNPRICN-HNNXBMFYSA-N 1 0 304.415 2.271 10 0 DEAERO C[C@@H]1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000261915553 145240697 /nfs/dbraw/zinc/24/06/97/145240697.db2.gz YCQGZLQBWODVBI-RHSMWYFYSA-N 1 0 312.417 2.001 10 0 DEAERO [NH3+]C1(C(=O)Nc2nc(-c3ccccc3)cs2)CCOCC1 ZINC000261921258 145241977 /nfs/dbraw/zinc/24/19/77/145241977.db2.gz VBDNXKHLVMIDNY-UHFFFAOYSA-N 1 0 303.387 2.257 10 0 DEAERO [NH3+][C@H](C(=O)N1CCC(c2ccccc2)CC1)C1CCOCC1 ZINC000261923863 145242444 /nfs/dbraw/zinc/24/24/44/145242444.db2.gz YZMFVOYATYSNIK-KRWDZBQOSA-N 1 0 302.418 2.147 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 ZINC000261955919 145246041 /nfs/dbraw/zinc/24/60/41/145246041.db2.gz KLTGQAKDJACROR-GOSISDBHSA-N 1 0 301.434 2.488 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000261956876 145246828 /nfs/dbraw/zinc/24/68/28/145246828.db2.gz XGHNSJOOGATVOT-WFASDCNBSA-N 1 0 315.417 2.425 10 0 DEAERO COc1ccc(SCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261977530 145249524 /nfs/dbraw/zinc/24/95/24/145249524.db2.gz LXHZCKWILDQJBL-CQSZACIVSA-N 1 0 308.447 2.373 10 0 DEAERO COC(=O)c1coc(CN(CC[NH3+])CCc2ccccc2)c1 ZINC000262023776 145253603 /nfs/dbraw/zinc/25/36/03/145253603.db2.gz NKWCIWRGKAYQIM-UHFFFAOYSA-N 1 0 302.374 2.070 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc(Nc2cnccn2)c1 ZINC000262024890 145254236 /nfs/dbraw/zinc/25/42/36/145254236.db2.gz RVIDJZDXUGBKNQ-CHWSQXEVSA-N 1 0 311.389 2.030 10 0 DEAERO COc1ccc(C2CCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000262060161 145258499 /nfs/dbraw/zinc/25/84/99/145258499.db2.gz IJVZBDVJEUABKC-CYBMUJFWSA-N 1 0 302.418 2.257 10 0 DEAERO CN(C)c1ncc(CN(CC[NH3+])CCc2ccccc2)s1 ZINC000262087760 145260982 /nfs/dbraw/zinc/26/09/82/145260982.db2.gz UMYANWJFWVRBRH-UHFFFAOYSA-N 1 0 304.463 2.213 10 0 DEAERO C[C@@H](C[C@H]1COCC[NH2+]1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000262101507 145261558 /nfs/dbraw/zinc/26/15/58/145261558.db2.gz IUQPGCCULMRHDF-LRDDRELGSA-N 1 0 303.406 2.214 10 0 DEAERO C[C@@]1(C[NH3+])CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000262098709 145261654 /nfs/dbraw/zinc/26/16/54/145261654.db2.gz UXVZKVGMZRYZSI-KRWDZBQOSA-N 1 0 317.364 2.221 10 0 DEAERO COC1([C@@H](C)[NH2+]CCN2CCc3ccccc3C2)CCOCC1 ZINC000453059388 292134956 /nfs/dbraw/zinc/13/49/56/292134956.db2.gz AYDIVSBTIPFIRF-MRXNPFEDSA-N 1 0 318.461 2.218 10 0 DEAERO CCCOc1ccc(OCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000262170696 145267394 /nfs/dbraw/zinc/26/73/94/145267394.db2.gz YNWMOLMRVARBAK-INIZCTEOSA-N 1 0 320.433 2.440 10 0 DEAERO CC(C)NC(=O)Nc1ccccc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262167665 145267709 /nfs/dbraw/zinc/26/77/09/145267709.db2.gz JVHKJECOFFGDBA-NSHDSACASA-N 1 0 304.394 2.011 10 0 DEAERO O=C(NC[C@@H](O)c1cccc(Cl)c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262217274 145270417 /nfs/dbraw/zinc/27/04/17/145270417.db2.gz OUZZUGGAVSWOJI-YSVLISHTSA-N 1 0 322.836 2.269 10 0 DEAERO CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000262296445 145274571 /nfs/dbraw/zinc/27/45/71/145274571.db2.gz JFALCHYEDRXWJX-OLZOCXBDSA-N 1 0 306.410 2.026 10 0 DEAERO CN(C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)C1CCC(C)(C)CC1 ZINC000262348347 145277997 /nfs/dbraw/zinc/27/79/97/145277997.db2.gz UHMFDVAQHCYUBQ-CVEARBPZSA-N 1 0 318.465 2.150 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc(F)c(F)c1 ZINC000262402157 145281374 /nfs/dbraw/zinc/28/13/74/145281374.db2.gz CKSCIXWNPRZYDK-WNMQOVRZSA-N 1 0 310.344 2.436 10 0 DEAERO CCCCNC(=O)C1(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCCCC1 ZINC000262393046 145281508 /nfs/dbraw/zinc/28/15/08/145281508.db2.gz PWJRXLUBGDXOCP-GJZGRUSLSA-N 1 0 323.481 2.110 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1)C1C[NH2+]C1 ZINC000262417743 145282542 /nfs/dbraw/zinc/28/25/42/145282542.db2.gz RJHOFAFVDLKCKE-GFCCVEGCSA-N 1 0 324.384 2.128 10 0 DEAERO C[C@@H](NC(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000262457074 145285145 /nfs/dbraw/zinc/28/51/45/145285145.db2.gz IGFWJKTXIBPUOB-XJKCOSOUSA-N 1 0 307.413 2.062 10 0 DEAERO C[C@H](NC(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000262457062 145285292 /nfs/dbraw/zinc/28/52/92/145285292.db2.gz IGFWJKTXIBPUOB-DVOMOZLQSA-N 1 0 307.413 2.062 10 0 DEAERO CCc1noc(CC)c1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262469634 145285865 /nfs/dbraw/zinc/28/58/65/145285865.db2.gz NHLVYZOOKZDOKP-DFBGVHRSSA-N 1 0 305.422 2.336 10 0 DEAERO CNC(=O)c1cccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)c1C ZINC000262484273 145286916 /nfs/dbraw/zinc/28/69/16/145286916.db2.gz KETJAKPYGOCSRI-CQSZACIVSA-N 1 0 303.406 2.071 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1ccccc1Cl ZINC000262495940 145288232 /nfs/dbraw/zinc/28/82/32/145288232.db2.gz LJAUXGYBGFPTKF-SUYBPPKGSA-N 1 0 322.836 2.489 10 0 DEAERO COc1ccc(OC)c(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000262537340 145291474 /nfs/dbraw/zinc/29/14/74/145291474.db2.gz QMQKAMYEFLWBEK-OAHLLOKOSA-N 1 0 306.406 2.098 10 0 DEAERO Cc1nccn1CCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262680890 145299918 /nfs/dbraw/zinc/29/99/18/145299918.db2.gz XIAPVLXLMBOKSI-OAGGEKHMSA-N 1 0 304.438 2.009 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000262759938 145303564 /nfs/dbraw/zinc/30/35/64/145303564.db2.gz JECOMFVROFADIM-CJNGLKHVSA-N 1 0 310.463 2.161 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1CC ZINC000262809423 145306556 /nfs/dbraw/zinc/30/65/56/145306556.db2.gz XRSJUKCGJJWBAG-WBMJQRKESA-N 1 0 310.463 2.088 10 0 DEAERO C[C@@H](c1nc([C@H]2C[NH2+]CCN2C)no1)c1ccc(F)c(F)c1 ZINC000263175529 145332825 /nfs/dbraw/zinc/33/28/25/145332825.db2.gz GEPCLHSQGWQSFD-NOZJJQNGSA-N 1 0 308.332 2.076 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2C[C@H]2c2ccc(F)cc2)n1 ZINC000263184914 145333597 /nfs/dbraw/zinc/33/35/97/145333597.db2.gz HEDPYXKPUWHOHF-BFHYXJOUSA-N 1 0 302.353 2.056 10 0 DEAERO CC(C)c1ccc(OCc2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263203916 145336229 /nfs/dbraw/zinc/33/62/29/145336229.db2.gz JKAWPPJLNOALAE-OAHLLOKOSA-N 1 0 316.405 2.348 10 0 DEAERO Cc1cc([C@@H]2CCCN(C(=O)[C@H]3CCCC[C@@]3(C)[NH3+])C2)[nH]n1 ZINC000263215714 145337333 /nfs/dbraw/zinc/33/73/33/145337333.db2.gz KWDNLJHNNMBXGM-CKEIUWERSA-N 1 0 304.438 2.332 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000263223073 145338066 /nfs/dbraw/zinc/33/80/66/145338066.db2.gz MGHFAIICEMJNQK-MISXGVKJSA-N 1 0 320.343 2.195 10 0 DEAERO CCOC(=O)CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309681450 145349234 /nfs/dbraw/zinc/34/92/34/145349234.db2.gz AQNPNYSWYUQCTF-GVDBMIGSSA-N 1 0 302.418 2.050 10 0 DEAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000332752087 145387679 /nfs/dbraw/zinc/38/76/79/145387679.db2.gz AONSVCPTMGOWSS-AUOOEQCUSA-N 1 0 323.481 2.220 10 0 DEAERO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCCCO1 ZINC000332825995 145388930 /nfs/dbraw/zinc/38/89/30/145388930.db2.gz KJUWWPUEGXJWAC-SDKNFDLMSA-N 1 0 309.454 2.259 10 0 DEAERO COC(C)(C)CC[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000346529174 146097616 /nfs/dbraw/zinc/09/76/16/146097616.db2.gz JSEWDGBUYDOUDW-LJQANCHMSA-N 1 0 320.477 2.370 10 0 DEAERO Cc1ccc(/C=C\CC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1 ZINC000356913098 147002198 /nfs/dbraw/zinc/00/21/98/147002198.db2.gz PBWGYVPLYLSZNJ-FEFZKZJHSA-N 1 0 316.445 2.312 10 0 DEAERO COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2C[C@@H]2C)c1 ZINC000358563798 147156772 /nfs/dbraw/zinc/15/67/72/147156772.db2.gz QXXKDQLLLYHXKK-HOCLYGCPSA-N 1 0 319.449 2.424 10 0 DEAERO COc1cc(OC2CC2)ccc1C(=O)NCCCC[NH+](C)C ZINC000358742273 147194439 /nfs/dbraw/zinc/19/44/39/147194439.db2.gz BCJJKWXRBDAAQC-UHFFFAOYSA-N 1 0 306.406 2.308 10 0 DEAERO COC(=O)[C@H](Nc1cccc(C[NH+]2CCC(O)CC2)c1)C1CC1 ZINC000358826783 147214250 /nfs/dbraw/zinc/21/42/50/147214250.db2.gz YCYWWFOFQFAJFP-QGZVFWFLSA-N 1 0 318.417 2.007 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)NC[C@@](C)(O)C2CCCCC2)CC[N@@H+]1C ZINC000358924185 147232342 /nfs/dbraw/zinc/23/23/42/147232342.db2.gz DCCSANPGIXERQH-FRFSOERESA-N 1 0 311.470 2.100 10 0 DEAERO COCCN(C(=O)NCC[N@H+]1CC=C(C)CC1)[C@H]1CC[C@H](C)C1 ZINC000359285296 147299689 /nfs/dbraw/zinc/29/96/89/147299689.db2.gz ZWBSACRUGZSZIZ-IRXDYDNUSA-N 1 0 323.481 2.485 10 0 DEAERO CC[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000359293952 147301178 /nfs/dbraw/zinc/30/11/78/147301178.db2.gz PHCLHYFKYBTQSV-QGZVFWFLSA-N 1 0 321.440 2.025 10 0 DEAERO CCc1nnc2ccc(N3CCC(C[NH+](CC)CC)CC3)nn21 ZINC000360964890 147419080 /nfs/dbraw/zinc/41/90/80/147419080.db2.gz YTLMQUYJASTUMI-UHFFFAOYSA-N 1 0 316.453 2.245 10 0 DEAERO COCC[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000374230947 148221022 /nfs/dbraw/zinc/22/10/22/148221022.db2.gz OLNKXLSUAVSEEG-AKHDSKFASA-N 1 0 318.461 2.169 10 0 DEAERO CC(C)n1nccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374684624 148277490 /nfs/dbraw/zinc/27/74/90/148277490.db2.gz AQJWBHURFSNTGP-HOCLYGCPSA-N 1 0 307.438 2.121 10 0 DEAERO COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCCC[C@@H]2c2ccnn2C)C1 ZINC000375608840 148390305 /nfs/dbraw/zinc/39/03/05/148390305.db2.gz UKYFZUSTCNWGAH-XJKSGUPXSA-N 1 0 319.405 2.183 10 0 DEAERO CC(=O)c1cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)n(C)c1 ZINC000378187387 148491836 /nfs/dbraw/zinc/49/18/36/148491836.db2.gz KBUSAVDXBQXBJO-UHFFFAOYSA-N 1 0 311.385 2.279 10 0 DEAERO CC(C)[C@@H](O)C(C)(C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000127131660 401721824 /nfs/dbraw/zinc/72/18/24/401721824.db2.gz FTMZPHYXKMZFFY-DLBZAZTESA-N 1 0 320.477 2.319 10 0 DEAERO Cc1cc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1C(N)=O ZINC000111759932 401723236 /nfs/dbraw/zinc/72/32/36/401723236.db2.gz MZEWJFYKXLZCBS-CYBMUJFWSA-N 1 0 318.421 2.090 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1C ZINC000111789307 401723494 /nfs/dbraw/zinc/72/34/94/401723494.db2.gz CLKCJFVWCABAAE-HOTGVXAUSA-N 1 0 319.449 2.466 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000111804096 401724383 /nfs/dbraw/zinc/72/43/83/401724383.db2.gz VGTQOOZKAFPRIM-KGLIPLIRSA-N 1 0 309.410 2.059 10 0 DEAERO COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000111890127 401727147 /nfs/dbraw/zinc/72/71/47/401727147.db2.gz IYRSBKYKVKPVHD-IRXDYDNUSA-N 1 0 319.449 2.010 10 0 DEAERO C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000074187697 401732510 /nfs/dbraw/zinc/73/25/10/401732510.db2.gz AAPDAVKHJDBDEU-QZTJIDSGSA-N 1 0 316.445 2.443 10 0 DEAERO CC(C)(C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000112256068 401734333 /nfs/dbraw/zinc/73/43/33/401734333.db2.gz IWOVCNBFMOAQPV-UHFFFAOYSA-N 1 0 317.433 2.497 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnn2c1CCCC2 ZINC000127452369 401735994 /nfs/dbraw/zinc/73/59/94/401735994.db2.gz HSRKCYJQRJKSDO-AWEZNQCLSA-N 1 0 304.438 2.214 10 0 DEAERO NC(=O)N1CCC([NH2+]CCCCOCc2ccccc2)CC1 ZINC000127449537 401736054 /nfs/dbraw/zinc/73/60/54/401736054.db2.gz WTWIJXFPEXEDDV-UHFFFAOYSA-N 1 0 305.422 2.116 10 0 DEAERO CSc1ccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000127544512 401739342 /nfs/dbraw/zinc/73/93/42/401739342.db2.gz KZQNUOVEDSBMDS-CQSZACIVSA-N 1 0 306.431 2.002 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1c1cccn1C ZINC000074491164 401739905 /nfs/dbraw/zinc/73/99/05/401739905.db2.gz VZCSCHQXFNTMBC-GOEBONIOSA-N 1 0 304.438 2.356 10 0 DEAERO C[NH+]1CCC(CNC(=O)c2coc(Br)c2)CC1 ZINC000127577127 401740550 /nfs/dbraw/zinc/74/05/50/401740550.db2.gz OZNHSWFISADPKG-UHFFFAOYSA-N 1 0 301.184 2.114 10 0 DEAERO CC(C)CN(CC[NH+](C)C)C(=O)NCc1nccn1CC(C)C ZINC000074534529 401741715 /nfs/dbraw/zinc/74/17/15/401741715.db2.gz UOXWWTJOPSSXNJ-UHFFFAOYSA-N 1 0 323.485 2.268 10 0 DEAERO CCS(=O)(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000127649196 401744055 /nfs/dbraw/zinc/74/40/55/401744055.db2.gz LHRKGIYGRFFGCP-NSHDSACASA-N 1 0 304.843 2.320 10 0 DEAERO CCCNC(=O)NC(=O)CN1CC=C(c2ccccc2F)CC1 ZINC000127664726 401744661 /nfs/dbraw/zinc/74/46/61/401744661.db2.gz RUNHCBFVNUZWDW-UHFFFAOYSA-N 1 0 319.380 2.151 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(N2CCCC2)nc1 ZINC000072089193 401702666 /nfs/dbraw/zinc/70/26/66/401702666.db2.gz GVMHVSMWCZWCJY-INIZCTEOSA-N 1 0 318.465 2.388 10 0 DEAERO C[C@H]1CN(C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000111236544 401702991 /nfs/dbraw/zinc/70/29/91/401702991.db2.gz JFCGUTYHIKGPBK-HNNXBMFYSA-N 1 0 316.445 2.307 10 0 DEAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)cc1F ZINC000126710910 401705485 /nfs/dbraw/zinc/70/54/85/401705485.db2.gz IMUIMUJMKWORCP-RYUDHWBXSA-N 1 0 309.385 2.407 10 0 DEAERO O=C(c1cnn2c1CCCC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000126980720 401715324 /nfs/dbraw/zinc/71/53/24/401715324.db2.gz BCEXFEUQUFBLKP-UHFFFAOYSA-N 1 0 316.449 2.167 10 0 DEAERO CCC[C@H](C)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114414632 401798582 /nfs/dbraw/zinc/79/85/82/401798582.db2.gz UFNVJLXLNZNBQP-HNNXBMFYSA-N 1 0 318.465 2.228 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccc(C)nc2)[C@H](C)C1 ZINC000129212600 401799913 /nfs/dbraw/zinc/79/99/13/401799913.db2.gz LOZNRMVNPVLTOP-PBHICJAKSA-N 1 0 318.465 2.304 10 0 DEAERO O=C(Cc1ccc(O)cc1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000013861055 401805011 /nfs/dbraw/zinc/80/50/11/401805011.db2.gz ZXDHAKBZZDCMGU-INIZCTEOSA-N 1 0 302.418 2.412 10 0 DEAERO C[C@H](CNC(=O)[C@H]1CC[C@@H](C)O1)[N@@H+]1CCc2ccccc2C1 ZINC000129652904 401807079 /nfs/dbraw/zinc/80/70/79/401807079.db2.gz PQKYYHDJYUBCTN-CKEIUWERSA-N 1 0 302.418 2.117 10 0 DEAERO CN(Cc1ccco1)C(=O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114723195 401807380 /nfs/dbraw/zinc/80/73/80/401807380.db2.gz CPFZMJPNCPSKCB-OAHLLOKOSA-N 1 0 302.378 2.188 10 0 DEAERO COC(=O)Nc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000127814963 401751080 /nfs/dbraw/zinc/75/10/80/401751080.db2.gz GSQRMDPLJHTKKF-QWHCGFSZSA-N 1 0 319.405 2.420 10 0 DEAERO CC1(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)COC1 ZINC000112621876 401751256 /nfs/dbraw/zinc/75/12/56/401751256.db2.gz VHYZZVJZGDOZIL-INIZCTEOSA-N 1 0 302.418 2.051 10 0 DEAERO Cc1cccc(C)c1OCCCN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000112697808 401754449 /nfs/dbraw/zinc/75/44/49/401754449.db2.gz VAPAZGQYKDLBOZ-QZTJIDSGSA-N 1 0 320.477 2.459 10 0 DEAERO C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCCO1 ZINC000127973762 401758075 /nfs/dbraw/zinc/75/80/75/401758075.db2.gz DGYCHKRNQFTPTC-XIRDDKMYSA-N 1 0 319.449 2.026 10 0 DEAERO COC(=O)Nc1ccccc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000112869233 401760198 /nfs/dbraw/zinc/76/01/98/401760198.db2.gz FGDDOPLBSFIEQO-ZDUSSCGKSA-N 1 0 319.405 2.469 10 0 DEAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000075673493 401766434 /nfs/dbraw/zinc/76/64/34/401766434.db2.gz SKUXPALTLOPYDR-KRWDZBQOSA-N 1 0 316.445 2.497 10 0 DEAERO CCc1cnc(CCNC(=O)NCC[N@@H+](C)[C@H](C)CC)s1 ZINC000075810291 401769188 /nfs/dbraw/zinc/76/91/88/401769188.db2.gz NIFOJFJRWLWKMO-GFCCVEGCSA-N 1 0 312.483 2.278 10 0 DEAERO C[C@@H]1CN(C(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)C[C@H](C)O1 ZINC000075831564 401769806 /nfs/dbraw/zinc/76/98/06/401769806.db2.gz NOJDMJIVNVAAQT-UXLLHSPISA-N 1 0 324.465 2.046 10 0 DEAERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)nn1C(C)(C)C ZINC000113230129 401771689 /nfs/dbraw/zinc/77/16/89/401771689.db2.gz ZSYONWJUBJOWPS-KBPBESRZSA-N 1 0 304.438 2.255 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cccc(Cl)c1 ZINC000113268930 401773623 /nfs/dbraw/zinc/77/36/23/401773623.db2.gz UNCGKFASGMUIBF-IUODEOHRSA-N 1 0 307.825 2.447 10 0 DEAERO CCOc1ccc(NS(=O)(=O)c2ccc(CC[NH3+])cc2)cc1 ZINC000011849309 401777217 /nfs/dbraw/zinc/77/72/17/401777217.db2.gz CIERVQZWKSNVES-UHFFFAOYSA-N 1 0 320.414 2.387 10 0 DEAERO CCN(C)C(=O)CCN1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128465186 401777863 /nfs/dbraw/zinc/77/78/63/401777863.db2.gz NHWQQCMSKLUYDQ-MRXNPFEDSA-N 1 0 308.397 2.376 10 0 DEAERO CC[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000128470159 401778538 /nfs/dbraw/zinc/77/85/38/401778538.db2.gz CIZIYADPYYWEEE-IAGOWNOFSA-N 1 0 323.481 2.461 10 0 DEAERO COc1ccccc1CCNC(=O)C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000076149377 401785157 /nfs/dbraw/zinc/78/51/57/401785157.db2.gz NLPSCRKAWCDBGZ-CABCVRRESA-N 1 0 304.434 2.474 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000128805006 401792398 /nfs/dbraw/zinc/79/23/98/401792398.db2.gz GJXKZSJQDJZJKR-DLBZAZTESA-N 1 0 323.481 2.365 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)NCC[C@@H](C)O)c1ccsc1 ZINC000114822361 401811219 /nfs/dbraw/zinc/81/12/19/401811219.db2.gz MTKRABVNRVSQAA-OCCSQVGLSA-N 1 0 313.467 2.201 10 0 DEAERO Cc1ccc(NC(=O)N[C@@H](C)[C@H](C)CO)c(OCC[NH+](C)C)c1 ZINC000077722778 401827362 /nfs/dbraw/zinc/82/73/62/401827362.db2.gz NIHPOIDGJCHVIB-KGLIPLIRSA-N 1 0 323.437 2.074 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)CO)c1ccccc1 ZINC000077754135 401828941 /nfs/dbraw/zinc/82/89/41/401828941.db2.gz FZJMACVFSMZZAC-YQQAZPJKSA-N 1 0 321.465 2.386 10 0 DEAERO c1cc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)ccn1 ZINC000130397500 401830185 /nfs/dbraw/zinc/83/01/85/401830185.db2.gz KDXYMAZDNUKGLK-UHFFFAOYSA-N 1 0 313.405 2.050 10 0 DEAERO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000077839667 401834833 /nfs/dbraw/zinc/83/48/33/401834833.db2.gz MQBKEYKDIBUSNP-CJNGLKHVSA-N 1 0 305.422 2.115 10 0 DEAERO COCC[C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115816174 401837796 /nfs/dbraw/zinc/83/77/96/401837796.db2.gz PILZDCDQJXHGES-LBPRGKRZSA-N 1 0 311.401 2.112 10 0 DEAERO CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H]2c2ccco2)C1=O ZINC000116290478 401848698 /nfs/dbraw/zinc/84/86/98/401848698.db2.gz JVUJUYQKYHWKPV-GFCCVEGCSA-N 1 0 305.378 2.137 10 0 DEAERO COc1ccc(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000078377781 401848888 /nfs/dbraw/zinc/84/88/88/401848888.db2.gz GSDPPHOSAQEWOC-HNNXBMFYSA-N 1 0 307.438 2.471 10 0 DEAERO CCN(C(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000116314686 401849371 /nfs/dbraw/zinc/84/93/71/401849371.db2.gz IFLWTUIRRKRNIS-OAHLLOKOSA-N 1 0 312.417 2.263 10 0 DEAERO COc1cccc(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000116540531 401854478 /nfs/dbraw/zinc/85/44/78/401854478.db2.gz YBMWDFDBMHRCLW-AWEZNQCLSA-N 1 0 322.453 2.256 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3ccccc3s2)CCO1 ZINC000116784442 401858762 /nfs/dbraw/zinc/85/87/62/401858762.db2.gz QPQQRARXSWAKJT-CYBMUJFWSA-N 1 0 304.415 2.304 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000116786207 401859158 /nfs/dbraw/zinc/85/91/58/401859158.db2.gz ZVJQSGRPPXHTTH-CYBMUJFWSA-N 1 0 316.323 2.108 10 0 DEAERO Cc1ccc(C)c(SCC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000116798205 401859784 /nfs/dbraw/zinc/85/97/84/401859784.db2.gz RFIVXVGUFCVXFV-OAHLLOKOSA-N 1 0 322.474 2.185 10 0 DEAERO COc1ccccc1NC(=O)C1CC[NH+](CCC(C)=O)CC1 ZINC000029903666 401860117 /nfs/dbraw/zinc/86/01/17/401860117.db2.gz SSGJUGPQQXTNHH-UHFFFAOYSA-N 1 0 304.390 2.325 10 0 DEAERO C[C@@H](C[NH+]1CCN(c2ccc3nncn3n2)CC1)c1ccccc1 ZINC000116878788 401862842 /nfs/dbraw/zinc/86/28/42/401862842.db2.gz FIBSUAOQJIKNDY-HNNXBMFYSA-N 1 0 322.416 2.050 10 0 DEAERO CC(C)COc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000117009390 401867191 /nfs/dbraw/zinc/86/71/91/401867191.db2.gz XCTWNEWTJWJNSY-AWEZNQCLSA-N 1 0 306.410 2.284 10 0 DEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000132509013 401868455 /nfs/dbraw/zinc/86/84/55/401868455.db2.gz RMBDOUFDIKTUQH-ZIAGYGMSSA-N 1 0 306.454 2.456 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000132509615 401868548 /nfs/dbraw/zinc/86/85/48/401868548.db2.gz RMBDOUFDIKTUQH-KBPBESRZSA-N 1 0 306.454 2.456 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)CSCc2cscn2)CC[N@@H+]1C ZINC000132538789 401869321 /nfs/dbraw/zinc/86/93/21/401869321.db2.gz RSRNEVPRSPYIAK-YPMHNXCESA-N 1 0 313.492 2.317 10 0 DEAERO c1csc(-c2noc(-c3ccnc(N4CC[NH2+]CC4)c3)n2)c1 ZINC000040351954 401924943 /nfs/dbraw/zinc/92/49/43/401924943.db2.gz QNSLIGIHMGSGGM-UHFFFAOYSA-N 1 0 313.386 2.270 10 0 DEAERO CCC[C@H](CCO)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119118266 401927318 /nfs/dbraw/zinc/92/73/18/401927318.db2.gz WRYZKMFDFNKCRW-QQFBHYJXSA-N 1 0 313.486 2.205 10 0 DEAERO CC(C)COC1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000079591477 401877512 /nfs/dbraw/zinc/87/75/12/401877512.db2.gz STGMHYQOAODINV-UHFFFAOYSA-N 1 0 323.481 2.460 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1 ZINC000133363896 401883181 /nfs/dbraw/zinc/88/31/81/401883181.db2.gz HEQQENRRQWRSEU-QGZVFWFLSA-N 1 0 312.413 2.224 10 0 DEAERO Cc1nccn1CCCCNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000080563987 401890207 /nfs/dbraw/zinc/89/02/07/401890207.db2.gz QDYFAFVVWXSMSV-OAHLLOKOSA-N 1 0 321.469 2.145 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000081106631 401894534 /nfs/dbraw/zinc/89/45/34/401894534.db2.gz ZPGFYDHJZJKWSX-AWEZNQCLSA-N 1 0 318.421 2.133 10 0 DEAERO C[C@H]1CCC[C@H](C)C1NC(=O)NCCCC[NH+]1CCOCC1 ZINC000081477930 401895986 /nfs/dbraw/zinc/89/59/86/401895986.db2.gz HTNFVEVXEVOOPH-GJZGRUSLSA-N 1 0 311.470 2.223 10 0 DEAERO O=C(Cc1cnc2ccccc2c1)N1CC[NH+](CC2CC2)CC1 ZINC000118776657 401907528 /nfs/dbraw/zinc/90/75/28/401907528.db2.gz BKCSIMULMUOYQR-UHFFFAOYSA-N 1 0 309.413 2.332 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2F)CCO1 ZINC000118795356 401907777 /nfs/dbraw/zinc/90/77/77/401907777.db2.gz KYBQODXKJTVRRY-LLVKDONJSA-N 1 0 315.776 2.273 10 0 DEAERO CCOc1c(Br)cc(Cl)cc1NC(=O)C[NH3+] ZINC000037020120 401910190 /nfs/dbraw/zinc/91/01/90/401910190.db2.gz HYDJLAKURMKUOK-UHFFFAOYSA-N 1 0 307.575 2.398 10 0 DEAERO COCCC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CCC1 ZINC000119512525 401955547 /nfs/dbraw/zinc/95/55/47/401955547.db2.gz NSRQRERVOBKOHB-HUUCEWRRSA-N 1 0 309.454 2.071 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)C1CCCCC1 ZINC000136078694 401959139 /nfs/dbraw/zinc/95/91/39/401959139.db2.gz UWMNIFAQAYQSAE-DOTOQJQBSA-N 1 0 307.482 2.336 10 0 DEAERO CCO[C@H](CC[NH+](C)C)CNC(=O)c1scnc1C1CC1 ZINC000089850768 401967797 /nfs/dbraw/zinc/96/77/97/401967797.db2.gz OGRUJZWIXRGHFB-GFCCVEGCSA-N 1 0 311.451 2.107 10 0 DEAERO NC(=O)N1CCC([NH2+]Cc2ccccc2OC2CCC2)CC1 ZINC000090027815 401979260 /nfs/dbraw/zinc/97/92/60/401979260.db2.gz UYDZJPMOQDFHGS-UHFFFAOYSA-N 1 0 303.406 2.251 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccccc1)c1ccccc1 ZINC000047932798 401990765 /nfs/dbraw/zinc/99/07/65/401990765.db2.gz MCVCAZXRQWXQPM-INIZCTEOSA-N 1 0 311.385 2.044 10 0 DEAERO CC[C@@H](CSC)[N@H+](C)CC(=O)NCc1ccc(OC)cc1 ZINC000091097241 401992933 /nfs/dbraw/zinc/99/29/33/401992933.db2.gz KMCNWKASIXQWSA-AWEZNQCLSA-N 1 0 310.463 2.385 10 0 DEAERO C[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1ccccc1Br ZINC000150721725 401993914 /nfs/dbraw/zinc/99/39/14/401993914.db2.gz AHLLNNYFQWRKOW-NOZJJQNGSA-N 1 0 315.186 2.328 10 0 DEAERO c1ccc(OCCOCCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150771808 401995189 /nfs/dbraw/zinc/99/51/89/401995189.db2.gz HSXABZSPSAHGTD-SFHVURJKSA-N 1 0 318.461 2.500 10 0 DEAERO COC(=O)c1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(F)c1 ZINC000135535430 401943519 /nfs/dbraw/zinc/94/35/19/401943519.db2.gz LICAFZNXKFTSLJ-IUODEOHRSA-N 1 0 306.381 2.281 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)c2cccc(Cl)c2)CCO1 ZINC000135547816 401944289 /nfs/dbraw/zinc/94/42/89/401944289.db2.gz ZFSQZPSVUSULBB-OAHLLOKOSA-N 1 0 324.852 2.407 10 0 DEAERO C[N@@H+]1CCC[C@H]1CCN1CCCN(C(=O)c2cccs2)CC1 ZINC000089427944 401946418 /nfs/dbraw/zinc/94/64/18/401946418.db2.gz ICIBIHCWFWHVCL-HNNXBMFYSA-N 1 0 321.490 2.380 10 0 DEAERO C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151105604 402016176 /nfs/dbraw/zinc/01/61/76/402016176.db2.gz LKGNTYSBQUBZKA-JKSUJKDBSA-N 1 0 316.449 2.216 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)C(C)(C)C[NH+](C)C ZINC000121205476 402020629 /nfs/dbraw/zinc/02/06/29/402020629.db2.gz FFHNDXLQHZIJHX-LSDHHAIUSA-N 1 0 321.469 2.033 10 0 DEAERO C[N@H+](Cc1cccc(O)c1)C1CCN(CCn2cccn2)CC1 ZINC000121229512 402021795 /nfs/dbraw/zinc/02/17/95/402021795.db2.gz NWOMZBNXCWCNSK-UHFFFAOYSA-N 1 0 314.433 2.185 10 0 DEAERO CC1(C)CCCC[C@H]1[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000094325207 402022711 /nfs/dbraw/zinc/02/27/11/402022711.db2.gz AXIYEVFTKLLFEL-ZIAGYGMSSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000151237278 402025063 /nfs/dbraw/zinc/02/50/63/402025063.db2.gz KGSLAZZEEPBJGY-CQSZACIVSA-N 1 0 309.454 2.071 10 0 DEAERO O=[S@@](C[C@H]1CCCC[NH2+]1)c1cccc(Br)n1 ZINC000095092394 402025748 /nfs/dbraw/zinc/02/57/48/402025748.db2.gz MMLIHXRXBDAPCP-JDNHERCYSA-N 1 0 303.225 2.094 10 0 DEAERO O[C@H](CN[C@H]1CCCOc2ccccc21)C[NH+]1CCCCC1 ZINC000151309771 402029077 /nfs/dbraw/zinc/02/90/77/402029077.db2.gz FEVQCHXORMGSMN-WBVHZDCISA-N 1 0 304.434 2.337 10 0 DEAERO COc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)c(OC)c1 ZINC000151324525 402029798 /nfs/dbraw/zinc/02/97/98/402029798.db2.gz DAERQODRIWURSF-HUUCEWRRSA-N 1 0 322.449 2.201 10 0 DEAERO Cc1nccn1CCCN(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000122038478 402060195 /nfs/dbraw/zinc/06/01/95/402060195.db2.gz WGUZHYYFTFVEBA-INIZCTEOSA-N 1 0 323.485 2.199 10 0 DEAERO CCc1ccc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)o1 ZINC000121567126 402044587 /nfs/dbraw/zinc/04/45/87/402044587.db2.gz MIDWRZQDOKIZQH-UHFFFAOYSA-N 1 0 302.422 2.283 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000151627105 402047639 /nfs/dbraw/zinc/04/76/39/402047639.db2.gz FYQVXACUEGYNFC-ZIAGYGMSSA-N 1 0 318.417 2.367 10 0 DEAERO C[NH+]1CCC(CCNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000151686161 402050746 /nfs/dbraw/zinc/05/07/46/402050746.db2.gz KZABHZYPRPHLGE-WMZOPIPTSA-N 1 0 323.481 2.055 10 0 DEAERO O=C(CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccc(F)cc1 ZINC000122070313 402060933 /nfs/dbraw/zinc/06/09/33/402060933.db2.gz JQCWYZLNOGZTDO-CQSZACIVSA-N 1 0 316.380 2.402 10 0 DEAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000151810569 402058122 /nfs/dbraw/zinc/05/81/22/402058122.db2.gz BFKCROYOWKMYDY-OAGGEKHMSA-N 1 0 308.466 2.427 10 0 DEAERO CCOc1ccccc1CNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000054581937 402069940 /nfs/dbraw/zinc/06/99/40/402069940.db2.gz TYFAQKOGPJVWLA-OAHLLOKOSA-N 1 0 305.422 2.369 10 0 DEAERO CC[N@H+](CC(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C)C1CC1 ZINC000152057034 402073455 /nfs/dbraw/zinc/07/34/55/402073455.db2.gz ZXCACIHYRGRVOW-WMLDXEAASA-N 1 0 302.418 2.459 10 0 DEAERO Cc1nc(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)sc1C ZINC000122397364 402076897 /nfs/dbraw/zinc/07/68/97/402076897.db2.gz DXPVHAJVZOHBRW-GWCFXTLKSA-N 1 0 310.467 2.288 10 0 DEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000152127856 402077090 /nfs/dbraw/zinc/07/70/90/402077090.db2.gz SEQKASPNFKEMHG-KFWWJZLASA-N 1 0 311.470 2.314 10 0 DEAERO Cc1ccc(CN(C)c2cc(N3CCC[C@H](CO)C3)ncn2)o1 ZINC000152980737 402120557 /nfs/dbraw/zinc/12/05/57/402120557.db2.gz XNDGWAJOZRPYBA-AWEZNQCLSA-N 1 0 316.405 2.223 10 0 DEAERO O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000152985973 402120772 /nfs/dbraw/zinc/12/07/72/402120772.db2.gz OXRNNMILZNPIBI-UWWQBHOKSA-N 1 0 323.408 2.204 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC[N@@H+]1C ZINC000122774158 402094158 /nfs/dbraw/zinc/09/41/58/402094158.db2.gz KGIPZQHUSPTEAO-UNEWFSDZSA-N 1 0 315.417 2.121 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2cc(C)ccc2OC)C1 ZINC000057798080 402096779 /nfs/dbraw/zinc/09/67/79/402096779.db2.gz FBDNMCRJOBNJJW-MRXNPFEDSA-N 1 0 319.449 2.330 10 0 DEAERO Cc1ccccc1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000096666076 402099658 /nfs/dbraw/zinc/09/96/58/402099658.db2.gz LHXNGKOFEMHVQG-UHFFFAOYSA-N 1 0 324.428 2.072 10 0 DEAERO CC(C)COC[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccco1 ZINC000152570892 402101082 /nfs/dbraw/zinc/10/10/82/402101082.db2.gz UMAQGUWSBUJCHV-CQSZACIVSA-N 1 0 309.410 2.126 10 0 DEAERO COc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000122928426 402102073 /nfs/dbraw/zinc/10/20/73/402102073.db2.gz AOVNYYSVDKUDQA-JSGCOSHPSA-N 1 0 306.406 2.259 10 0 DEAERO C/C=C/c1ccc(OCC(=O)NC2CC[NH+](C)CC2)c(OC)c1 ZINC000122961552 402103309 /nfs/dbraw/zinc/10/33/09/402103309.db2.gz YLUQVULOPKVETN-SNAWJCMRSA-N 1 0 318.417 2.318 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)N2CCCc3ccccc32)CC[N@@H+]1C ZINC000123022686 402106405 /nfs/dbraw/zinc/10/64/05/402106405.db2.gz UQKAEYMQFBIYOZ-DOTOQJQBSA-N 1 0 315.461 2.380 10 0 DEAERO C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000152775613 402108273 /nfs/dbraw/zinc/10/82/73/402108273.db2.gz BOZHSDIPLNHNGB-FRFSOERESA-N 1 0 320.408 2.331 10 0 DEAERO CCC[C@H](C(=O)NCc1nc(-c2cccs2)no1)[NH+](C)C ZINC000123327334 402122098 /nfs/dbraw/zinc/12/20/98/402122098.db2.gz QLXJMSNSWAEHSX-SNVBAGLBSA-N 1 0 308.407 2.145 10 0 DEAERO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123330682 402122262 /nfs/dbraw/zinc/12/22/62/402122262.db2.gz LENQDXGXWFWPKO-KZNAEPCWSA-N 1 0 320.477 2.458 10 0 DEAERO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c1 ZINC000123253315 402118328 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CC1(C)COCC[N@@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000066423781 402133523 /nfs/dbraw/zinc/13/35/23/402133523.db2.gz HMWQZGOMBDXRNP-HNNXBMFYSA-N 1 0 313.825 2.328 10 0 DEAERO COCCCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000101566213 402149880 /nfs/dbraw/zinc/14/98/80/402149880.db2.gz QQAUQPPBLMXYQD-OAHLLOKOSA-N 1 0 322.449 2.285 10 0 DEAERO COC(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123922042 402154187 /nfs/dbraw/zinc/15/41/87/402154187.db2.gz IWAXWXATJQYUBL-IUODEOHRSA-N 1 0 304.390 2.028 10 0 DEAERO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)ccc1F ZINC000124465424 402181384 /nfs/dbraw/zinc/18/13/84/402181384.db2.gz GHPICUHQILWZMZ-INIZCTEOSA-N 1 0 320.408 2.205 10 0 DEAERO CCCC1(CNC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000154148991 402195324 /nfs/dbraw/zinc/19/53/24/402195324.db2.gz JFACDBMNZGHPRJ-OAHLLOKOSA-N 1 0 323.481 2.461 10 0 DEAERO Cc1nnc([C@@H](C)N2CCC(c3nnc4ccccn43)CC2)o1 ZINC000104058381 402197036 /nfs/dbraw/zinc/19/70/36/402197036.db2.gz 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O=C(C[C@@H]1CCC[NH2+]1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000153883607 402177624 /nfs/dbraw/zinc/17/76/24/402177624.db2.gz ADZMAQUZWRYIRQ-AWEZNQCLSA-N 1 0 306.381 2.338 10 0 DEAERO Cn1nccc1C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000125248029 402221579 /nfs/dbraw/zinc/22/15/79/402221579.db2.gz IQRKLPLQZDEGPW-GDBMZVCRSA-N 1 0 318.808 2.135 10 0 DEAERO CN(C)c1ncc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000154674229 402225347 /nfs/dbraw/zinc/22/53/47/402225347.db2.gz WSIPUUROVODFOZ-CYBMUJFWSA-N 1 0 322.457 2.031 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccn(C2CCCC2)n1 ZINC000154812805 402233783 /nfs/dbraw/zinc/23/37/83/402233783.db2.gz DLMKSXRJJNEXJU-DZGCQCFKSA-N 1 0 302.422 2.307 10 0 DEAERO CC[NH+](CC)CCNC(=O)N(CCc1nccs1)C(C)C ZINC000154808161 402233871 /nfs/dbraw/zinc/23/38/71/402233871.db2.gz YGFUIQSEPNGJJU-UHFFFAOYSA-N 1 0 312.483 2.447 10 0 DEAERO CCc1nnsc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107525684 402234601 /nfs/dbraw/zinc/23/46/01/402234601.db2.gz HCGQJSUKZRGNHZ-GFCCVEGCSA-N 1 0 308.451 2.191 10 0 DEAERO Cc1nn(C)c(C)c1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107526536 402234737 /nfs/dbraw/zinc/23/47/37/402234737.db2.gz CHYSUKHBTRMUNH-OAHLLOKOSA-N 1 0 304.438 2.127 10 0 DEAERO COC(=O)[C@@H]1CCN(CC(=O)Nc2cccc(Cl)c2C)C1 ZINC000107823736 402241076 /nfs/dbraw/zinc/24/10/76/402241076.db2.gz DWOXWBWTPZIXKB-LLVKDONJSA-N 1 0 310.781 2.082 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000069773786 402243545 /nfs/dbraw/zinc/24/35/45/402243545.db2.gz IDKJTERATUXEEY-OCCSQVGLSA-N 1 0 309.458 2.065 10 0 DEAERO CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000155109603 402245576 /nfs/dbraw/zinc/24/55/76/402245576.db2.gz JXUVGEZJNLTRCI-UHFFFAOYSA-N 1 0 305.422 2.207 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cscn2)C1 ZINC000125704092 402245716 /nfs/dbraw/zinc/24/57/16/402245716.db2.gz RTVLJCQAWJESAP-ZDUSSCGKSA-N 1 0 310.467 2.310 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000125834650 402252430 /nfs/dbraw/zinc/25/24/30/402252430.db2.gz UZXRJSDVEXOUNQ-OAHLLOKOSA-N 1 0 321.469 2.035 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000108462247 402254431 /nfs/dbraw/zinc/25/44/31/402254431.db2.gz GQXIPHDMXYFWAA-LBPRGKRZSA-N 1 0 316.380 2.287 10 0 DEAERO COCCOc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155372506 402254554 /nfs/dbraw/zinc/25/45/54/402254554.db2.gz DETZVSIYMGCELB-YOEHRIQHSA-N 1 0 320.433 2.170 10 0 DEAERO COc1ccccc1CCN(C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108590339 402258157 /nfs/dbraw/zinc/25/81/57/402258157.db2.gz TXUPLKIMRMPCIJ-OAHLLOKOSA-N 1 0 319.449 2.221 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1CCCC1 ZINC000070306966 402259480 /nfs/dbraw/zinc/25/94/80/402259480.db2.gz JHFOPYFNAOHWKT-MLGOLLRUSA-N 1 0 311.447 2.292 10 0 DEAERO [NH3+]C1CCN(c2cc(-c3nc(-c4ccncc4)no3)ccn2)CC1 ZINC000070458239 402260805 /nfs/dbraw/zinc/26/08/05/402260805.db2.gz RODKFTOFBLZDDW-UHFFFAOYSA-N 1 0 322.372 2.121 10 0 DEAERO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886516 402210700 /nfs/dbraw/zinc/21/07/00/402210700.db2.gz DBFYWJMVYQXYRQ-HOTGVXAUSA-N 1 0 318.465 2.385 10 0 DEAERO C[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(Cl)s1 ZINC000176608390 402323148 /nfs/dbraw/zinc/32/31/48/402323148.db2.gz SWBLKZJGPLRCAN-QWRGUYRKSA-N 1 0 316.854 2.294 10 0 DEAERO Cc1ccc(OCC[N@@H+](C)C[C@H](O)COCc2ccco2)cc1 ZINC000070869970 402265813 /nfs/dbraw/zinc/26/58/13/402265813.db2.gz FUPVCVYWWKGTED-INIZCTEOSA-N 1 0 319.401 2.476 10 0 DEAERO Ic1ccc(C[NH2+][C@@H]2CCCOC2)o1 ZINC000071012205 402268400 /nfs/dbraw/zinc/26/84/00/402268400.db2.gz MONCAWUTIHYQII-MRVPVSSYSA-N 1 0 307.131 2.153 10 0 DEAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)sc1C ZINC000071330424 402272483 /nfs/dbraw/zinc/27/24/83/402272483.db2.gz LHYGYTNEDNDSMZ-GFCCVEGCSA-N 1 0 302.465 2.128 10 0 DEAERO C[NH+]1CCC(Oc2ccc(NC(=O)C(F)(F)F)cn2)CC1 ZINC000071564932 402275806 /nfs/dbraw/zinc/27/58/06/402275806.db2.gz SXHQBOTYNQFYMM-UHFFFAOYSA-N 1 0 303.284 2.055 10 0 DEAERO Cc1cc2occ(C(=O)N3CCO[C@H](C[NH+](C)C)C3)c2cc1C ZINC000184556727 402275948 /nfs/dbraw/zinc/27/59/48/402275948.db2.gz FEVKVGYIGBFGBO-CQSZACIVSA-N 1 0 316.401 2.452 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnc(C3CC3)nc2)CC[N@@H+]1C ZINC000176113415 402279698 /nfs/dbraw/zinc/27/96/98/402279698.db2.gz LLPCZIPXTJAAFT-RISCZKNCSA-N 1 0 303.410 2.300 10 0 DEAERO CC(C)C[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000185101049 402324389 /nfs/dbraw/zinc/32/43/89/402324389.db2.gz ZLDAGQNGPKSINI-CQSZACIVSA-N 1 0 304.438 2.454 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCN(C)c1ccccc1 ZINC000176180215 402287248 /nfs/dbraw/zinc/28/72/48/402287248.db2.gz HSTPMUJFIXSPPB-KRWDZBQOSA-N 1 0 318.465 2.249 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(OC)c(O)c1 ZINC000176236880 402293234 /nfs/dbraw/zinc/29/32/34/402293234.db2.gz HNZWJWRVWGPGSO-CQSZACIVSA-N 1 0 321.421 2.027 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2cnc(C(F)(F)F)nc2)CC[N@@H+]1C ZINC000157554650 402295772 /nfs/dbraw/zinc/29/57/72/402295772.db2.gz NDTTZYQAIGFJDM-MWLCHTKSSA-N 1 0 316.327 2.050 10 0 DEAERO COCc1nc(C)c(CNc2cc(C3CC([NH3+])C3)ncn2)s1 ZINC000219657618 402299067 /nfs/dbraw/zinc/29/90/67/402299067.db2.gz GEGNIVXVHFDHPL-UHFFFAOYSA-N 1 0 319.434 2.205 10 0 DEAERO O=C(c1cc[nH]c1)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000176320402 402299514 /nfs/dbraw/zinc/29/95/14/402299514.db2.gz ZUAGGHNUGNHXEQ-KRWDZBQOSA-N 1 0 323.396 2.166 10 0 DEAERO CCc1c(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)[nH]c(C)c1C(C)=O ZINC000176332146 402300311 /nfs/dbraw/zinc/30/03/11/402300311.db2.gz BEBZNAOEOKKVRN-CQSZACIVSA-N 1 0 317.433 2.051 10 0 DEAERO [NH3+]CCc1cn(CCOc2c(Cl)cccc2Cl)nn1 ZINC000158245610 402303311 /nfs/dbraw/zinc/30/33/11/402303311.db2.gz ZTAYVUFIUGDTNW-UHFFFAOYSA-N 1 0 301.177 2.165 10 0 DEAERO CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H](C)C(C)C)CC1 ZINC000176392193 402305537 /nfs/dbraw/zinc/30/55/37/402305537.db2.gz PVWWJUQSYXVELG-OAHLLOKOSA-N 1 0 313.486 2.467 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)s1 ZINC000176438045 402309503 /nfs/dbraw/zinc/30/95/03/402309503.db2.gz VZHSWCKFWNFPOJ-GXSJLCMTSA-N 1 0 311.451 2.371 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCOCc1ccccc1 ZINC000176447898 402310143 /nfs/dbraw/zinc/31/01/43/402310143.db2.gz DQHLCXOCAZQBPA-NVXWUHKLSA-N 1 0 317.433 2.081 10 0 DEAERO Cc1nnc([C@@H]([NH2+][C@@H](C)CCn2cccn2)c2ccccc2)[nH]1 ZINC000158809354 402312663 /nfs/dbraw/zinc/31/26/63/402312663.db2.gz YDUVCUQLUWUEJV-BBRMVZONSA-N 1 0 310.405 2.467 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C[C@](C)(O)C(C)C)C2)nc1 ZINC000184966149 402312875 /nfs/dbraw/zinc/31/28/75/402312875.db2.gz HCPGIRWSAOVSAS-YJBOKZPZSA-N 1 0 319.449 2.448 10 0 DEAERO CCOC(C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1)OCC ZINC000184968158 402313504 /nfs/dbraw/zinc/31/35/04/402313504.db2.gz XSAIAJVSEBUHOY-HNNXBMFYSA-N 1 0 310.442 2.006 10 0 DEAERO OCC1([NH2+]Cc2ccc(Br)c(F)c2)CCOCC1 ZINC000226199840 402326087 /nfs/dbraw/zinc/32/60/87/402326087.db2.gz 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CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)C1 ZINC000177136625 402373667 /nfs/dbraw/zinc/37/36/67/402373667.db2.gz XXSYIQKVISYEIP-FHIRATQRSA-N 1 0 318.417 2.060 10 0 DEAERO CCC[C@H](C(=O)N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC000185760624 402374577 /nfs/dbraw/zinc/37/45/77/402374577.db2.gz MCQOUTDYFFJQAW-UONOGXRCSA-N 1 0 324.494 2.079 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCCC[C@H]1O ZINC000185771354 402375292 /nfs/dbraw/zinc/37/52/92/402375292.db2.gz JLZFNXYOQOGQOB-USXIJHARSA-N 1 0 319.449 2.110 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]2C(C)(C)O)CC1 ZINC000185834820 402381128 /nfs/dbraw/zinc/38/11/28/402381128.db2.gz LKAORHOTCKAYDN-HNNXBMFYSA-N 1 0 311.470 2.053 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000177209091 402381390 /nfs/dbraw/zinc/38/13/90/402381390.db2.gz GDUAUVJSTYDRGP-RISCZKNCSA-N 1 0 323.824 2.123 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2c(F)cccc2Br)C1 ZINC000226640055 402329727 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Cc1noc2nc(C)cc(C(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c12 ZINC000237222977 402399971 /nfs/dbraw/zinc/39/99/71/402399971.db2.gz FJOBXTJMIUXTHH-FUNVUKJBSA-N 1 0 314.389 2.195 10 0 DEAERO COc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1O ZINC000237278150 402401931 /nfs/dbraw/zinc/40/19/31/402401931.db2.gz UPQIJCXBOALMDR-KKUMJFAQSA-N 1 0 318.417 2.280 10 0 DEAERO CCOCC[N@@H+]1CCN(c2ccc(OC(F)F)cn2)C[C@@H]1C ZINC000161935740 402404623 /nfs/dbraw/zinc/40/46/23/402404623.db2.gz POEJFRLHIBOOPJ-LBPRGKRZSA-N 1 0 315.364 2.230 10 0 DEAERO CCc1nc(CCNC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)cs1 ZINC000177465551 402405477 /nfs/dbraw/zinc/40/54/77/402405477.db2.gz HZBULWSXBXZLRY-AWEZNQCLSA-N 1 0 324.494 2.374 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C12CCOCC2 ZINC000186200582 402409596 /nfs/dbraw/zinc/40/95/96/402409596.db2.gz CHVDTEJKKDQJRJ-DLBZAZTESA-N 1 0 319.401 2.479 10 0 DEAERO C[C@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000237506057 402410771 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C[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)c1ccc2ccccc2c1 ZINC000177628992 402421903 /nfs/dbraw/zinc/42/19/03/402421903.db2.gz WTWNRWYWQXMPGE-RDTXWAMCSA-N 1 0 312.413 2.390 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC)o2)C12CCOCC2 ZINC000186338636 402422504 /nfs/dbraw/zinc/42/25/04/402422504.db2.gz JBIFKBXUNCTYBP-CABCVRRESA-N 1 0 323.389 2.130 10 0 DEAERO O=C(N[C@H]1CCC[NH2+]C1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000237892055 402425227 /nfs/dbraw/zinc/42/52/27/402425227.db2.gz PTLUMLDJYLDKPW-ZDUSSCGKSA-N 1 0 304.781 2.008 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000177710076 402428773 /nfs/dbraw/zinc/42/87/73/402428773.db2.gz TVGPMQMJKHVRKZ-KRWDZBQOSA-N 1 0 317.433 2.244 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177713290 402429333 /nfs/dbraw/zinc/42/93/33/402429333.db2.gz NLBMRGDFIXLMAD-JKSUJKDBSA-N 1 0 318.465 2.482 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000177713998 402429488 /nfs/dbraw/zinc/42/94/88/402429488.db2.gz 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CCOCC[N@@H+]1CCN(Cc2cnn(C(C)(C)C)c2)C[C@H]1C ZINC000245687142 402479511 /nfs/dbraw/zinc/47/95/11/402479511.db2.gz AUMUSXRMMBVFEP-OAHLLOKOSA-N 1 0 308.470 2.181 10 0 DEAERO C[C@H](CNC(=O)NC[C@H]1CCC(C)(C)O1)C[NH+]1CCCCC1 ZINC000187061646 402480194 /nfs/dbraw/zinc/48/01/94/402480194.db2.gz VZUNXUZOTUDSKO-HUUCEWRRSA-N 1 0 311.470 2.365 10 0 DEAERO CCN(C)C(=O)CC[N@@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000245700115 402480860 /nfs/dbraw/zinc/48/08/60/402480860.db2.gz UOAGADOVGRBKLK-QGZVFWFLSA-N 1 0 317.477 2.451 10 0 DEAERO COc1ccc(-c2n[nH]cc2CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245717195 402482581 /nfs/dbraw/zinc/48/25/81/402482581.db2.gz HERBHXGEVDYFDK-INIZCTEOSA-N 1 0 312.417 2.365 10 0 DEAERO CC(C)Cc1nnc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000245731559 402483788 /nfs/dbraw/zinc/48/37/88/402483788.db2.gz FFKRTAHUSXWYKN-RYUDHWBXSA-N 1 0 323.466 2.437 10 0 DEAERO CNC(=O)c1cccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178336151 402486446 /nfs/dbraw/zinc/48/64/46/402486446.db2.gz 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O[C@@H](COC[C@H]1CCCO1)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000249429505 402629078 /nfs/dbraw/zinc/62/90/78/402629078.db2.gz JNKSPNSIJUXNAE-IAGOWNOFSA-N 1 0 317.429 2.090 10 0 DEAERO C[C@@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1cccc(O)c1 ZINC000171945734 402634971 /nfs/dbraw/zinc/63/49/71/402634971.db2.gz QUBRBEOHVSWOQL-CYBMUJFWSA-N 1 0 303.406 2.333 10 0 DEAERO CCOCC[N@@H+]1CCN(c2ccnc(C3CC3)n2)C[C@H]1CC ZINC000171986611 402636546 /nfs/dbraw/zinc/63/65/46/402636546.db2.gz LOBNWRZZLZOJCI-OAHLLOKOSA-N 1 0 304.438 2.291 10 0 DEAERO COC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)COc1ccccc1C(C)C ZINC000249711174 402639172 /nfs/dbraw/zinc/63/91/72/402639172.db2.gz DWKFBRUARHGLHU-LSDHHAIUSA-N 1 0 323.433 2.291 10 0 DEAERO CC(C)[C@@H](CNC(=O)N[C@H](C)C1CCCC1)[NH+]1CCN(C)CC1 ZINC000172221598 402645784 /nfs/dbraw/zinc/64/57/84/402645784.db2.gz VGOYJMNWPPWQBR-NVXWUHKLSA-N 1 0 324.513 2.136 10 0 DEAERO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1nnc(C2CCC2)n1C ZINC000181387762 402643370 /nfs/dbraw/zinc/64/33/70/402643370.db2.gz NLFQNEDDYAXXCY-HNNXBMFYSA-N 1 0 305.470 2.389 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Br)nc1 ZINC000252589795 402658823 /nfs/dbraw/zinc/65/88/23/402658823.db2.gz CELSSEOHXBFGIR-PWSUYJOCSA-N 1 0 324.222 2.153 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(C)(C)CC(=O)OC ZINC000181498201 402647249 /nfs/dbraw/zinc/64/72/49/402647249.db2.gz UPBRRPKSDKKHBQ-UONOGXRCSA-N 1 0 310.438 2.051 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C)cc2C)CC[C@H]1C ZINC000251545703 402648286 /nfs/dbraw/zinc/64/82/86/402648286.db2.gz DVPLOTXCHIHEEF-UWWQBHOKSA-N 1 0 307.434 2.400 10 0 DEAERO Cc1c([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cnn1C(C)C ZINC000191202222 402650516 /nfs/dbraw/zinc/65/05/16/402650516.db2.gz XSXYBMKIKFYRBA-GDBMZVCRSA-N 1 0 308.470 2.270 10 0 DEAERO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347018 402651461 /nfs/dbraw/zinc/65/14/61/402651461.db2.gz ZJLQNPLFFTYKST-CQSZACIVSA-N 1 0 319.424 2.001 10 0 DEAERO O[C@@H](C[NH+]1CCN(Cc2ccccn2)CC1)C1CCCCC1 ZINC000191281267 402657331 /nfs/dbraw/zinc/65/73/31/402657331.db2.gz QBDUVVUIQVTXDQ-SFHVURJKSA-N 1 0 303.450 2.140 10 0 DEAERO Clc1ccc([C@H](C[NH2+]Cc2cocn2)N2CCOCC2)cc1 ZINC000192299774 402721738 /nfs/dbraw/zinc/72/17/38/402721738.db2.gz ZLGBKBGQDGXMPP-INIZCTEOSA-N 1 0 321.808 2.491 10 0 DEAERO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC[N@@H+](C2CC2)CC1 ZINC000172541145 402661728 /nfs/dbraw/zinc/66/17/28/402661728.db2.gz VKYZZLTYJDFVOE-LBPRGKRZSA-N 1 0 323.387 2.462 10 0 DEAERO Cc1cnc([C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C2CC2)s1 ZINC000173914766 402718853 /nfs/dbraw/zinc/71/88/53/402718853.db2.gz ALZIXDDOGDHXJD-STQMWFEESA-N 1 0 308.451 2.248 10 0 DEAERO Cc1cnc([C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C2CC2)s1 ZINC000173914792 402718940 /nfs/dbraw/zinc/71/89/40/402718940.db2.gz ALZIXDDOGDHXJD-OLZOCXBDSA-N 1 0 308.451 2.248 10 0 DEAERO Cc1ccc(C[C@H](C)NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000172611159 402666273 /nfs/dbraw/zinc/66/62/73/402666273.db2.gz RLHXTRJEVSPBGO-GXTWGEPZSA-N 1 0 307.463 2.477 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)c1c(C)noc1C ZINC000253549806 402668685 /nfs/dbraw/zinc/66/86/85/402668685.db2.gz WKXYVCMOISCDLR-GLQYFDAESA-N 1 0 305.422 2.480 10 0 DEAERO CC1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)OCCCO1 ZINC000192248272 402719212 /nfs/dbraw/zinc/71/92/12/402719212.db2.gz BOFHXQYHMMXVPU-UHFFFAOYSA-N 1 0 313.781 2.354 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182185144 402670171 /nfs/dbraw/zinc/67/01/71/402670171.db2.gz WHCQZMLAAAMUMI-OAHLLOKOSA-N 1 0 307.442 2.378 10 0 DEAERO CCCN(CCC[NH+](C)C)C(=O)Nc1nc(COC)cs1 ZINC000191468683 402672575 /nfs/dbraw/zinc/67/25/75/402672575.db2.gz PXSSRTARZWQTCF-UHFFFAOYSA-N 1 0 314.455 2.485 10 0 DEAERO Clc1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)c(-n2cncn2)c1 ZINC000261922902 402719607 /nfs/dbraw/zinc/71/96/07/402719607.db2.gz KRNQOIHTRFIYFR-HNNXBMFYSA-N 1 0 317.824 2.247 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)cn1 ZINC000182304890 402679532 /nfs/dbraw/zinc/67/95/32/402679532.db2.gz USFSVSZEAHMYHM-OAHLLOKOSA-N 1 0 301.365 2.123 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000172913009 402679923 /nfs/dbraw/zinc/67/99/23/402679923.db2.gz VTVIDAIGXSUUTP-LBPRGKRZSA-N 1 0 316.430 2.277 10 0 DEAERO CCOc1cc(/C=C/C(=O)N[C@@H]2CCC[N@H+](CC)C2)ccc1O ZINC000182388907 402685535 /nfs/dbraw/zinc/68/55/35/402685535.db2.gz BFDOBEIPTUMTPA-TUPIDYKKSA-N 1 0 318.417 2.405 10 0 DEAERO CCC1CCC(NC(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000182417663 402688140 /nfs/dbraw/zinc/68/81/40/402688140.db2.gz DUPNXAIFFWRJBZ-UHFFFAOYSA-N 1 0 324.513 2.234 10 0 DEAERO Cc1cccc(OCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000173228188 402689065 /nfs/dbraw/zinc/68/90/65/402689065.db2.gz CJTHQKGAYHXQAZ-INIZCTEOSA-N 1 0 315.417 2.030 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)C[C@](C)(O)c2ccccc2)CC[N@@H+]1C ZINC000182498590 402695117 /nfs/dbraw/zinc/69/51/17/402695117.db2.gz FYOHIBWCZUKXDM-HFTRVMKXSA-N 1 0 304.434 2.225 10 0 DEAERO COC(=O)C1CCC(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000182581056 402701061 /nfs/dbraw/zinc/70/10/61/402701061.db2.gz BBPDEOZNEFPFHB-UHFFFAOYSA-N 1 0 324.465 2.391 10 0 DEAERO CCO[C@@H]1C[C@H]([N@H+](C)CCCN2CCOCC2)C12CCCC2 ZINC000173522804 402701272 /nfs/dbraw/zinc/70/12/72/402701272.db2.gz VRIYRFPNGUYJEV-DLBZAZTESA-N 1 0 310.482 2.378 10 0 DEAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000262410986 402725538 /nfs/dbraw/zinc/72/55/38/402725538.db2.gz DDJPUYDQRPELFK-HNNXBMFYSA-N 1 0 301.390 2.288 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000183094009 402738373 /nfs/dbraw/zinc/73/83/73/402738373.db2.gz GDOQQRRRTYCPKU-MKBNYLNASA-N 1 0 304.390 2.373 10 0 DEAERO CC(C)Cn1cc(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cn1 ZINC000183133958 402742022 /nfs/dbraw/zinc/74/20/22/402742022.db2.gz WBFVNOMKYBMYQP-INIZCTEOSA-N 1 0 320.481 2.224 10 0 DEAERO Cn1c2ccc(C[NH2+][C@H](CO)CC(C)(C)C)cc2sc1=O ZINC000192646451 402742376 /nfs/dbraw/zinc/74/23/76/402742376.db2.gz YWVSVBMROCEXEX-LBPRGKRZSA-N 1 0 308.447 2.487 10 0 DEAERO CC1CC[NH+](C[C@H]2CCCN(Cc3nc(N(C)C)no3)C2)CC1 ZINC000192704422 402745032 /nfs/dbraw/zinc/74/50/32/402745032.db2.gz NGACBROAAHDMQO-OAHLLOKOSA-N 1 0 321.469 2.080 10 0 DEAERO Cn1cc(N2CCC[C@@H]([NH2+]CC3=Cc4ccccc4OC3)C2)cn1 ZINC000174519478 402745273 /nfs/dbraw/zinc/74/52/73/402745273.db2.gz YRRRHGXJTOJNFV-QGZVFWFLSA-N 1 0 324.428 2.455 10 0 DEAERO C/C(=C/c1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccc(F)cc1 ZINC000263238936 402749160 /nfs/dbraw/zinc/74/91/60/402749160.db2.gz OJENKUTWTXOHOD-FPAJZGIOSA-N 1 0 302.353 2.345 10 0 DEAERO COCCC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000183236391 402749305 /nfs/dbraw/zinc/74/93/05/402749305.db2.gz LMNDBFZGLJTYCN-FUHWJXTLSA-N 1 0 318.417 2.126 10 0 DEAERO C[C@H](NC(=O)C1C[NH2+]C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000263244336 402749545 /nfs/dbraw/zinc/74/95/45/402749545.db2.gz CSOVHGZIMSOASL-ZDUSSCGKSA-N 1 0 323.396 2.336 10 0 DEAERO CS[C@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263275996 402753072 /nfs/dbraw/zinc/75/30/72/402753072.db2.gz SWFIFPHKCLURES-STQMWFEESA-N 1 0 304.419 2.098 10 0 DEAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000263314582 402757854 /nfs/dbraw/zinc/75/78/54/402757854.db2.gz ZGXDMETYWXQNEY-KSSFIOAISA-N 1 0 313.401 2.464 10 0 DEAERO CN1CCN([C@@H]2CCCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000174880037 402760864 /nfs/dbraw/zinc/76/08/64/402760864.db2.gz YJGNDYZONDNYPL-GOSISDBHSA-N 1 0 305.441 2.428 10 0 DEAERO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)C2CCCC2)CC1 ZINC000174920284 402763010 /nfs/dbraw/zinc/76/30/10/402763010.db2.gz UKZHCWZZGOTSNF-HZPDHXFCSA-N 1 0 324.513 2.138 10 0 DEAERO C[C@@H]([NH2+]CCO[C@H]1CCCCO1)c1ccc(-n2cncn2)cc1 ZINC000193083843 402764311 /nfs/dbraw/zinc/76/43/11/402764311.db2.gz WWEUASYUGWJOBP-PBHICJAKSA-N 1 0 316.405 2.461 10 0 DEAERO COC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174942402 402764846 /nfs/dbraw/zinc/76/48/46/402764846.db2.gz OSQBAAUSTYKPAE-WBVHZDCISA-N 1 0 304.434 2.249 10 0 DEAERO CNC(=O)CCC[N@H+](C)Cc1sc(C)nc1C(F)(F)F ZINC000183618229 402782259 /nfs/dbraw/zinc/78/22/59/402782259.db2.gz XCKPDUOLXKBGEI-UHFFFAOYSA-N 1 0 309.357 2.428 10 0 DEAERO COC(=O)c1coc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000183445037 402767947 /nfs/dbraw/zinc/76/79/47/402767947.db2.gz UHSSWWKWRCNKMR-LBPRGKRZSA-N 1 0 322.405 2.307 10 0 DEAERO C[C@H]([NH3+])CCC(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000193313991 402770128 /nfs/dbraw/zinc/77/01/28/402770128.db2.gz OKZYKEAHDXURLA-LBPRGKRZSA-N 1 0 313.405 2.347 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(C(=O)NCC3(C)CCC3)CC2)CCO1 ZINC000174996512 402770237 /nfs/dbraw/zinc/77/02/37/402770237.db2.gz SBZTTWKIRKSUQH-AWEZNQCLSA-N 1 0 309.454 2.071 10 0 DEAERO CC(C)OCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000183483414 402770931 /nfs/dbraw/zinc/77/09/31/402770931.db2.gz IBKSJNFLUNCOMY-UHFFFAOYSA-N 1 0 311.401 2.112 10 0 DEAERO C[NH+](C)CCCOC1CCN(C(=O)NCC2(C)CCC2)CC1 ZINC000175006001 402771050 /nfs/dbraw/zinc/77/10/50/402771050.db2.gz QIRYBQJKRRXAPO-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO Cc1cc(C)cc([C@@H]2CC[N@H+](CCCC(=O)NC(N)=O)C2)c1 ZINC000183491428 402771378 /nfs/dbraw/zinc/77/13/78/402771378.db2.gz SUSPNZXQRZCDDJ-CQSZACIVSA-N 1 0 303.406 2.068 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C(=O)N(C)C)c1 ZINC000175043919 402774314 /nfs/dbraw/zinc/77/43/14/402774314.db2.gz BMRHOEUSNZSONH-ZWKOTPCHSA-N 1 0 315.461 2.447 10 0 DEAERO CSCCC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000175078004 402776917 /nfs/dbraw/zinc/77/69/17/402776917.db2.gz JGJDIMMRDZEKSI-UHFFFAOYSA-N 1 0 304.410 2.149 10 0 DEAERO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC([NH+](C)C)CC1 ZINC000175086965 402777950 /nfs/dbraw/zinc/77/79/50/402777950.db2.gz HPLPQWUAAPONND-ZDUSSCGKSA-N 1 0 321.490 2.047 10 0 DEAERO CCO[C@H]1C[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1(C)C ZINC000183582810 402778340 /nfs/dbraw/zinc/77/83/40/402778340.db2.gz YFEJQFAXSFJLST-GJZGRUSLSA-N 1 0 305.422 2.423 10 0 DEAERO C[C@H](NC(=O)N(C)C[C@@H]1CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182880658 402724239 /nfs/dbraw/zinc/72/42/39/402724239.db2.gz MERPJDFTNKSQIW-ZOBUZTSGSA-N 1 0 323.481 2.460 10 0 DEAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCOCC1CCC1 ZINC000566536168 292249678 /nfs/dbraw/zinc/24/96/78/292249678.db2.gz NKGFJAHXKMLDAK-GJZGRUSLSA-N 1 0 311.470 2.223 10 0 DEAERO O=C(CCCOc1cccc(F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195336652 402841984 /nfs/dbraw/zinc/84/19/84/402841984.db2.gz ABTKKSZMISXPMR-HNNXBMFYSA-N 1 0 306.381 2.291 10 0 DEAERO C[C@H]1COCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000194353580 402793754 /nfs/dbraw/zinc/79/37/54/402793754.db2.gz MWBKSMVEJMAIKJ-GOEBONIOSA-N 1 0 322.424 2.389 10 0 DEAERO CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccncc1 ZINC000175311151 402796632 /nfs/dbraw/zinc/79/66/32/402796632.db2.gz HAAXUJRIGGDVKW-HZPDHXFCSA-N 1 0 300.406 2.188 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000175361769 402800071 /nfs/dbraw/zinc/80/00/71/402800071.db2.gz ADLPBXBKAPNQCU-KRWDZBQOSA-N 1 0 321.440 2.200 10 0 DEAERO CC1=NN(c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000195332212 402842490 /nfs/dbraw/zinc/84/24/90/402842490.db2.gz GWNUSRHWNBSKNK-QGZVFWFLSA-N 1 0 312.417 2.193 10 0 DEAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cnn1Cc1ccccc1 ZINC000195332513 402842588 /nfs/dbraw/zinc/84/25/88/402842588.db2.gz AUQYZOSJZQTCGS-QGZVFWFLSA-N 1 0 324.428 2.160 10 0 DEAERO COc1cccc2cc([C@H](C)[NH2+]C[C@H]3CN(C)CCO3)oc21 ZINC000175424518 402805844 /nfs/dbraw/zinc/80/58/44/402805844.db2.gz BXRBPTORODVYKP-JSGCOSHPSA-N 1 0 304.390 2.423 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(OC)c1O ZINC000175436404 402806675 /nfs/dbraw/zinc/80/66/75/402806675.db2.gz PZFHDFORRJFSSI-CHWSQXEVSA-N 1 0 304.390 2.100 10 0 DEAERO CCC1(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCC1 ZINC000175460337 402808307 /nfs/dbraw/zinc/80/83/07/402808307.db2.gz DTXSOTCTZQUWRE-UHFFFAOYSA-N 1 0 315.461 2.497 10 0 DEAERO CC(C)COC[C@H](O)CN(C)Cc1nc2c(s1)CCCC2 ZINC000175542928 402816225 /nfs/dbraw/zinc/81/62/25/402816225.db2.gz QUCWGXCSCOZTIS-CYBMUJFWSA-N 1 0 312.479 2.487 10 0 DEAERO C[NH+]1CCC(NC(=O)N(C[C@H]2CCCO2)C2CCCC2)CC1 ZINC000175556402 402817308 /nfs/dbraw/zinc/81/73/08/402817308.db2.gz NYAWKGYAJRWGPR-MRXNPFEDSA-N 1 0 309.454 2.214 10 0 DEAERO CC(C)Oc1cc(CNC(=O)c2c[nH+]ccc2N(C)C)ccn1 ZINC000184094448 402817365 /nfs/dbraw/zinc/81/73/65/402817365.db2.gz QUQHPBWUTAOLHY-UHFFFAOYSA-N 1 0 314.389 2.260 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000184111261 402818817 /nfs/dbraw/zinc/81/88/17/402818817.db2.gz YQMJSVGDDZUMSH-WQVCFCJDSA-N 1 0 315.417 2.225 10 0 DEAERO C[NH+](C)C1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000175746316 402828523 /nfs/dbraw/zinc/82/85/23/402828523.db2.gz JUBPCXIOXQKXDU-INIZCTEOSA-N 1 0 321.852 2.471 10 0 DEAERO O=C(CCOCc1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195048597 402828830 /nfs/dbraw/zinc/82/88/30/402828830.db2.gz FWCWITMBNYANPL-QGZVFWFLSA-N 1 0 302.418 2.290 10 0 DEAERO COc1ccc(CCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1F ZINC000195076427 402830401 /nfs/dbraw/zinc/83/04/01/402830401.db2.gz YZDLIBQQXPRSQI-HNNXBMFYSA-N 1 0 320.408 2.464 10 0 DEAERO CCCCN1CCOC[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000184251743 402830867 /nfs/dbraw/zinc/83/08/67/402830867.db2.gz PBGAHFBFPXEMCY-KRWDZBQOSA-N 1 0 319.449 2.188 10 0 DEAERO Cc1ccc(OCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1C ZINC000195095302 402831076 /nfs/dbraw/zinc/83/10/76/402831076.db2.gz XXUFLQLKCIZLKR-INIZCTEOSA-N 1 0 302.418 2.379 10 0 DEAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1COc2ccccc21 ZINC000175784828 402832385 /nfs/dbraw/zinc/83/23/85/402832385.db2.gz CMLJAKMWFVEBJW-NVXWUHKLSA-N 1 0 318.417 2.030 10 0 DEAERO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000195234787 402838453 /nfs/dbraw/zinc/83/84/53/402838453.db2.gz CQAINOUJVZXEQV-WBVHZDCISA-N 1 0 306.406 2.105 10 0 DEAERO O=C(c1ccc(-c2ccc(F)cc2)o1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195246058 402838881 /nfs/dbraw/zinc/83/88/81/402838881.db2.gz RMMAGDLDBKWFTH-BETUJISGSA-N 1 0 300.333 2.377 10 0 DEAERO Cc1ccc(C(=O)CCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195313677 402841337 /nfs/dbraw/zinc/84/13/37/402841337.db2.gz FIBHEWNQMYZGSO-INIZCTEOSA-N 1 0 300.402 2.265 10 0 DEAERO Cc1ccc(C(=O)CCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000195317797 402841807 /nfs/dbraw/zinc/84/18/07/402841807.db2.gz OUZGEABMHORCGX-CYBMUJFWSA-N 1 0 306.431 2.326 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000175202814 402787779 /nfs/dbraw/zinc/78/77/79/402787779.db2.gz YFIZHTVPGOXAKW-LSDHHAIUSA-N 1 0 306.454 2.338 10 0 DEAERO CCc1nnc(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C ZINC000195433048 402845695 /nfs/dbraw/zinc/84/56/95/402845695.db2.gz ZSIUENMIHIIRAV-INIZCTEOSA-N 1 0 319.497 2.321 10 0 DEAERO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507471 402848080 /nfs/dbraw/zinc/84/80/80/402848080.db2.gz KAZOQINARSTQPQ-AWEZNQCLSA-N 1 0 306.454 2.482 10 0 DEAERO Cc1csc(=O)n1CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515791 402848961 /nfs/dbraw/zinc/84/89/61/402848961.db2.gz JPLULOCTDSJHJT-CQSZACIVSA-N 1 0 318.446 2.047 10 0 DEAERO Cc1nc(C[C@@H]2CCC[N@H+](CCC(=O)NC3CCCC3)C2)no1 ZINC000195518320 402850431 /nfs/dbraw/zinc/85/04/31/402850431.db2.gz WXGQGSIFDCGGCH-AWEZNQCLSA-N 1 0 320.437 2.081 10 0 DEAERO O=S1(=O)CCC(C[N@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000271318747 402857342 /nfs/dbraw/zinc/85/73/42/402857342.db2.gz STZLKQZSTTWUFN-UHFFFAOYSA-N 1 0 323.458 2.429 10 0 DEAERO Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2n1 ZINC000265711614 402942273 /nfs/dbraw/zinc/94/22/73/402942273.db2.gz LTJWTLRBYAKTPW-GJZGRUSLSA-N 1 0 313.405 2.391 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)cc(C)n2)C12CCOCC2 ZINC000274400821 403051710 /nfs/dbraw/zinc/05/17/10/403051710.db2.gz FPSDKJARBAGNJF-IAGOWNOFSA-N 1 0 320.433 2.462 10 0 DEAERO COCCOc1ccccc1C[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000275662359 403113608 /nfs/dbraw/zinc/11/36/08/403113608.db2.gz VDOHMFBKUHXLTG-HNNXBMFYSA-N 1 0 315.417 2.261 10 0 DEAERO COc1ccc(CC[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000284620334 403270365 /nfs/dbraw/zinc/27/03/65/403270365.db2.gz AXSXFFMYLOIFTQ-KSZLIROESA-N 1 0 305.418 2.100 10 0 DEAERO Cc1cc(CO)oc1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000293646088 403528043 /nfs/dbraw/zinc/52/80/43/403528043.db2.gz HVVCWGWDQAIUHN-LBPRGKRZSA-N 1 0 306.406 2.027 10 0 DEAERO Cc1nnc2ccc(NC[C@]3([NH+](C)C)CCC[C@@H](C)C3)nn12 ZINC000301070599 403586453 /nfs/dbraw/zinc/58/64/53/403586453.db2.gz GMUAGRNLCQLKTL-WBMJQRKESA-N 1 0 302.426 2.355 10 0 DEAERO Cc1cc(NC[C@H]2CN3CCN2CC3)c2cc(F)ccc2[nH+]1 ZINC000301762527 403675387 /nfs/dbraw/zinc/67/53/87/403675387.db2.gz GOKZEUXMCRONKX-AWEZNQCLSA-N 1 0 300.381 2.094 10 0 DEAERO CC(=O)[C@@H](C)CCCCC(=O)Nc1ccnn1CC[NH+](C)C ZINC000294227416 403678009 /nfs/dbraw/zinc/67/80/09/403678009.db2.gz WPLZGFOFGWQGGO-ZDUSSCGKSA-N 1 0 308.426 2.169 10 0 DEAERO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000333017466 403648759 /nfs/dbraw/zinc/64/87/59/403648759.db2.gz HHMCKUOHLGGSNT-SJKOYZFVSA-N 1 0 312.373 2.010 10 0 DEAERO Cc1cc(Cl)cnc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000333280124 403714749 /nfs/dbraw/zinc/71/47/49/403714749.db2.gz HMCCRXWVIDVTES-GXSJLCMTSA-N 1 0 312.801 2.278 10 0 DEAERO C[N@H+](CCCO)C1CCN(c2ncc(C(F)(F)F)s2)CC1 ZINC000302777346 403724480 /nfs/dbraw/zinc/72/44/80/403724480.db2.gz PIVGAEVWVCJXLR-UHFFFAOYSA-N 1 0 323.384 2.445 10 0 DEAERO CC(C)c1cc(NCC2(C)COC2)nc(NCC2(C)COC2)[nH+]1 ZINC000302779130 403725523 /nfs/dbraw/zinc/72/55/23/403725523.db2.gz QQQVDCXTRZTJOV-UHFFFAOYSA-N 1 0 320.437 2.497 10 0 DEAERO CC[C@H]1CN(c2ncc(C(F)(F)F)s2)CC[N@@H+]1C[C@@H](C)O ZINC000302781896 403725576 /nfs/dbraw/zinc/72/55/76/403725576.db2.gz SHEMUHTXDPDNRW-ZJUUUORDSA-N 1 0 323.384 2.443 10 0 DEAERO NC(=O)C1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000302872352 403738075 /nfs/dbraw/zinc/73/80/75/403738075.db2.gz OXRVYFQWDAVNPM-UHFFFAOYSA-N 1 0 312.417 2.065 10 0 DEAERO Cc1csc([C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)C2CC2)n1 ZINC000333388189 403740452 /nfs/dbraw/zinc/74/04/52/403740452.db2.gz OKBYMTNXLPTVAQ-CHWSQXEVSA-N 1 0 308.451 2.344 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)c2ccccc21 ZINC000333454505 403754796 /nfs/dbraw/zinc/75/47/96/403754796.db2.gz YAWPGRLLVHBUCB-CJNGLKHVSA-N 1 0 315.417 2.009 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ncnc4sc5c(c43)CCC5)C[C@H]12 ZINC000333912621 403898853 /nfs/dbraw/zinc/89/88/53/403898853.db2.gz LVOKRHHJEOHJAX-ADEWGFFLSA-N 1 0 300.431 2.354 10 0 DEAERO O=C(NC[C@H]1CCOC2(CCC2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333846687 403882223 /nfs/dbraw/zinc/88/22/23/403882223.db2.gz WKRPKTBQTSNZCR-HNNXBMFYSA-N 1 0 321.465 2.121 10 0 DEAERO C[C@H]1COc2ccccc2CN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333860942 403888876 /nfs/dbraw/zinc/88/88/76/403888876.db2.gz SBHHHIBCAVYCHM-ZFWWWQNUSA-N 1 0 303.406 2.121 10 0 DEAERO C[C@@H]1CCOCCN1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000362003982 403915051 /nfs/dbraw/zinc/91/50/51/403915051.db2.gz NCRQESJDMMJZIC-CZUORRHYSA-N 1 0 323.412 2.249 10 0 DEAERO c1nc(C[NH2+]CCCc2ccccn2)sc1C1OCCO1 ZINC000289373611 403932509 /nfs/dbraw/zinc/93/25/09/403932509.db2.gz AQDCDQQVKFUZMV-UHFFFAOYSA-N 1 0 305.403 2.306 10 0 DEAERO CCOC[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000313284305 403980895 /nfs/dbraw/zinc/98/08/95/403980895.db2.gz DSCJQEASWFYWGQ-ROUUACIJSA-N 1 0 307.434 2.455 10 0 DEAERO Cc1ccnc([C@@H](NC(=O)CC2CC[NH+](C)CC2)C2CC2)n1 ZINC000362994818 404037583 /nfs/dbraw/zinc/03/75/83/404037583.db2.gz ZUOBNTWNVILJNI-INIZCTEOSA-N 1 0 302.422 2.084 10 0 DEAERO CCO[C@@H]1C[C@](O)(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1(C)C ZINC000194190424 286420290 /nfs/dbraw/zinc/42/02/90/286420290.db2.gz HGQYRSLPBSZGAM-DWJZYCCASA-N 1 0 309.450 2.100 10 0 DEAERO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000329016004 404200193 /nfs/dbraw/zinc/20/01/93/404200193.db2.gz KCCWMECKHVHEQH-OIPACUDHSA-N 1 0 318.465 2.496 10 0 DEAERO C(c1noc([C@@]23CCC[C@@H]2C[N@@H+]([C@@H]2CCOC2)C3)n1)C1CC1 ZINC000329152341 404246529 /nfs/dbraw/zinc/24/65/29/404246529.db2.gz AQFHTVMKLILCIG-CKEIUWERSA-N 1 0 303.406 2.165 10 0 DEAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCNS(C)(=O)=O ZINC000338142377 404348281 /nfs/dbraw/zinc/34/82/81/404348281.db2.gz JGMWHQXOVNRAMW-ZRDIBKRKSA-N 1 0 316.854 2.272 10 0 DEAERO Cn1nccc1[C@@H]1CCCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000370687669 404403023 /nfs/dbraw/zinc/40/30/23/404403023.db2.gz DHGFLUSRAWGAJA-KRWDZBQOSA-N 1 0 316.449 2.348 10 0 DEAERO Cn1nccc1CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000338568895 404408377 /nfs/dbraw/zinc/40/83/77/404408377.db2.gz AQTMXDRRLNEIFP-XJKSGUPXSA-N 1 0 307.344 2.049 10 0 DEAERO CO[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)C1 ZINC000373763843 404584475 /nfs/dbraw/zinc/58/44/75/404584475.db2.gz WXTPPIZCAFDWGC-JHJVBQTASA-N 1 0 305.422 2.322 10 0 DEAERO Cc1nn(C)c2cc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)ccc12 ZINC000291891424 404568936 /nfs/dbraw/zinc/56/89/36/404568936.db2.gz WJUIVGPUPDHOPO-AWEZNQCLSA-N 1 0 313.405 2.194 10 0 DEAERO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCCC23CCC3)C[C@H](C)O1 ZINC000365214921 404570713 /nfs/dbraw/zinc/57/07/13/404570713.db2.gz CIIQBFUQCQLCSX-GASCZTMLSA-N 1 0 309.454 2.214 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)C3CCCCC3)[C@H]2C1 ZINC000567542422 292320811 /nfs/dbraw/zinc/32/08/11/292320811.db2.gz HYDVEZDIVQMYPA-XSLAGTTESA-N 1 0 308.466 2.164 10 0 DEAERO OC[C@]1([NH2+]CCOc2ccc(F)cc2)CCOc2ccccc21 ZINC000374136136 404696184 /nfs/dbraw/zinc/69/61/84/404696184.db2.gz JQLHJPFLGTZBKE-GOSISDBHSA-N 1 0 317.360 2.464 10 0 DEAERO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000375788128 404746298 /nfs/dbraw/zinc/74/62/98/404746298.db2.gz HSFJOBRJXSMMKL-OAHLLOKOSA-N 1 0 309.373 2.197 10 0 DEAERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc2c(cn1)OCCC2 ZINC000357867253 404746620 /nfs/dbraw/zinc/74/66/20/404746620.db2.gz URANKIHDDCYNGC-UHFFFAOYSA-N 1 0 315.417 2.153 10 0 DEAERO Cc1csc([C@@H]2CCC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)n1 ZINC000366110475 404758594 /nfs/dbraw/zinc/75/85/94/404758594.db2.gz UYTYJYLBQVNPSL-CHWSQXEVSA-N 1 0 314.476 2.066 10 0 DEAERO COC(=O)[C@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000358851774 404777904 /nfs/dbraw/zinc/77/79/04/404777904.db2.gz MWXJABMLUAPWTL-IAGOWNOFSA-N 1 0 302.418 2.192 10 0 DEAERO O=C(COc1ccccc1)N1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000375964813 404780759 /nfs/dbraw/zinc/78/07/59/404780759.db2.gz VSUAJGXFOAFODA-HNNXBMFYSA-N 1 0 320.458 2.152 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@](C)(C[NH3+])C(C)C)c1 ZINC000415257929 404835442 /nfs/dbraw/zinc/83/54/42/404835442.db2.gz BPZJZRXWMJBVAU-MRXNPFEDSA-N 1 0 306.410 2.164 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](CCCCOC(C)(C)C)CC12COC2 ZINC000451128982 404874966 /nfs/dbraw/zinc/87/49/66/404874966.db2.gz CMYNMOICEBWSIT-CQSZACIVSA-N 1 0 313.438 2.093 10 0 DEAERO Cc1cc(C)n2c(C[NH2+][C@H]3CCCc4nn(C)cc43)cnc2n1 ZINC000366968426 404884979 /nfs/dbraw/zinc/88/49/79/404884979.db2.gz DUDJAAQLMFKXPD-HNNXBMFYSA-N 1 0 310.405 2.247 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC23CCC3)[C@@H](C)C1 ZINC000435572259 404990433 /nfs/dbraw/zinc/99/04/33/404990433.db2.gz DEHSPNKCKIAUCJ-HOTGVXAUSA-N 1 0 323.481 2.461 10 0 DEAERO C[NH+](C)CCOc1ccc(CNC(=O)N2CCC23CCC3)cc1 ZINC000435579613 404991570 /nfs/dbraw/zinc/99/15/70/404991570.db2.gz MAPXUFDZIRAMDW-UHFFFAOYSA-N 1 0 317.433 2.465 10 0 DEAERO CO[C@]1(C[NH2+]Cc2ccsc2Br)CCOC1 ZINC000388989550 405036114 /nfs/dbraw/zinc/03/61/14/405036114.db2.gz UFNSUULPUVJTMV-NSHDSACASA-N 1 0 306.225 2.406 10 0 DEAERO CCO[C@H](C)c1ncc(C(=O)NC[C@H]2CC[N@H+](CC)C2)s1 ZINC000361366084 405040386 /nfs/dbraw/zinc/04/03/86/405040386.db2.gz OJWSOQQZWAVKHX-VXGBXAGGSA-N 1 0 311.451 2.312 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1COCC1(C)C ZINC000451806739 405045915 /nfs/dbraw/zinc/04/59/15/405045915.db2.gz FQWJJKFFJVGIAX-NHYWBVRUSA-N 1 0 304.390 2.231 10 0 DEAERO Cc1cc(=O)[nH]c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000408017507 405090280 /nfs/dbraw/zinc/09/02/80/405090280.db2.gz MXLMXCNUUDNRCV-CQSZACIVSA-N 1 0 303.406 2.044 10 0 DEAERO CC(C)N1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1=O ZINC000361545973 405125334 /nfs/dbraw/zinc/12/53/34/405125334.db2.gz PVVIOROOPMLDFY-OFLPRAFFSA-N 1 0 302.418 2.333 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC(n3cncc3C)CC2)c(C)o1 ZINC000408193032 405135147 /nfs/dbraw/zinc/13/51/47/405135147.db2.gz QMWIBDXCHJCXLY-UHFFFAOYSA-N 1 0 323.418 2.427 10 0 DEAERO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000408410004 405199398 /nfs/dbraw/zinc/19/93/98/405199398.db2.gz HUHLBXHZSWZGGL-NWDGAFQWSA-N 1 0 318.417 2.270 10 0 DEAERO CC[NH+](CC)CC1CCN([C@H](C)c2nnnn2C2CC2)CC1 ZINC000361699742 405203733 /nfs/dbraw/zinc/20/37/33/405203733.db2.gz RMAJVRWYWDJCLB-CYBMUJFWSA-N 1 0 306.458 2.123 10 0 DEAERO COc1ccc(O)cc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000408439838 405206793 /nfs/dbraw/zinc/20/67/93/405206793.db2.gz VUVHPBBMEMTQIO-UHFFFAOYSA-N 1 0 304.390 2.101 10 0 DEAERO CC[C@@H](C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2)[NH+](C)C ZINC000408472463 405216037 /nfs/dbraw/zinc/21/60/37/405216037.db2.gz VJCXIVHJJCIYNO-UONOGXRCSA-N 1 0 319.453 2.008 10 0 DEAERO COC1([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)CCOCC1 ZINC000453207948 405289030 /nfs/dbraw/zinc/28/90/30/405289030.db2.gz IMWXGIODYIDVEQ-CYBMUJFWSA-N 1 0 303.406 2.279 10 0 DEAERO CCCc1ncc(CNCc2cc(C3CC[NH2+]CC3)no2)o1 ZINC000425896721 405328307 /nfs/dbraw/zinc/32/83/07/405328307.db2.gz QGNLVFPTQIKKML-UHFFFAOYSA-N 1 0 304.394 2.372 10 0 DEAERO Cc1ccc(CNC(=O)C[NH2+]C2(CCO)CCCCC2)cc1F ZINC000440907553 405330526 /nfs/dbraw/zinc/33/05/26/405330526.db2.gz XPQUPZHUFARYMT-UHFFFAOYSA-N 1 0 322.424 2.425 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1C ZINC000420401679 405344790 /nfs/dbraw/zinc/34/47/90/405344790.db2.gz PPIIYZPXJRQFNA-YUELXQCFSA-N 1 0 317.433 2.232 10 0 DEAERO CN(CC(C)(C)C[NH3+])c1ccc(I)cn1 ZINC000420197727 405294090 /nfs/dbraw/zinc/29/40/90/405294090.db2.gz BTLKXHWSMSXMEY-UHFFFAOYSA-N 1 0 319.190 2.107 10 0 DEAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CC[C@]12CCOC2 ZINC000421396512 405489688 /nfs/dbraw/zinc/48/96/88/405489688.db2.gz KDWVHTLIBURDLP-QGZVFWFLSA-N 1 0 313.357 2.170 10 0 DEAERO Cc1nc(C[NH2+][C@H]2CN(C)C[C@H]2C)sc1Br ZINC000449404363 405548723 /nfs/dbraw/zinc/54/87/23/405548723.db2.gz ZHSOQNLHTXUTJU-APPZFPTMSA-N 1 0 304.257 2.254 10 0 DEAERO c1cc(CC[N@@H+]2CCO[C@@]3(CCSC3)C2)cc2c1OCC2 ZINC000580427628 405613274 /nfs/dbraw/zinc/61/32/74/405613274.db2.gz GXXRLKLLGMKQAV-KRWDZBQOSA-N 1 0 305.443 2.372 10 0 DEAERO c1ccc(C[C@H](CN2CCOCC2)[NH2+]CCC[C@H]2CCO2)cc1 ZINC000638638619 405587546 /nfs/dbraw/zinc/58/75/46/405587546.db2.gz IORAZAOMIKSWHB-MOPGFXCFSA-N 1 0 318.461 2.089 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2Br)C[NH2+]1 ZINC000638654385 405598515 /nfs/dbraw/zinc/59/85/15/405598515.db2.gz FDORPYCXMMFLHA-WPRPVWTQSA-N 1 0 315.186 2.459 10 0 DEAERO CC(=O)CN(C(=O)C[C@@H](n1ccnc1)C(F)(F)F)C(C)C ZINC000635993982 405665210 /nfs/dbraw/zinc/66/52/10/405665210.db2.gz XWKRCWYOKOKMSZ-LLVKDONJSA-N 1 0 305.300 2.203 10 0 DEAERO C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCCC(F)(F)C2)CCSC1 ZINC000494422286 405694737 /nfs/dbraw/zinc/69/47/37/405694737.db2.gz BQTVPKOIVMMWOB-AAEUAGOBSA-N 1 0 321.437 2.301 10 0 DEAERO C(c1nc(C2CCOCC2)no1)C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000528713544 405719491 /nfs/dbraw/zinc/71/94/91/405719491.db2.gz CAGHXJFFBGWASS-HNNXBMFYSA-N 1 0 321.421 2.007 10 0 DEAERO CC(=O)c1ccc(OCCCC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000638885264 405741038 /nfs/dbraw/zinc/74/10/38/405741038.db2.gz MKAAUWLTQLSGAG-CZUORRHYSA-N 1 0 318.417 2.101 10 0 DEAERO O=C1C[C@@H]([NH2+][C@H]2CCCOCC2)[C@H](c2cccnc2)N1C1CC1 ZINC000583619478 405776554 /nfs/dbraw/zinc/77/65/54/405776554.db2.gz JSMPKRQOUGQIDN-LESCRADOSA-N 1 0 315.417 2.045 10 0 DEAERO COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2CCn2ccnc2)cc1 ZINC000583619773 405777022 /nfs/dbraw/zinc/77/70/22/405777022.db2.gz FYJNYSVVNRAWRH-MSOLQXFVSA-N 1 0 315.417 2.264 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)Cc1ccc(C)c(C)c1 ZINC000457320458 405798780 /nfs/dbraw/zinc/79/87/80/405798780.db2.gz MPUJBFODWACWRX-ZWKOTPCHSA-N 1 0 318.461 2.197 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 ZINC000457526180 405883611 /nfs/dbraw/zinc/88/36/11/405883611.db2.gz SEFFQTVPRFUHMG-ARFHVFGLSA-N 1 0 306.450 2.182 10 0 DEAERO CC[C@]1(O)CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000495226779 405846168 /nfs/dbraw/zinc/84/61/68/405846168.db2.gz DOFVHWYUKNJOST-HIFRSBDPSA-N 1 0 317.351 2.456 10 0 DEAERO c1ccc(N2CC[C@H](C[N@@H+]3CCO[C@]4(CCOC4)C3)C2)cc1 ZINC000639052054 405847232 /nfs/dbraw/zinc/84/72/32/405847232.db2.gz HTWMELBXTQPPOY-SJLPKXTDSA-N 1 0 302.418 2.004 10 0 DEAERO Cc1cc(CCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)on1 ZINC000561581322 405939278 /nfs/dbraw/zinc/93/92/78/405939278.db2.gz OBNACMCROQCEBK-SUMWQHHRSA-N 1 0 322.453 2.335 10 0 DEAERO C[N@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)C1CCOCC1 ZINC000531343755 405944425 /nfs/dbraw/zinc/94/44/25/405944425.db2.gz DMENRXZUTRYJIS-UHFFFAOYSA-N 1 0 306.450 2.038 10 0 DEAERO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(C)cc(C(=O)OC)c2)C[C@H]1C ZINC000457677458 405947543 /nfs/dbraw/zinc/94/75/43/405947543.db2.gz CUYNNAKHMBCDOJ-KGLIPLIRSA-N 1 0 318.417 2.336 10 0 DEAERO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(C)cc(C(=O)OC)c2)C[C@@H]1C ZINC000457677457 405947895 /nfs/dbraw/zinc/94/78/95/405947895.db2.gz CUYNNAKHMBCDOJ-KBPBESRZSA-N 1 0 318.417 2.336 10 0 DEAERO c1cc(C[NH2+]CCC[C@@H]2CCO2)c(OC[C@@H]2CCOC2)cn1 ZINC000639184140 405953284 /nfs/dbraw/zinc/95/32/84/405953284.db2.gz ISGLWNYOMRRBDT-GDBMZVCRSA-N 1 0 306.406 2.156 10 0 DEAERO COCC[N@H+](CCc1ccccn1)Cc1c(C)nn(C)c1C ZINC000459558475 405956983 /nfs/dbraw/zinc/95/69/83/405956983.db2.gz AFNAXAXOQDOYQP-UHFFFAOYSA-N 1 0 302.422 2.123 10 0 DEAERO c1ccc(N2CC[C@@H](C[N@@H+]3CCOC[C@@]34CCOC4)C2)cc1 ZINC000639136167 405915600 /nfs/dbraw/zinc/91/56/00/405915600.db2.gz JYKAEDVECPBVHO-AEFFLSMTSA-N 1 0 302.418 2.004 10 0 DEAERO CCN1CC[C@H]([NH2+]Cc2snc(OC)c2Br)C1 ZINC000639268035 406010913 /nfs/dbraw/zinc/01/09/13/406010913.db2.gz VFDUFKQPXVKBDR-QMMMGPOBSA-N 1 0 320.256 2.098 10 0 DEAERO Cc1ccccc1-c1cccc(C[NH2+]C[C@@H](O)Cn2ccnn2)c1 ZINC000459703491 406011526 /nfs/dbraw/zinc/01/15/26/406011526.db2.gz SMUINDHVMIOLAD-GOSISDBHSA-N 1 0 322.412 2.404 10 0 DEAERO Cc1ccccc1-c1cccc(C[NH2+]C[C@H](O)Cn2ccnn2)c1 ZINC000459703492 406011814 /nfs/dbraw/zinc/01/18/14/406011814.db2.gz SMUINDHVMIOLAD-SFHVURJKSA-N 1 0 322.412 2.404 10 0 DEAERO C([NH2+][C@H]1CC[C@@H]1C1CCC1)C1(N2CCOCC2)CCOCC1 ZINC000459710488 406014374 /nfs/dbraw/zinc/01/43/74/406014374.db2.gz LVYHIOXLIPNEGC-SJORKVTESA-N 1 0 308.466 2.036 10 0 DEAERO C[NH+]1CCC(C(=O)N2CCC[C@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC000531871255 406016953 /nfs/dbraw/zinc/01/69/53/406016953.db2.gz RCMJVQMIRODFAG-CQSZACIVSA-N 1 0 324.465 2.299 10 0 DEAERO O=C(N[C@H]1CCCC(F)(F)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000531772284 406004862 /nfs/dbraw/zinc/00/48/62/406004862.db2.gz CGFUPXPRTXAFCK-QWHCGFSZSA-N 1 0 301.381 2.444 10 0 DEAERO c1coc(C[N@H+](C[C@H]2CCCO2)C[C@H]2CCc3ncnn32)c1 ZINC000639459999 406098595 /nfs/dbraw/zinc/09/85/95/406098595.db2.gz TXRBZQWTLVBSLC-UKRRQHHQSA-N 1 0 302.378 2.040 10 0 DEAERO COc1cc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)on1 ZINC000639325382 406045654 /nfs/dbraw/zinc/04/56/54/406045654.db2.gz WVEVVQGJWQIBBG-CZUORRHYSA-N 1 0 301.390 2.293 10 0 DEAERO Cn1ncnc1CN[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000639362602 406064841 /nfs/dbraw/zinc/06/48/41/406064841.db2.gz ONTIATRREVGPPO-KRWDZBQOSA-N 1 0 313.449 2.350 10 0 DEAERO CO[C@H](C)[C@@H](C)NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000518850558 406162049 /nfs/dbraw/zinc/16/20/49/406162049.db2.gz MWZYJHFLNVQCGB-CAOSSQGBSA-N 1 0 313.486 2.467 10 0 DEAERO C(c1noc(CN2CCC[C@H]([NH+]3CCCC3)CC2)n1)C1CC1 ZINC000639495422 406114700 /nfs/dbraw/zinc/11/47/00/406114700.db2.gz GVEQDUHJJYFAHX-HNNXBMFYSA-N 1 0 304.438 2.472 10 0 DEAERO c1nc2n(n1)[C@H](C[N@H+]1CC[C@@H](COCc3ccccc3)C1)CC2 ZINC000639499405 406115964 /nfs/dbraw/zinc/11/59/64/406115964.db2.gz AQFHFXQYQYGAFG-SJORKVTESA-N 1 0 312.417 2.304 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc(Cc2cccnc2)no1 ZINC000634558726 406170963 /nfs/dbraw/zinc/17/09/63/406170963.db2.gz JOMJSRKYOAZXNF-MRXNPFEDSA-N 1 0 323.400 2.187 10 0 DEAERO CC[NH+](CC)CC1CCN([C@H](C(=O)OC)c2cccnc2)CC1 ZINC000533460409 406143859 /nfs/dbraw/zinc/14/38/59/406143859.db2.gz UJHRSRYCBXZGKO-KRWDZBQOSA-N 1 0 319.449 2.350 10 0 DEAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000519144251 406181343 /nfs/dbraw/zinc/18/13/43/406181343.db2.gz XPHNEFSEFVZTLQ-DOTOQJQBSA-N 1 0 321.417 2.176 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000519144252 406181771 /nfs/dbraw/zinc/18/17/71/406181771.db2.gz XPHNEFSEFVZTLQ-NVXWUHKLSA-N 1 0 321.417 2.176 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@H]1CSc2ccccc21 ZINC000536016286 406248103 /nfs/dbraw/zinc/24/81/03/406248103.db2.gz CBLCZQUQWFHFNZ-AWEZNQCLSA-N 1 0 314.414 2.062 10 0 DEAERO c1csc(-c2nccc(N3CCC[C@H]4C[NH2+]CC[C@H]43)n2)n1 ZINC000634812898 406296008 /nfs/dbraw/zinc/29/60/08/406296008.db2.gz UBAAXJMYLZGHQE-NWDGAFQWSA-N 1 0 301.419 2.178 10 0 DEAERO O=C(c1occc1Br)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632858316 406294586 /nfs/dbraw/zinc/29/45/86/406294586.db2.gz LDLCXYKPXBLTJT-GXSJLCMTSA-N 1 0 313.195 2.256 10 0 DEAERO C[C@H]1C[C@H]1C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000488438623 406319580 /nfs/dbraw/zinc/31/95/80/406319580.db2.gz MFRZAQBZFDLFGL-YOEHRIQHSA-N 1 0 322.474 2.358 10 0 DEAERO CC[C@H](Oc1ccccc1C)C(=O)NCCNc1cc[nH+]cc1 ZINC000488532401 406327864 /nfs/dbraw/zinc/32/78/64/406327864.db2.gz NILQGGOLGFQGTP-INIZCTEOSA-N 1 0 313.401 2.198 10 0 DEAERO CSc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](CO)[C@H]2C)cc1 ZINC000488809415 406350981 /nfs/dbraw/zinc/35/09/81/406350981.db2.gz TXDLRVKXTWEVHW-HIFRSBDPSA-N 1 0 322.474 2.070 10 0 DEAERO c1ccc(CCOC2CCN(CC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000634992727 406388699 /nfs/dbraw/zinc/38/86/99/406388699.db2.gz YVQLUOPDFXMTPY-UHFFFAOYSA-N 1 0 300.446 2.462 10 0 DEAERO Brc1cccc2c1C[C@@H]1[C@H](NCC34CC(C3)C[NH2+]4)[C@H]21 ZINC000634997761 406391700 /nfs/dbraw/zinc/39/17/00/406391700.db2.gz RVAZBGRXCTYAFO-WFZPCRQYSA-N 1 0 319.246 2.429 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)Nc2ccc3c(c2)COC3)CC1 ZINC000547288943 406395478 /nfs/dbraw/zinc/39/54/78/406395478.db2.gz FEFJZRMPZFFAGD-UHFFFAOYSA-N 1 0 301.390 2.490 10 0 DEAERO COC(=O)[C@H](C1CC1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000488978840 406366524 /nfs/dbraw/zinc/36/65/24/406366524.db2.gz KCEPTBCGINOCNF-JSGCOSHPSA-N 1 0 308.353 2.016 10 0 DEAERO CC(C)C[C@@H]1CCCN1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637920008 406477899 /nfs/dbraw/zinc/47/78/99/406477899.db2.gz KHGYWRYNEKQVEC-ZWKOTPCHSA-N 1 0 317.477 2.483 10 0 DEAERO CCN(C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000637867729 406454292 /nfs/dbraw/zinc/45/42/92/406454292.db2.gz BDJOQRXITAXTCA-GOSISDBHSA-N 1 0 311.429 2.499 10 0 DEAERO CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638032766 406533192 /nfs/dbraw/zinc/53/31/92/406533192.db2.gz APJPZPUZDLQUMG-IKGGRYGDSA-N 1 0 303.450 2.141 10 0 DEAERO CC[C@@]1(C)CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638030812 406533241 /nfs/dbraw/zinc/53/32/41/406533241.db2.gz LPFWPVRPNBUCDK-AEFFLSMTSA-N 1 0 303.450 2.094 10 0 DEAERO COc1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)cc1Br ZINC000637975724 406505534 /nfs/dbraw/zinc/50/55/34/406505534.db2.gz VRUMZEJWCAFNOA-VIFPVBQESA-N 1 0 311.179 2.444 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC(C)(C)CC1 ZINC000637980189 406507272 /nfs/dbraw/zinc/50/72/72/406507272.db2.gz WEXFOQAVZACMNX-INIZCTEOSA-N 1 0 303.450 2.094 10 0 DEAERO c1ccc(N2CC[C@H](C[NH+]3CCN(c4cccnn4)CC3)C2)cc1 ZINC000638000321 406516943 /nfs/dbraw/zinc/51/69/43/406516943.db2.gz QQGRZZCNSPULFN-QGZVFWFLSA-N 1 0 323.444 2.125 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NCc2ncccc2F)CC1 ZINC000527228020 406599972 /nfs/dbraw/zinc/59/99/72/406599972.db2.gz ILSRAVLOYMZONL-UHFFFAOYSA-N 1 0 322.428 2.484 10 0 DEAERO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000527224756 406599988 /nfs/dbraw/zinc/59/99/88/406599988.db2.gz AEJTVZNBCPVPBC-GRYCIOLGSA-N 1 0 307.360 2.311 10 0 DEAERO Cc1cccc(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)c1O ZINC000638170527 406603970 /nfs/dbraw/zinc/60/39/70/406603970.db2.gz SBWSTJYOLUSUQT-HNNXBMFYSA-N 1 0 313.401 2.098 10 0 DEAERO OCCN1CCC[C@@H]([NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527655703 406704897 /nfs/dbraw/zinc/70/48/97/406704897.db2.gz NPCGNCQJDYHYKX-SNVBAGLBSA-N 1 0 304.768 2.165 10 0 DEAERO C[C@H](CCC1CC1)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638308745 406690064 /nfs/dbraw/zinc/69/00/64/406690064.db2.gz XHIDMJGZBQSAMY-RHSMWYFYSA-N 1 0 303.450 2.141 10 0 DEAERO C[C@@H]([NH2+]CCOCC1CCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000552280671 406699931 /nfs/dbraw/zinc/69/99/31/406699931.db2.gz PHVQBEAPLOSGJD-GFCCVEGCSA-N 1 0 304.390 2.485 10 0 DEAERO CN(CCC(C)(C)C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638375315 406733916 /nfs/dbraw/zinc/73/39/16/406733916.db2.gz XKLNWXHMIXRRJL-INIZCTEOSA-N 1 0 305.466 2.340 10 0 DEAERO [NH3+]C[C@@]1(C(=O)NCc2ccc(Cl)c(Cl)c2)CCCOC1 ZINC000638414324 406758644 /nfs/dbraw/zinc/75/86/44/406758644.db2.gz FELLVWOJZZBYSU-AWEZNQCLSA-N 1 0 317.216 2.365 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC2(CCC2)CC1 ZINC000638439724 406772936 /nfs/dbraw/zinc/77/29/36/406772936.db2.gz WHEUURDMICZPTR-QGZVFWFLSA-N 1 0 315.461 2.238 10 0 DEAERO Cc1cc(F)cc2c1C[N@H+](C[C@H](O)COC[C@H]1CCCO1)CC2 ZINC000554563414 406812112 /nfs/dbraw/zinc/81/21/12/406812112.db2.gz ODQKHFNWWHVHQI-DLBZAZTESA-N 1 0 323.408 2.049 10 0 DEAERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643617670 407017476 /nfs/dbraw/zinc/01/74/76/407017476.db2.gz LXLLJQIRVFKGMW-YOEHRIQHSA-N 1 0 302.418 2.050 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643619040 407018475 /nfs/dbraw/zinc/01/84/75/407018475.db2.gz JXJAKLWCSVLLTC-LLVKDONJSA-N 1 0 317.216 2.188 10 0 DEAERO Brc1ccc(-c2noc([C@@H]3C[NH2+]CCOC3)n2)cc1 ZINC000644512882 407133017 /nfs/dbraw/zinc/13/30/17/407133017.db2.gz HVCQQRYIQXJCJB-SNVBAGLBSA-N 1 0 324.178 2.203 10 0 DEAERO c1cnc(N2CCC[C@H]([NH2+]CC3Cc4ccccc4C3)C2)nc1 ZINC000571011716 292519972 /nfs/dbraw/zinc/51/99/72/292519972.db2.gz BQBJOENBXFVMIX-SFHVURJKSA-N 1 0 308.429 2.450 10 0 DEAERO [NH3+][C@H](CNC(=O)c1cc(Br)cn1C1CC1)C1CC1 ZINC000129185628 196026871 /nfs/dbraw/zinc/02/68/71/196026871.db2.gz ZWVFALUIZMSBBG-LLVKDONJSA-N 1 0 312.211 2.053 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc(Cl)ncc2Cl)C[C@H]1[NH+](C)C ZINC000129378899 196043157 /nfs/dbraw/zinc/04/31/57/196043157.db2.gz XLVVCUGUMJRJCE-LDYMZIIASA-N 1 0 302.205 2.411 10 0 DEAERO CC(C)[NH2+]CCC(C)(C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000129480093 196051288 /nfs/dbraw/zinc/05/12/88/196051288.db2.gz KEDOOQLWKSYCNR-CQSZACIVSA-N 1 0 304.500 2.462 10 0 DEAERO CC1(CNc2nc3ccc(Br)cn3n2)CC[NH2+]CC1 ZINC000129487900 196052052 /nfs/dbraw/zinc/05/20/52/196052052.db2.gz JVUQWNANRLLZBU-UHFFFAOYSA-N 1 0 324.226 2.293 10 0 DEAERO C[C@@H](CC(=O)N(C)C1C[NH2+]C1)c1ccc(Br)cc1 ZINC000129751799 196073165 /nfs/dbraw/zinc/07/31/65/196073165.db2.gz LPZJCCVKCNISRC-JTQLQIEISA-N 1 0 311.223 2.373 10 0 DEAERO O=C1C[C@H]([NH2+]CCCCC(F)(F)F)C(=O)N1C1CCCC1 ZINC000130550014 196089292 /nfs/dbraw/zinc/08/92/92/196089292.db2.gz YXDABZUQBCMBEH-NSHDSACASA-N 1 0 306.328 2.379 10 0 DEAERO C[NH2+]C[C@H]1COCCN1Cc1ccc(F)c(Br)c1 ZINC000130716009 196103025 /nfs/dbraw/zinc/10/30/25/196103025.db2.gz LTCTZOYNEQKUCT-NSHDSACASA-N 1 0 317.202 2.008 10 0 DEAERO CCC[NH2+][C@H](Cc1ncnn1C)c1ccc(Br)cn1 ZINC000130918829 196122420 /nfs/dbraw/zinc/12/24/20/196122420.db2.gz GDHDFBHNNOOLFD-GFCCVEGCSA-N 1 0 324.226 2.256 10 0 DEAERO CC[NH2+][C@]1(CO)CCC[C@@H]1CCSc1nc(C)ns1 ZINC000131015458 196132971 /nfs/dbraw/zinc/13/29/71/196132971.db2.gz GDNPYVMISBQOMF-YPMHNXCESA-N 1 0 301.481 2.469 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)Nc1nc(N)ncc1Br ZINC000131041398 196134487 /nfs/dbraw/zinc/13/44/87/196134487.db2.gz DYIGNFHOXCOHKK-SECBINFHSA-N 1 0 314.231 2.108 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000131188825 196148903 /nfs/dbraw/zinc/14/89/03/196148903.db2.gz JKDCTICEGMLQPN-LLVKDONJSA-N 1 0 311.325 2.410 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NC[C@H](C)OCC)cc1 ZINC000131231098 196152558 /nfs/dbraw/zinc/15/25/58/196152558.db2.gz QZUFEEBLWCNULC-QWHCGFSZSA-N 1 0 314.451 2.060 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1cccc(F)c1Br ZINC000131341432 196160793 /nfs/dbraw/zinc/16/07/93/196160793.db2.gz DIDLRMHVOXWVID-SNVBAGLBSA-N 1 0 324.215 2.413 10 0 DEAERO C[S@@](=O)CC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000131358359 196161783 /nfs/dbraw/zinc/16/17/83/196161783.db2.gz DBCHLFINULGBTP-DIFFPNOSSA-N 1 0 318.236 2.241 10 0 DEAERO C[NH+](C)C[C@](C)(O)CNCc1cccc(OCC(F)(F)F)c1 ZINC000131443099 196170094 /nfs/dbraw/zinc/17/00/94/196170094.db2.gz IASPXBSGIBXNBD-CQSZACIVSA-N 1 0 320.355 2.030 10 0 DEAERO CC(C)n1ncc(Br)c1[C@@](C)(O)[C@H]1CCC[NH2+]C1 ZINC000131535562 196178191 /nfs/dbraw/zinc/17/81/91/196178191.db2.gz LJSAFWPSBWJUDV-GWCFXTLKSA-N 1 0 316.243 2.434 10 0 DEAERO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000131551844 196179535 /nfs/dbraw/zinc/17/95/35/196179535.db2.gz QFUSVFJAJDZHBU-RCCFBDPRSA-N 1 0 320.502 2.355 10 0 DEAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)Nc1cccc2ccncc21 ZINC000131553166 196179589 /nfs/dbraw/zinc/17/95/89/196179589.db2.gz WFZIQPLTVUOPKO-CYBMUJFWSA-N 1 0 305.403 2.119 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](C(C)C)C(=O)N2[C@@H](C)C[NH+](C)C)s1 ZINC000131659124 196189041 /nfs/dbraw/zinc/18/90/41/196189041.db2.gz MFQFAUYYGWJSEI-NILFDRSVSA-N 1 0 309.479 2.462 10 0 DEAERO CC(C)[C@H]1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000131712858 196192640 /nfs/dbraw/zinc/19/26/40/196192640.db2.gz LBFUVYUNRRKUFM-HOTGVXAUSA-N 1 0 316.511 2.416 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000131721171 196193845 /nfs/dbraw/zinc/19/38/45/196193845.db2.gz INRYOFNDTSRFAZ-KBPBESRZSA-N 1 0 319.453 2.055 10 0 DEAERO CCOC(C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)OCC ZINC000131785466 196199447 /nfs/dbraw/zinc/19/94/47/196199447.db2.gz UMDPQTPUXFPQJP-UHFFFAOYSA-N 1 0 302.415 2.031 10 0 DEAERO C[C@@H](O)C[C@H]1CCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000131902534 196209100 /nfs/dbraw/zinc/20/91/00/196209100.db2.gz FKILZVOEXYBGCE-PRLABOORSA-N 1 0 311.470 2.052 10 0 DEAERO C[C@H](O)C[C@H]1CCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000131902300 196209243 /nfs/dbraw/zinc/20/92/43/196209243.db2.gz FKILZVOEXYBGCE-SLTXQBBLSA-N 1 0 311.470 2.052 10 0 DEAERO O=S(=O)(c1ccc(NC[C@@H]2CC[NH2+]C2)cc1)C(F)(F)F ZINC000131922873 196211247 /nfs/dbraw/zinc/21/12/47/196211247.db2.gz KEQOMFCDJUXCIE-SECBINFHSA-N 1 0 308.325 2.002 10 0 DEAERO COCCCNC(=O)[C@H](C)Oc1ccc([C@H](C)[NH3+])cc1Cl ZINC000132158374 196231333 /nfs/dbraw/zinc/23/13/33/196231333.db2.gz CQWKZBKWTUJHDA-QWRGUYRKSA-N 1 0 314.813 2.280 10 0 DEAERO [NH3+]C1(C(=O)N2CCc3sccc3[C@@H]2C2CC2)CCOCC1 ZINC000132165976 196232307 /nfs/dbraw/zinc/23/23/07/196232307.db2.gz YKEZMXYYRQAKGX-AWEZNQCLSA-N 1 0 306.431 2.092 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1[C@H](O)C(C)(C)C ZINC000132223146 196237291 /nfs/dbraw/zinc/23/72/91/196237291.db2.gz XLCQAAADASZYLZ-NSHDSACASA-N 1 0 304.232 2.287 10 0 DEAERO COC[C@@H](C)[C@H]1C[NH+]=C(N)N1c1ccccc1Br ZINC000132496022 196260577 /nfs/dbraw/zinc/26/05/77/196260577.db2.gz QBXVUFJKMUSSAW-BXKDBHETSA-N 1 0 312.211 2.235 10 0 DEAERO CCn1nc(C)c(Br)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000132724753 196278194 /nfs/dbraw/zinc/27/81/94/196278194.db2.gz BYSOXCGOUPBHEI-FOGDFJRCSA-N 1 0 314.227 2.383 10 0 DEAERO CCCn1ncc(Br)c1[C@H](O)[C@H]1CCC[NH2+]C1 ZINC000132877135 196292650 /nfs/dbraw/zinc/29/26/50/196292650.db2.gz MUIVCANHFUJTFY-JOYOIKCWSA-N 1 0 302.216 2.089 10 0 DEAERO COc1ccc(C[C@@H](O)C2CC[NH2+]CC2)cc1Br ZINC000133029931 196306153 /nfs/dbraw/zinc/30/61/53/196306153.db2.gz SHDBFLBNFWPVPG-CYBMUJFWSA-N 1 0 314.223 2.361 10 0 DEAERO O[C@H](Cc1ccc(F)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000133109199 196312505 /nfs/dbraw/zinc/31/25/05/196312505.db2.gz OPEHFMFXQHVIJZ-ZWNOBZJWSA-N 1 0 302.187 2.491 10 0 DEAERO CC[C@@H](C)c1nc(N(CCOC)CCOC)sc1C[NH2+]C ZINC000133134238 196313861 /nfs/dbraw/zinc/31/38/61/196313861.db2.gz WPXQATRXDHJXKT-GFCCVEGCSA-N 1 0 315.483 2.475 10 0 DEAERO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000133203186 196321103 /nfs/dbraw/zinc/32/11/03/196321103.db2.gz SGZQCYDEMRISOJ-VIFPVBQESA-N 1 0 324.368 2.148 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)C1CCOCC1)c1cc(C)cc(C)c1 ZINC000133971902 196350381 /nfs/dbraw/zinc/35/03/81/196350381.db2.gz VBWKQSALVJLYPD-MRXNPFEDSA-N 1 0 311.447 2.158 10 0 DEAERO [NH3+]Cc1cc(-c2nn3c(nnc3C3CCCC3)s2)ccn1 ZINC000134013503 196353084 /nfs/dbraw/zinc/35/30/84/196353084.db2.gz LSWOZFKIPIESRJ-UHFFFAOYSA-N 1 0 300.391 2.364 10 0 DEAERO C[NH+](C)CCn1ncc(Cl)c1C(=O)[C@@H]1CSCCS1 ZINC000134210275 196370979 /nfs/dbraw/zinc/37/09/79/196370979.db2.gz PPRRGFMAFYCYLX-JTQLQIEISA-N 1 0 319.883 2.129 10 0 DEAERO CC[C@@H](CCO)N[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000134373188 196382846 /nfs/dbraw/zinc/38/28/46/196382846.db2.gz RWFICLKHSOFOIS-GXFFZTMASA-N 1 0 319.218 2.339 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H]([NH3+])C[C@@H](C)OC ZINC000134451389 196392754 /nfs/dbraw/zinc/39/27/54/196392754.db2.gz MQZSYPMYMQHZMX-SCZZXKLOSA-N 1 0 304.232 2.269 10 0 DEAERO Cc1cccc(S(=O)(=O)N[C@](C)(C[NH3+])c2ccccc2)c1 ZINC000134474315 196395057 /nfs/dbraw/zinc/39/50/57/196395057.db2.gz AZJQMTGMOQENND-MRXNPFEDSA-N 1 0 304.415 2.147 10 0 DEAERO CSc1nnc(Sc2c(C[C@H](C)[NH3+])c(C)nn2C)s1 ZINC000135594710 196491360 /nfs/dbraw/zinc/49/13/60/196491360.db2.gz LKBRSSROKOSLEO-LURJTMIESA-N 1 0 315.493 2.343 10 0 DEAERO Nc1c2ccncc2sc1C(=O)NCCC[NH+]1CCCC1 ZINC000135940513 196510745 /nfs/dbraw/zinc/51/07/45/196510745.db2.gz VPQPWXULJHWQEH-UHFFFAOYSA-N 1 0 304.419 2.094 10 0 DEAERO CCOC(=O)[C@H]1CCc2sc(NCCCC[NH+](C)C)nc21 ZINC000136690878 196547354 /nfs/dbraw/zinc/54/73/54/196547354.db2.gz AVPBVFLRQPCAQM-NSHDSACASA-N 1 0 311.451 2.490 10 0 DEAERO CCC[NH2+]Cc1sccc1S(=O)(=O)N(C)CC(F)F ZINC000137053305 196562862 /nfs/dbraw/zinc/56/28/62/196562862.db2.gz GYFKCDUJZOFQTM-UHFFFAOYSA-N 1 0 312.407 2.133 10 0 DEAERO O=C(C/C=C/c1ccc(F)cc1)NCC[N@@H+]1CCCOCC1 ZINC000189395240 225051280 /nfs/dbraw/zinc/05/12/80/225051280.db2.gz HAPUVSOXFLWNJC-HNQUOIGGSA-N 1 0 306.381 2.068 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(I)cn1 ZINC000420252037 229620223 /nfs/dbraw/zinc/62/02/23/229620223.db2.gz YYCGBLCXPGJCBT-PSASIEDQSA-N 1 0 317.174 2.239 10 0 DEAERO C[C@@H]1CCN(c2ccccc2S(=O)(=O)C(F)F)C[C@H]1C[NH3+] ZINC000253196572 287604736 /nfs/dbraw/zinc/60/47/36/287604736.db2.gz SXPAHOHOLXJISF-GHMZBOCLSA-N 1 0 318.389 2.104 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(SC)ncc2Cl)C1 ZINC000048753627 424835907 /nfs/dbraw/zinc/83/59/07/424835907.db2.gz BUNRBSCAMBPTON-SECBINFHSA-N 1 0 314.842 2.066 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876279 424849621 /nfs/dbraw/zinc/84/96/21/424849621.db2.gz SHIGFVAOIGEGMK-LSDHHAIUSA-N 1 0 320.481 2.368 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000194452112 424875892 /nfs/dbraw/zinc/87/58/92/424875892.db2.gz YSEYBUCWJNIEGJ-NVXWUHKLSA-N 1 0 319.449 2.202 10 0 DEAERO Nc1cc(C[N@@H+]2CC[C@](O)(Cc3cccc(Cl)c3)C2)ccn1 ZINC000365493962 424860647 /nfs/dbraw/zinc/86/06/47/424860647.db2.gz VNVVRERLNJTVIU-KRWDZBQOSA-N 1 0 317.820 2.497 10 0 DEAERO Cc1cc(NC(=O)CC[N@@H+]2CCO[C@@H](C3CCCCC3)C2)no1 ZINC000329473219 424905308 /nfs/dbraw/zinc/90/53/08/424905308.db2.gz ZQNXXNHNLFEFPJ-OAHLLOKOSA-N 1 0 321.421 2.593 10 0 DEAERO O=C1C[C@@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CCCN1 ZINC000379637647 424907943 /nfs/dbraw/zinc/90/79/43/424907943.db2.gz SVSPGPDJFZHQLJ-ROUUACIJSA-N 1 0 315.461 2.299 10 0 DEAERO O=C1C[C@@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CCCN1 ZINC000379637650 424907984 /nfs/dbraw/zinc/90/79/84/424907984.db2.gz SVSPGPDJFZHQLJ-ZWKOTPCHSA-N 1 0 315.461 2.299 10 0 DEAERO Cc1ccc(Br)c(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000389877596 424916201 /nfs/dbraw/zinc/91/62/01/424916201.db2.gz VWOKTFACVFXXOW-GWCFXTLKSA-N 1 0 311.223 2.485 10 0 DEAERO Cc1nnc(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)nc1C ZINC000397936906 424921239 /nfs/dbraw/zinc/92/12/39/424921239.db2.gz XVHWKMQYQYLWHL-GOSISDBHSA-N 1 0 311.433 2.955 10 0 DEAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ncccc1Br ZINC000401608735 424924231 /nfs/dbraw/zinc/92/42/31/424924231.db2.gz IXFWEMAVBSLAGZ-LLVKDONJSA-N 1 0 324.222 2.249 10 0 DEAERO O[C@]1(CC[NH2+]Cc2ccc(F)cc2Br)CCOC1 ZINC000404195474 424925996 /nfs/dbraw/zinc/92/59/96/424925996.db2.gz HPDQBBFFEIZAAN-CYBMUJFWSA-N 1 0 318.186 2.219 10 0 DEAERO Brc1cnn(CCC[NH2+]Cc2ccns2)c1 ZINC000404480217 424928319 /nfs/dbraw/zinc/92/83/19/424928319.db2.gz VXVOBBVIYCCFIN-UHFFFAOYSA-N 1 0 301.213 2.282 10 0 DEAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1nscc1Br ZINC000404883649 424929725 /nfs/dbraw/zinc/92/97/25/424929725.db2.gz CWZLNGGJJFCRSX-VIFPVBQESA-N 1 0 320.256 2.351 10 0 DEAERO CN(CC[NH+]1CCCC1)C(=O)c1nscc1Br ZINC000404878789 424929997 /nfs/dbraw/zinc/92/99/97/424929997.db2.gz YQFYXDLSNWSULX-UHFFFAOYSA-N 1 0 318.240 2.073 10 0 DEAERO c1nnc2ccc(NC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)nn12 ZINC000560193622 424888549 /nfs/dbraw/zinc/88/85/49/424888549.db2.gz XQWRSNGFHTUAML-INIZCTEOSA-N 1 0 322.416 2.591 10 0 DEAERO CCN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057043 425391537 /nfs/dbraw/zinc/39/15/37/425391537.db2.gz LJARHNGSXXHUNT-CHWSQXEVSA-N 1 0 300.324 2.433 10 0 DEAERO CCc1nc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)sc1C ZINC000653074114 425395524 /nfs/dbraw/zinc/39/55/24/425395524.db2.gz ZVHNMXPAXZYWPC-HTQZYQBOSA-N 1 0 307.341 2.350 10 0 DEAERO CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH2+]C(C)(C)C ZINC000174238598 267494726 /nfs/dbraw/zinc/49/47/26/267494726.db2.gz CELLOZSGZNTEKL-LBPRGKRZSA-N 1 0 315.458 2.184 10 0 DEAERO [NH3+]C[C@@H]1CCCN1C(=O)Cc1ccc(Br)cc1F ZINC000662422874 425647202 /nfs/dbraw/zinc/64/72/02/425647202.db2.gz AWAWHMGPTIYHQS-NSHDSACASA-N 1 0 315.186 2.080 10 0 DEAERO [NH3+]CC12CC(C1)CN2c1ncc(Br)cc1Cl ZINC000656610530 425803503 /nfs/dbraw/zinc/80/35/03/425803503.db2.gz DHPQHBHUPBQMPK-UHFFFAOYSA-N 1 0 302.603 2.425 10 0 DEAERO OCC1CC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000663374584 425833398 /nfs/dbraw/zinc/83/33/98/425833398.db2.gz LGVCHPPZAKDAHY-ILDUYXDCSA-N 1 0 320.216 2.094 10 0 DEAERO CN(C)c1ccc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)nc1 ZINC000333114366 268886115 /nfs/dbraw/zinc/88/61/15/268886115.db2.gz HARLYCSVXZJBCD-OAHLLOKOSA-N 1 0 317.437 2.144 10 0 DEAERO CCc1noc(C)c1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333147577 268892252 /nfs/dbraw/zinc/89/22/52/268892252.db2.gz HJXGLLMUZZGZBY-AGUYFDCRSA-N 1 0 320.437 2.360 10 0 DEAERO [NH3+]Cc1cccnc1NC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000333317625 268925624 /nfs/dbraw/zinc/92/56/24/268925624.db2.gz MNBWFZOUGGROCH-UHFFFAOYSA-N 1 0 300.406 2.487 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(Cc2cccnc2)CC1 ZINC000333482959 268953926 /nfs/dbraw/zinc/95/39/26/268953926.db2.gz CIUKQNCXCADJKJ-WMLDXEAASA-N 1 0 316.449 2.044 10 0 DEAERO CC1(C)CN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@H]1c1cccnc1 ZINC000333627460 268965339 /nfs/dbraw/zinc/96/53/39/268965339.db2.gz FZZNDZOIRWIZHJ-GJZGRUSLSA-N 1 0 302.422 2.316 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333894670 269001721 /nfs/dbraw/zinc/00/17/21/269001721.db2.gz HPXKDKMJXAQIAJ-BFHYXJOUSA-N 1 0 303.406 2.007 10 0 DEAERO CCn1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1=O ZINC000333906646 269003445 /nfs/dbraw/zinc/00/34/45/269003445.db2.gz CWOGANLLPIEXEV-AGUYFDCRSA-N 1 0 318.421 2.005 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3nc4ccccc4nc3N3CCCC3)C[C@@H]12 ZINC000333918051 269004554 /nfs/dbraw/zinc/00/45/54/269004554.db2.gz OAMUQUHIFZQWCL-RBSFLKMASA-N 1 0 323.444 2.404 10 0 DEAERO CC(C)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000333926667 269005097 /nfs/dbraw/zinc/00/50/97/269005097.db2.gz VQAXAUHWXBTVNY-MWDXBVQZSA-N 1 0 323.481 2.221 10 0 DEAERO CC(C)C[C@@H]1C(=O)NCCCN1C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000334130747 269023072 /nfs/dbraw/zinc/02/30/72/269023072.db2.gz UCLQSIAWSHUKOC-YHUYYLMFSA-N 1 0 323.481 2.011 10 0 DEAERO C[C@H](C[C@@H]1COCCN1)[NH2+]CCCCOCc1ccccc1 ZINC000390553587 269097371 /nfs/dbraw/zinc/09/73/71/269097371.db2.gz FPUJORLPCWZMAK-SJLPKXTDSA-N 1 0 306.450 2.340 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCN2CC=CCC2)C1 ZINC000392294895 269099364 /nfs/dbraw/zinc/09/93/64/269099364.db2.gz QGOBWJZAJJCVCA-MRXNPFEDSA-N 1 0 323.481 2.485 10 0 DEAERO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C)c1ccccc1Cl ZINC000395175483 269101223 /nfs/dbraw/zinc/10/12/23/269101223.db2.gz JBDVFYMRRBUDRI-XQQFMLRXSA-N 1 0 310.825 2.220 10 0 DEAERO CCN1CCC[C@H]([NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495606444 269159779 /nfs/dbraw/zinc/15/97/79/269159779.db2.gz YBHFMNLPFLYBHG-ZFWWWQNUSA-N 1 0 311.470 2.316 10 0 DEAERO Cc1cc(CC[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)on1 ZINC000507222314 269315394 /nfs/dbraw/zinc/31/53/94/269315394.db2.gz SUCKBAOABWDOSK-LBPRGKRZSA-N 1 0 308.403 2.280 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000516704771 269367917 /nfs/dbraw/zinc/36/79/17/269367917.db2.gz UALIKBLWGPMDAC-JKSUJKDBSA-N 1 0 302.422 2.183 10 0 DEAERO CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H](C)C[NH3+])n2)cc1 ZINC000262550514 273561436 /nfs/dbraw/zinc/56/14/36/273561436.db2.gz XURIOTXXVSALBL-LBPRGKRZSA-N 1 0 316.405 2.256 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1nc2ccccc2[nH]1 ZINC000261648991 273592927 /nfs/dbraw/zinc/59/29/27/273592927.db2.gz FMVMQVRKQDBFFF-MNRXQERYSA-N 1 0 314.389 2.034 10 0 DEAERO CCn1c2ccc(Br)cc2nc1NC(=O)[C@H](C)[NH3+] ZINC000158163989 273779109 /nfs/dbraw/zinc/77/91/09/273779109.db2.gz FKYRBLYJQABWDM-ZETCQYMHSA-N 1 0 311.183 2.104 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000187954673 274319108 /nfs/dbraw/zinc/31/91/08/274319108.db2.gz RVPKWBAXLPJOEN-DYVFJYSZSA-N 1 0 324.852 2.439 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCc2c1cccc2O ZINC000266127001 274373650 /nfs/dbraw/zinc/37/36/50/274373650.db2.gz QGRRWUPHCZUXAW-XJKCOSOUSA-N 1 0 315.417 2.258 10 0 DEAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000176739843 275399781 /nfs/dbraw/zinc/39/97/81/275399781.db2.gz OVRRSDGJDGAXRJ-QSOAKEGCSA-N 1 0 306.381 2.018 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H]1c2ccccc2NC1=O ZINC000126819334 275593896 /nfs/dbraw/zinc/59/38/96/275593896.db2.gz UDLPVLFBCKBIBB-HIFRSBDPSA-N 1 0 317.433 2.205 10 0 DEAERO Brc1cncnc1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420253169 275715181 /nfs/dbraw/zinc/71/51/81/275715181.db2.gz DJEXTILCXOJVLK-LLVKDONJSA-N 1 0 311.227 2.065 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@H]1c2ccccc2NC1=O ZINC000126819083 275900097 /nfs/dbraw/zinc/90/00/97/275900097.db2.gz UDLPVLFBCKBIBB-ZFWWWQNUSA-N 1 0 317.433 2.205 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000175331808 276182913 /nfs/dbraw/zinc/18/29/13/276182913.db2.gz YUDMLEQVOJRHDZ-HNNXBMFYSA-N 1 0 311.376 2.319 10 0 DEAERO CCOC(=O)CCCCC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000361528757 276276079 /nfs/dbraw/zinc/27/60/79/276276079.db2.gz WGRIUXWKSVKXDM-QGZVFWFLSA-N 1 0 313.438 2.380 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000122411564 276336240 /nfs/dbraw/zinc/33/62/40/276336240.db2.gz WYOOAODQHUQHGN-ZDUSSCGKSA-N 1 0 320.437 2.240 10 0 DEAERO COC(=O)C1(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)CCCCC1 ZINC000174014743 277050358 /nfs/dbraw/zinc/05/03/58/277050358.db2.gz NFOZKVTVFPDACE-UONOGXRCSA-N 1 0 310.438 2.099 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)[C@@H](O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000179316876 277167878 /nfs/dbraw/zinc/16/78/78/277167878.db2.gz AAFLKRSMOMRGPG-BZSNNMDCSA-N 1 0 310.397 2.282 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)[C@H](C[NH3+])C1 ZINC000261637787 277756038 /nfs/dbraw/zinc/75/60/38/277756038.db2.gz HNYTXBLFBSJHSL-KOLCDFICSA-N 1 0 320.817 2.227 10 0 DEAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC000058525565 278051045 /nfs/dbraw/zinc/05/10/45/278051045.db2.gz RQMUUILCJQCTAQ-INIZCTEOSA-N 1 0 302.418 2.325 10 0 DEAERO C[C@@H](CCn1cccn1)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000158721360 278237182 /nfs/dbraw/zinc/23/71/82/278237182.db2.gz BESAJWWMCZPXBN-KBPBESRZSA-N 1 0 321.446 2.416 10 0 DEAERO C[C@H]([NH2+]CC(=O)Nc1nccs1)c1ccc2c(c1)OCCO2 ZINC000176483583 278255332 /nfs/dbraw/zinc/25/53/32/278255332.db2.gz QAKZPXFPPZSAKN-JTQLQIEISA-N 1 0 319.386 2.204 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NCc1ccco1)c1ccccc1-n1cccn1 ZINC000177202151 278338691 /nfs/dbraw/zinc/33/86/91/278338691.db2.gz WVHNJGGIWVJNSK-CQSZACIVSA-N 1 0 324.384 2.432 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc2c(c1)OCCCO2 ZINC000180583344 278388193 /nfs/dbraw/zinc/38/81/93/278388193.db2.gz QEQHXISWNVZERC-OCCSQVGLSA-N 1 0 314.389 2.105 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ncc(C(C)(C)C)o2)CC1 ZINC000071871591 278395795 /nfs/dbraw/zinc/39/57/95/278395795.db2.gz AXQWTTLWHVYYPX-CQSZACIVSA-N 1 0 323.481 2.497 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCSC[C@@H](C)C1 ZINC000192344249 278970731 /nfs/dbraw/zinc/97/07/31/278970731.db2.gz KOROKSJVFNFTLV-KBPBESRZSA-N 1 0 301.500 2.357 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000253350781 279039667 /nfs/dbraw/zinc/03/96/67/279039667.db2.gz BHBCCCAPUNIXBT-OTRWWLKZSA-N 1 0 306.450 2.277 10 0 DEAERO CC(C)C[C@H](C)S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000247511413 279117104 /nfs/dbraw/zinc/11/71/04/279117104.db2.gz NEIVGWWJBARJSH-RRFJBIMHSA-N 1 0 302.484 2.167 10 0 DEAERO C[C@@]1(CNC(=O)[C@@H]2CCCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000162324876 279160732 /nfs/dbraw/zinc/16/07/32/279160732.db2.gz IPHGQEOUUVGYJG-WMZOPIPTSA-N 1 0 302.418 2.336 10 0 DEAERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cn2ccnc2s1 ZINC000190992379 279322922 /nfs/dbraw/zinc/32/29/22/279322922.db2.gz XAOAJFBTGGHHQC-JHJVBQTASA-N 1 0 320.462 2.492 10 0 DEAERO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000132878123 280019882 /nfs/dbraw/zinc/01/98/82/280019882.db2.gz MIZSPKISSSBQFB-OAHLLOKOSA-N 1 0 300.468 2.138 10 0 DEAERO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1scnc1C1CC1 ZINC000089832602 281623623 /nfs/dbraw/zinc/62/36/23/281623623.db2.gz VBZJOUVXTIYTGM-CYBMUJFWSA-N 1 0 323.462 2.203 10 0 DEAERO C[C@H](Cc1ccccc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000112009797 281685999 /nfs/dbraw/zinc/68/59/99/281685999.db2.gz 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535606852 /nfs/dbraw/zinc/60/68/52/535606852.db2.gz BWYQTXKTHTWNOJ-GJZGRUSLSA-N 1 0 314.470 2.149 10 0 DEAERO CCOC(=O)c1cccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000237013569 535700714 /nfs/dbraw/zinc/70/07/14/535700714.db2.gz IDGMTEXZZRIXCI-AWEZNQCLSA-N 1 0 302.374 2.192 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CCO1 ZINC000247535334 535946080 /nfs/dbraw/zinc/94/60/80/535946080.db2.gz PVUCWQCUFWMLIY-OWCLPIDISA-N 1 0 322.836 2.233 10 0 DEAERO C[NH+](C)C[C@H]1CCN(C(=O)NCCc2cc(F)ccc2F)C1 ZINC000130235430 535962016 /nfs/dbraw/zinc/96/20/16/535962016.db2.gz UBPCPZZLNONURH-GFCCVEGCSA-N 1 0 311.376 2.100 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1nc(C)cs1 ZINC000246338183 536167515 /nfs/dbraw/zinc/16/75/15/536167515.db2.gz ORSMIMGMMBSZJR-STQMWFEESA-N 1 0 308.451 2.220 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3cc(F)ccc3F)CC[C@H]21 ZINC000248186225 536377744 /nfs/dbraw/zinc/37/77/44/536377744.db2.gz XKEONXPRYJPVMU-MLGOLLRUSA-N 1 0 308.372 2.450 10 0 DEAERO C[NH2+][C@H](C)Cc1noc([C@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000261611305 536405760 /nfs/dbraw/zinc/40/57/60/536405760.db2.gz AVUZXVRFRBYVPI-OLZOCXBDSA-N 1 0 314.389 2.049 10 0 DEAERO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc4c(c3)CCCO4)C[C@@H]21 ZINC000454668373 536466322 /nfs/dbraw/zinc/46/63/22/536466322.db2.gz ANMPXFVVWVNWOW-HIFRSBDPSA-N 1 0 301.390 2.179 10 0 DEAERO COc1ccc(C[C@H](C)CN2CCO[C@@H](C[NH+](C)C)C2)cc1F ZINC000248873483 536516706 /nfs/dbraw/zinc/51/67/06/536516706.db2.gz LAWNXUJGOYIKTD-HOCLYGCPSA-N 1 0 324.440 2.275 10 0 DEAERO COc1cc(C)c(C(=O)NCC2(C)CC[NH+](C)CC2)cc1OC ZINC000356917737 536559727 /nfs/dbraw/zinc/55/97/27/536559727.db2.gz OGKWJZSAJBPPAO-UHFFFAOYSA-N 1 0 320.433 2.474 10 0 DEAERO COc1cc(C)cc(CNC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000358179520 536637736 /nfs/dbraw/zinc/63/77/36/536637736.db2.gz AESOHRHVNZMWIS-UHFFFAOYSA-N 1 0 317.433 2.455 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)C1 ZINC000191875095 536742299 /nfs/dbraw/zinc/74/22/99/536742299.db2.gz NFMVIBMRXXUNKX-XOKHGSTOSA-N 1 0 304.434 2.439 10 0 DEAERO COc1ccc(CC[NH2+][C@H](C)C2(OC)CCOCC2)cc1OC ZINC000453058257 536840470 /nfs/dbraw/zinc/84/04/70/536840470.db2.gz OOXFTIGQJNQDNP-CQSZACIVSA-N 1 0 323.433 2.420 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000246827904 536863223 /nfs/dbraw/zinc/86/32/23/536863223.db2.gz GNLNNZYVYQDFDW-JJXSEGSLSA-N 1 0 311.470 2.221 10 0 DEAERO COc1cccc([C@H]2C[C@@H]2C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000247441506 536903563 /nfs/dbraw/zinc/90/35/63/536903563.db2.gz WYGUJRQDBNGYNH-AZGATIOISA-N 1 0 300.402 2.198 10 0 DEAERO COc1ccccc1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248163134 537017855 /nfs/dbraw/zinc/01/78/55/537017855.db2.gz SLPUPAMXUYLZDM-JKSUJKDBSA-N 1 0 302.418 2.180 10 0 DEAERO C[C@H]1CN(Cc2cnc(NC(=O)C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000725272072 563578058 /nfs/dbraw/zinc/57/80/58/563578058.db2.gz LYFVFQSVPLBSPT-CMPLNLGQSA-N 1 0 310.467 2.297 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@]2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000704098768 568414289 /nfs/dbraw/zinc/41/42/89/568414289.db2.gz ZJLRDEOATYZFGD-MRXNPFEDSA-N 1 0 306.410 2.172 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000186211030 625391743 /nfs/dbraw/zinc/39/17/43/625391743.db2.gz PYPUOXHLRSBUMJ-SFHVURJKSA-N 1 0 314.433 2.341 10 0 DEAERO C[C@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000049646047 622717934 /nfs/dbraw/zinc/71/79/34/622717934.db2.gz RSFFFXXOJSBROL-GXFFZTMASA-N 1 0 302.827 2.072 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)/C=C\c1ccccc1 ZINC000254999694 622909014 /nfs/dbraw/zinc/90/90/14/622909014.db2.gz XDGQCKBDRLWABY-VSKPTYQZSA-N 1 0 308.447 2.451 10 0 DEAERO Cc1cc(C)c2c(n1)sn(CN(C)C[C@H]1CCOC1)c2=O ZINC000176101463 624625219 /nfs/dbraw/zinc/62/52/19/624625219.db2.gz VTILJHNMRIPJPD-GFCCVEGCSA-N 1 0 307.419 2.001 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NN=c2cc(Cl)cc[nH]2)C1 ZINC000245520608 634427900 /nfs/dbraw/zinc/42/79/00/634427900.db2.gz 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/nfs/dbraw/zinc/21/19/24/625211924.db2.gz CNUYTSJKGDPGTE-GFCCVEGCSA-N 1 0 315.421 2.261 10 0 DEAERO C[C@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)[C@@H]1CO ZINC000227193413 625237309 /nfs/dbraw/zinc/23/73/09/625237309.db2.gz YNNZIBBKROYEAH-NWDGAFQWSA-N 1 0 307.419 2.433 10 0 DEAERO CC(C)[C@@](C)(O)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000309805829 625761496 /nfs/dbraw/zinc/76/14/96/625761496.db2.gz UKDJVVURIYXNGP-CJNGLKHVSA-N 1 0 300.443 2.383 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=S)Nc2ccc3c(c2)OCO3)C1 ZINC000735234113 633492673 /nfs/dbraw/zinc/49/26/73/633492673.db2.gz ASNGCZSRLRIZRG-NSHDSACASA-N 1 0 307.419 2.044 10 0 DEAERO CCCCCC[C@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248689743 634161447 /nfs/dbraw/zinc/16/14/47/634161447.db2.gz XPMHVGJXTGPSGY-JYJNAYRXSA-N 1 0 313.486 2.442 10 0 DEAERO CC(C)([NH3+])CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000096474898 635949878 /nfs/dbraw/zinc/94/98/78/635949878.db2.gz WPAKOICUSYTCFP-UHFFFAOYSA-N 1 0 314.304 2.268 10 0 DEAERO CC[C@@](C)(COC(=O)C1CC1)C[N@@H+]1CC[C@@H](OC(=O)C2CC2)C1 ZINC000249049672 636228741 /nfs/dbraw/zinc/22/87/41/636228741.db2.gz XBARSEMLVCJVLM-CRAIPNDOSA-N 1 0 323.433 2.383 10 0 DEAERO Cc1ccc(N2CCC[C@H](NC(=O)C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000249539004 636246284 /nfs/dbraw/zinc/24/62/84/636246284.db2.gz DIFNSEJGRKKTPT-CVEARBPZSA-N 1 0 301.434 2.080 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)COc1ccccc1OC ZINC000237073534 636371665 /nfs/dbraw/zinc/37/16/65/636371665.db2.gz ONZWJDQJJNUYFE-DVOMOZLQSA-N 1 0 308.422 2.200 10 0 DEAERO O=C(NCC[NH+]1CCCCCC1)Nc1ccc2nccn2c1 ZINC000738951917 637545147 /nfs/dbraw/zinc/54/51/47/637545147.db2.gz MJQAVTSDBFMAFE-UHFFFAOYSA-N 1 0 301.394 2.332 10 0 DEAERO C/C(=C\C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000745600592 638276510 /nfs/dbraw/zinc/27/65/10/638276510.db2.gz QUXGZLAXUSQBPB-ACCUITESSA-N 1 0 322.449 2.265 10 0 DEAERO Cc1nc(C[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C2)no1 ZINC000896156908 638383654 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COC(OC)[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000227262032 646597898 /nfs/dbraw/zinc/59/78/98/646597898.db2.gz IMVRTBYRKUPDPW-STQMWFEESA-N 1 0 316.442 2.373 10 0 DEAERO Cc1sc(C[NH2+][C@@H]2CCCNC2=O)cc1Br ZINC000227824731 646608188 /nfs/dbraw/zinc/60/81/88/646608188.db2.gz BUCPVYZVNMJLIF-SNVBAGLBSA-N 1 0 303.225 2.187 10 0 DEAERO C[C@H](CO)CCC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000228291715 646623049 /nfs/dbraw/zinc/62/30/49/646623049.db2.gz YIWMLLXYAZQDDY-UONOGXRCSA-N 1 0 300.443 2.384 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C(\C)c1cccc(F)c1 ZINC000171807052 646713949 /nfs/dbraw/zinc/71/39/49/646713949.db2.gz ISRGIGRWUFKNHF-GWKQRERASA-N 1 0 320.408 2.456 10 0 DEAERO CCC[C@H]1CC(=O)N(C[NH+]2CCC(Cn3cccn3)CC2)C1 ZINC000173362703 646768022 /nfs/dbraw/zinc/76/80/22/646768022.db2.gz CCWMMMLAQJXLTL-INIZCTEOSA-N 1 0 304.438 2.201 10 0 DEAERO C[C@@H](CNC(=O)Cn1ncc2ccccc21)[NH+]1CCCCC1 ZINC000730537147 647350385 /nfs/dbraw/zinc/35/03/85/647350385.db2.gz MARYCMVWNNSDRI-AWEZNQCLSA-N 1 0 300.406 2.027 10 0 DEAERO COC(=O)c1ccc2c(cnn2C[N@H+](C)C[C@H]2CCCOC2)c1 ZINC000730807810 647408760 /nfs/dbraw/zinc/40/87/60/647408760.db2.gz YTCRLNWFCAMXET-CYBMUJFWSA-N 1 0 317.389 2.139 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(F)c(C(=O)OC)c2)C1 ZINC000732426464 647579749 /nfs/dbraw/zinc/57/97/49/647579749.db2.gz VFDJWQYTLOFZIY-LLVKDONJSA-N 1 0 323.368 2.076 10 0 DEAERO C[C@H](CNC(=O)c1cc(Cl)nc(N(C)C)c1)[N@H+](C)C1CC1 ZINC000733146854 647892917 /nfs/dbraw/zinc/89/29/17/647892917.db2.gz PQXAFNJERAVOKM-SNVBAGLBSA-N 1 0 310.829 2.014 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc(Cl)nc(Cl)c2)C[C@@H]1[NH+](C)C ZINC000089710336 647969016 /nfs/dbraw/zinc/96/90/16/647969016.db2.gz QOLAOBTZZZNYPR-SCZZXKLOSA-N 1 0 302.205 2.411 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc(Cl)s2)CC1 ZINC000175432765 648347430 /nfs/dbraw/zinc/34/74/30/648347430.db2.gz ZNUUHELPYSCNGH-LLVKDONJSA-N 1 0 317.886 2.321 10 0 DEAERO Cn1c(-c2ccccc2)nn(CN2CC[C@H]([NH+](C)C)C2)c1=S ZINC000170843317 648353983 /nfs/dbraw/zinc/35/39/83/648353983.db2.gz KRGPCGYXNZSCNG-AWEZNQCLSA-N 1 0 317.462 2.211 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NNc2cc[nH+]cc2)cc1 ZINC000180439928 648490429 /nfs/dbraw/zinc/49/04/29/648490429.db2.gz GDIQULSTKLBXIO-XHDPSFHLSA-N 1 0 310.357 2.433 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NNc2cc[nH+]cc2)c1 ZINC000180517560 648497468 /nfs/dbraw/zinc/49/74/68/648497468.db2.gz XRXRHQCEMXPWIW-XHDPSFHLSA-N 1 0 310.357 2.433 10 0 DEAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1cccnc1Cl ZINC000182912147 649007641 /nfs/dbraw/zinc/00/76/41/649007641.db2.gz FBKXMDGYMQOMPU-BXUZGUMPSA-N 1 0 319.792 2.385 10 0 DEAERO CCCCC[C@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000184690951 649348630 /nfs/dbraw/zinc/34/86/30/649348630.db2.gz RYASNAMQGQQDHS-ARFHVFGLSA-N 1 0 313.486 2.442 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc2c(c1)CCC2 ZINC000113229428 651667936 /nfs/dbraw/zinc/66/79/36/651667936.db2.gz ISJIJDZPTYPTLL-WMLDXEAASA-N 1 0 314.429 2.249 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CCn3ccnc32)C1 ZINC000379176398 685390006 /nfs/dbraw/zinc/39/00/06/685390006.db2.gz QRMFBHXDYMCFRN-CHWSQXEVSA-N 1 0 306.410 2.175 10 0 DEAERO C[N@H+](CCNCc1nc(Br)c[nH]1)C1CCCC1 ZINC000383330185 685407655 /nfs/dbraw/zinc/40/76/55/685407655.db2.gz VGCUEWKPIIIOJR-UHFFFAOYSA-N 1 0 301.232 2.136 10 0 DEAERO Cc1nnsc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000384189311 685410091 /nfs/dbraw/zinc/41/00/91/685410091.db2.gz USGVUGHRPIIBLJ-DTWKUNHWSA-N 1 0 300.428 2.238 10 0 DEAERO CN(Cc1cnc(N)cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388450299 685428091 /nfs/dbraw/zinc/42/80/91/685428091.db2.gz VWEOFUSNQAZSCU-KRWDZBQOSA-N 1 0 311.433 2.155 10 0 DEAERO CN(c1cnc(CO)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388943749 685431347 /nfs/dbraw/zinc/43/13/47/685431347.db2.gz XWXRDDYEEBEJSQ-QGZVFWFLSA-N 1 0 312.417 2.070 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000391017304 685443851 /nfs/dbraw/zinc/44/38/51/685443851.db2.gz ZBXMLPCOBRUTCY-CRAIPNDOSA-N 1 0 311.433 2.231 10 0 DEAERO COC(C[NH2+][C@H]1CCOc2ccc(Br)cc21)OC ZINC000037566840 683884017 /nfs/dbraw/zinc/88/40/17/683884017.db2.gz CBOWYCAJLAPUKR-NSHDSACASA-N 1 0 316.195 2.481 10 0 DEAERO COc1cccc(C[NH2+][C@H](C)C(OC)OC)c1OC(F)F ZINC000079585022 683973753 /nfs/dbraw/zinc/97/37/53/683973753.db2.gz ABFYZERLLAYLFD-SECBINFHSA-N 1 0 305.321 2.394 10 0 DEAERO O=C(NCC[NH+]1CCCCC1)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000083018763 683996252 /nfs/dbraw/zinc/99/62/52/683996252.db2.gz OPSPMPPIGYUQDL-IRXDYDNUSA-N 1 0 317.433 2.302 10 0 DEAERO Cc1ccc(CNC(=[NH2+])NCC(C)C)c(OC[C@@H]2CCOC2)c1 ZINC000087001958 684013441 /nfs/dbraw/zinc/01/34/41/684013441.db2.gz HFVMVDKXVANKCA-OAHLLOKOSA-N 1 0 319.449 2.471 10 0 DEAERO C[C@@H](N)c1nc(C(=O)NCC2([NH+](C)C)CCCCC2)cs1 ZINC000090951871 684033716 /nfs/dbraw/zinc/03/37/16/684033716.db2.gz QQULDQNZQDZVDT-LLVKDONJSA-N 1 0 310.467 2.157 10 0 DEAERO CC1(OCC(=O)Nc2ccc(SC(F)F)cc2)C[NH2+]C1 ZINC000098060191 684056492 /nfs/dbraw/zinc/05/64/92/684056492.db2.gz QGCHSPGDMZDASI-UHFFFAOYSA-N 1 0 302.346 2.318 10 0 DEAERO CC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)CC[C@@H]1[NH3+] ZINC000123015244 684121784 /nfs/dbraw/zinc/12/17/84/684121784.db2.gz GBAZDWKXXPFKES-MFKMUULPSA-N 1 0 318.389 2.247 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(C(F)(F)F)n2)C1 ZINC000123502679 684125942 /nfs/dbraw/zinc/12/59/42/684125942.db2.gz NUFKSCBKUPUDHV-VIFPVBQESA-N 1 0 302.300 2.268 10 0 DEAERO CCOC(C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1)OCC ZINC000124029831 684131249 /nfs/dbraw/zinc/13/12/49/684131249.db2.gz RWNOWOVYBBIXNM-AWEZNQCLSA-N 1 0 314.470 2.258 10 0 DEAERO COc1ccc([C@H]([NH2+]C[C@H]2CCCS2(=O)=O)C2CC2)cc1 ZINC000126844859 684157727 /nfs/dbraw/zinc/15/77/27/684157727.db2.gz JOCDWQPGYIVUEW-HZPDHXFCSA-N 1 0 309.431 2.313 10 0 DEAERO C[NH+](C)C1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000127911958 684167111 /nfs/dbraw/zinc/16/71/11/684167111.db2.gz MIBRGLTUOIKFIS-UHFFFAOYSA-N 1 0 302.374 2.025 10 0 DEAERO O=C(NC[C@@H]1CCC[NH2+]C1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000130065573 684184957 /nfs/dbraw/zinc/18/49/57/684184957.db2.gz HSPGAJKFLNPDFW-GFCCVEGCSA-N 1 0 318.808 2.255 10 0 DEAERO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000133345510 684218381 /nfs/dbraw/zinc/21/83/81/684218381.db2.gz WDYABHRSRQLREN-IAGOWNOFSA-N 1 0 308.466 2.023 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(CN2Cc3ccc(OC)cc3C2=O)C1 ZINC000189746570 684388208 /nfs/dbraw/zinc/38/82/08/684388208.db2.gz VEFPNEIAJXMBNI-HNNXBMFYSA-N 1 0 317.433 2.025 10 0 DEAERO Cc1cc(C)cc([C@H](O)CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000189927476 684392643 /nfs/dbraw/zinc/39/26/43/684392643.db2.gz ZEWUUNZBCBDLGK-SJLPKXTDSA-N 1 0 320.477 2.114 10 0 DEAERO Cc1cccc2c1OCC[C@@H]2NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000190607404 684409300 /nfs/dbraw/zinc/40/93/00/684409300.db2.gz RYIYTBMSNSUQEB-HOCLYGCPSA-N 1 0 317.433 2.460 10 0 DEAERO C[C@H]1COCC[C@H]1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192577998 684452657 /nfs/dbraw/zinc/45/26/57/684452657.db2.gz BUYJAORCVWUDOS-USXIJHARSA-N 1 0 303.402 2.477 10 0 DEAERO C[C@H]([NH3+])CCC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000193246048 685035956 /nfs/dbraw/zinc/03/59/56/685035956.db2.gz WHVUGVANJAHREC-YVEFUNNKSA-N 1 0 308.397 2.225 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCc3ccccc32)C1 ZINC000195089834 685086174 /nfs/dbraw/zinc/08/61/74/685086174.db2.gz ZALLULBHQJNPJD-ZBFHGGJFSA-N 1 0 301.434 2.038 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC(C)(O)CC2)C1 ZINC000195172809 685089706 /nfs/dbraw/zinc/08/97/06/685089706.db2.gz KQBNFCGIOOEHCK-INIZCTEOSA-N 1 0 312.454 2.480 10 0 DEAERO NC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000245394276 685110086 /nfs/dbraw/zinc/11/00/86/685110086.db2.gz FHDDZLHFSMVFNE-WFASDCNBSA-N 1 0 310.825 2.351 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000246295089 685127461 /nfs/dbraw/zinc/12/74/61/685127461.db2.gz NOLGKOZCABQVCJ-OAGGEKHMSA-N 1 0 308.397 2.273 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@H]1CSCCS1 ZINC000246857293 685137770 /nfs/dbraw/zinc/13/77/70/685137770.db2.gz VVMMNSVINMVENV-STQMWFEESA-N 1 0 302.509 2.168 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000246918504 685138871 /nfs/dbraw/zinc/13/88/71/685138871.db2.gz YIMOOSXSAPEQFJ-AEFFLSMTSA-N 1 0 314.433 2.341 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@H]1CCCOC1 ZINC000249088691 685174220 /nfs/dbraw/zinc/17/42/20/685174220.db2.gz JWMKUHFXISHZOA-DOTOQJQBSA-N 1 0 304.434 2.440 10 0 DEAERO O[C@H]1CCCC[C@@H]1[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000270621841 685204298 /nfs/dbraw/zinc/20/42/98/685204298.db2.gz OYNCUIKIVZZUGJ-KBPBESRZSA-N 1 0 318.446 2.117 10 0 DEAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)c2cncc(C)c2)C1 ZINC000886094000 692002349 /nfs/dbraw/zinc/00/23/49/692002349.db2.gz NFRXYRJQMAIRGS-ZACQAIPSSA-N 1 0 317.433 2.104 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(C)c1Cl ZINC000932412124 694609239 /nfs/dbraw/zinc/60/92/39/694609239.db2.gz YIKIGDPCPCQMMU-GHMZBOCLSA-N 1 0 311.817 2.164 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCOC(F)F ZINC000398319726 790264488 /nfs/dbraw/zinc/26/44/88/790264488.db2.gz XYSPOHCUWYZQKO-GHMZBOCLSA-N 1 0 308.369 2.461 10 0 DEAERO C[C@H](CNC(=O)N[C@H]1CCO[C@@H]1c1ccccc1)[N@H+](C)C1CC1 ZINC000176329392 782332137 /nfs/dbraw/zinc/33/21/37/782332137.db2.gz DUFWQUHJKHESCY-XOKHGSTOSA-N 1 0 317.433 2.299 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)/C(C)=C/c1ccc(F)cc1 ZINC000176494767 782475054 /nfs/dbraw/zinc/47/50/54/782475054.db2.gz PARUWCLXTIYWCT-VSOYFRJCSA-N 1 0 320.408 2.456 10 0 DEAERO C[C@H](COCc1ccccc1)[NH2+]Cc1cnc2n1CCOC2 ZINC000722838761 776844767 /nfs/dbraw/zinc/84/47/67/776844767.db2.gz YRECDXLCUMXUSC-CQSZACIVSA-N 1 0 301.390 2.108 10 0 DEAERO CC(C)(C[NH2+]Cc1cc(F)c(F)cc1F)CS(C)(=O)=O ZINC000723847847 777186810 /nfs/dbraw/zinc/18/68/10/777186810.db2.gz OJJDGPLGWZGLLM-UHFFFAOYSA-N 1 0 309.353 2.264 10 0 DEAERO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000723902092 777203228 /nfs/dbraw/zinc/20/32/28/777203228.db2.gz MCBXLTFSJXXYOR-VXGBXAGGSA-N 1 0 316.854 2.254 10 0 DEAERO CC[C@@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)[C@@H]1CCCOC1 ZINC000723969539 777211065 /nfs/dbraw/zinc/21/10/65/777211065.db2.gz RLTRGCUPHGWKQS-ZIAGYGMSSA-N 1 0 305.484 2.385 10 0 DEAERO C[C@](O)(C[NH2+]C[C@H](O)c1ccsc1)C(F)(F)C(F)(F)F ZINC000724056611 777232515 /nfs/dbraw/zinc/23/25/15/777232515.db2.gz FPOAHKOQCXYSER-IUCAKERBSA-N 1 0 319.295 2.320 10 0 DEAERO CC(C)(O)[C@H]1CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724060286 777232749 /nfs/dbraw/zinc/23/27/49/777232749.db2.gz UCFBHFPJACCXGS-WCBMZHEXSA-N 1 0 305.287 2.028 10 0 DEAERO CC[C@@H]1C[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)CCCO1 ZINC000724110315 777242515 /nfs/dbraw/zinc/24/25/15/777242515.db2.gz FSJHJZONEPKBLI-ZJUUUORDSA-N 1 0 305.287 2.436 10 0 DEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1nscc1Br ZINC000404843686 777503267 /nfs/dbraw/zinc/50/32/67/777503267.db2.gz COIVMOPRGKMORO-SECBINFHSA-N 1 0 320.256 2.222 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000722253996 778552097 /nfs/dbraw/zinc/55/20/97/778552097.db2.gz PJRRWOJXAYETFJ-BARDWOONSA-N 1 0 311.470 2.314 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000722316110 778603555 /nfs/dbraw/zinc/60/35/55/778603555.db2.gz GVIUGDBEFGSQRI-GJZGRUSLSA-N 1 0 310.438 2.401 10 0 DEAERO Cc1ccc(O)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC000721878093 780520098 /nfs/dbraw/zinc/52/00/98/780520098.db2.gz DBSIUKVZYZLGRP-BXUZGUMPSA-N 1 0 321.421 2.441 10 0 DEAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H](C)Oc1cccnc1 ZINC000186263101 784369378 /nfs/dbraw/zinc/36/93/78/784369378.db2.gz UGLUCLWXBLNTCE-HUUCEWRRSA-N 1 0 305.422 2.230 10 0 DEAERO Cc1ccn2ncc(C(=O)N[C@@H](C)C[NH+]3CCCCCC3)c2n1 ZINC000186301358 784371811 /nfs/dbraw/zinc/37/18/11/784371811.db2.gz GOCMSJXHDYBPEI-AWEZNQCLSA-N 1 0 315.421 2.032 10 0 DEAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Cc1c[nH]c2ncccc12 ZINC000186302871 784372408 /nfs/dbraw/zinc/37/24/08/784372408.db2.gz NMRRCXGGZLKNQG-CQSZACIVSA-N 1 0 314.433 2.486 10 0 DEAERO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Br)c(F)c1 ZINC000712315311 784815229 /nfs/dbraw/zinc/81/52/29/784815229.db2.gz QAZWGURJBMKXSR-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000721849129 787324030 /nfs/dbraw/zinc/32/40/30/787324030.db2.gz OYSOIRVLFJUUII-FAAHXZRKSA-N 1 0 310.438 2.399 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c1C ZINC000722566790 787333579 /nfs/dbraw/zinc/33/35/79/787333579.db2.gz JMYPQTPCGSRCFU-LBPRGKRZSA-N 1 0 302.465 2.094 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@](C)(O)C1CC1 ZINC000722637414 787336582 /nfs/dbraw/zinc/33/65/82/787336582.db2.gz KOPQFSRIJSIZPF-DKSSEZFCSA-N 1 0 316.445 2.032 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@@H](CO)C2CCC2)C1 ZINC000724086041 787349100 /nfs/dbraw/zinc/34/91/00/787349100.db2.gz WUOXCXZKYKDTAQ-SNPRPXQTSA-N 1 0 312.454 2.430 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CC[C@H](O)C(F)F)C1 ZINC000724082474 787349379 /nfs/dbraw/zinc/34/93/79/787349379.db2.gz NQUYDNIKSXOOSH-UTUOFQBUSA-N 1 0 322.396 2.286 10 0 DEAERO CO[C@@H]([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1CC1 ZINC000724105730 787349543 /nfs/dbraw/zinc/34/95/43/787349543.db2.gz QZBDHNXRJWBHGD-UJNFCWOMSA-N 1 0 305.287 2.338 10 0 DEAERO C[C@@H]1CC(C[NH2+]Cc2cc(Br)nn2C)C[C@@H](C)O1 ZINC000724258371 787350836 /nfs/dbraw/zinc/35/08/36/787350836.db2.gz DONVDRFZVOHXEO-NXEZZACHSA-N 1 0 316.243 2.476 10 0 DEAERO COC[C@H](CCO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217852701 789334932 /nfs/dbraw/zinc/33/49/32/789334932.db2.gz QVDVBSYGEIJDMJ-JTQLQIEISA-N 1 0 306.175 2.075 10 0 DEAERO C[C@H]1CCCN(Cc2cn(C)nc2Br)[C@H]1CC[NH3+] ZINC000712435197 792186806 /nfs/dbraw/zinc/18/68/06/792186806.db2.gz LWDXGHUAWUSRDZ-JQWIXIFHSA-N 1 0 315.259 2.132 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNCc2cn(C)nc2Br)C1 ZINC000712442794 792187012 /nfs/dbraw/zinc/18/70/12/792187012.db2.gz ABBNWSDTPWIKNT-LLVKDONJSA-N 1 0 315.259 2.004 10 0 DEAERO C[C@@H](C[NH2+]Cc1cnn(C)c1Cl)N(C)C(=O)OC(C)(C)C ZINC000712417511 792187062 /nfs/dbraw/zinc/18/70/62/792187062.db2.gz VKQSUMPQZPHLGR-JTQLQIEISA-N 1 0 316.833 2.419 10 0 DEAERO C[C@@H]1CCCN(Cc2cn(C)nc2Br)[C@H]1CC[NH3+] ZINC000712435202 792187522 /nfs/dbraw/zinc/18/75/22/792187522.db2.gz LWDXGHUAWUSRDZ-PWSUYJOCSA-N 1 0 315.259 2.132 10 0 DEAERO CCOCC(C)(C)C[NH2+]Cc1cn(C)nc1Br ZINC000712495893 792190592 /nfs/dbraw/zinc/19/05/92/792190592.db2.gz KQPSBFDQLORLOU-UHFFFAOYSA-N 1 0 304.232 2.335 10 0 DEAERO C[C@H](O)CC(C)(C)C[NH2+]Cc1cn(C)nc1Br ZINC000712479102 792190655 /nfs/dbraw/zinc/19/06/55/792190655.db2.gz FWGRQRBMIKQWAX-VIFPVBQESA-N 1 0 304.232 2.069 10 0 DEAERO Cn1cc(C[NH2+]CC2(O)CCCCCC2)c(Br)n1 ZINC000712471713 792190722 /nfs/dbraw/zinc/19/07/22/792190722.db2.gz WDDJEGSGFZWOQQ-UHFFFAOYSA-N 1 0 316.243 2.358 10 0 DEAERO CN1CC[C@@H]1C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000712568410 792200904 /nfs/dbraw/zinc/20/09/04/792200904.db2.gz CXUQBMREBLCDCF-MGPQQGTHSA-N 1 0 309.454 2.116 10 0 DEAERO Cc1nc([C@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c(C)s1 ZINC000714334752 792308756 /nfs/dbraw/zinc/30/87/56/792308756.db2.gz KMGRKKCGCHOXJM-CABZTGNLSA-N 1 0 302.465 2.378 10 0 DEAERO CC(C)C1CC([NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000714629097 792326532 /nfs/dbraw/zinc/32/65/32/792326532.db2.gz CVYBSBCAHNXYHE-MQBCKMQZSA-N 1 0 312.454 2.383 10 0 DEAERO Cc1c(Br)cccc1C(=O)NC12CC[NH+](CC1)C2 ZINC000715499757 792469716 /nfs/dbraw/zinc/46/97/16/792469716.db2.gz BOYGIGOUTKGZHT-UHFFFAOYSA-N 1 0 309.207 2.336 10 0 DEAERO O=C(NCc1sccc1Br)C12CC[NH+](CC1)C2 ZINC000715841851 792513383 /nfs/dbraw/zinc/51/33/83/792513383.db2.gz IAUYVZFWSQCDRS-UHFFFAOYSA-N 1 0 315.236 2.223 10 0 DEAERO O=C(N1CCc2c1cccc2Br)C12CC[NH+](CC1)C2 ZINC000715858584 792528130 /nfs/dbraw/zinc/52/81/30/792528130.db2.gz SSDTXGQITFKNEI-UHFFFAOYSA-N 1 0 321.218 2.434 10 0 DEAERO CC(C)(O)C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000716310825 792951396 /nfs/dbraw/zinc/95/13/96/792951396.db2.gz JNIPFTGJJUVSEF-QGZVFWFLSA-N 1 0 307.434 2.047 10 0 DEAERO C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C1CC[NH2+]CC1 ZINC000716561892 792974740 /nfs/dbraw/zinc/97/47/40/792974740.db2.gz AVBSWHTZSCHVSB-SECBINFHSA-N 1 0 320.817 2.146 10 0 DEAERO COC[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716619995 792979221 /nfs/dbraw/zinc/97/92/21/792979221.db2.gz JYRDRCPQZVGXLK-CADBVGFASA-N 1 0 318.461 2.291 10 0 DEAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1c(Br)c(C)nn1C ZINC000716795387 793006484 /nfs/dbraw/zinc/00/64/84/793006484.db2.gz CKIVVWKPKXJCSA-WPRPVWTQSA-N 1 0 304.232 2.130 10 0 DEAERO C[C@@H]1[C@H]([NH2+]CC[C@@H](O)C(F)F)CCCN1C(=O)OC(C)(C)C ZINC000716765920 793006933 /nfs/dbraw/zinc/00/69/33/793006933.db2.gz QZLZQPOEZDILGJ-IJLUTSLNSA-N 1 0 322.396 2.380 10 0 DEAERO Cc1cccc(C[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 ZINC000171131647 793713072 /nfs/dbraw/zinc/71/30/72/793713072.db2.gz WHVOEKWDSKGKTF-LJQANCHMSA-N 1 0 323.396 2.339 10 0 DEAERO C[C@H](O)[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000717337988 799381498 /nfs/dbraw/zinc/38/14/98/799381498.db2.gz AVQSVWMWVQKVKQ-KBXCAEBGSA-N 1 0 301.386 2.097 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000717725329 799428972 /nfs/dbraw/zinc/42/89/72/799428972.db2.gz XVDHASRVPFJNHO-IJLUTSLNSA-N 1 0 322.396 2.238 10 0 DEAERO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172048311 799457404 /nfs/dbraw/zinc/45/74/04/799457404.db2.gz SJJSCLBUCYIYLV-QTXGHNMQSA-N 1 0 320.477 2.474 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCn2ccnc2)CN(C(=O)OC(C)(C)C)C1 ZINC000401726744 801845793 /nfs/dbraw/zinc/84/57/93/801845793.db2.gz MDZYZROFROPMHM-KGLIPLIRSA-N 1 0 308.426 2.118 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCCCCO)CN(C(=O)OC(C)(C)C)C1 ZINC000401738620 801847760 /nfs/dbraw/zinc/84/77/60/801847760.db2.gz QGRPTYYTMFETLN-UONOGXRCSA-N 1 0 300.443 2.384 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC000401751477 801848137 /nfs/dbraw/zinc/84/81/37/801848137.db2.gz YALPIWYHFJOCFL-GXTWGEPZSA-N 1 0 308.426 2.155 10 0 DEAERO O=C(OCc1ccccc1)N1CC[C@H]([NH2+][C@H]2CCCC[C@H]2O)C1 ZINC000401848554 801854861 /nfs/dbraw/zinc/85/48/61/801854861.db2.gz BVSRFJVLEDRPFP-YESZJQIVSA-N 1 0 318.417 2.291 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCc2cnccn2)CN(C(=O)OC(C)(C)C)C1 ZINC000401861632 801855251 /nfs/dbraw/zinc/85/52/51/801855251.db2.gz YAMMBUDRSWPMLF-UKRRQHHQSA-N 1 0 320.437 2.254 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCc2cnccn2)CN(C(=O)OC(C)(C)C)C1 ZINC000401861633 801855960 /nfs/dbraw/zinc/85/59/60/801855960.db2.gz YAMMBUDRSWPMLF-ZFWWWQNUSA-N 1 0 320.437 2.254 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nccnc1F ZINC000402651888 801898837 /nfs/dbraw/zinc/89/88/37/801898837.db2.gz JXFNHGXIXUGDFU-HIFRSBDPSA-N 1 0 300.381 2.360 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cncnc2)C12CCC2 ZINC000404634135 802026908 /nfs/dbraw/zinc/02/69/08/802026908.db2.gz HKHSFWOURHNZKR-UONOGXRCSA-N 1 0 318.421 2.402 10 0 DEAERO Brc1csnc1-c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000404890268 802035544 /nfs/dbraw/zinc/03/55/44/802035544.db2.gz LBFOMEUEGXRUHV-LURJTMIESA-N 1 0 315.196 2.423 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CO[C@H]1C ZINC000405719951 802077822 /nfs/dbraw/zinc/07/78/22/802077822.db2.gz UDCCHAUTUPBXRD-NUZBWSBOSA-N 1 0 314.223 2.496 10 0 DEAERO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(Br)nc1 ZINC000309928581 802214429 /nfs/dbraw/zinc/21/44/29/802214429.db2.gz WSGBIVJUQPXPNM-SCZZXKLOSA-N 1 0 305.241 2.046 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000725075190 1078800631 /nfs/dbraw/zinc/80/06/31/1078800631.db2.gz JTNTWCNPBNLCFC-CHWSQXEVSA-N 1 0 314.476 2.128 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000061520691 1081658798 /nfs/dbraw/zinc/65/87/98/1081658798.db2.gz BBNAQDSBFOHFFA-UHFFFAOYSA-N 1 0 301.184 2.208 10 0 DEAERO COCC[NH2+]C[C@H](C)N(C)C(=O)c1cc(F)ccc1Cl ZINC000722039305 1084158011 /nfs/dbraw/zinc/15/80/11/1084158011.db2.gz AYYMCIWNGOCTQK-JTQLQIEISA-N 1 0 302.777 2.176 10 0 DEAERO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cnccn1 ZINC000721932295 1084507042 /nfs/dbraw/zinc/50/70/42/1084507042.db2.gz GXUJJJILLIZOKA-MBNYWOFBSA-N 1 0 306.410 2.383 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1ccn(C)n1 ZINC000721042579 1085630444 /nfs/dbraw/zinc/63/04/44/1085630444.db2.gz RIINBGKOUPNICA-ZIAGYGMSSA-N 1 0 322.453 2.403 10 0 DEAERO Cn1cc(C[NH2+]C[C@](C)(O)c2ccccc2)c(Br)n1 ZINC000720688652 1085940150 /nfs/dbraw/zinc/94/01/50/1085940150.db2.gz PPVNSDWFSFFNCB-AWEZNQCLSA-N 1 0 324.222 2.180 10 0 DEAERO COC(=O)c1sc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)nc1Cl ZINC000720813048 1086154097 /nfs/dbraw/zinc/15/40/97/1086154097.db2.gz XIEAJHKFCPODAJ-IUCAKERBSA-N 1 0 315.826 2.256 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1occc1Br ZINC000720829022 1086182780 /nfs/dbraw/zinc/18/27/80/1086182780.db2.gz LFENRQBYFJTQPI-GHMZBOCLSA-N 1 0 313.195 2.351 10 0 DEAERO [NH3+]C[C@H]1CN(CCOCc2ccccc2)C[C@H]1C(F)(F)F ZINC000720844123 1086289261 /nfs/dbraw/zinc/28/92/61/1086289261.db2.gz IBTSFAOYKRAANH-UONOGXRCSA-N 1 0 302.340 2.272 10 0 DEAERO O=C(c1ccnc(Br)c1)N1CCC([NH+]2CCC2)CC1 ZINC000700381175 1086315230 /nfs/dbraw/zinc/31/52/30/1086315230.db2.gz QCZNSUVHWLEWKV-UHFFFAOYSA-N 1 0 324.222 2.154 10 0 DEAERO COC[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)C1CC1 ZINC000701931209 1086395483 /nfs/dbraw/zinc/39/54/83/1086395483.db2.gz MOPGQVXUJBCCOV-TVIZTDCDSA-N 1 0 310.438 2.401 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(C(=O)c3coc(Br)c3)C[C@]2(C)C1 ZINC000702438511 1086433599 /nfs/dbraw/zinc/43/35/99/1086433599.db2.gz POVOZIGKISVJEC-MFKMUULPSA-N 1 0 313.195 2.066 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@@H]2CNOC2)cc1Br ZINC000703361584 1086495517 /nfs/dbraw/zinc/49/55/17/1086495517.db2.gz BUJIEEWSQUQWRX-WCBMZHEXSA-N 1 0 301.184 2.012 10 0 DEAERO [NH3+][C@@H]1CN(Cc2cncc(Br)c2)C[C@H]1C(F)(F)F ZINC000720902376 1086525915 /nfs/dbraw/zinc/52/59/15/1086525915.db2.gz BEBJHMFDLPNLJA-NXEZZACHSA-N 1 0 324.144 2.166 10 0 DEAERO [NH3+][C@@H]1CN(Cc2ccc(Br)cn2)C[C@H]1C(F)(F)F ZINC000720912491 1086543994 /nfs/dbraw/zinc/54/39/94/1086543994.db2.gz QORNCBFQYFAYST-NXEZZACHSA-N 1 0 324.144 2.166 10 0 DEAERO CCS(=O)(=O)CC[NH2+]Cc1ccsc1C(F)(F)F ZINC000704343723 1086577733 /nfs/dbraw/zinc/57/77/33/1086577733.db2.gz JNYCSSKEVUKSNF-UHFFFAOYSA-N 1 0 301.355 2.291 10 0 DEAERO CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccncc2)CCOCC1 ZINC000705622644 1086619065 /nfs/dbraw/zinc/61/90/65/1086619065.db2.gz GJMXRFHNBBLTQE-UHFFFAOYSA-N 1 0 321.421 2.245 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)[C@@H](C)O1 ZINC000705880532 1086625306 /nfs/dbraw/zinc/62/53/06/1086625306.db2.gz FQMWQHMYYHBPQF-MCIONIFRSA-N 1 0 316.442 2.025 10 0 DEAERO Cc1ccc(C[NH2+]CCOCCN(C)C(=O)OC(C)(C)C)cn1 ZINC000705930433 1086626579 /nfs/dbraw/zinc/62/65/79/1086626579.db2.gz ZCLHREPAESYUEU-UHFFFAOYSA-N 1 0 323.437 2.363 10 0 DEAERO CN(CCOCC[NH2+]Cc1cccnc1)C(=O)OC(C)(C)C ZINC000705911766 1086627655 /nfs/dbraw/zinc/62/76/55/1086627655.db2.gz YEBVPLABNSVJFX-UHFFFAOYSA-N 1 0 309.410 2.055 10 0 DEAERO Cc1cnccc1C[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000705899123 1086627977 /nfs/dbraw/zinc/62/79/77/1086627977.db2.gz WALMXMYICUJJHO-UHFFFAOYSA-N 1 0 323.437 2.363 10 0 DEAERO CN(CCOCC[NH2+][C@@H]1CCOC1(C)C)C(=O)OC(C)(C)C ZINC000705914325 1086629003 /nfs/dbraw/zinc/62/90/03/1086629003.db2.gz ZMQJXXBEMIVECC-CYBMUJFWSA-N 1 0 316.442 2.027 10 0 DEAERO Cc1ccc(C[NH2+]C(C)(C)CNS(C)(=O)=O)c(Cl)c1 ZINC000708309096 1086678202 /nfs/dbraw/zinc/67/82/02/1086678202.db2.gz WGVZTEJBTVZOPZ-UHFFFAOYSA-N 1 0 304.843 2.066 10 0 DEAERO [NH3+][C@H]1CCCCCN(C(=O)c2coc(Br)c2)C1 ZINC000709052305 1086680162 /nfs/dbraw/zinc/68/01/62/1086680162.db2.gz FBGJPQGBBDGDOK-JTQLQIEISA-N 1 0 301.184 2.386 10 0 DEAERO Brc1cnccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709847551 1086684475 /nfs/dbraw/zinc/68/44/75/1086684475.db2.gz AWCGKCZRBOEYIW-CQSZACIVSA-N 1 0 310.239 2.420 10 0 DEAERO O[C@H](C[NH2+]CCc1ccns1)COc1ccc(Cl)cc1 ZINC000709882222 1086685570 /nfs/dbraw/zinc/68/55/70/1086685570.db2.gz SEMMHVYVDBQOGY-GFCCVEGCSA-N 1 0 312.822 2.369 10 0 DEAERO C[C@@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000710836091 1086689456 /nfs/dbraw/zinc/68/94/56/1086689456.db2.gz IKGPSIFSUJTHTD-AWEZNQCLSA-N 1 0 311.470 2.317 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C(C)(C)CN2CCCC2)C1 ZINC000710881867 1086690848 /nfs/dbraw/zinc/69/08/48/1086690848.db2.gz HJQQNDZOQZJLRD-UHFFFAOYSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H]([NH2+]CCCCF)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711082581 1086693624 /nfs/dbraw/zinc/69/36/24/1086693624.db2.gz QVVQDWLAFGHKEP-QWHCGFSZSA-N 1 0 304.406 2.350 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000711310575 1087050999 /nfs/dbraw/zinc/05/09/99/1087050999.db2.gz CBCDMWHJUCJFTJ-QGZVFWFLSA-N 1 0 316.445 2.440 10 0 DEAERO Cc1coc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000718134424 1088270242 /nfs/dbraw/zinc/27/02/42/1088270242.db2.gz YGAGXGBZIJCRRT-AWEZNQCLSA-N 1 0 310.394 2.314 10 0 DEAERO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)[C@H](c1ccccc1)N(C)C ZINC000606444844 1088605115 /nfs/dbraw/zinc/60/51/15/1088605115.db2.gz HTVPELCZIKEKEK-RHSMWYFYSA-N 1 0 324.490 2.092 10 0 DEAERO CN(Cc1ccccc1Cl)C(=O)Cc1csc(C[NH3+])n1 ZINC000719045149 1088786792 /nfs/dbraw/zinc/78/67/92/1088786792.db2.gz REIHAYSPBVWMGZ-UHFFFAOYSA-N 1 0 309.822 2.456 10 0 DEAERO Cc1nc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)sc1Br ZINC000719241431 1088913244 /nfs/dbraw/zinc/91/32/44/1088913244.db2.gz RIWIADRLYFRNCL-OCAPTIKFSA-N 1 0 304.257 2.396 10 0 DEAERO Cc1nc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)sc1Br ZINC000719272564 1088916766 /nfs/dbraw/zinc/91/67/66/1088916766.db2.gz DOQWXKCDRRXFDX-JGVFFNPUSA-N 1 0 305.241 2.463 10 0 DEAERO Cc1nc(C[NH2+][C@@H]2CCCN(C)C2)sc1Br ZINC000719304557 1088941443 /nfs/dbraw/zinc/94/14/43/1088941443.db2.gz HJAHOXRLTOGZFF-SECBINFHSA-N 1 0 304.257 2.398 10 0 DEAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CCN1C ZINC000719577830 1089309558 /nfs/dbraw/zinc/30/95/58/1089309558.db2.gz DGHOZQJWALICOU-KFWWJZLASA-N 1 0 311.470 2.458 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CCN1C ZINC000719583449 1089314133 /nfs/dbraw/zinc/31/41/33/1089314133.db2.gz PYCCGMDXKWFILU-HIFRSBDPSA-N 1 0 311.470 2.316 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000278250033 214047288 /nfs/dbraw/zinc/04/72/88/214047288.db2.gz BWFBMGOPMYPALM-SUMWQHHRSA-N 1 0 317.433 2.082 10 0 DEAERO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171635598 282082613 /nfs/dbraw/zinc/08/26/13/282082613.db2.gz SILMJPLGCOQMGP-AWEZNQCLSA-N 1 0 308.389 2.367 10 0 DEAERO COc1ccc([C@H]([NH3+])CSc2nnc(N(C)C)s2)cc1 ZINC000081769381 192323314 /nfs/dbraw/zinc/32/33/14/192323314.db2.gz JRTCQAHCWWTOPY-LLVKDONJSA-N 1 0 310.448 2.405 10 0 DEAERO C[NH2+][C@H](CSCC(=O)OC)c1ccc2c(c1)OCCCO2 ZINC000081792116 192324211 /nfs/dbraw/zinc/32/42/11/192324211.db2.gz FNUKEVUBFWISGP-GFCCVEGCSA-N 1 0 311.403 2.015 10 0 DEAERO CCC[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000150887582 282107204 /nfs/dbraw/zinc/10/72/04/282107204.db2.gz ILXSAYIESJIPJD-HZPDHXFCSA-N 1 0 311.470 2.319 10 0 DEAERO C[NH2+][C@H](CSc1ncccn1)c1ccc2c(c1)OCCO2 ZINC000081871683 192332894 /nfs/dbraw/zinc/33/28/94/192332894.db2.gz CVHNLXMYZRZAKD-GFCCVEGCSA-N 1 0 303.387 2.301 10 0 DEAERO CCC[NH2+][C@H]1c2ccccc2OC[C@H]1Sc1nncn1C ZINC000081866888 192333074 /nfs/dbraw/zinc/33/30/74/192333074.db2.gz PVFZBLKJYUOFKE-KGLIPLIRSA-N 1 0 304.419 2.409 10 0 DEAERO C[NH2+][C@@H]1CCC2(C[C@H]1Sc1nc(C)cc(C)n1)OCCO2 ZINC000081878180 192333092 /nfs/dbraw/zinc/33/30/92/192333092.db2.gz SDEBYDSDHGUJJD-CHWSQXEVSA-N 1 0 309.435 2.069 10 0 DEAERO C[NH2+][C@H]1c2ccccc2CC[C@@H]1Sc1nnnn1C1CC1 ZINC000081867647 192333604 /nfs/dbraw/zinc/33/36/04/192333604.db2.gz HBDJBVSLZCDKAA-KBPBESRZSA-N 1 0 301.419 2.376 10 0 DEAERO COc1ccc(C[NH3+])cc1CSc1nnc2ccccn21 ZINC000081880913 192334323 /nfs/dbraw/zinc/33/43/23/192334323.db2.gz NHFOLYVTUHUOSA-UHFFFAOYSA-N 1 0 300.387 2.489 10 0 DEAERO CCC(C)(C)[C@H]1CC[C@H]([NH2+]C)[C@H](Sc2n[nH]c(=O)n2C)C1 ZINC000081880618 192334432 /nfs/dbraw/zinc/33/44/32/192334432.db2.gz NWOKJKLZROGCRT-SDDRHHMPSA-N 1 0 312.483 2.393 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1Sc1cnn(C)c1)OCCO2 ZINC000081893361 192334473 /nfs/dbraw/zinc/33/44/73/192334473.db2.gz WWGCZYBSZCEYGW-KBPBESRZSA-N 1 0 311.451 2.176 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1Sc1cnccn1)OCCO2 ZINC000081885705 192334498 /nfs/dbraw/zinc/33/44/98/192334498.db2.gz FFRHQGULVYSNPU-CHWSQXEVSA-N 1 0 309.435 2.233 10 0 DEAERO C[NH2+][C@@H]1CCOC[C@@H]1Sc1ccc(Br)cn1 ZINC000081894865 192334560 /nfs/dbraw/zinc/33/45/60/192334560.db2.gz RGVGKMSPKWZNIN-ZJUUUORDSA-N 1 0 303.225 2.313 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1cc(C)ccc1C ZINC000081922259 192338687 /nfs/dbraw/zinc/33/86/87/192338687.db2.gz RGSIAGDBFVJNAV-GOEBONIOSA-N 1 0 311.447 2.234 10 0 DEAERO COc1ccc(C[NH3+])cc1CS(=O)(=O)c1ccc(C)cc1 ZINC000081920726 192338788 /nfs/dbraw/zinc/33/87/88/192338788.db2.gz PJCFEBVCHZSKLT-UHFFFAOYSA-N 1 0 305.399 2.436 10 0 DEAERO CC[NH2+][C@H](C)CCc1c(Br)cnn1CCOC ZINC000163095215 197611272 /nfs/dbraw/zinc/61/12/72/197611272.db2.gz OTTMTCMYPIPQBJ-SNVBAGLBSA-N 1 0 304.232 2.223 10 0 DEAERO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1N1CCOC[C@@H]1CO ZINC000163185279 197615906 /nfs/dbraw/zinc/61/59/06/197615906.db2.gz YJCOZAMOGVLABL-AWEZNQCLSA-N 1 0 312.841 2.426 10 0 DEAERO c1ccc(N2C[C@H]3C[NH+](CCOC4CCOCC4)C[C@@H]3C2)cc1 ZINC000625094881 365641344 /nfs/dbraw/zinc/64/13/44/365641344.db2.gz BCULYQGFKBYCFY-IAGOWNOFSA-N 1 0 316.445 2.250 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCCCO1 ZINC000087159802 282130584 /nfs/dbraw/zinc/13/05/84/282130584.db2.gz OUBIBHDXYXHJBL-DLBZAZTESA-N 1 0 304.434 2.235 10 0 DEAERO CC[NH2+]Cc1cccc(CS(=O)(=O)N2CC[C@@H](CC)C2)c1 ZINC000163594686 197640669 /nfs/dbraw/zinc/64/06/69/197640669.db2.gz OOZJBEMYFPITTP-CQSZACIVSA-N 1 0 310.463 2.358 10 0 DEAERO C[NH2+][C@@H](C)[C@H](C)S(=O)(=O)c1ccc(Br)cc1 ZINC000081933459 192341478 /nfs/dbraw/zinc/34/14/78/192341478.db2.gz QMWDEENYHGCFGF-IUCAKERBSA-N 1 0 306.225 2.219 10 0 DEAERO [NH3+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1Br ZINC000081931999 192341917 /nfs/dbraw/zinc/34/19/17/192341917.db2.gz MBIBISLNBXKBIZ-JQWIXIFHSA-N 1 0 318.236 2.493 10 0 DEAERO CCC[C@@H](CS(=O)(=O)c1ccc2c(c1)OCCO2)[NH2+]CC ZINC000081935417 192342360 /nfs/dbraw/zinc/34/23/60/192342360.db2.gz XZLAZMLXCULLDT-LBPRGKRZSA-N 1 0 313.419 2.010 10 0 DEAERO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)CCO2 ZINC000152387303 282143492 /nfs/dbraw/zinc/14/34/92/282143492.db2.gz LUAJGWNRDNFAJY-DOMZBBRYSA-N 1 0 304.390 2.119 10 0 DEAERO [NH3+][C@@H]([C@@H](CO)Sc1ccc(Br)cn1)C1CC1 ZINC000164661599 197660471 /nfs/dbraw/zinc/66/04/71/197660471.db2.gz LAEGPEGTAXCJJD-MWLCHTKSSA-N 1 0 303.225 2.034 10 0 DEAERO COc1cccc([C@H]2CN(C(C)C)C(=O)C23CC[NH2+]CC3)c1 ZINC000079026797 185147187 /nfs/dbraw/zinc/14/71/87/185147187.db2.gz QEGFGJSYMPECJB-MRXNPFEDSA-N 1 0 302.418 2.399 10 0 DEAERO CCC[C@H]1CCC[N@H+](CCC(=O)N(C)CCC(N)=S)CC1 ZINC000079342435 185165957 /nfs/dbraw/zinc/16/59/57/185165957.db2.gz ZSDMYTKLCYEWDQ-AWEZNQCLSA-N 1 0 313.511 2.413 10 0 DEAERO CN(Cc1ccc(Cl)nc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079457649 185172470 /nfs/dbraw/zinc/17/24/70/185172470.db2.gz ZFIHTYPDZRHCDE-CYBMUJFWSA-N 1 0 322.840 2.361 10 0 DEAERO CS(=O)(=O)c1ccc(-c2nc3ccc(C[NH3+])cc3[nH]2)cc1 ZINC000096874654 185389965 /nfs/dbraw/zinc/38/99/65/185389965.db2.gz AOSSNYOUCMSMTE-UHFFFAOYSA-N 1 0 301.371 2.092 10 0 DEAERO Cc1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000082348093 185176786 /nfs/dbraw/zinc/17/67/86/185176786.db2.gz MQABOAYRTUXQTE-UHFFFAOYSA-N 1 0 315.461 2.155 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1cc(Br)cs1 ZINC000082922083 185209457 /nfs/dbraw/zinc/20/94/57/185209457.db2.gz YELNDWNEOKFRLM-NXEZZACHSA-N 1 0 303.225 2.254 10 0 DEAERO [NH3+]C[C@](O)(CSc1ncccc1Br)C1CC1 ZINC000082917601 185209637 /nfs/dbraw/zinc/20/96/37/185209637.db2.gz IPEGBEVQCHJUNB-NSHDSACASA-N 1 0 303.225 2.036 10 0 DEAERO C[C@@H](CCCO)N[C@H](C[NH3+])c1ccc(Br)s1 ZINC000087359077 185222621 /nfs/dbraw/zinc/22/26/21/185222621.db2.gz QHXZNZJRJOIJFA-DTWKUNHWSA-N 1 0 307.257 2.261 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)C1=Cc2cc(OC)ccc2OC1 ZINC000087356536 185222652 /nfs/dbraw/zinc/22/26/52/185222652.db2.gz PEEOQJIJSLGJDA-CYBMUJFWSA-N 1 0 318.417 2.318 10 0 DEAERO CCC[C@@H](C[NH3+])NC(=O)c1cc(OC)ccc1Br ZINC000087387101 185223333 /nfs/dbraw/zinc/22/33/33/185223333.db2.gz XYSBFOBTCKKFDR-VIFPVBQESA-N 1 0 315.211 2.315 10 0 DEAERO CCC[C@H](C[NH3+])NC(=O)c1cc(F)ccc1Br ZINC000087387615 185223414 /nfs/dbraw/zinc/22/34/14/185223414.db2.gz DUKAYRUTJXIBDZ-SECBINFHSA-N 1 0 303.175 2.445 10 0 DEAERO CC(C)[C@H](C[NH3+])Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000087405622 185224105 /nfs/dbraw/zinc/22/41/05/185224105.db2.gz CNGYWHQAKRIZKF-NSHDSACASA-N 1 0 310.341 2.375 10 0 DEAERO CCC[C@@H](C[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000087406180 185224198 /nfs/dbraw/zinc/22/41/98/185224198.db2.gz QEDKIKMHOVRSOF-VIFPVBQESA-N 1 0 311.179 2.173 10 0 DEAERO CC(C)n1c(Sc2ccc(Cl)cc2CC[NH3+])n[nH]c1=O ZINC000165501381 197677101 /nfs/dbraw/zinc/67/71/01/197677101.db2.gz LZMMGPYQHKCXHB-UHFFFAOYSA-N 1 0 312.826 2.458 10 0 DEAERO CCC[C@@H](C[NH3+])N1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000087639724 185229861 /nfs/dbraw/zinc/22/98/61/185229861.db2.gz NYSXRGUEBSMIMC-LBPRGKRZSA-N 1 0 311.499 2.085 10 0 DEAERO CC1(C)CCCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)CC1 ZINC000087657299 185229933 /nfs/dbraw/zinc/22/99/33/185229933.db2.gz LYGGQKFMOMQLMH-UHFFFAOYSA-N 1 0 310.463 2.487 10 0 DEAERO NNc1cc(Oc2ccc(Br)c(F)c2)nc(N)[nH+]1 ZINC000087890947 185234660 /nfs/dbraw/zinc/23/46/60/185234660.db2.gz OVVVVEQLEVGAOK-UHFFFAOYSA-N 1 0 314.118 2.038 10 0 DEAERO CN(c1nc(NN)[nH+]cc1Br)C1CCCCC1 ZINC000087897064 185235575 /nfs/dbraw/zinc/23/55/75/185235575.db2.gz NRSKHLURVWXMDA-UHFFFAOYSA-N 1 0 300.204 2.294 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@@]1(C[NH3+])Nc1cccc(Cl)c1 ZINC000087913635 185237220 /nfs/dbraw/zinc/23/72/20/185237220.db2.gz QFVUFGOXGZMESE-STQMWFEESA-N 1 0 302.827 2.047 10 0 DEAERO CC[NH2+]C[C@H]1CC[C@@H]1n1cc(I)cn1 ZINC000087923944 185237736 /nfs/dbraw/zinc/23/77/36/185237736.db2.gz HRJBEUYGZPIDBL-SCZZXKLOSA-N 1 0 305.163 2.048 10 0 DEAERO COCCN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1ccc(Cl)cc1F ZINC000165614986 197678342 /nfs/dbraw/zinc/67/83/42/197678342.db2.gz QNQQNZMNTPPCAW-OCCSQVGLSA-N 1 0 300.761 2.116 10 0 DEAERO CCNC(=O)[C@@H](C)n1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837107 185232960 /nfs/dbraw/zinc/23/29/60/185232960.db2.gz RWJUBCMGTGORID-SSDOTTSWSA-N 1 0 311.183 2.078 10 0 DEAERO C[NH2+][C@H](Cc1cc(F)ccc1Br)[C@@H]1COCCO1 ZINC000087857827 185233745 /nfs/dbraw/zinc/23/37/45/185233745.db2.gz LYACJXPPDOIBPQ-OLZOCXBDSA-N 1 0 318.186 2.134 10 0 DEAERO CC[NH2+][C@H](Cc1cccc(Br)c1)[C@H]1COCCO1 ZINC000087857869 185233818 /nfs/dbraw/zinc/23/38/18/185233818.db2.gz VZIBXPFZYZSIAA-ZIAGYGMSSA-N 1 0 314.223 2.385 10 0 DEAERO CC(C)[C@@H](NC(=O)CN1CC[NH2+]CC1(C)C)c1cccs1 ZINC000088146869 185240683 /nfs/dbraw/zinc/24/06/83/185240683.db2.gz VBOOSQUMZXKMQL-OAHLLOKOSA-N 1 0 309.479 2.245 10 0 DEAERO C[N@@H+]1CCCC[C@H]1COc1nc2c(cc1C(N)=S)CCC2 ZINC000088165698 185241066 /nfs/dbraw/zinc/24/10/66/185241066.db2.gz VJFHJCGQOJNUOA-LBPRGKRZSA-N 1 0 305.447 2.068 10 0 DEAERO c1ncn(C[C@H]2CCC[N@H+](Cc3nc4cccnc4s3)C2)n1 ZINC000328898096 231380152 /nfs/dbraw/zinc/38/01/52/231380152.db2.gz WMYSFQTWDPIQNT-LBPRGKRZSA-N 1 0 314.418 2.195 10 0 DEAERO O=C1CC[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@@H](C2CC2)N1 ZINC000328907563 231382248 /nfs/dbraw/zinc/38/22/48/231382248.db2.gz LQFOERLSZQXNPT-KBXCAEBGSA-N 1 0 316.401 2.487 10 0 DEAERO C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Br)C1=O ZINC000088123183 185240156 /nfs/dbraw/zinc/24/01/56/185240156.db2.gz HQWIZDSNQOLKDF-SECBINFHSA-N 1 0 303.587 2.427 10 0 DEAERO CSCC[C@H]([NH3+])C(=O)Nc1c2nsnc2ccc1Cl ZINC000088126325 185240467 /nfs/dbraw/zinc/24/04/67/185240467.db2.gz BYVLNEQMAQLGKK-ZETCQYMHSA-N 1 0 316.839 2.364 10 0 DEAERO CCOC(=O)CN(CC(C)C)C(=O)C[C@H](C[NH3+])CC(C)C ZINC000088277256 185244732 /nfs/dbraw/zinc/24/47/32/185244732.db2.gz LCGTWPRAXAOKNR-CQSZACIVSA-N 1 0 300.443 2.045 10 0 DEAERO CC[C@@H](C[NH3+])S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000088474008 185252250 /nfs/dbraw/zinc/25/22/50/185252250.db2.gz XIHWXOFIOOYNED-QMMMGPOBSA-N 1 0 314.304 2.324 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)cc1 ZINC000088419209 185249440 /nfs/dbraw/zinc/24/94/40/185249440.db2.gz FZBHQNADVJKFBL-UHFFFAOYSA-N 1 0 322.352 2.108 10 0 DEAERO COC(=O)[C@@](C)(CCC[N@H+](C)CCC(F)(F)F)NC1CC1 ZINC000088434661 185250092 /nfs/dbraw/zinc/25/00/92/185250092.db2.gz BTFCHJXKJPAHJO-CYBMUJFWSA-N 1 0 310.360 2.335 10 0 DEAERO CCOC(=O)[C@](C)(CC[NH+]1CCC(C(F)(F)F)CC1)NC ZINC000088435578 185250601 /nfs/dbraw/zinc/25/06/01/185250601.db2.gz PWBQPYGVZHPVSN-ZDUSSCGKSA-N 1 0 310.360 2.192 10 0 DEAERO NNc1[nH+]cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000088438632 185250669 /nfs/dbraw/zinc/25/06/69/185250669.db2.gz HWRQPKNRUHDROY-QMMMGPOBSA-N 1 0 322.718 2.435 10 0 DEAERO [NH3+]C1(CC(=O)Nc2cnc(Br)cn2)CCCCC1 ZINC000088446424 185251164 /nfs/dbraw/zinc/25/11/64/185251164.db2.gz IMBUFCNBVHTWMC-UHFFFAOYSA-N 1 0 313.199 2.229 10 0 DEAERO CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)NC)o2)[C@@H]1C ZINC000088540953 185255890 /nfs/dbraw/zinc/25/58/90/185255890.db2.gz VUTVXQLRYLQYBY-NQBHXWOUSA-N 1 0 300.424 2.102 10 0 DEAERO Cc1ccccc1S(=O)(=O)N(C)Cc1cccc(C[NH3+])c1 ZINC000088714805 185262850 /nfs/dbraw/zinc/26/28/50/185262850.db2.gz AQJGKAWSUPQVQG-UHFFFAOYSA-N 1 0 304.415 2.274 10 0 DEAERO Cn1ncnc1COc1c(Cl)cc(Cl)cc1CC[NH3+] ZINC000088582610 185258452 /nfs/dbraw/zinc/25/84/52/185258452.db2.gz JZYSDZQVNZSHDJ-UHFFFAOYSA-N 1 0 301.177 2.202 10 0 DEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2sc3ccc(F)cc3c2N)C1 ZINC000088641146 185260775 /nfs/dbraw/zinc/26/07/75/185260775.db2.gz QUJXXKOTYUBUKM-SNVBAGLBSA-N 1 0 307.394 2.447 10 0 DEAERO CC[NH+](CC)CCSCC(=O)Nc1cc(N)ccc1OC ZINC000088734073 185263605 /nfs/dbraw/zinc/26/36/05/185263605.db2.gz ZUTQIHXMJHDIAH-UHFFFAOYSA-N 1 0 311.451 2.291 10 0 DEAERO COc1ccc(C[NH3+])cc1CS(=O)(=O)c1ccccc1C ZINC000081978111 192349368 /nfs/dbraw/zinc/34/93/68/192349368.db2.gz VGPJCYLBZYCGKG-UHFFFAOYSA-N 1 0 305.399 2.436 10 0 DEAERO NC(=O)c1cc(NC(=O)C2(C[NH3+])CCCCC2)ccc1Cl ZINC000165823092 197682790 /nfs/dbraw/zinc/68/27/90/197682790.db2.gz NNLLPXBHFYYTJH-UHFFFAOYSA-N 1 0 309.797 2.287 10 0 DEAERO Cc1cc(C)c(C(=O)NCCCC[NH+]2CCOCC2)c(C)c1 ZINC000090201904 185286665 /nfs/dbraw/zinc/28/66/65/185286665.db2.gz NQSKVXMRAJCJRQ-UHFFFAOYSA-N 1 0 304.434 2.454 10 0 DEAERO OC[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccnc1 ZINC000329474781 231539505 /nfs/dbraw/zinc/53/95/05/231539505.db2.gz OVNHICVIBMRJKR-VVLHAWIVSA-N 1 0 302.418 2.095 10 0 DEAERO C[C@H](c1ccccc1Br)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306492 185290299 /nfs/dbraw/zinc/29/02/99/185290299.db2.gz RYVMXVROZQNIDT-GFCCVEGCSA-N 1 0 324.266 2.100 10 0 DEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000090311587 185290466 /nfs/dbraw/zinc/29/04/66/185290466.db2.gz FSTZEZZNKAGDLT-SCRDCRAPSA-N 1 0 317.216 2.157 10 0 DEAERO COc1cc(Cl)ccc1C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090336100 185291511 /nfs/dbraw/zinc/29/15/11/185291511.db2.gz VNIUAXXUNCBHPB-MFKMUULPSA-N 1 0 308.809 2.419 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1Cc1noc(-c2cccs2)n1 ZINC000090337245 185291861 /nfs/dbraw/zinc/29/18/61/185291861.db2.gz ZXMBHSHTOBCYRI-QWRGUYRKSA-N 1 0 304.419 2.228 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000090423186 185295375 /nfs/dbraw/zinc/29/53/75/185295375.db2.gz NWEXMCLCTRTLLO-MNOVXSKESA-N 1 0 324.178 2.201 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000090423229 185295482 /nfs/dbraw/zinc/29/54/82/185295482.db2.gz DVNRYDISQNTSBQ-MNOVXSKESA-N 1 0 324.178 2.201 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1CN(C)Cc1ccccc1Br ZINC000090438780 185296581 /nfs/dbraw/zinc/29/65/81/185296581.db2.gz HDSVWQMJSWERLD-OCCSQVGLSA-N 1 0 313.239 2.115 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(CC(C)C)CC(F)(F)F ZINC000090542021 185301785 /nfs/dbraw/zinc/30/17/85/185301785.db2.gz GOHXJOGHCGGMFM-NEPJUHHUSA-N 1 0 310.360 2.048 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000090541151 185301967 /nfs/dbraw/zinc/30/19/67/185301967.db2.gz SPLNQZQLHNBNBH-ZWNOBZJWSA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(F)c(F)cc1F ZINC000090544843 185302037 /nfs/dbraw/zinc/30/20/37/185302037.db2.gz COLSQPYFAOHXDV-OQPBUACISA-N 1 0 302.296 2.057 10 0 DEAERO COc1cccc(C(=O)N2CCCSC[C@H]2C[NH+](C)C)c1 ZINC000090699818 185310624 /nfs/dbraw/zinc/31/06/24/185310624.db2.gz IOOJIFRDORGOQZ-CQSZACIVSA-N 1 0 308.447 2.205 10 0 DEAERO O=C1c2ccc(Br)cc2C(=O)N1CC[C@@H]1CCC[NH2+]1 ZINC000166929737 197701131 /nfs/dbraw/zinc/70/11/31/197701131.db2.gz JMJISHISERLAMT-JTQLQIEISA-N 1 0 323.190 2.187 10 0 DEAERO O=S(=O)(CCSCC1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000090712011 185311113 /nfs/dbraw/zinc/31/11/13/185311113.db2.gz UIFNVGFZLDBGCL-UHFFFAOYSA-N 1 0 305.852 2.066 10 0 DEAERO CCC[C@@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)CC(=O)OC(C)(C)C)C1 ZINC000166864166 197699455 /nfs/dbraw/zinc/69/94/55/197699455.db2.gz MBNYKRQAXSLSDF-FRRDWIJNSA-N 1 0 319.467 2.039 10 0 DEAERO Cc1nn(C)c(Cl)c1CN1Cc2ccccc2C[C@H]1C[NH3+] ZINC000166855043 197699714 /nfs/dbraw/zinc/69/97/14/197699714.db2.gz GDLHROZDUFMFIH-AWEZNQCLSA-N 1 0 304.825 2.268 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)CCC2 ZINC000092384055 185315109 /nfs/dbraw/zinc/31/51/09/185315109.db2.gz ZBYPNIFRJWBIJJ-CZUORRHYSA-N 1 0 309.431 2.239 10 0 DEAERO CC(C)[C@@H](CO)[NH2+]C[C@H]1Cc2cc(Br)ccc2O1 ZINC000092400483 185315787 /nfs/dbraw/zinc/31/57/87/185315787.db2.gz GADQDJAYDGDEIV-CHWSQXEVSA-N 1 0 314.223 2.359 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)n1cnc(C(=O)OC)n1 ZINC000167339441 197706677 /nfs/dbraw/zinc/70/66/77/197706677.db2.gz DWVBGSGNOOHICE-NEPJUHHUSA-N 1 0 308.769 2.045 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1)[NH+](C)C ZINC000092425141 185317650 /nfs/dbraw/zinc/31/76/50/185317650.db2.gz AKVYSSIYKIAYPZ-OAHLLOKOSA-N 1 0 305.422 2.366 10 0 DEAERO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)c1ccsc1 ZINC000262036133 282248829 /nfs/dbraw/zinc/24/88/29/282248829.db2.gz XZXPRSJQZINOFN-YLFCFFPRSA-N 1 0 323.506 2.098 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ncc(Br)cc1N ZINC000092624253 185329880 /nfs/dbraw/zinc/32/98/80/185329880.db2.gz HTERWSMXVXKKSV-NSHDSACASA-N 1 0 313.243 2.347 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1c1cc2c(cc1Cl)C(=O)C(=O)N2 ZINC000092772617 185339908 /nfs/dbraw/zinc/33/99/08/185339908.db2.gz RSVORXBEFRBSPP-VIFPVBQESA-N 1 0 307.781 2.005 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)NC2C(C)(C)C2(C)C)s1 ZINC000092833298 185344880 /nfs/dbraw/zinc/34/48/80/185344880.db2.gz NAGDTZLWOXDODL-UHFFFAOYSA-N 1 0 316.492 2.223 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](S(=O)(=O)C1CCCCC1)C2 ZINC000092859259 185346959 /nfs/dbraw/zinc/34/69/59/185346959.db2.gz ONDDXXVOFYJATO-HOTGVXAUSA-N 1 0 309.431 2.367 10 0 DEAERO CC[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1Sc1n[nH]c(C)n1 ZINC000092860892 185347206 /nfs/dbraw/zinc/34/72/06/185347206.db2.gz HGJVWPWEBTVMEO-KGLIPLIRSA-N 1 0 304.419 2.489 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNc2ccc3nnnn3n2)[C@@H]1c1ccccc1 ZINC000095396577 185352956 /nfs/dbraw/zinc/35/29/56/185352956.db2.gz IYCRVFMRRVYHFZ-YOEHRIQHSA-N 1 0 323.404 2.014 10 0 DEAERO COC(=O)c1csc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000092929234 185349589 /nfs/dbraw/zinc/34/95/89/185349589.db2.gz ZACUTAWNGKJSBO-CMPLNLGQSA-N 1 0 323.418 2.235 10 0 DEAERO COc1cccc(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1 ZINC000181450023 199299173 /nfs/dbraw/zinc/29/91/73/199299173.db2.gz FUWRHLXPKBWCML-CJNGLKHVSA-N 1 0 306.406 2.117 10 0 DEAERO CCc1nc(CN(Cc2scnc2C)C[C@H]2CC[NH2+]C2)no1 ZINC000261680638 529735619 /nfs/dbraw/zinc/73/56/19/529735619.db2.gz QOKHQEJLFJWLJB-LBPRGKRZSA-N 1 0 321.450 2.009 10 0 DEAERO Cc1ccc(NCCCNC(=O)NC[C@@H]2CCC(C)(C)O2)nc1 ZINC000186740234 282282248 /nfs/dbraw/zinc/28/22/48/282282248.db2.gz ILHXTHJGVRNJCP-AWEZNQCLSA-N 1 0 320.437 2.449 10 0 DEAERO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(O)c2)cc1 ZINC000181574848 199319647 /nfs/dbraw/zinc/31/96/47/199319647.db2.gz BQDZRDTTYSKSCD-ZDUSSCGKSA-N 1 0 314.385 2.368 10 0 DEAERO CC[C@H]1COCCN1c1cccc(Br)c1C(N)=[NH2+] ZINC000168928819 197731739 /nfs/dbraw/zinc/73/17/39/197731739.db2.gz FBIYLDILYKNZGT-VIFPVBQESA-N 1 0 312.211 2.348 10 0 DEAERO C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCC23CCCC3)CC1(C)C ZINC000441038381 529771893 /nfs/dbraw/zinc/77/18/93/529771893.db2.gz PWQBAYIDTMZWOZ-OAHLLOKOSA-N 1 0 322.497 2.034 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CC1(CO)CC1 ZINC000186920358 282285872 /nfs/dbraw/zinc/28/58/72/282285872.db2.gz ACAWOFVFJBNCRV-HNNXBMFYSA-N 1 0 311.470 2.055 10 0 DEAERO Cn1ncnc1Sc1cccc(Br)c1C(N)=[NH2+] ZINC000169026112 197732137 /nfs/dbraw/zinc/73/21/37/197732137.db2.gz OFKHOZHAPZEIAE-UHFFFAOYSA-N 1 0 312.196 2.013 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000188005650 282295638 /nfs/dbraw/zinc/29/56/38/282295638.db2.gz KPGHFRBRYHXQRK-BZNIZROVSA-N 1 0 312.360 2.386 10 0 DEAERO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)CC1(CO)CC1 ZINC000190025042 529825041 /nfs/dbraw/zinc/82/50/41/529825041.db2.gz CAGJGOUEAFBUAK-UHFFFAOYSA-N 1 0 316.854 2.064 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000188544083 282304525 /nfs/dbraw/zinc/30/45/25/282304525.db2.gz MIAAENLGKRQPFN-ZDUSSCGKSA-N 1 0 321.421 2.460 10 0 DEAERO OC[C@]1(Cc2cc(Br)ccc2F)CCC[NH2+]C1 ZINC000097153656 185416689 /nfs/dbraw/zinc/41/66/89/185416689.db2.gz WYVMBFIJQNWHGO-ZDUSSCGKSA-N 1 0 302.187 2.493 10 0 DEAERO CCC[NH2+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1ccnn1CCC ZINC000097184485 185419240 /nfs/dbraw/zinc/41/92/40/185419240.db2.gz YJBORRSGDVHYOR-KGLIPLIRSA-N 1 0 313.467 2.159 10 0 DEAERO COc1cc(C[NH2+][C@H]2CCC[C@@H]2O)cc(Br)c1O ZINC000080203958 539377082 /nfs/dbraw/zinc/37/70/82/539377082.db2.gz ZDJSYSXDUCQOGD-QWRGUYRKSA-N 1 0 316.195 2.166 10 0 DEAERO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccn(C)c2)n1C ZINC000328630539 529944564 /nfs/dbraw/zinc/94/45/64/529944564.db2.gz JMKUHEMJFIROQC-MRXNPFEDSA-N 1 0 314.433 2.450 10 0 DEAERO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C1CCCC1 ZINC000188767564 299106179 /nfs/dbraw/zinc/10/61/79/299106179.db2.gz PWMNPDPAXRINOF-KGLIPLIRSA-N 1 0 311.470 2.052 10 0 DEAERO COCCN1CCC[N@H+](CCCc2ccc(C)cc2)CC1=O ZINC000190769686 282326089 /nfs/dbraw/zinc/32/60/89/282326089.db2.gz ARFAIIJKBBEDOY-UHFFFAOYSA-N 1 0 304.434 2.108 10 0 DEAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000195298636 530006371 /nfs/dbraw/zinc/00/63/71/530006371.db2.gz FCIOOLZINYTXST-SFHVURJKSA-N 1 0 313.449 2.122 10 0 DEAERO C[NH+]1CCC(NC(=O)N[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000190445977 530050425 /nfs/dbraw/zinc/05/04/25/530050425.db2.gz UUKUKKINZPGGQQ-OAHLLOKOSA-N 1 0 303.406 2.163 10 0 DEAERO O=C(c1ccc2n[nH]nc2c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107666460 185487518 /nfs/dbraw/zinc/48/75/18/185487518.db2.gz LVMOUWUFBLYOEX-AWEZNQCLSA-N 1 0 313.405 2.048 10 0 DEAERO COc1cc(C[NH2+][C@@H]2CCOC2)cc(Br)c1O ZINC000095015630 539433517 /nfs/dbraw/zinc/43/35/17/539433517.db2.gz BJOOMNHROVTKHS-SECBINFHSA-N 1 0 302.168 2.042 10 0 DEAERO C[N@H+](CC1(CO)COC1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000089124663 282381154 /nfs/dbraw/zinc/38/11/54/282381154.db2.gz PHLWZZXVUWLDMH-KRWDZBQOSA-N 1 0 316.376 2.251 10 0 DEAERO COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000245452576 282389516 /nfs/dbraw/zinc/38/95/16/282389516.db2.gz DRBPXTJZDFDKSM-RBSFLKMASA-N 1 0 312.454 2.058 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)[C@H](C)CC(C)C ZINC000245436526 282388397 /nfs/dbraw/zinc/38/83/97/282388397.db2.gz RBHIWFYSQZPBQP-BRWVUGGUSA-N 1 0 309.498 2.438 10 0 DEAERO CCCO[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000108562007 185521624 /nfs/dbraw/zinc/52/16/24/185521624.db2.gz YISSUMHUPKKDFZ-HOTGVXAUSA-N 1 0 311.470 2.461 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000333792127 282967085 /nfs/dbraw/zinc/96/70/85/282967085.db2.gz GISXHNCNUFCMAY-SJORKVTESA-N 1 0 316.449 2.415 10 0 DEAERO CN(C)S(=O)(=O)c1ccc(Nc2cccc(C[NH3+])c2)cc1 ZINC000111375450 185590314 /nfs/dbraw/zinc/59/03/14/185590314.db2.gz OOSPQHJMDULNQQ-UHFFFAOYSA-N 1 0 305.403 2.139 10 0 DEAERO CC[C@H]1CO[C@@H](C)CN1c1nc2sccn2c1C[C@@H](C)[NH3+] ZINC000111508849 185609682 /nfs/dbraw/zinc/60/96/82/185609682.db2.gz FSHJQMIVEDNOCK-WOPDTQHZSA-N 1 0 308.451 2.289 10 0 DEAERO CC[C@@H]1CO[C@@H](C)CN1c1nc2sccn2c1C[C@@H](C)[NH3+] ZINC000111508845 185609729 /nfs/dbraw/zinc/60/97/29/185609729.db2.gz FSHJQMIVEDNOCK-GRYCIOLGSA-N 1 0 308.451 2.289 10 0 DEAERO C[C@H](C[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)Cc1ccccc1 ZINC000248607545 282518004 /nfs/dbraw/zinc/51/80/04/282518004.db2.gz WSLDKIDYLKZCEZ-XIRDDKMYSA-N 1 0 304.434 2.091 10 0 DEAERO C[C@H]([NH2+]CCn1ccnc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279679749 215055339 /nfs/dbraw/zinc/05/53/39/215055339.db2.gz GXSDHHHSSJHDDB-KBPBESRZSA-N 1 0 308.426 2.118 10 0 DEAERO CC(C)(C)[C@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000279680071 215057741 /nfs/dbraw/zinc/05/77/41/215057741.db2.gz FGACSDIHJIGCCN-DLBZAZTESA-N 1 0 307.434 2.311 10 0 DEAERO [NH3+][C@H](Cc1cc(F)ccc1Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000126690536 185884512 /nfs/dbraw/zinc/88/45/12/185884512.db2.gz UPZMJEJVMTXZIQ-CABZTGNLSA-N 1 0 305.802 2.174 10 0 DEAERO [NH3+][C@@H](Cc1cc(F)ccc1Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000126690794 185884787 /nfs/dbraw/zinc/88/47/87/185884787.db2.gz UPZMJEJVMTXZIQ-BXKDBHETSA-N 1 0 305.802 2.174 10 0 DEAERO C[NH2+]CC[C@H]1CCCCN1S(=O)(=O)c1cc(C)ccc1F ZINC000070192552 190870431 /nfs/dbraw/zinc/87/04/31/190870431.db2.gz QFSJKMRBGIKNQE-CYBMUJFWSA-N 1 0 314.426 2.287 10 0 DEAERO C[C@H]([NH2+]CCn1cncn1)c1cc(Br)cs1 ZINC000279808330 215164138 /nfs/dbraw/zinc/16/41/38/215164138.db2.gz XBAOFFILNLDFQY-QMMMGPOBSA-N 1 0 301.213 2.453 10 0 DEAERO CC(C)(C(=O)N[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000126931719 185904870 /nfs/dbraw/zinc/90/48/70/185904870.db2.gz VHCLEGZFXKHKBB-LBPRGKRZSA-N 1 0 311.223 2.205 10 0 DEAERO CCN1CCO[C@H](C[NH2+]C)[C@@H]1c1ccccc1Br ZINC000070287976 190877315 /nfs/dbraw/zinc/87/73/15/190877315.db2.gz SRJLUAUEBFQPQW-KGLIPLIRSA-N 1 0 313.239 2.430 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](n2cccn2)CC1 ZINC000616602450 362896192 /nfs/dbraw/zinc/89/61/92/362896192.db2.gz XPUWOZFHJNZQOY-CQSZACIVSA-N 1 0 308.426 2.435 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000176258526 539626212 /nfs/dbraw/zinc/62/62/12/539626212.db2.gz ZJKQNRZPHCNHRM-JKSUJKDBSA-N 1 0 301.434 2.452 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000180955936 539648387 /nfs/dbraw/zinc/64/83/87/539648387.db2.gz QTMKZHRKHJWDNW-OCCSQVGLSA-N 1 0 307.442 2.488 10 0 DEAERO [NH3+][C@H]1CCN(c2ncccc2-c2nc(-c3cccs3)no2)C1 ZINC000070458065 190897509 /nfs/dbraw/zinc/89/75/09/190897509.db2.gz RPECEZLRZBFLEW-JTQLQIEISA-N 1 0 313.386 2.398 10 0 DEAERO CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc(Cl)cn1 ZINC000180844239 539647234 /nfs/dbraw/zinc/64/72/34/539647234.db2.gz UCEPMCNHWKRDIM-UHFFFAOYSA-N 1 0 312.845 2.464 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccs3)C2=O)n(C)n1 ZINC000080526750 192164972 /nfs/dbraw/zinc/16/49/72/192164972.db2.gz RAIVRYDMLHKMSK-CYBMUJFWSA-N 1 0 304.419 2.075 10 0 DEAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC000183219283 539660228 /nfs/dbraw/zinc/66/02/28/539660228.db2.gz RAJQEXCRNIXSFD-YJBOKZPZSA-N 1 0 316.445 2.273 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3C)C2=O)n(C)n1 ZINC000080526651 192165211 /nfs/dbraw/zinc/16/52/11/192165211.db2.gz WRUNKYJXKZJEDP-MRXNPFEDSA-N 1 0 312.417 2.322 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)C1 ZINC000070576296 190906984 /nfs/dbraw/zinc/90/69/84/190906984.db2.gz WLGJZVSWRXYOKY-BARDWOONSA-N 1 0 312.479 2.017 10 0 DEAERO C[C@@H]1CC[C@@H](C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)O1 ZINC000190525012 539695484 /nfs/dbraw/zinc/69/54/84/539695484.db2.gz OPOIHNNXRAFFAX-WBVHZDCISA-N 1 0 320.481 2.323 10 0 DEAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)NCc1ccc(Cl)s1 ZINC000071319640 190957245 /nfs/dbraw/zinc/95/72/45/190957245.db2.gz YVVRCOCSWRSCHQ-JTQLQIEISA-N 1 0 322.883 2.353 10 0 DEAERO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC([NH+](C)C)CC1 ZINC000193814168 539715111 /nfs/dbraw/zinc/71/51/11/539715111.db2.gz GHZNOWCMXHFVMQ-HUUCEWRRSA-N 1 0 315.461 2.379 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)CCc1c[nH]cn1 ZINC000193835382 539715475 /nfs/dbraw/zinc/71/54/75/539715475.db2.gz XHSDEJXKVSVRKH-LLVKDONJSA-N 1 0 303.410 2.480 10 0 DEAERO C[NH2+][C@H](CCc1ccc(I)cc1)COC ZINC000083850041 192386988 /nfs/dbraw/zinc/38/69/88/192386988.db2.gz UXTWGPNMJUZJJU-GFCCVEGCSA-N 1 0 319.186 2.458 10 0 DEAERO Cc1ccc(C)c([S@@](=O)[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1 ZINC000083999251 192395824 /nfs/dbraw/zinc/39/58/24/192395824.db2.gz PSEPHBVTRFKSNE-YHQOMNDMSA-N 1 0 309.431 2.034 10 0 DEAERO [NH3+][C@H](C[S@@](=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000084030531 192395958 /nfs/dbraw/zinc/39/59/58/192395958.db2.gz ZZHCSZPSVCSUHK-GIPWTMENSA-N 1 0 309.412 2.327 10 0 DEAERO CO[C@@H](C)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000224202529 539729502 /nfs/dbraw/zinc/72/95/02/539729502.db2.gz KBGWVELQKDIBBO-UWVGGRQHSA-N 1 0 308.205 2.358 10 0 DEAERO C=Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000219395861 539727345 /nfs/dbraw/zinc/72/73/45/539727345.db2.gz GQNRHZNSSWCAKD-ZDUSSCGKSA-N 1 0 306.410 2.330 10 0 DEAERO CCC[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000133309449 185973186 /nfs/dbraw/zinc/97/31/86/185973186.db2.gz MOZSVONGXXKYKI-GFCCVEGCSA-N 1 0 318.389 2.118 10 0 DEAERO CCCC(=O)NCCc1nc2ccccc2n1CCC[NH+](C)C ZINC000071482260 190984142 /nfs/dbraw/zinc/98/41/42/190984142.db2.gz XWLOCFYTGXFKAO-UHFFFAOYSA-N 1 0 316.449 2.447 10 0 DEAERO O=C1CC[C@@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)N1 ZINC000236049294 539736717 /nfs/dbraw/zinc/73/67/17/539736717.db2.gz QFVPTNNVUGFLPD-VIFPVBQESA-N 1 0 317.614 2.471 10 0 DEAERO [NH3+]Cc1ccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000071699872 191010205 /nfs/dbraw/zinc/01/02/05/191010205.db2.gz BNXBAGXOXXWXCB-HNNXBMFYSA-N 1 0 304.777 2.262 10 0 DEAERO CCNc1ncc(Br)c(N(C)CCC[NH+](C)C)n1 ZINC000133616427 186000016 /nfs/dbraw/zinc/00/00/16/186000016.db2.gz UPSIUSIPAWFOPG-UHFFFAOYSA-N 1 0 316.247 2.059 10 0 DEAERO COC(=O)c1ccc(Cl)c(N[C@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000133650010 186003565 /nfs/dbraw/zinc/00/35/65/186003565.db2.gz VJAOOIUTBKBXSB-PWSUYJOCSA-N 1 0 312.797 2.306 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Cl)s1)N1CCCC2(C1)OCCO2 ZINC000133660954 186003842 /nfs/dbraw/zinc/00/38/42/186003842.db2.gz XHIQUZNNGCGJIC-JTQLQIEISA-N 1 0 302.827 2.240 10 0 DEAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000133719313 186009776 /nfs/dbraw/zinc/00/97/76/186009776.db2.gz OMQUJTOXSVKIHL-ZIAGYGMSSA-N 1 0 313.463 2.316 10 0 DEAERO CC(=O)NC1CCN([C@@H](c2cccc(Cl)c2)[C@H](C)[NH3+])CC1 ZINC000133724809 186010064 /nfs/dbraw/zinc/01/00/64/186010064.db2.gz SSYAJLXVSPDARX-MEDUHNTESA-N 1 0 309.841 2.329 10 0 DEAERO C[C@H]1CCC[C@]([NH3+])(c2nc3c(cccc3S(C)(=O)=O)[nH]2)C1 ZINC000138156776 186014616 /nfs/dbraw/zinc/01/46/16/186014616.db2.gz QMZYXUVYRIGUIP-ZUZCIYMTSA-N 1 0 307.419 2.331 10 0 DEAERO C[C@H](NC(=O)c1cccc(N)c1Br)c1ncc[nH]1 ZINC000138383415 186016527 /nfs/dbraw/zinc/01/65/27/186016527.db2.gz VIPMHCMKSMZHOT-ZETCQYMHSA-N 1 0 309.167 2.245 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1 ZINC000138535912 186017917 /nfs/dbraw/zinc/01/79/17/186017917.db2.gz PSCOZFQCPLMAHR-SNVBAGLBSA-N 1 0 318.389 2.234 10 0 DEAERO CC(C)[C@@H]1CCCN1S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139159911 186020462 /nfs/dbraw/zinc/02/04/62/186020462.db2.gz CPKXCVKTJXXITF-LBPRGKRZSA-N 1 0 318.389 2.233 10 0 DEAERO C[C@@H]([NH2+]CCCc1ncc[nH]1)c1ccc(S(C)(=O)=O)cc1 ZINC000139366846 186021767 /nfs/dbraw/zinc/02/17/67/186021767.db2.gz YTUPYYNTUKMXLP-GFCCVEGCSA-N 1 0 307.419 2.097 10 0 DEAERO CCC[NH2+]Cc1c[nH]nc1S(=O)(=O)NCCCCC(C)C ZINC000147926577 186042687 /nfs/dbraw/zinc/04/26/87/186042687.db2.gz RKKAGUSYKFHASY-UHFFFAOYSA-N 1 0 316.471 2.014 10 0 DEAERO CC[C@H]1N[C@H](c2cccs2)N(CC[NH+]2CCCCC2)C1=O ZINC000144061566 186034637 /nfs/dbraw/zinc/03/46/37/186034637.db2.gz OGCCOTZBVCQHBH-HIFRSBDPSA-N 1 0 307.463 2.443 10 0 DEAERO CC[C@@H]1N[C@@H](c2cccs2)N(C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000144234313 186034696 /nfs/dbraw/zinc/03/46/96/186034696.db2.gz LQXIORLZIYQVJO-VNHYZAJKSA-N 1 0 307.463 2.299 10 0 DEAERO CC[NH+]1CCC(CN2C(=O)[C@H](C)N[C@@H]2c2cccs2)CC1 ZINC000145512433 186037056 /nfs/dbraw/zinc/03/70/56/186037056.db2.gz IDKDMMILVKFCSB-WFASDCNBSA-N 1 0 307.463 2.299 10 0 DEAERO CN(C1(C[NH3+])CCCCC1)S(=O)(=O)CCc1ccccc1 ZINC000149272365 186048226 /nfs/dbraw/zinc/04/82/26/186048226.db2.gz BREDFNHDGCRNFF-UHFFFAOYSA-N 1 0 310.463 2.152 10 0 DEAERO C[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)CCc1ccccc1 ZINC000149260381 186048366 /nfs/dbraw/zinc/04/83/66/186048366.db2.gz HZGQQQBWAMHZCX-GDBMZVCRSA-N 1 0 310.463 2.021 10 0 DEAERO C[C@@H](CS(=O)(=O)N(C)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000149513417 186050744 /nfs/dbraw/zinc/05/07/44/186050744.db2.gz HTXAENLTSIANKX-NUEKZKHPSA-N 1 0 310.463 2.179 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000149519573 186050837 /nfs/dbraw/zinc/05/08/37/186050837.db2.gz WBVRMRORTLZGFY-CQSZACIVSA-N 1 0 312.479 2.427 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000149534224 186050887 /nfs/dbraw/zinc/05/08/87/186050887.db2.gz RMJWNFJHWOQMIY-SRVKXCTJSA-N 1 0 310.360 2.368 10 0 DEAERO CCCNc1nc(Cl)nc(NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000149710322 186052356 /nfs/dbraw/zinc/05/23/56/186052356.db2.gz YSWJUTBKKLJVMZ-LLVKDONJSA-N 1 0 312.849 2.491 10 0 DEAERO [NH3+]C1(CNCc2ccc(Br)s2)CCOCC1 ZINC000149811878 186053093 /nfs/dbraw/zinc/05/30/93/186053093.db2.gz VPRXJIZVPLLLEN-UHFFFAOYSA-N 1 0 305.241 2.108 10 0 DEAERO Cc1ccc(CN(C(=O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)C2CC2)o1 ZINC000248869492 539776716 /nfs/dbraw/zinc/77/67/16/539776716.db2.gz ZQTFNXYGAZTWFT-YWVIFJGQSA-N 1 0 320.433 2.313 10 0 DEAERO CC[NH2+]CCCCS(=O)(=O)NCCCCC(F)(F)F ZINC000149991509 186054215 /nfs/dbraw/zinc/05/42/15/186054215.db2.gz FJJLLCHSPKQJBU-UHFFFAOYSA-N 1 0 304.378 2.028 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NN2CCCCC2)cc1 ZINC000148539236 186045160 /nfs/dbraw/zinc/04/51/60/186045160.db2.gz GFAQLJFCELVMNI-ZDUSSCGKSA-N 1 0 311.451 2.036 10 0 DEAERO CCC[NH2+][C@H](Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000150186749 186055345 /nfs/dbraw/zinc/05/53/45/186055345.db2.gz YYWDIRBHBXIFII-QWHCGFSZSA-N 1 0 316.492 2.105 10 0 DEAERO Cc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)sc1Br ZINC000150316008 186056746 /nfs/dbraw/zinc/05/67/46/186056746.db2.gz NUJCZYUBWHLWPV-MRVPVSSYSA-N 1 0 303.225 2.286 10 0 DEAERO CCOc1cc2c(cc1CNC(=O)[C@H]([NH3+])[C@@H](C)CC)O[C@@H](C)C2 ZINC000150757712 186064264 /nfs/dbraw/zinc/06/42/64/186064264.db2.gz QDMOIIIQPINQJE-NVGCLXPQSA-N 1 0 320.433 2.398 10 0 DEAERO COc1cc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc(OC)c1C ZINC000155660739 186100729 /nfs/dbraw/zinc/10/07/29/186100729.db2.gz QIYOIQMQLCTZIM-RYUDHWBXSA-N 1 0 306.406 2.177 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000155675229 186102160 /nfs/dbraw/zinc/10/21/60/186102160.db2.gz FLCHZSDZQLKNFD-RYUDHWBXSA-N 1 0 303.381 2.401 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)COc1ccc(F)cc1Cl ZINC000155715256 186105711 /nfs/dbraw/zinc/10/57/11/186105711.db2.gz ZYETYERHKSXTAS-GHMZBOCLSA-N 1 0 314.788 2.409 10 0 DEAERO CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000163948799 186143515 /nfs/dbraw/zinc/14/35/15/186143515.db2.gz PYMGMPVBJWNBSM-VIFPVBQESA-N 1 0 309.797 2.483 10 0 DEAERO COc1ccc(C[NH2+]C[C@@H](C)[S@](C)=O)cc1Br ZINC000159715049 186136894 /nfs/dbraw/zinc/13/68/94/186136894.db2.gz QCANMSOULHSQPM-VVVCHXIZSA-N 1 0 320.252 2.314 10 0 DEAERO CCn1ncnc1C[C@@H]([NH3+])c1csc(Br)c1 ZINC000163920917 186141928 /nfs/dbraw/zinc/14/19/28/186141928.db2.gz RMGBZOABRVICKW-MRVPVSSYSA-N 1 0 301.213 2.365 10 0 DEAERO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C(N)=S)c2)CC[N@@H+]1C ZINC000164215837 186152390 /nfs/dbraw/zinc/15/23/90/186152390.db2.gz FAZICUSYAFRYRN-SECBINFHSA-N 1 0 317.380 2.480 10 0 DEAERO [NH3+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1cscc1Br ZINC000164381760 186157860 /nfs/dbraw/zinc/15/78/60/186157860.db2.gz SWPVFICRSZIOFN-XVKPBYJWSA-N 1 0 324.265 2.335 10 0 DEAERO CCCn1ncc(Br)c1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000164404509 186158423 /nfs/dbraw/zinc/15/84/23/186158423.db2.gz BPNXXNWBZCVXMS-VIFPVBQESA-N 1 0 300.200 2.238 10 0 DEAERO CC(C)[C@@H](O)CNC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000175638502 186183515 /nfs/dbraw/zinc/18/35/15/186183515.db2.gz XRNPGMKUAVILNA-RDJZCZTQSA-N 1 0 321.465 2.213 10 0 DEAERO COC[C@@H](C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186054265 186236164 /nfs/dbraw/zinc/23/61/64/186236164.db2.gz OWYZNLRTLHPSKR-PBHICJAKSA-N 1 0 304.434 2.296 10 0 DEAERO C[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186071394 186238164 /nfs/dbraw/zinc/23/81/64/186238164.db2.gz QEGVHLSWKNTTDW-HZMBPMFUSA-N 1 0 322.206 2.299 10 0 DEAERO CCOc1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171900460 198004051 /nfs/dbraw/zinc/00/40/51/198004051.db2.gz KOSPJVSZBSMJBC-HNNXBMFYSA-N 1 0 303.406 2.075 10 0 DEAERO O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905034 198005334 /nfs/dbraw/zinc/00/53/34/198005334.db2.gz YIHBZWSFUBBLFP-BZUAXINKSA-N 1 0 303.381 2.171 10 0 DEAERO COc1cc(Cl)ccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171908055 198006020 /nfs/dbraw/zinc/00/60/20/198006020.db2.gz IJTJVIZLVVDKCL-CQSZACIVSA-N 1 0 323.824 2.338 10 0 DEAERO O[C@H](C[NH+]1CCN(c2ccnc(C3CC3)n2)CC1)c1ccccc1 ZINC000171986566 198020804 /nfs/dbraw/zinc/02/08/04/198020804.db2.gz FDRNXOQYGGJXEG-QGZVFWFLSA-N 1 0 324.428 2.210 10 0 DEAERO CCCCn1c(=O)c2sccc2nc1N1CCC[C@H]([NH3+])C1 ZINC000057346559 282983437 /nfs/dbraw/zinc/98/34/37/282983437.db2.gz FFUUWYMAJJAKEF-NSHDSACASA-N 1 0 306.435 2.186 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC000172054975 198032191 /nfs/dbraw/zinc/03/21/91/198032191.db2.gz KVBYBKMAWIVXNS-RHSMWYFYSA-N 1 0 310.401 2.181 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCS(=O)(=O)c1ccccc1 ZINC000172081328 198036603 /nfs/dbraw/zinc/03/66/03/198036603.db2.gz DWMNQZNFMOWDNA-JKSUJKDBSA-N 1 0 322.474 2.019 10 0 DEAERO CC1CCC([NH+]2CCN(C(=O)N[C@H]3CCCOC3)CC2)CC1 ZINC000172150697 198047563 /nfs/dbraw/zinc/04/75/63/198047563.db2.gz BSULBSKKRTWSFU-PCKAHOCUSA-N 1 0 309.454 2.071 10 0 DEAERO COC(=O)C1CCC(C(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000186260458 290937181 /nfs/dbraw/zinc/93/71/81/290937181.db2.gz XMRAGEWDMQJZHU-QQFBHYJXSA-N 1 0 324.465 2.347 10 0 DEAERO Cc1ccc(CCNC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000172189583 198054349 /nfs/dbraw/zinc/05/43/49/198054349.db2.gz WSQIVRQMHJXADG-UHFFFAOYSA-N 1 0 301.434 2.417 10 0 DEAERO CC[C@@H]1CN(C(=O)NCc2ccsc2)CC[N@@H+]1CCOC ZINC000172324816 198079741 /nfs/dbraw/zinc/07/97/41/198079741.db2.gz HOLCXNMOKQRUBN-CQSZACIVSA-N 1 0 311.451 2.000 10 0 DEAERO COCCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000172617202 198124950 /nfs/dbraw/zinc/12/49/50/198124950.db2.gz QNVHCVQVBHYKLC-ZBFHGGJFSA-N 1 0 320.433 2.267 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CN(c2ncc(Br)cc2Cl)CCO1 ZINC000300044560 539860459 /nfs/dbraw/zinc/86/04/59/539860459.db2.gz OAWFHPJKSPXYMZ-GMSGAONNSA-N 1 0 320.618 2.050 10 0 DEAERO CC(C)CO[C@H](C)c1noc(CN2CCC[N@@H+](C3CC3)CC2)n1 ZINC000080627709 192175312 /nfs/dbraw/zinc/17/53/12/192175312.db2.gz IRFWFUXWUHUNLG-CQSZACIVSA-N 1 0 322.453 2.473 10 0 DEAERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COC1(C)C[NH2+]C1 ZINC000309773935 539879201 /nfs/dbraw/zinc/87/92/01/539879201.db2.gz WJCRUNKICKRMJU-AWEZNQCLSA-N 1 0 302.418 2.192 10 0 DEAERO O=C(CCN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccccc1F ZINC000172804019 198151862 /nfs/dbraw/zinc/15/18/62/198151862.db2.gz NMOGBCHZTBCCJE-CQSZACIVSA-N 1 0 305.397 2.324 10 0 DEAERO CCOC[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000072838893 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DEAERO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000173275575 198205866 /nfs/dbraw/zinc/20/58/66/198205866.db2.gz IIWGVIGDJKUTKZ-MFKMUULPSA-N 1 0 316.492 2.468 10 0 DEAERO COc1ccccc1[C@@H](C)NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333326088 539956297 /nfs/dbraw/zinc/95/62/97/539956297.db2.gz VINFAYXABYPSSS-CYBMUJFWSA-N 1 0 303.406 2.294 10 0 DEAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC[C@H]2C)cc1 ZINC000333642281 539966977 /nfs/dbraw/zinc/96/69/77/539966977.db2.gz IKWHHUNWXGLHLQ-COXVUDFISA-N 1 0 317.433 2.335 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](C3CCCCC3)C2)C1 ZINC000333651070 539966815 /nfs/dbraw/zinc/96/68/15/539966815.db2.gz JUAAJUYSMJYMGE-PMPSAXMXSA-N 1 0 309.454 2.247 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000333776932 539971587 /nfs/dbraw/zinc/97/15/87/539971587.db2.gz DBGYOZDLZGNQJC-ULQDDVLXSA-N 1 0 323.481 2.495 10 0 DEAERO O=C(c1cc(=O)[nH]c2ccc(F)cc21)N1CCC2(CC[NH2+]2)CC1 ZINC000333787281 539972020 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Brc1cnc(N2CCC([NH+]3CCCC3)CC2)nc1 ZINC000067368367 354758944 /nfs/dbraw/zinc/75/89/44/354758944.db2.gz UKVSZPMOPHPKEP-UHFFFAOYSA-N 1 0 311.227 2.304 10 0 DEAERO Cc1cccc(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000068319636 354808161 /nfs/dbraw/zinc/80/81/61/354808161.db2.gz ZROYJFFRCXHJOH-UHFFFAOYSA-N 1 0 324.428 2.072 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCOc1ccc(C)cc1 ZINC000074489865 355032264 /nfs/dbraw/zinc/03/22/64/355032264.db2.gz FLKHCQQQHQNMDF-MRXNPFEDSA-N 1 0 319.449 2.500 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1nccn1CC(C)C ZINC000073654240 191337363 /nfs/dbraw/zinc/33/73/63/191337363.db2.gz YBGOWTRBBYPIPJ-CQSZACIVSA-N 1 0 309.458 2.069 10 0 DEAERO CCc1nc(-c2cnccn2)nc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000073684867 191341822 /nfs/dbraw/zinc/34/18/22/191341822.db2.gz PFKLCXXCMFOPGJ-ZDUSSCGKSA-N 1 0 312.421 2.216 10 0 DEAERO CO[C@@H](CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)C(C)(C)C ZINC000073722900 191348403 /nfs/dbraw/zinc/34/84/03/191348403.db2.gz RZMFYWZTTFQTSF-KGLIPLIRSA-N 1 0 301.475 2.323 10 0 DEAERO CO[C@@H](CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C(C)(C)C ZINC000073722898 191348434 /nfs/dbraw/zinc/34/84/34/191348434.db2.gz RZMFYWZTTFQTSF-KBPBESRZSA-N 1 0 301.475 2.323 10 0 DEAERO Cc1cncc(CC[NH2+]Cc2cnn(Cc3ccccc3)c2)n1 ZINC000402723281 540143701 /nfs/dbraw/zinc/14/37/01/540143701.db2.gz XEYMPLRDFUPHIJ-UHFFFAOYSA-N 1 0 307.401 2.362 10 0 DEAERO CN(Cc1csc(Br)c1)C(=O)CC1([NH3+])CC1 ZINC000398052028 540140559 /nfs/dbraw/zinc/14/05/59/540140559.db2.gz WWQZLNBZAYKFTI-UHFFFAOYSA-N 1 0 303.225 2.350 10 0 DEAERO CSc1ccc(OCC[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000075714593 191510997 /nfs/dbraw/zinc/51/09/97/191510997.db2.gz QIGQLLHVXSZQES-STQMWFEESA-N 1 0 308.447 2.373 10 0 DEAERO CCC[NH+]1CCC(Nc2cncc(-n3ccnc3C)n2)CC1 ZINC000092886288 355654248 /nfs/dbraw/zinc/65/42/48/355654248.db2.gz XHUSJTMFBLXIRF-UHFFFAOYSA-N 1 0 300.410 2.257 10 0 DEAERO Cc1ccc(CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cn1 ZINC000111826649 355750440 /nfs/dbraw/zinc/75/04/40/355750440.db2.gz 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COc1ccc(CC[NH2+][C@H]2CCCS(=O)(=O)C2)c(Cl)c1 ZINC000183123042 356160499 /nfs/dbraw/zinc/16/04/99/356160499.db2.gz BVXYWVRPUNLYMH-LBPRGKRZSA-N 1 0 317.838 2.058 10 0 DEAERO C[C@@H](CC1CCCCC1)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000183357235 356168913 /nfs/dbraw/zinc/16/89/13/356168913.db2.gz IRNVBURRGGOSAC-ZFWWWQNUSA-N 1 0 302.484 2.216 10 0 DEAERO Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)NC(=O)NC3CC3)C2)c1 ZINC000183484603 356174246 /nfs/dbraw/zinc/17/42/46/356174246.db2.gz NCUKJJSFRDJJGN-AWEZNQCLSA-N 1 0 315.417 2.081 10 0 DEAERO COC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000187087059 356212877 /nfs/dbraw/zinc/21/28/77/356212877.db2.gz LXHHPXROKBOPSR-WFASDCNBSA-N 1 0 309.385 2.304 10 0 DEAERO COC[C@@H](C)C[NH+]1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000189549598 356215977 /nfs/dbraw/zinc/21/59/77/356215977.db2.gz CPWAVVRRDIGNTN-HNNXBMFYSA-N 1 0 322.449 2.104 10 0 DEAERO CC[C@@H](NS(=O)(=O)c1ccc(C[NH3+])s1)c1nccs1 ZINC000080314970 192023843 /nfs/dbraw/zinc/02/38/43/192023843.db2.gz GGXZABOKQOOZDA-SECBINFHSA-N 1 0 317.461 2.093 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)C1 ZINC000184678707 356196524 /nfs/dbraw/zinc/19/65/24/356196524.db2.gz YDXULGSEOFAALO-ARFHVFGLSA-N 1 0 311.470 2.364 10 0 DEAERO NC(=S)[C@@H](CN1CCC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000080797745 192192385 /nfs/dbraw/zinc/19/23/85/192192385.db2.gz WLPZCBGAAJWUSQ-CVEARBPZSA-N 1 0 303.475 2.226 10 0 DEAERO [NH3+]C1(COc2ccccc2S(=O)(=O)C(F)F)CCCC1 ZINC000080838513 192194836 /nfs/dbraw/zinc/19/48/36/192194836.db2.gz HIDIRGKJDQVXJH-UHFFFAOYSA-N 1 0 305.346 2.333 10 0 DEAERO COc1ccccc1NCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080715669 192185078 /nfs/dbraw/zinc/18/50/78/192185078.db2.gz MSTFRCVKXBRWFK-GOOCMWNKSA-N 1 0 317.433 2.239 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000080718339 192186428 /nfs/dbraw/zinc/18/64/28/192186428.db2.gz YHATYGMAKBCHIQ-WZYMTQMTSA-N 1 0 304.438 2.192 10 0 DEAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000226464146 356278679 /nfs/dbraw/zinc/27/86/79/356278679.db2.gz GBUQCRWMNMAKEA-VIFPVBQESA-N 1 0 308.856 2.164 10 0 DEAERO CCc1ccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)s1 ZINC000226464983 356278892 /nfs/dbraw/zinc/27/88/92/356278892.db2.gz TWJWZGORVHVCPN-NSHDSACASA-N 1 0 302.465 2.073 10 0 DEAERO C[C@@H](O)CCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000227713298 356280226 /nfs/dbraw/zinc/28/02/26/356280226.db2.gz JEZKYQSDFISOIY-MNOVXSKESA-N 1 0 322.232 2.484 10 0 DEAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1ccncc1Cl ZINC000227721060 356280301 /nfs/dbraw/zinc/28/03/01/356280301.db2.gz BBZXTNBBYDFTPM-HNNXBMFYSA-N 1 0 301.777 2.433 10 0 DEAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)ncn1 ZINC000245752208 356310587 /nfs/dbraw/zinc/31/05/87/356310587.db2.gz HFVKWAHTONTMNS-XGUBFFRZSA-N 1 0 319.453 2.033 10 0 DEAERO CC[C@H]1C[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)CCO1 ZINC000249746495 356331302 /nfs/dbraw/zinc/33/13/02/356331302.db2.gz ZUPNYWHPROCCAR-CVEARBPZSA-N 1 0 313.825 2.328 10 0 DEAERO COC[C@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2N)C1 ZINC000081041469 192218707 /nfs/dbraw/zinc/21/87/07/192218707.db2.gz DCCJLDVSJDIEIO-NSHDSACASA-N 1 0 311.813 2.219 10 0 DEAERO C[C@H](CC1CC1)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305114469 356399856 /nfs/dbraw/zinc/39/98/56/356399856.db2.gz FCXJCYDGDFUCSL-XOKHGSTOSA-N 1 0 323.481 2.242 10 0 DEAERO CCN(CC)C(=O)c1cccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000236824958 202028248 /nfs/dbraw/zinc/02/82/48/202028248.db2.gz ZKHWLVCGJUBQPU-GJZGRUSLSA-N 1 0 303.406 2.235 10 0 DEAERO COC[C@H]1CCN([C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000081042132 192219783 /nfs/dbraw/zinc/21/97/83/192219783.db2.gz VTLUUYDUTPMQIV-FZMZJTMJSA-N 1 0 313.239 2.417 10 0 DEAERO COC[C@H]1CC[N@H+](CCCOc2ccccc2C(N)=S)C1 ZINC000081065122 192222694 /nfs/dbraw/zinc/22/26/94/192222694.db2.gz XDZAQGQVPGLNJE-ZDUSSCGKSA-N 1 0 308.447 2.058 10 0 DEAERO CC(C)=CC[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000284606977 356369588 /nfs/dbraw/zinc/36/95/88/356369588.db2.gz RIDHZNXGRASBOU-RHSMWYFYSA-N 1 0 302.422 2.170 10 0 DEAERO O[C@@H](c1cccc(I)c1)[C@H]1CCC[NH2+]1 ZINC000306186675 356402888 /nfs/dbraw/zinc/40/28/88/356402888.db2.gz SNWLZZOFBJOYNL-MNOVXSKESA-N 1 0 303.143 2.077 10 0 DEAERO [NH3+][C@@]1(c2ncc(Br)cc2Br)CCOC1 ZINC000306215832 356404025 /nfs/dbraw/zinc/40/40/25/356404025.db2.gz BMBAINWRPQHMDX-VIFPVBQESA-N 1 0 322.000 2.181 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](c2cccc(I)c2)O1 ZINC000307606523 356409602 /nfs/dbraw/zinc/40/96/02/356409602.db2.gz CSXVLQXBXMGYLU-GHMZBOCLSA-N 1 0 303.143 2.470 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](c2cccc(I)c2)O1 ZINC000307606550 356409617 /nfs/dbraw/zinc/40/96/17/356409617.db2.gz CSXVLQXBXMGYLU-WDEREUQCSA-N 1 0 303.143 2.470 10 0 DEAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328627680 356462674 /nfs/dbraw/zinc/46/26/74/356462674.db2.gz GMCACEDVTRHXPC-DCAQKATOSA-N 1 0 303.328 2.231 10 0 DEAERO CC(=O)N(C1CCC1)[C@H]1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC000328634008 356465105 /nfs/dbraw/zinc/46/51/05/356465105.db2.gz MIXICYDKJZIPKL-INIZCTEOSA-N 1 0 304.438 2.176 10 0 DEAERO C[C@H](c1nc(C2CC2)no1)[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328655569 356466586 /nfs/dbraw/zinc/46/65/86/356466586.db2.gz YMCDIKDSUWZHIH-NEPJUHHUSA-N 1 0 301.394 2.399 10 0 DEAERO C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000081450497 192268458 /nfs/dbraw/zinc/26/84/58/192268458.db2.gz RNWOBPCDMMGDSM-UONOGXRCSA-N 1 0 312.454 2.440 10 0 DEAERO CC[C@H]([NH3+])Cc1c(Cl)cccc1N1CCn2cnnc2C1 ZINC000081544528 192287829 /nfs/dbraw/zinc/28/78/29/192287829.db2.gz YTNJZZZINFBDDG-NSHDSACASA-N 1 0 305.813 2.232 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Sc2nncn2C)cc1 ZINC000236912461 202066814 /nfs/dbraw/zinc/06/68/14/202066814.db2.gz VXXJYYALBWJUAZ-GXFFZTMASA-N 1 0 319.434 2.278 10 0 DEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCNc1nc2ccccc2s1 ZINC000236927641 202075614 /nfs/dbraw/zinc/07/56/14/202075614.db2.gz URDRIGXUHUGQGU-MFKMUULPSA-N 1 0 306.435 2.198 10 0 DEAERO COc1ccc([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c2ccccc12 ZINC000086020163 192543928 /nfs/dbraw/zinc/54/39/28/192543928.db2.gz NJLIDKSCHPLPKH-BZNIZROVSA-N 1 0 305.399 2.283 10 0 DEAERO C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000086026564 192545084 /nfs/dbraw/zinc/54/50/84/192545084.db2.gz OHROPCLAPDRJEJ-WCQYABFASA-N 1 0 321.364 2.271 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000384075590 356682083 /nfs/dbraw/zinc/68/20/83/356682083.db2.gz QZGQYRJDDHMVFO-QZTJIDSGSA-N 1 0 316.445 2.441 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000390714311 356709467 /nfs/dbraw/zinc/70/94/67/356709467.db2.gz BRCLIOKOPCSQEY-HOTGVXAUSA-N 1 0 304.434 2.488 10 0 DEAERO OCC[NH+]1CCC(NCc2sccc2Br)CC1 ZINC000399218428 356721156 /nfs/dbraw/zinc/72/11/56/356721156.db2.gz JPVOQACAZJHBKS-UHFFFAOYSA-N 1 0 319.268 2.057 10 0 DEAERO COc1ccc(C(=O)N2C[C@H]([NH3+])CC[C@@H]2C(F)(F)F)c(F)c1 ZINC000393353370 356713295 /nfs/dbraw/zinc/71/32/95/356713295.db2.gz RIKCUFPPHFYVKL-PRHODGIISA-N 1 0 320.286 2.329 10 0 DEAERO COC(=O)COc1c(C)cc(C[NH2+][C@@H]2CCCOC2)cc1C ZINC000237173182 202175801 /nfs/dbraw/zinc/17/58/01/202175801.db2.gz QEQPOGLHNBZFRC-OAHLLOKOSA-N 1 0 307.390 2.124 10 0 DEAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)NC ZINC000578596145 356840771 /nfs/dbraw/zinc/84/07/71/356840771.db2.gz OMXSROSSIPKAOW-WCBMZHEXSA-N 1 0 300.200 2.019 10 0 DEAERO CC[C@H]1CN(CCCS(=O)(=O)CC)C(CC)(CC)C[NH2+]1 ZINC000086982360 192606276 /nfs/dbraw/zinc/60/62/76/192606276.db2.gz FHYYTOJWJBRMPI-AWEZNQCLSA-N 1 0 304.500 2.054 10 0 DEAERO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)cc1 ZINC000579786773 357029152 /nfs/dbraw/zinc/02/91/52/357029152.db2.gz JWXQUYKNLAIKMO-CYBMUJFWSA-N 1 0 300.402 2.423 10 0 DEAERO CCC1CCN(S(=O)(=O)c2ccc(CC[NH2+]C)s2)CC1 ZINC000088990353 192684826 /nfs/dbraw/zinc/68/48/26/192684826.db2.gz KWGGUTXJSMBWDI-UHFFFAOYSA-N 1 0 316.492 2.321 10 0 DEAERO C[NH2+]Cc1ccc(C)c(S(=O)(=O)NCc2cccs2)c1 ZINC000088974646 192677819 /nfs/dbraw/zinc/67/78/19/192677819.db2.gz DOCFSVPFGFWQHW-UHFFFAOYSA-N 1 0 310.444 2.254 10 0 DEAERO O[C@@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000590599668 357563520 /nfs/dbraw/zinc/56/35/20/357563520.db2.gz CJVXTLYOEIWOKT-ZBFHGGJFSA-N 1 0 319.401 2.420 10 0 DEAERO Cc1ccc(N2CCC[N@@H+](Cc3cnn(C(C)C)c3)CC2)nn1 ZINC000179494590 199045555 /nfs/dbraw/zinc/04/55/55/199045555.db2.gz PPBIDXKCIANBPN-UHFFFAOYSA-N 1 0 314.437 2.275 10 0 DEAERO CC(C)n1cc(C[NH+]2CCC(N(C)c3cccnn3)CC2)cn1 ZINC000179498853 199045742 /nfs/dbraw/zinc/04/57/42/199045742.db2.gz ZHKCQWABBNKAMF-UHFFFAOYSA-N 1 0 314.437 2.355 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cnn3ccccc23)C[C@H]1CC ZINC000179513613 199048389 /nfs/dbraw/zinc/04/83/89/199048389.db2.gz QAJXHWUHLUBDMI-QGZVFWFLSA-N 1 0 316.449 2.267 10 0 DEAERO CC(C)(C)NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179750537 199076434 /nfs/dbraw/zinc/07/64/34/199076434.db2.gz RNFGJBUQJZILEM-KRWDZBQOSA-N 1 0 318.417 2.413 10 0 DEAERO COc1ncccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000180112628 199118623 /nfs/dbraw/zinc/11/86/23/199118623.db2.gz QVFDMIHDHGMTST-CVEARBPZSA-N 1 0 311.385 2.265 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H]1c1ccccc1 ZINC000180127188 199119940 /nfs/dbraw/zinc/11/99/40/199119940.db2.gz SJJFSCBEECCNBQ-YOEHRIQHSA-N 1 0 310.401 2.462 10 0 DEAERO CC(C)CSCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180205169 199130163 /nfs/dbraw/zinc/13/01/63/199130163.db2.gz UDEXZVQOZZTJLI-GFCCVEGCSA-N 1 0 316.492 2.374 10 0 DEAERO CCCn1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000180564836 199176992 /nfs/dbraw/zinc/17/69/92/199176992.db2.gz XSBSAGUMWJACCF-MRXNPFEDSA-N 1 0 300.406 2.326 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(C)on2)cc1OC ZINC000180851821 199218162 /nfs/dbraw/zinc/21/81/62/199218162.db2.gz XPWDTAHBLOQWAW-NSHDSACASA-N 1 0 319.361 2.290 10 0 DEAERO CCCc1ccccc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000181150101 199257707 /nfs/dbraw/zinc/25/77/07/199257707.db2.gz LJVWVWNQGIHUSS-OAHLLOKOSA-N 1 0 305.422 2.433 10 0 DEAERO C[C@H](C[NH2+]C1CC1)S(=O)(=O)N1CCCCc2ccccc21 ZINC000089049758 192720449 /nfs/dbraw/zinc/72/04/49/192720449.db2.gz WDHDSNJNBXQHSH-CYBMUJFWSA-N 1 0 308.447 2.300 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)C[C@H]1CCCO1 ZINC000089250751 192750212 /nfs/dbraw/zinc/75/02/12/192750212.db2.gz DUSHIOZVAWIPOF-GHMZBOCLSA-N 1 0 316.243 2.191 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Br)c(C)nn1C)[C@@H]1CCOC1 ZINC000089252186 192751411 /nfs/dbraw/zinc/75/14/11/192751411.db2.gz ZVIFZJJNNOIDCB-MNOVXSKESA-N 1 0 316.243 2.048 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@](C)([NH3+])CCOC ZINC000089292274 192761411 /nfs/dbraw/zinc/76/14/11/192761411.db2.gz NCCWANVSTUWMBW-GFCCVEGCSA-N 1 0 304.232 2.270 10 0 DEAERO CS(=O)(=O)c1ccc2[nH]c([C@@H]3CCCC[C@@H]3C[NH3+])nc2c1 ZINC000089383165 192777814 /nfs/dbraw/zinc/77/78/14/192777814.db2.gz CITFWXGRJVQTLN-ZYHUDNBSSA-N 1 0 307.419 2.199 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1CNc1ccccc1S(=O)(=O)C(F)F ZINC000089501213 192803405 /nfs/dbraw/zinc/80/34/05/192803405.db2.gz HQIYUDIBALNIMG-GHMZBOCLSA-N 1 0 318.389 2.470 10 0 DEAERO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186672550 199989236 /nfs/dbraw/zinc/98/92/36/199989236.db2.gz OQAGHCFUOFSHKU-LRDDRELGSA-N 1 0 313.401 2.307 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000186833616 200019099 /nfs/dbraw/zinc/01/90/99/200019099.db2.gz ICGNIURTWZAOSH-CJNGLKHVSA-N 1 0 304.434 2.477 10 0 DEAERO CCNC(=O)CCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000600130185 359656849 /nfs/dbraw/zinc/65/68/49/359656849.db2.gz VVKPSMZELDQMOF-INIZCTEOSA-N 1 0 323.481 2.017 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000187780600 200155481 /nfs/dbraw/zinc/15/54/81/200155481.db2.gz PUTYHBFOCVCSKT-UHFFFAOYSA-N 1 0 323.412 2.318 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)C[C@H](O)COCc2ccccc2)C1 ZINC000187928319 200178604 /nfs/dbraw/zinc/17/86/04/200178604.db2.gz PFVYINXGIYXIJE-NJAFHUGGSA-N 1 0 307.434 2.047 10 0 DEAERO CC(C)(C)OC(=O)CC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188093576 200193371 /nfs/dbraw/zinc/19/33/71/200193371.db2.gz KRAFODBVZJBYRH-KBPBESRZSA-N 1 0 311.447 2.488 10 0 DEAERO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@H]1c1cccs1 ZINC000188251135 200216580 /nfs/dbraw/zinc/21/65/80/200216580.db2.gz MXBCUJPOGIHEMU-LBPRGKRZSA-N 1 0 302.403 2.094 10 0 DEAERO C[C@@H]1CN(C(=O)C(C)(C)c2cccs2)CC[N@@H+]1CC(C)(C)O ZINC000188618323 200276464 /nfs/dbraw/zinc/27/64/64/200276464.db2.gz DRFIOQQDTZMKRD-CYBMUJFWSA-N 1 0 324.490 2.329 10 0 DEAERO COc1ccc2[nH]c(C(=O)NCC(C)(C)C[NH+](C)C)cc2c1 ZINC000188911990 200320596 /nfs/dbraw/zinc/32/05/96/200320596.db2.gz VTVLPGXNLJRGMU-UHFFFAOYSA-N 1 0 303.406 2.494 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccnc(F)c1F ZINC000189196374 200362798 /nfs/dbraw/zinc/36/27/98/200362798.db2.gz VGAMDEHARBIFID-CYBMUJFWSA-N 1 0 319.355 2.263 10 0 DEAERO CO[C@H]1C[N@H+](CC(=O)NCc2cccc(Cl)c2)CC[C@H]1C ZINC000189283506 200376228 /nfs/dbraw/zinc/37/62/28/200376228.db2.gz JNLVPAXAZOSGIS-DOMZBBRYSA-N 1 0 310.825 2.313 10 0 DEAERO COC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000189372476 200388498 /nfs/dbraw/zinc/38/84/98/200388498.db2.gz AHFPASWXBHKKFL-BBRMVZONSA-N 1 0 307.390 2.209 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NC[C@](C)(O)C1CCCCC1 ZINC000190531500 200552832 /nfs/dbraw/zinc/55/28/32/200552832.db2.gz BBXDTOJQQVLJTH-KRWDZBQOSA-N 1 0 305.422 2.209 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)Cc1ccc(Br)cc1 ZINC000038049680 283622588 /nfs/dbraw/zinc/62/25/88/283622588.db2.gz ZWJTYUWPJLSOLO-QWHCGFSZSA-N 1 0 311.223 2.378 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000292751069 223229541 /nfs/dbraw/zinc/22/95/41/223229541.db2.gz ILBZHYQTPFMWMY-MSOLQXFVSA-N 1 0 312.417 2.470 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1CC ZINC000193407071 201047810 /nfs/dbraw/zinc/04/78/10/201047810.db2.gz FADNSVRRSKQYMP-BLLLJJGKSA-N 1 0 310.463 2.088 10 0 DEAERO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000193623778 201090848 /nfs/dbraw/zinc/09/08/48/201090848.db2.gz JIEQIJNBLUEMBW-PRHODGIISA-N 1 0 315.186 2.202 10 0 DEAERO Cc1ncc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000628252455 366782644 /nfs/dbraw/zinc/78/26/44/366782644.db2.gz VUMHWAMOFUVHRF-SFHVURJKSA-N 1 0 315.417 2.364 10 0 DEAERO CCN(C)C(=O)CC[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611406206 361593058 /nfs/dbraw/zinc/59/30/58/361593058.db2.gz VVKSDFGTOMRGRX-INIZCTEOSA-N 1 0 320.433 2.385 10 0 DEAERO COC(=O)C(C)(C)[C@H]([NH2+]Cc1ccnn1C)c1ccccc1 ZINC000611404739 361593285 /nfs/dbraw/zinc/59/32/85/361593285.db2.gz CGNWPDYZIAQABG-OAHLLOKOSA-N 1 0 301.390 2.450 10 0 DEAERO Cc1nn(C)c(C)c1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448005273 239216505 /nfs/dbraw/zinc/21/65/05/239216505.db2.gz UFSLQAJSCYJWKI-CYBMUJFWSA-N 1 0 307.442 2.279 10 0 DEAERO C[C@@H]1CCC[C@H](n2nnc(C[NH3+])c2I)C1 ZINC000675051158 541285680 /nfs/dbraw/zinc/28/56/80/541285680.db2.gz BWDPXITXWKSHHQ-SFYZADRCSA-N 1 0 320.178 2.093 10 0 DEAERO Brc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCOC1)O2 ZINC000090903846 192943713 /nfs/dbraw/zinc/94/37/13/192943713.db2.gz OXZFRNQJAYWLLK-MFKMUULPSA-N 1 0 312.207 2.379 10 0 DEAERO CN1CC[C@@H]([NH2+]C[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000090903942 192943739 /nfs/dbraw/zinc/94/37/39/192943739.db2.gz FIFPBCMIWWZRGJ-OLZOCXBDSA-N 1 0 311.223 2.046 10 0 DEAERO CC(=O)N(C)c1ccccc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621636219 364483555 /nfs/dbraw/zinc/48/35/55/364483555.db2.gz QPOAKBUYLAPIBU-CQSZACIVSA-N 1 0 303.406 2.388 10 0 DEAERO CCOC(=O)c1cc(C[NH2+]C2CCC(NC(C)=O)CC2)[nH]c1C ZINC000449114268 240073944 /nfs/dbraw/zinc/07/39/44/240073944.db2.gz ZAJJUADCXNLKFA-UHFFFAOYSA-N 1 0 321.421 2.037 10 0 DEAERO CC1(C)[C@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@@H]2CCCO[C@@H]21 ZINC000449177921 240156674 /nfs/dbraw/zinc/15/66/74/240156674.db2.gz WPJPELVLYWGYLF-XHSDSOJGSA-N 1 0 323.458 2.383 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000091135100 193000983 /nfs/dbraw/zinc/00/09/83/193000983.db2.gz NOMMCOIBOHWDKZ-CYBMUJFWSA-N 1 0 302.403 2.110 10 0 DEAERO CN1CCOC[C@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000623712164 365141963 /nfs/dbraw/zinc/14/19/63/365141963.db2.gz ZOWLQPOWOIPUPN-GFCCVEGCSA-N 1 0 317.202 2.008 10 0 DEAERO CN(Cc1cccc(Cl)c1)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321124 193040344 /nfs/dbraw/zinc/04/03/44/193040344.db2.gz LXACOWCWQSANDP-CQSZACIVSA-N 1 0 311.857 2.404 10 0 DEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])N(C)Cc1cccc(Cl)c1 ZINC000091322724 193041080 /nfs/dbraw/zinc/04/10/80/193041080.db2.gz QORVQYZDAMBMDL-HNNXBMFYSA-N 1 0 311.857 2.358 10 0 DEAERO Cc1nn(C)c(C[C@@](C[NH3+])(c2ccccc2)[C@H](C)O)c1Cl ZINC000091327738 193042410 /nfs/dbraw/zinc/04/24/10/193042410.db2.gz GURJADZAYBJHOF-LRDDRELGSA-N 1 0 307.825 2.202 10 0 DEAERO Cc1csc(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000091361216 193045854 /nfs/dbraw/zinc/04/58/54/193045854.db2.gz XVWKZGSCKPGCGC-IHRRRGAJSA-N 1 0 307.463 2.421 10 0 DEAERO COc1c(Br)cc(Cl)cc1NC(=O)C1C[NH2+]C1 ZINC000091406466 193051483 /nfs/dbraw/zinc/05/14/83/193051483.db2.gz MPRICWHMZMYOKB-UHFFFAOYSA-N 1 0 319.586 2.269 10 0 DEAERO COc1ccc(C[NH2+]CC2CC(O)C2)cc1Br ZINC000091416251 193053139 /nfs/dbraw/zinc/05/31/39/193053139.db2.gz LYWNQDIIPZDYFA-UHFFFAOYSA-N 1 0 300.196 2.318 10 0 DEAERO Cc1nc(NC(=O)c2cc[nH+]c(NN)c2)ccc1Br ZINC000091508586 193067392 /nfs/dbraw/zinc/06/73/92/193067392.db2.gz UUEAEYFXFYSAPX-UHFFFAOYSA-N 1 0 322.166 2.085 10 0 DEAERO Cc1nc(NC(=O)[C@@H]([NH3+])CC(C)C)ccc1Br ZINC000091507176 193067452 /nfs/dbraw/zinc/06/74/52/193067452.db2.gz IIQVLNXXJPKKTL-JTQLQIEISA-N 1 0 300.200 2.464 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH2+]C)[C@@](C)(CC)N(C)C)c1Cl ZINC000091570420 193074287 /nfs/dbraw/zinc/07/42/87/193074287.db2.gz GUDJLHQACPVWIX-DZGCQCFKSA-N 1 0 300.878 2.497 10 0 DEAERO CCS(=O)(=O)CCC[C@@H](O)C(C)(C)[NH+]1CCCCCC1 ZINC000091567703 193074903 /nfs/dbraw/zinc/07/49/03/193074903.db2.gz YHENXZIMYDHXPL-CQSZACIVSA-N 1 0 305.484 2.217 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@@](C)(CC)N1CCCC1 ZINC000091607464 193079243 /nfs/dbraw/zinc/07/92/43/193079243.db2.gz IDGTYWNYUOIZPP-LSDHHAIUSA-N 1 0 304.500 2.054 10 0 DEAERO CC[C@@](C)([C@H]([NH2+]C)c1cc(Cl)cnc1N)N1CCOCC1 ZINC000091612313 193079468 /nfs/dbraw/zinc/07/94/68/193079468.db2.gz PYGMOOMRUARWFY-HIFRSBDPSA-N 1 0 312.845 2.079 10 0 DEAERO CC[C@](C)([C@H](Cc1ccncc1Cl)[NH2+]C)N1CCOCC1 ZINC000091612348 193079717 /nfs/dbraw/zinc/07/97/17/193079717.db2.gz DVQIQSGVOIWSFB-JKSUJKDBSA-N 1 0 311.857 2.366 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Br)s1 ZINC000091667433 193088596 /nfs/dbraw/zinc/08/85/96/193088596.db2.gz FZBXFOIFCQQZPV-UWVGGRQHSA-N 1 0 319.268 2.492 10 0 DEAERO c1cc(CN2CCO[C@@H](C[NH2+][C@@H]3CCCSCC3)C2)ccn1 ZINC000624264246 365360373 /nfs/dbraw/zinc/36/03/73/365360373.db2.gz WXJJRVTUMYTIGG-SJORKVTESA-N 1 0 321.490 2.158 10 0 DEAERO C[NH2+][C@@H](Cc1cccc(C(F)(F)F)c1)[C@@H]1CN(C)CCO1 ZINC000091717714 193096583 /nfs/dbraw/zinc/09/65/83/193096583.db2.gz QWSPGSWTADQVQV-KBPBESRZSA-N 1 0 302.340 2.167 10 0 DEAERO C[NH2+][C@H](Cc1cc(Cl)ccc1Cl)[C@H]1CN(C)CCO1 ZINC000091717753 193097515 /nfs/dbraw/zinc/09/75/15/193097515.db2.gz JWUSVPZPLNYOIW-ZIAGYGMSSA-N 1 0 303.233 2.455 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)C1(N(C)C)CCCC1 ZINC000091638439 193082289 /nfs/dbraw/zinc/08/22/89/193082289.db2.gz JXLXNNVUZULDJJ-AWEZNQCLSA-N 1 0 304.500 2.054 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(F)cc1Br ZINC000624235609 365344936 /nfs/dbraw/zinc/34/49/36/365344936.db2.gz NDUSVYXATKWUMG-AQUOVQTQSA-N 1 0 318.186 2.389 10 0 DEAERO CN(C(=O)c1cc(Br)cn1C)C1CCC([NH3+])CC1 ZINC000091845306 193116954 /nfs/dbraw/zinc/11/69/54/193116954.db2.gz KPZUAQFHUZOSBU-UHFFFAOYSA-N 1 0 314.227 2.130 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000091850586 193117567 /nfs/dbraw/zinc/11/75/67/193117567.db2.gz AYGRYKNJKJTOLI-UHFFFAOYSA-N 1 0 314.426 2.247 10 0 DEAERO CC(C)C[C@H](C)NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000091889032 193122296 /nfs/dbraw/zinc/12/22/96/193122296.db2.gz OSLUCVNOGMFLAW-DLBZAZTESA-N 1 0 324.513 2.233 10 0 DEAERO CC[C@@H](C[NH3+])[C@H](O)c1cc(OC)c(OC)cc1Br ZINC000091908927 193124821 /nfs/dbraw/zinc/12/48/21/193124821.db2.gz QBNSDBNFPZLEGL-SDBXPKJASA-N 1 0 318.211 2.485 10 0 DEAERO C[C@@](O)(c1ccc(Br)cc1)[C@]1(C[NH3+])CCOC1 ZINC000091905808 193125047 /nfs/dbraw/zinc/12/50/47/193125047.db2.gz XUGKHRZTMDFGRK-OLZOCXBDSA-N 1 0 300.196 2.022 10 0 DEAERO COc1cc(Br)c([C@H](O)C(C)(C)C[NH3+])cc1OC ZINC000091908918 193125322 /nfs/dbraw/zinc/12/53/22/193125322.db2.gz SZLQPNRYSPBUQH-LBPRGKRZSA-N 1 0 318.211 2.485 10 0 DEAERO c1c(CN2CCC[C@H]([NH+]3CCCC3)CC2)nnn1CC1CC1 ZINC000450429268 241819376 /nfs/dbraw/zinc/81/93/76/241819376.db2.gz ZGEYLQRDVQOSMR-KRWDZBQOSA-N 1 0 303.454 2.138 10 0 DEAERO CO[C@H]1CN(C(=O)c2cc(Cl)ccc2F)[C@@](C)(C[NH3+])C1 ZINC000630367018 367614380 /nfs/dbraw/zinc/61/43/80/367614380.db2.gz NJHZTXQKHDXSKL-QMTHXVAHSA-N 1 0 300.761 2.057 10 0 DEAERO CO[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630374011 367616521 /nfs/dbraw/zinc/61/65/21/367616521.db2.gz MESWWRSVLPWZOU-YGRLFVJLSA-N 1 0 300.761 2.057 10 0 DEAERO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2C(N)=S)C[C@H]1C ZINC000092085438 193154851 /nfs/dbraw/zinc/15/48/51/193154851.db2.gz SQRPOQICRGKWRH-VXGBXAGGSA-N 1 0 305.447 2.237 10 0 DEAERO Brc1ccccc1-n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000630587677 367741808 /nfs/dbraw/zinc/74/18/08/367741808.db2.gz XKAFJYOCPJIKRE-JTQLQIEISA-N 1 0 307.195 2.182 10 0 DEAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000092098926 193158095 /nfs/dbraw/zinc/15/80/95/193158095.db2.gz ULOZMOLVINYCHR-AWEZNQCLSA-N 1 0 318.808 2.441 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2cc(C[NH3+])ccc2Cl)C[C@@H]1C ZINC000092113467 193161214 /nfs/dbraw/zinc/16/12/14/193161214.db2.gz JSHYZAAZYKZRBK-UWVGGRQHSA-N 1 0 302.827 2.075 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)c(F)c1 ZINC000092115492 193162926 /nfs/dbraw/zinc/16/29/26/193162926.db2.gz PGGAUDAOKNPCDO-GFCCVEGCSA-N 1 0 314.426 2.356 10 0 DEAERO CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115706 193163374 /nfs/dbraw/zinc/16/33/74/193163374.db2.gz KQSDVMQZTIZDOH-LLVKDONJSA-N 1 0 302.415 2.354 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)C2CCCC2)c(F)c1 ZINC000092115598 193163515 /nfs/dbraw/zinc/16/35/15/193163515.db2.gz DYYWAVDRSCZBMN-UHFFFAOYSA-N 1 0 314.426 2.498 10 0 DEAERO c1oc2ccccc2c1CNCc1cn(C[C@H]2CCOC2)nn1 ZINC000631072275 368001458 /nfs/dbraw/zinc/00/14/58/368001458.db2.gz QQFXVDBRLHANEG-CYBMUJFWSA-N 1 0 312.373 2.351 10 0 DEAERO c1c(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)nnn1C[C@H]1CCOC1 ZINC000631079019 368005847 /nfs/dbraw/zinc/00/58/47/368005847.db2.gz CISAYAPZWSOGAG-JFIYKMOQSA-N 1 0 312.417 2.035 10 0 DEAERO C1=CC[NH+]([C@H]2CCN(c3nccn4nc(C5CCC5)cc34)C2)C1 ZINC000631130199 368033643 /nfs/dbraw/zinc/03/36/43/368033643.db2.gz GQBSUQFKVICGRO-HNNXBMFYSA-N 1 0 309.417 2.447 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](C(=O)NCc2cc(F)ccc2Br)C1 ZINC000092205792 193173168 /nfs/dbraw/zinc/17/31/68/193173168.db2.gz VQIPGQFHZNOFHX-GZMMTYOYSA-N 1 0 313.170 2.108 10 0 DEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4ccccc4S3)C[C@@H]2C1 ZINC000092231738 193177408 /nfs/dbraw/zinc/17/74/08/193177408.db2.gz LNOSSDHYUOMILT-HOSILWTGSA-N 1 0 302.443 2.289 10 0 DEAERO C[C@@H]1CN(CC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC000631843111 368419604 /nfs/dbraw/zinc/41/96/04/368419604.db2.gz JJAIKUPKNFTFRQ-ZJUUUORDSA-N 1 0 316.232 2.459 10 0 DEAERO c1ccc(-c2noc(CCN3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886121 368440933 /nfs/dbraw/zinc/44/09/33/368440933.db2.gz FXIXDTLOETZCDI-JKSUJKDBSA-N 1 0 312.417 2.353 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000631968743 368471993 /nfs/dbraw/zinc/47/19/93/368471993.db2.gz WYNZVHBVEXQPSD-RKDXNWHRSA-N 1 0 323.245 2.209 10 0 DEAERO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccsc2)C1 ZINC000631998296 368486214 /nfs/dbraw/zinc/48/62/14/368486214.db2.gz WZVQDEJRMRTSON-NSHDSACASA-N 1 0 308.428 2.074 10 0 DEAERO O=C(N[C@@H]1CCOc2ccc(F)cc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247657959 284082050 /nfs/dbraw/zinc/08/20/50/284082050.db2.gz YZEQHOMVXJTFHL-DZGCQCFKSA-N 1 0 319.380 2.139 10 0 DEAERO CN(CC(C)(C)O)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000092958494 193188526 /nfs/dbraw/zinc/18/85/26/193188526.db2.gz CBCRLRFIUPJVRJ-LBPRGKRZSA-N 1 0 301.228 2.152 10 0 DEAERO COc1ccc([C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C(C)C)cc1 ZINC000261740391 203106156 /nfs/dbraw/zinc/10/61/56/203106156.db2.gz DHURJCYQLPVKFU-OWCLPIDISA-N 1 0 306.406 2.015 10 0 DEAERO CSc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cc1 ZINC000261891644 203145883 /nfs/dbraw/zinc/14/58/83/203145883.db2.gz GNOKKLVKZZKLBK-CABCVRRESA-N 1 0 316.430 2.084 10 0 DEAERO [NH3+]C[C@@H](c1cc(Cl)cs1)N1CCN(c2ncccn2)CC1 ZINC000093095247 193203023 /nfs/dbraw/zinc/20/30/23/193203023.db2.gz XXPGIWRGTXKCLV-LBPRGKRZSA-N 1 0 323.853 2.014 10 0 DEAERO COCCN([C@H](C)COC)[C@@H](C[NH3+])c1cc(Cl)cs1 ZINC000093095613 193203296 /nfs/dbraw/zinc/20/32/96/193203296.db2.gz DJCZVQFSAZLMTC-PWSUYJOCSA-N 1 0 306.859 2.385 10 0 DEAERO CCn1ncnc1C[C@@H](C[NH3+])c1ccccc1Br ZINC000093181531 193212506 /nfs/dbraw/zinc/21/25/06/193212506.db2.gz MVNVRAAZKHCPGD-JTQLQIEISA-N 1 0 309.211 2.346 10 0 DEAERO C[NH+]1CCC2(CC1)CC(=O)NC(=O)[C@@H]2c1cccc(Cl)c1 ZINC000093170801 193211394 /nfs/dbraw/zinc/21/13/94/193211394.db2.gz MEPZDEDNXAQTGB-AWEZNQCLSA-N 1 0 306.793 2.182 10 0 DEAERO Cc1cccc(-c2cccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)c2)c1 ZINC000262485724 203306653 /nfs/dbraw/zinc/30/66/53/203306653.db2.gz YRFUYXXOISHJCF-QZTJIDSGSA-N 1 0 310.397 2.001 10 0 DEAERO CCS(=O)(=O)CCCC1(c2ccccc2Cl)C[NH2+]C1 ZINC000093196805 193214675 /nfs/dbraw/zinc/21/46/75/193214675.db2.gz UFOZXUQKYCLKMI-UHFFFAOYSA-N 1 0 301.839 2.396 10 0 DEAERO CS(=O)(=O)Nc1ccc(Cl)c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093212517 193217176 /nfs/dbraw/zinc/21/71/76/193217176.db2.gz UGMGFAFKTLSAOE-NXEZZACHSA-N 1 0 317.842 2.393 10 0 DEAERO CCOCC[N@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000093313878 193229516 /nfs/dbraw/zinc/22/95/16/193229516.db2.gz NIRWTFJFEBUTGI-HNNXBMFYSA-N 1 0 301.814 2.186 10 0 DEAERO COc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc(OC)c1OC ZINC000093479861 193257048 /nfs/dbraw/zinc/25/70/48/193257048.db2.gz NYIBYMUYVMOYHS-VMZNBEPHSA-N 1 0 321.417 2.305 10 0 DEAERO [NH2+]=C1NC[C@@H](c2ccccc2Br)N1C[C@@H]1CCCO1 ZINC000093378123 193240963 /nfs/dbraw/zinc/24/09/63/193240963.db2.gz KXLXYILXEHBWHE-GWCFXTLKSA-N 1 0 324.222 2.300 10 0 DEAERO COCC[C@@]1(C)C[NH+]=C(N)N1c1ccccc1Br ZINC000093382570 193241124 /nfs/dbraw/zinc/24/11/24/193241124.db2.gz IYMMQKAJGZVQCU-ZDUSSCGKSA-N 1 0 312.211 2.379 10 0 DEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1[C@H]1CCCN(C(C)C)C1=O ZINC000248770262 284163523 /nfs/dbraw/zinc/16/35/23/284163523.db2.gz SNOXGZGFXOLFEW-VGWMRTNUSA-N 1 0 322.449 2.192 10 0 DEAERO COc1cc(C[N@H+](C)CC2(O)CCCC2)cc2c1OCCO2 ZINC000093503054 193260094 /nfs/dbraw/zinc/26/00/94/193260094.db2.gz MXUCGWDYJFBVLL-UHFFFAOYSA-N 1 0 307.390 2.203 10 0 DEAERO C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(S(C)(=O)=O)nc1 ZINC000093514966 193263197 /nfs/dbraw/zinc/26/31/97/193263197.db2.gz WFFARQHKAORRGK-QWHCGFSZSA-N 1 0 311.451 2.208 10 0 DEAERO COc1ccc(OC)c([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)c1 ZINC000093523183 193263468 /nfs/dbraw/zinc/26/34/68/193263468.db2.gz BRFRIIDOORIBSR-LLVKDONJSA-N 1 0 315.435 2.178 10 0 DEAERO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000093530909 193264992 /nfs/dbraw/zinc/26/49/92/193264992.db2.gz RNXKNZNPUBQFIC-GFCCVEGCSA-N 1 0 310.444 2.025 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093618960 193275671 /nfs/dbraw/zinc/27/56/71/193275671.db2.gz TZSQLCDJZPUSBC-WCQYABFASA-N 1 0 305.344 2.433 10 0 DEAERO NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1ccccn1 ZINC000093629137 193275835 /nfs/dbraw/zinc/27/58/35/193275835.db2.gz FUXMINFODIYHFP-MLGOLLRUSA-N 1 0 305.447 2.340 10 0 DEAERO CCC[NH2+][C@H](CC)[C@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698146 193292839 /nfs/dbraw/zinc/29/28/39/193292839.db2.gz URICSEFWOMBIGY-QLFBSQMISA-N 1 0 304.500 2.462 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)cc1 ZINC000093699880 193293916 /nfs/dbraw/zinc/29/39/16/193293916.db2.gz XLZALGNWQMFKQO-HOCLYGCPSA-N 1 0 310.463 2.317 10 0 DEAERO CCC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCC1 ZINC000093700396 193293950 /nfs/dbraw/zinc/29/39/50/193293950.db2.gz AQQSJTUFBFESEH-DZGCQCFKSA-N 1 0 302.484 2.216 10 0 DEAERO CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000093700061 193294266 /nfs/dbraw/zinc/29/42/66/193294266.db2.gz BWWPAAHHAWCWPS-ZFWWWQNUSA-N 1 0 302.484 2.216 10 0 DEAERO CC[C@H](C[NH2+]C(C)(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701439 193294589 /nfs/dbraw/zinc/29/45/89/193294589.db2.gz USZXSPTTZJZFRF-KBPBESRZSA-N 1 0 304.500 2.462 10 0 DEAERO CCC[C@H](C[NH2+]C(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701377 193294761 /nfs/dbraw/zinc/29/47/61/193294761.db2.gz ITYACBLTEJABRQ-LSDHHAIUSA-N 1 0 304.500 2.462 10 0 DEAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@H](N(CC(F)(F)F)C(C)C)C1 ZINC000093751258 193300187 /nfs/dbraw/zinc/30/01/87/193300187.db2.gz RZWJRVIPBHTFBH-AAEUAGOBSA-N 1 0 309.376 2.035 10 0 DEAERO NC(=O)[C@@]1([NH3+])CCC[C@H](Sc2ccc(C(F)(F)F)cn2)C1 ZINC000093777633 193305192 /nfs/dbraw/zinc/30/51/92/193305192.db2.gz XXJHPCPYGRAJQC-JOYOIKCWSA-N 1 0 319.352 2.318 10 0 DEAERO Cc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)ccc1-n1cncn1 ZINC000093643776 193280815 /nfs/dbraw/zinc/28/08/15/193280815.db2.gz WIPCLKWERIDCQP-WBVHZDCISA-N 1 0 313.449 2.490 10 0 DEAERO C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2N2CCOCC2)CCN1C ZINC000093644808 193281537 /nfs/dbraw/zinc/28/15/37/193281537.db2.gz MPYZHOQSAUYFTH-WMZOPIPTSA-N 1 0 317.477 2.438 10 0 DEAERO COCC[NH2+]C[C@@](C)(O)Cc1cc(F)cc(Br)c1 ZINC000094004666 193337670 /nfs/dbraw/zinc/33/76/70/193337670.db2.gz OORZQFXMGANUQU-ZDUSSCGKSA-N 1 0 320.202 2.118 10 0 DEAERO CC[NH2+][C@@H](c1ccc(Cl)c(OC)c1)[C@H]1CN(C)CCN1C ZINC000094009139 193338390 /nfs/dbraw/zinc/33/83/90/193338390.db2.gz MYTSIOIJHPGMTE-ZBFHGGJFSA-N 1 0 311.857 2.245 10 0 DEAERO COC(=O)[C@@]1(NC2CC2)CC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093831846 193314404 /nfs/dbraw/zinc/31/44/04/193314404.db2.gz IGQVLEAJDIDDBA-DGCLKSJQSA-N 1 0 308.344 2.087 10 0 DEAERO NC(=O)[C@@]1([NH3+])CC[C@H](Sc2cccc(Br)c2)C1 ZINC000093852770 193319153 /nfs/dbraw/zinc/31/91/53/193319153.db2.gz KAHMPLRQHCQHFP-CMPLNLGQSA-N 1 0 315.236 2.277 10 0 DEAERO NC(=O)[C@]1([NH2+]C2CC2)CC[C@@H](Sc2ncccc2Cl)C1 ZINC000093854119 193319898 /nfs/dbraw/zinc/31/98/98/193319898.db2.gz JTUGHOBCIDXPEF-YGRLFVJLSA-N 1 0 311.838 2.356 10 0 DEAERO CCN1CCO[C@@H]([C@@H](Cc2c(F)cccc2Cl)[NH2+]C)C1 ZINC000093914376 193328961 /nfs/dbraw/zinc/32/89/61/193328961.db2.gz IIIKPEFHLWAMJK-HUUCEWRRSA-N 1 0 300.805 2.330 10 0 DEAERO CC(C)C[C@H]([NH2+]Cc1cc(F)c(O)c(F)c1)C(=O)N(C)C ZINC000094265727 193355709 /nfs/dbraw/zinc/35/57/09/193355709.db2.gz WYUBDYNOFLVUJC-ZDUSSCGKSA-N 1 0 300.349 2.263 10 0 DEAERO CCC[NH2+][C@@H]1[C@H](S(=O)(=O)CCCOC)CCCC1(C)C ZINC000094281913 193355916 /nfs/dbraw/zinc/35/59/16/193355916.db2.gz WXWWIAUJHJWTLX-ZIAGYGMSSA-N 1 0 305.484 2.385 10 0 DEAERO CCC[NH2+][C@@H]1[C@@H](CN2CCS(=O)CC2)CCCC1(C)C ZINC000094287356 193356107 /nfs/dbraw/zinc/35/61/07/193356107.db2.gz IXJUUXRPGRRPGH-HUUCEWRRSA-N 1 0 300.512 2.245 10 0 DEAERO C[NH2+][C@H]1[C@@H](CN2CCN(c3nccs3)CC2)CCC1(C)C ZINC000094315989 193359305 /nfs/dbraw/zinc/35/93/05/193359305.db2.gz SKPZDFSHAIAGIO-KGLIPLIRSA-N 1 0 308.495 2.289 10 0 DEAERO CC1(C)CCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000094326153 193359466 /nfs/dbraw/zinc/35/94/66/193359466.db2.gz FAZCRAIAMDEISE-ZDUSSCGKSA-N 1 0 300.399 2.141 10 0 DEAERO CC[C@@H](C)NC(=O)[C@@H](C)Oc1c(F)cc(C[NH2+]C)cc1F ZINC000094346448 193363309 /nfs/dbraw/zinc/36/33/09/193363309.db2.gz WLGKNTHAISUGCG-NXEZZACHSA-N 1 0 300.349 2.366 10 0 DEAERO CC(C)CNC(=O)[C@H](C)Oc1c(F)cc(CC[NH3+])cc1F ZINC000094349739 193363389 /nfs/dbraw/zinc/36/33/89/193363389.db2.gz RBFVMDZOAVHLJY-JTQLQIEISA-N 1 0 300.349 2.006 10 0 DEAERO CS(=O)(=O)CCCOc1c(F)cc(C[NH2+]C2CC2)cc1F ZINC000094347673 193363612 /nfs/dbraw/zinc/36/36/12/193363612.db2.gz QNOIURALQUTGAT-UHFFFAOYSA-N 1 0 319.373 2.030 10 0 DEAERO CC[NH2+]Cc1cc(F)c(OCC(=O)N(CC)CC)c(F)c1 ZINC000094346985 193363813 /nfs/dbraw/zinc/36/38/13/193363813.db2.gz HFRDUCWOJLVDAC-UHFFFAOYSA-N 1 0 300.349 2.322 10 0 DEAERO COCC[NH2+]C[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000094053915 193341480 /nfs/dbraw/zinc/34/14/80/193341480.db2.gz JXEGREGGCNMTDB-NSHDSACASA-N 1 0 301.793 2.327 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(C)c(Br)cn1 ZINC000094063500 193342237 /nfs/dbraw/zinc/34/22/37/193342237.db2.gz UCXSJYYARQTNJV-UHFFFAOYSA-N 1 0 300.200 2.479 10 0 DEAERO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])ncc1Br ZINC000094063640 193342469 /nfs/dbraw/zinc/34/24/69/193342469.db2.gz VRXFZLURSXXVOC-NXEZZACHSA-N 1 0 312.211 2.466 10 0 DEAERO CCOC(=O)COC[C@@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000094071863 193343608 /nfs/dbraw/zinc/34/36/08/193343608.db2.gz WEXSBFWLLPEXCO-LLVKDONJSA-N 1 0 320.158 2.168 10 0 DEAERO Cc1cscc1[C@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000094247456 193354691 /nfs/dbraw/zinc/35/46/91/193354691.db2.gz YZDYLKXGXVILER-OAHLLOKOSA-N 1 0 300.383 2.259 10 0 DEAERO CCC[NH2+][C@H](c1cnccn1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641832 193389050 /nfs/dbraw/zinc/38/90/50/193389050.db2.gz NKAXDFXMYHNOKM-IPYPFGDCSA-N 1 0 311.451 2.121 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)c(O[C@H](C)[C@@H](C)O)c(OC)c1 ZINC000094653296 193390965 /nfs/dbraw/zinc/39/09/65/193390965.db2.gz AXZFTRKWMSQCKC-GHMZBOCLSA-N 1 0 317.813 2.233 10 0 DEAERO O=C(CCC[NH2+][C@@H]1CCOC2(CCSCC2)C1)NC1CC1 ZINC000094375070 193366939 /nfs/dbraw/zinc/36/69/39/193366939.db2.gz FVPQINFTXWYSGQ-CQSZACIVSA-N 1 0 312.479 2.080 10 0 DEAERO CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094368582 193366962 /nfs/dbraw/zinc/36/69/62/193366962.db2.gz OLMJMVYXRZTGTI-KGLIPLIRSA-N 1 0 314.495 2.326 10 0 DEAERO NC(=S)[C@H]1CCC[N@@H+]1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094376084 193367197 /nfs/dbraw/zinc/36/71/97/193367197.db2.gz SEPMVETULHROHJ-VXGBXAGGSA-N 1 0 300.493 2.182 10 0 DEAERO c1c(C[NH2+]C2CC2)nnn1[C@H]1CCOC2(CCSCC2)C1 ZINC000094419103 193368771 /nfs/dbraw/zinc/36/87/71/193368771.db2.gz RWTSBGOGERKPHH-AWEZNQCLSA-N 1 0 308.451 2.147 10 0 DEAERO COC(=O)C[N@H+](C(C)C)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094410604 193368904 /nfs/dbraw/zinc/36/89/04/193368904.db2.gz XGWOWMPHWMAHGB-CYBMUJFWSA-N 1 0 301.452 2.315 10 0 DEAERO CC(C)[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CC(C)(C)S(C)(=O)=O ZINC000094435237 193370152 /nfs/dbraw/zinc/37/01/52/193370152.db2.gz HVXLTWNEPDQVME-HUUCEWRRSA-N 1 0 316.511 2.004 10 0 DEAERO CCOC(=O)[C@@]1(NCC[NH+](CC)CC)CCCS[C@H]1C ZINC000094479800 193373122 /nfs/dbraw/zinc/37/31/22/193373122.db2.gz QPBOANDXGQXIIY-DZGCQCFKSA-N 1 0 302.484 2.135 10 0 DEAERO CN(C[C@H]1CCC[N@@H+]1C)c1nc(Br)cn2ccnc12 ZINC000094491367 193373274 /nfs/dbraw/zinc/37/32/74/193373274.db2.gz RXXWEQCGRNUGJW-SNVBAGLBSA-N 1 0 324.226 2.022 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CN2CCN1CC2 ZINC000094509389 193375699 /nfs/dbraw/zinc/37/56/99/193375699.db2.gz CXPYPOPWBXYJAV-GJZGRUSLSA-N 1 0 314.260 2.124 10 0 DEAERO C[NH2+][C@@H](Cc1csc2ccccc12)[C@@H]1CN2CCN1CC2 ZINC000094509185 193375792 /nfs/dbraw/zinc/37/57/92/193375792.db2.gz GIDIRLLVWAELTL-HOTGVXAUSA-N 1 0 301.459 2.032 10 0 DEAERO C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CN2CCN1CC2 ZINC000094509336 193376090 /nfs/dbraw/zinc/37/60/90/193376090.db2.gz NGHYRYZZCSDAQA-ZIAGYGMSSA-N 1 0 300.233 2.254 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000094549865 193378872 /nfs/dbraw/zinc/37/88/72/193378872.db2.gz SZMUVZNUFYBVGU-WCBMZHEXSA-N 1 0 315.186 2.398 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000094550255 193379023 /nfs/dbraw/zinc/37/90/23/193379023.db2.gz XGXJSIUBBYSOKI-SCZZXKLOSA-N 1 0 323.245 2.351 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094567691 193381055 /nfs/dbraw/zinc/38/10/55/193381055.db2.gz HDUMKXPSDYBEMZ-MFKMUULPSA-N 1 0 317.216 2.458 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)O1 ZINC000094571692 193381411 /nfs/dbraw/zinc/38/14/11/193381411.db2.gz GTZWNBCOELANIU-GZMMTYOYSA-N 1 0 306.259 2.289 10 0 DEAERO C[N@H+](CCNC(=O)c1cc(C(F)(F)F)ccc1N)C1CC1 ZINC000094596155 193382373 /nfs/dbraw/zinc/38/23/73/193382373.db2.gz MGCVLPWNVHMSIP-UHFFFAOYSA-N 1 0 301.312 2.112 10 0 DEAERO CC[N@@H+]1CC[C@H](CNc2nc3c(Br)cccn3n2)C1 ZINC000094603159 193384119 /nfs/dbraw/zinc/38/41/19/193384119.db2.gz DFKZRVFJMVPHDR-SNVBAGLBSA-N 1 0 324.226 2.246 10 0 DEAERO Cc1csc(C[C@H](C[NH2+]C(C)C)[C@H]2CCS(=O)(=O)C2)n1 ZINC000094976315 193410740 /nfs/dbraw/zinc/41/07/40/193410740.db2.gz ZKMXHQNBZGXKLT-QWHCGFSZSA-N 1 0 316.492 2.043 10 0 DEAERO CCC[NH2+][C@@H](Cc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000094713262 193393257 /nfs/dbraw/zinc/39/32/57/193393257.db2.gz QRKVPPXFLKQCIR-JSGCOSHPSA-N 1 0 317.401 2.310 10 0 DEAERO CC[NH2+][C@H](C)c1cc(F)c(C)cc1N(C)CCS(C)(=O)=O ZINC000094767022 193396073 /nfs/dbraw/zinc/39/60/73/193396073.db2.gz LNXXOLWVYSHWBQ-GFCCVEGCSA-N 1 0 316.442 2.285 10 0 DEAERO C[C@@H](C[NH2+]Cc1cccc(C(N)=O)c1)N(C)C(=O)OC(C)(C)C ZINC000282635880 217141366 /nfs/dbraw/zinc/14/13/66/217141366.db2.gz GQBOZGOOZAOFJK-LBPRGKRZSA-N 1 0 321.421 2.131 10 0 DEAERO C[C@@H](C[NH2+]Cc1c(Cl)cnn1C)N(C)C(=O)OC(C)(C)C ZINC000282836036 217282756 /nfs/dbraw/zinc/28/27/56/217282756.db2.gz OKUUSPXITIQLDX-JTQLQIEISA-N 1 0 316.833 2.419 10 0 DEAERO [NH3+]CCS[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1=O ZINC000016900578 182063222 /nfs/dbraw/zinc/06/32/22/182063222.db2.gz POOKCJKNRNCBRM-CQSZACIVSA-N 1 0 300.383 2.164 10 0 DEAERO CCC[NH2+][C@H](c1c(Br)cnn1C)[C@H]1CCCO1 ZINC000160304999 197399445 /nfs/dbraw/zinc/39/94/45/197399445.db2.gz ABYBHHWWMYNHAA-MNOVXSKESA-N 1 0 302.216 2.402 10 0 DEAERO CC[C@@H](CO)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000020194433 182196307 /nfs/dbraw/zinc/19/63/07/182196307.db2.gz NAOCUGPGCOVODP-VIFPVBQESA-N 1 0 304.184 2.024 10 0 DEAERO CC(C)(C[NH2+]Cc1ccc(Br)c(F)c1)OCCO ZINC000288564850 220242112 /nfs/dbraw/zinc/24/21/12/220242112.db2.gz ZALQPMRPIDFGTI-UHFFFAOYSA-N 1 0 320.202 2.465 10 0 DEAERO COc1cc(C[NH3+])cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000020470682 182221732 /nfs/dbraw/zinc/22/17/32/182221732.db2.gz HEOFBSUCMHLHRB-UHFFFAOYSA-N 1 0 300.786 2.101 10 0 in-vitro DEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(F)ccc1Cl ZINC000097896633 193765342 /nfs/dbraw/zinc/76/53/42/193765342.db2.gz XXMANOLUOLDOJK-FGWVZKOKSA-N 1 0 318.801 2.122 10 0 DEAERO Cc1ccccc1NC(=O)C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000022999133 182344263 /nfs/dbraw/zinc/34/42/63/182344263.db2.gz PPKQLAAVDAVNDD-UHFFFAOYSA-N 1 0 317.433 2.170 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)Cn2cc3ccccc3n2)CC1 ZINC000530885326 284479315 /nfs/dbraw/zinc/47/93/15/284479315.db2.gz RNIVOCMUSHVZBE-UHFFFAOYSA-N 1 0 314.433 2.275 10 0 DEAERO O=C([C@@H]1Cc2ccccc2O1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171583996 284534477 /nfs/dbraw/zinc/53/44/77/284534477.db2.gz HYUOQJGVPIHAEQ-WMZOPIPTSA-N 1 0 314.429 2.467 10 0 DEAERO CC(C)[NH2+]C[C@H](O)COc1ccc(F)cc1Br ZINC000036950984 182854648 /nfs/dbraw/zinc/85/46/48/182854648.db2.gz KCLZAQNYKZTUGX-JTQLQIEISA-N 1 0 306.175 2.326 10 0 DEAERO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000037187953 182871134 /nfs/dbraw/zinc/87/11/34/182871134.db2.gz SSOWDNFXORGGFP-BXKDBHETSA-N 1 0 301.408 2.139 10 0 DEAERO COC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000458247535 248230997 /nfs/dbraw/zinc/23/09/97/248230997.db2.gz XPSMDMGDAPSMOC-DLBZAZTESA-N 1 0 319.449 2.498 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CC[C@H](C)O2)CC1 ZINC000459171142 248590651 /nfs/dbraw/zinc/59/06/51/248590651.db2.gz PSLWLQZMNQLALM-HOCLYGCPSA-N 1 0 311.470 2.317 10 0 DEAERO CCOc1cc(C[NH2+]C)cc(Br)c1OC[C@@H](C)O ZINC000037712100 182919273 /nfs/dbraw/zinc/91/92/73/182919273.db2.gz BLJDTAGVACTSLO-SECBINFHSA-N 1 0 318.211 2.327 10 0 DEAERO CCCN1C(=S)N=NC1N1CCC([NH+]2CCCCC2)CC1 ZINC000040694333 183119331 /nfs/dbraw/zinc/11/93/31/183119331.db2.gz CJOILICHEDUJAW-UHFFFAOYSA-N 1 0 309.483 2.432 10 0 DEAERO O=C(NC[C@H](c1ccco1)[NH+]1CCCCCC1)N1CCOCC1 ZINC000040614487 183109031 /nfs/dbraw/zinc/10/90/31/183109031.db2.gz WWBOIFHBWLVMFS-OAHLLOKOSA-N 1 0 321.421 2.239 10 0 DEAERO CC[NH+]1CCN(CCNc2ccccc2Br)CC1 ZINC000041563173 183203170 /nfs/dbraw/zinc/20/31/70/183203170.db2.gz QNOXJEDEONNRPZ-UHFFFAOYSA-N 1 0 312.255 2.499 10 0 DEAERO COC[C@H](Cc1ccccc1)[NH2+]CCNC(=O)c1ccccc1 ZINC000162531339 291682216 /nfs/dbraw/zinc/68/22/16/291682216.db2.gz ZSOBGHFFTUGFEM-SFHVURJKSA-N 1 0 312.413 2.264 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000041924800 183225799 /nfs/dbraw/zinc/22/57/99/183225799.db2.gz GQEAFBLNRWSLMI-BXUZGUMPSA-N 1 0 321.396 2.098 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(C)ccc1C ZINC000041604002 183209323 /nfs/dbraw/zinc/20/93/23/183209323.db2.gz BFDBMQAGFVLOFA-AWEZNQCLSA-N 1 0 305.422 2.088 10 0 DEAERO C[NH+](C)CCCCNc1nc2c(cc1C(N)=S)CCCC2 ZINC000041681094 183216013 /nfs/dbraw/zinc/21/60/13/183216013.db2.gz ZEYZAJPFDFUFSX-UHFFFAOYSA-N 1 0 306.479 2.348 10 0 DEAERO CN(CC1CCOCC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000162681641 291683871 /nfs/dbraw/zinc/68/38/71/291683871.db2.gz ZTXWLTIDEOEZPD-KRWDZBQOSA-N 1 0 304.434 2.044 10 0 DEAERO CC(C)[N@H+](CCO)CCCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000042478143 183275547 /nfs/dbraw/zinc/27/55/47/183275547.db2.gz MVKYOJCKACWKAG-UHFFFAOYSA-N 1 0 313.829 2.344 10 0 DEAERO COC[C@@H](C)N(C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042517764 183279444 /nfs/dbraw/zinc/27/94/44/183279444.db2.gz KVZYMVOIIKBHTF-SCZZXKLOSA-N 1 0 307.257 2.477 10 0 DEAERO O=S1CCC([NH2+][C@@H]2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000042353508 183257292 /nfs/dbraw/zinc/25/72/92/183257292.db2.gz LSFFZXCBLGOJHR-GVGUVYTRSA-N 1 0 313.385 2.377 10 0 DEAERO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1N)CC(C)C ZINC000042367160 183260298 /nfs/dbraw/zinc/26/02/98/183260298.db2.gz WHGHYAQCVCGZCH-UHFFFAOYSA-N 1 0 313.829 2.465 10 0 DEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1cncc(Br)c1 ZINC000042371206 183260491 /nfs/dbraw/zinc/26/04/91/183260491.db2.gz VMLRUMRFJJJYRT-SNVBAGLBSA-N 1 0 312.211 2.058 10 0 DEAERO CC[NH+]1CCC(N(C)c2ncc(Br)cc2N)CC1 ZINC000042614931 183291236 /nfs/dbraw/zinc/29/12/36/183291236.db2.gz ZMMNMAQZUKHGAB-UHFFFAOYSA-N 1 0 313.243 2.347 10 0 DEAERO CC(C)CN(CC[NH+](C)C)c1ncc(Br)cc1N ZINC000042740830 183303652 /nfs/dbraw/zinc/30/36/52/183303652.db2.gz HSNINYRWWPUEKD-UHFFFAOYSA-N 1 0 315.259 2.450 10 0 DEAERO CCN(CC(F)(F)F)[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000042739639 183303708 /nfs/dbraw/zinc/30/37/08/183303708.db2.gz BWARFIMYVVLWAR-SNVBAGLBSA-N 1 0 303.328 2.357 10 0 DEAERO CN(Cc1cscn1)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000042862343 183314882 /nfs/dbraw/zinc/31/48/82/183314882.db2.gz RELIQRHDLLRFQS-ZDUSSCGKSA-N 1 0 305.403 2.046 10 0 DEAERO CS(=O)(=O)c1ccc(O[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000042942554 183319834 /nfs/dbraw/zinc/31/98/34/183319834.db2.gz ZXHIKFDSZQOEPE-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO CC(C)[C@H](C)NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000043068006 183333317 /nfs/dbraw/zinc/33/33/17/183333317.db2.gz ZGMCBFGDDVYOFY-AWEZNQCLSA-N 1 0 307.438 2.471 10 0 DEAERO COc1ccc2[nH]c(S[C@H](C[NH3+])c3cnn(C)c3)nc2c1 ZINC000043237462 183346090 /nfs/dbraw/zinc/34/60/90/183346090.db2.gz SIRDMGVBCUSDND-CYBMUJFWSA-N 1 0 303.391 2.097 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(C)s1 ZINC000043247027 183347337 /nfs/dbraw/zinc/34/73/37/183347337.db2.gz UUUSAKMTYBQJPY-QPUJVOFHSA-N 1 0 310.448 2.293 10 0 DEAERO [NH3+]C[C@H](c1ccc(Br)s1)N1CCC(CO)CC1 ZINC000043259487 183349209 /nfs/dbraw/zinc/34/92/09/183349209.db2.gz ZQOPPFBXSZPRBO-SNVBAGLBSA-N 1 0 319.268 2.215 10 0 DEAERO Cn1cnnc1S[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000043290523 183351612 /nfs/dbraw/zinc/35/16/12/183351612.db2.gz PJXOVPQBYWGZHF-QMMMGPOBSA-N 1 0 319.253 2.431 10 0 DEAERO CCS(=O)(=O)CCOc1ccc(C[C@@H](C)[NH3+])cc1Cl ZINC000043491509 183366885 /nfs/dbraw/zinc/36/68/85/183366885.db2.gz COLJIZMUAUIDNY-SNVBAGLBSA-N 1 0 305.827 2.043 10 0 DEAERO Ic1ccccc1OC[C@H]1CCC[NH2+]1 ZINC000043496992 183367387 /nfs/dbraw/zinc/36/73/87/183367387.db2.gz DCPBBQZVIXZEIV-SECBINFHSA-N 1 0 303.143 2.422 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1OCCOC(C)C)OCCO2 ZINC000044064608 183393863 /nfs/dbraw/zinc/39/38/63/183393863.db2.gz FJEVCALKLLXZHV-LSDHHAIUSA-N 1 0 301.427 2.092 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1NC[C@@H]1CCC[NH2+]C1 ZINC000044503184 183416114 /nfs/dbraw/zinc/41/61/14/183416114.db2.gz KCILBOOYKDFJAL-SECBINFHSA-N 1 0 301.312 2.216 10 0 DEAERO CN(C(=O)c1ccoc1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000310819462 291692590 /nfs/dbraw/zinc/69/25/90/291692590.db2.gz HXZBHCQJBNKXFS-LLVKDONJSA-N 1 0 313.195 2.208 10 0 DEAERO CCC(CC)[C@H](CNC(=O)NCc1ccnn1C)[NH+]1CCCC1 ZINC000045533102 183513762 /nfs/dbraw/zinc/51/37/62/183513762.db2.gz YQVPXDPAFROVRV-INIZCTEOSA-N 1 0 321.469 2.120 10 0 DEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1coc(Br)c1 ZINC000104502068 194011854 /nfs/dbraw/zinc/01/18/54/194011854.db2.gz GSOJZVHQMLYHHD-SECBINFHSA-N 1 0 301.184 2.066 10 0 DEAERO O=C(NCc1cc(F)ccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105285208 194092594 /nfs/dbraw/zinc/09/25/94/194092594.db2.gz LINLGXOJLWDSJZ-CQSZACIVSA-N 1 0 309.360 2.345 10 0 DEAERO O[C@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1c(F)cccc1F ZINC000105884163 194156695 /nfs/dbraw/zinc/15/66/95/194156695.db2.gz KDHJLBDCIATMSB-SWLSCSKDSA-N 1 0 322.359 2.002 10 0 DEAERO COc1ccc(OCC[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000105898055 194163280 /nfs/dbraw/zinc/16/32/80/194163280.db2.gz FJSDHCOBLKUDNU-CQSZACIVSA-N 1 0 302.378 2.003 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(OC(F)F)cc1 ZINC000105932386 194173045 /nfs/dbraw/zinc/17/30/45/194173045.db2.gz RCCTTWJFWLFVMT-SMDDNHRTSA-N 1 0 300.349 2.269 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271890324 209300141 /nfs/dbraw/zinc/30/01/41/209300141.db2.gz VSOVHDVVOHWQOT-GOSISDBHSA-N 1 0 319.424 2.031 10 0 DEAERO COCC[N@@H+]1CCN(Cc2ccccc2OC(F)F)C[C@@H]1C ZINC000106107751 194185278 /nfs/dbraw/zinc/18/52/78/194185278.db2.gz JKOAJUKGZJSKNI-ZDUSSCGKSA-N 1 0 314.376 2.441 10 0 DEAERO CC[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CC[N@@H+]1CCOC ZINC000106112999 194187830 /nfs/dbraw/zinc/18/78/30/194187830.db2.gz MJOUOGGHBSGQOG-MRXNPFEDSA-N 1 0 320.433 2.000 10 0 DEAERO COc1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)ccc1SC ZINC000106380411 194204235 /nfs/dbraw/zinc/20/42/35/194204235.db2.gz BYVJGPYYDDQWBL-OAHLLOKOSA-N 1 0 322.474 2.370 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(OCC(=O)NCC(F)(F)F)cc1 ZINC000049309595 183724981 /nfs/dbraw/zinc/72/49/81/183724981.db2.gz UGOTWWZKXWNQGA-JTQLQIEISA-N 1 0 304.312 2.414 10 0 DEAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1Cl ZINC000049640684 183749997 /nfs/dbraw/zinc/74/99/97/183749997.db2.gz CYFJOAKFWMZQHX-VIFPVBQESA-N 1 0 309.218 2.487 10 0 DEAERO CN(c1ccc(F)cc1)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000049965547 183765921 /nfs/dbraw/zinc/76/59/21/183765921.db2.gz AITSNMDFIBMGBA-UHFFFAOYSA-N 1 0 308.378 2.251 10 0 DEAERO CCCN([C@](C)(CC)C[NH3+])S(=O)(=O)c1cc(F)ccc1F ZINC000050093628 183772955 /nfs/dbraw/zinc/77/29/55/183772955.db2.gz YJUNFKOVUGSHBF-CQSZACIVSA-N 1 0 320.405 2.493 10 0 DEAERO CCNc1ccc(Cl)c(C(=O)N[C@H](C)C[NH+]2CCCC2)n1 ZINC000050787856 183803647 /nfs/dbraw/zinc/80/36/47/183803647.db2.gz ARHKADZYOWBBFK-LLVKDONJSA-N 1 0 310.829 2.381 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cscc1Br ZINC000285453239 218446366 /nfs/dbraw/zinc/44/63/66/218446366.db2.gz GLANGWLQWPUOSB-QMMMGPOBSA-N 1 0 303.225 2.335 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)Nc1ccc(C)c(Br)c1 ZINC000109436527 194263330 /nfs/dbraw/zinc/26/33/30/194263330.db2.gz SCQRMTLJCSAMRD-LLVKDONJSA-N 1 0 301.184 2.060 10 0 DEAERO CN1CCN(C(=O)CC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000109789822 194285176 /nfs/dbraw/zinc/28/51/76/194285176.db2.gz JAFNAQXCFMCISW-UHFFFAOYSA-N 1 0 321.509 2.443 10 0 DEAERO O=S(=O)(c1ccc(OC2CC[NH2+]CC2)cc1)C(F)(F)F ZINC000051865579 183839399 /nfs/dbraw/zinc/83/93/99/183839399.db2.gz BULKBMCUDRDUIR-UHFFFAOYSA-N 1 0 309.309 2.111 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccnc1N1CCCC1 ZINC000046859831 296312475 /nfs/dbraw/zinc/31/24/75/296312475.db2.gz NYFAOBZSECKMBF-OAHLLOKOSA-N 1 0 316.449 2.286 10 0 DEAERO CC[C@H](C(N)=S)[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000110460812 194332497 /nfs/dbraw/zinc/33/24/97/194332497.db2.gz CGSBCIYLKACXKB-MRXNPFEDSA-N 1 0 305.491 2.302 10 0 DEAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000110648108 194346049 /nfs/dbraw/zinc/34/60/49/194346049.db2.gz DVZLDIWCTVOKJI-SECBINFHSA-N 1 0 320.817 2.227 10 0 DEAERO CC(C)C[NH2+]Cc1c(Cl)cccc1N1CCNC(=O)[C@@H]1C ZINC000110662293 194347853 /nfs/dbraw/zinc/34/78/53/194347853.db2.gz SRNKVOSNIUNHDQ-LBPRGKRZSA-N 1 0 309.841 2.410 10 0 DEAERO C[C@@H]1CN(CCNc2cccc(Br)c2)CC[N@@H+]1C ZINC000110756317 194357046 /nfs/dbraw/zinc/35/70/46/194357046.db2.gz HUFRCDOCSWMNNN-GFCCVEGCSA-N 1 0 312.255 2.497 10 0 DEAERO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1N)C[C@@H]1CCCOC1 ZINC000111154670 194396992 /nfs/dbraw/zinc/39/69/92/194396992.db2.gz XXGRKJFLYKBZRK-NSHDSACASA-N 1 0 311.813 2.219 10 0 DEAERO O[C@H](C[NH2+]CC1CCOCC1)c1cccc(Br)c1 ZINC000111161757 194397560 /nfs/dbraw/zinc/39/75/60/194397560.db2.gz KRVXTGMFRSVNEN-CQSZACIVSA-N 1 0 314.223 2.499 10 0 DEAERO CN(CC1CCOCC1)c1ncc(Br)cc1C[NH3+] ZINC000111174419 194398410 /nfs/dbraw/zinc/39/84/10/194398410.db2.gz YGHUFXCJWGQCAM-UHFFFAOYSA-N 1 0 314.227 2.166 10 0 DEAERO Cc1cc(NS(=O)(=O)CC[C@H]2CCCC[NH2+]2)ccc1F ZINC000061120363 184162628 /nfs/dbraw/zinc/16/26/28/184162628.db2.gz NPSWHCKXUSLTTN-GFCCVEGCSA-N 1 0 300.399 2.408 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000061270285 184167069 /nfs/dbraw/zinc/16/70/69/184167069.db2.gz QSLUEPXVNBAGOA-VIFPVBQESA-N 1 0 305.300 2.349 10 0 DEAERO C[NH+](C)CCC1CCN(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000060586844 184152305 /nfs/dbraw/zinc/15/23/05/184152305.db2.gz OKLIXPNIUUZCOQ-MRXNPFEDSA-N 1 0 317.433 2.493 10 0 DEAERO COc1ccc(NS(=O)(=O)CCC[NH2+]C(C)C)c(C)c1 ZINC000061568654 184175168 /nfs/dbraw/zinc/17/51/68/184175168.db2.gz IOUKOBUKIWQFTG-UHFFFAOYSA-N 1 0 300.424 2.133 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1ccccc1Cl ZINC000061592682 184175598 /nfs/dbraw/zinc/17/55/98/184175598.db2.gz FCNRMOUDKMWIMS-GHMZBOCLSA-N 1 0 312.826 2.333 10 0 DEAERO O=C(c1cc(F)cc2nc[nH]c21)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604203 184176924 /nfs/dbraw/zinc/17/69/24/184176924.db2.gz NSTCUZGBNHIQRW-UHFFFAOYSA-N 1 0 302.353 2.012 10 0 DEAERO CC1(C)CC[NH+](CC(=O)Nc2ccccc2C(N)=S)CC1 ZINC000061820042 184188523 /nfs/dbraw/zinc/18/85/23/184188523.db2.gz TVMNERLJKGPKAW-UHFFFAOYSA-N 1 0 305.447 2.381 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)NCc1ccccc1C[NH3+] ZINC000061841354 184189377 /nfs/dbraw/zinc/18/93/77/184189377.db2.gz LTDQLABZAPNAFN-UHFFFAOYSA-N 1 0 308.378 2.071 10 0 DEAERO C[C@H](CCNS(=O)(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000061911516 184195048 /nfs/dbraw/zinc/19/50/48/184195048.db2.gz CJYFFXGVLVRAQZ-CABCVRRESA-N 1 0 310.463 2.099 10 0 DEAERO C[N@H+](CCOCC(F)(F)F)Cc1cccc(C(N)=S)c1 ZINC000061942466 184197206 /nfs/dbraw/zinc/19/72/06/184197206.db2.gz JGXSWNPTPMXNIK-UHFFFAOYSA-N 1 0 306.353 2.332 10 0 DEAERO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000062010859 184201430 /nfs/dbraw/zinc/20/14/30/184201430.db2.gz GIIVCESMCULOGZ-OLZOCXBDSA-N 1 0 309.841 2.153 10 0 DEAERO COCCC[N@H+](C)CCCC[C@](C)(NC(C)C)C(=O)OC ZINC000062034877 184202965 /nfs/dbraw/zinc/20/29/65/184202965.db2.gz CYLYHXBOGRALLX-INIZCTEOSA-N 1 0 302.459 2.055 10 0 DEAERO COc1ccc(C[NH2+]CC(=O)Nc2ccccc2Cl)cn1 ZINC000062070786 184204352 /nfs/dbraw/zinc/20/43/52/184204352.db2.gz NBGCCLKDEAGSQR-UHFFFAOYSA-N 1 0 305.765 2.472 10 0 DEAERO NC(=S)C1(C(=O)NCCC[NH+]2CCCC2)CCCCCC1 ZINC000062080003 184204843 /nfs/dbraw/zinc/20/48/43/184204843.db2.gz FFPKMNMWNBOJHQ-UHFFFAOYSA-N 1 0 311.495 2.215 10 0 DEAERO COC(=O)CC[C@H]([NH3+])Cc1ccc(F)c(Br)c1 ZINC000061893180 184193031 /nfs/dbraw/zinc/19/30/31/184193031.db2.gz IDJOGKQBEGPSKY-VIFPVBQESA-N 1 0 304.159 2.411 10 0 DEAERO [NH3+]Cc1cc2ccccc2n(CCOCC(F)(F)F)c1=O ZINC000062336510 184230863 /nfs/dbraw/zinc/23/08/63/184230863.db2.gz KYCVREMQMOJYLP-UHFFFAOYSA-N 1 0 300.280 2.039 10 0 DEAERO COCC[NH2+]Cc1ccc(OCc2ncc(Cl)n2C)cc1 ZINC000062729127 184250754 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184245210 /nfs/dbraw/zinc/24/52/10/184245210.db2.gz KZTAQUXREDLOAL-VIFPVBQESA-N 1 0 303.225 2.005 10 0 DEAERO CC[NH2+]Cc1ccc(O[C@H](C)C(=O)OC)c(Br)c1 ZINC000062701058 184247763 /nfs/dbraw/zinc/24/77/63/184247763.db2.gz OTGGMFWLKMUBBA-SECBINFHSA-N 1 0 316.195 2.499 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccccc1Cl ZINC000063213129 184278396 /nfs/dbraw/zinc/27/83/96/184278396.db2.gz PAMLFSCCPWFCTP-NEPJUHHUSA-N 1 0 302.827 2.278 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1 ZINC000063213137 184278569 /nfs/dbraw/zinc/27/85/69/184278569.db2.gz AEOZBSQHZQSLHR-OLZOCXBDSA-N 1 0 302.827 2.278 10 0 DEAERO CCN(CC)[C@H](C[NH2+]CCCS(C)(=O)=O)c1ccccc1 ZINC000063014742 184266901 /nfs/dbraw/zinc/26/69/01/184266901.db2.gz FCDBQKYVYMEOBU-MRXNPFEDSA-N 1 0 312.479 2.094 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1Nc1ccccc1S(=O)(=O)C(F)(F)F ZINC000063177674 184276774 /nfs/dbraw/zinc/27/67/74/184276774.db2.gz NYZUSTPIJKRDNP-IUCAKERBSA-N 1 0 308.325 2.272 10 0 DEAERO O=C(Nc1ccccc1OC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000066152538 184393554 /nfs/dbraw/zinc/39/35/54/184393554.db2.gz MYUWRTNRGZAKKA-AWEZNQCLSA-N 1 0 304.390 2.183 10 0 DEAERO COCC[N@@H+]1CC[C@@H](CNc2ccc(C(F)(F)F)cn2)C1 ZINC000301125290 532972944 /nfs/dbraw/zinc/97/29/44/532972944.db2.gz XYYHIOCEMIWQFM-NSHDSACASA-N 1 0 303.328 2.481 10 0 DEAERO Cc1nn(C)c(C)c1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000537885885 285019934 /nfs/dbraw/zinc/01/99/34/285019934.db2.gz SRIGDGSQVJNKAF-UHFFFAOYSA-N 1 0 307.442 2.375 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Cc1csc(-c2ccccn2)n1 ZINC000538314968 285031412 /nfs/dbraw/zinc/03/14/12/285031412.db2.gz AJKOIYSYRVRLOE-UHFFFAOYSA-N 1 0 318.446 2.158 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2cccc3ncn(C)c32)CC1 ZINC000538330615 285031878 /nfs/dbraw/zinc/03/18/78/285031878.db2.gz PKQWTEUYJDMDDW-UHFFFAOYSA-N 1 0 314.433 2.425 10 0 DEAERO CC(C)[N@H+](CC(=O)NCCOc1ccccc1)C1CCOCC1 ZINC000119631915 195006771 /nfs/dbraw/zinc/00/67/71/195006771.db2.gz KILCUNPSAXFYGS-UHFFFAOYSA-N 1 0 320.433 2.071 10 0 DEAERO COc1ccccc1-c1nnc(CN2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000119660595 195012768 /nfs/dbraw/zinc/01/27/68/195012768.db2.gz VHMYBAYRYOAOFJ-CYBMUJFWSA-N 1 0 316.405 2.271 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cnn(C)c1 ZINC000119968291 195071604 /nfs/dbraw/zinc/07/16/04/195071604.db2.gz WQEGHWMUNACSAU-YPMHNXCESA-N 1 0 305.813 2.398 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Cc1ccccc1Br ZINC000539417831 285076878 /nfs/dbraw/zinc/07/68/78/285076878.db2.gz ZEWHTEAAGCIPPK-UHFFFAOYSA-N 1 0 313.239 2.402 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000159288898 197343458 /nfs/dbraw/zinc/34/34/58/197343458.db2.gz BGDGZGXIFMPOGF-CVEARBPZSA-N 1 0 308.397 2.225 10 0 DEAERO CC[NH2+][C@@H](CSc1nnc2n1CCCCC2)[C@H]1CCOC1 ZINC000159259041 197340356 /nfs/dbraw/zinc/34/03/56/197340356.db2.gz WWNVZFMWWSBAHP-STQMWFEESA-N 1 0 310.467 2.111 10 0 DEAERO CC[C@H]1C[NH2+][C@H](c2ccccc2)CN1C1CCS(=O)CC1 ZINC000159195497 197335500 /nfs/dbraw/zinc/33/55/00/197335500.db2.gz RWFRRTJKZAFQBW-CLIJALBYSA-N 1 0 306.475 2.323 10 0 DEAERO CCC[NH2+][C@H](C[S@@](=O)c1cc(F)ccc1F)[C@@H]1CCOC1 ZINC000159078113 197325315 /nfs/dbraw/zinc/32/53/15/197325315.db2.gz YISFXRNPEAMSSZ-DAKYAEBGSA-N 1 0 317.401 2.477 10 0 DEAERO CC[NH2+][C@H](C[S@](=O)c1ccccc1Cl)[C@@H]1CCOC1 ZINC000158943103 197312813 /nfs/dbraw/zinc/31/28/13/197312813.db2.gz LCROUHOHARXPCF-MJCKAROISA-N 1 0 301.839 2.462 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc(F)cc1F ZINC000158998739 197318272 /nfs/dbraw/zinc/31/82/72/197318272.db2.gz YNIPKEIWVQGVNJ-ZWNOBZJWSA-N 1 0 318.389 2.021 10 0 DEAERO C[NH2+][C@H](Cc1cc(Br)ccc1OC)c1cnn[nH]1 ZINC000158848608 197306402 /nfs/dbraw/zinc/30/64/02/197306402.db2.gz IXEJMRNQWOPOMI-SNVBAGLBSA-N 1 0 311.183 2.079 10 0 DEAERO CC(C)(C)[NH2+]Cc1ccc(Sc2nc(N)cc(N)n2)nc1 ZINC000158923716 197311213 /nfs/dbraw/zinc/31/12/13/197311213.db2.gz XDHOPJXZZOQFBF-UHFFFAOYSA-N 1 0 304.423 2.075 10 0 DEAERO C[C@H](CCn1cccn1)[NH2+][C@H](Cc1ccccc1)CN(C)C ZINC000158673003 197292521 /nfs/dbraw/zinc/29/25/21/197292521.db2.gz VJUJQBKZEKAUBG-SJLPKXTDSA-N 1 0 300.450 2.424 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)ccc1Cl ZINC000158757653 197299513 /nfs/dbraw/zinc/29/95/13/197299513.db2.gz XFCKWHDQTRNYHT-PHIMTYICSA-N 1 0 314.838 2.219 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)c1ccccc1Cl)[C@@H]1CCOC1 ZINC000158718918 197296317 /nfs/dbraw/zinc/29/63/17/197296317.db2.gz RGULCPGHJQQHPM-DGCLKSJQSA-N 1 0 317.838 2.128 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000158714550 197296348 /nfs/dbraw/zinc/29/63/48/197296348.db2.gz JXRAFVZOCSBSEL-RISCZKNCSA-N 1 0 317.838 2.128 10 0 DEAERO [NH3+]C[C@@H](c1ccccc1Br)[C@H](O)c1ncccn1 ZINC000158517445 197280621 /nfs/dbraw/zinc/28/06/21/197280621.db2.gz BHILSIIIXYBRPT-JQWIXIFHSA-N 1 0 308.179 2.015 10 0 DEAERO CCc1ccc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1F ZINC000158534204 197281484 /nfs/dbraw/zinc/28/14/84/197281484.db2.gz DOWQZSKOYDCEGS-CYBMUJFWSA-N 1 0 322.428 2.146 10 0 DEAERO COCCn1ncc(Br)c1[C@H]([NH3+])c1ccccc1 ZINC000158445329 197272796 /nfs/dbraw/zinc/27/27/96/197272796.db2.gz BUTXEDFXYXSTHF-GFCCVEGCSA-N 1 0 310.195 2.340 10 0 DEAERO C[C@@H]1OCC[C@H]1[N@H+](C)CCC(=O)Nc1ccc(N)cc1Cl ZINC000158179057 197250515 /nfs/dbraw/zinc/25/05/15/197250515.db2.gz PAEJGQNCQOVDBG-IINYFYTJSA-N 1 0 311.813 2.360 10 0 DEAERO [NH3+][C@H]1CCCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000157983440 197233406 /nfs/dbraw/zinc/23/34/06/197233406.db2.gz OQNPTQNQIVBFJG-LBPRGKRZSA-N 1 0 304.781 2.089 10 0 DEAERO Cn1ncc(Br)c1[C@@H](O)C(C)(C)[NH+]1CCCC1 ZINC000157596196 197201209 /nfs/dbraw/zinc/20/12/09/197201209.db2.gz RMOZSEOGJOVCAA-LLVKDONJSA-N 1 0 302.216 2.090 10 0 DEAERO CCCn1ncc(Br)c1[C@H](O)C(C)(C)[NH+](C)C ZINC000157586222 197199852 /nfs/dbraw/zinc/19/98/52/197199852.db2.gz MDUWLJVDVLLATI-NSHDSACASA-N 1 0 304.232 2.429 10 0 DEAERO NC(=[NH2+])c1cnc(Oc2cc(F)cc(Br)c2)cn1 ZINC000157317133 197179409 /nfs/dbraw/zinc/17/94/09/197179409.db2.gz IOYQDPIGCZRQNQ-UHFFFAOYSA-N 1 0 311.114 2.455 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)CCOCC)cc1 ZINC000157290658 197177307 /nfs/dbraw/zinc/17/73/07/197177307.db2.gz UPOOUZQBOSZRIQ-CYBMUJFWSA-N 1 0 314.451 2.014 10 0 DEAERO CCOc1ncccc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000157060681 197158857 /nfs/dbraw/zinc/15/88/57/197158857.db2.gz ITRAMZKLYBQGBW-ZFWWWQNUSA-N 1 0 320.437 2.008 10 0 DEAERO O[C@H](Cc1cccc(F)c1Br)[C@H]1CCC[NH2+]C1 ZINC000157135243 197164933 /nfs/dbraw/zinc/16/49/33/197164933.db2.gz WZORQHZNJKDJNY-CMPLNLGQSA-N 1 0 302.187 2.491 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCC(C)(C)SC)cc1 ZINC000156873317 197146609 /nfs/dbraw/zinc/14/66/09/197146609.db2.gz KVPRTGHOHLVZLN-NSHDSACASA-N 1 0 316.492 2.387 10 0 DEAERO Cc1cc(Nc2ccc(C(N)=O)cc2)c(C(N)=S)c(C)[nH+]1 ZINC000156613535 197127524 /nfs/dbraw/zinc/12/75/24/197127524.db2.gz RJPDRTMQDBRTPT-UHFFFAOYSA-N 1 0 300.387 2.175 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1N[C@](C)(C[NH3+])C(C)C ZINC000155989496 197079035 /nfs/dbraw/zinc/07/90/35/197079035.db2.gz UJAMXYYKPJXSGQ-OAHLLOKOSA-N 1 0 313.467 2.159 10 0 DEAERO CCCc1[nH+]c2cc(N)ccc2n1C[C@H]1CCCS1(=O)=O ZINC000155465380 197057777 /nfs/dbraw/zinc/05/77/77/197057777.db2.gz ISTJWGHCLPYLDN-GFCCVEGCSA-N 1 0 307.419 2.148 10 0 DEAERO CCC[C@@H](C(=O)NCCN1c2ccccc2C[C@@H]1C)[NH+](C)C ZINC000155118065 197023814 /nfs/dbraw/zinc/02/38/14/197023814.db2.gz SNAFZYAKDNWSFO-YOEHRIQHSA-N 1 0 303.450 2.284 10 0 DEAERO CCC[C@H](C(=O)NCCN1c2ccccc2C[C@@H]1C)[NH+](C)C ZINC000155118169 197023969 /nfs/dbraw/zinc/02/39/69/197023969.db2.gz SNAFZYAKDNWSFO-WMLDXEAASA-N 1 0 303.450 2.284 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@H]([NH3+])C2)no1 ZINC000155028115 197014882 /nfs/dbraw/zinc/01/48/82/197014882.db2.gz XUDSCUQLDZQJGE-AVGNSLFASA-N 1 0 306.410 2.374 10 0 DEAERO CC(C)N(CCc1nccs1)C(=O)NC1CC[NH+](C)CC1 ZINC000154975344 197009575 /nfs/dbraw/zinc/00/95/75/197009575.db2.gz PKZZPMKAYDFWHN-UHFFFAOYSA-N 1 0 310.467 2.200 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000120495165 195178750 /nfs/dbraw/zinc/17/87/50/195178750.db2.gz AVMKDGWCMDJIGB-ZBFHGGJFSA-N 1 0 317.433 2.183 10 0 DEAERO Cc1cc(F)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120498009 195178884 /nfs/dbraw/zinc/17/88/84/195178884.db2.gz GITUDKJEWVFVEB-TZMCWYRMSA-N 1 0 321.396 2.014 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc3c2OC(C)(C)C3)C[C@H]1C ZINC000120606606 195200204 /nfs/dbraw/zinc/20/02/04/195200204.db2.gz OMNOOIAXVPTYOB-HUUCEWRRSA-N 1 0 318.461 2.287 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Nc1cc(Br)ccn1 ZINC000560376337 291930237 /nfs/dbraw/zinc/93/02/37/291930237.db2.gz ULJMZKKIOKTNNZ-UHFFFAOYSA-N 1 0 315.215 2.260 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000120807608 195242561 /nfs/dbraw/zinc/24/25/61/195242561.db2.gz BLIXMBVHNRQLMD-NEADZQPHSA-N 1 0 323.481 2.220 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000120773355 195234688 /nfs/dbraw/zinc/23/46/88/195234688.db2.gz ZTPPHWVIMXCWBH-ZBEGNZNMSA-N 1 0 301.438 2.369 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)O1 ZINC000152377067 196815072 /nfs/dbraw/zinc/81/50/72/196815072.db2.gz GTKGKBQSBGVEDT-NJAFHUGGSA-N 1 0 316.445 2.235 10 0 DEAERO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c(O)c1 ZINC000120854265 195250982 /nfs/dbraw/zinc/25/09/82/195250982.db2.gz MCQHDTMGUSSVCM-CYBMUJFWSA-N 1 0 306.406 2.251 10 0 DEAERO C[C@H]([NH2+]Cc1cncn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000289726472 221182771 /nfs/dbraw/zinc/18/27/71/221182771.db2.gz JVQSRLFBGRANMI-STQMWFEESA-N 1 0 308.426 2.155 10 0 DEAERO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3)CCO[C@H]2C1 ZINC000248253817 257107648 /nfs/dbraw/zinc/10/76/48/257107648.db2.gz TWKMEPYNANVITI-IRXDYDNUSA-N 1 0 302.418 2.115 10 0 DEAERO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)s1 ZINC000248141211 257108383 /nfs/dbraw/zinc/10/83/83/257108383.db2.gz QFDDOQBKLRTRGF-CABCVRRESA-N 1 0 316.430 2.170 10 0 DEAERO Cc1n[nH]c(C[C@@H]2OC[C@@H]3C[N@H+](Cc4ccsc4)CC[C@@H]32)n1 ZINC000248025106 257110637 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Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248185618 145150087 /nfs/dbraw/zinc/15/00/87/145150087.db2.gz XGSLLQDPYZJLTJ-PKOBYXMFSA-N 1 0 316.445 2.238 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC(F)(F)F ZINC000248391966 145152643 /nfs/dbraw/zinc/15/26/43/145152643.db2.gz JVUPWCOPTWRVFB-DGCLKSJQSA-N 1 0 315.339 2.368 10 0 DEAERO COc1ccc(/C=C/C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1O ZINC000248414068 145154163 /nfs/dbraw/zinc/15/41/63/145154163.db2.gz MCJSBMURFFFTEV-BZDCKHMYSA-N 1 0 316.401 2.109 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(C)o2)CC[N@@H+]1C[C@H](C)O ZINC000248459944 145156112 /nfs/dbraw/zinc/15/61/12/145156112.db2.gz RXFFWGJSTKXQFC-AEGPPILISA-N 1 0 323.437 2.136 10 0 DEAERO C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1nccs1 ZINC000248596894 145160570 /nfs/dbraw/zinc/16/05/70/145160570.db2.gz IIEIEXAHELYGTR-AGIUHOORSA-N 1 0 308.451 2.125 10 0 DEAERO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000248683407 145163823 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CO[C@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2C)CC[C@H]1C ZINC000251930105 145197814 /nfs/dbraw/zinc/19/78/14/145197814.db2.gz TUFMOIJAPKHPSN-WBVHZDCISA-N 1 0 304.434 2.310 10 0 DEAERO CO[C@@H]1C[N@H+](CCC(=O)Nc2cc(N)ccc2F)CC[C@H]1C ZINC000252017803 145198406 /nfs/dbraw/zinc/19/84/06/145198406.db2.gz YJXKGKIIQPWROW-IAQYHMDHSA-N 1 0 309.385 2.093 10 0 DEAERO CN(C(=O)c1ccc(N)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261546047 145206936 /nfs/dbraw/zinc/20/69/36/145206936.db2.gz KQECRRJLQXXVQT-INIZCTEOSA-N 1 0 310.401 2.010 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)s1 ZINC000261591252 145208633 /nfs/dbraw/zinc/20/86/33/145208633.db2.gz LVWZCNIXHQBPGU-GFCCVEGCSA-N 1 0 302.465 2.033 10 0 DEAERO C[C@H](C(=O)Nc1cc(F)ccc1F)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261641336 145213168 /nfs/dbraw/zinc/21/31/68/145213168.db2.gz GHOKJJWWJULFQD-YGRLFVJLSA-N 1 0 311.376 2.351 10 0 DEAERO O=C(CN1CCC([NH2+]CC2CC2)CC1)Nc1cc(F)cc(F)c1 ZINC000261684793 145216121 /nfs/dbraw/zinc/21/61/21/145216121.db2.gz ILRIUJFGEXGAGT-UHFFFAOYSA-N 1 0 323.387 2.367 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261689660 145216938 /nfs/dbraw/zinc/21/69/38/145216938.db2.gz DBERIDVPQWCAIY-IUODEOHRSA-N 1 0 306.406 2.048 10 0 DEAERO O=C(c1cc(-c2cccs2)n[nH]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261706195 145218508 /nfs/dbraw/zinc/21/85/08/145218508.db2.gz FYLKMHLSEYWKTA-TXEJJXNPSA-N 1 0 316.430 2.210 10 0 DEAERO C[C@@H]([NH3+])CC(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000261745640 145221944 /nfs/dbraw/zinc/22/19/44/145221944.db2.gz GWXXGPMVONNOEE-MFKMUULPSA-N 1 0 316.323 2.343 10 0 DEAERO [NH3+][C@H](C(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000261772367 145225332 /nfs/dbraw/zinc/22/53/32/145225332.db2.gz FUAJKEFDVSIGPU-LBPRGKRZSA-N 1 0 313.195 2.142 10 0 DEAERO COC1([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)CCOCC1 ZINC000453058751 292134347 /nfs/dbraw/zinc/13/43/47/292134347.db2.gz LNYGCOPMCSZMNR-GFCCVEGCSA-N 1 0 312.376 2.044 10 0 DEAERO c1cn(-c2ccccc2)nc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261794989 145227121 /nfs/dbraw/zinc/22/71/21/145227121.db2.gz QLUYTPHNNHCGGA-LJQANCHMSA-N 1 0 319.412 2.414 10 0 DEAERO CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261848687 145233116 /nfs/dbraw/zinc/23/31/16/145233116.db2.gz BAPVAQSQUGXCJF-OTWHNJEPSA-N 1 0 318.461 2.470 10 0 DEAERO [NH3+]C1(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)CCOCC1 ZINC000261869691 145236147 /nfs/dbraw/zinc/23/61/47/145236147.db2.gz NYIUZTQLSBREQJ-UHFFFAOYSA-N 1 0 306.410 2.294 10 0 DEAERO C[C@H]1CCc2ccccc2N1C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261904495 145240423 /nfs/dbraw/zinc/24/04/23/145240423.db2.gz WWDVPIFZTPDPJT-YOEHRIQHSA-N 1 0 315.461 2.414 10 0 DEAERO C[C@@H](NC(=O)C(C)(C)C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261954851 145246298 /nfs/dbraw/zinc/24/62/98/145246298.db2.gz GNZBGFHBUCJEEN-SNVBAGLBSA-N 1 0 302.378 2.419 10 0 DEAERO Fc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1F ZINC000261966144 145247556 /nfs/dbraw/zinc/24/75/56/145247556.db2.gz QBNBAMBMIMWEBT-IMJJTQAJSA-N 1 0 310.388 2.254 10 0 DEAERO COCc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)ccc1F ZINC000261972933 145248199 /nfs/dbraw/zinc/24/81/99/145248199.db2.gz QUKMLICDMMJDTF-KBAYOESNSA-N 1 0 322.424 2.219 10 0 DEAERO COCc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)ccc1F ZINC000261972930 145248666 /nfs/dbraw/zinc/24/86/66/145248666.db2.gz QUKMLICDMMJDTF-JQHSSLGASA-N 1 0 322.424 2.219 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)c2cccc(Nc3cnccn3)c2)C1 ZINC000262004798 145251890 /nfs/dbraw/zinc/25/18/90/145251890.db2.gz NTBRAWYZQPLVBP-QGZVFWFLSA-N 1 0 311.389 2.031 10 0 DEAERO C[C@H](C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)C1C[NH2+]C1 ZINC000262019880 145253597 /nfs/dbraw/zinc/25/35/97/145253597.db2.gz AHNJROBJAHPEDG-LBPRGKRZSA-N 1 0 324.384 2.128 10 0 DEAERO COc1ccccc1[C@H]1CNCCN1C(=O)c1cccc(N)c1 ZINC000262018790 145253726 /nfs/dbraw/zinc/25/37/26/145253726.db2.gz RKVCMVGUSVSVSO-MRXNPFEDSA-N 1 0 311.385 2.064 10 0 DEAERO Cc1noc2nc(-c3ccccc3)cc(C(=O)NCC3C[NH2+]C3)c12 ZINC000262016660 145253844 /nfs/dbraw/zinc/25/38/44/145253844.db2.gz LITIJQZJGJHDSG-UHFFFAOYSA-N 1 0 322.368 2.147 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)Oc1ccc(F)cc1 ZINC000262036136 145255337 /nfs/dbraw/zinc/25/53/37/145255337.db2.gz XZZUHVNNGBRWEK-PILAGYSTSA-N 1 0 322.424 2.340 10 0 DEAERO COCCOc1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)cc1Cl ZINC000262034491 145255534 /nfs/dbraw/zinc/25/55/34/145255534.db2.gz ATUDFAFWUWVULW-JTQLQIEISA-N 1 0 312.797 2.159 10 0 DEAERO CCOC(=O)c1ccc(CN(CC[NH3+])CCc2ccccc2)o1 ZINC000262042229 145255810 /nfs/dbraw/zinc/25/58/10/145255810.db2.gz PIBIVVWTJHFRSQ-UHFFFAOYSA-N 1 0 316.401 2.460 10 0 DEAERO Cc1[nH]c2ccc(CNC(=O)[C@@H]([NH3+])C3CCOCC3)cc2c1C ZINC000262048130 145256807 /nfs/dbraw/zinc/25/68/07/145256807.db2.gz QSEIFRLOSBYLFE-KRWDZBQOSA-N 1 0 315.417 2.155 10 0 DEAERO Fc1cc(F)cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000262053999 145257847 /nfs/dbraw/zinc/25/78/47/145257847.db2.gz ZZBFAIRURDYGCT-BRWVUGGUSA-N 1 0 310.388 2.254 10 0 DEAERO Nc1ncc(C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)s1 ZINC000262076793 145259679 /nfs/dbraw/zinc/25/96/79/145259679.db2.gz SRLDKCPRKRRWIA-INIZCTEOSA-N 1 0 303.431 2.295 10 0 DEAERO COc1ccccc1OCCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262091725 145260384 /nfs/dbraw/zinc/26/03/84/145260384.db2.gz ULZXXGUOKVTYAE-HNNXBMFYSA-N 1 0 306.406 2.050 10 0 DEAERO CCN(C(=O)[C@@H](C)C1C[NH2+]C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000262202139 145269482 /nfs/dbraw/zinc/26/94/82/145269482.db2.gz NERACVLGQGWCHI-KGLIPLIRSA-N 1 0 304.434 2.330 10 0 DEAERO O=C(NC[C@H](O)c1cccc(Cl)c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262217269 145270202 /nfs/dbraw/zinc/27/02/02/145270202.db2.gz OUZZUGGAVSWOJI-JLJPHGGASA-N 1 0 322.836 2.269 10 0 DEAERO CCC[C@H]1[C@@H](C)CCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262274566 145272752 /nfs/dbraw/zinc/27/27/52/145272752.db2.gz NHVMTWCTXAWMDF-ORQFMDKSSA-N 1 0 318.465 2.150 10 0 DEAERO C[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C)c1cccs1 ZINC000262314148 145275973 /nfs/dbraw/zinc/27/59/73/145275973.db2.gz BWZFXDRBDXQJEY-JTQLQIEISA-N 1 0 319.434 2.086 10 0 DEAERO CC1CCC(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000262465995 145285854 /nfs/dbraw/zinc/28/58/54/145285854.db2.gz IVTKFTLGZOMEPF-PTALEHFISA-N 1 0 308.466 2.461 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000262492798 145287471 /nfs/dbraw/zinc/28/74/71/145287471.db2.gz ANRIWFGUVXFREC-ULQDDVLXSA-N 1 0 302.418 2.412 10 0 DEAERO Cc1cnc([C@H](C)NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000262495034 145288083 /nfs/dbraw/zinc/28/80/83/145288083.db2.gz LGWOGNZSLRMLFV-CENBSLRLSA-N 1 0 323.462 2.161 10 0 DEAERO CCOc1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1OCC ZINC000262502545 145288216 /nfs/dbraw/zinc/28/82/16/145288216.db2.gz MDMVZGXMKZIOKL-CQSZACIVSA-N 1 0 306.406 2.356 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000262511676 145289111 /nfs/dbraw/zinc/28/91/11/145289111.db2.gz NLIZDHJMAFGZRA-RLCAUIQDSA-N 1 0 306.793 2.043 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1cccc(Cl)c1 ZINC000262537325 145291361 /nfs/dbraw/zinc/29/13/61/145291361.db2.gz QMLSSGFYHNOWSA-VBQJREDUSA-N 1 0 322.836 2.489 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000262541101 145291516 /nfs/dbraw/zinc/29/15/16/145291516.db2.gz FZXPCYFICZWCKE-OAHLLOKOSA-N 1 0 306.454 2.038 10 0 DEAERO C[C@@H](NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000262587100 145295466 /nfs/dbraw/zinc/29/54/66/145295466.db2.gz ZWJPMQRMFMRBNS-SCFUHWHPSA-N 1 0 302.418 2.396 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1ccsc1NC(=O)c1ccco1)C1CC1 ZINC000262591284 145295776 /nfs/dbraw/zinc/29/57/76/145295776.db2.gz SZWHJHUVHRAODT-NSHDSACASA-N 1 0 319.386 2.061 10 0 DEAERO O[C@@H]1[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCC12CCOCC2 ZINC000328749518 296574048 /nfs/dbraw/zinc/57/40/48/296574048.db2.gz MIHAUMJRTXXYDP-WRQOLXDDSA-N 1 0 321.461 2.101 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000262796138 145305505 /nfs/dbraw/zinc/30/55/05/145305505.db2.gz NKUYLFIJTHEDKT-CZUORRHYSA-N 1 0 304.434 2.477 10 0 DEAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000262988727 145316425 /nfs/dbraw/zinc/31/64/25/145316425.db2.gz NMFOBWWMBMJHIO-DZKIICNBSA-N 1 0 310.825 2.397 10 0 DEAERO CC(C)COc1cccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263108964 145326349 /nfs/dbraw/zinc/32/63/49/145326349.db2.gz ACQJGMYZNFQXRB-HNNXBMFYSA-N 1 0 316.405 2.348 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc([C@@H]2C[C@H]2c2ccc(F)cc2)n1 ZINC000263184916 145333769 /nfs/dbraw/zinc/33/37/69/145333769.db2.gz HEDPYXKPUWHOHF-MJBXVCDLSA-N 1 0 302.353 2.056 10 0 DEAERO COc1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c2ccccc12 ZINC000263188873 145334360 /nfs/dbraw/zinc/33/43/60/145334360.db2.gz HPNFFSQQTAXAJU-HNNXBMFYSA-N 1 0 324.384 2.475 10 0 DEAERO Cc1ccccc1[C@H](C)Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263201417 145335317 /nfs/dbraw/zinc/33/53/17/145335317.db2.gz JCISNKGATXQNAQ-HIFRSBDPSA-N 1 0 300.406 2.300 10 0 DEAERO COCC[C@H](COC)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000309701185 145350516 /nfs/dbraw/zinc/35/05/16/145350516.db2.gz GBQSNUJPEVSGRA-KBAYOESNSA-N 1 0 306.450 2.291 10 0 DEAERO CCOC(=O)C1CCC(O)(C[N@H+](C)CCCSC)CC1 ZINC000312223403 145353884 /nfs/dbraw/zinc/35/38/84/145353884.db2.gz CPXRVMXFQMUFJI-UHFFFAOYSA-N 1 0 303.468 2.156 10 0 DEAERO CO[C@H]1C[C@@H](CO)N(Cc2csc(-c3ccsc3)n2)C1 ZINC000312467385 145354928 /nfs/dbraw/zinc/35/49/28/145354928.db2.gz GDXWRODQXSKJHT-STQMWFEESA-N 1 0 310.444 2.453 10 0 DEAERO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000332730974 145387248 /nfs/dbraw/zinc/38/72/48/145387248.db2.gz UULLYKJMNBTREZ-GOEBONIOSA-N 1 0 304.438 2.357 10 0 DEAERO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000348310667 146253888 /nfs/dbraw/zinc/25/38/88/146253888.db2.gz OGSRMLMFMPTRHU-KDOFPFPSSA-N 1 0 316.445 2.471 10 0 DEAERO C[C@H]1CN(Cc2ncc(Br)s2)C[C@H]1[NH+](C)C ZINC000349282327 146365546 /nfs/dbraw/zinc/36/55/46/146365546.db2.gz PUBCEIQSMUZQMX-DTWKUNHWSA-N 1 0 304.257 2.288 10 0 DEAERO O[C@H](CC[NH2+]Cc1cnn(Cc2ccccc2)c1)C(F)(F)F ZINC000349317783 146367700 /nfs/dbraw/zinc/36/77/00/146367700.db2.gz QEEDWJIQJCQTMP-CQSZACIVSA-N 1 0 313.323 2.334 10 0 DEAERO c1coc(CN2CCN(Cc3nc(-c4ccoc4)no3)CC2)c1 ZINC000357244940 147071558 /nfs/dbraw/zinc/07/15/58/147071558.db2.gz JJRXBDVIFZXPNI-UHFFFAOYSA-N 1 0 314.345 2.240 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2COc3ccccc3O2)CN1C1CC1 ZINC000358297047 147108335 /nfs/dbraw/zinc/10/83/35/147108335.db2.gz LOFFPQKEQVBOFR-IIAWOOMASA-N 1 0 302.418 2.431 10 0 DEAERO Cc1nc(CN(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)no1 ZINC000358508362 147147866 /nfs/dbraw/zinc/14/78/66/147147866.db2.gz NSDNDFJNHYCZJU-UHFFFAOYSA-N 1 0 323.356 2.211 10 0 DEAERO COCCC1(C)CN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000358526211 147150576 /nfs/dbraw/zinc/15/05/76/147150576.db2.gz BDPVRWOJRJJOTP-LSDHHAIUSA-N 1 0 311.470 2.175 10 0 DEAERO O=C(NC1CCCCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000363265062 147639207 /nfs/dbraw/zinc/63/92/07/147639207.db2.gz WVWJZHGJXLJGRO-UHFFFAOYSA-N 1 0 309.454 2.262 10 0 DEAERO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000183188002 292171167 /nfs/dbraw/zinc/17/11/67/292171167.db2.gz JKEHHSKGCULUHR-GDBMZVCRSA-N 1 0 311.447 2.316 10 0 DEAERO C/C=C\c1ccc(OCC(=O)N2CCCC[C@H]2C[NH3+])c(OC)c1 ZINC000565769807 292180769 /nfs/dbraw/zinc/18/07/69/292180769.db2.gz SIAVMYRJJWVCBI-BYPUDFOVSA-N 1 0 318.417 2.447 10 0 DEAERO CC(=O)CCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000372327106 148194549 /nfs/dbraw/zinc/19/45/49/148194549.db2.gz XDCFTPJZUPZNBL-MRXNPFEDSA-N 1 0 320.408 2.475 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Cl)nc1 ZINC000374525853 148256788 /nfs/dbraw/zinc/25/67/88/148256788.db2.gz CTJSXESREAWHJR-SMDDNHRTSA-N 1 0 323.824 2.166 10 0 DEAERO COCCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000374593798 148266347 /nfs/dbraw/zinc/26/63/47/148266347.db2.gz NPFVZXWQUWRRLF-HZPDHXFCSA-N 1 0 320.433 2.071 10 0 DEAERO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1nccn1C ZINC000374791860 148290082 /nfs/dbraw/zinc/29/00/82/148290082.db2.gz HZQCWLPTZLIJSX-KKUMJFAQSA-N 1 0 307.438 2.029 10 0 DEAERO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)nc1 ZINC000375431217 148371108 /nfs/dbraw/zinc/37/11/08/148371108.db2.gz LAFGJRCAJYROLR-GFCCVEGCSA-N 1 0 300.362 2.340 10 0 DEAERO COc1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)nc1 ZINC000375431218 148371415 /nfs/dbraw/zinc/37/14/15/148371415.db2.gz LAFGJRCAJYROLR-LBPRGKRZSA-N 1 0 300.362 2.340 10 0 DEAERO O[C@@H](C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)CC(F)(F)F ZINC000375508717 148380934 /nfs/dbraw/zinc/38/09/34/148380934.db2.gz URRHUENDABVELC-OLZOCXBDSA-N 1 0 307.287 2.032 10 0 DEAERO Cc1cc(C)nc(N2CC[NH+](CC3(O)CCC(C)CC3)CC2)n1 ZINC000408177955 148572402 /nfs/dbraw/zinc/57/24/02/148572402.db2.gz SQPGEYFVHYJWKI-UHFFFAOYSA-N 1 0 318.465 2.157 10 0 DEAERO CCOCC[N@@H+]1CCN([C@H](CC)C(=O)OC(C)(C)C)C[C@H]1C ZINC000192001489 286090694 /nfs/dbraw/zinc/09/06/94/286090694.db2.gz BWYQTXKTHTWNOJ-HUUCEWRRSA-N 1 0 314.470 2.149 10 0 DEAERO CCc1cc(C(=O)N(C)CCCN2CC[NH+](C)CC2)oc1CC ZINC000127267836 401726727 /nfs/dbraw/zinc/72/67/27/401726727.db2.gz URXBARFICQBPQN-UHFFFAOYSA-N 1 0 321.465 2.114 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](CC(C)C)C1 ZINC000074167511 401731897 /nfs/dbraw/zinc/73/18/97/401731897.db2.gz FCJFADNQCOKPOX-CVEARBPZSA-N 1 0 311.470 2.175 10 0 DEAERO CC[C@]1(C)CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000074167175 401732042 /nfs/dbraw/zinc/73/20/42/401732042.db2.gz OIHRCVJKQNCVHI-DOTOQJQBSA-N 1 0 311.470 2.319 10 0 DEAERO O=C(c1cnn2c1CCCC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000127556794 401740112 /nfs/dbraw/zinc/74/01/12/401740112.db2.gz UQDYLMXFNXKNIT-OAHLLOKOSA-N 1 0 316.449 2.167 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000074536508 401741880 /nfs/dbraw/zinc/74/18/80/401741880.db2.gz PQNQAROQRVALLT-UHFFFAOYSA-N 1 0 321.469 2.211 10 0 DEAERO O=C(c1cnn2c1CCCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000127631834 401743626 /nfs/dbraw/zinc/74/36/26/401743626.db2.gz XERHROZJAHVESV-UHFFFAOYSA-N 1 0 316.449 2.310 10 0 DEAERO Cc1nnc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)n1C1CC1 ZINC000127716469 401746749 /nfs/dbraw/zinc/74/67/49/401746749.db2.gz OZEKSURUQMEBRK-LSDHHAIUSA-N 1 0 300.410 2.391 10 0 DEAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccncc2)ncn1 ZINC000111227156 401701521 /nfs/dbraw/zinc/70/15/21/401701521.db2.gz NBPAKKRERLVBBF-UKRRQHHQSA-N 1 0 312.421 2.233 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2cc(Br)c[nH]2)CC[N@@H+]1C ZINC000127726053 401747379 /nfs/dbraw/zinc/74/73/79/401747379.db2.gz WKEAFYSXPQGGTE-GXSJLCMTSA-N 1 0 314.227 2.332 10 0 DEAERO COc1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccccc2)cc1OC ZINC000008037442 401747532 /nfs/dbraw/zinc/74/75/32/401747532.db2.gz NBYPPYGMCWFBQS-MRXNPFEDSA-N 1 0 321.398 2.178 10 0 DEAERO C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000126760862 401707496 /nfs/dbraw/zinc/70/74/96/401707496.db2.gz AHZHRNCESYRPBB-IAGOWNOFSA-N 1 0 302.418 2.318 10 0 DEAERO CCn1nccc1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000126794904 401708538 /nfs/dbraw/zinc/70/85/38/401708538.db2.gz WHZNXFRADOITGS-AWEZNQCLSA-N 1 0 306.454 2.276 10 0 DEAERO COc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2ccc(C)cc2)cc1 ZINC000008031211 401747660 /nfs/dbraw/zinc/74/76/60/401747660.db2.gz IWLGUGKYHHYLAS-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO Cc1ccccc1CS(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000111329014 401711425 /nfs/dbraw/zinc/71/14/25/401711425.db2.gz VEYQBFVCNQYITL-HNNXBMFYSA-N 1 0 310.463 2.289 10 0 DEAERO CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@H](C)C(C)(C)C ZINC000114475462 401801310 /nfs/dbraw/zinc/80/13/10/401801310.db2.gz GCNXZQHNDUOQOS-CYBMUJFWSA-N 1 0 319.449 2.328 10 0 DEAERO C[NH+]1CCN(c2cc(C(=O)N3CCCC(C)(C)C3)ccn2)CC1 ZINC000112681198 401753543 /nfs/dbraw/zinc/75/35/43/401753543.db2.gz VSZAMYFNXISFLH-UHFFFAOYSA-N 1 0 316.449 2.096 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccccc2)CC1 ZINC000112712127 401755892 /nfs/dbraw/zinc/75/58/92/401755892.db2.gz SBLYMIOEPXKWOX-AWEZNQCLSA-N 1 0 305.422 2.243 10 0 DEAERO C[C@H]1C[NH+](CCCNC(=O)N2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000112741893 401757330 /nfs/dbraw/zinc/75/73/30/401757330.db2.gz YXBUGEFTKYCIPR-GJZGRUSLSA-N 1 0 311.470 2.317 10 0 DEAERO CC(C)[C@@H](c1ccccc1)N(C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000112749134 401757576 /nfs/dbraw/zinc/75/75/76/401757576.db2.gz OSGGOCOAVCVGEL-SJORKVTESA-N 1 0 319.449 2.356 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCOCC2CC2)[C@H](C)C1 ZINC000128050229 401760655 /nfs/dbraw/zinc/76/06/55/401760655.db2.gz YQRHGZANIIGGLC-ZBFHGGJFSA-N 1 0 311.470 2.175 10 0 DEAERO CCNC(=O)NC(=O)[C@@H](C)[N@H+](Cc1ccco1)C1CCCC1 ZINC000128170471 401765998 /nfs/dbraw/zinc/76/59/98/401765998.db2.gz LZYDNPYLGDJKJQ-GFCCVEGCSA-N 1 0 307.394 2.258 10 0 DEAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCCN1CCOCC1 ZINC000075675367 401766365 /nfs/dbraw/zinc/76/63/65/401766365.db2.gz LKWXNHPIFPATFO-SFHVURJKSA-N 1 0 318.461 2.424 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1coc2ccccc12 ZINC000113149418 401768183 /nfs/dbraw/zinc/76/81/83/401768183.db2.gz OMSROKOYSQJZET-UHFFFAOYSA-N 1 0 302.374 2.275 10 0 DEAERO C[C@@H]1CN(C(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)C[C@@H](C)O1 ZINC000075831569 401769737 /nfs/dbraw/zinc/76/97/37/401769737.db2.gz NOJDMJIVNVAAQT-INMHGKMJSA-N 1 0 324.465 2.046 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCc1ccncc1 ZINC000113231374 401771628 /nfs/dbraw/zinc/77/16/28/401771628.db2.gz RHLYGUPPSKGZHG-DZGCQCFKSA-N 1 0 305.447 2.010 10 0 DEAERO CCOc1ccccc1NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113270081 401773655 /nfs/dbraw/zinc/77/36/55/401773655.db2.gz FQENKCGRLOVFNO-GJZGRUSLSA-N 1 0 317.433 2.192 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccccc2)n1C ZINC000113269618 401773673 /nfs/dbraw/zinc/77/36/73/401773673.db2.gz FTPKVMJJEQCIJH-GOEBONIOSA-N 1 0 311.433 2.151 10 0 DEAERO CC1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000128422018 401776166 /nfs/dbraw/zinc/77/61/66/401776166.db2.gz JIUDFLLNFBUAKA-HZPDHXFCSA-N 1 0 304.438 2.215 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)OCO2 ZINC000113367329 401777405 /nfs/dbraw/zinc/77/74/05/401777405.db2.gz DTZIUIAAZBTUDS-DGCLKSJQSA-N 1 0 303.362 2.116 10 0 DEAERO COc1cccc(OC)c1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113444727 401779359 /nfs/dbraw/zinc/77/93/59/401779359.db2.gz OXGYDRANCFTGSF-QWHCGFSZSA-N 1 0 304.390 2.013 10 0 DEAERO COc1ccc2c(CC(=O)N[C@@H]3CCCC[C@H]3[NH3+])coc2c1 ZINC000128540193 401782066 /nfs/dbraw/zinc/78/20/66/401782066.db2.gz SPVQWUYPANOALR-HUUCEWRRSA-N 1 0 302.374 2.370 10 0 DEAERO CCOc1ccccc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113601368 401783132 /nfs/dbraw/zinc/78/31/32/401783132.db2.gz BDPJCISQAXOFLD-HOCLYGCPSA-N 1 0 317.433 2.463 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cccc(F)c1 ZINC000113583765 401783189 /nfs/dbraw/zinc/78/31/89/401783189.db2.gz UMZFJZUEMQLUHI-CZUORRHYSA-N 1 0 305.397 2.246 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000128666215 401787169 /nfs/dbraw/zinc/78/71/69/401787169.db2.gz ABBSXKDAQDCVQT-RAEVTNRLSA-N 1 0 315.417 2.281 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000076483678 401796543 /nfs/dbraw/zinc/79/65/43/401796543.db2.gz IWIDAUQQEPJDJG-OCCSQVGLSA-N 1 0 304.390 2.218 10 0 DEAERO CSCCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000077572361 401820869 /nfs/dbraw/zinc/82/08/69/401820869.db2.gz BRJKNXCYSARWFZ-HNNXBMFYSA-N 1 0 309.479 2.212 10 0 DEAERO [NH3+][C@@H]1CCO[C@H]1c1ncc(Br)cc1Br ZINC000130220482 401823444 /nfs/dbraw/zinc/82/34/44/401823444.db2.gz VFILQCIAAYCNDG-VXNVDRBHSA-N 1 0 322.000 2.395 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(CCOC)CC2)[C@H](C)C1 ZINC000130276841 401825656 /nfs/dbraw/zinc/82/56/56/401825656.db2.gz ABSJGLHMYOVIMQ-HUUCEWRRSA-N 1 0 311.470 2.175 10 0 DEAERO CC(C)NC(=O)CC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000025922920 401837973 /nfs/dbraw/zinc/83/79/73/401837973.db2.gz CXXVQLSAMZHCOY-UHFFFAOYSA-N 1 0 323.868 2.372 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CC(F)(F)F ZINC000116247371 401847150 /nfs/dbraw/zinc/84/71/50/401847150.db2.gz JDIDDATURWGCRR-YPMHNXCESA-N 1 0 315.339 2.361 10 0 DEAERO CCN(C(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)C1CCCCC1 ZINC000116317952 401849234 /nfs/dbraw/zinc/84/92/34/401849234.db2.gz XBIHBRHGWNVISN-OAHLLOKOSA-N 1 0 318.465 2.391 10 0 DEAERO CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000078394395 401849760 /nfs/dbraw/zinc/84/97/60/401849760.db2.gz PBWYBUXNVJTXFP-CQSZACIVSA-N 1 0 307.463 2.049 10 0 DEAERO CC1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)CC1 ZINC000116321765 401849979 /nfs/dbraw/zinc/84/99/79/401849979.db2.gz CUXZWEQFGXAVCB-ISXOHVOVSA-N 1 0 318.465 2.247 10 0 DEAERO CC[C@H](CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116787310 401859114 /nfs/dbraw/zinc/85/91/14/401859114.db2.gz PBBVJUOSMPTUHR-WBVHZDCISA-N 1 0 304.434 2.359 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)CCO1 ZINC000116792194 401859464 /nfs/dbraw/zinc/85/94/64/401859464.db2.gz YGDGJLZAPBZBNM-ZDUSSCGKSA-N 1 0 322.792 2.489 10 0 DEAERO C[C@H]1CCc2sc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc2C1 ZINC000116788330 401859486 /nfs/dbraw/zinc/85/94/86/401859486.db2.gz JIWKOLUQXDXXSD-GXTWGEPZSA-N 1 0 322.474 2.276 10 0 DEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000077370878 401813063 /nfs/dbraw/zinc/81/30/63/401813063.db2.gz KJAWFMIDOKBTPF-OKILXGFUSA-N 1 0 316.401 2.172 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCCO1 ZINC000087159799 401928318 /nfs/dbraw/zinc/92/83/18/401928318.db2.gz OUBIBHDXYXHJBL-SJORKVTESA-N 1 0 304.434 2.235 10 0 DEAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000079487898 401873657 /nfs/dbraw/zinc/87/36/57/401873657.db2.gz SGOCRGPKHOKVHK-WBVHZDCISA-N 1 0 319.449 2.327 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000117399089 401876376 /nfs/dbraw/zinc/87/63/76/401876376.db2.gz HGWGGOFXKRWPOG-OAHLLOKOSA-N 1 0 309.385 2.400 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccccc2)CC[N@@H+]1CCOC ZINC000117494104 401878500 /nfs/dbraw/zinc/87/85/00/401878500.db2.gz SELVIQLUWMNYLO-NVXWUHKLSA-N 1 0 319.449 2.500 10 0 DEAERO C[C@H](Oc1cccnc1)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000117746965 401882636 /nfs/dbraw/zinc/88/26/36/401882636.db2.gz PCTBBNHFUMNBLV-YOEHRIQHSA-N 1 0 313.401 2.268 10 0 DEAERO C[C@@H]1c2ccccc2O[C@H]1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000117756267 401883160 /nfs/dbraw/zinc/88/31/60/401883160.db2.gz IPJVTKWLKBRVMW-RHSMWYFYSA-N 1 0 302.418 2.399 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC000117783713 401884593 /nfs/dbraw/zinc/88/45/93/401884593.db2.gz INTXIWWGELFYIH-LSDHHAIUSA-N 1 0 302.418 2.495 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)Cc2nccs2)CC1 ZINC000080671920 401891764 /nfs/dbraw/zinc/89/17/64/401891764.db2.gz QOFMMNKALUVOCG-UHFFFAOYSA-N 1 0 310.467 2.407 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3ccoc3)no2)[C@H](C)C1 ZINC000081095940 401893570 /nfs/dbraw/zinc/89/35/70/401893570.db2.gz OPBUAIVIWZGIRJ-OCCSQVGLSA-N 1 0 304.394 2.492 10 0 DEAERO Cn1nc(C(=O)NCC[NH+]2CCCC2)cc1-c1cccc(F)c1 ZINC000034901769 401893779 /nfs/dbraw/zinc/89/37/79/401893779.db2.gz RCDJNSGWWWHYNB-UHFFFAOYSA-N 1 0 316.380 2.052 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000081106636 401894449 /nfs/dbraw/zinc/89/44/49/401894449.db2.gz ZPGFYDHJZJKWSX-CQSZACIVSA-N 1 0 318.421 2.133 10 0 DEAERO CC[N@H+](CCNC(=O)NCCc1cc(F)ccc1F)C1CC1 ZINC000083215462 401900823 /nfs/dbraw/zinc/90/08/23/401900823.db2.gz OEFVUYDWTLHTTC-UHFFFAOYSA-N 1 0 311.376 2.291 10 0 DEAERO COc1cc(OC)cc([C@H]2CC[N@H+](CCN3CCCC3=O)C2)c1 ZINC000083252240 401901360 /nfs/dbraw/zinc/90/13/60/401901360.db2.gz IDTKENKVUARWAH-AWEZNQCLSA-N 1 0 318.417 2.116 10 0 DEAERO C[C@@H](O)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000118729367 401905814 /nfs/dbraw/zinc/90/58/14/401905814.db2.gz QYJSIMBSNCHAJX-QAPCUYQASA-N 1 0 316.445 2.270 10 0 DEAERO CC(C)Oc1ccccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000118803522 401908497 /nfs/dbraw/zinc/90/84/97/401908497.db2.gz BAZXPBJCWMKNBR-AWEZNQCLSA-N 1 0 321.421 2.268 10 0 DEAERO NC(=O)C1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000037152282 401910842 /nfs/dbraw/zinc/91/08/42/401910842.db2.gz CHUBUNZNUBWXSD-UHFFFAOYSA-N 1 0 301.184 2.176 10 0 DEAERO O=C(Cc1cnc2ccccc2c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000118879870 401913774 /nfs/dbraw/zinc/91/37/74/401913774.db2.gz UYOSBCRDUQLRQQ-AWEZNQCLSA-N 1 0 309.413 2.378 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1cc(F)ccc1Br ZINC000085903320 401919899 /nfs/dbraw/zinc/91/98/99/401919899.db2.gz WYKYUQWBKWJFIV-CYBMUJFWSA-N 1 0 320.202 2.465 10 0 DEAERO CC(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000134973615 401922207 /nfs/dbraw/zinc/92/22/07/401922207.db2.gz VOCUFQXQDHJJTR-MRXNPFEDSA-N 1 0 318.417 2.304 10 0 DEAERO Cc1cc(C)cc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000135703908 401951126 /nfs/dbraw/zinc/95/11/26/401951126.db2.gz NNUYGEIGTOJPAZ-KRWDZBQOSA-N 1 0 322.474 2.303 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)CC[NH+](C)C ZINC000119454296 401951240 /nfs/dbraw/zinc/95/12/40/401951240.db2.gz FEWOGVPUIOXZEN-DGCLKSJQSA-N 1 0 321.396 2.054 10 0 DEAERO c1ncn([C@@H]2CCC[N@@H+](Cc3cccc4c3OCCCO4)C2)n1 ZINC000119481276 401953062 /nfs/dbraw/zinc/95/30/62/401953062.db2.gz FCDQIEWBPWUSGA-OAHLLOKOSA-N 1 0 314.389 2.277 10 0 DEAERO CSCCC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000119549583 401958282 /nfs/dbraw/zinc/95/82/82/401958282.db2.gz VVRVBZZZBUIJPG-OAHLLOKOSA-N 1 0 321.490 2.066 10 0 DEAERO CCO[C@H](C)c1noc(CN2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000120670683 401997663 /nfs/dbraw/zinc/99/76/63/401997663.db2.gz HUSWUPQABQIXQR-CQSZACIVSA-N 1 0 322.453 2.475 10 0 DEAERO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000119582692 401959773 /nfs/dbraw/zinc/95/97/73/401959773.db2.gz SYEOECOUXNYZNN-NEPJUHHUSA-N 1 0 312.385 2.026 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([S@](C)=O)cc1 ZINC000046860992 401974390 /nfs/dbraw/zinc/97/43/90/401974390.db2.gz JURXFXWJZWNMCR-YEJXKQKISA-N 1 0 308.447 2.028 10 0 DEAERO CCCn1cc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000120078613 401976723 /nfs/dbraw/zinc/97/67/23/401976723.db2.gz VYUBBKUTYFNHMX-SOLBZPMBSA-N 1 0 320.481 2.367 10 0 DEAERO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090003946 401977867 /nfs/dbraw/zinc/97/78/67/401977867.db2.gz KOUPXTWVSDHLJM-HZPDHXFCSA-N 1 0 320.481 2.225 10 0 DEAERO C[C@@H](CCO)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000090740040 401987007 /nfs/dbraw/zinc/98/70/07/401987007.db2.gz GTFYHWCCEAPYPO-KBPBESRZSA-N 1 0 300.443 2.242 10 0 DEAERO N[C@@H](CCC[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000142649170 401990587 /nfs/dbraw/zinc/99/05/87/401990587.db2.gz CZKAFDAWTJPERP-SFHVURJKSA-N 1 0 310.397 2.408 10 0 DEAERO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCC2)c(C)s1 ZINC000048381885 401999474 /nfs/dbraw/zinc/99/94/74/401999474.db2.gz YZWRIZAZCYLESA-UHFFFAOYSA-N 1 0 302.465 2.129 10 0 DEAERO Cc1ccc(C)c(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000150793034 401996096 /nfs/dbraw/zinc/99/60/96/401996096.db2.gz BRDKQGQCZMCIDB-HOCLYGCPSA-N 1 0 317.433 2.087 10 0 DEAERO CC[C@@H]1CCCCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000119334291 401942190 /nfs/dbraw/zinc/94/21/90/401942190.db2.gz JXJSMANAUHZOIG-MRXNPFEDSA-N 1 0 311.470 2.463 10 0 DEAERO CC[C@H](CCO)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000135562133 401945448 /nfs/dbraw/zinc/94/54/48/401945448.db2.gz JLMFNBKCZASQDS-SNVBAGLBSA-N 1 0 318.211 2.414 10 0 DEAERO CCC[C@H](O)C[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000135561885 401945529 /nfs/dbraw/zinc/94/55/29/401945529.db2.gz AEJMMHOKMLVLQF-JTQLQIEISA-N 1 0 318.211 2.414 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(N2CCCC2)nc1 ZINC000093437434 402015455 /nfs/dbraw/zinc/01/54/55/402015455.db2.gz RUFZCIKUAMSCRG-NVXWUHKLSA-N 1 0 300.450 2.350 10 0 DEAERO CCNC(=O)NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000050273690 402026794 /nfs/dbraw/zinc/02/67/94/402026794.db2.gz SIBHZTAMTSDNMR-CQSZACIVSA-N 1 0 309.797 2.226 10 0 DEAERO Cc1cc(CC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)n[nH]1 ZINC000121375364 402032350 /nfs/dbraw/zinc/03/23/50/402032350.db2.gz TXYPWZSOOCFQGR-UHFFFAOYSA-N 1 0 314.433 2.417 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCOc2ccc(C)cc2)C1 ZINC000052498135 402043152 /nfs/dbraw/zinc/04/31/52/402043152.db2.gz SWIHOJHXUONJIJ-HNNXBMFYSA-N 1 0 305.422 2.157 10 0 DEAERO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C)C1 ZINC000053202964 402052946 /nfs/dbraw/zinc/05/29/46/402052946.db2.gz PMALHBFPMMEXCN-NSHDSACASA-N 1 0 302.827 2.021 10 0 DEAERO CCC(CC)CS(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151806920 402057912 /nfs/dbraw/zinc/05/79/12/402057912.db2.gz KEBOGYQSOUQRLJ-UHFFFAOYSA-N 1 0 304.500 2.462 10 0 DEAERO O=C(C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCCCCC1 ZINC000120762274 402001601 /nfs/dbraw/zinc/00/16/01/402001601.db2.gz OLAYHUJEAAMBAA-IAGOWNOFSA-N 1 0 308.466 2.405 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](CCO)CC(C)C ZINC000120866589 402005089 /nfs/dbraw/zinc/00/50/89/402005089.db2.gz XUGCIDRHJSLFME-HOTGVXAUSA-N 1 0 313.486 2.157 10 0 DEAERO COc1cccc(OCC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000120963400 402008697 /nfs/dbraw/zinc/00/86/97/402008697.db2.gz UFRQONJICQRORS-CQSZACIVSA-N 1 0 308.422 2.167 10 0 DEAERO COc1ccc([C@H]([NH2+]Cc2cnnn2C)C2CCOCC2)cc1 ZINC000092852789 402009797 /nfs/dbraw/zinc/00/97/97/402009797.db2.gz WAWXTDOEGSPAAF-KRWDZBQOSA-N 1 0 316.405 2.081 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC)cc2O)[C@H](C)C1 ZINC000122302678 402071510 /nfs/dbraw/zinc/07/15/10/402071510.db2.gz WGMGSDFVNYETTN-IUODEOHRSA-N 1 0 306.406 2.203 10 0 DEAERO C[C@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@@H]1N1CCOCC1 ZINC000152152868 402079097 /nfs/dbraw/zinc/07/90/97/402079097.db2.gz SSZTUWSXMNZKSC-GUYCJALGSA-N 1 0 310.388 2.160 10 0 DEAERO C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000152174117 402080068 /nfs/dbraw/zinc/08/00/68/402080068.db2.gz RNVPMVPGRSICDI-CQSZACIVSA-N 1 0 302.422 2.211 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(-n3cccn3)c2)CC[N@@H+]1C ZINC000122667094 402089222 /nfs/dbraw/zinc/08/92/22/402089222.db2.gz YCTOUVNCCWFDIH-ZBFHGGJFSA-N 1 0 312.417 2.427 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2cccc3c2OCCO3)CC[N@@H+]1C ZINC000122731982 402092056 /nfs/dbraw/zinc/09/20/56/402092056.db2.gz YPQWGYQVBPWVND-CHWSQXEVSA-N 1 0 304.390 2.013 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)N(C)CC2CCCCC2)CC[N@@H+]1C ZINC000123113305 402111300 /nfs/dbraw/zinc/11/13/00/402111300.db2.gz XJQVZYAQPIQZCP-WBVHZDCISA-N 1 0 309.498 2.440 10 0 DEAERO C[C@H]1C[C@@H](N(C)Cc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1C ZINC000123117017 402111675 /nfs/dbraw/zinc/11/16/75/402111675.db2.gz XEOXULBCLNANRT-YOEHRIQHSA-N 1 0 303.450 2.303 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)C1 ZINC000063342666 402112650 /nfs/dbraw/zinc/11/26/50/402112650.db2.gz ZJLVVOPPFXCEHV-ZBFHGGJFSA-N 1 0 318.417 2.257 10 0 DEAERO CSc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000097359293 402122171 /nfs/dbraw/zinc/12/21/71/402122171.db2.gz GJVGEICLXZILTQ-UHFFFAOYSA-N 1 0 308.447 2.251 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000123510395 402131970 /nfs/dbraw/zinc/13/19/70/402131970.db2.gz RDIYJTCJGAVDBX-ZDUSSCGKSA-N 1 0 300.805 2.368 10 0 DEAERO COCCC[N@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000066378267 402132464 /nfs/dbraw/zinc/13/24/64/402132464.db2.gz MHAMRGCKLAIBPW-HNNXBMFYSA-N 1 0 301.814 2.186 10 0 DEAERO CC(C)c1ccc([C@@H](C)[NH2+]CCCN2C(=O)CNC2=O)cc1 ZINC000066411313 402132769 /nfs/dbraw/zinc/13/27/69/402132769.db2.gz CGTJUVHJIYWGDL-CYBMUJFWSA-N 1 0 303.406 2.403 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)NCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123555555 402134276 /nfs/dbraw/zinc/13/42/76/402134276.db2.gz LDNNSXMHDJKRBZ-XJKSGUPXSA-N 1 0 323.868 2.371 10 0 DEAERO COc1cc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)ccc1F ZINC000153288861 402137098 /nfs/dbraw/zinc/13/70/98/402137098.db2.gz OMEYBQJFUFNMCU-QMMMGPOBSA-N 1 0 308.275 2.163 10 0 DEAERO Cc1ccccc1CNC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123591979 402137282 /nfs/dbraw/zinc/13/72/82/402137282.db2.gz USOFYONACBRODL-NVXWUHKLSA-N 1 0 303.450 2.026 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2cc(C(C)(C)C)no2)CC[N@@H+]1C ZINC000123618480 402138342 /nfs/dbraw/zinc/13/83/42/402138342.db2.gz YFOLKYKSEJYNBS-OLZOCXBDSA-N 1 0 322.453 2.325 10 0 DEAERO C[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000123695207 402142110 /nfs/dbraw/zinc/14/21/10/402142110.db2.gz VNYCYXUBYXMILQ-GFCCVEGCSA-N 1 0 322.405 2.366 10 0 DEAERO CC[N@H+](C)Cc1cccc(CNC(=O)c2c[nH]c(=O)cc2C)c1 ZINC000123816541 402147398 /nfs/dbraw/zinc/14/73/98/402147398.db2.gz QNQFBMAAPXJIQN-UHFFFAOYSA-N 1 0 313.401 2.065 10 0 DEAERO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)ccc1F ZINC000124465659 402181028 /nfs/dbraw/zinc/18/10/28/402181028.db2.gz GHPICUHQILWZMZ-MRXNPFEDSA-N 1 0 320.408 2.205 10 0 DEAERO Cc1cc2c(c(-c3ccc(-c4nccn4C)nn3)c1)O[C@H](C[NH3+])C2 ZINC000067982723 402181858 /nfs/dbraw/zinc/18/18/58/402181858.db2.gz LPMNKIPEOOSQQQ-ZDUSSCGKSA-N 1 0 321.384 2.115 10 0 DEAERO COC[C@H](C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000103388463 402186279 /nfs/dbraw/zinc/18/62/79/402186279.db2.gz SMPYCFJZUNPZJW-ZDUSSCGKSA-N 1 0 308.447 2.456 10 0 DEAERO CCCC(C)(C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000068423382 402197223 /nfs/dbraw/zinc/19/72/23/402197223.db2.gz NUZHWYLJHBKVBD-UHFFFAOYSA-N 1 0 304.438 2.142 10 0 DEAERO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124838766 402200170 /nfs/dbraw/zinc/20/01/70/402200170.db2.gz NHBKRIFZIKKERN-CRAIPNDOSA-N 1 0 307.434 2.397 10 0 DEAERO c1ccn2c(c1)nnc2C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000067442940 402159899 /nfs/dbraw/zinc/15/98/99/402159899.db2.gz RRVNBKJVOYGFDH-OAHLLOKOSA-N 1 0 300.406 2.478 10 0 DEAERO C[C@@H]1CCCN(C(=O)C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)C1 ZINC000124075438 402162908 /nfs/dbraw/zinc/16/29/08/402162908.db2.gz PESMDPSCTNQYMY-RKVPGOIHSA-N 1 0 310.482 2.412 10 0 DEAERO CCC[C@@H](C(=O)Nc1cc2c(cc1F)NC(=O)CC2)[NH+](C)C ZINC000154269566 402202634 /nfs/dbraw/zinc/20/26/34/402202634.db2.gz SCSQRGWKJNBRDW-AWEZNQCLSA-N 1 0 307.369 2.379 10 0 DEAERO C[C@@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000067699395 402168436 /nfs/dbraw/zinc/16/84/36/402168436.db2.gz WLUMEXBQPPPWBS-WBVHZDCISA-N 1 0 323.481 2.461 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(F)cn1 ZINC000103071656 402177780 /nfs/dbraw/zinc/17/77/80/402177780.db2.gz OZIPJUKQDCZTIG-UHFFFAOYSA-N 1 0 303.337 2.413 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000125136455 402215047 /nfs/dbraw/zinc/21/50/47/402215047.db2.gz JERZPCZGLIIJLI-CQSZACIVSA-N 1 0 318.417 2.259 10 0 DEAERO CCc1ccc(CN2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)s1 ZINC000154570817 402218790 /nfs/dbraw/zinc/21/87/90/402218790.db2.gz GDXREJNNJVXARB-MRXNPFEDSA-N 1 0 323.506 2.295 10 0 DEAERO CC(C)C[C@@H](CNC(=O)c1ccc(-c2ncon2)cc1)[NH+](C)C ZINC000107357941 402230673 /nfs/dbraw/zinc/23/06/73/402230673.db2.gz QDZZKFBIOSXOIU-HNNXBMFYSA-N 1 0 316.405 2.443 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc3c(s2)CCOC3)C1 ZINC000155647797 402264316 /nfs/dbraw/zinc/26/43/16/402264316.db2.gz YQODEPWLXLYBGQ-YPMHNXCESA-N 1 0 308.447 2.279 10 0 DEAERO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c1 ZINC000125481099 402234653 /nfs/dbraw/zinc/23/46/53/402234653.db2.gz LRWXQPSYGHFMOI-CXAGYDPISA-N 1 0 309.406 2.144 10 0 DEAERO CN1CCC(CNC(=O)[C@H]2CC2(C)C)([NH+]2CCCCC2)CC1 ZINC000125502057 402235934 /nfs/dbraw/zinc/23/59/34/402235934.db2.gz WOGIXGHPWLEIAH-OAHLLOKOSA-N 1 0 307.482 2.099 10 0 DEAERO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1C)C(=O)OC ZINC000155042217 402242594 /nfs/dbraw/zinc/24/25/94/402242594.db2.gz HNJWGRIOBFSNLV-JDFRZJQESA-N 1 0 320.433 2.350 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000069773789 402243980 /nfs/dbraw/zinc/24/39/80/402243980.db2.gz IDKJTERATUXEEY-TZMCWYRMSA-N 1 0 309.458 2.065 10 0 DEAERO Cc1ccc(OC[C@@H](O)CN2CCC([NH2+]C(C)C)CC2)cc1 ZINC000108370771 402252494 /nfs/dbraw/zinc/25/24/94/402252494.db2.gz XIGUPSFSMKYLMA-KRWDZBQOSA-N 1 0 306.450 2.197 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCc1sc(C)nc1C ZINC000108552319 402256989 /nfs/dbraw/zinc/25/69/89/402256989.db2.gz AHCCLCYOPPAPNQ-NSHDSACASA-N 1 0 312.483 2.332 10 0 DEAERO [NH3+][C@H]1CCN(c2cc(-c3ccncc3)nc(-c3ccncc3)n2)C1 ZINC000070455867 402260465 /nfs/dbraw/zinc/26/04/65/402260465.db2.gz JDCBWHCGJNBKLF-HNNXBMFYSA-N 1 0 318.384 2.138 10 0 DEAERO O=S(=O)(c1cccc2ccccc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000154350740 402207675 /nfs/dbraw/zinc/20/76/75/402207675.db2.gz VTTCWZJKWZNWIY-KRWDZBQOSA-N 1 0 316.426 2.214 10 0 DEAERO CC(C)C[C@@H](C)N(C)C(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000108864802 402263041 /nfs/dbraw/zinc/26/30/41/402263041.db2.gz LPZSKHWJPSMIJF-MRXNPFEDSA-N 1 0 309.498 2.440 10 0 DEAERO C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105918373 402211231 /nfs/dbraw/zinc/21/12/31/402211231.db2.gz AYHDFMRFRDWXKZ-OAHLLOKOSA-N 1 0 318.465 2.076 10 0 DEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCC(=O)OC(C)(C)C)C2)n1 ZINC000105919703 402211419 /nfs/dbraw/zinc/21/14/19/402211419.db2.gz LLKBKJWLPNEQSH-HNNXBMFYSA-N 1 0 322.453 2.339 10 0 DEAERO COCc1csc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000125087283 402212374 /nfs/dbraw/zinc/21/23/74/402212374.db2.gz LPPDFRBEGVSJDY-PWSUYJOCSA-N 1 0 312.439 2.140 10 0 DEAERO Cc1ccc([C@H](CNC(=O)NC[C@H](O)C(C)C)[NH+]2CCCC2)o1 ZINC000154447960 402213120 /nfs/dbraw/zinc/21/31/20/402213120.db2.gz VRXRDPOXEDFWJO-GJZGRUSLSA-N 1 0 323.437 2.041 10 0 DEAERO CCc1cccc(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000126153527 402267382 /nfs/dbraw/zinc/26/73/82/402267382.db2.gz NUHXLXQXPREXPF-SFHVURJKSA-N 1 0 318.461 2.361 10 0 DEAERO CCc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)c1 ZINC000110085870 402281365 /nfs/dbraw/zinc/28/13/65/402281365.db2.gz KCYHGABYAMBERA-INIZCTEOSA-N 1 0 305.422 2.481 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@H]2CCC(C)(C)O2)CC1 ZINC000184655187 402289163 /nfs/dbraw/zinc/28/91/63/402289163.db2.gz IHFNMYLBOSZHQM-DLBZAZTESA-N 1 0 309.498 2.046 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCOCc1ccccc1 ZINC000176207611 402290852 /nfs/dbraw/zinc/29/08/52/402290852.db2.gz ZJBUIKZMUMUBFG-HNNXBMFYSA-N 1 0 307.438 2.233 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnc(C(F)(F)F)nc1 ZINC000157884037 402299193 /nfs/dbraw/zinc/29/91/93/402299193.db2.gz 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C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccoc1C1CC1 ZINC000373846341 404611435 /nfs/dbraw/zinc/61/14/35/404611435.db2.gz TVIXCAPGLVWHQS-VNQPRFMTSA-N 1 0 318.417 2.481 10 0 DEAERO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)n1 ZINC000374072419 404685697 /nfs/dbraw/zinc/68/56/97/404685697.db2.gz PTMLLJSEEVUSGJ-IGQOVBAYSA-N 1 0 309.410 2.116 10 0 DEAERO c1onc(Cc2ccccc2)c1CN1CCO[C@]2(CCOC2)C1 ZINC000352936280 404697586 /nfs/dbraw/zinc/69/75/86/404697586.db2.gz XEQFEGPHXRYBEC-GOSISDBHSA-N 1 0 314.385 2.257 10 0 DEAERO C[C@@]1(CNC(=O)c2ccnnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000374155629 404699742 /nfs/dbraw/zinc/69/97/42/404699742.db2.gz BWNORDDCEKRCST-SFHVURJKSA-N 1 0 310.401 2.119 10 0 DEAERO C[C@@H]1OCC[C@]12CN(Cc1ccc(-c3cc[nH]n3)o1)CCO2 ZINC000366252555 404779649 /nfs/dbraw/zinc/77/96/49/404779649.db2.gz SJQGSLXOAQQIER-LRDDRELGSA-N 1 0 303.362 2.050 10 0 DEAERO Cc1nccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000366470278 404797561 /nfs/dbraw/zinc/79/75/61/404797561.db2.gz USFUQKYMNCNBJH-QGZVFWFLSA-N 1 0 305.422 2.335 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(N)=O)CC2)C12CCCCC2 ZINC000119048750 286488610 /nfs/dbraw/zinc/48/86/10/286488610.db2.gz IJWOPRYZRAFITP-CABCVRRESA-N 1 0 309.454 2.247 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](CCCCC(F)(F)F)CC12COC2 ZINC000451138134 404878359 /nfs/dbraw/zinc/87/83/59/404878359.db2.gz PZVFOUYZQUXVIJ-NSHDSACASA-N 1 0 309.328 2.231 10 0 DEAERO CC(=O)c1ccccc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378235955 404904022 /nfs/dbraw/zinc/90/40/22/404904022.db2.gz XVGNQGVINQCKPK-RHSMWYFYSA-N 1 0 300.402 2.493 10 0 DEAERO C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@H]1[NH3+] ZINC000423955232 404945673 /nfs/dbraw/zinc/94/56/73/404945673.db2.gz ORFYOSSVZJKVRY-GXFFZTMASA-N 1 0 323.234 2.286 10 0 DEAERO O=C(C1CC1)N1CCCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000378568548 405001907 /nfs/dbraw/zinc/00/19/07/405001907.db2.gz DWGPERYDJGCBHT-UHFFFAOYSA-N 1 0 314.389 2.114 10 0 DEAERO CO[C@@]1(C[NH2+]Cc2ccsc2Br)CCOC1 ZINC000388989548 405037001 /nfs/dbraw/zinc/03/70/01/405037001.db2.gz UFNSUULPUVJTMV-LLVKDONJSA-N 1 0 306.225 2.406 10 0 DEAERO CC(=O)C[C@@H](C)NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000367333855 405016265 /nfs/dbraw/zinc/01/62/65/405016265.db2.gz LMBVTYGTBVAZFJ-CYBMUJFWSA-N 1 0 303.406 2.090 10 0 DEAERO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccnc(C)n2)cc1 ZINC000361330388 405025674 /nfs/dbraw/zinc/02/56/74/405025674.db2.gz IBTJDVFAIWSGAH-LBPRGKRZSA-N 1 0 315.373 2.188 10 0 DEAERO C[C@@H](NC(=O)c1ncccc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383686773 405032242 /nfs/dbraw/zinc/03/22/42/405032242.db2.gz PVHFYMVCOWGAFJ-ZBFHGGJFSA-N 1 0 324.428 2.304 10 0 DEAERO C[C@H]1CCOCC[N@@H+]1C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000367291727 404998416 /nfs/dbraw/zinc/99/84/16/404998416.db2.gz PCAWTEUSTABAFX-HOTGVXAUSA-N 1 0 302.418 2.260 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2COCC2(C)C)c1 ZINC000451815543 405049621 /nfs/dbraw/zinc/04/96/21/405049621.db2.gz ZYFFWARBVQLQOF-NHYWBVRUSA-N 1 0 304.390 2.231 10 0 DEAERO Brc1ccc2c(c1)CC[C@H]([NH2+]Cc1cnn[nH]1)C2 ZINC000398372968 405060191 /nfs/dbraw/zinc/06/01/91/405060191.db2.gz PMZXEMVVPCJUEK-LBPRGKRZSA-N 1 0 307.195 2.214 10 0 DEAERO CC(C)NC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404162391 405068551 /nfs/dbraw/zinc/06/85/51/405068551.db2.gz YXMHIVQBHZMZDQ-SJORKVTESA-N 1 0 317.433 2.080 10 0 DEAERO CC(=O)c1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)[nH]1 ZINC000408013731 405089137 /nfs/dbraw/zinc/08/91/37/405089137.db2.gz NYCDJGMGLZEQPI-UHFFFAOYSA-N 1 0 303.406 2.308 10 0 DEAERO Cn1c2ccc(C[N@@H+]3CC[C@H](C(C)(C)C)[C@@H](O)C3)cc2oc1=O ZINC000408012416 405089533 /nfs/dbraw/zinc/08/95/33/405089533.db2.gz IPKINMQXXJSETI-ZFWWWQNUSA-N 1 0 318.417 2.360 10 0 DEAERO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000408022914 405092426 /nfs/dbraw/zinc/09/24/26/405092426.db2.gz OYMSZKZIRJLNCZ-NXEZZACHSA-N 1 0 306.797 2.381 10 0 DEAERO Cc1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)o1 ZINC000408096377 405111582 /nfs/dbraw/zinc/11/15/82/405111582.db2.gz ASQXSNZSINCQHQ-UHFFFAOYSA-N 1 0 300.424 2.129 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)o1 ZINC000408099938 405112412 /nfs/dbraw/zinc/11/24/12/405112412.db2.gz ZLTNTGGNUMEKGG-KGLIPLIRSA-N 1 0 312.435 2.224 10 0 DEAERO C[NH+](C)CC1(C(=O)N2CCCC[C@H]2c2nc[nH]n2)CCCCC1 ZINC000408224697 405145478 /nfs/dbraw/zinc/14/54/78/405145478.db2.gz QFOLQICXGVWRKU-AWEZNQCLSA-N 1 0 319.453 2.370 10 0 DEAERO C(C[NH+]1CCCCC1)O[C@H]1CCN(c2nc(C3CCC3)no2)C1 ZINC000568474250 292342418 /nfs/dbraw/zinc/34/24/18/292342418.db2.gz ZOMBPJIFLRCSMQ-HNNXBMFYSA-N 1 0 320.437 2.418 10 0 DEAERO COC(=O)C1=C(C)O[C@H](C[NH+]2CCC(C3CCOCC3)CC2)C1 ZINC000367952760 405202535 /nfs/dbraw/zinc/20/25/35/405202535.db2.gz WLBWBTWRTQZOPZ-INIZCTEOSA-N 1 0 323.433 2.361 10 0 DEAERO COc1ccc(O)cc1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000408440130 405207616 /nfs/dbraw/zinc/20/76/16/405207616.db2.gz YKRMFMLRQVUOMJ-UHFFFAOYSA-N 1 0 304.390 2.101 10 0 DEAERO CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCCNc1cc[nH+]cc1 ZINC000439041322 405263668 /nfs/dbraw/zinc/26/36/68/405263668.db2.gz QGXAEWOIAAVKIC-PVAVHDDUSA-N 1 0 319.449 2.406 10 0 DEAERO CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+]Cc2cncnc2)CC1 ZINC000368048161 405222950 /nfs/dbraw/zinc/22/29/50/405222950.db2.gz WZBYKJFKQRRZGO-CQSZACIVSA-N 1 0 318.421 2.356 10 0 DEAERO OCCC1([NH2+]C[C@@H](O)COCc2ccccc2)CCCCC1 ZINC000440896407 405330320 /nfs/dbraw/zinc/33/03/20/405330320.db2.gz RVCQAYJIIGOYHF-QGZVFWFLSA-N 1 0 307.434 2.239 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc(I)cn1 ZINC000420196293 405294370 /nfs/dbraw/zinc/29/43/70/405294370.db2.gz LKZHLPBNGLTEBK-WPRPVWTQSA-N 1 0 317.174 2.226 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)Nc2ccc(N3CCC3=O)cc2)CC[N@@H+]1C ZINC000439970428 405298422 /nfs/dbraw/zinc/29/84/22/405298422.db2.gz ZZSOSOQDCONBQR-JSGCOSHPSA-N 1 0 316.405 2.028 10 0 DEAERO CCCC[N@H+](C)CCNC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439964607 405298574 /nfs/dbraw/zinc/29/85/74/405298574.db2.gz YLNIVGBTTNQGRF-UHFFFAOYSA-N 1 0 318.421 2.277 10 0 DEAERO c1ccc(-n2nnnc2CC[NH2+][C@@H](c2cccnc2)C2CC2)cc1 ZINC000445767712 405356737 /nfs/dbraw/zinc/35/67/37/405356737.db2.gz SUUBYQLKRUBPIM-GOSISDBHSA-N 1 0 320.400 2.341 10 0 DEAERO Cc1nn(C)cc1CC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000448715749 405440889 /nfs/dbraw/zinc/44/08/89/405440889.db2.gz SMAXALGRTPOHAQ-GJZGRUSLSA-N 1 0 320.481 2.145 10 0 DEAERO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2cn(C)nc2C)c1 ZINC000448774469 405447163 /nfs/dbraw/zinc/44/71/63/405447163.db2.gz KYNSKJGKHXWEBZ-UHFFFAOYSA-N 1 0 314.433 2.039 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000457758343 405469026 /nfs/dbraw/zinc/46/90/26/405469026.db2.gz REGMSLQOXGLLRN-UHFFFAOYSA-N 1 0 316.401 2.163 10 0 DEAERO CCc1ncc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)s1 ZINC000492065880 405475901 /nfs/dbraw/zinc/47/59/01/405475901.db2.gz UCJOHFYRARBOEV-VXGBXAGGSA-N 1 0 302.465 2.151 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)c1c(Cl)cccc1Cl ZINC000638586087 405558897 /nfs/dbraw/zinc/55/88/97/405558897.db2.gz HGOKDWSZWFZHFO-UHFFFAOYSA-N 1 0 305.205 2.301 10 0 DEAERO CCc1noc(C)c1CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000458818728 405608115 /nfs/dbraw/zinc/60/81/15/405608115.db2.gz OKZGJMGLSXWAPF-HNNXBMFYSA-N 1 0 308.426 2.027 10 0 DEAERO COc1nsc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1Br ZINC000638692268 405620105 /nfs/dbraw/zinc/62/01/05/405620105.db2.gz FVJKMZQFXNCYAU-HTQZYQBOSA-N 1 0 321.240 2.429 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)c2ccc(F)c(Br)c2)C[NH2+]1 ZINC000638650534 405594431 /nfs/dbraw/zinc/59/44/31/405594431.db2.gz BFJXKXPDDQGLGZ-WCBMZHEXSA-N 1 0 315.186 2.459 10 0 DEAERO c1nc(N2CCCC2)ncc1CN1CCO[C@H](C2CCC2)C1 ZINC000582168975 405682889 /nfs/dbraw/zinc/68/28/89/405682889.db2.gz ZUWNYJBHUATYHX-INIZCTEOSA-N 1 0 302.422 2.078 10 0 DEAERO COc1nsc(C[NH2+]C(C)(C)[C@@H](C)O)c1Br ZINC000638818208 405691114 /nfs/dbraw/zinc/69/11/14/405691114.db2.gz MEWGAAOOKFIKLJ-ZCFIWIBFSA-N 1 0 309.229 2.163 10 0 DEAERO OCC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CCSCC1 ZINC000449684705 405691779 /nfs/dbraw/zinc/69/17/79/405691779.db2.gz LYYNIPSYQYPXDC-UHFFFAOYSA-N 1 0 307.419 2.360 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)cc1 ZINC000636094680 405735367 /nfs/dbraw/zinc/73/53/67/405735367.db2.gz WNZKLZJJOXVASX-HOTGVXAUSA-N 1 0 317.433 2.128 10 0 DEAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000638888132 405741816 /nfs/dbraw/zinc/74/18/16/405741816.db2.gz MWRPIZRNCCYRKE-CMPLNLGQSA-N 1 0 311.223 2.424 10 0 DEAERO C[C@H]1CN(C(=O)Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000638888325 405741947 /nfs/dbraw/zinc/74/19/47/405741947.db2.gz XOZBXHDKLWCYMH-CMPLNLGQSA-N 1 0 311.223 2.045 10 0 DEAERO C[C@H]1CN(C(=O)c2csc(Br)c2)C[C@@H]1C[NH3+] ZINC000638894243 405746545 /nfs/dbraw/zinc/74/65/45/405746545.db2.gz UYZGKOXLFRHBDU-CBAPKCEASA-N 1 0 303.225 2.177 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)CC2 ZINC000530422197 405799787 /nfs/dbraw/zinc/79/97/87/405799787.db2.gz RRSDEGRNKUVTGI-CJNGLKHVSA-N 1 0 318.465 2.094 10 0 DEAERO C[C@H](CC1CCC1)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638994801 405808077 /nfs/dbraw/zinc/80/80/77/405808077.db2.gz OXYUMNWHIBQMRB-PBHICJAKSA-N 1 0 303.450 2.141 10 0 DEAERO c1ccc2c(c1)CC[C@H](C[NH2+]CC1(N3CCOCC3)CC1)C2 ZINC000639108566 405887646 /nfs/dbraw/zinc/88/76/46/405887646.db2.gz ZADRXGWDWNGNLZ-INIZCTEOSA-N 1 0 300.446 2.246 10 0 DEAERO CCn1nncc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000459416345 405894986 /nfs/dbraw/zinc/89/49/86/405894986.db2.gz XGURSVTVEQOMIF-QAPCUYQASA-N 1 0 313.449 2.298 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000457557497 405895686 /nfs/dbraw/zinc/89/56/86/405895686.db2.gz FNFBQORZGPSABG-AWEZNQCLSA-N 1 0 318.417 2.195 10 0 DEAERO Cc1nccc(N2CC[NH+](CC3Cc4ccccc4C3)CC2)n1 ZINC000584208688 405846644 /nfs/dbraw/zinc/84/66/44/405846644.db2.gz FTOWKVFQLHJFAS-UHFFFAOYSA-N 1 0 308.429 2.322 10 0 DEAERO c1cc(C[NH+]2CCC(Cn3cncn3)CC2)n(CC2CCC2)n1 ZINC000639071574 405862642 /nfs/dbraw/zinc/86/26/42/405862642.db2.gz MQQXYUIPZWOLCP-UHFFFAOYSA-N 1 0 314.437 2.187 10 0 DEAERO c1cc(OCCN2CCOCC2)ccc1C[NH+]1CC(C2CC2)C1 ZINC000639194981 405962403 /nfs/dbraw/zinc/96/24/03/405962403.db2.gz AQWDGJXDQQJTRH-UHFFFAOYSA-N 1 0 316.445 2.239 10 0 DEAERO c1cnn(C2CC([NH2+]C3CCN(c4nccs4)CC3)C2)c1 ZINC000639134120 405912942 /nfs/dbraw/zinc/91/29/42/405912942.db2.gz DZFFXHZIHJNUPY-UHFFFAOYSA-N 1 0 303.435 2.302 10 0 DEAERO c1ccc(N2CC[C@@H](C[N@@H+]3CC[C@@H](Nc4ncccn4)C3)C2)cc1 ZINC000639282089 406019718 /nfs/dbraw/zinc/01/97/18/406019718.db2.gz NDOBAGSYPDDHTE-DLBZAZTESA-N 1 0 323.444 2.489 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCOCC2CCC2)C1 ZINC000562282710 405974539 /nfs/dbraw/zinc/97/45/39/405974539.db2.gz HEJOTPBVSJMZBC-MRXNPFEDSA-N 1 0 311.470 2.176 10 0 DEAERO C[C@@H]1CC(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C[C@@H](C)C1 ZINC000639309240 406036065 /nfs/dbraw/zinc/03/60/65/406036065.db2.gz RDZDMSJDKIPJLV-QWRGUYRKSA-N 1 0 300.424 2.089 10 0 DEAERO COc1nsc(CNC(C)(C)C[NH+](C)C)c1Br ZINC000639246373 406002207 /nfs/dbraw/zinc/00/22/07/406002207.db2.gz FPGMFTMKMLNIKC-UHFFFAOYSA-N 1 0 322.272 2.344 10 0 DEAERO C(c1nc(C2CCC2)no1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000639450362 406093530 /nfs/dbraw/zinc/09/35/30/406093530.db2.gz KXDSJCMKAHXFKI-HNNXBMFYSA-N 1 0 320.437 2.024 10 0 DEAERO c1nc2n(n1)[C@@H](CN1CCC[N@H+](CC3CCCCC3)CC1)CC2 ZINC000639457377 406097416 /nfs/dbraw/zinc/09/74/16/406097416.db2.gz DPKPKQXGYQUUAJ-QGZVFWFLSA-N 1 0 317.481 2.353 10 0 DEAERO Cc1c(Cl)c(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)nn1C ZINC000515414898 406068137 /nfs/dbraw/zinc/06/81/37/406068137.db2.gz XCEGMQRBVDEJGH-UHFFFAOYSA-N 1 0 322.771 2.419 10 0 DEAERO CO[C@@H](C)[C@@H](C)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460669489 406079792 /nfs/dbraw/zinc/07/97/92/406079792.db2.gz FUNAYOQMIFLLKA-HLLBOEOZSA-N 1 0 319.449 2.231 10 0 DEAERO CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000639479458 406107663 /nfs/dbraw/zinc/10/76/63/406107663.db2.gz KTACLTHVJXDFIZ-QGZVFWFLSA-N 1 0 315.417 2.232 10 0 DEAERO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)C1CCOCC1 ZINC000534344711 406185234 /nfs/dbraw/zinc/18/52/34/406185234.db2.gz HTCUENCWRZNEAG-UHFFFAOYSA-N 1 0 323.437 2.062 10 0 DEAERO Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c(C)c1 ZINC000568160816 406199450 /nfs/dbraw/zinc/19/94/50/406199450.db2.gz SOHSLSNPXMAYFD-KSSFIOAISA-N 1 0 315.417 2.347 10 0 DEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(I)cn1 ZINC000519601482 406218877 /nfs/dbraw/zinc/21/88/77/406218877.db2.gz CMXYJIBDSPRELR-HTQZYQBOSA-N 1 0 305.163 2.224 10 0 DEAERO CC[C@@H]([NH2+]Cc1c(Br)cnn1C)[C@@H]1CCCO1 ZINC000487557901 406245905 /nfs/dbraw/zinc/24/59/05/406245905.db2.gz KUZKXTLRHUGFRE-PWSUYJOCSA-N 1 0 302.216 2.230 10 0 DEAERO Cc1cc(C[C@@H](C)NC(=O)NCC2([NH+](C)C)CCCCC2)[nH]n1 ZINC000487546799 406243829 /nfs/dbraw/zinc/24/38/29/406243829.db2.gz ZKOAOAXJBACIOK-CYBMUJFWSA-N 1 0 321.469 2.213 10 0 DEAERO CCc1nc(CN(C)C(=O)NCC[N@H+]2CC=C(C)CC2)cs1 ZINC000545859912 406329703 /nfs/dbraw/zinc/32/97/03/406329703.db2.gz NIHFNLKJNROCIX-UHFFFAOYSA-N 1 0 322.478 2.499 10 0 DEAERO CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C)c1ccc(F)cc1 ZINC000488797550 406349323 /nfs/dbraw/zinc/34/93/23/406349323.db2.gz HZHCUAUZCQYXQF-YEWWUXTCSA-N 1 0 322.424 2.342 10 0 DEAERO CSc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](CO)[C@@H]2C)cc1 ZINC000488809413 406351270 /nfs/dbraw/zinc/35/12/70/406351270.db2.gz TXDLRVKXTWEVHW-DZGCQCFKSA-N 1 0 322.474 2.070 10 0 DEAERO Cc1ccc(F)c(C[N@H+](C)C[C@@H](O)COC[C@@H]2CCCO2)c1 ZINC000520715506 406310413 /nfs/dbraw/zinc/31/04/13/406310413.db2.gz GDAAQRJZPYZRSW-CVEARBPZSA-N 1 0 311.397 2.122 10 0 DEAERO c1cc(N2CCCCC2)ncc1-c1noc(CCC2C[NH2+]C2)n1 ZINC000637795163 406423118 /nfs/dbraw/zinc/42/31/18/406423118.db2.gz SBPRAYBOKADCOY-UHFFFAOYSA-N 1 0 313.405 2.274 10 0 DEAERO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634974729 406380754 /nfs/dbraw/zinc/38/07/54/406380754.db2.gz JEDWFAVZYVYSEC-NVXWUHKLSA-N 1 0 324.490 2.064 10 0 DEAERO C[C@@H](N(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000637930076 406482088 /nfs/dbraw/zinc/48/20/88/406482088.db2.gz SMPKFAVUQMMTBJ-GDBMZVCRSA-N 1 0 305.466 2.339 10 0 DEAERO C[C@@]1(C(=O)NCCc2ccc(Cl)cc2Cl)C[NH2+]CCO1 ZINC000637874423 406457250 /nfs/dbraw/zinc/45/72/50/406457250.db2.gz YIFUCQLGAALGLZ-AWEZNQCLSA-N 1 0 317.216 2.031 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637882243 406460700 /nfs/dbraw/zinc/46/07/00/406460700.db2.gz XFYQPSZYKWBJEP-CYBMUJFWSA-N 1 0 313.195 2.075 10 0 DEAERO C[C@@H]1CC[C@H](C)N(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638007428 406520392 /nfs/dbraw/zinc/52/03/92/406520392.db2.gz NJMNNTFUYLHKSB-VYDXJSESSA-N 1 0 303.450 2.093 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000527240136 406602158 /nfs/dbraw/zinc/60/21/58/406602158.db2.gz VPCDJCCIOANBJF-CQSZACIVSA-N 1 0 318.446 2.282 10 0 DEAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000552254109 406699009 /nfs/dbraw/zinc/69/90/09/406699009.db2.gz MHIKUCADSPTKAX-RYQLBKOJSA-N 1 0 323.408 2.172 10 0 DEAERO c1ccc(CN2CCC([NH2+]CC[C@H]3CCCOC3)CC2)nc1 ZINC000527736405 406732550 /nfs/dbraw/zinc/73/25/50/406732550.db2.gz FRMCYAXRHOHSRC-MRXNPFEDSA-N 1 0 303.450 2.452 10 0 DEAERO COCc1ncc(C)n1C1CCN(C(=O)c2ocnc2C)CC1 ZINC000575548350 406812257 /nfs/dbraw/zinc/81/22/57/406812257.db2.gz CRVZCIQUOQTGSA-UHFFFAOYSA-N 1 0 318.377 2.112 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000569758726 292439829 /nfs/dbraw/zinc/43/98/29/292439829.db2.gz XFDZXKLINYRKQQ-HNNXBMFYSA-N 1 0 311.470 2.461 10 0 DEAERO CC[C@]([NH3+])(c1ccc(F)cn1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000128807367 195993151 /nfs/dbraw/zinc/99/31/51/195993151.db2.gz RISCYSKVKGHCQD-OSAQELSMSA-N 1 0 314.426 2.388 10 0 DEAERO CCc1nn(CC)c(CN2CC[C@@H]([NH2+]C)C2)c1Br ZINC000129022942 196013294 /nfs/dbraw/zinc/01/32/94/196013294.db2.gz SYJUBJHSBJLKJN-SNVBAGLBSA-N 1 0 315.259 2.022 10 0 DEAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000129195739 196028640 /nfs/dbraw/zinc/02/86/40/196028640.db2.gz NQYIXKITPRXPAH-ZBFHGGJFSA-N 1 0 308.447 2.248 10 0 DEAERO NC1=[NH+]C[C@H]([C@@H]2CCCO2)N1c1cccc(Br)c1 ZINC000129272942 196034739 /nfs/dbraw/zinc/03/47/39/196034739.db2.gz ZGHBAHTUNRUPMM-NEPJUHHUSA-N 1 0 310.195 2.131 10 0 DEAERO CC(C)[NH2+]C[C@H]1CC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129311884 196038200 /nfs/dbraw/zinc/03/82/00/196038200.db2.gz SUJFUPFRQYOYIJ-RRFJBIMHSA-N 1 0 302.484 2.072 10 0 DEAERO CC[NH2+][C@@H](c1cnn(CC)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000129422363 196046541 /nfs/dbraw/zinc/04/65/41/196046541.db2.gz NEYSOYVKAIRCNY-OAHLLOKOSA-N 1 0 307.419 2.005 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(OCC(=O)OC)ccc1Br ZINC000129439273 196048314 /nfs/dbraw/zinc/04/83/14/196048314.db2.gz FXJMNZWCGUXLEZ-SNVBAGLBSA-N 1 0 316.195 2.281 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH3+])c(Cl)c2)CC[C@@H]1C ZINC000129715985 196070013 /nfs/dbraw/zinc/07/00/13/196070013.db2.gz HJIYSQGOTSGEQY-QWRGUYRKSA-N 1 0 316.854 2.465 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH3+])cc2Cl)CC[C@@H]1C ZINC000129714829 196070289 /nfs/dbraw/zinc/07/02/89/196070289.db2.gz WBWLBAHIUZXINY-QWRGUYRKSA-N 1 0 316.854 2.465 10 0 DEAERO C[NH2+]C[C@@H]1CCCCC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000130697970 196102874 /nfs/dbraw/zinc/10/28/74/196102874.db2.gz QEPFNZDVRAKTRC-JYJNAYRXSA-N 1 0 316.511 2.464 10 0 DEAERO O=C(NCCCCC(F)(F)F)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000130776966 196109588 /nfs/dbraw/zinc/10/95/88/196109588.db2.gz DCMXXVANZPUHTG-SECBINFHSA-N 1 0 306.250 2.377 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000131128901 196142171 /nfs/dbraw/zinc/14/21/71/196142171.db2.gz BYLLLAUHQTYJRK-GFCCVEGCSA-N 1 0 309.353 2.400 10 0 DEAERO C[C@@H](CNS(=O)(=O)c1cccc(C[NH3+])c1)c1ccccc1 ZINC000131162579 196145812 /nfs/dbraw/zinc/14/58/12/196145812.db2.gz NQNZXOXYTSIRDJ-ZDUSSCGKSA-N 1 0 304.415 2.227 10 0 DEAERO [NH3+]C/C=C/CNC(=O)c1cc2cccc(Br)c2o1 ZINC000131185399 196147560 /nfs/dbraw/zinc/14/75/60/196147560.db2.gz LBFHIHIBFMABHH-OWOJBTEDSA-N 1 0 309.163 2.440 10 0 DEAERO Cc1oc(C[NH3+])cc1S(=O)(=O)NCCCCC(F)(F)F ZINC000131242934 196153086 /nfs/dbraw/zinc/15/30/86/196153086.db2.gz MWFCELKKMBYQMJ-UHFFFAOYSA-N 1 0 314.329 2.058 10 0 DEAERO O[C@H](C[C@H]1COCC[NH2+]1)c1ccc(Br)cc1F ZINC000131403975 196166211 /nfs/dbraw/zinc/16/62/11/196166211.db2.gz CZVPFGZMDSQGTB-JOYOIKCWSA-N 1 0 304.159 2.000 10 0 DEAERO CCN1C(=[NH2+])NC[C@@]1(C)c1ccc(Br)cc1F ZINC000131356864 196162064 /nfs/dbraw/zinc/16/20/64/196162064.db2.gz HJJPOMRSZUZCDB-LBPRGKRZSA-N 1 0 300.175 2.454 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C[NH3+])c2)CC[C@@H]1C ZINC000131785845 196199000 /nfs/dbraw/zinc/19/90/00/196199000.db2.gz MHBJTZJMCPTSME-QWRGUYRKSA-N 1 0 316.854 2.465 10 0 DEAERO CCc1nn(C)c(CN2CC[C@H]([NH3+])C[C@@H]2C)c1Br ZINC000131911486 196210362 /nfs/dbraw/zinc/21/03/62/196210362.db2.gz HXKFXOKWYHQGFB-UWVGGRQHSA-N 1 0 315.259 2.057 10 0 DEAERO COC[C@H](C)[C@@H](C[NH3+])N(C)Cc1ccc(Br)cc1 ZINC000131957080 196213633 /nfs/dbraw/zinc/21/36/33/196213633.db2.gz PGNNVULTHCOPIU-SMDDNHRTSA-N 1 0 315.255 2.491 10 0 DEAERO C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@@H]1c1ccccc1 ZINC000132127031 196228191 /nfs/dbraw/zinc/22/81/91/196228191.db2.gz DHVZQEXMQKEUKB-VYDXJSESSA-N 1 0 322.474 2.351 10 0 DEAERO C[NH2+][C@H](C)c1ccc(OCC(=O)N[C@@H](C)COC)c(Cl)c1 ZINC000132334163 196247664 /nfs/dbraw/zinc/24/76/64/196247664.db2.gz VRYBFYKHGYAQOC-WDEREUQCSA-N 1 0 314.813 2.150 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(C(=O)NC(C)C)cc1 ZINC000132414387 196254362 /nfs/dbraw/zinc/25/43/62/196254362.db2.gz AOULJUWZFFXVTI-CQSZACIVSA-N 1 0 319.449 2.285 10 0 DEAERO NC(=O)c1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)nc1 ZINC000132451006 196256813 /nfs/dbraw/zinc/25/68/13/196256813.db2.gz IDWVQYDUYKJDOS-UHFFFAOYSA-N 1 0 324.384 2.029 10 0 DEAERO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)s1 ZINC000132520605 196262286 /nfs/dbraw/zinc/26/22/86/196262286.db2.gz IOIVAGUMLDKLBI-HTRCEHHLSA-N 1 0 309.357 2.478 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H](COCc2cc(Br)ccc2F)O1 ZINC000132595748 196269145 /nfs/dbraw/zinc/26/91/45/196269145.db2.gz WKEQBAVYNZEVMU-SKDRFNHKSA-N 1 0 318.186 2.482 10 0 DEAERO COCc1nc(N(C)Cc2ccccc2Cl)cc(NN)[nH+]1 ZINC000132774986 196282149 /nfs/dbraw/zinc/28/21/49/196282149.db2.gz OHQOGFXKBSOAKU-UHFFFAOYSA-N 1 0 307.785 2.198 10 0 DEAERO CCC[NH2+]C1(c2nc(C)cs2)CCN(C(=O)N(C)C)CC1 ZINC000132904274 196295115 /nfs/dbraw/zinc/29/51/15/196295115.db2.gz LJGREGQPAOXPLJ-UHFFFAOYSA-N 1 0 310.467 2.424 10 0 DEAERO COCc1nc(N(C)Cc2ccc(Cl)s2)cc(NN)[nH+]1 ZINC000132785667 196283050 /nfs/dbraw/zinc/28/30/50/196283050.db2.gz SQDDDUNAUBUHBQ-UHFFFAOYSA-N 1 0 313.814 2.260 10 0 DEAERO CCc1noc(CC)c1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000132964786 196300206 /nfs/dbraw/zinc/30/02/06/196300206.db2.gz BHZVSRVVEDHJQJ-QWHCGFSZSA-N 1 0 320.437 2.178 10 0 DEAERO COCc1cc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)ccc1OC ZINC000133006142 196304253 /nfs/dbraw/zinc/30/42/53/196304253.db2.gz BHMYRYKSUQLSKQ-SWLSCSKDSA-N 1 0 306.406 2.113 10 0 DEAERO CCS(=O)(=O)NCCC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000133011371 196304629 /nfs/dbraw/zinc/30/46/29/196304629.db2.gz CAUNVLVIGUAJMK-HNNXBMFYSA-N 1 0 312.479 2.187 10 0 DEAERO CC[S@@](=O)CCNc1c(C(N)=S)c[nH+]c2ccccc21 ZINC000133010780 196304847 /nfs/dbraw/zinc/30/48/47/196304847.db2.gz OVQKRLBYRDDHAP-FQEVSTJZSA-N 1 0 307.444 2.050 10 0 DEAERO O[C@H](Cc1cc(Br)ccc1F)C1CC[NH2+]CC1 ZINC000133018752 196305109 /nfs/dbraw/zinc/30/51/09/196305109.db2.gz AUXLQEUXRNNEED-CYBMUJFWSA-N 1 0 302.187 2.491 10 0 DEAERO O[C@H](Cc1cc(F)ccc1Br)C1CC[NH2+]CC1 ZINC000133030393 196306335 /nfs/dbraw/zinc/30/63/35/196306335.db2.gz SZUHPFGVYSZUHH-CYBMUJFWSA-N 1 0 302.187 2.491 10 0 DEAERO O[C@H](Cc1cc(Br)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000133076626 196309821 /nfs/dbraw/zinc/30/98/21/196309821.db2.gz GGKBZFHHOLLZLG-TVQRCGJNSA-N 1 0 302.187 2.491 10 0 DEAERO CC[C@H](C)c1nc(N(C)CCOC)sc1C[NH2+]CCOC ZINC000133138450 196315107 /nfs/dbraw/zinc/31/51/07/196315107.db2.gz KBNCKEZAVRHAGR-LBPRGKRZSA-N 1 0 315.483 2.475 10 0 DEAERO C[C@H]([NH3+])CCCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000133155959 196317102 /nfs/dbraw/zinc/31/71/02/196317102.db2.gz MALPNFBRCKGMOJ-VIFPVBQESA-N 1 0 320.361 2.139 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)c2cc(OC)ccc2O)CC1 ZINC000133279990 196326847 /nfs/dbraw/zinc/32/68/47/196326847.db2.gz UGDTWEAFHQYVAB-UHFFFAOYSA-N 1 0 306.406 2.253 10 0 DEAERO C[NH2+]C1(C)CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000133279625 196327268 /nfs/dbraw/zinc/32/72/68/196327268.db2.gz QLSHJUZIADLSSJ-ZDUSSCGKSA-N 1 0 310.463 2.225 10 0 DEAERO C[C@H](CCC[C@H](C)[NH3+])c1nn2c(nnc2[C@@H]2CCOC2)s1 ZINC000133810576 196337468 /nfs/dbraw/zinc/33/74/68/196337468.db2.gz INPCNGWRBAIPGA-OUAUKWLOSA-N 1 0 309.439 2.311 10 0 DEAERO C[NH2+][C@@H](CC[C@@H]1CCCO1)c1c(Cl)cnn1CCOC ZINC000133969763 196350728 /nfs/dbraw/zinc/35/07/28/196350728.db2.gz LVLFZXUYFUDPPY-AAEUAGOBSA-N 1 0 301.818 2.403 10 0 DEAERO Cc1cc(C)cc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)c1 ZINC000134009010 196353496 /nfs/dbraw/zinc/35/34/96/196353496.db2.gz CRXGXHNQZUDIOM-GDBMZVCRSA-N 1 0 310.463 2.489 10 0 DEAERO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cc(Br)ccc1N(C)C ZINC000134096938 196360912 /nfs/dbraw/zinc/36/09/12/196360912.db2.gz AOCUUPSSJDPQHN-RKDXNWHRSA-N 1 0 314.227 2.437 10 0 DEAERO CCNc1nc(Cl)nc(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000134104602 196361752 /nfs/dbraw/zinc/36/17/52/196361752.db2.gz CNMQEBWSEMSUFY-UHFFFAOYSA-N 1 0 310.833 2.021 10 0 DEAERO CC[NH+]1CCC(Nc2cnn(CC(C)C)c(=O)c2Cl)CC1 ZINC000134121957 196363799 /nfs/dbraw/zinc/36/37/99/196363799.db2.gz FBVHHAONXLOKGJ-UHFFFAOYSA-N 1 0 312.845 2.449 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1F)[C@@H](C)S(C)(=O)=O ZINC000134214162 196371187 /nfs/dbraw/zinc/37/11/87/196371187.db2.gz JUNGLHZLKAIRTN-NOZJJQNGSA-N 1 0 307.818 2.433 10 0 DEAERO COc1ccc(Br)cc1C[C@]1(O)CCC[N@H+](C)C1 ZINC000134345545 196380559 /nfs/dbraw/zinc/38/05/59/196380559.db2.gz PRDFMKWQCVJHKR-CQSZACIVSA-N 1 0 314.223 2.457 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000134594867 196404745 /nfs/dbraw/zinc/40/47/45/196404745.db2.gz IZIOFKIXHSPDAS-ZDUSSCGKSA-N 1 0 317.433 2.056 10 0 DEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000135312246 196463283 /nfs/dbraw/zinc/46/32/83/196463283.db2.gz DWASVMJKRVPFJA-KGLIPLIRSA-N 1 0 314.495 2.278 10 0 DEAERO CCSC[C@@H](C)[NH2+]C[C@@H](O)COCCc1scnc1C ZINC000135379294 196470380 /nfs/dbraw/zinc/47/03/80/196470380.db2.gz QPKPZIGJQQYBNR-DGCLKSJQSA-N 1 0 318.508 2.103 10 0 DEAERO CCNS(=O)(=O)c1ccc(O[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000136357410 196533969 /nfs/dbraw/zinc/53/39/69/196533969.db2.gz DAIIHCJAXXUAAB-GJZGRUSLSA-N 1 0 312.435 2.024 10 0 DEAERO [NH3+][C@@H](Cc1c(F)cccc1Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000136716218 196549415 /nfs/dbraw/zinc/54/94/15/196549415.db2.gz GLXWZQFDCAJLNL-NXEZZACHSA-N 1 0 305.802 2.174 10 0 DEAERO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000190946744 225099172 /nfs/dbraw/zinc/09/91/72/225099172.db2.gz GUWPXZPCOFEEQC-CQSZACIVSA-N 1 0 302.340 2.434 10 0 DEAERO C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261659278 296968303 /nfs/dbraw/zinc/96/83/03/296968303.db2.gz FBLIMHUWYCKTEX-IIAWOOMASA-N 1 0 301.434 2.229 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](n2ccc(N)n2)CC1 ZINC000616629720 422516811 /nfs/dbraw/zinc/51/68/11/422516811.db2.gz ZSEWPUIBWQTGDJ-CYBMUJFWSA-N 1 0 323.441 2.017 10 0 DEAERO CC1(C)C[N@H+](C[C@H](O)CCc2ccccc2)C[C@]2(CCOC2)O1 ZINC000361528222 424845467 /nfs/dbraw/zinc/84/54/67/424845467.db2.gz VKTPGIFCQMORPF-MJGOQNOKSA-N 1 0 319.445 2.250 10 0 DEAERO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886193 424849645 /nfs/dbraw/zinc/84/96/45/424849645.db2.gz PWBNEHXTLKHYDU-DOTOQJQBSA-N 1 0 318.465 2.290 10 0 DEAERO C[NH+](C)C1CCN(CCC(=O)N2CCc3sccc3C2)CC1 ZINC000193413310 424868281 /nfs/dbraw/zinc/86/82/81/424868281.db2.gz FFNVBRVWQGAAMW-UHFFFAOYSA-N 1 0 321.490 2.049 10 0 DEAERO C[C@H]1CCc2ccccc2N1C(=O)CN1CCC([NH+](C)C)CC1 ZINC000193805632 424871385 /nfs/dbraw/zinc/87/13/85/424871385.db2.gz LEKCPFKSTSPXIH-HNNXBMFYSA-N 1 0 315.461 2.380 10 0 DEAERO C[C@@H]1CCc2ccccc2N1C(=O)CN1CCC([NH+](C)C)CC1 ZINC000193805617 424871393 /nfs/dbraw/zinc/87/13/93/424871393.db2.gz LEKCPFKSTSPXIH-OAHLLOKOSA-N 1 0 315.461 2.380 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000125228760 424855257 /nfs/dbraw/zinc/85/52/57/424855257.db2.gz SUMMCJMPRCJDRU-MNOVXSKESA-N 1 0 302.827 2.197 10 0 DEAERO c1ccc(-c2noc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)nc1 ZINC000391115441 424918692 /nfs/dbraw/zinc/91/86/92/424918692.db2.gz GZVMVTXWWFARDE-KGLIPLIRSA-N 1 0 313.405 2.096 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1nscc1Br ZINC000404791293 424928720 /nfs/dbraw/zinc/92/87/20/424928720.db2.gz RIMQDHMYQGLZFG-CBAPKCEASA-N 1 0 318.240 2.248 10 0 DEAERO CC(C)[C@](C)(C[NH3+])NC(=O)c1nscc1Br ZINC000404827284 424930073 /nfs/dbraw/zinc/93/00/73/424930073.db2.gz WAHGTRVZOLGVDS-JTQLQIEISA-N 1 0 306.229 2.009 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1nscc1Br ZINC000405019327 424930447 /nfs/dbraw/zinc/93/04/47/424930447.db2.gz LYTDHUNJQKLUPN-QMMMGPOBSA-N 1 0 320.256 2.366 10 0 DEAERO C[N@H+]1CC=C(CNC(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000572462730 424934911 /nfs/dbraw/zinc/93/49/11/424934911.db2.gz SIYVLNYJOBOBFO-UHFFFAOYSA-N 1 0 318.421 2.890 10 0 DEAERO CC[C@H]1CN(Cc2ccc(C)c(OC)c2)CC[N@@H+]1C[C@H](C)O ZINC000248998758 424886776 /nfs/dbraw/zinc/88/67/76/424886776.db2.gz PUPBXGWBNMQRMM-RDJZCZTQSA-N 1 0 306.450 2.281 10 0 DEAERO C(C[NH+]1CCCCCC1)Nc1nnc(C2CCOCC2)s1 ZINC000558890333 424887190 /nfs/dbraw/zinc/88/71/90/424887190.db2.gz UHIZIZYVCSIGGL-UHFFFAOYSA-N 1 0 310.467 2.720 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(-c3ccccc3)on2)C1 ZINC000443904474 425046396 /nfs/dbraw/zinc/04/63/96/425046396.db2.gz GAORSDHJAQUXBV-ZDUSSCGKSA-N 1 0 314.389 2.805 10 0 DEAERO Cc1cncc(C[NH2+]C[C@@H]2CCCO[C@H]2c2nccn2C)c1 ZINC000657418111 425329655 /nfs/dbraw/zinc/32/96/55/425329655.db2.gz JMQQEUJOBTZSOS-JKSUJKDBSA-N 1 0 300.406 2.381 10 0 DEAERO Cc1noc(C)c1CC[NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C ZINC000657354451 425314230 /nfs/dbraw/zinc/31/42/30/425314230.db2.gz URXDETLZYQXNDT-GOEBONIOSA-N 1 0 318.421 2.325 10 0 DEAERO CCCn1nccc1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088349400 267398848 /nfs/dbraw/zinc/39/88/48/267398848.db2.gz GSQJKGORPBREQA-UHFFFAOYSA-N 1 0 319.409 2.482 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000191482553 267723842 /nfs/dbraw/zinc/72/38/42/267723842.db2.gz UCTXDXCMCGFWLM-UHFFFAOYSA-N 1 0 320.437 2.475 10 0 DEAERO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ccnc3cc(F)cnc32)CC1 ZINC000333889764 269000504 /nfs/dbraw/zinc/00/05/04/269000504.db2.gz WUFADJBGCFIWSV-DYVFJYSZSA-N 1 0 316.380 2.102 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)c(F)c2)C1 ZINC000390009080 269097343 /nfs/dbraw/zinc/09/73/43/269097343.db2.gz SFBCSGLDJKNIOI-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)c2coc(Br)c2)CC[N@@H+]1C ZINC000393539871 269099868 /nfs/dbraw/zinc/09/98/68/269099868.db2.gz XJYQPCSLSRDAMQ-SCZZXKLOSA-N 1 0 301.184 2.255 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2coc(Br)c2)CC[N@@H+]1C ZINC000393539870 269099945 /nfs/dbraw/zinc/09/99/45/269099945.db2.gz XJYQPCSLSRDAMQ-PSASIEDQSA-N 1 0 301.184 2.255 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000396727984 269104422 /nfs/dbraw/zinc/10/44/22/269104422.db2.gz NJNWKHUHSKJMGB-SECBINFHSA-N 1 0 301.184 2.127 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397304636 269105603 /nfs/dbraw/zinc/10/56/03/269105603.db2.gz GFKASXNMJQTFGR-BQFCYCMXSA-N 1 0 317.477 2.340 10 0 DEAERO OC1(CNc2ncc(F)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000397596396 269107010 /nfs/dbraw/zinc/10/70/10/269107010.db2.gz QCKJQFSZRVOMNO-UHFFFAOYSA-N 1 0 316.380 2.055 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000430233214 269127041 /nfs/dbraw/zinc/12/70/41/269127041.db2.gz KESQSMTUZVQUBS-SJORKVTESA-N 1 0 312.417 2.185 10 0 DEAERO C[C@@H]([NH2+]CCC1CC(O)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497228628 269295096 /nfs/dbraw/zinc/29/50/96/269295096.db2.gz ANZURFVDMSGBQW-JLVJUDLZSA-N 1 0 312.454 2.383 10 0 DEAERO CCCCCNC(=O)C1CC[NH+](Cc2ccnc(C)n2)CC1 ZINC000507217057 269315692 /nfs/dbraw/zinc/31/56/92/269315692.db2.gz VSVFXOTVJDZHDF-UHFFFAOYSA-N 1 0 304.438 2.303 10 0 DEAERO CC[C@@]1(C(=O)NC2CCN(c3cccs3)CC2)CCC[NH2+]1 ZINC000134616214 273738855 /nfs/dbraw/zinc/73/88/55/273738855.db2.gz XIVQGUQFZOOSAG-INIZCTEOSA-N 1 0 307.463 2.365 10 0 DEAERO COC(C[N@H+](CCCO)Cc1ccc2ccccc2n1)OC ZINC000183659095 274012629 /nfs/dbraw/zinc/01/26/29/274012629.db2.gz APDWFAPUQJZICR-UHFFFAOYSA-N 1 0 304.390 2.038 10 0 DEAERO COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000090226387 274043331 /nfs/dbraw/zinc/04/33/31/274043331.db2.gz GRIVLHZKXZPKQR-HZPDHXFCSA-N 1 0 300.406 2.269 10 0 DEAERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1nc2ccccc2n1C ZINC000091265505 274246654 /nfs/dbraw/zinc/24/66/54/274246654.db2.gz CTDWJKDRAGGRHR-CYBMUJFWSA-N 1 0 300.406 2.236 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000229382567 274700178 /nfs/dbraw/zinc/70/01/78/274700178.db2.gz QYRFZXOZGNLPRG-ZDUSSCGKSA-N 1 0 314.426 2.192 10 0 DEAERO CC(C)c1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nn1C ZINC000174338360 276045501 /nfs/dbraw/zinc/04/55/01/276045501.db2.gz QEEIASQTNCWGPK-AGUYFDCRSA-N 1 0 304.438 2.289 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000048134748 276117231 /nfs/dbraw/zinc/11/72/31/276117231.db2.gz XZNNRZKZZOTVDJ-CYBMUJFWSA-N 1 0 316.409 2.119 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)C1 ZINC000188182876 276167054 /nfs/dbraw/zinc/16/70/54/276167054.db2.gz UWOXQGUCVMLASE-DOMZBBRYSA-N 1 0 321.396 2.433 10 0 DEAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000249614580 276168031 /nfs/dbraw/zinc/16/80/31/276168031.db2.gz PULRBHDLZPJKTQ-UKRRQHHQSA-N 1 0 301.438 2.481 10 0 DEAERO CCC[C@@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC000178645942 276268636 /nfs/dbraw/zinc/26/86/36/276268636.db2.gz CQGPQALZTATGCC-JKSUJKDBSA-N 1 0 308.397 2.456 10 0 DEAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC23CCC3)[C@H](C)C1 ZINC000435572260 276314891 /nfs/dbraw/zinc/31/48/91/276314891.db2.gz DEHSPNKCKIAUCJ-HZPDHXFCSA-N 1 0 323.481 2.461 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)C1(C)C ZINC000246776735 276347377 /nfs/dbraw/zinc/34/73/77/276347377.db2.gz BWLGPRYSSQOEIE-RRFJBIMHSA-N 1 0 304.438 2.239 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123669050 276363218 /nfs/dbraw/zinc/36/32/18/276363218.db2.gz ZQTNMAYOCBRKDM-JFIYKMOQSA-N 1 0 323.481 2.197 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000353914823 276994348 /nfs/dbraw/zinc/99/43/48/276994348.db2.gz LJGJZBGLXUHEBB-HZPDHXFCSA-N 1 0 309.498 2.345 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@]23CCCc2ccccc23)n1 ZINC000263228128 277116631 /nfs/dbraw/zinc/11/66/31/277116631.db2.gz NCCNIDAIPYIBES-MDZRGWNJSA-N 1 0 324.428 2.407 10 0 DEAERO C[N@@H+]1CCO[C@@H]2CCN(c3ncnc4c5ccccc5oc43)C[C@@H]21 ZINC000285173562 277121791 /nfs/dbraw/zinc/12/17/91/277121791.db2.gz VBUZLRUSNBKOOE-DZGCQCFKSA-N 1 0 324.384 2.285 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@@H]1c1ccccc1 ZINC000180107587 277168146 /nfs/dbraw/zinc/16/81/46/277168146.db2.gz AUVAELWREBMFRB-RYRKJORJSA-N 1 0 324.428 2.007 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248468767 277295620 /nfs/dbraw/zinc/29/56/20/277295620.db2.gz UHZRLEBYNJTFHS-KFWWJZLASA-N 1 0 313.438 2.377 10 0 DEAERO COc1nc(N[C@H](C[NH3+])CC(C)C)ncc1Br ZINC000234931195 277483751 /nfs/dbraw/zinc/48/37/51/277483751.db2.gz ALQYJJUMGTUCGF-QMMMGPOBSA-N 1 0 303.204 2.033 10 0 DEAERO COCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261999799 277613018 /nfs/dbraw/zinc/61/30/18/277613018.db2.gz UKDWXEBKEZZNJY-KURKYZTESA-N 1 0 304.434 2.080 10 0 DEAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000262590013 277906815 /nfs/dbraw/zinc/90/68/15/277906815.db2.gz CTLQRIPKSSWYMI-UKRRQHHQSA-N 1 0 310.825 2.475 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]C2CCN(C)CC2)c2ccc(F)cc2C1 ZINC000184533937 278055332 /nfs/dbraw/zinc/05/53/32/278055332.db2.gz WCHGWAAAKWSOKE-SFHVURJKSA-N 1 0 319.424 2.303 10 0 DEAERO COc1ccccc1[C@H](CNC1=[NH+]CCCN1)N1CCCCC1 ZINC000261721916 278062023 /nfs/dbraw/zinc/06/20/23/278062023.db2.gz FXHOMEGGYDIPBY-INIZCTEOSA-N 1 0 316.449 2.161 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCc3ccccc3C2)C1 ZINC000176333571 278110181 /nfs/dbraw/zinc/11/01/81/278110181.db2.gz OAVBFEVNMLKAJX-OAHLLOKOSA-N 1 0 322.474 2.106 10 0 DEAERO CSC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179169339 278136990 /nfs/dbraw/zinc/13/69/90/278136990.db2.gz AVJREGNFIHESFG-AEGPPILISA-N 1 0 307.463 2.483 10 0 DEAERO C[C@H](C(=O)N1CCC[C@@H]1c1cnn(C)c1)[NH+]1CCCCCC1 ZINC000176000477 278139627 /nfs/dbraw/zinc/13/96/27/278139627.db2.gz KHKXUTSPUROVSJ-GDBMZVCRSA-N 1 0 304.438 2.348 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000249503340 278332627 /nfs/dbraw/zinc/33/26/27/278332627.db2.gz 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CC[N@@H+]1CCC[C@@H]1CN(C)Cn1nc(C2CC2)n(C)c1=S ZINC000177161385 625864401 /nfs/dbraw/zinc/86/44/01/625864401.db2.gz AUEUGIVIDOSJMW-CYBMUJFWSA-N 1 0 309.483 2.202 10 0 DEAERO NC(=O)c1ccc(Cl)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195347251 633124692 /nfs/dbraw/zinc/12/46/92/633124692.db2.gz PIFPFLUQFCQXRM-UHFFFAOYSA-N 1 0 321.808 2.252 10 0 DEAERO C[NH+](C)CCn1cc(NCc2occc2Br)cn1 ZINC000735323202 633502620 /nfs/dbraw/zinc/50/26/20/633502620.db2.gz TZTBZBBOEDDTDD-UHFFFAOYSA-N 1 0 313.199 2.412 10 0 DEAERO CCCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000182031312 635447269 /nfs/dbraw/zinc/44/72/69/635447269.db2.gz JZLJCECPMHLUQD-LLVKDONJSA-N 1 0 303.399 2.310 10 0 DEAERO Cc1nc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c(C)s1 ZINC000178748342 636223623 /nfs/dbraw/zinc/22/36/23/636223623.db2.gz AWGFNUOPSAJXGC-ZDUSSCGKSA-N 1 0 312.435 2.274 10 0 DEAERO Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000222546335 636360273 /nfs/dbraw/zinc/36/02/73/636360273.db2.gz VTBLIBHOJAYWRA-RHSMWYFYSA-N 1 0 302.418 2.281 10 0 DEAERO COc1ccccc1C/C(C)=C/C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186822012 636571027 /nfs/dbraw/zinc/57/10/27/636571027.db2.gz HJAZCEGDSWKRCQ-VDAYMNBPSA-N 1 0 302.418 2.298 10 0 DEAERO COC(=O)/C(C)=C\CN1CC[NH+](CCc2cccs2)CC1 ZINC000748814291 637312297 /nfs/dbraw/zinc/31/22/97/637312297.db2.gz YNGBFTWAFSMFDM-RZNTYIFUSA-N 1 0 308.447 2.028 10 0 DEAERO CC[N@H+](C[C@H]1CCOC1)Cn1ncc2cc(C(=O)OC)ccc21 ZINC000738080522 637969183 /nfs/dbraw/zinc/96/91/83/637969183.db2.gz GHAJFSOHFNVRES-CYBMUJFWSA-N 1 0 317.389 2.139 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)nc(N(C)C)c2)CC[N@@H+]1C ZINC000741722712 638005773 /nfs/dbraw/zinc/00/57/73/638005773.db2.gz QXORUSXAIZKXIV-JQWIXIFHSA-N 1 0 310.829 2.014 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ncccn2)[C@H]1c1cccs1 ZINC000743568495 638157805 /nfs/dbraw/zinc/15/78/05/638157805.db2.gz WCCPCFFUMSEPNS-JSGCOSHPSA-N 1 0 316.430 2.351 10 0 DEAERO C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747556848 638450129 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COc1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)c(OC)c1 ZINC000757183820 645937670 /nfs/dbraw/zinc/93/76/70/645937670.db2.gz HKWSXIVOHLSSKU-KGLIPLIRSA-N 1 0 307.390 2.349 10 0 DEAERO O=C(NCC1(C[NH+]2CCCCC2)CC1)c1ccc2c(c1)OCO2 ZINC000223564402 646499523 /nfs/dbraw/zinc/49/95/23/646499523.db2.gz PBJNMNNYZYFVNS-UHFFFAOYSA-N 1 0 316.401 2.411 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000167075989 646546554 /nfs/dbraw/zinc/54/65/54/646546554.db2.gz JALFHORQDGPGNQ-NRUUGDAUSA-N 1 0 302.212 2.089 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)OC[C@H]3CCCO3)cc2)CC1 ZINC000157889741 646574758 /nfs/dbraw/zinc/57/47/58/646574758.db2.gz PXFIPDGNRKCNKU-QGZVFWFLSA-N 1 0 318.417 2.164 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000046859345 646598008 /nfs/dbraw/zinc/59/80/08/646598008.db2.gz GVKJHAQVKAAMGJ-IZPAUZPXSA-N 1 0 316.401 2.419 10 0 DEAERO CCn1cncc1C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000227614544 646604324 /nfs/dbraw/zinc/60/43/24/646604324.db2.gz YZPLMSXOZKTSIC-ZDUSSCGKSA-N 1 0 308.426 2.250 10 0 DEAERO [NH3+][C@@H]1CC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000227644262 646604389 /nfs/dbraw/zinc/60/43/89/646604389.db2.gz WCXQKSWUUDFPEY-VHSXEESVSA-N 1 0 304.362 2.222 10 0 DEAERO Cc1noc(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000229090093 646666572 /nfs/dbraw/zinc/66/65/72/646666572.db2.gz DPIMSPOWRCKNRT-RYUDHWBXSA-N 1 0 310.398 2.161 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CSCCS1)c1cc(F)ccc1F ZINC000229602303 646693671 /nfs/dbraw/zinc/69/36/71/646693671.db2.gz MHTJJVRXMODMQE-GXFFZTMASA-N 1 0 305.415 2.436 10 0 DEAERO Clc1cc(CN2CCCC[C@@H]2CN2CCOCC2)ccn1 ZINC000171942450 646717550 /nfs/dbraw/zinc/71/75/50/646717550.db2.gz KACJFMCQURQIQY-OAHLLOKOSA-N 1 0 309.841 2.422 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cncnc1 ZINC000230685006 646743472 /nfs/dbraw/zinc/74/34/72/646743472.db2.gz YRNZBJSKKLHIMN-KGLIPLIRSA-N 1 0 306.410 2.260 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172806217 646752108 /nfs/dbraw/zinc/75/21/08/646752108.db2.gz WBKHPNKEKBLQBP-BZUAXINKSA-N 1 0 323.481 2.412 10 0 DEAERO CCOCc1nc(Cl)cc(NCC[NH+]2CCSCC2)n1 ZINC000230945876 646752582 /nfs/dbraw/zinc/75/25/82/646752582.db2.gz UCFUGLRRVWGAMI-UHFFFAOYSA-N 1 0 316.858 2.127 10 0 DEAERO COCC[N@H+](C)CCNC(=O)c1ccc(-c2ccccc2)n1C ZINC000173439277 646769238 /nfs/dbraw/zinc/76/92/38/646769238.db2.gz ATQJAIVWYRFYHK-UHFFFAOYSA-N 1 0 315.417 2.000 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)CC[C@H]2CC[C@H](C)O2)C1 ZINC000174281874 646800676 /nfs/dbraw/zinc/80/06/76/646800676.db2.gz CYFLUFPXPIPGBH-XHSDSOJGSA-N 1 0 313.438 2.234 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)CCC2CCOCC2)C1 ZINC000174282270 646801600 /nfs/dbraw/zinc/80/16/00/646801600.db2.gz ULFGAMUTBHNQHJ-MRXNPFEDSA-N 1 0 313.438 2.093 10 0 DEAERO COC(=O)C[C@@H](C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000151558706 646932430 /nfs/dbraw/zinc/93/24/30/646932430.db2.gz PURFPBDKMOZUHK-HIFRSBDPSA-N 1 0 305.374 2.003 10 0 DEAERO CN(Cc1cccs1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000228894714 647407227 /nfs/dbraw/zinc/40/72/27/647407227.db2.gz GDJCQJFTQWDONG-HEHGZKQESA-N 1 0 308.447 2.239 10 0 DEAERO CN(C)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(Cl)n1 ZINC000733096158 647865009 /nfs/dbraw/zinc/86/50/09/647865009.db2.gz SDDZLDOTKUJELK-STQMWFEESA-N 1 0 322.840 2.158 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000238002737 648464147 /nfs/dbraw/zinc/46/41/47/648464147.db2.gz GWPDRWKAGVVSHM-FZMZJTMJSA-N 1 0 302.353 2.073 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nc(C(F)F)n(C)c1=S ZINC000181374622 648634589 /nfs/dbraw/zinc/63/45/89/648634589.db2.gz MYRPVCPRLRSOSL-VHSXEESVSA-N 1 0 317.409 2.015 10 0 DEAERO C[NH2+]C[C@H]1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000071144894 649057428 /nfs/dbraw/zinc/05/74/28/649057428.db2.gz RSNOPHRAQJUQLT-BUUCAEBMSA-N 1 0 314.838 2.182 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CCC2(C)OCCO2)cc1NC(C)=O ZINC000183888305 649193284 /nfs/dbraw/zinc/19/32/84/649193284.db2.gz ZDOUJMOTWREMFA-GFCCVEGCSA-N 1 0 322.405 2.457 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC000073185472 649654705 /nfs/dbraw/zinc/65/47/05/649654705.db2.gz AHJGHBPENCWQBF-NVXWUHKLSA-N 1 0 321.417 2.354 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C(/C)c1cccc(F)c1 ZINC000110716558 652425488 /nfs/dbraw/zinc/42/54/88/652425488.db2.gz ISRGIGRWUFKNHF-IFCKCIONSA-N 1 0 320.408 2.456 10 0 DEAERO Cc1nc(CC[NH2+]Cc2nc(Br)c[nH]2)cs1 ZINC000381087051 685400414 /nfs/dbraw/zinc/40/04/14/685400414.db2.gz TYDNVGJLMODIHH-UHFFFAOYSA-N 1 0 301.213 2.269 10 0 DEAERO C[C@H](CCCO)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000384367243 685411134 /nfs/dbraw/zinc/41/11/34/685411134.db2.gz IYPYWILTPWBHCP-ZIAGYGMSSA-N 1 0 300.443 2.384 10 0 DEAERO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)C)ccc1F ZINC000383589571 685408629 /nfs/dbraw/zinc/40/86/29/685408629.db2.gz CIUYDYKRVPWJED-LLVKDONJSA-N 1 0 303.399 2.308 10 0 DEAERO c1ccc2c(c1)OC[C@H](CN1CCC[C@H]([C@H]3CCC[NH2+]3)C1)O2 ZINC000386910550 685419720 /nfs/dbraw/zinc/41/97/20/685419720.db2.gz KEAYNOKUMVGVQU-HRCADAONSA-N 1 0 302.418 2.290 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cn(C)cn1 ZINC000389805959 685435772 /nfs/dbraw/zinc/43/57/72/685435772.db2.gz BMMFJJJOGFXARF-TZMCWYRMSA-N 1 0 308.426 2.155 10 0 DEAERO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389971817 685437146 /nfs/dbraw/zinc/43/71/46/685437146.db2.gz VRIIAVIPWPGFIR-HOCLYGCPSA-N 1 0 312.417 2.078 10 0 DEAERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CC1CCC(O)CC1 ZINC000390770192 685443019 /nfs/dbraw/zinc/44/30/19/685443019.db2.gz KVTFVBWZVGLIEY-UHFFFAOYSA-N 1 0 300.443 2.430 10 0 DEAERO COC(C[NH2+][C@@H]1CCOc2ccc(Br)cc21)OC ZINC000037566839 683883928 /nfs/dbraw/zinc/88/39/28/683883928.db2.gz CBOWYCAJLAPUKR-LLVKDONJSA-N 1 0 316.195 2.481 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CN1CCOC1=S ZINC000077164964 683949977 /nfs/dbraw/zinc/94/99/77/683949977.db2.gz QBDPETPHUQDFSS-OAHLLOKOSA-N 1 0 319.474 2.157 10 0 DEAERO Cc1noc(C)c1[C@H](C)C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000119290074 684079272 /nfs/dbraw/zinc/07/92/72/684079272.db2.gz QLDZXPPQIULDRB-WFASDCNBSA-N 1 0 324.421 2.295 10 0 DEAERO O[C@H]1C[NH2+][C@@H](c2nc(Cc3ccc(Cl)c(Cl)c3)no2)C1 ZINC000131739691 684201668 /nfs/dbraw/zinc/20/16/68/684201668.db2.gz XWJZYKHJBPJVKG-LDYMZIIASA-N 1 0 314.172 2.363 10 0 DEAERO Cc1noc(C)c1CN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132298845 684207390 /nfs/dbraw/zinc/20/73/90/684207390.db2.gz JDNOJAJXPSRGSW-NHYWBVRUSA-N 1 0 308.426 2.162 10 0 DEAERO c1nn(-c2ccccc2)nc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159583194 684316507 /nfs/dbraw/zinc/31/65/07/684316507.db2.gz BDQXTFZFEQJNRP-ZACQAIPSSA-N 1 0 310.401 2.315 10 0 DEAERO C[C@@H]([NH2+]Cc1ccc(F)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000188974242 684369752 /nfs/dbraw/zinc/36/97/52/684369752.db2.gz AEIVPHLTZLSNCM-LLVKDONJSA-N 1 0 308.378 2.475 10 0 DEAERO C[NH+]=C(NCCN1CCc2c(Cl)cccc2C1)NC1CC1 ZINC000189386863 684380093 /nfs/dbraw/zinc/38/00/93/684380093.db2.gz OPIKGBFAMOGVMG-UHFFFAOYSA-N 1 0 306.841 2.026 10 0 DEAERO CCc1n[nH]c(C2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000190672389 684411663 /nfs/dbraw/zinc/41/16/63/684411663.db2.gz CHDJVCLGQZZLDJ-HNNXBMFYSA-N 1 0 300.406 2.280 10 0 DEAERO COc1ccc2ccc(O)c(C[N@@H+]3CCCNC(=O)[C@H]3C)c2c1 ZINC000190699060 684412286 /nfs/dbraw/zinc/41/22/86/684412286.db2.gz BGQXBALMYRSROV-GFCCVEGCSA-N 1 0 314.385 2.264 10 0 DEAERO C[C@@H]1C[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@H]1CO ZINC000190908229 684417120 /nfs/dbraw/zinc/41/71/20/684417120.db2.gz IMLHYTPTRYQECG-WBMJQRKESA-N 1 0 313.397 2.342 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccc(Cl)nc2)C1 ZINC000194171683 685059433 /nfs/dbraw/zinc/05/94/33/685059433.db2.gz RIPCFKBJCVNKAM-CYBMUJFWSA-N 1 0 310.829 2.361 10 0 DEAERO O=S(=O)(/C=C\c1ccc(Cl)cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000215356105 685105331 /nfs/dbraw/zinc/10/53/31/685105331.db2.gz VITNTBZTPGEKPA-SZNGSJQDSA-N 1 0 314.838 2.230 10 0 DEAERO CCNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000222021069 685106777 /nfs/dbraw/zinc/10/67/77/685106777.db2.gz MXSXBZANISHRNJ-SECBINFHSA-N 1 0 308.806 2.069 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000245429503 685111189 /nfs/dbraw/zinc/11/11/89/685111189.db2.gz YORRUKIWWLWKNG-IAGOWNOFSA-N 1 0 301.434 2.334 10 0 DEAERO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H]3CCC=CO3)cn2)C[C@H](C)O1 ZINC000248745673 685167046 /nfs/dbraw/zinc/16/70/46/685167046.db2.gz AWRMFDXFEUSLER-HLLBOEOZSA-N 1 0 317.433 2.478 10 0 DEAERO C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251573569 685191382 /nfs/dbraw/zinc/19/13/82/685191382.db2.gz VAWGPPOZRWFEOB-NEPJUHHUSA-N 1 0 316.854 2.415 10 0 DEAERO O[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000931119963 694320904 /nfs/dbraw/zinc/32/09/04/694320904.db2.gz BQUNDYOMZDCGJF-IRXDYDNUSA-N 1 0 312.417 2.006 10 0 DEAERO C[NH2+]CC1CCN(S(=O)(=O)c2c(C)sc(C)c2C)CC1 ZINC000722600308 776547869 /nfs/dbraw/zinc/54/78/69/776547869.db2.gz LALBAHRPAWPEKB-UHFFFAOYSA-N 1 0 316.492 2.293 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(C)sc(C)c1C ZINC000722603254 776579545 /nfs/dbraw/zinc/57/95/45/776579545.db2.gz VPHHYMNBFIXIBA-NWDGAFQWSA-N 1 0 302.465 2.092 10 0 DEAERO C[C@H](Cc1ccccc1F)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723879494 777197809 /nfs/dbraw/zinc/19/78/09/777197809.db2.gz PIEDYHBPJYALKP-GFCCVEGCSA-N 1 0 301.427 2.417 10 0 DEAERO COc1ccc(/C=C(/C)C(=O)N2CC[NH2+]C(C)(C)C2)cc1F ZINC000588446232 777202562 /nfs/dbraw/zinc/20/25/62/777202562.db2.gz BIPJZTIYHDEDMS-XFXZXTDPSA-N 1 0 306.381 2.448 10 0 DEAERO CC[C@@H]([NH2+]Cc1c(Br)cnn1C)[C@@H]1CCCOC1 ZINC000724007672 777220023 /nfs/dbraw/zinc/22/00/23/777220023.db2.gz KAMASRYQHHXXRP-ZYHUDNBSSA-N 1 0 316.243 2.477 10 0 DEAERO C[C@@H]1CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C[C@H](C)O1 ZINC000724084022 777237709 /nfs/dbraw/zinc/23/77/09/777237709.db2.gz AGMQUXSGJYFSRB-UTLUCORTSA-N 1 0 305.287 2.434 10 0 DEAERO C[C@@H]1C[C@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CCO1 ZINC000724104736 777241615 /nfs/dbraw/zinc/24/16/15/777241615.db2.gz OXZYNJGXORSDMD-BBBLOLIVSA-N 1 0 305.287 2.340 10 0 DEAERO C[C@](O)(C[N@@H+]1CCC12CCOCC2)C(F)(F)C(F)(F)F ZINC000724118063 777246008 /nfs/dbraw/zinc/24/60/08/777246008.db2.gz QRDKYGRPCYCMEB-VIFPVBQESA-N 1 0 303.271 2.190 10 0 DEAERO Brc1ccsc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724618071 777398269 /nfs/dbraw/zinc/39/82/69/777398269.db2.gz QINFWSBCRRYNMG-YWVKMMECSA-N 1 0 318.236 2.404 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CC23CC(O)C3)CC1 ZINC000725002259 777555446 /nfs/dbraw/zinc/55/54/46/777555446.db2.gz SQQDHSFEAJJNAI-ZBUZPQQSSA-N 1 0 310.438 2.279 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000725077347 777578613 /nfs/dbraw/zinc/57/86/13/777578613.db2.gz KWTMNGYSUFINOF-NDMJEZRESA-N 1 0 316.492 2.359 10 0 DEAERO CC[C@@H]1C[C@@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CCO1 ZINC000722488792 778739383 /nfs/dbraw/zinc/73/93/83/778739383.db2.gz DZUNIGZJZVDZNV-YNEHKIRRSA-N 1 0 300.399 2.085 10 0 DEAERO CC(C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCCCCC1)N1CCCC1=O ZINC000186310647 784378390 /nfs/dbraw/zinc/37/83/90/784378390.db2.gz ZXAAQEDCIOHKKV-WBVHZDCISA-N 1 0 323.481 2.014 10 0 DEAERO Cc1cnn(C)c1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000721894316 787323698 /nfs/dbraw/zinc/32/36/98/787323698.db2.gz YXFJEVAQHUYHBI-CHWSQXEVSA-N 1 0 308.426 2.074 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC(=O)N(C)C2)CN1Cc1ccccc1 ZINC000723581521 787344471 /nfs/dbraw/zinc/34/44/71/787344471.db2.gz LIJBJCZMWNAULT-BPQIPLTHSA-N 1 0 315.461 2.107 10 0 DEAERO Brc1c[nH]nc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723643317 787344842 /nfs/dbraw/zinc/34/48/42/787344842.db2.gz GHMCNHNBDGRNFJ-HBNTYKKESA-N 1 0 314.227 2.467 10 0 DEAERO O=C(C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)NCc1ccccc1 ZINC000723966105 787345965 /nfs/dbraw/zinc/34/59/65/787345965.db2.gz SMXRQEOURJGRSI-FUHWJXTLSA-N 1 0 302.418 2.098 10 0 DEAERO CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2CC23CC(O)C3)CC1 ZINC000725001027 787356188 /nfs/dbraw/zinc/35/61/88/787356188.db2.gz MYRVERFEMNSROR-DLUQRMLASA-N 1 0 310.438 2.325 10 0 DEAERO CON(C)C(=O)C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000397518972 790196584 /nfs/dbraw/zinc/19/65/84/790196584.db2.gz GOZCPPGTIDOHSM-QMMMGPOBSA-N 1 0 319.174 2.259 10 0 DEAERO C[C@H](Cc1ccccn1)[NH2+]Cc1cn(C)nc1Br ZINC000712462988 792188525 /nfs/dbraw/zinc/18/85/25/792188525.db2.gz YCJZAYFITYTPBR-SNVBAGLBSA-N 1 0 309.211 2.298 10 0 DEAERO CCC(CC)[C@H](O)C[NH2+]Cc1cn(C)nc1Br ZINC000712496865 792190524 /nfs/dbraw/zinc/19/05/24/792190524.db2.gz RTKREQDJUVSYQC-LLVKDONJSA-N 1 0 304.232 2.069 10 0 DEAERO Cn1cc(C[NH2+]CCOC2CCCC2)c(Br)n1 ZINC000712481988 792190560 /nfs/dbraw/zinc/19/05/60/792190560.db2.gz KFVDEHCGXNLPCI-UHFFFAOYSA-N 1 0 302.216 2.231 10 0 DEAERO Cc1[nH]c(=S)sc1CC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712665876 792193993 /nfs/dbraw/zinc/19/39/93/792193993.db2.gz ZSFYVBJPXGENBL-UHFFFAOYSA-N 1 0 313.492 2.225 10 0 DEAERO CC1(C)CC[NH2+]CCN1Cc1ncc(Br)s1 ZINC000713705114 792242656 /nfs/dbraw/zinc/24/26/56/792242656.db2.gz JCUVMWNCLVIYRW-UHFFFAOYSA-N 1 0 304.257 2.480 10 0 DEAERO COC[C@@H]1CCCC[N@H+](Cc2cn(C)nc2Br)C1 ZINC000713836240 792260559 /nfs/dbraw/zinc/26/05/59/792260559.db2.gz PYWNQBCRLUQKKZ-LLVKDONJSA-N 1 0 316.243 2.431 10 0 DEAERO COCC1CC([NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000713929993 792264848 /nfs/dbraw/zinc/26/48/48/792264848.db2.gz FXHGLBKEQSQCTE-UZANAETPSA-N 1 0 314.223 2.497 10 0 DEAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2sccc2Br)C1 ZINC000714243684 792304052 /nfs/dbraw/zinc/30/40/52/792304052.db2.gz FYHXTWOUUSYPJF-ZKCHVHJHSA-N 1 0 324.265 2.176 10 0 DEAERO CO[C@H]1C[C@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000714598454 792320998 /nfs/dbraw/zinc/32/09/98/792320998.db2.gz MVWURBKJQWITJL-LERXQTSPSA-N 1 0 314.223 2.497 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)C1(F)F ZINC000715156917 792397893 /nfs/dbraw/zinc/39/78/93/792397893.db2.gz IHIGQJNCMADCSZ-JQCXWYLXSA-N 1 0 300.271 2.064 10 0 DEAERO O=C(NC12CC[NH+](CC1)C2)c1ccc(F)c(Br)c1 ZINC000715500362 792470264 /nfs/dbraw/zinc/47/02/64/792470264.db2.gz GFFNGUJSUMBKOI-UHFFFAOYSA-N 1 0 313.170 2.166 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(C[NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000716755394 793005212 /nfs/dbraw/zinc/00/52/12/793005212.db2.gz YZQBRDIIRHCMIR-GFCCVEGCSA-N 1 0 322.396 2.239 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CC[C@H](O)C(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000716763588 793006356 /nfs/dbraw/zinc/00/63/56/793006356.db2.gz GDRGPFKGHKDPHR-WOPDTQHZSA-N 1 0 322.396 2.238 10 0 DEAERO C[C@H]([NH2+]CC[C@@H](O)C(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000716764902 793007006 /nfs/dbraw/zinc/00/70/06/793007006.db2.gz LRMIAXGYBCIUIT-SDDRHHMPSA-N 1 0 322.396 2.238 10 0 DEAERO Cn1ccnc1C[NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000238855234 797289460 /nfs/dbraw/zinc/28/94/60/797289460.db2.gz QVWPPHPXMFEBBJ-ZDUSSCGKSA-N 1 0 320.437 2.299 10 0 DEAERO Cc1nn(C)c(C[NH2+]C[C@H]2CC(C)(C)CO2)c1Br ZINC000717513745 799419388 /nfs/dbraw/zinc/41/93/88/799419388.db2.gz YODJHEXTSDWFTR-SNVBAGLBSA-N 1 0 316.243 2.396 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401732950 801846309 /nfs/dbraw/zinc/84/63/09/801846309.db2.gz PMWCZXQTBNHCNX-ZENOOKHLSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H]1C[C@H]([NH2+]Cc2ccn(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC000401751480 801848998 /nfs/dbraw/zinc/84/89/98/801848998.db2.gz YALPIWYHFJOCFL-JSGCOSHPSA-N 1 0 308.426 2.155 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000401858614 801856165 /nfs/dbraw/zinc/85/61/65/801856165.db2.gz WOUYVOJVKVMVMW-XJFOESAGSA-N 1 0 312.454 2.381 10 0 DEAERO C[C@@]1(CNc2nccnc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000402805846 801910889 /nfs/dbraw/zinc/91/08/89/801910889.db2.gz BWMIOXXGNIXZJD-KRWDZBQOSA-N 1 0 300.381 2.362 10 0 DEAERO CN1CC[C@H]([NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)C1 ZINC000404570858 802023930 /nfs/dbraw/zinc/02/39/30/802023930.db2.gz HNLGWFFSIHYHFJ-MJBXVCDLSA-N 1 0 309.454 2.116 10 0 DEAERO CCOCC[NH2+]Cc1ccccc1I ZINC000308541658 802066650 /nfs/dbraw/zinc/06/66/50/802066650.db2.gz UUSFDADEILAIBX-UHFFFAOYSA-N 1 0 305.159 2.417 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1csc(Br)n1 ZINC000709581212 1086683731 /nfs/dbraw/zinc/68/37/31/1086683731.db2.gz BWGARGDXJVURGN-QMMMGPOBSA-N 1 0 318.240 2.072 10 0 DEAERO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c1O ZINC000079407100 1080829218 /nfs/dbraw/zinc/82/92/18/1080829218.db2.gz AWNZLLRGSXCTMN-GFCCVEGCSA-N 1 0 322.380 2.034 10 0 DEAERO COCCN(CC[NH2+]Cc1cnsc1)C(=O)OC(C)(C)C ZINC000712851261 1081535353 /nfs/dbraw/zinc/53/53/53/1081535353.db2.gz IGEPYFXWHIIKAE-UHFFFAOYSA-N 1 0 315.439 2.116 10 0 DEAERO Brc1cc2c(c(C[NH2+][C@]34C[C@H]3COC4)c1)OCC2 ZINC000718029283 1081865505 /nfs/dbraw/zinc/86/55/05/1081865505.db2.gz AMNXTGMINYWYDV-FZMZJTMJSA-N 1 0 310.191 2.263 10 0 DEAERO CC[C@H]([NH2+]Cc1cn(C)nc1Br)[C@H]1CCOC1 ZINC000720644362 1085808522 /nfs/dbraw/zinc/80/85/22/1085808522.db2.gz AHIJUOMQESSRFH-ONGXEEELSA-N 1 0 302.216 2.087 10 0 DEAERO CN1CC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000720655939 1085816557 /nfs/dbraw/zinc/81/65/57/1085816557.db2.gz SYKCCBXXJCMEQK-VIYLOZMYSA-N 1 0 323.481 2.458 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)c[nH]1 ZINC000720816616 1086168085 /nfs/dbraw/zinc/16/80/85/1086168085.db2.gz OPWKYQCOMZFUGS-RYUDHWBXSA-N 1 0 312.211 2.086 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ncccc1Br ZINC000720818266 1086169055 /nfs/dbraw/zinc/16/90/55/1086169055.db2.gz UNRZOFUHJCAAJJ-NEPJUHHUSA-N 1 0 324.222 2.153 10 0 DEAERO [NH3+]C[C@@H]1CN(CCOCc2ccccc2)C[C@@H]1C(F)(F)F ZINC000720844122 1086289852 /nfs/dbraw/zinc/28/98/52/1086289852.db2.gz IBTSFAOYKRAANH-KGLIPLIRSA-N 1 0 302.340 2.272 10 0 DEAERO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000700143036 1086309508 /nfs/dbraw/zinc/30/95/08/1086309508.db2.gz OCIRNKQEMDLKJQ-JTQLQIEISA-N 1 0 306.378 2.156 10 0 DEAERO [NH3+]C1(CNC(=O)/C=C/c2ccc(Cl)s2)CCOCC1 ZINC000701180497 1086354660 /nfs/dbraw/zinc/35/46/60/1086354660.db2.gz XQUCWVMDOGCOKT-DUXPYHPUSA-N 1 0 300.811 2.039 10 0 DEAERO C[C@H]1[C@@H]([NH2+]CCOC2CCOCC2)CCN1Cc1ccccc1 ZINC000701391168 1086363871 /nfs/dbraw/zinc/36/38/71/1086363871.db2.gz VYPUELFLASMRLJ-LPHOPBHVSA-N 1 0 318.461 2.435 10 0 DEAERO Cc1ccc(N(C)C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000702409112 1086432260 /nfs/dbraw/zinc/43/22/60/1086432260.db2.gz OBIYOCUAOKWMFK-GOSISDBHSA-N 1 0 311.429 2.417 10 0 DEAERO COc1ccc(C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)cc1 ZINC000703381241 1086497303 /nfs/dbraw/zinc/49/73/03/1086497303.db2.gz ONCSBWSCQWPXKW-CYBMUJFWSA-N 1 0 308.378 2.336 10 0 DEAERO Cc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1Br ZINC000703549664 1086515550 /nfs/dbraw/zinc/51/55/50/1086515550.db2.gz KGRQYHAGHYUSFP-SWLSCSKDSA-N 1 0 323.234 2.439 10 0 DEAERO COC1CCC([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000703814206 1086554927 /nfs/dbraw/zinc/55/49/27/1086554927.db2.gz UPUDQFRBXPLHLS-OTTFEQOBSA-N 1 0 300.399 2.085 10 0 DEAERO COC[C@H](C)OC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000704469443 1086580479 /nfs/dbraw/zinc/58/04/79/1086580479.db2.gz AOYUBXKMOXISDQ-WMLDXEAASA-N 1 0 306.406 2.412 10 0 DEAERO [NH3+]CC1(NC(=O)/C=C\c2ccc(Cl)s2)CCOCC1 ZINC000707885475 1086674611 /nfs/dbraw/zinc/67/46/11/1086674611.db2.gz KDJBVCWZVCCINY-RQOWECAXSA-N 1 0 300.811 2.039 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000710997694 1086692271 /nfs/dbraw/zinc/69/22/71/1086692271.db2.gz RTPOHGRUZPNTKY-OIISXLGYSA-N 1 0 304.434 2.248 10 0 DEAERO COC1(OC)CC[C@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000710968393 1086692631 /nfs/dbraw/zinc/69/26/31/1086692631.db2.gz SWRJQSGYDACMKW-IAGOWNOFSA-N 1 0 304.434 2.250 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711337292 1087071080 /nfs/dbraw/zinc/07/10/80/1087071080.db2.gz XHTFJIAXKFEMJT-SNVBAGLBSA-N 1 0 315.211 2.246 10 0 DEAERO C[C@H](CC[S@@](C)=O)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711390930 1087081866 /nfs/dbraw/zinc/08/18/66/1087081866.db2.gz LPIJNDAEAYTDGG-AYMFLGRJSA-N 1 0 318.483 2.036 10 0 DEAERO O=C(C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)NCc1ccccc1 ZINC000711911649 1087223615 /nfs/dbraw/zinc/22/36/15/1087223615.db2.gz KKJLNFIXHGAFIO-WMZOPIPTSA-N 1 0 302.418 2.098 10 0 DEAERO CO[C@]1(C[NH2+]Cc2nc(C)c(Br)s2)CCOC1 ZINC000719225727 1088911454 /nfs/dbraw/zinc/91/14/54/1088911454.db2.gz YJNFTZKKFCYTIW-NSHDSACASA-N 1 0 321.240 2.109 10 0 DEAERO C[NH2+]C1CCN(Cc2nc(C)c(Br)s2)CC1 ZINC000719239735 1088911530 /nfs/dbraw/zinc/91/15/30/1088911530.db2.gz GPIDCFYTOHNNCJ-UHFFFAOYSA-N 1 0 304.257 2.398 10 0 DEAERO Cc1nc(CN(C)[C@H](C[NH3+])C2CC2)sc1Br ZINC000719254617 1088914926 /nfs/dbraw/zinc/91/49/26/1088914926.db2.gz WAAIJRLJSVEFBK-SECBINFHSA-N 1 0 304.257 2.383 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000719391789 1089082313 /nfs/dbraw/zinc/08/23/13/1089082313.db2.gz BQFBEWBPHUFDQS-OIBJUYFYSA-N 1 0 301.184 2.173 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000719391788 1089081004 /nfs/dbraw/zinc/08/10/04/1089081004.db2.gz BQFBEWBPHUFDQS-GMSGAONNSA-N 1 0 301.184 2.173 10 0 DEAERO C[C@H]1[C@@H](Nc2ccc(I)cn2)CC[N@@H+]1C ZINC000719781264 1091512593 /nfs/dbraw/zinc/51/25/93/1091512593.db2.gz KIRCIWKDENIURI-WPRPVWTQSA-N 1 0 317.174 2.191 10 0 DEAERO C[NH2+][C@@H](CSCCS(C)(=O)=O)c1cc(C)ccc1C ZINC000081768722 192322495 /nfs/dbraw/zinc/32/24/95/192322495.db2.gz HVMFYKOGLBXQQQ-AWEZNQCLSA-N 1 0 301.477 2.342 10 0 DEAERO CCc1ccc([C@@H](CSCCS(C)(=O)=O)[NH2+]C)cc1 ZINC000081769003 192322930 /nfs/dbraw/zinc/32/29/30/192322930.db2.gz VXZXDIJQOPYJIG-CQSZACIVSA-N 1 0 301.477 2.287 10 0 DEAERO C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)SCCS(C)(=O)=O ZINC000081768800 192323239 /nfs/dbraw/zinc/32/32/39/192323239.db2.gz RWZRHHNOHZCVQP-OCCSQVGLSA-N 1 0 301.477 2.422 10 0 DEAERO Cn1c(SC[C@H]([NH3+])c2ccc3ccccc3c2)n[nH]c1=O ZINC000081881904 192333948 /nfs/dbraw/zinc/33/39/48/192333948.db2.gz CTTDXNCBFSQUNC-ZDUSSCGKSA-N 1 0 300.387 2.054 10 0 DEAERO CCc1ccc([C@H]([NH3+])[C@@H](C)Sc2n[nH]c(=O)n2CC)cc1 ZINC000081879651 192334297 /nfs/dbraw/zinc/33/42/97/192334297.db2.gz CORUQGROPHWUEW-ZWNOBZJWSA-N 1 0 306.435 2.334 10 0 DEAERO CCn1c(=O)[nH]nc1SC[C@@H]([NH2+]C)c1ccc(C)cc1C ZINC000081879726 192334379 /nfs/dbraw/zinc/33/43/79/192334379.db2.gz NUDPLSQYNRFZPD-CYBMUJFWSA-N 1 0 306.435 2.261 10 0 DEAERO O=c1[nH]ccc2c(Br)cn(C[C@@H]3CCC[NH2+]C3)c21 ZINC000162635962 197581462 /nfs/dbraw/zinc/58/14/62/197581462.db2.gz NWQSXPXXJNSROX-SECBINFHSA-N 1 0 310.195 2.092 10 0 DEAERO CCC[NH2+]Cc1ccc(Cl)cc1N(C)CCS(C)(=O)=O ZINC000162882954 197598806 /nfs/dbraw/zinc/59/88/06/197598806.db2.gz GFCYKUUPJMDKFL-UHFFFAOYSA-N 1 0 318.870 2.320 10 0 DEAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1S(=O)(=O)CC(C)C ZINC000081928368 192340093 /nfs/dbraw/zinc/34/00/93/192340093.db2.gz PCWDPTSBIWXMLR-HZPDHXFCSA-N 1 0 311.447 2.341 10 0 DEAERO CC[NH2+]CC/C=C/c1c(Br)cnn1CCOC ZINC000163523411 197635642 /nfs/dbraw/zinc/63/56/42/197635642.db2.gz YEFSWBRYYVSEQL-GQCTYLIASA-N 1 0 302.216 2.305 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)C(C)=C1C[NH2+]C1 ZINC000164417639 197653362 /nfs/dbraw/zinc/65/33/62/197653362.db2.gz OAADETLEMCVVKO-UHFFFAOYSA-N 1 0 308.403 2.400 10 0 DEAERO CCOC(=O)CC[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000612438415 361827794 /nfs/dbraw/zinc/82/77/94/361827794.db2.gz WPECGSBQXBKFJN-MRXNPFEDSA-N 1 0 324.465 2.300 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1ccc(N)c(Br)c1 ZINC000078893442 185124283 /nfs/dbraw/zinc/12/42/83/185124283.db2.gz POXGENOPNYBEPL-UHFFFAOYSA-N 1 0 314.227 2.103 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2C[NH3+])CC1 ZINC000079308516 185164381 /nfs/dbraw/zinc/16/43/81/185164381.db2.gz HAVJPQLGVCDGKG-GFCCVEGCSA-N 1 0 314.426 2.485 10 0 DEAERO C[NH2+]C1CCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000237121504 290637503 /nfs/dbraw/zinc/63/75/03/290637503.db2.gz CLZRCYWZTBVNFW-IAGOWNOFSA-N 1 0 302.418 2.365 10 0 DEAERO COC(=O)[C@](C)([NH3+])CCSc1ccc(Br)cn1 ZINC000079447439 185171911 /nfs/dbraw/zinc/17/19/11/185171911.db2.gz WSPCIMNIBYSSBI-LLVKDONJSA-N 1 0 319.224 2.217 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079517940 185173815 /nfs/dbraw/zinc/17/38/15/185173815.db2.gz JIQPXMRQEUEANH-GFCCVEGCSA-N 1 0 301.184 2.143 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1)c1sccc1Br ZINC000082515154 185189359 /nfs/dbraw/zinc/18/93/59/185189359.db2.gz BYGREOYJVOHAEO-HTQZYQBOSA-N 1 0 303.225 2.440 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)NC1)c1sccc1Br ZINC000082515155 185189389 /nfs/dbraw/zinc/18/93/89/185189389.db2.gz BYGREOYJVOHAEO-YUMQZZPRSA-N 1 0 303.225 2.440 10 0 DEAERO CC[C@H](CC[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000082790250 185203512 /nfs/dbraw/zinc/20/35/12/185203512.db2.gz YUAZAPDUXNDEGE-SNVBAGLBSA-N 1 0 306.225 2.350 10 0 DEAERO C[C@@]([NH3+])(CO)CCCSc1ccc(Br)cn1 ZINC000082905408 185209648 /nfs/dbraw/zinc/20/96/48/185209648.db2.gz VAZXAZMSGQFIDA-NSHDSACASA-N 1 0 305.241 2.426 10 0 DEAERO C[C@H](C[C@@](C)(O)C[NH3+])Sc1ccc(Br)cn1 ZINC000082917620 185209649 /nfs/dbraw/zinc/20/96/49/185209649.db2.gz MAPKBHADJRNXOR-LDYMZIIASA-N 1 0 305.241 2.425 10 0 DEAERO O[C@@H](c1ccc(I)cc1)[C@H]1CCCC[NH2+]1 ZINC000082954587 185209650 /nfs/dbraw/zinc/20/96/50/185209650.db2.gz KYUXQCXTKONMAJ-NEPJUHHUSA-N 1 0 317.170 2.467 10 0 DEAERO CC[NH2+][C@H](CCO)CSc1ccc(Br)cn1 ZINC000082990730 185210848 /nfs/dbraw/zinc/21/08/48/185210848.db2.gz PHPQACUSPCGOFU-SNVBAGLBSA-N 1 0 305.241 2.297 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@H]1CCCCC(=O)N1 ZINC000328673451 231300295 /nfs/dbraw/zinc/30/02/95/231300295.db2.gz PCLVPEKRBKSMSB-RBSFLKMASA-N 1 0 307.438 2.361 10 0 DEAERO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2cnn(C(C)(C)C)c2)cnn1C ZINC000328643386 231279243 /nfs/dbraw/zinc/27/92/43/231279243.db2.gz YWAIHGVOOBEAEI-JKSUJKDBSA-N 1 0 317.437 2.300 10 0 DEAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000087404218 185223895 /nfs/dbraw/zinc/22/38/95/185223895.db2.gz VWCTZVRCMZEQJR-MRVPVSSYSA-N 1 0 311.234 2.399 10 0 DEAERO CC[C@@H](c1nc(-c2cn(C)nc2C)cs1)N1CC[NH2+]CC1 ZINC000087410461 185224395 /nfs/dbraw/zinc/22/43/95/185224395.db2.gz LWRXLKDGJOEAPH-AWEZNQCLSA-N 1 0 305.451 2.208 10 0 DEAERO CCCc1nnsc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000087455670 185225719 /nfs/dbraw/zinc/22/57/19/185225719.db2.gz HMNHVRRNWPWUOG-DGCLKSJQSA-N 1 0 308.451 2.237 10 0 DEAERO COc1ccc(Br)c(C[C@H]([NH3+])c2cnn(C)c2)c1 ZINC000087795845 185232030 /nfs/dbraw/zinc/23/20/30/185232030.db2.gz GLEMWRVIMZKYAZ-ZDUSSCGKSA-N 1 0 310.195 2.434 10 0 DEAERO COc1ccc(Br)c(Cn2ccnc2CC[NH3+])c1 ZINC000087796892 185232049 /nfs/dbraw/zinc/23/20/49/185232049.db2.gz WCNHHSQBYTURMF-UHFFFAOYSA-N 1 0 310.195 2.204 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000087516368 185227431 /nfs/dbraw/zinc/22/74/31/185227431.db2.gz AXPMKZZEXTXHSV-SNVBAGLBSA-N 1 0 311.813 2.355 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000087517853 185227462 /nfs/dbraw/zinc/22/74/62/185227462.db2.gz WKHRVGYRKGQZCP-SECBINFHSA-N 1 0 318.826 2.057 10 0 DEAERO CC(C)[C@@H]([NH3+])CS(=O)(=O)c1ccccc1Br ZINC000087539924 185228194 /nfs/dbraw/zinc/22/81/94/185228194.db2.gz PFKVKHMCPQFQPF-JTQLQIEISA-N 1 0 306.225 2.206 10 0 DEAERO C[NH2+][C@H](c1sccc1Br)[C@H]1CN(C)CCO1 ZINC000087570439 185228512 /nfs/dbraw/zinc/22/85/12/185228512.db2.gz OGMYJSWQZUFBHT-ZJUUUORDSA-N 1 0 305.241 2.102 10 0 DEAERO O[C@@H]1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1nc2cccnc2s1 ZINC000328807385 231352565 /nfs/dbraw/zinc/35/25/65/231352565.db2.gz MBYXOPPWDJBAMY-KWCYVHTRSA-N 1 0 319.430 2.053 10 0 DEAERO CC(C)(C)c1nc(-n2cc(Br)cn2)cc(NN)[nH+]1 ZINC000087910133 185237203 /nfs/dbraw/zinc/23/72/03/185237203.db2.gz SEODKPPBBFIUQG-UHFFFAOYSA-N 1 0 311.187 2.008 10 0 DEAERO [NH3+]C[C@]1(Nc2ccccc2Br)CCN(C2CC2)C1 ZINC000087914398 185237214 /nfs/dbraw/zinc/23/72/14/185237214.db2.gz NYTFPXZJCFQNDB-CQSZACIVSA-N 1 0 310.239 2.427 10 0 DEAERO CC[NH2+]C[C@@H](C)[C@H](C)n1cc(I)cn1 ZINC000087949618 185237613 /nfs/dbraw/zinc/23/76/13/185237613.db2.gz FCWHEJMXBBAYPJ-BDAKNGLRSA-N 1 0 307.179 2.294 10 0 DEAERO COCCC[C@H]([NH3+])CNCc1ccc(Br)s1 ZINC000088006022 185237930 /nfs/dbraw/zinc/23/79/30/185237930.db2.gz JOLFNWGDUYHUGY-VIFPVBQESA-N 1 0 307.257 2.354 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)[C@H]1COc2ccccc2C1 ZINC000088021232 185237941 /nfs/dbraw/zinc/23/79/41/185237941.db2.gz YFSZUTIXEBZMFC-CABCVRRESA-N 1 0 311.447 2.041 10 0 DEAERO COc1ccc(Br)cc1C[S@](=O)C[C@H](C)[NH3+] ZINC000088069484 185238579 /nfs/dbraw/zinc/23/85/79/185238579.db2.gz NGWHHFGMGNNYPG-PWJLMRLQSA-N 1 0 306.225 2.054 10 0 DEAERO O[C@@H](CSc1ccc2ccccc2c1)CN1CC[NH2+]CC1 ZINC000088061909 185238679 /nfs/dbraw/zinc/23/86/79/185238679.db2.gz AESRUBLXIAXSIR-MRXNPFEDSA-N 1 0 302.443 2.198 10 0 DEAERO CC[C@@H]([NH3+])CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000088074794 185238828 /nfs/dbraw/zinc/23/88/28/185238828.db2.gz ZMKHRUIOSOXAEW-LLVKDONJSA-N 1 0 306.225 2.101 10 0 DEAERO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1C(N)=S ZINC000087832392 185232678 /nfs/dbraw/zinc/23/26/78/185232678.db2.gz KTQWLKJWMIYERM-CYBMUJFWSA-N 1 0 308.447 2.066 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Br)cc1F)[C@@H]1COCCO1 ZINC000087857555 185233732 /nfs/dbraw/zinc/23/37/32/185233732.db2.gz DJGBLSOTWDTMOV-STQMWFEESA-N 1 0 318.186 2.134 10 0 DEAERO CCC[NH2+][C@H](c1occc1Br)[C@H]1COCCO1 ZINC000087858741 185233753 /nfs/dbraw/zinc/23/37/53/185233753.db2.gz CMVYTIVPLXVIRD-MNOVXSKESA-N 1 0 304.184 2.498 10 0 DEAERO O=[S@@](Cc1ccc(F)c(Br)c1)CC1C[NH2+]C1 ZINC000088090908 185239711 /nfs/dbraw/zinc/23/97/11/185239711.db2.gz YSIHGAXXPJHFHM-MRXNPFEDSA-N 1 0 306.200 2.056 10 0 DEAERO C[NH+](C)C[C@@H](O)CNc1ccc(Cl)cc1Br ZINC000088122950 185240170 /nfs/dbraw/zinc/24/01/70/185240170.db2.gz KVQUWKGROWCRMC-VIFPVBQESA-N 1 0 307.619 2.437 10 0 DEAERO NNc1ccc(C(=O)Nc2c3nsnc3ccc2Cl)c[nH+]1 ZINC000088129547 185240255 /nfs/dbraw/zinc/24/02/55/185240255.db2.gz HPCCOUPJUWIUFE-UHFFFAOYSA-N 1 0 320.765 2.278 10 0 DEAERO CCCN[C@H](CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000088435162 185249898 /nfs/dbraw/zinc/24/98/98/185249898.db2.gz CFXPJWHZVANBKL-NWDGAFQWSA-N 1 0 310.360 2.192 10 0 DEAERO CCCN[C@@](C)(C[NH+]1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000088435575 185250520 /nfs/dbraw/zinc/25/05/20/185250520.db2.gz RJMRJWZGDQOCTI-ZDUSSCGKSA-N 1 0 310.360 2.192 10 0 DEAERO CCC[NH2+][C@@](CO)(CN1CCC(C(F)(F)F)CC1)C1CC1 ZINC000088439751 185250708 /nfs/dbraw/zinc/25/07/08/185250708.db2.gz WCIZMAYWZJZGBU-CQSZACIVSA-N 1 0 308.388 2.401 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2C)o1 ZINC000088544273 185256888 /nfs/dbraw/zinc/25/68/88/185256888.db2.gz VTOZLKKKNWGJPS-UHFFFAOYSA-N 1 0 308.403 2.441 10 0 DEAERO CC(C)[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088541820 185255981 /nfs/dbraw/zinc/25/59/81/185255981.db2.gz ABMCSRWVSCVEDT-NSHDSACASA-N 1 0 302.440 2.491 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCCc3ccccc32)o1 ZINC000088543370 185256361 /nfs/dbraw/zinc/25/63/61/185256361.db2.gz CQEYEEVBAOOBTM-UHFFFAOYSA-N 1 0 306.387 2.141 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)CC)o1 ZINC000088542909 185256452 /nfs/dbraw/zinc/25/64/52/185256452.db2.gz RBHICWPDJULRCL-NWDGAFQWSA-N 1 0 302.440 2.492 10 0 DEAERO O=C(C[C@H]1CCCCNC1=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000329238954 231478137 /nfs/dbraw/zinc/47/81/37/231478137.db2.gz LOLWDHBVQORJAZ-HUUCEWRRSA-N 1 0 307.438 2.220 10 0 DEAERO CCc1ccc([C@H]([NH2+]C)[C@@H](C)S(=O)(=O)CCCOC)cc1 ZINC000081986309 192349165 /nfs/dbraw/zinc/34/91/65/192349165.db2.gz PFFAJXSVXWGWIW-CZUORRHYSA-N 1 0 313.463 2.349 10 0 DEAERO Cc1cc(C)c2c(N)c(C(=O)N3CCC[C@H]([NH3+])C3)sc2n1 ZINC000088641272 185260822 /nfs/dbraw/zinc/26/08/22/185260822.db2.gz XOIOMUBAYIKCSO-JTQLQIEISA-N 1 0 304.419 2.059 10 0 DEAERO CCc1nc(CC)n(-c2ncc(Br)cc2C[NH3+])n1 ZINC000088743812 185263626 /nfs/dbraw/zinc/26/36/26/185263626.db2.gz QZTSLUFOYMCXAB-UHFFFAOYSA-N 1 0 310.199 2.008 10 0 DEAERO CCC[NH2+]Cc1nnc(-c2cccc(S(C)(=O)=O)c2)s1 ZINC000088814140 185266397 /nfs/dbraw/zinc/26/63/97/185266397.db2.gz VOHZWCCUPWJVNO-UHFFFAOYSA-N 1 0 311.432 2.108 10 0 DEAERO [NH3+][C@@H]1CCCC[C@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982816 192349207 /nfs/dbraw/zinc/34/92/07/192349207.db2.gz VZGDCABSKIKGPB-VXGBXAGGSA-N 1 0 318.236 2.493 10 0 DEAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(=O)(=O)CCCOC ZINC000081986150 192349352 /nfs/dbraw/zinc/34/93/52/192349352.db2.gz NKAXFHLFHCLJNL-ZBFHGGJFSA-N 1 0 313.463 2.485 10 0 DEAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1S(=O)(=O)CCCOC ZINC000081986416 192349357 /nfs/dbraw/zinc/34/93/57/192349357.db2.gz AUPXOGLPCURXGY-KKUMJFAQSA-N 1 0 305.484 2.241 10 0 DEAERO CC[C@H]([NH3+])[C@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000081982633 192349552 /nfs/dbraw/zinc/34/95/52/192349552.db2.gz HVJBLQIAEUEZQY-KWQFWETISA-N 1 0 306.225 2.349 10 0 DEAERO NC(=O)c1ccc(NC(=O)C2(C[NH3+])CCCCC2)cc1Cl ZINC000165832207 197683190 /nfs/dbraw/zinc/68/31/90/197683190.db2.gz UOANXNHPTDHJSJ-UHFFFAOYSA-N 1 0 309.797 2.287 10 0 DEAERO Cc1c([C@H](C)[NH2+][C@H]2CCN(C)C2=O)cnn1-c1ccc(F)cc1 ZINC000090074622 185281018 /nfs/dbraw/zinc/28/10/18/185281018.db2.gz SAGUDYHUDOXRNB-ZBEGNZNMSA-N 1 0 316.380 2.201 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)C1CCOCC1)c1ccc(C)cc1C ZINC000081989652 192351058 /nfs/dbraw/zinc/35/10/58/192351058.db2.gz RAKFQALIAYOTMZ-MRXNPFEDSA-N 1 0 311.447 2.158 10 0 DEAERO [NH3+][C@H]1CCC2(C[C@H]1[S@](=O)c1ccccc1Cl)OCCO2 ZINC000082001848 192353056 /nfs/dbraw/zinc/35/30/56/192353056.db2.gz OHEXJGUAANOEEL-SCLGINMFSA-N 1 0 315.822 2.071 10 0 DEAERO OC[C@H](O)C[NH2+][C@H](c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000090282404 185289406 /nfs/dbraw/zinc/28/94/06/185289406.db2.gz KGTOJQOFQJKELX-CVEARBPZSA-N 1 0 307.777 2.078 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000090311589 185290575 /nfs/dbraw/zinc/29/05/75/185290575.db2.gz FSTZEZZNKAGDLT-BZPMIXESSA-N 1 0 317.216 2.157 10 0 DEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccccc1Br ZINC000090324740 185291090 /nfs/dbraw/zinc/29/10/90/185291090.db2.gz CQJJMNBCMPXRIO-CKYFFXLPSA-N 1 0 309.207 2.129 10 0 DEAERO COc1cc(Cl)ccc1C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090336102 185291467 /nfs/dbraw/zinc/29/14/67/185291467.db2.gz VNIUAXXUNCBHPB-GWCFXTLKSA-N 1 0 308.809 2.419 10 0 DEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000090487511 185298904 /nfs/dbraw/zinc/29/89/04/185298904.db2.gz SCOQFQCFHDETCY-NEPJUHHUSA-N 1 0 302.296 2.268 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1c2ncsc2ccc1Cl ZINC000090432862 185296101 /nfs/dbraw/zinc/29/61/01/185296101.db2.gz FSAASTYZGUFZJV-IONNQARKSA-N 1 0 311.794 2.123 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090593638 185305696 /nfs/dbraw/zinc/30/56/96/185305696.db2.gz MRBRZIVGYPMDGB-GXTWGEPZSA-N 1 0 317.216 2.316 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCc2sccc2[C@@H]1C ZINC000090542663 185302004 /nfs/dbraw/zinc/30/20/04/185302004.db2.gz OFFFIVOSVWAIFV-IACUBPJLSA-N 1 0 308.447 2.208 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]1 ZINC000166780972 197698337 /nfs/dbraw/zinc/69/83/37/197698337.db2.gz MCORLYOWTKWQGA-NSHDSACASA-N 1 0 302.827 2.069 10 0 DEAERO CCC(C)(C)NC(=O)CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179511290 282227341 /nfs/dbraw/zinc/22/73/41/282227341.db2.gz FVJUKMTZZGASKQ-ZDUSSCGKSA-N 1 0 319.453 2.166 10 0 DEAERO CC(C)S(=O)(=O)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000090701908 185310659 /nfs/dbraw/zinc/31/06/59/185310659.db2.gz KOQPNJXAEWXBIB-AWEZNQCLSA-N 1 0 320.524 2.018 10 0 DEAERO [NH3+]C[C@@H]1Cc2ccccc2CN1c1ncncc1Br ZINC000090782557 185311932 /nfs/dbraw/zinc/31/19/32/185311932.db2.gz DDYGUHXAKVXLQA-LBPRGKRZSA-N 1 0 319.206 2.129 10 0 DEAERO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@@H]1CCCO1 ZINC000095393982 299090401 /nfs/dbraw/zinc/09/04/01/299090401.db2.gz JJFVBYBJEQHYBV-JYJNAYRXSA-N 1 0 309.454 2.214 10 0 DEAERO COc1cc(Cl)c([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000166835079 197699824 /nfs/dbraw/zinc/69/98/24/197699824.db2.gz WKXZTHSSSGIBFB-KRTXAFLBSA-N 1 0 324.229 2.437 10 0 DEAERO CCCn1cc(Cl)cc1C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000167255093 197705372 /nfs/dbraw/zinc/70/53/72/197705372.db2.gz YFYZKLXFTJSAHI-QWHCGFSZSA-N 1 0 313.829 2.130 10 0 DEAERO CCC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1S(=O)(=O)CC ZINC000092388565 185315273 /nfs/dbraw/zinc/31/52/73/185315273.db2.gz JDSMTJLKZFMYEB-JKSUJKDBSA-N 1 0 311.447 2.485 10 0 DEAERO c1ncn(C2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)n1 ZINC000092647812 185331549 /nfs/dbraw/zinc/33/15/49/185331549.db2.gz JYXDJNKEQNKOKU-UHFFFAOYSA-N 1 0 312.421 2.110 10 0 DEAERO CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CC[C@@H](C)O3)c2)CC1 ZINC000184258664 282250020 /nfs/dbraw/zinc/25/00/20/282250020.db2.gz IOISASWDBOEKRO-PBHICJAKSA-N 1 0 317.433 2.335 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC(C)(C)COC)cc1 ZINC000167559913 197710446 /nfs/dbraw/zinc/71/04/46/197710446.db2.gz RVZGWXNRYZHGSC-LBPRGKRZSA-N 1 0 314.451 2.060 10 0 DEAERO CCCn1cc(C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)cn1 ZINC000185669235 282264742 /nfs/dbraw/zinc/26/47/42/282264742.db2.gz NJMHMZRKDXSNEY-HZPDHXFCSA-N 1 0 307.438 2.357 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CC1CC[NH2+]CC1 ZINC000168314911 197721084 /nfs/dbraw/zinc/72/10/84/197721084.db2.gz TVLLVUSAXVGKQC-HNNXBMFYSA-N 1 0 304.438 2.090 10 0 DEAERO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000181433008 199296190 /nfs/dbraw/zinc/29/61/90/199296190.db2.gz QGDJQQSPSQCSCC-NSHDSACASA-N 1 0 316.405 2.496 10 0 DEAERO COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000181497577 199307291 /nfs/dbraw/zinc/30/72/91/199307291.db2.gz REJWFIWOPKNZFK-ZDUSSCGKSA-N 1 0 314.385 2.170 10 0 DEAERO COC(=O)CC1(CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)CCCC1 ZINC000189093916 282307570 /nfs/dbraw/zinc/30/75/70/282307570.db2.gz KSEGFRZDVNYFMI-HNNXBMFYSA-N 1 0 324.465 2.491 10 0 DEAERO CC[NH+](CC)CCCCCNC(=O)CNC(=O)c1ccccc1 ZINC000169948283 197761903 /nfs/dbraw/zinc/76/19/03/197761903.db2.gz OWNDDBWAJKMYOG-UHFFFAOYSA-N 1 0 319.449 2.045 10 0 DEAERO C[C@@H]1C[C@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000103182586 185436983 /nfs/dbraw/zinc/43/69/83/185436983.db2.gz DCDBCWBFVUFGBF-CZUORRHYSA-N 1 0 305.422 2.225 10 0 DEAERO CCCOc1c(OC)cc([C@@H]2NN=C3CC[NH2+]C[C@@H]32)cc1OC ZINC000169964367 197762912 /nfs/dbraw/zinc/76/29/12/197762912.db2.gz KQNGEKJJHJBOCX-LRDDRELGSA-N 1 0 319.405 2.102 10 0 DEAERO C[C@@H]([NH3+])Cc1cc(Br)ccc1OCc1ncon1 ZINC000037725267 190665286 /nfs/dbraw/zinc/66/52/86/190665286.db2.gz MJCBHRQFBHAVKN-MRVPVSSYSA-N 1 0 312.167 2.301 10 0 DEAERO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000191642314 282332009 /nfs/dbraw/zinc/33/20/09/282332009.db2.gz ZIMHVQDRZSVMAV-QGZVFWFLSA-N 1 0 318.421 2.448 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C)sc1C ZINC000193810091 282357762 /nfs/dbraw/zinc/35/77/62/282357762.db2.gz DBYGMKPJQFQXML-GFCCVEGCSA-N 1 0 302.465 2.128 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000107346777 185477142 /nfs/dbraw/zinc/47/71/42/185477142.db2.gz QDZRRPSLCJEYQF-CABCVRRESA-N 1 0 311.470 2.001 10 0 DEAERO Brc1cc(Cn2cc(C[NH2+]C3CC3)nn2)cs1 ZINC000090297689 539415996 /nfs/dbraw/zinc/41/59/96/539415996.db2.gz JGMNXGPXEYBIBA-UHFFFAOYSA-N 1 0 313.224 2.402 10 0 DEAERO CS(=O)(=O)c1ccc(NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000097829764 539435377 /nfs/dbraw/zinc/43/53/77/539435377.db2.gz HAASSDRGMZTMSM-UHFFFAOYSA-N 1 0 302.399 2.305 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000245414251 282385367 /nfs/dbraw/zinc/38/53/67/282385367.db2.gz CCVCVURDHCBAGA-TWMKSMIVSA-N 1 0 309.498 2.343 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccccc1OC ZINC000245425023 282387186 /nfs/dbraw/zinc/38/71/86/282387186.db2.gz KKAYGFNKJXYQOA-GJZGRUSLSA-N 1 0 317.433 2.192 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(CC(C)C)C2CC2)[C@@H](C)C1 ZINC000245440748 282388971 /nfs/dbraw/zinc/38/89/71/282388971.db2.gz UVWQXNWOWKRIPP-RDJZCZTQSA-N 1 0 309.498 2.296 10 0 DEAERO CO[C@]1(C)C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1(C)C ZINC000245481913 282391171 /nfs/dbraw/zinc/39/11/71/282391171.db2.gz CVJNBOFXBANWPT-XJIUQZFPSA-N 1 0 311.470 2.314 10 0 DEAERO Cc1nc(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)sc1C ZINC000245493057 282391490 /nfs/dbraw/zinc/39/14/90/282391490.db2.gz KTLGMWJFAVEGJL-ZWNOBZJWSA-N 1 0 308.451 2.138 10 0 DEAERO CN(Cc1cncnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000122348125 539461172 /nfs/dbraw/zinc/46/11/72/539461172.db2.gz QJZIPLBNOHQFEF-UHFFFAOYSA-N 1 0 311.433 2.011 10 0 DEAERO C[NH+](C)C1CCC2(CC1)CCN(C(=O)Cc1cncnc1)CC2 ZINC000615446888 362608682 /nfs/dbraw/zinc/60/86/82/362608682.db2.gz XPCCZMZXSLBVCS-UHFFFAOYSA-N 1 0 316.449 2.132 10 0 DEAERO CN(Cc1ccc(F)cc1)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243896 185562406 /nfs/dbraw/zinc/56/24/06/185562406.db2.gz BHAIWHQYVHSCFP-CYBMUJFWSA-N 1 0 304.287 2.326 10 0 DEAERO C[C@@H]([NH3+])Cc1c(-n2ccc(C(F)(F)F)n2)nc2sccn12 ZINC000111514797 185610525 /nfs/dbraw/zinc/61/05/25/185610525.db2.gz WCQIYCGLDUCONS-SSDOTTSWSA-N 1 0 315.324 2.490 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccoc2Br)C[C@H]1[NH+](C)C ZINC000235376277 201915484 /nfs/dbraw/zinc/91/54/84/201915484.db2.gz LPEXNXDLZIFETB-PSASIEDQSA-N 1 0 301.184 2.064 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2ccncc2)CC1 ZINC000181859427 199363340 /nfs/dbraw/zinc/36/33/40/199363340.db2.gz LBMWWQRBFWBIPD-UHFFFAOYSA-N 1 0 324.428 2.405 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCCC3)CC2 ZINC000181938775 199366381 /nfs/dbraw/zinc/36/63/81/199366381.db2.gz RVNOLKKWPPNVPR-GFOFROLCSA-N 1 0 316.449 2.093 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)NC[C@@]1(C)CCCO1)c1ccccc1 ZINC000153839077 539547166 /nfs/dbraw/zinc/54/71/66/539547166.db2.gz SOUYNRJZKXFAOH-NVXWUHKLSA-N 1 0 305.422 2.158 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000279675419 215052371 /nfs/dbraw/zinc/05/23/71/215052371.db2.gz IHSMXJGDFJEOPK-MRXNPFEDSA-N 1 0 312.417 2.220 10 0 DEAERO CCc1nn(C)c(CC)c1CNC(=O)NC[C@H](C)[NH+](CC)CC ZINC000121199837 185763337 /nfs/dbraw/zinc/76/33/37/185763337.db2.gz IOGXVQFEBPYAPC-ZDUSSCGKSA-N 1 0 323.485 2.074 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000155525619 539559712 /nfs/dbraw/zinc/55/97/12/539559712.db2.gz RVJKAQRQEHCGRU-TXEJJXNPSA-N 1 0 303.381 2.401 10 0 DEAERO [NH3+]Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)o1 ZINC000155600513 539559763 /nfs/dbraw/zinc/55/97/63/539559763.db2.gz JASMQZISZCJWBE-ZDUSSCGKSA-N 1 0 314.341 2.444 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]Cc2sccc2Br)C1 ZINC000083552797 192371941 /nfs/dbraw/zinc/37/19/41/192371941.db2.gz OFZYIASEGQYXGF-JTQLQIEISA-N 1 0 319.268 2.321 10 0 DEAERO CCc1ccc(S(=O)(=O)N2[C@@H](C[NH3+])CCC[C@@H]2C)s1 ZINC000070154187 190863543 /nfs/dbraw/zinc/86/35/43/190863543.db2.gz NNYMSQWKSMRBFU-WDEREUQCSA-N 1 0 302.465 2.201 10 0 DEAERO CCC[NH2+][C@@H](CCO)C[S@](=O)c1ccc(F)c(Cl)c1 ZINC000126872129 185899080 /nfs/dbraw/zinc/89/90/80/185899080.db2.gz SPWVTHYEWGQANU-APBUJDDRSA-N 1 0 307.818 2.337 10 0 DEAERO CC[NH2+]C[C@@](C)(C[C@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000126918014 185903772 /nfs/dbraw/zinc/90/37/72/185903772.db2.gz ISFNXIPRELTLRX-UKRRQHHQSA-N 1 0 302.484 2.074 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000287000928 219263624 /nfs/dbraw/zinc/26/36/24/219263624.db2.gz KCYWSXUKLKSKGG-RYUDHWBXSA-N 1 0 314.476 2.128 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000287000933 219263945 /nfs/dbraw/zinc/26/39/45/219263945.db2.gz KCYWSXUKLKSKGG-VXGBXAGGSA-N 1 0 314.476 2.128 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2cncnc2)C1 ZINC000616620176 362899015 /nfs/dbraw/zinc/89/90/15/362899015.db2.gz OMJFBKCPTNHVAP-CYBMUJFWSA-N 1 0 306.410 2.181 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](Nc2ccccn2)C1 ZINC000616619297 362899428 /nfs/dbraw/zinc/89/94/28/362899428.db2.gz FJYIIKNRAMPLDJ-CQSZACIVSA-N 1 0 320.437 2.483 10 0 DEAERO CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000616633143 362902229 /nfs/dbraw/zinc/90/22/29/362902229.db2.gz LGMJCEOFMUPBHT-INIZCTEOSA-N 1 0 319.449 2.375 10 0 DEAERO NC(=O)c1cccc([C@@H]2COCC[N@H+](Cc3ccccc3)C2)c1 ZINC000616661735 362905872 /nfs/dbraw/zinc/90/58/72/362905872.db2.gz YHMILYPEGYQCKQ-SFHVURJKSA-N 1 0 310.397 2.402 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2cnno2)CC1 ZINC000616627111 362900889 /nfs/dbraw/zinc/90/08/89/362900889.db2.gz DASKZTVIJMFXAX-LBPRGKRZSA-N 1 0 310.398 2.164 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cnc(C2CC2)nc1 ZINC000176344930 539626793 /nfs/dbraw/zinc/62/67/93/539626793.db2.gz DYNODZJIEBYSQR-CQSZACIVSA-N 1 0 303.410 2.302 10 0 DEAERO COCC[NH2+]CCCCOc1cncc(Br)c1 ZINC000070488353 190902421 /nfs/dbraw/zinc/90/24/21/190902421.db2.gz AHFDRGFPABKJKG-UHFFFAOYSA-N 1 0 303.200 2.239 10 0 DEAERO CCCNC(=O)[C@@H](C)Oc1ccc(C[NH3+])cc1Br ZINC000070579945 190907718 /nfs/dbraw/zinc/90/77/18/190907718.db2.gz DFAJTBXWTZPQQY-SECBINFHSA-N 1 0 315.211 2.201 10 0 DEAERO CCO[C@@H](C)C[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000130042725 185931723 /nfs/dbraw/zinc/93/17/23/185931723.db2.gz DCVWGOOLQOAZGF-JSGCOSHPSA-N 1 0 301.814 2.232 10 0 DEAERO [NH3+]C[C@@H](c1cccs1)n1cc(I)cn1 ZINC000070677191 190910312 /nfs/dbraw/zinc/91/03/12/190910312.db2.gz UQDVVKJQIMETRV-QMMMGPOBSA-N 1 0 319.171 2.097 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)c2ccccc21 ZINC000186167337 539674074 /nfs/dbraw/zinc/67/40/74/539674074.db2.gz IEABJODWVFETAD-JKSUJKDBSA-N 1 0 323.458 2.436 10 0 DEAERO CC(C)OCCC[NH2+]CCn1cc(C(F)(F)F)ccc1=O ZINC000071212181 190942392 /nfs/dbraw/zinc/94/23/92/190942392.db2.gz KBIJVMCRZSNPLH-UHFFFAOYSA-N 1 0 306.328 2.272 10 0 DEAERO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH+](C)C)CC1 ZINC000189032351 539686321 /nfs/dbraw/zinc/68/63/21/539686321.db2.gz FGEYNRQUKADOLP-CYBMUJFWSA-N 1 0 310.463 2.177 10 0 DEAERO Fc1ccc(C[NH2+]CCCc2nnc[nH]2)cc1Br ZINC000080568844 192168967 /nfs/dbraw/zinc/16/89/67/192168967.db2.gz GBZOYZNCLLBKBS-UHFFFAOYSA-N 1 0 313.174 2.429 10 0 DEAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCCC2CC2)C1 ZINC000190720619 539696480 /nfs/dbraw/zinc/69/64/80/539696480.db2.gz PFCURXNOVOALMY-QGZVFWFLSA-N 1 0 316.449 2.345 10 0 DEAERO CN(Cc1nc2c(s1)CCCC2)C(=O)CCc1c[nH]cn1 ZINC000193431111 539713406 /nfs/dbraw/zinc/71/34/06/539713406.db2.gz QXQVNVYHMHGOOM-UHFFFAOYSA-N 1 0 304.419 2.336 10 0 DEAERO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC([NH+](C)C)CC1 ZINC000193822323 539715329 /nfs/dbraw/zinc/71/53/29/539715329.db2.gz DJFCUJSRPFVLEB-NSHDSACASA-N 1 0 311.376 2.318 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC000193835400 539715497 /nfs/dbraw/zinc/71/54/97/539715497.db2.gz XHSDEJXKVSVRKH-NSHDSACASA-N 1 0 303.410 2.480 10 0 DEAERO CCC[NH2+][C@H]1CCN(CCS(=O)(=O)CC)c2ccccc21 ZINC000071378364 190963872 /nfs/dbraw/zinc/96/38/72/190963872.db2.gz XNCNGWSDQXXCMT-HNNXBMFYSA-N 1 0 310.463 2.372 10 0 DEAERO CC(C)C[NH2+]Cc1ccc(OCC(N)=O)c(C(F)(F)F)c1 ZINC000071398819 190967150 /nfs/dbraw/zinc/96/71/50/190967150.db2.gz RVKJJPOWMGCCPZ-UHFFFAOYSA-N 1 0 304.312 2.315 10 0 DEAERO [NH3+][C@@H](Cc1ccc(I)cc1)[C@@H]1CCCO1 ZINC000083850937 192386247 /nfs/dbraw/zinc/38/62/47/192386247.db2.gz OSQPIVYVXADMAI-RYUDHWBXSA-N 1 0 317.170 2.340 10 0 DEAERO [NH3+][C@@H](C[S@](=O)C1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000084054841 192397590 /nfs/dbraw/zinc/39/75/90/192397590.db2.gz NKQUNDZKGKKICE-COMXMCLZSA-N 1 0 311.491 2.458 10 0 DEAERO CC(C)[N@H+](CC(N)=O)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084069509 192399655 /nfs/dbraw/zinc/39/96/55/192399655.db2.gz CWZUZGMQXFQHGY-UHFFFAOYSA-N 1 0 309.435 2.156 10 0 DEAERO CN(C(=O)c1cc(Br)cn1C)[C@H]1CCC[NH2+]CC1 ZINC000231466725 539735104 /nfs/dbraw/zinc/73/51/04/539735104.db2.gz SWQKQFYSJCAJAO-NSHDSACASA-N 1 0 314.227 2.002 10 0 DEAERO CC[C@](C)(CO)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000084440052 192430662 /nfs/dbraw/zinc/43/06/62/192430662.db2.gz LMNGCOQGIGVVNY-CZUORRHYSA-N 1 0 300.443 2.384 10 0 DEAERO C[C@@H]1C[C@H](C)CC(C[NH3+])(N2CCN(CC(F)(F)F)CC2)C1 ZINC000084469893 192431229 /nfs/dbraw/zinc/43/12/29/192431229.db2.gz PMFZLQVMEBNLPH-PBWFPOADSA-N 1 0 307.404 2.320 10 0 DEAERO CCS(=O)(=O)N1CCC([NH2+]C2C[C@H](C)C[C@H](C)C2)CC1 ZINC000084463253 192431337 /nfs/dbraw/zinc/43/13/37/192431337.db2.gz JFTJAVPTBYWALB-NNQSOWQGSA-N 1 0 302.484 2.215 10 0 DEAERO Cc1cc(NC(=O)Cc2csc(CCCCC[NH3+])n2)no1 ZINC000071693952 191008413 /nfs/dbraw/zinc/00/84/13/191008413.db2.gz XGTJZFPYUKYRJC-UHFFFAOYSA-N 1 0 308.407 2.292 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC3CC3)c2)[C@@H](C)C1 ZINC000246131503 539761319 /nfs/dbraw/zinc/76/13/19/539761319.db2.gz ZPKDVZCNGXXPTF-XJKSGUPXSA-N 1 0 319.453 2.487 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000138601735 186017816 /nfs/dbraw/zinc/01/78/16/186017816.db2.gz LMUMGBVLOPAYQT-UHFFFAOYSA-N 1 0 306.378 2.151 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c([C@@H]3CCCCC[C@@H]3[NH3+])nc21 ZINC000138144267 186014001 /nfs/dbraw/zinc/01/40/01/186014001.db2.gz DPPHGFFUQMHOMU-MNOVXSKESA-N 1 0 307.419 2.341 10 0 DEAERO COc1ccccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139902867 186024861 /nfs/dbraw/zinc/02/48/61/186024861.db2.gz QSHZOPVTIBEMAP-ZBFHGGJFSA-N 1 0 317.433 2.050 10 0 DEAERO C[NH+](C)CCn1ncc(Cl)c1C(=O)c1ccncc1Cl ZINC000140881362 186028445 /nfs/dbraw/zinc/02/84/45/186028445.db2.gz IRBQXIKBVRFZAU-UHFFFAOYSA-N 1 0 313.188 2.378 10 0 DEAERO C[NH2+]Cc1sc2ccccc2c1S(=O)(=O)NCC(F)F ZINC000148155886 186043314 /nfs/dbraw/zinc/04/33/14/186043314.db2.gz NJEPUXWIVFMILA-UHFFFAOYSA-N 1 0 320.386 2.164 10 0 DEAERO CN(CC(C)(C)C[NH3+])C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000262582109 282674841 /nfs/dbraw/zinc/67/48/41/282674841.db2.gz KPUCWQQNSGELRQ-KBPBESRZSA-N 1 0 318.417 2.005 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1CNCc1sccc1Br ZINC000148336335 186044622 /nfs/dbraw/zinc/04/46/22/186044622.db2.gz YHGXEZNZPBUEIB-ONGXEEELSA-N 1 0 319.268 2.225 10 0 DEAERO CN(C1CCC1)S(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000144575148 186035707 /nfs/dbraw/zinc/03/57/07/186035707.db2.gz VYFLUJFSEHLORV-UHFFFAOYSA-N 1 0 300.424 2.341 10 0 DEAERO C[C@@H](O)C(C)(C)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000145027480 186036543 /nfs/dbraw/zinc/03/65/43/186036543.db2.gz NHZJMVVKZBCDOX-ZJUUUORDSA-N 1 0 322.232 2.482 10 0 DEAERO CCC[C@@H]1N[C@@H](c2ccc(C)s2)N([C@@H]2CC[N@H+](C)C2)C1=O ZINC000145235589 186036572 /nfs/dbraw/zinc/03/65/72/186036572.db2.gz KHOPMIXTVWXYMP-VNHYZAJKSA-N 1 0 307.463 2.360 10 0 DEAERO O=C(CCN1CCC[N@@H+](C2CC2)CC1)Nc1cccc(F)c1 ZINC000145708181 186038114 /nfs/dbraw/zinc/03/81/14/186038114.db2.gz XKNFZLQVVFBODW-UHFFFAOYSA-N 1 0 305.397 2.324 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000149260794 186048251 /nfs/dbraw/zinc/04/82/51/186048251.db2.gz GLDMQMRPDNUEFI-IIAWOOMASA-N 1 0 310.463 2.322 10 0 DEAERO C[C@H](CS(=O)(=O)NC[C@@H]1CCC[C@@H](C)[NH2+]1)c1ccccc1 ZINC000149377537 186049482 /nfs/dbraw/zinc/04/94/82/186049482.db2.gz SELGSAMLABTPMM-FMKPAKJESA-N 1 0 310.463 2.240 10 0 DEAERO CCC[NH2+][C@H](C)c1ccc(SCCS(C)(=O)=O)cn1 ZINC000149447917 186050392 /nfs/dbraw/zinc/05/03/92/186050392.db2.gz GEDVQZYGWKUVCD-LLVKDONJSA-N 1 0 302.465 2.279 10 0 DEAERO C[C@H](CS(=O)(=O)N(C)CC1CC[NH2+]CC1)c1ccccc1 ZINC000149520265 186050936 /nfs/dbraw/zinc/05/09/36/186050936.db2.gz TUHBOLAQFCUXKK-CQSZACIVSA-N 1 0 310.463 2.051 10 0 DEAERO CCc1nn(C)c(C[NH2+][C@@H]2CCO[C@@H]2C)c1Br ZINC000149589279 186051413 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ZINC000171080087 197876595 /nfs/dbraw/zinc/87/65/95/197876595.db2.gz WHOXGKVFHBRQHX-GFCCVEGCSA-N 1 0 324.812 2.466 10 0 DEAERO O=C(CCC(=O)c1ccc(F)c(F)c1)NCC[C@@H]1CCC[NH2+]C1 ZINC000152692923 186097807 /nfs/dbraw/zinc/09/78/07/186097807.db2.gz WAVGWASAGZFXSP-LBPRGKRZSA-N 1 0 324.371 2.434 10 0 DEAERO C[C@H]([NH3+])Cc1ccc(Sc2nnnn2C)c(C(F)(F)F)c1 ZINC000164047858 186146974 /nfs/dbraw/zinc/14/69/74/186146974.db2.gz QPRDLSXKIHSKLS-ZETCQYMHSA-N 1 0 317.340 2.270 10 0 DEAERO CCC[NH2+]C[C@H]1COCCN1c1ccncc1Br ZINC000164157302 186150355 /nfs/dbraw/zinc/15/03/55/186150355.db2.gz OZDGPMUFMJMZNJ-NSHDSACASA-N 1 0 314.227 2.049 10 0 DEAERO Cc1ccc(S(C)(=O)=O)cc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155887929 186120696 /nfs/dbraw/zinc/12/06/96/186120696.db2.gz YAELBERUFOPOSE-ZIAGYGMSSA-N 1 0 308.447 2.437 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1ccccc1Br ZINC000159569662 186127827 /nfs/dbraw/zinc/12/78/27/186127827.db2.gz LUOJQLHQTJZOJS-SNVBAGLBSA-N 1 0 301.184 2.142 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])[C@@H]2CCSC2)c1Br ZINC000163850076 186140547 /nfs/dbraw/zinc/14/05/47/186140547.db2.gz ALVFIAJFCVDCSD-BDAKNGLRSA-N 1 0 304.257 2.114 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N(CCO)CCOC ZINC000164210388 186151750 /nfs/dbraw/zinc/15/17/50/186151750.db2.gz RXUHCRAPFHKUNE-ZWNOBZJWSA-N 1 0 306.859 2.121 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)C(C)=C1C[NH2+]C1 ZINC000164410514 186158634 /nfs/dbraw/zinc/15/86/34/186158634.db2.gz BCKRATWJSCOBOW-UHFFFAOYSA-N 1 0 308.403 2.345 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000164417536 186158762 /nfs/dbraw/zinc/15/87/62/186158762.db2.gz NGUYFHWSJRUUQY-SECBINFHSA-N 1 0 310.419 2.336 10 0 DEAERO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 ZINC000181929715 186220293 /nfs/dbraw/zinc/22/02/93/186220293.db2.gz HBTXPEMZEJOLBE-KBPBESRZSA-N 1 0 305.422 2.016 10 0 DEAERO [NH3+]Cc1cc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)co1 ZINC000187984761 186239227 /nfs/dbraw/zinc/23/92/27/186239227.db2.gz VVIWTMQCCNKKJO-RDJZCZTQSA-N 1 0 314.385 2.467 10 0 DEAERO NC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000253395242 186304239 /nfs/dbraw/zinc/30/42/39/186304239.db2.gz QKFQLWXDXNKEAE-IAGOWNOFSA-N 1 0 314.360 2.233 10 0 DEAERO CC(=O)c1ccc(NC(=O)CCN2CCO[C@@H](CCF)C2)cc1 ZINC000626004050 365998961 /nfs/dbraw/zinc/99/89/61/365998961.db2.gz XXCOCBXQKJLCIC-INIZCTEOSA-N 1 0 322.380 2.278 10 0 DEAERO CC(=O)c1ccccc1OCC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626011651 366004302 /nfs/dbraw/zinc/00/43/02/366004302.db2.gz STMDKCXUDYBWIW-MAUKXSAKSA-N 1 0 303.402 2.362 10 0 DEAERO CCOc1ccc(OC)cc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171894862 198003098 /nfs/dbraw/zinc/00/30/98/198003098.db2.gz DYKVKOHREPBUJQ-ZDUSSCGKSA-N 1 0 319.405 2.406 10 0 DEAERO COc1ccc(CCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171903736 198005177 /nfs/dbraw/zinc/00/51/77/198005177.db2.gz ZHPPLVUDNDPVOZ-MRXNPFEDSA-N 1 0 317.433 2.117 10 0 DEAERO CSCC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000172062420 198033149 /nfs/dbraw/zinc/03/31/49/198033149.db2.gz BIFNSEZMWDBHBJ-CQSZACIVSA-N 1 0 322.474 2.366 10 0 DEAERO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1nncs1 ZINC000172195719 198056429 /nfs/dbraw/zinc/05/64/29/198056429.db2.gz SSSHJCDNFAUZPV-CYBMUJFWSA-N 1 0 317.418 2.324 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000333877399 282983995 /nfs/dbraw/zinc/98/39/95/282983995.db2.gz VOXLDMAKKUNTLV-HOTGVXAUSA-N 1 0 321.396 2.051 10 0 DEAERO CC[C@@H]1CN(C(=O)NCc2cccs2)CC[N@@H+]1CCOC ZINC000172320812 198079680 /nfs/dbraw/zinc/07/96/80/198079680.db2.gz AFYSNQFCNLTPAU-CYBMUJFWSA-N 1 0 311.451 2.000 10 0 DEAERO COCCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000172617208 198124517 /nfs/dbraw/zinc/12/45/17/198124517.db2.gz QNVHCVQVBHYKLC-HOCLYGCPSA-N 1 0 320.433 2.267 10 0 DEAERO Cc1nc(NC(=O)[C@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)sc1C ZINC000172804146 198152326 /nfs/dbraw/zinc/15/23/26/198152326.db2.gz NNUSNGNUEXOONP-GXTWGEPZSA-N 1 0 322.478 2.257 10 0 DEAERO c1csc(-c2noc(CN3CC[N@@H+]4CCCC[C@@H]4C3)n2)c1 ZINC000172801858 198150788 /nfs/dbraw/zinc/15/07/88/198150788.db2.gz BPLQODKULZVHMM-GFCCVEGCSA-N 1 0 304.419 2.468 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2ccccc2OC)C1 ZINC000072834959 191237343 /nfs/dbraw/zinc/23/73/43/191237343.db2.gz JKFOLWISXKHUFK-CQSZACIVSA-N 1 0 305.422 2.050 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccccc2F)CC[N@@H+]1C ZINC000173269498 198204549 /nfs/dbraw/zinc/20/45/49/198204549.db2.gz KQVGHWDQZCBYKL-TZMCWYRMSA-N 1 0 314.426 2.070 10 0 DEAERO C[C@H](NC(=O)Nc1cnc2c(c1)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000333111498 539948655 /nfs/dbraw/zinc/94/86/55/539948655.db2.gz GOFLXGARNASOLL-GXTWGEPZSA-N 1 0 302.422 2.470 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(F)c2F)CC[N@@H+]1C ZINC000173274111 198204874 /nfs/dbraw/zinc/20/48/74/198204874.db2.gz FBUIDDIUZSPBHJ-GHMZBOCLSA-N 1 0 318.389 2.068 10 0 DEAERO C[C@@H](NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000333283014 539954640 /nfs/dbraw/zinc/95/46/40/539954640.db2.gz MUIAMGOOQOOICG-TZMCWYRMSA-N 1 0 304.438 2.196 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccccc2Cl)CC[N@@H+]1C ZINC000173275735 198205968 /nfs/dbraw/zinc/20/59/68/198205968.db2.gz NBORUHCYBRAEKI-NWDGAFQWSA-N 1 0 316.854 2.443 10 0 DEAERO Cc1cnc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000333176535 539950634 /nfs/dbraw/zinc/95/06/34/539950634.db2.gz LONUQWRVFTVOAT-JSGCOSHPSA-N 1 0 304.394 2.464 10 0 DEAERO COc1cccc(NC(=O)CC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000173529609 198224415 /nfs/dbraw/zinc/22/44/15/198224415.db2.gz ZZVFUKCJRVMKMW-ZBFHGGJFSA-N 1 0 319.449 2.438 10 0 DEAERO C[C@H](NC(=O)N1CCC([NH2+]CC2CC2)CC1)[C@@H]1CCCCO1 ZINC000333595321 539964092 /nfs/dbraw/zinc/96/40/92/539964092.db2.gz BLOKDWVKANPCQM-BBRMVZONSA-N 1 0 309.454 2.118 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nc(C)cs1 ZINC000173620319 198234046 /nfs/dbraw/zinc/23/40/46/198234046.db2.gz ORSMIMGMMBSZJR-QWHCGFSZSA-N 1 0 308.451 2.220 10 0 DEAERO COCC[N@@H+]1CCN(CCOc2ccc(SC)cc2)C[C@H]1C ZINC000173678684 198239922 /nfs/dbraw/zinc/23/99/22/198239922.db2.gz SASQSSYDRZIDES-OAHLLOKOSA-N 1 0 324.490 2.440 10 0 DEAERO O=C(N[C@@H]1CCc2ccccc2C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333715223 539970310 /nfs/dbraw/zinc/97/03/10/539970310.db2.gz FXHRYTVTEUVORP-BSDSXHPESA-N 1 0 313.445 2.231 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000333874058 539974514 /nfs/dbraw/zinc/97/45/14/539974514.db2.gz VBGSOEIASJJTNF-NUEKZKHPSA-N 1 0 309.454 2.118 10 0 DEAERO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)c1 ZINC000174010264 198280148 /nfs/dbraw/zinc/28/01/48/198280148.db2.gz XTBMHBUSOAGWOH-KGLIPLIRSA-N 1 0 317.433 2.495 10 0 DEAERO CCc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1F ZINC000182088378 199384971 /nfs/dbraw/zinc/38/49/71/199384971.db2.gz CPGHOBOVCCDMFB-QWHCGFSZSA-N 1 0 323.412 2.307 10 0 DEAERO O=C(NCc1cccc2cccnc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174422428 198333111 /nfs/dbraw/zinc/33/31/11/198333111.db2.gz XFOCZGZGMCSTIY-KRWDZBQOSA-N 1 0 322.412 2.391 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCCc2cccc(O)c2)CC[N@@H+]1C ZINC000174616264 198359667 /nfs/dbraw/zinc/35/96/67/198359667.db2.gz GAEJHGHKAOHXPU-UKRRQHHQSA-N 1 0 305.422 2.059 10 0 DEAERO C[C@H](CNC(=O)N[C@@H](C)COCc1ccccc1)[N@H+](C)C1CC1 ZINC000174734979 198376918 /nfs/dbraw/zinc/37/69/18/198376918.db2.gz NGHBGUYDQNQJMI-LSDHHAIUSA-N 1 0 319.449 2.374 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000174734991 198377165 /nfs/dbraw/zinc/37/71/65/198377165.db2.gz NGHBGUYDQNQJMI-CABCVRRESA-N 1 0 319.449 2.374 10 0 DEAERO Cc1cc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C3(C)C)CC2)n[nH]1 ZINC000333104234 282917164 /nfs/dbraw/zinc/91/71/64/282917164.db2.gz QORBHANHGOVUHV-BMFZPTHFSA-N 1 0 304.438 2.090 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000333515400 282935936 /nfs/dbraw/zinc/93/59/36/282935936.db2.gz GBLKUHFNCPFBKB-DLKVLKDVSA-N 1 0 305.397 2.369 10 0 DEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333533014 282943535 /nfs/dbraw/zinc/94/35/35/282943535.db2.gz MNUJITMFBPUHIZ-BBRMVZONSA-N 1 0 313.405 2.054 10 0 DEAERO c1cnc(-c2ccnc(N3CCCC[C@@H]([NH+]4CCCC4)C3)n2)cn1 ZINC000333543561 282948765 /nfs/dbraw/zinc/94/87/65/282948765.db2.gz LMUXPBPALLWLJJ-OAHLLOKOSA-N 1 0 324.432 2.388 10 0 DEAERO CCc1ccc(-n2c(CN3CC[NH2+]CC3)nc3cccnc32)cc1 ZINC000022938607 354056209 /nfs/dbraw/zinc/05/62/09/354056209.db2.gz HOZILSWTXQWONN-UHFFFAOYSA-N 1 0 321.428 2.388 10 0 DEAERO COc1ccccc1[C@H](CNC(=O)CSC)[NH+]1CCCC1 ZINC000041299207 354171333 /nfs/dbraw/zinc/17/13/33/354171333.db2.gz DNWDNFKOVDRDLJ-AWEZNQCLSA-N 1 0 308.447 2.311 10 0 DEAERO CCC[C@H]([NH3+])C(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000236796894 202014136 /nfs/dbraw/zinc/01/41/36/202014136.db2.gz CPZSPKJSSQZDIR-HNNXBMFYSA-N 1 0 306.406 2.322 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CCc2ccccc21 ZINC000048283687 354348099 /nfs/dbraw/zinc/34/80/99/354348099.db2.gz HHZMFUZFGDMLST-QGZVFWFLSA-N 1 0 317.433 2.086 10 0 DEAERO CCC[C@H](C)C[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000182657658 199471295 /nfs/dbraw/zinc/47/12/95/199471295.db2.gz BZIXIWRZEVWNKS-LBPRGKRZSA-N 1 0 304.481 2.394 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@@H]2CNc3ccnn3C2)cc1F ZINC000058305868 354590060 /nfs/dbraw/zinc/59/00/60/354590060.db2.gz MLHUHLFIVJIQHV-NWDGAFQWSA-N 1 0 304.369 2.423 10 0 DEAERO O=C(CCc1ccccc1O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000061210418 354623907 /nfs/dbraw/zinc/62/39/07/354623907.db2.gz JJAFHVCYJXFBMQ-UHFFFAOYSA-N 1 0 311.385 2.069 10 0 DEAERO CC(=O)Nc1cccc(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000072781877 354919358 /nfs/dbraw/zinc/91/93/58/354919358.db2.gz CWYDYVBUSDGKHC-UHFFFAOYSA-N 1 0 303.406 2.251 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)CCO1 ZINC000073491223 191321146 /nfs/dbraw/zinc/32/11/46/191321146.db2.gz NZANVSJSVNNVDO-CYBMUJFWSA-N 1 0 308.466 2.380 10 0 DEAERO CC[NH2+][C@](CO)(Cn1nc(C)c(Br)c1C)C1CC1 ZINC000085262382 192486255 /nfs/dbraw/zinc/48/62/55/192486255.db2.gz QQANAABQTDWVCK-ZDUSSCGKSA-N 1 0 316.243 2.013 10 0 DEAERO C[C@H]1CCC[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000075632792 191503525 /nfs/dbraw/zinc/50/35/25/191503525.db2.gz DORKMMZALZCCRW-GOEBONIOSA-N 1 0 316.449 2.142 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000401734604 540142304 /nfs/dbraw/zinc/14/23/04/540142304.db2.gz XDBBRGCICHCLKW-QMMMGPOBSA-N 1 0 300.202 2.325 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1cc(F)c(Cl)cc1F)C(F)(F)F ZINC000401748462 540142322 /nfs/dbraw/zinc/14/23/22/540142322.db2.gz WIVXNXABQNUFPZ-QMMMGPOBSA-N 1 0 302.630 2.238 10 0 DEAERO C[C@@](O)(C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1)c1ccccc1 ZINC000075827184 191520916 /nfs/dbraw/zinc/52/09/16/191520916.db2.gz KYVRMSGQXJHVEP-QFBILLFUSA-N 1 0 316.445 2.132 10 0 DEAERO CC[N@H+](CC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)C1CC1 ZINC000091761303 355608272 /nfs/dbraw/zinc/60/82/72/355608272.db2.gz ZARBIBRRZFVVPH-CZUORRHYSA-N 1 0 324.371 2.083 10 0 DEAERO C(O[C@H]1CCC[N@@H+](C2CCOCC2)C1)c1nc(C2CC2)no1 ZINC000097942598 355706437 /nfs/dbraw/zinc/70/64/37/355706437.db2.gz BYVBRCIFIBGJAN-AWEZNQCLSA-N 1 0 307.394 2.107 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108335150 355734476 /nfs/dbraw/zinc/73/44/76/355734476.db2.gz YHSPUXQSJWFZAP-MRXNPFEDSA-N 1 0 320.481 2.156 10 0 DEAERO COc1ccc2[nH]c(-c3cc(-n4ccnc4)cnc3N)nc2c1 ZINC000115190712 355766963 /nfs/dbraw/zinc/76/69/63/355766963.db2.gz ZCMBIMWGPALVPM-UHFFFAOYSA-N 1 0 306.329 2.401 10 0 DEAERO COc1ccc(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1 ZINC000106778958 355725814 /nfs/dbraw/zinc/72/58/14/355725814.db2.gz MPTPMKLNTOOSEV-IAGOWNOFSA-N 1 0 302.418 2.323 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000125818160 355813474 /nfs/dbraw/zinc/81/34/74/355813474.db2.gz DMNWLGXUEUGELX-INIZCTEOSA-N 1 0 321.465 2.146 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)CCCc2nc(C3CC3)no2)CC[N@@H+]1C ZINC000127546928 355822759 /nfs/dbraw/zinc/82/27/59/355822759.db2.gz SULTVRNJMCPGBI-OCCSQVGLSA-N 1 0 320.437 2.211 10 0 DEAERO Nc1nc(CC[C@@H]2CCC[NH2+]2)cc(-c2c[nH]c3ncccc23)n1 ZINC000147033221 355910267 /nfs/dbraw/zinc/91/02/67/355910267.db2.gz ZQJJIPDFSXEUHO-NSHDSACASA-N 1 0 308.389 2.287 10 0 DEAERO COC[C@@H]1CN(C(=O)CC2=CCCCC2)CC12CC[NH2+]CC2 ZINC000169782805 355982921 /nfs/dbraw/zinc/98/29/21/355982921.db2.gz NWTRQLNVYTZIQB-INIZCTEOSA-N 1 0 306.450 2.352 10 0 DEAERO CCC[C@H](C)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000179950931 356038255 /nfs/dbraw/zinc/03/82/55/356038255.db2.gz PDGKDZHSXSDQOT-AWEZNQCLSA-N 1 0 306.454 2.298 10 0 DEAERO CCNC(=O)NC(=O)[C@@H](C)Sc1ccc([C@H](C)[NH2+]C)cc1 ZINC000079579263 191952133 /nfs/dbraw/zinc/95/21/33/191952133.db2.gz HJQYAOWXUXFZGW-WDEREUQCSA-N 1 0 309.435 2.293 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000180829474 356062657 /nfs/dbraw/zinc/06/26/57/356062657.db2.gz VHAHTPORRIUPMI-JKSUJKDBSA-N 1 0 323.387 2.462 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000179693804 356030444 /nfs/dbraw/zinc/03/04/44/356030444.db2.gz ASKRJWORDKNNQA-YOEHRIQHSA-N 1 0 322.474 2.399 10 0 DEAERO NC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000182016173 356104984 /nfs/dbraw/zinc/10/49/84/356104984.db2.gz TWEOXFKRJUQYMW-OAHLLOKOSA-N 1 0 321.396 2.178 10 0 DEAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182032188 356105681 /nfs/dbraw/zinc/10/56/81/356105681.db2.gz ICCOIINIWKHVET-KBPBESRZSA-N 1 0 315.421 2.079 10 0 DEAERO CC(C)[C@@H](C)CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181813640 356097611 /nfs/dbraw/zinc/09/76/11/356097611.db2.gz HCUBCYFDHPJJGL-GJZGRUSLSA-N 1 0 313.486 2.013 10 0 DEAERO CCC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=[NH2+] ZINC000079817473 191976329 /nfs/dbraw/zinc/97/63/29/191976329.db2.gz NURJTNWBDXUFEF-SNVBAGLBSA-N 1 0 323.340 2.088 10 0 DEAERO Cc1nc(-c2cccc(NC(=O)N(C)CCC[NH+](C)C)c2)no1 ZINC000182956551 356153375 /nfs/dbraw/zinc/15/33/75/356153375.db2.gz AFMNVIQSLFIMSF-UHFFFAOYSA-N 1 0 317.393 2.460 10 0 DEAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000183382335 356170246 /nfs/dbraw/zinc/17/02/46/356170246.db2.gz NSXURNQRVXPMTG-OAGGEKHMSA-N 1 0 316.511 2.052 10 0 DEAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)NC(=O)NC1CC1 ZINC000198963959 356266017 /nfs/dbraw/zinc/26/60/17/356266017.db2.gz CGOCFFWYOFDOQY-UWVGGRQHSA-N 1 0 309.797 2.367 10 0 DEAERO COCC[C@@H]1CN(c2ccc(N)c(OC(C)C)c2)CC[N@@H+]1C ZINC000215976330 356272323 /nfs/dbraw/zinc/27/23/23/356272323.db2.gz DPJKFPWHNCHLDQ-OAHLLOKOSA-N 1 0 307.438 2.213 10 0 DEAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1cccc(Cl)c1 ZINC000226464725 356278815 /nfs/dbraw/zinc/27/88/15/356278815.db2.gz NKJBBDTXFCEEMH-LBPRGKRZSA-N 1 0 302.827 2.103 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226464230 356278843 /nfs/dbraw/zinc/27/88/43/356278843.db2.gz DEKZFZFURDHXJJ-ZDUSSCGKSA-N 1 0 316.854 2.411 10 0 DEAERO [NH3+]Cc1cc(OC(F)(F)F)cnc1I ZINC000238675404 356305209 /nfs/dbraw/zinc/30/52/09/356305209.db2.gz MCBBQXNKSSBISN-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO CC[C@@](C)(CO)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000080886409 192199054 /nfs/dbraw/zinc/19/90/54/192199054.db2.gz WNMPSAKVJDMSOV-ZDUSSCGKSA-N 1 0 318.211 2.414 10 0 DEAERO CC[C@](C)(CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000080897606 192199600 /nfs/dbraw/zinc/19/96/00/192199600.db2.gz HWLLOGBUKFYSMO-IINYFYTJSA-N 1 0 322.232 2.484 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(Sc2nc[nH]n2)cc1 ZINC000085364346 192495472 /nfs/dbraw/zinc/49/54/72/192495472.db2.gz HZZMEWFNOOKTCW-RYUDHWBXSA-N 1 0 303.391 2.022 10 0 DEAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000080917118 192201334 /nfs/dbraw/zinc/20/13/34/192201334.db2.gz DPMSSIPEDPRGQN-PSLIRLAXSA-N 1 0 309.797 2.285 10 0 DEAERO CC[C@H]([NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](C)O ZINC000400333618 283155665 /nfs/dbraw/zinc/15/56/65/283155665.db2.gz COCFNEWYRCLSGS-RQJABVFESA-N 1 0 300.443 2.381 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000262598374 356341922 /nfs/dbraw/zinc/34/19/22/356341922.db2.gz AIHTVLRGTKRGSK-XEZPLFJOSA-N 1 0 320.481 2.110 10 0 DEAERO C[C@H]([NH2+]CCc1cnn(C)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400328247 283155628 /nfs/dbraw/zinc/15/56/28/283155628.db2.gz CCMKKWFVLPLODB-ZFWWWQNUSA-N 1 0 322.453 2.198 10 0 DEAERO O=C(CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1)Nc1ccccc1F ZINC000081048212 192218606 /nfs/dbraw/zinc/21/86/06/192218606.db2.gz HDFHQHGHUSUEDP-ZDUSSCGKSA-N 1 0 320.286 2.153 10 0 DEAERO CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400808097 283159090 /nfs/dbraw/zinc/15/90/90/283159090.db2.gz WZXRKPQNJFPJFP-ILXRZTDVSA-N 1 0 311.470 2.458 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCCN1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400355774 283156034 /nfs/dbraw/zinc/15/60/34/283156034.db2.gz BCUFFYUZOLQBMU-RRFJBIMHSA-N 1 0 311.470 2.316 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000309547564 356410370 /nfs/dbraw/zinc/41/03/70/356410370.db2.gz CHXMIDOAVWRNLI-KRWDZBQOSA-N 1 0 304.434 2.130 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](c2cccc(I)c2)O1 ZINC000307606532 356409560 /nfs/dbraw/zinc/40/95/60/356409560.db2.gz CSXVLQXBXMGYLU-MNOVXSKESA-N 1 0 303.143 2.470 10 0 DEAERO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cnc3ccccn23)cn1 ZINC000328624847 356462569 /nfs/dbraw/zinc/46/25/69/356462569.db2.gz CQZRTHUPDXTSQF-PBHICJAKSA-N 1 0 324.388 2.018 10 0 DEAERO C[C@@H]1C[C@@H](Nc2cc(N[C@H]3CCCOC3)ncn2)C[C@H](C)O1 ZINC000328626869 356463447 /nfs/dbraw/zinc/46/34/47/356463447.db2.gz FOEYKKSPBYKWFW-CRWXNKLISA-N 1 0 306.410 2.435 10 0 DEAERO C[C@H](CNc1nnc(Br)s1)C[NH+]1CCCC1 ZINC000081664932 192308571 /nfs/dbraw/zinc/30/85/71/192308571.db2.gz HVZIUPLVIIQASR-MRVPVSSYSA-N 1 0 305.245 2.444 10 0 DEAERO CCS(=O)(=O)CC[C@@H]([NH3+])Cc1ccccc1Br ZINC000086568096 192581781 /nfs/dbraw/zinc/58/17/81/192581781.db2.gz NLBGGFYEHJREFH-LLVKDONJSA-N 1 0 320.252 2.144 10 0 DEAERO [NH3+][C@@H](Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000086566427 192582353 /nfs/dbraw/zinc/58/23/53/192582353.db2.gz FTBQFJDBSWREIH-SKDRFNHKSA-N 1 0 308.230 2.298 10 0 DEAERO CO[C@@H](C)[C@@H]([NH3+])Cc1ccc(I)cc1 ZINC000086576702 192584119 /nfs/dbraw/zinc/58/41/19/192584119.db2.gz PRAHHROQJZGPKR-KWQFWETISA-N 1 0 305.159 2.196 10 0 DEAERO Brc1sccc1C[NH2+]CCCn1cncn1 ZINC000388900044 356706669 /nfs/dbraw/zinc/70/66/69/356706669.db2.gz UPOBMDIJUJDVRQ-UHFFFAOYSA-N 1 0 301.213 2.282 10 0 DEAERO COc1ccccc1CC(=O)N1C[C@@H]([NH3+])CC[C@H]1C(F)(F)F ZINC000393357466 356713475 /nfs/dbraw/zinc/71/34/75/356713475.db2.gz WFPKCMXQMHIRBB-AAEUAGOBSA-N 1 0 316.323 2.118 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CCCC(=O)N(C)C)cc1NC(C)=O ZINC000177991928 198799755 /nfs/dbraw/zinc/79/97/55/198799755.db2.gz HFRAZHNGGVRUTM-GFCCVEGCSA-N 1 0 321.421 2.173 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1ccc2nccnc2c1 ZINC000086979771 192605134 /nfs/dbraw/zinc/60/51/34/192605134.db2.gz DRNUZGSFPXBLJW-CYBMUJFWSA-N 1 0 307.419 2.105 10 0 DEAERO CCS(=O)(=O)CCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C(C)(C)C ZINC000086982247 192606378 /nfs/dbraw/zinc/60/63/78/192606378.db2.gz LYVQPUKELWAELW-LSDHHAIUSA-N 1 0 318.527 2.156 10 0 DEAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H]2CSC2(C)C)c1 ZINC000578642550 356849787 /nfs/dbraw/zinc/84/97/87/356849787.db2.gz PUDXGCMIIOCILF-ZFWWWQNUSA-N 1 0 309.431 2.113 10 0 DEAERO C[NH2+][C@@H](c1cc(C)c(Br)s1)[C@H]1COCCO1 ZINC000087019247 192611912 /nfs/dbraw/zinc/61/19/12/192611912.db2.gz NMPHKBJXDLQHEO-PSASIEDQSA-N 1 0 306.225 2.495 10 0 DEAERO O=C(CC[C@H]1CCCO1)N(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000087209863 192629777 /nfs/dbraw/zinc/62/97/77/192629777.db2.gz IQVQQZKPYMNYHJ-GFCCVEGCSA-N 1 0 308.344 2.089 10 0 DEAERO CCC[NH2+]CCOc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000088906371 192651511 /nfs/dbraw/zinc/65/15/11/192651511.db2.gz YBWPPXGHRSSGSX-UHFFFAOYSA-N 1 0 314.451 2.096 10 0 DEAERO CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(C[NH2+]C(C)C)cn1 ZINC000088964549 192673347 /nfs/dbraw/zinc/67/33/47/192673347.db2.gz JUHNAJUAFZRVMK-CYBMUJFWSA-N 1 0 313.467 2.389 10 0 DEAERO Cc1occc1CN(C)S(=O)(=O)c1cc(C[NH3+])sc1C ZINC000088990818 192684050 /nfs/dbraw/zinc/68/40/50/192684050.db2.gz NRMSESPVSJCNCH-UHFFFAOYSA-N 1 0 314.432 2.237 10 0 DEAERO CCCCC[C@@H](C)NS(=O)(=O)c1ccc(OCC[NH3+])cc1 ZINC000088997803 192689222 /nfs/dbraw/zinc/68/92/22/192689222.db2.gz SGBBPKVNBYTZLY-CYBMUJFWSA-N 1 0 314.451 2.271 10 0 DEAERO NC(=O)N1CCC([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC1 ZINC000177948884 283297135 /nfs/dbraw/zinc/29/71/35/283297135.db2.gz FALPZDJVCLNGPY-CYBMUJFWSA-N 1 0 309.797 2.296 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(OC)c(Cl)c2)CC1 ZINC000179341753 199018501 /nfs/dbraw/zinc/01/85/01/199018501.db2.gz YGGUTRGANNFHMY-CQSZACIVSA-N 1 0 312.841 2.237 10 0 DEAERO CCN(CC)C(=O)CCC1CC[NH+](Cc2cnnn2CC)CC1 ZINC000459419075 283300940 /nfs/dbraw/zinc/30/09/40/283300940.db2.gz XCVORJSYADVWJJ-UHFFFAOYSA-N 1 0 321.469 2.159 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC2(C)OCCO2)cc1NC(C)=O ZINC000179572928 199057166 /nfs/dbraw/zinc/05/71/66/199057166.db2.gz KMXWSABAPSDBDO-NSHDSACASA-N 1 0 308.378 2.067 10 0 DEAERO CSc1ccsc1C(=O)Nc1cnn(CC[NH+](C)C)c1 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BKFAXNIFYCXCNB-IAGOWNOFSA-N 1 0 324.490 2.125 10 0 DEAERO COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1F ZINC000187402674 200107404 /nfs/dbraw/zinc/10/74/04/200107404.db2.gz NNJVTJYVQOSYJF-TZMCWYRMSA-N 1 0 308.397 2.223 10 0 DEAERO CCSc1cc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)ccn1 ZINC000188111214 200195556 /nfs/dbraw/zinc/19/55/56/200195556.db2.gz JVJIYLVHSTWQOR-CYBMUJFWSA-N 1 0 308.451 2.039 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000188164419 200202312 /nfs/dbraw/zinc/20/23/12/200202312.db2.gz HVKJFWIHTXNRDN-IAGOWNOFSA-N 1 0 321.465 2.338 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000188164392 200202464 /nfs/dbraw/zinc/20/24/64/200202464.db2.gz HVKJFWIHTXNRDN-DLBZAZTESA-N 1 0 321.465 2.338 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)Cc1ccc(F)cc1 ZINC000188220701 200210917 /nfs/dbraw/zinc/21/09/17/200210917.db2.gz FVADSUGHWRXBHF-HNNXBMFYSA-N 1 0 316.442 2.221 10 0 DEAERO CCOc1c(OC)cc(C[N@H+](C)CC2(CO)CC2)cc1OC ZINC000188956918 200327456 /nfs/dbraw/zinc/32/74/56/200327456.db2.gz MMUDXKOOWVHSNY-UHFFFAOYSA-N 1 0 309.406 2.307 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(-n2cncn2)cc1 ZINC000189315012 200380466 /nfs/dbraw/zinc/38/04/66/200380466.db2.gz BULYZUSYJDQJPZ-GWCFXTLKSA-N 1 0 314.311 2.231 10 0 DEAERO c1ccc(OCCOCC[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000441656740 238029506 /nfs/dbraw/zinc/02/95/06/238029506.db2.gz PEGYYSZMXLFEII-IRXDYDNUSA-N 1 0 305.418 2.440 10 0 DEAERO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443868119 238125922 /nfs/dbraw/zinc/12/59/22/238125922.db2.gz LKFRSTUIFDTBSN-MWDXBVQZSA-N 1 0 306.450 2.136 10 0 DEAERO COC(=O)C1CCC([NH2+]C[C@H](O)c2ccccc2OC)CC1 ZINC000192439861 200876120 /nfs/dbraw/zinc/87/61/20/200876120.db2.gz CHMAZVGCQSWNQM-PIMMBPRGSA-N 1 0 307.390 2.050 10 0 DEAERO C[NH+](C)[C@H]1CCCN(c2ncnc3c2ncn3C2CC2)CC1 ZINC000292733703 223222356 /nfs/dbraw/zinc/22/23/56/223222356.db2.gz MJYLZWJRTMIPRY-LBPRGKRZSA-N 1 0 300.410 2.082 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608597723 361236134 /nfs/dbraw/zinc/23/61/34/361236134.db2.gz AZSYQVVJLMFSEM-IJLUTSLNSA-N 1 0 308.344 2.039 10 0 DEAERO Cc1cc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c(C)[nH]1 ZINC000608612473 361240029 /nfs/dbraw/zinc/24/00/29/361240029.db2.gz MLKCGGHWVGFAFQ-UHFFFAOYSA-N 1 0 319.449 2.349 10 0 DEAERO COC(=O)CC[NH+]1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000609144613 361284475 /nfs/dbraw/zinc/28/44/75/361284475.db2.gz IWOZBRUCLIAWOX-AWEZNQCLSA-N 1 0 302.418 2.465 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)N1CCc2c(Br)cccc2C1 ZINC000193231036 201009927 /nfs/dbraw/zinc/00/99/27/201009927.db2.gz PACISVADJMPIOX-SNVBAGLBSA-N 1 0 311.223 2.461 10 0 DEAERO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)c1 ZINC000193430548 201050252 /nfs/dbraw/zinc/05/02/52/201050252.db2.gz SSBIEJXKKANGKA-MLGOLLRUSA-N 1 0 308.422 2.472 10 0 DEAERO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000193397611 201044329 /nfs/dbraw/zinc/04/43/29/201044329.db2.gz LMSGLPLAHWXPDC-QWRGUYRKSA-N 1 0 316.492 2.322 10 0 DEAERO CSC1(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CCC1 ZINC000193804399 201126646 /nfs/dbraw/zinc/12/66/46/201126646.db2.gz HUKVXLZVFSWUGS-LLVKDONJSA-N 1 0 314.476 2.270 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000194148059 201186960 /nfs/dbraw/zinc/18/69/60/201186960.db2.gz QVRFNJUYFTVMFY-ZDUSSCGKSA-N 1 0 323.824 2.187 10 0 DEAERO COC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cc(OC)nc1C)CC2 ZINC000611621934 361647239 /nfs/dbraw/zinc/64/72/39/361647239.db2.gz LAYOVOSASNVEQX-OAHLLOKOSA-N 1 0 318.417 2.482 10 0 DEAERO COCC[NH2+]C[C@@H]1CCCN1c1cc(C(F)(F)F)ccn1 ZINC000090804597 192935045 /nfs/dbraw/zinc/93/50/45/192935045.db2.gz FQHMBCWFKYUXMU-LBPRGKRZSA-N 1 0 303.328 2.305 10 0 DEAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2ccon2)C1 ZINC000195265668 201368693 /nfs/dbraw/zinc/36/86/93/201368693.db2.gz LOIKVTAJZACEAF-ZDUSSCGKSA-N 1 0 306.435 2.393 10 0 DEAERO CC1CCC(n2nnc(C[NH3+])c2I)CC1 ZINC000675051580 541285711 /nfs/dbraw/zinc/28/57/11/541285711.db2.gz OODKKIRGMHHWCC-UHFFFAOYSA-N 1 0 320.178 2.093 10 0 DEAERO COc1ccccc1C[NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000275507334 212381115 /nfs/dbraw/zinc/38/11/15/212381115.db2.gz KBAZQUREDDLXBP-DOTOQJQBSA-N 1 0 301.390 2.439 10 0 DEAERO CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CC(CC3CC3)C2)c1 ZINC000621992330 364624543 /nfs/dbraw/zinc/62/45/43/364624543.db2.gz UFNRWJWIQGPFCD-KRWDZBQOSA-N 1 0 303.402 2.361 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)NC2CC([NH+](C)C)C2)c1C(C)C ZINC000622008822 364633852 /nfs/dbraw/zinc/63/38/52/364633852.db2.gz ASIKASAICUMZLF-UHFFFAOYSA-N 1 0 305.422 2.472 10 0 DEAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CC2(F)F)cc1 ZINC000622016580 364636384 /nfs/dbraw/zinc/63/63/84/364636384.db2.gz KXGMBOUNJLCJEB-KGLIPLIRSA-N 1 0 313.344 2.264 10 0 DEAERO COC(=O)C(C)(C)N1CCN(Cc2ccc(C)cc2OC)CC1 ZINC000449256033 240257071 /nfs/dbraw/zinc/25/70/71/240257071.db2.gz BRSYTSUXYSVGQG-UHFFFAOYSA-N 1 0 320.433 2.073 10 0 DEAERO CCOc1ccc([C@@H](C)NC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000091135310 193001766 /nfs/dbraw/zinc/00/17/66/193001766.db2.gz BMTXKTMHANMIGM-TZMCWYRMSA-N 1 0 308.447 2.358 10 0 DEAERO CCn1c(C[C@@H]2C[NH2+]CCO2)nc2cc(Br)ccc21 ZINC000091293253 193032915 /nfs/dbraw/zinc/03/29/15/193032915.db2.gz BRQICKVDDXEWFS-LLVKDONJSA-N 1 0 324.222 2.350 10 0 DEAERO CSc1nc2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2s1 ZINC000091299829 193034743 /nfs/dbraw/zinc/03/47/43/193034743.db2.gz NJOJHPARIORMJV-JTQLQIEISA-N 1 0 323.443 2.335 10 0 DEAERO CCCCOCCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091261511 193027604 /nfs/dbraw/zinc/02/76/04/193027604.db2.gz LZZWHYMVLOWKKF-ZDUSSCGKSA-N 1 0 314.451 2.191 10 0 DEAERO CC(C)NC(=O)C[C@H](C[NH3+])Nc1ccc(Br)cc1 ZINC000091318933 193038731 /nfs/dbraw/zinc/03/87/31/193038731.db2.gz VBXVUXZSOXTSTC-GFCCVEGCSA-N 1 0 314.227 2.103 10 0 DEAERO O=C(CC[NH+]1CC(CO)C1)Nc1cc(Cl)ccc1Cl ZINC000091464789 193059136 /nfs/dbraw/zinc/05/91/36/193059136.db2.gz CKFZMPSJECEKEY-UHFFFAOYSA-N 1 0 303.189 2.246 10 0 DEAERO C[C@H](CN1CCOCC1)[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000091514649 193067439 /nfs/dbraw/zinc/06/74/39/193067439.db2.gz FAXZTAULZLHODW-OAHLLOKOSA-N 1 0 321.440 2.423 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)Cc1cc(Br)cs1 ZINC000091521485 193068845 /nfs/dbraw/zinc/06/88/45/193068845.db2.gz CTYKNFWOIALCPS-GFCCVEGCSA-N 1 0 322.268 2.430 10 0 DEAERO C[NH2+][C@H](CCCS(C)(=O)=O)C(C)(C)N1CCCCCC1 ZINC000091568302 193074791 /nfs/dbraw/zinc/07/47/91/193074791.db2.gz WLDYVFJKRPWXAC-CQSZACIVSA-N 1 0 304.500 2.054 10 0 DEAERO C[NH2+][C@H](Cc1csc(C)n1)C1(N2CCOCC2)CCCC1 ZINC000091643208 193083536 /nfs/dbraw/zinc/08/35/36/193083536.db2.gz JDDLWRVRVSAVHZ-OAHLLOKOSA-N 1 0 309.479 2.227 10 0 DEAERO CN(CC[NH+]1CCCC1)c1nc(Cl)ncc1Br ZINC000091659098 193085681 /nfs/dbraw/zinc/08/56/81/193085681.db2.gz ZUZBVPIRTGROIZ-UHFFFAOYSA-N 1 0 319.634 2.425 10 0 DEAERO Cc1cc(C[NH2+]C[C@H]2CN(C)CCO2)ccc1Br ZINC000091667587 193088618 /nfs/dbraw/zinc/08/86/18/193088618.db2.gz HXKXGMPLFAJNAS-ZDUSSCGKSA-N 1 0 313.239 2.178 10 0 DEAERO C[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721367 193096734 /nfs/dbraw/zinc/09/67/34/193096734.db2.gz XWLJAFJDQAYHFV-FVQBIDKESA-N 1 0 312.816 2.473 10 0 DEAERO C[NH2+][C@@H](Cc1c(Cl)cccc1Cl)[C@H]1CN(C)CCO1 ZINC000091718124 193097081 /nfs/dbraw/zinc/09/70/81/193097081.db2.gz XSPRCMQXQHEUGF-UONOGXRCSA-N 1 0 303.233 2.455 10 0 DEAERO CC[NH2+][C@H](Cc1cc(Cl)ccc1OC)[C@H]1CN(C)CCO1 ZINC000091718301 193097263 /nfs/dbraw/zinc/09/72/63/193097263.db2.gz VLEQITVDWZVVTO-GDBMZVCRSA-N 1 0 312.841 2.200 10 0 DEAERO CC[NH2+]C1CCC(N(C)S(=O)(=O)c2cccs2)CC1 ZINC000091869928 193120827 /nfs/dbraw/zinc/12/08/27/193120827.db2.gz XVVGBHGVLLCZQJ-UHFFFAOYSA-N 1 0 302.465 2.289 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000624406569 365412134 /nfs/dbraw/zinc/41/21/34/365412134.db2.gz GJSVKQSSJFWLKS-ZYHUDNBSSA-N 1 0 302.827 2.067 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000091872669 193121352 /nfs/dbraw/zinc/12/13/52/193121352.db2.gz YNOSQPCHWPOZCS-UHFFFAOYSA-N 1 0 318.389 2.116 10 0 DEAERO C[NH2+]C1CCC(NC(=O)c2cc(Br)c[nH]2)CC1 ZINC000091871846 193121432 /nfs/dbraw/zinc/12/14/32/193121432.db2.gz NBVCFYAHXKPQAM-UHFFFAOYSA-N 1 0 300.200 2.038 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000624407059 365413393 /nfs/dbraw/zinc/41/33/93/365413393.db2.gz RXINPPMTUYMPHD-MWLCHTKSSA-N 1 0 302.827 2.067 10 0 DEAERO [NH3+]CC1([C@@H](O)c2cccc(Br)c2)CCOCC1 ZINC000091910447 193124537 /nfs/dbraw/zinc/12/45/37/193124537.db2.gz BZFDIJUKNFBWKC-LBPRGKRZSA-N 1 0 300.196 2.238 10 0 DEAERO [NH3+]CC1([C@H](O)c2ccc(Br)cc2F)CCOCC1 ZINC000091911694 193124590 /nfs/dbraw/zinc/12/45/90/193124590.db2.gz YESGMCWCJRFSRI-GFCCVEGCSA-N 1 0 318.186 2.377 10 0 DEAERO CC[C@@H](C[NH3+])[C@@H](O)c1cc2c(c(Br)c1)OCO2 ZINC000091909239 193124862 /nfs/dbraw/zinc/12/48/62/193124862.db2.gz KILTXOIPFWCYTN-WRWORJQWSA-N 1 0 302.168 2.196 10 0 DEAERO CC[C@@H](C[NH3+])[C@@H](O)c1cc(OC)c(OC)cc1Br ZINC000091908929 193125006 /nfs/dbraw/zinc/12/50/06/193125006.db2.gz QBNSDBNFPZLEGL-ISVAXAHUSA-N 1 0 318.211 2.485 10 0 DEAERO C[C@H](C[NH3+])[C@H](O)c1cc(Br)c2c(c1)OCCCO2 ZINC000091913323 193125854 /nfs/dbraw/zinc/12/58/54/193125854.db2.gz JNBPWQCZOHGDOX-PELKAZGASA-N 1 0 316.195 2.239 10 0 DEAERO CN1CCO[C@@H](COc2c(Cl)cc(Cl)cc2CC[NH3+])C1 ZINC000092060604 193149830 /nfs/dbraw/zinc/14/98/30/193149830.db2.gz JWNUAGGNSODCBB-GFCCVEGCSA-N 1 0 319.232 2.204 10 0 DEAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000629587064 367264716 /nfs/dbraw/zinc/26/47/16/367264716.db2.gz XITNOEGUMKAJLY-RDJZCZTQSA-N 1 0 321.417 2.035 10 0 DEAERO O[C@@H](C[NH2+]C[C@@H]1C[C@H](O)C1)COc1c(Cl)cccc1Cl ZINC000629607912 367272216 /nfs/dbraw/zinc/27/22/16/367272216.db2.gz RVWMOXSKJBUYAX-AXFHLTTASA-N 1 0 320.216 2.094 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1-n1cccn1 ZINC000261685877 296096664 /nfs/dbraw/zinc/09/66/64/296096664.db2.gz HISDVYOBPLZUSP-IIAWOOMASA-N 1 0 312.417 2.425 10 0 DEAERO CO[C@@H]1CN(Cc2ccc(Br)cc2)[C@](C)(C[NH3+])C1 ZINC000630355842 367608364 /nfs/dbraw/zinc/60/83/64/367608364.db2.gz LOMSRWASDHOMGV-KBPBESRZSA-N 1 0 313.239 2.387 10 0 DEAERO COCC[NH2+]Cc1c(N2C[C@H](C)[C@H](C)C2)nc2sccn12 ZINC000092086541 193154806 /nfs/dbraw/zinc/15/48/06/193154806.db2.gz HMDGVSVCJFYIRQ-TXEJJXNPSA-N 1 0 308.451 2.224 10 0 DEAERO C/C=C/C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(=O)OCC ZINC000450915895 242389451 /nfs/dbraw/zinc/38/94/51/242389451.db2.gz QHNHUGPXZUMKME-ZKKXHLJNSA-N 1 0 310.438 2.121 10 0 DEAERO CCCc1nsc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000630527830 367708400 /nfs/dbraw/zinc/70/84/00/367708400.db2.gz WOBFBXVVPXQEAF-DTWKUNHWSA-N 1 0 308.373 2.454 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NC(C)(C)C)c(F)c1 ZINC000092115777 193163253 /nfs/dbraw/zinc/16/32/53/193163253.db2.gz WGPIYOILPOWJMH-UHFFFAOYSA-N 1 0 302.415 2.402 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)c(F)c1 ZINC000092115522 193163385 /nfs/dbraw/zinc/16/33/85/193163385.db2.gz ZMBQLPFQHAAMOV-UHFFFAOYSA-N 1 0 302.415 2.353 10 0 DEAERO CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116286 193163980 /nfs/dbraw/zinc/16/39/80/193163980.db2.gz CFRJWCHAVPFBBT-CYBMUJFWSA-N 1 0 300.399 2.094 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1 ZINC000528749219 283997271 /nfs/dbraw/zinc/99/72/71/283997271.db2.gz CPEQVQPPZPDDQF-FJLXXAOWSA-N 1 0 321.417 2.030 10 0 DEAERO c1c(C[NH2+]C[C@@H]2CCc3ccccc32)nnn1C[C@@H]1CCOC1 ZINC000631069104 368000238 /nfs/dbraw/zinc/00/02/38/368000238.db2.gz MGIWYHWHOPHMJM-HOCLYGCPSA-N 1 0 312.417 2.134 10 0 DEAERO c1c(C[NH2+]C[C@H]2CC3CCC2CC3)nnn1C[C@H]1CCOC1 ZINC000631166518 368056266 /nfs/dbraw/zinc/05/62/66/368056266.db2.gz VGRKCDOTKWQUOB-GYTBAZASSA-N 1 0 304.438 2.231 10 0 DEAERO c1c(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)nnn1C[C@@H]1CCOC1 ZINC000631079022 368005698 /nfs/dbraw/zinc/00/56/98/368005698.db2.gz CISAYAPZWSOGAG-JZXOWHBKSA-N 1 0 312.417 2.035 10 0 DEAERO CN(Cc1csc(Br)c1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092206987 193173999 /nfs/dbraw/zinc/17/39/99/193173999.db2.gz YWHUMJQSIXIPEE-UWVGGRQHSA-N 1 0 315.236 2.372 10 0 DEAERO Cc1cc(C)n2c(CN(C)C[C@H]3CCC[N@H+](C)C3)cnc2n1 ZINC000092253645 193180603 /nfs/dbraw/zinc/18/06/03/193180603.db2.gz BSSWVLYMFIPRRS-HNNXBMFYSA-N 1 0 301.438 2.120 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCCCC[C@@H]([NH3+])C1 ZINC000631831878 368409648 /nfs/dbraw/zinc/40/96/48/368409648.db2.gz RQRWBDCZAWUGGU-QGZVFWFLSA-N 1 0 303.450 2.238 10 0 DEAERO c1ccc(Cc2noc(CN3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886515 368442158 /nfs/dbraw/zinc/44/21/58/368442158.db2.gz IHGJKQMTGISAOU-CVEARBPZSA-N 1 0 312.417 2.234 10 0 DEAERO Cc1csc(NC(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)n1 ZINC000451600540 243183204 /nfs/dbraw/zinc/18/32/04/243183204.db2.gz SDMUHQRJEZMXLA-OCCSQVGLSA-N 1 0 313.467 2.269 10 0 DEAERO COCC[C@H]([NH2+]C[C@@H](O)COC)c1cccc(C(F)(F)F)c1 ZINC000451695498 243313984 /nfs/dbraw/zinc/31/39/84/243313984.db2.gz QGCDZGRMIQWRKK-KGLIPLIRSA-N 1 0 321.339 2.380 10 0 DEAERO C[N@H+](C[C@@H]1Cc2cc(Br)ccc2O1)CC(C)(C)O ZINC000092970991 193190399 /nfs/dbraw/zinc/19/03/99/193190399.db2.gz DUZJPOPOIYTLEJ-LBPRGKRZSA-N 1 0 314.223 2.455 10 0 DEAERO O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1[nH]nc2c1C[NH2+]CC2 ZINC000188418847 284105361 /nfs/dbraw/zinc/10/53/61/284105361.db2.gz KNMKFHBBBNRVTG-CYBMUJFWSA-N 1 0 316.792 2.126 10 0 DEAERO COCC[NH2+]C[C@H](CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000093148263 193208198 /nfs/dbraw/zinc/20/81/98/193208198.db2.gz BPMCEDOMWFGIHC-ZDUSSCGKSA-N 1 0 319.854 2.094 10 0 DEAERO CS(=O)(=O)CCC[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000093151681 193208377 /nfs/dbraw/zinc/20/83/77/193208377.db2.gz YIUQFTCNSKRQCT-NSHDSACASA-N 1 0 320.252 2.316 10 0 DEAERO [NH3+]C[C@@H](c1cccc(F)c1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000093164847 193209673 /nfs/dbraw/zinc/20/96/73/193209673.db2.gz JMNWZDBNDWIQPF-LSDHHAIUSA-N 1 0 305.374 2.439 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2coc(Br)c2)C1 ZINC000262321624 203261767 /nfs/dbraw/zinc/26/17/67/203261767.db2.gz RQGMBJCGPOITDA-IUCAKERBSA-N 1 0 301.184 2.242 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N2CCC(Oc3ccccc3)CC2)CC[NH2+]1 ZINC000262324410 203263383 /nfs/dbraw/zinc/26/33/83/203263383.db2.gz DFTPYQQHKGXRPE-GJZGRUSLSA-N 1 0 302.418 2.445 10 0 DEAERO Cc1cc(C)cc(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)c1 ZINC000262464324 203302180 /nfs/dbraw/zinc/30/21/80/203302180.db2.gz WCXPURCZNJMNRN-UHFFFAOYSA-N 1 0 313.405 2.151 10 0 DEAERO CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@@H]([NH3+])CCSC ZINC000262533161 203322219 /nfs/dbraw/zinc/32/22/19/203322219.db2.gz IZEMRRYVZWDNCW-BPNCWPANSA-N 1 0 314.426 2.098 10 0 DEAERO CC(C)NS(=O)(=O)c1ccc(O[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093219633 193218139 /nfs/dbraw/zinc/21/81/39/193218139.db2.gz FUSRGNOCYYDSRJ-GXTWGEPZSA-N 1 0 312.435 2.022 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1O[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000093219731 193218556 /nfs/dbraw/zinc/21/85/56/193218556.db2.gz POPOXSLJIKUPJD-CHWSQXEVSA-N 1 0 312.435 2.022 10 0 DEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1cc(C[NH3+])n(CC)c1 ZINC000093265852 193222726 /nfs/dbraw/zinc/22/27/26/193222726.db2.gz LVBSCXFFZFNFDP-LBPRGKRZSA-N 1 0 301.456 2.023 10 0 DEAERO CCC(CC)N(CC(C)C)S(=O)(=O)c1cc(C[NH3+])n(C)c1 ZINC000093326645 193233587 /nfs/dbraw/zinc/23/35/87/193233587.db2.gz KDKHWYCRFFHAQW-UHFFFAOYSA-N 1 0 315.483 2.319 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(c2ncc(N)cc2Br)C1 ZINC000093433139 193250601 /nfs/dbraw/zinc/25/06/01/193250601.db2.gz YZOUOMKSIVSPIF-LLVKDONJSA-N 1 0 313.243 2.347 10 0 DEAERO CS(=O)(=O)c1ccccc1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093452119 193253606 /nfs/dbraw/zinc/25/36/06/193253606.db2.gz CWZYLAMXDNGNDF-HZSPNIEDSA-N 1 0 308.447 2.423 10 0 DEAERO C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1cccc(S(N)(=O)=O)c1 ZINC000093495931 193259124 /nfs/dbraw/zinc/25/91/24/193259124.db2.gz GDKMWYPJRMVVAP-OLZOCXBDSA-N 1 0 311.451 2.057 10 0 DEAERO COc1ccccc1C1CC([NH2+]CC(C)(C)S(C)(=O)=O)C1 ZINC000093520444 193262936 /nfs/dbraw/zinc/26/29/36/193262936.db2.gz LYUCUSAQUWRNFG-UHFFFAOYSA-N 1 0 311.447 2.354 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCn1cc(Cl)c(C)n1 ZINC000093616031 193275170 /nfs/dbraw/zinc/27/51/70/193275170.db2.gz RZBCYTFCPUPKFB-WFASDCNBSA-N 1 0 312.845 2.259 10 0 DEAERO Cc1nn(CC[C@H]2CCC[C@]2([NH3+])CO)c(C)c1Br ZINC000093618426 193275604 /nfs/dbraw/zinc/27/56/04/193275604.db2.gz LQORMUBSQPUTQC-YPMHNXCESA-N 1 0 316.243 2.142 10 0 DEAERO CCc1nn(CC)c(C[C@@H]([NH2+]C)[C@@H](C)OC)c1Br ZINC000093690325 193289226 /nfs/dbraw/zinc/28/92/26/193289226.db2.gz DMBDYCIQOLYNIL-MWLCHTKSSA-N 1 0 318.259 2.393 10 0 DEAERO CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696537 193292158 /nfs/dbraw/zinc/29/21/58/193292158.db2.gz MZBOMCFCQSEVFB-HUUCEWRRSA-N 1 0 304.500 2.462 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC000093696404 193292194 /nfs/dbraw/zinc/29/21/94/193292194.db2.gz JSJQIQARJPFNEF-HNNXBMFYSA-N 1 0 302.484 2.218 10 0 DEAERO CC[NH2+][C@@H]1CCCC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698037 193292538 /nfs/dbraw/zinc/29/25/38/193292538.db2.gz SQTHHAJTIZNFLO-RRFJBIMHSA-N 1 0 302.484 2.216 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000093700274 193293906 /nfs/dbraw/zinc/29/39/06/193293906.db2.gz ULEBUHQJMRRBLH-SWLSCSKDSA-N 1 0 314.426 2.148 10 0 DEAERO CCC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093700034 193294372 /nfs/dbraw/zinc/29/43/72/193294372.db2.gz HOSGGTAMFROPLR-ZIAGYGMSSA-N 1 0 304.500 2.462 10 0 DEAERO CCC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCC1 ZINC000093700395 193294417 /nfs/dbraw/zinc/29/44/17/193294417.db2.gz AQQSJTUFBFESEH-ZFWWWQNUSA-N 1 0 302.484 2.216 10 0 DEAERO CCC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1C[C@@H]1C ZINC000093700658 193294884 /nfs/dbraw/zinc/29/48/84/193294884.db2.gz FUUBUOZAZMUWFI-BYNSBNAKSA-N 1 0 302.484 2.072 10 0 DEAERO CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@H]([N@H+](CC)CCOCC)C1 ZINC000093755074 193300781 /nfs/dbraw/zinc/30/07/81/193300781.db2.gz HVZBWJRDHFOUOS-HOCLYGCPSA-N 1 0 300.443 2.110 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(Cc2cnc3nc(C)cc(C)n23)C1 ZINC000093770329 193302590 /nfs/dbraw/zinc/30/25/90/193302590.db2.gz ASNNWBPEVWKWJA-HNNXBMFYSA-N 1 0 301.438 2.120 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2nnc(C)s2)C1 ZINC000093778388 193305982 /nfs/dbraw/zinc/30/59/82/193305982.db2.gz YSAUQEUHGBBYQZ-GXFFZTMASA-N 1 0 314.480 2.105 10 0 DEAERO Cc1ccc2[nH]c(S[C@H]3CCC[C@@]([NH3+])(C(N)=O)C3)nc2c1 ZINC000093779495 193306331 /nfs/dbraw/zinc/30/63/31/193306331.db2.gz JYPRALNDSKZNAM-BONVTDFDSA-N 1 0 304.419 2.089 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H](SC2CCOCC2)C1 ZINC000093779684 193306688 /nfs/dbraw/zinc/30/66/88/193306688.db2.gz FLTLHMLJVICCCK-DZGCQCFKSA-N 1 0 300.468 2.065 10 0 DEAERO C[NH2+][C@H](Cc1cc(F)cc(Br)c1)C(OC)OC ZINC000094000796 193337943 /nfs/dbraw/zinc/33/79/43/193337943.db2.gz OKNGBJKYAGOXJT-LLVKDONJSA-N 1 0 306.175 2.338 10 0 DEAERO OC[C@]1([NH2+]C2CC2)CC[C@@H](N2CCC(C(F)(F)F)CC2)C1 ZINC000093857506 193319770 /nfs/dbraw/zinc/31/97/70/193319770.db2.gz QEXPFDGUEVTWMZ-KGLIPLIRSA-N 1 0 306.372 2.296 10 0 DEAERO CCOC(=O)[C@@]1([NH3+])CC[C@@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093854148 193320102 /nfs/dbraw/zinc/32/01/02/193320102.db2.gz YVFFBVLGADLEAU-IUODEOHRSA-N 1 0 309.435 2.307 10 0 DEAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000094023789 193339014 /nfs/dbraw/zinc/33/90/14/193339014.db2.gz CULXHGQDYITHFA-UHFFFAOYSA-N 1 0 320.817 2.099 10 0 DEAERO C[NH2+][C@H](Cc1cc(Cl)ccc1Cl)[C@@H]1CN(C)CCN1C ZINC000093894556 193324550 /nfs/dbraw/zinc/32/45/50/193324550.db2.gz RSHWNBYEFZRBDZ-CABCVRRESA-N 1 0 316.276 2.370 10 0 DEAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@H]3CN(C)CCN3C)sc21 ZINC000093896235 193325508 /nfs/dbraw/zinc/32/55/08/193325508.db2.gz HHWXGFIHIZMPHD-DGCLKSJQSA-N 1 0 308.495 2.294 10 0 DEAERO CCC[NH2+][C@H](c1cc(Cl)cnc1N)[C@H]1CN(CC)CCO1 ZINC000093915260 193328003 /nfs/dbraw/zinc/32/80/03/193328003.db2.gz XJACFGXMCJZDGD-ZIAGYGMSSA-N 1 0 312.845 2.079 10 0 DEAERO CCc1ccc(S(=O)(=O)N(CC)CC2CC[NH2+]CC2)cc1 ZINC000094023849 193339164 /nfs/dbraw/zinc/33/91/64/193339164.db2.gz JUMCHAILQSLDIC-UHFFFAOYSA-N 1 0 310.463 2.259 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(C)CCS(C)(=O)=O ZINC000094297314 193357044 /nfs/dbraw/zinc/35/70/44/193357044.db2.gz MDQQKFJOMJUFGX-SKDRFNHKSA-N 1 0 324.899 2.156 10 0 DEAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1CN(C)CCS(C)(=O)=O ZINC000094300345 193357976 /nfs/dbraw/zinc/35/79/76/193357976.db2.gz VQOIWJLWDFHRFD-BZUAXINKSA-N 1 0 318.527 2.013 10 0 DEAERO C[N@H+](CCNc1nc(C(F)(F)F)ccc1C(N)=S)C1CC1 ZINC000094336173 193361009 /nfs/dbraw/zinc/36/10/09/193361009.db2.gz UUJODGNSZGTPGG-UHFFFAOYSA-N 1 0 318.368 2.241 10 0 DEAERO CC(C)[NH2+]Cc1cc(F)c(OCCC(=O)N(C)C)c(F)c1 ZINC000094347419 193363688 /nfs/dbraw/zinc/36/36/88/193363688.db2.gz MPXLFBVVLGVCLF-UHFFFAOYSA-N 1 0 300.349 2.320 10 0 DEAERO COCC[NH2+]C[C@H]1CCCCN1c1ncc(Cl)cc1F ZINC000094053906 193341580 /nfs/dbraw/zinc/34/15/80/193341580.db2.gz HQXHUJHLVHZLEJ-GFCCVEGCSA-N 1 0 301.793 2.469 10 0 DEAERO CC[C@H]([NH3+])[C@@](O)(Cc1nc2ccccc2n1C)C(F)(F)F ZINC000094167407 193347440 /nfs/dbraw/zinc/34/74/40/193347440.db2.gz XUJVLDWRQBICAF-AAEUAGOBSA-N 1 0 301.312 2.147 10 0 DEAERO CC[C@](C)([NH3+])C(=O)NCc1cc(F)ccc1Br ZINC000094235828 193353928 /nfs/dbraw/zinc/35/39/28/193353928.db2.gz YXAIUVMTFVTVNK-LBPRGKRZSA-N 1 0 303.175 2.332 10 0 DEAERO [NH3+]Cc1ccc(OCCS(=O)(=O)c2cccc(F)c2)cc1 ZINC000094627228 193385581 /nfs/dbraw/zinc/38/55/81/193385581.db2.gz XROJNYOXMAZJGB-UHFFFAOYSA-N 1 0 309.362 2.137 10 0 DEAERO CCC(CC)([C@H]([NH3+])[C@H]1CCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC000094642920 193388666 /nfs/dbraw/zinc/38/86/66/193388666.db2.gz VUNXUHMKIOWETM-MELADBBJSA-N 1 0 304.500 2.038 10 0 DEAERO CCC[NH2+][C@H](c1cnn(C)c1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642578 193388817 /nfs/dbraw/zinc/38/88/17/193388817.db2.gz SERGDGIFUJELMD-QEJZJMRPSA-N 1 0 313.467 2.064 10 0 DEAERO COc1cc(Br)c([C@@H](O)[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000094649990 193390645 /nfs/dbraw/zinc/39/06/45/193390645.db2.gz DLCWPBSKHNCVMW-GWCFXTLKSA-N 1 0 316.195 2.252 10 0 DEAERO C[NH2+]C[C@@H](C)CN1c2ccc(C(F)(F)F)cc2C(=O)C1=O ZINC000094658018 193390811 /nfs/dbraw/zinc/39/08/11/193390811.db2.gz WIFQFXJBOSLINC-MRVPVSSYSA-N 1 0 300.280 2.090 10 0 DEAERO NC(=S)C[N@H+](C1CCCC1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094376149 193367202 /nfs/dbraw/zinc/36/72/02/193367202.db2.gz AQKWFGSTTFUFJS-AWEZNQCLSA-N 1 0 312.479 2.245 10 0 DEAERO COCC[N@H+](CCC(N)=S)[C@@H]1CCOC2(CCCC2)C1 ZINC000094376036 193367238 /nfs/dbraw/zinc/36/72/38/193367238.db2.gz YDHDVLCWDOWSFL-CYBMUJFWSA-N 1 0 300.468 2.103 10 0 DEAERO CC(C)C[NH2+]Cc1cn([C@H]2CCO[C@]3(CCSC3)C2)nn1 ZINC000094419119 193368398 /nfs/dbraw/zinc/36/83/98/193368398.db2.gz AKJCFJCJPAVLMJ-LSDHHAIUSA-N 1 0 310.467 2.251 10 0 DEAERO C[C@@H]1SCCC[C@]1(C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000094478703 193372661 /nfs/dbraw/zinc/37/26/61/193372661.db2.gz UBXRGRXQYZZDBZ-DOTOQJQBSA-N 1 0 305.491 2.422 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNc1nc(Br)cn2ccnc12 ZINC000094486813 193373011 /nfs/dbraw/zinc/37/30/11/193373011.db2.gz OGLCVXZPDGPPTP-SNVBAGLBSA-N 1 0 324.226 2.388 10 0 DEAERO CC[NH2+][C@H](Cc1ncnn1C(C)C)[C@H]1CSCCS1 ZINC000094497990 193374358 /nfs/dbraw/zinc/37/43/58/193374358.db2.gz ORKAFVXGKRSVOF-VXGBXAGGSA-N 1 0 300.497 2.228 10 0 DEAERO C[NH2+][C@H](Cc1cc(Cl)ccc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094509178 193375184 /nfs/dbraw/zinc/37/51/84/193375184.db2.gz CQXMTVLGRBLTPW-CABCVRRESA-N 1 0 314.260 2.124 10 0 DEAERO CCC[NH2+][C@@H]1CCCc2sc([C@@H]3CN4CCN3CC4)nc21 ZINC000094511096 193375755 /nfs/dbraw/zinc/37/57/55/193375755.db2.gz CJNANCRKOWUXQC-OLZOCXBDSA-N 1 0 306.479 2.192 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000094550196 193378957 /nfs/dbraw/zinc/37/89/57/193378957.db2.gz RWMKUYTZAVLHPS-ZJUUUORDSA-N 1 0 322.352 2.063 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094567730 193380704 /nfs/dbraw/zinc/38/07/04/193380704.db2.gz GVLMIKFKGAEHMQ-MWLCHTKSSA-N 1 0 302.827 2.256 10 0 DEAERO O=C(c1cc(C(F)(F)F)ccc1F)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000094595635 193381616 /nfs/dbraw/zinc/38/16/16/193381616.db2.gz VFCXKYLYXVUIOW-QPUJVOFHSA-N 1 0 302.271 2.278 10 0 DEAERO CCN(c1nc2ccc(Br)cn2n1)[C@H]1CCC[NH2+]C1 ZINC000094608215 193384352 /nfs/dbraw/zinc/38/43/52/193384352.db2.gz UWTUQNWUGCZDHF-NSHDSACASA-N 1 0 324.226 2.070 10 0 DEAERO CC(C)C[C@H](C[NH3+])Nc1nc2c(Br)cccn2n1 ZINC000094608303 193384466 /nfs/dbraw/zinc/38/44/66/193384466.db2.gz VKZAEMKTVVQQEF-SECBINFHSA-N 1 0 312.215 2.277 10 0 DEAERO C[NH2+]C1CCC(Nc2nc3ccc(Br)cn3n2)CC1 ZINC000094609179 193384479 /nfs/dbraw/zinc/38/44/79/193384479.db2.gz CRRGGZAIOKXRCL-UHFFFAOYSA-N 1 0 324.226 2.434 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1c1nc2ccc(Br)cn2n1 ZINC000094607919 193384498 /nfs/dbraw/zinc/38/44/98/193384498.db2.gz GOEDRDZCOHUDFS-LLVKDONJSA-N 1 0 324.226 2.070 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1nc2ccc(Br)cn2n1 ZINC000094608798 193384758 /nfs/dbraw/zinc/38/47/58/193384758.db2.gz CQYKEAVVYJVRKB-WCBMZHEXSA-N 1 0 310.199 2.031 10 0 DEAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1O[C@@H]1CCS(=O)(=O)C1 ZINC000094620463 193385158 /nfs/dbraw/zinc/38/51/58/193385158.db2.gz MTPOFSXQGAWRTM-WCQYABFASA-N 1 0 315.410 2.452 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1c(F)cc(Br)cc1F ZINC000094716973 193393833 /nfs/dbraw/zinc/39/38/33/193393833.db2.gz DMUIQHXJWXRMEA-NXEZZACHSA-N 1 0 319.149 2.337 10 0 DEAERO NC(=O)c1ccc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1Cl ZINC000094750867 193395697 /nfs/dbraw/zinc/39/56/97/193395697.db2.gz HGIOYZUNKPFQIN-YPMHNXCESA-N 1 0 309.797 2.285 10 0 DEAERO C[NH2+][C@H](C)c1cc(F)c(C)cc1Sc1nc(N)cc(=O)[nH]1 ZINC000094768437 193396363 /nfs/dbraw/zinc/39/63/63/193396363.db2.gz SETRSYCCYNRYDJ-MRVPVSSYSA-N 1 0 308.382 2.231 10 0 DEAERO CC[NH2+]Cc1ccc(F)c(S(=O)(=O)N2CCC(C)(C)C2)c1 ZINC000094814987 193399925 /nfs/dbraw/zinc/39/99/25/193399925.db2.gz VCTZKPMFOSRBAI-UHFFFAOYSA-N 1 0 314.426 2.356 10 0 DEAERO CCOCCC[N@@H+]1CC[C@@H](NCc2cnc(CC)o2)[C@H](C)C1 ZINC000453391950 245115677 /nfs/dbraw/zinc/11/56/77/245115677.db2.gz QYDDYPNIDKSBEP-GDBMZVCRSA-N 1 0 309.454 2.464 10 0 DEAERO COc1cccc([C@H]2C[C@H](O)C[N@@H+]2Cc2nc(C)ccc2O)c1 ZINC000282689018 217178027 /nfs/dbraw/zinc/17/80/27/217178027.db2.gz IVMZNUVHMIMZEA-WMLDXEAASA-N 1 0 314.385 2.412 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])[C@H]2CCSC2)c1Br ZINC000097240507 193697156 /nfs/dbraw/zinc/69/71/56/193697156.db2.gz XINPMARHDQKKSK-IUCAKERBSA-N 1 0 318.284 2.368 10 0 DEAERO CCCOCC[C@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000097278736 193703328 /nfs/dbraw/zinc/70/33/28/193703328.db2.gz ZGJKHUXIQFMOCT-JTQLQIEISA-N 1 0 304.232 2.178 10 0 DEAERO CN(C)c1cccc([C@H]([NH3+])[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000097312810 193706986 /nfs/dbraw/zinc/70/69/86/193706986.db2.gz KBFRZMXTHHNRIE-BPUTZDHNSA-N 1 0 310.463 2.356 10 0 DEAERO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000019981995 182173008 /nfs/dbraw/zinc/17/30/08/182173008.db2.gz SBMNLRPKZMUEIL-GFCCVEGCSA-N 1 0 305.447 2.381 10 0 DEAERO CCOc1nc(N[C@@H]2CCCc3sccc32)nc(NN)[nH+]1 ZINC000160066986 197383209 /nfs/dbraw/zinc/38/32/09/197383209.db2.gz YBBOGCYLVDLSNW-SECBINFHSA-N 1 0 306.395 2.107 10 0 DEAERO CO[C@@]1(C[NH2+]Cc2ccc(O)c(Br)c2)CCOC1 ZINC000160104652 197385975 /nfs/dbraw/zinc/38/59/75/197385975.db2.gz JLBXCCIODOKNOV-CYBMUJFWSA-N 1 0 316.195 2.050 10 0 DEAERO C[NH2+][C@H](c1c(Br)cnn1CCOC)C1CCC1 ZINC000159979549 197378051 /nfs/dbraw/zinc/37/80/51/197378051.db2.gz BNQPAVGJTDHCTB-NSHDSACASA-N 1 0 302.216 2.353 10 0 DEAERO Cc1ccc(COc2cccc(CNCC[NH2+]CCO)c2)cc1 ZINC000020874510 182251643 /nfs/dbraw/zinc/25/16/43/182251643.db2.gz NYBWAKVTFFPZNP-UHFFFAOYSA-N 1 0 314.429 2.246 10 0 DEAERO Cc1ccc([C@@H](C[NH3+])N2CCN(c3nccs3)CC2)cc1 ZINC000021046841 182263511 /nfs/dbraw/zinc/26/35/11/182263511.db2.gz UDYPSSPFWUEXME-OAHLLOKOSA-N 1 0 302.447 2.274 10 0 DEAERO CCNC(=O)[C@@H]1C[C@H]([NH2+]C(C)C)CN1Cc1ccc(Cl)cc1 ZINC000023362936 182358631 /nfs/dbraw/zinc/35/86/31/182358631.db2.gz KGNZVNCRAKVPQR-HOTGVXAUSA-N 1 0 323.868 2.417 10 0 DEAERO Cc1cc(NC(=O)NC[C@@H]2C[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000531189471 284524222 /nfs/dbraw/zinc/52/42/22/284524222.db2.gz BIJKJYCUYYOEDY-AAEUAGOBSA-N 1 0 305.426 2.236 10 0 DEAERO O=C(c1ccc2c(c1)OCCCO2)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186498285 296236611 /nfs/dbraw/zinc/23/66/11/296236611.db2.gz SKWJHVMTHJOEHK-AWEZNQCLSA-N 1 0 316.401 2.205 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCc2ccc(OC)nc2)CC1 ZINC000157702265 291633210 /nfs/dbraw/zinc/63/32/10/291633210.db2.gz XWQNJOCKMXHEQL-UHFFFAOYSA-N 1 0 320.437 2.011 10 0 DEAERO CC(C)N(C)C(=O)C[NH2+]Cc1ccc(Br)s1 ZINC000038018660 182965657 /nfs/dbraw/zinc/96/56/57/182965657.db2.gz MAKCRTSERCBCJM-UHFFFAOYSA-N 1 0 305.241 2.467 10 0 DEAERO C[C@H](NC(=O)[C@H]1CCCN1C1CC[NH2+]CC1)c1cccs1 ZINC000038043147 182978785 /nfs/dbraw/zinc/97/87/85/182978785.db2.gz LXTNIBJESDZUJV-GXTWGEPZSA-N 1 0 307.463 2.142 10 0 DEAERO COc1cc([C@@H](C[NH3+])N2CCC(C)CC2)cc(OC)c1OC ZINC000039789182 183021490 /nfs/dbraw/zinc/02/14/90/183021490.db2.gz CWMXAWQKDZVRLX-CQSZACIVSA-N 1 0 308.422 2.444 10 0 DEAERO C[C@@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2N)C[C@H](C)O1 ZINC000040162699 183041861 /nfs/dbraw/zinc/04/18/61/183041861.db2.gz IHHBDNKOSCXMKO-PHIMTYICSA-N 1 0 311.813 2.360 10 0 DEAERO CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CCC[NH2+]1)CCC2 ZINC000040429184 183066224 /nfs/dbraw/zinc/06/62/24/183066224.db2.gz JECRPSYAZVGBLQ-JTQLQIEISA-N 1 0 308.403 2.104 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634681 183112798 /nfs/dbraw/zinc/11/27/98/183112798.db2.gz POHFPGXSGYDZFE-KOLCDFICSA-N 1 0 302.827 2.127 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccccc2SC(F)F)C1 ZINC000040630047 183110677 /nfs/dbraw/zinc/11/06/77/183110677.db2.gz LJDFRKVEAYARSX-WPRPVWTQSA-N 1 0 302.346 2.317 10 0 DEAERO COC(=O)c1sc2ccccc2c1NC(=O)[C@H]1CCC[NH2+]1 ZINC000040833320 183139611 /nfs/dbraw/zinc/13/96/11/183139611.db2.gz XQUCIMVPTROKNP-SNVBAGLBSA-N 1 0 304.371 2.378 10 0 DEAERO C[C@@H]1CC[N@H+](CCCC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000040718256 183123447 /nfs/dbraw/zinc/12/34/47/183123447.db2.gz WOOGJEZGPUPOFQ-GFCCVEGCSA-N 1 0 305.447 2.381 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040741029 183128395 /nfs/dbraw/zinc/12/83/95/183128395.db2.gz QUSIJQBOKIJTLT-FOSCPWQOSA-N 1 0 314.838 2.210 10 0 DEAERO COC(=O)[C@H](C)C[NH2+]Cc1cc(Br)ccc1F ZINC000041069411 183162626 /nfs/dbraw/zinc/16/26/26/183162626.db2.gz QFDZDXNTBKLTQR-MRVPVSSYSA-N 1 0 304.159 2.487 10 0 DEAERO CCOC(=O)COC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000041071956 183163460 /nfs/dbraw/zinc/16/34/60/183163460.db2.gz KTRRGLCZNCBKFQ-NSHDSACASA-N 1 0 302.168 2.029 10 0 DEAERO [NH3+][C@@H]1CCCC[C@@H]1N1C(=O)c2ccc(Br)cc2C1=O ZINC000041158130 183179059 /nfs/dbraw/zinc/17/90/59/183179059.db2.gz DTDOATFAYNHSLJ-NEPJUHHUSA-N 1 0 323.190 2.315 10 0 DEAERO O=C(NCCCC[N@@H+]1CCc2ccccc2C1)c1cnccn1 ZINC000041565775 183203776 /nfs/dbraw/zinc/20/37/76/183203776.db2.gz UHAPBBNVBWFRIS-UHFFFAOYSA-N 1 0 310.401 2.045 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(C)cc(C)c1 ZINC000041604498 183209340 /nfs/dbraw/zinc/20/93/40/183209340.db2.gz OITHWCHMHUUQIY-AWEZNQCLSA-N 1 0 305.422 2.088 10 0 DEAERO OC[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(Br)cs1 ZINC000041678620 183216046 /nfs/dbraw/zinc/21/60/46/183216046.db2.gz PBOSYOJBHUIVMQ-VHSXEESVSA-N 1 0 306.225 2.313 10 0 DEAERO CNc1ccc(S(=O)(=O)NCCCC[N@H+](C)C(C)C)cc1 ZINC000041681864 183216879 /nfs/dbraw/zinc/21/68/79/183216879.db2.gz HAAIOCGIAQKYMN-UHFFFAOYSA-N 1 0 313.467 2.127 10 0 DEAERO COCC[NH2+]CCN(C)Cc1cc(Br)ccc1F ZINC000042427893 183269244 /nfs/dbraw/zinc/26/92/44/183269244.db2.gz RKCGUXRTNVUGQI-UHFFFAOYSA-N 1 0 319.218 2.256 10 0 DEAERO COCCN(C)[C@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000042458586 183272853 /nfs/dbraw/zinc/27/28/53/183272853.db2.gz PYYFHZMBGBTBCC-GFCCVEGCSA-N 1 0 317.227 2.036 10 0 DEAERO CN(Cc1cc(Br)cs1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042398501 183264227 /nfs/dbraw/zinc/26/42/27/183264227.db2.gz NPOOMGCFUIFYIE-BXKDBHETSA-N 1 0 319.268 2.306 10 0 DEAERO COCCN([C@@H](C[NH3+])c1c(F)cccc1Cl)[C@@H](C)COC ZINC000042603299 183290253 /nfs/dbraw/zinc/29/02/53/183290253.db2.gz JJILAJRHQRQQFB-FZMZJTMJSA-N 1 0 318.820 2.462 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000042611498 183291464 /nfs/dbraw/zinc/29/14/64/183291464.db2.gz XQIZHNFVADAVNR-PWSUYJOCSA-N 1 0 302.465 2.406 10 0 DEAERO COc1ccc([C@@H](C[NH3+])N(C)Cc2cscn2)c(OC)c1 ZINC000042863880 183314950 /nfs/dbraw/zinc/31/49/50/183314950.db2.gz IBIUFEKUQLVUCX-CQSZACIVSA-N 1 0 307.419 2.292 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCC[C@@H]1C(=O)N(C)C ZINC000043051533 183333122 /nfs/dbraw/zinc/33/31/22/183333122.db2.gz LGQYOMVDLCXDMW-KCPJHIHWSA-N 1 0 309.841 2.281 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCS(=O)CC1 ZINC000042946274 183319635 /nfs/dbraw/zinc/31/96/35/183319635.db2.gz CMQUNTJDBMDQFW-UONOGXRCSA-N 1 0 300.855 2.183 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)NC1CC1 ZINC000042945174 183320017 /nfs/dbraw/zinc/32/00/17/183320017.db2.gz WPAXAGKPHJSHCY-GOEBONIOSA-N 1 0 309.841 2.329 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1C ZINC000043041987 183331956 /nfs/dbraw/zinc/33/19/56/183331956.db2.gz MSBZIEOPCJLJSV-SMDDNHRTSA-N 1 0 304.419 2.231 10 0 DEAERO CCCN(CC(F)(F)F)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000042768589 183307192 /nfs/dbraw/zinc/30/71/92/183307192.db2.gz RVDPTOVQCHINIM-UHFFFAOYSA-N 1 0 324.368 2.249 10 0 DEAERO Cc1cc(C)c(C(N)=S)c(N(CC[NH+](C)C)CC(C)C)n1 ZINC000042781015 183308285 /nfs/dbraw/zinc/30/82/85/183308285.db2.gz PZOYMENBELCBLP-UHFFFAOYSA-N 1 0 308.495 2.357 10 0 DEAERO C[C@@H](N(C)S(=O)(=O)c1ccc(CC[NH3+])s1)C(C)(C)C ZINC000042782308 183308347 /nfs/dbraw/zinc/30/83/47/183308347.db2.gz XRTWRLJYYQTZOP-SNVBAGLBSA-N 1 0 304.481 2.304 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)N(C)CC(=O)N1CCCC1 ZINC000043242119 183346876 /nfs/dbraw/zinc/34/68/76/183346876.db2.gz HLWJVIBSENESCM-CJNGLKHVSA-N 1 0 309.479 2.389 10 0 DEAERO COc1cc(NC(=O)c2csc([C@H](C)N)n2)cc(OC)c1 ZINC000043250314 183346950 /nfs/dbraw/zinc/34/69/50/183346950.db2.gz KUSQPGOYUSHCKD-QMMMGPOBSA-N 1 0 307.375 2.432 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCC(CC(N)=O)CC1 ZINC000043253805 183348284 /nfs/dbraw/zinc/34/82/84/183348284.db2.gz JGILHOOHGFCPBL-OTYXRUKQSA-N 1 0 315.870 2.377 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CCN(C)CC1 ZINC000043284393 183350579 /nfs/dbraw/zinc/35/05/79/183350579.db2.gz UVZPUVAQXAQHLZ-CABZTGNLSA-N 1 0 318.284 2.146 10 0 DEAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043301285 183352179 /nfs/dbraw/zinc/35/21/79/183352179.db2.gz GWHAAWVRHCIKAB-QMTHXVAHSA-N 1 0 303.374 2.440 10 0 DEAERO [NH3+][C@@H](c1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300031 183352185 /nfs/dbraw/zinc/35/21/85/183352185.db2.gz SVRHDCGOYUVTHM-ONGXEEELSA-N 1 0 309.309 2.020 10 0 DEAERO CC[NH2+][C@H](c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300892 183352656 /nfs/dbraw/zinc/35/26/56/183352656.db2.gz GOEBGGAWXCKOKE-WCQYABFASA-N 1 0 319.373 2.373 10 0 DEAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301254 183352753 /nfs/dbraw/zinc/35/27/53/183352753.db2.gz YJUSQFCHDBYYAJ-RISCZKNCSA-N 1 0 303.374 2.440 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1nnnn1C1CCCC1)c1ccncc1 ZINC000043363181 183357031 /nfs/dbraw/zinc/35/70/31/183357031.db2.gz WXBRMQLORXIMMS-MFKMUULPSA-N 1 0 304.423 2.364 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1nnnn1-c1ccccc1)C(F)(F)F ZINC000043385904 183358262 /nfs/dbraw/zinc/35/82/62/183358262.db2.gz RFEOVXVMAVSKBK-VHSXEESVSA-N 1 0 317.340 2.423 10 0 DEAERO COc1cc(C[NH3+])cc(Br)c1OCCCCO ZINC000043445169 183364528 /nfs/dbraw/zinc/36/45/28/183364528.db2.gz ZBVYVCDWEIOBTR-UHFFFAOYSA-N 1 0 304.184 2.068 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000043486850 183366402 /nfs/dbraw/zinc/36/64/02/183366402.db2.gz GYOQEJTYZMZZSV-ZDUSSCGKSA-N 1 0 320.437 2.240 10 0 DEAERO C[NH2+]CCC(=O)Nc1c(C)cc(Br)cc1OC ZINC000043604640 183375180 /nfs/dbraw/zinc/37/51/80/183375180.db2.gz PYDZPNSCQUDNBK-UHFFFAOYSA-N 1 0 301.184 2.314 10 0 DEAERO C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)OC ZINC000043624137 183376420 /nfs/dbraw/zinc/37/64/20/183376420.db2.gz YELONTRFLLASSC-MRVPVSSYSA-N 1 0 302.168 2.109 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNc1nc2c(cc1C(N)=S)CCC2 ZINC000043408377 183360354 /nfs/dbraw/zinc/36/03/54/183360354.db2.gz RSXZMNIGBUYZHZ-LBPRGKRZSA-N 1 0 304.463 2.101 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](CCC(N)=S)CC(C)C ZINC000043418470 183360585 /nfs/dbraw/zinc/36/05/85/183360585.db2.gz MXJNLCRCPGXSKP-STQMWFEESA-N 1 0 301.500 2.314 10 0 DEAERO C[C@H](Cc1ccsc1)NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000044594576 183426290 /nfs/dbraw/zinc/42/62/90/183426290.db2.gz JJBOPWHDYAMVHA-GFCCVEGCSA-N 1 0 324.471 2.159 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1ccc(Br)c(N)c1 ZINC000045660962 183521677 /nfs/dbraw/zinc/52/16/77/183521677.db2.gz FXTZGYMXXHCWIW-UHFFFAOYSA-N 1 0 314.227 2.103 10 0 DEAERO CCC(C)(C)c1ccc(OC[C@H](O)CN2CC[NH2+]CC2)cc1 ZINC000045919773 183536937 /nfs/dbraw/zinc/53/69/37/183536937.db2.gz RBSWHXUMHMHZDN-MRXNPFEDSA-N 1 0 306.450 2.019 10 0 DEAERO C[C@@H]1CN(C2CC[NH+](CCCCCn3cccn3)CC2)CCO1 ZINC000104947551 194057044 /nfs/dbraw/zinc/05/70/44/194057044.db2.gz XRMJNDVUORWKFB-QGZVFWFLSA-N 1 0 320.481 2.239 10 0 DEAERO CCCc1cc(N2CC[C@@](O)(c3cn[nH]n3)C2)c2ccccc2[nH+]1 ZINC000284658706 218119533 /nfs/dbraw/zinc/11/95/33/218119533.db2.gz VVTYEEYSUDXQEA-SFHVURJKSA-N 1 0 323.400 2.403 10 0 DEAERO CC[NH2+][C@@H](CSc1nnc(SC)s1)[C@@H]1CCOC1 ZINC000159468458 197356317 /nfs/dbraw/zinc/35/63/17/197356317.db2.gz QJAPNIKWWAVCCN-BDAKNGLRSA-N 1 0 305.494 2.367 10 0 DEAERO Cc1nc(CN2CCC[N@H+](Cc3cccc(C)c3)CC2)no1 ZINC000105866706 194149882 /nfs/dbraw/zinc/14/98/82/194149882.db2.gz OGCBLKPYPZYLRM-UHFFFAOYSA-N 1 0 300.406 2.394 10 0 DEAERO COc1ccc(CC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000105883542 194156721 /nfs/dbraw/zinc/15/67/21/194156721.db2.gz DMUOYVKHPAMDJL-MRXNPFEDSA-N 1 0 300.406 2.241 10 0 DEAERO c1ncn(C[C@@H]2CCC[N@@H+](CCCOc3ccccc3)C2)n1 ZINC000105883363 194156953 /nfs/dbraw/zinc/15/69/53/194156953.db2.gz WBQFVQSVSMJJHO-MRXNPFEDSA-N 1 0 300.406 2.459 10 0 DEAERO CC[C@@H]1CN(CCC(=O)Nc2ccccc2)CC[N@@H+]1CCOC ZINC000105903098 194166949 /nfs/dbraw/zinc/16/69/49/194166949.db2.gz VXHAOWKARUZQOP-QGZVFWFLSA-N 1 0 319.449 2.058 10 0 DEAERO CCOCC[N@@H+]1CCN(CCC(=O)OC(C)(C)C)C[C@@H]1CC ZINC000105914774 194168746 /nfs/dbraw/zinc/16/87/46/194168746.db2.gz NASUKSGZWVKLRY-HNNXBMFYSA-N 1 0 314.470 2.151 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000105922215 194171942 /nfs/dbraw/zinc/17/19/42/194171942.db2.gz NDGPHZIXXMIEOG-GJZGRUSLSA-N 1 0 309.454 2.350 10 0 DEAERO COCC[N@@H+]1CCN(Cc2ccccc2OC(F)F)C[C@H]1C ZINC000106107748 194186140 /nfs/dbraw/zinc/18/61/40/194186140.db2.gz JKOAJUKGZJSKNI-CYBMUJFWSA-N 1 0 314.376 2.441 10 0 DEAERO CC[C@@H]1CN(Cc2cccc(C(=O)OC)c2)CC[N@@H+]1CCOC ZINC000106115662 194186728 /nfs/dbraw/zinc/18/67/28/194186728.db2.gz XKUHTHZDVNGMSF-QGZVFWFLSA-N 1 0 320.433 2.016 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cccnc1N1CCCCC1 ZINC000553214583 291736254 /nfs/dbraw/zinc/73/62/54/291736254.db2.gz VGRNFSNBUFIKSM-UHFFFAOYSA-N 1 0 304.438 2.096 10 0 DEAERO CC[C@H]1CCCC[C@H]1NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000049122529 183714182 /nfs/dbraw/zinc/71/41/82/183714182.db2.gz ACVCQDZPPAUGMG-LSDHHAIUSA-N 1 0 302.484 2.264 10 0 DEAERO CCCN([C@@](C)(CC)C[NH3+])S(=O)(=O)c1cc(F)ccc1F ZINC000050093627 183772933 /nfs/dbraw/zinc/77/29/33/183772933.db2.gz YJUNFKOVUGSHBF-AWEZNQCLSA-N 1 0 320.405 2.493 10 0 DEAERO [NH3+][C@H]1CCCN(CC(=O)c2ccc(Br)s2)C1 ZINC000050149807 183775129 /nfs/dbraw/zinc/77/51/29/183775129.db2.gz UWBHRNIKCKDHQT-QMMMGPOBSA-N 1 0 303.225 2.116 10 0 DEAERO COCC[NH2+]Cc1ccc(OCCCO)c(C(F)(F)F)c1 ZINC000109410648 194261626 /nfs/dbraw/zinc/26/16/26/194261626.db2.gz QILLEIPSASKGCH-UHFFFAOYSA-N 1 0 307.312 2.203 10 0 DEAERO Cn1cnnc1CC[NH2+]Cc1ccc(Br)cc1F ZINC000109421729 194262323 /nfs/dbraw/zinc/26/23/23/194262323.db2.gz RYFTXHNGIXMXNZ-UHFFFAOYSA-N 1 0 313.174 2.049 10 0 DEAERO NC(=S)C[NH+]1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000109442312 194263353 /nfs/dbraw/zinc/26/33/53/194263353.db2.gz HMGYITQEQQVYSI-UHFFFAOYSA-N 1 0 318.273 2.397 10 0 DEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000109471627 194266539 /nfs/dbraw/zinc/26/65/39/194266539.db2.gz DVZBJVUUYYCJJT-LBPRGKRZSA-N 1 0 312.870 2.312 10 0 DEAERO CCC[NH2+][C@H]1CCCCC[C@@H]1c1nc(CS(C)(=O)=O)no1 ZINC000109512506 194270369 /nfs/dbraw/zinc/27/03/69/194270369.db2.gz GATWDEHQPBIJBT-RYUDHWBXSA-N 1 0 315.439 2.030 10 0 DEAERO O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359262 183824731 /nfs/dbraw/zinc/82/47/31/183824731.db2.gz GQZHPFWADQNDKX-STQMWFEESA-N 1 0 314.838 2.245 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000051882997 183840167 /nfs/dbraw/zinc/84/01/67/183840167.db2.gz AAYHYDWJFWCWEN-SECBINFHSA-N 1 0 302.296 2.183 10 0 DEAERO CC(C)C[NH2+]C[C@@H]1CC[C@@H](Cn2cc(Br)cn2)O1 ZINC000052577584 183865197 /nfs/dbraw/zinc/86/51/97/183865197.db2.gz SJNSKODFTXBZFG-STQMWFEESA-N 1 0 316.243 2.439 10 0 DEAERO CC(C)[NH+](CCNC(=O)[C@@H]1CCCN1c1nccs1)C(C)C ZINC000110610384 194343042 /nfs/dbraw/zinc/34/30/42/194343042.db2.gz MOWQXGGJNPKRST-AWEZNQCLSA-N 1 0 324.494 2.347 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CCNC(=O)C1(C)C ZINC000110653918 194347459 /nfs/dbraw/zinc/34/74/59/194347459.db2.gz APOAYFQFOOCHMP-KBPBESRZSA-N 1 0 309.841 2.329 10 0 DEAERO CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CN1CCS(=O)CC1 ZINC000053873280 183915244 /nfs/dbraw/zinc/91/52/44/183915244.db2.gz YTVSMGMDZJVFCB-OAGGEKHMSA-N 1 0 314.539 2.491 10 0 DEAERO CN(Cc1cc(F)cc(C(F)(F)F)c1)C[C@H]1C[NH2+]CCO1 ZINC000159325701 197345561 /nfs/dbraw/zinc/34/55/61/197345561.db2.gz ZIQKDYBRADNTOH-CYBMUJFWSA-N 1 0 306.303 2.265 10 0 DEAERO Cc1nc(C[NH3+])sc1-c1nc(Cc2ccc(O)cc2)no1 ZINC000110790951 194359613 /nfs/dbraw/zinc/35/96/13/194359613.db2.gz PTTIHMNHGZFZFS-UHFFFAOYSA-N 1 0 302.359 2.257 10 0 DEAERO O=C(NCC[C@H]1CC[NH2+]C1)c1c(F)c(F)c(F)c(F)c1F ZINC000110794098 194359720 /nfs/dbraw/zinc/35/97/20/194359720.db2.gz ZYTBLRJRPNETBI-ZCFIWIBFSA-N 1 0 308.250 2.112 10 0 DEAERO CCN(CCOC)[C@H](C[NH3+])c1ccc(OC)c(OC)c1Cl ZINC000110829162 194361756 /nfs/dbraw/zinc/36/17/56/194361756.db2.gz MNTAFUAGXRYYRA-GFCCVEGCSA-N 1 0 316.829 2.325 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000110928509 194370808 /nfs/dbraw/zinc/37/08/08/194370808.db2.gz VVLXKBOQFBSQBC-LLVKDONJSA-N 1 0 302.827 2.021 10 0 DEAERO CN(C)CC[N@H+](C)CCCC(=O)Nc1ccc(Cl)cc1N ZINC000111130162 194393097 /nfs/dbraw/zinc/39/30/97/194393097.db2.gz MHILTAUOIDEDEP-UHFFFAOYSA-N 1 0 312.845 2.134 10 0 DEAERO C[C@H](C(=O)Nc1ccc(N)cc1Cl)N(C)CCC[NH+](C)C ZINC000111131513 194393367 /nfs/dbraw/zinc/39/33/67/194393367.db2.gz VWROVMBCSWJKEL-LLVKDONJSA-N 1 0 312.845 2.133 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1cccnc1 ZINC000057205841 184029435 /nfs/dbraw/zinc/02/94/35/184029435.db2.gz PJNCMDUHZDOZEA-QGZVFWFLSA-N 1 0 312.417 2.054 10 0 DEAERO C[C@](O)(C[NH2+]C1CC1)COc1cc(F)cc(Br)c1 ZINC000157229860 197172191 /nfs/dbraw/zinc/17/21/91/197172191.db2.gz WXAHIFDETWLCLZ-ZDUSSCGKSA-N 1 0 318.186 2.470 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000112133410 194435114 /nfs/dbraw/zinc/43/51/14/194435114.db2.gz FXIVCTKUADILMA-KGLIPLIRSA-N 1 0 320.437 2.043 10 0 DEAERO CCOCC[N@H+](C)CCCC[C@](C)(NC(C)C)C(=O)OC ZINC000157467542 197190374 /nfs/dbraw/zinc/19/03/74/197190374.db2.gz ZONLXZYNRNATGJ-INIZCTEOSA-N 1 0 302.459 2.055 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000057870058 184059892 /nfs/dbraw/zinc/05/98/92/184059892.db2.gz DKAIBFDLCLFOPX-RYUDHWBXSA-N 1 0 307.360 2.455 10 0 DEAERO C[N@H+](CCNc1ccccc1S(=O)(=O)C(F)(F)F)C1CC1 ZINC000060355865 184146762 /nfs/dbraw/zinc/14/67/62/184146762.db2.gz KAXRZSLFANDBBU-UHFFFAOYSA-N 1 0 322.352 2.486 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1C(N)=S)[N@H+](C)CC1CCC1 ZINC000061457958 184171260 /nfs/dbraw/zinc/17/12/60/184171260.db2.gz LRGSRWWJXONJQE-LLVKDONJSA-N 1 0 305.447 2.380 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)Nc1cc(F)c(F)cc1F ZINC000061094753 184162114 /nfs/dbraw/zinc/16/21/14/184162114.db2.gz JYMZSZSSZYEJSJ-UHFFFAOYSA-N 1 0 310.341 2.234 10 0 DEAERO [NH3+]Cc1cccc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC000061118203 184162636 /nfs/dbraw/zinc/16/26/36/184162636.db2.gz WJARZNMOXRHVIZ-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000061265844 184167250 /nfs/dbraw/zinc/16/72/50/184167250.db2.gz SABROQICOLXAPR-DOMZBBRYSA-N 1 0 310.825 2.486 10 0 DEAERO C[NH2+]C(C)(C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000061318674 184168169 /nfs/dbraw/zinc/16/81/69/184168169.db2.gz LXWDHLZTFQZMLQ-UHFFFAOYSA-N 1 0 310.419 2.350 10 0 DEAERO CCCn1c(S[C@@H](C[NH3+])c2ccccc2Cl)n[nH]c1=O ZINC000061594913 184176395 /nfs/dbraw/zinc/17/63/95/184176395.db2.gz LVZGEPPUAGMBPL-NSHDSACASA-N 1 0 312.826 2.427 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(Cl)c(O[C@@H](CC)C(N)=O)c(OC)c1 ZINC000061678331 184181819 /nfs/dbraw/zinc/18/18/19/184181819.db2.gz VREDBRXRNBLUCB-JQWIXIFHSA-N 1 0 314.813 2.271 10 0 DEAERO COCC[NH2+]C[C@@](C)(O)c1ccc(F)c(Br)c1 ZINC000061689980 184182872 /nfs/dbraw/zinc/18/28/72/184182872.db2.gz WQTAXSJPKDSAFJ-GFCCVEGCSA-N 1 0 306.175 2.032 10 0 DEAERO COCC[C@H]([NH3+])C(=O)Nc1cc(Br)ccc1Cl ZINC000061692422 184183503 /nfs/dbraw/zinc/18/35/03/184183503.db2.gz DKHYUJQRNMBCTQ-VIFPVBQESA-N 1 0 321.602 2.405 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)c1ccccc1)c1cccc(OC)c1 ZINC000061702782 184184484 /nfs/dbraw/zinc/18/44/84/184184484.db2.gz GUKPBOCYBHDVNK-INIZCTEOSA-N 1 0 305.399 2.430 10 0 DEAERO O[C@H]1CCN(c2cc(Br)ccc2C[NH2+]C2CC2)C1 ZINC000061711264 184184884 /nfs/dbraw/zinc/18/48/84/184184884.db2.gz ANBCHVHGHNMQRF-ZDUSSCGKSA-N 1 0 311.223 2.272 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccsc1)N1CCN(CC(F)(F)F)CC1 ZINC000061940833 184197225 /nfs/dbraw/zinc/19/72/25/184197225.db2.gz BMFHYVDHFSVEOC-JQWIXIFHSA-N 1 0 307.385 2.316 10 0 DEAERO CCC[C@H]1CC[C@@H]([NH3+])[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061941080 184197350 /nfs/dbraw/zinc/19/73/50/184197350.db2.gz AZZVABOFYQDCBY-BFHYXJOUSA-N 1 0 307.404 2.462 10 0 DEAERO FC(F)(F)CN1CCN(C[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000061948001 184198241 /nfs/dbraw/zinc/19/82/41/184198241.db2.gz HEMDFJXJTSLWOJ-MCIONIFRSA-N 1 0 305.388 2.087 10 0 DEAERO COc1ccc(CNc2[nH+]c(C)cc(C)c2C(N)=S)cn1 ZINC000062057193 184203549 /nfs/dbraw/zinc/20/35/49/184203549.db2.gz DZQKIGNIXZHKSH-UHFFFAOYSA-N 1 0 302.403 2.348 10 0 DEAERO CCN(Cc1ccc(Br)s1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062114573 184206277 /nfs/dbraw/zinc/20/62/77/184206277.db2.gz WTXOGGYZZFIGJN-SECBINFHSA-N 1 0 317.252 2.469 10 0 DEAERO COC(=O)CC[C@H]([NH3+])Cc1ccc(Br)cc1F ZINC000061893240 184192924 /nfs/dbraw/zinc/19/29/24/184192924.db2.gz HHCBCLSAKJZLTJ-JTQLQIEISA-N 1 0 304.159 2.411 10 0 DEAERO COCCC[N@H+]1[C@H](C)CN(C(=O)c2cccc(F)c2)C[C@@H]1C ZINC000062180848 184213469 /nfs/dbraw/zinc/21/34/69/184213469.db2.gz VKNIHCOECRXGBD-OKILXGFUSA-N 1 0 308.397 2.397 10 0 DEAERO CN(Cc1nccn1C)[C@H](C[NH3+])c1ccccc1Br ZINC000062247511 184225309 /nfs/dbraw/zinc/22/53/09/184225309.db2.gz HFSNSTSLRPAFKH-CYBMUJFWSA-N 1 0 323.238 2.314 10 0 DEAERO [NH3+]C[C@@H](c1cccc(Br)c1)N1CCn2ccnc2C1 ZINC000062246233 184225424 /nfs/dbraw/zinc/22/54/24/184225424.db2.gz RAKSRDCXTXYUGS-ZDUSSCGKSA-N 1 0 321.222 2.161 10 0 DEAERO Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)N2CCOC[C@@H]2C)c1 ZINC000062509677 184240905 /nfs/dbraw/zinc/24/09/05/184240905.db2.gz WPKZSTAJIYSJSQ-RDJZCZTQSA-N 1 0 302.418 2.207 10 0 DEAERO CCC(CC)[N@H+](CCOC)CC[C@H](NC(C)C)C(=O)OC ZINC000062525613 184241459 /nfs/dbraw/zinc/24/14/59/184241459.db2.gz XMYQPDYEGLWBHZ-HNNXBMFYSA-N 1 0 302.459 2.053 10 0 DEAERO Cc1cc(C[NH2+]CC(C)C)cc(C)c1OCCS(C)(=O)=O ZINC000062728555 184250831 /nfs/dbraw/zinc/25/08/31/184250831.db2.gz MBAJUWZOLDCYHA-UHFFFAOYSA-N 1 0 313.463 2.472 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)ccc1OCCCC(=O)OC ZINC000062731080 184251108 /nfs/dbraw/zinc/25/11/08/184251108.db2.gz QOVVXOKVSWTTRP-UHFFFAOYSA-N 1 0 315.797 2.408 10 0 DEAERO CC(C)(C)[NH2+]Cc1c(N2CCC(O)CC2)nc2sccn12 ZINC000062734667 184251372 /nfs/dbraw/zinc/25/13/72/184251372.db2.gz ACZPHLKVMWLFIA-UHFFFAOYSA-N 1 0 308.451 2.245 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@@H](C)O ZINC000062733015 184251471 /nfs/dbraw/zinc/25/14/71/184251471.db2.gz ZJSWEBMYQDBZIU-SECBINFHSA-N 1 0 308.205 2.489 10 0 DEAERO COCC[NH2+]Cc1cccc(OCCOCC(F)(F)F)c1 ZINC000062731739 184251561 /nfs/dbraw/zinc/25/15/61/184251561.db2.gz VQDLFBDXBNVUEF-UHFFFAOYSA-N 1 0 307.312 2.380 10 0 DEAERO NC(=[NH2+])c1ccc(Sc2ncnc3[nH]cnc32)c(Cl)c1 ZINC000062794895 184253044 /nfs/dbraw/zinc/25/30/44/184253044.db2.gz PBPBUMYOZHXHJA-UHFFFAOYSA-N 1 0 304.766 2.442 10 0 DEAERO Cn1cc(Br)cc1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000062837841 184255722 /nfs/dbraw/zinc/25/57/22/184255722.db2.gz HRIYTFSTZAMVKP-LBPRGKRZSA-N 1 0 322.206 2.217 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000063210221 184278475 /nfs/dbraw/zinc/27/84/75/184278475.db2.gz YRELBWQABKRDRW-QWRGUYRKSA-N 1 0 301.312 2.490 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000063210219 184278558 /nfs/dbraw/zinc/27/85/58/184278558.db2.gz YRELBWQABKRDRW-WDEREUQCSA-N 1 0 301.312 2.490 10 0 DEAERO C[C@H]1[NH2+]CCCN(Cc2ccc(F)cc2Br)C1=O ZINC000063215195 184278823 /nfs/dbraw/zinc/27/88/23/184278823.db2.gz OBHDUSRDNGGLRM-SECBINFHSA-N 1 0 315.186 2.299 10 0 DEAERO CC[NH2+]Cc1cccc(OCC)c1OCCCS(C)(=O)=O ZINC000063014343 184266614 /nfs/dbraw/zinc/26/66/14/184266614.db2.gz MQOCDUVEYVGVGV-UHFFFAOYSA-N 1 0 315.435 2.008 10 0 DEAERO C[C@@H]([NH3+])Cc1ccc(OCCCS(C)(=O)=O)c(Cl)c1 ZINC000063017590 184267423 /nfs/dbraw/zinc/26/74/23/184267423.db2.gz QEWMDIHAWDGLSD-SNVBAGLBSA-N 1 0 305.827 2.043 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NCCC(F)(F)F)cc1 ZINC000063101579 184271143 /nfs/dbraw/zinc/27/11/43/184271143.db2.gz MEICSXUUBMXREG-UHFFFAOYSA-N 1 0 310.341 2.027 10 0 DEAERO Cc1nnc(Sc2ccc(S(C)(=O)=O)cc2)c(C[NH3+])c1C ZINC000063131484 184272169 /nfs/dbraw/zinc/27/21/69/184272169.db2.gz BECKPXGKSASVCR-UHFFFAOYSA-N 1 0 323.443 2.107 10 0 DEAERO COCCC[NH2+]C[C@H](C)Sc1ccc(S(C)(=O)=O)cc1 ZINC000063132123 184272662 /nfs/dbraw/zinc/27/26/62/184272662.db2.gz GZAZZROVWAYHMD-LBPRGKRZSA-N 1 0 317.476 2.197 10 0 DEAERO COCC[NH2+]CCCCSc1ccc(S(C)(=O)=O)cc1 ZINC000063132138 184272938 /nfs/dbraw/zinc/27/29/38/184272938.db2.gz BKSXMPVVHYUZRK-UHFFFAOYSA-N 1 0 317.476 2.198 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1F ZINC000063168204 184275554 /nfs/dbraw/zinc/27/55/54/184275554.db2.gz HRLMLOAMIKIJLU-SNVBAGLBSA-N 1 0 320.817 2.242 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(C)sc1C ZINC000063168117 184275688 /nfs/dbraw/zinc/27/56/88/184275688.db2.gz MPAWNSKHEVAXJU-LBPRGKRZSA-N 1 0 302.465 2.128 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000063177845 184276570 /nfs/dbraw/zinc/27/65/70/184276570.db2.gz NGXABEVPFKFMHK-WDEREUQCSA-N 1 0 308.325 2.272 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000262633720 207372647 /nfs/dbraw/zinc/37/26/47/207372647.db2.gz ODUBPDLRTXGDTB-BQFCYCMXSA-N 1 0 302.418 2.473 10 0 DEAERO C[N@H+](C[C@H](O)C1CCCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000248957351 207371368 /nfs/dbraw/zinc/37/13/68/207371368.db2.gz OVMHXBMXUDGPER-IRXDYDNUSA-N 1 0 318.465 2.318 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000159308631 197344183 /nfs/dbraw/zinc/34/41/83/197344183.db2.gz VFUVHTPYIMAFLX-IINYFYTJSA-N 1 0 300.349 2.238 10 0 DEAERO CC(C)C[C@@H](CNC(=O)[C@@H]1CCCN1c1nccs1)[NH+](C)C ZINC000114376556 194651606 /nfs/dbraw/zinc/65/16/06/194651606.db2.gz WSRJDCFERSKARR-KBPBESRZSA-N 1 0 324.494 2.204 10 0 DEAERO O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(-n2ccnc2)c1 ZINC000117748503 194844703 /nfs/dbraw/zinc/84/47/03/194844703.db2.gz YVZPJCIBLCVJJG-UHFFFAOYSA-N 1 0 310.401 2.229 10 0 DEAERO Brc1cccc2[nH]cc(CCNC3=[NH+]CCCN3)c21 ZINC000262361767 532970348 /nfs/dbraw/zinc/97/03/48/532970348.db2.gz JAHPDUKQXVVQIJ-UHFFFAOYSA-N 1 0 321.222 2.412 10 0 DEAERO CCC[C@@H](C(=O)NCCc1nc2c(cccc2F)n1C)[NH+](C)C ZINC000162070636 197541445 /nfs/dbraw/zinc/54/14/45/197541445.db2.gz VNNFMCZNZPYBGZ-AWEZNQCLSA-N 1 0 320.412 2.101 10 0 DEAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)o1 ZINC000120003252 195077697 /nfs/dbraw/zinc/07/76/97/195077697.db2.gz XIMYJPZYPXUGQX-YPMHNXCESA-N 1 0 302.378 2.112 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cnccn1 ZINC000119965013 195070472 /nfs/dbraw/zinc/07/04/72/195070472.db2.gz LXYUWPINRHLQRI-RYUDHWBXSA-N 1 0 303.797 2.455 10 0 DEAERO Cc1cnccc1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000270144467 208203621 /nfs/dbraw/zinc/20/36/21/208203621.db2.gz QDFTXYIFMKVZKN-ALOPSCKCSA-N 1 0 316.449 2.247 10 0 DEAERO [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)C1CC1 ZINC000159280083 197341672 /nfs/dbraw/zinc/34/16/72/197341672.db2.gz FFIJRDKHVJMSSF-MCIONIFRSA-N 1 0 323.234 2.406 10 0 DEAERO C[NH2+][C@H](CSc1nc2cc(OC)ccc2[nH]1)[C@H]1CCOC1 ZINC000159261792 197340452 /nfs/dbraw/zinc/34/04/52/197340452.db2.gz RVMTULSUOLUMPM-IINYFYTJSA-N 1 0 307.419 2.288 10 0 DEAERO C[NH2+][C@H](C[S@@](=O)c1ccc2c(c1)OCCO2)C1CCCC1 ZINC000159161079 197332332 /nfs/dbraw/zinc/33/23/32/197332332.db2.gz DHRWZBQINKIVQV-SZNDQCEHSA-N 1 0 309.431 2.344 10 0 DEAERO [NH3+][C@@H](C[S@](=O)c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000159162617 197332022 /nfs/dbraw/zinc/33/20/22/197332022.db2.gz SFDQGHAWAOJNHO-LHSJRXKWSA-N 1 0 309.431 2.473 10 0 DEAERO COc1ccc(CNc2nc(NN)[nH+]cc2Cl)cc1OC ZINC000159165960 197331803 /nfs/dbraw/zinc/33/18/03/197331803.db2.gz JOQOOODDFMUCLQ-UHFFFAOYSA-N 1 0 309.757 2.045 10 0 DEAERO CC[NH2+][C@@H](Cc1ccncc1)c1c(Br)cnn1C ZINC000159223451 197336959 /nfs/dbraw/zinc/33/69/59/197336959.db2.gz XXAFQLMNMFPOFU-LBPRGKRZSA-N 1 0 309.211 2.471 10 0 DEAERO C[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1C1CCS(=O)CC1 ZINC000159207351 197336318 /nfs/dbraw/zinc/33/63/18/197336318.db2.gz HEJJNXQGGIEEJR-PYXVISIKSA-N 1 0 306.475 2.107 10 0 DEAERO C[NH2+][C@@H](C[S@](=O)c1ccc2c(c1)OCCO2)C1CCCC1 ZINC000159161223 197332529 /nfs/dbraw/zinc/33/25/29/197332529.db2.gz DHRWZBQINKIVQV-LHSJRXKWSA-N 1 0 309.431 2.344 10 0 DEAERO CC[NH2+]Cc1cccc(Cl)c1OCCCS(C)(=O)=O ZINC000159129633 197329488 /nfs/dbraw/zinc/32/94/88/197329488.db2.gz BFBLNVZJVZRYTO-UHFFFAOYSA-N 1 0 305.827 2.263 10 0 DEAERO CCCCNS(=O)(=O)c1cc(C)c(F)c(C[NH2+]CC)c1 ZINC000159089831 197326628 /nfs/dbraw/zinc/32/66/28/197326628.db2.gz ULEAXRAYJQURHH-UHFFFAOYSA-N 1 0 302.415 2.322 10 0 DEAERO [NH3+]C1CCN([C@H]2CCN(C(=O)c3sccc3Cl)C2)CC1 ZINC000159083047 197325961 /nfs/dbraw/zinc/32/59/61/197325961.db2.gz HKRBGRMZKBPHTP-NSHDSACASA-N 1 0 313.854 2.039 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCO[C@H](c2cccs2)C1)C1CC1 ZINC000159060033 197323431 /nfs/dbraw/zinc/32/34/31/197323431.db2.gz LOLPJSFJJKNHRJ-AWEZNQCLSA-N 1 0 323.462 2.315 10 0 DEAERO C[C@@H]([NH3+])Cc1ccc(Oc2ccc(S(C)(=O)=O)cc2)nc1 ZINC000158821277 197303754 /nfs/dbraw/zinc/30/37/54/197303754.db2.gz YAAIAWFCWBUXFE-LLVKDONJSA-N 1 0 306.387 2.167 10 0 DEAERO CCC[C@H]1CCN(CCS(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000158753071 197299451 /nfs/dbraw/zinc/29/94/51/197299451.db2.gz SHIGKSJNLLKSCR-HNNXBMFYSA-N 1 0 310.463 2.041 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)ccc1C ZINC000158749640 197298968 /nfs/dbraw/zinc/29/89/68/197298968.db2.gz OQVPGZATQRNVNC-KBPBESRZSA-N 1 0 308.447 2.135 10 0 DEAERO C[NH2+]Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000158746725 197298169 /nfs/dbraw/zinc/29/81/69/197298169.db2.gz RKBBTXXGYCQIAF-GASCZTMLSA-N 1 0 308.447 2.135 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)[C@H]1CCOC1 ZINC000158731409 197297418 /nfs/dbraw/zinc/29/74/18/197297418.db2.gz OJNUVCHBUKRZMB-HOCLYGCPSA-N 1 0 311.447 2.092 10 0 DEAERO CN(c1ccccc1)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000120255798 195129115 /nfs/dbraw/zinc/12/91/15/195129115.db2.gz RNDWHXNJQPBDQJ-QGZVFWFLSA-N 1 0 301.434 2.256 10 0 DEAERO CC[C@@H]1CN(c2ncc(C[NH2+]CCOC)s2)CCS1 ZINC000158313648 197261964 /nfs/dbraw/zinc/26/19/64/197261964.db2.gz QQHNFRFJKAWVNG-LLVKDONJSA-N 1 0 301.481 2.211 10 0 DEAERO C[C@@H](C[NH3+])CC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000158254181 197256819 /nfs/dbraw/zinc/25/68/19/197256819.db2.gz IJYOMLCJINWWRF-SNVBAGLBSA-N 1 0 304.312 2.229 10 0 DEAERO C[N@H+](CCCC(=O)Nc1ccc(N)cc1Cl)[C@@H]1CCOC1 ZINC000158229201 197255517 /nfs/dbraw/zinc/25/55/17/197255517.db2.gz XAVIAOYMJULFNW-GFCCVEGCSA-N 1 0 311.813 2.362 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000158224666 197255019 /nfs/dbraw/zinc/25/50/19/197255019.db2.gz FENYFAZZGDVWTC-NSHDSACASA-N 1 0 300.349 2.322 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000158224829 197255065 /nfs/dbraw/zinc/25/50/65/197255065.db2.gz FENYFAZZGDVWTC-LLVKDONJSA-N 1 0 300.349 2.322 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cccc(C(F)F)c2)CCO1 ZINC000158150884 197248771 /nfs/dbraw/zinc/24/87/71/197248771.db2.gz JSUPSAZFNTXTTF-ZDUSSCGKSA-N 1 0 313.348 2.419 10 0 DEAERO CCCc1cc(C(=O)N2CCS[C@@H](CC)C2)cc(NN)[nH+]1 ZINC000158095271 197243539 /nfs/dbraw/zinc/24/35/39/197243539.db2.gz BLZCOTKKQGJNMB-ZDUSSCGKSA-N 1 0 308.451 2.287 10 0 DEAERO CC[C@H]1CN(C(=O)c2cc(NN)[nH+]c(C(C)C)c2)CCS1 ZINC000158091932 197243107 /nfs/dbraw/zinc/24/31/07/197243107.db2.gz CSYSXZMPTJYPNM-LBPRGKRZSA-N 1 0 308.451 2.458 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)C2(C(N)=S)CCCCCC2)CC[N@@H+]1C ZINC000157998669 197234177 /nfs/dbraw/zinc/23/41/77/197234177.db2.gz RANYRRVJPMRLML-CHWSQXEVSA-N 1 0 311.495 2.212 10 0 DEAERO CC[C@H]([NH3+])CS(=O)(=O)Cc1cccc(F)c1Br ZINC000157998266 197234087 /nfs/dbraw/zinc/23/40/87/197234087.db2.gz YWHVUJLUOGEITF-VIFPVBQESA-N 1 0 324.215 2.240 10 0 DEAERO C[C@@H](C[NH3+])C[S@](=O)Cc1cccc(F)c1Br ZINC000158002931 197233841 /nfs/dbraw/zinc/23/38/41/197233841.db2.gz GSPZREFRTCYRIW-ZKANADHPSA-N 1 0 308.216 2.432 10 0 DEAERO C[C@@H](C[NH3+])C[S@@](=O)Cc1cccc(F)c1Br ZINC000158002637 197233854 /nfs/dbraw/zinc/23/38/54/197233854.db2.gz GSPZREFRTCYRIW-PWJLMRLQSA-N 1 0 308.216 2.432 10 0 DEAERO CSC1(C(N)=S)CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000157942123 197229515 /nfs/dbraw/zinc/22/95/15/197229515.db2.gz YPQUJDDMDVRKGV-UHFFFAOYSA-N 1 0 310.488 2.163 10 0 DEAERO COc1c(C)cc(C[N@H+](C)CCCN2CCOCC2)cc1C ZINC000157903904 197225197 /nfs/dbraw/zinc/22/51/97/197225197.db2.gz RPKJEIITLQKCLS-UHFFFAOYSA-N 1 0 306.450 2.466 10 0 DEAERO CCCCCC[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000157977803 197232253 /nfs/dbraw/zinc/23/22/53/197232253.db2.gz GOTODWYJYBDVLO-UHFFFAOYSA-N 1 0 316.453 2.374 10 0 DEAERO CC[NH+]1CCN(c2cc(Br)c(F)cc2N)CC1 ZINC000157758130 197212969 /nfs/dbraw/zinc/21/29/69/197212969.db2.gz AVQJJDYUXYWSIA-UHFFFAOYSA-N 1 0 302.191 2.312 10 0 DEAERO Cn1ncc(Br)c1[C@@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000157600751 197201141 /nfs/dbraw/zinc/20/11/41/197201141.db2.gz WIEAFUXHTLORCH-GFCCVEGCSA-N 1 0 316.243 2.481 10 0 DEAERO C[C@@H]1[NH2+]CCCN(Cc2cccc(F)c2Br)C1=O ZINC000157571864 197199326 /nfs/dbraw/zinc/19/93/26/197199326.db2.gz QMIOKWYJODGYAG-VIFPVBQESA-N 1 0 315.186 2.299 10 0 DEAERO COC(=O)[C@@](C)(C[C@@H](C)[N@H+](C)CCOC(C)C)NC(C)C ZINC000157499922 197191990 /nfs/dbraw/zinc/19/19/90/197191990.db2.gz UVXJJCLCFKCVPW-GDBMZVCRSA-N 1 0 302.459 2.052 10 0 DEAERO Cc1ccc(C[NH2+]C2CC2)cc1S(=O)(=O)N(C)CC(F)F ZINC000157160261 197166961 /nfs/dbraw/zinc/16/69/61/197166961.db2.gz PSUQIAYLJHPGPX-UHFFFAOYSA-N 1 0 318.389 2.133 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)c1nnc(Cl)s1)c1ccccc1 ZINC000157244961 197172713 /nfs/dbraw/zinc/17/27/13/197172713.db2.gz RCNQRZLWZJMSTL-JTQLQIEISA-N 1 0 310.810 2.224 10 0 DEAERO CCOCCN(C)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000157098779 197161912 /nfs/dbraw/zinc/16/19/12/197161912.db2.gz HAFRZKDAIIPCRU-LBPRGKRZSA-N 1 0 300.786 2.037 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000157121669 197164297 /nfs/dbraw/zinc/16/42/97/197164297.db2.gz MSYZMPWDSWGCBB-CRAIPNDOSA-N 1 0 320.433 2.493 10 0 DEAERO COc1cccc(OC)c1CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000157123915 197163918 /nfs/dbraw/zinc/16/39/18/197163918.db2.gz TWNHUPDFDCNAQP-CQSZACIVSA-N 1 0 322.449 2.339 10 0 DEAERO CC1(C)CCCC[C@H]1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000156910129 197149151 /nfs/dbraw/zinc/14/91/51/197149151.db2.gz MXYOYGBEEOMEIE-LSDHHAIUSA-N 1 0 311.470 2.101 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1F ZINC000156805785 197142411 /nfs/dbraw/zinc/14/24/11/197142411.db2.gz QHOTWRVZYUSHBI-HIFRSBDPSA-N 1 0 323.412 2.167 10 0 DEAERO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1c(F)cc(F)cc1F ZINC000156718820 197136056 /nfs/dbraw/zinc/13/60/56/197136056.db2.gz IZYSZBOJKAHMPO-GFCCVEGCSA-N 1 0 324.368 2.098 10 0 DEAERO CCOC(=O)c1c(NC(=O)[C@@H](C)[C@@H](C)[NH3+])sc2c1CCC2 ZINC000156810370 197141963 /nfs/dbraw/zinc/14/19/63/197141963.db2.gz YWNUDRTWISUORU-DTWKUNHWSA-N 1 0 310.419 2.335 10 0 DEAERO CS[C@@H](C)CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000156659779 197131400 /nfs/dbraw/zinc/13/14/00/197131400.db2.gz TVTIUFKNRWUHAX-NSHDSACASA-N 1 0 313.442 2.438 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nn2cnc3ccccc32)C1 ZINC000156364827 197107932 /nfs/dbraw/zinc/10/79/32/197107932.db2.gz MJKBJNSTVRFQIR-OCCSQVGLSA-N 1 0 301.394 2.018 10 0 DEAERO NC(=O)N1CCC([NH2+]CCCc2c[nH]c3ccccc23)CC1 ZINC000156321715 197104658 /nfs/dbraw/zinc/10/46/58/197104658.db2.gz DYYYQYYHJRFHAX-UHFFFAOYSA-N 1 0 300.406 2.233 10 0 DEAERO O=S(=O)(NCC[NH2+][C@@H]1CC[C@H]1C1CCC1)c1cccs1 ZINC000558696781 291903307 /nfs/dbraw/zinc/90/33/07/291903307.db2.gz CKJVKPYEFOYHHC-QWHCGFSZSA-N 1 0 314.476 2.195 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000156092137 197086423 /nfs/dbraw/zinc/08/64/23/197086423.db2.gz VEJCTHUYBWKSHY-WDSKDSINSA-N 1 0 308.250 2.334 10 0 DEAERO CS(=O)(=O)Nc1ccccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155995967 197078889 /nfs/dbraw/zinc/07/88/89/197078889.db2.gz OONQUXNNAWNVOA-CHWSQXEVSA-N 1 0 309.435 2.097 10 0 DEAERO COc1ccc([S@](=O)Cc2ccc(OC)c(C[NH3+])c2)cc1 ZINC000155948182 197076813 /nfs/dbraw/zinc/07/68/13/197076813.db2.gz HSCCMQAJJOEQOO-NRFANRHFSA-N 1 0 305.399 2.470 10 0 DEAERO COc1ccc(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1F ZINC000155544719 197065920 /nfs/dbraw/zinc/06/59/20/197065920.db2.gz KCBGNVRLJPATDJ-WFASDCNBSA-N 1 0 308.397 2.222 10 0 DEAERO COC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000458247537 285228050 /nfs/dbraw/zinc/22/80/50/285228050.db2.gz XPSMDMGDAPSMOC-IAGOWNOFSA-N 1 0 319.449 2.498 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC000245437461 285271243 /nfs/dbraw/zinc/27/12/43/285271243.db2.gz WLBBQHRYNLTGJY-HOCLYGCPSA-N 1 0 323.481 2.014 10 0 DEAERO COc1cccc(OCCCNC(=O)N(C)CCC[NH+](C)C)c1 ZINC000543682063 285302652 /nfs/dbraw/zinc/30/26/52/285302652.db2.gz DASILIPEOFHXSF-UHFFFAOYSA-N 1 0 323.437 2.057 10 0 DEAERO C[C@H](N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1nnnn1C1CC1 ZINC000289498727 221019967 /nfs/dbraw/zinc/01/99/67/221019967.db2.gz ZUXXYYZMCVVPOL-RCBQFDQVSA-N 1 0 312.421 2.104 10 0 DEAERO Cc1ccc(C[N@@H+]2CC[C@@H]3O[C@@H](C(=O)NCC4CC4)CC[C@@H]32)o1 ZINC000248049904 257109871 /nfs/dbraw/zinc/10/98/71/257109871.db2.gz ATFMYCGPMHJCLY-YESZJQIVSA-N 1 0 318.417 2.236 10 0 DEAERO CN(C)C(=O)[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(F)cc2)O1 ZINC000248023254 257110729 /nfs/dbraw/zinc/11/07/29/257110729.db2.gz RSOCSDMNHYTXDJ-JYJNAYRXSA-N 1 0 306.381 2.036 10 0 DEAERO O=C1CCCN1C[C@@H]1OC[C@H]2CC[N@H+](Cc3ccsc3)C[C@@H]12 ZINC000247960024 257113076 /nfs/dbraw/zinc/11/30/76/257113076.db2.gz PVGMJLHGOREWGD-OAGGEKHMSA-N 1 0 320.458 2.207 10 0 DEAERO Cc1cccc(C[N@@H+]2C[C@@H]3OC[C@H](CNc4ccccn4)[C@@H]3C2)n1 ZINC000247873095 257115698 /nfs/dbraw/zinc/11/56/98/257115698.db2.gz MJNPRSZRHIDFND-SZMVWBNQSA-N 1 0 324.428 2.344 10 0 DEAERO O=C(c1cscn1)N1CC[C@H]2C[N@H+](Cc3ccco3)C[C@H]2C1 ZINC000247850342 257115780 /nfs/dbraw/zinc/11/57/80/257115780.db2.gz INNXIFNAEPBVCL-STQMWFEESA-N 1 0 317.414 2.330 10 0 DEAERO Cc1nc(CN2C[C@@H]3COC[C@@]3(COCC3CC3)C2)cs1 ZINC000503718605 257208698 /nfs/dbraw/zinc/20/86/98/257208698.db2.gz HEZIFFOJIVQCHE-ZBFHGGJFSA-N 1 0 308.447 2.327 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)c(O)c2)C[C@@H]1CC ZINC000120995799 195276802 /nfs/dbraw/zinc/27/68/02/195276802.db2.gz OFJLMGXIEXNCIC-INIZCTEOSA-N 1 0 322.449 2.334 10 0 DEAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C1(C[NH3+])CC1 ZINC000121983385 195385573 /nfs/dbraw/zinc/38/55/73/195385573.db2.gz RHLRHQGZZBJHNO-JTQLQIEISA-N 1 0 311.223 2.235 10 0 DEAERO CC[C@H]1N[C@@H](c2ccsc2)N(CC2CC[NH+](C)CC2)C1=O ZINC000122021143 195390837 /nfs/dbraw/zinc/39/08/37/195390837.db2.gz JECWMPIWDILXGM-HUUCEWRRSA-N 1 0 307.463 2.299 10 0 DEAERO CC[NH2+]Cc1ccc(Br)cc1N(C)[C@@H](C)CO ZINC000122688629 195486873 /nfs/dbraw/zinc/48/68/73/195486873.db2.gz IQCVCXPMWYEOEA-JTQLQIEISA-N 1 0 301.228 2.376 10 0 DEAERO [NH3+][C@@H](c1ccccc1I)[C@H]1CCOC1 ZINC000127408171 195873816 /nfs/dbraw/zinc/87/38/16/195873816.db2.gz ZFROPDDJOAOWOP-GZMMTYOYSA-N 1 0 303.143 2.328 10 0 DEAERO O[C@@H](C[NH2+]CC1(O)CCC1)COc1ccc(Cl)c(Cl)c1 ZINC000127412374 195875273 /nfs/dbraw/zinc/87/52/73/195875273.db2.gz SVNHIZRNKMCYFW-JTQLQIEISA-N 1 0 320.216 2.238 10 0 DEAERO Cc1nc(N2CCN(c3ccc(Cl)cc3)CC2)cc(N)[nH+]1 ZINC000126491160 195844796 /nfs/dbraw/zinc/84/47/96/195844796.db2.gz GHSOQVFQSHQLTR-UHFFFAOYSA-N 1 0 303.797 2.347 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC([NH+](C)C)CC2)cc1 ZINC000127957337 195924275 /nfs/dbraw/zinc/92/42/75/195924275.db2.gz XISHAJPWFRRRSJ-CYBMUJFWSA-N 1 0 317.433 2.242 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(C)cc2C)CC1 ZINC000177083240 132524536 /nfs/dbraw/zinc/52/45/36/132524536.db2.gz AFGFOOQDBWNJPU-HNNXBMFYSA-N 1 0 305.422 2.224 10 0 DEAERO Cc1ccc(CCC(=O)N2CCC(OCCC[NH3+])CC2)cc1 ZINC000178203888 132533269 /nfs/dbraw/zinc/53/32/69/132533269.db2.gz XQKFCSJPYLAEBD-UHFFFAOYSA-N 1 0 304.434 2.284 10 0 DEAERO c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261930919 285520610 /nfs/dbraw/zinc/52/06/10/285520610.db2.gz LRSOFNUCDBZMPP-DDBAPUKQSA-N 1 0 316.445 2.299 10 0 DEAERO CC[C@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242590 542769865 /nfs/dbraw/zinc/76/98/65/542769865.db2.gz JKLLRCOUUPJYEQ-LRDDRELGSA-N 1 0 308.426 2.084 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCS[C@H](C(C)C)C2)CC1 ZINC000358197448 133127635 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COc1ccccc1/C(C)=C/C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248562054 145158580 /nfs/dbraw/zinc/15/85/80/145158580.db2.gz BASKABCZJTTYRP-ZFEBMQRGSA-N 1 0 300.402 2.294 10 0 DEAERO COc1cccc(/C(C)=C/C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000248600155 145160700 /nfs/dbraw/zinc/16/07/00/145160700.db2.gz IWZZQVABZPHAGT-CEDDZFRUSA-N 1 0 300.402 2.294 10 0 DEAERO C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000248649752 145163246 /nfs/dbraw/zinc/16/32/46/145163246.db2.gz RRDJLAVDCWWQGD-NWDGAFQWSA-N 1 0 312.335 2.372 10 0 DEAERO CCCCOC[C@@H](O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000248656076 145163460 /nfs/dbraw/zinc/16/34/60/145163460.db2.gz RAONSZQYCVNEIX-HKUYNNGSSA-N 1 0 319.445 2.338 10 0 DEAERO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000248683405 145163970 /nfs/dbraw/zinc/16/39/70/145163970.db2.gz QWCXYBBBNKPKEP-BMIGLBTASA-N 1 0 307.781 2.075 10 0 DEAERO CCOc1ccccc1CCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248695497 145164504 /nfs/dbraw/zinc/16/45/04/145164504.db2.gz YRBGTSPWRNKUDI-HRCADAONSA-N 1 0 302.418 2.214 10 0 DEAERO Cc1nnsc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248724507 145165449 /nfs/dbraw/zinc/16/54/49/145165449.db2.gz CUWUJBUSRNCLOH-OLZOCXBDSA-N 1 0 302.403 2.022 10 0 DEAERO O=C1[C@@H]([N@H+]2CCC[C@H]2CO)CCN1c1ccc(Cl)c(F)c1 ZINC000248746661 145166226 /nfs/dbraw/zinc/16/62/26/145166226.db2.gz NIQNDNCIRNGWGI-FZMZJTMJSA-N 1 0 312.772 2.041 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C/C=C/c2cccc(F)c2)[C@@H](C)C1 ZINC000248830539 145169229 /nfs/dbraw/zinc/16/92/29/145169229.db2.gz FEBFOFKLJRSEEX-PGXISHIXSA-N 1 0 320.408 2.143 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1C ZINC000248883173 145172129 /nfs/dbraw/zinc/17/21/29/145172129.db2.gz DODHYHKVUOBSCZ-DOMZBBRYSA-N 1 0 315.417 2.262 10 0 DEAERO C[C@@]1(CNC(=O)[C@H]2CCCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000249435960 145184414 /nfs/dbraw/zinc/18/44/14/145184414.db2.gz IPHGQEOUUVGYJG-AEFFLSMTSA-N 1 0 302.418 2.336 10 0 DEAERO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(Cl)cc2c1OCOC2 ZINC000249457503 145184908 /nfs/dbraw/zinc/18/49/08/145184908.db2.gz GJLHUJHLVYTDJA-LZXBYKIDSA-N 1 0 321.804 2.408 10 0 DEAERO COC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000249576796 145186881 /nfs/dbraw/zinc/18/68/81/145186881.db2.gz AHFPASWXBHKKFL-XJKSGUPXSA-N 1 0 307.390 2.209 10 0 DEAERO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249600944 145187792 /nfs/dbraw/zinc/18/77/92/145187792.db2.gz YEWBNWHWQAMBIY-AEGPPILISA-N 1 0 324.490 2.449 10 0 DEAERO CCc1nn(C)c(CC)c1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000253353657 145202112 /nfs/dbraw/zinc/20/21/12/145202112.db2.gz WIQCPWPNAUEKNS-UONOGXRCSA-N 1 0 320.481 2.029 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CC/C=C\c2ccccc2)C[C@H]1C ZINC000255008992 145203373 /nfs/dbraw/zinc/20/33/73/145203373.db2.gz ASRZUESETFXMEP-XRMLWCHGSA-N 1 0 316.445 2.394 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C/C=C\c2ccc(F)cc2)C[C@@H]1C ZINC000255881184 145205102 /nfs/dbraw/zinc/20/51/02/145205102.db2.gz ULSFOEVNBWSYRL-CGXNLCPXSA-N 1 0 320.408 2.143 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261573258 145208615 /nfs/dbraw/zinc/20/86/15/145208615.db2.gz VLRVZEBISQQOMN-GFCCVEGCSA-N 1 0 302.827 2.088 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000261604407 145210058 /nfs/dbraw/zinc/21/00/58/145210058.db2.gz QYXRTOSGVPGLRM-LLVKDONJSA-N 1 0 302.465 2.113 10 0 DEAERO CCCN(CC(=O)Nc1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC000261615137 145210700 /nfs/dbraw/zinc/21/07/00/145210700.db2.gz FQHXLTRMTPJDPA-UHFFFAOYSA-N 1 0 311.376 2.367 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2ccn(-c3c(F)cccc3F)n2)n1 ZINC000261627544 145211623 /nfs/dbraw/zinc/21/16/23/145211623.db2.gz CFQQDNJJIXQJFC-SECBINFHSA-N 1 0 319.315 2.351 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2cccc(Cl)c2F)CC[C@H]1[NH3+] ZINC000261660253 145214230 /nfs/dbraw/zinc/21/42/30/145214230.db2.gz DYSHSAUENRDYSM-LLVKDONJSA-N 1 0 320.817 2.227 10 0 DEAERO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261675637 145215465 /nfs/dbraw/zinc/21/54/65/145215465.db2.gz AITZVYWFQSGCAN-YGRLFVJLSA-N 1 0 312.360 2.318 10 0 DEAERO [NH3+]C1(C(=O)N2CC[C@@H](CSc3ccccc3)C2)CCOCC1 ZINC000261695731 145217513 /nfs/dbraw/zinc/21/75/13/145217513.db2.gz DNJVZLVLCPFMLM-CQSZACIVSA-N 1 0 320.458 2.135 10 0 DEAERO [NH3+]C1(C(=O)N2CC[C@H](CSc3ccccc3)C2)CCOCC1 ZINC000261695727 145217873 /nfs/dbraw/zinc/21/78/73/145217873.db2.gz DNJVZLVLCPFMLM-AWEZNQCLSA-N 1 0 320.458 2.135 10 0 DEAERO c1ccc(-c2nc(CN3CC[NH2+]C[C@H]3c3cccnc3)no2)cc1 ZINC000261713437 145219625 /nfs/dbraw/zinc/21/96/25/145219625.db2.gz KNQBSUWOPCZMJC-INIZCTEOSA-N 1 0 321.384 2.278 10 0 DEAERO COc1ccccc1NC(=O)CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000261717925 145219799 /nfs/dbraw/zinc/21/97/99/145219799.db2.gz LORMZAJYMJYLDM-CQSZACIVSA-N 1 0 311.385 2.024 10 0 DEAERO COc1ccccc1NC(=O)CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000261717921 145219912 /nfs/dbraw/zinc/21/99/12/145219912.db2.gz LORMZAJYMJYLDM-AWEZNQCLSA-N 1 0 311.385 2.024 10 0 DEAERO CC1(C)CN(C(=O)c2cnc(-c3ccncc3)s2)CC[C@@H]1[NH3+] ZINC000261774467 145224726 /nfs/dbraw/zinc/22/47/26/145224726.db2.gz FVAPKIVYAULEFU-ZDUSSCGKSA-N 1 0 316.430 2.405 10 0 DEAERO CCCOc1ccc([C@@H](C)NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261785020 145225894 /nfs/dbraw/zinc/22/58/94/145225894.db2.gz HUBHIGIFJKYESP-CYBMUJFWSA-N 1 0 306.406 2.161 10 0 DEAERO CCc1nn(C)c(CC)c1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261781692 145226034 /nfs/dbraw/zinc/22/60/34/145226034.db2.gz UAWZPYKOCHDAIZ-GOSISDBHSA-N 1 0 313.449 2.086 10 0 DEAERO Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C[C@@H](C)[NH3+])cc1 ZINC000261788240 145226420 /nfs/dbraw/zinc/22/64/20/145226420.db2.gz KBKNURBOJNVLJG-UKRRQHHQSA-N 1 0 306.406 2.231 10 0 DEAERO [NH3+]C[C@@H]1CN(Cc2ccn(C(F)F)n2)C[C@H]1c1ccccc1 ZINC000261792036 145226757 /nfs/dbraw/zinc/22/67/57/145226757.db2.gz VCRDFVWUVLCLAJ-HIFRSBDPSA-N 1 0 306.360 2.453 10 0 DEAERO [NH3+][C@H](C(=O)Nc1ccc2oc(C3CC3)nc2c1)C1CCOCC1 ZINC000261792958 145227371 /nfs/dbraw/zinc/22/73/71/145227371.db2.gz NQUFEDJGDOUCAW-HNNXBMFYSA-N 1 0 315.373 2.398 10 0 DEAERO C[C@@H]([NH3+])CC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000261812787 145228974 /nfs/dbraw/zinc/22/89/74/145228974.db2.gz HCBWCMJKGSMJHV-SSDOTTSWSA-N 1 0 314.176 2.250 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2ccccc2OC[C@@H]2CCCO2)n1 ZINC000261824510 145230467 /nfs/dbraw/zinc/23/04/67/145230467.db2.gz QURFBQLYQUOJHY-OLZOCXBDSA-N 1 0 317.389 2.445 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCN1c2ccccc2CC[C@H]1C ZINC000261820810 145230714 /nfs/dbraw/zinc/23/07/14/145230714.db2.gz NNFDMHVKCSIRFK-BZUAXINKSA-N 1 0 315.461 2.414 10 0 DEAERO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000261839482 145232568 /nfs/dbraw/zinc/23/25/68/145232568.db2.gz IQTPFVCFQRVCNF-INIZCTEOSA-N 1 0 319.424 2.253 10 0 DEAERO O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)c1cccc(Cl)c1 ZINC000261857104 145235113 /nfs/dbraw/zinc/23/51/13/145235113.db2.gz BSVCZDKNFLCIIL-QBPKDAKJSA-N 1 0 324.852 2.120 10 0 DEAERO Cc1cccc2oc(CCNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)nc21 ZINC000261868311 145235348 /nfs/dbraw/zinc/23/53/48/145235348.db2.gz XBBRXGWWKATIDW-STQMWFEESA-N 1 0 301.390 2.183 10 0 DEAERO CN(CCc1cccc2ccccc21)C(=O)C1([NH3+])CCOCC1 ZINC000261869748 145236447 /nfs/dbraw/zinc/23/64/47/145236447.db2.gz OBBGHLUCISYIBP-UHFFFAOYSA-N 1 0 312.413 2.349 10 0 DEAERO Cc1c(NC(=O)C2([NH3+])CCOCC2)cccc1C(F)(F)F ZINC000261887589 145237561 /nfs/dbraw/zinc/23/75/61/145237561.db2.gz QAFVQMYIQNGYTL-UHFFFAOYSA-N 1 0 302.296 2.460 10 0 DEAERO Cc1cccc(CN(C)C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261908718 145239937 /nfs/dbraw/zinc/23/99/37/145239937.db2.gz PWJBEEYRGWKSOU-FRQCXROJSA-N 1 0 316.445 2.486 10 0 DEAERO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261912202 145241004 /nfs/dbraw/zinc/24/10/04/145241004.db2.gz JEGINAMEVGPXIB-RCCFBDPRSA-N 1 0 304.434 2.332 10 0 DEAERO Cc1ccccc1CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261923196 145242899 /nfs/dbraw/zinc/24/28/99/145242899.db2.gz RXUMEMPZMYVMEZ-GPMSIDNRSA-N 1 0 316.445 2.186 10 0 DEAERO C[C@@]1(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC000261929166 145243489 /nfs/dbraw/zinc/24/34/89/145243489.db2.gz COXBLQUFPAYCFH-QGZVFWFLSA-N 1 0 321.852 2.097 10 0 DEAERO CC1(C)CN(C(=O)c2cc(=O)[nH]c3ccc(F)cc32)CC[C@H]1[NH3+] ZINC000261941652 145245031 /nfs/dbraw/zinc/24/50/31/145245031.db2.gz JKMNZSZVVGSSCK-CQSZACIVSA-N 1 0 317.364 2.279 10 0 DEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261951701 145246337 /nfs/dbraw/zinc/24/63/37/145246337.db2.gz PXELZSKPSXNBBV-IRXDYDNUSA-N 1 0 316.445 2.267 10 0 DEAERO c1nc(-c2ccncc2)sc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261962645 145247781 /nfs/dbraw/zinc/24/77/81/145247781.db2.gz HKWIQOSSPAFSTH-MRXNPFEDSA-N 1 0 300.431 2.391 10 0 DEAERO CC1(C)CCC[C@@H](CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000261973432 145248630 /nfs/dbraw/zinc/24/86/30/145248630.db2.gz BSDIHQOQNTZWNL-JKSUJKDBSA-N 1 0 307.482 2.099 10 0 DEAERO [NH3+][C@@H](C(=O)N1CCC[C@@H](Cc2ccccc2)C1)C1CCOCC1 ZINC000262003287 145252340 /nfs/dbraw/zinc/25/23/40/145252340.db2.gz NPUMZBNMUMJHHC-FUHWJXTLSA-N 1 0 316.445 2.222 10 0 DEAERO COc1ccc(OC)c(CCc2nc(C3([NH3+])CCC3)no2)c1 ZINC000262006336 145252741 /nfs/dbraw/zinc/25/27/41/145252741.db2.gz UPSBZGIMFRIPAS-UHFFFAOYSA-N 1 0 303.362 2.210 10 0 DEAERO CN(CCOc1ccccc1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262015883 145253627 /nfs/dbraw/zinc/25/36/27/145253627.db2.gz WZLKXQVWLZPOOB-OIISXLGYSA-N 1 0 302.418 2.445 10 0 DEAERO CN(CCOc1ccccc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262015884 145253791 /nfs/dbraw/zinc/25/37/91/145253791.db2.gz WZLKXQVWLZPOOB-UAGQMJEPSA-N 1 0 302.418 2.445 10 0 DEAERO [NH3+]CC1(C(=O)Nc2cccc(-c3cnco3)c2)CCOCC1 ZINC000262077534 145260155 /nfs/dbraw/zinc/26/01/55/145260155.db2.gz GUAAREYGZXVOPC-UHFFFAOYSA-N 1 0 301.346 2.036 10 0 DEAERO C[C@@]1(C[NH3+])CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000262093757 145260432 /nfs/dbraw/zinc/26/04/32/145260432.db2.gz UOOPSIXOWYVZDS-INIZCTEOSA-N 1 0 318.808 2.337 10 0 DEAERO CC1(C)CN(C(=O)c2ccn(-c3ccccc3F)n2)CC[C@H]1[NH3+] ZINC000262088262 145261060 /nfs/dbraw/zinc/26/10/60/145261060.db2.gz UFQXMQZTZBEMMN-OAHLLOKOSA-N 1 0 316.380 2.211 10 0 DEAERO CCCc1noc(CN2CC[NH2+]C[C@@H]2c2ccccc2OC)n1 ZINC000262135913 145265072 /nfs/dbraw/zinc/26/50/72/145265072.db2.gz DMGUWAARZCAZOR-CQSZACIVSA-N 1 0 316.405 2.177 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)C1 ZINC000262255721 145272031 /nfs/dbraw/zinc/27/20/31/145272031.db2.gz FDUORFVQJJRONV-MGPQQGTHSA-N 1 0 318.421 2.171 10 0 DEAERO COc1ccc(CCC2CCN(C(=O)[C@H](C)C[NH3+])CC2)cc1 ZINC000262284101 145273656 /nfs/dbraw/zinc/27/36/56/145273656.db2.gz XODSWBMTFRBSLQ-CQSZACIVSA-N 1 0 304.434 2.461 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000262301506 145275065 /nfs/dbraw/zinc/27/50/65/145275065.db2.gz KUJQRWSHGHTQRT-ZBEGNZNMSA-N 1 0 311.376 2.177 10 0 DEAERO C[NH2+]CCC(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000262332217 145277022 /nfs/dbraw/zinc/27/70/22/145277022.db2.gz DVQDWOCLZSQUKN-UHFFFAOYSA-N 1 0 300.406 2.221 10 0 DEAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1-n1cccn1 ZINC000262362692 145279280 /nfs/dbraw/zinc/27/92/80/145279280.db2.gz IWMGIDBXVFIZQA-KKUMJFAQSA-N 1 0 312.417 2.438 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000262790515 145304780 /nfs/dbraw/zinc/30/47/80/145304780.db2.gz ROEAUSOFEHEFKH-KWQFWETISA-N 1 0 323.245 2.270 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)CC[NH2+]1 ZINC000262443144 145284120 /nfs/dbraw/zinc/28/41/20/145284120.db2.gz TVPVRNMDXMEMLX-FPMFFAJLSA-N 1 0 318.421 2.041 10 0 DEAERO C[C@H](C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)C1C[NH2+]C1 ZINC000262478049 145286922 /nfs/dbraw/zinc/28/69/22/145286922.db2.gz ZDHDQIDOCYVFJF-LBPRGKRZSA-N 1 0 321.384 2.215 10 0 DEAERO COc1ccc(OC)c(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000262537332 145291366 /nfs/dbraw/zinc/29/13/66/145291366.db2.gz QMQKAMYEFLWBEK-HNNXBMFYSA-N 1 0 306.406 2.098 10 0 DEAERO C[C@H](C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1)C1C[NH2+]C1 ZINC000262564804 145293768 /nfs/dbraw/zinc/29/37/68/145293768.db2.gz RJGBIJADFBARGV-IACUBPJLSA-N 1 0 308.447 2.018 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1Sc1nccn1C)C1C[NH2+]C1 ZINC000262573842 145294175 /nfs/dbraw/zinc/29/41/75/145294175.db2.gz SRRSTYQRBUCWDU-NSHDSACASA-N 1 0 316.430 2.365 10 0 DEAERO COc1ccc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000262578533 145295048 /nfs/dbraw/zinc/29/50/48/145295048.db2.gz YPELCQZDIQDHKQ-HNNXBMFYSA-N 1 0 306.406 2.212 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000262589621 145295772 /nfs/dbraw/zinc/29/57/72/145295772.db2.gz QLYSPJDSPSKRFB-DVOMOZLQSA-N 1 0 315.417 2.011 10 0 DEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262606255 145295967 /nfs/dbraw/zinc/29/59/67/145295967.db2.gz BRGAGCBBQYTQGG-BBWFWOEESA-N 1 0 304.434 2.394 10 0 DEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262606259 145296015 /nfs/dbraw/zinc/29/60/15/145296015.db2.gz BRGAGCBBQYTQGG-ZACQAIPSSA-N 1 0 304.434 2.394 10 0 DEAERO COC(=O)C1(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC(C)CC1 ZINC000262618253 145296834 /nfs/dbraw/zinc/29/68/34/145296834.db2.gz HMDPUZUTNLYENJ-IOESOSGXSA-N 1 0 322.449 2.145 10 0 DEAERO Cc1ccc([C@H](O)CNC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000262649890 145298335 /nfs/dbraw/zinc/29/83/35/145298335.db2.gz URQGQSZBVDSDMP-WMLDXEAASA-N 1 0 304.434 2.170 10 0 DEAERO C[C@@H]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC12CCC2 ZINC000262827057 145307132 /nfs/dbraw/zinc/30/71/32/145307132.db2.gz RSANDTYOEMDNFF-HUUCEWRRSA-N 1 0 316.449 2.460 10 0 DEAERO CC(C)[C@@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263174534 145333219 /nfs/dbraw/zinc/33/32/19/145333219.db2.gz GCAAGDWKVIPXJX-LSDHHAIUSA-N 1 0 300.406 2.434 10 0 DEAERO COC1([C@@H](C)[NH2+]C[C@H](c2ccccc2)N(C)C)CCOCC1 ZINC000453054299 292136078 /nfs/dbraw/zinc/13/60/78/292136078.db2.gz HIIPEZBJMQNRHZ-NVXWUHKLSA-N 1 0 306.450 2.463 10 0 DEAERO CC(=O)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309812883 145351055 /nfs/dbraw/zinc/35/10/55/145351055.db2.gz XBMHPRCTAJRZST-OKZBNKHCSA-N 1 0 314.429 2.382 10 0 DEAERO CC/C=C\CC[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000342186395 145574293 /nfs/dbraw/zinc/57/42/93/145574293.db2.gz INJBLHGWOKPQOF-DDKKJVIOSA-N 1 0 318.461 2.400 10 0 DEAERO CC(C)c1nn(C)cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000344700562 145914010 /nfs/dbraw/zinc/91/40/10/145914010.db2.gz PHPIBDTVDYOHSU-AWEZNQCLSA-N 1 0 318.465 2.490 10 0 DEAERO COC1([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)CCOCC1 ZINC000453221901 292148259 /nfs/dbraw/zinc/14/82/59/292148259.db2.gz NSXIMIGKHKZNHH-DOTOQJQBSA-N 1 0 307.434 2.072 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C1CCCCCC1 ZINC000346636039 146114330 /nfs/dbraw/zinc/11/43/30/146114330.db2.gz NZCJKOUDLWRNDS-KGLIPLIRSA-N 1 0 302.484 2.216 10 0 DEAERO CC[C@@H](CN[C@H](C(=O)OC)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000358810135 147210562 /nfs/dbraw/zinc/21/05/62/147210562.db2.gz JLAYXYJAGGEVQD-ROUUACIJSA-N 1 0 316.445 2.365 10 0 DEAERO COC(=O)[C@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000358848772 147218419 /nfs/dbraw/zinc/21/84/19/147218419.db2.gz KTZKDRQNJLMFLZ-WMLDXEAASA-N 1 0 304.434 2.438 10 0 DEAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000359208642 147282533 /nfs/dbraw/zinc/28/25/33/147282533.db2.gz KAVPHVYDWNRLQL-MZMPZRCHSA-N 1 0 323.481 2.100 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360716430 147373477 /nfs/dbraw/zinc/37/34/77/147373477.db2.gz WKPVKRYZEYRBDY-ZDUSSCGKSA-N 1 0 315.421 2.046 10 0 DEAERO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000113305868 292180112 /nfs/dbraw/zinc/18/01/12/292180112.db2.gz JFTYEHIXZOKDOJ-LSDHHAIUSA-N 1 0 308.447 2.161 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000375264362 148349820 /nfs/dbraw/zinc/34/98/20/148349820.db2.gz YUBIGSIMESJPDJ-UONOGXRCSA-N 1 0 318.465 2.191 10 0 DEAERO CCOCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179569628 286074724 /nfs/dbraw/zinc/07/47/24/286074724.db2.gz DLQGOVSQCXXLIX-JKSUJKDBSA-N 1 0 305.422 2.110 10 0 DEAERO C[C@H](CNC(=O)N(C)C[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000111875820 401727124 /nfs/dbraw/zinc/72/71/24/401727124.db2.gz DYWWVGHMCMHJDF-WBVHZDCISA-N 1 0 319.449 2.327 10 0 DEAERO COCCOCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127421850 401733837 /nfs/dbraw/zinc/73/38/37/401733837.db2.gz TZQRCZLFBKBLJF-UHFFFAOYSA-N 1 0 306.175 2.341 10 0 DEAERO CCC[C@@H](CC)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112279522 401735716 /nfs/dbraw/zinc/73/57/16/401735716.db2.gz VIUNZNRZJLTVFF-OAHLLOKOSA-N 1 0 304.438 2.142 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CCC1=O ZINC000127476866 401737154 /nfs/dbraw/zinc/73/71/54/401737154.db2.gz KYRCFAXKIDORFS-JTQLQIEISA-N 1 0 315.186 2.299 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000074534533 401741785 /nfs/dbraw/zinc/74/17/85/401741785.db2.gz WMNYKTMLGJMZES-UHFFFAOYSA-N 1 0 321.469 2.022 10 0 DEAERO CCc1cnc(CCNC(=O)N2CC[NH+](CC(C)C)CC2)s1 ZINC000074841468 401744781 /nfs/dbraw/zinc/74/47/81/401744781.db2.gz ZXCAWLOOGTWLGY-UHFFFAOYSA-N 1 0 324.494 2.231 10 0 DEAERO C[NH+](C)CC[C@@H](NC(=O)c1cnn2c1CCCC2)C(C)(C)C ZINC000126941323 401714397 /nfs/dbraw/zinc/71/43/97/401714397.db2.gz JLTPPVQRVLCSLF-OAHLLOKOSA-N 1 0 306.454 2.316 10 0 DEAERO Cc1cc(C)n2c(CN3CC[NH+](C4CCCC4)CC3)cnc2n1 ZINC000126971160 401715364 /nfs/dbraw/zinc/71/53/64/401715364.db2.gz MPBXQXRWPPUMRP-UHFFFAOYSA-N 1 0 313.449 2.406 10 0 DEAERO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)C[C@@H](C)O1 ZINC000114495417 401802489 /nfs/dbraw/zinc/80/24/89/401802489.db2.gz QYYTWTDYFOYGKQ-NUJGCVRESA-N 1 0 306.450 2.445 10 0 DEAERO CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114495674 401802519 /nfs/dbraw/zinc/80/25/19/401802519.db2.gz SERIUQXOYBURFZ-GOSISDBHSA-N 1 0 322.449 2.268 10 0 DEAERO CCc1nnsc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000114680762 401805800 /nfs/dbraw/zinc/80/58/00/401805800.db2.gz RMBKFECYSRIYAY-ZDUSSCGKSA-N 1 0 318.446 2.003 10 0 DEAERO C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)N1CCO[C@H]2CCCC[C@@H]21 ZINC000114715947 401807241 /nfs/dbraw/zinc/80/72/41/401807241.db2.gz MCWCTGOGKOQFQX-MHORFTMASA-N 1 0 308.466 2.273 10 0 DEAERO Cc1nc2cccnc2n1-c1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000008592376 401753876 /nfs/dbraw/zinc/75/38/76/401753876.db2.gz QYROGVDAXBGBOM-UHFFFAOYSA-N 1 0 323.400 2.020 10 0 DEAERO CSC(C)(C)CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000075363424 401758693 /nfs/dbraw/zinc/75/86/93/401758693.db2.gz DEGIHULJDAWTHJ-UHFFFAOYSA-N 1 0 310.463 2.498 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(-c2ccco2)on1 ZINC000113227745 401772026 /nfs/dbraw/zinc/77/20/26/401772026.db2.gz QSXFJVITDHPGGU-VXGBXAGGSA-N 1 0 301.346 2.243 10 0 DEAERO Cc1ccc(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000113270062 401773872 /nfs/dbraw/zinc/77/38/72/401773872.db2.gz LYTONQBTULODCZ-RDJZCZTQSA-N 1 0 301.434 2.410 10 0 DEAERO CC[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CCCO1 ZINC000128438712 401777298 /nfs/dbraw/zinc/77/72/98/401777298.db2.gz ICDVXGMZUHJYEC-SSHXOBKSSA-N 1 0 311.470 2.364 10 0 DEAERO COCC[NH2+]CC[C@H]1CCC(=O)N1CCCc1ccccc1 ZINC000012041493 401778951 /nfs/dbraw/zinc/77/89/51/401778951.db2.gz ROOSNAODNHDJHW-QGZVFWFLSA-N 1 0 304.434 2.236 10 0 DEAERO CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128558119 401782711 /nfs/dbraw/zinc/78/27/11/401782711.db2.gz PTBYRDYTSBZBSE-ZDUSSCGKSA-N 1 0 301.438 2.268 10 0 DEAERO COc1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1F ZINC000113596045 401783403 /nfs/dbraw/zinc/78/34/03/401783403.db2.gz WGMPMMMUZHJMHI-GXTWGEPZSA-N 1 0 321.396 2.212 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000076298555 401789724 /nfs/dbraw/zinc/78/97/24/401789724.db2.gz AQIYBGCACGBOAI-WBVHZDCISA-N 1 0 304.434 2.453 10 0 DEAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@H](O)Cn3cccn3)C2)cc1 ZINC000076393749 401794261 /nfs/dbraw/zinc/79/42/61/401794261.db2.gz LKECWIRXPBIGAO-UAGQMJEPSA-N 1 0 315.417 2.131 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc3ccccc3n2)[C@H](C)C1 ZINC000076481182 401796086 /nfs/dbraw/zinc/79/60/86/401796086.db2.gz JNDZVZGFKFASPM-CXAGYDPISA-N 1 0 312.417 2.432 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000076487115 401796718 /nfs/dbraw/zinc/79/67/18/401796718.db2.gz YJDFNTMJRXGRSU-CJNGLKHVSA-N 1 0 318.417 2.276 10 0 DEAERO C[C@H](C[NH3+])[C@@H](O)c1ncc(Br)cc1Br ZINC000130187096 401821800 /nfs/dbraw/zinc/82/18/00/401821800.db2.gz APJQHZAQOZQHIR-MLUIRONXSA-N 1 0 324.016 2.235 10 0 DEAERO C[C@@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000115696497 401835520 /nfs/dbraw/zinc/83/55/20/401835520.db2.gz NDVRSTIRBRDMRK-BETUJISGSA-N 1 0 323.412 2.206 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](C[C@H](O)c3ccc(F)cc3F)C2)cn1 ZINC000116313748 401849287 /nfs/dbraw/zinc/84/92/87/401849287.db2.gz NDJKUWFJEGMBAQ-ZBEGNZNMSA-N 1 0 307.344 2.221 10 0 DEAERO COc1ccc(OC)c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116312963 401849640 /nfs/dbraw/zinc/84/96/40/401849640.db2.gz LFBOLBKUCDWNRO-ZDUSSCGKSA-N 1 0 301.390 2.427 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)c3c(F)cccc3F)C2)cn1 ZINC000116317475 401849644 /nfs/dbraw/zinc/84/96/44/401849644.db2.gz PKQGNFLQFQPIDU-ABAIWWIYSA-N 1 0 307.344 2.221 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)Nc2cc(CC)nn2C)CC1 ZINC000116509519 401853595 /nfs/dbraw/zinc/85/35/95/401853595.db2.gz PLXVAZYSYUWBPD-UHFFFAOYSA-N 1 0 307.442 2.226 10 0 DEAERO COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000116538057 401854465 /nfs/dbraw/zinc/85/44/65/401854465.db2.gz TYKQVYAVPJYYLP-OAHLLOKOSA-N 1 0 321.421 2.237 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2Cl)CCO1 ZINC000116783201 401858843 /nfs/dbraw/zinc/85/88/43/401858843.db2.gz YBZOKLNZTIHQHX-CYBMUJFWSA-N 1 0 324.852 2.407 10 0 DEAERO Cc1ccc(CCCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116793235 401859204 /nfs/dbraw/zinc/85/92/04/401859204.db2.gz KBZSRBPACUSZSV-KRWDZBQOSA-N 1 0 304.434 2.107 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc3c(s2)CCCCC3)CCO1 ZINC000116786304 401859228 /nfs/dbraw/zinc/85/92/28/401859228.db2.gz BSXIRHBHULBJKW-AWEZNQCLSA-N 1 0 322.474 2.420 10 0 DEAERO Cc1ccccc1[C@H](C)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117023041 401867120 /nfs/dbraw/zinc/86/71/20/401867120.db2.gz YOKCKVILYVFJHW-GJZGRUSLSA-N 1 0 305.422 2.028 10 0 DEAERO CCC1CCC(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000117039613 401867719 /nfs/dbraw/zinc/86/77/19/401867719.db2.gz GCDRGMVVCAJASC-GPANFISMSA-N 1 0 311.470 2.175 10 0 DEAERO CC[NH2+]CC[C@@H]1CCC(=O)N1C[C@H]1CCc2ccccc2O1 ZINC000014881162 401813827 /nfs/dbraw/zinc/81/38/27/401813827.db2.gz GOPOSVNTLXCAQN-JKSUJKDBSA-N 1 0 302.418 2.371 10 0 DEAERO COc1ccc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1O ZINC000079495849 401874508 /nfs/dbraw/zinc/87/45/08/401874508.db2.gz RLVCXUWFRBKTKQ-CQSZACIVSA-N 1 0 323.437 2.176 10 0 DEAERO CC[C@@H]1CN(C(=O)NCc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000117399047 401876251 /nfs/dbraw/zinc/87/62/51/401876251.db2.gz OUNMIGFCPAVBQT-QGZVFWFLSA-N 1 0 319.449 2.247 10 0 DEAERO CCC[N@H+](CC)CCNS(=O)(=O)c1c(F)cccc1Cl ZINC000132949030 401876792 /nfs/dbraw/zinc/87/67/92/401876792.db2.gz BSUZPTQUQLSRRE-UHFFFAOYSA-N 1 0 322.833 2.489 10 0 DEAERO CC[C@H]1CN(C(=O)NCc2cccc(F)c2)CC[N@@H+]1CCOC ZINC000117475262 401877810 /nfs/dbraw/zinc/87/78/10/401877810.db2.gz NJFIUTJKMUUJGI-INIZCTEOSA-N 1 0 323.412 2.078 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1C(C)C ZINC000117495198 401878394 /nfs/dbraw/zinc/87/83/94/401878394.db2.gz BVDSJTAIEHRLMF-HZPDHXFCSA-N 1 0 311.470 2.317 10 0 DEAERO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1c(F)cccc1Cl ZINC000133135508 401879141 /nfs/dbraw/zinc/87/91/41/401879141.db2.gz YPYTVACGFVTVSW-UHFFFAOYSA-N 1 0 322.833 2.440 10 0 DEAERO CC1(C)NC(=O)N(CC[N@H+]2CC=C(c3cccs3)CC2)C1=O ZINC000117894256 401887281 /nfs/dbraw/zinc/88/72/81/401887281.db2.gz CUQWRLZGSWGLKF-UHFFFAOYSA-N 1 0 319.430 2.168 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)[C@@H]1CCCO1 ZINC000035295711 401898049 /nfs/dbraw/zinc/89/80/49/401898049.db2.gz XKGWQNFWQXOGFJ-GDLCADMTSA-N 1 0 313.394 2.201 10 0 DEAERO C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000134155732 401899255 /nfs/dbraw/zinc/89/92/55/401899255.db2.gz IFNSVOROZODFKJ-HNNXBMFYSA-N 1 0 308.466 2.384 10 0 DEAERO CC(C)[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000043066807 401936442 /nfs/dbraw/zinc/93/64/42/401936442.db2.gz TWWCESGEQCLTEO-AWEZNQCLSA-N 1 0 304.438 2.390 10 0 DEAERO Cc1cc([C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)ccc1F ZINC000134862186 401917569 /nfs/dbraw/zinc/91/75/69/401917569.db2.gz HOGRYDHINYVKII-KRWDZBQOSA-N 1 0 320.408 2.376 10 0 DEAERO CCC[C@@](C)(CO)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000086369829 401922653 /nfs/dbraw/zinc/92/26/53/401922653.db2.gz IBGZOEXYOTZTEI-WMZOPIPTSA-N 1 0 321.465 2.010 10 0 DEAERO CCOc1ccccc1NC(=O)CCN1CCC([NH+](C)C)CC1 ZINC000134983938 401922670 /nfs/dbraw/zinc/92/26/70/401922670.db2.gz TWAKYAZNGBSXJV-UHFFFAOYSA-N 1 0 319.449 2.440 10 0 DEAERO C[C@@H]1CCC[C@H](C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000119475196 401953011 /nfs/dbraw/zinc/95/30/11/401953011.db2.gz ZPBUXSCBJUBKGI-SQNIBIBYSA-N 1 0 321.509 2.441 10 0 DEAERO Cc1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)ccc1-n1cncn1 ZINC000119484231 401953532 /nfs/dbraw/zinc/95/35/32/401953532.db2.gz CUKZYTGLVUGOJE-MRXNPFEDSA-N 1 0 323.404 2.004 10 0 DEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000119492091 401954511 /nfs/dbraw/zinc/95/45/11/401954511.db2.gz HBJMQIVMOPMCBA-KBPBESRZSA-N 1 0 315.421 2.175 10 0 DEAERO Cc1nc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)oc1C ZINC000119529969 401956859 /nfs/dbraw/zinc/95/68/59/401956859.db2.gz QNRHJDCIXBMYJO-SJPCQFCGSA-N 1 0 318.465 2.034 10 0 DEAERO O=C(/C=C/c1ccc(Cl)nc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000119557133 401959050 /nfs/dbraw/zinc/95/90/50/401959050.db2.gz JSLIBKGQKXMFEL-DYLGSBMWSA-N 1 0 305.809 2.445 10 0 DEAERO CC(C)c1cc(C(=O)N2CCC[C@H](Cc3nccn3C)C2)[nH]n1 ZINC000120672691 401997703 /nfs/dbraw/zinc/99/77/03/401997703.db2.gz SBVDDCSIENDTJM-CYBMUJFWSA-N 1 0 315.421 2.362 10 0 DEAERO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2ccc(O)cc2Cl)C1 ZINC000136167236 401961696 /nfs/dbraw/zinc/96/16/96/401961696.db2.gz DQWWUOOKBQRMRM-GFCCVEGCSA-N 1 0 310.825 2.436 10 0 DEAERO C[C@H](CO)N(C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119620315 401961937 /nfs/dbraw/zinc/96/19/37/401961937.db2.gz LLCUJBTUUREBKI-CRAIPNDOSA-N 1 0 319.449 2.063 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000136401196 401967210 /nfs/dbraw/zinc/96/72/10/401967210.db2.gz XOMPROHYYYZFLS-QGZVFWFLSA-N 1 0 318.461 2.289 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(CN2CCOC2=O)cc1)[NH+](C)C ZINC000137116523 401979141 /nfs/dbraw/zinc/97/91/41/401979141.db2.gz WTSPRTNVHGRUJG-OAHLLOKOSA-N 1 0 319.405 2.308 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccc2c(c1)OCO2 ZINC000090088382 401980146 /nfs/dbraw/zinc/98/01/46/401980146.db2.gz DDIFFWWBBOQVOC-SECBINFHSA-N 1 0 318.295 2.087 10 0 DEAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(OC)c2)C1 ZINC000090410226 401982000 /nfs/dbraw/zinc/98/20/00/401982000.db2.gz LXPNATOZXSBEBN-AAEUAGOBSA-N 1 0 309.385 2.289 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC000119305289 401940002 /nfs/dbraw/zinc/94/00/02/401940002.db2.gz XJNRHRJCCBAYGO-TZMCWYRMSA-N 1 0 324.856 2.402 10 0 DEAERO Cn1ccnc1-c1cc(NC(=O)c2cccc(C[NH+](C)C)c2)n[nH]1 ZINC000119393743 401947159 /nfs/dbraw/zinc/94/71/59/401947159.db2.gz DQTMGJXXRPXIPP-UHFFFAOYSA-N 1 0 324.388 2.124 10 0 DEAERO COC[C@](C)(CCO)[NH2+]CCOc1ccc(F)cc1Cl ZINC000091677374 401997188 /nfs/dbraw/zinc/99/71/88/401997188.db2.gz BGTJCCDUQCUAGK-AWEZNQCLSA-N 1 0 305.777 2.235 10 0 DEAERO Cc1noc(CCCC(=O)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000049072806 402011870 /nfs/dbraw/zinc/01/18/70/402011870.db2.gz ROGDEQGNMAYNOQ-UHFFFAOYSA-N 1 0 320.437 2.035 10 0 DEAERO CC(=O)c1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)n(C)c1 ZINC000049073607 402011918 /nfs/dbraw/zinc/01/19/18/402011918.db2.gz IOTBSGXGWVZDPK-UHFFFAOYSA-N 1 0 317.433 2.176 10 0 DEAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049129398 402013375 /nfs/dbraw/zinc/01/33/75/402013375.db2.gz FYLFDKPYFNOEST-JGVFFNPUSA-N 1 0 303.815 2.286 10 0 DEAERO O=[S@@](CC1CC[NH2+]CC1)c1nc2ccccc2nc1Cl ZINC000095069787 402024151 /nfs/dbraw/zinc/02/41/51/402024151.db2.gz FLABPVLUKIVUHA-HXUWFJFHSA-N 1 0 309.822 2.390 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccnc(Cl)n2)C1 ZINC000095083292 402024598 /nfs/dbraw/zinc/02/45/98/402024598.db2.gz VNLIIRYWIFXISK-LLVKDONJSA-N 1 0 312.801 2.229 10 0 DEAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)CCc2ncc(C)s2)C1 ZINC000121275181 402025131 /nfs/dbraw/zinc/02/51/31/402025131.db2.gz OSMUHROYDOJEEV-AWEZNQCLSA-N 1 0 324.494 2.367 10 0 DEAERO CCN(CC)C(=O)[C@H](C)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000151247871 402025994 /nfs/dbraw/zinc/02/59/94/402025994.db2.gz XZDZETCJAOXBCV-KBPBESRZSA-N 1 0 315.421 2.175 10 0 DEAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000050395465 402028087 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C[C@H]1C[C@H](N(C)C(=O)c2cc(-c3ccncc3)on2)CC[N@@H+]1C ZINC000123283749 402120081 /nfs/dbraw/zinc/12/00/81/402120081.db2.gz KNYIGTODTSMFSY-GXTWGEPZSA-N 1 0 314.389 2.291 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)NCC3(C4CC4)CC3)CC2)CCO1 ZINC000152336845 402090595 /nfs/dbraw/zinc/09/05/95/402090595.db2.gz IBTGBUSSBSAOOW-CQSZACIVSA-N 1 0 321.465 2.071 10 0 DEAERO C[C@@H](c1nc(-c2cccnc2)no1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152420648 402095547 /nfs/dbraw/zinc/09/55/47/402095547.db2.gz QPRGECHOGJIENJ-UONOGXRCSA-N 1 0 315.421 2.466 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(OC)c(F)c2)C1 ZINC000057825372 402096681 /nfs/dbraw/zinc/09/66/81/402096681.db2.gz NQEYABLZZDRSEF-CYBMUJFWSA-N 1 0 309.385 2.118 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)CSc1ccccc1C ZINC000152512816 402098953 /nfs/dbraw/zinc/09/89/53/402098953.db2.gz PHTPGXHYWSYWDZ-UHFFFAOYSA-N 1 0 310.463 2.172 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000122910173 402100659 /nfs/dbraw/zinc/10/06/59/402100659.db2.gz FUDDSQOVNKRYTP-AWEZNQCLSA-N 1 0 317.437 2.333 10 0 DEAERO Cc1nc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)no1 ZINC000123046585 402107604 /nfs/dbraw/zinc/10/76/04/402107604.db2.gz HCWPJJVDPBRXJA-OAHLLOKOSA-N 1 0 314.389 2.163 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2c2nccs2)CC[N@@H+]1C ZINC000123046451 402107910 /nfs/dbraw/zinc/10/79/10/402107910.db2.gz ADLUKWCEWRJZFF-MCIONIFRSA-N 1 0 322.478 2.053 10 0 DEAERO CCCc1noc(CCCC(=O)N2CCC[N@@H+](C3CC3)CC2)n1 ZINC000061604197 402108367 /nfs/dbraw/zinc/10/83/67/402108367.db2.gz DVIPPROIQVEEGK-UHFFFAOYSA-N 1 0 320.437 2.042 10 0 DEAERO O=C(NCCCOc1ccccc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061856119 402108858 /nfs/dbraw/zinc/10/88/58/402108858.db2.gz KLPLLMNZPSXHIZ-UHFFFAOYSA-N 1 0 317.433 2.335 10 0 DEAERO Cc1nn(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1Cl ZINC000123279561 402119261 /nfs/dbraw/zinc/11/92/61/402119261.db2.gz OWXXZVMGIKRTNI-ZWNOBZJWSA-N 1 0 312.845 2.094 10 0 DEAERO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC(CO)C2)c1 ZINC000122205719 402066267 /nfs/dbraw/zinc/06/62/67/402066267.db2.gz HDUQKXSOKVMCDN-UHFFFAOYSA-N 1 0 324.424 2.383 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2cccc(OC)c2)[C@H](C)C1 ZINC000122202866 402066599 /nfs/dbraw/zinc/06/65/99/402066599.db2.gz QTRAUHHMDZAYCF-RHSMWYFYSA-N 1 0 320.433 2.263 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1sccc1C ZINC000151962378 402068273 /nfs/dbraw/zinc/06/82/73/402068273.db2.gz RQRNRJXGLFBUFT-LSDHHAIUSA-N 1 0 321.490 2.231 10 0 DEAERO O=C(C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)N1CCCc2ccccc21 ZINC000153112933 402127658 /nfs/dbraw/zinc/12/76/58/402127658.db2.gz WUFJPEPXNXNUTE-SJLPKXTDSA-N 1 0 314.429 2.467 10 0 DEAERO CC[C@](C)(O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000123348180 402123339 /nfs/dbraw/zinc/12/33/39/402123339.db2.gz ZKNJYKLLFQOERN-KRWDZBQOSA-N 1 0 308.397 2.135 10 0 DEAERO COC(=O)c1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000153405842 402143628 /nfs/dbraw/zinc/14/36/28/402143628.db2.gz XFAWPCIPQBIJHW-CHWSQXEVSA-N 1 0 319.405 2.420 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(OC)nc1C ZINC000123813565 402147361 /nfs/dbraw/zinc/14/73/61/402147361.db2.gz QGUDJJAUOQEQQF-ZDUSSCGKSA-N 1 0 306.410 2.347 10 0 DEAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000101563227 402148795 /nfs/dbraw/zinc/14/87/95/402148795.db2.gz SVVTUDVFGXSBRP-GFCCVEGCSA-N 1 0 310.360 2.336 10 0 DEAERO CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261848683 286182044 /nfs/dbraw/zinc/18/20/44/286182044.db2.gz BAPVAQSQUGXCJF-IPMKNSEASA-N 1 0 318.461 2.470 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)CC2(O)CCCC2)CC1 ZINC000124517393 402183973 /nfs/dbraw/zinc/18/39/73/402183973.db2.gz NQICAUQVFYAEDT-UHFFFAOYSA-N 1 0 311.470 2.055 10 0 DEAERO COC[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000103432739 402187904 /nfs/dbraw/zinc/18/79/04/402187904.db2.gz CQXMZTVIPKHFEM-GFCCVEGCSA-N 1 0 314.376 2.138 10 0 DEAERO CC(=O)Nc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1F ZINC000068224458 402188359 /nfs/dbraw/zinc/18/83/59/402188359.db2.gz NDJFCJFXSWURDA-AWEZNQCLSA-N 1 0 323.412 2.490 10 0 DEAERO Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C4CC4)CC3)cc2)n1 ZINC000124920564 402203791 /nfs/dbraw/zinc/20/37/91/402203791.db2.gz DGXMZMAOAITSGU-UHFFFAOYSA-N 1 0 324.428 2.409 10 0 DEAERO C[NH+]1CCN(c2cc(C(=O)NC3CCCCCC3)ccn2)CC1 ZINC000068316109 402192655 /nfs/dbraw/zinc/19/26/55/402192655.db2.gz BXJHFSZICBNWKA-UHFFFAOYSA-N 1 0 316.449 2.286 10 0 DEAERO COc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1OC ZINC000124819412 402198527 /nfs/dbraw/zinc/19/85/27/402198527.db2.gz ACKVZFUPFCFRQV-OLZOCXBDSA-N 1 0 306.406 2.259 10 0 DEAERO CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCc3ncnn3C2)CC1 ZINC000124196237 402168411 /nfs/dbraw/zinc/16/84/11/402168411.db2.gz OUUYUBWYYIXGNI-JXQTWKCFSA-N 1 0 320.437 2.083 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000262927130 297107372 /nfs/dbraw/zinc/10/73/72/297107372.db2.gz ZVIBNTLUHLZKCB-YPMHNXCESA-N 1 0 304.438 2.243 10 0 DEAERO COc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000124277280 402172759 /nfs/dbraw/zinc/17/27/59/402172759.db2.gz WGGMXOFHDBGNDW-QWHCGFSZSA-N 1 0 306.406 2.259 10 0 DEAERO C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000124312803 402174410 /nfs/dbraw/zinc/17/44/10/402174410.db2.gz ADNXLJJYNBYUFV-DLXPNOHRSA-N 1 0 309.498 2.484 10 0 DEAERO Cc1ccn2ncc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c2n1 ZINC000068647005 402202981 /nfs/dbraw/zinc/20/29/81/402202981.db2.gz OWHDRHBZFLICKG-INIZCTEOSA-N 1 0 323.400 2.070 10 0 DEAERO CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000106379659 402213257 /nfs/dbraw/zinc/21/32/57/402213257.db2.gz JPUJPCGIUQUJLP-QGZVFWFLSA-N 1 0 304.434 2.427 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H](O)c1ccccc1 ZINC000106902521 402221177 /nfs/dbraw/zinc/22/11/77/402221177.db2.gz QLHATDOAICQWQB-MSOLQXFVSA-N 1 0 312.413 2.009 10 0 DEAERO C[C@@]1(CNC(=O)C2(O)CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000154846449 402235979 /nfs/dbraw/zinc/23/59/79/402235979.db2.gz SSOWIXGLKLWGMA-SFHVURJKSA-N 1 0 316.445 2.462 10 0 DEAERO CC(C)COc1ccc(CC[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000154849960 402236016 /nfs/dbraw/zinc/23/60/16/402236016.db2.gz LENFEBCFIWIDJT-UHFFFAOYSA-N 1 0 319.449 2.397 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000155023397 402242067 /nfs/dbraw/zinc/24/20/67/402242067.db2.gz WNXYTNDKKBEJSD-LVQVYYBASA-N 1 0 306.450 2.323 10 0 DEAERO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000155015684 402242161 /nfs/dbraw/zinc/24/21/61/402242161.db2.gz KZTNYTPUQRMVHT-HOCLYGCPSA-N 1 0 320.433 2.350 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000155126910 402245773 /nfs/dbraw/zinc/24/57/73/402245773.db2.gz LUDSZRIZOBSYSD-AWEZNQCLSA-N 1 0 317.364 2.282 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2csc(-c3ccoc3)n2)CCO1 ZINC000108373582 402252182 /nfs/dbraw/zinc/25/21/82/402252182.db2.gz YMXDXPXTFHHXEH-AWEZNQCLSA-N 1 0 307.419 2.166 10 0 DEAERO CC(C)c1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2cnccn2)n1 ZINC000070456311 402260315 /nfs/dbraw/zinc/26/03/15/402260315.db2.gz ZCHYOEVKBVIOCR-CYBMUJFWSA-N 1 0 312.421 2.469 10 0 DEAERO CCc1c(C)nc(-c2cnccn2)nc1NC[C@@H]1CCC[NH2+]C1 ZINC000070456319 402260348 /nfs/dbraw/zinc/26/03/48/402260348.db2.gz DPIUDONXGCIVJH-CYBMUJFWSA-N 1 0 312.421 2.216 10 0 DEAERO [NH3+][C@@H]1CCCN(c2ccc(-c3nc(-c4cccnc4)no3)cn2)C1 ZINC000070457847 402260906 /nfs/dbraw/zinc/26/09/06/402260906.db2.gz VSTJHBFZJBCBKE-CQSZACIVSA-N 1 0 322.372 2.121 10 0 DEAERO CN1CCO[C@H](CNC(=O)N(CC2CC2)C2CCCCC2)C1 ZINC000105283394 402207688 /nfs/dbraw/zinc/20/76/88/402207688.db2.gz XWTFUYBIZNTLAC-MRXNPFEDSA-N 1 0 309.454 2.071 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000105896413 402210580 /nfs/dbraw/zinc/21/05/80/402210580.db2.gz JQSOADUDEGXHAK-INIZCTEOSA-N 1 0 318.465 2.485 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Br)s2)C1 ZINC000070916210 402266971 /nfs/dbraw/zinc/26/69/71/402266971.db2.gz ZDEYCVLPYWUUCM-QMMMGPOBSA-N 1 0 303.225 2.287 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCn3ccnc32)CC1 ZINC000176073286 402276179 /nfs/dbraw/zinc/27/61/79/402276179.db2.gz ZCCFNVAYIAMGCA-AWEZNQCLSA-N 1 0 304.438 2.140 10 0 DEAERO C[C@H](O)CC(C)(C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000176083238 402276946 /nfs/dbraw/zinc/27/69/46/402276946.db2.gz GUJICJOQHDRWGF-GOEBONIOSA-N 1 0 306.450 2.073 10 0 DEAERO CC1(C)CCC(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000176319813 402299673 /nfs/dbraw/zinc/29/96/73/402299673.db2.gz HSJBKBOMVZDGNY-OAHLLOKOSA-N 1 0 323.481 2.319 10 0 DEAERO Cc1nn(C)cc1[C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000176351581 402301983 /nfs/dbraw/zinc/30/19/83/402301983.db2.gz SGSUXYINURXMSN-PRTUASRFSA-N 1 0 319.453 2.104 10 0 DEAERO Cc1cc2c(cc1C)[C@@H](C(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CO2 ZINC000184880994 402306273 /nfs/dbraw/zinc/30/62/73/402306273.db2.gz DYPUKQQRGKEOEE-ZBFHGGJFSA-N 1 0 300.402 2.086 10 0 DEAERO C[C@H](NC(=O)N(C)CC[NH+](C)C)c1cccc(-n2ccnc2)c1 ZINC000176425465 402307906 /nfs/dbraw/zinc/30/79/06/402307906.db2.gz JKUCKEPTHDQJEG-AWEZNQCLSA-N 1 0 315.421 2.136 10 0 DEAERO C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000158554854 402308086 /nfs/dbraw/zinc/30/80/86/402308086.db2.gz HMBHCGFAVVQTKL-YOEHRIQHSA-N 1 0 304.434 2.468 10 0 DEAERO CSCCCCC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176455096 402311066 /nfs/dbraw/zinc/31/10/66/402311066.db2.gz WIHFYQHMYKFVCL-CQSZACIVSA-N 1 0 316.511 2.071 10 0 DEAERO O=C(NCCc1cc(F)ccc1F)N1CC[NH+](CC2CC2)CC1 ZINC000176457893 402311106 /nfs/dbraw/zinc/31/11/06/402311106.db2.gz NPYGUBGCYRAZRH-UHFFFAOYSA-N 1 0 323.387 2.245 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCCOC2CCCC2)[C@@H](C)C1 ZINC000158952001 402314995 /nfs/dbraw/zinc/31/49/95/402314995.db2.gz UZAZYLWKKSCMPW-HOCLYGCPSA-N 1 0 311.470 2.364 10 0 DEAERO Cc1nn(C)c(C[NH2+]CC[C@@H]2CCOC2)c1Br ZINC000228730548 402340143 /nfs/dbraw/zinc/34/01/43/402340143.db2.gz SFMXWKSQSVAZKU-SNVBAGLBSA-N 1 0 302.216 2.007 10 0 DEAERO Cc1c(Br)cccc1NC(=O)C1([NH3+])CCOCC1 ZINC000229215194 402341368 /nfs/dbraw/zinc/34/13/68/402341368.db2.gz QRIBSNFRADHQDS-UHFFFAOYSA-N 1 0 313.195 2.204 10 0 DEAERO CC(=O)NC[C@H]1CN(c2c(C)c[nH+]c3c(C)cccc32)CCO1 ZINC000185310556 402342684 /nfs/dbraw/zinc/34/26/84/402342684.db2.gz BPTCMSGEPAETBW-HNNXBMFYSA-N 1 0 313.401 2.193 10 0 DEAERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000185320031 402343253 /nfs/dbraw/zinc/34/32/53/402343253.db2.gz FTQOWRNKNULLAI-STQMWFEESA-N 1 0 324.387 2.126 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000185329543 402343839 /nfs/dbraw/zinc/34/38/39/402343839.db2.gz OJQXNPXPQCURIU-MRXNPFEDSA-N 1 0 304.434 2.305 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000176905214 402348540 /nfs/dbraw/zinc/34/85/40/402348540.db2.gz OGJWSWKAEORJSG-INIZCTEOSA-N 1 0 317.433 2.185 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000236901374 402387475 /nfs/dbraw/zinc/38/74/75/402387475.db2.gz CPZSPKJSSQZDIR-OAHLLOKOSA-N 1 0 306.406 2.322 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c(C)s1 ZINC000176978351 402356528 /nfs/dbraw/zinc/35/65/28/402356528.db2.gz NUPSNQZYWAMVSJ-UHFFFAOYSA-N 1 0 323.443 2.405 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(NC(C)=O)cc1 ZINC000176994914 402357670 /nfs/dbraw/zinc/35/76/70/402357670.db2.gz JRCMCPDVMXGDFW-INIZCTEOSA-N 1 0 303.406 2.201 10 0 DEAERO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC000185644685 402366839 /nfs/dbraw/zinc/36/68/39/402366839.db2.gz QDFURAAJPHMDIZ-WCBMZHEXSA-N 1 0 320.359 2.190 10 0 DEAERO CC(=O)N1CCc2cc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000236593240 402367341 /nfs/dbraw/zinc/36/73/41/402367341.db2.gz OGZQAQKKIXOMMS-UONOGXRCSA-N 1 0 301.390 2.052 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000236636920 402370510 /nfs/dbraw/zinc/37/05/10/402370510.db2.gz KODXHTBHJOMSFA-HNNXBMFYSA-N 1 0 308.470 2.188 10 0 DEAERO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccccc1-n1cccn1 ZINC000177300090 402388511 /nfs/dbraw/zinc/38/85/11/402388511.db2.gz UDCMIGIBFBXWBG-CVEARBPZSA-N 1 0 314.433 2.244 10 0 DEAERO Cc1[nH]c(=S)sc1CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161123378 402374048 /nfs/dbraw/zinc/37/40/48/402374048.db2.gz KMUFBHQMQYCIAV-GXSJLCMTSA-N 1 0 313.492 2.128 10 0 DEAERO CCOc1cccc(NC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)c1 ZINC000177141172 402374288 /nfs/dbraw/zinc/37/42/88/402374288.db2.gz SQOLZWVNVMAHCO-HNNXBMFYSA-N 1 0 321.421 2.006 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CCO2 ZINC000177151269 402375546 /nfs/dbraw/zinc/37/55/46/402375546.db2.gz XEVKUDMMNRJMTO-SWLSCSKDSA-N 1 0 301.390 2.322 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000177209109 402381305 /nfs/dbraw/zinc/38/13/05/402381305.db2.gz GDUAUVJSTYDRGP-FZMZJTMJSA-N 1 0 323.824 2.123 10 0 DEAERO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccccc1Cl ZINC000226463384 402328236 /nfs/dbraw/zinc/32/82/36/402328236.db2.gz PLJKOYFLGSPOFK-LLVKDONJSA-N 1 0 302.827 2.103 10 0 DEAERO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000227971147 402334597 /nfs/dbraw/zinc/33/45/97/402334597.db2.gz WRDZQEYXZLCCPA-NOZJJQNGSA-N 1 0 318.186 2.218 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[NH+](C)C ZINC000161656479 402394661 /nfs/dbraw/zinc/39/46/61/402394661.db2.gz ZCRMNSOYJNGMRQ-MRXNPFEDSA-N 1 0 307.438 2.296 10 0 DEAERO CCOc1ccc(OCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000237095324 402395033 /nfs/dbraw/zinc/39/50/33/402395033.db2.gz DAROBOBRSPTVRJ-YIONKMFJSA-N 1 0 318.417 2.206 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)c(OC)cc2F)C1 ZINC000177409117 402399527 /nfs/dbraw/zinc/39/95/27/402399527.db2.gz LQEWFVTWWKBQQO-LLVKDONJSA-N 1 0 310.369 2.057 10 0 DEAERO CN(C(=O)CSc1ccc(O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237210759 402399999 /nfs/dbraw/zinc/39/99/99/402399999.db2.gz AKQIVJAGNFTEMB-FUNVUKJBSA-N 1 0 306.431 2.226 10 0 DEAERO COc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c(OC)c1OC ZINC000237334412 402404620 /nfs/dbraw/zinc/40/46/20/402404620.db2.gz CKCXDUDAYOASCJ-GHMZBOCLSA-N 1 0 308.378 2.168 10 0 DEAERO NC(=O)[C@@H]([NH2+]CCc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000177471031 402406165 /nfs/dbraw/zinc/40/61/65/402406165.db2.gz NSAKDJBWVAFNTR-HNNXBMFYSA-N 1 0 308.303 2.463 10 0 DEAERO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000177473567 402406527 /nfs/dbraw/zinc/40/65/27/402406527.db2.gz OMYLEVODDVPQEC-QWQRMKEZSA-N 1 0 318.417 2.137 10 0 DEAERO CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000162043743 402407618 /nfs/dbraw/zinc/40/76/18/402407618.db2.gz WAILWTFDPVZZSU-GJZGRUSLSA-N 1 0 315.454 2.218 10 0 DEAERO O[C@@H](COC[C@@H]1CCCO1)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186212058 402410791 /nfs/dbraw/zinc/41/07/91/402410791.db2.gz JNKSPNSIJUXNAE-SJORKVTESA-N 1 0 317.429 2.090 10 0 DEAERO C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)C1CCCC1 ZINC000177513268 402411106 /nfs/dbraw/zinc/41/11/06/402411106.db2.gz IFJVMUDZZROHGM-CQSZACIVSA-N 1 0 309.454 2.071 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCOCc1ccccc1 ZINC000177577491 402417446 /nfs/dbraw/zinc/41/74/46/402417446.db2.gz NHYMOXXCFNBWTC-KRWDZBQOSA-N 1 0 319.449 2.329 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(F)c2)C12CCOCC2 ZINC000186282591 402417887 /nfs/dbraw/zinc/41/78/87/402417887.db2.gz WPQHGUKTRWSKAQ-GVDBMIGSSA-N 1 0 323.408 2.423 10 0 DEAERO Cc1ccc(N2CCC([NH2+][C@@H]3CCN(C)[C@H](C)C3)CC2)nc1 ZINC000163454371 402450500 /nfs/dbraw/zinc/45/05/00/402450500.db2.gz FKNGOKXCQXWAFS-NVXWUHKLSA-N 1 0 302.466 2.431 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]CCc2ccccc2O)C12CCOCC2 ZINC000186307108 402419400 /nfs/dbraw/zinc/41/94/00/402419400.db2.gz XIZCDYMICYBQSY-IRXDYDNUSA-N 1 0 305.418 2.499 10 0 DEAERO O=C(COc1ccc(F)c(Cl)c1)NCC[C@H]1CCC[NH2+]C1 ZINC000237764970 402420251 /nfs/dbraw/zinc/42/02/51/402420251.db2.gz JFNJIJJBLMQCNH-LLVKDONJSA-N 1 0 314.788 2.364 10 0 DEAERO Cc1cc(CCCC(=O)NC[C@H]2CN(C)CCO2)c(C)s1 ZINC000177628941 402421506 /nfs/dbraw/zinc/42/15/06/402421506.db2.gz AYHKQIXTBWIUSG-HNNXBMFYSA-N 1 0 310.463 2.134 10 0 DEAERO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000186349117 402423792 /nfs/dbraw/zinc/42/37/92/402423792.db2.gz 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Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NC(C)(C)C)cc1F ZINC000181361112 402642945 /nfs/dbraw/zinc/64/29/45/402642945.db2.gz JBUBCLQJMMIDIS-LLVKDONJSA-N 1 0 309.385 2.409 10 0 DEAERO COC[C@H](C)CNc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000249987400 402644036 /nfs/dbraw/zinc/64/40/36/402644036.db2.gz ZHGMLYBBCDOEBD-GDBMZVCRSA-N 1 0 319.449 2.078 10 0 DEAERO CCOc1ccc(OC[C@H](O)C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)cc1 ZINC000191177325 402648651 /nfs/dbraw/zinc/64/86/51/402648651.db2.gz LHPBWDWTPLPOEK-OFQRWUPVSA-N 1 0 323.433 2.059 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NO[C@H]2CCCCO2)[C@@H]1c1ccccc1 ZINC000251890552 402650644 /nfs/dbraw/zinc/65/06/44/402650644.db2.gz WXWKPQNWPFCZEB-JYJNAYRXSA-N 1 0 319.405 2.189 10 0 DEAERO C[C@@H]1CSCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000191256745 402655125 /nfs/dbraw/zinc/65/51/25/402655125.db2.gz DZYHKGHGIUTJTI-GOEBONIOSA-N 1 0 306.475 2.371 10 0 DEAERO [NH3+]CC1(C(=O)N2CC3(CCC3)c3c2cccc3F)CCOCC1 ZINC000262019254 402721205 /nfs/dbraw/zinc/72/12/05/402721205.db2.gz WKQXZNNAHWWHFF-UHFFFAOYSA-N 1 0 318.392 2.350 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(CO)cc2)C[C@@H]1CC ZINC000182752013 402714130 /nfs/dbraw/zinc/71/41/30/402714130.db2.gz LGVDTJJKKOJYHM-SFHVURJKSA-N 1 0 306.450 2.112 10 0 DEAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000173885827 402716817 /nfs/dbraw/zinc/71/68/17/402716817.db2.gz HMKMLPSLRAVLLS-UWVGGRQHSA-N 1 0 322.883 2.409 10 0 DEAERO O=C1O[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC12CCC2 ZINC000192204369 402717363 /nfs/dbraw/zinc/71/73/63/402717363.db2.gz XBNICERPAYVFHN-ZNMIVQPWSA-N 1 0 303.406 2.442 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NCC[C@@H]1CCCCO1 ZINC000182807367 402718242 /nfs/dbraw/zinc/71/82/42/402718242.db2.gz QLUAGNQHRRCPMC-HNNXBMFYSA-N 1 0 320.433 2.316 10 0 DEAERO COc1cc2c(cc1C[NH2+]CC[C@H](C)[S@](C)=O)O[C@H](C)C2 ZINC000252711296 402660819 /nfs/dbraw/zinc/66/08/19/402660819.db2.gz JEBUFYQRDAUQBC-IDFMNXDXSA-N 1 0 311.447 2.265 10 0 DEAERO CC(C)[C@@H](C)CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172531225 402661088 /nfs/dbraw/zinc/66/10/88/402661088.db2.gz ZYLKKSGDOJCQMF-ZDUSSCGKSA-N 1 0 305.422 2.095 10 0 DEAERO CCOc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000182023462 402664092 /nfs/dbraw/zinc/66/40/92/402664092.db2.gz BVWOFCNLRIUDQX-AWEZNQCLSA-N 1 0 318.421 2.430 10 0 DEAERO COc1cccc([C@H]2[C@@H](NC(=O)NC3CC3)CC[N@@H+]2C2CC2)c1 ZINC000182127495 402668284 /nfs/dbraw/zinc/66/82/84/402668284.db2.gz SBMNIRMEMZJGEV-IRXDYDNUSA-N 1 0 315.417 2.435 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC000172728070 402672183 /nfs/dbraw/zinc/67/21/83/402672183.db2.gz ZFAGRINUZITZPA-HZPDHXFCSA-N 1 0 324.465 2.204 10 0 DEAERO CC(C)[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(F)c(F)c1 ZINC000182224095 402673920 /nfs/dbraw/zinc/67/39/20/402673920.db2.gz WAMPRLDDZFZYCV-HNNXBMFYSA-N 1 0 322.359 2.405 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)[C@@H]1C ZINC000172803362 402676486 /nfs/dbraw/zinc/67/64/86/402676486.db2.gz GKYJLTZQLAXCIX-VQHPVUNQSA-N 1 0 307.482 2.097 10 0 DEAERO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172803575 402676651 /nfs/dbraw/zinc/67/66/51/402676651.db2.gz GOWNOVGIXUSFGY-YYIAUSFCSA-N 1 0 307.482 2.050 10 0 DEAERO O[C@@H](CSC[C@@H]1CCCO1)C[N@@H+]1CCc2ccccc2C1 ZINC000191610521 402681387 /nfs/dbraw/zinc/68/13/87/402681387.db2.gz JVMBSFIJODCBAX-SJORKVTESA-N 1 0 307.459 2.318 10 0 DEAERO c1csc(-c2nc(CN3CC[C@@H](N4CCOCC4)C3)co2)c1 ZINC000173934187 402719869 /nfs/dbraw/zinc/71/98/69/402719869.db2.gz BZUSYPKXVRMMKC-CQSZACIVSA-N 1 0 319.430 2.310 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(=O)OC(C)(C)C)cc1F ZINC000182445003 402690754 /nfs/dbraw/zinc/69/07/54/402690754.db2.gz UCXLGVGQFMKMPG-LBPRGKRZSA-N 1 0 324.396 2.243 10 0 DEAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000191993009 402703100 /nfs/dbraw/zinc/70/31/00/402703100.db2.gz VSITUUYQNBIKEP-GHMZBOCLSA-N 1 0 314.788 2.444 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)[C@H]1C ZINC000262534882 402726839 /nfs/dbraw/zinc/72/68/39/402726839.db2.gz QFDVHGYPMUONGC-BLDBCPBVSA-N 1 0 308.466 2.460 10 0 DEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262579232 402727085 /nfs/dbraw/zinc/72/70/85/402727085.db2.gz YQKXFFZVOJJTRG-VPKNTQAGSA-N 1 0 308.466 2.461 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C)n1 ZINC000174149846 402729225 /nfs/dbraw/zinc/72/92/25/402729225.db2.gz KZHWYGIVJPWHBJ-HZPDHXFCSA-N 1 0 302.422 2.158 10 0 DEAERO C[C@@H]1C[N@@H+](CCCNC(=O)NCCC2CCCC2)C[C@H](C)O1 ZINC000192475209 402731461 /nfs/dbraw/zinc/73/14/61/402731461.db2.gz KTTQAHVZFJLMSI-GASCZTMLSA-N 1 0 311.470 2.365 10 0 DEAERO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)C[C@H]2C1 ZINC000192530973 402735467 /nfs/dbraw/zinc/73/54/67/402735467.db2.gz YBKAQMGUDVSAKD-XJFOESAGSA-N 1 0 306.356 2.088 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000192536632 402735754 /nfs/dbraw/zinc/73/57/54/402735754.db2.gz CGJOERJNABEUKW-KRWDZBQOSA-N 1 0 300.406 2.029 10 0 DEAERO CN1CCO[C@@H](CNC(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000183071913 402736420 /nfs/dbraw/zinc/73/64/20/402736420.db2.gz YCJQAXPYVSJIIC-BPCQOVAHSA-N 1 0 322.371 2.192 10 0 DEAERO CC(C)NC(=O)CC[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000183599853 402780653 /nfs/dbraw/zinc/78/06/53/402780653.db2.gz ZHSQSURQUPKSKH-CQSZACIVSA-N 1 0 300.406 2.438 10 0 DEAERO Cn1c2ccc(C[NH2+]C[C@@H]3CCC[C@@H](O)C3)cc2sc1=O ZINC000192593045 402739393 /nfs/dbraw/zinc/73/93/93/402739393.db2.gz IHQPSIXHNMOSJF-DGCLKSJQSA-N 1 0 306.431 2.241 10 0 DEAERO OCc1ccc(C[NH2+]CCc2csc(N3CCCC3)n2)o1 ZINC000174406703 402739432 /nfs/dbraw/zinc/73/94/32/402739432.db2.gz VYVKZJNYPHXQFW-UHFFFAOYSA-N 1 0 307.419 2.161 10 0 DEAERO O=C(Nc1cnn(CC2CC2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000174449405 402741704 /nfs/dbraw/zinc/74/17/04/402741704.db2.gz UYMXAINRAPWLNK-INIZCTEOSA-N 1 0 317.437 2.385 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc([C@]2(C)CCCc3ccccc32)n1 ZINC000263250913 402750719 /nfs/dbraw/zinc/75/07/19/402750719.db2.gz PWFNIGLJPVNYIY-MAUKXSAKSA-N 1 0 312.417 2.288 10 0 DEAERO CCc1nnc([C@@H]2CN(Cc3cc(F)ccc3C)CCO2)[nH]1 ZINC000183261825 402751127 /nfs/dbraw/zinc/75/11/27/402751127.db2.gz CADVYCCCKUDHKC-AWEZNQCLSA-N 1 0 304.369 2.388 10 0 DEAERO CS[C@@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263275995 402753207 /nfs/dbraw/zinc/75/32/07/402753207.db2.gz SWFIFPHKCLURES-QWHCGFSZSA-N 1 0 304.419 2.098 10 0 DEAERO COc1cc(C[NH2+]CCCCCO)cc(Br)c1O ZINC000192900610 402755878 /nfs/dbraw/zinc/75/58/78/402755878.db2.gz HJOZNNKEPWUPPR-UHFFFAOYSA-N 1 0 318.211 2.416 10 0 DEAERO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183348825 402759289 /nfs/dbraw/zinc/75/92/89/402759289.db2.gz MIOUSEQAXQBDJC-GUTXKFCHSA-N 1 0 307.390 2.457 10 0 DEAERO CCO[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C12CCCCC2 ZINC000177621940 286263170 /nfs/dbraw/zinc/26/31/70/286263170.db2.gz GWONHEWGXRSZRZ-ARFHVFGLSA-N 1 0 323.481 2.460 10 0 DEAERO O[C@@H](CNCc1cnc(-c2ccco2)s1)C[NH+]1CCCCC1 ZINC000193037056 402761667 /nfs/dbraw/zinc/76/16/67/402761667.db2.gz GYDUJDNXWMLWME-ZDUSSCGKSA-N 1 0 321.446 2.340 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)c2ccccc2)CC1 ZINC000183432359 402766954 /nfs/dbraw/zinc/76/69/54/402766954.db2.gz OWRYTBVTMBSKFG-HOTGVXAUSA-N 1 0 318.461 2.341 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COCc1ccccc1 ZINC000174992968 402769617 /nfs/dbraw/zinc/76/96/17/402769617.db2.gz OHOXGLNOCBCYJQ-DLBZAZTESA-N 1 0 302.418 2.288 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000175029861 402773084 /nfs/dbraw/zinc/77/30/84/402773084.db2.gz CBNJVXXRPHQRDG-QWHCGFSZSA-N 1 0 304.438 2.406 10 0 DEAERO C[N@H+](CC(=O)NCCN1CCc2ccccc21)C1CCCC1 ZINC000193715198 402775752 /nfs/dbraw/zinc/77/57/52/402775752.db2.gz HJISEQHIHLBDAB-UHFFFAOYSA-N 1 0 301.434 2.040 10 0 DEAERO CC(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000184452514 402844677 /nfs/dbraw/zinc/84/46/77/402844677.db2.gz OCIWVUGEKBDIQV-GJZGRUSLSA-N 1 0 315.454 2.216 10 0 DEAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCc1ccsc1 ZINC000175313517 402796290 /nfs/dbraw/zinc/79/62/90/402796290.db2.gz KYPRBRKSKUYTHK-HNNXBMFYSA-N 1 0 310.463 2.200 10 0 DEAERO CN(C)c1ncccc1CNC(=O)CCOCc1ccccc1 ZINC000194440719 402797655 /nfs/dbraw/zinc/79/76/55/402797655.db2.gz FDEHXICKTMAWIL-UHFFFAOYSA-N 1 0 313.401 2.371 10 0 DEAERO COc1ccc(CCCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000194524402 402801556 /nfs/dbraw/zinc/80/15/56/402801556.db2.gz ALTQFNZXSSJVBE-MRXNPFEDSA-N 1 0 302.418 2.325 10 0 DEAERO CC1(C)CN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CC[NH2+]1 ZINC000175391762 402802666 /nfs/dbraw/zinc/80/26/66/402802666.db2.gz RZTPNVCUSVRUKL-UHFFFAOYSA-N 1 0 318.808 2.350 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000175392915 402802702 /nfs/dbraw/zinc/80/27/02/402802702.db2.gz YUTDBFCACJROOB-ZDUSSCGKSA-N 1 0 316.854 2.445 10 0 DEAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000175414614 402804713 /nfs/dbraw/zinc/80/47/13/402804713.db2.gz IDPXQAJHNVOGSO-HOCLYGCPSA-N 1 0 311.470 2.101 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(NC(=O)OC)cc2)C1 ZINC000194653360 402807997 /nfs/dbraw/zinc/80/79/97/402807997.db2.gz WNSLHZKFLIRXMP-AWEZNQCLSA-N 1 0 305.378 2.079 10 0 DEAERO COC[C@H](C)CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000194671697 402809091 /nfs/dbraw/zinc/80/90/91/402809091.db2.gz POUQMDPXGDEGIR-OAHLLOKOSA-N 1 0 319.449 2.364 10 0 DEAERO Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194705726 402811716 /nfs/dbraw/zinc/81/17/16/402811716.db2.gz YHDIUWRUWLLKLU-JTQLQIEISA-N 1 0 301.312 2.233 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000194721932 402812502 /nfs/dbraw/zinc/81/25/02/402812502.db2.gz ZUQLREJHQNKVCI-KRWDZBQOSA-N 1 0 312.417 2.015 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000194717883 402812707 /nfs/dbraw/zinc/81/27/07/402812707.db2.gz ZFULYQQBQCTJFP-KRWDZBQOSA-N 1 0 314.429 2.349 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc2nc(C)cc(C)n12 ZINC000184053369 402814612 /nfs/dbraw/zinc/81/46/12/402814612.db2.gz HHIVQJXQKWLMTR-HZPDHXFCSA-N 1 0 313.449 2.405 10 0 DEAERO [NH3+]CCc1nc(C(=O)N2CCC[C@H](c3nccs3)C2)cs1 ZINC000194833495 402817481 /nfs/dbraw/zinc/81/74/81/402817481.db2.gz OZXIXJFCGZLWTH-JTQLQIEISA-N 1 0 322.459 2.121 10 0 DEAERO CCOc1cccnc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000175930777 402843733 /nfs/dbraw/zinc/84/37/33/402843733.db2.gz LZORJDFAKBQAJH-UHFFFAOYSA-N 1 0 305.422 2.332 10 0 DEAERO Cc1ccc(CC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)s1 ZINC000184196353 402825919 /nfs/dbraw/zinc/82/59/19/402825919.db2.gz VNCGGTLGVQCJNE-UHFFFAOYSA-N 1 0 323.506 2.131 10 0 DEAERO CCCc1noc(CCCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000195051453 402829174 /nfs/dbraw/zinc/82/91/74/402829174.db2.gz RHJMJCYXMIGQAU-AWEZNQCLSA-N 1 0 320.437 2.042 10 0 DEAERO Cc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)nc1 ZINC000184245875 402830278 /nfs/dbraw/zinc/83/02/78/402830278.db2.gz MKIIITOYMXHQEE-AWEZNQCLSA-N 1 0 318.421 2.107 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000175773795 402831185 /nfs/dbraw/zinc/83/11/85/402831185.db2.gz OQEHQWSTWHEKFK-HOCLYGCPSA-N 1 0 321.469 2.096 10 0 DEAERO CCCCn1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c(C)n1 ZINC000184278298 402832748 /nfs/dbraw/zinc/83/27/48/402832748.db2.gz JAQCHLAEUMQNCB-UHFFFAOYSA-N 1 0 304.438 2.302 10 0 DEAERO CNC(=O)[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)C(C)C ZINC000183679874 402788099 /nfs/dbraw/zinc/78/80/99/402788099.db2.gz CBDAOXDSTMLBBK-ZDUSSCGKSA-N 1 0 318.339 2.488 10 0 DEAERO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506352 402848222 /nfs/dbraw/zinc/84/82/22/402848222.db2.gz JLUQMZCSIXPRGY-CYBMUJFWSA-N 1 0 304.438 2.427 10 0 DEAERO COc1cccc(/C(C)=C/C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000176014105 402848422 /nfs/dbraw/zinc/84/84/22/402848422.db2.gz WGNIEHLBXQDBNM-UKYUDJEDSA-N 1 0 300.402 2.405 10 0 DEAERO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515907 402848735 /nfs/dbraw/zinc/84/87/35/402848735.db2.gz SIVTTZCUNSJKGQ-HUUCEWRRSA-N 1 0 304.438 2.072 10 0 DEAERO CCCCn1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(C)n1 ZINC000184524950 402848886 /nfs/dbraw/zinc/84/88/86/402848886.db2.gz MPKLHNZKYIKBON-ZFWWWQNUSA-N 1 0 304.438 2.300 10 0 DEAERO Cc1nc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c(C)s1 ZINC000274062171 403029114 /nfs/dbraw/zinc/02/91/14/403029114.db2.gz ROGCGUMLXPDBSO-WDEREUQCSA-N 1 0 306.391 2.346 10 0 DEAERO CCOC(=O)C1(O)CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000266681561 402983559 /nfs/dbraw/zinc/98/35/59/402983559.db2.gz ASBZCUGOODHCAP-UHFFFAOYSA-N 1 0 314.385 2.438 10 0 DEAERO CC[N@H+](CCO)CCNc1ncnc2c3ccccc3oc21 ZINC000274375502 403049394 /nfs/dbraw/zinc/04/93/94/403049394.db2.gz HPUNBBKQEZLKAE-UHFFFAOYSA-N 1 0 300.362 2.102 10 0 DEAERO COCCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000276018011 403139739 /nfs/dbraw/zinc/13/97/39/403139739.db2.gz QNXHGOXPNREAKG-QGZVFWFLSA-N 1 0 319.449 2.321 10 0 DEAERO O[C@@H](C[NH2+]Cc1c(Cl)cccc1Cl)Cn1cccn1 ZINC000566791956 292268311 /nfs/dbraw/zinc/26/83/11/292268311.db2.gz HGHYCAHVTQZIQN-JTQLQIEISA-N 1 0 300.189 2.341 10 0 DEAERO c1c(C[NH2+]CCCOCCc2ccccc2)nc2ncccn12 ZINC000298242641 403340095 /nfs/dbraw/zinc/34/00/95/403340095.db2.gz CLTUMOZSRFMKJK-UHFFFAOYSA-N 1 0 310.401 2.468 10 0 DEAERO C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000299608901 403564280 /nfs/dbraw/zinc/56/42/80/403564280.db2.gz UNCSXLWMGAGFLN-BMIGLBTASA-N 1 0 307.781 2.027 10 0 DEAERO O=C(N[C@H]1CCc2[nH]cnc2C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000332850214 403626506 /nfs/dbraw/zinc/62/65/06/403626506.db2.gz KHLMQIOBTBAAQG-UWVGGRQHSA-N 1 0 316.327 2.251 10 0 DEAERO C[N@@H+]1CCO[C@@H]2CN(c3ncc(C(F)(F)F)cc3Cl)C[C@H]21 ZINC000301687377 403664347 /nfs/dbraw/zinc/66/43/47/403664347.db2.gz XINDXLXIRQUEKH-GHMZBOCLSA-N 1 0 321.730 2.273 10 0 DEAERO Cc1cn2cc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)ccc2n1 ZINC000333168444 403684227 /nfs/dbraw/zinc/68/42/27/403684227.db2.gz PHDVLZRKBOKQAE-QEJZJMRPSA-N 1 0 313.405 2.234 10 0 DEAERO C[C@@H](C1CC1)n1nccc1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333261265 403710157 /nfs/dbraw/zinc/71/01/57/403710157.db2.gz DYGLDEFAURNWPT-ZDUSSCGKSA-N 1 0 317.437 2.462 10 0 DEAERO COc1ccc(C)nc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333212862 403696869 /nfs/dbraw/zinc/69/68/69/403696869.db2.gz ZYOKMSJHXSEPAL-ZIAGYGMSSA-N 1 0 318.421 2.252 10 0 DEAERO C[C@H](NC(=O)c1snnc1C(C)(C)C)C1=CC[N@H+](C)CC1 ZINC000333291716 403717400 /nfs/dbraw/zinc/71/74/00/403717400.db2.gz KRCSBVPNHMAIKB-JTQLQIEISA-N 1 0 308.451 2.216 10 0 DEAERO C[C@H]1CN(c2ncc(C(F)(F)F)s2)CC[N@@H+]1CC(C)(C)O ZINC000302780382 403725459 /nfs/dbraw/zinc/72/54/59/403725459.db2.gz RHXSYPNKNPZHML-VIFPVBQESA-N 1 0 323.384 2.443 10 0 DEAERO CN(C(=O)c1ncsc1Br)[C@H]1CCC[N@H+](C)C1 ZINC000288130564 403730451 /nfs/dbraw/zinc/73/04/51/403730451.db2.gz YXQIPVXWJATIAK-QMMMGPOBSA-N 1 0 318.240 2.072 10 0 DEAERO O=C(NCc1ccc2ccccc2n1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333425372 403749326 /nfs/dbraw/zinc/74/93/26/403749326.db2.gz TWBXHNFUASBTII-GOEBONIOSA-N 1 0 310.401 2.128 10 0 DEAERO Nc1cccnc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303620473 403756510 /nfs/dbraw/zinc/75/65/10/403756510.db2.gz AEUYCEPCYWGTKJ-OAHLLOKOSA-N 1 0 310.401 2.058 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCO[C@H](C2CCCCC2)C1 ZINC000333877420 403895137 /nfs/dbraw/zinc/89/51/37/403895137.db2.gz VPJWQJJBQWKKGC-CVEARBPZSA-N 1 0 309.454 2.119 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[C@@H](c2ccsc2)O1 ZINC000333733025 403838009 /nfs/dbraw/zinc/83/80/09/403838009.db2.gz WLDFUSGBQOUSMI-MXYBEHONSA-N 1 0 323.462 2.218 10 0 DEAERO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](CC2CCOCC2)C1 ZINC000368808210 403866117 /nfs/dbraw/zinc/86/61/17/403866117.db2.gz WSSNJCVOLYSHGH-UONOGXRCSA-N 1 0 307.394 2.135 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3nc(-c4ccccn4)nc4c3CCC4)C[C@H]12 ZINC000333873700 403893952 /nfs/dbraw/zinc/89/39/52/403893952.db2.gz CERCUZWDDBPCPY-VHDGCEQUSA-N 1 0 321.428 2.201 10 0 DEAERO C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000308695052 403959494 /nfs/dbraw/zinc/95/94/94/403959494.db2.gz DIAJYYHKRIUVDE-QLFBSQMISA-N 1 0 302.484 2.216 10 0 DEAERO Cc1nc(N)nc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309931414 403964624 /nfs/dbraw/zinc/96/46/24/403964624.db2.gz WHXOIUKWTVCZEE-WFASDCNBSA-N 1 0 312.421 2.085 10 0 DEAERO CS(=O)(=O)N1CCC[C@H]([NH2+]CCCC2CCCCC2)C1 ZINC000347889804 403936365 /nfs/dbraw/zinc/93/63/65/403936365.db2.gz XQEOCXRLNDIQJF-HNNXBMFYSA-N 1 0 302.484 2.361 10 0 DEAERO [NH3+]CC[C@H]([NH3+])c1cc(Br)c([O-])c(Br)c1 ZINC000307471517 403952935 /nfs/dbraw/zinc/95/29/35/403952935.db2.gz RKRHDQSNBPIZPB-QMMMGPOBSA-N 1 0 324.016 2.266 10 0 DEAERO Cn1cnc(CC[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000313261885 403980732 /nfs/dbraw/zinc/98/07/32/403980732.db2.gz KAOHSPAYMNHSPU-CQSZACIVSA-N 1 0 322.453 2.199 10 0 DEAERO COC(=O)C1(N(C)C(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC000362956741 404024357 /nfs/dbraw/zinc/02/43/57/404024357.db2.gz CQEBYEWTAWWPFU-UHFFFAOYSA-N 1 0 310.438 2.053 10 0 DEAERO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3cc[nH]n3)o1)C[C@@H](C)O2 ZINC000369294926 404035893 /nfs/dbraw/zinc/03/58/93/404035893.db2.gz UAJUBAFGZBFNRM-IGCXYCKISA-N 1 0 317.389 2.438 10 0 DEAERO CCO[C@@H]1C[C@](O)(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1(C)C ZINC000249154673 286420294 /nfs/dbraw/zinc/42/02/94/286420294.db2.gz YMEXVSZVXJJYCK-RMWBKXBUSA-N 1 0 323.477 2.490 10 0 DEAERO CC(=O)N(C[C@@H]1CCCN1CC[NH+]1CCC(C)CC1)C1CC1 ZINC000328622982 404116846 /nfs/dbraw/zinc/11/68/46/404116846.db2.gz BRMQBPWODUJLLZ-SFHVURJKSA-N 1 0 307.482 2.194 10 0 DEAERO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2C[C@H]2CCCCO2)n1C ZINC000328631356 404119925 /nfs/dbraw/zinc/11/99/25/404119925.db2.gz KKDQPXNGPBAHQL-GDBMZVCRSA-N 1 0 319.449 2.481 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@H+](C[C@@H](O)CCOC(C)C)CC2 ZINC000349885749 404244427 /nfs/dbraw/zinc/24/44/27/404244427.db2.gz SVYZGSFUCMXIRD-IBGZPJMESA-N 1 0 319.445 2.466 10 0 DEAERO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2nnc3ccccn32)C1 ZINC000363923431 404253676 /nfs/dbraw/zinc/25/36/76/404253676.db2.gz GUKAJKACEGJKLP-ZIAGYGMSSA-N 1 0 310.405 2.279 10 0 DEAERO c1cnn(-c2cccc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)c2)c1 ZINC000352376313 404327722 /nfs/dbraw/zinc/32/77/22/404327722.db2.gz NIABZLBAGIURNY-GOSISDBHSA-N 1 0 313.401 2.254 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C12CCOCC2 ZINC000329484994 404351760 /nfs/dbraw/zinc/35/17/60/404351760.db2.gz SMXPMJRLKVNPRK-HZMVEIRTSA-N 1 0 311.466 2.349 10 0 DEAERO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCCCO ZINC000364513873 404429419 /nfs/dbraw/zinc/42/94/19/404429419.db2.gz QJZJRQPWVWCOAZ-GOSISDBHSA-N 1 0 305.418 2.399 10 0 DEAERO CC(=O)c1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)nc1 ZINC000297122272 404459766 /nfs/dbraw/zinc/45/97/66/404459766.db2.gz IGIQFMVHQVLQAS-FZMZJTMJSA-N 1 0 304.394 2.231 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCCNC2=O)[C@H](C)C1 ZINC000329834116 404465282 /nfs/dbraw/zinc/46/52/82/404465282.db2.gz LNWSTMZJHOXECW-ILXRZTDVSA-N 1 0 309.454 2.322 10 0 DEAERO c1c(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)nc2ncccn12 ZINC000297723298 404602792 /nfs/dbraw/zinc/60/27/92/404602792.db2.gz SAPDVDYIHOCEAL-OAHLLOKOSA-N 1 0 316.405 2.285 10 0 DEAERO CN1CCC[C@H](C[NH2+]C2CCN(C=O)CC2)[C@@H]1c1cccs1 ZINC000365495673 404675995 /nfs/dbraw/zinc/67/59/95/404675995.db2.gz SDZOUARQJGJIQI-RHSMWYFYSA-N 1 0 321.490 2.341 10 0 DEAERO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374063023 404683126 /nfs/dbraw/zinc/68/31/26/404683126.db2.gz BCMSPRVUZNSOLO-MLEONAHRSA-N 1 0 319.453 2.331 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)CC1 ZINC000365547936 404688320 /nfs/dbraw/zinc/68/83/20/404688320.db2.gz PLTQQMBGMXLUBT-WMLDXEAASA-N 1 0 323.481 2.317 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCOC1=O)CC2 ZINC000374329579 404704776 /nfs/dbraw/zinc/70/47/76/404704776.db2.gz MAOTXIJLDCPWBS-OAHLLOKOSA-N 1 0 301.386 2.243 10 0 DEAERO C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000353089471 404740288 /nfs/dbraw/zinc/74/02/88/404740288.db2.gz MRRSPJSEVINTPA-OKACTXMXSA-N 1 0 322.474 2.494 10 0 DEAERO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000356886074 404716909 /nfs/dbraw/zinc/71/69/09/404716909.db2.gz SRBCWNQXDMNFPR-HOTGVXAUSA-N 1 0 315.461 2.447 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCCC[C@@H]1c1ccnn1C)C(C)C ZINC000356889523 404717623 /nfs/dbraw/zinc/71/76/23/404717623.db2.gz FYGAGYACFFSPTF-MRXNPFEDSA-N 1 0 321.469 2.387 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C/C=C\c2cccc(F)c2)[C@@H](C)C1 ZINC000356891770 404718556 /nfs/dbraw/zinc/71/85/56/404718556.db2.gz FEBFOFKLJRSEEX-SNPDBEFISA-N 1 0 320.408 2.143 10 0 DEAERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc(F)c2)CC12COC2 ZINC000451140295 404877595 /nfs/dbraw/zinc/87/75/95/404877595.db2.gz TYTWANYZECUOLW-WFASDCNBSA-N 1 0 307.365 2.398 10 0 DEAERO c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000378421432 404959444 /nfs/dbraw/zinc/95/94/44/404959444.db2.gz IYYXCRYIQMARSU-SJLPKXTDSA-N 1 0 317.433 2.110 10 0 DEAERO COCCOC[C@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435135387 404959884 /nfs/dbraw/zinc/95/98/84/404959884.db2.gz PBQMCAFEZAPGHZ-ZDUSSCGKSA-N 1 0 305.378 2.155 10 0 DEAERO CC[C@@H]([NH2+][C@H](C)c1cncc(Br)c1)C(=O)NC ZINC000568276880 292328799 /nfs/dbraw/zinc/32/87/99/292328799.db2.gz QTCCKUSBTWVHFJ-LDYMZIIASA-N 1 0 300.200 2.019 10 0 DEAERO Cc1cc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)ccc1-n1cncn1 ZINC000378347518 404935245 /nfs/dbraw/zinc/93/52/45/404935245.db2.gz VODHHQCIVHEJAF-OAHLLOKOSA-N 1 0 323.404 2.073 10 0 DEAERO COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000367114804 404935526 /nfs/dbraw/zinc/93/55/26/404935526.db2.gz QMNFTFOVPSDASS-SQWLQELKSA-N 1 0 311.397 2.457 10 0 DEAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000367122494 404939135 /nfs/dbraw/zinc/93/91/35/404939135.db2.gz BSQZSDALZVPRDQ-RBUKOAKNSA-N 1 0 316.445 2.319 10 0 DEAERO CCc1cccc(Cl)c1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000435036279 404952759 /nfs/dbraw/zinc/95/27/59/404952759.db2.gz SKQLWPBITRKSHS-MRXNPFEDSA-N 1 0 321.808 2.076 10 0 DEAERO CC(=O)C[C@H](C)NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000367333856 405016128 /nfs/dbraw/zinc/01/61/28/405016128.db2.gz LMBVTYGTBVAZFJ-ZDUSSCGKSA-N 1 0 303.406 2.090 10 0 DEAERO c1cn(-c2ccccc2)nc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000367365678 405025498 /nfs/dbraw/zinc/02/54/98/405025498.db2.gz QOHHAWVUGWNDFX-YJBOKZPZSA-N 1 0 313.401 2.300 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)c2ncccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000379661925 405027151 /nfs/dbraw/zinc/02/71/51/405027151.db2.gz GTWMMXJMZUKTCP-HOCLYGCPSA-N 1 0 324.428 2.447 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ncccc1N ZINC000382754553 405031934 /nfs/dbraw/zinc/03/19/34/405031934.db2.gz GERLISVONLSCAM-HNNXBMFYSA-N 1 0 324.428 2.400 10 0 DEAERO Cc1nn(C)c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1Br ZINC000384909264 405034544 /nfs/dbraw/zinc/03/45/44/405034544.db2.gz PPJMXKVPAGGRHW-SZEHBUNVSA-N 1 0 302.216 2.147 10 0 DEAERO CCC[N@@H+]1CC[C@@H](NC(=O)c2nscc2Br)C1 ZINC000404868436 405069198 /nfs/dbraw/zinc/06/91/98/405069198.db2.gz XCYJIMOXIKEKNU-MRVPVSSYSA-N 1 0 318.240 2.120 10 0 DEAERO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1nscc1Br ZINC000404878894 405069289 /nfs/dbraw/zinc/06/92/89/405069289.db2.gz YSZJIYSKPREBTD-APPZFPTMSA-N 1 0 318.240 2.070 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000408098971 405111507 /nfs/dbraw/zinc/11/15/07/405111507.db2.gz UHJVSPNAZJXXOL-CQSZACIVSA-N 1 0 312.435 2.227 10 0 DEAERO COCC1(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)CCC1 ZINC000367646455 405112811 /nfs/dbraw/zinc/11/28/11/405112811.db2.gz VATOJEUOQZJERW-LBPRGKRZSA-N 1 0 305.422 2.323 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000408183686 405133176 /nfs/dbraw/zinc/13/31/76/405133176.db2.gz SMYXEHVXGIAKJY-CXAGYDPISA-N 1 0 315.417 2.344 10 0 DEAERO Cc1cnc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(O)c1 ZINC000408225630 405145459 /nfs/dbraw/zinc/14/54/59/405145459.db2.gz VPMZURUTXPJKAG-KGLIPLIRSA-N 1 0 303.406 2.183 10 0 DEAERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)CC(C)(C)O)C1)CCCC2 ZINC000408289508 405162758 /nfs/dbraw/zinc/16/27/58/405162758.db2.gz GPJLSAGFRPBPLT-ZDUSSCGKSA-N 1 0 305.422 2.005 10 0 DEAERO COc1ccc(O)cc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000408440233 405207819 /nfs/dbraw/zinc/20/78/19/405207819.db2.gz ZQHWJSKQVFHINH-CQSZACIVSA-N 1 0 318.417 2.205 10 0 DEAERO CC(=O)N1CCC(NC(=O)C[N@@H+](C(C)C)C2CC(C)(C)C2)CC1 ZINC000452107510 405172542 /nfs/dbraw/zinc/17/25/42/405172542.db2.gz SWUPXSUVWNKHFT-UHFFFAOYSA-N 1 0 323.481 2.013 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000437970726 405226676 /nfs/dbraw/zinc/22/66/76/405226676.db2.gz NOOMUAFTKVDDLW-CQSZACIVSA-N 1 0 322.424 2.498 10 0 DEAERO Cc1ccc(F)c(NC(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1 ZINC000454304160 405325013 /nfs/dbraw/zinc/32/50/13/405325013.db2.gz QXPFOMVIKZSTDA-CYBMUJFWSA-N 1 0 309.385 2.102 10 0 DEAERO CC(=O)c1ccc(NC(=O)CCN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000420346115 405327562 /nfs/dbraw/zinc/32/75/62/405327562.db2.gz CANWMAPXVAXKTN-CALCHBBNSA-N 1 0 315.417 2.044 10 0 DEAERO CC(C)C[C@H](C[NH3+])Nc1ccc(I)cn1 ZINC000420191125 405293637 /nfs/dbraw/zinc/29/36/37/405293637.db2.gz RGGNJBZXBMRBPT-SNVBAGLBSA-N 1 0 319.190 2.472 10 0 DEAERO CN(C)C(=O)c1cnc(N2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000420246868 405300436 /nfs/dbraw/zinc/30/04/36/405300436.db2.gz GPKAEDRZNIREGP-MRXNPFEDSA-N 1 0 322.840 2.017 10 0 DEAERO CC=CC[C@H]1NC(=O)N(c2cccc(OCC[NH+](C)C)c2)C1=O ZINC000445912729 405362654 /nfs/dbraw/zinc/36/26/54/405362654.db2.gz KWPBLQJVTRISIH-MBVDDHJVSA-N 1 0 317.389 2.018 10 0 DEAERO c1ccc(N2CCN(CCC[N@@H+]3CC[C@@]34CCOC4)CC2)cc1 ZINC000421018698 405431564 /nfs/dbraw/zinc/43/15/64/405431564.db2.gz LNVSVJSYRHAXDX-IBGZPJMESA-N 1 0 315.461 2.064 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)OCCc2ccccc2)C1 ZINC000448758856 405444848 /nfs/dbraw/zinc/44/48/48/405444848.db2.gz BLQVDAUZBXWRNG-DOTOQJQBSA-N 1 0 304.434 2.092 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)OCCc2ccccc2)C1 ZINC000448758857 405444993 /nfs/dbraw/zinc/44/49/93/405444993.db2.gz BLQVDAUZBXWRNG-NVXWUHKLSA-N 1 0 304.434 2.092 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)C2(C(=O)C3CC3)CC2)CC1 ZINC000448827104 405452741 /nfs/dbraw/zinc/45/27/41/405452741.db2.gz XENKYEBCKYSDPT-UHFFFAOYSA-N 1 0 306.450 2.326 10 0 DEAERO CC[C@@H](C)n1ncc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000577559981 405468511 /nfs/dbraw/zinc/46/85/11/405468511.db2.gz UVWAYDUVKJVGTR-TZMCWYRMSA-N 1 0 304.438 2.377 10 0 DEAERO C[NH2+]CCOCCNC(=O)CCSc1ccc(Cl)cc1 ZINC000638581916 405557243 /nfs/dbraw/zinc/55/72/43/405557243.db2.gz GZLZPWAWDVWZTN-UHFFFAOYSA-N 1 0 316.854 2.174 10 0 DEAERO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)C(C)C ZINC000449440572 405562135 /nfs/dbraw/zinc/56/21/35/405562135.db2.gz LCTYFJSAPSIIEV-HNNXBMFYSA-N 1 0 304.394 2.262 10 0 DEAERO c1ccc(N2CC[C@H](C[NH2+]CCOC[C@@H]3CCOC3)C2)cc1 ZINC000638522751 405525123 /nfs/dbraw/zinc/52/51/23/405525123.db2.gz VYAIKVOYBLSXOP-IAGOWNOFSA-N 1 0 304.434 2.156 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC12COC2 ZINC000449367611 405529213 /nfs/dbraw/zinc/52/92/13/405529213.db2.gz XJTRWVHQMNZUCW-ULQDDVLXSA-N 1 0 315.413 2.302 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000458670075 405533887 /nfs/dbraw/zinc/53/38/87/405533887.db2.gz TVSJJNUHTXSTJS-IRXDYDNUSA-N 1 0 303.450 2.468 10 0 DEAERO c1c(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)onc1C1CC1 ZINC000638670005 405606808 /nfs/dbraw/zinc/60/68/08/405606808.db2.gz YZQYYAKOQYNYGX-ZDUSSCGKSA-N 1 0 305.422 2.143 10 0 DEAERO Cc1[nH+]c2c(n1[C@@H]1CCN(c3ncnc4n[nH]cc43)C1)CCCC2 ZINC000431390750 405615505 /nfs/dbraw/zinc/61/55/05/405615505.db2.gz LBSHDVFKESAVNH-GFCCVEGCSA-N 1 0 323.404 2.188 10 0 DEAERO C[C@@H](CN1CCOCC1)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493978824 405621849 /nfs/dbraw/zinc/62/18/49/405621849.db2.gz UWIHQULGUYBHBD-ZLPCBKJTSA-N 1 0 304.434 2.045 10 0 DEAERO CCN1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1=O ZINC000449520966 405594652 /nfs/dbraw/zinc/59/46/52/405594652.db2.gz SYUHYOKWRPRFOB-HNNXBMFYSA-N 1 0 318.417 2.352 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)c2sccc2Br)C[NH2+]1 ZINC000638651889 405595852 /nfs/dbraw/zinc/59/58/52/405595852.db2.gz HSALQGJOQKIASN-YUMQZZPRSA-N 1 0 303.225 2.381 10 0 DEAERO CC(C)n1cc(Br)cc1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638770662 405659872 /nfs/dbraw/zinc/65/98/72/405659872.db2.gz REIYHBIGXZUFSS-GXSJLCMTSA-N 1 0 314.227 2.312 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(Br)ccc1F ZINC000638772188 405661502 /nfs/dbraw/zinc/66/15/02/405661502.db2.gz XXQYIAZQPASAIJ-WRWORJQWSA-N 1 0 301.159 2.068 10 0 DEAERO O=C(NC[C@H]1CCC[N@H+]1CCCO)NCC1CCCCCC1 ZINC000459030739 405704132 /nfs/dbraw/zinc/70/41/32/405704132.db2.gz RDTUWAKQOUSAJL-MRXNPFEDSA-N 1 0 311.470 2.103 10 0 DEAERO CC[C@H](C)[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)OC ZINC000494596564 405726406 /nfs/dbraw/zinc/72/64/06/405726406.db2.gz NBLXKHJIRKSNRO-UONOGXRCSA-N 1 0 312.454 2.202 10 0 DEAERO C[C@@H]1CN(C(=O)Cc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000638891235 405743274 /nfs/dbraw/zinc/74/32/74/405743274.db2.gz TYKHYHLEYQIXEM-PWSUYJOCSA-N 1 0 311.223 2.045 10 0 DEAERO [NH3+][C@H](CCNC(=O)COCc1ccccc1)Cc1ccccc1 ZINC000638907642 405753359 /nfs/dbraw/zinc/75/33/59/405753359.db2.gz WTOQEVJLVGDKCS-GOSISDBHSA-N 1 0 312.413 2.280 10 0 DEAERO CC(C)n1cc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cn1 ZINC000583618801 405775943 /nfs/dbraw/zinc/77/59/43/405775943.db2.gz NRHGXMNLSYMAAH-ZACQAIPSSA-N 1 0 307.438 2.216 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000457277202 405776123 /nfs/dbraw/zinc/77/61/23/405776123.db2.gz YEDQILPVGMUXCK-KBXCAEBGSA-N 1 0 324.465 2.441 10 0 DEAERO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000560365517 405799743 /nfs/dbraw/zinc/79/97/43/405799743.db2.gz CKSJFOMNZGXGEY-GOEBONIOSA-N 1 0 304.434 2.426 10 0 DEAERO C([NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)c1nnc2n1CCCC2 ZINC000530439934 405803714 /nfs/dbraw/zinc/80/37/14/405803714.db2.gz RSZFEGZXCXNGAN-RRFJBIMHSA-N 1 0 304.438 2.299 10 0 DEAERO [NH3+]CC1(NC(=O)c2nscc2Br)CCCCC1 ZINC000638998538 405809575 /nfs/dbraw/zinc/80/95/75/405809575.db2.gz QYNHWSOAFBZKBG-UHFFFAOYSA-N 1 0 318.240 2.297 10 0 DEAERO CC(=O)[C@@](C)(O)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000450298773 405823214 /nfs/dbraw/zinc/82/32/14/405823214.db2.gz NNQHHEJQHBUTEV-SFHVURJKSA-N 1 0 305.418 2.050 10 0 DEAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H]1CCCS(=O)(=O)C1 ZINC000560159884 405774488 /nfs/dbraw/zinc/77/44/88/405774488.db2.gz VVQGBPVISJDQKX-DZGCQCFKSA-N 1 0 311.447 2.080 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457557872 405895852 /nfs/dbraw/zinc/89/58/52/405895852.db2.gz NVSPKMSFBDOMOO-MRXNPFEDSA-N 1 0 318.417 2.386 10 0 DEAERO CCn1nncc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000459344932 405863177 /nfs/dbraw/zinc/86/31/77/405863177.db2.gz VLJNQXYWDYXDIL-MRXNPFEDSA-N 1 0 305.470 2.386 10 0 DEAERO Brc1cnn(CCC[NH2+]C2CC(n3cccn3)C2)c1 ZINC000639184480 405954703 /nfs/dbraw/zinc/95/47/03/405954703.db2.gz QGRDNVGGAPFANW-UHFFFAOYSA-N 1 0 324.226 2.226 10 0 DEAERO CC(=O)N1CCC[C@@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000632014184 405955468 /nfs/dbraw/zinc/95/54/68/405955468.db2.gz DISVEBRWBHORQR-OAHLLOKOSA-N 1 0 314.389 2.482 10 0 DEAERO CC(=O)NC1CCC([NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000561353861 405921108 /nfs/dbraw/zinc/92/11/08/405921108.db2.gz UTGVMQFYLSHNLG-VXLLPVPCSA-N 1 0 318.465 2.483 10 0 DEAERO Cc1ccccc1-c1ccccc1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459722748 406019893 /nfs/dbraw/zinc/01/98/93/406019893.db2.gz VHDNEKKSVWITKP-QGZVFWFLSA-N 1 0 322.412 2.404 10 0 DEAERO CC[N@H+](CCO)CCNC(=O)C1=C(c2ccccc2)CCCC1 ZINC000450950019 405996615 /nfs/dbraw/zinc/99/66/15/405996615.db2.gz UKGBXQJYDOJXHJ-UHFFFAOYSA-N 1 0 316.445 2.445 10 0 DEAERO CO[C@@H](C)[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460669490 406080063 /nfs/dbraw/zinc/08/00/63/406080063.db2.gz FUNAYOQMIFLLKA-VYDXJSESSA-N 1 0 319.449 2.231 10 0 DEAERO Cc1csc([C@H](C)NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)n1 ZINC000532060544 406039357 /nfs/dbraw/zinc/03/93/57/406039357.db2.gz JSLFJKQGWFMXAO-XHVZSJERSA-N 1 0 308.451 2.294 10 0 DEAERO C[C@]1(C(=O)NCCNc2cc[nH+]cc2)CCc2ccccc2C1 ZINC000533814686 406163314 /nfs/dbraw/zinc/16/33/14/406163314.db2.gz GNWRAWCOULTNMJ-IBGZPJMESA-N 1 0 309.413 2.227 10 0 DEAERO c1cc(CN(Cc2ccccc2)C[C@H]2CCc3ncnn32)n[nH]1 ZINC000639484425 406110284 /nfs/dbraw/zinc/11/02/84/406110284.db2.gz MOHGHUITPZHHKI-MRXNPFEDSA-N 1 0 308.389 2.191 10 0 DEAERO CCC[N@@H+]1CC[C@@H](CNCc2c(Br)cnn2C)C1 ZINC000486987898 406195999 /nfs/dbraw/zinc/19/59/99/406195999.db2.gz HFVUFENXJGUTJK-NSHDSACASA-N 1 0 315.259 2.004 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1CCCCC(F)(F)C1)CC1(O)CCOCC1 ZINC000634715122 406242605 /nfs/dbraw/zinc/24/26/05/406242605.db2.gz XZXZPRXXVAXBTG-KGLIPLIRSA-N 1 0 321.408 2.084 10 0 DEAERO CCOC[C@@H](O)C[NH2+][C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000634724960 406248864 /nfs/dbraw/zinc/24/88/64/406248864.db2.gz BRUNCQQEWIFUKY-OALUTQOASA-N 1 0 320.477 2.418 10 0 DEAERO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000519851333 406263166 /nfs/dbraw/zinc/26/31/66/406263166.db2.gz PWDRZMBDJWXEDA-WAYRAWBGSA-N 1 0 308.466 2.473 10 0 DEAERO c1nc(N2CCCCC2)cc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)n1 ZINC000634812292 406295892 /nfs/dbraw/zinc/29/58/92/406295892.db2.gz DZTUFFLBVCZIOE-HUUCEWRRSA-N 1 0 301.438 2.045 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H]2CCOC3(CCCC3)C2)CC1 ZINC000546567842 406362776 /nfs/dbraw/zinc/36/27/76/406362776.db2.gz MYWRVDBHQZBQOE-INIZCTEOSA-N 1 0 321.465 2.429 10 0 DEAERO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1c2ccccc2CC[C@H]1C ZINC000488719226 406341137 /nfs/dbraw/zinc/34/11/37/406341137.db2.gz NQXQGLUHTINUAI-FMKPAKJESA-N 1 0 302.418 2.057 10 0 DEAERO c1cc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)no1 ZINC000546493209 406359169 /nfs/dbraw/zinc/35/91/69/406359169.db2.gz MOKCNEQIPKXPEJ-CYBMUJFWSA-N 1 0 311.345 2.499 10 0 DEAERO C[C@H]([NH2+]CCCn1ccnn1)c1ccc(Br)cn1 ZINC000570598613 406415468 /nfs/dbraw/zinc/41/54/68/406415468.db2.gz MHFBRBONEKZLTF-JTQLQIEISA-N 1 0 310.199 2.177 10 0 DEAERO Cc1ccsc1CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000637907395 406473005 /nfs/dbraw/zinc/47/30/05/406473005.db2.gz LNXIBUVSXUXKQL-HNNXBMFYSA-N 1 0 317.458 2.132 10 0 DEAERO c1c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)nnn1C[C@@H]1CCOC1 ZINC000637914285 406475069 /nfs/dbraw/zinc/47/50/69/406475069.db2.gz XXSFTOUULDIAPR-DOTOQJQBSA-N 1 0 312.417 2.304 10 0 DEAERO c1ccc(N2CC[C@H](C[NH+]3CCN(c4cnccn4)CC3)C2)cc1 ZINC000637920239 406478284 /nfs/dbraw/zinc/47/82/84/406478284.db2.gz QZRDNVSQZGTPBU-QGZVFWFLSA-N 1 0 323.444 2.125 10 0 DEAERO c1ccc(OCCN2CC[NH+](CCC[C@H]3CCO3)CC2)cc1 ZINC000637867433 406454239 /nfs/dbraw/zinc/45/42/39/406454239.db2.gz ILQBROIKAPEWNJ-SFHVURJKSA-N 1 0 304.434 2.252 10 0 DEAERO CCN(CC)C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637871477 406454801 /nfs/dbraw/zinc/45/48/01/406454801.db2.gz QTRDUTLCZNGSFL-UHFFFAOYSA-N 1 0 303.450 2.238 10 0 DEAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637874247 406456905 /nfs/dbraw/zinc/45/69/05/406456905.db2.gz GFALMFXGXDBFEH-PVAVHDDUSA-N 1 0 303.450 2.141 10 0 DEAERO c1cnc(N2CCC[C@@H]([NH2+]CC3Cc4ccccc4C3)C2)nc1 ZINC000571011713 406466171 /nfs/dbraw/zinc/46/61/71/406466171.db2.gz BQBJOENBXFVMIX-GOSISDBHSA-N 1 0 308.429 2.450 10 0 DEAERO [NH3+][C@@H]1CC=C(C(=O)N2CC[C@H](COCc3ccccc3)C2)C1 ZINC000638022666 406528222 /nfs/dbraw/zinc/52/82/22/406528222.db2.gz KQTMCSHYNDEVEL-DOTOQJQBSA-N 1 0 300.402 2.099 10 0 DEAERO CO[C@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000526074211 406541251 /nfs/dbraw/zinc/54/12/51/406541251.db2.gz NGHBIYHYXDWLJG-KBPBESRZSA-N 1 0 315.373 2.463 10 0 DEAERO O=C([C@@H]1Cc2ccc(Cl)cc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249408 406648463 /nfs/dbraw/zinc/64/84/63/406648463.db2.gz QMYOCAXXFZJUDN-DVOMOZLQSA-N 1 0 304.821 2.438 10 0 DEAERO [NH3+]C[C@]1(C(=O)NCc2ccc(Cl)c(Cl)c2)CCCOC1 ZINC000638414325 406757981 /nfs/dbraw/zinc/75/79/81/406757981.db2.gz FELLVWOJZZBYSU-CQSZACIVSA-N 1 0 317.216 2.365 10 0 DEAERO Cc1cc(C(=O)N(C)Cc2nccn2C)c(C)n1[C@H]1CCOC1 ZINC000527706777 406724705 /nfs/dbraw/zinc/72/47/05/406724705.db2.gz YJTVEDMKCNXBBY-AWEZNQCLSA-N 1 0 316.405 2.072 10 0 DEAERO C[C@](O)(C[NH2+][C@H]1CCOC2(CCSCC2)C1)C(F)(F)F ZINC000570955567 292517493 /nfs/dbraw/zinc/51/74/93/292517493.db2.gz DALHYHMATHEDMN-QWRGUYRKSA-N 1 0 313.385 2.334 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)CC(C)(C)OC ZINC000246398934 287227142 /nfs/dbraw/zinc/22/71/42/287227142.db2.gz RJRRGKNTTHOSSW-ZNMIVQPWSA-N 1 0 311.470 2.458 10 0 DEAERO [NH3+]CCc1cnc(Sc2ccc(Br)cn2)nc1 ZINC000129038827 196014418 /nfs/dbraw/zinc/01/44/18/196014418.db2.gz XTVWPXFGWNPWQB-UHFFFAOYSA-N 1 0 311.208 2.287 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH3+])[C@H](OC)C1CC1 ZINC000129130285 196021716 /nfs/dbraw/zinc/02/17/16/196021716.db2.gz JYQQBCPOLRWILA-GXFFZTMASA-N 1 0 316.243 2.269 10 0 DEAERO C[C@H](O)[C@H](C)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000129175292 196025524 /nfs/dbraw/zinc/02/55/24/196025524.db2.gz BPFQFZKUZBTRSW-IUCAKERBSA-N 1 0 300.196 2.243 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCc3cc(F)ccc3C2)C1 ZINC000129167542 196026212 /nfs/dbraw/zinc/02/62/12/196026212.db2.gz HJNIMCAMRLUERC-MRXNPFEDSA-N 1 0 305.397 2.378 10 0 DEAERO [NH3+]CCc1cc(OCCn2cccn2)ccc1Br ZINC000129197094 196028541 /nfs/dbraw/zinc/02/85/41/196028541.db2.gz YOEUSGBTNYHDOK-UHFFFAOYSA-N 1 0 310.195 2.226 10 0 DEAERO Cc1cc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c(C)s1 ZINC000129243856 196032171 /nfs/dbraw/zinc/03/21/71/196032171.db2.gz SEPUIHTYWFANLV-UHFFFAOYSA-N 1 0 302.465 2.033 10 0 DEAERO CC(C)Cn1ncnc1COc1cccc(Cl)c1C(N)=[NH2+] ZINC000129268130 196033694 /nfs/dbraw/zinc/03/36/94/196033694.db2.gz QCTYPNXCNPIIOI-UHFFFAOYSA-N 1 0 307.785 2.451 10 0 DEAERO OCCOC1CC[NH+](C[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000129327341 196040339 /nfs/dbraw/zinc/04/03/39/196040339.db2.gz DLJIAKOVNJMXSH-OAHLLOKOSA-N 1 0 311.809 2.117 10 0 DEAERO CN(CC[C@H]1COCC[NH2+]1)Cc1ccccc1Br ZINC000129402861 196044463 /nfs/dbraw/zinc/04/44/63/196044463.db2.gz SLRJYOXSMGLHDX-ZDUSSCGKSA-N 1 0 313.239 2.259 10 0 DEAERO C[C@@H](CC[NH2+]C1CCN(Cc2ccccc2)CC1)[S@](C)=O ZINC000129456392 196050503 /nfs/dbraw/zinc/05/05/03/196050503.db2.gz OUSXSOBKBGKLII-YCRPNKLZSA-N 1 0 308.491 2.398 10 0 DEAERO CCC[NH2+]CCC(C)(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129472687 196051542 /nfs/dbraw/zinc/05/15/42/196051542.db2.gz LNPLOEPNDROCNH-AWEZNQCLSA-N 1 0 304.500 2.464 10 0 DEAERO Cc1cc(Br)cc2nc([C@]3(C)COC[C@H]3[NH3+])[nH]c21 ZINC000129620667 196062261 /nfs/dbraw/zinc/06/22/61/196062261.db2.gz WJXBREOQSRWKRP-ZWNOBZJWSA-N 1 0 310.195 2.249 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(C)C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000129740022 196071730 /nfs/dbraw/zinc/07/17/30/196071730.db2.gz RIABVMBHYIQLIP-XEZPLFJOSA-N 1 0 310.463 2.081 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)c1ccc(NN)[nH+]c1 ZINC000129791904 196076476 /nfs/dbraw/zinc/07/64/76/196076476.db2.gz CAQZABTVUJLWGG-UHFFFAOYSA-N 1 0 322.166 2.085 10 0 DEAERO Cc1cc(C(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)sc1C ZINC000130728386 196104423 /nfs/dbraw/zinc/10/44/23/196104423.db2.gz YLQKHTUOSPMEMW-AWEZNQCLSA-N 1 0 307.463 2.003 10 0 DEAERO COc1c(C[N@@H+]2CCCN(c3ccccc3)CC2)c(C)nn1C ZINC000130772637 196107932 /nfs/dbraw/zinc/10/79/32/196107932.db2.gz QLXOARPDVDXMTD-UHFFFAOYSA-N 1 0 314.433 2.449 10 0 DEAERO C[NH2+]Cc1nnnn1-c1ccc2cc(Br)ccc2c1 ZINC000130886988 196119378 /nfs/dbraw/zinc/11/93/78/196119378.db2.gz RRQFJRUIOTYOMY-UHFFFAOYSA-N 1 0 318.178 2.297 10 0 DEAERO Brc1ccc(Cc2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000131105531 196141049 /nfs/dbraw/zinc/14/10/49/196141049.db2.gz JRDAQDDJWRGUMQ-UHFFFAOYSA-N 1 0 304.191 2.476 10 0 DEAERO CCOc1ccc([C@@H]([NH3+])CCCS(C)(=O)=O)cc1OCC ZINC000131120936 196141412 /nfs/dbraw/zinc/14/14/12/196141412.db2.gz HSHAJZKCXPZJDN-ZDUSSCGKSA-N 1 0 315.435 2.309 10 0 DEAERO CCOc1ccc([C@H]([NH3+])CCCS(C)(=O)=O)cc1OCC ZINC000131120750 196141921 /nfs/dbraw/zinc/14/19/21/196141921.db2.gz HSHAJZKCXPZJDN-CYBMUJFWSA-N 1 0 315.435 2.309 10 0 DEAERO O=c1[nH]nc([C@H]2CCC[NH2+]C2)n1-c1ccc(Cl)c(Cl)c1 ZINC000131135828 196142821 /nfs/dbraw/zinc/14/28/21/196142821.db2.gz NLAQNCHASFHZMC-QMMMGPOBSA-N 1 0 313.188 2.334 10 0 DEAERO C[N@H+](CC(=O)Nc1cc(Cl)ccc1N)[C@H]1CCCC[C@@H]1O ZINC000131248273 196152774 /nfs/dbraw/zinc/15/27/74/196152774.db2.gz HJQKUWYOOOJCOM-KBPBESRZSA-N 1 0 311.813 2.096 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000131370040 196162969 /nfs/dbraw/zinc/16/29/69/196162969.db2.gz VUXOOZKSIDHJNS-LLVKDONJSA-N 1 0 324.215 2.413 10 0 DEAERO O[C@H](C[NH2+][C@H]1CCOC1)COc1c(Cl)cccc1Cl ZINC000131467158 196171321 /nfs/dbraw/zinc/17/13/21/196171321.db2.gz FVNCWMJHFAKWAX-VHSXEESVSA-N 1 0 306.189 2.112 10 0 DEAERO C[NH2+][C@H](Cc1cccc(F)c1F)[C@@H]1CCCCS1(=O)=O ZINC000131482551 196173939 /nfs/dbraw/zinc/17/39/39/196173939.db2.gz UKRMGSRYWIVYPU-OLZOCXBDSA-N 1 0 303.374 2.063 10 0 DEAERO CCS(=O)(=O)CCCOc1ccc([C@@H](C)[NH2+]C)cc1F ZINC000131630027 196185607 /nfs/dbraw/zinc/18/56/07/196185607.db2.gz SAUYLTAKWJLHKN-LLVKDONJSA-N 1 0 303.399 2.310 10 0 DEAERO C[C@@H](C[NH+](C)C)N1C(=O)C2(CCCC2)N[C@@H]1c1ccsc1 ZINC000131648435 196187179 /nfs/dbraw/zinc/18/71/79/196187179.db2.gz PNPLKTGRLAMIMQ-JSGCOSHPSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2cc(C[NH3+])ccc2Cl)CC[C@@H]1C ZINC000131763162 196197026 /nfs/dbraw/zinc/19/70/26/196197026.db2.gz VBGFXUHJGODTNB-QWRGUYRKSA-N 1 0 316.854 2.465 10 0 DEAERO C[C@@H](O)C[C@@H]1CCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000131902084 196209333 /nfs/dbraw/zinc/20/93/33/196209333.db2.gz FKILZVOEXYBGCE-LMPOIIKSSA-N 1 0 311.470 2.052 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)[C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000131937564 196211589 /nfs/dbraw/zinc/21/15/89/196211589.db2.gz XAPYAXPQEQQBBH-YOEHRIQHSA-N 1 0 312.417 2.249 10 0 DEAERO CC[NH+](CC)C[C@H](C)Nc1nc(NC)ncc1Br ZINC000132342214 196247136 /nfs/dbraw/zinc/24/71/36/196247136.db2.gz WWZDETQELZNKHM-VIFPVBQESA-N 1 0 316.247 2.423 10 0 DEAERO CNC(=O)C[NH2+][C@H]1CCCc2sc(Br)cc21 ZINC000132263681 196239826 /nfs/dbraw/zinc/23/98/26/196239826.db2.gz KBANJFMSFQUINW-QMMMGPOBSA-N 1 0 303.225 2.224 10 0 DEAERO CC(C)[N@H+](C)CCCCNc1nc(N)ncc1Br ZINC000132309855 196244333 /nfs/dbraw/zinc/24/43/33/196244333.db2.gz PXMSEUZQDAQPIA-UHFFFAOYSA-N 1 0 316.247 2.354 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H](COCc2cc(Br)ccc2F)O1 ZINC000132595338 196268780 /nfs/dbraw/zinc/26/87/80/196268780.db2.gz WKEQBAVYNZEVMU-BXKDBHETSA-N 1 0 318.186 2.482 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H](COCc2ccc(Br)cc2F)O1 ZINC000132703767 196277266 /nfs/dbraw/zinc/27/72/66/196277266.db2.gz OGJDLLQLAPFXAI-CABZTGNLSA-N 1 0 318.186 2.482 10 0 DEAERO CCC[C@@](C)(O)c1c(Br)cnn1CC[NH+](C)C ZINC000132858060 196290520 /nfs/dbraw/zinc/29/05/20/196290520.db2.gz LWJVQWGTOPHNFD-GFCCVEGCSA-N 1 0 304.232 2.215 10 0 DEAERO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])sc1Br ZINC000132867120 196291355 /nfs/dbraw/zinc/29/13/55/196291355.db2.gz VHLLLWNIWRZSFC-MRVPVSSYSA-N 1 0 303.225 2.382 10 0 DEAERO CCOCc1nc(N[C@H](CC)c2nccs2)cc(NN)[nH+]1 ZINC000132983452 196301813 /nfs/dbraw/zinc/30/18/13/196301813.db2.gz YAJVEASABFYESX-SECBINFHSA-N 1 0 308.411 2.318 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1[C@@](C)(O)C(C)(C)C ZINC000133028177 196306138 /nfs/dbraw/zinc/30/61/38/196306138.db2.gz ZPBGJROPOZDING-CYBMUJFWSA-N 1 0 318.259 2.461 10 0 DEAERO CC(C)n1ncc(Br)c1[C@@](O)(C[NH3+])C(C)(C)C ZINC000133147669 196316566 /nfs/dbraw/zinc/31/65/66/196316566.db2.gz CBOLJYJUHHEVCX-LBPRGKRZSA-N 1 0 304.232 2.419 10 0 DEAERO C[C@](C[NH3+])(Nc1ccccc1S(=O)(=O)C(F)F)C1CC1 ZINC000133794067 196336855 /nfs/dbraw/zinc/33/68/55/196336855.db2.gz FBLSASWVLFWVEP-CYBMUJFWSA-N 1 0 304.362 2.222 10 0 DEAERO CCOC(=O)Cc1csc(N(CC[NH+](C)C)CC(C)C)n1 ZINC000133864588 196341209 /nfs/dbraw/zinc/34/12/09/196341209.db2.gz XLELJLSYYGMZOT-UHFFFAOYSA-N 1 0 313.467 2.273 10 0 DEAERO C[C@@H]1CCCC[C@]1(C[NH3+])NC(=O)c1snnc1C(C)(C)C ZINC000133951284 196349046 /nfs/dbraw/zinc/34/90/46/196349046.db2.gz MTIFYFVGSKTLTB-MEBBXXQBSA-N 1 0 310.467 2.473 10 0 DEAERO CC[N@@H+]1CCC[C@H](Nc2cnn(CC(C)C)c(=O)c2Cl)C1 ZINC000134138966 196365337 /nfs/dbraw/zinc/36/53/37/196365337.db2.gz HNXWSAZFYNNSJE-LBPRGKRZSA-N 1 0 312.845 2.449 10 0 DEAERO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(N)c1Br ZINC000134087340 196360260 /nfs/dbraw/zinc/36/02/60/196360260.db2.gz VXJYVGJXIDWAFG-VIFPVBQESA-N 1 0 314.227 2.101 10 0 DEAERO COc1cc([C@H](O)[C@@H]2CCC[NH2+]2)c(OC)cc1Br ZINC000134271372 196376311 /nfs/dbraw/zinc/37/63/11/196376311.db2.gz SHGKFYZEPIAAHM-GWCFXTLKSA-N 1 0 316.195 2.252 10 0 DEAERO CC[C@H](CCO)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000134389059 196385218 /nfs/dbraw/zinc/38/52/18/196385218.db2.gz BIUMHTBTDONMQG-LLVKDONJSA-N 1 0 315.211 2.138 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])C[C@@H](C)OC)c1Br ZINC000134454281 196392816 /nfs/dbraw/zinc/39/28/16/196392816.db2.gz FXKWSAYHAXXMKQ-BDAKNGLRSA-N 1 0 304.232 2.040 10 0 DEAERO C[NH2+][C@H]1CSC[C@H]1c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000134813845 196421226 /nfs/dbraw/zinc/42/12/26/196421226.db2.gz JIDKLBMVSJRFJP-NEPJUHHUSA-N 1 0 311.357 2.357 10 0 DEAERO CCC[NH2+][C@@H]1CSC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000134836434 196423026 /nfs/dbraw/zinc/42/30/26/196423026.db2.gz POQBTUVDHDISJB-ZYHUDNBSSA-N 1 0 308.382 2.469 10 0 DEAERO CC[C@@H]1CC[C@@H](C)N1S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000136105221 196520273 /nfs/dbraw/zinc/52/02/73/196520273.db2.gz GOURQADANUINEV-ZYHUDNBSSA-N 1 0 300.399 2.236 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2F)C[C@H]1C ZINC000189007927 225040769 /nfs/dbraw/zinc/04/07/69/225040769.db2.gz MDSLFWOOSPNZLS-VXGBXAGGSA-N 1 0 300.805 2.366 10 0 DEAERO c1ccc(COc2ccc(CN3CCO[C@@H]4C[NH2+]C[C@@H]43)cc2)cc1 ZINC000415136184 228639712 /nfs/dbraw/zinc/63/97/12/228639712.db2.gz CAZMUDRUPLMQMD-VQTJNVASSA-N 1 0 324.424 2.438 10 0 DEAERO NC(=O)[C@@H]1C[N@H+](Cc2cccc3cc[nH]c32)C[C@H]1C(F)(F)F ZINC000299743922 229380835 /nfs/dbraw/zinc/38/08/35/229380835.db2.gz PZLFYQBZKXTMLO-VXGBXAGGSA-N 1 0 311.307 2.264 10 0 DEAERO C[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)[C@H]1C[NH3+] ZINC000252214995 299853094 /nfs/dbraw/zinc/85/30/94/299853094.db2.gz XJWUAELKYUKTIL-GWCFXTLKSA-N 1 0 318.389 2.247 10 0 DEAERO C[C@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000046889422 424822434 /nfs/dbraw/zinc/82/24/34/424822434.db2.gz WKYWYTZQTSEGLB-HOTGVXAUSA-N 1 0 319.449 2.327 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2nc(SC)ncc2Cl)C1 ZINC000048753625 424835353 /nfs/dbraw/zinc/83/53/53/424835353.db2.gz BUNRBSCAMBPTON-VIFPVBQESA-N 1 0 314.842 2.066 10 0 DEAERO CCCCCCNC(=O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875887 424849526 /nfs/dbraw/zinc/84/95/26/424849526.db2.gz LZKWQGLSUNQWOC-UHFFFAOYSA-N 1 0 320.481 2.371 10 0 DEAERO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)nc2)CC1 ZINC000193759223 424871605 /nfs/dbraw/zinc/87/16/05/424871605.db2.gz OWWVODSUFMNYQR-UHFFFAOYSA-N 1 0 310.401 2.015 10 0 DEAERO C[NH+](C)CCOc1ccc(CNC(=O)Cc2ccccc2)cc1 ZINC000193965431 424872002 /nfs/dbraw/zinc/87/20/02/424872002.db2.gz AFWLUINRPBGHHR-UHFFFAOYSA-N 1 0 312.413 2.486 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2[S@@](=O)CC)C1 ZINC000194651067 424877434 /nfs/dbraw/zinc/87/74/34/424877434.db2.gz UPIIRURLLNEZGC-ASSNKEHSSA-N 1 0 308.447 2.028 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2cc(OC)cc(OC)c2)C1 ZINC000194641275 424877844 /nfs/dbraw/zinc/87/78/44/424877844.db2.gz ATLKUMUYEOAUJA-HNNXBMFYSA-N 1 0 320.433 2.237 10 0 DEAERO O=C(CCc1nc2ccccc2[nH]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195083138 424880793 /nfs/dbraw/zinc/88/07/93/424880793.db2.gz QHACUFVZNPZWKX-AWEZNQCLSA-N 1 0 312.417 2.192 10 0 DEAERO COc1ccc(Br)cc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000384960505 424911451 /nfs/dbraw/zinc/91/14/51/424911451.db2.gz IHGMMVOQUSTWKV-GZMMTYOYSA-N 1 0 313.195 2.019 10 0 DEAERO O[C@]1(CC[NH2+]Cc2csc(Br)c2)CCOC1 ZINC000404178886 424925512 /nfs/dbraw/zinc/92/55/12/424925512.db2.gz AUUNBJLGDCVDFC-LLVKDONJSA-N 1 0 306.225 2.142 10 0 DEAERO CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000403898835 424925623 /nfs/dbraw/zinc/92/56/23/424925623.db2.gz YZDUCJXPXAINAW-IAGOWNOFSA-N 1 0 307.434 2.454 10 0 DEAERO CCCC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404139314 424925643 /nfs/dbraw/zinc/92/56/43/424925643.db2.gz GMJGGIWWEMKKGY-IAGOWNOFSA-N 1 0 302.418 2.288 10 0 DEAERO c1cn(C2CCCC2)nc1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000404692934 424928065 /nfs/dbraw/zinc/92/80/65/424928065.db2.gz RLAUDUSXJRXTBX-CYBMUJFWSA-N 1 0 300.410 2.105 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1nscc1Br ZINC000404791291 424929249 /nfs/dbraw/zinc/92/92/49/424929249.db2.gz RIMQDHMYQGLZFG-APPZFPTMSA-N 1 0 318.240 2.248 10 0 DEAERO CCCN(C(=O)c1nscc1Br)[C@H]1CC[NH2+]C1 ZINC000404804175 424929586 /nfs/dbraw/zinc/92/95/86/424929586.db2.gz WTDDHRNAJXUUAU-QMMMGPOBSA-N 1 0 318.240 2.120 10 0 DEAERO C[NH+](C)CC1(NC(=O)c2nscc2Br)CCC1 ZINC000404975482 424930835 /nfs/dbraw/zinc/93/08/35/424930835.db2.gz AYJVSKKUFWYBDH-UHFFFAOYSA-N 1 0 318.240 2.120 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407316425 424932197 /nfs/dbraw/zinc/93/21/97/424932197.db2.gz POCDVOBHRMJPNN-KBRIMQKVSA-N 1 0 302.418 2.239 10 0 DEAERO CCCNC(=O)N1CCCCC[C@@H]1C[NH+]1CCC(OC)CC1 ZINC000257194664 424888803 /nfs/dbraw/zinc/88/88/03/424888803.db2.gz UMKSCUUNVNZYQB-OAHLLOKOSA-N 1 0 311.470 2.461 10 0 DEAERO C[C@@]1(C2CC2)C[N@H+](C[C@@H](O)COCc2ccccc2)CCO1 ZINC000661165600 425340215 /nfs/dbraw/zinc/34/02/15/425340215.db2.gz BYJLXGNBTJCMDE-MSOLQXFVSA-N 1 0 305.418 2.065 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2cccc(C)c2)[C@H](C)C1 ZINC000079461150 267376459 /nfs/dbraw/zinc/37/64/59/267376459.db2.gz FOSXTXNCNXASSE-SJLPKXTDSA-N 1 0 317.477 2.273 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)CC1=O ZINC000657694420 425387287 /nfs/dbraw/zinc/38/72/87/425387287.db2.gz MIBFKCUQDQFQTC-JTQLQIEISA-N 1 0 315.186 2.156 10 0 DEAERO C[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)[C@@H]1CCO ZINC000661492349 425421722 /nfs/dbraw/zinc/42/17/22/425421722.db2.gz YIVNOWRSUFWACU-BPQIPLTHSA-N 1 0 307.434 2.047 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000180801126 267602084 /nfs/dbraw/zinc/60/20/84/267602084.db2.gz SCNBKYOVLUUTFY-LSDHHAIUSA-N 1 0 322.453 2.475 10 0 DEAERO COC[C@@]1(C(=O)NCc2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000659359166 425584200 /nfs/dbraw/zinc/58/42/00/425584200.db2.gz OXLZCLHRDWPJRZ-CQSZACIVSA-N 1 0 317.216 2.378 10 0 DEAERO CC1CCC([NH+]2CCN(C(=O)[C@@H]3CCOC[C@@H]3C)CC2)CC1 ZINC000194374713 267784840 /nfs/dbraw/zinc/78/48/40/267784840.db2.gz FXDQHVKOZDJHNW-ODZFXCKXSA-N 1 0 308.466 2.382 10 0 DEAERO CN(C(=O)[C@H]1CSc2ccccc21)[C@@H](C[NH3+])C(F)(F)F ZINC000662980401 425771902 /nfs/dbraw/zinc/77/19/02/425771902.db2.gz GXNNBLHPRQDXJU-ONGXEEELSA-N 1 0 304.337 2.224 10 0 DEAERO COc1cc(NC(=O)N2CCC3(CC[NH2+]3)CC2)cc(OC)c1C ZINC000333348249 268930486 /nfs/dbraw/zinc/93/04/86/268930486.db2.gz ZUZIHADVRWNCMF-UHFFFAOYSA-N 1 0 319.405 2.372 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCOC[C@H]1c1ccc(F)cc1 ZINC000333468676 268951922 /nfs/dbraw/zinc/95/19/22/268951922.db2.gz AMLJFQYNKIWNSI-CVEARBPZSA-N 1 0 321.396 2.051 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C12CCCC2 ZINC000333800473 268993455 /nfs/dbraw/zinc/99/34/55/268993455.db2.gz HRZUCIZXGCOAHW-LVQVYYBASA-N 1 0 323.481 2.364 10 0 DEAERO c1c(C[NH2+]CCc2cnc(C3CC3)nc2)[nH]nc1-c1cccnc1 ZINC000359979155 269045623 /nfs/dbraw/zinc/04/56/23/269045623.db2.gz QNCVBBIOQHVKBW-UHFFFAOYSA-N 1 0 320.400 2.471 10 0 DEAERO CNC(=O)CCCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000363732366 269075027 /nfs/dbraw/zinc/07/50/27/269075027.db2.gz GCWZEJVRMPNBSF-MRXNPFEDSA-N 1 0 323.481 2.017 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(C)s1 ZINC000397289547 269105644 /nfs/dbraw/zinc/10/56/44/269105644.db2.gz WIBZGGNAQVIGKT-BREBYQMCSA-N 1 0 316.492 2.359 10 0 DEAERO CC(C)[C@H]1CC[C@H](C(=O)N2CCN(CC[NH+](C)C)CC2)CC1 ZINC000509668784 269319199 /nfs/dbraw/zinc/31/91/99/269319199.db2.gz RPPZZLXIPHWLLX-QAQDUYKDSA-N 1 0 309.498 2.155 10 0 DEAERO C[NH+](C)C1CCN(C(=O)Cc2noc(C=C3CCCC3)n2)CC1 ZINC000519742768 269425775 /nfs/dbraw/zinc/42/57/75/269425775.db2.gz VJCKUXOORZHMOW-UHFFFAOYSA-N 1 0 318.421 2.122 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)c2snnc2C(C)(C)C)CC1 ZINC000188913609 273529201 /nfs/dbraw/zinc/52/92/01/273529201.db2.gz WSJUKIDIMRMXHP-UHFFFAOYSA-N 1 0 310.467 2.438 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)C12CCC2 ZINC000172686162 273705069 /nfs/dbraw/zinc/70/50/69/273705069.db2.gz VMBUYADDLOHAGD-OWCLPIDISA-N 1 0 316.449 2.383 10 0 DEAERO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cccc2ccccc21 ZINC000122207774 273861463 /nfs/dbraw/zinc/86/14/63/273861463.db2.gz GPZUATWCJRFNCC-OAHLLOKOSA-N 1 0 304.415 2.198 10 0 DEAERO COc1ccccc1N1CC[C@H]([N@H+](C)[C@@H]2CCSC2)C1=O ZINC000248781080 274160920 /nfs/dbraw/zinc/16/09/20/274160920.db2.gz VIRACSVVWSOLFO-OCCSQVGLSA-N 1 0 306.431 2.238 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000186794428 274306979 /nfs/dbraw/zinc/30/69/79/274306979.db2.gz XFRHVRQSXUUJDO-ABAIWWIYSA-N 1 0 318.808 2.254 10 0 DEAERO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000176826269 276035690 /nfs/dbraw/zinc/03/56/90/276035690.db2.gz KGDDPTIHJGWYQV-NVXWUHKLSA-N 1 0 323.481 2.317 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000041604125 276111583 /nfs/dbraw/zinc/11/15/83/276111583.db2.gz DIHCGOZIZILXEF-HNNXBMFYSA-N 1 0 319.449 2.397 10 0 DEAERO CC1(C)C[C@@H]([NH2+]C2CCN(C(N)=O)CC2)c2ccccc2O1 ZINC000166040141 276142851 /nfs/dbraw/zinc/14/28/51/276142851.db2.gz LTBGBNYFJQEHGI-CQSZACIVSA-N 1 0 303.406 2.422 10 0 DEAERO CC1CCC(O)(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)CC1 ZINC000157967833 276191711 /nfs/dbraw/zinc/19/17/11/276191711.db2.gz XQAXFJCBBAYAMD-PQUAAJSLSA-N 1 0 310.482 2.113 10 0 DEAERO CCN(CC)C(=O)[C@H](c1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246258010 276320035 /nfs/dbraw/zinc/32/00/35/276320035.db2.gz FYHIYKZILKTDDY-ROUUACIJSA-N 1 0 315.461 2.376 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000332702898 276369041 /nfs/dbraw/zinc/36/90/41/276369041.db2.gz UDHGLTBZRNPWDR-CABCVRRESA-N 1 0 309.454 2.119 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ncc(-c3cccs3)o2)CC1 ZINC000174078959 276445723 /nfs/dbraw/zinc/44/57/23/276445723.db2.gz GTGHXQDHQYPUKG-CYBMUJFWSA-N 1 0 321.446 2.292 10 0 DEAERO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc(C)n(C)n2)cc1 ZINC000262109900 276690703 /nfs/dbraw/zinc/69/07/03/276690703.db2.gz ZWMIKOYREOQPIX-KRWDZBQOSA-N 1 0 312.417 2.078 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)Nc1nc2ccccn2n1)c1ccccc1 ZINC000184408657 276764573 /nfs/dbraw/zinc/76/45/73/276764573.db2.gz QZBXDMVUHJMMJC-CQSZACIVSA-N 1 0 324.388 2.154 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(c3ncncc3Br)CC[C@@H]21 ZINC000129182715 277070580 /nfs/dbraw/zinc/07/05/80/277070580.db2.gz IYRWQSFSNIODFH-PWSUYJOCSA-N 1 0 311.227 2.160 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000176299239 277080959 /nfs/dbraw/zinc/08/09/59/277080959.db2.gz KYGLEOQQXCDICV-IRXDYDNUSA-N 1 0 319.424 2.001 10 0 DEAERO COC1([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)CCOCC1 ZINC000453257589 277191091 /nfs/dbraw/zinc/19/10/91/277191091.db2.gz SGKBMTPUAQOBDT-SZMVWBNQSA-N 1 0 319.445 2.326 10 0 DEAERO C[N@H+]1C[C@H]2CN(C(=O)C3=Cc4cc(Cl)ccc4OC3)C[C@H]2C1 ZINC000192485872 277196399 /nfs/dbraw/zinc/19/63/99/277196399.db2.gz WRJNBLLUYKMELN-OKILXGFUSA-N 1 0 318.804 2.136 10 0 DEAERO CC(C)(C)c1nnc(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000261978212 277278639 /nfs/dbraw/zinc/27/86/39/277278639.db2.gz RIXIQTGFXKHCCW-UPJWGTAASA-N 1 0 324.494 2.082 10 0 DEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCS(=O)(=O)CC1 ZINC000036331460 277951107 /nfs/dbraw/zinc/95/11/07/277951107.db2.gz VQPBATSWOFPXKW-MRXNPFEDSA-N 1 0 309.431 2.239 10 0 DEAERO COc1ccccc1C[N@H+](CCO)C[C@@H](O)C1CCCCC1 ZINC000190512013 278049063 /nfs/dbraw/zinc/04/90/63/278049063.db2.gz KVEHXHVOTSRKCG-QGZVFWFLSA-N 1 0 307.434 2.431 10 0 DEAERO CC(=O)N1CC[C@H](N[C@@H]2C[NH2+]CCC2(F)F)c2ccccc2C1 ZINC000423481290 278056887 /nfs/dbraw/zinc/05/68/87/278056887.db2.gz NZELBEIEUOTMPC-JKSUJKDBSA-N 1 0 323.387 2.067 10 0 DEAERO CC(C)n1ccnc1CN1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000161864636 278134857 /nfs/dbraw/zinc/13/48/57/278134857.db2.gz QQRPTHWXLFAURN-KRWDZBQOSA-N 1 0 319.497 2.066 10 0 DEAERO C[C@H](CC1CCCC1)[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329023785 278166360 /nfs/dbraw/zinc/16/63/60/278166360.db2.gz NCFINTXSUOQYAG-SUYBPPKGSA-N 1 0 304.438 2.250 10 0 DEAERO CSc1cc2c(cc1CN1C[C@@H](C)[NH2+]C[C@H]1C)OCCO2 ZINC000262112462 278170104 /nfs/dbraw/zinc/17/01/04/278170104.db2.gz WPUPQJXUYVPMFF-VXGBXAGGSA-N 1 0 308.447 2.362 10 0 DEAERO C[C@H]1CCN(C(=O)c2ncccc2Br)[C@@H](C[NH3+])C1 ZINC000231770433 278364909 /nfs/dbraw/zinc/36/49/09/278364909.db2.gz CAMLFVBASJOGQR-VHSXEESVSA-N 1 0 312.211 2.044 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)[C@H]1C ZINC000262534887 278521484 /nfs/dbraw/zinc/52/14/84/278521484.db2.gz QFDVHGYPMUONGC-GDVJQSGWSA-N 1 0 308.466 2.460 10 0 DEAERO C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CC[C@@H]1c1ccccc1 ZINC000261762031 278674102 /nfs/dbraw/zinc/67/41/02/278674102.db2.gz LUGUTOBYTDINEZ-FHLIZLRMSA-N 1 0 316.445 2.393 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000262923411 278840102 /nfs/dbraw/zinc/84/01/02/278840102.db2.gz ZMTRIUJSOPOBNE-OSMZGAPFSA-N 1 0 308.809 2.005 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1nc2cccnc2s1 ZINC000193885183 278974615 /nfs/dbraw/zinc/97/46/15/278974615.db2.gz PMIZBHZTJZLUBB-NSHDSACASA-N 1 0 306.435 2.397 10 0 DEAERO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000471685109 279077275 /nfs/dbraw/zinc/07/72/75/279077275.db2.gz ACAJNVUIENGGFH-WZRBSPASSA-N 1 0 319.371 2.453 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000246218145 279671477 /nfs/dbraw/zinc/67/14/77/279671477.db2.gz GKJBOGYRKQAQQT-JHJVBQTASA-N 1 0 323.387 2.177 10 0 DEAERO C[C@H]1CCOCCN1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000362003983 279739983 /nfs/dbraw/zinc/73/99/83/279739983.db2.gz NCRQESJDMMJZIC-XJKSGUPXSA-N 1 0 323.412 2.249 10 0 DEAERO CCS(=O)(=O)c1ccccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130993404 280034819 /nfs/dbraw/zinc/03/48/19/280034819.db2.gz HEFBCEDGXPOJPH-MJBXVCDLSA-N 1 0 308.447 2.044 10 0 DEAERO O=C1[C@@H]([NH2+][C@H]2CCCc3occc32)CCN1C1CCOCC1 ZINC000373919805 280315532 /nfs/dbraw/zinc/31/55/32/280315532.db2.gz DMTVFMLCGTZIFS-GJZGRUSLSA-N 1 0 304.390 2.027 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@@H](C)c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000248460879 280365722 /nfs/dbraw/zinc/36/57/22/280365722.db2.gz TWSYWBKKFHYZCR-YQQAZPJKSA-N 1 0 304.434 2.094 10 0 DEAERO Cc1cccc(C(C)C)c1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358433523 281200087 /nfs/dbraw/zinc/20/00/87/281200087.db2.gz HYIBEVMYTRKCBY-QGZVFWFLSA-N 1 0 305.422 2.307 10 0 DEAERO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)s1 ZINC000358179127 281882317 /nfs/dbraw/zinc/88/23/17/281882317.db2.gz RELVIZLARVGDJI-FZMZJTMJSA-N 1 0 323.462 2.190 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1CCCS1)c1ccccc1 ZINC000162889956 289188716 /nfs/dbraw/zinc/18/87/16/289188716.db2.gz PAVHZTSGGICWRQ-LSDHHAIUSA-N 1 0 307.463 2.484 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000247340082 289306290 /nfs/dbraw/zinc/30/62/90/289306290.db2.gz XMYIPZHOYCOKGZ-LISAXSMJSA-N 1 0 323.481 2.196 10 0 DEAERO C[C@H](CNC1=[NH+]CCCN1)Oc1ccccc1Br ZINC000097011864 289686598 /nfs/dbraw/zinc/68/65/98/289686598.db2.gz PAQKITVFBRMBFG-SNVBAGLBSA-N 1 0 312.211 2.155 10 0 DEAERO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000191954678 295295690 /nfs/dbraw/zinc/29/56/90/295295690.db2.gz QDECZRFCXFFWHL-YOEHRIQHSA-N 1 0 320.433 2.153 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000247628816 297094518 /nfs/dbraw/zinc/09/45/18/297094518.db2.gz SNMKRXQGYZCGCP-OWCLPIDISA-N 1 0 321.465 2.356 10 0 DEAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000195077993 297145658 /nfs/dbraw/zinc/14/56/58/297145658.db2.gz DUSIUVMZPSIYKU-HONMWMINSA-N 1 0 314.223 2.497 10 0 DEAERO C[C@H]1CN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CCS1 ZINC000133295532 300115346 /nfs/dbraw/zinc/11/53/46/300115346.db2.gz PWLFULVILQBOEY-AWEZNQCLSA-N 1 0 304.459 2.272 10 0 DEAERO Cc1cc(C)c(C)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1C ZINC000038050000 301179665 /nfs/dbraw/zinc/17/96/65/301179665.db2.gz GQXMPIUZKKYVLV-GJZGRUSLSA-N 1 0 310.463 2.468 10 0 DEAERO Cc1ccc(C)c([C@@H]2CN(C(=O)[C@@H](C)C3C[NH2+]C3)[C@H](C)CO2)c1 ZINC000262327061 301559300 /nfs/dbraw/zinc/55/93/00/301559300.db2.gz DHYYIJDGSLXLEZ-VKJFTORMSA-N 1 0 316.445 2.447 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000261910870 302098562 /nfs/dbraw/zinc/09/85/62/302098562.db2.gz QEUHSYJGUZOUQU-TXPKVOOTSA-N 1 0 316.445 2.486 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCc3ncc(C)cc3C)[C@@H]2C1 ZINC000573115505 326025396 /nfs/dbraw/zinc/02/53/96/326025396.db2.gz YBGGFZNBJXUSHC-YQVWRLOYSA-N 1 0 315.461 2.478 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000573660620 326077956 /nfs/dbraw/zinc/07/79/56/326077956.db2.gz FQZWCRUWLKASLX-BETUJISGSA-N 1 0 313.401 2.350 10 0 DEAERO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NC1(CCO)CCCCC1 ZINC000576651503 326309310 /nfs/dbraw/zinc/30/93/10/326309310.db2.gz MSRPNYSSSINQDY-MRXNPFEDSA-N 1 0 323.481 2.388 10 0 DEAERO CC[C@H]1CN(c2nc3c(cccc3F)o2)CC[N@@H+]1C[C@H](C)O ZINC000577445702 326365995 /nfs/dbraw/zinc/36/59/95/326365995.db2.gz HEJNXLRFERBCLP-RYUDHWBXSA-N 1 0 307.369 2.248 10 0 DEAERO C[C@H]1CCN(C(=O)c2coc(Br)c2)C[C@@H]1C[NH3+] ZINC000378894563 333061003 /nfs/dbraw/zinc/06/10/03/333061003.db2.gz BPKWKXYHKCVVKT-WPRPVWTQSA-N 1 0 301.184 2.099 10 0 DEAERO O=C(NCCOCC1CCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000583667682 336284771 /nfs/dbraw/zinc/28/47/71/336284771.db2.gz LAGYGOMROLJKRO-UHFFFAOYSA-N 1 0 323.481 2.463 10 0 DEAERO CC(=O)c1cnc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)s1 ZINC000583260242 337291167 /nfs/dbraw/zinc/29/11/67/337291167.db2.gz LGSCRTYXUQUFRH-LBPRGKRZSA-N 1 0 301.371 2.171 10 0 DEAERO CCCCOC[C@H](O)C[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398014627 337303888 /nfs/dbraw/zinc/30/38/88/337303888.db2.gz FVCJQJABFWECGI-NZSAHSFTSA-N 1 0 320.477 2.417 10 0 DEAERO Cn1cc(-c2cc3c([nH]2)c(C(N)=O)ccc3[C@H]2CCC[NH2+]C2)cn1 ZINC000584619676 337374566 /nfs/dbraw/zinc/37/45/66/337374566.db2.gz YKMYELXGLDQZTB-NSHDSACASA-N 1 0 323.400 2.134 10 0 DEAERO C/C=C/C=C/COC[C@H](O)C[NH2+]CCOc1ccccc1OC ZINC000584627798 337376219 /nfs/dbraw/zinc/37/62/19/337376219.db2.gz CWVMUVPLVDOCNW-XYWKEYTNSA-N 1 0 321.417 2.173 10 0 DEAERO [NH3+]C[C@H](Cc1cccc(F)c1)N1CCC(O)(C(F)(F)F)CC1 ZINC000584637066 337379435 /nfs/dbraw/zinc/37/94/35/337379435.db2.gz RLOLFHVXDGRMAP-ZDUSSCGKSA-N 1 0 320.330 2.085 10 0 DEAERO COc1cc(C[N@H+](C)CCCO)ccc1OCC(F)(F)F ZINC000442958969 533780362 /nfs/dbraw/zinc/78/03/62/533780362.db2.gz DGHIWKOPAFAVGU-UHFFFAOYSA-N 1 0 307.312 2.451 10 0 DEAERO Cc1c([C@H]2[C@H]([NH2+]C/C=C\c3ccccc3)CC(=O)N2C)cnn1C ZINC000427981572 533959712 /nfs/dbraw/zinc/95/97/12/533959712.db2.gz OYLNQOIZPZQSGE-YXGRLTDGSA-N 1 0 324.428 2.303 10 0 DEAERO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(CCO)CC1 ZINC000188063077 534173305 /nfs/dbraw/zinc/17/33/05/534173305.db2.gz MKNWMTLPSXWJOZ-ZDUSSCGKSA-N 1 0 306.406 2.165 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2cc(C(C)(C)C)no2)C1 ZINC000188017087 534203225 /nfs/dbraw/zinc/20/32/25/534203225.db2.gz WNJMXTZURFBIQA-SJKOYZFVSA-N 1 0 323.437 2.394 10 0 DEAERO COC(=O)c1ccc(NCC[N@@H+]2CCC[C@H](C)C2)nc1OC ZINC000302326137 534224220 /nfs/dbraw/zinc/22/42/20/534224220.db2.gz SLMCKNCIIKNQRU-LBPRGKRZSA-N 1 0 307.394 2.021 10 0 DEAERO COC(=O)c1ccccc1OCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191153781 534294203 /nfs/dbraw/zinc/29/42/03/534294203.db2.gz BUYZTFIBOCJVIZ-STQMWFEESA-N 1 0 307.390 2.086 10 0 DEAERO C1CC[NH+]([C@H]2CCCN(c3nnc(C4CCOCC4)s3)C2)C1 ZINC000338652588 518580253 /nfs/dbraw/zinc/58/02/53/518580253.db2.gz RKCCAEDDXTXYNC-AWEZNQCLSA-N 1 0 322.478 2.497 10 0 DEAERO CC(C)[C@H](C)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245812238 519810417 /nfs/dbraw/zinc/81/04/17/519810417.db2.gz CNEYDJIWHARUTB-BHYGNILZSA-N 1 0 304.434 2.030 10 0 DEAERO CC(C)c1ncc(C(=O)NCCCC[NH+]2CCOCC2)s1 ZINC000159080398 519873346 /nfs/dbraw/zinc/87/33/46/519873346.db2.gz ULOITJIBZUWZCF-UHFFFAOYSA-N 1 0 311.451 2.109 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000106112452 519921977 /nfs/dbraw/zinc/92/19/77/519921977.db2.gz IKSMGWHYRSJJCF-AWEZNQCLSA-N 1 0 310.413 2.377 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)[C@]12CCCO2 ZINC000366009232 520428413 /nfs/dbraw/zinc/42/84/13/520428413.db2.gz LIVVYKSLSAEDSQ-GVDBMIGSSA-N 1 0 317.389 2.486 10 0 DEAERO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C)[C@@H](C)CO)cc1 ZINC000131796969 520697937 /nfs/dbraw/zinc/69/79/37/520697937.db2.gz JLJYICPMOKZRDM-LSDHHAIUSA-N 1 0 322.449 2.154 10 0 DEAERO c1nc2cnccn2c1C[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000299744864 534538298 /nfs/dbraw/zinc/53/82/98/534538298.db2.gz VAOBDRRFQCFZKZ-CQSZACIVSA-N 1 0 322.416 2.252 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@](C)(O)[C@H](C)c2ccccc2)C1 ZINC000245416735 521647038 /nfs/dbraw/zinc/64/70/38/521647038.db2.gz IRTSBQYLCAWBGW-UWWQBHOKSA-N 1 0 304.434 2.142 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NOCc2ccccc2)[C@H](C)C1 ZINC000129037164 521712317 /nfs/dbraw/zinc/71/23/17/521712317.db2.gz URZUIMKVGXMYIJ-GDBMZVCRSA-N 1 0 305.422 2.490 10 0 DEAERO C[NH+](C)Cc1cccc(CNC(=O)c2cnn3c2CCCC3)c1 ZINC000126930434 521922544 /nfs/dbraw/zinc/92/25/44/521922544.db2.gz PZAGXQJNXPKNEX-UHFFFAOYSA-N 1 0 312.417 2.211 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000246269374 522049958 /nfs/dbraw/zinc/04/99/58/522049958.db2.gz LQZBCXCEQHXQPE-VBNZEHGJSA-N 1 0 315.417 2.105 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000170865899 522102097 /nfs/dbraw/zinc/10/20/97/522102097.db2.gz YREOBAACAGPNSY-LBPRGKRZSA-N 1 0 316.323 2.290 10 0 DEAERO COc1cc(OC)cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000247069915 522854478 /nfs/dbraw/zinc/85/44/78/522854478.db2.gz IUQKDVDEGPODLR-BLLLJJGKSA-N 1 0 306.406 2.162 10 0 DEAERO CCc1noc([C@H](C)N2CC[NH+](CCCOC(C)C)CC2)n1 ZINC000105916396 522913890 /nfs/dbraw/zinc/91/38/90/522913890.db2.gz UCNZDKQXUJQNEN-AWEZNQCLSA-N 1 0 310.442 2.126 10 0 DEAERO CC[C@H]1CN(C(=O)Cc2ccccc2Cl)CC[N@@H+]1CCOC ZINC000117305617 523229296 /nfs/dbraw/zinc/22/92/96/523229296.db2.gz ZQOCVULURVOJCG-HNNXBMFYSA-N 1 0 324.852 2.452 10 0 DEAERO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000248993176 523643420 /nfs/dbraw/zinc/64/34/20/523643420.db2.gz OAVRZCBYSBZKMU-WQLIQUDQSA-N 1 0 322.474 2.057 10 0 DEAERO CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CCC(CO)CC1 ZINC000365961892 523905593 /nfs/dbraw/zinc/90/55/93/523905593.db2.gz NIPQJHVEVPEJLX-MQBCKMQZSA-N 1 0 314.445 2.208 10 0 DEAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCC(=O)NCC(=O)OC)o1 ZINC000124854778 524035668 /nfs/dbraw/zinc/03/56/68/524035668.db2.gz HXYMWEOQTKFBKA-AWEZNQCLSA-N 1 0 322.405 2.048 10 0 DEAERO C[C@@H](C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1)[C@H](C)[NH3+] ZINC000249025225 524092022 /nfs/dbraw/zinc/09/20/22/524092022.db2.gz LJCLITGVUZLNOM-IJEWVQPXSA-N 1 0 316.401 2.325 10 0 DEAERO Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)nn1C(C)(C)C ZINC000247327394 524155664 /nfs/dbraw/zinc/15/56/64/524155664.db2.gz MURWMMXXBXNGMB-DOMZBBRYSA-N 1 0 306.454 2.405 10 0 DEAERO Cc1cc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)ccc1-n1cncn1 ZINC000128368620 524706433 /nfs/dbraw/zinc/70/64/33/524706433.db2.gz LVUCOHGUEHLVRF-MRXNPFEDSA-N 1 0 322.416 2.299 10 0 DEAERO C[C@@H](CO)[C@@H](C)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246993952 524809424 /nfs/dbraw/zinc/80/94/24/524809424.db2.gz HWKRVOZZLSEFML-LJISPDSOSA-N 1 0 313.486 2.059 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000249787323 524841411 /nfs/dbraw/zinc/84/14/11/524841411.db2.gz DQFKADOOJVCATM-KNPMLCFXSA-N 1 0 315.417 2.009 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C[S@](C)=O)c2)CC[N@@H+]1C ZINC000127780327 525414593 /nfs/dbraw/zinc/41/45/93/525414593.db2.gz NZZCBILOMCYMSD-GGRMYQCBSA-N 1 0 322.474 2.120 10 0 DEAERO Cc1cc2c(cc1C)O[C@@H](C(=O)N(C)C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000237218859 525594889 /nfs/dbraw/zinc/59/48/89/525594889.db2.gz ZHPWPTITSTUXAN-IXEWLPCDSA-N 1 0 314.429 2.348 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000341999090 534870559 /nfs/dbraw/zinc/87/05/59/534870559.db2.gz WXKNSBZPJMLLAU-CXAGYDPISA-N 1 0 321.417 2.034 10 0 DEAERO Cc1ccnc(C2CC[NH+](CCC(=O)NC3CCCC3)CC2)n1 ZINC000364961207 525640058 /nfs/dbraw/zinc/64/00/58/525640058.db2.gz YABZAXVJZFYYES-UHFFFAOYSA-N 1 0 316.449 2.413 10 0 DEAERO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000161781095 525892234 /nfs/dbraw/zinc/89/22/34/525892234.db2.gz IHVKWLQLAOBAKY-GJZGRUSLSA-N 1 0 322.474 2.389 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2COCC2(C)C)c1 ZINC000451815545 534892372 /nfs/dbraw/zinc/89/23/72/534892372.db2.gz ZYFFWARBVQLQOF-XHDPSFHLSA-N 1 0 304.390 2.231 10 0 DEAERO Fc1cccc(OCC[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000105799836 526395516 /nfs/dbraw/zinc/39/55/16/526395516.db2.gz XTOFGPYGDXYLPP-UHFFFAOYSA-N 1 0 316.380 2.207 10 0 DEAERO Cc1noc(CSc2ccccc2C(=O)NCCCC[NH3+])n1 ZINC000237637354 526628823 /nfs/dbraw/zinc/62/88/23/526628823.db2.gz FZOWMYJZYWJPJZ-UHFFFAOYSA-N 1 0 320.418 2.139 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)Nc1cccc2c1OCCC2 ZINC000374554279 536507098 /nfs/dbraw/zinc/50/70/98/536507098.db2.gz OYUIEUCKAXFODO-UHFFFAOYSA-N 1 0 321.421 2.101 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)C1 ZINC000246721126 527365769 /nfs/dbraw/zinc/36/57/69/527365769.db2.gz XOXWCGPEOLQJNA-UMVBOHGHSA-N 1 0 316.401 2.249 10 0 DEAERO [NH3+][C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)C1CC1 ZINC000237960201 527387007 /nfs/dbraw/zinc/38/70/07/527387007.db2.gz QHMVKQZRYGFQDR-OAHLLOKOSA-N 1 0 322.836 2.242 10 0 DEAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H](CO)[C@@H](C)O ZINC000419797515 527499896 /nfs/dbraw/zinc/49/98/96/527499896.db2.gz UBJLJKXVBIRIJX-NSSNTSGZSA-N 1 0 303.324 2.440 10 0 DEAERO CC[N@H+](C)[C@H]1CCN(c2cc(COC)nc(C(C)(C)C)n2)C1 ZINC000302610220 527864259 /nfs/dbraw/zinc/86/42/59/527864259.db2.gz AMYUXZPZAOLEIU-AWEZNQCLSA-N 1 0 306.454 2.451 10 0 DEAERO CCC[C@@]1(COC)CCCN1C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000193471747 527955712 /nfs/dbraw/zinc/95/57/12/527955712.db2.gz YPXWIVAFZDIVBD-WBVHZDCISA-N 1 0 311.470 2.461 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cc1 ZINC000362093986 536527057 /nfs/dbraw/zinc/52/70/57/536527057.db2.gz GOCJKDGBHUGUKY-UGSOOPFHSA-N 1 0 323.433 2.309 10 0 DEAERO CC[N@H+](CCCO)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443615940 528468996 /nfs/dbraw/zinc/46/89/96/528468996.db2.gz PHSWQKQADSMUET-CYBMUJFWSA-N 1 0 305.340 2.313 10 0 DEAERO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000328938008 529302447 /nfs/dbraw/zinc/30/24/47/529302447.db2.gz GONINTBRKVFVML-ATNYBXOESA-N 1 0 318.465 2.498 10 0 DEAERO CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262292822 535126465 /nfs/dbraw/zinc/12/64/65/535126465.db2.gz YTJKUKJJVONNOI-JTQLQIEISA-N 1 0 323.824 2.274 10 0 DEAERO CCCNC(=O)c1cccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261792429 535138318 /nfs/dbraw/zinc/13/83/18/535138318.db2.gz IGJZGIUXRMFFBH-HNNXBMFYSA-N 1 0 317.433 2.026 10 0 DEAERO CC(C)COc1ccc([C@@H](C)NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261927038 535233867 /nfs/dbraw/zinc/23/38/67/535233867.db2.gz VUZWJKKOSYUVLI-CQSZACIVSA-N 1 0 320.433 2.407 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@](C)(CO)C2CCCCC2)CC1 ZINC000358664856 535243741 /nfs/dbraw/zinc/24/37/41/535243741.db2.gz LJZNOKSKHKBFOK-GOSISDBHSA-N 1 0 323.481 2.269 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H](C)Cc2ccc(O)cc2)CC1 ZINC000358631040 535244456 /nfs/dbraw/zinc/24/44/56/535244456.db2.gz BUKSHEYCOQEXHL-OAHLLOKOSA-N 1 0 317.433 2.274 10 0 DEAERO CC1(C)CN(C(=O)Cc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000261791595 535336291 /nfs/dbraw/zinc/33/62/91/535336291.db2.gz GOLOXABQVXCMHG-CYBMUJFWSA-N 1 0 312.360 2.416 10 0 DEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)C1(C)C ZINC000358672297 535388920 /nfs/dbraw/zinc/38/89/20/535388920.db2.gz VMFKXNCDTLFIGI-HZPDHXFCSA-N 1 0 323.481 2.483 10 0 DEAERO CCCc1cc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)n(C)n1 ZINC000246526037 535408510 /nfs/dbraw/zinc/40/85/10/535408510.db2.gz VAOVCDMSZUPNGP-OCCSQVGLSA-N 1 0 307.442 2.223 10 0 DEAERO CCOCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309931493 535418942 /nfs/dbraw/zinc/41/89/42/535418942.db2.gz WKYFEGDLKNWOQH-GVDBMIGSSA-N 1 0 302.418 2.050 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NCc2ncccc2OC)CC1 ZINC000454653426 535448600 /nfs/dbraw/zinc/44/86/00/535448600.db2.gz NUGGSHUWJKOPOT-UHFFFAOYSA-N 1 0 320.437 2.011 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000371774653 535449030 /nfs/dbraw/zinc/44/90/30/535449030.db2.gz RQKYQBFMKOQEFE-WMZOPIPTSA-N 1 0 323.481 2.365 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000359492791 535450667 /nfs/dbraw/zinc/45/06/67/535450667.db2.gz JTUSHPQIOJBBFS-UHFFFAOYSA-N 1 0 314.433 2.495 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247188150 535484615 /nfs/dbraw/zinc/48/46/15/535484615.db2.gz ZQTNMAYOCBRKDM-LZLYRXPVSA-N 1 0 323.481 2.197 10 0 DEAERO CCO[C@H](CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C(C)C ZINC000245417305 535605361 /nfs/dbraw/zinc/60/53/61/535605361.db2.gz FYFIAWSOQVUHPZ-JKSUJKDBSA-N 1 0 311.470 2.317 10 0 DEAERO CCN(C(C)=O)c1nc(CN2CC[C@@H](C)C[C@H]2C[NH3+])cs1 ZINC000261600933 535704292 /nfs/dbraw/zinc/70/42/92/535704292.db2.gz YVFKFNVPXCVYFG-RISCZKNCSA-N 1 0 310.467 2.075 10 0 DEAERO Cn1nc(-c2ccccc2)cc1C(=O)NCCCC[NH+](C)C ZINC000449879925 535830057 /nfs/dbraw/zinc/83/00/57/535830057.db2.gz KRWQGMGYYGZXLN-UHFFFAOYSA-N 1 0 300.406 2.159 10 0 DEAERO CCc1noc(C)c1CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000455012532 535881404 /nfs/dbraw/zinc/88/14/04/535881404.db2.gz PMQLDJMXTXUPEX-UHFFFAOYSA-N 1 0 322.453 2.467 10 0 DEAERO CCc1noc(CC)c1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246143208 535893354 /nfs/dbraw/zinc/89/33/54/535893354.db2.gz BHZVSRVVEDHJQJ-CHWSQXEVSA-N 1 0 320.437 2.178 10 0 DEAERO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000192027047 536100481 /nfs/dbraw/zinc/10/04/81/536100481.db2.gz OMMRZNJSEXOWLM-UONOGXRCSA-N 1 0 308.426 2.110 10 0 DEAERO CC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccncc1 ZINC000247260751 536164966 /nfs/dbraw/zinc/16/49/66/536164966.db2.gz ZYEAUIVDRSYPPT-BMFZPTHFSA-N 1 0 302.422 2.411 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc(-c2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000261609846 536345576 /nfs/dbraw/zinc/34/55/76/536345576.db2.gz AQDVCRFXEDHNTM-VIFPVBQESA-N 1 0 301.325 2.416 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc([C@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000261611311 536350304 /nfs/dbraw/zinc/35/03/04/536350304.db2.gz 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CC(C)[C@@H]([NH3+])CNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000070463616 623547415 /nfs/dbraw/zinc/54/74/15/623547415.db2.gz GMGBHUGJMQMYPB-NSHDSACASA-N 1 0 310.341 2.375 10 0 DEAERO CN(C1(C[NH3+])CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000050092694 623766780 /nfs/dbraw/zinc/76/67/80/623766780.db2.gz PHGLRUUVIDHKCS-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO F[C@H]1CC2(CC[C@@H]1[NH+]1CCC(c3cc[nH]n3)CC1)OCCO2 ZINC000891891048 624647156 /nfs/dbraw/zinc/64/71/56/624647156.db2.gz KXKSXUAHCDABHW-ZFWWWQNUSA-N 1 0 309.385 2.223 10 0 DEAERO C[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000049646050 624907611 /nfs/dbraw/zinc/90/76/11/624907611.db2.gz RSFFFXXOJSBROL-MFKMUULPSA-N 1 0 302.827 2.072 10 0 DEAERO CC(C)c1noc(CCC[NH2+]C2CCC3(CC2)OCCO3)n1 ZINC000161458251 625084600 /nfs/dbraw/zinc/08/46/00/625084600.db2.gz FNOABCZUWBCOBK-UHFFFAOYSA-N 1 0 309.410 2.401 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)NCCc1ccc(Cl)cc1Cl ZINC000052791106 625103265 /nfs/dbraw/zinc/10/32/65/625103265.db2.gz 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CC(C)(C)OC(=O)NCC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000749166839 638619789 /nfs/dbraw/zinc/61/97/89/638619789.db2.gz ZRVWYGJVFMXYSH-UHFFFAOYSA-N 1 0 306.406 2.318 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](C)c1ccncc1 ZINC000749833360 638686507 /nfs/dbraw/zinc/68/65/07/638686507.db2.gz NQIXZACTISAVIB-UKRRQHHQSA-N 1 0 306.479 2.134 10 0 DEAERO COC(=O)/C(C)=C\C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000752344585 639173906 /nfs/dbraw/zinc/17/39/06/639173906.db2.gz GCUMJUGHKMSVCN-KCPLEYNQSA-N 1 0 303.402 2.439 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc3oc(=O)ccc3c2)C1 ZINC000067719917 640629229 /nfs/dbraw/zinc/62/92/29/640629229.db2.gz KWKMNEDNNFPTAP-CQSZACIVSA-N 1 0 315.373 2.399 10 0 DEAERO COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2C[C@H](O)CC[C@@H]2C)cc1 ZINC000897995608 640987550 /nfs/dbraw/zinc/98/75/50/640987550.db2.gz GUUFGOUZNIGUMY-LXZKKBNFSA-N 1 0 320.433 2.106 10 0 DEAERO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCO[C@@H](C(F)F)C1 ZINC000801420877 645394049 /nfs/dbraw/zinc/39/40/49/645394049.db2.gz 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646452541 /nfs/dbraw/zinc/45/25/41/646452541.db2.gz ZJVYVLRHPYDOCE-INIZCTEOSA-N 1 0 311.385 2.474 10 0 DEAERO COc1c2c(sc1C(=O)NC1CC[NH+](C)CC1)CCCC2 ZINC000223457148 646495519 /nfs/dbraw/zinc/49/55/19/646495519.db2.gz BIHQEZYVILTINI-UHFFFAOYSA-N 1 0 308.447 2.460 10 0 DEAERO Cc1cc2c(nc(N(C)C)nc2N2CCCC[C@@H]2CCO)[nH]1 ZINC000223907792 646506264 /nfs/dbraw/zinc/50/62/64/646506264.db2.gz UKZOSTUTGOYFOP-GFCCVEGCSA-N 1 0 303.410 2.074 10 0 DEAERO Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(N)[nH+]1 ZINC000045723674 646527880 /nfs/dbraw/zinc/52/78/80/646527880.db2.gz YYYKWUNKHISWHS-UHFFFAOYSA-N 1 0 303.797 2.347 10 0 DEAERO Cc1ccc(O)c(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)n1 ZINC000227757920 646606241 /nfs/dbraw/zinc/60/62/41/646606241.db2.gz WORIBVPPSLRRAF-AATRIKPKSA-N 1 0 307.394 2.266 10 0 DEAERO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC2(CCCCC2)CC1 ZINC000061823032 646709663 /nfs/dbraw/zinc/70/96/63/646709663.db2.gz LPOGQBNFPSOMEB-AWEZNQCLSA-N 1 0 300.468 2.115 10 0 DEAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCC(C)=O)C1 ZINC000173647368 646775927 /nfs/dbraw/zinc/77/59/27/646775927.db2.gz RSAZOLFHCPYWBB-GFCCVEGCSA-N 1 0 308.344 2.088 10 0 DEAERO CCCOC(=O)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000730238663 646851924 /nfs/dbraw/zinc/85/19/24/646851924.db2.gz TXRKSXMRPHIVSP-UHFFFAOYSA-N 1 0 318.417 2.356 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)C[C@H]2CSCCS2)CC1 ZINC000153376685 647431162 /nfs/dbraw/zinc/43/11/62/647431162.db2.gz ZEPFKTLAWCJVEY-RUXDESIVSA-N 1 0 316.536 2.462 10 0 DEAERO C[C@@H](CNC(=O)c1cc(Cl)nc(N(C)C)c1)[NH+]1CCCCC1 ZINC000733135189 647892232 /nfs/dbraw/zinc/89/22/32/647892232.db2.gz RUYQGQUTTSFLGM-LBPRGKRZSA-N 1 0 324.856 2.405 10 0 DEAERO C[C@@H]([NH2+]CC1(CO)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000154744291 648083752 /nfs/dbraw/zinc/08/37/52/648083752.db2.gz JKTJXZKVZQMADS-ZIAGYGMSSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@H]([NH2+]CCCn1ccnn1)c1ccc(N2CCCC2=O)cc1 ZINC000184261556 649251509 /nfs/dbraw/zinc/25/15/09/649251509.db2.gz 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ZKDWZDHSRMYYQC-UHFFFAOYSA-N 1 0 324.265 2.176 10 0 DEAERO CCNC(=O)[C@H](C)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716729470 793003289 /nfs/dbraw/zinc/00/32/89/793003289.db2.gz CIAYLWNORGRUIJ-OWLYRPNTSA-N 1 0 315.461 2.154 10 0 DEAERO COC[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000245679183 797955382 /nfs/dbraw/zinc/95/53/82/797955382.db2.gz USIURASNTJSNGP-YESZJQIVSA-N 1 0 317.433 2.156 10 0 DEAERO CC[NH2+]CCCNS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000209255307 799160684 /nfs/dbraw/zinc/16/06/84/799160684.db2.gz OQWILIAUZWMBMM-FLIBITNWSA-N 1 0 302.827 2.230 10 0 DEAERO FC(F)(F)c1cscc1-c1nc(N2CC[NH2+]CC2)no1 ZINC000717182524 799257756 /nfs/dbraw/zinc/25/77/56/799257756.db2.gz BIOICVZMHKGESG-UHFFFAOYSA-N 1 0 304.297 2.227 10 0 DEAERO CCOc1ccc(F)c(C(=O)OCCC[NH+]2CCCC2)c1N ZINC000800174717 799330934 /nfs/dbraw/zinc/33/09/34/799330934.db2.gz UJJLORHVLUFUHL-UHFFFAOYSA-N 1 0 310.369 2.449 10 0 DEAERO CC1(C)CO[C@@H](CC[NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC000717386776 799393965 /nfs/dbraw/zinc/39/39/65/799393965.db2.gz ICSIWQWCGOYGFO-SJORKVTESA-N 1 0 307.434 2.359 10 0 DEAERO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000222021007 799415941 /nfs/dbraw/zinc/41/59/41/799415941.db2.gz MXSXBZANISHRNJ-VIFPVBQESA-N 1 0 308.806 2.069 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000717595565 799424565 /nfs/dbraw/zinc/42/45/65/799424565.db2.gz SBWZKLRFXVWTHN-SNPRPXQTSA-N 1 0 312.454 2.383 10 0 DEAERO O=C(OCc1ccccc1)N1CC[C@H]([NH2+][C@@H](CO)C2CCC2)C1 ZINC000717593440 799425600 /nfs/dbraw/zinc/42/56/00/799425600.db2.gz LPKMASHPHGVSGF-IRXDYDNUSA-N 1 0 318.417 2.148 10 0 DEAERO O=S(=O)(N[C@H]1CC[NH2+]C12CCCC2)c1ccc(Cl)s1 ZINC000401604104 801834832 /nfs/dbraw/zinc/83/48/32/801834832.db2.gz GGGLZUWTRSSDQN-VIFPVBQESA-N 1 0 320.867 2.355 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCc2cn(C)cn2)CN(C(=O)OC(C)(C)C)C1 ZINC000401639923 801835467 /nfs/dbraw/zinc/83/54/67/801835467.db2.gz GQNAJOKMQRTKGO-HIFRSBDPSA-N 1 0 322.453 2.198 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401670564 801839965 /nfs/dbraw/zinc/83/99/65/801839965.db2.gz BBEITRWNDSEETF-UKRRQHHQSA-N 1 0 322.453 2.198 10 0 DEAERO Cc1nccn1CC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401712011 801844523 /nfs/dbraw/zinc/84/45/23/801844523.db2.gz WBAVZPPDMBXGMV-UKRRQHHQSA-N 1 0 322.453 2.427 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCn2ccnc2)CN(C(=O)OC(C)(C)C)C1 ZINC000401726745 801846145 /nfs/dbraw/zinc/84/61/45/801846145.db2.gz MDZYZROFROPMHM-UONOGXRCSA-N 1 0 308.426 2.118 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCCCCO)CN(C(=O)OC(C)(C)C)C1 ZINC000401738619 801846808 /nfs/dbraw/zinc/84/68/08/801846808.db2.gz QGRPTYYTMFETLN-KGLIPLIRSA-N 1 0 300.443 2.384 10 0 DEAERO C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401755398 801848522 /nfs/dbraw/zinc/84/85/22/801848522.db2.gz DKYVEZBPBHTKDQ-XDQVBPFNSA-N 1 0 300.443 2.381 10 0 DEAERO C[C@@H]([NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)C(C)(C)O ZINC000401778244 801849877 /nfs/dbraw/zinc/84/98/77/801849877.db2.gz OPMJCHBGJKREGH-UPJWGTAASA-N 1 0 300.443 2.381 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CO)CN(C(=O)OC(C)(C)C)C1 ZINC000401767298 801849965 /nfs/dbraw/zinc/84/99/65/801849965.db2.gz MIADFQCGBNJFSC-CHWSQXEVSA-N 1 0 300.443 2.240 10 0 DEAERO FCCC[NH+]1CCN(Cc2cccc(Br)n2)CC1 ZINC000402705702 801902326 /nfs/dbraw/zinc/90/23/26/801902326.db2.gz AKMRFWVYMBQYGK-UHFFFAOYSA-N 1 0 316.218 2.321 10 0 DEAERO [NH3+]CC1(CCNS(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000404570169 802024012 /nfs/dbraw/zinc/02/40/12/802024012.db2.gz HJPRFPAGLJIIAX-BJMVGYQFSA-N 1 0 314.838 2.359 10 0 DEAERO Cn1cnc(CC[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1 ZINC000404792363 802031164 /nfs/dbraw/zinc/03/11/64/802031164.db2.gz FTDXFMGKCMLMAW-ZIAGYGMSSA-N 1 0 322.453 2.244 10 0 DEAERO CCNc1ncc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1Cl ZINC000050779766 1078477808 /nfs/dbraw/zinc/47/78/08/1078477808.db2.gz WTHBFUSMCXVGIA-ZDUSSCGKSA-N 1 0 312.845 2.483 10 0 DEAERO CC(=O)N1CCC([NH2+]CCOc2ccc3c(c2)CCC3)CC1 ZINC000077589799 1080484158 /nfs/dbraw/zinc/48/41/58/1080484158.db2.gz MLRBBFUNCGPYAH-UHFFFAOYSA-N 1 0 302.418 2.155 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCOCC(F)F)C1 ZINC000711502613 1081294994 /nfs/dbraw/zinc/29/49/94/1081294994.db2.gz BZBPRYBFPPLXLA-PHIMTYICSA-N 1 0 308.369 2.161 10 0 DEAERO CC(C)(CCS(=O)(=O)NCCC1CC[NH2+]CC1)C1CC1 ZINC000717928800 1081800816 /nfs/dbraw/zinc/80/08/16/1081800816.db2.gz CYMSZTSHIARURN-UHFFFAOYSA-N 1 0 302.484 2.122 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)CCC(C)(C)C1CC1 ZINC000717938957 1081820408 /nfs/dbraw/zinc/82/04/08/1081820408.db2.gz SHTXSXXIHOKIHI-GXTWGEPZSA-N 1 0 302.484 2.344 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Br)cn1 ZINC000720819083 1086169603 /nfs/dbraw/zinc/16/96/03/1086169603.db2.gz YFTOEBIZYRDAMV-CHWSQXEVSA-N 1 0 324.222 2.153 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1[NH3+] ZINC000720838937 1086195884 /nfs/dbraw/zinc/19/58/84/1086195884.db2.gz ZQFQJAUDHHHKQP-LLVKDONJSA-N 1 0 323.245 2.351 10 0 DEAERO c1nn(Cc2ccccc2)cc1C[NH2+]CCOC1CCOCC1 ZINC000701391153 1086363374 /nfs/dbraw/zinc/36/33/74/1086363374.db2.gz VWEDWBWNLBKIIV-UHFFFAOYSA-N 1 0 315.417 2.217 10 0 DEAERO O=C(c1ccccc1Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702240488 1086415868 /nfs/dbraw/zinc/41/58/68/1086415868.db2.gz WCACPDSZPFABDC-NSHDSACASA-N 1 0 309.207 2.369 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCCCCCC1 ZINC000702388793 1086425832 /nfs/dbraw/zinc/42/58/32/1086425832.db2.gz BOLGGQFCHPIRGR-QGZVFWFLSA-N 1 0 303.450 2.238 10 0 DEAERO CO[C@@](C)(CO)C[NH2+]Cc1cc(Br)c(C)s1 ZINC000702507804 1086435298 /nfs/dbraw/zinc/43/52/98/1086435298.db2.gz BLAAWIUHKOABDC-LLVKDONJSA-N 1 0 308.241 2.306 10 0 DEAERO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CCC(C)(O)CC1 ZINC000703007844 1086476664 /nfs/dbraw/zinc/47/66/64/1086476664.db2.gz CKEFIRYCIDHDLK-FUJMWEONSA-N 1 0 300.443 2.430 10 0 DEAERO COC1(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CCCC1 ZINC000703396918 1086498414 /nfs/dbraw/zinc/49/84/14/1086498414.db2.gz JVTNDBZZYVPAJE-LBPRGKRZSA-N 1 0 300.399 2.086 10 0 DEAERO C[C@H]1CCN(Cc2ccc(N)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000703910081 1086566535 /nfs/dbraw/zinc/56/65/35/1086566535.db2.gz BUSYKQSNAJYXNW-HNNXBMFYSA-N 1 0 311.433 2.155 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000704639829 1086586211 /nfs/dbraw/zinc/58/62/11/1086586211.db2.gz XNOIVYKFSXMDAV-WWMKKXEUSA-N 1 0 314.838 2.371 10 0 DEAERO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1cccc(S(N)(=O)=O)c1 ZINC000704789093 1086590694 /nfs/dbraw/zinc/59/06/94/1086590694.db2.gz BEEBLIGRXJMZLW-NWDGAFQWSA-N 1 0 314.476 2.128 10 0 DEAERO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000704791795 1086591356 /nfs/dbraw/zinc/59/13/56/1086591356.db2.gz XKKAFJCEDDZVOE-VXGBXAGGSA-N 1 0 314.476 2.128 10 0 DEAERO C[C@H]([NH2+]CC[C@H]1CCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000704791794 1086591384 /nfs/dbraw/zinc/59/13/84/1086591384.db2.gz XKKAFJCEDDZVOE-RYUDHWBXSA-N 1 0 314.476 2.128 10 0 DEAERO CC1(O)CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000705524260 1086618389 /nfs/dbraw/zinc/61/83/89/1086618389.db2.gz LBSVQNQHNKRMDV-JLAWEPINSA-N 1 0 318.461 2.171 10 0 DEAERO CN(C)[C@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccco1 ZINC000710853374 1086689536 /nfs/dbraw/zinc/68/95/36/1086689536.db2.gz UFXAZABQRBNWKC-CQSZACIVSA-N 1 0 323.437 2.339 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000710906658 1086690185 /nfs/dbraw/zinc/69/01/85/1086690185.db2.gz PQRJQHOGMKGKIB-CHWSQXEVSA-N 1 0 314.426 2.127 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000710990539 1086692299 /nfs/dbraw/zinc/69/22/99/1086692299.db2.gz UFKDTDANTGKFSX-GFCCVEGCSA-N 1 0 316.442 2.421 10 0 DEAERO C[C@@H](CC[S@](C)=O)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711390931 1087081764 /nfs/dbraw/zinc/08/17/64/1087081764.db2.gz LPIJNDAEAYTDGG-AZZPWZESSA-N 1 0 318.483 2.036 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H](CO)C2)C1 ZINC000711439926 1087106133 /nfs/dbraw/zinc/10/61/33/1087106133.db2.gz JXDQBQYFRGHLAH-TUVASFSCSA-N 1 0 312.454 2.430 10 0 DEAERO CCC[C@@](C)(O)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711492049 1087140142 /nfs/dbraw/zinc/14/01/42/1087140142.db2.gz RBXFKEBJHLACLH-DVOMOZLQSA-N 1 0 300.443 2.430 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)sc1Cl ZINC000711622329 1087176795 /nfs/dbraw/zinc/17/67/95/1087176795.db2.gz JANKZIWKBKQUSZ-CABZTGNLSA-N 1 0 320.867 2.273 10 0 DEAERO Cc1nc(C[NH2+]CCCC(=O)N(C)C)sc1Br ZINC000719254657 1088914185 /nfs/dbraw/zinc/91/41/85/1088914185.db2.gz WQFSYJIYRRTWSU-UHFFFAOYSA-N 1 0 320.256 2.172 10 0 DEAERO C[C@H]1[C@@H](NC(=O)c2ccsc2Br)CC[N@@H+]1C ZINC000719399079 1089085065 /nfs/dbraw/zinc/08/50/65/1089085065.db2.gz YXJBYFNBIUOVFU-CBAPKCEASA-N 1 0 303.225 2.333 10 0 DEAERO CO[C@@]1(CO)CCC[N@H+](C[C@H](C)COCc2ccccc2)C1 ZINC000719494627 1089276450 /nfs/dbraw/zinc/27/64/50/1089276450.db2.gz CFGBRVVNDNWLOW-WMZOPIPTSA-N 1 0 307.434 2.313 10 0 DEAERO CCCn1c(S[C@@H](C)[C@H]([NH3+])c2ccc(C)cc2)n[nH]c1=O ZINC000081879294 192333520 /nfs/dbraw/zinc/33/35/20/192333520.db2.gz JUCXNQMUEPGMJM-AAEUAGOBSA-N 1 0 306.435 2.470 10 0 DEAERO CCn1c(=O)[nH]nc1S[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH2+]C ZINC000081879719 192334130 /nfs/dbraw/zinc/33/41/30/192334130.db2.gz OGHJRMVOZXZBQX-SDDRHHMPSA-N 1 0 312.483 2.486 10 0 DEAERO CCn1c(S[C@H]2CCCc3ccccc3[C@@H]2[NH3+])n[nH]c1=O ZINC000081879764 192334133 /nfs/dbraw/zinc/33/41/33/192334133.db2.gz QVPPTPNNJSTUMN-STQMWFEESA-N 1 0 304.419 2.088 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000081920243 192338746 /nfs/dbraw/zinc/33/87/46/192338746.db2.gz USNOKJSILKTHLW-KGLIPLIRSA-N 1 0 317.838 2.271 10 0 DEAERO COc1cccc([C@@H]([NH3+])CS(=O)(=O)Cc2ccccc2)c1 ZINC000081923788 192340234 /nfs/dbraw/zinc/34/02/34/192340234.db2.gz WKPZMPSPLQHULA-INIZCTEOSA-N 1 0 305.399 2.310 10 0 DEAERO NC(=[NH2+])c1ccc(S(=O)(=O)CCOC2CCCCC2)cc1 ZINC000163294540 197622051 /nfs/dbraw/zinc/62/20/51/197622051.db2.gz AHXXFKMAZUALOZ-UHFFFAOYSA-N 1 0 310.419 2.094 10 0 DEAERO C[C@H](O)CC(C)(C)c1c(Br)cnn1CC[NH+](C)C ZINC000163352474 197625439 /nfs/dbraw/zinc/62/54/39/197625439.db2.gz HZEOPDUGHGNISZ-JTQLQIEISA-N 1 0 318.259 2.256 10 0 DEAERO CCOC(=O)CC[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000612438414 361827291 /nfs/dbraw/zinc/82/72/91/361827291.db2.gz WPECGSBQXBKFJN-INIZCTEOSA-N 1 0 324.465 2.300 10 0 DEAERO CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1S(=O)(=O)CCOC ZINC000081944074 192343883 /nfs/dbraw/zinc/34/38/83/192343883.db2.gz SBBSRDIVTLGXEX-RDBSUJKOSA-N 1 0 305.484 2.241 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)CCOC)c1ccc(CC(C)C)cc1 ZINC000081943418 192344541 /nfs/dbraw/zinc/34/45/41/192344541.db2.gz RXZUYERVIYMXMQ-MRXNPFEDSA-N 1 0 313.463 2.207 10 0 DEAERO CCC[C@@H](C(=O)Nc1nc(CC)c(C(=O)OC)s1)[NH+](C)C ZINC000164745780 197662705 /nfs/dbraw/zinc/66/27/05/197662705.db2.gz XEXUNDSGWSNYKS-JTQLQIEISA-N 1 0 313.423 2.161 10 0 DEAERO CCC[C@H](CC[NH3+])CCC(=O)N(CCOC)[C@H](C)COC ZINC000079240844 185162255 /nfs/dbraw/zinc/16/22/55/185162255.db2.gz MDIWBWGYFZMQPO-CABCVRRESA-N 1 0 302.459 2.042 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1nccn1C(F)F ZINC000079253361 185162551 /nfs/dbraw/zinc/16/25/51/185162551.db2.gz IEIGEIBPLUXLFS-LLVKDONJSA-N 1 0 317.384 2.150 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000079358402 185166905 /nfs/dbraw/zinc/16/69/05/185166905.db2.gz HZKPHKJNZPUTQC-OAHLLOKOSA-N 1 0 304.500 2.462 10 0 DEAERO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000152890805 282157332 /nfs/dbraw/zinc/15/73/32/282157332.db2.gz KFZQTVLAUZKGRD-QGZVFWFLSA-N 1 0 320.364 2.128 10 0 DEAERO C[C@@H]([NH3+])C[C@H](C)S(=O)(=O)c1ccc(Br)cc1 ZINC000082798466 185205007 /nfs/dbraw/zinc/20/50/07/185205007.db2.gz NZKJXFQPSVVKOQ-BDAKNGLRSA-N 1 0 306.225 2.349 10 0 DEAERO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCOc2ccccc2)cnn1C ZINC000328625055 231256005 /nfs/dbraw/zinc/25/60/05/231256005.db2.gz KJBBGLUIHZSXGF-DLBZAZTESA-N 1 0 301.390 2.227 10 0 DEAERO C[C@H](CCCO)[NH2+][C@@H](CN)c1cc(Br)cs1 ZINC000087359040 185222751 /nfs/dbraw/zinc/22/27/51/185222751.db2.gz DEIVRAXOCALZIV-SCZZXKLOSA-N 1 0 307.257 2.261 10 0 DEAERO CCCc1nnsc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000087455906 185225593 /nfs/dbraw/zinc/22/55/93/185225593.db2.gz FZJAXMLHDBGCBN-UHFFFAOYSA-N 1 0 302.403 2.389 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)Nc1cc(Br)ccc1OC ZINC000087533256 185228133 /nfs/dbraw/zinc/22/81/33/185228133.db2.gz LITJPMZCQGOOEZ-QMMMGPOBSA-N 1 0 301.184 2.381 10 0 DEAERO CC[NH2+][C@@H]1CCN(Cc2sccc2Br)C1=O ZINC000087575883 185228830 /nfs/dbraw/zinc/22/88/30/185228830.db2.gz NFSMFDKZRWXPDC-SECBINFHSA-N 1 0 303.225 2.221 10 0 DEAERO CCOC(=O)COC[C@@H]([NH3+])c1sccc1Br ZINC000087630827 185229562 /nfs/dbraw/zinc/22/95/62/185229562.db2.gz VFOJLZUMYHALFG-MRVPVSSYSA-N 1 0 308.197 2.090 10 0 DEAERO [NH3+]CCc1ccc(Cl)cc1Sc1n[nH]c(=O)n1C1CC1 ZINC000165503659 197676951 /nfs/dbraw/zinc/67/69/51/197676951.db2.gz WLHYZUSAHNOGEE-UHFFFAOYSA-N 1 0 310.810 2.212 10 0 DEAERO COc1ccc([C@H]([NH3+])CC(C)(C)C(N)=O)c(Br)c1 ZINC000087722732 185231002 /nfs/dbraw/zinc/23/10/02/185231002.db2.gz NVULINMMXGBMAU-LLVKDONJSA-N 1 0 315.211 2.359 10 0 DEAERO OCC(CO)[NH2+][C@H](c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000087750783 185231467 /nfs/dbraw/zinc/23/14/67/185231467.db2.gz RNPBUJAJWAGTRB-INIZCTEOSA-N 1 0 307.777 2.078 10 0 DEAERO C[C@@H](C[NH3+])C[S@@](=O)Cc1ccc(F)cc1Br ZINC000088089538 185239487 /nfs/dbraw/zinc/23/94/87/185239487.db2.gz QJYNHQKPCHCRSH-PWJLMRLQSA-N 1 0 308.216 2.432 10 0 DEAERO COC[C@@H]([NH3+])C(=O)Nc1cc(Br)ccc1Cl ZINC000088004200 185237854 /nfs/dbraw/zinc/23/78/54/185237854.db2.gz OFYMWIPILMABIP-MRVPVSSYSA-N 1 0 307.575 2.015 10 0 DEAERO C[C@H]([NH3+])CCS(=O)(=O)Cc1cccc(Br)c1 ZINC000088077600 185238978 /nfs/dbraw/zinc/23/89/78/185238978.db2.gz FVYRPOUSRGMLJV-VIFPVBQESA-N 1 0 306.225 2.101 10 0 DEAERO CC[NH2+][C@@H]1CCN(c2ccc(Br)c(F)c2)C1=O ZINC000088084421 185239177 /nfs/dbraw/zinc/23/91/77/185239177.db2.gz QDFQEBHDUVGMHJ-LLVKDONJSA-N 1 0 301.159 2.303 10 0 DEAERO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000087816047 185232476 /nfs/dbraw/zinc/23/24/76/185232476.db2.gz TXTBAHVOFPRVIL-IAQYHMDHSA-N 1 0 304.415 2.322 10 0 DEAERO C[NH2+][C@@H](Cc1cc(F)ccc1Br)[C@@H]1COCCO1 ZINC000087857826 185233895 /nfs/dbraw/zinc/23/38/95/185233895.db2.gz LYACJXPPDOIBPQ-STQMWFEESA-N 1 0 318.186 2.134 10 0 DEAERO NNc1nc(NC[C@H]2C[C@H]3CC[C@@H]2C3)c(Br)c[nH+]1 ZINC000087877541 185234189 /nfs/dbraw/zinc/23/41/89/185234189.db2.gz GZZBQKMCGCWGFS-DJLDLDEBSA-N 1 0 312.215 2.373 10 0 DEAERO COc1ccc(Nc2nc(NN)[nH+]cc2Br)cc1 ZINC000087885542 185234264 /nfs/dbraw/zinc/23/42/64/185234264.db2.gz BEYKICFUAQGWON-UHFFFAOYSA-N 1 0 310.155 2.277 10 0 DEAERO [NH3+][C@H]1CCCc2c(OCC(=O)NCC(F)(F)F)cccc21 ZINC000088150808 185240579 /nfs/dbraw/zinc/24/05/79/185240579.db2.gz HHBAUXDCBFXAKH-NSHDSACASA-N 1 0 302.296 2.080 10 0 DEAERO Cc1cnn(CC[NH+]2CCC(c3noc(C4CC4)n3)CC2)c1 ZINC000328912465 231384468 /nfs/dbraw/zinc/38/44/68/231384468.db2.gz OZDLOTQQLRRVHF-UHFFFAOYSA-N 1 0 301.394 2.332 10 0 DEAERO COC[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1Br ZINC000088122695 185239975 /nfs/dbraw/zinc/23/99/75/185239975.db2.gz DLQVDVOQPOVNFI-QMMMGPOBSA-N 1 0 307.575 2.015 10 0 DEAERO COc1ccc(Br)c(-n2nnc([C@H](C)[NH3+])c2C)c1 ZINC000088321096 185245588 /nfs/dbraw/zinc/24/55/88/185245588.db2.gz FVDYSJYVZLWALD-ZETCQYMHSA-N 1 0 311.183 2.367 10 0 DEAERO Nc1cc(F)cc(SC[C@H](O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000088398609 185248356 /nfs/dbraw/zinc/24/83/56/185248356.db2.gz OSEYBQLLJWDTNK-CVEARBPZSA-N 1 0 306.406 2.431 10 0 DEAERO Cc1nc(N)sc1SC[C@@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000088398439 185248545 /nfs/dbraw/zinc/24/85/45/185248545.db2.gz CEWKKGVPWHGUJU-VXGBXAGGSA-N 1 0 309.460 2.057 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1N(C)CCC(F)(F)F)OCCO2 ZINC000088418281 185249318 /nfs/dbraw/zinc/24/93/18/185249318.db2.gz VZEZRTSWOLJCIS-VXGBXAGGSA-N 1 0 310.360 2.144 10 0 DEAERO C[NH2+][C@@](C)(CCCC[NH+]1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000088435636 185250425 /nfs/dbraw/zinc/25/04/25/185250425.db2.gz DVQGXNKLVJDNCH-ZDUSSCGKSA-N 1 0 310.360 2.494 10 0 DEAERO OC[C@@](CN1CCC[C@H](C(F)(F)F)C1)([NH2+]C1CC1)C1CC1 ZINC000088439656 185250824 /nfs/dbraw/zinc/25/08/24/185250824.db2.gz YONHSVAYDVCSNQ-GXTWGEPZSA-N 1 0 306.372 2.154 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C)o1 ZINC000088543989 185256865 /nfs/dbraw/zinc/25/68/65/185256865.db2.gz PSYWCXGTPFTSOK-NEPJUHHUSA-N 1 0 300.424 2.198 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC2C[C@@H](C)C[C@H](C)C2)o1 ZINC000088551435 185257323 /nfs/dbraw/zinc/25/73/23/185257323.db2.gz PFROBEVAPDEWDH-QWRGUYRKSA-N 1 0 300.424 2.102 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2C)o1 ZINC000088551632 185257404 /nfs/dbraw/zinc/25/74/04/185257404.db2.gz SCGABPYOUBBODB-AAEUAGOBSA-N 1 0 300.424 2.246 10 0 DEAERO C[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000088516390 185254690 /nfs/dbraw/zinc/25/46/90/185254690.db2.gz PDIVOCVKXYYPOL-PWSUYJOCSA-N 1 0 302.465 2.454 10 0 DEAERO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1S(=O)(=O)CCCOC ZINC000081985833 192348767 /nfs/dbraw/zinc/34/87/67/192348767.db2.gz DGGVSDUCEWDXIM-ILXRZTDVSA-N 1 0 305.484 2.385 10 0 DEAERO CCn1ncnc1COc1ccc(Br)cc1C[NH3+] ZINC000088585368 185258600 /nfs/dbraw/zinc/25/86/00/185258600.db2.gz SILNPVCTAIPBLA-UHFFFAOYSA-N 1 0 311.183 2.098 10 0 DEAERO Cc1ccc2c(N)c(C(=O)N[C@H]3CCC[N@@H+](C)C3)sc2n1 ZINC000088641142 185260803 /nfs/dbraw/zinc/26/08/03/185260803.db2.gz GUWIWNNVPQPYAX-JTQLQIEISA-N 1 0 304.419 2.011 10 0 DEAERO CCc1ccc([C@@H]([NH2+]C)[C@@H](C)S(=O)(=O)CCCOC)cc1 ZINC000081986312 192349503 /nfs/dbraw/zinc/34/95/03/192349503.db2.gz PFFAJXSVXWGWIW-CJNGLKHVSA-N 1 0 313.463 2.349 10 0 DEAERO C[NH2+][C@H](c1ccccc1)[C@H](C(C)C)S(=O)(=O)CCCOC ZINC000081985734 192349912 /nfs/dbraw/zinc/34/99/12/192349912.db2.gz JPKPHCZEAQIEFK-CVEARBPZSA-N 1 0 313.463 2.423 10 0 DEAERO CCC[C@@H]1CC[C@@H]([NH2+]C)[C@H](S(=O)(=O)C2CCOCC2)C1 ZINC000081990058 192350477 /nfs/dbraw/zinc/35/04/77/192350477.db2.gz DFQHAIBNUQRFNH-BPLDGKMQSA-N 1 0 303.468 2.137 10 0 DEAERO COc1cccc([C@@H]([NH3+])CS(=O)(=O)c2cccc(C)c2)c1 ZINC000081987060 192351189 /nfs/dbraw/zinc/35/11/89/192351189.db2.gz NABWMJBJAFWHHU-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)C(C)(C)C ZINC000091855229 299088436 /nfs/dbraw/zinc/08/84/36/299088436.db2.gz RHZKTHUFIWSLAK-JKSUJKDBSA-N 1 0 324.513 2.233 10 0 DEAERO CCCN(C(=O)c1cc(Br)cn1CC)C1C[NH2+]C1 ZINC000090292834 185289489 /nfs/dbraw/zinc/28/94/89/185289489.db2.gz WBEXUBRDWTVTCY-UHFFFAOYSA-N 1 0 314.227 2.095 10 0 DEAERO CCCN(C(=O)Cc1cccc(Br)c1)C1C[NH2+]C1 ZINC000090292832 185289635 /nfs/dbraw/zinc/28/96/35/185289635.db2.gz GQZYLSJINICXIA-UHFFFAOYSA-N 1 0 311.223 2.202 10 0 DEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1cc(Cl)cc2c1OCOC2 ZINC000090327911 185291271 /nfs/dbraw/zinc/29/12/71/185291271.db2.gz GPELVEHTXNAMJI-YVLXSGLVSA-N 1 0 308.809 2.246 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1Cc1noc(-c2ccsc2)n1 ZINC000090337832 185291828 /nfs/dbraw/zinc/29/18/28/185291828.db2.gz ZIDNUZIFMNRZCS-NWDGAFQWSA-N 1 0 304.419 2.228 10 0 DEAERO CCCSc1nsc(NC(=O)CSC[C@H]([NH3+])CC)n1 ZINC000090356818 185292341 /nfs/dbraw/zinc/29/23/41/185292341.db2.gz SLBASCVNZXNGJG-MRVPVSSYSA-N 1 0 320.509 2.449 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000090378788 185293591 /nfs/dbraw/zinc/29/35/91/185293591.db2.gz NWRLQVUZIALKKI-VXNVDRBHSA-N 1 0 308.687 2.271 10 0 DEAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000090380640 185293629 /nfs/dbraw/zinc/29/36/29/185293629.db2.gz DRWJISGHBCHLDN-ZJUUUORDSA-N 1 0 306.309 2.211 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000090434110 185296093 /nfs/dbraw/zinc/29/60/93/185296093.db2.gz HPAWBYLTZFVHFI-GXFFZTMASA-N 1 0 305.765 2.061 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@H]1COC[C@@H]1[NH2+]C ZINC000090434237 185296125 /nfs/dbraw/zinc/29/61/25/185296125.db2.gz OXBPVDPUTAQCON-AAEUAGOBSA-N 1 0 312.797 2.302 10 0 DEAERO CSc1nc2ccc(NC(=O)[C@]3(C)COC[C@@H]3[NH3+])cc2s1 ZINC000090586066 185305041 /nfs/dbraw/zinc/30/50/41/185305041.db2.gz ADNVPOAWGCJTJV-SMDDNHRTSA-N 1 0 323.443 2.321 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090590616 185305410 /nfs/dbraw/zinc/30/54/10/185305410.db2.gz KLXXUPLFZAKYQO-GWCFXTLKSA-N 1 0 302.827 2.114 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(CC(C)C)CC(F)(F)F ZINC000090542020 185301906 /nfs/dbraw/zinc/30/19/06/185301906.db2.gz GOHXJOGHCGGMFM-VXGBXAGGSA-N 1 0 310.360 2.048 10 0 DEAERO C[C@@H](Oc1ccccc1)C(=O)N1CCCSC[C@H]1C[NH+](C)C ZINC000090699927 185310362 /nfs/dbraw/zinc/31/03/62/185310362.db2.gz LOAKKQBORCVDHK-HUUCEWRRSA-N 1 0 322.474 2.350 10 0 DEAERO CC(C)C[NH2+]C[C@@H]1CCCN1c1ncncc1Br ZINC000090782603 185311803 /nfs/dbraw/zinc/31/18/03/185311803.db2.gz JKKMORAQQFNKSJ-NSHDSACASA-N 1 0 313.243 2.454 10 0 DEAERO O=S(=O)(NCC[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000166809263 197698923 /nfs/dbraw/zinc/69/89/23/197698923.db2.gz KUANBRKSMJMXIV-NSHDSACASA-N 1 0 322.352 2.126 10 0 DEAERO [NH3+]CC1(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CCC1 ZINC000166828135 197699677 /nfs/dbraw/zinc/69/96/77/197699677.db2.gz VEOGJTALDMQMKH-UHFFFAOYSA-N 1 0 303.284 2.090 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)c1ccncc1 ZINC000092363120 185314040 /nfs/dbraw/zinc/31/40/40/185314040.db2.gz SEXFOPYYPKEBJH-GDBMZVCRSA-N 1 0 316.449 2.237 10 0 DEAERO CCCCS(=O)(=O)[C@H]1CCc2ccc(OC)cc2[C@H]1[NH2+]C ZINC000092388685 185315370 /nfs/dbraw/zinc/31/53/70/185315370.db2.gz CBGNLYUKWOVPMR-JKSUJKDBSA-N 1 0 311.447 2.485 10 0 DEAERO C[N@@H+]1CCCC[C@H]1Cn1c(N)nc2cc(Br)cnc21 ZINC000092575658 185326862 /nfs/dbraw/zinc/32/68/62/185326862.db2.gz AXSGPFOWTZVBOJ-JTQLQIEISA-N 1 0 324.226 2.260 10 0 DEAERO C[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1cc(F)c(Cl)cc1F ZINC000167632266 197711601 /nfs/dbraw/zinc/71/16/01/197711601.db2.gz HQGPRYPERKPKBR-UJVNDKKSSA-N 1 0 300.736 2.441 10 0 DEAERO C[NH2+][C@H]1C(=O)Nc2cc(-n3cc(C)cn3)c(Br)cc21 ZINC000092776160 185339672 /nfs/dbraw/zinc/33/96/72/185339672.db2.gz DEPQFJFOJBCGOY-GFCCVEGCSA-N 1 0 321.178 2.156 10 0 DEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(-n3ccnc3)c(Br)cc21 ZINC000092776127 185339870 /nfs/dbraw/zinc/33/98/70/185339870.db2.gz WFTUPSZFKSMDGC-LBPRGKRZSA-N 1 0 321.178 2.238 10 0 DEAERO Cc1oc2ccccc2c1C(=O)NC[C@@H](C)CN1CCOCC1 ZINC000185634810 282264140 /nfs/dbraw/zinc/26/41/40/282264140.db2.gz WZUORRTVEXMSCM-CYBMUJFWSA-N 1 0 316.401 2.439 10 0 DEAERO Cc1cc2c(cc1C)[C@@H](C(=O)N1CC[N@@H+]3CCCC[C@@H]3C1)CO2 ZINC000185408238 282261945 /nfs/dbraw/zinc/26/19/45/282261945.db2.gz NXYJFSAJFUXZGU-WBVHZDCISA-N 1 0 314.429 2.476 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2O)CCCC3)C1 ZINC000185425063 282261971 /nfs/dbraw/zinc/26/19/71/282261971.db2.gz DRYOWQYQMGWDPY-CYBMUJFWSA-N 1 0 302.418 2.343 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1 ZINC000092833222 185345034 /nfs/dbraw/zinc/34/50/34/185345034.db2.gz DCJFLVCPWKGZFI-UHFFFAOYSA-N 1 0 310.463 2.161 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](Sc1nnc(N(C)C)s1)C2 ZINC000092860052 185347006 /nfs/dbraw/zinc/34/70/06/185347006.db2.gz MRWOGIHTEYCPJI-VXGBXAGGSA-N 1 0 322.459 2.330 10 0 DEAERO COC[C@@H](C)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000186229903 282270070 /nfs/dbraw/zinc/27/00/70/282270070.db2.gz KEXHJXKGNORKQV-CYBMUJFWSA-N 1 0 321.421 2.106 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000092955866 185350341 /nfs/dbraw/zinc/35/03/41/185350341.db2.gz MVLKNWLJWXRRIG-ONGXEEELSA-N 1 0 310.419 2.424 10 0 DEAERO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000181494986 199306077 /nfs/dbraw/zinc/30/60/77/199306077.db2.gz PFGULCOGDLCTDE-OLZOCXBDSA-N 1 0 314.385 2.168 10 0 DEAERO CC(C)([NH2+]CCN1C(=O)CCC1=O)c1ccc(F)cc1Cl ZINC000095431979 185363531 /nfs/dbraw/zinc/36/35/31/185363531.db2.gz UMQRCKPRESMGRY-UHFFFAOYSA-N 1 0 312.772 2.453 10 0 DEAERO CO[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[C@H]1C ZINC000187672957 282288230 /nfs/dbraw/zinc/28/82/30/282288230.db2.gz QIZHFELKLMKIKY-LMPOIIKSSA-N 1 0 311.470 2.173 10 0 DEAERO CO[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC[C@H]1C ZINC000187677779 282288723 /nfs/dbraw/zinc/28/87/23/282288723.db2.gz XPIRCFWGWBKALK-OAGGEKHMSA-N 1 0 311.470 2.173 10 0 DEAERO C[C@@H]1CCN(C(=O)NC[C@@H]2CCOc3ccccc32)[C@@H](C[NH3+])C1 ZINC000333575841 282960986 /nfs/dbraw/zinc/96/09/86/282960986.db2.gz MYYKOKXVMZHSNW-QLFBSQMISA-N 1 0 317.433 2.322 10 0 DEAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1coc(Br)c1 ZINC000077721769 539363866 /nfs/dbraw/zinc/36/38/66/539363866.db2.gz ABBCVZSEQDKSHD-GHMZBOCLSA-N 1 0 313.195 2.399 10 0 DEAERO COc1ccc(C[C@H](C)C[N@@H+]2CCCNC(=O)[C@H]2C)cc1F ZINC000189082786 282307390 /nfs/dbraw/zinc/30/73/90/282307390.db2.gz HKRBMZARSZXTMN-QWHCGFSZSA-N 1 0 308.397 2.223 10 0 DEAERO CCCC[C@H](COC)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091343687 282962739 /nfs/dbraw/zinc/96/27/39/282962739.db2.gz HRWHJKIBOYMLDM-TZMCWYRMSA-N 1 0 314.451 2.190 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](O)c1ccccc1 ZINC000106902524 185461551 /nfs/dbraw/zinc/46/15/51/185461551.db2.gz QLHATDOAICQWQB-QZTJIDSGSA-N 1 0 312.413 2.009 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccccc1Br ZINC000089460347 539412231 /nfs/dbraw/zinc/41/22/31/539412231.db2.gz RRMMFBKUOQJGEZ-PWSUYJOCSA-N 1 0 311.223 2.440 10 0 DEAERO c1nc2c(c(NC3CC[NH+]([C@@H]4CCOC4)CC3)n1)CCCCC2 ZINC000089602759 539412332 /nfs/dbraw/zinc/41/23/32/539412332.db2.gz XQCDBZZDJHRUPX-OAHLLOKOSA-N 1 0 316.449 2.411 10 0 DEAERO O[C@H](C[C@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000181726110 199344747 /nfs/dbraw/zinc/34/47/47/199344747.db2.gz LFCOZRBEPKGFKX-MCIONIFRSA-N 1 0 303.324 2.498 10 0 DEAERO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCCC[C@@H]1CC ZINC000245429646 282387222 /nfs/dbraw/zinc/38/72/22/282387222.db2.gz NFHDHKBGPIMNMX-GVDBMIGSSA-N 1 0 307.482 2.336 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)c2ccncc2)C1 ZINC000129164910 539489496 /nfs/dbraw/zinc/48/94/96/539489496.db2.gz RLCPRXNNXQNXEK-OAHLLOKOSA-N 1 0 304.438 2.143 10 0 DEAERO C[C@@H](NC(=O)NCC[NH+](C)C)c1cccc(Br)c1 ZINC000133414936 539506707 /nfs/dbraw/zinc/50/67/07/539506707.db2.gz XBEUGAWZLMSSBE-SNVBAGLBSA-N 1 0 314.227 2.371 10 0 DEAERO CC[NH2+][C@@H](C)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000111714646 185629391 /nfs/dbraw/zinc/62/93/91/185629391.db2.gz DBALBKXZWWOXCT-AWEZNQCLSA-N 1 0 310.463 2.226 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000235373605 201914998 /nfs/dbraw/zinc/91/49/98/201914998.db2.gz VLWIWNAXPPFCQS-MWLCHTKSSA-N 1 0 302.827 2.067 10 0 DEAERO CCOc1cccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)n1 ZINC000615630883 362665495 /nfs/dbraw/zinc/66/54/95/362665495.db2.gz HOKAGIUYGTYMHR-DUVNUKRYSA-N 1 0 304.390 2.254 10 0 DEAERO COc1ccc([C@@H]2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000333814109 282970797 /nfs/dbraw/zinc/97/07/97/282970797.db2.gz JUYIPIBYIPQWCR-HZPDHXFCSA-N 1 0 317.433 2.336 10 0 DEAERO COC[C@@H](C)[NH2+]C[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000119432731 185743865 /nfs/dbraw/zinc/74/38/65/185743865.db2.gz SDZAYELTBTZGHS-KGLIPLIRSA-N 1 0 308.422 2.155 10 0 DEAERO CC[C@H](C)[C@H](C)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248461524 282510683 /nfs/dbraw/zinc/51/06/83/282510683.db2.gz VBVCXEXQOADXDJ-KKUMJFAQSA-N 1 0 313.486 2.155 10 0 DEAERO CCC[NH2+]C[C@H](O)CS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000123662836 185830656 /nfs/dbraw/zinc/83/06/56/185830656.db2.gz IKCHQXTVBPSLFK-AWEZNQCLSA-N 1 0 313.463 2.118 10 0 DEAERO CC(C)(C)[NH2+]C[C@H](O)CS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000123682037 185833236 /nfs/dbraw/zinc/83/32/36/185833236.db2.gz HCSQHSJACYOSPK-VIFPVBQESA-N 1 0 323.817 2.002 10 0 DEAERO C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279751242 215114362 /nfs/dbraw/zinc/11/43/62/215114362.db2.gz QCJNJWDBTZNRAW-OLZOCXBDSA-N 1 0 308.426 2.155 10 0 DEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)c2cccnc2)c1 ZINC000070231311 190874412 /nfs/dbraw/zinc/87/44/12/190874412.db2.gz OWLWGEYXHRATRB-LBPRGKRZSA-N 1 0 305.403 2.187 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1CC[NH3+] ZINC000616669457 362907778 /nfs/dbraw/zinc/90/77/78/362907778.db2.gz IQKDJNLZFFMPCI-AWEZNQCLSA-N 1 0 305.422 2.291 10 0 DEAERO CC(C)(C)OC(=O)NCCN1C[C@@H](CC[NH3+])Nc2ccccc21 ZINC000616693771 362911232 /nfs/dbraw/zinc/91/12/32/362911232.db2.gz YXCSHUYGNXHOGY-CYBMUJFWSA-N 1 0 320.437 2.161 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000176258551 539626285 /nfs/dbraw/zinc/62/62/85/539626285.db2.gz ZJKQNRZPHCNHRM-HOTGVXAUSA-N 1 0 301.434 2.452 10 0 DEAERO CCOc1ccccc1[C@@H](CC)[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000179741334 539642453 /nfs/dbraw/zinc/64/24/53/539642453.db2.gz YFKFOTFXDULKJH-GDBMZVCRSA-N 1 0 320.433 2.109 10 0 DEAERO COCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000070455966 190896468 /nfs/dbraw/zinc/89/64/68/190896468.db2.gz PGRWPLNOGQVKCW-CYBMUJFWSA-N 1 0 318.808 2.481 10 0 DEAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000180509780 539645841 /nfs/dbraw/zinc/64/58/41/539645841.db2.gz DCDKUAMMJPMEHN-WBMJQRKESA-N 1 0 300.406 2.068 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(C)no2)cc1OC ZINC000180832106 539647150 /nfs/dbraw/zinc/64/71/50/539647150.db2.gz UXDDWUAPYZGFON-NSHDSACASA-N 1 0 319.361 2.290 10 0 DEAERO [NH3+][C@@H]1CCCN(c2c(F)cc(F)cc2Br)C1=O ZINC000070495352 190902492 /nfs/dbraw/zinc/90/24/92/190902492.db2.gz ATOIQRXEECMFDX-SECBINFHSA-N 1 0 305.122 2.181 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(F)cc3)C2=O)n(C)n1 ZINC000080526219 192164932 /nfs/dbraw/zinc/16/49/32/192164932.db2.gz IVMCHYQVGMHMIY-OAHLLOKOSA-N 1 0 316.380 2.153 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(C)s3)C2=O)n(C)n1 ZINC000080526683 192165079 /nfs/dbraw/zinc/16/50/79/192165079.db2.gz QCVUGCAKCVUGEI-AWEZNQCLSA-N 1 0 318.446 2.384 10 0 DEAERO CCO[C@@H](C)C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000130043135 185931954 /nfs/dbraw/zinc/93/19/54/185931954.db2.gz DCVWGOOLQOAZGF-GXTWGEPZSA-N 1 0 301.814 2.232 10 0 DEAERO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CC1(CO)CC1 ZINC000186804865 539676998 /nfs/dbraw/zinc/67/69/98/539676998.db2.gz OJYCHQXFUBZWJQ-PGBRGIIUSA-N 1 0 320.477 2.164 10 0 DEAERO CN(C)C(=O)C1CC[NH+](CCN(C)Cc2ccc(F)cc2)CC1 ZINC000185148144 539670307 /nfs/dbraw/zinc/67/03/07/539670307.db2.gz SDFPLZCMDZCTED-UHFFFAOYSA-N 1 0 321.440 2.058 10 0 DEAERO CN1CC[C@@H](Oc2c(Cl)cc(Cl)cc2CC[NH3+])C1=O ZINC000071184718 190937866 /nfs/dbraw/zinc/93/78/66/190937866.db2.gz RPXJSHUZUOYDCL-LLVKDONJSA-N 1 0 303.189 2.104 10 0 DEAERO CCN(CC(=O)N1CCC[C@H]1c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000071313163 190956512 /nfs/dbraw/zinc/95/65/12/190956512.db2.gz QIHDBVWZKCACBE-KGLIPLIRSA-N 1 0 307.463 2.095 10 0 DEAERO Cc1csc2c1ncnc2NC[C@H](C)C[NH+]1CCOCC1 ZINC000192613505 539708667 /nfs/dbraw/zinc/70/86/67/539708667.db2.gz XQJCSBZMMKIOIA-NSHDSACASA-N 1 0 306.435 2.380 10 0 DEAERO CC[C@@H]1CN(c2ccccc2)CCN1C(=O)CCc1c[nH]cn1 ZINC000193821675 539715274 /nfs/dbraw/zinc/71/52/74/539715274.db2.gz CTJLNJPVISYDGA-MRXNPFEDSA-N 1 0 312.417 2.470 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CSCc2c(C)noc2C)C1 ZINC000194625014 539718808 /nfs/dbraw/zinc/71/88/08/539718808.db2.gz VGGJNVXSGVSNBE-CYBMUJFWSA-N 1 0 311.451 2.125 10 0 DEAERO C[C@@]1(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000133329970 185974630 /nfs/dbraw/zinc/97/46/30/185974630.db2.gz HTKTWJGQVHBHDK-RDJZCZTQSA-N 1 0 309.454 2.215 10 0 DEAERO CCn1ncc(Br)c1[C@@](C)(O)C[C@H]1CCCC[NH2+]1 ZINC000133368183 185978257 /nfs/dbraw/zinc/97/82/57/185978257.db2.gz MPKQYWNVKIZBBE-MFKMUULPSA-N 1 0 316.243 2.405 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)CCS(=O)(=O)c2cccs2)cc1 ZINC000084269116 192418589 /nfs/dbraw/zinc/41/85/89/192418589.db2.gz WUPBGMIPSHRXGP-UHFFFAOYSA-N 1 0 324.427 2.009 10 0 DEAERO CCCN(CC)c1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000170863784 197840306 /nfs/dbraw/zinc/84/03/06/197840306.db2.gz IBROBLFHLVWXBY-HNNXBMFYSA-N 1 0 304.438 2.094 10 0 DEAERO CC(=O)N1C[C@@H](C(C)C)Oc2ccc(C(=O)[C@@H]3CCC[NH2+]3)cc21 ZINC000071664384 191000806 /nfs/dbraw/zinc/00/08/06/191000806.db2.gz DYCUWUCVWCNVPL-YOEHRIQHSA-N 1 0 316.401 2.391 10 0 DEAERO CC[NH+](CC)CCN(C[C@@H](C)C(=O)OC)C(=O)CC(C)C ZINC000071604999 190991632 /nfs/dbraw/zinc/99/16/32/190991632.db2.gz QGIJLGYKFHVUQQ-CQSZACIVSA-N 1 0 300.443 2.012 10 0 DEAERO C[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2cccc(Br)c2)C1 ZINC000084433856 192430731 /nfs/dbraw/zinc/43/07/31/192430731.db2.gz BMRHSVGRHJYXJR-ZYHUDNBSSA-N 1 0 318.236 2.363 10 0 DEAERO COc1cc2c(c(F)c1)CN(Cc1c(C)nn(C)c1C)[C@@H]2C[NH3+] ZINC000071683470 191006757 /nfs/dbraw/zinc/00/67/57/191006757.db2.gz ULUSOWMFOXZQGP-QGZVFWFLSA-N 1 0 318.396 2.200 10 0 DEAERO COc1cccc(NC(=O)Cc2csc(CCC[NH3+])n2)c1 ZINC000071694736 191008609 /nfs/dbraw/zinc/00/86/09/191008609.db2.gz ZUVBDIZFNGVYHA-UHFFFAOYSA-N 1 0 305.403 2.224 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1sccc1C)N1CCC(NC(C)=O)CC1 ZINC000133698273 186008350 /nfs/dbraw/zinc/00/83/50/186008350.db2.gz ODPBNGRACSQRIF-GJZGRUSLSA-N 1 0 309.479 2.435 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1Cc2ccccc21 ZINC000245482530 539756301 /nfs/dbraw/zinc/75/63/01/539756301.db2.gz ZJKQNRZPHCNHRM-HZPDHXFCSA-N 1 0 301.434 2.452 10 0 DEAERO C[C@@](C[NH3+])(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C1CC1 ZINC000133719642 186009382 /nfs/dbraw/zinc/00/93/82/186009382.db2.gz PGFVTTWIZFKENU-ZDUSSCGKSA-N 1 0 308.250 2.239 10 0 DEAERO CCN(CC(C)C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138461674 186017319 /nfs/dbraw/zinc/01/73/19/186017319.db2.gz BSCKDFHADUXJPV-UHFFFAOYSA-N 1 0 306.378 2.090 10 0 DEAERO CC[C@H](C)N(CC)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138463961 186017327 /nfs/dbraw/zinc/01/73/27/186017327.db2.gz PPBUCCGLKZVRTL-VIFPVBQESA-N 1 0 306.378 2.233 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N[C@H](C)CC)c1 ZINC000138610126 186017542 /nfs/dbraw/zinc/01/75/42/186017542.db2.gz DYGNFBWMUKHVRS-SECBINFHSA-N 1 0 306.378 2.151 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)CCC(C)C)c1 ZINC000138705624 186018392 /nfs/dbraw/zinc/01/83/92/186018392.db2.gz FRSCTPHPUYKULL-UHFFFAOYSA-N 1 0 320.405 2.351 10 0 DEAERO CC[C@H]1CN(c2ncnc3c(C)cccc32)CC[N@@H+]1C[C@H](C)O ZINC000246446131 539764367 /nfs/dbraw/zinc/76/43/67/539764367.db2.gz BPRIPESMJMOFLS-GJZGRUSLSA-N 1 0 314.433 2.220 10 0 DEAERO C[NH+](C)CCCN1C(=O)C2(CCCC2)N[C@H]1c1ccsc1 ZINC000140457582 186026927 /nfs/dbraw/zinc/02/69/27/186026927.db2.gz VQWBIXHJVPYUCL-CQSZACIVSA-N 1 0 307.463 2.443 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N[C@@H]2CC[C@H](C)C2)c1 ZINC000139359253 186021393 /nfs/dbraw/zinc/02/13/93/186021393.db2.gz GDPVAFVAMWGQCG-GXSJLCMTSA-N 1 0 318.389 2.151 10 0 DEAERO CC1(C)CC[C@H](NS(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1 ZINC000139362909 186021943 /nfs/dbraw/zinc/02/19/43/186021943.db2.gz KYODNNPGFFIXMW-JTQLQIEISA-N 1 0 318.389 2.281 10 0 DEAERO C[C@]1(c2nc(-c3ccc(Br)cn3)no2)CCC[NH2+]1 ZINC000139790704 186024099 /nfs/dbraw/zinc/02/40/99/186024099.db2.gz LTDQYNQBQGNSQR-GFCCVEGCSA-N 1 0 309.167 2.493 10 0 DEAERO C[C@]([NH3+])(c1nc(-c2ncccc2Br)no1)C1CC1 ZINC000139852892 186024391 /nfs/dbraw/zinc/02/43/91/186024391.db2.gz XIGKKJINVGLQFH-GFCCVEGCSA-N 1 0 309.167 2.478 10 0 DEAERO C[NH2+][C@H](Cc1ccnc(N)c1)c1ncccc1Br ZINC000140386653 186026612 /nfs/dbraw/zinc/02/66/12/186026612.db2.gz RGZQKRYYKZNAIN-LLVKDONJSA-N 1 0 307.195 2.325 10 0 DEAERO CC(C)CCCCNS(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000147560294 186040782 /nfs/dbraw/zinc/04/07/82/186040782.db2.gz WCYABBKKZXYPRQ-UHFFFAOYSA-N 1 0 310.463 2.437 10 0 DEAERO CC(C)[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1nc(C2CC2)no1 ZINC000262319017 282674146 /nfs/dbraw/zinc/67/41/46/282674146.db2.gz VFFGGWBCZLDUBV-AVGNSLFASA-N 1 0 306.410 2.278 10 0 DEAERO O=C(NCc1sccc1Br)[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000148226434 186043768 /nfs/dbraw/zinc/04/37/68/186043768.db2.gz KWVXKGCPPPSOAQ-MRTMQBJTSA-N 1 0 315.236 2.267 10 0 DEAERO C[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@]1(C)CCCCO1 ZINC000148234451 186043821 /nfs/dbraw/zinc/04/38/21/186043821.db2.gz ITBSGQAZJXDZRM-LXTVHRRPSA-N 1 0 303.468 2.137 10 0 DEAERO CC[C@@H]1N[C@H](c2ccsc2)N(C[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000144372707 186035166 /nfs/dbraw/zinc/03/51/66/186035166.db2.gz GOKRGXJHTJEIBD-KKUMJFAQSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@@H](CN1C(=O)C2(CCCC2)N[C@@H]1c1cccs1)[NH+](C)C ZINC000144942201 186035686 /nfs/dbraw/zinc/03/56/86/186035686.db2.gz NFQQEWGKFRKAOH-JSGCOSHPSA-N 1 0 307.463 2.441 10 0 DEAERO CC[NH+](CC)C[C@@H](C)N1C(=O)C2(CC2)N[C@@H]1c1cccs1 ZINC000145145101 186036477 /nfs/dbraw/zinc/03/64/77/186036477.db2.gz OYYACAUCUCVFNP-OCCSQVGLSA-N 1 0 307.463 2.441 10 0 DEAERO C[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)CCc1ccccc1 ZINC000149259961 186048439 /nfs/dbraw/zinc/04/84/39/186048439.db2.gz HZGQQQBWAMHZCX-ZBFHGGJFSA-N 1 0 310.463 2.021 10 0 DEAERO CCNc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)nc(SC)n1 ZINC000149941975 186053634 /nfs/dbraw/zinc/05/36/34/186053634.db2.gz XAWNYBOULQXVTK-GFCCVEGCSA-N 1 0 307.467 2.305 10 0 DEAERO CCC[NH2+][C@@H]1CCCc2sc([C@@H]3CCS(=O)(=O)C3)nc21 ZINC000150265248 186056082 /nfs/dbraw/zinc/05/60/82/186056082.db2.gz XHTCTECJDOLXBK-GHMZBOCLSA-N 1 0 314.476 2.422 10 0 DEAERO COC[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000152396987 186068467 /nfs/dbraw/zinc/06/84/67/186068467.db2.gz WDARTBNFNVHFLT-JKSUJKDBSA-N 1 0 311.470 2.175 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000152665274 186095742 /nfs/dbraw/zinc/09/57/42/186095742.db2.gz SVVLOBNWBDNFLH-MSOLQXFVSA-N 1 0 315.461 2.238 10 0 DEAERO COc1ccc(CCC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1OC ZINC000155688775 186102934 /nfs/dbraw/zinc/10/29/34/186102934.db2.gz TYLPPMGMLCGXDL-OKILXGFUSA-N 1 0 320.433 2.187 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)c(OCC[NH+](C)C)c1 ZINC000155825984 186115734 /nfs/dbraw/zinc/11/57/34/186115734.db2.gz ZVKJEYNVKNBILQ-UKRRQHHQSA-N 1 0 306.406 2.441 10 0 DEAERO [NH3+]C[C@@H](Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000163983518 186144564 /nfs/dbraw/zinc/14/45/64/186144564.db2.gz ODIJJSSYLVUDNR-GHMZBOCLSA-N 1 0 305.802 2.031 10 0 DEAERO COc1ccc(OC(F)F)c(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000164003501 186145541 /nfs/dbraw/zinc/14/55/41/186145541.db2.gz NLEKBEPEESNMPC-MRVPVSSYSA-N 1 0 300.305 2.091 10 0 DEAERO COc1ccccc1[S@](=O)CCOc1ccc(C[NH3+])cc1 ZINC000155895172 186121465 /nfs/dbraw/zinc/12/14/65/186121465.db2.gz LKLBBPJMIDHMLY-NRFANRHFSA-N 1 0 305.399 2.341 10 0 DEAERO [NH3+]Cc1ccccc1NC(=O)C[S@@](=O)c1ccccc1F ZINC000155940788 186124066 /nfs/dbraw/zinc/12/40/66/186124066.db2.gz RDKOVQQMJSXFHQ-NRFANRHFSA-N 1 0 306.362 2.031 10 0 DEAERO COc1cc(C[NH2+]C[C@H](C)[S@@](C)=O)c(SC)cc1OC ZINC000159610171 186130627 /nfs/dbraw/zinc/13/06/27/186130627.db2.gz HTLVTRIQQCIWKB-FVINQWEUSA-N 1 0 317.476 2.282 10 0 DEAERO COc1cc(C[NH2+]C[C@H](C)[S@](C)=O)c(SC)cc1OC ZINC000159609927 186130713 /nfs/dbraw/zinc/13/07/13/186130713.db2.gz HTLVTRIQQCIWKB-WVDJIFEKSA-N 1 0 317.476 2.282 10 0 DEAERO COc1ccc(C[NH2+]C[C@H](C)[S@@](C)=O)c(Cl)c1OC ZINC000159619729 186131452 /nfs/dbraw/zinc/13/14/52/186131452.db2.gz NHMVXRLQTWPWKZ-UGZDLDLSSA-N 1 0 305.827 2.214 10 0 DEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1nnc(Cl)s1 ZINC000159734060 186138060 /nfs/dbraw/zinc/13/80/60/186138060.db2.gz UAJCQMNTVGDHFL-SECBINFHSA-N 1 0 304.847 2.432 10 0 DEAERO C[C@H](C(=O)Nc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000163884185 186141266 /nfs/dbraw/zinc/14/12/66/186141266.db2.gz JIRRECRQQBVLIQ-ZETCQYMHSA-N 1 0 301.159 2.382 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@](C)([NH3+])C1CC1 ZINC000164149624 186150628 /nfs/dbraw/zinc/15/06/28/186150628.db2.gz KNCJPCYGMONDAA-GFCCVEGCSA-N 1 0 300.200 2.366 10 0 DEAERO CC[NH2+]Cc1ccc(-n2ccc(C(=O)N(C)C)n2)c(Cl)c1 ZINC000164213169 186151960 /nfs/dbraw/zinc/15/19/60/186151960.db2.gz CZMOJQFRMOSLBW-UHFFFAOYSA-N 1 0 306.797 2.337 10 0 DEAERO CCOC(=O)[C@H](C(=O)NCCC[NH+](CC)CC)C(C)(C)C ZINC000164219827 186152834 /nfs/dbraw/zinc/15/28/34/186152834.db2.gz LEAIJJGJWVFATD-ZDUSSCGKSA-N 1 0 300.443 2.060 10 0 DEAERO COCCn1ncc(Cl)c1C(=O)C[C@H](C[NH3+])CC(C)C ZINC000164327146 186156129 /nfs/dbraw/zinc/15/61/29/186156129.db2.gz ITDCVLPHOCJOET-LLVKDONJSA-N 1 0 301.818 2.377 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OC)c1 ZINC000173330375 186176981 /nfs/dbraw/zinc/17/69/81/186176981.db2.gz IVQDRGLEQBABGU-HZPDHXFCSA-N 1 0 317.433 2.463 10 0 DEAERO COc1ccc(F)cc1NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262880452 186318138 /nfs/dbraw/zinc/31/81/38/186318138.db2.gz YVUCHBUYWSKJPV-GFCCVEGCSA-N 1 0 318.352 2.208 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)C[C@@H]1OC ZINC000333844706 282981771 /nfs/dbraw/zinc/98/17/71/282981771.db2.gz OYAMBEYMGAFLCR-KGLIPLIRSA-N 1 0 309.454 2.118 10 0 DEAERO CC(=O)c1ccc(CC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000617017664 363000876 /nfs/dbraw/zinc/00/08/76/363000876.db2.gz ZVIYBLYTBSMRBW-MRXNPFEDSA-N 1 0 302.418 2.421 10 0 DEAERO C[C@@H](CCc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897276 198004393 /nfs/dbraw/zinc/00/43/93/198004393.db2.gz QKCIZOKMARHXRS-DOTOQJQBSA-N 1 0 301.434 2.497 10 0 DEAERO O=C(NCCc1ccccc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171905014 198004634 /nfs/dbraw/zinc/00/46/34/198004634.db2.gz AYMNJVFHTFBESL-AWEZNQCLSA-N 1 0 307.825 2.372 10 0 DEAERO COC(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000171971460 198017613 /nfs/dbraw/zinc/01/76/13/198017613.db2.gz FNAFKDAECGTXOP-UHFFFAOYSA-N 1 0 317.389 2.175 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](Cc3cc(F)cc4c3OCOC4)C2)cn1 ZINC000172054627 198031952 /nfs/dbraw/zinc/03/19/52/198031952.db2.gz OJBQWCZMNJALTN-GFCCVEGCSA-N 1 0 317.364 2.415 10 0 DEAERO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1nncs1 ZINC000172195722 198056608 /nfs/dbraw/zinc/05/66/08/198056608.db2.gz SSSHJCDNFAUZPV-ZDUSSCGKSA-N 1 0 317.418 2.324 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc3cc(F)ccc3s2)CCO1 ZINC000172306472 198076077 /nfs/dbraw/zinc/07/60/77/198076077.db2.gz YYTLNIXPHJEBLI-ZDUSSCGKSA-N 1 0 322.405 2.443 10 0 DEAERO O=C(Nc1cnn(-c2ccccc2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172641782 198130613 /nfs/dbraw/zinc/13/06/13/198130613.db2.gz CBLZJFWTFKPUON-INIZCTEOSA-N 1 0 311.389 2.184 10 0 DEAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C(=O)N1CCNC1=O ZINC000072789112 191228358 /nfs/dbraw/zinc/22/83/58/191228358.db2.gz KYHJSGQDUVBPQR-STQMWFEESA-N 1 0 315.417 2.156 10 0 DEAERO Cc1oc2nc(C[N@@H+](CCO)[C@@H]3CC[C@H](C)C3)nc(N)c2c1C ZINC000329851435 539931116 /nfs/dbraw/zinc/93/11/16/539931116.db2.gz QTRLMEXKNNPIFI-GXFFZTMASA-N 1 0 318.421 2.405 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)c1ncc(C)o1 ZINC000332833432 539941627 /nfs/dbraw/zinc/94/16/27/539941627.db2.gz GOWRZUBKAZHIKO-MCIONIFRSA-N 1 0 306.410 2.312 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000173270852 198204744 /nfs/dbraw/zinc/20/47/44/198204744.db2.gz VZKZPPKNXXRKQQ-YPMHNXCESA-N 1 0 316.854 2.443 10 0 DEAERO O=C(Nc1ncc(C(F)(F)F)s1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333301912 539955193 /nfs/dbraw/zinc/95/51/93/539955193.db2.gz KKJGVLLRLNBIBC-HTQZYQBOSA-N 1 0 320.340 2.235 10 0 DEAERO C[C@@H]1CN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCS1 ZINC000333616009 539965399 /nfs/dbraw/zinc/96/53/99/539965399.db2.gz YTESYQOXKMUEFA-VQGSXZNQSA-N 1 0 323.506 2.287 10 0 DEAERO Cc1cccc([C@H](C)[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000173673545 198239087 /nfs/dbraw/zinc/23/90/87/198239087.db2.gz NMZZDDGSQCLUQP-HNNXBMFYSA-N 1 0 322.416 2.316 10 0 DEAERO C[C@]1(CNC(=O)N[C@@H]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000333746329 539970872 /nfs/dbraw/zinc/97/08/72/539970872.db2.gz JLSKAMPZJAEQSQ-AEFFLSMTSA-N 1 0 301.434 2.233 10 0 DEAERO Cc1csc([C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C2CC2)n1 ZINC000173914422 198268703 /nfs/dbraw/zinc/26/87/03/198268703.db2.gz IOOWLHVFDRZKBR-STQMWFEESA-N 1 0 308.451 2.248 10 0 DEAERO Cc1cccc(O[C@H](C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000173915631 198268847 /nfs/dbraw/zinc/26/88/47/198268847.db2.gz QOYWOEYJRQWUBV-CABCVRRESA-N 1 0 305.422 2.108 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(CCCc2cccc(OC)c2)CC1 ZINC000174132318 198295493 /nfs/dbraw/zinc/29/54/93/198295493.db2.gz OXFKBOOKXRQHIU-QGZVFWFLSA-N 1 0 306.450 2.016 10 0 DEAERO C[N@H+](CCc1cccs1)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000174159005 198299893 /nfs/dbraw/zinc/29/98/93/198299893.db2.gz SZPGDIAGQYIDEH-JKSUJKDBSA-N 1 0 322.474 2.392 10 0 DEAERO O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174403083 198330892 /nfs/dbraw/zinc/33/08/92/198330892.db2.gz HIDIXRCPBFNVPN-GVDBMIGSSA-N 1 0 315.392 2.337 10 0 DEAERO CC[C@@H]1CN(C(=O)c2ccc(C)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174626839 198361685 /nfs/dbraw/zinc/36/16/85/198361685.db2.gz PKLGTZFJLJICGW-HZPDHXFCSA-N 1 0 304.434 2.221 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)Nc2cnn(CC(F)F)c2)CC[N@@H+]1C ZINC000174852977 198393093 /nfs/dbraw/zinc/39/30/93/198393093.db2.gz PRPYEKHBUHNYQT-CMPLNLGQSA-N 1 0 315.368 2.095 10 0 DEAERO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1nc2ccccc2nc1C ZINC000344358693 540010378 /nfs/dbraw/zinc/01/03/78/540010378.db2.gz FISSUUIQTMTGBW-UONOGXRCSA-N 1 0 301.390 2.174 10 0 DEAERO CCC[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000236791161 202009939 /nfs/dbraw/zinc/00/99/39/202009939.db2.gz SURFCQUGNYMIQS-ZWKOTPCHSA-N 1 0 315.461 2.252 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)NCC[N@H+]2CCCC[C@H]2C)c1C ZINC000047143643 354307078 /nfs/dbraw/zinc/30/70/78/354307078.db2.gz VKAQKMIZTUDXNI-LLVKDONJSA-N 1 0 305.422 2.438 10 0 DEAERO Cc1n(C)c(=O)c2ccccc2[n+]1CC(=O)c1ccc(F)cc1 ZINC000048554861 354354149 /nfs/dbraw/zinc/35/41/49/354354149.db2.gz IVVLXWJFHRXLRO-UHFFFAOYSA-N 1 0 311.336 2.156 10 0 DEAERO CCCNC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000052685451 354410928 /nfs/dbraw/zinc/41/09/28/354410928.db2.gz NDUMHLZDRSIYQN-HNNXBMFYSA-N 1 0 323.481 2.016 10 0 DEAERO CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000055006292 354479988 /nfs/dbraw/zinc/47/99/88/354479988.db2.gz FQGMOFZBJKZPSF-MRXNPFEDSA-N 1 0 323.481 2.016 10 0 DEAERO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3C[C@@H]3C)CC2)c1 ZINC000073327897 191304661 /nfs/dbraw/zinc/30/46/61/191304661.db2.gz OEDREVSACVVDQN-RDJZCZTQSA-N 1 0 301.434 2.032 10 0 DEAERO O=C(NC1CC1)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065255941 354681071 /nfs/dbraw/zinc/68/10/71/354681071.db2.gz LAGUHNXZUTVANQ-KRWDZBQOSA-N 1 0 322.412 2.125 10 0 DEAERO CNC(=O)c1ccc(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)nn1 ZINC000074740397 355046043 /nfs/dbraw/zinc/04/60/43/355046043.db2.gz GJGFUUNLBABYPM-HNNXBMFYSA-N 1 0 319.453 2.005 10 0 DEAERO C[C@H]1C[C@@H](N(C)CC(=O)N(C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000123519638 291060591 /nfs/dbraw/zinc/06/05/91/291060591.db2.gz QHOXCRGBLBGDSW-YOEHRIQHSA-N 1 0 307.482 2.335 10 0 DEAERO Cc1c([C@H](C)NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cnn1C ZINC000079505316 355313765 /nfs/dbraw/zinc/31/37/65/355313765.db2.gz MCOSSFXTUHNZTG-ZFWWWQNUSA-N 1 0 319.453 2.059 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1cccc2ncccc21 ZINC000080084178 355345797 /nfs/dbraw/zinc/34/57/97/355345797.db2.gz HWSPYIDVNUYCCB-UHFFFAOYSA-N 1 0 313.401 2.077 10 0 DEAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000080126817 355348111 /nfs/dbraw/zinc/34/81/11/355348111.db2.gz HRCGNBHXJOLXCU-MCMMXHMISA-N 1 0 323.462 2.230 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000177106111 198667403 /nfs/dbraw/zinc/66/74/03/198667403.db2.gz HVRNDMZGZOFSRI-BLLLJJGKSA-N 1 0 316.405 2.345 10 0 DEAERO CN(CCc1ccc(C2=[NH+]CCN2)cc1)C(=O)OC(C)(C)C ZINC000117580746 355777993 /nfs/dbraw/zinc/77/79/93/355777993.db2.gz IDGNKAGOVJAHEO-UHFFFAOYSA-N 1 0 303.406 2.446 10 0 DEAERO Cn1cc(CC[NH2+]Cc2cc(O)ccc2Br)cn1 ZINC000126630953 355818425 /nfs/dbraw/zinc/81/84/25/355818425.db2.gz SCHHESQDQMMIGI-UHFFFAOYSA-N 1 0 310.195 2.221 10 0 DEAERO C[C@@H](CCC(C)(C)C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000153841036 355938641 /nfs/dbraw/zinc/93/86/41/355938641.db2.gz KUVRVJOWHVRCNK-GJZGRUSLSA-N 1 0 313.486 2.347 10 0 DEAERO CCCNC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000169317322 355979054 /nfs/dbraw/zinc/97/90/54/355979054.db2.gz WNRHOEKBKOZPEW-CQSZACIVSA-N 1 0 323.437 2.346 10 0 DEAERO COc1ccc(F)cc1[C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000179948384 356037067 /nfs/dbraw/zinc/03/70/67/356037067.db2.gz IREAILPCEYIMAP-QWRGUYRKSA-N 1 0 303.399 2.166 10 0 DEAERO CC(C)OC(=O)CC[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182041113 356107345 /nfs/dbraw/zinc/10/73/45/356107345.db2.gz BVHPAJUFTHVVIE-ZDUSSCGKSA-N 1 0 302.378 2.260 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181548484 356084696 /nfs/dbraw/zinc/08/46/96/356084696.db2.gz JOIMFOMCLKXHJJ-ZIAGYGMSSA-N 1 0 317.433 2.066 10 0 DEAERO NC(=[NH2+])[C@H](NS(=O)(=O)C1CCCCC1)C1CCCCC1 ZINC000079787078 191973351 /nfs/dbraw/zinc/97/33/51/191973351.db2.gz NGNZCZHLWGXWHB-CYBMUJFWSA-N 1 0 301.456 2.123 10 0 DEAERO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000182973974 356154528 /nfs/dbraw/zinc/15/45/28/356154528.db2.gz JURWQZUDGANMMU-IKGGRYGDSA-N 1 0 308.466 2.384 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000183008114 356156079 /nfs/dbraw/zinc/15/60/79/356156079.db2.gz VKMCXDASQMLGAX-UHFFFAOYSA-N 1 0 306.410 2.085 10 0 DEAERO CCc1cnc(CC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)s1 ZINC000183046483 356157517 /nfs/dbraw/zinc/15/75/17/356157517.db2.gz NFAURWGSFHMRJY-STQMWFEESA-N 1 0 316.492 2.193 10 0 DEAERO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)NCCN1CCc2ccccc21 ZINC000183067993 356158636 /nfs/dbraw/zinc/15/86/36/356158636.db2.gz SIZSNEGPMQEQRA-LSDHHAIUSA-N 1 0 303.450 2.190 10 0 DEAERO CCOc1ccc(NS(=O)(=O)CC(C)(C)C)cc1C[NH3+] ZINC000080193860 192011455 /nfs/dbraw/zinc/01/14/55/192011455.db2.gz POHWROWWNWSHGY-UHFFFAOYSA-N 1 0 300.424 2.332 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c(=O)c2ccccc12 ZINC000189712869 356216202 /nfs/dbraw/zinc/21/62/02/356216202.db2.gz WKVDXVKLDJOTEO-ZDUSSCGKSA-N 1 0 313.401 2.132 10 0 DEAERO CCC(CC)[C@H](CNC(=O)Cc1ccccc1)[NH+]1CCOCC1 ZINC000193060240 356222315 /nfs/dbraw/zinc/22/23/15/356222315.db2.gz TXOUXDRQFRYFCM-SFHVURJKSA-N 1 0 318.461 2.482 10 0 DEAERO NC(=O)c1ccc(OCC2([NH3+])CCCC2)cc1C(F)(F)F ZINC000080838319 192194889 /nfs/dbraw/zinc/19/48/89/192194889.db2.gz UCUPFPPWOQSXKK-UHFFFAOYSA-N 1 0 302.296 2.455 10 0 DEAERO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000226464140 356278783 /nfs/dbraw/zinc/27/87/83/356278783.db2.gz GBUQCRWMNMAKEA-SECBINFHSA-N 1 0 308.856 2.164 10 0 DEAERO COc1ccsc1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000227721291 356280402 /nfs/dbraw/zinc/28/04/02/356280402.db2.gz MFCQOYMCWXHNEQ-CYBMUJFWSA-N 1 0 302.399 2.455 10 0 DEAERO CC[C@](C)(CO)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000080897998 192198975 /nfs/dbraw/zinc/19/89/75/192198975.db2.gz ZODKPBCFSKUPTD-CHWSQXEVSA-N 1 0 302.212 2.233 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N(Cc2cccs2)C[C@H]2CCCO2)C1 ZINC000250078452 356332132 /nfs/dbraw/zinc/33/21/32/356332132.db2.gz GSJXMEUAEPZIJT-MGPQQGTHSA-N 1 0 308.447 2.383 10 0 DEAERO COC[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)c(N)c2)C1 ZINC000081041473 192218571 /nfs/dbraw/zinc/21/85/71/192218571.db2.gz JVJYXKWXEWSAQT-NSHDSACASA-N 1 0 311.813 2.219 10 0 DEAERO O=C(CCC1CC1)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000400788766 283158460 /nfs/dbraw/zinc/15/84/60/283158460.db2.gz SOFWMADAYCAGRN-UHFFFAOYSA-N 1 0 316.445 2.320 10 0 DEAERO C[NH2+]C[C@@H](O)c1ccc(Br)c(Br)c1 ZINC000300351790 356390242 /nfs/dbraw/zinc/39/02/42/356390242.db2.gz DNNRFHLTVUVWEC-SECBINFHSA-N 1 0 309.001 2.464 10 0 DEAERO CC[C@H](O)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400475207 283157443 /nfs/dbraw/zinc/15/74/43/283157443.db2.gz ZNELYXXPRGATQX-MCIONIFRSA-N 1 0 300.443 2.383 10 0 DEAERO Cn1ncc([C@H]2CCCCC[NH2+]2)c1I ZINC000306795078 356405553 /nfs/dbraw/zinc/40/55/53/356405553.db2.gz GHAMAKFVYDKYPZ-SECBINFHSA-N 1 0 305.163 2.229 10 0 DEAERO Cn1c(Cl)cnc1CN(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328606276 356459679 /nfs/dbraw/zinc/45/96/79/356459679.db2.gz QXAKCTSVNXGHJJ-CQSZACIVSA-N 1 0 319.840 2.080 10 0 DEAERO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328655570 356467017 /nfs/dbraw/zinc/46/70/17/356467017.db2.gz YMCDIKDSUWZHIH-NWDGAFQWSA-N 1 0 301.394 2.399 10 0 DEAERO C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000081450495 192268627 /nfs/dbraw/zinc/26/86/27/192268627.db2.gz RNWOBPCDMMGDSM-KBPBESRZSA-N 1 0 312.454 2.440 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCn2cnnc2C1 ZINC000081530806 192284496 /nfs/dbraw/zinc/28/44/96/192284496.db2.gz YVLMILFUUKEJQC-ZFWWWQNUSA-N 1 0 305.813 2.226 10 0 DEAERO CCOC(=O)CCC[NH2+]Cc1ccc(Br)cn1 ZINC000081545655 192288016 /nfs/dbraw/zinc/28/80/16/192288016.db2.gz ROLQMEZNWSPHTK-UHFFFAOYSA-N 1 0 301.184 2.277 10 0 DEAERO Cc1nc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)sc1C ZINC000081671933 192309333 /nfs/dbraw/zinc/30/93/33/192309333.db2.gz XLMXQGGFMSQOEX-OAHLLOKOSA-N 1 0 309.479 2.447 10 0 DEAERO CCCNC(=O)c1cccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000236888785 202054437 /nfs/dbraw/zinc/05/44/37/202054437.db2.gz USFTYPVGMCEBDJ-GXTWGEPZSA-N 1 0 303.406 2.282 10 0 DEAERO CCc1ccc([C@H]([NH3+])[C@H](C)SCCS(C)(=O)=O)cc1 ZINC000081768193 192320957 /nfs/dbraw/zinc/32/09/57/192320957.db2.gz ITQJMAVIFYQECK-SMDDNHRTSA-N 1 0 301.477 2.415 10 0 DEAERO CCOc1ccc(C(=O)CCC(=O)N2CCC([NH2+]C)CC2)cc1 ZINC000236892924 202056733 /nfs/dbraw/zinc/05/67/33/202056733.db2.gz CRVRZTBNHWCYDU-UHFFFAOYSA-N 1 0 318.417 2.259 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N(C)[C@H](C)C[NH3+])cc1 ZINC000236937133 202080216 /nfs/dbraw/zinc/08/02/16/202080216.db2.gz YBRBNACJZSHQCW-CYBMUJFWSA-N 1 0 306.406 2.244 10 0 DEAERO CCC[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000236941497 202082499 /nfs/dbraw/zinc/08/24/99/202082499.db2.gz SURFCQUGNYMIQS-QZTJIDSGSA-N 1 0 315.461 2.252 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]CCCOc1cccc(Cl)c1 ZINC000085904273 192537698 /nfs/dbraw/zinc/53/76/98/192537698.db2.gz SHOSWMMFAQIZIG-OAHLLOKOSA-N 1 0 301.814 2.486 10 0 DEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000236954268 202092121 /nfs/dbraw/zinc/09/21/21/202092121.db2.gz YMFVWEKZMGXZQR-WBMJQRKESA-N 1 0 305.422 2.393 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000086026079 192545630 /nfs/dbraw/zinc/54/56/30/192545630.db2.gz WADUHHMWKGLUGT-JSGCOSHPSA-N 1 0 301.839 2.295 10 0 DEAERO COC(=O)c1cncnc1N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381045017 356670261 /nfs/dbraw/zinc/67/02/61/356670261.db2.gz FMZFRVCIQSYPQP-CYBMUJFWSA-N 1 0 314.389 2.196 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC000578547150 356835396 /nfs/dbraw/zinc/83/53/96/356835396.db2.gz WSRHJIYXTKUNPB-CQSZACIVSA-N 1 0 314.429 2.158 10 0 DEAERO COc1cc(OC)cc(N2CC[C@@H]([NH2+]CCC(C)C)C2=O)c1 ZINC000237212390 202192813 /nfs/dbraw/zinc/19/28/13/202192813.db2.gz BXISTKCJANACKE-MRXNPFEDSA-N 1 0 306.406 2.445 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NCCC2=CC[NH2+]CC2)c1 ZINC000579449185 356975299 /nfs/dbraw/zinc/97/52/99/356975299.db2.gz YGJWGXMLZLFXHG-UHFFFAOYSA-N 1 0 316.405 2.101 10 0 DEAERO c1cnn(Cc2noc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000579614260 357005794 /nfs/dbraw/zinc/00/57/94/357005794.db2.gz XHBQHKSMOOAXGP-HNNXBMFYSA-N 1 0 309.373 2.304 10 0 DEAERO CC[NH2+]Cc1cc(F)c(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000088906607 192651008 /nfs/dbraw/zinc/65/10/08/192651008.db2.gz FDVONDBBMQOLTG-UHFFFAOYSA-N 1 0 302.415 2.274 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(C)c(S(=O)(=O)N(C)C2CC2)c1 ZINC000088941211 192663217 /nfs/dbraw/zinc/66/32/17/192663217.db2.gz QFSGNVQNIHGUKU-UHFFFAOYSA-N 1 0 314.426 2.417 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(C)C2CCCC2)c(C)o1 ZINC000088943591 192663682 /nfs/dbraw/zinc/66/36/82/192663682.db2.gz SESZZRJYKFRMQY-UHFFFAOYSA-N 1 0 300.424 2.261 10 0 DEAERO CC(C)N(Cc1cccs1)S(=O)(=O)CCC[NH2+]C1CC1 ZINC000088997737 192688799 /nfs/dbraw/zinc/68/87/99/192688799.db2.gz XCSXWEKXIXSUKG-UHFFFAOYSA-N 1 0 316.492 2.430 10 0 DEAERO O=C(Nc1ccc(C(F)(F)F)nc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179375016 199024429 /nfs/dbraw/zinc/02/44/29/199024429.db2.gz ZCCDQHZOKQCTIK-NSHDSACASA-N 1 0 314.311 2.412 10 0 DEAERO CCC[C@H](C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)[NH+](C)C ZINC000179334206 199017825 /nfs/dbraw/zinc/01/78/25/199017825.db2.gz DSWZTXKXPVMMSM-XJKSGUPXSA-N 1 0 315.421 2.175 10 0 DEAERO O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179816842 199083973 /nfs/dbraw/zinc/08/39/73/199083973.db2.gz JDQSBDUVJMJHFV-HUUCEWRRSA-N 1 0 308.809 2.070 10 0 DEAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000180044990 199111563 /nfs/dbraw/zinc/11/15/63/199111563.db2.gz NMQYEBRFDVEDPT-LSDHHAIUSA-N 1 0 316.449 2.071 10 0 DEAERO C[C@H](c1cnn(C)c1)N(C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000180207015 199130634 /nfs/dbraw/zinc/13/06/34/199130634.db2.gz INQNEAPGOYERGO-OAHLLOKOSA-N 1 0 321.469 2.245 10 0 DEAERO CN(C(=O)CCCCC(=O)OC(C)(C)C)[C@H]1C[NH+]2CCC1CC2 ZINC000594287915 358239739 /nfs/dbraw/zinc/23/97/39/358239739.db2.gz CAWMCCKIEVVNBV-HNNXBMFYSA-N 1 0 324.465 2.441 10 0 DEAERO CC[C@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1cnn(C)c1 ZINC000180508209 199168946 /nfs/dbraw/zinc/16/89/46/199168946.db2.gz MLFOWRQBKFPXIR-KBPBESRZSA-N 1 0 302.426 2.191 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000180698386 199198627 /nfs/dbraw/zinc/19/86/27/199198627.db2.gz XEDWPLGHWFVLEO-UHFFFAOYSA-N 1 0 320.437 2.473 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(Cl)cn1 ZINC000180828971 199215747 /nfs/dbraw/zinc/21/57/47/199215747.db2.gz FTQPJPJIODYUCY-RISCZKNCSA-N 1 0 310.829 2.217 10 0 DEAERO COc1cccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)n1 ZINC000180850514 199218032 /nfs/dbraw/zinc/21/80/32/199218032.db2.gz LCLPAAXLQPOAEF-ZDUSSCGKSA-N 1 0 313.405 2.396 10 0 DEAERO CC[NH2+]CCCN(C)S(=O)(=O)N1CCC(CC)(CC)CC1 ZINC000089028487 192709477 /nfs/dbraw/zinc/70/94/77/192709477.db2.gz SWFGTQVHCMEIRZ-UHFFFAOYSA-N 1 0 319.515 2.065 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)c(C)o1 ZINC000089049657 192720107 /nfs/dbraw/zinc/72/01/07/192720107.db2.gz PCTSHMCPGFGQQD-JSGCOSHPSA-N 1 0 312.435 2.261 10 0 DEAERO Cc1nn(C)c(CO[C@H]2CCC[C@H]2C[NH3+])c1Br ZINC000089234934 192749000 /nfs/dbraw/zinc/74/90/00/192749000.db2.gz JXRBJCODMJQUIL-ONGXEEELSA-N 1 0 302.216 2.135 10 0 DEAERO CCCOC[C@H]([NH3+])Cc1c(Br)c(C)nn1CC ZINC000089295957 192760559 /nfs/dbraw/zinc/76/05/59/192760559.db2.gz RARNURYOWBKWCL-SNVBAGLBSA-N 1 0 304.232 2.270 10 0 DEAERO CC1CCC([C@H](C[NH3+])N2CCN(CC(F)(F)F)CC2)CC1 ZINC000089576241 192820768 /nfs/dbraw/zinc/82/07/68/192820768.db2.gz NKDFQQPBEMSKNF-RUXDESIVSA-N 1 0 307.404 2.320 10 0 DEAERO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186672536 199989346 /nfs/dbraw/zinc/98/93/46/199989346.db2.gz OQAGHCFUOFSHKU-BLLLJJGKSA-N 1 0 313.401 2.307 10 0 DEAERO CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC2(CO)CC2)cc1 ZINC000186766614 200006299 /nfs/dbraw/zinc/00/62/99/200006299.db2.gz DKVGRGUIEUCIBD-GFCCVEGCSA-N 1 0 308.447 2.440 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)Cc2cccs2)C1 ZINC000187963675 200183800 /nfs/dbraw/zinc/18/38/00/200183800.db2.gz ZPPFRSGRTHSOKX-XJKSGUPXSA-N 1 0 310.463 2.189 10 0 DEAERO COC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)o1 ZINC000188095527 200193312 /nfs/dbraw/zinc/19/33/12/200193312.db2.gz WPUVNWDJGXETEL-JSGCOSHPSA-N 1 0 321.398 2.336 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccncc1C ZINC000188235643 200213246 /nfs/dbraw/zinc/21/32/46/200213246.db2.gz XJJMQUOQXRJSQC-JKSUJKDBSA-N 1 0 302.422 2.158 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000188164346 200202823 /nfs/dbraw/zinc/20/28/23/200202823.db2.gz HVKJFWIHTXNRDN-IRXDYDNUSA-N 1 0 321.465 2.338 10 0 DEAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CSC(=O)N2)cc1 ZINC000188352750 200232245 /nfs/dbraw/zinc/23/22/45/200232245.db2.gz XQZQQIWMBNPZGO-CYBMUJFWSA-N 1 0 307.419 2.292 10 0 DEAERO Cc1cccc(OC(F)F)c1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188491340 200255146 /nfs/dbraw/zinc/25/51/46/200255146.db2.gz GPQKBMPQUYOOEA-UHFFFAOYSA-N 1 0 322.315 2.218 10 0 DEAERO CCOc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C)[C@H](OC)C2)cc1 ZINC000189371564 200389131 /nfs/dbraw/zinc/38/91/31/200389131.db2.gz IWNRRURPFYVKFZ-HDMKZQKVSA-N 1 0 323.433 2.182 10 0 DEAERO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000189390626 200392434 /nfs/dbraw/zinc/39/24/34/200392434.db2.gz WGDOGKRVKJMQLE-RYUDHWBXSA-N 1 0 321.421 2.171 10 0 DEAERO COC[C@@H](O)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000601831676 360167375 /nfs/dbraw/zinc/16/73/75/360167375.db2.gz GXQGVQNGXWSAFJ-YIZRAAEISA-N 1 0 309.250 2.056 10 0 DEAERO CO[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443613447 238115967 /nfs/dbraw/zinc/11/59/67/238115967.db2.gz BDANGDDPAFVOJI-STQMWFEESA-N 1 0 303.324 2.330 10 0 DEAERO C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@@H](C)O1 ZINC000443676456 238120095 /nfs/dbraw/zinc/12/00/95/238120095.db2.gz TUAZXSXWLURVNY-MTSZKFMLSA-N 1 0 308.466 2.428 10 0 DEAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)CN(C)c1ccc(Cl)cn1 ZINC000605371807 360963427 /nfs/dbraw/zinc/96/34/27/360963427.db2.gz CXUKRGZNFQPQBE-AWEZNQCLSA-N 1 0 324.856 2.162 10 0 DEAERO O=C(C[N@@H+]1CCCC12CCC2)NCCOc1ccc(F)cc1 ZINC000444778298 238305319 /nfs/dbraw/zinc/30/53/19/238305319.db2.gz VYWDLUDUHKRYBV-UHFFFAOYSA-N 1 0 306.381 2.339 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000607927641 361130113 /nfs/dbraw/zinc/13/01/13/361130113.db2.gz FGJCQMGOLNZEIC-UHFFFAOYSA-N 1 0 317.389 2.385 10 0 DEAERO C[NH+](C)CCn1cc(NC(=O)c2cccc3cnccc32)cn1 ZINC000608585443 361234001 /nfs/dbraw/zinc/23/40/01/361234001.db2.gz RRJPAHCIPGSZQJ-UHFFFAOYSA-N 1 0 309.373 2.245 10 0 DEAERO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)s1 ZINC000193474560 201058130 /nfs/dbraw/zinc/05/81/30/201058130.db2.gz XIOYMQNGCNSUMF-MRXNPFEDSA-N 1 0 321.446 2.220 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)N(CC(F)(F)F)C(CC)CC ZINC000090490287 192924362 /nfs/dbraw/zinc/92/43/62/192924362.db2.gz FBDKNSDPHXCWTB-RYUDHWBXSA-N 1 0 310.360 2.190 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CCC(=O)OCC)C1 ZINC000611043608 361517924 /nfs/dbraw/zinc/51/79/24/361517924.db2.gz RMAWHQZMZGPDFI-CVEARBPZSA-N 1 0 324.465 2.443 10 0 DEAERO O=C(NCCCCO)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000194340186 201205721 /nfs/dbraw/zinc/20/57/21/201205721.db2.gz OEBZOJOYOKXREK-KRWDZBQOSA-N 1 0 319.449 2.113 10 0 DEAERO COC(=O)C(C)(C)[C@H]([NH2+]CC(=O)NCC(C)C)c1ccccc1 ZINC000611406623 361593006 /nfs/dbraw/zinc/59/30/06/361593006.db2.gz SKEMCFJPUXWPTF-MRXNPFEDSA-N 1 0 320.433 2.289 10 0 DEAERO CSC1(CNC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000194640275 201267291 /nfs/dbraw/zinc/26/72/91/201267291.db2.gz SYGVKHNAAZYBAL-UHFFFAOYSA-N 1 0 308.447 2.252 10 0 DEAERO O[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515917 201397367 /nfs/dbraw/zinc/39/73/67/201397367.db2.gz HYJAURCAAHAANF-QZTJIDSGSA-N 1 0 311.429 2.419 10 0 DEAERO C[N@H+](CCNC(=O)Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000620483217 364062945 /nfs/dbraw/zinc/06/29/45/364062945.db2.gz HRRNIFDXQGAGBY-UHFFFAOYSA-N 1 0 318.417 2.339 10 0 DEAERO C[C@@H](C[N@@H+]1CCC[C@]12CCOC2)c1ccc(S(C)(=O)=O)cc1 ZINC000449311217 240340403 /nfs/dbraw/zinc/34/04/03/240340403.db2.gz LFGCDBGNGYBTSX-WMLDXEAASA-N 1 0 323.458 2.449 10 0 DEAERO C(=C\c1ccccc1)\C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623652618 365117327 /nfs/dbraw/zinc/11/73/27/365117327.db2.gz LFACVIXKZCJXHG-OUOZUETKSA-N 1 0 320.400 2.006 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(Br)s1 ZINC000623767492 365168157 /nfs/dbraw/zinc/16/81/57/365168157.db2.gz WVQHREDLDLGWAD-XHNCKOQMSA-N 1 0 306.225 2.311 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(Br)s1 ZINC000623767493 365168301 /nfs/dbraw/zinc/16/83/01/365168301.db2.gz WVQHREDLDLGWAD-YIZRAAEISA-N 1 0 306.225 2.311 10 0 DEAERO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)Nc1nccs1 ZINC000128041142 283849374 /nfs/dbraw/zinc/84/93/74/283849374.db2.gz IEUVRKQSUAYHAK-VXGBXAGGSA-N 1 0 305.407 2.052 10 0 DEAERO CC(C)N(Cc1cccs1)[C@@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323431 193040760 /nfs/dbraw/zinc/04/07/60/193040760.db2.gz ZZZXTPSYMLSHQK-CQSZACIVSA-N 1 0 309.479 2.298 10 0 DEAERO Cc1nn(C)c(C[C@@](C[NH3+])(c2ccccc2)[C@@H](C)O)c1Cl ZINC000091327736 193042472 /nfs/dbraw/zinc/04/24/72/193042472.db2.gz GURJADZAYBJHOF-WBMJQRKESA-N 1 0 307.825 2.202 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc3nc(N)sc3c2)C1 ZINC000091395546 193050646 /nfs/dbraw/zinc/05/06/46/193050646.db2.gz DNJKSTRERIARQU-NSHDSACASA-N 1 0 304.419 2.045 10 0 DEAERO OC1CC(C[NH2+]CCOc2ccc(Br)cc2)C1 ZINC000091525043 193068573 /nfs/dbraw/zinc/06/85/73/193068573.db2.gz AQXMASJLLNWLFP-UHFFFAOYSA-N 1 0 300.196 2.188 10 0 DEAERO CCn1nc(C)c(Br)c1CC(=O)C(C)(C)[NH+](C)C ZINC000091528124 193070115 /nfs/dbraw/zinc/07/01/15/193070115.db2.gz AOVMQZSMJGKBIF-UHFFFAOYSA-N 1 0 316.243 2.426 10 0 DEAERO C[C@]1(C(=O)N2CCC[N@H+](CC3CCC3)CC2)CCCNC1=O ZINC000329008197 291349663 /nfs/dbraw/zinc/34/96/63/291349663.db2.gz NQUNHRGJXRVBDA-KRWDZBQOSA-N 1 0 307.438 2.077 10 0 DEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)[C@](C)(CC)N1CCCC1 ZINC000091607115 193079925 /nfs/dbraw/zinc/07/99/25/193079925.db2.gz OYCMIKINGYPURO-HOTGVXAUSA-N 1 0 318.527 2.444 10 0 DEAERO CCS(=O)(=O)CCC[C@H](O)C(C)(C)[NH+]1CCCCCC1 ZINC000091567702 193074148 /nfs/dbraw/zinc/07/41/48/193074148.db2.gz YHENXZIMYDHXPL-AWEZNQCLSA-N 1 0 305.484 2.217 10 0 DEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)[C@](C)(CC)N(C)C ZINC000091571698 193074169 /nfs/dbraw/zinc/07/41/69/193074169.db2.gz VXKZPOJSVKBPMJ-GJZGRUSLSA-N 1 0 306.516 2.300 10 0 DEAERO CC[C@@](C)(C(=O)Cc1c(Br)c(C)nn1C)[NH+](C)C ZINC000091568808 193074295 /nfs/dbraw/zinc/07/42/95/193074295.db2.gz SKFMISRQQBWXLF-ZDUSSCGKSA-N 1 0 316.243 2.333 10 0 DEAERO CC[C@@](C)([C@@H](CCCS(=O)(=O)CC)[NH2+]C)N1CCCCC1 ZINC000091609589 193079461 /nfs/dbraw/zinc/07/94/61/193079461.db2.gz QMEIDQXDAIVXFX-CVEARBPZSA-N 1 0 318.527 2.444 10 0 DEAERO CCn1nc(C)cc1C[NH+]1CCC(SC)(C(N)=S)CC1 ZINC000091487987 193062988 /nfs/dbraw/zinc/06/29/88/193062988.db2.gz CSSZMMTVZGBZIU-UHFFFAOYSA-N 1 0 312.508 2.195 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Br)cc1 ZINC000624171924 365318613 /nfs/dbraw/zinc/31/86/13/365318613.db2.gz FBONMXGHGXIUTL-RISCZKNCSA-N 1 0 313.239 2.430 10 0 DEAERO COc1c(C)cc(C[N@H+](C)[C@H](C)CN2CCOCC2)cc1C ZINC000091510289 193066682 /nfs/dbraw/zinc/06/66/82/193066682.db2.gz JRUKLKKUPNXCHQ-MRXNPFEDSA-N 1 0 306.450 2.465 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cccc(Br)c1 ZINC000624235800 365345835 /nfs/dbraw/zinc/34/58/35/365345835.db2.gz POCIWNXGSDDMBH-TVYUQYBPSA-N 1 0 300.196 2.250 10 0 DEAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000624239144 365347261 /nfs/dbraw/zinc/34/72/61/365347261.db2.gz FGAYVLPKVNFOHB-KXUCPTDWSA-N 1 0 318.236 2.237 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(Br)cc1F ZINC000624237849 365347305 /nfs/dbraw/zinc/34/73/05/365347305.db2.gz FSQFLFYCJRZWHD-HJIKLVIJSA-N 1 0 318.186 2.389 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(c2nc(Cl)ncc2Br)C1 ZINC000091659388 193086258 /nfs/dbraw/zinc/08/62/58/193086258.db2.gz ZKSHTPKWMWTJKS-MRVPVSSYSA-N 1 0 319.634 2.423 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+][C@H]3CCCC34CC4)C2)ccn1 ZINC000624262608 365359147 /nfs/dbraw/zinc/35/91/47/365359147.db2.gz SVBXDAJKDNGXHT-SJORKVTESA-N 1 0 301.434 2.205 10 0 DEAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@@H]1CN(C)CCO1 ZINC000091718514 193096671 /nfs/dbraw/zinc/09/66/71/193096671.db2.gz RYCHVFVEAXFGSS-GJZGRUSLSA-N 1 0 300.805 2.330 10 0 DEAERO C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)[C@@H]1CN(C)CCO1 ZINC000091717592 193096774 /nfs/dbraw/zinc/09/67/74/193096774.db2.gz GPYQVAQNJUNBKB-QWHCGFSZSA-N 1 0 304.312 2.176 10 0 DEAERO C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CN(C)CCO1 ZINC000091717492 193096874 /nfs/dbraw/zinc/09/68/74/193096874.db2.gz PYZQOOURIRWQJP-KGLIPLIRSA-N 1 0 302.340 2.167 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(F)c(Br)c1 ZINC000624235584 365344840 /nfs/dbraw/zinc/34/48/40/365344840.db2.gz MSJPVTMUIQAQRS-CKLFPEKLSA-N 1 0 318.186 2.389 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cccc(Br)c1 ZINC000624235801 365344848 /nfs/dbraw/zinc/34/48/48/365344848.db2.gz POCIWNXGSDDMBH-XDTLVQLUSA-N 1 0 300.196 2.250 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(Br)cc1 ZINC000624235887 365345505 /nfs/dbraw/zinc/34/55/05/365345505.db2.gz RHTDAXGPOMKTJL-TVYUQYBPSA-N 1 0 300.196 2.250 10 0 DEAERO C[NH2+]C1CCC(NC(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000091871926 193121091 /nfs/dbraw/zinc/12/10/91/193121091.db2.gz STXICGSIZPIFMT-UHFFFAOYSA-N 1 0 301.312 2.361 10 0 DEAERO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2Cl)C[NH2+]1 ZINC000624407148 365413711 /nfs/dbraw/zinc/41/37/11/365413711.db2.gz UMMXBSQABVRHKL-RKDXNWHRSA-N 1 0 323.245 2.412 10 0 DEAERO CC[C@H](C[NH3+])[C@@H](O)c1cc2c(c(Br)c1)OCO2 ZINC000091909240 193124943 /nfs/dbraw/zinc/12/49/43/193124943.db2.gz KILTXOIPFWCYTN-RDDDGLTNSA-N 1 0 302.168 2.196 10 0 DEAERO C[NH2+]CCOCCN(C)Cc1ccc(C)cc1Br ZINC000629652676 367287280 /nfs/dbraw/zinc/28/72/80/367287280.db2.gz BZZPFLRWFVEANC-UHFFFAOYSA-N 1 0 315.255 2.425 10 0 DEAERO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000450897481 242364554 /nfs/dbraw/zinc/36/45/54/242364554.db2.gz QALPZPQXIYAXCV-AYBZRNKSSA-N 1 0 319.445 2.421 10 0 DEAERO C[C@H]1CN(c2ccnc3cc(Br)cnc32)C[C@H]1C[NH3+] ZINC000630553684 367723809 /nfs/dbraw/zinc/72/38/09/367723809.db2.gz KXVQZVBCEFUBOG-VHSXEESVSA-N 1 0 321.222 2.423 10 0 DEAERO COC[C@@H]([NH3+])Cc1cn(-c2cc(Cl)ccc2Cl)nn1 ZINC000630600121 367750724 /nfs/dbraw/zinc/75/07/24/367750724.db2.gz XKCSRBMSXMWFMC-VIFPVBQESA-N 1 0 301.177 2.090 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(C[NH3+])c2F)C[C@H]1C ZINC000092113813 193161482 /nfs/dbraw/zinc/16/14/82/193161482.db2.gz GFVUCGZRJHPEKB-RKDXNWHRSA-N 1 0 320.817 2.214 10 0 DEAERO CC(C)[NH2+]Cc1cccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092113712 193161485 /nfs/dbraw/zinc/16/14/85/193161485.db2.gz RGXUGPWQZWUELZ-OKILXGFUSA-N 1 0 310.463 2.461 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)ccc1F ZINC000092113602 193161814 /nfs/dbraw/zinc/16/18/14/193161814.db2.gz DTLVLHIJBMYBGX-TXEJJXNPSA-N 1 0 314.426 2.212 10 0 DEAERO CCc1ccc(C[NH2+]C)cc1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113824 193161850 /nfs/dbraw/zinc/16/18/50/193161850.db2.gz YGULWOFSJUSKHZ-CHWSQXEVSA-N 1 0 310.463 2.245 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)c(F)c1 ZINC000092115477 193162992 /nfs/dbraw/zinc/16/29/92/193162992.db2.gz ARXFHHGTKKPINJ-NSHDSACASA-N 1 0 300.399 2.108 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC2CCCCC2)c(F)c1 ZINC000092115762 193163290 /nfs/dbraw/zinc/16/32/90/193163290.db2.gz QHVLOIGGBKKPNP-UHFFFAOYSA-N 1 0 300.399 2.156 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H]2C)c(F)c1 ZINC000092115743 193163318 /nfs/dbraw/zinc/16/33/18/193163318.db2.gz WBTSQMRYHDYWRU-GFCCVEGCSA-N 1 0 314.426 2.498 10 0 DEAERO CCCCN(CC)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115518 193163482 /nfs/dbraw/zinc/16/34/82/193163482.db2.gz QXERIJBDYFBOLZ-UHFFFAOYSA-N 1 0 302.415 2.356 10 0 DEAERO c1cc(C[NH2+]CCCOC[C@H]2CCOC2)n(CC2CCC2)n1 ZINC000631078613 368006255 /nfs/dbraw/zinc/00/62/55/368006255.db2.gz VLUBBADZTYFDTJ-MRXNPFEDSA-N 1 0 307.438 2.216 10 0 DEAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092203032 193173119 /nfs/dbraw/zinc/17/31/19/193173119.db2.gz VDRKZEFVRZGQDQ-MPKXVKKWSA-N 1 0 323.234 2.400 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(OCC(F)(F)F)cc2)C1 ZINC000092202811 193173178 /nfs/dbraw/zinc/17/31/78/193173178.db2.gz VGLRZTFMYRDONZ-VHSXEESVSA-N 1 0 300.280 2.470 10 0 DEAERO c1cnc2c(c1)[C@@H]([NH2+]Cc1ccc(-c3nncnn3)cc1)CCC2 ZINC000631644548 368324215 /nfs/dbraw/zinc/32/42/15/368324215.db2.gz UVMHTXFQZPHGGT-KRWDZBQOSA-N 1 0 318.384 2.496 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@H](C)N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000631831563 368409330 /nfs/dbraw/zinc/40/93/30/368409330.db2.gz IPXLFIBTTGGORO-XJKSGUPXSA-N 1 0 317.433 2.420 10 0 DEAERO c1ccc(Cc2noc(CN3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886519 368442216 /nfs/dbraw/zinc/44/22/16/368442216.db2.gz IHGJKQMTGISAOU-HZPDHXFCSA-N 1 0 312.417 2.234 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000631959992 368468359 /nfs/dbraw/zinc/46/83/59/368468359.db2.gz GJTZYQNFECKUHI-ZDUSSCGKSA-N 1 0 300.399 2.026 10 0 DEAERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(F)cc1N(C)C ZINC000125728047 296130340 /nfs/dbraw/zinc/13/03/40/296130340.db2.gz UHFIPQMGNITJJX-CXAGYDPISA-N 1 0 310.413 2.331 10 0 DEAERO Brc1csc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000093011959 193192999 /nfs/dbraw/zinc/19/29/99/193192999.db2.gz MBWDJSGNXWNKFC-BDAKNGLRSA-N 1 0 318.240 2.181 10 0 DEAERO O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000261988261 203168229 /nfs/dbraw/zinc/16/82/29/203168229.db2.gz SNWPNPWBNIOTNP-OIISXLGYSA-N 1 0 302.418 2.270 10 0 DEAERO COC(=O)c1cc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c[nH]1 ZINC000452344194 244179717 /nfs/dbraw/zinc/17/97/17/244179717.db2.gz NCWUYRJROJWZRL-AWEZNQCLSA-N 1 0 321.421 2.042 10 0 DEAERO O=C(C[C@@H]1COCC[NH2+]1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000262357093 203272941 /nfs/dbraw/zinc/27/29/41/203272941.db2.gz GVXJTWOGFIYLEU-HZPDHXFCSA-N 1 0 306.381 2.258 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(-c2nnc(C)n2C)c1 ZINC000262509867 203315011 /nfs/dbraw/zinc/31/50/11/203315011.db2.gz AYOQKCBTAKKJHP-HZMBPMFUSA-N 1 0 301.394 2.102 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)NCCCc1cc(OC)ccc1OC ZINC000262578845 203336726 /nfs/dbraw/zinc/33/67/26/203336726.db2.gz PQDWNWADCPVLEG-KRWDZBQOSA-N 1 0 308.422 2.270 10 0 DEAERO [NH3+][C@H]1CC[C@H](Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000093218782 193218454 /nfs/dbraw/zinc/21/84/54/193218454.db2.gz IJMFPYRURVLFFP-WPRPVWTQSA-N 1 0 309.309 2.239 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](Oc2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000093219167 193218456 /nfs/dbraw/zinc/21/84/56/193218456.db2.gz GOSIEIMQNUFETD-RKDXNWHRSA-N 1 0 309.309 2.239 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(CC)C[C@H](C)CC)cn1C ZINC000093265727 193222597 /nfs/dbraw/zinc/22/25/97/193222597.db2.gz LPVAKWGDFVNBTM-CYBMUJFWSA-N 1 0 315.483 2.191 10 0 DEAERO C[NH2+][C@@H](Cc1cc(Br)ccc1OC)C(OC)OC ZINC000093304941 193228051 /nfs/dbraw/zinc/22/80/51/193228051.db2.gz GRSXGMYVKBQREQ-NSHDSACASA-N 1 0 318.211 2.207 10 0 DEAERO CCN1C(N)=[NH+]C[C@@]12CCc1cc(Br)ccc1C2 ZINC000093357860 193236576 /nfs/dbraw/zinc/23/65/76/193236576.db2.gz IKRNBLJKEZIBOS-AWEZNQCLSA-N 1 0 308.223 2.327 10 0 DEAERO COc1ccc([C@@H]2CNC(=[NH2+])N2C[C@@H]2CCCO2)cc1Cl ZINC000093377811 193240851 /nfs/dbraw/zinc/24/08/51/193240851.db2.gz LRXKKJQKZZJBEB-AAEUAGOBSA-N 1 0 309.797 2.199 10 0 DEAERO 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307.737 2.004 10 0 DEAERO [NH3+]Cc1ccc(C(=O)NCc2ccccc2Br)o1 ZINC000094570608 193380965 /nfs/dbraw/zinc/38/09/65/193380965.db2.gz IFISDPZYDMLRFC-UHFFFAOYSA-N 1 0 309.163 2.431 10 0 DEAERO [NH3+]Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)o1 ZINC000094565872 193381061 /nfs/dbraw/zinc/38/10/61/193381061.db2.gz URUTYYPHDOJXQP-UHFFFAOYSA-N 1 0 308.721 2.415 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3nccs3)c2)O1 ZINC000094567505 193381127 /nfs/dbraw/zinc/38/11/27/193381127.db2.gz PULOQUQJXYAQSM-STQMWFEESA-N 1 0 303.387 2.255 10 0 DEAERO C[C@H](CC[NH+](C)C)NC(=O)c1cc(C(F)(F)F)ccc1N ZINC000094595943 193382198 /nfs/dbraw/zinc/38/21/98/193382198.db2.gz OJFAWDUIRNJMAJ-SECBINFHSA-N 1 0 303.328 2.358 10 0 DEAERO C[N@H+](CCNC(=O)c1cccc(C(F)(F)F)c1N)C1CC1 ZINC000094599046 193382992 /nfs/dbraw/zinc/38/29/92/193382992.db2.gz YVRXRWBSUUYRDG-UHFFFAOYSA-N 1 0 301.312 2.112 10 0 DEAERO CCNc1c(C(=O)NCC[NH+](C)C)cccc1C(F)(F)F ZINC000094598334 193383487 /nfs/dbraw/zinc/38/34/87/193383487.db2.gz RYKQGWQTQZQAMH-UHFFFAOYSA-N 1 0 303.328 2.429 10 0 DEAERO Brc1ccc2nc(NCCC[NH+]3CCCC3)nn2c1 ZINC000094605682 193384213 /nfs/dbraw/zinc/38/42/13/193384213.db2.gz NBOCSXVGTKPQMB-UHFFFAOYSA-N 1 0 324.226 2.390 10 0 DEAERO [NH3+]CC[C@H]1CCCCN1c1nc2c(Br)cccn2n1 ZINC000094608366 193384362 /nfs/dbraw/zinc/38/43/62/193384362.db2.gz ZDWPYUIVHFGEMU-SNVBAGLBSA-N 1 0 324.226 2.200 10 0 DEAERO Brc1cccn2nc(N[C@H]3CCCC[NH2+]C3)nc12 ZINC000094608335 193384720 /nfs/dbraw/zinc/38/47/20/193384720.db2.gz VMVZGLNQHRQZAL-VIFPVBQESA-N 1 0 310.199 2.046 10 0 DEAERO C[C@H]1CCC[C@@H](C[NH3+])N1c1nc2c(Br)cccn2n1 ZINC000094608391 193384814 /nfs/dbraw/zinc/38/48/14/193384814.db2.gz YXFWHASNHHIFRB-UWVGGRQHSA-N 1 0 324.226 2.198 10 0 DEAERO CCC[NH2+]C[C@@H](Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000094976300 193410423 /nfs/dbraw/zinc/41/04/23/193410423.db2.gz JGFPQZFCIIWTNM-CHWSQXEVSA-N 1 0 316.492 2.045 10 0 DEAERO Cc1cc(F)c([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1F ZINC000094736792 193394142 /nfs/dbraw/zinc/39/41/42/193394142.db2.gz CQNMVLLQCXLLND-WDEREUQCSA-N 1 0 303.374 2.359 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)[C@@]1(C)CCCO1 ZINC000094783534 193397977 /nfs/dbraw/zinc/39/79/77/193397977.db2.gz ZOUQLTQJVYPAHJ-WCQYABFASA-N 1 0 316.243 2.191 10 0 DEAERO CC1(C)CC[N@H+](CCC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000094803255 193398941 /nfs/dbraw/zinc/39/89/41/193398941.db2.gz UWYVHGYKABEMDF-UHFFFAOYSA-N 1 0 305.447 2.381 10 0 DEAERO c1ccc(COC2CC([NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000453331858 245076376 /nfs/dbraw/zinc/07/63/76/245076376.db2.gz HVUSRKLOGISVIK-FXSDRFNOSA-N 1 0 316.445 2.187 10 0 DEAERO CC[NH2+]C[C@](C)(O)Cc1cc(OC)ccc1Br ZINC000097210034 193691821 /nfs/dbraw/zinc/69/18/21/193691821.db2.gz QWJGBCSOHGZEKA-CYBMUJFWSA-N 1 0 302.212 2.361 10 0 DEAERO O=C(Nc1cccc(C(F)(F)F)c1)c1n[nH]c2c1C[NH2+]CC2 ZINC000082807270 284348842 /nfs/dbraw/zinc/34/88/42/284348842.db2.gz OZSXJUYJECRQRM-UHFFFAOYSA-N 1 0 310.279 2.327 10 0 DEAERO O=C(c1ccc(I)cc1)C1CC[NH2+]CC1 ZINC000019415913 182122678 /nfs/dbraw/zinc/12/26/78/182122678.db2.gz ZCGDVAIFYMHKFC-UHFFFAOYSA-N 1 0 315.154 2.474 10 0 DEAERO COc1ccc2cc(C[NH2+][C@H]3CCS(=O)(=O)C3)ccc2c1 ZINC000020019843 182178740 /nfs/dbraw/zinc/17/87/40/182178740.db2.gz OMZKVDCWQFZOSC-HNNXBMFYSA-N 1 0 305.399 2.125 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@](C)(COC)C2)CC1 ZINC000454640287 246018378 /nfs/dbraw/zinc/01/83/78/246018378.db2.gz CWLTUENHTHCOKG-KRWDZBQOSA-N 1 0 311.470 2.176 10 0 DEAERO CCCOc1ccc(Cl)cc1CNCCC[NH2+]CCO ZINC000020967815 182256914 /nfs/dbraw/zinc/25/69/14/182256914.db2.gz MELKEBMDCYALOF-UHFFFAOYSA-N 1 0 300.830 2.190 10 0 DEAERO CC(C)C[NH2+]CCc1ccc(CN2CCS(=O)CC2)cc1 ZINC000097804882 193759494 /nfs/dbraw/zinc/75/94/94/193759494.db2.gz WXZUZJSBUQGZQT-UHFFFAOYSA-N 1 0 308.491 2.039 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Br)o2)C[C@@H](C)O1 ZINC000022215186 182313790 /nfs/dbraw/zinc/31/37/90/182313790.db2.gz RQKWILGPCSQRSX-BBBLOLIVSA-N 1 0 303.200 2.151 10 0 DEAERO CC[NH2+][C@@H](Cc1cc(F)cc(F)c1)[C@H]1CCCCS1(=O)=O ZINC000097924669 193767797 /nfs/dbraw/zinc/76/77/97/193767797.db2.gz JLPZLYHMBCCRAG-LSDHHAIUSA-N 1 0 317.401 2.453 10 0 DEAERO Cc1c2ccccc2[nH]c(=O)c1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261711311 291610346 /nfs/dbraw/zinc/61/03/46/291610346.db2.gz BVZBOUKRNJLKNX-AWEZNQCLSA-N 1 0 313.401 2.448 10 0 DEAERO CCN(CC)C(=O)c1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000174018150 284566031 /nfs/dbraw/zinc/56/60/31/284566031.db2.gz FDKNRHQGJJFTBX-CYBMUJFWSA-N 1 0 303.406 2.107 10 0 DEAERO COC[C@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458231624 248221429 /nfs/dbraw/zinc/22/14/29/248221429.db2.gz HGPHUPJSWKXAEE-WBVHZDCISA-N 1 0 319.449 2.405 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000037917579 182936550 /nfs/dbraw/zinc/93/65/50/182936550.db2.gz MFZFBEQZUNPNSU-STQMWFEESA-N 1 0 314.476 2.209 10 0 DEAERO O=C(Nc1cccc(C[NH2+]C[C@H]2CCOC2)c1)C(F)(F)F ZINC000038003613 182959402 /nfs/dbraw/zinc/95/94/02/182959402.db2.gz NNSKUBYQOMQQKE-LLVKDONJSA-N 1 0 302.296 2.314 10 0 DEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)ccc2Br)C1 ZINC000040452307 183068254 /nfs/dbraw/zinc/06/82/54/183068254.db2.gz GSYURXJIBNUSSB-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO CCOC(=O)c1c(C2CC2)csc1NC(=O)C[NH2+]C1CC1 ZINC000040415359 183063725 /nfs/dbraw/zinc/06/37/25/183063725.db2.gz OEPTZRJRRFVDGO-UHFFFAOYSA-N 1 0 308.403 2.493 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000040462326 183071123 /nfs/dbraw/zinc/07/11/23/183071123.db2.gz ZMNSMDLQIKXNKB-YFKTTZPYSA-N 1 0 310.360 2.366 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(I)o1 ZINC000040775834 183132417 /nfs/dbraw/zinc/13/24/17/183132417.db2.gz BWWJQTDMXCSDCO-VIFPVBQESA-N 1 0 323.174 2.381 10 0 DEAERO CN(c1ncnc(Nc2ccccc2)c1N)C1CC[NH+](C)CC1 ZINC000040781125 183132989 /nfs/dbraw/zinc/13/29/89/183132989.db2.gz FBTYNDMNNGOQBG-UHFFFAOYSA-N 1 0 312.421 2.333 10 0 DEAERO CC[C@@H]([NH3+])C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000040856315 183142752 /nfs/dbraw/zinc/14/27/52/183142752.db2.gz HSKHTOONYMMLBE-SNVBAGLBSA-N 1 0 303.284 2.340 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000040713145 183121665 /nfs/dbraw/zinc/12/16/65/183121665.db2.gz FKVWSMABAPABMQ-KCJUWKMLSA-N 1 0 306.259 2.160 10 0 DEAERO CN(CC(=O)Nc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746942 183128810 /nfs/dbraw/zinc/12/88/10/183128810.db2.gz QVKVAGXRLYRECV-YIONKMFJSA-N 1 0 307.825 2.493 10 0 DEAERO Cn1ccnc1[C@H](NC(=O)CC[NH+](C)C)c1ccccc1Cl ZINC000041536402 183199711 /nfs/dbraw/zinc/19/97/11/183199711.db2.gz HNGRJBOBCDQOPH-OAHLLOKOSA-N 1 0 320.824 2.231 10 0 DEAERO Cc1nn(C)c2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c12 ZINC000041471600 183193337 /nfs/dbraw/zinc/19/33/37/183193337.db2.gz JVXAOMYOVLXNPY-UHFFFAOYSA-N 1 0 302.426 2.393 10 0 DEAERO CC[NH+](CC)CCNC(=O)C1(c2ccc(OC)c(OC)c2)CC1 ZINC000041509620 183194994 /nfs/dbraw/zinc/19/49/94/183194994.db2.gz HYNPQXZBLSCVOR-UHFFFAOYSA-N 1 0 320.433 2.193 10 0 DEAERO CC[NH2+]C1(c2nc(C(C)C)cs2)CCS(=O)(=O)CC1 ZINC000042333232 183255119 /nfs/dbraw/zinc/25/51/19/183255119.db2.gz ZYLKTNGJQWRQEI-UHFFFAOYSA-N 1 0 302.465 2.280 10 0 DEAERO CC(C)[N@H+](CCO)CC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000042478126 183274454 /nfs/dbraw/zinc/27/44/54/183274454.db2.gz JPHDDBQNHKCLMH-UHFFFAOYSA-N 1 0 320.220 2.217 10 0 DEAERO COc1cc(OC)cc([C@@H](C[NH3+])N(C)Cc2cscn2)c1 ZINC000042863628 183315092 /nfs/dbraw/zinc/31/50/92/183315092.db2.gz LOTHVEMRCMIVCY-OAHLLOKOSA-N 1 0 307.419 2.292 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCN(C(C)=O)CC1 ZINC000043050950 183333127 /nfs/dbraw/zinc/33/31/27/183333127.db2.gz UQRKHNRFPPAVAE-HZPDHXFCSA-N 1 0 309.841 2.283 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)N(C)C ZINC000042945269 183320072 /nfs/dbraw/zinc/32/00/72/183320072.db2.gz YVUFUAKSUZBBDL-NILFDRSVSA-N 1 0 309.841 2.281 10 0 DEAERO CNC(=O)C1CCN([C@@H](c2cccc(Cl)c2)[C@H](C)[NH3+])CC1 ZINC000043014562 183327542 /nfs/dbraw/zinc/32/75/42/183327542.db2.gz KUSQUUXOSHZWSK-XHDPSFHLSA-N 1 0 309.841 2.186 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1cccc(Cl)c1 ZINC000043019690 183329075 /nfs/dbraw/zinc/32/90/75/183329075.db2.gz PEHYNGMMBUOGPY-KRTXAFLBSA-N 1 0 310.810 2.186 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CC(=O)NC1CC1 ZINC000043051479 183332725 /nfs/dbraw/zinc/33/27/25/183332725.db2.gz JWHIXGHNOKABNN-ZBFHGGJFSA-N 1 0 309.841 2.329 10 0 DEAERO Cn1cc([C@@H](C[NH3+])Oc2ccc(Br)cc2F)cn1 ZINC000043235562 183345489 /nfs/dbraw/zinc/34/54/89/183345489.db2.gz WBFWBAKGBCCOMU-GFCCVEGCSA-N 1 0 314.158 2.401 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1sccc1C)N1CCCC[C@@H]1C(=O)NC ZINC000043248710 183346643 /nfs/dbraw/zinc/34/66/43/183346643.db2.gz XKHAEGZQYTWBNT-BFHYXJOUSA-N 1 0 309.479 2.435 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CCC(CC(N)=O)CC1 ZINC000043242771 183346668 /nfs/dbraw/zinc/34/66/68/183346668.db2.gz LVTAYUBLBGJUEV-XJKSGUPXSA-N 1 0 309.479 2.422 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N1CCC(O)CC1 ZINC000043258817 183348898 /nfs/dbraw/zinc/34/88/98/183348898.db2.gz ALEXZEHWKQXYFY-QPUJVOFHSA-N 1 0 319.268 2.356 10 0 DEAERO Cn1cnnc1S[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000043283540 183350624 /nfs/dbraw/zinc/35/06/24/183350624.db2.gz HSYQBSSLXPDIMC-ZETCQYMHSA-N 1 0 319.253 2.431 10 0 DEAERO C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300256 183352112 /nfs/dbraw/zinc/35/21/12/183352112.db2.gz VQZGDMUGKLTQRL-PWSUYJOCSA-N 1 0 318.236 2.144 10 0 DEAERO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCCC[C@@H]2CC)C1 ZINC000043305223 183353733 /nfs/dbraw/zinc/35/37/33/183353733.db2.gz NQUIJXCSGWBOSL-PMPSAXMXSA-N 1 0 324.465 2.441 10 0 DEAERO Ic1cccc(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043325232 183355393 /nfs/dbraw/zinc/35/53/93/183355393.db2.gz KFYUNMRFGWYFPN-LLVKDONJSA-N 1 0 302.159 2.455 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CCC[C@H](O)C1 ZINC000043091915 183335537 /nfs/dbraw/zinc/33/55/37/183335537.db2.gz KRERBYVZJVXGNS-MJVIPROJSA-N 1 0 313.239 2.294 10 0 DEAERO COCCN(C)[C@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043092706 183336073 /nfs/dbraw/zinc/33/60/73/183336073.db2.gz FVRLYWZOQFQDOU-GWCFXTLKSA-N 1 0 301.228 2.416 10 0 DEAERO C[NH2+]Cc1cc(Cl)c(OCCCC(=O)N(C)C)c(OC)c1 ZINC000043447998 183364126 /nfs/dbraw/zinc/36/41/26/183364126.db2.gz KLLMGDBMTJIMGH-UHFFFAOYSA-N 1 0 314.813 2.315 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)Nc1nc(C(C)C)cs1 ZINC000043601037 183375566 /nfs/dbraw/zinc/37/55/66/183375566.db2.gz KGDNQIWLNHXORQ-UHFFFAOYSA-N 1 0 314.455 2.356 10 0 DEAERO COC(=O)[C@H](C)Oc1ccc(Br)cc1C[C@@H](C)[NH3+] ZINC000043631350 183376399 /nfs/dbraw/zinc/37/63/99/183376399.db2.gz BPTGCVGRHSEFHF-BDAKNGLRSA-N 1 0 316.195 2.279 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](CCC(N)=S)CC(C)C ZINC000043418466 183360540 /nfs/dbraw/zinc/36/05/40/183360540.db2.gz MXJNLCRCPGXSKP-QWHCGFSZSA-N 1 0 301.500 2.314 10 0 DEAERO CC(C)CN(CCC[NH3+])S(=O)(=O)c1c(F)cc(F)cc1F ZINC000043416929 183360911 /nfs/dbraw/zinc/36/09/11/183360911.db2.gz NHNJHZCFLMGTSZ-UHFFFAOYSA-N 1 0 324.368 2.099 10 0 DEAERO C[C@H]1CCC[C@H](N(C)S(=O)(=O)c2ccc(CC[NH3+])cc2)C1 ZINC000044594533 183426416 /nfs/dbraw/zinc/42/64/16/183426416.db2.gz KXNDPNUESHAEEV-ZFWWWQNUSA-N 1 0 310.463 2.387 10 0 DEAERO CCOC(=O)c1csc(CC[NH2+]CC(C)(C)COC)n1 ZINC000494846564 249564366 /nfs/dbraw/zinc/56/43/66/249564366.db2.gz QMEZSZAESRZZDI-UHFFFAOYSA-N 1 0 300.424 2.125 10 0 DEAERO Cc1cc([C@@H](C)NS(=O)(=O)c2ccc(C[NH3+])cc2)c(C)o1 ZINC000044730978 183436530 /nfs/dbraw/zinc/43/65/30/183436530.db2.gz QRXQEXMRERCHGI-LLVKDONJSA-N 1 0 308.403 2.395 10 0 DEAERO CO[C@@H]1C[C@@H](CO)N(Cc2cc(F)cc(Br)c2)C1 ZINC000284625206 218105155 /nfs/dbraw/zinc/10/51/55/218105155.db2.gz NIIWJQQVSUKEQK-QWHCGFSZSA-N 1 0 318.186 2.170 10 0 DEAERO CC[C@H](C)N1C(=O)C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1=O ZINC000104929552 194053586 /nfs/dbraw/zinc/05/35/86/194053586.db2.gz BEGDNWSBYFEAGN-SMDDNHRTSA-N 1 0 308.809 2.398 10 0 DEAERO CC[C@@H](C)N1C(=O)C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1=O ZINC000104929550 194054106 /nfs/dbraw/zinc/05/41/06/194054106.db2.gz BEGDNWSBYFEAGN-BXUZGUMPSA-N 1 0 308.809 2.398 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000104983569 194060993 /nfs/dbraw/zinc/06/09/93/194060993.db2.gz ZNHCJDJIWREUGR-MRXNPFEDSA-N 1 0 316.405 2.347 10 0 DEAERO Cn1cc(C[N@@H+]2CCCN(c3cnc4ccccc4n3)CC2)cn1 ZINC000105792577 194129425 /nfs/dbraw/zinc/12/94/25/194129425.db2.gz KREQJFUWFSNNRL-UHFFFAOYSA-N 1 0 322.416 2.076 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805359 194133266 /nfs/dbraw/zinc/13/32/66/194133266.db2.gz MUQBKIZAFBITQJ-KBPBESRZSA-N 1 0 319.453 2.046 10 0 DEAERO COCC[N@@H+]1CCN(Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC000105832912 194141842 /nfs/dbraw/zinc/14/18/42/194141842.db2.gz JKNBVTIJSVCRFZ-OAHLLOKOSA-N 1 0 315.417 2.494 10 0 DEAERO CC[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2)CC[N@@H+]1CCOC ZINC000105835810 194142418 /nfs/dbraw/zinc/14/24/18/194142418.db2.gz OGGFRADGUWKQOB-RDJZCZTQSA-N 1 0 319.449 2.056 10 0 DEAERO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000105881481 194156313 /nfs/dbraw/zinc/15/63/13/194156313.db2.gz REKOPGSQAVFOLY-CQSZACIVSA-N 1 0 316.405 2.207 10 0 DEAERO COc1cc(C[NH3+])cc(Cl)c1OCC(=O)N[C@H](C)C(C)C ZINC000049307197 183724941 /nfs/dbraw/zinc/72/49/41/183724941.db2.gz JJBXFSBIKWNZNU-SNVBAGLBSA-N 1 0 314.813 2.347 10 0 DEAERO CC[NH2+]CCS(=O)(=O)Nc1ccccc1SC(F)F ZINC000049640811 183750338 /nfs/dbraw/zinc/75/03/38/183750338.db2.gz XZLYJYWMYVVMTA-UHFFFAOYSA-N 1 0 310.391 2.353 10 0 DEAERO CCNc1ccc(Cl)c(C(=O)N2CCC([NH+](C)C)CC2)n1 ZINC000050754629 183802557 /nfs/dbraw/zinc/80/25/57/183802557.db2.gz YGEVVWMIJAUIFG-UHFFFAOYSA-N 1 0 310.829 2.333 10 0 DEAERO Cn1cnnc1CC[NH2+]Cc1cc(Br)ccc1F ZINC000109420814 194262099 /nfs/dbraw/zinc/26/20/99/194262099.db2.gz YBILOLGFSNRWLI-UHFFFAOYSA-N 1 0 313.174 2.049 10 0 DEAERO Clc1ccc(-c2nc(CN3CC[NH2+]CC3)no2)cc1Cl ZINC000109473289 194268495 /nfs/dbraw/zinc/26/84/95/194268495.db2.gz TXNFRVZTCAVBEI-UHFFFAOYSA-N 1 0 313.188 2.449 10 0 DEAERO CC(C)[NH2+]CCCOc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000051872126 183839659 /nfs/dbraw/zinc/83/96/59/183839659.db2.gz BVUAJPCVNLQKGO-UHFFFAOYSA-N 1 0 307.362 2.450 10 0 DEAERO COc1cnn(C)c1[C@H]([NH3+])Cc1ccccc1Br ZINC000159334468 197346122 /nfs/dbraw/zinc/34/61/22/197346122.db2.gz DOHKGZDUWNFORQ-LLVKDONJSA-N 1 0 310.195 2.434 10 0 DEAERO CC[NH2+]C[C@H](CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000052950609 183881509 /nfs/dbraw/zinc/88/15/09/183881509.db2.gz OSSQRIGQRCYVOV-QWHCGFSZSA-N 1 0 316.492 2.045 10 0 DEAERO C[NH+](C)[C@@H]1CCN(c2nc(-c3ccccc3)c(CO)s2)C1 ZINC000110276167 194319289 /nfs/dbraw/zinc/31/92/89/194319289.db2.gz PUIOXMIZQVVDSC-CYBMUJFWSA-N 1 0 303.431 2.443 10 0 DEAERO Nc1cc(F)c(OC(F)F)cc1N1CC[NH+](C2CC2)CC1 ZINC000110638783 194344534 /nfs/dbraw/zinc/34/45/34/194344534.db2.gz PLFLLLZENRHAFQ-UHFFFAOYSA-N 1 0 301.312 2.294 10 0 DEAERO Cc1nn(CC[NH2+]C[C@@H]2CCCO2)c(C)c1Br ZINC000053535011 183905836 /nfs/dbraw/zinc/90/58/36/183905836.db2.gz CIUSHFRTRLEWMG-NSHDSACASA-N 1 0 302.216 2.031 10 0 DEAERO C[C@@H]1CN(c2ccc(C(N)=S)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000110755758 194356899 /nfs/dbraw/zinc/35/68/99/194356899.db2.gz LAEKDEWLMDWPSY-SECBINFHSA-N 1 0 317.380 2.480 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cc2c(cc1Cl)OCCO2 ZINC000054306483 183933059 /nfs/dbraw/zinc/93/30/59/183933059.db2.gz HMOHUJJHILACAA-SNVBAGLBSA-N 1 0 310.781 2.439 10 0 DEAERO Cc1csc(Cc2noc(-c3sc(C[NH3+])nc3C)n2)n1 ZINC000110791126 194359666 /nfs/dbraw/zinc/35/96/66/194359666.db2.gz YBZCEVLSQJLZEW-UHFFFAOYSA-N 1 0 307.404 2.316 10 0 DEAERO CCN(CC(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000110943902 194372278 /nfs/dbraw/zinc/37/22/78/194372278.db2.gz FRTHRUMLMOOSAG-GFCCVEGCSA-N 1 0 313.804 2.492 10 0 DEAERO NC(=S)Cc1nc2ccccc2n1CCC[NH+]1CCCC1 ZINC000110950812 194373046 /nfs/dbraw/zinc/37/30/46/194373046.db2.gz XXTUTBNNXRAYRW-UHFFFAOYSA-N 1 0 302.447 2.351 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](SCCS(C)(=O)=O)c1ccccc1OC ZINC000111004563 194380799 /nfs/dbraw/zinc/38/07/99/194380799.db2.gz ZOAVYFBQCDCAKE-OCCSQVGLSA-N 1 0 317.476 2.251 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](SCCS(C)(=O)=O)c1cccc(OC)c1 ZINC000111004588 194381201 /nfs/dbraw/zinc/38/12/01/194381201.db2.gz BPOSCRRIMHTOEC-KGLIPLIRSA-N 1 0 317.476 2.251 10 0 DEAERO C[C@@](O)(Cc1ccccc1Br)C[C@@H]1COCC[NH2+]1 ZINC000156802796 197142231 /nfs/dbraw/zinc/14/22/31/197142231.db2.gz MOLLLXGQRMEHAS-TZMCWYRMSA-N 1 0 314.223 2.121 10 0 DEAERO CCOCCN(CC)S(=O)(=O)c1cccc([C@H](C)[NH2+]C)c1 ZINC000111125611 194392953 /nfs/dbraw/zinc/39/29/53/194392953.db2.gz CGEKEFQBUSNEDK-ZDUSSCGKSA-N 1 0 314.451 2.014 10 0 DEAERO CN(CC1CCOCC1)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000111159914 194398091 /nfs/dbraw/zinc/39/80/91/194398091.db2.gz SNPAFLHBTWRZPN-CQSZACIVSA-N 1 0 302.340 2.462 10 0 DEAERO CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H]2CC(C)(C)C)CC1 ZINC000057863634 184058391 /nfs/dbraw/zinc/05/83/91/184058391.db2.gz FKGFUJBHICEHAV-INIZCTEOSA-N 1 0 323.481 2.014 10 0 DEAERO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000269023773 207172244 /nfs/dbraw/zinc/17/22/44/207172244.db2.gz QFZMRZDOWMZYRN-QMMMGPOBSA-N 1 0 303.175 2.202 10 0 DEAERO C[NH+](C)CCOC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000059313237 184136957 /nfs/dbraw/zinc/13/69/57/184136957.db2.gz KZRWGQYLVOQKHU-UHFFFAOYSA-N 1 0 302.330 2.250 10 0 DEAERO COc1ccc(C)cc1NC(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000061040948 184160168 /nfs/dbraw/zinc/16/01/68/184160168.db2.gz RWNYITPGUGICJP-UHFFFAOYSA-N 1 0 317.433 2.112 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000061232284 184166729 /nfs/dbraw/zinc/16/67/29/184166729.db2.gz JHBPZRGPJRRKTP-SNVBAGLBSA-N 1 0 311.813 2.226 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000061230527 184166911 /nfs/dbraw/zinc/16/69/11/184166911.db2.gz DHIYWAIVSXLSTE-SNVBAGLBSA-N 1 0 311.813 2.226 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000061290884 184167698 /nfs/dbraw/zinc/16/76/98/184167698.db2.gz OJMVZXBVLYCSLI-UHFFFAOYSA-N 1 0 318.826 2.070 10 0 DEAERO CCCOc1nc(Cl)nc(N[C@@H](C[NH+](C)C)C(C)C)n1 ZINC000061539285 184173522 /nfs/dbraw/zinc/17/35/22/184173522.db2.gz AXGXYIIYVJWHRA-JTQLQIEISA-N 1 0 301.822 2.312 10 0 DEAERO CCCn1c(Sc2ccc(Cl)cc2C(N)=[NH2+])n[nH]c1=O ZINC000061595658 184176490 /nfs/dbraw/zinc/17/64/90/184176490.db2.gz RRGYZWVSRLKKLK-UHFFFAOYSA-N 1 0 311.798 2.070 10 0 DEAERO Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604952 184177475 /nfs/dbraw/zinc/17/74/75/184177475.db2.gz DNWJUGWYVFKWOE-VOTSOKGWSA-N 1 0 322.840 2.092 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CC[C@H](O)C1 ZINC000061710037 184184945 /nfs/dbraw/zinc/18/49/45/184184945.db2.gz UWRVODSXJLCLLH-MELADBBJSA-N 1 0 313.239 2.294 10 0 DEAERO CN(CCC(N)=S)C(=O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000061820032 184188322 /nfs/dbraw/zinc/18/83/22/184188322.db2.gz JAMHYJVMPAQBRB-UHFFFAOYSA-N 1 0 311.495 2.167 10 0 DEAERO C[NH2+]C[C@H](CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000061817198 184188326 /nfs/dbraw/zinc/18/83/26/184188326.db2.gz MPSJEWOFYULQCC-GJZGRUSLSA-N 1 0 311.447 2.116 10 0 DEAERO C[NH2+][C@H]1CCCCCC[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941059 184197329 /nfs/dbraw/zinc/19/73/29/184197329.db2.gz VPXSVRRENGBUEJ-KBPBESRZSA-N 1 0 307.404 2.477 10 0 DEAERO C[NH2+][C@H](C)c1cnc(N2CCN(CC(F)(F)F)CC2)s1 ZINC000061948522 184197733 /nfs/dbraw/zinc/19/77/33/184197733.db2.gz YGGNFPKZBYKQAN-SECBINFHSA-N 1 0 308.373 2.108 10 0 DEAERO CC[C@](C)(C[NH2+]C1CC1)CN1CCN(CC(F)(F)F)CC1 ZINC000061947594 184198007 /nfs/dbraw/zinc/19/80/07/184198007.db2.gz ODPQILZLJAOMJN-CQSZACIVSA-N 1 0 307.404 2.335 10 0 DEAERO CC[C@@](C)(C[NH2+]C1CC1)CN1CCN(CC(F)(F)F)CC1 ZINC000061947593 184198066 /nfs/dbraw/zinc/19/80/66/184198066.db2.gz ODPQILZLJAOMJN-AWEZNQCLSA-N 1 0 307.404 2.335 10 0 DEAERO C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000062010841 184201083 /nfs/dbraw/zinc/20/10/83/184201083.db2.gz VBGZKCKIXJSJTK-FZMZJTMJSA-N 1 0 316.854 2.415 10 0 DEAERO C[C@@H](c1cccc(Cl)c1)N(C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014483 184201266 /nfs/dbraw/zinc/20/12/66/184201266.db2.gz NLGJTYCCKDIKST-ZDUSSCGKSA-N 1 0 309.841 2.155 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCNC(=O)CC1 ZINC000062099440 184205792 /nfs/dbraw/zinc/20/57/92/184205792.db2.gz ZFHUNXLGFLCSIL-ZANVPECISA-N 1 0 301.843 2.002 10 0 DEAERO Brc1cccc(Cc2noc([C@@H]3CC[NH2+]C3)n2)c1 ZINC000062119666 184206948 /nfs/dbraw/zinc/20/69/48/184206948.db2.gz BVWIACPUTZHYIK-SNVBAGLBSA-N 1 0 308.179 2.500 10 0 DEAERO CC(C)OC(=O)COc1ccc(CC[NH3+])cc1Br ZINC000062703912 184248663 /nfs/dbraw/zinc/24/86/63/184248663.db2.gz FEUVEPOYDXDTMM-UHFFFAOYSA-N 1 0 316.195 2.281 10 0 DEAERO CCOC(=O)[C@H](C)Oc1ccc(CC[NH3+])cc1Br ZINC000062703894 184248951 /nfs/dbraw/zinc/24/89/51/184248951.db2.gz KELZOYXSOMJTBL-VIFPVBQESA-N 1 0 316.195 2.281 10 0 DEAERO CC[C@@H](O)COc1c(Cl)cc(C[NH2+]CCOC)cc1OC ZINC000062727883 184250799 /nfs/dbraw/zinc/25/07/99/184250799.db2.gz QDXPKPQDTMRFRA-GFCCVEGCSA-N 1 0 317.813 2.234 10 0 DEAERO CC(C)(C)[NH2+]Cc1ccc(OCC(N)=O)c(Br)c1 ZINC000062727924 184250953 /nfs/dbraw/zinc/25/09/53/184250953.db2.gz UMEXAVFRNDELGD-UHFFFAOYSA-N 1 0 315.211 2.201 10 0 DEAERO COCC[NH2+]Cc1c(N2CCC(C)CC2)nc2sccn12 ZINC000062734050 184251292 /nfs/dbraw/zinc/25/12/92/184251292.db2.gz LGNDNXSRAOFPTJ-UHFFFAOYSA-N 1 0 308.451 2.368 10 0 DEAERO CCC1(C)CCN(S(=O)(=O)CCC2CC[NH2+]CC2)CC1 ZINC000062959661 184262296 /nfs/dbraw/zinc/26/22/96/184262296.db2.gz TWUGSZXUYSTIED-UHFFFAOYSA-N 1 0 302.484 2.218 10 0 DEAERO C[C@H](c1nc(-c2ccc(F)c(Cl)c2)no1)N1CC[NH2+]CC1 ZINC000062790823 184253242 /nfs/dbraw/zinc/25/32/42/184253242.db2.gz NQMJPIHPOGMIPJ-SECBINFHSA-N 1 0 310.760 2.495 10 0 DEAERO C[C@]1(C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)CCC[NH2+]C1 ZINC000062855134 184256423 /nfs/dbraw/zinc/25/64/23/184256423.db2.gz WKBDQNOXGUWIRT-HNNXBMFYSA-N 1 0 307.781 2.163 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000062960075 184262586 /nfs/dbraw/zinc/26/25/86/184262586.db2.gz PGPHHLBIWRXOMX-AWEZNQCLSA-N 1 0 302.484 2.361 10 0 DEAERO CCCNC(=O)COc1ccc(C[NH2+]C)cc1Br ZINC000062700980 184247644 /nfs/dbraw/zinc/24/76/44/184247644.db2.gz CLTLXGZDHWZRPC-UHFFFAOYSA-N 1 0 315.211 2.074 10 0 DEAERO C[NH2+]Cc1ccc(O[C@H]2CCC[C@H]2O)c(Br)c1 ZINC000062700836 184247687 /nfs/dbraw/zinc/24/76/87/184247687.db2.gz QALHRGDOBHRYIF-YPMHNXCESA-N 1 0 300.196 2.461 10 0 DEAERO Oc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1Br ZINC000062702794 184247901 /nfs/dbraw/zinc/24/79/01/184247901.db2.gz VYXMNPLWNONCLB-NSHDSACASA-N 1 0 311.223 2.481 10 0 DEAERO Oc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1Br ZINC000062702793 184248043 /nfs/dbraw/zinc/24/80/43/184248043.db2.gz VYXMNPLWNONCLB-LLVKDONJSA-N 1 0 311.223 2.481 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000063213456 184278333 /nfs/dbraw/zinc/27/83/33/184278333.db2.gz VAIOYIGRYXMMTH-QWHCGFSZSA-N 1 0 300.399 2.072 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1cc(Br)c[nH]1 ZINC000063211103 184278501 /nfs/dbraw/zinc/27/85/01/184278501.db2.gz MBDKKFJFUKMSEB-NXEZZACHSA-N 1 0 300.200 2.167 10 0 DEAERO C[NH+](C)[C@H]1CCN(CC(=O)c2ccccc2Br)C1 ZINC000062966601 184263124 /nfs/dbraw/zinc/26/31/24/184263124.db2.gz ABGXGWKGLQAVHW-NSHDSACASA-N 1 0 311.223 2.268 10 0 DEAERO CC[NH2+]Cc1ccc(OCCCS(C)(=O)=O)c(Cl)c1 ZINC000063014437 184266563 /nfs/dbraw/zinc/26/65/63/184266563.db2.gz JPVZFEGYIBDMRD-UHFFFAOYSA-N 1 0 305.827 2.263 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)Cc1cc(F)cc(F)c1 ZINC000063017111 184266897 /nfs/dbraw/zinc/26/68/97/184266897.db2.gz OJYLMXLWXRHYRV-CQSZACIVSA-N 1 0 305.390 2.310 10 0 DEAERO CC[NH2+][C@H](C)c1cccc(NS(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000063155736 184274874 /nfs/dbraw/zinc/27/48/74/184274874.db2.gz MAGVGVCDXKTYGX-DOMZBBRYSA-N 1 0 312.435 2.278 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000063168103 184275708 /nfs/dbraw/zinc/27/57/08/184275708.db2.gz HWRXZDVCBKWQQH-LLVKDONJSA-N 1 0 320.817 2.242 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(Br)o1 ZINC000063167743 184275810 /nfs/dbraw/zinc/27/58/10/184275810.db2.gz GCXFQYSBNNRGAZ-VIFPVBQESA-N 1 0 301.184 2.256 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1CC(=O)NCc1ccc(Cl)cc1 ZINC000063168867 184275836 /nfs/dbraw/zinc/27/58/36/184275836.db2.gz HSUPMBFVYVVJEJ-OAHLLOKOSA-N 1 0 309.841 2.030 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000063175997 184276597 /nfs/dbraw/zinc/27/65/97/184276597.db2.gz OQSCRXDDVQMHTA-WDSKDSINSA-N 1 0 315.247 2.213 10 0 DEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 ZINC000066068230 184386263 /nfs/dbraw/zinc/38/62/63/184386263.db2.gz KHMKKCADZZUXQW-CYBMUJFWSA-N 1 0 305.422 2.034 10 0 DEAERO CCC[NH2+][C@](C)(C[C@H](C)N(CC(F)(F)F)C(C)C)C(N)=O ZINC000068629153 184494498 /nfs/dbraw/zinc/49/44/98/184494498.db2.gz FVRACCGMNSPKBX-WCQYABFASA-N 1 0 311.392 2.281 10 0 DEAERO C[C@@H](C[C@@](C)([NH3+])C(N)=O)Sc1ccc(C(F)(F)F)cn1 ZINC000068635525 184494635 /nfs/dbraw/zinc/49/46/35/184494635.db2.gz HYGTYIHRABVANL-WRWORJQWSA-N 1 0 307.341 2.174 10 0 DEAERO CCC[NH2+]Cc1cc(OC)ccc1OC[C@H](O)C(F)(F)F ZINC000068875821 184498615 /nfs/dbraw/zinc/49/86/15/184498615.db2.gz KOVJOEINVQAQIH-ZDUSSCGKSA-N 1 0 307.312 2.497 10 0 DEAERO O=C1[C@@H]([NH2+][C@@H]2CCCc3ccccc32)CCN1C1CCOCC1 ZINC000358190444 284980372 /nfs/dbraw/zinc/98/03/72/284980372.db2.gz NXMMTRVINIUMAN-MSOLQXFVSA-N 1 0 314.429 2.434 10 0 DEAERO COCCOc1cccc(CNC(=O)C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000114474019 194662768 /nfs/dbraw/zinc/66/27/68/194662768.db2.gz LOUBSLKAVUIWFT-CQSZACIVSA-N 1 0 322.449 2.352 10 0 DEAERO Cc1ccn(-c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2)n1 ZINC000538315966 285031348 /nfs/dbraw/zinc/03/13/48/285031348.db2.gz OYRCYDGVFJCNRW-UHFFFAOYSA-N 1 0 300.406 2.204 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Cc1coc(-c2cccs2)n1 ZINC000538315628 285031456 /nfs/dbraw/zinc/03/14/56/285031456.db2.gz KSWJMWMTVQDNCK-UHFFFAOYSA-N 1 0 307.419 2.356 10 0 DEAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)cc1 ZINC000119672600 195014487 /nfs/dbraw/zinc/01/44/87/195014487.db2.gz RACQJEMCEBMHAU-RYUDHWBXSA-N 1 0 303.406 2.276 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cnn(C)c1 ZINC000119967986 195071966 /nfs/dbraw/zinc/07/19/66/195071966.db2.gz WQEGHWMUNACSAU-DGCLKSJQSA-N 1 0 305.813 2.398 10 0 DEAERO c1nc(N2CCCC2)ncc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000538790547 285056103 /nfs/dbraw/zinc/05/61/03/285056103.db2.gz ITIOLBNPVZJFOV-HOTGVXAUSA-N 1 0 302.422 2.078 10 0 DEAERO COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000120070329 195090807 /nfs/dbraw/zinc/09/08/07/195090807.db2.gz IQXGIIKXPPRHPU-BBRMVZONSA-N 1 0 309.406 2.319 10 0 DEAERO COC[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000120123455 195100481 /nfs/dbraw/zinc/10/04/81/195100481.db2.gz NIVDRVNXYSMYNO-HOTGVXAUSA-N 1 0 309.454 2.071 10 0 DEAERO CN1CCC[C@H]([N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)C1=O ZINC000539808526 285093628 /nfs/dbraw/zinc/09/36/28/285093628.db2.gz BSJUXOIXGAOOCO-KBPBESRZSA-N 1 0 310.438 2.051 10 0 DEAERO [NH3+][C@H](c1cc(F)cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000159215513 197337363 /nfs/dbraw/zinc/33/73/63/197337363.db2.gz KLFZBSYOXQUJBR-HQJQHLMTSA-N 1 0 311.300 2.279 10 0 DEAERO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cn[nH]c1 ZINC000270398554 208478419 /nfs/dbraw/zinc/47/84/19/208478419.db2.gz YWEBAKJZEMMFIK-DZGCQCFKSA-N 1 0 305.426 2.131 10 0 DEAERO COCCOCCCC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000159113856 197328052 /nfs/dbraw/zinc/32/80/52/197328052.db2.gz IYZXDMJONXIPKQ-AWEZNQCLSA-N 1 0 303.349 2.031 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1ccccc1OC(F)(F)F ZINC000159103242 197327375 /nfs/dbraw/zinc/32/73/75/197327375.db2.gz RKHJMSSCIKMQCF-SECBINFHSA-N 1 0 306.284 2.278 10 0 DEAERO Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)nn1C(C)(C)C ZINC000159071689 197324889 /nfs/dbraw/zinc/32/48/89/197324889.db2.gz MURWMMXXBXNGMB-WFASDCNBSA-N 1 0 306.454 2.405 10 0 DEAERO COc1ccc(NC(=O)C[C@@H](C)C[NH3+])cc1Br ZINC000158930931 197312339 /nfs/dbraw/zinc/31/23/39/197312339.db2.gz SGBQGULRXDDEOK-MRVPVSSYSA-N 1 0 301.184 2.381 10 0 DEAERO CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C1C[NH2+]C1 ZINC000159011276 197318670 /nfs/dbraw/zinc/31/86/70/197318670.db2.gz KDMYOAMEYOHMNW-UHFFFAOYSA-N 1 0 303.284 2.411 10 0 DEAERO C[NH+]1CCC(CCNC(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000158975459 197315786 /nfs/dbraw/zinc/31/57/86/197315786.db2.gz HTZYIXLJMBUJIR-UHFFFAOYSA-N 1 0 319.453 2.031 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Nc1cc(C)c(Br)cn1 ZINC000158970593 197315263 /nfs/dbraw/zinc/31/52/63/197315263.db2.gz PYVNEKUBCVWRQY-SECBINFHSA-N 1 0 300.200 2.466 10 0 DEAERO O=C1NCCCC[C@@H]1[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000120227475 195123111 /nfs/dbraw/zinc/12/31/11/195123111.db2.gz CTJADFWWYUAEPX-SFHVURJKSA-N 1 0 316.445 2.379 10 0 DEAERO Cc1ccc([C@@H](C[NH3+])N(C)[C@@H]2CCOC2)c(Br)c1 ZINC000158646173 197290953 /nfs/dbraw/zinc/29/09/53/197290953.db2.gz IYJJTERMEXUWJV-BXUZGUMPSA-N 1 0 313.239 2.478 10 0 DEAERO CC1(C)C[N@H+](C[C@@H](O)c2ccc(C(N)=S)cc2)CCS1 ZINC000158782950 197301289 /nfs/dbraw/zinc/30/12/89/197301289.db2.gz ZKCBRNHVIARBDI-CYBMUJFWSA-N 1 0 310.488 2.182 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc(C[NH3+])c1F ZINC000158761708 197299489 /nfs/dbraw/zinc/29/94/89/197299489.db2.gz ZNGGSEMMSBQQJE-RYUDHWBXSA-N 1 0 312.410 2.013 10 0 DEAERO [NH3+]C[C@H](c1cccc(Br)c1)[C@H](O)c1ncccn1 ZINC000158514479 197280986 /nfs/dbraw/zinc/28/09/86/197280986.db2.gz OHXYZCZBHCTAIF-NEPJUHHUSA-N 1 0 308.179 2.015 10 0 DEAERO COc1cnn(C)c1[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000158398238 197269157 /nfs/dbraw/zinc/26/91/57/197269157.db2.gz VDFBYHZYBQCRDN-LLVKDONJSA-N 1 0 310.195 2.434 10 0 DEAERO CCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000158306367 197261077 /nfs/dbraw/zinc/26/10/77/197261077.db2.gz IDBZOSKGBVRMMF-AWEZNQCLSA-N 1 0 312.479 2.475 10 0 DEAERO CCOC(=O)c1c(NC(=O)C[C@@H](C)C[NH3+])sc2c1CCC2 ZINC000158243870 197256334 /nfs/dbraw/zinc/25/63/34/197256334.db2.gz ZIIHHHOITUWUTK-SECBINFHSA-N 1 0 310.419 2.337 10 0 DEAERO C[C@@H]1OCC[C@H]1[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1N ZINC000158178476 197250371 /nfs/dbraw/zinc/25/03/71/197250371.db2.gz UDFIYVUDGMLDIU-IINYFYTJSA-N 1 0 311.813 2.360 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(F)c(Br)c1 ZINC000157915250 197226784 /nfs/dbraw/zinc/22/67/84/197226784.db2.gz ZIDVYZGSJVWYBM-CBAPKCEASA-N 1 0 301.159 2.382 10 0 DEAERO CNC(=O)[C@@H](CC(C)C)[NH2+]Cc1cncc(Br)c1 ZINC000157878384 197223509 /nfs/dbraw/zinc/22/35/09/197223509.db2.gz USMZWCABGXQGRR-GFCCVEGCSA-N 1 0 314.227 2.094 10 0 DEAERO CCOCCN(C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000157720784 197210254 /nfs/dbraw/zinc/21/02/54/197210254.db2.gz VHPWGBSVSUSVIU-CYBMUJFWSA-N 1 0 301.228 2.417 10 0 DEAERO CCCn1ncc(Br)c1[C@@H](O)C(C)(C)[NH+](C)C ZINC000157586369 197200178 /nfs/dbraw/zinc/20/01/78/197200178.db2.gz MDUWLJVDVLLATI-LLVKDONJSA-N 1 0 304.232 2.429 10 0 DEAERO CC(C)(C)[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000157626154 197203038 /nfs/dbraw/zinc/20/30/38/197203038.db2.gz ZIEVCKJCRRPLAV-AWEZNQCLSA-N 1 0 309.841 2.362 10 0 DEAERO [NH3+][C@@H]1C[C@H](N2CCN(c3nccs3)CC2)c2ccccc21 ZINC000157502717 197192265 /nfs/dbraw/zinc/19/22/65/197192265.db2.gz UJKFWYULYACIRV-CABCVRRESA-N 1 0 300.431 2.410 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000157288508 197177111 /nfs/dbraw/zinc/17/71/11/197177111.db2.gz ABIIFCIQCCQKHZ-ZFWWWQNUSA-N 1 0 305.422 2.192 10 0 DEAERO CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000157293953 197177161 /nfs/dbraw/zinc/17/71/61/197177161.db2.gz XTHMJGXGVURWCJ-HNNXBMFYSA-N 1 0 305.422 2.067 10 0 DEAERO Cc1cc(OCC[NH2+]CCN(C)C)ccc1Br ZINC000157258379 197174690 /nfs/dbraw/zinc/17/46/90/197174690.db2.gz LOHUGKHJNYRPNN-UHFFFAOYSA-N 1 0 301.228 2.288 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2ccccc2O)C1 ZINC000157031029 197156222 /nfs/dbraw/zinc/15/62/22/197156222.db2.gz FRTLLIUUAKMIIG-CVEARBPZSA-N 1 0 302.418 2.268 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@]1(O)C1(C[NH3+])CCCCCCC1 ZINC000156881175 197147583 /nfs/dbraw/zinc/14/75/83/197147583.db2.gz VBOZPCKRXKIFLJ-DZGCQCFKSA-N 1 0 303.468 2.004 10 0 DEAERO CCC[C@@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)[NH+](C)C ZINC000156845677 197144644 /nfs/dbraw/zinc/14/46/44/197144644.db2.gz KVAUUHYSCTYERP-HNNXBMFYSA-N 1 0 303.406 2.248 10 0 DEAERO CC(C)[C@@H]([NH3+])CCN(C)c1ccccc1S(=O)(=O)C(F)F ZINC000156788534 197140686 /nfs/dbraw/zinc/14/06/86/197140686.db2.gz UYBKAHMLJQWAQS-NSHDSACASA-N 1 0 320.405 2.493 10 0 DEAERO OC1(COc2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000156580445 197124789 /nfs/dbraw/zinc/12/47/89/197124789.db2.gz DUGASAYHIOHRDK-UHFFFAOYSA-N 1 0 304.159 2.082 10 0 DEAERO CN(C)c1nc(CN2CC[NH+](CC3CCCCC3)CC2)ns1 ZINC000156387887 197109579 /nfs/dbraw/zinc/10/95/79/197109579.db2.gz PCSSDOUNBFUSCW-UHFFFAOYSA-N 1 0 323.510 2.302 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000156258267 197099442 /nfs/dbraw/zinc/09/94/42/197099442.db2.gz CXTZBUGMFHYFFY-ZJUUUORDSA-N 1 0 322.352 2.296 10 0 DEAERO CN(C(=O)c1cccc(F)c1Br)[C@H]1CC[NH2+]C1 ZINC000155988905 197079204 /nfs/dbraw/zinc/07/92/04/197079204.db2.gz LKCFUEBSEVSHEK-QMMMGPOBSA-N 1 0 301.159 2.022 10 0 DEAERO O=C(NC1CC[NH2+]CC1)c1cccc(F)c1Br ZINC000155972950 197077935 /nfs/dbraw/zinc/07/79/35/197077935.db2.gz DVMFGEUEPGSSFF-UHFFFAOYSA-N 1 0 301.159 2.070 10 0 DEAERO [NH3+]C1CCN(C(=O)c2cccc(F)c2Br)CC1 ZINC000155968069 197077818 /nfs/dbraw/zinc/07/78/18/197077818.db2.gz VGXXKBCQELIFGN-UHFFFAOYSA-N 1 0 301.159 2.152 10 0 DEAERO CC(C)[C@](C)(C[NH3+])NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000155966828 197077070 /nfs/dbraw/zinc/07/70/70/197077070.db2.gz CAFUPEIMXRZCFW-INIZCTEOSA-N 1 0 310.463 2.217 10 0 DEAERO COc1ccc(CCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155452252 197056455 /nfs/dbraw/zinc/05/64/55/197056455.db2.gz QALSTHUXNKYBHQ-YOEHRIQHSA-N 1 0 304.434 2.473 10 0 DEAERO OCC1([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000120361040 195150668 /nfs/dbraw/zinc/15/06/68/195150668.db2.gz IVIROFCXKCCAOS-UHFFFAOYSA-N 1 0 310.191 2.339 10 0 DEAERO COC(=O)[C@@H](C)[C@H]([NH2+]CCC(=O)NC(C)C)c1ccccc1 ZINC000152095454 196771761 /nfs/dbraw/zinc/77/17/61/196771761.db2.gz HZPHAGUGZQODFR-BBRMVZONSA-N 1 0 306.406 2.041 10 0 DEAERO C[C@H]([NH2+]CCc1cn[nH]c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000289612226 221102687 /nfs/dbraw/zinc/10/26/87/221102687.db2.gz DDTDENZWARNHHN-JSGCOSHPSA-N 1 0 308.426 2.187 10 0 DEAERO Brc1ccn2cc(C[NH2+][C@@H]3CCCOC3)nc2c1 ZINC000289658944 221135563 /nfs/dbraw/zinc/13/55/63/221135563.db2.gz YVRRXVPSCWEHAL-LLVKDONJSA-N 1 0 310.195 2.365 10 0 DEAERO Cc1noc([C@@H]2C[C@@H]3OCC[C@@H]3[N@H+](Cc3c(C)noc3C)C2)n1 ZINC000248029773 257110927 /nfs/dbraw/zinc/11/09/27/257110927.db2.gz OWQSDYFILQOAHB-SNPRPXQTSA-N 1 0 318.377 2.130 10 0 DEAERO Cc1occc1C(=O)N1CC[C@@]2(C1)C[C@H]([NH+]1CCCC1)CCO2 ZINC000247996554 257112136 /nfs/dbraw/zinc/11/21/36/257112136.db2.gz DAEVYKWWLNVQLZ-QAPCUYQASA-N 1 0 318.417 2.448 10 0 DEAERO Cc1ccsc1C[N@H+]1CCOC[C@@H](CC(=O)N(C)C)[C@@H]1C ZINC000247997815 257112252 /nfs/dbraw/zinc/11/22/52/257112252.db2.gz MYKGXELWCOLFOF-UONOGXRCSA-N 1 0 310.463 2.372 10 0 DEAERO O=C(c1cccs1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCOCC1 ZINC000247830027 257117336 /nfs/dbraw/zinc/11/73/36/257117336.db2.gz KMUPNVPWPUWTJF-CABCVRRESA-N 1 0 320.458 2.464 10 0 DEAERO Fc1cnc(N2CCO[C@@H]3C[N@H+](CC4CCCCC4)C[C@@H]32)nc1 ZINC000253614727 257104251 /nfs/dbraw/zinc/10/42/51/257104251.db2.gz VYNYFEXQXHBWHW-JKSUJKDBSA-N 1 0 320.412 2.085 10 0 DEAERO CO[C@@H]1CCN(Cc2nc(C)cs2)[C@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000503720883 257208008 /nfs/dbraw/zinc/20/80/08/257208008.db2.gz WQFHZTGYKHVSTK-HRCADAONSA-N 1 0 321.490 2.383 10 0 DEAERO Fc1cccc(CN2C[C@@H]3C[NH+](C[C@@H]4CCOC4)C[C@H]3C2)c1 ZINC000503718048 257208363 /nfs/dbraw/zinc/20/83/63/257208363.db2.gz WDBOVLFGDAPXCF-GVDBMIGSSA-N 1 0 304.409 2.226 10 0 DEAERO CC[NH+](CC)[C@@H]1CCO[C@]2(CCN(c3ncc(F)cn3)C2)C1 ZINC000503715756 257209349 /nfs/dbraw/zinc/20/93/49/257209349.db2.gz ASYWZJWGNDAVCL-GDBMZVCRSA-N 1 0 308.401 2.085 10 0 DEAERO COc1c(F)cc(F)cc1NC(=O)N(C)CCC[NH+](C)C ZINC000544573880 285361007 /nfs/dbraw/zinc/36/10/07/285361007.db2.gz AEVUZZIJHVUEHM-UHFFFAOYSA-N 1 0 301.337 2.389 10 0 DEAERO CNC(=O)CN1CCC([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000121801327 195350150 /nfs/dbraw/zinc/35/01/50/195350150.db2.gz ZXHDUKNUMQEKEC-HZPDHXFCSA-N 1 0 309.498 2.391 10 0 DEAERO COCc1ccccc1Nc1nc(NN)[nH+]cc1Br ZINC000123019136 195533883 /nfs/dbraw/zinc/53/38/83/195533883.db2.gz VFNICFOUIKSLLN-UHFFFAOYSA-N 1 0 324.182 2.415 10 0 DEAERO CC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000123318352 195567715 /nfs/dbraw/zinc/56/77/15/195567715.db2.gz JBSDJQUIWASWGR-GOEBONIOSA-N 1 0 320.433 2.219 10 0 DEAERO Cc1c(C(F)(F)F)cccc1S(=O)(=O)NC1(C[NH3+])CCC1 ZINC000123381152 195575010 /nfs/dbraw/zinc/57/50/10/195575010.db2.gz NEPDVQRQXNVSTC-UHFFFAOYSA-N 1 0 322.352 2.174 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)[C@H](C)C1 ZINC000246374498 285388832 /nfs/dbraw/zinc/38/88/32/285388832.db2.gz HUILIQZPXDNSOH-MTSZKFMLSA-N 1 0 323.481 2.316 10 0 DEAERO CCOc1cc(C[NH3+])cc(Br)c1OC[C@H](C)CO ZINC000128017854 195928958 /nfs/dbraw/zinc/92/89/58/195928958.db2.gz BVIKELTXMHISKN-SECBINFHSA-N 1 0 318.211 2.314 10 0 DEAERO Cn1cc(CC[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000340229577 131234781 /nfs/dbraw/zinc/23/47/81/131234781.db2.gz DNSGBEVBJDGGJB-CJNGLKHVSA-N 1 0 307.344 2.049 10 0 DEAERO Cn1cc(CC[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000340229578 131234877 /nfs/dbraw/zinc/23/48/77/131234877.db2.gz DNSGBEVBJDGGJB-CZUORRHYSA-N 1 0 307.344 2.049 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000366650603 131285282 /nfs/dbraw/zinc/28/52/82/131285282.db2.gz GAAVQCYEGSQMDB-IAGOWNOFSA-N 1 0 323.481 2.176 10 0 DEAERO c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000262043440 285506642 /nfs/dbraw/zinc/50/66/42/285506642.db2.gz YTQBGYDSKSHALC-QXCFHYIPSA-N 1 0 300.446 2.463 10 0 DEAERO O=C(c1ncoc1-c1ccccc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195266718 132545886 /nfs/dbraw/zinc/54/58/86/132545886.db2.gz QMANFVBJKWECAI-PHIMTYICSA-N 1 0 317.776 2.286 10 0 DEAERO O=C(C[NH2+][C@@H]1CCc2c1cccc2Br)NC1CC1 ZINC000232467242 132553834 /nfs/dbraw/zinc/55/38/34/132553834.db2.gz ZIQYTUBVOQOITC-CYBMUJFWSA-N 1 0 309.207 2.305 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725243962 542770217 /nfs/dbraw/zinc/77/02/17/542770217.db2.gz BUVGPYGKTYFGAZ-MRXNPFEDSA-N 1 0 314.426 2.304 10 0 DEAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2cn[nH]c2)C1 ZINC000357775117 133099185 /nfs/dbraw/zinc/09/91/85/133099185.db2.gz WKVGTSGFXXTQHN-CQSZACIVSA-N 1 0 321.469 2.152 10 0 DEAERO Cc1ccc2[nH]c(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)nc2c1 ZINC000357982053 133113511 /nfs/dbraw/zinc/11/35/11/133113511.db2.gz GWQMPAGONGGVCX-ZDUSSCGKSA-N 1 0 317.437 2.399 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000362235380 133218943 /nfs/dbraw/zinc/21/89/43/133218943.db2.gz KMMBHCKRMJESEH-KGLIPLIRSA-N 1 0 304.390 2.018 10 0 DEAERO Cc1cc(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)on1 ZINC000368609414 133281062 /nfs/dbraw/zinc/28/10/62/133281062.db2.gz YDFAZZPXFVMONH-KSSFIOAISA-N 1 0 314.433 2.421 10 0 DEAERO 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DEAERO CC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1nc(C)cs1 ZINC000247649666 145142793 /nfs/dbraw/zinc/14/27/93/145142793.db2.gz WFJJNDOUPUTPRQ-QWHCGFSZSA-N 1 0 308.451 2.392 10 0 DEAERO Cc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247966205 145145583 /nfs/dbraw/zinc/14/55/83/145145583.db2.gz GUPXRNQTGQKDAV-DOTOQJQBSA-N 1 0 301.434 2.350 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248333920 145151034 /nfs/dbraw/zinc/15/10/34/145151034.db2.gz FXQVSYDOPBGUBA-MWIANEHASA-N 1 0 313.445 2.454 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)c1nccs1 ZINC000248553730 145158406 /nfs/dbraw/zinc/15/84/06/145158406.db2.gz HOMWXXRQEMWRFJ-QWHCGFSZSA-N 1 0 310.467 2.372 10 0 DEAERO CC[C@@H]1CN(CCCc2ccccc2OC)CC[N@@H+]1C[C@H](C)O ZINC000248588785 145160122 /nfs/dbraw/zinc/16/01/22/145160122.db2.gz RJNVQVSKRYUOEF-FUHWJXTLSA-N 1 0 320.477 2.405 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C)CC2 ZINC000248814148 145168614 /nfs/dbraw/zinc/16/86/14/145168614.db2.gz KUIOZGQHQFRLQQ-HZSPNIEDSA-N 1 0 306.454 2.337 10 0 DEAERO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000248862407 145170887 /nfs/dbraw/zinc/17/08/87/145170887.db2.gz WHGWVCOTIXPIIR-IVSAIRAKSA-N 1 0 304.434 2.452 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCSCC1 ZINC000248884911 145172183 /nfs/dbraw/zinc/17/21/83/145172183.db2.gz SAANZHUZBHYYBD-GDBMZVCRSA-N 1 0 319.474 2.265 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1cccc(O)c1 ZINC000249084313 145178000 /nfs/dbraw/zinc/17/80/00/145178000.db2.gz RNMRLKQYFOJWFZ-USQNJUIBSA-N 1 0 300.402 2.491 10 0 DEAERO C[C@@H]1COCCN1CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000249097564 145178214 /nfs/dbraw/zinc/17/82/14/145178214.db2.gz VTEKTHSYECSPHC-BHIYHBOVSA-N 1 0 318.461 2.295 10 0 DEAERO CC(C)[C@@H]1C[C@H]1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000249366312 145182832 /nfs/dbraw/zinc/18/28/32/145182832.db2.gz VDEDDYISDXWPFJ-XWTMOSNGSA-N 1 0 321.509 2.296 10 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/nfs/dbraw/zinc/20/93/01/145209301.db2.gz AMKTVQRZNRSKDP-QGZVFWFLSA-N 1 0 301.365 2.246 10 0 DEAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000261608677 145209723 /nfs/dbraw/zinc/20/97/23/145209723.db2.gz AJCHGGIABSQGEN-RYUDHWBXSA-N 1 0 318.808 2.335 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000261620932 145210882 /nfs/dbraw/zinc/21/08/82/145210882.db2.gz AVTWSQLUOZUNTG-IUODEOHRSA-N 1 0 301.390 2.349 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)Cc1ccc2c(c1)CCO2 ZINC000261657842 145214283 /nfs/dbraw/zinc/21/42/83/145214283.db2.gz DWMVZIFKIZYPKB-UHFFFAOYSA-N 1 0 324.424 2.194 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(CCc2cc(OC)ccc2OC)n1 ZINC000261664505 145215127 /nfs/dbraw/zinc/21/51/27/145215127.db2.gz FVYMMZTWFUTGFU-LLVKDONJSA-N 1 0 305.378 2.022 10 0 DEAERO C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261682768 145216101 /nfs/dbraw/zinc/21/61/01/145216101.db2.gz HBXODCGIKPOYPR-YGRLFVJLSA-N 1 0 311.376 2.351 10 0 DEAERO O=C(NC1CCN(c2ccccn2)CC1)c1ccc2c(c1)C[NH2+]C2 ZINC000261684355 145216266 /nfs/dbraw/zinc/21/62/66/145216266.db2.gz NBQVQLDAQXOZFB-UHFFFAOYSA-N 1 0 322.412 2.084 10 0 DEAERO O=C(c1csc(-c2ccoc2)n1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261696008 145217714 /nfs/dbraw/zinc/21/77/14/145217714.db2.gz FEAZLIUPLYGHOH-TXEJJXNPSA-N 1 0 317.414 2.475 10 0 DEAERO O=C(N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1(c2cccc(F)c2)CC1 ZINC000261702086 145218396 /nfs/dbraw/zinc/21/83/96/145218396.db2.gz FONCGIFNIQMSAF-OKILXGFUSA-N 1 0 302.393 2.315 10 0 DEAERO C[C@@H]([NH3+])CC(=O)NCc1cc(Oc2ccc(F)cc2)ccn1 ZINC000261708039 145219171 /nfs/dbraw/zinc/21/91/71/145219171.db2.gz DHKNWKHPDRIFFI-LLVKDONJSA-N 1 0 303.337 2.367 10 0 DEAERO C[C@@H](C(=O)N1CCCc2ccccc21)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261711424 145219289 /nfs/dbraw/zinc/21/92/89/145219289.db2.gz MMXWUDPTUZIXTQ-WMLDXEAASA-N 1 0 315.461 2.414 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261724462 145220836 /nfs/dbraw/zinc/22/08/36/145220836.db2.gz NSSWPXIAGKAMIP-RDJZCZTQSA-N 1 0 317.477 2.401 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)COCc1ccccc1 ZINC000261758343 145223636 /nfs/dbraw/zinc/22/36/36/145223636.db2.gz FRCAICOQGADZEX-SFYZZRBRSA-N 1 0 302.418 2.225 10 0 DEAERO [NH3+][C@@H](C(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000261772363 145225277 /nfs/dbraw/zinc/22/52/77/145225277.db2.gz FUAJKEFDVSIGPU-GFCCVEGCSA-N 1 0 313.195 2.142 10 0 DEAERO C[C@H]1C[C@@H](c2nc(CC(=O)Nc3ccccc3)no2)CC[NH2+]1 ZINC000261795715 145227306 /nfs/dbraw/zinc/22/73/06/145227306.db2.gz RFDYGJXABDJUQR-RYUDHWBXSA-N 1 0 300.362 2.106 10 0 DEAERO Cn1cc(Cl)cc1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261803320 145228044 /nfs/dbraw/zinc/22/80/44/145228044.db2.gz VYESMWCYPCRXRG-UHFFFAOYSA-N 1 0 305.809 2.322 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000261804006 145228102 /nfs/dbraw/zinc/22/81/02/145228102.db2.gz MWRSAJUGSWQUCR-RWMBFGLXSA-N 1 0 323.462 2.231 10 0 DEAERO [NH3+][C@H](C(=O)N1CCC(Cc2ccccc2)CC1)C1CCOCC1 ZINC000261809463 145228861 /nfs/dbraw/zinc/22/88/61/145228861.db2.gz OPHBPLZNXNMKTA-SFHVURJKSA-N 1 0 316.445 2.222 10 0 DEAERO CC1(C)CN(C(=O)C2(c3ccccc3)CCOCC2)CC[C@H]1[NH3+] ZINC000261869685 145236274 /nfs/dbraw/zinc/23/62/74/145236274.db2.gz NYGHBHOBTFPUGF-MRXNPFEDSA-N 1 0 316.445 2.321 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000261914266 145241089 /nfs/dbraw/zinc/24/10/89/145241089.db2.gz YORKDPYVFPFACL-IATRGZMQSA-N 1 0 315.417 2.090 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000261914267 145241144 /nfs/dbraw/zinc/24/11/44/145241144.db2.gz YORKDPYVFPFACL-JXFSHQFZSA-N 1 0 315.417 2.090 10 0 DEAERO O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000261935502 145244181 /nfs/dbraw/zinc/24/41/81/145244181.db2.gz ZKYBWBYWIBGVDP-JSGCOSHPSA-N 1 0 318.421 2.043 10 0 DEAERO COCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261941016 145245013 /nfs/dbraw/zinc/24/50/13/145245013.db2.gz MUQMMLHMTHWPAR-RCCFBDPRSA-N 1 0 304.434 2.080 10 0 DEAERO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261954427 145246587 /nfs/dbraw/zinc/24/65/87/145246587.db2.gz OTSPTZWKIRGNQG-RCCFBDPRSA-N 1 0 304.434 2.332 10 0 DEAERO Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261964479 145248114 /nfs/dbraw/zinc/24/81/14/145248114.db2.gz PYEPHYSXRXCDEE-KZNAEPCWSA-N 1 0 306.425 2.423 10 0 DEAERO CCC1(CC)[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C[C@H]1OC ZINC000261976951 145248734 /nfs/dbraw/zinc/24/87/34/145248734.db2.gz RFSHRWHNZISZGI-DMRKSPOLSA-N 1 0 310.482 2.327 10 0 DEAERO CCC1(CC)[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C[C@@H]1OC ZINC000261976956 145248827 /nfs/dbraw/zinc/24/88/27/145248827.db2.gz RFSHRWHNZISZGI-NNXHMXCWSA-N 1 0 310.482 2.327 10 0 DEAERO Cc1ccccc1-n1cc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261996257 145250671 /nfs/dbraw/zinc/25/06/71/145250671.db2.gz NENVVXIWYHVWAE-MRXNPFEDSA-N 1 0 312.417 2.380 10 0 DEAERO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)c1ccsc1 ZINC000262036130 145255232 /nfs/dbraw/zinc/25/52/32/145255232.db2.gz XZXPRSJQZINOFN-QBPKDAKJSA-N 1 0 323.506 2.098 10 0 DEAERO [NH3+]CC1(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)CCOCC1 ZINC000262052619 145257598 /nfs/dbraw/zinc/25/75/98/145257598.db2.gz ZTLQVAPGESGVGI-KRWDZBQOSA-N 1 0 316.445 2.223 10 0 DEAERO C[C@]1(CN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000262085371 145261041 /nfs/dbraw/zinc/26/10/41/145261041.db2.gz UGRKNFZUWSIEQX-WBVHZDCISA-N 1 0 320.412 2.021 10 0 DEAERO C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(C(F)(F)F)cc1 ZINC000262113586 145263294 /nfs/dbraw/zinc/26/32/94/145263294.db2.gz JYIAJEDUIIBZRY-GXFFZTMASA-N 1 0 316.323 2.261 10 0 DEAERO COCC[C@]1(c2nc(COc3cccc(F)c3)no2)CC[NH2+]C1 ZINC000262141251 145265559 /nfs/dbraw/zinc/26/55/59/145265559.db2.gz ZELDGATTZCIFEP-MRXNPFEDSA-N 1 0 321.352 2.055 10 0 DEAERO CC1(C)CN(C(=O)CCc2nc3ccccc3o2)CC[C@H]1[NH3+] ZINC000262196913 145268928 /nfs/dbraw/zinc/26/89/28/145268928.db2.gz ZXWYJGYLHKFTAX-CQSZACIVSA-N 1 0 301.390 2.346 10 0 DEAERO CCc1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)s1 ZINC000262419564 145282687 /nfs/dbraw/zinc/28/26/87/145282687.db2.gz DWCDAQWKNKMCQB-JJRVBVJISA-N 1 0 322.474 2.459 10 0 DEAERO CCOC(=O)C1CCC(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000262420075 145282860 /nfs/dbraw/zinc/28/28/60/145282860.db2.gz DYCBTKAERPXZMZ-JYVUQVBGSA-N 1 0 310.438 2.132 10 0 DEAERO O=S(=O)(c1cccc2ccccc21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000262433817 145283851 /nfs/dbraw/zinc/28/38/51/145283851.db2.gz GBZYIDCJRBTOAV-GOEBONIOSA-N 1 0 316.426 2.212 10 0 DEAERO C[C@H](C[NH3+])C(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000262459996 145285096 /nfs/dbraw/zinc/28/50/96/145285096.db2.gz WZKDWDPAOXNIPA-ABAIWWIYSA-N 1 0 318.808 2.273 10 0 DEAERO CC(C)c1ccc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262528173 145290429 /nfs/dbraw/zinc/29/04/29/145290429.db2.gz PDEIOSHBMWHKSI-USXIJHARSA-N 1 0 301.434 2.418 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000262565406 145293606 /nfs/dbraw/zinc/29/36/06/145293606.db2.gz CLLRJOWWLFGXFQ-CZUORRHYSA-N 1 0 320.481 2.284 10 0 DEAERO Cc1nc(-c2ccccc2)c(NC(=O)C[C@@H]2COCC[NH2+]2)s1 ZINC000262567202 145293852 /nfs/dbraw/zinc/29/38/52/145293852.db2.gz RWSHFQHRTHETOE-CYBMUJFWSA-N 1 0 317.414 2.436 10 0 DEAERO CN(CCc1cccs1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262575843 145294355 /nfs/dbraw/zinc/29/43/55/145294355.db2.gz YDDCRIQRWJSAOU-JJRVBVJISA-N 1 0 322.474 2.282 10 0 DEAERO CCOCCOc1ccccc1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262594582 145295470 /nfs/dbraw/zinc/29/54/70/145295470.db2.gz WPQHXYCETAJLFJ-UHFFFAOYSA-N 1 0 308.422 2.159 10 0 DEAERO CCOCCOc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262590723 145295697 /nfs/dbraw/zinc/29/56/97/145295697.db2.gz DAOTVGPRLVOONL-CABCVRRESA-N 1 0 318.417 2.068 10 0 DEAERO Cc1nc(C)c(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)s1 ZINC000262680896 145299977 /nfs/dbraw/zinc/29/99/77/145299977.db2.gz XIFMGDZWNFOZLB-MJBXVCDLSA-N 1 0 307.463 2.339 10 0 DEAERO Cc1cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c(Cl)cc1F ZINC000262726842 145301900 /nfs/dbraw/zinc/30/19/00/145301900.db2.gz BCOMCJNDEMWHON-JTQLQIEISA-N 1 0 320.817 2.065 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000262765690 145304078 /nfs/dbraw/zinc/30/40/78/145304078.db2.gz KUZHFGYCBKUGGA-GHMZBOCLSA-N 1 0 316.492 2.322 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2c[nH]nc2-c2ccc(F)cc2)CC[NH2+]1 ZINC000262829082 145306950 /nfs/dbraw/zinc/30/69/50/145306950.db2.gz HRAQUEKHIZAETN-GXFFZTMASA-N 1 0 302.353 2.086 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(/C=C/c2ccc(Cl)cc2)n1 ZINC000263140676 145329056 /nfs/dbraw/zinc/32/90/56/145329056.db2.gz CHKDPKPGAFFILK-LVDDQXARSA-N 1 0 304.781 2.470 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000263169306 145331661 /nfs/dbraw/zinc/33/16/61/145331661.db2.gz FOIVYOOQUYHTKR-GMTAPVOTSA-N 1 0 318.343 2.482 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(CCSc2ccc(F)cc2)n1 ZINC000263193508 145334800 /nfs/dbraw/zinc/33/48/00/145334800.db2.gz IDQMAEYHMLCOGY-ZDUSSCGKSA-N 1 0 322.409 2.120 10 0 DEAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(-c2ccccc2)cc1F ZINC000263223037 145338195 /nfs/dbraw/zinc/33/81/95/145338195.db2.gz MFAMYEGCZQZLFR-WMZOPIPTSA-N 1 0 300.377 2.163 10 0 DEAERO CC(C)OCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309919206 145350761 /nfs/dbraw/zinc/35/07/61/145350761.db2.gz PYHQWQUJVNFFHV-RCCFBDPRSA-N 1 0 316.445 2.438 10 0 DEAERO c1ccc(N2CCO[C@@H](C[N@@H+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC000565174491 292140939 /nfs/dbraw/zinc/14/09/39/292140939.db2.gz WYWRRLKRWHXHDN-OALUTQOASA-N 1 0 316.445 2.394 10 0 DEAERO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC(=O)CC1 ZINC000348802192 146310359 /nfs/dbraw/zinc/31/03/59/146310359.db2.gz MBLZWIZZZRATMV-MRXNPFEDSA-N 1 0 314.429 2.384 10 0 DEAERO O[C@@H](CC[NH2+]Cc1cn2cc(Cl)ccc2n1)C(F)(F)F ZINC000349317151 146367224 /nfs/dbraw/zinc/36/72/24/146367224.db2.gz PLLULTRMKQFNDL-JTQLQIEISA-N 1 0 307.703 2.391 10 0 DEAERO CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000565362898 292157123 /nfs/dbraw/zinc/15/71/23/292157123.db2.gz SHSVECANESXPAK-AWEZNQCLSA-N 1 0 300.362 2.269 10 0 DEAERO C[NH+](C)C1(CNC(=O)NC[C@](C)(O)C2CCCCC2)CCC1 ZINC000359303869 147302760 /nfs/dbraw/zinc/30/27/60/147302760.db2.gz JUHWSDMJWJVLKQ-INIZCTEOSA-N 1 0 311.470 2.101 10 0 DEAERO CCOCc1nc([C@H](C)NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)no1 ZINC000359506322 147339771 /nfs/dbraw/zinc/33/97/71/147339771.db2.gz MBRNGKWKAQGLFL-CYDGBPFRSA-N 1 0 324.425 2.045 10 0 DEAERO Cc1cnc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)nc1 ZINC000360630628 147362916 /nfs/dbraw/zinc/36/29/16/147362916.db2.gz VVZKXNQSWBRRQM-UHFFFAOYSA-N 1 0 315.392 2.494 10 0 DEAERO Cc1ccnc(C2CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC2)n1 ZINC000371823298 148143633 /nfs/dbraw/zinc/14/36/33/148143633.db2.gz QJTBZKAKSRILMR-AWEZNQCLSA-N 1 0 319.453 2.014 10 0 DEAERO CC(C)n1nccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374684625 148277322 /nfs/dbraw/zinc/27/73/22/148277322.db2.gz AQJWBHURFSNTGP-ZBFHGGJFSA-N 1 0 307.438 2.121 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ncsc2Br)C1 ZINC000565794900 292182887 /nfs/dbraw/zinc/18/28/87/292182887.db2.gz OZJBGRLPWPSRGL-MRVPVSSYSA-N 1 0 318.240 2.120 10 0 DEAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000111689998 401721115 /nfs/dbraw/zinc/72/11/15/401721115.db2.gz UVQYAPHPMAKHBH-NEPJUHHUSA-N 1 0 316.430 2.291 10 0 DEAERO CCC[C@@H](CCO)CNC(=O)NCC1CC[NH+](CCC)CC1 ZINC000073953000 401725798 /nfs/dbraw/zinc/72/57/98/401725798.db2.gz CFFRVHLNDWQCDO-HNNXBMFYSA-N 1 0 313.486 2.206 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)Oc1ccccc1 ZINC000074010946 401727787 /nfs/dbraw/zinc/72/77/87/401727787.db2.gz OQGRBBZJXODHES-GJZGRUSLSA-N 1 0 307.438 2.483 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)CCC(=O)N3)CC[N@@H+]1C ZINC000127462317 401736450 /nfs/dbraw/zinc/73/64/50/401736450.db2.gz JUXAOEFXOFQNDV-DOMZBBRYSA-N 1 0 315.417 2.126 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2csc(-c3ccco3)n2)CCO1 ZINC000071878847 401691239 /nfs/dbraw/zinc/69/12/39/401691239.db2.gz KEGCURWXSNWOKC-CYBMUJFWSA-N 1 0 307.419 2.166 10 0 DEAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)cc1F ZINC000126622079 401701637 /nfs/dbraw/zinc/70/16/37/401701637.db2.gz XFULBYHPWMMYRZ-WDEREUQCSA-N 1 0 307.369 2.161 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(OCCC(=O)OC)cc1)[NH+](C)C ZINC000126884846 401711873 /nfs/dbraw/zinc/71/18/73/401711873.db2.gz LGBBDCSUCAGYFO-HNNXBMFYSA-N 1 0 322.405 2.297 10 0 DEAERO CCOC[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114503777 401802434 /nfs/dbraw/zinc/80/24/34/401802434.db2.gz ANKYNQFIGXINTK-QZTJIDSGSA-N 1 0 307.434 2.313 10 0 DEAERO CC1(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)COC1 ZINC000112723468 401756453 /nfs/dbraw/zinc/75/64/53/401756453.db2.gz NJCCNSDCIAFWTI-UHFFFAOYSA-N 1 0 317.433 2.118 10 0 DEAERO CCc1cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)ccc1C ZINC000127997682 401758445 /nfs/dbraw/zinc/75/84/45/401758445.db2.gz VZYOFGLEEIIESH-UHFFFAOYSA-N 1 0 305.422 2.000 10 0 DEAERO COc1ccccc1CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113232324 401771825 /nfs/dbraw/zinc/77/18/25/401771825.db2.gz QTOFYFBLNBZNKQ-GOEBONIOSA-N 1 0 302.418 2.323 10 0 DEAERO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)[C@@H]1CCCO1 ZINC000128364173 401773675 /nfs/dbraw/zinc/77/36/75/401773675.db2.gz ZISHIPQTOKCSNN-JONQDZQNSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cccc(Cl)c1 ZINC000113268931 401773930 /nfs/dbraw/zinc/77/39/30/401773930.db2.gz UNCGKFASGMUIBF-SWLSCSKDSA-N 1 0 307.825 2.447 10 0 DEAERO CC[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CCCO1 ZINC000128438932 401777486 /nfs/dbraw/zinc/77/74/86/401777486.db2.gz ICDVXGMZUHJYEC-QDIHITRGSA-N 1 0 311.470 2.364 10 0 DEAERO CCc1ccc(N2CC[NH+](CCC(=O)NC(C)C)CC2)cc1 ZINC000076060624 401779734 /nfs/dbraw/zinc/77/97/34/401779734.db2.gz MTVSHVXZCBWDEC-UHFFFAOYSA-N 1 0 303.450 2.286 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cc(F)cc(F)c1 ZINC000113608689 401783732 /nfs/dbraw/zinc/78/37/32/401783732.db2.gz GHHLJXYQGXBCAE-BLLLJJGKSA-N 1 0 323.387 2.385 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)NCC2([NH+](C)C)CCOCC2)o1 ZINC000114017435 401789416 /nfs/dbraw/zinc/78/94/16/401789416.db2.gz KVHNEJOATNOMSG-ZDUSSCGKSA-N 1 0 309.410 2.059 10 0 DEAERO COCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000114207627 401794557 /nfs/dbraw/zinc/79/45/57/401794557.db2.gz KXPCCBHWKIUERI-OAHLLOKOSA-N 1 0 305.422 2.467 10 0 DEAERO Cc1nn(C)c(C)c1CCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130281108 401825639 /nfs/dbraw/zinc/82/56/39/401825639.db2.gz DQZCUIHJEWHUOH-UHFFFAOYSA-N 1 0 320.481 2.206 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H]1OCCc2ccccc21 ZINC000115385968 401825882 /nfs/dbraw/zinc/82/58/82/401825882.db2.gz VQTXFKQNJSQCNZ-QGPMSJSTSA-N 1 0 314.429 2.386 10 0 DEAERO CCc1cc(C)c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000130397605 401830152 /nfs/dbraw/zinc/83/01/52/401830152.db2.gz ZBWHUFYIPCSXQR-AWEZNQCLSA-N 1 0 322.449 2.315 10 0 DEAERO C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H](C)CO ZINC000077772750 401830356 /nfs/dbraw/zinc/83/03/56/401830356.db2.gz INMCPCHDVJEOHO-HUUCEWRRSA-N 1 0 319.449 2.099 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2=O)c1 ZINC000115542906 401831078 /nfs/dbraw/zinc/83/10/78/401831078.db2.gz CRZTXQWOVFHCKW-MRXNPFEDSA-N 1 0 316.380 2.116 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)NCCCC1CCCC1 ZINC000077818450 401833405 /nfs/dbraw/zinc/83/34/05/401833405.db2.gz FRHZNCVKHPKIFI-UHFFFAOYSA-N 1 0 311.470 2.368 10 0 DEAERO C[NH+](C)C1CCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000115738694 401836426 /nfs/dbraw/zinc/83/64/26/401836426.db2.gz OIPLWWYGMOJNJC-QGZVFWFLSA-N 1 0 319.424 2.347 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000130630827 401836532 /nfs/dbraw/zinc/83/65/32/401836532.db2.gz WTDFQYCXTPXAOH-CYBMUJFWSA-N 1 0 316.409 2.119 10 0 DEAERO C[C@H](C(=O)N1CC[C@@H](c2cnn(C)c2)C1)[NH+]1CCCCCC1 ZINC000116116540 401842510 /nfs/dbraw/zinc/84/25/10/401842510.db2.gz UWCHPLJAAYBREW-HUUCEWRRSA-N 1 0 304.438 2.001 10 0 DEAERO COc1ccccc1CC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000116276147 401847434 /nfs/dbraw/zinc/84/74/34/401847434.db2.gz LQZHOBMJHVAZEF-INIZCTEOSA-N 1 0 302.418 2.180 10 0 DEAERO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116310769 401848775 /nfs/dbraw/zinc/84/87/75/401848775.db2.gz DBAGONJSANPXFN-GJZGRUSLSA-N 1 0 304.438 2.001 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)c3ccc(F)cc3F)C2)cn1 ZINC000116313745 401849319 /nfs/dbraw/zinc/84/93/19/401849319.db2.gz NDJKUWFJEGMBAQ-BZNIZROVSA-N 1 0 307.344 2.221 10 0 DEAERO C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCCO1 ZINC000078434838 401851058 /nfs/dbraw/zinc/85/10/58/401851058.db2.gz TWPXMWJWRXQPKD-CWRNSKLLSA-N 1 0 305.422 2.156 10 0 DEAERO CC[C@H](Sc1ccccc1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116783278 401858555 /nfs/dbraw/zinc/85/85/55/401858555.db2.gz RMOSUZFDSWDAAJ-HOCLYGCPSA-N 1 0 322.474 2.346 10 0 DEAERO COc1ccc(-n2cc(CNC(=[NH2+])Nc3ccccc3)nn2)cc1 ZINC000086999371 401925720 /nfs/dbraw/zinc/92/57/20/401925720.db2.gz ZSMBXGHOBKGDLU-UHFFFAOYSA-N 1 0 322.372 2.412 10 0 DEAERO CC[C@H]1CN(C(=O)C2CCC(F)(F)CC2)CC[N@@H+]1CCOC ZINC000135102533 401926596 /nfs/dbraw/zinc/92/65/96/401926596.db2.gz MHLLRWIINWQUHA-AWEZNQCLSA-N 1 0 318.408 2.381 10 0 DEAERO C[C@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000135295148 401934414 /nfs/dbraw/zinc/93/44/14/401934414.db2.gz HCBNUCSJHPGJBS-MWLCHTKSSA-N 1 0 313.195 2.155 10 0 DEAERO CCOC(=O)CCCC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000132947355 401876949 /nfs/dbraw/zinc/87/69/49/401876949.db2.gz JXQFMKATKBXRAT-HNNXBMFYSA-N 1 0 320.437 2.111 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1cccc(F)c1Cl ZINC000079583287 401876958 /nfs/dbraw/zinc/87/69/58/401876958.db2.gz YRYUEPWYWLPLJT-UHFFFAOYSA-N 1 0 314.788 2.321 10 0 DEAERO CC[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000117495182 401878162 /nfs/dbraw/zinc/87/81/62/401878162.db2.gz HXZQHVMJZZTNKN-HZPDHXFCSA-N 1 0 311.470 2.319 10 0 DEAERO C[C@H](NC(=O)NCC[NH+](C)C)c1ccccc1Br ZINC000133342240 401882779 /nfs/dbraw/zinc/88/27/79/401882779.db2.gz UFZDOLMWDHIIEZ-JTQLQIEISA-N 1 0 314.227 2.371 10 0 DEAERO CC(C)NC(=O)CC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000035853593 401901439 /nfs/dbraw/zinc/90/14/39/401901439.db2.gz PDQWQGHWTCTOPN-UHFFFAOYSA-N 1 0 309.841 2.377 10 0 DEAERO O=C(NC1CCCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000036103459 401902628 /nfs/dbraw/zinc/90/26/28/401902628.db2.gz OEDNHANASJMKMS-UHFFFAOYSA-N 1 0 309.454 2.073 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000089107819 401936134 /nfs/dbraw/zinc/93/61/34/401936134.db2.gz VEJTUYIAYAHSDL-PWSUYJOCSA-N 1 0 302.465 2.106 10 0 DEAERO CCNC(=O)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000036850105 401908216 /nfs/dbraw/zinc/90/82/16/401908216.db2.gz AIUGSEHOEKITKI-UHFFFAOYSA-N 1 0 311.223 2.421 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(Cl)c(F)c2)CCO1 ZINC000118805118 401908971 /nfs/dbraw/zinc/90/89/71/401908971.db2.gz KEKWHDJIHSUPFN-NSHDSACASA-N 1 0 315.776 2.273 10 0 DEAERO C[NH2+][C@@H]1CCN(c2ccccc2I)C1 ZINC000037483586 401913805 /nfs/dbraw/zinc/91/38/05/401913805.db2.gz YXLTZDMTQMCZHL-SECBINFHSA-N 1 0 302.159 2.089 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000037536772 401914975 /nfs/dbraw/zinc/91/49/75/401914975.db2.gz IBXLDYVQSMCJPI-UHFFFAOYSA-N 1 0 322.352 2.078 10 0 DEAERO CC1(C)CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085822776 401919238 /nfs/dbraw/zinc/91/92/38/401919238.db2.gz NMWUJHHVQBWOKZ-AWEZNQCLSA-N 1 0 302.484 2.170 10 0 DEAERO CC(C)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000086400204 401922305 /nfs/dbraw/zinc/92/23/05/401922305.db2.gz BPIXJWFUEFEGSO-ZBFHGGJFSA-N 1 0 304.438 2.342 10 0 DEAERO CCC[C@](C)(CO)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000086369831 401922564 /nfs/dbraw/zinc/92/25/64/401922564.db2.gz IBGZOEXYOTZTEI-FUHWJXTLSA-N 1 0 321.465 2.010 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(CCOC)CCC1 ZINC000119459480 401951795 /nfs/dbraw/zinc/95/17/95/401951795.db2.gz ABIUWRMDBTXLEW-JKSUJKDBSA-N 1 0 323.481 2.461 10 0 DEAERO NS(=O)(=O)CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000045069685 401953878 /nfs/dbraw/zinc/95/38/78/401953878.db2.gz CUJDOXOQBFTZDM-CYBMUJFWSA-N 1 0 302.827 2.059 10 0 DEAERO COC(=O)[C@H]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000119532578 401956716 /nfs/dbraw/zinc/95/67/16/401956716.db2.gz HNWACBQLLGVJDC-HRCADAONSA-N 1 0 324.465 2.202 10 0 DEAERO Fc1cc(F)c(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1F ZINC000136080586 401959329 /nfs/dbraw/zinc/95/93/29/401959329.db2.gz GWOQADZWXDYABC-LBPRGKRZSA-N 1 0 300.324 2.057 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cncc(F)c1 ZINC000089732203 401959396 /nfs/dbraw/zinc/95/93/96/401959396.db2.gz UWCHAPMSUQTHGJ-DOMZBBRYSA-N 1 0 301.369 2.330 10 0 DEAERO C[C@]1(CNC(=O)N2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000119692295 401963444 /nfs/dbraw/zinc/96/34/44/401963444.db2.gz DYJRTVRKQAEIJZ-GOSISDBHSA-N 1 0 317.433 2.083 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(CN2CCCC2=O)cc1)[NH+](C)C ZINC000136477845 401968587 /nfs/dbraw/zinc/96/85/87/401968587.db2.gz XKDNJEIBCJMXPF-INIZCTEOSA-N 1 0 317.433 2.478 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090004011 401978898 /nfs/dbraw/zinc/97/88/98/401978898.db2.gz ZVHDNHWBENUSQJ-HRCADAONSA-N 1 0 320.481 2.368 10 0 DEAERO C[C@@H]1CC[C@H](C(=O)NCc2nccn2CCc2ccccc2)O1 ZINC000120185353 401981120 /nfs/dbraw/zinc/98/11/20/401981120.db2.gz OXVOXWQRWQJJHL-GDBMZVCRSA-N 1 0 313.401 2.310 10 0 DEAERO C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccccc1 ZINC000047578804 401984032 /nfs/dbraw/zinc/98/40/32/401984032.db2.gz SHXVJVGDQFPGAC-HNNXBMFYSA-N 1 0 305.422 2.159 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccccc1Br ZINC000148932526 401992143 /nfs/dbraw/zinc/99/21/43/401992143.db2.gz BKZQFFJRISULIJ-VXGBXAGGSA-N 1 0 324.222 2.357 10 0 DEAERO CCCc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n(C)n1 ZINC000091093891 401993024 /nfs/dbraw/zinc/99/30/24/401993024.db2.gz KXAQISZNWICVFF-TZMCWYRMSA-N 1 0 307.442 2.319 10 0 DEAERO COc1ccc([C@H](C)NC(=O)C[C@@H]2CSCC[NH2+]2)cc1F ZINC000091135120 401994534 /nfs/dbraw/zinc/99/45/34/401994534.db2.gz UUFOJWBBFDJNJM-CMPLNLGQSA-N 1 0 312.410 2.107 10 0 DEAERO C[N@@H+](CC(=O)N1CCC[C@H]1c1cccs1)CC1CC(O)C1 ZINC000091491252 401996257 /nfs/dbraw/zinc/99/62/57/401996257.db2.gz DHHIQRUPCXOXCD-RUXDESIVSA-N 1 0 308.447 2.114 10 0 DEAERO CCCOc1cccc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000120640472 401996600 /nfs/dbraw/zinc/99/66/00/401996600.db2.gz LPMWLTDTOAIVAZ-HZPDHXFCSA-N 1 0 306.450 2.362 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2nncs2)C1 ZINC000053750143 402059434 /nfs/dbraw/zinc/05/94/34/402059434.db2.gz TXRSUVKRPKHUJT-PHIMTYICSA-N 1 0 311.455 2.416 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)N[C@@H](C)c2cccc(O)c2)[C@@H](C)C1 ZINC000121279696 402025391 /nfs/dbraw/zinc/02/53/91/402025391.db2.gz FJFJCLTZCXZVTQ-XEZPLFJOSA-N 1 0 305.422 2.481 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cnccn1 ZINC000095089253 402025397 /nfs/dbraw/zinc/02/53/97/402025397.db2.gz QPFLGWDLIKXQCY-STQMWFEESA-N 1 0 306.410 2.384 10 0 DEAERO COc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)c(OC)c1 ZINC000151324459 402029460 /nfs/dbraw/zinc/02/94/60/402029460.db2.gz DAERQODRIWURSF-LSDHHAIUSA-N 1 0 322.449 2.201 10 0 DEAERO CCC(CC)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000121365504 402031772 /nfs/dbraw/zinc/03/17/72/402031772.db2.gz QTGWDMBMXVRLOE-SJPCQFCGSA-N 1 0 322.497 2.127 10 0 DEAERO CCC[C@H](C(=O)N1CCO[C@@]2(CCc3ccccc32)C1)[NH+](C)C ZINC000121537037 402042738 /nfs/dbraw/zinc/04/27/38/402042738.db2.gz BILUSEWYCGTCQD-MJGOQNOKSA-N 1 0 316.445 2.417 10 0 DEAERO Cc1cc(C(=O)NCCCC[NH+]2CCOCC2)ccc1Cl ZINC000121628182 402047192 /nfs/dbraw/zinc/04/71/92/402047192.db2.gz LDRFZPKHDUUBHG-UHFFFAOYSA-N 1 0 310.825 2.491 10 0 DEAERO Cc1cnc(CCN(C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000121727369 402050317 /nfs/dbraw/zinc/05/03/17/402050317.db2.gz NHYYVDRUVFVHFZ-JSGCOSHPSA-N 1 0 324.494 2.364 10 0 DEAERO COc1ccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000150855494 402000579 /nfs/dbraw/zinc/00/05/79/402000579.db2.gz WXXXGFCMOZLAAS-CJNGLKHVSA-N 1 0 305.422 2.223 10 0 DEAERO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CSC(C)(C)C ZINC000150854623 402000766 /nfs/dbraw/zinc/00/07/66/402000766.db2.gz OZERBSXEIUFDGF-UHFFFAOYSA-N 1 0 323.462 2.317 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cn(C)nc1C(C)(C)C ZINC000092246344 402003459 /nfs/dbraw/zinc/00/34/59/402003459.db2.gz YWMZBBNSGXTGMF-ZDUSSCGKSA-N 1 0 308.470 2.424 10 0 DEAERO COCC[N@@H+]1CCN(C/C=C/c2ccccc2OC)C[C@@H]1C ZINC000120820451 402003516 /nfs/dbraw/zinc/00/35/16/402003516.db2.gz WZSYZNHXOFJEDF-BVBGJJFLSA-N 1 0 304.434 2.361 10 0 DEAERO C[N@H+](CCNC(=O)N1CC[C@@H]2OCCC[C@@H]2C1)C1CCCC1 ZINC000150922821 402004914 /nfs/dbraw/zinc/00/49/14/402004914.db2.gz OKFDTSKMXQVKHY-ZBFHGGJFSA-N 1 0 309.454 2.071 10 0 DEAERO CC[N@H+](C)Cc1cccc(CNC(=O)CCc2ccnn2C)c1 ZINC000121019886 402010794 /nfs/dbraw/zinc/01/07/94/402010794.db2.gz JRAYHPBUHQKPKX-UHFFFAOYSA-N 1 0 314.433 2.121 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000122411956 402077455 /nfs/dbraw/zinc/07/74/55/402077455.db2.gz BMNGZIRYBVLIOG-NSHDSACASA-N 1 0 319.380 2.127 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)Cc1cn2ccccc2n1)c1ccccc1 ZINC000122625466 402088026 /nfs/dbraw/zinc/08/80/26/402088026.db2.gz WSIPOYSKZCJWSJ-QGZVFWFLSA-N 1 0 322.412 2.296 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000122648014 402089003 /nfs/dbraw/zinc/08/90/03/402089003.db2.gz AHONXBUTUIYUNX-HIFRSBDPSA-N 1 0 318.417 2.260 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(C(=O)NCC3(C4CC4)CC3)CC2)CCO1 ZINC000152336945 402090485 /nfs/dbraw/zinc/09/04/85/402090485.db2.gz IBTGBUSSBSAOOW-AWEZNQCLSA-N 1 0 321.465 2.071 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)C(C)(C)c1ccccc1F ZINC000152412051 402095066 /nfs/dbraw/zinc/09/50/66/402095066.db2.gz SXICDGRNAVXKQD-UHFFFAOYSA-N 1 0 310.413 2.188 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCOc2ccc(F)cc2)C1 ZINC000057632486 402096194 /nfs/dbraw/zinc/09/61/94/402096194.db2.gz DLPGAZFNJHAVTL-OAHLLOKOSA-N 1 0 323.412 2.378 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cccc(C)c1 ZINC000122820516 402096366 /nfs/dbraw/zinc/09/63/66/402096366.db2.gz UXLWEAOQJFCAFS-DLBZAZTESA-N 1 0 301.434 2.492 10 0 DEAERO COCCc1cc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)n(C)n1 ZINC000122927246 402101697 /nfs/dbraw/zinc/10/16/97/402101697.db2.gz VVEIYMWLSQXVNX-MRXNPFEDSA-N 1 0 322.453 2.058 10 0 DEAERO O=C(COc1ccc(F)cc1Cl)NCC[C@H]1CCC[NH2+]C1 ZINC000152606548 402102090 /nfs/dbraw/zinc/10/20/90/402102090.db2.gz LJAUCPYJRYLSGG-LLVKDONJSA-N 1 0 314.788 2.364 10 0 DEAERO COc1ccc(OC)c(CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000097327099 402121720 /nfs/dbraw/zinc/12/17/20/402121720.db2.gz GTNJHPWFCNDQQD-AWEZNQCLSA-N 1 0 320.433 2.237 10 0 DEAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)NCc1cccc(Cl)c1 ZINC000061041021 402106888 /nfs/dbraw/zinc/10/68/88/402106888.db2.gz IJRZWNLNSKMFQP-UHFFFAOYSA-N 1 0 321.852 2.126 10 0 DEAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000152768618 402107750 /nfs/dbraw/zinc/10/77/50/402107750.db2.gz ZMSAOJOLGJBTBS-AWEZNQCLSA-N 1 0 319.453 2.031 10 0 DEAERO CC(C)CCC[C@H](C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000061955581 402109110 /nfs/dbraw/zinc/10/91/10/402109110.db2.gz DMDZTLXABQCDJI-HOTGVXAUSA-N 1 0 313.486 2.347 10 0 DEAERO COC(=O)c1cccc(OCC[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000153062889 402124753 /nfs/dbraw/zinc/12/47/53/402124753.db2.gz WJIOOXPBMBJDBE-WBVHZDCISA-N 1 0 319.401 2.353 10 0 DEAERO O=C(CN1CCC[C@@H]([NH+]2CCCC2)C1)Nc1ccccc1F ZINC000097474487 402125735 /nfs/dbraw/zinc/12/57/35/402125735.db2.gz NXZADRRGJYZMJF-CQSZACIVSA-N 1 0 305.397 2.324 10 0 DEAERO C[N@@H+]1CCO[C@@H]2CN(c3ccnc4ccc(Cl)cc43)C[C@@H]21 ZINC000153140880 402128977 /nfs/dbraw/zinc/12/89/77/402128977.db2.gz BUFOYLRWCHLRBA-JKSUJKDBSA-N 1 0 303.793 2.407 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)N2CCc3sccc3C2)CC[N@@H+]1C ZINC000123462664 402129275 /nfs/dbraw/zinc/12/92/75/402129275.db2.gz NUWCQTXDVOODJZ-UKRRQHHQSA-N 1 0 321.490 2.047 10 0 DEAERO COc1cccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123557367 402134501 /nfs/dbraw/zinc/13/45/01/402134501.db2.gz PCVVHGRYOFMEOJ-DZGCQCFKSA-N 1 0 305.422 2.048 10 0 DEAERO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000066532697 402135691 /nfs/dbraw/zinc/13/56/91/402135691.db2.gz DMLITKGNMOXBCD-RDJZCZTQSA-N 1 0 305.466 2.160 10 0 DEAERO O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)Nc1cc(F)cc(F)c1 ZINC000066535971 402135785 /nfs/dbraw/zinc/13/57/85/402135785.db2.gz YMLQJFYMGQDHNV-MRXNPFEDSA-N 1 0 323.387 2.464 10 0 DEAERO CCN(C)C(=O)CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000153287341 402136872 /nfs/dbraw/zinc/13/68/72/402136872.db2.gz PSRRRALLOPDJEA-UHFFFAOYSA-N 1 0 323.481 2.016 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000123613341 402137623 /nfs/dbraw/zinc/13/76/23/402137623.db2.gz RYAMXQKWIZQBCS-CYBMUJFWSA-N 1 0 300.805 2.368 10 0 DEAERO CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCSC1 ZINC000123367951 402123924 /nfs/dbraw/zinc/12/39/24/402123924.db2.gz JMPGMOCHNWCWQE-JKSUJKDBSA-N 1 0 321.490 2.306 10 0 DEAERO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123726851 402143402 /nfs/dbraw/zinc/14/34/02/402143402.db2.gz SBLJJZQPXMPCOL-LSDHHAIUSA-N 1 0 318.465 2.122 10 0 DEAERO CCN(CC)[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000123709928 402142713 /nfs/dbraw/zinc/14/27/13/402142713.db2.gz PSHLGZAKWLVOBZ-KRWDZBQOSA-N 1 0 318.465 2.202 10 0 DEAERO COc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C)n1 ZINC000123782807 402145817 /nfs/dbraw/zinc/14/58/17/402145817.db2.gz JIGQQQRNZDHKAS-SMDDNHRTSA-N 1 0 306.410 2.249 10 0 DEAERO COc1ccc2nc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000153518368 402151013 /nfs/dbraw/zinc/15/10/13/402151013.db2.gz TVUCSBVSPCHYAQ-AWEZNQCLSA-N 1 0 313.401 2.410 10 0 DEAERO CC[NH+](CC)[C@H](C(=O)NCc1noc(C)n1)c1ccccc1 ZINC000124476656 402181706 /nfs/dbraw/zinc/18/17/06/402181706.db2.gz QELNXZWDNCIYEZ-HNNXBMFYSA-N 1 0 302.378 2.077 10 0 DEAERO COc1ccc(OC)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000124481480 402182056 /nfs/dbraw/zinc/18/20/56/402182056.db2.gz CICBPWHQAIYXHA-STQMWFEESA-N 1 0 306.406 2.259 10 0 DEAERO COc1ccc2c(c1)CCN2C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000154066816 402190192 /nfs/dbraw/zinc/19/01/92/402190192.db2.gz HPNFAKXFYRVONF-GOSISDBHSA-N 1 0 308.381 2.471 10 0 DEAERO COc1cc(CNCC[N@H+](C)C2CCCC2)cc2c1OCCO2 ZINC000103716356 402193500 /nfs/dbraw/zinc/19/35/00/402193500.db2.gz HUJAMWNWGJOJCM-UHFFFAOYSA-N 1 0 320.433 2.430 10 0 DEAERO C[C@H](C(=O)Nc1nccs1)N1CCC([NH+]2CCCC2)CC1 ZINC000104079231 402197429 /nfs/dbraw/zinc/19/74/29/402197429.db2.gz LSNVAAHHGFNLHT-GFCCVEGCSA-N 1 0 308.451 2.030 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000101978142 402159935 /nfs/dbraw/zinc/15/99/35/402159935.db2.gz VPVBWMCKGKGSQI-LBPRGKRZSA-N 1 0 307.394 2.116 10 0 DEAERO Cn1nccc1CCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000124026435 402160295 /nfs/dbraw/zinc/16/02/95/402160295.db2.gz KYULGEILBBTRJC-UHFFFAOYSA-N 1 0 306.454 2.125 10 0 DEAERO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)C1CCOCC1 ZINC000153694419 402163636 /nfs/dbraw/zinc/16/36/36/402163636.db2.gz ZHYOVDNLDITURX-JKSUJKDBSA-N 1 0 308.466 2.384 10 0 DEAERO CC[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)CCN1CC(F)F ZINC000153720307 402165128 /nfs/dbraw/zinc/16/51/28/402165128.db2.gz BOJBSFDTUJAEDW-UONOGXRCSA-N 1 0 317.424 2.049 10 0 DEAERO CCCn1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cn1 ZINC000124137151 402165741 /nfs/dbraw/zinc/16/57/41/402165741.db2.gz YJKOHPOOGIYIGF-OAHLLOKOSA-N 1 0 306.454 2.277 10 0 DEAERO Cc1csc(=O)n1CC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000102682307 402170451 /nfs/dbraw/zinc/17/04/51/402170451.db2.gz DVIGSIQKMPTSKJ-GFCCVEGCSA-N 1 0 320.414 2.340 10 0 DEAERO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC(=O)N3)c2C1 ZINC000102758052 402171639 /nfs/dbraw/zinc/17/16/39/402171639.db2.gz JMVWKBAQWZFEQC-MRXNPFEDSA-N 1 0 315.417 2.265 10 0 DEAERO C[C@H](CC1=CC[N@H+](CCO)CC1)NC(=O)c1cc(F)ccc1F ZINC000067894442 402177543 /nfs/dbraw/zinc/17/75/43/402177543.db2.gz WICSWODJIOBYRO-GFCCVEGCSA-N 1 0 324.371 2.098 10 0 DEAERO CN(C)c1ncc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000154674340 402225548 /nfs/dbraw/zinc/22/55/48/402225548.db2.gz WSIPUUROVODFOZ-ZDUSSCGKSA-N 1 0 322.457 2.031 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccncc1Br ZINC000154813661 402233809 /nfs/dbraw/zinc/23/38/09/402233809.db2.gz UIUDJGLLJKKMGX-GHMZBOCLSA-N 1 0 324.222 2.153 10 0 DEAERO Cc1nn(C)c(C)c1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107526531 402234655 /nfs/dbraw/zinc/23/46/55/402234655.db2.gz CHYSUKHBTRMUNH-HNNXBMFYSA-N 1 0 304.438 2.127 10 0 DEAERO O=C(CCc1ccncc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107666376 402237043 /nfs/dbraw/zinc/23/70/43/402237043.db2.gz UNFWBXJKXUKJHV-KRWDZBQOSA-N 1 0 301.434 2.491 10 0 DEAERO Cc1ccc(OCCCN2CCO[C@H](C[NH+](C)C)C2)cc1C ZINC000155287827 402251600 /nfs/dbraw/zinc/25/16/00/402251600.db2.gz SHYARUWXTTWGIU-GOSISDBHSA-N 1 0 306.450 2.335 10 0 DEAERO CN(CCc1ccc(F)cc1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108588941 402257952 /nfs/dbraw/zinc/25/79/52/402257952.db2.gz GDBVHCIXFFRFRN-OAHLLOKOSA-N 1 0 307.413 2.351 10 0 DEAERO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000155533667 402259849 /nfs/dbraw/zinc/25/98/49/402259849.db2.gz ICKYQHJPARZHPJ-HNNXBMFYSA-N 1 0 312.417 2.425 10 0 DEAERO COCc1cc(N2CC[NH2+]CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000070451674 402260648 /nfs/dbraw/zinc/26/06/48/402260648.db2.gz MWMKTBNZRCPDCU-UHFFFAOYSA-N 1 0 318.808 2.353 10 0 DEAERO CC(C)(C)c1noc(-c2ccc(N3CCC[C@H]([NH3+])C3)nc2)n1 ZINC000070457804 402261153 /nfs/dbraw/zinc/26/11/53/402261153.db2.gz HGCHJEMPOWNMHX-LBPRGKRZSA-N 1 0 301.394 2.357 10 0 DEAERO COc1cccc(-c2cc3c(N4CCC[NH2+]CC4)nccn3n2)c1 ZINC000070459169 402261618 /nfs/dbraw/zinc/26/16/18/402261618.db2.gz CYBUTLXUPRMCNC-UHFFFAOYSA-N 1 0 323.400 2.205 10 0 DEAERO C[C@H]1CN(C2CC[NH+](CCCCCn3cccn3)CC2)CCO1 ZINC000104947554 402205745 /nfs/dbraw/zinc/20/57/45/402205745.db2.gz XRMJNDVUORWKFB-KRWDZBQOSA-N 1 0 320.481 2.239 10 0 DEAERO O=C(NCCC[N@@H+]1CC[C@@H](Nc2ccccc2)C1)C(F)(F)F ZINC000154345086 402207547 /nfs/dbraw/zinc/20/75/47/402207547.db2.gz JTIRGRKCARYYEP-CYBMUJFWSA-N 1 0 315.339 2.241 10 0 DEAERO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105887135 402210306 /nfs/dbraw/zinc/21/03/06/402210306.db2.gz NPHIVQYMRNFTNM-MRXNPFEDSA-N 1 0 320.481 2.488 10 0 DEAERO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N(CC(C)C)C3CC3)C2)c1 ZINC000105901447 402210679 /nfs/dbraw/zinc/21/06/79/402210679.db2.gz JDHSRJGIAXOBOV-QGZVFWFLSA-N 1 0 318.465 2.475 10 0 DEAERO COc1ccccc1[C@@H]1CN(C(C)C)C(=O)[C@]12CCC[NH2+]C2 ZINC000216089280 402287095 /nfs/dbraw/zinc/28/70/95/402287095.db2.gz YRKXELOYZDQOQP-YJBOKZPZSA-N 1 0 302.418 2.399 10 0 DEAERO COc1ccccc1[C@H]1CN(C(C)C)C(=O)[C@@]12CCC[NH2+]C2 ZINC000216089423 402287120 /nfs/dbraw/zinc/28/71/20/402287120.db2.gz YRKXELOYZDQOQP-CRAIPNDOSA-N 1 0 302.418 2.399 10 0 DEAERO CC1(CNC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CCC1 ZINC000176215675 402291267 /nfs/dbraw/zinc/29/12/67/402291267.db2.gz GQHBURSCVMLSKL-KRWDZBQOSA-N 1 0 316.445 2.491 10 0 DEAERO COc1ccc(F)cc1-c1ccnc2[nH]c(C3(O)C[NH2+]C3)cc21 ZINC000217744595 402293622 /nfs/dbraw/zinc/29/36/22/402293622.db2.gz WVQBLDJFOLMMTR-UHFFFAOYSA-N 1 0 313.332 2.168 10 0 DEAERO Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1CC[C@@H]1CCC[N@H+]1C ZINC000184725313 402295437 /nfs/dbraw/zinc/29/54/37/402295437.db2.gz CCAJTSGNVCCPBM-DOTOQJQBSA-N 1 0 319.424 2.091 10 0 DEAERO CC(C)C[C@@H](C)C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000184827547 402302581 /nfs/dbraw/zinc/30/25/81/402302581.db2.gz XFBFIFSOMGOCAC-IAGOWNOFSA-N 1 0 309.498 2.297 10 0 DEAERO Cc1cnn(CC[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000223033108 402309542 /nfs/dbraw/zinc/30/95/42/402309542.db2.gz KSSFCIOAXHZHAJ-UHFFFAOYSA-N 1 0 322.453 2.428 10 0 DEAERO C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)[C@@H](C)c1ccccc1 ZINC000176464034 402312105 /nfs/dbraw/zinc/31/21/05/402312105.db2.gz NRRZFULLJIIWEE-HLLBOEOZSA-N 1 0 319.449 2.151 10 0 DEAERO Cn1cc(-c2cc(C[NH+]3CCC(c4cc[nH]n4)CC3)on2)cn1 ZINC000184992082 402315126 /nfs/dbraw/zinc/31/51/26/402315126.db2.gz LBVJIIKURRLAEF-UHFFFAOYSA-N 1 0 312.377 2.178 10 0 DEAERO Cc1cscc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000176547051 402318259 /nfs/dbraw/zinc/31/82/59/402318259.db2.gz PTALXAURJOSAKD-OAHLLOKOSA-N 1 0 321.490 2.299 10 0 DEAERO C[NH+](C)C[C@](C)(O)CNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000228735978 402340419 /nfs/dbraw/zinc/34/04/19/402340419.db2.gz GIZHCAXNNFBOIA-CYBMUJFWSA-N 1 0 320.220 2.428 10 0 DEAERO Cc1ncc(CN(C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000176842153 402342045 /nfs/dbraw/zinc/34/20/45/402342045.db2.gz PWQYPESWENARDJ-FZMZJTMJSA-N 1 0 310.467 2.322 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000229381764 402342388 /nfs/dbraw/zinc/34/23/88/402342388.db2.gz JAUCHDWCGBUNRW-PBWFPOADSA-N 1 0 312.410 2.004 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2ccccc2)CC1 ZINC000176878715 402345341 /nfs/dbraw/zinc/34/53/41/402345341.db2.gz IEVYITADZVIOJA-INIZCTEOSA-N 1 0 318.461 2.170 10 0 DEAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)CCc1ccc(C)cc1 ZINC000176907410 402348585 /nfs/dbraw/zinc/34/85/85/402348585.db2.gz NTDVMZZLOKTBNM-KRWDZBQOSA-N 1 0 306.450 2.401 10 0 DEAERO CCn1nc(C)c(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1Cl ZINC000176984075 402356962 /nfs/dbraw/zinc/35/69/62/402356962.db2.gz XCPILTPJNXBJEJ-GFCCVEGCSA-N 1 0 312.845 2.421 10 0 DEAERO CC(C)C[C@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000185544421 402360231 /nfs/dbraw/zinc/36/02/31/402360231.db2.gz NOBDLZMABKDDOS-XNHLSEOASA-N 1 0 321.509 2.438 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCOc1ccccc1OC ZINC000177026222 402360944 /nfs/dbraw/zinc/36/09/44/402360944.db2.gz OTWDSFLSIJTJLB-OAHLLOKOSA-N 1 0 320.433 2.407 10 0 DEAERO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000234850500 402361684 /nfs/dbraw/zinc/36/16/84/402361684.db2.gz YMGLCSLLSWCIRV-YWPYICTPSA-N 1 0 301.814 2.403 10 0 DEAERO CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000185905127 402387941 /nfs/dbraw/zinc/38/79/41/402387941.db2.gz AUZNZNMXBAOCLN-BZSNNMDCSA-N 1 0 316.445 2.162 10 0 DEAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(C(N)=O)cc1 ZINC000185704457 402370338 /nfs/dbraw/zinc/37/03/38/402370338.db2.gz FXUJHQSUDBKJCA-ZDUSSCGKSA-N 1 0 318.421 2.172 10 0 DEAERO C[C@@H](c1ccccn1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000177151190 402375728 /nfs/dbraw/zinc/37/57/28/402375728.db2.gz RYOZZXYBFHETRT-IRXDYDNUSA-N 1 0 302.466 2.245 10 0 DEAERO C[C@H](c1ccccn1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000177151237 402375936 /nfs/dbraw/zinc/37/59/36/402375936.db2.gz RYOZZXYBFHETRT-IAGOWNOFSA-N 1 0 302.466 2.245 10 0 DEAERO Fc1ccccc1-c1cnc(CN2CCO[C@]3(CCOC3)C2)o1 ZINC000185215922 402335269 /nfs/dbraw/zinc/33/52/69/402335269.db2.gz PRHYEJXBZQDKRZ-QGZVFWFLSA-N 1 0 318.348 2.472 10 0 DEAERO COC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000228641917 402339275 /nfs/dbraw/zinc/33/92/75/402339275.db2.gz QIQFAJBSYNSQKS-ZANVPECISA-N 1 0 316.195 2.024 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000161654147 402394686 /nfs/dbraw/zinc/39/46/86/402394686.db2.gz MNQAETYDYINJGW-VXGBXAGGSA-N 1 0 310.344 2.314 10 0 DEAERO C[NH2+]C1CCN(C(=O)Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000237117169 402395495 /nfs/dbraw/zinc/39/54/95/402395495.db2.gz XFFZBZPIHCUZOT-UHFFFAOYSA-N 1 0 313.401 2.403 10 0 DEAERO CN1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000237143720 402396973 /nfs/dbraw/zinc/39/69/73/402396973.db2.gz FYXMTPWZNDVDTC-CVEARBPZSA-N 1 0 321.852 2.201 10 0 DEAERO Cc1cc(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1C(C)(C)C ZINC000237222434 402400103 /nfs/dbraw/zinc/40/01/03/402400103.db2.gz WYLYATAYIJOVTO-PBWFPOADSA-N 1 0 304.438 2.302 10 0 DEAERO COC(=O)c1ccc(N(C)CC[C@H]2CCCC[N@@H+]2C)nc1OC ZINC000186091725 402400291 /nfs/dbraw/zinc/40/02/91/402400291.db2.gz JBJQZDSKQVBQGM-CYBMUJFWSA-N 1 0 321.421 2.187 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1)[NH+](C)C ZINC000161858822 402401863 /nfs/dbraw/zinc/40/18/63/402401863.db2.gz OABXDNADDOXNDF-CQSZACIVSA-N 1 0 301.394 2.449 10 0 DEAERO COc1cccc(F)c1[C@H](C)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237288177 402402463 /nfs/dbraw/zinc/40/24/63/402402463.db2.gz FWEMQZKWKBMAOT-WDEREUQCSA-N 1 0 312.410 2.107 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000163440059 402449821 /nfs/dbraw/zinc/44/98/21/402449821.db2.gz JNFFOEVKVIXLJD-DZGCQCFKSA-N 1 0 306.406 2.177 10 0 DEAERO COc1ccc(OC)c(CCC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000237374261 402406399 /nfs/dbraw/zinc/40/63/99/402406399.db2.gz CLQUXHHPUIZRKZ-YIONKMFJSA-N 1 0 318.417 2.036 10 0 DEAERO COC(=O)c1ccc(NC[C@H]2CC[N@H+](CC(C)C)C2)nc1OC ZINC000186168477 402407291 /nfs/dbraw/zinc/40/72/91/402407291.db2.gz BXBBLSFWRZELIW-CYBMUJFWSA-N 1 0 321.421 2.267 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000177535843 402413821 /nfs/dbraw/zinc/41/38/21/402413821.db2.gz OMUOEYJFHPFNOT-WFASDCNBSA-N 1 0 322.453 2.348 10 0 DEAERO Cc1nc(C)c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)nc1C ZINC000186293245 402418188 /nfs/dbraw/zinc/41/81/88/402418188.db2.gz OVQXQXRRGXJRPU-GFCCVEGCSA-N 1 0 304.438 2.396 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cn(C)nc2C)C12CCOCC2 ZINC000186319569 402420977 /nfs/dbraw/zinc/42/09/77/402420977.db2.gz UTLRUBNYHOLKCU-VBNZEHGJSA-N 1 0 307.438 2.353 10 0 DEAERO Cc1cc(OCC(=O)N2CC[C@@H]([NH+](C)C)C2)cc(C)c1Cl ZINC000162593746 402425818 /nfs/dbraw/zinc/42/58/18/402425818.db2.gz SETPHJJGIWPFJE-CYBMUJFWSA-N 1 0 310.825 2.498 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000186371577 402426335 /nfs/dbraw/zinc/42/63/35/402426335.db2.gz PFDGQBQBYKXBAB-UHFFFAOYSA-N 1 0 313.357 2.149 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186394780 402428169 /nfs/dbraw/zinc/42/81/69/402428169.db2.gz OJWVBZINBUZIFJ-KRWDZBQOSA-N 1 0 309.406 2.209 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000237971648 402429162 /nfs/dbraw/zinc/42/91/62/402429162.db2.gz HRYQCUUFLKTCMU-NXEZZACHSA-N 1 0 317.311 2.479 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000177711959 402429581 /nfs/dbraw/zinc/42/95/81/402429581.db2.gz IMIKKZRYASJOOG-AWEZNQCLSA-N 1 0 316.401 2.415 10 0 DEAERO c1ccc(OCc2n[nH]c(C[NH2+][C@H]3CCCSC3)n2)cc1 ZINC000186421578 402429964 /nfs/dbraw/zinc/42/99/64/402429964.db2.gz XUUUXFUCPNVSBC-LBPRGKRZSA-N 1 0 304.419 2.369 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1 ZINC000237988473 402430394 /nfs/dbraw/zinc/43/03/94/402430394.db2.gz CMTSODYPSWUCOE-UONOGXRCSA-N 1 0 312.417 2.396 10 0 DEAERO COC(=O)c1oc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1C ZINC000177737881 402431438 /nfs/dbraw/zinc/43/14/38/402431438.db2.gz SGOCTVOVJZHPQM-CQSZACIVSA-N 1 0 316.357 2.423 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000177767592 402434215 /nfs/dbraw/zinc/43/42/15/402434215.db2.gz BLHQCZTXTCNYDQ-KZNAEPCWSA-N 1 0 319.493 2.338 10 0 DEAERO C[C@H](C(=O)N1CCC[C@@H]1Cn1ccnc1)[NH+]1CCCCCC1 ZINC000177774982 402434883 /nfs/dbraw/zinc/43/48/83/402434883.db2.gz PKJXOAYEXUPHLF-HZPDHXFCSA-N 1 0 304.438 2.139 10 0 DEAERO CC(=O)Nc1ccc(F)c(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186546985 402440589 /nfs/dbraw/zinc/44/05/89/402440589.db2.gz AULXGQPVYGTFSD-CYBMUJFWSA-N 1 0 319.380 2.141 10 0 DEAERO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCOC2)c(OC)c1 ZINC000177928132 402444552 /nfs/dbraw/zinc/44/45/52/402444552.db2.gz LJWKJSZJBRRZOF-CHWSQXEVSA-N 1 0 322.405 2.190 10 0 DEAERO Cc1nc(C[C@H]2CCCN(CC[NH+]3CCC(C)CC3)C2)no1 ZINC000178011632 402452181 /nfs/dbraw/zinc/45/21/81/402452181.db2.gz IPLHPMTWZMJKKP-MRXNPFEDSA-N 1 0 306.454 2.364 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1cccc(F)c1 ZINC000177315417 402390624 /nfs/dbraw/zinc/39/06/24/402390624.db2.gz HCHOTSKTYPPXHS-MRXNPFEDSA-N 1 0 307.413 2.494 10 0 DEAERO CCC[C@H](C(=O)Nc1cc(C(=O)NCC)ccc1C)[NH+](C)C ZINC000161608701 402393192 /nfs/dbraw/zinc/39/31/92/402393192.db2.gz IHBUOHOYXLWSFE-OAHLLOKOSA-N 1 0 305.422 2.414 10 0 DEAERO C[NH2+]C1CCN(C(=O)[C@H](C)Oc2ccc(SC)cc2)CC1 ZINC000237082874 402394254 /nfs/dbraw/zinc/39/42/54/402394254.db2.gz FYTZGWCDTCSBNA-LBPRGKRZSA-N 1 0 308.447 2.386 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)NCc1ccc(Cl)cc1 ZINC000246165383 402514447 /nfs/dbraw/zinc/51/44/47/402514447.db2.gz IKAZRZXLTCHXFG-INIZCTEOSA-N 1 0 321.852 2.126 10 0 DEAERO COC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)C1CCOCC1 ZINC000187740037 402510288 /nfs/dbraw/zinc/51/02/88/402510288.db2.gz SWMYKCBKGDNLRZ-GOSISDBHSA-N 1 0 315.417 2.404 10 0 DEAERO COCCN(CC[NH+](C)C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000163845569 402458439 /nfs/dbraw/zinc/45/84/39/402458439.db2.gz GLLSWRMMCPUKKZ-UHFFFAOYSA-N 1 0 317.433 2.435 10 0 DEAERO C[C@H](CCNC(=O)N[C@@H](C)[C@H](C)CO)[N@H+](C)Cc1ccccc1 ZINC000245431595 402460411 /nfs/dbraw/zinc/46/04/11/402460411.db2.gz NEAMEWHBWRQWGI-OAGGEKHMSA-N 1 0 321.465 2.213 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccccc2F)[C@@H](C)C1 ZINC000245431072 402460419 /nfs/dbraw/zinc/46/04/19/402460419.db2.gz NWTUEODVQXLOIN-YOEHRIQHSA-N 1 0 321.440 2.104 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCOCc1ccccc1 ZINC000245459645 402462458 /nfs/dbraw/zinc/46/24/58/402462458.db2.gz DQHLCXOCAZQBPA-RDJZCZTQSA-N 1 0 317.433 2.081 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](COC)c1ccco1 ZINC000245463361 402463210 /nfs/dbraw/zinc/46/32/10/402463210.db2.gz HEAIIMPCXZJNKM-ZIAGYGMSSA-N 1 0 309.410 2.093 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1cc(F)ccc1F ZINC000245476199 402464822 /nfs/dbraw/zinc/46/48/22/402464822.db2.gz SPPVOHVBRBDERE-DOMZBBRYSA-N 1 0 323.387 2.385 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C)n1 ZINC000246165681 402514547 /nfs/dbraw/zinc/51/45/47/402514547.db2.gz KZHWYGIVJPWHBJ-HOTGVXAUSA-N 1 0 302.422 2.158 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)c1cnc(Cl)cn1)c1ccccc1 ZINC000178161956 402466835 /nfs/dbraw/zinc/46/68/35/402466835.db2.gz VKLXODWTKFUEPY-ZDUSSCGKSA-N 1 0 304.781 2.163 10 0 DEAERO COC(=O)c1nc(N2CC[C@H]([NH+]3CCCCC3)C2)sc1C ZINC000164669535 402467200 /nfs/dbraw/zinc/46/72/00/402467200.db2.gz WJUXJOHNVDXKTH-LBPRGKRZSA-N 1 0 309.435 2.303 10 0 DEAERO COC[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000245543809 402469448 /nfs/dbraw/zinc/46/94/48/402469448.db2.gz RFYXOFGLFFLLTN-RRFJBIMHSA-N 1 0 313.463 2.424 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246142637 402512554 /nfs/dbraw/zinc/51/25/54/402512554.db2.gz DVICQXBLWDNBMY-JSGCOSHPSA-N 1 0 323.387 2.462 10 0 DEAERO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C)n1 ZINC000245563907 402471565 /nfs/dbraw/zinc/47/15/65/402471565.db2.gz NMDVTPAIZLBNLM-SJORKVTESA-N 1 0 310.401 2.269 10 0 DEAERO CCOc1ccc2cc(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)[nH]c2c1 ZINC000186933554 402471899 /nfs/dbraw/zinc/47/18/99/402471899.db2.gz UQMLPMJHILXOLU-NWANDNLSSA-N 1 0 313.401 2.376 10 0 DEAERO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@@H]1CCCO1 ZINC000245663913 402477863 /nfs/dbraw/zinc/47/78/63/402477863.db2.gz QJLDXNWFMCGZPZ-ORQFMDKSSA-N 1 0 317.433 2.299 10 0 DEAERO Cc1nccnc1[C@@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000187915133 402512951 /nfs/dbraw/zinc/51/29/51/402512951.db2.gz WZMTWHNGESGSRI-LLVKDONJSA-N 1 0 302.344 2.462 10 0 DEAERO [NH3+]CC1(c2nc(Cc3ccc(Cl)cc3)no2)CCOCC1 ZINC000166099359 402481416 /nfs/dbraw/zinc/48/14/16/402481416.db2.gz GFNSTVRDKVKDCG-UHFFFAOYSA-N 1 0 307.781 2.321 10 0 DEAERO CN1CC[C@@H](NC(=O)NCC(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000245707279 402481581 /nfs/dbraw/zinc/48/15/81/402481581.db2.gz SEAVIOFWUZUXSW-DGCLKSJQSA-N 1 0 319.302 2.274 10 0 DEAERO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246152646 402513135 /nfs/dbraw/zinc/51/31/35/402513135.db2.gz GOWNOVGIXUSFGY-YVSFHVDLSA-N 1 0 307.482 2.050 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccccc21 ZINC000178332615 402485670 /nfs/dbraw/zinc/48/56/70/402485670.db2.gz JCEUHVKZOVULCL-KRWDZBQOSA-N 1 0 324.428 2.245 10 0 DEAERO CCc1ccc([C@H](CNC(=O)CCCCC(N)=O)[NH+](C)C)cc1 ZINC000187178578 402486475 /nfs/dbraw/zinc/48/64/75/402486475.db2.gz FORUUZWFSAAKSH-INIZCTEOSA-N 1 0 319.449 2.014 10 0 DEAERO O=C(c1ccccc1)N1CCC[N@@H+]([C@H]2CCCC[C@H]2O)CC1 ZINC000245802951 402489029 /nfs/dbraw/zinc/48/90/29/402489029.db2.gz BCAXQNPHLMWNIC-DLBZAZTESA-N 1 0 302.418 2.138 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2nc3ccccc3[nH]2)C[C@H]1C ZINC000245813328 402490018 /nfs/dbraw/zinc/49/00/18/402490018.db2.gz ZSOWFMHQSRJXIH-CQSZACIVSA-N 1 0 302.422 2.106 10 0 DEAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCS[C@@H](C)C1 ZINC000245837085 402490367 /nfs/dbraw/zinc/49/03/67/402490367.db2.gz WMCSWWFYTNBWGT-XGUBFFRZSA-N 1 0 313.511 2.500 10 0 DEAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCS[C@@H](C)C1 ZINC000245837073 402490882 /nfs/dbraw/zinc/49/08/82/402490882.db2.gz WMCSWWFYTNBWGT-BARDWOONSA-N 1 0 313.511 2.500 10 0 DEAERO Cc1cc(N2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)n[nH]1 ZINC000187272952 402490927 /nfs/dbraw/zinc/49/09/27/402490927.db2.gz DTOLNZDVCLGZTM-UHFFFAOYSA-N 1 0 322.416 2.226 10 0 DEAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCCc2ccccn2)C1 ZINC000178403084 402494606 /nfs/dbraw/zinc/49/46/06/402494606.db2.gz OSYJFQORNUMZPD-INIZCTEOSA-N 1 0 318.465 2.291 10 0 DEAERO C[C@]1(O)CCC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000245895053 402495517 /nfs/dbraw/zinc/49/55/17/402495517.db2.gz KFQDGPQRDQHEMX-CVEARBPZSA-N 1 0 313.825 2.064 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000245905430 402496144 /nfs/dbraw/zinc/49/61/44/402496144.db2.gz OKSVZAXOGYDALR-CJNGLKHVSA-N 1 0 314.433 2.379 10 0 DEAERO CC(C)c1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc(=O)[nH]1 ZINC000245917778 402496890 /nfs/dbraw/zinc/49/68/90/402496890.db2.gz XABPWDVAQODQDL-IUODEOHRSA-N 1 0 305.422 2.369 10 0 DEAERO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000245961691 402501011 /nfs/dbraw/zinc/50/10/11/402501011.db2.gz MRBVBYLVGCDDQC-ZBFHGGJFSA-N 1 0 319.453 2.378 10 0 DEAERO CN(C[C@H]1CCCC[C@H]1O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000245969963 402501711 /nfs/dbraw/zinc/50/17/11/402501711.db2.gz NWCNTFJPBTZJHL-AKBNIOSXSA-N 1 0 323.481 2.194 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000246014500 402503600 /nfs/dbraw/zinc/50/36/00/402503600.db2.gz LMZDJDKLISRMSK-DAXOMENPSA-N 1 0 315.417 2.057 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC[C@@H]1C ZINC000187524111 402503602 /nfs/dbraw/zinc/50/36/02/402503602.db2.gz PAFHNRGQJPDBBW-YHUYYLMFSA-N 1 0 311.470 2.173 10 0 DEAERO CO[C@@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[C@@H]1C ZINC000187540379 402504168 /nfs/dbraw/zinc/50/41/68/402504168.db2.gz UVCRLQGKXJFOSB-ZNMIVQPWSA-N 1 0 313.486 2.419 10 0 DEAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCO2)C1 ZINC000246040297 402504934 /nfs/dbraw/zinc/50/49/34/402504934.db2.gz XQTWEOOCDPDBIC-LSDHHAIUSA-N 1 0 311.470 2.317 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000246039489 402505000 /nfs/dbraw/zinc/50/50/00/402505000.db2.gz AITHCEPBOBRTBW-KKUMJFAQSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)[N@@H+]1CCc2ccccc2C1 ZINC000246047294 402505472 /nfs/dbraw/zinc/50/54/72/402505472.db2.gz PQKYYHDJYUBCTN-VBQJREDUSA-N 1 0 302.418 2.117 10 0 DEAERO O=C(CSCc1cscn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178516207 402506371 /nfs/dbraw/zinc/50/63/71/402506371.db2.gz RDZOSUYALCMRCF-UHFFFAOYSA-N 1 0 311.476 2.073 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCOc2ccccc2)C1 ZINC000246063080 402506700 /nfs/dbraw/zinc/50/67/00/402506700.db2.gz ZGSTZRZCRUQIEN-DOTOQJQBSA-N 1 0 317.433 2.191 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000178524144 402507344 /nfs/dbraw/zinc/50/73/44/402507344.db2.gz OEKAVKGKOISMCY-PMPSAXMXSA-N 1 0 304.438 2.004 10 0 DEAERO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)CCCCC(N)=O ZINC000187663504 402507687 /nfs/dbraw/zinc/50/76/87/402507687.db2.gz LEAARTOVMVFLEJ-UHFFFAOYSA-N 1 0 319.449 2.059 10 0 DEAERO Cc1c(O)ccc2c(C[N@H+](C)C[C@@H]3CCCO3)cc(=O)oc12 ZINC000170688118 402514388 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ZINC000183708415 402791050 /nfs/dbraw/zinc/79/10/50/402791050.db2.gz ANNGBUNIQRVHHR-ZIAGYGMSSA-N 1 0 320.437 2.155 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000194317769 402792446 /nfs/dbraw/zinc/79/24/46/402792446.db2.gz MRBMXXHNNCLBEO-GFCCVEGCSA-N 1 0 307.394 2.310 10 0 DEAERO O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195330540 402842156 /nfs/dbraw/zinc/84/21/56/402842156.db2.gz FGOMKCFGCJCGGE-AWEZNQCLSA-N 1 0 314.364 2.136 10 0 DEAERO CCNC(=O)CC[N@H+](CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183759091 402795276 /nfs/dbraw/zinc/79/52/76/402795276.db2.gz KDAOGTCRDZWUDU-QGZVFWFLSA-N 1 0 303.450 2.109 10 0 DEAERO CC(C)(C)n1nc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1C1CC1 ZINC000195334124 402842446 /nfs/dbraw/zinc/84/24/46/402842446.db2.gz FIBHAXPBTCAFKI-AWEZNQCLSA-N 1 0 316.449 2.436 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000175370046 402800874 /nfs/dbraw/zinc/80/08/74/402800874.db2.gz RCSRJDHIHABVIL-IAGOWNOFSA-N 1 0 322.497 2.131 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000195334056 402842565 /nfs/dbraw/zinc/84/25/65/402842565.db2.gz GPDXHMUNKWLWLR-KRWDZBQOSA-N 1 0 310.401 2.101 10 0 DEAERO CCN(Cc1ccc(OC)cc1OC)C[C@@H](O)C(F)(F)F ZINC000183930734 402805945 /nfs/dbraw/zinc/80/59/45/402805945.db2.gz LHYROTYCKMEJTD-CYBMUJFWSA-N 1 0 307.312 2.449 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N(C)C)cc1 ZINC000175437093 402806501 /nfs/dbraw/zinc/80/65/01/402806501.db2.gz IRXYQCYTFMZEDP-NVXWUHKLSA-N 1 0 301.434 2.451 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c(C)nn(CC(C)C)c2C)C1 ZINC000194641795 402807501 /nfs/dbraw/zinc/80/75/01/402807501.db2.gz LYOCYBAEVDSNMM-MRXNPFEDSA-N 1 0 320.481 2.299 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000175477613 402810204 /nfs/dbraw/zinc/81/02/04/402810204.db2.gz UEXPJVUMXGSFIZ-OAHLLOKOSA-N 1 0 321.469 2.070 10 0 DEAERO CC(C)CC[NH+]1CCC(CNC(=O)NCC2(C)COC2)CC1 ZINC000175533496 402815380 /nfs/dbraw/zinc/81/53/80/402815380.db2.gz QCZHGGPRMLEZNY-UHFFFAOYSA-N 1 0 311.470 2.080 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2)c1 ZINC000195054428 402828842 /nfs/dbraw/zinc/82/88/42/402828842.db2.gz CMOIUFIRRPYZSI-SFHVURJKSA-N 1 0 324.428 2.491 10 0 DEAERO O=C(c1cc2ccccc2oc1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195095016 402831126 /nfs/dbraw/zinc/83/11/26/402831126.db2.gz FZYUHFYPAXCYER-CQSZACIVSA-N 1 0 312.369 2.103 10 0 DEAERO O=C(COc1ccccc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195094200 402831245 /nfs/dbraw/zinc/83/12/45/402831245.db2.gz BQGAGAGIEMKJLH-CYBMUJFWSA-N 1 0 308.809 2.416 10 0 DEAERO O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195095981 402831723 /nfs/dbraw/zinc/83/17/23/402831723.db2.gz CPCGRXWMPFWMOW-KEDPEKRHSA-N 1 0 314.385 2.125 10 0 DEAERO CCSCc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)no1 ZINC000184278634 402832471 /nfs/dbraw/zinc/83/24/71/402832471.db2.gz GTLIMPQEKLSGSL-UHFFFAOYSA-N 1 0 309.435 2.238 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCOC1 ZINC000175834723 402836959 /nfs/dbraw/zinc/83/69/59/402836959.db2.gz CCHKUCRVYZONLZ-IRXDYDNUSA-N 1 0 304.434 2.092 10 0 DEAERO C[C@H]1COCC[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000194068983 402783242 /nfs/dbraw/zinc/78/32/42/402783242.db2.gz RNTMACNLDIFSID-BBRMVZONSA-N 1 0 306.406 2.238 10 0 DEAERO CNC(=O)[C@@H]([NH2+]Cc1sc(C)nc1C(F)(F)F)C(C)C ZINC000183643928 402784771 /nfs/dbraw/zinc/78/47/71/402784771.db2.gz VWGKSWJITMBRAK-VIFPVBQESA-N 1 0 309.357 2.331 10 0 DEAERO Cc1nc2ccccc2nc1C[NH+]1CCC(n2cncn2)CC1 ZINC000195436828 402845778 /nfs/dbraw/zinc/84/57/78/402845778.db2.gz VCUYTCAAVPLKJB-UHFFFAOYSA-N 1 0 308.389 2.367 10 0 DEAERO CCC[C@H](C)CC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000176003857 402847169 /nfs/dbraw/zinc/84/71/69/402847169.db2.gz KKJAMYVOKIQCLD-IRXDYDNUSA-N 1 0 309.498 2.441 10 0 DEAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC000176005518 402847360 /nfs/dbraw/zinc/84/73/60/402847360.db2.gz TXIYZVDLQYDWTR-OAHLLOKOSA-N 1 0 321.509 2.297 10 0 DEAERO CCn1cc(C2CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC2)cn1 ZINC000195499478 402847581 /nfs/dbraw/zinc/84/75/81/402847581.db2.gz DNLQREHMQXKCBQ-AWEZNQCLSA-N 1 0 306.454 2.243 10 0 DEAERO C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195513267 402848648 /nfs/dbraw/zinc/84/86/48/402848648.db2.gz CPPMDZMTKVRURB-CQSZACIVSA-N 1 0 304.438 2.001 10 0 DEAERO Cc1cc2c(cc1C)[C@H](C(=O)N1C[C@H]3CCC[N@H+]3C[C@@H]1C)CO2 ZINC000184525573 402849219 /nfs/dbraw/zinc/84/92/19/402849219.db2.gz VCUYQHFILUWAAI-ZMSDIMECSA-N 1 0 314.429 2.475 10 0 DEAERO CCSCc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)no1 ZINC000184525379 402849391 /nfs/dbraw/zinc/84/93/91/402849391.db2.gz JWNBECQEXRELDZ-RYUDHWBXSA-N 1 0 309.435 2.236 10 0 DEAERO CC(C)[C@H](C)CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176045709 402850244 /nfs/dbraw/zinc/85/02/44/402850244.db2.gz SNECQFRVVXSDJH-GFCCVEGCSA-N 1 0 320.437 2.261 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2)C12CCOCC2 ZINC000274428620 403054499 /nfs/dbraw/zinc/05/44/99/403054499.db2.gz JNLJITDDJNDKLH-GVDBMIGSSA-N 1 0 305.418 2.284 10 0 DEAERO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NCc1ccccc1 ZINC000281310460 403063379 /nfs/dbraw/zinc/06/33/79/403063379.db2.gz HZQSIGBWJQPRFL-KSZLIROESA-N 1 0 316.445 2.318 10 0 DEAERO Brc1ccnc(NCCCC[NH+]2CCOCC2)c1 ZINC000274628102 403073172 /nfs/dbraw/zinc/07/31/72/403073172.db2.gz BEURCMKQUYJPNC-UHFFFAOYSA-N 1 0 314.227 2.368 10 0 DEAERO Cc1nc2cccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2[nH]1 ZINC000283824726 403226562 /nfs/dbraw/zinc/22/65/62/403226562.db2.gz FMVHJQXYOAHWLN-YPMHNXCESA-N 1 0 300.406 2.426 10 0 DEAERO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1C1CC1 ZINC000270398989 403187692 /nfs/dbraw/zinc/18/76/92/403187692.db2.gz CBYUIKOFNJJNGM-AEFFLSMTSA-N 1 0 324.428 2.473 10 0 DEAERO CC(=O)[C@@](C)(O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000331297630 403372747 /nfs/dbraw/zinc/37/27/47/403372747.db2.gz DAIOSOHKPMTSPQ-KRWDZBQOSA-N 1 0 307.365 2.060 10 0 DEAERO O=C(NCC[NH+]1CCCCC1)c1coc(Br)c1 ZINC000298488702 403394175 /nfs/dbraw/zinc/39/41/75/403394175.db2.gz BQQRYKKADFPAAA-UHFFFAOYSA-N 1 0 301.184 2.258 10 0 DEAERO c1ccc2c(c1)ncnc2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000298713345 403446198 /nfs/dbraw/zinc/44/61/98/403446198.db2.gz LHBDDWLBZJBQLX-UHFFFAOYSA-N 1 0 312.417 2.178 10 0 DEAERO CCn1cc(CC[N@@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)cn1 ZINC000286380637 403513001 /nfs/dbraw/zinc/51/30/01/403513001.db2.gz ZBZCBGAZMGWCCM-SJORKVTESA-N 1 0 303.381 2.393 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299924032 403580545 /nfs/dbraw/zinc/58/05/45/403580545.db2.gz YJUYYZHFOPUEJW-WCQYABFASA-N 1 0 314.838 2.021 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000343512709 403618391 /nfs/dbraw/zinc/61/83/91/403618391.db2.gz NEASBKMTLVPJDE-WFASDCNBSA-N 1 0 318.421 2.274 10 0 DEAERO CNC(=O)c1cccnc1NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000301364581 403620748 /nfs/dbraw/zinc/62/07/48/403620748.db2.gz NEGOUBSPZYQZRW-CQSZACIVSA-N 1 0 304.438 2.365 10 0 DEAERO Cc1ccc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)c2n[nH]cc21 ZINC000333092291 403664179 /nfs/dbraw/zinc/66/41/79/403664179.db2.gz CPBQYKBUEIGDCQ-UHFFFAOYSA-N 1 0 313.405 2.479 10 0 DEAERO Cc1nn(C)c2cc(NC(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)ccc12 ZINC000333258763 403708935 /nfs/dbraw/zinc/70/89/35/403708935.db2.gz DOXVSFHNNZRHOS-YPMHNXCESA-N 1 0 315.421 2.391 10 0 DEAERO Cc1nn(C)c2cc(NC(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)ccc12 ZINC000333258762 403709196 /nfs/dbraw/zinc/70/91/96/403709196.db2.gz DOXVSFHNNZRHOS-WCQYABFASA-N 1 0 315.421 2.391 10 0 DEAERO c1ccc([C@@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@H]2CCOC2)cc1 ZINC000343582444 403649340 /nfs/dbraw/zinc/64/93/40/403649340.db2.gz PIEAJWPZBNMVRX-INDMIFKZSA-N 1 0 316.445 2.217 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000333278813 403714312 /nfs/dbraw/zinc/71/43/12/403714312.db2.gz HFCIIWRCFUGAAF-IVMMDQJWSA-N 1 0 303.406 2.310 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000333515402 403770904 /nfs/dbraw/zinc/77/09/04/403770904.db2.gz GBLKUHFNCPFBKB-UIBBOPPKSA-N 1 0 305.397 2.369 10 0 DEAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CCO[C@H](C2CC2)C1 ZINC000333342186 403729821 /nfs/dbraw/zinc/72/98/21/403729821.db2.gz PWLZDALRAYFLEW-HNNXBMFYSA-N 1 0 319.380 2.114 10 0 DEAERO COc1cc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)ccn1 ZINC000333409999 403745820 /nfs/dbraw/zinc/74/58/20/403745820.db2.gz ZTDPSFDHWPLSFD-UHFFFAOYSA-N 1 0 304.394 2.088 10 0 DEAERO O=C(N[C@@H]1CCCN(c2ccccc2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333440362 403752136 /nfs/dbraw/zinc/75/21/36/403752136.db2.gz WAPZRUTVBVXCSV-JKSUJKDBSA-N 1 0 316.449 2.097 10 0 DEAERO O=C(N[C@H](c1cccnc1)C1CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333476217 403760638 /nfs/dbraw/zinc/76/06/38/403760638.db2.gz AYLIOJZEYVUHHA-INIZCTEOSA-N 1 0 314.433 2.318 10 0 DEAERO CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCc3nnnn3CC1)CCC2 ZINC000333709147 403826982 /nfs/dbraw/zinc/82/69/82/403826982.db2.gz IDFCVVGYEQSNHA-MNOVXSKESA-N 1 0 318.450 2.064 10 0 DEAERO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H](c2ccc(F)cc2)O1 ZINC000333721817 403831510 /nfs/dbraw/zinc/83/15/10/403831510.db2.gz UTPKBZMZYRJOEN-UHOFOFEASA-N 1 0 321.396 2.049 10 0 DEAERO CN1C(=O)CC[C@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1=O ZINC000333619413 403794683 /nfs/dbraw/zinc/79/46/83/403794683.db2.gz TYIZMUZIYQBNHE-KBPBESRZSA-N 1 0 314.385 2.170 10 0 DEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000333629942 403797145 /nfs/dbraw/zinc/79/71/45/403797145.db2.gz GKXHBVPWBPWVSM-RBSFLKMASA-N 1 0 309.454 2.118 10 0 DEAERO Cc1cncc(-c2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)no2)c1 ZINC000333635895 403799346 /nfs/dbraw/zinc/79/93/46/403799346.db2.gz BCEUDWBCEJHPQK-OAHLLOKOSA-N 1 0 313.405 2.110 10 0 DEAERO O=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@@H]1CCCC[NH2+]C1 ZINC000333733709 403837844 /nfs/dbraw/zinc/83/78/44/403837844.db2.gz WOAYQTWKMIBJRJ-LLVKDONJSA-N 1 0 320.817 2.041 10 0 DEAERO CN(C[C@H]1OCCc2ccccc21)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333777346 403856368 /nfs/dbraw/zinc/85/63/68/403856368.db2.gz DCXBZOXKVHJMLU-NVXWUHKLSA-N 1 0 317.433 2.084 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000333781703 403859731 /nfs/dbraw/zinc/85/97/31/403859731.db2.gz DVAJFQDBEFKPOA-OWCLPIDISA-N 1 0 323.481 2.365 10 0 DEAERO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333798564 403864474 /nfs/dbraw/zinc/86/44/74/403864474.db2.gz HJOVMONUHMCCHK-ZIAGYGMSSA-N 1 0 305.426 2.015 10 0 DEAERO C[C@H](NC(=O)N[C@H]1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000333821237 403874517 /nfs/dbraw/zinc/87/45/17/403874517.db2.gz RETYRSFFKWDPJO-JQFCIGGWSA-N 1 0 301.434 2.231 10 0 DEAERO [NH3+]C[C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCCO1 ZINC000313332998 403980819 /nfs/dbraw/zinc/98/08/19/403980819.db2.gz DFOASIZBJDXCMO-SECBINFHSA-N 1 0 309.719 2.308 10 0 DEAERO CCC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000295948822 404024446 /nfs/dbraw/zinc/02/44/46/404024446.db2.gz LQDKVSRUVDVUGG-HZPDHXFCSA-N 1 0 319.449 2.296 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000323741774 404094915 /nfs/dbraw/zinc/09/49/15/404094915.db2.gz YAWHNBPLNSYYRU-RVKKMQEKSA-N 1 0 316.401 2.360 10 0 DEAERO c1ccc([C@H]2[N@H+](C[C@@H]3COCCO3)CC23CCOCC3)cc1 ZINC000412014883 404057919 /nfs/dbraw/zinc/05/79/19/404057919.db2.gz RLAWGKNMSZOYTK-IAGOWNOFSA-N 1 0 303.402 2.256 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N1CCCCCC1 ZINC000328844984 404162174 /nfs/dbraw/zinc/16/21/74/404162174.db2.gz RJVKKTPDCSNLNX-BJJXKVORSA-N 1 0 307.438 2.265 10 0 DEAERO C/C(=C\C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(F)c1 ZINC000363515341 404171373 /nfs/dbraw/zinc/17/13/73/404171373.db2.gz FSZKSUUWFXVWGL-UTTIPUOZSA-N 1 0 318.392 2.208 10 0 DEAERO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000329016002 404200460 /nfs/dbraw/zinc/20/04/60/404200460.db2.gz KCCWMECKHVHEQH-LUXYFRNMSA-N 1 0 318.465 2.496 10 0 DEAERO C[C@@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1CCCCO1 ZINC000369856379 404250358 /nfs/dbraw/zinc/25/03/58/404250358.db2.gz NCFVBVCKCNYMDS-PRLABOORSA-N 1 0 309.454 2.260 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000364241839 404330310 /nfs/dbraw/zinc/33/03/10/404330310.db2.gz HRKQPGIQYPLVBV-JSGCOSHPSA-N 1 0 302.374 2.114 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)CC2 ZINC000370153385 404351631 /nfs/dbraw/zinc/35/16/31/404351631.db2.gz YTYJDBUGXYEMON-LBPRGKRZSA-N 1 0 306.454 2.094 10 0 DEAERO O=C(C[N@@H+]1CCCC12CCC2)NC(=O)NCc1cccs1 ZINC000373103470 404527982 /nfs/dbraw/zinc/52/79/82/404527982.db2.gz GSURFUJLLAFIGQ-UHFFFAOYSA-N 1 0 307.419 2.092 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CCC[C@@H]2C)CC(=O)N1C ZINC000330199460 404583633 /nfs/dbraw/zinc/58/36/33/404583633.db2.gz VMGVDYZUPJCELE-NBCLGQJJSA-N 1 0 304.438 2.087 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000373984676 404660866 /nfs/dbraw/zinc/66/08/66/404660866.db2.gz FZPZLYAOVXCEGV-INIZCTEOSA-N 1 0 321.469 2.389 10 0 DEAERO Cc1nc([C@H](C)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)no1 ZINC000330251723 404601232 /nfs/dbraw/zinc/60/12/32/404601232.db2.gz NRIGRMXAVJHSJA-MCIONIFRSA-N 1 0 322.453 2.260 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000373843885 404612175 /nfs/dbraw/zinc/61/21/75/404612175.db2.gz MVGSKSLBZLRURI-AWEZNQCLSA-N 1 0 319.453 2.493 10 0 DEAERO O=C(C[N@H+]1CCCC[C@@H](CO)C1)N(Cc1ccccc1)C1CC1 ZINC000374038020 404675455 /nfs/dbraw/zinc/67/54/55/404675455.db2.gz MNUADBWCSMYHNT-QGZVFWFLSA-N 1 0 316.445 2.272 10 0 DEAERO COc1ccccc1N1CCC[C@H]([NH2+]Cc2c(C)cnn2C)C1 ZINC000375770080 404743163 /nfs/dbraw/zinc/74/31/63/404743163.db2.gz SDEBFHZZMYGLQZ-HNNXBMFYSA-N 1 0 314.433 2.496 10 0 DEAERO C[C@H]1OCC[C@]12CN(Cc1ccc(-c3cc[nH]n3)o1)CCO2 ZINC000366252557 404779500 /nfs/dbraw/zinc/77/95/00/404779500.db2.gz SJQGSLXOAQQIER-WBMJQRKESA-N 1 0 303.362 2.050 10 0 DEAERO C[C@H](CC[NH+](C)C)NC(=O)N1CCC(C2CCOCC2)CC1 ZINC000366570488 404817224 /nfs/dbraw/zinc/81/72/24/404817224.db2.gz FRMIGMKLQOQBFI-CQSZACIVSA-N 1 0 311.470 2.175 10 0 DEAERO CC(=O)c1ccccc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378235956 404904757 /nfs/dbraw/zinc/90/47/57/404904757.db2.gz XVGNQGVINQCKPK-WMLDXEAASA-N 1 0 300.402 2.493 10 0 DEAERO COC[C@H](O)CC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360976956 404867622 /nfs/dbraw/zinc/86/76/22/404867622.db2.gz ZHNKWEQSWXPOSQ-OAHLLOKOSA-N 1 0 309.406 2.129 10 0 DEAERO c1cc(-c2ccc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)o2)n[nH]1 ZINC000435135562 404959935 /nfs/dbraw/zinc/95/99/35/404959935.db2.gz ROWHPEMQRJOKHS-HNNXBMFYSA-N 1 0 317.389 2.440 10 0 DEAERO Cc1cc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)ccc1-n1cncn1 ZINC000378347517 404935363 /nfs/dbraw/zinc/93/53/63/404935363.db2.gz VODHHQCIVHEJAF-HNNXBMFYSA-N 1 0 323.404 2.073 10 0 DEAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2nc(C)ccc2O)C1 ZINC000378349178 404937854 /nfs/dbraw/zinc/93/78/54/404937854.db2.gz NZXMIDHFFALUCR-CYBMUJFWSA-N 1 0 301.394 2.087 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cnn2ccccc12 ZINC000378373563 404946391 /nfs/dbraw/zinc/94/63/91/404946391.db2.gz TZVFHFNUIOITCF-NJAFHUGGSA-N 1 0 314.433 2.018 10 0 DEAERO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)[nH]1 ZINC000434986635 404948648 /nfs/dbraw/zinc/94/86/48/404948648.db2.gz IEYKCCKEBPJXFW-LBPRGKRZSA-N 1 0 312.377 2.476 10 0 DEAERO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000435034427 404950971 /nfs/dbraw/zinc/95/09/71/404950971.db2.gz NEXNOEWKGWVNPT-FZKQIMNGSA-N 1 0 321.417 2.271 10 0 DEAERO CC(C)C[C@@H](C)[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000435746273 405010421 /nfs/dbraw/zinc/01/04/21/405010421.db2.gz VUAKMTAZCYZXDQ-CYBMUJFWSA-N 1 0 316.442 2.470 10 0 DEAERO C/C=C\C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000385081482 405034228 /nfs/dbraw/zinc/03/42/28/405034228.db2.gz WULSDYBXFVLIOZ-DLGQBQFBSA-N 1 0 300.196 2.355 10 0 DEAERO O[C@H](CC1CCCC1)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408041274 405096899 /nfs/dbraw/zinc/09/68/99/405096899.db2.gz BXNLTTVMFJIDFF-XMTFNYHQSA-N 1 0 311.466 2.180 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)CC(=O)c2ccccc2F)C1 ZINC000361364073 405040470 /nfs/dbraw/zinc/04/04/70/405040470.db2.gz ABSLJZCCSLYAJJ-ZIAGYGMSSA-N 1 0 320.408 2.493 10 0 DEAERO CCO[C@@H](C)c1ncc(C(=O)NC[C@@H]2CC[N@H+](CC)C2)s1 ZINC000361366083 405040819 /nfs/dbraw/zinc/04/08/19/405040819.db2.gz OJWSOQQZWAVKHX-RYUDHWBXSA-N 1 0 311.451 2.312 10 0 DEAERO Cn1nccc1C1=CC[N@H+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000367515715 405071687 /nfs/dbraw/zinc/07/16/87/405071687.db2.gz VXZGPLQAPBVSRT-QGZVFWFLSA-N 1 0 301.365 2.382 10 0 DEAERO Cn1c2ccc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)cc2oc1=O ZINC000408066788 405102482 /nfs/dbraw/zinc/10/24/82/405102482.db2.gz CRZWQEHNZXPKRU-RDTXWAMCSA-N 1 0 316.401 2.259 10 0 DEAERO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000408258433 405154638 /nfs/dbraw/zinc/15/46/38/405154638.db2.gz WWVOKHMKFSHSJU-QDMKHBRRSA-N 1 0 311.470 2.362 10 0 DEAERO C[C@H](C1CC1)n1nccc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000408345842 405180261 /nfs/dbraw/zinc/18/02/61/405180261.db2.gz NLIBADGOQKJHFY-JHJVBQTASA-N 1 0 305.426 2.410 10 0 DEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3ncc[nH]c3=O)C2)C[C@@H]1C ZINC000408397658 405195946 /nfs/dbraw/zinc/19/59/46/405195946.db2.gz VTTGPJYFHYHPDA-CBBWQLFWSA-N 1 0 304.438 2.153 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2O)CCCC3)CC[N@@H+]1C ZINC000408414993 405201793 /nfs/dbraw/zinc/20/17/93/405201793.db2.gz MTBHLELBONOMSI-TZMCWYRMSA-N 1 0 302.418 2.484 10 0 DEAERO C[C@H]1CN(c2ncnc3c2CCCCC3)CC[N@@H+]1CC(C)(C)O ZINC000408436872 405206334 /nfs/dbraw/zinc/20/63/34/405206334.db2.gz KUPWSVCHHDQLOK-AWEZNQCLSA-N 1 0 318.465 2.027 10 0 DEAERO Cc1cc2c(ncnc2N2CC[NH+](CC3(O)CCC3)CC2)s1 ZINC000408443976 405208780 /nfs/dbraw/zinc/20/87/80/405208780.db2.gz SFCPLYVRVUZNLE-UHFFFAOYSA-N 1 0 318.446 2.037 10 0 DEAERO FC(F)(F)C1CCC(C[N@@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000368399441 405239344 /nfs/dbraw/zinc/23/93/44/405239344.db2.gz JSXNGSRGBWEJNN-JXQTWKCFSA-N 1 0 306.372 2.372 10 0 DEAERO COc1ccccc1/C=C\CN1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000438257994 405239350 /nfs/dbraw/zinc/23/93/50/405239350.db2.gz RNOMRCGDSIQORN-DZFYGRHCSA-N 1 0 318.461 2.485 10 0 DEAERO COCC[C@]1([NH2+]Cc2nccn2Cc2ccccc2)CCOC1 ZINC000447064817 405400961 /nfs/dbraw/zinc/40/09/61/405400961.db2.gz BDKMPRDFXMXCDC-SFHVURJKSA-N 1 0 315.417 2.217 10 0 DEAERO COc1nsc(C[NH2+]C[C@H](O)C(C)(C)C)c1Br ZINC000638583320 405557387 /nfs/dbraw/zinc/55/73/87/405557387.db2.gz ZWONYYLUCUUPOH-QMMMGPOBSA-N 1 0 323.256 2.411 10 0 DEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)CC1 ZINC000577822059 405519393 /nfs/dbraw/zinc/51/93/93/405519393.db2.gz GDVIWMLBCFVXFF-CYBMUJFWSA-N 1 0 313.401 2.497 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCOc2ccc(OC)cc2C1 ZINC000456159948 405522199 /nfs/dbraw/zinc/52/21/99/405522199.db2.gz OQPMQRGXRFVLLR-INIZCTEOSA-N 1 0 318.417 2.291 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@H]2c2ccccc2)CC12COC2 ZINC000449367610 405529327 /nfs/dbraw/zinc/52/93/27/405529327.db2.gz XJTRWVHQMNZUCW-IKGGRYGDSA-N 1 0 315.413 2.302 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(F)c(Br)c1 ZINC000638570431 405550651 /nfs/dbraw/zinc/55/06/51/405550651.db2.gz SRCLYZMRIXBIAU-NWDGAFQWSA-N 1 0 315.186 2.459 10 0 DEAERO COc1nsc(C[NH2+]C[C@H](C)C[C@H](C)O)c1Br ZINC000638678577 405611844 /nfs/dbraw/zinc/61/18/44/405611844.db2.gz DEUVXKWPMLBAOK-SFYZADRCSA-N 1 0 323.256 2.411 10 0 DEAERO COc1cc(OC)c(C[C@H](C)[NH2+]C2CC(OC)C2)c(OC)c1 ZINC000449471064 405575208 /nfs/dbraw/zinc/57/52/08/405575208.db2.gz ZHJKVCSEFNBCOL-HIFPTAJRSA-N 1 0 309.406 2.410 10 0 DEAERO O[C@@H]1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000449475772 405578728 /nfs/dbraw/zinc/57/87/28/405578728.db2.gz UVGUHVSJYBZWJH-OKZBNKHCSA-N 1 0 312.417 2.393 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)c2cc(F)ccc2Br)C[NH2+]1 ZINC000638656434 405599822 /nfs/dbraw/zinc/59/98/22/405599822.db2.gz ZFBHMFIMYNPEBU-SCZZXKLOSA-N 1 0 315.186 2.459 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+]CCC[C@H]1CCOC1 ZINC000449692078 405695469 /nfs/dbraw/zinc/69/54/69/405695469.db2.gz ZYRVFJPJERJRBH-INIZCTEOSA-N 1 0 300.406 2.233 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000494467847 405705246 /nfs/dbraw/zinc/70/52/46/405705246.db2.gz HTSNBILCSNDNIJ-UHFFFAOYSA-N 1 0 316.445 2.245 10 0 DEAERO OC[C@@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)Cc1ccco1 ZINC000559477837 405740053 /nfs/dbraw/zinc/74/00/53/405740053.db2.gz GOEIHCPOROUWNI-GFCCVEGCSA-N 1 0 301.346 2.204 10 0 DEAERO Cc1ncc(C(F)(F)F)cc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638902119 405750789 /nfs/dbraw/zinc/75/07/89/405750789.db2.gz OGHSMRXHGOTGIT-SCZZXKLOSA-N 1 0 301.312 2.076 10 0 DEAERO CC1=CC[C@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000559918138 405759773 /nfs/dbraw/zinc/75/97/73/405759773.db2.gz RTWRCMMZMHUSLC-KRWDZBQOSA-N 1 0 305.466 2.019 10 0 DEAERO CC1=C(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CCCO1 ZINC000583621928 405778261 /nfs/dbraw/zinc/77/82/61/405778261.db2.gz VEJIPIWSTCXNJW-RDJZCZTQSA-N 1 0 315.417 2.275 10 0 DEAERO c1cc(C[C@@H]2CC[N@H+](Cc3cc4c(cn3)OCCO4)C2)ccn1 ZINC000638973786 405790169 /nfs/dbraw/zinc/79/01/69/405790169.db2.gz NTGUPQYYGPLTNE-HNNXBMFYSA-N 1 0 311.385 2.312 10 0 DEAERO COc1cccc(C2=CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000530988039 405890635 /nfs/dbraw/zinc/89/06/35/405890635.db2.gz UZPZZHGPAPZBIH-MRXNPFEDSA-N 1 0 300.402 2.263 10 0 DEAERO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459286689 405836943 /nfs/dbraw/zinc/83/69/43/405836943.db2.gz XETUFKOERAMCPU-HNNXBMFYSA-N 1 0 322.474 2.325 10 0 DEAERO CCC(=O)N[C@H]1CCCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000450328851 405837178 /nfs/dbraw/zinc/83/71/78/405837178.db2.gz PNMWKXVKRBFXAI-KRWDZBQOSA-N 1 0 303.450 2.109 10 0 DEAERO C[C@H](CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)S(C)(=O)=O ZINC000450352797 405851454 /nfs/dbraw/zinc/85/14/54/405851454.db2.gz ZSXNAZYTZNXMPW-CVEARBPZSA-N 1 0 316.511 2.008 10 0 DEAERO c1nc(C2CC2)ncc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000459334205 405857627 /nfs/dbraw/zinc/85/76/27/405857627.db2.gz FZQLZHCHDRIOHG-QGZVFWFLSA-N 1 0 316.449 2.041 10 0 DEAERO CCn1nncc1CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000459334099 405857996 /nfs/dbraw/zinc/85/79/96/405857996.db2.gz DFCCCLWNTCAFCV-MRXNPFEDSA-N 1 0 313.449 2.394 10 0 DEAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC(=O)NC2CC2)cc1 ZINC000459549648 405950322 /nfs/dbraw/zinc/95/03/22/405950322.db2.gz FUHYYZSEKHKSAZ-UHFFFAOYSA-N 1 0 304.390 2.010 10 0 DEAERO O[C@@H](COC[C@@H]1CCCO1)CN1Cc2cccc(Cl)c2C1 ZINC000561917567 405953236 /nfs/dbraw/zinc/95/32/36/405953236.db2.gz DLXHTUPXCYWWGP-KGLIPLIRSA-N 1 0 311.809 2.212 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000457583848 405906706 /nfs/dbraw/zinc/90/67/06/405906706.db2.gz SNUFRUKQSRTVRP-INIZCTEOSA-N 1 0 318.417 2.194 10 0 DEAERO COCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000450460029 405909416 /nfs/dbraw/zinc/90/94/16/405909416.db2.gz ZAUPXVYFJKJQTN-BMFZPTHFSA-N 1 0 311.422 2.385 10 0 DEAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cn2cccnc2n1 ZINC000531136050 405914698 /nfs/dbraw/zinc/91/46/98/405914698.db2.gz FVYITBUCLKSFPN-UHFFFAOYSA-N 1 0 309.373 2.352 10 0 DEAERO CCN1CC[C@@H]([NH2+]Cc2snc(OC)c2Br)C1 ZINC000639268034 406011021 /nfs/dbraw/zinc/01/10/21/406011021.db2.gz VFDUFKQPXVKBDR-MRVPVSSYSA-N 1 0 320.256 2.098 10 0 DEAERO CCc1ccnc(CNC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000562447381 406011681 /nfs/dbraw/zinc/01/16/81/406011681.db2.gz LSBLZWSIUVASNO-UHFFFAOYSA-N 1 0 302.422 2.095 10 0 DEAERO Cc1cccc(CNC(=O)C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)c1 ZINC000459715286 406015916 /nfs/dbraw/zinc/01/59/16/406015916.db2.gz LIWGCINIQVFGQE-SJORKVTESA-N 1 0 314.429 2.112 10 0 DEAERO C([NH2+][C@@H]1CCCC[C@@H]1C1CC1)C1(N2CCOCC2)CCOCC1 ZINC000459720281 406019104 /nfs/dbraw/zinc/01/91/04/406019104.db2.gz UOMRMBWGCXEVRK-QZTJIDSGSA-N 1 0 322.493 2.426 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)cc2)c1 ZINC000531567235 405979572 /nfs/dbraw/zinc/97/95/72/405979572.db2.gz GPVLITRMSGIJIK-RDTXWAMCSA-N 1 0 324.428 2.393 10 0 DEAERO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)CCCOc1ccccc1C(N)=O ZINC000467356024 406095547 /nfs/dbraw/zinc/09/55/47/406095547.db2.gz SUKLXVFACGPYKI-IHRRRGAJSA-N 1 0 308.422 2.346 10 0 DEAERO c1ccc(C[N@@H+]2CCCO[C@@H](CN3C[C@@H]4C[C@H]3CS4)C2)cc1 ZINC000459784543 406045971 /nfs/dbraw/zinc/04/59/71/406045971.db2.gz AEUDCQMPYYSGEX-KSZLIROESA-N 1 0 318.486 2.467 10 0 DEAERO c1c(C[N@H+](CCC2CC2)CC2CC2)nnn1C[C@H]1CCOC1 ZINC000639327237 406047185 /nfs/dbraw/zinc/04/71/85/406047185.db2.gz MXKKNKIQMFBTGK-MRXNPFEDSA-N 1 0 304.438 2.327 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639594278 406160049 /nfs/dbraw/zinc/16/00/49/406160049.db2.gz YXWFFZYMAUUQSU-QAPCUYQASA-N 1 0 315.417 2.088 10 0 DEAERO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccsc2)c2ccccc21 ZINC000634562771 406172879 /nfs/dbraw/zinc/17/28/79/406172879.db2.gz HOUSCVGFEVBOJQ-LLVKDONJSA-N 1 0 308.428 2.389 10 0 DEAERO CO[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000471964793 406133528 /nfs/dbraw/zinc/13/35/28/406133528.db2.gz JXTRQNNCWLSGSS-HUUCEWRRSA-N 1 0 305.422 2.480 10 0 DEAERO COC1CC[NH+](C2(CNC(=O)NC[C@H]3C[C@H]3C)CCCC2)CC1 ZINC000519380313 406194984 /nfs/dbraw/zinc/19/49/84/406194984.db2.gz LPQPLPFSFAUKEH-HUUCEWRRSA-N 1 0 323.481 2.365 10 0 DEAERO c1ccc(C[N@@H+]2CC[C@H](N3CCO[C@@]4(CCSC4)C3)C2)cc1 ZINC000569238719 406226590 /nfs/dbraw/zinc/22/65/90/406226590.db2.gz PUMWHBWYWBGTOE-ROUUACIJSA-N 1 0 318.486 2.469 10 0 DEAERO CO[C@H]1CCC[C@H]1C[NH2+]Cc1c(Br)cnn1C ZINC000487552138 406245273 /nfs/dbraw/zinc/24/52/73/406245273.db2.gz WRSDMRCVAPPKRB-CABZTGNLSA-N 1 0 302.216 2.087 10 0 DEAERO O=C(NCc1cccc(Br)c1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634737014 406255346 /nfs/dbraw/zinc/25/53/46/406255346.db2.gz GQNRRKPGHMTYKR-WFASDCNBSA-N 1 0 323.234 2.455 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000488111401 406293434 /nfs/dbraw/zinc/29/34/34/406293434.db2.gz XSBZCLOBMALDHQ-OPAMFIHVSA-N 1 0 322.474 2.257 10 0 DEAERO CC[C@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)C1CCOCC1 ZINC000545859666 406329597 /nfs/dbraw/zinc/32/95/97/406329597.db2.gz ZBFJXJOTZWHHIT-INIZCTEOSA-N 1 0 309.454 2.143 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)NC1CC(OCc2ccccc2)C1 ZINC000545944973 406336670 /nfs/dbraw/zinc/33/66/70/406336670.db2.gz FIGSQMHOLIVERZ-UHFFFAOYSA-N 1 0 319.449 2.327 10 0 DEAERO COC[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000488675316 406337616 /nfs/dbraw/zinc/33/76/16/406337616.db2.gz NAALXHRVNWKMTN-CQSZACIVSA-N 1 0 319.854 2.442 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000545227911 406304268 /nfs/dbraw/zinc/30/42/68/406304268.db2.gz YNZVSEZDYPYHTA-SJLPKXTDSA-N 1 0 321.465 2.143 10 0 DEAERO Cc1nn(C)c(CN2CCCCC[C@@H]([NH3+])C2)c1Br ZINC000634997324 406390694 /nfs/dbraw/zinc/39/06/94/406390694.db2.gz IYQSMBQRKIAJHB-LLVKDONJSA-N 1 0 315.259 2.194 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)Nc2cccc3c2OCO3)CC1 ZINC000547289346 406395630 /nfs/dbraw/zinc/39/56/30/406395630.db2.gz MCMLEYMXIXHFHI-UHFFFAOYSA-N 1 0 303.362 2.189 10 0 DEAERO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)[C@@H](C)O)CC2)cc1 ZINC000570242519 406366425 /nfs/dbraw/zinc/36/64/25/406366425.db2.gz XUJDLZCDJUDEPR-ZIAGYGMSSA-N 1 0 320.433 2.049 10 0 DEAERO Cc1c(Br)cccc1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637905657 406471676 /nfs/dbraw/zinc/47/16/76/406471676.db2.gz NEQKIRGHZBLTTI-CYBMUJFWSA-N 1 0 313.195 2.075 10 0 DEAERO CC(C)N(CC1CC1)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637936735 406486397 /nfs/dbraw/zinc/48/63/97/406486397.db2.gz ZIFDRCFDGWYKLK-KRWDZBQOSA-N 1 0 303.450 2.093 10 0 DEAERO [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000637868209 406454258 /nfs/dbraw/zinc/45/42/58/406454258.db2.gz VZTYUXAEOINONH-SJORKVTESA-N 1 0 312.369 2.320 10 0 DEAERO CC(=O)c1cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)ccc1C ZINC000571670515 406551272 /nfs/dbraw/zinc/55/12/72/406551272.db2.gz HCLGYQLCNRFXQH-GOSISDBHSA-N 1 0 300.402 2.413 10 0 DEAERO CC(=O)N1CC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000638094323 406567298 /nfs/dbraw/zinc/56/72/98/406567298.db2.gz RBVVSGLSMLLGFG-WBVHZDCISA-N 1 0 301.434 2.066 10 0 DEAERO COCC1(CNC(=O)c2cscc2Cl)CC[NH2+]CC1 ZINC000638224879 406635529 /nfs/dbraw/zinc/63/55/29/406635529.db2.gz OOILIGJFPHTRKY-UHFFFAOYSA-N 1 0 302.827 2.148 10 0 DEAERO C[C@](O)(C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1)C(F)(F)F ZINC000527299208 406612749 /nfs/dbraw/zinc/61/27/49/406612749.db2.gz PNKOIMGHRBJPGK-ZJUUUORDSA-N 1 0 323.277 2.325 10 0 DEAERO CCc1cnc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)s1 ZINC000548992067 406571239 /nfs/dbraw/zinc/57/12/39/406571239.db2.gz UKLSCIPZZYNPLK-DOMZBBRYSA-N 1 0 310.463 2.363 10 0 DEAERO O[C@@H]1[C@@H](C[NH2+][C@@H]2CCC23CCOCC3)CCC12CCOCC2 ZINC000549625815 406588921 /nfs/dbraw/zinc/58/89/21/406588921.db2.gz JJTCMFGBIXTKFJ-BZUAXINKSA-N 1 0 309.450 2.103 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1-c1cn[nH]c1 ZINC000635565082 406592845 /nfs/dbraw/zinc/59/28/45/406592845.db2.gz MSIQSOFIRUYPBG-DZGCQCFKSA-N 1 0 310.401 2.385 10 0 DEAERO c1ccc([C@@H](CN2CCOCC2)[NH2+]CCC[C@H]2CCO2)cc1 ZINC000638312475 406691788 /nfs/dbraw/zinc/69/17/88/406691788.db2.gz GQBOTUGWIPUTPP-ZWKOTPCHSA-N 1 0 304.434 2.219 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000527668147 406711626 /nfs/dbraw/zinc/71/16/26/406711626.db2.gz ZQDKWOAYWDRVRV-VXGBXAGGSA-N 1 0 302.827 2.180 10 0 DEAERO Clc1ccc(I)c(NC2C[NH2+]C2)c1 ZINC000575456052 406811129 /nfs/dbraw/zinc/81/11/29/406811129.db2.gz XGZJWBPFUTUOJW-UHFFFAOYSA-N 1 0 308.550 2.328 10 0 DEAERO O=C([C@H]1C[NH2+]CCOC1)N(Cc1ccccc1)c1ccccc1 ZINC000643618477 407018190 /nfs/dbraw/zinc/01/81/90/407018190.db2.gz PTMAEKAUFJWPDL-KRWDZBQOSA-N 1 0 310.397 2.456 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1ccc(Br)o1 ZINC000128600285 195977363 /nfs/dbraw/zinc/97/73/63/195977363.db2.gz LQJTWFTXZSZNKR-MRVPVSSYSA-N 1 0 310.213 2.257 10 0 DEAERO C[C@@H](c1cnn(C)c1)N(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185175201 287159029 /nfs/dbraw/zinc/15/90/29/287159029.db2.gz CBUUAGVROSYPLR-AWEZNQCLSA-N 1 0 321.469 2.245 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000128662174 195982110 /nfs/dbraw/zinc/98/21/10/195982110.db2.gz GBKXJMLLIKGZQD-DANNLKNASA-N 1 0 315.417 2.281 10 0 DEAERO CC[C@H]([NH3+])Cc1c(Cl)cccc1O[C@H]1CCS(=O)(=O)C1 ZINC000128740710 195987596 /nfs/dbraw/zinc/98/75/96/195987596.db2.gz UQGRZSHVQANQAY-QWRGUYRKSA-N 1 0 317.838 2.186 10 0 DEAERO CCCC[NH2+]CCn1c(C)c(Br)c(C)nc1=O ZINC000128800443 195993210 /nfs/dbraw/zinc/99/32/10/195993210.db2.gz UOKNXJBRYZNBPQ-UHFFFAOYSA-N 1 0 302.216 2.012 10 0 DEAERO Cc1nc(N)sc1-c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000128895080 196001344 /nfs/dbraw/zinc/00/13/44/196001344.db2.gz PIBNZFMLLVQIGM-PBINXNQUSA-N 1 0 305.407 2.424 10 0 DEAERO CC[NH2+]Cc1cnc(Sc2ccc(S(C)(=O)=O)cc2)nc1 ZINC000128900915 196002858 /nfs/dbraw/zinc/00/28/58/196002858.db2.gz FRKNWVOVKRSPBX-UHFFFAOYSA-N 1 0 323.443 2.141 10 0 DEAERO [NH3+]CCc1cnc(Sc2ccc3c(c2)OCCCO3)nc1 ZINC000129052104 196014844 /nfs/dbraw/zinc/01/48/44/196014844.db2.gz OHEAPPSQIJZFIO-UHFFFAOYSA-N 1 0 303.387 2.290 10 0 DEAERO CC[C@H]([NH3+])[C@H](O)c1ncc(Br)cc1Br ZINC000129046037 196015372 /nfs/dbraw/zinc/01/53/72/196015372.db2.gz GJAHXRDTJSBBPF-CBAPKCEASA-N 1 0 324.016 2.377 10 0 DEAERO CC[NH2+]C1CCC(O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000129302350 196037131 /nfs/dbraw/zinc/03/71/31/196037131.db2.gz SKKJAWYLWJTWQL-CVSAEHQPSA-N 1 0 303.468 2.280 10 0 DEAERO CC[NH2+]C[C@H]1CCC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129561109 196058000 /nfs/dbraw/zinc/05/80/00/196058000.db2.gz WPUSGOGDRFPTAS-RRFJBIMHSA-N 1 0 302.484 2.074 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)[C@H](C[NH3+])C(C)C ZINC000129604383 196061079 /nfs/dbraw/zinc/06/10/79/196061079.db2.gz ZQFKYCRHMBSBJM-SNVBAGLBSA-N 1 0 300.200 2.322 10 0 DEAERO C[C@@H]([NH3+])c1ccc(Br)cc1Sc1nnnn1C ZINC000129819125 196078549 /nfs/dbraw/zinc/07/85/49/196078549.db2.gz IQZXBCAYUVHQSN-ZCFIWIBFSA-N 1 0 314.212 2.144 10 0 DEAERO N[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccs1 ZINC000130522339 196087092 /nfs/dbraw/zinc/08/70/92/196087092.db2.gz NFTXVFXLDXUYIW-HNNXBMFYSA-N 1 0 307.463 2.082 10 0 DEAERO CC(C)(C)[NH2+]CCn1nnnc1SCCCC(F)(F)F ZINC000130603903 196095926 /nfs/dbraw/zinc/09/59/26/196095926.db2.gz UHVRZJFBKQNIGH-UHFFFAOYSA-N 1 0 311.377 2.496 10 0 DEAERO C[C@@H]1CCCC[C@@]1(C[NH3+])NC(=O)c1cc(Br)c[nH]1 ZINC000130627033 196096611 /nfs/dbraw/zinc/09/66/11/196096611.db2.gz LVYHUXQOSUGVSW-RNCFNFMXSA-N 1 0 314.227 2.415 10 0 DEAERO C[NH2+]C[C@H]1COCCN1Cc1cc(Br)ccc1F ZINC000130769460 196108743 /nfs/dbraw/zinc/10/87/43/196108743.db2.gz XSIXYVKKKJAJRV-LBPRGKRZSA-N 1 0 317.202 2.008 10 0 DEAERO CC[NH2+]C[C@@H]1COCCN1Cc1ccccc1Br ZINC000130832021 196114697 /nfs/dbraw/zinc/11/46/97/196114697.db2.gz COFUVUMVRXTEJH-CYBMUJFWSA-N 1 0 313.239 2.259 10 0 DEAERO CCC[NH2+][C@@H](c1cccc2c1OCCC2)[C@H](C)S(C)(=O)=O ZINC000131021207 196132357 /nfs/dbraw/zinc/13/23/57/196132357.db2.gz OCCLLGXPEGYVQE-SWLSCSKDSA-N 1 0 311.447 2.485 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)c1ccc(F)c(OC)c1 ZINC000131124582 196141689 /nfs/dbraw/zinc/14/16/89/196141689.db2.gz ZKGPPFTWKSDEJN-CYBMUJFWSA-N 1 0 303.399 2.310 10 0 DEAERO C[C@H](CO)[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000131157499 196144223 /nfs/dbraw/zinc/14/42/23/196144223.db2.gz CEOCYQFETWZEGX-VYDXJSESSA-N 1 0 304.434 2.174 10 0 DEAERO CNC(=O)CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000131195897 196148448 /nfs/dbraw/zinc/14/84/48/196148448.db2.gz BIOVHAKQHWUFQL-ZDUSSCGKSA-N 1 0 303.406 2.136 10 0 DEAERO Cc1c(C[NH3+])cccc1S(=O)(=O)NCCCC(F)(F)F ZINC000131217503 196150487 /nfs/dbraw/zinc/15/04/87/196150487.db2.gz PWPKKLWQSROADX-UHFFFAOYSA-N 1 0 310.341 2.075 10 0 DEAERO CCc1ccc(C[NH3+])cc1S(=O)(=O)NCCCC(F)(F)F ZINC000131221986 196151351 /nfs/dbraw/zinc/15/13/51/196151351.db2.gz SXRIYBWNULXDQZ-UHFFFAOYSA-N 1 0 324.368 2.329 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000131548405 196178791 /nfs/dbraw/zinc/17/87/91/196178791.db2.gz GHQNQTJENAKRFI-LLVKDONJSA-N 1 0 314.227 2.224 10 0 DEAERO Cc1csc(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)n1 ZINC000131571337 196180779 /nfs/dbraw/zinc/18/07/79/196180779.db2.gz ZQUZYILCGBXTBG-GFCCVEGCSA-N 1 0 300.387 2.441 10 0 DEAERO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCSC1 ZINC000131689065 196191176 /nfs/dbraw/zinc/19/11/76/196191176.db2.gz ZHTGZWDSMZKKNK-JSGCOSHPSA-N 1 0 303.431 2.050 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000131852110 196204881 /nfs/dbraw/zinc/20/48/81/196204881.db2.gz KBKQFCWACOQMMU-WIRQWFGLSA-N 1 0 315.417 2.281 10 0 DEAERO NC(=O)N1CCC([NH2+]CC2(c3ccc(F)cc3)CCC2)CC1 ZINC000132088528 196224748 /nfs/dbraw/zinc/22/47/48/196224748.db2.gz ZYLKKYDFQQBZQI-UHFFFAOYSA-N 1 0 305.397 2.380 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCc2sc(Br)cc21)C(N)=O ZINC000132273765 196240407 /nfs/dbraw/zinc/24/04/07/196240407.db2.gz QIDSPNZMAJFIIY-XPUUQOCRSA-N 1 0 303.225 2.351 10 0 DEAERO C[NH2+][C@H](C)c1ccc(O[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000132300572 196243217 /nfs/dbraw/zinc/24/32/17/196243217.db2.gz KFSYHOKEWNMPRC-MWLCHTKSSA-N 1 0 303.811 2.186 10 0 DEAERO COC[C@@H](C)[C@@H]1C[NH+]=C(N)N1c1ccccc1Br ZINC000132495627 196259538 /nfs/dbraw/zinc/25/95/38/196259538.db2.gz QBXVUFJKMUSSAW-SKDRFNHKSA-N 1 0 312.211 2.235 10 0 DEAERO CCn1ncc(Br)c1[C@]1(O)CCC[N@H+](CC)CC1 ZINC000132499337 196260533 /nfs/dbraw/zinc/26/05/33/196260533.db2.gz DDOAESNWFSXRSL-ZDUSSCGKSA-N 1 0 316.243 2.359 10 0 DEAERO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](CCn2ccnc2)C1 ZINC000132759786 196281776 /nfs/dbraw/zinc/28/17/76/196281776.db2.gz ZHMFCFYZPFOLMN-SJORKVTESA-N 1 0 313.401 2.162 10 0 DEAERO C[C@@H]([NH3+])CCCC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000133210362 196321464 /nfs/dbraw/zinc/32/14/64/196321464.db2.gz ZJYINPZBBUWPNC-SNVBAGLBSA-N 1 0 311.813 2.498 10 0 DEAERO COCc1nc(N(C)[C@@H](C)Cc2cccs2)cc(NN)[nH+]1 ZINC000133054927 196308038 /nfs/dbraw/zinc/30/80/38/196308038.db2.gz SREYSIKIQYGLFY-JTQLQIEISA-N 1 0 307.423 2.038 10 0 DEAERO O=C(NCC[C@@H]1CCC[NH2+]1)c1ccc(Br)s1 ZINC000133103444 196311999 /nfs/dbraw/zinc/31/19/99/196311999.db2.gz CLIPHJQWBOVOBU-QMMMGPOBSA-N 1 0 303.225 2.383 10 0 DEAERO CCC[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000133294382 196328258 /nfs/dbraw/zinc/32/82/58/196328258.db2.gz HOGRIOBHOYVKPG-HNNXBMFYSA-N 1 0 310.463 2.456 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)c2ccc([S@@](C)=O)cc2)CC1 ZINC000133907509 196345754 /nfs/dbraw/zinc/34/57/54/196345754.db2.gz CJOLIIPUDOXDPQ-IAQXUPPSSA-N 1 0 322.474 2.274 10 0 DEAERO C(c1nn2c(nnc2C2CCCC2)s1)[C@@H]1CSCC[NH2+]1 ZINC000133980176 196350873 /nfs/dbraw/zinc/35/08/73/196350873.db2.gz QJEXIZUBXBKWFQ-SNVBAGLBSA-N 1 0 309.464 2.091 10 0 DEAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000134431907 196390284 /nfs/dbraw/zinc/39/02/84/196390284.db2.gz LCFGRANSKRXDPA-KBPBESRZSA-N 1 0 304.438 2.020 10 0 DEAERO C[C@@](C[NH3+])(Nc1ccccc1S(C)(=O)=O)c1ccccc1 ZINC000134474772 196395156 /nfs/dbraw/zinc/39/51/56/196395156.db2.gz LQJKDPPKEZFYBX-INIZCTEOSA-N 1 0 304.415 2.376 10 0 DEAERO COC(=O)c1ccc(Cl)c(NC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000134496824 196396375 /nfs/dbraw/zinc/39/63/75/196396375.db2.gz FGNPNSBEWKTDEZ-SNVBAGLBSA-N 1 0 310.781 2.455 10 0 DEAERO CCOC(=O)CN(CC(C)C)C(=O)C[C@@H]([NH3+])CC(C)(C)C ZINC000134830681 196422404 /nfs/dbraw/zinc/42/24/04/196422404.db2.gz BDLGRARODARSHG-CYBMUJFWSA-N 1 0 300.443 2.188 10 0 DEAERO CC[C@@H]([NH3+])CCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000135190516 196451359 /nfs/dbraw/zinc/45/13/59/196451359.db2.gz DNQRSGKEVRATQM-SNVBAGLBSA-N 1 0 310.341 2.111 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1cnc2ccccc2c1 ZINC000136107024 196520206 /nfs/dbraw/zinc/52/02/06/196520206.db2.gz BKSMXJUFCLYAEH-LRDDRELGSA-N 1 0 304.415 2.320 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000136326531 196532576 /nfs/dbraw/zinc/53/25/76/196532576.db2.gz VREACSOASAPIGI-SNVBAGLBSA-N 1 0 305.300 2.335 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1O[C@@H]1CCCC[C@H]1[NH3+] ZINC000136484654 196539220 /nfs/dbraw/zinc/53/92/20/196539220.db2.gz DUHLUTSMSORYTL-CHWSQXEVSA-N 1 0 312.435 2.022 10 0 DEAERO CCSc1cccc(N2CCCC[C@@H]2C(=O)NC)c1C[NH3+] ZINC000136518529 196539633 /nfs/dbraw/zinc/53/96/33/196539633.db2.gz HWZCPJMRCZFODB-CQSZACIVSA-N 1 0 307.463 2.362 10 0 DEAERO C[NH2+][C@H](CN(C)CC(F)F)c1ccc2c(c1)OCCCO2 ZINC000136811694 196553734 /nfs/dbraw/zinc/55/37/34/196553734.db2.gz PVJHBWIDLYKLEN-GFCCVEGCSA-N 1 0 300.349 2.305 10 0 DEAERO Cc1ccc(C[NH2+]C(C)C)cc1S(=O)(=O)N(C)CC(F)F ZINC000137044054 196561806 /nfs/dbraw/zinc/56/18/06/196561806.db2.gz ZARPSLDJINRLQB-UHFFFAOYSA-N 1 0 320.405 2.379 10 0 DEAERO O=C(C/C=C/c1cccc(F)c1)NCC[N@@H+]1CCCOCC1 ZINC000189444627 225053263 /nfs/dbraw/zinc/05/32/63/225053263.db2.gz ALQUEXIFAIMHDH-GORDUTHDSA-N 1 0 306.381 2.068 10 0 DEAERO C[C@@H]1CCC[C@@H](C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000247561039 287371063 /nfs/dbraw/zinc/37/10/63/287371063.db2.gz ZPBUXSCBJUBKGI-KZNAEPCWSA-N 1 0 321.509 2.441 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccccc1OCC1CC1 ZINC000417710383 229075122 /nfs/dbraw/zinc/07/51/22/229075122.db2.gz CDGLQFNURHLIKQ-WFASDCNBSA-N 1 0 303.406 2.107 10 0 DEAERO CN(C)C(=O)C[NH+]1CCC(CNc2nc3ccccc3o2)CC1 ZINC000521394494 421785611 /nfs/dbraw/zinc/78/56/11/421785611.db2.gz ZBOLHCZCMYOUIF-UHFFFAOYSA-N 1 0 316.405 2.040 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)NC1(C[NH3+])CCCCC1 ZINC000037376058 424807426 /nfs/dbraw/zinc/80/74/26/424807426.db2.gz MLBXAOTXNRVRSG-UHFFFAOYSA-N 1 0 300.399 2.074 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)NCCC[NH+](C)C)cc1OC ZINC000042920768 424811049 /nfs/dbraw/zinc/81/10/49/424811049.db2.gz NAEYSUXXJKPBBS-GFCCVEGCSA-N 1 0 309.410 2.016 10 0 DEAERO Cc1nnc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)s1 ZINC000043408750 424811968 /nfs/dbraw/zinc/81/19/68/424811968.db2.gz GUNVBMRIEMSWNP-LBPRGKRZSA-N 1 0 305.407 2.271 10 0 DEAERO O=C(NCc1ccncc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192908723 424866277 /nfs/dbraw/zinc/86/62/77/424866277.db2.gz SCUBQMRKRVAIMY-UHFFFAOYSA-N 1 0 302.422 2.099 10 0 DEAERO CCCn1c(C)nnc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000154045765 424859948 /nfs/dbraw/zinc/85/99/48/424859948.db2.gz IIULVLDBEXTLIY-UHFFFAOYSA-N 1 0 305.470 2.304 10 0 DEAERO O=C1C[C@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CCCN1 ZINC000379637640 424907709 /nfs/dbraw/zinc/90/77/09/424907709.db2.gz SVSPGPDJFZHQLJ-MSOLQXFVSA-N 1 0 315.461 2.299 10 0 DEAERO O[C@@H](C[NH2+]Cc1ccsc1Br)COCC1CC1 ZINC000388411353 424914879 /nfs/dbraw/zinc/91/48/79/424914879.db2.gz XXFWZWNSCXAZNZ-NSHDSACASA-N 1 0 320.252 2.388 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000396669898 424921298 /nfs/dbraw/zinc/92/12/98/424921298.db2.gz FPCMHXKDUHHZQX-SECBINFHSA-N 1 0 301.184 2.175 10 0 DEAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc(Br)o1 ZINC000401401939 424923010 /nfs/dbraw/zinc/92/30/10/424923010.db2.gz NUHSJBBMYHEYHK-SNVBAGLBSA-N 1 0 313.195 2.447 10 0 DEAERO CC(C)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404151855 424925147 /nfs/dbraw/zinc/92/51/47/424925147.db2.gz QBZASLDSHIVVRU-IAGOWNOFSA-N 1 0 302.418 2.144 10 0 DEAERO [NH3+]CC1(CCNC(=O)c2ccc(Br)cc2F)CC1 ZINC000404519162 424928052 /nfs/dbraw/zinc/92/80/52/424928052.db2.gz LRAPPAPJRXVKDH-UHFFFAOYSA-N 1 0 315.186 2.447 10 0 DEAERO C[C@H](OCc1ccccc1)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000404563199 424928252 /nfs/dbraw/zinc/92/82/52/424928252.db2.gz ZDKDAILCMKJTTM-HOCLYGCPSA-N 1 0 302.418 2.383 10 0 DEAERO CC(C)O[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000404487759 424928387 /nfs/dbraw/zinc/92/83/87/424928387.db2.gz ODNDTBIJZYEMJO-ZWKOTPCHSA-N 1 0 307.434 2.454 10 0 DEAERO CC(C)C[C@H](C[NH3+])NC(=O)c1nscc1Br ZINC000404795636 424930107 /nfs/dbraw/zinc/93/01/07/424930107.db2.gz HRGCXAVKOAAULW-SSDOTTSWSA-N 1 0 306.229 2.009 10 0 DEAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1nscc1Br ZINC000405008123 424930742 /nfs/dbraw/zinc/93/07/42/424930742.db2.gz JRPUTYQQRJNUEN-MRVPVSSYSA-N 1 0 320.256 2.364 10 0 DEAERO c1ccc(-c2nnc(NCCCC[NH+]3CCOCC3)s2)cc1 ZINC000339031527 424941674 /nfs/dbraw/zinc/94/16/74/424941674.db2.gz DHUMCGDBLRMMML-UHFFFAOYSA-N 1 0 318.446 2.729 10 0 DEAERO Cc1ccc(CNC(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)cc1F ZINC000249567155 424887586 /nfs/dbraw/zinc/88/75/86/424887586.db2.gz NHHANRDWSKQPMP-FZKQIMNGSA-N 1 0 322.424 2.233 10 0 DEAERO CO[C@@](C)(C[NH2+]Cc1cnn(C)c1C)COCc1ccccc1 ZINC000657591656 425370933 /nfs/dbraw/zinc/37/09/33/425370933.db2.gz KFYMOEAZQUBHIT-SFHVURJKSA-N 1 0 317.433 2.440 10 0 DEAERO CCn1cc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2ccnn2C)cn1 ZINC000658272789 425465723 /nfs/dbraw/zinc/46/57/23/425465723.db2.gz QNDXNDUJIAXUBY-GRDNDAEWSA-N 1 0 317.437 2.455 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1nccn1CC(C)C ZINC000176625065 267541330 /nfs/dbraw/zinc/54/13/30/267541330.db2.gz AZHNEJURRXVPPH-HNNXBMFYSA-N 1 0 321.469 2.213 10 0 DEAERO [NH3+]C[C@H](NC(=O)CCOc1ccccc1Cl)C(F)(F)F ZINC000655509431 425585755 /nfs/dbraw/zinc/58/57/55/425585755.db2.gz NIRFTGKVDCXGBA-JTQLQIEISA-N 1 0 310.703 2.115 10 0 DEAERO Cc1ccccc1SCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662976375 425770639 /nfs/dbraw/zinc/77/06/39/425770639.db2.gz OSLLLLKRZBNQQP-LLVKDONJSA-N 1 0 306.353 2.435 10 0 DEAERO Cc1c(-c2nc(Cc3ccccc3C)no2)nnn1[C@H]1CC[NH2+]C1 ZINC000656563456 425795115 /nfs/dbraw/zinc/79/51/15/425795115.db2.gz RWXBFZMMEALJDD-AWEZNQCLSA-N 1 0 324.388 2.070 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCCc2ccccn2)CC1 ZINC000195475082 268571446 /nfs/dbraw/zinc/57/14/46/268571446.db2.gz GWBUUHFWFXPXPW-UHFFFAOYSA-N 1 0 304.438 2.045 10 0 DEAERO O=C1[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)N1Cc1ccc2c[nH+]cn2c1 ZINC000333592612 268957584 /nfs/dbraw/zinc/95/75/84/268957584.db2.gz VHOZNLIQSBOFPF-IMJJTQAJSA-N 1 0 324.384 2.430 10 0 DEAERO CC[C@@H]([NH2+]Cc1nn(C)cc1Br)[C@@H]1CCOC1 ZINC000393338055 269099498 /nfs/dbraw/zinc/09/94/98/269099498.db2.gz NOIKZVMUOVVXCJ-MWLCHTKSSA-N 1 0 302.216 2.087 10 0 DEAERO Cc1oc(Br)cc1C(=O)NCCCC[NH+](C)C ZINC000396721355 269104091 /nfs/dbraw/zinc/10/40/91/269104091.db2.gz IYIPVYJIBZYVIK-UHFFFAOYSA-N 1 0 303.200 2.422 10 0 DEAERO Cc1cc(CC[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)on1 ZINC000507211492 269315854 /nfs/dbraw/zinc/31/58/54/269315854.db2.gz MOSNBJWYBHIZOP-MRXNPFEDSA-N 1 0 317.364 2.274 10 0 DEAERO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000514895395 269336042 /nfs/dbraw/zinc/33/60/42/269336042.db2.gz XDJYOMPTPWKHLK-UPJWGTAASA-N 1 0 314.451 2.025 10 0 DEAERO O[C@H](C[NH+]1CCC(Nc2ccccn2)CC1)CC(F)(F)F ZINC000526057021 269502146 /nfs/dbraw/zinc/50/21/46/269502146.db2.gz WMZFXXZKQSTCOO-LBPRGKRZSA-N 1 0 303.328 2.271 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc2c(c1)sc(=O)n2C ZINC000262012370 274239076 /nfs/dbraw/zinc/23/90/76/274239076.db2.gz MJRWKRYCOGVLCE-YPMHNXCESA-N 1 0 305.447 2.302 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091344115 274256442 /nfs/dbraw/zinc/25/64/42/274256442.db2.gz RXCRBYVECSSJNF-ZYHUDNBSSA-N 1 0 320.824 2.498 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2ccc(Br)cc21 ZINC000449274487 274378289 /nfs/dbraw/zinc/37/82/89/274378289.db2.gz DVJCEYUBUAWWLJ-BXKDBHETSA-N 1 0 309.207 2.194 10 0 DEAERO Cc1ccccc1[C@@H](C)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000128094311 274809089 /nfs/dbraw/zinc/80/90/89/274809089.db2.gz ZSJKJYZTCWSOFZ-OAHLLOKOSA-N 1 0 322.416 2.316 10 0 DEAERO O[C@H](C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1)CC(F)(F)F ZINC000375508719 275057627 /nfs/dbraw/zinc/05/76/27/275057627.db2.gz URRHUENDABVELC-QWHCGFSZSA-N 1 0 307.287 2.032 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Nn1cnc2ccccc21 ZINC000079496081 275594152 /nfs/dbraw/zinc/59/41/52/275594152.db2.gz VCOIDJNZFGVSPV-CYBMUJFWSA-N 1 0 303.410 2.266 10 0 DEAERO CCC[C@H](C(=O)N1CCO[C@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC000178645925 276037815 /nfs/dbraw/zinc/03/78/15/276037815.db2.gz CQGPQALZTATGCC-CVEARBPZSA-N 1 0 308.397 2.456 10 0 DEAERO CC1(C)C[C@H]([NH2+]CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C(C)(C)O1 ZINC000132458971 276148263 /nfs/dbraw/zinc/14/82/63/276148263.db2.gz XOQBRHQNYWVGNF-KKUMJFAQSA-N 1 0 324.465 2.092 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1cccc(OC)c1 ZINC000174786690 276169586 /nfs/dbraw/zinc/16/95/86/276169586.db2.gz OHBWJBYLRYNUOQ-MRXNPFEDSA-N 1 0 319.449 2.440 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1C ZINC000176903483 276179418 /nfs/dbraw/zinc/17/94/18/276179418.db2.gz FJZZCRUAXAVSCR-AWEZNQCLSA-N 1 0 321.396 2.015 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N1CCCc2ccccc21 ZINC000175344882 276182366 /nfs/dbraw/zinc/18/23/66/276182366.db2.gz NVAFQWFZOCUBOW-KRWDZBQOSA-N 1 0 315.461 2.382 10 0 DEAERO CCN1CC[N@H+](CC2(O)CCC(C)CC2)C[C@H]1c1ncc[nH]1 ZINC000408280417 276193969 /nfs/dbraw/zinc/19/39/69/276193969.db2.gz HLUGFUMOTGUGQD-CKDBGZEDSA-N 1 0 306.454 2.030 10 0 DEAERO CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1C[NH2+]CC2 ZINC000082810730 276303921 /nfs/dbraw/zinc/30/39/21/276303921.db2.gz JVBZODGMYWJJJI-UHFFFAOYSA-N 1 0 305.765 2.348 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C12CCCC2 ZINC000262017822 276353435 /nfs/dbraw/zinc/35/34/35/276353435.db2.gz WIILEQGQYQIVBS-HSFUPAIVSA-N 1 0 322.493 2.471 10 0 DEAERO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000184666766 276440611 /nfs/dbraw/zinc/44/06/11/276440611.db2.gz ICLISRRTXVBLIO-UKRRQHHQSA-N 1 0 310.438 2.099 10 0 DEAERO CCn1c(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)nc2cc(F)ccc21 ZINC000184822247 276710104 /nfs/dbraw/zinc/71/01/04/276710104.db2.gz GDIUXGQWWQALBV-STQMWFEESA-N 1 0 318.396 2.329 10 0 DEAERO CC(=O)N1CCc2cc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)ccc21 ZINC000261891282 277012254 /nfs/dbraw/zinc/01/22/54/277012254.db2.gz NURQSYSMFWWKQE-MRXNPFEDSA-N 1 0 315.417 2.312 10 0 DEAERO CC(=O)N[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)C1CCCC1 ZINC000341062670 277050711 /nfs/dbraw/zinc/05/07/11/277050711.db2.gz CLBINWFCUSZENL-CPUCHLNUSA-N 1 0 323.481 2.060 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000115810259 277080402 /nfs/dbraw/zinc/08/04/02/277080402.db2.gz CJENRFHQIBKKRO-WBVHZDCISA-N 1 0 316.449 2.049 10 0 DEAERO CC(=O)c1ccccc1OCC[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000412088853 277115751 /nfs/dbraw/zinc/11/57/51/277115751.db2.gz SPHFOZHJXNINIA-HNNXBMFYSA-N 1 0 318.417 2.257 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCSc3ccccc32)n1 ZINC000263298552 277116520 /nfs/dbraw/zinc/11/65/20/277116520.db2.gz WSYQYZPVDRFMCU-QWHCGFSZSA-N 1 0 316.430 2.273 10 0 DEAERO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000150767087 277247915 /nfs/dbraw/zinc/24/79/15/277247915.db2.gz JNOQYJNKNDNDTM-OAHLLOKOSA-N 1 0 323.481 2.001 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H](n2cc(C(=O)NC3CCCC3)nn2)C1 ZINC000012328806 277392454 /nfs/dbraw/zinc/39/24/54/277392454.db2.gz LYEFFGKEMCSSAD-OAHLLOKOSA-N 1 0 319.453 2.243 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246825521 277393589 /nfs/dbraw/zinc/39/35/89/277393589.db2.gz UMRYESDGBRBBIE-YYIAUSFCSA-N 1 0 323.481 2.364 10 0 DEAERO C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[C@@H]1c1ccccc1 ZINC000261762034 277839328 /nfs/dbraw/zinc/83/93/28/277839328.db2.gz LUGUTOBYTDINEZ-JLSDUUJJSA-N 1 0 316.445 2.393 10 0 DEAERO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000176799553 277839628 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302.418 2.494 10 0 DEAERO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1(C)OCCCO1 ZINC000190661705 298284581 /nfs/dbraw/zinc/28/45/81/298284581.db2.gz FMRNRAYUVRRZJI-CQSZACIVSA-N 1 0 306.406 2.171 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000227635797 301302539 /nfs/dbraw/zinc/30/25/39/301302539.db2.gz PPIROFXNDPUXKJ-TZMCWYRMSA-N 1 0 314.426 2.238 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000229382881 301303300 /nfs/dbraw/zinc/30/33/00/301303300.db2.gz NUFCIZZACRNWPD-OCCSQVGLSA-N 1 0 314.426 2.238 10 0 DEAERO Cn1nccc1[C@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC(=O)N1C ZINC000329021470 303097868 /nfs/dbraw/zinc/09/78/68/303097868.db2.gz MGDGYTHAILOIBY-ATNYBXOESA-N 1 0 316.449 2.250 10 0 DEAERO NC(=O)N1CCC([NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000178119901 303263087 /nfs/dbraw/zinc/26/30/87/303263087.db2.gz YCMCVFZXSSZNJL-CVEARBPZSA-N 1 0 303.406 2.039 10 0 DEAERO C[C@@H]1CCCN(c2cc(NC[C@@H]3CCC[N@H+](C)C3)ncn2)C1 ZINC000302004843 533702768 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COC[C@@H](C)C[NH2+][C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000188145792 333038136 /nfs/dbraw/zinc/03/81/36/333038136.db2.gz YTSLGUNNJVRIMR-GOEBONIOSA-N 1 0 322.449 2.150 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000582821413 337203047 /nfs/dbraw/zinc/20/30/47/337203047.db2.gz PCOWZOAZJGIGIS-GOSISDBHSA-N 1 0 320.396 2.420 10 0 DEAERO Cc1noc(C)c1[C@H](C)CNC(=O)c1conc1C(C)(C)[NH3+] ZINC000582915633 337217460 /nfs/dbraw/zinc/21/74/60/337217460.db2.gz RIGOGVIIIKWASI-MRVPVSSYSA-N 1 0 306.366 2.007 10 0 DEAERO C/C=C\c1ccc(OCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(OC)c1 ZINC000582959056 337218542 /nfs/dbraw/zinc/21/85/42/337218542.db2.gz GZCVMVZTMDZEEZ-LTIZXKLPSA-N 1 0 318.417 2.221 10 0 DEAERO CC(=O)c1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000584577462 337367379 /nfs/dbraw/zinc/36/73/79/337367379.db2.gz XJTHXXJXVHLDQL-GASCZTMLSA-N 1 0 301.390 2.353 10 0 DEAERO Cc1[nH]c2ccc(OCCOc3ccn(C)n3)cc2c1CC[NH3+] ZINC000584618961 337373351 /nfs/dbraw/zinc/37/33/51/337373351.db2.gz JQEUMBKVDXWOTF-UHFFFAOYSA-N 1 0 314.389 2.169 10 0 DEAERO Cc1ccc(-c2c[nH]c3ncc(OC4CC[NH2+]CC4)nc23)cn1 ZINC000584638778 337379720 /nfs/dbraw/zinc/37/97/20/337379720.db2.gz IPTRAEJQSXRYJU-UHFFFAOYSA-N 1 0 309.373 2.459 10 0 DEAERO COC[C@@H](C[NH+]1CCN(c2ccccc2)CC1)OCC(C)C ZINC000584652135 337381040 /nfs/dbraw/zinc/38/10/40/337381040.db2.gz JSDAVHRQVQRZLQ-GOSISDBHSA-N 1 0 306.450 2.496 10 0 DEAERO Cc1cc(Cl)ccc1OCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195315655 533787925 /nfs/dbraw/zinc/78/79/25/533787925.db2.gz GOYCWLMRHPDELB-AWEZNQCLSA-N 1 0 308.809 2.334 10 0 DEAERO COc1ccc(O)cc1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000189078942 534211549 /nfs/dbraw/zinc/21/15/49/534211549.db2.gz KXRVAHYFVSVRIV-CYBMUJFWSA-N 1 0 306.406 2.395 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(C)sc1C ZINC000032072680 517643279 /nfs/dbraw/zinc/64/32/79/517643279.db2.gz FZVVZHYCVVFAFK-JTQLQIEISA-N 1 0 304.481 2.374 10 0 DEAERO CC(C)(C)[C@H](CCO)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366402194 518954896 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CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2nc(C)cs2)[C@H](C)C1 ZINC000128121490 521712214 /nfs/dbraw/zinc/71/22/14/521712214.db2.gz LREWRDIBVXSAFX-DGCLKSJQSA-N 1 0 310.467 2.323 10 0 DEAERO CNC(=O)c1ccc(C[N@H+](C)CCc2ncc(C)s2)cc1 ZINC000157421675 521808151 /nfs/dbraw/zinc/80/81/51/521808151.db2.gz LFAZDCJGDMLXDM-UHFFFAOYSA-N 1 0 303.431 2.486 10 0 DEAERO O=C(C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc(F)cc1 ZINC000328929024 534594857 /nfs/dbraw/zinc/59/48/57/534594857.db2.gz YGVSQGAIJZBDDE-CJNGLKHVSA-N 1 0 305.353 2.251 10 0 DEAERO COC(=O)c1ccc(C[N@H+](C)C[C@@H](O)COC(C)(C)C)cc1 ZINC000157544565 521998793 /nfs/dbraw/zinc/99/87/93/521998793.db2.gz YFJRKAVAHVJPDA-OAHLLOKOSA-N 1 0 309.406 2.081 10 0 DEAERO CCc1nc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000107854087 522329967 /nfs/dbraw/zinc/32/99/67/522329967.db2.gz ZWYKHMNLKFSXAW-CYBMUJFWSA-N 1 0 308.451 2.085 10 0 DEAERO CCc1nc(CNC(=O)NCC[N@H+](C)C2CCCC2)cs1 ZINC000107747210 522333547 /nfs/dbraw/zinc/33/35/47/522333547.db2.gz 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306.376 2.317 10 0 DEAERO O[C@H](C[C@H]1COCCN1CCC[NH+]1CCCCC1)c1ccco1 ZINC000161588574 625126256 /nfs/dbraw/zinc/12/62/56/625126256.db2.gz RNWWWJJXRWRMIM-DLBZAZTESA-N 1 0 322.449 2.280 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCS2(=O)=O)C1(CC)CC ZINC000182025227 625239088 /nfs/dbraw/zinc/23/90/88/625239088.db2.gz UQEIAJKONDAWDD-BFHYXJOUSA-N 1 0 303.468 2.137 10 0 DEAERO CC[N@H+](Cc1ccc(C(=O)NCC[S@](=O)CC)cc1)C(C)C ZINC000733960645 633304463 /nfs/dbraw/zinc/30/44/63/633304463.db2.gz KDDGZVHDGPDRFP-JOCHJYFZSA-N 1 0 324.490 2.415 10 0 DEAERO CC1(C)COC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000313020169 633433609 /nfs/dbraw/zinc/43/36/09/633433609.db2.gz DALMVXVAKZLBJB-LLVKDONJSA-N 1 0 302.216 2.050 10 0 DEAERO [NH3+]CC[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000125492892 633810245 /nfs/dbraw/zinc/81/02/45/633810245.db2.gz FGWBBVXGLDINRD-SNVBAGLBSA-N 1 0 322.352 2.155 10 0 DEAERO COc1cccc(CC(=O)N2CC[NH+]([C@H](C)C3CC3)CC2)c1 ZINC000074766957 633813218 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c1cn(-c2cc(C[NH2+]Cc3ccc4[nH]cnc4c3)ccn2)cn1 ZINC000727468807 637961997 /nfs/dbraw/zinc/96/19/97/637961997.db2.gz RSEPUCOMXVHVKJ-UHFFFAOYSA-N 1 0 304.357 2.433 10 0 DEAERO COC(=O)/C(C)=C\C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000748817044 638594686 /nfs/dbraw/zinc/59/46/86/638594686.db2.gz XUJQJKZCVPOKQN-IJENKCAZSA-N 1 0 322.449 2.076 10 0 DEAERO CN(CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cn1 ZINC000749455260 638650613 /nfs/dbraw/zinc/65/06/13/638650613.db2.gz VCOHMLPHUXMFGD-KBPBESRZSA-N 1 0 324.856 2.160 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)C[C@H](OC)C3)C1 ZINC000752924429 639235497 /nfs/dbraw/zinc/23/54/97/639235497.db2.gz ARWNNBLNOYYVIB-SUMWQHHRSA-N 1 0 317.433 2.264 10 0 DEAERO O=C(C[NH2+]Cc1cnn2ccccc12)Nc1ccc(F)c(F)c1 ZINC000729677548 640824212 /nfs/dbraw/zinc/82/42/12/640824212.db2.gz UBAYWMAHSUEFKP-UHFFFAOYSA-N 1 0 316.311 2.341 10 0 DEAERO C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccc2ccccc2c1 ZINC000899963305 642221404 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314.455 2.351 10 0 DEAERO CC(C)(CO)[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000037888198 683884703 /nfs/dbraw/zinc/88/47/03/683884703.db2.gz ZIOGRNVNNWUAQG-SECBINFHSA-N 1 0 308.205 2.094 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CSCCS1 ZINC000119338169 684079981 /nfs/dbraw/zinc/07/99/81/684079981.db2.gz LKEFBMKDNXXEQM-CHWSQXEVSA-N 1 0 302.509 2.072 10 0 DEAERO [NH3+][C@H](CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000123858330 684129033 /nfs/dbraw/zinc/12/90/33/684129033.db2.gz JSWUGXRGZSTXEA-CABCVRRESA-N 1 0 308.809 2.367 10 0 DEAERO COC(=O)[C@@H](C)C[N@H+](CCC1OCCO1)Cc1ccccc1 ZINC000124086112 684131700 /nfs/dbraw/zinc/13/17/00/684131700.db2.gz HAQMOFHNGXWKDR-AWEZNQCLSA-N 1 0 307.390 2.061 10 0 DEAERO CCOC(C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1)OCC ZINC000125356562 684145266 /nfs/dbraw/zinc/14/52/66/684145266.db2.gz QEOFLYSYRIJZRA-CYBMUJFWSA-N 1 0 304.394 2.317 10 0 DEAERO O=C(Nc1ccc2oc(=O)ccc2c1)N1CCN(C2CC2)CC1 ZINC000127164884 684160808 /nfs/dbraw/zinc/16/08/08/684160808.db2.gz 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RHQBPSQBBCHJTP-RYUDHWBXSA-N 1 0 302.465 2.079 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000722600279 776547341 /nfs/dbraw/zinc/54/73/41/776547341.db2.gz KZOAYELYCPLUTN-GXFFZTMASA-N 1 0 316.492 2.421 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC000722603538 776580156 /nfs/dbraw/zinc/58/01/56/776580156.db2.gz WTJBQVWRBVAHTB-PRHODGIISA-N 1 0 302.465 2.092 10 0 DEAERO CC[C@H]([NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)[C@H]1CCCOC1 ZINC000723954358 777208592 /nfs/dbraw/zinc/20/85/92/777208592.db2.gz IFEWAHMVVHWZSO-IHRRRGAJSA-N 1 0 314.426 2.332 10 0 DEAERO CC(C)(C)OC(=O)N1CC([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000724006143 777219091 /nfs/dbraw/zinc/21/90/91/777219091.db2.gz CLEFGGZTQIPOTH-UKRRQHHQSA-N 1 0 310.438 2.401 10 0 DEAERO CC[C@@H]1C[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CCCO1 ZINC000724110311 777242398 /nfs/dbraw/zinc/24/23/98/777242398.db2.gz FSJHJZONEPKBLI-NXEZZACHSA-N 1 0 305.287 2.436 10 0 DEAERO CC[N@H+](CCO)CCNC(=O)/C(C)=C\c1ccc(Cl)cc1 ZINC000588488340 777272133 /nfs/dbraw/zinc/27/21/33/777272133.db2.gz HBGCEZOPRJPLCB-SEYXRHQNSA-N 1 0 310.825 2.174 10 0 DEAERO COc1ccccc1/C(C)=C\C(=O)N1CC[NH+]2CCC1CC2 ZINC000588561895 777418400 /nfs/dbraw/zinc/41/84/00/777418400.db2.gz QQMAZWDFWIYBER-YPKPFQOOSA-N 1 0 300.402 2.405 10 0 DEAERO C[C@@H]1C[C@@H](N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c2nccn21 ZINC000722475598 778731375 /nfs/dbraw/zinc/73/13/75/778731375.db2.gz MKBKHAHIYOIFLI-GRYCIOLGSA-N 1 0 308.382 2.029 10 0 DEAERO Cc1n[nH]cc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721850090 780347292 /nfs/dbraw/zinc/34/72/92/780347292.db2.gz QOCKVZJQHACTNM-ZDUSSCGKSA-N 1 0 308.426 2.453 10 0 DEAERO Cn1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cn1 ZINC000721853385 780371094 /nfs/dbraw/zinc/37/10/94/780371094.db2.gz ZRFABRYYKSEFBV-CYBMUJFWSA-N 1 0 308.426 2.155 10 0 DEAERO Brc1cncc(-c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)c1 ZINC000721180015 784170710 /nfs/dbraw/zinc/17/07/10/784170710.db2.gz TXJHMZFRDBONBU-VWYCJHECSA-N 1 0 321.178 2.217 10 0 DEAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@H](C)Oc1cccnc1 ZINC000186263121 784368870 /nfs/dbraw/zinc/36/88/70/784368870.db2.gz UGLUCLWXBLNTCE-GJZGRUSLSA-N 1 0 305.422 2.230 10 0 DEAERO Cc1ccn2ncc(C(=O)N[C@H](C)C[NH+]3CCCCCC3)c2n1 ZINC000186301374 784372021 /nfs/dbraw/zinc/37/20/21/784372021.db2.gz GOCMSJXHDYBPEI-CQSZACIVSA-N 1 0 315.421 2.032 10 0 DEAERO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)oc1C ZINC000712308934 784812568 /nfs/dbraw/zinc/81/25/68/784812568.db2.gz GXTPJIPLJSMORD-SECBINFHSA-N 1 0 301.184 2.175 10 0 DEAERO CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(Br)c1 ZINC000712309388 784813159 /nfs/dbraw/zinc/81/31/59/784813159.db2.gz CSRKBCVBCZGMQK-VIFPVBQESA-N 1 0 303.225 2.335 10 0 DEAERO O=C(C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)NCc1ccccc1 ZINC000723966108 787346192 /nfs/dbraw/zinc/34/61/92/787346192.db2.gz SMXRQEOURJGRSI-SJLPKXTDSA-N 1 0 302.418 2.098 10 0 DEAERO C[C@@](O)(C[NH2+]C[C@@H]1CC(C)(C)CO1)C(F)(F)C(F)(F)F ZINC000724075763 787348432 /nfs/dbraw/zinc/34/84/32/787348432.db2.gz XLGQBRQUGQNCAO-WCBMZHEXSA-N 1 0 305.287 2.340 10 0 DEAERO CCO[C@@H]1CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724111909 787350339 /nfs/dbraw/zinc/35/03/39/787350339.db2.gz QMRBHXUTTKELPN-ZJUUUORDSA-N 1 0 305.287 2.436 10 0 DEAERO CC[N@H+](C[C@@H]1CCCO1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724113167 787350388 /nfs/dbraw/zinc/35/03/88/787350388.db2.gz ZLDURXWIEFFQKA-VHSXEESVSA-N 1 0 305.287 2.436 10 0 DEAERO Cn1cc(C[NH2+]C[C@H]2CCOC2(C)C)c(Br)n1 ZINC000712458690 792189084 /nfs/dbraw/zinc/18/90/84/792189084.db2.gz HUHLHSUAJATNCH-SNVBAGLBSA-N 1 0 302.216 2.087 10 0 DEAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCc2ccc(Br)cc2)C1 ZINC000713252355 792218278 /nfs/dbraw/zinc/21/82/78/792218278.db2.gz ASFQBDAOFUJHLU-NJZAAPMLSA-N 1 0 323.234 2.235 10 0 DEAERO Cc1ccc(NC(=O)[C@@H]2CO[C@@H](C[NH3+])C2)cc1Br ZINC000713799292 792244542 /nfs/dbraw/zinc/24/45/42/792244542.db2.gz ZUCPGZVMMDENCH-GXSJLCMTSA-N 1 0 313.195 2.060 10 0 DEAERO CN(Cc1cn(C)nc1Br)CC1([NH+](C)C)CCC1 ZINC000713820392 792260440 /nfs/dbraw/zinc/26/04/40/792260440.db2.gz AKMAEQFPZNOABZ-UHFFFAOYSA-N 1 0 315.259 2.099 10 0 DEAERO Cn1cc(CN2C[C@@H]([NH3+])Cc3ccccc32)c(Br)n1 ZINC000714088240 792284931 /nfs/dbraw/zinc/28/49/31/792284931.db2.gz XCILOARCQZKTRA-LBPRGKRZSA-N 1 0 321.222 2.073 10 0 DEAERO CCC1([NH3+])CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000714320223 792307996 /nfs/dbraw/zinc/30/79/96/792307996.db2.gz ICPPWLZRCPPLQP-UHFFFAOYSA-N 1 0 320.817 2.371 10 0 DEAERO Cc1nc([C@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)c(C)s1 ZINC000714334754 792308263 /nfs/dbraw/zinc/30/82/63/792308263.db2.gz KMGRKKCGCHOXJM-JOYOIKCWSA-N 1 0 302.465 2.378 10 0 DEAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCS2(=O)=O)CCO1 ZINC000714336186 792309492 /nfs/dbraw/zinc/30/94/92/792309492.db2.gz ACOGQOOSIOVSQZ-MJBXVCDLSA-N 1 0 303.468 2.137 10 0 DEAERO CO[C@H]1C[C@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000714598452 792321260 /nfs/dbraw/zinc/32/12/60/792321260.db2.gz MVWURBKJQWITJL-BPNCWPANSA-N 1 0 314.223 2.497 10 0 DEAERO C[C@@H]1CCCN(S(=O)(=O)CCCC2CC2)[C@@H]1CCC[NH3+] ZINC000714956808 792375995 /nfs/dbraw/zinc/37/59/95/792375995.db2.gz MHFXXBMRFWFMQG-UKRRQHHQSA-N 1 0 302.484 2.346 10 0 DEAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccnn1C ZINC000715066724 792379928 /nfs/dbraw/zinc/37/99/28/792379928.db2.gz KBYSMVICIWSLLB-HIFPTAJRSA-N 1 0 308.426 2.374 10 0 DEAERO CCCn1cc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)nn1 ZINC000715092478 792380904 /nfs/dbraw/zinc/38/09/04/792380904.db2.gz HNDVVJKQAAIMJR-UHFFFAOYSA-N 1 0 323.441 2.081 10 0 DEAERO O=C(NC12CC[NH+](CC1)C2)c1cccc(Br)c1F ZINC000715502888 792471433 /nfs/dbraw/zinc/47/14/33/792471433.db2.gz VPIWQRPJFIESBC-UHFFFAOYSA-N 1 0 313.170 2.166 10 0 DEAERO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C)c1cn(C)nn1 ZINC000715835258 792526037 /nfs/dbraw/zinc/52/60/37/792526037.db2.gz GZYJGQSMXXOYIS-RWMBFGLXSA-N 1 0 323.441 2.111 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CC[C@@H](O)C(F)F)C1 ZINC000716751403 793005239 /nfs/dbraw/zinc/00/52/39/793005239.db2.gz GJHOUKYMGMWDAL-QJPTWQEYSA-N 1 0 322.396 2.428 10 0 DEAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1sccc1Br ZINC000716775295 793007146 /nfs/dbraw/zinc/00/71/46/793007146.db2.gz PQANVJKOEGYPRV-JECWYVHBSA-N 1 0 303.225 2.425 10 0 DEAERO [NH3+][C@@H]1CN(CCCOCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000717152396 799256473 /nfs/dbraw/zinc/25/64/73/799256473.db2.gz RBLUMKNMJWUTPY-DTWKUNHWSA-N 1 0 308.266 2.167 10 0 DEAERO C[C@H]1CCC(C)(C)C[C@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000717531725 799423794 /nfs/dbraw/zinc/42/37/94/799423794.db2.gz HULDBRBQJZZYIH-UONOGXRCSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@@H]([NH2+]Cc1cccc([C@]2(C)NC(=O)NC2=O)c1)c1ccco1 ZINC000178382758 801678771 /nfs/dbraw/zinc/67/87/71/801678771.db2.gz NKHBAUOMJHKNDK-DIFFPNOSSA-N 1 0 313.357 2.185 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCc2ccn(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC000401694957 801841980 /nfs/dbraw/zinc/84/19/80/801841980.db2.gz JPHMZRIICFNHPB-ZFWWWQNUSA-N 1 0 322.453 2.198 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]C2CCN(C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401719546 801845077 /nfs/dbraw/zinc/84/50/77/801845077.db2.gz MUADQMZKPYHZSD-DZGCQCFKSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401737498 801847075 /nfs/dbraw/zinc/84/70/75/801847075.db2.gz ZRRYHYFYVIDFIU-QPSCCSFWSA-N 1 0 312.454 2.383 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2cn[nH]c2)C12CCC2 ZINC000405337768 802052466 /nfs/dbraw/zinc/05/24/66/802052466.db2.gz GICYKHGTLPDZDG-STQMWFEESA-N 1 0 306.410 2.335 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2O)C12CCC2 ZINC000405356758 802060056 /nfs/dbraw/zinc/06/00/56/802060056.db2.gz RMCWECKASMILEF-XDQVBPFNSA-N 1 0 310.438 2.325 10 0 DEAERO COc1cc(C[NH2+]CCCOC[C@@H]2CCCO2)cc(OC)c1 ZINC000058013645 1078767916 /nfs/dbraw/zinc/76/79/16/1078767916.db2.gz SGLFAIFRCPSJDO-HNNXBMFYSA-N 1 0 309.406 2.379 10 0 DEAERO COc1cccc(C[NH2+]CCCN2CCOCC2)c1OC(C)C ZINC000060806514 1078877517 /nfs/dbraw/zinc/87/75/17/1078877517.db2.gz RCEIGSRGVPVFKO-UHFFFAOYSA-N 1 0 322.449 2.294 10 0 DEAERO COc1ccc(C[NH2+]CCC(=O)N2CCCCC2)cc1OC ZINC000069715527 1079969899 /nfs/dbraw/zinc/96/98/99/1079969899.db2.gz LYALSLRIJSTCQU-UHFFFAOYSA-N 1 0 306.406 2.196 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(CC[NH2+][C@]23C[C@H]2COC3)CC1 ZINC000717975761 1081854740 /nfs/dbraw/zinc/85/47/40/1081854740.db2.gz FKCXOSCMLVEUIO-YOEHRIQHSA-N 1 0 310.438 2.402 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000721848468 1082312275 /nfs/dbraw/zinc/31/22/75/1082312275.db2.gz MTKYBSWDFRQJPF-BXUZGUMPSA-N 1 0 310.394 2.117 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1cc[nH]n1 ZINC000721032706 1085599834 /nfs/dbraw/zinc/59/98/34/1085599834.db2.gz WFJFMGTZRLDQFL-CHWSQXEVSA-N 1 0 308.426 2.392 10 0 DEAERO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2Br)C1 ZINC000720645727 1085802040 /nfs/dbraw/zinc/80/20/40/1085802040.db2.gz LZIFYTOSECNBSV-GHMZBOCLSA-N 1 0 302.216 2.230 10 0 DEAERO Cn1cc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c(Br)n1 ZINC000720657952 1085819462 /nfs/dbraw/zinc/81/94/62/1085819462.db2.gz XSACEWUTWVWGFV-NEPJUHHUSA-N 1 0 314.227 2.230 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Br)nc1 ZINC000720831667 1086194797 /nfs/dbraw/zinc/19/47/97/1086194797.db2.gz WMBJZICQTOLZGB-RYUDHWBXSA-N 1 0 324.222 2.153 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)/C=C\c2ccc(Br)o2)C[NH2+]1 ZINC000700610872 1086321948 /nfs/dbraw/zinc/32/19/48/1086321948.db2.gz KHYZDCTWTMTOOE-LZDAAXCASA-N 1 0 313.195 2.312 10 0 DEAERO O=C(/C=C\c1ccc(Br)o1)NC[C@H]1CCCC[NH2+]1 ZINC000700638876 1086322912 /nfs/dbraw/zinc/32/29/12/1086322912.db2.gz SIRMDFPNAODCTG-ONRRBMGISA-N 1 0 313.195 2.314 10 0 DEAERO [NH3+][C@H]1CC[C@H](NC(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000700634009 1086323377 /nfs/dbraw/zinc/32/33/77/1086323377.db2.gz BGTDFZGUMPHEKZ-YYHSJERFSA-N 1 0 313.195 2.441 10 0 DEAERO C[C@@]12CN(c3ncc(C=O)cn3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702091392 1086406592 /nfs/dbraw/zinc/40/65/92/1086406592.db2.gz YTYGMMGSRQULNR-PKOBYXMFSA-N 1 0 322.412 2.247 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc([C@@H]2CCCOC2)no1 ZINC000702210904 1086414220 /nfs/dbraw/zinc/41/42/20/1086414220.db2.gz ZDBGVQSZFWPPHV-CABCVRRESA-N 1 0 316.405 2.095 10 0 DEAERO C[C@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000702358486 1086423236 /nfs/dbraw/zinc/42/32/36/1086423236.db2.gz SALLJVAOXSRNPB-ZBFHGGJFSA-N 1 0 305.466 2.244 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCOCCF)CN(C(=O)OC(C)(C)C)C1 ZINC000702654483 1086452223 /nfs/dbraw/zinc/45/22/23/1086452223.db2.gz NVJUJHQFRXKPFP-CHWSQXEVSA-N 1 0 304.406 2.208 10 0 DEAERO O=C(NCCC1SCCS1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000703339275 1086494057 /nfs/dbraw/zinc/49/40/57/1086494057.db2.gz BYRZNUUIMXWAMY-WOPDTQHZSA-N 1 0 300.493 2.220 10 0 DEAERO Cn1c(Cl)c(Cl)cc1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703563404 1086524750 /nfs/dbraw/zinc/52/47/50/1086524750.db2.gz YLBHEXUPVNNZNH-ISVAXAHUSA-N 1 0 302.205 2.013 10 0 DEAERO Cc1ccc(C[NH2+]C(C)(C)CNS(C)(=O)=O)cc1Cl ZINC000708293371 1086678254 /nfs/dbraw/zinc/67/82/54/1086678254.db2.gz RECXFWRZSVSLPC-UHFFFAOYSA-N 1 0 304.843 2.066 10 0 DEAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000708679370 1086679386 /nfs/dbraw/zinc/67/93/86/1086679386.db2.gz HRXPPXIDDBEMCD-ZACQAIPSSA-N 1 0 318.417 2.412 10 0 DEAERO C[C@H]1[C@@H]([NH2+]CCCN2CCOC2=O)CCN1Cc1ccccc1 ZINC000709785486 1086684833 /nfs/dbraw/zinc/68/48/33/1086684833.db2.gz KNVZCPJQCJVPLW-RDJZCZTQSA-N 1 0 317.433 2.081 10 0 DEAERO [NH3+]Cc1nc2c(s1)CCN(Cc1ncc(Cl)s1)C2 ZINC000710145457 1086687481 /nfs/dbraw/zinc/68/74/81/1086687481.db2.gz CUAPFXVMLJOQKT-UHFFFAOYSA-N 1 0 300.840 2.270 10 0 DEAERO CN(CCCCCC[NH3+])Cc1c(Br)cnn1C ZINC000710723731 1086688354 /nfs/dbraw/zinc/68/83/54/1086688354.db2.gz GXOMKYIUMUJAMI-UHFFFAOYSA-N 1 0 303.248 2.134 10 0 DEAERO CN(CCCCCC[NH3+])S(=O)(=O)c1cccc(Cl)c1 ZINC000710684138 1086688641 /nfs/dbraw/zinc/68/86/41/1086688641.db2.gz UAUBZHBHANFFFH-UHFFFAOYSA-N 1 0 304.843 2.480 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000710945983 1086691637 /nfs/dbraw/zinc/69/16/37/1086691637.db2.gz HFFOHACBJDQOHX-GFCCVEGCSA-N 1 0 314.426 2.175 10 0 DEAERO C[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000710985880 1086692384 /nfs/dbraw/zinc/69/23/84/1086692384.db2.gz ZPFGPZTWIFXOHI-BREBYQMCSA-N 1 0 320.216 2.358 10 0 DEAERO CC1(C)CC[C@@H](C[NH2+]Cc2nc(Br)c[nH]2)OC1 ZINC000711229016 1087024083 /nfs/dbraw/zinc/02/40/83/1087024083.db2.gz VXQPLCSKFJYBIW-VIFPVBQESA-N 1 0 302.216 2.467 10 0 DEAERO O[C@@H](C[NH2+]C[C@H]1CCC2(CCC2)O1)COCc1ccccc1 ZINC000711511709 1087146756 /nfs/dbraw/zinc/14/67/56/1087146756.db2.gz AEWGWXLOHOPFOX-DLBZAZTESA-N 1 0 305.418 2.255 10 0 DEAERO CC(C)(C)OC(=O)N1CC([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000711840628 1087206153 /nfs/dbraw/zinc/20/61/53/1087206153.db2.gz OGSICFFWJSCUGA-HIFRSBDPSA-N 1 0 310.438 2.401 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000718560840 1088597884 /nfs/dbraw/zinc/59/78/84/1088597884.db2.gz UTXZLYBGJPBISB-UHFFFAOYSA-N 1 0 315.186 2.332 10 0 DEAERO CN(CCCS(=O)(=O)C(C)(C)C)C1(C[NH3+])CCCCC1 ZINC000718746821 1088637026 /nfs/dbraw/zinc/63/70/26/1088637026.db2.gz PIIFPHUGAFJRMV-UHFFFAOYSA-N 1 0 304.500 2.183 10 0 DEAERO CCN(Cc1nc(C)c(Br)s1)[C@H]1CC[NH2+]C1 ZINC000719251031 1088915596 /nfs/dbraw/zinc/91/55/96/1088915596.db2.gz HRHXHDRFHIWGCA-VIFPVBQESA-N 1 0 304.257 2.398 10 0 DEAERO Cc1nc(C[NH2+][C@H]2C[C@H](O)C2(C)C)sc1Br ZINC000719272569 1088917283 /nfs/dbraw/zinc/91/72/83/1088917283.db2.gz DOQWXKCDRRXFDX-YUMQZZPRSA-N 1 0 305.241 2.463 10 0 DEAERO CC[S@](=O)CCNCc1nc(C)c(Br)s1 ZINC000719326851 1088955851 /nfs/dbraw/zinc/95/58/51/1088955851.db2.gz JGCXDDUMUGMPPR-HNNXBMFYSA-N 1 0 311.270 2.072 10 0 DEAERO O=C(NCc1ccccc1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720446916 1089940603 /nfs/dbraw/zinc/94/06/03/1089940603.db2.gz HJHNSGPHKIYFQS-GJZGRUSLSA-N 1 0 305.447 2.066 10 0 DEAERO C[C@](O)(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)C(F)(F)C(F)(F)F ZINC000724022789 1143896468 /nfs/dbraw/zinc/89/64/68/1143896468.db2.gz MFHOHIOPIFSUTK-BBBLOLIVSA-N 1 0 303.271 2.092 10 0 DEAERO CCCn1cncc1C[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000381722298 1144382481 /nfs/dbraw/zinc/38/24/81/1144382481.db2.gz CLVFIDQGXFGEAK-SREVYHEPSA-N 1 0 308.426 2.464 10 0 DEAERO CCOC(=O)c1c(CC)c(C)sc1NC(=O)CC1C[NH2+]C1 ZINC000081765868 192321851 /nfs/dbraw/zinc/32/18/51/192321851.db2.gz YYUJECIRXNJEJR-UHFFFAOYSA-N 1 0 310.419 2.344 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000278296480 214073677 /nfs/dbraw/zinc/07/36/77/214073677.db2.gz HOQNURYFBHTISP-SUMWQHHRSA-N 1 0 317.433 2.224 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1Sc1nccc(=O)[nH]1 ZINC000081774702 192322340 /nfs/dbraw/zinc/32/23/40/192322340.db2.gz IJEJQTQCVAOCNR-GXTWGEPZSA-N 1 0 303.387 2.386 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCOc1ccc(Cl)cc1 ZINC000139401306 282101090 /nfs/dbraw/zinc/10/10/90/282101090.db2.gz FOTSIXWAZSYOFA-ZDUSSCGKSA-N 1 0 311.813 2.112 10 0 DEAERO CC[NH2+][C@@H](CSCC(=O)OCC)c1ccc2c(c1)OCO2 ZINC000081795694 192324787 /nfs/dbraw/zinc/32/47/87/192324787.db2.gz PSBGHJXDLNRFOL-LBPRGKRZSA-N 1 0 311.403 2.362 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1Sc1nnc(C)s1)OCCO2 ZINC000081873473 192332940 /nfs/dbraw/zinc/33/29/40/192332940.db2.gz JEUJHMGAVPTWCB-GHMZBOCLSA-N 1 0 315.464 2.212 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1ncc(C)cn1)OCCO2 ZINC000081893740 192334605 /nfs/dbraw/zinc/33/46/05/192334605.db2.gz VMUIREOPBVNARU-OLZOCXBDSA-N 1 0 309.435 2.151 10 0 DEAERO CCO[C@@H](CC)[C@@H]([NH3+])c1c(Br)cnn1CCOC ZINC000162308405 197558972 /nfs/dbraw/zinc/55/89/72/197558972.db2.gz CEHONNISFXOGNB-WDEREUQCSA-N 1 0 320.231 2.107 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CCCS1)c1ccccc1 ZINC000162890221 282116596 /nfs/dbraw/zinc/11/65/96/282116596.db2.gz PAVHZTSGGICWRQ-HUUCEWRRSA-N 1 0 307.463 2.484 10 0 DEAERO c1ccc(C[N@H+]2CCCN(CCOC3CCOCC3)CC2)cc1 ZINC000625062423 365630364 /nfs/dbraw/zinc/63/03/64/365630364.db2.gz SUFBPCXSSAAONS-UHFFFAOYSA-N 1 0 318.461 2.390 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)c1cccs1)c1ccc(OC)cc1 ZINC000081926397 192340115 /nfs/dbraw/zinc/34/01/15/192340115.db2.gz CBNDSWIPEHWVRC-ZDUSSCGKSA-N 1 0 311.428 2.491 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)C(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000081924121 192340511 /nfs/dbraw/zinc/34/05/11/192340511.db2.gz JSMJTVDGFLADOG-GFCCVEGCSA-N 1 0 315.435 2.178 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1[C@H]1CCC(=O)C1 ZINC000163038125 197607952 /nfs/dbraw/zinc/60/79/52/197607952.db2.gz UCBVQMASLJBUKX-VIFPVBQESA-N 1 0 300.200 2.044 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2n[nH]c3ccc(Cl)cc32)C1 ZINC000278507512 214200332 /nfs/dbraw/zinc/20/03/32/214200332.db2.gz AGLCVLBQBBEQEI-LLVKDONJSA-N 1 0 306.797 2.383 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1S(=O)(=O)c1ccccc1Br ZINC000081932223 192341376 /nfs/dbraw/zinc/34/13/76/192341376.db2.gz ZRJMOIDTZCOAHG-MWLCHTKSSA-N 1 0 304.209 2.103 10 0 DEAERO O=S(=O)(CCC[NH2+]C1CC1)c1ccccc1Br ZINC000081931875 192341614 /nfs/dbraw/zinc/34/16/14/192341614.db2.gz KKUIBXWSOOCUFG-UHFFFAOYSA-N 1 0 318.236 2.365 10 0 DEAERO COC(=O)[C@](C)(c1ccc(F)cc1Cl)N1CCC[NH2+]CC1 ZINC000078901415 185126307 /nfs/dbraw/zinc/12/63/07/185126307.db2.gz LECWXYCHZIHJCF-HNNXBMFYSA-N 1 0 314.788 2.163 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)CCOC)c1ccc(CC)cc1 ZINC000081961904 192345159 /nfs/dbraw/zinc/34/51/59/192345159.db2.gz YTWLRLQLMJCDMK-MRXNPFEDSA-N 1 0 313.463 2.351 10 0 DEAERO CCS(=O)(=O)c1ccccc1NC(=O)CC[C@@H](C)CC[NH3+] ZINC000079117299 185159300 /nfs/dbraw/zinc/15/93/00/185159300.db2.gz PFLSBPCVHIVMLL-GFCCVEGCSA-N 1 0 312.435 2.184 10 0 DEAERO CC(C)(C)[C@H]1CCCN(C2(C[NH3+])CCS(=O)(=O)CC2)CC1 ZINC000079307114 185164291 /nfs/dbraw/zinc/16/42/91/185164291.db2.gz JGTCDTAQSRXFKU-AWEZNQCLSA-N 1 0 316.511 2.041 10 0 DEAERO CC[C@H](CC[NH3+])CCC(=O)N(CCC(=O)OC)CC(C)C ZINC000079210505 185161497 /nfs/dbraw/zinc/16/14/97/185161497.db2.gz PDFSIQPCEUAVAM-AWEZNQCLSA-N 1 0 300.443 2.189 10 0 DEAERO CCC[C@@H](CC[NH3+])CCC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC ZINC000079237784 185162140 /nfs/dbraw/zinc/16/21/40/185162140.db2.gz FQHSXPBAKFPHLR-GZBFAFLISA-N 1 0 300.443 2.236 10 0 DEAERO CC(C)[NH2+][C@@](CSc1ncccc1Cl)(C(N)=O)C1CC1 ZINC000079448579 185172282 /nfs/dbraw/zinc/17/22/82/185172282.db2.gz HMVMODQIVTXTPP-CQSZACIVSA-N 1 0 313.854 2.459 10 0 DEAERO COC(=O)c1ccc(Cl)c(NC(=O)c2c[nH+]ccc2N)c1 ZINC000082334737 185176173 /nfs/dbraw/zinc/17/61/73/185176173.db2.gz XWJPFQJBXYCDFD-UHFFFAOYSA-N 1 0 305.721 2.356 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2sccc2Br)CCC1=O ZINC000082756945 185202674 /nfs/dbraw/zinc/20/26/74/185202674.db2.gz PUKNWAOEXRJHFL-QMMMGPOBSA-N 1 0 303.225 2.221 10 0 DEAERO O[C@H](c1ccc(I)cc1)[C@H]1CCCC[NH2+]1 ZINC000082954588 185209540 /nfs/dbraw/zinc/20/95/40/185209540.db2.gz KYUXQCXTKONMAJ-VXGBXAGGSA-N 1 0 317.170 2.467 10 0 DEAERO C[C@@H](C[C@](C)(O)C[NH3+])Sc1ncccc1Br ZINC000082917603 185209643 /nfs/dbraw/zinc/20/96/43/185209643.db2.gz PZRJZDUUUSXISD-KWQFWETISA-N 1 0 305.241 2.425 10 0 DEAERO Ic1ccccc1N1CCC[NH2+]CC1 ZINC000083092337 185213109 /nfs/dbraw/zinc/21/31/09/185213109.db2.gz DTDJSCAGQILJNS-UHFFFAOYSA-N 1 0 302.159 2.091 10 0 DEAERO O=c1[nH]ccnc1N1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000328646619 231282860 /nfs/dbraw/zinc/28/28/60/231282860.db2.gz STHRVYTYACHYOR-OAHLLOKOSA-N 1 0 323.400 2.422 10 0 DEAERO CCOCC[C@@H](O)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000087378690 185223210 /nfs/dbraw/zinc/22/32/10/185223210.db2.gz FCYHWVMMKMXXNA-CHWSQXEVSA-N 1 0 302.212 2.279 10 0 DEAERO CC(C)[C@H](C[NH3+])NC(=O)c1ccc(Br)c(F)c1 ZINC000087388050 185223374 /nfs/dbraw/zinc/22/33/74/185223374.db2.gz MPEABXFSXQLAHG-NSHDSACASA-N 1 0 303.175 2.301 10 0 DEAERO [NH3+]C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC1 ZINC000087384357 185223413 /nfs/dbraw/zinc/22/34/13/185223413.db2.gz BMTPRYHEGDDRFO-NSHDSACASA-N 1 0 308.325 2.129 10 0 DEAERO [NH3+]C[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC1 ZINC000087384358 185223458 /nfs/dbraw/zinc/22/34/58/185223458.db2.gz BMTPRYHEGDDRFO-LLVKDONJSA-N 1 0 308.325 2.129 10 0 DEAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000087403999 185223846 /nfs/dbraw/zinc/22/38/46/185223846.db2.gz NQRPLHYJZYZGGI-ZCFIWIBFSA-N 1 0 317.263 2.461 10 0 DEAERO CCOC(=O)Cc1nn(C[C@@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC000087493501 185226697 /nfs/dbraw/zinc/22/66/97/185226697.db2.gz KTVMEMDWFSFQIH-CQSZACIVSA-N 1 0 315.417 2.484 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000173255308 282189700 /nfs/dbraw/zinc/18/97/00/282189700.db2.gz YLPZDBAJDKJMTQ-GDBMZVCRSA-N 1 0 310.463 2.346 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)s1 ZINC000087779106 185231852 /nfs/dbraw/zinc/23/18/52/185231852.db2.gz KXPRKWZZPDUOJE-JQWIXIFHSA-N 1 0 300.449 2.160 10 0 DEAERO Ic1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)o1 ZINC000087790696 185232044 /nfs/dbraw/zinc/23/20/44/185232044.db2.gz MAMODGPJHSLBAN-QNSHHTMESA-N 1 0 319.142 2.294 10 0 DEAERO COc1ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc1OC(F)F ZINC000087522232 185227576 /nfs/dbraw/zinc/22/75/76/185227576.db2.gz BGRYKLPVQMTUMK-JTQLQIEISA-N 1 0 302.321 2.466 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)N(C)Cc1ccc(Br)o1 ZINC000087527158 185227744 /nfs/dbraw/zinc/22/77/44/185227744.db2.gz BTVCFUADMQRLDF-VIFPVBQESA-N 1 0 303.200 2.376 10 0 DEAERO C[NH2+]C1(CC(=O)N(CCOC)[C@H]2CCSC2)CCCCC1 ZINC000087577194 185228885 /nfs/dbraw/zinc/22/88/85/185228885.db2.gz BKFOXDURGGOCPL-AWEZNQCLSA-N 1 0 314.495 2.279 10 0 DEAERO C[C@H](C[NH3+])C[S@](=O)Cc1cc(Br)ccc1F ZINC000088089805 185239558 /nfs/dbraw/zinc/23/95/58/185239558.db2.gz HASAOONSLVMPBR-VPTHRUTESA-N 1 0 308.216 2.432 10 0 DEAERO O[C@@H]1CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000328817218 231356208 /nfs/dbraw/zinc/35/62/08/231356208.db2.gz NYUCOGXDNDJYME-RRFJBIMHSA-N 1 0 321.421 2.089 10 0 DEAERO NNc1nc(NCc2cccc(F)c2)c(Br)c[nH+]1 ZINC000087905307 185237395 /nfs/dbraw/zinc/23/73/95/185237395.db2.gz ARGPQLFORVTKEC-UHFFFAOYSA-N 1 0 312.146 2.276 10 0 DEAERO [NH3+]C[C@H](NC[C@@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000087928231 185237652 /nfs/dbraw/zinc/23/76/52/185237652.db2.gz IMCXOBCUIMZHEA-GWCFXTLKSA-N 1 0 317.202 2.357 10 0 DEAERO COc1ccc(Br)cc1C[S@](=O)[C@H](C)C[NH3+] ZINC000088067718 185238595 /nfs/dbraw/zinc/23/85/95/185238595.db2.gz VPLSQOFRBDTANI-VPTHRUTESA-N 1 0 306.225 2.054 10 0 DEAERO CC[NH2+][C@@H](Cc1cccc(Br)c1)[C@@H]1COCCO1 ZINC000087857866 185233795 /nfs/dbraw/zinc/23/37/95/185233795.db2.gz VZIBXPFZYZSIAA-KBPBESRZSA-N 1 0 314.223 2.385 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C12CCCC2 ZINC000173513249 282191137 /nfs/dbraw/zinc/19/11/37/282191137.db2.gz IVZXMJORLQNAQA-OWCLPIDISA-N 1 0 321.465 2.214 10 0 DEAERO NNc1nc(NCCc2ccsc2)c(Br)c[nH+]1 ZINC000087865416 185233990 /nfs/dbraw/zinc/23/39/90/185233990.db2.gz FLDPCAMJEKOZMH-UHFFFAOYSA-N 1 0 314.212 2.241 10 0 DEAERO CCC[NH2+]CC(=O)Nc1ccc(OC)c(Br)c1 ZINC000088321922 185245745 /nfs/dbraw/zinc/24/57/45/185245745.db2.gz ILCQXEWQGUSNDK-UHFFFAOYSA-N 1 0 301.184 2.396 10 0 DEAERO C[C@H](C(=O)Nc1cccc(C[NH3+])c1)N(C)CCC(F)(F)F ZINC000088417592 185249292 /nfs/dbraw/zinc/24/92/92/185249292.db2.gz OFBQICWUAFKJNM-SNVBAGLBSA-N 1 0 303.328 2.357 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000088419179 185249360 /nfs/dbraw/zinc/24/93/60/185249360.db2.gz PXUCSVDYEMJSLF-LLVKDONJSA-N 1 0 322.352 2.108 10 0 DEAERO CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088544151 185256892 /nfs/dbraw/zinc/25/68/92/185256892.db2.gz HHKNNONFALYQRV-UHFFFAOYSA-N 1 0 312.366 2.353 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC[C@H]2C)o1 ZINC000088551224 185257472 /nfs/dbraw/zinc/25/74/72/185257472.db2.gz ZZNBSNZWIWTOLQ-GFCCVEGCSA-N 1 0 300.424 2.342 10 0 DEAERO C[C@@H]1CCCCC[C@@H]1NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000088516016 185254650 /nfs/dbraw/zinc/25/46/50/185254650.db2.gz VFOOBNFOSXJGGI-ILXRZTDVSA-N 1 0 302.484 2.407 10 0 DEAERO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088539911 185255357 /nfs/dbraw/zinc/25/53/57/185255357.db2.gz CUARBTXXVYDKPM-GFCCVEGCSA-N 1 0 302.440 2.444 10 0 DEAERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(S(=O)(=O)NC)o1 ZINC000088539921 185255593 /nfs/dbraw/zinc/25/55/93/185255593.db2.gz VNLQJXVGZMQZAK-GFCCVEGCSA-N 1 0 302.440 2.494 10 0 DEAERO CC(C)[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088541819 185255885 /nfs/dbraw/zinc/25/58/85/185255885.db2.gz ABMCSRWVSCVEDT-LLVKDONJSA-N 1 0 302.440 2.491 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)o1 ZINC000088543344 185256387 /nfs/dbraw/zinc/25/63/87/185256387.db2.gz FDKDRPFSJWPZMK-TXEJJXNPSA-N 1 0 300.424 2.056 10 0 DEAERO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000088704714 185262681 /nfs/dbraw/zinc/26/26/81/185262681.db2.gz XAAQYXYWJAIQRW-RYUDHWBXSA-N 1 0 305.447 2.380 10 0 DEAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ncnn1C ZINC000088571707 185258327 /nfs/dbraw/zinc/25/83/27/185258327.db2.gz BUMBCURQSYPFQZ-UHFFFAOYSA-N 1 0 301.177 2.420 10 0 DEAERO CCn1ncnc1C[C@H](C[NH3+])Cc1ccccc1Br ZINC000088620114 185260255 /nfs/dbraw/zinc/26/02/55/185260255.db2.gz XPPPXRQUOQYLQR-LLVKDONJSA-N 1 0 323.238 2.421 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000333563898 282956845 /nfs/dbraw/zinc/95/68/45/282956845.db2.gz LROHCYHHBOYNIR-RBSFLKMASA-N 1 0 309.454 2.166 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2C(N)=S)C1 ZINC000088704633 185262602 /nfs/dbraw/zinc/26/26/02/185262602.db2.gz DTPVKSZSFZUKDM-NEPJUHHUSA-N 1 0 305.447 2.380 10 0 DEAERO Cc1ccccc1S(=O)(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088719090 185263302 /nfs/dbraw/zinc/26/33/02/185263302.db2.gz CWPBJPMLOPAAMS-GOOCMWNKSA-N 1 0 308.447 2.289 10 0 DEAERO COc1cccc([C@H]([NH3+])CS(=O)(=O)c2ccccc2C)c1 ZINC000081978409 192349696 /nfs/dbraw/zinc/34/96/96/192349696.db2.gz MUMCRYFKPISDFE-OAHLLOKOSA-N 1 0 305.399 2.477 10 0 DEAERO C[NH2+][C@@H](C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000081982874 192349803 /nfs/dbraw/zinc/34/98/03/192349803.db2.gz UCPWRJUNSMJHOU-VIFPVBQESA-N 1 0 306.225 2.221 10 0 DEAERO COc1ccccc1S(=O)(=O)C[C@@H]([NH3+])c1ccccc1C ZINC000081987653 192350482 /nfs/dbraw/zinc/35/04/82/192350482.db2.gz FKQNNNNKPMRJAL-CQSZACIVSA-N 1 0 305.399 2.477 10 0 DEAERO COc1ccccc1S(=O)(=O)C[C@H]([NH3+])c1ccc(C)cc1 ZINC000081987384 192350666 /nfs/dbraw/zinc/35/06/66/192350666.db2.gz XZSZDMNVYWSLMD-AWEZNQCLSA-N 1 0 305.399 2.477 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)C1CCCC1)c1ccc2c(c1)OCO2 ZINC000081988420 192350964 /nfs/dbraw/zinc/35/09/64/192350964.db2.gz BLJHWMJFAYNMJC-ZDUSSCGKSA-N 1 0 311.403 2.033 10 0 DEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000090272240 185288566 /nfs/dbraw/zinc/28/85/66/185288566.db2.gz XPFVIMKNHIQLEW-BBRMVZONSA-N 1 0 315.841 2.466 10 0 DEAERO CC[C@@H]([NH2+]C[C@](C)(O)CO)c1cccc(Br)c1 ZINC000090284463 185289312 /nfs/dbraw/zinc/28/93/12/185289312.db2.gz QONJQHUWRPGOTB-OLZOCXBDSA-N 1 0 302.212 2.233 10 0 DEAERO CCN(C(=O)c1ccc(Br)cc1F)C1C[NH2+]C1 ZINC000090291125 185289765 /nfs/dbraw/zinc/28/97/65/185289765.db2.gz PSZDTNBXWQIRDW-UHFFFAOYSA-N 1 0 301.159 2.022 10 0 DEAERO CCCN(CC(=O)N[C@@H](C)c1ccccc1Cl)C1C[NH2+]C1 ZINC000090293662 185289792 /nfs/dbraw/zinc/28/97/92/185289792.db2.gz OYFIUHCTAHUZGC-LBPRGKRZSA-N 1 0 309.841 2.201 10 0 DEAERO CCCN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C1C[NH2+]C1 ZINC000090293386 185289946 /nfs/dbraw/zinc/28/99/46/185289946.db2.gz XWCNJSSLZDJYDV-UHFFFAOYSA-N 1 0 306.797 2.173 10 0 DEAERO CCC[NH2+]Cc1cn(Cc2c(Cl)c(CC)nn2CC)nn1 ZINC000090296569 185290017 /nfs/dbraw/zinc/29/00/17/185290017.db2.gz BABGOBVGSPQZCU-UHFFFAOYSA-N 1 0 310.833 2.258 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(Cl)s1 ZINC000090331643 185291253 /nfs/dbraw/zinc/29/12/53/185291253.db2.gz MKANAMCJUXLMJY-OPRDCNLKSA-N 1 0 320.867 2.020 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1Cc1cn2cc(Cl)ccc2n1 ZINC000090337655 185291771 /nfs/dbraw/zinc/29/17/71/185291771.db2.gz HVXQVGLXFQKRIY-FZMZJTMJSA-N 1 0 304.825 2.418 10 0 DEAERO C[C@H]([NH3+])CCSCC(=O)NC(=O)c1ccc(Cl)cc1 ZINC000090346596 185292246 /nfs/dbraw/zinc/29/22/46/185292246.db2.gz MZLKSHPYNCBAGG-VIFPVBQESA-N 1 0 300.811 2.067 10 0 DEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000090487833 185298792 /nfs/dbraw/zinc/29/87/92/185298792.db2.gz ZLNZUXOIHBNWMQ-NEPJUHHUSA-N 1 0 313.195 2.012 10 0 DEAERO Cc1cc(Cl)c(NC(=O)[C@H]2COC[C@H]2[NH3+])c2cccnc12 ZINC000090379771 185293737 /nfs/dbraw/zinc/29/37/37/185293737.db2.gz MMTFFXUEVJXRQZ-CMPLNLGQSA-N 1 0 305.765 2.109 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000090432811 185295775 /nfs/dbraw/zinc/29/57/75/185295775.db2.gz ZWHYTUHNMOOISZ-AAEUAGOBSA-N 1 0 305.765 2.061 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000090431480 185296021 /nfs/dbraw/zinc/29/60/21/185296021.db2.gz NEPZJJLRRDBYFM-WCBMZHEXSA-N 1 0 311.794 2.123 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(-c3nccs3)cc2)COC[C@@H]1[NH3+] ZINC000090589673 185305339 /nfs/dbraw/zinc/30/53/39/185305339.db2.gz LMBFDXQGFXLJSV-SWLSCSKDSA-N 1 0 303.387 2.112 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(F)cc(F)c1F ZINC000090544849 185302069 /nfs/dbraw/zinc/30/20/69/185302069.db2.gz RPULISOGXIXFMB-SKDRFNHKSA-N 1 0 302.296 2.057 10 0 DEAERO C[C@]1(c2nc(Cc3c(F)cccc3Cl)no2)COC[C@H]1[NH3+] ZINC000090573784 185304314 /nfs/dbraw/zinc/30/43/14/185304314.db2.gz YVBGWNFJFVYUKN-RISCZKNCSA-N 1 0 311.744 2.068 10 0 DEAERO C[C@]1(c2nc(Cc3ccc(F)cc3Cl)no2)COC[C@H]1[NH3+] ZINC000090573793 185304464 /nfs/dbraw/zinc/30/44/64/185304464.db2.gz MQGCAMZQXGNLPF-RISCZKNCSA-N 1 0 311.744 2.068 10 0 DEAERO C[C@]1(C(=O)Nc2ccccc2SC(F)F)COC[C@H]1[NH3+] ZINC000090580452 185304895 /nfs/dbraw/zinc/30/48/95/185304895.db2.gz MLDGCCXMDSONKD-MFKMUULPSA-N 1 0 302.346 2.304 10 0 DEAERO COc1cccc(C(=O)N2CCCSC[C@@H]2C[NH+](C)C)c1 ZINC000090699819 185310374 /nfs/dbraw/zinc/31/03/74/185310374.db2.gz IOOJIFRDORGOQZ-AWEZNQCLSA-N 1 0 308.447 2.205 10 0 DEAERO Brc1cncnc1N1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000090782646 185311858 /nfs/dbraw/zinc/31/18/58/185311858.db2.gz LMDDIQFLDIXXMV-SNVBAGLBSA-N 1 0 311.227 2.208 10 0 DEAERO C[NH2+][C@@H]1CCCCCC[C@@H]1S(=O)(=O)CC(=O)OC(C)(C)C ZINC000166864064 197699676 /nfs/dbraw/zinc/69/96/76/197699676.db2.gz ODFXJGVMPGQQPI-OLZOCXBDSA-N 1 0 319.467 2.054 10 0 DEAERO [NH3+]CC1(C(=O)N[C@H]2CCC[C@H](OCC(F)(F)F)C2)CCC1 ZINC000166823981 197699905 /nfs/dbraw/zinc/69/99/05/197699905.db2.gz SKHAADNIWARCEF-QWRGUYRKSA-N 1 0 308.344 2.122 10 0 DEAERO CCCS(=O)(=O)[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]CC ZINC000092388649 185315217 /nfs/dbraw/zinc/31/52/17/185315217.db2.gz DRXFUXLGDNWOAE-HOTGVXAUSA-N 1 0 311.447 2.485 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](Sc1nccc(=O)[nH]1)CC2 ZINC000092389349 185315628 /nfs/dbraw/zinc/31/56/28/185315628.db2.gz KPEFAFIPTZIVQV-JSGCOSHPSA-N 1 0 303.387 2.298 10 0 DEAERO CC1CCC(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000179895510 282233726 /nfs/dbraw/zinc/23/37/26/282233726.db2.gz PWKLFAWUNGWIRA-JCYILVPMSA-N 1 0 308.466 2.384 10 0 DEAERO C[N@@H+]1CCN(CCNCC(F)(F)F)[C@H](c2ccccc2)C1 ZINC000092435233 185317783 /nfs/dbraw/zinc/31/77/83/185317783.db2.gz IFKFUGFHTHATTL-AWEZNQCLSA-N 1 0 301.356 2.127 10 0 DEAERO COc1ccc(C[S@](=O)C[C@H](C)C[NH3+])cc1Br ZINC000167309097 197707155 /nfs/dbraw/zinc/70/71/55/197707155.db2.gz YAEZRNPJYVCLDU-XLFHBGCDSA-N 1 0 320.252 2.301 10 0 DEAERO CC[N@@H+]1CC[C@@H](Cn2c(N)nc3cc(Br)cnc32)C1 ZINC000092575366 185326849 /nfs/dbraw/zinc/32/68/49/185326849.db2.gz NGFQBPFYXCYZAL-SECBINFHSA-N 1 0 324.226 2.118 10 0 DEAERO CCCn1nc(C)c(C[NH+]2CCC(n3cncn3)CC2)c1C ZINC000092647593 185331247 /nfs/dbraw/zinc/33/12/47/185331247.db2.gz UIKNGVMPFZJFHL-UHFFFAOYSA-N 1 0 302.426 2.339 10 0 DEAERO [NH3+][C@H](CO)[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000167797284 197713958 /nfs/dbraw/zinc/71/39/58/197713958.db2.gz VZXZBPNJPFPPCA-RKDXNWHRSA-N 1 0 303.202 2.077 10 0 DEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(SCCCO)c(Cl)cc21 ZINC000092770834 185339524 /nfs/dbraw/zinc/33/95/24/185339524.db2.gz MWIAISWWNFAONO-LBPRGKRZSA-N 1 0 300.811 2.417 10 0 DEAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000092754886 185338317 /nfs/dbraw/zinc/33/83/17/185338317.db2.gz KTAUKNILZKFGKX-ZDUSSCGKSA-N 1 0 308.422 2.145 10 0 DEAERO C[NH2+]Cc1sccc1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833214 185344815 /nfs/dbraw/zinc/34/48/15/185344815.db2.gz ZDPMDVYOWMVBJO-UHFFFAOYSA-N 1 0 302.465 2.180 10 0 DEAERO CC(C)COc1ccc([C@@H](C)[NH2+]CCCC(=O)NC(N)=O)cc1 ZINC000181390863 199289013 /nfs/dbraw/zinc/28/90/13/199289013.db2.gz YIDISZVOEUCJIU-CYBMUJFWSA-N 1 0 321.421 2.347 10 0 DEAERO CCC[NH2+][C@](CO)(CCN(C)CC(F)F)c1ccccc1 ZINC000168518731 197724597 /nfs/dbraw/zinc/72/45/97/197724597.db2.gz UYTWRMOEKPJWLQ-INIZCTEOSA-N 1 0 300.393 2.461 10 0 DEAERO O=C(NCCOC1CC[NH2+]CC1)[C@H]1CCCc2sccc21 ZINC000168425445 197722429 /nfs/dbraw/zinc/72/24/29/197722429.db2.gz URBYBVMURACKSA-AWEZNQCLSA-N 1 0 308.447 2.053 10 0 DEAERO C[C@@]1(C(=O)Cc2ccc(OC(F)(F)F)cc2)COC[C@H]1[NH3+] ZINC000168435095 197722940 /nfs/dbraw/zinc/72/29/40/197722940.db2.gz UYWCOYLONQTHMF-DGCLKSJQSA-N 1 0 303.280 2.061 10 0 DEAERO C[C@@H]1CCN(C(=O)NC[C@H]2CCOc3ccccc32)[C@@H](C[NH3+])C1 ZINC000333575843 282960825 /nfs/dbraw/zinc/96/08/25/282960825.db2.gz MYYKOKXVMZHSNW-RBSFLKMASA-N 1 0 317.433 2.322 10 0 DEAERO COc1cc(C)ccc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000073944567 539351288 /nfs/dbraw/zinc/35/12/88/539351288.db2.gz BGJRFACLYHZMLW-UHFFFAOYSA-N 1 0 318.417 2.125 10 0 DEAERO COc1ccc(Cl)cc1C[C@H]([NH3+])C[C@H]1CCS(=O)(=O)C1 ZINC000097057959 185404602 /nfs/dbraw/zinc/40/46/02/185404602.db2.gz RYPSNCISOPQHLB-ZWNOBZJWSA-N 1 0 317.838 2.043 10 0 DEAERO C[C@@H]1C[C@@H]([N@H+](C)CCOCC(F)(F)C(F)F)CCN1C ZINC000189504012 282312115 /nfs/dbraw/zinc/31/21/15/282312115.db2.gz OOEKVSTZIXJJIW-MNOVXSKESA-N 1 0 300.340 2.318 10 0 DEAERO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCc1ccccc1O ZINC000448258235 530051740 /nfs/dbraw/zinc/05/17/40/530051740.db2.gz VLDIXEXVNFCUEE-MRXNPFEDSA-N 1 0 319.449 2.354 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193831746 282358638 /nfs/dbraw/zinc/35/86/38/282358638.db2.gz PAJHKJAEGFUWQY-NJAFHUGGSA-N 1 0 316.445 2.297 10 0 DEAERO COc1nc(Cl)nc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC000061514296 190694225 /nfs/dbraw/zinc/69/42/25/190694225.db2.gz VMUWPFNZXZKYHH-IINYFYTJSA-N 1 0 313.833 2.456 10 0 DEAERO O=C(CC1CCCC1)NC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000181696326 199339837 /nfs/dbraw/zinc/33/98/37/199339837.db2.gz VPCYFJUAPQVKQV-CYBMUJFWSA-N 1 0 322.371 2.071 10 0 DEAERO CC(=O)c1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1O ZINC000614964290 362500489 /nfs/dbraw/zinc/50/04/89/362500489.db2.gz WRZPTZUHGOPHIC-UHFFFAOYSA-N 1 0 316.401 2.153 10 0 DEAERO Cc1cc(C)n2c(C[N@@H+]3CCC[C@@H]3Cn3ccnc3)cnc2n1 ZINC000097103947 539435334 /nfs/dbraw/zinc/43/53/34/539435334.db2.gz VTDFSMPZYMXOGE-OAHLLOKOSA-N 1 0 310.405 2.207 10 0 DEAERO CC1(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[NH2+]C1 ZINC000098060351 539435922 /nfs/dbraw/zinc/43/59/22/539435922.db2.gz INLDPSXORPTYOZ-UHFFFAOYSA-N 1 0 320.723 2.258 10 0 DEAERO CS(=O)(=O)c1ccccc1NCc1ccc2c(c1)C[NH2+]C2 ZINC000097829648 539435155 /nfs/dbraw/zinc/43/51/55/539435155.db2.gz WYALWAYMARTPTI-UHFFFAOYSA-N 1 0 302.399 2.305 10 0 DEAERO COC[C@@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000615087177 362530540 /nfs/dbraw/zinc/53/05/40/362530540.db2.gz LQNOBPNIEWEXOV-TZMCWYRMSA-N 1 0 301.427 2.138 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)C)n(C)n2)[C@@H](C)C1 ZINC000245409976 282385444 /nfs/dbraw/zinc/38/54/44/282385444.db2.gz OUKLAPXKBMSXNK-DZGCQCFKSA-N 1 0 306.454 2.346 10 0 DEAERO O[C@H](C[C@@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000181726074 199344539 /nfs/dbraw/zinc/34/45/39/199344539.db2.gz LFCOZRBEPKGFKX-MJBXVCDLSA-N 1 0 303.324 2.498 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245429644 282387250 /nfs/dbraw/zinc/38/72/50/282387250.db2.gz NFHDHKBGPIMNMX-BRWVUGGUSA-N 1 0 307.482 2.336 10 0 DEAERO COc1ncc(C)cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245433595 282387971 /nfs/dbraw/zinc/38/79/71/282387971.db2.gz QFBILLIQMZHTAG-STQMWFEESA-N 1 0 306.410 2.345 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(F)ccc1Br ZINC000111270114 185569507 /nfs/dbraw/zinc/56/95/07/185569507.db2.gz GKDZAOLATFREOM-KWQFWETISA-N 1 0 315.186 2.060 10 0 DEAERO CC[NH2+][C@H](C)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000111714654 185629234 /nfs/dbraw/zinc/62/92/34/185629234.db2.gz NCZXJOTVZYNVPA-LLVKDONJSA-N 1 0 302.465 2.147 10 0 DEAERO Brc1ccc(NCCOC2CC[NH2+]CC2)nc1 ZINC000111755833 185633546 /nfs/dbraw/zinc/63/35/46/185633546.db2.gz XMXBAKXLSLODGM-UHFFFAOYSA-N 1 0 300.200 2.025 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000111793258 185637517 /nfs/dbraw/zinc/63/75/17/185637517.db2.gz AOYFGVUGLZCMGF-INIZCTEOSA-N 1 0 321.469 2.270 10 0 DEAERO O=C(CCOC1CC[NH2+]CC1)N1CCSc2ccccc21 ZINC000111802039 185638574 /nfs/dbraw/zinc/63/85/74/185638574.db2.gz LVKJJWWWLFOZAA-UHFFFAOYSA-N 1 0 306.431 2.284 10 0 DEAERO O[C@H](CN[C@@H]1CCCOc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000181987861 199371400 /nfs/dbraw/zinc/37/14/00/199371400.db2.gz AYQGSKTXQKISEQ-NVXWUHKLSA-N 1 0 322.424 2.476 10 0 DEAERO CC[NH2+]Cc1ccc(OC[C@@H](O)COC)c(C(F)(F)F)c1 ZINC000069053979 190794862 /nfs/dbraw/zinc/79/48/62/190794862.db2.gz ILXJLWUZVSEWGQ-NSHDSACASA-N 1 0 307.312 2.201 10 0 DEAERO CC(=O)[C@@H](C)CCCCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000155079883 539556985 /nfs/dbraw/zinc/55/69/85/539556985.db2.gz DBMITFBAFWUFMQ-ZDUSSCGKSA-N 1 0 308.426 2.169 10 0 DEAERO O[C@@H](C[NH2+]C1CC1)COCc1cccc(Br)c1 ZINC000123841265 185847576 /nfs/dbraw/zinc/84/75/76/185847576.db2.gz OHMJOLQUDRNHLO-ZDUSSCGKSA-N 1 0 300.196 2.079 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000263274264 282974401 /nfs/dbraw/zinc/97/44/01/282974401.db2.gz SQBHEBUKYLWXPI-GARJFASQSA-N 1 0 318.343 2.482 10 0 DEAERO CCn1cc(Br)cc1C(=O)N1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000070146052 190862929 /nfs/dbraw/zinc/86/29/29/190862929.db2.gz CVEQRMVCAHVSLU-MWLCHTKSSA-N 1 0 314.227 2.080 10 0 DEAERO CCN1C(=O)C[C@@H]([NH3+])[C@H]1c1cc(Cl)c2c(c1)OCCCO2 ZINC000070293263 190878794 /nfs/dbraw/zinc/87/87/94/190878794.db2.gz UWSUBXSESWMPFO-BXUZGUMPSA-N 1 0 310.781 2.122 10 0 DEAERO CC(C)CN1C(=O)[C@]2(CCC[NH2+]C2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000616576545 362893142 /nfs/dbraw/zinc/89/31/42/362893142.db2.gz AIDUSTWOZMXKQX-ZIFCJYIRSA-N 1 0 316.445 2.347 10 0 DEAERO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000616676517 362907474 /nfs/dbraw/zinc/90/74/74/362907474.db2.gz VCDRRPLQWRUFLA-CYBMUJFWSA-N 1 0 302.399 2.328 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](n2ccnc2)C1 ZINC000616631197 362900678 /nfs/dbraw/zinc/90/06/78/362900678.db2.gz YSLRIODBVVMFON-CQSZACIVSA-N 1 0 308.426 2.435 10 0 DEAERO CC(C)CC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000176628476 539628188 /nfs/dbraw/zinc/62/81/88/539628188.db2.gz CKFKAQCFTMEGRX-AWEZNQCLSA-N 1 0 302.484 2.169 10 0 DEAERO [NH3+][C@@H]1CCCN(c2cc(-c3nc(-c4cccnc4)no3)ccn2)C1 ZINC000070458227 190897135 /nfs/dbraw/zinc/89/71/35/190897135.db2.gz PJRGDUAWHVSRPX-CQSZACIVSA-N 1 0 322.372 2.121 10 0 DEAERO Cc1ccc(S(=O)(=O)CCCN2CCC([NH+](C)C)CC2)cc1 ZINC000180548898 539645756 /nfs/dbraw/zinc/64/57/56/539645756.db2.gz ARCJGJUDHHGLFG-UHFFFAOYSA-N 1 0 324.490 2.185 10 0 DEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000180509839 539645909 /nfs/dbraw/zinc/64/59/09/539645909.db2.gz DCDKUAMMJPMEHN-BLLLJJGKSA-N 1 0 300.406 2.068 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000181346167 539651015 /nfs/dbraw/zinc/65/10/15/539651015.db2.gz VTXSQAWVYVEJPY-MCIONIFRSA-N 1 0 308.397 2.421 10 0 DEAERO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)CC1 ZINC000181347070 539651261 /nfs/dbraw/zinc/65/12/61/539651261.db2.gz OMLQWGLJYLYHIN-LSDHHAIUSA-N 1 0 321.440 2.337 10 0 DEAERO COC[C@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000080506077 192163136 /nfs/dbraw/zinc/16/31/36/192163136.db2.gz OVXWXSFGITUTOY-HNSVSWJLSA-N 1 0 309.454 2.070 10 0 DEAERO CCC[C@H](c1nc(-c2cnccn2)cs1)N1CC[NH2+]CC1 ZINC000070477428 190901040 /nfs/dbraw/zinc/90/10/40/190901040.db2.gz GQIUASQQPZDBFR-CQSZACIVSA-N 1 0 303.435 2.347 10 0 DEAERO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183203859 539660275 /nfs/dbraw/zinc/66/02/75/539660275.db2.gz GUTMNIMSNXDERB-IPYPFGDCSA-N 1 0 306.406 2.488 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183226029 539660299 /nfs/dbraw/zinc/66/02/99/539660299.db2.gz SPIBJLYAJNUMLC-WQGACYEGSA-N 1 0 304.390 2.373 10 0 DEAERO Cn1cc(N2CC[NH+](Cc3cccc4cnccc43)CC2)cn1 ZINC000183302585 539660828 /nfs/dbraw/zinc/66/08/28/539660828.db2.gz IAQDMOKELIILGV-UHFFFAOYSA-N 1 0 307.401 2.291 10 0 DEAERO C[C@@H]([NH3+])c1ccccc1-n1cc(I)cn1 ZINC000070677887 190910890 /nfs/dbraw/zinc/91/08/90/190910890.db2.gz SNADUZCCAXHCQZ-MRVPVSSYSA-N 1 0 313.142 2.497 10 0 DEAERO Cc1ccc(NCc2cncnc2)cc1NC(=O)CC[NH+](C)C ZINC000183777061 539665270 /nfs/dbraw/zinc/66/52/70/539665270.db2.gz GJNRPONMAIDLQK-UHFFFAOYSA-N 1 0 313.405 2.287 10 0 DEAERO CC(C)(CCCn1cc(I)cn1)C(N)=[NH2+] ZINC000083643209 192376758 /nfs/dbraw/zinc/37/67/58/192376758.db2.gz IIENVFLJGWQYRW-UHFFFAOYSA-N 1 0 320.178 2.230 10 0 DEAERO COC(=O)COC[C@H]([NH3+])c1sc(C)cc1Br ZINC000083678645 192378301 /nfs/dbraw/zinc/37/83/01/192378301.db2.gz WYXRMBQPWVXGCJ-QMMMGPOBSA-N 1 0 308.197 2.008 10 0 DEAERO COC[C@H]([NH3+])Cc1nc(-c2cc(Br)cs2)no1 ZINC000071306067 190954791 /nfs/dbraw/zinc/95/47/91/190954791.db2.gz VZXJFABEJIJBCD-SSDOTTSWSA-N 1 0 318.196 2.077 10 0 DEAERO CC[NH2+][C@@H]1CCN(S(=O)(=O)N(C)C(C)C)c2ccccc21 ZINC000071325082 190957952 /nfs/dbraw/zinc/95/79/52/190957952.db2.gz JNCHOMFWKHXVBC-CQSZACIVSA-N 1 0 311.451 2.132 10 0 DEAERO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H](C)N1CCOCC1 ZINC000194840480 539719483 /nfs/dbraw/zinc/71/94/83/539719483.db2.gz XUGHOBLFNQJFQW-PBHICJAKSA-N 1 0 304.434 2.383 10 0 DEAERO COc1ccc(C(=O)Nc2nc([C@H](C)[NH3+])cs2)cc1OC ZINC000083867209 192387767 /nfs/dbraw/zinc/38/77/67/192387767.db2.gz CUQGMIRBHYRVFC-QMMMGPOBSA-N 1 0 307.375 2.432 10 0 DEAERO Cc1c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)ccn1C ZINC000195264840 539720879 /nfs/dbraw/zinc/72/08/79/539720879.db2.gz BOUXNJFJILBRAO-UHFFFAOYSA-N 1 0 303.381 2.464 10 0 DEAERO O=C1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2Cl)N1 ZINC000225283378 539730270 /nfs/dbraw/zinc/73/02/70/539730270.db2.gz IOLCTACYDZCCHZ-JTQLQIEISA-N 1 0 317.614 2.471 10 0 DEAERO C[N@@H+]1CCC[C@H](NC(=O)c2cccc(Br)c2F)C1 ZINC000234321773 539736032 /nfs/dbraw/zinc/73/60/32/539736032.db2.gz QIEWTKDFDROZJN-VIFPVBQESA-N 1 0 315.186 2.412 10 0 DEAERO [NH3+]CC[C@H](C(F)(F)F)S(=O)(=O)c1ccc(F)cc1F ZINC000084269782 192419182 /nfs/dbraw/zinc/41/91/82/192419182.db2.gz CACQZQYUQKTREM-SECBINFHSA-N 1 0 303.252 2.018 10 0 DEAERO CCOC(=O)CCN(CCC[NH+](C)C)C(=O)c1ccc(F)cc1 ZINC000071608459 190992985 /nfs/dbraw/zinc/99/29/85/190992985.db2.gz CISIMYAQAUTORB-UHFFFAOYSA-N 1 0 324.396 2.173 10 0 DEAERO OC1CC(C[NH2+]Cc2ccc(I)cc2)C1 ZINC000084448774 192431175 /nfs/dbraw/zinc/43/11/75/192431175.db2.gz IAJWYFWGHYLBTP-UHFFFAOYSA-N 1 0 317.170 2.152 10 0 DEAERO CCC(=O)N1C[C@H](C)Oc2ccc(C(=O)[C@@H]3CCC[NH2+]C3)cc21 ZINC000071676071 191004949 /nfs/dbraw/zinc/00/49/49/191004949.db2.gz WKFMOMMMAQXAQA-GXTWGEPZSA-N 1 0 316.401 2.393 10 0 DEAERO CCC(=O)N1C[C@@H](C)Oc2ccc(C(=O)[C@@H]3CCC[NH2+]C3)cc21 ZINC000071676072 191006231 /nfs/dbraw/zinc/00/62/31/191006231.db2.gz WKFMOMMMAQXAQA-TZMCWYRMSA-N 1 0 316.401 2.393 10 0 DEAERO COc1cc2c(c(OC)c1)[C@H](C[NH3+])N(Cc1nccs1)C2 ZINC000071683928 191006851 /nfs/dbraw/zinc/00/68/51/191006851.db2.gz KISZJZCOEHMVQR-LBPRGKRZSA-N 1 0 305.403 2.176 10 0 DEAERO COc1cc2c(c(OC)c1OC)[C@H](C[NH3+])N(Cc1ccco1)C2 ZINC000071684620 191008742 /nfs/dbraw/zinc/00/87/42/191008742.db2.gz OCKYULNIUKNNJT-ZDUSSCGKSA-N 1 0 318.373 2.321 10 0 DEAERO COc1cc2c(c(OC)c1)[C@@H](C[NH3+])N(CCc1nccs1)C2 ZINC000071683949 191009030 /nfs/dbraw/zinc/00/90/30/191009030.db2.gz UJCUSRZDNJYHQO-CYBMUJFWSA-N 1 0 319.430 2.218 10 0 DEAERO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@@H+](C(CO)CO)C1 ZINC000071752686 191023377 /nfs/dbraw/zinc/02/33/77/191023377.db2.gz BYOKXILOCQONRF-OAHLLOKOSA-N 1 0 313.397 2.088 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1Cc2ccccc21 ZINC000245482527 539756370 /nfs/dbraw/zinc/75/63/70/539756370.db2.gz ZJKQNRZPHCNHRM-CVEARBPZSA-N 1 0 301.434 2.452 10 0 DEAERO CCC[C@H](C(=O)NCc1ccccc1-n1ccnc1)[NH+](C)C ZINC000138492945 186017204 /nfs/dbraw/zinc/01/72/04/186017204.db2.gz NREUIOZBGBBKOS-MRXNPFEDSA-N 1 0 300.406 2.219 10 0 DEAERO O=C(CC1CC[NH2+]CC1)Nc1cccc(Br)c1O ZINC000133832182 186012864 /nfs/dbraw/zinc/01/28/64/186012864.db2.gz QEHSMCIVZNZDFI-UHFFFAOYSA-N 1 0 313.195 2.483 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c([C@@H]3CCCC[C@H]3C[NH3+])nc21 ZINC000138143097 186013951 /nfs/dbraw/zinc/01/39/51/186013951.db2.gz POHXANCPVCUWOG-WDEREUQCSA-N 1 0 307.419 2.199 10 0 DEAERO [NH3+][C@H]1C=C[C@@H](c2nc(-c3ccc(Br)cn3)no2)C1 ZINC000139801034 186024016 /nfs/dbraw/zinc/02/40/16/186024016.db2.gz LAORIQLYJMVNCE-APPZFPTMSA-N 1 0 307.151 2.265 10 0 DEAERO CC[NH2+][C@H](Cc1nccn1C)c1ncccc1Br ZINC000140495606 186026751 /nfs/dbraw/zinc/02/67/51/186026751.db2.gz UCKMYXXNEIRBSB-LLVKDONJSA-N 1 0 309.211 2.471 10 0 DEAERO CC[NH2+][C@H](Cc1cccc(OC)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000142362217 186032161 /nfs/dbraw/zinc/03/21/61/186032161.db2.gz DQXYFINFQKEHTR-LSDHHAIUSA-N 1 0 311.447 2.041 10 0 DEAERO CC[NH2+][C@@H](c1cncs1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000147684631 186041236 /nfs/dbraw/zinc/04/12/36/186041236.db2.gz FUTORUNVHWNQSQ-NTZNESFSSA-N 1 0 302.465 2.397 10 0 DEAERO Cc1ccc([C@H]2N[C@H](C)C(=O)N2CC[NH+]2CCCCC2)s1 ZINC000144039789 186034311 /nfs/dbraw/zinc/03/43/11/186034311.db2.gz OAGDDYYCMQNGJC-HIFRSBDPSA-N 1 0 307.463 2.361 10 0 DEAERO C[C@H](CN1C(=O)[C@H](C)N[C@H]1c1ccsc1)[NH+]1CCCCC1 ZINC000145683910 186037087 /nfs/dbraw/zinc/03/70/87/186037087.db2.gz SRFFKCHYOUXZGQ-VNHYZAJKSA-N 1 0 307.463 2.441 10 0 DEAERO C[NH2+][C@@H](c1sccc1Br)[C@@H]1CN(C)CCN1C ZINC000147280657 186038841 /nfs/dbraw/zinc/03/88/41/186038841.db2.gz FRNOPSWSOPRHKR-WDEREUQCSA-N 1 0 318.284 2.017 10 0 DEAERO C[C@@H](CS(=O)(=O)N[C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000149374461 186049425 /nfs/dbraw/zinc/04/94/25/186049425.db2.gz FVAQHDVQRIEQKV-DZKIICNBSA-N 1 0 310.463 2.240 10 0 DEAERO c1ccc(CN2CCCO[C@@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000248741419 539775574 /nfs/dbraw/zinc/77/55/74/539775574.db2.gz DNEOCZZVLJFULS-ROUUACIJSA-N 1 0 304.434 2.046 10 0 DEAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000248869459 539776584 /nfs/dbraw/zinc/77/65/84/539776584.db2.gz ZPWFOBHAAINUEI-SCAQPMJSSA-N 1 0 316.445 2.416 10 0 DEAERO CCC[C@](O)(C[NH3+])Cc1c(Br)c(C)nn1CC ZINC000150010664 186054063 /nfs/dbraw/zinc/05/40/63/186054063.db2.gz YHZNMQFKIFCQAW-GFCCVEGCSA-N 1 0 304.232 2.006 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000150152832 186054868 /nfs/dbraw/zinc/05/48/68/186054868.db2.gz WMGPDFVASNSXBP-FZMZJTMJSA-N 1 0 319.829 2.434 10 0 DEAERO CC[NH2+][C@H](c1cccc2cnccc21)[C@H]1CCS(=O)(=O)C1 ZINC000150170135 186055730 /nfs/dbraw/zinc/05/57/30/186055730.db2.gz OEDJMJSBVKCCJY-BBRMVZONSA-N 1 0 304.415 2.320 10 0 DEAERO [NH3+]C1(C(=O)NCc2ccccc2Cl)Cc2ccccc2C1 ZINC000150688095 186056807 /nfs/dbraw/zinc/05/68/07/186056807.db2.gz NNQXCMDCMNLAJX-UHFFFAOYSA-N 1 0 300.789 2.453 10 0 DEAERO CCC(=O)Nc1cccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c1 ZINC000155754210 186109258 /nfs/dbraw/zinc/10/92/58/186109258.db2.gz QEWUPJBTFZPGEK-BETUJISGSA-N 1 0 303.406 2.200 10 0 DEAERO C[NH2+]C[C@@H](Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000163992521 186145625 /nfs/dbraw/zinc/14/56/25/186145625.db2.gz LCUFYMOIWOUULQ-VXGBXAGGSA-N 1 0 319.829 2.292 10 0 DEAERO CCC[C@H](C(=O)NC1CCN(c2ccc(C)cn2)CC1)[NH+](C)C ZINC000164039653 186146361 /nfs/dbraw/zinc/14/63/61/186146361.db2.gz QOWRXNULIBGUMB-MRXNPFEDSA-N 1 0 318.465 2.205 10 0 DEAERO COc1cccc(C[NH2+]C[C@H](C)[S@](C)=O)c1OC(F)F ZINC000159670219 186134101 /nfs/dbraw/zinc/13/41/01/186134101.db2.gz WLTIDMRCPBQHMS-GWNMQOMSSA-N 1 0 307.362 2.153 10 0 DEAERO C[C@H]([NH2+]CCn1ccnn1)c1ccc(Br)s1 ZINC000159673169 186134814 /nfs/dbraw/zinc/13/48/14/186134814.db2.gz QMLWRWNAMKXVRX-QMMMGPOBSA-N 1 0 301.213 2.453 10 0 DEAERO C[C@H]([NH3+])[C@H]1CN(c2ncc(Cl)cc2Br)CCO1 ZINC000159683624 186135160 /nfs/dbraw/zinc/13/51/60/186135160.db2.gz VYYUTSIBEWNOSF-OIBJUYFYSA-N 1 0 320.618 2.050 10 0 DEAERO Cc1nn(C)c(C[C@@H]([NH3+])[C@H]2CCSC2)c1Br ZINC000163850469 186140670 /nfs/dbraw/zinc/14/06/70/186140670.db2.gz ALVFIAJFCVDCSD-DTWKUNHWSA-N 1 0 304.257 2.114 10 0 DEAERO C[C@@H](C(=O)Nc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000163884279 186141235 /nfs/dbraw/zinc/14/12/35/186141235.db2.gz JIRRECRQQBVLIQ-SSDOTTSWSA-N 1 0 301.159 2.382 10 0 DEAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)c2c(Br)cnn2C)C1 ZINC000164350631 186156933 /nfs/dbraw/zinc/15/69/33/186156933.db2.gz VDEXRSAEUHJUGW-UFBFGSQYSA-N 1 0 300.200 2.273 10 0 DEAERO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000164357595 186157435 /nfs/dbraw/zinc/15/74/35/186157435.db2.gz JTEAEMGZTBEEHO-NEPJUHHUSA-N 1 0 305.447 2.380 10 0 DEAERO CCCn1ncc(Br)c1C(=O)C[C@H]1CC[NH2+]C1 ZINC000164404639 186158569 /nfs/dbraw/zinc/15/85/69/186158569.db2.gz BPNXXNWBZCVXMS-SECBINFHSA-N 1 0 300.200 2.238 10 0 DEAERO Cc1ccc(C(N)=O)cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175736956 186191477 /nfs/dbraw/zinc/19/14/77/186191477.db2.gz MDXQTYYPBYRCCG-OCCSQVGLSA-N 1 0 318.421 2.040 10 0 DEAERO CC[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Oc1cccc(F)c1 ZINC000175641568 186184274 /nfs/dbraw/zinc/18/42/74/186184274.db2.gz NAZBFIWMFWWBHT-LSDHHAIUSA-N 1 0 323.412 2.329 10 0 DEAERO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181911095 186217967 /nfs/dbraw/zinc/21/79/67/186217967.db2.gz GZKNJHSIDXSXMV-KBPBESRZSA-N 1 0 315.421 2.173 10 0 DEAERO CCc1cccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1 ZINC000253396287 186304698 /nfs/dbraw/zinc/30/46/98/186304698.db2.gz NCXJTAYQSJVUIF-IPMKNSEASA-N 1 0 319.445 2.490 10 0 DEAERO O=C(NCc1cccnc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171641186 197959059 /nfs/dbraw/zinc/95/90/59/197959059.db2.gz KLUUVGWGURPGAY-INIZCTEOSA-N 1 0 302.422 2.242 10 0 DEAERO COc1cc(F)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000171894949 198003156 /nfs/dbraw/zinc/00/31/56/198003156.db2.gz ZJMPGDNNOSLDAT-LLVKDONJSA-N 1 0 323.368 2.155 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc3cccnc32)CCO1 ZINC000172046887 198030558 /nfs/dbraw/zinc/03/05/58/198030558.db2.gz WWEXBLKZGRLYBI-CQSZACIVSA-N 1 0 314.389 2.029 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCS(=O)(=O)c1ccccc1 ZINC000172081324 198036525 /nfs/dbraw/zinc/03/65/25/198036525.db2.gz DWMNQZNFMOWDNA-HZPDHXFCSA-N 1 0 322.474 2.019 10 0 DEAERO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC000172247955 198064728 /nfs/dbraw/zinc/06/47/28/198064728.db2.gz MJHITJKLYITTGK-CYBMUJFWSA-N 1 0 317.433 2.382 10 0 DEAERO Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)nc(C)n1 ZINC000284878728 539823753 /nfs/dbraw/zinc/82/37/53/539823753.db2.gz NEOMKAZQJCFEBI-WMLDXEAASA-N 1 0 314.437 2.322 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)CCO1 ZINC000172307655 198077306 /nfs/dbraw/zinc/07/73/06/198077306.db2.gz NBAHDBJYYMBFPD-HNNXBMFYSA-N 1 0 313.401 2.084 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)CC[N@@H+]1C ZINC000172620607 198126993 /nfs/dbraw/zinc/12/69/93/198126993.db2.gz MJJDQNWHASYQOS-RHSMWYFYSA-N 1 0 312.417 2.427 10 0 DEAERO CCN(C(=O)c1ncccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000617551570 363178379 /nfs/dbraw/zinc/17/83/79/363178379.db2.gz VAZSWRZRIZXSED-JTQLQIEISA-N 1 0 312.211 2.010 10 0 DEAERO Cc1ccc(-c2ccc(C(=O)NCCC[NH+](C)C)c(=O)[nH]2)cc1 ZINC000072451092 191170315 /nfs/dbraw/zinc/17/03/15/191170315.db2.gz QQRYJBICUOUVSB-UHFFFAOYSA-N 1 0 313.401 2.032 10 0 DEAERO CCN(C(=O)c1ccc(Br)cn1)[C@H]1CC[N@H+](C)C1 ZINC000617556781 363185070 /nfs/dbraw/zinc/18/50/70/363185070.db2.gz XKSHAARBYFVDGC-NSHDSACASA-N 1 0 312.211 2.010 10 0 DEAERO Cc1nc(NC(=O)[C@@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)sc1C ZINC000172804140 198152382 /nfs/dbraw/zinc/15/23/82/198152382.db2.gz NNUSNGNUEXOONP-TZMCWYRMSA-N 1 0 322.478 2.257 10 0 DEAERO CCN(C(=O)c1ccc(Br)o1)[C@H]1CC[N@H+](C)C1 ZINC000617561668 363189605 /nfs/dbraw/zinc/18/96/05/363189605.db2.gz QNUYOAAPRMOTHI-VIFPVBQESA-N 1 0 301.184 2.208 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@@H](C)COCc1ccccc1 ZINC000173263171 198202925 /nfs/dbraw/zinc/20/29/25/198202925.db2.gz YGPFMJYWNDVVRF-HNNXBMFYSA-N 1 0 307.438 2.233 10 0 DEAERO Cc1cccc(CS(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173274221 198204293 /nfs/dbraw/zinc/20/42/93/198204293.db2.gz BHWGYCJRQUISCR-ZBFHGGJFSA-N 1 0 310.463 2.239 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000173269735 198204853 /nfs/dbraw/zinc/20/48/53/198204853.db2.gz ARYZUZAKNGLRSD-WFASDCNBSA-N 1 0 314.426 2.070 10 0 DEAERO COc1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000333295922 539955298 /nfs/dbraw/zinc/95/52/98/539955298.db2.gz JVCPXLUFQQYREN-QWRGUYRKSA-N 1 0 309.797 2.422 10 0 DEAERO [NH3+]C[C@H]1CCCN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000333198943 539951041 /nfs/dbraw/zinc/95/10/41/539951041.db2.gz WZRNMVSSQBKYHQ-CYBMUJFWSA-N 1 0 323.466 2.084 10 0 DEAERO O=C(N[C@@H]1CCc2ccccc2C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333715226 539970213 /nfs/dbraw/zinc/97/02/13/539970213.db2.gz FXHRYTVTEUVORP-XMTFNYHQSA-N 1 0 313.445 2.231 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)C2CCC2)C1 ZINC000316287361 282877263 /nfs/dbraw/zinc/87/72/63/282877263.db2.gz HXDMHFAQHIKGOF-ZFWWWQNUSA-N 1 0 312.454 2.384 10 0 DEAERO Cc1cccc(CS(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000173885059 198265334 /nfs/dbraw/zinc/26/53/34/198265334.db2.gz WCMLPSAXYRMIRG-HOCLYGCPSA-N 1 0 310.463 2.143 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000174113004 198292708 /nfs/dbraw/zinc/29/27/08/198292708.db2.gz RNWFDOSZCIKUOW-OCCSQVGLSA-N 1 0 319.405 2.404 10 0 DEAERO O=C(N[C@H]1COc2ccccc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174215697 198307322 /nfs/dbraw/zinc/30/73/22/198307322.db2.gz PKZAWOGGXPFMFF-HOCLYGCPSA-N 1 0 315.417 2.247 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC)nc2)[C@H](C)C1 ZINC000174363352 198325123 /nfs/dbraw/zinc/32/51/23/198325123.db2.gz MBDSFZBOAKOONM-OCCSQVGLSA-N 1 0 306.410 2.284 10 0 DEAERO C[C@H](NC(=O)[C@H](C)[NH+]1CCC2(CC1)OCCO2)c1ccccc1 ZINC000028077603 354099085 /nfs/dbraw/zinc/09/90/85/354099085.db2.gz OKZHIMPSEOYTNR-GJZGRUSLSA-N 1 0 318.417 2.091 10 0 DEAERO COc1ccccc1[C@@H](CNC(=O)CSC)[NH+]1CCCC1 ZINC000041299205 354171145 /nfs/dbraw/zinc/17/11/45/354171145.db2.gz DNWDNFKOVDRDLJ-CQSZACIVSA-N 1 0 308.447 2.311 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000236787572 202008556 /nfs/dbraw/zinc/00/85/56/202008556.db2.gz XRPIPUGGBUXUKE-MRXNPFEDSA-N 1 0 318.417 2.292 10 0 DEAERO COc1ccccc1OCC(=O)NCCCC[NH+]1CCCC1 ZINC000044456356 354236261 /nfs/dbraw/zinc/23/62/61/354236261.db2.gz RMXGKOCNJFARNX-UHFFFAOYSA-N 1 0 306.406 2.066 10 0 DEAERO CC(C)(C)NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000053142519 354424523 /nfs/dbraw/zinc/42/45/23/354424523.db2.gz DEWGCVBABFPDGS-UHFFFAOYSA-N 1 0 321.440 2.248 10 0 DEAERO Cc1cc(C(=O)N(C)CC2C[NH+](C)C2)ccc1Br ZINC000618192660 363410019 /nfs/dbraw/zinc/41/00/19/363410019.db2.gz WERVNASBXOSYES-UHFFFAOYSA-N 1 0 311.223 2.391 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCc1ccccc1OC ZINC000074498750 355033450 /nfs/dbraw/zinc/03/34/50/355033450.db2.gz WBUUVPQIJVNNFH-MRXNPFEDSA-N 1 0 319.449 2.363 10 0 DEAERO CO[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC000074792881 355050893 /nfs/dbraw/zinc/05/08/93/355050893.db2.gz FEDWABGVGBIYMN-JALIKCBVSA-N 1 0 311.470 2.362 10 0 DEAERO CN(Cc1ccccc1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000075593582 355095039 /nfs/dbraw/zinc/09/50/39/355095039.db2.gz FSECNTLRBUEBFD-UHFFFAOYSA-N 1 0 324.428 2.106 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)CCc1cccn1C ZINC000073654649 191336365 /nfs/dbraw/zinc/33/63/65/191336365.db2.gz ZMIBQVDUJILEOT-HUUCEWRRSA-N 1 0 308.470 2.376 10 0 DEAERO CCCCc1noc([C@H](C)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000363387590 283092678 /nfs/dbraw/zinc/09/26/78/283092678.db2.gz HOZIYGBZBWHTQB-KKUMJFAQSA-N 1 0 322.453 2.004 10 0 DEAERO COc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(C)C ZINC000074934711 191389162 /nfs/dbraw/zinc/38/91/62/191389162.db2.gz OFOVTNDLDPTKCY-UHFFFAOYSA-N 1 0 314.451 2.049 10 0 DEAERO CC1CCN(C(=O)C[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)CC1 ZINC000080903342 355391294 /nfs/dbraw/zinc/39/12/94/355391294.db2.gz CSUOSHIGYPTWOI-YJBOKZPZSA-N 1 0 310.482 2.412 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000081108482 355409013 /nfs/dbraw/zinc/40/90/13/355409013.db2.gz VTABZXIZZGWPHQ-LBPRGKRZSA-N 1 0 306.410 2.131 10 0 DEAERO CN(C)c1ccnc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)n1 ZINC000091482544 355599345 /nfs/dbraw/zinc/59/93/45/355599345.db2.gz JMWLJOHSMNCVFM-OAHLLOKOSA-N 1 0 303.454 2.387 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000113266924 355758318 /nfs/dbraw/zinc/75/83/18/355758318.db2.gz ONGXDSYUVRSQCS-JTQLQIEISA-N 1 0 319.268 2.321 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)CCCc2nc(C3CC3)no2)CC[N@@H+]1C ZINC000127547156 355823028 /nfs/dbraw/zinc/82/30/28/355823028.db2.gz SULTVRNJMCPGBI-JSGCOSHPSA-N 1 0 320.437 2.211 10 0 DEAERO CC(C)CC[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)C(C)(C)C ZINC000179904244 356036415 /nfs/dbraw/zinc/03/64/15/356036415.db2.gz YSRXSVWUEYEUEW-JKSUJKDBSA-N 1 0 300.487 2.120 10 0 DEAERO CC(C)CC[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)C(C)(C)C ZINC000179904275 356037651 /nfs/dbraw/zinc/03/76/51/356037651.db2.gz YSRXSVWUEYEUEW-HZPDHXFCSA-N 1 0 300.487 2.120 10 0 DEAERO CC(C)C[C@@H](CNC(=O)[C@H](C)Oc1cccc(CO)c1)[NH+](C)C ZINC000180389780 356048901 /nfs/dbraw/zinc/04/89/01/356048901.db2.gz QRIFYCKKMUXVMZ-HOCLYGCPSA-N 1 0 322.449 2.039 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NCc1cccs1)c1ccc2c(c1)OCO2 ZINC000182287181 356119263 /nfs/dbraw/zinc/11/92/63/356119263.db2.gz OWCHQDOFHVMHLR-LLVKDONJSA-N 1 0 318.398 2.444 10 0 DEAERO Cc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000181465422 356082037 /nfs/dbraw/zinc/08/20/37/356082037.db2.gz IKFCPLQSWDBKHI-JZXOWHBKSA-N 1 0 307.434 2.218 10 0 DEAERO CC(C)c1nc2c(n1C)CCN(CCO[C@H]1CCCCO1)C2 ZINC000181694033 356090638 /nfs/dbraw/zinc/09/06/38/356090638.db2.gz LCHUJBPNPDNUFQ-INIZCTEOSA-N 1 0 307.438 2.445 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccnc2)cc1F ZINC000182000400 356104058 /nfs/dbraw/zinc/10/40/58/356104058.db2.gz FTZFMWJRWAQILH-GFCCVEGCSA-N 1 0 317.364 2.196 10 0 DEAERO CCC(C)(C)NC(=O)CN[C@H](C[S@](C)=O)c1ccccc1 ZINC000183100182 356159938 /nfs/dbraw/zinc/15/99/38/356159938.db2.gz IXWWSTYVILBPRT-SZNDQCEHSA-N 1 0 310.463 2.001 10 0 DEAERO CCC[C@@H]1CN(C(=O)c2ccncc2CC)CC[N@@H+]1CCOC ZINC000182590001 356132400 /nfs/dbraw/zinc/13/24/00/356132400.db2.gz BSWHJRQPAVMSHP-MRXNPFEDSA-N 1 0 319.449 2.217 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)COCc1ccco1)[C@@H]1COc2ccccc21 ZINC000185640038 356207887 /nfs/dbraw/zinc/20/78/87/356207887.db2.gz AMZNLOBUVUONOH-ZQIUZPCESA-N 1 0 317.385 2.311 10 0 DEAERO CN(C)c1nnc(SC[C@H](C(N)=[NH2+])c2ccccc2)s1 ZINC000080795678 192191769 /nfs/dbraw/zinc/19/17/69/192191769.db2.gz CDQHBEZGVPNPHY-JTQLQIEISA-N 1 0 307.448 2.416 10 0 DEAERO CC(C)(C)[NH+]1CCN(C[C@@H](C(N)=S)c2ccccc2)CC1 ZINC000080797102 192192286 /nfs/dbraw/zinc/19/22/86/192192286.db2.gz ZDVQLJVXWQHHGK-OAHLLOKOSA-N 1 0 305.491 2.472 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226464223 356278688 /nfs/dbraw/zinc/27/86/88/356278688.db2.gz DEKZFZFURDHXJJ-CYBMUJFWSA-N 1 0 316.854 2.411 10 0 DEAERO CC[N@H+](CCNC(=O)Nc1cccc(N(C)C(C)=O)c1)C1CC1 ZINC000081107876 192226311 /nfs/dbraw/zinc/22/63/11/192226311.db2.gz OAOUWYQFKYIIJI-UHFFFAOYSA-N 1 0 318.421 2.275 10 0 DEAERO C[C@@H]([NH2+]CCc1cn(C)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400796210 283158449 /nfs/dbraw/zinc/15/84/49/283158449.db2.gz SWMJRLLBHYGGRD-ZIAGYGMSSA-N 1 0 322.453 2.198 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400394477 283156588 /nfs/dbraw/zinc/15/65/88/283156588.db2.gz JBZZOUQNXOVYLT-KKUMJFAQSA-N 1 0 323.481 2.458 10 0 DEAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328627679 356462596 /nfs/dbraw/zinc/46/25/96/356462596.db2.gz GMCACEDVTRHXPC-AXFHLTTASA-N 1 0 303.328 2.231 10 0 DEAERO Cc1cccc(C(=O)N(Cc2cccnc2)C[C@H]2CC[NH2+]C2)n1 ZINC000328638590 356466116 /nfs/dbraw/zinc/46/61/16/356466116.db2.gz PFHILZDLMRRBIK-INIZCTEOSA-N 1 0 310.401 2.037 10 0 DEAERO CN(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3cc[nH]n3)CC2)cn1 ZINC000328654464 356466467 /nfs/dbraw/zinc/46/64/67/356466467.db2.gz XLZMTMFYXGKALT-CQSZACIVSA-N 1 0 314.437 2.337 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2occc2Br)CC1 ZINC000081733531 192318187 /nfs/dbraw/zinc/31/81/87/192318187.db2.gz YFUKCPAIBBHIRC-UHFFFAOYSA-N 1 0 301.184 2.208 10 0 DEAERO CCn1nc(C)c(Br)c1CSCC1C[NH2+]C1 ZINC000085444297 192505552 /nfs/dbraw/zinc/50/55/52/192505552.db2.gz YXTTUFZTKBVXRF-UHFFFAOYSA-N 1 0 304.257 2.427 10 0 DEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236949356 202088551 /nfs/dbraw/zinc/08/85/51/202088551.db2.gz IJGCYDSNHBSYDB-MWLCHTKSSA-N 1 0 309.797 2.156 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000236982011 202106241 /nfs/dbraw/zinc/10/62/41/202106241.db2.gz VXCYOZBWSKJFQB-SWLSCSKDSA-N 1 0 303.406 2.118 10 0 DEAERO CC[C@@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1cccs1 ZINC000236984971 202108366 /nfs/dbraw/zinc/10/83/66/202108366.db2.gz MCCYQNZYIWXNTJ-GFCCVEGCSA-N 1 0 319.434 2.145 10 0 DEAERO C[C@H](C[NH2+]C1CC1)[C@@H](C)n1cc(I)cn1 ZINC000086313189 192560896 /nfs/dbraw/zinc/56/08/96/192560896.db2.gz BCSAUEKQWWKVDG-RKDXNWHRSA-N 1 0 319.190 2.437 10 0 DEAERO CC[NH2+]CC(C)(C)Cn1cc(I)cn1 ZINC000086596023 192584973 /nfs/dbraw/zinc/58/49/73/192584973.db2.gz RNSMOAYPWWZFEE-UHFFFAOYSA-N 1 0 307.179 2.123 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)ccc1OC(F)F ZINC000386351328 356696248 /nfs/dbraw/zinc/69/62/48/356696248.db2.gz YIYSAUXIRPHTPL-JQWIXIFHSA-N 1 0 301.333 2.499 10 0 DEAERO CN(Cc1ccc([S@@](C)=O)cc1)C(=O)CCCCCC[NH3+] ZINC000237106225 202154904 /nfs/dbraw/zinc/15/49/04/202154904.db2.gz WGMQZJKLBOSISS-OAQYLSRUSA-N 1 0 310.463 2.292 10 0 DEAERO N#Cc1cc(Br)cnc1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000389039345 356706924 /nfs/dbraw/zinc/70/69/24/356706924.db2.gz FSCXJXBSPWAKIU-FZMZJTMJSA-N 1 0 321.222 2.281 10 0 DEAERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2cn(CC3CC3)nn2)C1 ZINC000428189791 356737505 /nfs/dbraw/zinc/73/75/05/356737505.db2.gz SMWXOKGNMKVLSL-RNJTYBCJSA-N 1 0 318.465 2.450 10 0 DEAERO c1ccc2c(c1)ncnc2N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000578248094 356787150 /nfs/dbraw/zinc/78/71/50/356787150.db2.gz UNSFKNUBCYLFGE-HNNXBMFYSA-N 1 0 312.417 2.321 10 0 DEAERO CCC[C@@H]1C[NH2+][C@](C)(CC)CN1CCCS(=O)(=O)CC ZINC000086982521 192606224 /nfs/dbraw/zinc/60/62/24/192606224.db2.gz GMIHCXIZDGWUQQ-HUUCEWRRSA-N 1 0 304.500 2.054 10 0 DEAERO CCN(C(=O)c1cc(C)c(Br)s1)C1C[NH2+]C1 ZINC000087018564 192611582 /nfs/dbraw/zinc/61/15/82/192611582.db2.gz PLMDZPMEGXJFDB-UHFFFAOYSA-N 1 0 303.225 2.253 10 0 DEAERO O=C(NC1CC1)[C@@H]([NH2+]CCOCC1CCC1)c1ccccc1 ZINC000580807800 357082701 /nfs/dbraw/zinc/08/27/01/357082701.db2.gz 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DUMPVKPRDJHWGM-JQAFLVLXSA-N 1 0 306.406 2.464 10 0 DEAERO CO[C@H](C)[C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000188130427 200198780 /nfs/dbraw/zinc/19/87/80/200198780.db2.gz HRZSMPHKDRILFH-NWDGAFQWSA-N 1 0 311.401 2.110 10 0 DEAERO COc1cccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)n1 ZINC000188063142 200187895 /nfs/dbraw/zinc/18/78/95/200187895.db2.gz HCRKZJBIHJFCJF-ZFWWWQNUSA-N 1 0 304.415 2.360 10 0 DEAERO CCSc1cc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000188104420 200193771 /nfs/dbraw/zinc/19/37/71/200193771.db2.gz BBNBQRUHDSZKHJ-CQSZACIVSA-N 1 0 320.462 2.183 10 0 DEAERO COCc1cccc(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000188226154 200211942 /nfs/dbraw/zinc/21/19/42/200211942.db2.gz NRRDTXAQYSLPEC-WMLDXEAASA-N 1 0 304.434 2.317 10 0 DEAERO Cc1nn(C)c(C)c1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188136583 200199162 /nfs/dbraw/zinc/19/91/62/200199162.db2.gz FXDXKBKUPMDWRD-HOCLYGCPSA-N 1 0 305.447 2.306 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 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10 0 DEAERO CCC[N@H+](Cc1cnc(C(=O)OCC)s1)CC(C)(C)O ZINC000602773765 360547500 /nfs/dbraw/zinc/54/75/00/360547500.db2.gz YPBBNLXSOYMWKD-UHFFFAOYSA-N 1 0 300.424 2.303 10 0 DEAERO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(-n2cncn2)cc1 ZINC000190669322 200572134 /nfs/dbraw/zinc/57/21/34/200572134.db2.gz PKPSBZBAOOXFBJ-ZDUSSCGKSA-N 1 0 302.378 2.071 10 0 DEAERO Brc1ccc2ncnc(N3C[C@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000603383526 360813115 /nfs/dbraw/zinc/81/31/15/360813115.db2.gz COMCJHIJLLRHHF-NXEZZACHSA-N 1 0 319.206 2.048 10 0 DEAERO O=C(Nc1ccc2nccn2c1)NC1CC[NH+](CC2CC2)CC1 ZINC000606584437 361024424 /nfs/dbraw/zinc/02/44/24/361024424.db2.gz UVYCLCCKRISIPE-UHFFFAOYSA-N 1 0 313.405 2.330 10 0 DEAERO O[C@@]1(Cn2ccnn2)CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000671493128 540978762 /nfs/dbraw/zinc/97/87/62/540978762.db2.gz VKUKKCQJPQNNAW-SFHVURJKSA-N 1 0 324.384 2.175 10 0 DEAERO CCC[N@H+](C)CC(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000608207492 361183962 /nfs/dbraw/zinc/18/39/62/361183962.db2.gz HDJNRTOVJJOFLB-MRXNPFEDSA-N 1 0 314.433 2.162 10 0 DEAERO COC(=O)CC[NH+]1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000609144614 361284054 /nfs/dbraw/zinc/28/40/54/361284054.db2.gz IWOZBRUCLIAWOX-CQSZACIVSA-N 1 0 302.418 2.465 10 0 DEAERO COc1cc(C)c(S(=O)(=O)N(C)[C@H](C)C[NH3+])cc1C(C)C ZINC000193281222 201019270 /nfs/dbraw/zinc/01/92/70/201019270.db2.gz MOSBBUVCILUDKM-GFCCVEGCSA-N 1 0 314.451 2.095 10 0 DEAERO CCc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000193659236 201097092 /nfs/dbraw/zinc/09/70/92/201097092.db2.gz ZQSNHLNFKKLBQP-CZUORRHYSA-N 1 0 302.418 2.469 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2nc3cccnc3s2)CC[N@@H+]1C ZINC000193958858 201152436 /nfs/dbraw/zinc/15/24/36/201152436.db2.gz WQSNDJRXJXVPHF-MNOVXSKESA-N 1 0 304.419 2.246 10 0 DEAERO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1nnc(C2CCC2)n1C ZINC000611928201 361706678 /nfs/dbraw/zinc/70/66/78/361706678.db2.gz RGSMPIREDIMPNQ-SUMWQHHRSA-N 1 0 320.437 2.294 10 0 DEAERO CC(=O)c1ccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)s1 ZINC000620964327 364215506 /nfs/dbraw/zinc/21/55/06/364215506.db2.gz XRPJISNLFHIIQC-ZDUSSCGKSA-N 1 0 324.446 2.134 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CCCN2CCCC2=O)c2ccccc21 ZINC000621748147 364535460 /nfs/dbraw/zinc/53/54/60/364535460.db2.gz CIGWWXDAUAMONN-INIZCTEOSA-N 1 0 315.417 2.086 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H](O)C23CCC3)c2ccccc21 ZINC000621764255 364538765 /nfs/dbraw/zinc/53/87/65/364538765.db2.gz BWYZLMOSMUGUPW-BHYGNILZSA-N 1 0 300.402 2.377 10 0 DEAERO CC[NH2+]Cc1ccn(Cc2c(Br)c(C)nn2C)c1 ZINC000091003140 192970609 /nfs/dbraw/zinc/97/06/09/192970609.db2.gz OYMKVRPSJFOPAP-UHFFFAOYSA-N 1 0 311.227 2.450 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2C)CC12COC2 ZINC000449357504 240392690 /nfs/dbraw/zinc/39/26/90/240392690.db2.gz DOEYGSXCCKORHX-OAHLLOKOSA-N 1 0 307.365 2.146 10 0 DEAERO CN(CC1CC(O)C1)[C@@H](C[NH3+])c1ccccc1Br ZINC000091451468 193058642 /nfs/dbraw/zinc/05/86/42/193058642.db2.gz OXLKWBQNFFBWIB-MGULZYLOSA-N 1 0 313.239 2.152 10 0 DEAERO CC(C)(C)NC(=O)C[C@@H](C[NH3+])N(Cc1cccs1)C1CC1 ZINC000091321319 193039992 /nfs/dbraw/zinc/03/99/92/193039992.db2.gz BWGOZWZYPSZKNL-ZDUSSCGKSA-N 1 0 309.479 2.345 10 0 DEAERO Cc1csc([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)n1 ZINC000624010843 365252342 /nfs/dbraw/zinc/25/23/42/365252342.db2.gz ZCSJZYFZFDTYDR-NSHDSACASA-N 1 0 302.465 2.317 10 0 DEAERO CCS(=O)(=O)CCn1ncc(C[NH2+]CC(C)C)c1C(F)F ZINC000091339832 193043016 /nfs/dbraw/zinc/04/30/16/193043016.db2.gz FEBWPZZCBZLPDP-UHFFFAOYSA-N 1 0 323.409 2.001 10 0 DEAERO CCS(=O)(=O)CCn1ncc(C[NH2+]C(C)(C)C)c1C(F)F ZINC000091339762 193043912 /nfs/dbraw/zinc/04/39/12/193043912.db2.gz QNXHUKDJWIFEPP-UHFFFAOYSA-N 1 0 323.409 2.144 10 0 DEAERO Cc1nc(NC(=O)C2(C)CC[NH2+]CC2)ccc1Br ZINC000091507231 193066843 /nfs/dbraw/zinc/06/68/43/193066843.db2.gz LIXFMBCMFMCARZ-UHFFFAOYSA-N 1 0 312.211 2.481 10 0 DEAERO [NH3+]C1CC(CNc2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000091525119 193068502 /nfs/dbraw/zinc/06/85/02/193068502.db2.gz XWLRONQBWWKWRO-UHFFFAOYSA-N 1 0 308.325 2.129 10 0 DEAERO CCn1c2ccc(Br)cc2nc1C[C@@](C)(O)C[NH3+] ZINC000091523984 193068550 /nfs/dbraw/zinc/06/85/50/193068550.db2.gz ARGBOIJDRVJRSR-CYBMUJFWSA-N 1 0 312.211 2.071 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)C(C)(C)N1CCCCC1 ZINC000091564698 193073311 /nfs/dbraw/zinc/07/33/11/193073311.db2.gz XJWZRWVIVHEGJB-CQSZACIVSA-N 1 0 304.500 2.054 10 0 DEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)[C@@](C)(CC)N(C)C ZINC000091571696 193074736 /nfs/dbraw/zinc/07/47/36/193074736.db2.gz VXKZPOJSVKBPMJ-LSDHHAIUSA-N 1 0 306.516 2.300 10 0 DEAERO CC[NH+](CC)C(CC)(CC)[C@H](O)CCCS(=O)(=O)CC ZINC000091615711 193079408 /nfs/dbraw/zinc/07/94/08/193079408.db2.gz SMJJHKRBUUXAOF-CQSZACIVSA-N 1 0 307.500 2.463 10 0 DEAERO C[NH2+]CC[C@@](C)(O)Cc1ccc(OC)c(Br)c1 ZINC000091466759 193060093 /nfs/dbraw/zinc/06/00/93/193060093.db2.gz QIZQLBYDBCUTQN-CYBMUJFWSA-N 1 0 302.212 2.361 10 0 DEAERO COc1ccc(Br)c(C[C@@H](O)C[NH2+]C2CC2)c1 ZINC000091467847 193060547 /nfs/dbraw/zinc/06/05/47/193060547.db2.gz DZWWQYQGYIAZBO-LLVKDONJSA-N 1 0 300.196 2.113 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H](O)C[NH2+]C(C)(C)C ZINC000091466596 193060726 /nfs/dbraw/zinc/06/07/26/193060726.db2.gz GYXKJFAJRLIWQD-JTQLQIEISA-N 1 0 318.259 2.265 10 0 DEAERO CN(CC1CC([NH3+])C1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000091473764 193061616 /nfs/dbraw/zinc/06/16/16/193061616.db2.gz QPKKZAHKNUJVRT-UHFFFAOYSA-N 1 0 322.352 2.063 10 0 DEAERO CSC1(C(N)=S)CC[NH+](CCOCC(F)(F)F)CC1 ZINC000091487996 193063177 /nfs/dbraw/zinc/06/31/77/193063177.db2.gz ODRNPXOAYDXNHQ-UHFFFAOYSA-N 1 0 316.414 2.049 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccccc1Br ZINC000624172813 365317724 /nfs/dbraw/zinc/31/77/24/365317724.db2.gz VBDPQNODYWZXBV-NWDGAFQWSA-N 1 0 313.239 2.430 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Br)cc1O ZINC000091496573 193064642 /nfs/dbraw/zinc/06/46/42/193064642.db2.gz FRHIFHODJXVQEM-GZMMTYOYSA-N 1 0 313.195 2.025 10 0 DEAERO Cc1nc(NC(=O)C[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000091507224 193066700 /nfs/dbraw/zinc/06/67/00/193066700.db2.gz KDOOKEHRBDCNHY-JTQLQIEISA-N 1 0 312.211 2.481 10 0 DEAERO c1cc(CN2CCO[C@@H](C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)ccn1 ZINC000624264219 365360451 /nfs/dbraw/zinc/36/04/51/365360451.db2.gz WEPUNBZTUJGUKK-WNRNVDISSA-N 1 0 301.434 2.061 10 0 DEAERO c1cc(CN2CCO[C@@H](C[NH2+]C(C3CC3)C3CC3)C2)ccn1 ZINC000624265090 365360614 /nfs/dbraw/zinc/36/06/14/365360614.db2.gz MWRRXOWVSCZEST-KRWDZBQOSA-N 1 0 301.434 2.061 10 0 DEAERO CCC(CC)([C@@H](CCCS(=O)(=O)CC)[NH2+]C)N1CCCC1 ZINC000091635048 193082140 /nfs/dbraw/zinc/08/21/40/193082140.db2.gz RKSNSXLORNAUAM-OAHLLOKOSA-N 1 0 318.527 2.444 10 0 DEAERO CCN(CC)C1([C@@H](CCCS(=O)(=O)CC)[NH2+]C)CCCC1 ZINC000091639408 193082448 /nfs/dbraw/zinc/08/24/48/193082448.db2.gz VFDUAELTRPCKPH-OAHLLOKOSA-N 1 0 318.527 2.444 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(F)c(Br)c1 ZINC000624235582 365344814 /nfs/dbraw/zinc/34/48/14/365344814.db2.gz MSJPVTMUIQAQRS-AQUOVQTQSA-N 1 0 318.186 2.389 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c(C)s1 ZINC000091846183 193116796 /nfs/dbraw/zinc/11/67/96/193116796.db2.gz FDMBPQBUGUHWDP-UHFFFAOYSA-N 1 0 302.465 2.255 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)sc1Cl ZINC000624405067 365411466 /nfs/dbraw/zinc/41/14/66/365411466.db2.gz BEPQPXDKEFLUEA-RKDXNWHRSA-N 1 0 308.856 2.129 10 0 DEAERO C[NH2+]C1CCC(NS(=O)(=O)c2cc(C)sc2C)CC1 ZINC000091872497 193121008 /nfs/dbraw/zinc/12/10/08/193121008.db2.gz AUHQWGXSTXTZPG-UHFFFAOYSA-N 1 0 302.465 2.174 10 0 DEAERO CC(=O)N1CC[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)c2ccccc2C1 ZINC000629543334 367242418 /nfs/dbraw/zinc/24/24/18/367242418.db2.gz YRZGSXWLWVUFJZ-OWQGQXMQSA-N 1 0 301.434 2.210 10 0 DEAERO C[NH2+]CCOCCN(C)Cc1ccc(F)cc1Br ZINC000629568928 367256938 /nfs/dbraw/zinc/25/69/38/367256938.db2.gz MUVHYONLYNBQDL-UHFFFAOYSA-N 1 0 319.218 2.256 10 0 DEAERO CCOc1ccccc1CN1CC[N@H+](CC[C@H](C)O)[C@@H](C)C1 ZINC000450907597 242385443 /nfs/dbraw/zinc/38/54/43/242385443.db2.gz KXLDGVNTXNUGIN-HOTGVXAUSA-N 1 0 306.450 2.362 10 0 DEAERO COC[C@H]([NH3+])Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000630586512 367741874 /nfs/dbraw/zinc/74/18/74/367741874.db2.gz YWZWUKJAPBQPCC-SECBINFHSA-N 1 0 301.177 2.090 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc1 ZINC000092091438 193156360 /nfs/dbraw/zinc/15/63/60/193156360.db2.gz JEMKEIGZHVPEOM-KBPBESRZSA-N 1 0 310.463 2.461 10 0 DEAERO CNC(=O)[C@H]1CCCN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000092098889 193158600 /nfs/dbraw/zinc/15/86/00/193158600.db2.gz BCMTVNDFFLTNJZ-QGZVFWFLSA-N 1 0 317.477 2.355 10 0 DEAERO Cc1oc(C[NH2+]C(C)C)cc1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092113500 193161461 /nfs/dbraw/zinc/16/14/61/193161461.db2.gz OQGCUCQFXPRFKN-RYUDHWBXSA-N 1 0 314.451 2.363 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccccc2C[NH2+]C2CC2)C[C@H]1C ZINC000092113966 193161693 /nfs/dbraw/zinc/16/16/93/193161693.db2.gz RNQRKMXLHHWKOE-BETUJISGSA-N 1 0 308.447 2.215 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@H](C)C(C)C)c(F)c1 ZINC000092115697 193163034 /nfs/dbraw/zinc/16/30/34/193163034.db2.gz COODKCQIBLFNQF-LLVKDONJSA-N 1 0 302.415 2.210 10 0 DEAERO CC[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1F ZINC000092115787 193163591 /nfs/dbraw/zinc/16/35/91/193163591.db2.gz XIIKSSFFACWJOX-NSHDSACASA-N 1 0 302.415 2.401 10 0 DEAERO Cn1nncc1CN[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000631207016 368079017 /nfs/dbraw/zinc/07/90/17/368079017.db2.gz ZSVOOGQOIPSCKR-KRWDZBQOSA-N 1 0 313.449 2.350 10 0 DEAERO c1nc2nc(N3CC[NH+]4CCC3CC4)cc(-c3ccccc3)n2n1 ZINC000631239120 368097374 /nfs/dbraw/zinc/09/73/74/368097374.db2.gz OUPUDBXGGGRENP-UHFFFAOYSA-N 1 0 320.400 2.076 10 0 DEAERO c1c(C2CCC2)nn2ccnc(NCC[N@@H+]3CCCOCC3)c12 ZINC000631238228 368097643 /nfs/dbraw/zinc/09/76/43/368097643.db2.gz YHSNCGSHZYYDBM-UHFFFAOYSA-N 1 0 315.421 2.131 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)NCc2cc(F)ccc2Br)C1 ZINC000092205793 193172977 /nfs/dbraw/zinc/17/29/77/193172977.db2.gz VQIPGQFHZNOFHX-LDYMZIIASA-N 1 0 313.170 2.108 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](C(=O)NCc2cc(Br)ccc2F)C1 ZINC000092206849 193173854 /nfs/dbraw/zinc/17/38/54/193173854.db2.gz YYBRAWOEGXPDHZ-GZMMTYOYSA-N 1 0 313.170 2.108 10 0 DEAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)[C@@H]1Cc2ccccc2S1 ZINC000092231690 193177279 /nfs/dbraw/zinc/17/72/79/193177279.db2.gz TUZICJMEMKNCQJ-LBPRGKRZSA-N 1 0 317.439 2.444 10 0 DEAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)[C@H]1Cc2ccccc2S1 ZINC000092231689 193177566 /nfs/dbraw/zinc/17/75/66/193177566.db2.gz TUZICJMEMKNCQJ-GFCCVEGCSA-N 1 0 317.439 2.444 10 0 DEAERO C[C@@H]1CN(CC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000631843108 368418793 /nfs/dbraw/zinc/41/87/93/368418793.db2.gz JJAIKUPKNFTFRQ-NXEZZACHSA-N 1 0 316.232 2.459 10 0 DEAERO CC(=O)c1ccc(NC(=O)CCN2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631832953 368410440 /nfs/dbraw/zinc/41/04/40/368410440.db2.gz QAKSEYHKVMKIOV-INIZCTEOSA-N 1 0 317.433 2.421 10 0 DEAERO CC(=O)c1ccccc1OCCN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885959 368441323 /nfs/dbraw/zinc/44/13/23/368441323.db2.gz FNGPTPTWLUPKOV-DOTOQJQBSA-N 1 0 302.418 2.342 10 0 DEAERO [NH3+][C@@H]1CCCCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000631960687 368468384 /nfs/dbraw/zinc/46/83/84/368468384.db2.gz VRJYALREHBUCDG-SNVBAGLBSA-N 1 0 320.817 2.371 10 0 DEAERO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000631979456 368478766 /nfs/dbraw/zinc/47/87/66/368478766.db2.gz SOSZKRDOBBKSJE-SECBINFHSA-N 1 0 322.883 2.458 10 0 DEAERO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)CC2CCCCC2)C1 ZINC000631979920 368478992 /nfs/dbraw/zinc/47/89/92/368478992.db2.gz YNPYJSSQJRWBKC-CQSZACIVSA-N 1 0 302.484 2.264 10 0 DEAERO CC[N@H+](CCC(=O)Nc1ccc(Cl)c(N)c1)CC(C)(C)O ZINC000092964496 193189382 /nfs/dbraw/zinc/18/93/82/193189382.db2.gz OXJQWUYCWFTXCA-UHFFFAOYSA-N 1 0 313.829 2.344 10 0 DEAERO COCC[NH2+]Cc1sc(N(C)[C@@H](C)COC)nc1C(C)C ZINC000092999849 193192299 /nfs/dbraw/zinc/19/22/99/193192299.db2.gz MCQTWSQUEQYFOG-LBPRGKRZSA-N 1 0 315.483 2.474 10 0 DEAERO CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261796717 203119435 /nfs/dbraw/zinc/11/94/35/203119435.db2.gz NWHQHUHETJMSDM-OLZOCXBDSA-N 1 0 316.323 2.170 10 0 DEAERO O=C(C[C@H]1COCC[NH2+]1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000262165248 203216145 /nfs/dbraw/zinc/21/61/45/203216145.db2.gz JNOSYACTMZZSSC-ZFWWWQNUSA-N 1 0 308.809 2.034 10 0 DEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262348045 203268733 /nfs/dbraw/zinc/26/87/33/203268733.db2.gz ICCKNHBXWNWHSE-QWRGUYRKSA-N 1 0 323.824 2.416 10 0 DEAERO CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262370110 203276450 /nfs/dbraw/zinc/27/64/50/203276450.db2.gz LVVOETISUJNBCT-LMRQPLJMSA-N 1 0 308.397 2.406 10 0 DEAERO CCS(=O)(=O)CCCC1(c2cccc(Cl)c2)C[NH2+]C1 ZINC000093196923 193214920 /nfs/dbraw/zinc/21/49/20/193214920.db2.gz GEAHTKPZBWCGKO-UHFFFAOYSA-N 1 0 301.839 2.396 10 0 DEAERO CCn1ncnc1CC1(c2cccc(Br)c2)C[NH2+]C1 ZINC000093197199 193214967 /nfs/dbraw/zinc/21/49/67/193214967.db2.gz ZRCNUDYCLVITRB-UHFFFAOYSA-N 1 0 321.222 2.144 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1O[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093220073 193218488 /nfs/dbraw/zinc/21/84/88/193218488.db2.gz ZBZWBZMRQVWDTC-VHSXEESVSA-N 1 0 302.296 2.453 10 0 DEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000093255306 193221116 /nfs/dbraw/zinc/22/11/16/193221116.db2.gz FPQMPXXELJXVER-ZDUSSCGKSA-N 1 0 310.463 2.389 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(CC)C[C@@H](C)CC)cn1C ZINC000093265728 193223201 /nfs/dbraw/zinc/22/32/01/193223201.db2.gz LPVAKWGDFVNBTM-ZDUSSCGKSA-N 1 0 315.483 2.191 10 0 DEAERO NC1=[NH+]C[C@]2(CCSC2)N1c1ccccc1Br ZINC000093382522 193240706 /nfs/dbraw/zinc/24/07/06/193240706.db2.gz WIUBKTCTSAPUGJ-LBPRGKRZSA-N 1 0 312.236 2.460 10 0 DEAERO [NH2+]=C1NC[C@H](c2cccc(Br)c2)N1C[C@@H]1CCCO1 ZINC000093377898 193240389 /nfs/dbraw/zinc/24/03/89/193240389.db2.gz NHMIHBAHQAVKNK-QWHCGFSZSA-N 1 0 324.222 2.300 10 0 DEAERO Cc1c(C[S@](C)=O)cccc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262615971 203351754 /nfs/dbraw/zinc/35/17/54/203351754.db2.gz DAHGIUDVEGSUHD-YLGBZRSBSA-N 1 0 308.447 2.330 10 0 DEAERO Nc1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000093433142 193250668 /nfs/dbraw/zinc/25/06/68/193250668.db2.gz PUJRZHGNFUKRJD-LLVKDONJSA-N 1 0 311.227 2.101 10 0 DEAERO CCS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000093470202 193256299 /nfs/dbraw/zinc/25/62/99/193256299.db2.gz PWWBVAYIYHERHA-UONOGXRCSA-N 1 0 301.452 2.035 10 0 DEAERO CC(C)CN1C(=[NH2+])NC[C@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000093375923 193241130 /nfs/dbraw/zinc/24/11/30/193241130.db2.gz IBQQVVWGGKMYFJ-LBPRGKRZSA-N 1 0 309.797 2.439 10 0 DEAERO NC1=[NH+]C[C@H]([C@H]2CCOC2)N1c1cccc(Br)c1 ZINC000093387581 193242424 /nfs/dbraw/zinc/24/24/24/193242424.db2.gz AXTCNBLVKVDRRO-JOYOIKCWSA-N 1 0 310.195 2.199 10 0 DEAERO CS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000093493726 193259721 /nfs/dbraw/zinc/25/97/21/193259721.db2.gz XDEYHIIMMSCKJP-UONOGXRCSA-N 1 0 301.452 2.035 10 0 DEAERO C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(S(N)(=O)=O)c1 ZINC000093495933 193259947 /nfs/dbraw/zinc/25/99/47/193259947.db2.gz GDKMWYPJRMVVAP-CHWSQXEVSA-N 1 0 311.451 2.057 10 0 DEAERO COC(=O)[C@]1([NH3+])CCC[C@@H]1CCN(CC(F)(F)F)C1CC1 ZINC000093589896 193271061 /nfs/dbraw/zinc/27/10/61/193271061.db2.gz QMSLZQZAVZUQLA-MFKMUULPSA-N 1 0 308.344 2.074 10 0 DEAERO CC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCn1nc(C)c(Cl)c1C ZINC000093615450 193275788 /nfs/dbraw/zinc/27/57/88/193275788.db2.gz FWIJZOFCMCJXCZ-IUODEOHRSA-N 1 0 312.845 2.177 10 0 DEAERO CCC[NH2+][C@@H](Cc1c(Br)c(C)nn1C)[C@@H](C)OC ZINC000093692249 193290849 /nfs/dbraw/zinc/29/08/49/193290849.db2.gz OVHGOXUYNVQPIL-MNOVXSKESA-N 1 0 318.259 2.437 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093696650 193291694 /nfs/dbraw/zinc/29/16/94/193291694.db2.gz ZSMIKAHOIJBQMI-GJZGRUSLSA-N 1 0 310.463 2.317 10 0 DEAERO CCCSC[C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]CC ZINC000093700441 193293840 /nfs/dbraw/zinc/29/38/40/193293840.db2.gz FVXGIOAJGRVIMY-UONOGXRCSA-N 1 0 322.540 2.169 10 0 DEAERO CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccs1 ZINC000093699812 193293892 /nfs/dbraw/zinc/29/38/92/193293892.db2.gz POYUPKWBVBHUDM-CHWSQXEVSA-N 1 0 316.492 2.460 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCCC1 ZINC000093699991 193294175 /nfs/dbraw/zinc/29/41/75/193294175.db2.gz KRZLRUYDKPOECU-ZFWWWQNUSA-N 1 0 302.484 2.216 10 0 DEAERO CCC[NH2+][C@H](CC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699943 193294205 /nfs/dbraw/zinc/29/42/05/193294205.db2.gz GAKIJATWSASANF-LSDHHAIUSA-N 1 0 304.500 2.462 10 0 DEAERO CC[NH2+][C@@H](CCC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700127 193294213 /nfs/dbraw/zinc/29/42/13/193294213.db2.gz WKFZZCHUKRCARC-CABCVRRESA-N 1 0 304.500 2.462 10 0 DEAERO Cc1ccc(F)cc1[C@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700197 193294227 /nfs/dbraw/zinc/29/42/27/193294227.db2.gz PNLHCTZGRHKSDA-SWLSCSKDSA-N 1 0 314.426 2.196 10 0 DEAERO CC(C)C[NH2+]CC(C)(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701481 193294848 /nfs/dbraw/zinc/29/48/48/193294848.db2.gz MGAUZCWPTFUFPU-AWEZNQCLSA-N 1 0 304.500 2.320 10 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/nfs/dbraw/zinc/32/96/23/193329623.db2.gz SYGNVKSAVHEMFF-CVEARBPZSA-N 1 0 311.495 2.471 10 0 DEAERO CC[NH2+][C@H]1[C@H](S(=O)(=O)C2CCOCC2)CCCC1(C)C ZINC000094281964 193356097 /nfs/dbraw/zinc/35/60/97/193356097.db2.gz WZNAAXWQCJYJEO-KGLIPLIRSA-N 1 0 303.468 2.137 10 0 DEAERO CN(CCS(C)(=O)=O)[C@]1(C[NH3+])CCC[C@H](C(C)(C)C)CC1 ZINC000094297815 193356853 /nfs/dbraw/zinc/35/68/53/193356853.db2.gz HNJMZYWNDGRABW-GOEBONIOSA-N 1 0 318.527 2.287 10 0 DEAERO CCC[NH2+][C@@H]1[C@@H](S(=O)(=O)C2CCOCC2)CCC1(C)C ZINC000094311587 193358556 /nfs/dbraw/zinc/35/85/56/193358556.db2.gz SGAJXYMLPJGJAE-UONOGXRCSA-N 1 0 303.468 2.137 10 0 DEAERO Cc1nnc(Sc2nc(C(F)(F)F)ccc2C(N)=[NH2+])o1 ZINC000094337101 193361317 /nfs/dbraw/zinc/36/13/17/193361317.db2.gz SRLRJBOQOLDRSC-UHFFFAOYSA-N 1 0 303.269 2.227 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(F)c(OCC(=O)NC(C)C)c(F)c1 ZINC000094350516 193363118 /nfs/dbraw/zinc/36/31/18/193363118.db2.gz CJQPSXAQNAAEMH-NSHDSACASA-N 1 0 300.349 2.148 10 0 DEAERO CCN(C)C(=O)COc1c(F)cc(C[NH2+]C(C)C)cc1F ZINC000094347457 193363198 /nfs/dbraw/zinc/36/31/98/193363198.db2.gz HGIXKVNQUXAFGC-UHFFFAOYSA-N 1 0 300.349 2.320 10 0 DEAERO CCNC(=O)[C@H](C)Oc1c(F)cc(C[NH2+]C(C)C)cc1F ZINC000094347340 193363242 /nfs/dbraw/zinc/36/32/42/193363242.db2.gz LBJVTIVVPGBITR-JTQLQIEISA-N 1 0 300.349 2.366 10 0 DEAERO CC[C@H](C)NC(=O)[C@H](C)Oc1c(F)cc(C[NH2+]C)cc1F ZINC000094346451 193363650 /nfs/dbraw/zinc/36/36/50/193363650.db2.gz WLGKNTHAISUGCG-UWVGGRQHSA-N 1 0 300.349 2.366 10 0 DEAERO CC[C@@]1(C(=O)Nc2cc(C)c(Br)cn2)CC[NH2+]C1 ZINC000094063538 193342626 /nfs/dbraw/zinc/34/26/26/193342626.db2.gz CWPLXOYPZLZJIZ-CYBMUJFWSA-N 1 0 312.211 2.481 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@H](Oc2c(F)cc(C[NH3+])cc2F)C1 ZINC000094634587 193385930 /nfs/dbraw/zinc/38/59/30/193385930.db2.gz DKCOEOZJIRZVCR-QWRGUYRKSA-N 1 0 319.373 2.158 10 0 DEAERO CCC[NH2+][C@H](C1CCOCC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642640 193388615 /nfs/dbraw/zinc/38/86/15/193388615.db2.gz OYJYHZAUDMDFCE-OWCLPIDISA-N 1 0 317.495 2.385 10 0 DEAERO C[NH2+][C@H](Cc1cccs1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642100 193388620 /nfs/dbraw/zinc/38/86/20/193388620.db2.gz ABMQGJQHAFIPLR-KWCYVHTRSA-N 1 0 301.477 2.482 10 0 DEAERO C[NH2+][C@H](Cc1csc(C)n1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642188 193388650 /nfs/dbraw/zinc/38/86/50/193388650.db2.gz HMGPUTZQWAKCLR-KWCYVHTRSA-N 1 0 316.492 2.185 10 0 DEAERO CCC(CC)([C@H](O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC000094641350 193388942 /nfs/dbraw/zinc/38/89/42/193388942.db2.gz TUBBPNDTHMXJJR-HZSPNIEDSA-N 1 0 305.484 2.071 10 0 DEAERO CC[NH2+][C@H](Cc1cccnc1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642120 193389018 /nfs/dbraw/zinc/38/90/18/193389018.db2.gz MTKVSZVCQFUNCO-OWCLPIDISA-N 1 0 310.463 2.206 10 0 DEAERO NC(=S)[C@@H]1CCC[N@@H+]([C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094376113 193367259 /nfs/dbraw/zinc/36/72/59/193367259.db2.gz HCRFATRYJOJHCN-CHWSQXEVSA-N 1 0 314.520 2.429 10 0 DEAERO CCOC(=O)C[N@H+](C1CC1)[C@H]1CCOC2(CCSCC2)C1 ZINC000094410619 193368498 /nfs/dbraw/zinc/36/84/98/193368498.db2.gz OJVIIOKSWMJFRH-AWEZNQCLSA-N 1 0 313.463 2.459 10 0 DEAERO CCC[NH2+]Cc1cn([C@@H]2CCOC3(CCSCC3)C2)nn1 ZINC000094419066 193368613 /nfs/dbraw/zinc/36/86/13/193368613.db2.gz DWNCXRTZLXPFKX-CQSZACIVSA-N 1 0 310.467 2.395 10 0 DEAERO CC(C)C[NH2+]Cc1cn([C@@H]2CCO[C@@]3(CCSC3)C2)nn1 ZINC000094419120 193368639 /nfs/dbraw/zinc/36/86/39/193368639.db2.gz AKJCFJCJPAVLMJ-CABCVRRESA-N 1 0 310.467 2.251 10 0 DEAERO CCC[NH2+]Cc1ncnn1[C@H]1CCOC2(CCSCC2)C1 ZINC000094412799 193368641 /nfs/dbraw/zinc/36/86/41/193368641.db2.gz OURRDTSYFDJGOB-ZDUSSCGKSA-N 1 0 310.467 2.395 10 0 DEAERO CC[C@@H](C)[C@@H]1CN(CCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094420607 193368643 /nfs/dbraw/zinc/36/86/43/193368643.db2.gz ZMMZQLBPBIYYHY-HIFRSBDPSA-N 1 0 310.463 2.056 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc(Cl)nc(Cl)n1 ZINC000094442801 193369323 /nfs/dbraw/zinc/36/93/23/193369323.db2.gz GHRGOEJCKIZXAM-DTWKUNHWSA-N 1 0 302.209 2.241 10 0 DEAERO Nc1cc(Br)cnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439028 193369373 /nfs/dbraw/zinc/36/93/73/193369373.db2.gz FPODINFQPFDUTR-LLVKDONJSA-N 1 0 311.227 2.101 10 0 DEAERO NC(=S)[C@H](C[N@@H+]1CCN2CCCC[C@@H]2C1)c1ccccc1 ZINC000094439553 193369931 /nfs/dbraw/zinc/36/99/31/193369931.db2.gz ZVSHGJSNIYPCAR-HZPDHXFCSA-N 1 0 303.475 2.226 10 0 DEAERO NC(=S)c1ccc(F)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439539 193370401 /nfs/dbraw/zinc/37/04/01/193370401.db2.gz WCRGUPIDZUTRRR-CQSZACIVSA-N 1 0 307.438 2.130 10 0 DEAERO C[C@H]1SCCC[C@]1(C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000094478702 193373104 /nfs/dbraw/zinc/37/31/04/193373104.db2.gz UBXRGRXQYZZDBZ-NVXWUHKLSA-N 1 0 305.491 2.422 10 0 DEAERO CCC[NH2+][C@H](Cc1ncnn1CCC)[C@H]1CSCCS1 ZINC000094498982 193374813 /nfs/dbraw/zinc/37/48/13/193374813.db2.gz AKNRXFOUDRSLEH-CHWSQXEVSA-N 1 0 314.524 2.447 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CN2CCN1CC2 ZINC000094510758 193375763 /nfs/dbraw/zinc/37/57/63/193375763.db2.gz CIGLTSIMPSLQMV-DLBZAZTESA-N 1 0 307.869 2.251 10 0 DEAERO C[NH2+][C@@H](c1cccc(Cl)c1Cl)[C@@H]1CN2CCN1CC2 ZINC000094509145 193375912 /nfs/dbraw/zinc/37/59/12/193375912.db2.gz HVAHYZAVLCEJFF-JSGCOSHPSA-N 1 0 300.233 2.254 10 0 DEAERO Cc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c(Br)c1 ZINC000094562718 193380313 /nfs/dbraw/zinc/38/03/13/193380313.db2.gz JCRVORNUHLLVEU-SKDRFNHKSA-N 1 0 313.195 2.202 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2CC[C@@H](C[NH3+])O2)cc1C(F)(F)F ZINC000094570932 193381855 /nfs/dbraw/zinc/38/18/55/193381855.db2.gz RFQWMPSMPMTZCI-CMPLNLGQSA-N 1 0 302.296 2.459 10 0 DEAERO C[N@@H+]1CCCN(C(=O)c2cccc(C(F)(F)F)c2N)CC1 ZINC000094598161 193383035 /nfs/dbraw/zinc/38/30/35/193383035.db2.gz SMXBKRPZQXWNQR-UHFFFAOYSA-N 1 0 301.312 2.065 10 0 DEAERO C[C@@H](CC[NH+](C)C)Nc1nc2ccc(Br)cn2n1 ZINC000094604637 193383578 /nfs/dbraw/zinc/38/35/78/193383578.db2.gz UYYKWLQSMWMIDG-VIFPVBQESA-N 1 0 312.215 2.244 10 0 DEAERO CCc1cc(C[C@@H]([NH3+])c2cncc(Br)c2)n(C)n1 ZINC000094824036 193401695 /nfs/dbraw/zinc/40/16/95/193401695.db2.gz FOQGLEOSPBJAFM-CYBMUJFWSA-N 1 0 309.211 2.383 10 0 DEAERO C[C@H](CCCO)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000094943880 193407365 /nfs/dbraw/zinc/40/73/65/193407365.db2.gz HCXJQWNZJUYYJH-ZWNOBZJWSA-N 1 0 302.212 2.233 10 0 DEAERO CC[NH2+][C@@H](C)c1cc(F)c(C)cc1Sc1n[nH]c(=O)n1C ZINC000094768529 193396564 /nfs/dbraw/zinc/39/65/64/193396564.db2.gz DWKLVMMZEMQQQL-VIFPVBQESA-N 1 0 310.398 2.378 10 0 DEAERO COc1ccccc1CC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000263838874 203593287 /nfs/dbraw/zinc/59/32/87/203593287.db2.gz IECSVOPSIVGDKD-UHFFFAOYSA-N 1 0 324.380 2.124 10 0 DEAERO COC1([C@H](C)[NH2+]CCOc2ccc(Cl)cn2)CCOCC1 ZINC000453143853 244973230 /nfs/dbraw/zinc/97/32/30/244973230.db2.gz JOIVUMJOFSVFSG-LBPRGKRZSA-N 1 0 314.813 2.288 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)C1CCCCCC1 ZINC000346494479 296162637 /nfs/dbraw/zinc/16/26/37/296162637.db2.gz QGKIOGRSADMACB-HIFRSBDPSA-N 1 0 302.484 2.359 10 0 DEAERO Cc1nnc2ccc(N3CC[C@@H](CNc4cccc(C)[nH+]4)C3)nn12 ZINC000264569636 204003174 /nfs/dbraw/zinc/00/31/74/204003174.db2.gz UIWZRRWIKFAJEE-AWEZNQCLSA-N 1 0 323.404 2.075 10 0 DEAERO C[NH+](C)C[C@H]1C[C@@H](O)CN1C(=O)c1cc(Cl)ccc1Cl ZINC000097250340 193697591 /nfs/dbraw/zinc/69/75/91/193697591.db2.gz PPWLZMVISJYRNM-GHMZBOCLSA-N 1 0 317.216 2.130 10 0 DEAERO OCCOc1ccc(C[NH2+]C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)cc1 ZINC000018068920 182092292 /nfs/dbraw/zinc/09/22/92/182092292.db2.gz SHEPEDWLQDPMDJ-CCZBSFLLSA-N 1 0 317.429 2.231 10 0 DEAERO Cn1ncc(Br)c1[C@@H]([NH3+])C(C)(C)N1CCCCC1 ZINC000160858592 197445141 /nfs/dbraw/zinc/44/51/41/197445141.db2.gz SDBKZUOWIOQHEV-GFCCVEGCSA-N 1 0 315.259 2.447 10 0 DEAERO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccc(Br)c2cccnc21 ZINC000160472482 197413789 /nfs/dbraw/zinc/41/37/89/197413789.db2.gz NANHVJZVQYOFIH-BXUZGUMPSA-N 1 0 307.191 2.422 10 0 DEAERO C[C@H](C(=O)Nc1c(Cl)cccc1Cl)N1CC[NH2+]CC1 ZINC000020269993 182201781 /nfs/dbraw/zinc/20/17/81/182201781.db2.gz BUGMDWREQWITRC-SECBINFHSA-N 1 0 302.205 2.226 10 0 DEAERO Cc1ccc(Cl)c(NC(=O)CN2CC[NH2+]CC2)c1Cl ZINC000020362622 182211710 /nfs/dbraw/zinc/21/17/10/182211710.db2.gz NHQFLVPREGHXSG-UHFFFAOYSA-N 1 0 302.205 2.146 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cc(Br)cs2)CCO1 ZINC000020475214 182221543 /nfs/dbraw/zinc/22/15/43/182221543.db2.gz QJCJXRPSFSTLKR-SCZZXKLOSA-N 1 0 305.241 2.231 10 0 DEAERO CC[C@H](C)NC(=O)COc1ccc(Br)cc1C[NH3+] ZINC000020483481 182223176 /nfs/dbraw/zinc/22/31/76/182223176.db2.gz DZKAHRWPGWORFP-VIFPVBQESA-N 1 0 315.211 2.201 10 0 DEAERO Clc1nc2ccccc2cc1C[NH2+]CCN1CCOCC1 ZINC000020968511 182256597 /nfs/dbraw/zinc/25/65/97/182256597.db2.gz CPZDSBOESDXNJX-UHFFFAOYSA-N 1 0 305.809 2.310 10 0 DEAERO C[NH2+]CCCNCc1cc(Br)cc(OC)c1OC ZINC000020968301 182257101 /nfs/dbraw/zinc/25/71/01/182257101.db2.gz NYXJHJQTJAOFCP-UHFFFAOYSA-N 1 0 317.227 2.165 10 0 DEAERO CCOc1cccc(CCNC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000454690998 246069412 /nfs/dbraw/zinc/06/94/12/246069412.db2.gz JNTUTNBCABFVMQ-GASCZTMLSA-N 1 0 319.449 2.362 10 0 DEAERO NC(=[NH2+])c1cccc(CSc2nnnn2C2CCCC2)c1 ZINC000021797540 182289919 /nfs/dbraw/zinc/28/99/19/182289919.db2.gz JEJBYGINCPWIKU-UHFFFAOYSA-N 1 0 302.407 2.365 10 0 DEAERO CCn1nc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1C1CC1 ZINC000267427685 206058376 /nfs/dbraw/zinc/05/83/76/206058376.db2.gz BJPBCXNIQUZEDZ-ZDUSSCGKSA-N 1 0 303.410 2.092 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCC2=CCCCC2)[C@@H](O)C1 ZINC000098089054 193784258 /nfs/dbraw/zinc/78/42/58/193784258.db2.gz VQBUQKSCYXURSG-CABCVRRESA-N 1 0 310.438 2.447 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)cc1F ZINC000036266778 182811225 /nfs/dbraw/zinc/81/12/25/182811225.db2.gz KXRYTXXSBCBFNA-UHFFFAOYSA-N 1 0 314.426 2.464 10 0 DEAERO CN(C)c1ccc(Br)cc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000037041917 182863922 /nfs/dbraw/zinc/86/39/22/182863922.db2.gz CIVPYBGNGUKRRK-SNVBAGLBSA-N 1 0 312.211 2.206 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CCCC[C@@H]2COC)CC1 ZINC000458448868 248314201 /nfs/dbraw/zinc/31/42/01/248314201.db2.gz DSDGHIGUHBSMEI-MRXNPFEDSA-N 1 0 311.470 2.319 10 0 DEAERO O=C(C[NH2+]C[C@H]1CCOC1)Nc1cccc(Br)c1 ZINC000038094130 182989512 /nfs/dbraw/zinc/98/95/12/182989512.db2.gz DHETZZLCIZOAPM-SNVBAGLBSA-N 1 0 313.195 2.014 10 0 DEAERO CC[NH+](CC)CCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000120021586 284623481 /nfs/dbraw/zinc/62/34/81/284623481.db2.gz PHNKGHYDXCWPMP-OAHLLOKOSA-N 1 0 305.470 2.483 10 0 DEAERO Ic1ccc(C[NH2+]C[C@@H]2CCCOC2)o1 ZINC000038044902 182978974 /nfs/dbraw/zinc/97/89/74/182978974.db2.gz ZVJFXPQMTZTCRI-VIFPVBQESA-N 1 0 321.158 2.400 10 0 DEAERO O=C1C(C[NH2+]CCc2ccccc2)=CC2=CC=C[C@@H]3CCN1[C@H]23 ZINC000039287460 183016397 /nfs/dbraw/zinc/01/63/97/183016397.db2.gz KLIANTXYBOVEAE-APWZRJJASA-N 1 0 306.409 2.472 10 0 DEAERO C[C@H]1C[N@H+](CCCC(=O)Nc2ccc(Cl)cc2N)CCO1 ZINC000040162778 183042896 /nfs/dbraw/zinc/04/28/96/183042896.db2.gz XKDJVGMMNPVNGV-NSHDSACASA-N 1 0 311.813 2.362 10 0 DEAERO CC(C)[C@@H](CNC(=O)c1cc(Br)c[nH]1)[NH+](C)C ZINC000040430614 183065775 /nfs/dbraw/zinc/06/57/75/183065775.db2.gz BIMBLUPVVQQONO-LLVKDONJSA-N 1 0 302.216 2.093 10 0 DEAERO CC(C)[C@H](CNS(=O)(=O)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000040435959 183066671 /nfs/dbraw/zinc/06/66/71/183066671.db2.gz MCIQXSDBNUFULE-HNNXBMFYSA-N 1 0 314.426 2.224 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)NCCOC)c1ccc(C)cc1 ZINC000040654355 183114469 /nfs/dbraw/zinc/11/44/69/183114469.db2.gz ZSXQGRGHIAVJOQ-INIZCTEOSA-N 1 0 307.438 2.324 10 0 DEAERO CCOC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](CC)CC ZINC000040615389 183109571 /nfs/dbraw/zinc/10/95/71/183109571.db2.gz FOUVBHKQRJVOAY-HNNXBMFYSA-N 1 0 306.406 2.057 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000040778222 183132237 /nfs/dbraw/zinc/13/22/37/183132237.db2.gz ZZYIHTRTETUCED-NSHDSACASA-N 1 0 309.797 2.073 10 0 DEAERO [NH3+]CCCCNC(=O)c1cc(Br)cn1C1CC1 ZINC000040809473 183136778 /nfs/dbraw/zinc/13/67/78/183136778.db2.gz XKFSDBRSRHCTIG-UHFFFAOYSA-N 1 0 300.200 2.054 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@@H]([NH3+])C(C)(C)C)CCC2 ZINC000040858935 183142817 /nfs/dbraw/zinc/14/28/17/183142817.db2.gz QMHNJFBQZCVEQS-LLVKDONJSA-N 1 0 310.419 2.335 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[NH2+]1)CCC2 ZINC000040858828 183143136 /nfs/dbraw/zinc/14/31/36/183143136.db2.gz JRZLDLFPZXWMKL-SNVBAGLBSA-N 1 0 308.403 2.104 10 0 DEAERO CCN(c1ccc(S(C)(=O)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748781 183129076 /nfs/dbraw/zinc/12/90/76/183129076.db2.gz SKBHFZQWCCGBOI-NNQSOWQGSA-N 1 0 308.447 2.199 10 0 DEAERO CC(C)[NH2+]CC(=O)NCc1cc(Br)ccc1F ZINC000041069551 183162299 /nfs/dbraw/zinc/16/22/99/183162299.db2.gz CLWLNEGJGZGBLI-UHFFFAOYSA-N 1 0 303.175 2.202 10 0 DEAERO COc1cccc([C@@H]([NH3+])CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000041533088 183199125 /nfs/dbraw/zinc/19/91/25/183199125.db2.gz QDAFRFQXTCCHRM-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO C[C@@H](CC(=O)NCCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000041461172 183192723 /nfs/dbraw/zinc/19/27/23/183192723.db2.gz POCZQPVZUKYBLI-ZDUSSCGKSA-N 1 0 306.406 2.019 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1O[C@H](C)C(=O)N(C)C ZINC000042411496 183265134 /nfs/dbraw/zinc/26/51/34/183265134.db2.gz PGMBKCLWHRTJHP-SECBINFHSA-N 1 0 315.211 2.024 10 0 DEAERO CC[NH2+]Cc1cccc(Br)c1OCC(=O)N(C)C ZINC000042411688 183266208 /nfs/dbraw/zinc/26/62/08/183266208.db2.gz XMAIKJSQPNECMA-UHFFFAOYSA-N 1 0 315.211 2.026 10 0 DEAERO Cc1nnc(COc2c(Br)cccc2CC[NH3+])o1 ZINC000042412718 183266294 /nfs/dbraw/zinc/26/62/94/183266294.db2.gz TZDKWXBEBTWFOO-UHFFFAOYSA-N 1 0 312.167 2.221 10 0 DEAERO COc1ccc(Br)cc1CN(C)C[C@@H](C)C(N)=[NH2+] ZINC000042459873 183272693 /nfs/dbraw/zinc/27/26/93/183272693.db2.gz ZHSSTFODHMBFRK-SECBINFHSA-N 1 0 314.227 2.462 10 0 DEAERO CC(C)[N@H+](CCCO)[C@@H](C)C(=O)Nc1ccc(Cl)cc1N ZINC000042482920 183275426 /nfs/dbraw/zinc/27/54/26/183275426.db2.gz YBVZQXDGEZWXHT-NSHDSACASA-N 1 0 313.829 2.342 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)ccc2F)C1 ZINC000042374825 183260813 /nfs/dbraw/zinc/26/08/13/183260813.db2.gz RJRKIUSAMOIPFP-SECBINFHSA-N 1 0 301.159 2.022 10 0 DEAERO CC(C)CN(CC[NH+](C)C)Cc1cc(C(N)=S)ccc1F ZINC000042766075 183306270 /nfs/dbraw/zinc/30/62/70/183306270.db2.gz YDZBAOUIMJLWCJ-UHFFFAOYSA-N 1 0 311.470 2.480 10 0 DEAERO CC(C)C[C@@H](CNC(=O)CCc1nc(C(C)(C)C)no1)[NH+](C)C ZINC000042588522 183288883 /nfs/dbraw/zinc/28/88/83/183288883.db2.gz NQXJTPVXWQXTQL-ZDUSSCGKSA-N 1 0 324.469 2.392 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1ccc(Cl)cc1 ZINC000042951447 183320687 /nfs/dbraw/zinc/32/06/87/183320687.db2.gz KGSOKZBDVHMCCP-KRTXAFLBSA-N 1 0 309.826 2.475 10 0 DEAERO CNC(=O)C1CCN([C@@H](c2cccc(Cl)c2)[C@@H](C)[NH3+])CC1 ZINC000043014565 183327387 /nfs/dbraw/zinc/32/73/87/183327387.db2.gz KUSQUUXOSHZWSK-IAQYHMDHSA-N 1 0 309.841 2.186 10 0 DEAERO Cn1cnnc1S[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043024464 183331293 /nfs/dbraw/zinc/33/12/93/183331293.db2.gz CBQOBWHNYGERLR-JTQLQIEISA-N 1 0 313.224 2.370 10 0 DEAERO CS(=O)(=O)c1ccc(O[C@H](C[NH3+])c2ccccc2F)cc1 ZINC000043048665 183332038 /nfs/dbraw/zinc/33/20/38/183332038.db2.gz AWRBEOPDDFUXNR-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1F ZINC000043050376 183332888 /nfs/dbraw/zinc/33/28/88/183332888.db2.gz OUYFZBOADJREJT-GXFFZTMASA-N 1 0 308.382 2.062 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)cc1 ZINC000042782455 183309157 /nfs/dbraw/zinc/30/91/57/183309157.db2.gz KONPPULLHPXDKF-UHFFFAOYSA-N 1 0 322.352 2.121 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCN(C(C)=O)CC1 ZINC000043251970 183346586 /nfs/dbraw/zinc/34/65/86/183346586.db2.gz TZJQRBZTEUBRAO-RISCZKNCSA-N 1 0 315.870 2.344 10 0 DEAERO CNC(=O)C1CCN([C@@H](c2ccc(Cl)s2)[C@@H](C)[NH3+])CC1 ZINC000043252803 183348113 /nfs/dbraw/zinc/34/81/13/183348113.db2.gz FQBZSZRZTBMZRO-NOZJJQNGSA-N 1 0 315.870 2.248 10 0 DEAERO CC(C)NC(=O)CN(C)[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043254104 183348345 /nfs/dbraw/zinc/34/83/45/183348345.db2.gz XXGCYRJZVQQAAJ-NOZJJQNGSA-N 1 0 303.859 2.246 10 0 DEAERO COCCN(C)[C@H](c1ccc(Br)s1)[C@@H](C)[NH3+] ZINC000043261641 183349095 /nfs/dbraw/zinc/34/90/95/183349095.db2.gz VIYYLUQYOMEKNS-KCJUWKMLSA-N 1 0 307.257 2.477 10 0 DEAERO [NH3+][C@@H](c1ccc(F)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299825 183351520 /nfs/dbraw/zinc/35/15/20/183351520.db2.gz SAZBQZCEEBDZJO-KCJUWKMLSA-N 1 0 322.199 2.023 10 0 DEAERO CCC[NH2+][C@H](c1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043301184 183352205 /nfs/dbraw/zinc/35/22/05/183352205.db2.gz ZHGNYAYVDDLMHX-HZMBPMFUSA-N 1 0 303.374 2.440 10 0 DEAERO CC[NH2+][C@H](c1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300890 183352517 /nfs/dbraw/zinc/35/25/17/183352517.db2.gz GOEBGGAWXCKOKE-DGCLKSJQSA-N 1 0 319.373 2.373 10 0 DEAERO CC[C@H]([NH3+])[C@H](Oc1cccc(S(C)(=O)=O)c1)C(F)(F)F ZINC000043385222 183358061 /nfs/dbraw/zinc/35/80/61/183358061.db2.gz DAHNVFGACRWVEC-QWRGUYRKSA-N 1 0 311.325 2.137 10 0 DEAERO O=C(c1ccc(F)c(C(F)(F)F)c1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000043566374 183371608 /nfs/dbraw/zinc/37/16/08/183371608.db2.gz XUDHGUSKFQPQDV-JOYOIKCWSA-N 1 0 302.271 2.278 10 0 DEAERO O=C(Nc1ccc(C(F)(F)F)cc1Cl)[C@H]1C[NH2+]CCO1 ZINC000043708828 183382963 /nfs/dbraw/zinc/38/29/63/183382963.db2.gz LOQGEEIPGCBZCM-SNVBAGLBSA-N 1 0 308.687 2.286 10 0 DEAERO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CCC(N)=S)CC(C)C ZINC000043418464 183360561 /nfs/dbraw/zinc/36/05/61/183360561.db2.gz MXJNLCRCPGXSKP-CHWSQXEVSA-N 1 0 301.500 2.314 10 0 DEAERO C[NH2+][C@H](CN(C)CC(F)(F)F)c1cc(OC)ccc1OC ZINC000043900629 183389326 /nfs/dbraw/zinc/38/93/26/183389326.db2.gz IPUSGJOUCOMIKY-GFCCVEGCSA-N 1 0 306.328 2.458 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1OCCOC(C)C)OCCO2 ZINC000044064604 183393236 /nfs/dbraw/zinc/39/32/36/183393236.db2.gz FJEVCALKLLXZHV-GJZGRUSLSA-N 1 0 301.427 2.092 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)c2nnc(Cl)s2)CC1 ZINC000159789806 197364627 /nfs/dbraw/zinc/36/46/27/197364627.db2.gz QOCRLXITDCNTCH-UHFFFAOYSA-N 1 0 302.831 2.186 10 0 DEAERO COc1ccc(CN2C[C@H](F)C[C@H]2C(N)=O)c2ccccc12 ZINC000284714495 218144838 /nfs/dbraw/zinc/14/48/38/218144838.db2.gz RWNUCBGKYWJNGG-DOMZBBRYSA-N 1 0 302.349 2.246 10 0 DEAERO COc1ccc2c(c1)CCN2C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000105265490 194089689 /nfs/dbraw/zinc/08/96/89/194089689.db2.gz JELARCLCWQIZIF-LBPRGKRZSA-N 1 0 303.406 2.250 10 0 DEAERO Cc1csc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000105237705 194087470 /nfs/dbraw/zinc/08/74/70/194087470.db2.gz KDAUVJDVFDPXRQ-QWHCGFSZSA-N 1 0 308.451 2.392 10 0 DEAERO CC1(C)Cc2cc(CNC[C@H](O)C[NH+]3CCCCC3)ccc2O1 ZINC000105422599 194102845 /nfs/dbraw/zinc/10/28/45/194102845.db2.gz HZJQPPYOVNNTJR-KRWDZBQOSA-N 1 0 318.461 2.337 10 0 DEAERO CC[C@H](c1ccccc1)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000105817417 194136075 /nfs/dbraw/zinc/13/60/75/194136075.db2.gz BAHHISKJDXACKQ-MRXNPFEDSA-N 1 0 322.416 2.398 10 0 DEAERO COc1ccc(CC[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000105799010 194131876 /nfs/dbraw/zinc/13/18/76/194131876.db2.gz SIVHSZDLAUTOQZ-UHFFFAOYSA-N 1 0 312.417 2.240 10 0 DEAERO COCCN1CC[N@H+](CCCOCCc2ccccc2)C[C@@H]1C ZINC000105833843 194142198 /nfs/dbraw/zinc/14/21/98/194142198.db2.gz PRFRFTGTBOTERG-SFHVURJKSA-N 1 0 320.477 2.288 10 0 DEAERO CC(C)(C)OCC[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105867652 194150735 /nfs/dbraw/zinc/15/07/35/194150735.db2.gz YBTLNDHTGGAQTL-UHFFFAOYSA-N 1 0 322.453 2.270 10 0 DEAERO Cc1cnn([C@H]2CCC[N@H+](CCn3c(C)csc3=O)C2)c1 ZINC000105900464 194163844 /nfs/dbraw/zinc/16/38/44/194163844.db2.gz QLQBLPXAEPCITB-AWEZNQCLSA-N 1 0 306.435 2.060 10 0 DEAERO CC[C@H]1CN(Cc2nc3ccccc3n2C)CC[N@@H+]1CCOC ZINC000106113263 194187084 /nfs/dbraw/zinc/18/70/84/194187084.db2.gz LGSKAMZCTCFHFH-HNNXBMFYSA-N 1 0 316.449 2.116 10 0 DEAERO Cc1cc(CN(C)C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)no1 ZINC000106430822 194212897 /nfs/dbraw/zinc/21/28/97/194212897.db2.gz IXOGXANLDDUUEA-MRXNPFEDSA-N 1 0 301.390 2.114 10 0 DEAERO CC(C)CN(CC(C)C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000048737938 183683456 /nfs/dbraw/zinc/68/34/56/183683456.db2.gz PSLYUHSUWXSBGW-HNNXBMFYSA-N 1 0 304.500 2.462 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)Nc1ccc(F)c(F)c1F ZINC000049640862 183750829 /nfs/dbraw/zinc/75/08/29/183750829.db2.gz QZSWAGMAGPFLNC-UHFFFAOYSA-N 1 0 310.341 2.234 10 0 DEAERO CCN(C1(C[NH3+])CCCC1)S(=O)(=O)CC1CCCCC1 ZINC000050093190 183772584 /nfs/dbraw/zinc/77/25/84/183772584.db2.gz WYBBSGHYCZSSLK-UHFFFAOYSA-N 1 0 302.484 2.490 10 0 DEAERO CCN(C1(C[NH3+])CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000050092738 183772444 /nfs/dbraw/zinc/77/24/44/183772444.db2.gz XQKDUIYQSUKRRQ-UHFFFAOYSA-N 1 0 314.426 2.498 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000050092716 183772483 /nfs/dbraw/zinc/77/24/83/183772483.db2.gz RNLSYMLMYJFXIC-UHFFFAOYSA-N 1 0 314.426 2.416 10 0 DEAERO CCNc1cc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc(Cl)n1 ZINC000050779749 183803931 /nfs/dbraw/zinc/80/39/31/183803931.db2.gz MYQHEZYYPUNEGM-GFCCVEGCSA-N 1 0 312.845 2.483 10 0 DEAERO CCC[C@H](C(N)=S)[NH+]1CCN(c2nc(CC)cs2)CC1 ZINC000109471764 194267445 /nfs/dbraw/zinc/26/74/45/194267445.db2.gz BITIPHUBHCDDQI-GFCCVEGCSA-N 1 0 312.508 2.282 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000051359242 183824727 /nfs/dbraw/zinc/82/47/27/183824727.db2.gz RYALDJDGISBTNI-STQMWFEESA-N 1 0 314.476 2.216 10 0 DEAERO Cc1cc(C)c(C(N)=S)c(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000110278524 194319574 /nfs/dbraw/zinc/31/95/74/194319574.db2.gz NEPCCRFLHQHLDA-ZDUSSCGKSA-N 1 0 304.463 2.007 10 0 DEAERO C[NH2+][C@H]1CCCN(CC(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000053204051 183892477 /nfs/dbraw/zinc/89/24/77/183892477.db2.gz IZKAYXVXRHOUPG-UONOGXRCSA-N 1 0 307.463 2.095 10 0 DEAERO c1csc(CC[NH2+]CCN2CCN(c3nccs3)CC2)c1 ZINC000053345463 183899445 /nfs/dbraw/zinc/89/94/45/183899445.db2.gz OROFUHHDFTYEDG-UHFFFAOYSA-N 1 0 322.503 2.159 10 0 DEAERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000110928429 194370339 /nfs/dbraw/zinc/37/03/39/194370339.db2.gz JAAQVUKUXQBPPK-JTQLQIEISA-N 1 0 323.245 2.366 10 0 DEAERO C[NH2+]CCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000111042602 194386531 /nfs/dbraw/zinc/38/65/31/194386531.db2.gz GPXXWJLPCNQXRL-UHFFFAOYSA-N 1 0 316.732 2.320 10 0 DEAERO Cc1ccccc1OCc1nc2c(c(N3CC[NH2+]CC3)n1)CCC2 ZINC000057328728 184033319 /nfs/dbraw/zinc/03/33/19/184033319.db2.gz SHEMVGWQGLSUGF-UHFFFAOYSA-N 1 0 324.428 2.262 10 0 DEAERO c1ccc(OCCC[NH2+]Cc2ccc3c(c2)OCCO3)nc1 ZINC000057353386 184035470 /nfs/dbraw/zinc/03/54/70/184035470.db2.gz PRJWJCQPKWRFTF-UHFFFAOYSA-N 1 0 300.358 2.412 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000061230528 184166689 /nfs/dbraw/zinc/16/66/89/184166689.db2.gz DHIYWAIVSXLSTE-JTQLQIEISA-N 1 0 311.813 2.226 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000061265847 184167231 /nfs/dbraw/zinc/16/72/31/184167231.db2.gz SABROQICOLXAPR-IUODEOHRSA-N 1 0 310.825 2.486 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1nnc2ccccn21)c1cnn(C)c1 ZINC000061405858 184170069 /nfs/dbraw/zinc/17/00/69/184170069.db2.gz GYJPLBHEGYLNDQ-YPMHNXCESA-N 1 0 302.407 2.034 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C(C)C)c1ccccn1 ZINC000061595248 184176424 /nfs/dbraw/zinc/17/64/24/184176424.db2.gz LUGGPUVSMIGTQX-ZYHUDNBSSA-N 1 0 307.423 2.118 10 0 DEAERO NC(=[NH2+])C[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1 ZINC000061595710 184176598 /nfs/dbraw/zinc/17/65/98/184176598.db2.gz AFQDNNYQEQODGN-LLVKDONJSA-N 1 0 303.391 2.066 10 0 DEAERO COc1cccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1OC ZINC000061605941 184177576 /nfs/dbraw/zinc/17/75/76/184177576.db2.gz UQIFMBWTTLEMCJ-UHFFFAOYSA-N 1 0 304.390 2.014 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cn2)C1 ZINC000061874296 184191235 /nfs/dbraw/zinc/19/12/35/184191235.db2.gz GTCUCXIMHJGHOB-LLVKDONJSA-N 1 0 312.211 2.058 10 0 DEAERO COC(=O)c1sc(N2CCC[C@H]2C[NH+](C)C)nc1Cl ZINC000061654768 184181310 /nfs/dbraw/zinc/18/13/10/184181310.db2.gz QKFVHXBZHFDOGD-QMMMGPOBSA-N 1 0 303.815 2.114 10 0 DEAERO CCC[NH2+]Cc1cc(Cl)c(O[C@H](CC)C(N)=O)c(OC)c1 ZINC000061675679 184181858 /nfs/dbraw/zinc/18/18/58/184181858.db2.gz MLGPBIVPEPRPCJ-GFCCVEGCSA-N 1 0 314.813 2.491 10 0 DEAERO CC[C@H](Oc1c(Cl)cc(C[NH2+]C(C)C)cc1OC)C(N)=O ZINC000061675680 184181944 /nfs/dbraw/zinc/18/19/44/184181944.db2.gz YGRAYKAKASYCJW-LBPRGKRZSA-N 1 0 314.813 2.489 10 0 DEAERO O=C(NCCCc1ccccc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061794536 184187886 /nfs/dbraw/zinc/18/78/86/184187886.db2.gz LTJKMWZLXDUSII-UHFFFAOYSA-N 1 0 301.434 2.499 10 0 DEAERO C[C@H](CC(N)=O)C[C@@H]([NH3+])c1cc2c(cc1Cl)OCCCO2 ZINC000061830313 184188788 /nfs/dbraw/zinc/18/87/88/184188788.db2.gz LXGLRGVYGQQIFM-JOYOIKCWSA-N 1 0 312.797 2.403 10 0 DEAERO COC(=O)C[C@H](C)C[C@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000061830460 184188850 /nfs/dbraw/zinc/18/88/50/184188850.db2.gz AGRBEGDLUWCCPI-PELKAZGASA-N 1 0 310.781 2.424 10 0 DEAERO C[C@H]1CN(c2nc3sccn3c2C[NH2+]C2CC2)CCCO1 ZINC000061920140 184195597 /nfs/dbraw/zinc/19/55/97/184195597.db2.gz KPUGZUDTGCUCHX-NSHDSACASA-N 1 0 306.435 2.263 10 0 DEAERO CC(C)[C@H]1CC[C@H]([NH3+])[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061941008 184197330 /nfs/dbraw/zinc/19/73/30/184197330.db2.gz XIJJTXGASOMTCZ-MELADBBJSA-N 1 0 307.404 2.318 10 0 DEAERO C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000062010837 184200975 /nfs/dbraw/zinc/20/09/75/184200975.db2.gz OKPXWWACXRMZGD-SMDDNHRTSA-N 1 0 316.854 2.415 10 0 DEAERO CCC[C@H]([NH3+])CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000158384805 197266875 /nfs/dbraw/zinc/26/68/75/197266875.db2.gz PXCMLIZYWMMRQU-JTQLQIEISA-N 1 0 310.341 2.111 10 0 DEAERO CN(Cc1nccn1C)c1nc2c(s1)[C@H]([NH3+])CC(C)(C)C2 ZINC000062327854 184231148 /nfs/dbraw/zinc/23/11/48/184231148.db2.gz UFFGMAAFKKNXRB-SNVBAGLBSA-N 1 0 305.451 2.485 10 0 DEAERO COC(=O)[C@@H](C)Oc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000062704519 184248644 /nfs/dbraw/zinc/24/86/44/184248644.db2.gz DRLWYOQLFVGHQE-DTWKUNHWSA-N 1 0 316.195 2.279 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCC3(CCCC3)CC2)cc1 ZINC000062955468 184262222 /nfs/dbraw/zinc/26/22/22/184262222.db2.gz MYGVCMLMWFIIIZ-UHFFFAOYSA-N 1 0 308.447 2.490 10 0 DEAERO CCCN(CCO)c1nc2sccn2c1C[NH2+]C(C)(C)C ZINC000062736935 184251004 /nfs/dbraw/zinc/25/10/04/184251004.db2.gz VJYITUAAXHDLPE-UHFFFAOYSA-N 1 0 310.467 2.493 10 0 DEAERO COCC[NH2+]Cc1c(N(C)[C@H](C)C2CC2)nc2sccn12 ZINC000062735990 184251041 /nfs/dbraw/zinc/25/10/41/184251041.db2.gz BOTYVCCQCZMLJH-LLVKDONJSA-N 1 0 308.451 2.367 10 0 DEAERO COc1cc(C[NH2+]C(C)(C)C)ccc1OCCS(C)(=O)=O ZINC000062731767 184251239 /nfs/dbraw/zinc/25/12/39/184251239.db2.gz LUIRFLAMRLJIMM-UHFFFAOYSA-N 1 0 315.435 2.007 10 0 DEAERO CCO[C@@H](C[NH3+])CN(C)Cc1ccc(Br)cc1 ZINC000062739656 184252012 /nfs/dbraw/zinc/25/20/12/184252012.db2.gz SKNDMEJYJDEEFS-ZDUSSCGKSA-N 1 0 301.228 2.245 10 0 DEAERO C[C@@H](c1nc(-c2ccc(F)c(Cl)c2)no1)N1CC[NH2+]CC1 ZINC000062790822 184253146 /nfs/dbraw/zinc/25/31/46/184253146.db2.gz NQMJPIHPOGMIPJ-VIFPVBQESA-N 1 0 310.760 2.495 10 0 DEAERO CC[C@H]([NH3+])[C@](O)(c1ccc2c(c1)OCCCO2)C(F)(F)F ZINC000062784475 184253166 /nfs/dbraw/zinc/25/31/66/184253166.db2.gz FPOBLFNXAMOTAH-QWHCGFSZSA-N 1 0 305.296 2.335 10 0 DEAERO C[NH+]1CCC(OC(=O)c2cccc(Br)c2N)CC1 ZINC000062827001 184254684 /nfs/dbraw/zinc/25/46/84/184254684.db2.gz FNINXNWCBXLUKG-UHFFFAOYSA-N 1 0 313.195 2.282 10 0 DEAERO COC(=O)c1cc(Cl)ccc1NC(=O)C1(C)CC[NH2+]CC1 ZINC000062840042 184255681 /nfs/dbraw/zinc/25/56/81/184255681.db2.gz JAQHWXZCQSSWAS-UHFFFAOYSA-N 1 0 310.781 2.455 10 0 DEAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062854867 184256623 /nfs/dbraw/zinc/25/66/23/184256623.db2.gz FSELFURSDCHFKR-OAHLLOKOSA-N 1 0 310.781 2.455 10 0 DEAERO C[C@]1(C(=O)Nc2cccc(Cl)c2-n2cccn2)CC[NH2+]C1 ZINC000062894149 184259003 /nfs/dbraw/zinc/25/90/03/184259003.db2.gz RTMGBUOXLLMOGR-HNNXBMFYSA-N 1 0 304.781 2.464 10 0 DEAERO CC(C)[NH2+]Cc1ccc(O[C@H](C)C(N)=O)c(Br)c1 ZINC000062701996 184248311 /nfs/dbraw/zinc/24/83/11/184248311.db2.gz BBGZMXLQKNTLFZ-SECBINFHSA-N 1 0 315.211 2.200 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1 ZINC000063213134 184278271 /nfs/dbraw/zinc/27/82/71/184278271.db2.gz AEOZBSQHZQSLHR-STQMWFEESA-N 1 0 302.827 2.278 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000063213335 184278428 /nfs/dbraw/zinc/27/84/28/184278428.db2.gz SLFPQXLHEASMNM-VXGBXAGGSA-N 1 0 320.817 2.417 10 0 DEAERO CCNS(=O)(=O)c1ccc(N[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000063214799 184278754 /nfs/dbraw/zinc/27/87/54/184278754.db2.gz WWFQUYLILMRORI-HUUCEWRRSA-N 1 0 311.451 2.057 10 0 DEAERO C[NH+](C)[C@@H]1CCN(CC(=O)c2cccc(Br)c2)C1 ZINC000062966612 184263145 /nfs/dbraw/zinc/26/31/45/184263145.db2.gz GHTAPRDZSFCUGA-CYBMUJFWSA-N 1 0 311.223 2.268 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)Cc1ccc(OC)cc1 ZINC000063017080 184267023 /nfs/dbraw/zinc/26/70/23/184267023.db2.gz GPJVLONHQHHQFY-HNNXBMFYSA-N 1 0 313.463 2.431 10 0 DEAERO Cn1ncc2c1nc(CSc1ccccc1F)[nH+]c2NN ZINC000063084335 184269705 /nfs/dbraw/zinc/26/97/05/184269705.db2.gz DVWIXIJOYZFSEU-UHFFFAOYSA-N 1 0 304.354 2.080 10 0 DEAERO Cc1ccc(SCc2nc3c(cnn3C)c(NN)[nH+]2)cc1 ZINC000063084334 184269765 /nfs/dbraw/zinc/26/97/65/184269765.db2.gz GTOUVSLEYJLRGY-UHFFFAOYSA-N 1 0 300.391 2.250 10 0 DEAERO CC1CCC(CNS(=O)(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC000063147577 184273848 /nfs/dbraw/zinc/27/38/48/184273848.db2.gz CTHYWVSDNXMUEP-UHFFFAOYSA-N 1 0 310.463 2.292 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N[C@H]1CCC[C@H]1[NH3+] ZINC000063172549 184276055 /nfs/dbraw/zinc/27/60/55/184276055.db2.gz NUKMFNMBXBEERP-MNOVXSKESA-N 1 0 314.227 2.270 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000063175790 184276582 /nfs/dbraw/zinc/27/65/82/184276582.db2.gz KRUMIAREPSYOSA-BDAKNGLRSA-N 1 0 309.218 2.152 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Br)c[nH]1 ZINC000063192930 184277251 /nfs/dbraw/zinc/27/72/51/184277251.db2.gz CKZOKGPUPIVXIK-GZMMTYOYSA-N 1 0 300.200 2.119 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Br)c[nH]1 ZINC000063192931 184277278 /nfs/dbraw/zinc/27/72/78/184277278.db2.gz CKZOKGPUPIVXIK-LDYMZIIASA-N 1 0 300.200 2.119 10 0 DEAERO Cc1n[nH]cc1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000063783742 184288607 /nfs/dbraw/zinc/28/86/07/184288607.db2.gz UFTRCOBDADGCGL-UHFFFAOYSA-N 1 0 304.419 2.128 10 0 DEAERO COC[C@H](C)C[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000189806694 335045190 /nfs/dbraw/zinc/04/51/90/335045190.db2.gz YPAVGNRSAOIGLB-CQSZACIVSA-N 1 0 324.852 2.309 10 0 DEAERO CC[C@H](C)N(CC)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159067216 197323207 /nfs/dbraw/zinc/32/32/07/197323207.db2.gz XPJDHUXPCSNMKY-NSHDSACASA-N 1 0 302.415 2.402 10 0 DEAERO CC/C(=C\C(=O)NC[C@H]1CN(C)CCO1)c1ccc(C)cc1 ZINC000172883168 207358977 /nfs/dbraw/zinc/35/89/77/207358977.db2.gz YIZYNDLCRBENPF-JMPLCFMRSA-N 1 0 302.418 2.235 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC2(C)COC2)C1 ZINC000114028825 194626526 /nfs/dbraw/zinc/62/65/26/194626526.db2.gz CUDPACILLSHZPE-CVEARBPZSA-N 1 0 323.481 2.319 10 0 DEAERO CN(C(=O)C[C@H]1CCOc2ccccc21)C1CC[NH+](C)CC1 ZINC000117741666 194844597 /nfs/dbraw/zinc/84/45/97/194844597.db2.gz RBDDSBWHSQKUQA-CQSZACIVSA-N 1 0 302.418 2.495 10 0 DEAERO COC[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000537675506 285010975 /nfs/dbraw/zinc/01/09/75/285010975.db2.gz NIVAZAUEZWRFFY-DOTOQJQBSA-N 1 0 319.449 2.404 10 0 DEAERO O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000192649781 285035717 /nfs/dbraw/zinc/03/57/17/285035717.db2.gz YWRKJISUQQUOHT-INIZCTEOSA-N 1 0 312.479 2.234 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cnccn1 ZINC000119964874 195070810 /nfs/dbraw/zinc/07/08/10/195070810.db2.gz LXYUWPINRHLQRI-VXGBXAGGSA-N 1 0 303.797 2.455 10 0 DEAERO Cc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)cc1Br ZINC000119917254 195061686 /nfs/dbraw/zinc/06/16/86/195061686.db2.gz YCHOIIOYMBMUSK-ZDUSSCGKSA-N 1 0 313.239 2.178 10 0 DEAERO COC[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000120123903 195099905 /nfs/dbraw/zinc/09/99/05/195099905.db2.gz NIVDRVNXYSMYNO-HZPDHXFCSA-N 1 0 309.454 2.071 10 0 DEAERO CC[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCCC1 ZINC000085785128 285083180 /nfs/dbraw/zinc/08/31/80/285083180.db2.gz WPGOFUOFZHMKHK-CQSZACIVSA-N 1 0 302.484 2.313 10 0 DEAERO COCCOCCCCNc1[nH+]c(C)cc(C)c1C(N)=S ZINC000159311593 197343762 /nfs/dbraw/zinc/34/37/62/197343762.db2.gz SEARWSMZPWZVPD-UHFFFAOYSA-N 1 0 311.451 2.188 10 0 DEAERO C[N@H+](CCNC(=O)N1CCC(c2cc[nH]n2)CC1)C1CCCC1 ZINC000159188725 197333859 /nfs/dbraw/zinc/33/38/59/197333859.db2.gz MQQGEQKDXOSZKK-UHFFFAOYSA-N 1 0 319.453 2.173 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N(C)[C@H](C)C2CC2)cc(C)c1F ZINC000159070982 197325036 /nfs/dbraw/zinc/32/50/36/197325036.db2.gz IPGCPAJRPYNMSZ-LLVKDONJSA-N 1 0 314.426 2.273 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)Cc2ccco2)cc(C[NH3+])c1F ZINC000159069051 197324278 /nfs/dbraw/zinc/32/42/78/197324278.db2.gz KUDVOVCKXVQDTD-UHFFFAOYSA-N 1 0 312.366 2.007 10 0 DEAERO CCC[NH2+][C@H](C[S@@](=O)c1ccc(F)c(F)c1)[C@@H]1CCOC1 ZINC000159048716 197321927 /nfs/dbraw/zinc/32/19/27/197321927.db2.gz JFRQCOOJKIIFLE-OGXQQIFESA-N 1 0 317.401 2.477 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C)cc(C[NH3+])c1F ZINC000159050532 197321619 /nfs/dbraw/zinc/32/16/19/197321619.db2.gz BOUSBXYFFXKBRJ-NSHDSACASA-N 1 0 300.399 2.156 10 0 DEAERO C[C@@]1(CNC(=O)c2coc(Br)c2)CCC[NH2+]C1 ZINC000272975707 210356161 /nfs/dbraw/zinc/35/61/61/210356161.db2.gz IHVGTHKIKSYAGK-GFCCVEGCSA-N 1 0 301.184 2.162 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000540516511 285119479 /nfs/dbraw/zinc/11/94/79/285119479.db2.gz DDIZMXASHDXGIW-UHFFFAOYSA-N 1 0 319.327 2.046 10 0 DEAERO COc1ccccc1C[C@H]([NH3+])c1c(Br)cnn1C ZINC000158865023 197307720 /nfs/dbraw/zinc/30/77/20/197307720.db2.gz BCEHRDVAFIYISH-NSHDSACASA-N 1 0 310.195 2.434 10 0 DEAERO CCc1ccc(C[NH3+])cc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000158752901 197298906 /nfs/dbraw/zinc/29/89/06/197298906.db2.gz CIGOMCGMIUKRCV-GASCZTMLSA-N 1 0 308.447 2.128 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)c1ccc(C(C)C)cc1)[C@H]1CCOC1 ZINC000158714259 197296321 /nfs/dbraw/zinc/29/63/21/197296321.db2.gz DZPAAJDTTDVNRZ-HOCLYGCPSA-N 1 0 311.447 2.208 10 0 DEAERO [NH3+]Cc1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1 ZINC000158348398 197264158 /nfs/dbraw/zinc/26/41/58/197264158.db2.gz RVSVRHILGGYQRE-UHFFFAOYSA-N 1 0 303.284 2.028 10 0 DEAERO CC(C)(C)[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)c1ccc(F)cc1 ZINC000157829355 197218895 /nfs/dbraw/zinc/21/88/95/197218895.db2.gz PFEQOABGKSXIAS-IRXDYDNUSA-N 1 0 324.440 2.196 10 0 DEAERO CCS(=O)(=O)CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000157602620 197200951 /nfs/dbraw/zinc/20/09/51/197200951.db2.gz CEFZMEHKVNNPCR-UHFFFAOYSA-N 1 0 324.215 2.113 10 0 DEAERO CCCN[C@@](C)(CCC[N@H+](C)CCOC(C)C)C(=O)OC ZINC000157525685 197194306 /nfs/dbraw/zinc/19/43/06/197194306.db2.gz QQVRZZUHUPBMCE-INIZCTEOSA-N 1 0 302.459 2.055 10 0 DEAERO O=C(NCC[C@@H]1CCC[NH2+]1)c1c(F)cccc1Br ZINC000157389485 197183345 /nfs/dbraw/zinc/18/33/45/197183345.db2.gz VKBSJSMTJALXNJ-VIFPVBQESA-N 1 0 315.186 2.460 10 0 DEAERO C[C@@](O)(Cc1sccc1Br)C[C@@H]1COCC[NH2+]1 ZINC000156858539 197145703 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COc1cc(C)cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1O ZINC000155422166 197053199 /nfs/dbraw/zinc/05/31/99/197053199.db2.gz BQJJQLXYCAMHBC-JSGCOSHPSA-N 1 0 306.406 2.168 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)c1ccsc1 ZINC000155387101 197049481 /nfs/dbraw/zinc/04/94/81/197049481.db2.gz HZLIWBCCSSRYLI-HOTGVXAUSA-N 1 0 318.442 2.071 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(C1CC1)C1CCCC1 ZINC000175346934 285239221 /nfs/dbraw/zinc/23/92/21/285239221.db2.gz SQUVZYMPBKCQAG-QGZVFWFLSA-N 1 0 307.482 2.336 10 0 DEAERO OCC1(C[NH2+]C2c3ccccc3CCc3ccccc32)COC1 ZINC000180977978 285247433 /nfs/dbraw/zinc/24/74/33/285247433.db2.gz DPBNTIIHJKXJSP-UHFFFAOYSA-N 1 0 309.409 2.473 10 0 DEAERO C[NH2+]CCN(C)C(=O)CCOc1cccc(Cl)c1Cl ZINC000120397708 195158546 /nfs/dbraw/zinc/15/85/46/195158546.db2.gz GLQVZFCRHYIGFV-UHFFFAOYSA-N 1 0 305.205 2.440 10 0 DEAERO C[NH2+]CCN(C)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000120458218 195170968 /nfs/dbraw/zinc/17/09/68/195170968.db2.gz WBYHXQQPJQKTMV-OLZOCXBDSA-N 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CC[C@H]1N[C@H](c2cccs2)N(CC2CC[NH+](C)CC2)C1=O ZINC000122004809 195389514 /nfs/dbraw/zinc/38/95/14/195389514.db2.gz GKIRXBSJPFQTET-HIFRSBDPSA-N 1 0 307.463 2.299 10 0 DEAERO C[NH2+]CCCN(C)C(=O)c1cc(Br)cn1C1CC1 ZINC000124671914 195666655 /nfs/dbraw/zinc/66/66/55/195666655.db2.gz AGMTWHPKLZOQKJ-UHFFFAOYSA-N 1 0 314.227 2.267 10 0 DEAERO COCCNC(=O)[C@@H](C)Sc1ccc(C[NH2+]C(C)C)cc1 ZINC000124151006 195609958 /nfs/dbraw/zinc/60/99/58/195609958.db2.gz LETMXMJTUUEQPY-CYBMUJFWSA-N 1 0 310.463 2.428 10 0 DEAERO CC(C)(C)[C@H](C[NH2+]C1CC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000124845811 195686653 /nfs/dbraw/zinc/68/66/53/195686653.db2.gz BJWVNIFSXLHRCF-KGLIPLIRSA-N 1 0 316.511 2.462 10 0 DEAERO C[NH2+]C[C@@H]1CN(C(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000125688278 195776629 /nfs/dbraw/zinc/77/66/29/195776629.db2.gz BOHYTXBEPPZYKX-SECBINFHSA-N 1 0 303.189 2.054 10 0 DEAERO CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1cc2ccc(F)cc2s1 ZINC000125822325 195787879 /nfs/dbraw/zinc/78/78/79/195787879.db2.gz YQDXLODOQMJHRH-LBPRGKRZSA-N 1 0 308.378 2.101 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)C1 ZINC000246026458 304790888 /nfs/dbraw/zinc/79/08/88/304790888.db2.gz LBFGLNBPRVLQLC-HRCADAONSA-N 1 0 309.431 2.074 10 0 DEAERO COc1cccc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000121529125 132155980 /nfs/dbraw/zinc/15/59/80/132155980.db2.gz JRXWJBVFOXBPAA-GFCCVEGCSA-N 1 0 320.414 2.193 10 0 DEAERO CCc1nc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cs1 ZINC000174847760 132511084 /nfs/dbraw/zinc/51/10/84/132511084.db2.gz QOCGHIOLTHHKMW-CHWSQXEVSA-N 1 0 320.462 2.422 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCCS(C)(=O)=O ZINC000178682433 132535579 /nfs/dbraw/zinc/53/55/79/132535579.db2.gz LEWQGMUWMMHQPC-LLVKDONJSA-N 1 0 301.456 2.032 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000227635800 132551333 /nfs/dbraw/zinc/55/13/33/132551333.db2.gz PPIROFXNDPUXKJ-GXTWGEPZSA-N 1 0 314.426 2.238 10 0 DEAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1cccc(OCc2ccccn2)c1 ZINC000263343591 132582926 /nfs/dbraw/zinc/58/29/26/132582926.db2.gz YGTPROUAXGZNIH-CYBMUJFWSA-N 1 0 311.385 2.057 10 0 DEAERO CC(C)Cn1cnc(C2CC[NH2+]CC2)c(Br)c1=O ZINC000725243381 542769735 /nfs/dbraw/zinc/76/97/35/542769735.db2.gz AVQZLLXKEDDINB-UHFFFAOYSA-N 1 0 314.227 2.129 10 0 DEAERO C[C@H]1OCC[C@@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000355848207 133052166 /nfs/dbraw/zinc/05/21/66/133052166.db2.gz CMHVBOPIBQPZNY-PBHICJAKSA-N 1 0 302.418 2.192 10 0 DEAERO Cc1ncsc1CN(C)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358183177 133126529 /nfs/dbraw/zinc/12/65/29/133126529.db2.gz FGYNGVOUQWXPDB-UHFFFAOYSA-N 1 0 308.451 2.245 10 0 DEAERO O=C(NC[C@@H](CO)C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000359779655 133144546 /nfs/dbraw/zinc/14/45/46/133144546.db2.gz YCGAGIGGQQLMFM-MSOLQXFVSA-N 1 0 316.445 2.033 10 0 DEAERO CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000360075920 133160134 /nfs/dbraw/zinc/16/01/34/133160134.db2.gz VXTKHRYQJAOFOO-CQSZACIVSA-N 1 0 323.485 2.413 10 0 DEAERO COC(=O)c1ccc(-c2nc(CN3C[C@H](O)C[C@H]3C)co2)cc1 ZINC000360212373 133169143 /nfs/dbraw/zinc/16/91/43/133169143.db2.gz JFGOVIOFCWMRDE-IAQYHMDHSA-N 1 0 316.357 2.083 10 0 DEAERO Cn1c2cccc(F)c2nc1NC(=O)CC1CC[NH+](C)CC1 ZINC000362895037 133257791 /nfs/dbraw/zinc/25/77/91/133257791.db2.gz HSISRJZPPWGJHD-UHFFFAOYSA-N 1 0 304.369 2.383 10 0 DEAERO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC3(CCOCC3)[C@@H]2C)on1 ZINC000368217975 133264691 /nfs/dbraw/zinc/26/46/91/133264691.db2.gz CCJQTOXUGQJUSG-OLZOCXBDSA-N 1 0 307.394 2.201 10 0 DEAERO Cc1cc(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)on1 ZINC000376392005 133292791 /nfs/dbraw/zinc/29/27/91/133292791.db2.gz PNWWLGCHSROMRG-MRXNPFEDSA-N 1 0 305.422 2.439 10 0 DEAERO CCCc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000377567015 133335312 /nfs/dbraw/zinc/33/53/12/133335312.db2.gz NYDGVMNMOYFPEP-QZTJIDSGSA-N 1 0 316.445 2.310 10 0 DEAERO COC(=O)CC1(CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000372682741 133362033 /nfs/dbraw/zinc/36/20/33/133362033.db2.gz DPNRZRIZZWLZKM-CABCVRRESA-N 1 0 322.449 2.243 10 0 DEAERO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCCC23CCC3)c1 ZINC000373099047 133377908 /nfs/dbraw/zinc/37/79/08/133377908.db2.gz MCHVKIWNUDSFJT-UHFFFAOYSA-N 1 0 315.417 2.345 10 0 DEAERO NC(=[NH2+])c1ccc(N2CCCC[C@@H]2CO)cc1C(F)(F)F ZINC000048857827 134754378 /nfs/dbraw/zinc/75/43/78/134754378.db2.gz FGZKFDNIRAFSPZ-SNVBAGLBSA-N 1 0 301.312 2.341 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1c1ccccc1S(=O)(=O)C(F)F ZINC000053706685 134770898 /nfs/dbraw/zinc/77/08/98/134770898.db2.gz DJDSNMFJAATTDZ-NSHDSACASA-N 1 0 318.389 2.261 10 0 DEAERO O=S1(=O)CCCC[C@H]1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000563853443 292076200 /nfs/dbraw/zinc/07/62/00/292076200.db2.gz OXFANQBWQNXZFQ-JCYILVPMSA-N 1 0 323.458 2.291 10 0 DEAERO O=C(NC1CC[NH+](CC[C@@H]2CCOC2=O)CC1)C1CCCCC1 ZINC000120283642 144670942 /nfs/dbraw/zinc/67/09/42/144670942.db2.gz SEULQWBGWVMBSJ-OAHLLOKOSA-N 1 0 322.449 2.101 10 0 DEAERO CCO[C@H](C)c1nc(CN(C)C(=O)C[NH2+]CC2CC2)cs1 ZINC000178833019 144866300 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/nfs/dbraw/zinc/18/20/58/145182058.db2.gz LQINHBINHYFZIT-KRWDZBQOSA-N 1 0 319.424 2.002 10 0 DEAERO Fc1ccccc1-c1noc(CN2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000249332946 145182112 /nfs/dbraw/zinc/18/21/12/145182112.db2.gz HTGNBACRGBXILC-LBPRGKRZSA-N 1 0 302.353 2.156 10 0 DEAERO CSC[C@H](O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000249433098 145184421 /nfs/dbraw/zinc/18/44/21/145184421.db2.gz HPBABGHILGJBFM-XHSDSOJGSA-N 1 0 313.438 2.438 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[C@H]1C ZINC000251943331 145197329 /nfs/dbraw/zinc/19/73/29/145197329.db2.gz UUIUWNZMOXIESH-DJIMGWMZSA-N 1 0 319.449 2.356 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000261552895 145207296 /nfs/dbraw/zinc/20/72/96/145207296.db2.gz SAOKMDRXZMIIMC-RDJZCZTQSA-N 1 0 303.450 2.094 10 0 DEAERO C[C@H](COc1ccccc1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261635688 145212586 /nfs/dbraw/zinc/21/25/86/145212586.db2.gz AJZWIGFMDKLXOT-OAGGEKHMSA-N 1 0 302.418 2.160 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000261753860 145222938 /nfs/dbraw/zinc/22/29/38/145222938.db2.gz UEEMUWZLYJYUNS-BXKDBHETSA-N 1 0 302.296 2.313 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)n1 ZINC000261770834 145224057 /nfs/dbraw/zinc/22/40/57/145224057.db2.gz NBWBXFXOBVUCFC-MISXGVKJSA-N 1 0 314.389 2.482 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])nc21 ZINC000261767079 145224306 /nfs/dbraw/zinc/22/43/06/145224306.db2.gz KCBDAFBZYSQNCX-OCCSQVGLSA-N 1 0 314.433 2.390 10 0 DEAERO [NH3+][C@@H](C(=O)Nc1ccnc(-c2ccccc2)c1)C1CCOCC1 ZINC000261764029 145224356 /nfs/dbraw/zinc/22/43/56/145224356.db2.gz LWLZLIVKZMTENW-QGZVFWFLSA-N 1 0 311.385 2.441 10 0 DEAERO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261796779 145227424 /nfs/dbraw/zinc/22/74/24/145227424.db2.gz GUCQNUDYXFJLHI-MUGCCGGLSA-N 1 0 320.477 2.415 10 0 DEAERO C[C@H]1CCN(c2cc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)ccn2)C1 ZINC000261857652 145234335 /nfs/dbraw/zinc/23/43/35/145234335.db2.gz MXNJWOMILQIKID-ZFWWWQNUSA-N 1 0 316.449 2.127 10 0 DEAERO [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000261882771 145236976 /nfs/dbraw/zinc/23/69/76/145236976.db2.gz MUOPOGYMKPLSDC-CABCVRRESA-N 1 0 318.417 2.240 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261883671 145237254 /nfs/dbraw/zinc/23/72/54/145237254.db2.gz UVSNKKZSXANXLS-ZENOOKHLSA-N 1 0 321.440 2.451 10 0 DEAERO [NH3+]C1(C(=O)NCC2(Cc3ccccc3)CCC2)CCOCC1 ZINC000261876641 145237312 /nfs/dbraw/zinc/23/73/12/145237312.db2.gz OROJHXQCQGBHRD-UHFFFAOYSA-N 1 0 302.418 2.024 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)COc1ccc(F)cc1 ZINC000261885827 145237661 /nfs/dbraw/zinc/23/76/61/145237661.db2.gz PTHCMVMTPBQWRC-ZKHDCCDFSA-N 1 0 306.381 2.227 10 0 DEAERO c1cc(N2CCCC2)ncc1N[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261887949 145238013 /nfs/dbraw/zinc/23/80/13/145238013.db2.gz GAZIXYUDMGELFW-GVDBMIGSSA-N 1 0 316.449 2.251 10 0 DEAERO C[C@]1(CN2CCCN(C(=O)CC3CCCC3)CC2)CC[NH2+]C1 ZINC000261910193 145240043 /nfs/dbraw/zinc/24/00/43/145240043.db2.gz YAKGMZQEFDIZII-SFHVURJKSA-N 1 0 307.482 2.101 10 0 DEAERO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)c1cccs1 ZINC000261907972 145240404 /nfs/dbraw/zinc/24/04/04/145240404.db2.gz INZKTUMXOVPSEM-XUWVNRHRSA-N 1 0 323.506 2.098 10 0 DEAERO O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000261925030 145242794 /nfs/dbraw/zinc/24/27/94/145242794.db2.gz YCLLKGDDVGZDQK-DZGCQCFKSA-N 1 0 316.401 2.469 10 0 DEAERO CN(CC(=O)Nc1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261936038 145243999 /nfs/dbraw/zinc/24/39/99/145243999.db2.gz KHJWSQUXWOZQKK-QYJAPNMZSA-N 1 0 309.360 2.118 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C1=Cc2ccccc2OC1 ZINC000261936251 145244373 /nfs/dbraw/zinc/24/43/73/145244373.db2.gz WVPVDUBIJHBYLA-BDQJQXKSSA-N 1 0 312.413 2.485 10 0 DEAERO [NH3+][C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F)C1CC1 ZINC000261940559 145245116 /nfs/dbraw/zinc/24/51/16/145245116.db2.gz NDSAWAJWZTVXNV-JHJVBQTASA-N 1 0 310.344 2.245 10 0 DEAERO COc1cc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)ccc1NC(C)=O ZINC000261947148 145245700 /nfs/dbraw/zinc/24/57/00/145245700.db2.gz VUTYZOCLMYSVOX-OAHLLOKOSA-N 1 0 319.405 2.370 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1ccc2n[nH]cc2c1 ZINC000261953546 145246627 /nfs/dbraw/zinc/24/66/27/145246627.db2.gz WSOLYNDXLLKOIC-DXCKQFNASA-N 1 0 314.389 2.034 10 0 DEAERO Fc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1F ZINC000261966146 145247749 /nfs/dbraw/zinc/24/77/49/145247749.db2.gz QBNBAMBMIMWEBT-NUEKZKHPSA-N 1 0 310.388 2.254 10 0 DEAERO C[C@H]1CC(C)(C)CC[C@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261995680 145250712 /nfs/dbraw/zinc/25/07/12/145250712.db2.gz UBINNYFUANIQBS-DRPJVOAASA-N 1 0 318.465 2.054 10 0 DEAERO Cc1ccccc1-n1cc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261996255 145251122 /nfs/dbraw/zinc/25/11/22/145251122.db2.gz NENVVXIWYHVWAE-INIZCTEOSA-N 1 0 312.417 2.380 10 0 DEAERO C[C@@]1(CN2CCN(C(=O)CC3CCCCC3)CC2)CC[NH2+]C1 ZINC000261989305 145251394 /nfs/dbraw/zinc/25/13/94/145251394.db2.gz KCYLZCJFHUZVNH-GOSISDBHSA-N 1 0 307.482 2.101 10 0 DEAERO Clc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000262005612 145252093 /nfs/dbraw/zinc/25/20/93/145252093.db2.gz UYSSFFKPKDYILY-GVDBMIGSSA-N 1 0 324.852 2.466 10 0 DEAERO CO[C@H]1CCN(Cc2coc(-c3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000262038283 145256041 /nfs/dbraw/zinc/25/60/41/145256041.db2.gz BOKCNIVXLGZUNP-HOTGVXAUSA-N 1 0 301.390 2.280 10 0 DEAERO CC1(C)CN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC[C@@H]1[NH3+] ZINC000262055038 145257786 /nfs/dbraw/zinc/25/77/86/145257786.db2.gz RFOYOBDGUHZUCK-HNNXBMFYSA-N 1 0 315.417 2.235 10 0 DEAERO CC(C)c1ccccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262052626 145257934 /nfs/dbraw/zinc/25/79/34/145257934.db2.gz ZTSOXRGXVKRXRK-CVEARBPZSA-N 1 0 312.417 2.485 10 0 DEAERO Nc1ncc(C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)s1 ZINC000262076794 145259706 /nfs/dbraw/zinc/25/97/06/145259706.db2.gz SRLDKCPRKRRWIA-MRXNPFEDSA-N 1 0 303.431 2.295 10 0 DEAERO [NH3+]CC1(C(=O)Nc2ccc(OCC(F)F)cc2)CCOCC1 ZINC000262085948 145260946 /nfs/dbraw/zinc/26/09/46/145260946.db2.gz CQGCBRCBWKZSQI-UHFFFAOYSA-N 1 0 314.332 2.025 10 0 DEAERO Cc1ccc(OC2CCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000262228894 145271079 /nfs/dbraw/zinc/27/10/79/145271079.db2.gz QASUFTZVETZUHL-CQSZACIVSA-N 1 0 302.418 2.220 10 0 DEAERO C[C@@H](C(=O)N1CCC(Cc2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000262273071 145272958 /nfs/dbraw/zinc/27/29/58/145272958.db2.gz WBNUVFUBZUGEBB-CYBMUJFWSA-N 1 0 304.409 2.462 10 0 DEAERO C[C@H](C(=O)N1CCC(Cc2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000262273073 145273152 /nfs/dbraw/zinc/27/31/52/145273152.db2.gz WBNUVFUBZUGEBB-ZDUSSCGKSA-N 1 0 304.409 2.462 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000262301484 145274761 /nfs/dbraw/zinc/27/47/61/145274761.db2.gz KUJQRWSHGHTQRT-BDJLRTHQSA-N 1 0 311.376 2.177 10 0 DEAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)CCC1CCCC1 ZINC000262304458 145274978 /nfs/dbraw/zinc/27/49/78/145274978.db2.gz ATTRVEYDVFMNPT-UHFFFAOYSA-N 1 0 305.426 2.191 10 0 DEAERO C[C@H](Cc1cccs1)NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262398950 145281732 /nfs/dbraw/zinc/28/17/32/145281732.db2.gz CDPBLEOHFMRECV-LRCAOYNASA-N 1 0 322.474 2.328 10 0 DEAERO CC(=O)Nc1ccc(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000262489528 145287407 /nfs/dbraw/zinc/28/74/07/145287407.db2.gz KUMICOSLSNGHEO-HNNXBMFYSA-N 1 0 303.406 2.039 10 0 DEAERO COc1cc2nc(C)sc2cc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262498610 145288062 /nfs/dbraw/zinc/28/80/62/145288062.db2.gz ILOPEKSXSULELZ-QMMMGPOBSA-N 1 0 305.403 2.407 10 0 DEAERO C[C@H](C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)C1C[NH2+]C1 ZINC000262500558 145288106 /nfs/dbraw/zinc/28/81/06/145288106.db2.gz IQTHFUXNDKVWJZ-SMDDNHRTSA-N 1 0 322.380 2.178 10 0 DEAERO CN(CCc1cccs1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262575842 145294143 /nfs/dbraw/zinc/29/41/43/145294143.db2.gz YDDCRIQRWJSAOU-GRDNDAEWSA-N 1 0 322.474 2.282 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1Sc1nccn1C)C1C[NH2+]C1 ZINC000262573841 145294366 /nfs/dbraw/zinc/29/43/66/145294366.db2.gz SRRSTYQRBUCWDU-LLVKDONJSA-N 1 0 316.430 2.365 10 0 DEAERO CCOc1ccc(NC(=O)CN2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000262577541 145294797 /nfs/dbraw/zinc/29/47/97/145294797.db2.gz YKKIJJAPAFDWQR-ZFWWWQNUSA-N 1 0 305.422 2.083 10 0 DEAERO Cc1ccc(Cc2nnc(NC(=O)[C@@H](C)C3C[NH2+]C3)s2)cc1 ZINC000262580314 145294919 /nfs/dbraw/zinc/29/49/19/145294919.db2.gz UKMZZPYLZLSUJN-NSHDSACASA-N 1 0 316.430 2.231 10 0 DEAERO COc1ccc(C)cc1NC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262580590 145294951 /nfs/dbraw/zinc/29/49/51/145294951.db2.gz YWUYVPVPVXYHJN-OAHLLOKOSA-N 1 0 305.422 2.001 10 0 DEAERO C[NH2+]C1CCN(C(=O)C(C)(C)Cc2ccccc2OC)CC1 ZINC000262584669 145295482 /nfs/dbraw/zinc/29/54/82/145295482.db2.gz TXXLRBZFGDNWGR-UHFFFAOYSA-N 1 0 304.434 2.474 10 0 DEAERO O=C(C1=Cc2cc(Cl)ccc2OC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262598931 145296276 /nfs/dbraw/zinc/29/62/76/145296276.db2.gz NLWXTXXVKZCRJY-CABCVRRESA-N 1 0 318.804 2.469 10 0 DEAERO Cc1[nH]c2ccc(CNC(=O)C[C@@H]3CSCC[NH2+]3)cc2c1C ZINC000262808376 145306294 /nfs/dbraw/zinc/30/62/94/145306294.db2.gz QPBZSYSLOCHIDG-CQSZACIVSA-N 1 0 317.458 2.496 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CC[NH2+]1 ZINC000262932369 145312347 /nfs/dbraw/zinc/31/23/47/145312347.db2.gz SWTMMHPDSFYUDV-YPMHNXCESA-N 1 0 318.808 2.396 10 0 DEAERO Cc1c(-c2nc([C@H]3C[NH2+]CCN3C)no2)cnc2ccccc21 ZINC000263147953 145329720 /nfs/dbraw/zinc/32/97/20/145329720.db2.gz CWAIDMWZNOTWTK-OAHLLOKOSA-N 1 0 309.373 2.169 10 0 DEAERO CSc1ccc(C)c(-c2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263177702 145333242 /nfs/dbraw/zinc/33/32/42/145333242.db2.gz GIWFLSQZYJHATH-CYBMUJFWSA-N 1 0 304.419 2.343 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(CCc2cc3ccccc3o2)n1 ZINC000263182007 145333575 /nfs/dbraw/zinc/33/35/75/145333575.db2.gz GUSKCTDFOWGCMO-AWEZNQCLSA-N 1 0 312.373 2.177 10 0 DEAERO COCC[C@@H](COC)[NH2+]Cc1cc(O)ccc1Br ZINC000315011372 145358494 /nfs/dbraw/zinc/35/84/94/145358494.db2.gz JQPHGHQDOWETMO-NSHDSACASA-N 1 0 318.211 2.296 10 0 DEAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000332752089 145387695 /nfs/dbraw/zinc/38/76/95/145387695.db2.gz AONSVCPTMGOWSS-SSRUIJIPSA-N 1 0 323.481 2.220 10 0 DEAERO Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@@H](F)C[C@H]3CO)cc2)n1 ZINC000346413241 146077591 /nfs/dbraw/zinc/07/75/91/146077591.db2.gz PGPZXDGWQBOOHU-RDJZCZTQSA-N 1 0 303.381 2.394 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccccc1O ZINC000358285412 147106203 /nfs/dbraw/zinc/10/62/03/147106203.db2.gz ZNJAQWZNTFFFMA-OAHLLOKOSA-N 1 0 305.422 2.108 10 0 DEAERO CCN(CCCNC(=O)NC[C@H](CO)C1CC1)c1ccccc1 ZINC000358478858 147141417 /nfs/dbraw/zinc/14/14/17/147141417.db2.gz NMDJWOAFOXZSIT-MRXNPFEDSA-N 1 0 319.449 2.221 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000358488649 147143065 /nfs/dbraw/zinc/14/30/65/147143065.db2.gz WVYLBKBRYZSBMB-MRXNPFEDSA-N 1 0 319.449 2.357 10 0 DEAERO C[C@H](CC1CCCCC1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000358490807 147144176 /nfs/dbraw/zinc/14/41/76/147144176.db2.gz DJRMFDMGRJVYAE-MRXNPFEDSA-N 1 0 309.498 2.299 10 0 DEAERO C/C(=C\c1ccc(C)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371500266 148110398 /nfs/dbraw/zinc/11/03/98/148110398.db2.gz MKGSGZUYICKQOW-MGJGCBFKSA-N 1 0 314.429 2.378 10 0 DEAERO C/C(=C\C(C)(C)C)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000375379939 148364940 /nfs/dbraw/zinc/36/49/40/148364940.db2.gz OGMIAHFAQPUJNZ-CRMBIJGISA-N 1 0 321.509 2.463 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000565892011 292189258 /nfs/dbraw/zinc/18/92/58/292189258.db2.gz GEPNBQFVULEOSQ-AWEZNQCLSA-N 1 0 314.476 2.129 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000408407146 148600309 /nfs/dbraw/zinc/60/03/09/148600309.db2.gz KESKFMUPRVCSMU-ZDUSSCGKSA-N 1 0 318.417 2.272 10 0 DEAERO CCOC(=O)CCCNC(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000127120380 401720952 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CC[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nccs1 ZINC000074365783 401737190 /nfs/dbraw/zinc/73/71/90/401737190.db2.gz QGWZCXXQOPWSGA-FRRDWIJNSA-N 1 0 308.451 2.472 10 0 DEAERO C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC000112460737 401746645 /nfs/dbraw/zinc/74/66/45/401746645.db2.gz SEUAQNFUZQJHHT-CABCVRRESA-N 1 0 311.470 2.175 10 0 DEAERO COC(=O)CNC(=O)CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000111198377 401699592 /nfs/dbraw/zinc/69/95/92/401699592.db2.gz OKAKCPUWJYQKAG-INIZCTEOSA-N 1 0 324.808 2.060 10 0 DEAERO CC[N@H+](CCC(=O)NC(C)C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111252801 401704441 /nfs/dbraw/zinc/70/44/41/401704441.db2.gz PPKQJWLVTFAJKQ-MRXNPFEDSA-N 1 0 317.433 2.029 10 0 DEAERO [NH3+]C[C@@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1 ZINC000008037382 401747459 /nfs/dbraw/zinc/74/74/59/401747459.db2.gz RZIQHZMFHLUVFV-HNNXBMFYSA-N 1 0 323.345 2.028 10 0 DEAERO COc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)cc1 ZINC000072897505 401713668 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OCCOCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000010435642 401770285 /nfs/dbraw/zinc/77/02/85/401770285.db2.gz KMKIKOBKTOGCGC-UHFFFAOYSA-N 1 0 301.386 2.364 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2ncon2)cc1 ZINC000113222408 401770874 /nfs/dbraw/zinc/77/08/74/401770874.db2.gz CFPHEZRLFUBFPR-SWLSCSKDSA-N 1 0 312.373 2.045 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccccc1Cl ZINC000113223674 401770895 /nfs/dbraw/zinc/77/08/95/401770895.db2.gz NQJVNJJIMUDVOI-QWHCGFSZSA-N 1 0 308.809 2.414 10 0 DEAERO Cc1cccc(O[C@H](C)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113229469 401771357 /nfs/dbraw/zinc/77/13/57/401771357.db2.gz LWNKIBRCIKFMMG-XHSDSOJGSA-N 1 0 302.418 2.457 10 0 DEAERO COC(=O)Nc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000113233183 401771881 /nfs/dbraw/zinc/77/18/81/401771881.db2.gz LHOJYUILKSZIPA-IUODEOHRSA-N 1 0 317.389 2.174 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccsc2)no1 ZINC000113269354 401773876 /nfs/dbraw/zinc/77/38/76/401773876.db2.gz 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10 0 DEAERO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2c2ccco2)CCOCC1 ZINC000116552233 401854757 /nfs/dbraw/zinc/85/47/57/401854757.db2.gz IFNHDKNTEKOHQX-CQSZACIVSA-N 1 0 321.421 2.237 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc([S@](C)=O)cc1 ZINC000078615026 401858538 /nfs/dbraw/zinc/85/85/38/401858538.db2.gz BFSBZIWQAMLUFI-LHSJRXKWSA-N 1 0 310.463 2.130 10 0 DEAERO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000116887470 401863697 /nfs/dbraw/zinc/86/36/97/401863697.db2.gz VBOUNPRVPFEBDP-LBPRGKRZSA-N 1 0 310.444 2.025 10 0 DEAERO COC(=O)[C@@H](O)C1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000132750114 401872814 /nfs/dbraw/zinc/87/28/14/401872814.db2.gz NTMWVKQOVPXEKE-YOEHRIQHSA-N 1 0 305.418 2.111 10 0 DEAERO C[C@H](c1cn(-c2ccccc2)nn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000129977350 401813819 /nfs/dbraw/zinc/81/38/19/401813819.db2.gz PFABSWDINZPMTR-NVXWUHKLSA-N 1 0 311.433 2.498 10 0 DEAERO Cn1c(CNc2ccc(F)cc2)nnc1SCC[NH+](C)C ZINC000040177419 401924373 /nfs/dbraw/zinc/92/43/73/401924373.db2.gz MDCMGGKPRWAPDI-UHFFFAOYSA-N 1 0 309.414 2.220 10 0 DEAERO CCC[C@@H](C(=O)Nc1cccc(OCC(F)F)n1)[NH+](C)C ZINC000135253792 401932033 /nfs/dbraw/zinc/93/20/33/401932033.db2.gz LGVJMJDODWEOQV-JTQLQIEISA-N 1 0 301.337 2.394 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)CCOCC2CC2)CC1 ZINC000088546326 401933524 /nfs/dbraw/zinc/93/35/24/401933524.db2.gz QOHDJOAPHLQHEI-UHFFFAOYSA-N 1 0 311.470 2.176 10 0 DEAERO C[C@@]1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CCC[NH2+]1 ZINC000079510746 401875175 /nfs/dbraw/zinc/87/51/75/401875175.db2.gz QNIAXIKDAOFBLM-INIZCTEOSA-N 1 0 307.825 2.131 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CCC[NH2+]1 ZINC000079513208 401875334 /nfs/dbraw/zinc/87/53/34/401875334.db2.gz RDAIWTWQHNRFPV-LBPRGKRZSA-N 1 0 303.284 2.103 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1cc2cc(F)ccc2o1 ZINC000117757130 401883263 /nfs/dbraw/zinc/88/32/63/401883263.db2.gz MBKUDEXBEVILIH-UHFFFAOYSA-N 1 0 320.364 2.414 10 0 DEAERO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H](C)CO)CC1 ZINC000080148864 401888583 /nfs/dbraw/zinc/88/85/83/401888583.db2.gz CADNJKSUJMYGHA-HUUCEWRRSA-N 1 0 313.486 2.061 10 0 DEAERO Cc1cnn(CCNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000118064379 401890195 /nfs/dbraw/zinc/89/01/95/401890195.db2.gz QBVWSESIAKJAPT-YOEHRIQHSA-N 1 0 321.469 2.001 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCn2ccnc21 ZINC000080653667 401890994 /nfs/dbraw/zinc/89/09/94/401890994.db2.gz VJZIBIRUODXUME-HUUCEWRRSA-N 1 0 304.438 2.141 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000081445049 401896273 /nfs/dbraw/zinc/89/62/73/401896273.db2.gz HCGAIUANQGUWKQ-UHFFFAOYSA-N 1 0 306.454 2.276 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000089107818 401935748 /nfs/dbraw/zinc/93/57/48/401935748.db2.gz VEJTUYIAYAHSDL-ZYHUDNBSSA-N 1 0 302.465 2.106 10 0 DEAERO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083403389 401901217 /nfs/dbraw/zinc/90/12/17/401901217.db2.gz ADIKJWQKYMYWJH-KGLIPLIRSA-N 1 0 320.433 2.408 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(C)ccc1OC ZINC000036076764 401902135 /nfs/dbraw/zinc/90/21/35/401902135.db2.gz CGQOTOGEPUVGED-ZDUSSCGKSA-N 1 0 314.451 2.012 10 0 DEAERO CN(C1CCCCC1)S(=O)(=O)NCC1([NH3+])CCCCCC1 ZINC000036266775 401903874 /nfs/dbraw/zinc/90/38/74/401903874.db2.gz DMQHUFTVWCNEQQ-UHFFFAOYSA-N 1 0 317.499 2.137 10 0 DEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCS(=O)(=O)CC1 ZINC000036331459 401904475 /nfs/dbraw/zinc/90/44/75/401904475.db2.gz VQPBATSWOFPXKW-INIZCTEOSA-N 1 0 309.431 2.239 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccnc(OCC(F)F)c1 ZINC000134593726 401908165 /nfs/dbraw/zinc/90/81/65/401908165.db2.gz XWJSTIRWGUUKBE-NSHDSACASA-N 1 0 315.364 2.186 10 0 DEAERO CC(C)Oc1ccccc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000118803520 401908586 /nfs/dbraw/zinc/90/85/86/401908586.db2.gz BAZXPBJCWMKNBR-CQSZACIVSA-N 1 0 321.421 2.268 10 0 DEAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000084926199 401911943 /nfs/dbraw/zinc/91/19/43/401911943.db2.gz BWSKQPHRSSYMMD-OKZBNKHCSA-N 1 0 305.418 2.208 10 0 DEAERO [NH3+]C1CCN(c2ccccc2I)CC1 ZINC000037483581 401914021 /nfs/dbraw/zinc/91/40/21/401914021.db2.gz LPTOBQIQIFIBPB-UHFFFAOYSA-N 1 0 302.159 2.219 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cnn(-c3ccccc3)c2)C1 ZINC000118964287 401915301 /nfs/dbraw/zinc/91/53/01/401915301.db2.gz KOWRMPRVMBUABH-CQSZACIVSA-N 1 0 313.405 2.478 10 0 DEAERO CCSCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085824098 401918865 /nfs/dbraw/zinc/91/88/65/401918865.db2.gz NTCYDBLUFUYTIB-KBPBESRZSA-N 1 0 322.540 2.122 10 0 DEAERO C[C@H]1CN(CCCc2nc(-c3cccs3)no2)[C@@H](C)C[NH2+]1 ZINC000086469623 401923833 /nfs/dbraw/zinc/92/38/33/401923833.db2.gz NBGQWKQLJGQSBG-RYUDHWBXSA-N 1 0 306.435 2.413 10 0 DEAERO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000089614404 401954141 /nfs/dbraw/zinc/95/41/41/401954141.db2.gz BQMXHKMOJCOIJK-GJZGRUSLSA-N 1 0 311.470 2.460 10 0 DEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000119492209 401954238 /nfs/dbraw/zinc/95/42/38/401954238.db2.gz HBJMQIVMOPMCBA-ZIAGYGMSSA-N 1 0 315.421 2.175 10 0 DEAERO CC[C@@H](CO)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119583191 401960342 /nfs/dbraw/zinc/96/03/42/401960342.db2.gz VNTCDWUGFMSDQQ-WMZOPIPTSA-N 1 0 319.449 2.111 10 0 DEAERO CCN(CCc1nccs1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000119781973 401966467 /nfs/dbraw/zinc/96/64/67/401966467.db2.gz APDXGNINLKXCQQ-CYBMUJFWSA-N 1 0 310.467 2.201 10 0 DEAERO C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccccc1 ZINC000047578805 401983909 /nfs/dbraw/zinc/98/39/09/401983909.db2.gz SHXVJVGDQFPGAC-OAHLLOKOSA-N 1 0 305.422 2.159 10 0 DEAERO C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1cccc(Cl)c1 ZINC000120252753 401984353 /nfs/dbraw/zinc/98/43/53/401984353.db2.gz YUGICVBVFJEFON-IAQYHMDHSA-N 1 0 313.829 2.013 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCc1ccccc1OC ZINC000047981511 401992014 /nfs/dbraw/zinc/99/20/14/401992014.db2.gz BGMMRNKTFXQRAV-AWEZNQCLSA-N 1 0 307.438 2.267 10 0 DEAERO CCCc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)n(C)n1 ZINC000091092167 401993064 /nfs/dbraw/zinc/99/30/64/401993064.db2.gz VIVLODBYMFNXCY-CQSZACIVSA-N 1 0 305.426 2.075 10 0 DEAERO CC(C)[C@]1(O)C[N@@H+](C2CCN(C(=O)C3CCC3)CC2)C[C@H]1C ZINC000091435091 401996696 /nfs/dbraw/zinc/99/66/96/401996696.db2.gz CICIECVQTHVDNJ-RDTXWAMCSA-N 1 0 308.466 2.116 10 0 DEAERO COc1c(CN(C)CCOc2ccc(OC)cc2)c(C)nn1C ZINC000119358399 401944174 /nfs/dbraw/zinc/94/41/74/401944174.db2.gz QRIPQKDASOWQEU-UHFFFAOYSA-N 1 0 319.405 2.257 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2F)O1 ZINC000150817466 401996995 /nfs/dbraw/zinc/99/69/95/401996995.db2.gz NJVIZMPCTOAOSH-CJNGLKHVSA-N 1 0 308.397 2.283 10 0 DEAERO O=S(=O)([C@H]1CC[N@H+](CCCc2ccccc2)C1)N1CCCC1 ZINC000135661392 401949972 /nfs/dbraw/zinc/94/99/72/401949972.db2.gz GLQFRYXENBXYMZ-KRWDZBQOSA-N 1 0 322.474 2.119 10 0 DEAERO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000093077597 402011044 /nfs/dbraw/zinc/01/10/44/402011044.db2.gz MHOPZASNJAVUJV-DLBZAZTESA-N 1 0 319.493 2.408 10 0 DEAERO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NCC(F)(F)F)C12CCCC2 ZINC000121134748 402016864 /nfs/dbraw/zinc/01/68/64/402016864.db2.gz XKPKYELSJBJGEG-NEPJUHHUSA-N 1 0 322.371 2.335 10 0 DEAERO C[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccc2c(c1)OCO2 ZINC000093686117 402018765 /nfs/dbraw/zinc/01/87/65/402018765.db2.gz GQAKTEMZCADYHP-VIFPVBQESA-N 1 0 304.371 2.427 10 0 DEAERO Cc1cnc(CCN(C)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000121217267 402021005 /nfs/dbraw/zinc/02/10/05/402021005.db2.gz AJWGNCKXCDPDEN-CYBMUJFWSA-N 1 0 322.478 2.120 10 0 DEAERO Cc1cnc(CCN(C)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)s1 ZINC000121352668 402030284 /nfs/dbraw/zinc/03/02/84/402030284.db2.gz ZREJXTLYHFTKNG-YPMHNXCESA-N 1 0 322.478 2.261 10 0 DEAERO CCC[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCO1 ZINC000121384199 402031980 /nfs/dbraw/zinc/03/19/80/402031980.db2.gz NCYMDLGKTDEHCA-GPANFISMSA-N 1 0 311.470 2.317 10 0 DEAERO C[N@H+](CCCNC(=O)NCc1cscn1)Cc1ccccc1 ZINC000051308652 402033319 /nfs/dbraw/zinc/03/33/19/402033319.db2.gz GISIWCKRZBQVGA-UHFFFAOYSA-N 1 0 318.446 2.464 10 0 DEAERO Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000151481017 402039191 /nfs/dbraw/zinc/03/91/91/402039191.db2.gz BLVMYGAGMYQDJM-IUODEOHRSA-N 1 0 318.421 2.051 10 0 DEAERO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151546902 402042718 /nfs/dbraw/zinc/04/27/18/402042718.db2.gz GJYPICMPQYOKFL-OAHLLOKOSA-N 1 0 308.389 2.168 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccc3c(c2)OCO3)C1 ZINC000052594764 402044411 /nfs/dbraw/zinc/04/44/11/402044411.db2.gz HNAWCBPYJSQNCO-CQSZACIVSA-N 1 0 319.405 2.041 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(CO)c1 ZINC000121963008 402057751 /nfs/dbraw/zinc/05/77/51/402057751.db2.gz WUTIKRNXYJEVLW-YOEHRIQHSA-N 1 0 314.433 2.232 10 0 DEAERO C[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000122267707 402069371 /nfs/dbraw/zinc/06/93/71/402069371.db2.gz HGPPKOCCYZJLSG-OAHLLOKOSA-N 1 0 304.434 2.297 10 0 DEAERO CC[C@H]1CN(CCc2ccc(F)c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000152048964 402072840 /nfs/dbraw/zinc/07/28/40/402072840.db2.gz WSRZAQCFVOWOJE-HIFRSBDPSA-N 1 0 312.404 2.284 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000122411749 402077398 /nfs/dbraw/zinc/07/73/98/402077398.db2.gz WYOOAODQHUQHGN-CYBMUJFWSA-N 1 0 320.437 2.240 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCCc2occc21 ZINC000122659900 402089158 /nfs/dbraw/zinc/08/91/58/402089158.db2.gz SIQPNUCRBZPCCZ-HNNXBMFYSA-N 1 0 321.421 2.069 10 0 DEAERO O[C@@H](Cn1cnc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000058137210 402098688 /nfs/dbraw/zinc/09/86/88/402098688.db2.gz DQPOZPIVWUOICX-QGZVFWFLSA-N 1 0 307.397 2.456 10 0 DEAERO COc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000122928010 402101549 /nfs/dbraw/zinc/10/15/49/402101549.db2.gz AOVNYYSVDKUDQA-GXTWGEPZSA-N 1 0 306.406 2.259 10 0 DEAERO CCOC(=O)CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000152722460 402105370 /nfs/dbraw/zinc/10/53/70/402105370.db2.gz PSDLNXLUZNLABK-ZBFHGGJFSA-N 1 0 320.433 2.007 10 0 DEAERO COc1cc(C)ccc1OCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605598 402108241 /nfs/dbraw/zinc/10/82/41/402108241.db2.gz DMPYCHZESKMSKL-UHFFFAOYSA-N 1 0 318.417 2.079 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123146544 402113763 /nfs/dbraw/zinc/11/37/63/402113763.db2.gz WCSAJCRNVBGWRY-WBVHZDCISA-N 1 0 303.450 2.060 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123265881 402118805 /nfs/dbraw/zinc/11/88/05/402118805.db2.gz OGICMNJKIHYKKL-RDJZCZTQSA-N 1 0 303.450 2.060 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000097254914 402119697 /nfs/dbraw/zinc/11/96/97/402119697.db2.gz MMSMKGOHCWUKJH-CZUORRHYSA-N 1 0 315.417 2.059 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1sccc1C ZINC000151962301 402068157 /nfs/dbraw/zinc/06/81/57/402068157.db2.gz RQRNRJXGLFBUFT-HUUCEWRRSA-N 1 0 321.490 2.231 10 0 DEAERO CCc1nc2c(s1)[C@@H]([NH2+]C[C@H](C)N1CCOCC1)CCC2 ZINC000123382196 402124904 /nfs/dbraw/zinc/12/49/04/402124904.db2.gz VNFWMBQDZTYASB-STQMWFEESA-N 1 0 309.479 2.393 10 0 DEAERO O=C(C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000153166972 402130953 /nfs/dbraw/zinc/13/09/53/402130953.db2.gz ORVJMUAIBZZLPH-QZTJIDSGSA-N 1 0 314.429 2.072 10 0 DEAERO O=S(=O)(CCCC(F)(F)F)NCc1ccc2c(c1)C[NH2+]C2 ZINC000097829553 402133090 /nfs/dbraw/zinc/13/30/90/402133090.db2.gz UVFONUYZBSYPBP-UHFFFAOYSA-N 1 0 322.352 2.052 10 0 DEAERO COc1cccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123557649 402134546 /nfs/dbraw/zinc/13/45/46/402134546.db2.gz PCVVHGRYOFMEOJ-ZFWWWQNUSA-N 1 0 305.422 2.048 10 0 DEAERO C[C@H](C(=O)NC1CCCC1)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000066532699 402135952 /nfs/dbraw/zinc/13/59/52/402135952.db2.gz DMLITKGNMOXBCD-WBVHZDCISA-N 1 0 305.466 2.160 10 0 DEAERO c1cc(-c2noc(CN3CCC[C@H]3C[NH+]3CCCC3)n2)co1 ZINC000066537024 402136209 /nfs/dbraw/zinc/13/62/09/402136209.db2.gz VNXCIBPNWVYPLT-AWEZNQCLSA-N 1 0 302.378 2.390 10 0 DEAERO Cc1cccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000123737196 402144070 /nfs/dbraw/zinc/14/40/70/402144070.db2.gz DVYFDFJGXBTJCY-UHFFFAOYSA-N 1 0 304.438 2.498 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)C(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123762016 402145154 /nfs/dbraw/zinc/14/51/54/402145154.db2.gz VMPCUPSGPCQDKP-FZMZJTMJSA-N 1 0 308.809 2.464 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000123911605 402153421 /nfs/dbraw/zinc/15/34/21/402153421.db2.gz ZPZYUJBORPNFTG-DOMZBBRYSA-N 1 0 316.426 2.325 10 0 DEAERO C[NH+]1CCC(CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000101675890 402153705 /nfs/dbraw/zinc/15/37/05/402153705.db2.gz RHXNWXXIMPDPFZ-UHFFFAOYSA-N 1 0 316.380 2.287 10 0 DEAERO COc1ccc(OC)c(CN(C(=O)C2CC[NH2+]CC2)C2CC2)c1 ZINC000153543138 402151981 /nfs/dbraw/zinc/15/19/81/402151981.db2.gz IFSCWMDQJXZYPZ-UHFFFAOYSA-N 1 0 318.417 2.194 10 0 DEAERO COC(=O)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067360918 402157291 /nfs/dbraw/zinc/15/72/91/402157291.db2.gz CCTSOQJDOQPNCQ-MRXNPFEDSA-N 1 0 318.417 2.111 10 0 DEAERO CCn1c2cccc(F)c2nc1CN1CC[NH+](C2CC2)CC1 ZINC000103141634 402179834 /nfs/dbraw/zinc/17/98/34/402179834.db2.gz AHLCRSQOABQCBS-UHFFFAOYSA-N 1 0 302.397 2.475 10 0 DEAERO Cn1nccc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000124433536 402180185 /nfs/dbraw/zinc/18/01/85/402180185.db2.gz SKGCVEAGMTXESH-UHFFFAOYSA-N 1 0 313.405 2.338 10 0 DEAERO Cc1cc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c2ccccc2n1 ZINC000124589468 402186839 /nfs/dbraw/zinc/18/68/39/402186839.db2.gz BPFWJYSJJZAXTK-HZPDHXFCSA-N 1 0 313.445 2.430 10 0 DEAERO CC[C@H]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000068514872 402200451 /nfs/dbraw/zinc/20/04/51/402200451.db2.gz DBAZMHFXPXTPCZ-HNNXBMFYSA-N 1 0 316.449 2.096 10 0 DEAERO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000124172895 402167667 /nfs/dbraw/zinc/16/76/67/402167667.db2.gz VQXOOLYMPPIDMK-HOTGVXAUSA-N 1 0 302.422 2.338 10 0 DEAERO CCC[C@H](C(=O)Nc1cc2c(cc1F)NC(=O)CC2)[NH+](C)C ZINC000154269664 402202836 /nfs/dbraw/zinc/20/28/36/402202836.db2.gz SCSQRGWKJNBRDW-CQSZACIVSA-N 1 0 307.369 2.379 10 0 DEAERO COc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c(C)n1 ZINC000124301083 402174020 /nfs/dbraw/zinc/17/40/20/402174020.db2.gz WGTZGXVYUMEOEZ-UHFFFAOYSA-N 1 0 318.421 2.491 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCCc2csc(C(C)(C)C)n2)C1 ZINC000153846226 402174199 /nfs/dbraw/zinc/17/41/99/402174199.db2.gz FWASNRYAJQVAIT-ZDUSSCGKSA-N 1 0 324.494 2.329 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)C[C@@H]2CCCO2)C1 ZINC000102903317 402174545 /nfs/dbraw/zinc/17/45/45/402174545.db2.gz KZTIESHENOUWRP-OAGGEKHMSA-N 1 0 311.470 2.175 10 0 DEAERO CCc1cc(NCC[N@H+](C)CCOC)nc(-c2ccccn2)n1 ZINC000068698953 402204280 /nfs/dbraw/zinc/20/42/80/402204280.db2.gz GJHFOYFNNWRJHW-UHFFFAOYSA-N 1 0 315.421 2.091 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2csc(C(C)(C)C)n2)C1 ZINC000153846325 402174846 /nfs/dbraw/zinc/17/48/46/402174846.db2.gz FWASNRYAJQVAIT-CYBMUJFWSA-N 1 0 324.494 2.329 10 0 DEAERO Cc1ccc(F)c(OCC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000126085059 402263736 /nfs/dbraw/zinc/26/37/36/402263736.db2.gz ARFIYMCVJARJBM-DZGCQCFKSA-N 1 0 308.397 2.358 10 0 DEAERO CCCOc1ccc(NC(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000125444585 402232792 /nfs/dbraw/zinc/23/27/92/402232792.db2.gz GOMQLGAROAGRNH-CQSZACIVSA-N 1 0 321.421 2.318 10 0 DEAERO C[C@H]1C[NH+](CC2CCN(C(=O)C3=COCCC3)CC2)C[C@H](C)O1 ZINC000107586590 402235821 /nfs/dbraw/zinc/23/58/21/402235821.db2.gz WABIYFXKCPOAGX-GJZGRUSLSA-N 1 0 322.449 2.029 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000154933986 402238973 /nfs/dbraw/zinc/23/89/73/402238973.db2.gz GHWOSOVSJPHTGE-HNNXBMFYSA-N 1 0 313.405 2.028 10 0 DEAERO O=S(=O)(Cc1ccccc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107707752 402239208 /nfs/dbraw/zinc/23/92/08/402239208.db2.gz BZGBEEOPUNZUDD-QGZVFWFLSA-N 1 0 322.474 2.467 10 0 DEAERO CCC(C)(C)NC(=O)CN(C)Cc1cn(C)nc1C(F)(F)F ZINC000155080600 402244360 /nfs/dbraw/zinc/24/43/60/402244360.db2.gz UPRFDBSVJZHTJA-UHFFFAOYSA-N 1 0 320.359 2.176 10 0 DEAERO COc1ccc2nc(C(=O)NC[C@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000108326783 402249958 /nfs/dbraw/zinc/24/99/58/402249958.db2.gz XCONCKMQRVATRN-CYBMUJFWSA-N 1 0 313.401 2.315 10 0 DEAERO CCCC1(CNC(=O)N2CCN(CCOC)[C@@H](C)C2)CCC1 ZINC000155337064 402253255 /nfs/dbraw/zinc/25/32/55/402253255.db2.gz SOMITJICVHVTDJ-HNNXBMFYSA-N 1 0 311.470 2.319 10 0 DEAERO CCCN(C[C@H]1CCCCO1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108590357 402257753 /nfs/dbraw/zinc/25/77/53/402257753.db2.gz KTQLUNPRWJSTSK-HZPDHXFCSA-N 1 0 311.470 2.319 10 0 DEAERO [NH3+][C@H]1CCCN(c2ncccc2-c2nc(-c3ccncc3)no2)C1 ZINC000070458049 402260954 /nfs/dbraw/zinc/26/09/54/402260954.db2.gz CPJODIMGAKFWEG-ZDUSSCGKSA-N 1 0 322.372 2.121 10 0 DEAERO C(c1noc2c1CCCC2)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000108859320 402262943 /nfs/dbraw/zinc/26/29/43/402262943.db2.gz IITNVXLGQJONEY-UHFFFAOYSA-N 1 0 319.449 2.098 10 0 DEAERO Cc1noc(C)c1CNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000154355293 402208030 /nfs/dbraw/zinc/20/80/30/402208030.db2.gz FWZWBBFSXODFNV-CQSZACIVSA-N 1 0 308.426 2.211 10 0 DEAERO CCC(CC)C(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000105830221 402209863 /nfs/dbraw/zinc/20/98/63/402209863.db2.gz RIKNAXXOYVYNCU-UHFFFAOYSA-N 1 0 306.454 2.374 10 0 DEAERO CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886847 402210471 /nfs/dbraw/zinc/21/04/71/402210471.db2.gz HARNLRSDLSRGME-HNNXBMFYSA-N 1 0 306.454 2.146 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000105896411 402210571 /nfs/dbraw/zinc/21/05/71/402210571.db2.gz JQSOADUDEGXHAK-MRXNPFEDSA-N 1 0 318.465 2.485 10 0 DEAERO COc1c(C)cnc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1C ZINC000105919360 402211149 /nfs/dbraw/zinc/21/11/49/402211149.db2.gz ZPARUPRMFJALEQ-OAHLLOKOSA-N 1 0 315.421 2.211 10 0 DEAERO COc1cccc([C@H]2C[C@H](O)CN2c2ncnc3[nH]ccc32)c1 ZINC000225701020 402322192 /nfs/dbraw/zinc/32/21/92/402322192.db2.gz ZSIGFKXOCAYQBO-SWLSCSKDSA-N 1 0 310.357 2.279 10 0 DEAERO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2Cc2cnn(C)c2C)c1 ZINC000225730541 402322455 /nfs/dbraw/zinc/32/24/55/402322455.db2.gz YUMGFFCEFWEDQF-RDJZCZTQSA-N 1 0 301.390 2.045 10 0 DEAERO CC(C)OCC[NH+]1CCC(NC(=O)N2CCCC2(C)C)CC1 ZINC000176618363 402323593 /nfs/dbraw/zinc/32/35/93/402323593.db2.gz ZAUROEIHTRFYFG-UHFFFAOYSA-N 1 0 311.470 2.460 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CCc1nnc(C2CCCC2)o1 ZINC000155799904 402267652 /nfs/dbraw/zinc/26/76/52/402267652.db2.gz YXJAJCHQYOFYEV-STQMWFEESA-N 1 0 320.437 2.211 10 0 DEAERO CCn1nccc1CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(OC)c1 ZINC000225787171 402323827 /nfs/dbraw/zinc/32/38/27/402323827.db2.gz YRPGMLGYUMTPSX-FUHWJXTLSA-N 1 0 315.417 2.262 10 0 DEAERO COCC[N@H+](C)CCNC(=O)c1cc(C)c(F)cc1Cl ZINC000126293792 402274244 /nfs/dbraw/zinc/27/42/44/402274244.db2.gz JLAFSFYPGOEKQX-UHFFFAOYSA-N 1 0 302.777 2.096 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(OC(C)(C)C)cc2)CCO1 ZINC000176059583 402274783 /nfs/dbraw/zinc/27/47/83/402274783.db2.gz KGZKKQNJHZFOFG-MRXNPFEDSA-N 1 0 320.433 2.267 10 0 DEAERO CCC1(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC1 ZINC000176091199 402277857 /nfs/dbraw/zinc/27/78/57/402277857.db2.gz OKNAKDQWOQLECU-CQSZACIVSA-N 1 0 309.454 2.119 10 0 DEAERO CC(=O)[C@@H]1C[C@H](C(=O)NC2CCC(C[NH+](C)C)CC2)C1(C)C ZINC000156644007 402286298 /nfs/dbraw/zinc/28/62/98/402286298.db2.gz BTFVJJIRBNFGHO-SSHXOBKSSA-N 1 0 308.466 2.474 10 0 DEAERO CC[N@H+](CCc1ccccc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176630367 402324742 /nfs/dbraw/zinc/32/47/42/402324742.db2.gz CAVUDVGLCJRQBM-KRWDZBQOSA-N 1 0 324.490 2.223 10 0 DEAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCCC1 ZINC000184659935 402289328 /nfs/dbraw/zinc/28/93/28/402289328.db2.gz LLRWAUYJUHEIIM-GFCCVEGCSA-N 1 0 324.446 2.197 10 0 DEAERO CCOC[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000176337526 402300993 /nfs/dbraw/zinc/30/09/93/402300993.db2.gz FIPLUHWCNWXFBB-OLZOCXBDSA-N 1 0 322.371 2.146 10 0 DEAERO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000184824722 402301695 /nfs/dbraw/zinc/30/16/95/402301695.db2.gz LBYLWUBRBAEKFU-CVEARBPZSA-N 1 0 316.380 2.145 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCOCc1ccccc1 ZINC000176368503 402303716 /nfs/dbraw/zinc/30/37/16/402303716.db2.gz HVBYORGGVOCLFW-MRXNPFEDSA-N 1 0 319.449 2.377 10 0 DEAERO C[C@@H](CO)[C@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176393113 402305304 /nfs/dbraw/zinc/30/53/04/402305304.db2.gz CPOQSABHUMXHHQ-KBPBESRZSA-N 1 0 311.470 2.100 10 0 DEAERO C[C@@H](CO)[C@@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176393083 402305328 /nfs/dbraw/zinc/30/53/28/402305328.db2.gz CPOQSABHUMXHHQ-UONOGXRCSA-N 1 0 311.470 2.100 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1Cc2ccccc2C1 ZINC000184916432 402309105 /nfs/dbraw/zinc/30/91/05/402309105.db2.gz MCNRAJIASZWVIC-ZWKOTPCHSA-N 1 0 313.445 2.422 10 0 DEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc2nnn(C)c2c1 ZINC000184925211 402309677 /nfs/dbraw/zinc/30/96/77/402309677.db2.gz ROTZGHJXMWVVHR-CYBMUJFWSA-N 1 0 317.437 2.209 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](COC)c1ccco1 ZINC000176437772 402309802 /nfs/dbraw/zinc/30/98/02/402309802.db2.gz HEAIIMPCXZJNKM-KBPBESRZSA-N 1 0 309.410 2.093 10 0 DEAERO O=C(NCCOCc1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000176443855 402310338 /nfs/dbraw/zinc/31/03/38/402310338.db2.gz XKJNRBYBQSJNAS-QGZVFWFLSA-N 1 0 317.433 2.083 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSCc2cccnc2)C1 ZINC000158816588 402312510 /nfs/dbraw/zinc/31/25/10/402312510.db2.gz HFDMWZRCNBKVIN-HIFRSBDPSA-N 1 0 307.463 2.160 10 0 DEAERO CCC1(CO)CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185045057 402319539 /nfs/dbraw/zinc/31/95/39/402319539.db2.gz FXAVOKVMXZBLRU-UHFFFAOYSA-N 1 0 304.394 2.060 10 0 DEAERO Cc1cccc2c(NCCCNS(C)(=O)=O)c(C)c[nH+]c12 ZINC000185266700 402340070 /nfs/dbraw/zinc/34/00/70/402340070.db2.gz BSIAGELVYYIAGK-UHFFFAOYSA-N 1 0 307.419 2.203 10 0 DEAERO COc1ccc(C)cc1NC(=O)C[N@H+](C)[C@@H](CO)CC(C)C ZINC000185330969 402343741 /nfs/dbraw/zinc/34/37/41/402343741.db2.gz AMGZQVFGHPKABK-CQSZACIVSA-N 1 0 308.422 2.281 10 0 DEAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000185333947 402344679 /nfs/dbraw/zinc/34/46/79/402344679.db2.gz YCFUZCVZLVVHSD-ZDUSSCGKSA-N 1 0 305.374 2.337 10 0 DEAERO CCOc1ccccc1NC(=O)C[N@H+](C)[C@H](CO)CC(C)C ZINC000185339066 402345260 /nfs/dbraw/zinc/34/52/60/402345260.db2.gz NZKDCWGKNMNULN-AWEZNQCLSA-N 1 0 308.422 2.363 10 0 DEAERO CCOc1ccccc1NC(=O)C[N@H+](C)[C@@H](CO)CC(C)C ZINC000185339084 402345427 /nfs/dbraw/zinc/34/54/27/402345427.db2.gz NZKDCWGKNMNULN-CQSZACIVSA-N 1 0 308.422 2.363 10 0 DEAERO CCOc1cc(C(=O)NC[C@@H](CC[NH+](C)C)OCC)ccc1C ZINC000176904328 402348487 /nfs/dbraw/zinc/34/84/87/402348487.db2.gz YRHUETHJOCYNRF-MRXNPFEDSA-N 1 0 322.449 2.480 10 0 DEAERO COC(=O)c1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)o1 ZINC000185443249 402352687 /nfs/dbraw/zinc/35/26/87/402352687.db2.gz OAJKUQWCYGDRHP-LBPRGKRZSA-N 1 0 308.378 2.061 10 0 DEAERO CC(C)CCOC1CC[NH+](C[C@H](C)CS(C)(=O)=O)CC1 ZINC000176964219 402354664 /nfs/dbraw/zinc/35/46/64/402354664.db2.gz ZJOSDMALQBDZOO-AWEZNQCLSA-N 1 0 305.484 2.194 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000177015053 402359339 /nfs/dbraw/zinc/35/93/39/402359339.db2.gz PPYAEDQETQAKKR-HOCLYGCPSA-N 1 0 306.381 2.072 10 0 DEAERO CCOc1ccc(OCC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000177017228 402359953 /nfs/dbraw/zinc/35/99/53/402359953.db2.gz MZHHGEPZSVCGJT-OAHLLOKOSA-N 1 0 320.433 2.407 10 0 DEAERO Cn1cncc1C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000177023718 402360346 /nfs/dbraw/zinc/36/03/46/402360346.db2.gz GHEABIJFPYKUSA-UHFFFAOYSA-N 1 0 324.428 2.221 10 0 DEAERO COC[C@@H](C)OC[C@@H](O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000234785154 402360895 /nfs/dbraw/zinc/36/08/95/402360895.db2.gz YMGLCSLLSWCIRV-JMSVASOKSA-N 1 0 301.814 2.403 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000177044621 402363800 /nfs/dbraw/zinc/36/38/00/402363800.db2.gz PPSCZMYYISXHFA-XJKSGUPXSA-N 1 0 320.481 2.158 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000177080981 402367655 /nfs/dbraw/zinc/36/76/55/402367655.db2.gz QSRSQIPEMZGBTJ-OAHLLOKOSA-N 1 0 305.422 2.224 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)C12CCOCC2 ZINC000185663993 402368066 /nfs/dbraw/zinc/36/80/66/402368066.db2.gz BDTLOMOUBIBMIM-SJORKVTESA-N 1 0 315.417 2.398 10 0 DEAERO CCc1cccc(OCC[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177223739 402383264 /nfs/dbraw/zinc/38/32/64/402383264.db2.gz PRAOYZKDVNPJOH-QFBILLFUSA-N 1 0 318.461 2.280 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(OC)CCCCC1 ZINC000185920484 402389046 /nfs/dbraw/zinc/38/90/46/402389046.db2.gz NZPLQOMTRLZTDQ-OAHLLOKOSA-N 1 0 311.470 2.461 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C1(CC)CC ZINC000176676976 402327808 /nfs/dbraw/zinc/32/78/08/402327808.db2.gz PGJGJVWSSYBFJQ-SOUVJXGZSA-N 1 0 311.470 2.316 10 0 DEAERO O=C(CC[N@@H+]1CCO[C@]2(CCOC2)C1)Nc1ccccc1Cl ZINC000185187030 402332374 /nfs/dbraw/zinc/33/23/74/402332374.db2.gz BSKVFJLAZCIAIM-MRXNPFEDSA-N 1 0 324.808 2.160 10 0 DEAERO CC[C@H]1CN(c2ncnc3cccc(C)c32)CC[N@@H+]1CCOC ZINC000176807265 402339414 /nfs/dbraw/zinc/33/94/14/402339414.db2.gz MMMNJXVJTUUSGP-HNNXBMFYSA-N 1 0 314.433 2.485 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000237094300 402394737 /nfs/dbraw/zinc/39/47/37/402394737.db2.gz CYFAQPBOVBWFES-UHFFFAOYSA-N 1 0 318.421 2.041 10 0 DEAERO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCn2ccnc21 ZINC000177452911 402404033 /nfs/dbraw/zinc/40/40/33/402404033.db2.gz KXLWFZJMTJTRMY-INIZCTEOSA-N 1 0 316.449 2.284 10 0 DEAERO COC(=O)c1coc(C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000186204571 402410364 /nfs/dbraw/zinc/41/03/64/402410364.db2.gz GCRRUYGYJSBHCZ-UHFFFAOYSA-N 1 0 316.357 2.058 10 0 DEAERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCc2nc(C(C)(C)C)no2)C1 ZINC000177520899 402412107 /nfs/dbraw/zinc/41/21/07/402412107.db2.gz ZAISCGQPRFILJG-STQMWFEESA-N 1 0 322.453 2.289 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCNc1ccccn1 ZINC000177524499 402412376 /nfs/dbraw/zinc/41/23/76/402412376.db2.gz SLZDCSAEPCNGPJ-OAHLLOKOSA-N 1 0 319.453 2.009 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2ccc3c(c2O)CCCC3)CC1 ZINC000186230752 402413327 /nfs/dbraw/zinc/41/33/27/402413327.db2.gz ODYBRVORGQSHTQ-UHFFFAOYSA-N 1 0 302.418 2.437 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CN2CCCCC2)C12CCOCC2 ZINC000186238875 402414518 /nfs/dbraw/zinc/41/45/18/402414518.db2.gz MIXZKBDEMMHFQC-GVDBMIGSSA-N 1 0 310.482 2.425 10 0 DEAERO CCOc1cccnc1C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186290500 402418259 /nfs/dbraw/zinc/41/82/59/402418259.db2.gz WMCKFPGHHPZAPA-CQSZACIVSA-N 1 0 305.422 2.475 10 0 DEAERO Cc1c(C(=O)N2CCC[C@@H]2C[NH3+])cnn1-c1ccccc1Cl ZINC000237750612 402420414 /nfs/dbraw/zinc/42/04/14/402420414.db2.gz PFJYDIIUFWSHEF-GFCCVEGCSA-N 1 0 318.808 2.397 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]CCc2c(C)noc2C)C12CCOCC2 ZINC000186329102 402421667 /nfs/dbraw/zinc/42/16/67/402421667.db2.gz CWLPUXHTARTUMC-HOTGVXAUSA-N 1 0 308.422 2.398 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2)C12CCOCC2 ZINC000186341201 402422728 /nfs/dbraw/zinc/42/27/28/402422728.db2.gz JNLJITDDJNDKLH-IKGGRYGDSA-N 1 0 305.418 2.284 10 0 DEAERO COc1cc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc(OC)c1 ZINC000162599499 402425809 /nfs/dbraw/zinc/42/58/09/402425809.db2.gz JZEILMNWKYROPA-UHFFFAOYSA-N 1 0 306.406 2.004 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)C12CCOCC2 ZINC000186418883 402429846 /nfs/dbraw/zinc/42/98/46/402429846.db2.gz BLVFFQZHDYYOHI-VVLHAWIVSA-N 1 0 310.482 2.279 10 0 DEAERO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ncncc1Cl ZINC000177721958 402430023 /nfs/dbraw/zinc/43/00/23/402430023.db2.gz YHWJDXFHVYRZHO-UHFFFAOYSA-N 1 0 308.813 2.267 10 0 DEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2nnc(-c3ccccn3)s2)C1 ZINC000238055989 402435128 /nfs/dbraw/zinc/43/51/28/402435128.db2.gz WYKCZEXNABFPBZ-UWVGGRQHSA-N 1 0 303.391 2.056 10 0 DEAERO O=C(/C=C/c1cnc2ccccc2n1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186515914 402437685 /nfs/dbraw/zinc/43/76/85/402437685.db2.gz DINHIZYOFZKUJR-VSGCLNPGSA-N 1 0 322.412 2.386 10 0 DEAERO CCc1c(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)[nH]c(C)c1C(C)=O ZINC000186533306 402439947 /nfs/dbraw/zinc/43/99/47/402439947.db2.gz ZDXQTNHROWETLW-ZDUSSCGKSA-N 1 0 317.433 2.445 10 0 DEAERO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000163078064 402440983 /nfs/dbraw/zinc/44/09/83/402440983.db2.gz ZRQQVLOYMKNNNE-ZIAGYGMSSA-N 1 0 315.421 2.079 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cc(F)ccc1OC ZINC000186569047 402442815 /nfs/dbraw/zinc/44/28/15/402442815.db2.gz BRULDXVFWOLIER-LBPRGKRZSA-N 1 0 311.401 2.364 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3cncnc3)cc2F)C1 ZINC000186590521 402445263 /nfs/dbraw/zinc/44/52/63/402445263.db2.gz YPKKACPFYYNNID-AWEZNQCLSA-N 1 0 314.364 2.059 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1Cc2ccccc2C1 ZINC000186607104 402447310 /nfs/dbraw/zinc/44/73/10/402447310.db2.gz YGUJCKPIKRZBSZ-KRWDZBQOSA-N 1 0 303.450 2.429 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccn2ccnc2c1 ZINC000177968556 402447835 /nfs/dbraw/zinc/44/78/35/402447835.db2.gz OGFZBYXJPLJAJC-HNNXBMFYSA-N 1 0 317.437 2.110 10 0 DEAERO Cc1ccc(OCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000161564466 402392063 /nfs/dbraw/zinc/39/20/63/402392063.db2.gz DZYXYJOSBOSNRI-XYPWUTKMSA-N 1 0 302.418 2.424 10 0 DEAERO COc1cc(F)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000177355733 402394488 /nfs/dbraw/zinc/39/44/88/402394488.db2.gz MPIWTWDYDRJKKA-SNVBAGLBSA-N 1 0 311.332 2.285 10 0 DEAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000178038163 402454669 /nfs/dbraw/zinc/45/46/69/402454669.db2.gz MYZPEOMBEGHUGW-SUMWQHHRSA-N 1 0 314.433 2.079 10 0 DEAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc2c(c1)OCO2 ZINC000178048915 402455595 /nfs/dbraw/zinc/45/55/95/402455595.db2.gz DQUGODDFLRARGW-GFCCVEGCSA-N 1 0 323.356 2.242 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000186696247 402456701 /nfs/dbraw/zinc/45/67/01/402456701.db2.gz YTRPBVXSTMMQMR-XHDPSFHLSA-N 1 0 318.808 2.254 10 0 DEAERO CC(C)COC[C@H](O)CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245407124 402457494 /nfs/dbraw/zinc/45/74/94/402457494.db2.gz ZOQBSAHHUWMNLX-KBAYOESNSA-N 1 0 307.434 2.482 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000246125082 402511957 /nfs/dbraw/zinc/51/19/57/402511957.db2.gz ODRWSNAXINUUMY-RRFJBIMHSA-N 1 0 320.433 2.372 10 0 DEAERO COC[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc(C)o1 ZINC000245424809 402459219 /nfs/dbraw/zinc/45/92/19/402459219.db2.gz CZQIUUZIVFYAHZ-HIFRSBDPSA-N 1 0 323.437 2.449 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)CCc1cccn1C ZINC000245430260 402459587 /nfs/dbraw/zinc/45/95/87/402459587.db2.gz ZPNJXJWMGQMHFH-NVXWUHKLSA-N 1 0 320.481 2.472 10 0 DEAERO [NH3+]C1(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)CCCC1 ZINC000178101408 402461113 /nfs/dbraw/zinc/46/11/13/402461113.db2.gz MRMWTXGUXRGNGU-UHFFFAOYSA-N 1 0 317.364 2.411 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CC(=O)N1CCCC[C@H]1C)CC2 ZINC000245496123 402466157 /nfs/dbraw/zinc/46/61/57/402466157.db2.gz QUPAGPIGLFRCAN-ZACQAIPSSA-N 1 0 307.482 2.335 10 0 DEAERO CCOc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(N)=O)CC1)CCO2 ZINC000178178652 402468268 /nfs/dbraw/zinc/46/82/68/402468268.db2.gz JHSVMOMJUGWGHY-HNNXBMFYSA-N 1 0 319.405 2.042 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cncc(F)c1 ZINC000178194804 402470047 /nfs/dbraw/zinc/47/00/47/402470047.db2.gz KZWFDTKBQYDWOG-IUODEOHRSA-N 1 0 301.369 2.330 10 0 DEAERO CC(C)Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc(=O)[nH]1 ZINC000245560958 402470705 /nfs/dbraw/zinc/47/07/05/402470705.db2.gz JUFAPOWUTJBPPO-CJNGLKHVSA-N 1 0 317.433 2.294 10 0 DEAERO Cc1cc(C(=O)NC2CC[NH+](C[C@](C)(O)C(C)C)CC2)c(C)o1 ZINC000186934413 402472026 /nfs/dbraw/zinc/47/20/26/402472026.db2.gz URYGJPXMUSCXNU-SFHVURJKSA-N 1 0 322.449 2.498 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(O)ccc1OC ZINC000186957466 402473994 /nfs/dbraw/zinc/47/39/94/402473994.db2.gz FEFAIRZZWSPWOS-CYBMUJFWSA-N 1 0 306.406 2.395 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1csc(Br)c1 ZINC000165451054 402476115 /nfs/dbraw/zinc/47/61/15/402476115.db2.gz KTPAKBBUZPDQLM-LLVKDONJSA-N 1 0 308.241 2.388 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000246138613 402512861 /nfs/dbraw/zinc/51/28/61/402512861.db2.gz FYBIGEHDQVHURU-QZTJIDSGSA-N 1 0 320.477 2.398 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)no1 ZINC000245654154 402477381 /nfs/dbraw/zinc/47/73/81/402477381.db2.gz FOEAFAVPYDAVTH-HIFRSBDPSA-N 1 0 321.327 2.436 10 0 DEAERO COc1ccc(O)cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000187108991 402483078 /nfs/dbraw/zinc/48/30/78/402483078.db2.gz OVTFBJHIKPPBSC-MRXNPFEDSA-N 1 0 314.385 2.434 10 0 DEAERO CCCOc1cccc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000245740511 402484952 /nfs/dbraw/zinc/48/49/52/402484952.db2.gz LPMWLTDTOAIVAZ-CVEARBPZSA-N 1 0 306.450 2.362 10 0 DEAERO [NH3+]C1(C(=O)N2CCC[C@@H](C(F)(F)F)C2)Cc2ccccc2C1 ZINC000178330562 402485733 /nfs/dbraw/zinc/48/57/33/402485733.db2.gz JOLFIKCBMXYLNW-CYBMUJFWSA-N 1 0 312.335 2.284 10 0 DEAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000178353875 402488870 /nfs/dbraw/zinc/48/88/70/402488870.db2.gz KFMFKNWRKAYPKK-LSDHHAIUSA-N 1 0 314.351 2.261 10 0 DEAERO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000245856418 402491324 /nfs/dbraw/zinc/49/13/24/402491324.db2.gz DQKDHJVJLJYOGS-DOTOQJQBSA-N 1 0 317.433 2.321 10 0 DEAERO CCOc1ncccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246158605 402513552 /nfs/dbraw/zinc/51/35/52/402513552.db2.gz CZVVZFMYPDXAKF-OCCSQVGLSA-N 1 0 306.410 2.331 10 0 DEAERO COC(=O)c1cncc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000178391695 402493114 /nfs/dbraw/zinc/49/31/14/402493114.db2.gz XXYWFOMKNCWLFE-GFCCVEGCSA-N 1 0 305.378 2.071 10 0 DEAERO COC(=O)c1cncc(NC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000178399246 402494054 /nfs/dbraw/zinc/49/40/54/402494054.db2.gz JCEJWTWWJGSEOD-UHFFFAOYSA-N 1 0 313.357 2.182 10 0 DEAERO CC(C)c1nnc(CN2CC[N@H+](C)CC23CCCCC3)n1C ZINC000178404627 402494756 /nfs/dbraw/zinc/49/47/56/402494756.db2.gz AEADPPLWNRGDIJ-UHFFFAOYSA-N 1 0 305.470 2.389 10 0 DEAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@H](C)COC)C1 ZINC000187371508 402496359 /nfs/dbraw/zinc/49/63/59/402496359.db2.gz SWQJXCWOOZLAAC-OLZOCXBDSA-N 1 0 324.387 2.392 10 0 DEAERO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC1CCCC1 ZINC000187446653 402501422 /nfs/dbraw/zinc/50/14/22/402501422.db2.gz PUJUQAVGUOHVGF-CQSZACIVSA-N 1 0 311.470 2.053 10 0 DEAERO Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)c1 ZINC000187973731 402514133 /nfs/dbraw/zinc/51/41/33/402514133.db2.gz MOSFBQCTWZJDMI-LZLYRXPVSA-N 1 0 307.434 2.218 10 0 DEAERO COC[C@@H](C)CNc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000187495623 402502845 /nfs/dbraw/zinc/50/28/45/402502845.db2.gz HDSXFJKFUJWAFB-AWEZNQCLSA-N 1 0 319.449 2.078 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)N2CCc3ccccc32)C1 ZINC000187958555 402514151 /nfs/dbraw/zinc/51/41/51/402514151.db2.gz UYHDTIQKFZNVBK-KSSFIOAISA-N 1 0 302.418 2.059 10 0 DEAERO CCN(C(C)=O)c1nc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)cs1 ZINC000246025732 402504273 /nfs/dbraw/zinc/50/42/73/402504273.db2.gz VMEMNSRNJDIBAZ-UKRRQHHQSA-N 1 0 322.478 2.042 10 0 DEAERO CCCn1nccc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000246035974 402505017 /nfs/dbraw/zinc/50/50/17/402505017.db2.gz OJCBPOFNVMASIU-ZIAGYGMSSA-N 1 0 307.442 2.487 10 0 DEAERO CC[C@]1(CO)CCC[N@H+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000187602991 402506161 /nfs/dbraw/zinc/50/61/61/402506161.db2.gz RGQYUUZINJPGFK-WMZOPIPTSA-N 1 0 307.434 2.219 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000246065465 402506627 /nfs/dbraw/zinc/50/66/27/402506627.db2.gz DQWVQNYQERZOGV-HOCLYGCPSA-N 1 0 310.463 2.346 10 0 DEAERO CC1(C)CC[C@@H](C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)O1 ZINC000187648328 402507280 /nfs/dbraw/zinc/50/72/80/402507280.db2.gz NBQKFJTXIFGQIN-UONOGXRCSA-N 1 0 310.825 2.284 10 0 DEAERO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(C(N)=O)co2)cc1OC ZINC000187707438 402509102 /nfs/dbraw/zinc/50/91/02/402509102.db2.gz AXNXDXPZGRDXNU-LLVKDONJSA-N 1 0 318.373 2.117 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)COc1cccc(C)c1 ZINC000246095662 402509121 /nfs/dbraw/zinc/50/91/21/402509121.db2.gz OEVFMAWUQINYMM-SQNIBIBYSA-N 1 0 318.461 2.293 10 0 DEAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000178837265 402545622 /nfs/dbraw/zinc/54/56/22/402545622.db2.gz LPBYKWGZWYOLID-JKSUJKDBSA-N 1 0 305.418 2.254 10 0 DEAERO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246937320 402550480 /nfs/dbraw/zinc/55/04/80/402550480.db2.gz ZBOXALVKWZXHEP-LALPHHSUSA-N 1 0 322.453 2.423 10 0 DEAERO COC(=O)c1coc(C[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000171037516 402551390 /nfs/dbraw/zinc/55/13/90/402551390.db2.gz RULURUGXUVLOCE-UHFFFAOYSA-N 1 0 303.362 2.179 10 0 DEAERO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@H](O)COC(C)(C)C ZINC000247002481 402552822 /nfs/dbraw/zinc/55/28/22/402552822.db2.gz KVTZXPBPWKCAIG-LHSJRXKWSA-N 1 0 313.463 2.032 10 0 DEAERO COc1cc(OC)cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000246996923 402552905 /nfs/dbraw/zinc/55/29/05/402552905.db2.gz FLFNQZRICADCDK-JSGCOSHPSA-N 1 0 304.390 2.013 10 0 DEAERO C[N@H+](CCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)C1CCCC1 ZINC000247012584 402553702 /nfs/dbraw/zinc/55/37/02/402553702.db2.gz MJBHXWJERFINEI-YJBOKZPZSA-N 1 0 323.481 2.197 10 0 DEAERO COC(=O)N(C)c1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000171081646 402555820 /nfs/dbraw/zinc/55/58/20/402555820.db2.gz PIBRPSPSKFRJKR-CQSZACIVSA-N 1 0 320.393 2.057 10 0 DEAERO COc1ccccc1N1CC[C@H]([NH2+][C@H]2CCN(C)[C@H](C)C2)C1 ZINC000247114348 402557625 /nfs/dbraw/zinc/55/76/25/402557625.db2.gz PILFPXYEBTWCEA-PMPSAXMXSA-N 1 0 303.450 2.346 10 0 DEAERO CC(C)c1ccccc1OC[C@@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000247182129 402559577 /nfs/dbraw/zinc/55/95/77/402559577.db2.gz LAJPAXHLENBZJJ-IRXDYDNUSA-N 1 0 320.477 2.433 10 0 DEAERO O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247256319 402561261 /nfs/dbraw/zinc/56/12/61/402561261.db2.gz QASYMQWHGBQXQM-RWMBFGLXSA-N 1 0 306.356 2.375 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(C)o2)CC[N@@H+]1CCOC ZINC000247260308 402561329 /nfs/dbraw/zinc/56/13/29/402561329.db2.gz YJYWVMUXFUCSPO-HUUCEWRRSA-N 1 0 323.437 2.401 10 0 DEAERO O=C(CCCc1ccccc1)N1CC[NH+](CCCCCO)CC1 ZINC000171147203 402561986 /nfs/dbraw/zinc/56/19/86/402561986.db2.gz XEWHVNYFKKJTIU-UHFFFAOYSA-N 1 0 318.461 2.316 10 0 DEAERO CC[C@H]1CN(C(=O)c2cc(C)c(F)c(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000247268120 402562280 /nfs/dbraw/zinc/56/22/80/402562280.db2.gz KCFKTRABKGSHOW-HOCLYGCPSA-N 1 0 322.424 2.360 10 0 DEAERO CCN(C(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000247322816 402563600 /nfs/dbraw/zinc/56/36/00/402563600.db2.gz OUDNVRFYSNGLPP-WBVHZDCISA-N 1 0 301.434 2.208 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)c1cc(N)nc(Cl)c1)c1ccccc1 ZINC000171184150 402564530 /nfs/dbraw/zinc/56/45/30/402564530.db2.gz AZAXFNSOXYUVFX-CYBMUJFWSA-N 1 0 318.808 2.350 10 0 DEAERO CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1OC)C(N)=O ZINC000189976768 402568380 /nfs/dbraw/zinc/56/83/80/402568380.db2.gz XDLGQMPIZVDASI-KCJUWKMLSA-N 1 0 315.211 2.372 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccc(F)cc1 ZINC000247478261 402569055 /nfs/dbraw/zinc/56/90/55/402569055.db2.gz SKOGKAGMTXKDHD-BBRMVZONSA-N 1 0 305.397 2.323 10 0 DEAERO CC(C)[N@@H+]1C[C@H](NC(=O)N[C@H](C)CCc2cccn2C)[C@@H](C)C1 ZINC000247517328 402570883 /nfs/dbraw/zinc/57/08/83/402570883.db2.gz YVZRYCPOWUKAJB-UXLLHSPISA-N 1 0 320.481 2.374 10 0 DEAERO Cc1cccc(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1C ZINC000247549047 402571743 /nfs/dbraw/zinc/57/17/43/402571743.db2.gz ZDMFCWVEFXXIQA-ZBFHGGJFSA-N 1 0 301.434 2.410 10 0 DEAERO CC[NH+]1CCN(CCC(=O)NCc2ccc(SC)cc2)CC1 ZINC000171271916 402573244 /nfs/dbraw/zinc/57/32/44/402573244.db2.gz BUWQKZYJOLYZST-UHFFFAOYSA-N 1 0 321.490 2.052 10 0 DEAERO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000246181059 402516332 /nfs/dbraw/zinc/51/63/32/402516332.db2.gz RLPOOSGROQRZRC-OAGGEKHMSA-N 1 0 307.482 2.050 10 0 DEAERO CC[C@@]1(C)CN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC000188229048 402517334 /nfs/dbraw/zinc/51/73/34/402517334.db2.gz VVWUQOMZINQQRC-WBVHZDCISA-N 1 0 311.470 2.317 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000246218157 402519226 /nfs/dbraw/zinc/51/92/26/402519226.db2.gz GKJBOGYRKQAQQT-UPJWGTAASA-N 1 0 323.387 2.177 10 0 DEAERO C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCC(C)(C)O2)CCCC1 ZINC000188710493 402524043 /nfs/dbraw/zinc/52/40/43/402524043.db2.gz RQYLJBTUVHGWMA-AWEZNQCLSA-N 1 0 311.470 2.365 10 0 DEAERO C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1N1CCOCC1 ZINC000246308420 402524030 /nfs/dbraw/zinc/52/40/30/402524030.db2.gz CHFDVNBGGVMPGG-JEBQAFNWSA-N 1 0 304.409 2.466 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N[C@@H](C)c2cccc(O)c2)C1 ZINC000246318471 402524570 /nfs/dbraw/zinc/52/45/70/402524570.db2.gz FJFJCLTZCXZVTQ-HEHGZKQESA-N 1 0 305.422 2.481 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ncccc2C)[C@@H](C)C1 ZINC000246318986 402524627 /nfs/dbraw/zinc/52/46/27/402524627.db2.gz CBFVXUMIJPCYOO-GOEBONIOSA-N 1 0 304.438 2.262 10 0 DEAERO C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000170823117 402530000 /nfs/dbraw/zinc/53/00/00/402530000.db2.gz XFANSWLDYDGKMG-XJKSGUPXSA-N 1 0 315.417 2.136 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000247656929 402573908 /nfs/dbraw/zinc/57/39/08/402573908.db2.gz YQTUOXZRDHBDSA-CAOSSQGBSA-N 1 0 311.470 2.221 10 0 DEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)NCCC(C)(C)C ZINC000178748431 402534697 /nfs/dbraw/zinc/53/46/97/402534697.db2.gz XMYZJAKTENGITE-OAHLLOKOSA-N 1 0 306.454 2.208 10 0 DEAERO COC(=O)c1cccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c1 ZINC000189348662 402534761 /nfs/dbraw/zinc/53/47/61/402534761.db2.gz QQKUEEKNYOWCFG-CJNGLKHVSA-N 1 0 307.390 2.209 10 0 DEAERO CN(C)c1nc2sc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2s1 ZINC000170864935 402534973 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ZINC000179212157 402581666 /nfs/dbraw/zinc/58/16/66/402581666.db2.gz RJMSUWQJCQGTHA-UHFFFAOYSA-N 1 0 312.417 2.335 10 0 DEAERO CC(C)n1cc(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cn1 ZINC000179345718 402586476 /nfs/dbraw/zinc/58/64/76/402586476.db2.gz XNMCEQGZHUJNPZ-HNNXBMFYSA-N 1 0 306.454 2.149 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@H](C)CCC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000248448612 402591172 /nfs/dbraw/zinc/59/11/72/402591172.db2.gz HPPJXZSWXKESRO-OWCLPIDISA-N 1 0 313.486 2.298 10 0 DEAERO CC[C@H]1CN(C(=O)[C@@H](C)c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000248460881 402591894 /nfs/dbraw/zinc/59/18/94/402591894.db2.gz TWSYWBKKFHYZCR-ZOBUZTSGSA-N 1 0 304.434 2.094 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H](O)C(F)(F)F)C1 ZINC000248573817 402597021 /nfs/dbraw/zinc/59/70/21/402597021.db2.gz MTRUNKOIIBPDCE-MGPQQGTHSA-N 1 0 308.388 2.496 10 0 DEAERO C[C@H](CC1CCCCC1)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248598890 402598165 /nfs/dbraw/zinc/59/81/65/402598165.db2.gz IRNVBURRGGOSAC-UKRRQHHQSA-N 1 0 302.484 2.216 10 0 DEAERO CCCc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n(C)n1 ZINC000179691991 402598370 /nfs/dbraw/zinc/59/83/70/402598370.db2.gz OJSHLYNDKYMYOH-OAHLLOKOSA-N 1 0 319.453 2.465 10 0 DEAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000248640394 402600381 /nfs/dbraw/zinc/60/03/81/402600381.db2.gz BZZNONVLNOCKJY-GOEBONIOSA-N 1 0 311.495 2.366 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000171609417 402600704 /nfs/dbraw/zinc/60/07/04/402600704.db2.gz OECKWKNTEGTOHA-ZWKOTPCHSA-N 1 0 324.424 2.279 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000171617639 402602118 /nfs/dbraw/zinc/60/21/18/402602118.db2.gz QXSHUOIVNDBKGX-DYVFJYSZSA-N 1 0 314.433 2.079 10 0 DEAERO COC(=O)C1CCC(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000179947122 402604113 /nfs/dbraw/zinc/60/41/13/402604113.db2.gz QMYAVVXZDSLJOE-QQFBHYJXSA-N 1 0 324.465 2.347 10 0 DEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCCO[C@@H]2C)o1 ZINC000190478406 402604212 /nfs/dbraw/zinc/60/42/12/402604212.db2.gz JMGZKLQXVPJGRQ-GDBMZVCRSA-N 1 0 308.422 2.293 10 0 DEAERO COC(=O)C1CCC(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000179947136 402604346 /nfs/dbraw/zinc/60/43/46/402604346.db2.gz QMYAVVXZDSLJOE-FHERZECASA-N 1 0 324.465 2.347 10 0 DEAERO Clc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c2c(c1)COCO2 ZINC000171642097 402604963 /nfs/dbraw/zinc/60/49/63/402604963.db2.gz YDMCGTZDIXZFGN-OAHLLOKOSA-N 1 0 308.809 2.487 10 0 DEAERO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+]CCn1cccn1 ZINC000171645191 402605039 /nfs/dbraw/zinc/60/50/39/402605039.db2.gz JOZIRZNCOHSUQG-INIZCTEOSA-N 1 0 314.433 2.298 10 0 DEAERO Cc1cccc(NC[C@H]2CCN(CC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000171648444 402605606 /nfs/dbraw/zinc/60/56/06/402605606.db2.gz QOPWRIAIBNAPBL-CQSZACIVSA-N 1 0 305.422 2.466 10 0 DEAERO C[C@H]1CN(C2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)CCO1 ZINC000171647845 402605755 /nfs/dbraw/zinc/60/57/55/402605755.db2.gz IALSCYWQBDDHBA-LPHOPBHVSA-N 1 0 318.461 2.079 10 0 DEAERO CC(C)Cc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc(=O)[nH]1 ZINC000180192285 402609511 /nfs/dbraw/zinc/60/95/11/402609511.db2.gz YDAGCADLTCDJJK-UHFFFAOYSA-N 1 0 317.433 2.296 10 0 DEAERO CCc1nn(C)cc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000180184404 402609632 /nfs/dbraw/zinc/60/96/32/402609632.db2.gz FGULIZREJIZRBM-AWEZNQCLSA-N 1 0 304.438 2.073 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000248832707 402609961 /nfs/dbraw/zinc/60/99/61/402609961.db2.gz BWJYEEZXDASKLC-RBSFLKMASA-N 1 0 306.406 2.205 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC000248902452 402613833 /nfs/dbraw/zinc/61/38/33/402613833.db2.gz ALBAFEUZLKRDGI-VYDXJSESSA-N 1 0 310.482 2.364 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn2ccnc2s1 ZINC000248966084 402616159 /nfs/dbraw/zinc/61/61/59/402616159.db2.gz RUVIWAGEEJMPAH-NEPJUHHUSA-N 1 0 304.419 2.095 10 0 DEAERO O=C(c1ccc2nccn2c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171744441 402617445 /nfs/dbraw/zinc/61/74/45/402617445.db2.gz PMIRATQAXDQSMB-UHFFFAOYSA-N 1 0 312.417 2.282 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccncc1OC ZINC000249093889 402620107 /nfs/dbraw/zinc/62/01/07/402620107.db2.gz DZGPLDBXLYHNLA-CHWSQXEVSA-N 1 0 308.426 2.181 10 0 DEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc3c(c1)OCO3)CC2 ZINC000180631070 402621897 /nfs/dbraw/zinc/62/18/97/402621897.db2.gz HHTZGNZWDLINLF-AAEUAGOBSA-N 1 0 314.389 2.235 10 0 DEAERO COC(=O)c1ccc(C)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171807248 402624019 /nfs/dbraw/zinc/62/40/19/402624019.db2.gz XSVJSLQHBOBGMH-CQSZACIVSA-N 1 0 317.389 2.094 10 0 DEAERO C[C@@H](CNC(=O)NCCCc1ccccn1)[N@@H+]1CCC[C@H](C)C1 ZINC000179170806 402577526 /nfs/dbraw/zinc/57/75/26/402577526.db2.gz WPMAWNCQMFSXBS-HOTGVXAUSA-N 1 0 318.465 2.434 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000180957244 402631030 /nfs/dbraw/zinc/63/10/30/402631030.db2.gz OXHPUERYYNTOPU-DGCLKSJQSA-N 1 0 313.467 2.174 10 0 DEAERO Cc1cccc(OC[C@@H](C)NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171903842 402632417 /nfs/dbraw/zinc/63/24/17/402632417.db2.gz WBNJXAGGYPYCOP-HZPDHXFCSA-N 1 0 317.433 2.252 10 0 DEAERO CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249581992 402635354 /nfs/dbraw/zinc/63/53/54/402635354.db2.gz RLWONCAAJOFAEV-QEJZJMRPSA-N 1 0 310.463 2.013 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccn(C(C)C)n2)C[C@@H]1CC ZINC000172014256 402637313 /nfs/dbraw/zinc/63/73/13/402637313.db2.gz MOICTMMAPAQZDU-KRWDZBQOSA-N 1 0 308.470 2.397 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(CCC(C)C)C1CC1 ZINC000171908311 402633298 /nfs/dbraw/zinc/63/32/98/402633298.db2.gz PYTWMVNZNOKXLZ-MRXNPFEDSA-N 1 0 311.470 2.317 10 0 DEAERO CO[C@@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC[C@H]1C ZINC000191039963 402637880 /nfs/dbraw/zinc/63/78/80/402637880.db2.gz NMLISGCOIIDAFB-HUUCEWRRSA-N 1 0 311.470 2.175 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(CC(C)C)c1 ZINC000181221705 402638534 /nfs/dbraw/zinc/63/85/34/402638534.db2.gz VLCXMMUVULAJML-HZPDHXFCSA-N 1 0 304.438 2.238 10 0 DEAERO C[C@H]1OCCC[C@@H]1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000191139617 402644722 /nfs/dbraw/zinc/64/47/22/402644722.db2.gz CPUVRFPMZRENCQ-PBHICJAKSA-N 1 0 320.433 2.058 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ncc(Br)cn1 ZINC000252662405 402660291 /nfs/dbraw/zinc/66/02/91/402660291.db2.gz YPNJLVNWJJUXOG-PWSUYJOCSA-N 1 0 311.227 2.302 10 0 DEAERO Cc1nccn1CCCN(C)Cc1nnc(C2CCC2)n1C ZINC000181512101 402647781 /nfs/dbraw/zinc/64/77/81/402647781.db2.gz QLZIHKUQYWAPOQ-UHFFFAOYSA-N 1 0 302.426 2.110 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC[C@H]1C ZINC000251870219 402650818 /nfs/dbraw/zinc/65/08/18/402650818.db2.gz OYFCURJPPBPYRJ-BZUAXINKSA-N 1 0 311.470 2.031 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@H](O)COc2cc(C)ccc2C)CC[C@H]1C ZINC000252002645 402652306 /nfs/dbraw/zinc/65/23/06/402652306.db2.gz WSRRTAPQAGLSRK-SOLBZPMBSA-N 1 0 307.434 2.400 10 0 DEAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)NCc1cccc(Cl)c1 ZINC000191256214 402655235 /nfs/dbraw/zinc/65/52/35/402655235.db2.gz LOEUDWUXDLRFPY-RYUDHWBXSA-N 1 0 310.825 2.190 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3nc(COC)nc32)C12CCC2 ZINC000181903541 402660312 /nfs/dbraw/zinc/66/03/12/402660312.db2.gz ICVBORZRCJEDEN-HZSPNIEDSA-N 1 0 320.437 2.197 10 0 DEAERO COC(=O)CNC(=O)CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000182609097 402703524 /nfs/dbraw/zinc/70/35/24/402703524.db2.gz KIXQFDZEQRUORT-CYBMUJFWSA-N 1 0 320.433 2.314 10 0 DEAERO c1cc([C@H]2CCC[N@H+]2CCCN2CCOCC2)cc2c1OCO2 ZINC000173642024 402706369 /nfs/dbraw/zinc/70/63/69/402706369.db2.gz NRJZCYIHNGULKJ-MRXNPFEDSA-N 1 0 318.417 2.275 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc2c(c1)sc(=O)n2C ZINC000262012368 402721236 /nfs/dbraw/zinc/72/12/36/402721236.db2.gz MJRWKRYCOGVLCE-WCQYABFASA-N 1 0 305.447 2.302 10 0 DEAERO C[C@@H](CCNC(=O)N1C[C@H]2CCC[C@@H](C1)C2O)[NH+]1CCCCC1 ZINC000182716566 402711245 /nfs/dbraw/zinc/71/12/45/402711245.db2.gz IRLHLLBLYPNJCK-PMRDEQMMSA-N 1 0 323.481 2.053 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(N(C)CCOC)nc1 ZINC000191346150 402662474 /nfs/dbraw/zinc/66/24/74/402662474.db2.gz QIBVTGANNZBOBH-KRWDZBQOSA-N 1 0 320.481 2.080 10 0 DEAERO Cc1c([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)cnn1C(C)(C)C ZINC000191344660 402662766 /nfs/dbraw/zinc/66/27/66/402662766.db2.gz CBBDVMLUNLYIIY-DYVFJYSZSA-N 1 0 309.454 2.386 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc2ccccc2c1O ZINC000253542899 402668091 /nfs/dbraw/zinc/66/80/91/402668091.db2.gz GDKDRHVUAAQSRU-OLZOCXBDSA-N 1 0 311.385 2.249 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182185164 402670356 /nfs/dbraw/zinc/67/03/56/402670356.db2.gz WHCQZMLAAAMUMI-HNNXBMFYSA-N 1 0 307.442 2.378 10 0 DEAERO CC[C@@H]1CN(CCC(=O)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000182234930 402674825 /nfs/dbraw/zinc/67/48/25/402674825.db2.gz UTRLALUUZAYFJC-NVXWUHKLSA-N 1 0 304.434 2.036 10 0 DEAERO Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc(-c2ccncc2)n1 ZINC000172773115 402674913 /nfs/dbraw/zinc/67/49/13/402674913.db2.gz HYWFUUKURYUNCE-MRXNPFEDSA-N 1 0 307.401 2.298 10 0 DEAERO c1ccc(Cc2noc(CN3CC[N@@H+]4CCCC[C@@H]4C3)n2)cc1 ZINC000172803119 402676761 /nfs/dbraw/zinc/67/67/61/402676761.db2.gz UMLHOXAVFPASDS-MRXNPFEDSA-N 1 0 312.417 2.331 10 0 DEAERO CCCCc1nc(CN2CC[C@H](N3CCOCC3)C2)cs1 ZINC000173931701 402720171 /nfs/dbraw/zinc/72/01/71/402720171.db2.gz YKHWATMWIRSRRU-HNNXBMFYSA-N 1 0 309.479 2.392 10 0 DEAERO O=C([C@@H]1SCCc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173402942 402696024 /nfs/dbraw/zinc/69/60/24/402696024.db2.gz XWWCJCQHJKKSLF-GDBMZVCRSA-N 1 0 302.443 2.324 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000255894218 402698198 /nfs/dbraw/zinc/69/81/98/402698198.db2.gz CFUWULLDTQJUBI-SOIVGHGOSA-N 1 0 316.401 2.371 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ccnc(Cl)c1 ZINC000255912229 402699284 /nfs/dbraw/zinc/69/92/84/402699284.db2.gz NUBCVKVQYMNVME-YKEDUJKTSA-N 1 0 305.809 2.443 10 0 DEAERO CC[N@@H+]1CC2(C[C@@H]1c1nnc(C)o1)CCN(C(=O)C(C)C)CC2 ZINC000257193099 402701759 /nfs/dbraw/zinc/70/17/59/402701759.db2.gz XAGIIPWZFIDBNX-CQSZACIVSA-N 1 0 320.437 2.410 10 0 DEAERO Cc1cccc([C@H](C[NH2+]Cc2cocn2)N2CCOCC2)c1 ZINC000192285527 402720966 /nfs/dbraw/zinc/72/09/66/402720966.db2.gz MKYHUUBGOPOBHI-KRWDZBQOSA-N 1 0 301.390 2.146 10 0 DEAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)on1 ZINC000192504310 402733628 /nfs/dbraw/zinc/73/36/28/402733628.db2.gz IKSNUVCHZGIQSN-NSHDSACASA-N 1 0 317.345 2.044 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2Cc3ccccc32)CC[N@@H+]1C ZINC000174246180 402733870 /nfs/dbraw/zinc/73/38/70/402733870.db2.gz OIIFNZYIOPEEDZ-VNQPRFMTSA-N 1 0 301.434 2.450 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2Cc3ccccc32)CC[N@@H+]1C ZINC000174246207 402733968 /nfs/dbraw/zinc/73/39/68/402733968.db2.gz OIIFNZYIOPEEDZ-KBMXLJTQSA-N 1 0 301.434 2.450 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000183094053 402738086 /nfs/dbraw/zinc/73/80/86/402738086.db2.gz GDOQQRRRTYCPKU-MQIPJXDCSA-N 1 0 304.390 2.373 10 0 DEAERO C[C@H]1COCC[C@@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000192581280 402738270 /nfs/dbraw/zinc/73/82/70/402738270.db2.gz JSUAXYQBTQOBRO-WFASDCNBSA-N 1 0 308.397 2.176 10 0 DEAERO COCc1csc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000174373244 402738621 /nfs/dbraw/zinc/73/86/21/402738621.db2.gz HREWHNSNUOWCGE-ZDUSSCGKSA-N 1 0 324.450 2.382 10 0 DEAERO COCc1csc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)n1 ZINC000174398329 402739581 /nfs/dbraw/zinc/73/95/81/402739581.db2.gz DYQQMSPZFKMGAW-LLVKDONJSA-N 1 0 312.439 2.285 10 0 DEAERO COCc1csc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000174403504 402739644 /nfs/dbraw/zinc/73/96/44/402739644.db2.gz LFMPKHQATCCMSF-NSHDSACASA-N 1 0 312.439 2.285 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1nccn1C ZINC000183114399 402740024 /nfs/dbraw/zinc/74/00/24/402740024.db2.gz YJGZFCRGRSKLGC-NWDGAFQWSA-N 1 0 305.813 2.398 10 0 DEAERO C[C@@H](CCNC(=O)[C@H]1CCCc2n[nH]cc21)[NH+]1CCCCC1 ZINC000183117999 402740662 /nfs/dbraw/zinc/74/06/62/402740662.db2.gz LYHBBHIGPYAJBT-KBPBESRZSA-N 1 0 304.438 2.210 10 0 DEAERO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccnn1C ZINC000192694646 402744362 /nfs/dbraw/zinc/74/43/62/402744362.db2.gz ZKINIDKMDUJKMB-HNNXBMFYSA-N 1 0 314.433 2.103 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183189630 402745433 /nfs/dbraw/zinc/74/54/33/402745433.db2.gz XHSYFUJWTXUWHP-GUTXKFCHSA-N 1 0 306.406 2.030 10 0 DEAERO CC[C@@H]1CN(C(=O)c2cccc3c2CCC3)CC[N@@H+]1C[C@@H](C)O ZINC000174608655 402748318 /nfs/dbraw/zinc/74/83/18/402748318.db2.gz PSKQTKVKYNVNNN-GDBMZVCRSA-N 1 0 316.445 2.093 10 0 DEAERO COC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000174625941 402748950 /nfs/dbraw/zinc/74/89/50/402748950.db2.gz RWWDWHAGMJHUIG-IAGOWNOFSA-N 1 0 315.417 2.030 10 0 DEAERO CC(C)CCC[C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192804495 402751077 /nfs/dbraw/zinc/75/10/77/402751077.db2.gz DMDZTLXABQCDJI-JKSUJKDBSA-N 1 0 313.486 2.347 10 0 DEAERO C[C@@H](Oc1ccccc1Cl)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263257052 402751201 /nfs/dbraw/zinc/75/12/01/402751201.db2.gz QOZIDOCOGHEQOV-PWSUYJOCSA-N 1 0 322.796 2.439 10 0 DEAERO COCCOc1cccc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000263260560 402751678 /nfs/dbraw/zinc/75/16/78/402751678.db2.gz QWAYXSDGKOLVHT-AEFFLSMTSA-N 1 0 320.433 2.236 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2Cc3ccccc3S2)n1 ZINC000263269683 402752780 /nfs/dbraw/zinc/75/27/80/402752780.db2.gz SARWOIBWJNQOAP-YPMHNXCESA-N 1 0 302.403 2.035 10 0 DEAERO C[C@H](Cc1cccc(F)c1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263283221 402754147 /nfs/dbraw/zinc/75/41/47/402754147.db2.gz UPNFPPNUTDZQHV-BXUZGUMPSA-N 1 0 304.369 2.131 10 0 DEAERO CCCN(C)c1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263299237 402755884 /nfs/dbraw/zinc/75/58/84/402755884.db2.gz WWODNMNOTVBRMV-HNNXBMFYSA-N 1 0 315.421 2.159 10 0 DEAERO Cc1noc(C)c1[C@@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC000183614581 402781696 /nfs/dbraw/zinc/78/16/96/402781696.db2.gz PYXYOKVXROXTLG-JTQLQIEISA-N 1 0 302.378 2.286 10 0 DEAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(Oc2cccc(F)c2)cc1 ZINC000263306808 402756845 /nfs/dbraw/zinc/75/68/45/402756845.db2.gz XZKDYBWBZSBJHG-KBXCAEBGSA-N 1 0 316.376 2.288 10 0 DEAERO CC(C)OCCCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000183328805 402757119 /nfs/dbraw/zinc/75/71/19/402757119.db2.gz UYZDTBMCRIKQMF-QGZVFWFLSA-N 1 0 306.450 2.481 10 0 DEAERO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccnn2C)C1 ZINC000192952863 402758240 /nfs/dbraw/zinc/75/82/40/402758240.db2.gz BVWNHYRVIXVGBL-UONOGXRCSA-N 1 0 300.406 2.358 10 0 DEAERO CC(C)N1CCC[C@H]([NH2+][C@H](C)c2ccc3c(c2)OCO3)C1=O ZINC000174986851 402769251 /nfs/dbraw/zinc/76/92/51/402769251.db2.gz KKKIYKKKQKWWTD-OCCSQVGLSA-N 1 0 304.390 2.465 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1nccn1C(F)F ZINC000183500521 402772515 /nfs/dbraw/zinc/77/25/15/402772515.db2.gz DJXBOFDHKPOJIB-UHFFFAOYSA-N 1 0 309.320 2.011 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC1CCC(C)CC1 ZINC000175052795 402774751 /nfs/dbraw/zinc/77/47/51/402774751.db2.gz CZIBZFVCGHFKNC-BHUNQDJPSA-N 1 0 307.482 2.240 10 0 DEAERO C[C@@H](NC(=O)c1ncccc1O)c1cccc(-n2ccnc2)c1 ZINC000175053710 402774771 /nfs/dbraw/zinc/77/47/71/402774771.db2.gz PLGIWPLKQGSPLN-GFCCVEGCSA-N 1 0 308.341 2.464 10 0 DEAERO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193847212 402776530 /nfs/dbraw/zinc/77/65/30/402776530.db2.gz MLACEKLCXCNXDH-HOTGVXAUSA-N 1 0 315.417 2.337 10 0 DEAERO C[NH+]1CCN(Cc2ccc(C(=O)NCC3(C)CCC3)cc2)CC1 ZINC000175095548 402778551 /nfs/dbraw/zinc/77/85/51/402778551.db2.gz CFZPOFPIBRHQJS-UHFFFAOYSA-N 1 0 315.461 2.354 10 0 DEAERO CCO[C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC000183585958 402779014 /nfs/dbraw/zinc/77/90/14/402779014.db2.gz MPABVGVKNLFUAQ-GJZGRUSLSA-N 1 0 303.406 2.225 10 0 DEAERO CN(C(=O)c1ccc2c(c1O)CCCC2)[C@@H]1CCC[N@H+](C)C1 ZINC000182862792 402722803 /nfs/dbraw/zinc/72/28/03/402722803.db2.gz RQXOWLCQBSTWHM-CQSZACIVSA-N 1 0 302.418 2.437 10 0 DEAERO CCc1cnc(CCNC(=O)NCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000173991043 402723075 /nfs/dbraw/zinc/72/30/75/402723075.db2.gz NAUMNQDUBOVRSA-CYBMUJFWSA-N 1 0 324.494 2.422 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCc1ccccc1N ZINC000262290715 402724003 /nfs/dbraw/zinc/72/40/03/402724003.db2.gz NDRBDCYJXLFTOZ-GDBMZVCRSA-N 1 0 301.434 2.287 10 0 DEAERO CC(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1 ZINC000175256775 402792153 /nfs/dbraw/zinc/79/21/53/402792153.db2.gz JEQRBDSKFXKPMK-CQSZACIVSA-N 1 0 317.433 2.336 10 0 DEAERO C[C@H]1COCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000194354771 402793533 /nfs/dbraw/zinc/79/35/33/402793533.db2.gz XRXYUFVWDDFEMB-YOEHRIQHSA-N 1 0 322.424 2.389 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000195334046 402842397 /nfs/dbraw/zinc/84/23/97/402842397.db2.gz GPDXHMUNKWLWLR-QGZVFWFLSA-N 1 0 310.401 2.101 10 0 DEAERO Cc1cc(NC(=O)[C@@H](C)Nc2ccc3c(c2)C[N@@H+](C)C3)on1 ZINC000194516472 402800674 /nfs/dbraw/zinc/80/06/74/402800674.db2.gz VJWPWMALPVZYHH-LLVKDONJSA-N 1 0 300.362 2.368 10 0 DEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCOC[C@H]2C)o1 ZINC000194690606 402810702 /nfs/dbraw/zinc/81/07/02/402810702.db2.gz KARMMOCTBZSEOX-CZUORRHYSA-N 1 0 308.422 2.151 10 0 DEAERO C[C@H](CCNC(=O)NCC1(C)COC1)[N@H+](C)Cc1ccccc1 ZINC000175507503 402813007 /nfs/dbraw/zinc/81/30/07/402813007.db2.gz KPZXDJUTUPBYRK-OAHLLOKOSA-N 1 0 319.449 2.233 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000175524695 402814754 /nfs/dbraw/zinc/81/47/54/402814754.db2.gz VJMVXEWCNGCWLJ-INIZCTEOSA-N 1 0 321.469 2.097 10 0 DEAERO COc1cccc(F)c1[C@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000194814151 402816465 /nfs/dbraw/zinc/81/64/65/402816465.db2.gz FHAUEFXROIDVNQ-VIFPVBQESA-N 1 0 323.393 2.283 10 0 DEAERO C[C@H]1COCC[C@@H]1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000194818202 402817116 /nfs/dbraw/zinc/81/71/16/402817116.db2.gz WCUVZSMNTBZSOF-YOEHRIQHSA-N 1 0 317.433 2.087 10 0 DEAERO [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000184187591 402824668 /nfs/dbraw/zinc/82/46/68/402824668.db2.gz VPSIEGKIPQERKO-INIZCTEOSA-N 1 0 323.396 2.100 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2sccc2C)[C@H](C)C1 ZINC000175720468 402826205 /nfs/dbraw/zinc/82/62/05/402826205.db2.gz XYRLCNFSKKXHKM-CABCVRRESA-N 1 0 323.506 2.335 10 0 DEAERO COC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000175742628 402828407 /nfs/dbraw/zinc/82/84/07/402828407.db2.gz AUHWZAKUUYQNSA-IHRRRGAJSA-N 1 0 309.410 2.091 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(C)c(F)cc1F ZINC000175784439 402832300 /nfs/dbraw/zinc/83/23/00/402832300.db2.gz GEKLZRSVRVQIHW-LLVKDONJSA-N 1 0 320.405 2.282 10 0 DEAERO CC(C)c1nc(C2(NC(=O)C3CC[NH+](C)CC3)CCCC2)no1 ZINC000175804933 402833978 /nfs/dbraw/zinc/83/39/78/402833978.db2.gz YBHJAGLHUZZODQ-UHFFFAOYSA-N 1 0 320.437 2.420 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000175853517 402837765 /nfs/dbraw/zinc/83/77/65/402837765.db2.gz LRDIZFXCIGVRPE-CYBMUJFWSA-N 1 0 307.312 2.462 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000175852177 402838114 /nfs/dbraw/zinc/83/81/14/402838114.db2.gz PCIZEPBEAOYXAD-ZDUSSCGKSA-N 1 0 307.312 2.462 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000184383991 402839333 /nfs/dbraw/zinc/83/93/33/402839333.db2.gz QVNDIPKXBSKFJS-PMPSAXMXSA-N 1 0 311.470 2.460 10 0 DEAERO CC(C)(C)c1ccc(OCC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000195266251 402839970 /nfs/dbraw/zinc/83/99/70/402839970.db2.gz QQUQUKBASSBTOU-OKILXGFUSA-N 1 0 302.418 2.041 10 0 DEAERO CC(C)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccnc1 ZINC000175897830 402840913 /nfs/dbraw/zinc/84/09/13/402840913.db2.gz MYPWHGKTWLTAAT-HZPDHXFCSA-N 1 0 304.438 2.167 10 0 DEAERO Cc1ccc(C(=O)CCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000195317805 402841642 /nfs/dbraw/zinc/84/16/42/402841642.db2.gz OUZGEABMHORCGX-ZDUSSCGKSA-N 1 0 306.431 2.326 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175206906 402787942 /nfs/dbraw/zinc/78/79/42/402787942.db2.gz ZLANQJROUSNXFN-FUHWJXTLSA-N 1 0 315.461 2.122 10 0 DEAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000184490308 402847064 /nfs/dbraw/zinc/84/70/64/402847064.db2.gz BUXJLEMLXRAIKB-KGLIPLIRSA-N 1 0 304.438 2.410 10 0 DEAERO C[C@@H](C(=O)N1CCC[C@@H]1c1cnn(C)c1)[NH+]1CCCCCC1 ZINC000176000466 402847253 /nfs/dbraw/zinc/84/72/53/402847253.db2.gz KHKXUTSPUROVSJ-GOEBONIOSA-N 1 0 304.438 2.348 10 0 DEAERO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503246 402847561 /nfs/dbraw/zinc/84/75/61/402847561.db2.gz UNYVFSCSLOFAIZ-OAHLLOKOSA-N 1 0 318.465 2.247 10 0 DEAERO CN(C)C(=O)c1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000195507054 402848136 /nfs/dbraw/zinc/84/81/36/402848136.db2.gz BGIDXZGHYPEZDT-UHFFFAOYSA-N 1 0 312.417 2.491 10 0 DEAERO Cc1nc(C[C@H]2CCC[N@H+](CCOCC(F)(F)F)C2)no1 ZINC000195518297 402850161 /nfs/dbraw/zinc/85/01/61/402850161.db2.gz XYTPMDFYLCYCOK-LLVKDONJSA-N 1 0 307.316 2.211 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000278404018 402864232 /nfs/dbraw/zinc/86/42/32/402864232.db2.gz GGBPSGZGBKITEO-INIZCTEOSA-N 1 0 319.449 2.375 10 0 DEAERO CC[C@H]1CN(c2ncnc3ccc(C)cc32)CC[N@@H+]1C[C@H](C)O ZINC000266369184 402968983 /nfs/dbraw/zinc/96/89/83/402968983.db2.gz LJRBNSKVMYYSOJ-GJZGRUSLSA-N 1 0 314.433 2.220 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)C12CCOCC2 ZINC000248907167 286282677 /nfs/dbraw/zinc/28/26/77/286282677.db2.gz BIJVSNCSWDEEHT-LKBUQDJMSA-N 1 0 317.495 2.097 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000280823205 403040451 /nfs/dbraw/zinc/04/04/51/403040451.db2.gz UGSDYQQQHOICNJ-STQMWFEESA-N 1 0 307.442 2.490 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3nc(COC)nc32)C1(C)C ZINC000245948207 286293239 /nfs/dbraw/zinc/29/32/39/286293239.db2.gz VZYGMDKYTGTPDH-YNEHKIRRSA-N 1 0 308.426 2.053 10 0 DEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000282043132 403116331 /nfs/dbraw/zinc/11/63/31/403116331.db2.gz AROPHZCZFDFPOX-PELKAZGASA-N 1 0 315.186 2.345 10 0 DEAERO Cn1cncc1[C@@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)CCO1 ZINC000275715347 403118044 /nfs/dbraw/zinc/11/80/44/403118044.db2.gz YQLBOJRWIOCOCZ-PBHICJAKSA-N 1 0 311.389 2.078 10 0 DEAERO Cc1cnc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)nc1C ZINC000284873860 403272832 /nfs/dbraw/zinc/27/28/32/403272832.db2.gz MXCDJQGVGLHJNX-GOEBONIOSA-N 1 0 314.437 2.322 10 0 DEAERO C/C(=C\c1ccccc1)CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000271171147 403273067 /nfs/dbraw/zinc/27/30/67/403273067.db2.gz FGCUTFQPDILLHN-BMRADRMJSA-N 1 0 315.461 2.186 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)c1 ZINC000278046393 403282273 /nfs/dbraw/zinc/28/22/73/403282273.db2.gz XURUPXNGVSGSIL-MKBNYLNASA-N 1 0 304.390 2.231 10 0 DEAERO c1c(CNC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nc2ncccn12 ZINC000298530684 403405965 /nfs/dbraw/zinc/40/59/65/403405965.db2.gz SCWWASUAOLULDW-SFHVURJKSA-N 1 0 321.428 2.484 10 0 DEAERO Cc1nn(C)c2cc(NC(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)ccc12 ZINC000333258760 403708857 /nfs/dbraw/zinc/70/88/57/403708857.db2.gz DOXVSFHNNZRHOS-AAEUAGOBSA-N 1 0 315.421 2.391 10 0 DEAERO Cc1cnc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000333147578 403678034 /nfs/dbraw/zinc/67/80/34/403678034.db2.gz MBAFJZKGYZTZPE-QWHCGFSZSA-N 1 0 324.450 2.202 10 0 DEAERO Cc1nn(C)c2cc(NC(=O)N(C)[C@@H]3CCC[NH2+]CC3)ccc12 ZINC000333252265 403707097 /nfs/dbraw/zinc/70/70/97/403707097.db2.gz CPYDBYUAEYUNFN-CQSZACIVSA-N 1 0 315.421 2.488 10 0 DEAERO Cc1cc(Cl)cnc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000333280139 403714518 /nfs/dbraw/zinc/71/45/18/403714518.db2.gz HMCCRXWVIDVTES-ONGXEEELSA-N 1 0 312.801 2.278 10 0 DEAERO CC[N@H+](C)[C@H]1CCN(c2cc(-c3ccccc3)nc3ncnn32)C1 ZINC000302766876 403723034 /nfs/dbraw/zinc/72/30/34/403723034.db2.gz LRMOVJORITXJCZ-HNNXBMFYSA-N 1 0 322.416 2.322 10 0 DEAERO O=C(Nc1ncc(C(F)(F)F)s1)N[C@H]1CCCC[NH2+]C1 ZINC000333341606 403728557 /nfs/dbraw/zinc/72/85/57/403728557.db2.gz PTVUNZRLDZBORW-ZETCQYMHSA-N 1 0 308.329 2.426 10 0 DEAERO O=C(Nc1ncc(C2CCOCC2)s1)N[C@@H]1CCCC[NH2+]C1 ZINC000333368861 403735670 /nfs/dbraw/zinc/73/56/70/403735670.db2.gz URRZKFXGUPEVMC-GFCCVEGCSA-N 1 0 324.450 2.301 10 0 DEAERO CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)C12CCCC2 ZINC000333418715 403747809 /nfs/dbraw/zinc/74/78/09/403747809.db2.gz SFFDRQWSKNFDDI-RBSFLKMASA-N 1 0 309.454 2.166 10 0 DEAERO CC(=O)[C@@](C)(O)CN(C)Cc1cc(Br)ccc1F ZINC000347728908 403829743 /nfs/dbraw/zinc/82/97/43/403829743.db2.gz BBVPZUXWLCURBU-ZDUSSCGKSA-N 1 0 318.186 2.360 10 0 DEAERO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCc3nnnn3CC2)cc1 ZINC000333546718 403777283 /nfs/dbraw/zinc/77/72/83/403777283.db2.gz ORPBUUSAHKVNDD-PMPSAXMXSA-N 1 0 315.396 2.443 10 0 DEAERO COc1ccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)cc1Br ZINC000343915954 403789836 /nfs/dbraw/zinc/78/98/36/403789836.db2.gz OWZBPGCPDSUNOY-GXFFZTMASA-N 1 0 313.239 2.497 10 0 DEAERO COc1ccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)cc1Br ZINC000343915952 403790297 /nfs/dbraw/zinc/79/02/97/403790297.db2.gz OWZBPGCPDSUNOY-GWCFXTLKSA-N 1 0 313.239 2.497 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000333637681 403800552 /nfs/dbraw/zinc/80/05/52/403800552.db2.gz HQKHJJTUIIUQJK-BPLDGKMQSA-N 1 0 302.422 2.172 10 0 DEAERO O=C(NCCC1=CC[NH2+]CC1)N1CCO[C@H](C2CCCCC2)C1 ZINC000333734423 403837948 /nfs/dbraw/zinc/83/79/48/403837948.db2.gz WRVNMOLGVWNZSD-KRWDZBQOSA-N 1 0 321.465 2.287 10 0 DEAERO C[C@H](CC1CC1)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000305114470 403838513 /nfs/dbraw/zinc/83/85/13/403838513.db2.gz FCXJCYDGDFUCSL-XYPHTWIQSA-N 1 0 323.481 2.242 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000347743571 403839439 /nfs/dbraw/zinc/83/94/39/403839439.db2.gz GGPUXLQULUNSCW-ZDUSSCGKSA-N 1 0 305.296 2.357 10 0 DEAERO CC(=O)c1ncc(C(=O)NCC[N@@H+](C)C2CCCCC2)s1 ZINC000411451219 403861387 /nfs/dbraw/zinc/86/13/87/403861387.db2.gz ZBMZSVWMNAEWKX-UHFFFAOYSA-N 1 0 309.435 2.340 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N[C@@H]1CCCOc2ccccc21 ZINC000333797196 403863587 /nfs/dbraw/zinc/86/35/87/403863587.db2.gz NLHPTMVXQWLREO-UKRRQHHQSA-N 1 0 303.406 2.342 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC(c2ccncc2)CC1 ZINC000333833931 403877377 /nfs/dbraw/zinc/87/73/77/403877377.db2.gz MZVNUDIVBCYRJO-MRXNPFEDSA-N 1 0 302.422 2.113 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000361807929 403877306 /nfs/dbraw/zinc/87/73/06/403877306.db2.gz LLZNNJMUKCQLQX-HOTGVXAUSA-N 1 0 324.465 2.441 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H]3CCc4ccccc4C3)C[C@@H]21 ZINC000333860329 403887626 /nfs/dbraw/zinc/88/76/26/403887626.db2.gz ZEBGQFSWCXCLFG-VSZNYVQBSA-N 1 0 313.445 2.313 10 0 DEAERO O=C(N[C@H]1CCCc2occc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000333945883 403903511 /nfs/dbraw/zinc/90/35/11/403903511.db2.gz UCIPNPQBYVAEBA-AWEZNQCLSA-N 1 0 303.406 2.442 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CN(C(C)C)C[C@H]2C)C12CCOCC2 ZINC000248908003 286399507 /nfs/dbraw/zinc/39/95/07/286399507.db2.gz BLVFFQZHDYYOHI-WCXIOVBPSA-N 1 0 310.482 2.279 10 0 DEAERO [NH3+]CCCOC1CCN(c2cncc(Br)c2)CC1 ZINC000306019446 403950988 /nfs/dbraw/zinc/95/09/88/403950988.db2.gz YDAWPGSDOGDUBA-UHFFFAOYSA-N 1 0 314.227 2.178 10 0 DEAERO CO[C@H]1C[C@@H](CO)N(Cc2ccc(C)c(Br)c2)C1 ZINC000313588523 403987268 /nfs/dbraw/zinc/98/72/68/403987268.db2.gz OSSKPCDVZQJQFG-STQMWFEESA-N 1 0 314.223 2.339 10 0 DEAERO C[C@@H]1CN(C[C@@H](O)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000323892143 404097087 /nfs/dbraw/zinc/09/70/87/404097087.db2.gz GALHLXGFMIILOJ-DZGCQCFKSA-N 1 0 316.367 2.364 10 0 DEAERO COc1cncc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000290134217 404056228 /nfs/dbraw/zinc/05/62/28/404056228.db2.gz ZPLVEZDZQSSRCV-CQSZACIVSA-N 1 0 313.405 2.396 10 0 DEAERO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1ccsc1 ZINC000328637839 404121983 /nfs/dbraw/zinc/12/19/83/404121983.db2.gz OWMFOTRBLWQOKB-ZFWWWQNUSA-N 1 0 308.426 2.184 10 0 DEAERO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC12CCC2 ZINC000329157352 404248130 /nfs/dbraw/zinc/24/81/30/404248130.db2.gz WFSBXTRYFVUDGS-KBPBESRZSA-N 1 0 307.438 2.272 10 0 DEAERO c1ncn(Cc2ccccc2C[NH2+]Cc2ccc3c[nH]nc3c2)n1 ZINC000337818205 404259651 /nfs/dbraw/zinc/25/96/51/404259651.db2.gz PVTDREUOZKRFGD-UHFFFAOYSA-N 1 0 318.384 2.493 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000363855854 404226491 /nfs/dbraw/zinc/22/64/91/404226491.db2.gz NVWINARMNMXVBW-MRXNPFEDSA-N 1 0 316.449 2.365 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000363855850 404226745 /nfs/dbraw/zinc/22/67/45/404226745.db2.gz NVWINARMNMXVBW-INIZCTEOSA-N 1 0 316.449 2.365 10 0 DEAERO Cc1nc([C@H]2CCCN2C(=O)[C@@H](C)[NH+]2CCCCCC2)no1 ZINC000329416633 404331376 /nfs/dbraw/zinc/33/13/76/404331376.db2.gz ZGRDBTCWEVIDKQ-TZMCWYRMSA-N 1 0 306.410 2.306 10 0 DEAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)nn1 ZINC000329509978 404362075 /nfs/dbraw/zinc/36/20/75/404362075.db2.gz JVJUSDKWYLQUSO-YYIAUSFCSA-N 1 0 322.453 2.169 10 0 DEAERO O=C(c1coc(Br)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364052439 404298516 /nfs/dbraw/zinc/29/85/16/404298516.db2.gz CJOGNMVCQKUKQP-LLVKDONJSA-N 1 0 313.195 2.352 10 0 DEAERO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCCO)CC1 ZINC000370242509 404380027 /nfs/dbraw/zinc/38/00/27/404380027.db2.gz SBUZFEAIJSBKDU-OAHLLOKOSA-N 1 0 319.449 2.236 10 0 DEAERO Cc1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)ccn1 ZINC000329647973 404407971 /nfs/dbraw/zinc/40/79/71/404407971.db2.gz BLSSRXINAXVPTQ-XJKSGUPXSA-N 1 0 300.362 2.366 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000371139389 404446039 /nfs/dbraw/zinc/44/60/39/404446039.db2.gz LCKIQWOQHXRCFB-ZDUSSCGKSA-N 1 0 306.410 2.181 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2CCCC[C@@H]2C)CC(=O)N1C ZINC000330182270 404575867 /nfs/dbraw/zinc/57/58/67/404575867.db2.gz HEGRQISAUVGIDO-NVJLRMAKSA-N 1 0 318.465 2.477 10 0 DEAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCO[C@@H]1c1cccnc1 ZINC000356758337 404682619 /nfs/dbraw/zinc/68/26/19/404682619.db2.gz BRFFPYSAFVCYGH-FVQBIDKESA-N 1 0 305.422 2.004 10 0 DEAERO OC[C@@]1([NH2+]CCOc2ccc(F)cc2)CCOc2ccccc21 ZINC000374136139 404696095 /nfs/dbraw/zinc/69/60/95/404696095.db2.gz JQLHJPFLGTZBKE-SFHVURJKSA-N 1 0 317.360 2.464 10 0 DEAERO C[C@@H](NCc1ncc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000414855439 404749145 /nfs/dbraw/zinc/74/91/45/404749145.db2.gz NEQRTXPWDVCMDD-RKDXNWHRSA-N 1 0 304.257 2.383 10 0 DEAERO CC1(C)CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000366138751 404763066 /nfs/dbraw/zinc/76/30/66/404763066.db2.gz QYUKYKJZHRUYOB-BZUAXINKSA-N 1 0 308.466 2.260 10 0 DEAERO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CCO1 ZINC000374687445 404710695 /nfs/dbraw/zinc/71/06/95/404710695.db2.gz OBPYUPAJNFDSPU-VVLHAWIVSA-N 1 0 311.466 2.347 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NCC2([NH3+])CCCCC2)c1 ZINC000415269140 404837002 /nfs/dbraw/zinc/83/70/02/404837002.db2.gz OMMWIYLFGQQRMK-UHFFFAOYSA-N 1 0 318.421 2.452 10 0 DEAERO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cccc(F)c2)CC12COC2 ZINC000451140294 404877539 /nfs/dbraw/zinc/87/75/39/404877539.db2.gz TYTWANYZECUOLW-SWLSCSKDSA-N 1 0 307.365 2.398 10 0 DEAERO CCc1noc([C@]2(O)CC[N@H+](Cc3ccc4occc4c3)C2)n1 ZINC000377836097 404847267 /nfs/dbraw/zinc/84/72/67/404847267.db2.gz YVOISFWCLDEXRY-KRWDZBQOSA-N 1 0 313.357 2.472 10 0 DEAERO COCCOC[C@@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435135386 404959458 /nfs/dbraw/zinc/95/94/58/404959458.db2.gz PBQMCAFEZAPGHZ-CYBMUJFWSA-N 1 0 305.378 2.155 10 0 DEAERO C/C(=C/c1ccccc1)CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353970739 404977994 /nfs/dbraw/zinc/97/79/94/404977994.db2.gz FGCUTFQPDILLHN-ICFOKQHNSA-N 1 0 315.461 2.186 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2c(F)cccc2Br)C1 ZINC000389945343 405043361 /nfs/dbraw/zinc/04/33/61/405043361.db2.gz CSGVRSLHQNFTQB-SECBINFHSA-N 1 0 315.186 2.412 10 0 DEAERO O=C1CC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)CCN1 ZINC000396690633 405059011 /nfs/dbraw/zinc/05/90/11/405059011.db2.gz TVUYMGWFHIASOJ-GFCCVEGCSA-N 1 0 315.186 2.347 10 0 DEAERO CC(C)NC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404162386 405068487 /nfs/dbraw/zinc/06/84/87/405068487.db2.gz YXMHIVQBHZMZDQ-DLBZAZTESA-N 1 0 317.433 2.080 10 0 DEAERO Cc1cc(=O)[nH]c(C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000408025053 405091443 /nfs/dbraw/zinc/09/14/43/405091443.db2.gz NGKDOVIWRCUFNN-JSGCOSHPSA-N 1 0 300.362 2.015 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367683788 405124607 /nfs/dbraw/zinc/12/46/07/405124607.db2.gz DQLSNXAAYSMPQF-LXFSFDBISA-N 1 0 310.438 2.162 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2ncoc2[C@@H]2CCCO2)CC1 ZINC000408276232 405160195 /nfs/dbraw/zinc/16/01/95/405160195.db2.gz HJNYVQJNWFUFDQ-STQMWFEESA-N 1 0 307.394 2.082 10 0 DEAERO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000453093120 405283577 /nfs/dbraw/zinc/28/35/77/405283577.db2.gz SOJMFSWAEHZGPK-HNNXBMFYSA-N 1 0 307.401 2.442 10 0 DEAERO COC1([C@@H](C)[NH2+]CCOc2ccc(Cl)cn2)CCOCC1 ZINC000453143851 405286179 /nfs/dbraw/zinc/28/61/79/405286179.db2.gz JOIVUMJOFSVFSG-GFCCVEGCSA-N 1 0 314.813 2.288 10 0 DEAERO CCNC(=O)N1CC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000453150874 405287011 /nfs/dbraw/zinc/28/70/11/405287011.db2.gz SZOVBJMJJYLKEC-KRWDZBQOSA-N 1 0 301.434 2.327 10 0 DEAERO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)C1(OC)CCOCC1)C2 ZINC000453167416 405287863 /nfs/dbraw/zinc/28/78/63/405287863.db2.gz RKLWTKCHUHFVIK-UKRRQHHQSA-N 1 0 321.417 2.172 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CC)COCC(F)(F)F ZINC000452745960 405237217 /nfs/dbraw/zinc/23/72/17/405237217.db2.gz ONWHFAUWROCZHQ-NWDGAFQWSA-N 1 0 310.360 2.335 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1csc([C@@H](C)OC)n1 ZINC000438411464 405245991 /nfs/dbraw/zinc/24/59/91/405245991.db2.gz YRFZMHMISQHANB-YPMHNXCESA-N 1 0 311.451 2.341 10 0 DEAERO COC1([C@@H](C)[NH2+][C@H](CO)Cc2cccc(C)c2)CCOCC1 ZINC000453208216 405289279 /nfs/dbraw/zinc/28/92/79/405289279.db2.gz BLCIVLUKORRAED-WBVHZDCISA-N 1 0 307.434 2.072 10 0 DEAERO CCO[C@@H]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@H]1C ZINC000454893293 405377738 /nfs/dbraw/zinc/37/77/38/405377738.db2.gz ZNJINNNCPLKCPU-RDHHWEPZSA-N 1 0 323.481 2.460 10 0 DEAERO Cc1nn(C)cc1CC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000448715750 405440546 /nfs/dbraw/zinc/44/05/46/405440546.db2.gz SMAXALGRTPOHAQ-HUUCEWRRSA-N 1 0 320.481 2.145 10 0 DEAERO Cc1nn(C)cc1CC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000448825332 405452725 /nfs/dbraw/zinc/45/27/25/405452725.db2.gz VOJFQLFPKAYQBL-VBQJREDUSA-N 1 0 318.465 2.135 10 0 DEAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cn(C)nc2C)C1 ZINC000448955842 405472664 /nfs/dbraw/zinc/47/26/64/405472664.db2.gz MZNSUWPMCLABAA-HNNXBMFYSA-N 1 0 320.481 2.288 10 0 DEAERO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCN2CCCO)cc1 ZINC000449389808 405539691 /nfs/dbraw/zinc/53/96/91/405539691.db2.gz UCOVVYKTVAAZGR-WBVHZDCISA-N 1 0 306.450 2.063 10 0 DEAERO c1nnn(Cc2ccccc2)c1CN1CCOC[C@H]1C1CCC1 ZINC000578013955 405555100 /nfs/dbraw/zinc/55/51/00/405555100.db2.gz QLJLTYDFGYGFPL-SFHVURJKSA-N 1 0 312.417 2.327 10 0 DEAERO CCc1noc(C)c1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000458815345 405604850 /nfs/dbraw/zinc/60/48/50/405604850.db2.gz HZTSISOONMAYFF-LBPRGKRZSA-N 1 0 322.453 2.417 10 0 DEAERO CSc1ccc(Cl)c(C(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000638637239 405587086 /nfs/dbraw/zinc/58/70/86/405587086.db2.gz PNRDVBVTYNUGNK-UHFFFAOYSA-N 1 0 314.838 2.300 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638643180 405589758 /nfs/dbraw/zinc/58/97/58/405589758.db2.gz IGVJPMYYTIBFOJ-CBAPKCEASA-N 1 0 301.184 2.221 10 0 DEAERO [NH3+]CCCOCCNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000638656446 405599953 /nfs/dbraw/zinc/59/99/53/405599953.db2.gz QRMICWLKVJWKLT-UHFFFAOYSA-N 1 0 309.168 2.228 10 0 DEAERO CCN(CC[NH+]1CCCCCC1)C(=O)c1cn2cccnc2n1 ZINC000558028412 405640163 /nfs/dbraw/zinc/64/01/63/405640163.db2.gz GYJUOZRWJBZQEL-UHFFFAOYSA-N 1 0 315.421 2.067 10 0 DEAERO CC(=O)NCC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000580609995 405653196 /nfs/dbraw/zinc/65/31/96/405653196.db2.gz DAHRVGQYPMYVSW-UHFFFAOYSA-N 1 0 304.312 2.152 10 0 DEAERO [NH3+]Cc1ccc2c(c1)N(C(=O)COCc1ccccc1)CCO2 ZINC000638802562 405677890 /nfs/dbraw/zinc/67/78/90/405677890.db2.gz SRVFWUFSPOZKHS-UHFFFAOYSA-N 1 0 312.369 2.088 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c1 ZINC000636085890 405726917 /nfs/dbraw/zinc/72/69/17/405726917.db2.gz FPYJTKVRCNIHEW-HOTGVXAUSA-N 1 0 318.417 2.113 10 0 DEAERO CCC(C)(C)CCNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638867012 405728548 /nfs/dbraw/zinc/72/85/48/405728548.db2.gz WSEQLTQTEAWIQF-MRXNPFEDSA-N 1 0 305.466 2.388 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC(C)(C)C[NH+](C)C)CC2 ZINC000457207157 405752085 /nfs/dbraw/zinc/75/20/85/405752085.db2.gz BBAITZMOFDGEHM-LBPRGKRZSA-N 1 0 306.454 2.094 10 0 DEAERO CC(=O)c1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)ccc1OC(C)C ZINC000638906344 405752394 /nfs/dbraw/zinc/75/23/94/405752394.db2.gz XCEKLBGFARFRSE-IUODEOHRSA-N 1 0 318.417 2.343 10 0 DEAERO CO[C@@H](C)[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000584086341 405820347 /nfs/dbraw/zinc/82/03/47/405820347.db2.gz FIEQKSAUIHBIPU-HLLBOEOZSA-N 1 0 319.449 2.374 10 0 DEAERO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2nccn2C)cc1 ZINC000583615602 405773825 /nfs/dbraw/zinc/77/38/25/405773825.db2.gz OAWZJPXGRWBZTQ-FUHWJXTLSA-N 1 0 315.417 2.301 10 0 DEAERO COc1nsc(C[NH2+]CC2(CO)CCC2)c1Br ZINC000639038170 405833953 /nfs/dbraw/zinc/83/39/53/405833953.db2.gz QTSJQBJDBSPTGA-UHFFFAOYSA-N 1 0 321.240 2.166 10 0 DEAERO Cc1cc(CCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)on1 ZINC000561581316 405939741 /nfs/dbraw/zinc/93/97/41/405939741.db2.gz OBNACMCROQCEBK-CXAGYDPISA-N 1 0 322.453 2.335 10 0 DEAERO c1c(C[NH2+]CCCc2ccc3c(c2)OCCO3)nc2ncccn12 ZINC000459440830 405905549 /nfs/dbraw/zinc/90/55/49/405905549.db2.gz OIZREHZKNSGHEA-UHFFFAOYSA-N 1 0 324.384 2.223 10 0 DEAERO c1cnn(C2CC([NH2+]Cc3cccc(N4CCOCC4)c3)C2)c1 ZINC000639207656 405973461 /nfs/dbraw/zinc/97/34/61/405973461.db2.gz RBJJDLJHJLJQGL-UHFFFAOYSA-N 1 0 312.417 2.213 10 0 DEAERO Brc1cnc2c(C[N@@H+]3CC[C@H]3C3CC3)cnn2c1 ZINC000639221270 405984514 /nfs/dbraw/zinc/98/45/14/405984514.db2.gz AAIQYAAVOYVMCJ-LBPRGKRZSA-N 1 0 307.195 2.476 10 0 DEAERO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCC12CCC2 ZINC000531770652 406003403 /nfs/dbraw/zinc/00/34/03/406003403.db2.gz FBYPNOWUFKNBAA-JKSUJKDBSA-N 1 0 321.465 2.092 10 0 DEAERO O[C@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000639369906 406067771 /nfs/dbraw/zinc/06/77/71/406067771.db2.gz LJVMKJMRBIXFOP-OKZBNKHCSA-N 1 0 322.493 2.303 10 0 DEAERO c1nc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)cc2c1OCCO2 ZINC000639388786 406076357 /nfs/dbraw/zinc/07/63/57/406076357.db2.gz BGYUWWYWKXNUPE-WMLDXEAASA-N 1 0 304.390 2.290 10 0 DEAERO c1cc(CO[C@@H]2CCN(Cc3nc(CC4CC4)no3)C2)ccn1 ZINC000639619753 406172227 /nfs/dbraw/zinc/17/22/27/406172227.db2.gz HQTAYJQAVVVODC-OAHLLOKOSA-N 1 0 314.389 2.208 10 0 DEAERO CCCC[N@H+](C)CCNCc1c(Br)cnn1C ZINC000487290131 406221447 /nfs/dbraw/zinc/22/14/47/406221447.db2.gz BLFVPHUMUBZSFX-UHFFFAOYSA-N 1 0 303.248 2.004 10 0 DEAERO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000488438621 406319816 /nfs/dbraw/zinc/31/98/16/406319816.db2.gz MFRZAQBZFDLFGL-RHSMWYFYSA-N 1 0 322.474 2.358 10 0 DEAERO Cc1cnc([C@@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)s1 ZINC000546566044 406362875 /nfs/dbraw/zinc/36/28/75/406362875.db2.gz JOIWZJFTYDFYIP-CYBMUJFWSA-N 1 0 308.451 2.464 10 0 DEAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000488718027 406340449 /nfs/dbraw/zinc/34/04/49/406340449.db2.gz GCUZCYQIVDQZMQ-INMHGKMJSA-N 1 0 321.461 2.427 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]C[C@H]2CSc3ccccc32)CC1 ZINC000634982667 406384927 /nfs/dbraw/zinc/38/49/27/406384927.db2.gz RGTNAMQLRPCKTH-QWHCGFSZSA-N 1 0 311.472 2.433 10 0 DEAERO c1c[nH]c(-c2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)n1 ZINC000547147354 406390577 /nfs/dbraw/zinc/39/05/77/406390577.db2.gz XEZCFKDDEUMJOO-ZDUSSCGKSA-N 1 0 310.361 2.234 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N=c2nc(C(C)(C)C)[n-]s2)CC1 ZINC000547281819 406394696 /nfs/dbraw/zinc/39/46/96/406394696.db2.gz DAQBDSFEVNCDKL-UHFFFAOYSA-N 1 0 323.466 2.031 10 0 DEAERO Cc1ccc(CC[NH2+]CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000571030846 406468775 /nfs/dbraw/zinc/46/87/75/406468775.db2.gz CUCJAWKBULDMHD-UHFFFAOYSA-N 1 0 308.381 2.423 10 0 DEAERO c1c(C[N@@H+]2CC[C@H](c3ccccc3)C2)nnn1C[C@@H]1CCOC1 ZINC000637914290 406474509 /nfs/dbraw/zinc/47/45/09/406474509.db2.gz XXSFTOUULDIAPR-RDJZCZTQSA-N 1 0 312.417 2.304 10 0 DEAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 ZINC000637917621 406476603 /nfs/dbraw/zinc/47/66/03/406476603.db2.gz AQHDVXLKSCZLIV-ZDMBXUJBSA-N 1 0 302.827 2.346 10 0 DEAERO C[C@H]1CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000637948730 406491638 /nfs/dbraw/zinc/49/16/38/406491638.db2.gz QRBDKFFFWDTUBG-INIZCTEOSA-N 1 0 315.461 2.238 10 0 DEAERO CC[C@H]1CCCCN1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637869913 406455140 /nfs/dbraw/zinc/45/51/40/406455140.db2.gz ZWBNTWZGCLPNDC-DLBZAZTESA-N 1 0 303.450 2.237 10 0 DEAERO COc1cccc(NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)c1 ZINC000637870345 406455507 /nfs/dbraw/zinc/45/55/07/406455507.db2.gz YUMDMSCOTZYFFC-KRWDZBQOSA-N 1 0 313.401 2.093 10 0 DEAERO CC[C@]1(C)CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638030815 406532715 /nfs/dbraw/zinc/53/27/15/406532715.db2.gz LPFWPVRPNBUCDK-SJLPKXTDSA-N 1 0 303.450 2.094 10 0 DEAERO c1nc(N2CCCC2)ncc1CNC1CC([NH+]2CCCCC2)C1 ZINC000526007834 406532803 /nfs/dbraw/zinc/53/28/03/406532803.db2.gz FOMGMRAYUJNMQB-UHFFFAOYSA-N 1 0 315.465 2.183 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000569200880 292396619 /nfs/dbraw/zinc/39/66/19/292396619.db2.gz VOMHPPSKDGENPM-INIZCTEOSA-N 1 0 316.405 2.028 10 0 DEAERO CC[NH+]1CCC(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)CC1 ZINC000526983158 406563896 /nfs/dbraw/zinc/56/38/96/406563896.db2.gz XDLXQJMZLJWKRD-ZDUSSCGKSA-N 1 0 318.465 2.239 10 0 DEAERO CC(=O)N1CC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000638094319 406566958 /nfs/dbraw/zinc/56/69/58/406566958.db2.gz RBVVSGLSMLLGFG-RDJZCZTQSA-N 1 0 301.434 2.066 10 0 DEAERO CC(C)C[C@H]1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000637992952 406513905 /nfs/dbraw/zinc/51/39/05/406513905.db2.gz WIKGQGAJQYUMEJ-MSOLQXFVSA-N 1 0 317.477 2.340 10 0 DEAERO O=C(CCC1C[NH2+]C1)N1CCc2ccc(Br)cc21 ZINC000637997103 406515756 /nfs/dbraw/zinc/51/57/56/406515756.db2.gz YAISRFAGDGIDCG-UHFFFAOYSA-N 1 0 309.207 2.338 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cnc(CC(C)C)nc2)C1 ZINC000525910982 406517503 /nfs/dbraw/zinc/51/75/03/406517503.db2.gz LWBNBPOFBQASLA-CYBMUJFWSA-N 1 0 305.426 2.138 10 0 DEAERO CC[C@H](C)C[C@@H](C)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638002296 406517816 /nfs/dbraw/zinc/51/78/16/406517816.db2.gz CRTHHPYPZCKSHL-ZMSDIMECSA-N 1 0 305.466 2.387 10 0 DEAERO CC[C@@H]1C[C@H](C)CN1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638006999 406520499 /nfs/dbraw/zinc/52/04/99/406520499.db2.gz JYQDPKVVNOAYFV-USXIJHARSA-N 1 0 303.450 2.093 10 0 DEAERO CC1(CNC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000638015413 406525246 /nfs/dbraw/zinc/52/52/46/406525246.db2.gz OMPBIPKAKZMRJY-UHFFFAOYSA-N 1 0 315.461 2.286 10 0 DEAERO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000527224758 406600025 /nfs/dbraw/zinc/60/00/25/406600025.db2.gz AEJTVZNBCPVPBC-IJLUTSLNSA-N 1 0 307.360 2.311 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[C@H]1CC1(F)F ZINC000638439233 406772282 /nfs/dbraw/zinc/77/22/82/406772282.db2.gz DCDXRRNBYWURFI-FPMFFAJLSA-N 1 0 312.360 2.081 10 0 DEAERO C[C@@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)c1cscn1 ZINC000638409003 406755190 /nfs/dbraw/zinc/75/51/90/406755190.db2.gz MEZJODCZTXJJSR-TYNCELHUSA-N 1 0 319.430 2.253 10 0 DEAERO Cc1cc(CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)on1 ZINC000553685165 406770280 /nfs/dbraw/zinc/77/02/80/406770280.db2.gz RVJODPKNMNUWIG-UHFFFAOYSA-N 1 0 308.426 2.134 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1nc2ccccc2o1 ZINC000572692429 406718914 /nfs/dbraw/zinc/71/89/14/406718914.db2.gz GMKPACZMEPQOEZ-CQSZACIVSA-N 1 0 301.390 2.361 10 0 DEAERO COC[C@]1(C(=O)Nc2cccc(Br)c2)CCC[NH2+]1 ZINC000643614769 407017072 /nfs/dbraw/zinc/01/70/72/407017072.db2.gz KPMVCYBAYQSLPJ-ZDUSSCGKSA-N 1 0 313.195 2.156 10 0 DEAERO COC[C@@]1(C(=O)NCc2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000643637812 407020290 /nfs/dbraw/zinc/02/02/90/407020290.db2.gz XNNQBEAVLQPORO-CQSZACIVSA-N 1 0 317.216 2.378 10 0 DEAERO Cc1cc(C)n(CC[N@H+]2CCC[C@H]2c2ccc(N(C)C)nn2)n1 ZINC000643729681 407033877 /nfs/dbraw/zinc/03/38/77/407033877.db2.gz DAZATEXFGZYLQL-INIZCTEOSA-N 1 0 314.437 2.193 10 0 DEAERO c1cnc2c(c1)nccc2N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000570059228 292461137 /nfs/dbraw/zinc/46/11/37/292461137.db2.gz JOCFZCRFIJNYBM-OAHLLOKOSA-N 1 0 312.417 2.321 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)[C@@H]1COc2ccccc21 ZINC000187399186 287047434 /nfs/dbraw/zinc/04/74/34/287047434.db2.gz DYMIULRMUUYHOI-ZENOOKHLSA-N 1 0 323.458 2.354 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCC(OCCO)CC1 ZINC000128797541 195992655 /nfs/dbraw/zinc/99/26/55/195992655.db2.gz UVYOYKFIDVSTPH-LRDDRELGSA-N 1 0 312.841 2.202 10 0 DEAERO CC[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H]1CCCO1 ZINC000128871615 196000142 /nfs/dbraw/zinc/00/01/42/196000142.db2.gz QCOSIOCNRPEQHR-HOTGVXAUSA-N 1 0 309.454 2.214 10 0 DEAERO C[C@H](CC[NH2+]C(C)(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129025621 196013150 /nfs/dbraw/zinc/01/31/50/196013150.db2.gz CRLWQICRFIOVAP-KGLIPLIRSA-N 1 0 304.500 2.462 10 0 DEAERO CC(C)C[NH2+]CC[C@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129040302 196014262 /nfs/dbraw/zinc/01/42/62/196014262.db2.gz BLTRNMFJBQDIME-GJZGRUSLSA-N 1 0 304.500 2.320 10 0 DEAERO C[NH2+][C@H]1CCN(C[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000129055096 196015862 /nfs/dbraw/zinc/01/58/62/196015862.db2.gz XXDPATLEDNHQHI-STQMWFEESA-N 1 0 311.223 2.046 10 0 DEAERO COc1cccc(CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000129126341 196021894 /nfs/dbraw/zinc/02/18/94/196021894.db2.gz TWTIVLYCYIPXSX-CQSZACIVSA-N 1 0 320.437 2.154 10 0 DEAERO [NH2+]=C(NCc1cc(Br)cc2c1OCC2)NC1CC1 ZINC000129204464 196028626 /nfs/dbraw/zinc/02/86/26/196028626.db2.gz MGPUFQNPZCUJNH-UHFFFAOYSA-N 1 0 310.195 2.160 10 0 DEAERO C[NH2+][C@@H](C)c1cc(Br)ccc1-n1cc(C(N)=O)cn1 ZINC000129234628 196031405 /nfs/dbraw/zinc/03/14/05/196031405.db2.gz ZZTIOPJDPUSICS-QMMMGPOBSA-N 1 0 323.194 2.014 10 0 DEAERO C[C@@H]([NH3+])Cc1cc(OCc2ncon2)ccc1Br ZINC000129358157 196041664 /nfs/dbraw/zinc/04/16/64/196041664.db2.gz QNUITZPXAHBDLZ-MRVPVSSYSA-N 1 0 312.167 2.301 10 0 DEAERO CN(CC[C@@H]1COCC[NH2+]1)Cc1csc(Br)c1 ZINC000129417421 196046813 /nfs/dbraw/zinc/04/68/13/196046813.db2.gz LMSNIAJKXRVNEC-LLVKDONJSA-N 1 0 319.268 2.321 10 0 DEAERO CCO[C@H](C[NH3+])COc1ccc(OC)cc1Br ZINC000129524491 196055145 /nfs/dbraw/zinc/05/51/45/196055145.db2.gz ZYXNDUFSPDTANO-SNVBAGLBSA-N 1 0 304.184 2.200 10 0 DEAERO Cc1cscc1[C@H](NN)c1c(Cl)cnn1CC[NH+](C)C ZINC000129555980 196056620 /nfs/dbraw/zinc/05/66/20/196056620.db2.gz JZKRHARHEYXBFZ-LBPRGKRZSA-N 1 0 313.858 2.021 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000129579825 196058360 /nfs/dbraw/zinc/05/83/60/196058360.db2.gz KDVRQVWBBGDTPU-MWLCHTKSSA-N 1 0 312.211 2.466 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)c1ccnc(C[NH3+])c1 ZINC000129608602 196061396 /nfs/dbraw/zinc/06/13/96/196061396.db2.gz HYZYDQUJCIRZKB-UHFFFAOYSA-N 1 0 321.178 2.259 10 0 DEAERO COc1ccc2c(c1)C[C@](CN)([N@H+](C)[C@@H]1CCSC1)CC2 ZINC000129625980 196063360 /nfs/dbraw/zinc/06/33/60/196063360.db2.gz HEJZVGGLSVMXPR-NVXWUHKLSA-N 1 0 306.475 2.319 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1c1nc2cc(Br)cc(C)c2[nH]1 ZINC000129639109 196064088 /nfs/dbraw/zinc/06/40/88/196064088.db2.gz QCOUMSUEIPYQTH-KOLCDFICSA-N 1 0 310.195 2.336 10 0 DEAERO CCO[C@@H]1[C@@H]([NH3+])C[C@@H]1Oc1ccc(OC)cc1Br ZINC000129671437 196066912 /nfs/dbraw/zinc/06/69/12/196066912.db2.gz UDCVQKDCOAJFIR-WCFLWFBJSA-N 1 0 316.195 2.341 10 0 DEAERO [NH3+]Cc1ccccc1CS(=O)(=O)NCCCCC(F)(F)F ZINC000130554226 196090888 /nfs/dbraw/zinc/09/08/88/196090888.db2.gz LKVSNGAWWSKZSV-UHFFFAOYSA-N 1 0 324.368 2.297 10 0 DEAERO CCN(C)C(=O)CC[N@@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000130647709 196099246 /nfs/dbraw/zinc/09/92/46/196099246.db2.gz QFRUQJUWBSOQIR-CQSZACIVSA-N 1 0 320.433 2.362 10 0 DEAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)NCCCCC(F)(F)F ZINC000130824340 196112619 /nfs/dbraw/zinc/11/26/19/196112619.db2.gz CGRQDZHYSANSOW-NSHDSACASA-N 1 0 316.389 2.171 10 0 DEAERO Cc1ccc(C[N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000130872951 196118882 /nfs/dbraw/zinc/11/88/82/196118882.db2.gz FBVXRAMPLAWTSI-MRXNPFEDSA-N 1 0 310.463 2.098 10 0 DEAERO C[NH2+]Cc1ccc(CS(=O)(=O)c2ccc(F)cc2F)o1 ZINC000130897338 196120350 /nfs/dbraw/zinc/12/03/50/196120350.db2.gz FNWRXIQWCJJXHZ-UHFFFAOYSA-N 1 0 301.314 2.251 10 0 DEAERO CCc1nsc(SCCC[C@](C)([NH2+]C(C)C)C(N)=O)n1 ZINC000131049265 196136197 /nfs/dbraw/zinc/13/61/97/196136197.db2.gz ZSVFCAZUSVPOAZ-ZDUSSCGKSA-N 1 0 316.496 2.215 10 0 DEAERO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cccc(Br)n1 ZINC000131087864 196138606 /nfs/dbraw/zinc/13/86/06/196138606.db2.gz QIYMEELRALJAMV-NSHDSACASA-N 1 0 314.227 2.094 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N[C@](C)(C[NH3+])C(C)C ZINC000131148141 196143400 /nfs/dbraw/zinc/14/34/00/196143400.db2.gz XNTIDCYODGMFQS-CYBMUJFWSA-N 1 0 304.843 2.300 10 0 DEAERO [NH3+]CC1(CNS(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC000131567907 196180257 /nfs/dbraw/zinc/18/02/57/196180257.db2.gz SWSAXSHWHHKSHR-UHFFFAOYSA-N 1 0 300.399 2.013 10 0 DEAERO CC[NH2+][C@@H](c1ncccc1F)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000131662111 196188663 /nfs/dbraw/zinc/18/86/63/196188663.db2.gz WDINFXUSUMSTHA-MBNYWOFBSA-N 1 0 314.426 2.475 10 0 DEAERO [NH3+][C@]1(C(=O)Nc2cc(Cl)ccc2Br)CCOC1 ZINC000131662692 196189440 /nfs/dbraw/zinc/18/94/40/196189440.db2.gz JFKSHKGXJKSPGH-LLVKDONJSA-N 1 0 319.586 2.159 10 0 DEAERO CC[NH2+][C@@H](CC[C@@H]1CCCN(S(C)(=O)=O)C1)CC(C)C ZINC000131751207 196196037 /nfs/dbraw/zinc/19/60/37/196196037.db2.gz FHBILCFVXRCXSF-GJZGRUSLSA-N 1 0 304.500 2.462 10 0 DEAERO C[NH2+]Cc1ccc(CS(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)cc1 ZINC000131793185 196199793 /nfs/dbraw/zinc/19/97/93/196199793.db2.gz SSUXQBUABFUYGD-KBPBESRZSA-N 1 0 310.463 2.214 10 0 DEAERO [NH3+]C1(c2nnc3c(Cl)cc(C(F)(F)F)cn32)CCOCC1 ZINC000131870102 196205828 /nfs/dbraw/zinc/20/58/28/196205828.db2.gz QRYDZQUIUDRTIG-UHFFFAOYSA-N 1 0 320.702 2.366 10 0 DEAERO CNc1ncc(Br)c(NCC2CC[NH+](C)CC2)n1 ZINC000131939147 196211927 /nfs/dbraw/zinc/21/19/27/196211927.db2.gz DBPOGQLCQXZQON-UHFFFAOYSA-N 1 0 314.231 2.035 10 0 DEAERO C[C@@H](C(=O)N1CCC(Cn2cccn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000131961327 196214206 /nfs/dbraw/zinc/21/42/06/196214206.db2.gz NVFPWTRHOYJCFV-XHSDSOJGSA-N 1 0 318.465 2.383 10 0 DEAERO C[NH2+][C@H](C)c1ccc(OCC(=O)N[C@H](C)COC)c(Cl)c1 ZINC000132334394 196247372 /nfs/dbraw/zinc/24/73/72/196247372.db2.gz VRYBFYKHGYAQOC-GHMZBOCLSA-N 1 0 314.813 2.150 10 0 DEAERO CC[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@H]1CCCO1 ZINC000132342474 196247420 /nfs/dbraw/zinc/24/74/20/196247420.db2.gz PSCXSALZZHKKQW-NVXWUHKLSA-N 1 0 320.433 2.314 10 0 DEAERO CCCSCc1nc([C@H]([NH3+])CCS(C)(=O)=O)cs1 ZINC000132438397 196256343 /nfs/dbraw/zinc/25/63/43/196256343.db2.gz ZXKQCKRIADDITE-SECBINFHSA-N 1 0 308.494 2.221 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H](COCc2cccc(Br)c2)O1 ZINC000132728992 196279105 /nfs/dbraw/zinc/27/91/05/196279105.db2.gz IWOXMRKXQNWLGK-MFKMUULPSA-N 1 0 300.196 2.343 10 0 DEAERO C[C@H](Cc1ccccc1)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000132746282 196279936 /nfs/dbraw/zinc/27/99/36/196279936.db2.gz IIVOWTKDZMQBBA-OAHLLOKOSA-N 1 0 324.490 2.221 10 0 DEAERO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](CCn2ccnc2)C1 ZINC000132759442 196281241 /nfs/dbraw/zinc/28/12/41/196281241.db2.gz ZHMFCFYZPFOLMN-IRXDYDNUSA-N 1 0 313.401 2.162 10 0 DEAERO CCCn1ncc(Br)c1[C@H](O)C1CC[NH2+]CC1 ZINC000132867953 196292025 /nfs/dbraw/zinc/29/20/25/196292025.db2.gz JXUMRLCUZYAGAH-GFCCVEGCSA-N 1 0 302.216 2.089 10 0 DEAERO O[C@@H](Cc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000133087751 196311283 /nfs/dbraw/zinc/31/12/83/196311283.db2.gz NYCHRGAGALHFGW-MFKMUULPSA-N 1 0 302.187 2.491 10 0 DEAERO COc1ccc(C[C@H](O)[C@H]2CCC[NH2+]C2)cc1Br ZINC000133095927 196311960 /nfs/dbraw/zinc/31/19/60/196311960.db2.gz ROXUFQHPCVCGOV-AAEUAGOBSA-N 1 0 314.223 2.361 10 0 DEAERO CCC[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2C)C1 ZINC000133297456 196328276 /nfs/dbraw/zinc/32/82/76/196328276.db2.gz XZMAAOVNGWHKNN-AWEZNQCLSA-N 1 0 314.426 2.287 10 0 DEAERO CCCn1ncc(Br)c1[C@@]1(O)CCC[NH2+]CC1 ZINC000133300596 196328614 /nfs/dbraw/zinc/32/86/14/196328614.db2.gz SDDBKVZAYIWWMH-GFCCVEGCSA-N 1 0 302.216 2.017 10 0 DEAERO COCCn1c(C[NH3+])nnc1-c1cc(Cl)cc(Cl)c1 ZINC000133802980 196336201 /nfs/dbraw/zinc/33/62/01/196336201.db2.gz WBSIOXHJRBFUKG-UHFFFAOYSA-N 1 0 301.177 2.357 10 0 DEAERO COC(=O)[C@H]1CCC[N@@H+]([C@H]2CCOC3(CCSCC3)C2)C1 ZINC000133800261 196336562 /nfs/dbraw/zinc/33/65/62/196336562.db2.gz OMQUJTOXSVKIHL-KBPBESRZSA-N 1 0 313.463 2.316 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cccc(Br)c1O ZINC000133812204 196337504 /nfs/dbraw/zinc/33/75/04/196337504.db2.gz DYABTIUOIRSUCZ-VIFPVBQESA-N 1 0 313.195 2.483 10 0 DEAERO COc1ccc(C2CC([NH2+]C[C@H]3CCCS3(=O)=O)C2)cc1 ZINC000133873399 196342332 /nfs/dbraw/zinc/34/23/32/196342332.db2.gz KPEMIWYUTHVIQP-ZBCRRDGASA-N 1 0 309.431 2.108 10 0 DEAERO Cc1cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c2ccccc2n1 ZINC000133958430 196349760 /nfs/dbraw/zinc/34/97/60/196349760.db2.gz LUEOXKJIECROJD-AWEZNQCLSA-N 1 0 304.415 2.210 10 0 DEAERO O=C(Cc1ccc(O)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000133937835 196347790 /nfs/dbraw/zinc/34/77/90/196347790.db2.gz KYXIHOGJBIRCHH-UHFFFAOYSA-N 1 0 302.418 2.269 10 0 DEAERO O=S1(=O)CCC[C@H]1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000134007967 196352992 /nfs/dbraw/zinc/35/29/92/196352992.db2.gz SERQVQJYLBLCDU-KBPBESRZSA-N 1 0 301.452 2.035 10 0 DEAERO O=S1(=O)CCC[C@H]1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000134007747 196353197 /nfs/dbraw/zinc/35/31/97/196353197.db2.gz SERQVQJYLBLCDU-KGLIPLIRSA-N 1 0 301.452 2.035 10 0 DEAERO CC[NH2+][C@@H](c1c(Cl)cnn1CCOC)[C@H]1CCCCO1 ZINC000134014514 196353275 /nfs/dbraw/zinc/35/32/75/196353275.db2.gz RTGDNZJBXPWBDJ-CHWSQXEVSA-N 1 0 301.818 2.403 10 0 DEAERO CC[N@@H+]1CCC[C@@H](Nc2cnn(CC(C)C)c(=O)c2Cl)C1 ZINC000134139174 196365190 /nfs/dbraw/zinc/36/51/90/196365190.db2.gz HNXWSAZFYNNSJE-GFCCVEGCSA-N 1 0 312.845 2.449 10 0 DEAERO CC[C@@H](CCO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000134400043 196386864 /nfs/dbraw/zinc/38/68/64/196386864.db2.gz DKHYNQATCBBSJB-QWRGUYRKSA-N 1 0 322.232 2.484 10 0 DEAERO CCC[C@H](O)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000134416329 196388648 /nfs/dbraw/zinc/38/86/48/196388648.db2.gz JMLQBBSNANWBGF-QWRGUYRKSA-N 1 0 322.232 2.484 10 0 DEAERO O=C(CC[NH2+][C@@H]1CCc2cc(Cl)ccc21)N1CCOCC1 ZINC000135136338 196446672 /nfs/dbraw/zinc/44/66/72/196446672.db2.gz QUQXHVRTKCXGMH-OAHLLOKOSA-N 1 0 308.809 2.166 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1OCC(=O)Nc1cccc(Br)c1 ZINC000136319497 196531445 /nfs/dbraw/zinc/53/14/45/196531445.db2.gz NPTPTLMSNNLYFA-RYUDHWBXSA-N 1 0 313.195 2.284 10 0 DEAERO CC[C@@H]1CC[C@H](C)N1S(=O)(=O)c1ccsc1C[NH2+]C ZINC000136750538 196551447 /nfs/dbraw/zinc/55/14/47/196551447.db2.gz ZEKGADAZYSTZFC-WDEREUQCSA-N 1 0 302.465 2.419 10 0 DEAERO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000137684073 196578544 /nfs/dbraw/zinc/57/85/44/196578544.db2.gz AWKIQLDPMNABPX-VXGBXAGGSA-N 1 0 309.207 2.049 10 0 DEAERO C[C@@H]1CN(Cc2cccc(Cl)c2Cl)CC[N@@H+]1CCO ZINC000190241123 225079591 /nfs/dbraw/zinc/07/95/91/225079591.db2.gz SILCSNWHYCBLJL-LLVKDONJSA-N 1 0 303.233 2.492 10 0 DEAERO CC[C@H](C)CS(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000113291155 287552327 /nfs/dbraw/zinc/55/23/27/287552327.db2.gz WGVOFXCCBUZTKS-GJZGRUSLSA-N 1 0 302.484 2.313 10 0 DEAERO O[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1O)COCc1ccc(Cl)cc1 ZINC000052014023 424837619 /nfs/dbraw/zinc/83/76/19/424837619.db2.gz SSNWBHNDXBTWSP-XHSDSOJGSA-N 1 0 313.825 2.111 10 0 DEAERO CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876266 424849216 /nfs/dbraw/zinc/84/92/16/424849216.db2.gz LYNOYHUVBZCXJA-AWEZNQCLSA-N 1 0 320.481 2.368 10 0 DEAERO O[C@@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccc(Cl)cc1 ZINC000105883992 424849697 /nfs/dbraw/zinc/84/96/97/424849697.db2.gz AFNDGCGAWAQBAO-BBRMVZONSA-N 1 0 320.824 2.377 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(Cl)ccc2OC)C1 ZINC000194641859 424877850 /nfs/dbraw/zinc/87/78/50/424877850.db2.gz ZMNVEWZKOODROQ-CQSZACIVSA-N 1 0 310.825 2.492 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2cc(Br)ccc2F)CCOC1 ZINC000404223141 424926005 /nfs/dbraw/zinc/92/60/05/424926005.db2.gz ZSUVOKSUBXDSKU-ZDUSSCGKSA-N 1 0 318.186 2.219 10 0 DEAERO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)COCc2ccccc2)C1 ZINC000404327424 424927228 /nfs/dbraw/zinc/92/72/28/424927228.db2.gz APRSXJOQESJMOH-INIZCTEOSA-N 1 0 310.397 2.367 10 0 DEAERO C[C@H](OCc1ccccc1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000404536582 424927675 /nfs/dbraw/zinc/92/76/75/424927675.db2.gz HDWMLTYESAKGPV-ZVZYQTTQSA-N 1 0 302.418 2.179 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1nscc1Br ZINC000404767578 424928707 /nfs/dbraw/zinc/92/87/07/424928707.db2.gz HKYCUQYELRGYLJ-CBAPKCEASA-N 1 0 318.240 2.153 10 0 DEAERO CN(C(=O)c1nscc1Br)C1CC[NH+](C)CC1 ZINC000404878051 424929494 /nfs/dbraw/zinc/92/94/94/424929494.db2.gz XWFBOHIUOKCXRN-UHFFFAOYSA-N 1 0 318.240 2.072 10 0 DEAERO [NH3+]CCC1CCN(C(=O)c2nscc2Br)CC1 ZINC000404806227 424929966 /nfs/dbraw/zinc/92/99/66/424929966.db2.gz YMLUUKHVJPPCLU-UHFFFAOYSA-N 1 0 318.240 2.107 10 0 DEAERO CCO[C@@H]1CN(Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000405277522 424930668 /nfs/dbraw/zinc/93/06/68/424930668.db2.gz YTUPPVYRIIUCHU-TZMCWYRMSA-N 1 0 313.239 2.245 10 0 DEAERO CC[C@H](C)n1nc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1C ZINC000408113243 424933569 /nfs/dbraw/zinc/93/35/69/424933569.db2.gz UKMHVDGNEANNAF-QEJZJMRPSA-N 1 0 319.453 2.863 10 0 DEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccccc1N ZINC000309920464 424893962 /nfs/dbraw/zinc/89/39/62/424893962.db2.gz VTJUAMFSWXXTLW-OAHLLOKOSA-N 1 0 311.429 2.448 10 0 DEAERO Cn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]C1CCN(C2CC2)CC1 ZINC000657294731 425295551 /nfs/dbraw/zinc/29/55/51/425295551.db2.gz DNNYJZCKFJTWLG-KBXCAEBGSA-N 1 0 318.465 2.104 10 0 DEAERO CC[N@H+](CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)C1CC1 ZINC000029912993 267364482 /nfs/dbraw/zinc/36/44/82/267364482.db2.gz BMPNOAPEAUFLBJ-GFCCVEGCSA-N 1 0 304.390 2.119 10 0 DEAERO CC[NH+]1CCN(CCC(=O)N[C@H](C)c2ccc(C)c(F)c2)CC1 ZINC000088352691 267398779 /nfs/dbraw/zinc/39/87/79/267398779.db2.gz VLHYHQYBQUMCDZ-OAHLLOKOSA-N 1 0 321.440 2.339 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2cc(F)ccc2Br)CC1=O ZINC000657695953 425387730 /nfs/dbraw/zinc/38/77/30/425387730.db2.gz QWJQIILFORSJSA-VIFPVBQESA-N 1 0 315.186 2.156 10 0 DEAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCc2ccsc2C1 ZINC000653150680 425418018 /nfs/dbraw/zinc/41/80/18/425418018.db2.gz KSSDZFDCVUIXJX-NXEZZACHSA-N 1 0 304.337 2.031 10 0 DEAERO C[NH+](C)C1CCN(CCNC(=O)C(C)(C)c2cccs2)CC1 ZINC000177153516 267553333 /nfs/dbraw/zinc/55/33/33/267553333.db2.gz DKZCEKFAAITBCG-UHFFFAOYSA-N 1 0 323.506 2.168 10 0 DEAERO CNC(=O)[C@@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)cc1)C(C)C ZINC000183653205 267628696 /nfs/dbraw/zinc/62/86/96/267628696.db2.gz YHJPFLVREHCCPU-KRWDZBQOSA-N 1 0 314.433 2.349 10 0 DEAERO CN(C(=O)[C@@H]1CSc2ccccc21)[C@H](C[NH3+])C(F)(F)F ZINC000662980400 425771168 /nfs/dbraw/zinc/77/11/68/425771168.db2.gz GXNNBLHPRQDXJU-MWLCHTKSSA-N 1 0 304.337 2.224 10 0 DEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCOC[C@@H]2C)o1 ZINC000194690579 268554882 /nfs/dbraw/zinc/55/48/82/268554882.db2.gz KARMMOCTBZSEOX-XJKSGUPXSA-N 1 0 308.422 2.151 10 0 DEAERO CC(C)c1nnc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000333472352 268951997 /nfs/dbraw/zinc/95/19/97/268951997.db2.gz AXPQEYFMZXUDRD-STQMWFEESA-N 1 0 310.467 2.384 10 0 DEAERO CCO[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000333629939 268965598 /nfs/dbraw/zinc/96/55/98/268965598.db2.gz GKXHBVPWBPWVSM-KFWWJZLASA-N 1 0 309.454 2.118 10 0 DEAERO Cc1cnc(C2CCN(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)s1 ZINC000333678333 268975987 /nfs/dbraw/zinc/97/59/87/268975987.db2.gz OJULAPVCVMDAAI-RISCZKNCSA-N 1 0 322.478 2.339 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000333776940 268991542 /nfs/dbraw/zinc/99/15/42/268991542.db2.gz DBGYOZDLZGNQJC-YESZJQIVSA-N 1 0 323.481 2.495 10 0 DEAERO CC(C)c1noc(-c2ccnc(N3CC[C@]4(CC[NH2+]C4)C3)c2)n1 ZINC000333926722 269004933 /nfs/dbraw/zinc/00/49/33/269004933.db2.gz VRSKVNJBHGGLIO-KRWDZBQOSA-N 1 0 313.405 2.445 10 0 DEAERO OC[C@@]1([NH2+]Cc2ccc(-n3cncn3)cc2)CCc2ccccc21 ZINC000370803880 269083604 /nfs/dbraw/zinc/08/36/04/269083604.db2.gz UTPLNTVBUIIWJU-IBGZPJMESA-N 1 0 320.396 2.191 10 0 DEAERO COCC(COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390887280 269097825 /nfs/dbraw/zinc/09/78/25/269097825.db2.gz YXRQLNZYQVCCSE-JLYLLQBASA-N 1 0 318.461 2.433 10 0 DEAERO Cn1cc(Br)c(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000393318758 269099149 /nfs/dbraw/zinc/09/91/49/269099149.db2.gz AEFALCITCYLPBM-CHWSQXEVSA-N 1 0 321.222 2.417 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000396672435 269103668 /nfs/dbraw/zinc/10/36/68/269103668.db2.gz ZNLFMWSDVKCPOO-KCJUWKMLSA-N 1 0 315.211 2.373 10 0 DEAERO CC[C@H](C)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397645419 269106620 /nfs/dbraw/zinc/10/66/20/269106620.db2.gz UXIQVFXNRHKLRI-HNNXBMFYSA-N 1 0 304.434 2.176 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@H](CO)CC(F)F)C1 ZINC000496009447 269192508 /nfs/dbraw/zinc/19/25/08/269192508.db2.gz YOVMOLVHKVJFEW-RYUDHWBXSA-N 1 0 322.396 2.239 10 0 DEAERO COCC[N@@H+]1CCN(c2ncnc3c(C)csc32)C[C@@H]1C ZINC000248954494 274032044 /nfs/dbraw/zinc/03/20/44/274032044.db2.gz LFRQIYFAMROEQG-LBPRGKRZSA-N 1 0 306.435 2.157 10 0 DEAERO C[C@H]1CC(CC[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)C[C@H](C)C1 ZINC000090005192 274551218 /nfs/dbraw/zinc/55/12/18/274551218.db2.gz JTCAYCHJOUMKOQ-ZIAGYGMSSA-N 1 0 321.465 2.465 10 0 DEAERO Cc1sc2nc(C)nc(N3CC[NH+](C[C@@H](C)O)CC3)c2c1C ZINC000408408178 274878864 /nfs/dbraw/zinc/87/88/64/274878864.db2.gz YRVXNEJNOXCUQZ-SNVBAGLBSA-N 1 0 320.462 2.119 10 0 DEAERO CC(C)C(=O)N1CCC([NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000192843261 275557882 /nfs/dbraw/zinc/55/78/82/275557882.db2.gz IHOIDZRCWRTOHW-HNNXBMFYSA-N 1 0 304.438 2.034 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000076962945 275900417 /nfs/dbraw/zinc/90/04/17/275900417.db2.gz AVPSVSYPAFWEOL-GOEBONIOSA-N 1 0 308.397 2.222 10 0 DEAERO CCC[C@@](C)(CO)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000086369833 276034851 /nfs/dbraw/zinc/03/48/51/276034851.db2.gz IBGZOEXYOTZTEI-AEFFLSMTSA-N 1 0 321.465 2.010 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000305212499 276141919 /nfs/dbraw/zinc/14/19/19/276141919.db2.gz GLPNAVOSOWUSCO-WBVHZDCISA-N 1 0 304.434 2.270 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 ZINC000170858590 276873348 /nfs/dbraw/zinc/87/33/48/276873348.db2.gz DQJGJVKASWPPOA-OCCSQVGLSA-N 1 0 308.809 2.054 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@](C)(CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000195169458 277193927 /nfs/dbraw/zinc/19/39/27/277193927.db2.gz MMSCLSXGTUQSRM-CRAIPNDOSA-N 1 0 323.481 2.414 10 0 DEAERO COc1c(CN2CCC[N@@H+](C3CCCC3)CC2)c(C)nn1C ZINC000179770954 277363590 /nfs/dbraw/zinc/36/35/90/277363590.db2.gz HXOJGHGKBHLASQ-UHFFFAOYSA-N 1 0 306.454 2.187 10 0 DEAERO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@@H](C)C(C)C)C1=O ZINC000174054923 277444848 /nfs/dbraw/zinc/44/48/48/277444848.db2.gz WOJDHWVMZFALAP-JQWIXIFHSA-N 1 0 310.419 2.274 10 0 DEAERO CS[C@H](C)CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000122973244 278158791 /nfs/dbraw/zinc/15/87/91/278158791.db2.gz WKTNGXCPWNJRTG-UKRRQHHQSA-N 1 0 309.479 2.210 10 0 DEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000253353936 278179582 /nfs/dbraw/zinc/17/95/82/278179582.db2.gz XGKXYEMRBBIDPN-HLLBOEOZSA-N 1 0 304.434 2.438 10 0 DEAERO CC1(C)CCC[C@@H](CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000261973429 278225634 /nfs/dbraw/zinc/22/56/34/278225634.db2.gz BSDIHQOQNTZWNL-HOTGVXAUSA-N 1 0 307.482 2.099 10 0 DEAERO CC1(C)CN(C(=O)c2ccc(N3CCCC3=O)cc2)CC[C@@H]1[NH3+] ZINC000261762600 278322691 /nfs/dbraw/zinc/32/26/91/278322691.db2.gz FJVBIQWGQKYWNU-HNNXBMFYSA-N 1 0 315.417 2.013 10 0 DEAERO CC1(C)CN(c2ccccc2S(=O)(=O)C(F)F)CC[C@@H]1[NH3+] ZINC000261661362 278343969 /nfs/dbraw/zinc/34/39/69/278343969.db2.gz KPDUGHVMFRTTNF-LBPRGKRZSA-N 1 0 318.389 2.247 10 0 DEAERO C[C@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000237719900 278395402 /nfs/dbraw/zinc/39/54/02/278395402.db2.gz LMZPAWHWNQNEIL-SWLSCSKDSA-N 1 0 306.381 2.386 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000170896330 279123802 /nfs/dbraw/zinc/12/38/02/279123802.db2.gz ZVTROSOTPRFTIW-HZPDHXFCSA-N 1 0 321.469 2.243 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCSCC[C@@H]1C ZINC000191119672 279124900 /nfs/dbraw/zinc/12/49/00/279124900.db2.gz QXEPDAZIGQOGKH-UONOGXRCSA-N 1 0 301.500 2.500 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112667194 279277564 /nfs/dbraw/zinc/27/75/64/279277564.db2.gz RMTIPIRSJJQVJD-INIZCTEOSA-N 1 0 318.465 2.303 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CC1CCCCC1 ZINC000175393551 279301645 /nfs/dbraw/zinc/30/16/45/279301645.db2.gz WILZATSXFJPSCL-OAHLLOKOSA-N 1 0 302.484 2.313 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000177708243 279328561 /nfs/dbraw/zinc/32/85/61/279328561.db2.gz DRFVRFYWZJXWSX-HOCLYGCPSA-N 1 0 314.437 2.139 10 0 DEAERO O=C1[C@@H](N2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1ccccc1Cl ZINC000171930624 280313833 /nfs/dbraw/zinc/31/38/33/280313833.db2.gz GBTWDLDCAIEKIH-CJNGLKHVSA-N 1 0 319.836 2.225 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000247081940 288311987 /nfs/dbraw/zinc/31/19/87/288311987.db2.gz HWVXFQFXFUZTFP-PWSUYJOCSA-N 1 0 322.792 2.377 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])s1 ZINC000250432508 281409463 /nfs/dbraw/zinc/40/94/63/281409463.db2.gz JUEPEYXXKKLXRQ-CMPLNLGQSA-N 1 0 302.465 2.201 10 0 DEAERO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000246221353 282035226 /nfs/dbraw/zinc/03/52/26/282035226.db2.gz DKXGRACBUQOOHA-CVEARBPZSA-N 1 0 323.481 2.014 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000131937769 289188638 /nfs/dbraw/zinc/18/86/38/289188638.db2.gz XAPYAXPQEQQBBH-WMLDXEAASA-N 1 0 312.417 2.249 10 0 DEAERO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346191 289315576 /nfs/dbraw/zinc/31/55/76/289315576.db2.gz RLPOOSGROQRZRC-BZUAXINKSA-N 1 0 307.482 2.050 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000237998092 295255283 /nfs/dbraw/zinc/25/52/83/295255283.db2.gz GVIQSLXWTDDPME-VVLHAWIVSA-N 1 0 302.418 2.398 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)CCCO2 ZINC000152355505 295272627 /nfs/dbraw/zinc/27/26/27/295272627.db2.gz FZWKORHESFIAIQ-WFASDCNBSA-N 1 0 304.390 2.119 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3ncnn3C1)CCCO2 ZINC000180604086 295272869 /nfs/dbraw/zinc/27/28/69/295272869.db2.gz WRUZMHUAFYMUIX-WFASDCNBSA-N 1 0 314.389 2.105 10 0 DEAERO C[C@H](C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000358234725 298100239 /nfs/dbraw/zinc/10/02/39/298100239.db2.gz JCLJQADGTSZIBN-BASYENTBSA-N 1 0 324.465 2.044 10 0 DEAERO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CC1(CCO)CC1 ZINC000188074647 302127430 /nfs/dbraw/zinc/12/74/30/302127430.db2.gz GRNNNDAENMHXJX-GOSISDBHSA-N 1 0 318.461 2.121 10 0 DEAERO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186807927 302178786 /nfs/dbraw/zinc/17/87/86/302178786.db2.gz FCOUKYKEWOQIFC-GJZGRUSLSA-N 1 0 304.434 2.265 10 0 DEAERO Cc1noc(C)c1CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000107389071 302839874 /nfs/dbraw/zinc/83/98/74/302839874.db2.gz ZRKACKBDCQCMHB-CQSZACIVSA-N 1 0 310.442 2.109 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1OCCc2ccccc21 ZINC000261646695 303364491 /nfs/dbraw/zinc/36/44/91/303364491.db2.gz ACMXJVOOXSMMOU-FSSNUXCQSA-N 1 0 314.429 2.323 10 0 DEAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000237937792 303489453 /nfs/dbraw/zinc/48/94/53/303489453.db2.gz GWJZYSACYHUEED-YUMQZZPRSA-N 1 0 318.261 2.457 10 0 DEAERO OC[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccnc1 ZINC000329378154 304830698 /nfs/dbraw/zinc/83/06/98/304830698.db2.gz OVNHICVIBMRJKR-YLFCFFPRSA-N 1 0 302.418 2.095 10 0 DEAERO c1ccc([C@@H]([NH2+]CCCN2CCOCC2)[C@@H]2CCOC2)cc1 ZINC000341878082 304855313 /nfs/dbraw/zinc/85/53/13/304855313.db2.gz QJAXHRHWHLDARB-QZTJIDSGSA-N 1 0 304.434 2.076 10 0 DEAERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000573660622 326077904 /nfs/dbraw/zinc/07/79/04/326077904.db2.gz FQZWCRUWLKASLX-STQMWFEESA-N 1 0 313.401 2.350 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)o1 ZINC000574346687 326146200 /nfs/dbraw/zinc/14/62/00/326146200.db2.gz QDGCVUXPCRPWBE-GFCCVEGCSA-N 1 0 312.435 2.083 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000575473896 326239985 /nfs/dbraw/zinc/23/99/85/326239985.db2.gz LVIBIQOHXNAHJH-UONOGXRCSA-N 1 0 306.410 2.085 10 0 DEAERO C[C@@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@H](C)[N@H+]1CCO ZINC000576121861 326271481 /nfs/dbraw/zinc/27/14/81/326271481.db2.gz OUHVTBANSXVKFC-GASCZTMLSA-N 1 0 322.424 2.062 10 0 DEAERO COc1c(N)ncnc1N1CCC(c2ncc(C)s2)CC1 ZINC000584301786 332231496 /nfs/dbraw/zinc/23/14/96/332231496.db2.gz FBVKGXUAJASNNW-UHFFFAOYSA-N 1 0 305.407 2.216 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000187719580 332983377 /nfs/dbraw/zinc/98/33/77/332983377.db2.gz KRWOZGLPSLNUNE-DGCLKSJQSA-N 1 0 321.339 2.317 10 0 DEAERO Cc1ccc(Br)c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000389700275 336885335 /nfs/dbraw/zinc/88/53/35/336885335.db2.gz IFBAFPAIZFFDFC-MFKMUULPSA-N 1 0 311.223 2.485 10 0 DEAERO [NH3+]C[C@@H](Cc1ccccc1F)N1CCC(O)(C(F)(F)F)CC1 ZINC000584636975 337379444 /nfs/dbraw/zinc/37/94/44/337379444.db2.gz PCOPLKHBCBXRSK-GFCCVEGCSA-N 1 0 320.330 2.085 10 0 DEAERO COC(=O)C[C@H]1C=CC2=C([NH2+]1)N(C(=O)OC(C)(C)C)CCC2 ZINC000584641326 337380157 /nfs/dbraw/zinc/38/01/57/337380157.db2.gz ONFKVSJELLZOTA-GFCCVEGCSA-N 1 0 308.378 2.320 10 0 DEAERO CCn1cc([C@H]2[NH2+]C[C@@]23CCN(C(=O)OC(C)(C)C)C3)cn1 ZINC000536957656 337868554 /nfs/dbraw/zinc/86/85/54/337868554.db2.gz CQDICSAWUQDISA-CZUORRHYSA-N 1 0 306.410 2.175 10 0 DEAERO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000448366772 533739735 /nfs/dbraw/zinc/73/97/35/533739735.db2.gz OAEWJJUWRANSEX-PBHICJAKSA-N 1 0 300.406 2.393 10 0 DEAERO C[C@@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000423945203 534303327 /nfs/dbraw/zinc/30/33/27/534303327.db2.gz HYGFSTNFFAFHMG-MFKMUULPSA-N 1 0 311.223 2.187 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCOc2cccc(C=O)c2)[C@@H](C)C1 ZINC000161306406 519695368 /nfs/dbraw/zinc/69/53/68/519695368.db2.gz XHMYVNKCKJVAPX-YOEHRIQHSA-N 1 0 318.417 2.113 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2nccn2C(F)F)C[C@H]1CC ZINC000105838046 519923074 /nfs/dbraw/zinc/92/30/74/519923074.db2.gz BVZIFOQKEBSQDR-CYBMUJFWSA-N 1 0 316.396 2.211 10 0 DEAERO CCOCC[N@@H+]1CCN([C@H](C)c2nc(CC)no2)C[C@H]1CC ZINC000105838182 519923164 /nfs/dbraw/zinc/92/31/64/519923164.db2.gz COKSLAHMRBHTGH-ZIAGYGMSSA-N 1 0 310.442 2.126 10 0 DEAERO CCN(C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)C1CCCCC1 ZINC000111867794 519963345 /nfs/dbraw/zinc/96/33/45/519963345.db2.gz RAZLIMYSOFFUOD-INIZCTEOSA-N 1 0 311.470 2.461 10 0 DEAERO O=C(NCCc1cccc(F)c1F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417610276 534468538 /nfs/dbraw/zinc/46/85/38/534468538.db2.gz MYIFXPIIIHGNDS-KRWDZBQOSA-N 1 0 323.387 2.292 10 0 DEAERO CCCCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000007541065 520638031 /nfs/dbraw/zinc/63/80/31/520638031.db2.gz LEBRSNHHRVXJIO-SNVBAGLBSA-N 1 0 313.348 2.241 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)Nc1ccc(C(N)=O)nc1 ZINC000127713018 521644846 /nfs/dbraw/zinc/64/48/46/521644846.db2.gz QWPQOCPETYXZEJ-UHFFFAOYSA-N 1 0 306.410 2.021 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2cn(C)nc2C)[C@@H](C)C1 ZINC000246524036 521718514 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CCc1nnc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000246124935 522767432 /nfs/dbraw/zinc/76/74/32/522767432.db2.gz YYPGNOIIZOYQBN-GHMZBOCLSA-N 1 0 311.455 2.295 10 0 DEAERO COCCC1(CNC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000129641268 523059266 /nfs/dbraw/zinc/05/92/66/523059266.db2.gz AMPSCBWVYRDZKH-UHFFFAOYSA-N 1 0 320.433 2.174 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1ccc(F)cc1 ZINC000111866304 523832899 /nfs/dbraw/zinc/83/28/99/523832899.db2.gz DKQJULVGZGTLHD-INIZCTEOSA-N 1 0 323.412 2.078 10 0 DEAERO COc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c(OC)c1OC ZINC000237335085 524596517 /nfs/dbraw/zinc/59/65/17/524596517.db2.gz CKCXDUDAYOASCJ-MNOVXSKESA-N 1 0 308.378 2.168 10 0 DEAERO CC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)nc1C ZINC000362761131 534804788 /nfs/dbraw/zinc/80/47/88/534804788.db2.gz VPSXILKFKCHSMN-ABAIWWIYSA-N 1 0 317.433 2.456 10 0 DEAERO Cc1ccc(F)c(OCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000158467774 524827468 /nfs/dbraw/zinc/82/74/68/524827468.db2.gz ATHJNYNWIDWXBQ-ZIAGYGMSSA-N 1 0 308.397 2.454 10 0 DEAERO CC(=O)c1ccc(NC(=O)CCN(C)Cc2cc[nH]n2)cc1 ZINC000357887244 534857582 /nfs/dbraw/zinc/85/75/82/534857582.db2.gz CRVMYJRDRHDKTK-UHFFFAOYSA-N 1 0 300.362 2.073 10 0 DEAERO CSCC[C@H]([NH3+])C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000157910290 525581823 /nfs/dbraw/zinc/58/18/23/525581823.db2.gz DRFYVCBBKRIPOP-HNNXBMFYSA-N 1 0 315.442 2.445 10 0 DEAERO Cc1c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cnn1C(C)(C)C ZINC000246979873 525649720 /nfs/dbraw/zinc/64/97/20/525649720.db2.gz GGNMHVRBIQCQPY-DOMZBBRYSA-N 1 0 306.454 2.405 10 0 DEAERO C[C@@H](O)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000157968053 525764801 /nfs/dbraw/zinc/76/48/01/525764801.db2.gz URMACQQYAPTHCH-OAHLLOKOSA-N 1 0 304.434 2.176 10 0 DEAERO c1cc2c(s1)CC[N@@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000338408674 526447264 /nfs/dbraw/zinc/44/72/64/526447264.db2.gz MHGXYRFORVRORQ-UHFFFAOYSA-N 1 0 311.414 2.325 10 0 DEAERO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccnn2-c2ccccc2)C1 ZINC000448330054 526662470 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CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ccncc2OC)C1 ZINC000189967381 528260524 /nfs/dbraw/zinc/26/05/24/528260524.db2.gz XVOXJLYKUZZEBO-UONOGXRCSA-N 1 0 320.437 2.182 10 0 DEAERO CCCCOC[C@H](O)C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000195198037 528621313 /nfs/dbraw/zinc/62/13/13/528621313.db2.gz LBYHSHZIIHOISR-GFCCVEGCSA-N 1 0 323.359 2.048 10 0 DEAERO CC(C)Cn1ccnc1NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C(F)(F)F ZINC000299745970 528733702 /nfs/dbraw/zinc/73/37/02/528733702.db2.gz UJISWNOPCJFAAX-GHMZBOCLSA-N 1 0 318.343 2.218 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cn3ccnc3s2)C1 ZINC000188704841 535078554 /nfs/dbraw/zinc/07/85/54/535078554.db2.gz SNDHWFQCPRRKHB-ZDUSSCGKSA-N 1 0 320.462 2.494 10 0 DEAERO CC(C)[C@H](NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246710100 535082599 /nfs/dbraw/zinc/08/25/99/535082599.db2.gz UJYMOIGSMDTESQ-HKUYNNGSSA-N 1 0 315.461 2.280 10 0 DEAERO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)C2 ZINC000261814403 535137418 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CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCC[N@H+](CC)C2)C1(C)C ZINC000247079181 535391536 /nfs/dbraw/zinc/39/15/36/535391536.db2.gz VIJNQHWPNOSAMW-RRFJBIMHSA-N 1 0 311.470 2.316 10 0 DEAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccnc3ccncc32)C1(C)C ZINC000262822941 535441431 /nfs/dbraw/zinc/44/14/31/535441431.db2.gz YWOFMEZFPZSHRF-RHSMWYFYSA-N 1 0 314.389 2.101 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc(F)c2)C12CCOCC2 ZINC000249050082 535503286 /nfs/dbraw/zinc/50/32/86/535503286.db2.gz WPQHGUKTRWSKAQ-IXDOHACOSA-N 1 0 323.408 2.423 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)NCCOc1ccc(C(F)(F)F)cn1 ZINC000262305459 535526925 /nfs/dbraw/zinc/52/69/25/535526925.db2.gz MDQHVSGRMRGUJB-CYBMUJFWSA-N 1 0 319.327 2.113 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1cccc(OC)c1 ZINC000246285044 535567552 /nfs/dbraw/zinc/56/75/52/535567552.db2.gz BDIQCMUXCOWRTH-PVAVHDDUSA-N 1 0 302.418 2.399 10 0 DEAERO CCS(=O)(=O)CCCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000190496456 535616952 /nfs/dbraw/zinc/61/69/52/535616952.db2.gz AIYIYNZBWVJZSP-UHFFFAOYSA-N 1 0 313.467 2.194 10 0 DEAERO CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C1([NH3+])CCOCC1 ZINC000261890939 535620890 /nfs/dbraw/zinc/62/08/90/535620890.db2.gz QLSWNPUFSLWAKK-CQSZACIVSA-N 1 0 320.433 2.296 10 0 DEAERO CCOC(=O)COc1ccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261847220 535692260 /nfs/dbraw/zinc/69/22/60/535692260.db2.gz REOPEKAGMKKUFT-MRXNPFEDSA-N 1 0 320.433 2.188 10 0 DEAERO CCOC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)C(C)C ZINC000191808675 535695379 /nfs/dbraw/zinc/69/53/79/535695379.db2.gz PESGNAGQMUAWQT-PMPSAXMXSA-N 1 0 313.486 2.419 10 0 DEAERO CCN(C(C)=O)c1nc(CN2CC[C@H]([NH3+])C(C)(C)C2)cs1 ZINC000261597016 535706705 /nfs/dbraw/zinc/70/67/05/535706705.db2.gz ALLRRBAXTTUOPD-ZDUSSCGKSA-N 1 0 310.467 2.075 10 0 DEAERO CCOc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246275379 535746589 /nfs/dbraw/zinc/74/65/89/535746589.db2.gz HKPAFACEAHXCML-ZBFHGGJFSA-N 1 0 317.433 2.192 10 0 DEAERO CC[C@@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1nccs1 ZINC000262746859 535801224 /nfs/dbraw/zinc/80/12/24/535801224.db2.gz JYKZJYPNRWQOCS-VXGBXAGGSA-N 1 0 319.434 2.145 10 0 DEAERO CCn1nccc1N1CCC[C@H]([NH2+][C@H](C)c2ccoc2)C1=O ZINC000188571076 535872543 /nfs/dbraw/zinc/87/25/43/535872543.db2.gz LLWKOZWKIWVWDF-OCCSQVGLSA-N 1 0 302.378 2.342 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cc(F)ccc1OC ZINC000248476625 536165120 /nfs/dbraw/zinc/16/51/20/536165120.db2.gz NXPIXLSQEKPUEO-HOTGVXAUSA-N 1 0 320.408 2.462 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(C)c(O)c1 ZINC000246455132 536165144 /nfs/dbraw/zinc/16/51/44/536165144.db2.gz PLQKHJHHZABJLN-HOTGVXAUSA-N 1 0 302.418 2.328 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc(-c2cccc(CN3CCCC3=O)c2)n1 ZINC000261870119 536346617 /nfs/dbraw/zinc/34/66/17/536346617.db2.gz VDLWFUGTLOOLKO-LBPRGKRZSA-N 1 0 314.389 2.009 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc(-c2ccccc2OC[C@@H]2CCCO2)n1 ZINC000261824518 536347206 /nfs/dbraw/zinc/34/72/06/536347206.db2.gz QURFBQLYQUOJHY-STQMWFEESA-N 1 0 317.389 2.445 10 0 DEAERO C[NH2+][C@H](C)CNC(=O)c1ccccc1-c1nc(C(C)C)no1 ZINC000261692985 536401180 /nfs/dbraw/zinc/40/11/80/536401180.db2.gz IORWSKCGLIBGFA-LLVKDONJSA-N 1 0 302.378 2.198 10 0 DEAERO C[NH2+][C@H](C)Cc1noc([C@H]2CCCN2C(=O)c2cccs2)n1 ZINC000261605893 536405750 /nfs/dbraw/zinc/40/57/50/536405750.db2.gz ACSQVIOVLJUSSS-GHMZBOCLSA-N 1 0 320.418 2.259 10 0 DEAERO C[N@H+](C[C@@H](O)CC1CCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000248991230 536417268 /nfs/dbraw/zinc/41/72/68/536417268.db2.gz YJHRGJQCKKPKEO-IRXDYDNUSA-N 1 0 318.465 2.318 10 0 DEAERO CNc1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)s1 ZINC000247816559 536424219 /nfs/dbraw/zinc/42/42/19/536424219.db2.gz WVRAJUABNJNXMR-JSGCOSHPSA-N 1 0 316.430 2.360 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(-c3ccco3)on2)C1 ZINC000246538716 536471635 /nfs/dbraw/zinc/47/16/35/536471635.db2.gz GIZROBYYAVGQCC-GXTWGEPZSA-N 1 0 315.373 2.491 10 0 DEAERO COC(=O)c1ccc(F)c(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000262394550 536719097 /nfs/dbraw/zinc/71/90/97/536719097.db2.gz BQYKORXXGSNFGZ-ZDUSSCGKSA-N 1 0 308.353 2.329 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)CC[C@H]1C ZINC000251704499 536730078 /nfs/dbraw/zinc/73/00/78/536730078.db2.gz KDLWMIYWDJLIIU-QWQRMKEZSA-N 1 0 318.417 2.264 10 0 DEAERO COc1ccc(CC(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000261751396 536818706 /nfs/dbraw/zinc/81/87/06/536818706.db2.gz PHWRWSVFHWQUMY-UHFFFAOYSA-N 1 0 312.413 2.268 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000458209544 536881455 /nfs/dbraw/zinc/88/14/55/536881455.db2.gz PCPRLVNSRSXURH-CQSZACIVSA-N 1 0 318.417 2.243 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@H]2CCCO2)cc1F ZINC000247003806 536905291 /nfs/dbraw/zinc/90/52/91/536905291.db2.gz ODVUZXQCFLGPQA-OUCADQQQSA-N 1 0 324.396 2.169 10 0 DEAERO C[C@H]1C[N@H+](Cc2cnc(N)s2)CC[C@H]1NC(=O)C(C)(C)C ZINC000725271637 563576812 /nfs/dbraw/zinc/57/68/12/563576812.db2.gz JDIPNEQAZWPYCU-CMPLNLGQSA-N 1 0 310.467 2.098 10 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DEAERO COCC(COC)OC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000805895919 643746510 /nfs/dbraw/zinc/74/65/10/643746510.db2.gz GYDMIYKTURMDEE-UHFFFAOYSA-N 1 0 307.390 2.101 10 0 DEAERO CCOC(=O)Oc1ccc(C(=O)NC[C@H]2CC[N@H+](CC)C2)cc1 ZINC000800443242 645272378 /nfs/dbraw/zinc/27/23/78/645272378.db2.gz ORVHSALEKAGNKY-CYBMUJFWSA-N 1 0 320.389 2.294 10 0 DEAERO CC[N@H+](C)[C@@H](C(=O)N1CCO[C@@H](C(F)F)C1)c1ccccc1 ZINC000801005522 645329220 /nfs/dbraw/zinc/32/92/20/645329220.db2.gz GHUUTRDHWZKLRA-ZIAGYGMSSA-N 1 0 312.360 2.172 10 0 DEAERO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC000801920037 645461836 /nfs/dbraw/zinc/46/18/36/645461836.db2.gz MMZYLXFYOLSIBW-OAHLLOKOSA-N 1 0 304.510 2.190 10 0 DEAERO CC[C@H](C[NH+]1CCCC1)NC(=O)NC1(CCO)CCCCC1 ZINC000802241611 645507249 /nfs/dbraw/zinc/50/72/49/645507249.db2.gz QLVYZXPKWJARET-OAHLLOKOSA-N 1 0 311.470 2.245 10 0 DEAERO CCCn1nnc(C[NH3+])c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000757137833 645928853 /nfs/dbraw/zinc/92/88/53/645928853.db2.gz NSAXDSSSCWALLE-UHFFFAOYSA-N 1 0 323.441 2.261 10 0 DEAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(F)c(Br)c1 ZINC000757184677 645938122 /nfs/dbraw/zinc/93/81/22/645938122.db2.gz MIQIWFAVYKHPIA-DTWKUNHWSA-N 1 0 302.143 2.064 10 0 DEAERO O=S(=O)(c1ccccc1NCC1CC[NH2+]CC1)C(F)F ZINC000044509301 646388967 /nfs/dbraw/zinc/38/89/67/646388967.db2.gz PWXXCOFYRPHMPV-UHFFFAOYSA-N 1 0 304.362 2.094 10 0 DEAERO COC(=O)c1ccc(C[NH2+][C@H](C)[C@H](C)O)c(Br)c1 ZINC000349312480 646461539 /nfs/dbraw/zinc/46/15/39/646461539.db2.gz FLMAKKPRLDCDHA-BDAKNGLRSA-N 1 0 316.195 2.095 10 0 DEAERO CC(C)([NH3+])CCNc1ccc(I)cn1 ZINC000166097527 646512783 /nfs/dbraw/zinc/51/27/83/646512783.db2.gz HAMWIMJMDNJBRM-UHFFFAOYSA-N 1 0 305.163 2.226 10 0 DEAERO C=CCNC(=S)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000045711407 646522124 /nfs/dbraw/zinc/52/21/24/646522124.db2.gz WTFAODNANSUIDM-UHFFFAOYSA-N 1 0 303.475 2.473 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@H]2CCC[C@H]2O)CC1 ZINC000226368248 646569484 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C[C@@H]([NH3+])C1CCN(c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000111612650 652607536 /nfs/dbraw/zinc/60/75/36/652607536.db2.gz BYQSQPDJGPZYNI-SNVBAGLBSA-N 1 0 318.389 2.247 10 0 DEAERO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000379501368 685390980 /nfs/dbraw/zinc/39/09/80/685390980.db2.gz WMJLSMHIVYQHST-DXGKCEBASA-N 1 0 314.838 2.323 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000379678124 685393135 /nfs/dbraw/zinc/39/31/35/685393135.db2.gz ZQSZAMYIYXQNSS-APPRXGMUSA-N 1 0 314.838 2.452 10 0 DEAERO CC[C@@](C)([NH3+])c1cn(Cc2ncccc2Br)nn1 ZINC000384196629 685410120 /nfs/dbraw/zinc/41/01/20/685410120.db2.gz YIBZAWOKGZYQDI-GFCCVEGCSA-N 1 0 310.199 2.068 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000389848283 685436047 /nfs/dbraw/zinc/43/60/47/685436047.db2.gz SETCXKYFPQOMCS-APPRXGMUSA-N 1 0 314.838 2.228 10 0 DEAERO [NH3+]CC1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000036296853 683881020 /nfs/dbraw/zinc/88/10/20/683881020.db2.gz 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CCCCCCNC(=O)[C@@H]1CCCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000193226975 685035614 /nfs/dbraw/zinc/03/56/14/685035614.db2.gz MCWMIHJSTZSFQV-HUUCEWRRSA-N 1 0 311.470 2.049 10 0 DEAERO C[NH2+][C@@H]1CCCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000211380103 685102833 /nfs/dbraw/zinc/10/28/33/685102833.db2.gz ZCCHRZHOBZUEHC-QQBNSCQMSA-N 1 0 314.838 2.324 10 0 DEAERO COC(=O)[C@@H](C)C[N@H+](CC[C@H]1CCOC1=O)Cc1ccccc1 ZINC000246364743 685128763 /nfs/dbraw/zinc/12/87/63/685128763.db2.gz HKTFWQTUCFQGEO-HOCLYGCPSA-N 1 0 319.401 2.251 10 0 DEAERO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc21 ZINC000247410827 685147742 /nfs/dbraw/zinc/14/77/42/685147742.db2.gz NGCOHRCXGYTACL-HLLBOEOZSA-N 1 0 315.461 2.379 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C[C@H]2CC[C@@H](O)C2)C1 ZINC000248657345 685163890 /nfs/dbraw/zinc/16/38/90/685163890.db2.gz AHUPFQDKXKLYLI-JJRVBVJISA-N 1 0 312.454 2.384 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCOC2)[C@H]1c1ccccc1 ZINC000249093205 685174311 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CC(=O)N1C[C@@H]([NH2+]C2CC(OC(C)C)C2)CC[C@@H]1C(F)(F)F ZINC000886052231 691993565 /nfs/dbraw/zinc/99/35/65/691993565.db2.gz BBPCNONYXDKXAK-GFJIZPEISA-N 1 0 322.371 2.474 10 0 DEAERO CC(=O)NCc1cc(O[C@H]2CC[N@@H+](C3CCCC3)C2)ccn1 ZINC000886059757 691995233 /nfs/dbraw/zinc/99/52/33/691995233.db2.gz ZYWNBJDBPUFRRK-KRWDZBQOSA-N 1 0 303.406 2.113 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000886080003 691998557 /nfs/dbraw/zinc/99/85/57/691998557.db2.gz JFFYOPBWAMQSCU-GRDNDAEWSA-N 1 0 315.421 2.337 10 0 DEAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)Cc2c(C)noc2C)C1 ZINC000886077721 691998707 /nfs/dbraw/zinc/99/87/07/691998707.db2.gz HLFIFGXIXLRATI-OIISXLGYSA-N 1 0 307.438 2.365 10 0 DEAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)c2cncc(C)c2)C1 ZINC000886093998 692002065 /nfs/dbraw/zinc/00/20/65/692002065.db2.gz NFRXYRJQMAIRGS-BBWFWOEESA-N 1 0 317.433 2.104 10 0 DEAERO CC[C@@H]([NH2+][C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc2c(c1)CCO2 ZINC000886096765 692002622 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CCN1CCC([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724102767 777241243 /nfs/dbraw/zinc/24/12/43/777241243.db2.gz JRDMKZJTAZIIFX-JTQLQIEISA-N 1 0 304.303 2.009 10 0 DEAERO C[N@H+](CC1CCOCC1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724111971 777243232 /nfs/dbraw/zinc/24/32/32/777243232.db2.gz RJBVCSNAPIBMBG-JTQLQIEISA-N 1 0 305.287 2.293 10 0 DEAERO C[C@H]1CC(C[NH2+]Cc2nc(Br)c[nH]2)C[C@H](C)O1 ZINC000724286390 777271684 /nfs/dbraw/zinc/27/16/84/777271684.db2.gz DPYLHVRHDONAFA-IUCAKERBSA-N 1 0 302.216 2.465 10 0 DEAERO Cc1ncsc1/C=C\C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000588522049 777345972 /nfs/dbraw/zinc/34/59/72/777345972.db2.gz BNKWTBGHJLUFIL-ZRUQZJFASA-N 1 0 324.446 2.365 10 0 DEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CC(O)C3)CN1C(=O)OC(C)(C)C ZINC000724911672 777516866 /nfs/dbraw/zinc/51/68/66/777516866.db2.gz GKFNWNUYHYPZLJ-KCNXFKOVSA-N 1 0 310.438 2.277 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000722268715 778556077 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C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000722243128 787327642 /nfs/dbraw/zinc/32/76/42/787327642.db2.gz GSODTFOHOAXSCG-YXMSTPNBSA-N 1 0 323.481 2.314 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NCCC[NH2+]C2CC2)c1C ZINC000722566359 787333309 /nfs/dbraw/zinc/33/33/09/787333309.db2.gz HQCPTCXVHKYLBH-UHFFFAOYSA-N 1 0 302.465 2.094 10 0 DEAERO O=C(C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)NCc1ccccc1 ZINC000723619617 787344723 /nfs/dbraw/zinc/34/47/23/787344723.db2.gz MPPWHPFNTGWCKK-GVDBMIGSSA-N 1 0 302.418 2.098 10 0 DEAERO C[C@](O)(C[NH2+]CC1(CO)CCCC1)C(F)(F)C(F)(F)F ZINC000724036783 787347380 /nfs/dbraw/zinc/34/73/80/787347380.db2.gz PPXNFLVGFQNFRM-VIFPVBQESA-N 1 0 305.287 2.077 10 0 DEAERO CC(C)(C)C[C@@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724050523 787347854 /nfs/dbraw/zinc/34/78/54/787347854.db2.gz YEBGWAGIOJZLRM-PSASIEDQSA-N 1 0 307.303 2.322 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)C1 ZINC000724082471 787349288 /nfs/dbraw/zinc/34/92/88/787349288.db2.gz NQUYDNIKSXOOSH-IJLUTSLNSA-N 1 0 322.396 2.286 10 0 DEAERO CC(C)(C)C[C@@H](CO)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724115613 787350269 /nfs/dbraw/zinc/35/02/69/787350269.db2.gz SEZDJNWJDBEREH-WPRPVWTQSA-N 1 0 307.303 2.322 10 0 DEAERO c1ccc(COC2CC([NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)C2)cc1 ZINC000724643146 787352467 /nfs/dbraw/zinc/35/24/67/787352467.db2.gz MQKSVJTUDZKHCZ-BNGPMPHDSA-N 1 0 303.402 2.128 10 0 DEAERO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000724936902 787354547 /nfs/dbraw/zinc/35/45/47/787354547.db2.gz ONZVTFDFFPUULH-BHIYHBOVSA-N 1 0 318.461 2.292 10 0 DEAERO Cn1cc(C[NH2+]C[C@H](O)c2ccsc2)c(Br)n1 ZINC000712398646 792185120 /nfs/dbraw/zinc/18/51/20/792185120.db2.gz WZCVENFBKIJUJJ-JTQLQIEISA-N 1 0 316.224 2.067 10 0 DEAERO Cn1cc(C[NH2+]C[C@@H](O)c2ccsc2)c(Br)n1 ZINC000712398648 792186057 /nfs/dbraw/zinc/18/60/57/792186057.db2.gz WZCVENFBKIJUJJ-SNVBAGLBSA-N 1 0 316.224 2.067 10 0 DEAERO C[C@@H]1C[C@H](C[NH2+]Cc2cn(C)nc2Br)[C@H](C)O1 ZINC000712499157 792190069 /nfs/dbraw/zinc/19/00/69/792190069.db2.gz WHJFOYFZWHMAAX-KXUCPTDWSA-N 1 0 302.216 2.086 10 0 DEAERO CN1CC[C@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000712594188 792192173 /nfs/dbraw/zinc/19/21/73/792192173.db2.gz GWYIOEXTDJRFEH-QWRGUYRKSA-N 1 0 319.232 2.027 10 0 DEAERO C[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)COCc1ccccc1 ZINC000713424453 792232370 /nfs/dbraw/zinc/23/23/70/792232370.db2.gz JKTIIWJGSQXXFB-KBEGMRNHSA-N 1 0 302.418 2.083 10 0 DEAERO Brc1c[nH]c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 ZINC000713573346 792238013 /nfs/dbraw/zinc/23/80/13/792238013.db2.gz XLLYOLVELCWFJQ-FXAINCCUSA-N 1 0 312.211 2.219 10 0 DEAERO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cn(C)nc2Br)[C@@H]1C ZINC000714089117 792285120 /nfs/dbraw/zinc/28/51/20/792285120.db2.gz SFWPZSNXYUVNLR-FOGDFJRCSA-N 1 0 315.259 2.130 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CC[C@H](O)C(F)F)C1 ZINC000714243378 792305098 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/nfs/dbraw/zinc/52/60/61/792526061.db2.gz OOLDOXLMORFPGG-UHFFFAOYSA-N 1 0 309.207 2.161 10 0 DEAERO C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000716552091 792972408 /nfs/dbraw/zinc/97/24/08/792972408.db2.gz FEGPGXJOVWOQLC-JTQLQIEISA-N 1 0 302.827 2.006 10 0 DEAERO CN(C)c1cc(C(=O)OCCC[NH+]2CCCC2)cc(Cl)n1 ZINC000800167276 799327794 /nfs/dbraw/zinc/32/77/94/799327794.db2.gz FROBYXWSLUARAU-UHFFFAOYSA-N 1 0 311.813 2.444 10 0 DEAERO CC1(C)CO[C@H](CC[NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC000717386769 799393914 /nfs/dbraw/zinc/39/39/14/799393914.db2.gz ICSIWQWCGOYGFO-DLBZAZTESA-N 1 0 307.434 2.359 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]Cc2ccnn2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401709107 801845141 /nfs/dbraw/zinc/84/51/41/801845141.db2.gz CTOYHHFNIHVQOO-OLZOCXBDSA-N 1 0 308.426 2.155 10 0 DEAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)CN(C(=O)OC(C)(C)C)C1 ZINC000401774115 801849619 /nfs/dbraw/zinc/84/96/19/801849619.db2.gz LIEWXITYRMXGSV-LJISPDSOSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCN2CC=CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401852359 801854725 /nfs/dbraw/zinc/85/47/25/801854725.db2.gz TVNPYLHUXCYIPL-CVEARBPZSA-N 1 0 323.481 2.483 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncnc2)C12CCC2 ZINC000404634131 802025983 /nfs/dbraw/zinc/02/59/83/802025983.db2.gz HKHSFWOURHNZKR-KGLIPLIRSA-N 1 0 318.421 2.402 10 0 DEAERO c1ccc2c(c1)OC[C@@H](C[NH2+]Cc1cccc3c1OCCO3)O2 ZINC000047495942 1078395458 /nfs/dbraw/zinc/39/54/58/1078395458.db2.gz FXKLDODXNBAVGL-CQSZACIVSA-N 1 0 313.353 2.387 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CC[NH2+]CCC1(C)C ZINC000725073889 1078801357 /nfs/dbraw/zinc/80/13/57/1078801357.db2.gz VXKYOZILZAFHBN-UHFFFAOYSA-N 1 0 302.465 2.128 10 0 DEAERO c1ccc(COCC[NH2+]Cc2cnc(N3CCCC3)nc2)cc1 ZINC000080244455 1080958466 /nfs/dbraw/zinc/95/84/66/1080958466.db2.gz GSJAXIDBSLMOOS-UHFFFAOYSA-N 1 0 312.417 2.383 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)CCC(C)(C)C2CC2)C1 ZINC000717936571 1081819939 /nfs/dbraw/zinc/81/99/39/1081819939.db2.gz JKTPIEPCTNJFBC-STQMWFEESA-N 1 0 302.484 2.202 10 0 DEAERO CCN(C)C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717982644 1081855108 /nfs/dbraw/zinc/85/51/08/1081855108.db2.gz FJGAJIQYNCNJDA-UHFFFAOYSA-N 1 0 319.449 2.065 10 0 DEAERO C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(C(F)(F)F)s1 ZINC000717981588 1081855251 /nfs/dbraw/zinc/85/52/51/1081855251.db2.gz GBGAPEYOSLTWSM-BXKDBHETSA-N 1 0 308.369 2.484 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000721037538 1085596055 /nfs/dbraw/zinc/59/60/55/1085596055.db2.gz RVPNIEVFWAADDG-VXGBXAGGSA-N 1 0 316.854 2.172 10 0 DEAERO CC1(C)CN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000720749323 1086070332 /nfs/dbraw/zinc/07/03/32/1086070332.db2.gz UFMQJJOZYZDKIK-MEJMFZKBSA-N 1 0 314.838 2.310 10 0 DEAERO [NH3+]C1CCC(NC(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000700634006 1086322853 /nfs/dbraw/zinc/32/28/53/1086322853.db2.gz BGTDFZGUMPHEKZ-VURMDHGXSA-N 1 0 313.195 2.441 10 0 DEAERO Cc1ccc(O)c(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)n1 ZINC000701866837 1086389028 /nfs/dbraw/zinc/38/90/28/1086389028.db2.gz GQPKWDSNIOFBGK-LBPRGKRZSA-N 1 0 309.410 2.441 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@@H]1C[C@H](O)C1(C)C)C2 ZINC000701932233 1086395103 /nfs/dbraw/zinc/39/51/03/1086395103.db2.gz VUPYXGKYJCVWET-HASVCBABSA-N 1 0 310.438 2.135 10 0 DEAERO O=C(c1nc(Cl)ccc1Cl)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000702298700 1086420348 /nfs/dbraw/zinc/42/03/48/1086420348.db2.gz WZPBKNDHNFBJDE-SECBINFHSA-N 1 0 300.189 2.309 10 0 DEAERO C[NH+](C)C[C@H](N)C(=O)Nc1ccccc1OCc1ccccc1 ZINC000702331168 1086424464 /nfs/dbraw/zinc/42/44/64/1086424464.db2.gz XVOJKOAGMKBTER-HNNXBMFYSA-N 1 0 313.401 2.093 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000702649065 1086450056 /nfs/dbraw/zinc/45/00/56/1086450056.db2.gz IOJGDYOSKXEPAE-QTSSUADMSA-N 1 0 300.811 2.062 10 0 DEAERO Nc1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nn1 ZINC000703981654 1086569658 /nfs/dbraw/zinc/56/96/58/1086569658.db2.gz YNJQIKPQBVOHAO-DLBZAZTESA-N 1 0 323.444 2.013 10 0 DEAERO COC[C@H](C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000704448188 1086580191 /nfs/dbraw/zinc/58/01/91/1086580191.db2.gz BVYKLBDYINBCJF-GOEBONIOSA-N 1 0 306.406 2.412 10 0 DEAERO CC[C@@H]1[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)OC(C)(C)C ZINC000704625327 1086586032 /nfs/dbraw/zinc/58/60/32/1086586032.db2.gz XXESBBFSZNAWDK-UONOGXRCSA-N 1 0 308.426 2.298 10 0 DEAERO Brc1ccc2oc(N3C[C@@H]4C[NH2+]C[C@H]4C3)nc2c1 ZINC000705931569 1086626955 /nfs/dbraw/zinc/62/69/55/1086626955.db2.gz SNOAFJLVZBGITI-IUCAKERBSA-N 1 0 308.179 2.246 10 0 DEAERO CCCN1CC[C@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000706484452 1086639862 /nfs/dbraw/zinc/63/98/62/1086639862.db2.gz YEZRWWHTUZZDJM-CSLYMUCUSA-N 1 0 323.481 2.460 10 0 DEAERO CC[C@H](C(N)=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000706574173 1086642250 /nfs/dbraw/zinc/64/22/50/1086642250.db2.gz OUNNSOSFIHDMSI-NEWSRXKRSA-N 1 0 315.461 2.094 10 0 DEAERO [NH3+]CC1(NC(=O)/C=C/c2ccc(Cl)s2)CCOCC1 ZINC000707885474 1086674223 /nfs/dbraw/zinc/67/42/23/1086674223.db2.gz KDJBVCWZVCCINY-DUXPYHPUSA-N 1 0 300.811 2.039 10 0 DEAERO C[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709437838 1086682726 /nfs/dbraw/zinc/68/27/26/1086682726.db2.gz AZOJHKKULINDKA-QKGCVVFFSA-N 1 0 310.438 2.399 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1cn(C)cn1 ZINC000709932607 1086685556 /nfs/dbraw/zinc/68/55/56/1086685556.db2.gz FARVDCGIRQERSF-RWMBFGLXSA-N 1 0 308.426 2.469 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(SC(F)F)cc2)C[NH2+]CCO1 ZINC000710710649 1086688707 /nfs/dbraw/zinc/68/87/07/1086688707.db2.gz KXQCJAOBFQDRDV-ZDUSSCGKSA-N 1 0 302.346 2.318 10 0 DEAERO C[C@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)COCc1ccccc1 ZINC000711250166 1087036062 /nfs/dbraw/zinc/03/60/62/1087036062.db2.gz NOSKXCSWRNHOIJ-ZBFHGGJFSA-N 1 0 304.434 2.201 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2([NH2+]Cc2cc[nH]n2)C1 ZINC000711350795 1087072431 /nfs/dbraw/zinc/07/24/31/1087072431.db2.gz IXIVVEYYOFPBOY-LRDDRELGSA-N 1 0 306.410 2.289 10 0 DEAERO C[C@@H](CC[S@@](C)=O)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711390932 1087081681 /nfs/dbraw/zinc/08/16/81/1087081681.db2.gz LPIJNDAEAYTDGG-HRCYWFJESA-N 1 0 318.483 2.036 10 0 DEAERO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccc(Br)cc1 ZINC000711651823 1087186314 /nfs/dbraw/zinc/18/63/14/1087186314.db2.gz ABTVCIGBRSLOHQ-JSGCOSHPSA-N 1 0 309.207 2.464 10 0 DEAERO Brc1cc(C[NH2+][C@]23C[C@H]2COC3)cc2c1OCO2 ZINC000718064436 1087782520 /nfs/dbraw/zinc/78/25/20/1087782520.db2.gz VNJHUPFPFDGJAB-ZANVPECISA-N 1 0 312.163 2.056 10 0 DEAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000718382473 1088511654 /nfs/dbraw/zinc/51/16/54/1088511654.db2.gz NIADLGKBVXARCG-XQLPTFJDSA-N 1 0 303.468 2.280 10 0 DEAERO Cc1nc(CN2CC[C@@](C)(C[NH3+])C2)sc1Br ZINC000719241257 1088912276 /nfs/dbraw/zinc/91/22/76/1088912276.db2.gz PHTIRGWPQLYAJW-NSHDSACASA-N 1 0 304.257 2.385 10 0 DEAERO Cc1nc(CN2CC[C@H]([NH3+])[C@@H](C)C2)sc1Br ZINC000719250168 1088914273 /nfs/dbraw/zinc/91/42/73/1088914273.db2.gz FFCYYOIREZVKNN-CBAPKCEASA-N 1 0 304.257 2.383 10 0 DEAERO Cc1nc(CN2CC[NH2+][C@@H](C)[C@@H]2C)sc1Br ZINC000719274381 1088919296 /nfs/dbraw/zinc/91/92/96/1088919296.db2.gz WIQBMXHUMJIZGO-CBAPKCEASA-N 1 0 304.257 2.396 10 0 DEAERO Cc1nc(C[NH2+]CCc2ccn(C)n2)sc1Br ZINC000719318701 1088937664 /nfs/dbraw/zinc/93/76/64/1088937664.db2.gz WDHPDJYCELAIFM-UHFFFAOYSA-N 1 0 315.240 2.280 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)CN1C1CC1 ZINC000720248385 1089538674 /nfs/dbraw/zinc/53/86/74/1089538674.db2.gz GFJBMXSBNKMOIY-IUCAKERBSA-N 1 0 302.287 2.373 10 0 DEAERO Cn1cc(CCC[NH2+]CCOC(F)(F)C(F)(F)F)cn1 ZINC000720260830 1089546421 /nfs/dbraw/zinc/54/64/21/1089546421.db2.gz OKOKZYFDUHBQCD-UHFFFAOYSA-N 1 0 301.259 2.114 10 0 DEAERO CCc1nn(C)cc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000700752566 1090731056 /nfs/dbraw/zinc/73/10/56/1090731056.db2.gz SLIVSKUYMZZTOJ-SWLSCSKDSA-N 1 0 322.453 2.470 10 0 DEAERO Cc1nc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cs1 ZINC000076728652 185035822 /nfs/dbraw/zinc/03/58/22/185035822.db2.gz WFITVYGOTNHABK-MRXNPFEDSA-N 1 0 308.495 2.053 10 0 DEAERO C[NH+](C)CCNC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000181078224 282104721 /nfs/dbraw/zinc/10/47/21/282104721.db2.gz VJGBDYNHOKDICU-CYBMUJFWSA-N 1 0 311.813 2.415 10 0 DEAERO CC[NH2+][C@@H](CSCC(=O)OC)c1ccc(OC)cc1OC ZINC000081793161 192323902 /nfs/dbraw/zinc/32/39/02/192323902.db2.gz NGUJIGMVECKJFE-ZDUSSCGKSA-N 1 0 313.419 2.261 10 0 DEAERO CCOC(=O)CSC[C@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000081795633 192324067 /nfs/dbraw/zinc/32/40/67/192324067.db2.gz AOQCCSFAHXLAFG-ZDUSSCGKSA-N 1 0 313.419 2.261 10 0 DEAERO COc1cc(OC)cc([C@H]2CCN(C(=O)C[C@H]3CCC[NH2+]3)C2)c1 ZINC000162206816 197552098 /nfs/dbraw/zinc/55/20/98/197552098.db2.gz JHSJJBQDGBYJOB-DZGCQCFKSA-N 1 0 318.417 2.162 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1Sc1nccn1C)OCCO2 ZINC000081841489 192330315 /nfs/dbraw/zinc/33/03/15/192330315.db2.gz OBHVBFGPDCIZBX-CHWSQXEVSA-N 1 0 311.451 2.176 10 0 DEAERO CCOc1ccc([C@H](C)[NH2+]C)cc1CSc1nnnn1C ZINC000081846080 192332157 /nfs/dbraw/zinc/33/21/57/192332157.db2.gz TYWGWGMRTOBBIJ-JTQLQIEISA-N 1 0 307.423 2.182 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1Sc1ncccn1)OCCO2 ZINC000081871401 192332865 /nfs/dbraw/zinc/33/28/65/192332865.db2.gz OAMNSCFPVOFWHM-QWHCGFSZSA-N 1 0 309.435 2.233 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1Sc1cnccn1)OCCO2 ZINC000081885704 192333803 /nfs/dbraw/zinc/33/38/03/192333803.db2.gz FFRHQGULVYSNPU-STQMWFEESA-N 1 0 309.435 2.233 10 0 DEAERO CC[NH2+][C@@H](CSc1n[nH]c(=O)n1C)c1cc(C)ccc1C ZINC000081880739 192334103 /nfs/dbraw/zinc/33/41/03/192334103.db2.gz MYNXGJGYUNJMJE-ZDUSSCGKSA-N 1 0 306.435 2.168 10 0 DEAERO CCc1ccc([C@@H]([NH3+])[C@@H](C)Sc2n[nH]c(=O)n2CC)cc1 ZINC000081879652 192334546 /nfs/dbraw/zinc/33/45/46/192334546.db2.gz CORUQGROPHWUEW-MFKMUULPSA-N 1 0 306.435 2.334 10 0 DEAERO [NH3+][C@H]1CCC2(C[C@@H]1Sc1ccc(Cl)cn1)OCCO2 ZINC000081895992 192335072 /nfs/dbraw/zinc/33/50/72/192335072.db2.gz JKWIMXJFUALNDW-QWRGUYRKSA-N 1 0 300.811 2.450 10 0 DEAERO C[C@H]([NH2+]CC1(O)CCOCC1)c1ccc(OC(F)F)cc1 ZINC000162586894 197576704 /nfs/dbraw/zinc/57/67/04/197576704.db2.gz RPXYYPGVBGHLGU-NSHDSACASA-N 1 0 301.333 2.480 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccccc1Cl ZINC000081920549 192338893 /nfs/dbraw/zinc/33/88/93/192338893.db2.gz DVSQGTKQZVIJDW-OCCSQVGLSA-N 1 0 317.838 2.271 10 0 DEAERO Brc1ccc(C[NH2+]CCCn2ccnn2)s1 ZINC000163771603 197649184 /nfs/dbraw/zinc/64/91/84/197649184.db2.gz YHNPQECSALGTKU-UHFFFAOYSA-N 1 0 301.213 2.282 10 0 DEAERO CC[NH+](CC)CCN[C@@](C)(C(N)=O)c1ccc(F)cc1Cl ZINC000078900701 185125126 /nfs/dbraw/zinc/12/51/26/185125126.db2.gz KTVMZWZFOFJGIJ-OAHLLOKOSA-N 1 0 315.820 2.111 10 0 DEAERO C[NH2+][C@@H](C)CCCCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935519 192343343 /nfs/dbraw/zinc/34/33/43/192343343.db2.gz OCXXDWPJWLIMQB-LBPRGKRZSA-N 1 0 313.419 2.010 10 0 DEAERO CCC[NH2+][C@@H](C)[C@@H](C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935171 192343372 /nfs/dbraw/zinc/34/33/72/192343372.db2.gz UUXGNSZTZYKAKC-NWDGAFQWSA-N 1 0 313.419 2.008 10 0 DEAERO COc1ccnc(N2CC[NH+](CCCSCC(C)C)CC2)n1 ZINC000152517471 282146907 /nfs/dbraw/zinc/14/69/07/282146907.db2.gz LUIIJRDBYBZWBX-UHFFFAOYSA-N 1 0 324.494 2.387 10 0 DEAERO CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1S(=O)(=O)CCOC ZINC000081944060 192344641 /nfs/dbraw/zinc/34/46/41/192344641.db2.gz SBBSRDIVTLGXEX-MJBXVCDLSA-N 1 0 305.484 2.241 10 0 DEAERO C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC000164766123 197663203 /nfs/dbraw/zinc/66/32/03/197663203.db2.gz SVSHUASCZYUXJG-GXSJLCMTSA-N 1 0 322.352 2.124 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(Sc3nc[nH]n3)cc2)CCC[NH2+]1 ZINC000079515578 185173760 /nfs/dbraw/zinc/17/37/60/185173760.db2.gz FXQFBCNYUIAFDY-AWEZNQCLSA-N 1 0 303.391 2.037 10 0 DEAERO C[N@@H+]1CCC[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000082311403 185174943 /nfs/dbraw/zinc/17/49/43/185174943.db2.gz HQQIMFHWPCZYFC-INIZCTEOSA-N 1 0 301.434 2.067 10 0 DEAERO Cn1ccc2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000082359031 185177751 /nfs/dbraw/zinc/17/77/51/185177751.db2.gz ZBIMXYVMCUXSIQ-UHFFFAOYSA-N 1 0 307.401 2.291 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccc(Br)s1 ZINC000082921083 185209503 /nfs/dbraw/zinc/20/95/03/185209503.db2.gz MNJDQEPFPCQQIJ-RKDXNWHRSA-N 1 0 303.225 2.254 10 0 DEAERO CCC[NH2+][C@@H](CO)CSc1ccc(Br)cn1 ZINC000082905403 185209517 /nfs/dbraw/zinc/20/95/17/185209517.db2.gz NXNNLUUGXNRIKT-JTQLQIEISA-N 1 0 305.241 2.297 10 0 DEAERO [NH3+][C@@H](c1cc(Cl)sc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000082998654 185210794 /nfs/dbraw/zinc/21/07/94/185210794.db2.gz SGUFCVBSFXMDCE-YLWLKBPMSA-N 1 0 300.232 2.489 10 0 DEAERO O=c1[nH]ccnc1N1CCC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000328632208 231268741 /nfs/dbraw/zinc/26/87/41/231268741.db2.gz LDQFLVPQELQYKF-AWEZNQCLSA-N 1 0 323.400 2.422 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N[C@H](CC)C[NH3+] ZINC000087385562 185223338 /nfs/dbraw/zinc/22/33/38/185223338.db2.gz RLDORHIZKWEXLX-SNVBAGLBSA-N 1 0 302.216 2.128 10 0 DEAERO CC[C@H](C[NH3+])NC(=O)c1cc(Br)cn1C(C)C ZINC000087385777 185223394 /nfs/dbraw/zinc/22/33/94/185223394.db2.gz AHGONAOQNWHJBK-SNVBAGLBSA-N 1 0 302.216 2.299 10 0 DEAERO CC[C@@H](C[NH3+])NC(=O)c1cc(Br)cn1C(C)C ZINC000087385775 185223397 /nfs/dbraw/zinc/22/33/97/185223397.db2.gz AHGONAOQNWHJBK-JTQLQIEISA-N 1 0 302.216 2.299 10 0 DEAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000087404429 185223738 /nfs/dbraw/zinc/22/37/38/185223738.db2.gz PXXCOTYZQZIMLJ-SNVBAGLBSA-N 1 0 310.341 2.111 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(c2cc[nH+]cc2N)C1 ZINC000087493462 185226653 /nfs/dbraw/zinc/22/66/53/185226653.db2.gz OYVHBKYSQSWGEV-NEPJUHHUSA-N 1 0 306.410 2.403 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000173259829 282189998 /nfs/dbraw/zinc/18/99/98/282189998.db2.gz NWOQYGDRNDTTLC-ZDUSSCGKSA-N 1 0 320.481 2.205 10 0 DEAERO COc1ccc(Br)c(CC2(O)CC[NH2+]CC2)c1 ZINC000087790766 185232112 /nfs/dbraw/zinc/23/21/12/185232112.db2.gz NLOYYBRVTJVXSX-UHFFFAOYSA-N 1 0 300.196 2.115 10 0 DEAERO COc1ccc(Br)c(C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000087790768 185232156 /nfs/dbraw/zinc/23/21/56/185232156.db2.gz OCQYXIZJDFQPRI-ZDUSSCGKSA-N 1 0 300.196 2.067 10 0 DEAERO CCOC(=O)c1c(NC(=O)[C@@H](CC)C[NH3+])sc2c1CCC2 ZINC000087532443 185227772 /nfs/dbraw/zinc/22/77/72/185227772.db2.gz HLDAXYNHSIPDLD-VIFPVBQESA-N 1 0 310.419 2.337 10 0 DEAERO CC(C)[C@H]([NH3+])CS(=O)(=O)c1ccccc1Br ZINC000087539923 185228159 /nfs/dbraw/zinc/22/81/59/185228159.db2.gz PFKVKHMCPQFQPF-SNVBAGLBSA-N 1 0 306.225 2.206 10 0 DEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000087694881 185230675 /nfs/dbraw/zinc/23/06/75/185230675.db2.gz ANXDPYIKFZMFQL-VXGBXAGGSA-N 1 0 312.435 2.182 10 0 DEAERO C[C@@H]([NH2+]C(CO)CO)c1cc2cc(Br)ccc2o1 ZINC000087750387 185231561 /nfs/dbraw/zinc/23/15/61/185231561.db2.gz SYAWGANHRUOLAR-MRVPVSSYSA-N 1 0 314.179 2.199 10 0 DEAERO COc1ccc(C[C@@](C)(C[NH3+])[C@H](C)O)cc1Br ZINC000087932042 185237693 /nfs/dbraw/zinc/23/76/93/185237693.db2.gz YVXXWCNDOKPNRU-ZANVPECISA-N 1 0 302.212 2.346 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)[C@@H]1COc2ccccc2C1 ZINC000088021718 185237895 /nfs/dbraw/zinc/23/78/95/185237895.db2.gz GJAXBWARSKLAER-LSDHHAIUSA-N 1 0 311.447 2.041 10 0 DEAERO COc1ccc(C[S@](=O)C[C@H](C)[NH3+])cc1Br ZINC000088069716 185238641 /nfs/dbraw/zinc/23/86/41/185238641.db2.gz URKQSTQJHXDJER-PWJLMRLQSA-N 1 0 306.225 2.054 10 0 DEAERO C[C@@H]([NH3+])CCS(=O)(=O)Cc1ccccc1Br ZINC000088077455 185238820 /nfs/dbraw/zinc/23/88/20/185238820.db2.gz UBNSZGBMIGFOAP-SECBINFHSA-N 1 0 306.225 2.101 10 0 DEAERO CCC[NH2+][C@@H](c1occc1Br)[C@H]1COCCO1 ZINC000087858740 185233836 /nfs/dbraw/zinc/23/38/36/185233836.db2.gz CMVYTIVPLXVIRD-GHMZBOCLSA-N 1 0 304.184 2.498 10 0 DEAERO C[C@H](N(C)c1nc(NN)[nH+]cc1Br)C(C)(C)C ZINC000087867043 185233893 /nfs/dbraw/zinc/23/38/93/185233893.db2.gz GSXYZYBLFGXMBT-ZETCQYMHSA-N 1 0 302.220 2.396 10 0 DEAERO COc1ccc(Oc2nc(NN)[nH+]cc2Br)cc1 ZINC000087883949 185234317 /nfs/dbraw/zinc/23/43/17/185234317.db2.gz UEECYBVLZRXJBK-UHFFFAOYSA-N 1 0 311.139 2.326 10 0 DEAERO NNc1nc(NCc2ccc(Br)s2)cc[nH+]1 ZINC000087880150 185234349 /nfs/dbraw/zinc/23/43/49/185234349.db2.gz ZSYACJQXJHZNQH-UHFFFAOYSA-N 1 0 300.185 2.198 10 0 DEAERO O=C(C[C@H]1CCCCNC1=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000328867724 231370936 /nfs/dbraw/zinc/37/09/36/231370936.db2.gz OKKXBJVGHIKLAK-HZPDHXFCSA-N 1 0 321.465 2.468 10 0 DEAERO Cc1ccnc(Cl)c1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000088189074 185241188 /nfs/dbraw/zinc/24/11/88/185241188.db2.gz GNJKYPILQVTUQA-LBPRGKRZSA-N 1 0 305.765 2.258 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000175731438 282196344 /nfs/dbraw/zinc/19/63/44/282196344.db2.gz AVJCUJHWLPKEKA-WBVHZDCISA-N 1 0 309.498 2.440 10 0 DEAERO [NH3+][C@H]1CCN(c2c3nsnc3c(Cl)cc2Cl)C1=O ZINC000088120632 185240033 /nfs/dbraw/zinc/24/00/33/185240033.db2.gz SGEYOVNGTSOUIE-LURJTMIESA-N 1 0 303.174 2.062 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000176381628 282198900 /nfs/dbraw/zinc/19/89/00/282198900.db2.gz UBMJVBXLNLDZSJ-INIZCTEOSA-N 1 0 311.385 2.070 10 0 DEAERO CC[C@@H](C[NH3+])S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000088472913 185252430 /nfs/dbraw/zinc/25/24/30/185252430.db2.gz HZFNVMMCUBUORN-QMMMGPOBSA-N 1 0 314.304 2.324 10 0 DEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N(C)CCC(F)(F)F ZINC000088419128 185249429 /nfs/dbraw/zinc/24/94/29/185249429.db2.gz VYXLDRLPTNEOET-UHFFFAOYSA-N 1 0 310.341 2.027 10 0 DEAERO CCC[NH2+][C@](CO)(CN1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088439654 185250790 /nfs/dbraw/zinc/25/07/90/185250790.db2.gz KFWUETAQONPTRN-KBPBESRZSA-N 1 0 308.388 2.401 10 0 DEAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1cnc(Br)cn1 ZINC000088446420 185251317 /nfs/dbraw/zinc/25/13/17/185251317.db2.gz MKLMPDGNJDVKBZ-VIFPVBQESA-N 1 0 313.199 2.100 10 0 DEAERO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)NC)o2)C1 ZINC000088540923 185255630 /nfs/dbraw/zinc/25/56/30/185255630.db2.gz PCAUOBYMZWBHIR-VXGBXAGGSA-N 1 0 300.424 2.246 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)o1 ZINC000088543356 185256494 /nfs/dbraw/zinc/25/64/94/185256494.db2.gz GTFUJITYHFABLH-BETUJISGSA-N 1 0 314.451 2.444 10 0 DEAERO CC[NH2+][C@H](Cc1ncnn1C)Cc1cccc(Br)c1 ZINC000088581823 185258570 /nfs/dbraw/zinc/25/85/70/185258570.db2.gz ZEOQOONNMNEGGM-ZDUSSCGKSA-N 1 0 323.238 2.341 10 0 DEAERO CCn1ncnc1C[C@@H](C[NH3+])Cc1ccc(Br)cc1 ZINC000088619973 185260143 /nfs/dbraw/zinc/26/01/43/185260143.db2.gz WQOWCZDCVRFCPT-LBPRGKRZSA-N 1 0 323.238 2.421 10 0 DEAERO CCn1ncnc1C[C@H](C[NH3+])Cc1ccc(Br)cc1 ZINC000088619971 185260177 /nfs/dbraw/zinc/26/01/77/185260177.db2.gz WQOWCZDCVRFCPT-GFCCVEGCSA-N 1 0 323.238 2.421 10 0 DEAERO CCOC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CCSc2ccccc21 ZINC000088658292 185261874 /nfs/dbraw/zinc/26/18/74/185261874.db2.gz OCTVGCYMEIEBNV-KGLIPLIRSA-N 1 0 306.431 2.060 10 0 DEAERO CC[NH2+]Cc1nnc(-c2ccc(OC)c(OC)c2OC)s1 ZINC000088813665 185266315 /nfs/dbraw/zinc/26/63/15/185266315.db2.gz MJXARDAXYLOAMN-UHFFFAOYSA-N 1 0 309.391 2.340 10 0 DEAERO CC[C@@H]([NH2+]C)c1nnc(-c2ccc(S(C)(=O)=O)cc2)s1 ZINC000088824638 185266596 /nfs/dbraw/zinc/26/65/96/185266596.db2.gz RCQKVMKARASKLP-LLVKDONJSA-N 1 0 311.432 2.279 10 0 DEAERO CCC(C)(C)[C@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)CCCOC)C1 ZINC000081986381 192349761 /nfs/dbraw/zinc/34/97/61/192349761.db2.gz LRHZHTUOBBUMSL-MELADBBJSA-N 1 0 305.484 2.370 10 0 DEAERO CC[C@@H](CS(=O)(=O)c1cccc(Br)c1)[NH2+]C ZINC000081982829 192350022 /nfs/dbraw/zinc/35/00/22/192350022.db2.gz ULRBSCYOCUICFV-JTQLQIEISA-N 1 0 306.225 2.221 10 0 DEAERO CCc1ccc([C@H](CS(=O)(=O)C2CCOCC2)[NH2+]C)cc1 ZINC000081990529 192350430 /nfs/dbraw/zinc/35/04/30/192350430.db2.gz PRAUOYSEELHHLT-INIZCTEOSA-N 1 0 311.447 2.103 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)c1ccccc1OC)c1ccccc1 ZINC000081987942 192351051 /nfs/dbraw/zinc/35/10/51/192351051.db2.gz WLEZHCSNVMKFTB-AWEZNQCLSA-N 1 0 305.399 2.430 10 0 DEAERO CC[NH2+][C@@H]1CCCCCC[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081990070 192351150 /nfs/dbraw/zinc/35/11/50/192351150.db2.gz MWCRVSOHRPCKPB-CABCVRRESA-N 1 0 303.468 2.281 10 0 DEAERO C[NH+](C)C1(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)CC1 ZINC000613123402 362010055 /nfs/dbraw/zinc/01/00/55/362010055.db2.gz PBCOQYQRXWNSGS-CYBMUJFWSA-N 1 0 305.397 2.005 10 0 DEAERO [NH3+][C@@H](C[S@@](=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000082001209 192353241 /nfs/dbraw/zinc/35/32/41/192353241.db2.gz KHSQXXOSPLWHSI-QKKBWIMNSA-N 1 0 303.383 2.265 10 0 DEAERO CN1CCO[C@H](C[NH3+])[C@@H]1c1cc(Cl)ccc1Br ZINC000090250734 185288152 /nfs/dbraw/zinc/28/81/52/185288152.db2.gz XSZMFIAPVHMZBN-NEPJUHHUSA-N 1 0 319.630 2.433 10 0 DEAERO CC(C)C[C@@](C)(O)C[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000090270328 185288619 /nfs/dbraw/zinc/28/86/19/185288619.db2.gz HWVDTGMZWVAVBL-GOEBONIOSA-N 1 0 311.447 2.292 10 0 DEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000090272395 185288887 /nfs/dbraw/zinc/28/88/87/185288887.db2.gz QMWSMAIDRATXLO-UKRRQHHQSA-N 1 0 301.452 2.012 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000090293218 185289810 /nfs/dbraw/zinc/28/98/10/185289810.db2.gz RTSSNHVWWWZYSV-UHFFFAOYSA-N 1 0 304.415 2.212 10 0 DEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)Cc1ccc(Br)cc1 ZINC000090325374 185291089 /nfs/dbraw/zinc/29/10/89/185291089.db2.gz ADWPVMYHOXJDOO-QKCSRTOESA-N 1 0 323.234 2.058 10 0 DEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1csc(-c2ccccn2)n1 ZINC000090327665 185291413 /nfs/dbraw/zinc/29/14/13/185291413.db2.gz GEEGDZAUVWVWDC-YRGRVCCFSA-N 1 0 300.431 2.245 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1Cc1nc(-c2ccsc2)no1 ZINC000090338334 185291831 /nfs/dbraw/zinc/29/18/31/185291831.db2.gz NHWFELTXSSAQBI-RYUDHWBXSA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1Cc1nc(-c2ccsc2)no1 ZINC000090338332 185291953 /nfs/dbraw/zinc/29/19/53/185291953.db2.gz NHWFELTXSSAQBI-NEPJUHHUSA-N 1 0 304.419 2.228 10 0 DEAERO C[C@H](CC[NH3+])SCC(=O)NCCc1cccc(Cl)c1 ZINC000090354921 185292358 /nfs/dbraw/zinc/29/23/58/185292358.db2.gz XEGFDCGLECFODB-LLVKDONJSA-N 1 0 300.855 2.469 10 0 DEAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000090379212 185293705 /nfs/dbraw/zinc/29/37/05/185293705.db2.gz IKFPSKSMKGYSNV-APPZFPTMSA-N 1 0 319.586 2.015 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000090379193 185293761 /nfs/dbraw/zinc/29/37/61/185293761.db2.gz ZRDGCLNFWHXERL-XVKPBYJWSA-N 1 0 308.687 2.271 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1c1nnc2c(Cl)cc(C(F)(F)F)cn21 ZINC000090422878 185295450 /nfs/dbraw/zinc/29/54/50/185295450.db2.gz NSMFZTCINKYEPI-APPZFPTMSA-N 1 0 320.702 2.103 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000090434944 185296061 /nfs/dbraw/zinc/29/60/61/185296061.db2.gz BCLISUWPEZZWAG-CABCVRRESA-N 1 0 308.809 2.065 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1CN(C)Cc1csc(Br)c1 ZINC000090438871 185296722 /nfs/dbraw/zinc/29/67/22/185296722.db2.gz SKUHFFIWKCZFGR-GHMZBOCLSA-N 1 0 319.268 2.177 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(SC(F)F)cc2)COC[C@H]1[NH3+] ZINC000090585433 185305107 /nfs/dbraw/zinc/30/51/07/185305107.db2.gz IXXBDEMFALRKIZ-ZWNOBZJWSA-N 1 0 302.346 2.304 10 0 DEAERO C[C@]1(C(=O)Nc2cccc(-c3nccs3)c2)COC[C@@H]1[NH3+] ZINC000090589982 185305491 /nfs/dbraw/zinc/30/54/91/185305491.db2.gz GNVZRIPFQMFDHV-WFASDCNBSA-N 1 0 303.387 2.112 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(Cl)c3ncccc23)COC[C@H]1[NH3+] ZINC000090588954 185305583 /nfs/dbraw/zinc/30/55/83/185305583.db2.gz FMFDPSNHDSRVHH-DOMZBBRYSA-N 1 0 305.765 2.191 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000090542039 185301876 /nfs/dbraw/zinc/30/18/76/185301876.db2.gz JUFBMIFDUHRGCZ-RBSFLKMASA-N 1 0 308.447 2.426 10 0 DEAERO CCN1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1cncc(Br)c1 ZINC000166715599 197697912 /nfs/dbraw/zinc/69/79/12/197697912.db2.gz LOLNFSQQOIMVKC-YPMHNXCESA-N 1 0 312.211 2.245 10 0 DEAERO C[C@]1(c2nc(Cc3ccc(F)cc3Cl)no2)COC[C@@H]1[NH3+] ZINC000090573787 185304322 /nfs/dbraw/zinc/30/43/22/185304322.db2.gz MQGCAMZQXGNLPF-FZMZJTMJSA-N 1 0 311.744 2.068 10 0 DEAERO C[C@]1(c2nc(Cc3c(F)cccc3Cl)no2)COC[C@@H]1[NH3+] ZINC000090573782 185304444 /nfs/dbraw/zinc/30/44/44/185304444.db2.gz YVBGWNFJFVYUKN-FZMZJTMJSA-N 1 0 311.744 2.068 10 0 DEAERO C[NH2+][C@@H]1CCCCCC[C@H]1S(=O)(=O)CC(=O)OC(C)(C)C ZINC000166863961 197700032 /nfs/dbraw/zinc/70/00/32/197700032.db2.gz ODFXJGVMPGQQPI-CHWSQXEVSA-N 1 0 319.467 2.054 10 0 DEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccc(F)cc1F ZINC000090700056 185310583 /nfs/dbraw/zinc/31/05/83/185310583.db2.gz JQNDKQMYLLEORQ-GFCCVEGCSA-N 1 0 314.401 2.474 10 0 DEAERO O=C(CSCC1C[NH2+]C1)Nc1ncc(Cl)cc1Cl ZINC000090712363 185311141 /nfs/dbraw/zinc/31/11/41/185311141.db2.gz CXNLCNUUVVTIND-UHFFFAOYSA-N 1 0 306.218 2.280 10 0 DEAERO CCC[NH2+]CC1CCN(c2ncncc2Br)CC1 ZINC000090782563 185311753 /nfs/dbraw/zinc/31/17/53/185311753.db2.gz WDRAETWBJZOWDR-UHFFFAOYSA-N 1 0 313.243 2.455 10 0 DEAERO O=C(N1CC=C(C(F)(F)F)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000167188059 197704549 /nfs/dbraw/zinc/70/45/49/197704549.db2.gz SYAZERMUDKZXHY-SNVBAGLBSA-N 1 0 316.245 2.249 10 0 DEAERO CCCn1cc(Cl)cc1C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000167254983 197705494 /nfs/dbraw/zinc/70/54/94/197705494.db2.gz YFYZKLXFTJSAHI-STQMWFEESA-N 1 0 313.829 2.130 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+]C1CCS(=O)(=O)CC1)CCC2 ZINC000092383593 185315221 /nfs/dbraw/zinc/31/52/21/185315221.db2.gz RMWJWCOPDSOBKF-INIZCTEOSA-N 1 0 309.431 2.239 10 0 DEAERO CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1S(=O)(=O)C(C)C ZINC000092388713 185315388 /nfs/dbraw/zinc/31/53/88/185315388.db2.gz LTHAXVYQLVLWGJ-HOTGVXAUSA-N 1 0 311.447 2.484 10 0 DEAERO C[C@@H](CC[NH3+])S(=O)(=O)Cc1cc(Br)ccc1F ZINC000166995889 197702257 /nfs/dbraw/zinc/70/22/57/197702257.db2.gz UIVXPFOKNVXVJN-QMMMGPOBSA-N 1 0 324.215 2.240 10 0 DEAERO Cc1c(C(=O)N2CCC([NH+]3CCCC3)CC2)cnn1C(C)C ZINC000092394450 185315723 /nfs/dbraw/zinc/31/57/23/185315723.db2.gz GVPQQBZDMBLQLB-UHFFFAOYSA-N 1 0 304.438 2.473 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000092394789 185316048 /nfs/dbraw/zinc/31/60/48/185316048.db2.gz NUBNRGAFSQNSJD-YGRLFVJLSA-N 1 0 322.232 2.340 10 0 DEAERO CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CC[C@H](C)O3)c2)CC1 ZINC000184258644 282249910 /nfs/dbraw/zinc/24/99/10/282249910.db2.gz IOISASWDBOEKRO-WMLDXEAASA-N 1 0 317.433 2.335 10 0 DEAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc2nc(N)sc2c1 ZINC000092628651 185330544 /nfs/dbraw/zinc/33/05/44/185330544.db2.gz RCJGAFKDVPCCMU-LLVKDONJSA-N 1 0 304.419 2.045 10 0 DEAERO CC[NH+](CC)CCOc1cc2c(cc1Cl)[C@@H](NC)C(=O)N2 ZINC000092770038 185339407 /nfs/dbraw/zinc/33/94/07/185339407.db2.gz UYFKBXOJARYQGW-CQSZACIVSA-N 1 0 311.813 2.273 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccccn23)C12CCOCC2 ZINC000185663377 282264153 /nfs/dbraw/zinc/26/41/53/282264153.db2.gz NKCGHIYWHBMHIR-HZPDHXFCSA-N 1 0 315.417 2.398 10 0 DEAERO CC1(C)C(CNS(=O)(=O)c2ccc(C[NH3+])s2)C1(C)C ZINC000092820282 185343829 /nfs/dbraw/zinc/34/38/29/185343829.db2.gz CITWIAGKLVMAFW-UHFFFAOYSA-N 1 0 302.465 2.167 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1C[NH3+] ZINC000092833239 185344928 /nfs/dbraw/zinc/34/49/28/185344928.db2.gz RNTMGKDMJVPGJT-UHFFFAOYSA-N 1 0 310.463 2.475 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)C1 ZINC000180504855 282263888 /nfs/dbraw/zinc/26/38/88/282263888.db2.gz IUELRZGDUIMNGD-JTQLQIEISA-N 1 0 302.296 2.187 10 0 DEAERO [NH3+][C@H]1CCCO[C@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000092888735 185348103 /nfs/dbraw/zinc/34/81/03/185348103.db2.gz APIKHXHQYSTUTI-JQWIXIFHSA-N 1 0 314.179 2.399 10 0 DEAERO CCOc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000092928340 185349539 /nfs/dbraw/zinc/34/95/39/185349539.db2.gz IHCLBCXFWTWODS-JSGCOSHPSA-N 1 0 304.394 2.181 10 0 DEAERO CC(C)N(CC[C@@](O)(C[NH3+])c1ccccc1)CC(F)(F)F ZINC000168481992 197723916 /nfs/dbraw/zinc/72/39/16/197723916.db2.gz YCZAZBQINOYJFV-CQSZACIVSA-N 1 0 304.356 2.496 10 0 DEAERO CC1(NS(=O)(=O)c2cc(Cl)cc(C[NH3+])c2Cl)CC1 ZINC000168556801 197724940 /nfs/dbraw/zinc/72/49/40/197724940.db2.gz WLIPLMDTHHNDFS-UHFFFAOYSA-N 1 0 309.218 2.283 10 0 DEAERO CCOc1oc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)nc1C ZINC000330258092 231761567 /nfs/dbraw/zinc/76/15/67/231761567.db2.gz MDVAYPODJVGPNU-CYBMUJFWSA-N 1 0 307.394 2.082 10 0 DEAERO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cc2ccccc2)C[C@@H](C)O1 ZINC000021055178 539330554 /nfs/dbraw/zinc/33/05/54/539330554.db2.gz GQPZJPSDPJGYDJ-HUUCEWRRSA-N 1 0 304.434 2.233 10 0 DEAERO CN(C[C@@H]1CCCO1)c1cccc(Br)c1C(N)=[NH2+] ZINC000168933156 197731806 /nfs/dbraw/zinc/73/18/06/197731806.db2.gz SWGYDYKYXDSWPN-VIFPVBQESA-N 1 0 312.211 2.348 10 0 DEAERO C(C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)OC1CCOCC1 ZINC000625460019 365795972 /nfs/dbraw/zinc/79/59/72/365795972.db2.gz VLFAVDJUYZCHEW-SJORKVTESA-N 1 0 309.450 2.463 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000187892260 282293827 /nfs/dbraw/zinc/29/38/27/282293827.db2.gz QTMJXQOZBMNPNZ-UHFFFAOYSA-N 1 0 321.396 2.072 10 0 DEAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cn3ccnc3s2)C1 ZINC000188392610 282299217 /nfs/dbraw/zinc/29/92/17/282299217.db2.gz FKOQXFAIUZOARX-GFCCVEGCSA-N 1 0 306.435 2.246 10 0 DEAERO C[C@@H]1CCC[C@](CNC(=O)N(C)C[C@@H]2CCCO2)([NH+](C)C)C1 ZINC000102904549 185425376 /nfs/dbraw/zinc/42/53/76/185425376.db2.gz XNUPXNYVBOLBGF-VYDXJSESSA-N 1 0 311.470 2.317 10 0 DEAERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CCSC)CC1 ZINC000190351762 282318810 /nfs/dbraw/zinc/31/88/10/282318810.db2.gz JUHIPKCRBDVMDL-UHFFFAOYSA-N 1 0 316.511 2.477 10 0 DEAERO CN(C[C@H]1CC=CCC1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440996742 529962621 /nfs/dbraw/zinc/96/26/21/529962621.db2.gz ZJYZGNRUSRZMET-INIZCTEOSA-N 1 0 322.497 2.010 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1F ZINC000194721502 530063683 /nfs/dbraw/zinc/06/36/83/530063683.db2.gz YCRREYDLEOBWJZ-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO CCOc1ccc([C@H](C)NC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000091135313 539418164 /nfs/dbraw/zinc/41/81/64/539418164.db2.gz BMTXKTMHANMIGM-JSGCOSHPSA-N 1 0 308.447 2.358 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC1(C)C[NH2+]C1 ZINC000098060428 539435881 /nfs/dbraw/zinc/43/58/81/539435881.db2.gz NLTGRTKSYUPYTA-UHFFFAOYSA-N 1 0 317.216 2.330 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C(C)C)nn1C ZINC000245407906 282385586 /nfs/dbraw/zinc/38/55/86/282385586.db2.gz DNFBFPVLJQOERT-KGLIPLIRSA-N 1 0 304.438 2.242 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@H]1CC ZINC000245418277 282385862 /nfs/dbraw/zinc/38/58/62/282385862.db2.gz AQLXWNAVKRYEGJ-NCOADZHNSA-N 1 0 308.466 2.382 10 0 DEAERO CCO[C@H](C)c1noc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)n1 ZINC000245419498 282385941 /nfs/dbraw/zinc/38/59/41/282385941.db2.gz HBTCZFACQDWLMQ-BFHYXJOUSA-N 1 0 310.442 2.329 10 0 DEAERO CCn1nccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120909203 539453587 /nfs/dbraw/zinc/45/35/87/539453587.db2.gz PBEYUENTYJQSMJ-UHFFFAOYSA-N 1 0 310.405 2.325 10 0 DEAERO CO[C@]1(C)C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1(C)C ZINC000245481909 282391227 /nfs/dbraw/zinc/39/12/27/282391227.db2.gz CVJNBOFXBANWPT-QDEZUTFSSA-N 1 0 311.470 2.314 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC2CCCCC2)CC1 ZINC000108535564 185520994 /nfs/dbraw/zinc/52/09/94/185520994.db2.gz ZMIUKVRDWYMBJQ-QGZVFWFLSA-N 1 0 322.497 2.131 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(Cl)cc2Cl)C[C@H]1C ZINC000245555988 282396608 /nfs/dbraw/zinc/39/66/08/282396608.db2.gz CZAQFHWZWGIBEG-MNOVXSKESA-N 1 0 318.248 2.275 10 0 DEAERO CN1C(=O)C[C@@H]([NH2+]Cc2cncnc2)[C@H]1c1ccc(Cl)cc1 ZINC000125224433 539471824 /nfs/dbraw/zinc/47/18/24/539471824.db2.gz WRMKKOJMVFVDEL-GDBMZVCRSA-N 1 0 316.792 2.192 10 0 DEAERO O=C(NC[C@@H]1CCC[N@H+](Cc2cncnc2)C1)c1ccccc1 ZINC000127305327 539482064 /nfs/dbraw/zinc/48/20/64/539482064.db2.gz QWTIRAPXLJQDBZ-HNNXBMFYSA-N 1 0 310.401 2.119 10 0 DEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000111267481 185568514 /nfs/dbraw/zinc/56/85/14/185568514.db2.gz DKXLFPQTIWPSBX-CMPLNLGQSA-N 1 0 304.781 2.320 10 0 DEAERO Brc1ccccc1C1(CNC2=[NH+]CCCN2)CC1 ZINC000170638322 197797313 /nfs/dbraw/zinc/79/73/13/197797313.db2.gz RXKAWPHJWKPZQX-UHFFFAOYSA-N 1 0 308.223 2.420 10 0 DEAERO CC(C)C[C@H](C[NH3+])Nc1ccccc1S(=O)(=O)NC(C)C ZINC000111377216 185590731 /nfs/dbraw/zinc/59/07/31/185590731.db2.gz NWCJBRURPXKHCQ-CYBMUJFWSA-N 1 0 313.467 2.159 10 0 DEAERO C[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1C ZINC000111714997 185629742 /nfs/dbraw/zinc/62/97/42/185629742.db2.gz KRPDGOIUIPBFLM-TZMCWYRMSA-N 1 0 314.426 2.285 10 0 DEAERO O=S(=O)(C1CCCCC1)N1CCC(C[NH2+]C2CC2)CC1 ZINC000111719013 185630643 /nfs/dbraw/zinc/63/06/43/185630643.db2.gz AIEOPYLLYYBUBD-UHFFFAOYSA-N 1 0 300.468 2.113 10 0 DEAERO CC[NH2+]C[C@@H]1CCCN(S(=O)(=O)CC2CCCCC2)C1 ZINC000111719351 185630846 /nfs/dbraw/zinc/63/08/46/185630846.db2.gz NYQVLGBKTYQJEG-HNNXBMFYSA-N 1 0 302.484 2.218 10 0 DEAERO O=S(=O)(C1CCCCC1)N1CCCC[C@H]1C[NH2+]C1CC1 ZINC000111720890 185631589 /nfs/dbraw/zinc/63/15/89/185631589.db2.gz CLIJBELBKOLVEJ-AWEZNQCLSA-N 1 0 300.468 2.255 10 0 DEAERO c1ccc2c(c1)cccc2C[NH+]1CCN(c2nccnn2)CC1 ZINC000625636841 365856585 /nfs/dbraw/zinc/85/65/85/365856585.db2.gz YLGWDPYPVFPLDF-UHFFFAOYSA-N 1 0 305.385 2.347 10 0 DEAERO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000279675418 215051920 /nfs/dbraw/zinc/05/19/20/215051920.db2.gz IHSMXJGDFJEOPK-INIZCTEOSA-N 1 0 312.417 2.220 10 0 DEAERO CCN(CCc1nccs1)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000159000547 539580089 /nfs/dbraw/zinc/58/00/89/539580089.db2.gz LARCDFBIHITYKT-CYBMUJFWSA-N 1 0 310.467 2.201 10 0 DEAERO CN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc2ccccc21 ZINC000123881988 185852050 /nfs/dbraw/zinc/85/20/50/185852050.db2.gz QKEWLFDGDLJSAJ-UHFFFAOYSA-N 1 0 304.415 2.212 10 0 DEAERO C[C@@H](C(=O)Cc1cc(Br)cc2c1OCC2)[C@H](C)[NH3+] ZINC000126628072 185879626 /nfs/dbraw/zinc/87/96/26/185879626.db2.gz STDVVKBBIRVOFZ-BDAKNGLRSA-N 1 0 312.207 2.479 10 0 DEAERO COc1cc(CC[NH3+])cc(Br)c1O[C@H]1CCOC1 ZINC000070072600 190855024 /nfs/dbraw/zinc/85/50/24/190855024.db2.gz CYVPQKZWSZCOIQ-JTQLQIEISA-N 1 0 316.195 2.127 10 0 DEAERO C[C@H]1CCC[C@H](C[NH3+])N1S(=O)(=O)c1cccc(Cl)c1 ZINC000070153538 190863778 /nfs/dbraw/zinc/86/37/78/190863778.db2.gz HMRJBWUKEQMHNS-CMPLNLGQSA-N 1 0 302.827 2.230 10 0 DEAERO COCCN1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1ccc(SC)cc1 ZINC000070296662 190878841 /nfs/dbraw/zinc/87/88/41/190878841.db2.gz GAUHHBAHHRFMMT-ZBFHGGJFSA-N 1 0 308.447 2.436 10 0 DEAERO C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)C(C)(C)C ZINC000176059747 539625447 /nfs/dbraw/zinc/62/54/47/539625447.db2.gz WRJSFEHRKJIXOM-LLVKDONJSA-N 1 0 320.437 2.403 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)c2coc(Br)c2)C[N@@H+]1C1CC1 ZINC000177185281 539629397 /nfs/dbraw/zinc/62/93/97/539629397.db2.gz PYCPSSTWRRXZDF-WCBMZHEXSA-N 1 0 313.195 2.397 10 0 DEAERO CC(C)OC1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000179136716 539638850 /nfs/dbraw/zinc/63/88/50/539638850.db2.gz HKEHFHVSGLIKNG-HWOWSKLDSA-N 1 0 309.454 2.212 10 0 DEAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000179178449 539639677 /nfs/dbraw/zinc/63/96/77/539639677.db2.gz JIAIZBOPQQDNPB-ZIAGYGMSSA-N 1 0 303.324 2.066 10 0 DEAERO COCc1cc(N2CCC[NH2+]CC2)nc(-c2cccc(F)c2)n1 ZINC000070451928 190894769 /nfs/dbraw/zinc/89/47/69/190894769.db2.gz PDYDUFJJBZCXKY-UHFFFAOYSA-N 1 0 316.380 2.229 10 0 DEAERO CN(CC[NH2+]C1(C(N)=O)CCCCC1)Cc1ccc(F)cc1 ZINC000181768632 539653305 /nfs/dbraw/zinc/65/33/05/539653305.db2.gz DLTFQMILATWCAR-UHFFFAOYSA-N 1 0 307.413 2.035 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000183086007 539659850 /nfs/dbraw/zinc/65/98/50/539659850.db2.gz BZRYMLYOFFBXPX-IUODEOHRSA-N 1 0 310.825 2.156 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000183224041 539660126 /nfs/dbraw/zinc/66/01/26/539660126.db2.gz BHWHWLNAAIVXTN-BFQNTYOBSA-N 1 0 304.390 2.373 10 0 DEAERO C[C@H](CC[NH2+]C1CC1)n1cc(I)cn1 ZINC000070678857 190911066 /nfs/dbraw/zinc/91/10/66/190911066.db2.gz QLHIOZCCZIZCJH-MRVPVSSYSA-N 1 0 305.163 2.191 10 0 DEAERO CNC(=O)[C@H]([NH2+]Cc1cc(F)cc(Br)c1)C(C)C ZINC000183672054 539664265 /nfs/dbraw/zinc/66/42/65/539664265.db2.gz FSJMBCIFUKWIGO-GFCCVEGCSA-N 1 0 317.202 2.448 10 0 DEAERO CSc1nc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2s1 ZINC000130173145 185943613 /nfs/dbraw/zinc/94/36/13/185943613.db2.gz OHCVSSZPNBBEPX-SNVBAGLBSA-N 1 0 323.443 2.335 10 0 DEAERO Cc1c(C(=O)NCCCCC(F)(F)F)cnn1CCC[NH3+] ZINC000130230454 185947767 /nfs/dbraw/zinc/94/77/67/185947767.db2.gz QFSQPQNNUIFPAW-UHFFFAOYSA-N 1 0 306.332 2.003 10 0 DEAERO C[NH+](C)C1CCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000193812715 539715234 /nfs/dbraw/zinc/71/52/34/539715234.db2.gz XUVOYINSWIVJAL-AWEZNQCLSA-N 1 0 312.841 2.106 10 0 DEAERO COCC[NH2+]CCC[S@](=O)c1ccc(Br)cc1 ZINC000084031822 192396668 /nfs/dbraw/zinc/39/66/68/192396668.db2.gz YVBGWBQSLTZQFT-QGZVFWFLSA-N 1 0 320.252 2.183 10 0 DEAERO CN1C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CCC1=O ZINC000084062146 192398878 /nfs/dbraw/zinc/39/88/78/192398878.db2.gz UXQTWIOUNVBKSF-LLVKDONJSA-N 1 0 302.296 2.296 10 0 DEAERO CC(C)C[N@H+](CC(N)=O)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084070827 192399389 /nfs/dbraw/zinc/39/93/89/192399389.db2.gz KHXKWCOCPZCQRL-UHFFFAOYSA-N 1 0 323.462 2.404 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)c(O)c1 ZINC000236210703 539738135 /nfs/dbraw/zinc/73/81/35/539738135.db2.gz JALAFDKSDYXMEP-KOLCDFICSA-N 1 0 313.195 2.012 10 0 DEAERO CC[NH+](CC)CCN(C[C@H](C)C(=O)OC)C(=O)c1ccccc1 ZINC000071607068 190992991 /nfs/dbraw/zinc/99/29/91/190992991.db2.gz FNTSVYRNEMADKI-HNNXBMFYSA-N 1 0 320.433 2.280 10 0 DEAERO CCOC(=O)Cn1c2ccc(C)cc2nc1[C@@H]1CCC[NH2+]C1 ZINC000071667178 191002181 /nfs/dbraw/zinc/00/21/81/191002181.db2.gz RWYVXVVZBYGONA-CYBMUJFWSA-N 1 0 301.390 2.375 10 0 DEAERO CNc1nc(-c2ccc([C@@H](O)CC[NH3+])cc2)c(C(C)=O)s1 ZINC000071677277 191005300 /nfs/dbraw/zinc/00/53/00/191005300.db2.gz BFAXSLVKUFTHKR-LBPRGKRZSA-N 1 0 305.403 2.437 10 0 DEAERO [NH3+]CCCCCc1nc(CC(=O)Nc2ccccn2)cs1 ZINC000071693908 191009083 /nfs/dbraw/zinc/00/90/83/191009083.db2.gz YFANTSACXFZFKM-UHFFFAOYSA-N 1 0 304.419 2.391 10 0 DEAERO C[C@H]([NH3+])c1nc(CC(=O)Nc2cccc(N(C)C)c2)cs1 ZINC000071695617 191009123 /nfs/dbraw/zinc/00/91/23/191009123.db2.gz IJDMMTRALYLDCG-JTQLQIEISA-N 1 0 304.419 2.410 10 0 DEAERO C[C@@](C[NH3+])(Nc1ccc(C(N)=O)c(C(F)(F)F)c1)C1CC1 ZINC000133777411 186011558 /nfs/dbraw/zinc/01/15/58/186011558.db2.gz AVJGCHOZPVSPAQ-ZDUSSCGKSA-N 1 0 301.312 2.344 10 0 DEAERO C[C@H](NC(=O)c1cc(N)cc(Br)c1)c1ncc[nH]1 ZINC000138378046 186016432 /nfs/dbraw/zinc/01/64/32/186016432.db2.gz VGEWCRRFIHKXSU-ZETCQYMHSA-N 1 0 309.167 2.245 10 0 DEAERO CCC[C@@H](C)N(C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138530291 186017726 /nfs/dbraw/zinc/01/77/26/186017726.db2.gz HNNXRCDZNFLUTM-SECBINFHSA-N 1 0 306.378 2.233 10 0 DEAERO CC(C)[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)NCC2CC2)c1 ZINC000138626732 186018338 /nfs/dbraw/zinc/01/83/38/186018338.db2.gz GUGFBANCQHLPRF-UHFFFAOYSA-N 1 0 318.389 2.151 10 0 DEAERO CCOc1cc2c(cc1C[N@@H+]1CCC[C@](O)(CO)CC1)CCC2 ZINC000072143651 191048876 /nfs/dbraw/zinc/04/88/76/191048876.db2.gz BGQSIIXACYEPNN-LJQANCHMSA-N 1 0 319.445 2.283 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)NC[C@H](C)C(C)C)c1 ZINC000139129677 186020070 /nfs/dbraw/zinc/02/00/70/186020070.db2.gz XBDDPQXXYFJVQV-JTQLQIEISA-N 1 0 320.405 2.255 10 0 DEAERO CC[C@@H]1CC[C@@H](C)N1S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139278014 186020888 /nfs/dbraw/zinc/02/08/88/186020888.db2.gz LQEOBSLNRPHZJV-MWLCHTKSSA-N 1 0 318.389 2.375 10 0 DEAERO C[C@H](CNS(=O)(=O)c1cc(C[NH3+])cc(F)c1F)C(C)(C)C ZINC000139276927 186020945 /nfs/dbraw/zinc/02/09/45/186020945.db2.gz VKNZATCGMCNOGG-SECBINFHSA-N 1 0 320.405 2.384 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CC=C(C)CC2)c1 ZINC000139352416 186021518 /nfs/dbraw/zinc/02/15/18/186021518.db2.gz AFLFSQJYXOVRSC-UHFFFAOYSA-N 1 0 316.373 2.025 10 0 DEAERO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1nc2ccccc2[nH]1 ZINC000139812193 186024029 /nfs/dbraw/zinc/02/40/29/186024029.db2.gz KTZZONGPCUHEMS-RYUDHWBXSA-N 1 0 301.394 2.017 10 0 DEAERO C[C@@]([NH3+])(c1nc(-c2ncccc2Br)no1)C1CC1 ZINC000139852749 186024469 /nfs/dbraw/zinc/02/44/69/186024469.db2.gz XIGKKJINVGLQFH-LBPRGKRZSA-N 1 0 309.167 2.478 10 0 DEAERO C[NH+](C)CCn1ncc(Cl)c1[C@@H](O)c1ccncc1Cl ZINC000140156565 186025490 /nfs/dbraw/zinc/02/54/90/186025490.db2.gz QECKNZXJFFRBJA-ZDUSSCGKSA-N 1 0 315.204 2.228 10 0 DEAERO CC(C)n1ncnc1C[C@@H]([NH3+])c1ncccc1Br ZINC000140341765 186026425 /nfs/dbraw/zinc/02/64/25/186026425.db2.gz UUAAKTIQDNJQRB-SNVBAGLBSA-N 1 0 310.199 2.259 10 0 DEAERO CCCn1ncnc1C[C@@H]([NH2+]C)c1ncccc1Br ZINC000140450674 186026638 /nfs/dbraw/zinc/02/66/38/186026638.db2.gz UFEOEEZSGURCOF-LLVKDONJSA-N 1 0 324.226 2.349 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cnn(CC3CC3)c2)C1 ZINC000246601482 539765468 /nfs/dbraw/zinc/76/54/68/539765468.db2.gz ZNCXPJNEUHEROA-SWLSCSKDSA-N 1 0 305.426 2.143 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C[C@H](C)O1 ZINC000248394391 539773320 /nfs/dbraw/zinc/77/33/20/539773320.db2.gz NGNFIJUMPQWWOM-AGGWBTHJSA-N 1 0 323.412 2.103 10 0 DEAERO CCC(C)(C)N(C)[C@]1(C[NH3+])CCS(=O)(=O)c2ccccc21 ZINC000147657828 186040842 /nfs/dbraw/zinc/04/08/42/186040842.db2.gz ROQSZTAPEQRHDY-INIZCTEOSA-N 1 0 310.463 2.138 10 0 DEAERO C[C@@H]1OCC[C@]1(C[NH3+])N(C)Cc1cc(Br)cs1 ZINC000147971668 186042432 /nfs/dbraw/zinc/04/24/32/186042432.db2.gz UTTIFXDQYJSVGI-JOYOIKCWSA-N 1 0 319.268 2.449 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CN1C(=O)C2(CC2)N[C@H]1c1ccsc1 ZINC000144333803 186035050 /nfs/dbraw/zinc/03/50/50/186035050.db2.gz VJFRSMUXSIAUEI-ZIAGYGMSSA-N 1 0 305.447 2.195 10 0 DEAERO CC(C)[NH2+]Cc1cc(S(=O)(=O)N(C)C2CCC2)ccc1F ZINC000144664741 186035849 /nfs/dbraw/zinc/03/58/49/186035849.db2.gz WGIYZGZIJLZZID-UHFFFAOYSA-N 1 0 314.426 2.497 10 0 DEAERO CC(C)[NH2+]CCc1ccc(S(=O)(=O)N(C)C2CCC2)cc1 ZINC000144645505 186035941 /nfs/dbraw/zinc/03/59/41/186035941.db2.gz QBAULEICHDXDAA-UHFFFAOYSA-N 1 0 310.463 2.400 10 0 DEAERO CC[NH+](CC)C[C@H](C)N1C(=O)C2(CC2)N[C@@H]1c1ccsc1 ZINC000145106156 186036493 /nfs/dbraw/zinc/03/64/93/186036493.db2.gz ITJAFAASTFXJSK-JSGCOSHPSA-N 1 0 307.463 2.441 10 0 DEAERO CC[NH+](CC)C[C@H](C)N1C(=O)C2(CC2)N[C@H]1c1ccsc1 ZINC000145105773 186036756 /nfs/dbraw/zinc/03/67/56/186036756.db2.gz ITJAFAASTFXJSK-GXTWGEPZSA-N 1 0 307.463 2.441 10 0 DEAERO Cc1ccc([C@@H]2NC3(CC3)C(=O)N2[C@@H](C)CC[NH+](C)C)s1 ZINC000145732776 186037596 /nfs/dbraw/zinc/03/75/96/186037596.db2.gz SPCAGNSBIYCZCR-SMDDNHRTSA-N 1 0 307.463 2.360 10 0 DEAERO COc1cc(NC(=O)C[C@H](C)C[NH3+])ccc1Br ZINC000149167188 186048023 /nfs/dbraw/zinc/04/80/23/186048023.db2.gz UVTLIWUYTXFRKY-QMMMGPOBSA-N 1 0 301.184 2.381 10 0 DEAERO CCC[NH2+][C@@H](Cc1cn2ccsc2n1)[C@H]1CSCCO1 ZINC000149252702 186048447 /nfs/dbraw/zinc/04/84/47/186048447.db2.gz FVDBFNLSPBQQKM-QWHCGFSZSA-N 1 0 311.476 2.439 10 0 DEAERO CN(CC[C@@H]1CCCC[NH2+]1)S(=O)(=O)CCc1ccccc1 ZINC000149371922 186049433 /nfs/dbraw/zinc/04/94/33/186049433.db2.gz CMCMIVICPVQXTG-INIZCTEOSA-N 1 0 310.463 2.023 10 0 DEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000149414321 186049555 /nfs/dbraw/zinc/04/95/55/186049555.db2.gz XXQWZROUCWRFKP-JOYOIKCWSA-N 1 0 302.296 2.454 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000149600351 186051436 /nfs/dbraw/zinc/05/14/36/186051436.db2.gz VAKXUOCYIAKYCD-VIFPVBQESA-N 1 0 318.826 2.057 10 0 DEAERO CC[NH2+][C@@H](c1cccc2ncccc21)[C@H]1CCS(=O)(=O)C1 ZINC000150108120 186054556 /nfs/dbraw/zinc/05/45/56/186054556.db2.gz JUDSGTZVLIVTSN-BLLLJJGKSA-N 1 0 304.415 2.320 10 0 DEAERO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC000248956326 539777065 /nfs/dbraw/zinc/77/70/65/539777065.db2.gz AOOBEGIAPLYRON-SJORKVTESA-N 1 0 308.466 2.166 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000150153053 186055061 /nfs/dbraw/zinc/05/50/61/186055061.db2.gz WMGPDFVASNSXBP-SMDDNHRTSA-N 1 0 319.829 2.434 10 0 DEAERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)NC(=O)NCc1ccco1 ZINC000150745068 186062596 /nfs/dbraw/zinc/06/25/96/186062596.db2.gz LFVCMXMWKHQLMJ-CYBMUJFWSA-N 1 0 307.394 2.260 10 0 DEAERO CC[NH2+][C@@H](c1cccc2cnccc21)[C@H]1CCS(=O)(=O)C1 ZINC000150169974 186055495 /nfs/dbraw/zinc/05/54/95/186055495.db2.gz OEDJMJSBVKCCJY-XJKSGUPXSA-N 1 0 304.415 2.320 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261803622 539787610 /nfs/dbraw/zinc/78/76/10/539787610.db2.gz RECMYGLOIONROK-KFWWJZLASA-N 1 0 304.438 2.075 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000155675349 186101781 /nfs/dbraw/zinc/10/17/81/186101781.db2.gz FLCHZSDZQLKNFD-VXGBXAGGSA-N 1 0 303.381 2.401 10 0 DEAERO CCOc1ccc(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155752626 186109280 /nfs/dbraw/zinc/10/92/80/186109280.db2.gz QOSZQUGBKSLBPE-YOEHRIQHSA-N 1 0 304.434 2.473 10 0 DEAERO Cc1ccc(Br)c(NC(=O)[C@H]2CC[C@@H](C[NH3+])O2)c1 ZINC000163969846 186144054 /nfs/dbraw/zinc/14/40/54/186144054.db2.gz MPLRTAFSHZLHSD-JOYOIKCWSA-N 1 0 313.195 2.202 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1cc(C)ccc1Br ZINC000163973972 186144295 /nfs/dbraw/zinc/14/42/95/186144295.db2.gz ZLXGPSPSZSANEH-NSHDSACASA-N 1 0 315.211 2.450 10 0 DEAERO COCCn1ncc(Br)c1[C@@]1(F)CCC[C@H]([NH3+])C1 ZINC000164030352 186146698 /nfs/dbraw/zinc/14/66/98/186146698.db2.gz USUKLJZNBHCJLC-JOYOIKCWSA-N 1 0 320.206 2.358 10 0 DEAERO Cc1ccc([C@H](C[NH3+])N2CCO[C@H](C)C2)c(Br)c1 ZINC000164056607 186146806 /nfs/dbraw/zinc/14/68/06/186146806.db2.gz XXGXIONLRKKWJR-RISCZKNCSA-N 1 0 313.239 2.478 10 0 DEAERO COCCn1ncc(Cl)c1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000164080470 186148536 /nfs/dbraw/zinc/14/85/36/186148536.db2.gz OYPOGVCJMOHDKP-DRZSPHRISA-N 1 0 311.813 2.286 10 0 DEAERO CSc1nc(NCCOc2cccc(C)c2)cc(NN)[nH+]1 ZINC000159749843 186139086 /nfs/dbraw/zinc/13/90/86/186139086.db2.gz ZZBJSNCGDGMCEH-UHFFFAOYSA-N 1 0 305.407 2.283 10 0 DEAERO CCn1ncc(Br)c1C(=O)C1(C)CC[NH2+]CC1 ZINC000164229673 186152596 /nfs/dbraw/zinc/15/25/96/186152596.db2.gz QJXBSFLORYNUDR-UHFFFAOYSA-N 1 0 300.200 2.238 10 0 DEAERO Cn1ncc(Br)c1C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000164288882 186154986 /nfs/dbraw/zinc/15/49/86/186154986.db2.gz IZMBONLLTMFMLG-NSHDSACASA-N 1 0 320.190 2.252 10 0 DEAERO COCCN1CC[C@@H]([NH3+])[C@@H]1c1ccc(C)cc1Br ZINC000164322322 186155780 /nfs/dbraw/zinc/15/57/80/186155780.db2.gz YDQLZCCNOJZION-KGLIPLIRSA-N 1 0 313.239 2.478 10 0 DEAERO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000164321829 186155939 /nfs/dbraw/zinc/15/59/39/186155939.db2.gz RLCZBHHEYUVWKA-VPTHRUTESA-N 1 0 308.216 2.445 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccccc1C(N)=S ZINC000164355660 186156384 /nfs/dbraw/zinc/15/63/84/186156384.db2.gz XEOSGKGBLYMOOY-NWDGAFQWSA-N 1 0 305.447 2.380 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000164362179 186157668 /nfs/dbraw/zinc/15/76/68/186157668.db2.gz AZWSZDHIQKRXTB-WCBMZHEXSA-N 1 0 300.200 2.366 10 0 DEAERO CCCc1cc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n(C)n1 ZINC000179693459 186206927 /nfs/dbraw/zinc/20/69/27/186206927.db2.gz VAOVCDMSZUPNGP-JSGCOSHPSA-N 1 0 307.442 2.223 10 0 DEAERO C[C@H](NC(=O)C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1)c1cccs1 ZINC000187992833 186240660 /nfs/dbraw/zinc/24/06/60/186240660.db2.gz XKCMVZJFLXMTRZ-WWGRRREGSA-N 1 0 310.463 2.408 10 0 DEAERO c1ccc(CN2CCSC[C@@H]2C[NH2+][C@H]2CCCOC2)cc1 ZINC000277070168 539806676 /nfs/dbraw/zinc/80/66/76/539806676.db2.gz IUNUSHLPPWTQNY-IRXDYDNUSA-N 1 0 306.475 2.373 10 0 DEAERO CCC(CC)[C@@H](CNC(=O)N[C@H]1CCCOC1)[NH+]1CCCC1 ZINC000171594642 197948933 /nfs/dbraw/zinc/94/89/33/197948933.db2.gz QANABJNVLMXVOB-JKSUJKDBSA-N 1 0 311.470 2.365 10 0 DEAERO COCCOc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171888736 198002401 /nfs/dbraw/zinc/00/24/01/198002401.db2.gz YHXUXYYRBLWJPO-HNNXBMFYSA-N 1 0 319.405 2.024 10 0 DEAERO COc1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000171899047 198004260 /nfs/dbraw/zinc/00/42/60/198004260.db2.gz HSCLJJJCEPYQBM-GXTWGEPZSA-N 1 0 321.396 2.385 10 0 DEAERO Brc1cnn(CCCC[NH2+][C@H]2CCCOC2)c1 ZINC000280719920 539815095 /nfs/dbraw/zinc/81/50/95/539815095.db2.gz XXCXNXZRAAMDID-LBPRGKRZSA-N 1 0 302.216 2.194 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cccnc2Cl)CC1 ZINC000171922223 198008518 /nfs/dbraw/zinc/00/85/18/198008518.db2.gz TXYQIBLCYLMRCQ-MRXNPFEDSA-N 1 0 322.884 2.337 10 0 DEAERO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000172099453 198039367 /nfs/dbraw/zinc/03/93/67/198039367.db2.gz YMFQCAONZJTQJB-CKIDTQIGSA-N 1 0 319.445 2.136 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)C[C@@H]2CCCc3ccccc32)CCO1 ZINC000172306679 198077412 /nfs/dbraw/zinc/07/74/12/198077412.db2.gz NKXWYICRLONDDZ-IRXDYDNUSA-N 1 0 316.445 2.286 10 0 DEAERO COc1cc(CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1C ZINC000172661210 198133811 /nfs/dbraw/zinc/13/38/11/198133811.db2.gz UFARNFSNJPQGIU-INIZCTEOSA-N 1 0 317.433 2.036 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C[S@](C)=O)c2)CC[N@@H+]1C ZINC000172994305 198174652 /nfs/dbraw/zinc/17/46/52/198174652.db2.gz NZZCBILOMCYMSD-DHZVRSILSA-N 1 0 322.474 2.120 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)NCCc2ccc(F)cc2)CC[N@@H+]1C ZINC000173189852 198194064 /nfs/dbraw/zinc/19/40/64/198194064.db2.gz JBDOOZUYFSGHAT-XJKSGUPXSA-N 1 0 307.413 2.492 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000332798080 539940222 /nfs/dbraw/zinc/94/02/22/539940222.db2.gz MVMWENYODQOULV-IUODEOHRSA-N 1 0 318.465 2.274 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccs2)[C@H](C)C1 ZINC000173256414 198202556 /nfs/dbraw/zinc/20/25/56/198202556.db2.gz JDDLEHWVQYDUIR-VXGBXAGGSA-N 1 0 302.465 2.099 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173279386 198205250 /nfs/dbraw/zinc/20/52/50/198205250.db2.gz HIELIFAHTABOIS-OCCSQVGLSA-N 1 0 314.426 2.237 10 0 DEAERO O=C(Nc1nc(C(F)(F)F)cs1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333114970 539948940 /nfs/dbraw/zinc/94/89/40/539948940.db2.gz HCUITVIIRKSMAL-YUMQZZPRSA-N 1 0 320.340 2.235 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000173276559 198205809 /nfs/dbraw/zinc/20/58/09/198205809.db2.gz PCQMVHJBIMTYPX-CZUORRHYSA-N 1 0 322.474 2.279 10 0 DEAERO COc1cc(C)c(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1F ZINC000333313015 539955678 /nfs/dbraw/zinc/95/56/78/539955678.db2.gz LYIINMPPHXVXLN-RYUDHWBXSA-N 1 0 307.369 2.216 10 0 DEAERO COc1ccccc1CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173425746 198213884 /nfs/dbraw/zinc/21/38/84/198213884.db2.gz RWSHTTBZGBBIDG-GDBMZVCRSA-N 1 0 319.449 2.362 10 0 DEAERO CCc1cnc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000173513580 198222488 /nfs/dbraw/zinc/22/24/88/198222488.db2.gz NAXBAAPFSFWCQD-NWDGAFQWSA-N 1 0 308.451 2.084 10 0 DEAERO C[C@@H](NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1cncc(F)c1 ZINC000333529606 539962363 /nfs/dbraw/zinc/96/23/63/539962363.db2.gz HUDHAKBNZUHWFF-WBMJQRKESA-N 1 0 306.385 2.067 10 0 DEAERO C[C@@H](CCc1cccc(F)c1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000173522625 198223907 /nfs/dbraw/zinc/22/39/07/198223907.db2.gz WSGJWZNLOFVSJF-WMLDXEAASA-N 1 0 322.424 2.183 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000333551953 539963356 /nfs/dbraw/zinc/96/33/56/539963356.db2.gz KIEYWMRMYUZQIE-WCXIOVBPSA-N 1 0 316.449 2.001 10 0 DEAERO COC[C@H](C)[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000173685487 198241128 /nfs/dbraw/zinc/24/11/28/198241128.db2.gz XNVJSXAHLLLECL-INIZCTEOSA-N 1 0 314.433 2.025 10 0 DEAERO COC[C@H](C)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173706790 198243739 /nfs/dbraw/zinc/24/37/39/198243739.db2.gz KLZRBAPXVUGWEI-RDJZCZTQSA-N 1 0 304.434 2.392 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccccc3F)C2=O)n(C)n1 ZINC000173853878 198260989 /nfs/dbraw/zinc/26/09/89/198260989.db2.gz WLAXHJCVJMNCDY-HNNXBMFYSA-N 1 0 316.380 2.153 10 0 DEAERO COCc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173813569 198255555 /nfs/dbraw/zinc/25/55/55/198255555.db2.gz PJEGUFAZTABUIY-RHSMWYFYSA-N 1 0 319.449 2.457 10 0 DEAERO Cc1ccccc1OCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174204470 198305693 /nfs/dbraw/zinc/30/56/93/198305693.db2.gz MHCIZNFRGCMXOI-MRXNPFEDSA-N 1 0 315.417 2.030 10 0 DEAERO C[C@@H](Cc1ccccc1F)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174252966 198310673 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C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2COc3ccccc32)C1 ZINC000176036409 198538249 /nfs/dbraw/zinc/53/82/49/198538249.db2.gz LIETUICADAZVLW-GZBFAFLISA-N 1 0 303.406 2.292 10 0 DEAERO c1nc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)co1 ZINC000277007376 213235211 /nfs/dbraw/zinc/23/52/11/213235211.db2.gz KTEZRGVEMQQERY-INIZCTEOSA-N 1 0 303.431 2.382 10 0 DEAERO CCc1nnc2ccc(N3CCCC[C@H]([NH+]4CCCC4)C3)nn21 ZINC000068703392 354827478 /nfs/dbraw/zinc/82/74/78/354827478.db2.gz MWONLNACSSWUSY-AWEZNQCLSA-N 1 0 314.437 2.141 10 0 DEAERO CCc1cnc(CCNC(=O)NCCC[NH+](CC)CC)s1 ZINC000073437129 191317111 /nfs/dbraw/zinc/31/71/11/191317111.db2.gz MVZZEEXZKQVWJP-UHFFFAOYSA-N 1 0 312.483 2.279 10 0 DEAERO O=C1[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CCN1C1CCOCC1 ZINC000358202737 540096015 /nfs/dbraw/zinc/09/60/15/540096015.db2.gz MXSVAWKVSPXSIR-SJORKVTESA-N 1 0 318.392 2.183 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)CCc1cccn1C ZINC000073654644 191336231 /nfs/dbraw/zinc/33/62/31/191336231.db2.gz ZMIBQVDUJILEOT-CABCVRRESA-N 1 0 308.470 2.376 10 0 DEAERO O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCC[NH+]1CCCCC1 ZINC000073658369 191338049 /nfs/dbraw/zinc/33/80/49/191338049.db2.gz DMABBNHYVKAANI-UHFFFAOYSA-N 1 0 321.808 2.219 10 0 DEAERO C[NH+](C)CCCNC(=O)Cc1ccc(Br)s1 ZINC000074960738 191396241 /nfs/dbraw/zinc/39/62/41/191396241.db2.gz IJFYNLLPGBIQSF-UHFFFAOYSA-N 1 0 305.241 2.121 10 0 DEAERO COc1c(Cl)ccc(Cl)c1C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000074864866 191375230 /nfs/dbraw/zinc/37/52/30/191375230.db2.gz DMYQKPZKXMYXCV-MRVPVSSYSA-N 1 0 303.189 2.436 10 0 DEAERO Cn1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1 ZINC000390623698 540134091 /nfs/dbraw/zinc/13/40/91/540134091.db2.gz HLOMSWXVVFEGTA-ZNXRZULTSA-N 1 0 311.433 2.100 10 0 DEAERO CCN1c2cc([C@H](C(C)C)N3CC[NH2+]CC3)ccc2OCC1=O ZINC000075271169 191453458 /nfs/dbraw/zinc/45/34/58/191453458.db2.gz USLFDUDIGOMBSN-SFHVURJKSA-N 1 0 317.433 2.034 10 0 DEAERO Cc1c(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)oc2c1C(=O)CCC2 ZINC000093988772 355690859 /nfs/dbraw/zinc/69/08/59/355690859.db2.gz DRAONSMHVGHOJF-RYUDHWBXSA-N 1 0 304.390 2.320 10 0 DEAERO CC[C@H]1CN(C(=O)Cc2cccc(C)c2)CC[N@@H+]1CCOC ZINC000117301509 355776805 /nfs/dbraw/zinc/77/68/05/355776805.db2.gz NBCLBDFUVBUAOZ-KRWDZBQOSA-N 1 0 304.434 2.107 10 0 DEAERO CC[C@@H]1CN(C(=O)Cc2cccc(C)c2)CC[N@@H+]1CCOC ZINC000117301506 355776968 /nfs/dbraw/zinc/77/69/68/355776968.db2.gz NBCLBDFUVBUAOZ-QGZVFWFLSA-N 1 0 304.434 2.107 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCO[C@H](c3cccs3)C2)C1 ZINC000120067777 355789834 /nfs/dbraw/zinc/78/98/34/355789834.db2.gz KUVZJVIOQCEEQM-KBPBESRZSA-N 1 0 323.462 2.173 10 0 DEAERO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC000123122807 355803120 /nfs/dbraw/zinc/80/31/20/355803120.db2.gz XCIXICXEUQJLHM-GFCCVEGCSA-N 1 0 305.422 2.238 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)CCCc2nc(C3CC3)no2)CC[N@@H+]1C ZINC000127546718 355822671 /nfs/dbraw/zinc/82/26/71/355822671.db2.gz SULTVRNJMCPGBI-GXTWGEPZSA-N 1 0 320.437 2.211 10 0 DEAERO C[NH2+][C@H]1CCC(C)(C)C[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000079625615 191957054 /nfs/dbraw/zinc/95/70/54/191957054.db2.gz SOQRKQRGTZWINH-STQMWFEESA-N 1 0 307.404 2.333 10 0 DEAERO Cc1nn(C)cc1C[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000179071077 356013304 /nfs/dbraw/zinc/01/33/04/356013304.db2.gz KRDSUHHXZVAHKA-UHFFFAOYSA-N 1 0 322.412 2.228 10 0 DEAERO CCOCCC1(CNC(=O)c2c[nH+]ccc2N(C)C)CCC1 ZINC000183955401 199655753 /nfs/dbraw/zinc/65/57/53/199655753.db2.gz LZPIXWGUEGFIEK-UHFFFAOYSA-N 1 0 305.422 2.474 10 0 DEAERO CCN(CC)C(=O)C1([NH2+]C[C@H](O)C(F)(F)F)CCCCC1 ZINC000181761467 356094802 /nfs/dbraw/zinc/09/48/02/356094802.db2.gz PZWUNTIMIDEXMH-NSHDSACASA-N 1 0 310.360 2.071 10 0 DEAERO CCCc1ccc(S(=O)(=O)N(CC)C[C@@H](C)C(N)=[NH2+])cc1 ZINC000079785631 191973506 /nfs/dbraw/zinc/97/35/06/191973506.db2.gz AUPFQOHOUWPYEN-GFCCVEGCSA-N 1 0 311.451 2.222 10 0 DEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2OCC(=O)OC)C1 ZINC000183391860 356170338 /nfs/dbraw/zinc/17/03/38/356170338.db2.gz ZTWPGGCGSOVHDF-LSDHHAIUSA-N 1 0 320.433 2.373 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000187768438 356214154 /nfs/dbraw/zinc/21/41/54/356214154.db2.gz YEZOPKVMLVJYKZ-WMLDXEAASA-N 1 0 310.413 2.071 10 0 DEAERO C[C@@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000185289909 356205135 /nfs/dbraw/zinc/20/51/35/356205135.db2.gz WHKQUTRIQXJXFD-GFCCVEGCSA-N 1 0 307.394 2.069 10 0 DEAERO CC(C)([NH3+])COCC(=O)Nc1ccccc1Br ZINC000080801270 192192209 /nfs/dbraw/zinc/19/22/09/192192209.db2.gz GDJKVFNCLLKPPA-UHFFFAOYSA-N 1 0 301.184 2.142 10 0 DEAERO CCC[NH2+][C@@H](C)c1csc(N(CCOC)CCOC)n1 ZINC000080829455 192193775 /nfs/dbraw/zinc/19/37/75/192193775.db2.gz WRBOAKYLXUJOHR-LBPRGKRZSA-N 1 0 301.456 2.303 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)C1 ZINC000227794297 356280497 /nfs/dbraw/zinc/28/04/97/356280497.db2.gz GSJXMEUAEPZIJT-MJBXVCDLSA-N 1 0 308.447 2.383 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000194944581 356247605 /nfs/dbraw/zinc/24/76/05/356247605.db2.gz PJGANBSKSFICDR-CQSZACIVSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)Nc2cc(C(N)=O)ccc2Cl)C1 ZINC000080913796 192200533 /nfs/dbraw/zinc/20/05/33/192200533.db2.gz SLNXIHLMQYOUNL-PSLIRLAXSA-N 1 0 309.797 2.285 10 0 DEAERO C[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400338172 283155616 /nfs/dbraw/zinc/15/56/16/283155616.db2.gz FYZGFDLZYVLLSW-HZSPNIEDSA-N 1 0 300.443 2.240 10 0 DEAERO C[C@@H]1CN(C(=O)c2coc(Br)c2)C[C@H]1[NH+](C)C ZINC000266194863 356348718 /nfs/dbraw/zinc/34/87/18/356348718.db2.gz NPKSTTIKVUGVLH-PSASIEDQSA-N 1 0 301.184 2.064 10 0 DEAERO CC(C)[C@@H](C(=O)NCc1ccccc1-n1cccn1)[C@H](C)[NH3+] ZINC000399741968 283154068 /nfs/dbraw/zinc/15/40/68/283154068.db2.gz QDCABOHOPKRZKA-XJKSGUPXSA-N 1 0 300.406 2.108 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)C1CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400697214 283158024 /nfs/dbraw/zinc/15/80/24/283158024.db2.gz BFLCZLMMUIBKIO-CFVMTHIKSA-N 1 0 312.454 2.383 10 0 DEAERO Cc1noc(CC[NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000400694662 283158104 /nfs/dbraw/zinc/15/81/04/283158104.db2.gz IZGJJZTXDBAJEP-AAEUAGOBSA-N 1 0 324.425 2.156 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400781644 283158534 /nfs/dbraw/zinc/15/85/34/283158534.db2.gz PQXLIJPUPSZIMS-XEZPLFJOSA-N 1 0 300.443 2.383 10 0 DEAERO COc1ccc(OCC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000081064057 192221996 /nfs/dbraw/zinc/22/19/96/192221996.db2.gz HJRFZHGAONESAS-ZDUSSCGKSA-N 1 0 305.296 2.073 10 0 DEAERO CC[C@H](O)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400475209 283157577 /nfs/dbraw/zinc/15/75/77/283157577.db2.gz ZNELYXXPRGATQX-RDBSUJKOSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]1CC[C@@]([NH3+])(c2ncc(I)cn2)C1 ZINC000306647140 356404951 /nfs/dbraw/zinc/40/49/51/356404951.db2.gz PFBKFJTXSFDKFT-XCBNKYQSSA-N 1 0 303.147 2.055 10 0 DEAERO C[NH2+]Cc1nnc(-c2sccc2I)o1 ZINC000306838370 356406641 /nfs/dbraw/zinc/40/66/41/356406641.db2.gz 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313.471 2.111 10 0 DEAERO CCCn1c2ccc(Cl)cc2nc1-c1cn(CC[NH3+])nn1 ZINC000089695959 192844707 /nfs/dbraw/zinc/84/47/07/192844707.db2.gz FZDQRJZGAUJRLZ-UHFFFAOYSA-N 1 0 304.785 2.317 10 0 DEAERO CC[C@@]1(CO)CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000187059113 200053835 /nfs/dbraw/zinc/05/38/35/200053835.db2.gz IGAOVQVJSJPISC-IEBWSBKVSA-N 1 0 318.461 2.170 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc3nc(C)ccc3c2)CC1 ZINC000187248304 200083202 /nfs/dbraw/zinc/08/32/02/200083202.db2.gz ZEPUHOXADHBUQF-GOSISDBHSA-N 1 0 313.445 2.432 10 0 DEAERO C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000187821708 200161308 /nfs/dbraw/zinc/16/13/08/200161308.db2.gz NYGAFPBVWAXZOV-JKSUJKDBSA-N 1 0 306.381 2.432 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000187829797 200162872 /nfs/dbraw/zinc/16/28/72/200162872.db2.gz XQHOZHPIUPLWDU-JSGCOSHPSA-N 1 0 305.353 2.015 10 0 DEAERO Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c(C)[nH]1 ZINC000600535381 359763069 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CC(=O)c1cc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)ccc1C ZINC000519834282 283586187 /nfs/dbraw/zinc/58/61/87/283586187.db2.gz JLMDYHYHTWICCS-CYBMUJFWSA-N 1 0 311.332 2.316 10 0 DEAERO c1cnn(Cc2noc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000603782083 360857085 /nfs/dbraw/zinc/85/70/85/360857085.db2.gz PLAZDHCQSHKTBL-HNNXBMFYSA-N 1 0 324.388 2.089 10 0 DEAERO C[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)C(=O)N(C)C ZINC000191732733 200753474 /nfs/dbraw/zinc/75/34/74/200753474.db2.gz GNUHEJZLOREMJN-JTQLQIEISA-N 1 0 304.312 2.194 10 0 DEAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(-c2cccnc2)on1 ZINC000605372489 360962733 /nfs/dbraw/zinc/96/27/33/360962733.db2.gz WUWPTMDJODLSNJ-AWEZNQCLSA-N 1 0 314.389 2.341 10 0 DEAERO CC1(C)Cc2cccc(C[NH2+]CCc3nnc4n3CCC4)c2O1 ZINC000606469187 361012514 /nfs/dbraw/zinc/01/25/14/361012514.db2.gz FGRJJOHCCBSCGN-UHFFFAOYSA-N 1 0 312.417 2.270 10 0 DEAERO O=C(Nc1ccc2nccn2c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000606582736 361022838 /nfs/dbraw/zinc/02/28/38/361022838.db2.gz BEMOCLSGYFULGP-UHFFFAOYSA-N 1 0 322.372 2.083 10 0 DEAERO O=C1CCCN1CCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193265951 201017545 /nfs/dbraw/zinc/01/75/45/201017545.db2.gz BOSRAGYTVWVSMQ-UHFFFAOYSA-N 1 0 302.418 2.156 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000193409582 201048057 /nfs/dbraw/zinc/04/80/57/201048057.db2.gz BPMNSDYBIYCMJD-QPUJVOFHSA-N 1 0 323.245 2.270 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1OCC ZINC000090489814 192923058 /nfs/dbraw/zinc/92/30/58/192923058.db2.gz GEJZWFPAJOPMBV-WCQYABFASA-N 1 0 312.797 2.302 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000194149305 201186505 /nfs/dbraw/zinc/18/65/05/201186505.db2.gz CFCGREPIMFYEJT-MRXNPFEDSA-N 1 0 317.433 2.349 10 0 DEAERO COC[C@](C)(CO)[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611498428 361613283 /nfs/dbraw/zinc/61/32/83/361613283.db2.gz RMZAGQFTZZWODV-KRWDZBQOSA-N 1 0 309.406 2.129 10 0 DEAERO CC(=O)c1cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cs1 ZINC000620978519 364219114 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CCN(CC)C(=O)C[C@@H](C[NH3+])N1CCc2sccc2[C@@H]1C ZINC000091322848 193040237 /nfs/dbraw/zinc/04/02/37/193040237.db2.gz QIQCDHLGJKLSDW-STQMWFEESA-N 1 0 309.479 2.253 10 0 DEAERO Cc1csc([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)n1 ZINC000624010842 365252235 /nfs/dbraw/zinc/25/22/35/365252235.db2.gz ZCSJZYFZFDTYDR-LLVKDONJSA-N 1 0 302.465 2.317 10 0 DEAERO CCS(=O)(=O)CCn1ncc(C[NH2+]C(C)(C)C)c1C1CC1 ZINC000091339788 193043757 /nfs/dbraw/zinc/04/37/57/193043757.db2.gz XOSXXAZRVRBHST-UHFFFAOYSA-N 1 0 313.467 2.083 10 0 DEAERO CO[C@@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)(C)C ZINC000091350122 193045114 /nfs/dbraw/zinc/04/51/14/193045114.db2.gz OGBJXBGYILJCKG-FZMZJTMJSA-N 1 0 314.451 2.046 10 0 DEAERO O=C(C1C[NH2+]C1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000091409324 193052138 /nfs/dbraw/zinc/05/21/38/193052138.db2.gz JLKXZXTUWITUNG-UHFFFAOYSA-N 1 0 301.415 2.222 10 0 DEAERO Cc1nc(NC(=O)[C@]2(C)CCC[NH2+]C2)ccc1Br ZINC000091507310 193066823 /nfs/dbraw/zinc/06/68/23/193066823.db2.gz DEHQNXNVTNEZMN-CYBMUJFWSA-N 1 0 312.211 2.481 10 0 DEAERO C[C@@](O)(C[NH3+])Cc1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000091522066 193068674 /nfs/dbraw/zinc/06/86/74/193068674.db2.gz XPYCTCRXGAIEHB-ZDUSSCGKSA-N 1 0 316.188 2.219 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)Cc1cccc(Br)c1 ZINC000091522314 193068975 /nfs/dbraw/zinc/06/89/75/193068975.db2.gz CTHVAVIHLKGJCF-CQSZACIVSA-N 1 0 316.239 2.369 10 0 DEAERO COCC[NH2+]CC[C@](C)(O)c1cccc(OC(F)(F)F)c1 ZINC000091521498 193069000 /nfs/dbraw/zinc/06/90/00/193069000.db2.gz IDUJSCGLQJXDHS-ZDUSSCGKSA-N 1 0 307.312 2.419 10 0 DEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)C(C)(C)N1CCCCC1 ZINC000091565043 193073731 /nfs/dbraw/zinc/07/37/31/193073731.db2.gz MUORKPVNHFPHJS-OAHLLOKOSA-N 1 0 318.527 2.444 10 0 DEAERO C[NH2+][C@H](c1occc1Br)C(C)(C)N1CCOCC1 ZINC000091566556 193073737 /nfs/dbraw/zinc/07/37/37/193073737.db2.gz GTYODDJFEKZPTQ-GFCCVEGCSA-N 1 0 317.227 2.413 10 0 DEAERO c1nnc2ccc(N3CC[C@@H]([NH2+][C@@H]4CCC45CCCC5)C3)nn12 ZINC000624116242 365294828 /nfs/dbraw/zinc/29/48/28/365294828.db2.gz LKURVGZSHWUNON-ZIAGYGMSSA-N 1 0 312.421 2.015 10 0 DEAERO COc1ccc(C[C@@H](O)C[NH2+]C2CC2)cc1Br ZINC000091470180 193060569 /nfs/dbraw/zinc/06/05/69/193060569.db2.gz XAXOLGFSKHMSLL-LLVKDONJSA-N 1 0 300.196 2.113 10 0 DEAERO Cc1cc([C@H](C[NH3+])N2CCOC[C@@H]2C)ccc1Br ZINC000091470582 193060669 /nfs/dbraw/zinc/06/06/69/193060669.db2.gz QVZKKFPGGYHWFG-FZMZJTMJSA-N 1 0 313.239 2.478 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH3+])C1(N(C)C)CCC(C)CC1 ZINC000091648699 193084709 /nfs/dbraw/zinc/08/47/09/193084709.db2.gz AGPGPMBEBUASPK-SLTAFYQDSA-N 1 0 304.500 2.039 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+][C@@H]3CCC34CCC4)C2)ccn1 ZINC000624263176 365360955 /nfs/dbraw/zinc/36/09/55/365360955.db2.gz BWPFOAWAJLTVEA-IAGOWNOFSA-N 1 0 301.434 2.205 10 0 DEAERO c1cc(CN2CCO[C@@H](C[NH2+][C@H]3CCC34CCC4)C2)ccn1 ZINC000624263177 365361023 /nfs/dbraw/zinc/36/10/23/365361023.db2.gz BWPFOAWAJLTVEA-IRXDYDNUSA-N 1 0 301.434 2.205 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)[C@H]1CN(C)CCO1 ZINC000091717493 193096929 /nfs/dbraw/zinc/09/69/29/193096929.db2.gz PYZQOOURIRWQJP-UONOGXRCSA-N 1 0 302.340 2.167 10 0 DEAERO CN[C@H](c1cc(Cl)ccc1OC)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721311 193096981 /nfs/dbraw/zinc/09/69/81/193096981.db2.gz RDSJSWZEAKLZAZ-DAXOMENPSA-N 1 0 310.825 2.472 10 0 DEAERO CC[NH2+][C@@H](Cc1cc(Cl)ccc1OC)[C@H]1CN(C)CCO1 ZINC000091718300 193097209 /nfs/dbraw/zinc/09/72/09/193097209.db2.gz VLEQITVDWZVVTO-GOEBONIOSA-N 1 0 312.841 2.200 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)[NH+](C)C ZINC000091732769 193098784 /nfs/dbraw/zinc/09/87/84/193098784.db2.gz JAMISWRYTSIUKM-HNNXBMFYSA-N 1 0 305.422 2.366 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccccc1Br ZINC000624235187 365343685 /nfs/dbraw/zinc/34/36/85/365343685.db2.gz GECLJQDDDHKECW-TVYUQYBPSA-N 1 0 300.196 2.250 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000091843489 193116234 /nfs/dbraw/zinc/11/62/34/193116234.db2.gz GTAHZNFPVBVOEA-UHFFFAOYSA-N 1 0 302.827 2.197 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)sc1Cl ZINC000624405065 365411778 /nfs/dbraw/zinc/41/17/78/365411778.db2.gz BEPQPXDKEFLUEA-DTWKUNHWSA-N 1 0 308.856 2.129 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2ccccc2Cl)CC1 ZINC000091872632 193120959 /nfs/dbraw/zinc/12/09/59/193120959.db2.gz GNCVOJCUOWKOGS-UHFFFAOYSA-N 1 0 316.854 2.491 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000091869974 193121399 /nfs/dbraw/zinc/12/13/99/193121399.db2.gz BCEOZHUGKGWILL-UHFFFAOYSA-N 1 0 318.389 2.116 10 0 DEAERO COc1cc(F)cc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000091922797 193126527 /nfs/dbraw/zinc/12/65/27/193126527.db2.gz MBGBIXDDAWWVQA-SWLSCSKDSA-N 1 0 321.396 2.212 10 0 DEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ncc(Br)s1)C2 ZINC000629596296 367267886 /nfs/dbraw/zinc/26/78/86/367267886.db2.gz WDFPEVXQRBPZKU-TXEJJXNPSA-N 1 0 316.268 2.337 10 0 DEAERO CO[C@H]1CN(Cc2cccc(Br)c2)[C@](C)(C[NH3+])C1 ZINC000630366516 367613557 /nfs/dbraw/zinc/61/35/57/367613557.db2.gz LSUPSFVJDUDAMH-KGLIPLIRSA-N 1 0 313.239 2.387 10 0 DEAERO c1nc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c(C2CC2)o1 ZINC000293093011 223393774 /nfs/dbraw/zinc/39/37/74/223393774.db2.gz FDDUUIXPAVIPJL-GHMZBOCLSA-N 1 0 302.334 2.138 10 0 DEAERO COc1nc(N[C@H]2CC[C@H](C[NH3+])CC2)ncc1Br ZINC000630557709 367724847 /nfs/dbraw/zinc/72/48/47/367724847.db2.gz SSPPLUCPOCBCLD-KYZUINATSA-N 1 0 315.215 2.177 10 0 DEAERO COC[C@H]([NH3+])Cc1cn(-c2cc(Cl)ccc2Cl)nn1 ZINC000630600120 367750169 /nfs/dbraw/zinc/75/01/69/367750169.db2.gz XKCSRBMSXMWFMC-SECBINFHSA-N 1 0 301.177 2.090 10 0 DEAERO C[C@@H]1C[NH+](CC(=O)Nc2nc3ccc(N)cc3s2)C[C@H]1C ZINC000092080683 193155496 /nfs/dbraw/zinc/15/54/96/193155496.db2.gz DFDPWYHWLSEXQN-NXEZZACHSA-N 1 0 304.419 2.405 10 0 DEAERO CC(C)[NH2+]Cc1ccccc1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092113964 193161106 /nfs/dbraw/zinc/16/11/06/193161106.db2.gz XSURBBPRMILURB-KBPBESRZSA-N 1 0 310.463 2.461 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)c(F)c1 ZINC000092115527 193163064 /nfs/dbraw/zinc/16/30/64/193163064.db2.gz HDBCWDIKLJIVRG-UHFFFAOYSA-N 1 0 302.415 2.354 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)c(F)c1 ZINC000092115461 193163651 /nfs/dbraw/zinc/16/36/51/193163651.db2.gz JVTWSSQUWFBZAS-UHFFFAOYSA-N 1 0 300.399 2.110 10 0 DEAERO c1c(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)nnn1C[C@H]1CCOC1 ZINC000631144601 368043165 /nfs/dbraw/zinc/04/31/65/368043165.db2.gz NWKOKQDUKWNBHK-HFTRVMKXSA-N 1 0 312.417 2.208 10 0 DEAERO c1c(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)nnn1C[C@@H]1CCOC1 ZINC000631079892 368006603 /nfs/dbraw/zinc/00/66/03/368006603.db2.gz UWKMQVNCWGLWGI-IAOVAPTHSA-N 1 0 304.438 2.373 10 0 DEAERO Cn1nncc1CN[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000631207018 368078923 /nfs/dbraw/zinc/07/89/23/368078923.db2.gz ZSVOOGQOIPSCKR-QGZVFWFLSA-N 1 0 313.449 2.350 10 0 DEAERO COc1ccc(C[NH2+]CC[C@H](O)C(F)F)c(Cl)c1OC ZINC000631217946 368084982 /nfs/dbraw/zinc/08/49/82/368084982.db2.gz YJLSKQZBVUZILO-VIFPVBQESA-N 1 0 309.740 2.463 10 0 DEAERO O[C@H](CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C(F)F ZINC000631219447 368086452 /nfs/dbraw/zinc/08/64/52/368086452.db2.gz NSGAOJMOLFRLQM-SNVBAGLBSA-N 1 0 307.724 2.217 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccccc2OCC(F)(F)F)C1 ZINC000092202872 193172852 /nfs/dbraw/zinc/17/28/52/193172852.db2.gz NZWCQWGHCPSCOG-NXEZZACHSA-N 1 0 300.280 2.470 10 0 DEAERO CN(Cc1ccc(Br)cc1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204397 193172986 /nfs/dbraw/zinc/17/29/86/193172986.db2.gz RDRVUHMJKBGXQG-WCQYABFASA-N 1 0 309.207 2.311 10 0 DEAERO CN(Cc1ccccc1Br)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092204372 193173030 /nfs/dbraw/zinc/17/30/30/193173030.db2.gz ULZXAMAMLCIVIK-PWSUYJOCSA-N 1 0 309.207 2.311 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092206601 193173234 /nfs/dbraw/zinc/17/32/34/193173234.db2.gz GVUJBXHMNXCNRQ-UWVGGRQHSA-N 1 0 308.403 2.329 10 0 DEAERO CN(Cc1csc(Br)c1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092206988 193173577 /nfs/dbraw/zinc/17/35/77/193173577.db2.gz YWHUMJQSIXIPEE-ZJUUUORDSA-N 1 0 315.236 2.372 10 0 DEAERO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCO3)C1(C)C ZINC000451488790 243021650 /nfs/dbraw/zinc/02/16/50/243021650.db2.gz NAUXMJBDRYHZPB-YOEHRIQHSA-N 1 0 320.389 2.147 10 0 DEAERO Brc1scnc1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890568 368445991 /nfs/dbraw/zinc/44/59/91/368445991.db2.gz QSRRLFBMYKINAJ-GXSJLCMTSA-N 1 0 316.268 2.480 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000631979628 368478833 /nfs/dbraw/zinc/47/88/33/368478833.db2.gz VLMMTRNRQPCLTN-NSHDSACASA-N 1 0 316.492 2.367 10 0 DEAERO CC[C@H](C)[NH2+][C@H](CNC(=O)Cc1cn(C)nc1C)c1ccco1 ZINC000451676581 243296123 /nfs/dbraw/zinc/29/61/23/243296123.db2.gz SSNMNEGJQCDPSS-SWLSCSKDSA-N 1 0 318.421 2.110 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cccc(Oc3ccncc3)c2)O1 ZINC000261709079 203098207 /nfs/dbraw/zinc/09/82/07/203098207.db2.gz BUTASSXDYWCJOR-CVEARBPZSA-N 1 0 313.357 2.319 10 0 DEAERO Cc1ccc(N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cc1C ZINC000262037237 203180679 /nfs/dbraw/zinc/18/06/79/203180679.db2.gz YCXHDQJXMLJJGB-SJORKVTESA-N 1 0 312.417 2.003 10 0 DEAERO O=C(N[C@H](CCc1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000262179128 203221295 /nfs/dbraw/zinc/22/12/95/203221295.db2.gz ZEIFQMRKBROMOS-QWHCGFSZSA-N 1 0 300.324 2.418 10 0 DEAERO Brc1cncnc1N1CCC[C@H]1C[NH+]1CCCC1 ZINC000275034993 212085659 /nfs/dbraw/zinc/08/56/59/212085659.db2.gz LCXZRXVAOXHYJD-NSHDSACASA-N 1 0 311.227 2.304 10 0 DEAERO [NH3+][C@H]1CCC[C@H](Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000093213225 193217585 /nfs/dbraw/zinc/21/75/85/193217585.db2.gz QUABGKAWRXHRLU-UWVGGRQHSA-N 1 0 304.362 2.365 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](Oc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000093220208 193218480 /nfs/dbraw/zinc/21/84/80/193218480.db2.gz JNSOQKVESNHINC-KOLCDFICSA-N 1 0 305.346 2.332 10 0 DEAERO COC[C@H]1CCC[N@H+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000093337584 193235171 /nfs/dbraw/zinc/23/51/71/193235171.db2.gz RCFGVHAAEJKSIU-ZDUSSCGKSA-N 1 0 307.390 2.325 10 0 DEAERO CC(C)CN(CC[NH+](C)C)c1ncc(N)cc1Br ZINC000093432953 193250609 /nfs/dbraw/zinc/25/06/09/193250609.db2.gz JIWYIZYFVADHRU-UHFFFAOYSA-N 1 0 315.259 2.450 10 0 DEAERO C[C@@H](C[C@H]1CCC[NH2+]1)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000093464391 193255895 /nfs/dbraw/zinc/25/58/95/193255895.db2.gz LILCWTLGWZGFQY-WDEREUQCSA-N 1 0 315.414 2.140 10 0 DEAERO COc1ccc([C@H]2CNC(=[NH2+])N2C2CC2)cc1Br ZINC000093373866 193240971 /nfs/dbraw/zinc/24/09/71/193240971.db2.gz XWGHWSRQBACKQX-LLVKDONJSA-N 1 0 310.195 2.292 10 0 DEAERO COc1ccc([C@H]2CNC(=[NH2+])N2C[C@@H]2CCCO2)cc1Cl ZINC000093377812 193240977 /nfs/dbraw/zinc/24/09/77/193240977.db2.gz LRXKKJQKZZJBEB-WCQYABFASA-N 1 0 309.797 2.199 10 0 DEAERO CS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCCC1=O ZINC000093493727 193259836 /nfs/dbraw/zinc/25/98/36/193259836.db2.gz XDEYHIIMMSCKJP-KBPBESRZSA-N 1 0 301.452 2.035 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)c(F)c1 ZINC000093520532 193263242 /nfs/dbraw/zinc/26/32/42/193263242.db2.gz SMRRLSBJSZEURQ-JTQLQIEISA-N 1 0 303.399 2.308 10 0 DEAERO Cc1nn(CC[C@@H]2CCC[C@@]2([NH2+]C2CC2)C(N)=O)cc1Cl ZINC000093616002 193275324 /nfs/dbraw/zinc/27/53/24/193275324.db2.gz PBRXMDQJICFIGG-NHYWBVRUSA-N 1 0 310.829 2.011 10 0 DEAERO NC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1ccc(F)c(F)c1 ZINC000093627219 193276651 /nfs/dbraw/zinc/27/66/51/193276651.db2.gz OSKMJLQLSFGUIP-LKFCYVNXSA-N 1 0 300.374 2.430 10 0 DEAERO COCCCSCC[C@H]1CCC[C@]1([NH2+]C(C)C)C(N)=O ZINC000093631108 193277450 /nfs/dbraw/zinc/27/74/50/193277450.db2.gz ANYLWNWFXDRWDQ-UKRRQHHQSA-N 1 0 302.484 2.168 10 0 DEAERO CCC[NH2+][C@@H](Cc1c(Br)c(C)nn1C)[C@H](C)OC ZINC000093692256 193290280 /nfs/dbraw/zinc/29/02/80/193290280.db2.gz OVHGOXUYNVQPIL-QWRGUYRKSA-N 1 0 318.259 2.437 10 0 DEAERO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696677 193292281 /nfs/dbraw/zinc/29/22/81/193292281.db2.gz PECDTHDXBLBDGB-ILXRZTDVSA-N 1 0 302.484 2.074 10 0 DEAERO Cc1cccc([C@](C)([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093699158 193293121 /nfs/dbraw/zinc/29/31/21/193293121.db2.gz JPCWMWDVJPZMJE-GOEBONIOSA-N 1 0 310.463 2.231 10 0 DEAERO C[C@@H]1CCC[C@]([NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093699267 193293557 /nfs/dbraw/zinc/29/35/57/193293557.db2.gz DOEMZNSTRBXNID-QLFBSQMISA-N 1 0 302.484 2.346 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000093699793 193293880 /nfs/dbraw/zinc/29/38/80/193293880.db2.gz RKHOXYLANCQPDA-WFASDCNBSA-N 1 0 314.426 2.148 10 0 DEAERO C[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCC(C)CC1 ZINC000093700185 193293902 /nfs/dbraw/zinc/29/39/02/193293902.db2.gz WJXTUQYOKLIVAT-GYTBAZASSA-N 1 0 316.511 2.462 10 0 DEAERO CC1CCC([C@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093700179 193294199 /nfs/dbraw/zinc/29/41/99/193294199.db2.gz PQDGJYTWYOLCCE-OOJKYFRXSA-N 1 0 302.484 2.202 10 0 DEAERO CCc1ccc([C@@H]([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093699840 193294421 /nfs/dbraw/zinc/29/44/21/193294421.db2.gz YPMBZLWLBHNAAN-ZBFHGGJFSA-N 1 0 310.463 2.311 10 0 DEAERO C[NH2+][C@H](CCC[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093702291 193295672 /nfs/dbraw/zinc/29/56/72/193295672.db2.gz GMMHPJZDOKSTNN-ZIAGYGMSSA-N 1 0 304.500 2.462 10 0 DEAERO Fc1cc2nc([C@@H]3C[NH2+]CCO3)[nH]c2cc1Br ZINC000093728788 193297925 /nfs/dbraw/zinc/29/79/25/193297925.db2.gz PSUZNWSHVBDEBM-JTQLQIEISA-N 1 0 300.131 2.125 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H](N(C)CCC(F)(F)F)C1 ZINC000093756560 193301786 /nfs/dbraw/zinc/30/17/86/193301786.db2.gz ZCPFTDRQKJWWGV-WCQYABFASA-N 1 0 309.376 2.037 10 0 DEAERO Cc1cc(C)n2c(CN(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cnc2n1 ZINC000093644359 193282621 /nfs/dbraw/zinc/28/26/21/193282621.db2.gz WVFMVTJDYVVOFN-UKRRQHHQSA-N 1 0 301.438 2.261 10 0 DEAERO CS(=O)(=O)c1ccc(Cl)c(NCC2CC[NH2+]CC2)c1 ZINC000094009787 193338501 /nfs/dbraw/zinc/33/85/01/193338501.db2.gz GRPKWKJKHOIZQC-UHFFFAOYSA-N 1 0 302.827 2.155 10 0 DEAERO CC[NH2+][C@@]1(C(N)=O)CC[C@H](n2ccnc2-c2cccs2)C1 ZINC000093833584 193314316 /nfs/dbraw/zinc/31/43/16/193314316.db2.gz ZTQZBNWFGQJFPZ-NHYWBVRUSA-N 1 0 304.419 2.170 10 0 DEAERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2ccc(F)c(F)c2)C1 ZINC000093848795 193317546 /nfs/dbraw/zinc/31/75/46/193317546.db2.gz CPNSWLIREOXDHC-QMTHXVAHSA-N 1 0 300.374 2.443 10 0 DEAERO CCN(CC(C)(C)C[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000093892330 193323699 /nfs/dbraw/zinc/32/36/99/193323699.db2.gz CHQLRNYGPVDDSU-UHFFFAOYSA-N 1 0 320.405 2.494 10 0 DEAERO C[NH2+][C@@H](Cc1csc2ccccc12)[C@H]1CN(C)CCN1C ZINC000093894374 193324114 /nfs/dbraw/zinc/32/41/14/193324114.db2.gz REZTZWMFEFAOAL-JKSUJKDBSA-N 1 0 303.475 2.278 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(Cl)s1)[C@H]1CN(C)CCN1C ZINC000093895617 193324684 /nfs/dbraw/zinc/32/46/84/193324684.db2.gz XGDQPJFLRBZFIR-QWHCGFSZSA-N 1 0 301.887 2.168 10 0 DEAERO C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CN(C)CCN1C ZINC000093894521 193324745 /nfs/dbraw/zinc/32/47/45/193324745.db2.gz VSCMEPIDLAMXMM-KGLIPLIRSA-N 1 0 302.249 2.500 10 0 DEAERO C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)[C@H]1CN(C)CCN1C ZINC000093894770 193325865 /nfs/dbraw/zinc/32/58/65/193325865.db2.gz QBKZXIIGKNUKKO-ZIAGYGMSSA-N 1 0 301.356 2.212 10 0 DEAERO CCOc1ccc2nc([C@]3(C(F)(F)F)CC[NH2+]C3)[nH]c2n1 ZINC000094262385 193355316 /nfs/dbraw/zinc/35/53/16/193355316.db2.gz NTKLGZIDGCBMSJ-LBPRGKRZSA-N 1 0 300.284 2.150 10 0 DEAERO CCC[NH2+][C@H]1[C@H](S(=O)(=O)CCCOC)CCCC1(C)C ZINC000094281914 193356288 /nfs/dbraw/zinc/35/62/88/193356288.db2.gz WXWWIAUJHJWTLX-KGLIPLIRSA-N 1 0 305.484 2.385 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CCS(C)(=O)=O ZINC000094297251 193357229 /nfs/dbraw/zinc/35/72/29/193357229.db2.gz RWVZWHUZVKZQCL-ZIAGYGMSSA-N 1 0 318.870 2.095 10 0 DEAERO CCC[NH2+][C@H](CN(C)CCS(C)(=O)=O)c1ccccc1C ZINC000094298432 193357663 /nfs/dbraw/zinc/35/76/63/193357663.db2.gz LYHHRAODIWAJGF-MRXNPFEDSA-N 1 0 312.479 2.012 10 0 DEAERO CCC[NH2+][C@H]1CCCCCC[C@@H]1N(C)CCS(C)(=O)=O ZINC000094298406 193357774 /nfs/dbraw/zinc/35/77/74/193357774.db2.gz YGHFGHCQKWEZCK-GJZGRUSLSA-N 1 0 304.500 2.054 10 0 DEAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1N(C)CCS(C)(=O)=O ZINC000094298845 193357775 /nfs/dbraw/zinc/35/77/75/193357775.db2.gz DNGKRWHLIGPEHB-LBPRGKRZSA-N 1 0 316.442 2.367 10 0 DEAERO CC[NH2+][C@@H](CCN(C)CCS(C)(=O)=O)c1ccc(C)cc1 ZINC000094300428 193358536 /nfs/dbraw/zinc/35/85/36/193358536.db2.gz AYBPPNGMGUPBKO-INIZCTEOSA-N 1 0 312.479 2.012 10 0 DEAERO C[N@@H+]1CC[C@H](CNc2nc(C(F)(F)F)ccc2C(N)=S)C1 ZINC000094335997 193360248 /nfs/dbraw/zinc/36/02/48/193360248.db2.gz FWFNFYZSEQOGTJ-MRVPVSSYSA-N 1 0 318.368 2.098 10 0 DEAERO NC(=[NH2+])c1ccc(C(F)(F)F)nc1OC[C@@H]1CCCCO1 ZINC000094336831 193361378 /nfs/dbraw/zinc/36/13/78/193361378.db2.gz LMMYOJDRVORVJU-QMMMGPOBSA-N 1 0 303.284 2.332 10 0 DEAERO C[C@H]([NH3+])Cc1cc(F)c(OCCCC(=O)N(C)C)c(F)c1 ZINC000094350407 193363600 /nfs/dbraw/zinc/36/36/00/193363600.db2.gz PEYWSSXBWSMQCR-JTQLQIEISA-N 1 0 300.349 2.102 10 0 DEAERO CCNC(=O)[C@@H](C)Oc1c(F)cc(C[C@H]([NH3+])CC)cc1F ZINC000094350629 193363993 /nfs/dbraw/zinc/36/39/93/193363993.db2.gz MSZASDPMUJTUES-MWLCHTKSSA-N 1 0 300.349 2.148 10 0 DEAERO Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])ncc1Br ZINC000094063641 193342791 /nfs/dbraw/zinc/34/27/91/193342791.db2.gz VRXFZLURSXXVOC-ZJUUUORDSA-N 1 0 312.211 2.466 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000094135134 193346624 /nfs/dbraw/zinc/34/66/24/193346624.db2.gz DHRHDWHLQDHVNE-HNNXBMFYSA-N 1 0 318.417 2.466 10 0 DEAERO CCC1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094636192 193385943 /nfs/dbraw/zinc/38/59/43/193385943.db2.gz BSBGEOAGHBFASS-LVDPKSTMSA-N 1 0 317.495 2.263 10 0 DEAERO CCC[NH2+][C@H]([C@H]1CCC[C@H](S(C)(=O)=O)C1)C(C)(C)OC ZINC000094643010 193389217 /nfs/dbraw/zinc/38/92/17/193389217.db2.gz LJVQFIIGJPOVCW-MELADBBJSA-N 1 0 305.484 2.383 10 0 DEAERO COC(=O)CCC[N@H+](C)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094410646 193369000 /nfs/dbraw/zinc/36/90/00/193369000.db2.gz HOIFCRNZDSDUBH-CYBMUJFWSA-N 1 0 301.452 2.316 10 0 DEAERO C[N@@H+]1CCN(c2nc(Br)cn3ccnc23)CC1(C)C ZINC000094491069 193373213 /nfs/dbraw/zinc/37/32/13/193373213.db2.gz HCPWHAXPZVXCCF-UHFFFAOYSA-N 1 0 324.226 2.022 10 0 DEAERO C[NH+](C)CCCCNc1nc(Br)cn2ccnc12 ZINC000094490154 193373596 /nfs/dbraw/zinc/37/35/96/193373596.db2.gz JOXXKKLPCUPLQS-UHFFFAOYSA-N 1 0 312.215 2.246 10 0 DEAERO CC[N@@H+]1CCN(c2nc(Br)cn3ccnc23)C[C@@H]1C ZINC000094491064 193374002 /nfs/dbraw/zinc/37/40/02/193374002.db2.gz CRBDAJOEDGGGRZ-JTQLQIEISA-N 1 0 324.226 2.022 10 0 DEAERO C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CSCCS1 ZINC000094499558 193374173 /nfs/dbraw/zinc/37/41/73/193374173.db2.gz ZABJTKSSXIWSQP-ONGXEEELSA-N 1 0 305.900 2.361 10 0 DEAERO [NH3+][C@H]([C@@H]1CCOC2(CCSCC2)C1)[C@@H]1CSCCO1 ZINC000094502506 193374203 /nfs/dbraw/zinc/37/42/03/193374203.db2.gz MPBSLNGCJRTPHW-FRRDWIJNSA-N 1 0 303.493 2.138 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)[C@H]1CN2CCN1CC2 ZINC000094509283 193375122 /nfs/dbraw/zinc/37/51/22/193375122.db2.gz VISLGOLUGQCNRQ-LSDHHAIUSA-N 1 0 314.260 2.124 10 0 DEAERO C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094509334 193375194 /nfs/dbraw/zinc/37/51/94/193375194.db2.gz NGHYRYZZCSDAQA-UONOGXRCSA-N 1 0 300.233 2.254 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000094549630 193378789 /nfs/dbraw/zinc/37/87/89/193378789.db2.gz KJSCGOCYIQOWGR-RITPCOANSA-N 1 0 308.250 2.191 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000094549678 193378888 /nfs/dbraw/zinc/37/88/88/193378888.db2.gz HGKBDWJVMBSFJO-PELKAZGASA-N 1 0 315.186 2.398 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000094550169 193378989 /nfs/dbraw/zinc/37/89/89/193378989.db2.gz QOCKLHZUFWQGIX-MEQIJJHFSA-N 1 0 314.838 2.310 10 0 DEAERO [NH3+]CC[C@H]1CCCN(c2nc3ccc(Br)cn3n2)C1 ZINC000094608398 193384533 /nfs/dbraw/zinc/38/45/33/193384533.db2.gz HVKDZUCVKUAQJU-SNVBAGLBSA-N 1 0 324.226 2.057 10 0 DEAERO C[C@@H]1CCC[C@H](C[NH3+])N1c1nc2c(Br)cccn2n1 ZINC000094608388 193384535 /nfs/dbraw/zinc/38/45/35/193384535.db2.gz YXFWHASNHHIFRB-NXEZZACHSA-N 1 0 324.226 2.198 10 0 DEAERO C[C@@H](Nc1nc2c(Br)cccn2n1)[C@H]1CCC[NH2+]C1 ZINC000094607720 193384655 /nfs/dbraw/zinc/38/46/55/193384655.db2.gz KOOIBNHDFHMYPF-ZJUUUORDSA-N 1 0 324.226 2.292 10 0 DEAERO CN(C1CCC(C)(C)CC1)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000094859892 193403093 /nfs/dbraw/zinc/40/30/93/193403093.db2.gz PXNSNCRTPADWHZ-CYBMUJFWSA-N 1 0 302.484 2.359 10 0 DEAERO COc1ncnc2c1[nH]c(=S)n2[C@H](CC(C)C)C[NH+](C)C ZINC000094738891 193394695 /nfs/dbraw/zinc/39/46/95/193394695.db2.gz QIZMBNJQBKKKRK-SNVBAGLBSA-N 1 0 309.439 2.272 10 0 DEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)[C@]1(C)CCCO1 ZINC000094783533 193397689 /nfs/dbraw/zinc/39/76/89/193397689.db2.gz ZOUQLTQJVYPAHJ-YPMHNXCESA-N 1 0 316.243 2.191 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)CC[C@H]2CCCC[NH2+]2)C1 ZINC000094803537 193399342 /nfs/dbraw/zinc/39/93/42/193399342.db2.gz WEWDLUXUMQQBMX-CQSZACIVSA-N 1 0 302.484 2.361 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(C(N)=S)cc1)[N@@H+]1CCC(C)(C)C1 ZINC000094803238 193399640 /nfs/dbraw/zinc/39/96/40/193399640.db2.gz RKAQJBFAWQCPFI-NSHDSACASA-N 1 0 305.447 2.380 10 0 DEAERO CC1(C)CCN(S(=O)(=O)c2ccc(Cl)c(C[NH3+])c2)C1 ZINC000094814908 193399906 /nfs/dbraw/zinc/39/99/06/193399906.db2.gz DZUPKAHNQVFDIJ-UHFFFAOYSA-N 1 0 302.827 2.219 10 0 DEAERO Brc1cncc(NCCCC[NH+]2CCOCC2)c1 ZINC000264676935 204071426 /nfs/dbraw/zinc/07/14/26/204071426.db2.gz VXUOFZHMFSZNJX-UHFFFAOYSA-N 1 0 314.227 2.368 10 0 DEAERO COc1ccc([C@H]2C[C@H]2C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000096574842 193681153 /nfs/dbraw/zinc/68/11/53/193681153.db2.gz KZNCSGASHXKSKH-IAGOWNOFSA-N 1 0 302.418 2.351 10 0 DEAERO O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000265964235 205001800 /nfs/dbraw/zinc/00/18/00/205001800.db2.gz UOGRYBVOULNGAX-OAHLLOKOSA-N 1 0 311.389 2.389 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262777402 291551214 /nfs/dbraw/zinc/55/12/14/291551214.db2.gz NWQTWKLMWYYPCW-GHMZBOCLSA-N 1 0 302.827 2.019 10 0 DEAERO O=C(N[C@H]1CCc2c1cccc2O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000266161532 205148759 /nfs/dbraw/zinc/14/87/59/205148759.db2.gz ZWFLDMYTIVREHS-BBRMVZONSA-N 1 0 315.417 2.259 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1F)C[C@H]1CCS(=O)(=O)C1 ZINC000097462832 193722754 /nfs/dbraw/zinc/72/27/54/193722754.db2.gz YVGMWQYGQRHPHD-ZWNOBZJWSA-N 1 0 319.829 2.434 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000530237418 284382566 /nfs/dbraw/zinc/38/25/66/284382566.db2.gz VIKRKGAWQPBLGO-MWDXBVQZSA-N 1 0 303.402 2.407 10 0 DEAERO CC1CC[NH+](CCC(=O)Nc2cccc(C(N)=S)c2)CC1 ZINC000020017385 182179088 /nfs/dbraw/zinc/17/90/88/182179088.db2.gz JBQAXZPLQPZURO-UHFFFAOYSA-N 1 0 305.447 2.381 10 0 DEAERO C[C@@H]1CO[C@H](C[NH3+])CN1c1ncc(Cl)cc1Br ZINC000160113053 197387538 /nfs/dbraw/zinc/38/75/38/197387538.db2.gz IOSOUTGEYUNJRY-VXNVDRBHSA-N 1 0 320.618 2.050 10 0 DEAERO C[C@@H]([NH3+])Cc1cccc(Cl)c1OCCCS(C)(=O)=O ZINC000160101434 197386395 /nfs/dbraw/zinc/38/63/95/197386395.db2.gz HMRYGQVMACWMOZ-SNVBAGLBSA-N 1 0 305.827 2.043 10 0 DEAERO CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OCC(N)=O ZINC000020873074 182250703 /nfs/dbraw/zinc/25/07/03/182250703.db2.gz XDXHBRBHFYDTBU-SECBINFHSA-N 1 0 315.211 2.201 10 0 DEAERO O=S(=O)(N[C@H]1CC[NH2+]C2(CCCCC2)C1)C1CCCC1 ZINC000097835712 193764234 /nfs/dbraw/zinc/76/42/34/193764234.db2.gz OSOXFQQWJARTLR-ZDUSSCGKSA-N 1 0 300.468 2.303 10 0 DEAERO Fc1nc(F)c(F)c(NCCCC[NH+]2CCOCC2)c1F ZINC000267498923 206107701 /nfs/dbraw/zinc/10/77/01/206107701.db2.gz JKVZFXCONVJJCW-UHFFFAOYSA-N 1 0 307.291 2.162 10 0 DEAERO CCCC(CCC)(C(N)=S)C(=O)NCC1([NH+](C)C)CCC1 ZINC000097932875 193767402 /nfs/dbraw/zinc/76/74/02/193767402.db2.gz MJOFPWUGZGMZSM-UHFFFAOYSA-N 1 0 313.511 2.460 10 0 DEAERO C[C@@H]1CN(C(=O)CC/C=C/c2ccccc2)C[C@H](C)[N@H+]1CCO ZINC000456209457 247016430 /nfs/dbraw/zinc/01/64/30/247016430.db2.gz KLCUZOVUKSQAAV-CHAYFFTQSA-N 1 0 316.445 2.394 10 0 DEAERO O[C@@H](C[NH2+]Cc1ccc(C2CCCC2)cc1)Cn1ccnn1 ZINC000459701992 248663830 /nfs/dbraw/zinc/66/38/30/248663830.db2.gz FNKQQCJMIYSCPM-KRWDZBQOSA-N 1 0 300.406 2.086 10 0 DEAERO OC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000038114785 182993316 /nfs/dbraw/zinc/99/33/16/182993316.db2.gz NSLIKARTAXQBOZ-ZWNOBZJWSA-N 1 0 318.186 2.390 10 0 DEAERO CCC[NH2+]CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000038690732 183006529 /nfs/dbraw/zinc/00/65/29/183006529.db2.gz LQNHUVWURDTGCF-UHFFFAOYSA-N 1 0 310.419 2.352 10 0 DEAERO COCc1c(Br)cccc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000040491840 183080604 /nfs/dbraw/zinc/08/06/04/183080604.db2.gz USDWRDMPIGVETJ-LBPRGKRZSA-N 1 0 313.195 2.286 10 0 DEAERO Cc1cc(C)c(C(N)=S)c(N(C)CCc2ccncc2)[nH+]1 ZINC000040514888 183088999 /nfs/dbraw/zinc/08/89/99/183088999.db2.gz DZOHFLOKBGYYMJ-UHFFFAOYSA-N 1 0 300.431 2.407 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2c3ncsc3ccc2Cl)C1 ZINC000040632733 183111612 /nfs/dbraw/zinc/11/16/12/183111612.db2.gz JEDIJPLIOFRBRF-VXNVDRBHSA-N 1 0 311.794 2.265 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000040832820 183139479 /nfs/dbraw/zinc/13/94/79/183139479.db2.gz KYXSMQKXQYZKKA-GXFFZTMASA-N 1 0 300.349 2.320 10 0 DEAERO O=S(=O)(c1ccccc1NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)F ZINC000040746417 183128990 /nfs/dbraw/zinc/12/89/90/183128990.db2.gz VMWHINPPAHBZQM-ZACCUICWSA-N 1 0 316.373 2.378 10 0 DEAERO CC(C)[C@@H]([NH3+])C(=O)NCc1cc(Br)ccc1F ZINC000041069515 183162623 /nfs/dbraw/zinc/16/26/23/183162623.db2.gz VIQFOKAMOMTGMW-LLVKDONJSA-N 1 0 303.175 2.188 10 0 DEAERO CCOC(=O)COC[C@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000041071902 183162891 /nfs/dbraw/zinc/16/28/91/183162891.db2.gz MTTWKAKRNYSRNU-NSHDSACASA-N 1 0 307.268 2.165 10 0 DEAERO OC[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(Br)s1 ZINC000041703001 183218563 /nfs/dbraw/zinc/21/85/63/183218563.db2.gz WVBWCCWHGDATHO-DTWKUNHWSA-N 1 0 306.225 2.313 10 0 DEAERO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1F ZINC000041664123 183214047 /nfs/dbraw/zinc/21/40/47/183214047.db2.gz NSEGPYZPVTYMCI-CYBMUJFWSA-N 1 0 321.396 2.063 10 0 DEAERO COCC[NH2+]CCN(C)Cc1ccc(Br)s1 ZINC000042427899 183269501 /nfs/dbraw/zinc/26/95/01/183269501.db2.gz RKLZKGQCNMATNR-UHFFFAOYSA-N 1 0 307.257 2.178 10 0 DEAERO COCC[NH2+]CCN(C)Cc1ccc(F)c(Br)c1 ZINC000042428097 183269797 /nfs/dbraw/zinc/26/97/97/183269797.db2.gz FRAOCQHCXRYLJB-UHFFFAOYSA-N 1 0 319.218 2.256 10 0 DEAERO CN(Cc1ccc(Br)cc1)C1(C[NH3+])CCOCC1 ZINC000042439830 183269993 /nfs/dbraw/zinc/26/99/93/183269993.db2.gz QIYIUJGIURBHJE-UHFFFAOYSA-N 1 0 313.239 2.389 10 0 DEAERO CN(Cc1cccc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000042440346 183270148 /nfs/dbraw/zinc/27/01/48/183270148.db2.gz UGJJCONYWYJQPJ-UHFFFAOYSA-N 1 0 313.239 2.389 10 0 DEAERO COCCN([C@@H](C[NH3+])c1ccc(Br)o1)C1CC1 ZINC000042517941 183279682 /nfs/dbraw/zinc/27/96/82/183279682.db2.gz WYQXFSHKPUZZSH-JTQLQIEISA-N 1 0 303.200 2.153 10 0 DEAERO Cc1cc(NS(=O)(=O)[C@H]2CCC[NH2+]C2)c2ccccc2n1 ZINC000042341386 183256157 /nfs/dbraw/zinc/25/61/57/183256157.db2.gz TYLXXVFJQYHLMV-LBPRGKRZSA-N 1 0 305.403 2.037 10 0 DEAERO CC[NH+]1CCC(N(C)Cc2ccc(C(N)=S)cc2F)CC1 ZINC000042679855 183296394 /nfs/dbraw/zinc/29/63/94/183296394.db2.gz BQLCJDQRCKDTPH-UHFFFAOYSA-N 1 0 309.454 2.376 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1ccc(F)cc1 ZINC000042944048 183319691 /nfs/dbraw/zinc/31/96/91/183319691.db2.gz YZCCEOGMIXSIOA-MFKMUULPSA-N 1 0 307.398 2.351 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)N(C)C ZINC000042945271 183319883 /nfs/dbraw/zinc/31/98/83/183319883.db2.gz YVUFUAKSUZBBDL-KCPJHIHWSA-N 1 0 309.841 2.281 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)NC ZINC000042946420 183320529 /nfs/dbraw/zinc/32/05/29/183320529.db2.gz TYUACKBSMNSQOG-KFWWJZLASA-N 1 0 309.841 2.329 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(CC(N)=O)C1CCCC1 ZINC000042946603 183320926 /nfs/dbraw/zinc/32/09/26/183320926.db2.gz WRUJCHVBHJWURL-BZNIZROVSA-N 1 0 309.841 2.458 10 0 DEAERO CCCN(CCO)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042954328 183321422 /nfs/dbraw/zinc/32/14/22/183321422.db2.gz RHHAOTDOHMDEPD-ZDUSSCGKSA-N 1 0 301.228 2.153 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCC[C@H](O)C1 ZINC000042953532 183321908 /nfs/dbraw/zinc/32/19/08/183321908.db2.gz XETFDUMZLJOUDK-LEWSCRJBSA-N 1 0 313.239 2.294 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1cccc(Cl)c1 ZINC000043019692 183328903 /nfs/dbraw/zinc/32/89/03/183328903.db2.gz PEHYNGMMBUOGPY-JVXZTZIISA-N 1 0 310.810 2.186 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1C ZINC000043041989 183331945 /nfs/dbraw/zinc/33/19/45/183331945.db2.gz MSBZIEOPCJLJSV-BXUZGUMPSA-N 1 0 304.419 2.231 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cccs1)N1CCN(c2nccs2)CC1 ZINC000043102885 183338248 /nfs/dbraw/zinc/33/82/48/183338248.db2.gz MQXYXONKZSXHLG-WCQYABFASA-N 1 0 308.476 2.415 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCS(=O)CC1 ZINC000043253572 183348364 /nfs/dbraw/zinc/34/83/64/183348364.db2.gz GLSFXWAZRITGFY-BXKDBHETSA-N 1 0 306.884 2.244 10 0 DEAERO Cc1nc(C)n([C@H](C[NH3+])c2cc(Br)cs2)n1 ZINC000043288136 183351290 /nfs/dbraw/zinc/35/12/90/183351290.db2.gz KLADZDQRRFODSE-SECBINFHSA-N 1 0 301.213 2.267 10 0 DEAERO COc1ccc2ccccc2c1[C@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000043300089 183351947 /nfs/dbraw/zinc/35/19/47/183351947.db2.gz KBYFAIVAUSEYKZ-MLGOLLRUSA-N 1 0 305.399 2.283 10 0 DEAERO CN(C)C(C)(C)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000043411401 183359427 /nfs/dbraw/zinc/35/94/27/183359427.db2.gz PWCRINXVJLHECU-CYBMUJFWSA-N 1 0 315.255 2.412 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N1CCC(O)CC1 ZINC000043090630 183335511 /nfs/dbraw/zinc/33/55/11/183335511.db2.gz UTNNADCODZLTLU-YGRLFVJLSA-N 1 0 313.239 2.294 10 0 DEAERO CC[NH2+]Cc1ccc(OCCS(=O)(=O)CC)c(Cl)c1 ZINC000043478806 183365814 /nfs/dbraw/zinc/36/58/14/183365814.db2.gz IHBVTKUPMLSQLS-UHFFFAOYSA-N 1 0 305.827 2.263 10 0 DEAERO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](CCC(N)=S)CC(C)C ZINC000043418468 183361006 /nfs/dbraw/zinc/36/10/06/183361006.db2.gz MXJNLCRCPGXSKP-OLZOCXBDSA-N 1 0 301.500 2.314 10 0 DEAERO COC(=O)c1cc(Br)cc2n[nH]c(C[C@H](C)[NH3+])c21 ZINC000044463543 183411446 /nfs/dbraw/zinc/41/14/46/183411446.db2.gz VRYZHHJSRLMCOR-LURJTMIESA-N 1 0 312.167 2.002 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N(CC)CC(F)(F)F)OCCO2 ZINC000043980312 183391451 /nfs/dbraw/zinc/39/14/51/183391451.db2.gz GVTNGWDIXIEIBW-RYUDHWBXSA-N 1 0 310.360 2.144 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000044317588 183405486 /nfs/dbraw/zinc/40/54/86/183405486.db2.gz DDAMSLGYZURGNW-UHFFFAOYSA-N 1 0 301.184 2.208 10 0 DEAERO Cn1cc(Cl)cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000274126052 211377686 /nfs/dbraw/zinc/37/76/86/211377686.db2.gz WWWTVICTPVTXIS-PWSUYJOCSA-N 1 0 308.769 2.264 10 0 DEAERO CCC[NH2+][C@@](C)(CCC[NH+]1CCC(OCC)CC1)C(=O)[O-] ZINC000045420129 183505455 /nfs/dbraw/zinc/50/54/55/183505455.db2.gz GJQIOTBUPWEFIF-INIZCTEOSA-N 1 0 300.443 2.110 10 0 DEAERO CC(C)[NH2+][C@](C)(CCCOc1ccc(F)cc1F)C(N)=O ZINC000045508511 183512546 /nfs/dbraw/zinc/51/25/46/183512546.db2.gz UZTXMXLSFXRUGT-OAHLLOKOSA-N 1 0 300.349 2.366 10 0 DEAERO CCCN(CC[NH+](C)C)CC(=O)Nc1ccc(N)cc1Cl ZINC000045663068 183521778 /nfs/dbraw/zinc/52/17/78/183521778.db2.gz YNLPEHITEOHOHN-UHFFFAOYSA-N 1 0 312.845 2.134 10 0 DEAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCOc2cccc3ccccc32)C1 ZINC000284561630 218078546 /nfs/dbraw/zinc/07/85/46/218078546.db2.gz ILCRAJHWDZCKHF-JKSUJKDBSA-N 1 0 301.386 2.300 10 0 DEAERO COCCN(CC[NH+](C)C)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000105032681 194065483 /nfs/dbraw/zinc/06/54/83/194065483.db2.gz PIVRLKOFVWDAKC-CQSZACIVSA-N 1 0 323.437 2.436 10 0 DEAERO O=C(NCCc1c(F)cccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105162603 194080563 /nfs/dbraw/zinc/08/05/63/194080563.db2.gz QIRKCSDZDNRGJR-CYBMUJFWSA-N 1 0 323.387 2.387 10 0 DEAERO C[C@@H]1C[N@H+](Cc2c(F)cccc2Br)C[C@H]1C(N)=O ZINC000284760757 218165389 /nfs/dbraw/zinc/16/53/89/218165389.db2.gz GFYRJGVPCSCYKN-RKDXNWHRSA-N 1 0 315.186 2.141 10 0 DEAERO CCc1nc(CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cs1 ZINC000105227890 194086669 /nfs/dbraw/zinc/08/66/69/194086669.db2.gz GKPVITGBJFELQJ-CQSZACIVSA-N 1 0 322.478 2.128 10 0 DEAERO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000284819716 218191424 /nfs/dbraw/zinc/19/14/24/218191424.db2.gz OFZUYKFWNPHPMA-KZNAEPCWSA-N 1 0 305.418 2.195 10 0 DEAERO CC[C@@H](CO)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105783256 194125858 /nfs/dbraw/zinc/12/58/58/194125858.db2.gz VUIHBBXSZVWOSY-MCIONIFRSA-N 1 0 300.443 2.383 10 0 DEAERO Cc1noc(C)c1C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000105800783 194131755 /nfs/dbraw/zinc/13/17/55/194131755.db2.gz IFPVLZRJQXVHDQ-UHFFFAOYSA-N 1 0 301.394 2.102 10 0 DEAERO CCNc1cc(NCC[S@](C)=O)nc(-c2ccccc2)[nH+]1 ZINC000159439707 197353720 /nfs/dbraw/zinc/35/37/20/197353720.db2.gz PPJBFHOATZAVRO-OAQYLSRUSA-N 1 0 304.419 2.366 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2nc3ccccc3n2C(F)F)CCO1 ZINC000105925799 194171045 /nfs/dbraw/zinc/17/10/45/194171045.db2.gz IBYWGXLSJXFJHL-LBPRGKRZSA-N 1 0 324.375 2.194 10 0 DEAERO Brc1ccc(OCC[NH2+]C[C@H]2CCOC2)cc1 ZINC000049596089 183744874 /nfs/dbraw/zinc/74/48/74/183744874.db2.gz CCKDFAZNELCRFY-LLVKDONJSA-N 1 0 300.196 2.454 10 0 DEAERO C[C@H](C(N)=S)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000109471103 194266622 /nfs/dbraw/zinc/26/66/22/194266622.db2.gz LACFKBPCBMPRQR-SNVBAGLBSA-N 1 0 306.460 2.093 10 0 DEAERO O=C(Nc1cccc(C[NH2+][C@@H]2CCCOC2)c1)C(F)(F)F ZINC000109545920 194272911 /nfs/dbraw/zinc/27/29/11/194272911.db2.gz AFPOAKWRFLVHBT-GFCCVEGCSA-N 1 0 302.296 2.456 10 0 DEAERO C[NH2+][C@@H]1C(=O)Nc2cc(OCCc3scnc3C)ccc21 ZINC000109574238 194274605 /nfs/dbraw/zinc/27/46/05/194274605.db2.gz RMNKZUXAOFWWKJ-AWEZNQCLSA-N 1 0 303.387 2.286 10 0 DEAERO CCc1ccc(CN2CC[NH+](C(C)(C)C(N)=S)CC2)s1 ZINC000109470937 194266778 /nfs/dbraw/zinc/26/67/78/194266778.db2.gz PMKFLGHZNCNQOG-UHFFFAOYSA-N 1 0 311.520 2.493 10 0 DEAERO CC[C@@H](C(N)=S)[NH+]1CCN(Cc2cccc(F)c2F)CC1 ZINC000109469381 194267484 /nfs/dbraw/zinc/26/74/84/194267484.db2.gz FKMXAXWSWYXBNR-ZDUSSCGKSA-N 1 0 313.417 2.147 10 0 DEAERO CC(C)[NH2+]CCOCC(=O)Nc1cccc(Br)c1 ZINC000051862941 183839414 /nfs/dbraw/zinc/83/94/14/183839414.db2.gz VMSVFMJBPWNNQF-UHFFFAOYSA-N 1 0 315.211 2.402 10 0 DEAERO C[C@H]([NH3+])c1cc(Br)ccc1O[C@H]1CCOC1=O ZINC000052066534 183849462 /nfs/dbraw/zinc/84/94/62/183849462.db2.gz OJDDSGFRAVAKNQ-CPCISQLKSA-N 1 0 300.152 2.163 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(F)c(F)c1 ZINC000110084923 194308776 /nfs/dbraw/zinc/30/87/76/194308776.db2.gz MDTHVKCQTCCEDG-LBPRGKRZSA-N 1 0 313.348 2.197 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C)cc1F ZINC000110085719 194309161 /nfs/dbraw/zinc/30/91/61/194309161.db2.gz WZRXKTHUYLLWTM-CYBMUJFWSA-N 1 0 309.385 2.366 10 0 DEAERO NC(=[NH2+])c1c(Cl)cccc1Sc1ncnc2[nH]cnc21 ZINC000052908158 183879505 /nfs/dbraw/zinc/87/95/05/183879505.db2.gz SGJHTZFVHIEKJD-UHFFFAOYSA-N 1 0 304.766 2.442 10 0 DEAERO CC(C)CCOCC[C@@H](C[NH2+]C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052951447 183881703 /nfs/dbraw/zinc/88/17/03/183881703.db2.gz CWRFPWJWBMWVRE-HOTGVXAUSA-N 1 0 319.511 2.488 10 0 DEAERO CC(C)(C)[NH2+]C[C@@H](CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000052952011 183882177 /nfs/dbraw/zinc/88/21/77/183882177.db2.gz AYOWYBFVEONUPK-HUUCEWRRSA-N 1 0 317.495 2.242 10 0 DEAERO C[C@@H]1Cc2ccccc2N(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000110389893 194327097 /nfs/dbraw/zinc/32/70/97/194327097.db2.gz GWGMTSBXMZPUIX-ZIAGYGMSSA-N 1 0 308.447 2.015 10 0 DEAERO CC(C)C[NH2+]C[C@H]1CCCN1c1ccc(S(C)(=O)=O)cc1 ZINC000053697317 183909922 /nfs/dbraw/zinc/90/99/22/183909922.db2.gz IBUBJVWFBOKBRA-OAHLLOKOSA-N 1 0 310.463 2.305 10 0 DEAERO CCOCCCC[NH2+]CCn1cc(Br)ccc1=O ZINC000053522994 183905291 /nfs/dbraw/zinc/90/52/91/183905291.db2.gz KRDWOLVETFZQJV-UHFFFAOYSA-N 1 0 317.227 2.017 10 0 DEAERO COCCC[NH2+]C[C@@H](C)n1nc(C)c(Br)c1C ZINC000053535112 183905600 /nfs/dbraw/zinc/90/56/00/183905600.db2.gz LSQSLSKXJUKSSZ-SECBINFHSA-N 1 0 304.232 2.450 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCc2cc(Br)ccc2C1 ZINC000110830110 194362377 /nfs/dbraw/zinc/36/23/77/194362377.db2.gz SYNHPZKQIOSBGB-AWEZNQCLSA-N 1 0 311.223 2.162 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110928068 194370151 /nfs/dbraw/zinc/37/01/51/194370151.db2.gz HRYVVAHCYXZCCD-GFCCVEGCSA-N 1 0 302.827 2.021 10 0 DEAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000110942458 194371756 /nfs/dbraw/zinc/37/17/56/194371756.db2.gz ZKEGMAPEYNDLPK-CYBMUJFWSA-N 1 0 314.426 2.287 10 0 DEAERO C[C@H](C(=O)Nc1ccc(Cl)cc1N)N(C)CCC[NH+](C)C ZINC000111130709 194393569 /nfs/dbraw/zinc/39/35/69/194393569.db2.gz TTYLUJVHZHPFSC-LLVKDONJSA-N 1 0 312.845 2.133 10 0 DEAERO CC[NH2+]Cc1c(N(C)C[C@H]2CCCOC2)nc2sccn12 ZINC000111166672 194397366 /nfs/dbraw/zinc/39/73/66/194397366.db2.gz SDCXUTQKYIJWJW-GFCCVEGCSA-N 1 0 308.451 2.368 10 0 DEAERO CCN[C@](C)(C[C@@H](C)[N@H+](C)CCOC(C)C)C(=O)OCC ZINC000157527651 197194331 /nfs/dbraw/zinc/19/43/31/197194331.db2.gz JSCLCPAMERVPPO-GDBMZVCRSA-N 1 0 302.459 2.053 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000061270079 184167312 /nfs/dbraw/zinc/16/73/12/184167312.db2.gz UQWYKTDYIWFBAW-JTQLQIEISA-N 1 0 311.813 2.368 10 0 DEAERO C[NH2+]C(C)(C)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000061316895 184168046 /nfs/dbraw/zinc/16/80/46/184168046.db2.gz HPESFYGMTUHXQT-UHFFFAOYSA-N 1 0 315.870 2.044 10 0 DEAERO CC[NH+](CC)C[C@@H](C)Nc1nc(Cl)nc(N2CCCC2)n1 ZINC000061541603 184174078 /nfs/dbraw/zinc/17/40/78/184174078.db2.gz CLLWRIQLOBLEAF-LLVKDONJSA-N 1 0 312.849 2.267 10 0 DEAERO CCn1c(S[C@H](c2cccc(Cl)c2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594445 184175933 /nfs/dbraw/zinc/17/59/33/184175933.db2.gz FOJVBISFTKZYEZ-KWQFWETISA-N 1 0 312.826 2.425 10 0 DEAERO CCCn1c(S[C@H](c2ccc(C)o2)[C@H]([NH3+])CC)n[nH]c1=O ZINC000061594978 184176399 /nfs/dbraw/zinc/17/63/99/184176399.db2.gz OETRREZILXVHIQ-PWSUYJOCSA-N 1 0 310.423 2.454 10 0 DEAERO COC(=O)c1sccc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612679 184178749 /nfs/dbraw/zinc/17/87/49/184178749.db2.gz SREKSCSCXUZKHD-NSHDSACASA-N 1 0 304.371 2.216 10 0 DEAERO CCC[NH2+]Cc1cc(Cl)c(O[C@@H](CC)C(N)=O)c(OC)c1 ZINC000061675678 184181805 /nfs/dbraw/zinc/18/18/05/184181805.db2.gz MLGPBIVPEPRPCJ-LBPRGKRZSA-N 1 0 314.813 2.491 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CC[C@H](O)C1 ZINC000061709889 184184797 /nfs/dbraw/zinc/18/47/97/184184797.db2.gz LGWRHMPMUYWARU-AUTRQRHGSA-N 1 0 319.268 2.356 10 0 DEAERO COc1cc(Cl)c([C@@H]([NH3+])C[C@H](C)CC(N)=O)cc1OC ZINC000061830331 184188976 /nfs/dbraw/zinc/18/89/76/184188976.db2.gz JHZKEFQVHJHABF-KWQFWETISA-N 1 0 300.786 2.259 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)NCC[C@@H](C)c1ccccc1 ZINC000061911536 184195264 /nfs/dbraw/zinc/19/52/64/184195264.db2.gz BADLUXBJKRXPMZ-OAHLLOKOSA-N 1 0 312.479 2.488 10 0 DEAERO C[NH2+][C@@H](C)c1sc(N2CCN(CC(F)(F)F)CC2)nc1C ZINC000061948508 184198078 /nfs/dbraw/zinc/19/80/78/184198078.db2.gz MUBRZZCUGPSHPS-VIFPVBQESA-N 1 0 322.400 2.416 10 0 DEAERO CC[NH2+]CCS(=O)(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000062010848 184200983 /nfs/dbraw/zinc/20/09/83/184200983.db2.gz CABZJFFKJKNFMU-LLVKDONJSA-N 1 0 304.843 2.272 10 0 DEAERO C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000062027782 184201965 /nfs/dbraw/zinc/20/19/65/184201965.db2.gz WRVTXUPFTAQRGS-RYUDHWBXSA-N 1 0 316.854 2.415 10 0 DEAERO COCCC[N@H+](C)CCCC[C@@](C)(NC(C)C)C(=O)OC ZINC000062034878 184203018 /nfs/dbraw/zinc/20/30/18/184203018.db2.gz CYLYHXBOGRALLX-MRXNPFEDSA-N 1 0 302.459 2.055 10 0 DEAERO Brc1ccc(Cc2noc([C@@H]3CC[NH2+]C3)n2)cc1 ZINC000062119640 184206833 /nfs/dbraw/zinc/20/68/33/184206833.db2.gz VVJSXJCZSZVTSC-SNVBAGLBSA-N 1 0 308.179 2.500 10 0 DEAERO COC(=O)CC[C@@H]([NH3+])Cc1cc(Br)ccc1F ZINC000061893053 184193239 /nfs/dbraw/zinc/19/32/39/184193239.db2.gz STLHQFYBEIYDTK-SNVBAGLBSA-N 1 0 304.159 2.411 10 0 DEAERO CC(C)N1C(=O)CC[C@H]([NH3+])[C@@H]1c1ccc(Br)o1 ZINC000062211600 184221604 /nfs/dbraw/zinc/22/16/04/184221604.db2.gz LXJQOPFMWPHTAJ-QPUJVOFHSA-N 1 0 301.184 2.441 10 0 DEAERO CN(C)[C@@H](C(=O)N1CC[NH+](CC(C)(C)C)CC1)c1ccccc1 ZINC000062455695 184237403 /nfs/dbraw/zinc/23/74/03/184237403.db2.gz DCOLSUVBTZMYMG-QGZVFWFLSA-N 1 0 317.477 2.480 10 0 DEAERO CC(C)[NH2+][C@@H](CCOc1ccccc1C(F)(F)F)C(N)=O ZINC000062546967 184242278 /nfs/dbraw/zinc/24/22/78/184242278.db2.gz AKXWIXGAEYFWTQ-NSHDSACASA-N 1 0 304.312 2.326 10 0 DEAERO CCC(=O)N1CCN(C2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000062554775 184242402 /nfs/dbraw/zinc/24/24/02/184242402.db2.gz OIMQNCGJPZKWEG-UHFFFAOYSA-N 1 0 315.461 2.162 10 0 DEAERO CCOC(=O)[C@H](C)Oc1ccc(Cl)cc1C[NH2+]CCOC ZINC000062731121 184251497 /nfs/dbraw/zinc/25/14/97/184251497.db2.gz BCIBVADGXANBRI-NSHDSACASA-N 1 0 315.797 2.406 10 0 DEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCC(=O)NCC(F)(F)F ZINC000062746171 184251851 /nfs/dbraw/zinc/25/18/51/184251851.db2.gz ZZGBLEZTCMRPRN-MRVPVSSYSA-N 1 0 308.275 2.163 10 0 DEAERO C[C@@]1(C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)CCC[NH2+]C1 ZINC000062855135 184256525 /nfs/dbraw/zinc/25/65/25/184256525.db2.gz WKBDQNOXGUWIRT-OAHLLOKOSA-N 1 0 307.781 2.163 10 0 DEAERO CCC[C@@]1(CN2CCN(CC(F)(F)F)CC2)CCC[NH2+]C1 ZINC000062868037 184257130 /nfs/dbraw/zinc/25/71/30/184257130.db2.gz KMYXMUWOBLHIGX-CQSZACIVSA-N 1 0 307.404 2.336 10 0 DEAERO CNc1ncc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000062943560 184261658 /nfs/dbraw/zinc/26/16/58/184261658.db2.gz XPNHSOXAEPXKFU-LBPRGKRZSA-N 1 0 308.813 2.087 10 0 DEAERO CC[NH2+]Cc1ccc(OCC(=O)OC)c(Br)c1 ZINC000062701176 184247739 /nfs/dbraw/zinc/24/77/39/184247739.db2.gz XVGQNQVWISTZEB-UHFFFAOYSA-N 1 0 302.168 2.110 10 0 DEAERO CCC[NH2+]Cc1ccc(O[C@@H](C)C(N)=O)c(Br)c1 ZINC000062701556 184247928 /nfs/dbraw/zinc/24/79/28/184247928.db2.gz HKRNMGOWOHXNHZ-VIFPVBQESA-N 1 0 315.211 2.201 10 0 DEAERO CNC(=O)COc1ccc(C[NH2+]C(C)C)cc1Br ZINC000062702076 184248150 /nfs/dbraw/zinc/24/81/50/184248150.db2.gz TVYXDLFAXGSVSY-UHFFFAOYSA-N 1 0 315.211 2.072 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000063213498 184278264 /nfs/dbraw/zinc/27/82/64/184278264.db2.gz PQIVCSRJWHGKGI-QWHCGFSZSA-N 1 0 302.827 2.278 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1ccc(Br)cn1 ZINC000063210042 184278310 /nfs/dbraw/zinc/27/83/10/184278310.db2.gz JYBAREFNZPGMDQ-QWRGUYRKSA-N 1 0 312.211 2.234 10 0 DEAERO Cn1cc(Br)cc1C(=O)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063211067 184278414 /nfs/dbraw/zinc/27/84/14/184278414.db2.gz WEQVZVMUWXPELJ-MNOVXSKESA-N 1 0 314.227 2.177 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)N[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000063213460 184278445 /nfs/dbraw/zinc/27/84/45/184278445.db2.gz VAIOYIGRYXMMTH-CHWSQXEVSA-N 1 0 300.399 2.072 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Cl)ccc2NN)C1 ZINC000062985093 184264774 /nfs/dbraw/zinc/26/47/74/184264774.db2.gz AGQVYGIOEBIZCQ-LBPRGKRZSA-N 1 0 310.829 2.182 10 0 DEAERO CCCNc1ccc(Cl)c(C(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000062984766 184264791 /nfs/dbraw/zinc/26/47/91/184264791.db2.gz VMONGLIDTRGKGK-NSHDSACASA-N 1 0 310.829 2.333 10 0 DEAERO Cc1ccc(C(N)=[NH2+])c(Sc2ccc(S(C)(=O)=O)cc2)n1 ZINC000063131370 184272212 /nfs/dbraw/zinc/27/22/12/184272212.db2.gz WICVJIZPSIDHLU-UHFFFAOYSA-N 1 0 321.427 2.229 10 0 DEAERO CN([C@@H](C[NH3+])c1ccc(F)c(Br)c1)[C@@H]1CCOC1 ZINC000158684032 197293558 /nfs/dbraw/zinc/29/35/58/197293558.db2.gz CHLGNTOJOJRAMQ-MFKMUULPSA-N 1 0 317.202 2.309 10 0 DEAERO O=C([C@H]1CCC[NH2+]C1)N1CCCn2cc(-c3ccccc3)nc21 ZINC000065259488 184319025 /nfs/dbraw/zinc/31/90/25/184319025.db2.gz WQMSYLBCWWSRLV-HNNXBMFYSA-N 1 0 310.401 2.286 10 0 DEAERO CNC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000066212916 184397103 /nfs/dbraw/zinc/39/71/03/184397103.db2.gz SUNISGAALLWOHH-ZDUSSCGKSA-N 1 0 311.385 2.336 10 0 DEAERO OCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000188002801 207369458 /nfs/dbraw/zinc/36/94/58/207369458.db2.gz KKMDDVQDXHUNDT-FUHWJXTLSA-N 1 0 303.450 2.187 10 0 DEAERO C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188003023 207369701 /nfs/dbraw/zinc/36/97/01/207369701.db2.gz VVKIHWQIBZVLET-BBRMVZONSA-N 1 0 302.418 2.494 10 0 DEAERO C[C@@H]1CC[C@@H](NS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000068585561 184493089 /nfs/dbraw/zinc/49/30/89/184493089.db2.gz XLIKRNNCICXMFW-CBBWQLFWSA-N 1 0 302.484 2.263 10 0 DEAERO COC(=O)CCOc1c(Br)cccc1C[C@@H](C)[NH3+] ZINC000069318945 184506860 /nfs/dbraw/zinc/50/68/60/184506860.db2.gz GLWOYJLFEPGPEM-SECBINFHSA-N 1 0 316.195 2.281 10 0 DEAERO CCOC(=O)[C@@]1(NCC[NH+](C)C)CCC[C@H](C(F)(F)F)C1 ZINC000069385616 184511494 /nfs/dbraw/zinc/51/14/94/184511494.db2.gz ZBGAFCFVTVVFSK-WCQYABFASA-N 1 0 310.360 2.192 10 0 DEAERO COc1ccc(CN(C)c2cc(NN)[nH+]c(SC)n2)cc1 ZINC000159312207 197344209 /nfs/dbraw/zinc/34/42/09/197344209.db2.gz BKETYAJNXGOPDV-UHFFFAOYSA-N 1 0 305.407 2.129 10 0 DEAERO C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N(C)CCC[NH+](C)C ZINC000537215154 284987379 /nfs/dbraw/zinc/98/73/79/284987379.db2.gz RFGBLXWCXHDKHF-AWEZNQCLSA-N 1 0 304.434 2.353 10 0 DEAERO C[C@H]([NH3+])c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000162040776 197539285 /nfs/dbraw/zinc/53/92/85/197539285.db2.gz UCEKZBMWAPZCJM-LBPRGKRZSA-N 1 0 302.399 2.458 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1c(F)cccc1F ZINC000538126112 285026172 /nfs/dbraw/zinc/02/61/72/285026172.db2.gz UQMBIWNLRSRFMI-XQQFMLRXSA-N 1 0 315.360 2.172 10 0 DEAERO CCC[C@@H](C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1)[NH+](C)C ZINC000120064029 195090187 /nfs/dbraw/zinc/09/01/87/195090187.db2.gz AQWXWNZBMSFUIF-WFASDCNBSA-N 1 0 321.421 2.329 10 0 DEAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)o1 ZINC000120003033 195077871 /nfs/dbraw/zinc/07/78/71/195077871.db2.gz XIMYJPZYPXUGQX-AAEUAGOBSA-N 1 0 302.378 2.112 10 0 DEAERO Cc1cc(CC[NH2+]Cc2ccccc2N2CCOCC2)on1 ZINC000556847527 291847603 /nfs/dbraw/zinc/84/76/03/291847603.db2.gz RXXDVWHDQHZMKJ-UHFFFAOYSA-N 1 0 301.390 2.152 10 0 DEAERO CCOc1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])CCCOC ZINC000159276049 197342134 /nfs/dbraw/zinc/34/21/34/197342134.db2.gz WIBMSCLIEGVYKE-NSHDSACASA-N 1 0 300.786 2.431 10 0 DEAERO CC(C)n1c(C[NH3+])nnc1SCc1nnc(Cl)s1 ZINC000159259455 197340174 /nfs/dbraw/zinc/34/01/74/197340174.db2.gz NKFQJQXXFKLCAA-UHFFFAOYSA-N 1 0 304.832 2.115 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159101877 197327948 /nfs/dbraw/zinc/32/79/48/197327948.db2.gz XTKXWUHCFCYOIP-NSHDSACASA-N 1 0 306.284 2.278 10 0 DEAERO COCCOCCCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000159091188 197326633 /nfs/dbraw/zinc/32/66/33/197326633.db2.gz HSOZMURURSKICC-OAHLLOKOSA-N 1 0 303.349 2.031 10 0 DEAERO COc1cc2c(cc1[C@H](C[NH3+])N1CCSCC1)O[C@@H](C)C2 ZINC000159054083 197322242 /nfs/dbraw/zinc/32/22/42/197322242.db2.gz ZNNPURILVWNACL-FZMZJTMJSA-N 1 0 308.447 2.067 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc(C[NH3+])c1F ZINC000159055782 197322254 /nfs/dbraw/zinc/32/22/54/197322254.db2.gz DPVOVKQQVMAVLZ-GHMZBOCLSA-N 1 0 314.426 2.259 10 0 DEAERO C[C@@H](CC(N)=[NH2+])NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159037055 197320677 /nfs/dbraw/zinc/32/06/77/197320677.db2.gz UBADDDZEBSSSDN-ZETCQYMHSA-N 1 0 304.272 2.421 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Nc1cc(Br)ccc1O ZINC000158977056 197316271 /nfs/dbraw/zinc/31/62/71/197316271.db2.gz JWKXRRTWSRWDNQ-QMMMGPOBSA-N 1 0 301.184 2.468 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Nc1ccc(Br)c(C)n1 ZINC000158956030 197313711 /nfs/dbraw/zinc/31/37/11/197313711.db2.gz JUIXXRAWZHNDKJ-SECBINFHSA-N 1 0 300.200 2.466 10 0 DEAERO [NH3+][C@@H](CS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCOC1 ZINC000158809627 197303006 /nfs/dbraw/zinc/30/30/06/197303006.db2.gz ZPTPRYGDTUQWAO-KCJUWKMLSA-N 1 0 324.229 2.131 10 0 DEAERO Cc1cc([C@@H](C[NH3+])N(C)[C@@H]2CCOC2)ccc1Br ZINC000158668630 197292666 /nfs/dbraw/zinc/29/26/66/197292666.db2.gz YLBLCRCKOTTXAM-TZMCWYRMSA-N 1 0 313.239 2.478 10 0 DEAERO NC(=O)N1CCC([NH2+]C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000158783141 197301119 /nfs/dbraw/zinc/30/11/19/197301119.db2.gz OUHJOWLPHPCGOF-KRWDZBQOSA-N 1 0 313.401 2.006 10 0 DEAERO [NH3+][C@H](CSc1ccc(Br)cn1)[C@@H]1CCOC1 ZINC000158784312 197300953 /nfs/dbraw/zinc/30/09/53/197300953.db2.gz LFBAWTPVNRWPSN-PSASIEDQSA-N 1 0 303.225 2.300 10 0 DEAERO C[C@H]1C[C@@H](Nc2nc(Cl)nc(N3CCCC3)n2)CC[N@@H+]1C ZINC000158605954 197287836 /nfs/dbraw/zinc/28/78/36/197287836.db2.gz OMPZOUNAKMGZEN-QWRGUYRKSA-N 1 0 310.833 2.020 10 0 DEAERO COCC[NH2+]Cc1cnc(N2C[C@@H](C)S[C@H](C)C2)c(C)c1 ZINC000158278189 197258751 /nfs/dbraw/zinc/25/87/51/197258751.db2.gz JISRCAWPMDIGDL-ZIAGYGMSSA-N 1 0 309.479 2.456 10 0 DEAERO Cc1ccccc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158115104 197245071 /nfs/dbraw/zinc/24/50/71/197245071.db2.gz JXLWRNSZOYSIML-UHFFFAOYSA-N 1 0 317.433 2.170 10 0 DEAERO CCC[C@H](C(=O)N1CCC[C@H](CCC(=O)OCC)C1)[NH+](C)C ZINC000120304739 195138957 /nfs/dbraw/zinc/13/89/57/195138957.db2.gz OCVBSJPWQUKXHL-HUUCEWRRSA-N 1 0 312.454 2.299 10 0 DEAERO C[NH2+][C@H](Cc1cccc(C(F)(F)F)c1)[C@H](C)S(C)(=O)=O ZINC000157711172 197209931 /nfs/dbraw/zinc/20/99/31/197209931.db2.gz CITWIAHCFFXVBC-JOYOIKCWSA-N 1 0 309.353 2.269 10 0 DEAERO C[NH2+][C@@H](Cc1cccc(C(F)(F)F)c1)[C@@H](C)S(C)(=O)=O ZINC000157711609 197209578 /nfs/dbraw/zinc/20/95/78/197209578.db2.gz CITWIAHCFFXVBC-SKDRFNHKSA-N 1 0 309.353 2.269 10 0 DEAERO C[C@@](F)(Cc1ccc(Br)cn1)C[C@H]1COCC[NH2+]1 ZINC000157601838 197200936 /nfs/dbraw/zinc/20/09/36/197200936.db2.gz JNTLVLWCHUDFRX-QWHCGFSZSA-N 1 0 317.202 2.493 10 0 DEAERO CC[C@H](C(=O)N[C@H](C)c1ccccc1-n1cccn1)[NH+](C)C ZINC000157469274 197189671 /nfs/dbraw/zinc/18/96/71/197189671.db2.gz RUJUVMUXEHDGQO-UKRRQHHQSA-N 1 0 300.406 2.390 10 0 DEAERO CC(C)[NH2+][C@](C)(CCCC[N@H+](C)CCOC(C)C)C(=O)[O-] ZINC000157511777 197192783 /nfs/dbraw/zinc/19/27/83/197192783.db2.gz CATSYIZXZTXNDH-MRXNPFEDSA-N 1 0 302.459 2.355 10 0 DEAERO O=C(NCC[C@@H]1CCC[NH2+]1)c1cc(Br)ccc1F ZINC000157401649 197184889 /nfs/dbraw/zinc/18/48/89/197184889.db2.gz QGXRMSORPJEURT-JTQLQIEISA-N 1 0 315.186 2.460 10 0 DEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)CCOC(C)C)c1 ZINC000157292872 197177076 /nfs/dbraw/zinc/17/70/76/197177076.db2.gz BDNULORWRUEKIM-CYBMUJFWSA-N 1 0 314.451 2.013 10 0 DEAERO C/C(=C\c1c(Br)c(C)nn1C)C[C@H]1COCC[NH2+]1 ZINC000157354283 197181506 /nfs/dbraw/zinc/18/15/06/197181506.db2.gz HOUPPYNUBBMIEG-DJYGCBNOSA-N 1 0 314.227 2.273 10 0 DEAERO CSCC[C@H](C)N(C)c1nc(NN)[nH+]cc1Br ZINC000157242357 197173041 /nfs/dbraw/zinc/17/30/41/197173041.db2.gz NCVKKMMSMWSBQF-ZETCQYMHSA-N 1 0 320.260 2.103 10 0 DEAERO CC[C@H](CSC)N(C)c1nc(NN)[nH+]cc1Br ZINC000157184740 197168144 /nfs/dbraw/zinc/16/81/44/197168144.db2.gz OLRKCMAMVPYWGY-SSDOTTSWSA-N 1 0 320.260 2.103 10 0 DEAERO CC[NH2+]C[C@@](C)(O)COc1ccc(Br)c(C)c1 ZINC000157057035 197158931 /nfs/dbraw/zinc/15/89/31/197158931.db2.gz OJVOTESEHOJAGA-CYBMUJFWSA-N 1 0 302.212 2.497 10 0 DEAERO COc1cc(Br)cc(NC(=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000157060816 197158827 /nfs/dbraw/zinc/15/88/27/197158827.db2.gz TVWIUJYMELYFJS-SFYZADRCSA-N 1 0 301.184 2.380 10 0 DEAERO O[C@@H](Cc1cccc(F)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000157134814 197164545 /nfs/dbraw/zinc/16/45/45/197164545.db2.gz WZORQHZNJKDJNY-PWSUYJOCSA-N 1 0 302.187 2.491 10 0 DEAERO CCC[C@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[NH+](C)C ZINC000156898735 197148422 /nfs/dbraw/zinc/14/84/22/197148422.db2.gz SKBYFUJDMUASPN-SNVBAGLBSA-N 1 0 305.300 2.063 10 0 DEAERO Cc1ccc2ncc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)n2c1 ZINC000156676397 197131769 /nfs/dbraw/zinc/13/17/69/197131769.db2.gz YJBQYHDFMMSUIY-HNNXBMFYSA-N 1 0 310.405 2.146 10 0 DEAERO Cc1cc(N(C)CCc2ccncc2)c(C(N)=S)c(C)[nH+]1 ZINC000156629343 197128523 /nfs/dbraw/zinc/12/85/23/197128523.db2.gz CVYZKCAOCXXGPR-UHFFFAOYSA-N 1 0 300.431 2.407 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000189699502 533148329 /nfs/dbraw/zinc/14/83/29/533148329.db2.gz PTYCOQYAJJUFRD-NSHDSACASA-N 1 0 300.362 2.042 10 0 DEAERO CC1CC(C(N)=S)(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000156041711 197082675 /nfs/dbraw/zinc/08/26/75/197082675.db2.gz WBLASGAFCYOSDA-UYJPIKCFSA-N 1 0 311.495 2.070 10 0 DEAERO C[C@@H]1CN(C(=O)c2cccc(F)c2Br)CC[C@H]1[NH3+] ZINC000156014938 197080817 /nfs/dbraw/zinc/08/08/17/197080817.db2.gz NDHQOAFRMSJEGA-LDYMZIIASA-N 1 0 315.186 2.398 10 0 DEAERO Cc1ccccc1[S@](=O)CC(=O)Nc1ccccc1C[NH3+] ZINC000156011819 197079797 /nfs/dbraw/zinc/07/97/97/197079797.db2.gz RSCXWZNVYWWOEJ-NRFANRHFSA-N 1 0 302.399 2.200 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1cccc(F)c1Br)C1CC1 ZINC000156000487 197078880 /nfs/dbraw/zinc/07/88/80/197078880.db2.gz QSVCFZSMEANWSX-JTQLQIEISA-N 1 0 301.159 2.055 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)C[S@](=O)Cc2ccccc2)cc1 ZINC000155960281 197077598 /nfs/dbraw/zinc/07/75/98/197077598.db2.gz FFMLPDFLPAHXCL-NRFANRHFSA-N 1 0 302.399 2.033 10 0 DEAERO Cc1nc2ncnn2c(N2CCC([N@H+]3CCC[C@@H]3C)CC2)c1C ZINC000154959439 197007963 /nfs/dbraw/zinc/00/79/63/197007963.db2.gz NRLOUDHKLOLNOX-LBPRGKRZSA-N 1 0 314.437 2.194 10 0 DEAERO COCCO[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000188815585 533170213 /nfs/dbraw/zinc/17/02/13/533170213.db2.gz YCBNNTWFXMWINN-MRXNPFEDSA-N 1 0 301.390 2.314 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nnc(C2CC2)n1C1CC1 ZINC000181408119 285274129 /nfs/dbraw/zinc/27/41/29/285274129.db2.gz ACYRYCJKDNKGBL-HNNXBMFYSA-N 1 0 303.454 2.407 10 0 DEAERO CC(C)Cc1ncc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)s1 ZINC000120674123 195213051 /nfs/dbraw/zinc/21/30/51/195213051.db2.gz AQYLYQLLULVYNM-UONOGXRCSA-N 1 0 311.495 2.229 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1sc(C)nc1C(F)(F)F ZINC000183604755 285315489 /nfs/dbraw/zinc/31/54/89/285315489.db2.gz HESSYBFSGWKTLT-LLVKDONJSA-N 1 0 312.357 2.347 10 0 DEAERO C1CC1c1nnsc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000290001912 221371767 /nfs/dbraw/zinc/37/17/67/221371767.db2.gz ZVISMKWVEWSWLD-ZJUUUORDSA-N 1 0 319.390 2.001 10 0 DEAERO CC(C)(O)C[N@@H+]1C[C@@H]2CCC[C@H](CNc3ncccn3)[C@@H]2C1 ZINC000253378070 257106649 /nfs/dbraw/zinc/10/66/49/257106649.db2.gz ZEXTXMUYBLXPPZ-ILXRZTDVSA-N 1 0 304.438 2.008 10 0 DEAERO O=C(N[C@H]1CCCC[C@@]12C[NH2+]CCO2)OCc1ccccc1 ZINC000396427138 257103007 /nfs/dbraw/zinc/10/30/07/257103007.db2.gz OCQRLRHSPWYLJG-DOTOQJQBSA-N 1 0 304.390 2.214 10 0 DEAERO O=C(C[NH2+]C1(C2CC2)CC1)NCCc1cccc2cccnc21 ZINC000544414957 285348686 /nfs/dbraw/zinc/34/86/86/285348686.db2.gz MAQKIASYHGCFCU-UHFFFAOYSA-N 1 0 309.413 2.426 10 0 DEAERO CCC[C@H]1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000120949234 195269586 /nfs/dbraw/zinc/26/95/86/195269586.db2.gz ZCNBUIRTANYKQS-GJZGRUSLSA-N 1 0 302.484 2.170 10 0 DEAERO C[C@H](C[NH+]1CCCC1)N1C(=O)C2(CC2)N[C@H]1c1cccs1 ZINC000121955304 195380995 /nfs/dbraw/zinc/38/09/95/195380995.db2.gz BRECEUSTWUKIRJ-TZMCWYRMSA-N 1 0 305.447 2.195 10 0 DEAERO CC[C@@H]1N[C@@H](c2ccsc2)N(CC2CC[NH+](C)CC2)C1=O ZINC000122021363 195390614 /nfs/dbraw/zinc/39/06/14/195390614.db2.gz JECWMPIWDILXGM-LSDHHAIUSA-N 1 0 307.463 2.299 10 0 DEAERO COCCCN(C)c1cc(Br)ccc1C(N)=[NH2+] ZINC000124231200 195618300 /nfs/dbraw/zinc/61/83/00/195618300.db2.gz HDSIVUQHJIABDG-UHFFFAOYSA-N 1 0 300.200 2.206 10 0 DEAERO NC(=O)c1ccc(Br)cc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000124479236 195645864 /nfs/dbraw/zinc/64/58/64/195645864.db2.gz DHANEOXPHOWZFM-GHMZBOCLSA-N 1 0 312.211 2.230 10 0 DEAERO CCc1cnc([C@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)s1 ZINC000124489969 195646850 /nfs/dbraw/zinc/64/68/50/195646850.db2.gz ZROKTVLVTCORKM-QPUJVOFHSA-N 1 0 321.368 2.425 10 0 DEAERO CSCC[C@H](C)[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000126271235 195825467 /nfs/dbraw/zinc/82/54/67/195825467.db2.gz VJNAMUKEIJLYDC-KKUMJFAQSA-N 1 0 314.495 2.230 10 0 DEAERO O=C(c1cnn2c1CCCC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000127557040 195888334 /nfs/dbraw/zinc/88/83/34/195888334.db2.gz UQDYLMXFNXKNIT-HNNXBMFYSA-N 1 0 316.449 2.167 10 0 DEAERO CC[NH2+]Cc1cc(OCC(=O)OC)ccc1Br ZINC000128238777 195948205 /nfs/dbraw/zinc/94/82/05/195948205.db2.gz LOLHUQQLUNMNCC-UHFFFAOYSA-N 1 0 302.168 2.110 10 0 DEAERO CC(C)NC(=O)[C@H](C)Oc1ccc(Br)c(C[NH3+])c1 ZINC000128048734 195931767 /nfs/dbraw/zinc/93/17/67/195931767.db2.gz VZRDCVFLSLQCEU-VIFPVBQESA-N 1 0 315.211 2.200 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000247220513 285394644 /nfs/dbraw/zinc/39/46/44/285394644.db2.gz CQPZWGCZUJCVPA-UKPHBRMFSA-N 1 0 302.418 2.179 10 0 DEAERO CSCc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000048285481 132484961 /nfs/dbraw/zinc/48/49/61/132484961.db2.gz ICFNQVSNXJIBCZ-UHFFFAOYSA-N 1 0 322.474 2.392 10 0 DEAERO CCn1cc(C2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)cn1 ZINC000195499465 132548395 /nfs/dbraw/zinc/54/83/95/132548395.db2.gz RFKMDLSLICQONK-CYBMUJFWSA-N 1 0 306.454 2.386 10 0 DEAERO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ncnc3c(F)cccc32)CC1 ZINC000562832058 292013911 /nfs/dbraw/zinc/01/39/11/292013911.db2.gz CGRWWUOCOFPPEG-ZBFHGGJFSA-N 1 0 316.380 2.102 10 0 DEAERO O=C1c2ccccc2C(=O)N1CC[NH2+]CCc1cccc(F)c1 ZINC000357414064 133076334 /nfs/dbraw/zinc/07/63/34/133076334.db2.gz QYMWAHFLRDHLTI-UHFFFAOYSA-N 1 0 312.344 2.254 10 0 DEAERO CC(=O)N1CCC([NH2+][C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000357845620 133104511 /nfs/dbraw/zinc/10/45/11/133104511.db2.gz BXKMMRJBRFLZJV-FUHWJXTLSA-N 1 0 302.418 2.365 10 0 DEAERO C[C@H](CNC(=O)NCc1ccc2cc[nH]c2n1)C[NH+]1CCCC1 ZINC000357961988 133112151 /nfs/dbraw/zinc/11/21/51/133112151.db2.gz SKQZBGLCHYIFHC-CYBMUJFWSA-N 1 0 315.421 2.094 10 0 DEAERO CC(C)c1ccc(/C=C/CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358068363 133118965 /nfs/dbraw/zinc/11/89/65/133118965.db2.gz QZPPEVAKCRLTMK-PXPVJAHISA-N 1 0 316.445 2.396 10 0 DEAERO COCCOc1ccc(C[NH2+]CCN2CC=C(C)CC2)cc1 ZINC000358172773 133126119 /nfs/dbraw/zinc/12/61/19/133126119.db2.gz VBWQHULBVXFPOJ-UHFFFAOYSA-N 1 0 304.434 2.453 10 0 DEAERO C[C@H](CCNC(=O)C(=O)N1CCC[C@@H](C)CC1)[NH+]1CCCCC1 ZINC000359703792 133140051 /nfs/dbraw/zinc/14/00/51/133140051.db2.gz CFNTVWGXERSNBD-HZPDHXFCSA-N 1 0 323.481 2.016 10 0 DEAERO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC000361915046 133199357 /nfs/dbraw/zinc/19/93/57/133199357.db2.gz GZVZVUZOZDAWOM-HIFRSBDPSA-N 1 0 304.438 2.429 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1C[C@@H](O)COCc1ccccc1Cl ZINC000362232002 133218451 /nfs/dbraw/zinc/21/84/51/133218451.db2.gz ANUOXYPMOYFCGU-UKRRQHHQSA-N 1 0 313.825 2.328 10 0 DEAERO c1nc(CNC2CC([NH+]3CCCCC3)C2)sc1C1OCCO1 ZINC000377630300 133337882 /nfs/dbraw/zinc/33/78/82/133337882.db2.gz QNTVHAJJJMSNLM-UHFFFAOYSA-N 1 0 323.462 2.295 10 0 DEAERO O=C1[C@H]([NH2+]C2CC(c3ccccn3)C2)CCN1CC(F)(F)F ZINC000377624347 133338145 /nfs/dbraw/zinc/33/81/45/133338145.db2.gz LBPIOBKFIWAMQB-GCZXYKMCSA-N 1 0 313.323 2.080 10 0 DEAERO O[C@@]1(C2CC2)CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000373271141 133384742 /nfs/dbraw/zinc/38/47/42/133384742.db2.gz PEFUFXOVSPONPL-SFHVURJKSA-N 1 0 315.392 2.417 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000373382160 133388868 /nfs/dbraw/zinc/38/88/68/133388868.db2.gz HFEJYQUJSJGSPZ-HNNXBMFYSA-N 1 0 311.385 2.441 10 0 DEAERO C[C@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)C[C@@]2(CCOC2)O1 ZINC000373488931 133392718 /nfs/dbraw/zinc/39/27/18/133392718.db2.gz IVFIFOOYJRUQKE-BLLLJJGKSA-N 1 0 303.362 2.050 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCCN1c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000063196948 134813158 /nfs/dbraw/zinc/81/31/58/134813158.db2.gz PQNVYDSEVGFOGT-GWCFXTLKSA-N 1 0 318.389 2.389 10 0 DEAERO c1nc(C2CC2)sc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000563811568 292074567 /nfs/dbraw/zinc/07/45/67/292074567.db2.gz BDNOOJJALYFTLK-LBPRGKRZSA-N 1 0 301.419 2.497 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000329868642 404477753 /nfs/dbraw/zinc/47/77/53/404477753.db2.gz XRKAIYGWIJVIAQ-WBVHZDCISA-N 1 0 318.417 2.068 10 0 DEAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cnn3c2CCCC3)C1 ZINC000126943838 144731813 /nfs/dbraw/zinc/73/18/13/144731813.db2.gz LNRSTVQYQXVHPE-OAHLLOKOSA-N 1 0 318.465 2.461 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(CC)C[C@@H]2CCCO2)CC1 ZINC000171673515 144811579 /nfs/dbraw/zinc/81/15/79/144811579.db2.gz SJVXKVYRWDBFRT-INIZCTEOSA-N 1 0 311.470 2.319 10 0 DEAERO O[C@H]1c2ccccc2C[C@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000178353913 144857262 /nfs/dbraw/zinc/85/72/62/144857262.db2.gz KFMFKNWRKAYPKK-CABCVRRESA-N 1 0 314.351 2.261 10 0 DEAERO 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BBYSCBDUNHEDCK-HNNXBMFYSA-N 1 0 320.433 2.231 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(CN2c3ccccc3CCCC2=O)n1 ZINC000261664568 145215031 /nfs/dbraw/zinc/21/50/31/145215031.db2.gz FWKKFRPTSKVDLF-GFCCVEGCSA-N 1 0 314.389 2.090 10 0 DEAERO Fc1ccc(Oc2cc(CNC3=[NH+]CCCN3)ccn2)cc1 ZINC000261747741 145222501 /nfs/dbraw/zinc/22/25/01/145222501.db2.gz JFVSEAKLCMBILO-UHFFFAOYSA-N 1 0 300.337 2.452 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc(C)c1F ZINC000261756157 145223125 /nfs/dbraw/zinc/22/31/25/145223125.db2.gz LMGAMKIJJRSENQ-ZDUSSCGKSA-N 1 0 314.426 2.190 10 0 DEAERO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261790741 145226572 /nfs/dbraw/zinc/22/65/72/145226572.db2.gz NMMKSLSHCNJYTJ-SWLSCSKDSA-N 1 0 323.868 2.404 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c(F)cc1F ZINC000261811053 145229305 /nfs/dbraw/zinc/22/93/05/145229305.db2.gz WWRUAYYTUCWJGK-CYBMUJFWSA-N 1 0 318.389 2.021 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)CN2c3ccccc3CCCC2=O)cc1 ZINC000261818930 145229931 /nfs/dbraw/zinc/22/99/31/145229931.db2.gz HBUZOGNRDZPOMJ-UHFFFAOYSA-N 1 0 323.396 2.453 10 0 DEAERO CC1(C)CN(Cc2noc(Cc3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000261824810 145231218 /nfs/dbraw/zinc/23/12/18/145231218.db2.gz PPEFZACYAQZPNW-AWEZNQCLSA-N 1 0 300.406 2.220 10 0 DEAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261838311 145232347 /nfs/dbraw/zinc/23/23/47/145232347.db2.gz KNRFFCXYBXCHDW-ORUWWINDSA-N 1 0 300.761 2.163 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000261852866 145234027 /nfs/dbraw/zinc/23/40/27/145234027.db2.gz QJCSCGWEXMKLHX-ZYHUDNBSSA-N 1 0 316.323 2.323 10 0 DEAERO CO[C@@H](C)c1nc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cs1 ZINC000261868314 145235480 /nfs/dbraw/zinc/23/54/80/145235480.db2.gz XBDLHQMQAKXSRD-SWLSCSKDSA-N 1 0 318.446 2.392 10 0 DEAERO COCCc1nc2cc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])ccc2o1 ZINC000261875872 145236022 /nfs/dbraw/zinc/23/60/22/145236022.db2.gz YMHRMWVGLFGDDZ-DGCLKSJQSA-N 1 0 317.389 2.330 10 0 DEAERO Cc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1OCC(F)F ZINC000261875639 145236144 /nfs/dbraw/zinc/23/61/44/145236144.db2.gz UCXRQCPPUWPGDS-NEPJUHHUSA-N 1 0 314.332 2.084 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)Oc1cccc(F)c1 ZINC000261904772 145240096 /nfs/dbraw/zinc/24/00/96/145240096.db2.gz IEHRVUZYETUZHL-BNEJOLLZSA-N 1 0 322.424 2.340 10 0 DEAERO C[C@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000261906281 145240449 /nfs/dbraw/zinc/24/04/49/145240449.db2.gz WYYCHPUUOJNIAG-WDEREUQCSA-N 1 0 314.788 2.444 10 0 DEAERO c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261913322 145240976 /nfs/dbraw/zinc/24/09/76/145240976.db2.gz JISHNFZNFIUQAL-BHIYHBOVSA-N 1 0 313.445 2.457 10 0 DEAERO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261922150 145241856 /nfs/dbraw/zinc/24/18/56/145241856.db2.gz KONHEEVMZLBMHR-RAEVTNRLSA-N 1 0 307.438 2.142 10 0 DEAERO CC(=O)Nc1cccc(N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261952218 145246519 /nfs/dbraw/zinc/24/65/19/145246519.db2.gz OLOHDWZWYPDLIA-GVDBMIGSSA-N 1 0 303.406 2.214 10 0 DEAERO COc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)ccc1C ZINC000261970358 145247540 /nfs/dbraw/zinc/24/75/40/145247540.db2.gz QMWQBYXQMONTOM-RCCFBDPRSA-N 1 0 318.461 2.293 10 0 DEAERO C[C@H](NC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(F)cc1 ZINC000261964876 145248037 /nfs/dbraw/zinc/24/80/37/145248037.db2.gz YHVGVMMTOJZVFQ-ZFZWDLNGSA-N 1 0 319.424 2.062 10 0 DEAERO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)CCc2cccs2)cc1 ZINC000261970424 145248401 /nfs/dbraw/zinc/24/84/01/145248401.db2.gz BGXUADPYDPSLJY-LBPRGKRZSA-N 1 0 324.471 2.430 10 0 DEAERO c1sc(CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)nc1C1CC1 ZINC000261995513 145251531 /nfs/dbraw/zinc/25/15/31/145251531.db2.gz TZCUMPKSJBHTDZ-MJBXVCDLSA-N 1 0 307.463 2.267 10 0 DEAERO O=C(NCC1C[NH2+]C1)c1ccccc1SCc1cscn1 ZINC000262011656 145252879 /nfs/dbraw/zinc/25/28/79/145252879.db2.gz JWFLALJPBARRKI-UHFFFAOYSA-N 1 0 319.455 2.385 10 0 DEAERO CN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000262057766 145257357 /nfs/dbraw/zinc/25/73/57/145257357.db2.gz QUKJRIYUURSDOK-RDJZCZTQSA-N 1 0 321.852 2.377 10 0 DEAERO [NH3+]CC1(C(=O)Nc2cc(C3CCCCC3)[nH]n2)CCOCC1 ZINC000262084435 145259694 /nfs/dbraw/zinc/25/96/94/145259694.db2.gz CPEJTTJKDFHALQ-UHFFFAOYSA-N 1 0 306.410 2.151 10 0 DEAERO C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(C(F)(F)F)cc1 ZINC000262113581 145263259 /nfs/dbraw/zinc/26/32/59/145263259.db2.gz JYIAJEDUIIBZRY-GWCFXTLKSA-N 1 0 316.323 2.261 10 0 DEAERO c1cnn(-c2ccc(CN3CC[NH2+]C[C@H]3c3cccnc3)cc2)c1 ZINC000262232524 145270767 /nfs/dbraw/zinc/27/07/67/145270767.db2.gz OCXDOJYMWOVYLW-IBGZPJMESA-N 1 0 319.412 2.414 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CC[NH2+]1 ZINC000262314338 145276093 /nfs/dbraw/zinc/27/60/93/145276093.db2.gz AZOLPPRMBBSKMQ-RWMBFGLXSA-N 1 0 323.387 2.048 10 0 DEAERO CC(C)Cc1ccc([C@@H](CNC2=[NH+]CCCN2)N(C)C)cc1 ZINC000262338189 145277844 /nfs/dbraw/zinc/27/78/44/145277844.db2.gz XQNLDDUDXGXVRL-QGZVFWFLSA-N 1 0 302.466 2.427 10 0 DEAERO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262378691 145280256 /nfs/dbraw/zinc/28/02/56/145280256.db2.gz NMMWJEFCOAEXCS-FSDCSDTHSA-N 1 0 302.418 2.363 10 0 DEAERO CCO[C@H](C)c1nc(CN(C)C(=O)[C@H](C)C2C[NH2+]C2)cs1 ZINC000262394696 145281639 /nfs/dbraw/zinc/28/16/39/145281639.db2.gz OSDBSXOIKJREIY-GHMZBOCLSA-N 1 0 311.451 2.055 10 0 DEAERO CCc1oc(C(=O)Nc2ccccc2C(=O)NCC[NH3+])cc1C ZINC000262405037 145282345 /nfs/dbraw/zinc/28/23/45/145282345.db2.gz NAUZGZCUVKLAQH-UHFFFAOYSA-N 1 0 315.373 2.091 10 0 DEAERO [NH3+]C1(C(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)CCCCC1 ZINC000262475753 145286679 /nfs/dbraw/zinc/28/66/79/145286679.db2.gz PNNNEOVDYZRKAR-ZDUSSCGKSA-N 1 0 318.421 2.315 10 0 DEAERO CCOc1ccc(NC(=O)[C@@]2(CCOC)CC[NH2+]C2)c(C)c1 ZINC000262497642 145288272 /nfs/dbraw/zinc/28/82/72/145288272.db2.gz IIDIBLURMWEZLW-QGZVFWFLSA-N 1 0 306.406 2.348 10 0 DEAERO CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)[C@H]([NH3+])CCSC ZINC000262533777 145290470 /nfs/dbraw/zinc/29/04/70/145290470.db2.gz IZEMRRYVZWDNCW-HONMWMINSA-N 1 0 314.426 2.098 10 0 DEAERO COc1cc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cc(OC)c1OC ZINC000262538394 145291534 /nfs/dbraw/zinc/29/15/34/145291534.db2.gz QSVBNEAEULNXCO-OAHLLOKOSA-N 1 0 308.422 2.272 10 0 DEAERO C[C@H](C(=O)Nc1ccc(-n2cccn2)c(Cl)c1)C1C[NH2+]C1 ZINC000262563267 145293529 /nfs/dbraw/zinc/29/35/29/145293529.db2.gz RDILZSDXSNVDKY-JTQLQIEISA-N 1 0 304.781 2.320 10 0 DEAERO Cc1[nH]ccc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000262571691 145294235 /nfs/dbraw/zinc/29/42/35/145294235.db2.gz ZEBFUBLJWIRFAS-CJNGLKHVSA-N 1 0 319.355 2.477 10 0 DEAERO Cc1[nH]ccc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000262571694 145294323 /nfs/dbraw/zinc/29/43/23/145294323.db2.gz ZEBFUBLJWIRFAS-XJKSGUPXSA-N 1 0 319.355 2.477 10 0 DEAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000262590012 145295651 /nfs/dbraw/zinc/29/56/51/145295651.db2.gz CTLQRIPKSSWYMI-HIFRSBDPSA-N 1 0 310.825 2.475 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000262726551 145301941 /nfs/dbraw/zinc/30/19/41/145301941.db2.gz HIZLQBHYWGWOCW-CXAGYDPISA-N 1 0 324.428 2.478 10 0 DEAERO Cc1ccc(C(C)(C)c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263169251 145331475 /nfs/dbraw/zinc/33/14/75/145331475.db2.gz FNYMMRQFANEVKQ-AWEZNQCLSA-N 1 0 300.406 2.280 10 0 DEAERO Cc1cc(C)c(OCc2nc([C@H]3C[NH2+]CCN3C)no2)c(C)c1 ZINC000263176511 145332758 /nfs/dbraw/zinc/33/27/58/145332758.db2.gz GGGBMSYKGHHAMN-CQSZACIVSA-N 1 0 316.405 2.150 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2csc(-c3ccoc3)n2)n1 ZINC000263190905 145334131 /nfs/dbraw/zinc/33/41/31/145334131.db2.gz HXOQEXWVUQRZSA-LLVKDONJSA-N 1 0 317.374 2.029 10 0 DEAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000263203238 145336023 /nfs/dbraw/zinc/33/60/23/145336023.db2.gz JKAVNQODMKJDJF-BXKDBHETSA-N 1 0 308.731 2.029 10 0 DEAERO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCOc1ccc(F)cc1F ZINC000263216946 145337453 /nfs/dbraw/zinc/33/74/53/145337453.db2.gz LADNMTHTZJYJPS-MLGOLLRUSA-N 1 0 312.360 2.367 10 0 DEAERO CN(CC(=O)c1cccn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309766940 145350458 /nfs/dbraw/zinc/35/04/58/145350458.db2.gz GPDFWHDUYSBKTB-KRWDZBQOSA-N 1 0 311.429 2.414 10 0 DEAERO CC(=O)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309812877 145350603 /nfs/dbraw/zinc/35/06/03/145350603.db2.gz XBMHPRCTAJRZST-FGTMMUONSA-N 1 0 314.429 2.382 10 0 DEAERO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cn[nH]c1 ZINC000309935745 145351225 /nfs/dbraw/zinc/35/12/25/145351225.db2.gz YEHIZVVSKRDTMU-DJIMGWMZSA-N 1 0 310.401 2.050 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NCc1c(Br)cnn1C ZINC000336793069 145397651 /nfs/dbraw/zinc/39/76/51/145397651.db2.gz VHSIRHBVCNVHAK-LLVKDONJSA-N 1 0 317.275 2.249 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000291703144 404486036 /nfs/dbraw/zinc/48/60/36/404486036.db2.gz KIGZHONNIOJXQA-SJLPKXTDSA-N 1 0 312.417 2.374 10 0 DEAERO c1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc(C2CC2)n1 ZINC000565224796 292148665 /nfs/dbraw/zinc/14/86/65/292148665.db2.gz MBNQPPJSYAVWMA-OAHLLOKOSA-N 1 0 302.422 2.045 10 0 DEAERO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000357125302 147046912 /nfs/dbraw/zinc/04/69/12/147046912.db2.gz ZUXSDWZSTKXTTA-KBPBESRZSA-N 1 0 320.433 2.499 10 0 DEAERO COC(=O)[C@@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000358834001 147215972 /nfs/dbraw/zinc/21/59/72/147215972.db2.gz OIBPDBZXMFWHSD-KRWDZBQOSA-N 1 0 320.408 2.331 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000358906258 147227946 /nfs/dbraw/zinc/22/79/46/147227946.db2.gz OEJRZERYMKHDRR-HNNXBMFYSA-N 1 0 311.470 2.032 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360630176 147363043 /nfs/dbraw/zinc/36/30/43/147363043.db2.gz RARZQEKQBJKTBE-MRXNPFEDSA-N 1 0 321.392 2.147 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ncc(C2CC2)o1 ZINC000371183326 148069897 /nfs/dbraw/zinc/06/98/97/148069897.db2.gz ILMCHQUWDCYFLP-RBSFLKMASA-N 1 0 305.422 2.236 10 0 DEAERO CC(=O)c1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000371236690 148076051 /nfs/dbraw/zinc/07/60/51/148076051.db2.gz QNAHWMZIUCIOEZ-DLBZAZTESA-N 1 0 300.402 2.493 10 0 DEAERO CC[NH+](CC)CCNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372386880 148202111 /nfs/dbraw/zinc/20/21/11/148202111.db2.gz NDVHSBNHTBTRAR-ZDUSSCGKSA-N 1 0 306.454 2.096 10 0 DEAERO CN1Cc2ccccc2[C@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC000374343276 148233390 /nfs/dbraw/zinc/23/33/90/148233390.db2.gz XLHZQHGSODFMKI-QGZVFWFLSA-N 1 0 320.396 2.339 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC[N@@H+]1C ZINC000375224140 148345290 /nfs/dbraw/zinc/34/52/90/148345290.db2.gz JXGGQGGWFYWSMZ-QRTARXTBSA-N 1 0 318.417 2.022 10 0 DEAERO Cc1ccc(CCC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c(C)c1 ZINC000375500439 148379960 /nfs/dbraw/zinc/37/99/60/148379960.db2.gz YLIZCTYNQHRLTR-KRWDZBQOSA-N 1 0 318.461 2.151 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC=O)cc2)[C@H](C)C1 ZINC000073949261 401725937 /nfs/dbraw/zinc/72/59/37/401725937.db2.gz XOCDXMCFCJNVHM-CJNGLKHVSA-N 1 0 303.406 2.057 10 0 DEAERO COC(=O)c1ccc(CN2CCO[C@H](c3cccc(O)c3)C2)o1 ZINC000127278890 401727101 /nfs/dbraw/zinc/72/71/01/401727101.db2.gz PLRNIKIPHYLIRW-INIZCTEOSA-N 1 0 317.341 2.345 10 0 DEAERO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(C)n2)cc1 ZINC000127323476 401729318 /nfs/dbraw/zinc/72/93/18/401729318.db2.gz IISGIDIPXXBRTR-CYBMUJFWSA-N 1 0 319.430 2.149 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000112133412 401731355 /nfs/dbraw/zinc/73/13/55/401731355.db2.gz FXIVCTKUADILMA-UONOGXRCSA-N 1 0 320.437 2.043 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000074535520 401741953 /nfs/dbraw/zinc/74/19/53/401741953.db2.gz ZLOHUPXCKGKSJT-HNNXBMFYSA-N 1 0 321.469 2.021 10 0 DEAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000127604911 401742060 /nfs/dbraw/zinc/74/20/60/401742060.db2.gz ZITABLRGSFOSKS-HOCLYGCPSA-N 1 0 301.390 2.203 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3nc[nH]c32)CC[N@@H+]1C ZINC000127634653 401743398 /nfs/dbraw/zinc/74/33/98/401743398.db2.gz NYMRPTFDUUZBKS-PWSUYJOCSA-N 1 0 304.369 2.257 10 0 DEAERO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cnn2c1CCCC2 ZINC000127639556 401743703 /nfs/dbraw/zinc/74/37/03/401743703.db2.gz ZFIKHHAVRVXYDF-UHFFFAOYSA-N 1 0 316.449 2.356 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)NCCc2cc(F)ccc2F)C[N@@H+]1C1CC1 ZINC000126444433 401694242 /nfs/dbraw/zinc/69/42/42/401694242.db2.gz LIXQQTXPICYXTH-RISCZKNCSA-N 1 0 323.387 2.432 10 0 DEAERO Cc1nnc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)n1C1CC1 ZINC000127715939 401746975 /nfs/dbraw/zinc/74/69/75/401746975.db2.gz OZEKSURUQMEBRK-CABCVRRESA-N 1 0 300.410 2.391 10 0 DEAERO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000111221026 401701374 /nfs/dbraw/zinc/70/13/74/401701374.db2.gz NMQXGMSHGLOMAJ-NWDGAFQWSA-N 1 0 323.824 2.173 10 0 DEAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccncc2)ncn1 ZINC000111227151 401701408 /nfs/dbraw/zinc/70/14/08/401701408.db2.gz NBPAKKRERLVBBF-ZFWWWQNUSA-N 1 0 312.421 2.233 10 0 DEAERO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3C[C@@H]3C)cc2)CC1 ZINC000072094589 401703532 /nfs/dbraw/zinc/70/35/32/401703532.db2.gz WYPZUWOKMSEQFQ-WMLDXEAASA-N 1 0 301.434 2.355 10 0 DEAERO CN(C)c1ccc([C@H](C[NH3+])S(=O)(=O)c2ccccc2)cc1 ZINC000008037931 401747442 /nfs/dbraw/zinc/74/74/42/401747442.db2.gz HMXYKSHTQGCZKP-INIZCTEOSA-N 1 0 304.415 2.226 10 0 DEAERO CCNC(=O)COc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1OC ZINC000126976086 401715493 /nfs/dbraw/zinc/71/54/93/401715493.db2.gz VKRDNLUJAHOACQ-CYBMUJFWSA-N 1 0 320.433 2.488 10 0 DEAERO O=c1[nH]c(CC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)nc2ccccc21 ZINC000114483704 401801993 /nfs/dbraw/zinc/80/19/93/401801993.db2.gz YKANYVQEIBHSBZ-MRXNPFEDSA-N 1 0 323.400 2.416 10 0 DEAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CCCO1 ZINC000077005788 401802946 /nfs/dbraw/zinc/80/29/46/401802946.db2.gz YPMKLMZYKJENSZ-QXSJWSMHSA-N 1 0 311.470 2.173 10 0 DEAERO Cc1cccc(N2CCC([NH2+][C@H]3CCN(C)[C@H](C)C3)CC2)n1 ZINC000128082233 401762184 /nfs/dbraw/zinc/76/21/84/401762184.db2.gz NZFFQFCIHUSDLO-WBVHZDCISA-N 1 0 302.466 2.431 10 0 DEAERO Cc1ccc(OCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)c1 ZINC000113232001 401771469 /nfs/dbraw/zinc/77/14/69/401771469.db2.gz JUYCSCGXXLMNFU-JKSUJKDBSA-N 1 0 302.418 2.377 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000113233414 401772238 /nfs/dbraw/zinc/77/22/38/401772238.db2.gz SAGRMXFEEAITBB-UKRRQHHQSA-N 1 0 310.401 2.385 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc(F)cc1 ZINC000113269173 401773833 /nfs/dbraw/zinc/77/38/33/401773833.db2.gz SKOGKAGMTXKDHD-CZUORRHYSA-N 1 0 305.397 2.323 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc(F)cc1 ZINC000113269176 401773996 /nfs/dbraw/zinc/77/39/96/401773996.db2.gz SKOGKAGMTXKDHD-XJKSGUPXSA-N 1 0 305.397 2.323 10 0 DEAERO C[C@H]1C[C@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000075977736 401775883 /nfs/dbraw/zinc/77/58/83/401775883.db2.gz JCZGTTGCONOIKO-WMLDXEAASA-N 1 0 301.434 2.401 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000113305293 401775881 /nfs/dbraw/zinc/77/58/81/401775881.db2.gz LNWJQFNZJUEBIU-DGCLKSJQSA-N 1 0 314.838 2.197 10 0 DEAERO CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128558348 401782748 /nfs/dbraw/zinc/78/27/48/401782748.db2.gz PTBYRDYTSBZBSE-CYBMUJFWSA-N 1 0 301.438 2.268 10 0 DEAERO COc1cccc(CCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113588891 401783038 /nfs/dbraw/zinc/78/30/38/401783038.db2.gz WJBDQYQQDWOFCJ-GDBMZVCRSA-N 1 0 317.433 2.116 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCOc1cccc(F)c1 ZINC000113596842 401783195 /nfs/dbraw/zinc/78/31/95/401783195.db2.gz DMHYTGXVMGSQRB-UKRRQHHQSA-N 1 0 321.396 2.083 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCOc1ccccc1 ZINC000113584583 401783412 /nfs/dbraw/zinc/78/34/12/401783412.db2.gz UIRXHTZDDUQABN-HZPDHXFCSA-N 1 0 317.433 2.334 10 0 DEAERO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(CC)s2)CC1 ZINC000113669407 401784586 /nfs/dbraw/zinc/78/45/86/401784586.db2.gz ASCJOSWWHJHYCT-UHFFFAOYSA-N 1 0 316.492 2.321 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)NCC[C@@H](C)O)Cc1ccccc1 ZINC000114822411 401811131 /nfs/dbraw/zinc/81/11/31/401811131.db2.gz TUPQJNWYPJSWOY-NVXWUHKLSA-N 1 0 321.465 2.010 10 0 DEAERO CC[NH+](CC)Cc1cccc(CNC(=O)NCC[C@@H](C)O)c1 ZINC000114822120 401811258 /nfs/dbraw/zinc/81/12/58/401811258.db2.gz LYSNFBDGDRVXBV-CQSZACIVSA-N 1 0 307.438 2.099 10 0 DEAERO [NH3+][C@H]1CCO[C@@H]1c1ncc(Br)cc1Br ZINC000130220650 401823330 /nfs/dbraw/zinc/82/33/30/401823330.db2.gz VFILQCIAAYCNDG-CBAPKCEASA-N 1 0 322.000 2.395 10 0 DEAERO CC(C)(CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccncc1 ZINC000130266236 401824876 /nfs/dbraw/zinc/82/48/76/401824876.db2.gz GUIVWLFZQOGYNS-MRXNPFEDSA-N 1 0 314.433 2.015 10 0 DEAERO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@](C)(O)CCC(C)C)C1 ZINC000077691668 401826268 /nfs/dbraw/zinc/82/62/68/401826268.db2.gz KQVDVZZQSZMHTR-DOTOQJQBSA-N 1 0 313.486 2.205 10 0 DEAERO Cc1ccc(NC(=O)N[C@H](C)[C@H](C)CO)c(OCC[NH+](C)C)c1 ZINC000077722779 401827168 /nfs/dbraw/zinc/82/71/68/401827168.db2.gz NIHPOIDGJCHVIB-ZIAGYGMSSA-N 1 0 323.437 2.074 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1COc2ccccc2C1 ZINC000077729992 401827868 /nfs/dbraw/zinc/82/78/68/401827868.db2.gz UISSMDHSUFKBJB-HOTGVXAUSA-N 1 0 304.434 2.330 10 0 DEAERO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)[C@@H](C)CO ZINC000077757040 401829425 /nfs/dbraw/zinc/82/94/25/401829425.db2.gz XIAIZPJHOKKABE-GJZGRUSLSA-N 1 0 321.465 2.345 10 0 DEAERO C[C@@H](c1nc(C(C)(C)C)no1)N1CCC([N@H+](C)CCCO)CC1 ZINC000115546976 401830886 /nfs/dbraw/zinc/83/08/86/401830886.db2.gz BUBRDKSOVFUNCL-ZDUSSCGKSA-N 1 0 324.469 2.207 10 0 DEAERO COc1cccc(N2CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC000117270136 401871289 /nfs/dbraw/zinc/87/12/89/401871289.db2.gz WWCBDOOTIZECDA-HNNXBMFYSA-N 1 0 319.449 2.120 10 0 DEAERO CCOCCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115695301 401835415 /nfs/dbraw/zinc/83/54/15/401835415.db2.gz OOBCHGXBSNDFLP-UHFFFAOYSA-N 1 0 311.401 2.113 10 0 DEAERO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116407592 401852107 /nfs/dbraw/zinc/85/21/07/401852107.db2.gz UVFGWVKRQXFOEN-CABCVRRESA-N 1 0 318.465 2.389 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000116532527 401854212 /nfs/dbraw/zinc/85/42/12/401854212.db2.gz YCFWPHNLXLUVAU-AWEZNQCLSA-N 1 0 309.410 2.094 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc([S@@](C)=O)cc1 ZINC000078615037 401858396 /nfs/dbraw/zinc/85/83/96/401858396.db2.gz BFSBZIWQAMLUFI-QKKBWIMNSA-N 1 0 310.463 2.130 10 0 DEAERO CCC[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116786492 401859475 /nfs/dbraw/zinc/85/94/75/401859475.db2.gz YTHBFBSBSXNGAC-IAGOWNOFSA-N 1 0 304.434 2.359 10 0 DEAERO C[C@H](CC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1cccc(F)c1 ZINC000116797051 401860008 /nfs/dbraw/zinc/86/00/08/401860008.db2.gz UVDRMOPECBOVLU-CZUORRHYSA-N 1 0 308.397 2.108 10 0 DEAERO CCCc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)[nH]n1 ZINC000030027784 401861190 /nfs/dbraw/zinc/86/11/90/401861190.db2.gz WQTLZSXJUXVVRX-INIZCTEOSA-N 1 0 300.406 2.395 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(OC)c(C)c1 ZINC000030375370 401862829 /nfs/dbraw/zinc/86/28/29/401862829.db2.gz OSARNDDXGZEUFY-CYBMUJFWSA-N 1 0 314.451 2.012 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000030568150 401864163 /nfs/dbraw/zinc/86/41/63/401864163.db2.gz VUUYUKJSZWOAOW-XJKSGUPXSA-N 1 0 317.433 2.353 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000079547943 401876381 /nfs/dbraw/zinc/87/63/81/401876381.db2.gz IHPYCPGXUWDBOV-UONOGXRCSA-N 1 0 305.422 2.471 10 0 DEAERO Cc1c(C(=O)N(C)CC[NH+](C)C)cnn1-c1ccccc1Cl ZINC000080390434 401889916 /nfs/dbraw/zinc/88/99/16/401889916.db2.gz NRZOHDHVMIAJDW-UHFFFAOYSA-N 1 0 320.824 2.468 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000036266777 401903771 /nfs/dbraw/zinc/90/37/71/401903771.db2.gz AOFYAWCFHNPSHB-UHFFFAOYSA-N 1 0 314.426 2.464 10 0 DEAERO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000036720537 401907252 /nfs/dbraw/zinc/90/72/52/401907252.db2.gz UENRKFXTROXAJT-XCBNKYQSSA-N 1 0 308.687 2.020 10 0 DEAERO CCn1cc(C2CCN(C(=O)[C@]3(CC)CCC[NH2+]3)CC2)cn1 ZINC000134591547 401908134 /nfs/dbraw/zinc/90/81/34/401908134.db2.gz GYYSLSFNDDWRCC-KRWDZBQOSA-N 1 0 304.438 2.141 10 0 DEAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(Br)s2)C1 ZINC000085011313 401912775 /nfs/dbraw/zinc/91/27/75/401912775.db2.gz PBGFKOLBRCXCGG-YUMQZZPRSA-N 1 0 303.225 2.254 10 0 DEAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCS(C)(=O)=O ZINC000037740493 401917053 /nfs/dbraw/zinc/91/70/53/401917053.db2.gz YSPZUYYOJFVPCK-LLVKDONJSA-N 1 0 321.389 2.243 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccccc2Br)C[C@@H]1[NH+](C)C ZINC000089710070 401958718 /nfs/dbraw/zinc/95/87/18/401958718.db2.gz QHIIPHDGPHTNIF-MFKMUULPSA-N 1 0 311.223 2.471 10 0 DEAERO C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3CC3(C)C)ccc2oc1=O ZINC000119583719 401960229 /nfs/dbraw/zinc/96/02/29/401960229.db2.gz MTUCMJVOFMWKPU-LBPRGKRZSA-N 1 0 317.389 2.141 10 0 DEAERO CCN(CCc1nccs1)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000119955136 401972670 /nfs/dbraw/zinc/97/26/70/401972670.db2.gz DFVWVZZRVYSAOJ-STQMWFEESA-N 1 0 322.478 2.342 10 0 DEAERO CCOc1ccccc1OCC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000046859337 401974222 /nfs/dbraw/zinc/97/42/22/401974222.db2.gz JSDGBGMABOMQHG-OAHLLOKOSA-N 1 0 320.433 2.455 10 0 DEAERO CCc1nccn1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000136813894 401974215 /nfs/dbraw/zinc/97/42/15/401974215.db2.gz GJPYWWXKNDWPIB-MRXNPFEDSA-N 1 0 318.465 2.341 10 0 DEAERO CCC[C@@H](C(=O)NC[C@@H]1CCN(C)c2ccccc21)[NH+](C)C ZINC000137717154 401985178 /nfs/dbraw/zinc/98/51/78/401985178.db2.gz FECJXLLRYQLVAX-YOEHRIQHSA-N 1 0 303.450 2.457 10 0 DEAERO CCCn1cc(C[NH+]2CCC(Nc3cccnn3)CC2)cn1 ZINC000120302489 401985746 /nfs/dbraw/zinc/98/57/46/401985746.db2.gz VLAGXPUDMVUYPS-UHFFFAOYSA-N 1 0 300.410 2.160 10 0 DEAERO C[NH+](C)CCNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000090988637 401989726 /nfs/dbraw/zinc/98/97/26/401989726.db2.gz UELHPQPNUDZJFI-UHFFFAOYSA-N 1 0 310.195 2.222 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091318956 401996268 /nfs/dbraw/zinc/99/62/68/401996268.db2.gz MVIZEKFTCVPOCF-CABCVRRESA-N 1 0 316.449 2.335 10 0 DEAERO Cc1nn(C)c(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1Br ZINC000089233361 401940152 /nfs/dbraw/zinc/94/01/52/401940152.db2.gz JSHSEUIYKBINMF-JQWIXIFHSA-N 1 0 316.243 2.132 10 0 DEAERO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2cnn(C)c2)C1 ZINC000135457749 401940402 /nfs/dbraw/zinc/94/04/02/401940402.db2.gz RBBFZGSUGVVROE-SJORKVTESA-N 1 0 313.401 2.199 10 0 DEAERO CC(C)C[C@@H]1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000119313628 401940584 /nfs/dbraw/zinc/94/05/84/401940584.db2.gz KSSFPTWKVPFKLS-HOTGVXAUSA-N 1 0 316.511 2.416 10 0 DEAERO COc1cccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000150808679 401996676 /nfs/dbraw/zinc/99/66/76/401996676.db2.gz JAGMOIBTCKPCHI-AWEZNQCLSA-N 1 0 318.417 2.491 10 0 DEAERO N[C@H](C[NH3+])c1cc(Br)c(Br)s1 ZINC000044470147 401943652 /nfs/dbraw/zinc/94/36/52/401943652.db2.gz HLKUIHXLGJILOK-SCSAIBSYSA-N 1 0 300.019 2.232 10 0 DEAERO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000119402846 401947436 /nfs/dbraw/zinc/94/74/36/401947436.db2.gz NGZKQHFBVSNSHN-QWHCGFSZSA-N 1 0 306.406 2.413 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000151113400 402017114 /nfs/dbraw/zinc/01/71/14/402017114.db2.gz XZELFPNNUZSETK-LSDHHAIUSA-N 1 0 320.437 2.250 10 0 DEAERO CCC[C@H](C(=O)NC[C@@H](C)Oc1cccc(OC)c1)[NH+](C)C ZINC000121193919 402019423 /nfs/dbraw/zinc/01/94/23/402019423.db2.gz MEYKZTWDOJDOCB-CZUORRHYSA-N 1 0 308.422 2.309 10 0 DEAERO Cc1nn(C)c2sc(C(=O)N[C@@H]3CC[C@H]([NH+](C)C)C3)cc12 ZINC000093985981 402022168 /nfs/dbraw/zinc/02/21/68/402022168.db2.gz QDGHDAXOIFMFLX-MNOVXSKESA-N 1 0 306.435 2.156 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(C)s1 ZINC000050163420 402025957 /nfs/dbraw/zinc/02/59/57/402025957.db2.gz WLOUCQMZIMGNKK-PWSUYJOCSA-N 1 0 302.465 2.031 10 0 DEAERO COc1cccc(C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C2CC2)c1 ZINC000121404399 402033762 /nfs/dbraw/zinc/03/37/62/402033762.db2.gz AWVNZZMFKNEJJM-WBVHZDCISA-N 1 0 302.418 2.227 10 0 DEAERO O=C(NC1CC1)[C@H]1CCCN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000121512408 402040646 /nfs/dbraw/zinc/04/06/46/402040646.db2.gz WYQAVECCJUKTBS-QGZVFWFLSA-N 1 0 310.401 2.320 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc2c1OCO2 ZINC000052524769 402043535 /nfs/dbraw/zinc/04/35/35/402043535.db2.gz NPFXBHHVLXREOG-ZDUSSCGKSA-N 1 0 319.405 2.089 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(COC)c2)C1 ZINC000052525454 402043965 /nfs/dbraw/zinc/04/39/65/402043965.db2.gz UJRAMGVAVDDSHE-MRXNPFEDSA-N 1 0 305.422 2.117 10 0 DEAERO CSc1ccc(O[C@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000151601546 402045828 /nfs/dbraw/zinc/04/58/28/402045828.db2.gz CEZCGSIKLQPWIH-OLZOCXBDSA-N 1 0 308.447 2.338 10 0 DEAERO CCCN(CC(=O)NC)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000120786472 402002201 /nfs/dbraw/zinc/00/22/01/402002201.db2.gz LAPMTHIXCNVJRQ-CQSZACIVSA-N 1 0 323.824 2.291 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000122610658 402087137 /nfs/dbraw/zinc/08/71/37/402087137.db2.gz OXLUVGLOMPQLRP-HZPDHXFCSA-N 1 0 306.454 2.298 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC[N@@H+]1C ZINC000122774562 402094149 /nfs/dbraw/zinc/09/41/49/402094149.db2.gz KGIPZQHUSPTEAO-KMFMINBZSA-N 1 0 315.417 2.121 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N[C@H]1COc2ccccc21 ZINC000060587296 402105833 /nfs/dbraw/zinc/10/58/33/402105833.db2.gz APIKAPFUFDBIFW-HNNXBMFYSA-N 1 0 303.406 2.295 10 0 DEAERO Cc1cc(F)cc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000152766235 402107629 /nfs/dbraw/zinc/10/76/29/402107629.db2.gz YOMROGRVUWCWFQ-OAHLLOKOSA-N 1 0 309.385 2.102 10 0 DEAERO C[C@H](CNC(=O)N1CCC[C@@H]1C1CCCCC1)N1CCOCC1 ZINC000122104787 402061824 /nfs/dbraw/zinc/06/18/24/402061824.db2.gz GHZHBXFWOTYDNJ-NVXWUHKLSA-N 1 0 323.481 2.461 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2OCCO3)[C@H](C)C1 ZINC000122127861 402063125 /nfs/dbraw/zinc/06/31/25/402063125.db2.gz YRVQCOFQSLSQSN-HIFRSBDPSA-N 1 0 318.417 2.260 10 0 DEAERO COC(=O)c1cc(NC(=O)C[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000054306431 402066135 /nfs/dbraw/zinc/06/61/35/402066135.db2.gz XXTSZHXMDVBKAW-SNVBAGLBSA-N 1 0 310.781 2.455 10 0 DEAERO CC(C)(O)C[NH+]1CCN(C(=O)NC2CCC(C)(C)CC2)CC1 ZINC000151951497 402067777 /nfs/dbraw/zinc/06/77/77/402067777.db2.gz HHVZLROJSQEKTR-UHFFFAOYSA-N 1 0 311.470 2.053 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cn(C)nc1-c1cccnc1 ZINC000123392805 402125609 /nfs/dbraw/zinc/12/56/09/402125609.db2.gz YPMLDYMLROPSGV-QGZVFWFLSA-N 1 0 313.449 2.398 10 0 DEAERO COc1cccc(Cl)c1CC(=O)NCC1CC[NH+](C)CC1 ZINC000153085237 402125991 /nfs/dbraw/zinc/12/59/91/402125991.db2.gz QGSYLMAFPIAWNW-UHFFFAOYSA-N 1 0 310.825 2.349 10 0 DEAERO Cc1nnc(CN2CCC(CCC[NH+](C)C)CC2)n1C1CC1 ZINC000123422873 402127244 /nfs/dbraw/zinc/12/72/44/402127244.db2.gz LWYYFHJMWJGGII-UHFFFAOYSA-N 1 0 305.470 2.475 10 0 DEAERO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 ZINC000123425853 402127255 /nfs/dbraw/zinc/12/72/55/402127255.db2.gz RPPUDHYDCJTZDU-ARFHVFGLSA-N 1 0 306.450 2.498 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2Cc3cc(F)ccc3O2)CC[N@@H+]1C ZINC000123466771 402129163 /nfs/dbraw/zinc/12/91/63/402129163.db2.gz NNOVPMODMPDZPV-XFJVYGCCSA-N 1 0 306.381 2.070 10 0 DEAERO C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)N1CCOCC1 ZINC000123541837 402132958 /nfs/dbraw/zinc/13/29/58/402132958.db2.gz RUMXWSJMLUXQNA-GJZGRUSLSA-N 1 0 320.433 2.219 10 0 DEAERO CCOc1ccc(OCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123681340 402141447 /nfs/dbraw/zinc/14/14/47/402141447.db2.gz YTQOCHDSQPPNFH-CABCVRRESA-N 1 0 320.433 2.405 10 0 DEAERO CSCCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000153234181 402134732 /nfs/dbraw/zinc/13/47/32/402134732.db2.gz HZIOMPNPKKSVGN-UHFFFAOYSA-N 1 0 313.442 2.440 10 0 DEAERO Cn1ccnc1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000123649187 402139884 /nfs/dbraw/zinc/13/98/84/402139884.db2.gz ZZPYPXFVQISRMI-HNNXBMFYSA-N 1 0 312.417 2.313 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000123673236 402140753 /nfs/dbraw/zinc/14/07/53/402140753.db2.gz FSNDEOQXYLAUMP-QMTHXVAHSA-N 1 0 305.422 2.389 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc2c(c1)OCO2 ZINC000123340915 402122630 /nfs/dbraw/zinc/12/26/30/402122630.db2.gz DDIKKLAAYFDRLZ-AWEZNQCLSA-N 1 0 321.421 2.191 10 0 DEAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000123359982 402123810 /nfs/dbraw/zinc/12/38/10/402123810.db2.gz IAKAHRJMYDSNNC-WDEREUQCSA-N 1 0 302.340 2.475 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000123811042 402147814 /nfs/dbraw/zinc/14/78/14/402147814.db2.gz GKECLDFCFOEYBJ-UHFFFAOYSA-N 1 0 319.449 2.267 10 0 DEAERO Cc1ccsc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000124498788 402182672 /nfs/dbraw/zinc/18/26/72/402182672.db2.gz DVFHLSSPKLXVND-CQSZACIVSA-N 1 0 308.447 2.127 10 0 DEAERO COC[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000103433020 402188048 /nfs/dbraw/zinc/18/80/48/402188048.db2.gz YBRYMRXRNQGFER-ZIAGYGMSSA-N 1 0 310.463 2.359 10 0 DEAERO Cc1ccc([C@@H]2CCCC[N@@H+]2CCCN2C(=O)CNC2=O)o1 ZINC000124622395 402188527 /nfs/dbraw/zinc/18/85/27/402188527.db2.gz CMRCCGITEHOIMK-ZDUSSCGKSA-N 1 0 305.378 2.057 10 0 DEAERO CCCC1(CNC(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)CC1 ZINC000154198651 402198004 /nfs/dbraw/zinc/19/80/04/402198004.db2.gz DYHHJQWJWVFARN-OAHLLOKOSA-N 1 0 311.470 2.319 10 0 DEAERO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cnn(CCC)c2)C1 ZINC000124228632 402170368 /nfs/dbraw/zinc/17/03/68/402170368.db2.gz RIGVXQZKKIBQAX-HNNXBMFYSA-N 1 0 306.454 2.421 10 0 DEAERO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000106458431 402213840 /nfs/dbraw/zinc/21/38/40/402213840.db2.gz YUCFDCOSKSMKLR-SJLPKXTDSA-N 1 0 317.477 2.007 10 0 DEAERO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125284352 402223416 /nfs/dbraw/zinc/22/34/16/402223416.db2.gz PBSLYCBHDSUFKO-YYIAUSFCSA-N 1 0 307.482 2.335 10 0 DEAERO C[C@@H]1C[NH+](CC2CCN(C(=O)C3=COCCC3)CC2)C[C@@H](C)O1 ZINC000107586593 402236001 /nfs/dbraw/zinc/23/60/01/402236001.db2.gz WABIYFXKCPOAGX-HUUCEWRRSA-N 1 0 322.449 2.029 10 0 DEAERO COc1cc(C)c([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1OC ZINC000125501074 402236166 /nfs/dbraw/zinc/23/61/66/402236166.db2.gz JNYHFKJPHIFHIH-KDOFPFPSSA-N 1 0 323.433 2.452 10 0 DEAERO O=C(CCc1ccncc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107666379 402236977 /nfs/dbraw/zinc/23/69/77/402236977.db2.gz UNFWBXJKXUKJHV-QGZVFWFLSA-N 1 0 301.434 2.491 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000069701293 402239129 /nfs/dbraw/zinc/23/91/29/402239129.db2.gz KUYPNGFFSBCCSV-NSHDSACASA-N 1 0 321.450 2.004 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c(OC)c1 ZINC000125744837 402248035 /nfs/dbraw/zinc/24/80/35/402248035.db2.gz QZWWYKYEMFTUQK-CXAGYDPISA-N 1 0 309.406 2.144 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC000070120818 402257355 /nfs/dbraw/zinc/25/73/55/402257355.db2.gz SCWFCMRTAFJFCG-NSHDSACASA-N 1 0 302.827 2.069 10 0 DEAERO COCc1cc(N2CCC([NH3+])CC2)nc(-c2ccccc2F)n1 ZINC000070451828 402260624 /nfs/dbraw/zinc/26/06/24/402260624.db2.gz FLFVLPOFVRUTPE-UHFFFAOYSA-N 1 0 316.380 2.357 10 0 DEAERO [NH3+]C1CCN(c2ccc(-c3nc(-c4ccncc4)no3)cn2)CC1 ZINC000070457859 402261006 /nfs/dbraw/zinc/26/10/06/402261006.db2.gz XXFQVFQANQHNAE-UHFFFAOYSA-N 1 0 322.372 2.121 10 0 DEAERO [NH3+][C@H]1CCN(c2nccn3nc(-c4cc(F)cc(F)c4)cc23)C1 ZINC000070459346 402261423 /nfs/dbraw/zinc/26/14/23/402261423.db2.gz ADEDGMDECBOLKJ-ZDUSSCGKSA-N 1 0 315.327 2.212 10 0 DEAERO COc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000105211534 402206531 /nfs/dbraw/zinc/20/65/31/402206531.db2.gz XXDCXQVYMIJLKB-CQSZACIVSA-N 1 0 320.437 2.010 10 0 DEAERO COc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000105211537 402207135 /nfs/dbraw/zinc/20/71/35/402207135.db2.gz XXDCXQVYMIJLKB-AWEZNQCLSA-N 1 0 320.437 2.010 10 0 DEAERO CNC(=O)[C@@H]([NH2+]Cc1ccc(Br)s1)C(C)C ZINC000125027752 402209452 /nfs/dbraw/zinc/20/94/52/402209452.db2.gz JRQYHQCHTZDKAC-JTQLQIEISA-N 1 0 305.241 2.371 10 0 DEAERO COCCN1CCN([C@@H](C)c2nc(C(C)(C)C)no2)C[C@@H]1C ZINC000105833573 402209837 /nfs/dbraw/zinc/20/98/37/402209837.db2.gz NXRZQEDATLCFMR-STQMWFEESA-N 1 0 310.442 2.081 10 0 DEAERO CC1(C)C[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000125061851 402211408 /nfs/dbraw/zinc/21/14/08/402211408.db2.gz QNCOZDSNWFCUCD-SJORKVTESA-N 1 0 316.445 2.306 10 0 DEAERO Fc1cc(C[NH2+]Cc2cccs2)cnc1N1CCOCC1 ZINC000185078237 402322937 /nfs/dbraw/zinc/32/29/37/402322937.db2.gz BHJZRWBRUZQVFE-UHFFFAOYSA-N 1 0 307.394 2.409 10 0 DEAERO COc1ccc(CCNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000156128066 402276479 /nfs/dbraw/zinc/27/64/79/402276479.db2.gz PHOCFKSYRSXNQD-YOEHRIQHSA-N 1 0 319.449 2.266 10 0 DEAERO C[C@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)C1CCCC1 ZINC000184614011 402283627 /nfs/dbraw/zinc/28/36/27/402283627.db2.gz JUZJKNVUVOBBAH-HNNXBMFYSA-N 1 0 323.481 2.064 10 0 DEAERO COc1ccccc1[C@H]1CN(C(C)C)C(=O)[C@]12CCC[NH2+]C2 ZINC000216089324 402287196 /nfs/dbraw/zinc/28/71/96/402287196.db2.gz YRKXELOYZDQOQP-QAPCUYQASA-N 1 0 302.418 2.399 10 0 DEAERO CC1(C)CC[C@@H](C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)O1 ZINC000184654565 402289128 /nfs/dbraw/zinc/28/91/28/402289128.db2.gz IKPPQRKYDIULQZ-ROUUACIJSA-N 1 0 318.461 2.295 10 0 DEAERO CC(C)C[C@H](C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000184717170 402294391 /nfs/dbraw/zinc/29/43/91/402294391.db2.gz QKVQYDZYPFUMPQ-HNNXBMFYSA-N 1 0 309.498 2.343 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1cccc(O)c1 ZINC000176308383 402298389 /nfs/dbraw/zinc/29/83/89/402298389.db2.gz HHBXJIDYEVMFHM-OAHLLOKOSA-N 1 0 305.422 2.060 10 0 DEAERO Cc1ccc(O)c(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)n1 ZINC000222079351 402305457 /nfs/dbraw/zinc/30/54/57/402305457.db2.gz ZBQNPJITWDFFKC-LBPRGKRZSA-N 1 0 309.410 2.489 10 0 DEAERO CC(C)[C@@](C)(O)C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000184955755 402312357 /nfs/dbraw/zinc/31/23/57/402312357.db2.gz JFRJMSKSHYWSEB-SFHVURJKSA-N 1 0 304.434 2.242 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C/C=C/c1cccc(F)c1 ZINC000176494494 402314484 /nfs/dbraw/zinc/31/44/84/402314484.db2.gz QLHVRGCHABGJNQ-ZNNBYXKUSA-N 1 0 320.408 2.456 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCOC2CCCC2)C1 ZINC000158951860 402314957 /nfs/dbraw/zinc/31/49/57/402314957.db2.gz UZAZYLWKKSCMPW-ZBFHGGJFSA-N 1 0 311.470 2.364 10 0 DEAERO COc1ccccc1-c1nnc(CN2CC[NH+](C(C)C)CC2)o1 ZINC000159023279 402316272 /nfs/dbraw/zinc/31/62/72/402316272.db2.gz ZSZWKWLHXYUUJH-UHFFFAOYSA-N 1 0 316.405 2.271 10 0 DEAERO CCN(CCc1nccs1)CC(=O)NC(C1CC1)C1CC1 ZINC000159225383 402319474 /nfs/dbraw/zinc/31/94/74/402319474.db2.gz ZCAMOHADGGYROB-UHFFFAOYSA-N 1 0 307.463 2.312 10 0 DEAERO CC(C)c1nnc(CCC(=O)NCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000176558905 402319680 /nfs/dbraw/zinc/31/96/80/402319680.db2.gz VCYPHTAIVMYNIP-ZDUSSCGKSA-N 1 0 308.426 2.116 10 0 DEAERO CC[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Oc1cccc(C)c1 ZINC000176841416 402342316 /nfs/dbraw/zinc/34/23/16/402342316.db2.gz DMJRWWCCRCLJGH-CVEARBPZSA-N 1 0 319.449 2.498 10 0 DEAERO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@@H](CO)CC(C)C ZINC000185325949 402343711 /nfs/dbraw/zinc/34/37/11/402343711.db2.gz BUKPPTRYEVRGGL-QGZVFWFLSA-N 1 0 306.450 2.292 10 0 DEAERO CC(C)C[C@@H](CO)[N@H+](C)C[C@H](O)COc1ccccc1Cl ZINC000185345420 402345868 /nfs/dbraw/zinc/34/58/68/402345868.db2.gz KDWUBFKEHHJWKF-KBPBESRZSA-N 1 0 315.841 2.419 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)CC1CCCCC1 ZINC000177002677 402358207 /nfs/dbraw/zinc/35/82/07/402358207.db2.gz BXBISOOYHRMKPZ-INIZCTEOSA-N 1 0 323.481 2.016 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CNC(=O)CC1CCCCC1 ZINC000177001775 402358257 /nfs/dbraw/zinc/35/82/57/402358257.db2.gz BXBISOOYHRMKPZ-MRXNPFEDSA-N 1 0 323.481 2.016 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000177031429 402361834 /nfs/dbraw/zinc/36/18/34/402361834.db2.gz QDRGVKFRHRMDSZ-CYBMUJFWSA-N 1 0 322.453 2.242 10 0 DEAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccccn2)ncn1 ZINC000177125783 402372408 /nfs/dbraw/zinc/37/24/08/402372408.db2.gz ZFUIQSGNJRGQSW-KBPBESRZSA-N 1 0 312.421 2.233 10 0 DEAERO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236701982 402375659 /nfs/dbraw/zinc/37/56/59/402375659.db2.gz KQNLJIUGCYWQOS-ZIAGYGMSSA-N 1 0 303.406 2.199 10 0 DEAERO Cc1nccn1C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000177164971 402377099 /nfs/dbraw/zinc/37/70/99/402377099.db2.gz BKJHITGNDLGZNY-QGZVFWFLSA-N 1 0 318.465 2.303 10 0 DEAERO COc1cccc(CCC[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000177242887 402385041 /nfs/dbraw/zinc/38/50/41/402385041.db2.gz GDARJIHSRSEXBJ-APWZRJJASA-N 1 0 318.461 2.280 10 0 DEAERO COCc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000176693989 402328900 /nfs/dbraw/zinc/32/89/00/402328900.db2.gz WBAXVYTYXVUBCI-KBPBESRZSA-N 1 0 324.421 2.045 10 0 DEAERO C[NH+](C)C1(CNC(=O)C/C=C/c2cccc(F)c2)CCOCC1 ZINC000176699973 402329461 /nfs/dbraw/zinc/32/94/61/402329461.db2.gz NHDUDMBVKHQFHP-GQCTYLIASA-N 1 0 320.408 2.456 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c(C)s1 ZINC000227029918 402330721 /nfs/dbraw/zinc/33/07/21/402330721.db2.gz DQKBXMBRRKMUHX-JQWIXIFHSA-N 1 0 302.465 2.255 10 0 DEAERO CC(C)O[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2cncn2)C1(C)C ZINC000185198577 402333420 /nfs/dbraw/zinc/33/34/20/402333420.db2.gz CKMWMUDBVBYYHM-GJZGRUSLSA-N 1 0 315.421 2.344 10 0 DEAERO O=C(CC[N@@H+]1CCO[C@]2(CCOC2)C1)Nc1cccc(Cl)c1 ZINC000185205041 402334198 /nfs/dbraw/zinc/33/41/98/402334198.db2.gz PBPQDVVWUQKNGX-MRXNPFEDSA-N 1 0 324.808 2.160 10 0 DEAERO COc1cc(C[NH2+]CCC[C@H](C)O)cc(Br)c1O ZINC000227954706 402334795 /nfs/dbraw/zinc/33/47/95/402334795.db2.gz LRZASHZSRGGXMW-VIFPVBQESA-N 1 0 318.211 2.414 10 0 DEAERO C[NH2+]C1CCN(C(=O)[C@H](C)Sc2ccc(OC)cc2)CC1 ZINC000237083263 402394811 /nfs/dbraw/zinc/39/48/11/402394811.db2.gz OPLLIKNIAPJQDL-LBPRGKRZSA-N 1 0 308.447 2.386 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000237090888 402394977 /nfs/dbraw/zinc/39/49/77/402394977.db2.gz BUMVYFQDUPJECA-UHFFFAOYSA-N 1 0 315.186 2.412 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCCCO)C[C@H]12 ZINC000186026001 402396994 /nfs/dbraw/zinc/39/69/94/402396994.db2.gz OECYGAOPIUSLJP-QLFBSQMISA-N 1 0 312.454 2.384 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)CC1 ZINC000237153734 402397005 /nfs/dbraw/zinc/39/70/05/402397005.db2.gz WXNFXLDZSIHIHF-MLGOLLRUSA-N 1 0 315.417 2.105 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc(COC)c1 ZINC000177396694 402398036 /nfs/dbraw/zinc/39/80/36/402398036.db2.gz LBGGSJXFBSJIHV-KRWDZBQOSA-N 1 0 319.449 2.459 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)c(OC)cc2F)C1 ZINC000177409094 402399427 /nfs/dbraw/zinc/39/94/27/402399427.db2.gz LQEWFVTWWKBQQO-NSHDSACASA-N 1 0 310.369 2.057 10 0 DEAERO CO[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000237200957 402399415 /nfs/dbraw/zinc/39/94/15/402399415.db2.gz UQTURJLGWQWHSH-HUUCEWRRSA-N 1 0 306.381 2.019 10 0 DEAERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3cncn3C)C2)c1 ZINC000177411676 402399948 /nfs/dbraw/zinc/39/99/48/402399948.db2.gz CXZQXLZFJXXQJB-ZDUSSCGKSA-N 1 0 301.390 2.427 10 0 DEAERO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000177413830 402400070 /nfs/dbraw/zinc/40/00/70/402400070.db2.gz CQGOOKHAMKBPTM-OLZOCXBDSA-N 1 0 306.406 2.364 10 0 DEAERO COc1ccc(OCCCC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000237287380 402402340 /nfs/dbraw/zinc/40/23/40/402402340.db2.gz OJOBCYKZTDPHCC-HNNXBMFYSA-N 1 0 320.433 2.360 10 0 DEAERO C[C@@]([NH3+])(C(=O)NC1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000237364895 402405636 /nfs/dbraw/zinc/40/56/36/402405636.db2.gz OYDKMUHMZMDQFE-IBGZPJMESA-N 1 0 324.428 2.041 10 0 DEAERO CN1CCC(CNC(=O)[C@H]2C[C@H]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000177471940 402406860 /nfs/dbraw/zinc/40/68/60/402406860.db2.gz UPXSHSJTRWEVGO-IRXDYDNUSA-N 1 0 319.493 2.099 10 0 DEAERO C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccccc1-n1cccn1 ZINC000237429822 402408500 /nfs/dbraw/zinc/40/85/00/402408500.db2.gz DWQPYWRRQTWZEG-SWLSCSKDSA-N 1 0 300.406 2.423 10 0 DEAERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000177503306 402409885 /nfs/dbraw/zinc/40/98/85/402409885.db2.gz ZWUYEUPIDLWCIR-GJZGRUSLSA-N 1 0 314.389 2.339 10 0 DEAERO C[C@H](CC(=O)N1CCCC[C@@H]1c1cn[nH]c1)[C@@H]1CCC[NH2+]C1 ZINC000237522458 402411492 /nfs/dbraw/zinc/41/14/92/402411492.db2.gz DGDWZLDUMWOJPS-IIAWOOMASA-N 1 0 304.438 2.489 10 0 DEAERO CCN(Cc1csc(CC(=O)NC)n1)Cc1ccccc1 ZINC000177547355 402415051 /nfs/dbraw/zinc/41/50/51/402415051.db2.gz WMLBWFQVDCLQSA-UHFFFAOYSA-N 1 0 303.431 2.454 10 0 DEAERO C[C@](C[NH3+])(NC(=O)c1ccn(-c2cccc(Cl)c2)n1)C1CC1 ZINC000237622656 402415335 /nfs/dbraw/zinc/41/53/35/402415335.db2.gz JAYNHCPFOAXVAC-MRXNPFEDSA-N 1 0 318.808 2.383 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2nccn2C(F)F)C12CCOCC2 ZINC000186290458 402418131 /nfs/dbraw/zinc/41/81/31/402418131.db2.gz VLIVSPYFAADQHN-NEPJUHHUSA-N 1 0 315.364 2.342 10 0 DEAERO Cc1c(C(=O)N2CCC([NH3+])CC2)cnn1-c1ccccc1Cl ZINC000237736137 402419721 /nfs/dbraw/zinc/41/97/21/402419721.db2.gz QPCFSQMSQBMXQD-UHFFFAOYSA-N 1 0 318.808 2.397 10 0 DEAERO O=C1c2ccccc2C(=O)N1CC[NH2+]CCc1ccccc1F ZINC000237819493 402422149 /nfs/dbraw/zinc/42/21/49/402422149.db2.gz OSDUDQDPADMORS-UHFFFAOYSA-N 1 0 312.344 2.254 10 0 DEAERO [NH3+][C@H](CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000237858469 402423094 /nfs/dbraw/zinc/42/30/94/402423094.db2.gz MBEQPOALTHHUBO-HUUCEWRRSA-N 1 0 312.369 2.033 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccnc(N3CCCCC3)c2)C1 ZINC000237900462 402425158 /nfs/dbraw/zinc/42/51/58/402425158.db2.gz VAATZUUPYJJHMB-JKSUJKDBSA-N 1 0 316.449 2.206 10 0 DEAERO Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000162600428 402425471 /nfs/dbraw/zinc/42/54/71/402425471.db2.gz UYXLSIPFUOHXSP-HNNXBMFYSA-N 1 0 310.401 2.228 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C12CCOCC2 ZINC000186375214 402426327 /nfs/dbraw/zinc/42/63/27/402426327.db2.gz HVIYAKQYJFEYNV-OKZBNKHCSA-N 1 0 319.445 2.326 10 0 DEAERO CCCC[C@H](CCC)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000186387172 402427090 /nfs/dbraw/zinc/42/70/90/402427090.db2.gz JEZQPBCNYXNDTG-OAGGEKHMSA-N 1 0 313.486 2.442 10 0 DEAERO [NH3+][C@H]1CCC[C@H](C(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000238040352 402434088 /nfs/dbraw/zinc/43/40/88/402434088.db2.gz JLZGWCWMFHDZAN-RDJZCZTQSA-N 1 0 316.445 2.369 10 0 DEAERO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000238075707 402436555 /nfs/dbraw/zinc/43/65/55/402436555.db2.gz QYVMOCBBCPOGSQ-GJZGRUSLSA-N 1 0 316.426 2.218 10 0 DEAERO O=C(CSC[C@@H]1CCCCO1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186525331 402438966 /nfs/dbraw/zinc/43/89/66/402438966.db2.gz AAMAMRUSNRAFHB-ZFWWWQNUSA-N 1 0 312.479 2.032 10 0 DEAERO Cc1nc2ccccc2n1CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186527500 402439230 /nfs/dbraw/zinc/43/92/30/402439230.db2.gz AJOBNTBXAPMXSR-CQSZACIVSA-N 1 0 312.417 2.088 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000177842173 402440924 /nfs/dbraw/zinc/44/09/24/402440924.db2.gz RMGOBPIRJCNQIL-GDBMZVCRSA-N 1 0 317.433 2.493 10 0 DEAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000245201751 402451937 /nfs/dbraw/zinc/45/19/37/402451937.db2.gz ULPHNPVWFYBREA-JKSUJKDBSA-N 1 0 308.397 2.240 10 0 DEAERO O=C(NCCOc1cccc(F)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000178009157 402452125 /nfs/dbraw/zinc/45/21/25/402452125.db2.gz KFVQDESGADRGEF-KCXAZCMYSA-N 1 0 306.381 2.241 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)CCNC(=O)C(C)(C)C ZINC000237035105 402391888 /nfs/dbraw/zinc/39/18/88/402391888.db2.gz ZMJXHSCQTBCMOZ-UHFFFAOYSA-N 1 0 305.422 2.287 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)CCCCCNC(C)=O ZINC000237030592 402391975 /nfs/dbraw/zinc/39/19/75/402391975.db2.gz WHERTFDHIQJNJH-UHFFFAOYSA-N 1 0 305.422 2.431 10 0 DEAERO CSc1ccc(NC(=O)CN2CCCC[C@]2(C)C(N)=O)cc1 ZINC000185961709 402392950 /nfs/dbraw/zinc/39/29/50/402392950.db2.gz LKNPFVLKSQGMQE-MRXNPFEDSA-N 1 0 321.446 2.077 10 0 DEAERO C[NH2+]C1CCN(C(=O)CCCC(=O)c2ccc(OC)cc2)CC1 ZINC000237061728 402393601 /nfs/dbraw/zinc/39/36/01/402393601.db2.gz RJTPWIFBGGPQKT-UHFFFAOYSA-N 1 0 318.417 2.259 10 0 DEAERO CC1(C)C[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000161631991 402394020 /nfs/dbraw/zinc/39/40/20/402394020.db2.gz KLHLVBFJXOIPTR-MRXNPFEDSA-N 1 0 323.481 2.461 10 0 DEAERO COc1cc(F)c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000177355752 402394398 /nfs/dbraw/zinc/39/43/98/402394398.db2.gz MPIWTWDYDRJKKA-JTQLQIEISA-N 1 0 311.332 2.285 10 0 DEAERO NC(=O)c1coc(CNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000187734657 402510132 /nfs/dbraw/zinc/51/01/32/402510132.db2.gz UHJTVJWYUFWWKQ-UHFFFAOYSA-N 1 0 305.422 2.265 10 0 DEAERO COCCOc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000246122757 402511786 /nfs/dbraw/zinc/51/17/86/402511786.db2.gz KKSALMINTMAXJP-SJORKVTESA-N 1 0 323.458 2.418 10 0 DEAERO FC(F)(F)c1ccc(N2CCC([NH2+][C@@H]3CCOC3)CC2)nc1 ZINC000178043716 402455002 /nfs/dbraw/zinc/45/50/02/402455002.db2.gz GEINTGYOAXMIFR-CYBMUJFWSA-N 1 0 315.339 2.448 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1Cc2ccccc2C1 ZINC000186694410 402456356 /nfs/dbraw/zinc/45/63/56/402456356.db2.gz FHCXKRNOYLRDFN-KRWDZBQOSA-N 1 0 301.434 2.280 10 0 DEAERO CC(C)COC[C@H](O)CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000245407123 402457476 /nfs/dbraw/zinc/45/74/76/402457476.db2.gz ZOQBSAHHUWMNLX-JQHSSLGASA-N 1 0 307.434 2.482 10 0 DEAERO CC[C@@H]1C[N@H+](CCNS(C)(=O)=O)CC[C@H]1c1ccccc1 ZINC000245410447 402457546 /nfs/dbraw/zinc/45/75/46/402457546.db2.gz RBERKAMGHLFWLM-GDBMZVCRSA-N 1 0 310.463 2.051 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(C)cc2)[C@@H](C)C1 ZINC000245412427 402457781 /nfs/dbraw/zinc/45/77/81/402457781.db2.gz AODWAGPORBKMMD-WMZOPIPTSA-N 1 0 317.477 2.273 10 0 DEAERO Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)cc2)n1 ZINC000186713021 402458518 /nfs/dbraw/zinc/45/85/18/402458518.db2.gz CXRLNRBBYUNEFZ-SJCJKPOMSA-N 1 0 312.417 2.217 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)N(C)C ZINC000245426331 402459345 /nfs/dbraw/zinc/45/93/45/402459345.db2.gz FYYBZYIOKPSCNK-SJORKVTESA-N 1 0 303.450 2.232 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(F)cc1F ZINC000245427128 402459531 /nfs/dbraw/zinc/45/95/31/402459531.db2.gz LUQGIMGLRIXIRN-KBPBESRZSA-N 1 0 323.387 2.462 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H]1c2ccccc2NC1=O ZINC000245428836 402459723 /nfs/dbraw/zinc/45/97/23/402459723.db2.gz JOGVCEWJAIKGFZ-HIFRSBDPSA-N 1 0 315.417 2.055 10 0 DEAERO COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000245455063 402462011 /nfs/dbraw/zinc/46/20/11/402462011.db2.gz SJFRDAOLIFJCEO-FZCLSBEQSA-N 1 0 314.429 2.494 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](COC)c1ccco1 ZINC000245463358 402463184 /nfs/dbraw/zinc/46/31/84/402463184.db2.gz HEAIIMPCXZJNKM-UONOGXRCSA-N 1 0 309.410 2.093 10 0 DEAERO COC[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000245548511 402470208 /nfs/dbraw/zinc/47/02/08/402470208.db2.gz XUYFNFCFCZNSGL-RCCFBDPRSA-N 1 0 307.434 2.362 10 0 DEAERO COc1cccc([C@@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)c1 ZINC000164898198 402470243 /nfs/dbraw/zinc/47/02/43/402470243.db2.gz HMSSADFNGIQTHI-RHSMWYFYSA-N 1 0 320.433 2.229 10 0 DEAERO CC(C)COC(=O)N1CCC[N@H+](C[C@@](C)(O)C(C)C)CC1 ZINC000186915996 402471106 /nfs/dbraw/zinc/47/11/06/402471106.db2.gz GJQYAPKIIYUHIA-MRXNPFEDSA-N 1 0 300.443 2.194 10 0 DEAERO C[C@@H]1C[C@@H](N[C@@H]2CCCN(c3ccccc3)C2=O)CC[N@@H+]1C ZINC000178249262 402476084 /nfs/dbraw/zinc/47/60/84/402476084.db2.gz HOEVJANQEHCNJW-HLLBOEOZSA-N 1 0 301.434 2.254 10 0 DEAERO COc1ccc2nc(CN3CCO[C@H](C[NH+](C)C)C3)sc2c1 ZINC000186991104 402476773 /nfs/dbraw/zinc/47/67/73/402476773.db2.gz WNCOFQFXDCAVAX-CYBMUJFWSA-N 1 0 321.446 2.067 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2cccc(Cl)c2F)C[C@@H]1C ZINC000245687362 402479570 /nfs/dbraw/zinc/47/95/70/402479570.db2.gz AWEGIBOQWXRAHV-RYUDHWBXSA-N 1 0 300.805 2.366 10 0 DEAERO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cnn1CC(C)C ZINC000245703493 402480854 /nfs/dbraw/zinc/48/08/54/402480854.db2.gz CTQGWRYOOPHXTI-ZFWWWQNUSA-N 1 0 306.454 2.402 10 0 DEAERO C[C@@H]1C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)[C@H]1c1ccccc1 ZINC000246154892 402513125 /nfs/dbraw/zinc/51/31/25/402513125.db2.gz DHVZQEXMQKEUKB-BFYDXBDKSA-N 1 0 322.474 2.351 10 0 DEAERO CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178304810 402482484 /nfs/dbraw/zinc/48/24/84/402482484.db2.gz OUMOOTPGTFSMHG-GOEBONIOSA-N 1 0 306.454 2.351 10 0 DEAERO CC[C@]1(C)C[C@H]1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000246151558 402513299 /nfs/dbraw/zinc/51/32/99/402513299.db2.gz ZNXXKNYRBNFGCR-SOLBZPMBSA-N 1 0 307.482 2.051 10 0 DEAERO O=S(=O)(CC1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000178335642 402486502 /nfs/dbraw/zinc/48/65/02/402486502.db2.gz UFWJSFXMIKUCII-MRXNPFEDSA-N 1 0 314.495 2.457 10 0 DEAERO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000245809758 402489019 /nfs/dbraw/zinc/48/90/19/402489019.db2.gz GIDZNRFQENDKHL-IKGGRYGDSA-N 1 0 307.482 2.242 10 0 DEAERO Cn1nccc1C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000167176580 402489681 /nfs/dbraw/zinc/48/96/81/402489681.db2.gz NELVRBNEPPEPJP-JYJNAYRXSA-N 1 0 316.449 2.047 10 0 DEAERO CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H]3CCCC[C@H]32)C1=O ZINC000245845627 402491525 /nfs/dbraw/zinc/49/15/25/402491525.db2.gz JAVMEGWMFZOYKZ-UONOGXRCSA-N 1 0 307.438 2.362 10 0 DEAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000245859414 402492049 /nfs/dbraw/zinc/49/20/49/402492049.db2.gz OKJIMKRQQZYDPO-HFTRVMKXSA-N 1 0 302.418 2.025 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000245881127 402493870 /nfs/dbraw/zinc/49/38/70/402493870.db2.gz IARLFILKQYDICR-DYEKYZERSA-N 1 0 321.446 2.303 10 0 DEAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(Cn2cccn2)CC1 ZINC000168210106 402495074 /nfs/dbraw/zinc/49/50/74/402495074.db2.gz OBQHMTBMWWFREV-ULQDDVLXSA-N 1 0 316.449 2.042 10 0 DEAERO C[NH+](C)CCn1ccc(NCc2c[nH]c(-c3ccccc3)n2)n1 ZINC000178420407 402496640 /nfs/dbraw/zinc/49/66/40/402496640.db2.gz DZZKLQFAJAULHG-UHFFFAOYSA-N 1 0 310.405 2.447 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000245941290 402499469 /nfs/dbraw/zinc/49/94/69/402499469.db2.gz AVYHUQIXIUKNHH-MWDXBVQZSA-N 1 0 307.482 2.050 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccccc2F)C1 ZINC000245948771 402499576 /nfs/dbraw/zinc/49/95/76/402499576.db2.gz SGCHPVBUAXPXAH-GOEBONIOSA-N 1 0 305.397 2.451 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCc2ccccc2)C1 ZINC000245954695 402500178 /nfs/dbraw/zinc/50/01/78/402500178.db2.gz TULBZDPYSYUYMJ-DLBZAZTESA-N 1 0 301.434 2.355 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000245963136 402501086 /nfs/dbraw/zinc/50/10/86/402501086.db2.gz MWDZXKVFMNXHNQ-MCIONIFRSA-N 1 0 309.454 2.211 10 0 DEAERO Cc1cccc(OCCNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246160582 402513999 /nfs/dbraw/zinc/51/39/99/402513999.db2.gz DGNNFTFTDKSQFY-WBVHZDCISA-N 1 0 319.449 2.402 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000187476385 402502343 /nfs/dbraw/zinc/50/23/43/402502343.db2.gz CCKVIUMLLUCFPN-UONOGXRCSA-N 1 0 318.421 2.031 10 0 DEAERO COCc1csc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000178482329 402503337 /nfs/dbraw/zinc/50/33/37/402503337.db2.gz SWSXGEFQJAPJOW-AAEUAGOBSA-N 1 0 324.450 2.238 10 0 DEAERO O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246027802 402504436 /nfs/dbraw/zinc/50/44/36/402504436.db2.gz NMHZQBXHURNWSS-MELADBBJSA-N 1 0 306.356 2.375 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1ccccc1 ZINC000246047399 402505269 /nfs/dbraw/zinc/50/52/69/402505269.db2.gz BYDXWZPKAGOZCW-CVEARBPZSA-N 1 0 308.447 2.075 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccccc2F)[C@@H](C)C1 ZINC000246048131 402505542 /nfs/dbraw/zinc/50/55/42/402505542.db2.gz CCIZOMYJUGENNI-GXTWGEPZSA-N 1 0 314.426 2.177 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000246044234 402505551 /nfs/dbraw/zinc/50/55/51/402505551.db2.gz PIAIDILUMVLQQW-PVAVHDDUSA-N 1 0 302.418 2.335 10 0 DEAERO Cn1cc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c(-c2ccncc2)n1 ZINC000246055970 402506115 /nfs/dbraw/zinc/50/61/15/402506115.db2.gz YSCMWXDLXAQQKW-DOTOQJQBSA-N 1 0 314.433 2.465 10 0 DEAERO C[C@H]1CN(CCOc2cccc3ccccc32)CC[N@@H+]1CCO ZINC000187712004 402509513 /nfs/dbraw/zinc/50/95/13/402509513.db2.gz JBAHETXCJZNBJT-INIZCTEOSA-N 1 0 314.429 2.217 10 0 DEAERO O=C([C@H]1CCCC[NH2+]1)N1CCC(Nc2ccccc2F)CC1 ZINC000178810413 402542756 /nfs/dbraw/zinc/54/27/56/402542756.db2.gz GVXMIVPATSIDBC-MRXNPFEDSA-N 1 0 305.397 2.371 10 0 DEAERO CC(C)Oc1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000170936598 402543261 /nfs/dbraw/zinc/54/32/61/402543261.db2.gz PMXMJJXZFFMKML-HZPDHXFCSA-N 1 0 306.450 2.361 10 0 DEAERO COCc1cccc(CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000189537084 402544011 /nfs/dbraw/zinc/54/40/11/402544011.db2.gz NCEHNVMAIRSOAZ-WMLDXEAASA-N 1 0 302.418 2.071 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@H](C)c2cccs2)CC[N@@H+]1C[C@@H](C)O ZINC000246777489 402544522 /nfs/dbraw/zinc/54/45/22/402544522.db2.gz IQCPUCJTSAMAPP-MGPQQGTHSA-N 1 0 310.463 2.155 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCc1ccccn1 ZINC000246926407 402549396 /nfs/dbraw/zinc/54/93/96/402549396.db2.gz JJNRNQRKOUFOFC-SJORKVTESA-N 1 0 301.434 2.490 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](COC)c1ccccc1 ZINC000171038422 402551334 /nfs/dbraw/zinc/55/13/34/402551334.db2.gz MHURYSFFDAZSKK-GOEBONIOSA-N 1 0 307.438 2.404 10 0 DEAERO O=C(c1cc2c(s1)CCOC2)N1CCC[N@@H+](C2CC2)CC1 ZINC000171294352 402574891 /nfs/dbraw/zinc/57/48/91/402574891.db2.gz UYABIJUFULDERG-UHFFFAOYSA-N 1 0 306.431 2.131 10 0 DEAERO CC(C)c1ccc([C@@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000178920614 402555605 /nfs/dbraw/zinc/55/56/05/402555605.db2.gz RIVMTPVXSKRFGZ-KDOFPFPSSA-N 1 0 321.465 2.483 10 0 DEAERO COC(=O)Nc1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)ccc1F ZINC000171084569 402555761 /nfs/dbraw/zinc/55/57/61/402555761.db2.gz IUSPZEZZBJGSKS-NSHDSACASA-N 1 0 324.356 2.172 10 0 DEAERO CCOC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2cccs2)CC1 ZINC000171111045 402558784 /nfs/dbraw/zinc/55/87/84/402558784.db2.gz NRNJDOFMSDBLOL-GFCCVEGCSA-N 1 0 324.446 2.200 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2ccc(C)s2)CC[N@@H+]1C[C@H](C)O ZINC000247214300 402559999 /nfs/dbraw/zinc/55/99/99/402559999.db2.gz CMYNCFNZQQXPGP-AAEUAGOBSA-N 1 0 311.451 2.365 10 0 DEAERO Clc1cc(CC[NH2+]Cc2cncnc2)cc2c1OCCO2 ZINC000171131653 402560363 /nfs/dbraw/zinc/56/03/63/402560363.db2.gz DFQWRRXBEMLHNZ-UHFFFAOYSA-N 1 0 305.765 2.234 10 0 DEAERO Cc1ccc(C[C@@H](C)[N@H+](C)CC(=O)NC[C@H]2CCCO2)cc1 ZINC000247292166 402562796 /nfs/dbraw/zinc/56/27/96/402562796.db2.gz FFXPNWFLOFMQDW-NVXWUHKLSA-N 1 0 304.434 2.153 10 0 DEAERO COc1ccc(SCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000247313567 402563573 /nfs/dbraw/zinc/56/35/73/402563573.db2.gz OESOVVQAXFSGEN-KBPBESRZSA-N 1 0 320.458 2.482 10 0 DEAERO CC[C@H]1CN(C(=O)N[C@H]2CCCC2(C)C)CC[N@@H+]1CCOC ZINC000247326668 402564077 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O=C(c1cnn2c1CCCC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179088381 402571828 /nfs/dbraw/zinc/57/18/28/402571828.db2.gz ORLKTAWOGOPMQQ-UHFFFAOYSA-N 1 0 316.449 2.310 10 0 DEAERO C[N@H+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)CC1(CO)CC1 ZINC000190041447 402572670 /nfs/dbraw/zinc/57/26/70/402572670.db2.gz PKGYLGLQKHIMMQ-INIZCTEOSA-N 1 0 321.461 2.428 10 0 DEAERO Cc1cnc(CCN(C)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC000179141886 402575927 /nfs/dbraw/zinc/57/59/27/402575927.db2.gz NROCADMFOYFXAE-CYBMUJFWSA-N 1 0 324.494 2.367 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000246170176 402515072 /nfs/dbraw/zinc/51/50/72/402515072.db2.gz VHAHTPORRIUPMI-CVEARBPZSA-N 1 0 323.387 2.462 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2cc(C(C)(C)C)no2)C1 ZINC000188017160 402515208 /nfs/dbraw/zinc/51/52/08/402515208.db2.gz WNJMXTZURFBIQA-SJCJKPOMSA-N 1 0 323.437 2.394 10 0 DEAERO C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246251885 402520686 /nfs/dbraw/zinc/52/06/86/402520686.db2.gz 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CCc1cc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc(=O)[nH]1 ZINC000253558378 402669050 /nfs/dbraw/zinc/66/90/50/402669050.db2.gz XPTNRMHZXNQSJE-DOMZBBRYSA-N 1 0 305.422 2.152 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c(=O)c2ccccc12 ZINC000253587131 402669245 /nfs/dbraw/zinc/66/92/45/402669245.db2.gz JRARNRMCGDVJQY-STQMWFEESA-N 1 0 311.385 2.249 10 0 DEAERO O=C(NCC[C@H]1CCCCO1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000182189445 402670237 /nfs/dbraw/zinc/67/02/37/402670237.db2.gz HNOXGGOTPLRYHO-QGZVFWFLSA-N 1 0 323.481 2.463 10 0 DEAERO O=C(NCC[NH+]1CCCCC1)c1cnn(CCC(F)(F)F)c1 ZINC000182200505 402671508 /nfs/dbraw/zinc/67/15/08/402671508.db2.gz KORQTAUXDZUSQN-UHFFFAOYSA-N 1 0 318.343 2.051 10 0 DEAERO Cc1ccoc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000172751573 402673708 /nfs/dbraw/zinc/67/37/08/402673708.db2.gz TWTICUQGPGFWRC-UHFFFAOYSA-N 1 0 319.449 2.268 10 0 DEAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261900073 402719536 /nfs/dbraw/zinc/71/95/36/402719536.db2.gz YTWSJJUQZMHAPY-FGEZKYSXSA-N 1 0 313.804 2.078 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000172894692 402679405 /nfs/dbraw/zinc/67/94/05/402679405.db2.gz MZNSZGKMGYPNHS-ZDUSSCGKSA-N 1 0 316.430 2.371 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000182380886 402685004 /nfs/dbraw/zinc/68/50/04/402685004.db2.gz TZRSJIQWRCYNMQ-LBPRGKRZSA-N 1 0 318.343 2.002 10 0 DEAERO Cc1cccc2c1OCC[C@H]2NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000191875877 402695757 /nfs/dbraw/zinc/69/57/57/402695757.db2.gz ALLPDBUQQSVTIZ-GOEBONIOSA-N 1 0 317.433 2.412 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(CCSc2ccc(F)cc2)CC1 ZINC000174083515 402726294 /nfs/dbraw/zinc/72/62/94/402726294.db2.gz NUWOMJOCKYBDPM-HNNXBMFYSA-N 1 0 312.454 2.306 10 0 DEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000262506636 402726689 /nfs/dbraw/zinc/72/66/89/402726689.db2.gz AFFXPNUJFXILTI-ZNMIVQPWSA-N 1 0 309.841 2.329 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000262580096 402727826 /nfs/dbraw/zinc/72/78/26/402727826.db2.gz QEZNCKQEDGKFAH-AQUOVQTQSA-N 1 0 302.777 2.002 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@@H](O)C2)CC1 ZINC000174163672 402729541 /nfs/dbraw/zinc/72/95/41/402729541.db2.gz FEWNVACTDKKJCE-DZGCQCFKSA-N 1 0 311.470 2.100 10 0 DEAERO C[C@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1cccnc1 ZINC000174171077 402730053 /nfs/dbraw/zinc/73/00/53/402730053.db2.gz OHESIYXNOXXJKO-YJBOKZPZSA-N 1 0 311.429 2.474 10 0 DEAERO Cc1n[nH]cc1CCC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192466410 402730837 /nfs/dbraw/zinc/73/08/37/402730837.db2.gz BSWDYSWZGVXNTE-UHFFFAOYSA-N 1 0 316.430 2.354 10 0 DEAERO COCc1csc(NC(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000174377403 402738592 /nfs/dbraw/zinc/73/85/92/402738592.db2.gz ATZLXIMVQUDQKA-UHFFFAOYSA-N 1 0 312.439 2.284 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CN1C1CC1 ZINC000192626674 402740901 /nfs/dbraw/zinc/74/09/01/402740901.db2.gz YPZLGRXPHUGVLW-DGCLKSJQSA-N 1 0 317.458 2.315 10 0 DEAERO COc1cccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000174474284 402742702 /nfs/dbraw/zinc/74/27/02/402742702.db2.gz NKIJGHBGWRGAJU-HNNXBMFYSA-N 1 0 320.437 2.106 10 0 DEAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000263228084 402748153 /nfs/dbraw/zinc/74/81/53/402748153.db2.gz NBMFXVXAPCBBHF-YJBOKZPZSA-N 1 0 316.449 2.074 10 0 DEAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCCC(=O)NC(N)=O ZINC000183221043 402748333 /nfs/dbraw/zinc/74/83/33/402748333.db2.gz XDSUNBWZZSRUNP-HNNXBMFYSA-N 1 0 303.406 2.265 10 0 DEAERO Cc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c(Cl)cc1F ZINC000263235363 402748563 /nfs/dbraw/zinc/74/85/63/402748563.db2.gz NZGUSYGOFYSARA-LBPRGKRZSA-N 1 0 310.760 2.414 10 0 DEAERO Cc1nnnn1-c1cccc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000192823536 402752028 /nfs/dbraw/zinc/75/20/28/402752028.db2.gz JLAAZDIHAMOMHT-MQIPJXDCSA-N 1 0 300.410 2.111 10 0 DEAERO Cc1c(Cl)cccc1OCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263277621 402753196 /nfs/dbraw/zinc/75/31/96/402753196.db2.gz TVTXLJDRXMFXML-GFCCVEGCSA-N 1 0 322.796 2.187 10 0 DEAERO COC(=O)c1coc(C(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000183299784 402754621 /nfs/dbraw/zinc/75/46/21/402754621.db2.gz ZIJSFHDRFOSTOA-UHFFFAOYSA-N 1 0 322.405 2.451 10 0 DEAERO CC(C)COc1ccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263306176 402757082 /nfs/dbraw/zinc/75/70/82/402757082.db2.gz XYNOFKAVNWWHEH-OAHLLOKOSA-N 1 0 316.405 2.348 10 0 DEAERO CC[C@@H]1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CCO1 ZINC000183336524 402758195 /nfs/dbraw/zinc/75/81/95/402758195.db2.gz NQMLFSCCIGCSNR-OKZBNKHCSA-N 1 0 318.461 2.481 10 0 DEAERO COC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174950749 402765923 /nfs/dbraw/zinc/76/59/23/402765923.db2.gz QLRLDJKGCCZJSZ-INIZCTEOSA-N 1 0 304.434 2.392 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c(C)noc1Cl ZINC000174970647 402768018 /nfs/dbraw/zinc/76/80/18/402768018.db2.gz VVBRNAKXNGFJQU-NWDGAFQWSA-N 1 0 311.813 2.264 10 0 DEAERO COC(=O)c1coc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000183450005 402768792 /nfs/dbraw/zinc/76/87/92/402768792.db2.gz FZNQTRHVDSHFKI-RWMBFGLXSA-N 1 0 322.405 2.162 10 0 DEAERO Cc1noc2ncc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc12 ZINC000193269383 402769325 /nfs/dbraw/zinc/76/93/25/402769325.db2.gz FQZLBEXCFMVQFF-CYBMUJFWSA-N 1 0 304.394 2.237 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OC)cc1OC ZINC000174993801 402769872 /nfs/dbraw/zinc/76/98/72/402769872.db2.gz HBAMQGQWYCNSKI-UONOGXRCSA-N 1 0 318.417 2.403 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)NCC2(C)CCC2)C[C@H]1CC ZINC000175003115 402771068 /nfs/dbraw/zinc/77/10/68/402771068.db2.gz HRIUNNNLEVRWQQ-OAHLLOKOSA-N 1 0 311.470 2.319 10 0 DEAERO O=C(NCCc1ccsc1)NC1CC[NH+](CC2CC2)CC1 ZINC000193706344 402775994 /nfs/dbraw/zinc/77/59/94/402775994.db2.gz STDPOZYKNBOQSF-UHFFFAOYSA-N 1 0 307.463 2.464 10 0 DEAERO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+][C@H]1CCCOC1 ZINC000183563432 402776183 /nfs/dbraw/zinc/77/61/83/402776183.db2.gz LTIOEUVJPIHBSC-FUHWJXTLSA-N 1 0 304.434 2.137 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000183573270 402777301 /nfs/dbraw/zinc/77/73/01/402777301.db2.gz ONVZYMOURIDSKM-ZDUSSCGKSA-N 1 0 311.385 2.444 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000194310684 402791496 /nfs/dbraw/zinc/79/14/96/402791496.db2.gz KUDFKWCDUVCCLX-CYBMUJFWSA-N 1 0 305.378 2.064 10 0 DEAERO CCC[C@@H](C(=O)N1CC[C@](C(=O)OCC)(C(C)C)C1)[NH+](C)C ZINC000194325120 402792069 /nfs/dbraw/zinc/79/20/69/402792069.db2.gz NGVRSSIEFYHYTH-WMLDXEAASA-N 1 0 312.454 2.155 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000194326946 402792278 /nfs/dbraw/zinc/79/22/78/402792278.db2.gz XQGLEBMYCLTMCZ-OAHLLOKOSA-N 1 0 304.394 2.251 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(F)c(NC(C)=O)c2)C1 ZINC000194331947 402792614 /nfs/dbraw/zinc/79/26/14/402792614.db2.gz RZBFHPBZKFXKID-CYBMUJFWSA-N 1 0 322.384 2.390 10 0 DEAERO COc1cc(C[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)ccc1C ZINC000194338568 402792837 /nfs/dbraw/zinc/79/28/37/402792837.db2.gz VVYDUKUPUSJPQV-INIZCTEOSA-N 1 0 314.433 2.496 10 0 DEAERO C[C@H]1COCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000194353640 402793216 /nfs/dbraw/zinc/79/32/16/402793216.db2.gz KIRTZJLIIVNYJU-YOEHRIQHSA-N 1 0 322.424 2.389 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](COC)c1ccc(C)o1 ZINC000175274320 402793202 /nfs/dbraw/zinc/79/32/02/402793202.db2.gz LFIAABHLRRPFES-TZMCWYRMSA-N 1 0 311.426 2.305 10 0 DEAERO COC(=O)COc1ccccc1[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000183738078 402793719 /nfs/dbraw/zinc/79/37/19/402793719.db2.gz QBZFVOPQRCUOIG-AWEZNQCLSA-N 1 0 317.389 2.094 10 0 DEAERO COC[C@H](NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccco1 ZINC000175315259 402796389 /nfs/dbraw/zinc/79/63/89/402796389.db2.gz RHPHKZBFIXFMOA-KBPBESRZSA-N 1 0 311.426 2.243 10 0 DEAERO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c2c(n1)onc2C(C)C ZINC000194450520 402797865 /nfs/dbraw/zinc/79/78/65/402797865.db2.gz VJZMBCPGJQJPNK-LBPRGKRZSA-N 1 0 316.405 2.479 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000194628063 402806168 /nfs/dbraw/zinc/80/61/68/402806168.db2.gz MVYONTVEXGPDJH-UKRRQHHQSA-N 1 0 310.463 2.311 10 0 DEAERO CC(C)NC(=O)Nc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000194700393 402811280 /nfs/dbraw/zinc/81/12/80/402811280.db2.gz SKSFANSMFHIKQS-HNNXBMFYSA-N 1 0 318.421 2.041 10 0 DEAERO CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000175587186 402819344 /nfs/dbraw/zinc/81/93/44/402819344.db2.gz HWTLZPIRDKAXNH-CRAIPNDOSA-N 1 0 304.434 2.238 10 0 DEAERO CSCCCC(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000175931101 402843574 /nfs/dbraw/zinc/84/35/74/402843574.db2.gz CRYPBRMPSNVTAT-CQSZACIVSA-N 1 0 314.495 2.279 10 0 DEAERO C[C@@H]1C[NH+](CCC2CCN(C(=O)NC3CC3)CC2)C[C@@H](C)O1 ZINC000175621160 402822364 /nfs/dbraw/zinc/82/23/64/402822364.db2.gz UIBFNHLMRBVQFS-ZIAGYGMSSA-N 1 0 309.454 2.070 10 0 DEAERO COc1cccc2c1CCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC000184435407 402843697 /nfs/dbraw/zinc/84/36/97/402843697.db2.gz XAWRMRIVXDJQTN-UHFFFAOYSA-N 1 0 311.385 2.355 10 0 DEAERO Cc1nc2n(n1)C[C@@H](N[C@@H](c1cccs1)c1ncc[nH]1)CC2 ZINC000195021500 402827641 /nfs/dbraw/zinc/82/76/41/402827641.db2.gz TVATYTFBZFTKMQ-FZMZJTMJSA-N 1 0 314.418 2.065 10 0 DEAERO Cc1nc(CCCC(=O)N2CCC[N@@H+](C3CC3)CC2)cs1 ZINC000175950219 402844055 /nfs/dbraw/zinc/84/40/55/402844055.db2.gz ZRYITDMJIZAEJE-UHFFFAOYSA-N 1 0 307.463 2.471 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCc3cc(OC)ccc32)C1 ZINC000195154300 402834181 /nfs/dbraw/zinc/83/41/81/402834181.db2.gz FKKBJOJRIZDOCT-CQSZACIVSA-N 1 0 303.406 2.252 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000175855668 402838666 /nfs/dbraw/zinc/83/86/66/402838666.db2.gz NXPBYAMZYSZRCM-HNNXBMFYSA-N 1 0 319.348 2.174 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](CO)c1ccccc1 ZINC000175865418 402839142 /nfs/dbraw/zinc/83/91/42/402839142.db2.gz DMSRKDHDCPPPRO-IRXDYDNUSA-N 1 0 321.465 2.038 10 0 DEAERO CC(C)(Oc1ccc(F)cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195316980 402841351 /nfs/dbraw/zinc/84/13/51/402841351.db2.gz FMCOCFBSAFSWDU-AWEZNQCLSA-N 1 0 306.381 2.290 10 0 DEAERO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194099526 402784071 /nfs/dbraw/zinc/78/40/71/402784071.db2.gz XRGQRXGACPELQJ-MGPQQGTHSA-N 1 0 315.479 2.137 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(C)C)c2)C1 ZINC000194158020 402786418 /nfs/dbraw/zinc/78/64/18/402786418.db2.gz GPOCASSHKHCIPB-INIZCTEOSA-N 1 0 317.433 2.349 10 0 DEAERO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000195501649 402847470 /nfs/dbraw/zinc/84/74/70/402847470.db2.gz ANGDBWVBKYROJX-UONOGXRCSA-N 1 0 306.454 2.386 10 0 DEAERO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505578 402848077 /nfs/dbraw/zinc/84/80/77/402848077.db2.gz GITRFGUMUCFKLF-AWEZNQCLSA-N 1 0 304.438 2.380 10 0 DEAERO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506350 402848110 /nfs/dbraw/zinc/84/81/10/402848110.db2.gz JLUQMZCSIXPRGY-ZDUSSCGKSA-N 1 0 304.438 2.427 10 0 DEAERO CC1CCN(C(=O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)CC1 ZINC000195515687 402848923 /nfs/dbraw/zinc/84/89/23/402848923.db2.gz QFMGUWTXWKJINQ-MRXNPFEDSA-N 1 0 316.449 2.074 10 0 DEAERO C[C@H](C[NH+]1CCN(C)CC1)Nc1ncnc2cc(Cl)ccc21 ZINC000264422548 402877180 /nfs/dbraw/zinc/87/71/80/402877180.db2.gz RJALRMAVWFVDHK-GFCCVEGCSA-N 1 0 319.840 2.331 10 0 DEAERO CC[C@@H]1CN(c2ncnc3ccc(C)cc32)CC[N@@H+]1C[C@@H](C)O ZINC000266369187 402968737 /nfs/dbraw/zinc/96/87/37/402968737.db2.gz LJRBNSKVMYYSOJ-HUUCEWRRSA-N 1 0 314.433 2.220 10 0 DEAERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000281230320 403061289 /nfs/dbraw/zinc/06/12/89/403061289.db2.gz LBIUYGLLSGPKIQ-BRWVUGGUSA-N 1 0 302.418 2.301 10 0 DEAERO Cn1cc(C[NH2+]C[C@@H]2CCc3nccn3C2)c(C(C)(C)C)n1 ZINC000275470575 403102763 /nfs/dbraw/zinc/10/27/63/403102763.db2.gz HRIIZCBWQIEDIX-ZDUSSCGKSA-N 1 0 301.438 2.266 10 0 DEAERO CN(Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cc[nH]n1)CC2 ZINC000275556382 403105677 /nfs/dbraw/zinc/10/56/77/403105677.db2.gz GGISCCCSONLXIC-CQSZACIVSA-N 1 0 317.462 2.353 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)NC(C)(C)C ZINC000268767674 403111648 /nfs/dbraw/zinc/11/16/48/403111648.db2.gz RAOJHBZOBSPHBA-WBVHZDCISA-N 1 0 317.477 2.401 10 0 DEAERO COCCOc1ccccc1C[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275662361 403113757 /nfs/dbraw/zinc/11/37/57/403113757.db2.gz VDOHMFBKUHXLTG-OAHLLOKOSA-N 1 0 315.417 2.261 10 0 DEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000282389876 403149117 /nfs/dbraw/zinc/14/91/17/403149117.db2.gz OXAUHYSSTLHMFQ-PRHODGIISA-N 1 0 315.186 2.345 10 0 DEAERO Cc1nc2cccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2[nH]1 ZINC000283824725 403226650 /nfs/dbraw/zinc/22/66/50/403226650.db2.gz FMVHJQXYOAHWLN-WCQYABFASA-N 1 0 300.406 2.426 10 0 DEAERO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cn[nH]c1 ZINC000270371010 403184973 /nfs/dbraw/zinc/18/49/73/403184973.db2.gz TYQMHRSDHPWREZ-UKRRQHHQSA-N 1 0 305.426 2.131 10 0 DEAERO Cn1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1C1CC1 ZINC000270398991 403187615 /nfs/dbraw/zinc/18/76/15/403187615.db2.gz CBYUIKOFNJJNGM-FUHWJXTLSA-N 1 0 324.428 2.473 10 0 DEAERO C[C@@H]1OCC[C@]1(C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000332880131 403630272 /nfs/dbraw/zinc/63/02/72/403630272.db2.gz VFTQUMIORGKXPW-MBGYTDRXSA-N 1 0 317.433 2.299 10 0 DEAERO C[NH2+]C[C@@H]1CCCN(C(=O)Nc2cccc3c2OCCC3=O)C1 ZINC000333084252 403662713 /nfs/dbraw/zinc/66/27/13/403662713.db2.gz BFZNXHSGGYCSTG-LBPRGKRZSA-N 1 0 317.389 2.115 10 0 DEAERO CC1CC[NH+](C2CCC(NC(=O)N[C@H]3C[C@@](C)(O)C3)CC2)CC1 ZINC000333142881 403675881 /nfs/dbraw/zinc/67/58/81/403675881.db2.gz CPDPCRBPAJXGJD-BKNOSUHRSA-N 1 0 323.481 2.242 10 0 DEAERO COc1ccc(Cl)cc1CNC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333224294 403699347 /nfs/dbraw/zinc/69/93/47/403699347.db2.gz ARAUOVIALWRZIA-UHFFFAOYSA-N 1 0 323.824 2.386 10 0 DEAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CCN(c3cc(C)[nH]n3)CC2)C12CCC2 ZINC000333509566 403770054 /nfs/dbraw/zinc/77/00/54/403770054.db2.gz DXONQNFZOUPCHD-IAOVAPTHSA-N 1 0 318.465 2.480 10 0 DEAERO c1cc2c(s1)C[N@H+](CCc1nnnn1-c1ccccc1)CC2 ZINC000341012153 403735002 /nfs/dbraw/zinc/73/50/02/403735002.db2.gz MDUITFPGOGWQAN-UHFFFAOYSA-N 1 0 311.414 2.325 10 0 DEAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000303080317 403747000 /nfs/dbraw/zinc/74/70/00/403747000.db2.gz MKNIMTXDOGQCET-QRQLOZEOSA-N 1 0 318.461 2.123 10 0 DEAERO C=Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000295293390 403836509 /nfs/dbraw/zinc/83/65/09/403836509.db2.gz UILUCICKHCJOSQ-DZGCQCFKSA-N 1 0 308.447 2.433 10 0 DEAERO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCc3nnnn3CC1)CCC2 ZINC000333709146 403826398 /nfs/dbraw/zinc/82/63/98/403826398.db2.gz IDFCVVGYEQSNHA-GHMZBOCLSA-N 1 0 318.450 2.064 10 0 DEAERO CC(C)Cc1nsc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000333708386 403826887 /nfs/dbraw/zinc/82/68/87/403826887.db2.gz RXEWDZVYICCRRO-UKRRQHHQSA-N 1 0 324.494 2.459 10 0 DEAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000333720833 403831469 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O[C@@H](CC[NH2+]Cc1ccc(Br)o1)C(F)(F)F ZINC000336669325 403911942 /nfs/dbraw/zinc/91/19/42/403911942.db2.gz GXKWGIWKSBLYOX-ZETCQYMHSA-N 1 0 302.090 2.445 10 0 DEAERO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000369174627 403991296 /nfs/dbraw/zinc/99/12/96/403991296.db2.gz PXEFYOFLNOORKO-YCPHGPKFSA-N 1 0 316.449 2.178 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@H+](CCN1CCO[C@@H](C)C1)CC2 ZINC000369118194 403972090 /nfs/dbraw/zinc/97/20/90/403972090.db2.gz UHCPXJKAMXZWBM-HNNXBMFYSA-N 1 0 316.445 2.011 10 0 DEAERO CCS(=O)(=O)NCCNCc1cc(Cl)sc1Cl ZINC000312609824 403972559 /nfs/dbraw/zinc/97/25/59/403972559.db2.gz VMGWPMYONFMQTK-UHFFFAOYSA-N 1 0 317.263 2.084 10 0 DEAERO CN1CC[N@H+](C)C[C@H]1CNCc1cc(Cl)sc1Cl ZINC000312599357 403973216 /nfs/dbraw/zinc/97/32/16/403973216.db2.gz KIENWOSFZRLQGN-SNVBAGLBSA-N 1 0 308.278 2.390 10 0 DEAERO Cc1cn[nH]c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000289464046 403975366 /nfs/dbraw/zinc/97/53/66/403975366.db2.gz IJMBBDBVNJTCJZ-QWHCGFSZSA-N 1 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ZINC000451238816 404915437 /nfs/dbraw/zinc/91/54/37/404915437.db2.gz FAQGVOQRLFCCMM-IAQYHMDHSA-N 1 0 304.390 2.373 10 0 DEAERO CCOC(=O)C1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000434833421 404939165 /nfs/dbraw/zinc/93/91/65/404939165.db2.gz KVWHDKYXXBKIFK-UHFFFAOYSA-N 1 0 303.362 2.445 10 0 DEAERO C[C@@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@H]1[NH3+] ZINC000423945205 404940585 /nfs/dbraw/zinc/94/05/85/404940585.db2.gz HYGFSTNFFAFHMG-ZWNOBZJWSA-N 1 0 311.223 2.187 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c(C)s1 ZINC000389772748 405038940 /nfs/dbraw/zinc/03/89/40/405038940.db2.gz BJEHOGBUODDKRE-LBPRGKRZSA-N 1 0 302.465 2.031 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2F)C1 ZINC000389989317 405043074 /nfs/dbraw/zinc/04/30/74/405043074.db2.gz MVLPXVQNIVENHS-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)N2CCC[N@@H+](C)CC2)c(Cl)c1 ZINC000408154577 405126959 /nfs/dbraw/zinc/12/69/59/405126959.db2.gz PZVVRQVOGHJIRM-UHFFFAOYSA-N 1 0 324.812 2.468 10 0 DEAERO 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/nfs/dbraw/zinc/15/64/82/405156482.db2.gz ODZOOXLQGWJHHY-RYUDHWBXSA-N 1 0 323.466 2.040 10 0 DEAERO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)CC1CCCCC1 ZINC000134022512 299780844 /nfs/dbraw/zinc/78/08/44/299780844.db2.gz RNEYJIWFKAWZEZ-ZFWWWQNUSA-N 1 0 302.484 2.394 10 0 DEAERO C[C@H](C1CC1)n1nccc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000408345840 405180398 /nfs/dbraw/zinc/18/03/98/405180398.db2.gz NLIBADGOQKJHFY-FRRDWIJNSA-N 1 0 305.426 2.410 10 0 DEAERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3csnn3)C1)CCCC2 ZINC000408386108 405194132 /nfs/dbraw/zinc/19/41/32/405194132.db2.gz QKIZBLZDMGYAJW-NSHDSACASA-N 1 0 317.418 2.009 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)N[C@H](C)CCC[NH3+])CC2 ZINC000418689770 405168285 /nfs/dbraw/zinc/16/82/85/405168285.db2.gz OUBSHTQHFDCKDK-CYBMUJFWSA-N 1 0 317.433 2.127 10 0 DEAERO COC1([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)CCOCC1 ZINC000453137511 405286426 /nfs/dbraw/zinc/28/64/26/405286426.db2.gz XNZKPSRAPUOJTH-DOTOQJQBSA-N 1 0 307.434 2.326 10 0 DEAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cs1 ZINC000453149711 405287027 /nfs/dbraw/zinc/28/70/27/405287027.db2.gz LHZXTMGPABEEOE-SWLSCSKDSA-N 1 0 308.447 2.487 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CC)COCC(F)(F)F ZINC000452745962 405237065 /nfs/dbraw/zinc/23/70/65/405237065.db2.gz ONWHFAUWROCZHQ-VXGBXAGGSA-N 1 0 310.360 2.335 10 0 DEAERO CC=CC[C@@H]1NC(=O)N(c2cccc(OCC[NH+](C)C)c2)C1=O ZINC000445912731 405362617 /nfs/dbraw/zinc/36/26/17/405362617.db2.gz KWPBLQJVTRISIH-XVWMLYKFSA-N 1 0 317.389 2.018 10 0 DEAERO CCc1noc(C)c1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000454626763 405374599 /nfs/dbraw/zinc/37/45/99/405374599.db2.gz TWNOADYASOLCOE-CYBMUJFWSA-N 1 0 322.453 2.467 10 0 DEAERO c1ccc(N2CCN(CCC[N@@H+]3CC[C@]34CCOC4)CC2)cc1 ZINC000421018699 405431648 /nfs/dbraw/zinc/43/16/48/405431648.db2.gz LNVSVJSYRHAXDX-LJQANCHMSA-N 1 0 315.461 2.064 10 0 DEAERO c1c2cccnc2oc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000449013591 405497999 /nfs/dbraw/zinc/49/79/99/405497999.db2.gz DISVHFABPPUWKX-HNNXBMFYSA-N 1 0 301.390 2.124 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000638586236 405559141 /nfs/dbraw/zinc/55/91/41/405559141.db2.gz LUWNQDSBTNDPJA-UHFFFAOYSA-N 1 0 305.205 2.301 10 0 DEAERO COc1nsc(C[NH2+]CC2(C)COC2)c1Br ZINC000638593952 405561866 /nfs/dbraw/zinc/56/18/66/405561866.db2.gz AONLXNHTYGFHNA-UHFFFAOYSA-N 1 0 307.213 2.040 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nn(C)c(C)c3Cl)[C@@H]2C1 ZINC000577853961 405527886 /nfs/dbraw/zinc/52/78/86/405527886.db2.gz KIKWRHOMTABECW-BFHYXJOUSA-N 1 0 324.856 2.119 10 0 DEAERO [NH3+]C1(CNC(=O)Cc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000638534413 405532887 /nfs/dbraw/zinc/53/28/87/405532887.db2.gz ASDSUPWKWMCUMI-UHFFFAOYSA-N 1 0 317.216 2.160 10 0 DEAERO COc1nsc(C[NH2+]C[C@H]2CCC[C@H]2O)c1Br ZINC000638713212 405630773 /nfs/dbraw/zinc/63/07/73/405630773.db2.gz WLCUZRIIUIDYMJ-HTQZYQBOSA-N 1 0 321.240 2.165 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)c2sccc2Br)C[NH2+]1 ZINC000638651887 405595507 /nfs/dbraw/zinc/59/55/07/405595507.db2.gz HSALQGJOQKIASN-JGVFFNPUSA-N 1 0 303.225 2.381 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)c2cc(F)ccc2Br)C[NH2+]1 ZINC000638656435 405599580 /nfs/dbraw/zinc/59/95/80/405599580.db2.gz ZFBHMFIMYNPEBU-WCBMZHEXSA-N 1 0 315.186 2.459 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)COc2ccc(F)cc2Cl)C[NH2+]1 ZINC000638656863 405599965 /nfs/dbraw/zinc/59/99/65/405599965.db2.gz LNCHMCMEGKTYBO-GXSJLCMTSA-N 1 0 300.761 2.115 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)CSc2ccc(F)c(F)c2)C[NH2+]1 ZINC000638657711 405600133 /nfs/dbraw/zinc/60/01/33/405600133.db2.gz NAXJHAJNDZYPOV-ZJUUUORDSA-N 1 0 300.374 2.314 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)c2c(F)cncc2F)CC1 ZINC000557994621 405638498 /nfs/dbraw/zinc/63/84/98/405638498.db2.gz HJGOXEWMPIPIEO-LBPRGKRZSA-N 1 0 324.375 2.372 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(F)ccc1Br ZINC000638771476 405659807 /nfs/dbraw/zinc/65/98/07/405659807.db2.gz MMJHFUZZUMMXSP-WRWORJQWSA-N 1 0 301.159 2.068 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCc1cccc(Br)c1 ZINC000638772585 405661533 /nfs/dbraw/zinc/66/15/33/405661533.db2.gz VXQFVCYPKIURHN-GXFFZTMASA-N 1 0 311.223 2.248 10 0 DEAERO CC(C)(C[NH+]1CCCC1)NC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000457060871 405675160 /nfs/dbraw/zinc/67/51/60/405675160.db2.gz YDCDXCQLLQBZLB-UHFFFAOYSA-N 1 0 314.429 2.349 10 0 DEAERO CC(=O)c1cccc(O[C@H](C)C(=O)N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000638816103 405689277 /nfs/dbraw/zinc/68/92/77/405689277.db2.gz BBORYWBSCZQUFW-GDBMZVCRSA-N 1 0 318.417 2.386 10 0 DEAERO CC(=O)c1ccc(CC(=O)N2CCOc3ccc(C[NH3+])cc32)cc1 ZINC000638806464 405681651 /nfs/dbraw/zinc/68/16/51/405681651.db2.gz ZAAVBHZBVPIMKJ-UHFFFAOYSA-N 1 0 324.380 2.316 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC000494443698 405698848 /nfs/dbraw/zinc/69/88/48/405698848.db2.gz BWAKTXRCGMSOHA-UHFFFAOYSA-N 1 0 304.434 2.373 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N[C@H]3CC[NH2+]CC3(C)C)cc2)c1 ZINC000449701857 405699090 /nfs/dbraw/zinc/69/90/90/405699090.db2.gz XOZFBUKRUOZQCB-INIZCTEOSA-N 1 0 312.417 2.299 10 0 DEAERO C[N@H+](Cc1cccc2c[nH]nc21)C1CCN(c2cnccn2)CC1 ZINC000568709518 292360696 /nfs/dbraw/zinc/36/06/96/292360696.db2.gz WOCPSIDAMPGVRA-UHFFFAOYSA-N 1 0 322.416 2.454 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1CCCC12CC2 ZINC000638834261 405703201 /nfs/dbraw/zinc/70/32/01/405703201.db2.gz OABSJZGPZGQHPQ-CWRNSKLLSA-N 1 0 302.418 2.368 10 0 DEAERO [NH3+][C@@H]1CCCCCN(C(=O)c2ccncc2Br)C1 ZINC000638840062 405706460 /nfs/dbraw/zinc/70/64/60/405706460.db2.gz TYFBHTLAOCYWFI-SNVBAGLBSA-N 1 0 312.211 2.188 10 0 DEAERO CC[C@@](C)(NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000638858133 405720709 /nfs/dbraw/zinc/72/07/09/405720709.db2.gz LQRUNFSHGNDQCV-SJLPKXTDSA-N 1 0 303.450 2.141 10 0 DEAERO CC(=O)c1cccc(OCCCC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000638890584 405743397 /nfs/dbraw/zinc/74/33/97/405743397.db2.gz CVZXUAMDAVMZGU-CZUORRHYSA-N 1 0 318.417 2.101 10 0 DEAERO O[C@]1(c2cn[nH]n2)CCC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000583617889 405776622 /nfs/dbraw/zinc/77/66/22/405776622.db2.gz GLGPGDBSZDINFK-LJQANCHMSA-N 1 0 322.412 2.484 10 0 DEAERO CN1C(=O)C[C@@H](Nc2cc[nH+]c3ccccc23)[C@@H]1c1cccnc1 ZINC000583617887 405776826 /nfs/dbraw/zinc/77/68/26/405776826.db2.gz FQZCPRHPLQTBEK-MJGOQNOKSA-N 1 0 318.380 2.436 10 0 DEAERO COc1nsc(C[NH2+]CCC[C@H](C)O)c1Br ZINC000639112192 405890707 /nfs/dbraw/zinc/89/07/07/405890707.db2.gz JGIHUAIZGMHFJW-ZETCQYMHSA-N 1 0 309.229 2.165 10 0 DEAERO C[C@@H](CN1CCC[C@H](C[NH+]2CCCCCC2)C1)S(C)(=O)=O ZINC000450352800 405852450 /nfs/dbraw/zinc/85/24/50/405852450.db2.gz ZSXNAZYTZNXMPW-JKSUJKDBSA-N 1 0 316.511 2.008 10 0 DEAERO c1ccc(N2CC[C@@H](C[N@@H+]3CCO[C@]4(CCCOC4)C3)C2)cc1 ZINC000639157393 405933020 /nfs/dbraw/zinc/93/30/20/405933020.db2.gz NDTFHEPRWOPFQL-PKOBYXMFSA-N 1 0 316.445 2.394 10 0 DEAERO CC(C)[C@H]([NH2+]Cc1nnc(C2CC2)n1C)C1(CO)CCCC1 ZINC000459548832 405950655 /nfs/dbraw/zinc/95/06/55/405950655.db2.gz YJSULDXUXURNND-HNNXBMFYSA-N 1 0 306.454 2.359 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000457590298 405910517 /nfs/dbraw/zinc/91/05/17/405910517.db2.gz FFRVYNLOPLTGMR-CJNGLKHVSA-N 1 0 318.417 2.194 10 0 DEAERO Brc1cnc2c(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)cnn2c1 ZINC000639279677 406017809 /nfs/dbraw/zinc/01/78/09/406017809.db2.gz IVFIAPKRUJUVKR-BZBKMWRSSA-N 1 0 307.195 2.380 10 0 DEAERO CCN(CCC[NH+]1CCCC1)C(=O)NCCOCC1CCC1 ZINC000568942665 292377593 /nfs/dbraw/zinc/37/75/93/292377593.db2.gz VLXXIIZSQVDFTH-UHFFFAOYSA-N 1 0 311.470 2.321 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc([C@H]2CCCO2)no1 ZINC000634557673 406171365 /nfs/dbraw/zinc/17/13/65/406171365.db2.gz DJYHJGHQMRNAOX-ZIAGYGMSSA-N 1 0 302.378 2.053 10 0 DEAERO CC1(C)C[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)Cc2ccccc21 ZINC000534668170 406193948 /nfs/dbraw/zinc/19/39/48/406193948.db2.gz MLTDSDIZVCZMCX-SJORKVTESA-N 1 0 319.445 2.336 10 0 DEAERO COC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000535075133 406211486 /nfs/dbraw/zinc/21/14/86/406211486.db2.gz ROLBCHILNORQPQ-CZUORRHYSA-N 1 0 303.406 2.108 10 0 DEAERO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1c(Br)cnn1C ZINC000487302733 406222853 /nfs/dbraw/zinc/22/28/53/406222853.db2.gz RFJQCTQAPDGNFK-UWVGGRQHSA-N 1 0 304.232 2.069 10 0 DEAERO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(Br)cnn1C ZINC000487552137 406244854 /nfs/dbraw/zinc/24/48/54/406244854.db2.gz WRSDMRCVAPPKRB-BXKDBHETSA-N 1 0 302.216 2.087 10 0 DEAERO O=C(c1occc1Br)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632858318 406294700 /nfs/dbraw/zinc/29/47/00/406294700.db2.gz LDLCXYKPXBLTJT-MWLCHTKSSA-N 1 0 313.195 2.256 10 0 DEAERO O=C(c1occc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570080032 406342630 /nfs/dbraw/zinc/34/26/30/406342630.db2.gz ZLKHCMZHXYVLGD-CYBMUJFWSA-N 1 0 313.195 2.258 10 0 DEAERO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488740193 406344346 /nfs/dbraw/zinc/34/43/46/406344346.db2.gz AGSUVUXLWVNKOX-VNHYZAJKSA-N 1 0 322.474 2.287 10 0 DEAERO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488800144 406350324 /nfs/dbraw/zinc/35/03/24/406350324.db2.gz DVRFNOWQBCUPFR-WMZOPIPTSA-N 1 0 318.461 2.436 10 0 DEAERO CO[C@H](C[NH2+][C@H]1CCCS(=O)(=O)CC1)C1CCCCC1 ZINC000634987336 406387000 /nfs/dbraw/zinc/38/70/00/406387000.db2.gz SIYIEZDYPKHLST-LSDHHAIUSA-N 1 0 303.468 2.139 10 0 DEAERO c1nc([C@H](NCc2cccc3c2CC[NH2+]C3)c2ccccc2)n[nH]1 ZINC000635008703 406396732 /nfs/dbraw/zinc/39/67/32/406396732.db2.gz GTEKAZWKNZAQGW-GOSISDBHSA-N 1 0 319.412 2.330 10 0 DEAERO COc1cc(C)cc(NC(=O)NCCOCC[NH+](C)C)c1C ZINC000489722946 406427310 /nfs/dbraw/zinc/42/73/10/406427310.db2.gz RXROEQWFLXFPNQ-UHFFFAOYSA-N 1 0 309.410 2.012 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000634969441 406379065 /nfs/dbraw/zinc/37/90/65/406379065.db2.gz NYZFLELIPBNNST-KGLIPLIRSA-N 1 0 301.452 2.035 10 0 DEAERO [NH3+]C[C@@]1(C(=O)Nc2ccc(Br)cc2)CCCOC1 ZINC000637868386 406454283 /nfs/dbraw/zinc/45/42/83/406454283.db2.gz GSUCQWACSUSNOM-ZDUSSCGKSA-N 1 0 313.195 2.143 10 0 DEAERO c1c(CN2CC[NH+](CCC[C@@H]3CCO3)CC2)nc2ccccn12 ZINC000637878129 406458733 /nfs/dbraw/zinc/45/87/33/406458733.db2.gz DKONLWIBSTWXAK-QGZVFWFLSA-N 1 0 314.433 2.021 10 0 DEAERO C[C@@](O)(C[NH2+][C@H]1CCOC2(CCSCC2)C1)C(F)(F)F ZINC000570955569 406461428 /nfs/dbraw/zinc/46/14/28/406461428.db2.gz DALHYHMATHEDMN-WDEREUQCSA-N 1 0 313.385 2.334 10 0 DEAERO Cc1nnc(N2CC[NH+](CC3CC3)CC2)n1Cc1ccccc1 ZINC000549126953 406577016 /nfs/dbraw/zinc/57/70/16/406577016.db2.gz CNWDWFOIBPSODU-UHFFFAOYSA-N 1 0 311.433 2.167 10 0 DEAERO c1csc([C@H](C[NH2+]CCC[C@@H]2CCO2)N2CCOCC2)c1 ZINC000638295500 406678512 /nfs/dbraw/zinc/67/85/12/406678512.db2.gz YJZGGKYRHTUZRK-CABCVRRESA-N 1 0 310.463 2.280 10 0 DEAERO Cc1cc(CC[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)on1 ZINC000552098548 406682612 /nfs/dbraw/zinc/68/26/12/406682612.db2.gz HAAWKGTYPWIJFD-NSHDSACASA-N 1 0 301.346 2.207 10 0 DEAERO c1ccc(CN2CCO[C@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000638317227 406696011 /nfs/dbraw/zinc/69/60/11/406696011.db2.gz PVUAEDNVIJWCSD-QZTJIDSGSA-N 1 0 304.434 2.046 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cnc(C)cn3)[C@@H]2C1 ZINC000555625264 406849253 /nfs/dbraw/zinc/84/92/53/406849253.db2.gz DJHMVUCRBCMMCQ-HNKHHVNMSA-N 1 0 302.422 2.083 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cnc(C)cn3)[C@H]2C1 ZINC000555625266 406849288 /nfs/dbraw/zinc/84/92/88/406849288.db2.gz DJHMVUCRBCMMCQ-TUUVXOQKSA-N 1 0 302.422 2.083 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643616077 407017498 /nfs/dbraw/zinc/01/74/98/407017498.db2.gz ILTFPQVPXWOUPR-UHFFFAOYSA-N 1 0 304.434 2.441 10 0 DEAERO C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000262363009 296870341 /nfs/dbraw/zinc/87/03/41/296870341.db2.gz WRARHJYEHMIZPK-MWQQHZPXSA-N 1 0 302.418 2.350 10 0 DEAERO CCOc1cc(C)ccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000129152680 196023988 /nfs/dbraw/zinc/02/39/88/196023988.db2.gz IFVSSGJDCXVISP-HNNXBMFYSA-N 1 0 305.422 2.239 10 0 DEAERO COC(=O)[C@@H](C)Oc1ccc(Br)c(C[C@H](C)[NH3+])c1 ZINC000129362264 196042691 /nfs/dbraw/zinc/04/26/91/196042691.db2.gz BSJSYVKKIKMCNR-DTWKUNHWSA-N 1 0 316.195 2.279 10 0 DEAERO CCCn1cc(Br)cc1C(=O)NC[C@H](C)C[NH2+]C ZINC000129432609 196047346 /nfs/dbraw/zinc/04/73/46/196047346.db2.gz ALBNSGARTDUAHQ-SNVBAGLBSA-N 1 0 316.243 2.246 10 0 DEAERO C[C@H](CC[NH2+]C1CCN(Cc2ccccc2)CC1)[S@](C)=O ZINC000129456608 196050438 /nfs/dbraw/zinc/05/04/38/196050438.db2.gz OUSXSOBKBGKLII-QVKFZJNVSA-N 1 0 308.491 2.398 10 0 DEAERO CCOc1cccnc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129636610 196064444 /nfs/dbraw/zinc/06/44/44/196064444.db2.gz VIMOTRPCPPLOHQ-UHFFFAOYSA-N 1 0 305.422 2.331 10 0 DEAERO COCC[NH2+]C[C@H](C)Oc1ccc(OC)cc1Br ZINC000129647554 196065284 /nfs/dbraw/zinc/06/52/84/196065284.db2.gz LJKMACCTSYPFAZ-JTQLQIEISA-N 1 0 318.211 2.461 10 0 DEAERO [NH3+]Cc1cc(-c2nnc3ccc(Br)cn32)ccn1 ZINC000129690619 196068751 /nfs/dbraw/zinc/06/87/51/196068751.db2.gz OCBCMKXFOZDWFU-UHFFFAOYSA-N 1 0 304.151 2.013 10 0 DEAERO C[C@H](CC(=O)N[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000129704090 196069074 /nfs/dbraw/zinc/06/90/74/196069074.db2.gz ZQGAFCDGFRZZJQ-MFKMUULPSA-N 1 0 311.223 2.421 10 0 DEAERO COc1ccc(C(N)=[NH2+])cc1CN(C)Cc1scnc1C ZINC000130890181 196119357 /nfs/dbraw/zinc/11/93/57/196119357.db2.gz HXDVNSBZVHIOEZ-UHFFFAOYSA-N 1 0 304.419 2.376 10 0 DEAERO CC(C)C[C@@H](C)OC[C@H](O)C[NH2+]CC1(CO)CCCCC1 ZINC000130932117 196123586 /nfs/dbraw/zinc/12/35/86/196123586.db2.gz RFONRTUVBQXKAK-HZPDHXFCSA-N 1 0 301.471 2.331 10 0 DEAERO CS[C@@H](C)CCNS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000130938474 196124282 /nfs/dbraw/zinc/12/42/82/196124282.db2.gz FKXQUOWXKOKVIV-WDEREUQCSA-N 1 0 302.465 2.126 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130993781 196130878 /nfs/dbraw/zinc/13/08/78/196130878.db2.gz UKVYTNAGOYNKMN-KBPBESRZSA-N 1 0 300.443 2.240 10 0 DEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000131092052 196138266 /nfs/dbraw/zinc/13/82/66/196138266.db2.gz FRGJIULDPDJHIJ-HNNXBMFYSA-N 1 0 318.808 2.479 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])c1cc2c(s1)CCSC2 ZINC000131151007 196144298 /nfs/dbraw/zinc/14/42/98/196144298.db2.gz QSFQOSTUHOQDLJ-JTQLQIEISA-N 1 0 305.490 2.362 10 0 DEAERO CCO[C@H](C)CNS(=O)(=O)c1cccc([C@H](CC)[NH2+]C)c1 ZINC000131227988 196151747 /nfs/dbraw/zinc/15/17/47/196151747.db2.gz BKWUTQTWKNTELO-DOMZBBRYSA-N 1 0 314.451 2.060 10 0 DEAERO CCC[NH2+][C@H](Cc1cccc(F)c1F)[C@H](C)S(C)(=O)=O ZINC000131486247 196173170 /nfs/dbraw/zinc/17/31/70/196173170.db2.gz JOQGTAAHTHTIHB-GXFFZTMASA-N 1 0 305.390 2.309 10 0 DEAERO [NH3+]C[C@@H]1CCCN1C(=O)c1c(F)cc(Br)cc1F ZINC000131545186 196178411 /nfs/dbraw/zinc/17/84/11/196178411.db2.gz VKGMLYVYRQAFDB-QMMMGPOBSA-N 1 0 319.149 2.291 10 0 DEAERO C[C@H]([NH2+]CCNC(=O)N(C)C)c1cccc(Br)c1 ZINC000132092152 196225457 /nfs/dbraw/zinc/22/54/57/196225457.db2.gz RGRDISGQZHPUIS-JTQLQIEISA-N 1 0 314.227 2.371 10 0 DEAERO C[NH2+][C@H](c1ccc(OC2CC2)cc1)[C@@H]1CCCCS1(=O)=O ZINC000132195522 196234453 /nfs/dbraw/zinc/23/44/53/196234453.db2.gz AVNZUQJWXZBICF-JKSUJKDBSA-N 1 0 309.431 2.456 10 0 DEAERO C[NH2+][C@@H](c1ccc(OC2CC2)cc1)[C@H]1CCCCS1(=O)=O ZINC000132195724 196234597 /nfs/dbraw/zinc/23/45/97/196234597.db2.gz AVNZUQJWXZBICF-CVEARBPZSA-N 1 0 309.431 2.456 10 0 DEAERO Cc1ccc(C[NH2+]CCNC(=O)N(C)C)c(Br)c1 ZINC000132342438 196247400 /nfs/dbraw/zinc/24/74/00/196247400.db2.gz IONREBPCQUESRD-UHFFFAOYSA-N 1 0 314.227 2.118 10 0 DEAERO CC[NH2+]Cc1nnnn1-c1ccc(Cl)cc1Br ZINC000132214956 196235859 /nfs/dbraw/zinc/23/58/59/196235859.db2.gz AKGBCIBJTMDLNJ-UHFFFAOYSA-N 1 0 316.590 2.188 10 0 DEAERO CN(C(=O)c1sc2cccnc2c1N)[C@@H]1CCC[N@H+](C)C1 ZINC000132258241 196239951 /nfs/dbraw/zinc/23/99/51/196239951.db2.gz QFAPZZFVWNMLMO-SNVBAGLBSA-N 1 0 304.419 2.045 10 0 DEAERO CC[NH2+][C@H](c1ccnc(C)n1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000132429563 196254934 /nfs/dbraw/zinc/25/49/34/196254934.db2.gz WIBYFNWVUQFFHN-IPYPFGDCSA-N 1 0 311.451 2.039 10 0 DEAERO O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000132580923 196267191 /nfs/dbraw/zinc/26/71/91/196267191.db2.gz WJQHRHRWXPNKGG-HOTGVXAUSA-N 1 0 322.449 2.454 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](COCc2ccccc2Br)O1 ZINC000132651970 196273375 /nfs/dbraw/zinc/27/33/75/196273375.db2.gz ONRYMLJRROIMAD-CMPLNLGQSA-N 1 0 300.196 2.343 10 0 DEAERO CCCn1ncc(Br)c1[C@]1(O)CCC[C@H]([NH3+])C1 ZINC000132886687 196293857 /nfs/dbraw/zinc/29/38/57/196293857.db2.gz DPVVCSRVTRQBPK-CABZTGNLSA-N 1 0 302.216 2.145 10 0 DEAERO COc1ccc(Br)cc1C[C@H](O)[C@H]1CCC[NH2+]C1 ZINC000133044317 196307316 /nfs/dbraw/zinc/30/73/16/196307316.db2.gz YBPUOVLEDDRORG-GWCFXTLKSA-N 1 0 314.223 2.361 10 0 DEAERO C[C@@](CO)([NH2+]C[C@@H](O)COCc1ccccc1)C1CCCCC1 ZINC000133024208 196305437 /nfs/dbraw/zinc/30/54/37/196305437.db2.gz BZSDQOOHYONRLK-MOPGFXCFSA-N 1 0 321.461 2.485 10 0 DEAERO O[C@@H](Cc1cc(Br)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000133076420 196309770 /nfs/dbraw/zinc/30/97/70/196309770.db2.gz GGKBZFHHOLLZLG-ZANVPECISA-N 1 0 302.187 2.491 10 0 DEAERO CCOC(=O)c1csc(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000133141446 196314804 /nfs/dbraw/zinc/31/48/04/196314804.db2.gz NRFUEHVRKYDQQS-LBPRGKRZSA-N 1 0 309.435 2.384 10 0 DEAERO CC[C@H](CSC)NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000133233731 196323764 /nfs/dbraw/zinc/32/37/64/196323764.db2.gz XDPPHTBLPOZZPH-CMPLNLGQSA-N 1 0 302.465 2.126 10 0 DEAERO CC[C@H](C(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1)[NH+](C)C ZINC000133823141 196338905 /nfs/dbraw/zinc/33/89/05/196338905.db2.gz PPAMIYXMMYHEID-CXAGYDPISA-N 1 0 320.433 2.360 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNc2cnn(CC(C)C)c(=O)c2Cl)C1 ZINC000133852766 196340759 /nfs/dbraw/zinc/34/07/59/196340759.db2.gz KAAKBGMFCYEKKK-LBPRGKRZSA-N 1 0 312.845 2.306 10 0 DEAERO COCCn1ncc(Cl)c1[C@@H]([NH3+])c1ccc(F)c(OC)c1 ZINC000133962975 196349399 /nfs/dbraw/zinc/34/93/99/196349399.db2.gz DWKBYLBQULJEDB-ZDUSSCGKSA-N 1 0 313.760 2.379 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)CCOC)c1cc(C)cc(C)c1 ZINC000133959309 196349927 /nfs/dbraw/zinc/34/99/27/196349927.db2.gz ZTUVQESJFRWVOM-MRXNPFEDSA-N 1 0 313.463 2.405 10 0 DEAERO Cc1ccc(OCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000134010455 196353095 /nfs/dbraw/zinc/35/30/95/196353095.db2.gz UBKIZCCZDTWFGV-XIRDDKMYSA-N 1 0 302.418 2.411 10 0 DEAERO CC[C@](C)(C(=O)c1c(Cl)cnn1CC[NH+](C)C)N(C)C ZINC000134100714 196361643 /nfs/dbraw/zinc/36/16/43/196361643.db2.gz CWZVDHFIFNXXCI-CQSZACIVSA-N 1 0 300.834 2.011 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1F)CS(C)(=O)=O ZINC000134208988 196370681 /nfs/dbraw/zinc/37/06/81/196370681.db2.gz RBVAIEGLWLEXDE-LBPRGKRZSA-N 1 0 307.818 2.434 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1F)[C@H](C)S(C)(=O)=O ZINC000134214368 196371287 /nfs/dbraw/zinc/37/12/87/196371287.db2.gz JUNGLHZLKAIRTN-TVQRCGJNSA-N 1 0 307.818 2.433 10 0 DEAERO C[N@@H+]1CCC[C@H](Nc2cc(NS(C)(=O)=O)ccc2Cl)C1 ZINC000134258386 196374752 /nfs/dbraw/zinc/37/47/52/196374752.db2.gz VXZIRPAYFBMFFU-NSHDSACASA-N 1 0 317.842 2.218 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)C[C@@H](C)OC ZINC000134459885 196392676 /nfs/dbraw/zinc/39/26/76/196392676.db2.gz CWXKAIMMKKIOOQ-PSASIEDQSA-N 1 0 304.232 2.047 10 0 DEAERO C[C@H]([NH3+])CCC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000193260546 298952363 /nfs/dbraw/zinc/95/23/63/298952363.db2.gz MXEWUWJMELEZHC-ZETCQYMHSA-N 1 0 306.250 2.457 10 0 DEAERO COC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)C1CCOCC1 ZINC000187935972 225003610 /nfs/dbraw/zinc/00/36/10/225003610.db2.gz LETBVASITJVKGQ-CQSZACIVSA-N 1 0 311.426 2.157 10 0 DEAERO Cc1cccc2nc(C3CCN(C(=O)N[C@H](C)C[NH3+])CC3)oc21 ZINC000418509117 229372478 /nfs/dbraw/zinc/37/24/78/229372478.db2.gz FTXOJAMITPXANZ-GFCCVEGCSA-N 1 0 316.405 2.372 10 0 DEAERO c1ccc2nc(CC[NH2+][C@H](C3CC3)[C@H]3CNCCO3)ccc2c1 ZINC000422792514 230211426 /nfs/dbraw/zinc/21/14/26/230211426.db2.gz ZIRYUDVRUIOMPB-RTBURBONSA-N 1 0 311.429 2.134 10 0 DEAERO c1ccc2nc(CC[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)ccc2c1 ZINC000422792511 230211960 /nfs/dbraw/zinc/21/19/60/230211960.db2.gz ZIRYUDVRUIOMPB-RBUKOAKNSA-N 1 0 311.429 2.134 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(C)on2)CC1 ZINC000045905581 424819203 /nfs/dbraw/zinc/81/92/03/424819203.db2.gz ZVYDFZRVBWUENM-UHFFFAOYSA-N 1 0 314.389 2.377 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])s1 ZINC000070177306 424841739 /nfs/dbraw/zinc/84/17/39/424841739.db2.gz CCGAQJPDYLABAR-JQWIXIFHSA-N 1 0 302.465 2.058 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2c(C)cccc2C)c1 ZINC000105881493 424849722 /nfs/dbraw/zinc/84/97/22/424849722.db2.gz UKURSBFBWMONIQ-OAHLLOKOSA-N 1 0 300.406 2.425 10 0 DEAERO C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000216445519 424884885 /nfs/dbraw/zinc/88/48/85/424884885.db2.gz VJMHYOYRRABBHL-IRUJWGPZSA-N 1 0 300.196 2.187 10 0 DEAERO O=C(CCc1ccccc1O)NC1CC[NH+](CC2CC2)CC1 ZINC000194229588 424875098 /nfs/dbraw/zinc/87/50/98/424875098.db2.gz FGQGHTHCGOKATI-UHFFFAOYSA-N 1 0 302.418 2.315 10 0 DEAERO Cn1cc(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000153798435 424859797 /nfs/dbraw/zinc/85/97/97/424859797.db2.gz YNJDFPAKPLPJPK-SFHVURJKSA-N 1 0 312.417 2.205 10 0 DEAERO COCC1(C[NH2+]Cc2nn(C)cc2Br)CCC1 ZINC000393317066 424919612 /nfs/dbraw/zinc/91/96/12/424919612.db2.gz WFRILKXFIAYSGV-UHFFFAOYSA-N 1 0 302.216 2.089 10 0 DEAERO C[C@@H]1C[C@@H](C)N(C(=O)c2coc(Br)c2)C[C@H]1C[NH3+] ZINC000397250219 424921092 /nfs/dbraw/zinc/92/10/92/424921092.db2.gz DCCSXZDCYKMVAB-FXPVBKGRSA-N 1 0 315.211 2.488 10 0 DEAERO N#Cc1cnnc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000396979815 424921437 /nfs/dbraw/zinc/92/14/37/424921437.db2.gz IOZOYHPNGYYTGX-KRWDZBQOSA-N 1 0 307.401 2.815 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000396669900 424921482 /nfs/dbraw/zinc/92/14/82/424921482.db2.gz FPCMHXKDUHHZQX-VIFPVBQESA-N 1 0 301.184 2.175 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000405269390 424930626 /nfs/dbraw/zinc/93/06/26/424930626.db2.gz QYVHACAQJCIDLP-WCQYABFASA-N 1 0 316.492 2.449 10 0 DEAERO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1nscc1Br ZINC000404958997 424930627 /nfs/dbraw/zinc/93/06/27/424930627.db2.gz UGPOQSXDAIANFF-QMMMGPOBSA-N 1 0 318.240 2.024 10 0 DEAERO O[C@@H]1C[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CC[N@@H+]2C1 ZINC000405329059 424931243 /nfs/dbraw/zinc/93/12/43/424931243.db2.gz VVIJQSWNMLVIDH-NWDGAFQWSA-N 1 0 301.217 2.244 10 0 DEAERO Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1 ZINC000249564190 424887470 /nfs/dbraw/zinc/88/74/70/424887470.db2.gz MOSFBQCTWZJDMI-JFIYKMOQSA-N 1 0 307.434 2.218 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@](C)(O)C2CC2)C1 ZINC000309809546 424893667 /nfs/dbraw/zinc/89/36/67/424893667.db2.gz VYPGPPXFHBINKL-DYVFJYSZSA-N 1 0 312.454 2.384 10 0 DEAERO C[NH+](C)CCn1cc(Nc2ccnc(-c3ccccc3)n2)cn1 ZINC000591018033 424999892 /nfs/dbraw/zinc/99/98/92/424999892.db2.gz VGWBDMPRQMFLPU-UHFFFAOYSA-N 1 0 308.389 2.645 10 0 DEAERO C[NH+](C)CC(C)(C)NC(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000455296787 425096963 /nfs/dbraw/zinc/09/69/63/425096963.db2.gz CZCPODSWSVGECS-UHFFFAOYSA-N 1 0 308.426 2.968 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2ccc(N)nc2)C1 ZINC000616621570 425098434 /nfs/dbraw/zinc/09/84/34/425098434.db2.gz SQBLJNOQMCPUPO-AWEZNQCLSA-N 1 0 320.437 2.368 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)CC1=O ZINC000657696196 425386878 /nfs/dbraw/zinc/38/68/78/425386878.db2.gz FTBAQHCTGFPAEL-SNVBAGLBSA-N 1 0 315.186 2.156 10 0 DEAERO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1Br ZINC000657694322 425387537 /nfs/dbraw/zinc/38/75/37/425387537.db2.gz CRNIBEGZVQFHAR-LBPRGKRZSA-N 1 0 311.223 2.325 10 0 DEAERO CCc1cc(NC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC)ccc1C ZINC000180598795 267601895 /nfs/dbraw/zinc/60/18/95/267601895.db2.gz VOUCEKAFLVMRJY-AWEZNQCLSA-N 1 0 319.449 2.342 10 0 DEAERO CCCC[C@@H](CC)CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000192803947 267744839 /nfs/dbraw/zinc/74/48/39/267744839.db2.gz ZFLUPXFLMJVLKC-CVEARBPZSA-N 1 0 313.486 2.349 10 0 DEAERO C[C@@H](O)CCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227954085 268579099 /nfs/dbraw/zinc/57/90/99/268579099.db2.gz VLHOKOHEBUNHJM-ZIAGYGMSSA-N 1 0 300.443 2.384 10 0 DEAERO C[C@@H]1CC(CNC(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@@H](C)O1 ZINC000333593904 268959072 /nfs/dbraw/zinc/95/90/72/268959072.db2.gz OSRYPCBXFVGIPV-ZIAGYGMSSA-N 1 0 323.481 2.364 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(Br)c2F)C1 ZINC000390015308 269097312 /nfs/dbraw/zinc/09/73/12/269097312.db2.gz UQEMPCUBVKGEGY-VIFPVBQESA-N 1 0 315.186 2.412 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCCOCc1ccccc1 ZINC000390779845 269097852 /nfs/dbraw/zinc/09/78/52/269097852.db2.gz QCRJBZSVKAQVON-RDJZCZTQSA-N 1 0 304.434 2.488 10 0 DEAERO CCN1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CC1=O ZINC000391551086 269098375 /nfs/dbraw/zinc/09/83/75/269098375.db2.gz RSPSFIBNXLBHMJ-SNVBAGLBSA-N 1 0 315.186 2.299 10 0 DEAERO CN(C)C1(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000397908764 269107522 /nfs/dbraw/zinc/10/75/22/269107522.db2.gz XFCFSGFPCMXVQB-AWEZNQCLSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@@H]([NH2+]Cc1ncccn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496070838 269198336 /nfs/dbraw/zinc/19/83/36/269198336.db2.gz WDKGVFHDVSCYAA-OLZOCXBDSA-N 1 0 306.410 2.212 10 0 DEAERO CC(C)[C@@](C)(O)C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000184940118 273551216 /nfs/dbraw/zinc/55/12/16/273551216.db2.gz GERYCXRNALHNLC-SFHVURJKSA-N 1 0 317.433 2.374 10 0 DEAERO COCCN1CCC[N@@H+]([C@H](C)CCc2ccccc2)CC1=O ZINC000190799167 274026710 /nfs/dbraw/zinc/02/67/10/274026710.db2.gz VSVCFHDHWRKZIH-MRXNPFEDSA-N 1 0 304.434 2.188 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2ccccc2Cl)c1 ZINC000105881392 274830327 /nfs/dbraw/zinc/83/03/27/274830327.db2.gz XPLDTXMGXHFKDV-GFCCVEGCSA-N 1 0 306.797 2.462 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038050730 274940062 /nfs/dbraw/zinc/94/00/62/274940062.db2.gz FCABQKMCBDHWQF-CMPLNLGQSA-N 1 0 301.312 2.486 10 0 DEAERO O=C([C@H]1CCCn2ccnc21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000081795642 275008415 /nfs/dbraw/zinc/00/84/15/275008415.db2.gz LUDPEEUTIXHMMS-INIZCTEOSA-N 1 0 316.449 2.237 10 0 DEAERO OCC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CCC1 ZINC000439297405 275046602 /nfs/dbraw/zinc/04/66/02/275046602.db2.gz RPJHISISXRFTJH-AWEZNQCLSA-N 1 0 317.351 2.456 10 0 DEAERO O[C@@H](C[N@@H+]1CCC[C@H](n2cncn2)C1)c1ccc(Cl)cc1 ZINC000171618745 275051329 /nfs/dbraw/zinc/05/13/29/275051329.db2.gz DIUJGIYUAMKCIT-GJZGRUSLSA-N 1 0 306.797 2.302 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000177943981 275625996 /nfs/dbraw/zinc/62/59/96/275625996.db2.gz KGRVNEDAJVIWBY-SJLPKXTDSA-N 1 0 308.466 2.260 10 0 DEAERO CC(C)c1ccc(NC(=O)CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000262429691 276054697 /nfs/dbraw/zinc/05/46/97/276054697.db2.gz FSJKYDGTSOCKPH-HZPDHXFCSA-N 1 0 301.434 2.290 10 0 DEAERO CCOC[C@H]1CCCN(C(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000358196119 276333758 /nfs/dbraw/zinc/33/37/58/276333758.db2.gz MZZDTXYTKSBITO-INIZCTEOSA-N 1 0 309.454 2.097 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCOC2(CCCCC2)C1 ZINC000173831622 276338834 /nfs/dbraw/zinc/33/88/34/276338834.db2.gz WKSGEBHXIPCNLK-OAHLLOKOSA-N 1 0 311.470 2.461 10 0 DEAERO CCN(CC)[C@H](C[NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000123710157 276340454 /nfs/dbraw/zinc/34/04/54/276340454.db2.gz PSHLGZAKWLVOBZ-QGZVFWFLSA-N 1 0 318.465 2.202 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2ccc3c(c2)CC(C)(C)O3)CCO1 ZINC000128119526 276766588 /nfs/dbraw/zinc/76/65/88/276766588.db2.gz YXLPWMRXXZMKHY-MRXNPFEDSA-N 1 0 304.434 2.163 10 0 DEAERO CC(=O)N[C@H](CC(=O)N[C@@](C)(C[NH3+])CC(C)C)c1ccccc1 ZINC000236685773 277054247 /nfs/dbraw/zinc/05/42/47/277054247.db2.gz HCAASSFVPDWKFX-SJLPKXTDSA-N 1 0 319.449 2.134 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000177106092 277079051 /nfs/dbraw/zinc/07/90/51/277079051.db2.gz HVRNDMZGZOFSRI-MLGOLLRUSA-N 1 0 316.405 2.345 10 0 DEAERO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105923026 278134247 /nfs/dbraw/zinc/13/42/47/278134247.db2.gz QHBVMMDQKAKXQL-ZBFHGGJFSA-N 1 0 319.453 2.095 10 0 DEAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000246641221 278258301 /nfs/dbraw/zinc/25/83/01/278258301.db2.gz ULTAHWAQDVDHET-RDBSUJKOSA-N 1 0 304.438 2.066 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1nc2c(s1)CCCC2 ZINC000180585176 278376596 /nfs/dbraw/zinc/37/65/96/278376596.db2.gz ZBRXINKZFLCWPL-GHMZBOCLSA-N 1 0 303.435 2.279 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc2c(c1)OCCCO2 ZINC000132990498 278380760 /nfs/dbraw/zinc/38/07/60/278380760.db2.gz YRKZEUYXURBFRN-OCCSQVGLSA-N 1 0 304.390 2.119 10 0 DEAERO C[C@@H]1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)[C@@H](C[NH3+])C1 ZINC000261754160 278537210 /nfs/dbraw/zinc/53/72/10/278537210.db2.gz JHEWFPMPUQFFKN-OSAQELSMSA-N 1 0 322.836 2.477 10 0 DEAERO C[C@@H]1CCN(C(=O)c2ncccc2Br)[C@@H](C[NH3+])C1 ZINC000231770430 278544282 /nfs/dbraw/zinc/54/42/82/278544282.db2.gz CAMLFVBASJOGQR-NXEZZACHSA-N 1 0 312.211 2.044 10 0 DEAERO CC(C)C[C@H](C)[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000451033223 279102962 /nfs/dbraw/zinc/10/29/62/279102962.db2.gz ATYBAHLETMZYHD-KBPBESRZSA-N 1 0 302.484 2.215 10 0 DEAERO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000262899374 279104620 /nfs/dbraw/zinc/10/46/20/279104620.db2.gz XMVBMYSYJZEQLN-WDEREUQCSA-N 1 0 306.793 2.325 10 0 DEAERO Cc1nc2c(s1)[C@@H](NC[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000151318986 279117084 /nfs/dbraw/zinc/11/70/84/279117084.db2.gz ZOMGULAINGDENM-KBPBESRZSA-N 1 0 309.479 2.265 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)c1ccncc1OC ZINC000189954478 279144422 /nfs/dbraw/zinc/14/44/22/279144422.db2.gz BZDSEEYNKXOWMS-STQMWFEESA-N 1 0 308.426 2.181 10 0 DEAERO C[C@@](C[NH3+])(NS(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000130335546 279149035 /nfs/dbraw/zinc/14/90/35/279149035.db2.gz JPDFGLIVHYSIDF-LBPRGKRZSA-N 1 0 323.245 2.399 10 0 DEAERO CC[N@@H+]1CCCN(C(=O)c2ccc3c(c2)NC(=O)C3(C)C)CC1 ZINC000294126233 279289751 /nfs/dbraw/zinc/28/97/51/279289751.db2.gz PIUAFGSBARCPAK-UHFFFAOYSA-N 1 0 315.417 2.084 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCOC[C@@H]2c2ccc(C)o2)C1 ZINC000117037466 279319143 /nfs/dbraw/zinc/31/91/43/279319143.db2.gz ULNSNXMAGZRBLF-LSDHHAIUSA-N 1 0 321.421 2.155 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000177697593 279327090 /nfs/dbraw/zinc/32/70/90/279327090.db2.gz ROODHZIUXKTSGE-YOEHRIQHSA-N 1 0 307.482 2.192 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091344114 279502681 /nfs/dbraw/zinc/50/26/81/279502681.db2.gz RXCRBYVECSSJNF-CMPLNLGQSA-N 1 0 320.824 2.498 10 0 DEAERO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1Cl ZINC000183141967 280230215 /nfs/dbraw/zinc/23/02/15/280230215.db2.gz LRTKIWCBJOFKNY-SECBINFHSA-N 1 0 323.245 2.332 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000245681490 280363023 /nfs/dbraw/zinc/36/30/23/280363023.db2.gz VJQGXCFAPMPSKQ-IKGGRYGDSA-N 1 0 317.433 2.252 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@H](C)COC)CC[N@@H+]1Cc1ccccc1 ZINC000248425916 280374299 /nfs/dbraw/zinc/37/42/99/280374299.db2.gz KAFKZQNKGVPLCU-NVXWUHKLSA-N 1 0 304.434 2.392 10 0 DEAERO CC[C@H]1CN(C(=O)N[C@@H]2CCCC2(C)C)CC[N@@H+]1CCOC ZINC000174976190 281137432 /nfs/dbraw/zinc/13/74/32/281137432.db2.gz YCOUIABGNBFIEF-LSDHHAIUSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000247496113 288307794 /nfs/dbraw/zinc/30/77/94/288307794.db2.gz UQNYMMQLXAHDFE-JDOFQRQTSA-N 1 0 304.434 2.077 10 0 DEAERO CC1(C)CN([C@H]2CCCN(c3ccccc3)C2=O)CC[C@H]1[NH3+] ZINC000261601173 281264649 /nfs/dbraw/zinc/26/46/49/281264649.db2.gz AEDVDHPRFINCTH-JKSUJKDBSA-N 1 0 301.434 2.241 10 0 DEAERO CC1(C)CCCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000073676524 281544872 /nfs/dbraw/zinc/54/48/72/281544872.db2.gz WCJPJKXCBMZMLY-UHFFFAOYSA-N 1 0 311.470 2.321 10 0 DEAERO C[NH+](C)C[C@H]1CCN(C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000129339017 281909432 /nfs/dbraw/zinc/90/94/32/281909432.db2.gz WDKSCRMNEAQYHY-XXXXFFMBSA-N 1 0 305.466 2.404 10 0 DEAERO CCc1noc(CC)c1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132967968 282004231 /nfs/dbraw/zinc/00/42/31/282004231.db2.gz GLCWCLLBBMGVEU-OLZOCXBDSA-N 1 0 322.453 2.424 10 0 DEAERO COc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000133534968 282018266 /nfs/dbraw/zinc/01/82/66/282018266.db2.gz HWWAVDMSBUQKQK-OAHLLOKOSA-N 1 0 320.437 2.010 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000134378451 282040556 /nfs/dbraw/zinc/04/05/56/282040556.db2.gz ASYPACRTEBGWMB-INIZCTEOSA-N 1 0 306.450 2.374 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)CN2CCC([NH+](C)C)CC2)c1C ZINC000134983600 282057586 /nfs/dbraw/zinc/05/75/86/282057586.db2.gz IAPNASANBCHFRK-UHFFFAOYSA-N 1 0 305.422 2.043 10 0 DEAERO CN(C(=O)CC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000135084842 282061243 /nfs/dbraw/zinc/06/12/43/282061243.db2.gz NCJVVACLKHCGAZ-OAHLLOKOSA-N 1 0 312.417 2.263 10 0 DEAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000056194651 290492911 /nfs/dbraw/zinc/49/29/11/290492911.db2.gz QDUDWKXYAXRQKY-VXGBXAGGSA-N 1 0 305.422 2.479 10 0 DEAERO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000364311350 293714765 /nfs/dbraw/zinc/71/47/65/293714765.db2.gz AZHUWLGVHVXEAB-BFHYXJOUSA-N 1 0 313.394 2.201 10 0 DEAERO NC(=O)c1csc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000092785848 295195818 /nfs/dbraw/zinc/19/58/18/295195818.db2.gz SPLZRGGCXDYYLN-CQSZACIVSA-N 1 0 307.463 2.297 10 0 DEAERO [NH3+][C@H](C(=O)NCC12CC3CC(CC(C3)C1)C2)C1CCOCC1 ZINC000261887422 295328666 /nfs/dbraw/zinc/32/86/66/295328666.db2.gz VDXOSBHOMLYCPO-IEKYFPHUSA-N 1 0 306.450 2.073 10 0 DEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H](C)C[C@H]1n1cncn1 ZINC000280715950 302675633 /nfs/dbraw/zinc/67/56/33/302675633.db2.gz BQTAJICGSSENBG-REBRKWNGSA-N 1 0 315.425 2.032 10 0 DEAERO c1ccc(-n2nnnc2CC[N@@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000574925403 326201798 /nfs/dbraw/zinc/20/17/98/326201798.db2.gz ZTZMOCVTGWZSBP-INIZCTEOSA-N 1 0 320.400 2.089 10 0 DEAERO COC[C@@H](C)C[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000187158130 332958452 /nfs/dbraw/zinc/95/84/52/332958452.db2.gz UHQPWSWUNZNWJG-LBPRGKRZSA-N 1 0 312.360 2.005 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000187571803 332976155 /nfs/dbraw/zinc/97/61/55/332976155.db2.gz RMSVAXLCNYOTEU-CHWSQXEVSA-N 1 0 307.438 2.456 10 0 DEAERO COC[C@H](C)C[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000188231770 333039615 /nfs/dbraw/zinc/03/96/15/333039615.db2.gz XSLGRNHPQHHHGD-QMTHXVAHSA-N 1 0 314.788 2.457 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1coc(Br)c1)C1CCCC1 ZINC000378924064 333064476 /nfs/dbraw/zinc/06/44/76/333064476.db2.gz QVSVZLGMIHORBC-SNVBAGLBSA-N 1 0 301.184 2.289 10 0 DEAERO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)COCc1ccccc1 ZINC000390223335 336935580 /nfs/dbraw/zinc/93/55/80/336935580.db2.gz ZZSIQANYONHWOS-DOTOQJQBSA-N 1 0 304.434 2.345 10 0 DEAERO CC(C)OCC[C@H](O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000582444332 337004163 /nfs/dbraw/zinc/00/41/63/337004163.db2.gz ZUKTXUVEDUZRNY-AWEZNQCLSA-N 1 0 307.390 2.036 10 0 DEAERO CC(=O)[C@](C)(O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000582587056 337110188 /nfs/dbraw/zinc/11/01/88/337110188.db2.gz UPVCVXHKDJHFET-QGZVFWFLSA-N 1 0 301.390 2.082 10 0 DEAERO c1nc(N2CCCCC2)cc(N2CCO[C@]3(CCSC3)C2)n1 ZINC000583749907 337329144 /nfs/dbraw/zinc/32/91/44/337329144.db2.gz OMUDXJNPBPUHLE-MRXNPFEDSA-N 1 0 320.462 2.179 10 0 DEAERO Brc1cnn([C@H]2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000584607515 337371845 /nfs/dbraw/zinc/37/18/45/337371845.db2.gz ZEJUTOOFOUEEGZ-OLZOCXBDSA-N 1 0 314.227 2.462 10 0 DEAERO C/C=C/C=C/COC[C@@H](O)C[NH2+]CCOc1ccccc1OC ZINC000584627796 337376118 /nfs/dbraw/zinc/37/61/18/337376118.db2.gz CWVMUVPLVDOCNW-UHMLGTDTSA-N 1 0 321.417 2.173 10 0 DEAERO [NH3+]C[C@H](Cc1ccc(F)cc1)N1CCC(O)(C(F)(F)F)CC1 ZINC000584636957 337379342 /nfs/dbraw/zinc/37/93/42/337379342.db2.gz KSKYAMXNHGGARZ-ZDUSSCGKSA-N 1 0 320.330 2.085 10 0 DEAERO [NH3+]C[C@H](Cc1ccccc1F)N1CCC(O)(C(F)(F)F)CC1 ZINC000584636976 337379424 /nfs/dbraw/zinc/37/94/24/337379424.db2.gz PCOPLKHBCBXRSK-LBPRGKRZSA-N 1 0 320.330 2.085 10 0 DEAERO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCOC1 ZINC000171614375 500612324 /nfs/dbraw/zinc/61/23/24/500612324.db2.gz VRHYFYAQAXWHRR-MRXNPFEDSA-N 1 0 323.412 2.078 10 0 DEAERO C[C@H]1C[NH+](CCC(=O)N2CCc3ccccc3C2)C[C@H](C)O1 ZINC000188935042 533923059 /nfs/dbraw/zinc/92/30/59/533923059.db2.gz CKNVIJLHUJBKRS-GJZGRUSLSA-N 1 0 302.418 2.071 10 0 DEAERO Cc1cc(C)n2c(CN(C)CC3([NH+](C)C)CCC3)cnc2n1 ZINC000189002917 534125641 /nfs/dbraw/zinc/12/56/41/534125641.db2.gz XOFAJJYMNQMJIW-UHFFFAOYSA-N 1 0 301.438 2.262 10 0 DEAERO CCC[NH2+]Cc1csc(N(CCCOC)CCOC)n1 ZINC000079945416 517589396 /nfs/dbraw/zinc/58/93/96/517589396.db2.gz GPSUROJWFLBERE-UHFFFAOYSA-N 1 0 301.456 2.132 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(n2ccnc2)CC1 ZINC000103307202 519775127 /nfs/dbraw/zinc/77/51/27/519775127.db2.gz YPPYBDZCORBIQF-HNNXBMFYSA-N 1 0 321.469 2.206 10 0 DEAERO CCOCC[C@@H](O)C[NH+]1CCC(c2ccccc2CO)CC1 ZINC000365190154 520064298 /nfs/dbraw/zinc/06/42/98/520064298.db2.gz BOKCZXONOIOXBY-QGZVFWFLSA-N 1 0 307.434 2.146 10 0 DEAERO CCC[C@@H](C(=O)Nc1cccc(-c2nnnn2CC)c1)[NH+](C)C ZINC000162228440 520599000 /nfs/dbraw/zinc/59/90/00/520599000.db2.gz QSTSULQWYTXDLX-AWEZNQCLSA-N 1 0 316.409 2.029 10 0 DEAERO CCC[N@@H+](Cc1cc(=O)n2ccccc2n1)C[C@@H]1CCCCO1 ZINC000106866350 521681429 /nfs/dbraw/zinc/68/14/29/521681429.db2.gz GSLDVTHITGPTQV-INIZCTEOSA-N 1 0 315.417 2.476 10 0 DEAERO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CCCC[C@H]1O ZINC000245538185 522501357 /nfs/dbraw/zinc/50/13/57/522501357.db2.gz GWBBWGJGEUUUPJ-XHDPSFHLSA-N 1 0 312.360 2.386 10 0 DEAERO CCc1noc(C)c1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000156692660 522860850 /nfs/dbraw/zinc/86/08/50/522860850.db2.gz FPYADWXIHLGCSF-UHFFFAOYSA-N 1 0 304.394 2.414 10 0 DEAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157608389 523346992 /nfs/dbraw/zinc/34/69/92/523346992.db2.gz PUEPZOLLLWQKBL-GXTWGEPZSA-N 1 0 324.469 2.138 10 0 DEAERO C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)N1CCc2sccc2C1 ZINC000246194753 524451031 /nfs/dbraw/zinc/45/10/31/524451031.db2.gz DMZBMJHVDZDNBG-VNHYZAJKSA-N 1 0 321.490 2.128 10 0 DEAERO Cc1cc(C)n(Cc2ccc(C(=O)N3CCC([NH3+])CC3)cc2)n1 ZINC000237660040 524538129 /nfs/dbraw/zinc/53/81/29/524538129.db2.gz SDMMLWHXOGKHMF-UHFFFAOYSA-N 1 0 312.417 2.112 10 0 DEAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCCO1 ZINC000152762532 525530278 /nfs/dbraw/zinc/53/02/78/525530278.db2.gz JDFUVMVHZWOLIP-GVXVVHGQSA-N 1 0 312.360 2.299 10 0 DEAERO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)cnn1Cc1ccccc1 ZINC000170866189 525591936 /nfs/dbraw/zinc/59/19/36/525591936.db2.gz NNGNTTCCVOTDBN-INIZCTEOSA-N 1 0 312.417 2.016 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000247507183 534893823 /nfs/dbraw/zinc/89/38/23/534893823.db2.gz YBUSDHHVQCZTEV-CXAGYDPISA-N 1 0 318.417 2.113 10 0 DEAERO C/C=C/C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C(=O)OCC ZINC000444309628 526294788 /nfs/dbraw/zinc/29/47/88/526294788.db2.gz AQZXKOYQBULULT-GHJCOAFMSA-N 1 0 310.438 2.262 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncnc2c1ncn2C1CC1 ZINC000292783317 527901263 /nfs/dbraw/zinc/90/12/63/527901263.db2.gz PYUQUZPDTZDXQB-KGLIPLIRSA-N 1 0 312.421 2.224 10 0 DEAERO CC(C)C[C@H](C)[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000435746274 528474375 /nfs/dbraw/zinc/47/43/75/528474375.db2.gz VUAKMTAZCYZXDQ-ZDUSSCGKSA-N 1 0 316.442 2.470 10 0 DEAERO CC[N@H+](CCNS(=O)(=O)c1ccc(F)cc1C)C(C)C ZINC000444162376 528511940 /nfs/dbraw/zinc/51/19/40/528511940.db2.gz AFDOUNJFJDZDKJ-UHFFFAOYSA-N 1 0 302.415 2.143 10 0 DEAERO CCCCOc1ccc(CN2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000190238107 528671473 /nfs/dbraw/zinc/67/14/73/528671473.db2.gz IKWMZGVZOSXOLS-MRXNPFEDSA-N 1 0 306.450 2.364 10 0 DEAERO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc2ccccc2c1 ZINC000299765158 529147181 /nfs/dbraw/zinc/14/71/81/529147181.db2.gz XLIKFQOSARPQMV-ROUUACIJSA-N 1 0 311.429 2.266 10 0 DEAERO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCCc1cn[nH]c1 ZINC000360289977 535026847 /nfs/dbraw/zinc/02/68/47/535026847.db2.gz OFEYDNDHXVSAHS-UHFFFAOYSA-N 1 0 321.469 2.296 10 0 DEAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2COc3ccccc32)C1 ZINC000247361115 535131355 /nfs/dbraw/zinc/13/13/55/535131355.db2.gz OOBFOOUYWJTVCH-HOCLYGCPSA-N 1 0 317.433 2.397 10 0 DEAERO CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCOCC3)n2)CCO1 ZINC000359101408 535265044 /nfs/dbraw/zinc/26/50/44/535265044.db2.gz IDNGALDXFPBPNC-NVXWUHKLSA-N 1 0 319.449 2.211 10 0 DEAERO CCOc1ccccc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261617691 535522125 /nfs/dbraw/zinc/52/21/25/535522125.db2.gz AKSKLNZUNTVFCX-YIONKMFJSA-N 1 0 317.433 2.239 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000332702900 535532425 /nfs/dbraw/zinc/53/24/25/535532425.db2.gz UDHGLTBZRNPWDR-HUUCEWRRSA-N 1 0 309.454 2.119 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@](C)(CO)C2CCCCC2)C1 ZINC000120201994 535575926 /nfs/dbraw/zinc/57/59/26/535575926.db2.gz ANIVHSATGJOUDB-RDJZCZTQSA-N 1 0 311.470 2.101 10 0 DEAERO CCCn1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000180955348 535598002 /nfs/dbraw/zinc/59/80/02/535598002.db2.gz MBDGMLUYMBGAOA-MRXNPFEDSA-N 1 0 304.438 2.384 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000249915152 535644063 /nfs/dbraw/zinc/64/40/63/535644063.db2.gz XFQIJBPUODVFGX-GUTXKFCHSA-N 1 0 322.453 2.326 10 0 DEAERO CC[C@@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1nccs1 ZINC000262746857 535801152 /nfs/dbraw/zinc/80/11/52/535801152.db2.gz JYKZJYPNRWQOCS-NWDGAFQWSA-N 1 0 319.434 2.145 10 0 DEAERO CC[C@H](NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)c1nccs1 ZINC000262433869 535857240 /nfs/dbraw/zinc/85/72/40/535857240.db2.gz GCAYZPXWAXGODV-KZTGVZKYSA-N 1 0 323.462 2.243 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(=O)OC)cc1 ZINC000246840741 535875385 /nfs/dbraw/zinc/87/53/85/535875385.db2.gz BOQFQPSGNHEJRP-CVEARBPZSA-N 1 0 316.401 2.172 10 0 DEAERO CC[C@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1nccs1 ZINC000262746858 535886417 /nfs/dbraw/zinc/88/64/17/535886417.db2.gz JYKZJYPNRWQOCS-RYUDHWBXSA-N 1 0 319.434 2.145 10 0 DEAERO CCc1noc(CC)c1CNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358197418 535894424 /nfs/dbraw/zinc/89/44/24/535894424.db2.gz WHSPTVRZORDMAM-UHFFFAOYSA-N 1 0 320.437 2.251 10 0 DEAERO CCc1cccc(NC(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261778657 535898349 /nfs/dbraw/zinc/89/83/49/535898349.db2.gz PJHCEHAGOWNWTP-GOSISDBHSA-N 1 0 324.428 2.229 10 0 DEAERO CCc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cnn1C(C)(C)C ZINC000261905243 536043578 /nfs/dbraw/zinc/04/35/78/536043578.db2.gz WSSSRCYXONGDDN-OKILXGFUSA-N 1 0 318.465 2.272 10 0 DEAERO CCc1cc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)ccc1C ZINC000182001240 536150698 /nfs/dbraw/zinc/15/06/98/536150698.db2.gz NAYBQDBIERTBRW-MRXNPFEDSA-N 1 0 305.422 2.352 10 0 DEAERO CNC(=O)Cc1nc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)cs1 ZINC000248444269 536302645 /nfs/dbraw/zinc/30/26/45/536302645.db2.gz WBBBOVGJJKSHEL-UBHSHLNASA-N 1 0 307.463 2.442 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc2cc[nH]c2n1 ZINC000359427785 536356546 /nfs/dbraw/zinc/35/65/46/536356546.db2.gz RAPULBPVSZSADM-HNNXBMFYSA-N 1 0 300.406 2.444 10 0 DEAERO C[N@H+](CCOCCO)CCOc1c(Cl)cccc1Cl ZINC000336809126 536397011 /nfs/dbraw/zinc/39/70/11/536397011.db2.gz UFRSFORRKDUCJH-UHFFFAOYSA-N 1 0 308.205 2.313 10 0 DEAERO CNC(=O)c1ccc(CN(CC[NH3+])CCc2ccccc2)cc1 ZINC000261864996 536422087 /nfs/dbraw/zinc/42/20/87/536422087.db2.gz ZXQWCDPKPSWULB-UHFFFAOYSA-N 1 0 311.429 2.050 10 0 DEAERO COC(=O)CN(Cc1ccc(Cl)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261703500 536466013 /nfs/dbraw/zinc/46/60/13/536466013.db2.gz CQWYKIXWNVNMCN-MRXNPFEDSA-N 1 0 310.825 2.315 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn(-c3ccccc3)n2)C1 ZINC000247307352 536472828 /nfs/dbraw/zinc/47/28/28/536472828.db2.gz QGUQNYKASSLUFD-MAUKXSAKSA-N 1 0 324.428 2.429 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2F)CC[C@H]1C ZINC000251602780 536729947 /nfs/dbraw/zinc/72/99/47/536729947.db2.gz FVWAKVPPKJNRKK-UKPHBRMFSA-N 1 0 311.397 2.060 10 0 DEAERO COCc1cc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)ncn1 ZINC000187601502 536732229 /nfs/dbraw/zinc/73/22/29/536732229.db2.gz WHJBQAOOTKBCJR-CYBMUJFWSA-N 1 0 321.425 2.009 10 0 DEAERO COc1ccc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247315584 536769403 /nfs/dbraw/zinc/76/94/03/536769403.db2.gz VSYADXDWQOVEOF-RHSMWYFYSA-N 1 0 317.433 2.050 10 0 DEAERO COc1ccc(C)cc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000262017657 536806312 /nfs/dbraw/zinc/80/63/12/536806312.db2.gz WFXFDAFYCJWCFG-KURKYZTESA-N 1 0 318.461 2.293 10 0 DEAERO COCCN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cn1 ZINC000249390970 536806258 /nfs/dbraw/zinc/80/62/58/536806258.db2.gz FWABIAIWPQIJSC-ZACQAIPSSA-N 1 0 319.449 2.211 10 0 DEAERO COCCN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cn1 ZINC000249390969 536806411 /nfs/dbraw/zinc/80/64/11/536806411.db2.gz FWABIAIWPQIJSC-GVDBMIGSSA-N 1 0 319.449 2.211 10 0 DEAERO COc1ccc(C)cc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000262017662 536806467 /nfs/dbraw/zinc/80/64/67/536806467.db2.gz WFXFDAFYCJWCFG-KZNAEPCWSA-N 1 0 318.461 2.293 10 0 DEAERO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000358220508 536854817 /nfs/dbraw/zinc/85/48/17/536854817.db2.gz LFIZZEYQBFAVCF-SDBXPKJASA-N 1 0 320.311 2.227 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000247476465 536859281 /nfs/dbraw/zinc/85/92/81/536859281.db2.gz IGSOPNNQOUZNKG-ARFHVFGLSA-N 1 0 311.470 2.223 10 0 DEAERO COc1cccc([C@H]2[C@@H](NC(=O)N(C)OC)CC[N@@H+]2C2CC2)c1 ZINC000248978650 536913137 /nfs/dbraw/zinc/91/31/37/536913137.db2.gz FGFNPTWBZVMMMM-HOTGVXAUSA-N 1 0 319.405 2.176 10 0 DEAERO CCC[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cnc(N)s2)C[C@H]1C ZINC000725272597 563578746 /nfs/dbraw/zinc/57/87/46/563578746.db2.gz RBTKGVQKZRAGLR-SCRDCRAPSA-N 1 0 324.494 2.488 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CN1C[C@H](CC(C)(C)C)CC1=O ZINC000189148364 625464587 /nfs/dbraw/zinc/46/45/87/625464587.db2.gz DPBYRWKUWYCCHK-OWCLPIDISA-N 1 0 307.482 2.397 10 0 DEAERO C[C@@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000049646048 622718051 /nfs/dbraw/zinc/71/80/51/622718051.db2.gz RSFFFXXOJSBROL-ZWNOBZJWSA-N 1 0 302.827 2.072 10 0 DEAERO CCCC[C@H](C[NH3+])NS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000254957247 622794304 /nfs/dbraw/zinc/79/43/04/622794304.db2.gz HBNHTIPQOXERGN-CFYYFVFUSA-N 1 0 300.399 2.233 10 0 DEAERO COc1ccc(/C=C\C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000255075511 623378725 /nfs/dbraw/zinc/37/87/25/623378725.db2.gz WDQHEIOQENQEKQ-RYNBPQPRSA-N 1 0 316.401 2.116 10 0 DEAERO C[NH2+]CC1CCN(c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000053664096 625666409 /nfs/dbraw/zinc/66/64/09/625666409.db2.gz IDZHYVMOMHIQEK-UHFFFAOYSA-N 1 0 318.389 2.119 10 0 DEAERO C[C@H](O)[C@H](C)[NH2+]Cc1cccc(I)c1 ZINC000308589405 624526558 /nfs/dbraw/zinc/52/65/58/624526558.db2.gz JSQXIDZQORBTAI-IUCAKERBSA-N 1 0 305.159 2.150 10 0 DEAERO COC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)C1CCOCC1 ZINC000187721383 625060209 /nfs/dbraw/zinc/06/02/09/625060209.db2.gz WRPRMKDUENMUNN-HZPDHXFCSA-N 1 0 313.825 2.405 10 0 DEAERO COc1cccc(OCCN2C[C@H](OC)C[C@@H]2c2ncc[nH]2)c1 ZINC000888079365 625060641 /nfs/dbraw/zinc/06/06/41/625060641.db2.gz ZVNPRLSMUGSQRM-HZPDHXFCSA-N 1 0 317.389 2.259 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000052792343 625104473 /nfs/dbraw/zinc/10/44/73/625104473.db2.gz BUNHGJJBUQQWEH-CYBMUJFWSA-N 1 0 305.403 2.421 10 0 DEAERO COCC[C@H]([NH3+])C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000052792483 625105079 /nfs/dbraw/zinc/10/50/79/625105079.db2.gz YXFTWQSVQAUVPM-RYUDHWBXSA-N 1 0 314.838 2.357 10 0 DEAERO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000329002499 625153766 /nfs/dbraw/zinc/15/37/66/625153766.db2.gz WHYSMAQSCIKJBW-NWANDNLSSA-N 1 0 301.394 2.058 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NNc2cc[nH+]cc2)cc1 ZINC000180439876 625186059 /nfs/dbraw/zinc/18/60/59/625186059.db2.gz GDIQULSTKLBXIO-ABAIWWIYSA-N 1 0 310.357 2.433 10 0 DEAERO C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]CC1CC(O)C1 ZINC000309891011 625209349 /nfs/dbraw/zinc/20/93/49/625209349.db2.gz BLLYWVVDFGUTGR-HSBZDZAISA-N 1 0 300.443 2.430 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000180736824 625222329 /nfs/dbraw/zinc/22/23/29/625222329.db2.gz IHWLEUUSTUMIAR-GHMZBOCLSA-N 1 0 314.788 2.377 10 0 DEAERO [NH3+]C[C@@H](NS(=O)(=O)/C=C/c1ccc(F)cc1)C1CCCC1 ZINC000194769915 625742039 /nfs/dbraw/zinc/74/20/39/625742039.db2.gz UMGBNMZSNWJHAC-BOLDSZDNSA-N 1 0 312.410 2.233 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)N2CCc3ccccc32)C1 ZINC000177206148 625883578 /nfs/dbraw/zinc/88/35/78/625883578.db2.gz PFEXKIVWJRLRFR-INMHGKMJSA-N 1 0 315.461 2.283 10 0 DEAERO CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000736274112 633589072 /nfs/dbraw/zinc/58/90/72/633589072.db2.gz QAVLHQLCBBEPOV-HNNXBMFYSA-N 1 0 312.454 2.441 10 0 DEAERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000186206736 633960573 /nfs/dbraw/zinc/96/05/73/633960573.db2.gz XLTSZLZMSUGBME-NRMKIYEFSA-N 1 0 317.389 2.456 10 0 DEAERO O=C(/C=C/c1ccnc(Cl)c1)OCC[NH+]1CCSCC1 ZINC000092715875 635257807 /nfs/dbraw/zinc/25/78/07/635257807.db2.gz QJWYCMHBUAGXSP-OWOJBTEDSA-N 1 0 312.822 2.340 10 0 DEAERO CC1(C)CC(NC(=O)c2cnc3nsnc3c2)CC(C)(C)[NH2+]1 ZINC000222606279 636366045 /nfs/dbraw/zinc/36/60/45/636366045.db2.gz XWOTWQLEODWDRR-UHFFFAOYSA-N 1 0 319.434 2.125 10 0 DEAERO CCc1cc2c(C[N@H+](C)CC3(CO)CC3)cc(=O)oc2cc1O ZINC000186786965 636565609 /nfs/dbraw/zinc/56/56/09/636565609.db2.gz NNECEWFSXLLRNV-UHFFFAOYSA-N 1 0 317.385 2.265 10 0 DEAERO CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@@H](O)c1ccc(C)cc1 ZINC000246448877 636820719 /nfs/dbraw/zinc/82/07/19/636820719.db2.gz FADXLDQSFKHCAI-GDBMZVCRSA-N 1 0 313.463 2.031 10 0 DEAERO CCN1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187157290 637157703 /nfs/dbraw/zinc/15/77/03/637157703.db2.gz PMWJMBCSBWUDPD-INIZCTEOSA-N 1 0 301.434 2.170 10 0 DEAERO O=C(/C=C/c1cccs1)N(C(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000223171106 637458346 /nfs/dbraw/zinc/45/83/46/637458346.db2.gz PCHLQAJYRZGZOQ-GUOLPTJISA-N 1 0 304.415 2.279 10 0 DEAERO COC(=O)/C(C)=C/CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000750055138 637811074 /nfs/dbraw/zinc/81/10/74/637811074.db2.gz NZUOSIKCCISNGT-NQUDRAQSSA-N 1 0 302.418 2.312 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](C)c1nc(C)cs1 ZINC000727660202 638191698 /nfs/dbraw/zinc/19/16/98/638191698.db2.gz VKHYEZVRHVMNCT-VXGBXAGGSA-N 1 0 312.508 2.461 10 0 DEAERO COC(=O)/C(C)=C\C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000746503993 638350234 /nfs/dbraw/zinc/35/02/34/638350234.db2.gz SZIRTDMPTGABNH-ZSOIEALJSA-N 1 0 322.449 2.267 10 0 DEAERO COC(=O)/C(C)=C/C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000746500635 638350621 /nfs/dbraw/zinc/35/06/21/638350621.db2.gz YTCTVWBYKNPUMY-RIYZIHGNSA-N 1 0 316.401 2.456 10 0 DEAERO COC(=O)/C(C)=C\C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000748814190 638593850 /nfs/dbraw/zinc/59/38/50/638593850.db2.gz VSEVCQZATCQRQS-AUWJEWJLSA-N 1 0 322.449 2.267 10 0 DEAERO COC(=O)/C(C)=C\C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000748818222 638595630 /nfs/dbraw/zinc/59/56/30/638595630.db2.gz SDLXKKGCSCYGNJ-QXSWTLKVSA-N 1 0 303.402 2.478 10 0 DEAERO CCN(C[C@@H]1CC[N@H+](C/C=C(/C)C(=O)OC)C1)CC(F)(F)F ZINC000748825826 638596649 /nfs/dbraw/zinc/59/66/49/638596649.db2.gz ZHAFJWWACVXBKR-XLVZXTRVSA-N 1 0 322.371 2.312 10 0 DEAERO C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccncc1 ZINC000749587979 638661577 /nfs/dbraw/zinc/66/15/77/638661577.db2.gz BXDWQDYDIJYVBP-KBMXLJTQSA-N 1 0 304.438 2.357 10 0 DEAERO O=C(C[NH2+]Cc1cnn2ccccc12)N1CCc2ccccc21 ZINC000729684949 640825491 /nfs/dbraw/zinc/82/54/91/640825491.db2.gz NJXMKLOSVQZXEA-UHFFFAOYSA-N 1 0 306.369 2.013 10 0 DEAERO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000729811595 640844434 /nfs/dbraw/zinc/84/44/34/640844434.db2.gz SLVZEDMXOUSGRI-GFCCVEGCSA-N 1 0 317.364 2.471 10 0 DEAERO C[NH+]1CCC(CNC(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000800706003 645298979 /nfs/dbraw/zinc/29/89/79/645298979.db2.gz YCDFSPYERSLNBO-INIZCTEOSA-N 1 0 321.852 2.448 10 0 DEAERO O=S(=O)(Cc1ccccc1)NCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000800968622 645325053 /nfs/dbraw/zinc/32/50/53/645325053.db2.gz USUXCTJGKKGNLV-SJORKVTESA-N 1 0 322.474 2.274 10 0 DEAERO C[N@H+](CCC(=O)N1CCO[C@@H](C(F)F)C1)C1CCCCC1 ZINC000801424106 645394867 /nfs/dbraw/zinc/39/48/67/645394867.db2.gz SMGVISXYFSIJAS-CYBMUJFWSA-N 1 0 304.381 2.134 10 0 DEAERO CC[S@](=O)CC[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000801723280 645434388 /nfs/dbraw/zinc/43/43/88/645434388.db2.gz VHNABCXNKVDIRU-NRFANRHFSA-N 1 0 305.447 2.254 10 0 DEAERO COCC1(O)CC[NH+](Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC000801936037 645464915 /nfs/dbraw/zinc/46/49/15/645464915.db2.gz ICUALTTXPJGLBY-UHFFFAOYSA-N 1 0 307.510 2.205 10 0 DEAERO CC(=O)[C@H](C)CCCCC(=O)OC[C@H]1C[N@H+](C(C)C)CCO1 ZINC000802133036 645484633 /nfs/dbraw/zinc/48/46/33/645484633.db2.gz CBXHLWZRLMZDGN-GDBMZVCRSA-N 1 0 313.438 2.424 10 0 DEAERO CCCN(CC[NH+]1CCCC1)C(=O)CC(C)(C)COC(C)=O ZINC000804442835 645771475 /nfs/dbraw/zinc/77/14/75/645771475.db2.gz OYLRVQZXHPZNKE-UHFFFAOYSA-N 1 0 312.454 2.300 10 0 DEAERO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1ccc(F)cn1 ZINC000806724156 645863803 /nfs/dbraw/zinc/86/38/03/645863803.db2.gz LJYUCTLRAJHZAH-UHFFFAOYSA-N 1 0 315.392 2.483 10 0 DEAERO CC[C@H]1CCCCC[N@@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000150735838 646083454 /nfs/dbraw/zinc/08/34/54/646083454.db2.gz KKVXRPKYSBVRSW-HNNXBMFYSA-N 1 0 310.438 2.007 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000223019417 646482281 /nfs/dbraw/zinc/48/22/81/646482281.db2.gz WEBRMNLTKCLXRC-YNEHKIRRSA-N 1 0 316.442 2.419 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@@H]2CCC[C@@H]2O)CC1 ZINC000226368228 646569339 /nfs/dbraw/zinc/56/93/39/646569339.db2.gz RFQIELOMTQJQRL-GJZGRUSLSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000229592126 646693155 /nfs/dbraw/zinc/69/31/55/646693155.db2.gz ZGZSZDVCLKFBMU-SIWBASNISA-N 1 0 314.838 2.371 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000229607568 646694143 /nfs/dbraw/zinc/69/41/43/646694143.db2.gz HHBMDMRRSXSPBF-SKDRFNHKSA-N 1 0 304.362 2.235 10 0 DEAERO Cn1ccc(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000230685110 646743524 /nfs/dbraw/zinc/74/35/24/646743524.db2.gz PMFIAXJMVPDVQC-OCCSQVGLSA-N 1 0 308.426 2.203 10 0 DEAERO C[NH+](C)C1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172978692 646758023 /nfs/dbraw/zinc/75/80/23/646758023.db2.gz XVNSRIIXHPKPAE-MRXNPFEDSA-N 1 0 303.406 2.038 10 0 DEAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCC(C)=O)C1 ZINC000173647383 646775944 /nfs/dbraw/zinc/77/59/44/646775944.db2.gz RSAZOLFHCPYWBB-LBPRGKRZSA-N 1 0 308.344 2.088 10 0 DEAERO COC(=O)[C@@H]1CCC[N@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000151641566 646989605 /nfs/dbraw/zinc/98/96/05/646989605.db2.gz RPIHIYXUOQVKTH-CQSZACIVSA-N 1 0 301.390 2.496 10 0 DEAERO Cc1cc(N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)cc[nH+]1 ZINC000818146132 647424911 /nfs/dbraw/zinc/42/49/11/647424911.db2.gz OTFDJSJCDPZADS-KRWDZBQOSA-N 1 0 314.389 2.224 10 0 DEAERO COc1ccc(-c2nc(CONC(=[NH2+])COC(C)C)no2)cc1 ZINC000731445461 647480061 /nfs/dbraw/zinc/48/00/61/647480061.db2.gz XBGJATSMVUEEFF-UHFFFAOYSA-N 1 0 320.349 2.169 10 0 DEAERO COCC[N@@H+]1CCC[C@@H](NC(=O)/C=C(\C)c2cccc(F)c2)C1 ZINC000732080107 647539651 /nfs/dbraw/zinc/53/96/51/647539651.db2.gz VVQXGRKGCXHNIF-GWKQRERASA-N 1 0 320.408 2.456 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)/C=C/c1ccccc1 ZINC000175393695 648346840 /nfs/dbraw/zinc/34/68/40/648346840.db2.gz WNOISYXHFRIEGF-SICOMBFOSA-N 1 0 308.447 2.403 10 0 DEAERO Cc1ccccc1-n1cnn(CN2CC[C@H]([NH+](C)C)C2)c1=S ZINC000170842910 648353390 /nfs/dbraw/zinc/35/33/90/648353390.db2.gz UUBBTBITVJIWTM-AWEZNQCLSA-N 1 0 317.462 2.305 10 0 DEAERO CN(Cc1ccccc1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261539079 648375747 /nfs/dbraw/zinc/37/57/47/648375747.db2.gz BMKGOUINTDQBQJ-RVKKMQEKSA-N 1 0 302.418 2.178 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NNc2cc[nH+]cc2)c1 ZINC000180517541 648497497 /nfs/dbraw/zinc/49/74/97/648497497.db2.gz XRXRHQCEMXPWIW-IAQYHMDHSA-N 1 0 310.357 2.433 10 0 DEAERO COc1c(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c(C)nn1C ZINC000181099548 648551441 /nfs/dbraw/zinc/55/14/41/648551441.db2.gz VKQYKDVUEUULSF-AWEZNQCLSA-N 1 0 323.437 2.293 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NOCc2ccc(F)cc2)C1 ZINC000183726401 649145517 /nfs/dbraw/zinc/14/55/17/649145517.db2.gz PKFFJXFTSJFZDD-DOMZBBRYSA-N 1 0 309.385 2.285 10 0 DEAERO Cc1cc2ncn(CN3CCO[C@@]4(CCOC4)C3)c2cc1C ZINC000184269286 649252117 /nfs/dbraw/zinc/25/21/17/649252117.db2.gz XFDLIONPQGJLDL-KRWDZBQOSA-N 1 0 301.390 2.102 10 0 DEAERO CCCN(C[C@H]1CCCCO1)Cn1ccc(C)c(C#N)c1=O ZINC000184714990 649355879 /nfs/dbraw/zinc/35/58/79/649355879.db2.gz AGUUUICAHDANTN-OAHLLOKOSA-N 1 0 303.406 2.267 10 0 DEAERO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(CCO)CCOC2)cc1Cl ZINC000185303170 649491641 /nfs/dbraw/zinc/49/16/41/649491641.db2.gz VNSFGAOJXKUUJR-AWEZNQCLSA-N 1 0 314.769 2.127 10 0 DEAERO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185306521 649494402 /nfs/dbraw/zinc/49/44/02/649494402.db2.gz OTTIUIQFKOSXDS-QWRGUYRKSA-N 1 0 311.769 2.382 10 0 DEAERO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)/C=C/c1ccccc1 ZINC000115586019 652174620 /nfs/dbraw/zinc/17/46/20/652174620.db2.gz FQSPPJWNSAZXAJ-TYZQSYOASA-N 1 0 308.447 2.261 10 0 DEAERO Cc1cc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000379688574 685392323 /nfs/dbraw/zinc/39/23/23/685392323.db2.gz ZBPSNFCJCWOFQW-MRXNPFEDSA-N 1 0 311.433 2.086 10 0 DEAERO [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379659458 685393370 /nfs/dbraw/zinc/39/33/70/685393370.db2.gz ARYYMYQGYZXCJF-ROUUACIJSA-N 1 0 315.461 2.285 10 0 DEAERO CN(C1CC([NH3+])C1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000384955544 685413245 /nfs/dbraw/zinc/41/32/45/685413245.db2.gz VXBZRWIKULOXAO-VOTSOKGWSA-N 1 0 300.811 2.062 10 0 DEAERO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cnn(C)n1 ZINC000389835423 685435739 /nfs/dbraw/zinc/43/57/39/685435739.db2.gz NKIYZRWCZYOWNH-TZMCWYRMSA-N 1 0 323.441 2.083 10 0 DEAERO CC(C)[C@@H](CO)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000394033560 685454833 /nfs/dbraw/zinc/45/48/33/685454833.db2.gz MORXDRDORDQNDO-ZIAGYGMSSA-N 1 0 300.443 2.240 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H]2COc3ccccc32)C1 ZINC000077957353 683957809 /nfs/dbraw/zinc/95/78/09/683957809.db2.gz QCMSMLACRHDFKD-GOEBONIOSA-N 1 0 319.401 2.063 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc2ccccc21 ZINC000123935932 684129609 /nfs/dbraw/zinc/12/96/09/684129609.db2.gz IEGMFOFCORUZGU-UKRRQHHQSA-N 1 0 304.415 2.246 10 0 DEAERO C[N@H+](CC(C)(C)CN1CCOCC1)C[C@](C)(O)c1ccccc1 ZINC000124500119 684135452 /nfs/dbraw/zinc/13/54/52/684135452.db2.gz DGQJWUQHKPIQKH-IBGZPJMESA-N 1 0 320.477 2.184 10 0 DEAERO O=C(c1cccnc1SC(F)F)N1CCN(C2CC2)CC1 ZINC000124797075 684138516 /nfs/dbraw/zinc/13/85/16/684138516.db2.gz FIPHTCGXCLPEAZ-UHFFFAOYSA-N 1 0 313.373 2.317 10 0 DEAERO Cc1nc(CCCC(=O)OCCN2CCSCC2)cs1 ZINC000127741361 684165766 /nfs/dbraw/zinc/16/57/66/684165766.db2.gz CLSIGLMKUJXUQT-UHFFFAOYSA-N 1 0 314.476 2.366 10 0 DEAERO CCc1ccc([C@H]([NH2+]CC2CN(S(C)(=O)=O)C2)C(C)C)cc1 ZINC000187829977 684344128 /nfs/dbraw/zinc/34/41/28/684344128.db2.gz POWQFXQNGSHFFP-QGZVFWFLSA-N 1 0 324.490 2.427 10 0 DEAERO CO[C@@H]1CN(Cn2nc3nc(C)cc(C)n3c2=S)CC[C@@H]1C ZINC000190200549 684398208 /nfs/dbraw/zinc/39/82/08/684398208.db2.gz BTDIXYUNHRVAOL-GXFFZTMASA-N 1 0 321.450 2.191 10 0 DEAERO CC1(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)OCCCO1 ZINC000192248482 684445629 /nfs/dbraw/zinc/44/56/29/684445629.db2.gz UWSHRSQYOYXBKR-KRWDZBQOSA-N 1 0 321.417 2.487 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1CSCCS1)c1ccccc1 ZINC000192933731 684460861 /nfs/dbraw/zinc/46/08/61/684460861.db2.gz WTIKUIIEKXZBBP-ZIAGYGMSSA-N 1 0 310.488 2.254 10 0 DEAERO Cn1ccnc1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000219217113 685105832 /nfs/dbraw/zinc/10/58/32/685105832.db2.gz DWASJXXLNJSWJD-UHFFFAOYSA-N 1 0 308.426 2.346 10 0 DEAERO CCCn1c(C)nn(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1=S ZINC000245644770 685115897 /nfs/dbraw/zinc/11/58/97/685115897.db2.gz YWMYOCDAEUJIJX-TZMCWYRMSA-N 1 0 309.483 2.259 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NOCc1ccccc1 ZINC000246126055 685123896 /nfs/dbraw/zinc/12/38/96/685123896.db2.gz IRLLQZGSXVPSJS-HOTGVXAUSA-N 1 0 303.406 2.386 10 0 DEAERO COc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000246707060 685134468 /nfs/dbraw/zinc/13/44/68/685134468.db2.gz WQOLEMBIZWKFCQ-FVQBIDKESA-N 1 0 320.433 2.143 10 0 DEAERO C[C@@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)N1CCc2ccccc21 ZINC000246818100 685136897 /nfs/dbraw/zinc/13/68/97/685136897.db2.gz CIYZEOZSKDNPOS-HLLBOEOZSA-N 1 0 313.445 2.133 10 0 DEAERO C[C@@H]([NH2+][C@H]1C[C@H]1C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000248745515 685167007 /nfs/dbraw/zinc/16/70/07/685167007.db2.gz RYOGFYBUNXCFPQ-TXCZRRACSA-N 1 0 318.417 2.411 10 0 DEAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000249120099 685175139 /nfs/dbraw/zinc/17/51/39/685175139.db2.gz ZCXDWDXFSVHVGG-QOIYZWAUSA-N 1 0 316.445 2.488 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]nc3c2CCCC3)[C@@H](C)C1 ZINC000249126945 685176064 /nfs/dbraw/zinc/17/60/64/685176064.db2.gz JKVKPAYIMNRKGI-SUMWQHHRSA-N 1 0 318.465 2.020 10 0 DEAERO CC(=O)N1C[C@H]([NH2+][C@@H]2CCCOCC2)CC[C@H]1C(F)(F)F ZINC000886031608 691988348 /nfs/dbraw/zinc/98/83/48/691988348.db2.gz CULUCRQMVLHNLV-UPJWGTAASA-N 1 0 308.344 2.087 10 0 DEAERO Cc1cc(C)n(CC[NH2+][C@H]2CCO[C@@H]2c2cnn(C(C)C)c2)n1 ZINC000886074704 691997840 /nfs/dbraw/zinc/99/78/40/691997840.db2.gz POBJVHUOTZGFRP-DLBZAZTESA-N 1 0 317.437 2.397 10 0 DEAERO Cn1ccnc1[C@H]1[C@H]([NH2+]C/C=C\c2ccccc2)CCC(=O)N1C ZINC000886079306 691998726 /nfs/dbraw/zinc/99/87/26/691998726.db2.gz FXMCWSYKJVXPEJ-UBUVMBRLSA-N 1 0 324.428 2.385 10 0 DEAERO [NH3+]C1(Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000398331115 790265399 /nfs/dbraw/zinc/26/53/99/790265399.db2.gz DEJSUWPESPIDOP-UHFFFAOYSA-N 1 0 308.179 2.457 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](CC[NH3+])C1 ZINC000723703789 777165696 /nfs/dbraw/zinc/16/56/96/777165696.db2.gz WUPLNLGQJBXDLK-NSHDSACASA-N 1 0 302.827 2.008 10 0 DEAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@H]1CCCOC1 ZINC000723995364 777217750 /nfs/dbraw/zinc/21/77/50/777217750.db2.gz PIHKFTDGBLNLAK-XGUBFFRZSA-N 1 0 303.468 2.137 10 0 DEAERO CO[C@](C)(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1CC1 ZINC000724036119 777226014 /nfs/dbraw/zinc/22/60/14/777226014.db2.gz KBCRLPZANAHFMT-NXEZZACHSA-N 1 0 305.287 2.340 10 0 DEAERO CO[C@]1(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CCSC1 ZINC000724073271 777235050 /nfs/dbraw/zinc/23/50/50/777235050.db2.gz ZTECXBFOUHQBJY-IUCAKERBSA-N 1 0 323.327 2.047 10 0 DEAERO CC(=O)[C@H]1CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724107461 777242260 /nfs/dbraw/zinc/24/22/60/777242260.db2.gz CKTIVTQJCTYQBH-UWVGGRQHSA-N 1 0 303.271 2.236 10 0 DEAERO COC[C@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724109841 777242731 /nfs/dbraw/zinc/24/27/31/777242731.db2.gz ADGPJXCOVYYKPJ-VHSXEESVSA-N 1 0 305.287 2.293 10 0 DEAERO Brc1cc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cs1 ZINC000724651936 777433307 /nfs/dbraw/zinc/43/33/07/777433307.db2.gz BZTBWPRRLMKFBY-MXWKQRLJSA-N 1 0 318.236 2.404 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]Cc1nccn1C1CC1 ZINC000725000463 777550034 /nfs/dbraw/zinc/55/00/34/777550034.db2.gz VOHYSBSPGCYZCT-CYBMUJFWSA-N 1 0 306.410 2.317 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000725089259 777582887 /nfs/dbraw/zinc/58/28/87/777582887.db2.gz JWXBXVISYIYBJZ-UHFFFAOYSA-N 1 0 302.465 2.033 10 0 DEAERO Cn1cc(C[NH2+][C@@H](CCO)C2CCCC2)c(Br)n1 ZINC000725115015 777587391 /nfs/dbraw/zinc/58/73/91/777587391.db2.gz VLEMPVFKZFXQLA-LBPRGKRZSA-N 1 0 316.243 2.213 10 0 DEAERO CCS(=O)(=O)C1(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000721614609 777797134 /nfs/dbraw/zinc/79/71/34/777797134.db2.gz PRAITYKYVJGVTB-CHWSQXEVSA-N 1 0 303.468 2.137 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1C ZINC000722566812 778787776 /nfs/dbraw/zinc/78/77/76/778787776.db2.gz KDGINYJVMIEXML-JOCQHMNTSA-N 1 0 316.492 2.469 10 0 DEAERO CO[C@@]1(C[NH2+]CCC2CCCCCC2)CCS(=O)(=O)C1 ZINC000721228242 784279642 /nfs/dbraw/zinc/27/96/42/784279642.db2.gz HLSANNOAXLNQFK-OAHLLOKOSA-N 1 0 303.468 2.140 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000721849127 787323724 /nfs/dbraw/zinc/32/37/24/787323724.db2.gz OYSOIRVLFJUUII-BEAPCOKYSA-N 1 0 310.438 2.399 10 0 DEAERO Brc1c[nH]nc1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723643319 787344888 /nfs/dbraw/zinc/34/48/88/787344888.db2.gz GHMCNHNBDGRNFJ-OUAUKWLOSA-N 1 0 314.227 2.467 10 0 DEAERO CCO[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC000724316404 787350896 /nfs/dbraw/zinc/35/08/96/787350896.db2.gz IQEKWGZMCIQIBO-DYALRZPUSA-N 1 0 301.452 2.032 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)CN1Cc1ccccc1 ZINC000724655210 787352479 /nfs/dbraw/zinc/35/24/79/787352479.db2.gz AOUYTEZTUWCIHR-IQRFUGTFSA-N 1 0 316.445 2.043 10 0 DEAERO COC(=O)/C(C)=C/CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000393903906 789599351 /nfs/dbraw/zinc/59/93/51/789599351.db2.gz JXZZCJYMZDWSIM-NQUDRAQSSA-N 1 0 302.418 2.312 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](O)C2(C)C)C1 ZINC000393943061 789604188 /nfs/dbraw/zinc/60/41/88/789604188.db2.gz MLDLEUMKCXGWHA-REWJHTLYSA-N 1 0 312.454 2.429 10 0 DEAERO CC(C)=CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397638912 790207742 /nfs/dbraw/zinc/20/77/42/790207742.db2.gz REDVXZOPDPXZDC-UHFFFAOYSA-N 1 0 302.418 2.096 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCN3CCCC[C@H]23)C1 ZINC000397729193 790213669 /nfs/dbraw/zinc/21/36/69/790213669.db2.gz DNHLZIUXJKHCNR-HUUCEWRRSA-N 1 0 309.454 2.070 10 0 DEAERO Cn1cc(C[NH2+]CC2SCCS2)c(Br)n1 ZINC000712458943 792189145 /nfs/dbraw/zinc/18/91/45/792189145.db2.gz AHPYBFWDAQQEPR-UHFFFAOYSA-N 1 0 308.270 2.078 10 0 DEAERO Cn1cc(C[NH2+]CCCOC(C)(C)C)c(Br)n1 ZINC000712452631 792189231 /nfs/dbraw/zinc/18/92/31/792189231.db2.gz ZJYYMWRHDISKNL-UHFFFAOYSA-N 1 0 304.232 2.477 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)s1 ZINC000712508027 792191751 /nfs/dbraw/zinc/19/17/51/792191751.db2.gz WKGXMLPCOSZLHH-UHFFFAOYSA-N 1 0 302.465 2.073 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCN1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000712571856 792201762 /nfs/dbraw/zinc/20/17/62/792201762.db2.gz ZCKVZSVCQSIKAG-ZNMIVQPWSA-N 1 0 311.470 2.316 10 0 DEAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2cc(Br)ccc2O)C1 ZINC000713200048 792216651 /nfs/dbraw/zinc/21/66/51/792216651.db2.gz PBLVAFUYECLRIZ-WIMUKIRHSA-N 1 0 311.179 2.221 10 0 DEAERO CN(Cc1cn(C)nc1Br)C1(C[NH3+])CCCCC1 ZINC000713293920 792219663 /nfs/dbraw/zinc/21/96/63/792219663.db2.gz CESJPUMHLWKRKW-UHFFFAOYSA-N 1 0 315.259 2.276 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c(F)c1 ZINC000714252230 792306290 /nfs/dbraw/zinc/30/62/90/792306290.db2.gz YVJOPFYGFYPREE-NHCYSSNCSA-N 1 0 301.383 2.061 10 0 DEAERO Cn1cc(CCC[NH2+]Cc2ncc(Br)s2)cn1 ZINC000714945249 792360879 /nfs/dbraw/zinc/36/08/79/792360879.db2.gz WKOQTLYAEOHELI-UHFFFAOYSA-N 1 0 315.240 2.362 10 0 DEAERO CCn1cc(CNC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)nn1 ZINC000714950200 792375401 /nfs/dbraw/zinc/37/54/01/792375401.db2.gz LCTCVXYLGMJNKV-GOSISDBHSA-N 1 0 313.449 2.442 10 0 DEAERO C=Cn1cc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)cn1 ZINC000715068094 792379367 /nfs/dbraw/zinc/37/93/67/792379367.db2.gz UEFAZDYYKBXXDU-UHFFFAOYSA-N 1 0 306.410 2.377 10 0 DEAERO COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715167787 792402500 /nfs/dbraw/zinc/40/25/00/792402500.db2.gz DRACNPKXPNYZSB-CPCISQLKSA-N 1 0 304.724 2.436 10 0 DEAERO O=C(NCCOCc1ccccc1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715389810 792447114 /nfs/dbraw/zinc/44/71/14/792447114.db2.gz YVXJPVJDJBEBNW-SJLPKXTDSA-N 1 0 302.418 2.099 10 0 DEAERO Cc1cc(Br)cc(C(=O)NC23CC[NH+](CC2)C3)c1 ZINC000715500366 792470021 /nfs/dbraw/zinc/47/00/21/792470021.db2.gz GJFUKTJZNVDRCJ-UHFFFAOYSA-N 1 0 309.207 2.336 10 0 DEAERO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)c1cn(C)nn1 ZINC000715835255 792526119 /nfs/dbraw/zinc/52/61/19/792526119.db2.gz GZYJGQSMXXOYIS-FRRDWIJNSA-N 1 0 323.441 2.111 10 0 DEAERO COC[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716619998 792979100 /nfs/dbraw/zinc/97/91/00/792979100.db2.gz JYRDRCPQZVGXLK-ZSYWTGECSA-N 1 0 318.461 2.291 10 0 DEAERO NC(=O)C1CC([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000716787965 793007370 /nfs/dbraw/zinc/00/73/70/793007370.db2.gz CXAPVEICCRCTNR-UHFFFAOYSA-N 1 0 304.724 2.295 10 0 DEAERO C[C@H]([NH2+]CC[C@@H](O)C(F)F)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000716767140 793007635 /nfs/dbraw/zinc/00/76/35/793007635.db2.gz XOANRAGCJHOHFI-QJPTWQEYSA-N 1 0 322.396 2.380 10 0 DEAERO CCC[C@H](CCO)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000716827533 793008280 /nfs/dbraw/zinc/00/82/80/793008280.db2.gz HCJQUGYYKSUCKJ-ROKHWSDSSA-N 1 0 300.443 2.430 10 0 DEAERO [NH3+][C@H]1CN(c2nnc(C(F)F)s2)CC[C@H]1C(F)(F)F ZINC000716985006 798338541 /nfs/dbraw/zinc/33/85/41/798338541.db2.gz IEVVGVRYCUSEKZ-UHNVWZDZSA-N 1 0 302.272 2.192 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]Cc2cncn2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401765051 801849572 /nfs/dbraw/zinc/84/95/72/801849572.db2.gz XWJMNPSFQVRXIC-CHWSQXEVSA-N 1 0 308.426 2.155 10 0 DEAERO CC[C@H](CCO)[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401784936 801852558 /nfs/dbraw/zinc/85/25/58/801852558.db2.gz YYUBAJJFIQQWBO-MJBXVCDLSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CC2(CCO)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401848058 801854521 /nfs/dbraw/zinc/85/45/21/801854521.db2.gz RGOOYOUYTRVYIF-UONOGXRCSA-N 1 0 312.454 2.384 10 0 DEAERO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401952604 801859081 /nfs/dbraw/zinc/85/90/81/801859081.db2.gz VUABDTVPGQIDHQ-CVEARBPZSA-N 1 0 318.417 2.412 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C12CCC2 ZINC000405225639 802044622 /nfs/dbraw/zinc/04/46/22/802044622.db2.gz ONPRKCSHYXXBNL-KGLIPLIRSA-N 1 0 320.437 2.309 10 0 DEAERO C[C@@H]1OC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@H]1C ZINC000405565024 802072238 /nfs/dbraw/zinc/07/22/38/802072238.db2.gz VBDYLLQEPHKUMY-JFRXWTBNSA-N 1 0 318.461 2.291 10 0 DEAERO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000405896208 802089878 /nfs/dbraw/zinc/08/98/78/802089878.db2.gz PXDUPHXXKLZTME-UHFFFAOYSA-N 1 0 322.405 2.346 10 0 DEAERO CCNC(=O)C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000036850113 1078199262 /nfs/dbraw/zinc/19/92/62/1078199262.db2.gz YYDUIQUNOFNNOE-UHFFFAOYSA-N 1 0 311.223 2.421 10 0 DEAERO c1cn(CCCC[NH2+]Cc2ccccc2N2CCOCC2)cn1 ZINC000066973785 1079869000 /nfs/dbraw/zinc/86/90/00/1079869000.db2.gz NSJIAVLKWYEKQI-UHFFFAOYSA-N 1 0 314.433 2.290 10 0 DEAERO O=C1OCCN1CCC[NH2+]Cc1ccc(Br)cc1 ZINC000077405705 1080470105 /nfs/dbraw/zinc/47/01/05/1080470105.db2.gz ZYLKCSCCQGUPGD-UHFFFAOYSA-N 1 0 313.195 2.381 10 0 DEAERO c1cnn(-c2ccc(C[NH2+]CCCOC[C@@H]3CCOC3)cc2)c1 ZINC000077447134 1080473175 /nfs/dbraw/zinc/47/31/75/1080473175.db2.gz RTOFIZLVTYUIIA-KRWDZBQOSA-N 1 0 315.417 2.405 10 0 DEAERO C/C=C(/C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000080469279 1082267391 /nfs/dbraw/zinc/26/73/91/1082267391.db2.gz SEOBWCFHYSCQSM-YPEHOIGNSA-N 1 0 315.461 2.277 10 0 DEAERO Cn1cnc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1 ZINC000721846303 1082299535 /nfs/dbraw/zinc/29/95/35/1082299535.db2.gz IIYPQDRKIWCIMQ-ZDUSSCGKSA-N 1 0 308.426 2.155 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1[NH3+] ZINC000720833039 1086188398 /nfs/dbraw/zinc/18/83/98/1086188398.db2.gz CVVFULGNLRNVOT-SNVBAGLBSA-N 1 0 323.245 2.351 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@@H]1CCn3ccnc31)C2 ZINC000701917381 1086392385 /nfs/dbraw/zinc/39/23/85/1086392385.db2.gz AJHQWUJVVXYWBO-UIORMTCPSA-N 1 0 318.421 2.317 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@@H]1COCC1(C)C)C2 ZINC000701923665 1086396222 /nfs/dbraw/zinc/39/62/22/1086396222.db2.gz HJHMNFSUJSYAIL-UIORMTCPSA-N 1 0 310.438 2.401 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc(-c2cscn2)no1 ZINC000702197228 1086415305 /nfs/dbraw/zinc/41/53/05/1086415305.db2.gz BHOWMLXEHLBEHJ-LBPRGKRZSA-N 1 0 315.402 2.325 10 0 DEAERO O=C(c1ccc(Br)cc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702241198 1086416771 /nfs/dbraw/zinc/41/67/71/1086416771.db2.gz YGCAMQWLJHNAAT-ZDUSSCGKSA-N 1 0 309.207 2.369 10 0 DEAERO O=C(c1nc(Cl)ccc1Cl)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702298701 1086420276 /nfs/dbraw/zinc/42/02/76/1086420276.db2.gz WZPBKNDHNFBJDE-VIFPVBQESA-N 1 0 300.189 2.309 10 0 DEAERO Cc1n[nH]cc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702332108 1086424621 /nfs/dbraw/zinc/42/46/21/1086424621.db2.gz BVMKPVUSOJIFHI-QFBILLFUSA-N 1 0 324.428 2.312 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(C(=O)c3nc(Cl)ccc3Cl)C[C@]2(C)C1 ZINC000702397122 1086427870 /nfs/dbraw/zinc/42/78/70/1086427870.db2.gz OBQAHYFJILHWOQ-OTYXRUKQSA-N 1 0 314.216 2.412 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(C(=O)c3occc3Br)C[C@]2(C)C1 ZINC000702454005 1086436796 /nfs/dbraw/zinc/43/67/96/1086436796.db2.gz MNYUJCNPZJYTDX-RNCFNFMXSA-N 1 0 313.195 2.066 10 0 DEAERO C[C@@H](Cc1ccccn1)[NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000703316062 1086493604 /nfs/dbraw/zinc/49/36/04/1086493604.db2.gz XEPNHBOVQCESKS-GXTWGEPZSA-N 1 0 307.394 2.153 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCSCC2)CO1 ZINC000703353906 1086493804 /nfs/dbraw/zinc/49/38/04/1086493804.db2.gz CTMQEYUUNCEUHM-GFCCVEGCSA-N 1 0 302.440 2.270 10 0 DEAERO [NH3+][C@@H]1CN(Cc2ncccc2Br)C[C@H]1C(F)(F)F ZINC000720902441 1086525983 /nfs/dbraw/zinc/52/59/83/1086525983.db2.gz BEFQLEFOTOENPX-VXNVDRBHSA-N 1 0 324.144 2.166 10 0 DEAERO CCC[NH+]1CCC(N[C@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000705599068 1086618042 /nfs/dbraw/zinc/61/80/42/1086618042.db2.gz PXTHKGQFCQWVHI-CQSZACIVSA-N 1 0 313.442 2.001 10 0 DEAERO CC[C@@H](C(N)=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000706574178 1086641768 /nfs/dbraw/zinc/64/17/68/1086641768.db2.gz OUNNSOSFIHDMSI-YTQUADARSA-N 1 0 315.461 2.094 10 0 DEAERO C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000706641975 1086643235 /nfs/dbraw/zinc/64/32/35/1086643235.db2.gz FMQCXAYLLXIZDO-KGLIPLIRSA-N 1 0 316.442 2.027 10 0 DEAERO CO[C@H](C)C[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000710110011 1086687234 /nfs/dbraw/zinc/68/72/34/1086687234.db2.gz RSMQSFUDVLMVJH-ZYHUDNBSSA-N 1 0 316.323 2.131 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000710957365 1086691648 /nfs/dbraw/zinc/69/16/48/1086691648.db2.gz DPHCCSURMZJXLG-INIZCTEOSA-N 1 0 301.390 2.173 10 0 DEAERO Cc1ncsc1CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710939109 1086691655 /nfs/dbraw/zinc/69/16/55/1086691655.db2.gz MZUYCNLNRJHOFN-UHFFFAOYSA-N 1 0 311.451 2.451 10 0 DEAERO CN(C)C1(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC000710970596 1086692196 /nfs/dbraw/zinc/69/21/96/1086692196.db2.gz HOOIXHVILYGSNQ-UHFFFAOYSA-N 1 0 311.470 2.317 10 0 DEAERO CO[C@](C)(C[NH2+][C@@H]1CCC1(OC)OC)COCc1ccccc1 ZINC000710990575 1086692625 /nfs/dbraw/zinc/69/26/25/1086692625.db2.gz UIQWVTHXJBXCPL-IAGOWNOFSA-N 1 0 323.433 2.349 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000711333119 1087066538 /nfs/dbraw/zinc/06/65/38/1087066538.db2.gz PSCZVEPUKUUXDM-IRXDYDNUSA-N 1 0 316.445 2.297 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H](CO)C(C)(C)C)C1 ZINC000711485289 1087135248 /nfs/dbraw/zinc/13/52/48/1087135248.db2.gz PRPWZCSUZNIZAP-XQQFMLRXSA-N 1 0 300.443 2.286 10 0 DEAERO C[C@@]1(c2nc(-c3ccccc3Br)no2)C[NH2+]CCO1 ZINC000711560604 1087157110 /nfs/dbraw/zinc/15/71/10/1087157110.db2.gz SUGZNYHBDUPHQW-ZDUSSCGKSA-N 1 0 324.178 2.334 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711630115 1087178606 /nfs/dbraw/zinc/17/86/06/1087178606.db2.gz ABUPNXWEOSPCME-MFKMUULPSA-N 1 0 313.195 2.365 10 0 DEAERO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Br)cc1 ZINC000711651824 1087186503 /nfs/dbraw/zinc/18/65/03/1087186503.db2.gz ABTVCIGBRSLOHQ-OCCSQVGLSA-N 1 0 309.207 2.464 10 0 DEAERO FC(F)(F)c1cc(-c2nc(N3CC[NH2+]CC3)no2)cs1 ZINC000718192152 1088410887 /nfs/dbraw/zinc/41/08/87/1088410887.db2.gz HVUSCWINAUSTOM-UHFFFAOYSA-N 1 0 304.297 2.227 10 0 DEAERO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000718350507 1088487723 /nfs/dbraw/zinc/48/77/23/1088487723.db2.gz FJZFZIFHUTWDQX-HZSPNIEDSA-N 1 0 314.426 2.475 10 0 DEAERO Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](C4OCCO4)C3)o2)cc1 ZINC000719021559 1088763172 /nfs/dbraw/zinc/76/31/72/1088763172.db2.gz IOBJDNFWPFRIMA-AWEZNQCLSA-N 1 0 315.373 2.240 10 0 DEAERO C[NH2+]C[C@@H]1CCN(Cc2nc(C)c(Br)s2)C1 ZINC000719252242 1088914826 /nfs/dbraw/zinc/91/48/26/1088914826.db2.gz KOVWARZXBVSKII-VIFPVBQESA-N 1 0 304.257 2.255 10 0 DEAERO CCn1cc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000719383949 1089077775 /nfs/dbraw/zinc/07/77/75/1089077775.db2.gz AMSBSUANHLGKIO-MWLCHTKSSA-N 1 0 314.227 2.093 10 0 DEAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCN(C)[C@H]1C ZINC000719581261 1089312311 /nfs/dbraw/zinc/31/23/11/1089312311.db2.gz KKHXXIMEBSLHHE-KKUMJFAQSA-N 1 0 313.486 2.466 10 0 DEAERO C[C@@H]1[C@@H]([NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CCN1C ZINC000719573794 1089318663 /nfs/dbraw/zinc/31/86/63/1089318663.db2.gz XNEFBUNOXNYLFB-KBXIAJHMSA-N 1 0 311.470 2.314 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCN1C ZINC000719608724 1089327478 /nfs/dbraw/zinc/32/74/78/1089327478.db2.gz HKUKWGKBOFHRSH-SWHYSGLUSA-N 1 0 313.239 2.165 10 0 DEAERO O=C(NC[C@H]1C[NH2+]CCC1(F)F)c1nc(Cl)ccc1Cl ZINC000717152505 1093735716 /nfs/dbraw/zinc/73/57/16/1093735716.db2.gz WDARORIKXDMXFM-SSDOTTSWSA-N 1 0 324.158 2.363 10 0 DEAERO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1CCCOC1 ZINC000724100000 1143949599 /nfs/dbraw/zinc/94/95/99/1143949599.db2.gz ASMJEEXFIFEINC-AEJSXWLSSA-N 1 0 305.287 2.340 10 0 DEAERO COCCOCCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389799145 1144609948 /nfs/dbraw/zinc/60/99/48/1144609948.db2.gz AVQTVUQNYXKZSM-SJLPKXTDSA-N 1 0 306.450 2.150 10 0 DEAERO CN(Cc1nccs1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000074545763 184995744 /nfs/dbraw/zinc/99/57/44/184995744.db2.gz DXQODVVVXAJZAX-CQSZACIVSA-N 1 0 303.431 2.274 10 0 DEAERO C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CCCn2ccnc21)C(C)(C)C ZINC000081764484 192321787 /nfs/dbraw/zinc/32/17/87/192321787.db2.gz PADQUUXSZUEPPT-ZIAGYGMSSA-N 1 0 306.454 2.243 10 0 DEAERO CC(C)CCOCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000138504489 282099514 /nfs/dbraw/zinc/09/95/14/282099514.db2.gz PBBFVRWSCQDJQA-UHFFFAOYSA-N 1 0 313.486 2.469 10 0 DEAERO CC[NH2+]Cc1ccc(Cl)cc1N1CCC(C(=O)NC)CC1 ZINC000162184391 197550968 /nfs/dbraw/zinc/55/09/68/197550968.db2.gz SFZAQTMFCQPQGE-UHFFFAOYSA-N 1 0 309.841 2.412 10 0 DEAERO CC[NH2+][C@@H](CSCC(=O)OC)c1ccc(OC)c(OC)c1 ZINC000081793988 192324953 /nfs/dbraw/zinc/32/49/53/192324953.db2.gz SFCVQARMFPIUMS-LBPRGKRZSA-N 1 0 313.419 2.261 10 0 DEAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1Sc1nncn1C ZINC000081867077 192332609 /nfs/dbraw/zinc/33/26/09/192332609.db2.gz LGPYSURRWQUSSQ-KBPBESRZSA-N 1 0 304.419 2.191 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@H]1Sc1nc(CCC)cc(=O)[nH]1 ZINC000081864676 192333472 /nfs/dbraw/zinc/33/34/72/192333472.db2.gz GAXCOUYZNHXMOG-CHWSQXEVSA-N 1 0 311.451 2.384 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nnc(C)s1)OCCO2 ZINC000081873471 192333575 /nfs/dbraw/zinc/33/35/75/192333575.db2.gz JEUJHMGAVPTWCB-MNOVXSKESA-N 1 0 315.464 2.212 10 0 DEAERO CC[NH2+][C@H](CSc1n[nH]c(=O)n1C)c1ccc(C)c(C)c1 ZINC000081880587 192333769 /nfs/dbraw/zinc/33/37/69/192333769.db2.gz LYYJCISWCGYZOW-CYBMUJFWSA-N 1 0 306.435 2.168 10 0 DEAERO CC[C@@H](Sc1n[nH]c(=O)n1C1CC1)[C@@H]([NH3+])c1ccccc1 ZINC000081880283 192333821 /nfs/dbraw/zinc/33/38/21/192333821.db2.gz GUUFGUYFHDLEIW-OLZOCXBDSA-N 1 0 304.419 2.477 10 0 DEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1Sc1n[nH]c(=O)n1C(C)C ZINC000081879399 192333957 /nfs/dbraw/zinc/33/39/57/192333957.db2.gz VFTXRVJCLMTHTC-STQMWFEESA-N 1 0 304.419 2.130 10 0 DEAERO Cn1c(SC[C@@H]([NH3+])c2ccc3ccccc3c2)n[nH]c1=O ZINC000081881905 192334190 /nfs/dbraw/zinc/33/41/90/192334190.db2.gz CTTDXNCBFSQUNC-CYBMUJFWSA-N 1 0 300.387 2.054 10 0 DEAERO C[NH2+][C@@H](c1ccccc1)[C@H](C)Sc1n[nH]c(=O)n1C1CC1 ZINC000081880306 192334214 /nfs/dbraw/zinc/33/42/14/192334214.db2.gz CPUFKNDDIDYJPJ-GXFFZTMASA-N 1 0 304.419 2.348 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccn(C3CCCC3)n2)C1 ZINC000151474002 282117691 /nfs/dbraw/zinc/11/76/91/282117691.db2.gz VKGRQYZCBWYXKS-AWEZNQCLSA-N 1 0 319.453 2.139 10 0 DEAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1S(=O)(=O)CC(C)C ZINC000081928370 192339681 /nfs/dbraw/zinc/33/96/81/192339681.db2.gz PCWDPTSBIWXMLR-JKSUJKDBSA-N 1 0 311.447 2.341 10 0 DEAERO CC[NH+]1CCN(C(=O)/C=C/c2c(C)cc(OC)cc2C)CC1 ZINC000096755967 185386468 /nfs/dbraw/zinc/38/64/68/185386468.db2.gz RGXVRFFCMWWRQE-VOTSOKGWSA-N 1 0 302.418 2.489 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c(s2)CCCCC3)CCO1 ZINC000116786299 282126729 /nfs/dbraw/zinc/12/67/29/282126729.db2.gz BSXIRHBHULBJKW-CQSZACIVSA-N 1 0 322.474 2.420 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000163697325 197646482 /nfs/dbraw/zinc/64/64/82/197646482.db2.gz DXLFVSTWFLZKDU-ZWNOBZJWSA-N 1 0 305.802 2.044 10 0 DEAERO CCc1ccc(C[NH2+]C)cc1S(=O)(=O)N1CC[C@H](CC)C1 ZINC000163563455 197639236 /nfs/dbraw/zinc/63/92/36/197639236.db2.gz ZYRNRSLSYLDLOA-ZDUSSCGKSA-N 1 0 310.463 2.389 10 0 DEAERO [NH3+][C@H](c1ccc(F)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000163810796 197650902 /nfs/dbraw/zinc/65/09/02/197650902.db2.gz OSBDGHGXSQDCIE-GZMMTYOYSA-N 1 0 311.300 2.279 10 0 DEAERO Cc1nccn1CC[NH+]1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000077121756 185111084 /nfs/dbraw/zinc/11/10/84/185111084.db2.gz CYROAHQTIALBGQ-UHFFFAOYSA-N 1 0 320.387 2.288 10 0 DEAERO C[C@@H](C(=O)NCc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000164440357 197654099 /nfs/dbraw/zinc/65/40/99/197654099.db2.gz CIOYVZAIBYUZPO-MRVPVSSYSA-N 1 0 315.186 2.060 10 0 DEAERO C[C@H]([NH3+])CCCCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936061 192342432 /nfs/dbraw/zinc/34/24/32/192342432.db2.gz QKYTZBHUJZSKQM-LBPRGKRZSA-N 1 0 313.419 2.139 10 0 DEAERO CC[NH2+][C@H](CCN(CCO)CCOC)c1ccc(Cl)cc1 ZINC000164657907 197659500 /nfs/dbraw/zinc/65/95/00/197659500.db2.gz QYYDCLTUSSFSEG-MRXNPFEDSA-N 1 0 314.857 2.321 10 0 DEAERO CCCS(=O)(=O)[C@@H]1CCc2cc(OC)ccc2[C@H]1[NH2+]CC ZINC000081961494 192345045 /nfs/dbraw/zinc/34/50/45/192345045.db2.gz UPTNKQQTOLQYAY-HZPDHXFCSA-N 1 0 311.447 2.485 10 0 DEAERO C[C@@H]([NH3+])Cc1ccc(Cl)cc1-n1ccc(C(=O)N(C)C)n1 ZINC000164903727 197666301 /nfs/dbraw/zinc/66/63/01/197666301.db2.gz GDXCHWQYDCIZBQ-SNVBAGLBSA-N 1 0 306.797 2.117 10 0 DEAERO CCC[C@@H](CC[NH3+])CCC(=O)N[C@H](CC(C)C)C(=O)OC ZINC000079237535 185162168 /nfs/dbraw/zinc/16/21/68/185162168.db2.gz YWVOJMLGCIFECX-ZIAGYGMSSA-N 1 0 300.443 2.236 10 0 DEAERO NC(=[NH2+])c1cnc(Sc2ncccc2Br)cn1 ZINC000079444819 185172074 /nfs/dbraw/zinc/17/20/74/185172074.db2.gz RWXXPXAJUFEHCN-UHFFFAOYSA-N 1 0 310.180 2.069 10 0 DEAERO CC(C)(C)[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000079358427 185166844 /nfs/dbraw/zinc/16/68/44/185166844.db2.gz KOZYFDHIAPIBQW-CABCVRRESA-N 1 0 316.511 2.464 10 0 DEAERO CCC[NH2+]Cc1sc(CS(C)(=O)=O)nc1C(C)(C)C ZINC000082439817 185182774 /nfs/dbraw/zinc/18/27/74/185182774.db2.gz HGGXZXXFFZTIPH-UHFFFAOYSA-N 1 0 304.481 2.485 10 0 DEAERO COc1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cc1OC(F)F ZINC000079515645 185173784 /nfs/dbraw/zinc/17/37/84/185173784.db2.gz RJDWQFRWRWQANU-AWEZNQCLSA-N 1 0 300.305 2.377 10 0 DEAERO CC[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000189649451 529431142 /nfs/dbraw/zinc/43/11/42/529431142.db2.gz WTUJWTALHAQUKV-GXTWGEPZSA-N 1 0 322.371 2.024 10 0 DEAERO C[C@H]1CN(c2ccc(I)cc2)CCC[NH2+]1 ZINC000083092319 185212968 /nfs/dbraw/zinc/21/29/68/185212968.db2.gz RCUYPZFYYAZJMV-JTQLQIEISA-N 1 0 316.186 2.479 10 0 DEAERO COc1ccc(OC)c([C@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170826745 282180494 /nfs/dbraw/zinc/18/04/94/282180494.db2.gz VCMGRPNZBSMJFR-STQMWFEESA-N 1 0 321.421 2.110 10 0 DEAERO CCOC(=O)CC[N@@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000083402938 185222258 /nfs/dbraw/zinc/22/22/58/185222258.db2.gz SVLAOOOIWBWSOA-CYBMUJFWSA-N 1 0 307.390 2.446 10 0 DEAERO C[C@H](CCCO)N[C@H](C[NH3+])c1ccc(Br)s1 ZINC000087359078 185222568 /nfs/dbraw/zinc/22/25/68/185222568.db2.gz QHXZNZJRJOIJFA-RKDXNWHRSA-N 1 0 307.257 2.261 10 0 DEAERO CC(C)[C@@H](C[NH3+])NC(=O)c1ccc(F)cc1Br ZINC000087403541 185223742 /nfs/dbraw/zinc/22/37/42/185223742.db2.gz UHSONGXTFLXCQZ-LLVKDONJSA-N 1 0 303.175 2.301 10 0 DEAERO COc1ccc(Br)c(CN(C)C[C@@H](C)C(N)=[NH2+])c1 ZINC000087789226 185231973 /nfs/dbraw/zinc/23/19/73/185231973.db2.gz PNSACJABJGMCHA-SECBINFHSA-N 1 0 314.227 2.462 10 0 DEAERO CC(C)[C@H](C[NH3+])C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000087516365 185227415 /nfs/dbraw/zinc/22/74/15/185227415.db2.gz ANNPVKFNXNJSPV-LBPRGKRZSA-N 1 0 311.813 2.211 10 0 DEAERO C[NH2+]Cc1cnn(Cc2cc(OC)ccc2Br)c1 ZINC000087797474 185232205 /nfs/dbraw/zinc/23/22/05/185232205.db2.gz ODBOQRYCWZUCHB-UHFFFAOYSA-N 1 0 310.195 2.422 10 0 DEAERO CC1(C)CCCN(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000087658370 185229898 /nfs/dbraw/zinc/22/98/98/185229898.db2.gz OXNMGCWHFIOWCA-AWEZNQCLSA-N 1 0 302.484 2.361 10 0 DEAERO [NH3+]Cc1cccc(CS(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)c1 ZINC000087768841 185231416 /nfs/dbraw/zinc/23/14/16/185231416.db2.gz YYCIWYCMFTYRPB-CVEARBPZSA-N 1 0 308.447 2.240 10 0 DEAERO C[C@@H](CC[NH3+])S(=O)(=O)Cc1cccc(Br)c1 ZINC000088088247 185239504 /nfs/dbraw/zinc/23/95/04/185239504.db2.gz HBBIAJSUXNUGBE-VIFPVBQESA-N 1 0 306.225 2.101 10 0 DEAERO NNc1nc(NC[C@@H]2CCCCS2)c(Br)c[nH+]1 ZINC000087896226 185235762 /nfs/dbraw/zinc/23/57/62/185235762.db2.gz CILVBBOMICYFHC-ZETCQYMHSA-N 1 0 318.244 2.222 10 0 DEAERO CC[C@H]([NH3+])CS(=O)(=O)Cc1sccc1Br ZINC000088075218 185238770 /nfs/dbraw/zinc/23/87/70/185238770.db2.gz SZVUSAYLNFHGGG-ZETCQYMHSA-N 1 0 312.254 2.163 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000087816049 185232635 /nfs/dbraw/zinc/23/26/35/185232635.db2.gz TXTBAHVOFPRVIL-XHDPSFHLSA-N 1 0 304.415 2.322 10 0 DEAERO CN(C(=O)c1ccc2nc(N)sc2c1)[C@H]1CCC[N@H+](C)C1 ZINC000087847630 185233508 /nfs/dbraw/zinc/23/35/08/185233508.db2.gz PIBBJUULWZKQDL-NSHDSACASA-N 1 0 304.419 2.045 10 0 DEAERO C[C@@H](C[NH3+])C[S@](=O)Cc1ccc(F)cc1Br ZINC000088089540 185239457 /nfs/dbraw/zinc/23/94/57/185239457.db2.gz QJYNHQKPCHCRSH-ZKANADHPSA-N 1 0 308.216 2.432 10 0 DEAERO C[NH2+][C@H](c1cc(Cl)cnc1N)[C@@H]1COc2ccccc2O1 ZINC000087859522 185233886 /nfs/dbraw/zinc/23/38/86/185233886.db2.gz HSFAEDOILDYFRR-UONOGXRCSA-N 1 0 305.765 2.418 10 0 DEAERO C[C@@H]1CCCC[C@H]1Oc1nc(NN)[nH+]cc1Br ZINC000087878056 185234172 /nfs/dbraw/zinc/23/41/72/185234172.db2.gz DHKGPRYLLBKWPA-VXNVDRBHSA-N 1 0 301.188 2.482 10 0 DEAERO COc1ccccc1C[C@H](C)N(C)C(=O)[C@@H]([NH3+])CCSC ZINC000088200070 185241736 /nfs/dbraw/zinc/24/17/36/185241736.db2.gz MJFDGZBSFOINHH-JSGCOSHPSA-N 1 0 310.463 2.165 10 0 DEAERO COC(=O)CCN(CC(C)C)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088277338 185244710 /nfs/dbraw/zinc/24/47/10/185244710.db2.gz TYSYKNCYBQERBD-AWEZNQCLSA-N 1 0 300.443 2.045 10 0 DEAERO CCO[C@H](C[NH3+])CS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000088315629 185245266 /nfs/dbraw/zinc/24/52/66/185245266.db2.gz GWXIXRYNBVBWGR-MRVPVSSYSA-N 1 0 312.218 2.131 10 0 DEAERO CC[NH2+]C[C@H](C)Cn1cnc2ccc(Br)cc2c1=O ZINC000088452990 185251830 /nfs/dbraw/zinc/25/18/30/185251830.db2.gz XANCHGDKXYKRNK-JTQLQIEISA-N 1 0 324.222 2.405 10 0 DEAERO CC[C@@H](C[NH3+])S(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000088474046 185252128 /nfs/dbraw/zinc/25/21/28/185252128.db2.gz GIEWKYNGAVAZDI-HNNXBMFYSA-N 1 0 311.451 2.156 10 0 DEAERO C[C@@H](C[NH3+])S(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000088472084 185252361 /nfs/dbraw/zinc/25/23/61/185252361.db2.gz UOEYRELWLFSHNH-NSHDSACASA-N 1 0 302.399 2.347 10 0 DEAERO C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)N(C)CCC(F)(F)F ZINC000088417518 185249280 /nfs/dbraw/zinc/24/92/80/185249280.db2.gz UDDXCROBIXEHDS-SNVBAGLBSA-N 1 0 303.328 2.357 10 0 DEAERO CCCN[C@@H](CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000088435161 185249980 /nfs/dbraw/zinc/24/99/80/185249980.db2.gz CFXPJWHZVANBKL-RYUDHWBXSA-N 1 0 310.360 2.192 10 0 DEAERO COC(=O)[C@@](C)(N)CCCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088435182 185250087 /nfs/dbraw/zinc/25/00/87/185250087.db2.gz VNKCMPSHTDTLIG-AAEUAGOBSA-N 1 0 310.360 2.321 10 0 DEAERO CCOC(=O)[C@@](C)(N)CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088435289 185250310 /nfs/dbraw/zinc/25/03/10/185250310.db2.gz HTULHEIHQIXLOT-AAEUAGOBSA-N 1 0 310.360 2.321 10 0 DEAERO CC(C)[NH2+][C@](CO)(CN1CCC(C(F)(F)F)CC1)C1CC1 ZINC000088439706 185250758 /nfs/dbraw/zinc/25/07/58/185250758.db2.gz CLKMTYJPEORBHT-AWEZNQCLSA-N 1 0 308.388 2.400 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C)o1 ZINC000088544000 185256777 /nfs/dbraw/zinc/25/67/77/185256777.db2.gz TVNRLUYUZVPHKN-RYUDHWBXSA-N 1 0 300.424 2.198 10 0 DEAERO CCN(CC(C)C)S(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088543615 185256920 /nfs/dbraw/zinc/25/69/20/185256920.db2.gz AMHBTSDJRLZPKN-UHFFFAOYSA-N 1 0 302.440 2.444 10 0 DEAERO CC[NH2+][C@@H](Cc1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000088518994 185254629 /nfs/dbraw/zinc/25/46/29/185254629.db2.gz MMNSVIAJMLMZTC-AAEUAGOBSA-N 1 0 324.471 2.252 10 0 DEAERO C[C@H]1CCC[C@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000088539574 185255432 /nfs/dbraw/zinc/25/54/32/185255432.db2.gz GITUKNBNBGBCBB-NWDGAFQWSA-N 1 0 300.424 2.233 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH2+]C(C)(C)C)o2)C1 ZINC000088544034 185256696 /nfs/dbraw/zinc/25/66/96/185256696.db2.gz MAXNOVTYICIYES-LLVKDONJSA-N 1 0 300.424 2.198 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000088714105 185262855 /nfs/dbraw/zinc/26/28/55/185262855.db2.gz RTTBQTJAAOKGTD-LBPRGKRZSA-N 1 0 309.353 2.400 10 0 DEAERO C[C@@H]([NH3+])c1cc(Br)ccc1OCc1ncnn1C ZINC000088571759 185258263 /nfs/dbraw/zinc/25/82/63/185258263.db2.gz FNYNOVXKWLMSOM-MRVPVSSYSA-N 1 0 311.183 2.176 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1sc2ncccc2c1N ZINC000088643238 185261200 /nfs/dbraw/zinc/26/12/00/185261200.db2.gz IVFHVQDUMURRME-JTQLQIEISA-N 1 0 304.419 2.045 10 0 DEAERO CN1C(=O)Cc2ccc([C@H]([NH3+])CCC(F)(F)F)cc2C1=O ZINC000088833593 185266556 /nfs/dbraw/zinc/26/65/56/185266556.db2.gz OHUBYVULFPRCTP-LLVKDONJSA-N 1 0 300.280 2.184 10 0 DEAERO COc1ccccc1S(=O)(=O)[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000081987373 192350620 /nfs/dbraw/zinc/35/06/20/192350620.db2.gz XMSRLBLRZPUYLS-HOTGVXAUSA-N 1 0 303.383 2.094 10 0 DEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000090272241 185288691 /nfs/dbraw/zinc/28/86/91/185288691.db2.gz XPFVIMKNHIQLEW-XJKSGUPXSA-N 1 0 315.841 2.466 10 0 DEAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000090291400 185289696 /nfs/dbraw/zinc/28/96/96/185289696.db2.gz ZHCJBPJXTBMQLB-UHFFFAOYSA-N 1 0 310.463 2.211 10 0 DEAERO CCCN(C(=O)c1cc(F)cc(Br)c1)C1C[NH2+]C1 ZINC000090293063 185289746 /nfs/dbraw/zinc/28/97/46/185289746.db2.gz GZWWWVOUFFTWFT-UHFFFAOYSA-N 1 0 315.186 2.412 10 0 DEAERO Clc1cccc(CN2CCN(C3C[NH2+]C3)CC2)c1Cl ZINC000090306538 185290130 /nfs/dbraw/zinc/29/01/30/185290130.db2.gz YJSSKQIDCFYGOJ-UHFFFAOYSA-N 1 0 300.233 2.083 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000090335504 185291513 /nfs/dbraw/zinc/29/15/13/185291513.db2.gz ZXFDLSZONKZOQU-SFYZADRCSA-N 1 0 302.205 2.392 10 0 DEAERO CCCSc1nsc(NC(=O)CSC[C@H](C)C[NH3+])n1 ZINC000090350335 185292187 /nfs/dbraw/zinc/29/21/87/185292187.db2.gz MKUQOPWVZJNQOQ-MRVPVSSYSA-N 1 0 320.509 2.307 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1c1nc(CSc2ccc(Cl)cc2)no1 ZINC000090365063 185292791 /nfs/dbraw/zinc/29/27/91/185292791.db2.gz CTEPPMZYCDNDTI-GHMZBOCLSA-N 1 0 311.794 2.456 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000090379194 185293421 /nfs/dbraw/zinc/29/34/21/185293421.db2.gz ZRDGCLNFWHXERL-GMSGAONNSA-N 1 0 308.687 2.271 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000090379135 185293454 /nfs/dbraw/zinc/29/34/54/185293454.db2.gz VIFNGSBSLBGZCI-IMTBSYHQSA-N 1 0 308.687 2.271 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000090379195 185293532 /nfs/dbraw/zinc/29/35/32/185293532.db2.gz ZRDGCLNFWHXERL-OIBJUYFYSA-N 1 0 308.687 2.271 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000090431483 185295898 /nfs/dbraw/zinc/29/58/98/185295898.db2.gz NEPZJJLRRDBYFM-SCZZXKLOSA-N 1 0 311.794 2.123 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccccc1SC(F)F ZINC000090431542 185295968 /nfs/dbraw/zinc/29/59/68/185295968.db2.gz WDXFWDIPHDYRFZ-PSASIEDQSA-N 1 0 302.346 2.174 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000090435337 185296085 /nfs/dbraw/zinc/29/60/85/185296085.db2.gz RULBMYYOUKSIIR-NWANDNLSSA-N 1 0 308.809 2.238 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1CN(C)Cc1ccc(Br)cc1 ZINC000090438770 185296679 /nfs/dbraw/zinc/29/66/79/185296679.db2.gz DIENTRPRFSQUPT-JSGCOSHPSA-N 1 0 313.239 2.115 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090580355 185305017 /nfs/dbraw/zinc/30/50/17/185305017.db2.gz SUWDLYOSKDVZDN-WCQYABFASA-N 1 0 313.195 2.060 10 0 DEAERO Cc1cccc(Cl)c1NS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000090538200 185301741 /nfs/dbraw/zinc/30/17/41/185301741.db2.gz JPBJXKFKPWWTSK-NSHDSACASA-N 1 0 302.827 2.390 10 0 DEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)C1(OC)CCC(C)(C)CC1 ZINC000166809634 197698423 /nfs/dbraw/zinc/69/84/23/197698423.db2.gz FVDKMNKZYKXJEA-ZDUSSCGKSA-N 1 0 305.484 2.385 10 0 DEAERO C[C@@]1(c2nnc3c(Cl)cc(C(F)(F)F)cn32)COC[C@H]1[NH3+] ZINC000090573057 185304303 /nfs/dbraw/zinc/30/43/03/185304303.db2.gz SXZCFRIPFSVOCX-LDYMZIIASA-N 1 0 320.702 2.017 10 0 DEAERO COc1ccc(C(=O)N2CCCSC[C@H]2C[NH+](C)C)cc1 ZINC000090699820 185310384 /nfs/dbraw/zinc/31/03/84/185310384.db2.gz WGOUTKKINDBPSN-CQSZACIVSA-N 1 0 308.447 2.205 10 0 DEAERO O=C(c1ccccn1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700857 185310599 /nfs/dbraw/zinc/31/05/99/185310599.db2.gz XGPDIKUZOFIWEA-CQSZACIVSA-N 1 0 305.447 2.125 10 0 DEAERO Cc1cccc(CC(=O)N2CCCSC[C@H]2C[NH+](C)C)c1 ZINC000090699967 185310622 /nfs/dbraw/zinc/31/06/22/185310622.db2.gz JHUZJNUMXVOFMG-MRXNPFEDSA-N 1 0 306.475 2.433 10 0 DEAERO c1csc([C@H]2CSCCN2CCOC2CCOCC2)n1 ZINC000625332508 365733706 /nfs/dbraw/zinc/73/37/06/365733706.db2.gz VZEHFORLQNFXGN-CYBMUJFWSA-N 1 0 314.476 2.429 10 0 DEAERO NNc1cccc(CSc2nnc(C3CC3)n2C2CC2)[nH+]1 ZINC000092371953 185314282 /nfs/dbraw/zinc/31/42/82/185314282.db2.gz AEMFCCXDANPELG-UHFFFAOYSA-N 1 0 302.407 2.463 10 0 DEAERO CCCc1nnsc1C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000167369235 197708174 /nfs/dbraw/zinc/70/81/74/197708174.db2.gz IHNJDXNHBFMQJY-UHFFFAOYSA-N 1 0 302.403 2.389 10 0 DEAERO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CN1CCC([NH3+])CC1 ZINC000092714319 185335756 /nfs/dbraw/zinc/33/57/56/185335756.db2.gz OXXCSYHYUBDWDV-LBPRGKRZSA-N 1 0 309.841 2.283 10 0 DEAERO CSc1ccc([C@@H](C)NC(=O)CN2CCC([NH3+])CC2)cc1 ZINC000092713850 185335763 /nfs/dbraw/zinc/33/57/63/185335763.db2.gz YLUDVHYLBMUYKN-GFCCVEGCSA-N 1 0 307.463 2.009 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)ccc1F ZINC000092833296 185344813 /nfs/dbraw/zinc/34/48/13/185344813.db2.gz NRVYKDBBKFZXLQ-UHFFFAOYSA-N 1 0 314.426 2.258 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)c(C)o1 ZINC000092833264 185344847 /nfs/dbraw/zinc/34/48/47/185344847.db2.gz ULLGVLOWXMXZKF-UHFFFAOYSA-N 1 0 300.424 2.020 10 0 DEAERO CCCCS(=O)(=O)[C@@H]1Cc2ccc(OC)cc2[C@@H]1[NH2+]CC ZINC000092859228 185346797 /nfs/dbraw/zinc/34/67/97/185346797.db2.gz PVEDLYBVEIVFTI-CVEARBPZSA-N 1 0 311.447 2.485 10 0 DEAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000092953381 185350446 /nfs/dbraw/zinc/35/04/46/185350446.db2.gz YFRORTZCQHQGPJ-GHMZBOCLSA-N 1 0 304.781 2.462 10 0 DEAERO Cc1cc(C[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)ccc1S(C)(=O)=O ZINC000095413095 185358012 /nfs/dbraw/zinc/35/80/12/185358012.db2.gz BYVQXGCEJBHBSS-HOCLYGCPSA-N 1 0 324.490 2.217 10 0 DEAERO COC[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(F)c(F)c1 ZINC000181445059 199297830 /nfs/dbraw/zinc/29/78/30/199297830.db2.gz ORFWZVDVNZDUCX-SWLSCSKDSA-N 1 0 317.376 2.418 10 0 DEAERO CCC(CC)[C@H](O)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000111826633 282280047 /nfs/dbraw/zinc/28/00/47/282280047.db2.gz WUHVVOFGORXEPP-HUUCEWRRSA-N 1 0 301.475 2.059 10 0 DEAERO O=S1(=O)CC[C@@H]([NH2+]CC[C@@H]2CCCO2)c2cc(F)ccc21 ZINC000038096085 539335600 /nfs/dbraw/zinc/33/56/00/539335600.db2.gz JZAHRYHFZGBOCV-GXTWGEPZSA-N 1 0 313.394 2.203 10 0 DEAERO CC(C)[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181551853 199316232 /nfs/dbraw/zinc/31/62/32/199316232.db2.gz OWVPIHHAWMTOKQ-YOEHRIQHSA-N 1 0 319.449 2.097 10 0 DEAERO c1ccc2c(c1)C[C@H]1C[N@H+](CCOC3CCOCC3)CCCN21 ZINC000625433680 365782402 /nfs/dbraw/zinc/78/24/02/365782402.db2.gz PUXSOYBWFZHDBC-KRWDZBQOSA-N 1 0 316.445 2.319 10 0 DEAERO Brc1ccc(CN2CCC[NH2+][C@@H](C3CC3)C2)nc1 ZINC000168863663 197730610 /nfs/dbraw/zinc/73/06/10/197730610.db2.gz LKTFNPQEBMVVOA-CQSZACIVSA-N 1 0 310.239 2.418 10 0 DEAERO Cn1cnnc1Sc1cccc(Br)c1C(N)=[NH2+] ZINC000169019253 197732514 /nfs/dbraw/zinc/73/25/14/197732514.db2.gz SCQNIHIUTRPCOE-UHFFFAOYSA-N 1 0 312.196 2.013 10 0 DEAERO CC1(C)[C@H]([NH2+]CCNC(=O)c2ccccc2)[C@H]2CCCO[C@@H]21 ZINC000181615052 199327805 /nfs/dbraw/zinc/32/78/05/199327805.db2.gz NSWHWHHAANLMOC-OAGGEKHMSA-N 1 0 302.418 2.210 10 0 DEAERO O=C(C[N@H+]1CCCC[C@H]1CCO)NC12CC3CC(CC(C3)C1)C2 ZINC000072951466 539347339 /nfs/dbraw/zinc/34/73/39/539347339.db2.gz LEXOHHYOZGNNLC-WCWCZOKXSA-N 1 0 320.477 2.308 10 0 DEAERO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000097093387 185408451 /nfs/dbraw/zinc/40/84/51/185408451.db2.gz BWDTWHYSGUOVRQ-ONGXEEELSA-N 1 0 309.797 2.108 10 0 DEAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1coc(Br)c1 ZINC000078595740 539368470 /nfs/dbraw/zinc/36/84/70/539368470.db2.gz VMGOHKUSTSNQIM-SECBINFHSA-N 1 0 313.195 2.256 10 0 DEAERO COC(=O)CC1(CC(=O)N2CCC([NH+](C)C)CC2)CCCC1 ZINC000189080901 282307298 /nfs/dbraw/zinc/30/72/98/282307298.db2.gz SYBQJHYIBVYMBG-UHFFFAOYSA-N 1 0 310.438 2.053 10 0 DEAERO O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)N1CCC([NH2+]CC2CC2)CC1 ZINC000333577388 282961825 /nfs/dbraw/zinc/96/18/25/282961825.db2.gz NEAXVDCNAPTZKT-GVDBMIGSSA-N 1 0 321.465 2.118 10 0 DEAERO CC(C)(C)c1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)s1 ZINC000189709922 282316227 /nfs/dbraw/zinc/31/62/27/282316227.db2.gz IHRHDXRYCHBURS-UHFFFAOYSA-N 1 0 316.492 2.027 10 0 DEAERO CN(CC1CCCCC1)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000048996101 190677317 /nfs/dbraw/zinc/67/73/17/190677317.db2.gz PQIUXIXMBSWZQY-UHFFFAOYSA-N 1 0 316.492 2.450 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cccnc2OC)C[C@H]1CC ZINC000193336546 282347863 /nfs/dbraw/zinc/34/78/63/282347863.db2.gz ZOBCSHCGDCELIG-MRXNPFEDSA-N 1 0 307.438 2.023 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)COc1ccc(Cl)cc1 ZINC000085985922 539402119 /nfs/dbraw/zinc/40/21/19/539402119.db2.gz JFTJSPCVOJCPCS-BJJXKVORSA-N 1 0 313.825 2.220 10 0 DEAERO C[C@@H](O)CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000085990415 539402979 /nfs/dbraw/zinc/40/29/79/539402979.db2.gz QDHVGDKGTDLCQY-ZJUUUORDSA-N 1 0 308.205 2.094 10 0 DEAERO C[C@@H]1CCC[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000086889419 539404393 /nfs/dbraw/zinc/40/43/93/539404393.db2.gz UTIZZWIQRUGVJH-HIFRSBDPSA-N 1 0 310.463 2.435 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(c3ncnc4c3ncn4C3CC3)CC[C@H]21 ZINC000292647874 530065042 /nfs/dbraw/zinc/06/50/42/530065042.db2.gz GJQCVXLVFMQUKM-GXTWGEPZSA-N 1 0 312.421 2.082 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089457433 539412103 /nfs/dbraw/zinc/41/21/03/539412103.db2.gz PHYKPZYMSHYIFO-GXSJLCMTSA-N 1 0 315.211 2.376 10 0 DEAERO Cc1noc(CCCC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000107667196 185487628 /nfs/dbraw/zinc/48/76/28/185487628.db2.gz VJLSVDBDNQJCDL-HNNXBMFYSA-N 1 0 320.437 2.178 10 0 DEAERO CCOC1CC[NH+](Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000091677207 539420918 /nfs/dbraw/zinc/42/09/18/539420918.db2.gz UUYYLUSPEFNXTI-UHFFFAOYSA-N 1 0 307.390 2.467 10 0 DEAERO Cc1ccnn1-c1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000333786643 282965520 /nfs/dbraw/zinc/96/55/20/282965520.db2.gz FLEZNNWXXTWLMS-UHFFFAOYSA-N 1 0 310.401 2.149 10 0 DEAERO COc1cc(C[NH2+]CC2(CO)CC2)cc(Br)c1O ZINC000118906979 539442522 /nfs/dbraw/zinc/44/25/22/539442522.db2.gz MXIXUFPOVXOBFC-UHFFFAOYSA-N 1 0 316.195 2.025 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(F)c(F)c1 ZINC000245423466 282386583 /nfs/dbraw/zinc/38/65/83/282386583.db2.gz JLWKSMBCUORTQX-KGLIPLIRSA-N 1 0 323.387 2.462 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000245433267 282387744 /nfs/dbraw/zinc/38/77/44/282387744.db2.gz PPSCZMYYISXHFA-CJNGLKHVSA-N 1 0 320.481 2.158 10 0 DEAERO CC(C)[C@H]1N(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@]12CCCO2 ZINC000333789809 282966219 /nfs/dbraw/zinc/96/62/19/282966219.db2.gz GAEBHJIMTFGHTR-YFHUEUNASA-N 1 0 323.481 2.351 10 0 DEAERO CN(Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1C[NH2+]CCO1 ZINC000125492384 539472910 /nfs/dbraw/zinc/47/29/10/539472910.db2.gz UCIAPVDKOUECEF-ZDUSSCGKSA-N 1 0 304.312 2.005 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(CCO)CCOC1)CCCO2 ZINC000125477647 539472608 /nfs/dbraw/zinc/47/26/08/539472608.db2.gz CYCPGQZTZYDUFY-WMZOPIPTSA-N 1 0 321.417 2.288 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000111268215 185568927 /nfs/dbraw/zinc/56/89/27/185568927.db2.gz WHBYYNXUNNVRTL-AAEUAGOBSA-N 1 0 300.324 2.433 10 0 DEAERO CCCn1cc(C[NH+]2CCC3(CC2)[C@H](OCC)C[C@@H]3O)cn1 ZINC000130241299 539494142 /nfs/dbraw/zinc/49/41/42/539494142.db2.gz VZIAHFAQIUGUBX-JKSUJKDBSA-N 1 0 307.438 2.045 10 0 DEAERO COCCN(c1cccc(Cl)c1CC[NH3+])[C@H](C)COC ZINC000111485703 185608241 /nfs/dbraw/zinc/60/82/41/185608241.db2.gz IUVBSSOMGACEOZ-GFCCVEGCSA-N 1 0 300.830 2.329 10 0 DEAERO CC(C)[C@@H]1N(C(=O)NCC2([NH3+])CCCCC2)C[C@]12CCCO2 ZINC000333794408 282967912 /nfs/dbraw/zinc/96/79/12/282967912.db2.gz GSLGSJSFBHQFDY-WMLDXEAASA-N 1 0 309.454 2.247 10 0 DEAERO C[NH+](C)CCCNC(=O)NCc1ccc(Br)cc1 ZINC000147768550 539522686 /nfs/dbraw/zinc/52/26/86/539522686.db2.gz OMOOGLHJEHEYRU-UHFFFAOYSA-N 1 0 314.227 2.200 10 0 DEAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)C2CCCCC2)C1 ZINC000111719480 185630720 /nfs/dbraw/zinc/63/07/20/185630720.db2.gz XMAZVASQAZSSNB-AWEZNQCLSA-N 1 0 302.484 2.361 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000153664295 539545524 /nfs/dbraw/zinc/54/55/24/539545524.db2.gz PKEPESCETBYIIJ-UHFFFAOYSA-N 1 0 304.438 2.139 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000155525704 539559544 /nfs/dbraw/zinc/55/95/44/539559544.db2.gz RVJKAQRQEHCGRU-RYUDHWBXSA-N 1 0 303.381 2.401 10 0 DEAERO C[NH2+]CCOCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000625827205 365918273 /nfs/dbraw/zinc/91/82/73/365918273.db2.gz QGIOFAUVSFPAIL-UHFFFAOYSA-N 1 0 306.193 2.351 10 0 DEAERO O=C(CC[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1)N1CCCC1 ZINC000123977082 185863708 /nfs/dbraw/zinc/86/37/08/185863708.db2.gz TYWJPXWPZWDDPM-AWEZNQCLSA-N 1 0 308.809 2.246 10 0 DEAERO CCN1C(=O)C[C@H]([NH3+])[C@H]1c1cc(Br)ccc1F ZINC000070293217 190878279 /nfs/dbraw/zinc/87/82/79/190878279.db2.gz NFLUMIUECCAVHL-CMPLNLGQSA-N 1 0 301.159 2.209 10 0 DEAERO CCOC(=O)c1c(NC(=O)CC[C@@H](C)[NH3+])sc2c1CCC2 ZINC000070317644 190880917 /nfs/dbraw/zinc/88/09/17/190880917.db2.gz BEHNDDWTMZJYTF-SECBINFHSA-N 1 0 310.419 2.479 10 0 DEAERO CC(C)[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(Br)o1 ZINC000070287502 190877320 /nfs/dbraw/zinc/87/73/20/190877320.db2.gz WPXVEHAFUUOTNQ-DGCLKSJQSA-N 1 0 317.227 2.412 10 0 DEAERO CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@@H]1CC[NH3+] ZINC000616586560 362894597 /nfs/dbraw/zinc/89/45/97/362894597.db2.gz XWCMEWYHUSWJJQ-ZDUSSCGKSA-N 1 0 320.437 2.161 10 0 DEAERO CC[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000070394307 190885298 /nfs/dbraw/zinc/88/52/98/190885298.db2.gz MFPQBCSOUAJQFJ-NSHDSACASA-N 1 0 300.399 2.238 10 0 DEAERO CC(C)(C)OC(=O)NCC[C@@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616692679 362911161 /nfs/dbraw/zinc/91/11/61/362911161.db2.gz LRDABXRJJMKGEO-CYBMUJFWSA-N 1 0 320.437 2.161 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCc2ccccc2[C@@H]1CCO ZINC000616691674 362911240 /nfs/dbraw/zinc/91/12/40/362911240.db2.gz IHYMFGOSBXPDBN-INIZCTEOSA-N 1 0 320.433 2.493 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccnc2)cc1F ZINC000181342784 539650869 /nfs/dbraw/zinc/65/08/69/539650869.db2.gz HDELLEUQJJFUNZ-ZDUSSCGKSA-N 1 0 301.365 2.496 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(C)s3)C2=O)n(C)n1 ZINC000080526678 192165127 /nfs/dbraw/zinc/16/51/27/192165127.db2.gz QCVUGCAKCVUGEI-CQSZACIVSA-N 1 0 318.446 2.384 10 0 DEAERO CC(C)N(C)C(=O)COc1ccc(C[NH3+])cc1Br ZINC000070580027 190907775 /nfs/dbraw/zinc/90/77/75/190907775.db2.gz CLTUJFFCWDPDLG-UHFFFAOYSA-N 1 0 315.211 2.153 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)c[nH]1 ZINC000083550449 192372411 /nfs/dbraw/zinc/37/24/11/192372411.db2.gz RNMMSMJOTSEJAI-GXSJLCMTSA-N 1 0 312.211 2.086 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cncc(Br)c1 ZINC000083550528 192372427 /nfs/dbraw/zinc/37/24/27/192372427.db2.gz DJSIFRIPTUMFCY-ZWNOBZJWSA-N 1 0 324.222 2.153 10 0 DEAERO C[NH2+]CC1CC(Oc2nccn3nc(C(F)(F)F)cc23)C1 ZINC000130158148 185942019 /nfs/dbraw/zinc/94/20/19/185942019.db2.gz WVOZEVDDXSGEPG-UHFFFAOYSA-N 1 0 300.284 2.125 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc(N)nc(Cl)c1 ZINC000083704131 192379863 /nfs/dbraw/zinc/37/98/63/192379863.db2.gz LDHWNCGPXUWOSH-ZYHUDNBSSA-N 1 0 308.813 2.016 10 0 DEAERO CC[C@H]1CN(Cc2cccc(OC)c2F)CC[N@@H+]1C[C@@H](C)O ZINC000192950787 539710517 /nfs/dbraw/zinc/71/05/17/539710517.db2.gz XQSIPOWJYXZJBV-HIFRSBDPSA-N 1 0 310.413 2.111 10 0 DEAERO C[C@H](CCc1ccc(O)cc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170827722 197831818 /nfs/dbraw/zinc/83/18/18/197831818.db2.gz GKZLHZBKGBUCRO-UKRRQHHQSA-N 1 0 305.422 2.059 10 0 DEAERO Cc1ccc(NC(=O)[C@@H](C)N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000193819047 539715356 /nfs/dbraw/zinc/71/53/56/539715356.db2.gz OFGBJFBPPIKLES-CYBMUJFWSA-N 1 0 307.413 2.487 10 0 DEAERO Cc1sc(Br)cc1[C@@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000084006097 192395762 /nfs/dbraw/zinc/39/57/62/192395762.db2.gz UKWKGDRVTCVDFX-XVKPBYJWSA-N 1 0 324.265 2.254 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000084271979 192419402 /nfs/dbraw/zinc/41/94/02/192419402.db2.gz FHPJXZGORDWXCM-BXKDBHETSA-N 1 0 318.236 2.350 10 0 DEAERO COc1cc2c(c(OC)c1)[C@@H](C[NH3+])N(Cc1nccs1)C2 ZINC000071683929 191007268 /nfs/dbraw/zinc/00/72/68/191007268.db2.gz KISZJZCOEHMVQR-GFCCVEGCSA-N 1 0 305.403 2.176 10 0 DEAERO [NH3+]CCCc1nc(CC(=O)N2CCc3ccccc3C2)cs1 ZINC000071695422 191008878 /nfs/dbraw/zinc/00/88/78/191008878.db2.gz AXOHKKAXVWSNTG-UHFFFAOYSA-N 1 0 315.442 2.162 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC(C)(C)c2ccncc2)C1 ZINC000245546223 539756804 /nfs/dbraw/zinc/75/68/04/539756804.db2.gz VDGFVNLGGODHGL-GDBMZVCRSA-N 1 0 318.465 2.387 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000245541809 539756850 /nfs/dbraw/zinc/75/68/50/539756850.db2.gz QTMKZHRKHJWDNW-GXTWGEPZSA-N 1 0 307.442 2.488 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(C2CC2)nc1 ZINC000245988781 539759970 /nfs/dbraw/zinc/75/99/70/539759970.db2.gz CWGIACVWMOZIRH-CABCVRRESA-N 1 0 315.421 2.445 10 0 DEAERO C[NH+](C)CC(C)(C)CN1C(=O)C2(CC2)N[C@@H]1c1cccs1 ZINC000138221227 186015174 /nfs/dbraw/zinc/01/51/74/186015174.db2.gz PYJGZUFYFFYXAR-ZDUSSCGKSA-N 1 0 307.463 2.299 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC3CC3)c2)[C@@H](C)C1 ZINC000246131488 539761259 /nfs/dbraw/zinc/76/12/59/539761259.db2.gz ZPKDVZCNGXXPTF-BBRMVZONSA-N 1 0 319.453 2.487 10 0 DEAERO CC[C@@H](C)N(C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138457507 186016952 /nfs/dbraw/zinc/01/69/52/186016952.db2.gz NPPFSHGPCIDVBN-SECBINFHSA-N 1 0 306.378 2.103 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)[C@@H](C)C2CC2)c1 ZINC000138517057 186017933 /nfs/dbraw/zinc/01/79/33/186017933.db2.gz YBXDTLLALLITNX-VIFPVBQESA-N 1 0 318.389 2.103 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000246510316 539764697 /nfs/dbraw/zinc/76/46/97/539764697.db2.gz QLEKGZYJACWPBA-RRFJBIMHSA-N 1 0 304.438 2.413 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c(C3([NH3+])CCCCCC3)nc21 ZINC000138156345 186014199 /nfs/dbraw/zinc/01/41/99/186014199.db2.gz GWSQKKLBEGEAAC-UHFFFAOYSA-N 1 0 307.419 2.475 10 0 DEAERO CCCn1ncnc1C[C@@H]([NH3+])c1ncccc1Br ZINC000140363924 186026956 /nfs/dbraw/zinc/02/69/56/186026956.db2.gz QILVMKLAHXPJAW-SNVBAGLBSA-N 1 0 310.199 2.088 10 0 DEAERO C[C@H]1C[NH2+]C[C@H]1c1nc(-c2ccc(Br)cn2)no1 ZINC000139806839 186023949 /nfs/dbraw/zinc/02/39/49/186023949.db2.gz CZZVZNHZSFCBBZ-IONNQARKSA-N 1 0 309.167 2.217 10 0 DEAERO CC[C@H](C[NH3+])Cc1nc(-c2ncccc2Br)no1 ZINC000139863318 186024296 /nfs/dbraw/zinc/02/42/96/186024296.db2.gz BZSZEYPEUZIGDZ-QMMMGPOBSA-N 1 0 311.183 2.422 10 0 DEAERO Cc1ccc([C@H]2N[C@H](CC(C)C)C(=O)N2CC[NH+](C)C)s1 ZINC000140032824 186025580 /nfs/dbraw/zinc/02/55/80/186025580.db2.gz QOBTUIVOHDKCPI-HIFRSBDPSA-N 1 0 309.479 2.463 10 0 DEAERO Cc1ccc([C@H](O)c2c(Cl)cnn2CC[NH+](C)C)c(C)n1 ZINC000140167255 186026210 /nfs/dbraw/zinc/02/62/10/186026210.db2.gz RCAXQVQILZGYPR-HNNXBMFYSA-N 1 0 308.813 2.192 10 0 DEAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCCNC(C)=O)c1 ZINC000142791595 186032480 /nfs/dbraw/zinc/03/24/80/186032480.db2.gz IUOIPTWCFODNPD-MRXNPFEDSA-N 1 0 306.406 2.367 10 0 DEAERO C[C@H]1OCC[C@]1(C[NH3+])N(C)Cc1csc(Br)c1 ZINC000147968853 186042293 /nfs/dbraw/zinc/04/22/93/186042293.db2.gz LZMNHQGHPUWZMI-BXKDBHETSA-N 1 0 319.268 2.449 10 0 DEAERO CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCC(F)F)cc1 ZINC000147896505 186042396 /nfs/dbraw/zinc/04/23/96/186042396.db2.gz CJDWGNGWSLERNB-JTQLQIEISA-N 1 0 306.378 2.291 10 0 DEAERO CC[C@H](C[NH3+])Cc1nc(-c2cncc(Br)c2)no1 ZINC000148018319 186042675 /nfs/dbraw/zinc/04/26/75/186042675.db2.gz ZDIFUOBYTQUIPV-QMMMGPOBSA-N 1 0 311.183 2.422 10 0 DEAERO [NH3+]C1(C(=O)NCc2cc(Br)ccc2F)CCC1 ZINC000148155519 186042842 /nfs/dbraw/zinc/04/28/42/186042842.db2.gz XDXHJPZMUATTNQ-UHFFFAOYSA-N 1 0 301.159 2.086 10 0 DEAERO Nc1ccc(SC[C@@H]2C[NH2+]CCO2)c(Br)c1 ZINC000148264912 186043784 /nfs/dbraw/zinc/04/37/84/186043784.db2.gz ZEAQAXRDHLYFCL-VIFPVBQESA-N 1 0 303.225 2.112 10 0 DEAERO Cc1ccc([C@@H]2N[C@@H](C)C(=O)N2CC[NH+]2CCCCC2)s1 ZINC000144040006 186033905 /nfs/dbraw/zinc/03/39/05/186033905.db2.gz OAGDDYYCMQNGJC-DZGCQCFKSA-N 1 0 307.463 2.361 10 0 DEAERO C[N@@H+]1CC[C@@H](N2C(=O)C3(CCCC3)N[C@H]2c2cccs2)C1 ZINC000145216736 186036731 /nfs/dbraw/zinc/03/67/31/186036731.db2.gz AURVSCRZHPLCDQ-TZMCWYRMSA-N 1 0 305.447 2.195 10 0 DEAERO O=C1[C@H]([NH2+]C2CC2)CCN1Cc1sccc1Br ZINC000148892295 186046288 /nfs/dbraw/zinc/04/62/88/186046288.db2.gz WACRYOGISLJHHC-SNVBAGLBSA-N 1 0 315.236 2.364 10 0 DEAERO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000148836565 186046429 /nfs/dbraw/zinc/04/64/29/186046429.db2.gz PJBTUDVUMGCCLX-GFCCVEGCSA-N 1 0 324.371 2.429 10 0 DEAERO O=C(NC1[C@H]2C[NH2+]C[C@@H]12)c1ccc(Br)c(Cl)c1 ZINC000148851071 186046449 /nfs/dbraw/zinc/04/64/49/186046449.db2.gz DRQJIUXTEDCZKT-OQJHAAMPSA-N 1 0 315.598 2.050 10 0 DEAERO CC(C)Oc1ccc(NC(=O)C[C@H]2COCC[NH2+]2)cc1Cl ZINC000149133072 186047890 /nfs/dbraw/zinc/04/78/90/186047890.db2.gz BUIXMXZOEIOODN-LBPRGKRZSA-N 1 0 312.797 2.444 10 0 DEAERO CCC[NH2+][C@@H](Cc1cn2ccsc2n1)[C@@H]1CSCCO1 ZINC000149252288 186048258 /nfs/dbraw/zinc/04/82/58/186048258.db2.gz FVDBFNLSPBQQKM-STQMWFEESA-N 1 0 311.476 2.439 10 0 DEAERO C[C@H](CS(=O)(=O)N(C)C1(C[NH3+])CCCC1)c1ccccc1 ZINC000149273026 186048561 /nfs/dbraw/zinc/04/85/61/186048561.db2.gz XMPFVGNAJZITLF-CQSZACIVSA-N 1 0 310.463 2.323 10 0 DEAERO C[C@H](CS(=O)(=O)N1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000149507254 186050281 /nfs/dbraw/zinc/05/02/81/186050281.db2.gz URHFKPHDTLSJMJ-GDBMZVCRSA-N 1 0 310.463 2.323 10 0 DEAERO C[NH2+]Cc1ccc(OCc2nncn2C)c(C(F)(F)F)c1 ZINC000150060456 186054166 /nfs/dbraw/zinc/05/41/66/186054166.db2.gz PFBPXAFTCRXAIZ-UHFFFAOYSA-N 1 0 300.284 2.132 10 0 DEAERO C[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000150024415 186054183 /nfs/dbraw/zinc/05/41/83/186054183.db2.gz JICSHWGWAJLLOQ-WDEREUQCSA-N 1 0 316.492 2.006 10 0 DEAERO [NH3+]CCc1sc([C@H]2CCS(=O)(=O)C2)nc1-c1ccccc1 ZINC000150326425 186056693 /nfs/dbraw/zinc/05/66/93/186056693.db2.gz YDYSMKFTDVTBRM-LBPRGKRZSA-N 1 0 322.455 2.213 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261699954 539787278 /nfs/dbraw/zinc/78/72/78/539787278.db2.gz IFRYOBHZVMVFLF-ZNMIVQPWSA-N 1 0 304.438 2.218 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1C ZINC000150805395 186067543 /nfs/dbraw/zinc/06/75/43/186067543.db2.gz LVDNGDBLRHXQQI-GOEBONIOSA-N 1 0 317.433 2.087 10 0 DEAERO C[C@H](NC(=O)c1coc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000269160096 539796681 /nfs/dbraw/zinc/79/66/81/539796681.db2.gz ARWSTNJAJRCAMV-DTWKUNHWSA-N 1 0 301.184 2.160 10 0 DEAERO COc1cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc(OC)c1C ZINC000155660621 186100558 /nfs/dbraw/zinc/10/05/58/186100558.db2.gz QIYOIQMQLCTZIM-TXEJJXNPSA-N 1 0 306.406 2.177 10 0 DEAERO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1c(C)onc1CC ZINC000155777302 186112004 /nfs/dbraw/zinc/11/20/04/186112004.db2.gz IMUAUROFSBUKLE-GFCCVEGCSA-N 1 0 312.414 2.024 10 0 DEAERO Cc1ccc(Br)c(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])c1 ZINC000163966817 186144007 /nfs/dbraw/zinc/14/40/07/186144007.db2.gz FMSDPADXUWQUGQ-YPMHNXCESA-N 1 0 313.195 2.060 10 0 DEAERO Cc1ccc(C[NH2+]CCc2nncn2C)c(Br)c1 ZINC000164036599 186146396 /nfs/dbraw/zinc/14/63/96/186146396.db2.gz XFVRUBAWTOWJQJ-UHFFFAOYSA-N 1 0 309.211 2.218 10 0 DEAERO [NH3+]CC1CN(c2ncc(Br)cc2Br)C1 ZINC000164081648 186148504 /nfs/dbraw/zinc/14/85/04/186148504.db2.gz VSERSIOVYFASQM-UHFFFAOYSA-N 1 0 321.016 2.002 10 0 DEAERO C[NH2+]C[C@@H]1CN(Cc2ccc(C)cc2Br)CCO1 ZINC000164126586 186149150 /nfs/dbraw/zinc/14/91/50/186149150.db2.gz PCKGNCPAUOFDIM-CYBMUJFWSA-N 1 0 313.239 2.178 10 0 DEAERO CCn1ncnc1Cn1cc(CC[NH3+])c2ccc(Cl)cc21 ZINC000164136746 186149838 /nfs/dbraw/zinc/14/98/38/186149838.db2.gz ZTLAZSMCUJJUDM-UHFFFAOYSA-N 1 0 303.797 2.456 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[S@@](=O)c1ccccc1 ZINC000155907113 186122459 /nfs/dbraw/zinc/12/24/59/186122459.db2.gz OXCHWMGOONADTG-QKVFXAPYSA-N 1 0 302.399 2.280 10 0 DEAERO Cc1ccc([S@](=O)CC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000155915389 186122800 /nfs/dbraw/zinc/12/28/00/186122800.db2.gz MANDDZRBFVTAIX-NRFANRHFSA-N 1 0 302.399 2.200 10 0 DEAERO COc1ccc(C[NH2+]C[C@@H](C)[S@](C)=O)c(Cl)c1OC ZINC000159619588 186131461 /nfs/dbraw/zinc/13/14/61/186131461.db2.gz NHMVXRLQTWPWKZ-AYLIAGHASA-N 1 0 305.827 2.214 10 0 DEAERO CC(C(=O)N(C)Cc1ccccc1Br)=C1C[NH2+]C1 ZINC000164145886 186150625 /nfs/dbraw/zinc/15/06/25/186150625.db2.gz PSIXEPNPWBIGBU-UHFFFAOYSA-N 1 0 309.207 2.327 10 0 DEAERO CCn1ncc(Br)c1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000164207687 186151716 /nfs/dbraw/zinc/15/17/16/186151716.db2.gz POSIFJREXSMGLN-SECBINFHSA-N 1 0 300.200 2.238 10 0 DEAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(C)cc1Br ZINC000164305901 186155008 /nfs/dbraw/zinc/15/50/08/186155008.db2.gz WEPGYCUKJGNYOG-ZIAGYGMSSA-N 1 0 313.239 2.349 10 0 DEAERO CCOC(=O)[C@H](C(=O)N[C@@H](C)C[NH+](CC)CC)C(C)(C)C ZINC000164322521 186155560 /nfs/dbraw/zinc/15/55/60/186155560.db2.gz HSWKOFQDMLSMQS-STQMWFEESA-N 1 0 300.443 2.058 10 0 DEAERO CC(C)COc1ncccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171480309 186166401 /nfs/dbraw/zinc/16/64/01/186166401.db2.gz CVZITVWXVHIMMJ-AWEZNQCLSA-N 1 0 303.406 2.037 10 0 DEAERO CCN(C)[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000171480664 186166708 /nfs/dbraw/zinc/16/67/08/186166708.db2.gz YVPUQXLFSCWYRA-GOSISDBHSA-N 1 0 315.461 2.376 10 0 DEAERO CC(C)c1csc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000177908813 186202899 /nfs/dbraw/zinc/20/28/99/186202899.db2.gz DRBFNAKXQUJLIN-GFCCVEGCSA-N 1 0 308.451 2.256 10 0 DEAERO O=C(NCc1ccc(F)c(Cl)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171906455 198006585 /nfs/dbraw/zinc/00/65/85/198006585.db2.gz OHQSNBXOXMNOTH-GFCCVEGCSA-N 1 0 311.788 2.469 10 0 DEAERO CC(C)n1ccnc1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000171933560 198010913 /nfs/dbraw/zinc/01/09/13/198010913.db2.gz LHFBJAWJAZMPIO-KRWDZBQOSA-N 1 0 319.497 2.066 10 0 DEAERO COc1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000172134756 198044708 /nfs/dbraw/zinc/04/47/08/198044708.db2.gz LLWPWRMMZISIMB-DZGCQCFKSA-N 1 0 303.406 2.073 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccc(F)cc1 ZINC000172134769 198045007 /nfs/dbraw/zinc/04/50/07/198045007.db2.gz SCEBJFQOFBHAHW-XJKSGUPXSA-N 1 0 305.397 2.246 10 0 DEAERO O=S1(=O)CC(CC[NH2+]Cc2cc(Br)cs2)C1 ZINC000309546497 539877160 /nfs/dbraw/zinc/87/71/60/539877160.db2.gz IIMVGAFNYVAEGY-UHFFFAOYSA-N 1 0 324.265 2.035 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cccn3Cc3ccccc3)C[C@@H]12 ZINC000309751933 539878211 /nfs/dbraw/zinc/87/82/11/539878211.db2.gz ZRKWZKNMNNHMPH-BRWVUGGUSA-N 1 0 309.413 2.346 10 0 DEAERO Cc1cc(C[NH2+]CC(=O)N2CCCC2)ccc1Br ZINC000072737443 191224714 /nfs/dbraw/zinc/22/47/14/191224714.db2.gz MEMKCGDKQPLPKG-UHFFFAOYSA-N 1 0 311.223 2.470 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]CC2(C)CCC2)CC(=O)N1C ZINC000330337596 539937551 /nfs/dbraw/zinc/93/75/51/539937551.db2.gz UEJYMWHGISARIQ-CZUORRHYSA-N 1 0 304.438 2.089 10 0 DEAERO C[C@H](C(=O)N1CCO[C@H](c2nccs2)C1)[NH+]1CCCCCC1 ZINC000173271719 198204203 /nfs/dbraw/zinc/20/42/03/198204203.db2.gz VWIUVSLIZUPZPT-KGLIPLIRSA-N 1 0 323.462 2.308 10 0 DEAERO O=C(Cc1noc([C@H]2CCC[N@@H+]2C2CCCC2)n1)N1CCCC1 ZINC000333233574 539953080 /nfs/dbraw/zinc/95/30/80/539953080.db2.gz VCKSZLOIEKCKRT-CQSZACIVSA-N 1 0 318.421 2.314 10 0 DEAERO Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000173365622 198207804 /nfs/dbraw/zinc/20/78/04/198207804.db2.gz FRHRQALAWKDYAU-OAHLLOKOSA-N 1 0 313.405 2.252 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)cc2F)CC[N@@H+]1C ZINC000173278772 198205573 /nfs/dbraw/zinc/20/55/73/198205573.db2.gz SQBDOYMHSQTRKW-CMPLNLGQSA-N 1 0 318.389 2.068 10 0 DEAERO CCc1cnc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000173513604 198222092 /nfs/dbraw/zinc/22/20/92/198222092.db2.gz LJSVGXBEBVPZPB-GFCCVEGCSA-N 1 0 308.451 2.085 10 0 DEAERO Cc1cc2cc(CNC(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)ccc2[nH]1 ZINC000333613091 539965683 /nfs/dbraw/zinc/96/56/83/539965683.db2.gz QVRYNHKFMDQFIP-GDBMZVCRSA-N 1 0 312.417 2.227 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000173598746 198231721 /nfs/dbraw/zinc/23/17/21/198231721.db2.gz STADQYKOLOOYPE-WBVHZDCISA-N 1 0 318.465 2.247 10 0 DEAERO Cc1cccc(O[C@@H](C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000173915642 198268425 /nfs/dbraw/zinc/26/84/25/198268425.db2.gz QOYWOEYJRQWUBV-LSDHHAIUSA-N 1 0 305.422 2.108 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCOc2cccc(F)c2)CC[N@@H+]1C ZINC000174046750 198285161 /nfs/dbraw/zinc/28/51/61/198285161.db2.gz QKUKEUZEGNXCIF-HIFRSBDPSA-N 1 0 323.412 2.329 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(CCSc2ccccc2F)CC1 ZINC000174080162 198289365 /nfs/dbraw/zinc/28/93/65/198289365.db2.gz BNHAKYUXOCGGMS-CQSZACIVSA-N 1 0 312.454 2.306 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)sc1C ZINC000292135787 222859482 /nfs/dbraw/zinc/85/94/82/222859482.db2.gz YGTPIUSLSTVCKF-AWEZNQCLSA-N 1 0 314.476 2.081 10 0 DEAERO Cc1ccc(O[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000174351730 198323670 /nfs/dbraw/zinc/32/36/70/198323670.db2.gz IBDTVXHGSFTBIT-GJZGRUSLSA-N 1 0 305.422 2.156 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000054147897 354454829 /nfs/dbraw/zinc/45/48/29/354454829.db2.gz LZECXEYYWQUAEM-WBMJQRKESA-N 1 0 315.417 2.105 10 0 DEAERO O=C([C@H]1CCC[N@H+](CCCc2ccccc2)C1)N1CCOCC1 ZINC000054994378 354480165 /nfs/dbraw/zinc/48/01/65/354480165.db2.gz QGURMEUHVABBQO-SFHVURJKSA-N 1 0 316.445 2.190 10 0 DEAERO CCCOc1ncccc1CNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000064767546 354672901 /nfs/dbraw/zinc/67/29/01/354672901.db2.gz IZEHICXPPVXTIO-HNNXBMFYSA-N 1 0 320.437 2.154 10 0 DEAERO CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000236818855 202024814 /nfs/dbraw/zinc/02/48/14/202024814.db2.gz WFVXBAHFFYCVIR-HUUCEWRRSA-N 1 0 303.406 2.235 10 0 DEAERO Cc1nn(C)c(C[NH2+][C@H]2COC(C)(C)C2)c1Br ZINC000396539587 540139005 /nfs/dbraw/zinc/13/90/05/540139005.db2.gz NSOYHLBZYFHAFB-SECBINFHSA-N 1 0 302.216 2.148 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415260660 540159555 /nfs/dbraw/zinc/15/95/55/540159555.db2.gz GBUUMRQICVZKNE-STQMWFEESA-N 1 0 304.394 2.061 10 0 DEAERO C[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1cccc(Cl)c1 ZINC000089519695 355535270 /nfs/dbraw/zinc/53/52/70/355535270.db2.gz UFUGILDQFYSDRK-LLVKDONJSA-N 1 0 302.827 2.026 10 0 DEAERO CC(C)C[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000077364592 191701091 /nfs/dbraw/zinc/70/10/91/191701091.db2.gz OEKCOZPPTSCDLW-HOTGVXAUSA-N 1 0 323.481 2.001 10 0 DEAERO Cc1ccc2nc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cn2c1 ZINC000097939162 355705648 /nfs/dbraw/zinc/70/56/48/355705648.db2.gz XEDNDFKMQXHACP-CQSZACIVSA-N 1 0 300.406 2.247 10 0 DEAERO CCN1CCO[C@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000113266803 355758995 /nfs/dbraw/zinc/75/89/95/355758995.db2.gz MZXDQKXXUAFCCI-CYBMUJFWSA-N 1 0 313.239 2.259 10 0 DEAERO C[C@@H](OCC1CC1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115417804 355768878 /nfs/dbraw/zinc/76/88/78/355768878.db2.gz SHJJOZCFRDBGNU-GFCCVEGCSA-N 1 0 308.397 2.319 10 0 DEAERO Cc1cccc(CNC(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000123906828 355807186 /nfs/dbraw/zinc/80/71/86/355807186.db2.gz JDRPMXVBXHCECT-UHFFFAOYSA-N 1 0 312.417 2.451 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000139475324 355877539 /nfs/dbraw/zinc/87/75/39/355877539.db2.gz LWQLOPABEZLHLI-ZDUSSCGKSA-N 1 0 312.417 2.330 10 0 DEAERO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)NC1CCCCC1 ZINC000128166689 355827644 /nfs/dbraw/zinc/82/76/44/355827644.db2.gz LPYHHBZIZFBWFU-HOTGVXAUSA-N 1 0 304.438 2.405 10 0 DEAERO C[C@]1(C[NH+](Cc2ccccc2)Cc2ccccc2)NC(=O)NC1=O ZINC000149755882 355919994 /nfs/dbraw/zinc/91/99/94/355919994.db2.gz WNEOEWOGCKRZSL-LJQANCHMSA-N 1 0 323.396 2.287 10 0 DEAERO Nc1c[nH+]ccc1NCc1nnc2ccc(-c3ccccc3)nn21 ZINC000139864632 355880798 /nfs/dbraw/zinc/88/07/98/355880798.db2.gz WPAXJCBHRJBZKY-UHFFFAOYSA-N 1 0 317.356 2.381 10 0 DEAERO Cc1ccsc1C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)[C@H](N(C)C)C1 ZINC000169782851 355983023 /nfs/dbraw/zinc/98/30/23/355983023.db2.gz UGKDUVSPINUSDE-UONOGXRCSA-N 1 0 319.478 2.403 10 0 DEAERO COc1ccc(OC(F)F)c(NC(=O)[C@]2(C)CCC[NH2+]2)c1 ZINC000079514451 191947049 /nfs/dbraw/zinc/94/70/49/191947049.db2.gz MSVGWXSUDSYZHL-AWEZNQCLSA-N 1 0 300.305 2.377 10 0 DEAERO C[NH2+][C@@H]1CCC(C)(C)C[C@H]1N1CCN(CC(F)(F)F)CC1 ZINC000079625613 191956493 /nfs/dbraw/zinc/95/64/93/191956493.db2.gz SOQRKQRGTZWINH-CHWSQXEVSA-N 1 0 307.404 2.333 10 0 DEAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccoc2)ncn1 ZINC000180572829 356053285 /nfs/dbraw/zinc/05/32/85/356053285.db2.gz OUEDEORRBBDWRD-TZMCWYRMSA-N 1 0 301.394 2.431 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)NCC2CCC(C)(C)CC2)CCO1 ZINC000179604415 356029527 /nfs/dbraw/zinc/02/95/27/356029527.db2.gz SCKGOVNSGKLXPQ-OAHLLOKOSA-N 1 0 311.470 2.175 10 0 DEAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000182272947 356118119 /nfs/dbraw/zinc/11/81/19/356118119.db2.gz LREGEHHJKJZUGF-MSOLQXFVSA-N 1 0 318.461 2.313 10 0 DEAERO Cc1csc(=O)n1CC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182282091 356119329 /nfs/dbraw/zinc/11/93/29/356119329.db2.gz PCHSCTUPEXFLLT-NSHDSACASA-N 1 0 306.387 2.298 10 0 DEAERO CC[C@@](C)(NS(=O)(=O)c1ccccc1C(F)(F)F)C(N)=[NH2+] ZINC000079799335 191973766 /nfs/dbraw/zinc/97/37/66/191973766.db2.gz LQACGVHOXGIPJE-LLVKDONJSA-N 1 0 323.340 2.088 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCCC2(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000181929433 356100586 /nfs/dbraw/zinc/10/05/86/356100586.db2.gz WOAJRLVDJZGCAQ-RBSFLKMASA-N 1 0 311.470 2.052 10 0 DEAERO Cc1ccc(NC(=O)C[N@H+](CC(N)=S)C2CCCC2)cc1 ZINC000080223168 192014071 /nfs/dbraw/zinc/01/40/71/192014071.db2.gz LYPJQZHGCHZCEA-UHFFFAOYSA-N 1 0 305.447 2.464 10 0 DEAERO C[C@H](C[NH2+][C@H](C)c1cccc(-n2cccn2)c1)CS(C)(=O)=O ZINC000183594701 356176653 /nfs/dbraw/zinc/17/66/53/356176653.db2.gz JMCKXVNBCFJCCL-ZIAGYGMSSA-N 1 0 321.446 2.204 10 0 DEAERO O=C1C[C@H]([NH2+][C@H]2CCCSC2)CN1CCOc1ccccc1 ZINC000183612467 356177663 /nfs/dbraw/zinc/17/76/63/356177663.db2.gz QAHPKIUNCHQSND-GJZGRUSLSA-N 1 0 320.458 2.152 10 0 DEAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCCn2ccnc2)CC1 ZINC000182743189 356143680 /nfs/dbraw/zinc/14/36/80/356143680.db2.gz KTGVXXMDDHZEDC-HNNXBMFYSA-N 1 0 306.454 2.146 10 0 DEAERO COC[C@H](C)C[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000188648006 356214741 /nfs/dbraw/zinc/21/47/41/356214741.db2.gz SPZWSDJXTGWVGA-UKRRQHHQSA-N 1 0 311.495 2.488 10 0 DEAERO CCC(CC)[C@@H](CNC(=O)Cc1ccccc1)[NH+]1CCOCC1 ZINC000193060226 356222382 /nfs/dbraw/zinc/22/23/82/356222382.db2.gz TXOUXDRQFRYFCM-GOSISDBHSA-N 1 0 318.461 2.482 10 0 DEAERO Cc1cccc(CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)n1 ZINC000184910874 356199958 /nfs/dbraw/zinc/19/99/58/356199958.db2.gz ZGFGHUCUQOHXTH-HNNXBMFYSA-N 1 0 304.438 2.454 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1n[nH]nc1-c1ccccc1 ZINC000194203583 356234767 /nfs/dbraw/zinc/23/47/67/356234767.db2.gz CJODEMNZIMYIFG-CQSZACIVSA-N 1 0 313.405 2.028 10 0 DEAERO CN(CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1F ZINC000195132302 356249895 /nfs/dbraw/zinc/24/98/95/356249895.db2.gz KEHNTYWNEQHWID-AWEZNQCLSA-N 1 0 322.428 2.045 10 0 DEAERO NC(=O)NC(=O)CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000195177148 356250940 /nfs/dbraw/zinc/25/09/40/356250940.db2.gz FIIKYEHEFXXNJC-CQSZACIVSA-N 1 0 309.797 2.356 10 0 DEAERO CC(C)([NH3+])COCC(=O)Nc1ccc(Br)cc1 ZINC000080801211 192192063 /nfs/dbraw/zinc/19/20/63/192192063.db2.gz NHRWMQJPHCSEEU-UHFFFAOYSA-N 1 0 301.184 2.142 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1OCC1([NH3+])CCCC1 ZINC000080838021 192194812 /nfs/dbraw/zinc/19/48/12/192194812.db2.gz PBWKLJDRDLRPEH-UHFFFAOYSA-N 1 0 312.435 2.024 10 0 DEAERO [NH3+]C[C@@H]1c2ccccc2CCN1c1ncc(Br)cn1 ZINC000227724638 356280186 /nfs/dbraw/zinc/28/01/86/356280186.db2.gz GTUROKVLBKGZOV-CYBMUJFWSA-N 1 0 319.206 2.302 10 0 DEAERO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@]1(CCO)CCOC1 ZINC000194916452 356247114 /nfs/dbraw/zinc/24/71/14/356247114.db2.gz KWGFLHUQHOPQAN-FUHWJXTLSA-N 1 0 305.418 2.451 10 0 DEAERO [NH3+]CCC(=O)Nc1ccc(Cl)cc1I ZINC000232212356 356285092 /nfs/dbraw/zinc/28/50/92/356285092.db2.gz CJKHCAIGZNOBJF-UHFFFAOYSA-N 1 0 324.549 2.232 10 0 DEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cncc(Br)c3)C[C@H]2C1 ZINC000398741944 283150057 /nfs/dbraw/zinc/15/00/57/283150057.db2.gz PSJFXYNHDUKTKK-YRGRVCCFSA-N 1 0 311.223 2.437 10 0 DEAERO CC[C@@H]1C[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)CCO1 ZINC000249746498 356331320 /nfs/dbraw/zinc/33/13/20/356331320.db2.gz ZUPNYWHPROCCAR-HZPDHXFCSA-N 1 0 313.825 2.328 10 0 DEAERO COC[C@H]1CC[N@H+](CCC(=O)Nc2ccc(N)cc2Cl)C1 ZINC000081042096 192218506 /nfs/dbraw/zinc/21/85/06/192218506.db2.gz FPXBQBRWMMWLPS-NSHDSACASA-N 1 0 311.813 2.219 10 0 DEAERO C[C@H]([NH2+]C[C@](C)(O)C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400751928 283158650 /nfs/dbraw/zinc/15/86/50/283158650.db2.gz VTSHWVLJVUSIFI-AHIWAGSCSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@@H]([NH2+]CCC1(CO)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447546 283156662 /nfs/dbraw/zinc/15/66/62/283156662.db2.gz NWWIBMYQSZVLIY-ZIAGYGMSSA-N 1 0 312.454 2.384 10 0 DEAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000400460066 283157127 /nfs/dbraw/zinc/15/71/27/283157127.db2.gz UGPNLICXDQDERL-KKUMJFAQSA-N 1 0 311.470 2.316 10 0 DEAERO Cc1nccn1CC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400458164 283157172 /nfs/dbraw/zinc/15/71/72/283157172.db2.gz SXVYDJLVBROAAS-HIFRSBDPSA-N 1 0 322.453 2.427 10 0 DEAERO C[C@H]([NH2+]CCN1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400509141 283157384 /nfs/dbraw/zinc/15/73/84/283157384.db2.gz KXBCIWMNDMAGEJ-LSDHHAIUSA-N 1 0 311.470 2.317 10 0 DEAERO CC(C)(C)OCC[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000308511315 356410432 /nfs/dbraw/zinc/41/04/32/356410432.db2.gz ICHXSZSWDLGLKJ-LBPRGKRZSA-N 1 0 301.814 2.484 10 0 DEAERO [NH3+]C[C@H]1CCO[C@@H]1c1ccc(I)cc1 ZINC000306209784 356402628 /nfs/dbraw/zinc/40/26/28/356402628.db2.gz IKALTLLNLJNROU-MWLCHTKSSA-N 1 0 303.143 2.328 10 0 DEAERO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1cc[nH]c1 ZINC000328655980 356466963 /nfs/dbraw/zinc/46/69/63/356466963.db2.gz YWUFTRXBCGGHKF-LBPRGKRZSA-N 1 0 304.419 2.032 10 0 DEAERO [NH3+]C[C@@H](c1c(Cl)cccc1Cl)N1CCn2cnnc2C1 ZINC000081533066 192285066 /nfs/dbraw/zinc/28/50/66/192285066.db2.gz IMVRLMXDRUYVCG-NSHDSACASA-N 1 0 312.204 2.101 10 0 DEAERO CNC(=O)C(C)(C)C[NH2+]Cc1ccsc1Br ZINC000389002719 356707257 /nfs/dbraw/zinc/70/72/57/356707257.db2.gz ZRMJAIQVXVRYIP-UHFFFAOYSA-N 1 0 305.241 2.372 10 0 DEAERO Brc1cccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404040291 356730647 /nfs/dbraw/zinc/73/06/47/356730647.db2.gz AUGHSUDASURWLE-KBPBESRZSA-N 1 0 311.223 2.012 10 0 DEAERO CN1CCO[C@@H](C[N@H+](C)Cc2cccc(Br)c2)C1 ZINC000404170562 356731747 /nfs/dbraw/zinc/73/17/47/356731747.db2.gz NRPQAONHKCTZSS-CQSZACIVSA-N 1 0 313.239 2.212 10 0 DEAERO CC(C)C(=O)NCC[NH2+]Cc1ccsc1Br ZINC000393062213 356712649 /nfs/dbraw/zinc/71/26/49/356712649.db2.gz RKQVTKUALUUMFJ-UHFFFAOYSA-N 1 0 305.241 2.372 10 0 DEAERO CCOCC[C@@H](O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000578875897 356885420 /nfs/dbraw/zinc/88/54/20/356885420.db2.gz BYHPZAKIBIHVHM-LSDHHAIUSA-N 1 0 315.454 2.218 10 0 DEAERO Cc1cc2c(cc1C)[C@H](C(=O)N1CCC(CC[NH3+])CC1)CO2 ZINC000579122810 356926394 /nfs/dbraw/zinc/92/63/94/356926394.db2.gz BZRBROZJULERHF-MRXNPFEDSA-N 1 0 302.418 2.367 10 0 DEAERO [NH3+]Cc1cccc(CS(=O)(=O)N2CCc3sccc3C2)c1 ZINC000088914460 192655125 /nfs/dbraw/zinc/65/51/25/192655125.db2.gz GRBUQJYHBRRYME-UHFFFAOYSA-N 1 0 322.455 2.095 10 0 DEAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(CCC[NH3+])cc2)C1 ZINC000088919089 192657551 /nfs/dbraw/zinc/65/75/51/192657551.db2.gz OOWGCKPIYMWFLG-ZIAGYGMSSA-N 1 0 310.463 2.245 10 0 DEAERO C[NH2+]Cc1ccc(CS(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000088926289 192660252 /nfs/dbraw/zinc/66/02/52/192660252.db2.gz WNSWGRMNADLKGC-ZIAGYGMSSA-N 1 0 310.463 2.499 10 0 DEAERO c1ccc(COC2CC([NH2+]Cc3nnc4n3CCCC4)C2)cc1 ZINC000581405602 357180757 /nfs/dbraw/zinc/18/07/57/357180757.db2.gz KSZIPALHXNZMQA-UHFFFAOYSA-N 1 0 312.417 2.452 10 0 DEAERO CC(C)[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@@H]2C)ccc1F ZINC000088972568 192676105 /nfs/dbraw/zinc/67/61/05/192676105.db2.gz RXBJUXLIFCCNDB-LBPRGKRZSA-N 1 0 314.426 2.497 10 0 DEAERO CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(OC)cc1CC[NH3+] ZINC000088964182 192672997 /nfs/dbraw/zinc/67/29/97/192672997.db2.gz UMZQZZYIKBXEPZ-GFCCVEGCSA-N 1 0 314.451 2.006 10 0 DEAERO CCCCC[C@H](C)NS(=O)(=O)c1n[nH]cc1C[NH2+]C(C)C ZINC000088998261 192689567 /nfs/dbraw/zinc/68/95/67/192689567.db2.gz WSUSVXJPDWPLIT-LBPRGKRZSA-N 1 0 316.471 2.155 10 0 DEAERO CCc1n[nH]cc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000589111038 357443778 /nfs/dbraw/zinc/44/37/78/357443778.db2.gz VBYNWZCSTHUURE-STQMWFEESA-N 1 0 306.454 2.458 10 0 DEAERO O[C@@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000590599664 357564249 /nfs/dbraw/zinc/56/42/49/357564249.db2.gz CJVXTLYOEIWOKT-GDBMZVCRSA-N 1 0 319.401 2.420 10 0 DEAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000590811847 357617671 /nfs/dbraw/zinc/61/76/71/357617671.db2.gz MUHFEGWABBMLLP-QGZVFWFLSA-N 1 0 314.429 2.347 10 0 DEAERO NC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000042306758 283296886 /nfs/dbraw/zinc/29/68/86/283296886.db2.gz KFHGONWINTZRCE-UHFFFAOYSA-N 1 0 312.211 2.082 10 0 DEAERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)[NH+](C)C ZINC000179334198 199017359 /nfs/dbraw/zinc/01/73/59/199017359.db2.gz DSWZTXKXPVMMSM-BBRMVZONSA-N 1 0 315.421 2.175 10 0 DEAERO Cc1ccc(N2CCC[N@H+](Cc3cnn4ccccc34)CC2)nn1 ZINC000179494747 199045767 /nfs/dbraw/zinc/04/57/67/199045767.db2.gz XJKQUQJVZASVQC-UHFFFAOYSA-N 1 0 322.416 2.145 10 0 DEAERO COC(=O)c1cncc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000179561188 199055102 /nfs/dbraw/zinc/05/51/02/199055102.db2.gz IEQQPHZJFBKUCB-OAHLLOKOSA-N 1 0 319.405 2.317 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)COCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000180189371 199128868 /nfs/dbraw/zinc/12/88/68/199128868.db2.gz PHYXNWUAXOBZEK-OCCSQVGLSA-N 1 0 316.323 2.127 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000180501022 199168468 /nfs/dbraw/zinc/16/84/68/199168468.db2.gz GUDSZHJXTBYUDY-YPMHNXCESA-N 1 0 302.426 2.109 10 0 DEAERO CC[C@@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1cnn(C)c1 ZINC000180508224 199169297 /nfs/dbraw/zinc/16/92/97/199169297.db2.gz MLFOWRQBKFPXIR-UONOGXRCSA-N 1 0 302.426 2.191 10 0 DEAERO COc1ccc(C[C@@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OC ZINC000180703769 199199321 /nfs/dbraw/zinc/19/93/21/199199321.db2.gz JTTGQGZAPDCNMF-UKRRQHHQSA-N 1 0 320.433 2.045 10 0 DEAERO CCCCNC(=O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180659361 199192781 /nfs/dbraw/zinc/19/27/81/199192781.db2.gz GBIMTKFOAUNTEO-CQSZACIVSA-N 1 0 300.406 2.439 10 0 DEAERO CC(C)C[NH+]1CCN(C(=O)NCc2ccc(Cl)cn2)CC1 ZINC000180845240 199217038 /nfs/dbraw/zinc/21/70/38/199217038.db2.gz FKAYCEPCPZOEMG-UHFFFAOYSA-N 1 0 310.829 2.218 10 0 DEAERO C[C@@H](CNC(=O)NCc1ccc(Cl)cn1)C[NH+]1CCCC1 ZINC000180895312 199224974 /nfs/dbraw/zinc/22/49/74/199224974.db2.gz JHLNCXCBBOYJQB-LBPRGKRZSA-N 1 0 310.829 2.266 10 0 DEAERO CC(=O)[C@@](C)(O)C[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000595719414 358532533 /nfs/dbraw/zinc/53/25/33/358532533.db2.gz UGUKMQIQSWFYHP-KRWDZBQOSA-N 1 0 313.438 2.160 10 0 DEAERO COc1cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc2c1OCCO2 ZINC000181094361 199251564 /nfs/dbraw/zinc/25/15/64/199251564.db2.gz QUASEJRATYKPGH-GJZGRUSLSA-N 1 0 321.417 2.449 10 0 DEAERO CSC1(C[NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000597237791 358864382 /nfs/dbraw/zinc/86/43/82/358864382.db2.gz IJUNXGNRSDOWCB-QGZVFWFLSA-N 1 0 319.518 2.288 10 0 DEAERO CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000089014810 192700148 /nfs/dbraw/zinc/70/01/48/192700148.db2.gz JGVHCZFTEARTEE-UHFFFAOYSA-N 1 0 312.341 2.249 10 0 DEAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)Nc1cccc(OC)c1 ZINC000186323903 199942941 /nfs/dbraw/zinc/94/29/41/199942941.db2.gz QLDVEONESAEXAM-QGZVFWFLSA-N 1 0 320.389 2.051 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])Cc2ccccn2)c1Br ZINC000089326845 192768373 /nfs/dbraw/zinc/76/83/73/192768373.db2.gz ADJWVWRQEFHXDK-SNVBAGLBSA-N 1 0 323.238 2.253 10 0 DEAERO Cc1csc([C@H](C)CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000186806355 200013978 /nfs/dbraw/zinc/01/39/78/200013978.db2.gz QNZJRGLHJUZICK-DGCLKSJQSA-N 1 0 308.451 2.045 10 0 DEAERO C[N@H+](CC1(CO)CC1)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000186764183 200006651 /nfs/dbraw/zinc/00/66/51/200006651.db2.gz HMLFRNBJIQMAEO-HNNXBMFYSA-N 1 0 306.381 2.025 10 0 DEAERO C[C@H]1CN(C(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000089710309 192848785 /nfs/dbraw/zinc/84/87/85/192848785.db2.gz VXGAWXZMVWZRLE-KWQFWETISA-N 1 0 302.205 2.411 10 0 DEAERO C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1nccs1 ZINC000186998020 200045536 /nfs/dbraw/zinc/04/55/36/200045536.db2.gz IIEIEXAHELYGTR-FRRDWIJNSA-N 1 0 308.451 2.125 10 0 DEAERO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCc3ncnn3C2)cc1F ZINC000187295359 200090013 /nfs/dbraw/zinc/09/00/13/200090013.db2.gz XAWZMMDJXKYHRJ-OCCSQVGLSA-N 1 0 318.396 2.209 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000187795960 200158551 /nfs/dbraw/zinc/15/85/51/200158551.db2.gz DXBDMFAUKWNXHS-HNNXBMFYSA-N 1 0 311.433 2.495 10 0 DEAERO C[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)C[C@@H]1CCCO1 ZINC000187816800 200160856 /nfs/dbraw/zinc/16/08/56/200160856.db2.gz PVMMTQGREUXNML-KBPBESRZSA-N 1 0 304.390 2.018 10 0 DEAERO CCC[C@H](C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)[NH+](C)C ZINC000187690273 200144940 /nfs/dbraw/zinc/14/49/40/200144940.db2.gz ZEQBVCSXCAYLPD-SOUVJXGZSA-N 1 0 310.463 2.013 10 0 DEAERO Cc1nccnc1[C@@H](C)[NH2+]CCCNC(=O)c1cccs1 ZINC000188197185 200207771 /nfs/dbraw/zinc/20/77/71/200207771.db2.gz QRJWKFIMWDPADR-LLVKDONJSA-N 1 0 304.419 2.317 10 0 DEAERO O=C(NCC1(c2ccccc2)CCCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188286970 200222179 /nfs/dbraw/zinc/22/21/79/200222179.db2.gz SWOFAVJUWBQTBK-UHFFFAOYSA-N 1 0 324.428 2.297 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000189076062 200344469 /nfs/dbraw/zinc/34/44/69/200344469.db2.gz HDZNEQFKFRAUIL-RCBQFDQVSA-N 1 0 308.397 2.360 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)C(=O)c2ccccc2)C1 ZINC000602103551 360266399 /nfs/dbraw/zinc/26/63/99/360266399.db2.gz FYVBTJGNTCLADZ-CABCVRRESA-N 1 0 302.418 2.354 10 0 DEAERO Cc1ccc([C@H](CO)C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000006071101 181310596 /nfs/dbraw/zinc/31/05/96/181310596.db2.gz XFKXNUIIWKUVFV-WFVVYAPDSA-N 1 0 303.402 2.239 10 0 DEAERO O[C@H]([C@@H]1CCCC[N@@H+]1CCO[C@@H]1CCCCO1)C(F)(F)F ZINC000444665583 238234171 /nfs/dbraw/zinc/23/41/71/238234171.db2.gz QNYGJVCBTVKQEO-YNEHKIRRSA-N 1 0 311.344 2.307 10 0 DEAERO CCOc1cc2[nH+]ccc(N3CC(CO)C3)c2cc1OCC ZINC000192180103 200831884 /nfs/dbraw/zinc/83/18/84/200831884.db2.gz LAIKVRCVIFQOLK-UHFFFAOYSA-N 1 0 302.374 2.461 10 0 DEAERO Cc1nn(C)c(C)c1NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444948434 238363254 /nfs/dbraw/zinc/36/32/54/238363254.db2.gz DHCCQHJJOROOOM-UHFFFAOYSA-N 1 0 307.442 2.280 10 0 DEAERO c1cn(-c2cc(N3CCCC[C@@H]([NH+]4CCCC4)C3)ncn2)cn1 ZINC000607145796 361072508 /nfs/dbraw/zinc/07/25/08/361072508.db2.gz ZQBCCQZGNWZIHD-OAHLLOKOSA-N 1 0 312.421 2.117 10 0 DEAERO O[C@@]1(Cn2ccnn2)CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000671554667 540987118 /nfs/dbraw/zinc/98/71/18/540987118.db2.gz JQYBRVRTCJVIIA-IBGZPJMESA-N 1 0 322.412 2.111 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608597726 361236223 /nfs/dbraw/zinc/23/62/23/361236223.db2.gz AZSYQVVJLMFSEM-UTUOFQBUSA-N 1 0 308.344 2.039 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NCc2csc(C)n2)CC1 ZINC000608626933 361241942 /nfs/dbraw/zinc/24/19/42/361241942.db2.gz UCCUEGYXSBAWCZ-UHFFFAOYSA-N 1 0 310.467 2.373 10 0 DEAERO Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)CC[C@@H](C)[NH3+] ZINC000193226415 201009796 /nfs/dbraw/zinc/00/97/96/201009796.db2.gz GCWOMJCBWANUDC-CYBMUJFWSA-N 1 0 305.422 2.447 10 0 DEAERO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)cccc1Cl ZINC000193242468 201012204 /nfs/dbraw/zinc/01/22/04/201012204.db2.gz YMMRTNWZROXILI-ULKQDVFKSA-N 1 0 318.801 2.040 10 0 DEAERO Cc1c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cnn1Cc1ccccc1 ZINC000193627719 201089780 /nfs/dbraw/zinc/08/97/80/201089780.db2.gz SMOPGCJVCWXDEX-CXAGYDPISA-N 1 0 312.417 2.110 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000193601095 201084046 /nfs/dbraw/zinc/08/40/46/201084046.db2.gz ZHUWUMNLTBKJJK-WFASDCNBSA-N 1 0 323.414 2.376 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2Cl)C1 ZINC000194149226 201186866 /nfs/dbraw/zinc/18/68/66/201186866.db2.gz HQNBOHJFXFTUKK-GFCCVEGCSA-N 1 0 323.824 2.187 10 0 DEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1[C@H]3CCO[C@H]3C13CCCC3)CC2 ZINC000194095179 201176882 /nfs/dbraw/zinc/17/68/82/201176882.db2.gz RVNOLKKWPPNVPR-UWWPHRKUSA-N 1 0 316.449 2.093 10 0 DEAERO COC(=O)C(C)(C)[C@@H]([NH2+]CC(=O)N1CCCC1)c1ccccc1 ZINC000611405140 361592976 /nfs/dbraw/zinc/59/29/76/361592976.db2.gz IGWRCWPYNFINCE-INIZCTEOSA-N 1 0 318.417 2.139 10 0 DEAERO COC(=O)[C@H](C1CC1)[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000611660964 361654355 /nfs/dbraw/zinc/65/43/55/361654355.db2.gz APYOZZBUKYKKCR-UXLLHSPISA-N 1 0 300.402 2.006 10 0 DEAERO Cc1ncc(Br)c(=O)n1C[C@H](C)C[NH2+]C(C)(C)C ZINC000090768749 192931279 /nfs/dbraw/zinc/93/12/79/192931279.db2.gz YQZJUMFQFGAKRD-SECBINFHSA-N 1 0 316.243 2.338 10 0 DEAERO Cc1cccc([C@]2(O)C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675053121 541285905 /nfs/dbraw/zinc/28/59/05/541285905.db2.gz GDBRKSZRJWVAQA-RHSMWYFYSA-N 1 0 306.406 2.498 10 0 DEAERO CC(=O)[C@H](C)CCCCC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000620012284 363932243 /nfs/dbraw/zinc/93/22/43/363932243.db2.gz YIZYDMLQVXTBDG-RHSMWYFYSA-N 1 0 324.465 2.141 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1cscc1C(F)(F)F)C(F)(F)F ZINC000621668477 364497997 /nfs/dbraw/zinc/49/79/97/364497997.db2.gz GHTVPCSQXYXGRZ-ZCFIWIBFSA-N 1 0 306.231 2.386 10 0 DEAERO CC[C@@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)C1CCCC1 ZINC000449146354 240120035 /nfs/dbraw/zinc/12/00/35/240120035.db2.gz CCFUJZDEJYCKEY-GOSISDBHSA-N 1 0 321.509 2.489 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2ccc3occc3c2)CC12COC2 ZINC000449356210 240388629 /nfs/dbraw/zinc/38/86/29/240388629.db2.gz AZOVVEVFTRGFEB-OAHLLOKOSA-N 1 0 315.369 2.444 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2C)CC12COC2 ZINC000449359114 240396409 /nfs/dbraw/zinc/39/64/09/240396409.db2.gz GHZFAXOBDMLUHP-HNNXBMFYSA-N 1 0 307.365 2.146 10 0 DEAERO C=Cn1cc(C[NH2+]C[C@@H]2CCN2Cc2ccc(OC)cc2)cn1 ZINC000623641560 365114125 /nfs/dbraw/zinc/11/41/25/365114125.db2.gz YHIANGFLLKEQJC-KRWDZBQOSA-N 1 0 312.417 2.356 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@H](O)c1cccc(F)c1 ZINC000091229925 193024173 /nfs/dbraw/zinc/02/41/73/193024173.db2.gz PIGGSQJIIUJAQZ-HOTGVXAUSA-N 1 0 310.413 2.342 10 0 DEAERO O=C(Nc1c2nsnc2c(Cl)cc1Cl)C1C[NH2+]C1 ZINC000091395887 193050394 /nfs/dbraw/zinc/05/03/94/193050394.db2.gz AMKOMQNMMMLCLO-UHFFFAOYSA-N 1 0 303.174 2.156 10 0 DEAERO COc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1OC(F)F ZINC000091545408 193071813 /nfs/dbraw/zinc/07/18/13/193071813.db2.gz RQBAZEZOUYXEGU-BDAKNGLRSA-N 1 0 300.305 2.363 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)C(C)(C)N1CCCCCC1 ZINC000091568503 193074572 /nfs/dbraw/zinc/07/45/72/193074572.db2.gz SXCOCULXHYIDLB-OAHLLOKOSA-N 1 0 318.527 2.444 10 0 DEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)[C@@](C)(CC)N1CCCC1 ZINC000091607114 193079384 /nfs/dbraw/zinc/07/93/84/193079384.db2.gz OYCMIKINGYPURO-HZPDHXFCSA-N 1 0 318.527 2.444 10 0 DEAERO Cc1cc([C@@H](CO)N2CCC[NH2+]CC2)ccc1Br ZINC000091474038 193061077 /nfs/dbraw/zinc/06/10/77/193061077.db2.gz SAXHVIMJYPLEFZ-CQSZACIVSA-N 1 0 313.239 2.086 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000091496299 193064001 /nfs/dbraw/zinc/06/40/01/193064001.db2.gz IBVNUDYFLQZSBS-WDSKDSINSA-N 1 0 308.250 2.252 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc(OC(F)F)c1 ZINC000091667720 193087727 /nfs/dbraw/zinc/08/77/27/193087727.db2.gz HCWLWBCBGTVJJH-FZMZJTMJSA-N 1 0 300.349 2.269 10 0 DEAERO O=C1N(Cc2cc(Cl)ccc2Cl)C[C@@H]2C[NH2+]CCN12 ZINC000091751286 193102143 /nfs/dbraw/zinc/10/21/43/193102143.db2.gz XGJVIBBTARUTKI-NSHDSACASA-N 1 0 300.189 2.203 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000624406567 365412347 /nfs/dbraw/zinc/41/23/47/365412347.db2.gz GJSVKQSSJFWLKS-JQWIXIFHSA-N 1 0 302.827 2.067 10 0 DEAERO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000624407105 365413568 /nfs/dbraw/zinc/41/35/68/365413568.db2.gz SZMTYYZWCSFHJP-RKDXNWHRSA-N 1 0 323.245 2.412 10 0 DEAERO Nc1ccc(SC[C@@H](O)[C@H]([NH3+])Cc2ccccc2)cc1F ZINC000091944439 193129655 /nfs/dbraw/zinc/12/96/55/193129655.db2.gz ITGUSEFWACEHPX-HZPDHXFCSA-N 1 0 306.406 2.431 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1C[C@H](O)C1)COc1c(Cl)cccc1Cl ZINC000629607913 367272814 /nfs/dbraw/zinc/27/28/14/367272814.db2.gz RVWMOXSKJBUYAX-OUAUKWLOSA-N 1 0 320.216 2.094 10 0 DEAERO c1c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605019 242010824 /nfs/dbraw/zinc/01/08/24/242010824.db2.gz YDAHVZBHLBPXMF-MAUKXSAKSA-N 1 0 315.465 2.137 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000450677597 242088158 /nfs/dbraw/zinc/08/81/58/242088158.db2.gz RONPLPQGVDDKLP-TVQRCGJNSA-N 1 0 300.196 2.440 10 0 DEAERO CC1CCN(C(=[NH2+])NC[C@@H]2c3ccccc3C(=O)N2C)CC1 ZINC000630387020 367627211 /nfs/dbraw/zinc/62/72/11/367627211.db2.gz DPAVZLIUJLRHTJ-OAHLLOKOSA-N 1 0 300.406 2.070 10 0 DEAERO CO[C@H]1CN(Cc2csc(Br)c2)[C@@](C)(C[NH3+])C1 ZINC000630364805 367612052 /nfs/dbraw/zinc/61/20/52/367612052.db2.gz SYVUWLMZQCHDNW-ZYHUDNBSSA-N 1 0 319.268 2.449 10 0 DEAERO CO[C@H]1CN(Cc2ccccc2Br)[C@](C)(C[NH3+])C1 ZINC000630365874 367613620 /nfs/dbraw/zinc/61/36/20/367613620.db2.gz ZHWZLFRGDVYIAY-OCCSQVGLSA-N 1 0 313.239 2.387 10 0 DEAERO CC[NH2+]Cc1cccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1C ZINC000092113416 193161059 /nfs/dbraw/zinc/16/10/59/193161059.db2.gz GGBLQNTWWYXRAL-CHWSQXEVSA-N 1 0 310.463 2.381 10 0 DEAERO CCC[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c(C)o1 ZINC000092113408 193161598 /nfs/dbraw/zinc/16/15/98/193161598.db2.gz USIACLILMWVPIR-RYUDHWBXSA-N 1 0 314.451 2.364 10 0 DEAERO CCCCCN(C)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115647 193163418 /nfs/dbraw/zinc/16/34/18/193163418.db2.gz WDFMGXCCZOXZGA-UHFFFAOYSA-N 1 0 302.415 2.356 10 0 DEAERO C[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccc(C[NH3+])cc2F)C1 ZINC000092115914 193163880 /nfs/dbraw/zinc/16/38/80/193163880.db2.gz CXZHYXCBNDTAMZ-DGCLKSJQSA-N 1 0 314.426 2.484 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@H](C)C2)c(F)c1 ZINC000092115865 193164163 /nfs/dbraw/zinc/16/41/63/193164163.db2.gz CCXTVAAWQISARK-LBPRGKRZSA-N 1 0 314.426 2.356 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])cc2F)CC1 ZINC000092116234 193164316 /nfs/dbraw/zinc/16/43/16/193164316.db2.gz NXYLWVFALKKOFK-GFCCVEGCSA-N 1 0 314.426 2.485 10 0 DEAERO CC(=O)N1CCC(C[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631065082 367998521 /nfs/dbraw/zinc/99/85/21/367998521.db2.gz IMUOQLNDFCEWEM-UHFFFAOYSA-N 1 0 304.438 2.031 10 0 DEAERO c1c(C[NH2+]C[C@@H]2CCc3ccccc32)nnn1C[C@H]1CCOC1 ZINC000631069105 367999363 /nfs/dbraw/zinc/99/93/63/367999363.db2.gz MGIWYHWHOPHMJM-ZBFHGGJFSA-N 1 0 312.417 2.134 10 0 DEAERO c1c(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)nnn1C[C@@H]1CCOC1 ZINC000631162431 368053415 /nfs/dbraw/zinc/05/34/15/368053415.db2.gz 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/nfs/dbraw/zinc/41/86/56/368418656.db2.gz GYWONAKEIUHBFG-PWSUYJOCSA-N 1 0 313.239 2.484 10 0 DEAERO Cc1csc(NC(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)n1 ZINC000451600541 243183181 /nfs/dbraw/zinc/18/31/81/243183181.db2.gz SDMUHQRJEZMXLA-TZMCWYRMSA-N 1 0 313.467 2.269 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)NC2(C[NH3+])CCCCC2)c1 ZINC000631980525 368479944 /nfs/dbraw/zinc/47/99/44/368479944.db2.gz AMGFTJSWZWLSGR-UHFFFAOYSA-N 1 0 300.399 2.074 10 0 DEAERO O=S(=O)(c1ccccc1Cl)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631995993 368485194 /nfs/dbraw/zinc/48/51/94/368485194.db2.gz SSDJUAZBXMIRIY-AAEUAGOBSA-N 1 0 314.838 2.103 10 0 DEAERO O=C1CC2(CN1C[C@H]1Cc3ccccc3S1)CC[NH2+]CC2 ZINC000092270357 193183946 /nfs/dbraw/zinc/18/39/46/193183946.db2.gz STNGOIMZMWBPGG-CQSZACIVSA-N 1 0 302.443 2.306 10 0 DEAERO CCS(=O)(=O)CC[C@H](C[NH2+]CCOC)c1cccc(C)c1 ZINC000093126323 193205121 /nfs/dbraw/zinc/20/51/21/193205121.db2.gz ZQSNLJCLWUWELZ-MRXNPFEDSA-N 1 0 313.463 2.139 10 0 DEAERO C[NH2+]C[C@@H](Cc1ncnn1C)c1cccc(Br)c1 ZINC000093167151 193209078 /nfs/dbraw/zinc/20/90/78/193209078.db2.gz NNYSWGCFONSJBY-LLVKDONJSA-N 1 0 309.211 2.123 10 0 DEAERO CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262370109 203276283 /nfs/dbraw/zinc/27/62/83/203276283.db2.gz LVVOETISUJNBCT-DUPGQFARSA-N 1 0 308.397 2.406 10 0 DEAERO CC[NH2+]C[C@@H](c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000093180003 193212118 /nfs/dbraw/zinc/21/21/18/193212118.db2.gz BFLJQXGXZPCEMI-WCQYABFASA-N 1 0 301.839 2.468 10 0 DEAERO C[S@](=O)Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000262485254 203307058 /nfs/dbraw/zinc/30/70/58/203307058.db2.gz ULOAGPAETSZNJT-MMAMFSCZSA-N 1 0 320.458 2.424 10 0 DEAERO Cc1cccc(-c2cccc(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)c2)c1 ZINC000262485725 203307599 /nfs/dbraw/zinc/30/75/99/203307599.db2.gz YRFUYXXOISHJCF-ROUUACIJSA-N 1 0 310.397 2.001 10 0 DEAERO CC(C)COC[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccco1 ZINC000262489058 203307606 /nfs/dbraw/zinc/30/76/06/203307606.db2.gz ZCAWICPISIPXLH-KKUMJFAQSA-N 1 0 308.422 2.498 10 0 DEAERO [NH3+][C@H]1CC[C@@H](OCC(=O)Nc2ccccc2Br)C1 ZINC000093217125 193217483 /nfs/dbraw/zinc/21/74/83/193217483.db2.gz FNJBFCJXUJWNFM-VHSXEESVSA-N 1 0 313.195 2.284 10 0 DEAERO CC(C)NS(=O)(=O)c1ccc(O[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093219635 193217944 /nfs/dbraw/zinc/21/79/44/193217944.db2.gz FUSRGNOCYYDSRJ-TZMCWYRMSA-N 1 0 312.435 2.022 10 0 DEAERO CCCNS(=O)(=O)c1ccccc1O[C@H]1CCC[C@@H]([NH3+])C1 ZINC000093220168 193218614 /nfs/dbraw/zinc/21/86/14/193218614.db2.gz XFKJSSYLENKFBY-OLZOCXBDSA-N 1 0 312.435 2.024 10 0 DEAERO CCCn1cc(S(=O)(=O)N(CC)C[C@@H](C)CC)cc1C[NH3+] ZINC000093265942 193223147 /nfs/dbraw/zinc/22/31/47/193223147.db2.gz XVWDLBNGLJVPNM-ZDUSSCGKSA-N 1 0 315.483 2.414 10 0 DEAERO COc1cc(F)ccc1N1CC[NH+](CC2=CCCOC2)CC1 ZINC000093440593 193253161 /nfs/dbraw/zinc/25/31/61/193253161.db2.gz NKYFJJJBIXDGBZ-UHFFFAOYSA-N 1 0 306.381 2.303 10 0 DEAERO COc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc2c1OCCO2 ZINC000093479713 193257267 /nfs/dbraw/zinc/25/72/67/193257267.db2.gz HRXNHSIXDUWKKG-VMZNBEPHSA-N 1 0 319.401 2.059 10 0 DEAERO [NH2+]=C1NC[C@]2(CCSc3ccccc32)N1C[C@H]1CCCO1 ZINC000093377606 193241051 /nfs/dbraw/zinc/24/10/51/193241051.db2.gz DPDWWJVLIAINNM-WBMJQRKESA-N 1 0 303.431 2.187 10 0 DEAERO Cn1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(-c2ccncc2)n1 ZINC000093507137 193261017 /nfs/dbraw/zinc/26/10/17/193261017.db2.gz KYYAMFKBGXWXDA-WBVHZDCISA-N 1 0 312.417 2.483 10 0 DEAERO CCC[NH2+][C@H]1CCC[C@@H]1CCS(=O)(=O)C1CCOCC1 ZINC000093624060 193275577 /nfs/dbraw/zinc/27/55/77/193275577.db2.gz BYUPEMPLOWDDTK-HIFRSBDPSA-N 1 0 303.468 2.139 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCO[C@@H](C)C(F)(F)F ZINC000093626330 193275944 /nfs/dbraw/zinc/27/59/44/193275944.db2.gz KIMVFMXAYBEHQW-GMXVVIOVSA-N 1 0 310.360 2.368 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H]([NH2+]C)[C@H](C)OC ZINC000093690239 193290278 /nfs/dbraw/zinc/29/02/78/193290278.db2.gz JJCUBOOLMLQFKE-VHSXEESVSA-N 1 0 304.232 2.139 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC000093696810 193291587 /nfs/dbraw/zinc/29/15/87/193291587.db2.gz CAAGMSDATDVYOK-HNNXBMFYSA-N 1 0 300.468 2.138 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000093696106 193292254 /nfs/dbraw/zinc/29/22/54/193292254.db2.gz MZVWKWPCMXIKLW-LBPRGKRZSA-N 1 0 316.854 2.101 10 0 DEAERO C[C@@H]1C[C@@H](C)CC([NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093699248 193293284 /nfs/dbraw/zinc/29/32/84/193293284.db2.gz ULRHTDDGBYCGEH-MCIONIFRSA-N 1 0 302.484 2.202 10 0 DEAERO C[C@@]([NH3+])(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000093699154 193293446 /nfs/dbraw/zinc/29/34/46/193293446.db2.gz AXWSVHQYRNPFNH-SWLSCSKDSA-N 1 0 314.426 2.061 10 0 DEAERO CCC[NH2+][C@@H](CC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699944 193294235 /nfs/dbraw/zinc/29/42/35/193294235.db2.gz GAKIJATWSASANF-GJZGRUSLSA-N 1 0 304.500 2.462 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCCC1 ZINC000093699992 193294246 /nfs/dbraw/zinc/29/42/46/193294246.db2.gz KRZLRUYDKPOECU-DZGCQCFKSA-N 1 0 302.484 2.216 10 0 DEAERO CCC[NH2+][C@H](CSCC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700431 193294268 /nfs/dbraw/zinc/29/42/68/193294268.db2.gz XTFWQEWVQPUENV-KGLIPLIRSA-N 1 0 322.540 2.169 10 0 DEAERO CCC[NH2+]C[C@@](C)(CC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701547 193294718 /nfs/dbraw/zinc/29/47/18/193294718.db2.gz DEPQSNZGUHNGRU-GJZGRUSLSA-N 1 0 304.500 2.464 10 0 DEAERO CCC[NH2+]C[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093701402 193295134 /nfs/dbraw/zinc/29/51/34/193295134.db2.gz GQEZTTJCQLAWID-CABCVRRESA-N 1 0 304.500 2.320 10 0 DEAERO CC(C)C[NH2+]CC(C)(C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701482 193295154 /nfs/dbraw/zinc/29/51/54/193295154.db2.gz MGAUZCWPTFUFPU-CQSZACIVSA-N 1 0 304.500 2.320 10 0 DEAERO CC1(C)CC(C[C@@H]2CCCN(S(C)(=O)=O)C2)=C[C@@H]([NH3+])C1 ZINC000093702381 193295768 /nfs/dbraw/zinc/29/57/68/193295768.db2.gz SWEBMDKHVWPKNS-GXTWGEPZSA-N 1 0 300.468 2.122 10 0 DEAERO CCC[NH2+][C@H]1CCC[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000093730401 193298764 /nfs/dbraw/zinc/29/87/64/193298764.db2.gz FXILALRBOZSLIE-KBPBESRZSA-N 1 0 307.404 2.477 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H](n2ccnc2-c2cccs2)C1 ZINC000093759426 193301134 /nfs/dbraw/zinc/30/11/34/193301134.db2.gz VXCBUWBWXHXLHQ-NHYWBVRUSA-N 1 0 304.419 2.170 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2ncc(C)cn2)C1 ZINC000093778940 193305634 /nfs/dbraw/zinc/30/56/34/193305634.db2.gz ORBNLODCPAVHRW-SWLSCSKDSA-N 1 0 308.451 2.043 10 0 DEAERO OC[C@@]1([NH2+]C2CC2)CCC[C@H](N(CC(F)(F)F)C2CC2)C1 ZINC000093782835 193307142 /nfs/dbraw/zinc/30/71/42/193307142.db2.gz FVGKSCRYAJYBGL-UONOGXRCSA-N 1 0 306.372 2.439 10 0 DEAERO [NH3+][C@H](c1cscc1Br)[C@H]1CN2CCC[C@@H]2CO1 ZINC000093655047 193284651 /nfs/dbraw/zinc/28/46/51/193284651.db2.gz JXKPGBWDPIMCRU-GGZOMVNGSA-N 1 0 317.252 2.374 10 0 DEAERO CC[NH2+][C@]1(C(=O)[O-])CC[C@@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093828206 193312986 /nfs/dbraw/zinc/31/29/86/193312986.db2.gz WUFMGYKPQQEYHE-GDBMZVCRSA-N 1 0 300.443 2.109 10 0 DEAERO CC[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2nc3ccccc3o2)C1 ZINC000093850870 193318950 /nfs/dbraw/zinc/31/89/50/193318950.db2.gz ARWSKPXZFKUNCV-BONVTDFDSA-N 1 0 305.403 2.306 10 0 DEAERO CCC[NH2+][C@@]1(CO)CC[C@H](n2cc(Br)cn2)C1 ZINC000093857924 193320051 /nfs/dbraw/zinc/32/00/51/193320051.db2.gz VDPRASQNKUAPHT-RYUDHWBXSA-N 1 0 302.216 2.101 10 0 DEAERO CCC[NH2+][C@@]1(CO)CC[C@H](Sc2nnc3ccccn32)C1 ZINC000093859908 193320091 /nfs/dbraw/zinc/32/00/91/193320091.db2.gz FHKJIVYBEYGGKL-WFASDCNBSA-N 1 0 306.435 2.105 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(Cl)cc1F ZINC000093878076 193322517 /nfs/dbraw/zinc/32/25/17/193322517.db2.gz XCIOAFUEGKYKQK-UHFFFAOYSA-N 1 0 322.833 2.475 10 0 DEAERO CN1CCN(C)[C@H](c2nc(-c3cccc(C[NH3+])c3)cs2)C1 ZINC000093896670 193325081 /nfs/dbraw/zinc/32/50/81/193325081.db2.gz NQVJGHKRSGOIED-HNNXBMFYSA-N 1 0 302.447 2.187 10 0 DEAERO CCC[NH2+][C@@H]1CCCc2sc([C@@H]3CN(C)CCN3C)nc21 ZINC000093896269 193325376 /nfs/dbraw/zinc/32/53/76/193325376.db2.gz PRMZQGUWIPVGMH-OLZOCXBDSA-N 1 0 308.495 2.438 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(CC)s1)[C@@H]1CN(C)CCN1C ZINC000093896111 193325437 /nfs/dbraw/zinc/32/54/37/193325437.db2.gz DDJGMPJQVUNXTQ-IRXDYDNUSA-N 1 0 309.523 2.467 10 0 DEAERO Cc1ccc(S(=O)(=O)N(CC2CC[NH2+]CC2)C(C)C)cc1 ZINC000094024105 193339228 /nfs/dbraw/zinc/33/92/28/193339228.db2.gz CXFRNHNAVCNQOM-UHFFFAOYSA-N 1 0 310.463 2.394 10 0 DEAERO CCc1ccc(S(=O)(=O)N(CC)CC2CC[NH2+]CC2)s1 ZINC000094023851 193339321 /nfs/dbraw/zinc/33/93/21/193339321.db2.gz OEGAEJPKLSACNQ-UHFFFAOYSA-N 1 0 316.492 2.321 10 0 DEAERO C[NH2+][C@@H](Cc1nc(-c2ccccc2)cs1)[C@H]1COCCO1 ZINC000094256642 193355076 /nfs/dbraw/zinc/35/50/76/193355076.db2.gz ZWTHKOUATNHAKP-DZGCQCFKSA-N 1 0 304.415 2.356 10 0 DEAERO CCC[NH2+][C@@H]1[C@H](CN2CCS(=O)CC2)CCCC1(C)C ZINC000094287354 193356021 /nfs/dbraw/zinc/35/60/21/193356021.db2.gz IXJUUXRPGRRPGH-LSDHHAIUSA-N 1 0 300.512 2.245 10 0 DEAERO CCC[C@@H]1CCC[C@@](C[NH3+])(N(C)CCS(C)(=O)=O)CC1 ZINC000094297888 193357126 /nfs/dbraw/zinc/35/71/26/193357126.db2.gz JAZQSYDXNYZBPE-HUUCEWRRSA-N 1 0 304.500 2.041 10 0 DEAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1CN(C)CCS(C)(=O)=O ZINC000094300359 193357467 /nfs/dbraw/zinc/35/74/67/193357467.db2.gz FRQCNHYBZPSSAN-HUUCEWRRSA-N 1 0 318.527 2.157 10 0 DEAERO CC[NH2+][C@H](CCN(C)CCS(C)(=O)=O)c1ccc(C)cc1 ZINC000094300429 193358326 /nfs/dbraw/zinc/35/83/26/193358326.db2.gz AYBPPNGMGUPBKO-MRXNPFEDSA-N 1 0 312.479 2.012 10 0 DEAERO C[C@H](CNc1nc(C(F)(F)F)ccc1C(N)=S)[NH+](C)C ZINC000094336120 193360840 /nfs/dbraw/zinc/36/08/40/193360840.db2.gz SFVLYGJQKDTCQA-SSDOTTSWSA-N 1 0 306.357 2.097 10 0 DEAERO CCCNC(=O)[C@@H](C)Oc1c(F)cc(C[C@@H](C)[NH3+])cc1F ZINC000094350173 193363052 /nfs/dbraw/zinc/36/30/52/193363052.db2.gz LSXQNCCHVSIOFH-NXEZZACHSA-N 1 0 300.349 2.148 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H](C)Oc1c(F)cc(C[NH3+])cc1F ZINC000094346197 193363557 /nfs/dbraw/zinc/36/35/57/193363557.db2.gz QGSGSOPLEMABND-UWVGGRQHSA-N 1 0 300.349 2.496 10 0 DEAERO CCCCNC(=O)COc1c(F)cc(C[NH2+]CC)cc1F ZINC000094347041 193363756 /nfs/dbraw/zinc/36/37/56/193363756.db2.gz RQFYAEMBKYOBGT-UHFFFAOYSA-N 1 0 300.349 2.369 10 0 DEAERO CNC(=O)[C@@H](C)Oc1c(F)cc(C[NH2+]CC(C)C)cc1F ZINC000094347971 193363797 /nfs/dbraw/zinc/36/37/97/193363797.db2.gz VGRRPPKLINTQEQ-SNVBAGLBSA-N 1 0 300.349 2.224 10 0 DEAERO Cc1cc(NC(=O)CC[NH2+]C(C)C)ncc1Br ZINC000094063494 193342378 /nfs/dbraw/zinc/34/23/78/193342378.db2.gz OLVAQCWLEBNKEO-UHFFFAOYSA-N 1 0 300.200 2.479 10 0 DEAERO CCOC(=O)c1ccc(N[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000094078328 193344047 /nfs/dbraw/zinc/34/40/47/193344047.db2.gz DRRHGKYDLNHMMU-JTQLQIEISA-N 1 0 313.195 2.400 10 0 DEAERO C[NH2+]Cc1cc(C)ccc1O[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634522 193386519 /nfs/dbraw/zinc/38/65/19/193386519.db2.gz VGEDMOJIUOFAKA-CABCVRRESA-N 1 0 311.447 2.449 10 0 DEAERO COc1cccc([C@](C)([NH3+])[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000094640183 193388603 /nfs/dbraw/zinc/38/86/03/193388603.db2.gz LHGYSVAUPHUFEB-KBMXLJTQSA-N 1 0 311.447 2.473 10 0 DEAERO Cc1ccc(O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(CC[NH3+])c1 ZINC000094643243 193388670 /nfs/dbraw/zinc/38/86/70/193388670.db2.gz OWWCHPMNNYCUDA-CABCVRRESA-N 1 0 311.447 2.231 10 0 DEAERO CCN(CC)C(C)(C)[C@H]([NH3+])[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642877 193388746 /nfs/dbraw/zinc/38/87/46/193388746.db2.gz CCMHUYSUPUJTDI-MELADBBJSA-N 1 0 304.500 2.038 10 0 DEAERO COc1ccc([C@](C)([NH3+])[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000094640179 193389054 /nfs/dbraw/zinc/38/90/54/193389054.db2.gz VVMASFQQYLSIRM-KBMXLJTQSA-N 1 0 311.447 2.473 10 0 DEAERO C[NH2+]Cc1cc(Br)c(O[C@H](C)[C@H](C)O)c(OC)c1 ZINC000094653059 193390737 /nfs/dbraw/zinc/39/07/37/193390737.db2.gz UAAPAJYOHVNDRP-DTWKUNHWSA-N 1 0 318.211 2.325 10 0 DEAERO C[C@H](CC(N)=S)[N@H+](C)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094376017 193367287 /nfs/dbraw/zinc/36/72/87/193367287.db2.gz DMBTXDRITOBVSW-VXGBXAGGSA-N 1 0 302.509 2.428 10 0 DEAERO CC(C)C[C@H]1CN(CCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094420879 193368593 /nfs/dbraw/zinc/36/85/93/193368593.db2.gz UUTOOOVQPDEJKF-HNNXBMFYSA-N 1 0 310.463 2.056 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1C(N)=S ZINC000094460660 193372155 /nfs/dbraw/zinc/37/21/55/193372155.db2.gz DXEIJUBAGQQOGO-SMDDNHRTSA-N 1 0 307.438 2.128 10 0 DEAERO C[C@H]1C[C@](C[NH3+])(N2CCN(Cc3ccccc3)CC2)CS1 ZINC000094473233 193372666 /nfs/dbraw/zinc/37/26/66/193372666.db2.gz ICTQEYHJDKCYTR-DOTOQJQBSA-N 1 0 305.491 2.027 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNc2nc(Br)cn3ccnc23)C1 ZINC000094489911 193373454 /nfs/dbraw/zinc/37/34/54/193373454.db2.gz NUXNUKILGFZVLR-JTQLQIEISA-N 1 0 324.226 2.246 10 0 DEAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CSCCS1 ZINC000094499559 193374433 /nfs/dbraw/zinc/37/44/33/193374433.db2.gz ZABJTKSSXIWSQP-KOLCDFICSA-N 1 0 305.900 2.361 10 0 DEAERO CCC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@H]1CSCCO1 ZINC000094504848 193374896 /nfs/dbraw/zinc/37/48/96/193374896.db2.gz BBZWJHVRFMXQBP-DGCLKSJQSA-N 1 0 317.886 2.425 10 0 DEAERO C[NH2+][C@@H](Cc1csc2ccccc12)[C@H]1CN2CCN1CC2 ZINC000094509187 193375116 /nfs/dbraw/zinc/37/51/16/193375116.db2.gz GIDIRLLVWAELTL-JKSUJKDBSA-N 1 0 301.459 2.032 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)c3cccnc23)O1 ZINC000094567377 193380622 /nfs/dbraw/zinc/38/06/22/193380622.db2.gz INMHHGCABAGNLH-NOZJJQNGSA-N 1 0 305.765 2.333 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)cc3cccnc32)O1 ZINC000094565804 193381008 /nfs/dbraw/zinc/38/10/08/193381008.db2.gz PVXJZHDCRJXBMW-AAEUAGOBSA-N 1 0 305.765 2.333 10 0 DEAERO C[N@@H+]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2N)CC1 ZINC000094595214 193381293 /nfs/dbraw/zinc/38/12/93/193381293.db2.gz GGXRNJCQMUPGOY-UHFFFAOYSA-N 1 0 301.312 2.065 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2N)C1 ZINC000094599055 193383400 /nfs/dbraw/zinc/38/34/00/193383400.db2.gz MUHBIMZTRHNWFU-VIFPVBQESA-N 1 0 301.312 2.064 10 0 DEAERO CC[N@H+](C)CCNC(=O)c1cccc(C(F)(F)F)c1NC ZINC000094599009 193383490 /nfs/dbraw/zinc/38/34/90/193383490.db2.gz YJYLDKFEHXRJMH-UHFFFAOYSA-N 1 0 303.328 2.429 10 0 DEAERO C[NH2+][C@@H](Cc1ncnn1C)c1cccc(C(F)(F)F)c1F ZINC000094601262 193383590 /nfs/dbraw/zinc/38/35/90/193383590.db2.gz QADMYQATSKAMCE-JTQLQIEISA-N 1 0 302.275 2.476 10 0 DEAERO [NH3+][C@H]1CCCC[C@@H]1Nc1nc2c(Br)cccn2n1 ZINC000094607542 193384916 /nfs/dbraw/zinc/38/49/16/193384916.db2.gz WITXXTOFPKSQKM-UWVGGRQHSA-N 1 0 310.199 2.174 10 0 DEAERO CCC[NH2+]Cc1cc(=O)[nH]c(-c2cncc(Br)c2)n1 ZINC000094825773 193401914 /nfs/dbraw/zinc/40/19/14/193401914.db2.gz DQAZUHCABMATLP-UHFFFAOYSA-N 1 0 323.194 2.094 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000095055192 193415397 /nfs/dbraw/zinc/41/53/97/193415397.db2.gz VPQVBULOKQJHBN-IUODEOHRSA-N 1 0 317.401 2.310 10 0 DEAERO NC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000094750379 193395226 /nfs/dbraw/zinc/39/52/26/193395226.db2.gz DNGGLJASSQMKDE-ZYHUDNBSSA-N 1 0 309.797 2.285 10 0 DEAERO CC[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)CCS(C)(=O)=O ZINC000094767021 193396771 /nfs/dbraw/zinc/39/67/71/193396771.db2.gz LNXXOLWVYSHWBQ-LBPRGKRZSA-N 1 0 316.442 2.285 10 0 DEAERO OC1CCN(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000453377357 245109176 /nfs/dbraw/zinc/10/91/76/245109176.db2.gz PVCDGCFEKLOXIN-APWZRJJASA-N 1 0 318.461 2.201 10 0 DEAERO Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCC[N@@H+](C)C1CC1 ZINC000264916314 204266520 /nfs/dbraw/zinc/26/65/20/204266520.db2.gz YCYNAINMXANKPJ-OAHLLOKOSA-N 1 0 303.406 2.130 10 0 DEAERO Cc1cc2cn[nH]c2c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000266078193 205080358 /nfs/dbraw/zinc/08/03/58/205080358.db2.gz MEGWBOWSHZIKEC-TZMCWYRMSA-N 1 0 300.406 2.426 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1C(=O)c1c(F)cccc1Br ZINC000161117725 197466397 /nfs/dbraw/zinc/46/63/97/197466397.db2.gz URDVTQHBGCLRKQ-VIFPVBQESA-N 1 0 315.186 2.412 10 0 DEAERO COC(=O)[C@@H](C)Oc1c(C)cc(Br)cc1CC[NH3+] ZINC000160909192 197449685 /nfs/dbraw/zinc/44/96/85/197449685.db2.gz NUYOFILOUMYLCO-SECBINFHSA-N 1 0 316.195 2.199 10 0 DEAERO NC(=[NH2+])c1ccc(Sc2nnc(C3CC3)n2C2CC2)nc1 ZINC000019848088 182156436 /nfs/dbraw/zinc/15/64/36/182156436.db2.gz HJOYZIRWUSMMIB-UHFFFAOYSA-N 1 0 300.391 2.321 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)Nc2c(F)cccc2F)ccc1F ZINC000020189337 182195555 /nfs/dbraw/zinc/19/55/55/182195555.db2.gz UOHZBZQBBDBYSY-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO CCN1CCN([C@H](C[NH3+])c2cc(Br)cs2)CC1 ZINC000020475240 182221437 /nfs/dbraw/zinc/22/14/37/182221437.db2.gz REUNDJSNOGXMBO-LLVKDONJSA-N 1 0 318.284 2.148 10 0 DEAERO CCn1cc([C@@H](C)NC(=O)NCCC2CC[NH+](CC)CC2)cn1 ZINC000454671989 246052655 /nfs/dbraw/zinc/05/26/55/246052655.db2.gz ZWFGUFJNDYHCCL-CQSZACIVSA-N 1 0 321.469 2.385 10 0 DEAERO c1cnc(Oc2cccc(C[NH2+][C@H]3CN4CCC3CC4)c2)nc1 ZINC000022937323 182342772 /nfs/dbraw/zinc/34/27/72/182342772.db2.gz KRSVLKGERBOSNK-KRWDZBQOSA-N 1 0 310.401 2.453 10 0 DEAERO CCO[C@H]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@H]1C ZINC000454893295 246232375 /nfs/dbraw/zinc/23/23/75/246232375.db2.gz ZNJINNNCPLKCPU-VXLLPVPCSA-N 1 0 323.481 2.460 10 0 DEAERO CCOC(=O)c1cccc([C@@H]([NH3+])CNC(=O)OC(C)(C)C)c1 ZINC000098089619 193784220 /nfs/dbraw/zinc/78/42/20/193784220.db2.gz HLXXYJZQIKKWQI-ZDUSSCGKSA-N 1 0 308.378 2.388 10 0 DEAERO CC1(C)CC(NC(=O)c2nnc(Cl)s2)CC(C)(C)[NH2+]1 ZINC000159846762 197368138 /nfs/dbraw/zinc/36/81/38/197368138.db2.gz JENWFVYXBGNBPQ-UHFFFAOYSA-N 1 0 302.831 2.231 10 0 DEAERO C[C@@H](NC(=O)CSCC[NH3+])c1ccc(Br)cc1 ZINC000037035514 182863807 /nfs/dbraw/zinc/86/38/07/182863807.db2.gz SFNNYJHLIGARJR-SECBINFHSA-N 1 0 317.252 2.318 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)c2ccn(C)n2)CC1 ZINC000459276048 248605578 /nfs/dbraw/zinc/60/55/78/248605578.db2.gz DRZKLRMSQOHDPV-AWEZNQCLSA-N 1 0 321.469 2.245 10 0 DEAERO c1ccc(-n2nnnc2NCCC[NH2+]C2CCCCC2)cc1 ZINC000040083076 183032014 /nfs/dbraw/zinc/03/20/14/183032014.db2.gz NQBBIKDPBGHURN-UHFFFAOYSA-N 1 0 300.410 2.387 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000040635978 183112250 /nfs/dbraw/zinc/11/22/50/183112250.db2.gz AVVYMRPXTMXIEE-QLFBSQMISA-N 1 0 308.809 2.380 10 0 DEAERO COCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCCC1 ZINC000040654149 183114050 /nfs/dbraw/zinc/11/40/50/183114050.db2.gz JRSATINYGWXFKO-AWEZNQCLSA-N 1 0 309.410 2.142 10 0 DEAERO CCn1cc(Br)cc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000040673767 183116370 /nfs/dbraw/zinc/11/63/70/183116370.db2.gz IYBADZRSTFASJU-LLVKDONJSA-N 1 0 314.227 2.095 10 0 DEAERO CC[C@H](C)N1C(=O)C[C@@H]([NH2+]Cc2cc3c(s2)CCC3)C1=O ZINC000040626699 183110892 /nfs/dbraw/zinc/11/08/92/183110892.db2.gz RCMXYIMYPTYFCH-GXFFZTMASA-N 1 0 306.431 2.252 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2SC(F)F)C1 ZINC000040630043 183111012 /nfs/dbraw/zinc/11/10/12/183111012.db2.gz LJDFRKVEAYARSX-WCBMZHEXSA-N 1 0 302.346 2.317 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2Br)C1 ZINC000040629744 183111038 /nfs/dbraw/zinc/11/10/38/183111038.db2.gz KLWSIRSZASJVAD-JOYOIKCWSA-N 1 0 313.195 2.073 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000040776916 183132414 /nfs/dbraw/zinc/13/24/14/183132414.db2.gz ZKHWNDCRJATCOS-KBPBESRZSA-N 1 0 301.814 2.076 10 0 DEAERO CCCn1cc(Br)cc1C(=O)NCCCC[NH3+] ZINC000040809470 183136698 /nfs/dbraw/zinc/13/66/98/183136698.db2.gz XURADJWLHFJKJV-UHFFFAOYSA-N 1 0 302.216 2.129 10 0 DEAERO C[N@@H+]1CCC[C@H]1CCOc1ncc(Br)cc1N ZINC000040714003 183121839 /nfs/dbraw/zinc/12/18/39/183121839.db2.gz LFKNARPISPRWFN-JTQLQIEISA-N 1 0 300.200 2.289 10 0 DEAERO CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1cc(N)cs1 ZINC000041067811 183161764 /nfs/dbraw/zinc/16/17/64/183161764.db2.gz ALHRGEYJAPXKEP-LLVKDONJSA-N 1 0 319.496 2.119 10 0 DEAERO CCOC(=O)COC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000041071957 183163301 /nfs/dbraw/zinc/16/33/01/183163301.db2.gz KTRRGLCZNCBKFQ-LLVKDONJSA-N 1 0 302.168 2.029 10 0 DEAERO COc1cccc(NC(=O)Nc2nc3c(s2)C[NH2+]CC3)c1 ZINC000041093328 183164758 /nfs/dbraw/zinc/16/47/58/183164758.db2.gz APQCRCUGRVHTSJ-UHFFFAOYSA-N 1 0 304.375 2.441 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1N1C(=O)c2ccc(Br)cc2C1=O ZINC000041158121 183179192 /nfs/dbraw/zinc/17/91/92/183179192.db2.gz DTDOATFAYNHSLJ-NWDGAFQWSA-N 1 0 323.190 2.315 10 0 DEAERO Cc1nc(NC(=O)CC[NH+](C)C)sc1C(=O)OCC(C)C ZINC000041536244 183199533 /nfs/dbraw/zinc/19/95/33/183199533.db2.gz ZGWSKOQJOSGBHZ-UHFFFAOYSA-N 1 0 313.423 2.155 10 0 DEAERO CCNS(=O)(=O)c1ccc(N[C@H](C)C[NH+](CC)CC)cc1 ZINC000041677198 183215692 /nfs/dbraw/zinc/21/56/92/183215692.db2.gz HEHMYDAOEJUZNW-CYBMUJFWSA-N 1 0 313.467 2.127 10 0 DEAERO CCN(CCOC)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000042318063 183253057 /nfs/dbraw/zinc/25/30/57/183253057.db2.gz PKDMXWZHTOHSIF-SECBINFHSA-N 1 0 307.257 2.479 10 0 DEAERO CC[NH2+]Cc1cccc(Br)c1OC[C@@H](C)C(N)=O ZINC000042411669 183266260 /nfs/dbraw/zinc/26/62/60/183266260.db2.gz ICTOBJOSMVYOFV-SECBINFHSA-N 1 0 315.211 2.059 10 0 DEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042517763 183279588 /nfs/dbraw/zinc/27/95/88/183279588.db2.gz KVZYMVOIIKBHTF-WPRPVWTQSA-N 1 0 307.257 2.477 10 0 DEAERO NC(=S)CC[N@H+](CC(=O)Nc1ccccc1Cl)C1CC1 ZINC000042546078 183282993 /nfs/dbraw/zinc/28/29/93/183282993.db2.gz GYHFYEBCNMEZOG-UHFFFAOYSA-N 1 0 311.838 2.419 10 0 DEAERO COCCN([C@@H](C[NH3+])c1cc(C)sc1C)[C@@H](C)COC ZINC000042603122 183290639 /nfs/dbraw/zinc/29/06/39/183290639.db2.gz MBGVWNQHAGTYBN-NHYWBVRUSA-N 1 0 300.468 2.348 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(CC(N)=O)C1CCCC1 ZINC000042946601 183320997 /nfs/dbraw/zinc/32/09/97/183320997.db2.gz WRUJCHVBHJWURL-ZBEGNZNMSA-N 1 0 309.841 2.458 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)CCO ZINC000042953978 183321554 /nfs/dbraw/zinc/32/15/54/183321554.db2.gz VQEDCVSNWVNRAF-STQMWFEESA-N 1 0 301.228 2.152 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1cccc(F)c1 ZINC000042974826 183325107 /nfs/dbraw/zinc/32/51/07/183325107.db2.gz KPJNTXALIMQSJS-MFKMUULPSA-N 1 0 307.398 2.351 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccsc1)N1CCN(c2nccs2)CC1 ZINC000043115978 183338895 /nfs/dbraw/zinc/33/88/95/183338895.db2.gz YJGKYVXXAWFEHM-YPMHNXCESA-N 1 0 308.476 2.415 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCC[C@@H]1C(=O)N(C)C ZINC000043240625 183345957 /nfs/dbraw/zinc/34/59/57/183345957.db2.gz NTLGGNCZQGRULR-NFAWXSAZSA-N 1 0 309.479 2.388 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(Cl)s1 ZINC000043258328 183347719 /nfs/dbraw/zinc/34/77/19/183347719.db2.gz NCNBILYEXAOGMP-XUOSJQGZSA-N 1 0 316.839 2.248 10 0 DEAERO C[C@H](Sc1nc2ccccc2s1)C(=O)N1CC[NH2+]CC1 ZINC000043402842 183359311 /nfs/dbraw/zinc/35/93/11/183359311.db2.gz MNGJBIZSXWNIHZ-JTQLQIEISA-N 1 0 307.444 2.209 10 0 DEAERO CCN(CCO)[C@H](c1ccc(Br)s1)[C@@H](C)[NH3+] ZINC000043261169 183348752 /nfs/dbraw/zinc/34/87/52/183348752.db2.gz BHEIRMGMVVFMFW-KCJUWKMLSA-N 1 0 307.257 2.213 10 0 DEAERO COc1ccc2ccccc2c1[C@@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000043300092 183352793 /nfs/dbraw/zinc/35/27/93/183352793.db2.gz KBYFAIVAUSEYKZ-LRDDRELGSA-N 1 0 305.399 2.283 10 0 DEAERO Cc1cc(Cl)c(NC(=O)[C@@H]2C[NH2+]CCO2)c2cccnc12 ZINC000043708429 183382489 /nfs/dbraw/zinc/38/24/89/183382489.db2.gz KUXCPOGBLHUWFP-LBPRGKRZSA-N 1 0 305.765 2.124 10 0 DEAERO C[C@H](C[NH+]1CCCC1)Nc1nc2c(cc1C(N)=S)CCC2 ZINC000043408847 183359960 /nfs/dbraw/zinc/35/99/60/183359960.db2.gz GBFHTDRVWZVNLJ-LLVKDONJSA-N 1 0 304.463 2.101 10 0 DEAERO CCCN(CC(F)(F)F)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043983427 183391822 /nfs/dbraw/zinc/39/18/22/183391822.db2.gz JAFKLIUJBHTSET-NWDGAFQWSA-N 1 0 310.360 2.144 10 0 DEAERO CCC[C@H](C(N)=S)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000044842005 183441725 /nfs/dbraw/zinc/44/17/25/183441725.db2.gz ICOLNWGQQNPWIR-CQSZACIVSA-N 1 0 311.495 2.166 10 0 DEAERO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175852802 296280689 /nfs/dbraw/zinc/28/06/89/296280689.db2.gz QWJSAEXKLRAQSH-RBSFLKMASA-N 1 0 311.470 2.173 10 0 DEAERO CCC(CC)NC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000105071934 194068954 /nfs/dbraw/zinc/06/89/54/194068954.db2.gz UJUIXHGLKLBVAH-LZWOXQAQSA-N 1 0 311.470 2.458 10 0 DEAERO Cc1cccc(OCC[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000284735284 218155017 /nfs/dbraw/zinc/15/50/17/218155017.db2.gz INZGUJDMHVCDEH-RCCFBDPRSA-N 1 0 305.418 2.236 10 0 DEAERO COCC[N@@H+]1CCN(Cc2coc(-c3ccccc3)n2)C[C@@H]1C ZINC000105832916 194143354 /nfs/dbraw/zinc/14/33/54/194143354.db2.gz JKNBVTIJSVCRFZ-HNNXBMFYSA-N 1 0 315.417 2.494 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2)c1 ZINC000105881294 194155602 /nfs/dbraw/zinc/15/56/02/194155602.db2.gz FNELSQIMUOCXKU-GFCCVEGCSA-N 1 0 306.797 2.462 10 0 DEAERO O[C@@H](COc1ccccc1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886737 194158185 /nfs/dbraw/zinc/15/81/85/194158185.db2.gz UZHFVTYNUIWKKV-QGZVFWFLSA-N 1 0 315.417 2.035 10 0 DEAERO Cc1noc(C)c1CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049074104 183710568 /nfs/dbraw/zinc/71/05/68/183710568.db2.gz CPWGIVAJCBSZKY-UHFFFAOYSA-N 1 0 305.422 2.168 10 0 DEAERO C[C@H](NS(=O)(=O)C[C@@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000049631478 183749063 /nfs/dbraw/zinc/74/90/63/183749063.db2.gz MNAGPBWVIFIFJY-RYUDHWBXSA-N 1 0 316.854 2.463 10 0 DEAERO c1csc(C[NH2+]CCN2CCN(c3nccs3)CC2)c1 ZINC000049948431 183764669 /nfs/dbraw/zinc/76/46/69/183764669.db2.gz PBDYUOKKOMOZAD-UHFFFAOYSA-N 1 0 308.476 2.116 10 0 DEAERO C[NH+](C)CC1CCN(Cc2nc3sccc3c(N)n2)CC1 ZINC000050815610 183805286 /nfs/dbraw/zinc/80/52/86/183805286.db2.gz FZIHHEJFBJGSKZ-UHFFFAOYSA-N 1 0 305.451 2.047 10 0 DEAERO CC(C)(O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000109831610 194291420 /nfs/dbraw/zinc/29/14/20/194291420.db2.gz HSXSOOUHIJXBSJ-LLVKDONJSA-N 1 0 311.813 2.156 10 0 DEAERO COc1ccc(C[C@@H](CCS(C)(=O)=O)C[NH2+]C(C)C)cc1 ZINC000052976129 183882310 /nfs/dbraw/zinc/88/23/10/183882310.db2.gz UASFEXNAVLTAFE-OAHLLOKOSA-N 1 0 313.463 2.287 10 0 DEAERO C[NH+](C)[C@H]1CCN(c2nc(-c3ccccc3)c(CO)s2)C1 ZINC000110276168 194319278 /nfs/dbraw/zinc/31/92/78/194319278.db2.gz PUIOXMIZQVVDSC-ZDUSSCGKSA-N 1 0 303.431 2.443 10 0 DEAERO COc1ccc(Br)cc1C[C@@]1(O)CCC[NH2+]C1 ZINC000110551275 194338605 /nfs/dbraw/zinc/33/86/05/194338605.db2.gz XSXBXEPLJVSYDK-ZDUSSCGKSA-N 1 0 300.196 2.115 10 0 DEAERO O=S1(=O)CC[C@@H]([NH2+]CCOc2ccc(Cl)c(Cl)c2)C1 ZINC000053586909 183907445 /nfs/dbraw/zinc/90/74/45/183907445.db2.gz WENXFWFWMSPMTN-SECBINFHSA-N 1 0 324.229 2.149 10 0 DEAERO COCC[NH2+]C[C@@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000110779861 194358701 /nfs/dbraw/zinc/35/87/01/194358701.db2.gz YSAYXZLZSFGIFB-LBPRGKRZSA-N 1 0 306.435 2.205 10 0 DEAERO O=S(=O)(c1ccccc1NCC[C@H]1CC[NH2+]C1)C(F)F ZINC000110798687 194360170 /nfs/dbraw/zinc/36/01/70/194360170.db2.gz BFQWQENCLMZYEJ-SNVBAGLBSA-N 1 0 304.362 2.094 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCc2cc(Br)ccc2C1 ZINC000110830107 194362585 /nfs/dbraw/zinc/36/25/85/194362585.db2.gz SYNHPZKQIOSBGB-CQSZACIVSA-N 1 0 311.223 2.162 10 0 DEAERO CN(C(=O)c1cc(F)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000110927388 194369859 /nfs/dbraw/zinc/36/98/59/194369859.db2.gz HNHJRSOWBYCTLZ-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO CCCN(c1ccc(S(=O)(=O)CC)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110948198 194373429 /nfs/dbraw/zinc/37/34/29/194373429.db2.gz RFEOEPDAKBYDOV-OAHLLOKOSA-N 1 0 310.463 2.449 10 0 DEAERO CCOCCN(CC)S(=O)(=O)c1cccc([C@H]([NH3+])CC)c1 ZINC000111125605 194392755 /nfs/dbraw/zinc/39/27/55/194392755.db2.gz RSSVSKOYWSFHCN-OAHLLOKOSA-N 1 0 314.451 2.144 10 0 DEAERO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1N)CC1CCOCC1 ZINC000111155645 194396195 /nfs/dbraw/zinc/39/61/95/194396195.db2.gz KCCSAOAXFJZSGL-UHFFFAOYSA-N 1 0 311.813 2.219 10 0 DEAERO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1N)C[C@H]1CCCOC1 ZINC000111154673 194397003 /nfs/dbraw/zinc/39/70/03/194397003.db2.gz XXGRKJFLYKBZRK-LLVKDONJSA-N 1 0 311.813 2.219 10 0 DEAERO CC[NH+]1CCN(CC(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000060934760 184158623 /nfs/dbraw/zinc/15/86/23/184158623.db2.gz PBWYBUXNVJTXFP-AWEZNQCLSA-N 1 0 307.463 2.049 10 0 DEAERO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000060995681 184159568 /nfs/dbraw/zinc/15/95/68/184159568.db2.gz VLPHSXAFEAQNPV-ZDUSSCGKSA-N 1 0 315.421 2.175 10 0 DEAERO C[C@@H](NC(=O)CN1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000061040967 184160564 /nfs/dbraw/zinc/16/05/64/184160564.db2.gz BLYBBDLDMQPFHO-OAHLLOKOSA-N 1 0 301.434 2.034 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000061267282 184167160 /nfs/dbraw/zinc/16/71/60/184167160.db2.gz OIHXWOBLXXBRFM-NSHDSACASA-N 1 0 300.349 2.192 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000061270358 184167265 /nfs/dbraw/zinc/16/72/65/184167265.db2.gz JYHRZFWVDNXELQ-SNVBAGLBSA-N 1 0 307.785 2.247 10 0 DEAERO CC[NH+]1CCC(N(C)c2nc(Cl)nc(OC(C)C)n2)CC1 ZINC000061540294 184173385 /nfs/dbraw/zinc/17/33/85/184173385.db2.gz SJBRQEUUHFZOCD-UHFFFAOYSA-N 1 0 313.833 2.233 10 0 DEAERO COc1ccc(NS(=O)(=O)CCC2CC[NH2+]CC2)c(C)c1 ZINC000061568496 184174917 /nfs/dbraw/zinc/17/49/17/184174917.db2.gz ORMXVJRUPBXTKU-UHFFFAOYSA-N 1 0 312.435 2.135 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1cccc(F)c1 ZINC000061594434 184176180 /nfs/dbraw/zinc/17/61/80/184176180.db2.gz ZWAUYRKKHIWHMJ-NWDGAFQWSA-N 1 0 310.398 2.301 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1cccc(C)c1 ZINC000061594347 184176259 /nfs/dbraw/zinc/17/62/59/184176259.db2.gz YBUSJPSJVPYBFE-CHWSQXEVSA-N 1 0 306.435 2.470 10 0 DEAERO COCC[NH2+][C@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689784 184182706 /nfs/dbraw/zinc/18/27/06/184182706.db2.gz NJVBCTOGEINURT-GFCCVEGCSA-N 1 0 306.175 2.032 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CC[C@H](O)C1 ZINC000061710039 184184920 /nfs/dbraw/zinc/18/49/20/184184920.db2.gz UWRVODSXJLCLLH-IHRRRGAJSA-N 1 0 313.239 2.294 10 0 DEAERO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH3+])c(C)c1 ZINC000061841258 184189157 /nfs/dbraw/zinc/18/91/57/184189157.db2.gz PVKSYDCRPBJPQL-UHFFFAOYSA-N 1 0 304.415 2.241 10 0 DEAERO [NH3+]C[C@H](c1ccc(Br)s1)N1CCCOCC1 ZINC000061914233 184195313 /nfs/dbraw/zinc/19/53/13/184195313.db2.gz PJJNYEMBUFONCC-SECBINFHSA-N 1 0 305.241 2.233 10 0 DEAERO [NH3+][C@@H](CCN1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000061947705 184198071 /nfs/dbraw/zinc/19/80/71/184198071.db2.gz MINSXJWZEJHNPZ-AWEZNQCLSA-N 1 0 301.356 2.256 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N(C)c1cccc(C[NH3+])c1 ZINC000061950492 184198434 /nfs/dbraw/zinc/19/84/34/184198434.db2.gz QXIDMUNHMIROPR-UHFFFAOYSA-N 1 0 308.378 2.418 10 0 DEAERO CCCOc1nc(Cl)nc(NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000062076720 184204654 /nfs/dbraw/zinc/20/46/54/184204654.db2.gz MWZLVBOSQBINHO-LLVKDONJSA-N 1 0 313.833 2.458 10 0 DEAERO Cc1cc(C)c(C(N)=S)c(NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000062080408 184204956 /nfs/dbraw/zinc/20/49/56/184204956.db2.gz OJUDAFBPMJCKNT-LLVKDONJSA-N 1 0 306.479 2.476 10 0 DEAERO COCCC[NH+]1[C@@H](C)CN(C(=O)c2cccc(OC)c2)C[C@@H]1C ZINC000062180897 184213430 /nfs/dbraw/zinc/21/34/30/184213430.db2.gz GDRZJVMLQHDMDT-GJZGRUSLSA-N 1 0 320.433 2.267 10 0 DEAERO COCCC[NH+]1[C@@H](C)CN(C(=O)c2ccccc2F)C[C@@H]1C ZINC000062180842 184213732 /nfs/dbraw/zinc/21/37/32/184213732.db2.gz IWVIMHNVHDGWSY-KBPBESRZSA-N 1 0 308.397 2.397 10 0 DEAERO CC(C)CN1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc(Br)o1 ZINC000062209882 184220313 /nfs/dbraw/zinc/22/03/13/184220313.db2.gz RAHUNXUMXRYVGE-PRHODGIISA-N 1 0 301.184 2.299 10 0 DEAERO COCCN1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc(Cl)cc1Cl ZINC000062210254 184221028 /nfs/dbraw/zinc/22/10/28/184221028.db2.gz SYVQMSYSVBMYKP-YPMHNXCESA-N 1 0 303.189 2.241 10 0 DEAERO CCC(CC)[N@H+](CCOC)CC[C@@H](NC(C)C)C(=O)OC ZINC000062525618 184241493 /nfs/dbraw/zinc/24/14/93/184241493.db2.gz XMYQPDYEGLWBHZ-OAHLLOKOSA-N 1 0 302.459 2.053 10 0 DEAERO CCOC(=O)COc1ccc(C[C@@H](C)[NH3+])cc1Br ZINC000062703963 184248690 /nfs/dbraw/zinc/24/86/90/184248690.db2.gz NVVPDIMBKCHVGQ-SECBINFHSA-N 1 0 316.195 2.281 10 0 DEAERO C[NH2+][C@@H](CCSc1cccc(Br)c1)C(N)=O ZINC000062604243 184244897 /nfs/dbraw/zinc/24/48/97/184244897.db2.gz IXOXQBJTYOUDSJ-JTQLQIEISA-N 1 0 303.225 2.005 10 0 DEAERO CCNC(=O)[C@H](C)Oc1ccc(C[NH2+]C)cc1Br ZINC000062700926 184247478 /nfs/dbraw/zinc/24/74/78/184247478.db2.gz BFTWULLXVXBSCD-VIFPVBQESA-N 1 0 315.211 2.072 10 0 DEAERO CC(C)[NH2+]Cc1ccc(O[C@@H](C)C(N)=O)c(Br)c1 ZINC000062701994 184248079 /nfs/dbraw/zinc/24/80/79/184248079.db2.gz BBGZMXLQKNTLFZ-VIFPVBQESA-N 1 0 315.211 2.200 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000063168975 184275620 /nfs/dbraw/zinc/27/56/20/184275620.db2.gz IUWVGQDADWEPBO-LBPRGKRZSA-N 1 0 313.804 2.492 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000063168154 184275769 /nfs/dbraw/zinc/27/57/69/184275769.db2.gz HBXJNRAUWGPIEX-LBPRGKRZSA-N 1 0 302.827 2.103 10 0 DEAERO CCOc1ccccc1CNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000064226583 184293397 /nfs/dbraw/zinc/29/33/97/184293397.db2.gz PFWVOFQMIGYOKD-UHFFFAOYSA-N 1 0 317.433 2.465 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(SC)cc1 ZINC000064595859 184301204 /nfs/dbraw/zinc/30/12/04/184301204.db2.gz KXMUHTQYUDGMDQ-GFCCVEGCSA-N 1 0 316.492 2.417 10 0 DEAERO COCCC[NH2+]CC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000066068363 184386608 /nfs/dbraw/zinc/38/66/08/184386608.db2.gz LHRUBHLLZHPDBH-UHFFFAOYSA-N 1 0 321.421 2.236 10 0 DEAERO C[S@](=O)CCCn1c(N)[nH+]c2cc(Br)ccc21 ZINC000159275877 197342355 /nfs/dbraw/zinc/34/23/55/197342355.db2.gz CJUGSBRDXNSUKL-QGZVFWFLSA-N 1 0 316.224 2.150 10 0 DEAERO C[N@H+](CCNC(=O)NCc1cscn1)Cc1ccc(F)cc1 ZINC000175698228 207361927 /nfs/dbraw/zinc/36/19/27/207361927.db2.gz IFEYEUMPHKVISR-UHFFFAOYSA-N 1 0 322.409 2.213 10 0 DEAERO COc1cc(C[NH2+]Cc2cccnc2-n2ccnc2)ccc1O ZINC000192945886 207370643 /nfs/dbraw/zinc/37/06/43/207370643.db2.gz RCHRGGLEJUQYHN-UHFFFAOYSA-N 1 0 310.357 2.271 10 0 DEAERO CC(C)(C)[C@H]1CC[C@@H](C[NH3+])[C@H](S(=O)(=O)C2CCOCC2)C1 ZINC000068609748 184493649 /nfs/dbraw/zinc/49/36/49/184493649.db2.gz OZOPNLAYFSZNHV-KCQAQPDRSA-N 1 0 317.495 2.370 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2)c1 ZINC000537214746 284987191 /nfs/dbraw/zinc/98/71/91/284987191.db2.gz USVVLKADMPDAMB-UHFFFAOYSA-N 1 0 300.406 2.204 10 0 DEAERO Cc1nc(-c2ccccc2)ncc1C(=O)N(C)CCC[NH+](C)C ZINC000537213930 284987250 /nfs/dbraw/zinc/98/72/50/284987250.db2.gz BVJFCQKANJVNAR-UHFFFAOYSA-N 1 0 312.417 2.476 10 0 DEAERO CN1CCC[C@H](N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000538712663 285052130 /nfs/dbraw/zinc/05/21/30/285052130.db2.gz KQAYYIBTWLQRNY-SJORKVTESA-N 1 0 307.482 2.195 10 0 DEAERO COc1ccc(C(=O)CCC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000539415659 285075971 /nfs/dbraw/zinc/07/59/71/285075971.db2.gz GFTAZTYCFDLZKD-UHFFFAOYSA-N 1 0 306.406 2.068 10 0 DEAERO COC[C@@H](O)C[NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000539726597 285085467 /nfs/dbraw/zinc/08/54/67/285085467.db2.gz DRZDMIOLTGQWSR-PBHICJAKSA-N 1 0 316.401 2.319 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cccc(Cn2ccnc2)c1 ZINC000270262560 208329022 /nfs/dbraw/zinc/32/90/22/208329022.db2.gz RUHXSZOUQLVGEP-GJZGRUSLSA-N 1 0 312.417 2.096 10 0 DEAERO CCc1cnc(CCNC(=O)N(CC[NH+](C)C)C(C)C)s1 ZINC000159274982 197341102 /nfs/dbraw/zinc/34/11/02/197341102.db2.gz FJOHQBYRZVRSAE-UHFFFAOYSA-N 1 0 312.483 2.230 10 0 DEAERO CC[NH2+]Cc1cccc(Cl)c1O[C@@H]1CCS(=O)(=O)C1 ZINC000159152667 197331549 /nfs/dbraw/zinc/33/15/49/197331549.db2.gz YUIDJYQHFSGOBO-LLVKDONJSA-N 1 0 303.811 2.015 10 0 DEAERO C[C@@]1(c2ccccc2)CN(C2CCS(=O)CC2)CCC[NH2+]1 ZINC000159206309 197336250 /nfs/dbraw/zinc/33/62/50/197336250.db2.gz DPYQLEMEVJBOIR-BATSVXPKSA-N 1 0 306.475 2.108 10 0 DEAERO CC[NH2+][C@H](Cc1cccnc1)c1c(Br)cnn1C ZINC000159208274 197335968 /nfs/dbraw/zinc/33/59/68/197335968.db2.gz RGKJNPLOKBVLKR-GFCCVEGCSA-N 1 0 309.211 2.471 10 0 DEAERO CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C1CCS(=O)CC1 ZINC000159202122 197334536 /nfs/dbraw/zinc/33/45/36/197334536.db2.gz OTIDKKLAIRFYID-YCTJDYOESA-N 1 0 300.512 2.242 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)CC(C)(C)C)cc(C[NH3+])c1F ZINC000159102939 197327334 /nfs/dbraw/zinc/32/73/34/197327334.db2.gz VPOBCHVTUXYZRC-UHFFFAOYSA-N 1 0 302.415 2.259 10 0 DEAERO CCC[NH2+]Cc1cc(S(=O)(=O)NC(C)C)cc(C)c1F ZINC000159080311 197325932 /nfs/dbraw/zinc/32/59/32/197325932.db2.gz XKKQANOQFOSRDN-UHFFFAOYSA-N 1 0 302.415 2.320 10 0 DEAERO CCN(CC)c1nc(NC)nc(SCC[NH+](CC)CC)n1 ZINC000159026702 197320192 /nfs/dbraw/zinc/32/01/92/197320192.db2.gz FBYTUEYEPKKYBH-UHFFFAOYSA-N 1 0 312.487 2.193 10 0 DEAERO CNc1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000158882999 197308110 /nfs/dbraw/zinc/30/81/10/197308110.db2.gz HXIPZZQRHYLASO-WDEREUQCSA-N 1 0 308.813 2.133 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)C1CCOCC1)C1CCCC1 ZINC000158875343 197308027 /nfs/dbraw/zinc/30/80/27/197308027.db2.gz SOTSPPGDDYUHSX-HNNXBMFYSA-N 1 0 303.468 2.139 10 0 DEAERO CCO[C@@H](C[NH3+])CC[S@](=O)c1ccccc1Br ZINC000158841367 197305444 /nfs/dbraw/zinc/30/54/44/197305444.db2.gz XQPRDSQQGYQPHW-BMLIUANNSA-N 1 0 320.252 2.311 10 0 DEAERO [NH3+][C@H](c1ccc2c3c(cccc31)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000158780258 197301369 /nfs/dbraw/zinc/30/13/69/197301369.db2.gz BJABGPNOWXBLKX-DYVFJYSZSA-N 1 0 301.411 2.373 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c(C)s1 ZINC000158775546 197300188 /nfs/dbraw/zinc/30/01/88/197300188.db2.gz XKGXRZHMQMPTDT-VXGBXAGGSA-N 1 0 314.476 2.197 10 0 DEAERO CC[NH2+]Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000158762267 197299138 /nfs/dbraw/zinc/29/91/38/197299138.db2.gz DZYUBMSJYLAWGI-GASCZTMLSA-N 1 0 308.447 2.217 10 0 DEAERO CC[NH2+]Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000158762571 197298910 /nfs/dbraw/zinc/29/89/10/197298910.db2.gz DZYUBMSJYLAWGI-GJZGRUSLSA-N 1 0 308.447 2.217 10 0 DEAERO C[NH2+]Cc1cccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c1C ZINC000158743822 197298110 /nfs/dbraw/zinc/29/81/10/197298110.db2.gz AZYJKDAFEGGGAN-HUUCEWRRSA-N 1 0 308.447 2.135 10 0 DEAERO CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000158405900 197269010 /nfs/dbraw/zinc/26/90/10/197269010.db2.gz BLZFNXFMKQYUTC-CMPLNLGQSA-N 1 0 301.312 2.442 10 0 DEAERO CCc1nn(CC)c(C[NH2+]C2CCS(=O)CC2)c1Cl ZINC000158171889 197249295 /nfs/dbraw/zinc/24/92/95/197249295.db2.gz RAORYKCTOTUBHO-UHFFFAOYSA-N 1 0 303.859 2.120 10 0 DEAERO Cc1cc(C)c(C(N)=S)c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000158026729 197236629 /nfs/dbraw/zinc/23/66/29/197236629.db2.gz DJZXAKOHABVGJJ-QWHCGFSZSA-N 1 0 304.463 2.371 10 0 DEAERO COc1ccc(C[NH2+]C2CCS(=O)CC2)c(Cl)c1OC ZINC000157958751 197229992 /nfs/dbraw/zinc/22/99/92/197229992.db2.gz ZNUDXRSYDBYDEN-UHFFFAOYSA-N 1 0 317.838 2.358 10 0 DEAERO COc1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)cc1O ZINC000120296328 195138077 /nfs/dbraw/zinc/13/80/77/195138077.db2.gz BULRTACMRCCFCX-UHFFFAOYSA-N 1 0 314.389 2.267 10 0 DEAERO CC(C)(C)[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(F)cc1 ZINC000157829497 197218742 /nfs/dbraw/zinc/21/87/42/197218742.db2.gz PFEQOABGKSXIAS-IAGOWNOFSA-N 1 0 324.440 2.196 10 0 DEAERO CC[NH+](CC)C(C)(C)[C@@H](O)c1c(Br)cnn1C ZINC000157591524 197199915 /nfs/dbraw/zinc/19/99/15/197199915.db2.gz IGTZSBAZHXBFQX-NSHDSACASA-N 1 0 304.232 2.336 10 0 DEAERO Cc1cnc(CC[N@@H+](C)C[C@H](O)COc2ccccc2)s1 ZINC000157495204 197192335 /nfs/dbraw/zinc/19/23/35/197192335.db2.gz IMVQZVJPEMRXFF-AWEZNQCLSA-N 1 0 306.431 2.366 10 0 DEAERO CC[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N1C[C@@H](C)C[C@@H]1C ZINC000157417076 197185867 /nfs/dbraw/zinc/18/58/67/197185867.db2.gz MLEXAHKAFOQZMD-QWRGUYRKSA-N 1 0 314.451 2.425 10 0 DEAERO Cc1cccc(F)c1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000157252643 197173126 /nfs/dbraw/zinc/17/31/26/197173126.db2.gz ODWCFFSFHSKSIW-CYBMUJFWSA-N 1 0 323.412 2.165 10 0 DEAERO O=C([O-])[C@@H]1c2ccsc2CC[N@@H+]1[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000157093025 197160899 /nfs/dbraw/zinc/16/08/99/197160899.db2.gz YYXLWITVSPHZPU-JMSVASOKSA-N 1 0 306.431 2.359 10 0 DEAERO CCO[C@H]1C[C@]([NH3+])(C(=O)N(CC(F)(F)F)C2CC2)C1(C)C ZINC000157137603 197165013 /nfs/dbraw/zinc/16/50/13/197165013.db2.gz KWEXSKVLRJAIFF-GWCFXTLKSA-N 1 0 308.344 2.072 10 0 DEAERO COc1ccc2[nH]c(=S)n(C[C@@H](C)C[NH+]3CCCC3)c2n1 ZINC000157050566 197158000 /nfs/dbraw/zinc/15/80/00/197158000.db2.gz ASBGSEPIGOOGSA-NSHDSACASA-N 1 0 306.435 2.461 10 0 DEAERO C[C@@H](CNC(=O)N1CCC(c2cc[nH]n2)CC1)C[NH+]1CCCC1 ZINC000157040575 197157354 /nfs/dbraw/zinc/15/73/54/197157354.db2.gz ZSZPRGBFLKZSRK-AWEZNQCLSA-N 1 0 319.453 2.031 10 0 DEAERO C[C@](O)(C[C@H]1COCC[NH2+]1)c1cc(Br)ccc1F ZINC000156886189 197147251 /nfs/dbraw/zinc/14/72/51/197147251.db2.gz ISHVGCZHQPMHLJ-GWCFXTLKSA-N 1 0 318.186 2.174 10 0 DEAERO C[C@H]1CCCCN1CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000156604933 197126341 /nfs/dbraw/zinc/12/63/41/197126341.db2.gz XEUXLPVJJYUVFZ-ZDUSSCGKSA-N 1 0 307.404 2.477 10 0 DEAERO COc1cccc2sc(C(=O)N(C)CC[NH+](C)C)c(N)c21 ZINC000156182867 197093050 /nfs/dbraw/zinc/09/30/50/197093050.db2.gz FXSSLHYWBXYAOZ-UHFFFAOYSA-N 1 0 307.419 2.126 10 0 DEAERO C[NH2+]CCc1noc(-c2cccc(F)c2Br)n1 ZINC000156167753 197091704 /nfs/dbraw/zinc/09/17/04/197091704.db2.gz ICDVWLBVRXVWRE-UHFFFAOYSA-N 1 0 300.131 2.400 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000156147785 197089486 /nfs/dbraw/zinc/08/94/86/197089486.db2.gz ZQSZAMYIYXQNSS-JWILCIIWSA-N 1 0 314.838 2.452 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)C[S@@](=O)c2cccc(F)c2)cc1 ZINC000156084671 197085438 /nfs/dbraw/zinc/08/54/38/197085438.db2.gz QVZAVIIPFDRCGS-NRFANRHFSA-N 1 0 306.362 2.031 10 0 DEAERO C[N@@H+](CC(=O)NC(=O)NCc1cccs1)C[C@@H]1CC=CCC1 ZINC000542247139 285214963 /nfs/dbraw/zinc/21/49/63/285214963.db2.gz HHZZXVLJVWPXOT-CYBMUJFWSA-N 1 0 321.446 2.362 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000155611511 197071971 /nfs/dbraw/zinc/07/19/71/197071971.db2.gz BDYDCPCTCDPJEV-ZIAGYGMSSA-N 1 0 320.481 2.249 10 0 DEAERO COc1ccc(Cl)cc1CC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155437414 197054694 /nfs/dbraw/zinc/05/46/94/197054694.db2.gz VKAJSWTYJXSGBR-RYUDHWBXSA-N 1 0 310.825 2.442 10 0 DEAERO COc1ccc(Cl)cc1CC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000155437529 197054778 /nfs/dbraw/zinc/05/47/78/197054778.db2.gz VKAJSWTYJXSGBR-VXGBXAGGSA-N 1 0 310.825 2.442 10 0 DEAERO CCC(CC)(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccc(Cl)cc1 ZINC000155137154 197025674 /nfs/dbraw/zinc/02/56/74/197025674.db2.gz LIRVUFCVPXNIPY-CABCVRRESA-N 1 0 324.852 2.237 10 0 DEAERO C[C@H]1CCC[N@@H+]1C1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000154911039 197004076 /nfs/dbraw/zinc/00/40/76/197004076.db2.gz NKCFUKFMWINXAJ-AWEZNQCLSA-N 1 0 312.421 2.115 10 0 DEAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](O)C(C)C)C1 ZINC000154959882 197008059 /nfs/dbraw/zinc/00/80/59/197008059.db2.gz NJPGCCLGAHTNHE-CABCVRRESA-N 1 0 313.486 2.203 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(Br)n1 ZINC000154914065 197005229 /nfs/dbraw/zinc/00/52/29/197005229.db2.gz XCNSWRSLFAZQLW-SNVBAGLBSA-N 1 0 314.227 2.304 10 0 DEAERO CC1CCC(C[NH+]2CCN(c3ccc4nncn4n3)CC2)CC1 ZINC000120512193 195180949 /nfs/dbraw/zinc/18/09/49/195180949.db2.gz KMPGROWKLOHVAK-UHFFFAOYSA-N 1 0 314.437 2.073 10 0 DEAERO CC[C@H]1CN(Cc2cc(F)c(F)c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000120728916 195225677 /nfs/dbraw/zinc/22/56/77/195225677.db2.gz ONNXXNRQRCLLIG-YPMHNXCESA-N 1 0 316.367 2.381 10 0 DEAERO CC[C@H]1CN(Cc2ccccc2C(=O)OC)CC[N@@H+]1CCOC ZINC000120907682 195261682 /nfs/dbraw/zinc/26/16/82/195261682.db2.gz GGKVQUROYDUEQZ-INIZCTEOSA-N 1 0 320.433 2.016 10 0 DEAERO C[C@@H]([NH2+]CCc1cn[nH]c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000289612230 221102740 /nfs/dbraw/zinc/10/27/40/221102740.db2.gz DDTDENZWARNHHN-TZMCWYRMSA-N 1 0 308.426 2.187 10 0 DEAERO CC[N@@H+]1C[C@H](COC)[C@@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC000249685709 257107383 /nfs/dbraw/zinc/10/73/83/257107383.db2.gz GDMQVBRYGKSGSP-AEFFLSMTSA-N 1 0 308.466 2.384 10 0 DEAERO Cc1nc(CN2C(=O)C[C@H]3[C@H]2CC[N@@H+]3Cc2ccoc2)cs1 ZINC000248022153 257111104 /nfs/dbraw/zinc/11/11/04/257111104.db2.gz JHPFYPOMJXSPIW-CABCVRRESA-N 1 0 317.414 2.420 10 0 DEAERO Cc1nnc([C@@H]2CC[C@H]3[C@H](CC[N@@H+]3CC3CCOCC3)O2)o1 ZINC000248041264 257111384 /nfs/dbraw/zinc/11/13/84/257111384.db2.gz SXBHEPMLEYJKJZ-KKUMJFAQSA-N 1 0 307.394 2.099 10 0 DEAERO COC[C@H]1C[N@H+](C)C[C@]12CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000247965629 257113132 /nfs/dbraw/zinc/11/31/32/257113132.db2.gz HWZFYHDKXVVUHG-PBHICJAKSA-N 1 0 322.836 2.380 10 0 DEAERO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3S(=O)(=O)C2CC2)c1 ZINC000247954445 257113963 /nfs/dbraw/zinc/11/39/63/257113963.db2.gz ZMXVKFYXGJVKEQ-DLBZAZTESA-N 1 0 320.458 2.136 10 0 DEAERO O=C(NCc1ccco1)[C@H]1Cn2cccc2C[N@@H+](C2CCC2)C1 ZINC000247462893 257119113 /nfs/dbraw/zinc/11/91/13/257119113.db2.gz BNYADNQTWVWTAV-AWEZNQCLSA-N 1 0 313.401 2.382 10 0 DEAERO O=C(Nc1cccnc1)[C@@H]1C[N@@H+](C2CCCC2)C[C@@H]2OCC[C@@H]21 ZINC000247475314 257119648 /nfs/dbraw/zinc/11/96/48/257119648.db2.gz GXVILDCGOJGVTK-ZACQAIPSSA-N 1 0 315.417 2.300 10 0 DEAERO Fc1cnc(N2CC3(C2)CC[C@@H](C[NH+]2CCCCC2)CO3)nc1 ZINC000247510705 257119683 /nfs/dbraw/zinc/11/96/83/257119683.db2.gz IIUNDHKVXKWAHB-AWEZNQCLSA-N 1 0 320.412 2.087 10 0 DEAERO CC(C)NC(=O)[C@@H]1C[C@H]2CC[N@H+](CCc3ccccc3)C[C@@H]2O1 ZINC000253374893 257105544 /nfs/dbraw/zinc/10/55/44/257105544.db2.gz NWEYDZJOTSJOBT-SQNIBIBYSA-N 1 0 316.445 2.233 10 0 DEAERO Fc1cccnc1OC[C@]12COC[C@@H]1C[N@H+](Cc1ccco1)C2 ZINC000503717663 257209678 /nfs/dbraw/zinc/20/96/78/257209678.db2.gz UISKPKBCVSOQDB-GUYCJALGSA-N 1 0 318.348 2.341 10 0 DEAERO CCOC(=O)CC[C@H]([NH3+])Cc1cc(Cl)c2c(c1)OCCO2 ZINC000069605831 184823798 /nfs/dbraw/zinc/82/37/98/184823798.db2.gz NIDRNEVVSWVKIO-NSHDSACASA-N 1 0 313.781 2.324 10 0 DEAERO CC(C)[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000121657363 195325466 /nfs/dbraw/zinc/32/54/66/195325466.db2.gz LXVVSZSZPMVTEA-AWEZNQCLSA-N 1 0 300.406 2.390 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1C ZINC000121814463 195352515 /nfs/dbraw/zinc/35/25/15/195352515.db2.gz RNOFRFBDCJGBQV-MRXNPFEDSA-N 1 0 319.449 2.334 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1C ZINC000121814344 195352729 /nfs/dbraw/zinc/35/27/29/195352729.db2.gz RNOFRFBDCJGBQV-INIZCTEOSA-N 1 0 319.449 2.334 10 0 DEAERO Cc1ccc([C@@H]2N[C@@H](C)C(=O)N2CC2CC[NH+](C)CC2)s1 ZINC000121981017 195385405 /nfs/dbraw/zinc/38/54/05/195385405.db2.gz RCBGJNIICKPJJM-SWLSCSKDSA-N 1 0 307.463 2.217 10 0 DEAERO 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2.430 10 0 DEAERO [NH3+]Cc1cc(F)ccc1NS(=O)(=O)CCc1ccccc1 ZINC000126135171 195812174 /nfs/dbraw/zinc/81/21/74/195812174.db2.gz IQZLPULQRXRXPR-UHFFFAOYSA-N 1 0 308.378 2.269 10 0 DEAERO C[NH2+]C[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000125538836 195760063 /nfs/dbraw/zinc/76/00/63/195760063.db2.gz NRTFCMJHVKTFEJ-JTQLQIEISA-N 1 0 303.189 2.054 10 0 DEAERO COCCOCCOc1ccc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000125578680 195764302 /nfs/dbraw/zinc/76/43/02/195764302.db2.gz MATBSRZINQTYTL-UHFFFAOYSA-N 1 0 306.284 2.031 10 0 DEAERO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)C(=O)N(C)C ZINC000127400071 195873311 /nfs/dbraw/zinc/87/33/11/195873311.db2.gz CRGPLMQRKFURCV-MRVPVSSYSA-N 1 0 303.175 2.155 10 0 DEAERO CC(C)OC[C@@H](O)COc1ccc(Br)c(C[NH3+])c1 ZINC000128032268 195931023 /nfs/dbraw/zinc/93/10/23/195931023.db2.gz XEXGPCIGVKVBJR-LLVKDONJSA-N 1 0 318.211 2.073 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)Nc2cnn(CC(C)C)c2)CC1 ZINC000545162479 285392793 /nfs/dbraw/zinc/39/27/93/285392793.db2.gz HMJBLDDQNHQZCO-UHFFFAOYSA-N 1 0 305.426 2.313 10 0 DEAERO C[C@@H](CC(=O)N1CC[NH+](C2CCCC2)CC1)c1cnn(C)c1 ZINC000411330813 533417276 /nfs/dbraw/zinc/41/72/76/533417276.db2.gz XQZOUGRDHCSOPE-AWEZNQCLSA-N 1 0 304.438 2.001 10 0 DEAERO CCN(CC)C(=O)C1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000120105586 132139194 /nfs/dbraw/zinc/13/91/94/132139194.db2.gz DLSJMJOQGMZTKV-AWEZNQCLSA-N 1 0 323.481 2.014 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)NCCC[NH+]2CCCC2)s1 ZINC000175776698 132515291 /nfs/dbraw/zinc/51/52/91/132515291.db2.gz MDVRETXFXQWHEU-LBPRGKRZSA-N 1 0 311.451 2.375 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000237508448 132559157 /nfs/dbraw/zinc/55/91/57/132559157.db2.gz MCWYPTACVIYZPY-STQMWFEESA-N 1 0 320.481 2.110 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3cccs3)C2)C1 ZINC000245974987 132574702 /nfs/dbraw/zinc/57/47/02/132574702.db2.gz BMPNIOUUHAHZMO-ZIAGYGMSSA-N 1 0 323.462 2.315 10 0 DEAERO CN(CC(=O)NC1CC([NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000357859167 133105295 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O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N1CC[NH+]2CCC1CC2 ZINC000188617767 145014243 /nfs/dbraw/zinc/01/42/43/145014243.db2.gz JIDIWHDOFOXGRI-ZFWWWQNUSA-N 1 0 306.356 2.375 10 0 DEAERO O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188711098 145016179 /nfs/dbraw/zinc/01/61/79/145016179.db2.gz LODRDLCPSFQPFP-TVQRCGJNSA-N 1 0 314.320 2.461 10 0 DEAERO COC(=O)CC1(CC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCCC1 ZINC000189210531 145024131 /nfs/dbraw/zinc/02/41/31/145024131.db2.gz JSXOMRXNZNHFST-OAHLLOKOSA-N 1 0 322.449 2.197 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCC(F)(F)C(F)(F)F ZINC000189311282 145025231 /nfs/dbraw/zinc/02/52/31/145025231.db2.gz OVNMLWKLCRXASQ-GHMZBOCLSA-N 1 0 316.314 2.369 10 0 DEAERO Cc1cnn(-c2ccncc2NC(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000189724795 145032961 /nfs/dbraw/zinc/03/29/61/145032961.db2.gz XVKJFVUJZQNXTK-OLZOCXBDSA-N 1 0 300.362 2.329 10 0 DEAERO C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)CC1(O)CCOCC1 ZINC000189751867 145033394 /nfs/dbraw/zinc/03/33/94/145033394.db2.gz XMDHROXVZVLZET-UHFFFAOYSA-N 1 0 320.364 2.454 10 0 DEAERO CCc1nnc(C2CC[NH+]([C@H](C)C(=O)NC(C)(C)CC)CC2)[nH]1 ZINC000190683950 145046695 /nfs/dbraw/zinc/04/66/95/145046695.db2.gz IGFZIHCJUKDVKN-GFCCVEGCSA-N 1 0 321.469 2.240 10 0 DEAERO CCOc1ccc(CC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000190742116 145046908 /nfs/dbraw/zinc/04/69/08/145046908.db2.gz KADXTDRRDQREIF-HNNXBMFYSA-N 1 0 302.418 2.371 10 0 DEAERO Cn1ccnc1[C@@H](O)C1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000190915173 145050067 /nfs/dbraw/zinc/05/00/67/145050067.db2.gz KVUKAYONXNAZGV-IRXDYDNUSA-N 1 0 321.465 2.107 10 0 DEAERO Oc1ccc(N2CC[NH+](C[C@H](O)C3CCCCC3)CC2)cc1 ZINC000191221648 145054687 /nfs/dbraw/zinc/05/46/87/145054687.db2.gz ZHOKDNXCBJZNQB-SFHVURJKSA-N 1 0 304.434 2.455 10 0 DEAERO O[C@H](C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)C1CCCCC1 ZINC000191343555 145056898 /nfs/dbraw/zinc/05/68/98/145056898.db2.gz DQVCGFQDYRNHIP-JKSUJKDBSA-N 1 0 318.465 2.345 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)C1 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10 0 DEAERO C[C@H]1CN(C(=O)C2([NH3+])CCOCC2)CC[C@@H]1c1ccccc1 ZINC000261900764 145239275 /nfs/dbraw/zinc/23/92/75/145239275.db2.gz RQWRESKDXQFPOG-HOCLYGCPSA-N 1 0 302.418 2.147 10 0 DEAERO COc1cc(C)c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000261900156 145239687 /nfs/dbraw/zinc/23/96/87/145239687.db2.gz WFDXNRALHQVPNX-OKILXGFUSA-N 1 0 318.417 2.084 10 0 DEAERO CC1(C)CN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CC[C@@H]1[NH3+] ZINC000261914964 145240862 /nfs/dbraw/zinc/24/08/62/145240862.db2.gz UERCMLTZCTXNHT-HNNXBMFYSA-N 1 0 316.380 2.211 10 0 DEAERO CCN(C[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1)CC(F)(F)F ZINC000261960256 145247078 /nfs/dbraw/zinc/24/70/78/145247078.db2.gz HFFQQPNZQBWVQC-KGLIPLIRSA-N 1 0 307.404 2.192 10 0 DEAERO COCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261999800 145252332 /nfs/dbraw/zinc/25/23/32/145252332.db2.gz UKDWXEBKEZZNJY-KZNAEPCWSA-N 1 0 304.434 2.080 10 0 DEAERO c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000262035117 145255546 /nfs/dbraw/zinc/25/55/46/145255546.db2.gz XXSIYIDYQUMYEI-MTHXSQLBSA-N 1 0 300.446 2.364 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CCOCC1 ZINC000262042996 145255802 /nfs/dbraw/zinc/25/58/02/145255802.db2.gz CCCPOGRJQHEIBQ-UHFFFAOYSA-N 1 0 301.346 2.152 10 0 DEAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cc(C(F)(F)F)ccc1Cl ZINC000262122077 145264035 /nfs/dbraw/zinc/26/40/35/145264035.db2.gz MJCKSHOZSBGZEH-CABZTGNLSA-N 1 0 308.731 2.029 10 0 DEAERO C[C@H]1CCC[C@@H](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262142337 145265113 /nfs/dbraw/zinc/26/51/13/145265113.db2.gz HFXJESTXZBFKAS-DIECFANBSA-N 1 0 318.465 2.056 10 0 DEAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1ccc2c(c1)CCCC2 ZINC000262139086 145265592 /nfs/dbraw/zinc/26/55/92/145265592.db2.gz MESQNVDGQAHBPE-ZDUSSCGKSA-N 1 0 302.418 2.251 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)C1 ZINC000262255714 145272363 /nfs/dbraw/zinc/27/23/63/145272363.db2.gz FDUORFVQJJRONV-BFHYXJOUSA-N 1 0 318.421 2.171 10 0 DEAERO CC(C)C(=O)Nc1ccc(N[C@@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000262298435 145274345 /nfs/dbraw/zinc/27/43/45/145274345.db2.gz OFGKJVBPSJSZJU-XJKSGUPXSA-N 1 0 305.422 2.460 10 0 DEAERO Cc1ccc([C@@H]2CCCN2C(=O)C[C@H]2COCC[NH2+]2)cc1C ZINC000262347982 145277864 /nfs/dbraw/zinc/27/78/64/145277864.db2.gz GCTXOAFJEJHVMY-IRXDYDNUSA-N 1 0 302.418 2.345 10 0 DEAERO O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000262511204 145288932 /nfs/dbraw/zinc/28/89/32/145288932.db2.gz JPUSMTBNBXPBIM-IXDOHACOSA-N 1 0 302.418 2.208 10 0 DEAERO C[C@@H]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000262506831 145288986 /nfs/dbraw/zinc/28/89/86/145288986.db2.gz MMTTVHVUSDMAKQ-ZFHCCXERSA-N 1 0 308.466 2.461 10 0 DEAERO COC[C@H]([NH3+])C(=O)Nc1nc(C)c(Cc2cccc(C)c2)s1 ZINC000262542484 145291518 /nfs/dbraw/zinc/29/15/18/145291518.db2.gz NLUTVXYMINBYOK-ZDUSSCGKSA-N 1 0 319.430 2.263 10 0 DEAERO CC(C)N(C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000262554090 145292313 /nfs/dbraw/zinc/29/23/13/145292313.db2.gz SYMWSRNRCZHHRP-MRXNPFEDSA-N 1 0 303.450 2.487 10 0 DEAERO C[C@@H]1Cc2ccccc2N1C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262573575 145294251 /nfs/dbraw/zinc/29/42/51/145294251.db2.gz XTPLJDIEIIONND-CZUORRHYSA-N 1 0 301.434 2.023 10 0 DEAERO C[C@H](C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)C1C[NH2+]C1 ZINC000262585123 145295328 /nfs/dbraw/zinc/29/53/28/145295328.db2.gz VELYLRMJMLTFKO-ZLIFDBKOSA-N 1 0 318.417 2.163 10 0 DEAERO C[C@H](NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000262587101 145295714 /nfs/dbraw/zinc/29/57/14/145295714.db2.gz ZWJPMQRMFMRBNS-WLLUSJSYSA-N 1 0 302.418 2.396 10 0 DEAERO Cc1ccn2ncc(C(=O)NCC[NH2+]C3CCCCCC3)c2n1 ZINC000262612929 145296569 /nfs/dbraw/zinc/29/65/69/145296569.db2.gz WMMYKIUVNMLJFR-UHFFFAOYSA-N 1 0 315.421 2.080 10 0 DEAERO Cc1ccc([C@@H](O)CNC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000262649892 145298083 /nfs/dbraw/zinc/29/80/83/145298083.db2.gz URQGQSZBVDSDMP-YOEHRIQHSA-N 1 0 304.434 2.170 10 0 DEAERO O=C(Nc1ccnc2ccncc21)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262704126 145300645 /nfs/dbraw/zinc/30/06/45/145300645.db2.gz BGCRWCNBOQHCFM-LBPRGKRZSA-N 1 0 322.372 2.003 10 0 DEAERO C[C@H]([NH3+])CCC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000262707353 145300944 /nfs/dbraw/zinc/30/09/44/145300944.db2.gz BUBMQFLAKCQNNR-QMMMGPOBSA-N 1 0 305.209 2.044 10 0 DEAERO CSc1ccc(C)c(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000262750470 145303414 /nfs/dbraw/zinc/30/34/14/145303414.db2.gz BQDRTERKMHRZKY-UHFFFAOYSA-N 1 0 302.403 2.338 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000262769043 145304494 /nfs/dbraw/zinc/30/44/94/145304494.db2.gz LREHCYXYCPHDIK-PSASIEDQSA-N 1 0 323.245 2.270 10 0 DEAERO Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262808941 145306344 /nfs/dbraw/zinc/30/63/44/145306344.db2.gz OPWZDLPLDQLKMM-KOLCDFICSA-N 1 0 305.403 2.439 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)C2=Cc3cc(Cl)ccc3OC2)CC[NH2+]1 ZINC000262952247 145313518 /nfs/dbraw/zinc/31/35/18/145313518.db2.gz VNEFXCRMXJVJLY-HZMBPMFUSA-N 1 0 306.793 2.373 10 0 DEAERO CC(C)Cc1ccc(Cc2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263203183 145335958 /nfs/dbraw/zinc/33/59/58/145335958.db2.gz JIUDNHSOWMYSQB-MRXNPFEDSA-N 1 0 314.433 2.435 10 0 DEAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000263203914 145335990 /nfs/dbraw/zinc/33/59/90/145335990.db2.gz JKAVNQODMKJDJF-SKDRFNHKSA-N 1 0 308.731 2.029 10 0 DEAERO CCOC(=O)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309681451 145350214 /nfs/dbraw/zinc/35/02/14/145350214.db2.gz AQNPNYSWYUQCTF-IXDOHACOSA-N 1 0 302.418 2.050 10 0 DEAERO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cn[nH]c1 ZINC000309935753 145350387 /nfs/dbraw/zinc/35/03/87/145350387.db2.gz YEHIZVVSKRDTMU-USXIJHARSA-N 1 0 310.401 2.050 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@@H](n3cccn3)C2)[C@H]1C ZINC000332715750 145386138 /nfs/dbraw/zinc/38/61/38/145386138.db2.gz HEQSZARRFXLKDY-TWMKSMIVSA-N 1 0 318.465 2.461 10 0 DEAERO Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000332829783 145389003 /nfs/dbraw/zinc/38/90/03/145389003.db2.gz CSFYWXAFCONIEZ-KCPJHIHWSA-N 1 0 320.437 2.131 10 0 DEAERO O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261946321 304339508 /nfs/dbraw/zinc/33/95/08/304339508.db2.gz VQASXRZNBSMCSO-BRSBDYLESA-N 1 0 314.429 2.365 10 0 DEAERO c1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)nc(C2CC2)n1 ZINC000565224795 292148607 /nfs/dbraw/zinc/14/86/07/292148607.db2.gz MBNQPPJSYAVWMA-HNNXBMFYSA-N 1 0 302.422 2.045 10 0 DEAERO CC(C)(C)c1cnc(NC(=O)NCCNc2cc[nH+]cc2)s1 ZINC000551935944 285922258 /nfs/dbraw/zinc/92/22/58/285922258.db2.gz BOGFZJSZTDDGJV-UHFFFAOYSA-N 1 0 319.434 2.491 10 0 DEAERO CN(C(=O)c1ccncc1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000357255528 147074621 /nfs/dbraw/zinc/07/46/21/147074621.db2.gz MMYJXDPXALDIQE-CYBMUJFWSA-N 1 0 324.222 2.010 10 0 DEAERO CO[C@@]1(C)C[C@@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)C1(C)C ZINC000358648992 147173570 /nfs/dbraw/zinc/17/35/70/147173570.db2.gz MWUPUUGNQDYMDG-QAPCUYQASA-N 1 0 323.481 2.483 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC(C)(CCOC)C1 ZINC000358758662 147197953 /nfs/dbraw/zinc/19/79/53/147197953.db2.gz ADLWKBQIFVEVTP-OAHLLOKOSA-N 1 0 311.470 2.319 10 0 DEAERO CC[C@H](C(=O)N1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000359293951 147301282 /nfs/dbraw/zinc/30/12/82/147301282.db2.gz PHCLHYFKYBTQSV-KRWDZBQOSA-N 1 0 321.440 2.025 10 0 DEAERO C[NH+]1CCC(C)(CNC(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000360710879 147372200 /nfs/dbraw/zinc/37/22/00/147372200.db2.gz CRJLZLLDKOUVCD-UHFFFAOYSA-N 1 0 315.421 2.094 10 0 DEAERO O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000367179211 147722543 /nfs/dbraw/zinc/72/25/43/147722543.db2.gz NIMNYCZRIIEGCQ-CWLKWCNXSA-N 1 0 314.429 2.445 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000370389665 148013820 /nfs/dbraw/zinc/01/38/20/148013820.db2.gz KUQTXZZXWGXESF-AWEZNQCLSA-N 1 0 320.481 2.438 10 0 DEAERO c1[nH]nc2cc(C[NH+]3CCC(c4nnc5n4CCC5)CC3)ccc12 ZINC000371366050 148093645 /nfs/dbraw/zinc/09/36/45/148093645.db2.gz IXEKYPUQXHRDJT-UHFFFAOYSA-N 1 0 322.416 2.480 10 0 DEAERO Cc1ccnc(C2CCN(C(=O)c3ccc4nccn4c3)CC2)n1 ZINC000371782994 148140013 /nfs/dbraw/zinc/14/00/13/148140013.db2.gz DRUBONMJCNHMMF-UHFFFAOYSA-N 1 0 321.384 2.453 10 0 DEAERO O=C(c1ccnc2ccncc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000372316002 148193765 /nfs/dbraw/zinc/19/37/65/148193765.db2.gz PBOQSEJZHAFBBQ-CQSZACIVSA-N 1 0 310.401 2.330 10 0 DEAERO C=Cn1cc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cn1 ZINC000374281961 148225277 /nfs/dbraw/zinc/22/52/77/148225277.db2.gz ZZAKMPZCTLPNIG-YOEHRIQHSA-N 1 0 310.401 2.263 10 0 DEAERO CC1CC[NH+](CCN2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000375433055 148372792 /nfs/dbraw/zinc/37/27/92/148372792.db2.gz LBFJPCZYEXODHT-OAHLLOKOSA-N 1 0 304.438 2.468 10 0 DEAERO CCOC(=O)CCCC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375446559 148373373 /nfs/dbraw/zinc/37/33/73/148373373.db2.gz XNJLUUIXPHQGQP-CYBMUJFWSA-N 1 0 307.394 2.470 10 0 DEAERO Cc1nccn1CCC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375463572 148376294 /nfs/dbraw/zinc/37/62/94/148376294.db2.gz CSASPTLROYXLDU-AWEZNQCLSA-N 1 0 301.394 2.332 10 0 DEAERO COc1ccnc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375463406 148376650 /nfs/dbraw/zinc/37/66/50/148376650.db2.gz BLHKTIGSMMNHKC-GFCCVEGCSA-N 1 0 300.362 2.340 10 0 DEAERO CCC1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000073782003 401721896 /nfs/dbraw/zinc/72/18/96/401721896.db2.gz LPTNZAPDMZODBE-KLAILNCOSA-N 1 0 324.513 2.138 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC=O)cc2)[C@H](C)C1 ZINC000073949265 401725997 /nfs/dbraw/zinc/72/59/97/401725997.db2.gz XOCDXMCFCJNVHM-CZUORRHYSA-N 1 0 303.406 2.057 10 0 DEAERO C[C@@H](CNC(=O)N(C)C[C@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000111875824 401727233 /nfs/dbraw/zinc/72/72/33/401727233.db2.gz DYWWVGHMCMHJDF-DOTOQJQBSA-N 1 0 319.449 2.327 10 0 DEAERO CC(C)COC1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000127323338 401729039 /nfs/dbraw/zinc/72/90/39/401729039.db2.gz PCZLBUMIWYBKBY-LSDHHAIUSA-N 1 0 323.481 2.458 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](CC(C)C)C1 ZINC000074167514 401731865 /nfs/dbraw/zinc/73/18/65/401731865.db2.gz FCJFADNQCOKPOX-JKSUJKDBSA-N 1 0 311.470 2.175 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000127586446 401741144 /nfs/dbraw/zinc/74/11/44/401741144.db2.gz WJMOLTKHDLYCAV-FZMZJTMJSA-N 1 0 323.824 2.220 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000127585981 401741308 /nfs/dbraw/zinc/74/13/08/401741308.db2.gz WJMOLTKHDLYCAV-SMDDNHRTSA-N 1 0 323.824 2.220 10 0 DEAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccncc2)ncn1 ZINC000111227155 401701334 /nfs/dbraw/zinc/70/13/34/401701334.db2.gz NBPAKKRERLVBBF-DZGCQCFKSA-N 1 0 312.421 2.233 10 0 DEAERO CC[C@H]1CN(Cc2ccc3c(c2)CCO3)CC[N@@H+]1CCOC ZINC000111228137 401702409 /nfs/dbraw/zinc/70/24/09/401702409.db2.gz OGUBKUGAZJLATN-KRWDZBQOSA-N 1 0 304.434 2.164 10 0 DEAERO COc1cc(OCc2ccccc2)c([C@@H]([NH3+])CO)cc1OC ZINC000072199790 401703669 /nfs/dbraw/zinc/70/36/69/401703669.db2.gz MHOFEXXFBOBIKO-AWEZNQCLSA-N 1 0 303.358 2.275 10 0 DEAERO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000111265559 401705263 /nfs/dbraw/zinc/70/52/63/401705263.db2.gz PSGOLVGQPLXUKO-NSHDSACASA-N 1 0 324.808 2.165 10 0 DEAERO COc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2cccc(C)c2)cc1 ZINC000008031183 401747625 /nfs/dbraw/zinc/74/76/25/401747625.db2.gz DCTOUNABCNAELR-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000076962943 401801837 /nfs/dbraw/zinc/80/18/37/401801837.db2.gz AVPSVSYPAFWEOL-ZBFHGGJFSA-N 1 0 308.397 2.222 10 0 DEAERO CCn1cnnc1[C@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000129770923 401808720 /nfs/dbraw/zinc/80/87/20/401808720.db2.gz RJAYHGJKLNPBAW-ZDUSSCGKSA-N 1 0 323.441 2.002 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000127894758 401754334 /nfs/dbraw/zinc/75/43/34/401754334.db2.gz IKJCCNUXYYGOCG-UHFFFAOYSA-N 1 0 313.804 2.444 10 0 DEAERO Cc1nc(CN2CCC[N@H+](CC3CCOCC3)CC2)cs1 ZINC000112697855 401754591 /nfs/dbraw/zinc/75/45/91/401754591.db2.gz GIKSLXURGHVUMM-UHFFFAOYSA-N 1 0 309.479 2.386 10 0 DEAERO C[C@@H]1CC[C@@H](C)N(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000075285895 401756475 /nfs/dbraw/zinc/75/64/75/401756475.db2.gz QOMMKMUURGROQQ-HUUCEWRRSA-N 1 0 316.449 2.094 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCOCC(C)C)[C@H](C)C1 ZINC000128070000 401761389 /nfs/dbraw/zinc/76/13/89/401761389.db2.gz ZEESSSWMWYDMQK-HZPDHXFCSA-N 1 0 313.486 2.421 10 0 DEAERO CC(C)[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CCOCC1 ZINC000077323691 401809955 /nfs/dbraw/zinc/80/99/55/401809955.db2.gz FXLNCGSRWBMUKN-DLBZAZTESA-N 1 0 324.465 2.046 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(C)(C)C)nn1C ZINC000113224375 401770581 /nfs/dbraw/zinc/77/05/81/401770581.db2.gz KORLIDCZRCFTLX-CHWSQXEVSA-N 1 0 304.438 2.026 10 0 DEAERO Cc1nn(-c2ccccc2)cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113229912 401771198 /nfs/dbraw/zinc/77/11/98/401771198.db2.gz DHMFGRKHINCNFR-YOEHRIQHSA-N 1 0 324.428 2.489 10 0 DEAERO Cc1noc2nc(C)cc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c12 ZINC000113233196 401771728 /nfs/dbraw/zinc/77/17/28/401771728.db2.gz PNVQYXJGSBRLDI-AAEUAGOBSA-N 1 0 314.389 2.148 10 0 DEAERO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1OC ZINC000113233604 401772119 /nfs/dbraw/zinc/77/21/19/401772119.db2.gz WQZZDLXSTARDIC-TZMCWYRMSA-N 1 0 304.390 2.013 10 0 DEAERO COc1ccc(OC)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113233818 401772565 /nfs/dbraw/zinc/77/25/65/401772565.db2.gz MNLQKGUHHIFNOB-CHWSQXEVSA-N 1 0 304.390 2.013 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000113233828 401772603 /nfs/dbraw/zinc/77/26/03/401772603.db2.gz CICMUXGYKHPNFI-RLWBPUTGSA-N 1 0 314.385 2.124 10 0 DEAERO Cc1ccc(C)c(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113270552 401773991 /nfs/dbraw/zinc/77/39/91/401773991.db2.gz XFSPWJRVUXZMGW-HOTGVXAUSA-N 1 0 301.434 2.410 10 0 DEAERO C[C@@](O)(C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccccc1 ZINC000075969094 401775212 /nfs/dbraw/zinc/77/52/12/401775212.db2.gz LKIYJPFWCVXBAF-RTBURBONSA-N 1 0 318.461 2.081 10 0 DEAERO COC(=O)c1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113367062 401777511 /nfs/dbraw/zinc/77/75/11/401777511.db2.gz UGRPHYWVNJKRTH-SWLSCSKDSA-N 1 0 317.389 2.174 10 0 DEAERO c1ccc(-c2noc(CCN3CCC[N@@H+](C4CC4)CC3)n2)cc1 ZINC000077316120 401810456 /nfs/dbraw/zinc/81/04/56/401810456.db2.gz IESWLYFYOFCSBR-UHFFFAOYSA-N 1 0 312.417 2.449 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000113453250 401779223 /nfs/dbraw/zinc/77/92/23/401779223.db2.gz IVBDOUSRSMKUNE-MRXNPFEDSA-N 1 0 320.481 2.109 10 0 DEAERO C[C@H](c1nc(-c2cccnc2)no1)N1CC[C@H](C[NH+](C)C)C1 ZINC000113516269 401781481 /nfs/dbraw/zinc/78/14/81/401781481.db2.gz HMRZKIYPHVCYDB-CHWSQXEVSA-N 1 0 301.394 2.076 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000128665969 401787135 /nfs/dbraw/zinc/78/71/35/401787135.db2.gz ABBSXKDAQDCVQT-DANNLKNASA-N 1 0 315.417 2.281 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)COCc2ccccc2)[C@H](C)C1 ZINC000076481331 401796110 /nfs/dbraw/zinc/79/61/10/401796110.db2.gz LBXSELYWTQRAJP-WBVHZDCISA-N 1 0 304.434 2.392 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(OC)cc2)[C@H](C)C1 ZINC000076483668 401796421 /nfs/dbraw/zinc/79/64/21/401796421.db2.gz DQQMAWHQCRINLW-PBHICJAKSA-N 1 0 304.434 2.426 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COc3ccccc32)[C@H](C)C1 ZINC000076489435 401796679 /nfs/dbraw/zinc/79/66/79/401796679.db2.gz MSXHRBTXLINZHG-BMFZPTHFSA-N 1 0 302.418 2.351 10 0 DEAERO CCC([NH3+])(CC)CNS(=O)(=O)c1cccc(Cl)c1C ZINC000130038664 401816599 /nfs/dbraw/zinc/81/65/99/401816599.db2.gz BTGDUWAWPBMZHU-UHFFFAOYSA-N 1 0 304.843 2.444 10 0 DEAERO C[C@@H](CNC(=O)C(C)(C)c1cccs1)C[NH+]1CCN(C)CC1 ZINC000115383984 401826040 /nfs/dbraw/zinc/82/60/40/401826040.db2.gz FFCIONTWNFCARD-AWEZNQCLSA-N 1 0 323.506 2.025 10 0 DEAERO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)[C@H](C)CO ZINC000077757042 401829210 /nfs/dbraw/zinc/82/92/10/401829210.db2.gz XIAIZPJHOKKABE-CABCVRRESA-N 1 0 321.465 2.345 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](CCO)c1ccccc1 ZINC000077774003 401830060 /nfs/dbraw/zinc/83/00/60/401830060.db2.gz COCJRVYFSCZVJD-NVXWUHKLSA-N 1 0 321.465 2.182 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)CCC1=O ZINC000077900191 401836028 /nfs/dbraw/zinc/83/60/28/401836028.db2.gz NYPSIIOCXGGIAO-NSHDSACASA-N 1 0 302.296 2.296 10 0 DEAERO Cn1cncc1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000132700401 401871647 /nfs/dbraw/zinc/87/16/47/401871647.db2.gz FYNNSICBOAAJEE-HZPDHXFCSA-N 1 0 306.360 2.233 10 0 DEAERO COc1ccnc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000116200594 401844852 /nfs/dbraw/zinc/84/48/52/401844852.db2.gz LRHXAXXSTIUTDB-UHFFFAOYSA-N 1 0 303.406 2.038 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c(F)cccc1Cl ZINC000131225274 401846521 /nfs/dbraw/zinc/84/65/21/401846521.db2.gz YBFIRXDZKJLYEM-SNVBAGLBSA-N 1 0 322.833 2.488 10 0 DEAERO CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1)C(C)C ZINC000116321613 401850129 /nfs/dbraw/zinc/85/01/29/401850129.db2.gz FUJAWGSEMJCQHU-GJZGRUSLSA-N 1 0 306.454 2.243 10 0 DEAERO COc1c(C)cnc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1C ZINC000116322876 401850343 /nfs/dbraw/zinc/85/03/43/401850343.db2.gz PTTBLIMIEVBECZ-AWEZNQCLSA-N 1 0 300.406 2.430 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)NC(N)=O ZINC000028878382 401853165 /nfs/dbraw/zinc/85/31/65/401853165.db2.gz JNDMSXHQRQBEOU-NKWVEPMBSA-N 1 0 304.177 2.227 10 0 DEAERO CC(C)CCN(C(=O)NCCCC[NH+]1CCOCC1)C1CC1 ZINC000079391975 401872473 /nfs/dbraw/zinc/87/24/73/401872473.db2.gz ADKYRIXKNZGMOK-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(C[S@@](C)=O)c1 ZINC000078614826 401858424 /nfs/dbraw/zinc/85/84/24/401858424.db2.gz IQWLWFQBHDTECD-ZHRRBRCNSA-N 1 0 324.490 2.271 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)NCCc1cscn1)c1ccccc1 ZINC000131900787 401858753 /nfs/dbraw/zinc/85/87/53/401858753.db2.gz ZJVVKXLITUNRHQ-OAHLLOKOSA-N 1 0 318.446 2.288 10 0 DEAERO CCCc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)[nH]n1 ZINC000030027785 401861071 /nfs/dbraw/zinc/86/10/71/401861071.db2.gz WQTLZSXJUXVVRX-MRXNPFEDSA-N 1 0 300.406 2.395 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000117036180 401867061 /nfs/dbraw/zinc/86/70/61/401867061.db2.gz JTUCIAPJLLBRDU-ZBFHGGJFSA-N 1 0 305.422 2.028 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(C(=O)OC)cc1 ZINC000031099294 401868270 /nfs/dbraw/zinc/86/82/70/401868270.db2.gz KSGJEXBISARGTF-ZDUSSCGKSA-N 1 0 321.421 2.003 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)C2(O)CCCCC2)ccc1F ZINC000086587201 401924579 /nfs/dbraw/zinc/92/45/79/401924579.db2.gz DIZPKUWOZPBMTE-UHFFFAOYSA-N 1 0 308.397 2.199 10 0 DEAERO c1ccc(-c2noc(-c3ccnc(N4CC[NH2+]CC4)c3)n2)cc1 ZINC000040351952 401925043 /nfs/dbraw/zinc/92/50/43/401925043.db2.gz CWWRFKKWGKUENM-UHFFFAOYSA-N 1 0 307.357 2.208 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000119198542 401932369 /nfs/dbraw/zinc/93/23/69/401932369.db2.gz GWARQBKJCWWWMF-HOTGVXAUSA-N 1 0 309.454 2.119 10 0 DEAERO C[NH+](C)CCCC1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000133308237 401881530 /nfs/dbraw/zinc/88/15/30/401881530.db2.gz KFQULIDHAKISEF-UHFFFAOYSA-N 1 0 318.465 2.413 10 0 DEAERO COc1cc(C[NH2+][C@@H]2CCO[C@@H]2C)cc(Br)c1O ZINC000135312043 401935337 /nfs/dbraw/zinc/93/53/37/401935337.db2.gz SIDMTCYVGRJIFF-LDYMZIIASA-N 1 0 316.195 2.430 10 0 DEAERO CCc1cnc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)s1 ZINC000080533288 401890481 /nfs/dbraw/zinc/89/04/81/401890481.db2.gz WQXQGSUETQOIQG-UHFFFAOYSA-N 1 0 322.478 2.475 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCn2ccnc21 ZINC000080653671 401890659 /nfs/dbraw/zinc/89/06/59/401890659.db2.gz VJZIBIRUODXUME-LSDHHAIUSA-N 1 0 304.438 2.141 10 0 DEAERO O=C1CCCN1C[C@@H](O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000033895811 401892348 /nfs/dbraw/zinc/89/23/48/401892348.db2.gz NZWUBIVBYPPDDB-SFHVURJKSA-N 1 0 324.424 2.349 10 0 DEAERO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C1CC1 ZINC000036031012 401901378 /nfs/dbraw/zinc/90/13/78/401901378.db2.gz NBDKODUBPGHYJN-INIZCTEOSA-N 1 0 321.417 2.364 10 0 DEAERO [NH3+]CC(=O)Nc1cc(Br)ccc1Br ZINC000037047036 401910064 /nfs/dbraw/zinc/91/00/64/401910064.db2.gz PWYIPFWRXHTPBO-UHFFFAOYSA-N 1 0 307.973 2.109 10 0 DEAERO C[NH+](C)C1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000134984205 401922625 /nfs/dbraw/zinc/92/26/25/401922625.db2.gz NCRXVDNOXOUEFZ-UHFFFAOYSA-N 1 0 320.824 2.103 10 0 DEAERO Clc1ccc(CSc2nnnn2C[C@@H]2CCC[NH2+]2)cc1 ZINC000038342192 401922807 /nfs/dbraw/zinc/92/28/07/401922807.db2.gz JCEGBHVPQLJJQT-LBPRGKRZSA-N 1 0 309.826 2.371 10 0 DEAERO O=c1c(C[NH2+]CCCn2ccnc2)cc2cccc3c2n1CCC3 ZINC000039287260 401924053 /nfs/dbraw/zinc/92/40/53/401924053.db2.gz XQJWXQKBFMBQJO-UHFFFAOYSA-N 1 0 322.412 2.324 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)C1CCCCC1 ZINC000136078648 401959063 /nfs/dbraw/zinc/95/90/63/401959063.db2.gz UWMNIFAQAYQSAE-NVXWUHKLSA-N 1 0 307.482 2.336 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1cccs1 ZINC000136076039 401959238 /nfs/dbraw/zinc/95/92/38/401959238.db2.gz VEHXNXWKPJDUQG-HUUCEWRRSA-N 1 0 321.490 2.265 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccnc1OCC(F)F ZINC000089736692 401959352 /nfs/dbraw/zinc/95/93/52/401959352.db2.gz HZTQYJSSALUIPR-NSHDSACASA-N 1 0 315.364 2.186 10 0 DEAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000119582846 401960385 /nfs/dbraw/zinc/96/03/85/401960385.db2.gz SYEOECOUXNYZNN-NWDGAFQWSA-N 1 0 312.385 2.026 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000136250276 401963913 /nfs/dbraw/zinc/96/39/13/401963913.db2.gz HOOLSVVTOCMACZ-WBVHZDCISA-N 1 0 311.470 2.055 10 0 DEAERO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000119900442 401971001 /nfs/dbraw/zinc/97/10/01/401971001.db2.gz YJDZKTNGSVZAFI-ROUUACIJSA-N 1 0 321.509 2.299 10 0 DEAERO Cn1ccnc1C[C@@H]1CCC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000090003975 401978916 /nfs/dbraw/zinc/97/89/16/401978916.db2.gz IFYCTVPOQRXUFY-HNNXBMFYSA-N 1 0 320.481 2.227 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H](c2nccc3[nH]ccc32)[C@H]([NH3+])C1 ZINC000089220766 401938878 /nfs/dbraw/zinc/93/88/78/401938878.db2.gz VCNPCIVVKYWICT-VXGBXAGGSA-N 1 0 302.378 2.225 10 0 DEAERO Nc1c(Br)cc(Br)cc1[C@@H]([NH3+])CCO ZINC000044233353 401940655 /nfs/dbraw/zinc/94/06/55/401940655.db2.gz VNCQWTNKHVFWTC-QMMMGPOBSA-N 1 0 324.016 2.176 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Oc2cnccn2)c1 ZINC000135492607 401941961 /nfs/dbraw/zinc/94/19/61/401941961.db2.gz PWVCJSNRAGZUKU-AWEZNQCLSA-N 1 0 312.373 2.093 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC1(O)CCCCCC1 ZINC000135636137 401948820 /nfs/dbraw/zinc/94/88/20/401948820.db2.gz KRNZYLYZOYXSGY-KRWDZBQOSA-N 1 0 318.461 2.361 10 0 DEAERO CCn1nc(C)c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000089480861 401949586 /nfs/dbraw/zinc/94/95/86/401949586.db2.gz YHTBGWKKXUZSOU-SMDDNHRTSA-N 1 0 305.426 2.220 10 0 DEAERO COC(=O)[C@H](C)C[N@H+](CC(=O)NC(C)(C)C)Cc1ccccc1 ZINC000121083934 402013706 /nfs/dbraw/zinc/01/37/06/402013706.db2.gz YWUSXSHCFNPRCY-CQSZACIVSA-N 1 0 320.433 2.212 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(COC)ncn1 ZINC000093312195 402013911 /nfs/dbraw/zinc/01/39/11/402013911.db2.gz SMQRFBYPBWTMBZ-CQSZACIVSA-N 1 0 321.425 2.009 10 0 DEAERO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NCC(F)(F)F)C12CCCC2 ZINC000121134289 402016874 /nfs/dbraw/zinc/01/68/74/402016874.db2.gz XKPKYELSJBJGEG-NWDGAFQWSA-N 1 0 322.371 2.335 10 0 DEAERO Cc1cnc(CCN(C)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000121217093 402021183 /nfs/dbraw/zinc/02/11/83/402021183.db2.gz AJWGNCKXCDPDEN-ZDUSSCGKSA-N 1 0 322.478 2.120 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]CC(=O)c2ccco2)C1 ZINC000095083946 402024808 /nfs/dbraw/zinc/02/48/08/402024808.db2.gz ARIOQIROAXUCPP-GFCCVEGCSA-N 1 0 308.378 2.309 10 0 DEAERO CC[NH2+][C@H](CCO)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095091391 402025633 /nfs/dbraw/zinc/02/56/33/402025633.db2.gz BAILZXAZBHRSGC-DLBZAZTESA-N 1 0 320.433 2.396 10 0 DEAERO C[C@@H](N[C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)NC(C)(C)C ZINC000151254243 402026029 /nfs/dbraw/zinc/02/60/29/402026029.db2.gz OYODYTUOSVGUSD-QWHCGFSZSA-N 1 0 315.421 2.221 10 0 DEAERO C[NH2+]CCCNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000121328312 402028857 /nfs/dbraw/zinc/02/88/57/402028857.db2.gz XUZYSMPHNTXKLR-UHFFFAOYSA-N 1 0 313.239 2.452 10 0 DEAERO O[C@H](CN[C@@H]1CCCOc2ccccc21)C[NH+]1CCCCC1 ZINC000151309705 402029308 /nfs/dbraw/zinc/02/93/08/402029308.db2.gz FEVQCHXORMGSMN-NVXWUHKLSA-N 1 0 304.434 2.337 10 0 DEAERO O[C@@H](C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)C(F)(F)F ZINC000121380658 402032064 /nfs/dbraw/zinc/03/20/64/402032064.db2.gz HVQGVJNITXBJSQ-KGLIPLIRSA-N 1 0 303.324 2.448 10 0 DEAERO O=C([C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)N1CCOCC1 ZINC000051530996 402034736 /nfs/dbraw/zinc/03/47/36/402034736.db2.gz BHQGTHJXGAELHM-CYBMUJFWSA-N 1 0 324.371 2.036 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1cccnc1 ZINC000151545049 402042834 /nfs/dbraw/zinc/04/28/34/402042834.db2.gz IVVQTQZYQRQCGT-MRXNPFEDSA-N 1 0 304.438 2.044 10 0 DEAERO CCc1oc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1C ZINC000121678419 402048433 /nfs/dbraw/zinc/04/84/33/402048433.db2.gz UNGLFSZAEVSPST-OAHLLOKOSA-N 1 0 321.465 2.152 10 0 DEAERO CCC1(CO)CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000122340501 402073935 /nfs/dbraw/zinc/07/39/35/402073935.db2.gz HRZPVAHZVRSKNZ-MQVJKMGUSA-N 1 0 323.481 2.196 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(C)=O)cn2C)[C@H](C)C1 ZINC000122346193 402074074 /nfs/dbraw/zinc/07/40/74/402074074.db2.gz ZWHMWZNEVWNQBI-DOMZBBRYSA-N 1 0 305.422 2.030 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1cccnn1 ZINC000152079043 402074723 /nfs/dbraw/zinc/07/47/23/402074723.db2.gz YZECZIMYSVCCHK-UHFFFAOYSA-N 1 0 311.389 2.394 10 0 DEAERO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)on1 ZINC000055375958 402081403 /nfs/dbraw/zinc/08/14/03/402081403.db2.gz XVUSVBNCTHGQKX-WDEREUQCSA-N 1 0 317.345 2.390 10 0 DEAERO C[NH2+]CC1CCN(C(=O)C[C@@H]2CCOc3ccccc32)CC1 ZINC000152219168 402082660 /nfs/dbraw/zinc/08/26/60/402082660.db2.gz GHIMXTKALOVNBQ-HNNXBMFYSA-N 1 0 302.418 2.401 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(-n3cccn3)c2)CC[N@@H+]1C ZINC000122666697 402089453 /nfs/dbraw/zinc/08/94/53/402089453.db2.gz YCTOUVNCCWFDIH-GDBMZVCRSA-N 1 0 312.417 2.427 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCCOc2ccc(F)cc2)C1 ZINC000057632484 402096158 /nfs/dbraw/zinc/09/61/58/402096158.db2.gz DLPGAZFNJHAVTL-HNNXBMFYSA-N 1 0 323.412 2.378 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cnn(Cc2ccccc2)c1 ZINC000152465141 402096678 /nfs/dbraw/zinc/09/66/78/402096678.db2.gz LGZFTFVWHVRBKL-PBHICJAKSA-N 1 0 312.417 2.203 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSC2CCCC2)C1 ZINC000061282305 402107452 /nfs/dbraw/zinc/10/74/52/402107452.db2.gz ZOESVMLQDTYPCQ-CQSZACIVSA-N 1 0 314.495 2.135 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccncc2Br)C1 ZINC000152822043 402110970 /nfs/dbraw/zinc/11/09/70/402110970.db2.gz JWKLSRVFQLLVDR-SNVBAGLBSA-N 1 0 312.211 2.058 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3oc2=O)CC[N@@H+]1C ZINC000123178090 402114214 /nfs/dbraw/zinc/11/42/14/402114214.db2.gz MVAKSTQFQXNIJE-OCCSQVGLSA-N 1 0 314.385 2.348 10 0 DEAERO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000152890930 402115252 /nfs/dbraw/zinc/11/52/52/402115252.db2.gz KFZQTVLAUZKGRD-KRWDZBQOSA-N 1 0 320.364 2.128 10 0 DEAERO CCc1ccc([C@@H](CNC(=O)NC[C@H](O)C(C)C)[NH+](C)C)cc1 ZINC000152947675 402118334 /nfs/dbraw/zinc/11/83/34/402118334.db2.gz OMHCKGZPKJSZSG-SJORKVTESA-N 1 0 321.465 2.168 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000097254917 402119509 /nfs/dbraw/zinc/11/95/09/402119509.db2.gz MMSMKGOHCWUKJH-XJKSGUPXSA-N 1 0 315.417 2.059 10 0 DEAERO Cc1ccccc1C[NH+]1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000054171724 402063677 /nfs/dbraw/zinc/06/36/77/402063677.db2.gz QQJISVQLXMPOEI-GOSISDBHSA-N 1 0 320.477 2.289 10 0 DEAERO CSc1ccc(O[C@@H](C)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000151930544 402066364 /nfs/dbraw/zinc/06/63/64/402066364.db2.gz NUIUFHLKWFEIJC-STQMWFEESA-N 1 0 308.447 2.386 10 0 DEAERO C[C@@H](CCO)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000097441451 402125169 /nfs/dbraw/zinc/12/51/69/402125169.db2.gz QSVJRBOEMHBXPQ-QWRGUYRKSA-N 1 0 322.232 2.341 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000123480357 402129769 /nfs/dbraw/zinc/12/97/69/402129769.db2.gz DQJAUKIJBOIDDG-KBPBESRZSA-N 1 0 308.426 2.227 10 0 DEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](C)N1CCOCC1 ZINC000123491547 402130688 /nfs/dbraw/zinc/13/06/88/402130688.db2.gz DEBUBZZHGKKAFG-KBXCAEBGSA-N 1 0 304.434 2.383 10 0 DEAERO Cc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1Cl ZINC000123526234 402132527 /nfs/dbraw/zinc/13/25/27/402132527.db2.gz HKHYCLDSDDJWOS-ZDUSSCGKSA-N 1 0 310.825 2.225 10 0 DEAERO CC[N@H+](CC(=O)N(C)Cc1nc2c(s1)CCCC2)C1CC1 ZINC000153293709 402137616 /nfs/dbraw/zinc/13/76/16/402137616.db2.gz NMPHRVPMPOCJJN-UHFFFAOYSA-N 1 0 307.463 2.465 10 0 DEAERO Cn1ccnc1C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000123649462 402139959 /nfs/dbraw/zinc/13/99/59/402139959.db2.gz ZZPYPXFVQISRMI-OAHLLOKOSA-N 1 0 312.417 2.313 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)NCC3(C)CCCC3)CC2)CCO1 ZINC000066704991 402140183 /nfs/dbraw/zinc/14/01/83/402140183.db2.gz VLEVAIPBKDOOQI-OAHLLOKOSA-N 1 0 323.481 2.461 10 0 DEAERO O=C(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)NCC1CCCCC1 ZINC000066874531 402145290 /nfs/dbraw/zinc/14/52/90/402145290.db2.gz ZDZXLRXLJNSQDH-MRXNPFEDSA-N 1 0 319.453 2.002 10 0 DEAERO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCCO1 ZINC000123799504 402146664 /nfs/dbraw/zinc/14/66/64/402146664.db2.gz RSUPNAWJGBXICW-ABFRBSLYSA-N 1 0 321.465 2.212 10 0 DEAERO CCOC[C@H](NC(=O)N[C@H](CC(C)C)C[NH+](C)C)C(C)C ZINC000190125210 286167235 /nfs/dbraw/zinc/16/72/35/286167235.db2.gz ZNXRTEODROWGAC-CABCVRRESA-N 1 0 301.475 2.323 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000123887918 402152288 /nfs/dbraw/zinc/15/22/88/402152288.db2.gz SSQZAGRWJSVBCU-CQSZACIVSA-N 1 0 314.389 2.499 10 0 DEAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2ccnn2C)C1 ZINC000123973979 402157095 /nfs/dbraw/zinc/15/70/95/402157095.db2.gz DSZVKBFRJJMBOW-OAHLLOKOSA-N 1 0 320.481 2.370 10 0 DEAERO COC[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000103388468 402186227 /nfs/dbraw/zinc/18/62/27/402186227.db2.gz MGEXUCOHGRRUEH-AWEZNQCLSA-N 1 0 322.474 2.499 10 0 DEAERO CC(C)[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000124919624 402203725 /nfs/dbraw/zinc/20/37/25/402203725.db2.gz LXXYRUWAOVDMMT-DGCLKSJQSA-N 1 0 322.232 2.340 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C2CC2)C1 ZINC000154169363 402196999 /nfs/dbraw/zinc/19/69/99/402196999.db2.gz FXTLHNAPFXKPBN-IRXDYDNUSA-N 1 0 301.434 2.353 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c[nH]c2ncccc12 ZINC000124831357 402199239 /nfs/dbraw/zinc/19/92/39/402199239.db2.gz FWNJPHVWLCHBNA-HUUCEWRRSA-N 1 0 312.417 2.191 10 0 DEAERO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@H](O)CN1CCCC1=O ZINC000124884028 402202125 /nfs/dbraw/zinc/20/21/25/402202125.db2.gz VRFJFOJDGKBIIH-MSOLQXFVSA-N 1 0 318.461 2.313 10 0 DEAERO CC[N@H+](CCNC(=O)N(C)CCc1ccc(F)cc1)C1CC1 ZINC000102064704 402162488 /nfs/dbraw/zinc/16/24/88/402162488.db2.gz AFRUWTUTHWZUJX-UHFFFAOYSA-N 1 0 307.413 2.494 10 0 DEAERO COc1cccc(OCC[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000153740951 402167802 /nfs/dbraw/zinc/16/78/02/402167802.db2.gz OHCNREBLERCWBZ-HNNXBMFYSA-N 1 0 316.405 2.078 10 0 DEAERO CC1CC[NH+](CCN2CCC(N(C)c3cccnn3)CC2)CC1 ZINC000153794054 402171102 /nfs/dbraw/zinc/17/11/02/402171102.db2.gz JWVOPLKCEHYAGS-UHFFFAOYSA-N 1 0 317.481 2.109 10 0 DEAERO CC(C)[C@H](O)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000124894353 402202840 /nfs/dbraw/zinc/20/28/40/402202840.db2.gz QRIFXFLVTJWGOH-ZWNOBZJWSA-N 1 0 322.232 2.340 10 0 DEAERO COc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc(Cl)c1O ZINC000153821923 402172262 /nfs/dbraw/zinc/17/22/62/402172262.db2.gz OBQDHBJHGKSCSL-ZYHUDNBSSA-N 1 0 324.808 2.363 10 0 DEAERO CN1CCC([NH+]2CCC(NC(=O)N3CCCC3(C)C)CC2)CC1 ZINC000102959722 402175568 /nfs/dbraw/zinc/17/55/68/402175568.db2.gz BGASUINBIDMMSL-UHFFFAOYSA-N 1 0 322.497 2.129 10 0 DEAERO CC1(c2ccccc2)CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000153871910 402176392 /nfs/dbraw/zinc/17/63/92/402176392.db2.gz IHZGEVLFWNXMLB-KRWDZBQOSA-N 1 0 316.445 2.023 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000103074734 402177797 /nfs/dbraw/zinc/17/77/97/402177797.db2.gz ZNFNWQMWTZUHGX-INIZCTEOSA-N 1 0 319.449 2.095 10 0 DEAERO COc1ccccc1C1CC([NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000069140602 402214308 /nfs/dbraw/zinc/21/43/08/402214308.db2.gz AMZAHVIFPFBUIP-MOKVOYLWSA-N 1 0 309.431 2.108 10 0 DEAERO CC1CC[NH+](CCN2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000154725685 402228305 /nfs/dbraw/zinc/22/83/05/402228305.db2.gz GNVZREURBCIIAG-SFHVURJKSA-N 1 0 304.434 2.497 10 0 DEAERO CC(C)CC[C@@](C)(O)CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000154759514 402230361 /nfs/dbraw/zinc/23/03/61/402230361.db2.gz NRRHKURHBRBINA-QGZVFWFLSA-N 1 0 313.486 2.347 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)CC1 ZINC000069627203 402235095 /nfs/dbraw/zinc/23/50/95/402235095.db2.gz QOMRARDHZYKXBE-UHFFFAOYSA-N 1 0 318.417 2.272 10 0 DEAERO CC(C)OCCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107825039 402241533 /nfs/dbraw/zinc/24/15/33/402241533.db2.gz IKKDUWYRZZBWKC-INIZCTEOSA-N 1 0 311.470 2.461 10 0 DEAERO COc1ccc([C@H]2C[C@H](C)[N@H+](CCN3CCCC3=O)C2)cc1 ZINC000155257671 402250086 /nfs/dbraw/zinc/25/00/86/402250086.db2.gz OZVKEUYTJIVQOW-HOCLYGCPSA-N 1 0 302.418 2.495 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000125834887 402252672 /nfs/dbraw/zinc/25/26/72/402252672.db2.gz UZXRJSDVEXOUNQ-HNNXBMFYSA-N 1 0 321.469 2.035 10 0 DEAERO CC(C)OCc1cccc(NC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000105283635 402207786 /nfs/dbraw/zinc/20/77/86/402207786.db2.gz CGOQZJQBGZMGDQ-MRXNPFEDSA-N 1 0 321.421 2.064 10 0 DEAERO CNC(=O)[C@H]([NH2+]Cc1cc(Br)cs1)C(C)C ZINC000125024561 402209375 /nfs/dbraw/zinc/20/93/75/402209375.db2.gz MWHDBNIUSFHIND-SNVBAGLBSA-N 1 0 305.241 2.371 10 0 DEAERO CN(Cc1nccs1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125079803 402211883 /nfs/dbraw/zinc/21/18/83/402211883.db2.gz JJCQADUCCQTDED-UHFFFAOYSA-N 1 0 310.467 2.405 10 0 DEAERO Cc1noc(C)c1CCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000155850637 402268210 /nfs/dbraw/zinc/26/82/10/402268210.db2.gz RHIGDVBBISVGNW-OAHLLOKOSA-N 1 0 322.453 2.254 10 0 DEAERO O[C@@H](C[NH2+]C[C@@H](O)C1CC1)COc1c(Cl)cccc1Cl ZINC000071305629 402272207 /nfs/dbraw/zinc/27/22/07/402272207.db2.gz NIYPACHXVCGBMJ-GXFFZTMASA-N 1 0 320.216 2.094 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc2[nH]ccc21 ZINC000110091943 402281102 /nfs/dbraw/zinc/28/11/02/402281102.db2.gz AKAUREBEEQJXEF-ZDUSSCGKSA-N 1 0 316.405 2.400 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)CN1CCOCC1 ZINC000156744039 402287578 /nfs/dbraw/zinc/28/75/78/402287578.db2.gz YHGUMSBUDQAYQY-KGLIPLIRSA-N 1 0 308.470 2.318 10 0 DEAERO CC1(C)CC[C@H](C[NH+]2CCC(c3ccnn3CCO)CC2)O1 ZINC000184669657 402290475 /nfs/dbraw/zinc/29/04/75/402290475.db2.gz RSZXFFPNEIBHJE-OAHLLOKOSA-N 1 0 307.438 2.012 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000176266989 402295633 /nfs/dbraw/zinc/29/56/33/402295633.db2.gz CDOABUVCHHXKOE-AWEZNQCLSA-N 1 0 314.433 2.404 10 0 DEAERO CC(C)C[C@@H](CCO)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000176304508 402298483 /nfs/dbraw/zinc/29/84/83/402298483.db2.gz JNHFPYQEMDOSCD-QZTJIDSGSA-N 1 0 320.477 2.320 10 0 DEAERO CNC(=O)[C@H](C)C[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000176356482 402302484 /nfs/dbraw/zinc/30/24/84/402302484.db2.gz RVJMSXCDYXDMDN-LLVKDONJSA-N 1 0 305.353 2.295 10 0 DEAERO C[C@H](CC[NH2+]Cc1ccc(C(N)=O)cc1)NC(=O)OC(C)(C)C ZINC000222082526 402305838 /nfs/dbraw/zinc/30/58/38/402305838.db2.gz BLMOHIGXUSUDEA-GFCCVEGCSA-N 1 0 321.421 2.178 10 0 DEAERO CCc1ccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1F ZINC000158558587 402308164 /nfs/dbraw/zinc/30/81/64/402308164.db2.gz MPHHFUHXWJDTLA-UHFFFAOYSA-N 1 0 323.412 2.309 10 0 DEAERO C[C@@H](CCn1cccn1)[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000158845171 402313349 /nfs/dbraw/zinc/31/33/49/402313349.db2.gz KIBGTIHIMPESIE-DOTOQJQBSA-N 1 0 312.417 2.447 10 0 DEAERO CC(C)[C@](C)(O)C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000184967474 402313767 /nfs/dbraw/zinc/31/37/67/402313767.db2.gz FCRVQKIFRHRLHI-MRXNPFEDSA-N 1 0 310.463 2.303 10 0 DEAERO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000225476367 402318379 /nfs/dbraw/zinc/31/83/79/402318379.db2.gz WQSDNYCTBICZTB-LJQANCHMSA-N 1 0 310.397 2.166 10 0 DEAERO Cc1cc(C)c(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000176547333 402318598 /nfs/dbraw/zinc/31/85/98/402318598.db2.gz KZBAQODTCOGNPT-INIZCTEOSA-N 1 0 319.449 2.139 10 0 DEAERO COc1cccc(N2CC[C@@H](C[NH2+]CC3=CCCOC3)C2)c1 ZINC000176833108 402341601 /nfs/dbraw/zinc/34/16/01/402341601.db2.gz PSSCOVZNWOTTPJ-HNNXBMFYSA-N 1 0 302.418 2.458 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000185301216 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CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1COc2ccccc2C1 ZINC000176988811 402357504 /nfs/dbraw/zinc/35/75/04/402357504.db2.gz JSXAXTLWSOEVLA-CVEARBPZSA-N 1 0 302.418 2.180 10 0 DEAERO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)CCN1C ZINC000177127167 402372368 /nfs/dbraw/zinc/37/23/68/402372368.db2.gz PDRBTXNRRAJLAP-GXTWGEPZSA-N 1 0 322.428 2.151 10 0 DEAERO C[C@]1(CNC(=O)N[C@H]2CCOC2)CCC[N@@H+]1Cc1ccccc1 ZINC000344996473 404491191 /nfs/dbraw/zinc/49/11/91/404491191.db2.gz CIEZBZLJQBEWNR-FUHWJXTLSA-N 1 0 317.433 2.129 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)[NH+](C)C ZINC000185848205 402382300 /nfs/dbraw/zinc/38/23/00/402382300.db2.gz YJEPCRQVPLJXFA-CQSZACIVSA-N 1 0 304.394 2.333 10 0 DEAERO COc1csc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000176796264 402338314 /nfs/dbraw/zinc/33/83/14/402338314.db2.gz PPLGZRXOOIRAML-GFCCVEGCSA-N 1 0 324.446 2.082 10 0 DEAERO CO[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000237197854 402398682 /nfs/dbraw/zinc/39/86/82/402398682.db2.gz UQTURJLGWQWHSH-LSDHHAIUSA-N 1 0 306.381 2.019 10 0 DEAERO Cc1ccc(C)c(OCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000237208757 402399496 /nfs/dbraw/zinc/39/94/96/402399496.db2.gz HDFGBLUCAHHPFT-XYPWUTKMSA-N 1 0 302.418 2.424 10 0 DEAERO C[NH2+]C[C@H](C)C(=O)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000237294924 402402830 /nfs/dbraw/zinc/40/28/30/402402830.db2.gz LURWWXFNKQDRII-AWEZNQCLSA-N 1 0 304.434 2.332 10 0 DEAERO CCC[C@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000186139557 402404951 /nfs/dbraw/zinc/40/49/51/402404951.db2.gz RBIXTBLTCQFEEY-HOTGVXAUSA-N 1 0 311.470 2.461 10 0 DEAERO C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000237434155 402408441 /nfs/dbraw/zinc/40/84/41/402408441.db2.gz IAYQATGLJLFUJW-WFASDCNBSA-N 1 0 312.369 2.163 10 0 DEAERO CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC000162084967 402409324 /nfs/dbraw/zinc/40/93/24/402409324.db2.gz PXGXEFUUFVOJDQ-CQSZACIVSA-N 1 0 312.454 2.347 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]Cc2cccc3c2OCO3)C12CCOCC2 ZINC000186265494 402416075 /nfs/dbraw/zinc/41/60/75/402416075.db2.gz AZCDTJFPOBMSOD-HOTGVXAUSA-N 1 0 319.401 2.479 10 0 DEAERO CCC[C@H](C(=O)N1CCC(c2cnn(CC)c2)CC1)[NH+](C)C ZINC000162439576 402420139 /nfs/dbraw/zinc/42/01/39/402420139.db2.gz VAKNPFDFLOJVMP-MRXNPFEDSA-N 1 0 306.454 2.339 10 0 DEAERO C[C@H](C(=O)NC[C@@H]1CN(C)CCO1)c1ccc2ccccc2c1 ZINC000177628980 402421461 /nfs/dbraw/zinc/42/14/61/402421461.db2.gz WTWNRWYWQXMPGE-KBXCAEBGSA-N 1 0 312.413 2.390 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccccc2)C12CCOCC2 ZINC000186338364 402422621 /nfs/dbraw/zinc/42/26/21/402422621.db2.gz HZSOWZLHLJJIPB-KSZLIROESA-N 1 0 319.445 2.458 10 0 DEAERO [NH3+]C1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 ZINC000237853664 402423432 /nfs/dbraw/zinc/42/34/32/402423432.db2.gz COLGOMHMMGECDU-UHFFFAOYSA-N 1 0 304.781 2.089 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccsc2)C12CCOCC2 ZINC000186350930 402424030 /nfs/dbraw/zinc/42/40/30/402424030.db2.gz USPWIBYCXCYPIG-RRFJBIMHSA-N 1 0 311.447 2.345 10 0 DEAERO O=C(Nc1cccc2ccccc21)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177684434 402426763 /nfs/dbraw/zinc/42/67/63/402426763.db2.gz CTBOAYHHQUKKDX-OAHLLOKOSA-N 1 0 323.396 2.085 10 0 DEAERO [NH3+][C@H]1CC[C@H](C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000237940244 402426885 /nfs/dbraw/zinc/42/68/85/402426885.db2.gz PRMOCYDWPQSJOD-WPRPVWTQSA-N 1 0 318.204 2.011 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000186418327 402429609 /nfs/dbraw/zinc/42/96/09/402429609.db2.gz HKUDYTDLSWKGGU-UHFFFAOYSA-N 1 0 321.384 2.263 10 0 DEAERO CC(=O)Nc1ccc(CNC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000186419441 402429851 /nfs/dbraw/zinc/42/98/51/402429851.db2.gz OFRJVCLGQBYUMP-UHFFFAOYSA-N 1 0 312.373 2.036 10 0 DEAERO CCN(C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1)C(C)C ZINC000162758770 402430995 /nfs/dbraw/zinc/43/09/95/402430995.db2.gz HWNJPNKMKFWBKR-UHFFFAOYSA-N 1 0 321.469 2.130 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000238041317 402433946 /nfs/dbraw/zinc/43/39/46/402433946.db2.gz FETUMKVSKGLOKZ-UKRRQHHQSA-N 1 0 312.479 2.032 10 0 DEAERO O=C(C[C@H]1OCCc2ccccc21)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186513220 402437956 /nfs/dbraw/zinc/43/79/56/402437956.db2.gz OVPOFAFAKNAZNQ-CRAIPNDOSA-N 1 0 314.429 2.434 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]2C(C)(C)O)CC1 ZINC000186571472 402442826 /nfs/dbraw/zinc/44/28/26/402442826.db2.gz FHYXYJLFUWZTED-NRXISQOPSA-N 1 0 311.470 2.052 10 0 DEAERO C[C@@H]1CCC[C@H]1CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000185942081 402391243 /nfs/dbraw/zinc/39/12/43/402391243.db2.gz YQHPTAUXGJXHFM-SQNIBIBYSA-N 1 0 321.509 2.441 10 0 DEAERO CCC[C@@H](C(=O)Nc1cc(C(=O)NCC)ccc1C)[NH+](C)C ZINC000161608566 402393378 /nfs/dbraw/zinc/39/33/78/402393378.db2.gz IHBUOHOYXLWSFE-HNNXBMFYSA-N 1 0 305.422 2.414 10 0 DEAERO COCCOc1ccc(C[NH2+][C@@H](COC)C2CCOCC2)cc1 ZINC000187765509 402510656 /nfs/dbraw/zinc/51/06/56/402510656.db2.gz SGCULMKNAQJEPG-SFHVURJKSA-N 1 0 323.433 2.243 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)s1 ZINC000246112543 402511261 /nfs/dbraw/zinc/51/12/61/402511261.db2.gz IIWGVIGDJKUTKZ-GWCFXTLKSA-N 1 0 316.492 2.468 10 0 DEAERO O=C(c1c[nH]nc1-c1ccsc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186683039 402455245 /nfs/dbraw/zinc/45/52/45/402455245.db2.gz ITAQSYWQJVWAHD-GFCCVEGCSA-N 1 0 302.403 2.058 10 0 DEAERO CC(C)n1cc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cn1 ZINC000178056846 402456139 /nfs/dbraw/zinc/45/61/39/402456139.db2.gz BJQVFBKVNZMPPH-ZDUSSCGKSA-N 1 0 311.393 2.291 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000245414727 402457736 /nfs/dbraw/zinc/45/77/36/402457736.db2.gz DTFRMBFGODYURU-GPJUQDOMSA-N 1 0 324.421 2.295 10 0 DEAERO C[C@@H](c1ccccc1)[C@](C)(O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245428249 402459950 /nfs/dbraw/zinc/45/99/50/402459950.db2.gz WYKKYLTWMLBLQB-GFIVTLFCSA-N 1 0 318.461 2.482 10 0 DEAERO CCN1CC[NH+](CCCCNC(=O)NCCC2=CCCC2)CC1 ZINC000164181336 402460208 /nfs/dbraw/zinc/46/02/08/402460208.db2.gz KXDHSDXOHNHSLP-UHFFFAOYSA-N 1 0 322.497 2.204 10 0 DEAERO COc1cccc([C@H]2C[C@@H]2C(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000186724999 402460483 /nfs/dbraw/zinc/46/04/83/402460483.db2.gz DOOGIKLTQZKMJB-SJORKVTESA-N 1 0 302.418 2.351 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)N(C)CC[N@H+](C)C2CC2)s1 ZINC000186732408 402460786 /nfs/dbraw/zinc/46/07/86/402460786.db2.gz NKBZQTFUUYKUAM-NSHDSACASA-N 1 0 311.451 2.325 10 0 DEAERO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)CC1(CO)CC1 ZINC000186761325 402462591 /nfs/dbraw/zinc/46/25/91/402462591.db2.gz PKPUCRYMKBWHCY-CYBMUJFWSA-N 1 0 309.410 2.185 10 0 DEAERO C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+](C)CC1(CO)CC1 ZINC000186761880 402462948 /nfs/dbraw/zinc/46/29/48/402462948.db2.gz GWWGOWIIRLFHFQ-CABCVRRESA-N 1 0 316.445 2.447 10 0 DEAERO C[N@H+](C[C@H](O)COc1ccc2ccccc2c1)CC1(CO)CC1 ZINC000186805147 402465436 /nfs/dbraw/zinc/46/54/36/402465436.db2.gz AIZDULVIINKDOJ-KRWDZBQOSA-N 1 0 315.413 2.284 10 0 DEAERO CCN(CC)c1ccc(C[NH2+][C@H](COC)C2CCOCC2)cn1 ZINC000187804412 402512388 /nfs/dbraw/zinc/51/23/88/402512388.db2.gz LCWIRDBCCVZAOG-QGZVFWFLSA-N 1 0 321.465 2.459 10 0 DEAERO C[N@@H+]1CC[C@H]2CCN(C(=O)CCC(=O)c3ccc(F)cc3)[C@H]2C1 ZINC000245518608 402467749 /nfs/dbraw/zinc/46/77/49/402467749.db2.gz HVCZAIHKOVUWKS-BBRMVZONSA-N 1 0 318.392 2.341 10 0 DEAERO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2C(F)(F)F)C[NH2+]1 ZINC000164748824 402468666 /nfs/dbraw/zinc/46/86/66/402468666.db2.gz VPYQKNRKOLCUEJ-VHSXEESVSA-N 1 0 322.352 2.124 10 0 DEAERO COc1cccc([C@H](C)[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)c1 ZINC000164897833 402470290 /nfs/dbraw/zinc/47/02/90/402470290.db2.gz HMSSADFNGIQTHI-YOEHRIQHSA-N 1 0 320.433 2.229 10 0 DEAERO CCc1ccc([C@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)o1 ZINC000165008173 402471772 /nfs/dbraw/zinc/47/17/72/402471772.db2.gz FIFLPXNNJATQNO-XJKSGUPXSA-N 1 0 308.422 2.376 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CCNC(=O)C(C)C)cc1NC(C)=O ZINC000178225481 402473668 /nfs/dbraw/zinc/47/36/68/402473668.db2.gz ZEPFKMRGISTLPO-LBPRGKRZSA-N 1 0 321.421 2.076 10 0 DEAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000246141631 402512834 /nfs/dbraw/zinc/51/28/34/402512834.db2.gz BWSKQPHRSSYMMD-RCCFBDPRSA-N 1 0 305.418 2.208 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccnc2)[C@H]1c1ccccc1 ZINC000245660330 402477135 /nfs/dbraw/zinc/47/71/35/402477135.db2.gz PNGDXVXJMDTSOP-IAGOWNOFSA-N 1 0 310.401 2.326 10 0 DEAERO CCC(CC)NC(=O)[C@@H](C)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245691520 402479690 /nfs/dbraw/zinc/47/96/90/402479690.db2.gz AJMVKGMSUWGYFG-OCCSQVGLSA-N 1 0 319.440 2.341 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCC(C)(C)O2)CC1 ZINC000187092365 402482398 /nfs/dbraw/zinc/48/23/98/402482398.db2.gz BVJHGQDGVACDIL-OAHLLOKOSA-N 1 0 311.470 2.365 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2cnc(C(C)(C)C)s2)C[C@H]1C ZINC000245717075 402482744 /nfs/dbraw/zinc/48/27/44/402482744.db2.gz HCQIVKLWNFVZIZ-OLZOCXBDSA-N 1 0 311.495 2.328 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cncc(F)c1 ZINC000166603666 402485982 /nfs/dbraw/zinc/48/59/82/402485982.db2.gz AWDGWYHIDIYZFH-WFASDCNBSA-N 1 0 303.385 2.274 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)[C@H](C)CO ZINC000167108738 402489460 /nfs/dbraw/zinc/48/94/60/402489460.db2.gz OTJZPENWZGJSEY-MXWKQRLJSA-N 1 0 322.232 2.340 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CCc1ccncc1 ZINC000170682705 402513498 /nfs/dbraw/zinc/51/34/98/402513498.db2.gz PJAGQBZDQWPCNA-INIZCTEOSA-N 1 0 306.454 2.242 10 0 DEAERO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000178380759 402491931 /nfs/dbraw/zinc/49/19/31/402491931.db2.gz DMZBSGQCKHOCJB-SJKOYZFVSA-N 1 0 324.421 2.092 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(C)o1 ZINC000245865469 402492594 /nfs/dbraw/zinc/49/25/94/402492594.db2.gz INDZBGWZQCXTJX-UONOGXRCSA-N 1 0 312.435 2.001 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000262029191 292233201 /nfs/dbraw/zinc/23/32/01/292233201.db2.gz OFXPVGAYYXOCJK-ULQDDVLXSA-N 1 0 302.418 2.331 10 0 DEAERO O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000178431844 402497490 /nfs/dbraw/zinc/49/74/90/402497490.db2.gz MJUXOHFHUHSNFI-NVXWUHKLSA-N 1 0 321.465 2.071 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C(=O)OC)cs2)C1 ZINC000178436360 402498119 /nfs/dbraw/zinc/49/81/19/402498119.db2.gz MVAIWJDBLXQOHB-NSHDSACASA-N 1 0 311.407 2.141 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2CCOC)C12CCCC2 ZINC000245941828 402499754 /nfs/dbraw/zinc/49/97/54/402499754.db2.gz UZOYKQDEXIICLT-IXDOHACOSA-N 1 0 310.482 2.425 10 0 DEAERO COc1cccc([C@@H]2C[C@H]2C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c1 ZINC000245951309 402500341 /nfs/dbraw/zinc/50/03/41/402500341.db2.gz VOVLDYASRFTFJT-UWWPHRKUSA-N 1 0 302.418 2.350 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCc2ccccc2F)C1 ZINC000245959296 402500921 /nfs/dbraw/zinc/50/09/21/402500921.db2.gz MJTQUAQIUWMDIZ-DOTOQJQBSA-N 1 0 319.424 2.494 10 0 DEAERO C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1ccc(Br)cc1 ZINC000178462176 402501354 /nfs/dbraw/zinc/50/13/54/402501354.db2.gz IHWCHHVHEBZHIZ-ZANVPECISA-N 1 0 315.186 2.328 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2)cc1NC(C)=O ZINC000178513586 402506171 /nfs/dbraw/zinc/50/61/71/402506171.db2.gz KNZGCZUTGGOTTH-LLVKDONJSA-N 1 0 302.378 2.238 10 0 DEAERO C[C@H]1CN(Cc2csc(-c3ccsc3)n2)CC[N@@H+]1CCO ZINC000187669661 402507777 /nfs/dbraw/zinc/50/77/77/402507777.db2.gz XFCNDGLMNCPKID-LBPRGKRZSA-N 1 0 323.487 2.370 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(CC(C)(C)O)C1CC1 ZINC000187690785 402508730 /nfs/dbraw/zinc/50/87/30/402508730.db2.gz GKOUYJYWGJJINS-OAHLLOKOSA-N 1 0 311.470 2.052 10 0 DEAERO COC[C@H](C)C[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000187717082 402509522 /nfs/dbraw/zinc/50/95/22/402509522.db2.gz YKXSLYHCEBAZSL-HZPDHXFCSA-N 1 0 306.450 2.279 10 0 DEAERO COc1ccc(CC[C@H](C)[NH2+]Cc2cc(C(N)=O)co2)cc1 ZINC000187715986 402509525 /nfs/dbraw/zinc/50/95/25/402509525.db2.gz FAUHYZOANPBAHV-LBPRGKRZSA-N 1 0 302.374 2.498 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3snnc3C(C)(C)C)CC[C@H]21 ZINC000189516433 402542113 /nfs/dbraw/zinc/54/21/13/402542113.db2.gz JKMKIERKVFCZPJ-VXGBXAGGSA-N 1 0 322.478 2.392 10 0 DEAERO O=C(Nc1nncs1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178806322 402542405 /nfs/dbraw/zinc/54/24/05/402542405.db2.gz RRTFDKNTWTZNDF-CMPLNLGQSA-N 1 0 307.423 2.019 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC=CCC2)C[C@H]1CC ZINC000246799477 402545098 /nfs/dbraw/zinc/54/50/98/402545098.db2.gz QTTKKZNTJVWOEO-HZPDHXFCSA-N 1 0 309.454 2.237 10 0 DEAERO CC(C)[NH2+]C1CCN(CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000170987163 402547232 /nfs/dbraw/zinc/54/72/32/402547232.db2.gz HLYUOMTXSVAAOP-UHFFFAOYSA-N 1 0 311.376 2.366 10 0 DEAERO CC(C)CO[C@@H]1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000246961972 402550579 /nfs/dbraw/zinc/55/05/79/402550579.db2.gz CHXBIRVKUROCRI-ARFHVFGLSA-N 1 0 311.470 2.172 10 0 DEAERO CN1CCCc2cc(NC(=O)N3CC[C@H]([NH+](C)C)C3)ccc21 ZINC000171082148 402556006 /nfs/dbraw/zinc/55/60/06/402556006.db2.gz FTBJZHMWIYNRAD-HNNXBMFYSA-N 1 0 302.422 2.237 10 0 DEAERO COCC[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000247110830 402557079 /nfs/dbraw/zinc/55/70/79/402557079.db2.gz QMSILDGYPXXPPY-KFWWJZLASA-N 1 0 307.438 2.210 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)CCOc2ccccc2)C1 ZINC000247378770 402565527 /nfs/dbraw/zinc/56/55/27/402565527.db2.gz PQTUYMRTJXHCFX-DOTOQJQBSA-N 1 0 319.449 2.436 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H]2COc3ccccc32)C1 ZINC000247394990 402566301 /nfs/dbraw/zinc/56/63/01/402566301.db2.gz QRCYTCRSVMTBMB-BPLDGKMQSA-N 1 0 303.406 2.148 10 0 DEAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1OC)C(N)=O ZINC000189976748 402568350 /nfs/dbraw/zinc/56/83/50/402568350.db2.gz XDLGQMPIZVDASI-GZMMTYOYSA-N 1 0 315.211 2.372 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000247495971 402569564 /nfs/dbraw/zinc/56/95/64/402569564.db2.gz UPUXWLMUQUUEKL-XDNAFOTISA-N 1 0 319.493 2.336 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000179065260 402570049 /nfs/dbraw/zinc/57/00/49/402570049.db2.gz KEDOGCWISNZZHU-SKDRFNHKSA-N 1 0 302.296 2.167 10 0 DEAERO COc1cc(C)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1OC ZINC000246182641 402516365 /nfs/dbraw/zinc/51/63/65/402516365.db2.gz NEONEPKTUQWSSO-KGLIPLIRSA-N 1 0 318.417 2.321 10 0 DEAERO CCC[C@H](C(=O)N(C)CC(=O)Nc1c(C)cccc1C)[NH+](C)C ZINC000178645218 402521271 /nfs/dbraw/zinc/52/12/71/402521271.db2.gz LTDXVHJJIZBAJB-OAHLLOKOSA-N 1 0 319.449 2.431 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(O)c(F)c2)[C@@H](C)C1 ZINC000246305091 402523961 /nfs/dbraw/zinc/52/39/61/402523961.db2.gz ATIOBQUTIDCWIC-WFASDCNBSA-N 1 0 323.412 2.403 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn3ccnc3s2)[C@H](C)C1 ZINC000188705842 402523988 /nfs/dbraw/zinc/52/39/88/402523988.db2.gz MGCNDIVTFRXTPP-NEPJUHHUSA-N 1 0 306.435 2.198 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)c2ccccc21 ZINC000188975402 402529551 /nfs/dbraw/zinc/52/95/51/402529551.db2.gz ACZZTWJZYQZARC-IAQYHMDHSA-N 1 0 310.401 2.424 10 0 DEAERO Cc1ccc(SCCNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170826696 402529688 /nfs/dbraw/zinc/52/96/88/402529688.db2.gz MVHSMTCQAYUHBT-AWEZNQCLSA-N 1 0 307.463 2.433 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000170827968 402529836 /nfs/dbraw/zinc/52/98/36/402529836.db2.gz FOIDJCONTGAUDG-SDDRHHMPSA-N 1 0 307.360 2.453 10 0 DEAERO Cc1cc(C)n(Cc2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2)n1 ZINC000178724399 402530779 /nfs/dbraw/zinc/53/07/79/402530779.db2.gz TXEYMZSIPYHNDQ-QGZVFWFLSA-N 1 0 312.417 2.030 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)c1snnc1C(C)(C)C ZINC000189064333 402531102 /nfs/dbraw/zinc/53/11/02/402531102.db2.gz SULGWSIEGPMEMT-LLVKDONJSA-N 1 0 310.467 2.440 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)C1 ZINC000170836505 402531441 /nfs/dbraw/zinc/53/14/41/402531441.db2.gz DNVDNHDWFPVRNK-IKGGRYGDSA-N 1 0 317.433 2.252 10 0 DEAERO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCCC2(C)C)c1 ZINC000170848132 402532862 /nfs/dbraw/zinc/53/28/62/402532862.db2.gz YKFQNKFRLPEZJG-UHFFFAOYSA-N 1 0 303.406 2.088 10 0 DEAERO CO[C@H]1CN(Cc2nnc(-c3ccccc3)n2C)CC[C@H]1C ZINC000189274817 402533523 /nfs/dbraw/zinc/53/35/23/402533523.db2.gz ITVBWSPTZTWPGS-HIFRSBDPSA-N 1 0 300.406 2.339 10 0 DEAERO Cc1cc(C(=O)CCC(=O)N2CC[C@H]([NH+](C)C)C2)c(C)s1 ZINC000170860650 402533582 /nfs/dbraw/zinc/53/35/82/402533582.db2.gz KBVBNCXZKACTAJ-ZDUSSCGKSA-N 1 0 308.447 2.490 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000246494256 402533646 /nfs/dbraw/zinc/53/36/46/402533646.db2.gz IOONHVGEYUVELJ-VQHPVUNQSA-N 1 0 323.481 2.460 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)c1ccc2nccn2c1)c1ccccc1 ZINC000170861656 402534089 /nfs/dbraw/zinc/53/40/89/402534089.db2.gz DNMQEZGXKOARKT-MRXNPFEDSA-N 1 0 308.385 2.367 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@@H](O)COc2cc(C)cc(C)c2)CC[C@@H]1C ZINC000189314085 402534156 /nfs/dbraw/zinc/53/41/56/402534156.db2.gz HMEGIMIENHEYHW-LZLYRXPVSA-N 1 0 307.434 2.400 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000170865956 402535028 /nfs/dbraw/zinc/53/50/28/402535028.db2.gz DYHRTKUVRQHEEA-GFCCVEGCSA-N 1 0 315.186 2.364 10 0 DEAERO O=C(CCc1ccccc1O)N1CC[NH+](C2CCCC2)CC1 ZINC000247956774 402578855 /nfs/dbraw/zinc/57/88/55/402578855.db2.gz NSZCWZJTQVKAIE-UHFFFAOYSA-N 1 0 302.418 2.412 10 0 DEAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCCSc1ccccc1Cl ZINC000179180617 402578962 /nfs/dbraw/zinc/57/89/62/402578962.db2.gz CHCSVLDOXPOPIZ-NEPJUHHUSA-N 1 0 301.839 2.250 10 0 DEAERO CC(C)[C@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248087861 402582030 /nfs/dbraw/zinc/58/20/30/402582030.db2.gz SYCWEBSCRHZHSK-SOLBZPMBSA-N 1 0 319.449 2.138 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)C1 ZINC000171522981 402591043 /nfs/dbraw/zinc/59/10/43/402591043.db2.gz KQMTYIQYQNDWOP-AWEZNQCLSA-N 1 0 316.405 2.129 10 0 DEAERO CCC[C@](C)(CO)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179477335 402591314 /nfs/dbraw/zinc/59/13/14/402591314.db2.gz PWCVGEKHXHEHHK-LZLYRXPVSA-N 1 0 319.449 2.282 10 0 DEAERO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000248491035 402593216 /nfs/dbraw/zinc/59/32/16/402593216.db2.gz NTFODRWELKQTHD-OFQRWUPVSA-N 1 0 321.417 2.440 10 0 DEAERO COc1ccc(/C=C/C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1O ZINC000248508071 402593843 /nfs/dbraw/zinc/59/38/43/402593843.db2.gz ZJHHRPHVRNIRFM-MTENODCZSA-N 1 0 318.417 2.259 10 0 DEAERO CCCN(Cc1cnc2cc(C)ccn12)[C@@H]1CCS(=O)(=O)C1 ZINC000179640889 402596541 /nfs/dbraw/zinc/59/65/41/402596541.db2.gz GLYKQPNCLGJZRH-CQSZACIVSA-N 1 0 321.446 2.042 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000248574842 402596704 /nfs/dbraw/zinc/59/67/04/402596704.db2.gz NCQLKZPLPSRXIM-OAGGEKHMSA-N 1 0 311.470 2.223 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccc(F)c(F)c1 ZINC000190380143 402596954 /nfs/dbraw/zinc/59/69/54/402596954.db2.gz RLFHWRQSQOIJME-TZMCWYRMSA-N 1 0 323.387 2.385 10 0 DEAERO Cn1cc(C[N@@H+]2CCCN(Cc3cc(F)ccc3F)CC2)cn1 ZINC000171595893 402599287 /nfs/dbraw/zinc/59/92/87/402599287.db2.gz GLDXOFBGXVVDFD-UHFFFAOYSA-N 1 0 320.387 2.406 10 0 DEAERO Cc1nnc([C@H](C)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000248644838 402601085 /nfs/dbraw/zinc/60/10/85/402601085.db2.gz FRKJWCGKMQHDQG-BBRMVZONSA-N 1 0 315.421 2.288 10 0 DEAERO O=C(N[C@@H]1CCCOC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000171614139 402601488 /nfs/dbraw/zinc/60/14/88/402601488.db2.gz SNTUBFNMZCEWQI-MRXNPFEDSA-N 1 0 309.454 2.073 10 0 DEAERO CCCCOC[C@H](O)C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000248662926 402602433 /nfs/dbraw/zinc/60/24/33/402602433.db2.gz YTDBDURRLAFQJP-QVKFZJNVSA-N 1 0 313.463 2.033 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@](C)(CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000248665834 402602663 /nfs/dbraw/zinc/60/26/63/402602663.db2.gz MMSCLSXGTUQSRM-MAUKXSAKSA-N 1 0 323.481 2.414 10 0 DEAERO CN(CC[N@H+](C)C1CC1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000248674640 402602861 /nfs/dbraw/zinc/60/28/61/402602861.db2.gz CIMGSLWMOHIPAL-HNNXBMFYSA-N 1 0 323.387 2.096 10 0 DEAERO C[C@H]1CC(CC[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)C[C@H](C)C1 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CC[N@H+](CCO)CCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000183953769 402808219 /nfs/dbraw/zinc/80/82/19/402808219.db2.gz MCACRGIYCOBAPB-MRXNPFEDSA-N 1 0 320.477 2.419 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)OCc2cccc(OC)c2)C1 ZINC000194659246 402808464 /nfs/dbraw/zinc/80/84/64/402808464.db2.gz LHJOURDINSRPDE-ZBFHGGJFSA-N 1 0 320.433 2.201 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCCc2nc(C(C)(C)C)no2)C1 ZINC000194658782 402808873 /nfs/dbraw/zinc/80/88/73/402808873.db2.gz KXMDTLDEFNQGPQ-ZDUSSCGKSA-N 1 0 322.453 2.290 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000194691874 402810412 /nfs/dbraw/zinc/81/04/12/402810412.db2.gz MWSXEGYQVAPGRB-HNNXBMFYSA-N 1 0 318.808 2.350 10 0 DEAERO CCC[C@@H](C(=O)Nc1nc2c(cccc2OC)n1C)[NH+](C)C ZINC000184148623 402822689 /nfs/dbraw/zinc/82/26/89/402822689.db2.gz WYCNVEDTLIWHHT-LBPRGKRZSA-N 1 0 304.394 2.251 10 0 DEAERO CCC[NH+]1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000194970197 402824543 /nfs/dbraw/zinc/82/45/43/402824543.db2.gz 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C[C@H](C1CC1)N(C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1)C1CC1 ZINC000195507466 402848033 /nfs/dbraw/zinc/84/80/33/402848033.db2.gz HQUIMQOELVJQEP-CYBMUJFWSA-N 1 0 316.449 2.379 10 0 DEAERO CCCCn1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(C)n1 ZINC000184524970 402848924 /nfs/dbraw/zinc/84/89/24/402848924.db2.gz MPKLHNZKYIKBON-DZGCQCFKSA-N 1 0 304.438 2.300 10 0 DEAERO CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515995 402848980 /nfs/dbraw/zinc/84/89/80/402848980.db2.gz UYTOAOTZXXMFJZ-OAHLLOKOSA-N 1 0 318.465 2.368 10 0 DEAERO O=C(Nc1ccn(-c2ccccc2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000264735137 402892427 /nfs/dbraw/zinc/89/24/27/402892427.db2.gz OJORRAVUFAALPG-HNNXBMFYSA-N 1 0 311.389 2.184 10 0 DEAERO Cc1nn(C)c(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000266800331 402992296 /nfs/dbraw/zinc/99/22/96/402992296.db2.gz NKCCEGIZMVXXRR-AGUYFDCRSA-N 1 0 305.426 2.174 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000280285479 402983830 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C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000282276353 403138789 /nfs/dbraw/zinc/13/87/89/403138789.db2.gz HXHRCPURYSTKDR-PELKAZGASA-N 1 0 315.186 2.345 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cscc1C ZINC000276093157 403145401 /nfs/dbraw/zinc/14/54/01/403145401.db2.gz FJTVQRADAKPABD-STQMWFEESA-N 1 0 321.446 2.080 10 0 DEAERO CC(=O)CC[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000270932220 403241622 /nfs/dbraw/zinc/24/16/22/403241622.db2.gz HIPRUXDKSJGJLS-ZDUSSCGKSA-N 1 0 300.196 2.393 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C12CCCC2 ZINC000173515784 286354665 /nfs/dbraw/zinc/35/46/65/286354665.db2.gz WRDLWWKWPIGEDS-SOUVJXGZSA-N 1 0 309.454 2.070 10 0 DEAERO C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CCO[C@H]2C2CC2)([NH+](C)C)C1 ZINC000332754059 403612078 /nfs/dbraw/zinc/61/20/78/403612078.db2.gz JHLWYONQCXDFLY-VKZRIFJHSA-N 1 0 323.481 2.364 10 0 DEAERO COc1ccc([C@H](C)C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000180655073 286367062 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Cc1nc2ccc(NC(=O)N3CCC4(CC[NH2+]4)CC3)cc2o1 ZINC000333269242 403712117 /nfs/dbraw/zinc/71/21/17/403712117.db2.gz KEALGUMDPIXWBF-UHFFFAOYSA-N 1 0 300.362 2.496 10 0 DEAERO COc1cc(OC)c2ncnc(N(C)[C@H]3CCC[N@H+](C)C3)c2c1 ZINC000302739779 403719349 /nfs/dbraw/zinc/71/93/49/403719349.db2.gz QFNSSUDNVARSSY-LBPRGKRZSA-N 1 0 316.405 2.177 10 0 DEAERO Cc1cc(N2CCC([NH2+][C@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2)n[nH]1 ZINC000333328979 403726018 /nfs/dbraw/zinc/72/60/18/403726018.db2.gz QORBHANHGOVUHV-BPUTZDHNSA-N 1 0 304.438 2.090 10 0 DEAERO COc1cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ccn1 ZINC000333391043 403741161 /nfs/dbraw/zinc/74/11/61/403741161.db2.gz XMUVGCBIUXYLGN-AWEZNQCLSA-N 1 0 304.394 2.086 10 0 DEAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000343954006 403806058 /nfs/dbraw/zinc/80/60/58/403806058.db2.gz LLRIUEFPBLHVPK-WCQYABFASA-N 1 0 305.296 2.167 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000333637685 403800368 /nfs/dbraw/zinc/80/03/68/403800368.db2.gz HQKHJJTUIIUQJK-YUELXQCFSA-N 1 0 302.422 2.172 10 0 DEAERO CO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nnc(C(C)C)n3C2)C12CCC2 ZINC000333876598 403895118 /nfs/dbraw/zinc/89/51/18/403895118.db2.gz VNOMDKWFKSILCH-BFHYXJOUSA-N 1 0 304.438 2.264 10 0 DEAERO O=C(c1ccc2c(c1O)CCCC2)N1CCC2(CC[NH2+]2)CC1 ZINC000333760903 403849831 /nfs/dbraw/zinc/84/98/31/403849831.db2.gz ALCDLYMEKRJFGP-UHFFFAOYSA-N 1 0 300.402 2.239 10 0 DEAERO CC(C)c1nc([C@H]2CCCN2C(=O)N[C@H]2CCCC[NH2+]C2)no1 ZINC000333806690 403868128 /nfs/dbraw/zinc/86/81/28/403868128.db2.gz IPINSOBEZBSCGQ-QWHCGFSZSA-N 1 0 321.425 2.182 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305676077 403909436 /nfs/dbraw/zinc/90/94/36/403909436.db2.gz ZYHGCCHTMRFKSZ-RDJZCZTQSA-N 1 0 304.434 2.128 10 0 DEAERO CC(C)n1cc2c(n1)C[C@@H](NC(=O)CC1CC[NH+](C)CC1)CC2 ZINC000362928268 404008402 /nfs/dbraw/zinc/00/84/02/404008402.db2.gz QFZGBLXAUJFDRN-INIZCTEOSA-N 1 0 318.465 2.169 10 0 DEAERO CCNC(=O)[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000348062505 404026210 /nfs/dbraw/zinc/02/62/10/404026210.db2.gz KLNCWIJMSQVDAL-MIGBEJBISA-N 1 0 315.461 2.296 10 0 DEAERO c1ccc(OC2CC2)c(CN2CCN(c3cnccn3)CC2)c1 ZINC000290188044 404074758 /nfs/dbraw/zinc/07/47/58/404074758.db2.gz ZTEKXESKJMHLSS-UHFFFAOYSA-N 1 0 310.401 2.340 10 0 DEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C12CCC2 ZINC000329225377 404271461 /nfs/dbraw/zinc/27/14/61/404271461.db2.gz DAUGVGSVNZJHDJ-TXCZRRACSA-N 1 0 316.449 2.239 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000355420940 404332373 /nfs/dbraw/zinc/33/23/73/404332373.db2.gz LGHQINZDEHECMF-VSZNYVQBSA-N 1 0 308.466 2.430 10 0 DEAERO C[N@H+](C[C@@H]1CCC(C)(C)O1)C1CCN(c2ncccn2)CC1 ZINC000364314411 404345257 /nfs/dbraw/zinc/34/52/57/404345257.db2.gz OMQWTWWINAZHFN-HNNXBMFYSA-N 1 0 304.438 2.335 10 0 DEAERO OC[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccnc1 ZINC000329377963 404319292 /nfs/dbraw/zinc/31/92/92/404319292.db2.gz OVNHICVIBMRJKR-MWDXBVQZSA-N 1 0 302.418 2.095 10 0 DEAERO CC/C=C\CC[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000342186396 404428857 /nfs/dbraw/zinc/42/88/57/404428857.db2.gz INJBLHGWOKPQOF-JXCVUKRWSA-N 1 0 318.461 2.400 10 0 DEAERO Cc1noc([C@H]2CC[N@H+](Cc3c[nH]nc3-c3cccnc3)C2)n1 ZINC000344860715 404410796 /nfs/dbraw/zinc/41/07/96/404410796.db2.gz CYFMIFLPQQOCNL-ZDUSSCGKSA-N 1 0 310.361 2.153 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+]CC[C@@H]1CCCCO1 ZINC000291743976 404502642 /nfs/dbraw/zinc/50/26/42/404502642.db2.gz PHDXXKSKJAOJHC-KRWDZBQOSA-N 1 0 300.406 2.375 10 0 DEAERO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cn1 ZINC000330245918 404598956 /nfs/dbraw/zinc/59/89/56/404598956.db2.gz KXMMOYBZBFUSLY-XOSAIJSUSA-N 1 0 305.422 2.098 10 0 DEAERO Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)C1CC1 ZINC000373894670 404629800 /nfs/dbraw/zinc/62/98/00/404629800.db2.gz XYBNDQZLCLTYHD-OWCLPIDISA-N 1 0 316.449 2.252 10 0 DEAERO CN(c1ncnc2c1ncn2C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000330359972 404636634 /nfs/dbraw/zinc/63/66/34/404636634.db2.gz WOOUBNULZULOOP-PBWFPOADSA-N 1 0 312.421 2.223 10 0 DEAERO CC(C)[C@@](C)(CO)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000352893815 404684468 /nfs/dbraw/zinc/68/44/68/404684468.db2.gz PTFILJWDZDFQQP-SWLSCSKDSA-N 1 0 301.814 2.076 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CC2(CCOCC2)O1 ZINC000366154591 404764088 /nfs/dbraw/zinc/76/40/88/404764088.db2.gz CPVYMIXPFBAJDK-ZDUSSCGKSA-N 1 0 317.389 2.440 10 0 DEAERO COCCOC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125470 404958012 /nfs/dbraw/zinc/95/80/12/404958012.db2.gz FGXKJBUMFPQSDC-UHFFFAOYSA-N 1 0 305.378 2.297 10 0 DEAERO c1cc(-c2ccc(C[N@@H+]3CCCN(c4cccnn4)CC3)o2)n[nH]1 ZINC000378633978 405020167 /nfs/dbraw/zinc/02/01/67/405020167.db2.gz AYYPZQVLLHDIRM-UHFFFAOYSA-N 1 0 324.388 2.172 10 0 DEAERO CCOC[C@H](O)C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379651474 405027174 /nfs/dbraw/zinc/02/71/74/405027174.db2.gz UNVWWDYLQISPCG-ZWKOTPCHSA-N 1 0 306.450 2.028 10 0 DEAERO C[C@@H](CCNC[C@H](O)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000379647577 405028027 /nfs/dbraw/zinc/02/80/27/405028027.db2.gz KQYNTJJDIKIYNK-JSGCOSHPSA-N 1 0 304.356 2.410 10 0 DEAERO CC(C)n1ncnc1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381003177 405030838 /nfs/dbraw/zinc/03/08/38/405030838.db2.gz PNOMZAQQVSFYBQ-KRWDZBQOSA-N 1 0 313.449 2.471 10 0 DEAERO CC(C)c1noc2ncc(C(=O)N3CCC[N@H+](C)CC3)cc21 ZINC000408037975 405095114 /nfs/dbraw/zinc/09/51/14/405095114.db2.gz HLKVGPQNMHOMFU-UHFFFAOYSA-N 1 0 302.378 2.124 10 0 DEAERO c1oc(-c2ccccc2)nc1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000405004932 405071097 /nfs/dbraw/zinc/07/10/97/405071097.db2.gz NDAVGJMPQNWWJY-CQSZACIVSA-N 1 0 309.373 2.448 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000361456533 405082119 /nfs/dbraw/zinc/08/21/19/405082119.db2.gz IDPQZKAXCQELFX-NVXWUHKLSA-N 1 0 318.465 2.312 10 0 DEAERO Cc1cc(=O)[nH]c(C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000408025052 405091686 /nfs/dbraw/zinc/09/16/86/405091686.db2.gz NGKDOVIWRCUFNN-GXTWGEPZSA-N 1 0 300.362 2.015 10 0 DEAERO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000408022917 405092295 /nfs/dbraw/zinc/09/22/95/405092295.db2.gz OYMSZKZIRJLNCZ-VHSXEESVSA-N 1 0 306.797 2.381 10 0 DEAERO CC1CCC(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000408069957 405104614 /nfs/dbraw/zinc/10/46/14/405104614.db2.gz GSDPCFXSTDDLBJ-PFSRBDOWSA-N 1 0 302.484 2.263 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2cc(=O)[nH]c3ccc(F)cc32)CC1 ZINC000408198844 405136328 /nfs/dbraw/zinc/13/63/28/405136328.db2.gz VXWSGNLDECODSK-UHFFFAOYSA-N 1 0 317.364 2.246 10 0 DEAERO Cn1nnc2cc(C[N@@H+]3CC[C@@H](C(C)(C)C)[C@H](O)C3)ccc21 ZINC000408198540 405136507 /nfs/dbraw/zinc/13/65/07/405136507.db2.gz NHMZWAPSHPLXHM-CZUORRHYSA-N 1 0 302.422 2.197 10 0 DEAERO CC(=O)N[C@H](C)C1CC[NH+](CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000408339312 405177378 /nfs/dbraw/zinc/17/73/78/405177378.db2.gz PHRANOFWNMEDPD-QLFBSQMISA-N 1 0 323.481 2.013 10 0 DEAERO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)C[C@@H]21 ZINC000453036290 405277658 /nfs/dbraw/zinc/27/76/58/405277658.db2.gz NVZBGRJYHRCQSV-FTYZYXLQSA-N 1 0 306.356 2.231 10 0 DEAERO COC1([C@H](C)[NH2+]C[C@H](Cc2ccccc2)N(C)C)CCOCC1 ZINC000453050710 405279474 /nfs/dbraw/zinc/27/94/74/405279474.db2.gz ADIHHNNKNVJZIE-WMZOPIPTSA-N 1 0 320.477 2.333 10 0 DEAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)CCCc2cccnc2)C1 ZINC000453146776 405286745 /nfs/dbraw/zinc/28/67/45/405286745.db2.gz MSJKIFAJSKLFDK-HOCLYGCPSA-N 1 0 304.438 2.186 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)N[C@@H](C)C[NH+]2CCCCC2)no1 ZINC000442367375 405335842 /nfs/dbraw/zinc/33/58/42/405335842.db2.gz UAFVSLWDXLNGEU-LBPRGKRZSA-N 1 0 323.441 2.041 10 0 DEAERO C[NH+](C)C1(CNC(=O)N2CCN(c3ccccc3)CC2)CCC1 ZINC000445857375 405358776 /nfs/dbraw/zinc/35/87/76/405358776.db2.gz MIXZTQJMZCYGLY-UHFFFAOYSA-N 1 0 316.449 2.003 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc(I)cn2)C1 ZINC000420277195 405305916 /nfs/dbraw/zinc/30/59/16/405305916.db2.gz PZLCSUJOSJMHJO-PSASIEDQSA-N 1 0 317.174 2.226 10 0 DEAERO Cc1nn(C)cc1CC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000448690619 405437055 /nfs/dbraw/zinc/43/70/55/405437055.db2.gz NHCVJSWNLKIMOZ-KRWDZBQOSA-N 1 0 320.481 2.144 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(Cl)c(OC)c2)C1 ZINC000448764605 405446085 /nfs/dbraw/zinc/44/60/85/405446085.db2.gz TUTGWZYUGVVNLT-ZDUSSCGKSA-N 1 0 310.825 2.349 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2cnc(C(C)C)s2)CC12COC2 ZINC000449366783 405526898 /nfs/dbraw/zinc/52/68/98/405526898.db2.gz SQFZVDZOWDTEIB-ZDUSSCGKSA-N 1 0 324.446 2.278 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C)cc(C)c2)CC12COC2 ZINC000449365431 405527751 /nfs/dbraw/zinc/52/77/51/405527751.db2.gz PMTGDJRAKOLOAG-MRXNPFEDSA-N 1 0 303.402 2.315 10 0 DEAERO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000449475770 405577459 /nfs/dbraw/zinc/57/74/59/405577459.db2.gz UVGUHVSJYBZWJH-FGTMMUONSA-N 1 0 312.417 2.393 10 0 DEAERO c1ccc(C[C@@H](CN2CCOCC2)[NH2+]CCC[C@H]2CCO2)cc1 ZINC000638638620 405587553 /nfs/dbraw/zinc/58/75/53/405587553.db2.gz IORAZAOMIKSWHB-OALUTQOASA-N 1 0 318.461 2.089 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)c2cc(Br)ccc2O)C[NH2+]1 ZINC000638643551 405589846 /nfs/dbraw/zinc/58/98/46/405589846.db2.gz LSKTUPMPROTTCX-WPRPVWTQSA-N 1 0 313.195 2.025 10 0 DEAERO CC(=O)c1cccc(OCCCC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000638646358 405591437 /nfs/dbraw/zinc/59/14/37/405591437.db2.gz CDLWVEIWARTPMI-XJKSGUPXSA-N 1 0 318.417 2.305 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)c2c(F)cccc2Br)C[NH2+]1 ZINC000638650159 405594417 /nfs/dbraw/zinc/59/44/17/405594417.db2.gz AUXFPIJPAVRZEA-RKDXNWHRSA-N 1 0 315.186 2.459 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)Cc2ccccc2Br)C[NH2+]1 ZINC000638653658 405596658 /nfs/dbraw/zinc/59/66/58/405596658.db2.gz PYRXWKBZHTVOIP-PWSUYJOCSA-N 1 0 311.223 2.248 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)Cc2ccccc2Br)C[NH2+]1 ZINC000638653656 405597064 /nfs/dbraw/zinc/59/70/64/405597064.db2.gz PYRXWKBZHTVOIP-JQWIXIFHSA-N 1 0 311.223 2.248 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc(Br)ccc2F)C[C@@H]1C[NH3+] ZINC000638884649 405739641 /nfs/dbraw/zinc/73/96/41/405739641.db2.gz DIWBGWYYORDABH-BDAKNGLRSA-N 1 0 315.186 2.255 10 0 DEAERO Cc1cc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000638890615 405743243 /nfs/dbraw/zinc/74/32/43/405743243.db2.gz FFEGSJSQYOHBHX-JQWIXIFHSA-N 1 0 311.223 2.424 10 0 DEAERO C([NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)c1nnc2n1CCCC2 ZINC000530439935 405803215 /nfs/dbraw/zinc/80/32/15/405803215.db2.gz RSZFEGZXCXNGAN-SOUVJXGZSA-N 1 0 304.438 2.299 10 0 DEAERO Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000583614750 405774848 /nfs/dbraw/zinc/77/48/48/405774848.db2.gz ZNGTUGHHZFNPQL-GVDBMIGSSA-N 1 0 305.418 2.236 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1Br ZINC000639096112 405878764 /nfs/dbraw/zinc/87/87/64/405878764.db2.gz AOIYTGAAEPEHAB-SFYZADRCSA-N 1 0 321.240 2.165 10 0 DEAERO COC(=O)CC1(NCc2noc(-c3ccccc3)n2)CCC1 ZINC000459390608 405884443 /nfs/dbraw/zinc/88/44/43/405884443.db2.gz BNIZNVXJVUUPBF-UHFFFAOYSA-N 1 0 301.346 2.312 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)COCc2cccc(Cl)c2)C1 ZINC000457454914 405846453 /nfs/dbraw/zinc/84/64/53/405846453.db2.gz LHESMGUTTRNUIZ-CQSZACIVSA-N 1 0 310.825 2.315 10 0 DEAERO C[C@@H]1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530813701 405863936 /nfs/dbraw/zinc/86/39/36/405863936.db2.gz AXRXJCONRZYNBS-APWZRJJASA-N 1 0 316.445 2.272 10 0 DEAERO O[C@H](CC[NH2+]Cc1ccncc1Br)C(F)(F)F ZINC000639172315 405943465 /nfs/dbraw/zinc/94/34/65/405943465.db2.gz NRGSYDSAVCFAMX-SECBINFHSA-N 1 0 313.117 2.247 10 0 DEAERO O[C@@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)Cn1ccnn1 ZINC000459704903 406011154 /nfs/dbraw/zinc/01/11/54/406011154.db2.gz TZJAABAJVIBSIR-HNNXBMFYSA-N 1 0 314.414 2.157 10 0 DEAERO C([NH2+][C@@H]1CC[C@@H]1C1CCC1)C1(N2CCOCC2)CCOCC1 ZINC000459710486 406014951 /nfs/dbraw/zinc/01/49/51/406014951.db2.gz LVYHIOXLIPNEGC-IAGOWNOFSA-N 1 0 308.466 2.036 10 0 DEAERO c1c(C[N@@H+]2CCCC[C@@H]2C2CCC2)nnn1C[C@H]1CCOC1 ZINC000639290353 406026593 /nfs/dbraw/zinc/02/65/93/406026593.db2.gz ROGXAJBHFBKUHL-RHSMWYFYSA-N 1 0 304.438 2.469 10 0 DEAERO O=C(N[C@@H]1CCCC(F)(F)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000531772282 406005199 /nfs/dbraw/zinc/00/51/99/406005199.db2.gz CGFUPXPRTXAFCK-CHWSQXEVSA-N 1 0 301.381 2.444 10 0 DEAERO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000471782438 406117662 /nfs/dbraw/zinc/11/76/62/406117662.db2.gz SHOXYZXJVDUMLJ-NJZAAPMLSA-N 1 0 312.435 2.276 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1c[nH]c2ncccc12 ZINC000533100711 406121259 /nfs/dbraw/zinc/12/12/59/406121259.db2.gz OXHLCPIAHGZDCP-OAHLLOKOSA-N 1 0 300.406 2.096 10 0 DEAERO c1nc2n(n1)[C@H](C[NH2+]C1(Cc3ccccc3)CCOCC1)CC2 ZINC000639667409 406196773 /nfs/dbraw/zinc/19/67/73/406196773.db2.gz SMNGQYMJLJKXCH-INIZCTEOSA-N 1 0 312.417 2.147 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CCCCC(F)(F)C1)CC1(O)CCOCC1 ZINC000634715121 406242222 /nfs/dbraw/zinc/24/22/22/406242222.db2.gz XZXZPRXXVAXBTG-KBPBESRZSA-N 1 0 321.408 2.084 10 0 DEAERO Cn1cc(C[NH2+]CCOCC2CCC2)c(-c2cccnc2)n1 ZINC000569705584 406293073 /nfs/dbraw/zinc/29/30/73/406293073.db2.gz VCKZAKPBXUDRPG-UHFFFAOYSA-N 1 0 300.406 2.388 10 0 DEAERO C[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000546104239 406350435 /nfs/dbraw/zinc/35/04/35/406350435.db2.gz OHIAYGIIIDIJQY-ZFWWWQNUSA-N 1 0 317.351 2.456 10 0 DEAERO COc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000635000706 406393931 /nfs/dbraw/zinc/39/39/31/406393931.db2.gz UDQZDKUOMCVWHT-JQWIXIFHSA-N 1 0 313.239 2.484 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cncc(Br)c1 ZINC000569121947 292392243 /nfs/dbraw/zinc/39/22/43/292392243.db2.gz OLFPHGBGPUSXNG-BXKDBHETSA-N 1 0 312.211 2.116 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000634950309 406366375 /nfs/dbraw/zinc/36/63/75/406366375.db2.gz OUNRCWPZBAVMET-AWEZNQCLSA-N 1 0 301.839 2.439 10 0 DEAERO C[C@@H](C[NH2+][C@H]1CCCS(=O)(=O)CC1)N(C)Cc1ccccc1 ZINC000634961498 406372644 /nfs/dbraw/zinc/37/26/44/406372644.db2.gz WITQXUQMRPVETK-RDJZCZTQSA-N 1 0 324.490 2.064 10 0 DEAERO CC(C)C[C@@H]1CCCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637920003 406478497 /nfs/dbraw/zinc/47/84/97/406478497.db2.gz KHGYWRYNEKQVEC-ROUUACIJSA-N 1 0 317.477 2.483 10 0 DEAERO [NH3+]C1(CC(=O)NCC2CCC2)CCN(Cc2ccccc2)CC1 ZINC000637927780 406482767 /nfs/dbraw/zinc/48/27/67/406482767.db2.gz YIPYAOUGUUOMAE-UHFFFAOYSA-N 1 0 315.461 2.286 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+]CCOC1CCCC1 ZINC000490768013 406491760 /nfs/dbraw/zinc/49/17/60/406491760.db2.gz HPXPREVKVJUFMW-UHFFFAOYSA-N 1 0 300.406 2.375 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccncn2)[C@@H]1c1cccs1 ZINC000548289481 406497554 /nfs/dbraw/zinc/49/75/54/406497554.db2.gz XNQZOHBKCMECRG-IUODEOHRSA-N 1 0 316.430 2.351 10 0 DEAERO CN(Cc1ccccc1Br)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637878192 406458358 /nfs/dbraw/zinc/45/83/58/406458358.db2.gz INAZKAGAUSXHAF-LBPRGKRZSA-N 1 0 309.207 2.455 10 0 DEAERO O=C(NCc1ccccc1-n1cccn1)[C@H]1CCCc2nc[nH]c21 ZINC000550201994 406599887 /nfs/dbraw/zinc/59/98/87/406599887.db2.gz MXXYNODCTXRHMX-AWEZNQCLSA-N 1 0 321.384 2.332 10 0 DEAERO c1ccc(N2CC[C@H](C[N@@H+]3CCO[C@@H]([C@H]4CCCO4)C3)C2)cc1 ZINC000638172367 406605504 /nfs/dbraw/zinc/60/55/04/406605504.db2.gz ZWIFFFWYBWCQNY-BHIYHBOVSA-N 1 0 316.445 2.393 10 0 DEAERO OCC[C@H]1CSCC[N@@H+]1Cc1c[nH]nc1-c1ccsc1 ZINC000571981585 406589954 /nfs/dbraw/zinc/58/99/54/406589954.db2.gz MUCUJZOCLPHQGI-ZDUSSCGKSA-N 1 0 309.460 2.438 10 0 DEAERO C[C@@H]1CCCCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638313510 406693318 /nfs/dbraw/zinc/69/33/18/406693318.db2.gz XJGBCSKFEFTSTQ-WBVHZDCISA-N 1 0 303.450 2.094 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ncsc1Br ZINC000553096463 406734727 /nfs/dbraw/zinc/73/47/27/406734727.db2.gz PCIAZGBOQCDWPE-MRVPVSSYSA-N 1 0 320.256 2.366 10 0 DEAERO CCCN(CC[NH+]1CCCCC1)C(=O)c1cn2cccnc2n1 ZINC000553162505 406739750 /nfs/dbraw/zinc/73/97/50/406739750.db2.gz YYMSUFVNQNXPDK-UHFFFAOYSA-N 1 0 315.421 2.067 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC000635734581 406715227 /nfs/dbraw/zinc/71/52/27/406715227.db2.gz FZXWGVKZLPRHFY-OAHLLOKOSA-N 1 0 314.429 2.158 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000638370510 406730829 /nfs/dbraw/zinc/73/08/29/406730829.db2.gz KVFCIMKACVHDLO-KSZLIROESA-N 1 0 315.461 2.237 10 0 DEAERO C[C@@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)[NH+](C)C ZINC000459048556 286859665 /nfs/dbraw/zinc/85/96/65/286859665.db2.gz XUNBQPCLEBBSQQ-AWEZNQCLSA-N 1 0 317.433 2.215 10 0 DEAERO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)[C@H](C)O)CC2)cc1 ZINC000570242517 292471563 /nfs/dbraw/zinc/47/15/63/292471563.db2.gz XUJDLZCDJUDEPR-KGLIPLIRSA-N 1 0 320.433 2.049 10 0 DEAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(Br)s1 ZINC000128912364 196003707 /nfs/dbraw/zinc/00/37/07/196003707.db2.gz BKIPEWFKOFRNTQ-NXEZZACHSA-N 1 0 317.252 2.439 10 0 DEAERO CS(=O)(=O)c1ccc(Cl)c(N[C@H]2CCC[NH2+]CC2)c1 ZINC000128984298 196009618 /nfs/dbraw/zinc/00/96/18/196009618.db2.gz TYXISZIRTWRXAO-JTQLQIEISA-N 1 0 302.827 2.298 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(C)c1 ZINC000246246139 287231522 /nfs/dbraw/zinc/23/15/22/287231522.db2.gz SDFIIZGZZWAKPF-CABCVRRESA-N 1 0 308.447 2.242 10 0 DEAERO O=C(CC1([NH+]2CCOCC2)CCCC1)NCCc1ccsc1 ZINC000129223339 196030380 /nfs/dbraw/zinc/03/03/80/196030380.db2.gz YDDVSZPGHOFYNJ-UHFFFAOYSA-N 1 0 322.474 2.442 10 0 DEAERO O=C(C1CC[NH+](C[C@H]2CCCO2)CC1)N1CCc2ccccc21 ZINC000129389009 196044403 /nfs/dbraw/zinc/04/44/03/196044403.db2.gz SMOIILYUIMABAX-QGZVFWFLSA-N 1 0 314.429 2.467 10 0 DEAERO C[C@H](CC[NH3+])C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000129442493 196048462 /nfs/dbraw/zinc/04/84/62/196048462.db2.gz HOWFSLVRKAGSHE-SNVBAGLBSA-N 1 0 304.312 2.229 10 0 DEAERO CC1(CNc2ccc(S(=O)(=O)C(F)F)cc2)CC[NH2+]CC1 ZINC000129457848 196050528 /nfs/dbraw/zinc/05/05/28/196050528.db2.gz DYJOLFFIFMMRGR-UHFFFAOYSA-N 1 0 318.389 2.485 10 0 DEAERO C[NH2+]C[C@@H](C)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000129458656 196050641 /nfs/dbraw/zinc/05/06/41/196050641.db2.gz WUFVOLSLRBQESA-WSKFYRRCSA-N 1 0 302.827 2.086 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)CC[C@@H](C)C[NH3+] ZINC000129561882 196057817 /nfs/dbraw/zinc/05/78/17/196057817.db2.gz UDRRTFYDSZTOMU-MRVPVSSYSA-N 1 0 300.200 2.466 10 0 DEAERO COc1ccc(CC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000129582387 196059903 /nfs/dbraw/zinc/05/99/03/196059903.db2.gz JELBSJMTCBTCKT-UHFFFAOYSA-N 1 0 304.434 2.474 10 0 DEAERO C[NH2+][C@H](Cc1cc(C)nn1C)c1ccc(Br)cn1 ZINC000130801278 196110888 /nfs/dbraw/zinc/11/08/88/196110888.db2.gz KGKQXKKJOZCJMS-CYBMUJFWSA-N 1 0 309.211 2.389 10 0 DEAERO C[C@H](CN1C(=O)C2(CC2)N[C@@H]1c1cccs1)[NH+]1CCCC1 ZINC000130797686 196110999 /nfs/dbraw/zinc/11/09/99/196110999.db2.gz NLPYNHQJTCLXPL-OCCSQVGLSA-N 1 0 305.447 2.195 10 0 DEAERO CCCCCCOC[C@H](O)C[NH2+]CC1(CO)CCCCC1 ZINC000130909428 196121398 /nfs/dbraw/zinc/12/13/98/196121398.db2.gz GREWFJBXIYUTQY-MRXNPFEDSA-N 1 0 301.471 2.477 10 0 DEAERO CC(C)C[C@@H](C)OC[C@@H](O)C[NH2+]CC1(CO)CCCCC1 ZINC000130932484 196124178 /nfs/dbraw/zinc/12/41/78/196124178.db2.gz RFONRTUVBQXKAK-CVEARBPZSA-N 1 0 301.471 2.331 10 0 DEAERO Cc1nsc(S[C@@H]2CCC[C@]([NH2+]C(C)C)(C(N)=O)C2)n1 ZINC000131106970 196140437 /nfs/dbraw/zinc/14/04/37/196140437.db2.gz UHPCYPZOTKKZDW-ZWNOBZJWSA-N 1 0 314.480 2.103 10 0 DEAERO CC(C)[C@](C)(C[NH3+])NS(=O)(=O)c1ccc(F)cc1Cl ZINC000131156928 196144892 /nfs/dbraw/zinc/14/48/92/196144892.db2.gz TWZKWUUWNVYIAM-LBPRGKRZSA-N 1 0 308.806 2.131 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@H](C)CCSC)cc1 ZINC000131233629 196151942 /nfs/dbraw/zinc/15/19/42/196151942.db2.gz PTUVWCWRAQPCOA-NEPJUHHUSA-N 1 0 316.492 2.387 10 0 DEAERO CCNC(=O)c1ccc(NC[C@H]2CCC[N@@H+]2CC(C)C)nc1 ZINC000131479670 196172756 /nfs/dbraw/zinc/17/27/56/196172756.db2.gz AAACUPRRTIHMEF-OAHLLOKOSA-N 1 0 304.438 2.364 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NCC[C@H](C)SC)o1 ZINC000131611883 196184285 /nfs/dbraw/zinc/18/42/85/196184285.db2.gz AXOTXRGXGSSGEO-NSHDSACASA-N 1 0 320.480 2.199 10 0 DEAERO CCc1nc(-c2ncccc2Br)nc2c1C[NH2+]C2 ZINC000131725407 196194268 /nfs/dbraw/zinc/19/42/68/196194268.db2.gz AZZVGSDXTUFIAL-UHFFFAOYSA-N 1 0 305.179 2.467 10 0 DEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)c1ncccc1F ZINC000131732745 196194893 /nfs/dbraw/zinc/19/48/93/196194893.db2.gz BFTSPAILCUKDPD-ZDUSSCGKSA-N 1 0 302.415 2.476 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)ccc1F ZINC000131769348 196197762 /nfs/dbraw/zinc/19/77/62/196197762.db2.gz MKHQVTFOLCPDFH-RYUDHWBXSA-N 1 0 314.426 2.212 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccncc1F ZINC000131795941 196200435 /nfs/dbraw/zinc/20/04/35/196200435.db2.gz OKUCQXOAELBGHQ-AWEZNQCLSA-N 1 0 301.365 2.123 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000131852465 196205028 /nfs/dbraw/zinc/20/50/28/196205028.db2.gz KBKQFCWACOQMMU-SXSDBLRQSA-N 1 0 315.417 2.281 10 0 DEAERO COC[C@@H](C)[C@H](C[NH3+])N1CCN(c2ccccc2Cl)CC1 ZINC000131934735 196211536 /nfs/dbraw/zinc/21/15/36/196211536.db2.gz RHHCSIVPUFLUDM-CJNGLKHVSA-N 1 0 311.857 2.072 10 0 DEAERO CCn1nc(C)c(Br)c1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000131983438 196216042 /nfs/dbraw/zinc/21/60/42/196216042.db2.gz BHHFTSKCWCGFNZ-ONGXEEELSA-N 1 0 315.259 2.286 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccccc2OC(F)(F)F)CCOCC1 ZINC000132063490 196223207 /nfs/dbraw/zinc/22/32/07/196223207.db2.gz GLORISYIPDHEAK-UHFFFAOYSA-N 1 0 304.268 2.032 10 0 DEAERO CCCn1nc(C)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000132179745 196233203 /nfs/dbraw/zinc/23/32/03/196233203.db2.gz UJBDBCSHGZNPIC-DOMZBBRYSA-N 1 0 306.454 2.465 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1sc2cccnc2c1N ZINC000132261323 196239901 /nfs/dbraw/zinc/23/99/01/196239901.db2.gz IMIVMOKPVOEPHS-JTQLQIEISA-N 1 0 304.419 2.045 10 0 DEAERO C[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000132509403 196261377 /nfs/dbraw/zinc/26/13/77/196261377.db2.gz XYQPTGZVWJBBNZ-PWSUYJOCSA-N 1 0 300.324 2.362 10 0 DEAERO CCC[C@@H](C(=O)Nc1n[nH]c(-c2ccccc2F)n1)[NH+](C)C ZINC000132521195 196262069 /nfs/dbraw/zinc/26/20/69/196262069.db2.gz GHAWKDVXCRAXTD-LBPRGKRZSA-N 1 0 305.357 2.280 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H](COCc2cc(Br)ccc2F)O1 ZINC000132595928 196268950 /nfs/dbraw/zinc/26/89/50/196268950.db2.gz WKEQBAVYNZEVMU-CABZTGNLSA-N 1 0 318.186 2.482 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000132608293 196270113 /nfs/dbraw/zinc/27/01/13/196270113.db2.gz WPMJDWVIQKPZDM-ZIAGYGMSSA-N 1 0 304.438 2.210 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCCn3ccnc3C)[C@H]2C1 ZINC000132724111 196278177 /nfs/dbraw/zinc/27/81/77/196278177.db2.gz GMFCJUCUVAVCGH-IKGGRYGDSA-N 1 0 307.438 2.240 10 0 DEAERO CC[C@@H]([NH2+]CCNC(N)=O)c1cccc(Br)c1 ZINC000132745060 196280127 /nfs/dbraw/zinc/28/01/27/196280127.db2.gz UTASHCMCZXGVGP-LLVKDONJSA-N 1 0 300.200 2.158 10 0 DEAERO O[C@@H](Cc1cc(F)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000133096464 196311950 /nfs/dbraw/zinc/31/19/50/196311950.db2.gz PAINCIJAKHIJAP-RNCFNFMXSA-N 1 0 302.187 2.491 10 0 DEAERO CCC[NH2+][C@@H](Cc1cc(C)ccc1OC)[C@@H](C)S(C)(=O)=O ZINC000133155598 196317119 /nfs/dbraw/zinc/31/71/19/196317119.db2.gz XDPRCBMIBMWZLP-HIFRSBDPSA-N 1 0 313.463 2.347 10 0 DEAERO COC(=O)C[C@@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1cccs1 ZINC000133171373 196317883 /nfs/dbraw/zinc/31/78/83/196317883.db2.gz USKMLPUUZOAYNO-IAQYHMDHSA-N 1 0 310.419 2.001 10 0 DEAERO COC(=O)C[C@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1cccs1 ZINC000133171025 196318197 /nfs/dbraw/zinc/31/81/97/196318197.db2.gz USKMLPUUZOAYNO-XHDPSFHLSA-N 1 0 310.419 2.001 10 0 DEAERO CCC[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000133294176 196328537 /nfs/dbraw/zinc/32/85/37/196328537.db2.gz HOGRIOBHOYVKPG-OAHLLOKOSA-N 1 0 310.463 2.456 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CC[C@H](NC(C)=O)C1 ZINC000133812252 196337445 /nfs/dbraw/zinc/33/74/45/196337445.db2.gz FPTXXHAZZKLPJY-MJVIPROJSA-N 1 0 315.870 2.390 10 0 DEAERO COCC[NH2+]C[C@H](COC)c1ccccc1Br ZINC000134062787 196358416 /nfs/dbraw/zinc/35/84/16/196358416.db2.gz GXEKENYANPBVIQ-LLVKDONJSA-N 1 0 302.212 2.415 10 0 DEAERO CC[S@@](=O)CCn1c2c(nc1C1CCCCC1)C[NH2+]CC2 ZINC000134228616 196371728 /nfs/dbraw/zinc/37/17/28/196371728.db2.gz IQZSKGCQCKKJBF-NRFANRHFSA-N 1 0 309.479 2.345 10 0 DEAERO COc1ccc(C[C@@]2(O)CCC[N@H+](C)C2)cc1Br ZINC000134345749 196380732 /nfs/dbraw/zinc/38/07/32/196380732.db2.gz SFBFPZFVXLSCED-AWEZNQCLSA-N 1 0 314.223 2.457 10 0 DEAERO C[N@@H+]1CCC[C@]2(CC(=O)NC(=O)[C@@H]2c2cccc(Cl)c2)C1 ZINC000134372786 196382451 /nfs/dbraw/zinc/38/24/51/196382451.db2.gz OYMBNUYXJYCTJX-HOCLYGCPSA-N 1 0 306.793 2.182 10 0 DEAERO CN1CCC[C@@]2(C[NH+]=C(N)N2c2ccccc2Br)C1 ZINC000134375910 196383970 /nfs/dbraw/zinc/38/39/70/196383970.db2.gz WDXJBLWHJXQQIC-CQSZACIVSA-N 1 0 323.238 2.048 10 0 DEAERO C[C@@](C[NH3+])(NS(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000134472750 196394496 /nfs/dbraw/zinc/39/44/96/196394496.db2.gz RPMZTLKLOMYVHP-INIZCTEOSA-N 1 0 310.463 2.360 10 0 DEAERO CC(C)[C@@H](O)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000134864551 196424481 /nfs/dbraw/zinc/42/44/81/196424481.db2.gz HGSIKMFDUJDNRI-KGLIPLIRSA-N 1 0 300.443 2.240 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@](C)(CC)C(N)=S ZINC000136294198 196529946 /nfs/dbraw/zinc/52/99/46/196529946.db2.gz OXCHWAZYWQYIPU-WFASDCNBSA-N 1 0 301.500 2.316 10 0 DEAERO CC(C)c1cc(Br)ccc1O[C@@H]1C[NH2+]C[C@@H]1O ZINC000136471649 196538423 /nfs/dbraw/zinc/53/84/23/196538423.db2.gz DGVSFGMRCZEKQI-WCQYABFASA-N 1 0 300.196 2.284 10 0 DEAERO c1cc(-c2noc(CN3CC[C@@H](C[NH+]4CCCC4)C3)n2)co1 ZINC000150800006 196587459 /nfs/dbraw/zinc/58/74/59/196587459.db2.gz JTNMFVCOQVYSBL-ZDUSSCGKSA-N 1 0 302.378 2.247 10 0 DEAERO COC[C@H]([NH2+]CCN(C)Cc1ccccc1)C1CCOCC1 ZINC000187817978 225000301 /nfs/dbraw/zinc/00/03/01/225000301.db2.gz RGZPRFOLJKDYSQ-SFHVURJKSA-N 1 0 306.450 2.150 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)c2ncc(F)cc2F)ccc1F ZINC000192120266 225125603 /nfs/dbraw/zinc/12/56/03/225125603.db2.gz DSEOCKPAOFJQGM-UHFFFAOYSA-N 1 0 323.318 2.491 10 0 DEAERO C[C@H](COc1cccc(F)c1)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417239267 228993039 /nfs/dbraw/zinc/99/30/39/228993039.db2.gz KRGRIDROHCUVGW-CYBMUJFWSA-N 1 0 323.412 2.282 10 0 DEAERO C[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000052287006 424837789 /nfs/dbraw/zinc/83/77/89/424837789.db2.gz VJMHYOYRRABBHL-SUZMYJTESA-N 1 0 300.196 2.187 10 0 DEAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000056194647 424839249 /nfs/dbraw/zinc/83/92/49/424839249.db2.gz QDUDWKXYAXRQKY-NEPJUHHUSA-N 1 0 305.422 2.479 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886477 424849585 /nfs/dbraw/zinc/84/95/85/424849585.db2.gz TUEXWPWSBRBWPC-QGZVFWFLSA-N 1 0 318.465 2.386 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)N2CCSc3ccccc32)CC1 ZINC000193811789 424870988 /nfs/dbraw/zinc/87/09/88/424870988.db2.gz KDADXWMWNCRZFZ-UHFFFAOYSA-N 1 0 319.474 2.151 10 0 DEAERO CCCc1cc(NCC[N@@H+]2CCCC[C@H]2C)n2ncnc2n1 ZINC000194269970 424875183 /nfs/dbraw/zinc/87/51/83/424875183.db2.gz HDSKGJFJBGRNMW-CYBMUJFWSA-N 1 0 302.426 2.363 10 0 DEAERO c1ccc2c(c1)oc1c2ncnc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363197130 424854803 /nfs/dbraw/zinc/85/48/03/424854803.db2.gz HWTZBUIQVFSLFA-CHWSQXEVSA-N 1 0 324.384 2.651 10 0 DEAERO CCC[C@H](C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1)[NH+](C)C ZINC000154488244 424861652 /nfs/dbraw/zinc/86/16/52/424861652.db2.gz HJOVRVSQCPHGIA-DJIMGWMZSA-N 1 0 306.450 2.388 10 0 DEAERO Cc1nc(C)c(F)c(NCC2([NH+]3CCCCC3)CCOCC2)n1 ZINC000329676697 424905908 /nfs/dbraw/zinc/90/59/08/424905908.db2.gz PRFDMLRCVPNDSX-UHFFFAOYSA-N 1 0 322.428 2.680 10 0 DEAERO CCn1ncnc1CNC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379650349 424907511 /nfs/dbraw/zinc/90/75/11/424907511.db2.gz RNBJHHNAETZXLL-QGZVFWFLSA-N 1 0 313.449 2.442 10 0 DEAERO CC[C@H](C)n1nc(NC(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000333145891 424919455 /nfs/dbraw/zinc/91/94/55/424919455.db2.gz LVARWFSRPNZTIF-GXTWGEPZSA-N 1 0 307.442 2.768 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2c(F)cccc2Br)CCOC1 ZINC000404136290 424925590 /nfs/dbraw/zinc/92/55/90/424925590.db2.gz CJZVQLPYJOKOGJ-ZDUSSCGKSA-N 1 0 318.186 2.219 10 0 DEAERO C[C@H](OCc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000404563198 424928415 /nfs/dbraw/zinc/92/84/15/424928415.db2.gz ZDKDAILCMKJTTM-GOEBONIOSA-N 1 0 302.418 2.383 10 0 DEAERO CCO[C@@H]1CN(C(=O)c2cc3sccc3s2)C[C@H]1C[NH3+] ZINC000405860789 424931476 /nfs/dbraw/zinc/93/14/76/424931476.db2.gz NITRRCJKDCBYMO-NXEZZACHSA-N 1 0 310.444 2.399 10 0 DEAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1COCCOC1 ZINC000311196257 424894724 /nfs/dbraw/zinc/89/47/24/424894724.db2.gz IFEZFBIZAKBKSA-LLVKDONJSA-N 1 0 314.223 2.385 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)CC1=O ZINC000657697633 425387367 /nfs/dbraw/zinc/38/73/67/425387367.db2.gz QREAYTYMTGZBAI-JTQLQIEISA-N 1 0 315.186 2.156 10 0 DEAERO O=C(NCc1ccc(Cl)s1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653072009 425396226 /nfs/dbraw/zinc/39/62/26/425396226.db2.gz AVAHNOKNNNNIGA-HTQZYQBOSA-N 1 0 312.744 2.416 10 0 DEAERO CCc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)ccc1C ZINC000180614509 267602234 /nfs/dbraw/zinc/60/22/34/267602234.db2.gz GIWILEJWSOMNEI-INIZCTEOSA-N 1 0 317.433 2.049 10 0 DEAERO CC(C)OCCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193066866 267751222 /nfs/dbraw/zinc/75/12/22/267751222.db2.gz CFBLQHNZSCIBHB-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1cccc2c1CCC2 ZINC000194376875 267784571 /nfs/dbraw/zinc/78/45/71/267784571.db2.gz BSXOGULRFUZLKJ-UHFFFAOYSA-N 1 0 302.418 2.018 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000194640477 268553596 /nfs/dbraw/zinc/55/35/96/268553596.db2.gz HCNLUXLGUZVGKK-KRWDZBQOSA-N 1 0 312.417 2.146 10 0 DEAERO COc1c(Cl)cccc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333079447 268882113 /nfs/dbraw/zinc/88/21/13/268882113.db2.gz AMWWSHBRJSSDTH-GHMZBOCLSA-N 1 0 309.797 2.422 10 0 DEAERO O=C(c1cc(-c2cccs2)n[nH]1)N1CCC2(CC[NH2+]2)CC1 ZINC000333882513 269000131 /nfs/dbraw/zinc/00/01/31/269000131.db2.gz WMJODXRYPMAGLI-UHFFFAOYSA-N 1 0 302.403 2.106 10 0 DEAERO CC(C)C[C@@H]1C(=O)NCCCN1C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000334130744 269023011 /nfs/dbraw/zinc/02/30/11/269023011.db2.gz UCLQSIAWSHUKOC-LVQVYYBASA-N 1 0 323.481 2.011 10 0 DEAERO O=C(NC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1)C1CC1 ZINC000363667661 269067770 /nfs/dbraw/zinc/06/77/70/269067770.db2.gz ZSPACLAUNSLZDI-UHFFFAOYSA-N 1 0 314.389 2.160 10 0 DEAERO C[C@H](C[C@H]1COCCN1)[NH2+]CCCCOCc1ccccc1 ZINC000390553585 269097303 /nfs/dbraw/zinc/09/73/03/269097303.db2.gz FPUJORLPCWZMAK-AEFFLSMTSA-N 1 0 306.450 2.340 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000396446697 269102997 /nfs/dbraw/zinc/10/29/97/269102997.db2.gz AKTCMANFAHLIJR-AMIZOPFISA-N 1 0 315.211 2.407 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397304639 269105593 /nfs/dbraw/zinc/10/55/93/269105593.db2.gz GFKASXNMJQTFGR-JZXOWHBKSA-N 1 0 317.477 2.340 10 0 DEAERO CC(C)(C)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397503600 269106724 /nfs/dbraw/zinc/10/67/24/269106724.db2.gz BHRIKEADPMXARD-UHFFFAOYSA-N 1 0 304.434 2.176 10 0 DEAERO C[NH+](C)C1(CNC(=O)c2csc(Br)c2)CC1 ZINC000397779269 269107752 /nfs/dbraw/zinc/10/77/52/269107752.db2.gz CLLGUNADIPYSQX-UHFFFAOYSA-N 1 0 303.225 2.335 10 0 DEAERO CC(=O)N(c1nc(C[NH2+][C@@H]2CCOC[C@@H]2C)cs1)C1CC1 ZINC000432345280 269134937 /nfs/dbraw/zinc/13/49/37/269134937.db2.gz FAVFESZOITVOIA-IINYFYTJSA-N 1 0 309.435 2.173 10 0 DEAERO CCN1CCC[C@@H]([NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495606443 269159445 /nfs/dbraw/zinc/15/94/45/269159445.db2.gz YBHFMNLPFLYBHG-UKRRQHHQSA-N 1 0 311.470 2.316 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[C@H](O)CC2)CC1 ZINC000512397624 269321071 /nfs/dbraw/zinc/32/10/71/269321071.db2.gz GVAZOFGAGLLIHW-WKILWMFISA-N 1 0 311.470 2.053 10 0 DEAERO O=C(NCCc1cn2ccccc2n1)C1(c2cccnc2)CC1 ZINC000516697459 269367102 /nfs/dbraw/zinc/36/71/02/269367102.db2.gz RJARQKOXMZDZOA-UHFFFAOYSA-N 1 0 306.369 2.120 10 0 DEAERO COc1cc2c(c(CN3CC[N@@H+]4CCC[C@H]4C3)c1)O[C@@H](C)C2 ZINC000245781193 274100029 /nfs/dbraw/zinc/10/00/29/274100029.db2.gz UHARMGMAKHSMPR-BBRMVZONSA-N 1 0 302.418 2.299 10 0 DEAERO CSC1(CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000194915104 274174766 /nfs/dbraw/zinc/17/47/66/274174766.db2.gz LDWLRAQVOZINKS-OAHLLOKOSA-N 1 0 321.490 2.354 10 0 DEAERO C[C@@H](CNC(=O)c1cnn2c1CCCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000126954497 274224239 /nfs/dbraw/zinc/22/42/39/274224239.db2.gz BSPRMLFNLZEDRM-KBPBESRZSA-N 1 0 304.438 2.070 10 0 DEAERO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cn(C)nc2C(C)C)C[C@H]1C ZINC000435173198 276246848 /nfs/dbraw/zinc/24/68/48/276246848.db2.gz IZPPSTYRJJPHPI-OLZOCXBDSA-N 1 0 307.442 2.490 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)C12CCC2 ZINC000247108762 276347397 /nfs/dbraw/zinc/34/73/97/276347397.db2.gz VMBUYADDLOHAGD-ARFHVFGLSA-N 1 0 316.449 2.383 10 0 DEAERO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183483796 276391732 /nfs/dbraw/zinc/39/17/32/276391732.db2.gz DMHRKYCZXPBHCI-HNNXBMFYSA-N 1 0 310.463 2.032 10 0 DEAERO CC(=O)N1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)c2ccccc21 ZINC000372031451 277009411 /nfs/dbraw/zinc/00/94/11/277009411.db2.gz MIMNFPCOLKCUDW-KRWDZBQOSA-N 1 0 323.396 2.373 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCO[C@@H]2C)c2ccc(F)cc2C1 ZINC000248689156 277010278 /nfs/dbraw/zinc/01/02/78/277010278.db2.gz AEVRSZWYXBKLKU-LQAWEQHXSA-N 1 0 306.381 2.386 10 0 DEAERO C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000360501895 277055030 /nfs/dbraw/zinc/05/50/30/277055030.db2.gz ZNMZUZUDSPVMPL-MRXNPFEDSA-N 1 0 300.402 2.176 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000451042817 277101310 /nfs/dbraw/zinc/10/13/10/277101310.db2.gz DXOUHZZPFNVWGU-BZUAXINKSA-N 1 0 310.825 2.015 10 0 DEAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000174369923 277110709 /nfs/dbraw/zinc/11/07/09/277110709.db2.gz BGWGHGVFLRUPOT-QGZVFWFLSA-N 1 0 316.449 2.320 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cncc(Cl)n2)[C@H]1c1ccccc1 ZINC000248739848 277137958 /nfs/dbraw/zinc/13/79/58/277137958.db2.gz CYUIJAPOPVLYPT-IUODEOHRSA-N 1 0 316.792 2.305 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3c2OCCO3)C1 ZINC000247329775 277181856 /nfs/dbraw/zinc/18/18/56/277181856.db2.gz UTSFBQZFJFVWIV-ZFWWWQNUSA-N 1 0 316.401 2.014 10 0 DEAERO COC1([C@@H](C)[NH2+]C[C@H](Cc2ccccc2)N(C)C)CCOCC1 ZINC000453050707 277189819 /nfs/dbraw/zinc/18/98/19/277189819.db2.gz ADIHHNNKNVJZIE-AEFFLSMTSA-N 1 0 320.477 2.333 10 0 DEAERO C[C@@H](CCNC(=O)c1cnn2c1CCCC2)[NH+]1CCCCC1 ZINC000183144281 277564758 /nfs/dbraw/zinc/56/47/58/277564758.db2.gz UPUGKPKSTOWKKC-AWEZNQCLSA-N 1 0 304.438 2.214 10 0 DEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C12CCC2 ZINC000329225378 277697400 /nfs/dbraw/zinc/69/74/00/277697400.db2.gz DAUGVGSVNZJHDJ-YALNPMBYSA-N 1 0 316.449 2.239 10 0 DEAERO COc1cccc2c(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cc(C)nc12 ZINC000301700993 278025007 /nfs/dbraw/zinc/02/50/07/278025007.db2.gz FQZVJYRGVPTLFD-RDJZCZTQSA-N 1 0 313.401 2.071 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000094635818 278116843 /nfs/dbraw/zinc/11/68/43/278116843.db2.gz OAQWJVWYPBIUCP-GZBFAFLISA-N 1 0 309.431 2.456 10 0 DEAERO CC1(C)CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC[C@H]1[NH3+] ZINC000261774529 278321922 /nfs/dbraw/zinc/32/19/22/278321922.db2.gz FWHGKUMKRSNYEZ-SECBINFHSA-N 1 0 317.311 2.005 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C[C@@H]1OCCc2ccccc21 ZINC000245898655 288080504 /nfs/dbraw/zinc/08/05/04/288080504.db2.gz KUDQTJQPCXHRBD-CPUCHLNUSA-N 1 0 302.418 2.242 10 0 DEAERO CCC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2)[NH+](C)C ZINC000119811257 278923020 /nfs/dbraw/zinc/92/30/20/278923020.db2.gz NSCJWOXPAURUMH-IAQYHMDHSA-N 1 0 303.406 2.089 10 0 DEAERO CC[NH+](CC)CCNC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000190129919 279105532 /nfs/dbraw/zinc/10/55/32/279105532.db2.gz UEUVXXBMICXZKB-UHFFFAOYSA-N 1 0 311.470 2.461 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCOC[C@H]1c1ccc(C)o1 ZINC000117031574 279157306 /nfs/dbraw/zinc/15/73/06/279157306.db2.gz XVVFTLBVEGPWDX-HIFRSBDPSA-N 1 0 323.437 2.401 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)CC1CCCCC1 ZINC000175393578 279327968 /nfs/dbraw/zinc/32/79/68/279327968.db2.gz WILZATSXFJPSCL-HNNXBMFYSA-N 1 0 302.484 2.313 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000183069288 279332566 /nfs/dbraw/zinc/33/25/66/279332566.db2.gz OVMZPZMHYYVUNH-LSDHHAIUSA-N 1 0 305.426 2.131 10 0 DEAERO C[C@H]1CCN(c2ncnc3c2cnn3-c2ccccc2)[C@H](C[NH3+])C1 ZINC000261606135 279731934 /nfs/dbraw/zinc/73/19/34/279731934.db2.gz CRUSDJCXKFQIIT-ZFWWWQNUSA-N 1 0 322.416 2.379 10 0 DEAERO Cc1c2ccccc2oc(=O)c1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262181329 280271352 /nfs/dbraw/zinc/27/13/52/280271352.db2.gz ZCZYHDKKXQPPBN-CQSZACIVSA-N 1 0 314.385 2.301 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000229382617 280516530 /nfs/dbraw/zinc/51/65/30/280516530.db2.gz DLHXLAJBTAUSOF-HZMBPMFUSA-N 1 0 314.426 2.190 10 0 DEAERO CCNC(=O)COc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1OC ZINC000126975897 281845568 /nfs/dbraw/zinc/84/55/68/281845568.db2.gz VKRDNLUJAHOACQ-ZDUSSCGKSA-N 1 0 320.433 2.488 10 0 DEAERO CC(C)c1nnc(CCC(=O)NC2CCC(C[NH+](C)C)CC2)o1 ZINC000129639544 281916693 /nfs/dbraw/zinc/91/66/93/281916693.db2.gz KCVFJNZUCBHXDF-UHFFFAOYSA-N 1 0 322.453 2.362 10 0 DEAERO Cc1cncc(CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000134439691 282041919 /nfs/dbraw/zinc/04/19/19/282041919.db2.gz SCDXJOOYLQLWRP-MRXNPFEDSA-N 1 0 304.438 2.310 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)C1 ZINC000127207626 289382966 /nfs/dbraw/zinc/38/29/66/289382966.db2.gz ZJPKASHOLUVOPG-RYUDHWBXSA-N 1 0 307.360 2.453 10 0 DEAERO CN(CC1(O)CCCCCC1)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000342112189 289392621 /nfs/dbraw/zinc/39/26/21/289392621.db2.gz OBDSIPWNTQAERT-GJZGRUSLSA-N 1 0 311.470 2.196 10 0 DEAERO C[C@H](C[NH2+][C@@H](C)c1nc2c(s1)CCCC2)N1CCOCC1 ZINC000093371631 289690495 /nfs/dbraw/zinc/69/04/95/289690495.db2.gz FIKPEJKMVQNTEO-OLZOCXBDSA-N 1 0 309.479 2.393 10 0 DEAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000192500827 290492484 /nfs/dbraw/zinc/49/24/84/290492484.db2.gz ZSYGWLSNDKIOLC-JGLRWDLQSA-N 1 0 307.438 2.025 10 0 DEAERO Cn1cc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000092849879 294241280 /nfs/dbraw/zinc/24/12/80/294241280.db2.gz SAJGBXOUHZCBJD-HOCLYGCPSA-N 1 0 318.808 2.135 10 0 DEAERO COc1ccccc1-n1nccc1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261802091 295345959 /nfs/dbraw/zinc/34/59/59/295345959.db2.gz HAVRJKDEVVORBZ-QGZVFWFLSA-N 1 0 314.433 2.440 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn(C)nc1C(C)(C)C ZINC000245551376 297100374 /nfs/dbraw/zinc/10/03/74/297100374.db2.gz BFKMRVNXJPJNGD-OLZOCXBDSA-N 1 0 304.438 2.026 10 0 DEAERO Cc1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)no1 ZINC000188981579 301148631 /nfs/dbraw/zinc/14/86/31/301148631.db2.gz XASLOIBCJBAJBH-ABAIWWIYSA-N 1 0 321.327 2.137 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000173256681 302743375 /nfs/dbraw/zinc/74/33/75/302743375.db2.gz IVHPBQWSNVWDKE-XJKSGUPXSA-N 1 0 322.497 2.308 10 0 DEAERO Cn1nccc1[C@H]1[C@H]([NH2+][C@H]2CCC23CCC3)CC(=O)N1C1CC1 ZINC000329049829 303097967 /nfs/dbraw/zinc/09/79/67/303097967.db2.gz WEFNUXJUVMGKAT-UKPHBRMFSA-N 1 0 314.433 2.147 10 0 DEAERO CCN(CCNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1C ZINC000170830188 325715508 /nfs/dbraw/zinc/71/55/08/325715508.db2.gz ZZVOAXFKNJWNOL-MRXNPFEDSA-N 1 0 318.465 2.167 10 0 DEAERO Brc1cccc(OCC[NH2+]Cc2cncnc2)c1 ZINC000171132076 325718104 /nfs/dbraw/zinc/71/81/04/325718104.db2.gz RTIPNBBTIDPULT-UHFFFAOYSA-N 1 0 308.179 2.408 10 0 DEAERO Brc1cnc(CN2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000575312126 326232806 /nfs/dbraw/zinc/23/28/06/326232806.db2.gz DRICDXYMMGEVFX-LBPRGKRZSA-N 1 0 316.268 2.481 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)NCCC1Cc2ccccc2C1 ZINC000575790109 326245659 /nfs/dbraw/zinc/24/56/59/326245659.db2.gz QLEOOVPSXHUPKT-UHFFFAOYSA-N 1 0 303.450 2.385 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(C)s1 ZINC000576107154 326269911 /nfs/dbraw/zinc/26/99/11/326269911.db2.gz AHHVBDIVYCKQDG-CQSZACIVSA-N 1 0 314.476 2.129 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(C)nc2)C12CCOCC2 ZINC000186333092 332921870 /nfs/dbraw/zinc/92/18/70/332921870.db2.gz SGVDZWZTJLEUTQ-IAGOWNOFSA-N 1 0 304.434 2.496 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000189042668 333061359 /nfs/dbraw/zinc/06/13/59/333061359.db2.gz MBDQKPLGBKXBQB-AWEZNQCLSA-N 1 0 300.805 2.368 10 0 DEAERO C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)CS(C)(=O)=O ZINC000180843955 333165387 /nfs/dbraw/zinc/16/53/87/333165387.db2.gz NQOCZQJEYULOFD-KGLIPLIRSA-N 1 0 321.446 2.204 10 0 DEAERO COC[C@@H](C)C[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000189640820 333191115 /nfs/dbraw/zinc/19/11/15/333191115.db2.gz IKVANZUUXHPDEB-INIZCTEOSA-N 1 0 304.434 2.425 10 0 DEAERO Cc1noc(CC[NH2+][C@@H](C)c2ccc(Br)cn2)n1 ZINC000582898090 337212449 /nfs/dbraw/zinc/21/24/49/337212449.db2.gz ZHRJQCRBBREGPS-QMMMGPOBSA-N 1 0 311.183 2.429 10 0 DEAERO Cc1noc(C)c1[C@@H](C)CNC(=O)c1conc1C(C)(C)[NH3+] ZINC000582915635 337217452 /nfs/dbraw/zinc/21/74/52/337217452.db2.gz RIGOGVIIIKWASI-QMMMGPOBSA-N 1 0 306.366 2.007 10 0 DEAERO C[N@@H+]1C[C@H](O)C[C@@H](C(O)(c2cccs2)c2cccs2)C1 ZINC000584631764 337377080 /nfs/dbraw/zinc/37/70/80/337377080.db2.gz UAQNWQBJYFDZLR-VXGBXAGGSA-N 1 0 309.456 2.358 10 0 DEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192497461 341869159 /nfs/dbraw/zinc/86/91/59/341869159.db2.gz SRARQIAFONTLAB-CYBMUJFWSA-N 1 0 305.447 2.174 10 0 DEAERO CCN(CCC[NH+](CC)CC)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000249083199 535505418 /nfs/dbraw/zinc/50/54/18/535505418.db2.gz MVLNZKNMYQJQFL-OAHLLOKOSA-N 1 0 319.515 2.017 10 0 DEAERO C[C@@H]1CCC[C@@](CNc2nn3c(nccc3=O)s2)([NH+](C)C)C1 ZINC000301072512 533799389 /nfs/dbraw/zinc/79/93/89/533799389.db2.gz HCGHUFWTYYLGHH-IAQYHMDHSA-N 1 0 321.450 2.073 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)C1(Cc2ccccc2F)CC1 ZINC000442620184 534344166 /nfs/dbraw/zinc/34/41/66/534344166.db2.gz LFBAKLSIMWEVJH-UHFFFAOYSA-N 1 0 313.376 2.194 10 0 DEAERO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000337312072 518415382 /nfs/dbraw/zinc/41/53/82/518415382.db2.gz WTORYAZBMGPUKW-OZVXOSDZSA-N 1 0 322.474 2.397 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSCc2ccncc2)C1 ZINC000158885871 519691052 /nfs/dbraw/zinc/69/10/52/519691052.db2.gz DYFWKYDBSNUBCQ-HIFRSBDPSA-N 1 0 307.463 2.160 10 0 DEAERO CC(C)CNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000008173690 519737012 /nfs/dbraw/zinc/73/70/12/519737012.db2.gz JDELZRSAJXEQEX-NSHDSACASA-N 1 0 311.813 2.472 10 0 DEAERO CCOCCN1CC[N@H+](CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC000105903008 519919761 /nfs/dbraw/zinc/91/97/61/519919761.db2.gz GSGRYRBLDBONEJ-INIZCTEOSA-N 1 0 319.449 2.058 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000193846382 534485316 /nfs/dbraw/zinc/48/53/16/534485316.db2.gz BWJYEEZXDASKLC-ILXRZTDVSA-N 1 0 306.406 2.205 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2cc(C)n[nH]2)C12CCOCC2 ZINC000248982000 520377224 /nfs/dbraw/zinc/37/72/24/520377224.db2.gz JDBBOCSJIHOJCB-DAXOMENPSA-N 1 0 307.438 2.213 10 0 DEAERO CCCCN(CCCC)C(=O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000103286320 520489526 /nfs/dbraw/zinc/48/95/26/520489526.db2.gz WFWHHNDZRZAACY-GJZGRUSLSA-N 1 0 311.470 2.001 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2sc([C@H](C)OC)nc2C)C1 ZINC000246546676 521648162 /nfs/dbraw/zinc/64/81/62/521648162.db2.gz YIOQTFFIWREGSR-RYUDHWBXSA-N 1 0 311.451 2.373 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2nccs2)[C@H](C)C1 ZINC000128800052 521718280 /nfs/dbraw/zinc/71/82/80/521718280.db2.gz DCWLWUWXSVFLHD-OLZOCXBDSA-N 1 0 310.467 2.057 10 0 DEAERO CC[N@@H+]1CC[C@H]2OCCN(CCc3ccc(F)c(F)c3)[C@@H]2C1 ZINC000339385521 521722858 /nfs/dbraw/zinc/72/28/58/521722858.db2.gz QLCLKJMTTJHKAC-IAGOWNOFSA-N 1 0 310.388 2.302 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)NCCc1cccnc1)c1ccccc1 ZINC000119962919 521859454 /nfs/dbraw/zinc/85/94/54/521859454.db2.gz PSTGTIFSKJYHQT-KRWDZBQOSA-N 1 0 312.417 2.226 10 0 DEAERO Cn1cc([C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)cn1 ZINC000156560131 521911905 /nfs/dbraw/zinc/91/19/05/521911905.db2.gz BQMOIQUSVGYPFW-MRXNPFEDSA-N 1 0 312.417 2.111 10 0 DEAERO COc1cc(C)ccc1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000155830566 522259165 /nfs/dbraw/zinc/25/91/65/522259165.db2.gz DCYCGTXAFDBMJA-INIZCTEOSA-N 1 0 315.417 2.159 10 0 DEAERO COCc1cc(NCC2CC[NH2+]CC2)nc(-c2cccnc2)n1 ZINC000070456032 522931762 /nfs/dbraw/zinc/93/17/62/522931762.db2.gz LGMSJEPRYYZKCU-UHFFFAOYSA-N 1 0 313.405 2.097 10 0 DEAERO COCCC1(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000131908186 523047198 /nfs/dbraw/zinc/04/71/98/523047198.db2.gz QWMGOZKTNOKFCY-MRXNPFEDSA-N 1 0 319.449 2.405 10 0 DEAERO CC[C@H]1CN(CCC(=O)c2ccc(C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000159341654 523276320 /nfs/dbraw/zinc/27/63/20/523276320.db2.gz RRCNSSNTHYQNEG-AEFFLSMTSA-N 1 0 318.461 2.345 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1cccc(F)c1 ZINC000111865404 523832084 /nfs/dbraw/zinc/83/20/84/523832084.db2.gz OLCFRFYHJAQELA-INIZCTEOSA-N 1 0 323.412 2.078 10 0 DEAERO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)c1C ZINC000237716841 524548084 /nfs/dbraw/zinc/54/80/84/524548084.db2.gz MBQCVXWCNDYQDA-HZPDHXFCSA-N 1 0 301.434 2.079 10 0 DEAERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ncncc1Cl ZINC000247238223 524633025 /nfs/dbraw/zinc/63/30/25/524633025.db2.gz ZTYYCLGWUXUVBU-UTUOFQBUSA-N 1 0 310.829 2.226 10 0 DEAERO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000247510841 524741286 /nfs/dbraw/zinc/74/12/86/524741286.db2.gz JOXIPLYCUOAEOA-NEPJUHHUSA-N 1 0 323.824 2.173 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000364241840 525079818 /nfs/dbraw/zinc/07/98/18/525079818.db2.gz HRKQPGIQYPLVBV-OCCSQVGLSA-N 1 0 302.374 2.114 10 0 DEAERO Cc1ccccc1[C@H](O)CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132138589 525430873 /nfs/dbraw/zinc/43/08/73/525430873.db2.gz UEDKXHXTRKPNDT-BHYGNILZSA-N 1 0 319.449 2.056 10 0 DEAERO Cc1nnc(CCC[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)o1 ZINC000299741914 534865942 /nfs/dbraw/zinc/86/59/42/534865942.db2.gz HSXKKPJJKYYMMC-AWEZNQCLSA-N 1 0 315.421 2.333 10 0 DEAERO Cc1ccc([C@H](C)CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000162208907 525878290 /nfs/dbraw/zinc/87/82/90/525878290.db2.gz PUEFPJCYNURSSO-NVXWUHKLSA-N 1 0 319.449 2.071 10 0 DEAERO CC(=O)CCC(C)(C)C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443808921 526413793 /nfs/dbraw/zinc/41/37/93/526413793.db2.gz JTNPXVJOEHDTMJ-INIZCTEOSA-N 1 0 324.465 2.095 10 0 DEAERO c1ccn2c(c1)nnc2C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000336858101 526521346 /nfs/dbraw/zinc/52/13/46/526521346.db2.gz XBCLUNYBXCIUCJ-AWEZNQCLSA-N 1 0 300.406 2.335 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000191952716 526898700 /nfs/dbraw/zinc/89/87/00/526898700.db2.gz RURCFKDGKACSDM-JTQLQIEISA-N 1 0 308.451 2.050 10 0 DEAERO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cscn1 ZINC000188962544 527074652 /nfs/dbraw/zinc/07/46/52/527074652.db2.gz QCVZVDNBQFTRCZ-MFKMUULPSA-N 1 0 323.368 2.297 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H](O)c2cc3ccccc3s2)C1 ZINC000237940583 527364926 /nfs/dbraw/zinc/36/49/26/527364926.db2.gz SRYISHFZKZSXAH-JHJVBQTASA-N 1 0 304.415 2.178 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](COC)C2CC2)CC1 ZINC000442296161 528092078 /nfs/dbraw/zinc/09/20/78/528092078.db2.gz SYISSRNYWIJZCL-INIZCTEOSA-N 1 0 311.470 2.175 10 0 DEAERO CCCCOC[C@H](O)C[N@H+](CC)C[C@@H]1COc2ccccc2O1 ZINC000195095073 528621095 /nfs/dbraw/zinc/62/10/95/528621095.db2.gz AIENHRJEQPEMLI-HZPDHXFCSA-N 1 0 323.433 2.326 10 0 DEAERO CC(C)(C)n1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)nn1 ZINC000191463773 534944935 /nfs/dbraw/zinc/94/49/35/534944935.db2.gz IVYDMRSAFCLSLQ-CQSZACIVSA-N 1 0 319.453 2.124 10 0 DEAERO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)CO ZINC000359671550 535095853 /nfs/dbraw/zinc/09/58/53/535095853.db2.gz SCYWTOYJHLAWKU-CYBMUJFWSA-N 1 0 302.212 2.013 10 0 DEAERO CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261782638 535100687 /nfs/dbraw/zinc/10/06/87/535100687.db2.gz NAOLMMYQPRJHKQ-KRWDZBQOSA-N 1 0 317.477 2.483 10 0 DEAERO CCCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246971869 535114592 /nfs/dbraw/zinc/11/45/92/535114592.db2.gz KJBYFLUUJYECNM-HUUCEWRRSA-N 1 0 306.454 2.294 10 0 DEAERO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000358089394 535243875 /nfs/dbraw/zinc/24/38/75/535243875.db2.gz HFEYNZDVFFKLFF-DZGCQCFKSA-N 1 0 321.469 2.217 10 0 DEAERO CC1(C)CN(C(=O)c2ccc(Cn3ccnc3)cc2)CC[C@@H]1[NH3+] ZINC000261996136 535347976 /nfs/dbraw/zinc/34/79/76/535347976.db2.gz NCMYEHUGFWPVJH-INIZCTEOSA-N 1 0 312.417 2.131 10 0 DEAERO CC1(C)CN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC[C@@H]1[NH3+] ZINC000262031440 535350903 /nfs/dbraw/zinc/35/09/03/535350903.db2.gz PLLWZRVZURTSLT-HNNXBMFYSA-N 1 0 315.417 2.235 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2F)C12CCOCC2 ZINC000249032346 535503509 /nfs/dbraw/zinc/50/35/09/535503509.db2.gz SRKUYBNPDBNVIZ-IXDOHACOSA-N 1 0 323.408 2.423 10 0 DEAERO CCO[C@H](C)c1ncc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000261950598 535567993 /nfs/dbraw/zinc/56/79/93/535567993.db2.gz KBGJIAAKBYICGA-ZYHUDNBSSA-N 1 0 311.451 2.440 10 0 DEAERO CCOCC[N@@H+]1CCN([C@@H](C)c2nc(CC)no2)C[C@@H]1CC ZINC000247018400 535606444 /nfs/dbraw/zinc/60/64/44/535606444.db2.gz COKSLAHMRBHTGH-KBPBESRZSA-N 1 0 310.442 2.126 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247223737 535645174 /nfs/dbraw/zinc/64/51/74/535645174.db2.gz YTUHVZFATBMZEQ-LZWOXQAQSA-N 1 0 306.454 2.349 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(C)cc(C(=O)OC)c2)C1 ZINC000457604522 535662539 /nfs/dbraw/zinc/66/25/39/535662539.db2.gz GSXPPYXHMUTCBS-MRXNPFEDSA-N 1 0 318.417 2.338 10 0 DEAERO CC[NH+]1CCN(CCC(=O)NCc2ccc(C3CC3)cc2)CC1 ZINC000191321918 535681306 /nfs/dbraw/zinc/68/13/06/535681306.db2.gz NAZLNSLSTJGNMM-UHFFFAOYSA-N 1 0 315.461 2.208 10 0 DEAERO CCOC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)C(C)C ZINC000248959474 535694934 /nfs/dbraw/zinc/69/49/34/535694934.db2.gz PESGNAGQMUAWQT-HRCADAONSA-N 1 0 313.486 2.419 10 0 DEAERO CCNC(=O)CC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000249397994 535789635 /nfs/dbraw/zinc/78/96/35/535789635.db2.gz BMIFDURBCUCIFD-ZNMIVQPWSA-N 1 0 324.465 2.487 10 0 DEAERO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000251712629 535819312 /nfs/dbraw/zinc/81/93/12/535819312.db2.gz JPUDSQHMEUKDHV-RBSFLKMASA-N 1 0 302.484 2.216 10 0 DEAERO CCc1onc(C)c1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000186236546 535938361 /nfs/dbraw/zinc/93/83/61/535938361.db2.gz ODVSQHXNZNEMSM-UHFFFAOYSA-N 1 0 305.422 2.493 10 0 DEAERO C[NH+](C)Cc1ccc(-c2noc([C@H]3CC(F)(F)CN3)n2)cc1 ZINC000261897854 535994190 /nfs/dbraw/zinc/99/41/90/535994190.db2.gz YHONQGJWKIIAMG-GFCCVEGCSA-N 1 0 308.332 2.468 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc([C@H](NC(=O)c2ccccc2)C(C)C)n1 ZINC000261907339 536350574 /nfs/dbraw/zinc/35/05/74/536350574.db2.gz ZEYZCPPSGFTMFP-SWLSCSKDSA-N 1 0 316.405 2.347 10 0 DEAERO C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000261817012 536399799 /nfs/dbraw/zinc/39/97/99/536399799.db2.gz UAUVXWOAQGPWND-ICCXJUOJSA-N 1 0 311.223 2.277 10 0 DEAERO COC(=O)c1cc2cc(CN3CC[N@@H+]4CCC[C@H]4C3)ccc2o1 ZINC000246983184 536590603 /nfs/dbraw/zinc/59/06/03/536590603.db2.gz SKXLNIMECAXXDE-HNNXBMFYSA-N 1 0 314.385 2.499 10 0 DEAERO COc1cc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc(OC)c1 ZINC000261783674 536761510 /nfs/dbraw/zinc/76/15/10/536761510.db2.gz UFPXSVRCRZCSFR-GOSISDBHSA-N 1 0 313.401 2.245 10 0 DEAERO COc1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])c(OC)c1 ZINC000262001917 536854273 /nfs/dbraw/zinc/85/42/73/536854273.db2.gz UOIDXRJRNFBQHF-IUODEOHRSA-N 1 0 306.406 2.037 10 0 DEAERO COc1ccc2c(c1NC(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000191333168 537022982 /nfs/dbraw/zinc/02/29/82/537022982.db2.gz FBTDHFXQRLFXAT-CQSZACIVSA-N 1 0 315.417 2.496 10 0 DEAERO COc1cccc(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248164299 537101531 /nfs/dbraw/zinc/10/15/31/537101531.db2.gz SSAWDRCNSIDMBT-DOTOQJQBSA-N 1 0 302.418 2.180 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000724109155 563496594 /nfs/dbraw/zinc/49/65/94/563496594.db2.gz FNAOGCHUOUCNIP-BZNIZROVSA-N 1 0 306.410 2.076 10 0 DEAERO COc1cc([C@H]2[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)ccc1O ZINC000536952609 563889770 /nfs/dbraw/zinc/88/97/70/563889770.db2.gz DLNXXEBQTYULFU-RISCZKNCSA-N 1 0 308.378 2.410 10 0 DEAERO C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(Cl)nc1Cl ZINC000235280925 625440017 /nfs/dbraw/zinc/44/00/17/625440017.db2.gz QOZYRIHGMZDQHU-PSASIEDQSA-N 1 0 302.205 2.474 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl ZINC000097896640 622886099 /nfs/dbraw/zinc/88/60/99/622886099.db2.gz BHRSIDJLGUDUMB-NSHDSACASA-N 1 0 320.817 2.242 10 0 DEAERO Cn1cnc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000309920810 625605851 /nfs/dbraw/zinc/60/58/51/625605851.db2.gz QPNWWIAKPSNGTQ-YTQUADARSA-N 1 0 310.445 2.420 10 0 DEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(Br)cs1 ZINC000757190353 623237523 /nfs/dbraw/zinc/23/75/23/623237523.db2.gz RFNXYBVBBMCRTL-IUCAKERBSA-N 1 0 304.209 2.377 10 0 DEAERO CC[N@@H+]1CCC[C@H](Nc2nc(Cl)c(C(=O)OC)s2)C1 ZINC000049231050 623790921 /nfs/dbraw/zinc/79/09/21/623790921.db2.gz LBOMCFVKARMVOS-QMMMGPOBSA-N 1 0 303.815 2.479 10 0 DEAERO CCOc1ccc(CCNC(=O)C[C@H]2CC[NH2+]C2)cc1OCC ZINC000174017846 625682144 /nfs/dbraw/zinc/68/21/44/625682144.db2.gz ZLBCVROTCNCPOC-OAHLLOKOSA-N 1 0 320.433 2.142 10 0 DEAERO O=C(/C=C\c1ccnc(Cl)c1)OCC[NH+]1CCSCC1 ZINC000255331551 624175756 /nfs/dbraw/zinc/17/57/56/624175756.db2.gz QJWYCMHBUAGXSP-UPHRSURJSA-N 1 0 312.822 2.340 10 0 DEAERO Cc1noc(NC(=O)CSCC[NH+](C(C)C)C(C)C)n1 ZINC000161009058 624198919 /nfs/dbraw/zinc/19/89/19/624198919.db2.gz UMDYJOLBVZUTGU-UHFFFAOYSA-N 1 0 300.428 2.169 10 0 DEAERO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255504707 624877370 /nfs/dbraw/zinc/87/73/70/624877370.db2.gz YSFRCRQKICMQIA-KLQCNHIUSA-N 1 0 314.426 2.431 10 0 DEAERO Cc1[nH]c2ccc(-c3noc([C@@]4(N)CC[N@@H+](C)C4)n3)cc2c1C ZINC000888078175 625057238 /nfs/dbraw/zinc/05/72/38/625057238.db2.gz UEJYMZDJBQLGNO-QGZVFWFLSA-N 1 0 311.389 2.324 10 0 DEAERO CC(C)c1ccoc1-c1noc(CN2CCCC[C@H]([NH3+])C2=O)n1 ZINC000888078433 625058935 /nfs/dbraw/zinc/05/89/35/625058935.db2.gz QQYSUGZWMBGUSH-LBPRGKRZSA-N 1 0 318.377 2.293 10 0 DEAERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000311963634 625061985 /nfs/dbraw/zinc/06/19/85/625061985.db2.gz LWFKBYIJDCYISD-JTVYLNILSA-N 1 0 300.811 2.062 10 0 DEAERO COc1cccc(N2CC[C@@H](CNC(=O)CCCCC[NH3+])C2)c1 ZINC000155621509 625063660 /nfs/dbraw/zinc/06/36/60/625063660.db2.gz NYBJBPOOYDXXOB-HNNXBMFYSA-N 1 0 319.449 2.157 10 0 DEAERO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(Br)c1 ZINC000052014540 625086803 /nfs/dbraw/zinc/08/68/03/625086803.db2.gz ZSTSEQGKSUPWLO-HZSPNIEDSA-N 1 0 314.223 2.376 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC(=O)OC1CCCCC1 ZINC000161523010 625110048 /nfs/dbraw/zinc/11/00/48/625110048.db2.gz CGDZLUKLBFBNNH-HUUCEWRRSA-N 1 0 310.438 2.276 10 0 DEAERO Cn1cc(C[NH2+]C2CCC3(CC2)OCCO3)c(C(F)(F)F)n1 ZINC000161691249 625152821 /nfs/dbraw/zinc/15/28/21/625152821.db2.gz VPKUJSRYLIIYQF-UHFFFAOYSA-N 1 0 319.327 2.214 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000327663983 625230942 /nfs/dbraw/zinc/23/09/42/625230942.db2.gz XSKXXADITZDTQV-CQSZACIVSA-N 1 0 320.524 2.066 10 0 DEAERO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC(Cc2ccccc2)CC1 ZINC000314133217 625754261 /nfs/dbraw/zinc/75/42/61/625754261.db2.gz RNOZTOORJQISCC-KRWDZBQOSA-N 1 0 322.474 2.023 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1nc(C(C)C)n(C)c1=S ZINC000177163951 625868646 /nfs/dbraw/zinc/86/86/46/625868646.db2.gz TVYKUKSAULBPDS-ZDUSSCGKSA-N 1 0 311.499 2.448 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000299982328 633302228 /nfs/dbraw/zinc/30/22/28/633302228.db2.gz BEIOMPPCMQTMQA-SOUVJXGZSA-N 1 0 311.470 2.316 10 0 DEAERO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2COc3ccccc32)C1 ZINC000332703886 633361125 /nfs/dbraw/zinc/36/11/25/633361125.db2.gz FSYVNDQZWIGTBE-ZFWWWQNUSA-N 1 0 303.406 2.151 10 0 DEAERO CC1(C)COC[C@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000313017411 633433259 /nfs/dbraw/zinc/43/32/59/633433259.db2.gz IFVVEYGEQDLVKF-QWHCGFSZSA-N 1 0 314.223 2.497 10 0 DEAERO C[C@@H](C1CC1)[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000074766984 633813134 /nfs/dbraw/zinc/81/31/34/633813134.db2.gz ZEADVHOFPIFVPA-ZDUSSCGKSA-N 1 0 306.381 2.147 10 0 DEAERO Cc1cc(NC(=O)c2cc(Cl)nc(N(C)C)c2)c(C)cn1 ZINC000747111206 636408416 /nfs/dbraw/zinc/40/84/16/636408416.db2.gz GORRVGFDPJXJFQ-UHFFFAOYSA-N 1 0 304.781 2.487 10 0 DEAERO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)c1ccccc1 ZINC000261925656 636767791 /nfs/dbraw/zinc/76/77/91/636767791.db2.gz LAYJDHCWZNVYTB-ZJPYXAASSA-N 1 0 304.434 2.121 10 0 DEAERO CN(Cc1ccsc1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000228894763 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C[NH+](C)CCn1cc(NC(=O)NCCSC(C)(C)C)cn1 ZINC000747557491 638450423 /nfs/dbraw/zinc/45/04/23/638450423.db2.gz WQAQSYCWEJXPNY-UHFFFAOYSA-N 1 0 313.471 2.098 10 0 DEAERO COC(=O)/C(C)=C\C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000748814277 638593198 /nfs/dbraw/zinc/59/31/98/638593198.db2.gz YHILUELPHIKENB-BASWHVEKSA-N 1 0 322.430 2.062 10 0 DEAERO COC[C@](C)(CO)[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000749287148 638632905 /nfs/dbraw/zinc/63/29/05/638632905.db2.gz CUTOQHIGGHFHCI-HNNXBMFYSA-N 1 0 309.435 2.104 10 0 DEAERO C[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)c1ccncc1 ZINC000749566017 638661043 /nfs/dbraw/zinc/66/10/43/638661043.db2.gz VINSQSFMENOVAQ-LSDHHAIUSA-N 1 0 304.438 2.359 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NC2CCC(C)(O)CC2)CC1 ZINC000749605467 638665153 /nfs/dbraw/zinc/66/51/53/638665153.db2.gz OXMYYRWXEUDBLY-UHFFFAOYSA-N 1 0 311.470 2.101 10 0 DEAERO COCCNC(=S)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728444578 639188121 /nfs/dbraw/zinc/18/81/21/639188121.db2.gz ABBWRDFAQLNUSU-HNNXBMFYSA-N 1 0 313.511 2.095 10 0 DEAERO C[C@H]1C[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)CCN1C ZINC000751572817 639439381 /nfs/dbraw/zinc/43/93/81/639439381.db2.gz CKSSGMAJVQOFHP-GXTWGEPZSA-N 1 0 316.367 2.245 10 0 DEAERO COc1cc(Br)c(C[NH2+][C@H](C)[C@H](C)O)cc1OC ZINC000342236585 639498311 /nfs/dbraw/zinc/49/83/11/639498311.db2.gz VUAHKVFYYBHIOT-BDAKNGLRSA-N 1 0 318.211 2.325 10 0 DEAERO Cc1nc2c(nccc2C(=O)NCC[C@H](C)[NH+]2CCCCC2)[nH]1 ZINC000436095924 643048360 /nfs/dbraw/zinc/04/83/60/643048360.db2.gz CNUYTSJKGDPGTE-LBPRGKRZSA-N 1 0 315.421 2.261 10 0 DEAERO CCC[C@H](C(=O)N[C@@H](C)CC(=O)OCc1ccccc1)[NH+](C)C ZINC000121528105 650907110 /nfs/dbraw/zinc/90/71/10/650907110.db2.gz GTKCIPUAUAQYRH-GOEBONIOSA-N 1 0 320.433 2.355 10 0 DEAERO CCOc1cccc(CC(=O)OCCC[NH+]2CCCCC2)n1 ZINC000800224278 645243120 /nfs/dbraw/zinc/24/31/20/645243120.db2.gz DSFCLYXFUIXMPB-UHFFFAOYSA-N 1 0 306.406 2.442 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800738096 645300906 /nfs/dbraw/zinc/30/09/06/645300906.db2.gz RRFJNSIFURDSLX-OAHLLOKOSA-N 1 0 309.841 2.400 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000803029702 645597669 /nfs/dbraw/zinc/59/76/69/645597669.db2.gz CYUGOPOYABPKMH-ZDUSSCGKSA-N 1 0 318.339 2.149 10 0 DEAERO CCOc1cccc(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000804565085 645791539 /nfs/dbraw/zinc/79/15/39/645791539.db2.gz XJCRUVCCVFAKDN-XYPWUTKMSA-N 1 0 317.433 2.106 10 0 DEAERO CSCCC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000151177737 646287138 /nfs/dbraw/zinc/28/71/38/646287138.db2.gz SNDQEMBHDSPTPW-AWEZNQCLSA-N 1 0 322.430 2.287 10 0 DEAERO CCN1CCC[C@@H]([NH2+]Cc2cc(OC)ccc2OCOC)C1 ZINC000164088181 646413901 /nfs/dbraw/zinc/41/39/01/646413901.db2.gz MOWZSVCRJVZCLG-OAHLLOKOSA-N 1 0 308.422 2.252 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)OCCCC(C)=O)cc2)CC1 ZINC000157892467 646577892 /nfs/dbraw/zinc/57/78/92/646577892.db2.gz LYLSVEUOJFCIBA-UHFFFAOYSA-N 1 0 318.417 2.355 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)[C@H](C)CO ZINC000228722931 646640393 /nfs/dbraw/zinc/64/03/93/646640393.db2.gz JALFHORQDGPGNQ-GIPNMCIBSA-N 1 0 302.212 2.089 10 0 DEAERO [NH3+]CCCc1cn(Cc2cccc(F)c2Br)nn1 ZINC000229837583 646704295 /nfs/dbraw/zinc/70/42/95/646704295.db2.gz CFVBCFWMTPKSDJ-UHFFFAOYSA-N 1 0 313.174 2.119 10 0 DEAERO C[C@@H]([NH2+]CC1CC(O)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000229839256 646704495 /nfs/dbraw/zinc/70/44/95/646704495.db2.gz FCIZEJWLELMAGB-FEWQNLEASA-N 1 0 312.454 2.383 10 0 DEAERO C[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)O ZINC000230195911 646722809 /nfs/dbraw/zinc/72/28/09/646722809.db2.gz KQMXWMIVLGMLLE-GFCCVEGCSA-N 1 0 300.443 2.383 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000173886367 646782239 /nfs/dbraw/zinc/78/22/39/646782239.db2.gz RLXDRJFAKYKGCQ-MVHLYKQMSA-N 1 0 308.447 2.305 10 0 DEAERO COCCCC[N@@H+](Cc1ccccc1)CN1CCOC1=S ZINC000064028974 646812327 /nfs/dbraw/zinc/81/23/27/646812327.db2.gz OYNQOQXFYAIDBJ-UHFFFAOYSA-N 1 0 308.447 2.490 10 0 DEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000090102932 646925471 /nfs/dbraw/zinc/92/54/71/646925471.db2.gz QBRWUNGRMZLIHM-KGLIPLIRSA-N 1 0 305.484 2.242 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nc(C(C)(C)C)[nH]c1=S ZINC000153230689 647393730 /nfs/dbraw/zinc/39/37/30/647393730.db2.gz VUWILSHDSQBDQI-NWDGAFQWSA-N 1 0 309.483 2.364 10 0 DEAERO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(Cl)nc(N(C)C)c2)C1 ZINC000733130884 647889646 /nfs/dbraw/zinc/88/96/46/647889646.db2.gz UCCQRRIQDCSXDA-GFCCVEGCSA-N 1 0 324.856 2.263 10 0 DEAERO C[C@@H](CNC(=O)c1cc(Cl)nc(N(C)C)c1)[N@H+](C)C1CC1 ZINC000733146853 647892587 /nfs/dbraw/zinc/89/25/87/647892587.db2.gz PQXAFNJERAVOKM-JTQLQIEISA-N 1 0 310.829 2.014 10 0 DEAERO [NH3+]CCCCCC(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000154791769 648100029 /nfs/dbraw/zinc/10/00/29/648100029.db2.gz DDALWMKTSOZAOJ-UHFFFAOYSA-N 1 0 323.481 2.193 10 0 DEAERO C[Si](C)(C)C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000175074818 648331804 /nfs/dbraw/zinc/33/18/04/648331804.db2.gz IPHAUJZAEJFKSI-UHFFFAOYSA-N 1 0 302.445 2.273 10 0 DEAERO [NH3+][C@@H](CNC(=O)c1ncoc1-c1ccccc1Cl)C1CC1 ZINC000238032612 648467580 /nfs/dbraw/zinc/46/75/80/648467580.db2.gz JLSHFJMWCLQDAX-LBPRGKRZSA-N 1 0 305.765 2.462 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1nc(C(F)F)n(C)c1=S ZINC000181384528 648640837 /nfs/dbraw/zinc/64/08/37/648640837.db2.gz KDLMXGCDHUJPOZ-SNVBAGLBSA-N 1 0 319.425 2.262 10 0 DEAERO C[NH2+]CCC1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000070189561 648866987 /nfs/dbraw/zinc/86/69/87/648866987.db2.gz VZENYLUBYZHCGT-GXDHUFHOSA-N 1 0 308.447 2.309 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184114488 649237636 /nfs/dbraw/zinc/23/76/36/649237636.db2.gz FKGGIDBTIMDTKD-SFHVURJKSA-N 1 0 319.445 2.466 10 0 DEAERO C[C@H]([NH3+])C1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000111612626 652607474 /nfs/dbraw/zinc/60/74/74/652607474.db2.gz LHQXCLLQMHLQGB-JTQLQIEISA-N 1 0 318.389 2.247 10 0 DEAERO CO[C@@H]1CCC[C@@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000383518191 685407640 /nfs/dbraw/zinc/40/76/40/685407640.db2.gz MVJTUJSSOMDDBK-VXGBXAGGSA-N 1 0 302.216 2.193 10 0 DEAERO CC(C)C[C@H](CNCc1nc(Br)c[nH]1)[NH+](C)C ZINC000383342955 685407670 /nfs/dbraw/zinc/40/76/70/685407670.db2.gz XYQCWLZSOFVIBA-SNVBAGLBSA-N 1 0 303.248 2.238 10 0 DEAERO Brc1c[nH]c(CNCCC[NH+]2CCCCC2)n1 ZINC000383234573 685407677 /nfs/dbraw/zinc/40/76/77/685407677.db2.gz CLLNXXSXPFDWOE-UHFFFAOYSA-N 1 0 301.232 2.138 10 0 DEAERO CCC[C@@H]([NH3+])c1cn(Cc2ncccc2Br)nn1 ZINC000394073987 685455349 /nfs/dbraw/zinc/45/53/49/685455349.db2.gz WXBFJTUSEMNWQQ-SNVBAGLBSA-N 1 0 310.199 2.284 10 0 DEAERO COC[C@@]1(C[NH2+]C2CSC2)CCCN1C(=O)OC(C)(C)C ZINC000396437245 685461690 /nfs/dbraw/zinc/46/16/90/685461690.db2.gz ABNSEUUQIMSWKM-HNNXBMFYSA-N 1 0 316.467 2.108 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@@H]2COc3ccccc32)C1 ZINC000077957356 683958173 /nfs/dbraw/zinc/95/81/73/683958173.db2.gz QCMSMLACRHDFKD-GDBMZVCRSA-N 1 0 319.401 2.063 10 0 DEAERO O=C(NCC[NH+]1CCCCC1)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000083018761 683996117 /nfs/dbraw/zinc/99/61/17/683996117.db2.gz OPSPMPPIGYUQDL-DLBZAZTESA-N 1 0 317.433 2.302 10 0 DEAERO Fc1ccc(SCc2noc(C[C@H]3C[NH2+]CCO3)n2)cc1 ZINC000091295216 684036130 /nfs/dbraw/zinc/03/61/30/684036130.db2.gz JEKPFMOEHSYOHI-NSHDSACASA-N 1 0 309.366 2.032 10 0 DEAERO C[N@H+](C[C@@H](O)COCc1ccccc1)CC1(O)CCCCC1 ZINC000116402240 684064614 /nfs/dbraw/zinc/06/46/14/684064614.db2.gz RSPURLKYYJNOGC-QGZVFWFLSA-N 1 0 307.434 2.191 10 0 DEAERO C[C@H]1[C@H](c2ccccc2)CCN1Cn1nc(CO)n(C)c1=S ZINC000120575158 684097871 /nfs/dbraw/zinc/09/78/71/684097871.db2.gz VXHHOPJCIPSQTD-GXTWGEPZSA-N 1 0 318.446 2.279 10 0 DEAERO CCOC(C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1)OCC ZINC000124030159 684131153 /nfs/dbraw/zinc/13/11/53/684131153.db2.gz RWNOWOVYBBIXNM-CQSZACIVSA-N 1 0 314.470 2.258 10 0 DEAERO CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000128070302 684168241 /nfs/dbraw/zinc/16/82/41/684168241.db2.gz NREFDKKUXMDLBN-LLVKDONJSA-N 1 0 323.824 2.416 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000129509245 684179601 /nfs/dbraw/zinc/17/96/01/684179601.db2.gz OSQWDBJHPUGKMD-NOZJJQNGSA-N 1 0 317.216 2.143 10 0 DEAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187809249 684343841 /nfs/dbraw/zinc/34/38/41/684343841.db2.gz SSGVVLNRMPGQRY-ZIAGYGMSSA-N 1 0 302.484 2.072 10 0 DEAERO CC(C)Cc1ccc([C@H](C)[NH2+]CC2CN(S(C)(=O)=O)C2)cc1 ZINC000187820463 684343979 /nfs/dbraw/zinc/34/39/79/684343979.db2.gz KZMQYJHSHLGMHY-AWEZNQCLSA-N 1 0 324.490 2.427 10 0 DEAERO C[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc2c(c1)CCCC2 ZINC000187831472 684344005 /nfs/dbraw/zinc/34/40/05/684344005.db2.gz FBEUKSXHLQJGNQ-ZDUSSCGKSA-N 1 0 322.474 2.107 10 0 DEAERO CC[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1cccc(Cl)c1 ZINC000187810871 684344279 /nfs/dbraw/zinc/34/42/79/684344279.db2.gz CDXNZZMNGSBDFJ-CQSZACIVSA-N 1 0 316.854 2.272 10 0 DEAERO Cn1cc([C@H]2CCN(CN3C[C@@H](CC(C)(C)C)CC3=O)C2)cn1 ZINC000189135326 684373642 /nfs/dbraw/zinc/37/36/42/684373642.db2.gz ZQLFSMYCCWIYTC-CABCVRRESA-N 1 0 318.465 2.452 10 0 DEAERO CC1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)OCCCO1 ZINC000190667090 684411542 /nfs/dbraw/zinc/41/15/42/684411542.db2.gz KDYSRBDBEFGALX-UHFFFAOYSA-N 1 0 310.360 2.146 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCc3ccccc32)C1 ZINC000195089849 685086507 /nfs/dbraw/zinc/08/65/07/685086507.db2.gz ZALLULBHQJNPJD-GDBMZVCRSA-N 1 0 301.434 2.038 10 0 DEAERO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1COc2ccccc21 ZINC000195198321 685090672 /nfs/dbraw/zinc/09/06/72/685090672.db2.gz ZEONFPKQASLLIR-OAHLLOKOSA-N 1 0 305.422 2.349 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000245426618 685111212 /nfs/dbraw/zinc/11/12/12/685111212.db2.gz GFZPYCVKWPFGFV-DOTOQJQBSA-N 1 0 315.417 2.122 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)CC[C@H]2CCCCO2)C1 ZINC000246167280 685124876 /nfs/dbraw/zinc/12/48/76/685124876.db2.gz PDPZUSCYTFXKSQ-CVEARBPZSA-N 1 0 313.438 2.236 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(N)nc(Cl)c2)[C@@H](C)C1 ZINC000247152178 685143898 /nfs/dbraw/zinc/14/38/98/685143898.db2.gz ADRUTICHQXKRGX-JQWIXIFHSA-N 1 0 310.829 2.120 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCCCCCC2)C[C@@H]1C ZINC000247663840 685152157 /nfs/dbraw/zinc/15/21/57/685152157.db2.gz YINRZNLERQRHAI-GJZGRUSLSA-N 1 0 311.470 2.196 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CN1C[C@H](CC(C)(C)C)CC1=O ZINC000248946986 685171197 /nfs/dbraw/zinc/17/11/97/685171197.db2.gz DPBYRWKUWYCCHK-PMPSAXMXSA-N 1 0 307.482 2.397 10 0 DEAERO CCOCc1nc(Cl)cc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000252876038 685194501 /nfs/dbraw/zinc/19/45/01/685194501.db2.gz QSFXZDOHXMHKAV-NEPJUHHUSA-N 1 0 310.829 2.339 10 0 DEAERO Cc1noc([C@@H]2CC[C@H](C[NH2+]Cc3cn(C(C)C)nc3C)O2)n1 ZINC000281390918 685217120 /nfs/dbraw/zinc/21/71/20/685217120.db2.gz PAJINTJPCOCISP-CABCVRRESA-N 1 0 319.409 2.474 10 0 DEAERO Cc1noc(C)c1C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cncn1C ZINC000886043466 691990939 /nfs/dbraw/zinc/99/09/39/691990939.db2.gz LQUMQVAKNMNLAK-WMLDXEAASA-N 1 0 317.437 2.198 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNc1cc[nH+]c(C)c1 ZINC000886079867 691998611 /nfs/dbraw/zinc/99/86/11/691998611.db2.gz KJUSMCUUVGUUKK-PBHICJAKSA-N 1 0 300.406 2.352 10 0 DEAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)Cc2nc(C)c(C)o2)C1 ZINC000886082503 692000327 /nfs/dbraw/zinc/00/03/27/692000327.db2.gz INTRRNOGBAPFPQ-OAGGEKHMSA-N 1 0 307.438 2.365 10 0 DEAERO COc1cc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)sn1 ZINC000399118749 790319986 /nfs/dbraw/zinc/31/99/86/790319986.db2.gz KPNRAALGTWYOSC-WAYWQWQTSA-N 1 0 313.423 2.322 10 0 DEAERO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CCCC12CCC2 ZINC000444775775 783094139 /nfs/dbraw/zinc/09/41/39/783094139.db2.gz NXCFJKLQBSDYGE-AWEZNQCLSA-N 1 0 321.417 2.462 10 0 DEAERO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CCCC12CCC2 ZINC000444775776 783094596 /nfs/dbraw/zinc/09/45/96/783094596.db2.gz NXCFJKLQBSDYGE-CQSZACIVSA-N 1 0 321.417 2.462 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000722593795 776536963 /nfs/dbraw/zinc/53/69/63/776536963.db2.gz JUWJTCXJANAKBA-NWDGAFQWSA-N 1 0 302.465 2.222 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC000722595054 776540662 /nfs/dbraw/zinc/54/06/62/776540662.db2.gz FVOZZKLSULLYGB-AWEZNQCLSA-N 1 0 314.476 2.047 10 0 DEAERO CN1C[C@@H](CC[NH2+]Cc2ccc(Br)s2)CC1=O ZINC000723552658 777121670 /nfs/dbraw/zinc/12/16/70/777121670.db2.gz NATLEDFWDBMNKQ-VIFPVBQESA-N 1 0 317.252 2.469 10 0 DEAERO CC(C)(C[NH2+][C@@H]1CCOC2(CCCC2)C1)CS(C)(=O)=O ZINC000723851336 777188259 /nfs/dbraw/zinc/18/82/59/777188259.db2.gz WRXKMMIEQDEFSL-CYBMUJFWSA-N 1 0 303.468 2.139 10 0 DEAERO C[C@H](Cc1cccc(F)c1)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723878947 777198241 /nfs/dbraw/zinc/19/82/41/777198241.db2.gz HHTHUEGWBMEWEN-GFCCVEGCSA-N 1 0 301.427 2.417 10 0 DEAERO CCN(CC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1CC1 ZINC000724036282 777225719 /nfs/dbraw/zinc/22/57/19/777225719.db2.gz LPBCOUIQAXEUHY-JTQLQIEISA-N 1 0 304.303 2.009 10 0 DEAERO C[C@](O)(C[NH2+]C[C@@H]1CCCC[C@H]1O)C(F)(F)C(F)(F)F ZINC000724040170 777226510 /nfs/dbraw/zinc/22/65/10/777226510.db2.gz GEJXFRUFZNCHLJ-AEJSXWLSSA-N 1 0 305.287 2.076 10 0 DEAERO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724042909 777229311 /nfs/dbraw/zinc/22/93/11/777229311.db2.gz SNFNXSYXOVUXOM-IVZWLZJFSA-N 1 0 305.287 2.170 10 0 DEAERO C[C@](O)(C[N@@H+]1CC[C@@]2(CCOC2)C1)C(F)(F)C(F)(F)F ZINC000724109854 777242690 /nfs/dbraw/zinc/24/26/90/777242690.db2.gz PQPRKSLQWITOLJ-VHSXEESVSA-N 1 0 303.271 2.047 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000724966759 777546695 /nfs/dbraw/zinc/54/66/95/777546695.db2.gz RGCDTVPGUFNFHH-RQJABVFESA-N 1 0 310.438 2.399 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000725080742 777581521 /nfs/dbraw/zinc/58/15/21/777581521.db2.gz OAAKAMRNAOGNGY-CQSZACIVSA-N 1 0 314.476 2.129 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000725118624 777589171 /nfs/dbraw/zinc/58/91/71/777589171.db2.gz GGZRBKGTTZYZFN-LBPRGKRZSA-N 1 0 314.476 2.318 10 0 DEAERO O[C@@H](C[NH2+]CC1=CCOCC1)c1cccc(Br)c1 ZINC000397716091 778393153 /nfs/dbraw/zinc/39/31/53/778393153.db2.gz SJZOQHOSRQROLR-AWEZNQCLSA-N 1 0 312.207 2.419 10 0 DEAERO CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000722500914 778743204 /nfs/dbraw/zinc/74/32/04/778743204.db2.gz FREHXODLFKEGEV-KGLIPLIRSA-N 1 0 324.425 2.048 10 0 DEAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000722503468 778744735 /nfs/dbraw/zinc/74/47/35/778744735.db2.gz UWAWDMGSDUCDDY-OCCSQVGLSA-N 1 0 322.405 2.464 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000722571083 778790673 /nfs/dbraw/zinc/79/06/73/778790673.db2.gz QTMHNNZFJJJZSE-BXKDBHETSA-N 1 0 302.465 2.031 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)c1C ZINC000722571463 778791344 /nfs/dbraw/zinc/79/13/44/778791344.db2.gz UGEVLMSUIOGPIA-NSHDSACASA-N 1 0 304.481 2.325 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2cncnc2)C(C)(C)C1 ZINC000721845498 780287007 /nfs/dbraw/zinc/28/70/07/780287007.db2.gz GHIDPHQLNIVQBI-CYBMUJFWSA-N 1 0 306.410 2.212 10 0 DEAERO Cc1cnn(C)c1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721856975 780391538 /nfs/dbraw/zinc/39/15/38/780391538.db2.gz XASQAOBDFNFIIE-CQSZACIVSA-N 1 0 322.453 2.464 10 0 DEAERO CO[C@]1(C[NH2+][C@@H](C)c2cccc(Cl)c2)CCS(=O)(=O)C1 ZINC000721261835 781074542 /nfs/dbraw/zinc/07/45/42/781074542.db2.gz SIDDKWWAUAJCFG-FZMZJTMJSA-N 1 0 317.838 2.194 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000439781425 781809120 /nfs/dbraw/zinc/80/91/20/781809120.db2.gz MEWPNUKONKBJAR-UONOGXRCSA-N 1 0 319.453 2.179 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1nccn1C ZINC000721853571 787324090 /nfs/dbraw/zinc/32/40/90/787324090.db2.gz APHKILNEXDLQAN-JHJVBQTASA-N 1 0 308.426 2.326 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1C ZINC000722563702 787331892 /nfs/dbraw/zinc/33/18/92/787331892.db2.gz AVESXXMJBLYCPO-PELKAZGASA-N 1 0 302.465 2.092 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c1C ZINC000722600229 787334700 /nfs/dbraw/zinc/33/47/00/787334700.db2.gz KWNFQKNNFAJWBP-ZDUSSCGKSA-N 1 0 316.492 2.423 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@](C)(O)C1CC1 ZINC000722637416 787335560 /nfs/dbraw/zinc/33/55/60/787335560.db2.gz KOPQFSRIJSIZPF-LJHODMEESA-N 1 0 316.445 2.032 10 0 DEAERO O=C(C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)NCc1ccccc1 ZINC000723966111 787345981 /nfs/dbraw/zinc/34/59/81/787345981.db2.gz SMXRQEOURJGRSI-WMZOPIPTSA-N 1 0 302.418 2.098 10 0 DEAERO C[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1(O)CCCC1 ZINC000724043856 787347729 /nfs/dbraw/zinc/34/77/29/787347729.db2.gz XDZLMRLOMOYFKG-SECBINFHSA-N 1 0 305.287 2.172 10 0 DEAERO C[N@H+](CCOCC1CC1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724112639 787350038 /nfs/dbraw/zinc/35/00/38/787350038.db2.gz VQOOQFWNCYHWTO-JTQLQIEISA-N 1 0 305.287 2.293 10 0 DEAERO CCO[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC000724316401 787350855 /nfs/dbraw/zinc/35/08/55/787350855.db2.gz IQEKWGZMCIQIBO-AILVEWFUSA-N 1 0 301.452 2.032 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000724295516 787351170 /nfs/dbraw/zinc/35/11/70/787351170.db2.gz JMRTUHXZGXMEAK-MROQNXINSA-N 1 0 300.399 2.083 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNCc1cn(C)nc1Br ZINC000712492180 792190474 /nfs/dbraw/zinc/19/04/74/792190474.db2.gz VHFHFTZBORBIDS-SNVBAGLBSA-N 1 0 303.248 2.003 10 0 DEAERO Cn1cc(CN(CC[NH3+])Cc2ccccc2)c(Br)n1 ZINC000712418669 792187770 /nfs/dbraw/zinc/18/77/70/792187770.db2.gz BMVVBKWVBRDKIF-UHFFFAOYSA-N 1 0 323.238 2.144 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNCc1cn(C)nc1Br ZINC000712492178 792190628 /nfs/dbraw/zinc/19/06/28/792190628.db2.gz VHFHFTZBORBIDS-JTQLQIEISA-N 1 0 303.248 2.003 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NCc1cn(C)nc1Br ZINC000712463561 792190692 /nfs/dbraw/zinc/19/06/92/792190692.db2.gz RWXUIYHDRQVJFK-NSHDSACASA-N 1 0 315.259 2.147 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c(Cl)c1 ZINC000712513348 792191717 /nfs/dbraw/zinc/19/17/17/792191717.db2.gz IWDKZCFFAOGBOY-UHFFFAOYSA-N 1 0 316.854 2.411 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]CCC1(C)C ZINC000712516467 792192534 /nfs/dbraw/zinc/19/25/34/792192534.db2.gz YXAGJSRPCNUCOZ-UHFFFAOYSA-N 1 0 316.854 2.411 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000712597648 792192738 /nfs/dbraw/zinc/19/27/38/792192738.db2.gz ZDLXEFYQCORFPN-JONQDZQNSA-N 1 0 323.481 2.458 10 0 DEAERO CN(Cc1ccccc1)C(=O)CN(C)C1(C[NH3+])CCCCC1 ZINC000713359083 792212321 /nfs/dbraw/zinc/21/23/21/792212321.db2.gz BVJNYKZJTFGPKF-UHFFFAOYSA-N 1 0 303.450 2.238 10 0 DEAERO CCn1cnnc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000713299347 792219235 /nfs/dbraw/zinc/21/92/35/792219235.db2.gz BSMIHOWCVOMRFV-DZGCQCFKSA-N 1 0 313.405 2.005 10 0 DEAERO [NH3+]C[C@H]1C[C@@H](C(=O)Nc2ccccc2SC(F)F)CO1 ZINC000713906137 792248620 /nfs/dbraw/zinc/24/86/20/792248620.db2.gz PTZYQSPTWPNAKK-RKDXNWHRSA-N 1 0 302.346 2.304 10 0 DEAERO [NH3+]C[C@@H]1C[C@H](c2nc(-c3ccccc3Br)no2)CO1 ZINC000714084029 792285034 /nfs/dbraw/zinc/28/50/34/792285034.db2.gz DLAINXPEDWCTQU-IUCAKERBSA-N 1 0 324.178 2.330 10 0 DEAERO [NH3+]C1CC(CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000715110574 792382851 /nfs/dbraw/zinc/38/28/51/792382851.db2.gz RRODFVBRIFARQA-UHFFFAOYSA-N 1 0 309.218 2.009 10 0 DEAERO CCOCCCNC(=S)NC1CCC(C)([NH+](C)C)CC1 ZINC000715499902 792470106 /nfs/dbraw/zinc/47/01/06/792470106.db2.gz CLVNOGAZZFDFDH-UHFFFAOYSA-N 1 0 301.500 2.140 10 0 DEAERO Cc1ccc(C(=O)NC23CC[NH+](CC2)C3)c(Br)c1 ZINC000715501653 792470222 /nfs/dbraw/zinc/47/02/22/792470222.db2.gz NMDIDDQMQARTLF-UHFFFAOYSA-N 1 0 309.207 2.336 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)c1cn(C)nn1 ZINC000715841127 792513438 /nfs/dbraw/zinc/51/34/38/792513438.db2.gz ZDNYACMKGLTBBU-FRRDWIJNSA-N 1 0 323.441 2.111 10 0 DEAERO CC[C@@H]1[C@@H]([NH2+][C@@H](C)c2cn(C)nn2)CCN1C(=O)OC(C)(C)C ZINC000715847603 792525574 /nfs/dbraw/zinc/52/55/74/792525574.db2.gz ZXAXSJAZLJDKMN-SGMGOOAPSA-N 1 0 323.441 2.254 10 0 DEAERO COC[C@H](O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620178 792978743 /nfs/dbraw/zinc/97/87/43/792978743.db2.gz LNHVSFNVXGAUHL-CADBVGFASA-N 1 0 318.461 2.027 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](O)C(F)F ZINC000716751130 793004487 /nfs/dbraw/zinc/00/44/87/793004487.db2.gz DMKRYZQCFFOZOQ-QJPTWQEYSA-N 1 0 322.396 2.286 10 0 DEAERO NC(=O)C1CC([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000716755197 793005145 /nfs/dbraw/zinc/00/51/45/793005145.db2.gz LNHZPUVFUXRKMM-QEIKUCIBSA-N 1 0 309.207 2.290 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+][C@H]2CCOC2)C1 ZINC000717149712 799256592 /nfs/dbraw/zinc/25/65/92/799256592.db2.gz CDKSGPYEHORQBA-RYUDHWBXSA-N 1 0 320.380 2.257 10 0 DEAERO CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401795201 801852678 /nfs/dbraw/zinc/85/26/78/801852678.db2.gz DZPRMBAIVHVLIW-QLFBSQMISA-N 1 0 314.470 2.486 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCc2cnccn2)CN(C(=O)OC(C)(C)C)C1 ZINC000401861630 801856182 /nfs/dbraw/zinc/85/61/82/801856182.db2.gz YAMMBUDRSWPMLF-DZGCQCFKSA-N 1 0 320.437 2.254 10 0 DEAERO O[C@]1(CC[NH2+]Cc2cscc2Br)CCOC1 ZINC000404219484 802009627 /nfs/dbraw/zinc/00/96/27/802009627.db2.gz RHUPUPZLDPFWSI-LLVKDONJSA-N 1 0 306.225 2.142 10 0 DEAERO Cn1cnc(C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)c1 ZINC000404669597 802027182 /nfs/dbraw/zinc/02/71/82/802027182.db2.gz VKCXUEBEIDYMFK-KGLIPLIRSA-N 1 0 320.437 2.346 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC(C)(C)CO)C12CCC2 ZINC000404736891 802028754 /nfs/dbraw/zinc/02/87/54/802028754.db2.gz FVJRDJFDPQBXSI-CHWSQXEVSA-N 1 0 312.454 2.430 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1 ZINC000404763008 802029534 /nfs/dbraw/zinc/02/95/34/802029534.db2.gz KESXXIFKWSYVDU-ZIAGYGMSSA-N 1 0 322.453 2.473 10 0 DEAERO c1csc(-c2n[nH]cc2C[NH2+]CCOC[C@@H]2CCOC2)c1 ZINC000068992490 1079945466 /nfs/dbraw/zinc/94/54/66/1079945466.db2.gz STABUIOPICENQR-GFCCVEGCSA-N 1 0 307.419 2.281 10 0 DEAERO NC(=O)C1([NH2+]Cc2cc(Br)cs2)CCCC1 ZINC000081100104 1081042092 /nfs/dbraw/zinc/04/20/92/1081042092.db2.gz ONAYAKLQOUTABN-UHFFFAOYSA-N 1 0 303.225 2.398 10 0 DEAERO C[C@@H](NS(=O)(=O)CCC(C)(C)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000717980858 1081854503 /nfs/dbraw/zinc/85/45/03/1081854503.db2.gz BETCKNOJLDGILP-OLZOCXBDSA-N 1 0 302.484 2.120 10 0 DEAERO CC(C)(CCS(=O)(=O)N1CCC[C@@H](CC[NH3+])C1)C1CC1 ZINC000717984990 1081856030 /nfs/dbraw/zinc/85/60/30/1081856030.db2.gz UTWWCBJIJUAOAA-ZDUSSCGKSA-N 1 0 302.484 2.203 10 0 DEAERO C[C@H]1C[C@@H]1C[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000721939224 1084715452 /nfs/dbraw/zinc/71/54/52/1084715452.db2.gz BNBXUMVDAZOHLB-UONOGXRCSA-N 1 0 311.470 2.221 10 0 DEAERO CC1(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC(F)(F)C1 ZINC000720505326 1085257992 /nfs/dbraw/zinc/25/79/92/1085257992.db2.gz JFZYTWFCPLTHGK-YUMQZZPRSA-N 1 0 300.271 2.017 10 0 DEAERO CC[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2Br)CCO1 ZINC000720644801 1085809284 /nfs/dbraw/zinc/80/92/84/1085809284.db2.gz GJQCRVRUQBPIJT-QWRGUYRKSA-N 1 0 302.216 2.230 10 0 DEAERO C[C@@H](O)CC[NH2+][C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000720750403 1086071338 /nfs/dbraw/zinc/07/13/38/1086071338.db2.gz LBCDQAJGRDCXFB-ZBFHGGJFSA-N 1 0 306.406 2.148 10 0 DEAERO Cc1nc(CN2C[C@H]([NH3+])C(C)(C)C2)sc1Br ZINC000720760900 1086129510 /nfs/dbraw/zinc/12/95/10/1086129510.db2.gz WBOBSDPLCNMYHJ-QMMMGPOBSA-N 1 0 304.257 2.383 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Br)c[nH]1 ZINC000720816620 1086168050 /nfs/dbraw/zinc/16/80/50/1086168050.db2.gz OPWKYQCOMZFUGS-VXGBXAGGSA-N 1 0 312.211 2.086 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Br)nc1 ZINC000720831668 1086195130 /nfs/dbraw/zinc/19/51/30/1086195130.db2.gz WMBJZICQTOLZGB-VXGBXAGGSA-N 1 0 324.222 2.153 10 0 DEAERO CC1(C)C[NH2+]CCN1C(=O)/C=C\c1ccc(Br)o1 ZINC000700608475 1086321829 /nfs/dbraw/zinc/32/18/29/1086321829.db2.gz IGHGGBQYKSFTNE-XQRVVYSFSA-N 1 0 313.195 2.266 10 0 DEAERO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)/C=C\c1ccc(Br)o1 ZINC000700616970 1086323601 /nfs/dbraw/zinc/32/36/01/1086323601.db2.gz XYOBXDKDUYOGTG-PHHYPKRSSA-N 1 0 313.195 2.394 10 0 DEAERO O=C(c1csc(Br)c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702237777 1086417743 /nfs/dbraw/zinc/41/77/43/1086417743.db2.gz NHBLOLLXRPEXNG-JTQLQIEISA-N 1 0 315.236 2.431 10 0 DEAERO Nc1c(Cl)cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1Cl ZINC000702303314 1086420559 /nfs/dbraw/zinc/42/05/59/1086420559.db2.gz RDWPWUCFAWHMSC-SNVBAGLBSA-N 1 0 314.216 2.496 10 0 DEAERO C[C@@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000702358476 1086422946 /nfs/dbraw/zinc/42/29/46/1086422946.db2.gz SALLJVAOXSRNPB-GOEBONIOSA-N 1 0 305.466 2.244 10 0 DEAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CNOC2)cc1Br ZINC000703361582 1086495047 /nfs/dbraw/zinc/49/50/47/1086495047.db2.gz BUJIEEWSQUQWRX-PSASIEDQSA-N 1 0 301.184 2.012 10 0 DEAERO CCOC1CCC([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000703808505 1086553376 /nfs/dbraw/zinc/55/33/76/1086553376.db2.gz OVXXUKAJKSYQNN-ROKHWSDSSA-N 1 0 314.426 2.475 10 0 DEAERO CN(Cc1ccc(N)nn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000703910147 1086568070 /nfs/dbraw/zinc/56/80/70/1086568070.db2.gz ILKCPILTPIQSFC-QGZVFWFLSA-N 1 0 311.433 2.155 10 0 DEAERO Cc1c(F)ncnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705628282 1086619220 /nfs/dbraw/zinc/61/92/20/1086619220.db2.gz NGMJBTHIRVBEKV-IYBDPMFKSA-N 1 0 312.392 2.492 10 0 DEAERO COC(CN1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000705662612 1086622118 /nfs/dbraw/zinc/62/21/18/1086622118.db2.gz LSFDWQATQWEMIA-RTBURBONSA-N 1 0 318.461 2.449 10 0 DEAERO Brc1ccc2oc(N3C[C@H]4C[NH2+]C[C@H]4C3)nc2c1 ZINC000705923688 1086626010 /nfs/dbraw/zinc/62/60/10/1086626010.db2.gz SNOAFJLVZBGITI-DTORHVGOSA-N 1 0 308.179 2.246 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)CS1 ZINC000705907137 1086627914 /nfs/dbraw/zinc/62/79/14/1086627914.db2.gz MYLKCHVJFPOQAM-OLZOCXBDSA-N 1 0 318.483 2.354 10 0 DEAERO C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)N(C)C ZINC000707938971 1086675063 /nfs/dbraw/zinc/67/50/63/1086675063.db2.gz CWGHFHIXKFGTPH-BARDWOONSA-N 1 0 311.470 2.314 10 0 DEAERO C[NH+](C)C1(C)CCN(c2ncnc(F)c2Br)CC1 ZINC000709873333 1086685365 /nfs/dbraw/zinc/68/53/65/1086685365.db2.gz OUFBVSNJKNRBJV-UHFFFAOYSA-N 1 0 317.206 2.299 10 0 DEAERO CC(C)(C)C[C@H](CO)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710852409 1086689855 /nfs/dbraw/zinc/68/98/55/1086689855.db2.gz BDCNAWLYAHIZQR-CYBMUJFWSA-N 1 0 300.443 2.240 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000710906660 1086690791 /nfs/dbraw/zinc/69/07/91/1086690791.db2.gz PQRJQHOGMKGKIB-QWHCGFSZSA-N 1 0 314.426 2.127 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2cccc(CO)c2)C1 ZINC000710886207 1086690879 /nfs/dbraw/zinc/69/08/79/1086690879.db2.gz VSOHDMNLVVFJJJ-UHFFFAOYSA-N 1 0 306.406 2.135 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H](CO)C2)C1 ZINC000711439920 1087106324 /nfs/dbraw/zinc/10/63/24/1087106324.db2.gz JXDQBQYFRGHLAH-BYNSBNAKSA-N 1 0 312.454 2.430 10 0 DEAERO CC[C@@H](CCO)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711491324 1087140461 /nfs/dbraw/zinc/14/04/61/1087140461.db2.gz MLEIGORWWBLIBO-MELADBBJSA-N 1 0 300.443 2.288 10 0 DEAERO Cn1nccc1C[NH2+][C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711638407 1087179111 /nfs/dbraw/zinc/17/91/11/1087179111.db2.gz GCCWELJBAYPNNS-YOEHRIQHSA-N 1 0 320.437 2.442 10 0 DEAERO CO[C@@]1(C[NH2+]CCCNC(=O)OC(C)(C)C)CCSC1 ZINC000719322749 1088952280 /nfs/dbraw/zinc/95/22/80/1088952280.db2.gz GSEINZYOUKCWMR-CQSZACIVSA-N 1 0 304.456 2.013 10 0 DEAERO Cc1nc(C[NH2+][C@H]2CCN(C)[C@H]2C)sc1Br ZINC000719602898 1089324968 /nfs/dbraw/zinc/32/49/68/1089324968.db2.gz QFTYSZQTZZOKSN-IUCAKERBSA-N 1 0 304.257 2.396 10 0 DEAERO COC(C)(C)[C@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000720237899 1089537481 /nfs/dbraw/zinc/53/74/81/1089537481.db2.gz XENHKWCHIXRFRW-AAEUAGOBSA-N 1 0 301.814 2.483 10 0 DEAERO FC(F)(F)C(F)(F)OCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000720296122 1089542119 /nfs/dbraw/zinc/54/21/19/1089542119.db2.gz DSKCTFXPOKKBHI-UHFFFAOYSA-N 1 0 319.270 2.433 10 0 DEAERO c1cc2cc(-c3nc([C@@H]4C[NH+]5CCC4CC5)no3)cnc2cn1 ZINC000350081273 1143031707 /nfs/dbraw/zinc/03/17/07/1143031707.db2.gz YZZHHXBSCRLDKQ-CQSZACIVSA-N 1 0 307.357 2.489 10 0 DEAERO Cc1cccc(N2CCN(C(=O)CC[NH+]3CCCC3)CC2)c1C ZINC000074693648 185009832 /nfs/dbraw/zinc/00/98/32/185009832.db2.gz XCGKVDWVIWFVIV-UHFFFAOYSA-N 1 0 315.461 2.438 10 0 DEAERO CCc1ccc([C@H]([NH3+])[C@@H](C)SCCS(C)(=O)=O)cc1 ZINC000081768190 192322088 /nfs/dbraw/zinc/32/20/88/192322088.db2.gz ITQJMAVIFYQECK-BXUZGUMPSA-N 1 0 301.477 2.415 10 0 DEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCc1cccc(Br)c1 ZINC000423651960 230532320 /nfs/dbraw/zinc/53/23/20/230532320.db2.gz WOYXGAAQJYDQKK-ZWNOBZJWSA-N 1 0 311.223 2.330 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@H]1Sc1nnnn1C1CCCC1 ZINC000081866684 192332956 /nfs/dbraw/zinc/33/29/56/192332956.db2.gz UVUWQRQQSOHFLK-CHWSQXEVSA-N 1 0 311.455 2.037 10 0 DEAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1Sc1nncn1C ZINC000081867076 192333059 /nfs/dbraw/zinc/33/30/59/192333059.db2.gz LGPYSURRWQUSSQ-UONOGXRCSA-N 1 0 304.419 2.191 10 0 DEAERO CC[NH2+][C@@H](CSc1n[nH]c(=O)n1C)c1ccc(C)cc1C ZINC000081880737 192333854 /nfs/dbraw/zinc/33/38/54/192333854.db2.gz VYSNRJLKZUNFKU-ZDUSSCGKSA-N 1 0 306.435 2.168 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1Sc1n[nH]c(=O)n1C(C)C ZINC000081879401 192334367 /nfs/dbraw/zinc/33/43/67/192334367.db2.gz VFTXRVJCLMTHTC-QWHCGFSZSA-N 1 0 304.419 2.130 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1SCCCOC)OCCO2 ZINC000081887563 192334643 /nfs/dbraw/zinc/33/46/43/192334643.db2.gz LXNZOQXTHDCJDS-KGLIPLIRSA-N 1 0 303.468 2.420 10 0 DEAERO COCCC1(CNC(=O)NCc2nccn2CC(C)C)CC1 ZINC000151113162 282111292 /nfs/dbraw/zinc/11/12/92/282111292.db2.gz SGOIOSMEICZPNH-UHFFFAOYSA-N 1 0 308.426 2.155 10 0 DEAERO [NH3+]Cc1ccc(CS(=O)(=O)N2CC[C@H]3CCCC[C@@H]32)cc1 ZINC000162590258 197577484 /nfs/dbraw/zinc/57/74/84/197577484.db2.gz DBUNFBSCEBCTGL-CVEARBPZSA-N 1 0 308.447 2.240 10 0 DEAERO C[NH2+]C[C@H]1CCN(C(=O)NC[C@H]2CCC3(CCCCC3)O2)C1 ZINC000333552865 282951874 /nfs/dbraw/zinc/95/18/74/282951874.db2.gz KKPZGRFIJXKDCT-HUUCEWRRSA-N 1 0 309.454 2.119 10 0 DEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)Cc1ccccc1 ZINC000081923650 192339584 /nfs/dbraw/zinc/33/95/84/192339584.db2.gz CHELEBMJFPLZPG-SJORKVTESA-N 1 0 301.411 2.487 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)c1cccs1)c1cccc(OC)c1 ZINC000081926978 192339621 /nfs/dbraw/zinc/33/96/21/192339621.db2.gz WMUJDQIHFHHJRY-ZDUSSCGKSA-N 1 0 311.428 2.491 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccccc2Cl)CCO1 ZINC000116794774 282123056 /nfs/dbraw/zinc/12/30/56/282123056.db2.gz GBNSZRXBYJSMSO-CQSZACIVSA-N 1 0 310.825 2.062 10 0 DEAERO CC(C)[NH2+]Cc1cc(Cl)ccc1N1C[C@@H](CO)OC[C@@H]1C ZINC000162941266 197602248 /nfs/dbraw/zinc/60/22/48/197602248.db2.gz WGSUPPQNLZECFX-WFASDCNBSA-N 1 0 312.841 2.424 10 0 DEAERO C[NH+](C)CCCOCC(C)(C)N1C(=O)c2ccccc2C1=O ZINC000096777600 185387074 /nfs/dbraw/zinc/38/70/74/185387074.db2.gz PAUJFILOODXZKV-UHFFFAOYSA-N 1 0 304.390 2.030 10 0 DEAERO CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2F)C1 ZINC000163500385 197634215 /nfs/dbraw/zinc/63/42/15/197634215.db2.gz UAMRTPNJARCXJS-GFCCVEGCSA-N 1 0 314.426 2.341 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1F)[C@@H]1CN(C)CCO1 ZINC000163623373 197641560 /nfs/dbraw/zinc/64/15/60/197641560.db2.gz AGGSCUQFWKWVJE-GJZGRUSLSA-N 1 0 300.805 2.330 10 0 DEAERO C[NH2+][C@@H]1CCC[C@H]1S(=O)(=O)c1ccccc1Br ZINC000081931557 192340999 /nfs/dbraw/zinc/34/09/99/192340999.db2.gz FDYRBQVYDURPOR-ZYHUDNBSSA-N 1 0 318.236 2.363 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)CC(C)C)c1ccc(OC)c(OC)c1 ZINC000081928773 192341138 /nfs/dbraw/zinc/34/11/38/192341138.db2.gz IQAPZPIHUSIHRZ-ZDUSSCGKSA-N 1 0 315.435 2.035 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)NCC2(C3CC3)CC2)C[C@@H]1CC ZINC000152324060 282141296 /nfs/dbraw/zinc/14/12/96/282141296.db2.gz MMJVWKLOMXHIHJ-INIZCTEOSA-N 1 0 323.481 2.319 10 0 DEAERO COC(=O)[C@@](C)(NCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000078901533 185126308 /nfs/dbraw/zinc/12/63/08/185126308.db2.gz KVVUOKAFRBWZPT-AWEZNQCLSA-N 1 0 302.777 2.019 10 0 DEAERO CC[NH2+][C@H](C)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936222 192343234 /nfs/dbraw/zinc/34/32/34/192343234.db2.gz NKBKQSGCEGLLCR-GFCCVEGCSA-N 1 0 313.419 2.010 10 0 DEAERO CCC[C@H](CS(=O)(=O)c1ccc2c(c1)OCCO2)[NH2+]CC ZINC000081935418 192343434 /nfs/dbraw/zinc/34/34/34/192343434.db2.gz XZLAZMLXCULLDT-GFCCVEGCSA-N 1 0 313.419 2.010 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@H](C)C1C[NH2+]C1 ZINC000164714896 197661761 /nfs/dbraw/zinc/66/17/61/197661761.db2.gz LDYFQFIOXSLSTC-MRVPVSSYSA-N 1 0 300.200 2.094 10 0 DEAERO CC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081946433 192345273 /nfs/dbraw/zinc/34/52/73/192345273.db2.gz YIJANIVFGXWEOL-STQMWFEESA-N 1 0 321.801 2.020 10 0 DEAERO COC(=O)[C@@H](NC(=O)CC[C@H](CC[NH3+])C(C)(C)C)C(C)C ZINC000079290667 185163453 /nfs/dbraw/zinc/16/34/53/185163453.db2.gz BOYNEKMQCVDQFK-OCCSQVGLSA-N 1 0 300.443 2.092 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2C[NH3+])CC1 ZINC000079308518 185164176 /nfs/dbraw/zinc/16/41/76/185164176.db2.gz HAVJPQLGVCDGKG-LBPRGKRZSA-N 1 0 314.426 2.485 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)CC1 ZINC000079308582 185164219 /nfs/dbraw/zinc/16/42/19/185164219.db2.gz JSLJBMARROGGLY-LBPRGKRZSA-N 1 0 314.426 2.485 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000152912008 282157385 /nfs/dbraw/zinc/15/73/85/282157385.db2.gz JRIGINWMMVBJQW-HOCLYGCPSA-N 1 0 322.449 2.039 10 0 DEAERO C[C@]1(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)CCC[NH2+]1 ZINC000079516640 185173814 /nfs/dbraw/zinc/17/38/14/185173814.db2.gz NAZWUCWUXTZUIY-CZUORRHYSA-N 1 0 308.447 2.398 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(Sc3nc[nH]n3)cc2)CCC[NH2+]1 ZINC000079515576 185173873 /nfs/dbraw/zinc/17/38/73/185173873.db2.gz FXQFBCNYUIAFDY-CQSZACIVSA-N 1 0 303.391 2.037 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000082311408 185175051 /nfs/dbraw/zinc/17/50/51/185175051.db2.gz GFVIOSVOJXYUOL-KRWDZBQOSA-N 1 0 301.434 2.210 10 0 DEAERO CCCCS(=O)(=O)[C@H]1CCc2cc(OC)ccc2[C@H]1[NH2+]C ZINC000081973216 192347246 /nfs/dbraw/zinc/34/72/46/192347246.db2.gz GBBVALLBLOVAAD-JKSUJKDBSA-N 1 0 311.447 2.485 10 0 DEAERO CC[NH2+][C@@H](CCO)CSc1ncccc1Br ZINC000082990725 185210329 /nfs/dbraw/zinc/21/03/29/185210329.db2.gz HPQDMNZYRPHWDV-VIFPVBQESA-N 1 0 305.241 2.297 10 0 DEAERO C[NH2+][C@H](c1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000082998702 185210799 /nfs/dbraw/zinc/21/07/99/185210799.db2.gz UUDBVQDGSACLHK-XCBNKYQSSA-N 1 0 324.265 2.206 10 0 DEAERO C[C@@H](C[NH2+]CC(=O)Nc1c(Cl)cccc1Cl)[S@](C)=O ZINC000165245763 197673105 /nfs/dbraw/zinc/67/31/05/197673105.db2.gz UVHHQIQQTKVSTI-WPCRTTGESA-N 1 0 323.245 2.289 10 0 DEAERO O=C(C[C@H]1CCCCC(=O)N1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328675168 231302593 /nfs/dbraw/zinc/30/25/93/231302593.db2.gz QOFLDWQQLFBQFK-HUUCEWRRSA-N 1 0 307.438 2.362 10 0 DEAERO COC(=O)CCC[N@@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000083402867 185222220 /nfs/dbraw/zinc/22/22/20/185222220.db2.gz AEZPVVBQFXTHAV-CYBMUJFWSA-N 1 0 307.390 2.446 10 0 DEAERO CCOCC[C@H](O)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000087378684 185223168 /nfs/dbraw/zinc/22/31/68/185223168.db2.gz FCYHWVMMKMXXNA-STQMWFEESA-N 1 0 302.212 2.279 10 0 DEAERO CC(C)[C@@H](C[NH3+])NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000087404836 185223979 /nfs/dbraw/zinc/22/39/79/185223979.db2.gz YXMRXYTWTNXHHU-SECBINFHSA-N 1 0 311.234 2.255 10 0 DEAERO O[C@@H]1[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCC12CCOCC2 ZINC000328749325 231330539 /nfs/dbraw/zinc/33/05/39/231330539.db2.gz MIHAUMJRTXXYDP-FIDHJVLJSA-N 1 0 321.461 2.101 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)NCc1cc(Br)ccc1F ZINC000087533015 185227584 /nfs/dbraw/zinc/22/75/84/185227584.db2.gz IVZAOZLGASINQY-QMMMGPOBSA-N 1 0 303.175 2.189 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)NCc1cc(F)ccc1Br ZINC000087528674 185227585 /nfs/dbraw/zinc/22/75/85/185227585.db2.gz WEEPZQIQSJCTTI-QMMMGPOBSA-N 1 0 303.175 2.189 10 0 DEAERO C[C@H](c1nc(-c2ccc(Br)cn2)no1)C1C[NH2+]C1 ZINC000165408531 197676101 /nfs/dbraw/zinc/67/61/01/197676101.db2.gz AXSKEHBYPOVHLF-ZETCQYMHSA-N 1 0 309.167 2.217 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)c1sccc1Br ZINC000087571901 185228445 /nfs/dbraw/zinc/22/84/45/185228445.db2.gz ZPHZWSCLFMASNJ-LLVKDONJSA-N 1 0 308.241 2.344 10 0 DEAERO Cc1nnc(SCCOc2ccc(Cl)cc2)n1CC[NH3+] ZINC000087715110 185230893 /nfs/dbraw/zinc/23/08/93/185230893.db2.gz RBMUVFDSILVZPT-UHFFFAOYSA-N 1 0 312.826 2.370 10 0 DEAERO NNc1nc(NCc2sccc2Br)c(F)c[nH+]1 ZINC000087896068 185235659 /nfs/dbraw/zinc/23/56/59/185235659.db2.gz INKBDZINFLEDKP-UHFFFAOYSA-N 1 0 318.175 2.337 10 0 DEAERO C[C@@H](Cn1c(N)[nH+]c2ccc(Br)cc21)[S@@](C)=O ZINC000165574326 197677503 /nfs/dbraw/zinc/67/75/03/197677503.db2.gz HHYJKSLGVVFLFH-SKLCBMLGSA-N 1 0 316.224 2.148 10 0 DEAERO COc1ccc([C@@H](C[NH3+])NC[C@@H]2CCCO2)c(Cl)c1OC ZINC000087928373 185237676 /nfs/dbraw/zinc/23/76/76/185237676.db2.gz KLWSVUSCUNMGSP-CMPLNLGQSA-N 1 0 314.813 2.126 10 0 DEAERO COc1ccc(Br)c(C[S@](=O)CCC[NH3+])c1 ZINC000088066807 185238648 /nfs/dbraw/zinc/23/86/48/185238648.db2.gz RRCQNCIJCMLOQT-INIZCTEOSA-N 1 0 306.225 2.055 10 0 DEAERO C[C@@H]([NH3+])CCS(=O)(=O)Cc1ccc(Br)s1 ZINC000088077619 185238781 /nfs/dbraw/zinc/23/87/81/185238781.db2.gz NLMAKTBTJBMKCZ-SSDOTTSWSA-N 1 0 312.254 2.163 10 0 DEAERO CC(C)([NH3+])CS(=O)(=O)Cc1ccccc1Br ZINC000088072230 185238817 /nfs/dbraw/zinc/23/88/17/185238817.db2.gz WVHTXIIJQMJQEL-UHFFFAOYSA-N 1 0 306.225 2.101 10 0 DEAERO CC[C@H]([NH3+])CS(=O)(=O)Cc1cccc(Br)c1 ZINC000088075037 185238954 /nfs/dbraw/zinc/23/89/54/185238954.db2.gz PKKGKTUSNKDIJZ-NSHDSACASA-N 1 0 306.225 2.101 10 0 DEAERO COc1ccc(CSc2nnc(N(C)C)s2)cc1C(N)=[NH2+] ZINC000087828911 185232380 /nfs/dbraw/zinc/23/23/80/185232380.db2.gz LGWAIUIOPHVTMN-UHFFFAOYSA-N 1 0 323.447 2.189 10 0 DEAERO COc1ccc(CN(C)Cc2scnc2C)cc1C(N)=[NH2+] ZINC000087828076 185232491 /nfs/dbraw/zinc/23/24/91/185232491.db2.gz UFRLKTNLMDFTNX-UHFFFAOYSA-N 1 0 304.419 2.376 10 0 DEAERO COc1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1C[NH3+] ZINC000087833043 185232784 /nfs/dbraw/zinc/23/27/84/185232784.db2.gz BTPDKPJPEALGSH-UHFFFAOYSA-N 1 0 305.399 2.436 10 0 DEAERO COc1ccc(CS(=O)(=O)c2ccccc2F)cc1C[NH3+] ZINC000087833045 185232835 /nfs/dbraw/zinc/23/28/35/185232835.db2.gz HMUPNRJLMYDBRZ-UHFFFAOYSA-N 1 0 309.362 2.267 10 0 DEAERO C[NH2+][C@H](Cc1ccc(F)c(Br)c1)[C@@H]1COCCO1 ZINC000087857735 185233707 /nfs/dbraw/zinc/23/37/07/185233707.db2.gz HUXNILFQKCCKDL-OLZOCXBDSA-N 1 0 318.186 2.134 10 0 DEAERO C[C@H](CC[NH3+])S(=O)(=O)Cc1cccc(Br)c1 ZINC000088088248 185239456 /nfs/dbraw/zinc/23/94/56/185239456.db2.gz HBBIAJSUXNUGBE-SECBINFHSA-N 1 0 306.225 2.101 10 0 DEAERO CCC[NH2+][C@@H](c1occc1Br)[C@@H]1COCCO1 ZINC000087858738 185233812 /nfs/dbraw/zinc/23/38/12/185233812.db2.gz CMVYTIVPLXVIRD-WDEREUQCSA-N 1 0 304.184 2.498 10 0 DEAERO C[NH2+][C@H](Cc1ccc(F)c(Br)c1)[C@H]1COCCO1 ZINC000087857737 185233910 /nfs/dbraw/zinc/23/39/10/185233910.db2.gz HUXNILFQKCCKDL-CHWSQXEVSA-N 1 0 318.186 2.134 10 0 DEAERO C[C@H]1CCCC[C@H]1Oc1nc(NN)[nH+]cc1Br ZINC000087878057 185234116 /nfs/dbraw/zinc/23/41/16/185234116.db2.gz DHKGPRYLLBKWPA-IONNQARKSA-N 1 0 301.188 2.482 10 0 DEAERO NNc1nc(NCc2ccc(Br)cc2)c(F)c[nH+]1 ZINC000087884699 185234407 /nfs/dbraw/zinc/23/44/07/185234407.db2.gz SIAFKWFGMFTMJF-UHFFFAOYSA-N 1 0 312.146 2.276 10 0 DEAERO C[NH2+][C@@H]1CCCN(c2c(F)cc(Br)cc2F)C1=O ZINC000088172872 185240810 /nfs/dbraw/zinc/24/08/10/185240810.db2.gz UWHBYFGQBFYGEM-SNVBAGLBSA-N 1 0 319.149 2.442 10 0 DEAERO O=S(=O)(Nc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000088171778 185240907 /nfs/dbraw/zinc/24/09/07/185240907.db2.gz ZQPUKCDPMRPNFI-QMMMGPOBSA-N 1 0 309.218 2.487 10 0 DEAERO [NH3+]C1CC(NC(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000088126034 185240035 /nfs/dbraw/zinc/24/00/35/185240035.db2.gz IGACMPBCBJSZNF-UHFFFAOYSA-N 1 0 303.587 2.322 10 0 DEAERO Nc1ccc(=O)n(CCC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000088416976 185249245 /nfs/dbraw/zinc/24/92/45/185249245.db2.gz SLPPBJHHJDRIOD-LLVKDONJSA-N 1 0 303.328 2.095 10 0 DEAERO FC(F)(F)C1CCN(C[C@@]2(C[NH2+]C3CC3)CCOC2)CC1 ZINC000088436678 185250239 /nfs/dbraw/zinc/25/02/39/185250239.db2.gz RBOXIBWZTKBQAS-AWEZNQCLSA-N 1 0 306.372 2.419 10 0 DEAERO COC(=O)[C@@](C)(C[NH+]1CCC(C(F)(F)F)CC1)NC(C)C ZINC000088435464 185250392 /nfs/dbraw/zinc/25/03/92/185250392.db2.gz RQCGUPGOWQXYQR-CYBMUJFWSA-N 1 0 310.360 2.190 10 0 DEAERO CCN[C@@](C)(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000088435342 185250462 /nfs/dbraw/zinc/25/04/62/185250462.db2.gz KZONAKMFUFUFOR-AAEUAGOBSA-N 1 0 310.360 2.192 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)C[C@@H](C)CC)o1 ZINC000088543734 185256839 /nfs/dbraw/zinc/25/68/39/185256839.db2.gz AYNXTKZOAKRIGP-LBPRGKRZSA-N 1 0 302.440 2.446 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC(C)C)C2CC2)o1 ZINC000088544201 185256849 /nfs/dbraw/zinc/25/68/49/185256849.db2.gz YHLZFNOVIDZVRP-UHFFFAOYSA-N 1 0 300.424 2.198 10 0 DEAERO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(=O)(=O)NC)o2)C1 ZINC000088540921 185255776 /nfs/dbraw/zinc/25/57/76/185255776.db2.gz PCAUOBYMZWBHIR-NEPJUHHUSA-N 1 0 300.424 2.246 10 0 DEAERO CCCC[C@H](CC)C[NH2+]Cc1ccc(S(=O)(=O)NC)o1 ZINC000088539922 185255902 /nfs/dbraw/zinc/25/59/02/185255902.db2.gz VNLQJXVGZMQZAK-LBPRGKRZSA-N 1 0 302.440 2.494 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)o1 ZINC000088542084 185256215 /nfs/dbraw/zinc/25/62/15/185256215.db2.gz HTKTWBBMLBGTTA-DGCLKSJQSA-N 1 0 300.424 2.246 10 0 DEAERO CC[NH2+][C@@H](C)CS(=O)(=O)c1cccc(Br)c1 ZINC000081982730 192348943 /nfs/dbraw/zinc/34/89/43/192348943.db2.gz SDZQMYNHBBNJAP-VIFPVBQESA-N 1 0 306.225 2.221 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)o1 ZINC000088551447 185257619 /nfs/dbraw/zinc/25/76/19/185257619.db2.gz VWYRLKGCLDAJRY-SDDRHHMPSA-N 1 0 300.424 2.102 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)C(CC)CC)o1 ZINC000088551036 185257651 /nfs/dbraw/zinc/25/76/51/185257651.db2.gz DNFHXTIMYZALBX-LLVKDONJSA-N 1 0 302.440 2.492 10 0 DEAERO C[C@H]([NH3+])c1csc(N2C(=O)c3cc(F)c(F)cc3C2=O)n1 ZINC000088570546 185258196 /nfs/dbraw/zinc/25/81/96/185258196.db2.gz LCOBVXNIPJHNGP-YFKPBYRVSA-N 1 0 309.297 2.242 10 0 DEAERO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1=O)c1ccccc1C(F)(F)F ZINC000088774579 185265451 /nfs/dbraw/zinc/26/54/51/185265451.db2.gz VONJUBMURWTCPU-KWQFWETISA-N 1 0 300.280 2.113 10 0 DEAERO C[NH2+][C@H](C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000081982876 192349403 /nfs/dbraw/zinc/34/94/03/192349403.db2.gz UCPWRJUNSMJHOU-SECBINFHSA-N 1 0 306.225 2.221 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1S(=O)(=O)CCCOC ZINC000081985269 192349438 /nfs/dbraw/zinc/34/94/38/192349438.db2.gz APWQVULISPAEGD-JKSUJKDBSA-N 1 0 311.447 2.103 10 0 DEAERO Cc1ccccc1S(=O)(=O)N[C@H]1CCC[C@H]1n1ccnc1 ZINC000088717674 185263039 /nfs/dbraw/zinc/26/30/39/185263039.db2.gz TVPMQRBBFRPBHN-UONOGXRCSA-N 1 0 305.403 2.264 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2CC[C@H]1S(=O)(=O)CCCOC ZINC000081986168 192349577 /nfs/dbraw/zinc/34/95/77/192349577.db2.gz YRUUUTKNXHGDNM-CVEARBPZSA-N 1 0 311.447 2.103 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)Cc1ccccc1C ZINC000081984809 192350010 /nfs/dbraw/zinc/35/00/10/192350010.db2.gz ADBNXIQZGXONDS-HZPDHXFCSA-N 1 0 311.447 2.067 10 0 DEAERO CCC[C@H](C(=O)NCCOc1ccc(F)cc1F)[NH+](C)C ZINC000179232289 282219572 /nfs/dbraw/zinc/21/95/72/282219572.db2.gz RTLZWLWRXTYXEN-CYBMUJFWSA-N 1 0 300.349 2.190 10 0 DEAERO CCC[C@H](C(=O)N1CCN(Cc2ccccc2C)CC1)[NH+](C)C ZINC000179238854 282220166 /nfs/dbraw/zinc/22/01/66/282220166.db2.gz RAEOSDHBHRJAJI-GOSISDBHSA-N 1 0 317.477 2.370 10 0 DEAERO CCC[NH2+][C@@H]1CCCCCC[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000082009576 192353573 /nfs/dbraw/zinc/35/35/73/192353573.db2.gz YWFNZIMKAKUABU-KGLIPLIRSA-N 1 0 319.467 2.055 10 0 DEAERO CCN(C(=O)c1cc(F)cc(Br)c1)C1C[NH2+]C1 ZINC000090291236 185289539 /nfs/dbraw/zinc/28/95/39/185289539.db2.gz MNQBOKRCIAUUDH-UHFFFAOYSA-N 1 0 301.159 2.022 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1cc(Cl)ccc1Cl ZINC000090312177 185290527 /nfs/dbraw/zinc/29/05/27/185290527.db2.gz OENGANLAOZRFSW-UTUOFQBUSA-N 1 0 303.189 2.228 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1nc(-c2cccs2)no1 ZINC000090332327 185291469 /nfs/dbraw/zinc/29/14/69/185291469.db2.gz AVLZBPVZNSELSG-IJLUTSLNSA-N 1 0 304.419 2.228 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1nnc(-c2cccs2)o1 ZINC000090333253 185291545 /nfs/dbraw/zinc/29/15/45/185291545.db2.gz QTMQTDGLOJKJFQ-GRYCIOLGSA-N 1 0 304.419 2.228 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1nc(-c2cccs2)no1 ZINC000090332329 185291655 /nfs/dbraw/zinc/29/16/55/185291655.db2.gz AVLZBPVZNSELSG-GRYCIOLGSA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1ccc(Cl)s1 ZINC000090336862 185291791 /nfs/dbraw/zinc/29/17/91/185291791.db2.gz OBKKVOMMMARCDA-IUCAKERBSA-N 1 0 320.867 2.020 10 0 DEAERO CN(C(=O)C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000090473426 185298519 /nfs/dbraw/zinc/29/85/19/185298519.db2.gz GLTDILNBBNMMHR-UHFFFAOYSA-N 1 0 312.417 2.258 10 0 DEAERO Cc1cc2ncc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)c(C)n2n1 ZINC000090517981 185299852 /nfs/dbraw/zinc/29/98/52/185299852.db2.gz WZYQOMYFHDIPOA-QSRBQVKKSA-N 1 0 308.451 2.154 10 0 DEAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000090380498 185293486 /nfs/dbraw/zinc/29/34/86/185293486.db2.gz CMVABRZEWQCGQO-APPZFPTMSA-N 1 0 308.687 2.271 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000090437620 185296206 /nfs/dbraw/zinc/29/62/06/185296206.db2.gz QDLQYSWVAPQGDF-KCJUWKMLSA-N 1 0 306.259 2.017 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@H]1COC[C@H]1[NH2+]C ZINC000090434241 185296383 /nfs/dbraw/zinc/29/63/83/185296383.db2.gz OXBPVDPUTAQCON-WCQYABFASA-N 1 0 312.797 2.302 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000090436573 185296426 /nfs/dbraw/zinc/29/64/26/185296426.db2.gz SPRCFJLCMGKOEU-PSASIEDQSA-N 1 0 320.723 2.114 10 0 DEAERO CC[C@@H]([NH3+])C[S@](=O)Cc1cc(OC)ccc1Br ZINC000166735718 197697391 /nfs/dbraw/zinc/69/73/91/197697391.db2.gz CJWCESXOAWZZNJ-QGHHPUGFSA-N 1 0 320.252 2.444 10 0 DEAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090590397 185305636 /nfs/dbraw/zinc/30/56/36/185305636.db2.gz PZBWAJLGHVLQKU-SMDDNHRTSA-N 1 0 317.216 2.316 10 0 DEAERO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090592326 185305825 /nfs/dbraw/zinc/30/58/25/185305825.db2.gz DOIFDGDWDUDZHP-GOEBONIOSA-N 1 0 310.825 2.441 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000090539603 185301679 /nfs/dbraw/zinc/30/16/79/185301679.db2.gz WRMPYEAVMQVUDA-GXFFZTMASA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000090538539 185301728 /nfs/dbraw/zinc/30/17/28/185301728.db2.gz YJRRRBVOHCUAPZ-YPMHNXCESA-N 1 0 312.797 2.302 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1c(F)cc(F)cc1F ZINC000090546558 185302164 /nfs/dbraw/zinc/30/21/64/185302164.db2.gz QQRXMKFYKHDRDV-JOYOIKCWSA-N 1 0 302.296 2.057 10 0 DEAERO C[C@]1(C(=O)NCCc2ccc(Cl)cc2Cl)COC[C@@H]1[NH3+] ZINC000090581426 185304886 /nfs/dbraw/zinc/30/48/86/185304886.db2.gz NWVKHHIVDMNWJV-JSGCOSHPSA-N 1 0 317.216 2.016 10 0 DEAERO [NH3+]CC1(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1 ZINC000167141699 197704338 /nfs/dbraw/zinc/70/43/38/197704338.db2.gz CBQNZFPARBTXOZ-UHFFFAOYSA-N 1 0 307.781 2.144 10 0 DEAERO CCCNc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2)cn1 ZINC000092366130 185314115 /nfs/dbraw/zinc/31/41/15/185314115.db2.gz PHBBMTJBHSIJAG-UHFFFAOYSA-N 1 0 306.391 2.408 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](Sc1nccc(=O)[nH]1)CC2 ZINC000092389350 185315535 /nfs/dbraw/zinc/31/55/35/185315535.db2.gz KPEFAFIPTZIVQV-GXTWGEPZSA-N 1 0 303.387 2.298 10 0 DEAERO CCc1nn(C)c(CC(=O)[C@H]([NH3+])[C@H](C)CC)c1Br ZINC000167283595 197706231 /nfs/dbraw/zinc/70/62/31/197706231.db2.gz DVVCHWODPKAGRI-AMIZOPFISA-N 1 0 316.243 2.230 10 0 DEAERO Cc1nn(-c2ccccc2)c2nc(N3CC[NH2+]CC3)cc(C)c12 ZINC000011567792 282242929 /nfs/dbraw/zinc/24/29/29/282242929.db2.gz JXJJBZWBCSLJQW-UHFFFAOYSA-N 1 0 307.401 2.447 10 0 DEAERO COc1cccc(C[NH+]2CCC(n3cncn3)CC2)c1OC ZINC000092647915 185331203 /nfs/dbraw/zinc/33/12/03/185331203.db2.gz FQXRWXIEOLRYRT-UHFFFAOYSA-N 1 0 302.378 2.132 10 0 DEAERO C[C@@H](CO)[C@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184879548 282257273 /nfs/dbraw/zinc/25/72/73/282257273.db2.gz LIZWNQXNSLOKMQ-HOTGVXAUSA-N 1 0 318.461 2.422 10 0 DEAERO CCOC(C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C)OCC ZINC000184976223 282257960 /nfs/dbraw/zinc/25/79/60/282257960.db2.gz CZEUDJCHZLOXLZ-ZDUSSCGKSA-N 1 0 316.442 2.375 10 0 DEAERO CCc1ccc(NC(=O)NCC[N@H+](CC)CCO)cc1CC ZINC000185473999 282263104 /nfs/dbraw/zinc/26/31/04/282263104.db2.gz ULHZZRGGARRWSA-UHFFFAOYSA-N 1 0 307.438 2.247 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](S(=O)(=O)CC1CCCC1)C2 ZINC000092859306 185346874 /nfs/dbraw/zinc/34/68/74/185346874.db2.gz YGXAHQSJHGNJRK-CVEARBPZSA-N 1 0 309.431 2.225 10 0 DEAERO [NH3+][C@@H]1CCO[C@H]1c1cc(Br)c2c(c1)OCCCO2 ZINC000092888673 185347932 /nfs/dbraw/zinc/34/79/32/185347932.db2.gz NXZTXESMFQLWPV-PWSUYJOCSA-N 1 0 314.179 2.399 10 0 DEAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1Sc1nccc(=O)[nH]1 ZINC000092911619 185348446 /nfs/dbraw/zinc/34/84/46/185348446.db2.gz TYRFZJVETISXJW-OCCSQVGLSA-N 1 0 303.387 2.168 10 0 DEAERO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@H]1CCCO1 ZINC000095393984 185352194 /nfs/dbraw/zinc/35/21/94/185352194.db2.gz JJFVBYBJEQHYBV-HRCADAONSA-N 1 0 309.454 2.214 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C12CCOCC2 ZINC000186271128 282271193 /nfs/dbraw/zinc/27/11/93/282271193.db2.gz RLBWPRKMADAWOD-IAGOWNOFSA-N 1 0 323.408 2.382 10 0 DEAERO COCCc1nc(C)c([C@@H](C)[NH2+]CCn2cc(C)cn2)s1 ZINC000181437010 199296447 /nfs/dbraw/zinc/29/64/47/199296447.db2.gz WKNBIYNACKQYSF-GFCCVEGCSA-N 1 0 308.451 2.496 10 0 DEAERO CCc1nn(C)c(CC(=O)[C@H](C[NH3+])c2ccccc2)c1Cl ZINC000168935255 197732034 /nfs/dbraw/zinc/73/20/34/197732034.db2.gz IFHUPHMGFMLYGA-GFCCVEGCSA-N 1 0 305.809 2.490 10 0 DEAERO C[C@@H](C[NH+](C)C)Nc1ccccc1S(=O)(=O)C(F)(F)F ZINC000169022543 197732210 /nfs/dbraw/zinc/73/22/10/197732210.db2.gz XWRYVEHUQXNLQG-VIFPVBQESA-N 1 0 310.341 2.342 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2nnc(-c3ccccc3)n2C)C1 ZINC000187898945 282294406 /nfs/dbraw/zinc/29/44/06/282294406.db2.gz ULFMXWMLGQHMGP-KSSFIOAISA-N 1 0 314.433 2.465 10 0 DEAERO C[NH2+]Cc1cccc(-n2cc(I)cn2)c1 ZINC000070678141 539345762 /nfs/dbraw/zinc/34/57/62/539345762.db2.gz CHURRQIIWZCUNM-UHFFFAOYSA-N 1 0 313.142 2.196 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)c2cn3ccnc3s2)CC1 ZINC000188340405 282297940 /nfs/dbraw/zinc/29/79/40/282297940.db2.gz BUDJOUNNMSZCIM-UHFFFAOYSA-N 1 0 306.435 2.389 10 0 DEAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1coc(Br)c1 ZINC000077721770 539363995 /nfs/dbraw/zinc/36/39/95/539363995.db2.gz ABBCVZSEQDKSHD-WDEREUQCSA-N 1 0 313.195 2.399 10 0 DEAERO CN(CC1(CO)CC1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000187196503 529853650 /nfs/dbraw/zinc/85/36/50/529853650.db2.gz VKYQRIINCMGUTH-UHFFFAOYSA-N 1 0 311.470 2.057 10 0 DEAERO CC(C)Oc1cccnc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000079529083 539372398 /nfs/dbraw/zinc/37/23/98/539372398.db2.gz ALJDPKMYDAWISC-UHFFFAOYSA-N 1 0 303.406 2.225 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)NCc1cc(Br)cs1 ZINC000084383911 539395014 /nfs/dbraw/zinc/39/50/14/539395014.db2.gz ICCKBIDJVUODMF-MRVPVSSYSA-N 1 0 303.225 2.126 10 0 DEAERO CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178085122 282351936 /nfs/dbraw/zinc/35/19/36/282351936.db2.gz PXBFNQAHBCZMGN-AWEZNQCLSA-N 1 0 323.481 2.014 10 0 DEAERO CCN1CC[NH+](CCCCNC(=O)NCCC2CCCC2)CC1 ZINC000193764888 282356172 /nfs/dbraw/zinc/35/61/72/282356172.db2.gz XIZCNOROELTEAL-UHFFFAOYSA-N 1 0 324.513 2.284 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@H]3CCCCNC3=O)CC[C@@H]21 ZINC000328877156 530058322 /nfs/dbraw/zinc/05/83/22/530058322.db2.gz TUCZJKHVPNBZMN-KFWWJZLASA-N 1 0 307.438 2.076 10 0 DEAERO Cc1nn(C)c(C[NH2+]CC[C@H]2CCCO2)c1Br ZINC000089232038 539410777 /nfs/dbraw/zinc/41/07/77/539410777.db2.gz HWDMJAGOYFLONW-SNVBAGLBSA-N 1 0 302.216 2.150 10 0 DEAERO CNC(=O)c1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000089454871 539410942 /nfs/dbraw/zinc/41/09/42/539410942.db2.gz BBLXSBOCBIRQQY-GXSJLCMTSA-N 1 0 309.797 2.013 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000089744043 539413169 /nfs/dbraw/zinc/41/31/69/539413169.db2.gz LNJBHTAMEVHSJJ-ZIAGYGMSSA-N 1 0 308.447 2.255 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1ccc(C)cc1 ZINC000245427097 282387256 /nfs/dbraw/zinc/38/72/56/282387256.db2.gz LSBWIKOSUXXHMX-MSOLQXFVSA-N 1 0 315.461 2.170 10 0 DEAERO Cn1ncc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1-c1ccccc1 ZINC000333789364 282966164 /nfs/dbraw/zinc/96/61/64/282966164.db2.gz FYTLYDCVEAPLRO-UHFFFAOYSA-N 1 0 310.401 2.055 10 0 DEAERO CC(=O)c1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123282862 539464849 /nfs/dbraw/zinc/46/48/49/539464849.db2.gz YUKLQFALPBYEIY-CXAGYDPISA-N 1 0 317.433 2.242 10 0 DEAERO CCc1cnc(CCNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)s1 ZINC000126316384 539477171 /nfs/dbraw/zinc/47/71/71/539477171.db2.gz FJXXEGHZVGPUGF-RYUDHWBXSA-N 1 0 322.478 2.172 10 0 DEAERO COc1ccc(Br)cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111271900 185571019 /nfs/dbraw/zinc/57/10/19/185571019.db2.gz AAXKSWXLWGQNGF-PSASIEDQSA-N 1 0 313.195 2.252 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(Sc2n[nH]c(=O)n2C)c(F)c1 ZINC000111566611 185613762 /nfs/dbraw/zinc/61/37/62/185613762.db2.gz WMRAIDRZZOEGIL-UHFFFAOYSA-N 1 0 314.361 2.037 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)s1 ZINC000147369479 539521786 /nfs/dbraw/zinc/52/17/86/539521786.db2.gz WHLCAOGHTZCGIL-ZYHUDNBSSA-N 1 0 302.465 2.058 10 0 DEAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1c1ccccc1S(C)(=O)=O ZINC000111718247 185630436 /nfs/dbraw/zinc/63/04/36/185630436.db2.gz QOPSBGARTPQZDD-UONOGXRCSA-N 1 0 310.463 2.447 10 0 DEAERO NC(=O)c1c(Cl)cccc1NCCCOC1CC[NH2+]CC1 ZINC000111792598 185637738 /nfs/dbraw/zinc/63/77/38/185637738.db2.gz ITLSYVWTODTPRU-UHFFFAOYSA-N 1 0 311.813 2.010 10 0 DEAERO C/C(=C\c1ccc(C)cc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000181977347 199370127 /nfs/dbraw/zinc/37/01/27/199370127.db2.gz YEURYDLGNDYPMT-GSPCDJLXSA-N 1 0 302.418 2.187 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000279684042 215059969 /nfs/dbraw/zinc/05/99/69/215059969.db2.gz HNFZRJPKXNYRKZ-UHFFFAOYSA-N 1 0 315.417 2.026 10 0 DEAERO C[C@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000333825440 282973337 /nfs/dbraw/zinc/97/33/37/282973337.db2.gz LNTVDFULSDSPLZ-RCBQFDQVSA-N 1 0 321.396 2.049 10 0 DEAERO C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279751246 215114234 /nfs/dbraw/zinc/11/42/34/215114234.db2.gz QCJNJWDBTZNRAW-STQMWFEESA-N 1 0 308.426 2.155 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)NC[C@@H](O)c1ccc(Cl)s1 ZINC000236675564 201959313 /nfs/dbraw/zinc/95/93/13/201959313.db2.gz 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CCN(C[C@@H]1CC[N@H+](Cc2cncnc2)C1)CC(F)(F)F ZINC000180046516 539644098 /nfs/dbraw/zinc/64/40/98/539644098.db2.gz BMMVYWSKAZKOAG-LBPRGKRZSA-N 1 0 302.344 2.183 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3nccc3[nH]2)cc1F ZINC000181339508 539650997 /nfs/dbraw/zinc/65/09/97/539650997.db2.gz AIECTKFUTLBFRY-NSHDSACASA-N 1 0 300.337 2.321 10 0 DEAERO CC1CCC(CCNS(=O)(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000070549795 190906051 /nfs/dbraw/zinc/90/60/51/190906051.db2.gz QMHDSTZQSLLLRJ-NRXISQOPSA-N 1 0 302.484 2.122 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CC[C@H](CC)C2)CC1 ZINC000080456482 192159237 /nfs/dbraw/zinc/15/92/37/192159237.db2.gz NNSHFPGCZZGYKY-ZFWWWQNUSA-N 1 0 302.484 2.359 10 0 DEAERO COCCOCC[C@@H]([NH3+])Cc1ccccc1Br ZINC000070482428 190901111 /nfs/dbraw/zinc/90/11/11/190901111.db2.gz KDLUSZJKNMVCOH-GFCCVEGCSA-N 1 0 302.212 2.372 10 0 DEAERO CCO[C@H](C)C[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000130014414 185928742 /nfs/dbraw/zinc/92/87/42/185928742.db2.gz ZPCISWHELNMTII-CHWSQXEVSA-N 1 0 301.814 2.403 10 0 DEAERO C[NH2+]CCCCCCn1cc(I)cn1 ZINC000070678861 190911185 /nfs/dbraw/zinc/91/11/85/190911185.db2.gz JDJVLLQMAYCMBY-UHFFFAOYSA-N 1 0 307.179 2.268 10 0 DEAERO C[C@H]([NH3+])c1ccccc1-n1cc(I)cn1 ZINC000070677885 190911392 /nfs/dbraw/zinc/91/13/92/190911392.db2.gz SNADUZCCAXHCQZ-QMMMGPOBSA-N 1 0 313.142 2.497 10 0 DEAERO NC(=[NH2+])SCc1nnc(-c2ccc(Br)o2)o1 ZINC000083589266 192374054 /nfs/dbraw/zinc/37/40/54/192374054.db2.gz MLFZAXJQHVGULV-UHFFFAOYSA-N 1 0 303.141 2.219 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Br)cc2F)C1 ZINC000071139974 190935803 /nfs/dbraw/zinc/93/58/03/190935803.db2.gz ANOKMQKHGSDIFL-JTQLQIEISA-N 1 0 315.186 2.364 10 0 DEAERO Cc1cnc([C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C2CC2)s1 ZINC000185306365 539671075 /nfs/dbraw/zinc/67/10/75/539671075.db2.gz RFJAZWQZDGZHTQ-SKDRFNHKSA-N 1 0 302.465 2.173 10 0 DEAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCC2CC2)C1 ZINC000190720599 539696192 /nfs/dbraw/zinc/69/61/92/539696192.db2.gz PFCURXNOVOALMY-KRWDZBQOSA-N 1 0 316.449 2.345 10 0 DEAERO Cc1ccc(CN(C(=O)C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)C2CC2)o1 ZINC000191137327 539699258 /nfs/dbraw/zinc/69/92/58/539699258.db2.gz ZQTFNXYGAZTWFT-STQMWFEESA-N 1 0 320.433 2.313 10 0 DEAERO CCc1nnsc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000192933767 539710403 /nfs/dbraw/zinc/71/04/03/539710403.db2.gz BBXDJMPIHPNDIT-CYBMUJFWSA-N 1 0 304.419 2.133 10 0 DEAERO C[C@H](CCc1ccc(O)cc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170827718 197831971 /nfs/dbraw/zinc/83/19/71/197831971.db2.gz GKZLHZBKGBUCRO-HIFRSBDPSA-N 1 0 305.422 2.059 10 0 DEAERO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC([NH+](C)C)CC1 ZINC000193814181 539715173 /nfs/dbraw/zinc/71/51/73/539715173.db2.gz GHZNOWCMXHFVMQ-LSDHHAIUSA-N 1 0 315.461 2.379 10 0 DEAERO CC[C@H](C)NC(=O)COc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398444 190966345 /nfs/dbraw/zinc/96/63/45/190966345.db2.gz XJKJLPCSDJAIRH-VIFPVBQESA-N 1 0 304.312 2.458 10 0 DEAERO CC[NH2+]CCOCc1ccc(I)cc1 ZINC000083849801 192386800 /nfs/dbraw/zinc/38/68/00/192386800.db2.gz ARORAFOHERZMEG-UHFFFAOYSA-N 1 0 305.159 2.417 10 0 DEAERO Cc1sc(Br)cc1[C@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000084006096 192395845 /nfs/dbraw/zinc/39/58/45/192395845.db2.gz UKWKGDRVTCVDFX-OIBJUYFYSA-N 1 0 324.265 2.254 10 0 DEAERO CC(=O)N1CC(C)(C)Oc2ccc([C@@H](O)[C@@H]3CCCC[NH2+]3)cc21 ZINC000071664559 191002159 /nfs/dbraw/zinc/00/21/59/191002159.db2.gz UYMFUUXIJGDLLS-WMLDXEAASA-N 1 0 318.417 2.386 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)Cc2csc([C@@H](C)[NH3+])n2)cc1 ZINC000071696102 191008349 /nfs/dbraw/zinc/00/83/49/191008349.db2.gz QASXUVFNMMFPPU-SECBINFHSA-N 1 0 318.402 2.302 10 0 DEAERO COc1cc2c(c(OC)c1)[C@@H](C[NH3+])N(Cc1nc(C)cs1)C2 ZINC000071683947 191008433 /nfs/dbraw/zinc/00/84/33/191008433.db2.gz MNCBQDZCHDVZQM-CYBMUJFWSA-N 1 0 319.430 2.484 10 0 DEAERO CC[C@@H](C)CN(C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138469434 186017236 /nfs/dbraw/zinc/01/72/36/186017236.db2.gz GIPDWIPJCKQYSX-SNVBAGLBSA-N 1 0 320.405 2.351 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CCC[C@@H]2C)c1 ZINC000138571912 186017768 /nfs/dbraw/zinc/01/77/68/186017768.db2.gz KDKUUOQTYYZSST-JTQLQIEISA-N 1 0 318.389 2.247 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)NC(C)C)c1 ZINC000138604691 186017785 /nfs/dbraw/zinc/01/77/85/186017785.db2.gz JITOUJMFDHIBJO-UHFFFAOYSA-N 1 0 306.378 2.151 10 0 DEAERO COc1cc(C[C@@H]([NH3+])c2ccccc2Br)ncn1 ZINC000138645549 186018568 /nfs/dbraw/zinc/01/85/68/186018568.db2.gz VCJFYUFBMQQIRE-GFCCVEGCSA-N 1 0 308.179 2.490 10 0 DEAERO CC(C)[C@H]1CCN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1 ZINC000139292841 186020590 /nfs/dbraw/zinc/02/05/90/186020590.db2.gz SQSXTDVKWPGZIN-NSHDSACASA-N 1 0 318.389 2.090 10 0 DEAERO CCc1nc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cs1 ZINC000139495251 186022706 /nfs/dbraw/zinc/02/27/06/186022706.db2.gz WRVCDWWUUIJGNT-TZMCWYRMSA-N 1 0 322.478 2.331 10 0 DEAERO CC[C@@H]1N[C@@H](c2ccc(C)s2)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000142854363 186032266 /nfs/dbraw/zinc/03/22/66/186032266.db2.gz LWLGFDJXZBZOHB-VNHYZAJKSA-N 1 0 307.463 2.360 10 0 DEAERO CC[C@@H]1N[C@H](c2ccc(C)s2)N(C2CC[NH+](C)CC2)C1=O ZINC000141226258 186029250 /nfs/dbraw/zinc/02/92/50/186029250.db2.gz KKJKQLZNIJYCJU-ZFWWWQNUSA-N 1 0 307.463 2.360 10 0 DEAERO CC[C@H]1N[C@H](c2ccc(C)s2)N(C2CC[NH+](C)CC2)C1=O ZINC000141226065 186029344 /nfs/dbraw/zinc/02/93/44/186029344.db2.gz KKJKQLZNIJYCJU-HIFRSBDPSA-N 1 0 307.463 2.360 10 0 DEAERO CC(C)[C@@H]1N[C@@H](c2cccs2)N(C2CC[NH+](C)CC2)C1=O ZINC000141216230 186029432 /nfs/dbraw/zinc/02/94/32/186029432.db2.gz MVJSHPJQUVDKGF-LSDHHAIUSA-N 1 0 307.463 2.297 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)s1 ZINC000147369277 186039489 /nfs/dbraw/zinc/03/94/89/186039489.db2.gz WHLCAOGHTZCGIL-PWSUYJOCSA-N 1 0 302.465 2.058 10 0 DEAERO [NH3+][C@@H](C(=O)Nc1ccncc1Br)c1ccccc1 ZINC000147534295 186040048 /nfs/dbraw/zinc/04/00/48/186040048.db2.gz FBBSAGWKYVEFQV-GFCCVEGCSA-N 1 0 306.163 2.483 10 0 DEAERO [NH3+]Cc1ccccc1CC(=O)Nc1ccncc1Br ZINC000147527998 186040121 /nfs/dbraw/zinc/04/01/21/186040121.db2.gz ZFACGDORVWAIKZ-UHFFFAOYSA-N 1 0 320.190 2.484 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(-n4cccc4)c(F)c3)C[C@H]12 ZINC000248652999 539774822 /nfs/dbraw/zinc/77/48/22/539774822.db2.gz VNIFWVUXNFTRGZ-IJEWVQPXSA-N 1 0 313.376 2.426 10 0 DEAERO Nc1ccc(SC[C@H]2C[NH2+]CCO2)c(Br)c1 ZINC000148265119 186044022 /nfs/dbraw/zinc/04/40/22/186044022.db2.gz ZEAQAXRDHLYFCL-SECBINFHSA-N 1 0 303.225 2.112 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NN2CCCCC2)cc1 ZINC000148539431 186044806 /nfs/dbraw/zinc/04/48/06/186044806.db2.gz GFAQLJFCELVMNI-CYBMUJFWSA-N 1 0 311.451 2.036 10 0 DEAERO C[C@@H](O)C(C)(C)[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000144873943 186035758 /nfs/dbraw/zinc/03/57/58/186035758.db2.gz JXXTXKLTATYWMJ-SECBINFHSA-N 1 0 304.312 2.436 10 0 DEAERO C[C@@H](O)C(C)(C)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000144927663 186035857 /nfs/dbraw/zinc/03/58/57/186035857.db2.gz SPNYNXIELCSDMK-SECBINFHSA-N 1 0 315.211 2.137 10 0 DEAERO C[C@@H](O)C(C)(C)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000144954339 186036758 /nfs/dbraw/zinc/03/67/58/186036758.db2.gz UNWYDFIBPQHPSB-BXKDBHETSA-N 1 0 302.212 2.232 10 0 DEAERO Cc1ccc([C@@H]2NC3(CC3)C(=O)N2[C@H](C)CC[NH+](C)C)s1 ZINC000145733141 186037605 /nfs/dbraw/zinc/03/76/05/186037605.db2.gz SPCAGNSBIYCZCR-BXUZGUMPSA-N 1 0 307.463 2.360 10 0 DEAERO COc1ccc(CC[NH3+])c(OCc2cn3ccsc3n2)c1 ZINC000149281805 186048938 /nfs/dbraw/zinc/04/89/38/186048938.db2.gz VLVWIDCZJILIJZ-UHFFFAOYSA-N 1 0 303.387 2.485 10 0 DEAERO Clc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)nn1 ZINC000149302441 186049147 /nfs/dbraw/zinc/04/91/47/186049147.db2.gz YDIAMEPHDLLPNG-BDAKNGLRSA-N 1 0 303.193 2.059 10 0 DEAERO C[C@H](CS(=O)(=O)NC[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000149593329 186052104 /nfs/dbraw/zinc/05/21/04/186052104.db2.gz DDMWEYZBAQTAKB-KBMXLJTQSA-N 1 0 310.463 2.227 10 0 DEAERO O=C1C[C@@H]([NH2+]C[C@H]2CCCS2)C(=O)N1C1CCCCCC1 ZINC000149831991 186053213 /nfs/dbraw/zinc/05/32/13/186053213.db2.gz OIRIPVGWANOYJL-ZIAGYGMSSA-N 1 0 310.463 2.322 10 0 DEAERO CC1(C)CCC[C@@H]([NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000149908293 186053611 /nfs/dbraw/zinc/05/36/11/186053611.db2.gz CMQSKLCABNSJRQ-UONOGXRCSA-N 1 0 302.484 2.216 10 0 DEAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000488928344 535119801 /nfs/dbraw/zinc/11/98/01/535119801.db2.gz GIDPHJKQRKCTSP-KBPBESRZSA-N 1 0 318.408 2.474 10 0 DEAERO Cc1cc(C)cc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000150788020 186065878 /nfs/dbraw/zinc/06/58/78/186065878.db2.gz YMKZLNWPQTYKJB-HOCLYGCPSA-N 1 0 317.433 2.087 10 0 DEAERO Cc1nn(C)c2sc([C@H](C)[NH2+][C@H]3CCC(=O)N[C@H]3C)cc12 ZINC000287142588 219339886 /nfs/dbraw/zinc/33/98/86/219339886.db2.gz SIDVWRWAPDUCAD-NHCYSSNCSA-N 1 0 306.435 2.261 10 0 DEAERO C[C@@H](NC(=O)c1coc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000269160095 539796722 /nfs/dbraw/zinc/79/67/22/539796722.db2.gz ARWSTNJAJRCAMV-BDAKNGLRSA-N 1 0 301.184 2.160 10 0 DEAERO C[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C(=O)OC(C)(C)C ZINC000152628561 186091328 /nfs/dbraw/zinc/09/13/28/186091328.db2.gz LDDVFALIJVNVDV-HIFRSBDPSA-N 1 0 320.433 2.006 10 0 DEAERO Cc1ccc([C@@H](C[NH3+])N2CCCOCC2)c(Br)c1 ZINC000164074477 186148073 /nfs/dbraw/zinc/14/80/73/186148073.db2.gz DFHYDYZWLTUYRV-CQSZACIVSA-N 1 0 313.239 2.480 10 0 DEAERO O=C(NCC1CC[NH2+]CC1)c1cccc(F)c1Br ZINC000155978203 186124675 /nfs/dbraw/zinc/12/46/75/186124675.db2.gz MEWWCRXFSWIKEO-UHFFFAOYSA-N 1 0 315.186 2.318 10 0 DEAERO COc1cc(C[NH2+]C[C@H](C)[S@](C)=O)cc(Cl)c1OC ZINC000159692352 186135653 /nfs/dbraw/zinc/13/56/53/186135653.db2.gz SLNMNGBDUSLLQT-ZRNGKTOUSA-N 1 0 305.827 2.214 10 0 DEAERO CC1(C)CN(CC[C@H]([NH3+])c2cccc(Cl)c2)C[C@@H](CO)O1 ZINC000163921737 186142268 /nfs/dbraw/zinc/14/22/68/186142268.db2.gz AJLXPYMQXGNZGV-GJZGRUSLSA-N 1 0 312.841 2.202 10 0 DEAERO C[NH2+][C@H](c1cccc2cnccc21)[C@@H]1CCCCS1(=O)=O ZINC000164322582 186156195 /nfs/dbraw/zinc/15/61/95/186156195.db2.gz PXVTUQPLQLNBHK-JKSUJKDBSA-N 1 0 304.415 2.463 10 0 DEAERO CCO[C@@H](C)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000164321615 186156204 /nfs/dbraw/zinc/15/62/04/186156204.db2.gz RIEBYGLTYKOPJS-GWCFXTLKSA-N 1 0 301.383 2.059 10 0 DEAERO COc1ccc(NC(=O)C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)cc1 ZINC000188021163 186245199 /nfs/dbraw/zinc/24/51/99/186245199.db2.gz IHYLILMJZONJCP-GUYCJALGSA-N 1 0 306.406 2.117 10 0 DEAERO COc1ccc(NC(=O)C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)cc1 ZINC000188021115 186245271 /nfs/dbraw/zinc/24/52/71/186245271.db2.gz IHYLILMJZONJCP-SUMWQHHRSA-N 1 0 306.406 2.117 10 0 DEAERO COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000171912673 198007193 /nfs/dbraw/zinc/00/71/93/198007193.db2.gz JKEANIWHARZXCJ-ZDUSSCGKSA-N 1 0 306.406 2.140 10 0 DEAERO C[C@H](NC(=O)[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000172804499 198152451 /nfs/dbraw/zinc/15/24/51/198152451.db2.gz MABXUBNNZJBTOU-XYJFISCASA-N 1 0 315.461 2.422 10 0 DEAERO COC(=O)c1cc2cc(CN3CC[N@@H+]4CCC[C@@H]4C3)ccc2o1 ZINC000172794981 198150271 /nfs/dbraw/zinc/15/02/71/198150271.db2.gz SKXLNIMECAXXDE-OAHLLOKOSA-N 1 0 314.385 2.499 10 0 DEAERO Cc1nc(C)c(Br)c(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000323223816 539905485 /nfs/dbraw/zinc/90/54/85/539905485.db2.gz WBEMLPFTZKPGFG-LLVKDONJSA-N 1 0 313.243 2.244 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C(=O)N1CCNC1=O ZINC000072789114 191229173 /nfs/dbraw/zinc/22/91/73/191229173.db2.gz KYHJSGQDUVBPQR-QWHCGFSZSA-N 1 0 315.417 2.156 10 0 DEAERO COc1ccc(Cl)c(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000333186937 539951271 /nfs/dbraw/zinc/95/12/71/539951271.db2.gz RAFGUHUWNSKZRH-WDEREUQCSA-N 1 0 309.797 2.422 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000173279105 198205798 /nfs/dbraw/zinc/20/57/98/198205798.db2.gz ZJOSJJFAVQJHJE-OLZOCXBDSA-N 1 0 314.426 2.237 10 0 DEAERO CCC[C@H](C)CC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173411626 198212770 /nfs/dbraw/zinc/21/27/70/198212770.db2.gz PRMQXDSNBYXGGB-KBPBESRZSA-N 1 0 319.453 2.430 10 0 DEAERO COc1nccc2cc(NC(=O)N3CCC[C@H]([NH3+])C3)ccc21 ZINC000333396974 539957959 /nfs/dbraw/zinc/95/79/59/539957959.db2.gz YEVGIGTWTOBABC-LBPRGKRZSA-N 1 0 300.362 2.198 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)NCCc2cccc(F)c2)CC[N@@H+]1C ZINC000173541696 198225508 /nfs/dbraw/zinc/22/55/08/198225508.db2.gz HOULPRGPKIUSMX-XJKSGUPXSA-N 1 0 307.413 2.492 10 0 DEAERO O=C(NCCCOc1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173570659 198228723 /nfs/dbraw/zinc/22/87/23/198228723.db2.gz DCYABIYENGXLMS-INIZCTEOSA-N 1 0 315.417 2.111 10 0 DEAERO O=C(NC[C@H]1CC[NH2+]C1)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000333632742 539966484 /nfs/dbraw/zinc/96/64/84/539966484.db2.gz STWIMWCQKVODLS-BONVTDFDSA-N 1 0 309.360 2.251 10 0 DEAERO COCC[N@@H+]1CCN(CCOc2ccc(SC)cc2)C[C@@H]1C ZINC000173678695 198240109 /nfs/dbraw/zinc/24/01/09/198240109.db2.gz SASQSSYDRZIDES-HNNXBMFYSA-N 1 0 324.490 2.440 10 0 DEAERO CC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000173682685 198240157 /nfs/dbraw/zinc/24/01/57/198240157.db2.gz BGWHMOJPYJAPDJ-RTBURBONSA-N 1 0 320.477 2.135 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000173892012 198265076 /nfs/dbraw/zinc/26/50/76/198265076.db2.gz WQXTWUVMHUCORK-JSGCOSHPSA-N 1 0 319.405 2.039 10 0 DEAERO C[C@H](Cc1cccs1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173899478 198265649 /nfs/dbraw/zinc/26/56/49/198265649.db2.gz KOAJDLLGRDEKEN-ZIAGYGMSSA-N 1 0 305.447 2.335 10 0 DEAERO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)c2)n1 ZINC000333880866 539974894 /nfs/dbraw/zinc/97/48/94/539974894.db2.gz DLFLYRJQLDQPRM-BFHYXJOUSA-N 1 0 313.405 2.429 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(CCCOc2c(C)cccc2C)CC1 ZINC000174079076 198289422 /nfs/dbraw/zinc/28/94/22/198289422.db2.gz ACUPNOHNSAXKNZ-GOSISDBHSA-N 1 0 320.477 2.461 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(O)c1 ZINC000174197594 198304471 /nfs/dbraw/zinc/30/44/71/198304471.db2.gz UZVMYGWWJNNSER-LSDHHAIUSA-N 1 0 303.406 2.160 10 0 DEAERO C[C@@H](CCOc1ccccc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000174295809 198316579 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Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3C[C@H]3C)CC2)c1 ZINC000073327901 191305581 /nfs/dbraw/zinc/30/55/81/191305581.db2.gz OEDREVSACVVDQN-WBVHZDCISA-N 1 0 301.434 2.032 10 0 DEAERO O=C(C1CC[NH2+]CC1)N1CCC(CCOc2cccnc2)CC1 ZINC000065181187 354680216 /nfs/dbraw/zinc/68/02/16/354680216.db2.gz DCLYPGAGRFRKMG-UHFFFAOYSA-N 1 0 317.433 2.089 10 0 DEAERO CC[NH+]1CCC(NC(=O)c2cc3c(cc2O)CCCC3)CC1 ZINC000068541347 354819225 /nfs/dbraw/zinc/81/92/25/354819225.db2.gz CUQCAOQWDDBZBZ-UHFFFAOYSA-N 1 0 302.418 2.485 10 0 DEAERO CN(CC1C[NH+](C)C1)C(=O)c1cc(Br)ccc1F ZINC000618196793 363412142 /nfs/dbraw/zinc/41/21/42/363412142.db2.gz NAQJCQAFTOWPQT-UHFFFAOYSA-N 1 0 315.186 2.222 10 0 DEAERO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000076150156 355130323 /nfs/dbraw/zinc/13/03/23/355130323.db2.gz RUUJALDWOTUIMR-HZPDHXFCSA-N 1 0 323.481 2.016 10 0 DEAERO COc1ccc(C(=O)N2CC[NH+]([C@H](C)C3CC3)CC2)cc1OC ZINC000074766687 191356945 /nfs/dbraw/zinc/35/69/45/191356945.db2.gz XBHGBVDXYWNYNE-CYBMUJFWSA-N 1 0 318.417 2.260 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccc(Br)o1 ZINC000384259555 540125538 /nfs/dbraw/zinc/12/55/38/540125538.db2.gz PABDXWJTFZATTL-KOLCDFICSA-N 1 0 315.211 2.389 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1cc(F)c(Cl)cc1F)C(F)(F)F ZINC000401748460 540142669 /nfs/dbraw/zinc/14/26/69/540142669.db2.gz WIVXNXABQNUFPZ-MRVPVSSYSA-N 1 0 302.630 2.238 10 0 DEAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000090796361 355566861 /nfs/dbraw/zinc/56/68/61/355566861.db2.gz MWBQIEFJUXJOBV-HZSPNIEDSA-N 1 0 302.484 2.072 10 0 DEAERO O=C1[C@H]([NH2+][C@H]2CCCc3sccc32)CCN1C1CCOCC1 ZINC000367412117 283113782 /nfs/dbraw/zinc/11/37/82/283113782.db2.gz GJNWUIYIKVSTKM-LSDHHAIUSA-N 1 0 320.458 2.495 10 0 DEAERO CC1(C)O[C@H]2O[C@H](C[N@@H+]3CCC[C@H]3c3ccccc3)[C@@H](O)[C@H]2O1 ZINC000106385021 355722083 /nfs/dbraw/zinc/72/20/83/355722083.db2.gz FXRSTNMDEDRDHF-MZBWOGCUSA-N 1 0 319.401 2.061 10 0 DEAERO CCOc1cc(F)c(Cn2nc(C(N)=[NH2+])c(C)c2OC)c(F)c1 ZINC000144080740 355901202 /nfs/dbraw/zinc/90/12/02/355901202.db2.gz IECFUOUDDYZPMO-UHFFFAOYSA-N 1 0 324.331 2.209 10 0 DEAERO CC(C)[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1nc(C2CC2)no1 ZINC000170812625 355994344 /nfs/dbraw/zinc/99/43/44/355994344.db2.gz MWCLEZULBQLPGN-STQMWFEESA-N 1 0 321.425 2.038 10 0 DEAERO CC(C)Oc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000179085947 356014048 /nfs/dbraw/zinc/01/40/48/356014048.db2.gz XMDKUOKXXWFTHS-UONOGXRCSA-N 1 0 303.406 2.178 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000179166529 356015933 /nfs/dbraw/zinc/01/59/33/356015933.db2.gz PULVOKQVKSVPSL-UKRRQHHQSA-N 1 0 321.469 2.209 10 0 DEAERO CC[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179468449 356026672 /nfs/dbraw/zinc/02/66/72/356026672.db2.gz CQDUFDVWRIWYTH-BRWVUGGUSA-N 1 0 317.433 2.252 10 0 DEAERO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)NCCN1CCc2ccccc21 ZINC000183068007 356158531 /nfs/dbraw/zinc/15/85/31/356158531.db2.gz SIZSNEGPMQEQRA-CABCVRRESA-N 1 0 303.450 2.190 10 0 DEAERO C[NH2+]Cc1ccnn1Cc1ccc(OC)c(Br)c1 ZINC000080082368 191999697 /nfs/dbraw/zinc/99/96/97/191999697.db2.gz XYYVMGNSPCOMQP-UHFFFAOYSA-N 1 0 310.195 2.422 10 0 DEAERO COC[C@H](C)C[NH+]1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000189549620 356215885 /nfs/dbraw/zinc/21/58/85/356215885.db2.gz CPWAVVRRDIGNTN-OAHLLOKOSA-N 1 0 322.449 2.104 10 0 DEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)N[C@@H](C)c2nccs2)cc1 ZINC000080314419 192023357 /nfs/dbraw/zinc/02/33/57/192023357.db2.gz JNFRRLYWVHXVFD-UWVGGRQHSA-N 1 0 311.432 2.202 10 0 DEAERO C[C@H]([NH2+]CCCn1ccnn1)c1cnn(Cc2ccccc2)c1 ZINC000184266116 356189493 /nfs/dbraw/zinc/18/94/93/356189493.db2.gz VFWNQMHIMBEMJN-HNNXBMFYSA-N 1 0 310.405 2.264 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCCNc2cccc(F)c2)C1 ZINC000184935391 356199573 /nfs/dbraw/zinc/19/95/73/356199573.db2.gz JDECZTQWWWUNKW-INIZCTEOSA-N 1 0 322.428 2.411 10 0 DEAERO C[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)[C@H]1COc2ccccc21 ZINC000185620489 356208021 /nfs/dbraw/zinc/20/80/21/356208021.db2.gz YGCGPOSJZZTGCU-XJKSGUPXSA-N 1 0 321.380 2.349 10 0 DEAERO CCn1c(C)nnc1CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693277 356209344 /nfs/dbraw/zinc/20/93/44/356209344.db2.gz IETQDATXFXFODV-DZGCQCFKSA-N 1 0 305.470 2.349 10 0 DEAERO C[C@H](NCc1nnc(C2CC2)n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666401 356209412 /nfs/dbraw/zinc/20/94/12/356209412.db2.gz DOXZFJZSXGAHNZ-ZFWWWQNUSA-N 1 0 317.481 2.435 10 0 DEAERO C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc21 ZINC000262323041 356341306 /nfs/dbraw/zinc/34/13/06/356341306.db2.gz WIYUVBIRIFFRKN-BMFZPTHFSA-N 1 0 301.434 2.071 10 0 DEAERO C[C@H]([NH2+]CCC(C)(C)O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400788591 283158416 /nfs/dbraw/zinc/15/84/16/283158416.db2.gz RGCUZTWJUHRWRU-QWHCGFSZSA-N 1 0 300.443 2.383 10 0 DEAERO [NH3+]Cc1ccc2ccc(F)c(I)c2n1 ZINC000300916701 356390310 /nfs/dbraw/zinc/39/03/10/356390310.db2.gz VKIHFNDPJYXVPY-UHFFFAOYSA-N 1 0 302.090 2.437 10 0 DEAERO [NH3+]CCC(=O)Nc1cc(I)ccc1Cl ZINC000300945077 356390417 /nfs/dbraw/zinc/39/04/17/356390417.db2.gz KPPZTHUTFUBSCE-UHFFFAOYSA-N 1 0 324.549 2.232 10 0 DEAERO CC1(C)[C@H](C[NH3+])[C@H]1c1ncc(I)s1 ZINC000306327859 356404090 /nfs/dbraw/zinc/40/40/90/356404090.db2.gz AOBDGCWMQZTBRT-VDTYLAMSSA-N 1 0 308.188 2.446 10 0 DEAERO [NH3+]Cc1ccc(C(F)(F)F)c(I)n1 ZINC000307007077 356405924 /nfs/dbraw/zinc/40/59/24/356405924.db2.gz GNNZPXHOLOBYAQ-UHFFFAOYSA-N 1 0 302.037 2.164 10 0 DEAERO c1cnc(N2CCC[C@H]([NH2+]Cc3cnc4ccccc4n3)C2)nc1 ZINC000324607562 356458213 /nfs/dbraw/zinc/45/82/13/356458213.db2.gz JJCXNYYHPPNECL-AWEZNQCLSA-N 1 0 320.400 2.178 10 0 DEAERO CCC[C@@H]([NH3+])[C@@H](CC)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533665 192285307 /nfs/dbraw/zinc/28/53/07/192285307.db2.gz BIKGKCJMZDOCOB-NXEZZACHSA-N 1 0 305.348 2.019 10 0 DEAERO CCC[NH2+]CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000236843242 202033755 /nfs/dbraw/zinc/03/37/55/202033755.db2.gz HPJCOHPYNFKIIF-DOMZBBRYSA-N 1 0 303.406 2.011 10 0 DEAERO CCOc1ccc(C(=O)N2CCC([NH2+]C)CC2)cc1OCC ZINC000236897107 202059754 /nfs/dbraw/zinc/05/97/54/202059754.db2.gz SFYOTTWBNUCQSW-UHFFFAOYSA-N 1 0 306.406 2.308 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)NCC(C)(C)[NH3+])cc1 ZINC000236937184 202080284 /nfs/dbraw/zinc/08/02/84/202080284.db2.gz DWHUWWXRTTYFIH-UHFFFAOYSA-N 1 0 306.406 2.292 10 0 DEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000236921061 202071553 /nfs/dbraw/zinc/07/15/53/202071553.db2.gz VXCYOZBWSKJFQB-DOMZBBRYSA-N 1 0 303.406 2.118 10 0 DEAERO CC[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H](C)CS(C)(=O)=O ZINC000086268199 192556948 /nfs/dbraw/zinc/55/69/48/192556948.db2.gz UDSDCEAAKOFBPY-IMJJTQAJSA-N 1 0 316.511 2.052 10 0 DEAERO CCN(Cc1ccccc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(C)=O ZINC000236982119 202106472 /nfs/dbraw/zinc/10/64/72/202106472.db2.gz XRNVMSHOMWQNKE-UKRRQHHQSA-N 1 0 303.406 2.121 10 0 DEAERO C[C@H]([NH2+]CCn1cncn1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386171514 356694469 /nfs/dbraw/zinc/69/44/69/356694469.db2.gz WNQNDUDRCMHRCB-UONOGXRCSA-N 1 0 323.441 2.046 10 0 DEAERO CC[C@H](C)CN(CC)c1nc(NN)[nH+]cc1Br ZINC000087893497 192643488 /nfs/dbraw/zinc/64/34/88/192643488.db2.gz VXJNCRCEWJAEAH-QMMMGPOBSA-N 1 0 302.220 2.397 10 0 DEAERO CCCCN(CC)S(=O)(=O)c1ccc(OCCC[NH3+])cc1 ZINC000088916415 192655894 /nfs/dbraw/zinc/65/58/94/192655894.db2.gz VJMFSWFRBDVREV-UHFFFAOYSA-N 1 0 314.451 2.225 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)s1 ZINC000088920287 192658287 /nfs/dbraw/zinc/65/82/87/192658287.db2.gz AKZQNBDLERZYHV-VXGBXAGGSA-N 1 0 316.492 2.177 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1F ZINC000088926579 192659558 /nfs/dbraw/zinc/65/95/58/192659558.db2.gz GRUQYDUODOBWNK-RYUDHWBXSA-N 1 0 314.426 2.497 10 0 DEAERO O=C(Nc1cnc([C@H]2C[NH2+]CCO2)nc1)c1ccc(Cl)cc1 ZINC000584592046 357289923 /nfs/dbraw/zinc/28/99/23/357289923.db2.gz KUQWGJLNMCSATN-CYBMUJFWSA-N 1 0 318.764 2.043 10 0 DEAERO O=C(NCc1cc(Cl)ccc1Br)[C@H]1CC[NH2+]C1 ZINC000584779024 357308043 /nfs/dbraw/zinc/30/80/43/357308043.db2.gz LDSHCYUUNGIPHR-QMMMGPOBSA-N 1 0 317.614 2.328 10 0 DEAERO CC(C)[NH2+]CCc1ccc(S(=O)(=O)N2CC[C@@H](C)C2)cc1 ZINC000088986109 192682806 /nfs/dbraw/zinc/68/28/06/192682806.db2.gz PQOGGUBTWJWMSY-CQSZACIVSA-N 1 0 310.463 2.258 10 0 DEAERO CCN(Cc1cccs1)S(=O)(=O)c1ccsc1C[NH3+] ZINC000088994100 192686813 /nfs/dbraw/zinc/68/68/13/192686813.db2.gz PYVDNZKEKQPWNY-UHFFFAOYSA-N 1 0 316.473 2.479 10 0 DEAERO CCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590716969 357591475 /nfs/dbraw/zinc/59/14/75/357591475.db2.gz OQBYRWPBZKZRBJ-HOTGVXAUSA-N 1 0 323.481 2.016 10 0 DEAERO C[NH+](C)CCn1cc(NC(=O)CNc2cccc(Cl)c2)cn1 ZINC000591078956 357671902 /nfs/dbraw/zinc/67/19/02/357671902.db2.gz XWBZTCQEKDWQKD-UHFFFAOYSA-N 1 0 321.812 2.149 10 0 DEAERO CCC[NH2+]CCCS(=O)(=O)N[C@H](C)c1sc(C)nc1C ZINC000088999364 192690940 /nfs/dbraw/zinc/69/09/40/192690940.db2.gz NTGPOCNRDNYFBW-LLVKDONJSA-N 1 0 319.496 2.130 10 0 DEAERO CC(C)(CN1CCCC1)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449768592 283279870 /nfs/dbraw/zinc/27/98/70/283279870.db2.gz GCEURQPDXMZKGO-UHFFFAOYSA-N 1 0 310.463 2.054 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000457434313 283297278 /nfs/dbraw/zinc/29/72/78/283297278.db2.gz HBWKXVUPUQRQPP-HZPDHXFCSA-N 1 0 316.401 2.138 10 0 DEAERO CC(C)CN1C[C@@H]2C[N@H+](CCc3ccccc3)CCN2C1=O ZINC000488750017 283304612 /nfs/dbraw/zinc/30/46/12/283304612.db2.gz MYRAOFLROFFSLQ-KRWDZBQOSA-N 1 0 301.434 2.307 10 0 DEAERO COCC[N@@H+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C[C@@H]1C ZINC000179509840 199047366 /nfs/dbraw/zinc/04/73/66/199047366.db2.gz IQJZUVSFXZMCHA-HNNXBMFYSA-N 1 0 314.433 2.229 10 0 DEAERO Cn1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000179816796 199084604 /nfs/dbraw/zinc/08/46/04/199084604.db2.gz RHSZUBLPGBFGFY-HNNXBMFYSA-N 1 0 310.401 2.007 10 0 DEAERO COC[C@@H]([NH2+][C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000179811990 199082929 /nfs/dbraw/zinc/08/29/29/199082929.db2.gz LZRYTXXULVSGBR-VXGBXAGGSA-N 1 0 322.413 2.203 10 0 DEAERO COCCC[C@@H](C)[NH2+][C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000179809958 199083657 /nfs/dbraw/zinc/08/36/57/199083657.db2.gz AIIOABZRUHLABR-VXGBXAGGSA-N 1 0 322.413 2.347 10 0 DEAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000180044964 199111479 /nfs/dbraw/zinc/11/14/79/199111479.db2.gz NMQYEBRFDVEDPT-GJZGRUSLSA-N 1 0 316.449 2.071 10 0 DEAERO C[C@@H]1C[N@H+](CC2=Cc3ccccc3OC2)C[C@@H]1N1CCOCC1 ZINC000180230496 199132815 /nfs/dbraw/zinc/13/28/15/199132815.db2.gz RBLDZNUEKZXJEF-QAPCUYQASA-N 1 0 314.429 2.115 10 0 DEAERO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)nn1-c1ccc(F)cc1 ZINC000180253459 199136944 /nfs/dbraw/zinc/13/69/44/199136944.db2.gz PQOQWFRFYWPCOU-HNNXBMFYSA-N 1 0 316.380 2.096 10 0 DEAERO O=C(NCCC[NH+]1CCCCC1)NCc1ccc(Cl)cn1 ZINC000180330730 199146502 /nfs/dbraw/zinc/14/65/02/199146502.db2.gz ULOSKDBBGXWBDD-UHFFFAOYSA-N 1 0 310.829 2.410 10 0 DEAERO C[C@@H](c1cnn(C)c1)N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000180446642 199160111 /nfs/dbraw/zinc/16/01/11/199160111.db2.gz GGGMDEVWHFAJFM-ZDUSSCGKSA-N 1 0 321.469 2.385 10 0 DEAERO C[C@H](c1cnn(C)c1)N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000180446663 199160654 /nfs/dbraw/zinc/16/06/54/199160654.db2.gz GGGMDEVWHFAJFM-CYBMUJFWSA-N 1 0 321.469 2.385 10 0 DEAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000180490585 199166159 /nfs/dbraw/zinc/16/61/59/199166159.db2.gz RJQNBVXBHLPOOF-KDOFPFPSSA-N 1 0 314.433 2.162 10 0 DEAERO Cc1cccc(CSCC(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000594451979 358275638 /nfs/dbraw/zinc/27/56/38/358275638.db2.gz VTUQYWQVCMACLV-LLVKDONJSA-N 1 0 306.353 2.234 10 0 DEAERO C[C@@H](CCCc1ccccc1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000180862676 199220399 /nfs/dbraw/zinc/22/03/99/199220399.db2.gz ZIYRQXBQVRNSHE-WMZOPIPTSA-N 1 0 318.461 2.434 10 0 DEAERO COc1c(C)ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000181161586 199258361 /nfs/dbraw/zinc/25/83/61/199258361.db2.gz GOLODIGTTLIQOR-CQSZACIVSA-N 1 0 321.421 2.106 10 0 DEAERO CN(c1cccc(F)c1)S(=O)(=O)c1ccsc1C[NH3+] ZINC000089021275 192700282 /nfs/dbraw/zinc/70/02/82/192700282.db2.gz GHMUXBJFRCOQDF-UHFFFAOYSA-N 1 0 300.380 2.171 10 0 DEAERO CC[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)NC[C@H](C)CC ZINC000089025790 192705679 /nfs/dbraw/zinc/70/56/79/192705679.db2.gz NHFAFNORTNZCHB-SNVBAGLBSA-N 1 0 302.440 2.330 10 0 DEAERO CC1(C)CCN(S(=O)(=O)c2ccc(CCC[NH3+])cc2)CC1 ZINC000089027062 192706359 /nfs/dbraw/zinc/70/63/59/192706359.db2.gz FDCJCSGGFPDDNL-UHFFFAOYSA-N 1 0 310.463 2.389 10 0 DEAERO CC1(C)CCN(S(=O)(=O)c2cc(C[NH3+])n(C3CC3)c2)CC1 ZINC000089027115 192706654 /nfs/dbraw/zinc/70/66/54/192706654.db2.gz YSVGVAFCFGJNES-UHFFFAOYSA-N 1 0 311.451 2.092 10 0 DEAERO Cc1nn(C)c(CN2CCC([NH+](C)C)CC2)c1Br ZINC000089232204 192746902 /nfs/dbraw/zinc/74/69/02/192746902.db2.gz QXCNJVZIMGCFIE-UHFFFAOYSA-N 1 0 315.259 2.017 10 0 DEAERO Cc1nn(C)c(COC[C@@H]2CCC[NH2+]C2)c1Br ZINC000089234899 192749511 /nfs/dbraw/zinc/74/95/11/192749511.db2.gz SKHDJMRHVVEBPM-SNVBAGLBSA-N 1 0 302.216 2.007 10 0 DEAERO CCC[NH2+]C[C@@H](Cc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000089254458 192751032 /nfs/dbraw/zinc/75/10/32/192751032.db2.gz FAFBSDGEIGLWOE-QWHCGFSZSA-N 1 0 316.492 2.045 10 0 DEAERO CCn1nc(C)c(Br)c1CN1CCC[C@H]([NH2+]C)C1 ZINC000089281898 192757878 /nfs/dbraw/zinc/75/78/78/192757878.db2.gz MHONCIMWBNXKHO-NSHDSACASA-N 1 0 315.259 2.158 10 0 DEAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089451877 192792573 /nfs/dbraw/zinc/79/25/73/192792573.db2.gz YFTXGWXWKXZDOE-ONGXEEELSA-N 1 0 310.781 2.440 10 0 DEAERO C[C@@](O)(C[N@@H+]1CCSC2(CCOCC2)C1)c1ccccc1 ZINC000186842351 200020450 /nfs/dbraw/zinc/02/04/50/200020450.db2.gz RUMRIDUFJCFHNJ-MRXNPFEDSA-N 1 0 307.459 2.492 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000187483157 200118589 /nfs/dbraw/zinc/11/85/89/200118589.db2.gz HYWLNAKERHACBX-YDHLFZDLSA-N 1 0 320.437 2.133 10 0 DEAERO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000187395619 200106368 /nfs/dbraw/zinc/10/63/68/200106368.db2.gz BKFAXNIFYCXCNB-SJORKVTESA-N 1 0 324.490 2.125 10 0 DEAERO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000187731874 200150293 /nfs/dbraw/zinc/15/02/93/200150293.db2.gz GSJJIZUFKYCPHU-SWLSCSKDSA-N 1 0 317.389 2.186 10 0 DEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)CC2 ZINC000187772847 200154882 /nfs/dbraw/zinc/15/48/82/200154882.db2.gz JNDUOVUGJMCWEH-UKRRQHHQSA-N 1 0 314.437 2.191 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000187923865 200177271 /nfs/dbraw/zinc/17/72/71/200177271.db2.gz FRTGOALJEYEQDQ-RDTXWAMCSA-N 1 0 322.424 2.267 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N2CCc3ccccc32)C1 ZINC000187958495 200183297 /nfs/dbraw/zinc/18/32/97/200183297.db2.gz UYHDTIQKFZNVBK-KBXCAEBGSA-N 1 0 302.418 2.059 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N2CCc3ccccc3C2)C1 ZINC000187902899 200173934 /nfs/dbraw/zinc/17/39/34/200173934.db2.gz HKSHTXJNCVOVGP-DNVCBOLYSA-N 1 0 316.445 2.054 10 0 DEAERO CO[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)c(C)c2)CC[C@@H]1C ZINC000188317616 200226685 /nfs/dbraw/zinc/22/66/85/200226685.db2.gz WQZZPWWUQUQXLX-SUMWQHHRSA-N 1 0 300.406 2.433 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC000188446245 200248540 /nfs/dbraw/zinc/24/85/40/200248540.db2.gz BQJYUIOYNSTWHG-UHFFFAOYSA-N 1 0 308.856 2.082 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1C ZINC000188646794 200280777 /nfs/dbraw/zinc/28/07/77/200280777.db2.gz HICAZQLXUUOISK-SJCJKPOMSA-N 1 0 317.433 2.412 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cnn(C)c1 ZINC000189032615 200338138 /nfs/dbraw/zinc/33/81/38/200338138.db2.gz KERCKKAVMSQRRB-MLGOLLRUSA-N 1 0 316.380 2.011 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1csc(Cl)c1 ZINC000189113713 200350468 /nfs/dbraw/zinc/35/04/68/200350468.db2.gz VIXDFFVLWAIRML-UHFFFAOYSA-N 1 0 302.827 2.244 10 0 DEAERO COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000189354062 200386549 /nfs/dbraw/zinc/38/65/49/200386549.db2.gz ABLUWMJKIUHNQM-ZQIUZPCESA-N 1 0 320.433 2.057 10 0 DEAERO CO[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(F)cc2)CC[C@H]1C ZINC000189368004 200389136 /nfs/dbraw/zinc/38/91/36/200389136.db2.gz LMAUMWBGEZPNGT-CJNGLKHVSA-N 1 0 308.397 2.141 10 0 DEAERO CO[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(F)cc2)CC[C@@H]1C ZINC000189368027 200389302 /nfs/dbraw/zinc/38/93/02/200389302.db2.gz LMAUMWBGEZPNGT-BBRMVZONSA-N 1 0 308.397 2.141 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000189324388 200382456 /nfs/dbraw/zinc/38/24/56/200382456.db2.gz DMTZVBAFKDSAEC-ZQIUZPCESA-N 1 0 320.433 2.229 10 0 DEAERO CCOC[C@H]([NH2+]Cc1cnc(C(=O)OCC)s1)C(C)C ZINC000602830163 360577916 /nfs/dbraw/zinc/57/79/16/360577916.db2.gz LRSBDGGJCXTHMV-LBPRGKRZSA-N 1 0 300.424 2.471 10 0 DEAERO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cnc(-c2ccncc2)s1 ZINC000442967969 238095374 /nfs/dbraw/zinc/09/53/74/238095374.db2.gz PXTQISDEEXZOBJ-FHXAZYNBSA-N 1 0 313.426 2.406 10 0 DEAERO Cc1cc(CCNC(=O)N2CC[C@H](C[NH+](C)C)C2)cc(C)c1O ZINC000190914826 200604230 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CC1(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)OCCCO1 ZINC000192252178 200843272 /nfs/dbraw/zinc/84/32/72/200843272.db2.gz WKKCXIFWYDTMSV-UHFFFAOYSA-N 1 0 305.353 2.459 10 0 DEAERO C[NH+](C)CCCCNC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000607907685 361126807 /nfs/dbraw/zinc/12/68/07/361126807.db2.gz BJZVNAOJMFNHIP-UHFFFAOYSA-N 1 0 318.396 2.012 10 0 DEAERO O[C@H](COC[C@H]1CCCO1)C[NH+]1CCC(C2CCCC2)CC1 ZINC000608501900 361227883 /nfs/dbraw/zinc/22/78/83/361227883.db2.gz COFBIUXVVJMDQQ-ZWKOTPCHSA-N 1 0 311.466 2.445 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](O)c1ccc(C)cc1 ZINC000192993838 200974202 /nfs/dbraw/zinc/97/42/02/200974202.db2.gz MLJZDYRVNIGYMR-GDBMZVCRSA-N 1 0 307.438 2.058 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000193208309 201007433 /nfs/dbraw/zinc/00/74/33/201007433.db2.gz ITOSZKYVFAHBHV-LLVKDONJSA-N 1 0 311.813 2.302 10 0 DEAERO CCOc1cc2c(cc1OCC)CN(C(=O)CC[C@@H](C)[NH3+])CC2 ZINC000193181504 201003733 /nfs/dbraw/zinc/00/37/33/201003733.db2.gz ZHNFXNLAEGKIPJ-CYBMUJFWSA-N 1 0 320.433 2.496 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000193397723 201044779 /nfs/dbraw/zinc/04/47/79/201044779.db2.gz YJWKLUJXARGNJH-BLLLJJGKSA-N 1 0 304.415 2.116 10 0 DEAERO c1[nH]nc2cccc(C[NH+]3CCN(c4cc(C5CC5)[nH]n4)CC3)c12 ZINC000628242227 366780971 /nfs/dbraw/zinc/78/09/71/366780971.db2.gz WXRUKMDBPMYWOH-UHFFFAOYSA-N 1 0 322.416 2.486 10 0 DEAERO Cc1nc(C)c(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000628219037 366771783 /nfs/dbraw/zinc/77/17/83/366771783.db2.gz ZWVYHEBBJRJPTR-GOSISDBHSA-N 1 0 315.417 2.018 10 0 DEAERO O=C(CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)NCc1ccccc1 ZINC000194011623 201162445 /nfs/dbraw/zinc/16/24/45/201162445.db2.gz YANCSYKYHZRGPZ-BPQIPLTHSA-N 1 0 314.429 2.240 10 0 DEAERO COC(=O)CCCN1CCC([NH2+]C[C@@H](C)c2ccncc2)CC1 ZINC000611409596 361594624 /nfs/dbraw/zinc/59/46/24/361594624.db2.gz BMOJNSUKKNAZBR-OAHLLOKOSA-N 1 0 319.449 2.192 10 0 DEAERO CCCC(C[NH3+])(CCC)N1CCSC[C@H]1S(=O)(=O)CC ZINC000090926719 192949634 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C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000091135896 193000736 /nfs/dbraw/zinc/00/07/36/193000736.db2.gz TYSOLLSDLVNOCH-ONGXEEELSA-N 1 0 310.385 2.271 10 0 DEAERO CNc1nc(CN2CCC[C@@H]([NH+](C)C)C2)nc2sccc21 ZINC000091449104 193057789 /nfs/dbraw/zinc/05/77/89/193057789.db2.gz DUVVPNDXAJTZEC-LLVKDONJSA-N 1 0 305.451 2.259 10 0 DEAERO CC(C)[C@@H](CNC(=O)c1ccc(Br)nc1)[NH+](C)C ZINC000091448263 193057826 /nfs/dbraw/zinc/05/78/26/193057826.db2.gz IUHBNWQNMMYJFO-LLVKDONJSA-N 1 0 314.227 2.160 10 0 DEAERO CN(Cc1ccc(Cl)cc1)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321137 193039842 /nfs/dbraw/zinc/03/98/42/193039842.db2.gz NPAUIQPMOWQQFZ-CQSZACIVSA-N 1 0 311.857 2.404 10 0 DEAERO CCCc1c(C[NH2+]CC(C)C)cnn1CCS(=O)(=O)CC ZINC000091339766 193044199 /nfs/dbraw/zinc/04/41/99/193044199.db2.gz WXBAOXBSJRCUSQ-UHFFFAOYSA-N 1 0 315.483 2.016 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)c1cccc(OC(F)(F)F)c1 ZINC000091521497 193068544 /nfs/dbraw/zinc/06/85/44/193068544.db2.gz IDUJSCGLQJXDHS-CYBMUJFWSA-N 1 0 307.312 2.419 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@@](C)(CC)N1CCCCC1 ZINC000091610304 193079930 /nfs/dbraw/zinc/07/99/30/193079930.db2.gz RGJKIMGTOPDSPL-JKSUJKDBSA-N 1 0 318.527 2.444 10 0 DEAERO CC[C@@](C)([C@@H](CCCS(=O)(=O)CC)[NH2+]C)N1CCCC1 ZINC000091605977 193078495 /nfs/dbraw/zinc/07/84/95/193078495.db2.gz SAAJYVTZKNLEKW-CABCVRRESA-N 1 0 304.500 2.054 10 0 DEAERO CCN1CCO[C@@H](C[NH3+])[C@@H]1c1ccc(Br)c(C)c1 ZINC000091475856 193061406 /nfs/dbraw/zinc/06/14/06/193061406.db2.gz ZHNGJMWBZMZWNJ-KBPBESRZSA-N 1 0 313.239 2.478 10 0 DEAERO COCCN1CC[C@@H]([NH3+])[C@@H]1c1ccc(Br)c(C)c1 ZINC000091476678 193062135 /nfs/dbraw/zinc/06/21/35/193062135.db2.gz ZRUUDXHFJUPDCG-KGLIPLIRSA-N 1 0 313.239 2.478 10 0 DEAERO CC[C@@H](C[NH3+])S(=O)(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000091479123 193062265 /nfs/dbraw/zinc/06/22/65/193062265.db2.gz UADCOQMKNHJCEW-JTQLQIEISA-N 1 0 310.341 2.493 10 0 DEAERO CN(c1nc(Cl)ncc1Br)C1CC[NH+](C)CC1 ZINC000091658138 193086283 /nfs/dbraw/zinc/08/62/83/193086283.db2.gz DUQXESQCUOQLSC-UHFFFAOYSA-N 1 0 319.634 2.423 10 0 DEAERO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CC3=CCCOC3)C2)n1 ZINC000091686444 193091998 /nfs/dbraw/zinc/09/19/98/193091998.db2.gz JLPGCWXAXRZRJA-INIZCTEOSA-N 1 0 315.417 2.387 10 0 DEAERO C[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)[C@H]1CN(C)CCO1 ZINC000091717752 193097409 /nfs/dbraw/zinc/09/74/09/193097409.db2.gz JWUSVPZPLNYOIW-UONOGXRCSA-N 1 0 303.233 2.455 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000091869955 193120840 /nfs/dbraw/zinc/12/08/40/193120840.db2.gz ONPIJWNVBDPFMR-UHFFFAOYSA-N 1 0 310.463 2.455 10 0 DEAERO C[NH2+]C1CCC(NS(=O)(=O)c2ccccc2Cl)CC1 ZINC000091872475 193120892 /nfs/dbraw/zinc/12/08/92/193120892.db2.gz LDOFHCGISBZMDA-UHFFFAOYSA-N 1 0 302.827 2.149 10 0 DEAERO C[NH2+]C1CCC(NS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000091872413 193120976 /nfs/dbraw/zinc/12/09/76/193120976.db2.gz SPRYJFZQJSDYTH-UHFFFAOYSA-N 1 0 320.817 2.288 10 0 DEAERO C[C@@](O)(c1cccc(Br)c1)[C@]1(C[NH3+])CCOC1 ZINC000091905852 193125087 /nfs/dbraw/zinc/12/50/87/193125087.db2.gz SSPCGDRENFCMKS-OLZOCXBDSA-N 1 0 300.196 2.022 10 0 DEAERO CC[C@H]([NH3+])Cc1ccc(OC[C@@H]2CN(C)CCO2)c(Cl)c1 ZINC000092060723 193149751 /nfs/dbraw/zinc/14/97/51/193149751.db2.gz KWILNCAYEHEDSL-KBPBESRZSA-N 1 0 312.841 2.329 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(Cc3cccc4c3OCO4)CC2)CCO1 ZINC000092079149 193154768 /nfs/dbraw/zinc/15/47/68/193154768.db2.gz XTLAUFSNLZJYLS-AWEZNQCLSA-N 1 0 318.417 2.100 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000528680170 283973316 /nfs/dbraw/zinc/97/33/16/283973316.db2.gz BJLGLVJVQCNEKW-OAHLLOKOSA-N 1 0 316.405 2.075 10 0 DEAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000092098928 193158798 /nfs/dbraw/zinc/15/87/98/193158798.db2.gz ULOZMOLVINYCHR-CQSZACIVSA-N 1 0 318.808 2.441 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C[NH3+])c2)C[C@H]1C ZINC000092113599 193161104 /nfs/dbraw/zinc/16/11/04/193161104.db2.gz SQDSGFFIWYIDDH-AOOOYVTPSA-N 1 0 302.827 2.075 10 0 DEAERO Cc1oc(C[NH2+]C(C)C)cc1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113498 193161726 /nfs/dbraw/zinc/16/17/26/193161726.db2.gz OQGCUCQFXPRFKN-TXEJJXNPSA-N 1 0 314.451 2.363 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2cc(C[NH3+])ccc2Cl)C[C@H]1C ZINC000092113466 193161835 /nfs/dbraw/zinc/16/18/35/193161835.db2.gz JSHYZAAZYKZRBK-AOOOYVTPSA-N 1 0 302.827 2.075 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C)c(F)c1 ZINC000092115733 193163403 /nfs/dbraw/zinc/16/34/03/193163403.db2.gz MVYLPPIQHKLUPV-LBPRGKRZSA-N 1 0 314.426 2.497 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC2(C)CCCC2)c(F)c1 ZINC000092116258 193163859 /nfs/dbraw/zinc/16/38/59/193163859.db2.gz GHWALXYPPXJGMO-UHFFFAOYSA-N 1 0 300.399 2.156 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CC2(C)C)c(F)c1 ZINC000092116018 193163922 /nfs/dbraw/zinc/16/39/22/193163922.db2.gz ATJAMVBPVIWJSH-CQSZACIVSA-N 1 0 314.426 2.401 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(C)C)c(F)c1 ZINC000092116284 193164593 /nfs/dbraw/zinc/16/45/93/193164593.db2.gz HOOYWMIOMUKLKE-CQSZACIVSA-N 1 0 314.426 2.354 10 0 DEAERO OC[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1c1ccsc1 ZINC000249292025 202794202 /nfs/dbraw/zinc/79/42/02/202794202.db2.gz MLBHCSRYNGZJRI-SRVKXCTJSA-N 1 0 309.353 2.069 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000528750884 283998155 /nfs/dbraw/zinc/99/81/55/283998155.db2.gz HSIJKWKEPPYQDV-LMJFTQNUSA-N 1 0 321.417 2.030 10 0 DEAERO c1c(C[NH2+]CC2(c3ccccc3)CC2)nnn1C[C@@H]1CCOC1 ZINC000631039305 367982301 /nfs/dbraw/zinc/98/23/01/367982301.db2.gz IEBOKSIMYXOZMX-HNNXBMFYSA-N 1 0 312.417 2.136 10 0 DEAERO c1cc(OCCN2CCOCC2)ccc1C[NH2+][C@@H]1CC12CC2 ZINC000631164201 368055499 /nfs/dbraw/zinc/05/54/99/368055499.db2.gz YUFDQLJPQKQUHR-QGZVFWFLSA-N 1 0 302.418 2.040 10 0 DEAERO c1c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)nnn1C[C@H]1CCOC1 ZINC000631080224 368006644 /nfs/dbraw/zinc/00/66/44/368006644.db2.gz XXFASAQEVWGJGI-FXUDXRNXSA-N 1 0 304.438 2.373 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccccc2OCC(F)(F)F)C1 ZINC000092202871 193173217 /nfs/dbraw/zinc/17/32/17/193173217.db2.gz NZWCQWGHCPSCOG-VHSXEESVSA-N 1 0 300.280 2.470 10 0 DEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCO3)C1(C)C ZINC000451502441 243041478 /nfs/dbraw/zinc/04/14/78/243041478.db2.gz PNUXXAMAXMINKR-UHNFBRDESA-N 1 0 320.389 2.003 10 0 DEAERO COc1ccc(Br)cc1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842863 368418784 /nfs/dbraw/zinc/41/87/84/368418784.db2.gz GYWONAKEIUHBFG-ZYHUDNBSSA-N 1 0 313.239 2.484 10 0 DEAERO C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000631844552 368420413 /nfs/dbraw/zinc/42/04/13/368420413.db2.gz XZTUXJKBPWIVKC-VHSXEESVSA-N 1 0 316.232 2.459 10 0 DEAERO Brc1cnccc1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888995 368445939 /nfs/dbraw/zinc/44/59/39/368445939.db2.gz BATKFRNEJYFVBK-BXUZGUMPSA-N 1 0 310.239 2.418 10 0 DEAERO Cc1csc(NC(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)n1 ZINC000451600538 243179952 /nfs/dbraw/zinc/17/99/52/243179952.db2.gz SDMUHQRJEZMXLA-GXTWGEPZSA-N 1 0 313.467 2.269 10 0 DEAERO COc1ccc([C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C(C)C)cc1 ZINC000261740394 203106548 /nfs/dbraw/zinc/10/65/48/203106548.db2.gz DHURJCYQLPVKFU-PMPSAXMXSA-N 1 0 306.406 2.015 10 0 DEAERO CCS(=O)(=O)CC[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000093151748 193210073 /nfs/dbraw/zinc/21/00/73/193210073.db2.gz HYLIQLXWTAWCJO-LLVKDONJSA-N 1 0 320.252 2.316 10 0 DEAERO C[S@](=O)Cc1cc(NC(=O)[C@H]2CCCC[NH2+]2)ccc1Cl ZINC000262483915 203305760 /nfs/dbraw/zinc/30/57/60/203305760.db2.gz SYSKLFROWSSISX-XCLFUZPHSA-N 1 0 314.838 2.299 10 0 DEAERO CS(=O)(=O)Nc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000093214104 193217101 /nfs/dbraw/zinc/21/71/01/193217101.db2.gz JQOPDLJZLKXYAQ-ZJUUUORDSA-N 1 0 317.842 2.393 10 0 DEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000093265949 193222662 /nfs/dbraw/zinc/22/26/62/193222662.db2.gz CYSNIJUMZDRSPE-NSHDSACASA-N 1 0 302.415 2.341 10 0 DEAERO C[C@@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000093464389 193255848 /nfs/dbraw/zinc/25/58/48/193255848.db2.gz LILCWTLGWZGFQY-QWRGUYRKSA-N 1 0 315.414 2.140 10 0 DEAERO Cc1cc(N[C@@H](C)C[C@@H]2CCC[NH2+]2)ccc1NS(C)(=O)=O ZINC000093464645 193255973 /nfs/dbraw/zinc/25/59/73/193255973.db2.gz KSHYLSPHFCRREB-STQMWFEESA-N 1 0 311.451 2.309 10 0 DEAERO C[C@@H](C[C@H]1CCCC[NH2+]1)Nc1cccc(NS(C)(=O)=O)c1 ZINC000093473999 193257224 /nfs/dbraw/zinc/25/72/24/193257224.db2.gz AZFVFQXHEPNSDW-QWHCGFSZSA-N 1 0 311.451 2.391 10 0 DEAERO CSc1ccc([C@@]2(C)CNC(=[NH2+])N2C[C@@H]2CCCO2)cc1 ZINC000093378009 193241242 /nfs/dbraw/zinc/24/12/42/193241242.db2.gz BJHTXPWNWNVFFN-XJKSGUPXSA-N 1 0 305.447 2.433 10 0 DEAERO Cn1cc([C@H]2CNC(=[NH2+])N2c2ccccc2Br)cn1 ZINC000093386375 193242597 /nfs/dbraw/zinc/24/25/97/193242597.db2.gz SVLMCPXUCCIQMX-GFCCVEGCSA-N 1 0 320.194 2.059 10 0 DEAERO CC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596070 193270683 /nfs/dbraw/zinc/27/06/83/193270683.db2.gz ATNXNSYUBZAUKN-YPMHNXCESA-N 1 0 310.360 2.494 10 0 DEAERO Cc1nn(CC[C@H]2CCC[C@@]2([NH3+])CO)c(C)c1Br ZINC000093618428 193275569 /nfs/dbraw/zinc/27/55/69/193275569.db2.gz LQORMUBSQPUTQC-DGCLKSJQSA-N 1 0 316.243 2.142 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCn1ncc(Cl)c1C ZINC000093616151 193275772 /nfs/dbraw/zinc/27/57/72/193275772.db2.gz ZVSNYIYYOQPTAX-WFASDCNBSA-N 1 0 312.845 2.259 10 0 DEAERO Cc1nn(CC[C@H]2CCC[C@]2([NH2+]C(C)C)C(N)=O)cc1Cl ZINC000093615997 193275780 /nfs/dbraw/zinc/27/57/80/193275780.db2.gz LLHYFNUGVHPPQK-IUODEOHRSA-N 1 0 312.845 2.257 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000093696622 193291838 /nfs/dbraw/zinc/29/18/38/193291838.db2.gz BDHLLWBTLMOEDO-OLZOCXBDSA-N 1 0 314.426 2.148 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000093696624 193292260 /nfs/dbraw/zinc/29/22/60/193292260.db2.gz BDHLLWBTLMOEDO-CHWSQXEVSA-N 1 0 314.426 2.148 10 0 DEAERO CC(C)C[C@@]1(C[C@H]2CCCN(S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000093700702 193295163 /nfs/dbraw/zinc/29/51/63/193295163.db2.gz KUVKRVHYWUAIAJ-HUUCEWRRSA-N 1 0 302.484 2.216 10 0 DEAERO CC[C@@H]1CC[C@@](C[NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093702791 193295245 /nfs/dbraw/zinc/29/52/45/193295245.db2.gz OGLYAJQALJUKMW-ILXRZTDVSA-N 1 0 302.484 2.203 10 0 DEAERO C[C@H](CC[C@@H]1CCCN(S(C)(=O)=O)C1)C[NH2+]C(C)(C)C ZINC000093702320 193295539 /nfs/dbraw/zinc/29/55/39/193295539.db2.gz XSLUYQZSUZUQFJ-KGLIPLIRSA-N 1 0 304.500 2.462 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000093739960 193297933 /nfs/dbraw/zinc/29/79/33/193297933.db2.gz QEKHLQXJHHQZTA-QGZVFWFLSA-N 1 0 318.461 2.289 10 0 DEAERO CS[C@H]1CCCCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000262834386 203412366 /nfs/dbraw/zinc/41/23/66/203412366.db2.gz SLBBPGJISGYUNG-KBPBESRZSA-N 1 0 322.478 2.165 10 0 DEAERO NC(=O)[C@@]1([NH3+])CCC[C@@H](Oc2ccccc2C(F)(F)F)C1 ZINC000093773816 193305090 /nfs/dbraw/zinc/30/50/90/193305090.db2.gz RGTHJCFHKYZNIS-NOZJJQNGSA-N 1 0 302.296 2.210 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H](SC2CCOCC2)C1 ZINC000093779686 193305538 /nfs/dbraw/zinc/30/55/38/193305538.db2.gz FLTLHMLJVICCCK-UKRRQHHQSA-N 1 0 300.468 2.065 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](SC2CCOCC2)C1 ZINC000093779687 193305642 /nfs/dbraw/zinc/30/56/42/193305642.db2.gz FLTLHMLJVICCCK-HIFRSBDPSA-N 1 0 300.468 2.065 10 0 DEAERO CCC[NH2+][C@@]1(CO)CCC[C@H](n2cc(Br)cn2)C1 ZINC000093784214 193306937 /nfs/dbraw/zinc/30/69/37/193306937.db2.gz ONLUSKCVSMJNTC-STQMWFEESA-N 1 0 316.243 2.491 10 0 DEAERO CC(C)[NH2+][C@]1(CO)CCC[C@H](n2cc(Br)cn2)C1 ZINC000093784225 193307398 /nfs/dbraw/zinc/30/73/98/193307398.db2.gz QMRSQZAYHCVKQH-QWHCGFSZSA-N 1 0 316.243 2.490 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CC[C@H](Oc2ccccc2C(F)(F)F)C1 ZINC000093836631 193314766 /nfs/dbraw/zinc/31/47/66/193314766.db2.gz ZRSPGFPJAXFYPG-TVQRCGJNSA-N 1 0 302.296 2.080 10 0 DEAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000094006570 193338812 /nfs/dbraw/zinc/33/88/12/193338812.db2.gz VFNZZAHDZWIYMJ-UHFFFAOYSA-N 1 0 318.389 2.005 10 0 DEAERO CC(C)N(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000094024115 193339010 /nfs/dbraw/zinc/33/90/10/193339010.db2.gz VSKKJWSHNZVEMH-UHFFFAOYSA-N 1 0 314.426 2.224 10 0 DEAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)NC3CCCCC3)C2)CC1 ZINC000093886168 193324277 /nfs/dbraw/zinc/32/42/77/193324277.db2.gz MOPGPMSWDMMBLU-KRWDZBQOSA-N 1 0 322.497 2.131 10 0 DEAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1F)[C@H]1CN(C)CCN1C ZINC000093895189 193324556 /nfs/dbraw/zinc/32/45/56/193324556.db2.gz NDHAIZIMSWVYQB-DOMZBBRYSA-N 1 0 301.356 2.000 10 0 DEAERO CCC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@H]1CN(C)CCN1C ZINC000093895949 193325763 /nfs/dbraw/zinc/32/57/63/193325763.db2.gz QCMUFFBXXROKTG-DLBZAZTESA-N 1 0 309.885 2.497 10 0 DEAERO CC[NH2+][C@@H]1[C@@H](C[NH+](CCOC)CCOC)CCCC1(C)C ZINC000094287856 193355880 /nfs/dbraw/zinc/35/58/80/193355880.db2.gz JVSSRRNHEBDSET-HZPDHXFCSA-N 1 0 300.487 2.386 10 0 DEAERO CC1(C)CCCC[C@]1([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000094279702 193355926 /nfs/dbraw/zinc/35/59/26/193355926.db2.gz DRTLLGMQOGPREV-ZFWWWQNUSA-N 1 0 302.484 2.346 10 0 DEAERO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)CC1([NH3+])CCC1 ZINC000094293673 193356783 /nfs/dbraw/zinc/35/67/83/193356783.db2.gz YCVZOAROMVERNW-UHFFFAOYSA-N 1 0 309.797 2.252 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CCS(C)(=O)=O ZINC000094297102 193357185 /nfs/dbraw/zinc/35/71/85/193357185.db2.gz YHXCGAPWAQZICU-UONOGXRCSA-N 1 0 318.870 2.095 10 0 DEAERO CCC[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)CCS(C)(=O)=O ZINC000094298127 193357699 /nfs/dbraw/zinc/35/76/99/193357699.db2.gz XXDIAOCQOMQOJC-ZBFHGGJFSA-N 1 0 312.479 2.092 10 0 DEAERO [NH3+]Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1CCCO ZINC000094334261 193360604 /nfs/dbraw/zinc/36/06/04/193360604.db2.gz IRSWKKCXFJPPOI-LLVKDONJSA-N 1 0 303.328 2.300 10 0 DEAERO Cn1ccnc1Sc1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094337069 193361432 /nfs/dbraw/zinc/36/14/32/193361432.db2.gz IOJHKLKZPLKZKT-UHFFFAOYSA-N 1 0 301.297 2.269 10 0 DEAERO CC(C)C[NH2+]Cc1cc(F)c(OC[C@@H](C)C(N)=O)c(F)c1 ZINC000094347961 193363169 /nfs/dbraw/zinc/36/31/69/193363169.db2.gz GEIFDAKUCXSZNQ-SNVBAGLBSA-N 1 0 300.349 2.211 10 0 DEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1ncc(Br)cc1C ZINC000094051478 193341482 /nfs/dbraw/zinc/34/14/82/193341482.db2.gz MIKKMAOOORZGBS-AXFHLTTASA-N 1 0 300.200 2.069 10 0 DEAERO C[NH2+][C@H](c1cc(Br)ccc1F)[C@@H]1COCCO1 ZINC000094108714 193345362 /nfs/dbraw/zinc/34/53/62/193345362.db2.gz WSOKDRLTDBBFHU-NWDGAFQWSA-N 1 0 304.159 2.264 10 0 DEAERO COCC[NH2+]C[C@@](C)(O)c1cc(Br)ccc1F ZINC000094109315 193345408 /nfs/dbraw/zinc/34/54/08/193345408.db2.gz QQVSCTYWVCCLLW-GFCCVEGCSA-N 1 0 306.175 2.032 10 0 DEAERO C[NH2+]CCc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000094198858 193348432 /nfs/dbraw/zinc/34/84/32/193348432.db2.gz RWPNSTPGNPJFEX-UHFFFAOYSA-N 1 0 303.431 2.409 10 0 DEAERO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@](C)(N)C(F)(F)F ZINC000094235043 193353368 /nfs/dbraw/zinc/35/33/68/193353368.db2.gz BYKKMSKTRUZSAD-CYBMUJFWSA-N 1 0 311.392 2.093 10 0 DEAERO CCOC(=O)c1c(NC(=O)[C@@](C)([NH3+])CC)sc2c1CCC2 ZINC000094236933 193353391 /nfs/dbraw/zinc/35/33/91/193353391.db2.gz UIVRDZNQMCGTIN-HNNXBMFYSA-N 1 0 310.419 2.479 10 0 DEAERO COc1ccc(C[NH3+])cc1CS(=O)(=O)c1cccc(F)c1 ZINC000094625144 193385527 /nfs/dbraw/zinc/38/55/27/193385527.db2.gz FMPUCIBGOJTURS-UHFFFAOYSA-N 1 0 309.362 2.267 10 0 DEAERO CC[NH2+][C@H]([C@@H]1CCOC2(CCSCC2)C1)[C@@H]1COCCO1 ZINC000094405480 193368121 /nfs/dbraw/zinc/36/81/21/193368121.db2.gz ZQOBDZWTYUSJOA-QLFBSQMISA-N 1 0 315.479 2.072 10 0 DEAERO CC(C)C[NH2+]Cc1ncnn1[C@H]1CCO[C@]2(CCSC2)C1 ZINC000094412857 193368403 /nfs/dbraw/zinc/36/84/03/193368403.db2.gz UKNGFLRGWCTHFT-DZGCQCFKSA-N 1 0 310.467 2.251 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@@H]2CSCCS2)c1Cl ZINC000094497192 193374780 /nfs/dbraw/zinc/37/47/80/193374780.db2.gz LNJKAFURMWUTCT-KCJUWKMLSA-N 1 0 305.900 2.354 10 0 DEAERO CCCn1ncnc1C[C@@H]([NH2+]CC)[C@H]1CSCCS1 ZINC000094498214 193374891 /nfs/dbraw/zinc/37/48/91/193374891.db2.gz DYUBFHSRELAZFM-VXGBXAGGSA-N 1 0 300.497 2.057 10 0 DEAERO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CN2CCN1CC2 ZINC000094508964 193375128 /nfs/dbraw/zinc/37/51/28/193375128.db2.gz VIBCIXLMDJZSSP-ZIAGYGMSSA-N 1 0 300.233 2.254 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000094562990 193380220 /nfs/dbraw/zinc/38/02/20/193380220.db2.gz XUODSRCPPFWWTQ-JQWIXIFHSA-N 1 0 313.195 2.202 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)O1 ZINC000094567368 193380456 /nfs/dbraw/zinc/38/04/56/193380456.db2.gz YDELAPPNSJXFPP-STQMWFEESA-N 1 0 303.387 2.255 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094567729 193381148 /nfs/dbraw/zinc/38/11/48/193381148.db2.gz GVLMIKFKGAEHMQ-KOLCDFICSA-N 1 0 302.827 2.256 10 0 DEAERO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(C(F)(F)F)ccc1N ZINC000094595942 193382668 /nfs/dbraw/zinc/38/26/68/193382668.db2.gz OJFAWDUIRNJMAJ-VIFPVBQESA-N 1 0 303.328 2.358 10 0 DEAERO CC[NH2+][C@@](CSc1ccncc1)(C(N)=O)c1ccccc1 ZINC000094615206 193384676 /nfs/dbraw/zinc/38/46/76/193384676.db2.gz OTVGQRYLAPAPJE-MRXNPFEDSA-N 1 0 301.415 2.164 10 0 DEAERO CCN(c1nc2c(Br)cccn2n1)[C@@H]1CCC[NH2+]C1 ZINC000094608222 193384812 /nfs/dbraw/zinc/38/48/12/193384812.db2.gz PTOVAZZDRGJLLM-SNVBAGLBSA-N 1 0 324.226 2.070 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@H](Oc2cccc(F)c2C[NH3+])C1 ZINC000094634052 193385105 /nfs/dbraw/zinc/38/51/05/193385105.db2.gz ZEWGEKHWDGMNSA-GHMZBOCLSA-N 1 0 301.383 2.019 10 0 DEAERO C[NH2+][C@H](Cc1cccnc1N)c1cncc(Br)c1 ZINC000094824134 193401487 /nfs/dbraw/zinc/40/14/87/193401487.db2.gz OWRULCINTHNBOD-GFCCVEGCSA-N 1 0 307.195 2.325 10 0 DEAERO C[NH2+][C@@H](C)CCc1nc(-c2cncc(Br)c2)no1 ZINC000094825591 193401963 /nfs/dbraw/zinc/40/19/63/193401963.db2.gz GFJJVJQHDYKKCU-QMMMGPOBSA-N 1 0 311.183 2.435 10 0 DEAERO COc1ccc(F)c(NS(=O)(=O)c2ccccc2C[NH3+])c1 ZINC000094854694 193403053 /nfs/dbraw/zinc/40/30/53/193403053.db2.gz QOGGHYDHFHEFDX-UHFFFAOYSA-N 1 0 310.350 2.094 10 0 DEAERO CCC[NH2+][C@H](Cc1nc(C)c(C)s1)[C@H]1CN(CC)CCO1 ZINC000094974590 193409497 /nfs/dbraw/zinc/40/94/97/193409497.db2.gz PUXAJOXHHAJXPC-HUUCEWRRSA-N 1 0 311.495 2.391 10 0 DEAERO O=C(NCCc1cscn1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000095427166 193443714 /nfs/dbraw/zinc/44/37/14/193443714.db2.gz VOVDKGMBUYUSOF-HNNXBMFYSA-N 1 0 322.478 2.346 10 0 DEAERO O=C(N[C@H]1CCCc2occc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173950917 284189606 /nfs/dbraw/zinc/18/96/06/284189606.db2.gz GXKBNEOWEVVYRG-ZFWWWQNUSA-N 1 0 301.390 2.313 10 0 DEAERO COC1([C@H](C)[NH2+]CCSCC(F)(F)F)CCOCC1 ZINC000453158650 244982090 /nfs/dbraw/zinc/98/20/90/244982090.db2.gz BHVZXOSRAFNWHC-JTQLQIEISA-N 1 0 301.374 2.456 10 0 DEAERO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NCC[N@@H+](C)C1CC1 ZINC000264916313 204265940 /nfs/dbraw/zinc/26/59/40/204265940.db2.gz YCYNAINMXANKPJ-HNNXBMFYSA-N 1 0 303.406 2.130 10 0 DEAERO CCOc1cccc(C(=O)NC(=S)NCC[NH+](CC)CC)c1 ZINC000013617594 181868984 /nfs/dbraw/zinc/86/89/84/181868984.db2.gz FIQIPWZROYDTHW-UHFFFAOYSA-N 1 0 323.462 2.031 10 0 DEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)[C@H]1CCSC1 ZINC000097278825 193703758 /nfs/dbraw/zinc/70/37/58/193703758.db2.gz AWLOVAHRKYNCDH-VHSXEESVSA-N 1 0 318.284 2.375 10 0 DEAERO COc1ccc(Cl)cc1C[C@@H]([NH3+])[C@H]1CCCCS1(=O)=O ZINC000161950255 197531674 /nfs/dbraw/zinc/53/16/74/197531674.db2.gz KHWKWQKMIAZPPR-TZMCWYRMSA-N 1 0 317.838 2.186 10 0 DEAERO Cc1nn(C)c(CNC[C@@H](C)[NH+]2CCCC2)c1Br ZINC000161252885 197479274 /nfs/dbraw/zinc/47/92/74/197479274.db2.gz KLWGSHJXANQWCT-SNVBAGLBSA-N 1 0 315.259 2.065 10 0 DEAERO Cc1c[nH+]c(NN)nc1Nc1c2nsnc2ccc1Cl ZINC000160943823 197452321 /nfs/dbraw/zinc/45/23/21/197452321.db2.gz ZSVBXSXHZRFHBT-UHFFFAOYSA-N 1 0 307.770 2.472 10 0 DEAERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cnc(Cl)c(Cl)c1 ZINC000019803127 182151951 /nfs/dbraw/zinc/15/19/51/182151951.db2.gz UXCLMSSASPCIGQ-NSHDSACASA-N 1 0 300.189 2.212 10 0 DEAERO C[C@H]([NH2+]CCN1CCOCC1)c1cccc(Br)c1 ZINC000019954159 182169358 /nfs/dbraw/zinc/16/93/58/182169358.db2.gz POIZVIGMWCSNNF-LBPRGKRZSA-N 1 0 313.239 2.432 10 0 DEAERO COc1ccc2cc(C[NH2+][C@@H]3CCS(=O)(=O)C3)ccc2c1 ZINC000020019840 182179075 /nfs/dbraw/zinc/17/90/75/182179075.db2.gz OMZKVDCWQFZOSC-OAHLLOKOSA-N 1 0 305.399 2.125 10 0 DEAERO CC(C)(C)OC(=O)N1CCN([C@H](C[NH3+])c2cccs2)CC1 ZINC000020179232 182194611 /nfs/dbraw/zinc/19/46/11/182194611.db2.gz QXEUWYLNHZBUBK-GFCCVEGCSA-N 1 0 311.451 2.301 10 0 DEAERO [NH3+]Cc1ccc(F)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000020188946 182195454 /nfs/dbraw/zinc/19/54/54/182195454.db2.gz HZQZOMOKHOFBHS-UHFFFAOYSA-N 1 0 306.362 2.036 10 0 DEAERO [NH3+]C[C@@H](c1cccc(Br)c1)N1CCSCC1 ZINC000020257076 182200404 /nfs/dbraw/zinc/20/04/04/182200404.db2.gz UFPDDMAOOUFVBJ-LBPRGKRZSA-N 1 0 301.253 2.498 10 0 DEAERO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CC[NH2+]CC1 ZINC000020269991 182201531 /nfs/dbraw/zinc/20/15/31/182201531.db2.gz NLFJJTUFMQWXCM-SECBINFHSA-N 1 0 302.205 2.226 10 0 DEAERO C[NH2+][C@@H](c1c(Br)cnn1CCOC)C1CCC1 ZINC000159979443 197378277 /nfs/dbraw/zinc/37/82/77/197378277.db2.gz BNQPAVGJTDHCTB-LLVKDONJSA-N 1 0 302.216 2.353 10 0 DEAERO Cc1ccc([C@H](C[NH3+])N2CCN(c3nccs3)CC2)cc1 ZINC000021046846 182263508 /nfs/dbraw/zinc/26/35/08/182263508.db2.gz UDYPSSPFWUEXME-HNNXBMFYSA-N 1 0 302.447 2.274 10 0 DEAERO O=S(=O)(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000021503466 182276074 /nfs/dbraw/zinc/27/60/74/182276074.db2.gz MRJNJXKJLQJBRW-NSHDSACASA-N 1 0 308.325 2.199 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCCCC2CCOCC2)CC1 ZINC000454786344 246152249 /nfs/dbraw/zinc/15/22/49/246152249.db2.gz MIIKXLCIUKNUOI-UHFFFAOYSA-N 1 0 309.454 2.144 10 0 DEAERO Cc1cc(C)c(NC[C@@H](O)C[NH+](C)C)c(Br)c1 ZINC000159851149 197368717 /nfs/dbraw/zinc/36/87/17/197368717.db2.gz PGSMCQCXLWNVIY-LLVKDONJSA-N 1 0 301.228 2.400 10 0 DEAERO C[C@H](CNC(=O)c1nnc(Cl)s1)C[NH+]1CCCCC1 ZINC000159841658 197368467 /nfs/dbraw/zinc/36/84/67/197368467.db2.gz FFGWOEDOTANRAY-SECBINFHSA-N 1 0 302.831 2.043 10 0 DEAERO C[C@@H](NC(=O)c1ccccc1)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456204962 247009604 /nfs/dbraw/zinc/00/96/04/247009604.db2.gz PCJQHXGNPAYCEK-CQSZACIVSA-N 1 0 319.449 2.042 10 0 DEAERO C[C@H](C[NH2+]Cc1ccc(F)cc1Br)[S@](C)=O ZINC000159823301 197367160 /nfs/dbraw/zinc/36/71/60/197367160.db2.gz LUSBFEHJYSILPI-VPTHRUTESA-N 1 0 308.216 2.445 10 0 DEAERO Cc1nn(C)cc1CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458273546 248243267 /nfs/dbraw/zinc/24/32/67/248243267.db2.gz XBSYOAXXIBMVSQ-UHFFFAOYSA-N 1 0 300.406 2.280 10 0 DEAERO CC(C)(CNC(=O)NCCNc1cc[nH+]cc1)C1=CCCC1 ZINC000459188875 248594280 /nfs/dbraw/zinc/59/42/80/248594280.db2.gz YNVBUZTZBQFZIK-UHFFFAOYSA-N 1 0 302.422 2.351 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000040634300 183111576 /nfs/dbraw/zinc/11/15/76/183111576.db2.gz DKNVUZNPSABYCJ-STQMWFEESA-N 1 0 303.387 2.126 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000040634623 183112669 /nfs/dbraw/zinc/11/26/69/183112669.db2.gz BVOHMDAZIYOGAR-GWCFXTLKSA-N 1 0 317.216 2.329 10 0 DEAERO CC(C)C[C@H](CO)[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000040777824 183132063 /nfs/dbraw/zinc/13/20/63/183132063.db2.gz BCHKWLYJZIVPSP-HUUCEWRRSA-N 1 0 315.841 2.214 10 0 DEAERO [NH3+]C1(C(=O)NCc2cc(Br)ccc2F)CCCC1 ZINC000041069526 183162138 /nfs/dbraw/zinc/16/21/38/183162138.db2.gz TYJIQTIQECVKSZ-UHFFFAOYSA-N 1 0 315.186 2.476 10 0 DEAERO C[C@@]([NH3+])(C(=O)NCc1cc(Br)ccc1F)C1CC1 ZINC000041069513 183162383 /nfs/dbraw/zinc/16/23/83/183162383.db2.gz RVDCKHRAMRSUCO-ZDUSSCGKSA-N 1 0 315.186 2.332 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccccc1Cl ZINC000041604102 183209531 /nfs/dbraw/zinc/20/95/31/183209531.db2.gz NDZHZYNJAJULGN-NSHDSACASA-N 1 0 311.813 2.125 10 0 DEAERO Cc1nnc(NCCCC[N@@H+](C)C(C)C)c(C(N)=S)c1C ZINC000041681102 183215992 /nfs/dbraw/zinc/21/59/92/183215992.db2.gz LCUODEYEXVNVGU-UHFFFAOYSA-N 1 0 309.483 2.260 10 0 DEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042318787 183253401 /nfs/dbraw/zinc/25/34/01/183253401.db2.gz APLXOOUCFFFUOZ-IUCAKERBSA-N 1 0 307.257 2.477 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1OCc1nc(C)no1 ZINC000042411574 183265762 /nfs/dbraw/zinc/26/57/62/183265762.db2.gz APDMSNMDUKUFHP-UHFFFAOYSA-N 1 0 312.167 2.439 10 0 DEAERO CCOC(=O)COc1c(Br)cccc1C[NH2+]C ZINC000042411636 183266042 /nfs/dbraw/zinc/26/60/42/183266042.db2.gz NAAPMPUOIGUAEX-UHFFFAOYSA-N 1 0 302.168 2.110 10 0 DEAERO C[C@H](CN(C)CCOc1cccc(Br)c1)C(N)=[NH2+] ZINC000042459865 183272559 /nfs/dbraw/zinc/27/25/59/183272559.db2.gz TUSMFYIJFMYHII-SNVBAGLBSA-N 1 0 314.227 2.332 10 0 DEAERO Nc1ccc(CN2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000042489549 183276281 /nfs/dbraw/zinc/27/62/81/183276281.db2.gz IDGIOSNZMPHWTL-UHFFFAOYSA-N 1 0 310.239 2.311 10 0 DEAERO CN(Cc1cc(Br)cs1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042398497 183264116 /nfs/dbraw/zinc/26/41/16/183264116.db2.gz NPOOMGCFUIFYIE-SKDRFNHKSA-N 1 0 319.268 2.306 10 0 DEAERO COCCN([C@H](C)COC)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042606684 183290124 /nfs/dbraw/zinc/29/01/24/183290124.db2.gz UCRCSDCKEOSDKB-DOMZBBRYSA-N 1 0 300.830 2.323 10 0 DEAERO C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000042609386 183290402 /nfs/dbraw/zinc/29/04/02/183290402.db2.gz WMXOBAYXWIXSBU-BBRMVZONSA-N 1 0 310.463 2.486 10 0 DEAERO COCCN([C@H](C)COC)[C@@H](C[NH3+])c1ccc(SC)cc1 ZINC000042606650 183290488 /nfs/dbraw/zinc/29/04/88/183290488.db2.gz UQSAHDDHOBYCGA-CJNGLKHVSA-N 1 0 312.479 2.392 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000042610561 183291057 /nfs/dbraw/zinc/29/10/57/183291057.db2.gz SYQQVOGESHFACX-HIFRSBDPSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000042611500 183291467 /nfs/dbraw/zinc/29/14/67/183291467.db2.gz XQIZHNFVADAVNR-JQWIXIFHSA-N 1 0 302.465 2.406 10 0 DEAERO COc1cc(OC)cc([C@H](C[NH3+])N(C)Cc2cscn2)c1 ZINC000042863625 183315030 /nfs/dbraw/zinc/31/50/30/183315030.db2.gz LOTHVEMRCMIVCY-HNNXBMFYSA-N 1 0 307.419 2.292 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(CC(N)=O)C1CCCC1 ZINC000042946606 183320485 /nfs/dbraw/zinc/32/04/85/183320485.db2.gz WRUJCHVBHJWURL-MEDUHNTESA-N 1 0 309.841 2.458 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1cccc(F)c1 ZINC000042974835 183325264 /nfs/dbraw/zinc/32/52/64/183325264.db2.gz KPNCCVJBURUQSO-GWCFXTLKSA-N 1 0 308.382 2.062 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCC(CC(N)=O)CC1 ZINC000043052448 183332535 /nfs/dbraw/zinc/33/25/35/183332535.db2.gz KMZKRSQAJXOESG-ZBEGNZNMSA-N 1 0 309.841 2.316 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1F ZINC000043050385 183332871 /nfs/dbraw/zinc/33/28/71/183332871.db2.gz OUYFZBOADJREJT-MFKMUULPSA-N 1 0 308.382 2.062 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1ccccc1F ZINC000043050354 183332903 /nfs/dbraw/zinc/33/29/03/183332903.db2.gz WRXHWOLTMDHAEY-GWCFXTLKSA-N 1 0 307.398 2.351 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)N(CCOC)CCOC ZINC000043240873 183345777 /nfs/dbraw/zinc/34/57/77/183345777.db2.gz GFXBZLYMIVUFCV-HIFRSBDPSA-N 1 0 300.468 2.430 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1sccc1C)N1CCC[C@@H]1C(=O)N(C)C ZINC000043248008 183347134 /nfs/dbraw/zinc/34/71/34/183347134.db2.gz CKTDYXVTKLAENH-MJBXVCDLSA-N 1 0 309.479 2.388 10 0 DEAERO CNC(=O)[C@@H]1CCCCN1[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043253718 183347860 /nfs/dbraw/zinc/34/78/60/183347860.db2.gz VRBFUOANAWNUTO-UWVGGRQHSA-N 1 0 301.843 2.002 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCC[C@@H]1C(=O)N(C)C ZINC000043252788 183348106 /nfs/dbraw/zinc/34/81/06/183348106.db2.gz JIQRBIHCLCHNPY-GIPNMCIBSA-N 1 0 315.870 2.342 10 0 DEAERO C[NH2+][C@@H](c1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300607 183352002 /nfs/dbraw/zinc/35/20/02/183352002.db2.gz XKYIMTOWHQBLNW-PWSUYJOCSA-N 1 0 323.336 2.280 10 0 DEAERO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCC[C@@H]2CC)C1 ZINC000043305225 183353144 /nfs/dbraw/zinc/35/31/44/183353144.db2.gz NQUIJXCSGWBOSL-JYJNAYRXSA-N 1 0 324.465 2.441 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1nnnn1C1CCCC1)c1cccnc1 ZINC000043351943 183356394 /nfs/dbraw/zinc/35/63/94/183356394.db2.gz WLERLNDMSQDGNV-MFKMUULPSA-N 1 0 304.423 2.364 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CCC[C@@H]1CO ZINC000043092526 183336048 /nfs/dbraw/zinc/33/60/48/183336048.db2.gz UONQVLVJYBOGAZ-WDMOLILDSA-N 1 0 313.239 2.294 10 0 DEAERO CN(C)C(C)(C)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000043411243 183359821 /nfs/dbraw/zinc/35/98/21/183359821.db2.gz GHAZFFFUPDGBPW-CYBMUJFWSA-N 1 0 300.830 2.010 10 0 DEAERO CC(C)C[N@H+](CCC(N)=S)CC(=O)Nc1ccccc1F ZINC000043418583 183361283 /nfs/dbraw/zinc/36/12/83/183361283.db2.gz SNULDGQXKHSVMK-UHFFFAOYSA-N 1 0 311.426 2.398 10 0 DEAERO Cc1cccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1O ZINC000274056355 211313238 /nfs/dbraw/zinc/31/32/38/211313238.db2.gz REPGAUFWRFIZDZ-AAEUAGOBSA-N 1 0 301.346 2.286 10 0 DEAERO COC[C@H](C)C[NH2+]Cc1ccc(I)o1 ZINC000045657577 183521602 /nfs/dbraw/zinc/52/16/02/183521602.db2.gz UTOHNWSJKUMSFV-MRVPVSSYSA-N 1 0 309.147 2.256 10 0 DEAERO COc1ccc2c(c1)CCN2C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000105265492 194089731 /nfs/dbraw/zinc/08/97/31/194089731.db2.gz JELARCLCWQIZIF-GFCCVEGCSA-N 1 0 303.406 2.250 10 0 DEAERO COC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000105233746 194087376 /nfs/dbraw/zinc/08/73/76/194087376.db2.gz HNQWATHWFYFOKL-SJORKVTESA-N 1 0 317.433 2.254 10 0 DEAERO Cc1ccc(O)c(C[NH2+][C@H](c2nccn2C)C2CCOCC2)n1 ZINC000284862407 218210982 /nfs/dbraw/zinc/21/09/82/218210982.db2.gz YDPNSBNFWRWTLF-INIZCTEOSA-N 1 0 316.405 2.087 10 0 DEAERO CC(C)(C)OCC[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820604 194136297 /nfs/dbraw/zinc/13/62/97/194136297.db2.gz DKTPAJYONMZEOZ-KRWDZBQOSA-N 1 0 306.450 2.153 10 0 DEAERO CC[C@H]1CN(CCc2ccc(OC)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000105826296 194137333 /nfs/dbraw/zinc/13/73/33/194137333.db2.gz NKGJYNLGUOBCMR-WBVHZDCISA-N 1 0 306.450 2.015 10 0 DEAERO COCC[N@@H+]1CCN(CCOc2ccc(Cl)cc2)C[C@H]1C ZINC000105831818 194139568 /nfs/dbraw/zinc/13/95/68/194139568.db2.gz OOUOLSWQVCKYQR-CQSZACIVSA-N 1 0 312.841 2.371 10 0 DEAERO CCOCCN1CC[N@H+](C[C@](C)(O)c2ccccc2)C[C@@H]1CC ZINC000105838588 194144929 /nfs/dbraw/zinc/14/49/29/194144929.db2.gz MXQSDVOPZYBRJH-OALUTQOASA-N 1 0 320.477 2.327 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000105881296 194156224 /nfs/dbraw/zinc/15/62/24/194156224.db2.gz RKYRUBKPDPYUDK-CVEARBPZSA-N 1 0 314.433 2.090 10 0 DEAERO CC(C)CN(C(=O)C[NH+]1CCC(Cn2cccn2)CC1)C1CC1 ZINC000105887128 194157380 /nfs/dbraw/zinc/15/73/80/194157380.db2.gz PTKFREDEGAAAHM-UHFFFAOYSA-N 1 0 318.465 2.242 10 0 DEAERO COCC[N@@H+]1CCN(Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC000106106957 194185644 /nfs/dbraw/zinc/18/56/44/194185644.db2.gz GNBDZVRDQFDSGK-CYBMUJFWSA-N 1 0 314.376 2.441 10 0 DEAERO C[C@@H]1CCC[C@@H](N(C)S(=O)(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000049013995 183701844 /nfs/dbraw/zinc/70/18/44/183701844.db2.gz RDASESFLDAOGLW-CZUORRHYSA-N 1 0 310.463 2.486 10 0 DEAERO CC(C)[NH2+]Cc1ccccc1OCC(=O)NCC(F)(F)F ZINC000049309564 183724723 /nfs/dbraw/zinc/72/47/23/183724723.db2.gz RJCIPSWJUNPCEO-UHFFFAOYSA-N 1 0 304.312 2.242 10 0 DEAERO [NH3+][C@@H]1CCCN(CC(=O)c2sccc2Br)C1 ZINC000050149735 183775018 /nfs/dbraw/zinc/77/50/18/183775018.db2.gz WIQDMMXPLZOIKO-MRVPVSSYSA-N 1 0 303.225 2.116 10 0 DEAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2ccc(F)cc2F)CC1 ZINC000109469441 194267263 /nfs/dbraw/zinc/26/72/63/194267263.db2.gz SBXVKWGVDCVFTK-CQSZACIVSA-N 1 0 313.417 2.147 10 0 DEAERO CC[C@H](C(N)=S)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000109471417 194267352 /nfs/dbraw/zinc/26/73/52/194267352.db2.gz MCPUOAULOQSCFN-GFCCVEGCSA-N 1 0 320.487 2.483 10 0 DEAERO O=S(=O)(c1ccc(O[C@H]2CCC[NH2+]C2)cc1)C(F)(F)F ZINC000051872780 183839702 /nfs/dbraw/zinc/83/97/02/183839702.db2.gz RHBJKOYGSQBVNS-JTQLQIEISA-N 1 0 309.309 2.111 10 0 DEAERO COc1ccc(C[C@@H](CCS(C)(=O)=O)C[NH2+]C2CC2)cc1 ZINC000052976186 183882723 /nfs/dbraw/zinc/88/27/23/183882723.db2.gz XKLUGPXXUSCFCH-CQSZACIVSA-N 1 0 311.447 2.041 10 0 DEAERO CCCCOCCOCCOCC[NH2+]CC(C)(C)OCC ZINC000159338132 197345488 /nfs/dbraw/zinc/34/54/88/197345488.db2.gz CXVOCMKLULKFQV-UHFFFAOYSA-N 1 0 305.459 2.241 10 0 DEAERO CC[C@H]([NH3+])[C@@H](SCCS(C)(=O)=O)c1cccc(F)c1 ZINC000111003984 194379766 /nfs/dbraw/zinc/37/97/66/194379766.db2.gz BWDOKOFCTFILJG-STQMWFEESA-N 1 0 305.440 2.382 10 0 DEAERO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2nc3cc(F)ccc3o2)C1 ZINC000156718189 197135878 /nfs/dbraw/zinc/13/58/78/197135878.db2.gz ONGXXNGXVPIVBJ-GFCCVEGCSA-N 1 0 305.353 2.267 10 0 DEAERO CC(C)[NH2+][C@@](C)(CCCOc1cc(F)cc(F)c1)C(N)=O ZINC000054934144 183955145 /nfs/dbraw/zinc/95/51/45/183955145.db2.gz HABXXDQGZGXDHE-HNNXBMFYSA-N 1 0 300.349 2.366 10 0 DEAERO CN(C)CC[N@H+](C)CCCC(=O)Nc1ccc(N)cc1Cl ZINC000111129901 194392791 /nfs/dbraw/zinc/39/27/91/194392791.db2.gz XROJVQXAKWNMQB-UHFFFAOYSA-N 1 0 312.845 2.134 10 0 DEAERO Cc1n[nH]c(C)c1CCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000111139391 194393933 /nfs/dbraw/zinc/39/39/33/194393933.db2.gz AGGGVNHKUCLYHT-QGZVFWFLSA-N 1 0 314.433 2.378 10 0 DEAERO C[N@@H+](CC(=O)Nc1cc(N)ccc1Cl)C[C@@H]1CCCOC1 ZINC000111155027 194396132 /nfs/dbraw/zinc/39/61/32/194396132.db2.gz WFEMFAAEYCEGKO-NSHDSACASA-N 1 0 311.813 2.219 10 0 DEAERO Cc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)s1 ZINC000056557090 184015697 /nfs/dbraw/zinc/01/56/97/184015697.db2.gz YUQIAULXBGNUOB-ZDUSSCGKSA-N 1 0 319.434 2.141 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000057870062 184059726 /nfs/dbraw/zinc/05/97/26/184059726.db2.gz DKAIBFDLCLFOPX-NWDGAFQWSA-N 1 0 307.360 2.455 10 0 DEAERO CCC[NH2+][C@H](Cc1cc(Cl)ccc1OC)CS(C)(=O)=O ZINC000060706361 184154349 /nfs/dbraw/zinc/15/43/49/184154349.db2.gz HDKNNUUIRCVJFE-CYBMUJFWSA-N 1 0 319.854 2.304 10 0 DEAERO [NH3+]Cc1ccccc1S(=O)(=O)Nc1cc(F)c(F)cc1F ZINC000061094193 184161698 /nfs/dbraw/zinc/16/16/98/184161698.db2.gz PUXJBKBFVLIHQI-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO C[NH2+]C(C)(C)C(=O)Nc1ccccc1I ZINC000061300342 184167642 /nfs/dbraw/zinc/16/76/42/184167642.db2.gz HWSHSNOXXZQWAO-UHFFFAOYSA-N 1 0 318.158 2.228 10 0 DEAERO CC[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000061298743 184167679 /nfs/dbraw/zinc/16/76/79/184167679.db2.gz DFNRFLKMXFPSCZ-UHFFFAOYSA-N 1 0 309.797 2.405 10 0 DEAERO O=C(NCc1cc(F)cc(F)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061859948 184190080 /nfs/dbraw/zinc/19/00/80/184190080.db2.gz ASERYMVYJJYWHY-UHFFFAOYSA-N 1 0 309.360 2.345 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1ccc(Cl)cc1 ZINC000061592473 184175502 /nfs/dbraw/zinc/17/55/02/184175502.db2.gz VJTHECZLEYIMRG-QWRGUYRKSA-N 1 0 312.826 2.333 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccc(F)cc1 ZINC000061594681 184176080 /nfs/dbraw/zinc/17/60/80/184176080.db2.gz LWZQTKBAINTFMK-PELKAZGASA-N 1 0 308.382 2.226 10 0 DEAERO CCCn1c(S[C@@H](C[NH3+])c2ccc(Cl)s2)n[nH]c1=O ZINC000061594823 184176419 /nfs/dbraw/zinc/17/64/19/184176419.db2.gz JAUAFYGNSLYQOU-QMMMGPOBSA-N 1 0 318.855 2.488 10 0 DEAERO Cc1ccc([C@@H]([NH3+])CN2CCN(CC(F)(F)F)CC2)cc1 ZINC000061941117 184197194 /nfs/dbraw/zinc/19/71/94/184197194.db2.gz FCSAHLKJVXHVQF-AWEZNQCLSA-N 1 0 301.356 2.175 10 0 DEAERO C[N@@H+]1CC[C@@H](Nc2cccc(I)c2)C1 ZINC000061984928 184200106 /nfs/dbraw/zinc/20/01/06/184200106.db2.gz LNTWWDUJSVIKKD-LLVKDONJSA-N 1 0 302.159 2.407 10 0 DEAERO OC[C@@]1(Nc2ccc(Br)cc2)CC[N@@H+](C2CC2)C1 ZINC000061992152 184200127 /nfs/dbraw/zinc/20/01/27/184200127.db2.gz XXPDBYQRTQSGBF-CQSZACIVSA-N 1 0 311.223 2.460 10 0 DEAERO COCCCN(C)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000062029275 184202331 /nfs/dbraw/zinc/20/23/31/184202331.db2.gz JKYJRFFUQDBJQT-SECBINFHSA-N 1 0 307.257 2.479 10 0 DEAERO COCCC[NH+]1[C@H](C)CN(C(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000062090779 184205292 /nfs/dbraw/zinc/20/52/92/184205292.db2.gz ZVPAUCOUIHYJRD-HUUCEWRRSA-N 1 0 320.433 2.267 10 0 DEAERO CC(C)CN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000062209881 184219982 /nfs/dbraw/zinc/21/99/82/184219982.db2.gz RAHUNXUMXRYVGE-PELKAZGASA-N 1 0 301.184 2.299 10 0 DEAERO CC(C)N1C(=O)CC[C@@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000062211597 184221500 /nfs/dbraw/zinc/22/15/00/184221500.db2.gz LXJQOPFMWPHTAJ-PELKAZGASA-N 1 0 301.184 2.441 10 0 DEAERO [NH3+][C@@H](CNC(=O)c1ccc(Br)o1)c1ccccc1 ZINC000062838060 184255660 /nfs/dbraw/zinc/25/56/60/184255660.db2.gz UHPLVQCVMILGLW-JTQLQIEISA-N 1 0 309.163 2.472 10 0 DEAERO CC[C@]1(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CCC[NH2+]C1 ZINC000062855334 184256631 /nfs/dbraw/zinc/25/66/31/184256631.db2.gz YEEUTJWCUSHTEN-HNNXBMFYSA-N 1 0 309.797 2.157 10 0 DEAERO CC[C@]1(C(=O)NCc2cccc(Br)c2)CC[NH2+]C1 ZINC000062901147 184258786 /nfs/dbraw/zinc/25/87/86/184258786.db2.gz XNJSIAJSWMVIID-AWEZNQCLSA-N 1 0 311.223 2.455 10 0 DEAERO CC[NH2+]Cc1ccc(O[C@H]2CCOC2=O)c(Br)c1 ZINC000062701175 184247628 /nfs/dbraw/zinc/24/76/28/184247628.db2.gz QTSIJBYTZSJZGN-LBPRGKRZSA-N 1 0 314.179 2.253 10 0 DEAERO Oc1ccc(C[NH2+][C@@H]2CN3CCC2CC3)cc1Br ZINC000062701114 184247774 /nfs/dbraw/zinc/24/77/74/184247774.db2.gz AXFLUFTZPRJCOD-CYBMUJFWSA-N 1 0 311.223 2.339 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063213880 184278985 /nfs/dbraw/zinc/27/89/85/184278985.db2.gz PJLGPVKFFJFHHZ-QWHCGFSZSA-N 1 0 300.399 2.072 10 0 DEAERO C[NH+](C)[C@@H]1CCN(CC(=O)c2ccccc2Br)C1 ZINC000062966600 184262758 /nfs/dbraw/zinc/26/27/58/184262758.db2.gz ABGXGWKGLQAVHW-LLVKDONJSA-N 1 0 311.223 2.268 10 0 DEAERO C[NH+](C)[C@H]1CCN(CC(=O)c2cccc(Br)c2)C1 ZINC000062966613 184262892 /nfs/dbraw/zinc/26/28/92/184262892.db2.gz GHTAPRDZSFCUGA-ZDUSSCGKSA-N 1 0 311.223 2.268 10 0 DEAERO CCCNc1ncc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1Cl ZINC000062984786 184264734 /nfs/dbraw/zinc/26/47/34/184264734.db2.gz HKFLLRJGYHAPBV-LBPRGKRZSA-N 1 0 310.829 2.333 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)Cc1csc(C)n1 ZINC000063017358 184267029 /nfs/dbraw/zinc/26/70/29/184267029.db2.gz CAXNNXDAZNVTHZ-LBPRGKRZSA-N 1 0 304.481 2.187 10 0 DEAERO C[C@H]([NH3+])Cc1ccc(OCCCS(C)(=O)=O)c(Cl)c1 ZINC000063017589 184267426 /nfs/dbraw/zinc/26/74/26/184267426.db2.gz QEWMDIHAWDGLSD-JTQLQIEISA-N 1 0 305.827 2.043 10 0 DEAERO CC[NH2+]C[C@@H](CCCS(C)(=O)=O)Cc1cccc(OC)c1 ZINC000063018290 184267593 /nfs/dbraw/zinc/26/75/93/184267593.db2.gz YLVGLCHVRUWRFO-HNNXBMFYSA-N 1 0 313.463 2.288 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)NCCC(F)(F)F)cc1 ZINC000063101575 184271001 /nfs/dbraw/zinc/27/10/01/184271001.db2.gz HGILXPGFYJSAKR-UHFFFAOYSA-N 1 0 324.368 2.415 10 0 DEAERO CS(=O)(=O)c1ccc(S[C@H](C[NH3+])c2cccnc2)cc1 ZINC000063131265 184272270 /nfs/dbraw/zinc/27/22/70/184272270.db2.gz UBAHIBRITBUALX-CQSZACIVSA-N 1 0 308.428 2.277 10 0 DEAERO CS(=O)(=O)c1ccc(S[C@@H](C[NH3+])c2ccncc2)cc1 ZINC000063131272 184272419 /nfs/dbraw/zinc/27/24/19/184272419.db2.gz DOIKJVOJSVZNAH-AWEZNQCLSA-N 1 0 308.428 2.277 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@H](C[NH2+]C(C)C)C2)s1 ZINC000063138631 184273227 /nfs/dbraw/zinc/27/32/27/184273227.db2.gz BZARJMCIZBTGBX-CYBMUJFWSA-N 1 0 316.492 2.455 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CCOCC)cc1 ZINC000063153859 184274443 /nfs/dbraw/zinc/27/44/43/184274443.db2.gz TYQRSEVUFDCYPJ-LBPRGKRZSA-N 1 0 300.424 2.135 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(C)sc1C ZINC000063168116 184275771 /nfs/dbraw/zinc/27/57/71/184275771.db2.gz MPAWNSKHEVAXJU-GFCCVEGCSA-N 1 0 302.465 2.128 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)c(F)c1 ZINC000063171971 184276082 /nfs/dbraw/zinc/27/60/82/184276082.db2.gz ALNDGDXNPMUYGN-GHMZBOCLSA-N 1 0 301.159 2.198 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000063175785 184276610 /nfs/dbraw/zinc/27/66/10/184276610.db2.gz KRUMIAREPSYOSA-DTWKUNHWSA-N 1 0 309.218 2.152 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCCN1[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000063191749 184277219 /nfs/dbraw/zinc/27/72/19/184277219.db2.gz QYAGYEOCWPFPNM-DVOMOZLQSA-N 1 0 310.463 2.353 10 0 DEAERO C[NH2+]CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000066225877 184397715 /nfs/dbraw/zinc/39/77/15/184397715.db2.gz HSMAJHVCTRIOQT-CYBMUJFWSA-N 1 0 311.385 2.336 10 0 DEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)CCc1nc(-c2ccsc2)no1 ZINC000185428691 207365368 /nfs/dbraw/zinc/36/53/68/207365368.db2.gz GMBUYGHYRQNVEI-RYUDHWBXSA-N 1 0 320.418 2.117 10 0 DEAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188003002 207369654 /nfs/dbraw/zinc/36/96/54/207369654.db2.gz VVKIHWQIBZVLET-CJNGLKHVSA-N 1 0 302.418 2.494 10 0 DEAERO C[C@@H]1CC[C@H](NS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000068585553 184493072 /nfs/dbraw/zinc/49/30/72/184493072.db2.gz XLIKRNNCICXMFW-QPSCCSFWSA-N 1 0 302.484 2.263 10 0 DEAERO C[NH2+]Cc1ccc(OCCC(=O)OC)c(Br)c1 ZINC000069317468 184506814 /nfs/dbraw/zinc/50/68/14/184506814.db2.gz XNAQZCMLOREVCX-UHFFFAOYSA-N 1 0 302.168 2.110 10 0 DEAERO CCc1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n(C)n1 ZINC000116507982 194751677 /nfs/dbraw/zinc/75/16/77/194751677.db2.gz GCOZXFQMUGJMPI-HNNXBMFYSA-N 1 0 315.421 2.407 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@H]1c1cnn(C)c1)C(C)(C)C[NH+](C)C ZINC000119553169 194992742 /nfs/dbraw/zinc/99/27/42/194992742.db2.gz QDEIQJDBWVJVHK-ZFWWWQNUSA-N 1 0 321.469 2.243 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2c1OCO2 ZINC000119614384 195002985 /nfs/dbraw/zinc/00/29/85/195002985.db2.gz VJYWZQWBSPRBCV-CYBMUJFWSA-N 1 0 304.390 2.266 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000159308756 197343598 /nfs/dbraw/zinc/34/35/98/197343598.db2.gz VFUVHTPYIMAFLX-QMTHXVAHSA-N 1 0 300.349 2.238 10 0 DEAERO C[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1cc(F)cc(C(F)(F)F)c1 ZINC000159244937 197339014 /nfs/dbraw/zinc/33/90/14/197339014.db2.gz BRMWPNLAMXDPBY-QWHCGFSZSA-N 1 0 306.303 2.436 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@@H](C)CC[C@@H]2C)cc(C[NH3+])c1F ZINC000159123563 197329220 /nfs/dbraw/zinc/32/92/20/197329220.db2.gz MLXWINIGYZIPDA-JQWIXIFHSA-N 1 0 314.426 2.402 10 0 DEAERO CCn1nc(C)c(Cl)c1C[NH2+]CCCCOCCOC ZINC000159120005 197329332 /nfs/dbraw/zinc/32/93/32/197329332.db2.gz KRHBFEQGTWYGEQ-UHFFFAOYSA-N 1 0 303.834 2.398 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc(C)c1F ZINC000159124658 197329064 /nfs/dbraw/zinc/32/90/64/197329064.db2.gz BIIANHWHLCTTRU-VXGBXAGGSA-N 1 0 314.426 2.130 10 0 DEAERO Cc1cc(S(=O)(=O)N(CC(C)C)C2CC2)cc(C[NH3+])c1F ZINC000159099827 197327364 /nfs/dbraw/zinc/32/73/64/197327364.db2.gz XKQZKUSAPAKWCD-UHFFFAOYSA-N 1 0 314.426 2.402 10 0 DEAERO COCCOCCCC[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000159122039 197329884 /nfs/dbraw/zinc/32/98/84/197329884.db2.gz HHQRMZARWISGLJ-CABCVRRESA-N 1 0 303.468 2.074 10 0 DEAERO CC[C@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc(F)cc1C ZINC000159013968 197319326 /nfs/dbraw/zinc/31/93/26/197319326.db2.gz WJGLSSGGIULPBC-JSGCOSHPSA-N 1 0 314.426 2.191 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)C1CCCCC1)[C@H]1CCOC1 ZINC000158833412 197304776 /nfs/dbraw/zinc/30/47/76/197304776.db2.gz NEEYJFQKTXELTP-ZFWWWQNUSA-N 1 0 303.468 2.139 10 0 DEAERO CN([C@@H](C[NH3+])c1ccc(OC(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000158689243 197294794 /nfs/dbraw/zinc/29/47/94/197294794.db2.gz DMVOMAGKCZKBCI-YPMHNXCESA-N 1 0 304.312 2.306 10 0 DEAERO [NH3+][C@@H](CSc1ccc(Br)cn1)[C@@H]1CCOC1 ZINC000158784200 197301286 /nfs/dbraw/zinc/30/12/86/197301286.db2.gz LFBAWTPVNRWPSN-SCZZXKLOSA-N 1 0 303.225 2.300 10 0 DEAERO CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000158406050 197268871 /nfs/dbraw/zinc/26/88/71/197268871.db2.gz BLZFNXFMKQYUTC-JQWIXIFHSA-N 1 0 301.312 2.442 10 0 DEAERO CCN(Cc1cccs1)[C@@H](C[NH3+])c1c(C)nn(C)c1OC ZINC000158382936 197266951 /nfs/dbraw/zinc/26/69/51/197266951.db2.gz IEZUDULYDVBXSC-ZDUSSCGKSA-N 1 0 308.451 2.321 10 0 DEAERO CC(C)[C@@H](O)CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000158301281 197261006 /nfs/dbraw/zinc/26/10/06/197261006.db2.gz RCYASUZMHNWXOT-HOCLYGCPSA-N 1 0 324.490 2.483 10 0 DEAERO C[C@@H]1OCC[C@H]1[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1N ZINC000158153345 197248603 /nfs/dbraw/zinc/24/86/03/197248603.db2.gz HLOPEEOSHWFQRO-IINYFYTJSA-N 1 0 311.813 2.360 10 0 DEAERO C[C@@H]1OCC[C@H]1[N@H+](C)CCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000158153908 197248269 /nfs/dbraw/zinc/24/82/69/197248269.db2.gz GSSBVZKFORNIDJ-IINYFYTJSA-N 1 0 311.813 2.360 10 0 DEAERO CC(C)CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000158131725 197246813 /nfs/dbraw/zinc/24/68/13/197246813.db2.gz DNNVCHIXIIRZLT-HOTGVXAUSA-N 1 0 323.481 2.001 10 0 DEAERO C[C@@H]1C[C@@H](Nc2nc3c(cc2C(N)=S)CCC3)CC[N@@H+]1C ZINC000158059956 197240253 /nfs/dbraw/zinc/24/02/53/197240253.db2.gz JOIJUUWXZILAMG-PWSUYJOCSA-N 1 0 304.463 2.099 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)C2(C(N)=S)CCCCCC2)CC[N@@H+]1C ZINC000157999122 197234489 /nfs/dbraw/zinc/23/44/89/197234489.db2.gz RANYRRVJPMRLML-STQMWFEESA-N 1 0 311.495 2.212 10 0 DEAERO C[C@H]([NH3+])CCS(=O)(=O)Cc1cccc(F)c1Br ZINC000157999191 197233719 /nfs/dbraw/zinc/23/37/19/197233719.db2.gz LRFFRXVBQKXBNJ-QMMMGPOBSA-N 1 0 324.215 2.240 10 0 DEAERO C[C@H](CC[NH3+])S(=O)(=O)Cc1cccc(F)c1Br ZINC000158000194 197233592 /nfs/dbraw/zinc/23/35/92/197233592.db2.gz BAHXVGSBEDMZAO-MRVPVSSYSA-N 1 0 324.215 2.240 10 0 DEAERO Cc1ncc(C[NH2+]C2CCS(=O)CC2)n1-c1ccccc1 ZINC000157978753 197232167 /nfs/dbraw/zinc/23/21/67/197232167.db2.gz ZPJCODUWIOXQMC-UHFFFAOYSA-N 1 0 303.431 2.181 10 0 DEAERO CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000120300581 195139435 /nfs/dbraw/zinc/13/94/35/195139435.db2.gz QAGVOTPNIURCHZ-CYBMUJFWSA-N 1 0 305.422 2.381 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000157382412 197183277 /nfs/dbraw/zinc/18/32/77/197183277.db2.gz IZALVJZJJHEHDX-MRXNPFEDSA-N 1 0 323.437 2.403 10 0 DEAERO O=C(Cc1ccc(Br)cc1)NCC[C@@H]1CCC[NH2+]1 ZINC000157415544 197185503 /nfs/dbraw/zinc/18/55/03/197185503.db2.gz FRIPIOMCFFBXBD-ZDUSSCGKSA-N 1 0 311.223 2.250 10 0 DEAERO CC[NH2+]C[C@H](Cc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000157308861 197178142 /nfs/dbraw/zinc/17/81/42/197178142.db2.gz ORUQKFMKVWUFMI-NEPJUHHUSA-N 1 0 317.401 2.168 10 0 DEAERO Cc1cccc(F)c1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000157252495 197173665 /nfs/dbraw/zinc/17/36/65/197173665.db2.gz ODWCFFSFHSKSIW-ZDUSSCGKSA-N 1 0 323.412 2.165 10 0 DEAERO Cc1nnc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)n1C1CC1 ZINC000157086195 197161253 /nfs/dbraw/zinc/16/12/53/197161253.db2.gz FLQGFQAECVTVDI-OAHLLOKOSA-N 1 0 303.454 2.372 10 0 DEAERO Cn1nncc1[C@H]([NH3+])c1cccc(Br)c1Cl ZINC000157038498 197157748 /nfs/dbraw/zinc/15/77/48/197157748.db2.gz XNTCMQPMBXUOIY-SNVBAGLBSA-N 1 0 301.575 2.279 10 0 DEAERO Cc1cc(Br)cn(CC[NH2+]Cc2cccnc2)c1=O ZINC000156972814 197153228 /nfs/dbraw/zinc/15/32/28/197153228.db2.gz CTWQWNMNNWJJSO-UHFFFAOYSA-N 1 0 322.206 2.104 10 0 DEAERO Cc1cc(C)nc(NS(=O)(=O)Cc2cccc(C[NH3+])c2)c1 ZINC000156939192 197151925 /nfs/dbraw/zinc/15/19/25/197151925.db2.gz DMMJULUYEGPEIL-UHFFFAOYSA-N 1 0 305.403 2.099 10 0 DEAERO C[C@](O)(C[C@@H]1COCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000156821181 197142996 /nfs/dbraw/zinc/14/29/96/197142996.db2.gz WNXQGUHHCBKIFS-YPMHNXCESA-N 1 0 305.296 2.171 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000156674588 197131799 /nfs/dbraw/zinc/13/17/99/197131799.db2.gz FSRAJZGVBCGZIE-MRXNPFEDSA-N 1 0 304.438 2.379 10 0 DEAERO Cc1cc(N2CCO[C@H]3CCCC[C@@H]32)c(C(N)=S)c(C)[nH+]1 ZINC000156660543 197131480 /nfs/dbraw/zinc/13/14/80/197131480.db2.gz DMKAGMSUNJNQFW-JSGCOSHPSA-N 1 0 305.447 2.480 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CCCCS1)c1ccc2c(c1)OCCO2 ZINC000156455187 197114908 /nfs/dbraw/zinc/11/49/08/197114908.db2.gz YAPTTYPKTMYYGS-ZIAGYGMSSA-N 1 0 309.431 2.367 10 0 DEAERO O=S(=O)(c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1)C(F)F ZINC000156375487 197108333 /nfs/dbraw/zinc/10/83/33/197108333.db2.gz CBZSHRMNNMLTTQ-MNOVXSKESA-N 1 0 316.373 2.014 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000156147551 197090010 /nfs/dbraw/zinc/09/00/10/197090010.db2.gz ZQSZAMYIYXQNSS-IKVQXRKZSA-N 1 0 314.838 2.452 10 0 DEAERO CCc1ncc(NC(=O)c2ccccc2OCC[NH+](C)C)cn1 ZINC000155644443 197074546 /nfs/dbraw/zinc/07/45/46/197074546.db2.gz ODYRYYVCLLZYKY-UHFFFAOYSA-N 1 0 314.389 2.232 10 0 DEAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000156019351 197080808 /nfs/dbraw/zinc/08/08/08/197080808.db2.gz OIOYUIDFALWOPL-VHSXEESVSA-N 1 0 314.223 2.491 10 0 DEAERO CC(C)NS(=O)(=O)c1ccc(N[C@@](C)(C[NH3+])C(C)C)cc1 ZINC000155990803 197079380 /nfs/dbraw/zinc/07/93/80/197079380.db2.gz JLKZVALSNHLFHG-HNNXBMFYSA-N 1 0 313.467 2.159 10 0 DEAERO [NH3+]Cc1ccc([C@@H](O)C[S@@](=O)c2ccc(F)c(F)c2)cc1 ZINC000155990993 197079162 /nfs/dbraw/zinc/07/91/62/197079162.db2.gz AFWMODXZJWCLRR-BTYIYWSLSA-N 1 0 311.353 2.265 10 0 DEAERO COC(=O)Nc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155520987 197062714 /nfs/dbraw/zinc/06/27/14/197062714.db2.gz ISKKCTURWQPAAS-WFASDCNBSA-N 1 0 319.405 2.323 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2cccc(OCC(F)F)c2)C1 ZINC000155239123 197035809 /nfs/dbraw/zinc/03/58/09/197035809.db2.gz OCPJGKGBAJASLT-OLZOCXBDSA-N 1 0 312.360 2.464 10 0 DEAERO CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000155226980 197034098 /nfs/dbraw/zinc/03/40/98/197034098.db2.gz SRFFTCCEGDEPPH-HNNXBMFYSA-N 1 0 313.405 2.149 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(N(C)C)cc2F)CC[N@@H+]1C ZINC000155087955 197020811 /nfs/dbraw/zinc/02/08/11/197020811.db2.gz CXRPTPNSADYDGT-OCCSQVGLSA-N 1 0 307.413 2.446 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2ccc(N(C)C)cc2F)CC[N@@H+]1C ZINC000155087837 197020627 /nfs/dbraw/zinc/02/06/27/197020627.db2.gz CXRPTPNSADYDGT-GXTWGEPZSA-N 1 0 307.413 2.446 10 0 DEAERO C[C@@H](C[N@@H+]1CCC[C@H](Nc2ccccc2)C1)CS(C)(=O)=O ZINC000154926256 197005794 /nfs/dbraw/zinc/00/57/94/197005794.db2.gz BUFRNKNVGARATO-HOCLYGCPSA-N 1 0 310.463 2.244 10 0 DEAERO COc1ccc(C[C@H](C)C(=O)N(C)CCC[NH+](C)C)cc1OC ZINC000542829217 285259673 /nfs/dbraw/zinc/25/96/73/285259673.db2.gz HSHGBIUWJQVLIN-AWEZNQCLSA-N 1 0 322.449 2.293 10 0 DEAERO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1O ZINC000120810244 195241764 /nfs/dbraw/zinc/24/17/64/195241764.db2.gz IOARVMMXLBVOSM-CYBMUJFWSA-N 1 0 306.406 2.251 10 0 DEAERO Cc1noc([C@@H]2COC[C@@H]3C[N@H+](Cc4scnc4C)C[C@@H]32)n1 ZINC000248046908 257109992 /nfs/dbraw/zinc/10/99/92/257109992.db2.gz VUEQVVOASNQDMX-RWMBFGLXSA-N 1 0 320.418 2.005 10 0 DEAERO Cc1nnc(C[C@@H]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3O2)o1 ZINC000248009342 257112144 /nfs/dbraw/zinc/11/21/44/257112144.db2.gz IPRYMYWOXMMCQX-DYEKYZERSA-N 1 0 305.403 2.272 10 0 DEAERO Cc1ccsc1C[N@@H+]1C[C@@H]2OC[C@@H](CN3CCCC3=O)[C@@H]2C1 ZINC000253599837 257104489 /nfs/dbraw/zinc/10/44/89/257104489.db2.gz VHHTZTVGWSEESK-ILXRZTDVSA-N 1 0 320.458 2.126 10 0 DEAERO c1cnc(OCC[C@@H]2CCOC3(C[NH+](CC4CC4)C3)C2)nc1 ZINC000253589910 257104936 /nfs/dbraw/zinc/10/49/36/257104936.db2.gz AKGIQTLLVHCZHC-CQSZACIVSA-N 1 0 303.406 2.137 10 0 DEAERO Cc1cc(C)cc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000121822652 195355380 /nfs/dbraw/zinc/35/53/80/195355380.db2.gz JKSKAVRRJRMWDJ-MRXNPFEDSA-N 1 0 319.449 2.334 10 0 DEAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)C1(C[NH3+])CC1 ZINC000121983585 195386180 /nfs/dbraw/zinc/38/61/80/195386180.db2.gz RHLRHQGZZBJHNO-SNVBAGLBSA-N 1 0 311.223 2.235 10 0 DEAERO CC[NH2+][C@H]1CCCS(=O)(=O)c2cc3c(cc21)OCCCO3 ZINC000124441443 195641877 /nfs/dbraw/zinc/64/18/77/195641877.db2.gz KHYJNRFYVFXALY-LBPRGKRZSA-N 1 0 311.403 2.066 10 0 DEAERO CN(C)CC[NH2+]CCOCc1cccc(Br)c1 ZINC000124803983 195681871 /nfs/dbraw/zinc/68/18/71/195681871.db2.gz CMVNNSYZRVISKB-UHFFFAOYSA-N 1 0 301.228 2.117 10 0 DEAERO CC(C)[NH2+]C[C@@H](O)C[S@](=O)c1ccc(Cl)c(Cl)c1 ZINC000126462829 195840937 /nfs/dbraw/zinc/84/09/37/195840937.db2.gz RWXWEOITNGRCRW-DYBLOJMWSA-N 1 0 310.246 2.460 10 0 DEAERO CCCn1cc(S(=O)(=O)NC[C@H](C)C(C)(C)C)cc1C[NH3+] ZINC000126125918 195812922 /nfs/dbraw/zinc/81/29/22/195812922.db2.gz RMGVNYPPJHTCDV-LBPRGKRZSA-N 1 0 315.483 2.317 10 0 DEAERO CCOC(=O)c1sc(C(C)(C)N2CC[NH2+]CC2)nc1CC ZINC000127192659 195856443 /nfs/dbraw/zinc/85/64/43/195856443.db2.gz QDZQFXSQMRHMNC-UHFFFAOYSA-N 1 0 311.451 2.023 10 0 DEAERO CC(C)[NH+](CCCNC(=O)c1cnn2c1CCCC2)C(C)C ZINC000127616181 195893958 /nfs/dbraw/zinc/89/39/58/195893958.db2.gz FBKJZFHGKQDDLZ-UHFFFAOYSA-N 1 0 306.454 2.458 10 0 DEAERO Cn1ncnc1S[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000127909519 195920510 /nfs/dbraw/zinc/92/05/10/195920510.db2.gz CCEQGMZSNCABHZ-ZETCQYMHSA-N 1 0 319.253 2.431 10 0 DEAERO COc1cccc(CCNC(=O)NCC[NH+](C(C)C)C(C)C)n1 ZINC000441427979 533460981 /nfs/dbraw/zinc/46/09/81/533460981.db2.gz ZZJMBIQPQZKTHE-UHFFFAOYSA-N 1 0 322.453 2.051 10 0 DEAERO COc1cccc(CC[NH2+][C@H](C(=O)N(C)C)c2ccccc2)n1 ZINC000441756742 533466760 /nfs/dbraw/zinc/46/67/60/533466760.db2.gz AGVJXECLKRQMNF-KRWDZBQOSA-N 1 0 313.401 2.052 10 0 DEAERO COc1ccc(CNC(=O)C[N@@H+]2CCCC23CCC3)cc1OC ZINC000444774881 533581807 /nfs/dbraw/zinc/58/18/07/533581807.db2.gz KZOOWOCHCICXOA-UHFFFAOYSA-N 1 0 318.417 2.339 10 0 DEAERO CC(=O)c1ccc(NC(=O)CN2CCCC[C@H]2C2(O)CC2)cc1 ZINC000562684023 292002473 /nfs/dbraw/zinc/00/24/73/292002473.db2.gz YUAWUAHKBZSQQZ-INIZCTEOSA-N 1 0 316.401 2.207 10 0 DEAERO Cc1cc2c(cc1C)O[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)C2 ZINC000262192905 292003615 /nfs/dbraw/zinc/00/36/15/292003615.db2.gz ZSZHKRHYNCCPJH-CVEARBPZSA-N 1 0 302.418 2.193 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000174949443 132511492 /nfs/dbraw/zinc/51/14/92/132511492.db2.gz CHAOYFVOEJNFHY-UHFFFAOYSA-N 1 0 318.421 2.227 10 0 DEAERO CCC[NH+](CCC)CCCNC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000176045455 132517223 /nfs/dbraw/zinc/51/72/23/132517223.db2.gz HPDBPODNTIKTBL-CVEARBPZSA-N 1 0 313.486 2.349 10 0 DEAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(Oc2cccc(F)c2)cc1 ZINC000263306811 132581416 /nfs/dbraw/zinc/58/14/16/132581416.db2.gz XZKDYBWBZSBJHG-KSSFIOAISA-N 1 0 316.376 2.288 10 0 DEAERO C[C@H]1CCC[N@H+](CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000358048021 133117489 /nfs/dbraw/zinc/11/74/89/133117489.db2.gz RWHAVTGLMZGVSW-HNNXBMFYSA-N 1 0 302.418 2.498 10 0 DEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000358182584 133126678 /nfs/dbraw/zinc/12/66/78/133126678.db2.gz CSXIIHJSWCEAPA-YOEHRIQHSA-N 1 0 302.418 2.426 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCC2([C@H](C)CCO)CCC2)CC1 ZINC000358203989 133128270 /nfs/dbraw/zinc/12/82/70/133128270.db2.gz ZRQHCUGZUHQTIW-MRXNPFEDSA-N 1 0 323.481 2.126 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000359747046 133142074 /nfs/dbraw/zinc/14/20/74/133142074.db2.gz WROWRICRKVMPFL-ZDUSSCGKSA-N 1 0 322.453 2.057 10 0 DEAERO O=C(Nc1cccc(F)c1)C1CCN(Cc2ncccn2)CC1 ZINC000361859523 133196042 /nfs/dbraw/zinc/19/60/42/133196042.db2.gz DVBJHRAHKJOHAR-UHFFFAOYSA-N 1 0 314.364 2.466 10 0 DEAERO Cc1cc(C)n(CCN2CCO[C@@H](COc3ccccc3)C2)n1 ZINC000361989126 133203866 /nfs/dbraw/zinc/20/38/66/133203866.db2.gz WVDAZQPXDOABSZ-GOSISDBHSA-N 1 0 315.417 2.280 10 0 DEAERO c1cn2c(cccc2C[NH+]2CCC(c3nnc4n3CCC4)CC2)n1 ZINC000362034862 133206766 /nfs/dbraw/zinc/20/67/66/133206766.db2.gz CISDTAHRWBBHMT-UHFFFAOYSA-N 1 0 322.416 2.252 10 0 DEAERO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000362530028 133236027 /nfs/dbraw/zinc/23/60/27/133236027.db2.gz VBUMEELFZPLUDU-FHLIZLRMSA-N 1 0 323.433 2.036 10 0 DEAERO Cn1nncc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368542140 133277478 /nfs/dbraw/zinc/27/74/78/133277478.db2.gz DGBLSDKATCZSNW-ALOPSCKCSA-N 1 0 311.433 2.100 10 0 DEAERO C[N@H+]1CC=C(CNC(=O)Nc2cccc3c2OCCC3)CC1 ZINC000376852993 133310095 /nfs/dbraw/zinc/31/00/95/133310095.db2.gz ZHFOMMAXPBUZJN-UHFFFAOYSA-N 1 0 301.390 2.395 10 0 DEAERO c1nc(C2OCCO2)sc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000377618616 133336989 /nfs/dbraw/zinc/33/69/89/133336989.db2.gz BVIHMCVSGAKXCA-OAHLLOKOSA-N 1 0 310.419 2.191 10 0 DEAERO C[C@H](Cn1nnc(-c2ccc(Br)cc2)n1)[NH+](C)C ZINC000358853988 147218930 /nfs/dbraw/zinc/21/89/30/147218930.db2.gz NVQGCUOJMGWFJJ-SECBINFHSA-N 1 0 310.199 2.053 10 0 DEAERO CCOC(=O)c1cnc(N2CCC(C[NH+](CC)CC)CC2)cn1 ZINC000548285403 285711064 /nfs/dbraw/zinc/71/10/64/285711064.db2.gz KGMGNMOISRIJKQ-UHFFFAOYSA-N 1 0 320.437 2.212 10 0 DEAERO COC1(C[C@H](C)[NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CCC1 ZINC000263524751 292125055 /nfs/dbraw/zinc/12/50/55/292125055.db2.gz STNFKXAYXXSKRY-JEYLPNPQSA-N 1 0 324.465 2.251 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000132325267 144766721 /nfs/dbraw/zinc/76/67/21/144766721.db2.gz RBTJOIOPNZAACH-RDJZCZTQSA-N 1 0 318.465 2.151 10 0 DEAERO 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Cc1cccc(NC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)c1C ZINC000248333320 145151113 /nfs/dbraw/zinc/15/11/13/145151113.db2.gz FSLZWSDOVWZQJS-INIZCTEOSA-N 1 0 301.434 2.412 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc2nc(C)cc(C)n12 ZINC000248394073 145152553 /nfs/dbraw/zinc/15/25/53/145152553.db2.gz HHIVQJXQKWLMTR-CVEARBPZSA-N 1 0 313.449 2.405 10 0 DEAERO CN(C)c1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000248387800 145152831 /nfs/dbraw/zinc/15/28/31/145152831.db2.gz BVYRYSVRLCMWDM-ZIAGYGMSSA-N 1 0 317.437 2.096 10 0 DEAERO COC(=O)c1ccc(F)c(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000248404347 145153133 /nfs/dbraw/zinc/15/31/33/145153133.db2.gz QBMNKZUANCVHEZ-HNNXBMFYSA-N 1 0 306.381 2.282 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[C@@H]1CCCCO1 ZINC000248417499 145154364 /nfs/dbraw/zinc/15/43/64/145154364.db2.gz RHNMWWHCOPIRDM-PMPSAXMXSA-N 1 0 309.454 2.214 10 0 DEAERO CN1c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C3(C)C)cc2CCC1=O ZINC000248432350 145154805 /nfs/dbraw/zinc/15/48/05/145154805.db2.gz YYOTXSQVTJMLRH-ZTFGCOKTSA-N 1 0 314.429 2.499 10 0 DEAERO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)[C@@H]1CCCO1 ZINC000248597298 145161153 /nfs/dbraw/zinc/16/11/53/145161153.db2.gz MTHKOMXLSMRGMF-QANKJYHBSA-N 1 0 302.418 2.411 10 0 DEAERO CC(C)OC(=O)C[C@H]1CCC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248626254 145162136 /nfs/dbraw/zinc/16/21/36/145162136.db2.gz OCIWVUGEKBDIQV-HUUCEWRRSA-N 1 0 315.454 2.216 10 0 DEAERO C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000248691162 145164344 /nfs/dbraw/zinc/16/43/44/145164344.db2.gz YKBKHAUCTQYCRA-BONVTDFDSA-N 1 0 307.781 2.075 10 0 DEAERO COc1ccccc1N1CC[C@H]([N@@H+]2CCCC[C@@H]2[C@H](C)O)C1=O ZINC000248728073 145165576 /nfs/dbraw/zinc/16/55/76/145165576.db2.gz IRTBHIBNWNLROD-LZWOXQAQSA-N 1 0 318.417 2.036 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCC[C@H]2CCCCO2)C1 ZINC000248756640 145166171 /nfs/dbraw/zinc/16/61/71/145166171.db2.gz WNIDDXANIABHJX-BZUAXINKSA-N 1 0 311.470 2.364 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)CCOC)[C@@H](C)C1 ZINC000248761599 145167556 /nfs/dbraw/zinc/16/75/56/145167556.db2.gz YFKAXMOKKBWARO-GJZGRUSLSA-N 1 0 313.486 2.421 10 0 DEAERO CCC[C@H](C(=O)NC[C@@](C)(Cc1ccccc1)[C@H](C)O)[NH+](C)C ZINC000248853763 145170073 /nfs/dbraw/zinc/17/00/73/145170073.db2.gz CVPCLDBAIPKEDZ-KVSKMBFKSA-N 1 0 320.477 2.463 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000248858780 145170969 /nfs/dbraw/zinc/17/09/69/145170969.db2.gz PNPQWLPAUKTGNM-RCCFBDPRSA-N 1 0 316.445 2.233 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c[nH]c(=S)[nH]2)C1 ZINC000249282003 145181462 /nfs/dbraw/zinc/18/14/62/145181462.db2.gz NBLBSAYYWRPMIB-CHWSQXEVSA-N 1 0 322.478 2.425 10 0 DEAERO CSC[C@H](O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000249468648 145185006 /nfs/dbraw/zinc/18/50/06/145185006.db2.gz RFSIFPLIAGPBOT-XQQFMLRXSA-N 1 0 301.477 2.360 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)[C@@H](O)C2CCCCC2)[C@H]1c1ccccc1 ZINC000249783698 145190114 /nfs/dbraw/zinc/19/01/14/145190114.db2.gz LRPNONANWFARKA-KSZLIROESA-N 1 0 316.445 2.489 10 0 DEAERO C[C@@H](CNC(=O)[C@@H]1CCCO[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000251257367 145194136 /nfs/dbraw/zinc/19/41/36/145194136.db2.gz YGRZZUYBNXEYAR-YQQAZPJKSA-N 1 0 304.434 2.438 10 0 DEAERO CO[C@H]1C[N@H+](CC(=O)NCc2ccc(C)c(F)c2)CC[C@@H]1C ZINC000252011247 145198536 /nfs/dbraw/zinc/19/85/36/145198536.db2.gz XQJZQZXMURRIMP-BBRMVZONSA-N 1 0 308.397 2.107 10 0 DEAERO C[C@@H](CCc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252442119 145199003 /nfs/dbraw/zinc/19/90/03/145199003.db2.gz QKCIZOKMARHXRS-RDJZCZTQSA-N 1 0 301.434 2.497 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000253203960 145201410 /nfs/dbraw/zinc/20/14/10/145201410.db2.gz HNTLNTABPPVDTJ-CABCVRRESA-N 1 0 321.396 2.212 10 0 DEAERO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(=O)[nH]1 ZINC000253556119 145203234 /nfs/dbraw/zinc/20/32/34/145203234.db2.gz JPFCHXYBOIJEFF-CVEARBPZSA-N 1 0 311.385 2.271 10 0 DEAERO CC1(C)CN(C(=O)c2ncccc2Br)CC[C@@H]1[NH3+] ZINC000261589905 145208727 /nfs/dbraw/zinc/20/87/27/145208727.db2.gz WQKWIWKTBWYQRQ-JTQLQIEISA-N 1 0 312.211 2.044 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1ccc2c(c1)CCO2 ZINC000261640005 145212123 /nfs/dbraw/zinc/21/21/23/145212123.db2.gz DSYFXQHANLLIRE-JCKWVBRZSA-N 1 0 316.401 2.093 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)Cn1ncc2ccccc21 ZINC000261634991 145212340 /nfs/dbraw/zinc/21/23/40/145212340.db2.gz BOAQKJHDBQKAOL-UHFFFAOYSA-N 1 0 322.412 2.066 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2ccc(F)cc2Cl)CC[C@@H]1[NH3+] ZINC000261683992 145216044 /nfs/dbraw/zinc/21/60/44/145216044.db2.gz HBZWYDZUNRLGDA-LBPRGKRZSA-N 1 0 320.817 2.227 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CSc1ccc2c(c1)CCC2 ZINC000261684390 145216145 /nfs/dbraw/zinc/21/61/45/145216145.db2.gz IAFGXWZBNNPLGY-OLZOCXBDSA-N 1 0 304.459 2.463 10 0 DEAERO C[C@H]1CCN(C(=O)CCc2nc3ccccc3[nH]2)[C@H](C[NH3+])C1 ZINC000261696333 145217722 /nfs/dbraw/zinc/21/77/22/145217722.db2.gz FGKLJPZVHNBQSM-STQMWFEESA-N 1 0 300.406 2.081 10 0 DEAERO CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NCC1CC[NH2+]CC1 ZINC000261705847 145218543 /nfs/dbraw/zinc/21/85/43/145218543.db2.gz IKKBGRONTDAOOQ-MRXNPFEDSA-N 1 0 324.852 2.403 10 0 DEAERO Cc1cc(C)n2c(CN3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)cnc2n1 ZINC000261761375 145223632 /nfs/dbraw/zinc/22/36/32/145223632.db2.gz REGXXHOVXWISNF-ZWKOTPCHSA-N 1 0 321.428 2.273 10 0 DEAERO CC1(C)CN(CC(=O)N(Cc2ccccc2)C2CC2)CC[C@@H]1[NH3+] ZINC000261845408 145232746 /nfs/dbraw/zinc/23/27/46/145232746.db2.gz QYHNOKCLBLKFSP-KRWDZBQOSA-N 1 0 315.461 2.237 10 0 DEAERO C[C@@H]1CCCC[C@H]1NC(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261847286 145232918 /nfs/dbraw/zinc/23/29/18/145232918.db2.gz XMIMXJXTAIDNJP-SJLPKXTDSA-N 1 0 317.477 2.185 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000261845198 145233017 /nfs/dbraw/zinc/23/30/17/145233017.db2.gz VITIGNGFFURPTB-DOTOQJQBSA-N 1 0 312.417 2.049 10 0 DEAERO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261868181 145235391 /nfs/dbraw/zinc/23/53/91/145235391.db2.gz NWWKGXSABSCRSC-GJZGRUSLSA-N 1 0 302.418 2.207 10 0 DEAERO [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000261882775 145237400 /nfs/dbraw/zinc/23/74/00/145237400.db2.gz MUOPOGYMKPLSDC-GJZGRUSLSA-N 1 0 318.417 2.240 10 0 DEAERO Cc1cc(C(C)C)nc(N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261913177 145241240 /nfs/dbraw/zinc/24/12/40/145241240.db2.gz YTNSTEDSZPMTIP-GOSISDBHSA-N 1 0 317.481 2.030 10 0 DEAERO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261922144 145241723 /nfs/dbraw/zinc/24/17/23/145241723.db2.gz KONHEEVMZLBMHR-MPESAESLSA-N 1 0 307.438 2.142 10 0 DEAERO Cc1ccccc1CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000261923200 145242711 /nfs/dbraw/zinc/24/27/11/145242711.db2.gz RXUMEMPZMYVMEZ-TXPKVOOTSA-N 1 0 316.445 2.186 10 0 DEAERO CCc1ccc(C(=O)CCC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261944016 145245005 /nfs/dbraw/zinc/24/50/05/145245005.db2.gz JQAWHHLEEOENCN-SFHVURJKSA-N 1 0 302.418 2.409 10 0 DEAERO CN(Cc1ccc(F)cc1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261973999 145248221 /nfs/dbraw/zinc/24/82/21/145248221.db2.gz ZJYWFYKKGDZVSU-IIDMSEBBSA-N 1 0 320.408 2.317 10 0 DEAERO Fc1ccc(F)c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000262016253 145253672 /nfs/dbraw/zinc/25/36/72/145253672.db2.gz WAUQMYKMJNZLBK-OIISXLGYSA-N 1 0 310.388 2.254 10 0 DEAERO [NH3+]C1(c2noc([C@@H]3CCCN3C(=O)C3CCCC3)n2)CCC1 ZINC000262046644 145257043 /nfs/dbraw/zinc/25/70/43/145257043.db2.gz ZCKPUANAANZMQD-LBPRGKRZSA-N 1 0 304.394 2.261 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[C@@](C)(C[NH3+])C3)nc21 ZINC000262086536 145261015 /nfs/dbraw/zinc/26/10/15/145261015.db2.gz UCRBWRYAKLEVMD-KRWDZBQOSA-N 1 0 300.406 2.001 10 0 DEAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262094206 145261363 /nfs/dbraw/zinc/26/13/63/145261363.db2.gz YSSLEJQUZQEAKS-NWDGAFQWSA-N 1 0 318.808 2.335 10 0 DEAERO Cn1ccnc1CN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262124752 145263731 /nfs/dbraw/zinc/26/37/31/145263731.db2.gz MTFGHPLORDEKPP-CYBMUJFWSA-N 1 0 317.462 2.021 10 0 DEAERO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262280880 145273618 /nfs/dbraw/zinc/27/36/18/145273618.db2.gz KZJFHVKMRBOSGK-XBVQOTNRSA-N 1 0 302.418 2.493 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000262324270 145276737 /nfs/dbraw/zinc/27/67/37/145276737.db2.gz SMPFAHYJNRPERU-LRDDRELGSA-N 1 0 306.410 2.171 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N(Cc2ccco2)C[C@H]2CCCO2)CC[NH2+]1 ZINC000262378612 145279727 /nfs/dbraw/zinc/27/97/27/145279727.db2.gz NKHARUWGNNPQJR-OFQRWUPVSA-N 1 0 306.406 2.175 10 0 DEAERO CC[NH2+][C@H](C)CNC(=O)Cc1ccc(Br)s1 ZINC000262441911 145284497 /nfs/dbraw/zinc/28/44/97/145284497.db2.gz HSOHUVZBEOQDIT-MRVPVSSYSA-N 1 0 305.241 2.167 10 0 DEAERO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000262490925 145287683 /nfs/dbraw/zinc/28/76/83/145287683.db2.gz LAQFSFXDILFOAN-XUJVJEKNSA-N 1 0 306.406 2.269 10 0 DEAERO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@@H](C)C[NH3+] ZINC000262563792 145293514 /nfs/dbraw/zinc/29/35/14/145293514.db2.gz RFEIINAOKXGIHW-ZDUSSCGKSA-N 1 0 300.406 2.207 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@H]3CCCC[C@H]3C[NH3+])nc21 ZINC000262618104 145296535 /nfs/dbraw/zinc/29/65/35/145296535.db2.gz IDOWCHIDMMFRNU-KBPBESRZSA-N 1 0 314.433 2.438 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262667340 145299321 /nfs/dbraw/zinc/29/93/21/145299321.db2.gz KZZMAOWMGIONFB-ZNMIVQPWSA-N 1 0 304.438 2.076 10 0 DEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cc(OC)nc2ccccc12 ZINC000262708630 145301340 /nfs/dbraw/zinc/30/13/40/145301340.db2.gz OEPHTRKCYGQBLK-BZNIZROVSA-N 1 0 301.390 2.233 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)COc1cc(Cl)ccc1Cl ZINC000262793230 145304788 /nfs/dbraw/zinc/30/47/88/145304788.db2.gz NDYGHOSXIPAUHC-BXKDBHETSA-N 1 0 317.216 2.486 10 0 DEAERO Fc1ccccc1Oc1cc(CNC2=[NH+]CCCN2)ccn1 ZINC000262792815 145304853 /nfs/dbraw/zinc/30/48/53/145304853.db2.gz OMQDFJYSJXILFE-UHFFFAOYSA-N 1 0 300.337 2.452 10 0 DEAERO C[C@H]1C[C@H](NC(=O)C2=Cc3cc(Cl)ccc3OC2)CC[NH2+]1 ZINC000262952249 145313537 /nfs/dbraw/zinc/31/35/37/145313537.db2.gz VNEFXCRMXJVJLY-IINYFYTJSA-N 1 0 306.793 2.373 10 0 DEAERO COc1ccccc1/C(C)=C/c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263130999 145328033 /nfs/dbraw/zinc/32/80/33/145328033.db2.gz BQUNEUUNXRMHQD-WONIAPNHSA-N 1 0 314.389 2.215 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(Cc2cccc3ccccc32)n1 ZINC000263182096 145333470 /nfs/dbraw/zinc/33/34/70/145333470.db2.gz GWVUARBGIWFZKZ-INIZCTEOSA-N 1 0 308.385 2.390 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(OC(C)(C)C)cc2)n1 ZINC000263211755 145336431 /nfs/dbraw/zinc/33/64/31/145336431.db2.gz KIOGRQBHVFDFJQ-AWEZNQCLSA-N 1 0 316.405 2.490 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(CCc2ccc(Cl)s2)n1 ZINC000263210063 145336706 /nfs/dbraw/zinc/33/67/06/145336706.db2.gz KEJMYSGZWQNWMR-SNVBAGLBSA-N 1 0 312.826 2.146 10 0 DEAERO CCOC(=O)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309681449 145349816 /nfs/dbraw/zinc/34/98/16/145349816.db2.gz AQNPNYSWYUQCTF-BRWVUGGUSA-N 1 0 302.418 2.050 10 0 DEAERO CO[C@H](C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309921997 145350790 /nfs/dbraw/zinc/35/07/90/145350790.db2.gz RFKUWUDEUGDMLJ-XLNGHYISSA-N 1 0 302.418 2.048 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NCc1c(Br)cnn1C ZINC000336793070 145397493 /nfs/dbraw/zinc/39/74/93/145397493.db2.gz VHSIRHBVCNVHAK-NSHDSACASA-N 1 0 317.275 2.249 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NCC2(OC)CCC2)CC1 ZINC000357249890 147072396 /nfs/dbraw/zinc/07/23/96/147072396.db2.gz XBTGSUOIEQMHIG-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[S@](C)=O)C1 ZINC000358487717 147142855 /nfs/dbraw/zinc/14/28/55/147142855.db2.gz QZOSQGXRGNFNSW-DMZKTXOQSA-N 1 0 323.462 2.028 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000358604979 147165363 /nfs/dbraw/zinc/16/53/63/147165363.db2.gz MTGKRFHUYRZGQE-GJZGRUSLSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@@H](CSc1n[nH]c(=O)n1CCc1ccccc1)[NH+](C)C ZINC000358850877 147219408 /nfs/dbraw/zinc/21/94/08/147219408.db2.gz GYILAIOIVVRTLR-LBPRGKRZSA-N 1 0 306.435 2.269 10 0 DEAERO COCCN(C(=O)NCC[N@H+]1CC=C(C)CC1)[C@H]1CC[C@@H](C)C1 ZINC000359285298 147299509 /nfs/dbraw/zinc/29/95/09/147299509.db2.gz ZWBSACRUGZSZIZ-SJORKVTESA-N 1 0 323.481 2.485 10 0 DEAERO C[C@H](C(=O)NCc1ccc2cc[nH]c2n1)[NH+]1CCCCCC1 ZINC000359407017 147322474 /nfs/dbraw/zinc/32/24/74/147322474.db2.gz BNVNPTNGXQVMOU-CYBMUJFWSA-N 1 0 300.406 2.444 10 0 DEAERO NC(=O)[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000359440188 147327652 /nfs/dbraw/zinc/32/76/52/147327652.db2.gz OWGKZILGRMXLKA-RHSMWYFYSA-N 1 0 312.369 2.033 10 0 DEAERO CC1=CCN(CC[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000565497285 292166132 /nfs/dbraw/zinc/16/61/32/292166132.db2.gz PHHUCYGUCGYSDW-AWEZNQCLSA-N 1 0 315.417 2.320 10 0 DEAERO O=C(Nc1cccc2c1OCCC2)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000370537937 148028635 /nfs/dbraw/zinc/02/86/35/148028635.db2.gz HYQMXERRJCLYQZ-HNNXBMFYSA-N 1 0 313.401 2.490 10 0 DEAERO O=C1C[C@@H]([NH2+]CC2=CCCOC2)CN1c1ccccc1Cl ZINC000370758117 148052579 /nfs/dbraw/zinc/05/25/79/148052579.db2.gz RAUAJAIKBKZDHW-CYBMUJFWSA-N 1 0 306.793 2.382 10 0 DEAERO C/C(=C\c1ccc(C)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000371500268 148110231 /nfs/dbraw/zinc/11/02/31/148110231.db2.gz MKGSGZUYICKQOW-SVEZXWBTSA-N 1 0 314.429 2.378 10 0 DEAERO Cc1csc(=O)n1CC[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000371822267 148143661 /nfs/dbraw/zinc/14/36/61/148143661.db2.gz ITAQMOPYROZLQF-UHFFFAOYSA-N 1 0 318.446 2.196 10 0 DEAERO O=C(c1ccnc2ccncc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000372325367 148194457 /nfs/dbraw/zinc/19/44/57/148194457.db2.gz KWLGUSYXGPDCAR-AWEZNQCLSA-N 1 0 310.401 2.188 10 0 DEAERO CC(=O)CCN(C)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000372327104 148194501 /nfs/dbraw/zinc/19/45/01/148194501.db2.gz XDCFTPJZUPZNBL-INIZCTEOSA-N 1 0 320.408 2.475 10 0 DEAERO Cc1cccc2ncc(C[N@@H+]3CCCN(c4cccnn4)CC3)n21 ZINC000372409547 148205089 /nfs/dbraw/zinc/20/50/89/148205089.db2.gz HAECNGONGQHVAG-UHFFFAOYSA-N 1 0 322.416 2.145 10 0 DEAERO C=Cn1cc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cn1 ZINC000374281956 148225676 /nfs/dbraw/zinc/22/56/76/148225676.db2.gz ZZAKMPZCTLPNIG-PBHICJAKSA-N 1 0 310.401 2.263 10 0 DEAERO CC[N@@H+](Cc1ccccc1Cl)C[C@H](O)CN1CCCC1=O ZINC000111683349 401720709 /nfs/dbraw/zinc/72/07/09/401720709.db2.gz JBNGQQIQRSLVRT-AWEZNQCLSA-N 1 0 310.825 2.145 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000111836811 401725425 /nfs/dbraw/zinc/72/54/25/401725425.db2.gz LBIMDHKDFNDUFF-CVEARBPZSA-N 1 0 319.453 2.022 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1c2ccccc2C[C@@H]1C ZINC000111865946 401726183 /nfs/dbraw/zinc/72/61/83/401726183.db2.gz XYQCVSQGDYWPOY-GOEBONIOSA-N 1 0 317.433 2.258 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000074167316 401731742 /nfs/dbraw/zinc/73/17/42/401731742.db2.gz MGKIAVDARJONTE-BBRMVZONSA-N 1 0 309.454 2.070 10 0 DEAERO CCOCCN1CCN(Cc2cnc(CC(C)C)s2)CC1 ZINC000127488841 401737131 /nfs/dbraw/zinc/73/71/31/401737131.db2.gz ZRZXYBRUXQOYSE-UHFFFAOYSA-N 1 0 311.495 2.496 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc3nc[nH]c32)CC[N@@H+]1C ZINC000127634285 401743178 /nfs/dbraw/zinc/74/31/78/401743178.db2.gz NYMRPTFDUUZBKS-ZYHUDNBSSA-N 1 0 304.369 2.257 10 0 DEAERO O=C(NC[C@@H]1CCCO1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000000317506 401694501 /nfs/dbraw/zinc/69/45/01/401694501.db2.gz ZBOIXGYNLAYVOG-WBVHZDCISA-N 1 0 306.450 2.350 10 0 DEAERO Fc1cc(Br)ccc1C[NH2+]CCCn1ccnn1 ZINC000126472438 401695698 /nfs/dbraw/zinc/69/56/98/401695698.db2.gz MVERFKQQYBWVKY-UHFFFAOYSA-N 1 0 313.174 2.360 10 0 DEAERO COc1ccccc1[C@@H](C[NH3+])S(=O)(=O)c1ccc(C)cc1 ZINC000008037202 401747472 /nfs/dbraw/zinc/74/74/72/401747472.db2.gz XWFJAHOIVFRBGO-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn2c1CCCC2 ZINC000126881561 401711799 /nfs/dbraw/zinc/71/17/99/401711799.db2.gz PKYSNGHXIRUBPD-AWEZNQCLSA-N 1 0 304.438 2.214 10 0 DEAERO CC(C)c1cc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)on1 ZINC000072804900 401712422 /nfs/dbraw/zinc/71/24/22/401712422.db2.gz RKRKULPBOHGGFA-CYBMUJFWSA-N 1 0 321.421 2.123 10 0 DEAERO CN(C)c1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008037937 401747963 /nfs/dbraw/zinc/74/79/63/401747963.db2.gz RXPDAHAPUUYJET-MRXNPFEDSA-N 1 0 322.405 2.365 10 0 DEAERO C[NH2+][C@H](C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1)C(C)C ZINC000002561158 401714797 /nfs/dbraw/zinc/71/47/97/401714797.db2.gz JEHIFQTZKVQDNQ-HOTGVXAUSA-N 1 0 319.449 2.400 10 0 DEAERO C[C@H](CNC(=O)N1CCC[N@@H+](C2CC2)CC1)Oc1ccccc1 ZINC000073230470 401716893 /nfs/dbraw/zinc/71/68/93/401716893.db2.gz SQXVZDKIEOVRLD-OAHLLOKOSA-N 1 0 317.433 2.334 10 0 DEAERO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H]2C[C@H]2C)CC1 ZINC000127036141 401717517 /nfs/dbraw/zinc/71/75/17/401717517.db2.gz IAHBEBXQLVOZEZ-ZBFHGGJFSA-N 1 0 311.470 2.175 10 0 DEAERO CCC(C)(C)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415773 401798548 /nfs/dbraw/zinc/79/85/48/401798548.db2.gz KYARDVIGEJHZGO-UHFFFAOYSA-N 1 0 318.465 2.228 10 0 DEAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)CC(C)(C)C)CC2)nc1 ZINC000114413833 401798672 /nfs/dbraw/zinc/79/86/72/401798672.db2.gz SCYYSLQIEVAEEL-UHFFFAOYSA-N 1 0 318.465 2.228 10 0 DEAERO C[NH+](C)C1CCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000127899218 401755173 /nfs/dbraw/zinc/75/51/73/401755173.db2.gz YSNHKGMFSLMKDZ-QGZVFWFLSA-N 1 0 319.424 2.171 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000127938773 401756764 /nfs/dbraw/zinc/75/67/64/401756764.db2.gz RQDNAUYQGQYFBR-CYBMUJFWSA-N 1 0 317.433 2.242 10 0 DEAERO CC(C)[C@H](c1ccccc1)N(C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000112749135 401757445 /nfs/dbraw/zinc/75/74/45/401757445.db2.gz OSGGOCOAVCVGEL-IAGOWNOFSA-N 1 0 319.449 2.356 10 0 DEAERO CN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1nccs1 ZINC000127963267 401757642 /nfs/dbraw/zinc/75/76/42/401757642.db2.gz SHINZWWXXKGVLU-OLZOCXBDSA-N 1 0 319.434 2.076 10 0 DEAERO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)Nc1nccs1 ZINC000128041376 401760134 /nfs/dbraw/zinc/76/01/34/401760134.db2.gz IEUVRKQSUAYHAK-NEPJUHHUSA-N 1 0 305.407 2.052 10 0 DEAERO CCc1cnc(CCNC(=O)NC[C@H]2CCCC[N@H+]2CC)s1 ZINC000075811051 401769085 /nfs/dbraw/zinc/76/90/85/401769085.db2.gz QVUNFHMGQXVNFO-CYBMUJFWSA-N 1 0 324.494 2.422 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000113185763 401769196 /nfs/dbraw/zinc/76/91/96/401769196.db2.gz UDLOVBVTUKULJS-UHFFFAOYSA-N 1 0 319.380 2.480 10 0 DEAERO COC(=O)Nc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113229639 401771997 /nfs/dbraw/zinc/77/19/97/401771997.db2.gz PTRFBGHOTHHAHQ-IUODEOHRSA-N 1 0 317.389 2.174 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1cnc2ccccc2n1 ZINC000113233800 401772614 /nfs/dbraw/zinc/77/26/14/401772614.db2.gz IKZIEUVMXJGVCO-MOIGAOQCSA-N 1 0 322.412 2.338 10 0 DEAERO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128362582 401773564 /nfs/dbraw/zinc/77/35/64/401773564.db2.gz SWKUSIMPZAFGBJ-KDOFPFPSSA-N 1 0 318.417 2.261 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000113268173 401773638 /nfs/dbraw/zinc/77/36/38/401773638.db2.gz IPOSQPMEYHSTLB-QWHCGFSZSA-N 1 0 320.437 2.079 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)[C@@H]1C ZINC000113269380 401774006 /nfs/dbraw/zinc/77/40/06/401774006.db2.gz MUDRGGMFPCWXLS-ALYAQQCSSA-N 1 0 307.482 2.096 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C1CC1)C1CCCC1 ZINC000113269143 401774027 /nfs/dbraw/zinc/77/40/27/401774027.db2.gz YVWMIIMTTXKSOY-WMLDXEAASA-N 1 0 305.466 2.089 10 0 DEAERO Cc1cccc(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1C ZINC000113271280 401774559 /nfs/dbraw/zinc/77/45/59/401774559.db2.gz ZDMFCWVEFXXIQA-HOCLYGCPSA-N 1 0 301.434 2.410 10 0 DEAERO CC1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000128422285 401775858 /nfs/dbraw/zinc/77/58/58/401775858.db2.gz JIUDFLLNFBUAKA-JKSUJKDBSA-N 1 0 304.438 2.215 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)s1 ZINC000113305325 401775926 /nfs/dbraw/zinc/77/59/26/401775926.db2.gz BAAHWJDCYRRTFF-GWCFXTLKSA-N 1 0 314.476 2.222 10 0 DEAERO COc1cccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113367069 401777485 /nfs/dbraw/zinc/77/74/85/401777485.db2.gz JZXLBIMXOJXKES-UKRRQHHQSA-N 1 0 303.406 2.073 10 0 DEAERO CN(CC(=O)NC(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110213 401783563 /nfs/dbraw/zinc/78/35/63/401783563.db2.gz LWJULJKYDRTIRB-KRWDZBQOSA-N 1 0 317.477 2.355 10 0 DEAERO CC(C)(C)CN1CCC[C@]2(CC[N@H+](Cc3ncc[nH]3)C2)C1=O ZINC000012433516 401785670 /nfs/dbraw/zinc/78/56/70/401785670.db2.gz NTGHHAVGXXTRCQ-QGZVFWFLSA-N 1 0 304.438 2.270 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000128665740 401786934 /nfs/dbraw/zinc/78/69/34/401786934.db2.gz ABBSXKDAQDCVQT-MSQAHXEGSA-N 1 0 315.417 2.281 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000076298562 401789585 /nfs/dbraw/zinc/78/95/85/401789585.db2.gz AQIYBGCACGBOAI-RDJZCZTQSA-N 1 0 304.434 2.453 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)NCC[C@@H](C)O)Cc1ccccc1 ZINC000114822409 401811202 /nfs/dbraw/zinc/81/12/02/401811202.db2.gz TUPQJNWYPJSWOY-WBVHZDCISA-N 1 0 321.465 2.010 10 0 DEAERO Cc1ccc(N2CC[C@@H](N3CCC([NH+](C)C)CC3)C2=O)cc1 ZINC000130235454 401823849 /nfs/dbraw/zinc/82/38/49/401823849.db2.gz ZHBXQNGNKQJIIH-QGZVFWFLSA-N 1 0 301.434 2.126 10 0 DEAERO COc1ccc(CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000077730528 401827789 /nfs/dbraw/zinc/82/77/89/401827789.db2.gz WFNPNGQUQGQTMS-HNNXBMFYSA-N 1 0 322.449 2.339 10 0 DEAERO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000077772767 401830415 /nfs/dbraw/zinc/83/04/15/401830415.db2.gz ZKOZGNOFKIWBPF-CABCVRRESA-N 1 0 321.465 2.345 10 0 DEAERO CC(C)CC[C@](C)(O)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000077776962 401830870 /nfs/dbraw/zinc/83/08/70/401830870.db2.gz NTAIVTVQHJLVRP-WBVHZDCISA-N 1 0 315.502 2.449 10 0 DEAERO Cc1csc(CN(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000130453550 401832831 /nfs/dbraw/zinc/83/28/31/401832831.db2.gz JHGLUYRBXMOEDM-ZDUSSCGKSA-N 1 0 303.435 2.342 10 0 DEAERO CCS(=O)(=O)NCCC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000130660701 401836644 /nfs/dbraw/zinc/83/66/44/401836644.db2.gz WBCYPPPZIOYUHY-UHFFFAOYSA-N 1 0 308.447 2.105 10 0 DEAERO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCOCC1 ZINC000027337218 401844566 /nfs/dbraw/zinc/84/45/66/401844566.db2.gz JEUIFPQFYDLGAT-UHFFFAOYSA-N 1 0 317.433 2.214 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000131306774 401847908 /nfs/dbraw/zinc/84/79/08/401847908.db2.gz VDJAXONUAXERMH-ZDUSSCGKSA-N 1 0 318.465 2.464 10 0 DEAERO COCc1ccc([C@H]2CCCN2C[C@@H](C)CS(C)(=O)=O)o1 ZINC000131365969 401849000 /nfs/dbraw/zinc/84/90/00/401849000.db2.gz POBAQYATHALFJC-TZMCWYRMSA-N 1 0 315.435 2.244 10 0 DEAERO O=C(NC1CC[NH+](CCn2ccnc2)CC1)C1CCCCC1 ZINC000131844728 401858028 /nfs/dbraw/zinc/85/80/28/401858028.db2.gz LLLLZORVZGDOCC-UHFFFAOYSA-N 1 0 304.438 2.044 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c(s2)CCCC3)CCO1 ZINC000116796253 401859219 /nfs/dbraw/zinc/85/92/19/401859219.db2.gz WNUURAHSLSHQTO-CYBMUJFWSA-N 1 0 308.447 2.030 10 0 DEAERO Cc1ccc(CCC(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000116791935 401859472 /nfs/dbraw/zinc/85/94/72/401859472.db2.gz GESGYSTURDCUIL-QGZVFWFLSA-N 1 0 304.434 2.025 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)CCOc2ccccc2)[C@@H](C)C1 ZINC000132390523 401866131 /nfs/dbraw/zinc/86/61/31/401866131.db2.gz PQTUYMRTJXHCFX-RDJZCZTQSA-N 1 0 319.449 2.436 10 0 DEAERO Cc1cc(C)c(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000117040562 401867971 /nfs/dbraw/zinc/86/79/71/401867971.db2.gz PHDFKRQGJGAXNW-MRXNPFEDSA-N 1 0 319.449 2.084 10 0 DEAERO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCCC2(C)C)cc1 ZINC000077382662 401812382 /nfs/dbraw/zinc/81/23/82/401812382.db2.gz SZTPXDUZKRRGFT-UHFFFAOYSA-N 1 0 303.406 2.201 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)O1 ZINC000129961261 401813091 /nfs/dbraw/zinc/81/30/91/401813091.db2.gz UKAYDBXVLHJPDW-PBHICJAKSA-N 1 0 302.418 2.119 10 0 DEAERO CCOC[C@@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119100024 401925783 /nfs/dbraw/zinc/92/57/83/401925783.db2.gz CXFFFUSLTKAOGX-HWOWSKLDSA-N 1 0 311.470 2.175 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)N(C)c1ccccc1 ZINC000135080051 401926158 /nfs/dbraw/zinc/92/61/58/401926158.db2.gz BMRNRVPGJUEDHB-NVXWUHKLSA-N 1 0 301.434 2.208 10 0 DEAERO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)/C=C/c1ccccc1 ZINC000040746801 401926127 /nfs/dbraw/zinc/92/61/27/401926127.db2.gz YTJGWAJQWVDMKZ-VFJJTBCNSA-N 1 0 306.431 2.202 10 0 DEAERO COCCC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CCCC1 ZINC000119104399 401926289 /nfs/dbraw/zinc/92/62/89/401926289.db2.gz AXMVTTNYBUDAJM-HZPDHXFCSA-N 1 0 323.481 2.461 10 0 DEAERO CCc1noc(CC)c1CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000087192634 401929048 /nfs/dbraw/zinc/92/90/48/401929048.db2.gz XMGPLOMPDARYCO-CYBMUJFWSA-N 1 0 309.454 2.434 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C(C)(C)CCO)C1 ZINC000135227400 401930636 /nfs/dbraw/zinc/93/06/36/401930636.db2.gz MLRGCHZGKMGUCJ-CYBMUJFWSA-N 1 0 300.443 2.384 10 0 DEAERO CC[C@H]1CN(C(=O)CCc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000117304106 401873756 /nfs/dbraw/zinc/87/37/56/401873756.db2.gz KAKIHKYKKQPXKX-KRWDZBQOSA-N 1 0 322.424 2.328 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(F)nc2)C[C@@H]1CC ZINC000133015618 401878130 /nfs/dbraw/zinc/87/81/30/401878130.db2.gz SRXIVRRXBOQDNC-AWEZNQCLSA-N 1 0 324.400 2.185 10 0 DEAERO C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCCO1 ZINC000079733357 401880663 /nfs/dbraw/zinc/88/06/63/401880663.db2.gz DGYCHKRNQFTPTC-BHYGNILZSA-N 1 0 319.449 2.026 10 0 DEAERO C[C@@H](CCC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000133317041 401881955 /nfs/dbraw/zinc/88/19/55/401881955.db2.gz JHKYUFGXXWPIJT-RDJZCZTQSA-N 1 0 304.434 2.359 10 0 DEAERO NC(=O)[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1 ZINC000133372505 401883839 /nfs/dbraw/zinc/88/38/39/401883839.db2.gz OKFYZKUBALYLIA-HUUCEWRRSA-N 1 0 306.381 2.434 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cccc(OC)c1OC ZINC000079982319 401885329 /nfs/dbraw/zinc/88/53/29/401885329.db2.gz OWBVECJACFCMQA-CYBMUJFWSA-N 1 0 323.437 2.233 10 0 DEAERO CC[NH+](CC)[C@H](C(=O)NCCn1cc(C)cn1)c1ccccc1 ZINC000117811555 401885588 /nfs/dbraw/zinc/88/55/88/401885588.db2.gz HHZYCNHFMFEOOE-KRWDZBQOSA-N 1 0 314.433 2.391 10 0 DEAERO CC(C)C[C@H](C)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000133426694 401885688 /nfs/dbraw/zinc/88/56/88/401885688.db2.gz SDGVJPXZZLVXIL-IRXDYDNUSA-N 1 0 324.513 2.233 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(F)c(C)c1 ZINC000118020009 401889242 /nfs/dbraw/zinc/88/92/42/401889242.db2.gz PUMUJISCLKZLPV-CQSZACIVSA-N 1 0 309.385 2.366 10 0 DEAERO C[C@@H]1OCC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000134449579 401904055 /nfs/dbraw/zinc/90/40/55/401904055.db2.gz VUPSDVOZLFOSEV-YOEHRIQHSA-N 1 0 317.433 2.259 10 0 DEAERO CO[C@H](C)c1cccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000118816194 401909849 /nfs/dbraw/zinc/90/98/49/401909849.db2.gz PXVSYMRWRXQSQL-CZUORRHYSA-N 1 0 321.421 2.188 10 0 DEAERO CC(C)[C@H](O)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000134864528 401917214 /nfs/dbraw/zinc/91/72/14/401917214.db2.gz HGSIKMFDUJDNRI-ZIAGYGMSSA-N 1 0 300.443 2.240 10 0 DEAERO CC(C)OCCC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000119006474 401918617 /nfs/dbraw/zinc/91/86/17/401918617.db2.gz ZEMADTQFXAJUHF-UHFFFAOYSA-N 1 0 316.396 2.211 10 0 DEAERO COCCC1(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)CCC1 ZINC000119845403 401968917 /nfs/dbraw/zinc/96/89/17/401968917.db2.gz LKGKCBKYKBDYSP-OAHLLOKOSA-N 1 0 313.486 2.469 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000136808763 401974596 /nfs/dbraw/zinc/97/45/96/401974596.db2.gz KPWRSJGWZKRFCG-INIZCTEOSA-N 1 0 318.465 2.432 10 0 DEAERO CCc1nc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cs1 ZINC000120153600 401980503 /nfs/dbraw/zinc/98/05/03/401980503.db2.gz DSYZMILGXDMBSU-WCQYABFASA-N 1 0 310.467 2.233 10 0 DEAERO COc1ncccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000047548850 401983460 /nfs/dbraw/zinc/98/34/60/401983460.db2.gz FTXPLMMYJNRNBW-UHFFFAOYSA-N 1 0 304.394 2.182 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccccc2Cl)C1 ZINC000150778732 401995340 /nfs/dbraw/zinc/99/53/40/401995340.db2.gz LTKDGQBBOFVCKP-RISCZKNCSA-N 1 0 323.824 2.123 10 0 DEAERO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2cncn2C)C1 ZINC000135465019 401940697 /nfs/dbraw/zinc/94/06/97/401940697.db2.gz IZTUDPUKWSWPPB-CVEARBPZSA-N 1 0 313.401 2.199 10 0 DEAERO CCCN(CC[NH+](CC)CC)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000119391916 401947180 /nfs/dbraw/zinc/94/71/80/401947180.db2.gz YRZKWTKOQDRTMU-HNNXBMFYSA-N 1 0 319.515 2.017 10 0 DEAERO O=S(=O)([C@@H]1CC[N@H+](CCCc2ccccc2)C1)N1CCCC1 ZINC000135661435 401950254 /nfs/dbraw/zinc/95/02/54/401950254.db2.gz GLQFRYXENBXYMZ-QGZVFWFLSA-N 1 0 322.474 2.119 10 0 DEAERO C[C@H](C[NH2+][C@H](C)c1nc2c(s1)CCCC2)N1CCOCC1 ZINC000093371633 402014371 /nfs/dbraw/zinc/01/43/71/402014371.db2.gz FIKPEJKMVQNTEO-CHWSQXEVSA-N 1 0 309.479 2.393 10 0 DEAERO CSCCCCNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000121100211 402015251 /nfs/dbraw/zinc/01/52/51/402015251.db2.gz LSIJISSZBNJPIA-AWEZNQCLSA-N 1 0 301.500 2.407 10 0 DEAERO C[NH2+][C@H](CCO)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095075715 402023865 /nfs/dbraw/zinc/02/38/65/402023865.db2.gz IVVPMBQCWQKGFE-JKSUJKDBSA-N 1 0 306.406 2.006 10 0 DEAERO CC(C)(C)OC(=O)N1CCC([NH2+]CC(=O)c2ccccn2)CC1 ZINC000095083530 402024509 /nfs/dbraw/zinc/02/45/09/402024509.db2.gz OHUYRPDRPSNGCQ-UHFFFAOYSA-N 1 0 319.405 2.253 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]CC(=O)c2ccc[nH]2)C1 ZINC000095083944 402024644 /nfs/dbraw/zinc/02/46/44/402024644.db2.gz RIULAXQHBAQVIW-LBPRGKRZSA-N 1 0 307.394 2.044 10 0 DEAERO COc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000151272790 402027102 /nfs/dbraw/zinc/02/71/02/402027102.db2.gz AZAIPVBRJRFXKG-DZGCQCFKSA-N 1 0 310.413 2.332 10 0 DEAERO O[C@@H](CN[C@@H]1CCCOc2ccccc21)C[NH+]1CCCCC1 ZINC000151309580 402029220 /nfs/dbraw/zinc/02/92/20/402029220.db2.gz FEVQCHXORMGSMN-DOTOQJQBSA-N 1 0 304.434 2.337 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCc2ccccc2F)CC1 ZINC000121373092 402031713 /nfs/dbraw/zinc/03/17/13/402031713.db2.gz OAECKMFADWOKOQ-GOSISDBHSA-N 1 0 319.468 2.470 10 0 DEAERO C[C@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)[NH+]1CCCCCC1 ZINC000151524543 402041650 /nfs/dbraw/zinc/04/16/50/402041650.db2.gz WBFGLVOAWABVOM-WBVHZDCISA-N 1 0 317.433 2.326 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(C)nn2C)cc1F ZINC000121525370 402042175 /nfs/dbraw/zinc/04/21/75/402042175.db2.gz IKEVHLITHPULCQ-NSHDSACASA-N 1 0 320.368 2.166 10 0 DEAERO Cn1cc(C[N@@H+]2CCCN(Cc3cc(F)cc(F)c3)CC2)cn1 ZINC000121541344 402042560 /nfs/dbraw/zinc/04/25/60/402042560.db2.gz KSJJJEKPEDICBE-UHFFFAOYSA-N 1 0 320.387 2.406 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](OC)c2ccccc2)C1 ZINC000052523340 402043643 /nfs/dbraw/zinc/04/36/43/402043643.db2.gz UXMUHMBIUWLBOW-HOTGVXAUSA-N 1 0 305.422 2.158 10 0 DEAERO CC(C)C[C@H](CCO)CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120861441 402004784 /nfs/dbraw/zinc/00/47/84/402004784.db2.gz YOYNLUQJBYXUHU-PMPSAXMXSA-N 1 0 313.486 2.155 10 0 DEAERO Cc1ccsc1CNC(=O)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000121984956 402058583 /nfs/dbraw/zinc/05/85/83/402058583.db2.gz XELDMDAQFNODSG-KBPBESRZSA-N 1 0 308.447 2.316 10 0 DEAERO Cc1nn(C)cc1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000092754567 402008034 /nfs/dbraw/zinc/00/80/34/402008034.db2.gz XMEOGKXRVPMEOV-ZDUSSCGKSA-N 1 0 306.454 2.101 10 0 DEAERO COc1ccc(C(F)(F)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000151819127 402058625 /nfs/dbraw/zinc/05/86/25/402058625.db2.gz QKJMRCPBVZVWIB-GXTWGEPZSA-N 1 0 324.371 2.482 10 0 DEAERO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000122300774 402071399 /nfs/dbraw/zinc/07/13/99/402071399.db2.gz ZOMWTFWJMSQLKA-GFCCVEGCSA-N 1 0 316.323 2.325 10 0 DEAERO CC(=O)CCN(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122357798 402074398 /nfs/dbraw/zinc/07/43/98/402074398.db2.gz BHXYDJWFZWVQSC-UHFFFAOYSA-N 1 0 301.289 2.428 10 0 DEAERO COc1ccc([C@H](C)[NH2+]Cc2ccnn2C)cc1NC(C)=O ZINC000152203160 402081875 /nfs/dbraw/zinc/08/18/75/402081875.db2.gz DEQCVTXPQBATEX-NSHDSACASA-N 1 0 302.378 2.238 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccccc2F)CC[N@@H+]1C ZINC000123311312 402120770 /nfs/dbraw/zinc/12/07/70/402120770.db2.gz MATFSKGNDDKTQQ-ZBFHGGJFSA-N 1 0 321.440 2.199 10 0 DEAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152284972 402087007 /nfs/dbraw/zinc/08/70/07/402087007.db2.gz CURAMFPEZCWRNM-UONOGXRCSA-N 1 0 322.453 2.038 10 0 DEAERO COCCOc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122758704 402093492 /nfs/dbraw/zinc/09/34/92/402093492.db2.gz IPNMYASCMFJZLA-CABCVRRESA-N 1 0 320.433 2.267 10 0 DEAERO COc1cccc(OCC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000058907745 402103200 /nfs/dbraw/zinc/10/32/00/402103200.db2.gz WDGONUSLIJNEKX-UHFFFAOYSA-N 1 0 318.417 2.161 10 0 DEAERO CC[C@H]([NH2+]C[C@H](C)Cc1ccccc1)C(=O)N1CCOCC1 ZINC000152736838 402106551 /nfs/dbraw/zinc/10/65/51/402106551.db2.gz AKOHQFFTIUOZIA-WBVHZDCISA-N 1 0 304.434 2.092 10 0 DEAERO CC(C)CC[C@@](C)(O)CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000152892152 402115142 /nfs/dbraw/zinc/11/51/42/402115142.db2.gz RYXXUWKBQYAWGS-QGZVFWFLSA-N 1 0 313.486 2.346 10 0 DEAERO CC(=O)c1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123283288 402119656 /nfs/dbraw/zinc/11/96/56/402119656.db2.gz YUKLQFALPBYEIY-DYVFJYSZSA-N 1 0 317.433 2.242 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cn(C)nc1-c1ccncc1 ZINC000123439614 402128401 /nfs/dbraw/zinc/12/84/01/402128401.db2.gz NIIISXSCZUCZKM-QGZVFWFLSA-N 1 0 313.449 2.398 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2Cc3cc(F)ccc3O2)CC[N@@H+]1C ZINC000123467312 402129177 /nfs/dbraw/zinc/12/91/77/402129177.db2.gz NNOVPMODMPDZPV-WPGHFRTFSA-N 1 0 306.381 2.070 10 0 DEAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066391725 402132221 /nfs/dbraw/zinc/13/22/21/402132221.db2.gz RVEUJXKXFRDHTJ-DTWKUNHWSA-N 1 0 315.776 2.364 10 0 DEAERO C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)N1CCOCC1 ZINC000123542095 402133105 /nfs/dbraw/zinc/13/31/05/402133105.db2.gz RUMXWSJMLUXQNA-CABCVRRESA-N 1 0 320.433 2.219 10 0 DEAERO CC[C@@](C)(O)C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000123558325 402134218 /nfs/dbraw/zinc/13/42/18/402134218.db2.gz FMDDEWRKSZWLRS-GOEBONIOSA-N 1 0 312.479 2.214 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)Nc2cc(C(C)(C)C)no2)CC[N@@H+]1C ZINC000123618009 402138653 /nfs/dbraw/zinc/13/86/53/402138653.db2.gz YFOLKYKSEJYNBS-CHWSQXEVSA-N 1 0 322.453 2.325 10 0 DEAERO CCC[C@H](C(=O)N1CCC(c2nncn2C(C)C)CC1)[NH+](C)C ZINC000153412956 402143392 /nfs/dbraw/zinc/14/33/92/402143392.db2.gz DXJBRGYDDIUQLN-OAHLLOKOSA-N 1 0 321.469 2.295 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@H]1OC ZINC000123740569 402144028 /nfs/dbraw/zinc/14/40/28/402144028.db2.gz IEZJJMMVFQGHQN-ARFHVFGLSA-N 1 0 321.465 2.236 10 0 DEAERO Cc1cccc(CNC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123788081 402146032 /nfs/dbraw/zinc/14/60/32/402146032.db2.gz DOYKTCJACSPCBL-WBVHZDCISA-N 1 0 303.450 2.026 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(-c3ccccc3)nc2)C1 ZINC000066921643 402146217 /nfs/dbraw/zinc/14/62/17/402146217.db2.gz XTKQPRDYNWPGDE-MRXNPFEDSA-N 1 0 310.401 2.358 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCC(F)(F)F ZINC000153470960 402147615 /nfs/dbraw/zinc/14/76/15/402147615.db2.gz XHLXYIOBSJRJQP-WDEREUQCSA-N 1 0 310.385 2.367 10 0 DEAERO Cc1cccc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)n1 ZINC000123905151 402153431 /nfs/dbraw/zinc/15/34/31/402153431.db2.gz SCQQYERIBWHKJY-UHFFFAOYSA-N 1 0 302.422 2.160 10 0 DEAERO COc1cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)ccc1F ZINC000153528875 402151400 /nfs/dbraw/zinc/15/14/00/402151400.db2.gz HGORAFGGDJLJBG-GXFFZTMASA-N 1 0 304.369 2.400 10 0 DEAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2ccnn2C)C1 ZINC000123974234 402156967 /nfs/dbraw/zinc/15/69/67/402156967.db2.gz DSZVKBFRJJMBOW-HNNXBMFYSA-N 1 0 320.481 2.370 10 0 DEAERO Cc1cccc(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000123970674 402157088 /nfs/dbraw/zinc/15/70/88/402157088.db2.gz DVPPDCQWGBLREC-UHFFFAOYSA-N 1 0 324.428 2.248 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000123940902 402155299 /nfs/dbraw/zinc/15/52/99/402155299.db2.gz BITYTFXOQZILDK-DGCLKSJQSA-N 1 0 311.376 2.318 10 0 DEAERO Cc1ccc(NC(=O)CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000104079994 402197924 /nfs/dbraw/zinc/19/79/24/402197924.db2.gz UCYMFUGXDSJQFY-UHFFFAOYSA-N 1 0 301.434 2.494 10 0 DEAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCOCC1 ZINC000067529146 402161526 /nfs/dbraw/zinc/16/15/26/402161526.db2.gz ICIYIMLEBLRSRC-QGZVFWFLSA-N 1 0 317.433 2.083 10 0 DEAERO CC[C@@H](O)CC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000124200095 402168873 /nfs/dbraw/zinc/16/88/73/402168873.db2.gz PPUAONCHHNNBAK-ZIAGYGMSSA-N 1 0 300.443 2.384 10 0 DEAERO C[C@H](c1ccco1)N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000069103765 402213529 /nfs/dbraw/zinc/21/35/29/402213529.db2.gz VMIAJWMVSOXPQW-CQSZACIVSA-N 1 0 309.410 2.094 10 0 DEAERO CCn1c(C[N@H+](C)CCCC(=O)NC)nc2cc(F)ccc21 ZINC000154571488 402219529 /nfs/dbraw/zinc/21/95/29/402219529.db2.gz ZEAIIKPGEULSSB-UHFFFAOYSA-N 1 0 306.385 2.153 10 0 DEAERO CC[C@H](C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1)[NH+](C)C ZINC000125258476 402222087 /nfs/dbraw/zinc/22/20/87/402222087.db2.gz XILYEFQGIKVGNL-RHSMWYFYSA-N 1 0 319.449 2.120 10 0 DEAERO C[NH+]1CCC(CCNC(=O)c2ccc(-c3ncon3)cc2)CC1 ZINC000107240969 402228424 /nfs/dbraw/zinc/22/84/24/402228424.db2.gz KCPLJNLMQDYDIL-UHFFFAOYSA-N 1 0 314.389 2.198 10 0 DEAERO CCc1nc(CNC(=O)NCCC2CC[NH+](C)CC2)cs1 ZINC000107846392 402242153 /nfs/dbraw/zinc/24/21/53/402242153.db2.gz QRKWXVAVZHCUDF-UHFFFAOYSA-N 1 0 310.467 2.237 10 0 DEAERO COCCCOc1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1 ZINC000155173004 402247414 /nfs/dbraw/zinc/24/74/14/402247414.db2.gz QYNKVCKEROCXPK-HUUCEWRRSA-N 1 0 320.433 2.267 10 0 DEAERO CC(C)[NH2+]C1CCN(Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000108371149 402252161 /nfs/dbraw/zinc/25/21/61/402252161.db2.gz PJXOEVRYNIBBHO-UHFFFAOYSA-N 1 0 313.449 2.445 10 0 DEAERO C[C@H](CC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C)NC(=O)C1CCCCC1 ZINC000155324874 402252742 /nfs/dbraw/zinc/25/27/42/402252742.db2.gz SYDISBTUBPEPIC-RBSFLKMASA-N 1 0 323.481 2.013 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cc(F)c(F)cc1F ZINC000125840321 402252924 /nfs/dbraw/zinc/25/29/24/402252924.db2.gz FARVKBWDQWJEBD-ZYHUDNBSSA-N 1 0 312.335 2.342 10 0 DEAERO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000155533768 402260161 /nfs/dbraw/zinc/26/01/61/402260161.db2.gz ICKYQHJPARZHPJ-OAHLLOKOSA-N 1 0 312.417 2.425 10 0 DEAERO CCOc1ccc(-c2cc3c(N4CC[C@@H]([NH3+])C4)nccn3n2)cc1 ZINC000070459319 402261525 /nfs/dbraw/zinc/26/15/25/402261525.db2.gz NPQQYWCCIGXSEN-CQSZACIVSA-N 1 0 323.400 2.332 10 0 DEAERO O=C(NCCC[N@@H+]1CC[C@H](Nc2ccccc2)C1)C(F)(F)F ZINC000154345187 402207751 /nfs/dbraw/zinc/20/77/51/402207751.db2.gz JTIRGRKCARYYEP-ZDUSSCGKSA-N 1 0 315.339 2.241 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC000105895271 402210590 /nfs/dbraw/zinc/21/05/90/402210590.db2.gz OGAYXIWTSFUJCP-XJKSGUPXSA-N 1 0 318.465 2.432 10 0 DEAERO CCn1cc(Br)cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000071140009 402270495 /nfs/dbraw/zinc/27/04/95/402270495.db2.gz FZBZVFIGZLVGRL-NSHDSACASA-N 1 0 314.227 2.047 10 0 DEAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H](C)C(C)C ZINC000176090686 402277580 /nfs/dbraw/zinc/27/75/80/402277580.db2.gz JMPZKZLZNCOZSZ-CQSZACIVSA-N 1 0 319.449 2.403 10 0 DEAERO CC(C)C[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000185101061 402324341 /nfs/dbraw/zinc/32/43/41/402324341.db2.gz ZLDAGQNGPKSINI-AWEZNQCLSA-N 1 0 304.438 2.454 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2NCc2cccnc2)C1 ZINC000176132632 402282185 /nfs/dbraw/zinc/28/21/85/402282185.db2.gz CMZFKXHXKQWJLQ-INIZCTEOSA-N 1 0 324.428 2.470 10 0 DEAERO C[NH+]1CCC(C(=O)NCc2nc3ccccc3n2C2CC2)CC1 ZINC000185103887 402324899 /nfs/dbraw/zinc/32/48/99/402324899.db2.gz LQSCGDYGBHWWEC-UHFFFAOYSA-N 1 0 312.417 2.329 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)Cc1ccc(O)cc1 ZINC000176263859 402295179 /nfs/dbraw/zinc/29/51/79/402295179.db2.gz NCAMHGFEFYSKTJ-HOCLYGCPSA-N 1 0 319.449 2.449 10 0 DEAERO CC(C)[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000176635115 402325129 /nfs/dbraw/zinc/32/51/29/402325129.db2.gz DGYKXCFPCAJKCS-AWEZNQCLSA-N 1 0 302.484 2.311 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000157674349 402297446 /nfs/dbraw/zinc/29/74/46/402297446.db2.gz SINQEDLZCSQTLH-UHFFFAOYSA-N 1 0 318.421 2.029 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000176339960 402301030 /nfs/dbraw/zinc/30/10/30/402301030.db2.gz QLPGPBKHFFICOE-AWEZNQCLSA-N 1 0 318.421 2.042 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCOCc1ccccc1 ZINC000176447913 402310202 /nfs/dbraw/zinc/31/02/02/402310202.db2.gz DQHLCXOCAZQBPA-DOTOQJQBSA-N 1 0 317.433 2.081 10 0 DEAERO Cc1ccccc1OCCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000176496918 402314706 /nfs/dbraw/zinc/31/47/06/402314706.db2.gz IXMAPDUSAGSJNC-JKSUJKDBSA-N 1 0 319.449 2.402 10 0 DEAERO CN1CCC([NH+]2CCC(NC(=O)NCC3(C)CCC3)CC2)CC1 ZINC000176648681 402326246 /nfs/dbraw/zinc/32/62/46/402326246.db2.gz CCAJIKICPJGHCF-UHFFFAOYSA-N 1 0 322.497 2.034 10 0 DEAERO NC(=O)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1 ZINC000225515428 402319438 /nfs/dbraw/zinc/31/94/38/402319438.db2.gz QKFQLWXDXNKEAE-IRXDYDNUSA-N 1 0 314.360 2.233 10 0 DEAERO CCC[C@H]([NH3+])C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000159288495 402320798 /nfs/dbraw/zinc/32/07/98/402320798.db2.gz BGDGZGXIFMPOGF-JKSUJKDBSA-N 1 0 308.397 2.225 10 0 DEAERO COC(=O)c1coc(C(=O)N2CC[N@H+](C)CC23CCCCC3)c1 ZINC000185056242 402321064 /nfs/dbraw/zinc/32/10/64/402321064.db2.gz DPCOVPGJUCATAM-UHFFFAOYSA-N 1 0 320.389 2.157 10 0 DEAERO COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[C@H]3C(C)C)CC2)c1 ZINC000185322357 402343440 /nfs/dbraw/zinc/34/34/40/402343440.db2.gz ZTQISFYUTFRJLN-LSDHHAIUSA-N 1 0 303.406 2.031 10 0 DEAERO COC(=O)c1cccc(OCC[N@H+](C)[C@@H](CO)CC(C)C)c1 ZINC000185331459 402344432 /nfs/dbraw/zinc/34/44/32/402344432.db2.gz SAKACQAZFLARDN-OAHLLOKOSA-N 1 0 309.406 2.191 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@@H](C)COC)CC[N@@H+]1Cc1ccccc1 ZINC000185341229 402345212 /nfs/dbraw/zinc/34/52/12/402345212.db2.gz KAFKZQNKGVPLCU-DOTOQJQBSA-N 1 0 304.434 2.392 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)C[C@H](O)COc1ccccc1Cl ZINC000185345438 402345905 /nfs/dbraw/zinc/34/59/05/402345905.db2.gz KDWUBFKEHHJWKF-KGLIPLIRSA-N 1 0 315.841 2.419 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C)cc1C ZINC000176894844 402347514 /nfs/dbraw/zinc/34/75/14/402347514.db2.gz BJICERXQZOWZDD-HNNXBMFYSA-N 1 0 317.433 2.185 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)/C=C/c3ccccc3)C[C@@H]21 ZINC000230130555 402347942 /nfs/dbraw/zinc/34/79/42/402347942.db2.gz QEHQIWCBKNEMOO-PCTGVNFZSA-N 1 0 306.431 2.046 10 0 DEAERO O[C@@H](Cn1cccn1)C[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000185567762 402362043 /nfs/dbraw/zinc/36/20/43/402362043.db2.gz KJGBRODKHYVVHC-OAHLLOKOSA-N 1 0 301.365 2.172 10 0 DEAERO C[C@H]1CN(C(=O)c2ccoc2Br)C[C@H]1[NH+](C)C ZINC000235674002 402364492 /nfs/dbraw/zinc/36/44/92/402364492.db2.gz LPEXNXDLZIFETB-WCBMZHEXSA-N 1 0 301.184 2.064 10 0 DEAERO CC(=O)N1CCc2cc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000236593270 402367223 /nfs/dbraw/zinc/36/72/23/402367223.db2.gz OGZQAQKKIXOMMS-KBPBESRZSA-N 1 0 301.390 2.052 10 0 DEAERO Cc1ccccc1C[NH+]1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000185661042 402368136 /nfs/dbraw/zinc/36/81/36/402368136.db2.gz DASKTBDSPYXPPQ-AWEZNQCLSA-N 1 0 302.340 2.036 10 0 DEAERO COCCCOc1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000177144364 402375059 /nfs/dbraw/zinc/37/50/59/402375059.db2.gz ALAMHMLJFJPPAM-HNNXBMFYSA-N 1 0 321.421 2.270 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1ccccc1F ZINC000177298096 402388781 /nfs/dbraw/zinc/38/87/81/402388781.db2.gz FVUBUWXIGTZMBH-OAHLLOKOSA-N 1 0 307.413 2.494 10 0 DEAERO C[C@H]([N@H+](C)CC(=O)NCCN1CCc2ccccc21)C1(C)CC1 ZINC000177231078 402383863 /nfs/dbraw/zinc/38/38/63/402383863.db2.gz DREZVMZXAWOBPK-HNNXBMFYSA-N 1 0 315.461 2.286 10 0 DEAERO CC(C)(C)c1cccc(OCCC[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000185137533 402327404 /nfs/dbraw/zinc/32/74/04/402327404.db2.gz USEFCQRGBFDKJW-CVEARBPZSA-N 1 0 307.434 2.181 10 0 DEAERO Cc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)cc1 ZINC000176673143 402327748 /nfs/dbraw/zinc/32/77/48/402327748.db2.gz LWFRFVFYDPUDAT-GOSISDBHSA-N 1 0 315.461 2.237 10 0 DEAERO CCN1CCC[C@@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000226615917 402328993 /nfs/dbraw/zinc/32/89/93/402328993.db2.gz JKKCZQYRUUXBHT-OAHLLOKOSA-N 1 0 311.470 2.460 10 0 DEAERO COC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000228641935 402339051 /nfs/dbraw/zinc/33/90/51/402339051.db2.gz QIQFAJBSYNSQKS-NOZJJQNGSA-N 1 0 316.195 2.024 10 0 DEAERO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)CC1 ZINC000186046125 402397969 /nfs/dbraw/zinc/39/79/69/402397969.db2.gz HGEYRVGCESWZTN-KDOFPFPSSA-N 1 0 320.433 2.351 10 0 DEAERO CN(C(=O)CCc1nc(C(C)(C)C)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237205663 402399476 /nfs/dbraw/zinc/39/94/76/402399476.db2.gz QABVEGGCVPDBPQ-FUNVUKJBSA-N 1 0 320.437 2.041 10 0 DEAERO CC[C@H]1CN(c2ccc(OC(F)F)cn2)CC[N@@H+]1CCOC ZINC000161938659 402404719 /nfs/dbraw/zinc/40/47/19/402404719.db2.gz XACPFUIJORFAMH-LBPRGKRZSA-N 1 0 315.364 2.230 10 0 DEAERO COc1cccc(N2CCC[C@@H](NC(=O)C3([NH3+])CCCC3)C2)c1 ZINC000237445956 402408494 /nfs/dbraw/zinc/40/84/94/402408494.db2.gz YGBUAVHGEKCNMV-CQSZACIVSA-N 1 0 317.433 2.052 10 0 DEAERO C[C@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccc2c(c1)OCO2 ZINC000237485499 402409624 /nfs/dbraw/zinc/40/96/24/402409624.db2.gz LMRYCTBJIAMSMJ-SGTLLEGYSA-N 1 0 312.369 2.467 10 0 DEAERO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237481380 402409662 /nfs/dbraw/zinc/40/96/62/402409662.db2.gz NAPUVZBYQBQZDI-NEPJUHHUSA-N 1 0 312.360 2.238 10 0 DEAERO COc1ccc(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000237503149 402410039 /nfs/dbraw/zinc/41/00/39/402410039.db2.gz XXICXJFNCFVXBH-PBWFPOADSA-N 1 0 306.381 2.118 10 0 DEAERO CC1(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)COC1 ZINC000177509901 402410808 /nfs/dbraw/zinc/41/08/08/402410808.db2.gz YMHRWJHGPMGORN-UHFFFAOYSA-N 1 0 309.454 2.119 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c2ccccc21 ZINC000186250973 402414982 /nfs/dbraw/zinc/41/49/82/402414982.db2.gz YBTGMCUUEOMSST-DMRZNYOFSA-N 1 0 321.442 2.452 10 0 DEAERO CC(=O)Nc1nc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cs1 ZINC000186299221 402418896 /nfs/dbraw/zinc/41/88/96/402418896.db2.gz WWQCSHCBVLDSGI-NSHDSACASA-N 1 0 324.450 2.096 10 0 DEAERO Cc1ccccc1N1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000186352786 402423761 /nfs/dbraw/zinc/42/37/61/402423761.db2.gz HLSFKWWBWBROBG-UHFFFAOYSA-N 1 0 324.428 2.418 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)C1 ZINC000237888005 402424707 /nfs/dbraw/zinc/42/47/07/402424707.db2.gz NFTDBXUWQGFALN-RCCFBDPRSA-N 1 0 316.445 2.364 10 0 DEAERO CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1nccs1 ZINC000162645438 402427053 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CCC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000161540426 402391160 /nfs/dbraw/zinc/39/11/60/402391160.db2.gz QZPUQQBJZLHLGS-ZWKOTPCHSA-N 1 0 317.477 2.498 10 0 DEAERO CCOC(=O)CCC[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000178045535 402455643 /nfs/dbraw/zinc/45/56/43/402455643.db2.gz AZSXKDNLHJDUNO-CYBMUJFWSA-N 1 0 302.378 2.261 10 0 DEAERO CCN(CCCNC(=O)c1c[nH]c(=O)cc1C)c1ccccc1 ZINC000164587962 402465159 /nfs/dbraw/zinc/46/51/59/402465159.db2.gz DXUYOUJTERPDFJ-UHFFFAOYSA-N 1 0 313.401 2.330 10 0 DEAERO Cc1ccc(N2CC[C@H]([N@H+](C)C[C@H]3CCCOC3)C2=O)cc1 ZINC000245499092 402466136 /nfs/dbraw/zinc/46/61/36/402466136.db2.gz XLJUOKUFFWUIRW-WBVHZDCISA-N 1 0 302.418 2.459 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)c(Br)c1)C1C[NH2+]C1 ZINC000164774446 402468554 /nfs/dbraw/zinc/46/85/54/402468554.db2.gz HOALQYQUMWKWBV-SSDOTTSWSA-N 1 0 301.159 2.382 10 0 DEAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCCn3ccnc3C)[C@@H]2C1 ZINC000245570518 402471512 /nfs/dbraw/zinc/47/15/12/402471512.db2.gz 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311.470 2.221 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245783493 402487412 /nfs/dbraw/zinc/48/74/12/402487412.db2.gz HWJXBCNMHNFZSD-BZUAXINKSA-N 1 0 321.465 2.119 10 0 DEAERO CC(C)CCn1cccc1CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245786108 402488537 /nfs/dbraw/zinc/48/85/37/402488537.db2.gz VFUDTDXKUXOYHA-IRXDYDNUSA-N 1 0 307.482 2.421 10 0 DEAERO COc1ccc(O)cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000187273996 402491115 /nfs/dbraw/zinc/49/11/15/402491115.db2.gz ZUCMETBEMGJFNK-UHFFFAOYSA-N 1 0 306.406 2.253 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000168472210 402496736 /nfs/dbraw/zinc/49/67/36/402496736.db2.gz RJRPOMOWASRLQN-CQSZACIVSA-N 1 0 307.312 2.304 10 0 DEAERO C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000168753643 402498659 /nfs/dbraw/zinc/49/86/59/402498659.db2.gz JYBAANUYJYEURA-OAHLLOKOSA-N 1 0 311.429 2.396 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245932047 402499159 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C[NH+](C)[C@H]1CCN(C(=O)Nc2nnc(-c3ccsc3)s2)C1 ZINC000171080663 402555824 /nfs/dbraw/zinc/55/58/24/402555824.db2.gz KRXJBXTXBXFZTC-JTQLQIEISA-N 1 0 323.447 2.434 10 0 DEAERO COCCCOc1ccccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171080696 402555953 /nfs/dbraw/zinc/55/59/53/402555953.db2.gz QWNRROJXKLFTFV-CQSZACIVSA-N 1 0 321.421 2.270 10 0 DEAERO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247167481 402558878 /nfs/dbraw/zinc/55/88/78/402558878.db2.gz VBFRDZPSHDKRMI-HZMVEIRTSA-N 1 0 323.481 2.316 10 0 DEAERO CSCC[C@H](C)[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000247208142 402559955 /nfs/dbraw/zinc/55/99/55/402559955.db2.gz VJNAMUKEIJLYDC-ZNMIVQPWSA-N 1 0 314.495 2.230 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1coc(Br)c1 ZINC000247234091 402560717 /nfs/dbraw/zinc/56/07/17/402560717.db2.gz MTVMKWNLLXGJLW-ONGXEEELSA-N 1 0 313.195 2.351 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCOCc1ccccc1 ZINC000247221835 402560804 /nfs/dbraw/zinc/56/08/04/402560804.db2.gz MJPVXRNUGSVZCY-RDJZCZTQSA-N 1 0 302.418 2.288 10 0 DEAERO COc1ccc(O)c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000171138788 402561028 /nfs/dbraw/zinc/56/10/28/402561028.db2.gz YLBFUWYCTVREHQ-UHFFFAOYSA-N 1 0 318.417 2.349 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1ccc(Cl)cc1 ZINC000247313465 402563465 /nfs/dbraw/zinc/56/34/65/402563465.db2.gz OEAFYZUUFWGOKU-CJNGLKHVSA-N 1 0 321.852 2.125 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3c2CCCC3)[C@@H](C)C1 ZINC000247391164 402565772 /nfs/dbraw/zinc/56/57/72/402565772.db2.gz MAUNJBYBIJIEMC-SWLSCSKDSA-N 1 0 304.438 2.091 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSCc1ccncc1 ZINC000247466926 402568195 /nfs/dbraw/zinc/56/81/95/402568195.db2.gz RHLYGUPPSKGZHG-ZFWWWQNUSA-N 1 0 305.447 2.010 10 0 DEAERO CCCn1nccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000247490712 402569009 /nfs/dbraw/zinc/56/90/09/402569009.db2.gz KXHWXNMLPASWNC-ZIAGYGMSSA-N 1 0 305.426 2.384 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000262637674 292235331 /nfs/dbraw/zinc/23/53/31/292235331.db2.gz QMDUDPHLQXRYFV-OIISXLGYSA-N 1 0 302.418 2.283 10 0 DEAERO CCOc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178635990 402520430 /nfs/dbraw/zinc/52/04/30/402520430.db2.gz HKPAFACEAHXCML-GDBMZVCRSA-N 1 0 317.433 2.192 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)s1 ZINC000246251549 402520723 /nfs/dbraw/zinc/52/07/23/402520723.db2.gz SPUVLASLFMNOOO-ZWNOBZJWSA-N 1 0 316.492 2.326 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC000188619038 402521323 /nfs/dbraw/zinc/52/13/23/402521323.db2.gz WTLFEOLSCXUVCQ-ZIAGYGMSSA-N 1 0 313.486 2.020 10 0 DEAERO CCC[C@@H](C(=O)NCC(=O)Nc1ccc(Cl)cc1)[NH+](C)C ZINC000178651949 402521764 /nfs/dbraw/zinc/52/17/64/402521764.db2.gz DHPITJPLYKPFQL-ZDUSSCGKSA-N 1 0 311.813 2.125 10 0 DEAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnn2c1CCCC2 ZINC000246325010 402525221 /nfs/dbraw/zinc/52/52/21/402525221.db2.gz SASZADHGQWRDMT-ZNMIVQPWSA-N 1 0 318.465 2.316 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CC[N@@H+]1C ZINC000246370284 402527476 /nfs/dbraw/zinc/52/74/76/402527476.db2.gz LLUOPPMHDVXFGV-QCODTGAPSA-N 1 0 309.454 2.068 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000246402550 402529519 /nfs/dbraw/zinc/52/95/19/402529519.db2.gz RQPDGBVJNMGUJL-NEPJUHHUSA-N 1 0 323.441 2.212 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)/C=C/c2nc3ccccc3s2)C1 ZINC000170861242 402534495 /nfs/dbraw/zinc/53/44/95/402534495.db2.gz CZUXPKRRNQLOOU-GUOLPTJISA-N 1 0 301.415 2.472 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180800974 402626480 /nfs/dbraw/zinc/62/64/80/402626480.db2.gz NSYBFKAADQTAAO-QGZVFWFLSA-N 1 0 313.380 2.443 10 0 DEAERO CC[C@H]1CN(Cc2cccc(COC)c2)CC[N@@H+]1CCOC ZINC000179213005 402581605 /nfs/dbraw/zinc/58/16/05/402581605.db2.gz DBVKGQMWGCRFPV-SFHVURJKSA-N 1 0 306.450 2.376 10 0 DEAERO CCOC(=O)[C@@H](c1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248358073 402587426 /nfs/dbraw/zinc/58/74/26/402587426.db2.gz QHRZDQKNJVLVBK-DLBZAZTESA-N 1 0 302.418 2.461 10 0 DEAERO Cn1c(CN2CC[N@@H+]3CCCC[C@H]3C2)nnc1-c1ccccc1 ZINC000248367487 402587766 /nfs/dbraw/zinc/58/77/66/402587766.db2.gz UCQCSCOCPPHMGR-INIZCTEOSA-N 1 0 311.433 2.152 10 0 DEAERO O=C(Nc1ccc2c(c1)CCO2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171517427 402590448 /nfs/dbraw/zinc/59/04/48/402590448.db2.gz ZAEOHCDNCJMJDG-HNNXBMFYSA-N 1 0 301.390 2.324 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(C(=O)OC)c(C)c2)C1 ZINC000171520853 402591069 /nfs/dbraw/zinc/59/10/69/402591069.db2.gz WWAIODSQACUGDI-AWEZNQCLSA-N 1 0 319.405 2.387 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000248459654 402591931 /nfs/dbraw/zinc/59/19/31/402591931.db2.gz RPDNGKPNXLRLDY-KLHDSHLOSA-N 1 0 311.470 2.052 10 0 DEAERO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1CO ZINC000248491031 402593327 /nfs/dbraw/zinc/59/33/27/402593327.db2.gz NTFODRWELKQTHD-DZKIICNBSA-N 1 0 321.417 2.440 10 0 DEAERO CCCc1cc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)n(C)n1 ZINC000179568830 402595302 /nfs/dbraw/zinc/59/53/02/402595302.db2.gz PVZNOVPWEJHPIL-INIZCTEOSA-N 1 0 314.433 2.484 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000179726109 402598902 /nfs/dbraw/zinc/59/89/02/402598902.db2.gz QMUVXHGCBBXCON-GFCCVEGCSA-N 1 0 304.438 2.217 10 0 DEAERO C[C@H](NC(=O)NCC1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000171603668 402600331 /nfs/dbraw/zinc/60/03/31/402600331.db2.gz GOHWYRXCSRLCPR-LBPRGKRZSA-N 1 0 319.405 2.117 10 0 DEAERO O=C([C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1)N1CCOCC1 ZINC000179890474 402602885 /nfs/dbraw/zinc/60/28/85/402602885.db2.gz LQOURFWTKOGYAQ-CQSZACIVSA-N 1 0 324.371 2.036 10 0 DEAERO C[C@H](C(=O)Nc1c(F)cccc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171639047 402604506 /nfs/dbraw/zinc/60/45/06/402604506.db2.gz CRDLERLYOSLBCJ-VXGBXAGGSA-N 1 0 309.360 2.072 10 0 DEAERO Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171640718 402605316 /nfs/dbraw/zinc/60/53/16/402605316.db2.gz FGNWZSDOQKKGPE-UKRRQHHQSA-N 1 0 305.397 2.241 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc3c(cc2C)OCO3)C1 ZINC000180088279 402606859 /nfs/dbraw/zinc/60/68/59/402606859.db2.gz AYYHRDAEZBYMKK-LBPRGKRZSA-N 1 0 305.378 2.330 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)C2CCC(C(=O)OC)CC2)C1 ZINC000180277163 402612268 /nfs/dbraw/zinc/61/22/68/402612268.db2.gz HPXURRSCUMGBAN-QQFBHYJXSA-N 1 0 324.465 2.156 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2CC)C12CCOCC2 ZINC000248907273 402613951 /nfs/dbraw/zinc/61/39/51/402613951.db2.gz BJUSWLLHUFAGHO-BRWVUGGUSA-N 1 0 310.482 2.425 10 0 DEAERO CO[C@@H]1CC[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000249028124 402618071 /nfs/dbraw/zinc/61/80/71/402618071.db2.gz LGXHKOCNRJJQKB-GVDBMIGSSA-N 1 0 319.449 2.026 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000171747480 402618113 /nfs/dbraw/zinc/61/81/13/402618113.db2.gz AJQYLOREMCHBLE-XXXXFFMBSA-N 1 0 305.466 2.452 10 0 DEAERO CC(C)N(C)c1ccc(C[NH2+]CCCN2CCCC2=O)cn1 ZINC000190695540 402618807 /nfs/dbraw/zinc/61/88/07/402618807.db2.gz MGHMCOGCVVATFC-UHFFFAOYSA-N 1 0 304.438 2.028 10 0 DEAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCC2CCC2)C1 ZINC000190696458 402618928 /nfs/dbraw/zinc/61/89/28/402618928.db2.gz SOWJMQODHLHUFU-QGZVFWFLSA-N 1 0 316.449 2.345 10 0 DEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1nc2c(s1)CCCC2 ZINC000180585192 402620650 /nfs/dbraw/zinc/62/06/50/402620650.db2.gz ZBRXINKZFLCWPL-QWRGUYRKSA-N 1 0 303.435 2.279 10 0 DEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000249138385 402621944 /nfs/dbraw/zinc/62/19/44/402621944.db2.gz VDHWLQGDVLTKQC-RHSMWYFYSA-N 1 0 306.454 2.345 10 0 DEAERO Cc1nnnn1-c1cccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000249306549 402625431 /nfs/dbraw/zinc/62/54/31/402625431.db2.gz JLAAZDIHAMOMHT-XHBSWPGZSA-N 1 0 300.410 2.111 10 0 DEAERO CC(C)n1ccc(CN2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000172013744 402637265 /nfs/dbraw/zinc/63/72/65/402637265.db2.gz AQNWIARQSFNREV-UHFFFAOYSA-N 1 0 306.454 2.008 10 0 DEAERO CCCOc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000181289022 402639503 /nfs/dbraw/zinc/63/95/03/402639503.db2.gz CUJLEXKJOZEOLP-MRXNPFEDSA-N 1 0 321.421 2.270 10 0 DEAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000249790753 402641983 /nfs/dbraw/zinc/64/19/83/402641983.db2.gz USSGQBCSYPENDY-ZVDSWSACSA-N 1 0 311.470 2.172 10 0 DEAERO CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000181356977 402642894 /nfs/dbraw/zinc/64/28/94/402642894.db2.gz FXOVTHBTZJNLEG-LBPRGKRZSA-N 1 0 309.385 2.411 10 0 DEAERO COC(=O)CC(C)(C)CC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000181408129 402644363 /nfs/dbraw/zinc/64/43/63/402644363.db2.gz RCNMBTIORMRPOB-OAHLLOKOSA-N 1 0 324.465 2.443 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)Oc2ccccc2)C1 ZINC000172224081 402645652 /nfs/dbraw/zinc/64/56/52/402645652.db2.gz IINSANSEVXQTOC-CABCVRRESA-N 1 0 305.422 2.237 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCN2CCCC2)C1 ZINC000172472328 402658011 /nfs/dbraw/zinc/65/80/11/402658011.db2.gz JFYROBSVSKRKBN-HNNXBMFYSA-N 1 0 311.470 2.319 10 0 DEAERO CCc1ccc(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000172472626 402658037 /nfs/dbraw/zinc/65/80/37/402658037.db2.gz UQNHDGAKKYLYEW-QGZVFWFLSA-N 1 0 301.434 2.281 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000191299393 402658521 /nfs/dbraw/zinc/65/85/21/402658521.db2.gz CMBXUMWIVSOPDH-MAZHCROVSA-N 1 0 308.397 2.360 10 0 DEAERO CC[C@H]1CCCCCN1C(=O)NCCN1CCOCC1(C)C ZINC000172486881 402658622 /nfs/dbraw/zinc/65/86/22/402658622.db2.gz YRYPKISQBAQOMQ-HNNXBMFYSA-N 1 0 311.470 2.461 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(C3CCC3)n2C)[C@H](C)C1 ZINC000181468540 402646629 /nfs/dbraw/zinc/64/66/29/402646629.db2.gz YPXOSMZGTJLPGQ-HIFRSBDPSA-N 1 0 305.470 2.245 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000251812803 402649821 /nfs/dbraw/zinc/64/98/21/402649821.db2.gz OSMISCHVEGNKOU-WFASDCNBSA-N 1 0 302.374 2.289 10 0 DEAERO C[C@@H](C(=O)NCc1ccccc1F)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346888 402651353 /nfs/dbraw/zinc/65/13/53/402651353.db2.gz MIZRYNHOAGIPGC-AWEZNQCLSA-N 1 0 319.424 2.001 10 0 DEAERO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347465 402651853 /nfs/dbraw/zinc/65/18/53/402651853.db2.gz JNFIYAHWFQAYRF-GFCCVEGCSA-N 1 0 322.840 2.232 10 0 DEAERO CC(C)(C)OC(=O)CCCC[NH+]1CCC(n2cncn2)CC1 ZINC000181650825 402653319 /nfs/dbraw/zinc/65/33/19/402653319.db2.gz ADBFMBULUNSIHO-UHFFFAOYSA-N 1 0 308.426 2.427 10 0 DEAERO CC(C)[C@H](C)CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000172389124 402653970 /nfs/dbraw/zinc/65/39/70/402653970.db2.gz JVORCZGPQFRTFM-CABCVRRESA-N 1 0 311.470 2.079 10 0 DEAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000191251435 402654812 /nfs/dbraw/zinc/65/48/12/402654812.db2.gz OOSSHFQJVIFLJJ-GJZGRUSLSA-N 1 0 316.445 2.411 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)C1 ZINC000173763709 402711087 /nfs/dbraw/zinc/71/10/87/402711087.db2.gz GJXPHWNGNQCTGR-AWEZNQCLSA-N 1 0 316.405 2.177 10 0 DEAERO CCC[C@H](C)CS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000173830379 402714475 /nfs/dbraw/zinc/71/44/75/402714475.db2.gz CIJCTMGIJARYBS-KKUMJFAQSA-N 1 0 302.484 2.311 10 0 DEAERO CN1C(=O)C[C@H](NCc2ccon2)[C@H]1c1ccc(Cl)cc1 ZINC000192150488 402714446 /nfs/dbraw/zinc/71/44/46/402714446.db2.gz VYIBLJMNGLMWGD-DZGCQCFKSA-N 1 0 305.765 2.390 10 0 DEAERO CCc1cnc(CCNC(=O)NC[C@@H](C)[NH+](CC)CC)s1 ZINC000173828477 402714867 /nfs/dbraw/zinc/71/48/67/402714867.db2.gz BIKFYTAGUQATFP-GFCCVEGCSA-N 1 0 312.483 2.278 10 0 DEAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000173884150 402716785 /nfs/dbraw/zinc/71/67/85/402716785.db2.gz IVRKDWWRAJKVIN-FZMZJTMJSA-N 1 0 316.854 2.347 10 0 DEAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000173886088 402717147 /nfs/dbraw/zinc/71/71/47/402717147.db2.gz GXUQRUFYWJBJFY-GUYCJALGSA-N 1 0 322.474 2.182 10 0 DEAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000172515902 402660563 /nfs/dbraw/zinc/66/05/63/402660563.db2.gz DISBHWLDCNMVTG-CVEARBPZSA-N 1 0 317.433 2.492 10 0 DEAERO C[C@@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)N1CCOCC1 ZINC000181929799 402661020 /nfs/dbraw/zinc/66/10/20/402661020.db2.gz HHRSXRMVUMYOTK-XJKSGUPXSA-N 1 0 308.397 2.350 10 0 DEAERO CCOCC[N@@H+]1CCN(CCc2scnc2C)C[C@H]1CC ZINC000172535596 402661524 /nfs/dbraw/zinc/66/15/24/402661524.db2.gz WXSYNYUPVUANTP-OAHLLOKOSA-N 1 0 311.495 2.427 10 0 DEAERO CSC1(C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC1 ZINC000253429925 402666560 /nfs/dbraw/zinc/66/65/60/402666560.db2.gz WFPPHQAXDDOJEY-GJZGRUSLSA-N 1 0 319.474 2.428 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)c1c(C)noc1C ZINC000253549807 402668760 /nfs/dbraw/zinc/66/87/60/402668760.db2.gz WKXYVCMOISCDLR-KCPJHIHWSA-N 1 0 305.422 2.480 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCOc1ccccc1C(=O)OC ZINC000182209153 402672840 /nfs/dbraw/zinc/67/28/40/402672840.db2.gz WYHDRUYWDSHRRI-HNNXBMFYSA-N 1 0 320.433 2.268 10 0 DEAERO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C3=CCCCO3)CC2)C[C@H](C)O1 ZINC000172747562 402673205 /nfs/dbraw/zinc/67/32/05/402673205.db2.gz NIJKIFCHXBOMFW-GASCZTMLSA-N 1 0 322.449 2.029 10 0 DEAERO CCc1cccc(OCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173929750 402719387 /nfs/dbraw/zinc/71/93/87/402719387.db2.gz IAUNUZZLRBVRLN-QGZVFWFLSA-N 1 0 304.434 2.034 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(c2ccc3cc(OC)ccc3n2)CC1 ZINC000172784611 402675491 /nfs/dbraw/zinc/67/54/91/402675491.db2.gz HLBIUBDNQDRIHV-HNNXBMFYSA-N 1 0 315.417 2.136 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ncnn3C1)CCS2 ZINC000191529745 402676414 /nfs/dbraw/zinc/67/64/14/402676414.db2.gz SXZXYVGGKAQBBR-SMDDNHRTSA-N 1 0 316.430 2.428 10 0 DEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c(F)c1 ZINC000261933509 402719589 /nfs/dbraw/zinc/71/95/89/402719589.db2.gz LZVLFZCQKRHUGS-USXIJHARSA-N 1 0 308.397 2.081 10 0 DEAERO C[C@H]1C[C@@H](N(C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@@H+]1C ZINC000182396947 402686534 /nfs/dbraw/zinc/68/65/34/402686534.db2.gz XLXWPRMSTACNLM-JSGCOSHPSA-N 1 0 316.401 2.413 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)c2ccc(F)cn2)ccc1F ZINC000182438952 402690172 /nfs/dbraw/zinc/69/01/72/402690172.db2.gz DHWSFRVXENFRJY-UHFFFAOYSA-N 1 0 305.328 2.351 10 0 DEAERO Cc1ccsc1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000173275875 402690922 /nfs/dbraw/zinc/69/09/22/402690922.db2.gz IDLKJALTWMANSC-OAHLLOKOSA-N 1 0 321.490 2.299 10 0 DEAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)CC3CCCC3)C2)CC1 ZINC000173295071 402691139 /nfs/dbraw/zinc/69/11/39/402691139.db2.gz MUDIIPSTJGJPHD-QGZVFWFLSA-N 1 0 307.482 2.195 10 0 DEAERO O=C(NCc1ccc(F)cc1)C1CCN(Cc2cocn2)CC1 ZINC000191927882 402698988 /nfs/dbraw/zinc/69/89/88/402698988.db2.gz CWIKRENZJTWCSE-UHFFFAOYSA-N 1 0 317.364 2.342 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000173490801 402699970 /nfs/dbraw/zinc/69/99/70/402699970.db2.gz ADRYIRLHYNDJAT-BBRMVZONSA-N 1 0 320.481 2.349 10 0 DEAERO Cc1csc([C@H]2CN(C[C@@H]3CC4(CCC4)C(=O)O3)CCO2)n1 ZINC000191977109 402702213 /nfs/dbraw/zinc/70/22/13/402702213.db2.gz VSMPAKBVMKKDGW-QWHCGFSZSA-N 1 0 322.430 2.311 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(CCCOc2cc(C)cc(C)c2)CC1 ZINC000174089291 402726390 /nfs/dbraw/zinc/72/63/90/402726390.db2.gz OTFVFYATIUFOQZ-SFHVURJKSA-N 1 0 320.477 2.461 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000262575587 402727354 /nfs/dbraw/zinc/72/73/54/402727354.db2.gz OFZWTACXENUMBS-XMZIXOGTSA-N 1 0 306.406 2.008 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000174129038 402728192 /nfs/dbraw/zinc/72/81/92/402728192.db2.gz UBGMHNIKVARSIU-ZIAGYGMSSA-N 1 0 322.478 2.055 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000262633728 402728622 /nfs/dbraw/zinc/72/86/22/402728622.db2.gz ODUBPDLRTXGDTB-NUJGCVRESA-N 1 0 302.418 2.473 10 0 DEAERO COC(=O)C1CCC([NH2+][C@H](C)Cc2c(C)nn(C)c2C)CC1 ZINC000192443586 402729257 /nfs/dbraw/zinc/72/92/57/402729257.db2.gz YTIHPGQCGFQOPQ-VCANKDNSSA-N 1 0 307.438 2.289 10 0 DEAERO CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000262775013 402731106 /nfs/dbraw/zinc/73/11/06/402731106.db2.gz NFBYQTWTXFCZMV-HEHGZKQESA-N 1 0 310.463 2.476 10 0 DEAERO CCOC(=O)CCC[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000174234798 402732761 /nfs/dbraw/zinc/73/27/61/402732761.db2.gz JAFODGNVNGEASM-ZDUSSCGKSA-N 1 0 314.426 2.319 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)N(C)C1CC1 ZINC000192555305 402736924 /nfs/dbraw/zinc/73/69/24/402736924.db2.gz UHTOIDNNWCNQHH-NSHDSACASA-N 1 0 305.447 2.172 10 0 DEAERO Cc1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c(C)o1 ZINC000183079545 402736932 /nfs/dbraw/zinc/73/69/32/402736932.db2.gz HBCSUNJNXYOXMN-LLVKDONJSA-N 1 0 300.424 2.049 10 0 DEAERO C[C@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)[C@@H]1CCCO1 ZINC000183130432 402741663 /nfs/dbraw/zinc/74/16/63/402741663.db2.gz IDQIBHXGGSPKMB-JQWIXIFHSA-N 1 0 305.403 2.392 10 0 DEAERO C[C@H]1CC(CC[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)C[C@H](C)C1 ZINC000192664713 402743419 /nfs/dbraw/zinc/74/34/19/402743419.db2.gz PUFQIBHDKAUZBS-PBFPGSCMSA-N 1 0 307.438 2.123 10 0 DEAERO CCCOc1cccc(CNC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000183222220 402748544 /nfs/dbraw/zinc/74/85/44/402748544.db2.gz GKJFHSFWWKIBND-WMLDXEAASA-N 1 0 320.433 2.249 10 0 DEAERO COCCC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000183236374 402749269 /nfs/dbraw/zinc/74/92/69/402749269.db2.gz LMNDBFZGLJTYCN-SJLPKXTDSA-N 1 0 318.417 2.126 10 0 DEAERO Cc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c2ccccc2n1 ZINC000263245759 402749522 /nfs/dbraw/zinc/74/95/22/402749522.db2.gz PGKUUJDHUQEQAD-HNNXBMFYSA-N 1 0 309.373 2.169 10 0 DEAERO COc1cccc([C@@H]2[C@H](NC(=O)CSC)CC[N@@H+]2C2CC2)c1 ZINC000183250640 402750438 /nfs/dbraw/zinc/75/04/38/402750438.db2.gz XEEGNHVPJHJBKB-NVXWUHKLSA-N 1 0 320.458 2.452 10 0 DEAERO CCN(CC)C(=O)C1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263265671 402752258 /nfs/dbraw/zinc/75/22/58/402752258.db2.gz RNQVXUZWKZSSLJ-YJBOKZPZSA-N 1 0 323.481 2.001 10 0 DEAERO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CC(F)(F)CN1 ZINC000263272260 402752622 /nfs/dbraw/zinc/75/26/22/402752622.db2.gz SKCXGJRQDFMREV-HNNXBMFYSA-N 1 0 323.387 2.261 10 0 DEAERO C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183614457 402781602 /nfs/dbraw/zinc/78/16/02/402781602.db2.gz IZSSNEJDFDKMDS-SMDDNHRTSA-N 1 0 319.430 2.451 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)N2CCO[C@H](c3nccs3)C2)CC1 ZINC000174768329 402756320 /nfs/dbraw/zinc/75/63/20/402756320.db2.gz QZPHOWNYKQRUSW-AWEZNQCLSA-N 1 0 323.462 2.163 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(C)C)CC1 ZINC000174824246 402759143 /nfs/dbraw/zinc/75/91/43/402759143.db2.gz SPILPQAPJWCLMC-MRXNPFEDSA-N 1 0 311.470 2.175 10 0 DEAERO Cc1ccc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000174843629 402759894 /nfs/dbraw/zinc/75/98/94/402759894.db2.gz JDDIWWCUWYQTFC-GDBMZVCRSA-N 1 0 304.438 2.057 10 0 DEAERO Cc1ccc(N2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000194042168 402781964 /nfs/dbraw/zinc/78/19/64/402781964.db2.gz VGKRZJHJXIBLMC-GJZGRUSLSA-N 1 0 317.433 2.242 10 0 DEAERO C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Oc1ccccc1 ZINC000174916070 402762700 /nfs/dbraw/zinc/76/27/00/402762700.db2.gz AEKKXJYEWSFKIX-HOTGVXAUSA-N 1 0 315.417 2.110 10 0 DEAERO C[C@@H](C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC000174955337 402766252 /nfs/dbraw/zinc/76/62/52/402766252.db2.gz YDYPXPKZLNYWSF-LSDHHAIUSA-N 1 0 324.465 2.441 10 0 DEAERO CC(C)c1noc2ncc(C(=O)NCC[NH+]3CCCC3)cc21 ZINC000193152272 402767279 /nfs/dbraw/zinc/76/72/79/402767279.db2.gz UMCOQLDOGDTQHB-UHFFFAOYSA-N 1 0 302.378 2.172 10 0 DEAERO OCC[C@@]1(C[NH2+]Cc2cnc(-c3ccco3)s2)CCOC1 ZINC000193152388 402767608 /nfs/dbraw/zinc/76/76/08/402767608.db2.gz GIBKRLDXQKUIAE-HNNXBMFYSA-N 1 0 308.403 2.282 10 0 DEAERO CO[C@H](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000183619986 402782326 /nfs/dbraw/zinc/78/23/26/402782326.db2.gz YBHZEVPRIUQLPT-INMHGKMJSA-N 1 0 319.449 2.223 10 0 DEAERO Cc1cc(C)cc([C@H]2CC[N@H+](CCC(=O)N3CCOCC3)C2)c1 ZINC000183479203 402770822 /nfs/dbraw/zinc/77/08/22/402770822.db2.gz BEVUALHBMHRJAA-KRWDZBQOSA-N 1 0 316.445 2.342 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)cc(OC)c1 ZINC000175015597 402771296 /nfs/dbraw/zinc/77/12/96/402771296.db2.gz BEJYVODQMRWTOL-LSDHHAIUSA-N 1 0 318.417 2.403 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1nc(C)c(Cl)c1C ZINC000175035556 402772953 /nfs/dbraw/zinc/77/29/53/402772953.db2.gz SRDPHGFWPNJATB-ZIAGYGMSSA-N 1 0 324.856 2.239 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cnccc2N(C)C)C1 ZINC000183516444 402773483 /nfs/dbraw/zinc/77/34/83/402773483.db2.gz HEUYPYPLHOMFSQ-GASCZTMLSA-N 1 0 318.465 2.245 10 0 DEAERO CCOc1ncccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175071794 402776474 /nfs/dbraw/zinc/77/64/74/402776474.db2.gz BSEHYMNDTZAWBN-OLZOCXBDSA-N 1 0 306.410 2.427 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCOc2cccc(C)c2)C1 ZINC000194311454 402791615 /nfs/dbraw/zinc/79/16/15/402791615.db2.gz XYLSHMNVNDZUQK-HNNXBMFYSA-N 1 0 305.422 2.157 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2-n2cccn2)C1 ZINC000194341327 402792595 /nfs/dbraw/zinc/79/25/95/402792595.db2.gz LPDYDDZYBPIRTM-AWEZNQCLSA-N 1 0 313.405 2.478 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000194340440 402792705 /nfs/dbraw/zinc/79/27/05/402792705.db2.gz AJJBSQBUTKUQSS-CQSZACIVSA-N 1 0 305.378 2.079 10 0 DEAERO Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)c(C)o1 ZINC000183783925 402797636 /nfs/dbraw/zinc/79/76/36/402797636.db2.gz DLPQJSRSAMLZSK-RYUDHWBXSA-N 1 0 309.410 2.417 10 0 DEAERO Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)c(C)o1 ZINC000183783952 402797747 /nfs/dbraw/zinc/79/77/47/402797747.db2.gz DLPQJSRSAMLZSK-NWDGAFQWSA-N 1 0 309.410 2.417 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1c(F)cccc1F ZINC000175399549 402803314 /nfs/dbraw/zinc/80/33/14/402803314.db2.gz BDJQJIZJOOOABI-NSHDSACASA-N 1 0 318.389 2.070 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCCc1ccc(Cl)nc1 ZINC000183911984 402804798 /nfs/dbraw/zinc/80/47/98/402804798.db2.gz DQGXTLLXMYCKLF-UHFFFAOYSA-N 1 0 304.781 2.169 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCc1nc(C2CC2)cs1 ZINC000183956985 402808162 /nfs/dbraw/zinc/80/81/62/402808162.db2.gz HZYOAJKOTBKTSE-UHFFFAOYSA-N 1 0 302.403 2.412 10 0 DEAERO Cc1nccn1CCCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175466356 402808966 /nfs/dbraw/zinc/80/89/66/402808966.db2.gz FWBNNTQIMUKUAH-GDBMZVCRSA-N 1 0 321.469 2.096 10 0 DEAERO C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194673031 402809416 /nfs/dbraw/zinc/80/94/16/402809416.db2.gz BSQLYAIALRJXQO-CQSZACIVSA-N 1 0 317.433 2.203 10 0 DEAERO C[C@@H](NC(=O)CN1CCC[N@@H+](C2CC2)CC1)c1cccs1 ZINC000195341087 402843035 /nfs/dbraw/zinc/84/30/35/402843035.db2.gz CCDZOQKJLMHSAH-CYBMUJFWSA-N 1 0 307.463 2.095 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C1CC1)C1CCCC1 ZINC000175492564 402811479 /nfs/dbraw/zinc/81/14/79/402811479.db2.gz JVKZVIRZFGIHLK-INIZCTEOSA-N 1 0 309.454 2.214 10 0 DEAERO CC(C)[C@@H](O)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194740188 402813877 /nfs/dbraw/zinc/81/38/77/402813877.db2.gz YLGMRYGUIQJMHY-IRXDYDNUSA-N 1 0 304.434 2.032 10 0 DEAERO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)Oc1cccc(F)c1 ZINC000175598030 402820756 /nfs/dbraw/zinc/82/07/56/402820756.db2.gz UBZRSDWFUNLHLY-GJZGRUSLSA-N 1 0 323.412 2.377 10 0 DEAERO CCc1noc2ncc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc12 ZINC000194920202 402822827 /nfs/dbraw/zinc/82/28/27/402822827.db2.gz RSYQQRNXFWMNDO-CYBMUJFWSA-N 1 0 318.421 2.491 10 0 DEAERO CCN(CC)C(=O)[C@H]1CCCN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000184168749 402823861 /nfs/dbraw/zinc/82/38/61/402823861.db2.gz IUDHHHHYCFCURY-OAHLLOKOSA-N 1 0 323.481 2.145 10 0 DEAERO CC[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000184217710 402827626 /nfs/dbraw/zinc/82/76/26/402827626.db2.gz SKZAEZRLAKKRKW-DLBZAZTESA-N 1 0 322.424 2.282 10 0 DEAERO CCOC[C@H]1CC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000195040021 402828069 /nfs/dbraw/zinc/82/80/69/402828069.db2.gz HNQNKUAIRKBRLO-ZDUSSCGKSA-N 1 0 306.431 2.458 10 0 DEAERO CC[C@@H]1CN(c2ccccc2)CCN1C(=O)C[N@H+](C)C(C)C ZINC000184272728 402832164 /nfs/dbraw/zinc/83/21/64/402832164.db2.gz AQMOVFBTKFLERS-MRXNPFEDSA-N 1 0 303.450 2.454 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000175852160 402837981 /nfs/dbraw/zinc/83/79/81/402837981.db2.gz PCIZEPBEAOYXAD-CYBMUJFWSA-N 1 0 307.312 2.462 10 0 DEAERO CC(C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccnc1 ZINC000175897846 402841076 /nfs/dbraw/zinc/84/10/76/402841076.db2.gz MYPWHGKTWLTAAT-CVEARBPZSA-N 1 0 304.438 2.167 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)C1 ZINC000195309224 402841057 /nfs/dbraw/zinc/84/10/57/402841057.db2.gz XPFYLDRFHHVWDF-VXGBXAGGSA-N 1 0 312.360 2.333 10 0 DEAERO CCc1cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)oc1CC ZINC000184398100 402841225 /nfs/dbraw/zinc/84/12/25/402841225.db2.gz JHTIPTLVTRRYQB-AWEZNQCLSA-N 1 0 321.465 2.160 10 0 DEAERO O=C(C[NH2+][C@H](CO)c1ccccc1)Nc1cc(F)cc(F)c1 ZINC000183629718 402783147 /nfs/dbraw/zinc/78/31/47/402783147.db2.gz YWBGAIQHEDNIGM-OAHLLOKOSA-N 1 0 306.312 2.227 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1cccc2c1OCO2 ZINC000194152621 402786438 /nfs/dbraw/zinc/78/64/38/402786438.db2.gz KYNAQYKEPDERHN-AWEZNQCLSA-N 1 0 321.421 2.191 10 0 DEAERO CCC[C@@H](C)CC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000176003842 402847114 /nfs/dbraw/zinc/84/71/14/402847114.db2.gz KKJAMYVOKIQCLD-SJORKVTESA-N 1 0 309.498 2.441 10 0 DEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504871 402848054 /nfs/dbraw/zinc/84/80/54/402848054.db2.gz YNCPRGWSJDSAJE-CYBMUJFWSA-N 1 0 306.454 2.293 10 0 DEAERO Cc1nc(C[C@H]2CCC[N@H+](CCC(=O)NC3CCCC3)C2)no1 ZINC000195518321 402850286 /nfs/dbraw/zinc/85/02/86/402850286.db2.gz WXGQGSIFDCGGCH-CQSZACIVSA-N 1 0 320.437 2.081 10 0 DEAERO c1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@@H](C4OCCO4)C3)C2)cc1 ZINC000271364012 402862742 /nfs/dbraw/zinc/86/27/42/402862742.db2.gz NXNFJHKYGQEKBY-QZTJIDSGSA-N 1 0 316.445 2.346 10 0 DEAERO C[C@H]([NH2+]CC1(O)CCOCC1)c1ccc(Br)cn1 ZINC000280191469 402973464 /nfs/dbraw/zinc/97/34/64/402973464.db2.gz SFMBKNZCJQYOSJ-JTQLQIEISA-N 1 0 315.211 2.036 10 0 DEAERO CN1CCO[C@H](CNc2nnc(Cc3ccc(F)cc3)s2)C1 ZINC000273165345 402978857 /nfs/dbraw/zinc/97/88/57/402978857.db2.gz CRFFQAGSBIJUIC-CYBMUJFWSA-N 1 0 322.409 2.011 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000280823200 403040380 /nfs/dbraw/zinc/04/03/80/403040380.db2.gz UGSDYQQQHOICNJ-QWHCGFSZSA-N 1 0 307.442 2.490 10 0 DEAERO CC(C)(C)c1nnc2ccc(N3CC[N@@H+]4CCCC[C@@H]4C3)nn21 ZINC000274706427 403080223 /nfs/dbraw/zinc/08/02/23/403080223.db2.gz WIRYEAGAFYRZPW-CYBMUJFWSA-N 1 0 314.437 2.096 10 0 DEAERO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1nc(C)ccc1O)C1CC1 ZINC000275541580 403103970 /nfs/dbraw/zinc/10/39/70/403103970.db2.gz FMOBBGMJSLIYNS-HNNXBMFYSA-N 1 0 303.406 2.071 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccncc1Br ZINC000268569975 403095329 /nfs/dbraw/zinc/09/53/29/403095329.db2.gz BMOXRVOENKZQCV-JTQLQIEISA-N 1 0 312.211 2.010 10 0 DEAERO CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccnc2)nn1 ZINC000276310713 403163203 /nfs/dbraw/zinc/16/32/03/403163203.db2.gz MCRRBSDHSLHRSN-LSDHHAIUSA-N 1 0 315.421 2.174 10 0 DEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1sccc1Br ZINC000282216292 403133204 /nfs/dbraw/zinc/13/32/04/403133204.db2.gz DRRVARWJVQKOHF-CBAPKCEASA-N 1 0 303.225 2.267 10 0 DEAERO CC(=O)N(C[C@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1)C1CC1 ZINC000276598380 403190248 /nfs/dbraw/zinc/19/02/48/403190248.db2.gz VHMPSIYCEBJHRS-RTBURBONSA-N 1 0 316.445 2.065 10 0 DEAERO C[NH+](C)CCN(Cc1ccccc1)C(=O)C1CCC(=O)CC1 ZINC000342730330 403325836 /nfs/dbraw/zinc/32/58/36/403325836.db2.gz JRNYCRJUIZGHPH-UHFFFAOYSA-N 1 0 302.418 2.336 10 0 DEAERO CNC(=O)[C@@H]1C[C@@H]([NH2+]C(C)C)CN1Cc1ccccc1Cl ZINC000299795520 403577425 /nfs/dbraw/zinc/57/74/25/403577425.db2.gz LUWTZPHVQQDYKE-HIFRSBDPSA-N 1 0 309.841 2.027 10 0 DEAERO Cn1cc([C@@H](CNc2ccc(Br)cn2)[NH+](C)C)cn1 ZINC000301347798 403618896 /nfs/dbraw/zinc/61/88/96/403618896.db2.gz HQSQYJGQHKPSAP-GFCCVEGCSA-N 1 0 324.226 2.292 10 0 DEAERO C[N@@H+]1CCO[C@H]2CN(c3cc4ccccc4c(Cl)n3)C[C@H]21 ZINC000301659885 403660743 /nfs/dbraw/zinc/66/07/43/403660743.db2.gz MFTZQEIHKKNVRO-KGLIPLIRSA-N 1 0 303.793 2.407 10 0 DEAERO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333116546 403669337 /nfs/dbraw/zinc/66/93/37/403669337.db2.gz YVKHXOOUHCCTNR-UONOGXRCSA-N 1 0 319.453 2.164 10 0 DEAERO Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2cccc(F)c2n1 ZINC000301729206 403671615 /nfs/dbraw/zinc/67/16/15/403671615.db2.gz WQPXTAIIOABKJS-HOTGVXAUSA-N 1 0 301.365 2.202 10 0 DEAERO CCOc1cc2c(cc1NC(=O)N1CC[NH2+]C[C@H]1C)O[C@H](C)C2 ZINC000333153802 403679744 /nfs/dbraw/zinc/67/97/44/403679744.db2.gz MSFDGXYAAJZMMW-VXGBXAGGSA-N 1 0 319.405 2.234 10 0 DEAERO COc1nc(C)nc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000301862612 403691603 /nfs/dbraw/zinc/69/16/03/403691603.db2.gz CPYIRRXCVRTPIG-BETUJISGSA-N 1 0 322.453 2.403 10 0 DEAERO CC(C)c1nc(N[C@H]2CCCCC[C@@H]2CO)nc(N(C)C)n1 ZINC000301948127 403703922 /nfs/dbraw/zinc/70/39/22/403703922.db2.gz HWQCDXOTBZVMGG-OLZOCXBDSA-N 1 0 307.442 2.414 10 0 DEAERO COc1cccc([C@@H](C)NC(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000333240656 403704656 /nfs/dbraw/zinc/70/46/56/403704656.db2.gz DUIBYYPAWSGEIJ-CYBMUJFWSA-N 1 0 303.406 2.294 10 0 DEAERO CNC(=O)c1cccnc1N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000301989689 403706855 /nfs/dbraw/zinc/70/68/55/403706855.db2.gz OSKJBMZZBHCFGR-MJBXVCDLSA-N 1 0 304.438 2.220 10 0 DEAERO Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@H]1CCc3nnnn3CC1)CC2 ZINC000333510889 403769549 /nfs/dbraw/zinc/76/95/49/403769549.db2.gz JCRJMHDZJHNKOJ-GXSJLCMTSA-N 1 0 323.322 2.072 10 0 DEAERO Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn2ccnc12 ZINC000333272818 403713195 /nfs/dbraw/zinc/71/31/95/403713195.db2.gz GIQSYOZNGJDMCX-NWANDNLSSA-N 1 0 313.405 2.234 10 0 DEAERO c1nc2sc3c(c2c(N2CC[NH+]4CCC2CC4)n1)CCC3 ZINC000302761369 403721738 /nfs/dbraw/zinc/72/17/38/403721738.db2.gz KEVWGVGSQUJSMU-UHFFFAOYSA-N 1 0 300.431 2.464 10 0 DEAERO O=C(Nc1ncc(C(F)(F)F)s1)N[C@@H]1CCCC[NH2+]C1 ZINC000333341605 403728570 /nfs/dbraw/zinc/72/85/70/403728570.db2.gz PTVUNZRLDZBORW-SSDOTTSWSA-N 1 0 308.329 2.426 10 0 DEAERO O=C(NCC1(CO)CC2(CCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000333345407 403729832 /nfs/dbraw/zinc/72/98/32/403729832.db2.gz UOCHWSVJPWMCLF-MRXNPFEDSA-N 1 0 320.477 2.452 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1nc(C2CCOCC2)cs1 ZINC000333369540 403736612 /nfs/dbraw/zinc/73/66/12/403736612.db2.gz UTZRRMBQZFFITI-JQWIXIFHSA-N 1 0 324.450 2.157 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CCOCC2)C12CCCC2 ZINC000181782281 286387696 /nfs/dbraw/zinc/38/76/96/286387696.db2.gz XFZALGYTIBAMEF-IXDOHACOSA-N 1 0 310.482 2.282 10 0 DEAERO FC(F)(F)Oc1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000368815615 403867423 /nfs/dbraw/zinc/86/74/23/403867423.db2.gz FITXHNXCVPVBRD-CYBMUJFWSA-N 1 0 316.323 2.102 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000333834540 403879496 /nfs/dbraw/zinc/87/94/96/403879496.db2.gz NDJXKAJVWPFXMA-HZPDHXFCSA-N 1 0 321.396 2.051 10 0 DEAERO CC(=O)CC[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295445754 403928028 /nfs/dbraw/zinc/92/80/28/403928028.db2.gz XAPRKYMNXDSGHD-CYBMUJFWSA-N 1 0 300.196 2.393 10 0 DEAERO Cc1nc(N)nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000310481748 403967093 /nfs/dbraw/zinc/96/70/93/403967093.db2.gz DZKBTPRDVUZVOY-BZUAXINKSA-N 1 0 324.432 2.085 10 0 DEAERO Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000369174626 403991415 /nfs/dbraw/zinc/99/14/15/403991415.db2.gz PXEFYOFLNOORKO-IJEWVQPXSA-N 1 0 316.449 2.178 10 0 DEAERO Cn1cc(CCC[NH2+]Cc2ccn(Cc3ccccc3)n2)cn1 ZINC000314169311 403993245 /nfs/dbraw/zinc/99/32/45/403993245.db2.gz OQQNJKXLFCKXDR-UHFFFAOYSA-N 1 0 309.417 2.387 10 0 DEAERO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362926089 404006674 /nfs/dbraw/zinc/00/66/74/404006674.db2.gz XMGPLHCBHKWVAR-CYBMUJFWSA-N 1 0 304.369 2.200 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2F)C[C@@]1(C)C[NH3+] ZINC000312261002 403973469 /nfs/dbraw/zinc/97/34/69/403973469.db2.gz HCDUGIIRJGCKNE-NOZJJQNGSA-N 1 0 320.817 2.085 10 0 DEAERO c1ccc(N2CCOCC2)c(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000341558428 404033408 /nfs/dbraw/zinc/03/34/08/404033408.db2.gz FCIMEFVPQZACPG-UHFFFAOYSA-N 1 0 302.418 2.136 10 0 DEAERO Cc1sc2nc(CN3C[C@@H](C)[C@@H]([NH+](C)C)C3)nc(N)c2c1C ZINC000317572970 404037819 /nfs/dbraw/zinc/03/78/19/404037819.db2.gz MAYSADQRVRHEHW-SKDRFNHKSA-N 1 0 319.478 2.272 10 0 DEAERO O=C(CC/C=C/c1ccccc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369566284 404144850 /nfs/dbraw/zinc/14/48/50/404144850.db2.gz DFEIKOZASOMXPN-QLIIXQJQSA-N 1 0 314.429 2.459 10 0 DEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CCCN(c3ccc(C)nn3)C2)C1(C)C ZINC000329288995 404291271 /nfs/dbraw/zinc/29/12/71/404291271.db2.gz QFZCBAXJDDWOPN-YQFWSFKMSA-N 1 0 318.465 2.403 10 0 DEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCC3)CC2 ZINC000329456269 404342272 /nfs/dbraw/zinc/34/22/72/404342272.db2.gz MWQCDLLUUHTOAQ-XOUADPBQSA-N 1 0 316.449 2.264 10 0 DEAERO CO[C@H]1C[C@@H](CO)[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000344679992 404301993 /nfs/dbraw/zinc/30/19/93/404301993.db2.gz QSDMTXKOUOIDLQ-RYUDHWBXSA-N 1 0 320.216 2.454 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc3nc[nH]c3cc2F)C1 ZINC000329364510 404315502 /nfs/dbraw/zinc/31/55/02/404315502.db2.gz HXPCEXJXDSMKEG-LLVKDONJSA-N 1 0 304.369 2.258 10 0 DEAERO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@H]1c1nncn1C ZINC000329759001 404444204 /nfs/dbraw/zinc/44/42/04/404444204.db2.gz OIHYBUHMXGWUMA-INIZCTEOSA-N 1 0 323.404 2.041 10 0 DEAERO CCOC(=O)[C@@](C)(O)C[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000365390541 404644601 /nfs/dbraw/zinc/64/46/01/404644601.db2.gz JSXCHHRXVFSUBO-SFHVURJKSA-N 1 0 319.401 2.098 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000356765245 404684422 /nfs/dbraw/zinc/68/44/22/404684422.db2.gz HMTXVUJKFPAWEI-CYBMUJFWSA-N 1 0 305.422 2.128 10 0 DEAERO C[C@H](NCc1ncc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000414855435 404749035 /nfs/dbraw/zinc/74/90/35/404749035.db2.gz NEQRTXPWDVCMDD-DTWKUNHWSA-N 1 0 304.257 2.383 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000366185156 404768739 /nfs/dbraw/zinc/76/87/39/404768739.db2.gz BPMIKADIPBUXAQ-CQSZACIVSA-N 1 0 304.438 2.068 10 0 DEAERO OCC[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000366444586 404792399 /nfs/dbraw/zinc/79/23/99/404792399.db2.gz RVLITGUENMARMJ-YJBOKZPZSA-N 1 0 317.360 2.159 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000415275015 404838749 /nfs/dbraw/zinc/83/87/49/404838749.db2.gz URGBECPUOAMPLP-TZMCWYRMSA-N 1 0 318.421 2.118 10 0 DEAERO C[C@H](NC(=O)N1CCOCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000376866776 404829955 /nfs/dbraw/zinc/82/99/55/404829955.db2.gz MVQGQBKNBLTQOM-HRCADAONSA-N 1 0 323.481 2.460 10 0 DEAERO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC2(C1)CCCCC2 ZINC000377877460 404849839 /nfs/dbraw/zinc/84/98/39/404849839.db2.gz BRRBAYVIWCWJBL-HOTGVXAUSA-N 1 0 321.465 2.215 10 0 DEAERO Clc1ccccc1O[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000378243806 404906750 /nfs/dbraw/zinc/90/67/50/404906750.db2.gz ODZOFCMFKSCPMN-CYBMUJFWSA-N 1 0 306.797 2.475 10 0 DEAERO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(C)cs2)CC1 ZINC000451243057 404916847 /nfs/dbraw/zinc/91/68/47/404916847.db2.gz AVAHZSMJRSPTNX-UHFFFAOYSA-N 1 0 316.492 2.457 10 0 DEAERO CC[C@@H]([NH2+][C@@H](C)c1cncc(Br)c1)C(=O)NC ZINC000568276877 292328835 /nfs/dbraw/zinc/32/88/35/292328835.db2.gz QTCCKUSBTWVHFJ-GZMMTYOYSA-N 1 0 300.200 2.019 10 0 DEAERO C[C@H]([NH2+]Cc1c(Br)cnn1C)[C@@H]1CCCOC1 ZINC000388948005 405036794 /nfs/dbraw/zinc/03/67/94/405036794.db2.gz HLCPIVOHUCLCEA-VHSXEESVSA-N 1 0 302.216 2.087 10 0 DEAERO C[C@H]1CCOCCN1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000378496471 404982757 /nfs/dbraw/zinc/98/27/57/404982757.db2.gz KATPIPGZXMTNAP-HOCLYGCPSA-N 1 0 305.422 2.110 10 0 DEAERO C[C@H]1CCOCC[N@@H+]1C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000367291731 404998720 /nfs/dbraw/zinc/99/87/20/404998720.db2.gz PCAWTEUSTABAFX-JKSUJKDBSA-N 1 0 302.418 2.260 10 0 DEAERO CN(CC1CC1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000361379327 405046807 /nfs/dbraw/zinc/04/68/07/405046807.db2.gz USFOEQNRRUFAOF-BRWVUGGUSA-N 1 0 308.466 2.260 10 0 DEAERO O=C1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CCN1 ZINC000396690634 405058798 /nfs/dbraw/zinc/05/87/98/405058798.db2.gz TVUYMGWFHIASOJ-LBPRGKRZSA-N 1 0 315.186 2.347 10 0 DEAERO Brc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cnn[nH]1)C2 ZINC000398372965 405060419 /nfs/dbraw/zinc/06/04/19/405060419.db2.gz PMZXEMVVPCJUEK-GFCCVEGCSA-N 1 0 307.195 2.214 10 0 DEAERO C[C@@H]1CCOCCN1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000367653802 405114244 /nfs/dbraw/zinc/11/42/44/405114244.db2.gz AQXOGURFMZDKKU-LLVKDONJSA-N 1 0 321.402 2.452 10 0 DEAERO Cn1nnc2cc(C[N@@H+]3CC[C@H](C(C)(C)C)[C@H](O)C3)ccc21 ZINC000408198541 405136274 /nfs/dbraw/zinc/13/62/74/405136274.db2.gz NHMZWAPSHPLXHM-XJKSGUPXSA-N 1 0 302.422 2.197 10 0 DEAERO C[C@@H]1CCCN(C(=O)C[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)C1 ZINC000408423501 405203210 /nfs/dbraw/zinc/20/32/10/405203210.db2.gz PESMDPSCTNQYMY-VKJFTORMSA-N 1 0 310.482 2.412 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000439042169 405263863 /nfs/dbraw/zinc/26/38/63/405263863.db2.gz JUAHLCKECSCABA-DZGCQCFKSA-N 1 0 317.339 2.114 10 0 DEAERO COC1([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)CCOCC1 ZINC000453207949 405289322 /nfs/dbraw/zinc/28/93/22/405289322.db2.gz IMWXGIODYIDVEQ-ZDUSSCGKSA-N 1 0 303.406 2.279 10 0 DEAERO Clc1ccc(OCCN2CCO[C@@H]3C[NH2+]C[C@@H]32)c(Cl)c1 ZINC000420406442 405345311 /nfs/dbraw/zinc/34/53/11/405345311.db2.gz REHRFKQABHWGRV-GXTWGEPZSA-N 1 0 317.216 2.045 10 0 DEAERO C[C@@H](CNC(=O)NCCOCC1CCC1)C[NH+]1CCCCC1 ZINC000568578207 292349803 /nfs/dbraw/zinc/34/98/03/292349803.db2.gz XWVHDRMRNNLVBL-HNNXBMFYSA-N 1 0 311.470 2.224 10 0 DEAERO CN(C)c1ncc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)s1 ZINC000556699338 405507525 /nfs/dbraw/zinc/50/75/25/405507525.db2.gz BRLPOEPDAFSHON-NSHDSACASA-N 1 0 319.434 2.459 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@H](CO)CC(C)(C)C)CC1 ZINC000458658488 405526755 /nfs/dbraw/zinc/52/67/55/405526755.db2.gz NLHOUEDCMPVOSV-HNNXBMFYSA-N 1 0 311.470 2.077 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](OC)C2CC2)CC1 ZINC000458865864 405632324 /nfs/dbraw/zinc/63/23/24/405632324.db2.gz UVGIMABHIKNCPI-MRXNPFEDSA-N 1 0 311.470 2.175 10 0 DEAERO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(-c2cccnc2)on1 ZINC000457078135 405683415 /nfs/dbraw/zinc/68/34/15/405683415.db2.gz QLIGZHOJQBCACL-UHFFFAOYSA-N 1 0 314.389 2.341 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1 ZINC000528749227 405735818 /nfs/dbraw/zinc/73/58/18/405735818.db2.gz CPEQVQPPZPDDQF-XWKYAYKISA-N 1 0 321.417 2.030 10 0 DEAERO Cc1c(Br)cccc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638891865 405744954 /nfs/dbraw/zinc/74/49/54/405744954.db2.gz VFXYRDOABIJZET-KOLCDFICSA-N 1 0 311.223 2.424 10 0 DEAERO C[C@H]1CN(C(=O)c2csc(Br)c2)C[C@H]1C[NH3+] ZINC000638894244 405746342 /nfs/dbraw/zinc/74/63/42/405746342.db2.gz UYZGKOXLFRHBDU-IONNQARKSA-N 1 0 303.225 2.177 10 0 DEAERO Cc1ccc(Br)c(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638898596 405748815 /nfs/dbraw/zinc/74/88/15/405748815.db2.gz BCYRTVZVTKRXAI-MNOVXSKESA-N 1 0 311.223 2.424 10 0 DEAERO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ncccn2)cc1 ZINC000583622084 405777581 /nfs/dbraw/zinc/77/75/81/405777581.db2.gz KJXOGYNHZHNMAZ-WMZOPIPTSA-N 1 0 313.401 2.357 10 0 DEAERO C[C@@H](O)CC[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000450228777 405788336 /nfs/dbraw/zinc/78/83/36/405788336.db2.gz VDVPQTUPEBLSAZ-CQSZACIVSA-N 1 0 312.841 2.107 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)c2conc2C(C)(C)[NH3+])c1 ZINC000584182698 405844403 /nfs/dbraw/zinc/84/44/03/405844403.db2.gz IRNVXRCEDZKJFK-UHFFFAOYSA-N 1 0 316.361 2.103 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ncccc1N ZINC000633804751 405850669 /nfs/dbraw/zinc/85/06/69/405850669.db2.gz YWEDYFHSIJSJRE-GOEBONIOSA-N 1 0 324.428 2.162 10 0 DEAERO CCCC[N@H+](C)CCNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457569617 405900372 /nfs/dbraw/zinc/90/03/72/405900372.db2.gz QVYUWBKYYALXDG-UHFFFAOYSA-N 1 0 306.406 2.243 10 0 DEAERO c1c(C[N@H+](CC2CC2)CC2CCC2)nnn1C[C@H]1CCOC1 ZINC000639129568 405908590 /nfs/dbraw/zinc/90/85/90/405908590.db2.gz UUUUUJJKCBEVNO-MRXNPFEDSA-N 1 0 304.438 2.327 10 0 DEAERO Cc1nn(C)cc1CC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000451006543 406016094 /nfs/dbraw/zinc/01/60/94/406016094.db2.gz VMDUMOXJLPXNQS-UHFFFAOYSA-N 1 0 320.481 2.432 10 0 DEAERO CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2cc(=O)c(O)co2)C1 ZINC000531614475 405984646 /nfs/dbraw/zinc/98/46/46/405984646.db2.gz HWFTZQFATVSXTL-GFCCVEGCSA-N 1 0 323.389 2.289 10 0 DEAERO CC(C)(C)OC(=O)C[C@H]1CCCN(CC(=O)N2CCCCC2)C1 ZINC000531614588 405985386 /nfs/dbraw/zinc/98/53/86/405985386.db2.gz LZKVVWNWYZDMFJ-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/06/78/28/406067828.db2.gz LJVMKJMRBIXFOP-FGTMMUONSA-N 1 0 322.493 2.303 10 0 DEAERO c1cc(C[NH2+]CCC[C@H]2CCO2)cc(N2CCSCC2)n1 ZINC000639388247 406076238 /nfs/dbraw/zinc/07/62/38/406076238.db2.gz ZTRYQTBFDPIDEY-HNNXBMFYSA-N 1 0 307.463 2.294 10 0 DEAERO CN(Cc1ccncc1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000639392470 406078899 /nfs/dbraw/zinc/07/88/99/406078899.db2.gz HMKFXOUJPVFLTF-CQSZACIVSA-N 1 0 310.239 2.370 10 0 DEAERO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000471782442 406117905 /nfs/dbraw/zinc/11/79/05/406117905.db2.gz SHOXYZXJVDUMLJ-UXIGCNINSA-N 1 0 312.435 2.276 10 0 DEAERO CC(=O)N(CC(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000639528034 406131361 /nfs/dbraw/zinc/13/13/61/406131361.db2.gz ZPRAQHNLZIMQSJ-OAHLLOKOSA-N 1 0 317.433 2.030 10 0 DEAERO c1nc2n(n1)[C@H](C[N@H+]1CCC[C@H]1Cn1cnc3ccccc31)CC2 ZINC000639563878 406147731 /nfs/dbraw/zinc/14/77/31/406147731.db2.gz CFXCPFBXHBAWIV-GJZGRUSLSA-N 1 0 322.416 2.280 10 0 DEAERO COC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000534339107 406184253 /nfs/dbraw/zinc/18/42/53/406184253.db2.gz FSLUXLNCMRMBHK-CHWSQXEVSA-N 1 0 306.431 2.483 10 0 DEAERO CC(C)(C)OCC[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634700764 406231993 /nfs/dbraw/zinc/23/19/93/406231993.db2.gz FHULQIFVPSWCAK-SFHVURJKSA-N 1 0 306.450 2.028 10 0 DEAERO c1nc(C2CC2)ncc1CC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000535190772 406215886 /nfs/dbraw/zinc/21/58/86/406215886.db2.gz LWVZOZXFUFVZFM-UHFFFAOYSA-N 1 0 324.432 2.077 10 0 DEAERO O[C@@H](C[NH2+]C[C@H]1CCCCC(F)(F)C1)CC1(O)CCOCC1 ZINC000634715123 406242865 /nfs/dbraw/zinc/24/28/65/406242865.db2.gz XZXZPRXXVAXBTG-UONOGXRCSA-N 1 0 321.408 2.084 10 0 DEAERO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCn2nccc21 ZINC000487727734 406259170 /nfs/dbraw/zinc/25/91/70/406259170.db2.gz JSYGFVXPAHMGKZ-AWEZNQCLSA-N 1 0 302.422 2.274 10 0 DEAERO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C)c1ccc(Cl)cc1 ZINC000488738045 406342740 /nfs/dbraw/zinc/34/27/40/406342740.db2.gz YQYULPOUIDSIGF-OBJOEFQTSA-N 1 0 310.825 2.220 10 0 DEAERO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488740190 406344070 /nfs/dbraw/zinc/34/40/70/406344070.db2.gz AGSUVUXLWVNKOX-GZBFAFLISA-N 1 0 322.474 2.287 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CCN2C(C)=O ZINC000546012502 406344830 /nfs/dbraw/zinc/34/48/30/406344830.db2.gz QPDNOOGQSFYCJD-KRWDZBQOSA-N 1 0 315.417 2.409 10 0 DEAERO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000488800843 406349873 /nfs/dbraw/zinc/34/98/73/406349873.db2.gz FHRZSBGEGBSFEJ-NOCIGQNYSA-N 1 0 319.445 2.144 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]C[C@H]2CSc3ccccc32)CC1 ZINC000634982668 406384724 /nfs/dbraw/zinc/38/47/24/406384724.db2.gz RGTNAMQLRPCKTH-STQMWFEESA-N 1 0 311.472 2.433 10 0 DEAERO C(c1nc(C2CCC2)no1)C1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634997728 406391879 /nfs/dbraw/zinc/39/18/79/406391879.db2.gz RFBBXTYWMKMCOM-UHFFFAOYSA-N 1 0 316.449 2.344 10 0 DEAERO CC(C)[C@H]1CCCN1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637920612 406477996 /nfs/dbraw/zinc/47/79/96/406477996.db2.gz OGQWLDKVGBVGHR-IAGOWNOFSA-N 1 0 303.450 2.093 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccncn2)[C@H]1c1cccs1 ZINC000548289483 406497353 /nfs/dbraw/zinc/49/73/53/406497353.db2.gz XNQZOHBKCMECRG-WFASDCNBSA-N 1 0 316.430 2.351 10 0 DEAERO c1ccn2c(c1)nnc2[C@H]1CCC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000637879284 406458804 /nfs/dbraw/zinc/45/88/04/406458804.db2.gz OPVSTOHYVMIFEY-GJZGRUSLSA-N 1 0 300.406 2.478 10 0 DEAERO [NH3+][C@@H]1CC=C(C(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000637896262 406467845 /nfs/dbraw/zinc/46/78/45/406467845.db2.gz KCEYRJABBSXLOV-MRXNPFEDSA-N 1 0 300.402 2.242 10 0 DEAERO [NH3+][C@H]1CC=C(C(=O)N2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000638023008 406528404 /nfs/dbraw/zinc/52/84/04/406528404.db2.gz KQTMCSHYNDEVEL-WBVHZDCISA-N 1 0 300.402 2.099 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000548645561 406536192 /nfs/dbraw/zinc/53/61/92/406536192.db2.gz FOTKJJPHKAIODS-CYBMUJFWSA-N 1 0 310.463 2.248 10 0 DEAERO CN1CCO[C@@H](C[N@H+](C)Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638053607 406546633 /nfs/dbraw/zinc/54/66/33/406546633.db2.gz KGEJDUADAXWAFX-GFCCVEGCSA-N 1 0 318.248 2.338 10 0 DEAERO COc1cc(CN(C)C(=O)CCCC[NH+](C)C)cc(OC)c1 ZINC000552370097 406704799 /nfs/dbraw/zinc/70/47/99/406704799.db2.gz SAFOFLAEYGXRPR-UHFFFAOYSA-N 1 0 308.422 2.394 10 0 DEAERO C[C@@H]1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000638404731 406752343 /nfs/dbraw/zinc/75/23/43/406752343.db2.gz LJSUAUSXWXLDDL-BFYDXBDKSA-N 1 0 303.450 2.093 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCCC1CCC1 ZINC000638414468 406758771 /nfs/dbraw/zinc/75/87/71/406758771.db2.gz GLBKOYWCNJUMRP-QGZVFWFLSA-N 1 0 303.450 2.142 10 0 DEAERO c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000554241639 406788424 /nfs/dbraw/zinc/78/84/24/406788424.db2.gz OLYIPCLDOXCJJA-QGZVFWFLSA-N 1 0 320.400 2.437 10 0 DEAERO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)CCCC(F)(F)F ZINC000213815576 299814355 /nfs/dbraw/zinc/81/43/55/299814355.db2.gz XBLDXZMWZYMSSY-WDEREUQCSA-N 1 0 316.389 2.156 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCCCC1 ZINC000346494485 287057760 /nfs/dbraw/zinc/05/77/60/287057760.db2.gz QGKIOGRSADMACB-UKRRQHHQSA-N 1 0 302.484 2.359 10 0 DEAERO CC[C@@H]1CN([C@H](C)c2nc(C(C)(C)C)no2)CC[N@@H+]1C[C@@H](C)O ZINC000247210131 287211296 /nfs/dbraw/zinc/21/12/96/287211296.db2.gz PTGYPOXFTRVPPX-MGPQQGTHSA-N 1 0 324.469 2.205 10 0 DEAERO COC(=O)CCCOc1ccc(Br)c(CC[NH3+])c1 ZINC000129141990 196022345 /nfs/dbraw/zinc/02/23/45/196022345.db2.gz SLEHWTCLNRIGGY-UHFFFAOYSA-N 1 0 316.195 2.282 10 0 DEAERO O=C(c1cc(Cl)ncc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000129157399 196025155 /nfs/dbraw/zinc/02/51/55/196025155.db2.gz XHJHZWULMAMSOX-VIFPVBQESA-N 1 0 300.189 2.309 10 0 DEAERO [NH3+]CCc1cc(OCCn2ccnc2)ccc1Br ZINC000129225197 196030258 /nfs/dbraw/zinc/03/02/58/196030258.db2.gz XJAXWNFIUQQSLL-UHFFFAOYSA-N 1 0 310.195 2.226 10 0 DEAERO C[C@@H](CC[NH3+])C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000129353404 196041866 /nfs/dbraw/zinc/04/18/66/196041866.db2.gz AGCCFOYFMHJBMW-NSHDSACASA-N 1 0 315.870 2.031 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc(Cl)ncc2Cl)C[C@@H]1[NH+](C)C ZINC000129378468 196043105 /nfs/dbraw/zinc/04/31/05/196043105.db2.gz XLVVCUGUMJRJCE-KCJUWKMLSA-N 1 0 302.205 2.411 10 0 DEAERO CC1(CNc2nc3c(Br)cccn3n2)CC[NH2+]CC1 ZINC000129483696 196052080 /nfs/dbraw/zinc/05/20/80/196052080.db2.gz GPGFBWHUQRPDNB-UHFFFAOYSA-N 1 0 324.226 2.293 10 0 DEAERO CC[NH2+]C[C@@H]1CCC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129560886 196057939 /nfs/dbraw/zinc/05/79/39/196057939.db2.gz WPUSGOGDRFPTAS-ZNMIVQPWSA-N 1 0 302.484 2.074 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)[C@@H](C[NH3+])C(C)C ZINC000129604155 196061590 /nfs/dbraw/zinc/06/15/90/196061590.db2.gz ZQFKYCRHMBSBJM-JTQLQIEISA-N 1 0 300.200 2.322 10 0 DEAERO COc1ccc(OC[C@H]2CC[C@@H](C[NH3+])O2)c(Br)c1 ZINC000129630628 196063376 /nfs/dbraw/zinc/06/33/76/196063376.db2.gz OIINYDDDXDUHAB-WDEREUQCSA-N 1 0 316.195 2.343 10 0 DEAERO COc1ccc2c(c1)C[C@](C[NH3+])(N1CCCSCC1)CC2 ZINC000129630296 196063457 /nfs/dbraw/zinc/06/34/57/196063457.db2.gz ZFFIXYIZWLCKMA-QGZVFWFLSA-N 1 0 306.475 2.320 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)[C@@H]([NH3+])CC(C)C ZINC000129620845 196063528 /nfs/dbraw/zinc/06/35/28/196063528.db2.gz LKTABLJGNGVBGZ-JTQLQIEISA-N 1 0 300.200 2.464 10 0 DEAERO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(O)c(Br)c1 ZINC000129657599 196065554 /nfs/dbraw/zinc/06/55/54/196065554.db2.gz RUTJKXGGLQHUMR-RYUDHWBXSA-N 1 0 300.196 2.404 10 0 DEAERO CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H](C)CC[S@](C)=O ZINC000129866103 196081981 /nfs/dbraw/zinc/08/19/81/196081981.db2.gz JFDAMVQGVNUMFC-VPCSNGCSSA-N 1 0 302.528 2.488 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)[C@H](N)c1cccs1)c1ccccc1 ZINC000130564645 196092075 /nfs/dbraw/zinc/09/20/75/196092075.db2.gz UJEZUSXTBUCONO-DZGCQCFKSA-N 1 0 303.431 2.167 10 0 DEAERO CCOC1CC[NH+](Cc2cc(C(N)=S)ccc2OC)CC1 ZINC000130574052 196092747 /nfs/dbraw/zinc/09/27/47/196092747.db2.gz MGPZYEOZPYLVQS-UHFFFAOYSA-N 1 0 308.447 2.330 10 0 DEAERO CCCCOCCOC[C@H](O)C[NH2+]CCCC(F)(F)F ZINC000130592650 196093570 /nfs/dbraw/zinc/09/35/70/196093570.db2.gz UUSUAXJGCUTBAE-GFCCVEGCSA-N 1 0 301.349 2.113 10 0 DEAERO COc1ccc(C(N)=S)c(NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000130612376 196095850 /nfs/dbraw/zinc/09/58/50/196095850.db2.gz DFQZVRYAWAOCTO-GFCCVEGCSA-N 1 0 307.463 2.472 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(OC)ccc1C(N)=S ZINC000130663225 196099635 /nfs/dbraw/zinc/09/96/35/196099635.db2.gz FGNZGYRNNWBKHF-LBPRGKRZSA-N 1 0 307.463 2.250 10 0 DEAERO CC[NH2+]C[C@H]1COCCN1Cc1cccc(Br)c1 ZINC000130830060 196114072 /nfs/dbraw/zinc/11/40/72/196114072.db2.gz KVFVHXBBWMCSOE-AWEZNQCLSA-N 1 0 313.239 2.259 10 0 DEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCC[C@@H](C)SC)cc1 ZINC000130937032 196124162 /nfs/dbraw/zinc/12/41/62/196124162.db2.gz YRNCYMRCPQKEKP-VXGBXAGGSA-N 1 0 316.492 2.387 10 0 DEAERO CCc1nn(CCCS(=O)(=O)CC)c(CC)c1[C@@H](C)[NH2+]C ZINC000131038403 196134765 /nfs/dbraw/zinc/13/47/65/196134765.db2.gz OHFMHLCWOIJNJY-GFCCVEGCSA-N 1 0 315.483 2.113 10 0 DEAERO COCC[NH2+][C@](C)(CO)c1cc(Br)ccc1F ZINC000131056809 196135289 /nfs/dbraw/zinc/13/52/89/196135289.db2.gz RRIMTXRNMNMAOQ-GFCCVEGCSA-N 1 0 306.175 2.032 10 0 DEAERO CC1(C)CC(NS(=O)(=O)C[C@H]2CCC[NH2+]2)CC(C)(C)C1 ZINC000131068814 196136688 /nfs/dbraw/zinc/13/66/88/196136688.db2.gz XPAJHMPXMACISH-GFCCVEGCSA-N 1 0 302.484 2.263 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2nc(C)ns2)C1 ZINC000131087892 196138490 /nfs/dbraw/zinc/13/84/90/196138490.db2.gz PJYWKRRLXNKGLY-GXFFZTMASA-N 1 0 314.480 2.105 10 0 DEAERO CC[NH2+][C@@H](C)c1c(CC)nn([C@H]2CCS(=O)(=O)C2)c1CC ZINC000131106535 196140546 /nfs/dbraw/zinc/14/05/46/196140546.db2.gz SSFOZFNQEVSOCG-RYUDHWBXSA-N 1 0 313.467 2.038 10 0 DEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1ncns1 ZINC000131119042 196141677 /nfs/dbraw/zinc/14/16/77/196141677.db2.gz WKWRZWARAUEGST-ZWNOBZJWSA-N 1 0 314.480 2.043 10 0 DEAERO CC[NH2+][C@@H](CC)c1c(CC)nn(CCS(C)(=O)=O)c1CC ZINC000131144849 196143299 /nfs/dbraw/zinc/14/32/99/196143299.db2.gz ZZRUIUXMLBHNCI-LBPRGKRZSA-N 1 0 315.483 2.113 10 0 DEAERO CC(C)[NH2+][C@](CSc1ncns1)(C(N)=O)c1ccccc1 ZINC000131138331 196143674 /nfs/dbraw/zinc/14/36/74/196143674.db2.gz ZJJKUPCMFAIBLC-AWEZNQCLSA-N 1 0 322.459 2.009 10 0 DEAERO COCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000131193718 196148935 /nfs/dbraw/zinc/14/89/35/196148935.db2.gz WFZAFEWBSYTIGK-LBPRGKRZSA-N 1 0 306.175 2.032 10 0 DEAERO CC(C)[C@](C)(C[NH3+])Nc1nc2c(Br)cccn2n1 ZINC000131264542 196154810 /nfs/dbraw/zinc/15/48/10/196154810.db2.gz DGXZEZOOSCCCJX-LBPRGKRZSA-N 1 0 312.215 2.277 10 0 DEAERO CC(C)[C@@](C)(C[NH3+])Nc1nc2ccc(Br)cn2n1 ZINC000131264776 196154842 /nfs/dbraw/zinc/15/48/42/196154842.db2.gz FRQVFCPCSZEVAX-GFCCVEGCSA-N 1 0 312.215 2.277 10 0 DEAERO CC(C)[C@](C)(C[NH3+])Nc1nc2ccc(Br)cn2n1 ZINC000131264989 196154966 /nfs/dbraw/zinc/15/49/66/196154966.db2.gz FRQVFCPCSZEVAX-LBPRGKRZSA-N 1 0 312.215 2.277 10 0 DEAERO Nc1nc(N2CCCCC2)nc(NCCCC(F)(F)F)[nH+]1 ZINC000131261001 196155208 /nfs/dbraw/zinc/15/52/08/196155208.db2.gz BDIGBRFHUXCJEZ-UHFFFAOYSA-N 1 0 304.320 2.199 10 0 DEAERO C[S@@](=O)CC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000131358724 196162294 /nfs/dbraw/zinc/16/22/94/196162294.db2.gz DBCHLFINULGBTP-GTNSWQLSSA-N 1 0 318.236 2.241 10 0 DEAERO CCCn1ncc(Br)c1[C@](C)(O)[C@H]1CCC[NH2+]C1 ZINC000131539537 196177616 /nfs/dbraw/zinc/17/76/16/196177616.db2.gz KBDLLXUUOFEQNM-GXFFZTMASA-N 1 0 316.243 2.263 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Cl)cc1Br ZINC000131538435 196178033 /nfs/dbraw/zinc/17/80/33/196178033.db2.gz PHBYXSCHOLJQNA-VXNVDRBHSA-N 1 0 319.586 2.015 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)c(F)c1 ZINC000131760056 196196451 /nfs/dbraw/zinc/19/64/51/196196451.db2.gz UPRPPHDRACHXJC-RYUDHWBXSA-N 1 0 314.426 2.212 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(F)cc1C)C(C)(C)S(C)(=O)=O ZINC000131933950 196211627 /nfs/dbraw/zinc/21/16/27/196211627.db2.gz PQGCFQVEQYAKEA-CQSZACIVSA-N 1 0 301.427 2.478 10 0 DEAERO COC[C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000131971141 196215297 /nfs/dbraw/zinc/21/52/97/196215297.db2.gz WOQPFLXNLAMQFV-HOTGVXAUSA-N 1 0 304.434 2.392 10 0 DEAERO COc1cc(Cl)cc(C[NH2+]C(C)(C)C)c1OCCC(N)=O ZINC000132111888 196227567 /nfs/dbraw/zinc/22/75/67/196227567.db2.gz HMQOUIOFCNUFJK-UHFFFAOYSA-N 1 0 314.813 2.491 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(Cl)c3ncccc23)CCOCC1 ZINC000132136711 196229482 /nfs/dbraw/zinc/22/94/82/196229482.db2.gz MFBHFVHHRHROFM-UHFFFAOYSA-N 1 0 305.765 2.335 10 0 DEAERO CC(C)C[C@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000132161894 196231444 /nfs/dbraw/zinc/23/14/44/196231444.db2.gz XLTDWTHWMVHJSH-CABCVRRESA-N 1 0 302.484 2.026 10 0 DEAERO [NH3+]C1(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)CCOCC1 ZINC000132174481 196232674 /nfs/dbraw/zinc/23/26/74/196232674.db2.gz BGMIZVXMCYONDU-UHFFFAOYSA-N 1 0 308.809 2.339 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc2[nH]cnc2c1 ZINC000132183667 196233285 /nfs/dbraw/zinc/23/32/85/196233285.db2.gz JGYYHJDCQHTOFQ-MRXNPFEDSA-N 1 0 322.412 2.466 10 0 DEAERO C[C@@H]([NH2+]CCNC(=O)N(C)C)c1ccc(Br)s1 ZINC000132350584 196248270 /nfs/dbraw/zinc/24/82/70/196248270.db2.gz LPSPIKMRSHWKKN-MRVPVSSYSA-N 1 0 320.256 2.432 10 0 DEAERO CCCSCc1nc([C@@H]([NH3+])CCS(C)(=O)=O)cs1 ZINC000132438615 196256512 /nfs/dbraw/zinc/25/65/12/196256512.db2.gz ZXKQCKRIADDITE-VIFPVBQESA-N 1 0 308.494 2.221 10 0 DEAERO C[C@@H]1N[C@H](c2cccs2)N(CC2([NH+](C)C)CCCC2)C1=O ZINC000132447576 196256917 /nfs/dbraw/zinc/25/69/17/196256917.db2.gz MECIPWCHRMTLBO-JSGCOSHPSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](COCc2cc(Br)ccc2F)O1 ZINC000132595556 196268917 /nfs/dbraw/zinc/26/89/17/196268917.db2.gz WKEQBAVYNZEVMU-JOYOIKCWSA-N 1 0 318.186 2.482 10 0 DEAERO CCCn1ncc(Br)c1[C@@H](O)[C@@H]1CCC[NH2+]C1 ZINC000132876922 196292919 /nfs/dbraw/zinc/29/29/19/196292919.db2.gz MUIVCANHFUJTFY-SKDRFNHKSA-N 1 0 302.216 2.089 10 0 DEAERO CC[S@](=O)CC[NH2+]CCOc1ccc(Br)cc1 ZINC000132781319 196283072 /nfs/dbraw/zinc/28/30/72/196283072.db2.gz QAXAYYFGQQFOPB-QGZVFWFLSA-N 1 0 320.252 2.186 10 0 DEAERO c1csc(N2CC[NH+](C[C@H]3Cc4ccccc4N3)CC2)n1 ZINC000133026322 196306112 /nfs/dbraw/zinc/30/61/12/196306112.db2.gz NXOPSOJFLLCSAN-CQSZACIVSA-N 1 0 300.431 2.302 10 0 DEAERO O[C@H](Cc1ccc(F)cc1Br)C1CC[NH2+]CC1 ZINC000133037974 196306562 /nfs/dbraw/zinc/30/65/62/196306562.db2.gz OOHHVTAMSMOPAT-CYBMUJFWSA-N 1 0 302.187 2.491 10 0 DEAERO C[NH2+][C@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000133072729 196308898 /nfs/dbraw/zinc/30/88/98/196308898.db2.gz YFOASTVOLMIALI-UKRRQHHQSA-N 1 0 302.484 2.216 10 0 DEAERO O[C@H](Cc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000133076227 196309814 /nfs/dbraw/zinc/30/98/14/196309814.db2.gz GGKBZFHHOLLZLG-NOZJJQNGSA-N 1 0 302.187 2.491 10 0 DEAERO C[C@H]([NH3+])CCCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000133145671 196315400 /nfs/dbraw/zinc/31/54/00/196315400.db2.gz AETWYNDNZIGYPA-JTQLQIEISA-N 1 0 307.785 2.377 10 0 DEAERO C[C@@H]([NH3+])CCCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000133151283 196315587 /nfs/dbraw/zinc/31/55/87/196315587.db2.gz REWIJYBYOGUZOK-SECBINFHSA-N 1 0 318.826 2.200 10 0 DEAERO COC(=O)c1sc(N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)nc1C ZINC000133260015 196325667 /nfs/dbraw/zinc/32/56/67/196325667.db2.gz IAPFSLCJZOHUCF-JQWIXIFHSA-N 1 0 309.435 2.301 10 0 DEAERO CCC[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000133305177 196329211 /nfs/dbraw/zinc/32/92/11/196329211.db2.gz LBGLMBZFCBQZPY-NSHDSACASA-N 1 0 318.389 2.118 10 0 DEAERO CC[NH2+][C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000133566485 196331200 /nfs/dbraw/zinc/33/12/00/196331200.db2.gz JNRUZNURUYZBRI-LLVKDONJSA-N 1 0 318.389 2.261 10 0 DEAERO CC[NH2+][C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000133566670 196331655 /nfs/dbraw/zinc/33/16/55/196331655.db2.gz JNRUZNURUYZBRI-NSHDSACASA-N 1 0 318.389 2.261 10 0 DEAERO C[NH2+][C@H](CC[C@@H]1CCCO1)c1c(Br)cnn1C ZINC000133733215 196332649 /nfs/dbraw/zinc/33/26/49/196332649.db2.gz FOBWGJIHQDHHHH-GXSJLCMTSA-N 1 0 302.216 2.402 10 0 DEAERO C[C@@](C[NH3+])(Nc1ccc(C(F)(F)F)cc1C(N)=O)C1CC1 ZINC000133797645 196336420 /nfs/dbraw/zinc/33/64/20/196336420.db2.gz JQPUXDCBDBSMOJ-ZDUSSCGKSA-N 1 0 301.312 2.344 10 0 DEAERO C[NH+](C)C(C)(C)CNC(=O)c1cccc(N)c1Br ZINC000134094129 196360486 /nfs/dbraw/zinc/36/04/86/196360486.db2.gz QFWGCUIDKYOHSE-UHFFFAOYSA-N 1 0 314.227 2.101 10 0 DEAERO CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134262854 196375061 /nfs/dbraw/zinc/37/50/61/196375061.db2.gz MHHFVTVMEUFZBT-CQSZACIVSA-N 1 0 306.454 2.458 10 0 DEAERO C[C@@](C[NH3+])(NS(=O)(=O)CCCC(F)(F)F)c1ccccc1 ZINC000134472140 196394316 /nfs/dbraw/zinc/39/43/16/196394316.db2.gz JAIHVBQBAVHLIS-LBPRGKRZSA-N 1 0 324.368 2.122 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])c2ccccc2)cc1 ZINC000134473827 196394601 /nfs/dbraw/zinc/39/46/01/196394601.db2.gz VIYNUANQSPCAHR-INIZCTEOSA-N 1 0 304.415 2.147 10 0 DEAERO C[C@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)C(=O)NC(C)(C)C ZINC000135184379 196451268 /nfs/dbraw/zinc/45/12/68/196451268.db2.gz JXTYSJRSZAWGNT-VIFPVBQESA-N 1 0 312.797 2.462 10 0 DEAERO CCSC[C@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000135413254 196471708 /nfs/dbraw/zinc/47/17/08/196471708.db2.gz HBHPOFPUCHLXND-RYUDHWBXSA-N 1 0 316.492 2.387 10 0 DEAERO CCC[C@@H]([NH3+])CC(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000135867803 196505661 /nfs/dbraw/zinc/50/56/61/196505661.db2.gz LCZDTJNPLDBNPJ-SNVBAGLBSA-N 1 0 307.785 2.377 10 0 DEAERO Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000137153836 196567130 /nfs/dbraw/zinc/56/71/30/196567130.db2.gz YHPDPSHDNSNMPY-GOEBONIOSA-N 1 0 302.422 2.016 10 0 DEAERO COCCCOc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000176339981 224818901 /nfs/dbraw/zinc/81/89/01/224818901.db2.gz SICXLDPGJKXCRS-UHFFFAOYSA-N 1 0 320.433 2.268 10 0 DEAERO CSCC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000193070784 225150438 /nfs/dbraw/zinc/15/04/38/225150438.db2.gz MXGPZEIRWBLGSQ-UHFFFAOYSA-N 1 0 316.268 2.329 10 0 DEAERO Cc1nnc([C@H](C)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000195293669 225201582 /nfs/dbraw/zinc/20/15/82/225201582.db2.gz FRKJWCGKMQHDQG-XJKSGUPXSA-N 1 0 315.421 2.288 10 0 DEAERO CC(=O)Nc1nc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000037917698 424808010 /nfs/dbraw/zinc/80/80/10/424808010.db2.gz AIIDPIYKGLAKFD-JSGCOSHPSA-N 1 0 308.451 2.066 10 0 DEAERO CCCCCCNC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886404 424849239 /nfs/dbraw/zinc/84/92/39/424849239.db2.gz DZADVYMIVPDEHS-UHFFFAOYSA-N 1 0 306.454 2.292 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000105881207 424849419 /nfs/dbraw/zinc/84/94/19/424849419.db2.gz CTZADLUNCCAMLM-LSDHHAIUSA-N 1 0 312.417 2.147 10 0 DEAERO CC1(C)C[N@H+](C[C@H](O)CCc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000361528221 424844840 /nfs/dbraw/zinc/84/48/40/424844840.db2.gz VKTPGIFCQMORPF-IEBWSBKVSA-N 1 0 319.445 2.250 10 0 DEAERO Cc1ccc(C)c(OC[C@H](O)CN2CCC([NH+](C)C)CC2)c1 ZINC000193811626 424870938 /nfs/dbraw/zinc/87/09/38/424870938.db2.gz FHZZKRVJCOSDMM-QGZVFWFLSA-N 1 0 306.450 2.069 10 0 DEAERO COC(C)(C)C[C@@H](C)NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177565297 424864078 /nfs/dbraw/zinc/86/40/78/424864078.db2.gz OLVFQKYJPAGXIE-ZIAGYGMSSA-N 1 0 308.426 2.261 10 0 DEAERO CN(Cc1cncc(Br)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000386371357 424911330 /nfs/dbraw/zinc/91/13/30/424911330.db2.gz RRINUAMPVXNISD-CQSZACIVSA-N 1 0 310.239 2.370 10 0 DEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400214088 424923380 /nfs/dbraw/zinc/92/33/80/424923380.db2.gz WKBWIBZLYFRYRJ-MCIONIFRSA-N 1 0 302.484 2.215 10 0 DEAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc(Br)c[nH]1 ZINC000401448574 424923528 /nfs/dbraw/zinc/92/35/28/424923528.db2.gz YPABHMPYLIDJDE-NSHDSACASA-N 1 0 312.211 2.182 10 0 DEAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc(Br)cn1 ZINC000401635683 424924340 /nfs/dbraw/zinc/92/43/40/424924340.db2.gz XXGFRDQLIWMPSQ-GFCCVEGCSA-N 1 0 324.222 2.249 10 0 DEAERO c1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)sn1 ZINC000404434418 424927275 /nfs/dbraw/zinc/92/72/75/424927275.db2.gz QBERITWNYCRSFL-OAHLLOKOSA-N 1 0 303.431 2.134 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2nscc2Br)CC1 ZINC000404879282 424929755 /nfs/dbraw/zinc/92/97/55/424929755.db2.gz YXPRNDUPAFXIAQ-UHFFFAOYSA-N 1 0 318.240 2.072 10 0 DEAERO CCCC[C@H](C[NH3+])NC(=O)c1nscc1Br ZINC000404816472 424929896 /nfs/dbraw/zinc/92/98/96/424929896.db2.gz PYHVFECLQYUAEA-SSDOTTSWSA-N 1 0 306.229 2.153 10 0 DEAERO CC[NH+](CC)C[C@H](C)NC(=O)c1nscc1Br ZINC000404899403 424930133 /nfs/dbraw/zinc/93/01/33/424930133.db2.gz PGQHGLOQNQSMNV-QMMMGPOBSA-N 1 0 320.256 2.366 10 0 DEAERO COc1ccc(C[C@@H](C)C[N@@H+]2CCCNC(=O)[C@H]2C)cc1F ZINC000249000651 424886700 /nfs/dbraw/zinc/88/67/00/424886700.db2.gz HKRBMZARSZXTMN-CHWSQXEVSA-N 1 0 308.397 2.223 10 0 DEAERO Cc1ccsc1CNC(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249564554 424887528 /nfs/dbraw/zinc/88/75/28/424887528.db2.gz MSGDHNHHYRWZFN-MLGOLLRUSA-N 1 0 310.463 2.156 10 0 DEAERO CCn1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CC=C(C)CC1 ZINC000656857830 425213906 /nfs/dbraw/zinc/21/39/06/425213906.db2.gz WOQNJGFMABMLNL-JJRVBVJISA-N 1 0 302.422 2.311 10 0 DEAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663006907 425777026 /nfs/dbraw/zinc/77/70/26/425777026.db2.gz BTNQNOKJFZIIDP-MRVPVSSYSA-N 1 0 312.675 2.151 10 0 DEAERO [NH3+]CC12CC(C1)CN2c1ncc(Cl)cc1Br ZINC000656611969 425803319 /nfs/dbraw/zinc/80/33/19/425803319.db2.gz RTVZKMSUQISKDR-UHFFFAOYSA-N 1 0 302.603 2.425 10 0 DEAERO C[C@@H]1CN(C(=O)Nc2ccc3cc[nH]c(=O)c3c2)C[C@@H]1[NH+](C)C ZINC000333438972 268946373 /nfs/dbraw/zinc/94/63/73/268946373.db2.gz WARNOKSFTTYNJC-ABAIWWIYSA-N 1 0 314.389 2.354 10 0 DEAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cccnc2CC1 ZINC000333739402 268985657 /nfs/dbraw/zinc/98/56/57/268985657.db2.gz MDEHNFIIYLERRL-USXIJHARSA-N 1 0 322.474 2.274 10 0 DEAERO O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000333885304 269000082 /nfs/dbraw/zinc/00/00/82/269000082.db2.gz XCGNYVSGDZPIMX-UHFFFAOYSA-N 1 0 311.389 2.437 10 0 DEAERO Cc1nn(C)c2ncc(C[N@@H+]3CC[C@H](O)CC34CCC4)cc12 ZINC000333892722 269001377 /nfs/dbraw/zinc/00/13/77/269001377.db2.gz XNKGZOSCLYGRGI-AWEZNQCLSA-N 1 0 300.406 2.156 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(c3nc4ccccc4nc3N3CCCC3)C[C@@H]12 ZINC000333918052 269004293 /nfs/dbraw/zinc/00/42/93/269004293.db2.gz OAMUQUHIFZQWCL-RRFJBIMHSA-N 1 0 323.444 2.404 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000396672436 269103831 /nfs/dbraw/zinc/10/38/31/269103831.db2.gz ZNLFMWSDVKCPOO-KWQFWETISA-N 1 0 315.211 2.373 10 0 DEAERO CCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000397317975 269105964 /nfs/dbraw/zinc/10/59/64/269105964.db2.gz LWWPUGDXSAOOHO-SRVKXCTJSA-N 1 0 316.492 2.304 10 0 DEAERO Cc1ccnc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000397605552 269106699 /nfs/dbraw/zinc/10/66/99/269106699.db2.gz WVBJIMLYDLJHPA-UHFFFAOYSA-N 1 0 312.417 2.224 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000430239934 269127216 /nfs/dbraw/zinc/12/72/16/269127216.db2.gz NVAXLOGPBXSGNC-WMZOPIPTSA-N 1 0 312.417 2.327 10 0 DEAERO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)CCCOc1ccccc1C(N)=O ZINC000514639649 269325663 /nfs/dbraw/zinc/32/56/63/269325663.db2.gz SUKLXVFACGPYKI-MCIONIFRSA-N 1 0 308.422 2.346 10 0 DEAERO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC000526086303 269503334 /nfs/dbraw/zinc/50/33/34/269503334.db2.gz BXRYDBOGQOOJGU-AVGNSLFASA-N 1 0 313.360 2.110 10 0 DEAERO CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)n1C ZINC000127904022 273572578 /nfs/dbraw/zinc/57/25/78/273572578.db2.gz MVZRNBLRZALEMH-ZIAGYGMSSA-N 1 0 302.426 2.409 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1nc2c(s1)COCC2 ZINC000172264668 273641678 /nfs/dbraw/zinc/64/16/78/273641678.db2.gz LYOBZNZVEMRKKU-SNVBAGLBSA-N 1 0 312.439 2.068 10 0 DEAERO COc1cccc2c(N3CCO[C@@H](C[NH+](C)C)C3)cc(C)nc12 ZINC000124919640 274150020 /nfs/dbraw/zinc/15/00/20/274150020.db2.gz GUUCFLBTHXELNV-AWEZNQCLSA-N 1 0 315.417 2.319 10 0 DEAERO O=C([C@@H]1CCOc2ccccc21)N1CCC[N@@H+](C2CC2)CC1 ZINC000076875419 275005630 /nfs/dbraw/zinc/00/56/30/275005630.db2.gz TYHCNPNAKRWQKF-MRXNPFEDSA-N 1 0 300.402 2.249 10 0 DEAERO O=C1NCCC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000104358118 275022942 /nfs/dbraw/zinc/02/29/42/275022942.db2.gz SIUJPPZUZAVBMX-KBPBESRZSA-N 1 0 323.234 2.175 10 0 DEAERO c1cnc(N2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)nc1 ZINC000359592881 275073506 /nfs/dbraw/zinc/07/35/06/275073506.db2.gz ZSWYHUJYEWSXSG-INIZCTEOSA-N 1 0 308.429 2.404 10 0 DEAERO CC(C)(C)OC(=O)N1CCN(c2cccc3c2C[NH2+]CC3)CC1 ZINC000082792853 275825094 /nfs/dbraw/zinc/82/50/94/275825094.db2.gz WFDJZTQNOUIKPB-UHFFFAOYSA-N 1 0 317.433 2.389 10 0 DEAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000246769026 275868938 /nfs/dbraw/zinc/86/89/38/275868938.db2.gz BFKCROYOWKMYDY-BZUAXINKSA-N 1 0 308.466 2.427 10 0 DEAERO CC[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C[C@H]1CCCO1 ZINC000246664094 276080288 /nfs/dbraw/zinc/08/02/88/276080288.db2.gz DTUQRJWQTHBFDB-CHWSQXEVSA-N 1 0 322.371 2.288 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000134594892 276117855 /nfs/dbraw/zinc/11/78/55/276117855.db2.gz IZIOFKIXHSPDAS-CYBMUJFWSA-N 1 0 317.433 2.056 10 0 DEAERO CC[N@H+](Cc1ccccc1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000132104235 276142510 /nfs/dbraw/zinc/14/25/10/276142510.db2.gz FLBQBWGYTOSGDF-KRWDZBQOSA-N 1 0 312.417 2.438 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000357908516 276182206 /nfs/dbraw/zinc/18/22/06/276182206.db2.gz RUCIEDQDIRVTPP-HOTGVXAUSA-N 1 0 321.465 2.237 10 0 DEAERO CCC[C@@H](C(=O)N1CCC(Oc2ccc(C)cn2)CC1)[NH+](C)C ZINC000181563203 276268506 /nfs/dbraw/zinc/26/85/06/276268506.db2.gz LMBUXLXUSQRNPG-INIZCTEOSA-N 1 0 319.449 2.490 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1snnc1C(C)(C)C ZINC000191955808 276365784 /nfs/dbraw/zinc/36/57/84/276365784.db2.gz HIASYVHFMOYJSI-NSHDSACASA-N 1 0 310.467 2.440 10 0 DEAERO CCS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000131001858 276393692 /nfs/dbraw/zinc/39/36/92/276393692.db2.gz OFPMCONJTJPBPA-MAZHCROVSA-N 1 0 308.447 2.044 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCc3sccc32)CCO1 ZINC000136621918 276797795 /nfs/dbraw/zinc/79/77/95/276797795.db2.gz HBUFQKFJUOQOCD-OCCSQVGLSA-N 1 0 323.462 2.098 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000171582809 276828915 /nfs/dbraw/zinc/82/89/15/276828915.db2.gz GKXPWZUXYFRYJX-UKRRQHHQSA-N 1 0 303.406 2.246 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)C(F)(F)C2(O)CCC2)[C@H]1c1ccccc1 ZINC000252736626 277136012 /nfs/dbraw/zinc/13/60/12/277136012.db2.gz YUAIVHNVNZIXHU-ZIAGYGMSSA-N 1 0 324.371 2.098 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCOC2)[C@@H]1c1ccccc1 ZINC000179130340 277166965 /nfs/dbraw/zinc/16/69/65/277166965.db2.gz VCGXVHBHVCZELA-XIRDDKMYSA-N 1 0 317.433 2.158 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2cncc(Cl)n2)[C@@H]1c1ccccc1 ZINC000192375071 277169702 /nfs/dbraw/zinc/16/97/02/277169702.db2.gz CYUIJAPOPVLYPT-WFASDCNBSA-N 1 0 316.792 2.305 10 0 DEAERO CO[C@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[C@@H]1C ZINC000187272413 277343360 /nfs/dbraw/zinc/34/33/60/277343360.db2.gz CZOBSLVZVIKUBO-JSGCOSHPSA-N 1 0 311.470 2.362 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185806973 277486023 /nfs/dbraw/zinc/48/60/23/277486023.db2.gz OLZMHIWDLPFDIT-OAHLLOKOSA-N 1 0 313.486 2.157 10 0 DEAERO CC(C)S(=O)(=O)CCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128775072 277707492 /nfs/dbraw/zinc/70/74/92/277707492.db2.gz PQXAEVLQTJONBX-LSDHHAIUSA-N 1 0 313.467 2.170 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)c2ccccc21 ZINC000188975360 277796314 /nfs/dbraw/zinc/79/63/14/277796314.db2.gz ACZZTWJZYQZARC-ABAIWWIYSA-N 1 0 310.401 2.424 10 0 DEAERO CSc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828869 278174139 /nfs/dbraw/zinc/17/41/39/278174139.db2.gz YPUIRLQCMSJCFK-CYBMUJFWSA-N 1 0 314.476 2.156 10 0 DEAERO CC(C)(C)NC(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229692 278357960 /nfs/dbraw/zinc/35/79/60/278357960.db2.gz BBAOBAHQVQTVKI-INIZCTEOSA-N 1 0 309.498 2.489 10 0 DEAERO CCOC[C@@H](NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C(C)C ZINC000190125197 279729306 /nfs/dbraw/zinc/72/93/06/279729306.db2.gz ZNXRTEODROWGAC-LSDHHAIUSA-N 1 0 301.475 2.323 10 0 DEAERO C[C@H]1C[C@H]([NH2+]C2CCC(C(N)=O)CC2)CN1Cc1ccccc1 ZINC000303491658 280008648 /nfs/dbraw/zinc/00/86/48/280008648.db2.gz ZUCUZIRIKWIBPH-KUQKPQIMSA-N 1 0 315.461 2.283 10 0 DEAERO Cc1c(NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cccc1N(C)C ZINC000455073368 280244154 /nfs/dbraw/zinc/24/41/54/280244154.db2.gz MJFZFYIIKZGEPL-XJKSGUPXSA-N 1 0 302.422 2.229 10 0 DEAERO CC[C@H](C(=O)NCC[C@@H]1COc2ccccc2O1)[NH+](CC)CC ZINC000361914979 280676335 /nfs/dbraw/zinc/67/63/35/280676335.db2.gz GNDOUQPODHUWPS-HUUCEWRRSA-N 1 0 320.433 2.453 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1CCC2(CC1)OCCO2 ZINC000188451503 288300894 /nfs/dbraw/zinc/30/08/94/288300894.db2.gz VHZOVMZYEDCESX-GDBMZVCRSA-N 1 0 322.449 2.005 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N(C)C)cc1 ZINC000175437111 281192089 /nfs/dbraw/zinc/19/20/89/281192089.db2.gz IRXYQCYTFMZEDP-DOTOQJQBSA-N 1 0 301.434 2.451 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(N2CCCC2)nc1 ZINC000245771287 288314003 /nfs/dbraw/zinc/31/40/03/288314003.db2.gz RUFZCIKUAMSCRG-WBVHZDCISA-N 1 0 300.450 2.350 10 0 DEAERO CC[C@]1(C)CCCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000073676321 281545220 /nfs/dbraw/zinc/54/52/20/281545220.db2.gz USPXLXGGDWCUAU-QGZVFWFLSA-N 1 0 311.470 2.321 10 0 DEAERO CCC(CC)[C@@H](CNc1cncc(OCCO)n1)[NH+]1CCCC1 ZINC000131181186 281957886 /nfs/dbraw/zinc/95/78/86/281957886.db2.gz VHAMCUOCZIZTOM-OAHLLOKOSA-N 1 0 322.453 2.160 10 0 DEAERO C[NH+]1CCN(c2cc(C(=O)NCCC3=CCCC3)ccn2)CC1 ZINC000131678601 281969926 /nfs/dbraw/zinc/96/99/26/281969926.db2.gz KCZYWGVCWRNICZ-UHFFFAOYSA-N 1 0 314.433 2.064 10 0 DEAERO C[C@H]([NH2+]CCC(=O)N1CCOCC1)c1ccc(Cl)s1 ZINC000135133242 282062829 /nfs/dbraw/zinc/06/28/29/282062829.db2.gz QGSANKVEDDCTMT-JTQLQIEISA-N 1 0 302.827 2.301 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])s1 ZINC000020182143 288542035 /nfs/dbraw/zinc/54/20/35/288542035.db2.gz ANHHGGPKDHCFGR-LLVKDONJSA-N 1 0 302.465 2.203 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000253276276 288869618 /nfs/dbraw/zinc/86/96/18/288869618.db2.gz JSVZSLOPWSWHTG-CWRNSKLLSA-N 1 0 302.418 2.321 10 0 DEAERO C[C@@H]1c2ccccc2O[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000117748516 289086410 /nfs/dbraw/zinc/08/64/10/289086410.db2.gz DRKHUOHUTAFTIJ-SJKOYZFVSA-N 1 0 300.402 2.294 10 0 DEAERO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246591391 289328524 /nfs/dbraw/zinc/32/85/24/289328524.db2.gz SYNKJSKGNXGTAR-INMHGKMJSA-N 1 0 313.445 2.133 10 0 DEAERO C[C@H](C[NH3+])C(=O)/N=c1/sccn1Cc1ccccc1Cl ZINC000262479231 289527415 /nfs/dbraw/zinc/52/74/15/289527415.db2.gz ZINBEMOKDFQDME-SBGIHMHXSA-N 1 0 309.822 2.273 10 0 DEAERO C[C@H]([NH3+])C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000132613956 289764840 /nfs/dbraw/zinc/76/48/40/289764840.db2.gz GAMXUHXJFSKTDR-ITOAGHBLSA-N 1 0 306.435 2.292 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCO)[C@@H]1c1ccccc1 ZINC000247977837 290139509 /nfs/dbraw/zinc/13/95/09/290139509.db2.gz GUDWFADEPIGBNV-CVEARBPZSA-N 1 0 319.449 2.140 10 0 DEAERO C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329033152 290340061 /nfs/dbraw/zinc/34/00/61/290340061.db2.gz QJCBNYFQQAAWFF-VPWBDBDCSA-N 1 0 304.438 2.106 10 0 DEAERO Cc1csc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)n1 ZINC000129106489 293041834 /nfs/dbraw/zinc/04/18/34/293041834.db2.gz WPIXXQCZULNZCP-STQMWFEESA-N 1 0 319.434 2.360 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000261735174 295271121 /nfs/dbraw/zinc/27/11/21/295271121.db2.gz LGNQIIZAVPBUDB-NVXWUHKLSA-N 1 0 312.417 2.314 10 0 DEAERO COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000247318425 295317489 /nfs/dbraw/zinc/31/74/89/295317489.db2.gz HXBVHSTYPKDPKY-PVAVHDDUSA-N 1 0 302.418 2.351 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)N1CCCC[C@@H]1c1nccs1 ZINC000133672666 295539231 /nfs/dbraw/zinc/53/92/31/295539231.db2.gz SFKCUYCZRFWSEA-VXGBXAGGSA-N 1 0 311.476 2.292 10 0 DEAERO CSCC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000193952717 295585988 /nfs/dbraw/zinc/58/59/88/295585988.db2.gz RSWCJFCOROQDPT-CQSZACIVSA-N 1 0 320.458 2.454 10 0 DEAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000262107348 299031098 /nfs/dbraw/zinc/03/10/98/299031098.db2.gz JLBUVPHHMQKWRW-ORVZXPRGSA-N 1 0 306.450 2.215 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000423684087 300674089 /nfs/dbraw/zinc/67/40/89/300674089.db2.gz ULWUOBMDUHLKFE-WFASDCNBSA-N 1 0 322.836 2.336 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000120257303 301246422 /nfs/dbraw/zinc/24/64/22/301246422.db2.gz MBRKGYSREXVDFV-DOTOQJQBSA-N 1 0 314.433 2.480 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCC[NH2+]CC2)cc1 ZINC000262484162 301770879 /nfs/dbraw/zinc/77/08/79/301770879.db2.gz WGIJBHIWRUQAID-SJORKVTESA-N 1 0 302.418 2.285 10 0 DEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194111675 302678451 /nfs/dbraw/zinc/67/84/51/302678451.db2.gz ZZDWNYZLTYTCLZ-KBUPBQIOSA-N 1 0 302.422 2.359 10 0 DEAERO O=C(NC1CCC2(CCOCC2)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261980896 303739041 /nfs/dbraw/zinc/73/90/41/303739041.db2.gz WGELZHPUHPRDSN-OAHLLOKOSA-N 1 0 306.450 2.232 10 0 DEAERO c1ccc([C@H]([NH2+]CCCN2CCOCC2)[C@@H]2CCOC2)cc1 ZINC000341878081 304856116 /nfs/dbraw/zinc/85/61/16/304856116.db2.gz QJAXHRHWHLDARB-MSOLQXFVSA-N 1 0 304.434 2.076 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000167083364 325712367 /nfs/dbraw/zinc/71/23/67/325712367.db2.gz BBGQJMHMMBKAOG-SCVCMEIPSA-N 1 0 322.232 2.340 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000175855691 325746213 /nfs/dbraw/zinc/74/62/13/325746213.db2.gz LLJHONYMZVYTNN-OAHLLOKOSA-N 1 0 317.813 2.234 10 0 DEAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000574103516 326123579 /nfs/dbraw/zinc/12/35/79/326123579.db2.gz OZGKOXLLYUXMOS-NJAFHUGGSA-N 1 0 323.408 2.172 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)c2ccccc2C1 ZINC000575371645 326236474 /nfs/dbraw/zinc/23/64/74/326236474.db2.gz UGAJMPCJDKWPHN-WBVHZDCISA-N 1 0 324.428 2.350 10 0 DEAERO C[C@H](NC(=O)Nc1nncs1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185941332 332275089 /nfs/dbraw/zinc/27/50/89/332275089.db2.gz BNKOWGYJZCOASR-JQWIXIFHSA-N 1 0 305.407 2.351 10 0 DEAERO COc1ccc(O)cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000188499719 333047297 /nfs/dbraw/zinc/04/72/97/333047297.db2.gz QNQAXOUWLPHXLP-UHFFFAOYSA-N 1 0 304.390 2.005 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)NCCCc1c(C)nn(C)c1C ZINC000181097234 333167450 /nfs/dbraw/zinc/16/74/50/333167450.db2.gz GQUPSIMUBKKOKX-UHFFFAOYSA-N 1 0 323.485 2.001 10 0 DEAERO COC[C@@H](C)C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000189660256 333217996 /nfs/dbraw/zinc/21/79/96/333217996.db2.gz KUXLRCCOQCJDMV-AWEZNQCLSA-N 1 0 324.852 2.309 10 0 DEAERO Cc1nc(CC(C)C)oc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000190270633 336262115 /nfs/dbraw/zinc/26/21/15/336262115.db2.gz MGOVYZWQUCZJIG-CQSZACIVSA-N 1 0 305.422 2.492 10 0 DEAERO Cc1ccc(Br)c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000389700277 336885295 /nfs/dbraw/zinc/88/52/95/336885295.db2.gz IFBAFPAIZFFDFC-ZWNOBZJWSA-N 1 0 311.223 2.485 10 0 DEAERO CCc1c(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cnn1CC(C)C ZINC000583019254 337225440 /nfs/dbraw/zinc/22/54/40/337225440.db2.gz CLFGUCJXVLVWMW-CQSZACIVSA-N 1 0 306.454 2.316 10 0 DEAERO [NH3+][C@H]1COc2cc(NC(=O)c3ccc(F)c(F)c3)ccc2C1 ZINC000584592332 337373581 /nfs/dbraw/zinc/37/35/81/337373581.db2.gz AEVYBPWVWSQLCQ-LLVKDONJSA-N 1 0 304.296 2.479 10 0 DEAERO O=C1N(c2sncc2Br)CCC12CC[NH2+]CC2 ZINC000584624206 337375274 /nfs/dbraw/zinc/37/52/74/337375274.db2.gz HQYAQXFBWACPBK-UHFFFAOYSA-N 1 0 316.224 2.012 10 0 DEAERO CC/C=C/CCOC[C@H](O)C[NH2+]CCOc1ccccc1OC ZINC000584627944 337376255 /nfs/dbraw/zinc/37/62/55/337376255.db2.gz XTAYPQWLULFLFP-DWTRPJMMSA-N 1 0 323.433 2.397 10 0 DEAERO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000580408966 337399390 /nfs/dbraw/zinc/39/93/90/337399390.db2.gz SGDBBYDVOQZBDX-HZPDHXFCSA-N 1 0 314.495 2.216 10 0 DEAERO COc1ccccc1CC1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000237142576 500862695 /nfs/dbraw/zinc/86/26/95/500862695.db2.gz IGNAGBWDXBCYMG-UHFFFAOYSA-N 1 0 316.445 2.476 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000187954696 533771679 /nfs/dbraw/zinc/77/16/79/533771679.db2.gz RVPKWBAXLPJOEN-GUYCJALGSA-N 1 0 324.852 2.439 10 0 DEAERO CCN(CCC[NH+](CC)CC)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000188251091 535505444 /nfs/dbraw/zinc/50/54/44/535505444.db2.gz MVLNZKNMYQJQFL-HNNXBMFYSA-N 1 0 319.515 2.017 10 0 DEAERO COc1cccc2c1CC[C@@H]([NH2+]Cc1cc(C(N)=O)co1)C2 ZINC000192448246 533862481 /nfs/dbraw/zinc/86/24/81/533862481.db2.gz DVRGZZIEBDUNKE-CYBMUJFWSA-N 1 0 300.358 2.034 10 0 DEAERO C[C@H]1COCC[C@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000193989722 534040980 /nfs/dbraw/zinc/04/09/80/534040980.db2.gz FLCWRSQHHRGETE-MAUKXSAKSA-N 1 0 316.445 2.224 10 0 DEAERO C[C@@H](c1ccc(F)cc1)[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000299752866 534062596 /nfs/dbraw/zinc/06/25/96/534062596.db2.gz VUJYHEAMPUMBJI-YVEFUNNKSA-N 1 0 320.408 2.238 10 0 DEAERO CCOCCOc1ccccc1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000159034690 520041878 /nfs/dbraw/zinc/04/18/78/520041878.db2.gz SOHCJWILWZTHNU-OAHLLOKOSA-N 1 0 320.433 2.174 10 0 DEAERO CCCC[N@H+](C)CC1CCN(C(=O)NCC2(C)COC2)CC1 ZINC000112753604 520398421 /nfs/dbraw/zinc/39/84/21/520398421.db2.gz GFFFYBQIDCIJSU-UHFFFAOYSA-N 1 0 311.470 2.176 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)Cc2cc(C)n[nH]2)C12CCOCC2 ZINC000248982003 520436221 /nfs/dbraw/zinc/43/62/21/520436221.db2.gz JDBBOCSJIHOJCB-UHOFOFEASA-N 1 0 307.438 2.213 10 0 DEAERO CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000111867809 521364277 /nfs/dbraw/zinc/36/42/77/521364277.db2.gz KIGBMEZZYVCDDK-QGZVFWFLSA-N 1 0 319.449 2.329 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2nnc(C(C)C)o2)[C@@H](C)C1 ZINC000245422566 521711359 /nfs/dbraw/zinc/71/13/59/521711359.db2.gz AAJJFVYTZDXDBD-UONOGXRCSA-N 1 0 322.453 2.314 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2c(C)noc2C)[C@@H](C)C1 ZINC000246301762 521712075 /nfs/dbraw/zinc/71/20/75/521712075.db2.gz AMPOBWBJYXCMJH-BLLLJJGKSA-N 1 0 322.453 2.206 10 0 DEAERO CC[N@@H+]1CC[C@H]2OCCN(CCc3ccc(F)c(F)c3)[C@H]2C1 ZINC000339385519 521722605 /nfs/dbraw/zinc/72/26/05/521722605.db2.gz QLCLKJMTTJHKAC-DLBZAZTESA-N 1 0 310.388 2.302 10 0 DEAERO COc1cc(/C=C/C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc(OC)c1 ZINC000156827690 521924657 /nfs/dbraw/zinc/92/46/57/521924657.db2.gz MYJFPQUOCVESBH-IRVACUKQSA-N 1 0 318.417 2.303 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)CC1 ZINC000237153793 521951615 /nfs/dbraw/zinc/95/16/15/521951615.db2.gz WXNFXLDZSIHIHF-LRDDRELGSA-N 1 0 315.417 2.105 10 0 DEAERO CCc1nc(CNC(=O)NCC[NH+]2CCC(C)CC2)cs1 ZINC000107736114 522332435 /nfs/dbraw/zinc/33/24/35/522332435.db2.gz GXFHYYJZIGUDEN-UHFFFAOYSA-N 1 0 310.467 2.237 10 0 DEAERO CC[C@@H](COC)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000157254732 522595353 /nfs/dbraw/zinc/59/53/53/522595353.db2.gz NNGSWJWKMPDMAG-LZWOXQAQSA-N 1 0 307.438 2.210 10 0 DEAERO C[N@H+](CCC(=O)N1CCOCC1)Cc1ccc(F)cc1Cl ZINC000107063547 522679593 /nfs/dbraw/zinc/67/95/93/522679593.db2.gz KNKSVUDWCLBPSM-UHFFFAOYSA-N 1 0 314.788 2.160 10 0 DEAERO COC(=O)CCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000130877397 522963645 /nfs/dbraw/zinc/96/36/45/522963645.db2.gz PPDIKMFBPKCZPU-UHFFFAOYSA-N 1 0 318.417 2.242 10 0 DEAERO CC[C@H]1CN(CCOc2ccc(OC)cc2)CC[N@@H+]1CCOC ZINC000105835868 523280480 /nfs/dbraw/zinc/28/04/80/523280480.db2.gz QIUALYQYRDEYRI-INIZCTEOSA-N 1 0 322.449 2.117 10 0 DEAERO Cc1cccc(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247052428 524265922 /nfs/dbraw/zinc/26/59/22/524265922.db2.gz OZPWEQMDPHXRSU-GJZGRUSLSA-N 1 0 317.433 2.183 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000359951173 534792877 /nfs/dbraw/zinc/79/28/77/534792877.db2.gz YFPVBJNGIDGYRO-ZDUSSCGKSA-N 1 0 321.490 2.052 10 0 DEAERO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(-n3ccnc3)cs2)C1 ZINC000346186344 534807597 /nfs/dbraw/zinc/80/75/97/534807597.db2.gz YPMHRMVBDKSXMT-AWEZNQCLSA-N 1 0 318.446 2.234 10 0 DEAERO C[C@H]1C[C@@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000111599432 524847312 /nfs/dbraw/zinc/84/73/12/524847312.db2.gz OSMNNRZUMINHGL-RDJZCZTQSA-N 1 0 301.434 2.113 10 0 DEAERO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CCO1 ZINC000328655428 534815398 /nfs/dbraw/zinc/81/53/98/534815398.db2.gz YKHXFAKGCOLNCY-DEDQRHPVSA-N 1 0 305.422 2.043 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC000374342137 534880442 /nfs/dbraw/zinc/88/04/42/534880442.db2.gz RWYATBUZBOPNJR-UHFFFAOYSA-N 1 0 314.429 2.158 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)c1 ZINC000162117354 526263666 /nfs/dbraw/zinc/26/36/66/526263666.db2.gz LTRQLGMMNXKWGP-HNNXBMFYSA-N 1 0 316.380 2.116 10 0 DEAERO COC(=O)[C@@H]1CC12CC[NH+](Cc1cccc3c1NCC3)CC2 ZINC000261927515 536461141 /nfs/dbraw/zinc/46/11/41/536461141.db2.gz LBXPJQQRDYYQRY-HNNXBMFYSA-N 1 0 300.402 2.430 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])s1 ZINC000261795546 536504087 /nfs/dbraw/zinc/50/40/87/536504087.db2.gz MGONVJRYTKOJIE-JLLWLGSASA-N 1 0 311.451 2.358 10 0 DEAERO CC(C)(CC1CCCCCC1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000190027055 526984156 /nfs/dbraw/zinc/98/41/56/526984156.db2.gz IKCVAKYGMKSMDJ-QGZVFWFLSA-N 1 0 312.498 2.408 10 0 DEAERO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000444777438 527126703 /nfs/dbraw/zinc/12/67/03/527126703.db2.gz FRZRMVHCIPSBFM-QGZVFWFLSA-N 1 0 314.429 2.321 10 0 DEAERO CC(=O)[C@](C)(O)C[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000331313853 527152115 /nfs/dbraw/zinc/15/21/15/527152115.db2.gz IHPRTXJVAWVETO-GOSISDBHSA-N 1 0 303.402 2.230 10 0 DEAERO CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000330818210 527154179 /nfs/dbraw/zinc/15/41/79/527154179.db2.gz CVJBXGQISMUPCI-WMLDXEAASA-N 1 0 307.365 2.060 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1cccc(Cl)c1F ZINC000131757683 527651553 /nfs/dbraw/zinc/65/15/53/527651553.db2.gz DFUJTOPEYPJTRZ-UHFFFAOYSA-N 1 0 314.788 2.321 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000189137727 528502515 /nfs/dbraw/zinc/50/25/15/528502515.db2.gz REHVKTVIBZONML-CYBMUJFWSA-N 1 0 320.405 2.219 10 0 DEAERO CC(C)c1noc([C@@H](C)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)n1 ZINC000328820259 528507947 /nfs/dbraw/zinc/50/79/47/528507947.db2.gz FEFHJTKUKMJCCQ-UONOGXRCSA-N 1 0 322.453 2.439 10 0 DEAERO CCCCn1ncc(NC(=O)NC[C@H]2CC[N@H+](CC)C2)c1C ZINC000448295661 529108367 /nfs/dbraw/zinc/10/83/67/529108367.db2.gz COXQYRPDLWSEBN-CQSZACIVSA-N 1 0 307.442 2.455 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccncc1OC ZINC000189801782 529342291 /nfs/dbraw/zinc/34/22/91/529342291.db2.gz DZGPLDBXLYHNLA-OLZOCXBDSA-N 1 0 308.426 2.181 10 0 DEAERO CC(=O)c1ccccc1OCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247059037 534927613 /nfs/dbraw/zinc/92/76/13/534927613.db2.gz HGDGBSHEGUKFJG-HOCLYGCPSA-N 1 0 302.418 2.437 10 0 DEAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000358131347 535014219 /nfs/dbraw/zinc/01/42/19/535014219.db2.gz GFCHRXJTBGBUPS-GFCCVEGCSA-N 1 0 303.410 2.091 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000246659318 535080293 /nfs/dbraw/zinc/08/02/93/535080293.db2.gz KQNDLGGGXGHLMX-FPCVCCKLSA-N 1 0 323.481 2.220 10 0 DEAERO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262441052 535291432 /nfs/dbraw/zinc/29/14/32/535291432.db2.gz AXHLZTMBSHCPBI-MTSZKFMLSA-N 1 0 308.466 2.475 10 0 DEAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000359747044 535301083 /nfs/dbraw/zinc/30/10/83/535301083.db2.gz WROWRICRKVMPFL-CYBMUJFWSA-N 1 0 322.453 2.057 10 0 DEAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000358428506 535304989 /nfs/dbraw/zinc/30/49/89/535304989.db2.gz WOZRIUGJVCZYGM-CQSZACIVSA-N 1 0 321.469 2.419 10 0 DEAERO CC(C)c1cc(C(=O)N(CC[NH3+])CCc2ccccc2)[nH]n1 ZINC000261839639 535346358 /nfs/dbraw/zinc/34/63/58/535346358.db2.gz ZWTSBXQQQDMVAO-UHFFFAOYSA-N 1 0 300.406 2.177 10 0 DEAERO CC1(C)CN(C(=O)c2coc(Br)c2)CC[C@H]1[NH3+] ZINC000262134963 535351768 /nfs/dbraw/zinc/35/17/68/535351768.db2.gz WVDHHOGHRWPBQQ-SECBINFHSA-N 1 0 301.184 2.242 10 0 DEAERO CC1(C)CN(CC(=O)Nc2ccc3c(c2)CCC3)CC[C@@H]1[NH3+] ZINC000262563616 535354006 /nfs/dbraw/zinc/35/40/06/535354006.db2.gz WEEPUUXDJFQEIN-INIZCTEOSA-N 1 0 301.434 2.173 10 0 DEAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261858787 535425302 /nfs/dbraw/zinc/42/53/02/535425302.db2.gz SBQDYCYSSZMZEJ-SOUVJXGZSA-N 1 0 308.809 2.238 10 0 DEAERO CCC[C@@H]1CN(C(=O)c2c[nH]nc2C(C)C)CC[N@@H+]1CCOC ZINC000189549416 535435589 /nfs/dbraw/zinc/43/55/89/535435589.db2.gz FJEZIMQQRFHICR-CQSZACIVSA-N 1 0 322.453 2.106 10 0 DEAERO CCOc1ccccc1/C=C/c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263158282 535485261 /nfs/dbraw/zinc/48/52/61/535485261.db2.gz DPLOXZAIVPQMGX-VFNNOXKTSA-N 1 0 314.389 2.215 10 0 DEAERO CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CCC1 ZINC000262019313 535488364 /nfs/dbraw/zinc/48/83/64/535488364.db2.gz WLGMLZUXDNTTEY-ZACQAIPSSA-N 1 0 310.482 2.330 10 0 DEAERO CC[C@@H]1CN(C(=O)C[C@@H](C)c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000246982493 535832391 /nfs/dbraw/zinc/83/23/91/535832391.db2.gz UQPIDZRTFGVZRC-SOLBZPMBSA-N 1 0 318.461 2.484 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000247659055 535836641 /nfs/dbraw/zinc/83/66/41/535836641.db2.gz ZHZVFVCZQBGDNB-UAGQMJEPSA-N 1 0 304.434 2.185 10 0 DEAERO CC[C@@H]1CN(Cc2ccc(OC)c(F)c2)CC[N@@H+]1C[C@H](C)O ZINC000246925927 535864648 /nfs/dbraw/zinc/86/46/48/535864648.db2.gz AOZAPRVCUUATBY-DZGCQCFKSA-N 1 0 310.413 2.111 10 0 DEAERO CCn1nnc(C)c1C[NH2+]CCCc1ccc(OC)c(OC)c1 ZINC000449103369 535914661 /nfs/dbraw/zinc/91/46/61/535914661.db2.gz PWGBHWZTHJZEPB-UHFFFAOYSA-N 1 0 318.421 2.346 10 0 DEAERO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000246907759 535999056 /nfs/dbraw/zinc/99/90/56/535999056.db2.gz FCXHLYQLBTZUCX-BBWFWOEESA-N 1 0 302.418 2.436 10 0 DEAERO C[NH+]1CCC(CC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000362855067 536335464 /nfs/dbraw/zinc/33/54/64/536335464.db2.gz XYJAKZBJQZFZKR-UHFFFAOYSA-N 1 0 324.465 2.299 10 0 DEAERO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000248589524 536365354 /nfs/dbraw/zinc/36/53/54/536365354.db2.gz XWPQMWIPMODHRM-KSZLIROESA-N 1 0 313.445 2.308 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn(-c4ccccc4)c3)CC[C@H]21 ZINC000248201769 536380045 /nfs/dbraw/zinc/38/00/45/536380045.db2.gz YYFMERUZRPTMCZ-CRAIPNDOSA-N 1 0 324.428 2.429 10 0 DEAERO COCCCOc1cccc(C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000173624336 536621839 /nfs/dbraw/zinc/62/18/39/536621839.db2.gz WPQGRZZMLJAFRO-UHFFFAOYSA-N 1 0 320.433 2.268 10 0 DEAERO COc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261881374 536653402 /nfs/dbraw/zinc/65/34/02/536653402.db2.gz FIEMAQJKRRKYLU-BBWFWOEESA-N 1 0 304.434 2.250 10 0 DEAERO COc1cc(C2(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)ccc1C ZINC000449714553 536719677 /nfs/dbraw/zinc/71/96/77/536719677.db2.gz HCUSUYLZIXWNFL-UKRRQHHQSA-N 1 0 302.418 2.279 10 0 DEAERO COc1ccc(NC(=O)[C@@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261871282 536801028 /nfs/dbraw/zinc/80/10/28/536801028.db2.gz SYLJTESCAGWRSA-DOMZBBRYSA-N 1 0 305.422 2.081 10 0 DEAERO COc1cc(C[NH2+][C@@H](C)C[C@H](C)O)cc(Br)c1O ZINC000228072414 536805987 /nfs/dbraw/zinc/80/59/87/536805987.db2.gz CDEPNDRAJFDWMU-IUCAKERBSA-N 1 0 318.211 2.412 10 0 DEAERO CCN1CC[NH+]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000685952294 568422155 /nfs/dbraw/zinc/42/21/55/568422155.db2.gz DDRRFSIGISUUOZ-OAHLLOKOSA-N 1 0 311.470 2.414 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)N1CCOCC1 ZINC000185270405 625364585 /nfs/dbraw/zinc/36/45/85/625364585.db2.gz QZOXFCINCSKBLY-NSHDSACASA-N 1 0 313.785 2.059 10 0 DEAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)C[C@@H]([NH3+])C2CCCCC2)C1 ZINC000757153676 623202627 /nfs/dbraw/zinc/20/26/27/623202627.db2.gz PURVNRRVGWUTAE-VNHYZAJKSA-N 1 0 302.484 2.202 10 0 DEAERO CON(C)C(=O)CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000806625456 623229637 /nfs/dbraw/zinc/22/96/37/623229637.db2.gz GHQBPFYGDCWZOT-QGZVFWFLSA-N 1 0 322.405 2.154 10 0 DEAERO CC1(C)[NH2+]CC[C@H]1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000307877237 624087138 /nfs/dbraw/zinc/08/71/38/624087138.db2.gz OOLYDRFLMVLTPX-AORWBKJGSA-N 1 0 314.838 2.371 10 0 DEAERO O=C(c1coc(Br)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261907315 624152429 /nfs/dbraw/zinc/15/24/29/624152429.db2.gz XCMLIASUPUEFQM-UHFFFAOYSA-N 1 0 313.195 2.258 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@@H](O)C1 ZINC000114082919 624910890 /nfs/dbraw/zinc/91/08/90/624910890.db2.gz ZDIVZXZUIPLHNP-CABCVRRESA-N 1 0 306.406 2.147 10 0 DEAERO [NH3+]C[C@@H]1CCO[C@@H]1c1nc(Cc2cccc(Cl)c2F)no1 ZINC000888078525 625059190 /nfs/dbraw/zinc/05/91/90/625059190.db2.gz ZFZWPRHCKFAHEA-ZANVPECISA-N 1 0 311.744 2.489 10 0 DEAERO Cc1nc(C[C@@H]2CCCN(CN3C(=O)C(C)(C)C3(C)C)C2)no1 ZINC000177686594 625060369 /nfs/dbraw/zinc/06/03/69/625060369.db2.gz BZHUHWXZMSDVTA-ZDUSSCGKSA-N 1 0 320.437 2.237 10 0 DEAERO O=S(=O)(NCc1cccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000052063996 625101498 /nfs/dbraw/zinc/10/14/98/625101498.db2.gz BKTKGANIEQWBAF-OAHLLOKOSA-N 1 0 304.415 2.011 10 0 DEAERO COCC[C@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000052808269 625105703 /nfs/dbraw/zinc/10/57/03/625105703.db2.gz YUMJNRNIKOXSPR-LBPRGKRZSA-N 1 0 305.205 2.316 10 0 DEAERO CS(=O)(=O)c1ccccc1NCc1ccc(CC[NH3+])cc1 ZINC000052899368 625119521 /nfs/dbraw/zinc/11/95/21/625119521.db2.gz KWKWGVQDAJOBOX-UHFFFAOYSA-N 1 0 304.415 2.203 10 0 DEAERO CC(C)[C@@H](C(=O)OC[C@H]1CC(=O)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000162813580 625215948 /nfs/dbraw/zinc/21/59/48/625215948.db2.gz JZDQUZGNGIACES-YOEHRIQHSA-N 1 0 322.449 2.051 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000195303697 625786022 /nfs/dbraw/zinc/78/60/22/625786022.db2.gz QWEBWZJYMXNMDZ-ZIFCJYIRSA-N 1 0 320.477 2.378 10 0 DEAERO O=C(OCCN1CCSCC1)c1ccccc1OC(F)F ZINC000177172687 625869128 /nfs/dbraw/zinc/86/91/28/625869128.db2.gz DFKZPZPEFZDDMD-UHFFFAOYSA-N 1 0 317.357 2.494 10 0 DEAERO COC(=O)c1ccc2c(cnn2C[N@@H+]2CCCOC(C)(C)C2)c1 ZINC000735298998 633495978 /nfs/dbraw/zinc/49/59/78/633495978.db2.gz XWMIIUWPMPWFCL-UHFFFAOYSA-N 1 0 317.389 2.281 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1 ZINC000121453178 650116791 /nfs/dbraw/zinc/11/67/91/650116791.db2.gz ZDWUNGVECSERSD-GOSISDBHSA-N 1 0 316.445 2.281 10 0 DEAERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)C(C)C ZINC000186339707 634147676 /nfs/dbraw/zinc/14/76/76/634147676.db2.gz PJVPZMLYIYFFOZ-ACCUITESSA-N 1 0 305.378 2.455 10 0 DEAERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000178518712 635161039 /nfs/dbraw/zinc/16/10/39/635161039.db2.gz MDINVPGACXPEBD-RHSMWYFYSA-N 1 0 304.434 2.119 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000178561414 635790402 /nfs/dbraw/zinc/79/04/02/635790402.db2.gz WRCUHDYTYCQZBS-YOEHRIQHSA-N 1 0 304.434 2.383 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)CCCn2ccnc2C)CC1 ZINC000742098295 638035510 /nfs/dbraw/zinc/03/55/10/638035510.db2.gz IWFCXFPZMVSUMB-UHFFFAOYSA-N 1 0 306.454 2.210 10 0 DEAERO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C/C=C(\C)C(=O)OC)C1 ZINC000746503943 638350245 /nfs/dbraw/zinc/35/02/45/638350245.db2.gz QEJLPONOQLJZBM-WMHHWXMBSA-N 1 0 310.438 2.123 10 0 DEAERO CC[N@H+](C/C=C(\C)C(=O)OC)C[C@H]1COc2ccccc2O1 ZINC000746500583 638350551 /nfs/dbraw/zinc/35/05/51/638350551.db2.gz XVFIPRQCBYDTMJ-SSUFTNFISA-N 1 0 305.374 2.268 10 0 DEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1F ZINC000142933796 638445663 /nfs/dbraw/zinc/44/56/63/638445663.db2.gz ALBCPWROCXNXLS-QWRGUYRKSA-N 1 0 316.170 2.454 10 0 DEAERO COC(=O)/C(C)=C/C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000748817048 638595354 /nfs/dbraw/zinc/59/53/54/638595354.db2.gz XUJQJKZCVPOKQN-ULIPXBITSA-N 1 0 322.449 2.076 10 0 DEAERO COC(=O)/C(C)=C\C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000752344587 639173687 /nfs/dbraw/zinc/17/36/87/639173687.db2.gz GCUMJUGHKMSVCN-XYMPBJBSSA-N 1 0 303.402 2.439 10 0 DEAERO COc1cc(C[NH2+][C@H](C)[C@@H](C)O)cc(Br)c1O ZINC000342244795 639500717 /nfs/dbraw/zinc/50/07/17/639500717.db2.gz YOMMXKSKSHHBHJ-HTQZYQBOSA-N 1 0 304.184 2.022 10 0 DEAERO Cc1c(C(=O)N(C)[C@H](C)C[NH3+])cnn1-c1ccccc1Cl ZINC000179191251 640579325 /nfs/dbraw/zinc/57/93/25/640579325.db2.gz CVGIPOBKAULCBQ-SNVBAGLBSA-N 1 0 306.797 2.253 10 0 DEAERO Cc1c(C(=O)N(C)[C@@H](C)C[NH3+])cnn1-c1ccccc1Cl ZINC000179191236 640579476 /nfs/dbraw/zinc/57/94/76/640579476.db2.gz CVGIPOBKAULCBQ-JTQLQIEISA-N 1 0 306.797 2.253 10 0 DEAERO CCON1CCC([NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000323532300 642057617 /nfs/dbraw/zinc/05/76/17/642057617.db2.gz XIZBBEXUTYHHGF-QWHCGFSZSA-N 1 0 315.458 2.294 10 0 DEAERO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000800739601 645301584 /nfs/dbraw/zinc/30/15/84/645301584.db2.gz QYZHIYRQTPVHFE-MLGOLLRUSA-N 1 0 321.852 2.400 10 0 DEAERO CC(=O)c1ccc(CC(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000802132804 645484004 /nfs/dbraw/zinc/48/40/04/645484004.db2.gz NBFBRTBECGNMML-KRWDZBQOSA-N 1 0 319.401 2.084 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccc(C)cc1 ZINC000804483119 645779357 /nfs/dbraw/zinc/77/93/57/645779357.db2.gz BMCRYDYJIKRZBB-OIISXLGYSA-N 1 0 304.434 2.408 10 0 DEAERO CC(C)(C)OC(=O)N(C[C@H](O)C1CC1)c1ccc(C[NH3+])nc1 ZINC000757132446 645927956 /nfs/dbraw/zinc/92/79/56/645927956.db2.gz BFPCMVJYWBIVIJ-AWEZNQCLSA-N 1 0 307.394 2.053 10 0 DEAERO COc1ccc([C@@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)c(OC)c1 ZINC000757183823 645937907 /nfs/dbraw/zinc/93/79/07/645937907.db2.gz HKWSXIVOHLSSKU-UONOGXRCSA-N 1 0 307.390 2.349 10 0 DEAERO COC(OC)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000229822243 646703208 /nfs/dbraw/zinc/70/32/08/646703208.db2.gz VVXKPQJQPZRHEI-STQMWFEESA-N 1 0 316.442 2.231 10 0 DEAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCCN(C)C1 ZINC000230942140 646753001 /nfs/dbraw/zinc/75/30/01/646753001.db2.gz GNQPHTPJHXAUDI-GJZGRUSLSA-N 1 0 313.486 2.467 10 0 DEAERO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc21 ZINC000172992907 646759243 /nfs/dbraw/zinc/75/92/43/646759243.db2.gz NGCOHRCXGYTACL-INMHGKMJSA-N 1 0 315.461 2.379 10 0 DEAERO Cc1nc(CNC(NCCc2ccccc2)=[NH+]C(C)(C)C)no1 ZINC000088908158 646946320 /nfs/dbraw/zinc/94/63/20/646946320.db2.gz XBYUMHUDNSRKSC-UHFFFAOYSA-N 1 0 315.421 2.454 10 0 DEAERO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1CC(O)C1 ZINC000230946672 646962452 /nfs/dbraw/zinc/96/24/52/646962452.db2.gz FXWUDPGHCZGSHR-ROKHWSDSSA-N 1 0 300.443 2.144 10 0 DEAERO CCCc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)cc1 ZINC000193041120 647024929 /nfs/dbraw/zinc/02/49/29/647024929.db2.gz DLRWPBZIWIRVKR-CQSZACIVSA-N 1 0 319.449 2.424 10 0 DEAERO Cc1ccoc1C[N@@H+]1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818187841 647429482 /nfs/dbraw/zinc/42/94/82/647429482.db2.gz KSBMFLSRMBOCCA-KRWDZBQOSA-N 1 0 317.389 2.418 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)N(C)OC)cc1 ZINC000731436845 647477916 /nfs/dbraw/zinc/47/79/16/647477916.db2.gz MYRVKBNZOPZVQV-OAHLLOKOSA-N 1 0 319.405 2.133 10 0 DEAERO Cn1c2ccccc2nc1NCc1cc(O[C@H]2CC[NH2+]C2)ccn1 ZINC000818629016 647492534 /nfs/dbraw/zinc/49/25/34/647492534.db2.gz SNRHVUOTPZXUSB-HNNXBMFYSA-N 1 0 323.400 2.321 10 0 DEAERO CN(C)c1cc(C(=O)NCC[NH+]2CCCCC2)cc(Cl)n1 ZINC000733130008 647889510 /nfs/dbraw/zinc/88/95/10/647889510.db2.gz AGYIKYICFOZMJE-UHFFFAOYSA-N 1 0 310.829 2.017 10 0 DEAERO CN(C)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)n1 ZINC000733134488 647892065 /nfs/dbraw/zinc/89/20/65/647892065.db2.gz QVCKHEDHCXQTRA-QWHCGFSZSA-N 1 0 322.840 2.158 10 0 DEAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733164550 647894204 /nfs/dbraw/zinc/89/42/04/647894204.db2.gz WYHMABMNFIROQA-LBPRGKRZSA-N 1 0 312.845 2.117 10 0 DEAERO C[C@H]1CN(C(=O)c2nc(Cl)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000089710301 647968002 /nfs/dbraw/zinc/96/80/02/647968002.db2.gz WXDFCBOFLXJFKL-WPRPVWTQSA-N 1 0 302.205 2.411 10 0 DEAERO [NH3+]CCCCCC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000154709392 648075683 /nfs/dbraw/zinc/07/56/83/648075683.db2.gz DPMCZWHZRALSFW-UHFFFAOYSA-N 1 0 317.433 2.339 10 0 DEAERO [NH3+]CCCCCC(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000155015117 648161586 /nfs/dbraw/zinc/16/15/86/648161586.db2.gz LHDLGYFZLFKXIC-UHFFFAOYSA-N 1 0 323.481 2.193 10 0 DEAERO C[NH+]1CCN(c2cc(C(=O)N3CCCCCCC3)ccn2)CC1 ZINC000068316298 648443668 /nfs/dbraw/zinc/44/36/68/648443668.db2.gz ZGNIVIILJCEETC-UHFFFAOYSA-N 1 0 316.449 2.240 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)OC3CCOCC3)cc2)CC1 ZINC000180099311 648458360 /nfs/dbraw/zinc/45/83/60/648458360.db2.gz PWKLTDLITDHLAE-UHFFFAOYSA-N 1 0 318.417 2.164 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)/C=C/c1cncc(O)c1)c1ccccc1 ZINC000181836526 648761531 /nfs/dbraw/zinc/76/15/31/648761531.db2.gz VJEMPFQQXLDYGQ-IJDCCNJMSA-N 1 0 311.385 2.220 10 0 DEAERO COC(=O)[C@H]1CCCN(CN2C[C@H](CC(C)(C)C)CC2=O)C1 ZINC000189140306 648971293 /nfs/dbraw/zinc/97/12/93/648971293.db2.gz VWWFCUKWNBUVJE-KBPBESRZSA-N 1 0 310.438 2.114 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CCC2(C)OCCO2)cc1NC(C)=O ZINC000183888283 649193233 /nfs/dbraw/zinc/19/32/33/649193233.db2.gz ZDOUJMOTWREMFA-LBPRGKRZSA-N 1 0 322.405 2.457 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CC2(CO)CCC2)C1 ZINC000184366700 649260591 /nfs/dbraw/zinc/26/05/91/649260591.db2.gz NIICNSHCZKASHN-CQSZACIVSA-N 1 0 312.454 2.386 10 0 DEAERO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000379501375 685391088 /nfs/dbraw/zinc/39/10/88/685391088.db2.gz WMJLSMHIVYQHST-GJKHTVIGSA-N 1 0 314.838 2.323 10 0 DEAERO CC(C)[C@H]([NH3+])c1cn(Cc2ncccc2Br)nn1 ZINC000381189388 685400472 /nfs/dbraw/zinc/40/04/72/685400472.db2.gz WRIPEGNFOUEAIB-LBPRGKRZSA-N 1 0 310.199 2.140 10 0 DEAERO C[C@H]1CCN(Cc2cnc(N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000382873059 685405243 /nfs/dbraw/zinc/40/52/43/685405243.db2.gz SYEVHVCVSAMEHR-HNNXBMFYSA-N 1 0 311.433 2.155 10 0 DEAERO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(C=O)cn1 ZINC000383150510 685406886 /nfs/dbraw/zinc/40/68/86/685406886.db2.gz IJDVOHONVZYPSZ-MRXNPFEDSA-N 1 0 310.401 2.247 10 0 DEAERO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)C(C)C)ccc1F ZINC000383589572 685408592 /nfs/dbraw/zinc/40/85/92/685408592.db2.gz CIUYDYKRVPWJED-NSHDSACASA-N 1 0 303.399 2.308 10 0 DEAERO c1ccc2c(c1)OC[C@H](CN1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)O2 ZINC000386910555 685419767 /nfs/dbraw/zinc/41/97/67/685419767.db2.gz KEAYNOKUMVGVQU-OWCLPIDISA-N 1 0 302.418 2.290 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)[C@H](C)O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000386867306 685419930 /nfs/dbraw/zinc/41/99/30/685419930.db2.gz CXKDNIRCPVRNKF-CRWXNKLISA-N 1 0 300.443 2.381 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000389810535 685436288 /nfs/dbraw/zinc/43/62/88/685436288.db2.gz YQYFCDBEZKYBTI-GSFWHOLMSA-N 1 0 314.838 2.228 10 0 DEAERO COCC[N@H+]1[C@H](C)CN(C(=O)CCc2ccc(C)cc2)C[C@@H]1C ZINC000036214913 683880786 /nfs/dbraw/zinc/88/07/86/683880786.db2.gz ZSCZLWNTLKEEEP-CALCHBBNSA-N 1 0 318.461 2.495 10 0 DEAERO O=[N+]([O-])c1cccc(N2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000089885920 684027488 /nfs/dbraw/zinc/02/74/88/684027488.db2.gz GWGZXOGMHFRPHM-CVEARBPZSA-N 1 0 305.378 2.020 10 0 DEAERO O=S1(=O)CCC(C[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000120792754 684100688 /nfs/dbraw/zinc/10/06/88/684100688.db2.gz NCZMCNBRACUDNQ-UHFFFAOYSA-N 1 0 305.802 2.394 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000137002219 684243265 /nfs/dbraw/zinc/24/32/65/684243265.db2.gz MIOYJLLYDNPIIP-UHFFFAOYSA-N 1 0 312.211 2.010 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC1(Cl)Cl ZINC000155329443 684270771 /nfs/dbraw/zinc/27/07/71/684270771.db2.gz NZYBFXSUJJOFFY-STQMWFEESA-N 1 0 315.244 2.469 10 0 DEAERO COc1cccc(N2CCC[C@H](NC(=O)CCCCC[NH3+])C2)c1 ZINC000155697094 684278905 /nfs/dbraw/zinc/27/89/05/684278905.db2.gz ZCNQNUGHEHVJSW-HNNXBMFYSA-N 1 0 319.449 2.299 10 0 DEAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C2=CCCCO2)C1 ZINC000190655903 684410284 /nfs/dbraw/zinc/41/02/84/684410284.db2.gz RQBQGPXFMLJSGC-MRXNPFEDSA-N 1 0 315.417 2.056 10 0 DEAERO CC1(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)OCCCO1 ZINC000190651041 684410717 /nfs/dbraw/zinc/41/07/17/684410717.db2.gz DGTJPQYMHBVZSE-KRWDZBQOSA-N 1 0 304.434 2.394 10 0 DEAERO C[NH2+]CCCN(C)S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000211428337 685103024 /nfs/dbraw/zinc/10/30/24/685103024.db2.gz RBNIKUNQZHTBPI-FLIBITNWSA-N 1 0 302.827 2.182 10 0 DEAERO O=S(=O)(/C=C\c1ccc(Cl)cc1)N[C@@H]1CCCC[NH2+]C1 ZINC000216556980 685106061 /nfs/dbraw/zinc/10/60/61/685106061.db2.gz MOJXJHQQEJMARV-QQBNSCQMSA-N 1 0 314.838 2.372 10 0 DEAERO CSc1cc2c(cc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1)OCCO2 ZINC000237300953 685108043 /nfs/dbraw/zinc/10/80/43/685108043.db2.gz BWJGZTAIEPEFDA-VHSXEESVSA-N 1 0 308.403 2.246 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnn(-c2ccccc2)n1 ZINC000245414897 685110808 /nfs/dbraw/zinc/11/08/08/685110808.db2.gz CUMZEHLNYXNSQK-WMZOPIPTSA-N 1 0 311.433 2.326 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CSCCS1 ZINC000245831895 685119382 /nfs/dbraw/zinc/11/93/82/685119382.db2.gz BVSIGWQQUORYDN-DZGCQCFKSA-N 1 0 324.515 2.472 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(Br)c1 ZINC000246101369 685123338 /nfs/dbraw/zinc/12/33/38/685123338.db2.gz NBBRVUAZXNNJOM-PWSUYJOCSA-N 1 0 324.222 2.153 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CSCCS2)[C@@H](C)C1 ZINC000246578510 685132790 /nfs/dbraw/zinc/13/27/90/685132790.db2.gz FXTOPOUMZREEFT-MJBXVCDLSA-N 1 0 316.536 2.414 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000246969084 685140075 /nfs/dbraw/zinc/14/00/75/685140075.db2.gz LRFWCIPSAVOJCI-SJORKVTESA-N 1 0 300.406 2.265 10 0 DEAERO CC(C)c1nn(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(=S)n1C ZINC000247148439 685142915 /nfs/dbraw/zinc/14/29/15/685142915.db2.gz RSHQWMWKCLJPLU-OLZOCXBDSA-N 1 0 309.483 2.200 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CCC[C@H]1O)c1cccc(C(F)(F)F)c1 ZINC000250090156 685189285 /nfs/dbraw/zinc/18/92/85/685189285.db2.gz WVMPKEGHIGINAK-MRVWCRGKSA-N 1 0 303.324 2.489 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C2CC2)C(C)(C)C1 ZINC000300807071 685226815 /nfs/dbraw/zinc/22/68/15/685226815.db2.gz GNJSQAWITSARAY-UONOGXRCSA-N 1 0 312.454 2.383 10 0 DEAERO CCN1CCO[C@@H](C[NH2+][C@H]2CC=C(C)CC2)[C@@H]1c1nccn1C ZINC000886081990 691999463 /nfs/dbraw/zinc/99/94/63/691999463.db2.gz PXHVZUSMRHBVNW-YESZJQIVSA-N 1 0 318.465 2.270 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1C ZINC000722593480 776536805 /nfs/dbraw/zinc/53/68/05/776536805.db2.gz GVSRDUDUWXCWKY-NSHDSACASA-N 1 0 302.465 2.031 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000723790448 777170383 /nfs/dbraw/zinc/17/03/83/777170383.db2.gz WWHUJJSAIOHWSE-VKYBYORPSA-N 1 0 314.838 2.086 10 0 DEAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)[C@H]1CCCOC1 ZINC000723995365 777217822 /nfs/dbraw/zinc/21/78/22/777217822.db2.gz PIHKFTDGBLNLAK-YJNKXOJESA-N 1 0 303.468 2.137 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CCN1C ZINC000724036825 777225090 /nfs/dbraw/zinc/22/50/90/777225090.db2.gz QKDMZLFKEXNGII-KXUCPTDWSA-N 1 0 304.303 2.007 10 0 DEAERO CO[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC000724315440 777273847 /nfs/dbraw/zinc/27/38/47/777273847.db2.gz ZWKKMOQYDMBMMK-DYALRZPUSA-N 1 0 301.452 2.032 10 0 DEAERO Brc1ccccc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724636580 777418349 /nfs/dbraw/zinc/41/83/49/777418349.db2.gz NIEMUFNJISYYGC-BZPMIXESSA-N 1 0 312.207 2.343 10 0 DEAERO C[C@@](O)(C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)C(F)(F)C(F)(F)F ZINC000724688137 777462826 /nfs/dbraw/zinc/46/28/26/777462826.db2.gz CKFPIQBUGYHXEQ-KXUCPTDWSA-N 1 0 303.271 2.046 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CC23CC(O)C3)CC1 ZINC000725002254 777555727 /nfs/dbraw/zinc/55/57/27/777555727.db2.gz SQQDHSFEAJJNAI-PEUXKQIOSA-N 1 0 310.438 2.279 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000725116334 777587803 /nfs/dbraw/zinc/58/78/03/777587803.db2.gz ZZRVXRPQGJHBJF-GFCCVEGCSA-N 1 0 302.465 2.128 10 0 DEAERO Cc1nn(C)c(C[NH2+]C[C@]2(OC(C)C)CCOC2)c1Cl ZINC000722344140 778636828 /nfs/dbraw/zinc/63/68/28/778636828.db2.gz AEULNWISZNQOPU-CQSZACIVSA-N 1 0 301.818 2.056 10 0 DEAERO CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722500548 778742386 /nfs/dbraw/zinc/74/23/86/778742386.db2.gz DDNAHVOHFVLJFS-BFHYXJOUSA-N 1 0 314.426 2.475 10 0 DEAERO Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000721844839 780282710 /nfs/dbraw/zinc/28/27/10/780282710.db2.gz DYKIKVCWOVWUTM-BXUZGUMPSA-N 1 0 308.426 2.074 10 0 DEAERO CO[C@]1(C[NH2+][C@H](C)c2cc(C)sc2C)CCS(=O)(=O)C1 ZINC000721258030 781016678 /nfs/dbraw/zinc/01/66/78/781016678.db2.gz GGGSCMBVTQUCQV-RISCZKNCSA-N 1 0 317.476 2.219 10 0 DEAERO CCOC1CC2(C[C@H]2[NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC000721242469 781741438 /nfs/dbraw/zinc/74/14/38/781741438.db2.gz FKPUXQIITRLQIJ-PBHCIXSXSA-N 1 0 305.418 2.111 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000721124103 783900228 /nfs/dbraw/zinc/90/02/28/783900228.db2.gz OGBCOZREGLXOLF-ZJUUUORDSA-N 1 0 307.337 2.335 10 0 DEAERO CCN1CCC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1=O ZINC000722344507 787328727 /nfs/dbraw/zinc/32/87/27/787328727.db2.gz BMFZDGYWIAZZHR-OFLPRAFFSA-N 1 0 302.418 2.335 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1C ZINC000722566030 787334126 /nfs/dbraw/zinc/33/41/26/787334126.db2.gz GGKQMPRHPOGNDA-QPUJVOFHSA-N 1 0 302.465 2.031 10 0 DEAERO Cc1sc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cc1Br ZINC000723570080 787344425 /nfs/dbraw/zinc/34/44/25/787344425.db2.gz AALXAAQARLYEPL-SECBINFHSA-N 1 0 317.252 2.387 10 0 DEAERO CCO[C@H]1CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724111904 787349215 /nfs/dbraw/zinc/34/92/15/787349215.db2.gz QMRBHXUTTKELPN-UWVGGRQHSA-N 1 0 305.287 2.436 10 0 DEAERO Cc1csc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)n1 ZINC000724111820 787349429 /nfs/dbraw/zinc/34/94/29/787349429.db2.gz WFVVHWSZNMBWPM-MRVPVSSYSA-N 1 0 304.284 2.490 10 0 DEAERO CO[C@@H]([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1CC1 ZINC000724105729 787349488 /nfs/dbraw/zinc/34/94/88/787349488.db2.gz QZBDHNXRJWBHGD-JEZHCXPESA-N 1 0 305.287 2.338 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000724295515 787350715 /nfs/dbraw/zinc/35/07/15/787350715.db2.gz JMRTUHXZGXMEAK-LOWDOPEQSA-N 1 0 300.399 2.083 10 0 DEAERO CCO[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC000724316399 787351192 /nfs/dbraw/zinc/35/11/92/787351192.db2.gz IQEKWGZMCIQIBO-AGIDCKOXSA-N 1 0 301.452 2.032 10 0 DEAERO COCC[C@H](COC)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000393940085 789603942 /nfs/dbraw/zinc/60/39/42/789603942.db2.gz HAFSASJCVSUCNR-ZIAGYGMSSA-N 1 0 316.442 2.027 10 0 DEAERO C[C@H](C[NH2+]Cc1cnn(C)c1Cl)N(C)C(=O)OC(C)(C)C ZINC000712417512 792187128 /nfs/dbraw/zinc/18/71/28/792187128.db2.gz VKQSUMPQZPHLGR-SNVBAGLBSA-N 1 0 316.833 2.419 10 0 DEAERO C[C@@H](Cc1ccccn1)[NH2+]Cc1cn(C)nc1Br ZINC000712462980 792188667 /nfs/dbraw/zinc/18/86/67/792188667.db2.gz YCJZAYFITYTPBR-JTQLQIEISA-N 1 0 309.211 2.298 10 0 DEAERO CCN1CC[C@@H]1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000712593923 792191891 /nfs/dbraw/zinc/19/18/91/792191891.db2.gz GFOJSHTWOBQJOU-LSDHHAIUSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCN1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000712571851 792201202 /nfs/dbraw/zinc/20/12/02/792201202.db2.gz ZCKVZSVCQSIKAG-KKUMJFAQSA-N 1 0 311.470 2.316 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)s1 ZINC000713219406 792216470 /nfs/dbraw/zinc/21/64/70/792216470.db2.gz ZBOZKWDFFZDOHU-UHFFFAOYSA-N 1 0 314.476 2.217 10 0 DEAERO CC[C@H](C)[NH+]1CCN(Cc2cn(C)nc2Br)CC1 ZINC000713826764 792261274 /nfs/dbraw/zinc/26/12/74/792261274.db2.gz RBEBTOUXTNPREA-NSHDSACASA-N 1 0 315.259 2.099 10 0 DEAERO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Cl)cn1 ZINC000714343255 792309550 /nfs/dbraw/zinc/30/95/50/792309550.db2.gz VPPVUYSFJCCCON-ZYHUDNBSSA-N 1 0 302.827 2.353 10 0 DEAERO O[C@H](CC[NH2+]C[C@@H](O)c1cccc(Br)c1)C(F)F ZINC000716712185 793003009 /nfs/dbraw/zinc/00/30/09/793003009.db2.gz KKNSBBWAZFFOCS-GHMZBOCLSA-N 1 0 324.165 2.088 10 0 DEAERO NC(=O)C1CC([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000716716739 793004173 /nfs/dbraw/zinc/00/41/73/793004173.db2.gz MVAIYRGESGLATM-UHFFFAOYSA-N 1 0 317.614 2.456 10 0 DEAERO NC(=O)C1CC([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000716755886 793004720 /nfs/dbraw/zinc/00/47/20/793004720.db2.gz UQAVPARQCZQASC-OCTTZUBCSA-N 1 0 309.207 2.290 10 0 DEAERO C[C@@]1(c2cccc(C[NH2+]Cc3cccs3)c2)NC(=O)NC1=O ZINC000171130945 793712449 /nfs/dbraw/zinc/71/24/49/793712449.db2.gz GVVFFQVQWYHSAY-INIZCTEOSA-N 1 0 315.398 2.093 10 0 DEAERO COCCN(C)CC[NH2+]Cc1ccc(Br)cc1C ZINC000151638710 795467851 /nfs/dbraw/zinc/46/78/51/795467851.db2.gz NPTSEAFUIZHBEC-UHFFFAOYSA-N 1 0 315.255 2.425 10 0 DEAERO C[C@H](CNC(=O)N[C@H]1CCO[C@H]1c1ccccc1)[N@H+](C)C1CC1 ZINC000245459907 797847796 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DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CC2(CO)CC2)C12CCC2 ZINC000405310521 802050166 /nfs/dbraw/zinc/05/01/66/802050166.db2.gz OKLFNESMAYVDJF-STQMWFEESA-N 1 0 310.438 2.184 10 0 DEAERO O=C(NCC1CC1)C1([NH2+]CCCOCC(F)(F)F)CCCC1 ZINC000085937655 1081547800 /nfs/dbraw/zinc/54/78/00/1081547800.db2.gz WDWJFXWYQDJMTG-UHFFFAOYSA-N 1 0 322.371 2.384 10 0 DEAERO CN1C(=O)[C@@H]2[C@@H](C[N@H+](Cc3ccccc3)[C@@H]2c2ccccc2)C1=O ZINC000409428410 1082278795 /nfs/dbraw/zinc/27/87/95/1082278795.db2.gz DXZRRXDRZHYMIU-KZNAEPCWSA-N 1 0 320.392 2.475 10 0 DEAERO CC[C@@H]([NH2+]Cc1cc(Br)nn1C)[C@H]1CCCOC1 ZINC000724015566 1082460555 /nfs/dbraw/zinc/46/05/55/1082460555.db2.gz VXBNEHUOFMZEPN-CMPLNLGQSA-N 1 0 316.243 2.477 10 0 DEAERO CC(C)(C)OC(=O)NC1CCN(CC[NH2+]Cc2cc[nH]c2)CC1 ZINC000721928297 1084485420 /nfs/dbraw/zinc/48/54/20/1084485420.db2.gz AAICXYIYMUDDCB-UHFFFAOYSA-N 1 0 322.453 2.093 10 0 DEAERO CN(Cc1ccc(Br)cc1)C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000720966188 1085190861 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O=C(/C=C/c1ccc(Br)o1)N[C@H]1CCC[NH2+]CC1 ZINC000700608778 1086322303 /nfs/dbraw/zinc/32/23/03/1086322303.db2.gz NBCGBQIZQBGLHP-RWCYGVJQSA-N 1 0 313.195 2.314 10 0 DEAERO C[C@@H]1CC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)cc2)C[NH2+]1 ZINC000700706738 1086330257 /nfs/dbraw/zinc/33/02/57/1086330257.db2.gz YGOFTWAKSCTFQT-FUEMLBOPSA-N 1 0 314.838 2.371 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccnn1C ZINC000700736612 1086331625 /nfs/dbraw/zinc/33/16/25/1086331625.db2.gz ARVXEOFYPNJVGV-RWMBFGLXSA-N 1 0 308.426 2.469 10 0 DEAERO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)cn1 ZINC000700737546 1086333081 /nfs/dbraw/zinc/33/30/81/1086333081.db2.gz OGQDLJZWBXRNBI-GXTWGEPZSA-N 1 0 308.426 2.391 10 0 DEAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000700748589 1086333395 /nfs/dbraw/zinc/33/33/95/1086333395.db2.gz BPULPXGLKFHHRV-TUVASFSCSA-N 1 0 311.470 2.457 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]CCOC2CCOCC2)CCN1Cc1ccccc1 ZINC000701391164 1086363843 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DEAERO C[C@H]1C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)CS1 ZINC000705907150 1086627955 /nfs/dbraw/zinc/62/79/55/1086627955.db2.gz MYLKCHVJFPOQAM-STQMWFEESA-N 1 0 318.483 2.354 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)C1 ZINC000708866289 1086679215 /nfs/dbraw/zinc/67/92/15/1086679215.db2.gz AZRFOOYBVFTQJH-BFHYXJOUSA-N 1 0 302.484 2.072 10 0 DEAERO CN(C)C1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000709440675 1086682741 /nfs/dbraw/zinc/68/27/41/1086682741.db2.gz KQNNUEIQKKHOEB-KKUMJFAQSA-N 1 0 323.481 2.458 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC000709819206 1086684659 /nfs/dbraw/zinc/68/46/59/1086684659.db2.gz GLSQJUBZVOVVFQ-MNOVXSKESA-N 1 0 306.353 2.010 10 0 DEAERO CN(CCCCCC[NH3+])C(=O)c1cc(Br)c[nH]1 ZINC000710724523 1086688793 /nfs/dbraw/zinc/68/87/93/1086688793.db2.gz NHEDCPQHVWRYHT-UHFFFAOYSA-N 1 0 302.216 2.368 10 0 DEAERO CC(C)C[C@@H](CN(C)C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710871824 1086689233 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Cn1cc(C[NH2+][C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cn1 ZINC000711637536 1087179088 /nfs/dbraw/zinc/17/90/88/1087179088.db2.gz ADXORLGWLCBGCV-WMLDXEAASA-N 1 0 320.437 2.442 10 0 DEAERO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1Br ZINC000711655870 1087188934 /nfs/dbraw/zinc/18/89/34/1087188934.db2.gz UAVNKSPCABETSV-OCCSQVGLSA-N 1 0 309.207 2.464 10 0 DEAERO O=C(Cc1cccc(Br)c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000711697225 1087190757 /nfs/dbraw/zinc/19/07/57/1087190757.db2.gz JXPGXSKIVWDLIX-ZFWWWQNUSA-N 1 0 323.234 2.392 10 0 DEAERO Brc1cnn(CCC[NH2+]Cc2nccn2C2CC2)c1 ZINC000711785472 1087202590 /nfs/dbraw/zinc/20/25/90/1087202590.db2.gz QALAXQXADMBQMM-UHFFFAOYSA-N 1 0 324.226 2.357 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC000718807780 1088655324 /nfs/dbraw/zinc/65/53/24/1088655324.db2.gz RAFBXWNGFNADBL-WCBMZHEXSA-N 1 0 308.856 2.242 10 0 DEAERO Cc1nc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)sc1Br ZINC000719254858 1088914521 /nfs/dbraw/zinc/91/45/21/1088914521.db2.gz ZTPANQJQWWVYGU-ZJUUUORDSA-N 1 0 316.268 2.398 10 0 DEAERO Cc1ccc(C[NH2+][C@H]2CCCNC2=O)c(C)c1Br ZINC000719567575 1089304203 /nfs/dbraw/zinc/30/42/03/1089304203.db2.gz YPCMBXWZKQGEFH-LBPRGKRZSA-N 1 0 311.223 2.434 10 0 DEAERO COc1nsc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)c1Br ZINC000719608228 1089327091 /nfs/dbraw/zinc/32/70/91/1089327091.db2.gz FDGDABWRTUJYMB-HTQZYQBOSA-N 1 0 320.256 2.096 10 0 DEAERO CC(C)CC[C@@H]([NH3+])C(=O)NCCOC(F)(F)C(F)(F)F ZINC000720235414 1089536795 /nfs/dbraw/zinc/53/67/95/1089536795.db2.gz PCLHFNAMLZWIPG-MRVPVSSYSA-N 1 0 306.275 2.038 10 0 DEAERO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1CCCOC1 ZINC000724100006 1143949380 /nfs/dbraw/zinc/94/93/80/1143949380.db2.gz ASMJEEXFIFEINC-IVZWLZJFSA-N 1 0 305.287 2.340 10 0 DEAERO C[NH2+][C@@H](CSCCS(C)(=O)=O)c1ccc(C)cc1C ZINC000081768416 192322548 /nfs/dbraw/zinc/32/25/48/192322548.db2.gz VYOSLYHYQQVBMC-AWEZNQCLSA-N 1 0 301.477 2.342 10 0 DEAERO CC[NH2+][C@H](CSCCS(C)(=O)=O)c1ccccc1C ZINC000081768885 192323484 /nfs/dbraw/zinc/32/34/84/192323484.db2.gz LRGFZHKAAZHUFQ-CQSZACIVSA-N 1 0 301.477 2.423 10 0 DEAERO COc1ccc(CCCNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000139773392 282101958 /nfs/dbraw/zinc/10/19/58/282101958.db2.gz SHRSMNCNPQUHJZ-HNNXBMFYSA-N 1 0 305.422 2.021 10 0 DEAERO CCOC(=O)CSC[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000081795516 192324773 /nfs/dbraw/zinc/32/47/73/192324773.db2.gz CHCSEGQHHYPAJA-LBPRGKRZSA-N 1 0 313.419 2.261 10 0 DEAERO C[NH2+][C@@H](CSc1nnc(C)o1)c1ccc2c(c1)OCCO2 ZINC000081877816 192333103 /nfs/dbraw/zinc/33/31/03/192333103.db2.gz RYTBPULLZZFQPA-NSHDSACASA-N 1 0 307.375 2.202 10 0 DEAERO [NH3+]CCS[C@@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000095611881 185382639 /nfs/dbraw/zinc/38/26/39/185382639.db2.gz ISZJPIYGYSGHMI-CQSZACIVSA-N 1 0 300.383 2.164 10 0 DEAERO CCn1c(=O)[nH]nc1SC[C@@H]([NH2+]C)c1ccc(C)c(C)c1 ZINC000081882127 192333996 /nfs/dbraw/zinc/33/39/96/192333996.db2.gz KXYDWFHJOVEAJM-CYBMUJFWSA-N 1 0 306.435 2.261 10 0 DEAERO CCCn1c(=O)[nH]nc1S[C@H](C)[C@@H]([NH2+]C)c1ccccc1 ZINC000081879317 192334029 /nfs/dbraw/zinc/33/40/29/192334029.db2.gz YIOWRYRHWVZRAE-DGCLKSJQSA-N 1 0 306.435 2.423 10 0 DEAERO CCn1c(=O)[nH]nc1SC[C@H]([NH2+]C)c1cc(C)ccc1C ZINC000081879838 192334342 /nfs/dbraw/zinc/33/43/42/192334342.db2.gz VBRKRUCKUVGDJA-ZDUSSCGKSA-N 1 0 306.435 2.261 10 0 DEAERO C[C@H](O)C[C@H](C[NH3+])c1cc(Br)c2c(c1)OCCO2 ZINC000162497502 197571619 /nfs/dbraw/zinc/57/16/19/197571619.db2.gz ICQOVKCRRAOHPK-WCBMZHEXSA-N 1 0 316.195 2.034 10 0 DEAERO C[NH2+]C[C@@H]1CCN(C(=O)NC[C@H]2CCC3(CCCCC3)O2)C1 ZINC000333552867 282952038 /nfs/dbraw/zinc/95/20/38/282952038.db2.gz KKPZGRFIJXKDCT-LSDHHAIUSA-N 1 0 309.454 2.119 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000162886183 197598010 /nfs/dbraw/zinc/59/80/10/197598010.db2.gz ZJHDKDKZNGXAJT-MELADBBJSA-N 1 0 308.447 2.305 10 0 DEAERO O=C(C[NH2+]CC1CC1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000162885469 197598245 /nfs/dbraw/zinc/59/82/45/197598245.db2.gz OAWQETOXLMWEFV-ZIAGYGMSSA-N 1 0 308.447 2.162 10 0 DEAERO COc1ccc(S(=O)(=O)[C@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000081923122 192340432 /nfs/dbraw/zinc/34/04/32/192340432.db2.gz JAQUTYXOSRKDRU-JKSUJKDBSA-N 1 0 303.383 2.094 10 0 DEAERO [NH3+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1Br ZINC000081932007 192340900 /nfs/dbraw/zinc/34/09/00/192340900.db2.gz MBIBISLNBXKBIZ-PWSUYJOCSA-N 1 0 318.236 2.493 10 0 DEAERO CN(C)c1nnc(SCc2cc(F)cc(C(N)=[NH2+])c2)s1 ZINC000163576845 197639615 /nfs/dbraw/zinc/63/96/15/197639615.db2.gz WCWWQADQFPXNMK-UHFFFAOYSA-N 1 0 311.411 2.320 10 0 DEAERO C[C@H]([NH3+])CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000081933649 192341099 /nfs/dbraw/zinc/34/10/99/192341099.db2.gz LBJQBPUVWXAEED-VIFPVBQESA-N 1 0 306.225 2.350 10 0 DEAERO C[NH2+][C@H](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000081933955 192341244 /nfs/dbraw/zinc/34/12/44/192341244.db2.gz UAFSJGXKZWNXNV-SECBINFHSA-N 1 0 306.225 2.221 10 0 DEAERO OC[C@@H](c1ccc(F)c(C(F)(F)F)c1)N1CCC[NH2+]CC1 ZINC000163806436 197649310 /nfs/dbraw/zinc/64/93/10/197649310.db2.gz OJKQYXGZQUIKTB-ZDUSSCGKSA-N 1 0 306.303 2.173 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000116790302 282136880 /nfs/dbraw/zinc/13/68/80/282136880.db2.gz YJLIQLBTHLNQCX-WCWCZOKXSA-N 1 0 320.477 2.382 10 0 DEAERO CC[NH2+]CCCS(=O)(=O)c1ccccc1Br ZINC000081932191 192341556 /nfs/dbraw/zinc/34/15/56/192341556.db2.gz XPICYCJMMGBXPO-UHFFFAOYSA-N 1 0 306.225 2.222 10 0 DEAERO CCC[C@@H]([NH3+])[C@@H](CC)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935475 192342699 /nfs/dbraw/zinc/34/26/99/192342699.db2.gz ZAZNDKOFLTVCRH-IUODEOHRSA-N 1 0 313.419 2.138 10 0 DEAERO CCn1ncc(Br)c1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000164635552 197659416 /nfs/dbraw/zinc/65/94/16/197659416.db2.gz PQFUQVKZLWEWIB-SECBINFHSA-N 1 0 300.200 2.238 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(CCCCO)C1CC1 ZINC000152385331 282143258 /nfs/dbraw/zinc/14/32/58/282143258.db2.gz NQJHOANXZBDRNH-MRXNPFEDSA-N 1 0 311.470 2.053 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)CCC)c1ccc2c(c1)OCO2 ZINC000081941002 192344087 /nfs/dbraw/zinc/34/40/87/192344087.db2.gz BYFNIBKPLRBOTM-CYBMUJFWSA-N 1 0 313.419 2.281 10 0 DEAERO CCS(=O)(=O)c1ccccc1NC(=O)CC[C@H](C)CC[NH3+] ZINC000079117301 185159314 /nfs/dbraw/zinc/15/93/14/185159314.db2.gz PFLSBPCVHIVMLL-LBPRGKRZSA-N 1 0 312.435 2.184 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)Cc2ccccc2C[NH3+])CC1 ZINC000079308562 185164386 /nfs/dbraw/zinc/16/43/86/185164386.db2.gz KMWFSEQKVLJDAW-AWEZNQCLSA-N 1 0 310.463 2.487 10 0 DEAERO CCC[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000079358213 185166957 /nfs/dbraw/zinc/16/69/57/185166957.db2.gz YKXHHPRIZVVWOF-LSDHHAIUSA-N 1 0 302.484 2.218 10 0 DEAERO CCC[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000079358294 185166966 /nfs/dbraw/zinc/16/69/66/185166966.db2.gz BHSWKZHEKQXTLQ-CABCVRRESA-N 1 0 302.484 2.361 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000152911809 282156954 /nfs/dbraw/zinc/15/69/54/282156954.db2.gz JRIGINWMMVBJQW-ZBFHGGJFSA-N 1 0 322.449 2.039 10 0 DEAERO C[N@@H+]1CCO[C@H]2CN(c3ncc(-c4ccccc4)s3)C[C@@H]21 ZINC000153158000 282163233 /nfs/dbraw/zinc/16/32/33/282163233.db2.gz DGVMYAAFOYCAOD-KBPBESRZSA-N 1 0 301.415 2.329 10 0 DEAERO CC[NH2+][C@H](CCO)CSc1ncccc1Br ZINC000082990726 185210491 /nfs/dbraw/zinc/21/04/91/185210491.db2.gz HPQDMNZYRPHWDV-SECBINFHSA-N 1 0 305.241 2.297 10 0 DEAERO CC[C@H]1C[NH2+]CCN1c1cccc(I)c1 ZINC000083086706 185213053 /nfs/dbraw/zinc/21/30/53/185213053.db2.gz BXUIEAFLCHRFKE-NSHDSACASA-N 1 0 316.186 2.479 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(N3CCCCCC3)nc2)C1 ZINC000170867174 282180601 /nfs/dbraw/zinc/18/06/01/282180601.db2.gz LLOTULXARDPHJK-INIZCTEOSA-N 1 0 316.449 2.238 10 0 DEAERO C[C@@H](CCCO)[NH2+]Cc1ccc(I)o1 ZINC000087358773 185222584 /nfs/dbraw/zinc/22/25/84/185222584.db2.gz CXTIAZWXBJXSIU-QMMMGPOBSA-N 1 0 309.147 2.135 10 0 DEAERO C[C@H](CCCO)[NH2+][C@H](CN)c1cc(Br)cs1 ZINC000087359042 185222767 /nfs/dbraw/zinc/22/27/67/185222767.db2.gz DEIVRAXOCALZIV-PSASIEDQSA-N 1 0 307.257 2.261 10 0 DEAERO CC(C)c1nnsc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000087442765 185225142 /nfs/dbraw/zinc/22/51/42/185225142.db2.gz IDBCISBNNPZUCJ-RYUDHWBXSA-N 1 0 308.451 2.266 10 0 DEAERO CC(C)c1nnsc1C(=O)N1CCNCc2ccccc21 ZINC000087442858 185225178 /nfs/dbraw/zinc/22/51/78/185225178.db2.gz JURIQZULIXVHHT-UHFFFAOYSA-N 1 0 302.403 2.412 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000087455547 185225658 /nfs/dbraw/zinc/22/56/58/185225658.db2.gz BCVNZGCJVQYMMU-WDEREUQCSA-N 1 0 308.451 2.192 10 0 DEAERO CCCc1nnsc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000087455667 185225693 /nfs/dbraw/zinc/22/56/93/185225693.db2.gz HMNHVRRNWPWUOG-WCQYABFASA-N 1 0 308.451 2.237 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000087515409 185227394 /nfs/dbraw/zinc/22/73/94/185227394.db2.gz RNOFBNJRHWOZCC-ZDUSSCGKSA-N 1 0 309.841 2.364 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000087515041 185227523 /nfs/dbraw/zinc/22/75/23/185227523.db2.gz UZIMCQNXKVCDCC-ZDUSSCGKSA-N 1 0 309.841 2.364 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC2(C1)CCCCC2 ZINC000173173245 282188297 /nfs/dbraw/zinc/18/82/97/282188297.db2.gz KPUQAOVOADQUFR-MRXNPFEDSA-N 1 0 323.481 2.463 10 0 DEAERO CC(C)c1nsc(N(CCC(N)=[NH2+])Cc2cccnc2)n1 ZINC000087640272 185229873 /nfs/dbraw/zinc/22/98/73/185229873.db2.gz LDSMUROSJNHMOM-UHFFFAOYSA-N 1 0 304.423 2.389 10 0 DEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000087694884 185230711 /nfs/dbraw/zinc/23/07/11/185230711.db2.gz ANXDPYIKFZMFQL-RYUDHWBXSA-N 1 0 312.435 2.182 10 0 DEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000087694071 185230743 /nfs/dbraw/zinc/23/07/43/185230743.db2.gz MFMWIWNHVBDVQF-VXGBXAGGSA-N 1 0 312.435 2.182 10 0 DEAERO COCCN(C(=O)[C@H](C)CCC[C@H](C)[NH3+])[C@@H]1CCSC1 ZINC000087696048 185230798 /nfs/dbraw/zinc/23/07/98/185230798.db2.gz HQKPHJJTANQIHV-HZSPNIEDSA-N 1 0 302.484 2.121 10 0 DEAERO COc1ccc([C@H]([NH3+])CC(C)(C)C(N)=O)cc1Br ZINC000087722117 185231049 /nfs/dbraw/zinc/23/10/49/185231049.db2.gz QEOZPAMRZFBELE-SNVBAGLBSA-N 1 0 315.211 2.359 10 0 DEAERO Cc1cc(Nc2cc(NN)[nH+]c(N)n2)ccc1Br ZINC000087885247 185234542 /nfs/dbraw/zinc/23/45/42/185234542.db2.gz WMIKEZGROGUOQH-UHFFFAOYSA-N 1 0 309.171 2.159 10 0 DEAERO CCCCS(=O)(=O)C[C@H]([NH2+]CC)c1ccc2c(c1)OCO2 ZINC000081973903 192347523 /nfs/dbraw/zinc/34/75/23/192347523.db2.gz NCZFCGRFHAITHB-ZDUSSCGKSA-N 1 0 313.419 2.281 10 0 DEAERO COc1ccc(Br)c(Nc2cc(NN)[nH+]cn2)c1 ZINC000087889184 185234635 /nfs/dbraw/zinc/23/46/35/185234635.db2.gz OLFWWIMEHNNHSH-UHFFFAOYSA-N 1 0 310.155 2.277 10 0 DEAERO NNc1nc(OCC2CCCCC2)c(Br)c[nH+]1 ZINC000087889143 185234800 /nfs/dbraw/zinc/23/48/00/185234800.db2.gz BMJFOCJDWKWSIN-UHFFFAOYSA-N 1 0 301.188 2.484 10 0 DEAERO [NH3+]C[C@@H](NC[C@@H]1CCCO1)c1cc(Br)ccc1F ZINC000087928554 185237538 /nfs/dbraw/zinc/23/75/38/185237538.db2.gz UVPYHUGRURNESN-GXFFZTMASA-N 1 0 317.202 2.357 10 0 DEAERO COc1ccc([C@@H](C[NH3+])NC[C@H]2CCCO2)c(Cl)c1OC ZINC000087928375 185237570 /nfs/dbraw/zinc/23/75/70/185237570.db2.gz KLWSVUSCUNMGSP-ZYHUDNBSSA-N 1 0 314.813 2.126 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000088058898 185238489 /nfs/dbraw/zinc/23/84/89/185238489.db2.gz NCRYCTCQNHQIAF-SNVBAGLBSA-N 1 0 314.227 2.095 10 0 DEAERO COc1cc(C)c(Br)cc1[C@@H]([NH3+])[C@H]1COCCO1 ZINC000088078063 185238999 /nfs/dbraw/zinc/23/89/99/185238999.db2.gz XYGGRDMZEWWWLS-CHWSQXEVSA-N 1 0 316.195 2.181 10 0 DEAERO COc1ccc(C[C@H]([NH3+])[C@@H]2CCOC2)cc1Br ZINC000087804442 185232526 /nfs/dbraw/zinc/23/25/26/185232526.db2.gz OYOZEEHMGKHSBB-PWSUYJOCSA-N 1 0 300.196 2.364 10 0 DEAERO CC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccncc1 ZINC000173499392 282190973 /nfs/dbraw/zinc/19/09/73/282190973.db2.gz ZYEAUIVDRSYPPT-IMJJTQAJSA-N 1 0 302.422 2.411 10 0 DEAERO C[NH2+][C@H](Cc1ccc(OC(F)(F)F)cc1)[C@H]1COCCO1 ZINC000087857550 185233547 /nfs/dbraw/zinc/23/35/47/185233547.db2.gz JJYQTNDCJMYDKT-CHWSQXEVSA-N 1 0 305.296 2.131 10 0 DEAERO CCC[NH2+][C@H](c1occc1Br)[C@@H]1COCCO1 ZINC000087858739 185233814 /nfs/dbraw/zinc/23/38/14/185233814.db2.gz CMVYTIVPLXVIRD-QWRGUYRKSA-N 1 0 304.184 2.498 10 0 DEAERO CC[NH2+][C@@H](Cc1ccccc1Br)[C@@H]1COCCO1 ZINC000087857918 185233956 /nfs/dbraw/zinc/23/39/56/185233956.db2.gz OQOHLKMLGKYMFU-KBPBESRZSA-N 1 0 314.223 2.385 10 0 DEAERO C[C@@H]1CCCN(c2nc(NN)[nH+]cc2Br)CC1 ZINC000087877329 185234179 /nfs/dbraw/zinc/23/41/79/185234179.db2.gz UFRKPYDWUBZWSV-MRVPVSSYSA-N 1 0 300.204 2.151 10 0 DEAERO [NH3+]C[C@@H]1CC(=O)N(c2cc(Cl)ccc2Br)C1 ZINC000088123686 185240122 /nfs/dbraw/zinc/24/01/22/185240122.db2.gz IIJUFNIFIQLMLK-ZETCQYMHSA-N 1 0 303.587 2.414 10 0 DEAERO C[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000088312122 185245326 /nfs/dbraw/zinc/24/53/26/185245326.db2.gz FWONNEGZAKHQRP-VXGBXAGGSA-N 1 0 324.229 2.144 10 0 DEAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)N1CCCCc2ccccc21 ZINC000088337502 185246389 /nfs/dbraw/zinc/24/63/89/185246389.db2.gz HOUNEPUCCRIDAQ-AWEZNQCLSA-N 1 0 308.447 2.159 10 0 DEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)N(C)CCC(F)(F)F)cc1 ZINC000088432894 185249695 /nfs/dbraw/zinc/24/96/95/185249695.db2.gz BMWOHHKZYKKGRU-VIFPVBQESA-N 1 0 310.341 2.279 10 0 DEAERO O=C(Nc1ncccc1Br)[C@H]1CC12CC[NH2+]CC2 ZINC000088447143 185251217 /nfs/dbraw/zinc/25/12/17/185251217.db2.gz ZAADFKUDGKFUDD-SECBINFHSA-N 1 0 310.195 2.172 10 0 DEAERO CC(C)CCCNS(=O)(=O)c1ccc(C[NH2+]C2CC2)o1 ZINC000088550709 185257314 /nfs/dbraw/zinc/25/73/14/185257314.db2.gz MJPKRCRZBRGOIW-UHFFFAOYSA-N 1 0 300.424 2.246 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)o1 ZINC000088543358 185256290 /nfs/dbraw/zinc/25/62/90/185256290.db2.gz GTFUJITYHFABLH-CHWSQXEVSA-N 1 0 314.451 2.444 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)CC(C)C)o1 ZINC000088542282 185256462 /nfs/dbraw/zinc/25/64/62/185256462.db2.gz LJBRIYBWSWWRMD-LBPRGKRZSA-N 1 0 302.440 2.492 10 0 DEAERO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2C(N)=S)C1 ZINC000088704635 185262661 /nfs/dbraw/zinc/26/26/61/185262661.db2.gz DTPVKSZSFZUKDM-VXGBXAGGSA-N 1 0 305.447 2.380 10 0 DEAERO C[C@H]1CC[C@H](C)N(S(=O)(=O)c2cccc(F)c2C[NH3+])C1 ZINC000088704750 185262698 /nfs/dbraw/zinc/26/26/98/185262698.db2.gz YGJLMWWVRLZUMF-QWRGUYRKSA-N 1 0 300.399 2.094 10 0 DEAERO Cc1ccccc1S(=O)(=O)N[C@H](C)c1ccc(C[NH3+])cc1 ZINC000088714827 185262765 /nfs/dbraw/zinc/26/27/65/185262765.db2.gz INDRUJWOKGXBFA-CYBMUJFWSA-N 1 0 304.415 2.493 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C(C)C)CC2)o1 ZINC000088551296 185257617 /nfs/dbraw/zinc/25/76/17/185257617.db2.gz JZRXBHYQTZIVSI-ZDUSSCGKSA-N 1 0 314.451 2.446 10 0 DEAERO CCn1ncnc1C[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000088610256 185259876 /nfs/dbraw/zinc/25/98/76/185259876.db2.gz WZGJGVLWUXJOPU-LBPRGKRZSA-N 1 0 309.211 2.173 10 0 DEAERO CCn1ncnc1C[C@@H](C[NH3+])Cc1cccc(Br)c1 ZINC000088620047 185260221 /nfs/dbraw/zinc/26/02/21/185260221.db2.gz HBPPLWPUGOECKQ-LBPRGKRZSA-N 1 0 323.238 2.421 10 0 DEAERO CCn1ncnc1C[C@@H](C[NH3+])Cc1ccccc1Br ZINC000088620116 185260265 /nfs/dbraw/zinc/26/02/65/185260265.db2.gz XPPPXRQUOQYLQR-NSHDSACASA-N 1 0 323.238 2.421 10 0 DEAERO CC[NH2+]CCCNC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000088641301 185260753 /nfs/dbraw/zinc/26/07/53/185260753.db2.gz CVQXGKPGZLQAGM-UHFFFAOYSA-N 1 0 306.435 2.225 10 0 DEAERO CCOC(=O)COC[C@H]([NH3+])c1cc(Br)sc1C ZINC000088648310 185261618 /nfs/dbraw/zinc/26/16/18/185261618.db2.gz GYBGIQWTRKMXOX-VIFPVBQESA-N 1 0 322.224 2.399 10 0 DEAERO C[NH2+][C@H]1c2ccccc2CCC[C@H]1S(=O)(=O)CCCOC ZINC000081985278 192349400 /nfs/dbraw/zinc/34/94/00/192349400.db2.gz APWQVULISPAEGD-CVEARBPZSA-N 1 0 311.447 2.103 10 0 DEAERO COCCCS(=O)(=O)C[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000081985927 192349526 /nfs/dbraw/zinc/34/95/26/192349526.db2.gz WPEXZDPHDJGXLT-HNNXBMFYSA-N 1 0 313.463 2.435 10 0 DEAERO COc1cc(C[N@H+](CCC(=O)NC(C)C)C2CC2)ccc1O ZINC000089971548 185272703 /nfs/dbraw/zinc/27/27/03/185272703.db2.gz WOVPXOZAXMALCN-UHFFFAOYSA-N 1 0 306.406 2.280 10 0 DEAERO CC[C@H]([C@H]([NH2+]C)c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000081989822 192350537 /nfs/dbraw/zinc/35/05/37/192350537.db2.gz WANRGNCJJDLSAD-HZPDHXFCSA-N 1 0 311.447 2.320 10 0 DEAERO [NH3+]C[C@H](c1cc(Cl)ccc1Br)N1CCOCC1 ZINC000090251417 185288073 /nfs/dbraw/zinc/28/80/73/185288073.db2.gz LIQJLRALHGJIEE-GFCCVEGCSA-N 1 0 319.630 2.435 10 0 DEAERO COC(OC)[C@](C)(C[NH3+])Nc1ccc(Br)cc1 ZINC000090266747 185288455 /nfs/dbraw/zinc/28/84/55/185288455.db2.gz OJOCNVNEQZEOQN-LBPRGKRZSA-N 1 0 303.200 2.197 10 0 DEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@@H](O)COC1CCC(C)CC1 ZINC000090272270 185288599 /nfs/dbraw/zinc/28/85/99/185288599.db2.gz RAIPXXOXTIPZHW-MNAZLIDISA-N 1 0 301.471 2.329 10 0 DEAERO CCN(C(=O)c1ccc(F)cc1Br)C1C[NH2+]C1 ZINC000090291204 185289528 /nfs/dbraw/zinc/28/95/28/185289528.db2.gz JMAVQLZCDFQYOP-UHFFFAOYSA-N 1 0 301.159 2.022 10 0 DEAERO CCc1nn(C)c(Cn2cc(C[NH2+]C(C)(C)C)nn2)c1Cl ZINC000090298176 185289881 /nfs/dbraw/zinc/28/98/81/185289881.db2.gz WJUZIRBHZVAJLD-UHFFFAOYSA-N 1 0 310.833 2.164 10 0 DEAERO C[NH2+]Cc1cn(CCOc2c(Cl)cccc2Cl)nn1 ZINC000090295456 185290031 /nfs/dbraw/zinc/29/00/31/185290031.db2.gz HQUIMALOMLWQRA-UHFFFAOYSA-N 1 0 301.177 2.383 10 0 DEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Br)s1 ZINC000090324616 185291112 /nfs/dbraw/zinc/29/11/12/185291112.db2.gz DYYFOXGIYRPADR-IWSPIJDZSA-N 1 0 315.236 2.191 10 0 DEAERO CCOCc1cc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)ccc1OC ZINC000179306641 282223835 /nfs/dbraw/zinc/22/38/35/282223835.db2.gz YLYBJVGMDSGZDO-KRWDZBQOSA-N 1 0 320.433 2.332 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1c1nnc2c(Cl)cc(C(F)(F)F)cn21 ZINC000090422873 185295445 /nfs/dbraw/zinc/29/54/45/185295445.db2.gz NSMFZTCINKYEPI-CBAPKCEASA-N 1 0 320.702 2.103 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)cc1F ZINC000090541133 185301827 /nfs/dbraw/zinc/30/18/27/185301827.db2.gz MVEOJRZVPZBOOJ-GXFFZTMASA-N 1 0 300.761 2.432 10 0 DEAERO Cc1nn(C)c(Cl)c1COc1cc2c(cc1C[NH3+])OCO2 ZINC000166790166 197698913 /nfs/dbraw/zinc/69/89/13/197698913.db2.gz OSPPUSZKOJGNSH-UHFFFAOYSA-N 1 0 309.753 2.148 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]2)cc1 ZINC000166810390 197699024 /nfs/dbraw/zinc/69/90/24/197699024.db2.gz PYNOJHWAXUPNSA-HNNXBMFYSA-N 1 0 310.463 2.306 10 0 DEAERO Cn1cc(C[NH2+][C@H]2CCCc3c2cnn3C)c(C(F)(F)F)n1 ZINC000090666107 185308795 /nfs/dbraw/zinc/30/87/95/185308795.db2.gz WNSLZPSZCCNVOX-NSHDSACASA-N 1 0 313.327 2.340 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)c1ccncc1 ZINC000092363121 185313948 /nfs/dbraw/zinc/31/39/48/185313948.db2.gz SEXFOPYYPKEBJH-GOEBONIOSA-N 1 0 316.449 2.237 10 0 DEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1S(=O)(=O)C(C)C ZINC000092388715 185315393 /nfs/dbraw/zinc/31/53/93/185315393.db2.gz LTHAXVYQLVLWGJ-HZPDHXFCSA-N 1 0 311.447 2.484 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ncccc1C(F)(F)F ZINC000092459005 185320066 /nfs/dbraw/zinc/32/00/66/185320066.db2.gz UIMRMDIAFKPLPS-GHMZBOCLSA-N 1 0 313.323 2.409 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(C(=O)OCC)cc1O)[NH+](C)C ZINC000092551964 185325493 /nfs/dbraw/zinc/32/54/93/185325493.db2.gz CAZVMZSVEGMLIC-ZDUSSCGKSA-N 1 0 308.378 2.238 10 0 DEAERO C[N@@H+]1CCC[C@@H](n2c(N)nc3cc(Br)cnc32)C1 ZINC000092575400 185326855 /nfs/dbraw/zinc/32/68/55/185326855.db2.gz GYCLNUQPYSASEA-SECBINFHSA-N 1 0 310.199 2.043 10 0 DEAERO Cc1ccn2c(C[N@@H+]3CCC[C@@H](CCC(N)=O)C3)cnc2c1 ZINC000092660227 185332028 /nfs/dbraw/zinc/33/20/28/185332028.db2.gz WMEGTCBDDZFMIW-AWEZNQCLSA-N 1 0 300.406 2.120 10 0 DEAERO C[C@@H]([NH3+])Cc1ccc(Sc2nnnn2C)cc1C(F)(F)F ZINC000167611245 197711257 /nfs/dbraw/zinc/71/12/57/197711257.db2.gz DHGVHZQRVYQUEF-SSDOTTSWSA-N 1 0 317.340 2.270 10 0 DEAERO CCCN(CC[NH+](C)C)c1cc2c(cc1Cl)[C@@H](O)C(=O)N2 ZINC000092771409 185339247 /nfs/dbraw/zinc/33/92/47/185339247.db2.gz HGKGKQNQOCMVOU-CQSZACIVSA-N 1 0 311.813 2.104 10 0 DEAERO CC1(C)C(CNS(=O)(=O)c2csc(C[NH3+])c2)C1(C)C ZINC000092833152 185345011 /nfs/dbraw/zinc/34/50/11/185345011.db2.gz VQLBYMULLLWXAD-UHFFFAOYSA-N 1 0 302.465 2.167 10 0 DEAERO [NH3+][C@H]1CCO[C@H]1c1cc(Br)c2c(c1)OCCCO2 ZINC000092888675 185348131 /nfs/dbraw/zinc/34/81/31/185348131.db2.gz NXZTXESMFQLWPV-JQWIXIFHSA-N 1 0 314.179 2.399 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)no1 ZINC000442108183 529712703 /nfs/dbraw/zinc/71/27/03/529712703.db2.gz AOIHUCTXUODUOR-RYUDHWBXSA-N 1 0 323.441 2.039 10 0 DEAERO C[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1Sc1nnc(C)n1C ZINC000092911771 185348455 /nfs/dbraw/zinc/34/84/55/185348455.db2.gz UKEUKTBTKMRZCD-UONOGXRCSA-N 1 0 304.419 2.110 10 0 DEAERO CC[NH2+][C@@H](c1ccc2c(c1)CC(C)(C)O2)[C@@H](C)S(C)(=O)=O ZINC000168325601 197720768 /nfs/dbraw/zinc/72/07/68/197720768.db2.gz NBYBHGAMNQTOME-IAQYHMDHSA-N 1 0 311.447 2.484 10 0 DEAERO CN(CC1CC[NH+](C)CC1)C(=O)c1snnc1C(C)(C)C ZINC000191955235 529865856 /nfs/dbraw/zinc/86/58/56/529865856.db2.gz ATNFFFABSDYPRX-UHFFFAOYSA-N 1 0 310.467 2.249 10 0 DEAERO OC[C@@]1(CCOc2cccc(Br)c2)CC[NH2+]C1 ZINC000097154415 185416743 /nfs/dbraw/zinc/41/67/43/185416743.db2.gz JHJUQKXXXOVEAS-CYBMUJFWSA-N 1 0 300.196 2.190 10 0 DEAERO COc1cc(CN2CCCNC(=O)[C@H]2C)cc(Cl)c1OC ZINC000189086999 282307300 /nfs/dbraw/zinc/30/73/00/282307300.db2.gz MYTDNVIHSQTBIF-SNVBAGLBSA-N 1 0 312.797 2.068 10 0 DEAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2cc(C(N)=O)co2)C1 ZINC000189414785 282309257 /nfs/dbraw/zinc/30/92/57/282309257.db2.gz IACABQHFYRYDID-BBRMVZONSA-N 1 0 313.401 2.304 10 0 DEAERO C[N@@H+]1CCC[C@@]2(CCN(c3ncnc4c3ncn4C3CC3)C2)C1 ZINC000292924491 530059802 /nfs/dbraw/zinc/05/98/02/530059802.db2.gz YUPAEMDGJJDYDB-QGZVFWFLSA-N 1 0 312.421 2.083 10 0 DEAERO CCc1nc(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)cs1 ZINC000107836702 185493852 /nfs/dbraw/zinc/49/38/52/185493852.db2.gz JXZKMFJWRPVVDZ-LBPRGKRZSA-N 1 0 310.467 2.237 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCC1CCCCC1 ZINC000245442856 282388943 /nfs/dbraw/zinc/38/89/43/282388943.db2.gz WRBCCOYCQXCIJO-SJORKVTESA-N 1 0 307.482 2.242 10 0 DEAERO c1ncc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cn1 ZINC000124107324 539467788 /nfs/dbraw/zinc/46/77/88/539467788.db2.gz JNILIHOQZWHCSC-HNNXBMFYSA-N 1 0 312.421 2.174 10 0 DEAERO COc1cc(F)ccc1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246400 185563499 /nfs/dbraw/zinc/56/34/99/185563499.db2.gz CJYBXTHFCZVRTK-GFCCVEGCSA-N 1 0 306.259 2.315 10 0 DEAERO COC(=O)c1sccc1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111245993 185563743 /nfs/dbraw/zinc/56/37/43/185563743.db2.gz WDJSISYEOTWASX-NSHDSACASA-N 1 0 322.308 2.015 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)Nc1c(C(N)=S)c(C)nn1C ZINC000111351509 185585600 /nfs/dbraw/zinc/58/56/00/185585600.db2.gz SAGVAJQZZLUXGT-NSHDSACASA-N 1 0 311.499 2.285 10 0 DEAERO CC[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCCO1 ZINC000133549931 539507247 /nfs/dbraw/zinc/50/72/47/539507247.db2.gz GVNPXHDHOQSNQP-GVDBMIGSSA-N 1 0 304.434 2.233 10 0 DEAERO C[C@@H]([NH3+])Cc1cc(F)ccc1Sc1n[nH]c(=O)n1C1CC1 ZINC000111586204 185615126 /nfs/dbraw/zinc/61/51/26/185615126.db2.gz KJZZKSDBMPVSPP-MRVPVSSYSA-N 1 0 308.382 2.086 10 0 DEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cc(Br)ccc1O ZINC000136488554 539517948 /nfs/dbraw/zinc/51/79/48/539517948.db2.gz JZPAMJJJVYELLF-VIFPVBQESA-N 1 0 301.184 2.467 10 0 DEAERO C[NH2+][C@H](C)C1CCN(S(=O)(=O)CC2CCCCC2)CC1 ZINC000111714389 185629116 /nfs/dbraw/zinc/62/91/16/185629116.db2.gz RUVDEHDYCZUOCG-CYBMUJFWSA-N 1 0 302.484 2.216 10 0 DEAERO CC[NH2+][C@H](C)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000111714648 185629315 /nfs/dbraw/zinc/62/93/15/185629315.db2.gz DBALBKXZWWOXCT-CQSZACIVSA-N 1 0 310.463 2.226 10 0 DEAERO O=C(NCC[NH2+]C1CC1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000151520628 539528127 /nfs/dbraw/zinc/52/81/27/539528127.db2.gz QDIBUCPKZCPQBV-UHFFFAOYSA-N 1 0 304.781 2.008 10 0 DEAERO [NH3+]C[C@@H](NC(=O)N1CCO[C@@H](C2CCCCC2)C1)C1CCCC1 ZINC000333810426 282969191 /nfs/dbraw/zinc/96/91/91/282969191.db2.gz JEMDIZWNWQCQCW-IAGOWNOFSA-N 1 0 323.481 2.495 10 0 DEAERO [NH3+]CC1(NS(=O)(=O)c2cccc3ccccc32)CCCC1 ZINC000123918757 185856393 /nfs/dbraw/zinc/85/63/93/185856393.db2.gz HLCKCNHRCPZWPN-UHFFFAOYSA-N 1 0 304.415 2.390 10 0 DEAERO CC(=O)c1cc(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1F ZINC000625887349 365943423 /nfs/dbraw/zinc/94/34/23/365943423.db2.gz GLEGZQCRMONMJM-CALCHBBNSA-N 1 0 319.380 2.492 10 0 DEAERO C[C@@H]1CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@H](C)[NH2+]1 ZINC000070075738 190855181 /nfs/dbraw/zinc/85/51/81/190855181.db2.gz IAYHQECTITZWHS-OLQVQODUSA-N 1 0 308.250 2.205 10 0 DEAERO C[NH2+]CC[C@H]1CCCCN1S(=O)(=O)c1cc(C)cc(C)c1 ZINC000070192227 190869675 /nfs/dbraw/zinc/86/96/75/190869675.db2.gz MCLZSITYHIGSNI-OAHLLOKOSA-N 1 0 310.463 2.456 10 0 DEAERO C[C@@H]1CCC[C@H](C[NH3+])N1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000070153847 190863568 /nfs/dbraw/zinc/86/35/68/190863568.db2.gz QOPHSDUMEJQHBB-NXEZZACHSA-N 1 0 320.817 2.370 10 0 DEAERO C[C@H]1CCC[C@H](C[NH3+])N1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000070153848 190863573 /nfs/dbraw/zinc/86/35/73/190863573.db2.gz QOPHSDUMEJQHBB-VHSXEESVSA-N 1 0 320.817 2.370 10 0 DEAERO C[C@H]1CC[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000070180984 190868406 /nfs/dbraw/zinc/86/84/06/190868406.db2.gz GUAWKNZGOAOHPV-UWVGGRQHSA-N 1 0 320.817 2.227 10 0 DEAERO COCC[NH2+]CCc1cc(OC)c(OC)cc1Br ZINC000070249748 190875550 /nfs/dbraw/zinc/87/55/50/190875550.db2.gz JYKWKRCXPUYXOB-UHFFFAOYSA-N 1 0 318.211 2.245 10 0 DEAERO CC(C)C[NH2+]C[C@H](O)C[S@@](=O)c1ccc(F)c(Cl)c1 ZINC000126913759 185903677 /nfs/dbraw/zinc/90/36/77/185903677.db2.gz SUBYLLRIHONJFJ-OVWNDWIMSA-N 1 0 307.818 2.193 10 0 DEAERO [NH3+]CCc1nc(-c2ccc(Cl)c(Br)c2)n[nH]1 ZINC000126878853 185899897 /nfs/dbraw/zinc/89/98/97/185899897.db2.gz OZLRJEICJJWABJ-UHFFFAOYSA-N 1 0 301.575 2.389 10 0 DEAERO C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000070394066 190884208 /nfs/dbraw/zinc/88/42/08/190884208.db2.gz FOOWNEWYXXGURQ-GXFFZTMASA-N 1 0 300.399 2.141 10 0 DEAERO CC(C)[NH2+]C[C@H](O)C[S@](=O)c1c(Cl)cccc1Cl ZINC000126988289 185910462 /nfs/dbraw/zinc/91/04/62/185910462.db2.gz UAAIXALKENDSMA-NIVTXAMTSA-N 1 0 310.246 2.460 10 0 DEAERO [NH3+]CC[C@@H]1CNc2ccccc2N1S(=O)(=O)c1ccccc1 ZINC000616684588 362908971 /nfs/dbraw/zinc/90/89/71/362908971.db2.gz MRQYODHVCQVXET-CYBMUJFWSA-N 1 0 317.414 2.025 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000175400068 539623825 /nfs/dbraw/zinc/62/38/25/539623825.db2.gz IRTAMNZIKFKUCV-IUODEOHRSA-N 1 0 315.417 2.105 10 0 DEAERO CC[C@H](C)Oc1cc(C(=O)N2CCC([NH+](C)C)CC2)ccn1 ZINC000180358075 539645131 /nfs/dbraw/zinc/64/51/31/539645131.db2.gz YUHZHALLSNFGDS-ZDUSSCGKSA-N 1 0 305.422 2.425 10 0 DEAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(Cl)cn1 ZINC000180835830 539647121 /nfs/dbraw/zinc/64/71/21/539647121.db2.gz BIDXEVCQROXPNU-CQSZACIVSA-N 1 0 310.829 2.217 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000181628320 539652808 /nfs/dbraw/zinc/65/28/08/539652808.db2.gz PZIPTVVBHLJHCY-LLVKDONJSA-N 1 0 322.359 2.008 10 0 DEAERO CC(=O)N(C)C1CC[NH+](CCN(C)Cc2ccc(F)cc2)CC1 ZINC000181665185 539652912 /nfs/dbraw/zinc/65/29/12/539652912.db2.gz VFGRWORHOIEWNG-UHFFFAOYSA-N 1 0 321.440 2.200 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000182253387 539655897 /nfs/dbraw/zinc/65/58/97/539655897.db2.gz BRIVPJBSSPKJJR-ZDUSSCGKSA-N 1 0 304.390 2.469 10 0 DEAERO C[C@@H]([NH2+]CCOc1cncc(Br)c1)[C@@H]1CCCO1 ZINC000070488208 190902407 /nfs/dbraw/zinc/90/24/07/190902407.db2.gz KZKXAJFPFVFVGZ-MFKMUULPSA-N 1 0 315.211 2.380 10 0 DEAERO NNc1cccc(N2CCN(c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000130000528 185927661 /nfs/dbraw/zinc/92/76/61/185927661.db2.gz VTDGIGJGHDRMNZ-UHFFFAOYSA-N 1 0 303.797 2.347 10 0 DEAERO Cc1nc(CN2CC[NH+](Cc3cccc4cnccc43)CC2)no1 ZINC000183288119 539661197 /nfs/dbraw/zinc/66/11/97/539661197.db2.gz JERMVQYYTJRCJG-UHFFFAOYSA-N 1 0 323.400 2.244 10 0 DEAERO CNC(=O)[C@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)C(C)C ZINC000183645619 539663947 /nfs/dbraw/zinc/66/39/47/539663947.db2.gz NINQAILKYSZBKQ-CYBMUJFWSA-N 1 0 318.339 2.488 10 0 DEAERO O=C1CCCN1C[C@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000185840730 539673240 /nfs/dbraw/zinc/67/32/40/539673240.db2.gz BHMMZZCGNOOGJQ-QGZVFWFLSA-N 1 0 316.445 2.115 10 0 DEAERO Cc1ccc(N2CC[C@H](N3CCC([NH+](C)C)CC3)C2=O)cc1 ZINC000130235239 185948325 /nfs/dbraw/zinc/94/83/25/185948325.db2.gz ZHBXQNGNKQJIIH-KRWDZBQOSA-N 1 0 301.434 2.126 10 0 DEAERO [NH3+]Cc1coc(-c2cccc(I)c2)n1 ZINC000083682498 192377625 /nfs/dbraw/zinc/37/76/25/192377625.db2.gz QTGJHPIHPAITCR-UHFFFAOYSA-N 1 0 300.099 2.405 10 0 DEAERO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC([NH+](C)C)CC1 ZINC000193814061 539715044 /nfs/dbraw/zinc/71/50/44/539715044.db2.gz JJVQOBWZMPITMW-AWEZNQCLSA-N 1 0 321.440 2.199 10 0 DEAERO COCC[NH2+]CCCc1ccc(I)cc1 ZINC000083851466 192387634 /nfs/dbraw/zinc/38/76/34/192387634.db2.gz ILYCAVVOTIJQBR-UHFFFAOYSA-N 1 0 319.186 2.460 10 0 DEAERO CCN(C)C(=O)COc1ccc(C[NH2+]C)cc1C(F)(F)F ZINC000071398570 190967120 /nfs/dbraw/zinc/96/71/20/190967120.db2.gz QCCOWVZLPHHFSZ-UHFFFAOYSA-N 1 0 304.312 2.282 10 0 DEAERO [NH3+]C1(Cc2ccc(I)cc2)CCOCC1 ZINC000083850478 192385959 /nfs/dbraw/zinc/38/59/59/192385959.db2.gz WYQNEAZUHDMSHS-UHFFFAOYSA-N 1 0 317.170 2.342 10 0 DEAERO C[C@@H](O)CC[NH2+]Cc1ccc(I)cc1 ZINC000083849557 192386831 /nfs/dbraw/zinc/38/68/31/192386831.db2.gz XWZBWAYMRGODHC-SECBINFHSA-N 1 0 305.159 2.152 10 0 DEAERO COc1cccc([S@](=O)Cc2cc(C[NH3+])ccc2OC)c1 ZINC000084002953 192395587 /nfs/dbraw/zinc/39/55/87/192395587.db2.gz KIQMIEFZOJAYLT-NRFANRHFSA-N 1 0 305.399 2.470 10 0 DEAERO C[NH2+][C@@H](C[S@@](=O)C1CCOCC1)c1cc(C)ccc1OC ZINC000084054738 192397410 /nfs/dbraw/zinc/39/74/10/192397410.db2.gz IVBDMLGNCIRDSG-BTYIYWSLSA-N 1 0 311.447 2.192 10 0 DEAERO [NH3+][C@H](C[S@](=O)C1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000084054849 192398154 /nfs/dbraw/zinc/39/81/54/192398154.db2.gz NKQUNDZKGKKICE-UCXHXXMCSA-N 1 0 311.491 2.458 10 0 DEAERO CC(C)CC(=O)NCCc1nc2ccccc2n1CC[NH+](C)C ZINC000071482553 190983915 /nfs/dbraw/zinc/98/39/15/190983915.db2.gz RVCSBRCGLYNIQB-UHFFFAOYSA-N 1 0 316.449 2.303 10 0 DEAERO CC(C)(CNC(=O)C1C[NH2+]C1)c1ccccc1Br ZINC000258721482 535096096 /nfs/dbraw/zinc/09/60/96/535096096.db2.gz NKHNGKFLYBETEV-UHFFFAOYSA-N 1 0 311.223 2.062 10 0 DEAERO [NH3+]CC[C@@H](C(F)(F)F)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000084269576 192419191 /nfs/dbraw/zinc/41/91/91/192419191.db2.gz XLMOZKOPXPHWJB-LBPRGKRZSA-N 1 0 307.337 2.229 10 0 DEAERO CC(=O)N1CC(C)(C)Oc2ccc([C@H](O)[C@H]3CCCC[NH2+]3)cc21 ZINC000071664561 191001322 /nfs/dbraw/zinc/00/13/22/191001322.db2.gz UYMFUUXIJGDLLS-PBHICJAKSA-N 1 0 318.417 2.386 10 0 DEAERO CCCC(=O)N(CCC[NH+](CC)CC)C[C@H](C)C(=O)OC ZINC000071603280 190992173 /nfs/dbraw/zinc/99/21/73/190992173.db2.gz XZATXQMNFHVAEG-AWEZNQCLSA-N 1 0 300.443 2.156 10 0 DEAERO COc1ccc(F)c2c1CN(Cc1c(C)nn(C)c1C)[C@H]2C[NH3+] ZINC000071683524 191006767 /nfs/dbraw/zinc/00/67/67/191006767.db2.gz RKHDWFKYJJZQKP-HNNXBMFYSA-N 1 0 318.396 2.200 10 0 DEAERO CC(=O)c1ccccc1NC(=O)Cc1csc(CCC[NH3+])n1 ZINC000071695483 191008096 /nfs/dbraw/zinc/00/80/96/191008096.db2.gz UVHRGZZFDMQOIR-UHFFFAOYSA-N 1 0 317.414 2.418 10 0 DEAERO [NH3+][C@H]1CCC[C@H](S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000084430103 192430211 /nfs/dbraw/zinc/43/02/11/192430211.db2.gz JTUCOKFHVFJQOP-JQWIXIFHSA-N 1 0 318.236 2.493 10 0 DEAERO C[C@@H]([NH3+])CCCC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000133651081 186003507 /nfs/dbraw/zinc/00/35/07/186003507.db2.gz VPXUFMNIVQZBER-LLVKDONJSA-N 1 0 300.349 2.464 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1C(=O)c1ccccc1 ZINC000133643088 186002288 /nfs/dbraw/zinc/00/22/88/186002288.db2.gz ZUPAQHWTIRNWEK-UHFFFAOYSA-N 1 0 322.206 2.438 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)CC)c1 ZINC000138432995 186017150 /nfs/dbraw/zinc/01/71/50/186017150.db2.gz IIQNUDJRNQPFCX-UHFFFAOYSA-N 1 0 306.378 2.105 10 0 DEAERO CC[C@@H]1CCCN1S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138574035 186017562 /nfs/dbraw/zinc/01/75/62/186017562.db2.gz ZDDONFQGROKWEF-LLVKDONJSA-N 1 0 318.389 2.247 10 0 DEAERO C[C@H](NC(=O)C1(C[NH3+])CCOCC1)c1ccc(Cl)s1 ZINC000138161972 186014241 /nfs/dbraw/zinc/01/42/41/186014241.db2.gz JAKATYZMSDHEAB-VIFPVBQESA-N 1 0 302.827 2.334 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c([C@H]3CCCCC[C@H]3[NH3+])nc21 ZINC000138144602 186014350 /nfs/dbraw/zinc/01/43/50/186014350.db2.gz DPPHGFFUQMHOMU-WDEREUQCSA-N 1 0 307.419 2.341 10 0 DEAERO CCc1nc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cs1 ZINC000139495382 186022410 /nfs/dbraw/zinc/02/24/10/186022410.db2.gz WRVCDWWUUIJGNT-OCCSQVGLSA-N 1 0 322.478 2.331 10 0 DEAERO Brc1cccnc1-c1noc(CC[C@H]2CC[NH2+]C2)n1 ZINC000139886021 186024255 /nfs/dbraw/zinc/02/42/55/186024255.db2.gz PQHIHFPVOSAPHH-VIFPVBQESA-N 1 0 323.194 2.436 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1c1nc(-c2ccc(Br)cn2)no1 ZINC000139843584 186024739 /nfs/dbraw/zinc/02/47/39/186024739.db2.gz POHTYZXAMMEPFX-DTWKUNHWSA-N 1 0 309.167 2.489 10 0 DEAERO CC[NH2+][C@@H](C)Cc1nc(-c2ccc(Br)cn2)no1 ZINC000139840943 186024851 /nfs/dbraw/zinc/02/48/51/186024851.db2.gz YOMGIJAUAQMERU-QMMMGPOBSA-N 1 0 311.183 2.435 10 0 DEAERO C[NH2+][C@@H](Cc1ccnc(N)c1)c1ccc(Br)cn1 ZINC000140201581 186026068 /nfs/dbraw/zinc/02/60/68/186026068.db2.gz UZZKRLXANABLGY-LBPRGKRZSA-N 1 0 307.195 2.325 10 0 DEAERO CC[NH2+][C@H](Cc1cccc(OC)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000142362626 186031970 /nfs/dbraw/zinc/03/19/70/186031970.db2.gz DQXYFINFQKEHTR-HUUCEWRRSA-N 1 0 311.447 2.041 10 0 DEAERO COCC[N@@H+]1CC[C@H](CNc2cc(C(C)C)nc3ccnn32)C1 ZINC000072166879 191066277 /nfs/dbraw/zinc/06/62/77/191066277.db2.gz ZVIOWMSPPAGPNQ-CQSZACIVSA-N 1 0 317.437 2.233 10 0 DEAERO CNc1ncc(Br)c(OCC[C@H]2CCC[N@@H+]2C)n1 ZINC000147958717 186042736 /nfs/dbraw/zinc/04/27/36/186042736.db2.gz RNPPWROUEHQWMI-SECBINFHSA-N 1 0 315.215 2.144 10 0 DEAERO CN(CCC[NH+](C)C)Cc1cc(N)cc(Br)c1 ZINC000148066854 186043392 /nfs/dbraw/zinc/04/33/92/186043392.db2.gz WGIIYJQXPMAGHS-UHFFFAOYSA-N 1 0 300.244 2.415 10 0 DEAERO CC(C)[C@@H]1N[C@H](c2cccs2)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000142842720 186032562 /nfs/dbraw/zinc/03/25/62/186032562.db2.gz XWNILNQOCYAEEJ-SNPRPXQTSA-N 1 0 307.463 2.297 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)s1)C[C@H]1CCS(=O)(=O)C1 ZINC000142922486 186033763 /nfs/dbraw/zinc/03/37/63/186033763.db2.gz PHGJVFDPLVWICR-NXEZZACHSA-N 1 0 307.868 2.357 10 0 DEAERO CCn1nc(C)c(Br)c1C[NH2+]C(C)(C)[C@@H](C)O ZINC000144919946 186035788 /nfs/dbraw/zinc/03/57/88/186035788.db2.gz OXYUVOOXDNZGAT-SECBINFHSA-N 1 0 304.232 2.223 10 0 DEAERO CC(C)[C@@H](C[NH+](C)C)N1C(=O)C2(CC2)N[C@H]1c1ccsc1 ZINC000145035139 186036346 /nfs/dbraw/zinc/03/63/46/186036346.db2.gz FGMZJLZRFHTVOP-ZIAGYGMSSA-N 1 0 307.463 2.297 10 0 DEAERO CC(C)[C@H](C[NH+](C)C)N1C(=O)C2(CC2)N[C@H]1c1ccsc1 ZINC000145035304 186036882 /nfs/dbraw/zinc/03/68/82/186036882.db2.gz FGMZJLZRFHTVOP-UONOGXRCSA-N 1 0 307.463 2.297 10 0 DEAERO CCC[NH2+]C1CCN(S(=O)(=O)CCc2ccccc2)CC1 ZINC000149257028 186048565 /nfs/dbraw/zinc/04/85/65/186048565.db2.gz AHKHFQDMAPDCAS-UHFFFAOYSA-N 1 0 310.463 2.023 10 0 DEAERO COc1ccc(OCc2cn3ccsc3n2)c(CC[NH3+])c1 ZINC000149276431 186049251 /nfs/dbraw/zinc/04/92/51/186049251.db2.gz YQEKVKLTSMVDEX-UHFFFAOYSA-N 1 0 303.387 2.485 10 0 DEAERO CN1CCN(C)[C@H](c2nc(-c3ccccc3)c(C[NH3+])s2)C1 ZINC000149411876 186049675 /nfs/dbraw/zinc/04/96/75/186049675.db2.gz BFSRIZCQNCFYEA-ZDUSSCGKSA-N 1 0 302.447 2.187 10 0 DEAERO CCN(C1CC[NH2+]CC1)S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000149495937 186050194 /nfs/dbraw/zinc/05/01/94/186050194.db2.gz IAUFOVBNURFDNI-CQSZACIVSA-N 1 0 310.463 2.194 10 0 DEAERO C[C@H](CS(=O)(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000149491810 186050255 /nfs/dbraw/zinc/05/02/55/186050255.db2.gz HZVQVCWLMXHPSR-CQSZACIVSA-N 1 0 310.463 2.371 10 0 DEAERO C[C@@H](CS(=O)(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2)c1ccccc1 ZINC000149498863 186050422 /nfs/dbraw/zinc/05/04/22/186050422.db2.gz NEUSJCQGLWWHQU-WWTUQBGBSA-N 1 0 308.447 2.074 10 0 DEAERO CCn1nc(C)c(Br)c1C[NH2+][C@H]1CCO[C@H]1C ZINC000149601495 186051499 /nfs/dbraw/zinc/05/14/99/186051499.db2.gz ITSLIONXACGSIS-UWVGGRQHSA-N 1 0 302.216 2.241 10 0 DEAERO CCC[NH2+][C@@H](C)c1sc(C[C@H]2CN(C)CCN2C)nc1C ZINC000149766451 186052471 /nfs/dbraw/zinc/05/24/71/186052471.db2.gz FQOZVTDDZUXSIL-JSGCOSHPSA-N 1 0 310.511 2.300 10 0 DEAERO CCNc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)nc(SC)n1 ZINC000149829139 186053102 /nfs/dbraw/zinc/05/31/02/186053102.db2.gz QDTBIFLMTSQPJH-GFCCVEGCSA-N 1 0 307.467 2.305 10 0 DEAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@@H]3CCS(=O)(=O)C3)sc21 ZINC000150258740 186056189 /nfs/dbraw/zinc/05/61/89/186056189.db2.gz DOVWKPQUHNUXDT-NXEZZACHSA-N 1 0 314.476 2.278 10 0 DEAERO CCOC[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000152401845 186069402 /nfs/dbraw/zinc/06/94/02/186069402.db2.gz USTPMVFFRXLDOF-HZPDHXFCSA-N 1 0 311.470 2.175 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)CSC[C@@H]1CCCCO1 ZINC000171184664 197894221 /nfs/dbraw/zinc/89/42/21/197894221.db2.gz NZHGERRUKHGKCV-KBPBESRZSA-N 1 0 302.484 2.135 10 0 DEAERO COC(=O)c1[nH]c(C)c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1C ZINC000155756663 186109867 /nfs/dbraw/zinc/10/98/67/186109867.db2.gz FODUSZPFOACUED-CYBMUJFWSA-N 1 0 323.437 2.124 10 0 DEAERO Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c(OCC[NH+](C)C)c1 ZINC000155825876 186116005 /nfs/dbraw/zinc/11/60/05/186116005.db2.gz ZVKJEYNVKNBILQ-HIFRSBDPSA-N 1 0 306.406 2.441 10 0 DEAERO C[NH2+]Cc1cc(Cl)cc(S(=O)(=O)NC2CC(C)C2)c1C ZINC000163998146 186145653 /nfs/dbraw/zinc/14/56/53/186145653.db2.gz SUCFDKIAEYAKGR-UHFFFAOYSA-N 1 0 316.854 2.445 10 0 DEAERO CC1CC(NS(=O)(=O)c2c3ccccc3sc2C[NH3+])C1 ZINC000164028418 186146162 /nfs/dbraw/zinc/14/61/62/186146162.db2.gz LSJBLFCVXYYUSE-UHFFFAOYSA-N 1 0 310.444 2.437 10 0 DEAERO Cc1ccc([C@@H](C[NH3+])N2CCOC[C@@H]2C)c(Br)c1 ZINC000164064356 186147620 /nfs/dbraw/zinc/14/76/20/186147620.db2.gz NPCSDJQECSRWTP-SMDDNHRTSA-N 1 0 313.239 2.478 10 0 DEAERO COCCN1C(=[NH2+])NC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000164125002 186149260 /nfs/dbraw/zinc/14/92/60/186149260.db2.gz BOOWZJRAGDVPQH-LLVKDONJSA-N 1 0 305.275 2.162 10 0 DEAERO C[C@H]1C[C@@H](Nc2cc(-n3cnnn3)ccc2Cl)CC[N@@H+]1C ZINC000155911928 186122834 /nfs/dbraw/zinc/12/28/34/186122834.db2.gz GZRJLLKQOFUPRL-QWRGUYRKSA-N 1 0 306.801 2.210 10 0 DEAERO [NH3+]Cc1ccccc1NC(=O)C[S@](=O)c1ccccc1F ZINC000155940911 186124348 /nfs/dbraw/zinc/12/43/48/186124348.db2.gz RDKOVQQMJSXFHQ-OAQYLSRUSA-N 1 0 306.362 2.031 10 0 DEAERO COc1cc(C[NH2+]C[C@@H](C)[S@@](C)=O)cc(Cl)c1OC ZINC000159692731 186135866 /nfs/dbraw/zinc/13/58/66/186135866.db2.gz SLNMNGBDUSLLQT-HOGDKLEQSA-N 1 0 305.827 2.214 10 0 DEAERO CCCn1ncc(Br)c1C(=O)C[C@H]1CCC[NH2+]1 ZINC000164169812 186151217 /nfs/dbraw/zinc/15/12/17/186151217.db2.gz GESANHFHOIIGLL-SECBINFHSA-N 1 0 300.200 2.380 10 0 DEAERO CCN1CCO[C@H](C[NH3+])[C@@H]1c1ccc(C)cc1Br ZINC000164306649 186154969 /nfs/dbraw/zinc/15/49/69/186154969.db2.gz NJEBUPNAIIAYQO-KGLIPLIRSA-N 1 0 313.239 2.478 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2[C@H](C)C[C@H]1S(=O)(=O)CCCOC ZINC000164297015 186155322 /nfs/dbraw/zinc/15/53/22/186155322.db2.gz RZQDNYRMGDTSQM-DAXOMENPSA-N 1 0 311.447 2.274 10 0 DEAERO Cn1c2ccc(S(C)(=O)=O)cc2nc1[C@H]1CCCCC[NH2+]1 ZINC000164371428 186157321 /nfs/dbraw/zinc/15/73/21/186157321.db2.gz YATHURVPDVVYBL-GFCCVEGCSA-N 1 0 307.419 2.182 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2[C@H](C)C[C@@H]1Sc1n[nH]c(=O)n1C ZINC000164365678 186157674 /nfs/dbraw/zinc/15/76/74/186157674.db2.gz QCLMPJCIPJEBCS-JIMOISOXSA-N 1 0 304.419 2.037 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000164412496 186158805 /nfs/dbraw/zinc/15/88/05/186158805.db2.gz IENKHMGIOKLDTL-IUCAKERBSA-N 1 0 300.200 2.223 10 0 DEAERO CC(C)n1ncc(Br)c1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000164405275 186158847 /nfs/dbraw/zinc/15/88/47/186158847.db2.gz XFFZFCJMNVVGHD-VIFPVBQESA-N 1 0 300.200 2.409 10 0 DEAERO CCC[C@H](C(=O)NCCc1nc2ccccc2n1CC)[NH+](C)C ZINC000179693321 186206994 /nfs/dbraw/zinc/20/69/94/186206994.db2.gz UPHFXNPITDFZAY-MRXNPFEDSA-N 1 0 316.449 2.445 10 0 DEAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000183902900 186229294 /nfs/dbraw/zinc/22/92/94/186229294.db2.gz LZIHYEDECMCTMC-KGLIPLIRSA-N 1 0 320.437 2.155 10 0 DEAERO COc1ccc(C)cc1NC(=O)C[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187987912 186239652 /nfs/dbraw/zinc/23/96/52/186239652.db2.gz HTGYJWCYEFOFKV-KBXCAEBGSA-N 1 0 320.433 2.425 10 0 DEAERO CC(C)[C@H](O)CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176490847 535151342 /nfs/dbraw/zinc/15/13/42/535151342.db2.gz KHQPPPYASIAKBB-MRXNPFEDSA-N 1 0 311.470 2.100 10 0 DEAERO CC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1O ZINC000617006716 362993131 /nfs/dbraw/zinc/99/31/31/362993131.db2.gz DTWOBWPFKQDHGR-CYBMUJFWSA-N 1 0 304.390 2.197 10 0 DEAERO CCC(=O)Nc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171889984 198002343 /nfs/dbraw/zinc/00/23/43/198002343.db2.gz CXNSUSHQZHSZDS-HNNXBMFYSA-N 1 0 316.405 2.347 10 0 DEAERO CC1CCC(N(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)CC1 ZINC000172192570 198055484 /nfs/dbraw/zinc/05/54/84/198055484.db2.gz KWMBHTZRNJWQKL-LEOMRAHMSA-N 1 0 319.493 2.336 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000172307493 198077233 /nfs/dbraw/zinc/07/72/33/198077233.db2.gz QRRZNFAXZXROLN-JKSUJKDBSA-N 1 0 306.450 2.073 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H](c2ccccc2)O1 ZINC000333877948 282984662 /nfs/dbraw/zinc/98/46/62/282984662.db2.gz VRJKNLDODIMBKH-PVAVHDDUSA-N 1 0 317.433 2.300 10 0 DEAERO Cc1ncsc1CC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000172535461 198111640 /nfs/dbraw/zinc/11/16/40/198111640.db2.gz QTHQFGMDNYJKCZ-UHFFFAOYSA-N 1 0 317.462 2.385 10 0 DEAERO COCCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000172617195 198124548 /nfs/dbraw/zinc/12/45/48/198124548.db2.gz QNVHCVQVBHYKLC-GOEBONIOSA-N 1 0 320.433 2.267 10 0 DEAERO C[C@H](C(=O)NCc1ccccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172803064 198151005 /nfs/dbraw/zinc/15/10/05/198151005.db2.gz QKEKFJKKRVZJIO-GDBMZVCRSA-N 1 0 319.424 2.001 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802771 198151190 /nfs/dbraw/zinc/15/11/90/198151190.db2.gz LZHXBDAAWPOZPU-GXTWGEPZSA-N 1 0 322.840 2.232 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000072897226 191249669 /nfs/dbraw/zinc/24/96/69/191249669.db2.gz MMDRLBYEYRRRIQ-KGLIPLIRSA-N 1 0 317.433 2.447 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccccc2F)[C@H](C)C1 ZINC000173257604 198202608 /nfs/dbraw/zinc/20/26/08/198202608.db2.gz CCIZOMYJUGENNI-TZMCWYRMSA-N 1 0 314.426 2.177 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccccc2F)CC[N@@H+]1C ZINC000173269525 198204618 /nfs/dbraw/zinc/20/46/18/198204618.db2.gz KQVGHWDQZCBYKL-OCCSQVGLSA-N 1 0 314.426 2.070 10 0 DEAERO Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000173365605 198206962 /nfs/dbraw/zinc/20/69/62/198206962.db2.gz FRHRQALAWKDYAU-HNNXBMFYSA-N 1 0 313.405 2.252 10 0 DEAERO CCOc1ncc(C)cc1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333279819 539954573 /nfs/dbraw/zinc/95/45/73/539954573.db2.gz MESOHBXEXSVPNE-UHFFFAOYSA-N 1 0 304.394 2.149 10 0 DEAERO COC[C@H](C)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000173518899 198223362 /nfs/dbraw/zinc/22/33/62/198223362.db2.gz SZKPJXIMQXXGJR-JKSUJKDBSA-N 1 0 304.434 2.392 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCCCn1ccnc1C ZINC000173831574 198258903 /nfs/dbraw/zinc/25/89/03/198258903.db2.gz WOLPOZCDQUJKLD-AWEZNQCLSA-N 1 0 309.458 2.001 10 0 DEAERO CCCNC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174018597 198281141 /nfs/dbraw/zinc/28/11/41/198281141.db2.gz RMXFDLPTMQNESN-QGZVFWFLSA-N 1 0 319.449 2.141 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000174073301 198287940 /nfs/dbraw/zinc/28/79/40/198287940.db2.gz AJOHKNQWLNTFFQ-KRWDZBQOSA-N 1 0 315.417 2.230 10 0 DEAERO CCOC(=O)C[C@@H](NC(=O)C[NH+](CC)CC)c1ccccc1C ZINC000174675186 198368682 /nfs/dbraw/zinc/36/86/82/198368682.db2.gz PSMBLZVURLCNFK-MRXNPFEDSA-N 1 0 320.433 2.447 10 0 DEAERO C[NH+]1CCC(C(=O)Nc2nc(-c3ccccn3)cs2)CC1 ZINC000174716374 198373784 /nfs/dbraw/zinc/37/37/84/198373784.db2.gz WMWOBZAFEYUHRF-UHFFFAOYSA-N 1 0 302.403 2.485 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C12CC3CC(CC(C3)C1)C2 ZINC000261619961 299212550 /nfs/dbraw/zinc/21/25/50/299212550.db2.gz CCWWSNAGFFBZPA-XFLPPJTOSA-N 1 0 306.450 2.214 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CC[NH+](CC(C)C)CC1 ZINC000049969041 354364671 /nfs/dbraw/zinc/36/46/71/354364671.db2.gz PARABOLFRWVOAD-UHFFFAOYSA-N 1 0 317.477 2.309 10 0 DEAERO C[C@@H](CCNC(=O)N(C)[C@@H](C)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000182712084 199479275 /nfs/dbraw/zinc/47/92/75/199479275.db2.gz YLSJQKRIYVJLHO-GJZGRUSLSA-N 1 0 321.469 2.387 10 0 DEAERO COCCC[N@H+](C)CC(=O)N1CCC[C@@H]1c1cccc(OC)c1 ZINC000066378538 354712341 /nfs/dbraw/zinc/71/23/41/354712341.db2.gz WVGYNXMTAXACHC-QGZVFWFLSA-N 1 0 320.433 2.327 10 0 DEAERO COCCc1nnc(C2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000065287331 354681509 /nfs/dbraw/zinc/68/15/09/354681509.db2.gz MSJYHTLQKYUJBW-UHFFFAOYSA-N 1 0 314.433 2.416 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2cnc(-c3ccccc3)nc2)CC1 ZINC000066915490 354739566 /nfs/dbraw/zinc/73/95/66/354739566.db2.gz ISNBJJXEPDEWRI-UHFFFAOYSA-N 1 0 310.401 2.310 10 0 DEAERO CC(C)[N@@H+]1CC[C@@H](Nc2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000069000717 354843601 /nfs/dbraw/zinc/84/36/01/354843601.db2.gz MBQKASZQRFJULX-SECBINFHSA-N 1 0 314.315 2.038 10 0 DEAERO CN(CC1C[NH+](C)C1)C(=O)c1sccc1Br ZINC000618195650 363411263 /nfs/dbraw/zinc/41/12/63/363411263.db2.gz SKEUBHOIONQTGJ-UHFFFAOYSA-N 1 0 303.225 2.144 10 0 DEAERO c1[nH+]cn2ccc(-c3noc(-c4nnc5ccccc5n4)n3)cc12 ZINC000350478913 540041577 /nfs/dbraw/zinc/04/15/77/540041577.db2.gz UUUGMWQCIOVODQ-UHFFFAOYSA-N 1 0 315.296 2.390 10 0 DEAERO O=C1[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CCN1C1CCOCC1 ZINC000358202735 540095855 /nfs/dbraw/zinc/09/58/55/540095855.db2.gz MXSVAWKVSPXSIR-IAGOWNOFSA-N 1 0 318.392 2.183 10 0 DEAERO C[C@H]1CC[C@H](C)[N@H+](CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000076150155 355130305 /nfs/dbraw/zinc/13/03/05/355130305.db2.gz RUUJALDWOTUIMR-HOTGVXAUSA-N 1 0 323.481 2.016 10 0 DEAERO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@@H](C)C3CC3)CC2)c1 ZINC000074766667 191357046 /nfs/dbraw/zinc/35/70/46/191357046.db2.gz PDTOVTJHTIGVDE-ZDUSSCGKSA-N 1 0 318.417 2.260 10 0 DEAERO CO[C@H](CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C(C)(C)C ZINC000073722903 191347539 /nfs/dbraw/zinc/34/75/39/191347539.db2.gz RZMFYWZTTFQTSF-UONOGXRCSA-N 1 0 301.475 2.323 10 0 DEAERO C[NH+]1CCC(CC(=O)Nc2ccccc2N2CCOCC2)CC1 ZINC000074921043 191388857 /nfs/dbraw/zinc/38/88/57/191388857.db2.gz HNTKNCAULAWYDD-UHFFFAOYSA-N 1 0 317.433 2.194 10 0 DEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]2CCCO2)o1 ZINC000079620053 355322424 /nfs/dbraw/zinc/32/24/24/355322424.db2.gz OUMGWUZITRMJJB-ZBFHGGJFSA-N 1 0 323.437 2.229 10 0 DEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390871151 540135139 /nfs/dbraw/zinc/13/51/39/540135139.db2.gz GEJOIMPWFBOQNJ-QZTJIDSGSA-N 1 0 320.477 2.274 10 0 DEAERO Cc1cncc(CC[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000402863370 540143745 /nfs/dbraw/zinc/14/37/45/540143745.db2.gz YPQWLXXXQWZJEA-BEFAXECRSA-N 1 0 310.445 2.438 10 0 DEAERO C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000401705861 540141396 /nfs/dbraw/zinc/14/13/96/540141396.db2.gz DNOWNKJARZZPHR-GMSGAONNSA-N 1 0 310.703 2.113 10 0 DEAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000401705862 540141760 /nfs/dbraw/zinc/14/17/60/540141760.db2.gz DNOWNKJARZZPHR-OIBJUYFYSA-N 1 0 310.703 2.113 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1sccc1Br ZINC000085903817 355498369 /nfs/dbraw/zinc/49/83/69/355498369.db2.gz WZBKPYLUPQEMBB-NSHDSACASA-N 1 0 308.241 2.388 10 0 DEAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000077423434 191712740 /nfs/dbraw/zinc/71/27/40/191712740.db2.gz BYNJJJNKVLQFRW-DTWKUNHWSA-N 1 0 316.195 2.284 10 0 DEAERO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]C1CCCC1 ZINC000113311953 355758307 /nfs/dbraw/zinc/75/83/07/355758307.db2.gz WBUWJBCVOBTQRE-UHFFFAOYSA-N 1 0 306.454 2.412 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)CCCc2nc(C3CC3)no2)CC[N@@H+]1C ZINC000127546461 355822741 /nfs/dbraw/zinc/82/27/41/355822741.db2.gz SULTVRNJMCPGBI-TZMCWYRMSA-N 1 0 320.437 2.211 10 0 DEAERO CSCCCCNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000131270989 355846634 /nfs/dbraw/zinc/84/66/34/355846634.db2.gz AUTJPDCPIFVHFB-UHFFFAOYSA-N 1 0 321.490 2.487 10 0 DEAERO O=C1CSC(=O)N1CCCC[NH2+]CCOc1ccccc1 ZINC000168131347 355978342 /nfs/dbraw/zinc/97/83/42/355978342.db2.gz JLIKGWPBYNMZNQ-UHFFFAOYSA-N 1 0 308.403 2.131 10 0 DEAERO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)C1CCOCC1 ZINC000179839665 356035283 /nfs/dbraw/zinc/03/52/83/356035283.db2.gz FXHXGVQWRIAWQZ-ZDUSSCGKSA-N 1 0 300.406 2.387 10 0 DEAERO CC(C)CC[C@H]([NH2+]C[C@H](O)CN1CCOCC1)C(C)(C)C ZINC000179904227 356035919 /nfs/dbraw/zinc/03/59/19/356035919.db2.gz YSRXSVWUEYEUEW-HOTGVXAUSA-N 1 0 300.487 2.120 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)N(C)CC3)C1 ZINC000180224393 356045258 /nfs/dbraw/zinc/04/52/58/356045258.db2.gz QEIDNEZEVYDGPK-OAHLLOKOSA-N 1 0 302.422 2.285 10 0 DEAERO CNc1cc(N2CCC[C@H]2C[NH2+]C(C2CC2)C2CC2)ncn1 ZINC000180576343 356053063 /nfs/dbraw/zinc/05/30/63/356053063.db2.gz WANVOMULPOAFRF-AWEZNQCLSA-N 1 0 301.438 2.265 10 0 DEAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccoc2)ncn1 ZINC000180572784 356053081 /nfs/dbraw/zinc/05/30/81/356053081.db2.gz OUEDEORRBBDWRD-JSGCOSHPSA-N 1 0 301.394 2.431 10 0 DEAERO CC[C@H]1CCCCCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179311927 356020236 /nfs/dbraw/zinc/02/02/36/356020236.db2.gz YMPKTRAOTBFTKK-INIZCTEOSA-N 1 0 324.513 2.377 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(-n2ccnn2)cc1 ZINC000182051071 356107407 /nfs/dbraw/zinc/10/74/07/356107407.db2.gz KWNDHCFXFFSNQL-XJKSGUPXSA-N 1 0 318.421 2.094 10 0 DEAERO NC(=[NH2+])Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000079783153 191971871 /nfs/dbraw/zinc/97/18/71/191971871.db2.gz LYXMHHDWTODXOB-UHFFFAOYSA-N 1 0 307.350 2.105 10 0 DEAERO NC(=[NH2+])C1(NS(=O)(=O)c2ccccc2)CCCCCCC1 ZINC000079786501 191972915 /nfs/dbraw/zinc/97/29/15/191972915.db2.gz WPOVWWQBVMFXCX-UHFFFAOYSA-N 1 0 309.435 2.384 10 0 DEAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(Cl)cc2[nH]cnc21 ZINC000005491129 181249154 /nfs/dbraw/zinc/24/91/54/181249154.db2.gz ZSVQUSFCJUITKQ-CYBMUJFWSA-N 1 0 304.781 2.040 10 0 DEAERO CC(C)(C[NH2+][C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2)NS(C)(=O)=O ZINC000080143072 192005032 /nfs/dbraw/zinc/00/50/32/192005032.db2.gz BBDWAQUPWBNAIN-JMSVASOKSA-N 1 0 302.484 2.119 10 0 DEAERO Cc1nnc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1C1CC1 ZINC000183085685 356159969 /nfs/dbraw/zinc/15/99/69/356159969.db2.gz XTMFHOYQGJLLGJ-QGZVFWFLSA-N 1 0 311.433 2.410 10 0 DEAERO COc1c2cnn(C)c2ncc1C(=O)Nc1ccc(C)nc1C ZINC000183079000 356160218 /nfs/dbraw/zinc/16/02/18/356160218.db2.gz QKOYXCUGNCGZOZ-UHFFFAOYSA-N 1 0 311.345 2.241 10 0 DEAERO CC[C@](C)(CO)[NH2+]CC(=O)Nc1ccccc1Br ZINC000080108419 192001639 /nfs/dbraw/zinc/00/16/39/192001639.db2.gz JNFUFIHAAOZJIR-CYBMUJFWSA-N 1 0 315.211 2.138 10 0 DEAERO CC[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1nccs1 ZINC000080268799 192018712 /nfs/dbraw/zinc/01/87/12/192018712.db2.gz PTJBHQTXRQAXFV-ZIAGYGMSSA-N 1 0 301.415 2.425 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+]CCCn1ccnn1)CCCO2 ZINC000184262411 356188744 /nfs/dbraw/zinc/18/87/44/356188744.db2.gz VFSLDLIFUPTEMK-HNNXBMFYSA-N 1 0 302.378 2.180 10 0 DEAERO COCCOc1ccc([C@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000184276182 356189149 /nfs/dbraw/zinc/18/91/49/356189149.db2.gz ASIVDWAOCCVPOI-AWEZNQCLSA-N 1 0 304.394 2.044 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000184797401 356197769 /nfs/dbraw/zinc/19/77/69/356197769.db2.gz ONLHEILISFBLBV-UHFFFAOYSA-N 1 0 303.366 2.152 10 0 DEAERO C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC1)c1ccc2c(c1)OCO2 ZINC000185104429 356201955 /nfs/dbraw/zinc/20/19/55/356201955.db2.gz GFFHTKCBCZMISK-LBPRGKRZSA-N 1 0 319.405 2.212 10 0 DEAERO Cc1cccc(CNC(=O)NCC2(C[NH+](C)C)CCCC2)n1 ZINC000185484275 356206725 /nfs/dbraw/zinc/20/67/25/356206725.db2.gz DCWFPBHADUICLB-UHFFFAOYSA-N 1 0 304.438 2.311 10 0 DEAERO COCCC[N@H+](CCOC)C[C@H](C(N)=S)c1ccccc1 ZINC000080797272 192192453 /nfs/dbraw/zinc/19/24/53/192192453.db2.gz UFVYCFKAEGCNFL-HNNXBMFYSA-N 1 0 310.463 2.041 10 0 DEAERO COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccnn2C)cc1 ZINC000225546086 356276557 /nfs/dbraw/zinc/27/65/57/356276557.db2.gz JXTZPCVZWCWXAV-MSOLQXFVSA-N 1 0 315.417 2.301 10 0 DEAERO [NH3+]Cc1cncc(OC(F)(F)F)c1I ZINC000238572026 356304230 /nfs/dbraw/zinc/30/42/30/356304230.db2.gz HWSTUKIOVFMPMP-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO COC[C@@H](C)C[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000249939128 356332116 /nfs/dbraw/zinc/33/21/16/356332116.db2.gz SPZWSDJXTGWVGA-ZFWWWQNUSA-N 1 0 311.495 2.488 10 0 DEAERO COC[C@@H]1CCN([C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000081042128 192218562 /nfs/dbraw/zinc/21/85/62/192218562.db2.gz VTLUUYDUTPMQIV-RISCZKNCSA-N 1 0 313.239 2.417 10 0 DEAERO COC[C@@H]1CCN([C@@H](C[NH3+])c2ccc(Br)s2)C1 ZINC000081041420 192218580 /nfs/dbraw/zinc/21/85/80/192218580.db2.gz YPFIUCLKXLQXGG-ZJUUUORDSA-N 1 0 319.268 2.479 10 0 DEAERO COC[C@H]1CCN([C@@H](C[NH3+])c2cc3c(c(Cl)c2)OCO3)C1 ZINC000081049297 192219350 /nfs/dbraw/zinc/21/93/50/192219350.db2.gz IDCPYOGHVYWEEL-GWCFXTLKSA-N 1 0 312.797 2.037 10 0 DEAERO COC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(N)cc2Cl)C1 ZINC000081042093 192219409 /nfs/dbraw/zinc/21/94/09/192219409.db2.gz FPXBQBRWMMWLPS-LLVKDONJSA-N 1 0 311.813 2.219 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1[NH2+]Cc1ccccc1 ZINC000300227983 356390222 /nfs/dbraw/zinc/39/02/22/356390222.db2.gz ZVXRDYBDPDMHIX-XUWVNRHRSA-N 1 0 318.417 2.457 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400465875 283156984 /nfs/dbraw/zinc/15/69/84/283156984.db2.gz VWZCFFGGNRAPTO-ZOBORPQBSA-N 1 0 300.443 2.238 10 0 DEAERO CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000400460058 283157055 /nfs/dbraw/zinc/15/70/55/283157055.db2.gz UGPNLICXDQDERL-ILXRZTDVSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400499468 283157627 /nfs/dbraw/zinc/15/76/27/283157627.db2.gz ICXWIJSDHBPEAF-STQMWFEESA-N 1 0 308.426 2.155 10 0 DEAERO CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCSC2)nn1 ZINC000328606416 356459653 /nfs/dbraw/zinc/45/96/53/356459653.db2.gz RMAXDQSPTFNTCE-RWMBFGLXSA-N 1 0 310.467 2.084 10 0 DEAERO C[C@@H]1CC(Nc2cc(N[C@H]3CCCOC3)ncn2)C[C@@H](C)O1 ZINC000328626871 356463243 /nfs/dbraw/zinc/46/32/43/356463243.db2.gz FOEYKKSPBYKWFW-UPJWGTAASA-N 1 0 306.410 2.435 10 0 DEAERO CC1CC[NH+](CCCc2noc([C@@H](N)C3CCOCC3)n2)CC1 ZINC000328630556 356463540 /nfs/dbraw/zinc/46/35/40/356463540.db2.gz JNGSQNBFRMLBAL-INIZCTEOSA-N 1 0 322.453 2.161 10 0 DEAERO CC(C)=CCC[C@H](C)[NH2+]C1CCN(c2nccn(C)c2=O)CC1 ZINC000328629578 356464221 /nfs/dbraw/zinc/46/42/21/356464221.db2.gz IIZIVYSPRGLWCA-HNNXBMFYSA-N 1 0 318.465 2.474 10 0 DEAERO CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1ccnc(N(C)C)c1)C1CC1 ZINC000328635963 356465027 /nfs/dbraw/zinc/46/50/27/356465027.db2.gz NVGLHALMZMKWHA-KRWDZBQOSA-N 1 0 316.449 2.123 10 0 DEAERO C[NH2+][C@H](CCN1CCn2cnnc2C1)c1cccc(Cl)c1 ZINC000081541531 192286649 /nfs/dbraw/zinc/28/66/49/192286649.db2.gz KJNFJMHIPNZOAY-CQSZACIVSA-N 1 0 305.813 2.098 10 0 DEAERO CCC[NH2+]CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000236849258 202037079 /nfs/dbraw/zinc/03/70/79/202037079.db2.gz WGWJILVKEDWOGD-DOMZBBRYSA-N 1 0 303.406 2.011 10 0 DEAERO C[NH2+]C1CC(Oc2cccc(I)c2)C1 ZINC000085523794 192514307 /nfs/dbraw/zinc/51/43/07/192514307.db2.gz NTFBTGSMBOEPBC-UHFFFAOYSA-N 1 0 303.143 2.420 10 0 DEAERO CC[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1CCCS(C)(=O)=O ZINC000085529836 192514820 /nfs/dbraw/zinc/51/48/20/192514820.db2.gz JVSHIZRHXJLLOZ-HZPDHXFCSA-N 1 0 316.511 2.054 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)c1cc(OC)c(OC)c(OC)c1 ZINC000236941443 202083242 /nfs/dbraw/zinc/08/32/42/202083242.db2.gz LQGMRVUCOCVGMT-QMTHXVAHSA-N 1 0 310.394 2.049 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1n[nH]c(-c2ccccc2Cl)n1 ZINC000236922891 202073261 /nfs/dbraw/zinc/07/32/61/202073261.db2.gz CUPMPPWETHWXPS-GZMMTYOYSA-N 1 0 307.785 2.437 10 0 DEAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000086025655 192545295 /nfs/dbraw/zinc/54/52/95/192545295.db2.gz WAJMMUXEODQVJR-HZMBPMFUSA-N 1 0 319.829 2.434 10 0 DEAERO C[NH2+]C[C@H](C)C(=O)Nc1ccccc1I ZINC000086065292 192546433 /nfs/dbraw/zinc/54/64/33/192546433.db2.gz XNEVYTPYVKEVRQ-QMMMGPOBSA-N 1 0 318.158 2.085 10 0 DEAERO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCn1cncn1 ZINC000381820491 356672820 /nfs/dbraw/zinc/67/28/20/356672820.db2.gz UMISPWVLJIMZAK-KGLIPLIRSA-N 1 0 323.441 2.046 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000384057931 356681334 /nfs/dbraw/zinc/68/13/34/356681334.db2.gz ZTEGNGYPIQCWQT-RHSMWYFYSA-N 1 0 302.418 2.050 10 0 DEAERO C[C@@]1(C(=O)NCc2ccsc2Br)CCC[NH2+]1 ZINC000388391048 356705962 /nfs/dbraw/zinc/70/59/62/356705962.db2.gz CBBYEDBRGZSBFR-NSHDSACASA-N 1 0 303.225 2.269 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)ccc1OC(F)F ZINC000386351326 356695842 /nfs/dbraw/zinc/69/58/42/356695842.db2.gz YIYSAUXIRPHTPL-CMPLNLGQSA-N 1 0 301.333 2.499 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(F)c1 ZINC000400257480 356722827 /nfs/dbraw/zinc/72/28/27/356722827.db2.gz RAFDDJKDSVWSOA-GXSJLCMTSA-N 1 0 320.817 2.164 10 0 DEAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000393926512 356713467 /nfs/dbraw/zinc/71/34/67/356713467.db2.gz HEZPJYOHQDJBCG-UHOSZYNNSA-N 1 0 320.477 2.417 10 0 DEAERO CC[C@@](C)(O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000087027951 192612841 /nfs/dbraw/zinc/61/28/41/192612841.db2.gz OAAHTWYYEXVUIF-CHWSQXEVSA-N 1 0 302.212 2.233 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(Br)s2)C1 ZINC000087040740 192616528 /nfs/dbraw/zinc/61/65/28/192616528.db2.gz BZAGCTVZHYKQCL-HTQZYQBOSA-N 1 0 303.225 2.320 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3nccnc3C)[C@@H]2C1 ZINC000579400819 356968775 /nfs/dbraw/zinc/96/87/75/356968775.db2.gz ALDFCKCIURPGDH-HNKHHVNMSA-N 1 0 302.422 2.083 10 0 DEAERO Cc1noc(CC[NH2+][C@H](C)c2cncc(Br)c2)n1 ZINC000581083603 357128893 /nfs/dbraw/zinc/12/88/93/357128893.db2.gz VNBPQWGGYKKEGD-MRVPVSSYSA-N 1 0 311.183 2.429 10 0 DEAERO CC[NH2+]CCc1ccc(S(=O)(=O)N2CCC[C@H]2CC)s1 ZINC000088972833 192675800 /nfs/dbraw/zinc/67/58/00/192675800.db2.gz QZPSYQNPFPFWHT-GFCCVEGCSA-N 1 0 316.492 2.463 10 0 DEAERO C[NH2+]Cc1ccc(C)c(S(=O)(=O)NC(C2CC2)C2CC2)c1 ZINC000088999145 192689930 /nfs/dbraw/zinc/68/99/30/192689930.db2.gz UMSYMGXOISDDSY-UHFFFAOYSA-N 1 0 308.447 2.181 10 0 DEAERO O=c1ccccn1CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590819546 357620196 /nfs/dbraw/zinc/62/01/96/357620196.db2.gz WMHGMVVHLZKCKI-SFHVURJKSA-N 1 0 317.477 2.436 10 0 DEAERO O=S1(=O)CCCN1CCC[NH2+]Cc1csc2ccccc12 ZINC000591717026 357753286 /nfs/dbraw/zinc/75/32/86/357753286.db2.gz UEJSQFFYJCXCSX-UHFFFAOYSA-N 1 0 324.471 2.417 10 0 DEAERO Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@@H]3Cn3ccnc3)cc12 ZINC000179271566 199008033 /nfs/dbraw/zinc/00/80/33/199008033.db2.gz RWWFHCINOZSBRE-OAHLLOKOSA-N 1 0 310.405 2.138 10 0 DEAERO Cc1ccc2c(c1)[C@H](NC(=O)NCCNc1cc[nH+]cc1)CC2 ZINC000592550838 357901054 /nfs/dbraw/zinc/90/10/54/357901054.db2.gz IHNUNRNMTOGHQG-QGZVFWFLSA-N 1 0 310.401 2.211 10 0 DEAERO c1nnn(Cc2ccccc2)c1CNCCC[NH+]1CCCCC1 ZINC000490582540 283305560 /nfs/dbraw/zinc/30/55/60/283305560.db2.gz UPBZCOZTESMTAT-UHFFFAOYSA-N 1 0 313.449 2.292 10 0 DEAERO COC[C@@H]([NH2+][C@@H](CC(C)C)c1nc(-c2nc[nH]n2)no1)C(C)C 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COC[C@@](C)(CCO)[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000185301233 199835264 /nfs/dbraw/zinc/83/52/64/199835264.db2.gz SAGCNPOUTXZIOE-CXAGYDPISA-N 1 0 313.413 2.390 10 0 DEAERO CCn1cc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000180934963 199230610 /nfs/dbraw/zinc/23/06/10/199230610.db2.gz KSCIFZCHRKYPNC-DZGCQCFKSA-N 1 0 300.410 2.013 10 0 DEAERO NC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000281186155 283384033 /nfs/dbraw/zinc/38/40/33/283384033.db2.gz IAFDPQYAQUYMQF-BRWVUGGUSA-N 1 0 302.418 2.301 10 0 DEAERO CCOCc1cccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000181195928 199263423 /nfs/dbraw/zinc/26/34/23/199263423.db2.gz OUBKCFQGHPZFBJ-INIZCTEOSA-N 1 0 321.421 2.017 10 0 DEAERO C[NH2+]Cc1cccc(CS(=O)(=O)N2CCC[C@H](C)CC2)c1 ZINC000089036812 192713389 /nfs/dbraw/zinc/71/33/89/192713389.db2.gz RHDSXQJGZKXYGC-AWEZNQCLSA-N 1 0 310.463 2.358 10 0 DEAERO Cc1nc(C[C@H](C[NH2+]C(C)C)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000089254470 192751604 /nfs/dbraw/zinc/75/16/04/192751604.db2.gz QYBKIPCKKKEFCW-QWHCGFSZSA-N 1 0 316.492 2.043 10 0 DEAERO CCn1nc(C)c(Br)c1COC1CC[NH2+]CC1 ZINC000089280074 192757951 /nfs/dbraw/zinc/75/79/51/192757951.db2.gz QOCSWLJIUYQXNC-UHFFFAOYSA-N 1 0 302.216 2.243 10 0 DEAERO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186726577 199998328 /nfs/dbraw/zinc/99/83/28/199998328.db2.gz VFCDKCNFKFWNMK-GXSJLCMTSA-N 1 0 305.403 2.439 10 0 DEAERO C[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC1(CO)CC1 ZINC000186783827 200010442 /nfs/dbraw/zinc/01/04/42/200010442.db2.gz LXVKUFOCZNRCJX-CQSZACIVSA-N 1 0 317.351 2.313 10 0 DEAERO C[C@@H](NC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC1)c1ccccc1 ZINC000186788403 200010935 /nfs/dbraw/zinc/01/09/35/200010935.db2.gz NGAQYVRAENAMQA-HUUCEWRRSA-N 1 0 303.450 2.278 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2cc(F)ccc2OC)C1 ZINC000187068434 200055456 /nfs/dbraw/zinc/05/54/56/200055456.db2.gz KLHLLKGNHVFUSF-AWEZNQCLSA-N 1 0 309.385 2.118 10 0 DEAERO COC(=O)c1ccccc1CC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000187120109 200065023 /nfs/dbraw/zinc/06/50/23/200065023.db2.gz UUGZYJVSDCNLDA-GOEBONIOSA-N 1 0 304.434 2.430 10 0 DEAERO CN1C(=O)CCc2cc(C[NH2+][C@H]3CCCC[C@@H]3CO)ccc21 ZINC000187256185 200083802 /nfs/dbraw/zinc/08/38/02/200083802.db2.gz UXDYLQDDXGJZCO-CVEARBPZSA-N 1 0 302.418 2.236 10 0 DEAERO CC(C)NC(=O)c1ccccc1NC(=O)c1coc(C[NH3+])c1 ZINC000187314653 200093825 /nfs/dbraw/zinc/09/38/25/200093825.db2.gz PYGLKFYVJRPPFC-UHFFFAOYSA-N 1 0 301.346 2.129 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187809630 200160229 /nfs/dbraw/zinc/16/02/29/200160229.db2.gz INIMFVFUTKXXCA-NVXWUHKLSA-N 1 0 319.449 2.185 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000187909541 200174954 /nfs/dbraw/zinc/17/49/54/200174954.db2.gz GTBFIGODVIGNAC-ZDUSSCGKSA-N 1 0 323.412 2.318 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2cc(F)ccc2F)C1 ZINC000187910514 200174963 /nfs/dbraw/zinc/17/49/63/200174963.db2.gz XLOHOQZFACMPPN-MEDUHNTESA-N 1 0 312.360 2.386 10 0 DEAERO CO[C@H]1C[N@H+](Cc2ccccc2OCC(=O)N(C)C)CC[C@@H]1C ZINC000188328859 200228614 /nfs/dbraw/zinc/22/86/14/200228614.db2.gz UWLRDJXDCIFIHM-YOEHRIQHSA-N 1 0 320.433 2.010 10 0 DEAERO Cn1cc(C[NH2+]CCOCC2CCC2)c(-c2ccncc2)n1 ZINC000515568840 283489877 /nfs/dbraw/zinc/48/98/77/283489877.db2.gz YPACPSZIVXASQL-UHFFFAOYSA-N 1 0 300.406 2.388 10 0 DEAERO COc1ccc(F)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1OC ZINC000188568602 200267651 /nfs/dbraw/zinc/26/76/51/200267651.db2.gz FEHOPYPHGAYUEM-AAEUAGOBSA-N 1 0 324.396 2.301 10 0 DEAERO COC(=O)COc1c(C)cc(C[N@H+](C)CC2(CO)CC2)cc1C ZINC000188956792 200327168 /nfs/dbraw/zinc/32/71/68/200327168.db2.gz JNNJMNCLBCAKSZ-UHFFFAOYSA-N 1 0 321.417 2.060 10 0 DEAERO C[C@@H](O)C1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000189023348 200337925 /nfs/dbraw/zinc/33/79/25/200337925.db2.gz SPAKEBIREKFERY-OAHLLOKOSA-N 1 0 316.445 2.054 10 0 DEAERO COc1ccc2[nH]c(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)cc2c1 ZINC000189285386 200375884 /nfs/dbraw/zinc/37/58/84/200375884.db2.gz ABLYZWGTSOULGU-GXTWGEPZSA-N 1 0 313.401 2.485 10 0 DEAERO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)cc1 ZINC000189369637 200388801 /nfs/dbraw/zinc/38/88/01/200388801.db2.gz CXJNBHQYNJDMIG-YOEHRIQHSA-N 1 0 320.433 2.010 10 0 DEAERO C[NH+](C)CCCCNC(=O)CCCn1cnc2ccccc21 ZINC000603286790 360779320 /nfs/dbraw/zinc/77/93/20/360779320.db2.gz PTJXKNJELUHPRF-UHFFFAOYSA-N 1 0 302.422 2.275 10 0 DEAERO Cc1cc(C)n(-c2cncc(N3CCC([NH2+]C(C)C)CC3)n2)n1 ZINC000603494230 360839164 /nfs/dbraw/zinc/83/91/64/360839164.db2.gz HRFVQNSXTNLDTJ-UHFFFAOYSA-N 1 0 314.437 2.246 10 0 DEAERO O=C(C[N@@H+]1CCCC12CCC2)NC[C@H]1Cc2ccccc2O1 ZINC000444790935 238313576 /nfs/dbraw/zinc/31/35/76/238313576.db2.gz LPKFAJGIYGLCKI-OAHLLOKOSA-N 1 0 300.402 2.125 10 0 DEAERO CC[NH+]1CCC(CNC(=O)Nc2ccc3nccn3c2)CC1 ZINC000606580592 361022627 /nfs/dbraw/zinc/02/26/27/361022627.db2.gz VGFVLMPKIMBXTG-UHFFFAOYSA-N 1 0 301.394 2.188 10 0 DEAERO Cc1cc(C[N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)on1 ZINC000671563624 540988542 /nfs/dbraw/zinc/98/85/42/540988542.db2.gz XTQXYQAZKRNUJL-WMLDXEAASA-N 1 0 317.437 2.231 10 0 DEAERO CC[NH+](CC)CC1CCN(c2c(C)c(C)nc3ncnn32)CC1 ZINC000608079957 361166433 /nfs/dbraw/zinc/16/64/33/361166433.db2.gz RQRUGKKDMLJGNE-UHFFFAOYSA-N 1 0 316.453 2.299 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2nc3cccnc3s2)CC[N@@H+]1C ZINC000193958876 201153105 /nfs/dbraw/zinc/15/31/05/201153105.db2.gz WQSNDJRXJXVPHF-QWRGUYRKSA-N 1 0 304.419 2.246 10 0 DEAERO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1C ZINC000194053341 201169797 /nfs/dbraw/zinc/16/97/97/201169797.db2.gz NRTZRIPKAAOPHV-NVXWUHKLSA-N 1 0 304.434 2.156 10 0 DEAERO COC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1 ZINC000194094681 201177064 /nfs/dbraw/zinc/17/70/64/201177064.db2.gz VEBWEWBDZWCNLD-KBPBESRZSA-N 1 0 306.797 2.224 10 0 DEAERO O=C(NCc1ccc2ncccc2c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000194595398 201259611 /nfs/dbraw/zinc/25/96/11/201259611.db2.gz VLCXYNMRWUJHCA-QGZVFWFLSA-N 1 0 322.412 2.391 10 0 DEAERO CO[C@@]1(C[NH2+][C@H](C)c2ccc(Cl)s2)CCS(=O)(=O)C1 ZINC000721213152 784251519 /nfs/dbraw/zinc/25/15/19/784251519.db2.gz RNUDZECOYIYKSJ-BXKDBHETSA-N 1 0 323.867 2.256 10 0 DEAERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000195271301 201371760 /nfs/dbraw/zinc/37/17/60/201371760.db2.gz ZPFZBYJDHAFWCJ-MSOLQXFVSA-N 1 0 303.450 2.404 10 0 DEAERO COC(=O)C(C)(C)[C@H]([NH2+]CCc1ccnn1C)c1ccccc1 ZINC000619809065 363879977 /nfs/dbraw/zinc/87/99/77/363879977.db2.gz QNAZYSDUWPYXFK-MRXNPFEDSA-N 1 0 315.417 2.493 10 0 DEAERO C[C@@H](N)c1nc(C(=O)Nc2ccccc2C[NH+](C)C)cs1 ZINC000090947645 192961318 /nfs/dbraw/zinc/96/13/18/192961318.db2.gz YVVAHKJHWBBUOH-SNVBAGLBSA-N 1 0 304.419 2.477 10 0 DEAERO C[NH+](C)C1CC(NC(=O)c2cscc2Br)C1 ZINC000622008351 364633226 /nfs/dbraw/zinc/63/32/26/364633226.db2.gz JWZUANQEAYRYBW-UHFFFAOYSA-N 1 0 303.225 2.333 10 0 DEAERO Cn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000623084493 364879474 /nfs/dbraw/zinc/87/94/74/364879474.db2.gz FOMJMUWWUDVBMI-HZPDHXFCSA-N 1 0 324.384 2.294 10 0 DEAERO COc1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449065611 240007217 /nfs/dbraw/zinc/00/72/17/240007217.db2.gz UVZFZBSMQZJDIK-UHFFFAOYSA-N 1 0 305.399 2.389 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2ccsc2Br)CC1=O ZINC000623570726 365084117 /nfs/dbraw/zinc/08/41/17/365084117.db2.gz BXVVTVOSDMCVLJ-QMMMGPOBSA-N 1 0 303.225 2.079 10 0 DEAERO CCC[N@@H+]1CCC[C@H]([NH+]2CCSC[C@@H]2CC(=O)[O-])CC1 ZINC000091133579 193000037 /nfs/dbraw/zinc/00/00/37/193000037.db2.gz JGAGUXDRYXZWID-KBPBESRZSA-N 1 0 300.468 2.143 10 0 DEAERO C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091135894 193001260 /nfs/dbraw/zinc/00/12/60/193001260.db2.gz TYSOLLSDLVNOCH-GXSJLCMTSA-N 1 0 310.385 2.271 10 0 DEAERO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(F)cc1Br ZINC000623711413 365140363 /nfs/dbraw/zinc/14/03/63/365140363.db2.gz DORMRJNSQJBMKI-LBPRGKRZSA-N 1 0 317.202 2.008 10 0 DEAERO C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623897628 365213459 /nfs/dbraw/zinc/21/34/59/365213459.db2.gz QJVXBCKFNJLLPU-WDSOQIARSA-N 1 0 318.461 2.171 10 0 DEAERO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091343713 193043716 /nfs/dbraw/zinc/04/37/16/193043716.db2.gz RQTXZOKBSBRYDG-MNOVXSKESA-N 1 0 302.465 2.126 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC000624018176 365255188 /nfs/dbraw/zinc/25/51/88/365255188.db2.gz NNGBOKAJNQLSTN-XJKSGUPXSA-N 1 0 312.417 2.359 10 0 DEAERO CC[C@@](C)([C@H](CCCS(C)(=O)=O)[NH2+]C)N1CCCCC1 ZINC000091609939 193079983 /nfs/dbraw/zinc/07/99/83/193079983.db2.gz VRQVXNLNWWKYJV-GJZGRUSLSA-N 1 0 304.500 2.054 10 0 DEAERO CC[C@](C)([C@@H](CCCS(=O)(=O)CC)[NH2+]C)N1CCCC1 ZINC000091605979 193078962 /nfs/dbraw/zinc/07/89/62/193078962.db2.gz SAAJYVTZKNLEKW-HUUCEWRRSA-N 1 0 304.500 2.054 10 0 DEAERO CCN(CC)[C@@](C)(CC)[C@@H](CCCS(=O)(=O)CC)[NH2+]C ZINC000091599015 193078964 /nfs/dbraw/zinc/07/89/64/193078964.db2.gz JARPVDWAYQWIRJ-CABCVRRESA-N 1 0 306.516 2.300 10 0 DEAERO CC[C@H](C[NH3+])S(=O)(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000091479126 193062444 /nfs/dbraw/zinc/06/24/44/193062444.db2.gz UADCOQMKNHJCEW-SNVBAGLBSA-N 1 0 310.341 2.493 10 0 DEAERO COc1ccc(OC)c(-c2csc([C@H]3C[NH2+]CCO3)n2)c1 ZINC000091501740 193064942 /nfs/dbraw/zinc/06/49/42/193064942.db2.gz XDWXBIJPXIRMCA-CQSZACIVSA-N 1 0 306.387 2.488 10 0 DEAERO COc1ccc(-c2csc([C@H]3C[NH2+]CCO3)n2)cc1OC ZINC000091501373 193065096 /nfs/dbraw/zinc/06/50/96/193065096.db2.gz ANILTJFTBCKLBS-CQSZACIVSA-N 1 0 306.387 2.488 10 0 DEAERO CCc1nn(CC)c(C[C@](C)(O)CC[NH2+]CCOC)c1Cl ZINC000091504426 193066017 /nfs/dbraw/zinc/06/60/17/193066017.db2.gz UJSHKXZUZWCOJH-OAHLLOKOSA-N 1 0 317.861 2.038 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(F)cc1Br ZINC000624235611 365345871 /nfs/dbraw/zinc/34/58/71/365345871.db2.gz NDUSVYXATKWUMG-HJIKLVIJSA-N 1 0 318.186 2.389 10 0 DEAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000624238333 365346448 /nfs/dbraw/zinc/34/64/48/365346448.db2.gz PJKVOKKNYKGPLN-HZSPNIEDSA-N 1 0 312.207 2.176 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)C1(N(C)C)CCC(C)CC1 ZINC000091649045 193085107 /nfs/dbraw/zinc/08/51/07/193085107.db2.gz ZVKBOYIPDRSANY-PCKAHOCUSA-N 1 0 318.527 2.300 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1OC(F)F ZINC000091667760 193088022 /nfs/dbraw/zinc/08/80/22/193088022.db2.gz YQTQZUHQCYFOMT-NWDGAFQWSA-N 1 0 300.349 2.269 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCc2nc(C3CC3)cs2)C1 ZINC000091706343 193095465 /nfs/dbraw/zinc/09/54/65/193095465.db2.gz NPUNZZJVIJSTFO-NWDGAFQWSA-N 1 0 308.451 2.302 10 0 DEAERO CCCCCCNC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000091843184 193116391 /nfs/dbraw/zinc/11/63/91/193116391.db2.gz GQDPJZBCCAOLGX-QGZVFWFLSA-N 1 0 324.513 2.378 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000091850599 193117769 /nfs/dbraw/zinc/11/77/69/193117769.db2.gz WTYIHTDEDKNZNN-UHFFFAOYSA-N 1 0 314.426 2.415 10 0 DEAERO C[NH2+]C1CCC(NS(=O)(=O)c2cccc(Cl)c2C)CC1 ZINC000091872538 193121107 /nfs/dbraw/zinc/12/11/07/193121107.db2.gz RALLLRVIJOTBQS-UHFFFAOYSA-N 1 0 316.854 2.457 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000091872640 193121235 /nfs/dbraw/zinc/12/12/35/193121235.db2.gz AMKRLMQLLKFFAP-UHFFFAOYSA-N 1 0 314.426 2.118 10 0 DEAERO C[C@](O)(c1ccccc1Br)[C@@]1(C[NH3+])CCOC1 ZINC000091905899 193124560 /nfs/dbraw/zinc/12/45/60/193124560.db2.gz OIBAEWBJJYMIEK-QWHCGFSZSA-N 1 0 300.196 2.022 10 0 DEAERO COc1cc(Br)c([C@@H](O)[C@H](C)C[NH3+])cc1OC ZINC000091908906 193124581 /nfs/dbraw/zinc/12/45/81/193124581.db2.gz QVJQRLQJRWSCKP-KRTXAFLBSA-N 1 0 304.184 2.095 10 0 DEAERO CC(C)(C[NH3+])[C@H](O)c1cc(Br)c2c(c1)OCCO2 ZINC000091913284 193126302 /nfs/dbraw/zinc/12/63/02/193126302.db2.gz TUNOQEFOCQYUIX-GFCCVEGCSA-N 1 0 316.195 2.239 10 0 DEAERO Nc1ccc(SC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1F ZINC000091944438 193129519 /nfs/dbraw/zinc/12/95/19/193129519.db2.gz ITGUSEFWACEHPX-JKSUJKDBSA-N 1 0 306.406 2.431 10 0 DEAERO C[C@H]1CCCN(C(=O)N(CC(F)(F)F)C2CC[NH2+]CC2)C1 ZINC000091973034 193133430 /nfs/dbraw/zinc/13/34/30/193133430.db2.gz IDLPALMQKCBFLG-NSHDSACASA-N 1 0 307.360 2.455 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N(C)C)cc1 ZINC000091983956 193136001 /nfs/dbraw/zinc/13/60/01/193136001.db2.gz AQZURROAPYDVIS-XJKSGUPXSA-N 1 0 302.422 2.453 10 0 DEAERO Cc1cccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1C ZINC000092044835 193146045 /nfs/dbraw/zinc/14/60/45/193146045.db2.gz FUWWENODKBSQOU-QGZVFWFLSA-N 1 0 322.474 2.303 10 0 DEAERO C[C@H]([NH2+]CC1(O)CCOCC1)c1cccc(N2CCCC2)c1 ZINC000271789533 209217204 /nfs/dbraw/zinc/21/72/04/209217204.db2.gz MQWRQWQRROEHKQ-HNNXBMFYSA-N 1 0 304.434 2.479 10 0 DEAERO CO[C@@H]1CN(C(=O)c2scc(C)c2Cl)[C@@](C)(C[NH3+])C1 ZINC000630372508 367616451 /nfs/dbraw/zinc/61/64/51/367616451.db2.gz FSUHSEGKSRMXBJ-TVQRCGJNSA-N 1 0 302.827 2.288 10 0 DEAERO COC[C@@H]([NH3+])Cc1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000630590826 367744865 /nfs/dbraw/zinc/74/48/65/367744865.db2.gz OSQCRFATQXQOOX-NSHDSACASA-N 1 0 315.204 2.149 10 0 DEAERO [NH3+]C[C@H]1CN(c2nnc(C(F)F)s2)CC[C@@H]1C(F)(F)F ZINC000630527807 367708381 /nfs/dbraw/zinc/70/83/81/367708381.db2.gz WAUBHSFMRHZYOO-WDSKDSINSA-N 1 0 316.299 2.439 10 0 DEAERO CC[NH2+]Cc1sc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc1C ZINC000092113398 193161194 /nfs/dbraw/zinc/16/11/94/193161194.db2.gz HKTMERJABUGVOL-VXGBXAGGSA-N 1 0 316.492 2.443 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2ccsc2C[NH2+]C2CC2)C[C@H]1C ZINC000092113706 193161222 /nfs/dbraw/zinc/16/12/22/193161222.db2.gz WMDPNAZYDWLXAG-GHMZBOCLSA-N 1 0 314.476 2.277 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2(C)C)c(F)c1 ZINC000092116148 193164264 /nfs/dbraw/zinc/16/42/64/193164264.db2.gz DXQHOIKDEOWGEN-UHFFFAOYSA-N 1 0 314.426 2.498 10 0 DEAERO CCCC[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092116056 193164320 /nfs/dbraw/zinc/16/43/20/193164320.db2.gz PCPXYSFGCUHLNL-NSHDSACASA-N 1 0 302.415 2.402 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H](C)C(C)C)c(F)c1 ZINC000092116249 193164585 /nfs/dbraw/zinc/16/45/85/193164585.db2.gz FUHRYBLCOKJHFS-LLVKDONJSA-N 1 0 302.415 2.116 10 0 DEAERO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])cc2F)CC1 ZINC000092116174 193164647 /nfs/dbraw/zinc/16/46/47/193164647.db2.gz TUSKGCGWEYDCOA-LLVKDONJSA-N 1 0 300.399 2.095 10 0 DEAERO c1c(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)nnn1C[C@@H]1CCOC1 ZINC000631162427 368053366 /nfs/dbraw/zinc/05/33/66/368053366.db2.gz VYOJPBQABWJAKS-JLJPHGGASA-N 1 0 304.438 2.231 10 0 DEAERO c1csc(CCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC000631105954 368019962 /nfs/dbraw/zinc/01/99/62/368019962.db2.gz PQPHDACKVWITEH-CYBMUJFWSA-N 1 0 306.435 2.099 10 0 DEAERO COc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1Br ZINC000092208440 193173599 /nfs/dbraw/zinc/17/35/99/193173599.db2.gz MXOCRFJFYNENEK-DTWKUNHWSA-N 1 0 311.179 2.300 10 0 DEAERO c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]C2CN(c3ccncn3)C2)cc1 ZINC000631747330 368367091 /nfs/dbraw/zinc/36/70/91/368367091.db2.gz FEKSICIEXTWAFL-CRAIPNDOSA-N 1 0 324.428 2.423 10 0 DEAERO C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000631845069 368421398 /nfs/dbraw/zinc/42/13/98/368421398.db2.gz SDHDBBHFGVGDDR-VHSXEESVSA-N 1 0 316.232 2.459 10 0 DEAERO CN(CC1CC1)C(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451621875 243217920 /nfs/dbraw/zinc/21/79/20/243217920.db2.gz XZWVGTLCCIGLHO-CVEARBPZSA-N 1 0 306.450 2.136 10 0 DEAERO Cc1cccc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)c1F ZINC000631961287 368467961 /nfs/dbraw/zinc/46/79/61/368467961.db2.gz KOOAHGYSCXJOTJ-LBPRGKRZSA-N 1 0 300.399 2.026 10 0 DEAERO COCC[C@H]([NH2+]C[C@H](O)COC)c1cccc(C(F)(F)F)c1 ZINC000451695497 243314869 /nfs/dbraw/zinc/31/48/69/243314869.db2.gz QGCDZGRMIQWRKK-KBPBESRZSA-N 1 0 321.339 2.380 10 0 DEAERO C[NH2+]C[C@@H](CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092270503 193183859 /nfs/dbraw/zinc/18/38/59/193183859.db2.gz HWIYPVFEDQMMRA-ZIAGYGMSSA-N 1 0 313.488 2.439 10 0 DEAERO C[C@@H](C(N)=S)[NH+]1CCN(C[C@@H]2CSc3ccccc32)CC1 ZINC000092275969 193183896 /nfs/dbraw/zinc/18/38/96/193183896.db2.gz PGDWAQYGVHFONO-QWHCGFSZSA-N 1 0 321.515 2.168 10 0 DEAERO C[NH2+]C[C@H](CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092270504 193183939 /nfs/dbraw/zinc/18/39/39/193183939.db2.gz HWIYPVFEDQMMRA-UONOGXRCSA-N 1 0 313.488 2.439 10 0 DEAERO CC(C)C[NH2+]Cc1c(N(C)CC(C)(C)O)nc2sccn12 ZINC000092970944 193190258 /nfs/dbraw/zinc/19/02/58/193190258.db2.gz HTWYEPGBVHRHFU-UHFFFAOYSA-N 1 0 310.467 2.349 10 0 DEAERO C[NH2+]Cc1sc(N(CCOC)CCOC)nc1C(C)C ZINC000093000109 193192783 /nfs/dbraw/zinc/19/27/83/193192783.db2.gz MMQKXPHQWSLDOK-UHFFFAOYSA-N 1 0 301.456 2.085 10 0 DEAERO COc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1O ZINC000093011532 193194088 /nfs/dbraw/zinc/19/40/88/193194088.db2.gz IZXZPDGCONEJES-INIZCTEOSA-N 1 0 320.433 2.088 10 0 DEAERO CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261913401 203151359 /nfs/dbraw/zinc/15/13/59/203151359.db2.gz XVUAOHGYMKEUJD-ZBFHGGJFSA-N 1 0 302.418 2.380 10 0 DEAERO C[NH2+][C@H](C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C)c1cnn(C)c1 ZINC000262525842 203320360 /nfs/dbraw/zinc/32/03/60/203320360.db2.gz LIPAKFHHTYROFQ-XYPHTWIQSA-N 1 0 312.417 2.085 10 0 DEAERO Cc1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2)c1 ZINC000262557969 203329947 /nfs/dbraw/zinc/32/99/47/203329947.db2.gz VLQIKYFWUYPBNL-PBHICJAKSA-N 1 0 312.369 2.449 10 0 DEAERO [NH3+][C@H]1CC[C@H](OCC(=O)Nc2cccc(Br)c2)C1 ZINC000093217322 193217312 /nfs/dbraw/zinc/21/73/12/193217312.db2.gz XSDMXTFAUWWRRF-JQWIXIFHSA-N 1 0 313.195 2.284 10 0 DEAERO [NH3+][C@H]1CC[C@H](OCC(=O)Nc2ccccc2Br)C1 ZINC000093217129 193217691 /nfs/dbraw/zinc/21/76/91/193217691.db2.gz FNJBFCJXUJWNFM-UWVGGRQHSA-N 1 0 313.195 2.284 10 0 DEAERO CCCNS(=O)(=O)c1ccc(O[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093219981 193218195 /nfs/dbraw/zinc/21/81/95/193218195.db2.gz LUIWWYRHTYWYCH-GXTWGEPZSA-N 1 0 312.435 2.024 10 0 DEAERO NC1=[NH+]C[C@@]2(CCc3cc(Br)ccc3C2)N1C1CC1 ZINC000093373738 193240962 /nfs/dbraw/zinc/24/09/62/193240962.db2.gz CUNGRZYCMLSLQH-HNNXBMFYSA-N 1 0 320.234 2.469 10 0 DEAERO NC1=[NH+]C[C@H](C2CCOCC2)N1c1ccccc1Br ZINC000093382756 193241023 /nfs/dbraw/zinc/24/10/23/193241023.db2.gz YSCFNWRQRNIQAU-CYBMUJFWSA-N 1 0 324.222 2.379 10 0 DEAERO COCCN1C(=[NH2+])NC[C@@]1(C)c1cc(Cl)ccc1Cl ZINC000093380484 193241092 /nfs/dbraw/zinc/24/10/92/193241092.db2.gz HERFYHAUKFIQQE-ZDUSSCGKSA-N 1 0 302.205 2.485 10 0 DEAERO COCCN1C(=[NH2+])NC[C@@]1(C)c1ccc(Cl)c(Cl)c1 ZINC000093380382 193241244 /nfs/dbraw/zinc/24/12/44/193241244.db2.gz CGUXQHPWRCTVMG-ZDUSSCGKSA-N 1 0 302.205 2.485 10 0 DEAERO CC(C)C[C@@H]1CN(CC(C)(C)S(C)(=O)=O)[C@H](C(C)C)C[NH2+]1 ZINC000093525675 193263788 /nfs/dbraw/zinc/26/37/88/193263788.db2.gz WFOOXNONHSIMMO-CABCVRRESA-N 1 0 318.527 2.154 10 0 DEAERO Cc1cc(C)n2c(CN3CC[C@@H](C[NH+]4CCCC4)C3)cnc2n1 ZINC000093597578 193272677 /nfs/dbraw/zinc/27/26/77/193272677.db2.gz RIUQCPZJVNYVEH-INIZCTEOSA-N 1 0 313.449 2.264 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSCCCOC ZINC000093631130 193277750 /nfs/dbraw/zinc/27/77/50/193277750.db2.gz GPPDMLNDKOVKNJ-DZGCQCFKSA-N 1 0 302.484 2.170 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000093696837 193291584 /nfs/dbraw/zinc/29/15/84/193291584.db2.gz DXESANVZZCAVPM-CYBMUJFWSA-N 1 0 316.854 2.101 10 0 DEAERO C[C@@H]1CCC[C@H](CC[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093696976 193291661 /nfs/dbraw/zinc/29/16/61/193291661.db2.gz UGTSOYMMDIGNEP-OAGGEKHMSA-N 1 0 316.511 2.464 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000093696553 193291756 /nfs/dbraw/zinc/29/17/56/193291756.db2.gz SCAIFQYVPIBFJR-CHWSQXEVSA-N 1 0 316.492 2.379 10 0 DEAERO CC[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093696801 193291927 /nfs/dbraw/zinc/29/19/27/193291927.db2.gz KNYQITFOCUJVQZ-ZBFHGGJFSA-N 1 0 310.463 2.399 10 0 DEAERO CC[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093696802 193292055 /nfs/dbraw/zinc/29/20/55/193292055.db2.gz KNYQITFOCUJVQZ-GDBMZVCRSA-N 1 0 310.463 2.399 10 0 DEAERO CC[C@@H](C[NH2+]CC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701444 193294886 /nfs/dbraw/zinc/29/48/86/193294886.db2.gz FDUVGQPHNGBDKG-CABCVRRESA-N 1 0 304.500 2.320 10 0 DEAERO CCC[NH2+]C[C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093701401 193294903 /nfs/dbraw/zinc/29/49/03/193294903.db2.gz GQEZTTJCQLAWID-HUUCEWRRSA-N 1 0 304.500 2.320 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1c1nc2cc(F)c(Br)cc2[nH]1 ZINC000093728934 193298392 /nfs/dbraw/zinc/29/83/92/193298392.db2.gz GUJMLGMVKXZIEA-UPONEAKYSA-N 1 0 314.158 2.166 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](n2nc(C)c(Cl)c2C)C1 ZINC000093759604 193301985 /nfs/dbraw/zinc/30/19/85/193301985.db2.gz GWOOIVHJBIYYNJ-DOMZBBRYSA-N 1 0 312.845 2.492 10 0 DEAERO CC[NH2+][C@@H](c1cscc1Br)[C@H]1CN(C)CCO1 ZINC000093655000 193284801 /nfs/dbraw/zinc/28/48/01/193284801.db2.gz PDJGZYOFZLSORL-NEPJUHHUSA-N 1 0 319.268 2.492 10 0 DEAERO C[NH2+][C@@H](Cc1cc(F)cc(Br)c1)[C@@H]1COCCO1 ZINC000094000196 193337846 /nfs/dbraw/zinc/33/78/46/193337846.db2.gz JFDSYRIQLYNDPH-STQMWFEESA-N 1 0 318.186 2.134 10 0 DEAERO CC[NH2+][C@@]1(C(N)=O)CC[C@@H](n2ccnc2-c2cccs2)C1 ZINC000093833586 193315007 /nfs/dbraw/zinc/31/50/07/193315007.db2.gz ZTQZBNWFGQJFPZ-ABAIWWIYSA-N 1 0 304.419 2.170 10 0 DEAERO COC(=O)[C@@]1([NH3+])CC[C@@H](Sc2nc3cc(C)ccc3[nH]2)C1 ZINC000093852849 193319279 /nfs/dbraw/zinc/31/92/79/193319279.db2.gz ZLLKAPLWMJAMBR-MEBBXXQBSA-N 1 0 305.403 2.386 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(CC)s1)[C@@H]1CN(C)CCN1C ZINC000093896112 193324847 /nfs/dbraw/zinc/32/48/47/193324847.db2.gz DDJGMPJQVUNXTQ-SJORKVTESA-N 1 0 309.523 2.467 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)[C@@H]1CN(C)CCN1C ZINC000093895943 193325426 /nfs/dbraw/zinc/32/54/26/193325426.db2.gz OCHSIGYCSFPDIM-IRXDYDNUSA-N 1 0 309.885 2.497 10 0 DEAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)[C@H]1CN(C)CCN1C ZINC000093895498 193325887 /nfs/dbraw/zinc/32/58/87/193325887.db2.gz MZOSCTHQNVASSY-HZPDHXFCSA-N 1 0 313.848 2.246 10 0 DEAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)C1CCCCC1 ZINC000094023997 193339093 /nfs/dbraw/zinc/33/90/93/193339093.db2.gz XFJDTCYBCCCOKH-UHFFFAOYSA-N 1 0 302.484 2.361 10 0 DEAERO CCC[NH2+][C@H](Cc1ccncc1Cl)[C@H]1CN(CC)CCO1 ZINC000093915312 193328210 /nfs/dbraw/zinc/32/82/10/193328210.db2.gz MCPRZOVTZNKJDV-HZPDHXFCSA-N 1 0 311.857 2.366 10 0 DEAERO CCC[NH2+][C@@H](c1cc(Cl)cnc1N)[C@H]1CN(CC)CCO1 ZINC000093915259 193328418 /nfs/dbraw/zinc/32/84/18/193328418.db2.gz XJACFGXMCJZDGD-KGLIPLIRSA-N 1 0 312.845 2.079 10 0 DEAERO CCN(CC1CC[NH2+]CC1)C(=O)c1cc(Br)c[nH]1 ZINC000094022479 193339148 /nfs/dbraw/zinc/33/91/48/193339148.db2.gz SXTIUGOYXQIKHU-UHFFFAOYSA-N 1 0 314.227 2.239 10 0 DEAERO CCC[NH2+][C@H]1[C@H](CN2CCS(=O)CC2)CCCC1(C)C ZINC000094287355 193355860 /nfs/dbraw/zinc/35/58/60/193355860.db2.gz IXJUUXRPGRRPGH-GJZGRUSLSA-N 1 0 300.512 2.245 10 0 DEAERO CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1N(C)CCS(C)(=O)=O ZINC000094298342 193357844 /nfs/dbraw/zinc/35/78/44/193357844.db2.gz LBFLDXVNJBYFDY-ZNMIVQPWSA-N 1 0 318.527 2.156 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1N(C)CCS(C)(=O)=O ZINC000094298222 193357847 /nfs/dbraw/zinc/35/78/47/193357847.db2.gz TYTWWBCPCADXRM-XHSDSOJGSA-N 1 0 318.527 2.156 10 0 DEAERO CCC[NH2+][C@H](CCN(C)CCS(C)(=O)=O)c1ccccc1 ZINC000094300431 193358855 /nfs/dbraw/zinc/35/88/55/193358855.db2.gz CWUDPSUQKAGBDE-MRXNPFEDSA-N 1 0 312.479 2.094 10 0 DEAERO CC1(C)CCC[C@H]1NS(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000094326150 193359262 /nfs/dbraw/zinc/35/92/62/193359262.db2.gz RZMWEMYLAJPIJX-CYBMUJFWSA-N 1 0 300.399 2.141 10 0 DEAERO CC(C)CNC(=O)[C@@H](C)Oc1c(F)cc(CC[NH3+])cc1F ZINC000094349738 193363057 /nfs/dbraw/zinc/36/30/57/193363057.db2.gz RBFVMDZOAVHLJY-SNVBAGLBSA-N 1 0 300.349 2.006 10 0 DEAERO CCCCNC(=O)[C@H](C)Oc1c(F)cc(CC[NH3+])cc1F ZINC000094349781 193363790 /nfs/dbraw/zinc/36/37/90/193363790.db2.gz FFACFWYEMDJLGQ-JTQLQIEISA-N 1 0 300.349 2.150 10 0 DEAERO CC[NH2+]Cc1cc(F)c(OCCC(=O)NC(C)C)c(F)c1 ZINC000094346784 193363821 /nfs/dbraw/zinc/36/38/21/193363821.db2.gz QENVWYGMCLYGDH-UHFFFAOYSA-N 1 0 300.349 2.368 10 0 DEAERO Fc1ccc(-c2noc([C@]3(C(F)(F)F)CC[NH2+]C3)n2)nc1 ZINC000094044116 193340516 /nfs/dbraw/zinc/34/05/16/193340516.db2.gz PHNXZERQIZTVOM-NSHDSACASA-N 1 0 302.231 2.064 10 0 DEAERO FC(F)(F)c1ccnc(N(CC2CC[NH2+]CC2)C2CC2)n1 ZINC000094044863 193341040 /nfs/dbraw/zinc/34/10/40/193341040.db2.gz DZPHHLJIGVQAAU-UHFFFAOYSA-N 1 0 300.328 2.464 10 0 DEAERO COCC[NH2+]C[C@@H]1CCCCN1c1ncc(Cl)cc1F ZINC000094053905 193341649 /nfs/dbraw/zinc/34/16/49/193341649.db2.gz HQXHUJHLVHZLEJ-LBPRGKRZSA-N 1 0 301.793 2.469 10 0 DEAERO CC[C@@H]([NH3+])[C@](O)(Cc1nc2ccccc2n1C)C(F)(F)F ZINC000094167413 193347150 /nfs/dbraw/zinc/34/71/50/193347150.db2.gz XUJVLDWRQBICAF-DGCLKSJQSA-N 1 0 301.312 2.147 10 0 DEAERO C[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2Cl)cn1 ZINC000094209073 193349427 /nfs/dbraw/zinc/34/94/27/193349427.db2.gz DNVAVFVFUYJGRB-UHFFFAOYSA-N 1 0 305.765 2.472 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])Cc2ccc(OC)nc2)c1Cl ZINC000094632293 193385495 /nfs/dbraw/zinc/38/54/95/193385495.db2.gz KJTIVLMQYZLZHW-NSHDSACASA-N 1 0 308.813 2.152 10 0 DEAERO COc1ccccc1C[C@H]([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641879 193388810 /nfs/dbraw/zinc/38/88/10/193388810.db2.gz IFJNRLAJYWJYAG-SNPRPXQTSA-N 1 0 311.447 2.168 10 0 DEAERO COc1cc(C[NH3+])cc(Br)c1O[C@@H](C)[C@H](C)O ZINC000094653057 193390312 /nfs/dbraw/zinc/39/03/12/193390312.db2.gz UGQMLMPJVJXOCU-YUMQZZPRSA-N 1 0 304.184 2.065 10 0 DEAERO O=C(N[C@H]1CCCOc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247508902 284179322 /nfs/dbraw/zinc/17/93/22/284179322.db2.gz PDGDUVSXXDWPAP-HOCLYGCPSA-N 1 0 315.417 2.390 10 0 DEAERO CCOC(=O)C1CC[NH+]([C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094410479 193367909 /nfs/dbraw/zinc/36/79/09/193367909.db2.gz XRGWIRQLTBNQLL-GOEBONIOSA-N 1 0 313.463 2.316 10 0 DEAERO Nc1cc(Br)c(F)cc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094457928 193371503 /nfs/dbraw/zinc/37/15/03/193371503.db2.gz WYMJUGMFQIEGBF-SECBINFHSA-N 1 0 314.202 2.455 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1C(N)=S ZINC000094460655 193372150 /nfs/dbraw/zinc/37/21/50/193372150.db2.gz BNHJCIOGNILHSN-BXUZGUMPSA-N 1 0 307.438 2.128 10 0 DEAERO C[C@@H]1C[C@@](C[NH3+])(N2CCN(c3ccccc3F)CC2)CS1 ZINC000094473344 193372581 /nfs/dbraw/zinc/37/25/81/193372581.db2.gz JWAPQTIXNAONTD-CJNGLKHVSA-N 1 0 309.454 2.171 10 0 DEAERO CC[C@H]1CN(c2nc(Br)cn3ccnc23)CC[N@@H+]1C ZINC000094491066 193373391 /nfs/dbraw/zinc/37/33/91/193373391.db2.gz VAZQZIJRKORBLZ-JTQLQIEISA-N 1 0 324.226 2.022 10 0 DEAERO CN(c1nc(Br)cn2ccnc12)[C@H]1CCC[N@H+](C)C1 ZINC000094490482 193373505 /nfs/dbraw/zinc/37/35/05/193373505.db2.gz CKFSIXFSNOAFCJ-JTQLQIEISA-N 1 0 324.226 2.022 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(c2nc(Br)cn3ccnc23)C1 ZINC000094491326 193374054 /nfs/dbraw/zinc/37/40/54/193374054.db2.gz GTKXPAOAPTYRAL-SNVBAGLBSA-N 1 0 324.226 2.022 10 0 DEAERO CCC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CSCCO1 ZINC000094504846 193374590 /nfs/dbraw/zinc/37/45/90/193374590.db2.gz BBZWJHVRFMXQBP-YPMHNXCESA-N 1 0 317.886 2.425 10 0 DEAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CN2CCN1CC2 ZINC000094508961 193375729 /nfs/dbraw/zinc/37/57/29/193375729.db2.gz VIBCIXLMDJZSSP-KBPBESRZSA-N 1 0 300.233 2.254 10 0 DEAERO COc1ccc(CN2C[C@H]([NH3+])C[C@H](C)C2)cc1OC(F)F ZINC000094548183 193378335 /nfs/dbraw/zinc/37/83/35/193378335.db2.gz WYYGQOVQHPOOBO-CMPLNLGQSA-N 1 0 300.349 2.466 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000094553533 193379581 /nfs/dbraw/zinc/37/95/81/193379581.db2.gz RFUXVZPIHKGJRP-UWVGGRQHSA-N 1 0 322.352 2.154 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000094568009 193380924 /nfs/dbraw/zinc/38/09/24/193380924.db2.gz ONZYOWCYPKYJJD-AAEUAGOBSA-N 1 0 317.216 2.458 10 0 DEAERO [NH3+]Cc1ccc(C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)o1 ZINC000094566299 193380986 /nfs/dbraw/zinc/38/09/86/193380986.db2.gz XSWMAHHAVYAWLE-UHFFFAOYSA-N 1 0 305.721 2.139 10 0 DEAERO CC[NH+](CC)CCNc1nc2c(Br)cccn2n1 ZINC000094602381 193384038 /nfs/dbraw/zinc/38/40/38/193384038.db2.gz VTPHGAATYZVQKH-UHFFFAOYSA-N 1 0 312.215 2.246 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCCN1c1nc2c(Br)cccn2n1 ZINC000094607998 193384599 /nfs/dbraw/zinc/38/45/99/193384599.db2.gz WERLKBXPUZCJJQ-GXSJLCMTSA-N 1 0 324.226 2.198 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCCN1c1nc2ccc(Br)cn2n1 ZINC000094607982 193384832 /nfs/dbraw/zinc/38/48/32/193384832.db2.gz YPWRAIDNWHOYOJ-ONGXEEELSA-N 1 0 324.226 2.198 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cscc1C ZINC000094863748 193403544 /nfs/dbraw/zinc/40/35/44/193403544.db2.gz DWLXRGKRQMSGKT-JSGCOSHPSA-N 1 0 316.492 2.379 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000094890133 193405538 /nfs/dbraw/zinc/40/55/38/193405538.db2.gz MTKVVZGGWCKEEO-SECBINFHSA-N 1 0 303.284 2.075 10 0 DEAERO Cc1csc(C[C@H](C[NH2+]C(C)C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000094976313 193410476 /nfs/dbraw/zinc/41/04/76/193410476.db2.gz ZKMXHQNBZGXKLT-CHWSQXEVSA-N 1 0 316.492 2.043 10 0 DEAERO NC(=O)c1cc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])ccc1Cl ZINC000094750599 193395378 /nfs/dbraw/zinc/39/53/78/193395378.db2.gz RDURCHIXWRRRCI-MFKMUULPSA-N 1 0 309.797 2.285 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)c2ccc(CC[NH3+])s2)C1 ZINC000094805679 193399573 /nfs/dbraw/zinc/39/95/73/193399573.db2.gz GAGYTDOYWQNUFB-UHFFFAOYSA-N 1 0 316.492 2.450 10 0 DEAERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCCOCC(F)(F)F ZINC000248792086 284217222 /nfs/dbraw/zinc/21/72/22/284217222.db2.gz DNRMXQIAUOTHKM-SRVKXCTJSA-N 1 0 309.328 2.229 10 0 DEAERO O=C(N[C@H]1CCOc2ccc(F)cc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247657963 284213696 /nfs/dbraw/zinc/21/36/96/284213696.db2.gz YZEQHOMVXJTFHL-ZFWWWQNUSA-N 1 0 319.380 2.139 10 0 DEAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000453355051 245089334 /nfs/dbraw/zinc/08/93/34/245089334.db2.gz HFKDGSRGIOYKCO-SPUZQDLCSA-N 1 0 315.461 2.141 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cc1 ZINC000453429538 245134795 /nfs/dbraw/zinc/13/47/95/245134795.db2.gz IKAPJWWRKGZZNX-QRTARXTBSA-N 1 0 302.418 2.369 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264589169 204012854 /nfs/dbraw/zinc/01/28/54/204012854.db2.gz LGMUVQWIMKEBEL-SFHVURJKSA-N 1 0 311.433 2.328 10 0 DEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000282536086 217070270 /nfs/dbraw/zinc/07/02/70/217070270.db2.gz ZKUSNDVMRPYGCL-APPZFPTMSA-N 1 0 303.225 2.267 10 0 DEAERO C[NH2+][C@@H](COC(C)C)Cc1c(Br)c(C)nn1C ZINC000097278601 193703612 /nfs/dbraw/zinc/70/36/12/193703612.db2.gz ASLMGXWAXBZGGH-SNVBAGLBSA-N 1 0 304.232 2.047 10 0 DEAERO c1nncn1C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530098904 284340951 /nfs/dbraw/zinc/34/09/51/284340951.db2.gz ZIXXHCFFUSTLRU-UHFFFAOYSA-N 1 0 316.409 2.231 10 0 DEAERO CCC[NH2+][C@H](c1cnsn1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097313043 193706974 /nfs/dbraw/zinc/70/69/74/193706974.db2.gz JGYAVQOZBKYILI-GVXVVHGQSA-N 1 0 317.480 2.182 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089108226 291551940 /nfs/dbraw/zinc/55/19/40/291551940.db2.gz XVBISBAKFYKCNZ-DGCLKSJQSA-N 1 0 316.854 2.444 10 0 DEAERO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000266235392 205203210 /nfs/dbraw/zinc/20/32/10/205203210.db2.gz SKFMLGZQHWBKJP-VHDGCEQUSA-N 1 0 318.417 2.018 10 0 DEAERO CC(C)(C)OC(=O)N1CCN([C@H](C[NH3+])c2ccccc2F)CC1 ZINC000020179243 182194501 /nfs/dbraw/zinc/19/45/01/182194501.db2.gz VVVPUPXREMIWIY-OAHLLOKOSA-N 1 0 323.412 2.378 10 0 DEAERO COc1ccc(NS(=O)(=O)c2ccc(F)c(C[NH3+])c2)cc1 ZINC000020189284 182195681 /nfs/dbraw/zinc/19/56/81/182195681.db2.gz UTRRVBXZWFFBPA-UHFFFAOYSA-N 1 0 310.350 2.094 10 0 DEAERO C[C@H]1CN([C@@H](C[NH3+])c2cc(Br)cs2)CCO1 ZINC000020475215 182221540 /nfs/dbraw/zinc/22/15/40/182221540.db2.gz QJCJXRPSFSTLKR-WPRPVWTQSA-N 1 0 305.241 2.231 10 0 DEAERO CCOc1c(Cl)cc(CNCC[NH2+]C[C@@H](C)O)cc1Cl ZINC000020477760 182222140 /nfs/dbraw/zinc/22/21/40/182222140.db2.gz VOQKIIVSQYFYEZ-SNVBAGLBSA-N 1 0 321.248 2.452 10 0 DEAERO [NH3+]C[C@@H]1CCN(c2ccc(I)cc2)C1 ZINC000020478067 182222713 /nfs/dbraw/zinc/22/27/13/182222713.db2.gz DZHBRLVFJCFKJY-VIFPVBQESA-N 1 0 302.159 2.076 10 0 DEAERO CSc1nc(N[C@@H]2CCOc3ccccc32)cc(NN)[nH+]1 ZINC000159999697 197379202 /nfs/dbraw/zinc/37/92/02/197379202.db2.gz GDFLTEGAHIRCKK-SNVBAGLBSA-N 1 0 303.391 2.420 10 0 DEAERO O=C(Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1C[C@H](O)C[NH2+]1 ZINC000020505404 182226096 /nfs/dbraw/zinc/22/60/96/182226096.db2.gz DYHXQBLYUDCING-IMTBSYHQSA-N 1 0 309.580 2.308 10 0 DEAERO O=C(CN1CC[NH+](C2CCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000027120077 182463538 /nfs/dbraw/zinc/46/35/38/182463538.db2.gz HTJILQGWTKXAFG-UHFFFAOYSA-N 1 0 323.387 2.464 10 0 DEAERO CC(C)[C@@H](CNC(=O)c1nnc(Cl)s1)[NH+]1CCCC1 ZINC000159856336 197369121 /nfs/dbraw/zinc/36/91/21/197369121.db2.gz BTHIIPRAIGFAKE-SECBINFHSA-N 1 0 302.831 2.042 10 0 DEAERO O=C(NCCC1(CO)CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000456444211 247201692 /nfs/dbraw/zinc/20/16/92/247201692.db2.gz ZHPJRPQIHLHHQZ-UHFFFAOYSA-N 1 0 302.418 2.175 10 0 DEAERO C[C@@H]1C[N@H+](CCCC(=O)Nc2ccc(N)cc2Cl)CCO1 ZINC000040162705 183042596 /nfs/dbraw/zinc/04/25/96/183042596.db2.gz NCWFJNSNPYNUHJ-LLVKDONJSA-N 1 0 311.813 2.362 10 0 DEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000040415308 183063597 /nfs/dbraw/zinc/06/35/97/183063597.db2.gz BXJAOWYTSNZRRY-SECBINFHSA-N 1 0 310.419 2.350 10 0 DEAERO [NH3+][C@@H](C(=O)Nc1ccc(Br)cn1)c1ccccc1 ZINC000040459080 183069724 /nfs/dbraw/zinc/06/97/24/183069724.db2.gz KPUNZKDOEBYHQC-GFCCVEGCSA-N 1 0 306.163 2.483 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000040635962 183112803 /nfs/dbraw/zinc/11/28/03/183112803.db2.gz GGXHFOOXQJZAFN-OLZOCXBDSA-N 1 0 317.216 2.329 10 0 DEAERO COCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCCC1 ZINC000040654150 183114246 /nfs/dbraw/zinc/11/42/46/183114246.db2.gz JRSATINYGWXFKO-CQSZACIVSA-N 1 0 309.410 2.142 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000040776912 183132487 /nfs/dbraw/zinc/13/24/87/183132487.db2.gz FBIJVRAGHSLMPH-QWHCGFSZSA-N 1 0 301.814 2.076 10 0 DEAERO CC(C)C[C@H](CO)[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000040776926 183132531 /nfs/dbraw/zinc/13/25/31/183132531.db2.gz PHAALGXWVSRNQS-KGLIPLIRSA-N 1 0 301.814 2.076 10 0 DEAERO Cc1ccc(NCCN2CC[NH+](C)CC2)cc1Br ZINC000041563164 183203177 /nfs/dbraw/zinc/20/31/77/183203177.db2.gz IPSWLBOBOOSWRZ-UHFFFAOYSA-N 1 0 312.255 2.417 10 0 DEAERO OC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(Br)s1 ZINC000041703005 183218427 /nfs/dbraw/zinc/21/84/27/183218427.db2.gz WVBWCCWHGDATHO-RKDXNWHRSA-N 1 0 306.225 2.313 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](CN(C)Cc2cc(Br)cs2)C1 ZINC000042402421 183264364 /nfs/dbraw/zinc/26/43/64/183264364.db2.gz XXUVYBKOYMNFGW-MNOVXSKESA-N 1 0 319.268 2.319 10 0 DEAERO CC[C@H]([NH3+])Cc1cccc(Br)c1OCC(=O)OC ZINC000042412888 183266962 /nfs/dbraw/zinc/26/69/62/183266962.db2.gz DACDEULOIWBERK-JTQLQIEISA-N 1 0 316.195 2.281 10 0 DEAERO COCCCN(CCOC)[C@H](C[NH3+])c1ccc(SC)cc1 ZINC000042420981 183268105 /nfs/dbraw/zinc/26/81/05/183268105.db2.gz DKIFWRHXTKSQNT-MRXNPFEDSA-N 1 0 312.479 2.393 10 0 DEAERO COCCN(C)[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000042458662 183272670 /nfs/dbraw/zinc/27/26/70/183272670.db2.gz CQMAWCLENGAWTH-GFCCVEGCSA-N 1 0 305.191 2.166 10 0 DEAERO COCCN(C)[C@@H](C[NH3+])c1ccc(Br)cc1F ZINC000042458534 183273158 /nfs/dbraw/zinc/27/31/58/183273158.db2.gz PLWZQWRBDIRTKD-LBPRGKRZSA-N 1 0 305.191 2.166 10 0 DEAERO O=S1CCC([NH2+][C@H]2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000042353499 183257552 /nfs/dbraw/zinc/25/75/52/183257552.db2.gz LSFFZXCBLGOJHR-NYEKRPBHSA-N 1 0 313.385 2.377 10 0 DEAERO CN(Cc1csc(Br)c1)C(=O)n1cc[n+](C)c1 ZINC000042363210 183259339 /nfs/dbraw/zinc/25/93/39/183259339.db2.gz PKZNKMQCIRLGBG-UHFFFAOYSA-N 1 0 315.216 2.237 10 0 DEAERO COCCN([C@@H](C[NH3+])c1ccc(Cl)cc1)[C@@H](C)COC ZINC000042606683 183290729 /nfs/dbraw/zinc/29/07/29/183290729.db2.gz UCRCSDCKEOSDKB-WFASDCNBSA-N 1 0 300.830 2.323 10 0 DEAERO C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000042610560 183291349 /nfs/dbraw/zinc/29/13/49/183291349.db2.gz JCRWQXSURMWQHR-SOUVJXGZSA-N 1 0 302.484 2.359 10 0 DEAERO CCN(C[C@@H]([NH3+])c1ccc2c(c1)OCCO2)CC(F)(F)F ZINC000042747882 183304263 /nfs/dbraw/zinc/30/42/63/183304263.db2.gz XXVFNPPHICGOPF-LLVKDONJSA-N 1 0 304.312 2.342 10 0 DEAERO COc1ccc([C@@H](C[NH3+])N(C)Cc2cscn2)cc1OC ZINC000042863837 183315155 /nfs/dbraw/zinc/31/51/55/183315155.db2.gz HPRUKHDAQGWVQQ-CYBMUJFWSA-N 1 0 307.419 2.292 10 0 DEAERO COc1ccc(OC)c([C@@H](C[NH3+])N(C)Cc2cscn2)c1 ZINC000042864450 183315353 /nfs/dbraw/zinc/31/53/53/183315353.db2.gz ACNRPAWMDDQWIL-CQSZACIVSA-N 1 0 307.419 2.292 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCS(=O)CC1 ZINC000042946277 183319619 /nfs/dbraw/zinc/31/96/19/183319619.db2.gz CMQUNTJDBMDQFW-ZIAGYGMSSA-N 1 0 300.855 2.183 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCC(CC(N)=O)CC1 ZINC000043015934 183327963 /nfs/dbraw/zinc/32/79/63/183327963.db2.gz XJBRPLZGDYKQTO-ZBEGNZNMSA-N 1 0 309.841 2.316 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CCC(C(N)=O)CC1 ZINC000043051059 183332732 /nfs/dbraw/zinc/33/27/32/183332732.db2.gz NEJRQMQAZHCYCB-GJZGRUSLSA-N 1 0 309.841 2.316 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCc2sccc2[C@@H]1C ZINC000042782426 183309447 /nfs/dbraw/zinc/30/94/47/183309447.db2.gz OERHNEYIYBTYFX-LBPRGKRZSA-N 1 0 316.492 2.385 10 0 DEAERO CCC[NH2+][C@H](C)c1cccc(NS(=O)(=O)CCOC)c1 ZINC000042808970 183311079 /nfs/dbraw/zinc/31/10/79/183311079.db2.gz HZHWDFNKQPRWLW-GFCCVEGCSA-N 1 0 300.424 2.135 10 0 DEAERO Cn1cc([C@H](C[NH3+])Oc2ccc(Br)cc2F)cn1 ZINC000043235565 183345913 /nfs/dbraw/zinc/34/59/13/183345913.db2.gz WBFWBAKGBCCOMU-LBPRGKRZSA-N 1 0 314.158 2.401 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCCC[C@@H]1C(N)=O ZINC000043253714 183347831 /nfs/dbraw/zinc/34/78/31/183347831.db2.gz GPXUJZPRSXTTAS-YGOYTEALSA-N 1 0 301.843 2.130 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)s1)n1cncn1 ZINC000043263217 183348837 /nfs/dbraw/zinc/34/88/37/183348837.db2.gz PWWMZANEIHLPFL-GMSGAONNSA-N 1 0 301.213 2.429 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CCC[C@@H]1CO ZINC000043286381 183350881 /nfs/dbraw/zinc/35/08/81/183350881.db2.gz UIPKCNWWYZFGEY-UISBYWKRSA-N 1 0 319.268 2.356 10 0 DEAERO [NH3+][C@@H](c1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300029 183352528 /nfs/dbraw/zinc/35/25/28/183352528.db2.gz SVRHDCGOYUVTHM-KOLCDFICSA-N 1 0 309.309 2.020 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N1CCN(c2nccs2)CC1 ZINC000043334567 183355659 /nfs/dbraw/zinc/35/56/59/183355659.db2.gz ORLQLYRPQCKOFA-GXTWGEPZSA-N 1 0 306.435 2.337 10 0 DEAERO C[C@@H]([NH3+])[C@H](N1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000043376588 183357104 /nfs/dbraw/zinc/35/71/04/183357104.db2.gz FRLOJWOZFIMWLG-OCCSQVGLSA-N 1 0 301.356 2.082 10 0 DEAERO CCOC(=O)[C@H](NCC[NH+](C)C)c1ccc(Cl)c(F)c1 ZINC000043391161 183358950 /nfs/dbraw/zinc/35/89/50/183358950.db2.gz ZJVNGXZZTDTQGC-CYBMUJFWSA-N 1 0 302.777 2.235 10 0 DEAERO COC(=O)[C@H](C)Oc1c(Br)cccc1C[C@H](C)[NH3+] ZINC000043631981 183376267 /nfs/dbraw/zinc/37/62/67/183376267.db2.gz VWTBOXJJMBRMPZ-IUCAKERBSA-N 1 0 316.195 2.279 10 0 DEAERO C[NH2+][C@@H](CN(C)CC(F)(F)F)c1ccc(OC)cc1OC ZINC000043900463 183389247 /nfs/dbraw/zinc/38/92/47/183389247.db2.gz FLDOFWBUTFNVSK-LBPRGKRZSA-N 1 0 306.328 2.458 10 0 DEAERO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247364130 296277121 /nfs/dbraw/zinc/27/71/21/296277121.db2.gz QWJSAEXKLRAQSH-ILXRZTDVSA-N 1 0 311.470 2.173 10 0 DEAERO CCC(CC)[C@@H](CNC(=O)NCc1ccnn1C)[NH+]1CCCC1 ZINC000045533100 183513782 /nfs/dbraw/zinc/51/37/82/183513782.db2.gz YQVPXDPAFROVRV-MRXNPFEDSA-N 1 0 321.469 2.120 10 0 DEAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000284484837 218046431 /nfs/dbraw/zinc/04/64/31/218046431.db2.gz CDBVQGXXUWCIRF-NWDGAFQWSA-N 1 0 319.323 2.166 10 0 DEAERO O=C(NCCc1ccccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105085932 194071623 /nfs/dbraw/zinc/07/16/23/194071623.db2.gz SKWJLVZJYAYUSB-OAHLLOKOSA-N 1 0 305.397 2.248 10 0 DEAERO O=C(NCc1ccc(Cl)nc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105161720 194081174 /nfs/dbraw/zinc/08/11/74/194081174.db2.gz JBPYCSFBVLWESU-ZDUSSCGKSA-N 1 0 308.813 2.115 10 0 DEAERO O=C(NCCc1cc(F)cc(F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105213619 194085492 /nfs/dbraw/zinc/08/54/92/194085492.db2.gz UNNQQSPBUOACSX-MRXNPFEDSA-N 1 0 323.387 2.387 10 0 DEAERO CCN(CC)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000105284110 194093633 /nfs/dbraw/zinc/09/36/33/194093633.db2.gz JRNUFIYAQZOJNK-UHFFFAOYSA-N 1 0 319.449 2.195 10 0 DEAERO CC1(C)Cc2cc(CNC[C@@H](O)C[NH+]3CCCCC3)ccc2O1 ZINC000105422602 194102788 /nfs/dbraw/zinc/10/27/88/194102788.db2.gz HZJQPPYOVNNTJR-QGZVFWFLSA-N 1 0 318.461 2.337 10 0 DEAERO COc1cccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccc3)C2=O)c1 ZINC000105676187 194119139 /nfs/dbraw/zinc/11/91/39/194119139.db2.gz AJKNFMNMBXZZAF-QGZVFWFLSA-N 1 0 324.380 2.159 10 0 DEAERO CCOc1nc(N[C@H](C)c2ccc(Cl)cc2)nc(NN)[nH+]1 ZINC000159508223 197358755 /nfs/dbraw/zinc/35/87/55/197358755.db2.gz FRIDPPIAIRVJSL-MRVPVSSYSA-N 1 0 308.773 2.382 10 0 DEAERO COCC[N@@H+]1CCN(CCOc2cc(C)ccc2C)C[C@H]1C ZINC000105831830 194140435 /nfs/dbraw/zinc/14/04/35/194140435.db2.gz VKPPWGQCRAQSRU-QGZVFWFLSA-N 1 0 306.450 2.335 10 0 DEAERO COCC[N@@H+]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1C ZINC000105832535 194140728 /nfs/dbraw/zinc/14/07/28/194140728.db2.gz HQSLSMDSQRNGOZ-HNNXBMFYSA-N 1 0 310.413 2.247 10 0 DEAERO C[C@H](c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1)C1CC1 ZINC000273815467 211084653 /nfs/dbraw/zinc/08/46/53/211084653.db2.gz KLXQWZBXYUXTCS-LBPRGKRZSA-N 1 0 313.405 2.397 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCOC[C@@H]1c1ccc(C)o1 ZINC000117031566 284760357 /nfs/dbraw/zinc/76/03/57/284760357.db2.gz XVVFTLBVEGPWDX-DZGCQCFKSA-N 1 0 323.437 2.401 10 0 DEAERO c1cn(-c2ccc(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)cc2)cn1 ZINC000285285008 218365340 /nfs/dbraw/zinc/36/53/40/218365340.db2.gz JSRGQQLFULTHKQ-SFHVURJKSA-N 1 0 313.401 2.254 10 0 DEAERO C[C@]([NH3+])(C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049832468 183759889 /nfs/dbraw/zinc/75/98/89/183759889.db2.gz ULCUEGIMPIXGBK-SECBINFHSA-N 1 0 300.202 2.383 10 0 DEAERO CCN(C1(C[NH3+])CCCC1)S(=O)(=O)c1ccc(F)cc1C ZINC000050093182 183772376 /nfs/dbraw/zinc/77/23/76/183772376.db2.gz DKLPLCSLDSPGMM-UHFFFAOYSA-N 1 0 314.426 2.416 10 0 DEAERO CC[C@@](C)(C[NH3+])N(C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000050093453 183772404 /nfs/dbraw/zinc/77/24/04/183772404.db2.gz ZXLRVDQKJZUQAN-LBPRGKRZSA-N 1 0 324.368 2.453 10 0 DEAERO NNc1ccc(C(=O)NCc2ccc(Br)cc2)c[nH+]1 ZINC000051093543 183814249 /nfs/dbraw/zinc/81/42/49/183814249.db2.gz KQUAHNJMAGNEJB-UHFFFAOYSA-N 1 0 321.178 2.060 10 0 DEAERO CC(=O)NC1CCC([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000554145419 291755731 /nfs/dbraw/zinc/75/57/31/291755731.db2.gz RDHXPAOYSUDQKZ-UHFFFAOYSA-N 1 0 322.371 2.259 10 0 DEAERO Cc1ccccc1C[C@H](C[NH2+]C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000052951696 183882166 /nfs/dbraw/zinc/88/21/66/183882166.db2.gz VRLZKEUCTDBEDN-HZPDHXFCSA-N 1 0 307.459 2.340 10 0 DEAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000534530109 284848910 /nfs/dbraw/zinc/84/89/10/284848910.db2.gz MQBOXZYXJPUMBL-KGLIPLIRSA-N 1 0 301.415 2.205 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCNC(=O)C1(C)C ZINC000110653197 194347019 /nfs/dbraw/zinc/34/70/19/194347019.db2.gz UYJGPXDCKQIJAF-KBPBESRZSA-N 1 0 309.841 2.329 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCNC(=O)C1(C)C ZINC000110653922 194347399 /nfs/dbraw/zinc/34/73/99/194347399.db2.gz APOAYFQFOOCHMP-KGLIPLIRSA-N 1 0 309.841 2.329 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000110927745 194369892 /nfs/dbraw/zinc/36/98/92/194369892.db2.gz FUKZDTIEEACAMD-OAHLLOKOSA-N 1 0 310.463 2.258 10 0 DEAERO CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000110933127 194371079 /nfs/dbraw/zinc/37/10/79/194371079.db2.gz OJZDLWLMQVMAFA-NSHDSACASA-N 1 0 322.352 2.168 10 0 DEAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000110942427 194371906 /nfs/dbraw/zinc/37/19/06/194371906.db2.gz GNKNHUFPHVPKFW-CYBMUJFWSA-N 1 0 318.389 2.118 10 0 DEAERO CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1C ZINC000110941602 194372070 /nfs/dbraw/zinc/37/20/70/194372070.db2.gz GYTRAOPWPJYFOP-ZDUSSCGKSA-N 1 0 316.854 2.411 10 0 DEAERO CCN(c1ccccc1S(=O)(=O)C(F)F)[C@@H]1CCC[NH2+]C1 ZINC000110947372 194373069 /nfs/dbraw/zinc/37/30/69/194373069.db2.gz IJVWMBKBJQSFSV-LLVKDONJSA-N 1 0 318.389 2.261 10 0 DEAERO Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)n(C)n1 ZINC000057205513 184029705 /nfs/dbraw/zinc/02/97/05/184029705.db2.gz JPLIYRSOIGQSIR-HNNXBMFYSA-N 1 0 315.421 2.023 10 0 DEAERO CC[NH2+][C@@H](Cc1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000060705867 184154457 /nfs/dbraw/zinc/15/44/57/184154457.db2.gz WTXSWIRAHSDPHL-LBPRGKRZSA-N 1 0 309.353 2.271 10 0 DEAERO O=C(CN1CCC[NH2+]CC1)Nc1c2ncsc2ccc1Cl ZINC000061270240 184167135 /nfs/dbraw/zinc/16/71/35/184167135.db2.gz AVTIVBSDKXAXGW-UHFFFAOYSA-N 1 0 324.837 2.184 10 0 DEAERO CCN(CC)c1nc(Cl)nc(N[C@H](C[NH+](C)C)C(C)C)n1 ZINC000061539300 184173380 /nfs/dbraw/zinc/17/33/80/184173380.db2.gz XXERVWZLCWEFOF-LLVKDONJSA-N 1 0 314.865 2.369 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1ccc(Cl)cc1 ZINC000061592471 184175754 /nfs/dbraw/zinc/17/57/54/184175754.db2.gz VJTHECZLEYIMRG-WDEREUQCSA-N 1 0 312.826 2.333 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1ccc(Cl)s1 ZINC000061592657 184175811 /nfs/dbraw/zinc/17/58/11/184175811.db2.gz IEXFIKDKECWERS-XNCJUZBTSA-N 1 0 304.828 2.004 10 0 DEAERO Cc1ccc([C@@H](Sc2n[nH]c(=O)n2C2CC2)[C@@H](C)[NH3+])cc1 ZINC000061594517 184176014 /nfs/dbraw/zinc/17/60/14/184176014.db2.gz SUDAMEPNENZQIS-MFKMUULPSA-N 1 0 304.419 2.395 10 0 DEAERO [NH3+]C[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1Cl ZINC000061594650 184176264 /nfs/dbraw/zinc/17/62/64/184176264.db2.gz QHBSPTDXXQGRJL-LLVKDONJSA-N 1 0 310.810 2.352 10 0 DEAERO CC(C)n1c(S[C@@H](c2cccc(F)c2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061595259 184176417 /nfs/dbraw/zinc/17/64/17/184176417.db2.gz NCWJBJMEZNPIEB-JOYOIKCWSA-N 1 0 310.398 2.472 10 0 DEAERO CCCn1c(S[C@H](c2cccc(F)c2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594984 184176469 /nfs/dbraw/zinc/17/64/69/184176469.db2.gz NCEMIYCATSTXQT-CABZTGNLSA-N 1 0 310.398 2.301 10 0 DEAERO CC[C@@H](Oc1ccc(Br)cc1[C@H](C)[NH3+])C(N)=O ZINC000061676071 184181940 /nfs/dbraw/zinc/18/19/40/184181940.db2.gz QQELFQFMCWRCSC-OIBJUYFYSA-N 1 0 301.184 2.112 10 0 DEAERO C[C@@H]([NH3+])c1ccc(Sc2nnnn2C)c(Br)c1 ZINC000061699954 184183906 /nfs/dbraw/zinc/18/39/06/184183906.db2.gz QNKQHMVDXMCIJH-ZCFIWIBFSA-N 1 0 314.212 2.144 10 0 DEAERO [NH3+]Cc1ccccc1CNC(=O)c1cncc(Br)c1 ZINC000061841025 184189439 /nfs/dbraw/zinc/18/94/39/184189439.db2.gz WBLCRXBAUFTNSW-UHFFFAOYSA-N 1 0 320.190 2.233 10 0 DEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCN(CC(F)(F)F)CC2)o1 ZINC000061940772 184197340 /nfs/dbraw/zinc/19/73/40/184197340.db2.gz QMQORBULLIBWOP-YPMHNXCESA-N 1 0 305.344 2.156 10 0 DEAERO C[C@@]([NH3+])(CN1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000061948062 184197843 /nfs/dbraw/zinc/19/78/43/184197843.db2.gz XKIMTCGZGBHUKL-CQSZACIVSA-N 1 0 301.356 2.040 10 0 DEAERO C[NH2+]Cc1ccccc1CN1CCN(CC(F)(F)F)CC1 ZINC000061948324 184197871 /nfs/dbraw/zinc/19/78/71/184197871.db2.gz LSWXYYRGKCGVHD-UHFFFAOYSA-N 1 0 301.356 2.086 10 0 DEAERO CC[NH2+]CC1(CN2CCN(CC(F)(F)F)CC2)CCCC1 ZINC000061947578 184198044 /nfs/dbraw/zinc/19/80/44/184198044.db2.gz RQAFTNHSLXWWOJ-UHFFFAOYSA-N 1 0 307.404 2.336 10 0 DEAERO C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000062027779 184201855 /nfs/dbraw/zinc/20/18/55/184201855.db2.gz VAWGPPOZRWFEOB-VXGBXAGGSA-N 1 0 316.854 2.415 10 0 DEAERO C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000062027809 184202481 /nfs/dbraw/zinc/20/24/81/184202481.db2.gz CFAHPRASBURXFA-FZMZJTMJSA-N 1 0 316.854 2.415 10 0 DEAERO Clc1nc(NCCC[NH+]2CCCC2)nc(N2CCCC2)n1 ZINC000062076817 184204373 /nfs/dbraw/zinc/20/43/73/184204373.db2.gz YGHGPAJIXFZUGC-UHFFFAOYSA-N 1 0 310.833 2.023 10 0 DEAERO C[C@@H](CNC(=O)c1cc(Cl)ccc1NN)C[NH+]1CCCC1 ZINC000062070898 184204480 /nfs/dbraw/zinc/20/44/80/184204480.db2.gz KTNKQKQEEMELCH-NSHDSACASA-N 1 0 310.829 2.087 10 0 DEAERO COCCN1C(=O)CC[C@H]([NH3+])[C@H]1c1c(F)cccc1Cl ZINC000062213716 184222284 /nfs/dbraw/zinc/22/22/84/184222284.db2.gz GPFIHYJXOHVICC-FZMZJTMJSA-N 1 0 300.761 2.116 10 0 DEAERO [NH3+]C[C@H](c1cccc(Br)c1)N1CCn2ccnc2C1 ZINC000062246230 184225227 /nfs/dbraw/zinc/22/52/27/184225227.db2.gz RAKSRDCXTXYUGS-CYBMUJFWSA-N 1 0 321.222 2.161 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000062347629 184231898 /nfs/dbraw/zinc/23/18/98/184231898.db2.gz GSCNPROCDFMMOQ-HUUCEWRRSA-N 1 0 323.481 2.014 10 0 DEAERO C[C@@H]([NH3+])Cc1ccc(OCc2ncon2)c(Br)c1 ZINC000062704263 184248896 /nfs/dbraw/zinc/24/88/96/184248896.db2.gz HOJQTJKKIGSQPT-MRVPVSSYSA-N 1 0 312.167 2.301 10 0 DEAERO CCCN(CCO)c1nc2sccn2c1C[NH2+]CC(C)C ZINC000062736936 184251301 /nfs/dbraw/zinc/25/13/01/184251301.db2.gz CTYRIURSXWQFOG-UHFFFAOYSA-N 1 0 310.467 2.350 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)N[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000063213458 184278360 /nfs/dbraw/zinc/27/83/60/184278360.db2.gz VAIOYIGRYXMMTH-STQMWFEESA-N 1 0 300.399 2.072 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000063213332 184278376 /nfs/dbraw/zinc/27/83/76/184278376.db2.gz SLFPQXLHEASMNM-NWDGAFQWSA-N 1 0 320.817 2.417 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1cc(Br)c[nH]1 ZINC000063211105 184278403 /nfs/dbraw/zinc/27/84/03/184278403.db2.gz MBDKKFJFUKMSEB-ZJUUUORDSA-N 1 0 300.200 2.167 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000063213501 184278870 /nfs/dbraw/zinc/27/88/70/184278870.db2.gz PQIVCSRJWHGKGI-CHWSQXEVSA-N 1 0 302.827 2.278 10 0 DEAERO CCNS(=O)(=O)c1ccccc1N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063214793 184279096 /nfs/dbraw/zinc/27/90/96/184279096.db2.gz WCUVYERTGPDLAH-QWHCGFSZSA-N 1 0 311.451 2.057 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(Cc2ccc(C(N)=S)cc2F)C1 ZINC000062980067 184264403 /nfs/dbraw/zinc/26/44/03/184264403.db2.gz QPWXPGGRSUDWFS-AWEZNQCLSA-N 1 0 309.454 2.376 10 0 DEAERO O=Cc1c(N2CC[C@@H]([NH+]3CCCCC3)C2)nc2sccn12 ZINC000062980982 184264496 /nfs/dbraw/zinc/26/44/96/184264496.db2.gz WIPOOYHLSLAGJJ-GFCCVEGCSA-N 1 0 304.419 2.273 10 0 DEAERO COc1ccc(OCCCS(C)(=O)=O)c(C[NH2+]C(C)C)c1 ZINC000063014294 184266424 /nfs/dbraw/zinc/26/64/24/184266424.db2.gz DUJNYIFVSSUTJF-UHFFFAOYSA-N 1 0 315.435 2.007 10 0 DEAERO COc1cc([C@@H]([NH3+])CCCS(C)(=O)=O)cc(Cl)c1OC ZINC000063017047 184267052 /nfs/dbraw/zinc/26/70/52/184267052.db2.gz YBVOBWRFZUHNHY-NSHDSACASA-N 1 0 321.826 2.182 10 0 DEAERO CC[NH2+]C[C@@H](CCCS(C)(=O)=O)Cc1cccc(F)c1 ZINC000063018260 184267246 /nfs/dbraw/zinc/26/72/46/184267246.db2.gz FPOIHFUHAWLXAH-AWEZNQCLSA-N 1 0 301.427 2.419 10 0 DEAERO Cc1cc(Br)ccc1OC[C@H](O)C[NH2+]C(C)C ZINC000063061879 184268810 /nfs/dbraw/zinc/26/88/10/184268810.db2.gz HMSNNOQGQNGEBD-GFCCVEGCSA-N 1 0 302.212 2.495 10 0 DEAERO COCCC[NH2+]C[C@@H](C)Sc1ccc(S(C)(=O)=O)cc1 ZINC000063132124 184272773 /nfs/dbraw/zinc/27/27/73/184272773.db2.gz GZAZZROVWAYHMD-GFCCVEGCSA-N 1 0 317.476 2.197 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1Nc1ccccc1S(=O)(=O)C(F)(F)F ZINC000063177673 184276561 /nfs/dbraw/zinc/27/65/61/184276561.db2.gz NYZUSTPIJKRDNP-DTWKUNHWSA-N 1 0 308.325 2.272 10 0 DEAERO CCc1nc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cs1 ZINC000554937694 291784116 /nfs/dbraw/zinc/78/41/16/291784116.db2.gz MEZYTFRMWDXBRP-DOMZBBRYSA-N 1 0 310.463 2.363 10 0 DEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cccc(CCC(=O)N(C)C)c1 ZINC000066068228 184386346 /nfs/dbraw/zinc/38/63/46/184386346.db2.gz WNYJAVFAAPRTIT-CYBMUJFWSA-N 1 0 305.422 2.034 10 0 DEAERO COC(=O)C[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1Cl ZINC000066148390 184393022 /nfs/dbraw/zinc/39/30/22/184393022.db2.gz HYKNOHDRTPTWDK-VIFPVBQESA-N 1 0 301.770 2.398 10 0 DEAERO CN(C)C(=O)c1ccc(NC(=O)C[NH2+]C2CCCCC2)cc1 ZINC000066214660 184397457 /nfs/dbraw/zinc/39/74/57/184397457.db2.gz FRGXITZYHIWVOA-UHFFFAOYSA-N 1 0 303.406 2.249 10 0 DEAERO Nc1nc(CN2CCC([NH+]3CCCC3)CC2)nc2ccccc12 ZINC000066532970 184414004 /nfs/dbraw/zinc/41/40/04/184414004.db2.gz MEHACAPIJROPPD-UHFFFAOYSA-N 1 0 311.433 2.272 10 0 DEAERO CCC[NH2+][C@@](C)(C[C@H](C)Oc1ccc(F)c(F)c1)C(N)=O ZINC000068657780 184496649 /nfs/dbraw/zinc/49/66/49/184496649.db2.gz TXOOHCFPVOHVJF-BONVTDFDSA-N 1 0 300.349 2.366 10 0 DEAERO CN1CCC[C@@H]([NH+]2CCC(Oc3ccc(F)cc3F)CC2)C1=O ZINC000537600947 285004691 /nfs/dbraw/zinc/00/46/91/285004691.db2.gz OYZVPFNFKKWZSK-OAHLLOKOSA-N 1 0 324.371 2.429 10 0 DEAERO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)CCCC(F)(F)F ZINC000213815399 296346550 /nfs/dbraw/zinc/34/65/50/296346550.db2.gz XBLDXZMWZYMSSY-MNOVXSKESA-N 1 0 316.389 2.156 10 0 DEAERO C[C@@H]1SCCS[C@@H]1c1noc(-c2ccnc(C[NH3+])c2)n1 ZINC000161928906 197530334 /nfs/dbraw/zinc/53/03/34/197530334.db2.gz WQYMLUJPJBEMQW-KWQFWETISA-N 1 0 308.432 2.500 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccc(F)cc1F ZINC000538187402 285027140 /nfs/dbraw/zinc/02/71/40/285027140.db2.gz GEVBQHHQHHLHFH-MRVWCRGKSA-N 1 0 315.360 2.172 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cn(C)nc1-c1cccs1 ZINC000538317155 285031904 /nfs/dbraw/zinc/03/19/04/285031904.db2.gz LKPAGXBSTCDRPM-UHFFFAOYSA-N 1 0 306.435 2.172 10 0 DEAERO COc1cc(OC)cc([C@H]2CCN(C(=O)[C@@H]([NH3+])C(C)C)C2)c1 ZINC000119794626 195038263 /nfs/dbraw/zinc/03/82/63/195038263.db2.gz ICVGWTUCJIPVGW-LRDDRELGSA-N 1 0 306.406 2.003 10 0 DEAERO CCC[C@](C)(O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000119873826 195053422 /nfs/dbraw/zinc/05/34/22/195053422.db2.gz JSGOLFBJTVGLTE-SFHVURJKSA-N 1 0 304.434 2.450 10 0 DEAERO OCCCC1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000273040559 210420463 /nfs/dbraw/zinc/42/04/63/210420463.db2.gz WOIBSXGBBVZIJW-GOSISDBHSA-N 1 0 307.434 2.049 10 0 DEAERO [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)C1CC1 ZINC000159279955 197342171 /nfs/dbraw/zinc/34/21/71/197342171.db2.gz FFIJRDKHVJMSSF-MJBXVCDLSA-N 1 0 323.234 2.406 10 0 DEAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC000540157910 285111430 /nfs/dbraw/zinc/11/14/30/285111430.db2.gz OPACUKRYSOMCEQ-KBPBESRZSA-N 1 0 305.422 2.458 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000159270215 197340851 /nfs/dbraw/zinc/34/08/51/197340851.db2.gz MYMWGQFIXNVOET-SNVBAGLBSA-N 1 0 306.284 2.120 10 0 DEAERO NNc1cc(Nc2ccc(F)c(C(F)(F)F)c2)nc(N)[nH+]1 ZINC000159270335 197340895 /nfs/dbraw/zinc/34/08/95/197340895.db2.gz GHAHPMXBMUOHNC-UHFFFAOYSA-N 1 0 302.235 2.246 10 0 DEAERO CCCNC(=O)[C@H](C[NH3+])Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159198221 197335219 /nfs/dbraw/zinc/33/52/19/197335219.db2.gz NORCGTNJACRHER-JTQLQIEISA-N 1 0 306.303 2.488 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000159172816 197333296 /nfs/dbraw/zinc/33/32/96/197333296.db2.gz ZUEHSMOTPZJDLN-QWHCGFSZSA-N 1 0 312.410 2.233 10 0 DEAERO Cc1cc(S(=O)(=O)NC[C@H](C)C(C)C)cc(C[NH3+])c1F ZINC000159121946 197329746 /nfs/dbraw/zinc/32/97/46/197329746.db2.gz ZGHGRQHWPBTYAW-NSHDSACASA-N 1 0 302.415 2.163 10 0 DEAERO [NH3+][C@H](CS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCOC1 ZINC000159121129 197329531 /nfs/dbraw/zinc/32/95/31/197329531.db2.gz WRGAHRXXGAWHOL-PRHODGIISA-N 1 0 324.229 2.131 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCCC(C)(C)C2)cc(C[NH3+])c1F ZINC000159119745 197329032 /nfs/dbraw/zinc/32/90/32/197329032.db2.gz VIEJFLDQBLDCEV-UHFFFAOYSA-N 1 0 314.426 2.404 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)NC2CCC2)cc(C)c1F ZINC000159105998 197327818 /nfs/dbraw/zinc/32/78/18/197327818.db2.gz JXDYOMKWXASFQI-UHFFFAOYSA-N 1 0 300.399 2.074 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)[C@@H](C)C(C)C)cc(C[NH3+])c1F ZINC000159071777 197324521 /nfs/dbraw/zinc/32/45/21/197324521.db2.gz BPZIKCXTJXUMCB-NSHDSACASA-N 1 0 302.415 2.258 10 0 DEAERO COC[C@H](O)C[NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000540323452 285114998 /nfs/dbraw/zinc/11/49/98/285114998.db2.gz DRZDMIOLTGQWSR-RHSMWYFYSA-N 1 0 316.401 2.319 10 0 DEAERO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)CCC[NH+](C)C ZINC000540516844 285119446 /nfs/dbraw/zinc/11/94/46/285119446.db2.gz ZKPACKHOOYZZFP-NSHDSACASA-N 1 0 300.349 2.142 10 0 DEAERO CCC[NH2+][C@H](C)c1ccc(NC(=O)NCC[S@@](C)=O)cc1 ZINC000159013134 197319048 /nfs/dbraw/zinc/31/90/48/197319048.db2.gz FBEJEWOJGRDRQY-GTJPDFRWSA-N 1 0 311.451 2.247 10 0 DEAERO CC[C@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc(F)cc1F ZINC000158998841 197318183 /nfs/dbraw/zinc/31/81/83/197318183.db2.gz YNIPKEIWVQGVNJ-GXFFZTMASA-N 1 0 318.389 2.021 10 0 DEAERO CC(C)[NH2+][C@H]1CCN(c2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000159003154 197318277 /nfs/dbraw/zinc/31/82/77/197318277.db2.gz KBNCOJXENMBLSK-LURJTMIESA-N 1 0 308.250 2.485 10 0 DEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1c(F)c(F)c(F)c(F)c1F ZINC000159002598 197318035 /nfs/dbraw/zinc/31/80/35/197318035.db2.gz PZWGNDBVOIHIAE-ZCFIWIBFSA-N 1 0 306.234 2.239 10 0 DEAERO COc1ccc(C[C@H]([NH3+])c2c(Br)cnn2C)cc1 ZINC000158882883 197308324 /nfs/dbraw/zinc/30/83/24/197308324.db2.gz MJQZLOHGHIIZNP-LBPRGKRZSA-N 1 0 310.195 2.434 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)CCCOC)C1CCCCC1 ZINC000158860435 197307305 /nfs/dbraw/zinc/30/73/05/197307305.db2.gz YSDRMFKLSDPSTK-OAHLLOKOSA-N 1 0 305.484 2.386 10 0 DEAERO C[C@H]([C@@H](O)c1c(Br)cnn1CC[NH+](C)C)C1CC1 ZINC000158856363 197306046 /nfs/dbraw/zinc/30/60/46/197306046.db2.gz AURLOYXPMFCPMH-TVQRCGJNSA-N 1 0 316.243 2.287 10 0 DEAERO C[NH2+][C@@H](Cc1cc(OC)ccc1Br)c1cnn[nH]1 ZINC000158845885 197305603 /nfs/dbraw/zinc/30/56/03/197305603.db2.gz JPBJJCJAYWSFSX-NSHDSACASA-N 1 0 311.183 2.079 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)c1ccccc1C)[C@H]1CCOC1 ZINC000158829511 197304903 /nfs/dbraw/zinc/30/49/03/197304903.db2.gz WCKVQINBLONLTJ-LSDHHAIUSA-N 1 0 311.447 2.173 10 0 DEAERO COc1ccc(Br)cc1NC(=O)C[C@@H](C)C[NH3+] ZINC000158800676 197302791 /nfs/dbraw/zinc/30/27/91/197302791.db2.gz YHKVAMUEWITFPU-MRVPVSSYSA-N 1 0 301.184 2.381 10 0 DEAERO CC[NH2+][C@H](C[S@@](=O)c1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000158887653 197309714 /nfs/dbraw/zinc/30/97/14/197309714.db2.gz APIDHVDVYDSZET-LCCAYYTGSA-N 1 0 301.839 2.462 10 0 DEAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(F)c1 ZINC000158692073 197295153 /nfs/dbraw/zinc/29/51/53/197295153.db2.gz LSIVNBQVUAOCGE-LBPRGKRZSA-N 1 0 314.788 2.056 10 0 DEAERO CC[NH2+][C@H](C[C@H]1CCCO1)c1c(Br)cnn1C ZINC000158657074 197291897 /nfs/dbraw/zinc/29/18/97/197291897.db2.gz HXMSRDJNQPOQPE-MWLCHTKSSA-N 1 0 302.216 2.402 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(Cc3cnn(-c4ccccc4)n3)CC[C@@H]21 ZINC000158641730 197290997 /nfs/dbraw/zinc/29/09/97/197290997.db2.gz SGFNAQZOKAWWDR-QAPCUYQASA-N 1 0 311.433 2.183 10 0 DEAERO [NH3+][C@@H](c1ccc2c3c(cccc31)CC2)[C@H]1CCS(=O)(=O)C1 ZINC000158780396 197300600 /nfs/dbraw/zinc/30/06/00/197300600.db2.gz BJABGPNOWXBLKX-SUMWQHHRSA-N 1 0 301.411 2.373 10 0 DEAERO CC(C)(C)c1ccc(S(=O)(=O)C[C@H]([NH3+])[C@H]2CCOC2)cc1 ZINC000158771409 197300383 /nfs/dbraw/zinc/30/03/83/197300383.db2.gz MCNIHVAMZNZRCR-WFASDCNBSA-N 1 0 311.447 2.122 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)c1ccc(C)cc1C)[C@@H]1CCOC1 ZINC000158736998 197298175 /nfs/dbraw/zinc/29/81/75/197298175.db2.gz IBFZFGFDTIWIEZ-HUUCEWRRSA-N 1 0 311.447 2.092 10 0 DEAERO CC(C)NC(=O)CC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000158253609 197256879 /nfs/dbraw/zinc/25/68/79/197256879.db2.gz VCMLZGTVULRLLY-UHFFFAOYSA-N 1 0 315.211 2.159 10 0 DEAERO C[C@H]1OCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccc(N)cc1Cl ZINC000158179196 197250294 /nfs/dbraw/zinc/25/02/94/197250294.db2.gz PAEJGQNCQOVDBG-YGRLFVJLSA-N 1 0 311.813 2.360 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2ccc3nc(N)sc3c2)CC[N@@H+]1C ZINC000157825837 197218413 /nfs/dbraw/zinc/21/84/13/197218413.db2.gz MQVQJNQEKFVCQO-MWLCHTKSSA-N 1 0 304.419 2.091 10 0 DEAERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCOCC1CCC1 ZINC000557993835 291881430 /nfs/dbraw/zinc/88/14/30/291881430.db2.gz JOGIARHXIYJBGK-HOCLYGCPSA-N 1 0 309.454 2.071 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)CCOCC)cc1 ZINC000157290515 197176896 /nfs/dbraw/zinc/17/68/96/197176896.db2.gz UPOOUZQBOSZRIQ-ZDUSSCGKSA-N 1 0 314.451 2.014 10 0 DEAERO C[C@@H]1CCC[C@@](CNC(=O)c2nnc(Cl)s2)([NH+](C)C)C1 ZINC000157242810 197173028 /nfs/dbraw/zinc/17/30/28/197173028.db2.gz ZNISBBHWVOARLW-NOZJJQNGSA-N 1 0 316.858 2.432 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1c[nH]c2ncccc12 ZINC000157123592 197163817 /nfs/dbraw/zinc/16/38/17/197163817.db2.gz RBQXTQHJGQWJSK-CQSZACIVSA-N 1 0 302.422 2.198 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc3c2OCCC3=O)C1 ZINC000541878489 285194364 /nfs/dbraw/zinc/19/43/64/285194364.db2.gz YCZZCQUNYGAFOW-GFCCVEGCSA-N 1 0 317.389 2.115 10 0 DEAERO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1cc(Br)ccc1F ZINC000156841249 197144663 /nfs/dbraw/zinc/14/46/63/197144663.db2.gz JIKPKZARPKATBX-HTQZYQBOSA-N 1 0 303.175 2.188 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccccc1S(=O)(=O)C(F)(F)F ZINC000156241705 197098098 /nfs/dbraw/zinc/09/80/98/197098098.db2.gz CNEKEJIKJMVGGO-ZJUUUORDSA-N 1 0 322.352 2.296 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000156091878 197086433 /nfs/dbraw/zinc/08/64/33/197086433.db2.gz VEJCTHUYBWKSHY-NTSWFWBYSA-N 1 0 308.250 2.334 10 0 DEAERO CC1=NN(c2ccc(C(=O)N3[C@H](C)C[NH+](C)C[C@H]3C)cc2)CC1 ZINC000155594160 197070219 /nfs/dbraw/zinc/07/02/19/197070219.db2.gz VZFPSBSQEFIUQK-HUUCEWRRSA-N 1 0 314.433 2.437 10 0 DEAERO CCOc1ccc(OCC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1 ZINC000155360555 197046795 /nfs/dbraw/zinc/04/67/95/197046795.db2.gz VCDSUZFHJKDHPZ-OKILXGFUSA-N 1 0 306.406 2.015 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1cc(F)c(F)cc1F ZINC000155310720 197042253 /nfs/dbraw/zinc/04/22/53/197042253.db2.gz OUOCFRUUBVSBLC-NXEZZACHSA-N 1 0 300.324 2.197 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000155211282 197032894 /nfs/dbraw/zinc/03/28/94/197032894.db2.gz NMQRZHZGGYPBRL-UHFFFAOYSA-N 1 0 319.453 2.172 10 0 DEAERO CCC(CC)[C@H](CNC(=O)Nc1cnc(N(C)C)nc1)[NH+](C)C ZINC000155068936 197018352 /nfs/dbraw/zinc/01/83/52/197018352.db2.gz YWNXEJZTQDUALA-AWEZNQCLSA-N 1 0 322.457 2.031 10 0 DEAERO C[C@H](c1ccccn1)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000155115913 197023621 /nfs/dbraw/zinc/02/36/21/197023621.db2.gz JELGYTMNHOXXIR-MRXNPFEDSA-N 1 0 313.449 2.436 10 0 DEAERO CC(C)Cc1ccc([C@@H](C)[NH2+]CCCN2C(=O)CNC2=O)cc1 ZINC000154312777 196956935 /nfs/dbraw/zinc/95/69/35/196956935.db2.gz FLAYPIZLLGZLFJ-CQSZACIVSA-N 1 0 317.433 2.478 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000120623259 195203217 /nfs/dbraw/zinc/20/32/17/195203217.db2.gz RKUQOEPSEALSLJ-SMDDNHRTSA-N 1 0 323.824 2.220 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCCc2cc3ccccc3o2)C1 ZINC000120737987 195227803 /nfs/dbraw/zinc/22/78/03/195227803.db2.gz OMHGBGXJHVWZRK-AWEZNQCLSA-N 1 0 301.390 2.321 10 0 DEAERO CC(C)CCn1cccc1CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000120676163 195214450 /nfs/dbraw/zinc/21/44/50/195214450.db2.gz VFUDTDXKUXOYHA-DLBZAZTESA-N 1 0 307.482 2.421 10 0 DEAERO Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000120721589 195224311 /nfs/dbraw/zinc/22/43/11/195224311.db2.gz ZJMNGZFKOCQOBA-HIFRSBDPSA-N 1 0 317.433 2.183 10 0 DEAERO CC[C@@H]1CN(Cc2ccccc2C(=O)OC)CC[N@@H+]1CCOC ZINC000120907532 195261744 /nfs/dbraw/zinc/26/17/44/195261744.db2.gz GGKVQUROYDUEQZ-MRXNPFEDSA-N 1 0 320.433 2.016 10 0 DEAERO Cc1occc1C(=O)N1CC[C@@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2 ZINC000247996558 257112138 /nfs/dbraw/zinc/11/21/38/257112138.db2.gz DAEVYKWWLNVQLZ-YJBOKZPZSA-N 1 0 318.417 2.448 10 0 DEAERO c1cc(C[N@@H+]2C[C@@H](Oc3ccccn3)[C@@H]3OCCC[C@@H]32)co1 ZINC000247972189 257113047 /nfs/dbraw/zinc/11/30/47/257113047.db2.gz SOXWCSIHZLJIQM-ZMSDIMECSA-N 1 0 300.358 2.485 10 0 DEAERO c1coc(C[N@@H+]2C[C@@H](Oc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC000247955268 257113751 /nfs/dbraw/zinc/11/37/51/257113751.db2.gz ZXMXPUKQUOWUER-GVDBMIGSSA-N 1 0 300.358 2.485 10 0 DEAERO O=C(NCc1cccs1)[C@]12CCO[C@H]1CC[N@H+](CC1CC1)C2 ZINC000247500001 257119268 /nfs/dbraw/zinc/11/92/68/257119268.db2.gz PMTXBFCGBZYQTG-RDJZCZTQSA-N 1 0 320.458 2.255 10 0 DEAERO c1ccc(NC[C@@H]2CO[C@H]3C[N@H+](Cc4cccnc4)C[C@@H]23)nc1 ZINC000253602728 257105732 /nfs/dbraw/zinc/10/57/32/257105732.db2.gz RECDCIVPPPOLRI-IKGGRYGDSA-N 1 0 310.401 2.036 10 0 DEAERO CC[N@@H+]1C[C@@H](COC)[C@]2(CCN(Cc3cccc(C)n3)C2)C1 ZINC000503720675 257207645 /nfs/dbraw/zinc/20/76/45/257207645.db2.gz VDFBRPWJUZCKEE-FUHWJXTLSA-N 1 0 303.450 2.180 10 0 DEAERO COC(=O)[C@H](C1CC1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444783058 533228341 /nfs/dbraw/zinc/22/83/41/533228341.db2.gz KIKZKZUNIDVURX-KRWDZBQOSA-N 1 0 317.429 2.255 10 0 DEAERO O[C@H](COC1CCOCC1)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000121046158 195286479 /nfs/dbraw/zinc/28/64/79/195286479.db2.gz WYKVHGLGJLCYSW-FUHWJXTLSA-N 1 0 309.450 2.365 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000121641546 195321633 /nfs/dbraw/zinc/32/16/33/195321633.db2.gz GQLUEDDTYQSCSQ-CABCVRRESA-N 1 0 311.470 2.173 10 0 DEAERO Cc1cccc([C@H](O)CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000121809829 195353177 /nfs/dbraw/zinc/35/31/77/195353177.db2.gz UAKRJJWZFMXKDV-USXIJHARSA-N 1 0 319.449 2.056 10 0 DEAERO C[NH2+]CCCNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000121623693 195318246 /nfs/dbraw/zinc/31/82/46/195318246.db2.gz MSCSPMSRVXLJDT-STQMWFEESA-N 1 0 311.223 2.278 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000122021987 195389953 /nfs/dbraw/zinc/38/99/53/195389953.db2.gz GWPBOVMLBYQMHB-PBHICJAKSA-N 1 0 302.418 2.335 10 0 DEAERO C[C@@H](C[NH3+])CCC(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000124264888 195621909 /nfs/dbraw/zinc/62/19/09/195621909.db2.gz VXCMBPAQYCVUSW-SECBINFHSA-N 1 0 305.300 2.336 10 0 DEAERO CCNc1ncc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000125119853 195714320 /nfs/dbraw/zinc/71/43/20/195714320.db2.gz FQNVNYMZABVAJW-MFKMUULPSA-N 1 0 310.829 2.189 10 0 DEAERO CC[NH2+]CCCCS(=O)(=O)N[C@H](C)c1ncc(CC)s1 ZINC000126036375 195804611 /nfs/dbraw/zinc/80/46/11/195804611.db2.gz VOVSBBMFGRZFGK-LLVKDONJSA-N 1 0 319.496 2.076 10 0 DEAERO COc1ccc(NC(=O)[C@@H](C)N2CCC([NH+](C)C)CC2)cc1 ZINC000127866613 195917317 /nfs/dbraw/zinc/91/73/17/195917317.db2.gz OPDBPWVVHXUBJX-CYBMUJFWSA-N 1 0 305.422 2.048 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)[C@H](C)C1 ZINC000248845880 285389430 /nfs/dbraw/zinc/38/94/30/285389430.db2.gz OFRTTWDXFPVXAD-MXASKKJJSA-N 1 0 323.481 2.316 10 0 DEAERO C[NH2+]Cc1cc(O[C@@H](C)C(=O)N(C)C)ccc1Br ZINC000128110726 195936818 /nfs/dbraw/zinc/93/68/18/195936818.db2.gz VQGOUNNLPPWXHW-VIFPVBQESA-N 1 0 315.211 2.024 10 0 DEAERO COc1ccc2c(CN3CC[N@@H+]4CCC[C@H]4C3)cc(=O)oc2c1 ZINC000246385353 533239265 /nfs/dbraw/zinc/23/92/65/533239265.db2.gz OXAPVAFPEHPSDG-AWEZNQCLSA-N 1 0 314.385 2.082 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(CCC(C)C)nn2)[C@H](C)C1 ZINC000122240427 132162785 /nfs/dbraw/zinc/16/27/85/132162785.db2.gz TUYXTGATMSWZLO-GDBMZVCRSA-N 1 0 321.469 2.127 10 0 DEAERO COC[C@@H](C)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000174370153 132508671 /nfs/dbraw/zinc/50/86/71/132508671.db2.gz HQVHZVIWFODBJM-CYBMUJFWSA-N 1 0 303.406 2.424 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2ccccc2)CC1 ZINC000176878732 132522922 /nfs/dbraw/zinc/52/29/22/132522922.db2.gz IEVYITADZVIOJA-MRXNPFEDSA-N 1 0 318.461 2.170 10 0 DEAERO CC(C)n1nnnc1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000195433103 132547984 /nfs/dbraw/zinc/54/79/84/132547984.db2.gz ZOPFHDLGVDRVMF-INIZCTEOSA-N 1 0 320.485 2.198 10 0 DEAERO C[NH2+]CCc1ccccc1C(=O)N(C)Cc1csc(C)n1 ZINC000228502763 132552111 /nfs/dbraw/zinc/55/21/11/132552111.db2.gz RJJZWNZSBMIAJD-UHFFFAOYSA-N 1 0 303.431 2.486 10 0 DEAERO CC(C)NC(=O)C[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000685947106 542769553 /nfs/dbraw/zinc/76/95/53/542769553.db2.gz IVUMHHFSSQKKMS-QMMMGPOBSA-N 1 0 305.241 2.468 10 0 DEAERO CC[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242591 542770135 /nfs/dbraw/zinc/77/01/35/542770135.db2.gz JKLLRCOUUPJYEQ-MLGOLLRUSA-N 1 0 308.426 2.084 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)Cc2ccn(C(C)C)n2)C1 ZINC000355409910 133024669 /nfs/dbraw/zinc/02/46/69/133024669.db2.gz GGFAQUPMJBLAKT-GDBMZVCRSA-N 1 0 306.454 2.243 10 0 DEAERO C[C@@H]1OCC[C@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000355848208 133052103 /nfs/dbraw/zinc/05/21/03/133052103.db2.gz CMHVBOPIBQPZNY-WMLDXEAASA-N 1 0 302.418 2.192 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000357959278 133111991 /nfs/dbraw/zinc/11/19/91/133111991.db2.gz PAGOOXJRDWRRHH-OAHLLOKOSA-N 1 0 317.437 2.338 10 0 DEAERO CCCN(CC[NH+]1CCCCC1)C(=O)NCCc1cc(C)no1 ZINC000358040198 133117586 /nfs/dbraw/zinc/11/75/86/133117586.db2.gz VYTMAVUXPPZAFQ-UHFFFAOYSA-N 1 0 322.453 2.433 10 0 DEAERO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000358191859 133127352 /nfs/dbraw/zinc/12/73/52/133127352.db2.gz PDLHMOPHUMYSBQ-ZWKOTPCHSA-N 1 0 314.429 2.352 10 0 DEAERO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000358208575 133128648 /nfs/dbraw/zinc/12/86/48/133128648.db2.gz WGFXKXSBFIMFMU-GXTWGEPZSA-N 1 0 308.447 2.487 10 0 DEAERO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000358220506 133129453 /nfs/dbraw/zinc/12/94/53/133129453.db2.gz LFIZZEYQBFAVCF-OQPBUACISA-N 1 0 320.311 2.227 10 0 DEAERO c1ccc2c(c1)CC[C@@H](C[NH+]1CCN(C[C@H]3CCOC3)CC1)C2 ZINC000359591334 133132529 /nfs/dbraw/zinc/13/25/29/133132529.db2.gz WCBLOZHLBSGXPX-QZTJIDSGSA-N 1 0 314.473 2.446 10 0 DEAERO O=C(NC[C@@H](CO)C1CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000359772006 133143650 /nfs/dbraw/zinc/14/36/50/133143650.db2.gz CLSNHHPGZHBYOK-KRWDZBQOSA-N 1 0 302.418 2.031 10 0 DEAERO O=C(NC[C@@H](CO)C1CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000359823401 133147214 /nfs/dbraw/zinc/14/72/14/133147214.db2.gz PBNDOTFVGXYXKX-SFHVURJKSA-N 1 0 316.445 2.421 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000360482772 133184879 /nfs/dbraw/zinc/18/48/79/133184879.db2.gz NQZYPESQZGKKFQ-UGUYLWEFSA-N 1 0 311.470 2.079 10 0 DEAERO OC[C@H]1C[C@H](O)CN1Cc1cc(Cl)ccc1Br ZINC000376297441 133290076 /nfs/dbraw/zinc/29/00/76/133290076.db2.gz ZXYLIVPNCHEQPE-MNOVXSKESA-N 1 0 320.614 2.030 10 0 DEAERO Cc1ncc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000376606327 133301863 /nfs/dbraw/zinc/30/18/63/133301863.db2.gz MRFSHWIKELARCI-FUNVUKJBSA-N 1 0 308.451 2.218 10 0 DEAERO CCCc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000377567016 133335503 /nfs/dbraw/zinc/33/55/03/133335503.db2.gz NYDGVMNMOYFPEP-ROUUACIJSA-N 1 0 316.445 2.310 10 0 DEAERO COC(=O)C1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000373334530 133387402 /nfs/dbraw/zinc/38/74/02/133387402.db2.gz UZNOIECNRXSWCQ-HNNXBMFYSA-N 1 0 322.449 2.054 10 0 DEAERO NC(=O)c1cc(Cl)ccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201552 134813625 /nfs/dbraw/zinc/81/36/25/134813625.db2.gz ZKPBGCLUZHEDOE-CQSZACIVSA-N 1 0 307.825 2.407 10 0 DEAERO CN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000068315704 134840928 /nfs/dbraw/zinc/84/09/28/134840928.db2.gz OBWJMAHWVPVQKD-UHFFFAOYSA-N 1 0 316.449 2.238 10 0 DEAERO Cc1cn(-c2ccccc2)nc1C(=O)N(C)CCC[NH+](C)C ZINC000547456528 285583439 /nfs/dbraw/zinc/58/34/39/285583439.db2.gz XAEROJFKEUQTND-UHFFFAOYSA-N 1 0 300.406 2.204 10 0 DEAERO COC(=O)c1coc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000183450022 292032733 /nfs/dbraw/zinc/03/27/33/292032733.db2.gz FZNQTRHVDSHFKI-JHJVBQTASA-N 1 0 322.405 2.162 10 0 DEAERO c1nc(C2CC2)sc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000563811567 292074508 /nfs/dbraw/zinc/07/45/08/292074508.db2.gz BDNOOJJALYFTLK-GFCCVEGCSA-N 1 0 301.419 2.497 10 0 DEAERO COC(C[N@H+](CCCO)C[C@@H]1CCC2(CCCCC2)O1)OC ZINC000191015614 292078805 /nfs/dbraw/zinc/07/88/05/292078805.db2.gz LRVCGZAAXYYVEC-HNNXBMFYSA-N 1 0 315.454 2.172 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000247029055 292087251 /nfs/dbraw/zinc/08/72/51/292087251.db2.gz GGIHQRMQDBNPFR-CABCVRRESA-N 1 0 308.447 2.161 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246087829 292087368 /nfs/dbraw/zinc/08/73/68/292087368.db2.gz GHXZRRHBLGDMSA-HUUCEWRRSA-N 1 0 310.463 2.310 10 0 DEAERO CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccnn2C)CC1 ZINC000122475671 144692531 /nfs/dbraw/zinc/69/25/31/144692531.db2.gz PRQAEUACLZBWNR-UHFFFAOYSA-N 1 0 321.469 2.074 10 0 DEAERO O=C(Cc1cccc(O)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171138797 144807869 /nfs/dbraw/zinc/80/78/69/144807869.db2.gz UIZSDHDJLBQHKJ-UHFFFAOYSA-N 1 0 302.418 2.269 10 0 DEAERO O=C([C@H]1C[C@H]1c1cccc(Br)c1)N1CCC[NH2+]CC1 ZINC000178362765 144857920 /nfs/dbraw/zinc/85/79/20/144857920.db2.gz JOYZGSPRQKUPCW-KBPBESRZSA-N 1 0 323.234 2.375 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000178689534 144862512 /nfs/dbraw/zinc/86/25/12/144862512.db2.gz GAKLNPAUGRVGPJ-UHFFFAOYSA-N 1 0 318.421 2.027 10 0 DEAERO CCc1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccccc1 ZINC000549502065 285845889 /nfs/dbraw/zinc/84/58/89/285845889.db2.gz XJZHTUGUBSNYNM-UHFFFAOYSA-N 1 0 313.449 2.419 10 0 DEAERO C[C@@H]1C[C@@H](N(C)Cc2nnc(C3CC3)n2C2CC2)CC[N@@H+]1C ZINC000181411431 144905189 /nfs/dbraw/zinc/90/51/89/144905189.db2.gz BYOXABFNCATQFY-DOMZBBRYSA-N 1 0 303.454 2.405 10 0 DEAERO Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3coc(C[NH3+])c3)cc2)n1 ZINC000187527877 145000246 /nfs/dbraw/zinc/00/02/46/145000246.db2.gz HHXITILPUYTNAM-UHFFFAOYSA-N 1 0 324.340 2.049 10 0 DEAERO C[C@H](NC(=O)c1coc(C[NH3+])c1)c1ccccc1-n1cccn1 ZINC000187745815 145003121 /nfs/dbraw/zinc/00/31/21/145003121.db2.gz NJYRWQGAVGHXRJ-LBPRGKRZSA-N 1 0 310.357 2.415 10 0 DEAERO CSC[C@@H](O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000187869580 145004462 /nfs/dbraw/zinc/00/44/62/145004462.db2.gz PUQVLYUEXHOBJA-KRWDZBQOSA-N 1 0 320.502 2.485 10 0 DEAERO CCc1nn(C)c(CC)c1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000188041711 145006566 /nfs/dbraw/zinc/00/65/66/145006566.db2.gz WIQCPWPNAUEKNS-ZIAGYGMSSA-N 1 0 320.481 2.029 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000188243425 145009183 /nfs/dbraw/zinc/00/91/83/145009183.db2.gz RJOLLFRYQVWREM-MRXNPFEDSA-N 1 0 313.486 2.157 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]nnc1-c1ccccc1 ZINC000189107878 145022542 /nfs/dbraw/zinc/02/25/42/145022542.db2.gz VQFNEDWRVWMRNW-ZDUSSCGKSA-N 1 0 313.405 2.076 10 0 DEAERO Cn1ccnc(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1=O ZINC000189223077 145023763 /nfs/dbraw/zinc/02/37/63/145023763.db2.gz UHEXEXJTSHFKRU-SFHVURJKSA-N 1 0 312.417 2.247 10 0 DEAERO C[NH+](C)C1CCN(C(=O)[C@H]2CCCc3c(O)cccc32)CC1 ZINC000190331091 145040410 /nfs/dbraw/zinc/04/04/10/145040410.db2.gz KWKHXHRQDGRGBT-INIZCTEOSA-N 1 0 302.418 2.365 10 0 DEAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000190326762 145040775 /nfs/dbraw/zinc/04/07/75/145040775.db2.gz UMJBXPDQOMUZJP-INIZCTEOSA-N 1 0 308.466 2.406 10 0 DEAERO CCC[C@H](C(=O)N1CCC(Nc2nccs2)CC1)[NH+](C)C ZINC000190420517 145042264 /nfs/dbraw/zinc/04/22/64/145042264.db2.gz YTNIXTULAABGDA-CYBMUJFWSA-N 1 0 310.467 2.276 10 0 DEAERO CCOC1CC(CCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)C1 ZINC000191702772 145062654 /nfs/dbraw/zinc/06/26/54/145062654.db2.gz GSOSJWDTPMMALM-JCCCHCCOSA-N 1 0 323.481 2.460 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCSC[C@H](C)C1 ZINC000192344243 145072909 /nfs/dbraw/zinc/07/29/09/145072909.db2.gz KOROKSJVFNFTLV-KGLIPLIRSA-N 1 0 301.500 2.357 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(-n2ccnc2)cc1C ZINC000192066279 145069974 /nfs/dbraw/zinc/06/99/74/145069974.db2.gz DLPNJBNUBMVWPP-QGZVFWFLSA-N 1 0 303.406 2.058 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192058463 145070395 /nfs/dbraw/zinc/07/03/95/145070395.db2.gz GWTJAHIRULTFKD-GJZGRUSLSA-N 1 0 303.406 2.142 10 0 DEAERO CCCCOC[C@H](O)C[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000193373818 145085259 /nfs/dbraw/zinc/08/52/59/145085259.db2.gz NXIIGZLUQCREQI-MRXNPFEDSA-N 1 0 320.433 2.181 10 0 DEAERO Cc1ccc(NC(=O)[C@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1C ZINC000193620346 145087553 /nfs/dbraw/zinc/08/75/53/145087553.db2.gz SJHUGICTTHHJFJ-HRCADAONSA-N 1 0 301.434 2.124 10 0 DEAERO CCN(C(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)C1CCCCC1 ZINC000193610189 145088254 /nfs/dbraw/zinc/08/82/54/145088254.db2.gz RJJBTGWXZLVGKY-OAGGEKHMSA-N 1 0 307.482 2.050 10 0 DEAERO C[N@H+]1C[C@H]2CN(Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]2C1 ZINC000193642064 145089207 /nfs/dbraw/zinc/08/92/07/145089207.db2.gz VPFYIFMITUJOPS-OKILXGFUSA-N 1 0 301.365 2.474 10 0 DEAERO CCO[C@H](CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)C(C)C ZINC000245436178 145092780 /nfs/dbraw/zinc/09/27/80/145092780.db2.gz QUSYNSAQUFRPRK-OWCLPIDISA-N 1 0 311.470 2.316 10 0 DEAERO 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/nfs/dbraw/zinc/18/77/57/145187757.db2.gz ZPPOODQDUMXCLR-FVQBIDKESA-N 1 0 322.474 2.014 10 0 DEAERO c1ccc(CCN2CC[C@H]([NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)C2)cc1 ZINC000249892188 145190696 /nfs/dbraw/zinc/19/06/96/145190696.db2.gz QVEWSYOUMFHEBI-MANSERQUSA-N 1 0 300.446 2.461 10 0 DEAERO CO[C@@H]1C[N@H+](CC(=O)NCc2ccc(Cl)cc2)CC[C@H]1C ZINC000251608814 145194692 /nfs/dbraw/zinc/19/46/92/145194692.db2.gz GBNRCORDMJCMMS-IUODEOHRSA-N 1 0 310.825 2.313 10 0 DEAERO CCO[C@@H]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H]1Oc1ccccc1 ZINC000251665869 145195346 /nfs/dbraw/zinc/19/53/46/145195346.db2.gz LJKQOYKOZGJYBD-NUJGCVRESA-N 1 0 320.433 2.069 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2Cl)CC[C@@H]1C ZINC000251903580 145197338 /nfs/dbraw/zinc/19/73/38/145197338.db2.gz RDSQIJBDQLDGSU-WOSRLPQWSA-N 1 0 313.825 2.437 10 0 DEAERO CO[C@@H]1C[N@H+](CCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1C ZINC000251913613 145197402 /nfs/dbraw/zinc/19/74/02/145197402.db2.gz RXOABZFIGBJNNS-XJKSGUPXSA-N 1 0 316.401 2.030 10 0 DEAERO C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000251990350 145197783 /nfs/dbraw/zinc/19/77/83/145197783.db2.gz IXWDACALKMEZOX-WBVHZDCISA-N 1 0 302.418 2.318 10 0 DEAERO CN(Cc1cnc(N)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261546336 145206798 /nfs/dbraw/zinc/20/67/98/145206798.db2.gz KVVBVYDUFQDIFD-AWEZNQCLSA-N 1 0 302.447 2.432 10 0 DEAERO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000261629789 145211967 /nfs/dbraw/zinc/21/19/67/145211967.db2.gz CVHVJRXULIFGHE-OAHLLOKOSA-N 1 0 313.401 2.448 10 0 DEAERO C[C@@H](NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000261634016 145212413 /nfs/dbraw/zinc/21/24/13/145212413.db2.gz CJLBAGXAJWMRGA-AJSFGMTHSA-N 1 0 319.424 2.218 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261657290 145214450 /nfs/dbraw/zinc/21/44/50/145214450.db2.gz WISQLBBPNURCQF-JQWIXIFHSA-N 1 0 316.854 2.396 10 0 DEAERO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261683248 145216090 /nfs/dbraw/zinc/21/60/90/145216090.db2.gz KECYRJIYZYISAD-INMHGKMJSA-N 1 0 317.477 2.354 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cnc(-c2ccncc2)s1 ZINC000261680659 145216345 /nfs/dbraw/zinc/21/63/45/145216345.db2.gz BVTAQBFNGWPWLY-MNOVXSKESA-N 1 0 302.403 2.014 10 0 DEAERO CCC(=O)c1ccc(OCC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000261712313 145218850 /nfs/dbraw/zinc/21/88/50/145218850.db2.gz GHKHEGNLGWXRCD-HIFRSBDPSA-N 1 0 318.417 2.244 10 0 DEAERO Cc1cc(C)c(NC(=O)CN(C)C[C@@]2(C)CC[NH2+]C2)c(C)c1 ZINC000261716662 145219610 /nfs/dbraw/zinc/21/96/10/145219610.db2.gz FFADDNOMBYOHEQ-SFHVURJKSA-N 1 0 303.450 2.482 10 0 DEAERO COc1cc(OC)c(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1 ZINC000261762129 145223175 /nfs/dbraw/zinc/22/31/75/145223175.db2.gz PXZWNVSOXXNCIH-PBWFPOADSA-N 1 0 320.433 2.427 10 0 DEAERO CC1(C)CN([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC[C@H]1[NH3+] ZINC000261756137 145223410 /nfs/dbraw/zinc/22/34/10/145223410.db2.gz LLURFTJXJONJSV-ZIAGYGMSSA-N 1 0 323.387 2.129 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2ccc(Cl)cc2F)CC[C@@H]1[NH3+] ZINC000261776216 145224768 /nfs/dbraw/zinc/22/47/68/145224768.db2.gz PCLPXQIXVXPXDI-LBPRGKRZSA-N 1 0 320.817 2.227 10 0 DEAERO [NH3+][C@H](C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)C1CCOCC1 ZINC000261794979 145227587 /nfs/dbraw/zinc/22/75/87/145227587.db2.gz NUFVTUVMGZLURI-HOCLYGCPSA-N 1 0 322.836 2.410 10 0 DEAERO CCCN(CCC)C(=O)CCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261805904 145228084 /nfs/dbraw/zinc/22/80/84/145228084.db2.gz NAFBAWXWHWHZHC-HUUCEWRRSA-N 1 0 311.470 2.001 10 0 DEAERO COc1ccccc1NC(=O)[C@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261815845 145229512 /nfs/dbraw/zinc/22/95/12/145229512.db2.gz PCBVHLAIQUBYDI-SWLSCSKDSA-N 1 0 305.422 2.081 10 0 DEAERO Cc1nn(C(F)F)c(C)c1CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261814393 145229812 /nfs/dbraw/zinc/22/98/12/145229812.db2.gz HOGDVJHWLFBZTK-LBPRGKRZSA-N 1 0 314.380 2.023 10 0 DEAERO C[C@H]1CCCN1C(=O)CCN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261829095 145231595 /nfs/dbraw/zinc/23/15/95/145231595.db2.gz SUNKJJFFLQRJML-WMLDXEAASA-N 1 0 319.424 2.173 10 0 DEAERO CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000261862579 145234332 /nfs/dbraw/zinc/23/43/32/145234332.db2.gz XAJHJBAJZHCUOD-ZIAGYGMSSA-N 1 0 303.406 2.058 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1ccc(F)c(F)c1 ZINC000261878064 145237227 /nfs/dbraw/zinc/23/72/27/145237227.db2.gz MEAJIYSNQHUMPH-KHIZAZIESA-N 1 0 324.371 2.114 10 0 DEAERO C[C@H](NC(=O)[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000261883669 145237396 /nfs/dbraw/zinc/23/73/96/145237396.db2.gz UVSNKKZSXANXLS-XEZPLFJOSA-N 1 0 321.440 2.451 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)NC2CC2)cc1 ZINC000261878523 145237410 /nfs/dbraw/zinc/23/74/10/145237410.db2.gz YSZWHGPRSJUCGH-IAQYHMDHSA-N 1 0 316.405 2.284 10 0 DEAERO C[C@@]1(CN2CCN(C(=O)CCC3CCCC3)CC2)CC[NH2+]C1 ZINC000261887232 145238061 /nfs/dbraw/zinc/23/80/61/145238061.db2.gz SFBFRZNYUMROSD-GOSISDBHSA-N 1 0 307.482 2.101 10 0 DEAERO [NH3+][C@@H](C(=O)Nc1ccc2nc(C3CC3)oc2c1)C1CCOCC1 ZINC000261909976 145240166 /nfs/dbraw/zinc/24/01/66/145240166.db2.gz XLBKCITVYJJIRO-OAHLLOKOSA-N 1 0 315.373 2.398 10 0 DEAERO c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261913324 145241164 /nfs/dbraw/zinc/24/11/64/145241164.db2.gz JISHNFZNFIUQAL-QRQLOZEOSA-N 1 0 313.445 2.457 10 0 DEAERO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261920926 145242047 /nfs/dbraw/zinc/24/20/47/145242047.db2.gz YUMUJQXCSKMLDB-UPJWGTAASA-N 1 0 324.371 2.190 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1c[nH]c2ncccc12 ZINC000261942084 145244702 /nfs/dbraw/zinc/24/47/02/145244702.db2.gz XOYKOKLCAZBIHL-ZKHDCCDFSA-N 1 0 312.417 2.128 10 0 DEAERO Cc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000261952309 145246495 /nfs/dbraw/zinc/24/64/95/145246495.db2.gz NHQKSQQXEZEYHL-XYPWUTKMSA-N 1 0 301.434 2.457 10 0 DEAERO COCC[C@]1(C(=O)N[C@H](C)C(C)(C)c2ccccc2)CC[NH2+]C1 ZINC000261968122 145247815 /nfs/dbraw/zinc/24/78/15/145247815.db2.gz SYKFBJBAJPNWPP-DNVCBOLYSA-N 1 0 318.461 2.485 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000261970397 145248252 /nfs/dbraw/zinc/24/82/52/145248252.db2.gz QAPKPOMXPJFNSF-WWGRRREGSA-N 1 0 307.413 2.205 10 0 DEAERO CCN(C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000261980673 145249168 /nfs/dbraw/zinc/24/91/68/145249168.db2.gz RFPCIUQTAVNLBM-FKEKPDDDSA-N 1 0 307.482 2.382 10 0 DEAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@H]2CC(C)(C)C)cn1 ZINC000261997009 145250801 /nfs/dbraw/zinc/25/08/01/145250801.db2.gz UDNCNXYMWVZAFL-XHSDSOJGSA-N 1 0 318.465 2.150 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000262009242 145252931 /nfs/dbraw/zinc/25/29/31/145252931.db2.gz MDOBVRWFLSWDOZ-UHFFFAOYSA-N 1 0 322.405 2.018 10 0 DEAERO COc1ccccc1[C@@H]1CNCCN1C(=O)c1cccc(N)c1 ZINC000262018788 145253703 /nfs/dbraw/zinc/25/37/03/145253703.db2.gz RKVCMVGUSVSVSO-INIZCTEOSA-N 1 0 311.385 2.064 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1OC[C@@H]1CCCCO1)C1C[NH2+]C1 ZINC000262052350 145257720 /nfs/dbraw/zinc/25/77/20/145257720.db2.gz HOMFCLFMZGMPQG-ZFWWWQNUSA-N 1 0 318.417 2.429 10 0 DEAERO [NH3+]Cc1ccc(-c2noc(CN3CCCCCC3=O)n2)cc1 ZINC000262068771 145259043 /nfs/dbraw/zinc/25/90/43/145259043.db2.gz RWKVZKWBGQXRQI-UHFFFAOYSA-N 1 0 300.362 2.098 10 0 DEAERO CSc1cccc(S(=O)(=O)NCC2([NH3+])CCCCC2)c1 ZINC000262214632 145269691 /nfs/dbraw/zinc/26/96/91/145269691.db2.gz FFEBCTZVOPFPLQ-UHFFFAOYSA-N 1 0 314.476 2.348 10 0 DEAERO CC(C)C(=O)Nc1ccc(N[C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000262298431 145274221 /nfs/dbraw/zinc/27/42/21/145274221.db2.gz OFGKJVBPSJSZJU-CJNGLKHVSA-N 1 0 305.422 2.460 10 0 DEAERO O=C(NCc1nc2c(s1)CCCC2)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262314429 145275486 /nfs/dbraw/zinc/27/54/86/145275486.db2.gz DGCDUYSYRZHGFJ-YVEFUNNKSA-N 1 0 319.474 2.418 10 0 DEAERO CC(C)NC(=O)c1ccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262328863 145277341 /nfs/dbraw/zinc/27/73/41/145277341.db2.gz DVPJAALNAFATDQ-JSGCOSHPSA-N 1 0 303.406 2.151 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](COCc3ccccc3)C2)CC[NH2+]1 ZINC000262412613 145281813 /nfs/dbraw/zinc/28/18/13/145281813.db2.gz PNFIMUQTMBBJMH-JQHSSLGASA-N 1 0 316.445 2.440 10 0 DEAERO COc1ccc(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000262489854 145287536 /nfs/dbraw/zinc/28/75/36/145287536.db2.gz KWEFWRRNGJZKAD-HNNXBMFYSA-N 1 0 306.406 2.098 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1cccc(Cl)c1 ZINC000262537322 145291527 /nfs/dbraw/zinc/29/15/27/145291527.db2.gz QMLSSGFYHNOWSA-CKEIUWERSA-N 1 0 322.836 2.489 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(Br)cs1 ZINC000262711817 145301272 /nfs/dbraw/zinc/30/12/72/145301272.db2.gz CUSDSPILMRMPQK-IONNQARKSA-N 1 0 303.225 2.238 10 0 DEAERO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000262787907 145305310 /nfs/dbraw/zinc/30/53/10/145305310.db2.gz MQABGMXTYMLVOK-NWDGAFQWSA-N 1 0 318.808 2.348 10 0 DEAERO Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262808947 145306608 /nfs/dbraw/zinc/30/66/08/145306608.db2.gz OPWZDLPLDQLKMM-ONGXEEELSA-N 1 0 305.403 2.439 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2CO)CC1 ZINC000304626642 145340009 /nfs/dbraw/zinc/34/00/09/145340009.db2.gz NAUGEMGPLGGMSX-UKRRQHHQSA-N 1 0 311.470 2.100 10 0 DEAERO CC(C)[C@H](C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC000349570629 146386824 /nfs/dbraw/zinc/38/68/24/146386824.db2.gz SWOVKRZNVOQIME-UONOGXRCSA-N 1 0 320.437 2.239 10 0 DEAERO C[NH+]1CCC(C)(CNC(=O)C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000356981897 147015361 /nfs/dbraw/zinc/01/53/61/147015361.db2.gz OCRJIWGGMXQEMR-UHFFFAOYSA-N 1 0 314.429 2.206 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CC[C@H]2COc3ccccc3O2)CN1C1CC1 ZINC000358297044 147108398 /nfs/dbraw/zinc/10/83/98/147108398.db2.gz LOFFPQKEQVBOFR-FMKPAKJESA-N 1 0 302.418 2.431 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)Cn1ncc2ccccc21 ZINC000358355212 147119127 /nfs/dbraw/zinc/11/91/27/147119127.db2.gz QEPBTNTUCMUFGP-AWEZNQCLSA-N 1 0 302.422 2.273 10 0 DEAERO Cc1scc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1C ZINC000358469956 147140602 /nfs/dbraw/zinc/14/06/02/147140602.db2.gz BCIAUAWLIPYGRV-UHFFFAOYSA-N 1 0 319.430 2.341 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)C1(C)C ZINC000358672298 147178101 /nfs/dbraw/zinc/17/81/01/147178101.db2.gz VMFKXNCDTLFIGI-JKSUJKDBSA-N 1 0 323.481 2.483 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000359064889 147255787 /nfs/dbraw/zinc/25/57/87/147255787.db2.gz XRLCJPKQUCPSKU-OAHLLOKOSA-N 1 0 309.454 2.071 10 0 DEAERO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc3cc[nH]c3n2)C[C@@H]1C ZINC000360715631 147373327 /nfs/dbraw/zinc/37/33/27/147373327.db2.gz TWJGJSDPAMOBSU-QWHCGFSZSA-N 1 0 315.421 2.187 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCOc1ccc(F)cc1 ZINC000371292500 148083721 /nfs/dbraw/zinc/08/37/21/148083721.db2.gz CISHFHSAFBMPJP-NJAFHUGGSA-N 1 0 322.424 2.388 10 0 DEAERO Cc1ccnc(C2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)n1 ZINC000371833476 148145478 /nfs/dbraw/zinc/14/54/78/148145478.db2.gz AFZPPMNFBGERQW-UHFFFAOYSA-N 1 0 310.401 2.264 10 0 DEAERO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cnn3ccccc23)C1 ZINC000372412903 148205167 /nfs/dbraw/zinc/20/51/67/148205167.db2.gz BNFNBYSKONDMEF-INIZCTEOSA-N 1 0 312.417 2.311 10 0 DEAERO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374707776 148280762 /nfs/dbraw/zinc/28/07/62/148280762.db2.gz RHPWQBGQGIVZTD-CJNGLKHVSA-N 1 0 321.465 2.365 10 0 DEAERO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000566005527 292196883 /nfs/dbraw/zinc/19/68/83/292196883.db2.gz QTGCUTKCFMTKBK-MHORFTMASA-N 1 0 317.429 2.336 10 0 DEAERO CCOCCN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179468753 286078324 /nfs/dbraw/zinc/07/83/24/286078324.db2.gz UXMFISPHGFOXOS-DLBZAZTESA-N 1 0 319.449 2.500 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)c2ccc[nH]c2=S)C[C@@H]1CC ZINC000116771474 286088697 /nfs/dbraw/zinc/08/86/97/286088697.db2.gz DXCRGGCYZHCNFQ-ZDUSSCGKSA-N 1 0 323.462 2.317 10 0 DEAERO COC(=O)c1ccc(CN2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000127163603 401722897 /nfs/dbraw/zinc/72/28/97/401722897.db2.gz LPTVMQBHZGKJHD-UHFFFAOYSA-N 1 0 306.406 2.374 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000073896260 401723979 /nfs/dbraw/zinc/72/39/79/401723979.db2.gz LLERNUWBHSHDTM-XJKSGUPXSA-N 1 0 315.417 2.107 10 0 DEAERO CC1CC[NH+](CC(=O)N2CCO[C@H](c3cccs3)C2)CC1 ZINC000127215147 401724657 /nfs/dbraw/zinc/72/46/57/401724657.db2.gz MPBOZJAGQVAIJN-AWEZNQCLSA-N 1 0 308.447 2.380 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1CCC(C)CC1 ZINC000111839115 401726039 /nfs/dbraw/zinc/72/60/39/401726039.db2.gz HWRRGTVPAHCQCX-GPANFISMSA-N 1 0 311.470 2.223 10 0 DEAERO CC(C)COc1ncccc1C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000127280140 401726744 /nfs/dbraw/zinc/72/67/44/401726744.db2.gz AFHZAUDNNWOBJW-OKILXGFUSA-N 1 0 305.422 2.281 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000127326052 401729183 /nfs/dbraw/zinc/72/91/83/401729183.db2.gz HQZZFJAPBQATSS-OAHLLOKOSA-N 1 0 320.433 2.383 10 0 DEAERO CC[NH+](CC)CCn1c2cc(C)c(C)cc2nc1NCCO ZINC000006869555 401733432 /nfs/dbraw/zinc/73/34/32/401733432.db2.gz DLBSBSSVKBCHPD-UHFFFAOYSA-N 1 0 304.438 2.399 10 0 DEAERO CCOCC[NH+]1CCN(Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000127441452 401735141 /nfs/dbraw/zinc/73/51/41/401735141.db2.gz VSNHVAMZVIVHLR-UHFFFAOYSA-N 1 0 306.450 2.466 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc3nc[nH]c32)CC[N@@H+]1C ZINC000127634511 401743675 /nfs/dbraw/zinc/74/36/75/401743675.db2.gz NYMRPTFDUUZBKS-CMPLNLGQSA-N 1 0 304.369 2.257 10 0 DEAERO CCc1cnc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)s1 ZINC000074841924 401744851 /nfs/dbraw/zinc/74/48/51/401744851.db2.gz SKPVYMYTAJTELV-CQSZACIVSA-N 1 0 324.494 2.230 10 0 DEAERO COC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)C1CC1 ZINC000126341874 401689952 /nfs/dbraw/zinc/68/99/52/401689952.db2.gz AVKYGFSTMQHEKM-WBAXXEDZSA-N 1 0 303.450 2.307 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000111229101 401701964 /nfs/dbraw/zinc/70/19/64/401701964.db2.gz CBLFAXYQQBFHHC-CQSZACIVSA-N 1 0 318.808 2.240 10 0 DEAERO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3C[C@@H]3C)cc2)CC1 ZINC000072094587 401703736 /nfs/dbraw/zinc/70/37/36/401703736.db2.gz WYPZUWOKMSEQFQ-YOEHRIQHSA-N 1 0 301.434 2.355 10 0 DEAERO O=C(NCCC[NH+]1CCCCCC1)c1cnn2c1CCCC2 ZINC000126890102 401712521 /nfs/dbraw/zinc/71/25/21/401712521.db2.gz SCMKKVQAJRPDGH-UHFFFAOYSA-N 1 0 304.438 2.215 10 0 DEAERO COC(=O)C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000127002820 401716485 /nfs/dbraw/zinc/71/64/85/401716485.db2.gz NZZQVSMVWGUELH-MRXNPFEDSA-N 1 0 318.417 2.139 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000129154499 401799497 /nfs/dbraw/zinc/79/94/97/401799497.db2.gz OYCDWPUIIJKQBS-IRXDYDNUSA-N 1 0 324.513 2.138 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000076962942 401801510 /nfs/dbraw/zinc/80/15/10/401801510.db2.gz AVPSVSYPAFWEOL-HOCLYGCPSA-N 1 0 308.397 2.222 10 0 DEAERO O=C(CCC(=O)c1ccc(F)c(F)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129338280 401802859 /nfs/dbraw/zinc/80/28/59/401802859.db2.gz YDIGIZXTWDIMJO-FUNVUKJBSA-N 1 0 322.355 2.327 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccc(F)c(F)c1 ZINC000008247152 401750664 /nfs/dbraw/zinc/75/06/64/401750664.db2.gz VGLBAGGSZZURNL-SECBINFHSA-N 1 0 313.348 2.240 10 0 DEAERO C[NH+]1CCC2(C[N@H+](Cc3cccc(F)c3)C[C@H]2C(=O)[O-])CC1 ZINC000008698699 401755181 /nfs/dbraw/zinc/75/51/81/401755181.db2.gz DONOYJCICJJXKT-HNNXBMFYSA-N 1 0 306.381 2.054 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccc(F)c2)CC1 ZINC000112712095 401755873 /nfs/dbraw/zinc/75/58/73/401755873.db2.gz RQVZFYFQVYDING-ZDUSSCGKSA-N 1 0 323.412 2.382 10 0 DEAERO Cc1nc(NC(=O)[C@H](C)N2CCC([NH+](C)C)CC2)sc1C ZINC000127946667 401756721 /nfs/dbraw/zinc/75/67/21/401756721.db2.gz UVSXNYZASUFBAM-NSHDSACASA-N 1 0 310.467 2.113 10 0 DEAERO C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000128115928 401763601 /nfs/dbraw/zinc/76/36/01/401763601.db2.gz GQOBSLZLOVUUFF-IRXDYDNUSA-N 1 0 302.418 2.389 10 0 DEAERO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCN1CCOCC1 ZINC000075710820 401766805 /nfs/dbraw/zinc/76/68/05/401766805.db2.gz FPBXDEFFXQUPSJ-WMZOPIPTSA-N 1 0 304.434 2.171 10 0 DEAERO CCc1ccc(OCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113229452 401771262 /nfs/dbraw/zinc/77/12/62/401771262.db2.gz BVQXPIPHRBKFPW-GOEBONIOSA-N 1 0 302.418 2.323 10 0 DEAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCCCCO)C1 ZINC000075862107 401771679 /nfs/dbraw/zinc/77/16/79/401771679.db2.gz UJENWKIMGUCQPR-ZDUSSCGKSA-N 1 0 324.387 2.272 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(s1)CCOC2 ZINC000113231178 401771719 /nfs/dbraw/zinc/77/17/19/401771719.db2.gz FOFZDCFQSQQFFS-WCQYABFASA-N 1 0 306.431 2.130 10 0 DEAERO CCN(C(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000113268780 401773584 /nfs/dbraw/zinc/77/35/84/401773584.db2.gz OUDNVRFYSNGLPP-DOTOQJQBSA-N 1 0 301.434 2.208 10 0 DEAERO Cc1ccccc1CN(C)C(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113267281 401773850 /nfs/dbraw/zinc/77/38/50/401773850.db2.gz GXEBRRHSHNUWRV-FUHWJXTLSA-N 1 0 315.461 2.122 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc(OC)c1 ZINC000128435606 401776757 /nfs/dbraw/zinc/77/67/57/401776757.db2.gz PMFGUNYEGNBYHQ-CQSZACIVSA-N 1 0 301.390 2.427 10 0 DEAERO Cc1cc(C)n2c(C[N@H+]3CC[C@H](c4cnn(C)c4)C3)cnc2n1 ZINC000128451054 401777121 /nfs/dbraw/zinc/77/71/21/401777121.db2.gz HKLZIFHRBRROIP-AWEZNQCLSA-N 1 0 310.405 2.069 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCC(=O)Nc1ccccc1 ZINC000113591024 401783388 /nfs/dbraw/zinc/78/33/88/401783388.db2.gz UKHDZFVWBGKIOZ-AWEZNQCLSA-N 1 0 320.437 2.045 10 0 DEAERO CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000113931394 401787345 /nfs/dbraw/zinc/78/73/45/401787345.db2.gz ZYKOFGZCHXTGGY-INIZCTEOSA-N 1 0 324.428 2.375 10 0 DEAERO C[NH+](C)CCCNC(=O)COc1ccc(Cl)c2cccnc12 ZINC000077530358 401819050 /nfs/dbraw/zinc/81/90/50/401819050.db2.gz 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401851339 /nfs/dbraw/zinc/85/13/39/401851339.db2.gz FXBWVSWUWDWQMX-SFHVURJKSA-N 1 0 311.514 2.151 10 0 DEAERO CCOC(=O)CCCC[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000132711523 401872444 /nfs/dbraw/zinc/87/24/44/401872444.db2.gz PBLYHWZUJGOWAZ-CQSZACIVSA-N 1 0 309.410 2.366 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)Cc2ccsc2)C[C@H]1CC ZINC000116768132 401857999 /nfs/dbraw/zinc/85/79/99/401857999.db2.gz CKHMSUKCLHHDGT-OAHLLOKOSA-N 1 0 310.463 2.250 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)Cc2cccc(C)c2)C[C@@H]1CC ZINC000116769847 401858798 /nfs/dbraw/zinc/85/87/98/401858798.db2.gz WSMOGZBDTVGBOE-SFHVURJKSA-N 1 0 318.461 2.497 10 0 DEAERO C[C@H]1CCc2c(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)csc2C1 ZINC000116791787 401859256 /nfs/dbraw/zinc/85/92/56/401859256.db2.gz APGMEYVXJXDXMM-STQMWFEESA-N 1 0 322.474 2.276 10 0 DEAERO CCc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000117025574 401866989 /nfs/dbraw/zinc/86/69/89/401866989.db2.gz GXFWSJBEJASHOC-PBHICJAKSA-N 1 0 319.449 2.282 10 0 DEAERO CCc1ccc([C@H](C)NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000117025571 401867250 /nfs/dbraw/zinc/86/72/50/401867250.db2.gz GXFWSJBEJASHOC-WMLDXEAASA-N 1 0 319.449 2.282 10 0 DEAERO CCC1CCC(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000117039611 401867759 /nfs/dbraw/zinc/86/77/59/401867759.db2.gz GCDRGMVVCAJASC-UYSNPLJNSA-N 1 0 311.470 2.175 10 0 DEAERO CC(C)[N@H+](CC(=O)N1CCc2ccccc2C1)C1CCOCC1 ZINC000077357008 401812132 /nfs/dbraw/zinc/81/21/32/401812132.db2.gz UFFBAJJUSGBZDM-UHFFFAOYSA-N 1 0 316.445 2.461 10 0 DEAERO CCC[C@@H](O)CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000114916864 401814687 /nfs/dbraw/zinc/81/46/87/401814687.db2.gz KWKMZHQGLAPBCK-QGZVFWFLSA-N 1 0 319.449 2.243 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000114926914 401815006 /nfs/dbraw/zinc/81/50/06/401815006.db2.gz RMNXFMYHDRSHPR-ZIAGYGMSSA-N 1 0 307.442 2.029 10 0 DEAERO CCCC(=O)NCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000077441710 401815947 /nfs/dbraw/zinc/81/59/47/401815947.db2.gz RCQPAHVHIYRPGM-UHFFFAOYSA-N 1 0 303.406 2.137 10 0 DEAERO Cc1cc(I)ccc1N[C@@H]1CC[NH2+]C1 ZINC000086727283 401924841 /nfs/dbraw/zinc/92/48/41/401924841.db2.gz XGJCQPAUJFTZFE-SNVBAGLBSA-N 1 0 302.159 2.373 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000032068780 401876013 /nfs/dbraw/zinc/87/60/13/401876013.db2.gz BIPWKHMQAISFCE-SECBINFHSA-N 1 0 310.872 2.410 10 0 DEAERO C[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC000117805345 401885110 /nfs/dbraw/zinc/88/51/10/401885110.db2.gz ZDNNCABRSLKPEG-HUUCEWRRSA-N 1 0 302.418 2.353 10 0 DEAERO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000133467506 401887544 /nfs/dbraw/zinc/88/75/44/401887544.db2.gz WVFZSWKRMXFATE-OAHLLOKOSA-N 1 0 318.465 2.410 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000080564225 401890418 /nfs/dbraw/zinc/89/04/18/401890418.db2.gz DUUARLIXEVFPBG-HNNXBMFYSA-N 1 0 321.469 2.213 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c(C)s1 ZINC000089108183 401936025 /nfs/dbraw/zinc/93/60/25/401936025.db2.gz XIZCWNYTFZNZEG-NEPJUHHUSA-N 1 0 302.465 2.161 10 0 DEAERO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCCOC1 ZINC000084438077 401905414 /nfs/dbraw/zinc/90/54/14/401905414.db2.gz HFPXXOLBQYGURM-ZDUSSCGKSA-N 1 0 311.451 2.000 10 0 DEAERO CS[C@H]1CCCC[N@@H+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000134550214 401905990 /nfs/dbraw/zinc/90/59/90/401905990.db2.gz KSRRWUWVBXVWRM-UONOGXRCSA-N 1 0 322.478 2.051 10 0 DEAERO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000036720539 401907095 /nfs/dbraw/zinc/90/70/95/401907095.db2.gz UENRKFXTROXAJT-GMSGAONNSA-N 1 0 308.687 2.020 10 0 DEAERO CC(C)(C(=O)NCCCC[NH+]1CCOCC1)c1cccc(F)c1 ZINC000134613575 401908597 /nfs/dbraw/zinc/90/85/97/401908597.db2.gz LMJZFLIJISGFLG-UHFFFAOYSA-N 1 0 322.424 2.332 10 0 DEAERO O=C(C[C@H]1CCC[N@@H+]1CCN1CCCC1=O)c1ccc(F)cc1 ZINC000134831010 401916312 /nfs/dbraw/zinc/91/63/12/401916312.db2.gz SEFLAKAATKZQTO-MRXNPFEDSA-N 1 0 318.392 2.485 10 0 DEAERO Cn1c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnc1C1CC1 ZINC000134881730 401918272 /nfs/dbraw/zinc/91/82/72/401918272.db2.gz JMBZWOCHIFLMMB-ZBFHGGJFSA-N 1 0 315.465 2.141 10 0 DEAERO COC[C@@H]1CCCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119007348 401918393 /nfs/dbraw/zinc/91/83/93/401918393.db2.gz NKQYIMUUQKXTHG-HWOWSKLDSA-N 1 0 311.470 2.175 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)[C@H]1CCCO1 ZINC000037889733 401918419 /nfs/dbraw/zinc/91/84/19/401918419.db2.gz UHLCKOYAADKOFQ-DUVNUKRYSA-N 1 0 313.825 2.375 10 0 DEAERO O=C(c1nc(Cl)ccc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000038107478 401922437 /nfs/dbraw/zinc/92/24/37/401922437.db2.gz NCSUTGPCMPOUNC-VIFPVBQESA-N 1 0 300.189 2.309 10 0 DEAERO COc1cccc(C[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)c1 ZINC000136067147 401959074 /nfs/dbraw/zinc/95/90/74/401959074.db2.gz RUBRCIYFCJSXCC-GOSISDBHSA-N 1 0 317.477 2.297 10 0 DEAERO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)c(C)s1 ZINC000046035166 401964850 /nfs/dbraw/zinc/96/48/50/401964850.db2.gz RXURDJVIVYDVSV-NSHDSACASA-N 1 0 316.492 2.375 10 0 DEAERO CCN(CCc1nccs1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000119867200 401969654 /nfs/dbraw/zinc/96/96/54/401969654.db2.gz NAJLGMCLJVSYIT-GFCCVEGCSA-N 1 0 310.467 2.200 10 0 DEAERO C[C@H](C[N@H+](CCC(F)(F)F)CC1CC1)CS(C)(=O)=O ZINC000119901193 401970770 /nfs/dbraw/zinc/97/07/70/401970770.db2.gz COFQFJSOCNBHKS-SNVBAGLBSA-N 1 0 301.374 2.332 10 0 DEAERO COC(C[NH+]1CCC(CN2CCc3ccccc32)CC1)OC ZINC000136764915 401973881 /nfs/dbraw/zinc/97/38/81/401973881.db2.gz XLQZHGHLQYBXPH-UHFFFAOYSA-N 1 0 304.434 2.380 10 0 DEAERO COC[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C1CC1 ZINC000120122881 401979010 /nfs/dbraw/zinc/97/90/10/401979010.db2.gz JDYBUZCFWKTBIK-MRXNPFEDSA-N 1 0 323.412 2.112 10 0 DEAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(OC)c2)C1 ZINC000090410229 401982173 /nfs/dbraw/zinc/98/21/73/401982173.db2.gz LXPNATOZXSBEBN-DGCLKSJQSA-N 1 0 309.385 2.289 10 0 DEAERO O=C(C[NH+]1CCC(Cn2cccn2)CC1)N1CCc2ccccc21 ZINC000090473195 401983301 /nfs/dbraw/zinc/98/33/01/401983301.db2.gz XEKVTNCWZJBVRN-UHFFFAOYSA-N 1 0 324.428 2.184 10 0 DEAERO NC(=O)c1ccc([C@H]2COCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000141251514 401990123 /nfs/dbraw/zinc/99/01/23/401990123.db2.gz XOKQKFUAUVSXMA-GOSISDBHSA-N 1 0 310.397 2.402 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C)CC2)cc1F ZINC000047885614 401990259 /nfs/dbraw/zinc/99/02/59/401990259.db2.gz CHHCIYLANZKZKK-LLVKDONJSA-N 1 0 309.385 2.289 10 0 DEAERO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000047971112 401991486 /nfs/dbraw/zinc/99/14/86/401991486.db2.gz KJZHYKQUAWHUQR-CALCHBBNSA-N 1 0 321.509 2.299 10 0 DEAERO CSc1ccccc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000043317526 401938561 /nfs/dbraw/zinc/93/85/61/401938561.db2.gz MDKIRHUIHDYNIU-CYBMUJFWSA-N 1 0 323.462 2.377 10 0 DEAERO CNC(=O)CN1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000119341967 401942897 /nfs/dbraw/zinc/94/28/97/401942897.db2.gz UTWHAHFGKXCWCM-BHYGNILZSA-N 1 0 309.498 2.247 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)C(C)(C)c2cccc(Cl)c2)CCO1 ZINC000135547837 401944320 /nfs/dbraw/zinc/94/43/20/401944320.db2.gz ZFSQZPSVUSULBB-HNNXBMFYSA-N 1 0 324.852 2.407 10 0 DEAERO CCC[C@@H](O)C[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000135561898 401945779 /nfs/dbraw/zinc/94/57/79/401945779.db2.gz AEJMMHOKMLVLQF-SNVBAGLBSA-N 1 0 318.211 2.414 10 0 DEAERO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)NCC(F)(F)F ZINC000121022067 402011015 /nfs/dbraw/zinc/01/10/15/402011015.db2.gz YCBGAYUDGKRENY-VIFPVBQESA-N 1 0 309.357 2.075 10 0 DEAERO COC(=O)[C@@H](C)C[N@H+](CC(=O)NC(C)(C)C)Cc1ccccc1 ZINC000121083825 402013831 /nfs/dbraw/zinc/01/38/31/402013831.db2.gz YWUSXSHCFNPRCY-AWEZNQCLSA-N 1 0 320.433 2.212 10 0 DEAERO CCN(CCc1nccs1)[C@@H](C(=O)OC)c1cccnc1 ZINC000121146952 402017792 /nfs/dbraw/zinc/01/77/92/402017792.db2.gz RBESGIQGAKSLLC-CQSZACIVSA-N 1 0 305.403 2.317 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C(N)=S)cc1 ZINC000049560026 402019253 /nfs/dbraw/zinc/01/92/53/402019253.db2.gz GCNMCHMWBXNJFK-AWEZNQCLSA-N 1 0 307.463 2.027 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121200772 402019869 /nfs/dbraw/zinc/01/98/69/402019869.db2.gz KBAMCKIEIGXMHE-QXSJWSMHSA-N 1 0 323.481 2.364 10 0 DEAERO CCOCCN1CCN(C(=O)c2ccc(F)cc2C)C[C@@H]1C ZINC000151156463 402020173 /nfs/dbraw/zinc/02/01/73/402020173.db2.gz QDKQLVAMGVMDRR-AWEZNQCLSA-N 1 0 308.397 2.317 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@H]1Cn1ccnc1)C(C)(C)C[NH+](C)C ZINC000121205810 402020697 /nfs/dbraw/zinc/02/06/97/402020697.db2.gz FFHNDXLQHZIJHX-GJZGRUSLSA-N 1 0 321.469 2.033 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163478 402025822 /nfs/dbraw/zinc/02/58/22/402025822.db2.gz KAMBKMBYHZOSKK-VXGBXAGGSA-N 1 0 316.854 2.315 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(C)s1 ZINC000050163419 402025862 /nfs/dbraw/zinc/02/58/62/402025862.db2.gz WLOUCQMZIMGNKK-JQWIXIFHSA-N 1 0 302.465 2.031 10 0 DEAERO Cc1ccc([C@H]2CN(C(=O)NC[C@H](C)[N@H+](C)C3CC3)CCO2)o1 ZINC000121313705 402027518 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CC(C)C[C@H](C[NH+](C)C)NC(=O)N(CCO)Cc1ccccc1 ZINC000121669377 402048130 /nfs/dbraw/zinc/04/81/30/402048130.db2.gz YMBOKAOFLPKRMA-QGZVFWFLSA-N 1 0 321.465 2.167 10 0 DEAERO Cc1cc(C[C@@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000150877264 402002772 /nfs/dbraw/zinc/00/27/72/402002772.db2.gz LMZHNTAJVGMYAQ-YPMHNXCESA-N 1 0 308.426 2.248 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cnn(C(C)(C)C)c2)C[C@@H]1C ZINC000120904779 402006410 /nfs/dbraw/zinc/00/64/10/402006410.db2.gz AUMUSXRMMBVFEP-HNNXBMFYSA-N 1 0 308.470 2.181 10 0 DEAERO Cc1ccn(-c2ccccc2CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC000151973722 402069041 /nfs/dbraw/zinc/06/90/41/402069041.db2.gz FARXGQJEYLHLEX-UHFFFAOYSA-N 1 0 300.406 2.137 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000055295318 402079649 /nfs/dbraw/zinc/07/96/49/402079649.db2.gz XFXBQBJOHZMUOF-INIZCTEOSA-N 1 0 318.442 2.138 10 0 DEAERO Cc1ccc(NC(=O)N2CCC(C(=O)N(C)C)CC2)c(C)n1 ZINC000152270585 402085803 /nfs/dbraw/zinc/08/58/03/402085803.db2.gz OKMVBMCNUZEYAD-UHFFFAOYSA-N 1 0 304.394 2.031 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152306004 402088837 /nfs/dbraw/zinc/08/88/37/402088837.db2.gz ZJNFBBLCSKLZMM-AWEZNQCLSA-N 1 0 307.394 2.059 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)CCCO2 ZINC000152355432 402091692 /nfs/dbraw/zinc/09/16/92/402091692.db2.gz FZWKORHESFIAIQ-DOMZBBRYSA-N 1 0 304.390 2.119 10 0 DEAERO O=C(c1cc(-c2cccs2)n[nH]1)N1CC[NH+]2CCC1CC2 ZINC000059280804 402104325 /nfs/dbraw/zinc/10/43/25/402104325.db2.gz BJDCQZQSDRQAER-UHFFFAOYSA-N 1 0 302.403 2.058 10 0 DEAERO O[C@H](COc1ccc(Cl)cc1)CN1CCC[N@@H+](C2CC2)CC1 ZINC000061041160 402106783 /nfs/dbraw/zinc/10/67/83/402106783.db2.gz ZMIHXEDCNSMWHN-INIZCTEOSA-N 1 0 324.852 2.250 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2c2nccs2)CC[N@@H+]1C ZINC000123046721 402107711 /nfs/dbraw/zinc/10/77/11/402107711.db2.gz ADLUKWCEWRJZFF-RDBSUJKOSA-N 1 0 322.478 2.053 10 0 DEAERO O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCCSCC1 ZINC000097427954 402124832 /nfs/dbraw/zinc/12/48/32/402124832.db2.gz WCJVHLKHPDHSCE-UHFFFAOYSA-N 1 0 319.474 2.193 10 0 DEAERO CC[C@](C)(O)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000123392598 402125591 /nfs/dbraw/zinc/12/55/91/402125591.db2.gz DZMQBSVKFCMFKV-SFHVURJKSA-N 1 0 304.434 2.350 10 0 DEAERO CCCS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000065885801 402127299 /nfs/dbraw/zinc/12/72/99/402127299.db2.gz QBDLIEPECKHMQF-INIZCTEOSA-N 1 0 310.463 2.371 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCO[C@@H](c2ccsc2)C1)C1CC1 ZINC000123803010 402146820 /nfs/dbraw/zinc/14/68/20/402146820.db2.gz CUKCNLDMWAYBPU-OAHLLOKOSA-N 1 0 323.462 2.315 10 0 DEAERO CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)cc1 ZINC000101583033 402150178 /nfs/dbraw/zinc/15/01/78/402150178.db2.gz QDJPQSCTPWAKDG-STQMWFEESA-N 1 0 321.421 2.346 10 0 DEAERO CCN(CC)[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)c1ccsc1 ZINC000154013124 402187053 /nfs/dbraw/zinc/18/70/53/402187053.db2.gz IKKZGTUIJSRVKL-HNNXBMFYSA-N 1 0 324.494 2.264 10 0 DEAERO CCC(CC)(CO)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000154015763 402187209 /nfs/dbraw/zinc/18/72/09/402187209.db2.gz KRRDWDOZBROIMI-INIZCTEOSA-N 1 0 306.450 2.074 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(F)cc2[nH]cnc21 ZINC000068224333 402188315 /nfs/dbraw/zinc/18/83/15/402188315.db2.gz WWKICZJRZQNOEJ-GFCCVEGCSA-N 1 0 306.385 2.408 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]C2CCN(c3ncccn3)CC2)C12CCC2 ZINC000124697944 402192170 /nfs/dbraw/zinc/19/21/70/402192170.db2.gz XCNDUPPUNLPMOZ-CVEARBPZSA-N 1 0 316.449 2.383 10 0 DEAERO Cc1ccn2ncc(C(=O)NCc3ccccc3C[NH+](C)C)c2n1 ZINC000068719134 402204035 /nfs/dbraw/zinc/20/40/35/402204035.db2.gz BFRAZWRMWVJMOE-UHFFFAOYSA-N 1 0 323.400 2.029 10 0 DEAERO CC[C@H]1CN(CCOCC(F)(F)F)CCN1CC(F)F ZINC000153680350 402162540 /nfs/dbraw/zinc/16/25/40/402162540.db2.gz FBJQAJKZHJAGBV-JTQLQIEISA-N 1 0 304.303 2.227 10 0 DEAERO Cc1csc(=O)n1CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000102682305 402170223 /nfs/dbraw/zinc/17/02/23/402170223.db2.gz DVIGSIQKMPTSKJ-LBPRGKRZSA-N 1 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/nfs/dbraw/zinc/22/96/80/402229680.db2.gz LMJUSLFJFBXGQM-PCKAHOCUSA-N 1 0 311.470 2.175 10 0 DEAERO CC(C)CC[C@](C)(O)CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000154759406 402229735 /nfs/dbraw/zinc/22/97/35/402229735.db2.gz NRRHKURHBRBINA-KRWDZBQOSA-N 1 0 313.486 2.347 10 0 DEAERO CN(C)c1ncc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000126097421 402264478 /nfs/dbraw/zinc/26/44/78/402264478.db2.gz UIAYFJIWYZOIJK-ZDUSSCGKSA-N 1 0 317.437 2.136 10 0 DEAERO CCOc1ccccc1OCC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155178996 402247288 /nfs/dbraw/zinc/24/72/88/402247288.db2.gz ASSUCJKFFORCKU-KBPBESRZSA-N 1 0 306.406 2.015 10 0 DEAERO COc1ccc2nc(N3CCO[C@@H](C[NH+](C)C)C3)ccc2c1 ZINC000108951925 402265015 /nfs/dbraw/zinc/26/50/15/402265015.db2.gz WYAMYKDXTUNKDA-HNNXBMFYSA-N 1 0 301.390 2.010 10 0 DEAERO CC[C@H](C)[C@H](C)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000108564391 402257181 /nfs/dbraw/zinc/25/71/81/402257181.db2.gz MNCBPYTZDRAONE-ULQDDVLXSA-N 1 0 324.513 2.233 10 0 DEAERO COc1cccc(CCCNC(=O)C2([NH3+])Cc3ccccc3C2)c1 ZINC000155456065 402257712 /nfs/dbraw/zinc/25/77/12/402257712.db2.gz PITQVDRBPJOVGW-UHFFFAOYSA-N 1 0 324.424 2.240 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1CCCC1 ZINC000070306965 402259519 /nfs/dbraw/zinc/25/95/19/402259519.db2.gz JHFOPYFNAOHWKT-BLLLJJGKSA-N 1 0 311.447 2.292 10 0 DEAERO COCc1cc(N2CCC([NH3+])CC2)nc(-c2cccc(F)c2)n1 ZINC000070451817 402260598 /nfs/dbraw/zinc/26/05/98/402260598.db2.gz IULCMYZVQZSCBH-UHFFFAOYSA-N 1 0 316.380 2.357 10 0 DEAERO COc1cccc(-c2cc3c(N4CCC[C@@H]([NH3+])C4)nccn3n2)c1 ZINC000070459273 402261492 /nfs/dbraw/zinc/26/14/92/402261492.db2.gz JEVGYWZMPWRRCF-CQSZACIVSA-N 1 0 323.400 2.332 10 0 DEAERO Cc1ccc(C)c(-c2cc3c(N4CC[NH2+]CC4)nccn3n2)c1 ZINC000070459158 402261626 /nfs/dbraw/zinc/26/16/26/402261626.db2.gz YVPTVFXPQRHEFM-UHFFFAOYSA-N 1 0 307.401 2.423 10 0 DEAERO c1cn(CC2CCN(Cc3nc(C4CCCC4)no3)CC2)nn1 ZINC000155599213 402262365 /nfs/dbraw/zinc/26/23/65/402262365.db2.gz JYCXYFJJJZVHDC-UHFFFAOYSA-N 1 0 316.409 2.231 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886861 402210821 /nfs/dbraw/zinc/21/08/21/402210821.db2.gz DDOUYRLBZUGSED-LSDHHAIUSA-N 1 0 306.454 2.288 10 0 DEAERO Cn1c(C[N@H+](C)CC2CCOCC2)nnc1-c1ccccc1 ZINC000155837645 402268478 /nfs/dbraw/zinc/26/84/78/402268478.db2.gz ZJLXNFFYGCENTN-UHFFFAOYSA-N 1 0 300.406 2.341 10 0 DEAERO Cc1cnn(CC[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000109132872 402268540 /nfs/dbraw/zinc/26/85/40/402268540.db2.gz SMNQZHLICYPWTF-HNNXBMFYSA-N 1 0 322.453 2.428 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)C1CCOCC1 ZINC000126242560 402271249 /nfs/dbraw/zinc/27/12/49/402271249.db2.gz LVNQYWSGPPYDLL-QWHCGFSZSA-N 1 0 301.394 2.128 10 0 DEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(Br)c1 ZINC000071190417 402271593 /nfs/dbraw/zinc/27/15/93/402271593.db2.gz NMZPFTFHKHJETB-NSHDSACASA-N 1 0 311.223 2.473 10 0 DEAERO COc1cccc([C@@H]2CN(C(C)C)C(=O)[C@@]23CCC[NH2+]C3)c1 ZINC000216088942 402287140 /nfs/dbraw/zinc/28/71/40/402287140.db2.gz XKUQOXAVNQREJU-FUHWJXTLSA-N 1 0 302.418 2.399 10 0 DEAERO Cc1c(-c2cc(CN3CC[N@@H+]4CCCC[C@@H]4C3)on2)cnn1C ZINC000184663520 402289482 /nfs/dbraw/zinc/28/94/82/402289482.db2.gz MBIILBGBGCPDGG-CQSZACIVSA-N 1 0 315.421 2.054 10 0 DEAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CCCC1 ZINC000184670006 402290089 /nfs/dbraw/zinc/29/00/89/402290089.db2.gz KTKXDSHAHUYREM-CYBMUJFWSA-N 1 0 317.433 2.495 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[N@@H+]4CCC[C@H]4C3)nc21 ZINC000176281905 402296769 /nfs/dbraw/zinc/29/67/69/402296769.db2.gz PCIPYQVOQKYWJY-AWEZNQCLSA-N 1 0 312.417 2.111 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1cccc(O)c1 ZINC000176308402 402298374 /nfs/dbraw/zinc/29/83/74/402298374.db2.gz HHBXJIDYEVMFHM-HNNXBMFYSA-N 1 0 305.422 2.060 10 0 DEAERO CC(C)c1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)cc1 ZINC000184810080 402301135 /nfs/dbraw/zinc/30/11/35/402301135.db2.gz OJMRKVOYOTUNGR-CVEARBPZSA-N 1 0 317.433 2.382 10 0 DEAERO Cc1cccc(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000158065405 402301325 /nfs/dbraw/zinc/30/13/25/402301325.db2.gz NQNSCIJSNJRKHG-OAHLLOKOSA-N 1 0 304.438 2.167 10 0 DEAERO CSCc1ccccc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000184824693 402301914 /nfs/dbraw/zinc/30/19/14/402301914.db2.gz JNUBNRZEHATGEM-CQSZACIVSA-N 1 0 323.462 2.344 10 0 DEAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1COc2ccccc21 ZINC000158083723 402302119 /nfs/dbraw/zinc/30/21/19/402302119.db2.gz FXTLAPSALPFARZ-CABCVRRESA-N 1 0 303.406 2.102 10 0 DEAERO Cc1nn(C)c2ncc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)cc12 ZINC000176429459 402308455 /nfs/dbraw/zinc/30/84/55/402308455.db2.gz KVPBIVRBFRXBAQ-LBPRGKRZSA-N 1 0 318.421 2.439 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(Cl)o2)CC1 ZINC000176445855 402309959 /nfs/dbraw/zinc/30/99/59/402309959.db2.gz LZZISPBVGJSYJF-NSHDSACASA-N 1 0 314.813 2.098 10 0 DEAERO Cc1nccn1CCC[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185040505 402319517 /nfs/dbraw/zinc/31/95/17/402319517.db2.gz GPPUMVKBPCVJCA-UHFFFAOYSA-N 1 0 314.393 2.102 10 0 DEAERO Cc1ccc(CNC(=O)C[N@@H+](C)[C@@H](CO)CC(C)C)cc1F ZINC000185358203 402346481 /nfs/dbraw/zinc/34/64/81/402346481.db2.gz HJWKSZOFFOLHIO-OAHLLOKOSA-N 1 0 310.413 2.089 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC000185363854 402347030 /nfs/dbraw/zinc/34/70/30/402347030.db2.gz RWSROIYMFINDSF-GFCCVEGCSA-N 1 0 300.349 2.242 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(N2CCCC2)nc1 ZINC000176982440 402356725 /nfs/dbraw/zinc/35/67/25/402356725.db2.gz XYMHEUCPWKQDIU-INIZCTEOSA-N 1 0 316.449 2.238 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CSCc1cccnc1 ZINC000177011147 402359409 /nfs/dbraw/zinc/35/94/09/402359409.db2.gz YHWZRAKTWQLDDB-HNNXBMFYSA-N 1 0 307.463 2.258 10 0 DEAERO Cc1oc2ccccc2c1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000185592167 402363529 /nfs/dbraw/zinc/36/35/29/402363529.db2.gz SYOZUJQBEBUOGX-ZDUSSCGKSA-N 1 0 302.374 2.144 10 0 DEAERO Clc1ccc(CN2CC[C@@H](N3CCOCC3)C2)c(Cl)n1 ZINC000236056482 402365273 /nfs/dbraw/zinc/36/52/73/402365273.db2.gz YPQMIIQXKWYTPH-GFCCVEGCSA-N 1 0 316.232 2.295 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2c(C)cccc2C)CC1 ZINC000177098944 402370102 /nfs/dbraw/zinc/37/01/02/402370102.db2.gz MRWJWFZANGAXQC-OAHLLOKOSA-N 1 0 305.422 2.224 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(SC)cc2)CC1 ZINC000177108755 402370588 /nfs/dbraw/zinc/37/05/88/402370588.db2.gz OCOWCRHHKLNTMZ-CQSZACIVSA-N 1 0 323.462 2.329 10 0 DEAERO CCC[C@@H](C(=O)N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC000185760608 402374861 /nfs/dbraw/zinc/37/48/61/402374861.db2.gz MCQOUTDYFFJQAW-KBPBESRZSA-N 1 0 324.494 2.079 10 0 DEAERO CC(C)(CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000236691453 402375074 /nfs/dbraw/zinc/37/50/74/402375074.db2.gz SGGHYMILZWGYIS-GXTWGEPZSA-N 1 0 318.417 2.327 10 0 DEAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(I)cc1 ZINC000228729394 402339606 /nfs/dbraw/zinc/33/96/06/402339606.db2.gz FWLSNYIJRBFHKV-VHSXEESVSA-N 1 0 319.186 2.398 10 0 DEAERO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC000177989087 402449426 /nfs/dbraw/zinc/44/94/26/402449426.db2.gz JHJOBOWAYHDRJL-MAUKXSAKSA-N 1 0 304.434 2.269 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCOC1CCCC1 ZINC000177450645 402404013 /nfs/dbraw/zinc/40/40/13/402404013.db2.gz NFHDERUGNCNRKV-HNNXBMFYSA-N 1 0 311.470 2.461 10 0 DEAERO C[NH2+]CCN(C)C(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000237365965 402405854 /nfs/dbraw/zinc/40/58/54/402405854.db2.gz UASVVHFIVBEZBZ-UHFFFAOYSA-N 1 0 306.797 2.126 10 0 DEAERO CN1CCC(CNC(=O)[C@@H]2C[C@@H]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000177471893 402406628 /nfs/dbraw/zinc/40/66/28/402406628.db2.gz UPXSHSJTRWEVGO-IAGOWNOFSA-N 1 0 319.493 2.099 10 0 DEAERO Cn1ccnc1CC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000177502875 402409976 /nfs/dbraw/zinc/40/99/76/402409976.db2.gz HTTOPUPSOXSGHF-UHFFFAOYSA-N 1 0 322.453 2.199 10 0 DEAERO CCn1cnnc1C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000177503781 402410179 /nfs/dbraw/zinc/41/01/79/402410179.db2.gz FIAGACFSBXTVNG-UHFFFAOYSA-N 1 0 323.441 2.002 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)C12CCOCC2 ZINC000186203369 402410228 /nfs/dbraw/zinc/41/02/28/402410228.db2.gz IGGCWHDBOUPZSP-GVDBMIGSSA-N 1 0 305.418 2.284 10 0 DEAERO Cc1ccc(C[C@@H](C)N(C)C(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000237507747 402410839 /nfs/dbraw/zinc/41/08/39/402410839.db2.gz JUCOHSBKDAHICH-GDBMZVCRSA-N 1 0 306.475 2.480 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(O)c(OC)c2)C12CCOCC2 ZINC000186290345 402418282 /nfs/dbraw/zinc/41/82/82/402418282.db2.gz PMYIHAVODXCTOR-IRXDYDNUSA-N 1 0 321.417 2.465 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]CCN(C)C2CCCC2)C12CCOCC2 ZINC000186323689 402421207 /nfs/dbraw/zinc/42/12/07/402421207.db2.gz HOARIGLLWSOKFP-SJORKVTESA-N 1 0 310.482 2.425 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccc(Cl)nc1 ZINC000177669114 402424976 /nfs/dbraw/zinc/42/49/76/402424976.db2.gz YQVLWEMKMFENIN-ZDUSSCGKSA-N 1 0 324.856 2.451 10 0 DEAERO COCCOc1ccccc1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000162618830 402426116 /nfs/dbraw/zinc/42/61/16/402426116.db2.gz ARYFCUYACUXMNY-UHFFFAOYSA-N 1 0 320.433 2.012 10 0 DEAERO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC(c2cc[nH]n2)CC1 ZINC000237977206 402429560 /nfs/dbraw/zinc/42/95/60/402429560.db2.gz JSLKNRLBVMJXQA-YCPHGPKFSA-N 1 0 302.422 2.036 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(CCSCc2ccccc2)CC1 ZINC000186421614 402430061 /nfs/dbraw/zinc/43/00/61/402430061.db2.gz RRMUUGQTTBOXAG-KRWDZBQOSA-N 1 0 308.491 2.308 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)CCC3CC3)C2=O)n(C)n1 ZINC000186462129 402432684 /nfs/dbraw/zinc/43/26/84/402432684.db2.gz WIIBPFILMZKQHD-WFASDCNBSA-N 1 0 304.438 2.392 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c1C ZINC000186507454 402437183 /nfs/dbraw/zinc/43/71/83/402437183.db2.gz QWPCKDWLUDJYJN-CYBMUJFWSA-N 1 0 303.406 2.191 10 0 DEAERO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000177804061 402437795 /nfs/dbraw/zinc/43/77/95/402437795.db2.gz BBWBQEZJRQNPDV-QGZVFWFLSA-N 1 0 312.417 2.250 10 0 DEAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177844886 402440677 /nfs/dbraw/zinc/44/06/77/402440677.db2.gz CJMNYDADEDEDCV-YPMHNXCESA-N 1 0 315.410 2.449 10 0 DEAERO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCCOC2)c1 ZINC000177926638 402444531 /nfs/dbraw/zinc/44/45/31/402444531.db2.gz ZNKWCMADHBAHDB-STQMWFEESA-N 1 0 322.405 2.190 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)CCNC(=O)c1ccco1 ZINC000237035689 402392191 /nfs/dbraw/zinc/39/21/91/402392191.db2.gz IYMCSGKDMRPZPK-UHFFFAOYSA-N 1 0 315.373 2.148 10 0 DEAERO C[NH2+]C1CCN(C(=O)CCC(=O)c2cc(C)ccc2C)CC1 ZINC000237061159 402393806 /nfs/dbraw/zinc/39/38/06/402393806.db2.gz FJZKFUNFQVYWSD-UHFFFAOYSA-N 1 0 302.418 2.477 10 0 DEAERO CN(C[C@H]1CCCO1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000161635192 402394169 /nfs/dbraw/zinc/39/41/69/402394169.db2.gz FGIYEPUVDHPNHB-MRXNPFEDSA-N 1 0 311.470 2.463 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)[C@H]1COc2ccccc21 ZINC000163569590 402452889 /nfs/dbraw/zinc/45/28/89/402452889.db2.gz VZOHDIOPKZXRMI-OFQRWUPVSA-N 1 0 317.433 2.287 10 0 DEAERO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000245383427 402453690 /nfs/dbraw/zinc/45/36/90/402453690.db2.gz PFZPKGJHGBOBHR-ZACQAIPSSA-N 1 0 307.482 2.051 10 0 DEAERO CC(C)[C@@](C)(O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000186679390 402454363 /nfs/dbraw/zinc/45/43/63/402454363.db2.gz OBFUUIRUPWBPMB-QAPCUYQASA-N 1 0 310.482 2.364 10 0 DEAERO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC000245402509 402456536 /nfs/dbraw/zinc/45/65/36/402456536.db2.gz IHKDOMDCSSWEDV-KBUPBQIOSA-N 1 0 310.438 2.049 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(C(=O)N(C)C)c1 ZINC000245413489 402457956 /nfs/dbraw/zinc/45/79/56/402457956.db2.gz BMRHOEUSNZSONH-ROUUACIJSA-N 1 0 315.461 2.447 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCn2ccnc21 ZINC000245426746 402459604 /nfs/dbraw/zinc/45/96/04/402459604.db2.gz VJZIBIRUODXUME-CABCVRRESA-N 1 0 304.438 2.141 10 0 DEAERO Cc1ccc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)c(C)n1 ZINC000186727222 402460388 /nfs/dbraw/zinc/46/03/88/402460388.db2.gz MEOYNEWXKJOCJD-HNNXBMFYSA-N 1 0 303.450 2.384 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccccc2F)[C@@H](C)C1 ZINC000245431070 402460452 /nfs/dbraw/zinc/46/04/52/402460452.db2.gz NWTUEODVQXLOIN-WMLDXEAASA-N 1 0 321.440 2.104 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000245458712 402462794 /nfs/dbraw/zinc/46/27/94/402462794.db2.gz CZXFOYCTTSIBAQ-YLFCFFPRSA-N 1 0 309.498 2.486 10 0 DEAERO CCOCC[N@@H+]1CCN(c2cncc(OCC(C)C)n2)C[C@H]1C ZINC000246129187 402512322 /nfs/dbraw/zinc/51/23/22/402512322.db2.gz XJVMOEXSKNTIKK-OAHLLOKOSA-N 1 0 322.453 2.058 10 0 DEAERO C[N@H+](C[C@@H](O)COc1ccc2ccccc2c1)CC1(CO)CC1 ZINC000186805165 402465784 /nfs/dbraw/zinc/46/57/84/402465784.db2.gz AIZDULVIINKDOJ-QGZVFWFLSA-N 1 0 315.413 2.284 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@H](C)C(=O)Nc1nccs1)CC2 ZINC000245499259 402465884 /nfs/dbraw/zinc/46/58/84/402465884.db2.gz XUNGLRPRSMEKKY-MCIONIFRSA-N 1 0 322.478 2.417 10 0 DEAERO COc1cccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000178172621 402467681 /nfs/dbraw/zinc/46/76/81/402467681.db2.gz OBYRQMSPZGGTGS-CQSZACIVSA-N 1 0 317.433 2.361 10 0 DEAERO COc1ccc2nc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)sc2c1 ZINC000186949655 402473181 /nfs/dbraw/zinc/47/31/81/402473181.db2.gz JLJHAWLYWDPYEO-QWRGUYRKSA-N 1 0 319.430 2.391 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NCCCCCCO)[C@H]1c1ccccc1 ZINC000245640050 402475913 /nfs/dbraw/zinc/47/59/13/402475913.db2.gz DCQSMHCGTTXXJV-DLBZAZTESA-N 1 0 319.449 2.284 10 0 DEAERO CC[C@@H]1CN(C/C=C/c2ccccc2OC)CC[N@@H+]1C[C@H](C)O ZINC000245688502 402479461 /nfs/dbraw/zinc/47/94/61/402479461.db2.gz BBAASKIBXDFEQK-QJWRSFSASA-N 1 0 318.461 2.485 10 0 DEAERO CC(C)c1ccc(NC(=O)C[N@H+](C)CC2(O)CCOCC2)cc1 ZINC000187070012 402480903 /nfs/dbraw/zinc/48/09/03/402480903.db2.gz PBODIZCBUHVLOX-UHFFFAOYSA-N 1 0 320.433 2.222 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N(CC(C)C)C1CC1 ZINC000178294967 402480995 /nfs/dbraw/zinc/48/09/95/402480995.db2.gz CEKKVCHIVDERSU-KRWDZBQOSA-N 1 0 318.465 2.303 10 0 DEAERO C[C@H]1C[C@H](CC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C[C@@H](C)C1 ZINC000246151799 402513180 /nfs/dbraw/zinc/51/31/80/402513180.db2.gz CFDFVZWUYLKQIA-YJNKXOJESA-N 1 0 302.484 2.072 10 0 DEAERO CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178312931 402484268 /nfs/dbraw/zinc/48/42/68/402484268.db2.gz ULKLXVSRNHIQRP-INIZCTEOSA-N 1 0 306.454 2.352 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N2CCc3sccc3C2)C1 ZINC000187944445 402513623 /nfs/dbraw/zinc/51/36/23/402513623.db2.gz XEIWJGKEVGCXLD-DYVFJYSZSA-N 1 0 322.474 2.116 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1ccncc1 ZINC000245873227 402493431 /nfs/dbraw/zinc/49/34/31/402493431.db2.gz HCROUIZMTFEJJY-BMFZPTHFSA-N 1 0 302.422 2.411 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)CC(=O)OC)[C@@H](C)C1 ZINC000245871924 402493436 /nfs/dbraw/zinc/49/34/36/402493436.db2.gz JOTAVQBRTSGBNJ-UONOGXRCSA-N 1 0 312.454 2.155 10 0 DEAERO CC(C)(C)OC[C@H](O)C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000245873440 402493490 /nfs/dbraw/zinc/49/34/90/402493490.db2.gz HKJSXDZZHVZCEK-ZWKOTPCHSA-N 1 0 321.461 2.496 10 0 DEAERO COC(=O)c1ccccc1OCC[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187952961 402513670 /nfs/dbraw/zinc/51/36/70/402513670.db2.gz CFUGXAMBRAKDQL-KSSFIOAISA-N 1 0 321.417 2.335 10 0 DEAERO COc1ccc(C(F)(F)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000245889577 402494544 /nfs/dbraw/zinc/49/45/44/402494544.db2.gz JFGKCKRYCXREDO-KGLIPLIRSA-N 1 0 324.371 2.482 10 0 DEAERO C[NH+](C)CCC1CCN(C(=O)NCCCc2ccccn2)CC1 ZINC000178419634 402496532 /nfs/dbraw/zinc/49/65/32/402496532.db2.gz TYLPFWCDBWSKOY-UHFFFAOYSA-N 1 0 318.465 2.388 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H](O)C1CCCCC1 ZINC000187385262 402497544 /nfs/dbraw/zinc/49/75/44/402497544.db2.gz IWAPLJOYNIGNDG-ZWKOTPCHSA-N 1 0 318.461 2.217 10 0 DEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H](C)CS(=O)(=O)c2ccccc2)C1 ZINC000245921903 402497905 /nfs/dbraw/zinc/49/79/05/402497905.db2.gz YAMUUOOIEFKCSK-INMHGKMJSA-N 1 0 324.490 2.167 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC000245926026 402498272 /nfs/dbraw/zinc/49/82/72/402498272.db2.gz XNPYPCQIDWGMLU-SWLSCSKDSA-N 1 0 306.454 2.463 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NOCc2ccccc2)C1 ZINC000245933322 402498940 /nfs/dbraw/zinc/49/89/40/402498940.db2.gz IOCJQRBUSGCCBU-JKSUJKDBSA-N 1 0 303.406 2.244 10 0 DEAERO CO[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[C@@H]1C ZINC000187416583 402499446 /nfs/dbraw/zinc/49/94/46/402499446.db2.gz OKIKARMJXVXRFC-ZFWWWQNUSA-N 1 0 311.470 2.316 10 0 DEAERO CC(C)Oc1cccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000169013091 402499579 /nfs/dbraw/zinc/49/95/79/402499579.db2.gz IPTDMQQHEMUITD-CQSZACIVSA-N 1 0 305.422 2.473 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000187501497 402503379 /nfs/dbraw/zinc/50/33/79/402503379.db2.gz FZHQXEPTKDSTFH-MELADBBJSA-N 1 0 320.437 2.275 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CS[C@H](C)C(C)C)C1 ZINC000246163438 402514189 /nfs/dbraw/zinc/51/41/89/402514189.db2.gz IGJUXBTUKHAWKD-HUUCEWRRSA-N 1 0 316.511 2.237 10 0 DEAERO COCCC1(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCC1 ZINC000246022040 402504445 /nfs/dbraw/zinc/50/44/45/402504445.db2.gz NQFXTUHEBRICHY-LSDHHAIUSA-N 1 0 311.470 2.221 10 0 DEAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CCCO1 ZINC000246042644 402505130 /nfs/dbraw/zinc/50/51/30/402505130.db2.gz YPMKLMZYKJENSZ-XUWVNRHRSA-N 1 0 311.470 2.173 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nc(COC)cs1 ZINC000246059423 402506586 /nfs/dbraw/zinc/50/65/86/402506586.db2.gz QYPKBQFKPQVTCU-OLZOCXBDSA-N 1 0 324.450 2.380 10 0 DEAERO CCOc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000246086549 402508278 /nfs/dbraw/zinc/50/82/78/402508278.db2.gz IHCLBCXFWTWODS-OCCSQVGLSA-N 1 0 304.394 2.181 10 0 DEAERO CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000178530752 402508476 /nfs/dbraw/zinc/50/84/76/402508476.db2.gz OVNQUPZTUHRDNW-OAHLLOKOSA-N 1 0 318.417 2.210 10 0 DEAERO CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000246097119 402508965 /nfs/dbraw/zinc/50/89/65/402508965.db2.gz HWTLZPIRDKAXNH-QAPCUYQASA-N 1 0 304.434 2.238 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000178809864 402542802 /nfs/dbraw/zinc/54/28/02/402542802.db2.gz GGCHCVHYLMIHOD-CQSZACIVSA-N 1 0 306.454 2.181 10 0 DEAERO COc1cccc([C@H]2C[C@H]2C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000170944450 402544070 /nfs/dbraw/zinc/54/40/70/402544070.db2.gz XCJOOTCVQQDNKT-QZTJIDSGSA-N 1 0 314.429 2.495 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000246775443 402544249 /nfs/dbraw/zinc/54/42/49/402544249.db2.gz BAYGBIYKYAKZFO-IJEWVQPXSA-N 1 0 315.417 2.388 10 0 DEAERO CCOc1ccccc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246778946 402544650 /nfs/dbraw/zinc/54/46/50/402544650.db2.gz BDPJCISQAXOFLD-GDBMZVCRSA-N 1 0 317.433 2.463 10 0 DEAERO CCc1ccc(CC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)cc1 ZINC000246786497 402544933 /nfs/dbraw/zinc/54/49/33/402544933.db2.gz JCTFZJAFXGXGFH-YJBOKZPZSA-N 1 0 318.461 2.095 10 0 DEAERO CCc1ccc(CC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)cc1 ZINC000246786475 402545262 /nfs/dbraw/zinc/54/52/62/402545262.db2.gz JCTFZJAFXGXGFH-MAUKXSAKSA-N 1 0 318.461 2.095 10 0 DEAERO COc1cccc([C@@H]2CN(C[C@H](O)CC(F)(F)F)CCO2)c1 ZINC000189570252 402546084 /nfs/dbraw/zinc/54/60/84/402546084.db2.gz MKLUKLWCDDGLNW-OCCSQVGLSA-N 1 0 319.323 2.382 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)COCc1ccccc1F ZINC000246950964 402550589 /nfs/dbraw/zinc/55/05/89/402550589.db2.gz BINRFLNWUOSCIU-DLBZAZTESA-N 1 0 324.440 2.119 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@](C)(O)[C@H](C)c2ccccc2)C1 ZINC000246966273 402551836 /nfs/dbraw/zinc/55/18/36/402551836.db2.gz FYFNSAXNCOBRNI-IIHSZXCVSA-N 1 0 318.461 2.386 10 0 DEAERO 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ZINC000171609407 402600660 /nfs/dbraw/zinc/60/06/60/402600660.db2.gz OECKWKNTEGTOHA-QZTJIDSGSA-N 1 0 324.424 2.279 10 0 DEAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCCOC1 ZINC000171610681 402601386 /nfs/dbraw/zinc/60/13/86/402601386.db2.gz VFUPQBUXXATPSZ-QGZVFWFLSA-N 1 0 319.449 2.459 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCOC1CCCC1 ZINC000171611723 402601398 /nfs/dbraw/zinc/60/13/98/402601398.db2.gz FAIQZDQOOCLGGG-KRWDZBQOSA-N 1 0 304.434 2.235 10 0 DEAERO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171635611 402604467 /nfs/dbraw/zinc/60/44/67/402604467.db2.gz OPCOXLCXPSNUHU-HNNXBMFYSA-N 1 0 314.389 2.197 10 0 DEAERO CCOc1ccccc1NC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171640941 402605227 /nfs/dbraw/zinc/60/52/27/402605227.db2.gz IXYVPZORBUVXKI-HUUCEWRRSA-N 1 0 317.433 2.192 10 0 DEAERO CC[S@@](=O)c1ccccc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000248747767 402607320 /nfs/dbraw/zinc/60/73/20/402607320.db2.gz FKHQHIIKHTTWGI-JLCFBVMHSA-N 1 0 322.474 2.418 10 0 DEAERO Cc1ccc(Br)nc1C(=O)N1CCN(C2CC2)CC1 ZINC000190535205 402607945 /nfs/dbraw/zinc/60/79/45/402607945.db2.gz GGLNGQOMJZVESJ-UHFFFAOYSA-N 1 0 324.222 2.073 10 0 DEAERO COc1cc(C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)ccc1O ZINC000180125722 402608178 /nfs/dbraw/zinc/60/81/78/402608178.db2.gz OVPKPKXAJTXZDG-OAHLLOKOSA-N 1 0 312.369 2.296 10 0 DEAERO O=C(NCC1CCOCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171684478 402609377 /nfs/dbraw/zinc/60/93/77/402609377.db2.gz UNJFXKLLDVUGIT-INIZCTEOSA-N 1 0 309.454 2.073 10 0 DEAERO COc1ccc(COC[C@@H](O)C[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000171687564 402609938 /nfs/dbraw/zinc/60/99/38/402609938.db2.gz UWYOYXAAIUNXAL-ZFWWWQNUSA-N 1 0 311.447 2.010 10 0 DEAERO C[C@H](CNC(=O)c1cn2ccnc2s1)[N@@H+]1CCC[C@H](C)C1 ZINC000248963856 402615903 /nfs/dbraw/zinc/61/59/03/402615903.db2.gz RKASKDVCXIHCQQ-NWDGAFQWSA-N 1 0 306.435 2.246 10 0 DEAERO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C)OCCCO2)cc1 ZINC000190645190 402616040 /nfs/dbraw/zinc/61/60/40/402616040.db2.gz AAQPXYFMSGOGGI-CYBMUJFWSA-N 1 0 322.405 2.155 10 0 DEAERO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)NC(C)C)C1 ZINC000190676149 402617724 /nfs/dbraw/zinc/61/77/24/402617724.db2.gz ZDBWHTYGZQZWSL-CYBMUJFWSA-N 1 0 310.467 2.323 10 0 DEAERO CC(C)[NH+](CCNC(=O)N[C@H]1Cc2ccccc2[C@H]1O)C(C)C ZINC000171745927 402617927 /nfs/dbraw/zinc/61/79/27/402617927.db2.gz SSIHHHNVOFKMBN-DLBZAZTESA-N 1 0 319.449 2.063 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@H](C)CC2)C[C@@H]1C ZINC000249078277 402619719 /nfs/dbraw/zinc/61/97/19/402619719.db2.gz LBQVMIYWNHANOE-YHUYYLMFSA-N 1 0 311.470 2.052 10 0 DEAERO Cc1ccc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249172945 402622408 /nfs/dbraw/zinc/62/24/08/402622408.db2.gz LQBXBTSGKVXHRK-GJZGRUSLSA-N 1 0 317.433 2.183 10 0 DEAERO CCc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249150379 402622457 /nfs/dbraw/zinc/62/24/57/402622457.db2.gz HBLLJAVERXQYLL-ZFWWWQNUSA-N 1 0 317.433 2.129 10 0 DEAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2cc(C(N)=O)co2)C1 ZINC000249434133 402629676 /nfs/dbraw/zinc/62/96/76/402629676.db2.gz IACABQHFYRYDID-CZUORRHYSA-N 1 0 313.401 2.304 10 0 DEAERO CCCn1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000180955206 402631011 /nfs/dbraw/zinc/63/10/11/402631011.db2.gz MBDGMLUYMBGAOA-INIZCTEOSA-N 1 0 304.438 2.384 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@@H](O)COCc2cccs2)C1 ZINC000249587310 402635608 /nfs/dbraw/zinc/63/56/08/402635608.db2.gz UHLHJLGJWUGDHE-IIAWOOMASA-N 1 0 313.463 2.109 10 0 DEAERO Cc1c(-c2cc(C[N@@H+](C)[C@@]3(CO)CC[C@@H](C)C3)on2)cnn1C ZINC000249529883 402633458 /nfs/dbraw/zinc/63/34/58/402633458.db2.gz ASBYZQPYSPAALC-PXAZEXFGSA-N 1 0 318.421 2.366 10 0 DEAERO CO[C@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC[C@H]1C ZINC000191039931 402637907 /nfs/dbraw/zinc/63/79/07/402637907.db2.gz NMLISGCOIIDAFB-CABCVRRESA-N 1 0 311.470 2.175 10 0 DEAERO CC(=O)c1ccccc1OCC[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000172054879 402638684 /nfs/dbraw/zinc/63/86/84/402638684.db2.gz PPMOSBQDVNGXGM-OAHLLOKOSA-N 1 0 313.401 2.491 10 0 DEAERO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000249723052 402638814 /nfs/dbraw/zinc/63/88/14/402638814.db2.gz CQAINOUJVZXEQV-NVXWUHKLSA-N 1 0 306.406 2.105 10 0 DEAERO Cn1c(CN2CC[C@H](C[NH+]3CCCCC3)C2)nnc1C1CCC1 ZINC000181385231 402643464 /nfs/dbraw/zinc/64/34/64/402643464.db2.gz OJUXHQRBSRGUJT-OAHLLOKOSA-N 1 0 317.481 2.390 10 0 DEAERO COC[C@@H](C)CN(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000249959008 402643899 /nfs/dbraw/zinc/64/38/99/402643899.db2.gz WCWHAMLSEFPMLS-GWCFXTLKSA-N 1 0 317.838 2.383 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nnc(C2CC2)n1C1CC1 ZINC000181408102 402644104 /nfs/dbraw/zinc/64/41/04/402644104.db2.gz ACYRYCJKDNKGBL-OAHLLOKOSA-N 1 0 303.454 2.407 10 0 DEAERO COC(=O)CC(C)(C)CC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000181408112 402644312 /nfs/dbraw/zinc/64/43/12/402644312.db2.gz RCNMBTIORMRPOB-HNNXBMFYSA-N 1 0 324.465 2.443 10 0 DEAERO O=C(NCCOC1CCCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172478976 402658406 /nfs/dbraw/zinc/65/84/06/402658406.db2.gz CYVOOYGGJHLTDU-HNNXBMFYSA-N 1 0 309.454 2.215 10 0 DEAERO CC(C)[C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000172502959 402659574 /nfs/dbraw/zinc/65/95/74/402659574.db2.gz KUWPWVPRBQTLDO-OAHLLOKOSA-N 1 0 306.454 2.447 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000250949575 402646939 /nfs/dbraw/zinc/64/69/39/402646939.db2.gz OAQWJVWYPBIUCP-GUTXKFCHSA-N 1 0 309.431 2.456 10 0 DEAERO O=C1[C@H](N2CC[N@@H+]3CCC[C@@H]3C2)CCCN1c1cccc(F)c1 ZINC000172290278 402648255 /nfs/dbraw/zinc/64/82/55/402648255.db2.gz OEGINSPNMGSFHZ-IAGOWNOFSA-N 1 0 317.408 2.101 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347462 402651213 /nfs/dbraw/zinc/65/12/13/402651213.db2.gz JNFIYAHWFQAYRF-LBPRGKRZSA-N 1 0 322.840 2.232 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000191312851 402660016 /nfs/dbraw/zinc/66/00/16/402660016.db2.gz KQFUIBBSIQDEEL-RDJZCZTQSA-N 1 0 304.434 2.440 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNc2ccc3nnnn3n2)[C@H]1c1ccccc1 ZINC000252477144 402653987 /nfs/dbraw/zinc/65/39/87/402653987.db2.gz IYCRVFMRRVYHFZ-WMLDXEAASA-N 1 0 323.404 2.014 10 0 DEAERO C[C@H]1CSCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000191256764 402655001 /nfs/dbraw/zinc/65/50/01/402655001.db2.gz DZYHKGHGIUTJTI-ZBFHGGJFSA-N 1 0 306.475 2.371 10 0 DEAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)N1CCCc2ccccc21 ZINC000191260560 402655227 /nfs/dbraw/zinc/65/52/27/402655227.db2.gz UQNNTFAIZMFIMV-KBPBESRZSA-N 1 0 302.418 2.200 10 0 DEAERO CCOCC[N@@H+]1CCN([C@@H](CC)C(=O)OC(C)(C)C)C[C@H]1C ZINC000192001481 402703484 /nfs/dbraw/zinc/70/34/84/402703484.db2.gz BWYQTXKTHTWNOJ-CABCVRRESA-N 1 0 314.470 2.149 10 0 DEAERO O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1ccncc1 ZINC000173575878 402703696 /nfs/dbraw/zinc/70/36/96/402703696.db2.gz PQDYYSQFBSVBPM-INIZCTEOSA-N 1 0 303.406 2.444 10 0 DEAERO C[C@@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)[N@H+](C)C1CC1 ZINC000182701798 402710265 /nfs/dbraw/zinc/71/02/65/402710265.db2.gz ZFHQGEMRDGXMDI-SWLSCSKDSA-N 1 0 305.426 2.129 10 0 DEAERO Cc1nnc(CN2CC[C@H](C[NH+]3CCCCC3)C2)n1C1CC1 ZINC000173874569 402716257 /nfs/dbraw/zinc/71/62/57/402716257.db2.gz MMNYDCGTNZZEFX-OAHLLOKOSA-N 1 0 303.454 2.229 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)Cc1cccc2c1OCCO2 ZINC000261748879 402716507 /nfs/dbraw/zinc/71/65/07/402716507.db2.gz LQFVDGYKEXWVRY-UHFFFAOYSA-N 1 0 312.413 2.461 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)CN1CCc2ccccc21 ZINC000261749803 402716639 /nfs/dbraw/zinc/71/66/39/402716639.db2.gz PDZOCLLICWMIAH-UHFFFAOYSA-N 1 0 323.440 2.079 10 0 DEAERO O=C1O[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)CC12CCC2 ZINC000192204362 402717281 /nfs/dbraw/zinc/71/72/81/402717281.db2.gz XBNICERPAYVFHN-RRFJBIMHSA-N 1 0 303.406 2.442 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]3C)C2=O)n(C)n1 ZINC000252734453 402660773 /nfs/dbraw/zinc/66/07/73/402660773.db2.gz MUBNSENNRRISAW-YUELXQCFSA-N 1 0 304.438 2.392 10 0 DEAERO Cc1ncsc1CC[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172535436 402661666 /nfs/dbraw/zinc/66/16/66/402661666.db2.gz NPGOSPQSTNEENL-CQSZACIVSA-N 1 0 317.462 2.385 10 0 DEAERO Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000172600903 402665746 /nfs/dbraw/zinc/66/57/46/402665746.db2.gz IPTFCWORALNRQD-ZDUSSCGKSA-N 1 0 319.453 2.059 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@](C)(O)C2CCCCC2)C1 ZINC000191493541 402673630 /nfs/dbraw/zinc/67/36/30/402673630.db2.gz CNMMMZQTSSCFHH-WBVHZDCISA-N 1 0 311.470 2.101 10 0 DEAERO CCN(CC)C(=O)C1([NH2+]CCC(=O)NC(C)C)CCCCC1 ZINC000172822200 402677038 /nfs/dbraw/zinc/67/70/38/402677038.db2.gz RNDGCPAFEJIKLZ-UHFFFAOYSA-N 1 0 311.470 2.062 10 0 DEAERO CC(C)NC(=O)CC[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000172821244 402677379 /nfs/dbraw/zinc/67/73/79/402677379.db2.gz SQLRIJCFGYNQDI-QGZVFWFLSA-N 1 0 306.450 2.420 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182331011 402681824 /nfs/dbraw/zinc/68/18/24/402681824.db2.gz BMXRLUPEUQQYHT-ZFWWWQNUSA-N 1 0 307.442 2.377 10 0 DEAERO c1cnn(C[C@@H]2C[N@H+](CCCOCc3ccccc3)CCO2)c1 ZINC000182353138 402682785 /nfs/dbraw/zinc/68/27/85/402682785.db2.gz SQCTWUXONVWTEO-SFHVURJKSA-N 1 0 315.417 2.191 10 0 DEAERO Cc1c(F)cccc1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000173032147 402683312 /nfs/dbraw/zinc/68/33/12/402683312.db2.gz RRHSGJLLFSZWHZ-LBPRGKRZSA-N 1 0 314.426 2.287 10 0 DEAERO Fc1ccccc1SCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173934288 402720135 /nfs/dbraw/zinc/72/01/35/402720135.db2.gz BKBXIHUBNFOQPY-AWEZNQCLSA-N 1 0 310.438 2.324 10 0 DEAERO [NH3+][C@@H](C(=O)N1CCSC2(CCCCC2)C1)C1CCOCC1 ZINC000262077009 402721838 /nfs/dbraw/zinc/72/18/38/402721838.db2.gz SVMMCQRBFSFKJX-CQSZACIVSA-N 1 0 312.479 2.019 10 0 DEAERO CCCCOCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000173315974 402692294 /nfs/dbraw/zinc/69/22/94/402692294.db2.gz OHDUMOHYLLCYGV-JKSUJKDBSA-N 1 0 311.470 2.461 10 0 DEAERO CC(C)c1nnc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1C ZINC000173940357 402720491 /nfs/dbraw/zinc/72/04/91/402720491.db2.gz BXHDLYBAQPMURC-CABCVRRESA-N 1 0 305.470 2.386 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000173373371 402694221 /nfs/dbraw/zinc/69/42/21/402694221.db2.gz QWPRTOMIAFCSMT-AWEZNQCLSA-N 1 0 309.410 2.094 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C/C=C\c2ccc(F)cc2)C[C@H]1C ZINC000255881185 402697618 /nfs/dbraw/zinc/69/76/18/402697618.db2.gz ULSFOEVNBWSYRL-OVNWPICBSA-N 1 0 320.408 2.143 10 0 DEAERO COCCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182569892 402700544 /nfs/dbraw/zinc/70/05/44/402700544.db2.gz CDBKMIPCOPYKHE-JWTNVVGKSA-N 1 0 309.498 2.046 10 0 DEAERO CCc1cnc(CCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000173513384 402700882 /nfs/dbraw/zinc/70/08/82/402700882.db2.gz QFUDEHFEOVWYKI-QWHCGFSZSA-N 1 0 322.478 2.126 10 0 DEAERO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](CO)c2ccccc2)sc1C ZINC000182916238 402726853 /nfs/dbraw/zinc/72/68/53/402726853.db2.gz RSAIKVJWLDEOEN-SMDDNHRTSA-N 1 0 319.430 2.410 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000262633724 402728715 /nfs/dbraw/zinc/72/87/15/402728715.db2.gz ODUBPDLRTXGDTB-JZXOWHBKSA-N 1 0 302.418 2.473 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c(Cl)cc1F ZINC000262753893 402730069 /nfs/dbraw/zinc/73/00/69/402730069.db2.gz HDFXETBGQAYBJS-UWVGGRQHSA-N 1 0 320.817 2.158 10 0 DEAERO Cc1ccc(-c2cc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)[nH]n2)c(C)c1 ZINC000192506006 402733534 /nfs/dbraw/zinc/73/35/34/402733534.db2.gz RDMQQXUGZQHFAK-GASCZTMLSA-N 1 0 324.428 2.327 10 0 DEAERO C[C@H](CNC(=O)[C@H]1CCOC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000193980979 402780809 /nfs/dbraw/zinc/78/08/09/402780809.db2.gz RJWASOXPOIBLTK-RKVPGOIHSA-N 1 0 316.445 2.222 10 0 DEAERO Cc1cccc(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000193981598 402780940 /nfs/dbraw/zinc/78/09/40/402780940.db2.gz JFVZQOXXMSWQSB-UHFFFAOYSA-N 1 0 304.438 2.452 10 0 DEAERO Cc1cnc([C@H](C)CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)s1 ZINC000183193036 402746001 /nfs/dbraw/zinc/74/60/01/402746001.db2.gz NPUIRPNOXRHMJG-TZMCWYRMSA-N 1 0 320.462 2.211 10 0 DEAERO CN(C)c1noc(CN(CCO)[C@H]2CCCc3ccccc32)n1 ZINC000192758018 402748241 /nfs/dbraw/zinc/74/82/41/402748241.db2.gz IILIWSIVHXLTFR-HNNXBMFYSA-N 1 0 316.405 2.008 10 0 DEAERO COc1ccccc1N1CC[C@@H]([N@H+](C)[C@H](CO)CC(C)C)C1=O ZINC000192791151 402750241 /nfs/dbraw/zinc/75/02/41/402750241.db2.gz PJMIFAMYZHEXBF-GOEBONIOSA-N 1 0 320.433 2.139 10 0 DEAERO C[NH2+]CCN(C)C(=O)c1cccc(OCc2c(C)noc2C)c1 ZINC000263254967 402751044 /nfs/dbraw/zinc/75/10/44/402751044.db2.gz QJLJFMPYGZXELA-UHFFFAOYSA-N 1 0 317.389 2.162 10 0 DEAERO O=C(CCC1CC[NH2+]CC1)N1CCC(Oc2ccccn2)CC1 ZINC000263261356 402751550 /nfs/dbraw/zinc/75/15/50/402751550.db2.gz QYYOBWCRIBYJHM-UHFFFAOYSA-N 1 0 317.433 2.231 10 0 DEAERO CC(C)C[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C(C)C ZINC000192850654 402753151 /nfs/dbraw/zinc/75/31/51/402753151.db2.gz GJACNPWVZMZSPI-AWEZNQCLSA-N 1 0 318.417 2.010 10 0 DEAERO C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@H](O)c1ccc(F)cc1 ZINC000183613242 402781808 /nfs/dbraw/zinc/78/18/08/402781808.db2.gz HVRQIZPTMIQWCP-ZBEGNZNMSA-N 1 0 317.364 2.139 10 0 DEAERO 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301.390 2.354 10 0 DEAERO CN(Cc1ccc2c(c1)sc(=O)n2C)C[C@@H]1CCC[N@H+](C)C1 ZINC000194990547 402825612 /nfs/dbraw/zinc/82/56/12/402825612.db2.gz ROFXRGNRRQZOGH-CQSZACIVSA-N 1 0 319.474 2.374 10 0 DEAERO O[C@H](COCc1ccccc1)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000175759463 402829909 /nfs/dbraw/zinc/82/99/09/402829909.db2.gz KHSKLOKRZZKUMN-AEFFLSMTSA-N 1 0 305.418 2.065 10 0 DEAERO Cc1ccc(OCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(C)c1 ZINC000195077691 402830538 /nfs/dbraw/zinc/83/05/38/402830538.db2.gz UTRPDAICSODANH-MRXNPFEDSA-N 1 0 302.418 2.379 10 0 DEAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cccc(C)c2)CC1 ZINC000195098736 402831539 /nfs/dbraw/zinc/83/15/39/402831539.db2.gz BQHRSJDBVJQBFN-UHFFFAOYSA-N 1 0 310.463 2.395 10 0 DEAERO CCCCOC[C@@H](O)CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000195183886 402835528 /nfs/dbraw/zinc/83/55/28/402835528.db2.gz PRSMBXVVCCSCIK-ZWKOTPCHSA-N 1 0 307.434 2.412 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1COc2ccccc21 ZINC000195197656 402836467 /nfs/dbraw/zinc/83/64/67/402836467.db2.gz 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Cn1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1C1CC1 ZINC000270398993 403187697 /nfs/dbraw/zinc/18/76/97/403187697.db2.gz CBYUIKOFNJJNGM-SJLPKXTDSA-N 1 0 324.428 2.473 10 0 DEAERO C[C@H](CCC(C)(C)C)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000342687795 403308490 /nfs/dbraw/zinc/30/84/90/403308490.db2.gz KCUKKKZXAODWKZ-CYBMUJFWSA-N 1 0 304.500 2.462 10 0 DEAERO O[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000345754816 403470238 /nfs/dbraw/zinc/47/02/38/403470238.db2.gz AUSRXBFPPFEYTL-RCCFBDPRSA-N 1 0 317.429 2.026 10 0 DEAERO CC(=O)CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)[C@H]2C)cc1 ZINC000293532188 403497106 /nfs/dbraw/zinc/49/71/06/403497106.db2.gz XEIWVAPEKSOPSX-FRFSOERESA-N 1 0 305.418 2.288 10 0 DEAERO C[C@H]1CCC[C@](CNc2nn3c(nccc3=O)s2)([NH+](C)C)C1 ZINC000301072515 403586468 /nfs/dbraw/zinc/58/64/68/403586468.db2.gz HCGHUFWTYYLGHH-NHYWBVRUSA-N 1 0 321.450 2.073 10 0 DEAERO O=C(Nc1ccn2ccnc2c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333255878 403708170 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COc1ccc(F)cc1[C@@H](C)NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333287977 403716799 /nfs/dbraw/zinc/71/67/99/403716799.db2.gz NVMYSPBNGKDFMO-GFCCVEGCSA-N 1 0 321.396 2.433 10 0 DEAERO CC(C)c1cc(N[C@@H]2CCC[C@@H]2O)nc(N[C@H]2CCC[C@H]2O)[nH+]1 ZINC000302777845 403724876 /nfs/dbraw/zinc/72/48/76/403724876.db2.gz PRJBYCGVJAGKDY-PAPYEOQZSA-N 1 0 320.437 2.251 10 0 DEAERO Cc1nn(C)c2cc(NC(=O)N[C@H]3CCCC[NH2+]C3)ccc12 ZINC000333399915 403743676 /nfs/dbraw/zinc/74/36/76/403743676.db2.gz YOJMEKLWEJJOMH-ZDUSSCGKSA-N 1 0 301.394 2.145 10 0 DEAERO O=C(NC[C@H]1CCC[NH2+]C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000333471334 403759840 /nfs/dbraw/zinc/75/98/40/403759840.db2.gz AUIIIAHFSLJHLK-ZDUSSCGKSA-N 1 0 312.417 2.235 10 0 DEAERO CC(=O)c1ccc(NC(=O)CC[N@@H+](C[C@@H](C)O)C(C)C)cc1 ZINC000303988437 403760014 /nfs/dbraw/zinc/76/00/14/403760014.db2.gz JZNNKRIIKVFPIL-CYBMUJFWSA-N 1 0 306.406 2.309 10 0 DEAERO C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)c1cccc(Cl)c1 ZINC000341073476 403761298 /nfs/dbraw/zinc/76/12/98/403761298.db2.gz VHYBEIDOGAEVFS-LLVKDONJSA-N 1 0 304.843 2.272 10 0 DEAERO C/C=C\C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000351634658 403818722 /nfs/dbraw/zinc/81/87/22/403818722.db2.gz RUIZNSDYMRKRSX-AOAYNFQDSA-N 1 0 317.433 2.058 10 0 DEAERO C[C@H]1CN(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)C[C@H]1[NH3+] ZINC000333587566 403785784 /nfs/dbraw/zinc/78/57/84/403785784.db2.gz OFFJEAKVGNUNRG-AMFBXLIHSA-N 1 0 309.360 2.331 10 0 DEAERO CSc1cc(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)ccn1 ZINC000333619230 403794593 /nfs/dbraw/zinc/79/45/93/403794593.db2.gz RKUKYKHPHSUTFN-UHFFFAOYSA-N 1 0 320.462 2.089 10 0 DEAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC(C)(C)C3(O)CCOCC3)C[C@H]2C1 ZINC000333648094 403803090 /nfs/dbraw/zinc/80/30/90/403803090.db2.gz YLVWGTUXPPIFIJ-GEEKYZPCSA-N 1 0 311.466 2.347 10 0 DEAERO CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CCc3nnnn3CC2)C1 ZINC000333765908 403851594 /nfs/dbraw/zinc/85/15/94/403851594.db2.gz QFFJKPNRBMMXSV-WCQYABFASA-N 1 0 301.394 2.274 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000333792124 403862115 /nfs/dbraw/zinc/86/21/15/403862115.db2.gz GISXHNCNUFCMAY-IRXDYDNUSA-N 1 0 316.449 2.415 10 0 DEAERO O=C(C1CC1)N1CCCCC[C@@H]1C1CC[NH+](CCCO)CC1 ZINC000369280952 404032169 /nfs/dbraw/zinc/03/21/69/404032169.db2.gz USYVVRXHVQJRMY-QGZVFWFLSA-N 1 0 308.466 2.262 10 0 DEAERO C[C@H]1CC([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C[C@H](C)C1 ZINC000329045080 404211883 /nfs/dbraw/zinc/21/18/83/404211883.db2.gz UOTYEWUYPXAABV-CTWCOEIASA-N 1 0 304.438 2.106 10 0 DEAERO Cn1nccc1/C=C/C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000369709171 404202726 /nfs/dbraw/zinc/20/27/26/404202726.db2.gz BGMHRDUGXOMOFG-BLGFXRMMSA-N 1 0 324.428 2.166 10 0 DEAERO Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)C2)nn1 ZINC000329288642 404291325 /nfs/dbraw/zinc/29/13/25/404291325.db2.gz QAOQSRUTWBGAQD-DIECFANBSA-N 1 0 316.449 2.157 10 0 DEAERO Cc1nccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)n1 ZINC000370029771 404309516 /nfs/dbraw/zinc/30/95/16/404309516.db2.gz IKKWXZOIWBAPML-CQSZACIVSA-N 1 0 311.389 2.031 10 0 DEAERO C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000364500245 404422615 /nfs/dbraw/zinc/42/26/15/404422615.db2.gz BMUNGXJTLSMHNT-CQSZACIVSA-N 1 0 304.438 2.001 10 0 DEAERO CC(C)[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)(C)O ZINC000364505461 404425535 /nfs/dbraw/zinc/42/55/35/404425535.db2.gz RAJFXNOIIVYEOC-DKUMPPAJSA-N 1 0 311.470 2.096 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+]CC[C@H]1CCCCO1 ZINC000291743980 404502053 /nfs/dbraw/zinc/50/20/53/404502053.db2.gz PHDXXKSKJAOJHC-QGZVFWFLSA-N 1 0 300.406 2.375 10 0 DEAERO CC(=O)c1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc1 ZINC000297122278 404460409 /nfs/dbraw/zinc/46/04/09/404460409.db2.gz IGIQFMVHQVLQAS-SMDDNHRTSA-N 1 0 304.394 2.231 10 0 DEAERO CO[C@@H]1CC[C@H](NC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)C1 ZINC000373763842 404584104 /nfs/dbraw/zinc/58/41/04/404584104.db2.gz WXTPPIZCAFDWGC-FRRDWIJNSA-N 1 0 305.422 2.322 10 0 DEAERO O=c1[nH]ccc2c1C[N@@H+]([C@H]1CCCN(c3ccccc3)C1=O)CC2 ZINC000330258961 404604755 /nfs/dbraw/zinc/60/47/55/404604755.db2.gz MYMNNWQLEKXONX-KRWDZBQOSA-N 1 0 323.396 2.341 10 0 DEAERO COc1ccccc1N1CCC[C@@H]([NH2+]Cc2c(C)cnn2C)C1 ZINC000375770081 404743317 /nfs/dbraw/zinc/74/33/17/404743317.db2.gz SDEBFHZZMYGLQZ-OAHLLOKOSA-N 1 0 314.433 2.496 10 0 DEAERO CCc1cccnc1[C@@H](C)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000356886034 404716890 /nfs/dbraw/zinc/71/68/90/404716890.db2.gz XIPVGOTURJICQC-CJNGLKHVSA-N 1 0 317.433 2.075 10 0 DEAERO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1C[C@@H](O)C1CCCCC1 ZINC000375471172 404723621 /nfs/dbraw/zinc/72/36/21/404723621.db2.gz PYHNAUXESUVBKI-TVFCKZIOSA-N 1 0 311.466 2.180 10 0 DEAERO CC(C)(C)c1n[nH]cc1C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000376018144 404789188 /nfs/dbraw/zinc/78/91/88/404789188.db2.gz IBAOGDHZJPQVFU-QGZVFWFLSA-N 1 0 307.438 2.477 10 0 DEAERO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435132576 404958142 /nfs/dbraw/zinc/95/81/42/404958142.db2.gz YDFIJHCLNLZKIP-CYBMUJFWSA-N 1 0 316.405 2.408 10 0 DEAERO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000434834177 404938656 /nfs/dbraw/zinc/93/86/56/404938656.db2.gz OIYUDBKBVUDUKI-CYBMUJFWSA-N 1 0 302.378 2.018 10 0 DEAERO CC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1COC1 ZINC000451289324 404940997 /nfs/dbraw/zinc/94/09/97/404940997.db2.gz VIUMYAODMMSTEZ-ZDUSSCGKSA-N 1 0 303.324 2.330 10 0 DEAERO COc1ccc(C(=O)N2C[C@@H]([NH3+])CC[C@H]2C(F)(F)F)cc1F ZINC000379277849 405025717 /nfs/dbraw/zinc/02/57/17/405025717.db2.gz PLKXRBWTORYVMW-CABZTGNLSA-N 1 0 320.286 2.329 10 0 DEAERO C[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@H](CO)CC(C)(C)C ZINC000451788607 405038407 /nfs/dbraw/zinc/03/84/07/405038407.db2.gz ZSBYUTNDKVNYAE-ZDUSSCGKSA-N 1 0 322.405 2.083 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccnc2cc(Br)cnc21 ZINC000385186325 405034253 /nfs/dbraw/zinc/03/42/53/405034253.db2.gz KWMUDMPCRPTDIO-PSASIEDQSA-N 1 0 307.195 2.318 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000353914832 404973600 /nfs/dbraw/zinc/97/36/00/404973600.db2.gz LJGJZBGLXUHEBB-JKSUJKDBSA-N 1 0 309.498 2.345 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2Br)C1 ZINC000389945344 405042815 /nfs/dbraw/zinc/04/28/15/405042815.db2.gz CSGVRSLHQNFTQB-VIFPVBQESA-N 1 0 315.186 2.412 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000361394041 405053947 /nfs/dbraw/zinc/05/39/47/405053947.db2.gz CRYIGOSETWFWLJ-SJORKVTESA-N 1 0 316.445 2.359 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2ncccc2N)C[N@@H+]1Cc1ccccc1 ZINC000398036983 405060540 /nfs/dbraw/zinc/06/05/40/405060540.db2.gz JDVQFNVVSRRDKK-HIFRSBDPSA-N 1 0 310.401 2.057 10 0 DEAERO c1[nH]nc2c1[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)CCC2 ZINC000367524136 405072714 /nfs/dbraw/zinc/07/27/14/405072714.db2.gz ANBUOGOAYGJRIR-INIZCTEOSA-N 1 0 312.417 2.414 10 0 DEAERO C[C@@H](COc1cccc(F)c1)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417239268 405074163 /nfs/dbraw/zinc/07/41/63/405074163.db2.gz KRGRIDROHCUVGW-ZDUSSCGKSA-N 1 0 323.412 2.282 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000361456532 405082513 /nfs/dbraw/zinc/08/25/13/405082513.db2.gz IDPQZKAXCQELFX-DOTOQJQBSA-N 1 0 318.465 2.312 10 0 DEAERO O=C(NCC[N@@H+]1CCCOCC1)N1CCC2(C1)CCCCC2 ZINC000436508151 405092457 /nfs/dbraw/zinc/09/24/57/405092457.db2.gz CCVCBAYYDUMXNB-UHFFFAOYSA-N 1 0 309.454 2.075 10 0 DEAERO CO[C@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1ccc(O)cc1 ZINC000408155804 405126736 /nfs/dbraw/zinc/12/67/36/405126736.db2.gz UMDASCGSMIMDMX-INIZCTEOSA-N 1 0 318.417 2.167 10 0 DEAERO CC(C)[NH2+]C1CCN(C(=O)NCC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000408258432 405154538 /nfs/dbraw/zinc/15/45/38/405154538.db2.gz WWVOKHMKFSHSJU-KBPBESRZSA-N 1 0 311.470 2.362 10 0 DEAERO Cc1nc(C2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCCCC2)no1 ZINC000408275107 405158922 /nfs/dbraw/zinc/15/89/22/405158922.db2.gz UKBRJPVCPGYIPE-JSGCOSHPSA-N 1 0 320.437 2.384 10 0 DEAERO C[N@@H+]1CCN(C(=O)COc2ccc(O)cc2)C2(CCCCC2)C1 ZINC000408359610 405184887 /nfs/dbraw/zinc/18/48/87/405184887.db2.gz NSXYWEYYYYDIES-UHFFFAOYSA-N 1 0 318.417 2.248 10 0 DEAERO Cc1cnc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c(O)c1 ZINC000408367241 405187700 /nfs/dbraw/zinc/18/77/00/405187700.db2.gz SREREXHJYRAIGU-UHFFFAOYSA-N 1 0 317.433 2.434 10 0 DEAERO CN(C(=O)c1ccc2c(c1O)OC(C)(C)C2)C1CC[NH+](C)CC1 ZINC000408409850 405199214 /nfs/dbraw/zinc/19/92/14/405199214.db2.gz FJRBGBRATITAQT-UHFFFAOYSA-N 1 0 318.417 2.272 10 0 DEAERO COc1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)c2ccccc12 ZINC000368285656 405234323 /nfs/dbraw/zinc/23/43/23/405234323.db2.gz WPLJEEQECMRCOA-MRXNPFEDSA-N 1 0 312.413 2.365 10 0 DEAERO CC[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CC1(C)C ZINC000419316675 405237728 /nfs/dbraw/zinc/23/77/28/405237728.db2.gz LPGLRUKQURLLQU-MJBXVCDLSA-N 1 0 302.484 2.072 10 0 DEAERO C[N@H+](CCCO)CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000440951068 405331668 /nfs/dbraw/zinc/33/16/68/405331668.db2.gz CMICZPHJXYCDQY-SFHVURJKSA-N 1 0 322.424 2.487 10 0 DEAERO C[N@H+](CCCO)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000440947149 405331810 /nfs/dbraw/zinc/33/18/10/405331810.db2.gz XKPSFVURLVXSIN-GOSISDBHSA-N 1 0 310.246 2.415 10 0 DEAERO COc1cccc([C@@H](C)CC(=O)NCCNc2cc[nH+]cc2)c1 ZINC000440048245 405300442 /nfs/dbraw/zinc/30/04/42/405300442.db2.gz DFBZQECEJMZXGH-AWEZNQCLSA-N 1 0 313.401 2.234 10 0 DEAERO O=C(NCC1CCCCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000455379251 405402940 /nfs/dbraw/zinc/40/29/40/405402940.db2.gz YGZOZXZMXUVIHS-UHFFFAOYSA-N 1 0 323.481 2.463 10 0 DEAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000556506001 405485997 /nfs/dbraw/zinc/48/59/97/405485997.db2.gz SORQBDZVIGSERC-OALUTQOASA-N 1 0 317.429 2.332 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc3cc[nH]c32)CC12COC2 ZINC000449363186 405524999 /nfs/dbraw/zinc/52/49/99/405524999.db2.gz LOZLOMUEONOSFH-HNNXBMFYSA-N 1 0 314.385 2.179 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000458670072 405533190 /nfs/dbraw/zinc/53/31/90/405533190.db2.gz TVSJJNUHTXSTJS-IAGOWNOFSA-N 1 0 303.450 2.468 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(Br)s1 ZINC000638568826 405549233 /nfs/dbraw/zinc/54/92/33/405549233.db2.gz VALMETWZAMMXJA-JGVFFNPUSA-N 1 0 303.225 2.381 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(F)ccc1Br ZINC000638568419 405549824 /nfs/dbraw/zinc/54/98/24/405549824.db2.gz MKFAAOZMZRPHBG-NWDGAFQWSA-N 1 0 315.186 2.459 10 0 DEAERO COc1nsc(C[NH2+][C@H](CCO)C(C)C)c1Br ZINC000638689277 405619060 /nfs/dbraw/zinc/61/90/60/405619060.db2.gz KHJHMIILYTZRDT-MRVPVSSYSA-N 1 0 323.256 2.411 10 0 DEAERO COc1nsc(C[NH2+][C@H](C)[C@H]2CCOC2)c1Br ZINC000638692270 405620125 /nfs/dbraw/zinc/62/01/25/405620125.db2.gz FVJKMZQFXNCYAU-SFYZADRCSA-N 1 0 321.240 2.429 10 0 DEAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1ccc2cc[nH]c2n1 ZINC000458799221 405597973 /nfs/dbraw/zinc/59/79/73/405597973.db2.gz ZOAKAQDBPXEARP-HNNXBMFYSA-N 1 0 315.421 2.189 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)c2ccc(F)cc2Br)C[NH2+]1 ZINC000638654382 405598304 /nfs/dbraw/zinc/59/83/04/405598304.db2.gz FDORPYCXMMFLHA-SCZZXKLOSA-N 1 0 315.186 2.459 10 0 DEAERO CC[C@@H](CCO)C[NH2+]Cc1snc(OC)c1Br ZINC000638764834 405656051 /nfs/dbraw/zinc/65/60/51/405656051.db2.gz BMEMCRHQXUWZSA-QMMMGPOBSA-N 1 0 323.256 2.412 10 0 DEAERO CC(=O)c1ccc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)nc1C ZINC000431814723 405677795 /nfs/dbraw/zinc/67/77/95/405677795.db2.gz TYIQITYVLYSPRI-MRXNPFEDSA-N 1 0 317.433 2.473 10 0 DEAERO CC[C@](C)(CO)[NH2+]Cc1snc(OC)c1Br ZINC000638849641 405713966 /nfs/dbraw/zinc/71/39/66/405713966.db2.gz YJPRWCAUZCNFCY-SNVBAGLBSA-N 1 0 309.229 2.165 10 0 DEAERO CC(=O)c1ccc(CC(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)cc1 ZINC000636089393 405729853 /nfs/dbraw/zinc/72/98/53/405729853.db2.gz RTBFWUKSNLGXEM-HOTGVXAUSA-N 1 0 302.418 2.277 10 0 DEAERO Cc1cc(Br)ccc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638893546 405745043 /nfs/dbraw/zinc/74/50/43/405745043.db2.gz ZKLUXQLJAPKBDT-MNOVXSKESA-N 1 0 311.223 2.424 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)CCc2cccc3ccccc32)C1 ZINC000583617606 405775630 /nfs/dbraw/zinc/77/56/30/405775630.db2.gz KJMMAMVSULVIRV-WMZOPIPTSA-N 1 0 312.413 2.218 10 0 DEAERO Cc1ccccc1OCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000583619713 405775897 /nfs/dbraw/zinc/77/58/97/405775897.db2.gz QEKHMOMNGNMKNW-GVDBMIGSSA-N 1 0 305.418 2.236 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)NCCCC[N@H+](C)C2CC2)no1 ZINC000459165216 405777721 /nfs/dbraw/zinc/77/77/21/405777721.db2.gz RUZBMQMLXJWRTH-UHFFFAOYSA-N 1 0 323.441 2.041 10 0 DEAERO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2nnc(C)o2)cc1 ZINC000583615586 405774647 /nfs/dbraw/zinc/77/46/47/405774647.db2.gz MQJIFRXWTJBFNE-RDJZCZTQSA-N 1 0 317.389 2.259 10 0 DEAERO CCn1nncc1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000459398125 405888880 /nfs/dbraw/zinc/88/88/80/405888880.db2.gz SVTSVPHCDOWPCR-GFCCVEGCSA-N 1 0 304.394 2.474 10 0 DEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000423648101 405892787 /nfs/dbraw/zinc/89/27/87/405892787.db2.gz RHGJBLRTRDSXIG-KCJUWKMLSA-N 1 0 303.189 2.320 10 0 DEAERO CCn1nncc1CN1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000459517672 405938120 /nfs/dbraw/zinc/93/81/20/405938120.db2.gz RHLAXDVRSOHINA-INIZCTEOSA-N 1 0 313.449 2.252 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459542994 405949306 /nfs/dbraw/zinc/94/93/06/405949306.db2.gz IFNDZEUINWDBHP-CYBMUJFWSA-N 1 0 307.442 2.397 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000457692687 405954135 /nfs/dbraw/zinc/95/41/35/405954135.db2.gz GYIMNLZNCKGVOX-UHFFFAOYSA-N 1 0 318.417 2.243 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000457590304 405909732 /nfs/dbraw/zinc/90/97/32/405909732.db2.gz FFRVYNLOPLTGMR-XJKSGUPXSA-N 1 0 318.417 2.194 10 0 DEAERO C[NH+]1CCC(C(=O)N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC000531871254 406017883 /nfs/dbraw/zinc/01/78/83/406017883.db2.gz RCMJVQMIRODFAG-AWEZNQCLSA-N 1 0 324.465 2.299 10 0 DEAERO COc1nsc(C[NH2+][C@@H](CO)C2CCC2)c1Br ZINC000639305091 406033176 /nfs/dbraw/zinc/03/31/76/406033176.db2.gz JNRAXRCSHVBDLB-QMMMGPOBSA-N 1 0 321.240 2.165 10 0 DEAERO CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H](C)[C@@H](C)OC)c1ccco1 ZINC000461007604 406081746 /nfs/dbraw/zinc/08/17/46/406081746.db2.gz LAJDOYQGRZFXJE-DGAVXFQQSA-N 1 0 311.426 2.431 10 0 DEAERO Cc1csc([C@H](C)NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)n1 ZINC000532060542 406039454 /nfs/dbraw/zinc/03/94/54/406039454.db2.gz JSLFJKQGWFMXAO-GAFUQQFSSA-N 1 0 308.451 2.294 10 0 DEAERO c1c(C[N@@H+]2CCC[C@H](C3CCC3)C2)nnn1C[C@H]1CCOC1 ZINC000639328343 406048945 /nfs/dbraw/zinc/04/89/45/406048945.db2.gz HFSGAWCYQXTHMI-ZBFHGGJFSA-N 1 0 304.438 2.327 10 0 DEAERO C[C@@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C)[N@H+](C)C1CC1 ZINC000471823022 406121249 /nfs/dbraw/zinc/12/12/49/406121249.db2.gz CKKPXMUUACKDRP-UMNHJUIQSA-N 1 0 307.360 2.451 10 0 DEAERO CO[C@@H]1CC[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000471825250 406122392 /nfs/dbraw/zinc/12/23/92/406122392.db2.gz KBTSHBUQXKWRIJ-BRWVUGGUSA-N 1 0 319.449 2.026 10 0 DEAERO CO[C@H]1CC[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000471964792 406133880 /nfs/dbraw/zinc/13/38/80/406133880.db2.gz JXTRQNNCWLSGSS-GJZGRUSLSA-N 1 0 305.422 2.480 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@H](O)CC1CCCC1 ZINC000634726014 406248785 /nfs/dbraw/zinc/24/87/85/406248785.db2.gz JLAHBWXHZLUULA-LLVKDONJSA-N 1 0 316.243 2.213 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)C(F)(F)F ZINC000634724426 406248878 /nfs/dbraw/zinc/24/88/78/406248878.db2.gz PWNLPJFHWBCGLF-YUELXQCFSA-N 1 0 316.367 2.267 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1OC(F)F ZINC000487623704 406251818 /nfs/dbraw/zinc/25/18/18/406251818.db2.gz SASNLWAHOPEFOJ-JTQLQIEISA-N 1 0 302.296 2.251 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC000546565679 406362814 /nfs/dbraw/zinc/36/28/14/406362814.db2.gz GCIQRGTVBHBIOO-SJORKVTESA-N 1 0 323.481 2.389 10 0 DEAERO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488740192 406343794 /nfs/dbraw/zinc/34/37/94/406343794.db2.gz AGSUVUXLWVNKOX-UMVBOHGHSA-N 1 0 322.474 2.287 10 0 DEAERO Cc1ccc(F)c(C[N@H+](C)C[C@@H](O)COC[C@H]2CCCO2)c1 ZINC000520715508 406310600 /nfs/dbraw/zinc/31/06/00/406310600.db2.gz GDAAQRJZPYZRSW-HZPDHXFCSA-N 1 0 311.397 2.122 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]C[C@@H]2CSc3ccccc32)CC1 ZINC000634982666 406384957 /nfs/dbraw/zinc/38/49/57/406384957.db2.gz RGTNAMQLRPCKTH-OLZOCXBDSA-N 1 0 311.472 2.433 10 0 DEAERO COc1cccc2c1CC[N@H+](CCC(=O)N1CCCCC1)CC2 ZINC000489525498 406415576 /nfs/dbraw/zinc/41/55/76/406415576.db2.gz BJDUNFGDBUDTCN-UHFFFAOYSA-N 1 0 316.445 2.498 10 0 DEAERO CN(CC1CCCC1)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637963006 406499199 /nfs/dbraw/zinc/49/91/99/406499199.db2.gz JKWKXHURGMGAKZ-QGZVFWFLSA-N 1 0 303.450 2.094 10 0 DEAERO Cc1c(Br)cccc1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637905658 406471346 /nfs/dbraw/zinc/47/13/46/406471346.db2.gz NEQKIRGHZBLTTI-ZDUSSCGKSA-N 1 0 313.195 2.075 10 0 DEAERO C[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000637919263 406477356 /nfs/dbraw/zinc/47/73/56/406477356.db2.gz RIFCFJOWDJYYJH-OIISXLGYSA-N 1 0 303.450 2.141 10 0 DEAERO C[C@@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)c1ccc(Cl)s1 ZINC000637919609 406477827 /nfs/dbraw/zinc/47/78/27/406477827.db2.gz LROYXHDLMVRDGH-NOZJJQNGSA-N 1 0 302.827 2.334 10 0 DEAERO C[C@H]1CCCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000637957176 406494943 /nfs/dbraw/zinc/49/49/43/406494943.db2.gz DKPDPDWLZIXCNE-DOTOQJQBSA-N 1 0 303.450 2.094 10 0 DEAERO CC[C@]1(O)CCN(Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1 ZINC000548299650 406497514 /nfs/dbraw/zinc/49/75/14/406497514.db2.gz NSMOEBPCVGCJIA-INIZCTEOSA-N 1 0 319.430 2.232 10 0 DEAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000524211779 406442359 /nfs/dbraw/zinc/44/23/59/406442359.db2.gz SRCCUTBZHAABTP-AWEZNQCLSA-N 1 0 319.453 2.031 10 0 DEAERO CC[C@@H](C)NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637869556 406454763 /nfs/dbraw/zinc/45/47/63/406454763.db2.gz XJFLPZXUVNPARP-OAHLLOKOSA-N 1 0 303.450 2.285 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637869918 406455561 /nfs/dbraw/zinc/45/55/61/406455561.db2.gz ZWBNTWZGCLPNDC-SJORKVTESA-N 1 0 303.450 2.237 10 0 DEAERO CC[C@@]1(C)CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638030816 406532855 /nfs/dbraw/zinc/53/28/55/406532855.db2.gz LPFWPVRPNBUCDK-WMZOPIPTSA-N 1 0 303.450 2.094 10 0 DEAERO CC[C@]1(C)CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638030814 406533044 /nfs/dbraw/zinc/53/30/44/406533044.db2.gz LPFWPVRPNBUCDK-FUHWJXTLSA-N 1 0 303.450 2.094 10 0 DEAERO COC(=O)CC1(CC(=O)NC[C@H](C)[NH+]2CCCC2)CCCC1 ZINC000526071384 406541055 /nfs/dbraw/zinc/54/10/55/406541055.db2.gz BUBQLGVYLATSNO-AWEZNQCLSA-N 1 0 310.438 2.101 10 0 DEAERO Cc1ccc(-c2noc(C[N@H+](CCO)C3CCOCC3)n2)cc1 ZINC000548406722 406512880 /nfs/dbraw/zinc/51/28/80/406512880.db2.gz BWQFIQKNWKMLIV-UHFFFAOYSA-N 1 0 317.389 2.018 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CCCC1(C)C ZINC000638004683 406519238 /nfs/dbraw/zinc/51/92/38/406519238.db2.gz FBTJIQGOVODXMO-CVEARBPZSA-N 1 0 303.450 2.141 10 0 DEAERO O=C(NCc1ccccc1-n1cccn1)[C@@H]1CCCc2nc[nH]c21 ZINC000550201995 406599367 /nfs/dbraw/zinc/59/93/67/406599367.db2.gz MXXYNODCTXRHMX-CQSZACIVSA-N 1 0 321.384 2.332 10 0 DEAERO CCc1cnc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000548992068 406570999 /nfs/dbraw/zinc/57/09/99/406570999.db2.gz UKLSCIPZZYNPLK-IUODEOHRSA-N 1 0 310.463 2.363 10 0 DEAERO COc1nsc(C[NH2+]C[C@H]2CCOC2)c1Br ZINC000638360854 406724640 /nfs/dbraw/zinc/72/46/40/406724640.db2.gz JGRAYARHOMOOAB-SSDOTTSWSA-N 1 0 307.213 2.040 10 0 DEAERO OCc1cc(OCC[NH+]2CCCC2)ccc1Br ZINC000128925370 196004572 /nfs/dbraw/zinc/00/45/72/196004572.db2.gz ANXBWTUGLMTWAA-UHFFFAOYSA-N 1 0 300.196 2.416 10 0 DEAERO C[C@@H]([NH3+])c1cc(Br)ccc1N1CCn2cnnc2C1 ZINC000128930025 196005008 /nfs/dbraw/zinc/00/50/08/196005008.db2.gz NEAZWJXTFXDWHH-SECBINFHSA-N 1 0 322.210 2.081 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@H](OC)C2CC2)c1Br ZINC000129190251 196027644 /nfs/dbraw/zinc/02/76/44/196027644.db2.gz PVPYCIPPJQPZOY-NOZJJQNGSA-N 1 0 316.243 2.040 10 0 DEAERO C[C@]1(CNc2nc3ccc(Br)cn3n2)CCC[NH2+]C1 ZINC000129406266 196046186 /nfs/dbraw/zinc/04/61/86/196046186.db2.gz OHBOOCWQRZOOBC-ZDUSSCGKSA-N 1 0 324.226 2.293 10 0 DEAERO C[C@@H](CC[NH3+])C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000129420583 196046842 /nfs/dbraw/zinc/04/68/42/196046842.db2.gz RPIAXHZSARHHEG-JTQLQIEISA-N 1 0 309.797 2.390 10 0 DEAERO CC[NH2+]C[C@H]1CCC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129561515 196058007 /nfs/dbraw/zinc/05/80/07/196058007.db2.gz WPUSGOGDRFPTAS-SOUVJXGZSA-N 1 0 302.484 2.074 10 0 DEAERO CC[C@]1(C(=O)Nc2ncc(Br)cc2C)CC[NH2+]C1 ZINC000129565127 196058228 /nfs/dbraw/zinc/05/82/28/196058228.db2.gz PNTLZTCSLNNTGE-ZDUSSCGKSA-N 1 0 312.211 2.481 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)C1(C)CC[NH2+]CC1 ZINC000129575980 196058601 /nfs/dbraw/zinc/05/86/01/196058601.db2.gz BPSROHKLAXLTSN-UHFFFAOYSA-N 1 0 312.211 2.481 10 0 DEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ncc(Br)cc1C ZINC000129631225 196063567 /nfs/dbraw/zinc/06/35/67/196063567.db2.gz IBDVCEZALHAGCF-VIFPVBQESA-N 1 0 300.200 2.479 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)[C@H](N)c2cccs2)CC1 ZINC000130522733 196087615 /nfs/dbraw/zinc/08/76/15/196087615.db2.gz KUFRNHTVEODILI-OAHLLOKOSA-N 1 0 309.479 2.328 10 0 DEAERO CO[C@@H]([C@H]([NH3+])Cc1c(Br)c(C)nn1C)C(C)(C)C ZINC000130654073 196098685 /nfs/dbraw/zinc/09/86/85/196098685.db2.gz LYEKFGODVSRTHB-SKDRFNHKSA-N 1 0 318.259 2.422 10 0 DEAERO C[NH2+]C[C@@H]1COCCN1Cc1cc(F)cc(Br)c1 ZINC000130766066 196108527 /nfs/dbraw/zinc/10/85/27/196108527.db2.gz RMKWENWAMPFWSP-CYBMUJFWSA-N 1 0 317.202 2.008 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)C(=O)NCC(F)(F)F ZINC000130832516 196114413 /nfs/dbraw/zinc/11/44/13/196114413.db2.gz OVOUDOBQYCCHBV-MWLCHTKSSA-N 1 0 302.296 2.167 10 0 DEAERO CS[C@H](C)CCNS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000130938687 196124418 /nfs/dbraw/zinc/12/44/18/196124418.db2.gz FKXQUOWXKOKVIV-GHMZBOCLSA-N 1 0 302.465 2.126 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2nc(C)ns2)C1 ZINC000131088100 196138694 /nfs/dbraw/zinc/13/86/94/196138694.db2.gz PJYWKRRLXNKGLY-GWCFXTLKSA-N 1 0 314.480 2.105 10 0 DEAERO C[C@H](c1cccs1)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131109382 196140825 /nfs/dbraw/zinc/14/08/25/196140825.db2.gz MQVLNMKMPVZQCZ-OLZOCXBDSA-N 1 0 316.492 2.413 10 0 DEAERO Cc1ccc(S(=O)(=O)NCCCC(F)(F)F)cc1C[NH3+] ZINC000131234532 196152031 /nfs/dbraw/zinc/15/20/31/196152031.db2.gz XAVQOJWHNKDKGC-UHFFFAOYSA-N 1 0 310.341 2.075 10 0 DEAERO CSCC[C@@H](C)NS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000131234068 196152221 /nfs/dbraw/zinc/15/22/21/196152221.db2.gz NDKKMWSMANDMEF-GHMZBOCLSA-N 1 0 302.465 2.126 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)OCC)cc1 ZINC000131230647 196152263 /nfs/dbraw/zinc/15/22/63/196152263.db2.gz QZUFEEBLWCNULC-CHWSQXEVSA-N 1 0 314.451 2.060 10 0 DEAERO Nc1nc(N2CCCC2)nc(NCCCCC(F)(F)F)[nH+]1 ZINC000131265451 196154923 /nfs/dbraw/zinc/15/49/23/196154923.db2.gz KDXRLMUMGAWUOG-UHFFFAOYSA-N 1 0 304.320 2.199 10 0 DEAERO O[C@@H](C[C@H]1COCC[NH2+]1)c1cc(Br)ccc1F ZINC000131404932 196166095 /nfs/dbraw/zinc/16/60/95/196166095.db2.gz LYCDOAMPDLBIBE-CABZTGNLSA-N 1 0 304.159 2.000 10 0 DEAERO CC[C@@H](C)[C@@](C)(O)c1c(Br)cnn1CC[NH+](C)C ZINC000131446565 196169946 /nfs/dbraw/zinc/16/99/46/196169946.db2.gz RELCFGLPXIVMTB-ZWNOBZJWSA-N 1 0 318.259 2.461 10 0 DEAERO C[C@@H]1C[C@H](N2C(=O)C3(CC3)N[C@H]2c2cccs2)CC[N@@H+]1C ZINC000131488500 196173112 /nfs/dbraw/zinc/17/31/12/196173112.db2.gz UPDQGJUCLDMSMH-YRGRVCCFSA-N 1 0 305.447 2.194 10 0 DEAERO CC[NH2+][C@@H](Cc1cccc(F)c1F)[C@@H]1CCCCS1(=O)=O ZINC000131484036 196173473 /nfs/dbraw/zinc/17/34/73/196173473.db2.gz MNTJOEKLTMRWJB-KBPBESRZSA-N 1 0 317.401 2.453 10 0 DEAERO CC[NH2+][C@@H](c1ncccc1F)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000131662514 196188986 /nfs/dbraw/zinc/18/89/86/196188986.db2.gz WDINFXUSUMSTHA-SGMGOOAPSA-N 1 0 314.426 2.475 10 0 DEAERO COC[C@H](C)[C@@H](C[NH3+])N(C)Cc1cccc(Br)c1 ZINC000131957890 196213796 /nfs/dbraw/zinc/21/37/96/196213796.db2.gz FHNWKSMDWXJNEI-SMDDNHRTSA-N 1 0 315.255 2.491 10 0 DEAERO Cc1sc2nc(CN3CC[C@@H]([C@@H](C)[NH3+])C3)nc(N)c2c1C ZINC000132387768 196252254 /nfs/dbraw/zinc/25/22/54/196252254.db2.gz HUTWBKJRWOLUGW-MWLCHTKSSA-N 1 0 305.451 2.059 10 0 DEAERO NC(=O)CC[NH2+][C@H]1CCCc2sc(Br)cc21 ZINC000132275027 196240485 /nfs/dbraw/zinc/24/04/85/196240485.db2.gz NHIJXFCLZFRTIZ-QMMMGPOBSA-N 1 0 303.225 2.353 10 0 DEAERO C[C@H]([NH2+]CCNC(=O)N(C)C)c1ccc(Br)cc1 ZINC000132281174 196241619 /nfs/dbraw/zinc/24/16/19/196241619.db2.gz DVKHOBNEUMPJNU-JTQLQIEISA-N 1 0 314.227 2.371 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(OCCCS(C)(=O)=O)c(Cl)c1 ZINC000132288996 196242751 /nfs/dbraw/zinc/24/27/51/196242751.db2.gz ASTGTNVOJTZEPW-JTQLQIEISA-N 1 0 305.827 2.434 10 0 DEAERO C[C@H]1CCC[C@@]1(O)c1c(Br)cnn1CC[NH+](C)C ZINC000132489576 196259248 /nfs/dbraw/zinc/25/92/48/196259248.db2.gz ZRHFBGNGEQDWPZ-GWCFXTLKSA-N 1 0 316.243 2.215 10 0 DEAERO CC[S@](=O)CC[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000132495324 196259319 /nfs/dbraw/zinc/25/93/19/196259319.db2.gz QPGYHOLOGYSGRC-OAQYLSRUSA-N 1 0 322.352 2.046 10 0 DEAERO COCC[N@H+](Cc1cncc(Br)c1)[C@@H](C)COC ZINC000132491633 196259361 /nfs/dbraw/zinc/25/93/61/196259361.db2.gz RIXBOOMFUBYLBY-NSHDSACASA-N 1 0 317.227 2.327 10 0 DEAERO COC[C@@H](C)[C@@H]1C[NH+]=C(N)N1c1ccc(Br)cc1 ZINC000132496416 196260359 /nfs/dbraw/zinc/26/03/59/196260359.db2.gz RUOHOYZPHLSHSF-SKDRFNHKSA-N 1 0 312.211 2.235 10 0 DEAERO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)s1 ZINC000132520778 196262310 /nfs/dbraw/zinc/26/23/10/196262310.db2.gz IOIVAGUMLDKLBI-POYBYMJQSA-N 1 0 309.357 2.478 10 0 DEAERO CCSCC[C@@H](C[NH3+])N1CCN(c2ccccc2F)CC1 ZINC000132583162 196268449 /nfs/dbraw/zinc/26/84/49/196268449.db2.gz BANFXEOAEAYPBC-AWEZNQCLSA-N 1 0 311.470 2.418 10 0 DEAERO CC[S@](=O)CC[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000132764359 196281736 /nfs/dbraw/zinc/28/17/36/196281736.db2.gz WZIBDNYTWUJOCY-LJQANCHMSA-N 1 0 323.245 2.290 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nn1cnc2ccccc21 ZINC000133166207 196317843 /nfs/dbraw/zinc/31/78/43/196317843.db2.gz DXOGYAOGAOUIKE-CQSZACIVSA-N 1 0 315.421 2.410 10 0 DEAERO C[NH2+][C@@H](CC[C@H]1CCCO1)c1c(Br)cnn1C ZINC000133733421 196333378 /nfs/dbraw/zinc/33/33/78/196333378.db2.gz FOBWGJIHQDHHHH-KOLCDFICSA-N 1 0 302.216 2.402 10 0 DEAERO CC(=O)NC1CCN([C@@H](c2ccc(Cl)s2)[C@H](C)[NH3+])CC1 ZINC000133741582 196333457 /nfs/dbraw/zinc/33/34/57/196333457.db2.gz GRCLYWMNXIZZMV-LKFCYVNXSA-N 1 0 315.870 2.390 10 0 DEAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1cccc(Br)c1O ZINC000133846090 196339920 /nfs/dbraw/zinc/33/99/20/196339920.db2.gz KXVBTOVWJHGFNP-MRVPVSSYSA-N 1 0 301.184 2.324 10 0 DEAERO CNc1cc(N2CC[NH+](C3CCCC3)CC2)nc(SC)n1 ZINC000134107668 196361996 /nfs/dbraw/zinc/36/19/96/196361996.db2.gz WRYUGMZBHUMKHM-UHFFFAOYSA-N 1 0 307.467 2.305 10 0 DEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000134237848 196372612 /nfs/dbraw/zinc/37/26/12/196372612.db2.gz JSYYRVDBNGQEBV-LDYMZIIASA-N 1 0 314.179 2.445 10 0 DEAERO CCC[C@H](O)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000134416375 196388261 /nfs/dbraw/zinc/38/82/61/196388261.db2.gz JMLQBBSNANWBGF-WDEREUQCSA-N 1 0 322.232 2.484 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Br)c(C)nn1C)C[C@@H](C)OC ZINC000134474775 196394959 /nfs/dbraw/zinc/39/49/59/196394959.db2.gz WDTZAAFCLAKCDV-MWLCHTKSSA-N 1 0 318.259 2.437 10 0 DEAERO C[NH2+][C@@H]1CSC[C@@H]1c1nc(Cc2ccc(F)cc2F)no1 ZINC000134821935 196421655 /nfs/dbraw/zinc/42/16/55/196421655.db2.gz GATDXBSXDQTXRP-CMPLNLGQSA-N 1 0 311.357 2.357 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C(C)(C)CCO)C1 ZINC000135227420 196455056 /nfs/dbraw/zinc/45/50/56/196455056.db2.gz MLRGCHZGKMGUCJ-ZDUSSCGKSA-N 1 0 300.443 2.384 10 0 DEAERO CC[C@@H]1CC[C@@H](C)N1S(=O)(=O)Cc1ccc(C[NH2+]C)cc1 ZINC000136769486 196552788 /nfs/dbraw/zinc/55/27/88/196552788.db2.gz MEKXAGCGVYGZFG-CZUORRHYSA-N 1 0 310.463 2.499 10 0 DEAERO COC(=O)c1c(NC(=O)C[C@H]([NH3+])C2CC2)sc2c1CCC2 ZINC000137374975 196574077 /nfs/dbraw/zinc/57/40/77/196574077.db2.gz XRVHNBQHXMAUTQ-JTQLQIEISA-N 1 0 308.403 2.089 10 0 DEAERO CC(C)[NH2+]C[C@@H](O)COc1ccc(F)c(Br)c1 ZINC000137534303 196576914 /nfs/dbraw/zinc/57/69/14/196576914.db2.gz XVURLFXNQVOFHX-SECBINFHSA-N 1 0 306.175 2.326 10 0 DEAERO Cc1ccc2c(CC[NH2+][C@@H](C)CS(C)(=O)=O)cn(C)c2c1 ZINC000188699551 225030600 /nfs/dbraw/zinc/03/06/00/225030600.db2.gz APOXLRRGWJTEHD-ZDUSSCGKSA-N 1 0 308.447 2.052 10 0 DEAERO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085786158 287399155 /nfs/dbraw/zinc/39/91/55/287399155.db2.gz NRENOAUGBKPQSB-QLFBSQMISA-N 1 0 302.484 2.169 10 0 DEAERO NC(=O)c1c[nH+]ccc1N1CCC(Nc2ccccc2F)CC1 ZINC000302033880 230052091 /nfs/dbraw/zinc/05/20/91/230052091.db2.gz OLCNBOGCAVRFLJ-UHFFFAOYSA-N 1 0 314.364 2.401 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](c2c[nH]nc2N)C1 ZINC000616628480 422515870 /nfs/dbraw/zinc/51/58/70/422515870.db2.gz LTQSCPNHHFAUSY-GFCCVEGCSA-N 1 0 323.441 2.086 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000049723599 424836898 /nfs/dbraw/zinc/83/68/98/424836898.db2.gz NNPQFBLPQUQLEM-ZDUSSCGKSA-N 1 0 305.422 2.414 10 0 DEAERO COCC[NH2+]CC(=O)Nc1ccccc1OCc1ccccc1 ZINC000066224545 424840714 /nfs/dbraw/zinc/84/07/14/424840714.db2.gz KRSYCKLOZZMUOD-UHFFFAOYSA-N 1 0 314.385 2.440 10 0 DEAERO CC(C)([NH3+])c1cn(Cc2cc(F)ccc2Br)nn1 ZINC000070118104 424841983 /nfs/dbraw/zinc/84/19/83/424841983.db2.gz XBYLERAHZBNJSF-UHFFFAOYSA-N 1 0 313.174 2.422 10 0 DEAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876282 424849278 /nfs/dbraw/zinc/84/92/78/424849278.db2.gz SHIGFVAOIGEGMK-CABCVRRESA-N 1 0 320.481 2.368 10 0 DEAERO C[C@@]1(CNC(=O)C2CC(=O)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000153798894 424859831 /nfs/dbraw/zinc/85/98/31/424859831.db2.gz UGQXRRIWGVWDAN-SFHVURJKSA-N 1 0 300.402 2.136 10 0 DEAERO Cc1nc(NCC[N@H+]2CC=C(C)CC2)cc(C(F)(F)F)n1 ZINC000546581330 424865009 /nfs/dbraw/zinc/86/50/09/424865009.db2.gz PTHLPZORWYMQPL-UHFFFAOYSA-N 1 0 300.328 2.868 10 0 DEAERO CCN(C)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404135619 424924975 /nfs/dbraw/zinc/92/49/75/424924975.db2.gz CAAIDBPEIHKCRS-IAGOWNOFSA-N 1 0 317.433 2.033 10 0 DEAERO CC(C)O[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000404487758 424928085 /nfs/dbraw/zinc/92/80/85/424928085.db2.gz ODNDTBIJZYEMJO-ROUUACIJSA-N 1 0 307.434 2.454 10 0 DEAERO Brc1csnc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000404907562 424929635 /nfs/dbraw/zinc/92/96/35/424929635.db2.gz SIRJOEQXAYTUIS-ZCFIWIBFSA-N 1 0 301.169 2.380 10 0 DEAERO O[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3Cl)CC[N@@H+]2C1 ZINC000405239587 424930462 /nfs/dbraw/zinc/93/04/62/424930462.db2.gz AIKCFTXALXDIRP-NWDGAFQWSA-N 1 0 301.217 2.244 10 0 DEAERO C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249576153 424887484 /nfs/dbraw/zinc/88/74/84/424887484.db2.gz POFAUUGAXDEKJN-KBMXLJTQSA-N 1 0 322.474 2.157 10 0 DEAERO Cc1ccsc1CNC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249564556 424887781 /nfs/dbraw/zinc/88/77/81/424887781.db2.gz MSGDHNHHYRWZFN-WBMJQRKESA-N 1 0 310.463 2.156 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1ccc(Br)cc1 ZINC000310742808 424895392 /nfs/dbraw/zinc/89/53/92/424895392.db2.gz BAUXAHVLFVGKGM-CYBMUJFWSA-N 1 0 313.239 2.481 10 0 DEAERO CN(CC[NH+]1CCCC1)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000563345276 424897982 /nfs/dbraw/zinc/89/79/82/424897982.db2.gz QMQAHNUHMWXOPP-UHFFFAOYSA-N 1 0 320.437 3.066 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccccc2F)[C@H](C)C1 ZINC000081096639 267379163 /nfs/dbraw/zinc/37/91/63/267379163.db2.gz NWTUEODVQXLOIN-RHSMWYFYSA-N 1 0 321.440 2.104 10 0 DEAERO C[NH+]1CCC(CNC(=O)CCC(=O)c2ccc(F)c(F)c2)CC1 ZINC000087238840 267393840 /nfs/dbraw/zinc/39/38/40/267393840.db2.gz SJGCRNWDJBKDJP-UHFFFAOYSA-N 1 0 324.371 2.386 10 0 DEAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)s1 ZINC000653123393 425410055 /nfs/dbraw/zinc/41/00/55/425410055.db2.gz XIEVCETUUKUUAU-DJLDLDEBSA-N 1 0 307.341 2.027 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C)on3)cc2)CC1 ZINC000175070976 267514154 /nfs/dbraw/zinc/51/41/54/267514154.db2.gz VOYKLXIFULQTNS-UHFFFAOYSA-N 1 0 314.389 2.377 10 0 DEAERO OCC1CC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000663375088 425833107 /nfs/dbraw/zinc/83/31/07/425833107.db2.gz SGPZYUOGOYFEDC-QEWOUOOISA-N 1 0 320.216 2.094 10 0 DEAERO COc1ncc(Cl)c(N2CCc3ccccc3[C@H]2C[NH3+])n1 ZINC000227724339 268578223 /nfs/dbraw/zinc/57/82/23/268578223.db2.gz IUFVXPGPSHEMTA-CYBMUJFWSA-N 1 0 304.781 2.201 10 0 DEAERO Cn1ccc(CC[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000230881106 268581410 /nfs/dbraw/zinc/58/14/10/268581410.db2.gz XLSSJWGYPVOLDZ-AWEZNQCLSA-N 1 0 322.453 2.199 10 0 DEAERO [NH3+]C[C@H]1CN(Cc2ccc(Br)c(F)c2)CCCO1 ZINC000313341705 268841208 /nfs/dbraw/zinc/84/12/08/268841208.db2.gz FSTOPFPBXGDYOA-NSHDSACASA-N 1 0 317.202 2.138 10 0 DEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C12CCC2 ZINC000329225379 268852870 /nfs/dbraw/zinc/85/28/70/268852870.db2.gz DAUGVGSVNZJHDJ-YQFWSFKMSA-N 1 0 316.449 2.239 10 0 DEAERO C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000333456156 268948648 /nfs/dbraw/zinc/94/86/48/268948648.db2.gz OQYGNZVXYRDARK-SHFYGJNESA-N 1 0 304.438 2.156 10 0 DEAERO Fc1cccc2c1SCC[C@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333657986 268972059 /nfs/dbraw/zinc/97/20/59/268972059.db2.gz ASSUIEGDIXHNDZ-ZWNOBZJWSA-N 1 0 319.409 2.344 10 0 DEAERO CC(C)[C@@H]1N(C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@]12CCCO2 ZINC000333797424 268992917 /nfs/dbraw/zinc/99/29/17/268992917.db2.gz HESRZWXHYMFKFK-XYJFISCASA-N 1 0 323.481 2.493 10 0 DEAERO CC(C)[C@@H]1N(C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@@]12CCCO2 ZINC000333797421 268992981 /nfs/dbraw/zinc/99/29/81/268992981.db2.gz HESRZWXHYMFKFK-BQFCYCMXSA-N 1 0 323.481 2.493 10 0 DEAERO [NH3+]C[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000333819479 268994662 /nfs/dbraw/zinc/99/46/62/268994662.db2.gz QVRAMJUIUILMQF-COPLHBTASA-N 1 0 311.788 2.468 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H]3CCc4ccccc4C3)C[C@H]21 ZINC000333860330 268997954 /nfs/dbraw/zinc/99/79/54/268997954.db2.gz ZEBGQFSWCXCLFG-XMTFNYHQSA-N 1 0 313.445 2.313 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC(c2nccs2)CC1 ZINC000333888963 269000929 /nfs/dbraw/zinc/00/09/29/269000929.db2.gz XTXSLGBASMCVSK-ZDUSSCGKSA-N 1 0 308.451 2.174 10 0 DEAERO CC(C)(C)[C@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000333898980 269001951 /nfs/dbraw/zinc/00/19/51/269001951.db2.gz ZMZLXVCEGPLDOY-UONOGXRCSA-N 1 0 309.454 2.118 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000396751503 269104161 /nfs/dbraw/zinc/10/41/61/269104161.db2.gz SZEDCMDLGGHRLN-SNVBAGLBSA-N 1 0 313.195 2.271 10 0 DEAERO CC(C)[C@@H](C)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397637035 269106490 /nfs/dbraw/zinc/10/64/90/269106490.db2.gz QNAGKNSBMOBPGR-MRXNPFEDSA-N 1 0 318.461 2.422 10 0 DEAERO C[C@H]([NH2+]CCc1cncn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000401665576 269112763 /nfs/dbraw/zinc/11/27/63/269112763.db2.gz HCSFTDJSTUCGIS-KBPBESRZSA-N 1 0 322.453 2.198 10 0 DEAERO CC[NH+]1CCC(CNC(=O)N2CCC(c3ncc[nH]3)CC2)CC1 ZINC000519563743 269419127 /nfs/dbraw/zinc/41/91/27/269419127.db2.gz XXFAYDASTNFELX-UHFFFAOYSA-N 1 0 319.453 2.031 10 0 DEAERO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128362316 274113779 /nfs/dbraw/zinc/11/37/79/274113779.db2.gz SWKUSIMPZAFGBJ-RDTXWAMCSA-N 1 0 318.417 2.261 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CCCn2ncnc21 ZINC000247153859 274355621 /nfs/dbraw/zinc/35/56/21/274355621.db2.gz RROUWWHHGHNCRJ-DJIMGWMZSA-N 1 0 311.433 2.223 10 0 DEAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000408381675 274395634 /nfs/dbraw/zinc/39/56/34/274395634.db2.gz MXSJDABIPYHQCH-CXHZTBPHSA-N 1 0 316.445 2.414 10 0 DEAERO C[C@H]([NH2+]Cc1ccccc1-n1cccn1)C(C)(C)n1cncn1 ZINC000375059774 274516610 /nfs/dbraw/zinc/51/66/10/274516610.db2.gz SDJNYWVRJLUEBO-AWEZNQCLSA-N 1 0 310.405 2.377 10 0 DEAERO Cc1cc(C)n(-c2nc(C)c(C)c(NC3CC[NH2+]CC3)n2)n1 ZINC000045947300 274691952 /nfs/dbraw/zinc/69/19/52/274691952.db2.gz NMWYXBMZRKLXFN-UHFFFAOYSA-N 1 0 300.410 2.060 10 0 DEAERO O=c1[nH]c2ccccc2c(=O)n1C1CC[NH+](C2CCCC2)CC1 ZINC000176449309 275042414 /nfs/dbraw/zinc/04/24/14/275042414.db2.gz WRAKTJISUQLEDK-UHFFFAOYSA-N 1 0 313.401 2.269 10 0 DEAERO CC(C)(C)c1ccc(N2CCC(NC(=O)C3C[NH2+]C3)CC2)cc1 ZINC000263330364 275536016 /nfs/dbraw/zinc/53/60/16/275536016.db2.gz UULHRXBCZVMJMM-UHFFFAOYSA-N 1 0 315.461 2.289 10 0 DEAERO CC1(C)CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC[C@@H]1[NH3+] ZINC000261802435 275840433 /nfs/dbraw/zinc/84/04/33/275840433.db2.gz IXVXUBUIKJJROV-KBPBESRZSA-N 1 0 308.809 2.229 10 0 DEAERO CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000248469077 276056004 /nfs/dbraw/zinc/05/60/04/276056004.db2.gz ULYZNCGBFXIPDW-CZUORRHYSA-N 1 0 310.463 2.495 10 0 DEAERO CC(C)c1nnc(CN2CCC[C@H]([NH+]3CCCC3)CC2)n1C ZINC000157086350 276073903 /nfs/dbraw/zinc/07/39/03/276073903.db2.gz WEEJZBRCSPMBIK-HNNXBMFYSA-N 1 0 305.470 2.389 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1cc(F)ccc1F ZINC000175343620 276182760 /nfs/dbraw/zinc/18/27/60/276182760.db2.gz GEXOTZNUIYDQGI-ZDUSSCGKSA-N 1 0 311.376 2.319 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCOC3(CCCC3)C2)C1 ZINC000246717350 276368993 /nfs/dbraw/zinc/36/89/93/276368993.db2.gz NZAYJQGOPYQXHN-LSDHHAIUSA-N 1 0 309.454 2.262 10 0 DEAERO CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000164097768 287909248 /nfs/dbraw/zinc/90/92/48/287909248.db2.gz WSHBAQTXIOWXLH-CMPLNLGQSA-N 1 0 302.465 2.126 10 0 DEAERO CCc1nnc2ccc(N[C@@H](C)C[NH+]3CCCCCC3)nn21 ZINC000302481964 276702108 /nfs/dbraw/zinc/70/21/08/276702108.db2.gz YDXLNGYHCZMBAO-ZDUSSCGKSA-N 1 0 302.426 2.363 10 0 DEAERO CN(C(=O)c1cc(Cl)ccc1Br)C1C[NH2+]C1 ZINC000234264768 276745731 /nfs/dbraw/zinc/74/57/31/276745731.db2.gz JQINFJCSNOOTPZ-UHFFFAOYSA-N 1 0 303.587 2.146 10 0 DEAERO CC(=O)NCCC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360973648 277031785 /nfs/dbraw/zinc/03/17/85/277031785.db2.gz DURMRNJSWDJFNO-UHFFFAOYSA-N 1 0 306.406 2.258 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3COc4ccccc43)CC[C@@H]21 ZINC000137983857 277066469 /nfs/dbraw/zinc/06/64/69/277066469.db2.gz KHJUYMLYQPQAEL-BMFZPTHFSA-N 1 0 315.417 2.246 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2C[C@@]23CCc2ccccc23)n1 ZINC000263221638 277116515 /nfs/dbraw/zinc/11/65/15/277116515.db2.gz LXSXRUDPQYCDAJ-HDMKZQKVSA-N 1 0 310.401 2.017 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)[C@H]1c1ccccc1 ZINC000248045301 277168792 /nfs/dbraw/zinc/16/87/92/277168792.db2.gz MVDGVHWKKSTESJ-JCGIZDLHSA-N 1 0 324.428 2.391 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 ZINC000237142827 277263149 /nfs/dbraw/zinc/26/31/49/277263149.db2.gz NSJISQQEOLZICZ-UHFFFAOYSA-N 1 0 304.438 2.340 10 0 DEAERO CC(C)(CNC(=O)N1CC[C@H]2OCCC[C@H]2C1)[NH+]1CCCCC1 ZINC000132807939 277300848 /nfs/dbraw/zinc/30/08/48/277300848.db2.gz RVHVAIIUTSRLRR-JKSUJKDBSA-N 1 0 323.481 2.461 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000495063357 278021435 /nfs/dbraw/zinc/02/14/35/278021435.db2.gz WVYBTVNWOSQGBP-UTUOFQBUSA-N 1 0 301.381 2.489 10 0 DEAERO COc1cccc2c1OCC(C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])=C2 ZINC000261807634 278038737 /nfs/dbraw/zinc/03/87/37/278038737.db2.gz NBUINCHSFFASLQ-IUODEOHRSA-N 1 0 316.401 2.057 10 0 DEAERO CC(=O)N1CC[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)c2ccccc2C1 ZINC000423481288 278052538 /nfs/dbraw/zinc/05/25/38/278052538.db2.gz NZELBEIEUOTMPC-HZPDHXFCSA-N 1 0 323.387 2.067 10 0 DEAERO C[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)CS(C)(=O)=O ZINC000368269124 278188952 /nfs/dbraw/zinc/18/89/52/278188952.db2.gz FDWBLXGISSKIAZ-QXSJWSMHSA-N 1 0 317.495 2.073 10 0 DEAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000246641207 278189864 /nfs/dbraw/zinc/18/98/64/278189864.db2.gz ULTAHWAQDVDHET-MCIONIFRSA-N 1 0 304.438 2.066 10 0 DEAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000246769009 278670012 /nfs/dbraw/zinc/67/00/12/278670012.db2.gz BFKCROYOWKMYDY-ARFHVFGLSA-N 1 0 308.466 2.427 10 0 DEAERO CCN(C(C)=O)c1nc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)cs1 ZINC000246025729 279014035 /nfs/dbraw/zinc/01/40/35/279014035.db2.gz VMEMNSRNJDIBAZ-DZGCQCFKSA-N 1 0 322.478 2.042 10 0 DEAERO Cc1cnn([C@H]2CCC[N@H+](C[C@H]3CC4(CCC4)C(=O)O3)C2)c1 ZINC000248894754 279035237 /nfs/dbraw/zinc/03/52/37/279035237.db2.gz TUVUVKUGGOHVBU-LSDHHAIUSA-N 1 0 303.406 2.314 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2snnc2C(C)(C)C)C1 ZINC000189459996 279036321 /nfs/dbraw/zinc/03/63/21/279036321.db2.gz BVWXXWOTPBYZJF-NSHDSACASA-N 1 0 310.467 2.249 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177413153 279123866 /nfs/dbraw/zinc/12/38/66/279123866.db2.gz ZQJAFDAVLVCHLC-HZPDHXFCSA-N 1 0 321.469 2.033 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000185801000 279166555 /nfs/dbraw/zinc/16/65/55/279166555.db2.gz YHYRSADGZQJXTK-JKSUJKDBSA-N 1 0 313.486 2.299 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000261544201 279238031 /nfs/dbraw/zinc/23/80/31/279238031.db2.gz IOTWFWFTCLDYSW-DOTOQJQBSA-N 1 0 303.450 2.237 10 0 DEAERO CC(C)N(C(=O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C)c1ccccc1 ZINC000103285660 279284213 /nfs/dbraw/zinc/28/42/13/279284213.db2.gz BDBLCQJTTTWTOG-GJZGRUSLSA-N 1 0 317.433 2.014 10 0 DEAERO CC(C)[C@@H]1C[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000185535886 280026657 /nfs/dbraw/zinc/02/66/57/280026657.db2.gz ZRTGONQZFUVGKD-IRXDYDNUSA-N 1 0 321.509 2.345 10 0 DEAERO O=C1[C@@H](N2CC[N@@H+]3CCC[C@@H]3C2)CCCN1c1cccc(F)c1 ZINC000172290275 280313843 /nfs/dbraw/zinc/31/38/43/280313843.db2.gz OEGINSPNMGSFHZ-SJORKVTESA-N 1 0 317.408 2.101 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000130357484 280845981 /nfs/dbraw/zinc/84/59/81/280845981.db2.gz PDSDHUKOGDZDJY-ZDUSSCGKSA-N 1 0 302.827 2.054 10 0 DEAERO CC1(C)CN(C(=O)[C@@H]2C[C@@]23CCOc2ccccc23)CC[C@H]1[NH3+] ZINC000261774938 281202844 /nfs/dbraw/zinc/20/28/44/281202844.db2.gz GYLPWAXCLRUWKY-ZSZQSSIHSA-N 1 0 314.429 2.313 10 0 DEAERO CCc1cnc(CCNC(=O)N[C@H](C)C[NH+]2CCCCC2)s1 ZINC000073664322 281545121 /nfs/dbraw/zinc/54/51/21/281545121.db2.gz SXFKERCHTUXGSW-CYBMUJFWSA-N 1 0 324.494 2.422 10 0 DEAERO COc1cccc(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000079122044 281586834 /nfs/dbraw/zinc/58/68/34/281586834.db2.gz QYSVYFRUOGNEKZ-HNNXBMFYSA-N 1 0 307.438 2.471 10 0 DEAERO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000246915093 282000257 /nfs/dbraw/zinc/00/02/57/282000257.db2.gz GFYKTKVHSZTWRA-HIFRSBDPSA-N 1 0 306.454 2.349 10 0 DEAERO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000471902388 289004429 /nfs/dbraw/zinc/00/44/29/289004429.db2.gz YUHDLSACIYXIJP-CKYFFXLPSA-N 1 0 305.344 2.205 10 0 DEAERO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114493974 289331722 /nfs/dbraw/zinc/33/17/22/289331722.db2.gz NPMPMWKOXITLPO-DYVFJYSZSA-N 1 0 305.422 2.185 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NCC(F)(F)F)[C@H]1c1ccccc1 ZINC000245704088 290139533 /nfs/dbraw/zinc/13/95/33/290139533.db2.gz ZYYLYNZRXBDYOB-VXGBXAGGSA-N 1 0 301.312 2.293 10 0 DEAERO CO[C@@](C)(C(=O)N1CCC([NH+](C)C)CC1)c1ccccc1F ZINC000192083339 294043199 /nfs/dbraw/zinc/04/31/99/294043199.db2.gz DRHHLKPSYCKDFL-QGZVFWFLSA-N 1 0 308.397 2.240 10 0 DEAERO Cn1cc([C@H]2CCC[N@@H+]2CC2CCC3(CC2)OCCO3)cn1 ZINC000190215048 294297302 /nfs/dbraw/zinc/29/73/02/294297302.db2.gz FCDXHUKANNYAMY-MRXNPFEDSA-N 1 0 305.422 2.490 10 0 DEAERO COc1ccc(C[C@H](C)NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000246727572 295140165 /nfs/dbraw/zinc/14/01/65/295140165.db2.gz YCNKPUSQXDCDGK-AEGPPILISA-N 1 0 320.433 2.269 10 0 DEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000423684085 297799190 /nfs/dbraw/zinc/79/91/90/297799190.db2.gz ULWUOBMDUHLKFE-IUODEOHRSA-N 1 0 322.836 2.336 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)c(Cl)cc1F ZINC000236624514 301398405 /nfs/dbraw/zinc/39/84/05/301398405.db2.gz KVFNTXRHDGRSJQ-SNVBAGLBSA-N 1 0 322.833 2.439 10 0 DEAERO CC(=O)c1cccc(CNC(=O)c2ccc(C[NH+](C)C)nc2)c1 ZINC000574461867 326157243 /nfs/dbraw/zinc/15/72/43/326157243.db2.gz BYJUXNDXKGGMMX-UHFFFAOYSA-N 1 0 311.385 2.276 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Br)cn1 ZINC000576522200 326299716 /nfs/dbraw/zinc/29/97/16/326299716.db2.gz ZJINVSOUQMDPLA-GXSJLCMTSA-N 1 0 312.211 2.116 10 0 DEAERO C[C@@H](NC(=O)Nc1nncs1)[C@H](c1ccccc1)[NH+](C)C ZINC000185941389 332274989 /nfs/dbraw/zinc/27/49/89/332274989.db2.gz BNKOWGYJZCOASR-ZYHUDNBSSA-N 1 0 305.407 2.351 10 0 DEAERO COC[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000188104827 333031632 /nfs/dbraw/zinc/03/16/32/333031632.db2.gz DREWEGQAUMTRPK-DOTOQJQBSA-N 1 0 304.434 2.092 10 0 DEAERO Cc1nc(CC(C)C)oc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000190270614 336262020 /nfs/dbraw/zinc/26/20/20/336262020.db2.gz MGOVYZWQUCZJIG-AWEZNQCLSA-N 1 0 305.422 2.492 10 0 DEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccsc1Br ZINC000392998024 337082163 /nfs/dbraw/zinc/08/21/63/337082163.db2.gz QLNVRHHJDOURDR-CBAPKCEASA-N 1 0 303.225 2.267 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000584585415 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CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)Cc2c(C)noc2C)C1 ZINC000157384832 521621515 /nfs/dbraw/zinc/62/15/15/521621515.db2.gz ZNJKXQOPSYAUFR-SMDDNHRTSA-N 1 0 308.426 2.006 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](COC)c2ccc(C)o2)C1 ZINC000245426914 521645947 /nfs/dbraw/zinc/64/59/47/521645947.db2.gz GRMUDMKGIXDGEZ-UONOGXRCSA-N 1 0 309.410 2.059 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)NC(=O)CC2CCCCC2)C1 ZINC000249866784 521647214 /nfs/dbraw/zinc/64/72/14/521647214.db2.gz IDTMJJLBBUEYRK-HOCLYGCPSA-N 1 0 323.481 2.062 10 0 DEAERO Cn1nccc1CCC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000128862316 521752153 /nfs/dbraw/zinc/75/21/53/521752153.db2.gz DFMDRMDSEUEQEV-UHFFFAOYSA-N 1 0 320.462 2.005 10 0 DEAERO COc1cc(/C=C/C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc(OC)c1 ZINC000156827963 521926099 /nfs/dbraw/zinc/92/60/99/521926099.db2.gz MYJFPQUOCVESBH-GQLSZILQSA-N 1 0 318.417 2.303 10 0 DEAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000237090110 522085133 /nfs/dbraw/zinc/08/51/33/522085133.db2.gz KGKJWHFWJUMHQP-CQSZACIVSA-N 1 0 318.442 2.460 10 0 DEAERO COC1CCC([NH2+][C@H](c2nccn2C)C2CCOCC2)CC1 ZINC000336912326 522692335 /nfs/dbraw/zinc/69/23/35/522692335.db2.gz JFTTYPATLZLNLW-GPANFISMSA-N 1 0 307.438 2.435 10 0 DEAERO CCc1noc(CC)c1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237082895 522890755 /nfs/dbraw/zinc/89/07/55/522890755.db2.gz NHLVYZOOKZDOKP-CQDKDKBSSA-N 1 0 305.422 2.336 10 0 DEAERO CCc1noc([C@@H](C)N2CC[NH+](CCCCCOC)CC2)n1 ZINC000105916401 522903884 /nfs/dbraw/zinc/90/38/84/522903884.db2.gz CXKBFKUFFKBGFJ-CQSZACIVSA-N 1 0 310.442 2.127 10 0 DEAERO O=C(C[C@@H]1CCCCC(=O)N1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328675169 534684548 /nfs/dbraw/zinc/68/45/48/534684548.db2.gz QOFLDWQQLFBQFK-LSDHHAIUSA-N 1 0 307.438 2.362 10 0 DEAERO Cn1c2ccc(C[NH2+][C@H]3CCCC[C@H]3CO)cc2sc1=O ZINC000328893081 534709771 /nfs/dbraw/zinc/70/97/71/534709771.db2.gz UGDFMXFAAOCXAF-STQMWFEESA-N 1 0 306.431 2.241 10 0 DEAERO CC[C@@H]1CN([C@H](C)c2nc(C(C)(C)C)no2)CC[N@@H+]1C[C@H](C)O ZINC000247210107 523467617 /nfs/dbraw/zinc/46/76/17/523467617.db2.gz PTGYPOXFTRVPPX-BFHYXJOUSA-N 1 0 324.469 2.205 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000163420873 523829695 /nfs/dbraw/zinc/82/96/95/523829695.db2.gz UJRWBTRGDKFIAA-HUUCEWRRSA-N 1 0 322.449 2.465 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C1CCC(C)CC1 ZINC000111865831 523831404 /nfs/dbraw/zinc/83/14/04/523831404.db2.gz NMTCFVFXPSNUFQ-GPANFISMSA-N 1 0 311.470 2.317 10 0 DEAERO COc1ccc(CC2CCN(C(=O)C[NH2+]CC3CC3)CC2)cc1 ZINC000154878300 523913899 /nfs/dbraw/zinc/91/38/99/523913899.db2.gz MVZCAAXLIZVMLX-UHFFFAOYSA-N 1 0 316.445 2.476 10 0 DEAERO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(OC)c1 ZINC000128445555 524028141 /nfs/dbraw/zinc/02/81/41/524028141.db2.gz JTGIYFADLADUBV-CQSZACIVSA-N 1 0 316.405 2.208 10 0 DEAERO COCCOc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000128526003 524044268 /nfs/dbraw/zinc/04/42/68/524044268.db2.gz LEZNDQOIBYGPNH-MRXNPFEDSA-N 1 0 315.417 2.435 10 0 DEAERO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000247444200 524309463 /nfs/dbraw/zinc/30/94/63/524309463.db2.gz XTBSGFPNUINFJP-JIMOISOXSA-N 1 0 311.223 2.358 10 0 DEAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000450663233 534789553 /nfs/dbraw/zinc/78/95/53/534789553.db2.gz RONPLPQGVDDKLP-RNCFNFMXSA-N 1 0 300.196 2.440 10 0 DEAERO COc1ccccc1OCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105884350 524675072 /nfs/dbraw/zinc/67/50/72/524675072.db2.gz UOGWGNYVWNUIAS-OAHLLOKOSA-N 1 0 316.405 2.078 10 0 DEAERO Cc1cc(F)ccc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000157228669 524964679 /nfs/dbraw/zinc/96/46/79/524964679.db2.gz KVTRKENVCXUZMG-CQSZACIVSA-N 1 0 322.424 2.299 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C)on2)cc1F ZINC000102699187 525147038 /nfs/dbraw/zinc/14/70/38/525147038.db2.gz IGDXQLWSVJRLLT-SNVBAGLBSA-N 1 0 307.325 2.420 10 0 DEAERO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H](c2cccs2)C2CC2)C1 ZINC000338288869 525183909 /nfs/dbraw/zinc/18/39/09/525183909.db2.gz QTPMEHSGYPTCTC-RISCZKNCSA-N 1 0 314.476 2.070 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)CSCc2ccncc2)CC[N@@H+]1C ZINC000127503989 525245164 /nfs/dbraw/zinc/24/51/64/525245164.db2.gz YZHTWVFGSRGBKW-HIFRSBDPSA-N 1 0 307.463 2.256 10 0 DEAERO Cc1ccnc(C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000363819179 525641503 /nfs/dbraw/zinc/64/15/03/525641503.db2.gz HGBZOIBDRWOTBM-HNNXBMFYSA-N 1 0 304.438 2.077 10 0 DEAERO COc1cccc(CO[C@H](C)C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1 ZINC000155567183 526057562 /nfs/dbraw/zinc/05/75/62/526057562.db2.gz AWOZUKZYEJMTDL-SOUVJXGZSA-N 1 0 320.433 2.151 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262673639 534911782 /nfs/dbraw/zinc/91/17/82/534911782.db2.gz QHRPVZPCJDLJNL-GOOCMWNKSA-N 1 0 304.438 2.076 10 0 DEAERO CC(C)(C)c1ccc(OCC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000262582538 526784089 /nfs/dbraw/zinc/78/40/89/526784089.db2.gz QCYBTBNIIKYWPA-CQSZACIVSA-N 1 0 304.434 2.479 10 0 DEAERO Cc1nc(CN2CC[NH+](C[C@H](C)Cc3ccccc3)CC2)no1 ZINC000132334030 526866164 /nfs/dbraw/zinc/86/61/64/526866164.db2.gz OOULFTBMDIGMJN-OAHLLOKOSA-N 1 0 314.433 2.374 10 0 DEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000238051278 527406765 /nfs/dbraw/zinc/40/67/65/527406765.db2.gz NCUIQDQLDFGRLK-STQMWFEESA-N 1 0 301.390 2.269 10 0 DEAERO CC(C)C(=O)N1CCC[C@@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000194774448 527474737 /nfs/dbraw/zinc/47/47/37/527474737.db2.gz BJWJANBCTZQIOO-OAHLLOKOSA-N 1 0 323.481 2.013 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)N(C)CC1CC1 ZINC000157688430 527587278 /nfs/dbraw/zinc/58/72/78/527587278.db2.gz CFCGUPGQDBOIMV-LBPRGKRZSA-N 1 0 306.454 2.466 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000192319097 527818639 /nfs/dbraw/zinc/81/86/39/527818639.db2.gz ZNZJXWWYDQLPLQ-KGLIPLIRSA-N 1 0 312.454 2.297 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000262587012 535042811 /nfs/dbraw/zinc/04/28/11/535042811.db2.gz ZVLUSPSITUUGJE-CGSPGFDNSA-N 1 0 306.450 2.168 10 0 DEAERO CCCCn1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(C)n1 ZINC000248571894 535141251 /nfs/dbraw/zinc/14/12/51/535141251.db2.gz MPKLHNZKYIKBON-HIFRSBDPSA-N 1 0 304.438 2.300 10 0 DEAERO CC(C)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261852097 535242811 /nfs/dbraw/zinc/24/28/11/535242811.db2.gz BGCZVCUDODFVNU-VVLHAWIVSA-N 1 0 318.465 2.054 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H](C)CNc2ccccc2)CC1 ZINC000358661094 535243672 /nfs/dbraw/zinc/24/36/72/535243672.db2.gz HKSUZWOUHQHFQV-MRXNPFEDSA-N 1 0 316.449 2.438 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000358631039 535244089 /nfs/dbraw/zinc/24/40/89/535244089.db2.gz BUKSHEYCOQEXHL-HNNXBMFYSA-N 1 0 317.433 2.274 10 0 DEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000261626147 535297226 /nfs/dbraw/zinc/29/72/26/535297226.db2.gz COGZLPYIMPJXOD-OAHLLOKOSA-N 1 0 313.405 2.043 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)Cc2ccc(O)c(F)c2)CC1 ZINC000449947678 535446643 /nfs/dbraw/zinc/44/66/43/535446643.db2.gz IIISLZGROQDKJL-UHFFFAOYSA-N 1 0 308.397 2.312 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)C[NH+](CC)CC)[C@@H]1Oc1ccccc1 ZINC000251665868 535462110 /nfs/dbraw/zinc/46/21/10/535462110.db2.gz LJKQOYKOZGJYBD-JZXOWHBKSA-N 1 0 320.433 2.069 10 0 DEAERO CCCc1nc(C)c(-c2nc([C@H]3C[NH2+]CCN3C)no2)s1 ZINC000263218320 535485678 /nfs/dbraw/zinc/48/56/78/535485678.db2.gz LIGPWFOKGHXJSY-SNVBAGLBSA-N 1 0 307.423 2.030 10 0 DEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccnc3ccncc32)C1(C)C ZINC000262822939 535536246 /nfs/dbraw/zinc/53/62/46/535536246.db2.gz YWOFMEZFPZSHRF-PBHICJAKSA-N 1 0 314.389 2.101 10 0 DEAERO CCCc1noc(CCCC(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)n1 ZINC000186546394 535555706 /nfs/dbraw/zinc/55/57/06/535555706.db2.gz IDXJIMHSYUVPLG-CYBMUJFWSA-N 1 0 320.437 2.088 10 0 DEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(C)cc(C(=O)OC)c2)CC1 ZINC000457869959 535564518 /nfs/dbraw/zinc/56/45/18/535564518.db2.gz IYQFYZHWWMXIFL-CQSZACIVSA-N 1 0 318.417 2.338 10 0 DEAERO CCOCC[N@@H+]1CCN([C@@H](CC(C)C)C(=O)OCC)C[C@H]1C ZINC000248418083 535606937 /nfs/dbraw/zinc/60/69/37/535606937.db2.gz KAMJNNCFEHPMCY-CVEARBPZSA-N 1 0 314.470 2.007 10 0 DEAERO CCS(=O)(=O)CCCCCN1CCC([NH+]2CCCC2)CC1 ZINC000190394221 535616896 /nfs/dbraw/zinc/61/68/96/535616896.db2.gz FWOSGMJKJYGQQV-UHFFFAOYSA-N 1 0 316.511 2.152 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2snnc2C(C)(C)C)C1 ZINC000189156659 535664265 /nfs/dbraw/zinc/66/42/65/535664265.db2.gz CUFUSDUIQKKLMP-LLVKDONJSA-N 1 0 310.467 2.392 10 0 DEAERO CCN(C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248123517 535665892 /nfs/dbraw/zinc/66/58/92/535665892.db2.gz NRGKNRAKKCAELU-WMZOPIPTSA-N 1 0 315.461 2.456 10 0 DEAERO CC[C@@H](CC(=O)Nc1nc(C2CC[NH2+]CC2)nn1C)C(C)C ZINC000262356369 535730552 /nfs/dbraw/zinc/73/05/52/535730552.db2.gz JLZUCLRIKDGLSN-LBPRGKRZSA-N 1 0 307.442 2.293 10 0 DEAERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cccc2c1NCC2 ZINC000261928382 535745949 /nfs/dbraw/zinc/74/59/49/535745949.db2.gz LFPSXPZQGRSACG-CVEARBPZSA-N 1 0 318.417 2.197 10 0 DEAERO CCc1cccc(CC)c1NC(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261606897 535881093 /nfs/dbraw/zinc/88/10/93/535881093.db2.gz BFWZEYOULXGRDG-SFHVURJKSA-N 1 0 303.450 2.421 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2ncc(-c3cccc(F)c3)o2)CCO1 ZINC000175205433 535947748 /nfs/dbraw/zinc/94/77/48/535947748.db2.gz BKUVRQXBMKWUAF-OAHLLOKOSA-N 1 0 319.380 2.243 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000246846853 536168219 /nfs/dbraw/zinc/16/82/19/536168219.db2.gz CBNJVXXRPHQRDG-STQMWFEESA-N 1 0 304.438 2.406 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000247068484 536169314 /nfs/dbraw/zinc/16/93/14/536169314.db2.gz YBCBJZKHJHVCKC-KBPBESRZSA-N 1 0 302.374 2.114 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc(-c2cc(N3CCCC3=O)ccc2F)n1 ZINC000261759287 536346304 /nfs/dbraw/zinc/34/63/04/536346304.db2.gz MGJQBGGWWMPSAI-JTQLQIEISA-N 1 0 318.352 2.153 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc(C2CCN(c3nc(C)cs3)CC2)n1 ZINC000261761118 536348405 /nfs/dbraw/zinc/34/84/05/536348405.db2.gz MIOBTOBUXDFKJU-JTQLQIEISA-N 1 0 321.450 2.369 10 0 DEAERO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000458164626 536382546 /nfs/dbraw/zinc/38/25/46/536382546.db2.gz KJGYVGBMZCRKRQ-CQSZACIVSA-N 1 0 314.429 2.206 10 0 DEAERO C[N@@H+]1CCC[C@H]1CCN1CCO[C@H](COc2ccccc2)C1 ZINC000361981536 536389857 /nfs/dbraw/zinc/38/98/57/536389857.db2.gz BTNFZSISSOLCEP-WMZOPIPTSA-N 1 0 304.434 2.251 10 0 DEAERO C[NH2+][C@H](C)CNS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000261795789 536402808 /nfs/dbraw/zinc/40/28/08/536402808.db2.gz RFVLBIRYOYVSQM-SNVBAGLBSA-N 1 0 312.822 2.379 10 0 DEAERO COc1ccc(/C(C)=C/C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188657881 536559984 /nfs/dbraw/zinc/55/99/84/536559984.db2.gz HDQCJQUBJUIHMP-BUHFOSPRSA-N 1 0 300.402 2.405 10 0 DEAERO CO[C@H](CNC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccccc1 ZINC000358196272 536610611 /nfs/dbraw/zinc/61/06/11/536610611.db2.gz UYEMSOSJPVDQQH-QGZVFWFLSA-N 1 0 317.433 2.325 10 0 DEAERO COc1ccc(F)cc1[C@@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000358353966 536633634 /nfs/dbraw/zinc/63/36/34/536633634.db2.gz LGIJVFHAPSARQI-LLVKDONJSA-N 1 0 315.410 2.310 10 0 DEAERO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)c1ccc(F)cc1 ZINC000261914326 536645332 /nfs/dbraw/zinc/64/53/32/536645332.db2.gz JKRQAGCGVSYMDL-XWTMOSNGSA-N 1 0 322.424 2.260 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC[C@@H]1C ZINC000252059676 536737558 /nfs/dbraw/zinc/73/75/58/536737558.db2.gz ZQLJPTHFNGKEGJ-YQQAZPJKSA-N 1 0 304.434 2.390 10 0 DEAERO COCc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000192770551 536745201 /nfs/dbraw/zinc/74/52/01/536745201.db2.gz GLSHVQGAIFBXRH-UHFFFAOYSA-N 1 0 306.406 2.374 10 0 DEAERO CO[C@H]1CC[C@@H](NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000454838628 536760993 /nfs/dbraw/zinc/76/09/93/536760993.db2.gz BKPMMKIACQMIEL-PMPSAXMXSA-N 1 0 311.470 2.364 10 0 DEAERO COc1ccc(CN(C)C(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000358183126 536851558 /nfs/dbraw/zinc/85/15/58/536851558.db2.gz FFUQWAVQOJRQCQ-UHFFFAOYSA-N 1 0 317.433 2.489 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000457622343 536881979 /nfs/dbraw/zinc/88/19/79/536881979.db2.gz LRENZXYJFICFPY-CVEARBPZSA-N 1 0 318.417 2.384 10 0 DEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c(F)c1 ZINC000261933506 536897459 /nfs/dbraw/zinc/89/74/59/536897459.db2.gz LZVLFZCQKRHUGS-DJIMGWMZSA-N 1 0 308.397 2.081 10 0 DEAERO COc1ccc2c(CC(=O)N3C[C@H](C[NH3+])C[C@@H]3C)coc2c1 ZINC000261866789 536965455 /nfs/dbraw/zinc/96/54/55/536965455.db2.gz RURRZEDYYOWABL-RYUDHWBXSA-N 1 0 302.374 2.180 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000724101893 563496468 /nfs/dbraw/zinc/49/64/68/563496468.db2.gz RVRZWRHKXSIWJF-SJKOYZFVSA-N 1 0 320.437 2.466 10 0 DEAERO O=C(NC1(c2ccccc2F)CC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000299746766 563938867 /nfs/dbraw/zinc/93/88/67/563938867.db2.gz ZRAMKJRCKSXMAR-MWLCHTKSSA-N 1 0 316.298 2.329 10 0 DEAERO CC[NH2+]CC[C@H](CO)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000685963232 563961457 /nfs/dbraw/zinc/96/14/57/563961457.db2.gz JYKTVHYSZUZKNF-KFWWJZLASA-N 1 0 314.470 2.488 10 0 DEAERO O=C(CCc1c[nH]cn1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000189161163 625296748 /nfs/dbraw/zinc/29/67/48/625296748.db2.gz AUKNTQNJBOPEKO-IAGOWNOFSA-N 1 0 313.401 2.457 10 0 DEAERO C[C@]1(C[NH3+])CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000312394621 625394101 /nfs/dbraw/zinc/39/41/01/625394101.db2.gz DCWQXFDSPKWFNL-VIIAAUOXSA-N 1 0 314.838 2.311 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000236900818 625411617 /nfs/dbraw/zinc/41/16/17/625411617.db2.gz JHEJZZWONBURBW-HZPDHXFCSA-N 1 0 316.401 2.469 10 0 DEAERO CCOC[C@H](C)OC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000190763123 625486404 /nfs/dbraw/zinc/48/64/04/625486404.db2.gz ISGCDAXUKZKHLH-HNNXBMFYSA-N 1 0 320.433 2.410 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccn2Cc2ccncc2)C1 ZINC000725905660 625571851 /nfs/dbraw/zinc/57/18/51/625571851.db2.gz ORNQJUPHBGKIIM-INIZCTEOSA-N 1 0 312.417 2.003 10 0 DEAERO C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000049646045 622717943 /nfs/dbraw/zinc/71/79/43/622717943.db2.gz NGQBNSKGDCOBLK-NSHDSACASA-N 1 0 316.854 2.320 10 0 DEAERO Cc1nc(N)sc1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309694054 625600347 /nfs/dbraw/zinc/60/03/47/625600347.db2.gz DRAQEDDHVMJNPT-NSHDSACASA-N 1 0 318.446 2.284 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)/C=C\c2ccccc2)CC[N@@H+]1C ZINC000255677078 625613838 /nfs/dbraw/zinc/61/38/38/625613838.db2.gz XJRFVWBOBRTAOG-MITIMNCUSA-N 1 0 308.447 2.402 10 0 DEAERO C[C@H](C1CC1)n1nccc1NC(=O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000255131673 623563128 /nfs/dbraw/zinc/56/31/28/623563128.db2.gz MWZLRZMAWZVFGF-FVQBIDKESA-N 1 0 316.449 2.337 10 0 DEAERO O=C(/C=C\Sc1ccccc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000255207957 623874516 /nfs/dbraw/zinc/87/45/16/623874516.db2.gz KRZAMUONQHOHED-LMRWQKIVSA-N 1 0 320.458 2.255 10 0 DEAERO [NH3+]Cc1nc(CC(=O)NCCc2ccc(Cl)cc2)cs1 ZINC000071696426 624141506 /nfs/dbraw/zinc/14/15/06/624141506.db2.gz FCWIMYFOXIWFFG-UHFFFAOYSA-N 1 0 309.822 2.157 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2CC(n3cccn3)C2)C1 ZINC000891410430 624153603 /nfs/dbraw/zinc/15/36/03/624153603.db2.gz ZDLGAQPEEOVCBD-BETUJISGSA-N 1 0 306.410 2.043 10 0 DEAERO C/C=C(\C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000176064582 624606258 /nfs/dbraw/zinc/60/62/58/624606258.db2.gz UHYPDPQRMOLMEU-LZWSPWQCSA-N 1 0 315.417 2.417 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000255485876 624832366 /nfs/dbraw/zinc/83/23/66/624832366.db2.gz GVKJHAQVKAAMGJ-QPBFKRLHSA-N 1 0 316.401 2.419 10 0 DEAERO [NH3+]C1CCC(Nc2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000051693892 624889388 /nfs/dbraw/zinc/88/93/88/624889388.db2.gz XRFRLTAZVDZLBT-UHFFFAOYSA-N 1 0 304.362 2.365 10 0 DEAERO CCOCC(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000121837671 624930981 /nfs/dbraw/zinc/93/09/81/624930981.db2.gz JFBYMEZQJVYCGX-UHFFFAOYSA-N 1 0 307.390 2.493 10 0 DEAERO CCCCOc1cccc(CNC(=[NH2+])NC[C@H]2CCCO2)c1 ZINC000066243485 625056942 /nfs/dbraw/zinc/05/69/42/625056942.db2.gz MFIAKPWBVXVVAY-MRXNPFEDSA-N 1 0 305.422 2.449 10 0 DEAERO [NH2+]=C(NCCSCc1ccccc1F)NC[C@@H]1CCCO1 ZINC000066242621 625057435 /nfs/dbraw/zinc/05/74/35/625057435.db2.gz RYTQMBMCQHIVPL-ZDUSSCGKSA-N 1 0 311.426 2.142 10 0 DEAERO COC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)C1CCOCC1 ZINC000187721344 625058975 /nfs/dbraw/zinc/05/89/75/625058975.db2.gz WRPRMKDUENMUNN-CVEARBPZSA-N 1 0 313.825 2.405 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000312150230 625239249 /nfs/dbraw/zinc/23/92/49/625239249.db2.gz QIMMFEVAMJOWGQ-GGCNOCFKSA-N 1 0 314.838 2.310 10 0 DEAERO Cc1ccc(OCC(=O)N2CC[NH+]([C@@H](C)C3CC3)CC2)cc1 ZINC000074766790 625738474 /nfs/dbraw/zinc/73/84/74/625738474.db2.gz JSLWZQWYPRSSHC-HNNXBMFYSA-N 1 0 302.418 2.317 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000177163756 625867119 /nfs/dbraw/zinc/86/71/19/625867119.db2.gz YORRUKIWWLWKNG-SJORKVTESA-N 1 0 301.434 2.334 10 0 DEAERO CCCC[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000253435366 634504282 /nfs/dbraw/zinc/50/42/82/634504282.db2.gz QMUFGEHJNRIQKG-UHFFFAOYSA-N 1 0 309.841 2.378 10 0 DEAERO CC1(C)OCc2cc(C[NH2+]C[C@]3(CCO)CCOC3)ccc2O1 ZINC000186396409 634201497 /nfs/dbraw/zinc/20/14/97/634201497.db2.gz YTAHRXMGWHYOSN-SFHVURJKSA-N 1 0 321.417 2.210 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(OCc2nc(C)no2)cc1 ZINC000237015290 636245180 /nfs/dbraw/zinc/24/51/80/636245180.db2.gz KNSPRKIGQBDRTP-MEBBXXQBSA-N 1 0 318.377 2.269 10 0 DEAERO C[C@@H]1CCN(C(=O)c2coc(Br)c2)[C@H](C[NH3+])C1 ZINC000261919861 636749517 /nfs/dbraw/zinc/74/95/17/636749517.db2.gz YQTLRHCUDSBLED-SCZZXKLOSA-N 1 0 301.184 2.242 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=S)N[C@H]2CCOc3ccccc32)C1 ZINC000741479381 637985571 /nfs/dbraw/zinc/98/55/71/637985571.db2.gz KOKUZJAWMSNGPH-ZFWWWQNUSA-N 1 0 319.474 2.316 10 0 DEAERO COC(=O)/C(C)=C\CN1CC[NH+](Cc2ccccc2C)CC1 ZINC000746494702 638349026 /nfs/dbraw/zinc/34/90/26/638349026.db2.gz SAYIJNWAWRLUQN-PXNMLYILSA-N 1 0 302.418 2.232 10 0 DEAERO CCN(CCC(F)(F)F)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747557326 638450231 /nfs/dbraw/zinc/45/02/31/638450231.db2.gz NVDKULLTSJBJIN-UHFFFAOYSA-N 1 0 321.347 2.251 10 0 DEAERO CCCCCNC(=O)C1CC[NH+](C/C=C(\C)C(=O)OC)CC1 ZINC000748816316 638594990 /nfs/dbraw/zinc/59/49/90/638594990.db2.gz RFLCEGDOJAYOOO-VGOFMYFVSA-N 1 0 310.438 2.124 10 0 DEAERO CC(C)(O)C[NH+]1CCN(C(=O)C=C2CCC(C)(C)CC2)CC1 ZINC000751913398 639134966 /nfs/dbraw/zinc/13/49/66/639134966.db2.gz QLLFRRYBCPKTBH-UHFFFAOYSA-N 1 0 308.466 2.428 10 0 DEAERO COc1cc(Br)c(C[NH2+][C@H](C)[C@@H](C)O)cc1OC ZINC000342236588 639498185 /nfs/dbraw/zinc/49/81/85/639498185.db2.gz VUAHKVFYYBHIOT-RKDXNWHRSA-N 1 0 318.211 2.325 10 0 DEAERO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCO[C@H](C(F)F)C1 ZINC000801008652 645328772 /nfs/dbraw/zinc/32/87/72/645328772.db2.gz IAHYJZGCUBJLDF-CABCVRRESA-N 1 0 324.371 2.144 10 0 DEAERO C[Si](C)(C)c1ccc(C[NH2+][C@@H](CO)C2CCOCC2)cc1 ZINC000801940305 645466025 /nfs/dbraw/zinc/46/60/25/645466025.db2.gz ZOOXIMWTWAAYJS-KRWDZBQOSA-N 1 0 307.510 2.109 10 0 DEAERO COC(=O)C[C@@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000151464442 646385593 /nfs/dbraw/zinc/38/55/93/646385593.db2.gz PURFPBDKMOZUHK-UKRRQHHQSA-N 1 0 305.374 2.003 10 0 DEAERO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccoc3Br)C[C@@H]2C1 ZINC000311146513 646441291 /nfs/dbraw/zinc/44/12/91/646441291.db2.gz ZOTQCQDCZADPQU-UWVGGRQHSA-N 1 0 313.195 2.066 10 0 DEAERO CCOC1CC[NH+](Cn2cnc3c2ncnc3NC(C)C)CC1 ZINC000170902696 646674286 /nfs/dbraw/zinc/67/42/86/646674286.db2.gz BWAPVVOUMUWPHJ-UHFFFAOYSA-N 1 0 318.425 2.105 10 0 DEAERO C[C@H]([NH2+]CC1CC(O)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000229839277 646704435 /nfs/dbraw/zinc/70/44/35/646704435.db2.gz FCIZEJWLELMAGB-LQULJDIASA-N 1 0 312.454 2.383 10 0 DEAERO CSC[C@](C)(O)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000230149103 646720181 /nfs/dbraw/zinc/72/01/81/646720181.db2.gz UGRZCBGKLCKHRZ-IUODEOHRSA-N 1 0 318.483 2.090 10 0 DEAERO CC1(C)CC(=O)N(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)C1=O ZINC000172952266 646756447 /nfs/dbraw/zinc/75/64/47/646756447.db2.gz ATLLTCOPYRXIHL-AWEZNQCLSA-N 1 0 308.422 2.153 10 0 DEAERO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]CCC1CC1 ZINC000174606856 646816376 /nfs/dbraw/zinc/81/63/76/646816376.db2.gz MGDAVZYQEZVSTH-UHFFFAOYSA-N 1 0 306.454 2.270 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nc2n(c1=S)CCCCC2 ZINC000153221968 647390291 /nfs/dbraw/zinc/39/02/91/647390291.db2.gz CHXQPCNQJFBQIR-UONOGXRCSA-N 1 0 321.494 2.266 10 0 DEAERO Cc1c[nH+]ccc1N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818145905 647425228 /nfs/dbraw/zinc/42/52/28/647425228.db2.gz NXPNLXKFTSIVLJ-QGZVFWFLSA-N 1 0 314.389 2.224 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)C(F)(F)c2ccc(F)cc2)C1 ZINC000730937464 647434737 /nfs/dbraw/zinc/43/47/37/647434737.db2.gz SZXKWRVKGZKWRA-LLVKDONJSA-N 1 0 300.324 2.376 10 0 DEAERO c1cc(C[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)co1 ZINC000732232618 647553872 /nfs/dbraw/zinc/55/38/72/647553872.db2.gz MNGVIALNRRCUAP-SFHVURJKSA-N 1 0 300.402 2.313 10 0 DEAERO CCC[NH+]1CCC(NC(=O)c2cc(Cl)nc(N(C)C)c2)CC1 ZINC000733124302 647890404 /nfs/dbraw/zinc/89/04/04/647890404.db2.gz BRYHPFPIOMITIJ-UHFFFAOYSA-N 1 0 324.856 2.405 10 0 DEAERO CCCN(CC[NH+](C)C)C(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733150408 647893722 /nfs/dbraw/zinc/89/37/22/647893722.db2.gz JDWWIOVFTNVQQM-UHFFFAOYSA-N 1 0 312.845 2.215 10 0 DEAERO C[C@@H]1CN(C(=O)c2nc(Cl)ccc2Cl)C[C@H]1[NH+](C)C ZINC000089710302 647968311 /nfs/dbraw/zinc/96/83/11/647968311.db2.gz WXDFCBOFLXJFKL-PSASIEDQSA-N 1 0 302.205 2.411 10 0 DEAERO COC(=O)CCNC(=O)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154370662 647995328 /nfs/dbraw/zinc/99/53/28/647995328.db2.gz PNJSJKMHZVNWGX-ZDUSSCGKSA-N 1 0 320.433 2.314 10 0 DEAERO C[C@@H]([NH2+]CC1(CO)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000154744487 648083796 /nfs/dbraw/zinc/08/37/96/648083796.db2.gz JKTJXZKVZQMADS-KGLIPLIRSA-N 1 0 312.454 2.384 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CSCCS2)[C@H](C)C1 ZINC000155065337 648174862 /nfs/dbraw/zinc/17/48/62/648174862.db2.gz FXTOPOUMZREEFT-MCIONIFRSA-N 1 0 316.536 2.414 10 0 DEAERO C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc(Cl)s2)CC1 ZINC000175432746 648347682 /nfs/dbraw/zinc/34/76/82/648347682.db2.gz ZNUUHELPYSCNGH-NSHDSACASA-N 1 0 317.886 2.321 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H](O)c2cc3ccccc3s2)C1 ZINC000237960373 648453982 /nfs/dbraw/zinc/45/39/82/648453982.db2.gz SRYISHFZKZSXAH-YNEHKIRRSA-N 1 0 304.415 2.178 10 0 DEAERO C[C@H]([NH2+]CCCOC(=O)NC(N)=O)c1ccc(Cl)s1 ZINC000183017124 649030172 /nfs/dbraw/zinc/03/01/72/649030172.db2.gz UDEMACBEENFWCG-ZETCQYMHSA-N 1 0 305.787 2.247 10 0 DEAERO O=C(C[C@H]1COC(=O)C1)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183167832 649045063 /nfs/dbraw/zinc/04/50/63/649045063.db2.gz ANPWNIZDCKQKBH-HOTGVXAUSA-N 1 0 317.385 2.147 10 0 DEAERO COc1ccccc1C/C(C)=C/C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000106770433 651390276 /nfs/dbraw/zinc/39/02/76/651390276.db2.gz NPFCZDAZLXSIDP-GRNBYLDVSA-N 1 0 302.418 2.347 10 0 DEAERO c1ccc(OCCOCC[N@@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000110879649 652459700 /nfs/dbraw/zinc/45/97/00/652459700.db2.gz VXOFIKNDXLKNBN-KRWDZBQOSA-N 1 0 321.417 2.309 10 0 DEAERO c1ncn(Cc2ccc(C[NH2+][C@H]3CCCc4n[nH]cc43)cc2)n1 ZINC000353440684 685344233 /nfs/dbraw/zinc/34/42/33/685344233.db2.gz ZYJROVWGMMOFNE-INIZCTEOSA-N 1 0 308.389 2.217 10 0 DEAERO c1cc2c(s1)CCN(CC[NH2+][C@H]1CCCc3n[nH]cc31)C2 ZINC000353502921 685345281 /nfs/dbraw/zinc/34/52/81/685345281.db2.gz MYOCXJLBAIKANI-AWEZNQCLSA-N 1 0 302.447 2.497 10 0 DEAERO COCC[C@H](COC)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000382061951 685402834 /nfs/dbraw/zinc/40/28/34/685402834.db2.gz PVOBOCIWJXGAEV-CGTJXYLNSA-N 1 0 306.450 2.291 10 0 DEAERO CCON1CCC([NH2+]Cc2ccn(Cc3ccccc3)n2)CC1 ZINC000389940354 685436877 /nfs/dbraw/zinc/43/68/77/685436877.db2.gz MEXSMVRCJSNNQY-UHFFFAOYSA-N 1 0 314.433 2.437 10 0 DEAERO Cc1ncsc1CC[NH2+]Cc1nc(Br)c[nH]1 ZINC000391190296 685444911 /nfs/dbraw/zinc/44/49/11/685444911.db2.gz OAJRBOUGWUMJLI-UHFFFAOYSA-N 1 0 301.213 2.269 10 0 DEAERO O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000036266096 683880603 /nfs/dbraw/zinc/88/06/03/683880603.db2.gz OCXURBUWNLXSKI-INDWDQIESA-N 1 0 306.431 2.251 10 0 DEAERO O=S(=O)(/C=C/c1ccccc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000036266097 683880850 /nfs/dbraw/zinc/88/08/50/683880850.db2.gz OCXURBUWNLXSKI-JQVXPOPVSA-N 1 0 306.431 2.251 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1ccc(Br)o1 ZINC000037819843 683884935 /nfs/dbraw/zinc/88/49/35/683884935.db2.gz YVMRGZXCMJLNRB-GZMMTYOYSA-N 1 0 303.200 2.374 10 0 DEAERO Cc1ccc(OCC(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000078291142 683960280 /nfs/dbraw/zinc/96/02/80/683960280.db2.gz NRUSGABGVHGWAM-QGZVFWFLSA-N 1 0 321.417 2.274 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000084747698 684006068 /nfs/dbraw/zinc/00/60/68/684006068.db2.gz SMAXCLUWJZPTRQ-UHFFFAOYSA-N 1 0 310.463 2.258 10 0 DEAERO C[C@@H](c1cccc(F)c1)N1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000091689713 684037359 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COC(=O)c1nn(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c2ccccc21 ZINC000190192046 684398002 /nfs/dbraw/zinc/39/80/02/684398002.db2.gz GTEQGVBPCFBGQV-DOMZBBRYSA-N 1 0 317.389 2.137 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)/C=C/c1ccccc1 ZINC000193096600 684465017 /nfs/dbraw/zinc/46/50/17/684465017.db2.gz XDGQCKBDRLWABY-NRMKIYEFSA-N 1 0 308.447 2.451 10 0 DEAERO C[C@H]([NH3+])CCC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000193249248 685036495 /nfs/dbraw/zinc/03/64/95/685036495.db2.gz IZGZNXKMKMFROK-UFBFGSQYSA-N 1 0 305.205 2.270 10 0 DEAERO Cn1cc(C[N@@H+]2CCCN(c3cccc(Cl)n3)CC2)cn1 ZINC000193413397 685040074 /nfs/dbraw/zinc/04/00/74/685040074.db2.gz GCOVAZMJKWYONZ-UHFFFAOYSA-N 1 0 305.813 2.181 10 0 DEAERO C[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)N1CCc2ccccc21 ZINC000194956176 685082311 /nfs/dbraw/zinc/08/23/11/685082311.db2.gz OCDUMDKNXABZPP-JKSUJKDBSA-N 1 0 315.461 2.428 10 0 DEAERO O=C(COc1ccc2c(c1)CCC2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195094730 685086478 /nfs/dbraw/zinc/08/64/78/685086478.db2.gz 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CC(C)(C[NH2+]Cc1cccc(O)c1Cl)CS(C)(=O)=O ZINC000723882673 777200789 /nfs/dbraw/zinc/20/07/89/777200789.db2.gz LGEMJWLVXRIYJY-UHFFFAOYSA-N 1 0 305.827 2.206 10 0 DEAERO CC[C@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)[C@H]1CCCOC1 ZINC000723969533 777210955 /nfs/dbraw/zinc/21/09/55/777210955.db2.gz RLTRGCUPHGWKQS-KBPBESRZSA-N 1 0 305.484 2.385 10 0 DEAERO C[C@@](O)(C[NH2+][C@@H]1CCOC(C)(C)C1)C(F)(F)C(F)(F)F ZINC000724036297 777225794 /nfs/dbraw/zinc/22/57/94/777225794.db2.gz LSVDJQKAOYWMNQ-PSASIEDQSA-N 1 0 305.287 2.482 10 0 DEAERO CCN(CC)C[C@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724040215 777226529 /nfs/dbraw/zinc/22/65/29/777226529.db2.gz GQBFSDNMHIGCRN-UWVGGRQHSA-N 1 0 306.319 2.255 10 0 DEAERO C[C@@](O)(C[N@@H+]1CC[C@@]2(CCOC2)C1)C(F)(F)C(F)(F)F ZINC000724109850 777242220 /nfs/dbraw/zinc/24/22/20/777242220.db2.gz PQPRKSLQWITOLJ-NXEZZACHSA-N 1 0 303.271 2.047 10 0 DEAERO CC[C@H]1C[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)CCCO1 ZINC000724110312 777242601 /nfs/dbraw/zinc/24/26/01/777242601.db2.gz FSJHJZONEPKBLI-UWVGGRQHSA-N 1 0 305.287 2.436 10 0 DEAERO C[N@H+](C[C@@H]1CCCOC1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724112191 777242964 /nfs/dbraw/zinc/24/29/64/777242964.db2.gz TUADOAHNPNBFPP-UWVGGRQHSA-N 1 0 305.287 2.293 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000724966761 777546246 /nfs/dbraw/zinc/54/62/46/777546246.db2.gz RGCDTVPGUFNFHH-XJFOESAGSA-N 1 0 310.438 2.399 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c(C)csc1C ZINC000725079374 777578471 /nfs/dbraw/zinc/57/84/71/777578471.db2.gz AHNFQSPHGMUDFQ-LBPRGKRZSA-N 1 0 302.465 2.128 10 0 DEAERO CSCc1ccc(C[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000725120100 777590320 /nfs/dbraw/zinc/59/03/20/777590320.db2.gz FVNYKTURNDKPLM-UHFFFAOYSA-N 1 0 301.477 2.462 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H](C)CCCC[NH3+])c1C ZINC000722571464 778791393 /nfs/dbraw/zinc/79/13/93/778791393.db2.gz UHFYTNOMVLSACY-SECBINFHSA-N 1 0 304.481 2.469 10 0 DEAERO CN1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000721853495 780371256 /nfs/dbraw/zinc/37/12/56/780371256.db2.gz AIAKKABRMVNWIX-AWEZNQCLSA-N 1 0 311.470 2.316 10 0 DEAERO CCCC1CCC([NH2+]C[C@]2(OC)CCS(=O)(=O)C2)CC1 ZINC000721256705 780987912 /nfs/dbraw/zinc/98/79/12/780987912.db2.gz UJZCWZFHDZAFSX-YMAMQOFZSA-N 1 0 303.468 2.139 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c1C ZINC000722563690 787332673 /nfs/dbraw/zinc/33/26/73/787332673.db2.gz AUPWJNWJXJNBRW-LBPRGKRZSA-N 1 0 302.465 2.094 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1C ZINC000722594169 787334599 /nfs/dbraw/zinc/33/45/99/787334599.db2.gz RHQBPSQBBCHJTP-NWDGAFQWSA-N 1 0 302.465 2.079 10 0 DEAERO CN1C[C@@H](CC[NH2+]Cc2ccc(Br)o2)CC1=O ZINC000723551988 787344377 /nfs/dbraw/zinc/34/43/77/787344377.db2.gz KDZAJOHNLQXUSI-VIFPVBQESA-N 1 0 301.184 2.000 10 0 DEAERO CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cn1 ZINC000723832635 787345565 /nfs/dbraw/zinc/34/55/65/787345565.db2.gz OZURAZMIXSBGKY-UKRRQHHQSA-N 1 0 322.453 2.496 10 0 DEAERO C[C@@](O)(C[NH2+]C[C@@H]1CCC(C)(C)O1)C(F)(F)C(F)(F)F ZINC000724079677 787348451 /nfs/dbraw/zinc/34/84/51/787348451.db2.gz SABZCQBKGQJIDC-WCBMZHEXSA-N 1 0 305.287 2.482 10 0 DEAERO C[C@](O)(C[N@@H+]1CCCOC(C)(C)C1)C(F)(F)C(F)(F)F ZINC000724111545 787348970 /nfs/dbraw/zinc/34/89/70/787348970.db2.gz OPXDUVAHUMEKFF-JTQLQIEISA-N 1 0 305.287 2.436 10 0 DEAERO CO[C@@H]([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1CC1 ZINC000724105727 787349154 /nfs/dbraw/zinc/34/91/54/787349154.db2.gz QZBDHNXRJWBHGD-FKTZTGRPSA-N 1 0 305.287 2.338 10 0 DEAERO CC[N@H+](C[C@H]1CCCO1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724113169 787349863 /nfs/dbraw/zinc/34/98/63/787349863.db2.gz ZLDURXWIEFFQKA-ZJUUUORDSA-N 1 0 305.287 2.436 10 0 DEAERO CCO[C@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724111906 787350104 /nfs/dbraw/zinc/35/01/04/787350104.db2.gz QMRBHXUTTKELPN-VHSXEESVSA-N 1 0 305.287 2.436 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC(O)C3)C12CCC2 ZINC000724914900 787354369 /nfs/dbraw/zinc/35/43/69/787354369.db2.gz QVOVZYNKDCVFIU-DEWJTKQSSA-N 1 0 322.449 2.325 10 0 DEAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712480149 792190571 /nfs/dbraw/zinc/19/05/71/792190571.db2.gz QJBMOFSUPYDRME-CKEKPRIKSA-N 1 0 302.216 2.084 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2CC[NH2+]CCC2(C)C)s1 ZINC000712507129 792192146 /nfs/dbraw/zinc/19/21/46/792192146.db2.gz QBWZCRPVDILKRT-UHFFFAOYSA-N 1 0 302.465 2.128 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(Cc2cn(C)nc2Br)C1 ZINC000713820731 792261036 /nfs/dbraw/zinc/26/10/36/792261036.db2.gz FEWYCYZQRKGGOH-GFCCVEGCSA-N 1 0 315.259 2.099 10 0 DEAERO [NH3+]C[C@H]1C[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)CO1 ZINC000713872760 792264698 /nfs/dbraw/zinc/26/46/98/792264698.db2.gz OODCYQYBMMEWLX-CMPLNLGQSA-N 1 0 317.216 2.016 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713869222 792264825 /nfs/dbraw/zinc/26/48/25/792264825.db2.gz DZSDITIDLDKBTH-WDEREUQCSA-N 1 0 317.216 2.316 10 0 DEAERO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)CCO1 ZINC000714336187 792309010 /nfs/dbraw/zinc/30/90/10/792309010.db2.gz ACOGQOOSIOVSQZ-RDBSUJKOSA-N 1 0 303.468 2.137 10 0 DEAERO COc1ccc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1Cl ZINC000714367806 792311257 /nfs/dbraw/zinc/31/12/57/792311257.db2.gz VSJTXGPEMFPXRS-LBPRGKRZSA-N 1 0 317.838 2.406 10 0 DEAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1nccn1C ZINC000715068022 792379788 /nfs/dbraw/zinc/37/97/88/792379788.db2.gz RIGIFSUZKAHKCS-HIFPTAJRSA-N 1 0 308.426 2.374 10 0 DEAERO [NH3+]C1CC(CNC(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000715125025 792384135 /nfs/dbraw/zinc/38/41/35/792384135.db2.gz HHEWMWYLJWMFTJ-UHFFFAOYSA-N 1 0 303.189 2.226 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)[C@H](C)NC(=O)OC(C)(C)C ZINC000715120489 792385035 /nfs/dbraw/zinc/38/50/35/792385035.db2.gz BFEMYVCORLGKLZ-WOPDTQHZSA-N 1 0 302.415 2.029 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000715138920 792396271 /nfs/dbraw/zinc/39/62/71/792396271.db2.gz YOAQWCODXNVVLX-MXAVVETBSA-N 1 0 310.438 2.447 10 0 DEAERO C[C@@H](Cc1ccccc1Cl)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715161817 792401305 /nfs/dbraw/zinc/40/13/05/792401305.db2.gz VJECWVLDXLTIMW-PEXQALLHSA-N 1 0 302.752 2.227 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715390082 792446763 /nfs/dbraw/zinc/44/67/63/792446763.db2.gz SCOGBEANVNRCDJ-GWCFXTLKSA-N 1 0 314.227 2.230 10 0 DEAERO O=C(NCCC1SCCS1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715368580 792446871 /nfs/dbraw/zinc/44/68/71/792446871.db2.gz IWCMMXRGPRWXDC-BXUZGUMPSA-N 1 0 300.493 2.079 10 0 DEAERO CS(=O)(=O)C1CC([NH2+]Cc2ccc(Br)s2)C1 ZINC000716074481 792556230 /nfs/dbraw/zinc/55/62/30/792556230.db2.gz BSUCHDMBIWGOMJ-UHFFFAOYSA-N 1 0 324.265 2.176 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CCC1(C)OCCO1 ZINC000715993544 792560030 /nfs/dbraw/zinc/56/00/30/792560030.db2.gz MCBHPFKWUAWVKE-CYBMUJFWSA-N 1 0 314.426 2.129 10 0 DEAERO COC(=O)[C@@H](C)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716671321 792984414 /nfs/dbraw/zinc/98/44/14/792984414.db2.gz GBBQVQFETGPTQK-IWCQGFGOSA-N 1 0 302.418 2.191 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](O)C(F)F ZINC000716751133 793004643 /nfs/dbraw/zinc/00/46/43/793004643.db2.gz DMKRYZQCFFOZOQ-SDDRHHMPSA-N 1 0 322.396 2.286 10 0 DEAERO O=C1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CN1CC1CC1 ZINC000716766890 793006395 /nfs/dbraw/zinc/00/63/95/793006395.db2.gz WDULMKLEOYSWHD-SFHVURJKSA-N 1 0 324.428 2.032 10 0 DEAERO CCC[C@@H](CCO)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000716827531 793008850 /nfs/dbraw/zinc/00/88/50/793008850.db2.gz HCJQUGYYKSUCKJ-MELADBBJSA-N 1 0 300.443 2.430 10 0 DEAERO COCc1nc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cs1 ZINC000717029261 798945375 /nfs/dbraw/zinc/94/53/75/798945375.db2.gz AHDFLCCTQXOGNV-VHSXEESVSA-N 1 0 309.357 2.001 10 0 DEAERO [NH3+][C@@H]1CN(c2ncnc3ccsc32)CC[C@@H]1C(F)(F)F ZINC000717087333 799193489 /nfs/dbraw/zinc/19/34/89/799193489.db2.gz BUFQSISLNAYGRF-JGVFFNPUSA-N 1 0 302.325 2.407 10 0 DEAERO [NH3+][C@@H]1CN(c2ncnc3ccsc32)CC[C@H]1C(F)(F)F ZINC000717087329 799193495 /nfs/dbraw/zinc/19/34/95/799193495.db2.gz BUFQSISLNAYGRF-HTQZYQBOSA-N 1 0 302.325 2.407 10 0 DEAERO CC1(C)CO[C@H](CC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000717375099 799391622 /nfs/dbraw/zinc/39/16/22/799391622.db2.gz KOTRCERMNMMPFU-MCIONIFRSA-N 1 0 303.468 2.137 10 0 DEAERO Cn1nc(Br)cc1C[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000717386881 799393692 /nfs/dbraw/zinc/39/36/92/799393692.db2.gz JNBYHJXLWLAXJG-NSHDSACASA-N 1 0 316.243 2.477 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@H](O)C3CC3)C[C@H]2C1 ZINC000400984749 801814251 /nfs/dbraw/zinc/81/42/51/801814251.db2.gz XWNURPIMXKCWEY-VGWMRTNUSA-N 1 0 324.465 2.383 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCc2cn[nH]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401802807 801852336 /nfs/dbraw/zinc/85/23/36/801852336.db2.gz OKFYERVQZFIYSZ-TZMCWYRMSA-N 1 0 308.426 2.187 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCN2CC=CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401852361 801854664 /nfs/dbraw/zinc/85/46/64/801854664.db2.gz TVNPYLHUXCYIPL-HOTGVXAUSA-N 1 0 323.481 2.483 10 0 DEAERO C[C@H](CCO)C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405246922 802045323 /nfs/dbraw/zinc/04/53/23/802045323.db2.gz GHCYNYRQLRKLJJ-HZSPNIEDSA-N 1 0 312.454 2.430 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CC2)C12CCC2 ZINC000405300266 802050015 /nfs/dbraw/zinc/05/00/15/802050015.db2.gz JBFXGURJERZGBJ-MGPQQGTHSA-N 1 0 310.438 2.183 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCc2cn[nH]c2)C12CCC2 ZINC000405332866 802052438 /nfs/dbraw/zinc/05/24/38/802052438.db2.gz FBTNJENZMIITOZ-KBPBESRZSA-N 1 0 320.437 2.378 10 0 DEAERO Oc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2O)c1Br ZINC000315674233 802480146 /nfs/dbraw/zinc/48/01/46/802480146.db2.gz ZEBYWZUTNOLVKS-KOLCDFICSA-N 1 0 300.196 2.405 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000725073960 1078801026 /nfs/dbraw/zinc/80/10/26/1078801026.db2.gz XCPYMHMWUGMWBE-LBPRGKRZSA-N 1 0 316.492 2.421 10 0 DEAERO Brc1cnn(CCC[NH2+]Cc2cnsc2)c1 ZINC000712896627 1081542691 /nfs/dbraw/zinc/54/26/91/1081542691.db2.gz PFSBTXGYFDTOFD-UHFFFAOYSA-N 1 0 301.213 2.282 10 0 DEAERO C[C@H]([NH3+])C1CCN(S(=O)(=O)CCC(C)(C)C2CC2)CC1 ZINC000717933673 1081802262 /nfs/dbraw/zinc/80/22/62/1081802262.db2.gz BPYIMELGJKWTRH-LBPRGKRZSA-N 1 0 302.484 2.202 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)CCC(C)(C)C1CC1 ZINC000717938959 1081820307 /nfs/dbraw/zinc/82/03/07/1081820307.db2.gz SHTXSXXIHOKIHI-OCCSQVGLSA-N 1 0 302.484 2.344 10 0 DEAERO c1ccc(-c2ncc(C[NH2+]CCOC[C@@H]3CCOC3)cn2)cc1 ZINC000068993965 1082130148 /nfs/dbraw/zinc/13/01/48/1082130148.db2.gz LQDDKZRQLYCVGJ-OAHLLOKOSA-N 1 0 313.401 2.286 10 0 DEAERO O=C(N[C@H]1CCCN2CCSC[C@H]12)c1cccc(Cl)n1 ZINC000720513535 1085281931 /nfs/dbraw/zinc/28/19/31/1085281931.db2.gz WBKQXKUYGXCJNE-CMPLNLGQSA-N 1 0 311.838 2.045 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cncc(Br)c1 ZINC000720819099 1086168904 /nfs/dbraw/zinc/16/89/04/1086168904.db2.gz YHHUWJOIPWKRBH-CHWSQXEVSA-N 1 0 324.222 2.153 10 0 DEAERO CN(Cc1ccc(Cl)s1)C(=O)CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720829157 1086184266 /nfs/dbraw/zinc/18/42/66/1086184266.db2.gz VLQMGFCUHGMCKQ-LLVKDONJSA-N 1 0 315.870 2.029 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1[NH3+] ZINC000720833021 1086188492 /nfs/dbraw/zinc/18/84/92/1086188492.db2.gz CHUZANKNIBROAI-NSHDSACASA-N 1 0 323.245 2.351 10 0 DEAERO O=C(c1cccc(Br)n1)N1CCC([NH+]2CCC2)CC1 ZINC000700377676 1086315422 /nfs/dbraw/zinc/31/54/22/1086315422.db2.gz AZORKAYAMUAZNU-UHFFFAOYSA-N 1 0 324.222 2.154 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@@H]1C[C@@H](O)C1(C)C)C2 ZINC000701932236 1086394023 /nfs/dbraw/zinc/39/40/23/1086394023.db2.gz VUPYXGKYJCVWET-SBUZTJRASA-N 1 0 310.438 2.135 10 0 DEAERO CN1CCC[C@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000701929857 1086394123 /nfs/dbraw/zinc/39/41/23/1086394123.db2.gz AAZRABQHZMGWDV-UUCFBXCCSA-N 1 0 309.454 2.070 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)/C=C/c1ccc(Br)o1 ZINC000704634799 1086585894 /nfs/dbraw/zinc/58/58/94/1086585894.db2.gz HMCPTEKTBQTQGH-XDFYEUQUSA-N 1 0 313.195 2.312 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)C12CCC2 ZINC000707495127 1086674430 /nfs/dbraw/zinc/67/44/30/1086674430.db2.gz RVCBUBSWRYBFMA-RFQIPJPRSA-N 1 0 310.438 2.183 10 0 DEAERO C[C@@H](O)C[C@H](C)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711448736 1087117117 /nfs/dbraw/zinc/11/71/17/1087117117.db2.gz FOAKLLMLOROOBB-RFQIPJPRSA-N 1 0 300.443 2.286 10 0 DEAERO C[C@H](CCO)CC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711459307 1087120696 /nfs/dbraw/zinc/12/06/96/1087120696.db2.gz KIXRAELTCIXTST-MELADBBJSA-N 1 0 300.443 2.288 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711651109 1087186552 /nfs/dbraw/zinc/18/65/52/1087186552.db2.gz QXMANCLIWXHFRE-UONOGXRCSA-N 1 0 314.838 2.211 10 0 DEAERO Cn1ccc(C[NH2+][C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)n1 ZINC000711706007 1087192650 /nfs/dbraw/zinc/19/26/50/1087192650.db2.gz JWZBYVMYOUEJEL-YOEHRIQHSA-N 1 0 320.437 2.442 10 0 DEAERO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cncc(Br)c1 ZINC000718387155 1088514476 /nfs/dbraw/zinc/51/44/76/1088514476.db2.gz VNOKUINBYOPARC-YDNLMGDJSA-N 1 0 312.211 2.149 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000718558304 1088581869 /nfs/dbraw/zinc/58/18/69/1088581869.db2.gz JXQQXSPJKHSSQO-UHFFFAOYSA-N 1 0 315.186 2.332 10 0 DEAERO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)[C@@H](c1ccccc1)N(C)C ZINC000606444843 1088604798 /nfs/dbraw/zinc/60/47/98/1088604798.db2.gz HTVPELCZIKEKEK-PBHICJAKSA-N 1 0 324.490 2.092 10 0 DEAERO Cc1nc(C[NH2+]CC2([S@@](C)=O)CC2)sc1Br ZINC000719241949 1088912625 /nfs/dbraw/zinc/91/26/25/1088912625.db2.gz VLVRHWWQPZNNNN-MRXNPFEDSA-N 1 0 323.281 2.215 10 0 DEAERO Cc1nc(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)sc1Br ZINC000719273514 1088916714 /nfs/dbraw/zinc/91/67/14/1088916714.db2.gz KWYSMTSPSIKYOE-JOYOIKCWSA-N 1 0 316.268 2.255 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC000719546821 1089289842 /nfs/dbraw/zinc/28/98/42/1089289842.db2.gz GHADIUUUKQXYDH-NSHDSACASA-N 1 0 314.476 2.079 10 0 DEAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)CCN1C ZINC000719570399 1089306637 /nfs/dbraw/zinc/30/66/37/1089306637.db2.gz OFKGCQFQHZLBLM-OIISXLGYSA-N 1 0 317.433 2.080 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CCN1C ZINC000719579514 1089312383 /nfs/dbraw/zinc/31/23/83/1089312383.db2.gz HUBFEMCFJNEAOJ-BARDWOONSA-N 1 0 311.470 2.362 10 0 DEAERO COc1nsc(C[NH2+][C@H]2CCN(C)[C@@H]2C)c1Br ZINC000719608230 1089327169 /nfs/dbraw/zinc/32/71/69/1089327169.db2.gz FDGDABWRTUJYMB-SFYZADRCSA-N 1 0 320.256 2.096 10 0 DEAERO Cc1ccc(C[NH2+]CC2(CO)COC2)c(C)c1Br ZINC000719616331 1089328488 /nfs/dbraw/zinc/32/84/88/1089328488.db2.gz ZCDSKXKGXMNKKB-UHFFFAOYSA-N 1 0 314.223 2.164 10 0 DEAERO c1ccc(SCC[NH+]2CCC(Cc3nn[nH]n3)CC2)cc1 ZINC000095107387 1138226886 /nfs/dbraw/zinc/22/68/86/1138226886.db2.gz SMAGRMPQXBHZEG-UHFFFAOYSA-N 1 0 303.435 2.247 10 0 DEAERO COCC[NH+]1[C@@H](C)CN(C(=O)Cc2ccc(C)cc2)C[C@@H]1C ZINC000074557298 184997368 /nfs/dbraw/zinc/99/73/68/184997368.db2.gz YYADYVNLAKQFPP-HOTGVXAUSA-N 1 0 304.434 2.105 10 0 DEAERO COc1ccc2c(c1)CC[C@@H](Sc1nccc(=O)[nH]1)[C@H]2[NH3+] ZINC000081774410 192322182 /nfs/dbraw/zinc/32/21/82/192322182.db2.gz WLTQOUUDFGUKGD-OCCSQVGLSA-N 1 0 303.387 2.298 10 0 DEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000183321702 282100735 /nfs/dbraw/zinc/10/07/35/282100735.db2.gz GPSCNIKJCAOIBM-LBPRGKRZSA-N 1 0 317.359 2.038 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)c2ccc(OC)cc2)C1 ZINC000149945148 282104284 /nfs/dbraw/zinc/10/42/84/282104284.db2.gz VKBFSEHSNJWAJH-OAHLLOKOSA-N 1 0 318.417 2.259 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1Sc1nnc(C)o1)OCCO2 ZINC000081877544 192332669 /nfs/dbraw/zinc/33/26/69/192332669.db2.gz CAWGWYZXPVOUFT-VXGBXAGGSA-N 1 0 313.423 2.134 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1Sc1nnnn1C1CC1 ZINC000081867477 192332853 /nfs/dbraw/zinc/33/28/53/192332853.db2.gz LTVWNGOHKDGIMG-KBPBESRZSA-N 1 0 301.419 2.376 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@H]1Sc1nnc2n1CCCCC2 ZINC000081865861 192333276 /nfs/dbraw/zinc/33/32/76/192333276.db2.gz FQFKAAFGJGMGJC-CHWSQXEVSA-N 1 0 310.467 2.254 10 0 DEAERO CCc1ccc([C@H]([NH2+]C)[C@@H](C)Sc2n[nH]c(=O)n2C)cc1 ZINC000081880540 192333886 /nfs/dbraw/zinc/33/38/86/192333886.db2.gz UTOZSSJACIJDMI-ZWNOBZJWSA-N 1 0 306.435 2.112 10 0 DEAERO Cn1cc(SC[C@H]([NH3+])c2ccc3c(c2)OCCCO3)cn1 ZINC000081893135 192334145 /nfs/dbraw/zinc/33/41/45/192334145.db2.gz IOBLUQAKZPTAIA-ZDUSSCGKSA-N 1 0 305.403 2.374 10 0 DEAERO CCn1c(=O)[nH]nc1S[C@@H](C)[C@H]([NH2+]C)c1ccc(C)cc1 ZINC000081882123 192334227 /nfs/dbraw/zinc/33/42/27/192334227.db2.gz BHVDEWZRXIABEH-AAEUAGOBSA-N 1 0 306.435 2.341 10 0 DEAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)Sc1n[nH]c(=O)n1CC ZINC000081879731 192334362 /nfs/dbraw/zinc/33/43/62/192334362.db2.gz ALBJNKNXZDZBRL-DGCLKSJQSA-N 1 0 306.435 2.423 10 0 DEAERO CC(C)(C)S(=O)(=O)C[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081924144 192339874 /nfs/dbraw/zinc/33/98/74/192339874.db2.gz USNRXOCDAFZALN-LBPRGKRZSA-N 1 0 313.419 2.061 10 0 DEAERO CC(C)(C)[NH2+]Cc1ccc(Cl)cc1N1CCO[C@@H](CO)C1 ZINC000162935144 197601092 /nfs/dbraw/zinc/60/10/92/197601092.db2.gz DKTREVMAQXVTDT-CQSZACIVSA-N 1 0 312.841 2.426 10 0 DEAERO CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000151918795 282130017 /nfs/dbraw/zinc/13/00/17/282130017.db2.gz DEEAOZHOOIVHPW-NWDGAFQWSA-N 1 0 311.223 2.406 10 0 DEAERO c1c(C2CC2)[nH]nc1N1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000426773482 230816673 /nfs/dbraw/zinc/81/66/73/230816673.db2.gz JWKUQSSPHBKTTL-OAHLLOKOSA-N 1 0 304.438 2.368 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](C)S(=O)(=O)c1ccc(Br)cc1 ZINC000081933356 192341677 /nfs/dbraw/zinc/34/16/77/192341677.db2.gz MOVUGOIGTAQIDA-LDYMZIIASA-N 1 0 306.225 2.349 10 0 DEAERO CC(C)[NH2+]Cc1ccc(Sc2n[nH]c(=O)n2C)c(Cl)c1 ZINC000164629220 197659349 /nfs/dbraw/zinc/65/93/49/197659349.db2.gz AETTZPRNWQDUSX-UHFFFAOYSA-N 1 0 312.826 2.411 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1S(=O)(=O)CCOC ZINC000081945090 192345198 /nfs/dbraw/zinc/34/51/98/192345198.db2.gz SPQJGNSEIOLHCZ-ZNMIVQPWSA-N 1 0 305.484 2.241 10 0 DEAERO COC(=O)[C@H](C)CN(C)C(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079291325 185163631 /nfs/dbraw/zinc/16/36/31/185163631.db2.gz JMAHWUYWKBZKRE-OLZOCXBDSA-N 1 0 300.443 2.045 10 0 DEAERO CC(C)[C@H]1CCCN(S(=O)(=O)CCC2CC[NH2+]CC2)CC1 ZINC000079348585 185165888 /nfs/dbraw/zinc/16/58/88/185165888.db2.gz GOPNHRXJJIAZTN-INIZCTEOSA-N 1 0 316.511 2.464 10 0 DEAERO COC(=O)[C@H](CC(C)C)NC(=O)CC[C@H](CC[NH3+])C(C)C ZINC000079276252 185163086 /nfs/dbraw/zinc/16/30/86/185163086.db2.gz BTMPVJQRHUHKDY-KGLIPLIRSA-N 1 0 300.443 2.092 10 0 DEAERO Cc1nn(C)c(Sc2ccc(Br)cn2)c1C[NH3+] ZINC000079445557 185171964 /nfs/dbraw/zinc/17/19/64/185171964.db2.gz UHIWTNMCOUBNQJ-UHFFFAOYSA-N 1 0 313.224 2.496 10 0 DEAERO CCC[NH2+][C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)CCOC ZINC000081944544 192345471 /nfs/dbraw/zinc/34/54/71/192345471.db2.gz URKPGMHITAUUHX-HOTGVXAUSA-N 1 0 311.447 2.103 10 0 DEAERO C[C@@]1(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)CCC[NH2+]1 ZINC000079516641 185173831 /nfs/dbraw/zinc/17/38/31/185173831.db2.gz NAZWUCWUXTZUIY-CJNGLKHVSA-N 1 0 308.447 2.398 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000082311193 185174917 /nfs/dbraw/zinc/17/49/17/185174917.db2.gz LLUDMVOKGZLXJG-GOSISDBHSA-N 1 0 315.461 2.205 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)CCOC)c1c(C)cc(C)cc1C ZINC000081944438 192346023 /nfs/dbraw/zinc/34/60/23/192346023.db2.gz ZTSYKOXDNDGGPU-HNNXBMFYSA-N 1 0 313.463 2.324 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])c1cc(Br)cs1 ZINC000082720533 185196281 /nfs/dbraw/zinc/19/62/81/185196281.db2.gz PXACEMULHNWJMX-QMMMGPOBSA-N 1 0 312.254 2.335 10 0 DEAERO [NH3+][C@H]1CC[C@@H](S(=O)(=O)c2ccccc2Br)C1 ZINC000082820011 185208468 /nfs/dbraw/zinc/20/84/68/185208468.db2.gz IYHPVQZMSZLMGP-DTWKUNHWSA-N 1 0 304.209 2.103 10 0 DEAERO [NH3+][C@](CO)(CSc1ncccc1Br)C1CC1 ZINC000082905350 185209584 /nfs/dbraw/zinc/20/95/84/185209584.db2.gz ZZQFTVGEVPZVFH-LLVKDONJSA-N 1 0 303.225 2.036 10 0 DEAERO Ic1ccc(N2CCC[NH2+]CC2)cc1 ZINC000083092321 185213159 /nfs/dbraw/zinc/21/31/59/185213159.db2.gz ADKGKGZXMNUDPL-UHFFFAOYSA-N 1 0 302.159 2.091 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](C3CCOCC3)CC2)o1 ZINC000083184453 185216856 /nfs/dbraw/zinc/21/68/56/185216856.db2.gz YSEZLKHZCXAJHD-AWEZNQCLSA-N 1 0 321.421 2.155 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000087516836 185227482 /nfs/dbraw/zinc/22/74/82/185227482.db2.gz OBCQIFQESAVSNR-WOPDTQHZSA-N 1 0 310.360 2.368 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000087517408 185227508 /nfs/dbraw/zinc/22/75/08/185227508.db2.gz VJFDLCPOUBVLCN-SECBINFHSA-N 1 0 305.300 2.336 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000087515043 185227541 /nfs/dbraw/zinc/22/75/41/185227541.db2.gz UZIMCQNXKVCDCC-CYBMUJFWSA-N 1 0 309.841 2.364 10 0 DEAERO CC(C)([NH3+])C(C)(C)C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000087627910 185229528 /nfs/dbraw/zinc/22/95/28/185229528.db2.gz GWKROLVLCRIRIY-UHFFFAOYSA-N 1 0 309.479 2.156 10 0 DEAERO Cc1ccc(Br)cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000087744005 185231165 /nfs/dbraw/zinc/23/11/65/185231165.db2.gz KEFLBMPEDGFAPT-GXFFZTMASA-N 1 0 309.207 2.191 10 0 DEAERO O[C@@H]1CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000328817219 231355520 /nfs/dbraw/zinc/35/55/20/231355520.db2.gz NYUCOGXDNDJYME-SOUVJXGZSA-N 1 0 321.421 2.089 10 0 DEAERO [NH3+]C[C@H](NC[C@@H]1CCCO1)c1cc(Br)ccc1F ZINC000087928555 185237794 /nfs/dbraw/zinc/23/77/94/185237794.db2.gz UVPYHUGRURNESN-GWCFXTLKSA-N 1 0 317.202 2.357 10 0 DEAERO COCCC[C@H]([NH3+])CNCc1sccc1Br ZINC000088006185 185237975 /nfs/dbraw/zinc/23/79/75/185237975.db2.gz OYKXPHPKRVGRBB-VIFPVBQESA-N 1 0 307.257 2.354 10 0 DEAERO COCCN1C(=O)CC[C@@H]([NH3+])[C@H]1c1ccc(Cl)cc1F ZINC000165614870 197678163 /nfs/dbraw/zinc/67/81/63/197678163.db2.gz QNQQNZMNTPPCAW-TZMCWYRMSA-N 1 0 300.761 2.116 10 0 DEAERO CC[NH2+][C@@H](Cc1cc(Br)cs1)[C@@H]1COCCO1 ZINC000087858214 185233826 /nfs/dbraw/zinc/23/38/26/185233826.db2.gz QWCWJJHTLWDCAG-RYUDHWBXSA-N 1 0 320.252 2.447 10 0 DEAERO CN(Cc1cccc(Br)c1)c1cc(NN)[nH+]cn1 ZINC000087864155 185233842 /nfs/dbraw/zinc/23/38/42/185233842.db2.gz HNSSYPSAOWHUAH-UHFFFAOYSA-N 1 0 308.183 2.161 10 0 DEAERO CC[NH2+][C@H](Cc1sccc1Br)[C@@H]1COCCO1 ZINC000087857903 185233874 /nfs/dbraw/zinc/23/38/74/185233874.db2.gz MQPWUSMPUYQFOB-MNOVXSKESA-N 1 0 320.252 2.447 10 0 DEAERO CC[NH2+][C@H](Cc1cccc(Br)c1)[C@@H]1COCCO1 ZINC000087857867 185233951 /nfs/dbraw/zinc/23/39/51/185233951.db2.gz VZIBXPFZYZSIAA-KGLIPLIRSA-N 1 0 314.223 2.385 10 0 DEAERO CN(C)c1nc(Cl)nc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000088165086 185241063 /nfs/dbraw/zinc/24/10/63/185241063.db2.gz OOKPPTDSVCBVQK-FGWVZKOKSA-N 1 0 310.833 2.018 10 0 DEAERO O=C(Nc1c(F)cc(Br)cc1F)[C@@H]1CCC[NH2+]1 ZINC000088168506 185241080 /nfs/dbraw/zinc/24/10/80/185241080.db2.gz GQAYIPGGSKMUFR-VIFPVBQESA-N 1 0 305.122 2.418 10 0 DEAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000088275942 185244586 /nfs/dbraw/zinc/24/45/86/185244586.db2.gz UBVGWWDAVOGNGI-GFCCVEGCSA-N 1 0 312.435 2.040 10 0 DEAERO CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccccc1S(C)(=O)=O ZINC000088276762 185244614 /nfs/dbraw/zinc/24/46/14/185244614.db2.gz FGXCZFPEJNNWFY-LBPRGKRZSA-N 1 0 312.435 2.040 10 0 DEAERO COc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1Br ZINC000088321817 185245828 /nfs/dbraw/zinc/24/58/28/185245828.db2.gz SNYRVTBVESXVIE-WCBMZHEXSA-N 1 0 313.195 2.252 10 0 DEAERO C[NH2+][C@@H]1CCCN(c2cc(OC)ccc2Br)C1=O ZINC000088330709 185245939 /nfs/dbraw/zinc/24/59/39/185245939.db2.gz ADVWEUCDHFBERY-LLVKDONJSA-N 1 0 313.195 2.173 10 0 DEAERO CC[NH+](CC)CC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000088250380 185243655 /nfs/dbraw/zinc/24/36/55/185243655.db2.gz IMGLKZYSRNKDAA-GFCCVEGCSA-N 1 0 311.376 2.002 10 0 DEAERO Cc1cccc(S(=O)(=O)N2CC[NH2+]CC23CCCCC3)c1 ZINC000088396210 185248415 /nfs/dbraw/zinc/24/84/15/185248415.db2.gz UOBKMNMCUXTMEC-UHFFFAOYSA-N 1 0 308.447 2.292 10 0 DEAERO [NH3+]Cc1ccccc1S(=O)(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000088419188 185249437 /nfs/dbraw/zinc/24/94/37/185249437.db2.gz VKYNFZLQNDYAAA-NSHDSACASA-N 1 0 322.352 2.108 10 0 DEAERO CN[C@](C)(CCC[NH+]1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000088435521 185250516 /nfs/dbraw/zinc/25/05/16/185250516.db2.gz YUSIWYZKKUNAEN-CYBMUJFWSA-N 1 0 310.360 2.192 10 0 DEAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)Nc2cnc(Br)cn2)C1 ZINC000088446382 185251277 /nfs/dbraw/zinc/25/12/77/185251277.db2.gz VAJOOEOHERGNSX-PRHODGIISA-N 1 0 313.199 2.085 10 0 DEAERO CCCN(CC)S(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088543669 185256930 /nfs/dbraw/zinc/25/69/30/185256930.db2.gz KKHZPRXFSNHJCM-UHFFFAOYSA-N 1 0 302.440 2.446 10 0 DEAERO CC(C)CC[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088539912 185255534 /nfs/dbraw/zinc/25/55/34/185255534.db2.gz CUARBTXXVYDKPM-LBPRGKRZSA-N 1 0 302.440 2.444 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)o1 ZINC000088542988 185256178 /nfs/dbraw/zinc/25/61/78/185256178.db2.gz YBIMURCUCYQGPO-JTQLQIEISA-N 1 0 312.366 2.178 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982906 192348919 /nfs/dbraw/zinc/34/89/19/192348919.db2.gz MALSJWIGRFPKLF-GHMZBOCLSA-N 1 0 304.209 2.103 10 0 DEAERO C[NH2+]C[C@@H](Cc1ncnn1C)Cc1ccc(Br)cc1 ZINC000088583071 185258384 /nfs/dbraw/zinc/25/83/84/185258384.db2.gz JDGPYLQSZOWQMU-GFCCVEGCSA-N 1 0 323.238 2.198 10 0 DEAERO CC[NH2+][C@H](Cc1ncnn1C)c1ccccc1Br ZINC000088581940 185258457 /nfs/dbraw/zinc/25/84/57/185258457.db2.gz LWJWKWTURLNKTH-GFCCVEGCSA-N 1 0 309.211 2.471 10 0 DEAERO CC[NH2+][C@@H](Cc1ncnn1C)c1ccc(Br)cc1 ZINC000088581697 185258520 /nfs/dbraw/zinc/25/85/20/185258520.db2.gz ATQMLOSZCPEXMH-LBPRGKRZSA-N 1 0 309.211 2.471 10 0 DEAERO CC[NH2+][C@@H](Cc1csc(C)n1)Cc1ncnn1CC(C)C ZINC000088611927 185260115 /nfs/dbraw/zinc/26/01/15/185260115.db2.gz WEVDTBTTWFWGAD-ZDUSSCGKSA-N 1 0 307.467 2.462 10 0 DEAERO CCc1ccccc1NC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177771861 282207788 /nfs/dbraw/zinc/20/77/88/282207788.db2.gz PBFQDFSUDXTSRA-MRXNPFEDSA-N 1 0 301.434 2.358 10 0 DEAERO COCC[NH2+]CCCc1nnc(-c2ccc(OC)cc2)s1 ZINC000088813271 185266373 /nfs/dbraw/zinc/26/63/73/185266373.db2.gz JCBGNYOETWQULL-UHFFFAOYSA-N 1 0 307.419 2.382 10 0 DEAERO COCC[NH2+]CCc1nnc([C@H](OC)c2ccccc2)s1 ZINC000088824154 185266573 /nfs/dbraw/zinc/26/65/73/185266573.db2.gz JJWQNULVKVUNLQ-CQSZACIVSA-N 1 0 307.419 2.052 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(Cl)c1 ZINC000081982180 192349656 /nfs/dbraw/zinc/34/96/56/192349656.db2.gz XPTQWDBTHQVZHO-KBPBESRZSA-N 1 0 317.838 2.271 10 0 DEAERO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCCSCC2)c1 ZINC000089981706 185274121 /nfs/dbraw/zinc/27/41/21/185274121.db2.gz YAAWDDCNQOFMKD-HNNXBMFYSA-N 1 0 309.431 2.068 10 0 DEAERO CC[C@@H](CO)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000166172320 197689110 /nfs/dbraw/zinc/68/91/10/197689110.db2.gz VUIHBBXSZVWOSY-IHRRRGAJSA-N 1 0 300.443 2.383 10 0 DEAERO CCc1nn(CC)c(CN(CC)C2C[NH2+]C2)c1Br ZINC000090291672 185289645 /nfs/dbraw/zinc/28/96/45/185289645.db2.gz YDHQWLWQADAGQV-UHFFFAOYSA-N 1 0 315.259 2.022 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1C ZINC000090293341 185289853 /nfs/dbraw/zinc/28/98/53/185289853.db2.gz MCZUUGBXPHONAY-UHFFFAOYSA-N 1 0 302.827 2.021 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000090293291 185290008 /nfs/dbraw/zinc/29/00/08/185290008.db2.gz MIWAORVUUXFMMJ-UHFFFAOYSA-N 1 0 323.245 2.366 10 0 DEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1sccc1Br ZINC000090324632 185291076 /nfs/dbraw/zinc/29/10/76/185291076.db2.gz FFLXUHOZJWKXME-IWSPIJDZSA-N 1 0 315.236 2.191 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1nc(-c2ccsc2)no1 ZINC000090333413 185291715 /nfs/dbraw/zinc/29/17/15/185291715.db2.gz XNSDHPFRUZFRNI-JHJVBQTASA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1Cc1noc(-c2ccsc2)n1 ZINC000090337831 185291752 /nfs/dbraw/zinc/29/17/52/185291752.db2.gz ZIDNUZIFMNRZCS-NEPJUHHUSA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1S(=O)(=O)c1ccc(Cl)s1 ZINC000090336861 185291930 /nfs/dbraw/zinc/29/19/30/185291930.db2.gz OBKKVOMMMARCDA-DTWKUNHWSA-N 1 0 320.867 2.020 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1Cc1nc(-c2ccsc2)no1 ZINC000090338333 185291995 /nfs/dbraw/zinc/29/19/95/185291995.db2.gz NHWFELTXSSAQBI-NWDGAFQWSA-N 1 0 304.419 2.228 10 0 DEAERO CCCSc1nsc(NC(=O)CSC[C@H](C)[NH3+])n1 ZINC000090343587 185292043 /nfs/dbraw/zinc/29/20/43/185292043.db2.gz SQTDFOHMOANECH-ZETCQYMHSA-N 1 0 306.482 2.059 10 0 DEAERO C[C@@H](C[NH3+])CSCC(=O)Nc1ccc(Br)cn1 ZINC000090350144 185292064 /nfs/dbraw/zinc/29/20/64/185292064.db2.gz UYQZAACVZNQAAM-QMMMGPOBSA-N 1 0 318.240 2.111 10 0 DEAERO C[C@@H]([NH3+])CCSCC(=O)NCCc1cccc(Cl)c1 ZINC000090346613 185292084 /nfs/dbraw/zinc/29/20/84/185292084.db2.gz ZXGABNJQYHHDRE-LLVKDONJSA-N 1 0 300.855 2.469 10 0 DEAERO [NH3+][C@H]1COC[C@H]1c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000090364352 185292706 /nfs/dbraw/zinc/29/27/06/185292706.db2.gz JGNJKGUCKPJVHU-KOLCDFICSA-N 1 0 314.172 2.408 10 0 DEAERO CN(Cc1ccccc1Br)[C@H](C[NH3+])c1cncn1C ZINC000090167506 185284535 /nfs/dbraw/zinc/28/45/35/185284535.db2.gz BYQZYLJCYIZCPG-CYBMUJFWSA-N 1 0 323.238 2.314 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(OCC)c(Cl)c1 ZINC000090489783 185298907 /nfs/dbraw/zinc/29/89/07/185298907.db2.gz XFAAZPHIQMEAPZ-AAEUAGOBSA-N 1 0 312.797 2.302 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000090487510 185298908 /nfs/dbraw/zinc/29/89/08/185298908.db2.gz SCOQFQCFHDETCY-VXGBXAGGSA-N 1 0 302.296 2.268 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000090487260 185298913 /nfs/dbraw/zinc/29/89/13/185298913.db2.gz CTJJZSAWDAWTTC-VXGBXAGGSA-N 1 0 302.296 2.268 10 0 DEAERO Cc1cc(Cl)c(NC(=O)[C@@H]2COC[C@@H]2[NH3+])c2cccnc12 ZINC000090379768 185293701 /nfs/dbraw/zinc/29/37/01/185293701.db2.gz MMTFFXUEVJXRQZ-PWSUYJOCSA-N 1 0 305.765 2.109 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000090431447 185295925 /nfs/dbraw/zinc/29/59/25/185295925.db2.gz GATUYKIZHZQVSK-WCBMZHEXSA-N 1 0 303.189 2.475 10 0 DEAERO [NH2+]=C1NC[C@H](c2cncc(Br)c2)N1C1CCCC1 ZINC000166767720 197697921 /nfs/dbraw/zinc/69/79/21/197697921.db2.gz GURCXSVCUAPINM-GFCCVEGCSA-N 1 0 309.211 2.458 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1c(F)cc(F)cc1F ZINC000090546563 185301994 /nfs/dbraw/zinc/30/19/94/185301994.db2.gz QQRXMKFYKHDRDV-SKDRFNHKSA-N 1 0 302.296 2.057 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090580358 185304812 /nfs/dbraw/zinc/30/48/12/185304812.db2.gz SUWDLYOSKDVZDN-DGCLKSJQSA-N 1 0 313.195 2.060 10 0 DEAERO CN(C)c1cccc(C(=O)N2CCCSC[C@@H]2C[NH+](C)C)c1 ZINC000090700135 185310417 /nfs/dbraw/zinc/31/04/17/185310417.db2.gz ZISVBQJQWZTTAJ-INIZCTEOSA-N 1 0 321.490 2.262 10 0 DEAERO CC(C)(CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccncc1 ZINC000092362342 185314215 /nfs/dbraw/zinc/31/42/15/185314215.db2.gz DZHLOXAWHCKVEL-MRXNPFEDSA-N 1 0 316.449 2.239 10 0 DEAERO CC(C)[C@@H](CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000092395135 185315876 /nfs/dbraw/zinc/31/58/76/185315876.db2.gz IIAFRDFKGLQQIO-GXFFZTMASA-N 1 0 322.232 2.340 10 0 DEAERO COC(=O)c1cc(NC(=O)C[NH2+]C(C)(C)C)c(F)cc1F ZINC000092460738 185320304 /nfs/dbraw/zinc/32/03/04/185320304.db2.gz CDKCGADIOPFJPC-UHFFFAOYSA-N 1 0 300.305 2.078 10 0 DEAERO CC[N@H+](CC(=O)NCc1ncc(-c2ccccc2)cn1)C1CC1 ZINC000183862075 282243712 /nfs/dbraw/zinc/24/37/12/282243712.db2.gz VROHKAILDQNZBG-UHFFFAOYSA-N 1 0 310.401 2.244 10 0 DEAERO CCNc1ccc(Cl)c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)n1 ZINC000092674218 185332870 /nfs/dbraw/zinc/33/28/70/185332870.db2.gz YHVMTIZQIUJGRB-LLVKDONJSA-N 1 0 310.829 2.333 10 0 DEAERO CCS(=O)(=O)CCC[C@@H](Cc1c(F)cccc1F)[NH2+]C ZINC000167545357 197710338 /nfs/dbraw/zinc/71/03/38/197710338.db2.gz HEBLIGFXPUJOSV-NSHDSACASA-N 1 0 305.390 2.310 10 0 DEAERO COC(=O)Cc1ccccc1C[N@H+](CCC(N)=S)C(C)C ZINC000167680494 197712377 /nfs/dbraw/zinc/71/23/77/197712377.db2.gz AUXANRQEOVFARY-UHFFFAOYSA-N 1 0 308.447 2.289 10 0 DEAERO CN(c1cc2c(cc1Cl)C(=O)C(=O)N2)C1CC[NH+](C)CC1 ZINC000092772233 185339629 /nfs/dbraw/zinc/33/96/29/185339629.db2.gz YGMLMWFAVGNAEL-UHFFFAOYSA-N 1 0 307.781 2.005 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](S(=O)(=O)c1cccs1)C2 ZINC000092859142 185346792 /nfs/dbraw/zinc/34/67/92/185346792.db2.gz LARLLJXLFZUQKO-JSGCOSHPSA-N 1 0 309.412 2.155 10 0 DEAERO NC(=O)c1csc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000092812890 185343292 /nfs/dbraw/zinc/34/32/92/185343292.db2.gz WVABAKBHCTTYMI-GFCCVEGCSA-N 1 0 316.430 2.176 10 0 DEAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)C1CCCC1 ZINC000092911533 185348430 /nfs/dbraw/zinc/34/84/30/185348430.db2.gz BJWVZYLHZXNGNP-HOTGVXAUSA-N 1 0 309.431 2.238 10 0 DEAERO COCC[C@H](C)[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000181390516 199288643 /nfs/dbraw/zinc/28/86/43/199288643.db2.gz WJZITYMBTYEFID-GWCFXTLKSA-N 1 0 302.212 2.497 10 0 DEAERO COC(=O)CNC(=O)CC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000181406746 199292369 /nfs/dbraw/zinc/29/23/69/199292369.db2.gz TZPHJDHMUUUHIL-CQSZACIVSA-N 1 0 320.433 2.215 10 0 DEAERO CC[C@@H](CSC)N(C)S(=O)(=O)c1csc(C[NH2+]C)c1 ZINC000168549480 197725009 /nfs/dbraw/zinc/72/50/09/197725009.db2.gz ZHNFNAKDIUQQMH-JTQLQIEISA-N 1 0 322.521 2.230 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(COC(C)(C)C)on2)C1 ZINC000186374214 282273837 /nfs/dbraw/zinc/27/38/37/282273837.db2.gz QTEIYYLRSWIEBR-DOMZBBRYSA-N 1 0 323.437 2.448 10 0 DEAERO CCc1nn(C)c(CC)c1C[NH2+][C@@H](COC)C1CCOCC1 ZINC000188273607 529766629 /nfs/dbraw/zinc/76/66/29/529766629.db2.gz VPIJXGTWKMQBTJ-INIZCTEOSA-N 1 0 309.454 2.076 10 0 DEAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccncc1 ZINC000036954908 539334953 /nfs/dbraw/zinc/33/49/53/539334953.db2.gz DYKRVXSUSZVVNO-RYUDHWBXSA-N 1 0 305.403 2.141 10 0 DEAERO COc1ccc(O)cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000186920482 282285867 /nfs/dbraw/zinc/28/58/67/282285867.db2.gz WPSIMPRLZGTIRL-UHFFFAOYSA-N 1 0 306.406 2.205 10 0 DEAERO CC(C)[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000181610368 199326811 /nfs/dbraw/zinc/32/68/11/199326811.db2.gz JFUYLERSKBRIGG-MRXNPFEDSA-N 1 0 312.360 2.110 10 0 DEAERO C[C@@H](C1CC1)N(C(=O)C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1)C1CC1 ZINC000188019087 282295696 /nfs/dbraw/zinc/29/56/96/282295696.db2.gz XXUSTPCPXUGXMY-GLJUWKHASA-N 1 0 308.466 2.259 10 0 DEAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cn3ccnc3s2)C1 ZINC000188392634 282299269 /nfs/dbraw/zinc/29/92/69/282299269.db2.gz FKOQXFAIUZOARX-LBPRGKRZSA-N 1 0 306.435 2.246 10 0 DEAERO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccn(C)c2)n1C ZINC000328630538 529944325 /nfs/dbraw/zinc/94/43/25/529944325.db2.gz JMKUHEMJFIROQC-INIZCTEOSA-N 1 0 314.433 2.450 10 0 DEAERO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2CCOCC2CC2)n1C ZINC000328656520 529944567 /nfs/dbraw/zinc/94/45/67/529944567.db2.gz ZJTCVDSPOXZSCE-MRXNPFEDSA-N 1 0 319.449 2.338 10 0 DEAERO CN(C[C@@H]1CC=CCC1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440996744 529944684 /nfs/dbraw/zinc/94/46/84/529944684.db2.gz ZJYZGNRUSRZMET-MRXNPFEDSA-N 1 0 322.497 2.010 10 0 DEAERO COC[C@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000190435137 282320368 /nfs/dbraw/zinc/32/03/68/282320368.db2.gz QNVZBYMRZGXJKE-MWLCHTKSSA-N 1 0 318.211 2.116 10 0 DEAERO COC[C@H](C)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000103383378 185449183 /nfs/dbraw/zinc/44/91/83/185449183.db2.gz LSJMITDTNCMEOX-AWEZNQCLSA-N 1 0 319.449 2.438 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(C)cc1 ZINC000245413678 282385660 /nfs/dbraw/zinc/38/56/60/282385660.db2.gz BRFUVBQTLQKAKL-IRXDYDNUSA-N 1 0 301.434 2.492 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)[C@@H](C)CC(C)C ZINC000245436525 282388461 /nfs/dbraw/zinc/38/84/61/282388461.db2.gz RBHIWFYSQZPBQP-BBWFWOEESA-N 1 0 309.498 2.438 10 0 DEAERO Cc1nc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)sc1C ZINC000245484640 282391287 /nfs/dbraw/zinc/39/12/87/282391287.db2.gz HURMKTKXPORPNL-GWCFXTLKSA-N 1 0 310.467 2.384 10 0 DEAERO CCc1cnc(CCNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)s1 ZINC000126316859 539477336 /nfs/dbraw/zinc/47/73/36/539477336.db2.gz FJXXEGHZVGPUGF-NEPJUHHUSA-N 1 0 322.478 2.172 10 0 DEAERO COc1ccc(C)cc1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111242998 185562625 /nfs/dbraw/zinc/56/26/25/185562625.db2.gz RJUDRLNDJBCXLS-CYBMUJFWSA-N 1 0 302.296 2.484 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(CCO)CCOC2)C12CCCCC2 ZINC000245952216 282413052 /nfs/dbraw/zinc/41/30/52/282413052.db2.gz WTFWZMQGEVRZDL-BRWVUGGUSA-N 1 0 311.466 2.493 10 0 DEAERO COc1cccc([C@@H](C[NH3+])Sc2nnc(N(C)C)s2)c1 ZINC000111315455 185580556 /nfs/dbraw/zinc/58/05/56/185580556.db2.gz LVXGWQZWYXJRCS-LLVKDONJSA-N 1 0 310.448 2.405 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)c1ccncc1 ZINC000130236592 539494345 /nfs/dbraw/zinc/49/43/45/539494345.db2.gz RKTYXEPOOPRFDL-INIZCTEOSA-N 1 0 318.465 2.485 10 0 DEAERO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cncnc2)CC1 ZINC000130196411 539493650 /nfs/dbraw/zinc/49/36/50/539493650.db2.gz ALYPREIDQVSFKY-UHFFFAOYSA-N 1 0 314.364 2.466 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000132736025 539504832 /nfs/dbraw/zinc/50/48/32/539504832.db2.gz QXCVXNOQETXRSI-ZDUSSCGKSA-N 1 0 309.435 2.161 10 0 DEAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1F ZINC000111715329 185629624 /nfs/dbraw/zinc/62/96/24/185629624.db2.gz VCGYXJQURQXEBG-JSGCOSHPSA-N 1 0 314.426 2.367 10 0 DEAERO CCC[NH2+][C@@H](C)C1CCN(S(=O)(=O)CCC(C)C)CC1 ZINC000111714742 185629860 /nfs/dbraw/zinc/62/98/60/185629860.db2.gz JKNIALDGMXBAIW-AWEZNQCLSA-N 1 0 304.500 2.462 10 0 DEAERO CN(c1ccc(C(N)=[NH2+])cc1)c1ncc(Br)cn1 ZINC000111750970 185632750 /nfs/dbraw/zinc/63/27/50/185632750.db2.gz MCGFYVPZWRQJHA-UHFFFAOYSA-N 1 0 306.167 2.291 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1NC1(C[NH3+])CCCC1 ZINC000111833341 185640310 /nfs/dbraw/zinc/64/03/10/185640310.db2.gz SACXHUWDPYODMV-UHFFFAOYSA-N 1 0 301.312 2.488 10 0 DEAERO CC(=O)Nc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000181987755 199371742 /nfs/dbraw/zinc/37/17/42/199371742.db2.gz QVFLABPYUKXXRH-RDTXWAMCSA-N 1 0 319.449 2.142 10 0 DEAERO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279670537 215047416 /nfs/dbraw/zinc/04/74/16/215047416.db2.gz FOXIIFMFQKJDOT-OCCSQVGLSA-N 1 0 308.426 2.155 10 0 DEAERO C[C@@H]([NH2+]CCn1ccnc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279679751 215054974 /nfs/dbraw/zinc/05/49/74/215054974.db2.gz GXSDHHHSSJHDDB-KGLIPLIRSA-N 1 0 308.426 2.118 10 0 DEAERO Cc1ccc(C2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000333815612 282971263 /nfs/dbraw/zinc/97/12/63/282971263.db2.gz KBAAPSOJCPCDLM-KRWDZBQOSA-N 1 0 316.449 2.421 10 0 DEAERO Cc1n[nH]cc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279682844 215059920 /nfs/dbraw/zinc/05/99/20/215059920.db2.gz HJZCRAXJZQDQQT-DGCLKSJQSA-N 1 0 308.426 2.453 10 0 DEAERO c1ccc(Cn2nnnc2CN2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000625771883 365895703 /nfs/dbraw/zinc/89/57/03/365895703.db2.gz RNGUHARRTVXTRY-CABCVRRESA-N 1 0 315.446 2.191 10 0 DEAERO C[C@@](O)(C[NH2+]C1CC1)COCc1cccc(Br)c1 ZINC000123839932 185847555 /nfs/dbraw/zinc/84/75/55/185847555.db2.gz NCSVSGYHAHNPPQ-CQSZACIVSA-N 1 0 314.223 2.469 10 0 DEAERO CCc1cc(NC(=O)NCC2CC[NH+](CCO)CC2)ccc1C ZINC000181986292 199372047 /nfs/dbraw/zinc/37/20/47/199372047.db2.gz FVXNFFQABVWQAU-UHFFFAOYSA-N 1 0 319.449 2.383 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC000162458990 539597014 /nfs/dbraw/zinc/59/70/14/539597014.db2.gz BURWDFXSGOAFBA-ZFWWWQNUSA-N 1 0 320.481 2.450 10 0 DEAERO CC(C)OC[C@@H](O)COc1ccc(C[NH3+])cc1Br ZINC000070099554 190858277 /nfs/dbraw/zinc/85/82/77/190858277.db2.gz ZRLWBENYNUFQFM-LLVKDONJSA-N 1 0 318.211 2.073 10 0 DEAERO C[NH2+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C)c(F)c1 ZINC000070192452 190870388 /nfs/dbraw/zinc/87/03/88/190870388.db2.gz WWYNFTIYUICHCG-CYBMUJFWSA-N 1 0 314.426 2.287 10 0 DEAERO CN1CCO[C@H](C[NH2+]C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000070287704 190877507 /nfs/dbraw/zinc/87/75/07/190877507.db2.gz CTKJDIUVVHYUBU-HIFRSBDPSA-N 1 0 300.324 2.228 10 0 DEAERO CC(C)CN1C(=O)[C@@]2(CCC[NH2+]C2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000616576544 362893605 /nfs/dbraw/zinc/89/36/05/362893605.db2.gz AIDUSTWOZMXKQX-AOIWGVFYSA-N 1 0 316.445 2.347 10 0 DEAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CN(CC[NH3+])CCO2)cc1 ZINC000616649293 362904462 /nfs/dbraw/zinc/90/44/62/362904462.db2.gz YPXZLGNJXXKOGV-HNNXBMFYSA-N 1 0 321.421 2.366 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1CC[NH3+] ZINC000616668356 362906320 /nfs/dbraw/zinc/90/63/20/362906320.db2.gz IQKDJNLZFFMPCI-CQSZACIVSA-N 1 0 305.422 2.291 10 0 DEAERO CC(C)[N@H+](C)CC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000175710642 539624925 /nfs/dbraw/zinc/62/49/25/539624925.db2.gz XCBDGYISKIJCNA-UHFFFAOYSA-N 1 0 306.410 2.173 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000176102983 539626172 /nfs/dbraw/zinc/62/61/72/539626172.db2.gz SMKLHNXTUYDEFL-NEPJUHHUSA-N 1 0 323.462 2.373 10 0 DEAERO CCOC1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000178728496 539637574 /nfs/dbraw/zinc/63/75/74/539637574.db2.gz YBZZUHXOEYFDPT-OAHLLOKOSA-N 1 0 311.470 2.317 10 0 DEAERO CCOc1ccccc1[C@@H](CC)[NH2+]C[C@H](O)CN1CCCC1=O ZINC000179741311 539642447 /nfs/dbraw/zinc/64/24/47/539642447.db2.gz YFKFOTFXDULKJH-GOEBONIOSA-N 1 0 320.433 2.109 10 0 DEAERO [NH3+]CCc1ncc(-c2ccccc2I)o1 ZINC000083554900 192372216 /nfs/dbraw/zinc/37/22/16/192372216.db2.gz RDFBAJWWZDHHGK-UHFFFAOYSA-N 1 0 314.126 2.447 10 0 DEAERO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CC1(CO)CC1 ZINC000186804847 539676525 /nfs/dbraw/zinc/67/65/25/539676525.db2.gz OJYCHQXFUBZWJQ-IWUURBKTSA-N 1 0 320.477 2.164 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000185956077 539673822 /nfs/dbraw/zinc/67/38/22/539673822.db2.gz MWBSOBWRQKQOHZ-VWSOIFEKSA-N 1 0 320.477 2.164 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)N(C)CCC[NH+](C)C ZINC000186328422 539675005 /nfs/dbraw/zinc/67/50/05/539675005.db2.gz SSXLYBRIWOIZDZ-HNNXBMFYSA-N 1 0 307.438 2.185 10 0 DEAERO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC000190390650 539695126 /nfs/dbraw/zinc/69/51/26/539695126.db2.gz AOOBEGIAPLYRON-IRXDYDNUSA-N 1 0 308.466 2.166 10 0 DEAERO NC(=[NH2+])c1cnc(Sc2ccc(Br)cn2)cn1 ZINC000083733097 192379761 /nfs/dbraw/zinc/37/97/61/192379761.db2.gz ZAJYBUZHDNJATK-UHFFFAOYSA-N 1 0 310.180 2.069 10 0 DEAERO [NH3+]C[C@H](NC[C@H]1CCCO1)c1ccc(Br)s1 ZINC000083774174 192382638 /nfs/dbraw/zinc/38/26/38/192382638.db2.gz KMQFJYVDTSCPCA-BDAKNGLRSA-N 1 0 305.241 2.279 10 0 DEAERO CC[C@](C)(O)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000083799448 192383734 /nfs/dbraw/zinc/38/37/34/192383734.db2.gz QMFDOLRLBCTBIE-CJNGLKHVSA-N 1 0 300.443 2.384 10 0 DEAERO COc1ccc([S@](=O)Cc2cc(C[NH3+])ccc2OC)cc1 ZINC000084002229 192395195 /nfs/dbraw/zinc/39/51/95/192395195.db2.gz XDGFZUPHRFMPRO-NRFANRHFSA-N 1 0 305.399 2.470 10 0 DEAERO O=C(C/C=C\c1ccc(F)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000255618103 282652554 /nfs/dbraw/zinc/65/25/54/282652554.db2.gz QJMGGKDELKODSB-VGOKWCNXSA-N 1 0 320.408 2.192 10 0 DEAERO Fc1cc(Br)cnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229537938 539732923 /nfs/dbraw/zinc/73/29/23/539732923.db2.gz AJNDAWFYKKPDCU-SNVBAGLBSA-N 1 0 300.175 2.268 10 0 DEAERO CCOC(=O)CCN(CCC[NH+](C)C)C(=O)c1cccs1 ZINC000071606458 190993438 /nfs/dbraw/zinc/99/34/38/190993438.db2.gz MLULWNMZXYVSEU-UHFFFAOYSA-N 1 0 312.435 2.095 10 0 DEAERO CCOC(=O)C[C@@H]([NH2+][C@H](C)CC)C(=O)c1ccc2c(c1)OCO2 ZINC000071660219 190999590 /nfs/dbraw/zinc/99/95/90/190999590.db2.gz RNRPCVYRXLEFHU-DGCLKSJQSA-N 1 0 321.373 2.308 10 0 DEAERO Cc1nccn1CC(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071736496 191019282 /nfs/dbraw/zinc/01/92/82/191019282.db2.gz PCTJUKWCACDUEM-QGZVFWFLSA-N 1 0 318.465 2.160 10 0 DEAERO COC(=O)c1ccc(Cl)c(N[C@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000133649637 186003658 /nfs/dbraw/zinc/00/36/58/186003658.db2.gz VJAOOIUTBKBXSB-ZYHUDNBSSA-N 1 0 312.797 2.306 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](C)OCC1CC1 ZINC000245868572 539759206 /nfs/dbraw/zinc/75/92/06/539759206.db2.gz QWUBRABEZVJFTI-GJZGRUSLSA-N 1 0 304.434 2.438 10 0 DEAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@H]2CCCO2)cc1F ZINC000245911571 539759360 /nfs/dbraw/zinc/75/93/60/539759360.db2.gz VLLVBYYEQFCXNQ-KCQAQPDRSA-N 1 0 308.397 2.468 10 0 DEAERO CC(=O)NC1CCN([C@H](c2ccccc2Cl)[C@H](C)[NH3+])CC1 ZINC000133737204 186010565 /nfs/dbraw/zinc/01/05/65/186010565.db2.gz VJRWGKWCLNGVCB-ZBEGNZNMSA-N 1 0 309.841 2.329 10 0 DEAERO CCCCN(CC)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138324074 186015485 /nfs/dbraw/zinc/01/54/85/186015485.db2.gz ZEYVAIBTPOXNMD-UHFFFAOYSA-N 1 0 306.378 2.234 10 0 DEAERO C[C@H](NC(=O)c1cc(N)ccc1Br)c1ncc[nH]1 ZINC000138375687 186016557 /nfs/dbraw/zinc/01/65/57/186016557.db2.gz JTMPRRXTQNOZQZ-ZETCQYMHSA-N 1 0 309.167 2.245 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(CC)C2CC2)c1 ZINC000138438358 186016898 /nfs/dbraw/zinc/01/68/98/186016898.db2.gz VGAFMAIZQUCHHV-UHFFFAOYSA-N 1 0 318.389 2.247 10 0 DEAERO COc1cc(C[C@H]([NH3+])c2ccc(Br)cc2)ncn1 ZINC000138621281 186017634 /nfs/dbraw/zinc/01/76/34/186017634.db2.gz AGLWNLXGNYQGIJ-LBPRGKRZSA-N 1 0 308.179 2.490 10 0 DEAERO CCc1nc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cs1 ZINC000139495492 186022089 /nfs/dbraw/zinc/02/20/89/186022089.db2.gz WRVCDWWUUIJGNT-GXTWGEPZSA-N 1 0 322.478 2.331 10 0 DEAERO [NH3+]CC1(c2nc(-c3ccc(Br)cn3)no2)CCC1 ZINC000139803501 186023748 /nfs/dbraw/zinc/02/37/48/186023748.db2.gz XXHIPGLLQZNVSF-UHFFFAOYSA-N 1 0 309.167 2.275 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](c2nc(-c3ccc(Br)cn3)no2)C1 ZINC000139800738 186023789 /nfs/dbraw/zinc/02/37/89/186023789.db2.gz LAORIQLYJMVNCE-VXNVDRBHSA-N 1 0 307.151 2.265 10 0 DEAERO CC[C@@H]1N[C@@H](c2ccsc2)N(C[C@@H]2CCC[N@@H+]2CC)C1=O ZINC000140310714 186026186 /nfs/dbraw/zinc/02/61/86/186026186.db2.gz GMEXUMAGBVZHRL-SOUVJXGZSA-N 1 0 307.463 2.441 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1ncccc1Br ZINC000140363572 186026781 /nfs/dbraw/zinc/02/67/81/186026781.db2.gz WQOVCYAHFGHSKK-SNVBAGLBSA-N 1 0 321.240 2.059 10 0 DEAERO CC(C)[C@@H]1N[C@H](c2ccsc2)N(C[C@@H]2CC[N@H+](C)C2)C1=O ZINC000142206181 186031722 /nfs/dbraw/zinc/03/17/22/186031722.db2.gz KMLBPNGJMIMYMQ-SNPRPXQTSA-N 1 0 307.463 2.155 10 0 DEAERO Cc1ccc([C@@H]2NC3(CC3)C(=O)N2C2CC[NH+](C)CC2)s1 ZINC000141194594 186029074 /nfs/dbraw/zinc/02/90/74/186029074.db2.gz SIJKXRVXRYDUNL-CQSZACIVSA-N 1 0 305.447 2.114 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]c4ccc(F)cc34)C[C@H]12 ZINC000248633791 539774831 /nfs/dbraw/zinc/77/48/31/539774831.db2.gz PTGSVFLCGBSUPJ-WKPIXPDZSA-N 1 0 301.365 2.045 10 0 DEAERO C[NH2+]Cc1ccc(Oc2ccc(S(C)(=O)=O)cc2)nc1C ZINC000148249956 186043805 /nfs/dbraw/zinc/04/38/05/186043805.db2.gz OSGSNJCNYHULGE-UHFFFAOYSA-N 1 0 306.387 2.305 10 0 DEAERO C[NH2+][C@H](C)c1ccc(N2CCN(CC(F)(F)F)CC2)cn1 ZINC000148568327 186044786 /nfs/dbraw/zinc/04/47/86/186044786.db2.gz LVPZCFVRAMQVSU-LLVKDONJSA-N 1 0 302.344 2.046 10 0 DEAERO CN(C1CCC1)S(=O)(=O)c1cc(Cl)cc(C[NH3+])c1F ZINC000144669998 186035716 /nfs/dbraw/zinc/03/57/16/186035716.db2.gz NOPIZLFYWUYRLA-UHFFFAOYSA-N 1 0 306.790 2.111 10 0 DEAERO CN(C1CCC1)S(=O)(=O)c1cc(F)c(Cl)c(C[NH3+])c1 ZINC000144607751 186035768 /nfs/dbraw/zinc/03/57/68/186035768.db2.gz GWTTYVONUZGPJV-UHFFFAOYSA-N 1 0 306.790 2.111 10 0 DEAERO COc1cccc(CCC(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000149078774 186047900 /nfs/dbraw/zinc/04/79/00/186047900.db2.gz ICZMGYRRPUHCRX-UHFFFAOYSA-N 1 0 302.418 2.325 10 0 DEAERO CC[NH2+]C1CCN(S(=O)(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000149256347 186048437 /nfs/dbraw/zinc/04/84/37/186048437.db2.gz IWYBZSPFLBNPEN-CQSZACIVSA-N 1 0 310.463 2.194 10 0 DEAERO C[C@@H](CS(=O)(=O)N[C@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000149374829 186049431 /nfs/dbraw/zinc/04/94/31/186049431.db2.gz FVAQHDVQRIEQKV-LZWOXQAQSA-N 1 0 310.463 2.240 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000149423593 186049593 /nfs/dbraw/zinc/04/95/93/186049593.db2.gz NRNDAHZBACDBJU-CYBMUJFWSA-N 1 0 309.841 2.364 10 0 DEAERO C[NH2+]C1CCC(NS(=O)(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000149366533 186049708 /nfs/dbraw/zinc/04/97/08/186049708.db2.gz WQXDNQXKYXPYTK-IUDNXUCKSA-N 1 0 310.463 2.240 10 0 DEAERO CC[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000150147819 186054830 /nfs/dbraw/zinc/05/48/30/186054830.db2.gz FIDPZPIVEIPWIZ-SMDDNHRTSA-N 1 0 317.838 2.434 10 0 DEAERO CCC[NH2+][C@@H](Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000150186122 186055481 /nfs/dbraw/zinc/05/54/81/186055481.db2.gz YYWDIRBHBXIFII-OLZOCXBDSA-N 1 0 316.492 2.105 10 0 DEAERO CC(C)NC(=O)CN1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000182028625 199376032 /nfs/dbraw/zinc/37/60/32/199376032.db2.gz OQEJFSGAMDNLJB-KRWDZBQOSA-N 1 0 317.477 2.007 10 0 DEAERO NC(=O)c1csc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000152689154 186097339 /nfs/dbraw/zinc/09/73/39/186097339.db2.gz BFDZNBVSQFDJTN-UHFFFAOYSA-N 1 0 307.463 2.155 10 0 DEAERO CCc1noc(C)c1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000155719084 186106228 /nfs/dbraw/zinc/10/62/28/186106228.db2.gz KIONYBOSFNCFJD-GXTWGEPZSA-N 1 0 306.410 2.493 10 0 DEAERO C[C@@H]1CN(C(=O)c2cccc(F)c2Br)CC[NH2+]1 ZINC000155725131 186106775 /nfs/dbraw/zinc/10/67/75/186106775.db2.gz QCUQCQURFBVFAM-MRVPVSSYSA-N 1 0 301.159 2.022 10 0 DEAERO Cc1cc(C)cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000155812312 186114929 /nfs/dbraw/zinc/11/49/29/186114929.db2.gz FNHSULMXVWKXRP-INIZCTEOSA-N 1 0 310.463 2.489 10 0 DEAERO Cc1ccc(Br)c(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])c1 ZINC000163966494 186144302 /nfs/dbraw/zinc/14/43/02/186144302.db2.gz FMSDPADXUWQUGQ-WCQYABFASA-N 1 0 313.195 2.060 10 0 DEAERO [NH3+]C[C@H]1CCN(C(=O)c2cccc(F)c2Br)C1 ZINC000155979441 186124724 /nfs/dbraw/zinc/12/47/24/186124724.db2.gz OHXGCIXDGUVILR-MRVPVSSYSA-N 1 0 301.159 2.009 10 0 DEAERO CCc1nnc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C ZINC000171502445 186169593 /nfs/dbraw/zinc/16/95/93/186169593.db2.gz LBCKJSOBTMPCTJ-MRXNPFEDSA-N 1 0 319.497 2.466 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2[C@H](C)C[C@@H]1S(=O)(=O)CCOC ZINC000164292315 186155392 /nfs/dbraw/zinc/15/53/92/186155392.db2.gz PBPAAKUSIGVTNS-UHOFOFEASA-N 1 0 311.447 2.274 10 0 DEAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)c2c(Br)cnn2C)C1 ZINC000164350518 186156720 /nfs/dbraw/zinc/15/67/20/186156720.db2.gz VDEXRSAEUHJUGW-PELKAZGASA-N 1 0 300.200 2.273 10 0 DEAERO CCn1ncc(Br)c1C(=O)c1ccccc1CC[NH3+] ZINC000164331067 186157034 /nfs/dbraw/zinc/15/70/34/186157034.db2.gz LLZDHLLIUNVACX-UHFFFAOYSA-N 1 0 322.206 2.398 10 0 DEAERO Cc1ccc(N)c(C(=O)c2c(Cl)cnn2CC[NH+](C)C)c1 ZINC000164384432 186157854 /nfs/dbraw/zinc/15/78/54/186157854.db2.gz KZKQEFYERLJOBY-UHFFFAOYSA-N 1 0 306.797 2.220 10 0 DEAERO Cc1cccc2c(CC[NH2+]C3CCN(C(N)=O)CC3)c[nH]c21 ZINC000164405748 186158435 /nfs/dbraw/zinc/15/84/35/186158435.db2.gz JVEYVPUQJHPGNZ-UHFFFAOYSA-N 1 0 300.406 2.152 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000188005077 186242144 /nfs/dbraw/zinc/24/21/44/186242144.db2.gz IZBKRMNAGARIEO-SGTLLEGYSA-N 1 0 317.385 2.482 10 0 DEAERO O=C(NCCSc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171898860 198003576 /nfs/dbraw/zinc/00/35/76/198003576.db2.gz WHWCVDQXYGQMNC-AWEZNQCLSA-N 1 0 305.447 2.268 10 0 DEAERO O=C(NCc1ccc(F)c(Cl)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171906456 198006244 /nfs/dbraw/zinc/00/62/44/198006244.db2.gz OHQSNBXOXMNOTH-LBPRGKRZSA-N 1 0 311.788 2.469 10 0 DEAERO O=C1[C@H](N2C[C@H]3CCC[C@@H](C2)C3O)CCN1c1ccccc1F ZINC000172045592 198030037 /nfs/dbraw/zinc/03/00/37/198030037.db2.gz WQRZIWFCTKKRNY-RIRPEUGRSA-N 1 0 318.392 2.024 10 0 DEAERO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)n1cnc2ccccc21 ZINC000172058500 198032970 /nfs/dbraw/zinc/03/29/70/198032970.db2.gz VRFPLHAQYKQRHR-RBSFLKMASA-N 1 0 312.417 2.292 10 0 DEAERO Fc1cc(Br)cnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000300419306 539860315 /nfs/dbraw/zinc/86/03/15/539860315.db2.gz AJNDAWFYKKPDCU-JTQLQIEISA-N 1 0 300.175 2.268 10 0 DEAERO COc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)cc1 ZINC000072897502 191249485 /nfs/dbraw/zinc/24/94/85/191249485.db2.gz SXWYWASIEDJDFI-OLZOCXBDSA-N 1 0 319.405 2.464 10 0 DEAERO NC(=O)c1cc([C@@H]2CCC[N@@H+]([C@H]3C[C@H]3c3ccccc3)C2)n[nH]1 ZINC000329845865 539930799 /nfs/dbraw/zinc/93/07/99/539930799.db2.gz YBCIQZAAZWMUGZ-KEYYUXOJSA-N 1 0 310.401 2.244 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000173270864 198204396 /nfs/dbraw/zinc/20/43/96/198204396.db2.gz VZKZPPKNXXRKQQ-AAEUAGOBSA-N 1 0 316.854 2.443 10 0 DEAERO CC(C)C[C@@H](C)Oc1cc(CNC(=O)[C@H]2CCC[NH2+]2)ccn1 ZINC000236749399 201991799 /nfs/dbraw/zinc/99/17/99/201991799.db2.gz RTWNJNLDHVCWNQ-UKRRQHHQSA-N 1 0 305.422 2.263 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccccc2Cl)CC[N@@H+]1C ZINC000173275753 198205525 /nfs/dbraw/zinc/20/55/25/198205525.db2.gz NBORUHCYBRAEKI-NEPJUHHUSA-N 1 0 316.854 2.443 10 0 DEAERO CCC[C@H](C)CC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173411654 198212085 /nfs/dbraw/zinc/21/20/85/198212085.db2.gz PRMQXDSNBYXGGB-UONOGXRCSA-N 1 0 319.453 2.430 10 0 DEAERO Cn1nccc1C1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000191978599 282861407 /nfs/dbraw/zinc/86/14/07/282861407.db2.gz LGVAICYCWSCRHY-AWEZNQCLSA-N 1 0 303.406 2.085 10 0 DEAERO O[C@H](C[NH2+]Cc1ccn(Cc2ccccc2)n1)CC(F)(F)F ZINC000307953270 282864845 /nfs/dbraw/zinc/86/48/45/282864845.db2.gz XISWDEOLKCOHRQ-AWEZNQCLSA-N 1 0 313.323 2.334 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)Cc2ccccc2O1 ZINC000333677265 539968508 /nfs/dbraw/zinc/96/85/08/539968508.db2.gz OFUNRLLTAYFVKP-HIFRSBDPSA-N 1 0 303.406 2.121 10 0 DEAERO Cc1csc([C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C2CC2)n1 ZINC000173914447 198268401 /nfs/dbraw/zinc/26/84/01/198268401.db2.gz IOOWLHVFDRZKBR-OLZOCXBDSA-N 1 0 308.451 2.248 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(SC)c(OC)c2)CC1 ZINC000174075182 198288022 /nfs/dbraw/zinc/28/80/22/198288022.db2.gz DRUSRFMTUDEESQ-HNNXBMFYSA-N 1 0 324.490 2.306 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000174073315 198288302 /nfs/dbraw/zinc/28/83/02/198288302.db2.gz AJOHKNQWLNTFFQ-QGZVFWFLSA-N 1 0 315.417 2.230 10 0 DEAERO Cc1ccc(C(C)(C)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000174346842 198322179 /nfs/dbraw/zinc/32/21/79/198322179.db2.gz JJSGOPJNDLECEY-JKSUJKDBSA-N 1 0 318.461 2.186 10 0 DEAERO CC[C@@H]1CN(C(=O)c2cccc(C)c2C)CC[N@@H+]1C[C@@H](C)O ZINC000174611732 198358477 /nfs/dbraw/zinc/35/84/77/198358477.db2.gz PAIYNIIEJJCOBH-GDBMZVCRSA-N 1 0 304.434 2.221 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2cccc(O)c2)CC[N@@H+]1C ZINC000174616287 198359861 /nfs/dbraw/zinc/35/98/61/198359861.db2.gz GAEJHGHKAOHXPU-HIFRSBDPSA-N 1 0 305.422 2.059 10 0 DEAERO COc1ccc([C@@H](O)C[N@H+](C)Cc2ccccc2N)cc1OC ZINC000039375013 354168310 /nfs/dbraw/zinc/16/83/10/354168310.db2.gz XOJFVTPWEZEOND-INIZCTEOSA-N 1 0 316.401 2.451 10 0 DEAERO O=C([C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)N1CCOCC1 ZINC000038832727 354168759 /nfs/dbraw/zinc/16/87/59/354168759.db2.gz HEUVRDGSGVLDAT-HNNXBMFYSA-N 1 0 322.836 2.411 10 0 DEAERO OCC[NH+]1CCN(c2cccc(SC(F)(F)F)c2)CC1 ZINC000033823958 354159916 /nfs/dbraw/zinc/15/99/16/354159916.db2.gz GDWMKVGPQHNIGJ-UHFFFAOYSA-N 1 0 306.353 2.413 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc2c1CN(C)C2=O ZINC000334011643 283019776 /nfs/dbraw/zinc/01/97/76/283019776.db2.gz VRFCOAJLSMLGBW-INIZCTEOSA-N 1 0 315.417 2.474 10 0 DEAERO C[N@H+](CCNC(=O)CN1CCCCCCC1=O)C1CCCCC1 ZINC000068900141 354838328 /nfs/dbraw/zinc/83/83/28/354838328.db2.gz MNHITTYBZITRHQ-UHFFFAOYSA-N 1 0 323.481 2.160 10 0 DEAERO C[C@H](O)CC(C)(C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075314400 355080208 /nfs/dbraw/zinc/08/02/08/355080208.db2.gz PFQFHUJITPRCLO-AVOUXACISA-N 1 0 311.470 2.098 10 0 DEAERO CCc1c(C)nc(-n2nc(C)cc2C)nc1NC1CC[NH2+]CC1 ZINC000073663053 191339261 /nfs/dbraw/zinc/33/92/61/191339261.db2.gz POEFYHAHXZICCB-UHFFFAOYSA-N 1 0 314.437 2.314 10 0 DEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000073717272 191347337 /nfs/dbraw/zinc/34/73/37/191347337.db2.gz ZFOPWBXJVVWICS-CHWSQXEVSA-N 1 0 306.406 2.365 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(c2cncc(-n3nc(C)cc3C)n2)C1 ZINC000078576105 355268521 /nfs/dbraw/zinc/26/85/21/355268521.db2.gz OCKRZEAZRMYFCR-HNNXBMFYSA-N 1 0 314.437 2.200 10 0 DEAERO CC(=O)Nc1ccc(C(=O)N2CC[NH+]([C@H](C)C3CC3)CC2)cc1 ZINC000074884387 191378797 /nfs/dbraw/zinc/37/87/97/191378797.db2.gz LKNJWJQJYATODW-CYBMUJFWSA-N 1 0 315.417 2.201 10 0 DEAERO C[N@@H+](Cc1ccc(CO)cc1)C[C@H]1CCCN1c1cccnn1 ZINC000364977363 283108147 /nfs/dbraw/zinc/10/81/47/283108147.db2.gz GKWCDNAJNOTLDK-QGZVFWFLSA-N 1 0 312.417 2.070 10 0 DEAERO O=C1[C@@H]([NH2+][C@H]2CCCc3sccc32)CCN1C1CCOCC1 ZINC000367412115 283113554 /nfs/dbraw/zinc/11/35/54/283113554.db2.gz GJNWUIYIKVSTKM-GJZGRUSLSA-N 1 0 320.458 2.495 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2noc3c2CCCC3)C[C@H]1CC ZINC000108867488 355738700 /nfs/dbraw/zinc/73/87/00/355738700.db2.gz VBISRIUYLHHLMT-OAHLLOKOSA-N 1 0 321.465 2.486 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1Nc1nc(-c2ccccc2)c2c(=O)[nH]cc-2[nH]1 ZINC000117717363 355777885 /nfs/dbraw/zinc/77/78/85/355777885.db2.gz JGNFRPZOVOEHCX-QWHCGFSZSA-N 1 0 323.400 2.069 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000125817906 355813195 /nfs/dbraw/zinc/81/31/95/355813195.db2.gz DMNWLGXUEUGELX-MRXNPFEDSA-N 1 0 321.465 2.146 10 0 DEAERO NC1=[NH+][C@@](CF)(c2cc(Br)ccc2F)COC1 ZINC000145397443 355906017 /nfs/dbraw/zinc/90/60/17/355906017.db2.gz FPKWJVUFMJQHHX-LLVKDONJSA-N 1 0 305.122 2.140 10 0 DEAERO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2Cc3ccc(N)cc3C2)CC1 ZINC000146807305 355909496 /nfs/dbraw/zinc/90/94/96/355909496.db2.gz ZSKAITCFCCLVSW-MRXNPFEDSA-N 1 0 317.433 2.289 10 0 DEAERO C[C@@H](NC(=O)Nc1nncs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180856969 356063699 /nfs/dbraw/zinc/06/36/99/356063699.db2.gz ZWDXNUFEBGCOPY-GHMZBOCLSA-N 1 0 309.439 2.313 10 0 DEAERO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182032167 356106065 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C[NH2+][C@@H](C)c1csc(N2CCN(c3ccccn3)CC2)n1 ZINC000080804614 192192596 /nfs/dbraw/zinc/19/25/96/192192596.db2.gz QBTIUDJUSOROBJ-LBPRGKRZSA-N 1 0 303.435 2.145 10 0 DEAERO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccnn2C)cc1 ZINC000225546053 356276714 /nfs/dbraw/zinc/27/67/14/356276714.db2.gz JXTZPCVZWCWXAV-ZWKOTPCHSA-N 1 0 315.417 2.301 10 0 DEAERO Brc1ccc2ncn(CCN3CCOCC3)c2c1 ZINC000226072935 356277968 /nfs/dbraw/zinc/27/79/68/356277968.db2.gz ULIQDPUBTODBLI-UHFFFAOYSA-N 1 0 310.195 2.131 10 0 DEAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCSc3ccc(N)cc32)C1 ZINC000080747126 192187823 /nfs/dbraw/zinc/18/78/23/192187823.db2.gz AKNRAQFWVCYYJF-CQSZACIVSA-N 1 0 307.463 2.290 10 0 DEAERO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC000194855740 356245734 /nfs/dbraw/zinc/24/57/34/356245734.db2.gz YCRPINAXGUTAPZ-QGZVFWFLSA-N 1 0 312.454 2.202 10 0 DEAERO COc1cccc(OC)c1C(=O)Nc1nc([C@H](C)[NH3+])cs1 ZINC000080863056 192196871 /nfs/dbraw/zinc/19/68/71/192196871.db2.gz XDFIGUSXRMDEHZ-QMMMGPOBSA-N 1 0 307.375 2.432 10 0 DEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3cncc(Br)c3)C[C@H]2C1 ZINC000398741942 283149691 /nfs/dbraw/zinc/14/96/91/283149691.db2.gz PSJFXYNHDUKTKK-OUCADQQQSA-N 1 0 311.223 2.437 10 0 DEAERO [NH3+]Cc1ccc(OC(F)(F)F)nc1I ZINC000238682667 356305250 /nfs/dbraw/zinc/30/52/50/356305250.db2.gz PZEYWSGJCQCZBZ-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO CCCN(C1(C[NH3+])CCC(CC)CC1)S(=O)(=O)C1CC1 ZINC000080935312 192202449 /nfs/dbraw/zinc/20/24/49/192202449.db2.gz DDBXEBROHJTLIM-UHFFFAOYSA-N 1 0 302.484 2.488 10 0 DEAERO C[C@H]1CCC[C@]([NH3+])(CNCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000080934496 192203241 /nfs/dbraw/zinc/20/32/41/192203241.db2.gz SDFWYGIEIAICAO-XJKSGUPXSA-N 1 0 310.463 2.087 10 0 DEAERO CC[C@]1(CO)CCC[N@H+](C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000249581437 356330555 /nfs/dbraw/zinc/33/05/55/356330555.db2.gz RGQYUUZINJPGFK-AEFFLSMTSA-N 1 0 307.434 2.219 10 0 DEAERO COC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000249784780 356331545 /nfs/dbraw/zinc/33/15/45/356331545.db2.gz LXHHPXROKBOPSR-IUODEOHRSA-N 1 0 309.385 2.304 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000252441996 356333501 /nfs/dbraw/zinc/33/35/01/356333501.db2.gz FYUFMLWIAFPIIA-PVAVHDDUSA-N 1 0 301.434 2.431 10 0 DEAERO COC(=O)C[C@@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1cccs1 ZINC000081015159 192214292 /nfs/dbraw/zinc/21/42/92/192214292.db2.gz YXJUDTYPLMLKHC-NWDGAFQWSA-N 1 0 310.419 2.001 10 0 DEAERO C[C@@H]([NH2+]CCCCCO)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400710049 283158444 /nfs/dbraw/zinc/15/84/44/283158444.db2.gz DMNRRGONQLLFCD-ZIAGYGMSSA-N 1 0 300.443 2.384 10 0 DEAERO C[C@H](O)CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400739688 283158659 /nfs/dbraw/zinc/15/86/59/283158659.db2.gz KVBANPDDBGCDQA-IHRRRGAJSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400471776 283157040 /nfs/dbraw/zinc/15/70/40/283157040.db2.gz YDZIFHWWVDAHDS-XUXIUFHCSA-N 1 0 300.443 2.381 10 0 DEAERO 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318.377 2.114 10 0 DEAERO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc2c1OCOC2 ZINC000081527281 192283284 /nfs/dbraw/zinc/28/32/84/192283284.db2.gz SHFQMUHMEVOJQK-JTQLQIEISA-N 1 0 312.797 2.020 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCn2cnnc2C1 ZINC000081531244 192284407 /nfs/dbraw/zinc/28/44/07/192284407.db2.gz NODHFQKVZSOXJC-DZGCQCFKSA-N 1 0 305.813 2.226 10 0 DEAERO C[NH2+][C@H](CCN1CCn2cnnc2C1)c1ccccc1Cl ZINC000081541506 192285751 /nfs/dbraw/zinc/28/57/51/192285751.db2.gz XLZUQLYWFDYDFQ-CQSZACIVSA-N 1 0 305.813 2.098 10 0 DEAERO CCN(CC)C(=O)c1cccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000236825025 202028940 /nfs/dbraw/zinc/02/89/40/202028940.db2.gz ZKHWLVCGJUBQPU-LSDHHAIUSA-N 1 0 303.406 2.235 10 0 DEAERO CC(C)C[NH+]1CCN(c2nnc(Br)s2)CC1 ZINC000081664799 192309458 /nfs/dbraw/zinc/30/94/58/192309458.db2.gz LVHGKWOQXDLCCO-UHFFFAOYSA-N 1 0 305.245 2.079 10 0 DEAERO CC(C)(NC(=O)CC1C[NH2+]C1)c1ccc(Br)cc1 ZINC000081747100 192320538 /nfs/dbraw/zinc/32/05/38/192320538.db2.gz CRZANTHCWSFLNO-UHFFFAOYSA-N 1 0 311.223 2.410 10 0 DEAERO CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)CCCCCC[NH3+])C1 ZINC000236943836 202085269 /nfs/dbraw/zinc/08/52/69/202085269.db2.gz USLIMPOIKMNSST-CKNLXJGOSA-N 1 0 302.484 2.092 10 0 DEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236949722 202088398 /nfs/dbraw/zinc/08/83/98/202088398.db2.gz IJGCYDSNHBSYDB-GXSJLCMTSA-N 1 0 309.797 2.156 10 0 DEAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000086025631 192545492 /nfs/dbraw/zinc/54/54/92/192545492.db2.gz KQUVQHLVDJHRPV-RNCFNFMXSA-N 1 0 305.802 2.044 10 0 DEAERO CCCN(CCC)C(=O)CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236973456 202102887 /nfs/dbraw/zinc/10/28/87/202102887.db2.gz YYHQPFQSUAVOCU-XYPWUTKMSA-N 1 0 323.481 2.157 10 0 DEAERO [NH3+][C@H]1C=C[C@H](C(=O)NCc2ccc(Br)s2)C1 ZINC000086090941 192547939 /nfs/dbraw/zinc/54/79/39/192547939.db2.gz BXBLWEYVIMRVNV-YUMQZZPRSA-N 1 0 301.209 2.030 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)NCc2cc(Br)cs2)C1 ZINC000086093239 192548212 /nfs/dbraw/zinc/54/82/12/192548212.db2.gz PBSUEUXHGPJKJX-VXNVDRBHSA-N 1 0 301.209 2.030 10 0 DEAERO COC(=O)c1cncnc1N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381045020 356669703 /nfs/dbraw/zinc/66/97/03/356669703.db2.gz FMZFRVCIQSYPQP-ZDUSSCGKSA-N 1 0 314.389 2.196 10 0 DEAERO CC[C@@H]1CN(c2ncc(Br)cc2C#N)CC[C@@H]1[NH3+] ZINC000386097397 356694342 /nfs/dbraw/zinc/69/43/42/356694342.db2.gz JCTWOHMPSLJHGD-SKDRFNHKSA-N 1 0 309.211 2.279 10 0 DEAERO CCCc1noc([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2[NH3+])n1 ZINC000409422150 356736421 /nfs/dbraw/zinc/73/64/21/356736421.db2.gz CBMUYPNOIZTPTB-MNOVXSKESA-N 1 0 310.398 2.074 10 0 DEAERO CN(C)c1ccc([C@@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000409421945 356736542 /nfs/dbraw/zinc/73/65/42/356736542.db2.gz AEXFTXSFDBNRHA-GJZGRUSLSA-N 1 0 305.422 2.333 10 0 DEAERO COc1ccc(C(=O)N2C[C@H]([NH3+])CC[C@H]2C(F)(F)F)c(F)c1 ZINC000393353369 356713109 /nfs/dbraw/zinc/71/31/09/356713109.db2.gz RIKCUFPPHFYVKL-PELKAZGASA-N 1 0 320.286 2.329 10 0 DEAERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnccc1N(C)C ZINC000248422379 295934715 /nfs/dbraw/zinc/93/47/15/295934715.db2.gz CFZGHEALGYOXHP-KFWWJZLASA-N 1 0 318.465 2.244 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000579785308 357029095 /nfs/dbraw/zinc/02/90/95/357029095.db2.gz VBZWMBJUTQUFDO-ZNMIVQPWSA-N 1 0 318.417 2.206 10 0 DEAERO CC[C@H]1CCCCN1S(=O)(=O)c1cc(C)c(C[NH3+])s1 ZINC000088942219 192663054 /nfs/dbraw/zinc/66/30/54/192663054.db2.gz PDYFGLGRECLFLV-NSHDSACASA-N 1 0 302.465 2.468 10 0 DEAERO CCCN(C)S(=O)(=O)c1cc(C[NH2+]CC)n(C(C)C)c1 ZINC000088946915 192664646 /nfs/dbraw/zinc/66/46/46/192664646.db2.gz BQQTUWOIXKPYHN-UHFFFAOYSA-N 1 0 301.456 2.209 10 0 DEAERO O=C(NCCOCC1CCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000584694363 357291522 /nfs/dbraw/zinc/29/15/22/357291522.db2.gz UEJXFPNQQZGKMU-QGZVFWFLSA-N 1 0 323.481 2.463 10 0 DEAERO CCC[NH2+]Cc1sccc1S(=O)(=O)N1CCC[C@@H]1C ZINC000088971821 192676218 /nfs/dbraw/zinc/67/62/18/192676218.db2.gz MPORWLQZGSQGSA-NSHDSACASA-N 1 0 302.465 2.421 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2ncsc2Br)CC[N@@H+]1C ZINC000581962732 357276033 /nfs/dbraw/zinc/27/60/33/357276033.db2.gz ACKCSGCTKLFMGE-JGVFFNPUSA-N 1 0 318.240 2.118 10 0 DEAERO CCC1CCN(S(=O)(=O)c2ccc(CCC[NH3+])cc2)CC1 ZINC000088988949 192683783 /nfs/dbraw/zinc/68/37/83/192683783.db2.gz FSKLJEFYDFRYAL-UHFFFAOYSA-N 1 0 310.463 2.389 10 0 DEAERO Cn1c(Br)c(Br)nc1C[NH2+]C1CC1 ZINC000584881703 357324366 /nfs/dbraw/zinc/32/43/66/357324366.db2.gz NDMTVRDCSGUDLR-UHFFFAOYSA-N 1 0 309.005 2.197 10 0 DEAERO CC(C)CNC(=O)NC(=O)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000585754739 357352856 /nfs/dbraw/zinc/35/28/56/357352856.db2.gz YQIYFXCRTYMXOI-UHFFFAOYSA-N 1 0 305.422 2.335 10 0 DEAERO CCC(O)(CC)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179476415 199042023 /nfs/dbraw/zinc/04/20/23/199042023.db2.gz PKAUSUYETFFABR-HZPDHXFCSA-N 1 0 319.449 2.282 10 0 DEAERO C[C@H]1C[C@H](CC[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)C[C@@H](C)C1 ZINC000408245656 291120058 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CCC[NH2+]C[C@H](O)Cc1c(Br)c(CC)nn1CC ZINC000091467840 193060740 /nfs/dbraw/zinc/06/07/40/193060740.db2.gz XEGGDWHZKKEXCX-SNVBAGLBSA-N 1 0 318.259 2.131 10 0 DEAERO C[NH2+]CC1CC(Oc2ccc(C(F)(F)F)cc2C(N)=O)C1 ZINC000091477252 193062102 /nfs/dbraw/zinc/06/21/02/193062102.db2.gz FBTOKFXZLPUCBU-UHFFFAOYSA-N 1 0 302.296 2.181 10 0 DEAERO COCCN1CC[C@H]([NH3+])[C@@H]1c1ccc(Br)c(C)c1 ZINC000091476685 193062418 /nfs/dbraw/zinc/06/24/18/193062418.db2.gz ZRUUDXHFJUPDCG-KBPBESRZSA-N 1 0 313.239 2.478 10 0 DEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(Br)c(C)n1 ZINC000091507088 193066054 /nfs/dbraw/zinc/06/60/54/193066054.db2.gz AIFHSVBGHPKRAB-HQJQHLMTSA-N 1 0 300.200 2.464 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)C1(N(C)C)CCCCCC1 ZINC000091654376 193085123 /nfs/dbraw/zinc/08/51/23/193085123.db2.gz YVPNYYVUGMDMPU-OAHLLOKOSA-N 1 0 318.527 2.444 10 0 DEAERO C[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721365 193096572 /nfs/dbraw/zinc/09/65/72/193096572.db2.gz XWLJAFJDQAYHFV-BMFZPTHFSA-N 1 0 312.816 2.473 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000624415465 365416124 /nfs/dbraw/zinc/41/61/24/365416124.db2.gz KYINRVMZBXPIFV-WRWORJQWSA-N 1 0 309.218 2.022 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1c(F)cccc1F ZINC000091850610 193117750 /nfs/dbraw/zinc/11/77/50/193117750.db2.gz HBXJYPYNTPNHJX-UHFFFAOYSA-N 1 0 318.389 2.245 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000091870000 193121089 /nfs/dbraw/zinc/12/10/89/193121089.db2.gz OTSVWGIVACOEIL-UHFFFAOYSA-N 1 0 318.389 2.116 10 0 DEAERO C[NH2+]C1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000091872465 193121341 /nfs/dbraw/zinc/12/13/41/193121341.db2.gz XBMYEXVPFWVGOQ-UHFFFAOYSA-N 1 0 302.827 2.149 10 0 DEAERO CC(C)C[NH2+]Cc1ncoc1-c1cccc(S(C)(=O)=O)c1 ZINC000091959405 193133092 /nfs/dbraw/zinc/13/30/92/193133092.db2.gz YNIWBLDSGFFWGQ-UHFFFAOYSA-N 1 0 308.403 2.491 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)N2CCOCC2)cc1C(F)(F)F ZINC000091970153 193133813 /nfs/dbraw/zinc/13/38/13/193133813.db2.gz HOPOPMYUWKUYSA-UHFFFAOYSA-N 1 0 303.284 2.028 10 0 DEAERO Cc1ccc([C@H](NC(=O)N2C[C@H](C)[C@H](C[NH3+])C2)C(F)(F)F)o1 ZINC000630078408 367461195 /nfs/dbraw/zinc/46/11/95/367461195.db2.gz TZQYZCNPNDCTNF-XRNSZHNASA-N 1 0 319.327 2.428 10 0 DEAERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=S)cc2)C[C@H]1C ZINC000092085466 193155312 /nfs/dbraw/zinc/15/53/12/193155312.db2.gz AAMNQHCBMZMWFF-TXEJJXNPSA-N 1 0 305.447 2.237 10 0 DEAERO Cc1oc(C[NH2+]C(C)C)cc1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113499 193161057 /nfs/dbraw/zinc/16/10/57/193161057.db2.gz OQGCUCQFXPRFKN-VXGBXAGGSA-N 1 0 314.451 2.363 10 0 DEAERO CC[NH2+]Cc1cccc(CS(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092113844 193161684 /nfs/dbraw/zinc/16/16/84/193161684.db2.gz KMBURMIHYAYIID-OKILXGFUSA-N 1 0 310.463 2.214 10 0 DEAERO COc1ccc(Br)c(CN2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838505 368415691 /nfs/dbraw/zinc/41/56/91/368415691.db2.gz PLZGAQYCCDCRRS-JQWIXIFHSA-N 1 0 313.239 2.484 10 0 DEAERO C[C@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC000631844098 368418994 /nfs/dbraw/zinc/41/89/94/368418994.db2.gz VBWQLNWPQQOBPJ-UWVGGRQHSA-N 1 0 316.232 2.459 10 0 DEAERO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000631845070 368421117 /nfs/dbraw/zinc/42/11/17/368421117.db2.gz SDHDBBHFGVGDDR-ZJUUUORDSA-N 1 0 316.232 2.459 10 0 DEAERO COC[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451573228 243140844 /nfs/dbraw/zinc/14/08/44/243140844.db2.gz UFUGFHILBFHKPD-JSGCOSHPSA-N 1 0 314.223 2.246 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)c(F)c1 ZINC000631960630 368467814 /nfs/dbraw/zinc/46/78/14/368467814.db2.gz UBNBZWUJUSPNMR-GFCCVEGCSA-N 1 0 300.399 2.026 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cccc(SC(F)F)c2)O1 ZINC000261701076 203097528 /nfs/dbraw/zinc/09/75/28/203097528.db2.gz IDYYSJQKESHQCN-KOLCDFICSA-N 1 0 302.346 2.446 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1c(F)cccc1Cl ZINC000261922675 203153574 /nfs/dbraw/zinc/15/35/74/203153574.db2.gz YWMXIBALCGETRO-LNLATYFQSA-N 1 0 300.761 2.163 10 0 DEAERO CN[C@H](C(=O)N[C@H](C)c1ccc(C)cc1C)c1cnn(C)c1 ZINC000262065658 203189696 /nfs/dbraw/zinc/18/96/96/203189696.db2.gz IYFPEAFGCZAOJF-CJNGLKHVSA-N 1 0 300.406 2.175 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000262141813 203210048 /nfs/dbraw/zinc/21/00/48/203210048.db2.gz PJDJAGBYMJQAFX-WHOFXGATSA-N 1 0 309.841 2.408 10 0 DEAERO CC[NH2+]C[C@@H](c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000093147620 193208070 /nfs/dbraw/zinc/20/80/70/193208070.db2.gz SLQNZSOOVMOYBG-OCCSQVGLSA-N 1 0 301.839 2.468 10 0 DEAERO CN1CCN(C(=O)CC2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000093142280 193207137 /nfs/dbraw/zinc/20/71/37/193207137.db2.gz SVRMGPHBYQTHRB-GOSISDBHSA-N 1 0 319.493 2.219 10 0 DEAERO CC[NH2+]C[C@@H](c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000093180001 193211689 /nfs/dbraw/zinc/21/16/89/193211689.db2.gz BFLJQXGXZPCEMI-DGCLKSJQSA-N 1 0 301.839 2.468 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)NCCCc1cc(OC)ccc1OC ZINC000262578846 203336986 /nfs/dbraw/zinc/33/69/86/203336986.db2.gz PQDWNWADCPVLEG-QGZVFWFLSA-N 1 0 308.422 2.270 10 0 DEAERO Cc1nn(C)c(CO[C@@H]2CCC[C@H]([NH3+])C2)c1Br ZINC000093217945 193217660 /nfs/dbraw/zinc/21/76/60/193217660.db2.gz ZBTBWYFUIIDJBS-VHSXEESVSA-N 1 0 302.216 2.278 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000093264171 193221576 /nfs/dbraw/zinc/22/15/76/193221576.db2.gz BKBIGNORIIOWKU-LLVKDONJSA-N 1 0 304.481 2.306 10 0 DEAERO [NH2+]=C1NC[C@@H](c2cccc(Br)c2)N1C[C@@H]1CCCO1 ZINC000093377897 193240612 /nfs/dbraw/zinc/24/06/12/193240612.db2.gz NHMIHBAHQAVKNK-STQMWFEESA-N 1 0 324.222 2.300 10 0 DEAERO [NH2+]=C1NC[C@@H](c2cc3c(c(Br)c2)OCO3)N1C1CC1 ZINC000093373569 193240617 /nfs/dbraw/zinc/24/06/17/193240617.db2.gz BYJRXWAETSMZSJ-JTQLQIEISA-N 1 0 324.178 2.012 10 0 DEAERO NC1=[NH+]CC2(CCC(C(F)(F)F)CC2)N1C[C@@H]1CCCO1 ZINC000093378152 193240749 /nfs/dbraw/zinc/24/07/49/193240749.db2.gz LDIJIDWHWJMNCG-AKJDGMEZSA-N 1 0 305.344 2.287 10 0 DEAERO COCCN1C(=[NH2+])NC[C@]1(C)c1ccc(Cl)c(Cl)c1 ZINC000093380381 193240440 /nfs/dbraw/zinc/24/04/40/193240440.db2.gz CGUXQHPWRCTVMG-CYBMUJFWSA-N 1 0 302.205 2.485 10 0 DEAERO NC1=[NH+]C[C@]2(CCC[C@@H](C(F)(F)F)C2)N1C[C@@H]1CCCO1 ZINC000093378304 193240466 /nfs/dbraw/zinc/24/04/66/193240466.db2.gz HIBNQIHNUWVRRF-NTZNESFSSA-N 1 0 305.344 2.287 10 0 DEAERO CN(CCc1cccs1)S(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000093292206 193225480 /nfs/dbraw/zinc/22/54/80/193225480.db2.gz CUHAAJAZJGEXER-UHFFFAOYSA-N 1 0 324.471 2.113 10 0 DEAERO CN(CCc1cccs1)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000093294742 193226109 /nfs/dbraw/zinc/22/61/09/193226109.db2.gz LZGSSOFLVXZRSW-UHFFFAOYSA-N 1 0 310.444 2.070 10 0 DEAERO NC1=[NH+]C[C@H]([C@@H]2CCCOC2)N1c1ccccc1Br ZINC000093382535 193240984 /nfs/dbraw/zinc/24/09/84/193240984.db2.gz JQRLXFVDXYVJFK-ZWNOBZJWSA-N 1 0 324.222 2.379 10 0 DEAERO [NH2+]=C1NC[C@H](c2ccc(Br)cc2)N1C[C@@H]1CCCO1 ZINC000093378256 193241087 /nfs/dbraw/zinc/24/10/87/193241087.db2.gz YNBFELDBRTVAFA-QWHCGFSZSA-N 1 0 324.222 2.300 10 0 DEAERO NC1=[NH+]CC2(CCOCC2)N1c1cccc(Br)c1 ZINC000093387238 193241681 /nfs/dbraw/zinc/24/16/81/193241681.db2.gz QKJQDKRNQIRRMT-UHFFFAOYSA-N 1 0 310.195 2.133 10 0 DEAERO NC1=[NH+]C[C@]2(CCCOC2)N1c1ccc(Br)cc1 ZINC000093387089 193242063 /nfs/dbraw/zinc/24/20/63/193242063.db2.gz ADCGMVIKWWUVAG-ZDUSSCGKSA-N 1 0 310.195 2.343 10 0 DEAERO Cn1cncc1[C@H]1CNC(=[NH2+])N1c1cccc(Br)c1 ZINC000093387584 193242311 /nfs/dbraw/zinc/24/23/11/193242311.db2.gz AEEHAJSSHJKOHD-GFCCVEGCSA-N 1 0 320.194 2.268 10 0 DEAERO CC(C)(Cn1c(N)[nH+]c2cc(Cl)c(F)cc21)S(C)(=O)=O ZINC000093524691 193264305 /nfs/dbraw/zinc/26/43/05/193264305.db2.gz DDRUEXIIUYGSAY-UHFFFAOYSA-N 1 0 319.789 2.234 10 0 DEAERO [NH3+][C@]1(C(=O)[O-])CCC[C@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000093596152 193270848 /nfs/dbraw/zinc/27/08/48/193270848.db2.gz SPRWFZKVWVBDTA-GXFFZTMASA-N 1 0 308.344 2.233 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093618958 193275014 /nfs/dbraw/zinc/27/50/14/193275014.db2.gz TZSQLCDJZPUSBC-DGCLKSJQSA-N 1 0 305.344 2.433 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@H]1CCn1cc(Br)cn1 ZINC000093618848 193275069 /nfs/dbraw/zinc/27/50/69/193275069.db2.gz LWOWFOZUNMALQV-WCQYABFASA-N 1 0 316.243 2.176 10 0 DEAERO CCC[NH2+][C@H](Cc1c(Br)c(C)nn1C)[C@H](C)OC ZINC000093692258 193290903 /nfs/dbraw/zinc/29/09/03/193290903.db2.gz OVHGOXUYNVQPIL-WDEREUQCSA-N 1 0 318.259 2.437 10 0 DEAERO CC[NH2+][C@@H]1CCCC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698039 193292606 /nfs/dbraw/zinc/29/26/06/193292606.db2.gz SQTHHAJTIZNFLO-SOUVJXGZSA-N 1 0 302.484 2.216 10 0 DEAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093699952 193293926 /nfs/dbraw/zinc/29/39/26/193293926.db2.gz UZEHOGXLHDFLJQ-GOEBONIOSA-N 1 0 310.463 2.399 10 0 DEAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000093699789 193294219 /nfs/dbraw/zinc/29/42/19/193294219.db2.gz JJQJFESRISJEJW-DOMZBBRYSA-N 1 0 314.426 2.148 10 0 DEAERO CC1(C)CC(C[C@H]2CCCN(S(C)(=O)=O)C2)=C[C@H]([NH3+])C1 ZINC000093702384 193295832 /nfs/dbraw/zinc/29/58/32/193295832.db2.gz SWEBMDKHVWPKNS-OCCSQVGLSA-N 1 0 300.468 2.122 10 0 DEAERO CCC[NH2+][C@H]1CCC[C@@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000093730403 193298094 /nfs/dbraw/zinc/29/80/94/193298094.db2.gz FXILALRBOZSLIE-UONOGXRCSA-N 1 0 307.404 2.477 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](N(CC)CC(F)(F)F)C1 ZINC000093751292 193299976 /nfs/dbraw/zinc/29/99/76/193299976.db2.gz GEBCXJOTQRDNGA-YPMHNXCESA-N 1 0 309.376 2.037 10 0 DEAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H](N(C)CCC(F)(F)F)C1 ZINC000093756558 193301021 /nfs/dbraw/zinc/30/10/21/193301021.db2.gz RZTXPYGJWGORKE-YPMHNXCESA-N 1 0 309.376 2.035 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2nc3ccccc3o2)C1 ZINC000093777941 193304991 /nfs/dbraw/zinc/30/49/91/193304991.db2.gz MAYSBZNLYIKTBH-BONVTDFDSA-N 1 0 305.403 2.306 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@H](Sc2nnc3ccccn32)C1 ZINC000093786110 193307500 /nfs/dbraw/zinc/30/75/00/193307500.db2.gz DYGXFFWBXSYECD-WFASDCNBSA-N 1 0 306.435 2.105 10 0 DEAERO COc1ccc2[nH]c(S[C@@H]3CCC[C@]([NH3+])(CO)C3)nc2c1 ZINC000093786669 193307718 /nfs/dbraw/zinc/30/77/18/193307718.db2.gz PHTZIWSVQMSTSB-IAQYHMDHSA-N 1 0 307.419 2.296 10 0 DEAERO O=S(=O)(C1CCCCC1)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094024172 193339574 /nfs/dbraw/zinc/33/95/74/193339574.db2.gz VRVDNDCSBLKDOL-UHFFFAOYSA-N 1 0 300.468 2.113 10 0 DEAERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2cc(F)ccc2F)C1 ZINC000093851295 193319241 /nfs/dbraw/zinc/31/92/41/193319241.db2.gz SDTMABATPDVCQK-QMTHXVAHSA-N 1 0 300.374 2.443 10 0 DEAERO NC(=O)[C@@]1([NH2+]C2CC2)CC[C@H](Sc2ncccc2Cl)C1 ZINC000093854118 193319497 /nfs/dbraw/zinc/31/94/97/193319497.db2.gz JTUGHOBCIDXPEF-IINYFYTJSA-N 1 0 311.838 2.356 10 0 DEAERO C[NH2+][C@]1(CO)CC[C@@H](Sc2ccc(Br)cn2)C1 ZINC000093861021 193319506 /nfs/dbraw/zinc/31/95/06/193319506.db2.gz GJKLJZIEXWZOTN-ZYHUDNBSSA-N 1 0 317.252 2.439 10 0 DEAERO OC[C@]1([NH2+]C2CC2)CC[C@H](N2CCC(C(F)(F)F)CC2)C1 ZINC000093857504 193320106 /nfs/dbraw/zinc/32/01/06/193320106.db2.gz QEXPFDGUEVTWMZ-KBPBESRZSA-N 1 0 306.372 2.296 10 0 DEAERO CC1(C)CCCC[C@@]1(C[NH3+])N1CCN(CC(F)(F)F)CC1 ZINC000094280250 193356066 /nfs/dbraw/zinc/35/60/66/193356066.db2.gz MBSJFNSKIHUKJV-AWEZNQCLSA-N 1 0 307.404 2.464 10 0 DEAERO CCC[NH2+][C@@H](CN(C)CCS(C)(=O)=O)c1ccc(C)cc1 ZINC000094298395 193357883 /nfs/dbraw/zinc/35/78/83/193357883.db2.gz KRKRCLQBFVQELP-INIZCTEOSA-N 1 0 312.479 2.012 10 0 DEAERO CN(CCS(C)(=O)=O)Cc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000094300806 193358551 /nfs/dbraw/zinc/35/85/51/193358551.db2.gz PFIVFZDJBGUISI-UHFFFAOYSA-N 1 0 312.479 2.051 10 0 DEAERO C[NH2+][C@@H]1[C@H](CN2CCN(c3nccs3)CC2)CCC1(C)C ZINC000094315992 193359615 /nfs/dbraw/zinc/35/96/15/193359615.db2.gz SKPZDFSHAIAGIO-UONOGXRCSA-N 1 0 308.495 2.289 10 0 DEAERO COCC1CCN(c2nc(C(F)(F)F)ccc2C[NH3+])CC1 ZINC000094334321 193360372 /nfs/dbraw/zinc/36/03/72/193360372.db2.gz FMVIAIUONWHQDG-UHFFFAOYSA-N 1 0 303.328 2.422 10 0 DEAERO CCC[NH2+][C@@H](C)c1cccc(N2C(=O)C(C)(C)S2(=O)=O)c1 ZINC000094344193 193362337 /nfs/dbraw/zinc/36/23/37/193362337.db2.gz BWBVSVRWVBOICB-NSHDSACASA-N 1 0 310.419 2.202 10 0 DEAERO CNC(=O)[C@@H](C)Oc1c(F)cc(C[NH2+]C(C)(C)C)cc1F ZINC000094347800 193363372 /nfs/dbraw/zinc/36/33/72/193363372.db2.gz FNNHNWOAIAILHI-SECBINFHSA-N 1 0 300.349 2.366 10 0 DEAERO C[NH2+]Cc1cc(F)c(O[C@@H](C)C(=O)NCC(C)C)c(F)c1 ZINC000094346563 193363447 /nfs/dbraw/zinc/36/34/47/193363447.db2.gz LKADBIKETWGPDZ-JTQLQIEISA-N 1 0 300.349 2.224 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(F)c(OCCS(=O)(=O)CC)c(F)c1 ZINC000094350614 193364229 /nfs/dbraw/zinc/36/42/29/193364229.db2.gz CAOUXNSFTWOABB-NSHDSACASA-N 1 0 321.389 2.058 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(F)c(OCCC(=O)N(C)C)c(F)c1 ZINC000094350607 193364451 /nfs/dbraw/zinc/36/44/51/193364451.db2.gz MWPATZHMPUUFDJ-LLVKDONJSA-N 1 0 300.349 2.102 10 0 DEAERO CCNC(=O)[C@H](C)Oc1c(F)cc(C[C@H]([NH3+])CC)cc1F ZINC000094350627 193364545 /nfs/dbraw/zinc/36/45/45/193364545.db2.gz MSZASDPMUJTUES-GXSJLCMTSA-N 1 0 300.349 2.148 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cc(F)cc(OC)c1 ZINC000094038466 193340037 /nfs/dbraw/zinc/34/00/37/193340037.db2.gz BFMUOLIPPQWFLL-LBPRGKRZSA-N 1 0 311.401 2.364 10 0 DEAERO Cc1cc2c(ncnc2N2CCC(OCCC[NH3+])CC2)s1 ZINC000094073164 193343560 /nfs/dbraw/zinc/34/35/60/193343560.db2.gz OOYZIXRPJIBXPM-UHFFFAOYSA-N 1 0 306.435 2.334 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)c(O[C@@H](C)[C@H](C)O)c(OC)c1 ZINC000094653297 193390399 /nfs/dbraw/zinc/39/03/99/193390399.db2.gz AXZFTRKWMSQCKC-QWRGUYRKSA-N 1 0 317.813 2.233 10 0 DEAERO CCOc1cc(C[NH3+])cc(Br)c1O[C@@H](C)[C@@H](C)O ZINC000094653079 193390763 /nfs/dbraw/zinc/39/07/63/193390763.db2.gz LOBUMVYYDJLYEP-BDAKNGLRSA-N 1 0 318.211 2.455 10 0 DEAERO CC(C)C[C@H](C[NH3+])C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000094698612 193391669 /nfs/dbraw/zinc/39/16/69/193391669.db2.gz DNPHSLUZRPCAPU-RBSFLKMASA-N 1 0 314.495 2.121 10 0 DEAERO CC[NH2+][C@@H](C(OC)OC)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094407922 193368137 /nfs/dbraw/zinc/36/81/37/193368137.db2.gz UIXTYQLRGHWRBL-CHWSQXEVSA-N 1 0 303.468 2.276 10 0 DEAERO CC(C)(C)[NH2+]Cc1cn([C@@H]2CCO[C@@]3(CCSC3)C2)nn1 ZINC000094419108 193368774 /nfs/dbraw/zinc/36/87/74/193368774.db2.gz AGVWYGBJNDHTLD-HIFRSBDPSA-N 1 0 310.467 2.393 10 0 DEAERO CCC[N@H+](CC(=O)OC)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094410660 193368937 /nfs/dbraw/zinc/36/89/37/193368937.db2.gz RLDMSOSNLLFEFP-CYBMUJFWSA-N 1 0 301.452 2.316 10 0 DEAERO CCOC(=O)[C@@]1(NCC[NH+](CC)CC)CCCS[C@@H]1C ZINC000094479798 193372803 /nfs/dbraw/zinc/37/28/03/193372803.db2.gz QPBOANDXGQXIIY-UKRRQHHQSA-N 1 0 302.484 2.135 10 0 DEAERO CCC[NH+]1CCN(c2nc(Br)cn3ccnc23)CC1 ZINC000094486137 193372837 /nfs/dbraw/zinc/37/28/37/193372837.db2.gz UYNIAQPMNUWBDJ-UHFFFAOYSA-N 1 0 324.226 2.024 10 0 DEAERO C[NH+]1CCC(CNc2nc(Br)cn3ccnc23)CC1 ZINC000094489908 193373255 /nfs/dbraw/zinc/37/32/55/193373255.db2.gz OPISODBZHJMKGJ-UHFFFAOYSA-N 1 0 324.226 2.246 10 0 DEAERO CN(C[C@@H]1CCC[N@@H+]1C)c1nc(Br)cn2ccnc12 ZINC000094491368 193373658 /nfs/dbraw/zinc/37/36/58/193373658.db2.gz RXXWEQCGRNUGJW-JTQLQIEISA-N 1 0 324.226 2.022 10 0 DEAERO c1ccc2c(c1)C[NH2+]C[C@H]2c1nc([C@@H]2CSCCO2)no1 ZINC000094501787 193374764 /nfs/dbraw/zinc/37/47/64/193374764.db2.gz WKQHFVXXMOCLCI-OLZOCXBDSA-N 1 0 303.387 2.109 10 0 DEAERO CCCn1c(C[C@@H]([NH3+])[C@@H]2CSCCO2)nc2ccccc21 ZINC000094502405 193374851 /nfs/dbraw/zinc/37/48/51/193374851.db2.gz LYRMZGPXEMPOHK-DOMZBBRYSA-N 1 0 305.447 2.448 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000094550165 193378962 /nfs/dbraw/zinc/37/89/62/193378962.db2.gz VAHBGWZOGWTKFU-WFASDCNBSA-N 1 0 304.415 2.198 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094568604 193381068 /nfs/dbraw/zinc/38/10/68/193381068.db2.gz WOINIODMPSXJOK-QWHCGFSZSA-N 1 0 317.216 2.458 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cc(Br)ccc1O ZINC000094573702 193381515 /nfs/dbraw/zinc/38/15/15/193381515.db2.gz GJFNEJDPIJYBLH-WPRPVWTQSA-N 1 0 313.195 2.468 10 0 DEAERO C[NH2+][C@@H](Cc1ncnn1C)c1cc(C(F)(F)F)ccc1F ZINC000094594899 193381971 /nfs/dbraw/zinc/38/19/71/193381971.db2.gz DXIPLOKGYICXJJ-NSHDSACASA-N 1 0 302.275 2.476 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2N)C1 ZINC000094599054 193383090 /nfs/dbraw/zinc/38/30/90/193383090.db2.gz MUHBIMZTRHNWFU-SECBINFHSA-N 1 0 301.312 2.064 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNc2nc3c(Br)cccn3n2)C1 ZINC000094603160 193384071 /nfs/dbraw/zinc/38/40/71/193384071.db2.gz DFKZRVFJMVPHDR-JTQLQIEISA-N 1 0 324.226 2.246 10 0 DEAERO CC(C)C[C@H](C[NH3+])Nc1nc2ccc(Br)cn2n1 ZINC000094608295 193384738 /nfs/dbraw/zinc/38/47/38/193384738.db2.gz ZVBRAOMTDCOKIP-SNVBAGLBSA-N 1 0 312.215 2.277 10 0 DEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH3+])Cc1ccc(OC)nc1 ZINC000094632416 193385096 /nfs/dbraw/zinc/38/50/96/193385096.db2.gz NIKMDXAFSOZKMH-GFCCVEGCSA-N 1 0 308.813 2.381 10 0 DEAERO Cc1cc(C[C@H](C)[NH3+])nc(-c2cncc(Br)c2)n1 ZINC000094825448 193401545 /nfs/dbraw/zinc/40/15/45/193401545.db2.gz VEVUYJSBQPBDAC-QMMMGPOBSA-N 1 0 307.195 2.499 10 0 DEAERO CC[NH2+][C@H](C)c1sc(N2CCN(C)C(=O)C2(C)C)nc1C ZINC000094866912 193403286 /nfs/dbraw/zinc/40/32/86/193403286.db2.gz ATPXTNZBCUWOMG-SNVBAGLBSA-N 1 0 310.467 2.179 10 0 DEAERO CC[C@](C)([C@H](Cc1nc(C)c(C)s1)[NH2+]C)N1CCOCC1 ZINC000094974264 193410046 /nfs/dbraw/zinc/41/00/46/193410046.db2.gz RMMMQHQFGFELFK-GOEBONIOSA-N 1 0 311.495 2.391 10 0 DEAERO CC1(C[NH2+]Cc2cccc(NC(=O)C(F)(F)F)c2)COC1 ZINC000094721984 193394081 /nfs/dbraw/zinc/39/40/81/193394081.db2.gz QSYIHAMMCHVNLY-UHFFFAOYSA-N 1 0 302.296 2.314 10 0 DEAERO COc1ncnc2c1[nH]c(=S)n2[C@H](C)C[NH+]1CCCCC1 ZINC000094738845 193394960 /nfs/dbraw/zinc/39/49/60/193394960.db2.gz GYPJMYWBYFSDNV-SNVBAGLBSA-N 1 0 307.423 2.171 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1C(=O)Nc1cnc(Br)cn1 ZINC000094754486 193395893 /nfs/dbraw/zinc/39/58/93/193395893.db2.gz ZVXQYMAFFGIJBQ-BDAKNGLRSA-N 1 0 313.199 2.085 10 0 DEAERO CS(=O)(=O)c1ccc(Nc2[nH]c3ccc(N)cc3[nH+]2)cc1 ZINC000094770234 193396624 /nfs/dbraw/zinc/39/66/24/193396624.db2.gz YKVVDKGZIKMPAY-UHFFFAOYSA-N 1 0 302.359 2.292 10 0 DEAERO CCn1c(=O)[nH]nc1Sc1cc(C)c(F)cc1[C@H](C)[NH2+]C ZINC000094768538 193396632 /nfs/dbraw/zinc/39/66/32/193396632.db2.gz AVIJGWZFCMHAEE-VIFPVBQESA-N 1 0 310.398 2.470 10 0 DEAERO O=C(c1cscn1)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000096245635 193598342 /nfs/dbraw/zinc/59/83/42/193598342.db2.gz XNWOAFJKXJHAMC-GJZGRUSLSA-N 1 0 313.426 2.347 10 0 DEAERO OC1CCN(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000453377360 245108252 /nfs/dbraw/zinc/10/82/52/245108252.db2.gz PVCDGCFEKLOXIN-VQIMIIECSA-N 1 0 318.461 2.201 10 0 DEAERO O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2c1C[NH2+]CC2 ZINC000082807272 284298813 /nfs/dbraw/zinc/29/88/13/284298813.db2.gz MQKADSDBAKBZCL-UHFFFAOYSA-N 1 0 310.279 2.327 10 0 DEAERO CCC[NH2+][C@H](Cc1ncnn1C)[C@H]1Cc2ccccc2S1 ZINC000097275195 193702397 /nfs/dbraw/zinc/70/23/97/193702397.db2.gz IIFRXMZTAGTZNN-UKRRQHHQSA-N 1 0 302.447 2.443 10 0 DEAERO CCC[NH2+][C@H](c1ccnnc1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097312981 193706872 /nfs/dbraw/zinc/70/68/72/193706872.db2.gz AWODZTXQWHEEQD-SNPRPXQTSA-N 1 0 311.451 2.121 10 0 DEAERO C[C@@]1([NH2+]CC(=O)Nc2cccc(Br)c2)CCOC1 ZINC000161762598 197516689 /nfs/dbraw/zinc/51/66/89/197516689.db2.gz VAHGRFWQPZOZND-CYBMUJFWSA-N 1 0 313.195 2.156 10 0 DEAERO C[C@H]1SCCS[C@H]1c1noc(-c2ccc(C[NH3+])cn2)n1 ZINC000161912378 197528238 /nfs/dbraw/zinc/52/82/38/197528238.db2.gz ADXCQGIBXPJKHR-LDYMZIIASA-N 1 0 308.432 2.500 10 0 DEAERO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000019535768 182129420 /nfs/dbraw/zinc/12/94/20/182129420.db2.gz BIJWWOJMKFFECN-ZETCQYMHSA-N 1 0 304.177 2.100 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](COc2cc(F)ccc2Br)O1 ZINC000160585160 197423665 /nfs/dbraw/zinc/42/36/65/197423665.db2.gz JKQWQPBHPZZNQL-UWVGGRQHSA-N 1 0 304.159 2.473 10 0 DEAERO CC[NH2+][C@@H](c1c(Br)cnn1CC)[C@@H]1CCCO1 ZINC000160287365 197398601 /nfs/dbraw/zinc/39/86/01/197398601.db2.gz UKTVTGIJESALFM-WDEREUQCSA-N 1 0 302.216 2.495 10 0 DEAERO Cc1ccccc1CNS(=O)(=O)c1cc(C[NH3+])ccc1C ZINC000020189399 182195479 /nfs/dbraw/zinc/19/54/79/182195479.db2.gz YWFFMBCZJPFIHU-UHFFFAOYSA-N 1 0 304.415 2.241 10 0 DEAERO [NH3+]CCc1ccc(NS(=O)(=O)CCc2ccccc2)cc1 ZINC000020224457 182198880 /nfs/dbraw/zinc/19/88/80/182198880.db2.gz DOWKZLPWPFUJNB-UHFFFAOYSA-N 1 0 304.415 2.172 10 0 DEAERO [NH3+]Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCC2 ZINC000020563932 182232176 /nfs/dbraw/zinc/23/21/76/182232176.db2.gz VYPGGBDQOJTBDG-UHFFFAOYSA-N 1 0 302.399 2.435 10 0 DEAERO C[C@H](CNC(=O)NCC1CCCCCC1)C[NH+]1CCN(C)CC1 ZINC000454626976 246001626 /nfs/dbraw/zinc/00/16/26/246001626.db2.gz UJLYHBOPFGACHW-MRXNPFEDSA-N 1 0 324.513 2.140 10 0 DEAERO C[C@H]([NH2+]CCNS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000021026238 182262239 /nfs/dbraw/zinc/26/22/39/182262239.db2.gz BWMZQFSMDKFMMD-QMMMGPOBSA-N 1 0 311.234 2.193 10 0 DEAERO CC(C)[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2)CC1 ZINC000022999114 182344285 /nfs/dbraw/zinc/34/42/85/182344285.db2.gz PCPRXULBAXREES-UHFFFAOYSA-N 1 0 321.396 2.001 10 0 DEAERO CC(C)NC(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000025927662 182425395 /nfs/dbraw/zinc/42/53/95/182425395.db2.gz SEDOQNQMZNQYFY-UHFFFAOYSA-N 1 0 317.433 2.252 10 0 DEAERO C[NH+](C)CC(C)(C)NC(=O)NC1CCN(c2ccccc2)CC1 ZINC000457961092 248092089 /nfs/dbraw/zinc/09/20/89/248092089.db2.gz ZAJHMDCHKAVXDY-UHFFFAOYSA-N 1 0 318.465 2.295 10 0 DEAERO CCOc1cc(C[NH3+])cc(Br)c1OC[C@H](C)O ZINC000037712028 182919064 /nfs/dbraw/zinc/91/90/64/182919064.db2.gz UEKXFIMUVLALNH-QMMMGPOBSA-N 1 0 304.184 2.066 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CCOC1)c1cccc(Br)c1 ZINC000038094543 182988851 /nfs/dbraw/zinc/98/88/51/182988851.db2.gz NVLOXKJTRDQWPZ-ZWNOBZJWSA-N 1 0 300.196 2.109 10 0 DEAERO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2N)C[C@H](C)O1 ZINC000040162752 183042806 /nfs/dbraw/zinc/04/28/06/183042806.db2.gz LEVSXJNLFRPMBH-PHIMTYICSA-N 1 0 311.813 2.360 10 0 DEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000040502328 183084445 /nfs/dbraw/zinc/08/44/45/183084445.db2.gz QCVZVKVBYADPJQ-DZGCQCFKSA-N 1 0 310.463 2.225 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000040630919 183111625 /nfs/dbraw/zinc/11/16/25/183111625.db2.gz MHHMMAMRYWBKAL-DGCLKSJQSA-N 1 0 317.216 2.029 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000040630924 183111812 /nfs/dbraw/zinc/11/18/12/183111812.db2.gz MHHMMAMRYWBKAL-YPMHNXCESA-N 1 0 317.216 2.029 10 0 DEAERO CC(C)(C)NNc1[nH+]cnc(Nc2ccc3c(c2)OCO3)c1N ZINC000040685035 183117234 /nfs/dbraw/zinc/11/72/34/183117234.db2.gz CTCOZLQINCMUCV-UHFFFAOYSA-N 1 0 316.365 2.246 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(Cl)nn1)c1ccccc1 ZINC000040802330 183136313 /nfs/dbraw/zinc/13/63/13/183136313.db2.gz CFXJPCZJQHXFJW-CYBMUJFWSA-N 1 0 304.781 2.163 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000040833567 183138978 /nfs/dbraw/zinc/13/89/78/183138978.db2.gz VPZCDKYVCFSSKE-JTQLQIEISA-N 1 0 310.419 2.425 10 0 DEAERO COC(=O)c1sccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000040832903 183139719 /nfs/dbraw/zinc/13/97/19/183139719.db2.gz SNUNLUIFAKALNN-NHCYSSNCSA-N 1 0 308.403 2.394 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)C[C@@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000040856319 183142846 /nfs/dbraw/zinc/14/28/46/183142846.db2.gz VGRGURHILLCJEH-SSDOTTSWSA-N 1 0 303.284 2.340 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000040713146 183121693 /nfs/dbraw/zinc/12/16/93/183121693.db2.gz FKVWSMABAPABMQ-KWQFWETISA-N 1 0 306.259 2.160 10 0 DEAERO CC[NH+](CC)CCCNC(=O)Cc1cn2cc(Cl)ccc2n1 ZINC000041287416 183183035 /nfs/dbraw/zinc/18/30/35/183183035.db2.gz IQFUHEORYZKMQL-UHFFFAOYSA-N 1 0 322.840 2.378 10 0 DEAERO Cc1nc(-c2c(F)cccc2F)sc1C(=O)N1CC[NH2+]CC1 ZINC000041292319 183183619 /nfs/dbraw/zinc/18/36/19/183183619.db2.gz FGAGKAJBTQPACB-UHFFFAOYSA-N 1 0 323.368 2.442 10 0 DEAERO Cn1ccnc1[C@@H](NC(=O)CC[NH+](C)C)c1cccc(Cl)c1 ZINC000041536412 183199914 /nfs/dbraw/zinc/19/99/14/183199914.db2.gz CZOIXMAPZRUGIB-HNNXBMFYSA-N 1 0 320.824 2.231 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(SC)cc1 ZINC000041606294 183209326 /nfs/dbraw/zinc/20/93/26/183209326.db2.gz YFELLSPIMRMBCC-LBPRGKRZSA-N 1 0 323.462 2.194 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000041604142 183209437 /nfs/dbraw/zinc/20/94/37/183209437.db2.gz UVAGMXIRAGEUFQ-NSHDSACASA-N 1 0 311.813 2.125 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(SC)cc1 ZINC000041606297 183209508 /nfs/dbraw/zinc/20/95/08/183209508.db2.gz YFELLSPIMRMBCC-GFCCVEGCSA-N 1 0 323.462 2.194 10 0 DEAERO C[NH+](C)CCCCNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000041675851 183215619 /nfs/dbraw/zinc/21/56/19/183215619.db2.gz ZRDCITUKUITSDE-UHFFFAOYSA-N 1 0 306.378 2.437 10 0 DEAERO CC[NH+](CC)C[C@H](C)Nc1nc2c(cc1C(N)=S)CCC2 ZINC000041681161 183216255 /nfs/dbraw/zinc/21/62/55/183216255.db2.gz OZIHEYBLRPLAOK-NSHDSACASA-N 1 0 306.479 2.347 10 0 DEAERO CCC(CC)(C(N)=S)C(=O)NCCCC[N@H+](C)C(C)C ZINC000041680886 183216276 /nfs/dbraw/zinc/21/62/76/183216276.db2.gz LHEDVWBHDULYPS-UHFFFAOYSA-N 1 0 301.500 2.316 10 0 DEAERO CN(CC1CCOCC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000162681774 291683724 /nfs/dbraw/zinc/68/37/24/291683724.db2.gz ZTXWLTIDEOEZPD-QGZVFWFLSA-N 1 0 304.434 2.044 10 0 DEAERO CC(C)NC(=O)[C@@H](C)Oc1c(Br)cccc1C[NH3+] ZINC000042411324 183265066 /nfs/dbraw/zinc/26/50/66/183265066.db2.gz QCCBUXPWBUZIFG-SECBINFHSA-N 1 0 315.211 2.200 10 0 DEAERO CCN(C[C@@H](C)C[NH3+])S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000042441977 183271066 /nfs/dbraw/zinc/27/10/66/183271066.db2.gz NPSSMCKUUFKOAE-JTQLQIEISA-N 1 0 324.368 2.311 10 0 DEAERO Nc1cc(Cl)ccc1NC(=O)CCC[N@H+](CCO)C1CC1 ZINC000042478359 183275137 /nfs/dbraw/zinc/27/51/37/183275137.db2.gz GLGSWKIAQOLAMD-UHFFFAOYSA-N 1 0 311.813 2.098 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2Br)C1 ZINC000042374810 183260985 /nfs/dbraw/zinc/26/09/85/183260985.db2.gz VPGUMMXWLAJVMM-VIFPVBQESA-N 1 0 301.159 2.022 10 0 DEAERO CC[N@H+](CCCOc1cccc(C(N)=S)c1)[C@H](C)COC ZINC000042765888 183305871 /nfs/dbraw/zinc/30/58/71/183305871.db2.gz JOHKAWUYFDGESM-CYBMUJFWSA-N 1 0 310.463 2.447 10 0 DEAERO CC(C)NC(=O)CN(C)c1ccc(C(F)(F)F)cc1C[NH3+] ZINC000042600236 183290206 /nfs/dbraw/zinc/29/02/06/183290206.db2.gz YXKWAAOZVIOLLQ-UHFFFAOYSA-N 1 0 303.328 2.125 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CC(=O)NC1CC1 ZINC000042945177 183319863 /nfs/dbraw/zinc/31/98/63/183319863.db2.gz WPAXAGKPHJSHCY-HOCLYGCPSA-N 1 0 309.841 2.329 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCC(O)CC1 ZINC000042952098 183320332 /nfs/dbraw/zinc/32/03/32/183320332.db2.gz NXLSTTVOUKVCBT-HZMBPMFUSA-N 1 0 313.239 2.294 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCCC[C@@H]1C(N)=O ZINC000042946470 183321086 /nfs/dbraw/zinc/32/10/86/183321086.db2.gz NRGSUZIVQQOQER-ZNMIVQPWSA-N 1 0 309.841 2.458 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC(C(N)=O)CC1 ZINC000042975093 183325333 /nfs/dbraw/zinc/32/53/33/183325333.db2.gz ICVHTOFLJJWAOJ-GJZGRUSLSA-N 1 0 309.841 2.316 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1cccc(Cl)c1 ZINC000043019676 183328699 /nfs/dbraw/zinc/32/86/99/183328699.db2.gz JJGZQJFZIQHVGX-JMCQJSRRSA-N 1 0 309.826 2.475 10 0 DEAERO c1ccc(COC2CC([NH2+]CCCN3CCOCC3)C2)cc1 ZINC000493905180 249439662 /nfs/dbraw/zinc/43/96/62/249439662.db2.gz HAZKIYAWTREBQY-UHFFFAOYSA-N 1 0 304.434 2.046 10 0 DEAERO CCN([C@@H](C)COC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000042782199 183308283 /nfs/dbraw/zinc/30/82/83/183308283.db2.gz JOAFPIVTTVGWBC-QWHCGFSZSA-N 1 0 314.451 2.013 10 0 DEAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc(Cl)cc1 ZINC000043157660 183342189 /nfs/dbraw/zinc/34/21/89/183342189.db2.gz KFSQGXPQCVSTJE-AWEZNQCLSA-N 1 0 311.813 2.308 10 0 DEAERO Nc1cc(=O)[nH]c(S[C@H](C[NH3+])c2ccc(Cl)s2)n1 ZINC000043258304 183348008 /nfs/dbraw/zinc/34/80/08/183348008.db2.gz LUFUFYZQMKPHIJ-ZCFIWIBFSA-N 1 0 302.812 2.271 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCCC[C@@H]1C(N)=O ZINC000043253711 183348076 /nfs/dbraw/zinc/34/80/76/183348076.db2.gz GPXUJZPRSXTTAS-SBMIAAHKSA-N 1 0 301.843 2.130 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N(C)CCO ZINC000043261128 183348840 /nfs/dbraw/zinc/34/88/40/183348840.db2.gz XLMKLGKKFVLCAR-KCJUWKMLSA-N 1 0 307.257 2.213 10 0 DEAERO CCCN(CCO)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000043286604 183350560 /nfs/dbraw/zinc/35/05/60/183350560.db2.gz JKCQUFIBVJBYDE-JTQLQIEISA-N 1 0 307.257 2.215 10 0 DEAERO COC(=O)CS[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000043290998 183351156 /nfs/dbraw/zinc/35/11/56/183351156.db2.gz KNIYCUARWBZPEB-QMMMGPOBSA-N 1 0 310.238 2.417 10 0 DEAERO C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300515 183351927 /nfs/dbraw/zinc/35/19/27/183351927.db2.gz UHZAGXBXDXEPGJ-CMPLNLGQSA-N 1 0 307.337 2.401 10 0 DEAERO C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300590 183352353 /nfs/dbraw/zinc/35/23/53/183352353.db2.gz SRQFIDCGFGIHCR-CMPLNLGQSA-N 1 0 318.236 2.144 10 0 DEAERO CC[NH2+][C@@H](c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300891 183352587 /nfs/dbraw/zinc/35/25/87/183352587.db2.gz GOEBGGAWXCKOKE-AAEUAGOBSA-N 1 0 319.373 2.373 10 0 DEAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301255 183352604 /nfs/dbraw/zinc/35/26/04/183352604.db2.gz YJUSQFCHDBYYAJ-BXUZGUMPSA-N 1 0 303.374 2.440 10 0 DEAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043301236 183352772 /nfs/dbraw/zinc/35/27/72/183352772.db2.gz MCAYHRALHRHKHE-QMTHXVAHSA-N 1 0 303.374 2.440 10 0 DEAERO [NH3+]C[C@H](c1ccccc1Br)N1CCCC[C@@H]1CO ZINC000043092493 183335847 /nfs/dbraw/zinc/33/58/47/183335847.db2.gz UQZLKVDNOHLUKD-BXUZGUMPSA-N 1 0 313.239 2.296 10 0 DEAERO CC(C)[NH2+]Cc1ccc(O[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000043479849 183366000 /nfs/dbraw/zinc/36/60/00/183366000.db2.gz GFOQXJARJKQFMI-LBPRGKRZSA-N 1 0 317.838 2.404 10 0 DEAERO CN(C)C(C)(C)C[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000043411245 183359955 /nfs/dbraw/zinc/35/99/55/183359955.db2.gz IAGVVYAIJFQLLB-ZDUSSCGKSA-N 1 0 300.830 2.010 10 0 DEAERO C[C@@H](C[NH2+]Cc1cc(Br)ccc1F)[S@](C)=O ZINC000159799743 197365743 /nfs/dbraw/zinc/36/57/43/197365743.db2.gz UNVIZYRYJVAGSJ-ZKANADHPSA-N 1 0 308.216 2.445 10 0 DEAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000284532147 218066745 /nfs/dbraw/zinc/06/67/45/218066745.db2.gz JZVFWLKTDWGQKW-GXTWGEPZSA-N 1 0 319.323 2.209 10 0 DEAERO COCc1cccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000284616325 218100749 /nfs/dbraw/zinc/10/07/49/218100749.db2.gz KROVPTIGUMLYGW-KSZLIROESA-N 1 0 305.418 2.195 10 0 DEAERO CN1CCO[C@@H](CNC(=O)NCc2ccc(C(C)(C)C)cc2)C1 ZINC000104793038 194039504 /nfs/dbraw/zinc/03/95/04/194039504.db2.gz PSXPDAHXQBSAGA-INIZCTEOSA-N 1 0 319.449 2.114 10 0 DEAERO COc1cccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC000105211669 194085297 /nfs/dbraw/zinc/08/52/97/194085297.db2.gz VJVFBKMICOWBOC-HNNXBMFYSA-N 1 0 320.437 2.010 10 0 DEAERO O=C(NCc1cscn1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105210111 194085594 /nfs/dbraw/zinc/08/55/94/194085594.db2.gz IWAAIMFJWSOJRD-CQSZACIVSA-N 1 0 308.451 2.303 10 0 DEAERO C[C@H]1CC(=O)N(C[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1=O ZINC000105677554 194118973 /nfs/dbraw/zinc/11/89/73/194118973.db2.gz AYWWYLZGZHJAAV-GZMMTYOYSA-N 1 0 300.280 2.100 10 0 DEAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2ccc(F)cc2)C[C@@H]1CC ZINC000105838109 194144163 /nfs/dbraw/zinc/14/41/63/194144163.db2.gz YOFBYSYFHKYVJW-ROUUACIJSA-N 1 0 324.440 2.292 10 0 DEAERO CC(C)Oc1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1 ZINC000106379548 194204082 /nfs/dbraw/zinc/20/40/82/194204082.db2.gz VAIXBPKKPURDKI-SFHVURJKSA-N 1 0 304.434 2.427 10 0 DEAERO COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106454534 194215419 /nfs/dbraw/zinc/21/54/19/194215419.db2.gz CZQVDDUDCUYCMK-GOSISDBHSA-N 1 0 312.413 2.484 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000048666217 183675992 /nfs/dbraw/zinc/67/59/92/183675992.db2.gz SSBFXKIHAMDKBH-UHFFFAOYSA-N 1 0 316.854 2.363 10 0 DEAERO CC1CCC(C[NH3+])(NS(=O)(=O)CC2CCCCC2)CC1 ZINC000049042961 183704641 /nfs/dbraw/zinc/70/46/41/183704641.db2.gz MLLYLWHIBYMTOW-UHFFFAOYSA-N 1 0 302.484 2.394 10 0 DEAERO C[C@H]([NH2+]CCc1nncn1C)c1ccccc1Br ZINC000109421235 194262431 /nfs/dbraw/zinc/26/24/31/194262431.db2.gz FSXXDEUIFHZWJM-JTQLQIEISA-N 1 0 309.211 2.471 10 0 DEAERO Cn1cnnc1CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000109422780 194263118 /nfs/dbraw/zinc/26/31/18/194263118.db2.gz NFJHMUFFTGTOJQ-CYBMUJFWSA-N 1 0 321.222 2.397 10 0 DEAERO C[C@H](c1noc(-c2c(F)cccc2Cl)n1)N1CC[NH2+]CC1 ZINC000109473754 194268024 /nfs/dbraw/zinc/26/80/24/194268024.db2.gz ATQUJDZQEKKACC-SECBINFHSA-N 1 0 310.760 2.495 10 0 DEAERO CC[NH2+]Cc1ccc(Br)cc1N(C)C[C@H](C)O ZINC000051839239 183838491 /nfs/dbraw/zinc/83/84/91/183838491.db2.gz AOWYGZIZIINGKF-JTQLQIEISA-N 1 0 301.228 2.376 10 0 DEAERO CC[C@@H](NS(=O)(=O)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000051629046 183832572 /nfs/dbraw/zinc/83/25/72/183832572.db2.gz KTUQKSZVBCRRQN-MRXNPFEDSA-N 1 0 310.463 2.447 10 0 DEAERO CCOC(C)(C)C[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000159344359 197346769 /nfs/dbraw/zinc/34/67/69/197346769.db2.gz QVFRGWBJYXODEA-ZDUSSCGKSA-N 1 0 301.814 2.484 10 0 DEAERO CCc1nc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cs1 ZINC000110115634 194311114 /nfs/dbraw/zinc/31/11/14/194311114.db2.gz WJLAATAYPGVVKD-INIZCTEOSA-N 1 0 322.522 2.307 10 0 DEAERO COc1ccccc1C[C@H](CCS(C)(=O)=O)C[NH2+]C(C)C ZINC000052980381 183882992 /nfs/dbraw/zinc/88/29/92/183882992.db2.gz OSFZQOAXRYCGQG-AWEZNQCLSA-N 1 0 313.463 2.287 10 0 DEAERO CC[C@H]1CN(Cc2nc3sccc3c(NC)n2)CC[N@@H+]1C ZINC000110742972 194356685 /nfs/dbraw/zinc/35/66/85/194356685.db2.gz YADOISIDVZPYGX-NSHDSACASA-N 1 0 305.451 2.259 10 0 DEAERO C[C@H]1CN(CCNc2cccc(Br)c2)CC[N@@H+]1C ZINC000110756320 194356690 /nfs/dbraw/zinc/35/66/90/194356690.db2.gz HUFRCDOCSWMNNN-LBPRGKRZSA-N 1 0 312.255 2.497 10 0 DEAERO CCC[NH2+][C@@H](CCN1CCS(=O)CC1)c1cccc(F)c1 ZINC000053982305 183919015 /nfs/dbraw/zinc/91/90/15/183919015.db2.gz KLJMBAISRGULAK-INIZCTEOSA-N 1 0 312.454 2.321 10 0 DEAERO CC(C)[NH2+]CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000054267683 183932557 /nfs/dbraw/zinc/93/25/57/183932557.db2.gz QOPYTUYIORNWGV-UHFFFAOYSA-N 1 0 310.341 2.390 10 0 DEAERO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000110792434 194359450 /nfs/dbraw/zinc/35/94/50/194359450.db2.gz SMGDJHKHIZJVBU-LLVKDONJSA-N 1 0 302.827 2.008 10 0 DEAERO NC(=O)c1ccc(NCC[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000110798511 194360091 /nfs/dbraw/zinc/36/00/91/194360091.db2.gz HBTJDDRXVVESIF-SECBINFHSA-N 1 0 301.312 2.216 10 0 DEAERO Brc1ccc2c(c1)CC[C@H]([NH2+]Cc1nnc[nH]1)C2 ZINC000110821891 194361178 /nfs/dbraw/zinc/36/11/78/194361178.db2.gz PANIMNQZEADLPG-LBPRGKRZSA-N 1 0 307.195 2.214 10 0 DEAERO Cc1cc(NC[C@H]2CCCC[N@H+]2C)ccc1NS(C)(=O)=O ZINC000054242431 183930661 /nfs/dbraw/zinc/93/06/61/183930661.db2.gz KJSQGTFREQCDFK-CQSZACIVSA-N 1 0 311.451 2.263 10 0 DEAERO CCN(Cc1csc(N(CC)C(C)=O)n1)[C@@H]1CCC[NH2+]C1 ZINC000110943097 194372776 /nfs/dbraw/zinc/37/27/76/194372776.db2.gz ZQRNECWIEVFNJM-CQSZACIVSA-N 1 0 310.467 2.090 10 0 DEAERO CCC[C@H](C)C[C@H](C[NH2+]CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000054639507 183947067 /nfs/dbraw/zinc/94/70/67/183947067.db2.gz MYZNRYWCAQICNT-RRFJBIMHSA-N 1 0 305.484 2.100 10 0 DEAERO C[N@@H+](CC(=O)Nc1cc(N)ccc1Cl)C[C@H]1CCCOC1 ZINC000111155030 194396252 /nfs/dbraw/zinc/39/62/52/194396252.db2.gz WFEMFAAEYCEGKO-LLVKDONJSA-N 1 0 311.813 2.219 10 0 DEAERO O[C@@H](COCc1ccccc1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000058592115 184123959 /nfs/dbraw/zinc/12/39/59/184123959.db2.gz KHSKLOKRZZKUMN-FUHWJXTLSA-N 1 0 305.418 2.065 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1Cl)CS(C)(=O)=O ZINC000060706253 184154544 /nfs/dbraw/zinc/15/45/44/184154544.db2.gz FCKKUAVNKMYQDH-LBPRGKRZSA-N 1 0 307.818 2.434 10 0 DEAERO CC[NH2+][C@@H]1CCCC[C@H]1CN1CCN(c2nccs2)CC1 ZINC000060743419 184155415 /nfs/dbraw/zinc/15/54/15/184155415.db2.gz XXANTIFXPYCVTI-LSDHHAIUSA-N 1 0 308.495 2.433 10 0 DEAERO CCN(C(C)=O)c1nc(CN2CCC[N@@H+](C3CC3)CC2)cs1 ZINC000061041027 184160070 /nfs/dbraw/zinc/16/00/70/184160070.db2.gz KZJNSZZXONLERN-UHFFFAOYSA-N 1 0 322.478 2.186 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000061230727 184166716 /nfs/dbraw/zinc/16/67/16/184166716.db2.gz BSQQMXPVGTUZKN-TUAOUCFPSA-N 1 0 310.360 2.238 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000061291730 184167843 /nfs/dbraw/zinc/16/78/43/184167843.db2.gz UZPUPPUWCONAIJ-UHFFFAOYSA-N 1 0 311.813 2.368 10 0 DEAERO CC[NH2+]CCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000061298857 184167983 /nfs/dbraw/zinc/16/79/83/184167983.db2.gz NBCYMKQERCRBMY-UHFFFAOYSA-N 1 0 310.419 2.352 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1cccc(Cl)c1 ZINC000061592735 184175466 /nfs/dbraw/zinc/17/54/66/184175466.db2.gz ZJWLHDJDXDAWHH-QWRGUYRKSA-N 1 0 312.826 2.333 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1F ZINC000061594688 184176028 /nfs/dbraw/zinc/17/60/28/184176028.db2.gz WGLULPMJWCZIAH-QPUJVOFHSA-N 1 0 308.382 2.226 10 0 DEAERO COc1cc(OC)cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061605934 184177141 /nfs/dbraw/zinc/17/71/41/184177141.db2.gz XPXLRRSUSYLBIC-UHFFFAOYSA-N 1 0 304.390 2.014 10 0 DEAERO C[C@]([NH2+]CC1CC1)(C(N)=O)c1ccc(F)c(Br)c1 ZINC000061689385 184182831 /nfs/dbraw/zinc/18/28/31/184182831.db2.gz KLTIBNNCFQCSDK-CYBMUJFWSA-N 1 0 315.186 2.288 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)s1)N1CC[C@H](O)C1 ZINC000061709891 184184777 /nfs/dbraw/zinc/18/47/77/184184777.db2.gz LGWRHMPMUYWARU-HOTUBEGUSA-N 1 0 319.268 2.356 10 0 DEAERO COC(=O)C[C@@H](C)C[C@@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000061830461 184188931 /nfs/dbraw/zinc/18/89/31/184188931.db2.gz AGRBEGDLUWCCPI-QPUJVOFHSA-N 1 0 310.781 2.424 10 0 DEAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941238 184197176 /nfs/dbraw/zinc/19/71/76/184197176.db2.gz FPVMVBLUPYDCFU-MCIONIFRSA-N 1 0 307.404 2.333 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccsc1)N1CCN(CC(F)(F)F)CC1 ZINC000061940835 184197412 /nfs/dbraw/zinc/19/74/12/184197412.db2.gz BMFHYVDHFSVEOC-CMPLNLGQSA-N 1 0 307.385 2.316 10 0 DEAERO CCC[C@@H]1CC[C@H](O)[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000061942860 184197808 /nfs/dbraw/zinc/19/78/08/184197808.db2.gz YOXRIGQFXIINLX-MCIONIFRSA-N 1 0 308.388 2.496 10 0 DEAERO Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1NS(C)(=O)=O ZINC000061982612 184199693 /nfs/dbraw/zinc/19/96/93/184199693.db2.gz IRHGSGSYIQSPAF-ZDUSSCGKSA-N 1 0 309.435 2.015 10 0 DEAERO Cc1cc(OC[C@@H](O)C[NH2+]CCN(C)C2CC2)ccc1Cl ZINC000061996637 184200484 /nfs/dbraw/zinc/20/04/84/184200484.db2.gz ACPWBOXTBZAYAX-AWEZNQCLSA-N 1 0 312.841 2.072 10 0 DEAERO CC[NH2+]CCS(=O)(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000062027792 184201670 /nfs/dbraw/zinc/20/16/70/184201670.db2.gz BROLHOPSEYONPX-LLVKDONJSA-N 1 0 304.843 2.272 10 0 DEAERO C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)C1CC[NH2+]CC1 ZINC000062027787 184201846 /nfs/dbraw/zinc/20/18/46/184201846.db2.gz CXYHUCJOGYAVSC-NSHDSACASA-N 1 0 316.854 2.415 10 0 DEAERO COCCC[N@H+]1[C@H](C)CN(C(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000062090777 184205730 /nfs/dbraw/zinc/20/57/30/184205730.db2.gz ZVPAUCOUIHYJRD-GASCZTMLSA-N 1 0 320.433 2.267 10 0 DEAERO CCN[C@H](CC[N@H+](CCOC)C(CC)CC)C(=O)OCC ZINC000062525470 184241769 /nfs/dbraw/zinc/24/17/69/184241769.db2.gz JKOGCDJMGJICRD-OAHLLOKOSA-N 1 0 302.459 2.055 10 0 DEAERO CCC[NH2+][C@@H]1CCc2c1cccc2O[C@@H]1CCS(=O)(=O)C1 ZINC000062799836 184253426 /nfs/dbraw/zinc/25/34/26/184253426.db2.gz XDBWKDNXEBHZJL-IUODEOHRSA-N 1 0 309.431 2.239 10 0 DEAERO C[C@@]1(C(=O)Nc2cccc(Cl)c2-n2cccn2)CC[NH2+]C1 ZINC000062894150 184258831 /nfs/dbraw/zinc/25/88/31/184258831.db2.gz RTMGBUOXLLMOGR-OAHLLOKOSA-N 1 0 304.781 2.464 10 0 DEAERO C[NH2+]Cc1ccc(O[C@H]2CCC[C@@H]2O)c(Br)c1 ZINC000062700834 184247480 /nfs/dbraw/zinc/24/74/80/184247480.db2.gz QALHRGDOBHRYIF-AAEUAGOBSA-N 1 0 300.196 2.461 10 0 DEAERO CC[NH2+]Cc1ccc(O[C@@H](C)C(=O)OC)c(Br)c1 ZINC000062701057 184247596 /nfs/dbraw/zinc/24/75/96/184247596.db2.gz OTGGMFWLKMUBBA-VIFPVBQESA-N 1 0 316.195 2.499 10 0 DEAERO CC[NH2+]Cc1ccc(OCC(=O)N(C)C)c(Br)c1 ZINC000062701248 184248181 /nfs/dbraw/zinc/24/81/81/184248181.db2.gz NYVZTNJSSRCBOM-UHFFFAOYSA-N 1 0 315.211 2.026 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1cncc(Br)c1 ZINC000063211470 184278259 /nfs/dbraw/zinc/27/82/59/184278259.db2.gz YOSHMDUSAUITQV-RYUDHWBXSA-N 1 0 312.211 2.234 10 0 DEAERO CCN(CC)c1ccc(NS(=O)(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000062996939 184264779 /nfs/dbraw/zinc/26/47/79/184264779.db2.gz COZIOOHGQINBBK-CQSZACIVSA-N 1 0 311.451 2.027 10 0 DEAERO CC[NH2+][C@@H]1CCCc2cc(OCCCS(C)(=O)=O)ccc21 ZINC000063014445 184266523 /nfs/dbraw/zinc/26/65/23/184266523.db2.gz FTSOBYMGYBJCBR-MRXNPFEDSA-N 1 0 311.447 2.487 10 0 DEAERO C[C@@H](CC[NH3+])N(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000063086575 184269663 /nfs/dbraw/zinc/26/96/63/184269663.db2.gz ADDYQCFHGFUVKY-VIFPVBQESA-N 1 0 310.341 2.154 10 0 DEAERO COc1ccc(Br)c(C(=O)N[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000063172395 184276162 /nfs/dbraw/zinc/27/61/62/184276162.db2.gz PJMUACKHWNRXIO-VXGBXAGGSA-N 1 0 313.195 2.067 10 0 DEAERO C[N@H+](CCC(F)(F)F)C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000064634866 184301581 /nfs/dbraw/zinc/30/15/81/184301581.db2.gz GAAAQLOADWAERM-NSHDSACASA-N 1 0 305.296 2.375 10 0 DEAERO COCCc1nnc([C@H]2CCC[N@H+](Cc3cccs3)C2)[nH]1 ZINC000065286887 184322042 /nfs/dbraw/zinc/32/20/42/184322042.db2.gz ZMLZWPFFAGFUIL-LBPRGKRZSA-N 1 0 306.435 2.435 10 0 DEAERO O=C(NCC1CC[NH+](C2CC2)CC1)NC1(CCO)CCCCC1 ZINC000555203960 291788707 /nfs/dbraw/zinc/78/87/07/291788707.db2.gz JAXXGXBBBLKCAG-UHFFFAOYSA-N 1 0 323.481 2.245 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)CCc1nc(-c2ccsc2)no1 ZINC000185428673 207366247 /nfs/dbraw/zinc/36/62/47/207366247.db2.gz GMBUYGHYRQNVEI-NWDGAFQWSA-N 1 0 320.418 2.117 10 0 DEAERO CCOC[C@@H](O)C[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000113501601 194596205 /nfs/dbraw/zinc/59/62/05/194596205.db2.gz KIPAGFUSDVMKNM-KRWDZBQOSA-N 1 0 307.434 2.347 10 0 DEAERO Cc1ccc(-c2nc(C(=O)N(C)CCC[NH+](C)C)cs2)n1C ZINC000537215099 284987271 /nfs/dbraw/zinc/98/72/71/284987271.db2.gz OTBJUNJJCCSSMC-UHFFFAOYSA-N 1 0 320.462 2.481 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000119875491 195052891 /nfs/dbraw/zinc/05/28/91/195052891.db2.gz IHHBRXRUNDCLLT-VIFPVBQESA-N 1 0 302.205 2.400 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Cc1cccc(Br)c1 ZINC000539417214 285076789 /nfs/dbraw/zinc/07/67/89/285076789.db2.gz FZJLXAZSFPJXPQ-UHFFFAOYSA-N 1 0 313.239 2.402 10 0 DEAERO COCCCOc1cccc(C(=O)N(C)CCC[NH+](C)C)c1 ZINC000539417576 285076829 /nfs/dbraw/zinc/07/68/29/285076829.db2.gz NTCGWUZDJWKKKA-UHFFFAOYSA-N 1 0 308.422 2.126 10 0 DEAERO C[NH2+][C@@H](CSc1nc2cc(OC)ccc2[nH]1)[C@@H]1CCOC1 ZINC000159261348 197339664 /nfs/dbraw/zinc/33/96/64/197339664.db2.gz RVMTULSUOLUMPM-YGRLFVJLSA-N 1 0 307.419 2.288 10 0 DEAERO C[NH2+][C@@H](CSc1nnc(C2CC2)n1C1CC1)[C@@H]1CCOC1 ZINC000159226294 197338096 /nfs/dbraw/zinc/33/80/96/197338096.db2.gz QDXFWPQWCFMILO-YPMHNXCESA-N 1 0 308.451 2.207 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000159235858 197337745 /nfs/dbraw/zinc/33/77/45/197337745.db2.gz UVKMUQGMBCDSKX-NUEKZKHPSA-N 1 0 317.433 2.014 10 0 DEAERO CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C1CCS(=O)CC1 ZINC000159201769 197334667 /nfs/dbraw/zinc/33/46/67/197334667.db2.gz OTIDKKLAIRFYID-FEDUSRTKSA-N 1 0 300.512 2.242 10 0 DEAERO C[C@H]1C[C@H]1NS(=O)(=O)c1ccc(F)c(C[NH2+]C(C)(C)C)c1 ZINC000159109909 197328202 /nfs/dbraw/zinc/32/82/02/197328202.db2.gz NUIWRCSDVBIPLI-IINYFYTJSA-N 1 0 314.426 2.401 10 0 DEAERO COCCOCCCC[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000159110507 197328041 /nfs/dbraw/zinc/32/80/41/197328041.db2.gz YGBJYNHAOYJGIZ-OAHLLOKOSA-N 1 0 301.814 2.406 10 0 DEAERO CC[NH2+][C@H](C[S@@](=O)c1ccc2c(c1)CCC2)[C@@H]1CCOC1 ZINC000159026325 197320047 /nfs/dbraw/zinc/32/00/47/197320047.db2.gz QGLDHWVESBFNKE-CEQIKUNHSA-N 1 0 307.459 2.298 10 0 DEAERO CC[C@@H]([NH3+])Cc1ccc(Sc2nnc(N(C)C)s2)nc1 ZINC000158964108 197314567 /nfs/dbraw/zinc/31/45/67/197314567.db2.gz FESWOYFJJCZIDY-SNVBAGLBSA-N 1 0 309.464 2.430 10 0 DEAERO COc1ccc(COCCCC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000120218119 195121890 /nfs/dbraw/zinc/12/18/90/195121890.db2.gz WYQZXGMJCLNFOY-MRXNPFEDSA-N 1 0 320.433 2.155 10 0 DEAERO CCc1ccsc1[C@H](O)c1c(OC)cnn1CC[NH+](C)C ZINC000158765239 197300165 /nfs/dbraw/zinc/30/01/65/197300165.db2.gz RQGNKDUSINVKSZ-CQSZACIVSA-N 1 0 309.435 2.159 10 0 DEAERO CC[NH2+]Cc1sccc1S(=O)(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000158754789 197299014 /nfs/dbraw/zinc/29/90/14/197299014.db2.gz OHWKDIIEHBNOHG-VXGBXAGGSA-N 1 0 314.476 2.278 10 0 DEAERO C[C@@H]1C[C@H](Nc2nc3ccc(Br)cn3n2)CC[N@@H+]1C ZINC000158443634 197272917 /nfs/dbraw/zinc/27/29/17/197272917.db2.gz YEEBLHYKBGULJI-MWLCHTKSSA-N 1 0 324.226 2.386 10 0 DEAERO Cn1ccc(-n2c(N)[nH+]c3cc(F)c(Br)cc32)n1 ZINC000158447995 197273028 /nfs/dbraw/zinc/27/30/28/197273028.db2.gz XUIOHOSYKVWZLM-UHFFFAOYSA-N 1 0 310.130 2.243 10 0 DEAERO NC(=S)c1c[nH+]c2ccccc2c1NC1CCS(=O)CC1 ZINC000158336700 197263179 /nfs/dbraw/zinc/26/31/79/197263179.db2.gz HNVHFBGLEWNJAY-UHFFFAOYSA-N 1 0 319.455 2.192 10 0 DEAERO CCc1nnc(NC(=O)NC2CCC(C[NH+](C)C)CC2)s1 ZINC000158258096 197257886 /nfs/dbraw/zinc/25/78/86/197257886.db2.gz IRDNTCHNTBWKIR-UHFFFAOYSA-N 1 0 311.455 2.342 10 0 DEAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCOCC(F)(F)F)[C@@H]2C1 ZINC000158009122 197234804 /nfs/dbraw/zinc/23/48/04/197234804.db2.gz KVCZXXMFGIOAQX-JHJVBQTASA-N 1 0 311.344 2.224 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)NCCC2CCC2)ccc1Cl ZINC000157515207 197193199 /nfs/dbraw/zinc/19/31/99/197193199.db2.gz NKHPIRCPFBWYLX-UHFFFAOYSA-N 1 0 302.827 2.267 10 0 DEAERO COc1cccc(CCNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000157424786 197186416 /nfs/dbraw/zinc/18/64/16/197186416.db2.gz CIFGUZTUSJWDDB-PBHICJAKSA-N 1 0 319.449 2.266 10 0 DEAERO COCC[NH2+]CCOc1c(Br)cccc1OC ZINC000157289487 197177525 /nfs/dbraw/zinc/17/75/25/197177525.db2.gz KKMUZKWTNKHNTD-UHFFFAOYSA-N 1 0 304.184 2.073 10 0 DEAERO CC(C)OCCN(C)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000157267654 197175302 /nfs/dbraw/zinc/17/53/02/197175302.db2.gz RWQMQMJOZFFWBG-UHFFFAOYSA-N 1 0 304.316 2.246 10 0 DEAERO C[NH2+][C@H](c1cc(C)c(Br)s1)c1cnnn1C ZINC000157040191 197157558 /nfs/dbraw/zinc/15/75/58/197157558.db2.gz SCJRPSZXCKPBNH-VIFPVBQESA-N 1 0 301.213 2.256 10 0 DEAERO C[C@](O)(Cc1cc(Br)cs1)C[C@H]1COCC[NH2+]1 ZINC000156923847 197150467 /nfs/dbraw/zinc/15/04/67/197150467.db2.gz IHLYWHBCVRYCPL-CMPLNLGQSA-N 1 0 320.252 2.183 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000156713111 197135140 /nfs/dbraw/zinc/13/51/40/197135140.db2.gz MRCGVJOGZDRZGR-UWVGGRQHSA-N 1 0 302.296 2.408 10 0 DEAERO CSC(C)(C)C[NH2+]C[C@H](O)COCCc1scnc1C ZINC000156680789 197132712 /nfs/dbraw/zinc/13/27/12/197132712.db2.gz VCEMLNAEFVWCCZ-LBPRGKRZSA-N 1 0 318.508 2.103 10 0 DEAERO COc1cc(CNc2cc(C)[nH+]c(C)c2C(N)=S)ccn1 ZINC000156674965 197132445 /nfs/dbraw/zinc/13/24/45/197132445.db2.gz UJKMVNBKBAFYER-UHFFFAOYSA-N 1 0 302.403 2.348 10 0 DEAERO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[S@@](C)=O)CC1 ZINC000156012538 197080210 /nfs/dbraw/zinc/08/02/10/197080210.db2.gz XVGQGFQKONAVDN-FPTDNZKUSA-N 1 0 322.474 2.097 10 0 DEAERO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(F)c1Br ZINC000155982500 197078271 /nfs/dbraw/zinc/07/82/71/197078271.db2.gz JJMMLGGMPUHCIT-QMMMGPOBSA-N 1 0 301.159 2.022 10 0 DEAERO C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[S@](=O)c1cccs1 ZINC000155968304 197077468 /nfs/dbraw/zinc/07/74/68/197077468.db2.gz JMBNHIRANBBSFH-CFMSYZGJSA-N 1 0 308.428 2.342 10 0 DEAERO COc1ccc(CCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000155452135 197056433 /nfs/dbraw/zinc/05/64/33/197056433.db2.gz QALSTHUXNKYBHQ-PBHICJAKSA-N 1 0 304.434 2.473 10 0 DEAERO CSCCC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000155262063 197037519 /nfs/dbraw/zinc/03/75/19/197037519.db2.gz GXPQIVMBHJQGOM-ZDUSSCGKSA-N 1 0 307.463 2.476 10 0 DEAERO CCC(CC)[C@@H](CNC(=O)Nc1cnc(N(C)C)nc1)[NH+](C)C ZINC000155068825 197018884 /nfs/dbraw/zinc/01/88/84/197018884.db2.gz YWNXEJZTQDUALA-CQSZACIVSA-N 1 0 322.457 2.031 10 0 DEAERO OC1(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CCC1 ZINC000408257276 285235895 /nfs/dbraw/zinc/23/58/95/285235895.db2.gz RUTUELSEHNOUDR-CQSZACIVSA-N 1 0 304.438 2.099 10 0 DEAERO O=C(NCC1CC[NH2+]CC1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000120602901 195200218 /nfs/dbraw/zinc/20/02/18/195200218.db2.gz CIYBGCFMKMXGQC-UHFFFAOYSA-N 1 0 318.808 2.255 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000120623403 195203438 /nfs/dbraw/zinc/20/34/38/195203438.db2.gz RKUQOEPSEALSLJ-RISCZKNCSA-N 1 0 323.824 2.220 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000177714920 285274870 /nfs/dbraw/zinc/27/48/70/285274870.db2.gz XMXXABFTCUFXGN-WMLDXEAASA-N 1 0 319.424 2.347 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000120589743 195196283 /nfs/dbraw/zinc/19/62/83/195196283.db2.gz PCAQGVXQOHKPBR-UHFFFAOYSA-N 1 0 321.396 2.023 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)c1nnnn1-c1ccccc1 ZINC000245459667 285275847 /nfs/dbraw/zinc/27/58/47/285275847.db2.gz DRFVRFYWZJXWSX-ZBFHGGJFSA-N 1 0 314.437 2.139 10 0 DEAERO CC(C)OC(=O)CCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000120671585 195213375 /nfs/dbraw/zinc/21/33/75/195213375.db2.gz SFZSIVCOTOVUSO-MRXNPFEDSA-N 1 0 320.433 2.007 10 0 DEAERO C[C@H](CC(=O)NC[C@@H](O)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000151450731 196682200 /nfs/dbraw/zinc/68/22/00/196682200.db2.gz HPVLFSMNHXLVBN-MLGOLLRUSA-N 1 0 308.397 2.001 10 0 DEAERO CC[C@H]1CN(Cc2ccc(COC)cc2)CC[N@@H+]1CCOC ZINC000120931817 195266348 /nfs/dbraw/zinc/26/63/48/195266348.db2.gz WSECATNXXAVLHO-SFHVURJKSA-N 1 0 306.450 2.376 10 0 DEAERO c1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2ccc3c(c2)OCO3)nc1 ZINC000248342647 257107509 /nfs/dbraw/zinc/10/75/09/257107509.db2.gz YOYFXKDQEPNCCL-LSDHHAIUSA-N 1 0 324.384 2.059 10 0 DEAERO c1csc(CN2CCO[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3C2)c1 ZINC000247818063 257117369 /nfs/dbraw/zinc/11/73/69/257117369.db2.gz FIUQQUMOASVMHH-PBHICJAKSA-N 1 0 322.474 2.060 10 0 DEAERO Cn1nc(C(C)(C)C)cc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000121075993 195290839 /nfs/dbraw/zinc/29/08/39/195290839.db2.gz RSYLBGDCTAFKHB-UHFFFAOYSA-N 1 0 318.465 2.418 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c(F)c1 ZINC000121828447 195356825 /nfs/dbraw/zinc/35/68/25/195356825.db2.gz AIEKAIPPKZHRSL-CYBMUJFWSA-N 1 0 323.412 2.165 10 0 DEAERO C[NH+]1CCC(CN2C(=O)C3(CC3)N[C@@H]2c2cccs2)CC1 ZINC000122019521 195390933 /nfs/dbraw/zinc/39/09/33/195390933.db2.gz KVNVGCMSQKKOIH-AWEZNQCLSA-N 1 0 305.447 2.053 10 0 DEAERO CCc1nn(C)c(CC(=O)C[C@H]([NH3+])C(C)C)c1Br ZINC000124909230 195692909 /nfs/dbraw/zinc/69/29/09/195692909.db2.gz PBDCPLOLVTYIAM-JTQLQIEISA-N 1 0 316.243 2.230 10 0 DEAERO CCOCCN(CCOCC)C(=O)[C@H](C)CCC[C@H](C)[NH3+] ZINC000125007535 195702845 /nfs/dbraw/zinc/70/28/45/195702845.db2.gz GDUOXNAGBJFTAC-CABCVRRESA-N 1 0 302.459 2.042 10 0 DEAERO NC(=[NH2+])c1cc(F)c(Sc2nnc3ccccn32)c(F)c1 ZINC000127115699 195850389 /nfs/dbraw/zinc/85/03/89/195850389.db2.gz CDACNEBXVFNBNZ-UHFFFAOYSA-N 1 0 305.313 2.443 10 0 DEAERO CC(C)(C)NC(=O)COc1ccc(Br)c(C[NH3+])c1 ZINC000127982550 195926601 /nfs/dbraw/zinc/92/66/01/195926601.db2.gz SMGAJFXRELRROP-UHFFFAOYSA-N 1 0 315.211 2.201 10 0 DEAERO 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10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CCOc3ccccc32)C1 ZINC000246637556 145109242 /nfs/dbraw/zinc/10/92/42/145109242.db2.gz DNMGBABCQJYOAH-HUUCEWRRSA-N 1 0 302.418 2.401 10 0 DEAERO CCc1nc([C@H](C)NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000246667412 145109954 /nfs/dbraw/zinc/10/99/54/145109954.db2.gz SXFGEBPVVPOZTJ-RYUDHWBXSA-N 1 0 308.451 2.256 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000246701385 145111303 /nfs/dbraw/zinc/11/13/03/145111303.db2.gz ZJOSJJFAVQJHJE-STQMWFEESA-N 1 0 314.426 2.237 10 0 DEAERO O=S(=O)(CCC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)c1ccccc1 ZINC000246784281 145114708 /nfs/dbraw/zinc/11/47/08/145114708.db2.gz QXYGTDXXFVWTMF-RDJZCZTQSA-N 1 0 323.458 2.351 10 0 DEAERO CC(C)CCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000246817443 145115997 /nfs/dbraw/zinc/11/59/97/145115997.db2.gz SCJYPBIQWIOZEP-ROUUACIJSA-N 1 0 318.461 2.422 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246889915 145118631 /nfs/dbraw/zinc/11/86/31/145118631.db2.gz HDGTUBKBADDKNS-WBVHZDCISA-N 1 0 317.433 2.081 10 0 DEAERO C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000246958425 145120594 /nfs/dbraw/zinc/12/05/94/145120594.db2.gz IKOXHHAFPYAXRE-LSDHHAIUSA-N 1 0 314.437 2.187 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1c(C)nn(C)c1C ZINC000247021348 145123473 /nfs/dbraw/zinc/12/34/73/145123473.db2.gz SQAWFLCUACYDEH-CVEARBPZSA-N 1 0 318.465 2.055 10 0 DEAERO CC[C@H]1CN(C(=O)c2cc(C)ccc2C)CC[N@@H+]1C[C@H](C)O ZINC000247043824 145124164 /nfs/dbraw/zinc/12/41/64/145124164.db2.gz YCCHWTZRMLFHIB-HOTGVXAUSA-N 1 0 304.434 2.221 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C(=O)OC)c1 ZINC000247043890 145124597 /nfs/dbraw/zinc/12/45/97/145124597.db2.gz VRRNYPMTZZTIQK-CVEARBPZSA-N 1 0 316.401 2.172 10 0 DEAERO CCOCC[N@@H+]1CCN(CCOc2ccccc2OC)C[C@H]1C ZINC000247112426 145127131 /nfs/dbraw/zinc/12/71/31/145127131.db2.gz IZEXGRKPYAFVTJ-MRXNPFEDSA-N 1 0 322.449 2.117 10 0 DEAERO Cc1ccc(OCC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(C)c1 ZINC000247142724 145127676 /nfs/dbraw/zinc/12/76/76/145127676.db2.gz JUYCSCGXXLMNFU-HZPDHXFCSA-N 1 0 302.418 2.377 10 0 DEAERO CSCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247177278 145128425 /nfs/dbraw/zinc/12/84/25/145128425.db2.gz KDDOQETWPMSTAS-UKRRQHHQSA-N 1 0 307.463 2.161 10 0 DEAERO C[C@H](CCc1cccn1C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247260480 145130660 /nfs/dbraw/zinc/13/06/60/145130660.db2.gz ZWIORLNLGIXHGY-VYDXJSESSA-N 1 0 318.465 2.224 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCCC[C@H]1O)c1ccccc1 ZINC000247283818 145131429 /nfs/dbraw/zinc/13/14/29/145131429.db2.gz TTZVAZSYLMUUII-BRWVUGGUSA-N 1 0 319.449 2.140 10 0 DEAERO C[C@H](C(=O)N1CCC(Cn2cccn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247371607 145135093 /nfs/dbraw/zinc/13/50/93/145135093.db2.gz NVFPWTRHOYJCFV-OWCLPIDISA-N 1 0 318.465 2.383 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(CCSc2ccc(F)cc2)C[C@@H]1C ZINC000247373093 145135365 /nfs/dbraw/zinc/13/53/65/145135365.db2.gz UYOAFZFPYFIDKV-KBPBESRZSA-N 1 0 312.454 2.305 10 0 DEAERO Cc1ncsc1CN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247462801 145137973 /nfs/dbraw/zinc/13/79/73/145137973.db2.gz UNLJPTXCKDFUKE-YPMHNXCESA-N 1 0 310.467 2.322 10 0 DEAERO COC(=O)c1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247491268 145138920 /nfs/dbraw/zinc/13/89/20/145138920.db2.gz UGRPHYWVNJKRTH-DOMZBBRYSA-N 1 0 317.389 2.174 10 0 DEAERO Cc1ccc(-c2cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)[nH]n2)o1 ZINC000247503894 145139824 /nfs/dbraw/zinc/13/98/24/145139824.db2.gz VHLSUHDLKWQUQZ-DGCLKSJQSA-N 1 0 314.389 2.287 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000247550409 145140685 /nfs/dbraw/zinc/14/06/85/145140685.db2.gz ZFHOXUIHYRTTFT-OCCSQVGLSA-N 1 0 317.389 2.158 10 0 DEAERO c1sc(-c2ccccn2)nc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247597855 145142062 /nfs/dbraw/zinc/14/20/62/145142062.db2.gz SVIXCWWPXHWXDI-AWEZNQCLSA-N 1 0 300.431 2.485 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(-c4ccco4)on3)CC[C@H]21 ZINC000247928137 145144642 /nfs/dbraw/zinc/14/46/42/145144642.db2.gz BTYJDPLENKPGEC-GXTWGEPZSA-N 1 0 315.373 2.491 10 0 DEAERO COCc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000247967958 145145508 /nfs/dbraw/zinc/14/55/08/145145508.db2.gz GZRNSXILYUJNSQ-IAGOWNOFSA-N 1 0 302.418 2.389 10 0 DEAERO CN(Cc1cccs1)C(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247949327 145145552 /nfs/dbraw/zinc/14/55/52/145145552.db2.gz DWVJLXBLMVCVCH-GDBMZVCRSA-N 1 0 321.490 2.123 10 0 DEAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248025724 145146161 /nfs/dbraw/zinc/14/61/61/145146161.db2.gz OXELYCZDTSZMAT-DFGXFYAUSA-N 1 0 308.466 2.403 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248039267 145147982 /nfs/dbraw/zinc/14/79/82/145147982.db2.gz SLDXRWFXEAFVDS-NUJGCVRESA-N 1 0 308.466 2.405 10 0 DEAERO C[C@@H](c1nc(-c2cccnc2)no1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248369785 145151731 /nfs/dbraw/zinc/15/17/31/145151731.db2.gz WRIDYCPGCHQRMV-ZFWWWQNUSA-N 1 0 313.405 2.363 10 0 DEAERO COc1ccc(F)cc1CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000248472810 145156715 /nfs/dbraw/zinc/15/67/15/145156715.db2.gz KCLVAEHUEQYMEI-SWLSCSKDSA-N 1 0 308.397 2.222 10 0 DEAERO COc1ccccc1N1CC[C@H]([N@H+](C)[C@@H](CO)CC(C)C)C1=O ZINC000248755545 145166147 /nfs/dbraw/zinc/16/61/47/145166147.db2.gz PJMIFAMYZHEXBF-ZBFHGGJFSA-N 1 0 320.433 2.139 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000248824372 145168670 /nfs/dbraw/zinc/16/86/70/145168670.db2.gz LRHFIUSCLKTVSK-GVDBMIGSSA-N 1 0 317.433 2.252 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000248867907 145170821 /nfs/dbraw/zinc/17/08/21/145170821.db2.gz QHOVEKRRWUUVIQ-BVUBDWEXSA-N 1 0 309.454 2.068 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCC[C@H]2CCCCO2)CC[N@@H+]1C ZINC000248887561 145172392 /nfs/dbraw/zinc/17/23/92/145172392.db2.gz QVNDIPKXBSKFJS-OWCLPIDISA-N 1 0 311.470 2.460 10 0 DEAERO CCOC1CC(CCNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000248959788 145174348 /nfs/dbraw/zinc/17/43/48/145174348.db2.gz PLLKOQCDBPNHDC-LMPOIIKSSA-N 1 0 311.470 2.220 10 0 DEAERO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000248986364 145175390 /nfs/dbraw/zinc/17/53/90/145175390.db2.gz KADICSSBIJCDOD-RHSMWYFYSA-N 1 0 319.449 2.238 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1CCC2(CC1)OCCO2 ZINC000249095480 145178372 /nfs/dbraw/zinc/17/83/72/145178372.db2.gz VHZOVMZYEDCESX-HOCLYGCPSA-N 1 0 322.449 2.005 10 0 DEAERO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000249110749 145178927 /nfs/dbraw/zinc/17/89/27/145178927.db2.gz XVCUMZCZWIZWPK-FQLMCAECSA-N 1 0 302.418 2.198 10 0 DEAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000249327562 145182039 /nfs/dbraw/zinc/18/20/39/145182039.db2.gz SOSVFFGYJDBMPV-XBFCOCLRSA-N 1 0 308.809 2.460 10 0 DEAERO C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249576152 145187020 /nfs/dbraw/zinc/18/70/20/145187020.db2.gz POFAUUGAXDEKJN-FVQBIDKESA-N 1 0 322.474 2.157 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000249742029 145189028 /nfs/dbraw/zinc/18/90/28/145189028.db2.gz JGFSYOUENCSDSY-ZBFHGGJFSA-N 1 0 306.454 2.442 10 0 DEAERO CO[C@@H]1CN([C@H](C)C(=O)Nc2ccnn2C(C)C)CC[C@H]1C ZINC000252015761 145198519 /nfs/dbraw/zinc/19/85/19/145198519.db2.gz YEEDVNVVEKVDPX-MGPQQGTHSA-N 1 0 308.426 2.148 10 0 DEAERO CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000253355387 145202060 /nfs/dbraw/zinc/20/20/60/145202060.db2.gz ASYGUDOANWNNEW-RHSMWYFYSA-N 1 0 315.454 2.074 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000253556146 145203271 /nfs/dbraw/zinc/20/32/71/145203271.db2.gz RNCYKLVIEKHQSO-RDJZCZTQSA-N 1 0 311.385 2.271 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000261552892 145206834 /nfs/dbraw/zinc/20/68/34/145206834.db2.gz SAOKMDRXZMIIMC-NVXWUHKLSA-N 1 0 303.450 2.094 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c(C)s1 ZINC000261565287 145207956 /nfs/dbraw/zinc/20/79/56/145207956.db2.gz DZWXWTYLUCJVTF-GFCCVEGCSA-N 1 0 302.465 2.113 10 0 DEAERO C[C@H](CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)(C)C ZINC000261659692 145214205 /nfs/dbraw/zinc/21/42/05/145214205.db2.gz BAGRAXRIOGKFLL-VXGBXAGGSA-N 1 0 323.403 2.011 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cnc(-c2ccncc2)s1 ZINC000261680657 145216217 /nfs/dbraw/zinc/21/62/17/145216217.db2.gz BVTAQBFNGWPWLY-GHMZBOCLSA-N 1 0 302.403 2.014 10 0 DEAERO C[C@H]([NH3+])CC(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000261697464 145217510 /nfs/dbraw/zinc/21/75/10/145217510.db2.gz CJLWRTKGNBHBCU-NSHDSACASA-N 1 0 312.435 2.076 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000261736357 145221645 /nfs/dbraw/zinc/22/16/45/145221645.db2.gz NLEULJXRTJJVSQ-UHFFFAOYSA-N 1 0 300.377 2.398 10 0 DEAERO C[C@@H]1CC[C@H](CCC(=O)N(CC[NH3+])CCc2ccccc2)O1 ZINC000261744651 145222041 /nfs/dbraw/zinc/22/20/41/145222041.db2.gz OIXUSRNNEHMQLI-NVXWUHKLSA-N 1 0 304.434 2.364 10 0 DEAERO CC1(C)CN(C(=O)COc2ccc(F)c(Cl)c2)CC[C@H]1[NH3+] ZINC000261762523 145223167 /nfs/dbraw/zinc/22/31/67/145223167.db2.gz FISIGDNHLWBTIN-CYBMUJFWSA-N 1 0 314.788 2.444 10 0 DEAERO C[C@H]1CCN(C(=O)Cc2coc(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000261777320 145224846 /nfs/dbraw/zinc/22/48/46/145224846.db2.gz KWMPYUINVIAORB-XJKSGUPXSA-N 1 0 313.401 2.470 10 0 DEAERO COc1cc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cc2c1OCCO2 ZINC000261783704 145225932 /nfs/dbraw/zinc/22/59/32/145225932.db2.gz UGBZVATUTQHASJ-OAHLLOKOSA-N 1 0 306.406 2.026 10 0 DEAERO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261790739 145226621 /nfs/dbraw/zinc/22/66/21/145226621.db2.gz NMMKSLSHCNJYTJ-IUODEOHRSA-N 1 0 323.868 2.404 10 0 DEAERO Cc1noc(-c2ccccc2C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261805110 145228342 /nfs/dbraw/zinc/22/83/42/145228342.db2.gz JETICOZSOIAREF-AWEZNQCLSA-N 1 0 314.389 2.244 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(C(F)(F)F)cc1 ZINC000261807801 145228810 /nfs/dbraw/zinc/22/88/10/145228810.db2.gz ONRZIFAUIPXSMU-BIMULSAOSA-N 1 0 316.323 2.389 10 0 DEAERO COCc1cccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261810775 145229022 /nfs/dbraw/zinc/22/90/22/145229022.db2.gz GMSVMCHRHVQCCD-IIDMSEBBSA-N 1 0 318.417 2.304 10 0 DEAERO Cc1c(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cnn1-c1ccccc1 ZINC000261809232 145229076 /nfs/dbraw/zinc/22/90/76/145229076.db2.gz HKAOVPOTJBOLAL-INIZCTEOSA-N 1 0 312.417 2.380 10 0 DEAERO CC(C)n1cc2cc(NC(=O)C3([NH3+])CCOCC3)ccc2n1 ZINC000261840746 145232423 /nfs/dbraw/zinc/23/24/23/145232423.db2.gz LQFPHKXQBPTJCG-UHFFFAOYSA-N 1 0 302.378 2.064 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H](O)c1cc2ccccc2s1 ZINC000261839152 145232565 /nfs/dbraw/zinc/23/25/65/145232565.db2.gz UUNLTDPLUAJNPD-MGPQQGTHSA-N 1 0 318.442 2.426 10 0 DEAERO CCc1ccccc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000261845465 145233089 /nfs/dbraw/zinc/23/30/89/145233089.db2.gz IYZVNUXTWQSIEZ-TXPKVOOTSA-N 1 0 316.445 2.398 10 0 DEAERO Cc1ccc(C)c(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000261851061 145233970 /nfs/dbraw/zinc/23/39/70/145233970.db2.gz DNMRVHHBJFAKMJ-XYPWUTKMSA-N 1 0 301.434 2.457 10 0 DEAERO Cc1cc(C)c(CCNC(=O)C2(C[NH3+])CCOCC2)c(C)c1 ZINC000261859077 145234393 /nfs/dbraw/zinc/23/43/93/145234393.db2.gz BYMRQPYFPHYJRS-UHFFFAOYSA-N 1 0 304.434 2.026 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261868056 145235355 /nfs/dbraw/zinc/23/53/55/145235355.db2.gz SAZVAMIIFCEMBQ-CZUORRHYSA-N 1 0 320.481 2.284 10 0 DEAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1noc(C2CC2)n1 ZINC000261874819 145236211 /nfs/dbraw/zinc/23/62/11/145236211.db2.gz XWZMGEIYFNZUBW-CQSZACIVSA-N 1 0 314.389 2.102 10 0 DEAERO Cc1ccccc1CNC(=O)[C@@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261872752 145236243 /nfs/dbraw/zinc/23/62/43/145236243.db2.gz TVBGQKRLOKKGTH-GDBMZVCRSA-N 1 0 303.450 2.059 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1ccc(F)c(F)c1 ZINC000261878062 145236827 /nfs/dbraw/zinc/23/68/27/145236827.db2.gz MEAJIYSNQHUMPH-JDSLSITLSA-N 1 0 324.371 2.114 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)C[C@@H]2CCC[C@H]2[NH3+])no1 ZINC000261882329 145237114 /nfs/dbraw/zinc/23/71/14/145237114.db2.gz ZFTKLLCOYANFTH-XQQFMLRXSA-N 1 0 306.410 2.374 10 0 DEAERO [NH3+]C1(C(=O)Nc2ncc(-c3ccccc3)s2)CCOCC1 ZINC000261908088 145240498 /nfs/dbraw/zinc/24/04/98/145240498.db2.gz SNARMIJWZISOEM-UHFFFAOYSA-N 1 0 303.387 2.257 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261910866 145240918 /nfs/dbraw/zinc/24/09/18/145240918.db2.gz QEUHSYJGUZOUQU-GPMSIDNRSA-N 1 0 316.445 2.486 10 0 DEAERO C[C@H]1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000261915557 145240993 /nfs/dbraw/zinc/24/09/93/145240993.db2.gz YCQGZLQBWODVBI-YOEHRIQHSA-N 1 0 312.417 2.001 10 0 DEAERO C[C@H](c1nc(-c2cccnc2)no1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261928210 145243473 /nfs/dbraw/zinc/24/34/73/145243473.db2.gz ZNMPTLLGGGFDBZ-YPMHNXCESA-N 1 0 301.394 2.252 10 0 DEAERO C[NH2+]C[C@H]1CCCN(Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261939237 145244778 /nfs/dbraw/zinc/24/47/78/145244778.db2.gz MLIVHLQRJHCHBJ-CYBMUJFWSA-N 1 0 305.447 2.031 10 0 DEAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261951700 145246580 /nfs/dbraw/zinc/24/65/80/145246580.db2.gz PXELZSKPSXNBBV-IAGOWNOFSA-N 1 0 316.445 2.267 10 0 DEAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@@H]2CC(C)(C)C)cn1 ZINC000261997005 145250842 /nfs/dbraw/zinc/25/08/42/145250842.db2.gz UDNCNXYMWVZAFL-OAGGEKHMSA-N 1 0 318.465 2.150 10 0 DEAERO O=C(NCC1C[NH2+]C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000262008283 145252723 /nfs/dbraw/zinc/25/27/23/145252723.db2.gz IYUUFCDHRUCWCJ-UHFFFAOYSA-N 1 0 312.335 2.463 10 0 DEAERO [NH3+]C1(c2noc([C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)n2)CCC1 ZINC000262007653 145253063 /nfs/dbraw/zinc/25/30/63/145253063.db2.gz USAHJWAJLNQUTD-NWDGAFQWSA-N 1 0 313.357 2.450 10 0 DEAERO CCc1noc(-c2ccc(C)c(NC(=O)[C@H](C)C3C[NH2+]C3)c2)n1 ZINC000262025512 145254775 /nfs/dbraw/zinc/25/47/75/145254775.db2.gz AAQSDALHPCKBQK-LLVKDONJSA-N 1 0 314.389 2.401 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)Oc1ccccc1F ZINC000262038498 145256147 /nfs/dbraw/zinc/25/61/47/145256147.db2.gz YHJIZKSHNRFTOK-MUIFIZLQSA-N 1 0 322.424 2.340 10 0 DEAERO CCCOc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000262042335 145256349 /nfs/dbraw/zinc/25/63/49/145256349.db2.gz QHXIUIPKMAMJNC-MAZHCROVSA-N 1 0 306.406 2.159 10 0 DEAERO C[C@@H](CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)NC(=O)C1CCCCC1 ZINC000262108962 145262359 /nfs/dbraw/zinc/26/23/59/145262359.db2.gz VOWWONUXTCDAQC-DZGCQCFKSA-N 1 0 323.481 2.047 10 0 DEAERO C[C@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[C@H]1c1ccccc1 ZINC000262115431 145262998 /nfs/dbraw/zinc/26/29/98/145262998.db2.gz FOWFFJAFOYRYGF-DOTOQJQBSA-N 1 0 316.445 2.394 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000262152619 145266255 /nfs/dbraw/zinc/26/62/55/145266255.db2.gz XOFSNJAWNKNBBV-HNJNHCNJSA-N 1 0 315.417 2.092 10 0 DEAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1nc(C(C)C)no1 ZINC000262275015 145273094 /nfs/dbraw/zinc/27/30/94/145273094.db2.gz TVCVJUUMUFPRFZ-AWEZNQCLSA-N 1 0 316.405 2.348 10 0 DEAERO O=C(N[C@H](COc1ccccc1F)c1ccccc1)C1C[NH2+]C1 ZINC000262299946 145274039 /nfs/dbraw/zinc/27/40/39/145274039.db2.gz ZKLNNYUNXRYRCF-MRXNPFEDSA-N 1 0 314.360 2.281 10 0 DEAERO Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262333225 145277026 /nfs/dbraw/zinc/27/70/26/145277026.db2.gz DVZJKSWJTRWFPX-GFCCVEGCSA-N 1 0 312.373 2.371 10 0 DEAERO C[C@@H](C(=O)NC1(c2ccc(Cl)cc2)CCOCC1)C1C[NH2+]C1 ZINC000262350503 145278634 /nfs/dbraw/zinc/27/86/34/145278634.db2.gz GIQUIKYSRPHOCB-GFCCVEGCSA-N 1 0 322.836 2.317 10 0 DEAERO Cc1cc(C)c(NC(=O)CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000262391866 145280718 /nfs/dbraw/zinc/28/07/18/145280718.db2.gz BHNRMHNHQHMCIT-ZIAGYGMSSA-N 1 0 321.852 2.437 10 0 DEAERO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262398426 145281470 /nfs/dbraw/zinc/28/14/70/145281470.db2.gz QSIBLPMFJVKLCQ-ZFWWWQNUSA-N 1 0 317.433 2.460 10 0 DEAERO CCO[C@@H](C)c1nc(CN(C)C(=O)[C@H](C)C2C[NH2+]C2)cs1 ZINC000262394700 145281523 /nfs/dbraw/zinc/28/15/23/145281523.db2.gz OSDBSXOIKJREIY-MNOVXSKESA-N 1 0 311.451 2.055 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2cccc3ncccc32)C1 ZINC000262421291 145282540 /nfs/dbraw/zinc/28/25/40/145282540.db2.gz FBDWGTMEWZTGEP-QWHCGFSZSA-N 1 0 319.430 2.031 10 0 DEAERO [NH3+]CC1(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000262416147 145283046 /nfs/dbraw/zinc/28/30/46/145283046.db2.gz ZSEKVZFQLGQWCQ-RYUDHWBXSA-N 1 0 322.371 2.227 10 0 DEAERO COC(=O)[C@H](C)[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000262480859 145286343 /nfs/dbraw/zinc/28/63/43/145286343.db2.gz YAHBCTPUIMDOEW-XRGAULLZSA-N 1 0 318.417 2.041 10 0 DEAERO Cc1ccccc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262558325 145292972 /nfs/dbraw/zinc/29/29/72/145292972.db2.gz USJKAXYOUUZJNS-RVKKMQEKSA-N 1 0 302.418 2.144 10 0 DEAERO COCCOc1c(Cl)cccc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262556448 145293052 /nfs/dbraw/zinc/29/30/52/145293052.db2.gz PPKZFHDPKQRFRR-JTQLQIEISA-N 1 0 312.797 2.159 10 0 DEAERO C[C@H](C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)C1C[NH2+]C1 ZINC000262564808 145293557 /nfs/dbraw/zinc/29/35/57/145293557.db2.gz RJGBIJADFBARGV-YUTCNCBUSA-N 1 0 308.447 2.018 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)NC3(C[NH3+])CCCC3)nc21 ZINC000262580735 145295114 /nfs/dbraw/zinc/29/51/14/145295114.db2.gz OISJYJIEBMJLTD-UHFFFAOYSA-N 1 0 300.406 2.192 10 0 DEAERO Cc1ccc([C@@H]([NH3+])C(=O)NCc2nccn2CC(C)C)cc1 ZINC000262611512 145296776 /nfs/dbraw/zinc/29/67/76/145296776.db2.gz BYINWUMJWMNGAI-MRXNPFEDSA-N 1 0 300.406 2.164 10 0 DEAERO CN(Cc1ccc(F)cc1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262702229 145300909 /nfs/dbraw/zinc/30/09/09/145300909.db2.gz CMFNVQCTDKYOAG-HNNXBMFYSA-N 1 0 316.380 2.219 10 0 DEAERO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262723134 145302192 /nfs/dbraw/zinc/30/21/92/145302192.db2.gz GHGDIHGAAXCGEZ-WFASDCNBSA-N 1 0 313.401 2.307 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262777404 145305202 /nfs/dbraw/zinc/30/52/02/145305202.db2.gz NWQTWKLMWYYPCW-MNOVXSKESA-N 1 0 302.827 2.019 10 0 DEAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC(F)(F)CN2)c1 ZINC000262950883 145313704 /nfs/dbraw/zinc/31/37/04/145313704.db2.gz JPWWXSHAQGFHFG-CQSZACIVSA-N 1 0 311.376 2.464 10 0 DEAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H](O)c1ccc(Cl)s1 ZINC000263197892 145335727 /nfs/dbraw/zinc/33/57/27/145335727.db2.gz IRQYZCFNDDUTBT-BHDSKKPTSA-N 1 0 316.854 2.459 10 0 DEAERO Cc1ccccc1SCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263204722 145336155 /nfs/dbraw/zinc/33/61/55/145336155.db2.gz JOEISJNOCZYBOX-GFCCVEGCSA-N 1 0 304.419 2.246 10 0 DEAERO CC(C)c1ccc(OCc2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263203915 145336246 /nfs/dbraw/zinc/33/62/46/145336246.db2.gz JKAWPPJLNOALAE-HNNXBMFYSA-N 1 0 316.405 2.348 10 0 DEAERO CCOc1ccc(/C=C/c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263213559 145336792 /nfs/dbraw/zinc/33/67/92/145336792.db2.gz KNFYCTADOHXIRR-RZIFZGNASA-N 1 0 314.389 2.215 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000336719527 145398135 /nfs/dbraw/zinc/39/81/35/145398135.db2.gz SONLNJKMJLCXBC-INIZCTEOSA-N 1 0 304.434 2.128 10 0 DEAERO Cc1ccc(N2CC[C@@H](N3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cc1 ZINC000261741059 292136490 /nfs/dbraw/zinc/13/64/90/292136490.db2.gz KMWMHSWAVTWPEJ-HZPDHXFCSA-N 1 0 301.434 2.160 10 0 DEAERO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000357125307 147046698 /nfs/dbraw/zinc/04/66/98/147046698.db2.gz ZUXSDWZSTKXTTA-ZIAGYGMSSA-N 1 0 320.433 2.499 10 0 DEAERO c1ccc(-n2nnnc2CC[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000357393702 147099192 /nfs/dbraw/zinc/09/91/92/147099192.db2.gz URAWYBPFJOGDSX-UHFFFAOYSA-N 1 0 320.400 2.264 10 0 DEAERO COC1CCC([NH2+][C@@H](c2nccn2C)C2CCOCC2)CC1 ZINC000336912327 292160134 /nfs/dbraw/zinc/16/01/34/292160134.db2.gz JFTTYPATLZLNLW-UYSNPLJNSA-N 1 0 307.438 2.435 10 0 DEAERO Cn1cnc(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000358380428 147122759 /nfs/dbraw/zinc/12/27/59/147122759.db2.gz LBCHOUWRCVVCFG-GDBMZVCRSA-N 1 0 300.406 2.115 10 0 DEAERO Cc1cccc(C(C)C)c1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358433522 147133908 /nfs/dbraw/zinc/13/39/08/147133908.db2.gz HYIBEVMYTRKCBY-KRWDZBQOSA-N 1 0 305.422 2.307 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)Cc1nc2ccccc2n1C ZINC000358709503 147187254 /nfs/dbraw/zinc/18/72/54/147187254.db2.gz AEAJZOOQNFFBQA-MRXNPFEDSA-N 1 0 314.433 2.406 10 0 DEAERO CC(=O)Nc1cccc(-n2cnnc2SC[C@@H](C)[NH+](C)C)c1 ZINC000358857129 147219967 /nfs/dbraw/zinc/21/99/67/147219967.db2.gz YJWKHCOPDIJNIJ-LLVKDONJSA-N 1 0 319.434 2.268 10 0 DEAERO COCCN(C(=O)NCC[N@H+]1CC=C(C)CC1)[C@@H]1CC[C@H](C)C1 ZINC000359285291 147299738 /nfs/dbraw/zinc/29/97/38/147299738.db2.gz ZWBSACRUGZSZIZ-DLBZAZTESA-N 1 0 323.481 2.485 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000360632773 147363569 /nfs/dbraw/zinc/36/35/69/147363569.db2.gz KMSNWWOVAYDISX-SWLSCSKDSA-N 1 0 308.447 2.378 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360712965 147372513 /nfs/dbraw/zinc/37/25/13/147372513.db2.gz KUZYVWGBOARAIX-IUODEOHRSA-N 1 0 315.421 2.045 10 0 DEAERO CC1(C)C[N@H+](CCOc2cccc(F)c2)C[C@]2(CCOC2)O1 ZINC000361528767 147530396 /nfs/dbraw/zinc/53/03/96/147530396.db2.gz WIYORYAJIDLXPW-KRWDZBQOSA-N 1 0 309.381 2.474 10 0 DEAERO CC(=O)N(c1nc(CN2CCOCC[C@@H]2C)cs1)C1CC1 ZINC000374998694 148314220 /nfs/dbraw/zinc/31/42/20/148314220.db2.gz NVGVIXFFBXPSSS-NSHDSACASA-N 1 0 309.435 2.269 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000073896254 401724080 /nfs/dbraw/zinc/72/40/80/401724080.db2.gz LLERNUWBHSHDTM-CJNGLKHVSA-N 1 0 315.417 2.107 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCc3ccccc32)C1 ZINC000111836861 401725529 /nfs/dbraw/zinc/72/55/29/401725529.db2.gz PXLAMAVLMFGKST-HOTGVXAUSA-N 1 0 301.434 2.500 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3c2CCCC3)[C@H](C)C1 ZINC000127329242 401729196 /nfs/dbraw/zinc/72/91/96/401729196.db2.gz MAUNJBYBIJIEMC-IUODEOHRSA-N 1 0 304.438 2.091 10 0 DEAERO Cc1cccnc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074106663 401730097 /nfs/dbraw/zinc/73/00/97/401730097.db2.gz JPVSBLJQQIIEQG-GOOCMWNKSA-N 1 0 302.422 2.205 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(Cc2cnc3nc(C)cc(C)n23)C1 ZINC000127349199 401730402 /nfs/dbraw/zinc/73/04/02/401730402.db2.gz RZTFWQGFISMFMO-HNNXBMFYSA-N 1 0 301.438 2.262 10 0 DEAERO C[C@H](NC(=O)C1CC[NH+](C)CC1)c1cccc(-n2ccnc2)c1 ZINC000074173944 401732632 /nfs/dbraw/zinc/73/26/32/401732632.db2.gz DSAKNUHRRRUCGA-AWEZNQCLSA-N 1 0 312.417 2.391 10 0 DEAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc(O)c1 ZINC000112459296 401746595 /nfs/dbraw/zinc/74/65/95/401746595.db2.gz GBBYXCVFNWOBAO-UKRRQHHQSA-N 1 0 303.406 2.333 10 0 DEAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccncc2)ncn1 ZINC000111227153 401701321 /nfs/dbraw/zinc/70/13/21/401701321.db2.gz NBPAKKRERLVBBF-HIFRSBDPSA-N 1 0 312.421 2.233 10 0 DEAERO COc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000008031287 401747521 /nfs/dbraw/zinc/74/75/21/401747521.db2.gz POGCKSOLACIDOC-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ncccn2)cc1F ZINC000112518077 401747785 /nfs/dbraw/zinc/74/77/85/401747785.db2.gz VFEJMMQZFFLRIG-WDEREUQCSA-N 1 0 318.352 2.302 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072897644 401713509 /nfs/dbraw/zinc/71/35/09/401713509.db2.gz PYAONOSOUBMUBR-OLZOCXBDSA-N 1 0 303.406 2.235 10 0 DEAERO Brc1cncnc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127017581 401716769 /nfs/dbraw/zinc/71/67/69/401716769.db2.gz LFDGZWSCPHTVOB-NSHDSACASA-N 1 0 311.227 2.161 10 0 DEAERO O[C@@H](COCc1ccccc1)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000076681555 401798675 /nfs/dbraw/zinc/79/86/75/401798675.db2.gz IGBPRWQRHJJHBX-RBUKOAKNSA-N 1 0 318.461 2.124 10 0 DEAERO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)C[C@H](C)O1 ZINC000114495414 401802441 /nfs/dbraw/zinc/80/24/41/401802441.db2.gz QYYTWTDYFOYGKQ-JZXOWHBKSA-N 1 0 306.450 2.445 10 0 DEAERO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@]3(CC=CCC3)C2)C1=O ZINC000114493929 401802578 /nfs/dbraw/zinc/80/25/78/401802578.db2.gz ZFCOXFGIDWLRFE-QGZVFWFLSA-N 1 0 305.422 2.139 10 0 DEAERO COc1cc2c(c(CN3CC[NH+](C4CC4)CC3)c1)O[C@H](C)C2 ZINC000127879160 401753887 /nfs/dbraw/zinc/75/38/87/401753887.db2.gz ZLHVWIPOOUOLMA-CYBMUJFWSA-N 1 0 302.418 2.299 10 0 DEAERO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCC3(C)COC3)C2)CC1 ZINC000112753331 401757478 /nfs/dbraw/zinc/75/74/78/401757478.db2.gz LCVPRFSSJIDIAE-MRXNPFEDSA-N 1 0 323.481 2.176 10 0 DEAERO CCCC1(CNC(=O)NC[C@H]2CCC[N@@H+]2CCOC)CCC1 ZINC000128035379 401760236 /nfs/dbraw/zinc/76/02/36/401760236.db2.gz RZMDHEPDESHUNW-OAHLLOKOSA-N 1 0 311.470 2.367 10 0 DEAERO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000112897502 401761226 /nfs/dbraw/zinc/76/12/26/401761226.db2.gz IWMRFMHSUHPNRU-CMPLNLGQSA-N 1 0 314.788 2.409 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C)cc2OC)C1 ZINC000128076007 401762006 /nfs/dbraw/zinc/76/20/06/401762006.db2.gz ZPDYTXKLKZENPI-HNNXBMFYSA-N 1 0 305.422 2.287 10 0 DEAERO C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000128115529 401763659 /nfs/dbraw/zinc/76/36/59/401763659.db2.gz GQOBSLZLOVUUFF-SJORKVTESA-N 1 0 302.418 2.389 10 0 DEAERO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000075831424 401769553 /nfs/dbraw/zinc/76/95/53/401769553.db2.gz NALPMJFPXXWTHC-HNNXBMFYSA-N 1 0 320.437 2.389 10 0 DEAERO CC(C)[N@H+](CC(=O)NCc1ccccc1F)C1CCOCC1 ZINC000077323024 401810089 /nfs/dbraw/zinc/81/00/89/401810089.db2.gz OOROETNTGPKHHM-UHFFFAOYSA-N 1 0 308.397 2.331 10 0 DEAERO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000075885848 401772977 /nfs/dbraw/zinc/77/29/77/401772977.db2.gz JOLIPZSOWCGWGQ-ROUUACIJSA-N 1 0 318.461 2.231 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCCC1=CCCCC1 ZINC000113268338 401773921 /nfs/dbraw/zinc/77/39/21/401773921.db2.gz ANZAHPUUVPHEAO-NVXWUHKLSA-N 1 0 305.466 2.162 10 0 DEAERO Cc1cc(C)cc(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113268293 401773946 /nfs/dbraw/zinc/77/39/46/401773946.db2.gz WWRZZDSEEXWNLF-RDJZCZTQSA-N 1 0 301.434 2.410 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CC1CCCCC1 ZINC000113305823 401775818 /nfs/dbraw/zinc/77/58/18/401775818.db2.gz TVJDGKAOLWNPFD-UKRRQHHQSA-N 1 0 300.468 2.065 10 0 DEAERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCc1ccccc1F ZINC000128476247 401778586 /nfs/dbraw/zinc/77/85/86/401778586.db2.gz UZJGQYMLTKDXSE-CRAIPNDOSA-N 1 0 320.408 2.069 10 0 DEAERO C[NH+](C)CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113443961 401779342 /nfs/dbraw/zinc/77/93/42/401779342.db2.gz PKMOYQATBAOMHB-OAHLLOKOSA-N 1 0 312.417 2.344 10 0 DEAERO COc1cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc(OC)c1 ZINC000128518421 401780879 /nfs/dbraw/zinc/78/08/79/401780879.db2.gz YGRRBDACCGZDDE-CQSZACIVSA-N 1 0 316.405 2.208 10 0 DEAERO Cc1csc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000113613676 401784037 /nfs/dbraw/zinc/78/40/37/401784037.db2.gz ZKUJVKQJWVMRDF-RWMBFGLXSA-N 1 0 308.451 2.391 10 0 DEAERO CCC[NH+](CCC)CCCNC(=O)c1cnn2ccc(C)nc12 ZINC000076225016 401787374 /nfs/dbraw/zinc/78/73/74/401787374.db2.gz SQPMFWHNBRCYBW-UHFFFAOYSA-N 1 0 317.437 2.280 10 0 DEAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@H](O)Cn3cccn3)C2)cc1 ZINC000076393737 401794266 /nfs/dbraw/zinc/79/42/66/401794266.db2.gz LKECWIRXPBIGAO-OIISXLGYSA-N 1 0 315.417 2.131 10 0 DEAERO CC[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H]1CCCO1 ZINC000128871838 401795344 /nfs/dbraw/zinc/79/53/44/401795344.db2.gz QCOSIOCNRPEQHR-CVEARBPZSA-N 1 0 309.454 2.214 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3nccn3c2)[C@H](C)C1 ZINC000076484297 401796347 /nfs/dbraw/zinc/79/63/47/401796347.db2.gz KBEFIWLZCJDERJ-HIFRSBDPSA-N 1 0 300.406 2.137 10 0 DEAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCC2(C)COC2)c1 ZINC000114968106 401816731 /nfs/dbraw/zinc/81/67/31/401816731.db2.gz WQSFNXKLAHAQOR-UHFFFAOYSA-N 1 0 319.449 2.105 10 0 DEAERO CC(C)(C(=O)NC[C@@H]1CN(C2CC2)CCO1)c1ccccc1F ZINC000115151006 401819858 /nfs/dbraw/zinc/81/98/58/401819858.db2.gz JSLOYEXLZOAZHC-CQSZACIVSA-N 1 0 320.408 2.083 10 0 DEAERO CC[C@@H]1CCC[C@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000077547723 401820193 /nfs/dbraw/zinc/82/01/93/401820193.db2.gz KVTDYEONCXWTKM-CVEARBPZSA-N 1 0 311.470 2.367 10 0 DEAERO Cc1cc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)n(C)n1 ZINC000115635902 401834113 /nfs/dbraw/zinc/83/41/13/401834113.db2.gz PWPXKYGOJXOHQX-UHFFFAOYSA-N 1 0 319.384 2.251 10 0 DEAERO CN(C[C@H]1CCCO1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115844855 401838655 /nfs/dbraw/zinc/83/86/55/401838655.db2.gz XCTHVPKVGJFMPJ-OAHLLOKOSA-N 1 0 323.412 2.208 10 0 DEAERO COc1ccc(CC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1 ZINC000116275107 401847943 /nfs/dbraw/zinc/84/79/43/401847943.db2.gz TUUNWZDEUNKWNR-QGZVFWFLSA-N 1 0 302.418 2.180 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(F)cc3)C2)cn1 ZINC000116317401 401849364 /nfs/dbraw/zinc/84/93/64/401849364.db2.gz DVBZNQSAZXWSEG-CYBMUJFWSA-N 1 0 316.380 2.377 10 0 DEAERO Cn1cc([C@H]2CC[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C2)cn1 ZINC000116311607 401849407 /nfs/dbraw/zinc/84/94/07/401849407.db2.gz HPAOVMYXBOLZFZ-WMLDXEAASA-N 1 0 310.401 2.015 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)CCO1 ZINC000116795829 401859483 /nfs/dbraw/zinc/85/94/83/401859483.db2.gz ILRIZEXLAMMGRW-HNNXBMFYSA-N 1 0 322.836 2.161 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccc3ccccc3c2)CCO1 ZINC000116796549 401859886 /nfs/dbraw/zinc/85/98/86/401859886.db2.gz PEOBPPHKVVNOGZ-SFHVURJKSA-N 1 0 312.413 2.171 10 0 DEAERO C[C@@H](CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cccc(F)c1 ZINC000116797054 401860059 /nfs/dbraw/zinc/86/00/59/401860059.db2.gz UVDRMOPECBOVLU-BBRMVZONSA-N 1 0 308.397 2.108 10 0 DEAERO CCOCCC1(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000132085953 401862061 /nfs/dbraw/zinc/86/20/61/401862061.db2.gz WXTCGOBHVIKKNV-HNNXBMFYSA-N 1 0 311.470 2.367 10 0 DEAERO CCc1cc(C)c(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)o1 ZINC000132122522 401862770 /nfs/dbraw/zinc/86/27/70/401862770.db2.gz LUJCVMFBGGEXJA-AWEZNQCLSA-N 1 0 321.465 2.154 10 0 DEAERO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116889403 401863747 /nfs/dbraw/zinc/86/37/47/401863747.db2.gz JQVLXQLZDBEURY-HNNXBMFYSA-N 1 0 310.463 2.108 10 0 DEAERO CCCn1cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cn1 ZINC000116918093 401864290 /nfs/dbraw/zinc/86/42/90/401864290.db2.gz XGDOZUNRKDQQMF-INIZCTEOSA-N 1 0 312.417 2.468 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000114926909 401815000 /nfs/dbraw/zinc/81/50/00/401815000.db2.gz RMNXFMYHDRSHPR-KGLIPLIRSA-N 1 0 307.442 2.029 10 0 DEAERO C[C@@H]1CC[C@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)O1 ZINC000130048034 401816266 /nfs/dbraw/zinc/81/62/66/401816266.db2.gz SVOMPFKFBJIDRU-RHSMWYFYSA-N 1 0 302.418 2.466 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1ccc(C(=O)OC(C)C)cc1 ZINC000135140645 401928009 /nfs/dbraw/zinc/92/80/09/401928009.db2.gz QRCZHLFKIXHUKF-KRWDZBQOSA-N 1 0 309.406 2.129 10 0 DEAERO CC(C)(O)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(Cl)s1 ZINC000119183066 401931672 /nfs/dbraw/zinc/93/16/72/401931672.db2.gz KCBNQSHHCNRLSL-NSHDSACASA-N 1 0 316.854 2.253 10 0 DEAERO CC(C)(C)c1ccc(C[NH2+]CCC(=O)N2CCOCC2)s1 ZINC000135298566 401934351 /nfs/dbraw/zinc/93/43/51/401934351.db2.gz JFWPBEMOOVGEED-UHFFFAOYSA-N 1 0 310.463 2.384 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2ccc(OC)cc2)CC[N@@H+]1CCOC ZINC000117398959 401876684 /nfs/dbraw/zinc/87/66/84/401876684.db2.gz KFSGNZVRLFNHCP-OAHLLOKOSA-N 1 0 321.421 2.270 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@@H]1CCn1cnc2cnccc2c1=O ZINC000032576637 401879664 /nfs/dbraw/zinc/87/96/64/401879664.db2.gz VEHXBTSIYWRKHZ-CQSZACIVSA-N 1 0 300.406 2.445 10 0 DEAERO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCC[C@H]2CC)C1 ZINC000043305224 401937614 /nfs/dbraw/zinc/93/76/14/401937614.db2.gz NQUIJXCSGWBOSL-HRCADAONSA-N 1 0 324.465 2.441 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000133306920 401881692 /nfs/dbraw/zinc/88/16/92/401881692.db2.gz LDEVXAUEXCSOHM-CYBMUJFWSA-N 1 0 304.438 2.209 10 0 DEAERO C[C@H](CNC(=O)[C@@H]1CCCc2n[nH]cc21)C[NH+]1CCCCC1 ZINC000133327688 401881969 /nfs/dbraw/zinc/88/19/69/401881969.db2.gz LFWADQCSKYZKLJ-ZIAGYGMSSA-N 1 0 304.438 2.068 10 0 DEAERO CCCNC(=O)c1cccc(C(=O)NC[C@H](C)[NH+](CC)CC)c1 ZINC000133492605 401888724 /nfs/dbraw/zinc/88/87/24/401888724.db2.gz NKQOPQISUVHETC-AWEZNQCLSA-N 1 0 319.449 2.287 10 0 DEAERO O=C(NCCc1cc(F)ccc1F)NC1CC[NH+](C2CC2)CC1 ZINC000083173492 401900425 /nfs/dbraw/zinc/90/04/25/401900425.db2.gz VVYPPRKTCGAYOL-UHFFFAOYSA-N 1 0 323.387 2.433 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)cn1 ZINC000083550238 401901433 /nfs/dbraw/zinc/90/14/33/401901433.db2.gz UORFEHKHFAXYTN-CMPLNLGQSA-N 1 0 324.222 2.153 10 0 DEAERO CN1C[C@H]([NH2+]Cc2cc(F)ccc2Br)CCC1=O ZINC000084087129 401901689 /nfs/dbraw/zinc/90/16/89/401901689.db2.gz FBLXRVSCZBVQHO-LLVKDONJSA-N 1 0 315.186 2.299 10 0 DEAERO CC[C@@](C)(CO)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000084440049 401905300 /nfs/dbraw/zinc/90/53/00/401905300.db2.gz LMNGCOQGIGVVNY-CJNGLKHVSA-N 1 0 300.443 2.384 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(n2ccnc2)CC1 ZINC000118782713 401907661 /nfs/dbraw/zinc/90/76/61/401907661.db2.gz WBIWUCGEKVRKKL-MRXNPFEDSA-N 1 0 304.438 2.310 10 0 DEAERO Cc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c(Cl)c1 ZINC000118789088 401908170 /nfs/dbraw/zinc/90/81/70/401908170.db2.gz LJUCUTIMQIINAM-GFCCVEGCSA-N 1 0 311.813 2.443 10 0 DEAERO C[C@H]([NH2+]CCc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000036954832 401908800 /nfs/dbraw/zinc/90/88/00/401908800.db2.gz ZUSHPDQHRFUBMV-ZDUSSCGKSA-N 1 0 304.415 2.227 10 0 DEAERO CCOc1cc(C)ccc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000118807167 401909086 /nfs/dbraw/zinc/90/90/86/401909086.db2.gz BSCDPPUXYPMNLF-CQSZACIVSA-N 1 0 321.421 2.188 10 0 DEAERO CC[C@@H](CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000037851499 401917656 /nfs/dbraw/zinc/91/76/56/401917656.db2.gz JVYIVKWWZCFBIN-VHSXEESVSA-N 1 0 308.205 2.094 10 0 DEAERO CC1(C)CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085822777 401919002 /nfs/dbraw/zinc/91/90/02/401919002.db2.gz NMWUJHHVQBWOKZ-CQSZACIVSA-N 1 0 302.484 2.170 10 0 DEAERO COCCOc1ccc([C@@H](C)[NH2+]CCc2nc(C)no2)cc1 ZINC000089518194 401950599 /nfs/dbraw/zinc/95/05/99/401950599.db2.gz JYSRXXIWYZSAJC-GFCCVEGCSA-N 1 0 305.378 2.297 10 0 DEAERO CC(C)c1ccccc1OCC[NH2+]C1CCN(C(N)=O)CC1 ZINC000089597381 401953788 /nfs/dbraw/zinc/95/37/88/401953788.db2.gz LDEUQBXDVKPPHJ-UHFFFAOYSA-N 1 0 305.422 2.322 10 0 DEAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000089635426 401955006 /nfs/dbraw/zinc/95/50/06/401955006.db2.gz SREZUHDBXCRVRV-QWRGUYRKSA-N 1 0 303.399 2.308 10 0 DEAERO CCO[C@@H](C)c1noc(CN2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000120670531 401997488 /nfs/dbraw/zinc/99/74/88/401997488.db2.gz HUSWUPQABQIXQR-AWEZNQCLSA-N 1 0 322.453 2.475 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cncc(F)c1 ZINC000089732201 401959265 /nfs/dbraw/zinc/95/92/65/401959265.db2.gz UWCHAPMSUQTHGJ-IUODEOHRSA-N 1 0 301.369 2.330 10 0 DEAERO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000119582962 401960090 /nfs/dbraw/zinc/96/00/90/401960090.db2.gz SYEOECOUXNYZNN-VXGBXAGGSA-N 1 0 312.385 2.026 10 0 DEAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC)CCc2nccs2)C1 ZINC000119799751 401966924 /nfs/dbraw/zinc/96/69/24/401966924.db2.gz AHRANEQVWJIXIP-AWEZNQCLSA-N 1 0 324.494 2.449 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000119942159 401972123 /nfs/dbraw/zinc/97/21/23/401972123.db2.gz IVOWSKUKSAEREW-LBPRGKRZSA-N 1 0 316.323 2.290 10 0 DEAERO O=C(C[N@H+]1CCC[C@H](CO)C1)N1CCC[C@@H]1c1cccs1 ZINC000048322770 401998449 /nfs/dbraw/zinc/99/84/49/401998449.db2.gz RHVWJXPWCGUBDO-UONOGXRCSA-N 1 0 308.447 2.116 10 0 DEAERO CCC[C@H](C(=O)N1CCCN(c2ccccc2)CC1)[NH+](C)C ZINC000137270612 401981865 /nfs/dbraw/zinc/98/18/65/401981865.db2.gz WYBMWEGUZRXTQC-QGZVFWFLSA-N 1 0 303.450 2.456 10 0 DEAERO COc1ccc(C[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000120634422 401996365 /nfs/dbraw/zinc/99/63/65/401996365.db2.gz AKXASLICZJIUSN-ZBFHGGJFSA-N 1 0 319.449 2.267 10 0 DEAERO CCC(C)(CC)NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000121036098 402011708 /nfs/dbraw/zinc/01/17/08/402011708.db2.gz YAUOYYZZASAFLR-OAHLLOKOSA-N 1 0 312.502 2.136 10 0 DEAERO CC[C@H]1CN(C(=O)c2ccc(F)cc2C)CCN1CCOC ZINC000151167522 402020807 /nfs/dbraw/zinc/02/08/07/402020807.db2.gz QMWMZVAYJSTJQG-HNNXBMFYSA-N 1 0 308.397 2.317 10 0 DEAERO CCOc1nc2ccccc2nc1N(C)CC1CC[NH2+]CC1 ZINC000095069678 402023966 /nfs/dbraw/zinc/02/39/66/402023966.db2.gz NYFNJQHDRWZSIN-UHFFFAOYSA-N 1 0 300.406 2.464 10 0 DEAERO [NH3+]CCN1CCC2(C1)CCN(C(=O)OCc1ccccc1)CC2 ZINC000095077570 402024029 /nfs/dbraw/zinc/02/40/29/402024029.db2.gz DVCIWEJWRQQKHG-UHFFFAOYSA-N 1 0 317.433 2.070 10 0 DEAERO O=C(OCc1ccccc1)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC000095078899 402024704 /nfs/dbraw/zinc/02/47/04/402024704.db2.gz ONCKURCHJTVXRN-UHFFFAOYSA-N 1 0 318.417 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CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c2c1CCCCC2 ZINC000248909903 402613990 /nfs/dbraw/zinc/61/39/90/402613990.db2.gz MRHCOFMXFHWCSV-KBPBESRZSA-N 1 0 316.449 2.377 10 0 DEAERO COc1cccc([C@H]2[C@H]([NH2+]Cc3ncc[nH]3)CCN2C2CC2)c1 ZINC000180377356 402614147 /nfs/dbraw/zinc/61/41/47/402614147.db2.gz LGJUKEIZNVRCMJ-AEFFLSMTSA-N 1 0 312.417 2.486 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(-c3ncon3)cc2)C1 ZINC000171738544 402616975 /nfs/dbraw/zinc/61/69/75/402616975.db2.gz WCOAXHHCEXXLHE-LBPRGKRZSA-N 1 0 315.377 2.200 10 0 DEAERO C[C@@H]1CSCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249020702 402617742 /nfs/dbraw/zinc/61/77/42/402617742.db2.gz KSYOQGNPICJQFY-NWDGAFQWSA-N 1 0 324.412 2.472 10 0 DEAERO CC(C)n1ccnc1CN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000171749987 402617762 /nfs/dbraw/zinc/61/77/62/402617762.db2.gz DCVCSUXPBZOPQC-HNNXBMFYSA-N 1 0 306.454 2.149 10 0 DEAERO O[C@@H](COc1ccccc1)CN1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000171746615 402617814 /nfs/dbraw/zinc/61/78/14/402617814.db2.gz ZECVXOXLXKYGIE-QZTJIDSGSA-N 1 0 316.445 2.153 10 0 DEAERO Cc1cnc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)s1 ZINC000180485514 402617990 /nfs/dbraw/zinc/61/79/90/402617990.db2.gz JHDFUTVIFIEBCS-HNNXBMFYSA-N 1 0 308.495 2.053 10 0 DEAERO CCNC(=O)CC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000249397992 402628416 /nfs/dbraw/zinc/62/84/16/402628416.db2.gz BMIFDURBCUCIFD-KKUMJFAQSA-N 1 0 324.465 2.487 10 0 DEAERO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCc3ncnn3C1)CCC2 ZINC000180608084 402621494 /nfs/dbraw/zinc/62/14/94/402621494.db2.gz MLNNSEOPBJTGBV-WDEREUQCSA-N 1 0 303.435 2.279 10 0 DEAERO COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000249149507 402622289 /nfs/dbraw/zinc/62/22/89/402622289.db2.gz XKQKXPROJPTSAY-IAGOWNOFSA-N 1 0 309.450 2.352 10 0 DEAERO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](Cc2ccnn2C)C1 ZINC000180719851 402624526 /nfs/dbraw/zinc/62/45/26/402624526.db2.gz TYRXHTMOUCGKOM-HOTGVXAUSA-N 1 0 313.401 2.199 10 0 DEAERO Cc1ccc(OCCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171906301 402632315 /nfs/dbraw/zinc/63/23/15/402632315.db2.gz WHPMQQMHMJPPIU-INIZCTEOSA-N 1 0 317.433 2.254 10 0 DEAERO O=C(NCCCOC1CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171899180 402632619 /nfs/dbraw/zinc/63/26/19/402632619.db2.gz MMNIZXIXXBZKRR-HNNXBMFYSA-N 1 0 309.454 2.215 10 0 DEAERO C[C@H](NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CCCO1 ZINC000249519425 402632668 /nfs/dbraw/zinc/63/26/68/402632668.db2.gz KJGYDGPDAMBXLG-NUEKZKHPSA-N 1 0 311.470 2.364 10 0 DEAERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc(=O)[nH]1 ZINC000180888746 402629378 /nfs/dbraw/zinc/62/93/78/402629378.db2.gz IYWQTAGYMLRPBH-DOTOQJQBSA-N 1 0 311.385 2.271 10 0 DEAERO CCCc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000181130220 402635829 /nfs/dbraw/zinc/63/58/29/402635829.db2.gz HJJZBGUHEJJMJM-INIZCTEOSA-N 1 0 305.422 2.433 10 0 DEAERO C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)C1 ZINC000249605715 402636587 /nfs/dbraw/zinc/63/65/87/402636587.db2.gz ZPPOODQDUMXCLR-KBMXLJTQSA-N 1 0 322.474 2.014 10 0 DEAERO CC1(CNC(=O)C[C@@H]2CCOc3ccccc32)CC[NH2+]CC1 ZINC000181274022 402639765 /nfs/dbraw/zinc/63/97/65/402639765.db2.gz SBQUEIXGAZRDLS-AWEZNQCLSA-N 1 0 302.418 2.449 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H](c2ccccc2)C2CC2)CCO1 ZINC000172118661 402641363 /nfs/dbraw/zinc/64/13/63/402641363.db2.gz FHMAXBSIQQNWRW-IAGOWNOFSA-N 1 0 317.433 2.110 10 0 DEAERO Cc1cccc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000249789604 402641999 /nfs/dbraw/zinc/64/19/99/402641999.db2.gz UAAFGNAMTJBWKE-UKRRQHHQSA-N 1 0 304.438 2.310 10 0 DEAERO CCOC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000181418369 402644724 /nfs/dbraw/zinc/64/47/24/402644724.db2.gz IDSRXWMBYKTSTK-NSHDSACASA-N 1 0 312.797 2.012 10 0 DEAERO Cc1c([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cnn1C(C)C ZINC000191202236 402650487 /nfs/dbraw/zinc/65/04/87/402650487.db2.gz XSXYBMKIKFYRBA-GOEBONIOSA-N 1 0 308.470 2.270 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000191251448 402654791 /nfs/dbraw/zinc/65/47/91/402654791.db2.gz OOSSHFQJVIFLJJ-HUUCEWRRSA-N 1 0 316.445 2.411 10 0 DEAERO CNC(=O)c1ccc(C[N@H+](C)C[C@@H](O)C2CCCCC2)cc1 ZINC000191267668 402655453 /nfs/dbraw/zinc/65/54/53/402655453.db2.gz KOCBUTVBTXIFBV-QGZVFWFLSA-N 1 0 304.434 2.419 10 0 DEAERO Cc1nc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)sc1C ZINC000173645868 402705861 /nfs/dbraw/zinc/70/58/61/402705861.db2.gz PZMZUNUKPVCJBH-ZDUSSCGKSA-N 1 0 308.451 2.140 10 0 DEAERO CCC[C@H](C(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O)[NH+](C)C ZINC000192049168 402707830 /nfs/dbraw/zinc/70/78/30/402707830.db2.gz CVPCLDBAIPKEDZ-SZVBFZGTSA-N 1 0 320.477 2.463 10 0 DEAERO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000182677449 402708104 /nfs/dbraw/zinc/70/81/04/402708104.db2.gz UPDPIUOCTNXYBZ-RDJZCZTQSA-N 1 0 324.490 2.064 10 0 DEAERO C[N@H+](Cc1ccc(CO)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000182749283 402713397 /nfs/dbraw/zinc/71/33/97/402713397.db2.gz CLCWQDITJRSXDZ-QGZVFWFLSA-N 1 0 312.417 2.070 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NCC[C@H]1CCCCO1 ZINC000182807388 402718090 /nfs/dbraw/zinc/71/80/90/402718090.db2.gz QLUAGNQHRRCPMC-OAHLLOKOSA-N 1 0 320.433 2.316 10 0 DEAERO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000172524977 402660673 /nfs/dbraw/zinc/66/06/73/402660673.db2.gz MRJNNESRTYDGDC-QGZVFWFLSA-N 1 0 316.445 2.374 10 0 DEAERO OCC[C@@]1(C[NH2+]Cc2ccc(OCC3CC3)cc2)CCOC1 ZINC000191333322 402661413 /nfs/dbraw/zinc/66/14/13/402661413.db2.gz MPPRZQWNLOBOKG-SFHVURJKSA-N 1 0 305.418 2.354 10 0 DEAERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2cnccn2)CC1 ZINC000192241110 402718822 /nfs/dbraw/zinc/71/88/22/402718822.db2.gz JNVVNUSOAKGGIM-UHFFFAOYSA-N 1 0 320.437 2.109 10 0 DEAERO Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)[C@@H]1CCOC1 ZINC000253416909 402664775 /nfs/dbraw/zinc/66/47/75/402664775.db2.gz OJJAVWHXEYLDHK-MJBXVCDLSA-N 1 0 313.442 2.085 10 0 DEAERO CC[C@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1nccs1 ZINC000172615670 402666324 /nfs/dbraw/zinc/66/63/24/402666324.db2.gz STAYAHRCTXJPML-ZDUSSCGKSA-N 1 0 308.451 2.474 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2snnc2C(C)(C)C)C1 ZINC000191457478 402671404 /nfs/dbraw/zinc/67/14/04/402671404.db2.gz WVGFVPGZCLYSLB-NWDGAFQWSA-N 1 0 322.478 2.392 10 0 DEAERO Cc1[nH]c2ccccc2c1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172748230 402673038 /nfs/dbraw/zinc/67/30/38/402673038.db2.gz AAIUQUHQNXZWNR-CQSZACIVSA-N 1 0 313.401 2.023 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@](C)(O)C2CCCCC2)C1 ZINC000191493520 402673711 /nfs/dbraw/zinc/67/37/11/402673711.db2.gz CNMMMZQTSSCFHH-RDJZCZTQSA-N 1 0 311.470 2.101 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3ncnn3C1)CCS2 ZINC000191529717 402676582 /nfs/dbraw/zinc/67/65/82/402676582.db2.gz SXZXYVGGKAQBBR-BXUZGUMPSA-N 1 0 316.430 2.428 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1cnc2ccccc2n1 ZINC000255071152 402677528 /nfs/dbraw/zinc/67/75/28/402677528.db2.gz IKZIEUVMXJGVCO-LRPNZCEASA-N 1 0 322.412 2.338 10 0 DEAERO O[C@H](CSC[C@@H]1CCCO1)C[N@@H+]1CCc2ccccc2C1 ZINC000191610502 402681283 /nfs/dbraw/zinc/68/12/83/402681283.db2.gz JVMBSFIJODCBAX-IRXDYDNUSA-N 1 0 307.459 2.318 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cccc(F)c1C ZINC000173025569 402683009 /nfs/dbraw/zinc/68/30/09/402683009.db2.gz CFVTWSIDXRECLZ-NSHDSACASA-N 1 0 302.415 2.143 10 0 DEAERO C[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000182452139 402691387 /nfs/dbraw/zinc/69/13/87/402691387.db2.gz SJRZFAHGKKFUSL-MJGOQNOKSA-N 1 0 318.461 2.246 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000173380343 402695058 /nfs/dbraw/zinc/69/50/58/402695058.db2.gz YHMIJXXQSIPDPN-GOEBONIOSA-N 1 0 322.449 2.465 10 0 DEAERO CC(C)OCC[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191978007 402702242 /nfs/dbraw/zinc/70/22/42/402702242.db2.gz SYELRHCQHCMIKZ-UHFFFAOYSA-N 1 0 314.470 2.149 10 0 DEAERO Cc1ccc([C@H]2OCCC[C@@H]2C(=O)NC2CC[NH2+]CC2)cc1 ZINC000262522267 402726479 /nfs/dbraw/zinc/72/64/79/402726479.db2.gz XWFVVBLLRAMXET-DLBZAZTESA-N 1 0 302.418 2.331 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NC2CC[NH2+]CC2)cc1 ZINC000262522273 402726837 /nfs/dbraw/zinc/72/68/37/402726837.db2.gz XWFVVBLLRAMXET-IRXDYDNUSA-N 1 0 302.418 2.331 10 0 DEAERO CCc1cnc(CCNC(=O)NC[C@H](C)C[NH+]2CCCC2)s1 ZINC000174111601 402726988 /nfs/dbraw/zinc/72/69/88/402726988.db2.gz AIYPNBVTSWCYGL-ZDUSSCGKSA-N 1 0 324.494 2.279 10 0 DEAERO Cc1ccc(CCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000174187679 402731294 /nfs/dbraw/zinc/73/12/94/402731294.db2.gz FIJPNGSQBDMBHE-GOSISDBHSA-N 1 0 316.445 2.108 10 0 DEAERO C[C@H](OC[C@@H]1CCCCO1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174221204 402732239 /nfs/dbraw/zinc/73/22/39/402732239.db2.gz QIVKQRQQJOKGCR-MKXAEBJUSA-N 1 0 324.465 2.092 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000192536621 402736084 /nfs/dbraw/zinc/73/60/84/402736084.db2.gz CGJOERJNABEUKW-QGZVFWFLSA-N 1 0 300.406 2.029 10 0 DEAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000183130702 402741969 /nfs/dbraw/zinc/74/19/69/402741969.db2.gz KOJPKRXCPWIRBQ-KRWDZBQOSA-N 1 0 302.418 2.149 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnn(CC2CC2)c1 ZINC000174481767 402743463 /nfs/dbraw/zinc/74/34/63/402743463.db2.gz RGAGMKCZLVQONL-ZDUSSCGKSA-N 1 0 305.426 2.289 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)[C@H]1CCCO1 ZINC000183174783 402744625 /nfs/dbraw/zinc/74/46/25/402744625.db2.gz IUTBZZXTCBNGIT-RHSMWYFYSA-N 1 0 302.418 2.335 10 0 DEAERO C[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000183206560 402746869 /nfs/dbraw/zinc/74/68/69/402746869.db2.gz IPJDTQXVOAZBGR-CYBMUJFWSA-N 1 0 305.422 2.331 10 0 DEAERO CCOCCNC(=O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000183224844 402748552 /nfs/dbraw/zinc/74/85/52/402748552.db2.gz MIAMHPHEQSWHGH-QGZVFWFLSA-N 1 0 304.434 2.442 10 0 DEAERO CCCC[C@H](CC)CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192803984 402750855 /nfs/dbraw/zinc/75/08/55/402750855.db2.gz ZFLUPXFLMJVLKC-JKSUJKDBSA-N 1 0 313.486 2.349 10 0 DEAERO Cc1cccc(O[C@H](C)c2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263263013 402751475 /nfs/dbraw/zinc/75/14/75/402751475.db2.gz RECJTIYTFDRTFW-TZMCWYRMSA-N 1 0 302.378 2.094 10 0 DEAERO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccnn2C)C1 ZINC000192952921 402758191 /nfs/dbraw/zinc/75/81/91/402758191.db2.gz BVWNHYRVIXVGBL-KGLIPLIRSA-N 1 0 300.406 2.358 10 0 DEAERO CC(=O)CCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000192984318 402759359 /nfs/dbraw/zinc/75/93/59/402759359.db2.gz XCLSYWAGVMHQOD-GOEBONIOSA-N 1 0 310.344 2.195 10 0 DEAERO CN1CC[NH+]([C@H]2CCCCN(Cc3ccc(Cl)nc3)C2)CC1 ZINC000174881321 402761106 /nfs/dbraw/zinc/76/11/06/402761106.db2.gz URDRUQKFIGJNTK-INIZCTEOSA-N 1 0 322.884 2.337 10 0 DEAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000193241381 402768627 /nfs/dbraw/zinc/76/86/27/402768627.db2.gz XBUVLGQNZJJECO-SUMWQHHRSA-N 1 0 308.422 2.473 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](OC)c1ccccc1 ZINC000175006544 402770893 /nfs/dbraw/zinc/77/08/93/402770893.db2.gz INHFOXZVISUGAM-BRWVUGGUSA-N 1 0 302.418 2.459 10 0 DEAERO CCc1ccc([C@H](CN2CCOCC2)[NH2+][C@H]2CCCOC2)cc1 ZINC000183563525 402776133 /nfs/dbraw/zinc/77/61/33/402776133.db2.gz XNIFQARHTAVSFC-OALUTQOASA-N 1 0 318.461 2.391 10 0 DEAERO Cc1ccc(C)c([C@@H]2CN(C(=O)[C@H](C)C3C[NH2+]C3)[C@H](C)CO2)c1 ZINC000262327059 402724394 /nfs/dbraw/zinc/72/43/94/402724394.db2.gz DHYYIJDGSLXLEZ-RKVPGOIHSA-N 1 0 316.445 2.447 10 0 DEAERO CC[C@H](C)[C@H](C)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183705220 402790148 /nfs/dbraw/zinc/79/01/48/402790148.db2.gz BJFQBIUYOZFVOL-ULQDDVLXSA-N 1 0 309.498 2.297 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000194317038 402791934 /nfs/dbraw/zinc/79/19/34/402791934.db2.gz FRSGGGXYEDYCPS-ZDUSSCGKSA-N 1 0 307.394 2.310 10 0 DEAERO CC(C)C(=O)Nc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195330009 402842135 /nfs/dbraw/zinc/84/21/35/402842135.db2.gz LAYIJAFGQPOBLE-MRXNPFEDSA-N 1 0 315.417 2.201 10 0 DEAERO CCc1c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cnn1-c1ccccc1 ZINC000195329240 402842343 /nfs/dbraw/zinc/84/23/43/402842343.db2.gz MZIVLCFKQYMOLO-INIZCTEOSA-N 1 0 324.428 2.355 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N1CCCc2ccccc21 ZINC000175344854 402799061 /nfs/dbraw/zinc/79/90/61/402799061.db2.gz NVAFQWFZOCUBOW-QGZVFWFLSA-N 1 0 315.461 2.382 10 0 DEAERO O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183811399 402799803 /nfs/dbraw/zinc/79/98/03/402799803.db2.gz QXMPTOBGJORKTR-IEBWSBKVSA-N 1 0 309.413 2.252 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1C ZINC000175392376 402802602 /nfs/dbraw/zinc/80/26/02/402802602.db2.gz AVNUJCWOFMGCNV-AWEZNQCLSA-N 1 0 314.426 2.239 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000175393300 402802654 /nfs/dbraw/zinc/80/26/54/402802654.db2.gz NKOFYECZOBSOGY-ZDUSSCGKSA-N 1 0 314.426 2.239 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C)ccc1F ZINC000175395739 402803231 /nfs/dbraw/zinc/80/32/31/402803231.db2.gz KYKQRPYPUDMGDS-CYBMUJFWSA-N 1 0 314.426 2.239 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)ccc1O ZINC000175437918 402806602 /nfs/dbraw/zinc/80/66/02/402806602.db2.gz NHXXVFHUINHQPS-CHWSQXEVSA-N 1 0 304.390 2.100 10 0 DEAERO CC(C)c1noc2ncc(C(=O)N3CC[NH2+]C(C)(C)C3)cc21 ZINC000175440184 402807248 /nfs/dbraw/zinc/80/72/48/402807248.db2.gz LGOHCFNRZAGBDX-UHFFFAOYSA-N 1 0 302.378 2.170 10 0 DEAERO O=C(CCCOc1ccc(F)cc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195338886 402842966 /nfs/dbraw/zinc/84/29/66/402842966.db2.gz GXGXTKHWUBXQOU-CQSZACIVSA-N 1 0 324.371 2.430 10 0 DEAERO C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000194714039 402812016 /nfs/dbraw/zinc/81/20/16/402812016.db2.gz IGHGNFOOLRKAKP-CYBMUJFWSA-N 1 0 302.353 2.040 10 0 DEAERO CCN1CC[NH+](CCCCNC(=O)N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000175531892 402815190 /nfs/dbraw/zinc/81/51/90/402815190.db2.gz QUPZZQKSDXSOIF-IRXDYDNUSA-N 1 0 324.513 2.234 10 0 DEAERO CCN1CC[NH+](CCCCNC(=O)N2C[C@@H](C)CC[C@H]2C)CC1 ZINC000175531931 402815360 /nfs/dbraw/zinc/81/53/60/402815360.db2.gz QUPZZQKSDXSOIF-DLBZAZTESA-N 1 0 324.513 2.234 10 0 DEAERO COc1cccc(CCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000195075971 402830531 /nfs/dbraw/zinc/83/05/31/402830531.db2.gz KDOJUYPVHQOZRP-INIZCTEOSA-N 1 0 302.418 2.325 10 0 DEAERO O=C(/C=C/c1cnc2ccccc2n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195096911 402831772 /nfs/dbraw/zinc/83/17/72/402831772.db2.gz YOBKWMJESSMUPP-ROJDOSBLSA-N 1 0 322.412 2.340 10 0 DEAERO CCn1cc(C2CC[NH+]([C@@H]3CCN(C(C)C)C3=O)CC2)cn1 ZINC000175147862 402783446 /nfs/dbraw/zinc/78/34/46/402783446.db2.gz WCEAXTQZHNRWJM-MRXNPFEDSA-N 1 0 304.438 2.092 10 0 DEAERO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505760 402848436 /nfs/dbraw/zinc/84/84/36/402848436.db2.gz PRGSJUVWYVGTQT-KBPBESRZSA-N 1 0 304.438 2.379 10 0 DEAERO CN(C(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000195515734 402848939 /nfs/dbraw/zinc/84/89/39/402848939.db2.gz AATDFHCEKJECIQ-INIZCTEOSA-N 1 0 324.428 2.478 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176032812 402849170 /nfs/dbraw/zinc/84/91/70/402849170.db2.gz CRDHBNQHPVJVIJ-INIZCTEOSA-N 1 0 309.454 2.214 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000176047617 402850075 /nfs/dbraw/zinc/85/00/75/402850075.db2.gz HUIUCNKNTZUNRI-DZGCQCFKSA-N 1 0 303.406 2.246 10 0 DEAERO Cc1ccc2ncnc(NC[C@H](C)C[NH+]3CCOCC3)c2c1 ZINC000265624455 402934735 /nfs/dbraw/zinc/93/47/35/402934735.db2.gz YOWGQALVBMZXNV-AWEZNQCLSA-N 1 0 300.406 2.318 10 0 DEAERO CN1CCO[C@@H](CNc2nnc(Cc3ccc(F)cc3)s2)C1 ZINC000273165350 402978845 /nfs/dbraw/zinc/97/88/45/402978845.db2.gz CRFFQAGSBIJUIC-ZDUSSCGKSA-N 1 0 322.409 2.011 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2c2ccc[nH]2)C[N@@H+]1C1CC1 ZINC000267912128 403040827 /nfs/dbraw/zinc/04/08/27/403040827.db2.gz ZYAXVKZIHLWZSC-WWGRRREGSA-N 1 0 302.422 2.486 10 0 DEAERO Cn1cc(-c2cc(CN3CC[C@@H]([NH+]4CCCCC4)C3)on2)cn1 ZINC000274418937 403053743 /nfs/dbraw/zinc/05/37/43/403053743.db2.gz NTWQCHPYFJXYED-OAHLLOKOSA-N 1 0 315.421 2.135 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1occc1Br ZINC000268155128 403055254 /nfs/dbraw/zinc/05/52/54/403055254.db2.gz PJOMZOPMUYRMTJ-SECBINFHSA-N 1 0 301.184 2.208 10 0 DEAERO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cccc3cc[nH]c32)cn1 ZINC000275660057 403113191 /nfs/dbraw/zinc/11/31/91/403113191.db2.gz UZGQEQJUDHVQFW-QAPCUYQASA-N 1 0 323.400 2.011 10 0 DEAERO Cn1cncc1[C@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)CCO1 ZINC000275715358 403118087 /nfs/dbraw/zinc/11/80/87/403118087.db2.gz YQLBOJRWIOCOCZ-WMLDXEAASA-N 1 0 311.389 2.078 10 0 DEAERO OCc1cn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccccc2F)nn1 ZINC000276345464 403165839 /nfs/dbraw/zinc/16/58/39/403165839.db2.gz UZEHYNKVKLEEHT-DLBZAZTESA-N 1 0 318.396 2.226 10 0 DEAERO C[N@@H+]1CC[C@]2(CCN(C(=O)c3coc(Br)c3)C2)C1 ZINC000292261619 403337331 /nfs/dbraw/zinc/33/73/31/403337331.db2.gz POPCDDBSKMGQQV-ZDUSSCGKSA-N 1 0 313.195 2.210 10 0 DEAERO Cc1nocc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000293229474 403420907 /nfs/dbraw/zinc/42/09/07/403420907.db2.gz KNRBBBLRAPFNIP-GOSISDBHSA-N 1 0 315.417 2.364 10 0 DEAERO Cc1cc(C[N@@H+]2CC[C@H](O)C23CCCC3)ccc1-n1cncn1 ZINC000293874427 403587038 /nfs/dbraw/zinc/58/70/38/403587038.db2.gz JEUSIGFLWDCEFE-KRWDZBQOSA-N 1 0 312.417 2.455 10 0 DEAERO NC(=O)C1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000566950488 292278756 /nfs/dbraw/zinc/27/87/56/292278756.db2.gz OHYKNCGZHHZTGJ-UHFFFAOYSA-N 1 0 302.418 2.368 10 0 DEAERO CCn1ccnc1[C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333074385 403660610 /nfs/dbraw/zinc/66/06/10/403660610.db2.gz HDTVEUUXNXTVJP-FFHGMXDLSA-N 1 0 319.453 2.279 10 0 DEAERO C[C@H](NC(=O)Nc1cccc2c1OCCC2=O)[C@@H]1CCC[NH2+]C1 ZINC000333185678 403687978 /nfs/dbraw/zinc/68/79/78/403687978.db2.gz SWYZEYGQQJVBQP-NWDGAFQWSA-N 1 0 317.389 2.161 10 0 DEAERO C[NH2+]C[C@@H]1CCCN(C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000333206708 403694878 /nfs/dbraw/zinc/69/48/78/403694878.db2.gz YZIAGQLIHKZDAX-ZDUSSCGKSA-N 1 0 302.422 2.424 10 0 DEAERO CC1(C)Cc2ccc(C(=O)N3CC[NH+]4CCC3CC4)c(O)c2O1 ZINC000333017270 403648986 /nfs/dbraw/zinc/64/89/86/403648986.db2.gz CLJWDYOJPKKDJN-UHFFFAOYSA-N 1 0 316.401 2.026 10 0 DEAERO [NH3+][C@H]1CCc2ncc(NC(=O)N3Cc4ccccc4CO3)cc2C1 ZINC000333289371 403717561 /nfs/dbraw/zinc/71/75/61/403717561.db2.gz JAYGDRZERFJMBF-HNNXBMFYSA-N 1 0 324.384 2.377 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)C12CCCC2 ZINC000333316099 403723119 /nfs/dbraw/zinc/72/31/19/403723119.db2.gz SUZBKZGXKGLUMC-LSDHHAIUSA-N 1 0 321.465 2.262 10 0 DEAERO CC(C)Cc1nsc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000333708384 403826222 /nfs/dbraw/zinc/82/62/22/403826222.db2.gz RXEWDZVYICCRRO-DZGCQCFKSA-N 1 0 324.494 2.459 10 0 DEAERO COc1coc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1=O ZINC000361729985 403828252 /nfs/dbraw/zinc/82/82/52/403828252.db2.gz WKVUQTBXHDWZEK-GFCCVEGCSA-N 1 0 303.358 2.417 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000333566033 403782116 /nfs/dbraw/zinc/78/21/16/403782116.db2.gz 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10 0 DEAERO CN(C(=O)c1ccoc1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000310819463 403968383 /nfs/dbraw/zinc/96/83/83/403968383.db2.gz HXZBHCQJBNKXFS-NSHDSACASA-N 1 0 313.195 2.208 10 0 DEAERO Nc1cccnc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323613927 404092060 /nfs/dbraw/zinc/09/20/60/404092060.db2.gz LQAMECYFIFILKN-UHFFFAOYSA-N 1 0 310.401 2.012 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000323741773 404095152 /nfs/dbraw/zinc/09/51/52/404095152.db2.gz YAWHNBPLNSYYRU-RLFYNMQTSA-N 1 0 316.401 2.360 10 0 DEAERO c1cn(CCC[NH2+]Cc2ccccc2OCc2ccncc2)nn1 ZINC000344295658 404037545 /nfs/dbraw/zinc/03/75/45/404037545.db2.gz LXKWXUYZEBHNJN-UHFFFAOYSA-N 1 0 323.400 2.432 10 0 DEAERO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1nnc2n1CCCCC2 ZINC000319683737 404057195 /nfs/dbraw/zinc/05/71/95/404057195.db2.gz JWSZKRQLAHKRSD-ZDUSSCGKSA-N 1 0 320.437 2.341 10 0 DEAERO CC(=O)c1cccc(NC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000320528636 404067212 /nfs/dbraw/zinc/06/72/12/404067212.db2.gz HUXMKQKIHVHOGU-INIZCTEOSA-N 1 0 301.390 2.447 10 0 DEAERO CC(C)n1cc([C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2CO)cn1 ZINC000329045194 404212122 /nfs/dbraw/zinc/21/21/22/404212122.db2.gz POYZOARNHKTUCM-BZSNNMDCSA-N 1 0 321.465 2.431 10 0 DEAERO CN1CCC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1=O ZINC000344605530 404257635 /nfs/dbraw/zinc/25/76/35/404257635.db2.gz CSWFKMLFSCVAKR-LBPRGKRZSA-N 1 0 315.186 2.299 10 0 DEAERO C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000329191131 404259349 /nfs/dbraw/zinc/25/93/49/404259349.db2.gz QISVAFBUDNLGJY-CABCVRRESA-N 1 0 302.422 2.046 10 0 DEAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000290861665 404341880 /nfs/dbraw/zinc/34/18/80/404341880.db2.gz BRFFPYSAFVCYGH-VNQPRFMTSA-N 1 0 305.422 2.004 10 0 DEAERO COCCn1cc2c(n1)[C@@H](Nc1ncnc(N)c1Cl)CCC2 ZINC000365459174 404665130 /nfs/dbraw/zinc/66/51/30/404665130.db2.gz GDHVJLQJXUJMCM-JTQLQIEISA-N 1 0 322.800 2.045 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c2ccccc2C1 ZINC000352847750 404661266 /nfs/dbraw/zinc/66/12/66/404661266.db2.gz GGTUOBVTPBOJKF-SRMJIJMDSA-N 1 0 322.474 2.227 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1CCC(=O)c1ccc2c(c1)OCCO2 ZINC000365343869 404626316 /nfs/dbraw/zinc/62/63/16/404626316.db2.gz MTBAVHIFBKLEPM-CYBMUJFWSA-N 1 0 305.374 2.141 10 0 DEAERO COC(=O)[C@H]1CC[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000373903185 404634563 /nfs/dbraw/zinc/63/45/63/404634563.db2.gz KDMVTJIFZYHAGV-NGEFAJANSA-N 1 0 322.449 2.097 10 0 DEAERO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000365497279 404676776 /nfs/dbraw/zinc/67/67/76/404676776.db2.gz XCZHWCKTKRSQIE-BBWFWOEESA-N 1 0 316.445 2.334 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C/C=C\c2cccc(F)c2)[C@H](C)C1 ZINC000356891771 404718421 /nfs/dbraw/zinc/71/84/21/404718421.db2.gz FEBFOFKLJRSEEX-VASHYATMSA-N 1 0 320.408 2.143 10 0 DEAERO Cc1c2ccccc2oc1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000360869344 404841383 /nfs/dbraw/zinc/84/13/83/404841383.db2.gz CZKKTXFVCURLDV-UHFFFAOYSA-N 1 0 324.384 2.469 10 0 DEAERO c1cn(-c2ccccc2)nc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000367365676 405025947 /nfs/dbraw/zinc/02/59/47/405025947.db2.gz QOHHAWVUGWNDFX-MAUKXSAKSA-N 1 0 313.401 2.300 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCOCC[C@@H]2C)C1 ZINC000378466650 404974295 /nfs/dbraw/zinc/97/42/95/404974295.db2.gz LLVMXWLFXXEDFG-JKSUJKDBSA-N 1 0 311.470 2.175 10 0 DEAERO CCn1cc(Br)cc1C(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000389976078 405043425 /nfs/dbraw/zinc/04/34/25/405043425.db2.gz IZSAHGPBNLFJEA-NSHDSACASA-N 1 0 314.227 2.095 10 0 DEAERO c1c(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)onc1-c1ccccc1 ZINC000404987131 405069464 /nfs/dbraw/zinc/06/94/64/405069464.db2.gz IQWYTFWPPJUSLC-CQSZACIVSA-N 1 0 309.373 2.448 10 0 DEAERO CCC[N@@H+]1CC[C@H](NC(=O)c2nscc2Br)C1 ZINC000404868438 405069721 /nfs/dbraw/zinc/06/97/21/405069721.db2.gz XCYJIMOXIKEKNU-QMMMGPOBSA-N 1 0 318.240 2.120 10 0 DEAERO COc1ccc(Br)cc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367573463 405088427 /nfs/dbraw/zinc/08/84/27/405088427.db2.gz HTXPKNMRLCAMJZ-XYYAHUGASA-N 1 0 312.207 2.440 10 0 DEAERO C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@@H]1O ZINC000408094531 405110098 /nfs/dbraw/zinc/11/00/98/405110098.db2.gz ZLFZEQABTKAVDA-CABCVRRESA-N 1 0 311.470 2.053 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000408096404 405111518 /nfs/dbraw/zinc/11/15/18/405111518.db2.gz BCFRTACZSNBVJN-CQSZACIVSA-N 1 0 312.435 2.227 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@](C)(O)CC2)CC1 ZINC000408287787 405162979 /nfs/dbraw/zinc/16/29/79/405162979.db2.gz TYWQWNFDYKJJOQ-DQPZFDDXSA-N 1 0 311.470 2.053 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000408351559 405183526 /nfs/dbraw/zinc/18/35/26/405183526.db2.gz GFIPEQFUQJDQDM-JKIFEVAISA-N 1 0 318.417 2.165 10 0 DEAERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)[C@](C)(O)C(C)C)C1)CCCC2 ZINC000408387052 405193469 /nfs/dbraw/zinc/19/34/69/405193469.db2.gz VYCZOLKXXLFCNC-KBXCAEBGSA-N 1 0 319.449 2.251 10 0 DEAERO Cc1ccncc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000408456527 405211068 /nfs/dbraw/zinc/21/10/68/405211068.db2.gz JFWLVPADMKOLAE-HNNXBMFYSA-N 1 0 323.462 2.029 10 0 DEAERO c1c[nH]c([C@@H]2CCC[N@H+]2CCc2nnnn2-c2ccccc2)c1 ZINC000438754543 405254066 /nfs/dbraw/zinc/25/40/66/405254066.db2.gz PNIRNEANTKJTCS-INIZCTEOSA-N 1 0 308.389 2.370 10 0 DEAERO CCc1noc(C)c1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000454305459 405324797 /nfs/dbraw/zinc/32/47/97/405324797.db2.gz TUWWHYWSLKXBDN-UHFFFAOYSA-N 1 0 322.453 2.465 10 0 DEAERO c1cc(-c2noc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)co1 ZINC000420376939 405337497 /nfs/dbraw/zinc/33/74/97/405337497.db2.gz AULWPDUFZZULSL-OCCSQVGLSA-N 1 0 302.378 2.294 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc(I)cn1 ZINC000420196291 405294237 /nfs/dbraw/zinc/29/42/37/405294237.db2.gz LKZHLPBNGLTEBK-WCBMZHEXSA-N 1 0 317.174 2.226 10 0 DEAERO Cc1ccc2[nH]c(CNC(=O)N(CC[NH+](C)C)C(C)C)nc2c1 ZINC000440240257 405307027 /nfs/dbraw/zinc/30/70/27/405307027.db2.gz KIVQUFLKDOUMRO-UHFFFAOYSA-N 1 0 317.437 2.353 10 0 DEAERO COCCN(C(=O)Nc1ccccc1CC[NH+](C)C)C1CC1 ZINC000446589973 405385871 /nfs/dbraw/zinc/38/58/71/405385871.db2.gz MVIVINRBUVEMJL-UHFFFAOYSA-N 1 0 305.422 2.433 10 0 DEAERO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@]2(CCO)CCOC2)cc1 ZINC000447090837 405402100 /nfs/dbraw/zinc/40/21/00/405402100.db2.gz MQVNCDSWTGONES-GOSISDBHSA-N 1 0 321.417 2.273 10 0 DEAERO c1cc(CN2CCOCC2)cc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000420920461 405405526 /nfs/dbraw/zinc/40/55/26/405405526.db2.gz JSUKFCIJGNORGY-IBGZPJMESA-N 1 0 316.445 2.130 10 0 DEAERO c1cc(C[N@@H+]2CCOCC3(CC3)C2)ccc1CN1CCOCC1 ZINC000420931105 405408527 /nfs/dbraw/zinc/40/85/27/405408527.db2.gz FWDXSKDKLWWGRQ-UHFFFAOYSA-N 1 0 316.445 2.131 10 0 DEAERO C[C@@H](CNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000455430152 405408733 /nfs/dbraw/zinc/40/87/33/405408733.db2.gz JLGWKBDMLDMQCA-OFQRWUPVSA-N 1 0 305.422 2.108 10 0 DEAERO C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CCC12CCCC2 ZINC000455656789 405440637 /nfs/dbraw/zinc/44/06/37/405440637.db2.gz LFJZVIQIYVSIBN-CYBMUJFWSA-N 1 0 305.426 2.289 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)C2CC(O)(CCC(C)(C)C)C2)C1 ZINC000448758843 405444894 /nfs/dbraw/zinc/44/48/94/405444894.db2.gz BJFZAGSQNVMWRA-SYJJWHGVSA-N 1 0 310.482 2.412 10 0 DEAERO COC[C@@H](C)C[NH2+]Cc1snc(OC)c1Br ZINC000638445376 405472646 /nfs/dbraw/zinc/47/26/46/405472646.db2.gz NJAVKWSHZNLKRT-ZETCQYMHSA-N 1 0 309.229 2.286 10 0 DEAERO CCn1cncc1C[N@@H+]1CC[C@](O)(Cc2ccc(F)cc2)C1 ZINC000421365299 405476237 /nfs/dbraw/zinc/47/62/37/405476237.db2.gz BFTYEVNMUGWPFS-KRWDZBQOSA-N 1 0 303.381 2.222 10 0 DEAERO CCC[C@H](O)C[NH2+]Cc1snc(OC)c1Br ZINC000638587510 405558973 /nfs/dbraw/zinc/55/89/73/405558973.db2.gz FBEFVEFNMORVQK-ZETCQYMHSA-N 1 0 309.229 2.165 10 0 DEAERO COc1nsc(C[NH2+][C@H]2CCCC[C@@H]2O)c1Br ZINC000638594051 405562823 /nfs/dbraw/zinc/56/28/23/405562823.db2.gz CMLNDXWUXJGKRL-YUMQZZPRSA-N 1 0 321.240 2.307 10 0 DEAERO CC(=O)CN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)C(C)C ZINC000633222640 405513162 /nfs/dbraw/zinc/51/31/62/405513162.db2.gz BIZNMFWYOOXPEP-UHFFFAOYSA-N 1 0 317.433 2.432 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C)c(C)c2)CC12COC2 ZINC000449365806 405526833 /nfs/dbraw/zinc/52/68/33/405526833.db2.gz QIYFBMGALXEIRE-MRXNPFEDSA-N 1 0 303.402 2.315 10 0 DEAERO CO[C@@H]1C[C@@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)C12CCC2 ZINC000458675347 405536989 /nfs/dbraw/zinc/53/69/89/405536989.db2.gz XHMOBMTUSNUFAT-HZPDHXFCSA-N 1 0 321.465 2.237 10 0 DEAERO CCc1noc(C)c1CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000458818729 405608158 /nfs/dbraw/zinc/60/81/58/405608158.db2.gz OKZGJMGLSXWAPF-OAHLLOKOSA-N 1 0 308.426 2.027 10 0 DEAERO C(c1nnc(C2CC2)s1)N1CCOC2(CCOCC2)CC1 ZINC000528450063 405614144 /nfs/dbraw/zinc/61/41/44/405614144.db2.gz HRDHXGKQZWXHGQ-UHFFFAOYSA-N 1 0 309.435 2.187 10 0 DEAERO O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000449475771 405578875 /nfs/dbraw/zinc/57/88/75/405578875.db2.gz UVGUHVSJYBZWJH-KZNAEPCWSA-N 1 0 312.417 2.393 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)Cc2ccc(Br)cc2)C[NH2+]1 ZINC000638654140 405598095 /nfs/dbraw/zinc/59/80/95/405598095.db2.gz JFVPTPIKVNESSR-MFKMUULPSA-N 1 0 311.223 2.248 10 0 DEAERO C(C[NH2+]CC1(CN2CCOCC2)CCCCC1)C[C@H]1CCO1 ZINC000638733723 405640155 /nfs/dbraw/zinc/64/01/55/405640155.db2.gz CYYYCBXAHDQCPH-KRWDZBQOSA-N 1 0 310.482 2.428 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CCCC12CC2 ZINC000638794586 405673977 /nfs/dbraw/zinc/67/39/77/405673977.db2.gz FBDWWKFWEGLGTC-SJORKVTESA-N 1 0 315.461 2.142 10 0 DEAERO CC[C@](C)(NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000638858131 405720333 /nfs/dbraw/zinc/72/03/33/405720333.db2.gz LQRUNFSHGNDQCV-AEFFLSMTSA-N 1 0 303.450 2.141 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC000636091444 405731719 /nfs/dbraw/zinc/73/17/19/405731719.db2.gz IWZREMIIJRZKEY-IYBDPMFKSA-N 1 0 316.401 2.011 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)CC2 ZINC000530422198 405799573 /nfs/dbraw/zinc/79/95/73/405799573.db2.gz RRSDEGRNKUVTGI-CZUORRHYSA-N 1 0 318.465 2.094 10 0 DEAERO C(CN1CCC([NH2+]C2CCC3(CC3)CC2)CC1)N1CCOCC1 ZINC000559959585 405763893 /nfs/dbraw/zinc/76/38/93/405763893.db2.gz XTYMVELWFVFKLK-UHFFFAOYSA-N 1 0 321.509 2.095 10 0 DEAERO CO[C@H](C[NH2+]C[C@H]1CCCCS1(=O)=O)C1CCCCC1 ZINC000639035635 405833107 /nfs/dbraw/zinc/83/31/07/405833107.db2.gz FUINKMUMGYHYLX-HUUCEWRRSA-N 1 0 303.468 2.139 10 0 DEAERO c1ccc(N2CC[C@H](C[N@@H+]3CCO[C@@]4(CCOC4)C3)C2)cc1 ZINC000639052050 405847567 /nfs/dbraw/zinc/84/75/67/405847567.db2.gz HTWMELBXTQPPOY-AEFFLSMTSA-N 1 0 302.418 2.004 10 0 DEAERO COc1nsc(C[NH2+][C@@](C)(CO)C(C)C)c1Br ZINC000639192883 405959712 /nfs/dbraw/zinc/95/97/12/405959712.db2.gz WMHOHXFQQOAVTJ-NSHDSACASA-N 1 0 323.256 2.411 10 0 DEAERO CC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000450477066 405919357 /nfs/dbraw/zinc/91/93/57/405919357.db2.gz UMSBMELCRXGHNY-ZWKOTPCHSA-N 1 0 305.418 2.050 10 0 DEAERO CC[NH+]1CCC(CCNS(=O)(=O)CCC(C)(C)C)CC1 ZINC000531195518 405923292 /nfs/dbraw/zinc/92/32/92/405923292.db2.gz ZVKSLDVWYJFVIB-UHFFFAOYSA-N 1 0 304.500 2.464 10 0 DEAERO C[C@H]1CC(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C[C@H](C)C1 ZINC000639309239 406036832 /nfs/dbraw/zinc/03/68/32/406036832.db2.gz RDZDMSJDKIPJLV-GHMZBOCLSA-N 1 0 300.424 2.089 10 0 DEAERO c1cn([C@H]2CCC[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)nn1 ZINC000639277253 406015674 /nfs/dbraw/zinc/01/56/74/406015674.db2.gz KCUFYEQJRGQFJN-WMZOPIPTSA-N 1 0 311.433 2.442 10 0 DEAERO CCn1nnc(C)c1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000562516171 406022367 /nfs/dbraw/zinc/02/23/67/406022367.db2.gz IXBARULUKNZDDQ-HNNXBMFYSA-N 1 0 314.437 2.244 10 0 DEAERO c1c(C[N@@H+]2CCCC[C@@H]2C2CCC2)nnn1C[C@@H]1CCOC1 ZINC000639290354 406026402 /nfs/dbraw/zinc/02/64/02/406026402.db2.gz ROGXAJBHFBKUHL-WMLDXEAASA-N 1 0 304.438 2.469 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@H+](C)CCc1cccc(Br)c1 ZINC000451059717 406033740 /nfs/dbraw/zinc/03/37/40/406033740.db2.gz OAMPZCABGNEYEW-AWEZNQCLSA-N 1 0 314.223 2.263 10 0 DEAERO COc1nsc(C[NH2+]CC[C@@H](C)CCO)c1Br ZINC000639214246 405979882 /nfs/dbraw/zinc/97/98/82/405979882.db2.gz OBZRFVKRLMANIT-MRVPVSSYSA-N 1 0 323.256 2.412 10 0 DEAERO CC[C@@H]([NH2+]Cc1snc(OC)c1Br)[C@@H](C)O ZINC000639236950 405996689 /nfs/dbraw/zinc/99/66/89/405996689.db2.gz UHOLERMQJFCBDT-RNFRBKRXSA-N 1 0 309.229 2.163 10 0 DEAERO C(c1nc(C2CCC2)no1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000639450363 406093469 /nfs/dbraw/zinc/09/34/69/406093469.db2.gz KXDSJCMKAHXFKI-OAHLLOKOSA-N 1 0 320.437 2.024 10 0 DEAERO c1ccc(C[N@@H+]2CCCO[C@H](CN3C[C@@H]4C[C@H]3CS4)C2)cc1 ZINC000459784542 406045310 /nfs/dbraw/zinc/04/53/10/406045310.db2.gz AEUDCQMPYYSGEX-BZSNNMDCSA-N 1 0 318.486 2.467 10 0 DEAERO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532124526 406047776 /nfs/dbraw/zinc/04/77/76/406047776.db2.gz QQKJXVHCVHIYPV-STQMWFEESA-N 1 0 310.438 2.097 10 0 DEAERO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532125095 406048005 /nfs/dbraw/zinc/04/80/05/406048005.db2.gz ZSWQUBMLWFXILE-ZIAGYGMSSA-N 1 0 312.454 2.345 10 0 DEAERO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000532378794 406072425 /nfs/dbraw/zinc/07/24/25/406072425.db2.gz BBUFIHGKFCHKCC-CQSZACIVSA-N 1 0 310.438 2.053 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)[C@@H](C)OC)c1ccco1 ZINC000460140721 406079134 /nfs/dbraw/zinc/07/91/34/406079134.db2.gz CZGCMOAGHWLKLF-MCIONIFRSA-N 1 0 311.426 2.385 10 0 DEAERO c1cc2c(cc1C[NH2+]CCc1cnc(C3CC3)nc1)OCCO2 ZINC000533740280 406160172 /nfs/dbraw/zinc/16/01/72/406160172.db2.gz DIDVNSATLUCVBC-UHFFFAOYSA-N 1 0 311.385 2.458 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639594279 406160371 /nfs/dbraw/zinc/16/03/71/406160371.db2.gz YXWFFZYMAUUQSU-YJBOKZPZSA-N 1 0 315.417 2.088 10 0 DEAERO c1nc2n(n1)[C@@H](C[N@@H+]1CCC[C@]3(C1)OCc1ccccc13)CC2 ZINC000639593871 406160547 /nfs/dbraw/zinc/16/05/47/406160547.db2.gz WVJJUTRSYLLYHS-CRAIPNDOSA-N 1 0 310.401 2.287 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCOC[C@@H]1CCCO1)CC2 ZINC000533766649 406162142 /nfs/dbraw/zinc/16/21/42/406162142.db2.gz MUGJCRBSHYGZHX-IBGZPJMESA-N 1 0 317.429 2.485 10 0 DEAERO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000516787302 406106353 /nfs/dbraw/zinc/10/63/53/406106353.db2.gz JOEMMTZILFNPOI-JKSUJKDBSA-N 1 0 308.447 2.263 10 0 DEAERO c1nc2n(n1)[C@@H](C[N@H+]1CC[C@@H](COCc3ccccc3)C1)CC2 ZINC000639499400 406116713 /nfs/dbraw/zinc/11/67/13/406116713.db2.gz AQFHFXQYQYGAFG-IAGOWNOFSA-N 1 0 312.417 2.304 10 0 DEAERO c1nc2n(n1)[C@@H](C[N@@H+]1CC3(CCOCC3)[C@@H]3CCC[C@@H]31)CC2 ZINC000639666509 406197563 /nfs/dbraw/zinc/19/75/63/406197563.db2.gz SYRBYVOOASCIDY-KFWWJZLASA-N 1 0 302.422 2.047 10 0 DEAERO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N(C)CCC[NH+](C)C)c1 ZINC000568155375 406198421 /nfs/dbraw/zinc/19/84/21/406198421.db2.gz CAFRWPVVFSNOKS-GOEBONIOSA-N 1 0 320.433 2.217 10 0 DEAERO C[C@]1(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1(F)F ZINC000634650005 406208033 /nfs/dbraw/zinc/20/80/33/406208033.db2.gz ZBMUOWLEHVPJFT-CVEARBPZSA-N 1 0 310.388 2.258 10 0 DEAERO CC(=O)N1CCCc2cc(NC(=O)C[N@H+]3CC[C@H](C)C3)ccc21 ZINC000519703843 406238145 /nfs/dbraw/zinc/23/81/45/406238145.db2.gz KMFPIAMTUNBIFO-ZDUSSCGKSA-N 1 0 315.417 2.266 10 0 DEAERO COC(=O)COc1c(C)cc(C[N@H+](C)C2CCOCC2)cc1C ZINC000535786364 406239517 /nfs/dbraw/zinc/23/95/17/406239517.db2.gz WQRFUXDJGIKNCY-UHFFFAOYSA-N 1 0 321.417 2.466 10 0 DEAERO C[C@]1(F)C[NH2+]CCN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000569003101 292383357 /nfs/dbraw/zinc/38/33/57/292383357.db2.gz QGYYCAJAMASQDQ-HNNXBMFYSA-N 1 0 324.787 2.122 10 0 DEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1occc1Br)C2 ZINC000634747292 406261975 /nfs/dbraw/zinc/26/19/75/406261975.db2.gz FLMPZBHBAGKBLS-BETUJISGSA-N 1 0 313.195 2.114 10 0 DEAERO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000488719228 406340940 /nfs/dbraw/zinc/34/09/40/406340940.db2.gz NQXQGLUHTINUAI-LZWOXQAQSA-N 1 0 302.418 2.057 10 0 DEAERO O=C(c1cncc(Br)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632878565 406304903 /nfs/dbraw/zinc/30/49/03/406304903.db2.gz ULNPAWYPLBSTHV-MFKMUULPSA-N 1 0 324.222 2.058 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000634949208 406365953 /nfs/dbraw/zinc/36/59/53/406365953.db2.gz KMOJOAJQRFNJPC-CQSZACIVSA-N 1 0 301.839 2.439 10 0 DEAERO O=C(CCC1C[NH2+]C1)NCc1cc(F)ccc1Br ZINC000637909615 406472353 /nfs/dbraw/zinc/47/23/53/406472353.db2.gz SKKHNTFATGACFE-UHFFFAOYSA-N 1 0 315.186 2.204 10 0 DEAERO CCCCN(C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000637938006 406485926 /nfs/dbraw/zinc/48/59/26/406485926.db2.gz ZQMVJQQMTICXMX-QGZVFWFLSA-N 1 0 303.450 2.237 10 0 DEAERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000524797247 406462365 /nfs/dbraw/zinc/46/23/65/406462365.db2.gz XYVSVGQDVOLDDZ-GJZGRUSLSA-N 1 0 317.433 2.335 10 0 DEAERO CC(=O)N1CCc2cc(NC(=O)c3oc(C[NH3+])cc3C)ccc21 ZINC000637890583 406464450 /nfs/dbraw/zinc/46/44/50/406464450.db2.gz VCYFOHSFSNPNOQ-UHFFFAOYSA-N 1 0 313.357 2.208 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N(C)CCC[NH+](C)C)CC2 ZINC000526009705 406533255 /nfs/dbraw/zinc/53/32/55/406533255.db2.gz NPGDKUQZRSHVQY-CYBMUJFWSA-N 1 0 306.454 2.048 10 0 DEAERO COc1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)cc1Br ZINC000637975723 406505377 /nfs/dbraw/zinc/50/53/77/406505377.db2.gz VRUMZEJWCAFNOA-SECBINFHSA-N 1 0 311.179 2.444 10 0 DEAERO C[C@](O)(C1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1)C(F)(F)F ZINC000527299206 406613193 /nfs/dbraw/zinc/61/31/93/406613193.db2.gz PNKOIMGHRBJPGK-UWVGGRQHSA-N 1 0 323.277 2.325 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1csc(C(F)(F)F)c1)C(F)(F)F ZINC000638396254 406747592 /nfs/dbraw/zinc/74/75/92/406747592.db2.gz AKJMWJSEKRVOGG-RXMQYKEDSA-N 1 0 306.231 2.386 10 0 DEAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000527803140 406757331 /nfs/dbraw/zinc/75/73/31/406757331.db2.gz CMSRDRLBOLMDGN-JXVAYASWSA-N 1 0 302.216 2.084 10 0 DEAERO CC(C)[C@@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)C1CC1 ZINC000638423690 406764901 /nfs/dbraw/zinc/76/49/01/406764901.db2.gz CXRCQQALFLWHLN-IAOVAPTHSA-N 1 0 304.434 2.470 10 0 DEAERO Cc1cc(F)cc2c1C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)CC2 ZINC000554563416 406812360 /nfs/dbraw/zinc/81/23/60/406812360.db2.gz ODQKHFNWWHVHQI-IRXDYDNUSA-N 1 0 323.408 2.049 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)CC3CCCC3)[C@@H]2C1 ZINC000554746201 406823733 /nfs/dbraw/zinc/82/37/33/406823733.db2.gz TWZLDKAYSAKJCJ-FJIDUMEYSA-N 1 0 308.466 2.164 10 0 DEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000642342514 406921072 /nfs/dbraw/zinc/92/10/72/406921072.db2.gz XNORCDMKFKOTIO-ILXRZTDVSA-N 1 0 304.500 2.318 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(F)cc1N(C)C ZINC000180594418 287071749 /nfs/dbraw/zinc/07/17/49/287071749.db2.gz GCCRCVNPHYUXEW-YPMHNXCESA-N 1 0 303.385 2.149 10 0 DEAERO C[C@H]([NH3+])Cc1cnc(Oc2cncc(Br)c2)nc1 ZINC000128723958 195986582 /nfs/dbraw/zinc/98/65/82/195986582.db2.gz DVASHLVSOLWQBX-QMMMGPOBSA-N 1 0 309.167 2.316 10 0 DEAERO CC[C@H]([NH3+])[C@@H](O)c1ncc(Br)cc1Br ZINC000129046520 196015137 /nfs/dbraw/zinc/01/51/37/196015137.db2.gz GJAHXRDTJSBBPF-IONNQARKSA-N 1 0 324.016 2.377 10 0 DEAERO CCNc1ncc(Br)c(NC2CC[NH+](C)CC2)n1 ZINC000129118414 196021269 /nfs/dbraw/zinc/02/12/69/196021269.db2.gz JSQKGIRVJHHUIT-UHFFFAOYSA-N 1 0 314.231 2.177 10 0 DEAERO CCCNC(=[NH2+])NCc1cc(Br)cc2c1OCC2 ZINC000129204714 196028750 /nfs/dbraw/zinc/02/87/50/196028750.db2.gz LSQDLKFYZUTSKT-UHFFFAOYSA-N 1 0 312.211 2.408 10 0 DEAERO CCCn1cc(Br)cc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000129234301 196030987 /nfs/dbraw/zinc/03/09/87/196030987.db2.gz DBOLWMKQNRRCFV-LLVKDONJSA-N 1 0 314.227 2.128 10 0 DEAERO CCC[NH2+]C[C@H]1CC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129286023 196035858 /nfs/dbraw/zinc/03/58/58/196035858.db2.gz HFUWOFNXLSTBKR-SOUVJXGZSA-N 1 0 302.484 2.074 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129312097 196038289 /nfs/dbraw/zinc/03/82/89/196038289.db2.gz SUJFUPFRQYOYIJ-KKUMJFAQSA-N 1 0 302.484 2.072 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1ncc(Br)cc1C ZINC000129564413 196057967 /nfs/dbraw/zinc/05/79/67/196057967.db2.gz POCIYQNOLPECBU-UHFFFAOYSA-N 1 0 300.200 2.479 10 0 DEAERO C[C@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1ccccc1Cl ZINC000129697101 196068824 /nfs/dbraw/zinc/06/88/24/196068824.db2.gz JNYLHBYZXBIBKI-LBPRGKRZSA-N 1 0 309.841 2.201 10 0 DEAERO O=C1C[C@@H]([NH2+]CCCC(F)(F)F)C(=O)N1C1CCCCC1 ZINC000130546368 196089952 /nfs/dbraw/zinc/08/99/52/196089952.db2.gz QJSJXDYRJYCDDE-LLVKDONJSA-N 1 0 306.328 2.379 10 0 DEAERO O=C1C[C@H]([NH2+]CCCC(F)(F)F)C(=O)N1c1ccccc1 ZINC000130547949 196089978 /nfs/dbraw/zinc/08/99/78/196089978.db2.gz KTWPDEBVIRGIIP-NSHDSACASA-N 1 0 300.280 2.251 10 0 DEAERO CCCC[C@@H](C[NH3+])Nc1nc2c(Br)cccn2n1 ZINC000130578788 196092134 /nfs/dbraw/zinc/09/21/34/196092134.db2.gz SAACYWCWEHDSMC-VIFPVBQESA-N 1 0 312.215 2.421 10 0 DEAERO COc1ccc(C(N)=S)c(N2CCC(C[NH+](C)C)CC2)c1 ZINC000130587967 196093585 /nfs/dbraw/zinc/09/35/85/196093585.db2.gz DBPXOKIXTQEBLE-UHFFFAOYSA-N 1 0 307.463 2.107 10 0 DEAERO CC(C)n1ncnc1C[C@@H]([NH3+])c1ccc(Br)cn1 ZINC000130779311 196109458 /nfs/dbraw/zinc/10/94/58/196109458.db2.gz XOHPYNVEFWQNRL-SNVBAGLBSA-N 1 0 310.199 2.259 10 0 DEAERO COCC[NH2+][C@@](C)(CO)c1cc(Br)ccc1F ZINC000131057033 196135272 /nfs/dbraw/zinc/13/52/72/196135272.db2.gz RRIMTXRNMNMAOQ-LBPRGKRZSA-N 1 0 306.175 2.032 10 0 DEAERO CC[NH2+][C@@H](C)c1c(CC)nn(CCCS(C)(=O)=O)c1CC ZINC000131115399 196141382 /nfs/dbraw/zinc/14/13/82/196141382.db2.gz IBTYCTBYBSELGS-LBPRGKRZSA-N 1 0 315.483 2.113 10 0 DEAERO CC(C)[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc(F)cc1Cl ZINC000131156714 196144810 /nfs/dbraw/zinc/14/48/10/196144810.db2.gz TWZKWUUWNVYIAM-GFCCVEGCSA-N 1 0 308.806 2.131 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)c1ccc(OC)c(F)c1 ZINC000131197943 196148356 /nfs/dbraw/zinc/14/83/56/196148356.db2.gz NVVRFTGIIORPJL-CYBMUJFWSA-N 1 0 303.399 2.310 10 0 DEAERO C[NH2+]Cc1ccc(CS(=O)(=O)NCCCC(F)(F)F)cc1 ZINC000131216872 196150431 /nfs/dbraw/zinc/15/04/31/196150431.db2.gz BTXCRDVIHOYGEM-UHFFFAOYSA-N 1 0 324.368 2.168 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1ccc(F)cc1Br ZINC000131306490 196159287 /nfs/dbraw/zinc/15/92/87/196159287.db2.gz APZJTNPQJMIZNY-LLVKDONJSA-N 1 0 324.215 2.413 10 0 DEAERO O=C(Cc1cnc2ccccc2c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000131398513 196165030 /nfs/dbraw/zinc/16/50/30/196165030.db2.gz MDEGHKBVKUGLPQ-QGZVFWFLSA-N 1 0 309.413 2.474 10 0 DEAERO CCc1nn(CCOCC(F)(F)F)c(CC)c1C[C@H](C)[NH3+] ZINC000131447362 196169867 /nfs/dbraw/zinc/16/98/67/196169867.db2.gz NZVWEURIOJCFJT-JTQLQIEISA-N 1 0 307.360 2.477 10 0 DEAERO COc1ccc(C(N)=S)cc1C[N@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000131720903 196193985 /nfs/dbraw/zinc/19/39/85/196193985.db2.gz CBJLTKRPYZLGMJ-KGLIPLIRSA-N 1 0 308.447 2.065 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)cc1 ZINC000131750252 196195905 /nfs/dbraw/zinc/19/59/05/196195905.db2.gz KFKJHQZXCWQWGE-KBPBESRZSA-N 1 0 310.463 2.115 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2F)CC[C@@H]1C ZINC000131754242 196196536 /nfs/dbraw/zinc/19/65/36/196196536.db2.gz MQITZGFTDQHBDI-UWVGGRQHSA-N 1 0 318.389 2.090 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(OCCS(=O)(=O)CC)c(F)c1 ZINC000131792624 196199309 /nfs/dbraw/zinc/19/93/09/196199309.db2.gz PVNKQYXUERIMLW-LLVKDONJSA-N 1 0 303.399 2.310 10 0 DEAERO COC[C@H](C)[C@@H](C[NH3+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000131936298 196211943 /nfs/dbraw/zinc/21/19/43/196211943.db2.gz XHXXGZFWECUMHB-XJKSGUPXSA-N 1 0 311.857 2.072 10 0 DEAERO CS(=O)(=O)c1ccc(Cl)c(NC[C@H]2CCC[NH2+]C2)c1 ZINC000132067025 196224209 /nfs/dbraw/zinc/22/42/09/196224209.db2.gz BJHILFQEIIWXSK-JTQLQIEISA-N 1 0 302.827 2.155 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1sc2cccnc2c1N ZINC000132237183 196237915 /nfs/dbraw/zinc/23/79/15/196237915.db2.gz WKLLWZIXXDHEEN-SNVBAGLBSA-N 1 0 304.419 2.093 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H](COCc2ccc(Br)cc2)O1 ZINC000132683228 196275688 /nfs/dbraw/zinc/27/56/88/196275688.db2.gz OFZMUOSBSLYQQL-GWCFXTLKSA-N 1 0 300.196 2.343 10 0 DEAERO C[C@H]([NH2+]CCNC(N)=O)c1ccc(Br)cc1Cl ZINC000132780977 196283161 /nfs/dbraw/zinc/28/31/61/196283161.db2.gz VCKDHIAEWKOTAS-ZETCQYMHSA-N 1 0 320.618 2.421 10 0 DEAERO COCc1nc(N[C@@H](C)c2sc(C)nc2C)cc(NN)[nH+]1 ZINC000132823757 196286688 /nfs/dbraw/zinc/28/66/88/196286688.db2.gz OLQSXRPEMRXZFL-QMMMGPOBSA-N 1 0 308.411 2.155 10 0 DEAERO CCn1ncc(Br)c1[C@]1(O)CC[N@@H+]2CCC[C@@H]2C1 ZINC000132986535 196301845 /nfs/dbraw/zinc/30/18/45/196301845.db2.gz ZVFSGUFUPZCABF-MFKMUULPSA-N 1 0 314.227 2.111 10 0 DEAERO COc1ccc(Br)c(C[C@@H](O)C2CC[NH2+]CC2)c1 ZINC000133000602 196303925 /nfs/dbraw/zinc/30/39/25/196303925.db2.gz YYDMVAZSALIZLX-CQSZACIVSA-N 1 0 314.223 2.361 10 0 DEAERO CC[NH2+]Cc1sc(N2CCS(=O)CC2)nc1[C@@H](C)CC ZINC000133101095 196311688 /nfs/dbraw/zinc/31/16/88/196311688.db2.gz UPCIDGOQEQLGFL-NSHDSACASA-N 1 0 315.508 2.335 10 0 DEAERO CC[C@H](C)c1nc(N(CCOC)CCOC)sc1C[NH3+] ZINC000133134913 196314063 /nfs/dbraw/zinc/31/40/63/196314063.db2.gz BOQNRTLXDFVFSU-NSHDSACASA-N 1 0 301.456 2.215 10 0 DEAERO CC[C@@H](CSC)NS(=O)(=O)c1cccc([C@H](C)[NH2+]C)c1 ZINC000133237941 196324010 /nfs/dbraw/zinc/32/40/10/196324010.db2.gz RPFJBBXTCRJYIU-AAEUAGOBSA-N 1 0 316.492 2.387 10 0 DEAERO C[NH2+][C@@H](CC[C@@H]1CCCO1)c1c(Br)cnn1C ZINC000133733005 196332005 /nfs/dbraw/zinc/33/20/05/196332005.db2.gz FOBWGJIHQDHHHH-ONGXEEELSA-N 1 0 302.216 2.402 10 0 DEAERO C[C@](C[NH3+])(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000133760097 196335051 /nfs/dbraw/zinc/33/50/51/196335051.db2.gz SKESLGOYVGSVPF-GFCCVEGCSA-N 1 0 322.352 2.111 10 0 DEAERO COc1ccc([C@@H]([NH3+])c2c(Br)cnn2C)cc1F ZINC000133884486 196342668 /nfs/dbraw/zinc/34/26/68/196342668.db2.gz ZMCKMMNOEZCWFH-LLVKDONJSA-N 1 0 314.158 2.378 10 0 DEAERO COCCn1ncc(Cl)c1[C@H]([NH3+])c1ccc(F)c(OC)c1 ZINC000133962764 196349276 /nfs/dbraw/zinc/34/92/76/196349276.db2.gz DWKBYLBQULJEDB-CYBMUJFWSA-N 1 0 313.760 2.379 10 0 DEAERO COc1ccc2c(c1)-c1nc(N3CC[NH2+]CC3)sc1CC2 ZINC000134024701 196354865 /nfs/dbraw/zinc/35/48/65/196354865.db2.gz HYTGIBORRFNJKU-UHFFFAOYSA-N 1 0 301.415 2.327 10 0 DEAERO CC[NH2+][C@H](Cc1c(Br)c(C)nn1C)C[C@H](C)OC ZINC000134474837 196394575 /nfs/dbraw/zinc/39/45/75/196394575.db2.gz WDTZAAFCLAKCDV-ONGXEEELSA-N 1 0 318.259 2.437 10 0 DEAERO COc1ccc(Br)c(C[C@H](O)CC[NH+](C)C)c1 ZINC000134772218 196418764 /nfs/dbraw/zinc/41/87/64/196418764.db2.gz BQBHFQRPAXCDOI-LLVKDONJSA-N 1 0 302.212 2.313 10 0 DEAERO Cc1csc([C@@H]2CCCN(c3cc[nH+]cc3C(N)=O)C2)n1 ZINC000302127283 230109546 /nfs/dbraw/zinc/10/95/46/230109546.db2.gz AYNBDHRREYFSEC-LLVKDONJSA-N 1 0 302.403 2.329 10 0 DEAERO CCS(=O)(=O)N1CC(CNc2cc[nH+]c3c(C)cccc23)C1 ZINC000302586471 230309504 /nfs/dbraw/zinc/30/95/04/230309504.db2.gz VHPYZNIMSLLXLO-UHFFFAOYSA-N 1 0 319.430 2.237 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](Nc2cc[nH]n2)CC1 ZINC000616627588 422515213 /nfs/dbraw/zinc/51/52/13/422515213.db2.gz HSDKGAXWRYREBU-ZDUSSCGKSA-N 1 0 323.441 2.201 10 0 DEAERO CC[C@H](CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000037851500 424808214 /nfs/dbraw/zinc/80/82/14/424808214.db2.gz JVYIVKWWZCFBIN-NXEZZACHSA-N 1 0 308.205 2.094 10 0 DEAERO O[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1O)COCc1ccccc1Cl ZINC000052014009 424837201 /nfs/dbraw/zinc/83/72/01/424837201.db2.gz JAWZQKSVNSROEN-IMJJTQAJSA-N 1 0 313.825 2.111 10 0 DEAERO CC[NH+](CC)CCCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000049934608 424837864 /nfs/dbraw/zinc/83/78/64/424837864.db2.gz VPKGZBKMVSJQEO-CQSZACIVSA-N 1 0 320.437 2.045 10 0 DEAERO c1cnn(CCCCC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105884585 424849285 /nfs/dbraw/zinc/84/92/85/424849285.db2.gz SXAVNMYTWDQHPJ-MRXNPFEDSA-N 1 0 302.426 2.057 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000548482261 424870670 /nfs/dbraw/zinc/87/06/70/424870670.db2.gz URBQUVLXDHOUNT-UHFFFAOYSA-N 1 0 319.434 2.621 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(=O)n(C)c1)CC(C)C ZINC000194763178 424878215 /nfs/dbraw/zinc/87/82/15/424878215.db2.gz FHZMEKKSEPJQEN-HNNXBMFYSA-N 1 0 322.453 2.263 10 0 DEAERO COc1ccc(Br)cc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000384960833 424911814 /nfs/dbraw/zinc/91/18/14/424911814.db2.gz IHGMMVOQUSTWKV-LDYMZIIASA-N 1 0 313.195 2.019 10 0 DEAERO c1ccc(-c2noc(CN3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)nc1 ZINC000391115445 424918972 /nfs/dbraw/zinc/91/89/72/424918972.db2.gz GZVMVTXWWFARDE-ZIAGYGMSSA-N 1 0 313.405 2.096 10 0 DEAERO CC(C)[C@H](C(=O)N1CCN(Cc2ccccc2)C[C@H]1C)[C@@H](C)[NH3+] ZINC000399369719 424922685 /nfs/dbraw/zinc/92/26/85/424922685.db2.gz KFTYGLJSOKGLNX-NUJGCVRESA-N 1 0 317.477 2.339 10 0 DEAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cncc(Br)c1 ZINC000401613067 424923781 /nfs/dbraw/zinc/92/37/81/424923781.db2.gz LJZJOPLLWGZIHB-LBPRGKRZSA-N 1 0 324.222 2.249 10 0 DEAERO [NH3+]CC1(CCNC(=O)c2ccc(Br)c(F)c2)CC1 ZINC000404514911 424928078 /nfs/dbraw/zinc/92/80/78/424928078.db2.gz IFSQDQMVJSPJNH-UHFFFAOYSA-N 1 0 315.186 2.447 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)c1nscc1Br ZINC000404887051 424929540 /nfs/dbraw/zinc/92/95/40/424929540.db2.gz JFOJZXNEOUGQLS-UHFFFAOYSA-N 1 0 320.256 2.367 10 0 DEAERO O[C@@H]1C[C@H]2CN(Cc3c(Cl)cccc3Cl)CC[N@@H+]2C1 ZINC000405310366 424931728 /nfs/dbraw/zinc/93/17/28/424931728.db2.gz MUBAJJPQKUYYSN-WDEREUQCSA-N 1 0 301.217 2.244 10 0 DEAERO CCOC(=O)C[C@@H]([NH3+])c1ccccc1I ZINC000575439320 424946768 /nfs/dbraw/zinc/94/67/68/424946768.db2.gz SAWBGPVIIFGCIO-SNVBAGLBSA-N 1 0 319.142 2.244 10 0 DEAERO c1ccc(-c2ccc(NCC[NH2+][C@H]3CCCSC3)nn2)cc1 ZINC000341204950 424952518 /nfs/dbraw/zinc/95/25/18/424952518.db2.gz KDNAXCNYODXUFO-HNNXBMFYSA-N 1 0 314.458 3.041 10 0 DEAERO O=C1NCC[C@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000657525761 425356666 /nfs/dbraw/zinc/35/66/66/425356666.db2.gz VDUQICNVJFZXSY-SNVBAGLBSA-N 1 0 303.587 2.081 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2c(F)cccc2Br)CC1=O ZINC000657694846 425387150 /nfs/dbraw/zinc/38/71/50/425387150.db2.gz HOCZXVSPVREICS-SECBINFHSA-N 1 0 315.186 2.156 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2cc(Br)ccc2F)CC1=O ZINC000657694403 425387795 /nfs/dbraw/zinc/38/77/95/425387795.db2.gz LRMAKZDJZZIJNJ-SECBINFHSA-N 1 0 315.186 2.156 10 0 DEAERO O=C(NCc1ccccc1Cl)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057029 425391601 /nfs/dbraw/zinc/39/16/01/425391601.db2.gz KNVTZFWOQPUMEY-NXEZZACHSA-N 1 0 306.715 2.354 10 0 DEAERO CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]Cc1conc1C ZINC000657582612 425370203 /nfs/dbraw/zinc/37/02/03/425370203.db2.gz WADIOGKHPVGEGR-XJKSGUPXSA-N 1 0 304.394 2.457 10 0 DEAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCc2nc(C(C)(C)C)no2)C1 ZINC000177520881 267559370 /nfs/dbraw/zinc/55/93/70/267559370.db2.gz ZAISCGQPRFILJG-OLZOCXBDSA-N 1 0 322.453 2.289 10 0 DEAERO CO[C@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC[C@@H]1C ZINC000191039947 267714414 /nfs/dbraw/zinc/71/44/14/267714414.db2.gz NMLISGCOIIDAFB-GJZGRUSLSA-N 1 0 311.470 2.175 10 0 DEAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@@H](C)C2)cc1 ZINC000333629434 268965381 /nfs/dbraw/zinc/96/53/81/268965381.db2.gz GIXBIRWUHGHJMZ-COXVUDFISA-N 1 0 317.433 2.192 10 0 DEAERO C[C@@H]1C[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)O1 ZINC000334026847 269007874 /nfs/dbraw/zinc/00/78/74/269007874.db2.gz HRDQKHODNRAFOL-DDPDARIZSA-N 1 0 309.454 2.114 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396338607 269103124 /nfs/dbraw/zinc/10/31/24/269103124.db2.gz BDAWIVVAQRAENJ-WMLDXEAASA-N 1 0 302.418 2.144 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397276971 269105335 /nfs/dbraw/zinc/10/53/35/269105335.db2.gz POQSTMFDXVPROP-UHTWSYAYSA-N 1 0 314.426 2.128 10 0 DEAERO CC[C@H](C)[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)OC ZINC000494596562 287718627 /nfs/dbraw/zinc/71/86/27/287718627.db2.gz NBLXKHJIRKSNRO-KBPBESRZSA-N 1 0 312.454 2.202 10 0 DEAERO CC[C@H](C)c1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000193415220 287787263 /nfs/dbraw/zinc/78/72/63/287787263.db2.gz AFOPAZWEKMJYQP-XEZPLFJOSA-N 1 0 310.463 2.476 10 0 DEAERO OCC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1CCC1 ZINC000439297406 275046540 /nfs/dbraw/zinc/04/65/40/275046540.db2.gz RPJHISISXRFTJH-CQSZACIVSA-N 1 0 317.351 2.456 10 0 DEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN(Cc2cccs2)CC1 ZINC000262392047 275814894 /nfs/dbraw/zinc/81/48/94/275814894.db2.gz BJVNYLINCHVKBC-OAHLLOKOSA-N 1 0 321.490 2.171 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccc2c(c1)OCCCO2)[NH+](C)C ZINC000161975973 276021425 /nfs/dbraw/zinc/02/14/25/276021425.db2.gz UXKYFEVVJGTYNH-AWEZNQCLSA-N 1 0 306.406 2.194 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc2c1OCCO2 ZINC000176988648 276181934 /nfs/dbraw/zinc/18/19/34/276181934.db2.gz OINGDXFXEPECOO-ZDUSSCGKSA-N 1 0 304.390 2.014 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCCS(=O)(=O)c1ccccc1 ZINC000175329998 276182840 /nfs/dbraw/zinc/18/28/40/276182840.db2.gz KDHWSHISCRGTPB-INIZCTEOSA-N 1 0 324.490 2.267 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3COc4ccccc43)CC[C@@H]21 ZINC000247968118 277067536 /nfs/dbraw/zinc/06/75/36/277067536.db2.gz HAUSRBIUKCQMFU-KBMXLJTQSA-N 1 0 300.402 2.105 10 0 DEAERO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3nc(C(F)(F)F)cs3)C[C@@H]21 ZINC000454300124 277148796 /nfs/dbraw/zinc/14/87/96/277148796.db2.gz JKNFKWYXACWPDF-SFYZADRCSA-N 1 0 320.340 2.330 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2COc3ccccc32)C1 ZINC000247022206 277155584 /nfs/dbraw/zinc/15/55/84/277155584.db2.gz ZMXVQQKWPKHRFG-NUEKZKHPSA-N 1 0 300.402 2.105 10 0 DEAERO CO[C@@H](C)[C@H](C)NC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000190655984 277277218 /nfs/dbraw/zinc/27/72/18/277277218.db2.gz FFDAYZGGRGWPDN-GJZGRUSLSA-N 1 0 311.470 2.317 10 0 DEAERO CO[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[C@@H]1C ZINC000187602673 277297653 /nfs/dbraw/zinc/29/76/53/277297653.db2.gz NGDWZBNGWNBQGE-WMLDXEAASA-N 1 0 323.481 2.460 10 0 DEAERO CC(C)CCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000178945645 277359316 /nfs/dbraw/zinc/35/93/16/277359316.db2.gz CZCMOKQUYOKKTB-JKSUJKDBSA-N 1 0 310.463 2.397 10 0 DEAERO CC(C)CCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245616235 277359448 /nfs/dbraw/zinc/35/94/48/277359448.db2.gz CZCMOKQUYOKKTB-HOTGVXAUSA-N 1 0 310.463 2.397 10 0 DEAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000358117076 277721003 /nfs/dbraw/zinc/72/10/03/277721003.db2.gz AATTYGFSWXWHNU-VQFNDLOPSA-N 1 0 321.509 2.345 10 0 DEAERO C/C(=C/C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000116787318 277727342 /nfs/dbraw/zinc/72/73/42/277727342.db2.gz LLYOSNFJEVOEQY-DDKJEQMHSA-N 1 0 306.381 2.018 10 0 DEAERO CC(C)c1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)nn1C ZINC000130231473 278013819 /nfs/dbraw/zinc/01/38/19/278013819.db2.gz FBFUWFMOKUMOCE-UHFFFAOYSA-N 1 0 306.454 2.394 10 0 DEAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000117806904 278108999 /nfs/dbraw/zinc/10/89/99/278108999.db2.gz GYDDULAJABNCQX-CPUCHLNUSA-N 1 0 302.418 2.351 10 0 DEAERO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)C[C@H]1CCCO1 ZINC000246283287 278197695 /nfs/dbraw/zinc/19/76/95/278197695.db2.gz NUXDHRYCHPEIOG-WMLDXEAASA-N 1 0 302.418 2.071 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000107346772 278781417 /nfs/dbraw/zinc/78/14/17/278781417.db2.gz QDZRRPSLCJEYQF-LSDHHAIUSA-N 1 0 311.470 2.001 10 0 DEAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177169885 279138353 /nfs/dbraw/zinc/13/83/53/279138353.db2.gz GDSVKPBFHRSSQV-ZBYUQBLASA-N 1 0 300.402 2.293 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNc1ccc2nnc(C(F)(F)F)n2n1 ZINC000032072474 279145332 /nfs/dbraw/zinc/14/53/32/279145332.db2.gz JGMAAGACXRWBAE-VIFPVBQESA-N 1 0 316.331 2.285 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000249486001 279167200 /nfs/dbraw/zinc/16/72/00/279167200.db2.gz YGFIMBLTGUALJV-ARFHVFGLSA-N 1 0 313.486 2.155 10 0 DEAERO CC[N@H+](CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C)C1CC1 ZINC000471816325 279196172 /nfs/dbraw/zinc/19/61/72/279196172.db2.gz NCQUKIXGMWDAPL-ZYHUDNBSSA-N 1 0 307.360 2.453 10 0 DEAERO CC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCCC1 ZINC000085785127 279218945 /nfs/dbraw/zinc/21/89/45/279218945.db2.gz WPGOFUOFZHMKHK-AWEZNQCLSA-N 1 0 302.484 2.313 10 0 DEAERO Cc1nnc([C@H]2Cc3ccccc3CN2C[C@]2(C)CC[NH2+]C2)o1 ZINC000261933922 279233140 /nfs/dbraw/zinc/23/31/40/279233140.db2.gz DALGHGCJMGENMM-SJLPKXTDSA-N 1 0 312.417 2.477 10 0 DEAERO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000328638530 279252665 /nfs/dbraw/zinc/25/26/65/279252665.db2.gz PCQRGHNQSQAARO-VMGRFDJRSA-N 1 0 320.437 2.375 10 0 DEAERO CC(C)N(C(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C)c1ccccc1 ZINC000103285661 279285065 /nfs/dbraw/zinc/28/50/65/279285065.db2.gz BDBLCQJTTTWTOG-HUUCEWRRSA-N 1 0 317.433 2.014 10 0 DEAERO C[C@H]1CCN(C(=O)c2ncccc2Br)[C@H](C[NH3+])C1 ZINC000231770437 279714850 /nfs/dbraw/zinc/71/48/50/279714850.db2.gz CAMLFVBASJOGQR-UWVGGRQHSA-N 1 0 312.211 2.044 10 0 DEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000263228083 280165205 /nfs/dbraw/zinc/16/52/05/280165205.db2.gz NBMFXVXAPCBBHF-QAPCUYQASA-N 1 0 316.449 2.074 10 0 DEAERO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2C)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000194730911 280215117 /nfs/dbraw/zinc/21/51/17/280215117.db2.gz ZZRYJHUMGDSNQR-LBPRGKRZSA-N 1 0 317.433 2.302 10 0 DEAERO CC[C@@H]1CN(C(=O)C2C[C@H](C)C[C@@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000248413034 280347005 /nfs/dbraw/zinc/34/70/05/280347005.db2.gz KTGVITOJOMDUPM-KCYZZUKISA-N 1 0 310.482 2.362 10 0 DEAERO Cc1cc(N2CC[C@H]([NH2+]C3[C@H](C)CCC[C@H]3C)C2=O)n(C)n1 ZINC000408196035 280576841 /nfs/dbraw/zinc/57/68/41/280576841.db2.gz ABEBYBGEUREXKO-BZPMIXESSA-N 1 0 304.438 2.248 10 0 DEAERO Cc1ccc(O)c(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000262425977 280920235 /nfs/dbraw/zinc/92/02/35/280920235.db2.gz FKGQVQCCVOYFQP-HYSWKAIVSA-N 1 0 304.390 2.172 10 0 DEAERO Cc1ccc2[nH]c(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc2c1C ZINC000116792893 281024022 /nfs/dbraw/zinc/02/40/22/281024022.db2.gz LGDAOZLLMYEMQD-AWEZNQCLSA-N 1 0 315.417 2.187 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCC(=O)N(CC)CC ZINC000175012267 288308394 /nfs/dbraw/zinc/30/83/94/288308394.db2.gz WTFAGGYPHZLFAJ-JKSUJKDBSA-N 1 0 323.481 2.110 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCC(C)(C)C ZINC000173832608 288311655 /nfs/dbraw/zinc/31/16/55/288311655.db2.gz VAJVETNWLZYNIX-UONOGXRCSA-N 1 0 302.484 2.311 10 0 DEAERO C[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000088455650 281613686 /nfs/dbraw/zinc/61/36/86/281613686.db2.gz OSPVYOOASRXOQO-NSHDSACASA-N 1 0 308.447 2.421 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCn2cccn2)C1 ZINC000109133138 281673828 /nfs/dbraw/zinc/67/38/28/281673828.db2.gz ARHRXGDSNJUUBI-CQSZACIVSA-N 1 0 308.426 2.120 10 0 DEAERO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc(C)n(C)n2)cc1 ZINC000262109902 288569486 /nfs/dbraw/zinc/56/94/86/288569486.db2.gz ZWMIKOYREOQPIX-QGZVFWFLSA-N 1 0 312.417 2.078 10 0 DEAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000122668591 289081214 /nfs/dbraw/zinc/08/12/14/289081214.db2.gz BOHJAVLQDGOKHA-CFAJVAMVSA-N 1 0 302.418 2.492 10 0 DEAERO CN1C(=O)C[C@H]([NH2+]C2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000090968719 289841308 /nfs/dbraw/zinc/84/13/08/289841308.db2.gz KSXRWEXNXLDGCC-GOEBONIOSA-N 1 0 308.809 2.380 10 0 DEAERO C[C@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccc(NC(N)=O)cc1 ZINC000261940105 289916956 /nfs/dbraw/zinc/91/69/56/289916956.db2.gz UQRYFRZENVLDJM-SMDDNHRTSA-N 1 0 318.421 2.133 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C1CCCCCC1 ZINC000346636041 289976815 /nfs/dbraw/zinc/97/68/15/289976815.db2.gz NZCJKOUDLWRNDS-UONOGXRCSA-N 1 0 302.484 2.216 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NC2CCC(O)CC2)[C@H]1c1ccccc1 ZINC000245658818 290138177 /nfs/dbraw/zinc/13/81/77/290138177.db2.gz OZXHLKWIQKYJKB-BHUNQDJPSA-N 1 0 317.433 2.035 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000168309209 293725679 /nfs/dbraw/zinc/72/56/79/293725679.db2.gz OSMFDIAQFYVHGN-KKUMJFAQSA-N 1 0 304.438 2.218 10 0 DEAERO [NH3+]CC1CCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000237808044 295224497 /nfs/dbraw/zinc/22/44/97/295224497.db2.gz BVWDYNWPQFLYBA-DLBZAZTESA-N 1 0 302.418 2.352 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)N1CCOCC1)CCCO2 ZINC000123246980 295271803 /nfs/dbraw/zinc/27/18/03/295271803.db2.gz NQMLQVLNQYBAMZ-YOEHRIQHSA-N 1 0 320.433 2.219 10 0 DEAERO COc1ncccc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107529981 295461938 /nfs/dbraw/zinc/46/19/38/295461938.db2.gz IUJRFQFSHDFWDY-AWEZNQCLSA-N 1 0 303.406 2.181 10 0 DEAERO C[C@H](NC(=O)C1(C[NH3+])CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000261653190 299031498 /nfs/dbraw/zinc/03/14/98/299031498.db2.gz FNPZTSFRNWPWJC-IWUURBKTSA-N 1 0 320.477 2.463 10 0 DEAERO Cn1nccc1[C@H]1[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC(=O)N1C ZINC000329021473 303097873 /nfs/dbraw/zinc/09/78/73/303097873.db2.gz MGDGYTHAILOIBY-LUXYFRNMSA-N 1 0 316.449 2.250 10 0 DEAERO NC(=O)NC(=O)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000181045431 303271303 /nfs/dbraw/zinc/27/13/03/303271303.db2.gz BLMLIVBFOWFXLL-AWEZNQCLSA-N 1 0 309.797 2.356 10 0 DEAERO O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)N1CCC([NH+]2CCCC2)CC1 ZINC000122118115 303863034 /nfs/dbraw/zinc/86/30/34/303863034.db2.gz UNQBUOXSUPDBJA-BRWVUGGUSA-N 1 0 321.465 2.214 10 0 DEAERO c1cn(-c2ccccc2)c(CN2CC[NH2+]C[C@H]2c2cccnc2)n1 ZINC000262012383 304859505 /nfs/dbraw/zinc/85/95/05/304859505.db2.gz VEUPXMAVGGOMAK-SFHVURJKSA-N 1 0 319.412 2.414 10 0 DEAERO CC/C=C\CC[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000342234942 325803945 /nfs/dbraw/zinc/80/39/45/325803945.db2.gz SPQKAZZIIIRJBR-YIEVGGLXSA-N 1 0 307.482 2.408 10 0 DEAERO CO[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(O)cc1 ZINC000576413065 326292573 /nfs/dbraw/zinc/29/25/73/326292573.db2.gz AJLRSPOGWRTKQI-KRWDZBQOSA-N 1 0 318.417 2.070 10 0 DEAERO C[C@@H](CCNC(=O)NCCOCC1CCC1)[NH+]1CCCCC1 ZINC000576516027 326299236 /nfs/dbraw/zinc/29/92/36/326299236.db2.gz KOFGFLZQJYLJTL-HNNXBMFYSA-N 1 0 311.470 2.367 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000187837183 332989893 /nfs/dbraw/zinc/98/98/93/332989893.db2.gz CXGLJGYMXHJFGE-HIFRSBDPSA-N 1 0 312.479 2.302 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C(=O)OC)cc2F)C1 ZINC000580231129 333037580 /nfs/dbraw/zinc/03/75/80/333037580.db2.gz RKULEIOTQJFAPQ-LLVKDONJSA-N 1 0 323.368 2.076 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CC3(CCCC3)OC(C)(C)C2)C1 ZINC000188184763 333038711 /nfs/dbraw/zinc/03/87/11/333038711.db2.gz DCHPLLOIFQJTBO-HNNXBMFYSA-N 1 0 323.481 2.461 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000189042692 333061423 /nfs/dbraw/zinc/06/14/23/333061423.db2.gz MBDQKPLGBKXBQB-CQSZACIVSA-N 1 0 300.805 2.368 10 0 DEAERO COc1ccc2[nH]c(C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2c1 ZINC000189263969 333067463 /nfs/dbraw/zinc/06/74/63/333067463.db2.gz IMODOZUOHGJAQT-LBPRGKRZSA-N 1 0 301.390 2.248 10 0 DEAERO COC[C@@H](C)C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000189592823 333151118 /nfs/dbraw/zinc/15/11/18/333151118.db2.gz SYBYXXYXUAPTPS-ZDUSSCGKSA-N 1 0 303.406 2.249 10 0 DEAERO CO[C@H]1CC[C@H](NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000582084528 333205513 /nfs/dbraw/zinc/20/55/13/333205513.db2.gz UWWIXJYWSLHHAG-PVAVHDDUSA-N 1 0 319.449 2.374 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000189968981 336229213 /nfs/dbraw/zinc/22/92/13/336229213.db2.gz HETLEZAEHIUGEM-ZDUSSCGKSA-N 1 0 320.437 2.182 10 0 DEAERO CC1(C(=O)NCc2ccccc2OCc2ccccc2)C[NH2+]C1 ZINC000399158398 337314052 /nfs/dbraw/zinc/31/40/52/337314052.db2.gz JYHJRCJDJBDDFP-UHFFFAOYSA-N 1 0 310.397 2.491 10 0 DEAERO [NH3+]CCCNC(=O)CCCOc1ccc(C=O)c2ccccc12 ZINC000584600181 337370695 /nfs/dbraw/zinc/37/06/95/337370695.db2.gz RRWTWRUVNZJVRB-UHFFFAOYSA-N 1 0 314.385 2.276 10 0 DEAERO CCOC(=O)CC[NH2+][C@@H](CCc1ccccc1)CC(=O)OCC ZINC000584595889 337374076 /nfs/dbraw/zinc/37/40/76/337374076.db2.gz IMZDPGDSIVIBAO-INIZCTEOSA-N 1 0 321.417 2.484 10 0 DEAERO Cn1cc(-c2cc3c([nH]2)c(C(N)=O)ccc3[C@@H]2CCC[NH2+]C2)cn1 ZINC000584619675 337374569 /nfs/dbraw/zinc/37/45/69/337374569.db2.gz YKMYELXGLDQZTB-LLVKDONJSA-N 1 0 323.400 2.134 10 0 DEAERO CCC[C@@H](CCO)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119118165 500668998 /nfs/dbraw/zinc/66/89/98/500668998.db2.gz WRYZKMFDFNKCRW-FHERZECASA-N 1 0 313.486 2.205 10 0 DEAERO COc1ccc(O)cc1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000188878930 534211263 /nfs/dbraw/zinc/21/12/63/534211263.db2.gz WKKUQBGGODEDAI-CYBMUJFWSA-N 1 0 306.406 2.251 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)C1CCC(C(F)(F)F)CC1 ZINC000444754562 534343391 /nfs/dbraw/zinc/34/33/91/534343391.db2.gz TZPIXOWFCMKYPY-UHFFFAOYSA-N 1 0 315.339 2.400 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000365973832 519451258 /nfs/dbraw/zinc/45/12/58/519451258.db2.gz FPGXYZIYMDVQJD-WBVHZDCISA-N 1 0 315.417 2.026 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCc2ccccc2F)C1 ZINC000156191828 519692489 /nfs/dbraw/zinc/69/24/89/519692489.db2.gz RMKIYDHEVQNBAP-CJNGLKHVSA-N 1 0 307.413 2.396 10 0 DEAERO Cc1ccc2cc(C[NH2+]C[C@@]3(CCO)CCOC3)ccc2n1 ZINC000189384406 534468235 /nfs/dbraw/zinc/46/82/35/534468235.db2.gz GWPCPPSVXXDMRL-GOSISDBHSA-N 1 0 300.402 2.422 10 0 DEAERO CCC[C@@H](C(=O)Nc1cc(F)cc(N2CCOCC2)c1)[NH+](C)C ZINC000128079129 520597147 /nfs/dbraw/zinc/59/71/47/520597147.db2.gz NCLKPNAFXHITJW-INIZCTEOSA-N 1 0 323.412 2.331 10 0 DEAERO CCN1CC[NH+](CCCCNC(=O)N2CCCC23CCC3)CC1 ZINC000365670360 521678949 /nfs/dbraw/zinc/67/89/49/521678949.db2.gz RZCVVUHCYQRGLI-UHFFFAOYSA-N 1 0 322.497 2.132 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2nccs2)[C@H](C)C1 ZINC000128800254 521712260 /nfs/dbraw/zinc/71/22/60/521712260.db2.gz DCWLWUWXSVFLHD-CHWSQXEVSA-N 1 0 310.467 2.057 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCC(C)(C)CO ZINC000130404339 522091673 /nfs/dbraw/zinc/09/16/73/522091673.db2.gz OASVKPIVMHEUQJ-MRXNPFEDSA-N 1 0 306.450 2.074 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)C1 ZINC000247309090 522383095 /nfs/dbraw/zinc/38/30/95/522383095.db2.gz QOMCOOMIHSZPHO-MAZHCROVSA-N 1 0 315.417 2.105 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)[C@H](C)c1ccccc1 ZINC000111866013 523831959 /nfs/dbraw/zinc/83/19/59/523831959.db2.gz BPTQFANMFQTAGB-WBVHZDCISA-N 1 0 319.449 2.500 10 0 DEAERO COc1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000124463090 523888802 /nfs/dbraw/zinc/88/88/02/523888802.db2.gz UNPSMMQOFIZVJS-TZMCWYRMSA-N 1 0 308.397 2.318 10 0 DEAERO C[C@H]1OCC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000134449513 525048967 /nfs/dbraw/zinc/04/89/67/525048967.db2.gz VUPSDVOZLFOSEV-RHSMWYFYSA-N 1 0 317.433 2.259 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000155923458 525302772 /nfs/dbraw/zinc/30/27/72/525302772.db2.gz JQQODBZDLUPSLS-TUAOUCFPSA-N 1 0 312.360 2.251 10 0 DEAERO Cc1ccc(OCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000246853791 525421594 /nfs/dbraw/zinc/42/15/94/525421594.db2.gz UBKIZCCZDTWFGV-UAGQMJEPSA-N 1 0 302.418 2.411 10 0 DEAERO C[C@@H](c1nnc(-c2ccccc2)o1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247007724 526184750 /nfs/dbraw/zinc/18/47/50/526184750.db2.gz BXTDLSHCCGDIOU-ZFWWWQNUSA-N 1 0 316.405 2.060 10 0 DEAERO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1-c1ccccc1 ZINC000237860385 526264820 /nfs/dbraw/zinc/26/48/20/526264820.db2.gz OFAXWKPVBUCCKA-YIONKMFJSA-N 1 0 310.401 2.194 10 0 DEAERO Fc1cccc(OCC[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105884085 526396488 /nfs/dbraw/zinc/39/64/88/526396488.db2.gz MOHUMIIBVZTXHI-AWEZNQCLSA-N 1 0 304.369 2.208 10 0 DEAERO Fc1cccc(OCC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105884088 526396571 /nfs/dbraw/zinc/39/65/71/526396571.db2.gz MOHUMIIBVZTXHI-CQSZACIVSA-N 1 0 304.369 2.208 10 0 DEAERO CC(=O)N(C[C@@H]1CCC[N@@H+]1CCCn1ccnc1C)C1CC1 ZINC000328621375 526494188 /nfs/dbraw/zinc/49/41/88/526494188.db2.gz AJRQTISBGUWXGS-KRWDZBQOSA-N 1 0 304.438 2.057 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(O)cc2O)[C@H]1c1ccccc1 ZINC000248406032 536458058 /nfs/dbraw/zinc/45/80/58/536458058.db2.gz BNXDMQMWDXVTRA-NVXWUHKLSA-N 1 0 312.369 2.273 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000252657139 536473172 /nfs/dbraw/zinc/47/31/72/536473172.db2.gz IUQFFBPAIKRDIY-GABYWQGASA-N 1 0 320.458 2.403 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCCc2nc3c(s2)CCCC3)C1 ZINC000155447081 527365910 /nfs/dbraw/zinc/36/59/10/527365910.db2.gz RYEQEWZGWFFMFC-VXGBXAGGSA-N 1 0 307.463 2.198 10 0 DEAERO Cn1nccc1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000163422344 527594432 /nfs/dbraw/zinc/59/44/32/527594432.db2.gz PVIQPWAGEUERJA-SFHVURJKSA-N 1 0 312.417 2.205 10 0 DEAERO CCOC1(C)CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000298182266 528449307 /nfs/dbraw/zinc/44/93/07/528449307.db2.gz AANVYRJIQNMLIW-QGZVFWFLSA-N 1 0 307.434 2.455 10 0 DEAERO CC(C)[N@H+](C)CC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000189406178 528812282 /nfs/dbraw/zinc/81/22/82/528812282.db2.gz UFDIDNAXKOWCNN-UHFFFAOYSA-N 1 0 323.868 2.155 10 0 DEAERO CC(C)n1cc2c(n1)C[C@H](NC(=O)CCC1CC[NH2+]CC1)CC2 ZINC000262950638 535074825 /nfs/dbraw/zinc/07/48/25/535074825.db2.gz JNRZQFZGTPIODU-MRXNPFEDSA-N 1 0 318.465 2.217 10 0 DEAERO CCC(CC)[C@@H]1C[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000183745590 535127467 /nfs/dbraw/zinc/12/74/67/535127467.db2.gz XAWPCHHSLIJACJ-ZACQAIPSSA-N 1 0 323.481 2.460 10 0 DEAERO CCCNC(=O)c1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)cc1Cl ZINC000262302961 535135321 /nfs/dbraw/zinc/13/53/21/535135321.db2.gz BBFNHFAFSSOGTH-SNVBAGLBSA-N 1 0 323.824 2.274 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000262588282 535256138 /nfs/dbraw/zinc/25/61/38/535256138.db2.gz PYUNNSMUVZWQPC-HNNXBMFYSA-N 1 0 318.417 2.307 10 0 DEAERO CCCc1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n(C)n1 ZINC000246403727 535406624 /nfs/dbraw/zinc/40/66/24/535406624.db2.gz LXSLGFQBCSCCRZ-TZMCWYRMSA-N 1 0 305.426 2.073 10 0 DEAERO CCO[C@@H]1C[C@@](N)(c2nc(-c3ccc(C[NH3+])cc3)no2)C1(C)C ZINC000262070029 535441461 /nfs/dbraw/zinc/44/14/61/535441461.db2.gz RYXPVCVNYWXSEK-CXAGYDPISA-N 1 0 316.405 2.184 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NCC2(OC)CCCC2)CC1 ZINC000454656762 535448233 /nfs/dbraw/zinc/44/82/33/535448233.db2.gz PPAPDMGYZHCZQC-UHFFFAOYSA-N 1 0 311.470 2.367 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2ccc(NC(N)=O)cc2)CC1 ZINC000359494462 535450905 /nfs/dbraw/zinc/45/09/05/535450905.db2.gz ORQMNPROWGKCMJ-UHFFFAOYSA-N 1 0 318.421 2.029 10 0 DEAERO CC[NH+](CC)CCCN1CCC(N(C)c2cccnn2)CC1 ZINC000191588236 535509164 /nfs/dbraw/zinc/50/91/64/535509164.db2.gz IDSBYZZUQXIVFG-UHFFFAOYSA-N 1 0 305.470 2.109 10 0 DEAERO CCCc1nc(CN2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)cs1 ZINC000246646876 535525513 /nfs/dbraw/zinc/52/55/13/535525513.db2.gz AZXVQWQUSHESHW-ZFWWWQNUSA-N 1 0 311.495 2.373 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372392137 535567943 /nfs/dbraw/zinc/56/79/43/535567943.db2.gz ACEUEJVKIHUMDQ-UONOGXRCSA-N 1 0 318.465 2.239 10 0 DEAERO CCC[C@H]1C[N@H+](C[C@H](O)CC2CCCC2)CCN1CCOC ZINC000191028691 535741139 /nfs/dbraw/zinc/74/11/39/535741139.db2.gz FCLFRYXIIUMALN-ZWKOTPCHSA-N 1 0 312.498 2.360 10 0 DEAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457886847 535852008 /nfs/dbraw/zinc/85/20/08/535852008.db2.gz 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CCOC(=O)CC[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000173347978 646765932 /nfs/dbraw/zinc/76/59/32/646765932.db2.gz RQSVBOYECQTZON-QWHCGFSZSA-N 1 0 314.426 2.223 10 0 DEAERO O[C@@]1(Cc2nc(C3CC3)no2)CCC[N@H+](Cc2ccco2)C1 ZINC000818184650 647429423 /nfs/dbraw/zinc/42/94/23/647429423.db2.gz JOXNYQXWFCHRNG-MRXNPFEDSA-N 1 0 303.362 2.110 10 0 DEAERO COCC[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)c2cccc(F)c2)C1 ZINC000732080108 647539549 /nfs/dbraw/zinc/53/95/49/647539549.db2.gz VVQXGRKGCXHNIF-IFCKCIONSA-N 1 0 320.408 2.456 10 0 DEAERO CN(C)c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc(Cl)n1 ZINC000733096155 647865160 /nfs/dbraw/zinc/86/51/60/647865160.db2.gz SDDZLDOTKUJELK-CHWSQXEVSA-N 1 0 322.840 2.158 10 0 DEAERO CN(C)c1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc(Cl)n1 ZINC000733153438 647892178 /nfs/dbraw/zinc/89/21/78/647892178.db2.gz XFXUKKQEHKWBQX-ZDUSSCGKSA-N 1 0 322.840 2.015 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NNc2cc[nH+]cc2)c1 ZINC000180517526 648497295 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CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cc(F)cc(F)c2)C1 ZINC000073187559 649659626 /nfs/dbraw/zinc/65/96/26/649659626.db2.gz SNWMDJCKJYTVAS-HNNXBMFYSA-N 1 0 313.344 2.478 10 0 DEAERO COCc1cccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000073192038 649660464 /nfs/dbraw/zinc/66/04/64/649660464.db2.gz RBPRHRYDSMCBGN-KRWDZBQOSA-N 1 0 321.417 2.347 10 0 DEAERO COCC[N@@H+]1CCN(C[C@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000105833537 651223144 /nfs/dbraw/zinc/22/31/44/651223144.db2.gz LXTZCJWHGDBUEX-BBRMVZONSA-N 1 0 312.841 2.026 10 0 DEAERO CCOCC[N@@H+]1CCN(CCOc2ccccc2C)C[C@@H]1C ZINC000105914312 651242908 /nfs/dbraw/zinc/24/29/08/651242908.db2.gz HHMGECIRMBFBJT-KRWDZBQOSA-N 1 0 306.450 2.416 10 0 DEAERO O=S(=O)(/C=C/c1ccc(Cl)cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000110797264 652440741 /nfs/dbraw/zinc/44/07/41/652440741.db2.gz VITNTBZTPGEKPA-RSPDNQDQSA-N 1 0 314.838 2.230 10 0 DEAERO OCC1(C[NH2+]Cc2nc(Br)c[nH]2)CCCCC1 ZINC000379758476 685394668 /nfs/dbraw/zinc/39/46/68/685394668.db2.gz AHNUNVUZKLZBCF-UHFFFAOYSA-N 1 0 302.216 2.205 10 0 DEAERO CC(C)S(=O)(=O)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000380756818 685397864 /nfs/dbraw/zinc/39/78/64/685397864.db2.gz NOHBWCNWGJAPOD-AWEZNQCLSA-N 1 0 303.468 2.281 10 0 DEAERO COCC[C@H](COC)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000382061955 685403157 /nfs/dbraw/zinc/40/31/57/685403157.db2.gz PVOBOCIWJXGAEV-NXHRZFHOSA-N 1 0 306.450 2.291 10 0 DEAERO C[C@@H](CCC[NH3+])NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000388325304 685427573 /nfs/dbraw/zinc/42/75/73/685427573.db2.gz JUTMPOQJAYHVCM-UQSGXBNBSA-N 1 0 302.827 2.358 10 0 DEAERO C[C@H](CCC[NH3+])NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000388325301 685428172 /nfs/dbraw/zinc/42/81/72/685428172.db2.gz JUTMPOQJAYHVCM-HIJJYWJESA-N 1 0 302.827 2.358 10 0 DEAERO CN(c1cnc(CO)cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388943746 685431340 /nfs/dbraw/zinc/43/13/40/685431340.db2.gz XWXRDDYEEBEJSQ-KRWDZBQOSA-N 1 0 312.417 2.070 10 0 DEAERO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390920344 685442617 /nfs/dbraw/zinc/44/26/17/685442617.db2.gz WXKMEMZSFYQPTD-CEXWTWQISA-N 1 0 318.461 2.435 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000391017314 685444002 /nfs/dbraw/zinc/44/40/02/685444002.db2.gz ZBXMLPCOBRUTCY-YJBOKZPZSA-N 1 0 311.433 2.231 10 0 DEAERO C[NH+]1CCN(c2ccc(NC(=O)CSC(C)(C)C)cn2)CC1 ZINC000021131550 683859698 /nfs/dbraw/zinc/85/96/98/683859698.db2.gz DDCCCQQXKMFQDA-UHFFFAOYSA-N 1 0 322.478 2.304 10 0 DEAERO O=S(=O)(c1ccc(NC[C@H]2CCCC[NH2+]2)cc1)C(F)F ZINC000044493550 683904706 /nfs/dbraw/zinc/90/47/06/683904706.db2.gz ANZOTUSSSJDCFH-LLVKDONJSA-N 1 0 304.362 2.237 10 0 DEAERO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)NC(=O)NCc1ccco1 ZINC000049971665 683920708 /nfs/dbraw/zinc/92/07/08/683920708.db2.gz ORMSVPGIOQXYEF-HIFRSBDPSA-N 1 0 319.405 2.260 10 0 DEAERO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000084281175 684002676 /nfs/dbraw/zinc/00/26/76/684002676.db2.gz ODRKCAVUAFXWBL-MRXNPFEDSA-N 1 0 320.437 2.381 10 0 DEAERO OCCC1(C[NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000097817859 684055771 /nfs/dbraw/zinc/05/57/71/684055771.db2.gz PAIFSWMSMFPBHY-ZDUSSCGKSA-N 1 0 314.223 2.235 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)COc2cccc(C=O)c2)CC1 ZINC000120013590 684090585 /nfs/dbraw/zinc/09/05/85/684090585.db2.gz GERRRHJKFUUWJV-UHFFFAOYSA-N 1 0 318.417 2.115 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000124530777 684136124 /nfs/dbraw/zinc/13/61/24/684136124.db2.gz MGKSCLRMOJLERT-HOCLYGCPSA-N 1 0 306.431 2.021 10 0 DEAERO Cc1noc(CCC(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000133467720 684220495 /nfs/dbraw/zinc/22/04/95/684220495.db2.gz CSSRCGWXJSTTPK-OAHLLOKOSA-N 1 0 315.373 2.128 10 0 DEAERO CCOC(=O)C(C)(C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000136314655 684238810 /nfs/dbraw/zinc/23/88/10/684238810.db2.gz URWINRMQMBUIRX-HNNXBMFYSA-N 1 0 319.401 2.393 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC1(Cl)Cl ZINC000155329550 684270743 /nfs/dbraw/zinc/27/07/43/684270743.db2.gz NZYBFXSUJJOFFY-CHWSQXEVSA-N 1 0 315.244 2.469 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)Nn2cnc3ccccc32)CC1 ZINC000157688424 684295880 /nfs/dbraw/zinc/29/58/80/684295880.db2.gz ZWLSZPJMZXTUJF-UHFFFAOYSA-N 1 0 315.421 2.411 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)O[C@H]3CCO[C@H]3C)cc2)CC1 ZINC000187744562 684343054 /nfs/dbraw/zinc/34/30/54/684343054.db2.gz CYVNRSBDYDSTLG-YOEHRIQHSA-N 1 0 318.417 2.163 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)CC1CCC2(CC1)OCCO2 ZINC000188190429 684351034 /nfs/dbraw/zinc/35/10/34/684351034.db2.gz NOHZUUCZEBHXJL-CQSZACIVSA-N 1 0 312.454 2.156 10 0 DEAERO CCC(=O)CC[N@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000190252825 684400359 /nfs/dbraw/zinc/40/03/59/684400359.db2.gz FZZNOWBREXXINS-GFCCVEGCSA-N 1 0 322.371 2.478 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)NCC1(C)OCCCO1 ZINC000191136663 684421914 /nfs/dbraw/zinc/42/19/14/684421914.db2.gz HLQCENZXTLCAEE-UHFFFAOYSA-N 1 0 300.443 2.158 10 0 DEAERO Cn1c(=O)sc2cc(C[NH2+]C[C@@](C)(O)c3ccco3)ccc21 ZINC000192631361 684454243 /nfs/dbraw/zinc/45/42/43/684454243.db2.gz KWBYTJLBOHFLOL-MRXNPFEDSA-N 1 0 318.398 2.190 10 0 DEAERO CCCCCC[C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192796874 684457583 /nfs/dbraw/zinc/45/75/83/684457583.db2.gz DXGSHRKZHACKOX-JKSUJKDBSA-N 1 0 313.486 2.491 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000193249260 685036480 /nfs/dbraw/zinc/03/64/80/685036480.db2.gz IZGZNXKMKMFROK-PELKAZGASA-N 1 0 305.205 2.270 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)C[C@@H]2CCCOC2)ccc1F ZINC000193274951 685036727 /nfs/dbraw/zinc/03/67/27/685036727.db2.gz BMEWEMMDKXYDQZ-AWEZNQCLSA-N 1 0 308.397 2.320 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NN=c2cc(Cl)cc[nH]2)C1 ZINC000245520609 685113483 /nfs/dbraw/zinc/11/34/83/685113483.db2.gz JUWWGTFRAATVJJ-ZYHUDNBSSA-N 1 0 311.817 2.090 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000246750271 685135885 /nfs/dbraw/zinc/13/58/85/685135885.db2.gz PFHUPFFMRHUEJD-AEFFLSMTSA-N 1 0 314.433 2.341 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cn1ncn(C(C)(C)C)c1=S ZINC000246883560 685138153 /nfs/dbraw/zinc/13/81/53/685138153.db2.gz BDVZIGWXQUIKMV-OLZOCXBDSA-N 1 0 309.483 2.295 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1cnc2cc(F)c(F)cc21 ZINC000246895270 685138626 /nfs/dbraw/zinc/13/86/26/685138626.db2.gz BVOBTBRCBMQGPN-RYUDHWBXSA-N 1 0 306.360 2.441 10 0 DEAERO COCC[N@@H+]1CCN(Cn2cnc3cc(C)c(C)cc32)C[C@@H]1C ZINC000247255092 685144894 /nfs/dbraw/zinc/14/48/94/685144894.db2.gz YAUNQGZFUKBEDT-INIZCTEOSA-N 1 0 316.449 2.263 10 0 DEAERO CC[NH+](CC)CCCN1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000249139305 685175543 /nfs/dbraw/zinc/17/55/43/685175543.db2.gz ZDAMZHXMVGCRLF-HZPDHXFCSA-N 1 0 310.438 2.136 10 0 DEAERO CC(=O)N1C[C@H]([NH2+]C2CC(OC(C)C)C2)CC[C@H]1C(F)(F)F ZINC000886052232 691993233 /nfs/dbraw/zinc/99/32/33/691993233.db2.gz BBPCNONYXDKXAK-RYSNWHEDSA-N 1 0 322.371 2.474 10 0 DEAERO O[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)[C@H]1n1cccn1 ZINC000886096794 692002629 /nfs/dbraw/zinc/00/26/29/692002629.db2.gz FVVCVAWOWAGXJQ-YLFCFFPRSA-N 1 0 301.365 2.437 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CSCCS1 ZINC000176415201 782375358 /nfs/dbraw/zinc/37/53/58/782375358.db2.gz RTCZTECHSUCUIN-QWHCGFSZSA-N 1 0 319.540 2.111 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399148027 790325280 /nfs/dbraw/zinc/32/52/80/790325280.db2.gz XVFGZTOLYFUOIS-AGIUHOORSA-N 1 0 316.442 2.371 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000722593522 776537119 /nfs/dbraw/zinc/53/71/19/776537119.db2.gz BHXXOKUGOGEWGX-ZANVPECISA-N 1 0 316.492 2.279 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1C ZINC000722600915 776579131 /nfs/dbraw/zinc/57/91/31/776579131.db2.gz ODUVWQRKQMQHIN-GWCFXTLKSA-N 1 0 316.492 2.340 10 0 DEAERO CN1C[C@@H](CC[NH2+]Cc2ccsc2Br)CC1=O ZINC000723547032 777121444 /nfs/dbraw/zinc/12/14/44/777121444.db2.gz CBUQYYSSQKKDLQ-VIFPVBQESA-N 1 0 317.252 2.469 10 0 DEAERO Cc1cn(C)nc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000723502003 777114728 /nfs/dbraw/zinc/11/47/28/777114728.db2.gz XTDNIIJSTWCLPX-ZIAGYGMSSA-N 1 0 322.453 2.464 10 0 DEAERO C[C@@H]1CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C[C@H](C)O1 ZINC000724084018 777237616 /nfs/dbraw/zinc/23/76/16/777237616.db2.gz AGMQUXSGJYFSRB-KXUCPTDWSA-N 1 0 305.287 2.434 10 0 DEAERO [NH3+]C[C@@H](NS(=O)(=O)/C=C\c1ccc(F)cc1)C1CCCC1 ZINC000588599690 777576590 /nfs/dbraw/zinc/57/65/90/777576590.db2.gz UMGBNMZSNWJHAC-FJVVXJACSA-N 1 0 312.410 2.233 10 0 DEAERO Cn1nc(Br)cc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000725065648 777576690 /nfs/dbraw/zinc/57/66/90/777576690.db2.gz SXGFGVNIUBVAAF-GFCCVEGCSA-N 1 0 316.243 2.213 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000725113431 777588137 /nfs/dbraw/zinc/58/81/37/777588137.db2.gz LFECCDSTKZRJJG-PWSUYJOCSA-N 1 0 302.465 2.113 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000725115493 777589056 /nfs/dbraw/zinc/58/90/56/777589056.db2.gz URSLWFOVCBPORT-PWSUYJOCSA-N 1 0 302.465 2.255 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000725115490 777589101 /nfs/dbraw/zinc/58/91/01/777589101.db2.gz URSLWFOVCBPORT-JQWIXIFHSA-N 1 0 302.465 2.255 10 0 DEAERO C[NH2+]CCC1CCN(S(=O)(=O)c2c(C)csc2C)CC1 ZINC000725119198 777589886 /nfs/dbraw/zinc/58/98/86/777589886.db2.gz PNIJTKJEYXSENR-UHFFFAOYSA-N 1 0 316.492 2.375 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000725119606 777590248 /nfs/dbraw/zinc/59/02/48/777590248.db2.gz YERGVOZIQWFEQH-FUNVUKJBSA-N 1 0 314.476 2.268 10 0 DEAERO CC[C@H]1c2ccsc2CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000722227407 778510612 /nfs/dbraw/zinc/51/06/12/778510612.db2.gz AWHUSVVQEGKBPV-AAEUAGOBSA-N 1 0 314.476 2.139 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000722268319 778556156 /nfs/dbraw/zinc/55/61/56/778556156.db2.gz XSBOXVPZZWEAIH-TUVASFSCSA-N 1 0 311.470 2.362 10 0 DEAERO COC[C@H](C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)C(C)C ZINC000721729150 781856743 /nfs/dbraw/zinc/85/67/43/781856743.db2.gz VOGNPQZIUFOTCD-RBUKOAKNSA-N 1 0 320.477 2.132 10 0 DEAERO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1Br ZINC000712313182 784814161 /nfs/dbraw/zinc/81/41/61/784814161.db2.gz HIOFWMDPWYWNDW-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO Cc1ccc([C@H](CNC(=O)N(C)CC2CC(O)C2)[NH+](C)C)cc1 ZINC000190404196 786403212 /nfs/dbraw/zinc/40/32/12/786403212.db2.gz WDICZNPJBWVXQK-PREGVCBESA-N 1 0 319.449 2.010 10 0 DEAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1cnc2n1CCOC2 ZINC000722837855 787338414 /nfs/dbraw/zinc/33/84/14/787338414.db2.gz RHPDYFPHQFOPIA-HNNXBMFYSA-N 1 0 314.433 2.023 10 0 DEAERO C[C@@](O)(C[NH2+]C[C@H]1CC(C)(C)CO1)C(F)(F)C(F)(F)F ZINC000724075757 787348671 /nfs/dbraw/zinc/34/86/71/787348671.db2.gz XLGQBRQUGQNCAO-PSASIEDQSA-N 1 0 305.287 2.340 10 0 DEAERO CC(C)(O)C(C)(C)C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724113363 787349890 /nfs/dbraw/zinc/34/98/90/787349890.db2.gz BMISWWRLUXWAHK-SNVBAGLBSA-N 1 0 307.303 2.322 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CC23CC(O)C3)C1(C)C ZINC000724912032 787354311 /nfs/dbraw/zinc/35/43/11/787354311.db2.gz HDGFKDHJCADKSA-DTNUGXKXSA-N 1 0 310.438 2.181 10 0 DEAERO CC1(C)C[C@H]([NH2+]C2CN(C(=O)OCc3ccccc3)C2)CO1 ZINC000397333839 790175911 /nfs/dbraw/zinc/17/59/11/790175911.db2.gz SBYGZSUPXSERSG-AWEZNQCLSA-N 1 0 304.390 2.165 10 0 DEAERO O=C(OCc1ccccc1)N1CC([NH2+][C@@H]2CCCSC2)C1 ZINC000397344974 790177058 /nfs/dbraw/zinc/17/70/58/790177058.db2.gz GBZFGLIJDHPZRV-CQSZACIVSA-N 1 0 306.431 2.493 10 0 DEAERO Cn1cc(C[NH2+]CC[C@H]2CCSC2)c(Br)n1 ZINC000712499443 792190742 /nfs/dbraw/zinc/19/07/42/792190742.db2.gz YYUMZUQWUGEWSO-VIFPVBQESA-N 1 0 304.257 2.415 10 0 DEAERO CCC[C@@]1([NH2+]Cc2cn(C)nc2Br)CCOC1 ZINC000712491954 792190756 /nfs/dbraw/zinc/19/07/56/792190756.db2.gz SYPGTATWEPQQRU-GFCCVEGCSA-N 1 0 302.216 2.231 10 0 DEAERO CN1CC[C@@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000712594187 792191880 /nfs/dbraw/zinc/19/18/80/792191880.db2.gz GWYIOEXTDJRFEH-MNOVXSKESA-N 1 0 319.232 2.027 10 0 DEAERO COCC1CC([NH2+]Cc2snc(OC)c2Br)C1 ZINC000713996144 792266430 /nfs/dbraw/zinc/26/64/30/792266430.db2.gz QIIYDHQODHCQLS-UHFFFAOYSA-N 1 0 321.240 2.429 10 0 DEAERO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1ccc(F)c(F)c1F ZINC000714347436 792310541 /nfs/dbraw/zinc/31/05/41/792310541.db2.gz KLVDGGAXGRVHNU-SNVBAGLBSA-N 1 0 307.337 2.161 10 0 DEAERO COc1cccc(/C(C)=C\C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000751362853 792339826 /nfs/dbraw/zinc/33/98/26/792339826.db2.gz LVCQJHSRNHAOTK-WVUXNXBLSA-N 1 0 300.402 2.451 10 0 DEAERO CCOC(CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)OCC ZINC000715714912 792508119 /nfs/dbraw/zinc/50/81/19/792508119.db2.gz ZJPIRAZBOIGVLK-MRXNPFEDSA-N 1 0 320.433 2.166 10 0 DEAERO Nc1c(Cl)cc(C(=O)NC23CC[NH+](CC2)C3)cc1Cl ZINC000715846923 792525968 /nfs/dbraw/zinc/52/59/68/792525968.db2.gz FUWWFSPLVYDEBO-UHFFFAOYSA-N 1 0 300.189 2.154 10 0 DEAERO CCc1nnc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)s1 ZINC000716219606 792942746 /nfs/dbraw/zinc/94/27/46/792942746.db2.gz DCKCEFWTNCFKHL-CQSZACIVSA-N 1 0 302.447 2.465 10 0 DEAERO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000716444729 792959521 /nfs/dbraw/zinc/95/95/21/792959521.db2.gz ANZPCKNUOLRHEU-STQMWFEESA-N 1 0 308.426 2.453 10 0 DEAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC(C(N)=O)C1 ZINC000716755170 793005154 /nfs/dbraw/zinc/00/51/54/793005154.db2.gz LIHPUTXKPWOOLE-CBZQXFMTSA-N 1 0 311.223 2.234 10 0 DEAERO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716855193 793009679 /nfs/dbraw/zinc/00/96/79/793009679.db2.gz VSEXBKDUAXMCBR-MBNYWOFBSA-N 1 0 300.443 2.381 10 0 DEAERO c1nn(-c2ccccc2)cc1C[NH2+]CCOC[C@H]1CCOC1 ZINC000068993841 795087494 /nfs/dbraw/zinc/08/74/94/795087494.db2.gz RMLQWCHPFJEXHA-HNNXBMFYSA-N 1 0 301.390 2.015 10 0 DEAERO [NH3+][C@@H]1CN(c2nnc(C(F)(F)F)s2)CC[C@H]1C(F)(F)F ZINC000717095353 799195032 /nfs/dbraw/zinc/19/50/32/799195032.db2.gz RLKHYBYTOHNAQL-RFZPGFLSSA-N 1 0 320.262 2.273 10 0 DEAERO [NH3+][C@H]1CN(CCCOCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000717152395 799256675 /nfs/dbraw/zinc/25/66/75/799256675.db2.gz RBLUMKNMJWUTPY-BDAKNGLRSA-N 1 0 308.266 2.167 10 0 DEAERO [NH3+][C@H]1CN(CCOCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000717162820 799257539 /nfs/dbraw/zinc/25/75/39/799257539.db2.gz QXKVYAJQGRWHCA-KGLIPLIRSA-N 1 0 302.340 2.415 10 0 DEAERO CC[NH+](CC)CCCOC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000800184519 799332614 /nfs/dbraw/zinc/33/26/14/799332614.db2.gz SOAZGXQLQKMXEJ-UHFFFAOYSA-N 1 0 316.405 2.220 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401848060 801854432 /nfs/dbraw/zinc/85/44/32/801854432.db2.gz RGOOYOUYTRVYIF-ZIAGYGMSSA-N 1 0 312.454 2.384 10 0 DEAERO CC[C@H]([NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)[C@@H](C)O ZINC000401873105 801855798 /nfs/dbraw/zinc/85/57/98/801855798.db2.gz LXNWYRSAEXSBMT-SYQHCUMBSA-N 1 0 300.443 2.381 10 0 DEAERO Cc1nnc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)[nH]1 ZINC000404801586 802032231 /nfs/dbraw/zinc/03/22/31/802032231.db2.gz KHIPJTKWDFNXQT-DLOVCJGASA-N 1 0 323.441 2.456 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CC2(CCO)CC2)C1(C)C ZINC000404906440 802035078 /nfs/dbraw/zinc/03/50/78/802035078.db2.gz RYRRTMKMUCKWPJ-OLZOCXBDSA-N 1 0 312.454 2.430 10 0 DEAERO COc1ccc(CC[NH2+]Cc2c(C)nn(C)c2C)cc1OC ZINC000017310893 1078160582 /nfs/dbraw/zinc/16/05/82/1078160582.db2.gz PMOPWYYIYBUTEY-UHFFFAOYSA-N 1 0 303.406 2.386 10 0 DEAERO CCN(C)CC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000049938270 1078456377 /nfs/dbraw/zinc/45/63/77/1078456377.db2.gz FIDNSGOMHADQPY-UHFFFAOYSA-N 1 0 301.228 2.499 10 0 DEAERO C=CCOc1ccc(C[NH2+]CCS(=O)(=O)CC)cc1Cl ZINC000069172763 1079953728 /nfs/dbraw/zinc/95/37/28/1079953728.db2.gz CFDHHNNRLPOREY-UHFFFAOYSA-N 1 0 317.838 2.429 10 0 DEAERO CCCC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717919753 1081760192 /nfs/dbraw/zinc/76/01/92/1081760192.db2.gz QBLVYSIXMOOVIA-UHFFFAOYSA-N 1 0 304.434 2.320 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089091985 1081899176 /nfs/dbraw/zinc/89/91/76/1081899176.db2.gz QDJOIJLMHZFAKE-ZYHUDNBSSA-N 1 0 302.827 2.054 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000721936544 1084581024 /nfs/dbraw/zinc/58/10/24/1084581024.db2.gz BVCMKZJFBGYOIE-HGTKMLMNSA-N 1 0 323.481 2.457 10 0 DEAERO CN(Cc1ccccc1Br)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000720967237 1085192340 /nfs/dbraw/zinc/19/23/40/1085192340.db2.gz RBROWTQTJVKFAT-MBNYWOFBSA-N 1 0 323.234 2.263 10 0 DEAERO Cn1cc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)c(Br)n1 ZINC000720674902 1085846502 /nfs/dbraw/zinc/84/65/02/1085846502.db2.gz SFUGHXHFBHWWNY-STQMWFEESA-N 1 0 321.222 2.417 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cncc(Br)c1 ZINC000720819103 1086169213 /nfs/dbraw/zinc/16/92/13/1086169213.db2.gz YHHUWJOIPWKRBH-QWHCGFSZSA-N 1 0 324.222 2.153 10 0 DEAERO O=C(c1ccc(Br)cn1)N1CCC([NH+]2CCC2)CC1 ZINC000700415428 1086317111 /nfs/dbraw/zinc/31/71/11/1086317111.db2.gz RTQAAZOEXIMWDV-UHFFFAOYSA-N 1 0 324.222 2.154 10 0 DEAERO O=C(c1cc(Cl)nc(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000700771156 1086334761 /nfs/dbraw/zinc/33/47/61/1086334761.db2.gz DMPNKWOUGOUPPA-AOOOYVTPSA-N 1 0 314.216 2.460 10 0 DEAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(Br)nn1C ZINC000701043507 1086347141 /nfs/dbraw/zinc/34/71/41/1086347141.db2.gz MATCLLXXDYMABT-SREGZZRCSA-N 1 0 302.216 2.084 10 0 DEAERO COC[C@H](C)OC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000704466580 1086580871 /nfs/dbraw/zinc/58/08/71/1086580871.db2.gz RYNMRBPAZBNMOR-HNNXBMFYSA-N 1 0 306.406 2.366 10 0 DEAERO CC1([NH3+])CCN(C(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000704559032 1086582693 /nfs/dbraw/zinc/58/26/93/1086582693.db2.gz XAZOMSWNHMXMEG-HWKANZROSA-N 1 0 313.195 2.395 10 0 DEAERO CC[C@@H]1[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)OC(C)(C)C ZINC000704628824 1086585647 /nfs/dbraw/zinc/58/56/47/1086585647.db2.gz IIWFPZJBFXRQDO-UONOGXRCSA-N 1 0 308.426 2.298 10 0 DEAERO CN(CCOCC[NH2+]C1CCSCC1)C(=O)OC(C)(C)C ZINC000705906143 1086628012 /nfs/dbraw/zinc/62/80/12/1086628012.db2.gz JADAXIQRZJGFGE-UHFFFAOYSA-N 1 0 318.483 2.355 10 0 DEAERO C[NH2+]CCOCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000705913848 1086629007 /nfs/dbraw/zinc/62/90/07/1086629007.db2.gz FHPHBZJXRAHPFW-LLVKDONJSA-N 1 0 316.854 2.173 10 0 DEAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1cn(C)cn1 ZINC000709934873 1086685643 /nfs/dbraw/zinc/68/56/43/1086685643.db2.gz OXSIOPDWXSUFKB-SFYCDEOASA-N 1 0 320.437 2.470 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000710908957 1086690618 /nfs/dbraw/zinc/69/06/18/1086690618.db2.gz XUCCUGMXZZARSM-CHWSQXEVSA-N 1 0 314.426 2.127 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000710947386 1086691190 /nfs/dbraw/zinc/69/11/90/1086691190.db2.gz NYFFRAPUQGLUTG-STQMWFEESA-N 1 0 316.442 2.277 10 0 DEAERO CCC(CC)[C@H](O)C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710973348 1086692693 /nfs/dbraw/zinc/69/26/93/1086692693.db2.gz ZSGVLHSSNFWYDO-CQSZACIVSA-N 1 0 300.443 2.240 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCOC(F)(F)F)C1 ZINC000711462896 1087120376 /nfs/dbraw/zinc/12/03/76/1087120376.db2.gz YCOLQSOZXRPTGP-AOOOYVTPSA-N 1 0 312.332 2.416 10 0 DEAERO O=S(=O)(N[C@@]12CCC[C@H]1[NH2+]CC2)c1ccc(F)c(Cl)c1 ZINC000711642935 1087185267 /nfs/dbraw/zinc/18/52/67/1087185267.db2.gz YGNCEFCXKWXQSO-CHWSQXEVSA-N 1 0 318.801 2.042 10 0 DEAERO O=S(=O)(N[C@H](C1CCC1)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000711868368 1087217204 /nfs/dbraw/zinc/21/72/04/1087217204.db2.gz XCLFTONCURUSOI-CABCVRRESA-N 1 0 300.468 2.017 10 0 DEAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000718350508 1088487313 /nfs/dbraw/zinc/48/73/13/1088487313.db2.gz FJZFZIFHUTWDQX-MELADBBJSA-N 1 0 314.426 2.475 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2cscc2Br)C1 ZINC000718426158 1088532973 /nfs/dbraw/zinc/53/29/73/1088532973.db2.gz PBEILPKBEPQBJN-UHFFFAOYSA-N 1 0 303.225 2.254 10 0 DEAERO CC(C)(C)S(=O)(=O)CCC[NH2+]C(C)(C)CN1CCCC1 ZINC000718678920 1088621975 /nfs/dbraw/zinc/62/19/75/1088621975.db2.gz FQFLWWGKMINVLV-UHFFFAOYSA-N 1 0 304.500 2.054 10 0 DEAERO C[C@@H]1CC[C@H](C[NH3+])N(CCCS(=O)(=O)C(C)(C)C)[C@H]1C ZINC000718737031 1088637719 /nfs/dbraw/zinc/63/77/19/1088637719.db2.gz YGSQZWJJVWDHPM-HZSPNIEDSA-N 1 0 304.500 2.038 10 0 DEAERO CO[C@@]1(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CCSC1 ZINC000719248108 1088912838 /nfs/dbraw/zinc/91/28/38/1088912838.db2.gz HYQAJGMLGBWOPD-SWLSCSKDSA-N 1 0 316.467 2.108 10 0 DEAERO CO[C@]1(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CCSC1 ZINC000719248111 1088913129 /nfs/dbraw/zinc/91/31/29/1088913129.db2.gz HYQAJGMLGBWOPD-WFASDCNBSA-N 1 0 316.467 2.108 10 0 DEAERO COC(=O)c1sccc1C[NH2+]C[C@]1(OC)CCSC1 ZINC000719255413 1088915174 /nfs/dbraw/zinc/91/51/74/1088915174.db2.gz FZFWAIPWEZGGBV-CYBMUJFWSA-N 1 0 301.433 2.146 10 0 DEAERO C[C@H]1[C@H](NC(=O)c2cc(Cl)c(N)c(Cl)c2)CC[N@@H+]1C ZINC000719391755 1089082478 /nfs/dbraw/zinc/08/24/78/1089082478.db2.gz IRFRERKUNJPENT-WRWORJQWSA-N 1 0 302.205 2.398 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CCN1C ZINC000719597135 1089317318 /nfs/dbraw/zinc/31/73/18/1089317318.db2.gz DIEYEGJVDKUYIS-DGADGQDISA-N 1 0 323.481 2.457 10 0 DEAERO COC(C)(C)[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000720236721 1089536537 /nfs/dbraw/zinc/53/65/37/1089536537.db2.gz URJKHTHCXBQTQY-NEPJUHHUSA-N 1 0 301.814 2.483 10 0 DEAERO Cc1nn(C)c(C)c1C[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720228206 1089536605 /nfs/dbraw/zinc/53/66/05/1089536605.db2.gz CYKFMFPNILCVAF-UHFFFAOYSA-N 1 0 301.259 2.298 10 0 DEAERO C[N@H+](CCNC(=O)c1cc(F)c(F)cc1N)Cc1ccccc1 ZINC000386946308 1144508984 /nfs/dbraw/zinc/50/89/84/1144508984.db2.gz WPKFKNBAILFTQB-UHFFFAOYSA-N 1 0 319.355 2.409 10 0 DEAERO C[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)C1CC1 ZINC000076940980 185058880 /nfs/dbraw/zinc/05/88/80/185058880.db2.gz WWJIJYKDWZAEPW-UHFFFAOYSA-N 1 0 302.418 2.288 10 0 DEAERO CC[NH2+][C@@H](CSCCC(=O)OC)c1ccc2c(c1)OCO2 ZINC000081790313 192324441 /nfs/dbraw/zinc/32/44/41/192324441.db2.gz VAFUJHUAPQXILW-LBPRGKRZSA-N 1 0 311.403 2.362 10 0 DEAERO CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1Sc1n[nH]c(=O)n1C ZINC000081880698 192334220 /nfs/dbraw/zinc/33/42/20/192334220.db2.gz PAIJHFBPWFPNRR-AVGNSLFASA-N 1 0 312.483 2.393 10 0 DEAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH2+]C)[C@H](Sc2n[nH]c(=O)n2C)C1 ZINC000081880619 192334348 /nfs/dbraw/zinc/33/43/48/192334348.db2.gz NWOKJKLZROGCRT-IJLUTSLNSA-N 1 0 312.483 2.393 10 0 DEAERO CC[C@H](Sc1n[nH]c(=O)n1CC)[C@@H]([NH2+]C)c1ccccc1 ZINC000081879679 192334637 /nfs/dbraw/zinc/33/46/37/192334637.db2.gz UFANOSICPOHVRG-STQMWFEESA-N 1 0 306.435 2.423 10 0 DEAERO CC[NH2+][C@@H](CSc1n[nH]c(=O)n1CC)c1ccc(C)cc1 ZINC000081880017 192334755 /nfs/dbraw/zinc/33/47/55/192334755.db2.gz PEIQDUVOVBNJRG-ZDUSSCGKSA-N 1 0 306.435 2.343 10 0 DEAERO CCc1ccc([C@@H]([NH3+])[C@H](C)Sc2n[nH]c(=O)n2CC)cc1 ZINC000081879654 192334782 /nfs/dbraw/zinc/33/47/82/192334782.db2.gz CORUQGROPHWUEW-GWCFXTLKSA-N 1 0 306.435 2.334 10 0 DEAERO CSCC[C@@H](C)N(C)S(=O)(=O)c1cc(C)c(C[NH3+])s1 ZINC000162568023 197574977 /nfs/dbraw/zinc/57/49/77/197574977.db2.gz MIPBFVPHLLMBSQ-SNVBAGLBSA-N 1 0 322.521 2.277 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1cc(C)ccc1C ZINC000081922257 192338534 /nfs/dbraw/zinc/33/85/34/192338534.db2.gz RGSIAGDBFVJNAV-HOCLYGCPSA-N 1 0 311.447 2.234 10 0 DEAERO c1ccc(CC[NH+]2CCN(CCOC3CCOCC3)CC2)cc1 ZINC000625053861 365627893 /nfs/dbraw/zinc/62/78/93/365627893.db2.gz UUSWUCJAYWXVGR-UHFFFAOYSA-N 1 0 318.461 2.042 10 0 DEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1S(=O)(=O)Cc1ccccc1 ZINC000081923648 192340506 /nfs/dbraw/zinc/34/05/06/192340506.db2.gz CHELEBMJFPLZPG-IRXDYDNUSA-N 1 0 301.411 2.487 10 0 DEAERO [NH3+]CCn1cc(-c2ccc(Cl)cc2Br)nn1 ZINC000163709962 197646000 /nfs/dbraw/zinc/64/60/00/197646000.db2.gz LDTSXWGMJXBXPU-UHFFFAOYSA-N 1 0 301.575 2.320 10 0 DEAERO C[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000081930526 192341804 /nfs/dbraw/zinc/34/18/04/192341804.db2.gz NUHQKGZXGQECRY-LSDHHAIUSA-N 1 0 311.447 2.135 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@@]1(C)CCC[C@H]1[NH3+] ZINC000164647383 197659391 /nfs/dbraw/zinc/65/93/91/197659391.db2.gz ZHGFEOONXLVILR-SKDRFNHKSA-N 1 0 300.200 2.366 10 0 DEAERO CC[C@H](C)S(=O)(=O)[C@H]1CCc2cc(OC)ccc2[C@@H]1[NH2+]C ZINC000081936461 192343352 /nfs/dbraw/zinc/34/33/52/192343352.db2.gz YFPIYLUVTNVIMT-UVBJJODRSA-N 1 0 311.447 2.484 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)CCOC)c1ccc(C)c(C)c1 ZINC000081943242 192343657 /nfs/dbraw/zinc/34/36/57/192343657.db2.gz KJXXBKYCMIYKCL-MRXNPFEDSA-N 1 0 313.463 2.405 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)CC1 ZINC000079308628 185164242 /nfs/dbraw/zinc/16/42/42/185164242.db2.gz RZIDPSFJKPJDMS-AWEZNQCLSA-N 1 0 310.463 2.487 10 0 DEAERO CC[C@@H]1CN(c2nc(CC(C)C)ns2)CC[N@@H+]1C[C@H](C)O ZINC000302311270 529402860 /nfs/dbraw/zinc/40/28/60/529402860.db2.gz SPKFAMNHONWWLJ-QWHCGFSZSA-N 1 0 312.483 2.018 10 0 DEAERO CC(C)[C@@H]1CCCN(S(=O)(=O)CCC2CC[NH2+]CC2)CC1 ZINC000079348583 185165875 /nfs/dbraw/zinc/16/58/75/185165875.db2.gz GOPNHRXJJIAZTN-MRXNPFEDSA-N 1 0 316.511 2.464 10 0 DEAERO CC(C)c1nc(CCNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000612970729 361965793 /nfs/dbraw/zinc/96/57/93/361965793.db2.gz LOIKRPFOWPTMGU-CYBMUJFWSA-N 1 0 322.478 2.250 10 0 DEAERO COC(=O)C[C@H](NC(=O)CC[C@@H](C)CC[NH3+])c1cccs1 ZINC000079190563 185161415 /nfs/dbraw/zinc/16/14/15/185161415.db2.gz DBVBAYARKKPZQY-NEPJUHHUSA-N 1 0 312.435 2.234 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)CCOC)c1ccc(CC)cc1 ZINC000081961902 192345391 /nfs/dbraw/zinc/34/53/91/192345391.db2.gz YTWLRLQLMJCDMK-INIZCTEOSA-N 1 0 313.463 2.351 10 0 DEAERO Cc1cccc(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c1C ZINC000082314877 185175475 /nfs/dbraw/zinc/17/54/75/185175475.db2.gz NOFDBPIXTFEUNJ-QGZVFWFLSA-N 1 0 315.461 2.294 10 0 DEAERO C[NH+]1CCC(N(C(=O)c2ccc3c(c2)OCO3)C2CC2)CC1 ZINC000082341171 185176653 /nfs/dbraw/zinc/17/66/53/185176653.db2.gz IGQDDKUNUAAJAM-UHFFFAOYSA-N 1 0 302.374 2.114 10 0 DEAERO CC[NH2+][C@@H](c1ccc(CC)cc1)[C@@H](C)S(=O)(=O)CCOC ZINC000081944990 192345944 /nfs/dbraw/zinc/34/59/44/192345944.db2.gz OOHJJPSXYOBMNH-CZUORRHYSA-N 1 0 313.463 2.349 10 0 DEAERO C[C@H]([NH3+])C[C@H](C)S(=O)(=O)c1ccc(Br)cc1 ZINC000082798465 185204942 /nfs/dbraw/zinc/20/49/42/185204942.db2.gz NZKJXFQPSVVKOQ-IUCAKERBSA-N 1 0 306.225 2.349 10 0 DEAERO O=C(Nc1cccc(Br)c1)c1n[nH]c2c1C[NH2+]CC2 ZINC000082807323 185205699 /nfs/dbraw/zinc/20/56/99/185205699.db2.gz DITBLOSSGBIGRA-UHFFFAOYSA-N 1 0 321.178 2.070 10 0 DEAERO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1C ZINC000328615528 231246379 /nfs/dbraw/zinc/24/63/79/231246379.db2.gz AWDZDBJOSADRFL-RDJZCZTQSA-N 1 0 312.417 2.151 10 0 DEAERO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)no1 ZINC000328643874 231278639 /nfs/dbraw/zinc/27/86/39/231278639.db2.gz ZAXFXVLCZQEGDX-HOCLYGCPSA-N 1 0 314.389 2.143 10 0 DEAERO CCC[C@@H](C[NH3+])NC(=O)c1ccc(Br)c(F)c1 ZINC000087386917 185223360 /nfs/dbraw/zinc/22/33/60/185223360.db2.gz CWXAAFXNPGJDRR-VIFPVBQESA-N 1 0 303.175 2.445 10 0 DEAERO CC(C)[C@@H](C[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000087406261 185224120 /nfs/dbraw/zinc/22/41/20/185224120.db2.gz XXXOATNTMJKDEK-LLVKDONJSA-N 1 0 311.179 2.028 10 0 DEAERO CC(C)c1nnsc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000087442766 185225154 /nfs/dbraw/zinc/22/51/54/185225154.db2.gz IDBCISBNNPZUCJ-NEPJUHHUSA-N 1 0 308.451 2.266 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000087455339 185225526 /nfs/dbraw/zinc/22/55/26/185225526.db2.gz HUBYXKRMVXBNQX-OUAUKWLOSA-N 1 0 308.451 2.035 10 0 DEAERO CC[NH+](CC)CCNc1ncc(N)c(C)c1Br ZINC000165444534 197675898 /nfs/dbraw/zinc/67/58/98/197675898.db2.gz BLWXDAHYUDAKHR-UHFFFAOYSA-N 1 0 301.232 2.488 10 0 DEAERO [NH3+]CCc1ccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000087779044 185231906 /nfs/dbraw/zinc/23/19/06/185231906.db2.gz URMXTSJSNQAPDS-HOCLYGCPSA-N 1 0 308.447 2.141 10 0 DEAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000087517694 185227510 /nfs/dbraw/zinc/22/75/10/185227510.db2.gz WHHGQJREFURMDE-LLVKDONJSA-N 1 0 307.785 2.090 10 0 DEAERO CC[NH2+][C@@](C)(CCc1ccc(OC(F)F)cc1)CC(N)=O ZINC000087549504 185228161 /nfs/dbraw/zinc/22/81/61/185228161.db2.gz NMXVDNMVNMDIQB-HNNXBMFYSA-N 1 0 300.349 2.464 10 0 DEAERO C[NH2+][C@H](c1sccc1Br)[C@@H]1CN(C)CCO1 ZINC000087570436 185228363 /nfs/dbraw/zinc/22/83/63/185228363.db2.gz OGMYJSWQZUFBHT-UWVGGRQHSA-N 1 0 305.241 2.102 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])c2cscn2)c1Br ZINC000087594523 185228938 /nfs/dbraw/zinc/22/89/38/185228938.db2.gz JBSDTBBBTPNREP-ZETCQYMHSA-N 1 0 301.213 2.190 10 0 DEAERO CCS(=O)(=O)c1ccccc1NC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627388 185229476 /nfs/dbraw/zinc/22/94/76/185229476.db2.gz DTVWRXYFMFWKQY-UHFFFAOYSA-N 1 0 312.435 2.182 10 0 DEAERO [NH3+][C@H]1CC[C@](O)(Cc2ccc(I)cc2)C1 ZINC000087653945 185229928 /nfs/dbraw/zinc/22/99/28/185229928.db2.gz JUGMKMLNCNPMMV-RYUDHWBXSA-N 1 0 317.170 2.076 10 0 DEAERO [NH3+]C[C@@]1(Nc2ccccc2Br)CN2CCC1CC2 ZINC000087914550 185237446 /nfs/dbraw/zinc/23/74/46/185237446.db2.gz OLCKWHKBYHZBAK-CQSZACIVSA-N 1 0 310.239 2.284 10 0 DEAERO CC(C)([NH3+])CS(=O)(=O)Cc1cc(Br)cs1 ZINC000088072309 185238808 /nfs/dbraw/zinc/23/88/08/185238808.db2.gz WORVYOKFQURBHD-UHFFFAOYSA-N 1 0 312.254 2.163 10 0 DEAERO CC(C)[NH2+]Cc1nnnn1-c1ccc(Br)c(F)c1 ZINC000088085336 185239122 /nfs/dbraw/zinc/23/91/22/185239122.db2.gz CFBMHOIUJOOUNY-UHFFFAOYSA-N 1 0 314.162 2.062 10 0 DEAERO C[C@H]([NH3+])CCS(=O)(=O)Cc1sccc1Br ZINC000088087062 185239400 /nfs/dbraw/zinc/23/94/00/185239400.db2.gz VXWBINJOWVIOED-ZETCQYMHSA-N 1 0 312.254 2.163 10 0 DEAERO Cc1c(N)cnc(NCC[N@@H+](C)C(C)C)c1Br ZINC000165538424 197677968 /nfs/dbraw/zinc/67/79/68/197677968.db2.gz YDPBABRUFSBMCK-UHFFFAOYSA-N 1 0 301.232 2.487 10 0 DEAERO CC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccncc1 ZINC000173499546 282190901 /nfs/dbraw/zinc/19/09/01/282190901.db2.gz YPXKOKBUAKPZLV-CVEARBPZSA-N 1 0 302.422 2.412 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(F)c(Br)c1)[C@H]1COCCO1 ZINC000087857736 185233557 /nfs/dbraw/zinc/23/35/57/185233557.db2.gz HUXNILFQKCCKDL-QWHCGFSZSA-N 1 0 318.186 2.134 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COCCO1 ZINC000087857547 185233680 /nfs/dbraw/zinc/23/36/80/185233680.db2.gz JJYQTNDCJMYDKT-STQMWFEESA-N 1 0 305.296 2.131 10 0 DEAERO CC[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccncc1 ZINC000173499360 282191159 /nfs/dbraw/zinc/19/11/59/282191159.db2.gz ZYEAUIVDRSYPPT-BPUTZDHNSA-N 1 0 302.422 2.411 10 0 DEAERO O=S(=O)(Nc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000088171782 185241071 /nfs/dbraw/zinc/24/10/71/185241071.db2.gz SEGOJZMCRGIBRB-UHFFFAOYSA-N 1 0 309.218 2.487 10 0 DEAERO O=C1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@H](C2CC2)N1 ZINC000328907564 231383185 /nfs/dbraw/zinc/38/31/85/231383185.db2.gz LQFOERLSZQXNPT-KDOFPFPSSA-N 1 0 316.401 2.487 10 0 DEAERO C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000174351496 282193521 /nfs/dbraw/zinc/19/35/21/282193521.db2.gz ASBINLYGQMCIRW-DGCLKSJQSA-N 1 0 311.376 2.462 10 0 DEAERO [NH3+]CCOCC(=O)Nc1cc(Cl)ccc1Br ZINC000088122743 185239999 /nfs/dbraw/zinc/23/99/99/185239999.db2.gz VXBGVNRVAGGMOJ-UHFFFAOYSA-N 1 0 307.575 2.016 10 0 DEAERO CCC[NH2+][C@H]1CCN(c2c3nsnc3ccc2Cl)C1=O ZINC000088120681 185240054 /nfs/dbraw/zinc/24/00/54/185240054.db2.gz CKUMQJDFJDSSRC-JTQLQIEISA-N 1 0 310.810 2.450 10 0 DEAERO [NH3+][C@@H]1CC(=O)N(c2c3nsnc3c(Cl)cc2Cl)C1 ZINC000088127203 185240434 /nfs/dbraw/zinc/24/04/34/185240434.db2.gz XZZYPMGCZVJOQC-SCSAIBSYSA-N 1 0 303.174 2.062 10 0 DEAERO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000176382403 282198715 /nfs/dbraw/zinc/19/87/15/282198715.db2.gz JLMLKQRMSCNLHX-ZDUSSCGKSA-N 1 0 305.422 2.062 10 0 DEAERO CC[C@H](C[NH3+])S(=O)(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000088471905 185251895 /nfs/dbraw/zinc/25/18/95/185251895.db2.gz ASVDHEULBKBTQO-BQOUJGBCSA-N 1 0 314.495 2.248 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N(C)CCC(F)(F)F)OCCO2 ZINC000088418280 185249147 /nfs/dbraw/zinc/24/91/47/185249147.db2.gz VZEZRTSWOLJCIS-RYUDHWBXSA-N 1 0 310.360 2.144 10 0 DEAERO COC(=O)[C@@](C)(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)NC(C)C ZINC000088435149 185250021 /nfs/dbraw/zinc/25/00/21/185250021.db2.gz IGKAKEAFFZDIBW-WCQYABFASA-N 1 0 310.360 2.190 10 0 DEAERO CC1(O)CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000177306945 282203682 /nfs/dbraw/zinc/20/36/82/282203682.db2.gz RCFLWNXQLWWRRW-OAHLLOKOSA-N 1 0 313.825 2.064 10 0 DEAERO CC[C@@H](NS(=O)(=O)c1ccc(C[NH2+]C)o1)c1ccccc1 ZINC000088542499 185256218 /nfs/dbraw/zinc/25/62/18/185256218.db2.gz IYKJPBXCFVDVMY-CQSZACIVSA-N 1 0 308.403 2.429 10 0 DEAERO CCN(C1CC1)S(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088543617 185256740 /nfs/dbraw/zinc/25/67/40/185256740.db2.gz DJLNLDCIABDBOD-UHFFFAOYSA-N 1 0 300.424 2.341 10 0 DEAERO CCn1ncnc1C[C@H](Cc1ccc(Br)cc1)[NH2+]C ZINC000088610372 185260134 /nfs/dbraw/zinc/26/01/34/185260134.db2.gz YPGJQMBUPOYSJP-ZDUSSCGKSA-N 1 0 323.238 2.434 10 0 DEAERO CCOC(=O)[C@H]1C[NH2+]CCN1[C@@H](C)c1ccc(Cl)s1 ZINC000088658015 185261775 /nfs/dbraw/zinc/26/17/75/185261775.db2.gz WUJAOHZZLAQMHB-VHSXEESVSA-N 1 0 302.827 2.299 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982907 192349293 /nfs/dbraw/zinc/34/92/93/192349293.db2.gz MALSJWIGRFPKLF-MNOVXSKESA-N 1 0 304.209 2.103 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCN(CCC(C)C)CC1 ZINC000088718418 185262984 /nfs/dbraw/zinc/26/29/84/185262984.db2.gz QPZIRVVEMJGTOQ-UHFFFAOYSA-N 1 0 310.463 2.347 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCCSCC2)c1 ZINC000089981705 185273932 /nfs/dbraw/zinc/27/39/32/185273932.db2.gz YAAWDDCNQOFMKD-OAHLLOKOSA-N 1 0 309.431 2.068 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)C1CCOCC1)c1ccc(C)cc1 ZINC000081990063 192350610 /nfs/dbraw/zinc/35/06/10/192350610.db2.gz HUORXLQBCOTQGJ-INIZCTEOSA-N 1 0 311.447 2.239 10 0 DEAERO CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081990564 192351126 /nfs/dbraw/zinc/35/11/26/192351126.db2.gz CIXBYAFOZWKBKN-KGLIPLIRSA-N 1 0 303.468 2.137 10 0 DEAERO CCCCS(=O)(=O)C[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000082004326 192353167 /nfs/dbraw/zinc/35/31/67/192353167.db2.gz XQJCKIZEAMDBKN-CYBMUJFWSA-N 1 0 313.419 2.063 10 0 DEAERO COC(OC)[C@@](C)(C[NH3+])Nc1ccc(Br)cc1 ZINC000090266746 185288453 /nfs/dbraw/zinc/28/84/53/185288453.db2.gz OJOCNVNEQZEOQN-GFCCVEGCSA-N 1 0 303.200 2.197 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)COc1ccc(Cl)cc1 ZINC000090331246 185291185 /nfs/dbraw/zinc/29/11/85/185291185.db2.gz QYOHYXPGCHZNEQ-KCPJHIHWSA-N 1 0 308.809 2.175 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(Br)c2)CC[C@@H]1O ZINC000166096567 197688345 /nfs/dbraw/zinc/68/83/45/197688345.db2.gz JBDIFIOJOJFINT-SWHYSGLUSA-N 1 0 313.239 2.152 10 0 DEAERO C[C@H](C[NH3+])CSCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000090349551 185292143 /nfs/dbraw/zinc/29/21/43/185292143.db2.gz SNRITQKWNFZTDE-SNVBAGLBSA-N 1 0 307.868 2.442 10 0 DEAERO C[C@H]([NH3+])CCSCC(=O)NC(=O)c1ccccc1Cl ZINC000090346766 185292191 /nfs/dbraw/zinc/29/21/91/185292191.db2.gz HGYOTZVORUJJLZ-VIFPVBQESA-N 1 0 300.811 2.067 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1c1nc(-c2cc(Br)cs2)no1 ZINC000090364817 185292776 /nfs/dbraw/zinc/29/27/76/185292776.db2.gz ZUDZIDCKPUASMF-RNFRBKRXSA-N 1 0 316.180 2.002 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000090489276 185298831 /nfs/dbraw/zinc/29/88/31/185298831.db2.gz YIZGNPJEBVNMFN-IVZWLZJFSA-N 1 0 302.827 2.203 10 0 DEAERO Cc1cc2ncc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)c(C)n2n1 ZINC000090517978 185300097 /nfs/dbraw/zinc/30/00/97/185300097.db2.gz WZYQOMYFHDIPOA-SMDDFHAHSA-N 1 0 308.451 2.154 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000090379214 185293685 /nfs/dbraw/zinc/29/36/85/185293685.db2.gz IKFPSKSMKGYSNV-VXNVDRBHSA-N 1 0 319.586 2.015 10 0 DEAERO Cc1nc(-c2ccc(NC(=O)[C@@H]3COC[C@H]3[NH3+])cc2)cs1 ZINC000090383768 185293841 /nfs/dbraw/zinc/29/38/41/185293841.db2.gz XRQXSSPUZHSRHB-CHWSQXEVSA-N 1 0 303.387 2.031 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000090432778 185295829 /nfs/dbraw/zinc/29/58/29/185295829.db2.gz AWJLRBYTGJTIIV-GZBFAFLISA-N 1 0 308.447 2.330 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000090433782 185296115 /nfs/dbraw/zinc/29/61/15/185296115.db2.gz ZIPKIHQGTARFCT-ZWNOBZJWSA-N 1 0 305.765 2.061 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000090433440 185296319 /nfs/dbraw/zinc/29/63/19/185296319.db2.gz OELSYOSZDXZJAE-WDEREUQCSA-N 1 0 320.336 2.471 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000090434499 185296349 /nfs/dbraw/zinc/29/63/49/185296349.db2.gz BDNIFCNOJVDLAZ-JQWIXIFHSA-N 1 0 317.216 2.186 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1CN(C)Cc1cccc(Br)c1 ZINC000090438773 185296551 /nfs/dbraw/zinc/29/65/51/185296551.db2.gz KAFPWTDLBRROKE-GXTWGEPZSA-N 1 0 313.239 2.115 10 0 DEAERO C[C@@]1(C(=O)Nc2ccccc2SC(F)F)COC[C@@H]1[NH3+] ZINC000090580451 185305013 /nfs/dbraw/zinc/30/50/13/185305013.db2.gz MLDGCCXMDSONKD-GXFFZTMASA-N 1 0 302.346 2.304 10 0 DEAERO C[C@]1(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)COC[C@@H]1[NH3+] ZINC000090593660 185305960 /nfs/dbraw/zinc/30/59/60/185305960.db2.gz XRWYMQVRRYHTGV-YCPHGPKFSA-N 1 0 308.809 2.367 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1nc2ccccc2s1 ZINC000090539319 185301591 /nfs/dbraw/zinc/30/15/91/185301591.db2.gz JNULIIWOIDKVNH-JQWIXIFHSA-N 1 0 305.403 2.249 10 0 DEAERO COc1cccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1F ZINC000090685629 185309601 /nfs/dbraw/zinc/30/96/01/185309601.db2.gz RGQZKNZDMLUWGR-TZMCWYRMSA-N 1 0 306.381 2.391 10 0 DEAERO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CCOCC1 ZINC000151260685 299090344 /nfs/dbraw/zinc/09/03/44/299090344.db2.gz OWUMXKMEFMJUFF-RDJZCZTQSA-N 1 0 323.481 2.461 10 0 DEAERO Cc1cc(C)n2c(CN3CC[NH+](CC(C)C)CC3)cnc2n1 ZINC000179679438 282231556 /nfs/dbraw/zinc/23/15/56/282231556.db2.gz CCZZZRJZEBDCOJ-UHFFFAOYSA-N 1 0 301.438 2.120 10 0 DEAERO CCCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH2+]C ZINC000092388683 185315384 /nfs/dbraw/zinc/31/53/84/185315384.db2.gz CBGNLYUKWOVPMR-HZPDHXFCSA-N 1 0 311.447 2.485 10 0 DEAERO CC(C)[C@@H](CO)[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000092393002 185315593 /nfs/dbraw/zinc/31/55/93/185315593.db2.gz GLWMQSJELVFWBW-GFCCVEGCSA-N 1 0 304.312 2.294 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)n1c(N)nc2cc(Br)cnc21 ZINC000092575462 185326668 /nfs/dbraw/zinc/32/66/68/185326668.db2.gz HVLFVTFCQVYOGG-VIFPVBQESA-N 1 0 324.226 2.433 10 0 DEAERO COc1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1OC ZINC000092648022 185331432 /nfs/dbraw/zinc/33/14/32/185331432.db2.gz RLXPGUQRLCJYGG-UHFFFAOYSA-N 1 0 302.378 2.132 10 0 DEAERO Cn1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(-c2cccnc2)n1 ZINC000092616060 185329156 /nfs/dbraw/zinc/32/91/56/185329156.db2.gz ZUEDDKGJSMKJLE-QGZVFWFLSA-N 1 0 311.433 2.152 10 0 DEAERO COCCOc1ccccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092616181 185329344 /nfs/dbraw/zinc/32/93/44/185329344.db2.gz FPDRTPBRMFWUCG-QGZVFWFLSA-N 1 0 304.434 2.382 10 0 DEAERO CN(C[C@H]1CCC[N@@H+]1C)c1cc(Br)ccc1CO ZINC000092632192 185330146 /nfs/dbraw/zinc/33/01/46/185330146.db2.gz GICJSKLZZHEIAF-CYBMUJFWSA-N 1 0 313.239 2.472 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nc(C)cc(C)c1C(N)=S ZINC000092632008 185330409 /nfs/dbraw/zinc/33/04/09/185330409.db2.gz JSMOWRMYBVUYPD-CYBMUJFWSA-N 1 0 306.479 2.253 10 0 DEAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc2nc(N)sc2c1 ZINC000092628654 185330612 /nfs/dbraw/zinc/33/06/12/185330612.db2.gz RCJGAFKDVPCCMU-NSHDSACASA-N 1 0 304.419 2.045 10 0 DEAERO CCN(Cc1ccccc1Cl)C(=O)CN1CCC([NH3+])CC1 ZINC000092714098 185335999 /nfs/dbraw/zinc/33/59/99/185335999.db2.gz NIAOGSIUQSFUDZ-UHFFFAOYSA-N 1 0 309.841 2.112 10 0 DEAERO Cc1n[nH]cc1C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000092849188 185346305 /nfs/dbraw/zinc/34/63/05/185346305.db2.gz LNWUQYOBIKBAIO-GOEBONIOSA-N 1 0 318.808 2.433 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)no1 ZINC000442108181 529712740 /nfs/dbraw/zinc/71/27/40/529712740.db2.gz AOIHUCTXUODUOR-NWDGAFQWSA-N 1 0 323.441 2.039 10 0 DEAERO C[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)C1CCCC1 ZINC000092911534 185348452 /nfs/dbraw/zinc/34/84/52/185348452.db2.gz BJWVZYLHZXNGNP-HZPDHXFCSA-N 1 0 309.431 2.238 10 0 DEAERO CCC[C@@H](C(=O)N1CCN([C@H](C)c2nccs2)CC1)[NH+](C)C ZINC000185760646 282266360 /nfs/dbraw/zinc/26/63/60/282266360.db2.gz MCQOUTDYFFJQAW-KGLIPLIRSA-N 1 0 324.494 2.079 10 0 DEAERO C[NH2+][C@H](c1ccc(F)c(Br)c1)[C@H](C)S(C)(=O)=O ZINC000168375090 197721670 /nfs/dbraw/zinc/72/16/70/197721670.db2.gz LEHPHJYMAGTCIW-CPCISQLKSA-N 1 0 324.215 2.282 10 0 DEAERO COc1ccc(F)cc1CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000186297099 282271923 /nfs/dbraw/zinc/27/19/23/282271923.db2.gz SREPYOBWQFCNJG-UHFFFAOYSA-N 1 0 323.412 2.365 10 0 DEAERO CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000181403040 199292018 /nfs/dbraw/zinc/29/20/18/199292018.db2.gz KLEAPQZXUHDSPE-CYBMUJFWSA-N 1 0 321.421 2.218 10 0 DEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000093994640 282268862 /nfs/dbraw/zinc/26/88/62/282268862.db2.gz SOYYJLILDMNPQR-OLZOCXBDSA-N 1 0 318.417 2.318 10 0 DEAERO CC[NH2+][C@@H](Cc1cccc(OC)c1)[C@H]1CCCCS1(=O)=O ZINC000168605024 197725499 /nfs/dbraw/zinc/72/54/99/197725499.db2.gz XAJOWEBFIUHGAV-JKSUJKDBSA-N 1 0 311.447 2.183 10 0 DEAERO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CCCC[C@@H]1O ZINC000181470814 199301913 /nfs/dbraw/zinc/30/19/13/199301913.db2.gz GWBBWGJGEUUUPJ-NHYWBVRUSA-N 1 0 312.360 2.386 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3nnc(-c4ccccn4)s3)C[C@H]21 ZINC000333574740 282960341 /nfs/dbraw/zinc/96/03/41/282960341.db2.gz SMGXPAVLTFKGSS-QJPTWQEYSA-N 1 0 301.419 2.164 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+]CC[C@@H]2CCCO2)c2cc(F)ccc21 ZINC000038096086 539336048 /nfs/dbraw/zinc/33/60/48/539336048.db2.gz JZAHRYHFZGBOCV-JSGCOSHPSA-N 1 0 313.394 2.203 10 0 DEAERO CC(C)C[NH2+]C[C@](C)(O)Cc1cncc(Br)c1 ZINC000168951441 197732023 /nfs/dbraw/zinc/73/20/23/197732023.db2.gz FBDMZQWMNMMWDL-CYBMUJFWSA-N 1 0 301.228 2.383 10 0 DEAERO CO[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC[C@@H]1C ZINC000187677798 282288727 /nfs/dbraw/zinc/28/87/27/282288727.db2.gz XPIRCFWGWBKALK-XHSDSOJGSA-N 1 0 311.470 2.173 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ncnc3c2ncn3C2CC2)C1 ZINC000292850124 529809202 /nfs/dbraw/zinc/80/92/02/529809202.db2.gz WBBYKNCXGSMNHV-OCCSQVGLSA-N 1 0 312.421 2.082 10 0 DEAERO C[N@H+](CCCO)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000442960633 529894041 /nfs/dbraw/zinc/89/40/41/529894041.db2.gz HOPAPOPSTPIYOB-UHFFFAOYSA-N 1 0 324.222 2.449 10 0 DEAERO COC(=O)CC1(CC(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)CCCC1 ZINC000189552722 282312458 /nfs/dbraw/zinc/31/24/58/282312458.db2.gz CMFMGZBMCXNZBR-ZIAGYGMSSA-N 1 0 310.438 2.051 10 0 DEAERO CC[N@@H+]1CC[C@@H](O)[C@@H](Cc2cc(N)c(OC(C)C)c(OC)c2)C1 ZINC000169958153 197762008 /nfs/dbraw/zinc/76/20/08/197762008.db2.gz YKKJBVDDHPWAME-GOEBONIOSA-N 1 0 322.449 2.310 10 0 DEAERO CCN1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000193822653 282358240 /nfs/dbraw/zinc/35/82/40/282358240.db2.gz NYOGIHPGWZJZHH-SECBINFHSA-N 1 0 308.856 2.164 10 0 DEAERO CC(C)CCC(=O)NCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107779194 185492044 /nfs/dbraw/zinc/49/20/44/185492044.db2.gz ISHUIDLFQZORGV-INIZCTEOSA-N 1 0 323.481 2.016 10 0 DEAERO CCCOc1ccc(CNC(=O)NC[C@H](C)[NH+](CC)CC)cn1 ZINC000107832631 185493750 /nfs/dbraw/zinc/49/37/50/185493750.db2.gz NQPRQKBRLSTWJT-AWEZNQCLSA-N 1 0 322.453 2.400 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2ccncc2)CC[N@@H+]1C ZINC000092362428 539425019 /nfs/dbraw/zinc/42/50/19/539425019.db2.gz YJFFYYZXIORQFD-HOCLYGCPSA-N 1 0 318.465 2.483 10 0 DEAERO COC[C@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000615087175 362530933 /nfs/dbraw/zinc/53/09/33/362530933.db2.gz LQNOBPNIEWEXOV-JSGCOSHPSA-N 1 0 301.427 2.138 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000245433270 282387841 /nfs/dbraw/zinc/38/78/41/282387841.db2.gz PPYAEDQETQAKKR-GOEBONIOSA-N 1 0 306.381 2.072 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2OC)[C@@H](C)C1 ZINC000245433821 282387950 /nfs/dbraw/zinc/38/79/50/282387950.db2.gz PLJPXVFHZFIVPO-GOEBONIOSA-N 1 0 319.449 2.296 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C12CCCC2 ZINC000245485158 282391529 /nfs/dbraw/zinc/39/15/29/282391529.db2.gz IVZXMJORLQNAQA-HRCADAONSA-N 1 0 321.465 2.214 10 0 DEAERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@H]1C)c1ccccc1Br ZINC000111264941 185567739 /nfs/dbraw/zinc/56/77/39/185567739.db2.gz KENBYIWHCJOKRB-SCVCMEIPSA-N 1 0 311.223 2.482 10 0 DEAERO c1[nH+]cn2ccc(-c3noc(CCOC4CCOCC4)n3)cc12 ZINC000279638228 215023785 /nfs/dbraw/zinc/02/37/85/215023785.db2.gz VNNMIGGGXIBTAR-UHFFFAOYSA-N 1 0 314.345 2.122 10 0 DEAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000248514231 282513655 /nfs/dbraw/zinc/51/36/55/282513655.db2.gz DVFLZLIXDJHXPZ-LUKYLMHMSA-N 1 0 308.466 2.163 10 0 DEAERO CC(C)C[NH2+]C[C@@H](O)CS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000123651127 185829533 /nfs/dbraw/zinc/82/95/33/185829533.db2.gz OXICPTQNVWUJRT-OAHLLOKOSA-N 1 0 313.463 2.190 10 0 DEAERO C[NH2+]CCOCCNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000625830209 365919692 /nfs/dbraw/zinc/91/96/92/365919692.db2.gz CRHRSVYOSXIUGE-UHFFFAOYSA-N 1 0 306.193 2.351 10 0 DEAERO C[C@@H]1CCN(C(=O)Cc2cccc(Br)c2)C[C@H]1[NH3+] ZINC000070145241 190862961 /nfs/dbraw/zinc/86/29/61/190862961.db2.gz WASXHXOQSMNYEF-ZWNOBZJWSA-N 1 0 311.223 2.187 10 0 DEAERO C[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccc(F)c(Br)c1 ZINC000070284692 190877891 /nfs/dbraw/zinc/87/78/91/190877891.db2.gz DDSJKZHTMJPWLS-QWHCGFSZSA-N 1 0 317.202 2.179 10 0 DEAERO CC(C)(C)OC(=O)NCCN1CC[C@@H](C[NH3+])c2ccccc21 ZINC000616674299 362907646 /nfs/dbraw/zinc/90/76/46/362907646.db2.gz HJUWEIAVMDRCQR-ZDUSSCGKSA-N 1 0 305.422 2.464 10 0 DEAERO CC(C)(C)OC(=O)NCC[C@H]1c2ccccc2CC[N@H+]1CCO ZINC000616679663 362908730 /nfs/dbraw/zinc/90/87/30/362908730.db2.gz WXASBCGQDYVVEF-INIZCTEOSA-N 1 0 320.433 2.493 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](c2conn2)C1 ZINC000616630689 362900690 /nfs/dbraw/zinc/90/06/90/362900690.db2.gz SJLVHHWNOMEEAE-GFCCVEGCSA-N 1 0 310.398 2.164 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cnn(CC3CC3)c2)[C@@H](C)C1 ZINC000176487664 539627264 /nfs/dbraw/zinc/62/72/64/539627264.db2.gz ZNCXPJNEUHEROA-WFASDCNBSA-N 1 0 305.426 2.143 10 0 DEAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000180121128 539644280 /nfs/dbraw/zinc/64/42/80/539644280.db2.gz MIEHRZQPTZCFTO-HNNXBMFYSA-N 1 0 316.453 2.103 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CC12CCCCC2 ZINC000180290753 539644980 /nfs/dbraw/zinc/64/49/80/539644980.db2.gz YFEUBQVQUAGHSF-HNNXBMFYSA-N 1 0 309.454 2.121 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C)no2)cc1OC ZINC000180832120 539647037 /nfs/dbraw/zinc/64/70/37/539647037.db2.gz UXDDWUAPYZGFON-LLVKDONJSA-N 1 0 319.361 2.290 10 0 DEAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000182901326 539659036 /nfs/dbraw/zinc/65/90/36/539659036.db2.gz VELFKFMSKWIDQI-WBMJQRKESA-N 1 0 302.349 2.476 10 0 DEAERO Cc1cccc(OCCCNC(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000183197305 539660250 /nfs/dbraw/zinc/66/02/50/539660250.db2.gz VCENULKSKXABJG-WBVHZDCISA-N 1 0 320.433 2.037 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)C1 ZINC000070576293 190907313 /nfs/dbraw/zinc/90/73/13/190907313.db2.gz WLGJZVSWRXYOKY-YJNKXOJESA-N 1 0 312.479 2.017 10 0 DEAERO Cc1cc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)nc(C)n1 ZINC000186558523 539676074 /nfs/dbraw/zinc/67/60/74/539676074.db2.gz UGSVUYAQCKJPPC-KRWDZBQOSA-N 1 0 311.433 2.447 10 0 DEAERO COc1ccc(OC)c([C@H](C)NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000185259089 539671187 /nfs/dbraw/zinc/67/11/87/539671187.db2.gz HRKUDSCYGNHXPD-ZDUSSCGKSA-N 1 0 323.437 2.358 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H]([NH3+])C[C@H]1CCOC1 ZINC000130152756 185941348 /nfs/dbraw/zinc/94/13/48/185941348.db2.gz HPDUMMKSCQMYED-MNOVXSKESA-N 1 0 316.243 2.270 10 0 DEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189032356 539686121 /nfs/dbraw/zinc/68/61/21/539686121.db2.gz VDRCIUIPZDBRGH-ZBEGNZNMSA-N 1 0 316.380 2.309 10 0 DEAERO Brc1ccc2c(c1)[C@@H]([NH2+]CCc1nnc[nH]1)CCO2 ZINC000080573695 192168549 /nfs/dbraw/zinc/16/85/49/192168549.db2.gz LGXCBYZIYVSSHD-NSHDSACASA-N 1 0 323.194 2.223 10 0 DEAERO C[C@H](Cc1cccs1)NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000071272292 190950452 /nfs/dbraw/zinc/95/04/52/190950452.db2.gz FZDWFKHUDKEQEB-GFCCVEGCSA-N 1 0 324.471 2.159 10 0 DEAERO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000193819460 539715245 /nfs/dbraw/zinc/71/52/45/539715245.db2.gz PCVVCBPMXNHAAP-MRXNPFEDSA-N 1 0 317.477 2.068 10 0 DEAERO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000193816910 539715293 /nfs/dbraw/zinc/71/52/93/539715293.db2.gz XKSJBUZEAPXNGS-HNNXBMFYSA-N 1 0 303.450 2.060 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000193824597 539715363 /nfs/dbraw/zinc/71/53/63/539715363.db2.gz BCQZVXDSNXYECT-UHFFFAOYSA-N 1 0 315.461 2.204 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(OC)c(C[S@](=O)C2CCOCC2)c1 ZINC000084053089 192397762 /nfs/dbraw/zinc/39/77/62/192397762.db2.gz WPGRPKVDLORICF-LAJNKCICSA-N 1 0 311.447 2.403 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)CSC(N)=[NH2+] ZINC000084147442 192406513 /nfs/dbraw/zinc/40/65/13/192406513.db2.gz WFUREDRNQQRQDT-UHFFFAOYSA-N 1 0 302.197 2.323 10 0 DEAERO CN1C(=O)C[C@H]([NH2+][C@H]2CCCOC2)[C@@H]1c1ccc(Cl)cc1 ZINC000245594657 282646049 /nfs/dbraw/zinc/64/60/49/282646049.db2.gz MPXIVSAOILZNAI-DZKIICNBSA-N 1 0 308.809 2.380 10 0 DEAERO COC(=O)[C@@H](C)CN(CCC[NH+](C)C)C(=O)c1cccc(F)c1 ZINC000071608316 190992911 /nfs/dbraw/zinc/99/29/11/190992911.db2.gz SCEQISWPFAAPTM-ZDUSSCGKSA-N 1 0 324.396 2.029 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1cc(Br)ccc1N ZINC000071697795 191008485 /nfs/dbraw/zinc/00/84/85/191008485.db2.gz CLZQVEJRKXUOHI-UHFFFAOYSA-N 1 0 314.227 2.103 10 0 DEAERO C[C@H]([NH3+])c1nc(CC(=O)Nc2ccc3c(c2)OCO3)cs1 ZINC000071695627 191008817 /nfs/dbraw/zinc/00/88/17/191008817.db2.gz FDAWJPUOSNSWEA-QMMMGPOBSA-N 1 0 305.359 2.073 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)c1cccnc1N)c1ccc(Cl)cc1 ZINC000071700690 191009686 /nfs/dbraw/zinc/00/96/86/191009686.db2.gz RTFMLDDDRNCZKJ-CQSZACIVSA-N 1 0 318.808 2.350 10 0 DEAERO C[C@@H]([NH2+]C1CC(O)C1)c1ccc(I)cc1 ZINC000084442839 192430350 /nfs/dbraw/zinc/43/03/50/192430350.db2.gz XZKXLYGJQBNLST-HUUUCTMMSA-N 1 0 317.170 2.465 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N1CC[C@H](NC(=O)OC)C1 ZINC000133634287 186001577 /nfs/dbraw/zinc/00/15/77/186001577.db2.gz PUINNKDGSSLNKY-OBJOEFQTSA-N 1 0 311.451 2.265 10 0 DEAERO O=S(=O)(c1cc(C[NH2+]C2CC2)cc(F)c1F)N1CCCC1 ZINC000138248512 186015770 /nfs/dbraw/zinc/01/57/70/186015770.db2.gz OXLZQBVRXNRBEW-UHFFFAOYSA-N 1 0 316.373 2.001 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCCN1C(=O)CN[C@H]1c1ccsc1 ZINC000138464816 186016859 /nfs/dbraw/zinc/01/68/59/186016859.db2.gz QEJKALRUJZWEPH-XJKSGUPXSA-N 1 0 307.463 2.443 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)NCC(C)C)c1 ZINC000138617152 186017742 /nfs/dbraw/zinc/01/77/42/186017742.db2.gz OGNIEZFVLOTLDJ-UHFFFAOYSA-N 1 0 320.405 2.399 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c([C@@H]3CCCCC[C@H]3[NH3+])nc21 ZINC000138144494 186014020 /nfs/dbraw/zinc/01/40/20/186014020.db2.gz DPPHGFFUQMHOMU-GHMZBOCLSA-N 1 0 307.419 2.341 10 0 DEAERO CC(C)Cn1ncnc1C[C@@H]([NH3+])c1ncccc1Br ZINC000140342091 186026881 /nfs/dbraw/zinc/02/68/81/186026881.db2.gz KYXXQTHHSAXFFN-LLVKDONJSA-N 1 0 324.226 2.334 10 0 DEAERO CC[C@H]1CC[C@H](C)N1S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139277894 186020699 /nfs/dbraw/zinc/02/06/99/186020699.db2.gz LQEOBSLNRPHZJV-ONGXEEELSA-N 1 0 318.389 2.375 10 0 DEAERO CCCCCSCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000117943977 535112153 /nfs/dbraw/zinc/11/21/53/535112153.db2.gz LVDNHNGYANARKQ-HNNXBMFYSA-N 1 0 316.511 2.383 10 0 DEAERO CC[C@@H]1N[C@H](c2ccc(C)s2)N(C[C@@H]2CC[N@H+](C)C2)C1=O ZINC000142184950 186031850 /nfs/dbraw/zinc/03/18/50/186031850.db2.gz QJJWEWDIERFKOP-IPYPFGDCSA-N 1 0 307.463 2.217 10 0 DEAERO CC[NH2+][C@@H](Cc1cccc(OC)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000142362021 186031907 /nfs/dbraw/zinc/03/19/07/186031907.db2.gz DQXYFINFQKEHTR-GJZGRUSLSA-N 1 0 311.447 2.041 10 0 DEAERO [NH3+]C[C@]1(Nc2ccccc2)CCS(=O)(=O)c2ccccc21 ZINC000147658768 186040620 /nfs/dbraw/zinc/04/06/20/186040620.db2.gz IHOGGQYFFLTDDG-MRXNPFEDSA-N 1 0 302.399 2.130 10 0 DEAERO CCc1cc(Br)ccc1NC(=O)[C@H]([NH3+])CCOC ZINC000148156485 186043273 /nfs/dbraw/zinc/04/32/73/186043273.db2.gz KENRBLPZFDIVJL-LLVKDONJSA-N 1 0 315.211 2.314 10 0 DEAERO COc1ccnc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000247982080 539772172 /nfs/dbraw/zinc/77/21/72/539772172.db2.gz HRPVVIOBTKKGEN-NVXWUHKLSA-N 1 0 311.385 2.265 10 0 DEAERO Cc1ccc([C@H]2N[C@@H](C)C(=O)N2CC[NH+]2CCCCC2)s1 ZINC000144040180 186034258 /nfs/dbraw/zinc/03/42/58/186034258.db2.gz OAGDDYYCMQNGJC-ZFWWWQNUSA-N 1 0 307.463 2.361 10 0 DEAERO CC[C@@H]1N[C@@H](c2ccsc2)N([C@@H]2CCC[N@H+](CC)C2)C1=O ZINC000144311866 186035059 /nfs/dbraw/zinc/03/50/59/186035059.db2.gz FJXMVCUFNLWXHQ-QLFBSQMISA-N 1 0 307.463 2.441 10 0 DEAERO [NH3+][C@@H](Cc1cn2ccsc2n1)[C@@H]1COc2ccccc2O1 ZINC000149186622 186048342 /nfs/dbraw/zinc/04/83/42/186048342.db2.gz ZNYSWBQISIMJOM-FZMZJTMJSA-N 1 0 301.371 2.106 10 0 DEAERO C[C@@H](CS(=O)(=O)N(C)C1(C[NH3+])CCCC1)c1ccccc1 ZINC000149272879 186048623 /nfs/dbraw/zinc/04/86/23/186048623.db2.gz XMPFVGNAJZITLF-AWEZNQCLSA-N 1 0 310.463 2.323 10 0 DEAERO C[C@H](CS(=O)(=O)NCC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000149371737 186049857 /nfs/dbraw/zinc/04/98/57/186049857.db2.gz LPQCYKQYHVPNRP-GDBMZVCRSA-N 1 0 310.463 2.242 10 0 DEAERO C[C@H](CS(=O)(=O)NC[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000149593680 186051702 /nfs/dbraw/zinc/05/17/02/186051702.db2.gz DDMWEYZBAQTAKB-BMFZPTHFSA-N 1 0 310.463 2.227 10 0 DEAERO CSc1nc(N)cc(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000149637748 186052097 /nfs/dbraw/zinc/05/20/97/186052097.db2.gz HYMGHSPXZDVSCC-UHFFFAOYSA-N 1 0 307.467 2.093 10 0 DEAERO C[C@@H](C[NH3+])CC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000149691559 186052567 /nfs/dbraw/zinc/05/25/67/186052567.db2.gz NCDCYSOMZOZLOO-MNOVXSKESA-N 1 0 313.239 2.481 10 0 DEAERO O=C1C[C@H]([NH2+]C[C@@H]2CCCS2)C(=O)N1C1CCCCCC1 ZINC000149831356 186053031 /nfs/dbraw/zinc/05/30/31/186053031.db2.gz OIRIPVGWANOYJL-KBPBESRZSA-N 1 0 310.463 2.322 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NCCCC(F)(F)F)s1 ZINC000149983078 186054239 /nfs/dbraw/zinc/05/42/39/186054239.db2.gz NOTWBLCGCYKDRS-UHFFFAOYSA-N 1 0 316.370 2.088 10 0 DEAERO COc1ccc(Br)cc1C[C@@](O)(C[NH3+])C1CC1 ZINC000150103966 186054631 /nfs/dbraw/zinc/05/46/31/186054631.db2.gz BIBBJIAIRGFYAK-CYBMUJFWSA-N 1 0 300.196 2.100 10 0 DEAERO [NH3+]CCc1sc([C@@H]2CCS(=O)(=O)C2)nc1-c1ccccc1 ZINC000150326216 186056831 /nfs/dbraw/zinc/05/68/31/186056831.db2.gz YDYSMKFTDVTBRM-GFCCVEGCSA-N 1 0 322.455 2.213 10 0 DEAERO COc1ccccc1/C=C\C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000255775675 539786661 /nfs/dbraw/zinc/78/66/61/539786661.db2.gz SSJUCUIROSFXSB-AATOQMJSSA-N 1 0 302.418 2.115 10 0 DEAERO CCC(CC)(C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)cc1 ZINC000262148448 539788004 /nfs/dbraw/zinc/78/80/04/539788004.db2.gz HPDRHJRNCGEHGE-SWLSCSKDSA-N 1 0 324.852 2.094 10 0 DEAERO COC(=O)C1(NC(=O)CCC2CC[NH2+]CC2)CCC(C)CC1 ZINC000262693776 290899000 /nfs/dbraw/zinc/89/90/00/290899000.db2.gz ATPRQVWYFLFMGR-UHFFFAOYSA-N 1 0 310.438 2.004 10 0 DEAERO COc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1OC ZINC000155754019 186109462 /nfs/dbraw/zinc/10/94/62/186109462.db2.gz NBPWZRCCHDIANW-OCCSQVGLSA-N 1 0 306.406 2.162 10 0 DEAERO Cc1ccc(Br)c(NC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000163961834 186143960 /nfs/dbraw/zinc/14/39/60/186143960.db2.gz ZBIOJRMICVXYOU-SNVBAGLBSA-N 1 0 313.195 2.075 10 0 DEAERO Cc1oc(C)c(S(=O)(=O)NC2CC(C)C2)c1C[NH2+]C(C)C ZINC000163992497 186145384 /nfs/dbraw/zinc/14/53/84/186145384.db2.gz BBLNJNLOQSELQO-UHFFFAOYSA-N 1 0 314.451 2.471 10 0 DEAERO CCn1ncc(Br)c1[C@@](C)(F)C[C@@H]1COCC[NH2+]1 ZINC000164055925 186147130 /nfs/dbraw/zinc/14/71/30/186147130.db2.gz SJWIZJQLLMYXHX-SKDRFNHKSA-N 1 0 320.206 2.229 10 0 DEAERO CC1([NH3+])CN(c2ncc(Br)cc2Br)C1 ZINC000164080843 186148296 /nfs/dbraw/zinc/14/82/96/186148296.db2.gz AMFLDTKVABSLJI-UHFFFAOYSA-N 1 0 321.016 2.144 10 0 DEAERO C[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC1CCOCC1 ZINC000155840557 186117147 /nfs/dbraw/zinc/11/71/47/186117147.db2.gz HKEHPMJOHWSXFL-CYBMUJFWSA-N 1 0 322.371 2.146 10 0 DEAERO C[C@H]([NH3+])Cc1cn(CCS(C)(=O)=O)c2cc(Cl)ccc12 ZINC000164142230 186150159 /nfs/dbraw/zinc/15/01/59/186150159.db2.gz YTXAULODHRUIGD-JTQLQIEISA-N 1 0 314.838 2.229 10 0 DEAERO O=S1(=O)CCC[C@H]1C[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000163895508 186141671 /nfs/dbraw/zinc/14/16/71/186141671.db2.gz XPPVDURZVWUSDD-LBPRGKRZSA-N 1 0 312.822 2.488 10 0 DEAERO CCn1ncnc1C[C@H]([NH3+])c1csc(Br)c1 ZINC000163920836 186141896 /nfs/dbraw/zinc/14/18/96/186141896.db2.gz RMGBZOABRVICKW-QMMMGPOBSA-N 1 0 301.213 2.365 10 0 DEAERO C[C@@H](C(=O)N(Cc1ccccc1)CC(F)(F)F)C1C[NH2+]C1 ZINC000164167750 186151208 /nfs/dbraw/zinc/15/12/08/186151208.db2.gz CCXQKGPWDKWXJA-LLVKDONJSA-N 1 0 300.324 2.433 10 0 DEAERO CCC[NH2+]Cc1ccc(-n2ccc(C(=O)NC)n2)c(Cl)c1 ZINC000164212419 186151990 /nfs/dbraw/zinc/15/19/90/186151990.db2.gz CSBISGCCXZPOSP-UHFFFAOYSA-N 1 0 306.797 2.385 10 0 DEAERO Cc1ccc([C@@H](CO)N2CCC[NH2+]CC2)c(Br)c1 ZINC000164256182 186153643 /nfs/dbraw/zinc/15/36/43/186153643.db2.gz JKMSNWAXNKUGCC-CQSZACIVSA-N 1 0 313.239 2.086 10 0 DEAERO CC(C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)=C1C[NH2+]C1 ZINC000164278605 186154256 /nfs/dbraw/zinc/15/42/56/186154256.db2.gz KBGRUABKKZKRRK-HNNXBMFYSA-N 1 0 306.793 2.160 10 0 DEAERO C[C@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000164357239 186157463 /nfs/dbraw/zinc/15/74/63/186157463.db2.gz SLLSOMXLTKRCOQ-RYUDHWBXSA-N 1 0 305.447 2.380 10 0 DEAERO Cc1ccc(OCCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000173334619 186177952 /nfs/dbraw/zinc/17/79/52/186177952.db2.gz AUKKKODUAITKSI-MRXNPFEDSA-N 1 0 315.417 2.030 10 0 DEAERO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)Oc1ccccc1F ZINC000175683798 186187445 /nfs/dbraw/zinc/18/74/45/186187445.db2.gz OVKUJPPSTDJWAU-UONOGXRCSA-N 1 0 323.412 2.377 10 0 DEAERO C[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186071429 186238066 /nfs/dbraw/zinc/23/80/66/186238066.db2.gz QEGVHLSWKNTTDW-IINYFYTJSA-N 1 0 322.206 2.299 10 0 DEAERO [NH3+]Cc1cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)co1 ZINC000187984790 186239466 /nfs/dbraw/zinc/23/94/66/186239466.db2.gz VVIWTMQCCNKKJO-NVXWUHKLSA-N 1 0 314.385 2.467 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000617021535 363002241 /nfs/dbraw/zinc/00/22/41/363002241.db2.gz YJCPGKHLPMDGEB-ZDUSSCGKSA-N 1 0 305.422 2.437 10 0 DEAERO O=C(Nc1ccc(-n2cccn2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171888175 198002284 /nfs/dbraw/zinc/00/22/84/198002284.db2.gz PKSKGRLVYUBQKF-MRXNPFEDSA-N 1 0 311.389 2.184 10 0 DEAERO O=C(NCCOc1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171898619 198003714 /nfs/dbraw/zinc/00/37/14/198003714.db2.gz NMPORGCHQHFPRK-CQSZACIVSA-N 1 0 323.824 2.208 10 0 DEAERO CSCC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000171948372 198013012 /nfs/dbraw/zinc/01/30/12/198013012.db2.gz JQILUIXMIMPOLY-UHFFFAOYSA-N 1 0 302.509 2.217 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2)[C@H](C)C1 ZINC000172164925 198050531 /nfs/dbraw/zinc/05/05/31/198050531.db2.gz HHSPRPXJFYUOJU-AEFFLSMTSA-N 1 0 318.461 2.482 10 0 DEAERO CCOc1ncccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172134561 198044950 /nfs/dbraw/zinc/04/49/50/198044950.db2.gz VYFHSHXZYFEKDD-QWHCGFSZSA-N 1 0 304.394 2.181 10 0 DEAERO C/C(=C\C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1cccc(F)c1 ZINC000172308040 198076626 /nfs/dbraw/zinc/07/66/26/198076626.db2.gz CUEYGTAANHYLHC-LRFDDAOPSA-N 1 0 306.381 2.018 10 0 DEAERO C[C@@H](Cn1cncn1)[NH2+]Cc1cscc1Br ZINC000285471654 539825043 /nfs/dbraw/zinc/82/50/43/539825043.db2.gz NVZXAXWDSJSXCB-QMMMGPOBSA-N 1 0 301.213 2.280 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H](c2ccccc2)O1 ZINC000333877940 282984649 /nfs/dbraw/zinc/98/46/49/282984649.db2.gz VRJKNLDODIMBKH-HYVNUMGLSA-N 1 0 317.433 2.300 10 0 DEAERO C=Cc1ccc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1 ZINC000617507070 363162223 /nfs/dbraw/zinc/16/22/23/363162223.db2.gz HAZQWFDJQRCZDJ-HNNXBMFYSA-N 1 0 303.450 2.331 10 0 DEAERO CCn1nc(C)cc1C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000309771334 539879124 /nfs/dbraw/zinc/87/91/24/539879124.db2.gz QTQCIPYLDTXTIN-UHFFFAOYSA-N 1 0 300.406 2.203 10 0 DEAERO C[C@@H]1[C@@H](NC(=O)c2ncccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000309734763 539878128 /nfs/dbraw/zinc/87/81/28/539878128.db2.gz QHNOROUYLYVCNP-CJNGLKHVSA-N 1 0 310.401 2.057 10 0 DEAERO c1ccc(-c2noc(CCCN3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000172794992 198150275 /nfs/dbraw/zinc/15/02/75/198150275.db2.gz GDPVRUVPXKDKOI-MRXNPFEDSA-N 1 0 312.417 2.449 10 0 DEAERO O=C(c1cnc(-c2ccncc2)s1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172907518 198166264 /nfs/dbraw/zinc/16/62/64/198166264.db2.gz CDYHUQKERBFSLR-CYBMUJFWSA-N 1 0 314.414 2.125 10 0 DEAERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCC2)C(=O)N1CCNC1=O ZINC000072789115 191229002 /nfs/dbraw/zinc/22/90/02/191229002.db2.gz KYHJSGQDUVBPQR-CHWSQXEVSA-N 1 0 315.417 2.156 10 0 DEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000324433921 539906730 /nfs/dbraw/zinc/90/67/30/539906730.db2.gz CCWLQFNWTZSIJX-GXTWGEPZSA-N 1 0 301.814 2.076 10 0 DEAERO O=S(=O)(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000173071805 198182823 /nfs/dbraw/zinc/18/28/23/198182823.db2.gz QJTLKWNBOWHMAC-HNNXBMFYSA-N 1 0 308.447 2.123 10 0 DEAERO NC(=O)c1cc([C@@H]2CCC[N@@H+]([C@H]3C[C@@H]3c3ccccc3)C2)n[nH]1 ZINC000329845863 539930813 /nfs/dbraw/zinc/93/08/13/539930813.db2.gz YBCIQZAAZWMUGZ-CPUCHLNUSA-N 1 0 310.401 2.244 10 0 DEAERO NC(=O)c1cc([C@@H]2CCC[N@@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)n[nH]1 ZINC000329845862 539930828 /nfs/dbraw/zinc/93/08/28/539930828.db2.gz YBCIQZAAZWMUGZ-CKEIUWERSA-N 1 0 310.401 2.244 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000173267635 198203521 /nfs/dbraw/zinc/20/35/21/198203521.db2.gz IIINVMDPQLDMPE-WDEREUQCSA-N 1 0 318.389 2.068 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2ccc(OC)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000173271142 198204102 /nfs/dbraw/zinc/20/41/02/198204102.db2.gz IOOVZPIOIBAPBF-HIFRSBDPSA-N 1 0 321.421 2.004 10 0 DEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000333274937 539954139 /nfs/dbraw/zinc/95/41/39/539954139.db2.gz OFNMIFOLXHMXOY-GFCCVEGCSA-N 1 0 318.417 2.129 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000173275244 198205728 /nfs/dbraw/zinc/20/57/28/198205728.db2.gz BDKHDFPSAZOYCO-HUUCEWRRSA-N 1 0 310.463 2.407 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccccc2F)CC[N@@H+]1C ZINC000173441483 198215392 /nfs/dbraw/zinc/21/53/92/198215392.db2.gz NFCHJFZKIJOORC-HIFRSBDPSA-N 1 0 307.413 2.492 10 0 DEAERO CC[NH+](CC)CC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000173523289 198223873 /nfs/dbraw/zinc/22/38/73/198223873.db2.gz OIOMBGIPIXGXJD-CZUORRHYSA-N 1 0 308.397 2.456 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)Cc2ccccc2O1 ZINC000333677266 539968080 /nfs/dbraw/zinc/96/80/80/539968080.db2.gz OFUNRLLTAYFVKP-UKRRQHHQSA-N 1 0 303.406 2.121 10 0 DEAERO COC[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173682838 198239539 /nfs/dbraw/zinc/23/95/39/198239539.db2.gz RBKBBVWGKBPLFT-LPHOPBHVSA-N 1 0 320.477 2.399 10 0 DEAERO CO[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000173701384 198242424 /nfs/dbraw/zinc/24/24/24/198242424.db2.gz ZTTJCUSCFJKMOS-IAGOWNOFSA-N 1 0 315.417 2.030 10 0 DEAERO C[C@@H]1CC(NS(=O)(=O)Cc2ccc(C[NH3+])cc2)C[C@@H](C)C1 ZINC000084976615 192478795 /nfs/dbraw/zinc/47/87/95/192478795.db2.gz GNNMLZMLNWFXLM-STQMWFEESA-N 1 0 310.463 2.389 10 0 DEAERO Cc1ccc(O[C@@H](C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000173917081 198267757 /nfs/dbraw/zinc/26/77/57/198267757.db2.gz IDYSKSZHDOOMSN-LSDHHAIUSA-N 1 0 305.422 2.108 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000174087136 198290523 /nfs/dbraw/zinc/29/05/23/198290523.db2.gz AUWPEEFFXGHCCN-CQSZACIVSA-N 1 0 314.376 2.177 10 0 DEAERO O=C(N[C@H]1COc2ccccc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174215670 198306918 /nfs/dbraw/zinc/30/69/18/198306918.db2.gz PKZAWOGGXPFMFF-ZBFHGGJFSA-N 1 0 315.417 2.247 10 0 DEAERO CC[C@@H]1CN(C(=O)/C=C/c2cccs2)CC[N@@H+]1C[C@@H](C)O ZINC000174604278 198357361 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ZINC000073132569 354944474 /nfs/dbraw/zinc/94/44/74/354944474.db2.gz RDFLOSJXBNMUDU-CVEARBPZSA-N 1 0 302.418 2.017 10 0 DEAERO CC[NH+](CC)CCCNC(=O)NCc1nccn1CC(C)C ZINC000073437568 191316873 /nfs/dbraw/zinc/31/68/73/191316873.db2.gz WIDZQMBXBXEXKT-UHFFFAOYSA-N 1 0 309.458 2.070 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000073471924 191319760 /nfs/dbraw/zinc/31/97/60/191319760.db2.gz PNXZISVRPIYGDV-HNNXBMFYSA-N 1 0 321.509 2.297 10 0 DEAERO COc1cc(Cl)c(CC(=O)NCC[NH+](C)C)cc1Cl ZINC000074963814 191396769 /nfs/dbraw/zinc/39/67/69/191396769.db2.gz KLAOIXVWRLAYNR-UHFFFAOYSA-N 1 0 305.205 2.222 10 0 DEAERO CCCN(CCO)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078323353 355254260 /nfs/dbraw/zinc/25/42/60/355254260.db2.gz IMNBWDRTOKXAJR-UHFFFAOYSA-N 1 0 319.449 2.196 10 0 DEAERO O=C(CCCCO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390579361 540134373 /nfs/dbraw/zinc/13/43/73/540134373.db2.gz XKDRYIXATVVEHH-AYHJJNSGSA-N 1 0 316.445 2.461 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1sccc1Br)C(F)(F)F ZINC000401715026 540142070 /nfs/dbraw/zinc/14/20/70/540142070.db2.gz AIMJQVAHPAVKJN-RXMQYKEDSA-N 1 0 317.130 2.130 10 0 DEAERO CC(C)OC(=O)CC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000075739539 191513448 /nfs/dbraw/zinc/51/34/48/191513448.db2.gz VTBHQDBYAMXZBD-UHFFFAOYSA-N 1 0 316.405 2.250 10 0 DEAERO CCCc1cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[nH]n1 ZINC000115417142 355768458 /nfs/dbraw/zinc/76/84/58/355768458.db2.gz VFSUJSZQVFWOND-UHFFFAOYSA-N 1 0 318.396 2.493 10 0 DEAERO COC(OC)[C@@H](C)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000079609079 191955949 /nfs/dbraw/zinc/95/59/49/191955949.db2.gz KOLQJCZZAHWOES-MRVPVSSYSA-N 1 0 304.184 2.252 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CCOCC1 ZINC000179870559 356036450 /nfs/dbraw/zinc/03/64/50/356036450.db2.gz CODBXFPPQQPPOS-YPMHNXCESA-N 1 0 322.371 2.192 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000179338971 356022052 /nfs/dbraw/zinc/02/20/52/356022052.db2.gz OBDRMUXVRWXRMF-GOEBONIOSA-N 1 0 304.434 2.474 10 0 DEAERO Cc1noc(CC[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)n1 ZINC000180842079 356063177 /nfs/dbraw/zinc/06/31/77/356063177.db2.gz WUBFJGUIAMZVPP-MRXNPFEDSA-N 1 0 315.352 2.172 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)NCC2CCC(C)(C)CC2)CCO1 ZINC000179604422 356029858 /nfs/dbraw/zinc/02/98/58/356029858.db2.gz SCKGOVNSGKLXPQ-HNNXBMFYSA-N 1 0 311.470 2.175 10 0 DEAERO NC(=O)C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)C1CCCCC1 ZINC000182004162 356105220 /nfs/dbraw/zinc/10/52/20/356105220.db2.gz YJWJYTFVPCDCIO-ZDUSSCGKSA-N 1 0 318.377 2.244 10 0 DEAERO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182265826 356117986 /nfs/dbraw/zinc/11/79/86/356117986.db2.gz YZVVYSSQUXIGAN-VIFPVBQESA-N 1 0 316.361 2.045 10 0 DEAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)no1 ZINC000182276873 356118205 /nfs/dbraw/zinc/11/82/05/356118205.db2.gz AFHJOWUQCHRVER-SNVBAGLBSA-N 1 0 303.318 2.001 10 0 DEAERO CC[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCO1 ZINC000182385799 356125152 /nfs/dbraw/zinc/12/51/52/356125152.db2.gz ICHISXGYVYVYRF-AVGNSLFASA-N 1 0 322.371 2.335 10 0 DEAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000182973933 356154595 /nfs/dbraw/zinc/15/45/95/356154595.db2.gz JURWQZUDGANMMU-ZACQAIPSSA-N 1 0 308.466 2.384 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NCC[C@H](C)[NH+]2CCCCC2)n1 ZINC000183140339 356161798 /nfs/dbraw/zinc/16/17/98/356161798.db2.gz MLXIJFWHQOZPSH-GOEBONIOSA-N 1 0 306.454 2.442 10 0 DEAERO O=C(CC1CCCC1)NC1CC[NH+](CCCn2ccnc2)CC1 ZINC000183177188 356162477 /nfs/dbraw/zinc/16/24/77/356162477.db2.gz UDKGQYTXVVVGPV-UHFFFAOYSA-N 1 0 318.465 2.434 10 0 DEAERO Cc1ccc(S(=O)(=O)N(CC(N)=[NH2+])C2CCCC2)cc1C ZINC000080224373 192013382 /nfs/dbraw/zinc/01/33/82/192013382.db2.gz RDIZIMABTFACGM-UHFFFAOYSA-N 1 0 309.435 2.173 10 0 DEAERO C[NH2+]Cc1ccnn1CCOc1ccc(Br)cc1 ZINC000080082363 192000008 /nfs/dbraw/zinc/00/00/08/192000008.db2.gz LMPPXCZVQUBWAV-UHFFFAOYSA-N 1 0 310.195 2.444 10 0 DEAERO CC[C@H](NS(=O)(=O)c1ccc(C[NH3+])s1)c1nccs1 ZINC000080314967 192023352 /nfs/dbraw/zinc/02/33/52/192023352.db2.gz GGXZABOKQOOZDA-VIFPVBQESA-N 1 0 317.461 2.093 10 0 DEAERO C[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)[C@H]1COc2ccccc21 ZINC000185620505 356208459 /nfs/dbraw/zinc/20/84/59/356208459.db2.gz YGCGPOSJZZTGCU-CZUORRHYSA-N 1 0 321.380 2.349 10 0 DEAERO CCCNS(=O)(=O)c1ccc(OCC2([NH3+])CCCC2)cc1 ZINC000080838267 192195009 /nfs/dbraw/zinc/19/50/09/192195009.db2.gz FQFPEONGXFTWNT-UHFFFAOYSA-N 1 0 312.435 2.025 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)NC(=O)NC1CC1 ZINC000198963983 356266083 /nfs/dbraw/zinc/26/60/83/356266083.db2.gz CGOCFFWYOFDOQY-VHSXEESVSA-N 1 0 309.797 2.367 10 0 DEAERO Cc1nn(C[C@H]2C[N@H+](C(C)C)CCO2)c(C)c1Br ZINC000080747782 192187531 /nfs/dbraw/zinc/18/75/31/192187531.db2.gz GXWLKAOZCXHESN-GFCCVEGCSA-N 1 0 316.243 2.372 10 0 DEAERO C=Cn1cc(C[NH2+]CCc2csc(N3CCCC3)n2)cn1 ZINC000194320334 356238565 /nfs/dbraw/zinc/23/85/65/356238565.db2.gz WNRMTCGIQFDOHF-UHFFFAOYSA-N 1 0 303.435 2.373 10 0 DEAERO CCc1nnc(CN(CC)C[C@@H]2COc3ccccc3O2)n1C ZINC000195020812 356248550 /nfs/dbraw/zinc/24/85/50/356248550.db2.gz VOTAPUXYQHDPJL-CYBMUJFWSA-N 1 0 316.405 2.039 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)COCc1ccco1)[C@@H]1COc2ccccc21 ZINC000248553335 356322972 /nfs/dbraw/zinc/32/29/72/356322972.db2.gz AMZNLOBUVUONOH-VBQJREDUSA-N 1 0 317.385 2.311 10 0 DEAERO C[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1nccs1 ZINC000248612846 356323036 /nfs/dbraw/zinc/32/30/36/356323036.db2.gz YBYDPRALCCUUPY-QWHCGFSZSA-N 1 0 310.467 2.420 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1cc(F)ccc1Br ZINC000085369666 192496923 /nfs/dbraw/zinc/49/69/23/192496923.db2.gz JCMWQPZNJJNYGZ-PWSUYJOCSA-N 1 0 315.186 2.332 10 0 DEAERO C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc21 ZINC000262323043 356341254 /nfs/dbraw/zinc/34/12/54/356341254.db2.gz WIYUVBIRIFFRKN-KBMXLJTQSA-N 1 0 301.434 2.071 10 0 DEAERO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n(C)n1 ZINC000400327163 283155855 /nfs/dbraw/zinc/15/58/55/283155855.db2.gz CPFWQPLKRISTQE-KBPBESRZSA-N 1 0 322.453 2.464 10 0 DEAERO COC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2N)C1 ZINC000081042089 192219933 /nfs/dbraw/zinc/21/99/33/192219933.db2.gz JNYSGSSMUPFPSU-LLVKDONJSA-N 1 0 311.813 2.219 10 0 DEAERO C[C@H]([NH2+]CCN1CC=CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400340860 283156278 /nfs/dbraw/zinc/15/62/78/283156278.db2.gz FQFWXHFRXDRMNK-HOTGVXAUSA-N 1 0 323.481 2.483 10 0 DEAERO CNC(=O)c1ccn([C@@H]2CCC[N@H+](CCc3cccs3)C2)n1 ZINC000328634045 356464484 /nfs/dbraw/zinc/46/44/84/356464484.db2.gz MKXJXCPTRUSJIH-CYBMUJFWSA-N 1 0 318.446 2.184 10 0 DEAERO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000328602345 356459778 /nfs/dbraw/zinc/45/97/78/356459778.db2.gz BEPNEXGZYSJCMA-RRQGHBQHSA-N 1 0 318.421 2.458 10 0 DEAERO CN(C[C@H]1CCn2ccnc2C1)C(=O)c1cccc2cn[nH]c21 ZINC000328615908 356460505 /nfs/dbraw/zinc/46/05/05/356460505.db2.gz BDTNEXPFANVQKK-LBPRGKRZSA-N 1 0 309.373 2.094 10 0 DEAERO O[C@H](CNc1cc(N[C@H]2CCCOC2)ncn1)c1ccccc1 ZINC000328626265 356462709 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CCOCCOc1ccccc1C(=O)NC1CCC([NH3+])CC1 ZINC000236961604 202095569 /nfs/dbraw/zinc/09/55/69/202095569.db2.gz PQZGVCUAQVWZPT-UHFFFAOYSA-N 1 0 306.406 2.102 10 0 DEAERO CC[C@H]1CC[C@H](NS(=O)(=O)Cc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000086091375 192547970 /nfs/dbraw/zinc/54/79/70/192547970.db2.gz DSZWYISYJJLDCU-KCXAZCMYSA-N 1 0 310.463 2.389 10 0 DEAERO CC[C@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H](C)CS(C)(=O)=O ZINC000086268200 192556930 /nfs/dbraw/zinc/55/69/30/192556930.db2.gz UDSDCEAAKOFBPY-BPUTZDHNSA-N 1 0 316.511 2.052 10 0 DEAERO C[C@@](O)(C[NH3+])Cc1nc2ccc(Br)cc2s1 ZINC000086479262 192574665 /nfs/dbraw/zinc/57/46/65/192574665.db2.gz WBZGIFNWLIHCPY-NSHDSACASA-N 1 0 301.209 2.311 10 0 DEAERO OCCN1CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC000399097539 356721552 /nfs/dbraw/zinc/72/15/52/356721552.db2.gz YZVVTPBVZUVXCC-UHFFFAOYSA-N 1 0 319.268 2.057 10 0 DEAERO CN1CCO[C@H](C[N@H+](C)Cc2cc(Br)cs2)C1 ZINC000404143193 356731203 /nfs/dbraw/zinc/73/12/03/356731203.db2.gz JKCUEVWZXUQGHY-NSHDSACASA-N 1 0 319.268 2.273 10 0 DEAERO CC(C)c1noc([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])n1 ZINC000409424246 356736473 /nfs/dbraw/zinc/73/64/73/356736473.db2.gz XUHSTPJHUGDSQD-GHMZBOCLSA-N 1 0 310.398 2.245 10 0 DEAERO CC[C@@H]1CCC[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000086898300 192600696 /nfs/dbraw/zinc/60/06/96/192600696.db2.gz ODOIBQBPMBQIKL-KGLIPLIRSA-N 1 0 302.484 2.359 10 0 DEAERO CN(Cc1ccccc1)[C@H](C[NH2+]C[C@H](O)C(F)(F)F)C1CC1 ZINC000578642407 356850162 /nfs/dbraw/zinc/85/01/62/356850162.db2.gz FHYLNYDMADVDJG-CABCVRRESA-N 1 0 316.367 2.410 10 0 DEAERO [NH3+][C@@H](Cc1ccccc1Br)[C@H]1CSCCO1 ZINC000086987702 192608269 /nfs/dbraw/zinc/60/82/69/192608269.db2.gz YLZTYPQPGFJNFY-NWDGAFQWSA-N 1 0 302.237 2.451 10 0 DEAERO CC/C=C\CC[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000588476128 540258266 /nfs/dbraw/zinc/25/82/66/540258266.db2.gz HQCBBKRIYYQVKY-PLNGDYQASA-N 1 0 307.482 2.219 10 0 DEAERO CCOCCC[C@H](C[NH2+]CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000087326414 192639807 /nfs/dbraw/zinc/63/98/07/192639807.db2.gz MYAVKFQVZIRYHV-CABCVRRESA-N 1 0 305.484 2.100 10 0 DEAERO O=S(=O)(c1ccccc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581251238 357155735 /nfs/dbraw/zinc/15/57/35/357155735.db2.gz IXHSUINJCRNDCZ-CQSZACIVSA-N 1 0 314.838 2.104 10 0 DEAERO CCC[NH2+]Cc1ccc(F)c(S(=O)(=O)N(C)C2CC2)c1 ZINC000088941175 192662413 /nfs/dbraw/zinc/66/24/13/192662413.db2.gz OJDGUUSCHCVIRF-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO CCN(CC(C)C)S(=O)(=O)c1cc(C[NH2+]C)n(C(C)C)c1 ZINC000088949874 192665627 /nfs/dbraw/zinc/66/56/27/192665627.db2.gz TYFMGTKIUVMQCH-UHFFFAOYSA-N 1 0 315.483 2.455 10 0 DEAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000582015118 357286812 /nfs/dbraw/zinc/28/68/12/357286812.db2.gz HZRGVXUKNLROAX-PMPSAXMXSA-N 1 0 323.408 2.172 10 0 DEAERO C[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C(C)(C)c1ccccc1 ZINC000585754358 357352579 /nfs/dbraw/zinc/35/25/79/357352579.db2.gz JXGMSJPWGLCGDG-UHFFFAOYSA-N 1 0 320.433 2.311 10 0 DEAERO CCc1n[nH]cc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000589111036 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C[NH+](C)[C@H]1CCN(C(=O)c2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000179494250 199045197 /nfs/dbraw/zinc/04/51/97/199045197.db2.gz NFDBOOAFALNWAX-HNNXBMFYSA-N 1 0 318.417 2.418 10 0 DEAERO CC(C)C1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000262426573 535378286 /nfs/dbraw/zinc/37/82/86/535378286.db2.gz FLRMLCSDVCHXIC-RVKKMQEKSA-N 1 0 308.466 2.414 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC[N@@H+]1C ZINC000172619344 291124765 /nfs/dbraw/zinc/12/47/65/291124765.db2.gz UQWFOXUOYFFRGV-ZJOBFFGXSA-N 1 0 318.417 2.156 10 0 DEAERO Cc1cc2c(cc1NC(=O)N1C[C@H]3CCC[N@H+]3C[C@@H]1C)OCO2 ZINC000180099266 199116675 /nfs/dbraw/zinc/11/66/75/199116675.db2.gz QLHKLVBUDIFZDK-QWHCGFSZSA-N 1 0 317.389 2.424 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000237346768 202239749 /nfs/dbraw/zinc/23/97/49/202239749.db2.gz LDWLBJXCXFMHFQ-WBMJQRKESA-N 1 0 315.417 2.092 10 0 DEAERO C[C@H](NC1=[NH+]CCCN1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594673539 358315470 /nfs/dbraw/zinc/31/54/70/358315470.db2.gz OAEQVFDUCIAKHH-RWMBFGLXSA-N 1 0 309.454 2.318 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000180834012 199216226 /nfs/dbraw/zinc/21/62/26/199216226.db2.gz FUQHVEGVDMWXMM-CQSZACIVSA-N 1 0 308.813 2.115 10 0 DEAERO OCC1CC([NH2+]Cc2ccc(I)cc2)C1 ZINC000595001655 358376065 /nfs/dbraw/zinc/37/60/65/358376065.db2.gz ZZPUKWNPQAKVIS-UHFFFAOYSA-N 1 0 317.170 2.152 10 0 DEAERO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000180928471 199229660 /nfs/dbraw/zinc/22/96/60/199229660.db2.gz JWJJERDQRBLTPM-QWHCGFSZSA-N 1 0 324.446 2.343 10 0 DEAERO Cc1cnn(CC[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c1 ZINC000596202997 358638917 /nfs/dbraw/zinc/63/89/17/358638917.db2.gz JQTPVRULLHNBPC-UHFFFAOYSA-N 1 0 318.465 2.352 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181201219 199264368 /nfs/dbraw/zinc/26/43/68/199264368.db2.gz IVNJDUSLNVCHKM-WMLDXEAASA-N 1 0 319.449 2.106 10 0 DEAERO C[NH2+]Cc1csc(S(=O)(=O)NC2(C)CCCCC2)c1 ZINC000089013105 192696555 /nfs/dbraw/zinc/69/65/55/192696555.db2.gz NKVBCBCIXGPFHL-UHFFFAOYSA-N 1 0 302.465 2.469 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(C)CC(C)(C)C)cn1CC ZINC000089013727 192698648 /nfs/dbraw/zinc/69/86/48/192698648.db2.gz RXEVTULFUDDYJX-UHFFFAOYSA-N 1 0 315.483 2.284 10 0 DEAERO C[C@@H]1CCCN(S(=O)(=O)c2cc(C[NH3+])ccc2F)CC1 ZINC000089036791 192712552 /nfs/dbraw/zinc/71/25/52/192712552.db2.gz SYVDZRPBKDLLGW-LLVKDONJSA-N 1 0 300.399 2.095 10 0 DEAERO COc1ccccc1[C@H](O)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000186122932 199918068 /nfs/dbraw/zinc/91/80/68/199918068.db2.gz OGKJEQVBMCCDHD-OAHLLOKOSA-N 1 0 307.390 2.004 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CC[C@@H](C)[S@@](C)=O)c2ccccc21 ZINC000598679100 359287950 /nfs/dbraw/zinc/28/79/50/359287950.db2.gz XCXWCSCVYSTBIO-PYDTXJQDSA-N 1 0 308.447 2.231 10 0 DEAERO Cc1nn(C)c(CO[C@@H]2CCC[C@@H]2C[NH3+])c1Br ZINC000089234931 192749059 /nfs/dbraw/zinc/74/90/59/192749059.db2.gz JXRBJCODMJQUIL-MWLCHTKSSA-N 1 0 302.216 2.135 10 0 DEAERO CC[C@@H](C[NH2+]CCOC)Cc1c(Br)c(C)nn1C ZINC000089255774 192751617 /nfs/dbraw/zinc/75/16/17/192751617.db2.gz CTIRWLISYLUDLS-LLVKDONJSA-N 1 0 318.259 2.296 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@](C)([NH3+])CCOC ZINC000089292276 192761250 /nfs/dbraw/zinc/76/12/50/192761250.db2.gz NCCWANVSTUWMBW-LBPRGKRZSA-N 1 0 304.232 2.270 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH3+])c1ccncn1 ZINC000089296963 192761550 /nfs/dbraw/zinc/76/15/50/192761550.db2.gz NMHSONPAUPLFEP-VIFPVBQESA-N 1 0 310.199 2.006 10 0 DEAERO Cc1csc([C@H](C)CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000186807118 200014078 /nfs/dbraw/zinc/01/40/78/200014078.db2.gz GHHVXKKBGZEXCE-TZMCWYRMSA-N 1 0 322.478 2.435 10 0 DEAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000186827736 200018027 /nfs/dbraw/zinc/01/80/27/200018027.db2.gz ZIWFEPGFWINTNE-ZANVPECISA-N 1 0 317.216 2.486 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)CN(C)c1ccc(Cl)cn1 ZINC000600439506 359743246 /nfs/dbraw/zinc/74/32/46/359743246.db2.gz JJEUACXDAXFVQJ-AWEZNQCLSA-N 1 0 324.856 2.162 10 0 DEAERO c1coc([C@H]2CC[N@@H+](CCc3nnnn3-c3ccccc3)C2)c1 ZINC000600684475 359800655 /nfs/dbraw/zinc/80/06/55/359800655.db2.gz AJLOAQJGDDXLFL-AWEZNQCLSA-N 1 0 309.373 2.287 10 0 DEAERO CC[C@@]1(C)CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000188682837 200286993 /nfs/dbraw/zinc/28/69/93/200286993.db2.gz YUOORCLENXYFHG-AEFFLSMTSA-N 1 0 304.434 2.187 10 0 DEAERO COc1ccc2[nH]c(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2c1 ZINC000189283513 200375750 /nfs/dbraw/zinc/37/57/50/200375750.db2.gz HNILIFXRPGFWDQ-GFCCVEGCSA-N 1 0 301.390 2.200 10 0 DEAERO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1COc2ccccc21 ZINC000189151985 200356729 /nfs/dbraw/zinc/35/67/29/200356729.db2.gz RDVLJLFWQGETBY-OAHLLOKOSA-N 1 0 305.422 2.493 10 0 DEAERO O=C(C[C@@H]1CCCc2ccccc21)NCC[N@@H+]1CCCOCC1 ZINC000189425700 200399918 /nfs/dbraw/zinc/39/99/18/200399918.db2.gz MGGRNYURDMEJHA-KRWDZBQOSA-N 1 0 316.445 2.335 10 0 DEAERO NC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000281186150 216138022 /nfs/dbraw/zinc/13/80/22/216138022.db2.gz IAFDPQYAQUYMQF-BBWFWOEESA-N 1 0 302.418 2.301 10 0 DEAERO CC[NH+](CC)C[C@H](C)NC(=O)CN(C)c1ccc(Cl)cn1 ZINC000603302620 360784722 /nfs/dbraw/zinc/78/47/22/360784722.db2.gz SEWXIPWXKURIHY-LBPRGKRZSA-N 1 0 312.845 2.018 10 0 DEAERO COC(=O)c1cc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)ncn1 ZINC000603327376 360793541 /nfs/dbraw/zinc/79/35/41/360793541.db2.gz CIBILWLVEJZDLP-ZDUSSCGKSA-N 1 0 314.389 2.196 10 0 DEAERO CC[C@H](C[NH+]1CCCC1)NC(=O)Cn1ncc2ccccc21 ZINC000605516813 360974783 /nfs/dbraw/zinc/97/47/83/360974783.db2.gz GFCHOBWZMKRNRF-OAHLLOKOSA-N 1 0 300.406 2.027 10 0 DEAERO c1c[nH]c([C@H]2CCC[N@@H+](Cc3cnnn3Cc3ccccc3)C2)n1 ZINC000292555749 223146207 /nfs/dbraw/zinc/14/62/07/223146207.db2.gz NCGIKXHEQLOJSN-INIZCTEOSA-N 1 0 322.416 2.429 10 0 DEAERO C[NH+](C)CCn1cc(NCc2cnc3ccc(Cl)cn23)cn1 ZINC000606469849 361013222 /nfs/dbraw/zinc/01/32/22/361013222.db2.gz VEJHMWWOGSCJRG-UHFFFAOYSA-N 1 0 318.812 2.358 10 0 DEAERO Cn1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000607538318 361094696 /nfs/dbraw/zinc/09/46/96/361094696.db2.gz PDJGMXTVTHPEHN-IUODEOHRSA-N 1 0 318.446 2.295 10 0 DEAERO c1cc2c(ccnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000608090340 361170105 /nfs/dbraw/zinc/17/01/05/361170105.db2.gz GVFJZGCXAGWJGH-ZDUSSCGKSA-N 1 0 303.431 2.455 10 0 DEAERO Cc1cccnc1C(F)(F)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000192708376 200926538 /nfs/dbraw/zinc/92/65/38/200926538.db2.gz BAAJXEIQSKBSHH-STQMWFEESA-N 1 0 311.376 2.327 10 0 DEAERO C[C@@H]([NH2+]CCO[C@@H]1CCCCO1)c1ccc(-n2cncn2)cc1 ZINC000193083815 200988581 /nfs/dbraw/zinc/98/85/81/200988581.db2.gz WWEUASYUGWJOBP-RHSMWYFYSA-N 1 0 316.405 2.461 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccoc1Br ZINC000193323245 201029207 /nfs/dbraw/zinc/02/92/07/201029207.db2.gz KRBRPFHDVPZLDG-VHSXEESVSA-N 1 0 313.195 2.351 10 0 DEAERO COc1ncccc1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000193323489 201029628 /nfs/dbraw/zinc/02/96/28/201029628.db2.gz PZNRDWQIHFJMIP-AWEZNQCLSA-N 1 0 319.449 2.463 10 0 DEAERO Cn1nc(Br)cc1C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717624984 799426360 /nfs/dbraw/zinc/42/63/60/799426360.db2.gz KTGDASUOUHYKHP-JTQLQIEISA-N 1 0 302.216 2.087 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000193514830 201065565 /nfs/dbraw/zinc/06/55/65/201065565.db2.gz SOQDHASLWYTHSY-QMTHXVAHSA-N 1 0 306.793 2.373 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000090490792 192923642 /nfs/dbraw/zinc/92/36/42/192923642.db2.gz XXKOYDFIZUZDLC-NILFDRSVSA-N 1 0 310.825 2.484 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000610763959 361463090 /nfs/dbraw/zinc/46/30/90/361463090.db2.gz UZXLMCZDCWXEAU-HUUCEWRRSA-N 1 0 324.465 2.441 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2Cl)C1 ZINC000194149210 201187120 /nfs/dbraw/zinc/18/71/20/201187120.db2.gz HQNBOHJFXFTUKK-LBPRGKRZSA-N 1 0 323.824 2.187 10 0 DEAERO CCN(CC)C(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611404931 361593292 /nfs/dbraw/zinc/59/32/92/361593292.db2.gz FANRWLVYYQQPDI-INIZCTEOSA-N 1 0 320.433 2.385 10 0 DEAERO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1nnc(C)n1C1CC1 ZINC000611431733 361598350 /nfs/dbraw/zinc/59/83/50/361598350.db2.gz JHQKURGJCICXEW-XJKSGUPXSA-N 1 0 306.410 2.133 10 0 DEAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2ccon2)C1 ZINC000195265687 201369889 /nfs/dbraw/zinc/36/98/89/201369889.db2.gz LOIKVTAJZACEAF-CYBMUJFWSA-N 1 0 306.435 2.393 10 0 DEAERO [NH3+]C1CCN(C[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000090900027 192943845 /nfs/dbraw/zinc/94/38/45/192943845.db2.gz YWAOWMOHURAPJD-CYBMUJFWSA-N 1 0 311.223 2.176 10 0 DEAERO c1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)n(CCc2ccccc2)n1 ZINC000621340683 364360116 /nfs/dbraw/zinc/36/01/16/364360116.db2.gz NKULFHCXGLPQEF-QGZVFWFLSA-N 1 0 321.428 2.496 10 0 DEAERO c1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)n(CCc2ccccc2)n1 ZINC000621355841 364367398 /nfs/dbraw/zinc/36/73/98/364367398.db2.gz YZOLCHLHJRRKTD-INIZCTEOSA-N 1 0 321.428 2.496 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+]C2CCC(C(N)=O)CC2)c2ccccc21 ZINC000621754657 364536581 /nfs/dbraw/zinc/53/65/81/364536581.db2.gz JNLAFIOPDHUBFS-ZBCRRDGASA-N 1 0 315.417 2.118 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+]CCO[C@H]2CC2(F)F)c2ccccc21 ZINC000621765390 364538814 /nfs/dbraw/zinc/53/88/14/364538814.db2.gz XUEQFXPSFKTGKG-HIFRSBDPSA-N 1 0 310.344 2.498 10 0 DEAERO Cn1cncc1[C@H]1C[C@H]([NH2+]Cc2cccc3nccn32)CCO1 ZINC000275455620 212344821 /nfs/dbraw/zinc/34/48/21/212344821.db2.gz GUZPFWZSYTTZJK-CZUORRHYSA-N 1 0 311.389 2.078 10 0 DEAERO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC(c2cc[nH]n2)CC1 ZINC000262639723 296075394 /nfs/dbraw/zinc/07/53/94/296075394.db2.gz JSLKNRLBVMJXQA-FMKPAKJESA-N 1 0 302.422 2.036 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CC12COC2 ZINC000449359096 240397135 /nfs/dbraw/zinc/39/71/35/240397135.db2.gz GGLUQTSOLOCJIR-AWEZNQCLSA-N 1 0 309.793 2.352 10 0 DEAERO CS(=O)(=O)CC1(CC[NH2+]Cc2ccncc2Cl)CC1 ZINC000623562603 365080047 /nfs/dbraw/zinc/08/00/47/365080047.db2.gz 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ZINC000091511780 193066640 /nfs/dbraw/zinc/06/66/40/193066640.db2.gz JMURDQWOHGQZAJ-OAHLLOKOSA-N 1 0 322.424 2.390 10 0 DEAERO c1cc(CN2CCO[C@@H](C[NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)ccn1 ZINC000624264217 365360386 /nfs/dbraw/zinc/36/03/86/365360386.db2.gz WEPUNBZTUJGUKK-FJIDUMEYSA-N 1 0 301.434 2.061 10 0 DEAERO COc1ccc(Cl)cc1CC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714084 193096325 /nfs/dbraw/zinc/09/63/25/193096325.db2.gz MACBGDHFWXRMKW-CZUORRHYSA-N 1 0 309.793 2.323 10 0 DEAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1F)[C@@H]1CN(C)CCO1 ZINC000091719379 193097244 /nfs/dbraw/zinc/09/72/44/193097244.db2.gz PXIQDLOKVMJUOR-SWLSCSKDSA-N 1 0 302.340 2.475 10 0 DEAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000624235229 365343602 /nfs/dbraw/zinc/34/36/02/365343602.db2.gz GXFHMZLSBRESJJ-HZSPNIEDSA-N 1 0 312.207 2.176 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccccc1F ZINC000091850598 193118183 /nfs/dbraw/zinc/11/81/83/193118183.db2.gz RIYKBRXDLJKPNJ-UHFFFAOYSA-N 1 0 300.399 2.106 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(Cl)c1 ZINC000624406650 365411790 /nfs/dbraw/zinc/41/17/90/365411790.db2.gz IIBMKECQLGWQOS-WDEREUQCSA-N 1 0 302.827 2.067 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(Cl)c1 ZINC000624406648 365412192 /nfs/dbraw/zinc/41/21/92/365412192.db2.gz IIBMKECQLGWQOS-MNOVXSKESA-N 1 0 302.827 2.067 10 0 DEAERO C[C@@](O)(c1ccccc1Br)[C@@]1(C[NH3+])CCOC1 ZINC000091905898 193124859 /nfs/dbraw/zinc/12/48/59/193124859.db2.gz OIBAEWBJJYMIEK-CHWSQXEVSA-N 1 0 300.196 2.022 10 0 DEAERO [NH3+]CC1([C@@H](O)c2ccccc2Br)CCOCC1 ZINC000091911431 193124882 /nfs/dbraw/zinc/12/48/82/193124882.db2.gz MSDPDEYDHXSXBH-LBPRGKRZSA-N 1 0 300.196 2.238 10 0 DEAERO [NH3+]CC1([C@@H](O)c2ccc(Br)cc2)CCOCC1 ZINC000091909469 193125044 /nfs/dbraw/zinc/12/50/44/193125044.db2.gz RIROWJZCNWFZLR-LBPRGKRZSA-N 1 0 300.196 2.238 10 0 DEAERO C[C@@](O)(c1ccc(Br)cc1)[C@@]1(C[NH3+])CCOC1 ZINC000091905810 193125296 /nfs/dbraw/zinc/12/52/96/193125296.db2.gz XUGKHRZTMDFGRK-CHWSQXEVSA-N 1 0 300.196 2.022 10 0 DEAERO COCC[C@H](C)[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092050166 193148657 /nfs/dbraw/zinc/14/86/57/193148657.db2.gz BONGHDQFSOOPCV-VIFPVBQESA-N 1 0 313.199 2.006 10 0 DEAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@@H]1CN(C)CCO1 ZINC000092054307 193149978 /nfs/dbraw/zinc/14/99/78/193149978.db2.gz TWYKIGFDORXHJP-LBPRGKRZSA-N 1 0 319.232 2.422 10 0 DEAERO O=C(c1ccc(OCC2CC2)cc1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449736782 241015246 /nfs/dbraw/zinc/01/52/46/241015246.db2.gz XMNYZHQFDIUAQL-DOTOQJQBSA-N 1 0 300.402 2.299 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)[C@@H](C)Oc2ccccn2)CC1 ZINC000449947991 241290619 /nfs/dbraw/zinc/29/06/19/241290619.db2.gz KTDBLJVNLUAXJM-CQSZACIVSA-N 1 0 305.422 2.087 10 0 DEAERO COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000246305496 291374204 /nfs/dbraw/zinc/37/42/04/291374204.db2.gz HNWACBQLLGVJDC-BZUAXINKSA-N 1 0 324.465 2.202 10 0 DEAERO C[C@@H](NC(=O)[C@H]1CCOC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000248840050 296101753 /nfs/dbraw/zinc/10/17/53/296101753.db2.gz FNVPUIMISCJKLL-TXCZRRACSA-N 1 0 304.434 2.467 10 0 DEAERO CO[C@H]1CN(C(=O)c2ccc(Cl)c(F)c2)[C@](C)(C[NH3+])C1 ZINC000630376942 367619070 /nfs/dbraw/zinc/61/90/70/367619070.db2.gz YURDHHJGAPWPMH-YGRLFVJLSA-N 1 0 300.761 2.057 10 0 DEAERO COC[C@@H]([NH3+])Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000630587769 367741387 /nfs/dbraw/zinc/74/13/87/367741387.db2.gz ZCQVUNJIIMLWLV-QMMMGPOBSA-N 1 0 301.177 2.090 10 0 DEAERO COC[C@H]([NH3+])Cc1cn(Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000630587044 367741617 /nfs/dbraw/zinc/74/16/17/367741617.db2.gz VXLJVMDPVXAEQQ-SNVBAGLBSA-N 1 0 315.204 2.149 10 0 DEAERO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000092101888 193159854 /nfs/dbraw/zinc/15/98/54/193159854.db2.gz QGCGARCUZMIRKS-HNNXBMFYSA-N 1 0 312.417 2.377 10 0 DEAERO C[NH2+]Cc1cc(F)c(C)c(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1 ZINC000092113970 193161203 /nfs/dbraw/zinc/16/12/03/193161203.db2.gz SZQBFOIMIMJARL-GHMZBOCLSA-N 1 0 314.426 2.130 10 0 DEAERO CC[NH2+]Cc1cccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1C ZINC000092113417 193161218 /nfs/dbraw/zinc/16/12/18/193161218.db2.gz GGBLQNTWWYXRAL-STQMWFEESA-N 1 0 310.463 2.381 10 0 DEAERO C[NH2+]CCCc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)cc1 ZINC000092113937 193161704 /nfs/dbraw/zinc/16/17/04/193161704.db2.gz UYCMYFOSLPEBTP-OKILXGFUSA-N 1 0 310.463 2.115 10 0 DEAERO CC[C@H](C)CN(C)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115652 193163242 /nfs/dbraw/zinc/16/32/42/193163242.db2.gz YQICBIJIVOXPFE-NSHDSACASA-N 1 0 302.415 2.212 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC[C@H]2C)c(F)c1 ZINC000092116227 193164108 /nfs/dbraw/zinc/16/41/08/193164108.db2.gz ZYZBGTOAUWNRLV-GFCCVEGCSA-N 1 0 314.426 2.498 10 0 DEAERO c1c(C[NH2+]CCCc2ccccc2)nnn1C[C@@H]1CCOC1 ZINC000631031539 367977051 /nfs/dbraw/zinc/97/70/51/367977051.db2.gz AATQWCUBKCHLKT-INIZCTEOSA-N 1 0 300.406 2.037 10 0 DEAERO c1cc(OCCN2CCOCC2)ccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000631165132 368056191 /nfs/dbraw/zinc/05/61/91/368056191.db2.gz WUTWITMWKVCFOZ-BCDXTJNWSA-N 1 0 316.445 2.286 10 0 DEAERO Fc1cc(Br)cnc1N1CC([NH+]2CCCC2)C1 ZINC000631353087 368170632 /nfs/dbraw/zinc/17/06/32/368170632.db2.gz CNNMTBLNNDQYMZ-UHFFFAOYSA-N 1 0 300.175 2.268 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)C1 ZINC000092204587 193172893 /nfs/dbraw/zinc/17/28/93/193172893.db2.gz UWWJWUGWZZBQRA-MCIONIFRSA-N 1 0 306.431 2.159 10 0 DEAERO O=C([C@@H]1Cc2ccccc2S1)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000092231907 193177726 /nfs/dbraw/zinc/17/77/26/193177726.db2.gz SZJJHLUXVGOZKO-DZKIICNBSA-N 1 0 302.443 2.446 10 0 DEAERO c1ccc(Cc2noc(CN3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886521 368441265 /nfs/dbraw/zinc/44/12/65/368441265.db2.gz IHGJKQMTGISAOU-JKSUJKDBSA-N 1 0 312.417 2.234 10 0 DEAERO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(OCc2ccccc2)c1 ZINC000261546616 203075763 /nfs/dbraw/zinc/07/57/63/203075763.db2.gz LBEORZKLQVXURQ-PIIMJCKOSA-N 1 0 308.381 2.213 10 0 DEAERO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261658212 203089384 /nfs/dbraw/zinc/08/93/84/203089384.db2.gz FNJHDEFMBPHEII-HIFRSBDPSA-N 1 0 319.405 2.034 10 0 DEAERO C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261893727 203145110 /nfs/dbraw/zinc/14/51/10/203145110.db2.gz UGHZEUNSAIHBCC-QLEMLULZSA-N 1 0 322.474 2.333 10 0 DEAERO O=C(N[C@@H]1COc2ccccc2C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246707000 284134010 /nfs/dbraw/zinc/13/40/10/284134010.db2.gz NNNIQZCKMPFLRY-HNKHHVNMSA-N 1 0 300.402 2.027 10 0 DEAERO O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000262165245 203216910 /nfs/dbraw/zinc/21/69/10/203216910.db2.gz JNOSYACTMZZSSC-UKRRQHHQSA-N 1 0 308.809 2.034 10 0 DEAERO CC[C@H](C)Oc1cc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)ccn1 ZINC000262356607 203273104 /nfs/dbraw/zinc/27/31/04/203273104.db2.gz IBFOPVTVXPPBDQ-YDHLFZDLSA-N 1 0 305.422 2.263 10 0 DEAERO CC[NH2+]C[C@@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000093165535 193209935 /nfs/dbraw/zinc/20/99/35/193209935.db2.gz VAHKYPNFAUFOEJ-OCCSQVGLSA-N 1 0 301.839 2.468 10 0 DEAERO C[S@](=O)Cc1cc(NC(=O)[C@@H]2CCCC[NH2+]2)ccc1Cl ZINC000262483913 203306106 /nfs/dbraw/zinc/30/61/06/203306106.db2.gz SYSKLFROWSSISX-RBZFPXEDSA-N 1 0 314.838 2.299 10 0 DEAERO O=C(C1CC[NH2+]CC1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000262454084 203299003 /nfs/dbraw/zinc/29/90/03/203299003.db2.gz GZWUZAGRTNPMMN-UONOGXRCSA-N 1 0 308.447 2.162 10 0 DEAERO O=S1(=O)CC[C@H](C2(CCSc3ccccc3)C[NH2+]C2)C1 ZINC000093195487 193214490 /nfs/dbraw/zinc/21/44/90/193214490.db2.gz XCRCYJASBFCSFG-ZDUSSCGKSA-N 1 0 311.472 2.193 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000262524239 203319600 /nfs/dbraw/zinc/31/96/00/203319600.db2.gz FYCVIKQVJPGTQB-JSGCOSHPSA-N 1 0 302.777 2.146 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093208586 193216476 /nfs/dbraw/zinc/21/64/76/193216476.db2.gz SYUMLOOSCOQYCO-TUAOUCFPSA-N 1 0 302.415 2.029 10 0 DEAERO CCCNS(=O)(=O)c1ccc(O[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093219982 193218405 /nfs/dbraw/zinc/21/84/05/193218405.db2.gz LUIWWYRHTYWYCH-JSGCOSHPSA-N 1 0 312.435 2.024 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](Oc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000093220205 193218628 /nfs/dbraw/zinc/21/86/28/193218628.db2.gz JNSOQKVESNHINC-GXSJLCMTSA-N 1 0 305.346 2.332 10 0 DEAERO COC(C[C@@](C)(C[NH3+])N(C)[C@@H](C)Cc1cccs1)OC ZINC000093267291 193222722 /nfs/dbraw/zinc/22/27/22/193222722.db2.gz XCEIRMJRTIVGAV-WFASDCNBSA-N 1 0 300.468 2.337 10 0 DEAERO CCC(CC)N(CC(C)C)S(=O)(=O)c1c[nH]c(C[NH3+])c1 ZINC000093326643 193233760 /nfs/dbraw/zinc/23/37/60/193233760.db2.gz AMQGHBOZXUWXJF-UHFFFAOYSA-N 1 0 301.456 2.309 10 0 DEAERO C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000262613111 203351415 /nfs/dbraw/zinc/35/14/15/203351415.db2.gz DUGAFPPIXYAERP-VZIIKCOPSA-N 1 0 308.447 2.071 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)CCc2cccs2)cc1C[NH3+] ZINC000093294695 193226347 /nfs/dbraw/zinc/22/63/47/193226347.db2.gz NUVUHSKUICSFOU-UHFFFAOYSA-N 1 0 324.471 2.378 10 0 DEAERO COCC[NH2+]Cc1c[nH]nc1-c1c(Cl)nc2ccccn21 ZINC000093296751 193226422 /nfs/dbraw/zinc/22/64/22/193226422.db2.gz KWMUCRWZORWSRL-UHFFFAOYSA-N 1 0 305.769 2.114 10 0 DEAERO CCC[NH2+]Cc1c[nH]nc1-c1ccc(S(C)(=O)=O)c(F)c1 ZINC000093295886 193226634 /nfs/dbraw/zinc/22/66/34/193226634.db2.gz UTBZDODVGOXRFO-UHFFFAOYSA-N 1 0 311.382 2.119 10 0 DEAERO C[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCc1cccs1 ZINC000093294701 193226832 /nfs/dbraw/zinc/22/68/32/193226832.db2.gz BZSAGRNEEUYUTH-UHFFFAOYSA-N 1 0 324.471 2.331 10 0 DEAERO C[C@@H](Cc1cccs1)N(C)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000093294586 193226995 /nfs/dbraw/zinc/22/69/95/193226995.db2.gz AAUINYORFRVFBF-LBPRGKRZSA-N 1 0 324.471 2.459 10 0 DEAERO CN(CC1CC[NH+](C)CC1)c1ncc(N)cc1Br ZINC000093433155 193250478 /nfs/dbraw/zinc/25/04/78/193250478.db2.gz LHQROLGHZJVETL-UHFFFAOYSA-N 1 0 313.243 2.204 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(N2CCCC2)nc1 ZINC000093437435 193252057 /nfs/dbraw/zinc/25/20/57/193252057.db2.gz RUFZCIKUAMSCRG-DOTOQJQBSA-N 1 0 300.450 2.350 10 0 DEAERO Cc1cc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)ccc1O ZINC000262694229 203383608 /nfs/dbraw/zinc/38/36/08/203383608.db2.gz AUQGKVHBSGANDG-ZDUSSCGKSA-N 1 0 300.362 2.074 10 0 DEAERO COc1ccc([C@H]2CNC(=[NH2+])N2C[C@H]2CCCO2)cc1Cl ZINC000093377814 193241187 /nfs/dbraw/zinc/24/11/87/193241187.db2.gz LRXKKJQKZZJBEB-DGCLKSJQSA-N 1 0 309.797 2.199 10 0 DEAERO NC1=[NH+]C[C@H]([C@H]2CCCOC2)N1c1cccc(Br)c1 ZINC000093387197 193241668 /nfs/dbraw/zinc/24/16/68/193241668.db2.gz WOSIZRIJQMBXHK-GXFFZTMASA-N 1 0 324.222 2.379 10 0 DEAERO CC[C@]1(COC)C[NH+]=C(N)N1c1ccc(Br)cc1 ZINC000093386479 193241882 /nfs/dbraw/zinc/24/18/82/193241882.db2.gz LXUXOHXPAHNADJ-CYBMUJFWSA-N 1 0 312.211 2.379 10 0 DEAERO COc1ccc([C@@H]2CNC(=[NH2+])N2CC2CC2)c(Cl)c1OC ZINC000093393599 193242976 /nfs/dbraw/zinc/24/29/76/193242976.db2.gz OACFSZROCMOCFT-NSHDSACASA-N 1 0 309.797 2.439 10 0 DEAERO CCC1(CC)CN(CC(C)(C)S(C)(=O)=O)[C@H](C(C)C)C[NH2+]1 ZINC000093525887 193264426 /nfs/dbraw/zinc/26/44/26/193264426.db2.gz LPDFMSSRVVWFKG-AWEZNQCLSA-N 1 0 318.527 2.298 10 0 DEAERO COCCCSCC[C@H]1CCC[C@@]1([NH2+]C(C)C)C(N)=O ZINC000093631109 193277419 /nfs/dbraw/zinc/27/74/19/193277419.db2.gz ANYLWNWFXDRWDQ-HIFRSBDPSA-N 1 0 302.484 2.168 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSCCCOC ZINC000093631129 193277622 /nfs/dbraw/zinc/27/76/22/193277622.db2.gz GPPDMLNDKOVKNJ-HIFRSBDPSA-N 1 0 302.484 2.170 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000093696238 193291812 /nfs/dbraw/zinc/29/18/12/193291812.db2.gz QPNNCHGPEAXIRY-ZDUSSCGKSA-N 1 0 316.854 2.101 10 0 DEAERO C[C@@H]1CCC[C@]([NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@@H]1C ZINC000093699253 193293298 /nfs/dbraw/zinc/29/32/98/193293298.db2.gz CJKSRHKFFLIGDY-KBXIAJHMSA-N 1 0 302.484 2.202 10 0 DEAERO C[NH2+]C[C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093701627 193294828 /nfs/dbraw/zinc/29/48/28/193294828.db2.gz WZHRENGFGHFVLE-GOEBONIOSA-N 1 0 310.463 2.051 10 0 DEAERO CC(C)(C)[NH2+]CC1(C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093701642 193294901 /nfs/dbraw/zinc/29/49/01/193294901.db2.gz PYVWDPXRQQOQQW-CYBMUJFWSA-N 1 0 302.484 2.216 10 0 DEAERO CC(C)(C)[NH2+]CC(C)(C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701480 193295020 /nfs/dbraw/zinc/29/50/20/193295020.db2.gz XRFTUWXYOZJYJC-CYBMUJFWSA-N 1 0 304.500 2.462 10 0 DEAERO CCC[C@H](C[NH2+]C(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701375 193295113 /nfs/dbraw/zinc/29/51/13/193295113.db2.gz ITYACBLTEJABRQ-GJZGRUSLSA-N 1 0 304.500 2.462 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC000093740218 193298269 /nfs/dbraw/zinc/29/82/69/193298269.db2.gz SLUGAWACDPOIJQ-CQSZACIVSA-N 1 0 300.805 2.368 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H](n2ccnc2-c2cccs2)C1 ZINC000093759423 193301730 /nfs/dbraw/zinc/30/17/30/193301730.db2.gz VXCBUWBWXHXLHQ-XHDPSFHLSA-N 1 0 304.419 2.170 10 0 DEAERO CCN[C@@]1(C(=O)OC)CCC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756622 193301990 /nfs/dbraw/zinc/30/19/90/193301990.db2.gz CTWYVPBSOZPPBL-AAEUAGOBSA-N 1 0 310.360 2.335 10 0 DEAERO Cc1nnc(S[C@@H]2CCC[C@]([NH2+]C(C)C)(C(N)=O)C2)s1 ZINC000093778416 193305681 /nfs/dbraw/zinc/30/56/81/193305681.db2.gz IXOMVSTXLAOIGY-ZWNOBZJWSA-N 1 0 314.480 2.103 10 0 DEAERO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)ccc1-n1cncn1 ZINC000093643775 193282386 /nfs/dbraw/zinc/28/23/86/193282386.db2.gz WIPCLKWERIDCQP-NVXWUHKLSA-N 1 0 313.449 2.490 10 0 DEAERO CC[NH2+][C@H](c1cscc1Br)[C@H]1CN(C)CCO1 ZINC000093655001 193284904 /nfs/dbraw/zinc/28/49/04/193284904.db2.gz PDJGZYOFZLSORL-VXGBXAGGSA-N 1 0 319.268 2.492 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC000094005189 193338444 /nfs/dbraw/zinc/33/84/44/193338444.db2.gz GIEXGKMKGWKHCI-LOWVWBTDSA-N 1 0 309.435 2.207 10 0 DEAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)/C=C/c1ccccc1 ZINC000094006502 193338672 /nfs/dbraw/zinc/33/86/72/193338672.db2.gz ZDNSRAUNGRFLGY-ZHACJKMWSA-N 1 0 308.447 2.339 10 0 DEAERO CC[NH2+][C@]1(C(=O)[O-])CC[C@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093831886 193314232 /nfs/dbraw/zinc/31/42/32/193314232.db2.gz ZSCVPCDCCNJOHQ-GMXVVIOVSA-N 1 0 308.344 2.246 10 0 DEAERO CC(C)[NH2+][C@@]1(CO)CC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093859906 193320251 /nfs/dbraw/zinc/32/02/51/193320251.db2.gz DAPJFKNIEHQWJV-DOMZBBRYSA-N 1 0 306.435 2.103 10 0 DEAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@H]1CN(C)CCN1C ZINC000093895497 193325595 /nfs/dbraw/zinc/32/55/95/193325595.db2.gz MZOSCTHQNVASSY-JKSUJKDBSA-N 1 0 313.848 2.246 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccncc1Cl)[C@H]1CN(CC)CCO1 ZINC000093915311 193328512 /nfs/dbraw/zinc/32/85/12/193328512.db2.gz MCPRZOVTZNKJDV-JKSUJKDBSA-N 1 0 311.857 2.366 10 0 DEAERO C[NH2+][C@H](c1cscc1Br)[C@@H]1CN(C)CCN1C ZINC000093938064 193330661 /nfs/dbraw/zinc/33/06/61/193330661.db2.gz HTOCEBOKQFJVDI-NWDGAFQWSA-N 1 0 318.284 2.017 10 0 DEAERO CC[C@H](CC[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000093966311 193331714 /nfs/dbraw/zinc/33/17/14/193331714.db2.gz NLSGTNMRCDNWSV-SECBINFHSA-N 1 0 311.179 2.173 10 0 DEAERO Cn1cnnc1CC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000093982334 193333926 /nfs/dbraw/zinc/33/39/26/193333926.db2.gz GFEKPDKQZHUOFM-UHFFFAOYSA-N 1 0 313.174 2.049 10 0 DEAERO Nc1ccc(N2CCN(c3ccccc3Cl)CC2)[nH+]c1N ZINC000094259903 193355247 /nfs/dbraw/zinc/35/52/47/193355247.db2.gz NTNBOQPHLKEQQE-UHFFFAOYSA-N 1 0 303.797 2.226 10 0 DEAERO CC[NH2+][C@H]1[C@@H](C[NH+](CCOC)CCOC)CCCC1(C)C ZINC000094287857 193355815 /nfs/dbraw/zinc/35/58/15/193355815.db2.gz JVSSRRNHEBDSET-CVEARBPZSA-N 1 0 300.487 2.386 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CCS(C)(=O)=O ZINC000094297393 193356535 /nfs/dbraw/zinc/35/65/35/193356535.db2.gz VOILHYLVCXBHMJ-UONOGXRCSA-N 1 0 318.870 2.095 10 0 DEAERO CCC[NH2+][C@@H]1[C@H](CN(C)CCS(C)(=O)=O)CCCC1(C)C ZINC000094300553 193358713 /nfs/dbraw/zinc/35/87/13/193358713.db2.gz RLYZCRAWSLZNAV-LSDHHAIUSA-N 1 0 318.527 2.157 10 0 DEAERO CC[NH+](CC)CCNc1nc(C(F)(F)F)ccc1C(N)=S ZINC000094335846 193360623 /nfs/dbraw/zinc/36/06/23/193360623.db2.gz OACAIFJIDQARNL-UHFFFAOYSA-N 1 0 320.384 2.488 10 0 DEAERO C[C@H]1CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)CC[C@H]1[NH3+] ZINC000094340278 193361974 /nfs/dbraw/zinc/36/19/74/193361974.db2.gz MEDHEPMPWSXQCD-NTSWFWBYSA-N 1 0 308.250 2.191 10 0 DEAERO NC(=O)c1c(Cl)cccc1N(CC1CC[NH2+]CC1)C1CC1 ZINC000094044665 193340616 /nfs/dbraw/zinc/34/06/16/193340616.db2.gz QMQQERCZRKHGKQ-UHFFFAOYSA-N 1 0 307.825 2.407 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(C)c(Br)cn1 ZINC000094063635 193342673 /nfs/dbraw/zinc/34/26/73/193342673.db2.gz FNXSCRBUVLPBQI-VIFPVBQESA-N 1 0 300.200 2.466 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(C)c(Br)cn1 ZINC000094063636 193342744 /nfs/dbraw/zinc/34/27/44/193342744.db2.gz FNXSCRBUVLPBQI-SECBINFHSA-N 1 0 300.200 2.466 10 0 DEAERO CC(C)(C[C@H]([NH3+])c1ccc(F)c(Br)c1)C(N)=O ZINC000094071944 193342954 /nfs/dbraw/zinc/34/29/54/193342954.db2.gz QVBSEAZMIMCMPW-JTQLQIEISA-N 1 0 303.175 2.490 10 0 DEAERO C[C@@H](CC(N)=O)C[C@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000094071924 193342998 /nfs/dbraw/zinc/34/29/98/193342998.db2.gz RJZQFUBUDXUQQZ-HQJQHLMTSA-N 1 0 303.175 2.490 10 0 DEAERO C[N@H+](CCCNC(=O)[C@@](C)(N)C(F)(F)F)C1CCCCC1 ZINC000094235754 193353622 /nfs/dbraw/zinc/35/36/22/193353622.db2.gz GAKAHSGHTSQHKB-CYBMUJFWSA-N 1 0 309.376 2.037 10 0 DEAERO C[NH2+][C@H](COc1ccccc1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642144 193389009 /nfs/dbraw/zinc/38/90/09/193389009.db2.gz VBXGOLFMTYFUIU-VNQPRFMTSA-N 1 0 311.447 2.257 10 0 DEAERO CCC[NH2+]C1CCC(O)([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094645068 193389471 /nfs/dbraw/zinc/38/94/71/193389471.db2.gz VTCFIACQRBCXSU-UIDBIOKJSA-N 1 0 317.495 2.263 10 0 DEAERO CC(C)C[NH2+]Cc1cnn([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000094644015 193389732 /nfs/dbraw/zinc/38/97/32/193389732.db2.gz HFRJEMRVSFBNHN-HUUCEWRRSA-N 1 0 313.467 2.157 10 0 DEAERO C[NH2+]CCc1c(C)nn([C@@H]2CCO[C@@]3(CCSC3)C2)c1C ZINC000094414598 193368475 /nfs/dbraw/zinc/36/84/75/193368475.db2.gz WZJTUPRDHZLKMQ-ZBFHGGJFSA-N 1 0 309.479 2.489 10 0 DEAERO CC(C)(C)[NH2+]Cc1cn([C@H]2CCO[C@]3(CCSC3)C2)nn1 ZINC000094419107 193368764 /nfs/dbraw/zinc/36/87/64/193368764.db2.gz AGVWYGBJNDHTLD-DZGCQCFKSA-N 1 0 310.467 2.393 10 0 DEAERO Nc1cc(F)c(OC(F)F)cc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094457896 193371789 /nfs/dbraw/zinc/37/17/89/193371789.db2.gz JJXDRQASWKVKRM-SECBINFHSA-N 1 0 301.312 2.294 10 0 DEAERO c1ccc2c(c1)C[NH2+]C[C@@H]2c1nc([C@H]2CSCCO2)no1 ZINC000094501788 193374511 /nfs/dbraw/zinc/37/45/11/193374511.db2.gz WKQHFVXXMOCLCI-QWHCGFSZSA-N 1 0 303.387 2.109 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(CC)s1)[C@H]1CN2CCN1CC2 ZINC000094510914 193376228 /nfs/dbraw/zinc/37/62/28/193376228.db2.gz AEZKNSVMOSYGHV-DLBZAZTESA-N 1 0 307.507 2.221 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000094550167 193378948 /nfs/dbraw/zinc/37/89/48/193378948.db2.gz VAHBGWZOGWTKFU-SWLSCSKDSA-N 1 0 304.415 2.198 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)O1 ZINC000094563385 193379811 /nfs/dbraw/zinc/37/98/11/193379811.db2.gz AFKZRNZBFNXWLS-QWRGUYRKSA-N 1 0 304.268 2.030 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)O1 ZINC000094564526 193381141 /nfs/dbraw/zinc/38/11/41/193381141.db2.gz RACHKUISDHWKJY-DGCLKSJQSA-N 1 0 317.216 2.158 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1cc(C(F)(F)F)ccc1N ZINC000094595881 193382723 /nfs/dbraw/zinc/38/27/23/193382723.db2.gz KNTUGRIOGAJPSY-UHFFFAOYSA-N 1 0 303.328 2.359 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNc1nc2c(Br)cccn2n1 ZINC000094602690 193383595 /nfs/dbraw/zinc/38/35/95/193383595.db2.gz XEWQFHGZCPZHNX-JTQLQIEISA-N 1 0 324.226 2.388 10 0 DEAERO Brc1ccc2nc(N[C@@H]3CCCC[NH2+]C3)nn2c1 ZINC000094608326 193384826 /nfs/dbraw/zinc/38/48/26/193384826.db2.gz QICQQILALVFASS-SNVBAGLBSA-N 1 0 310.199 2.046 10 0 DEAERO CCC[NH2+]C[C@H](C)S(=O)(=O)NCc1sccc1CC ZINC000094886933 193404844 /nfs/dbraw/zinc/40/48/44/193404844.db2.gz CZMPKCUIKVEMMW-NSHDSACASA-N 1 0 304.481 2.118 10 0 DEAERO CCC[NH2+][C@H](Cc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000094713261 193393427 /nfs/dbraw/zinc/39/34/27/193393427.db2.gz QRKVPPXFLKQCIR-TZMCWYRMSA-N 1 0 317.401 2.310 10 0 DEAERO C[C@H](C(=O)Nc1cccc(C(N)=S)c1)[N@@H+]1CCC(C)(C)C1 ZINC000094803266 193399157 /nfs/dbraw/zinc/39/91/57/193399157.db2.gz QKQXPGOKEYXUFN-LLVKDONJSA-N 1 0 305.447 2.380 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)c2cc(C[NH3+])oc2C)C1 ZINC000094815081 193399884 /nfs/dbraw/zinc/39/98/84/193399884.db2.gz FSUQEDNGDAQDGM-UHFFFAOYSA-N 1 0 300.424 2.248 10 0 DEAERO COC1([C@@H](C)[NH2+][C@H](CO)Cc2ccc(C)cc2)CCOCC1 ZINC000453212910 244992865 /nfs/dbraw/zinc/99/28/65/244992865.db2.gz GIUJRJOMSQXSID-WBVHZDCISA-N 1 0 307.434 2.072 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NCc2cnc(CC)o2)[C@@H](C)C1 ZINC000453391953 245112367 /nfs/dbraw/zinc/11/23/67/245112367.db2.gz QYDDYPNIDKSBEP-HOCLYGCPSA-N 1 0 309.454 2.464 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])COc1ccc(Cl)cc1 ZINC000097217478 193693878 /nfs/dbraw/zinc/69/38/78/193693878.db2.gz OIVXTRUGOBUWQR-GFCCVEGCSA-N 1 0 305.827 2.261 10 0 DEAERO CC[NH2+][C@H](Cc1ccncc1Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000097240102 193696674 /nfs/dbraw/zinc/69/66/74/193696674.db2.gz SDKWFNSCEVGOHG-AAEUAGOBSA-N 1 0 316.854 2.080 10 0 DEAERO CCC[NH2+][C@H](CC[C@@H]1CCCO1)C[C@@H]1CCS(=O)(=O)C1 ZINC000097237115 193697261 /nfs/dbraw/zinc/69/72/61/193697261.db2.gz RMHBTACTZAVOEZ-ZNMIVQPWSA-N 1 0 303.468 2.139 10 0 DEAERO O=C(c1cc(=O)[nH]c2ccccc21)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186552200 296185211 /nfs/dbraw/zinc/18/52/11/296185211.db2.gz LQDDZNSRNAKWBM-LBPRGKRZSA-N 1 0 311.385 2.297 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1cccc2cccnc21 ZINC000097344631 193709428 /nfs/dbraw/zinc/70/94/28/193709428.db2.gz ZVUORCNFTVOVFA-WFASDCNBSA-N 1 0 304.415 2.320 10 0 DEAERO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000266235396 205204594 /nfs/dbraw/zinc/20/45/94/205204594.db2.gz SKFMLGZQHWBKJP-YUELXQCFSA-N 1 0 318.417 2.018 10 0 DEAERO CCn1cnc2c1ncnc2N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000266284605 205237481 /nfs/dbraw/zinc/23/74/81/205237481.db2.gz VFGZMDLEXPTDNB-CHWSQXEVSA-N 1 0 302.426 2.013 10 0 DEAERO [NH3+]CCS[C@@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000016900089 182063198 /nfs/dbraw/zinc/06/31/98/182063198.db2.gz NQCZWRFRXJMCRF-SNVBAGLBSA-N 1 0 318.320 2.029 10 0 DEAERO CC(C)[C@@H](C[NH3+])NC(=O)c1c(F)cccc1Br ZINC000161102302 197464878 /nfs/dbraw/zinc/46/48/78/197464878.db2.gz QACLMXNTAAUAPS-SNVBAGLBSA-N 1 0 303.175 2.301 10 0 DEAERO COC(=O)c1sc2ncnc(NCCC[NH+](C)C)c2c1C ZINC000019644243 182134348 /nfs/dbraw/zinc/13/43/48/182134348.db2.gz MFVYWYALDVLNAJ-UHFFFAOYSA-N 1 0 308.407 2.150 10 0 DEAERO Cc1ncc(CN2CCC[C@H]([NH+]3CCC(CO)CC3)C2)s1 ZINC000019837277 182154996 /nfs/dbraw/zinc/15/49/96/182154996.db2.gz NZKFWSGWIAPHCC-HNNXBMFYSA-N 1 0 309.479 2.120 10 0 DEAERO CC[NH2+][C@H](c1c(Br)cnn1CC)[C@H]1CCCO1 ZINC000160287803 197398617 /nfs/dbraw/zinc/39/86/17/197398617.db2.gz UKTVTGIJESALFM-MNOVXSKESA-N 1 0 302.216 2.495 10 0 DEAERO Cc1ccccc1CNS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000020189123 182195627 /nfs/dbraw/zinc/19/56/27/182195627.db2.gz OPGYHBGEDKXPNA-UHFFFAOYSA-N 1 0 308.378 2.071 10 0 DEAERO [NH3+]CCc1nn2c(nnc2-c2ccc(Br)cc2)s1 ZINC000020391846 182213865 /nfs/dbraw/zinc/21/38/65/182213865.db2.gz SMYYIDCLFLBKID-UHFFFAOYSA-N 1 0 324.207 2.117 10 0 DEAERO CCOc1c(Cl)cc(CNCC[NH2+]CCO)cc1Cl ZINC000020477685 182222329 /nfs/dbraw/zinc/22/23/29/182222329.db2.gz SBWHTTZMEBGHCW-UHFFFAOYSA-N 1 0 307.221 2.064 10 0 DEAERO COCCn1ncc(Br)c1[C@H]([NH3+])CSC(C)C ZINC000160078481 197384434 /nfs/dbraw/zinc/38/44/34/197384434.db2.gz LBEOCLKHWDGYPT-SNVBAGLBSA-N 1 0 322.272 2.433 10 0 DEAERO CCS(=O)(=O)CCCOc1c(Cl)cccc1CC[NH3+] ZINC000159963726 197376980 /nfs/dbraw/zinc/37/69/80/197376980.db2.gz UQMPQPHTACZAKM-UHFFFAOYSA-N 1 0 305.827 2.045 10 0 DEAERO C[C@@H](CNC(=O)NCCOCc1ccc(Cl)cc1)[NH+](C)C ZINC000454713515 246092044 /nfs/dbraw/zinc/09/20/44/246092044.db2.gz MXTUVXJQSYCWBX-LBPRGKRZSA-N 1 0 313.829 2.106 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1C(N)=S)[NH+]1CCC(C)CC1 ZINC000021809606 182292292 /nfs/dbraw/zinc/29/22/92/182292292.db2.gz IBNSUGRESMKWSP-LBPRGKRZSA-N 1 0 305.447 2.380 10 0 DEAERO CN(Cc1cc(C(N)=S)ccc1F)CC1([NH+](C)C)CCC1 ZINC000097928093 193767135 /nfs/dbraw/zinc/76/71/35/193767135.db2.gz XOUFPQYCFWOGHF-UHFFFAOYSA-N 1 0 309.454 2.376 10 0 DEAERO Cc1c(Cl)cccc1NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000023249624 182354337 /nfs/dbraw/zinc/35/43/37/182354337.db2.gz LTZLXDFFERSUJE-CYBMUJFWSA-N 1 0 307.825 2.367 10 0 DEAERO C[C@H]1CN(C(=O)c2occc2Br)C[C@H]1[NH+](C)C ZINC000267582008 206156929 /nfs/dbraw/zinc/15/69/29/206156929.db2.gz LNOJWPOGRLSKIX-WCBMZHEXSA-N 1 0 301.184 2.064 10 0 DEAERO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCCC1CC1 ZINC000530867815 284477407 /nfs/dbraw/zinc/47/74/07/284477407.db2.gz XQVYZJNGBLYNAP-UHFFFAOYSA-N 1 0 318.421 2.159 10 0 DEAERO COc1cccc2c1[C@]13CC[N@H+](C)[C@H](C2)[C@]1(OC)CCC(=O)C3 ZINC000029330780 182560733 /nfs/dbraw/zinc/56/07/33/182560733.db2.gz FXPIRWWMNVRGSD-BHIYHBOVSA-N 1 0 315.413 2.331 10 0 DEAERO C[C@H](NC(=O)c1ccccc1)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456204961 247009898 /nfs/dbraw/zinc/00/98/98/247009898.db2.gz PCJQHXGNPAYCEK-AWEZNQCLSA-N 1 0 319.449 2.042 10 0 DEAERO CCc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000158759667 291645632 /nfs/dbraw/zinc/64/56/32/291645632.db2.gz DTLQVPHHKYJKRT-OAHLLOKOSA-N 1 0 323.412 2.356 10 0 DEAERO Cc1ncsc1CCNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457840803 248040305 /nfs/dbraw/zinc/04/03/05/248040305.db2.gz UQXRFZCKQQMKLU-UHFFFAOYSA-N 1 0 307.463 2.375 10 0 DEAERO C[NH+](C)CCOc1ccc(NC(=O)c2cc(F)c[nH]2)cc1F ZINC000458282833 248247242 /nfs/dbraw/zinc/24/72/42/248247242.db2.gz VYMJDEUDVQVJKM-UHFFFAOYSA-N 1 0 309.316 2.486 10 0 DEAERO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccccc2-n2cccn2)C1 ZINC000458179372 248189098 /nfs/dbraw/zinc/18/90/98/248189098.db2.gz XZWMSHUOCHMSIR-HNNXBMFYSA-N 1 0 312.417 2.334 10 0 DEAERO Cc1ccc2[nH]c(CNC(=O)NC(C)(C)C[NH+](C)C)nc2c1 ZINC000458465807 248323462 /nfs/dbraw/zinc/32/34/62/248323462.db2.gz BNARYMVZQGOHBP-UHFFFAOYSA-N 1 0 303.410 2.011 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459434818 248628449 /nfs/dbraw/zinc/62/84/49/248628449.db2.gz UZUNKOPOHKFHLX-UHFFFAOYSA-N 1 0 318.408 2.381 10 0 DEAERO Cc1nnc([C@H](C)NC(=O)c2cccc(C[NH+]3CCCC3)c2)o1 ZINC000531846167 284619520 /nfs/dbraw/zinc/61/95/20/284619520.db2.gz UKGUSCGRRIPVPT-LBPRGKRZSA-N 1 0 314.389 2.465 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038050836 182982427 /nfs/dbraw/zinc/98/24/27/182982427.db2.gz WTORFBXVKADSLP-CHWSQXEVSA-N 1 0 311.451 2.055 10 0 DEAERO C[C@@H]1C[N@H+](CCCC(=O)Nc2cc(Cl)ccc2N)CCO1 ZINC000040162775 183042531 /nfs/dbraw/zinc/04/25/31/183042531.db2.gz BMZHQQBWWGVKRO-LLVKDONJSA-N 1 0 311.813 2.362 10 0 DEAERO CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC000532045051 284644579 /nfs/dbraw/zinc/64/45/79/284644579.db2.gz TYUYUIRGTKXVSK-ZDUSSCGKSA-N 1 0 324.446 2.366 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(Cl)c3cccnc23)C1 ZINC000040634095 183111502 /nfs/dbraw/zinc/11/15/02/183111502.db2.gz FOOOJBGADONOGS-RNCFNFMXSA-N 1 0 305.765 2.204 10 0 DEAERO C[N@@H+]1CCC[C@H](NC(=O)c2cc(N)c(Cl)c(Cl)c2)C1 ZINC000040671604 183115580 /nfs/dbraw/zinc/11/55/80/183115580.db2.gz KGTFBNLGPBHYBH-VIFPVBQESA-N 1 0 302.205 2.400 10 0 DEAERO CCCS(=O)(=O)c1ccccc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750546 183128758 /nfs/dbraw/zinc/12/87/58/183128758.db2.gz WHDCSTMSIURTSF-AGUYFDCRSA-N 1 0 308.447 2.329 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)NCc1cc(Br)ccc1F ZINC000041069550 183162264 /nfs/dbraw/zinc/16/22/64/183162264.db2.gz MNTCRGNOSHGMJX-LLVKDONJSA-N 1 0 303.175 2.332 10 0 DEAERO CC[NH2+]CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000041157621 183179580 /nfs/dbraw/zinc/17/95/80/183179580.db2.gz BKMSADBIPGFIMT-UHFFFAOYSA-N 1 0 311.179 2.045 10 0 DEAERO Cc1ccc(NCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000041563166 183202763 /nfs/dbraw/zinc/20/27/63/183202763.db2.gz AGTILBGIGYZYBU-UHFFFAOYSA-N 1 0 312.255 2.417 10 0 DEAERO C[C@H](C(=O)N1C[C@H](C)N(CC[NH+](C)C)[C@@H](C)C1)C1CCCC1 ZINC000041313784 183185358 /nfs/dbraw/zinc/18/53/58/183185358.db2.gz XRRDQWZIJLAVDT-JYJNAYRXSA-N 1 0 309.498 2.296 10 0 DEAERO Cc1cc(C(=O)NCCC[NH+](C)C)nn1-c1ccc(C)c(C)c1 ZINC000041455807 183192706 /nfs/dbraw/zinc/19/27/06/183192706.db2.gz ZCZIBLGOQKNKKF-UHFFFAOYSA-N 1 0 314.433 2.479 10 0 DEAERO Cc1noc(COc2c(Br)cccc2CC[NH3+])n1 ZINC000042412715 183266274 /nfs/dbraw/zinc/26/62/74/183266274.db2.gz HLNAZENMCHWUPR-UHFFFAOYSA-N 1 0 312.167 2.221 10 0 DEAERO CN(Cc1cccc(Br)c1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042440374 183270194 /nfs/dbraw/zinc/27/01/94/183270194.db2.gz ASANKWOHPJDXJE-TZMCWYRMSA-N 1 0 313.239 2.245 10 0 DEAERO CC(C)[N@H+](CCCO)CCC(=O)Nc1ccc(Cl)cc1N ZINC000042482923 183275239 /nfs/dbraw/zinc/27/52/39/183275239.db2.gz BTIPXNOBJHWPSL-UHFFFAOYSA-N 1 0 313.829 2.344 10 0 DEAERO CC(C)[N@H+](CCCO)CCCOc1cccc(C(N)=S)c1 ZINC000042505995 183277895 /nfs/dbraw/zinc/27/78/95/183277895.db2.gz NSANFLKKFQSVDC-UHFFFAOYSA-N 1 0 310.463 2.183 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cncc(Br)c2)C1 ZINC000042356375 183257205 /nfs/dbraw/zinc/25/72/05/183257205.db2.gz SENMOIQAXBCBPE-GFCCVEGCSA-N 1 0 312.211 2.058 10 0 DEAERO CCCCC[N@H+](CCC(=O)N(C)CCC(N)=S)C(C)C ZINC000042557117 183284740 /nfs/dbraw/zinc/28/47/40/183284740.db2.gz VVDGJCGSGIHUBJ-UHFFFAOYSA-N 1 0 301.500 2.412 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCCC[C@@H]1C(N)=O ZINC000042946473 183320282 /nfs/dbraw/zinc/32/02/82/183320282.db2.gz NRGSUZIVQQOQER-KFWWJZLASA-N 1 0 309.841 2.458 10 0 DEAERO Cn1cnnc1S[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043024467 183331340 /nfs/dbraw/zinc/33/13/40/183331340.db2.gz CBQOBWHNYGERLR-SNVBAGLBSA-N 1 0 313.224 2.370 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N(CC(N)=O)C1CCCC1 ZINC000043052484 183332957 /nfs/dbraw/zinc/33/29/57/183332957.db2.gz YCULDEVESYUEIE-MEDUHNTESA-N 1 0 309.841 2.458 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1sccc1C)N1CCC(C(=O)NC)CC1 ZINC000043248018 183346976 /nfs/dbraw/zinc/34/69/76/183346976.db2.gz MUXSEORDHDVPIF-KBPBESRZSA-N 1 0 309.479 2.293 10 0 DEAERO CCCNC(=O)CN(C)[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043253533 183347710 /nfs/dbraw/zinc/34/77/10/183347710.db2.gz VNDFMIUHZFVTCR-NOZJJQNGSA-N 1 0 303.859 2.248 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCCC[C@@H]1C(N)=O ZINC000043253713 183347922 /nfs/dbraw/zinc/34/79/22/183347922.db2.gz GPXUJZPRSXTTAS-LNLATYFQSA-N 1 0 301.843 2.130 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N(CCO)C1CC1 ZINC000043262751 183349055 /nfs/dbraw/zinc/34/90/55/183349055.db2.gz HHBKVKQXDBDIJW-PELKAZGASA-N 1 0 319.268 2.356 10 0 DEAERO CC(C)N(CCO)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000043262723 183349195 /nfs/dbraw/zinc/34/91/95/183349195.db2.gz DKNCBPTVKCCKBL-SECBINFHSA-N 1 0 307.257 2.213 10 0 DEAERO [NH3+][C@H](c1ccc(F)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299826 183351412 /nfs/dbraw/zinc/35/14/12/183351412.db2.gz SAZBQZCEEBDZJO-LDYMZIIASA-N 1 0 322.199 2.023 10 0 DEAERO CC[NH2+][C@@H](c1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300889 183352011 /nfs/dbraw/zinc/35/20/11/183352011.db2.gz GOEBGGAWXCKOKE-YPMHNXCESA-N 1 0 319.373 2.373 10 0 DEAERO CCC[NH2+][C@@H](c1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043301179 183352382 /nfs/dbraw/zinc/35/23/82/183352382.db2.gz ZHGNYAYVDDLMHX-QMTHXVAHSA-N 1 0 303.374 2.440 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1nnnn1-c1ccccc1)c1ccco1 ZINC000043338293 183355896 /nfs/dbraw/zinc/35/58/96/183355896.db2.gz ZQGUFSQDSRCYSR-GWCFXTLKSA-N 1 0 301.375 2.436 10 0 DEAERO Cc1ccc([C@H](Oc2cccc(S(C)(=O)=O)c2)[C@H](C)[NH3+])o1 ZINC000043366997 183357269 /nfs/dbraw/zinc/35/72/69/183357269.db2.gz LTOFSEPSVKDLHS-XHDPSFHLSA-N 1 0 309.387 2.459 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1nnnn1-c1ccccc1)C(F)(F)F ZINC000043385906 183358118 /nfs/dbraw/zinc/35/81/18/183358118.db2.gz RFEOVXVMAVSKBK-NXEZZACHSA-N 1 0 317.340 2.423 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1ccccc1Cl ZINC000043090128 183334790 /nfs/dbraw/zinc/33/47/90/183334790.db2.gz SMXXLSOTSYKTMZ-KRTXAFLBSA-N 1 0 309.826 2.475 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)C1(C(N)=S)CCCC1 ZINC000044768099 183437687 /nfs/dbraw/zinc/43/76/87/183437687.db2.gz HWNPABRAWLIOPC-ZDUSSCGKSA-N 1 0 313.511 2.460 10 0 DEAERO C[C@H]([NH3+])c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1 ZINC000044493807 183414309 /nfs/dbraw/zinc/41/43/09/183414309.db2.gz HONHDFNTZBTQKO-VIFPVBQESA-N 1 0 311.432 2.080 10 0 DEAERO C[NH2+]CCS(=O)(=O)Nc1c(C)cc(C)cc1Br ZINC000159817283 197366510 /nfs/dbraw/zinc/36/65/10/197366510.db2.gz PQCWNXIWPUGKIT-UHFFFAOYSA-N 1 0 321.240 2.027 10 0 DEAERO [NH3+][C@H]1C[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000159797883 197365390 /nfs/dbraw/zinc/36/53/90/197365390.db2.gz QXVOUSCJPBAULR-IUCAKERBSA-N 1 0 323.112 2.297 10 0 DEAERO CC[NH2+][C@@](C)(CCCC[NH+]1CCC(OCC)CC1)C(=O)[O-] ZINC000045420111 183505952 /nfs/dbraw/zinc/50/59/52/183505952.db2.gz MPDKSVUTUSZSEF-INIZCTEOSA-N 1 0 300.443 2.110 10 0 DEAERO CCC[NH2+][C@](C)(CCCCSc1ncc(C)cn1)C(N)=O ZINC000045597940 183517693 /nfs/dbraw/zinc/51/76/93/183517693.db2.gz LCGGJPHYJGYMOF-OAHLLOKOSA-N 1 0 310.467 2.291 10 0 DEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1coc(Br)c1 ZINC000104502062 194011631 /nfs/dbraw/zinc/01/16/31/194011631.db2.gz GSOJZVHQMLYHHD-VIFPVBQESA-N 1 0 301.184 2.066 10 0 DEAERO COc1ccc(CC[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000284620344 218104684 /nfs/dbraw/zinc/10/46/84/218104684.db2.gz AXSXFFMYLOIFTQ-KZNAEPCWSA-N 1 0 305.418 2.100 10 0 DEAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)Nc1cccc2ncccc21 ZINC000105232244 194088085 /nfs/dbraw/zinc/08/80/85/194088085.db2.gz TTWKDRLJGCZQMG-LBPRGKRZSA-N 1 0 305.403 2.119 10 0 DEAERO C[C@H](CNC(=O)N(C)Cc1ccc(Cl)nc1)[N@H+](C)C1CC1 ZINC000105268239 194091776 /nfs/dbraw/zinc/09/17/76/194091776.db2.gz IPRGLYNLBUJBGG-LLVKDONJSA-N 1 0 310.829 2.359 10 0 DEAERO CCCc1nc(NC2CCS(=O)CC2)c(C)c(NCC)[nH+]1 ZINC000159473056 197355960 /nfs/dbraw/zinc/35/59/60/197355960.db2.gz QJYNKXGPNVYESW-UHFFFAOYSA-N 1 0 310.467 2.492 10 0 DEAERO CCCNc1[nH+]c(CC)nc(NC2CCS(=O)CC2)c1C ZINC000159459040 197355467 /nfs/dbraw/zinc/35/54/67/197355467.db2.gz SRSUAOGVYATFBY-UHFFFAOYSA-N 1 0 310.467 2.492 10 0 DEAERO CN(c1cccnn1)C1CC[NH+](CCOc2ccccc2)CC1 ZINC000105806179 194133404 /nfs/dbraw/zinc/13/34/04/194133404.db2.gz SDOAVXRZVSJOLD-UHFFFAOYSA-N 1 0 312.417 2.456 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(CCOc2cccc(Cl)c2)C[C@@H]1C ZINC000105912409 194167581 /nfs/dbraw/zinc/16/75/81/194167581.db2.gz MJNJKQRTEWQQFM-UONOGXRCSA-N 1 0 312.841 2.106 10 0 DEAERO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105918454 194168612 /nfs/dbraw/zinc/16/86/12/194168612.db2.gz MXSVPMVVDWDHIW-HNNXBMFYSA-N 1 0 318.465 2.076 10 0 DEAERO Cc1nn(C)c(Cl)c1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920110 194171062 /nfs/dbraw/zinc/17/10/62/194171062.db2.gz ICNCOVRPLONULE-UHFFFAOYSA-N 1 0 307.829 2.491 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2coc(-c3cccs3)n2)C1 ZINC000106023716 194179953 /nfs/dbraw/zinc/17/99/53/194179953.db2.gz AZURSUAYGDSLQI-GFCCVEGCSA-N 1 0 305.403 2.108 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(OC(F)F)c2)C[C@@H]1C ZINC000106097983 194185145 /nfs/dbraw/zinc/18/51/45/194185145.db2.gz RORGIVJUCCUBTF-QWHCGFSZSA-N 1 0 314.376 2.175 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(F)cc2Cl)C[C@@H]1C ZINC000106100775 194186347 /nfs/dbraw/zinc/18/63/47/194186347.db2.gz SOOVVUNKMJXQKC-NWDGAFQWSA-N 1 0 300.805 2.366 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)COC)c1cccc(OC)c1 ZINC000103362476 284771337 /nfs/dbraw/zinc/77/13/37/284771337.db2.gz ZCULCLSKBCROSI-PBHICJAKSA-N 1 0 322.449 2.477 10 0 DEAERO CC[C@@H]1CN(Cc2nc3ccccc3n2C)CC[N@@H+]1CCOC ZINC000106113261 194187788 /nfs/dbraw/zinc/18/77/88/194187788.db2.gz LGSKAMZCTCFHFH-OAHLLOKOSA-N 1 0 316.449 2.116 10 0 DEAERO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000106366111 194202985 /nfs/dbraw/zinc/20/29/85/194202985.db2.gz RDDDQMOTABTDCT-JTQLQIEISA-N 1 0 320.817 2.147 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCc1cccc(O)c1 ZINC000106460870 194218063 /nfs/dbraw/zinc/21/80/63/194218063.db2.gz NKGKKITZVMITLC-GOSISDBHSA-N 1 0 312.413 2.224 10 0 DEAERO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(CCO)CC1 ZINC000553062744 291731806 /nfs/dbraw/zinc/73/18/06/291731806.db2.gz IFFLZVMOIVXSCQ-DLTWYDFYSA-N 1 0 310.482 2.410 10 0 DEAERO Cc1occc1CN(C)S(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000048913518 183695537 /nfs/dbraw/zinc/69/55/37/183695537.db2.gz GLLXIDKCKKDALO-NSHDSACASA-N 1 0 308.403 2.428 10 0 DEAERO CCC[NH2+]Cc1ccc(OCC(=O)NCC(F)(F)F)cc1 ZINC000049309552 183724854 /nfs/dbraw/zinc/72/48/54/183724854.db2.gz HXYZCUGZEZVXIY-UHFFFAOYSA-N 1 0 304.312 2.244 10 0 DEAERO CCC[NH2+][C@H]1CCCCC[C@H]1c1nc(CS(C)(=O)=O)no1 ZINC000109512512 194269632 /nfs/dbraw/zinc/26/96/32/194269632.db2.gz GATWDEHQPBIJBT-NEPJUHHUSA-N 1 0 315.439 2.030 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000051359343 183824678 /nfs/dbraw/zinc/82/46/78/183824678.db2.gz MUTCVQAABKQTPS-KBPBESRZSA-N 1 0 312.410 2.039 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cccc(F)c2)CC1 ZINC000109755652 194283635 /nfs/dbraw/zinc/28/36/35/194283635.db2.gz RKZXYYHQIPZZBN-SFHVURJKSA-N 1 0 305.441 2.428 10 0 DEAERO CC[NH2+]C[C@H]1CC[C@H](Cn2nc(C)c(Br)c2C)O1 ZINC000052573698 183865414 /nfs/dbraw/zinc/86/54/14/183865414.db2.gz QYVUCIMTTNJSOB-VXGBXAGGSA-N 1 0 316.243 2.420 10 0 DEAERO OCC1([NH2+]C[C@@H](O)c2cccc(Br)c2)CCCC1 ZINC000053069396 183885458 /nfs/dbraw/zinc/88/54/58/183885458.db2.gz JWMWDDOASBSPKG-CYBMUJFWSA-N 1 0 314.223 2.377 10 0 DEAERO CCC(CC)(CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000053070443 183885760 /nfs/dbraw/zinc/88/57/60/183885760.db2.gz DVIMYFKUBMPEFC-ZDUSSCGKSA-N 1 0 301.814 2.220 10 0 DEAERO CC[NH2+]C[C@@H]1CCCN1c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000053696686 183909775 /nfs/dbraw/zinc/90/97/75/183909775.db2.gz DJMYNXQUMSLIMR-LBPRGKRZSA-N 1 0 318.389 2.261 10 0 DEAERO COCC[NH2+]C[C@@H]1CCCN1c1cccc(C(F)(F)F)n1 ZINC000053698029 183910170 /nfs/dbraw/zinc/91/01/70/183910170.db2.gz QXWPUMMBEQIDAI-NSHDSACASA-N 1 0 303.328 2.305 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCNC(=O)C1(C)C ZINC000110653676 194346757 /nfs/dbraw/zinc/34/67/57/194346757.db2.gz AYHPTHQIWDEKKI-KBPBESRZSA-N 1 0 309.841 2.329 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCNC(=O)C1(C)C ZINC000110653194 194347230 /nfs/dbraw/zinc/34/72/30/194347230.db2.gz UYJGPXDCKQIJAF-ZIAGYGMSSA-N 1 0 309.841 2.329 10 0 DEAERO C[C@@H]1CN(c2c(C(N)=S)cnc3ccccc32)CC[N@@H+]1C ZINC000110755779 194356425 /nfs/dbraw/zinc/35/64/25/194356425.db2.gz BKKGSFOYPIHVSG-LLVKDONJSA-N 1 0 300.431 2.009 10 0 DEAERO CCCn1cc(Br)cc1C(=O)NCC[NH2+]C1CC1 ZINC000054266007 183931815 /nfs/dbraw/zinc/93/18/15/183931815.db2.gz PDPDXRIDQDJQTM-UHFFFAOYSA-N 1 0 314.227 2.142 10 0 DEAERO CN(C(=O)c1ccc(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000110927507 194369673 /nfs/dbraw/zinc/36/96/73/194369673.db2.gz NYSUJBQNBWCJGQ-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO CN(C(=O)c1ccc(F)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000110927204 194370474 /nfs/dbraw/zinc/37/04/74/194370474.db2.gz VDDOEIAHZIPVEM-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cccc(Cl)c1 ZINC000110942199 194372330 /nfs/dbraw/zinc/37/23/30/194372330.db2.gz VWDIJOBWVMOUHB-ZDUSSCGKSA-N 1 0 316.854 2.493 10 0 DEAERO CC[C@H]([NH3+])[C@H](SCCS(C)(=O)=O)c1cccc(F)c1 ZINC000111003980 194380101 /nfs/dbraw/zinc/38/01/01/194380101.db2.gz BWDOKOFCTFILJG-QWHCGFSZSA-N 1 0 305.440 2.382 10 0 DEAERO CC[C@@H]([NH3+])[C@H](SCCS(C)(=O)=O)c1ccc(OC)cc1 ZINC000111004085 194380386 /nfs/dbraw/zinc/38/03/86/194380386.db2.gz TWTPIMOTQJYNDV-ZIAGYGMSSA-N 1 0 317.476 2.251 10 0 DEAERO CCCC[C@@](CC)(C[NH2+]CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000054658275 183947585 /nfs/dbraw/zinc/94/75/85/183947585.db2.gz AEDBDSNDGPKAPI-GJZGRUSLSA-N 1 0 305.484 2.244 10 0 DEAERO CCC[NH2+][C@@H](c1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000111037647 194386123 /nfs/dbraw/zinc/38/61/23/194386123.db2.gz GDJSXROCKVKNDR-IINYFYTJSA-N 1 0 303.374 2.440 10 0 DEAERO O[C@@H]1C[NH2+]C[C@@H]1Oc1ccc2ccccc2c1Br ZINC000111060086 194387748 /nfs/dbraw/zinc/38/77/48/194387748.db2.gz NGSSPBAKNGGSHC-YPMHNXCESA-N 1 0 308.175 2.314 10 0 DEAERO CCCOCCOc1ncc(Br)cc1C[NH2+]C ZINC000111110942 194392575 /nfs/dbraw/zinc/39/25/75/194392575.db2.gz XRVSGHBUMILEFO-UHFFFAOYSA-N 1 0 303.200 2.369 10 0 DEAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)C1 ZINC000060510980 184151069 /nfs/dbraw/zinc/15/10/69/184151069.db2.gz ZPBUYCKZWMCXHQ-HNNXBMFYSA-N 1 0 310.463 2.374 10 0 DEAERO CCC[NH2+][C@@H](Cc1cc(Cl)ccc1OC)CS(C)(=O)=O ZINC000060706358 184154453 /nfs/dbraw/zinc/15/44/53/184154453.db2.gz HDKNNUUIRCVJFE-ZDUSSCGKSA-N 1 0 319.854 2.304 10 0 DEAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1cccc(Cl)c1 ZINC000061040950 184160347 /nfs/dbraw/zinc/16/03/47/184160347.db2.gz URUJNDMKTWWEBZ-UHFFFAOYSA-N 1 0 307.825 2.449 10 0 DEAERO [NH3+]Cc1ccccc1S(=O)(=O)Nc1cc(F)cc(F)c1F ZINC000061118192 184162571 /nfs/dbraw/zinc/16/25/71/184162571.db2.gz FLINFNXPFAEDFJ-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)NCc1cc(Br)ccc1F ZINC000061267596 184167107 /nfs/dbraw/zinc/16/71/07/184167107.db2.gz OSMURLZCCQGPTN-VIFPVBQESA-N 1 0 317.202 2.450 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)NCc1cc(F)ccc1Br ZINC000061266255 184167317 /nfs/dbraw/zinc/16/73/17/184167317.db2.gz ACCVKVHOJZEPEC-VIFPVBQESA-N 1 0 317.202 2.450 10 0 DEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(I)c1 ZINC000061300341 184167733 /nfs/dbraw/zinc/16/77/33/184167733.db2.gz ZLVZGBDIHRAGHM-UHFFFAOYSA-N 1 0 318.158 2.228 10 0 DEAERO CCN(CC)c1nc(Cl)nc(NCC[NH+](CC)CC)n1 ZINC000061536214 184172617 /nfs/dbraw/zinc/17/26/17/184172617.db2.gz GURSNWDRIAXYDF-UHFFFAOYSA-N 1 0 300.838 2.125 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CNc1nc(Cl)nc(N2CCCC2)n1 ZINC000061540835 184173728 /nfs/dbraw/zinc/17/37/28/184173728.db2.gz GTCWQKYUVZRLFN-LLVKDONJSA-N 1 0 310.833 2.021 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CNc1nc(Cl)nc(N2CCCC2)n1 ZINC000061540837 184173759 /nfs/dbraw/zinc/17/37/59/184173759.db2.gz GTCWQKYUVZRLFN-NSHDSACASA-N 1 0 310.833 2.021 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1ccccc1Cl ZINC000061592684 184175795 /nfs/dbraw/zinc/17/57/95/184175795.db2.gz FCNRMOUDKMWIMS-MNOVXSKESA-N 1 0 312.826 2.333 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1ccccc1C ZINC000061594273 184175951 /nfs/dbraw/zinc/17/59/51/184175951.db2.gz TXSQEDKHFSKWGG-OLZOCXBDSA-N 1 0 306.435 2.470 10 0 DEAERO CCn1c(S[C@@H](c2ccccc2Cl)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594276 184176142 /nfs/dbraw/zinc/17/61/42/184176142.db2.gz JBQLRGGWEWKKSD-GZMMTYOYSA-N 1 0 312.826 2.425 10 0 DEAERO Cc1cccc([C@H](Sc2n[nH]c(=O)n2C2CC2)[C@@H](C)[NH3+])c1 ZINC000061594552 184176164 /nfs/dbraw/zinc/17/61/64/184176164.db2.gz YEVLETRLARRNKX-ZWNOBZJWSA-N 1 0 304.419 2.395 10 0 DEAERO Cc1ccsc1[C@H](Sc1n[nH]c(=O)n1C1CC1)[C@@H](C)[NH3+] ZINC000061594600 184176223 /nfs/dbraw/zinc/17/62/23/184176223.db2.gz GSDOWTNJHAYUBY-LDYMZIIASA-N 1 0 310.448 2.457 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C(C)C)c1cccnc1 ZINC000061595271 184176425 /nfs/dbraw/zinc/17/64/25/184176425.db2.gz FDKYDTMVRTXFSQ-RYUDHWBXSA-N 1 0 307.423 2.118 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cncc(Br)c1 ZINC000061652043 184180873 /nfs/dbraw/zinc/18/08/73/184180873.db2.gz BDGZLUOXZMEFHE-LBPRGKRZSA-N 1 0 312.211 2.010 10 0 DEAERO [NH3+]Cc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1 ZINC000061841267 184189553 /nfs/dbraw/zinc/18/95/53/184189553.db2.gz RIJZYOKNMZFWBX-UHFFFAOYSA-N 1 0 310.806 2.277 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N1CCN(CC(F)(F)F)CC1 ZINC000061940814 184197177 /nfs/dbraw/zinc/19/71/77/184197177.db2.gz XIHDFPNLJCJDIR-WCQYABFASA-N 1 0 305.344 2.238 10 0 DEAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941240 184197186 /nfs/dbraw/zinc/19/71/86/184197186.db2.gz FPVMVBLUPYDCFU-RDBSUJKOSA-N 1 0 307.404 2.333 10 0 DEAERO COc1ccc(C[C@@]2(O)CC[N@H+](C)C2)cc1Br ZINC000061986839 184199866 /nfs/dbraw/zinc/19/98/66/184199866.db2.gz KBVQELNQVPKKFH-ZDUSSCGKSA-N 1 0 300.196 2.067 10 0 DEAERO C[NH+](C)CCCNC(=O)[C@H](Cc1ccncc1)c1ccccc1 ZINC000062066113 184203901 /nfs/dbraw/zinc/20/39/01/184203901.db2.gz CGDQPPQGSSYRKN-GOSISDBHSA-N 1 0 311.429 2.476 10 0 DEAERO C[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000062187544 184216498 /nfs/dbraw/zinc/21/64/98/184216498.db2.gz YEZKIBGWTHNOEO-CYBMUJFWSA-N 1 0 304.415 2.055 10 0 DEAERO Nc1c(Cl)ncnc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000062365277 184232918 /nfs/dbraw/zinc/23/29/18/184232918.db2.gz JGPNONISNQKXKK-LBPRGKRZSA-N 1 0 304.781 2.366 10 0 DEAERO CC[NH2+][C@H](c1cc(F)c(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000062706585 184248843 /nfs/dbraw/zinc/24/88/43/184248843.db2.gz JKSPIBOJCFZYAP-OQPBUACISA-N 1 0 307.337 2.189 10 0 DEAERO COCC[NH2+]Cc1ccc(OCC(=O)OC(C)C)c(Cl)c1 ZINC000062730591 184251096 /nfs/dbraw/zinc/25/10/96/184251096.db2.gz LYYBIOUDXXRGAK-UHFFFAOYSA-N 1 0 315.797 2.406 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)ccc1OCc1ncccn1 ZINC000062731091 184251217 /nfs/dbraw/zinc/25/12/17/184251217.db2.gz MZJWULYAYWIZKO-UHFFFAOYSA-N 1 0 307.781 2.445 10 0 DEAERO COc1ccc(C[NH2+]C(C)(C)C)cc1OCCS(C)(=O)=O ZINC000062732432 184251599 /nfs/dbraw/zinc/25/15/99/184251599.db2.gz MAZRUKPVAMIZNR-UHFFFAOYSA-N 1 0 315.435 2.007 10 0 DEAERO CC(C)(C)[NH2+]Cc1c(N2CCC[C@H]2CO)nc2sccn12 ZINC000062736778 184251607 /nfs/dbraw/zinc/25/16/07/184251607.db2.gz ZKUCGDZKBJPUOU-NSHDSACASA-N 1 0 308.451 2.245 10 0 DEAERO CCO[C@H](C[NH3+])CN(C)Cc1ccc(Br)cc1 ZINC000062739657 184252038 /nfs/dbraw/zinc/25/20/38/184252038.db2.gz SKNDMEJYJDEEFS-CYBMUJFWSA-N 1 0 301.228 2.245 10 0 DEAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062859439 184257037 /nfs/dbraw/zinc/25/70/37/184257037.db2.gz VZFDUMUUIBFGLC-HNNXBMFYSA-N 1 0 310.419 2.480 10 0 DEAERO COC(=O)c1sc(N2CCC[N@@H+]3CCC[C@@H]3C2)nc1Cl ZINC000062943378 184261996 /nfs/dbraw/zinc/26/19/96/184261996.db2.gz QISLNGIZGKLTDD-SECBINFHSA-N 1 0 315.826 2.258 10 0 DEAERO CC[NH2+]Cc1ccc(O[C@H](C)C(=O)NC)c(Br)c1 ZINC000062701226 184247851 /nfs/dbraw/zinc/24/78/51/184247851.db2.gz JXZYKTDWACLVLG-SECBINFHSA-N 1 0 315.211 2.072 10 0 DEAERO Clc1cccc(NCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000062974868 184263630 /nfs/dbraw/zinc/26/36/30/184263630.db2.gz ONPGGHTUIYJZCV-MRXNPFEDSA-N 1 0 309.841 2.158 10 0 DEAERO NC(=S)c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000062980131 184264518 /nfs/dbraw/zinc/26/45/18/184264518.db2.gz YGNUMXBFXUZXQE-MRXNPFEDSA-N 1 0 303.475 2.381 10 0 DEAERO CCCN(CCCS(C)(=O)=O)C1(C[NH3+])CCCCCC1 ZINC000063014595 184266557 /nfs/dbraw/zinc/26/65/57/184266557.db2.gz FULSVVCUUANXTD-UHFFFAOYSA-N 1 0 304.500 2.185 10 0 DEAERO CC[NH2+]C[C@H](CCCS(C)(=O)=O)Cc1ccccc1F ZINC000063018305 184267298 /nfs/dbraw/zinc/26/72/98/184267298.db2.gz PUEKVQZVJMMHSL-CYBMUJFWSA-N 1 0 301.427 2.419 10 0 DEAERO Cc1cc(Br)ccc1OCC[NH2+]CCN(C)C ZINC000063062778 184269169 /nfs/dbraw/zinc/26/91/69/184269169.db2.gz PJDBSIGTBJSUGO-UHFFFAOYSA-N 1 0 301.228 2.288 10 0 DEAERO C[C@H](CC[NH3+])N(C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000063086065 184269796 /nfs/dbraw/zinc/26/97/96/184269796.db2.gz YSBUFJIEZMAURM-SECBINFHSA-N 1 0 310.341 2.063 10 0 DEAERO CCOCCC[NH2+]CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063132024 184272936 /nfs/dbraw/zinc/27/29/36/184272936.db2.gz IUKXELRYLKIQSV-UHFFFAOYSA-N 1 0 317.476 2.198 10 0 DEAERO CCCc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH2+]C)cc1 ZINC000063168230 184275575 /nfs/dbraw/zinc/27/55/75/184275575.db2.gz IMBNDIBZOLIZFV-HNNXBMFYSA-N 1 0 310.463 2.402 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1F ZINC000063168203 184275582 /nfs/dbraw/zinc/27/55/82/184275582.db2.gz HRLMLOAMIKIJLU-JTQLQIEISA-N 1 0 320.817 2.242 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1C ZINC000063168133 184275831 /nfs/dbraw/zinc/27/58/31/184275831.db2.gz CSRKIRRGIOLVCS-ZDUSSCGKSA-N 1 0 316.854 2.411 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1cc(Br)ccc1F ZINC000063172370 184276031 /nfs/dbraw/zinc/27/60/31/184276031.db2.gz TWUZOUFGTKODIE-GHMZBOCLSA-N 1 0 301.159 2.198 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000536020223 284929302 /nfs/dbraw/zinc/92/93/02/284929302.db2.gz UALIKBLWGPMDAC-HZPDHXFCSA-N 1 0 302.422 2.183 10 0 DEAERO CCOCCCNC(=O)[C@@H](C)[N@H+](C)CCc1ccc(F)cc1 ZINC000065596209 184371172 /nfs/dbraw/zinc/37/11/72/184371172.db2.gz DBGAEDFKFOXNDB-CQSZACIVSA-N 1 0 310.413 2.231 10 0 DEAERO O=C1OCCC12CC[NH+](C[C@@H](O)c1ccccc1Cl)CC2 ZINC000371147853 284946577 /nfs/dbraw/zinc/94/65/77/284946577.db2.gz KVNFUBMASIETPF-CQSZACIVSA-N 1 0 309.793 2.403 10 0 DEAERO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F)NS(C)(=O)=O ZINC000069393994 184512367 /nfs/dbraw/zinc/51/23/67/184512367.db2.gz KGVKEVZCNUPZLX-NXEZZACHSA-N 1 0 316.389 2.025 10 0 DEAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(C)COC2)C1 ZINC000112720413 194512112 /nfs/dbraw/zinc/51/21/12/194512112.db2.gz IADCZAAAUZHMQB-CQSZACIVSA-N 1 0 311.470 2.223 10 0 DEAERO C[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC000117805339 194850418 /nfs/dbraw/zinc/85/04/18/194850418.db2.gz ZDNNCABRSLKPEG-CABCVRRESA-N 1 0 302.418 2.353 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000247656932 285024478 /nfs/dbraw/zinc/02/44/78/285024478.db2.gz YQTUOXZRDHBDSA-QKPAOTATSA-N 1 0 311.470 2.221 10 0 DEAERO CC(C)n1ncc2cc(C(=O)N(C)CCC[NH+](C)C)cnc21 ZINC000538315152 285031308 /nfs/dbraw/zinc/03/13/08/285031308.db2.gz DXQZHLKZXHIVAU-UHFFFAOYSA-N 1 0 303.410 2.036 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000539417438 285076709 /nfs/dbraw/zinc/07/67/09/285076709.db2.gz LNVJPFPBWMWDDZ-UHFFFAOYSA-N 1 0 304.369 2.035 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cncn1-c1ccc(F)cc1 ZINC000539416065 285076004 /nfs/dbraw/zinc/07/60/04/285076004.db2.gz LEZFUDLBGIVQLZ-UHFFFAOYSA-N 1 0 304.369 2.035 10 0 DEAERO CCOc1ccc(C(=O)CCC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000539416149 285076216 /nfs/dbraw/zinc/07/62/16/285076216.db2.gz MSYCRUATVNEQPK-UHFFFAOYSA-N 1 0 320.433 2.458 10 0 DEAERO C[C@H]1CCOCC[N@@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000364614127 404471047 /nfs/dbraw/zinc/47/10/47/404471047.db2.gz PUQWRQHCOPLALI-HNNXBMFYSA-N 1 0 302.418 2.072 10 0 DEAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1cc(F)cc(C(F)(F)F)c1 ZINC000159244833 197339271 /nfs/dbraw/zinc/33/92/71/197339271.db2.gz BRMWPNLAMXDPBY-CHWSQXEVSA-N 1 0 306.303 2.436 10 0 DEAERO [NH3+][C@H](c1cc(F)cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000159215748 197337510 /nfs/dbraw/zinc/33/75/10/197337510.db2.gz KLFZBSYOXQUJBR-CPCISQLKSA-N 1 0 311.300 2.279 10 0 DEAERO CC(C)NC(=O)[C@@H](C[NH3+])Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159198670 197334505 /nfs/dbraw/zinc/33/45/05/197334505.db2.gz ANUQBUPVSFFWFI-SNVBAGLBSA-N 1 0 306.303 2.487 10 0 DEAERO CC[C@H](C)CNS(=O)(=O)c1cc(C)c(F)c(C[NH2+]C)c1 ZINC000159111905 197328396 /nfs/dbraw/zinc/32/83/96/197328396.db2.gz HEOXRPAKELYUGW-JTQLQIEISA-N 1 0 302.415 2.178 10 0 DEAERO Cc1cc(S(=O)(=O)NC(C)C)cc(C[NH2+]C2CC2)c1F ZINC000159080157 197325912 /nfs/dbraw/zinc/32/59/12/197325912.db2.gz LLJPCNZGLZHZTD-UHFFFAOYSA-N 1 0 300.399 2.073 10 0 DEAERO CCCCCN(C)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159067552 197323771 /nfs/dbraw/zinc/32/37/71/197323771.db2.gz PAUQHNCKDNTJBN-UHFFFAOYSA-N 1 0 302.415 2.404 10 0 DEAERO NC(=O)[C@]1([NH2+]Cc2ccccc2)Cc2ccc(Cl)cc2C1 ZINC000158940487 197313400 /nfs/dbraw/zinc/31/34/00/197313400.db2.gz XKWMYWZMMBFHSJ-KRWDZBQOSA-N 1 0 300.789 2.453 10 0 DEAERO CC[C@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc(C)cc1C ZINC000158989747 197317114 /nfs/dbraw/zinc/31/71/14/197317114.db2.gz DZHBFJBOMYOTEO-GJZGRUSLSA-N 1 0 310.463 2.360 10 0 DEAERO COc1csc([C@H](O)c2c(Cl)cnn2CC[NH+](C)C)c1 ZINC000158668622 197292360 /nfs/dbraw/zinc/29/23/60/197292360.db2.gz PMEHPXMNKSPROT-ZDUSSCGKSA-N 1 0 315.826 2.250 10 0 DEAERO CC[NH+](CC)CCNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000158763373 197299962 /nfs/dbraw/zinc/29/99/62/197299962.db2.gz ZUDVOFDTOSSWAB-AWEZNQCLSA-N 1 0 311.451 2.173 10 0 DEAERO CCc1ccc(C[NH3+])cc1S(=O)(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000158753064 197299372 /nfs/dbraw/zinc/29/93/72/197299372.db2.gz CIGOMCGMIUKRCV-HUUCEWRRSA-N 1 0 308.447 2.128 10 0 DEAERO CC[NH2+]Cc1sccc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000158754637 197298814 /nfs/dbraw/zinc/29/88/14/197298814.db2.gz OHWKDIIEHBNOHG-TXEJJXNPSA-N 1 0 314.476 2.278 10 0 DEAERO [NH3+][C@@H](CS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000158740773 197298379 /nfs/dbraw/zinc/29/83/79/197298379.db2.gz UWWHAPMHUOJHQG-KCJUWKMLSA-N 1 0 324.229 2.131 10 0 DEAERO COc1ccc(Br)cc1NC(=O)C[C@H](C)C[NH3+] ZINC000158800546 197302224 /nfs/dbraw/zinc/30/22/24/197302224.db2.gz YHKVAMUEWITFPU-QMMMGPOBSA-N 1 0 301.184 2.381 10 0 DEAERO C[NH2+][C@H]1C[C@H](c2ccc(S(=O)(=O)C(F)F)c(OC)c2)[C@@H]1C ZINC000158633477 197289899 /nfs/dbraw/zinc/28/98/99/197289899.db2.gz IRHKNURGABQEBB-LSJOCFKGSA-N 1 0 319.373 2.403 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)c1cscn1 ZINC000158577239 197284314 /nfs/dbraw/zinc/28/43/14/197284314.db2.gz VZPDJAOGHRVLRS-QMMMGPOBSA-N 1 0 315.240 2.451 10 0 DEAERO [NH3+]C[C@H](c1ccccc1Br)[C@H](O)c1ncccn1 ZINC000158517318 197280526 /nfs/dbraw/zinc/28/05/26/197280526.db2.gz BHILSIIIXYBRPT-PWSUYJOCSA-N 1 0 308.179 2.015 10 0 DEAERO CC(C)S(=O)(=O)Nc1ccc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000158493599 197277521 /nfs/dbraw/zinc/27/75/21/197277521.db2.gz BRINZONWRQRVIO-UHFFFAOYSA-N 1 0 309.313 2.140 10 0 DEAERO Cc1ncsc1CCOC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C ZINC000158317029 197261581 /nfs/dbraw/zinc/26/15/81/197261581.db2.gz HKOJRVXWXCGGEP-STQMWFEESA-N 1 0 300.468 2.396 10 0 DEAERO CC(C)(C)[C@@H]([NH3+])C(=O)Nc1ccc(Sc2nc[nH]n2)cc1 ZINC000158259738 197257906 /nfs/dbraw/zinc/25/79/06/197257906.db2.gz UWULLZYPRTVKQA-NSHDSACASA-N 1 0 305.407 2.268 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000541100161 285155012 /nfs/dbraw/zinc/15/50/12/285155012.db2.gz CJVZAYIXGZBPCF-CYBMUJFWSA-N 1 0 302.422 2.424 10 0 DEAERO C[C@H]([NH2+]C1CCS(=O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000157912174 197225932 /nfs/dbraw/zinc/22/59/32/197225932.db2.gz OWGWWIZZFSLNAX-PCODGMICSA-N 1 0 303.431 2.434 10 0 DEAERO COc1cccc(Br)c1OC[C@H](O)C[NH2+]C(C)C ZINC000157194155 197169409 /nfs/dbraw/zinc/16/94/09/197169409.db2.gz QJMDBLCMWMSKLC-SNVBAGLBSA-N 1 0 318.211 2.195 10 0 DEAERO CCc1csc([C@@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC000157047136 197157952 /nfs/dbraw/zinc/15/79/52/197157952.db2.gz RKJYGEMUSWOHFJ-GFCCVEGCSA-N 1 0 321.446 2.034 10 0 DEAERO C[C@](O)(C[C@@H]1COCC[NH2+]1)c1cc(Br)ccc1F ZINC000156885874 197147513 /nfs/dbraw/zinc/14/75/13/197147513.db2.gz ISHVGCZHQPMHLJ-MFKMUULPSA-N 1 0 318.186 2.174 10 0 DEAERO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000156616901 197127382 /nfs/dbraw/zinc/12/73/82/197127382.db2.gz GHWJQTUXZKJACH-GJZGRUSLSA-N 1 0 319.453 2.095 10 0 DEAERO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccc(C)nc1 ZINC000156434744 197113899 /nfs/dbraw/zinc/11/38/99/197113899.db2.gz VXRQVEFFHBJPCQ-GJZGRUSLSA-N 1 0 321.421 2.114 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccc(C(N)=O)c(C(F)(F)F)c1 ZINC000156232170 197097364 /nfs/dbraw/zinc/09/73/64/197097364.db2.gz QUNCAMWJKOJDKW-IUCAKERBSA-N 1 0 301.312 2.120 10 0 DEAERO [NH3+]Cc1ccc([C@H](O)C[S@@](=O)c2ccc(F)cc2F)cc1 ZINC000155986688 197078063 /nfs/dbraw/zinc/07/80/63/197078063.db2.gz ILJBYTMRMNOHIK-SZNDQCEHSA-N 1 0 311.353 2.265 10 0 DEAERO O=C(NCC[NH2+]C1CC1)c1cccc(F)c1Br ZINC000155982262 197078151 /nfs/dbraw/zinc/07/81/51/197078151.db2.gz ZXNGXCBNZOBPHG-UHFFFAOYSA-N 1 0 301.159 2.070 10 0 DEAERO [NH3+]Cc1ccccc1NC(=O)C[S@](=O)Cc1ccccc1 ZINC000155959084 197077636 /nfs/dbraw/zinc/07/76/36/197077636.db2.gz PHCRRUOGFKZJNP-NRFANRHFSA-N 1 0 302.399 2.033 10 0 DEAERO CC(C)C[C@](C)(C[NH3+])Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000155933442 197076114 /nfs/dbraw/zinc/07/61/14/197076114.db2.gz XRYBVSGUKJGMBT-OAHLLOKOSA-N 1 0 313.467 2.112 10 0 DEAERO COc1ccc(OC)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000155533849 197064185 /nfs/dbraw/zinc/06/41/85/197064185.db2.gz DIECCKWIPJUJDJ-DOMZBBRYSA-N 1 0 306.406 2.162 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000155484208 197059444 /nfs/dbraw/zinc/05/94/44/197059444.db2.gz GSQIKYKDFQOTNO-STQMWFEESA-N 1 0 315.417 2.200 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(Br)c[nH]2)C1 ZINC000155404876 197051485 /nfs/dbraw/zinc/05/14/85/197051485.db2.gz YDZNXITUJVPSNH-SKDRFNHKSA-N 1 0 314.227 2.236 10 0 DEAERO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155189683 197030868 /nfs/dbraw/zinc/03/08/68/197030868.db2.gz CZTNTSHAMSRUIV-GRYCIOLGSA-N 1 0 312.360 2.283 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000245476902 285242183 /nfs/dbraw/zinc/24/21/83/285242183.db2.gz TZVDNPOFRZGYBC-MNAZLIDISA-N 1 0 309.498 2.486 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000245977324 285256884 /nfs/dbraw/zinc/25/68/84/285256884.db2.gz OVMZPZMHYYVUNH-CABCVRRESA-N 1 0 305.426 2.131 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NCC1(O)CCCCC1 ZINC000153225060 196862236 /nfs/dbraw/zinc/86/22/36/196862236.db2.gz MGQMJIPDXILABV-UHFFFAOYSA-N 1 0 320.433 2.052 10 0 DEAERO Cc1ccccc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000120568351 195192136 /nfs/dbraw/zinc/19/21/36/195192136.db2.gz GCZDQERPSVCRNK-UHFFFAOYSA-N 1 0 315.417 2.020 10 0 DEAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000152323178 196806585 /nfs/dbraw/zinc/80/65/85/196806585.db2.gz QHSFTQCUSSHUDZ-YPMHNXCESA-N 1 0 323.824 2.302 10 0 DEAERO CC[C@H]1CN(Cc2ccc(OC)cc2OC)CC[N@@H+]1CCOC ZINC000120908353 195262389 /nfs/dbraw/zinc/26/23/89/195262389.db2.gz DDXGMWGFBNCNLR-INIZCTEOSA-N 1 0 322.449 2.246 10 0 DEAERO CC(C)CCn1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)nn1 ZINC000151573347 196698784 /nfs/dbraw/zinc/69/87/84/196698784.db2.gz HJGSUUPPUSMABE-UHFFFAOYSA-N 1 0 319.453 2.025 10 0 DEAERO CC[C@H]1CN(Cc2cc(OC)cc(OC)c2)CC[N@@H+]1CCOC ZINC000120938640 195267453 /nfs/dbraw/zinc/26/74/53/195267453.db2.gz AOSRUAQZXXEEKJ-INIZCTEOSA-N 1 0 322.449 2.246 10 0 DEAERO CC(C)NC(=O)[C@@H]1C[C@H]2CC[N@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000253371949 257106610 /nfs/dbraw/zinc/10/66/10/257106610.db2.gz CXDBKAZXAPHONQ-ILXRZTDVSA-N 1 0 308.447 2.252 10 0 DEAERO c1ccc(C[N@H+]2C[C@@H]3OC[C@@H](CNc4ccccn4)[C@@H]3C2)nc1 ZINC000248123094 257107924 /nfs/dbraw/zinc/10/79/24/257107924.db2.gz VVDROCJOTBOSNZ-PVAVHDDUSA-N 1 0 310.401 2.036 10 0 DEAERO Cc1nnc([C@@H]2CC[C@H]3[C@H](CCN3CC[NH+]3CCCCC3)O2)o1 ZINC000248051479 257109398 /nfs/dbraw/zinc/10/93/98/257109398.db2.gz XFXPGYFEAYGOPP-JYJNAYRXSA-N 1 0 320.437 2.158 10 0 DEAERO CC1=N[C@]2(CC[C@H]3C[N@H+](Cc4ccc(F)cc4)C[C@H]32)C(=O)N1C ZINC000248005770 257111489 /nfs/dbraw/zinc/11/14/89/257111489.db2.gz BWGJXZJKYYMHLM-LESCRADOSA-N 1 0 315.392 2.297 10 0 DEAERO Cc1noc([C@]23CCO[C@H]2CC[N@H+](Cc2scnc2C)C3)n1 ZINC000247995208 257113147 /nfs/dbraw/zinc/11/31/47/257113147.db2.gz CSKILGSPLQPYSV-ZFWWWQNUSA-N 1 0 320.418 2.076 10 0 DEAERO c1ccc(CN2C[C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C2)nc1 ZINC000247876279 257115327 /nfs/dbraw/zinc/11/53/27/257115327.db2.gz ACOZSRMIEDIZFJ-JZXOWHBKSA-N 1 0 301.434 2.014 10 0 DEAERO CC(C)NC(=O)[C@@H]1C[C@H]2CC[N@H+](CCc3ccccc3)C[C@H]2O1 ZINC000253374892 257105870 /nfs/dbraw/zinc/10/58/70/257105870.db2.gz NWEYDZJOTSJOBT-FGTMMUONSA-N 1 0 316.445 2.233 10 0 DEAERO Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)c2cc(O)cc(O)c2)ccc1O ZINC000504206307 257149892 /nfs/dbraw/zinc/14/98/92/257149892.db2.gz GKPSWMCVKWAJSE-KZULUSFZSA-N 1 0 317.385 2.366 10 0 DEAERO C[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)C[C@@H]1CC=CCC1 ZINC000544114496 285332391 /nfs/dbraw/zinc/33/23/91/285332391.db2.gz IDUOJUASOOEGKZ-CQSZACIVSA-N 1 0 316.401 2.320 10 0 DEAERO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000121914576 195372687 /nfs/dbraw/zinc/37/26/87/195372687.db2.gz BLAHEXRGFNKUSW-INIZCTEOSA-N 1 0 303.450 2.200 10 0 DEAERO Cc1nn(C)c(COCC[C@H]2CC[NH2+]C2)c1Br ZINC000122408992 195446803 /nfs/dbraw/zinc/44/68/03/195446803.db2.gz KUVNNXBYSYAVTE-SNVBAGLBSA-N 1 0 302.216 2.007 10 0 DEAERO OCC1(C[NH2+]C[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000122411040 195447152 /nfs/dbraw/zinc/44/71/52/195447152.db2.gz RQAOTLBWXKYOMA-LBPRGKRZSA-N 1 0 312.207 2.115 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000122205725 195419317 /nfs/dbraw/zinc/41/93/17/195419317.db2.gz XHKMANVDSATQNV-GXTWGEPZSA-N 1 0 304.415 2.198 10 0 DEAERO CCOCCN(CCOCC)c1ncc(C[NH2+]C)cc1Cl ZINC000124313124 195626948 /nfs/dbraw/zinc/62/69/48/195626948.db2.gz HDSWKUPVDWULDZ-UHFFFAOYSA-N 1 0 315.845 2.334 10 0 DEAERO Cc1nc(Sc2ccc3c(c2)OCCO3)c(C)c(NN)[nH+]1 ZINC000124374213 195634293 /nfs/dbraw/zinc/63/42/93/195634293.db2.gz YJEZGZARINHGPZ-UHFFFAOYSA-N 1 0 304.375 2.301 10 0 DEAERO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1C ZINC000124499970 195647463 /nfs/dbraw/zinc/64/74/63/195647463.db2.gz HARXGIXKTWPEMH-SFHVURJKSA-N 1 0 316.445 2.374 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](C)C(=O)N2CCC[NH+]2CCCC2)s1 ZINC000124996431 195701252 /nfs/dbraw/zinc/70/12/52/195701252.db2.gz VYOMURXKOAOKAW-UKRRQHHQSA-N 1 0 307.463 2.361 10 0 DEAERO CCOC(=O)[C@H]1CCC[C@H]([NH2+]CCCCOCCOC)C1 ZINC000125998878 195801587 /nfs/dbraw/zinc/80/15/87/195801587.db2.gz DCMQMSFLFYMFCR-GJZGRUSLSA-N 1 0 301.427 2.141 10 0 DEAERO Cc1c(NCCOCC(F)(F)F)nc(C(C)C)[nH+]c1NN ZINC000126353010 195831898 /nfs/dbraw/zinc/83/18/98/195831898.db2.gz PGLUJVZGMJQLTH-UHFFFAOYSA-N 1 0 307.320 2.185 10 0 DEAERO Cc1nn(C)c(CC(=O)[C@@]2(C)CCCC[NH2+]2)c1Br ZINC000127149408 195851770 /nfs/dbraw/zinc/85/17/70/195851770.db2.gz MXDBZXPPXGRREE-CYBMUJFWSA-N 1 0 314.227 2.135 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000545150662 285392168 /nfs/dbraw/zinc/39/21/68/285392168.db2.gz OESDEAHRYHJLLO-ARFHVFGLSA-N 1 0 321.465 2.141 10 0 DEAERO COC[C@](C)(O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000545199442 285398102 /nfs/dbraw/zinc/39/81/02/285398102.db2.gz DQTSZVZKNFPALZ-QGZVFWFLSA-N 1 0 309.406 2.129 10 0 DEAERO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](CC(N)=O)CC1 ZINC000299746212 533270919 /nfs/dbraw/zinc/27/09/19/533270919.db2.gz VUOQVNNSEAKYNO-CYBMUJFWSA-N 1 0 301.390 2.044 10 0 DEAERO COC(=O)C1CCC([NH2+]CCCc2nc(C(C)C)no2)CC1 ZINC000192441500 533280964 /nfs/dbraw/zinc/28/09/64/533280964.db2.gz LWAYWMRIGICHEZ-UHFFFAOYSA-N 1 0 309.410 2.447 10 0 DEAERO COc1ccc(CC2CC[NH+](CCCNC(C)=O)CC2)cc1 ZINC000195129663 132544611 /nfs/dbraw/zinc/54/46/11/132544611.db2.gz AHDWLRWNQVIONZ-UHFFFAOYSA-N 1 0 304.434 2.476 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228157060 132552001 /nfs/dbraw/zinc/55/20/01/132552001.db2.gz UVKMGOFADWYPJK-QWRGUYRKSA-N 1 0 302.827 2.006 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CC(=O)N1CCCC[C@@H]1C)CC2 ZINC000245496122 132565847 /nfs/dbraw/zinc/56/58/47/132565847.db2.gz QUPAGPIGLFRCAN-BBWFWOEESA-N 1 0 307.482 2.335 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)c1cnn(C)c1C ZINC000245661416 132568930 /nfs/dbraw/zinc/56/89/30/132568930.db2.gz DFVPIQZGZOAUGC-CFVMTHIKSA-N 1 0 319.453 2.058 10 0 DEAERO COC1CC([NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000546715676 285522383 /nfs/dbraw/zinc/52/23/83/285522383.db2.gz BSFMNAKMSFEZMJ-AGERRDQYSA-N 1 0 304.434 2.043 10 0 DEAERO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242733 542770100 /nfs/dbraw/zinc/77/01/00/542770100.db2.gz NYPJEEIYIPBFDI-DYVFJYSZSA-N 1 0 322.453 2.330 10 0 DEAERO CC(C)NC(=O)C[C@H](C[NH3+])c1cc(Br)cs1 ZINC000725268847 542770551 /nfs/dbraw/zinc/77/05/51/542770551.db2.gz COVCHQFMSKAUQD-MRVPVSSYSA-N 1 0 305.241 2.468 10 0 DEAERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCc2cn[nH]c2)C1 ZINC000357836469 133103607 /nfs/dbraw/zinc/10/36/07/133103607.db2.gz VNPPBIMIBLQUCI-GJZGRUSLSA-N 1 0 321.469 2.010 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000357867750 133106122 /nfs/dbraw/zinc/10/61/22/133106122.db2.gz NWHYNVJDZVEUNO-JSGCOSHPSA-N 1 0 309.458 2.069 10 0 DEAERO COc1ccc(C[NH2+]CCN2CC=C(C)CC2)c(OC)c1OC ZINC000358126608 133123068 /nfs/dbraw/zinc/12/30/68/133123068.db2.gz AXDQRHAMJDLWNG-UHFFFAOYSA-N 1 0 320.433 2.454 10 0 DEAERO C[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)C1CCCC1 ZINC000358142291 133124261 /nfs/dbraw/zinc/12/42/61/133124261.db2.gz QSMHHRUDVLBTAR-HNNXBMFYSA-N 1 0 307.482 2.099 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCCc2cc(F)cc(F)c2)CC1 ZINC000358187808 133127175 /nfs/dbraw/zinc/12/71/75/133127175.db2.gz AYWKRQLTIAIZIH-UHFFFAOYSA-N 1 0 323.387 2.459 10 0 DEAERO Cc1ccc(OCCNC(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000358196410 133127570 /nfs/dbraw/zinc/12/75/70/133127570.db2.gz VJKGUZKMTBZPIZ-UHFFFAOYSA-N 1 0 317.433 2.325 10 0 DEAERO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360492614 133185359 /nfs/dbraw/zinc/18/53/59/133185359.db2.gz SKMQJVZCKFSWEP-UHFFFAOYSA-N 1 0 315.421 2.189 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)c2cccc(CO)c2)CC1 ZINC000362661318 133243784 /nfs/dbraw/zinc/24/37/84/133243784.db2.gz CVPGIAZEGPDLLA-UHFFFAOYSA-N 1 0 304.434 2.373 10 0 DEAERO Cc1ccnc(C2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)n1 ZINC000368223677 133265542 /nfs/dbraw/zinc/26/55/42/133265542.db2.gz UYUBCTNOZPQWBX-UHFFFAOYSA-N 1 0 310.401 2.264 10 0 DEAERO CCCCNC(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000372563442 133358360 /nfs/dbraw/zinc/35/83/60/133358360.db2.gz KKBVZXTUOCQTJI-KRWDZBQOSA-N 1 0 309.498 2.491 10 0 DEAERO COC(=O)c1cc(C[NH+]2CCC(C3CCOCC3)CC2)cn1C ZINC000373253603 133384144 /nfs/dbraw/zinc/38/41/44/133384144.db2.gz FLXXSSQUSDTQTM-UHFFFAOYSA-N 1 0 320.433 2.450 10 0 DEAERO Cc1nccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)n1 ZINC000373528316 133394115 /nfs/dbraw/zinc/39/41/15/133394115.db2.gz JYEAJDAZSRITHU-MRXNPFEDSA-N 1 0 316.449 2.400 10 0 DEAERO C[NH2+]C[C@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000052483905 134766054 /nfs/dbraw/zinc/76/60/54/134766054.db2.gz CNPIZEZZZXEVNX-LBPRGKRZSA-N 1 0 301.356 2.435 10 0 DEAERO CC[NH2+]C[C@H]1CCCCN1c1ccc(S(=O)(=O)CC)cc1 ZINC000053698306 134770229 /nfs/dbraw/zinc/77/02/29/134770229.db2.gz VRGGLMGNQSYYGQ-OAHLLOKOSA-N 1 0 310.463 2.449 10 0 DEAERO [NH3+]CCC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000053705733 134770909 /nfs/dbraw/zinc/77/09/09/134770909.db2.gz URRRKODPMOGLKG-UHFFFAOYSA-N 1 0 318.389 2.248 10 0 DEAERO NC(=[NH2+])c1ccc(N2CCN(c3nccs3)CC2)cc1Cl ZINC000061856406 134803920 /nfs/dbraw/zinc/80/39/20/134803920.db2.gz TWYXYQYHYFWBKX-UHFFFAOYSA-N 1 0 321.837 2.407 10 0 DEAERO c1ncn(-c2ccc(C[NH2+]C[C@@H]3CCCCN3C3CC3)cc2)n1 ZINC000434794051 285588172 /nfs/dbraw/zinc/58/81/72/285588172.db2.gz MNPCAUGCVOAAQS-SFHVURJKSA-N 1 0 311.433 2.374 10 0 DEAERO C([C@@H]1CCN(c2nnc(C3CCOCC3)s2)C1)[NH+]1CCCC1 ZINC000338673448 404472778 /nfs/dbraw/zinc/47/27/78/404472778.db2.gz QNVLTOOHDNRYDP-ZDUSSCGKSA-N 1 0 322.478 2.354 10 0 DEAERO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000245563846 296552372 /nfs/dbraw/zinc/55/23/72/296552372.db2.gz QFUSVFJAJDZHBU-KSZLIROESA-N 1 0 320.502 2.355 10 0 DEAERO O[C@@H]1[C@H](C[NH2+][C@H]2CCC23CCOCC3)CCC12CCOCC2 ZINC000549625816 285850788 /nfs/dbraw/zinc/85/07/88/285850788.db2.gz JJTCMFGBIXTKFJ-HRCADAONSA-N 1 0 309.450 2.103 10 0 DEAERO Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1CCC[NH+]1CCCC1 ZINC000184728211 144948970 /nfs/dbraw/zinc/94/89/70/144948970.db2.gz BBHVFFBEJIJPPH-QGZVFWFLSA-N 1 0 319.424 2.093 10 0 DEAERO CC(C)[C@@](C)(O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000187025810 144993420 /nfs/dbraw/zinc/99/34/20/144993420.db2.gz GMWWZGPSHLUIIM-KRWDZBQOSA-N 1 0 302.422 2.316 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000187513453 145000169 /nfs/dbraw/zinc/00/01/69/145000169.db2.gz RNQPYNQWKCWEOX-MCIONIFRSA-N 1 0 318.421 2.029 10 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/nfs/dbraw/zinc/22/47/89/145224789.db2.gz OQWUSVLUIOBEHZ-WCQYABFASA-N 1 0 314.838 2.021 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)COc1ccccc1F ZINC000261796486 145227173 /nfs/dbraw/zinc/22/71/73/145227173.db2.gz VDVZDLWEFSYRBG-UHFFFAOYSA-N 1 0 316.376 2.235 10 0 DEAERO COCc1cccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000261810780 145228895 /nfs/dbraw/zinc/22/88/95/145228895.db2.gz GMSVMCHRHVQCCD-RVKKMQEKSA-N 1 0 318.417 2.304 10 0 DEAERO [NH3+]C1(C(=O)NCc2ccc(-c3ccccc3)cc2)CCOCC1 ZINC000261814828 145229735 /nfs/dbraw/zinc/22/97/35/145229735.db2.gz JUYXDYFKYPFLSL-UHFFFAOYSA-N 1 0 310.397 2.478 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCN1c2ccccc2CC[C@H]1C ZINC000261820811 145230732 /nfs/dbraw/zinc/23/07/32/145230732.db2.gz NNFDMHVKCSIRFK-OAGGEKHMSA-N 1 0 315.461 2.414 10 0 DEAERO CCC(CC)c1nnc(NC(=O)[C@@H]([NH3+])C2CCOCC2)s1 ZINC000261845436 145233160 /nfs/dbraw/zinc/23/31/60/145233160.db2.gz QYWKGAWRYCVYAV-NSHDSACASA-N 1 0 312.439 2.134 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)n1 ZINC000261862746 145234556 /nfs/dbraw/zinc/23/45/56/145234556.db2.gz ULZWTNYLWMNGDH-MISXGVKJSA-N 1 0 314.389 2.482 10 0 DEAERO CC[C@@H](C)C(=O)N1CSC[C@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000261883231 145237332 /nfs/dbraw/zinc/23/73/32/145237332.db2.gz WRFGWEGCUXYDGV-ZJUUUORDSA-N 1 0 310.423 2.028 10 0 DEAERO [NH3+]C1(C(=O)N2CCC(Cc3ccccc3F)CC2)CCOCC1 ZINC000261895898 145238792 /nfs/dbraw/zinc/23/87/92/145238792.db2.gz RADXUIHYUIXBAL-UHFFFAOYSA-N 1 0 320.408 2.115 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000261917483 145241651 /nfs/dbraw/zinc/24/16/51/145241651.db2.gz ZAUNWSYVBJXXCV-ZDUSSCGKSA-N 1 0 320.481 2.377 10 0 DEAERO C[C@@H](c1nc(-c2cccnc2)no1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261928208 145243285 /nfs/dbraw/zinc/24/32/85/145243285.db2.gz ZNMPTLLGGGFDBZ-WCQYABFASA-N 1 0 301.394 2.252 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cnc2ccccc2n1 ZINC000261931384 145243347 /nfs/dbraw/zinc/24/33/47/145243347.db2.gz WIDVYPFTJIKVLY-JPZVUWATSA-N 1 0 310.401 2.266 10 0 DEAERO COc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1F ZINC000261956883 145247023 /nfs/dbraw/zinc/24/70/23/145247023.db2.gz XGLMHRZWPRDUNM-FABXCBLPSA-N 1 0 322.380 2.305 10 0 DEAERO COc1cccc(CO[C@@H](C)C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261962221 145247374 /nfs/dbraw/zinc/24/73/74/145247374.db2.gz LATVZMVFHWHBHV-BBRMVZONSA-N 1 0 320.433 2.186 10 0 DEAERO Fc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1F ZINC000261966141 145247816 /nfs/dbraw/zinc/24/78/16/145247816.db2.gz QBNBAMBMIMWEBT-BMFZPTHFSA-N 1 0 310.388 2.254 10 0 DEAERO COCc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)ccc1F ZINC000261972928 145248712 /nfs/dbraw/zinc/24/87/12/145248712.db2.gz QUKMLICDMMJDTF-CGTJXYLNSA-N 1 0 322.424 2.219 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1ccc(F)cc1F ZINC000261976941 145248782 /nfs/dbraw/zinc/24/87/82/145248782.db2.gz ZSPXYLMLVOILGJ-SUYBPPKGSA-N 1 0 324.371 2.114 10 0 DEAERO Cc1ccc(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)s1 ZINC000261978989 145249143 /nfs/dbraw/zinc/24/91/43/145249143.db2.gz IZIIXWSNUBCSHX-UHFFFAOYSA-N 1 0 324.471 2.249 10 0 DEAERO CC1(C)CN(C(=O)c2cc3c(c(Cl)c2)OCO3)CC[C@@H]1[NH3+] ZINC000261989580 145251368 /nfs/dbraw/zinc/25/13/68/145251368.db2.gz MSRDOZOUEFIDGU-LBPRGKRZSA-N 1 0 310.781 2.268 10 0 DEAERO Cc1oc(-c2ccco2)nc1CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262024067 145254257 /nfs/dbraw/zinc/25/42/57/145254257.db2.gz OXSOTTAVIAGJGZ-CQSZACIVSA-N 1 0 317.389 2.371 10 0 DEAERO COc1ccc(OC)c(CN(C(=O)[C@H](C)C2C[NH2+]C2)C2CC2)c1 ZINC000262028385 145254495 /nfs/dbraw/zinc/25/44/95/145254495.db2.gz DRAHUGFUPDKAQQ-GFCCVEGCSA-N 1 0 318.417 2.050 10 0 DEAERO Nc1ncc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)s1 ZINC000262070073 145258791 /nfs/dbraw/zinc/25/87/91/145258791.db2.gz RZLOCNISXPGOKI-UHFFFAOYSA-N 1 0 322.478 2.386 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000262086598 145260246 /nfs/dbraw/zinc/26/02/46/145260246.db2.gz UDGKTOHALCKFRH-DWQUBVKVSA-N 1 0 315.417 2.092 10 0 DEAERO C[C@@]1(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000262085362 145260557 /nfs/dbraw/zinc/26/05/57/145260557.db2.gz UGRKNFZUWSIEQX-DOTOQJQBSA-N 1 0 320.412 2.021 10 0 DEAERO Nc1ncc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)s1 ZINC000262110913 145263218 /nfs/dbraw/zinc/26/32/18/145263218.db2.gz WIIICHLWTVQWKA-SNVBAGLBSA-N 1 0 305.407 2.365 10 0 DEAERO [NH3+]C[C@@H]1CN(C(=O)c2c[nH]c(C3CC3)n2)C[C@H]1c1ccccc1 ZINC000262122794 145263956 /nfs/dbraw/zinc/26/39/56/145263956.db2.gz CDNZKFGHZCCYFG-CABCVRRESA-N 1 0 310.401 2.102 10 0 DEAERO CCN(C(=O)[C@@H](C)C1C[NH2+]C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000262202138 145269561 /nfs/dbraw/zinc/26/95/61/145269561.db2.gz NERACVLGQGWCHI-KBPBESRZSA-N 1 0 304.434 2.330 10 0 DEAERO O=C(C1C[NH2+]C1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000262275591 145272659 /nfs/dbraw/zinc/27/26/59/145272659.db2.gz UTPMAKKZSFMCDC-UHFFFAOYSA-N 1 0 316.401 2.296 10 0 DEAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1nc(C)c(C)o1 ZINC000262274965 145272892 /nfs/dbraw/zinc/27/28/92/145272892.db2.gz SYQQXDDOEWDOGJ-OAHLLOKOSA-N 1 0 301.390 2.447 10 0 DEAERO C[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C)c1cccs1 ZINC000262314150 145275724 /nfs/dbraw/zinc/27/57/24/145275724.db2.gz BWZFXDRBDXQJEY-SNVBAGLBSA-N 1 0 319.434 2.086 10 0 DEAERO Cc1ccc([C@H]2CCCN2C(=O)C[C@@H]2COCC[NH2+]2)cc1C ZINC000262347979 145278122 /nfs/dbraw/zinc/27/81/22/145278122.db2.gz GCTXOAFJEJHVMY-IAGOWNOFSA-N 1 0 302.418 2.345 10 0 DEAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)[C@H]1CC12CCCCC2 ZINC000262363969 145279306 /nfs/dbraw/zinc/27/93/06/145279306.db2.gz KSFPSJJBOWGLDP-CYBMUJFWSA-N 1 0 317.437 2.191 10 0 DEAERO COc1cc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc(OC)c1C ZINC000262462262 145285445 /nfs/dbraw/zinc/28/54/45/145285445.db2.gz IQQCNNKNORZNRW-OAHLLOKOSA-N 1 0 306.406 2.212 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1ccc(Cl)cc1 ZINC000262498024 145288315 /nfs/dbraw/zinc/28/83/15/145288315.db2.gz LRASTTIFBPIFRY-CPUCHLNUSA-N 1 0 322.836 2.489 10 0 DEAERO Cc1ccc([C@H](O)CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000262621789 145296782 /nfs/dbraw/zinc/29/67/82/145296782.db2.gz IYBPUNLUEJEFFB-HYVNUMGLSA-N 1 0 304.434 2.170 10 0 DEAERO COc1ccccc1N1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000262677064 145299740 /nfs/dbraw/zinc/29/97/40/145299740.db2.gz SZCZIMGCVYMTDV-CQSZACIVSA-N 1 0 317.433 2.052 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000262742331 145302904 /nfs/dbraw/zinc/30/29/04/145302904.db2.gz CSPNVTGIEMENKR-BLLLJJGKSA-N 1 0 304.415 2.116 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000262745944 145302958 /nfs/dbraw/zinc/30/29/58/145302958.db2.gz DTXOVJOIKQDJPG-LDYMZIIASA-N 1 0 323.245 2.270 10 0 DEAERO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262787965 145305207 /nfs/dbraw/zinc/30/52/07/145305207.db2.gz MSVSBQCRAOEAIW-NWDGAFQWSA-N 1 0 318.808 2.348 10 0 DEAERO CC(C)COc1cccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263108965 145325870 /nfs/dbraw/zinc/32/58/70/145325870.db2.gz ACQJGMYZNFQXRB-OAHLLOKOSA-N 1 0 316.405 2.348 10 0 DEAERO Cc1noc(C2CCC(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])CC2)n1 ZINC000263167262 145331401 /nfs/dbraw/zinc/33/14/01/145331401.db2.gz FJLUDIFEHBYTMD-GROLMSMHSA-N 1 0 320.437 2.428 10 0 DEAERO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000263222623 145337867 /nfs/dbraw/zinc/33/78/67/145337867.db2.gz MEUUCZBUINVPLM-FUHWJXTLSA-N 1 0 312.417 2.396 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cncc(-c3ccccc3)c2)n1 ZINC000263225126 145338757 /nfs/dbraw/zinc/33/87/57/145338757.db2.gz MQLLOGPMWFNPSD-INIZCTEOSA-N 1 0 321.384 2.375 10 0 DEAERO CC(=O)c1ccc(CC(=O)N2CC3CCC2(C[NH3+])CC3)cc1 ZINC000565148075 292137197 /nfs/dbraw/zinc/13/71/97/292137197.db2.gz ATZVWMJJSOJXRH-UHFFFAOYSA-N 1 0 300.402 2.162 10 0 DEAERO c1cn(-c2csc(CN3CC[NH+](CC4CC4)CC3)c2)cn1 ZINC000346198938 146036782 /nfs/dbraw/zinc/03/67/82/146036782.db2.gz FYWARZPECAXZKF-UHFFFAOYSA-N 1 0 302.447 2.461 10 0 DEAERO c1cn(CCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)nn1 ZINC000346872356 146156670 /nfs/dbraw/zinc/15/66/70/146156670.db2.gz XZJGCQVOAWVTSD-RDJZCZTQSA-N 1 0 300.406 2.426 10 0 DEAERO Cn1cnc(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000358380431 147122433 /nfs/dbraw/zinc/12/24/33/147122433.db2.gz LBCHOUWRCVVCFG-GOEBONIOSA-N 1 0 300.406 2.115 10 0 DEAERO COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2C[C@H]2C)c1 ZINC000358563796 147156903 /nfs/dbraw/zinc/15/69/03/147156903.db2.gz QXXKDQLLLYHXKK-GDBMZVCRSA-N 1 0 319.449 2.424 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCCCNc2ccccc2)CC1 ZINC000358645912 147172640 /nfs/dbraw/zinc/17/26/40/147172640.db2.gz HNKNMPBMYQAILO-UHFFFAOYSA-N 1 0 316.449 2.440 10 0 DEAERO COC(=O)[C@@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000358851780 147219378 /nfs/dbraw/zinc/21/93/78/147219378.db2.gz MWXJABMLUAPWTL-SJORKVTESA-N 1 0 302.418 2.192 10 0 DEAERO NC(=O)[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000359440187 147327592 /nfs/dbraw/zinc/32/75/92/147327592.db2.gz OWGKZILGRMXLKA-PBHICJAKSA-N 1 0 312.369 2.033 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000374988711 148312475 /nfs/dbraw/zinc/31/24/75/148312475.db2.gz OLIMSYLOOCSFFY-OAHLLOKOSA-N 1 0 302.418 2.288 10 0 DEAERO c1cc(OCCC[N@@H+]2CCO[C@H](C3CC3)C2)cc2c1OCO2 ZINC000375332992 148360333 /nfs/dbraw/zinc/36/03/33/148360333.db2.gz RTTRQHJRSOQRKS-KRWDZBQOSA-N 1 0 305.374 2.295 10 0 DEAERO C[C@](O)(C[NH2+]Cc1cnc(N2CCCC2)nc1)C1CCCCC1 ZINC000565927341 292190892 /nfs/dbraw/zinc/19/08/92/292190892.db2.gz UEEWTZJYWHTDJQ-SFHVURJKSA-N 1 0 318.465 2.498 10 0 DEAERO CC[NH+]1CCC(CNC(=O)Nc2cn(C)nc2C(C)C)CC1 ZINC000566047169 292199499 /nfs/dbraw/zinc/19/94/99/292199499.db2.gz OANDXJQQEUQKAQ-UHFFFAOYSA-N 1 0 307.442 2.397 10 0 DEAERO C[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)[N@H+](C)Cc1ccccc1 ZINC000111672587 401721061 /nfs/dbraw/zinc/72/10/61/401721061.db2.gz GOXQRMHZRQDTLQ-CQSZACIVSA-N 1 0 323.396 2.210 10 0 DEAERO CC1CC[NH+](CC(=O)N2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000127115815 401721201 /nfs/dbraw/zinc/72/12/01/401721201.db2.gz YTQAYFDWSXHAIW-OAHLLOKOSA-N 1 0 308.447 2.380 10 0 DEAERO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000073989769 401727173 /nfs/dbraw/zinc/72/71/73/401727173.db2.gz DCBKIUDJFJTUIE-CXAGYDPISA-N 1 0 320.408 2.456 10 0 DEAERO CN(C)C(=O)CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127432784 401734811 /nfs/dbraw/zinc/73/48/11/401734811.db2.gz JTABGUIYHCSCFU-UHFFFAOYSA-N 1 0 303.175 2.156 10 0 DEAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C(C)(C)C ZINC000074318170 401735038 /nfs/dbraw/zinc/73/50/38/401735038.db2.gz QZKLHOJMUGKMBY-GFCCVEGCSA-N 1 0 305.422 2.351 10 0 DEAERO C[C@@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)C(C)(C)C ZINC000074317801 401735328 /nfs/dbraw/zinc/73/53/28/401735328.db2.gz YKIGEMLZRMBUPV-LLVKDONJSA-N 1 0 313.405 2.105 10 0 DEAERO C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112288903 401736332 /nfs/dbraw/zinc/73/63/32/401736332.db2.gz JBQPSRWZDULLAB-HUUCEWRRSA-N 1 0 316.449 2.237 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nc2)CC[N@@H+]1C ZINC000127558704 401740084 /nfs/dbraw/zinc/74/00/84/401740084.db2.gz XVABXRAITXGDSW-HOCLYGCPSA-N 1 0 316.449 2.237 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2csc(-c3ccco3)n2)CCO1 ZINC000071878848 401690730 /nfs/dbraw/zinc/69/07/30/401690730.db2.gz KEGCURWXSNWOKC-ZDUSSCGKSA-N 1 0 307.419 2.166 10 0 DEAERO C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1CCCO1 ZINC000071935611 401698521 /nfs/dbraw/zinc/69/85/21/401698521.db2.gz PGEXHGGPNKWUEV-HOTGVXAUSA-N 1 0 311.470 2.365 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ncccn2)cc1F ZINC000112518071 401747559 /nfs/dbraw/zinc/74/75/59/401747559.db2.gz VFEJMMQZFFLRIG-QWRGUYRKSA-N 1 0 318.352 2.302 10 0 DEAERO COc1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000008037578 401747646 /nfs/dbraw/zinc/74/76/46/401747646.db2.gz DPMCESZKDGJIQE-MRXNPFEDSA-N 1 0 321.398 2.178 10 0 DEAERO COc1cc([C@H](C)[NH2+]CCC[S@](C)=O)cc(OC)c1OC ZINC000126828676 401709727 /nfs/dbraw/zinc/70/97/27/401709727.db2.gz HHFBFRMVMXDABK-WIUDPPPLSA-N 1 0 315.435 2.132 10 0 DEAERO C[C@H](CC[NH2+]Cc1csc(-c2ccccn2)n1)[S@@](C)=O ZINC000129482556 401804780 /nfs/dbraw/zinc/80/47/80/401804780.db2.gz XPTIXYUYUPTMLU-GIPWTMENSA-N 1 0 309.460 2.452 10 0 DEAERO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CSC ZINC000075328229 401758134 /nfs/dbraw/zinc/75/81/34/401758134.db2.gz DDJDGVWNYFIYMI-UHFFFAOYSA-N 1 0 323.462 2.139 10 0 DEAERO CCc1cnc(CCNC(=O)N(C)CC2CC[NH+](C)CC2)s1 ZINC000075810982 401769020 /nfs/dbraw/zinc/76/90/20/401769020.db2.gz HICOGFLLLJGZTO-UHFFFAOYSA-N 1 0 324.494 2.231 10 0 DEAERO CCCNC(=O)C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000075826747 401769961 /nfs/dbraw/zinc/76/99/61/401769961.db2.gz XXEFPNXRSVRPEG-GOSISDBHSA-N 1 0 304.434 2.132 10 0 DEAERO CCc1c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)[nH]c(C)c1C(C)=O ZINC000113225990 401770643 /nfs/dbraw/zinc/77/06/43/401770643.db2.gz DPNHGGZOCQYVKG-SMDDNHRTSA-N 1 0 317.433 2.397 10 0 DEAERO Cc1c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cnn1C(C)(C)C ZINC000113222729 401770722 /nfs/dbraw/zinc/77/07/22/401770722.db2.gz FHVMOZDJMUTPOE-JSGCOSHPSA-N 1 0 304.438 2.255 10 0 DEAERO Cc1ccc(C(C)(C)C[N@H+](C)C[C@H](O)CN2CCCC2=O)cc1 ZINC000075861584 401771178 /nfs/dbraw/zinc/77/11/78/401771178.db2.gz YPYJVUQKCDPAOO-KRWDZBQOSA-N 1 0 318.461 2.188 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2oc1=O ZINC000113232228 401771352 /nfs/dbraw/zinc/77/13/52/401771352.db2.gz QHBBHUBUAWZFOU-TZMCWYRMSA-N 1 0 312.369 2.102 10 0 DEAERO CCc1ccccc1OCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113230957 401771968 /nfs/dbraw/zinc/77/19/68/401771968.db2.gz AWBKNCXGQBZLEJ-GOEBONIOSA-N 1 0 302.418 2.323 10 0 DEAERO COc1ccc(CCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1F ZINC000113233317 401772168 /nfs/dbraw/zinc/77/21/68/401772168.db2.gz CGVNMFIVIJJNJS-UKRRQHHQSA-N 1 0 320.408 2.462 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(CCCOc2ccccc2C)CC1 ZINC000075961610 401775250 /nfs/dbraw/zinc/77/52/50/401775250.db2.gz YKHSEZZZZUKJFP-KRWDZBQOSA-N 1 0 306.450 2.152 10 0 DEAERO COc1cccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000128462935 401777729 /nfs/dbraw/zinc/77/77/29/401777729.db2.gz GMLOMOLZHXISLG-RDTXWAMCSA-N 1 0 318.417 2.261 10 0 DEAERO CC[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000128469951 401778606 /nfs/dbraw/zinc/77/86/06/401778606.db2.gz CIZIYADPYYWEEE-DLBZAZTESA-N 1 0 323.481 2.461 10 0 DEAERO Cc1ccn2c(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)cnc2c1 ZINC000128508739 401780175 /nfs/dbraw/zinc/78/01/75/401780175.db2.gz QWILRAOBWFWBBZ-OAHLLOKOSA-N 1 0 310.405 2.146 10 0 DEAERO COCc1ccccc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113590635 401783069 /nfs/dbraw/zinc/78/30/69/401783069.db2.gz VHKKURPONQRSBG-RHSMWYFYSA-N 1 0 317.433 2.211 10 0 DEAERO Cc1cccn2c(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)cnc12 ZINC000128603855 401785160 /nfs/dbraw/zinc/78/51/60/401785160.db2.gz HJHBFKLQBWNXLG-HNNXBMFYSA-N 1 0 310.405 2.146 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000128666412 401787170 /nfs/dbraw/zinc/78/71/70/401787170.db2.gz ABBSXKDAQDCVQT-AEAUEXCSSA-N 1 0 315.417 2.281 10 0 DEAERO Cn1c(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)nnc1C1CC1 ZINC000128785204 401791887 /nfs/dbraw/zinc/79/18/87/401791887.db2.gz UJAXRAMZNJLYEY-KGLIPLIRSA-N 1 0 300.410 2.163 10 0 DEAERO CC[NH+](CC)CCNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114818343 401811307 /nfs/dbraw/zinc/81/13/07/401811307.db2.gz ISYONNPYACQSTN-ZDUSSCGKSA-N 1 0 310.467 2.374 10 0 DEAERO Cc1cccc(CNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC000128994999 401796990 /nfs/dbraw/zinc/79/69/90/401796990.db2.gz XVRIAZZHPNBGNW-HNNXBMFYSA-N 1 0 304.438 2.310 10 0 DEAERO C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000077516038 401818694 /nfs/dbraw/zinc/81/86/94/401818694.db2.gz HWWNAGIBXPWLGO-HOCLYGCPSA-N 1 0 305.422 2.421 10 0 DEAERO CC[NH+](CC)CC(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000117269511 401870810 /nfs/dbraw/zinc/87/08/10/401870810.db2.gz OSQWCWRMFYRLEG-HNNXBMFYSA-N 1 0 319.449 2.122 10 0 DEAERO CC(C)c1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)n(C)n1 ZINC000130230840 401823378 /nfs/dbraw/zinc/82/33/78/401823378.db2.gz BDMSEQFFXMTYOM-UHFFFAOYSA-N 1 0 306.454 2.394 10 0 DEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000077657433 401824128 /nfs/dbraw/zinc/82/41/28/401824128.db2.gz YLKLGYRNXMENBM-BETUJISGSA-N 1 0 310.825 2.456 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@](C)(O)CCC(C)C)C1 ZINC000077691666 401826222 /nfs/dbraw/zinc/82/62/22/401826222.db2.gz KQVDVZZQSZMHTR-NVXWUHKLSA-N 1 0 313.486 2.205 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000130301022 401826455 /nfs/dbraw/zinc/82/64/55/401826455.db2.gz LCSUGNZXABIULF-UHFFFAOYSA-N 1 0 317.433 2.020 10 0 DEAERO CC(C)CC[C@@](C)(O)CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000077774381 401830396 /nfs/dbraw/zinc/83/03/96/401830396.db2.gz GQWYQJJDLGGUID-NVXWUHKLSA-N 1 0 313.486 2.205 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2CCCN(c3cccc(F)c3)C2=O)c1 ZINC000115542908 401831301 /nfs/dbraw/zinc/83/13/01/401831301.db2.gz CRZTXQWOVFHCKW-INIZCTEOSA-N 1 0 316.380 2.116 10 0 DEAERO CCC[NH+](CCC)CCCNC(=O)NC[C@H]1CCCC[C@H]1O ZINC000077809103 401832880 /nfs/dbraw/zinc/83/28/80/401832880.db2.gz ZDTIBBYDZHWERD-HZPDHXFCSA-N 1 0 313.486 2.349 10 0 DEAERO Cn1cc([C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)cn1 ZINC000116113305 401842119 /nfs/dbraw/zinc/84/21/19/401842119.db2.gz MUWRZQHCTJWUJV-MRXNPFEDSA-N 1 0 312.417 2.111 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)c2nc(C)cs2)C1 ZINC000116535575 401854128 /nfs/dbraw/zinc/85/41/28/401854128.db2.gz XXZPZHPXJZVQRX-LBPRGKRZSA-N 1 0 310.467 2.470 10 0 DEAERO C[C@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000078554508 401855556 /nfs/dbraw/zinc/85/55/56/401855556.db2.gz JXNHWSZJMWNFMP-GJZGRUSLSA-N 1 0 311.470 2.460 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCO1 ZINC000116785326 401858631 /nfs/dbraw/zinc/85/86/31/401858631.db2.gz HONIGCODNCXWFP-BZUAXINKSA-N 1 0 322.836 2.233 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc([S@@](C)=O)cc1 ZINC000078615043 401858750 /nfs/dbraw/zinc/85/87/50/401858750.db2.gz BFSBZIWQAMLUFI-SZNDQCEHSA-N 1 0 310.463 2.130 10 0 DEAERO CC[C@@H](Sc1ccccc1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116783280 401858786 /nfs/dbraw/zinc/85/87/86/401858786.db2.gz RMOSUZFDSWDAAJ-GOEBONIOSA-N 1 0 322.474 2.346 10 0 DEAERO Cc1cc(C(=O)NCCC[NH+]2CCCC2)nn1-c1ccccc1 ZINC000078799683 401866368 /nfs/dbraw/zinc/86/63/68/401866368.db2.gz PNWJMWOKQGEPAV-UHFFFAOYSA-N 1 0 312.417 2.396 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)NCCCC2CCCCC2)CCO1 ZINC000117033033 401867115 /nfs/dbraw/zinc/86/71/15/401867115.db2.gz LMYPRBGOTLGELQ-INIZCTEOSA-N 1 0 311.470 2.319 10 0 DEAERO Cc1ccccc1[C@H](C)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117023035 401867175 /nfs/dbraw/zinc/86/71/75/401867175.db2.gz YOKCKVILYVFJHW-LSDHHAIUSA-N 1 0 305.422 2.028 10 0 DEAERO Cc1cccc([C@@H](C)NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000117052180 401867709 /nfs/dbraw/zinc/86/77/09/401867709.db2.gz JUYQILAJYXFOEY-HZPDHXFCSA-N 1 0 319.449 2.336 10 0 DEAERO CC(C)OC(=O)c1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000135057203 401925491 /nfs/dbraw/zinc/92/54/91/401925491.db2.gz JTOPYPOCFFLDKW-KRWDZBQOSA-N 1 0 320.433 2.014 10 0 DEAERO COCCC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CCCC1 ZINC000119104525 401926049 /nfs/dbraw/zinc/92/60/49/401926049.db2.gz AXMVTTNYBUDAJM-JKSUJKDBSA-N 1 0 323.481 2.461 10 0 DEAERO CN(Cc1ccncc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119106420 401926256 /nfs/dbraw/zinc/92/62/56/401926256.db2.gz SBHSQXQYKUIHLH-UHFFFAOYSA-N 1 0 304.438 2.343 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000119205172 401932893 /nfs/dbraw/zinc/93/28/93/401932893.db2.gz BDSPKYWWLAKVRO-ZFWWWQNUSA-N 1 0 305.422 2.191 10 0 DEAERO CCOCCC1(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000132789403 401873574 /nfs/dbraw/zinc/87/35/74/401873574.db2.gz OYRGVHXXZOQOMU-HNNXBMFYSA-N 1 0 309.454 2.073 10 0 DEAERO C[C@@H](Oc1cccnc1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000117803019 401884895 /nfs/dbraw/zinc/88/48/95/401884895.db2.gz SRESMEXXUIMXAB-OAHLLOKOSA-N 1 0 317.433 2.183 10 0 DEAERO COc1cc(C[NH2+][C@H]2CCO[C@H]2C)cc(Br)c1O ZINC000135312101 401935232 /nfs/dbraw/zinc/93/52/32/401935232.db2.gz SIDMTCYVGRJIFF-KWQFWETISA-N 1 0 316.195 2.430 10 0 DEAERO Cc1cnn(CCNC(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000118059623 401890151 /nfs/dbraw/zinc/89/01/51/401890151.db2.gz ONGRUDWOCXGOLQ-UHFFFAOYSA-N 1 0 321.469 2.145 10 0 DEAERO COc1cc(C[NH2+]CCO)cc(Br)c1OC(C)C ZINC000033456716 401891403 /nfs/dbraw/zinc/89/14/03/401891403.db2.gz DEOLQBSBNXSKJL-UHFFFAOYSA-N 1 0 318.211 2.327 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(CC(C)C)C2CC2)[C@H](C)C1 ZINC000081095241 401893876 /nfs/dbraw/zinc/89/38/76/401893876.db2.gz UVWQXNWOWKRIPP-WBVHZDCISA-N 1 0 309.498 2.296 10 0 DEAERO Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000035230409 401897121 /nfs/dbraw/zinc/89/71/21/401897121.db2.gz PJOQCILMFZGPPV-ZDUSSCGKSA-N 1 0 304.415 2.493 10 0 DEAERO CC(C)OCCN1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000081637643 401897199 /nfs/dbraw/zinc/89/71/99/401897199.db2.gz VZQZOGJKFLVOJJ-CQSZACIVSA-N 1 0 324.469 2.471 10 0 DEAERO CC(C)NC(=O)CC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084134022 401902328 /nfs/dbraw/zinc/90/23/28/401902328.db2.gz ADWRIKNOLCRDQE-QGZVFWFLSA-N 1 0 304.434 2.235 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccccn3)cc2)CC1 ZINC000118758460 401907055 /nfs/dbraw/zinc/90/70/55/401907055.db2.gz QVSRSDOTZXVZMX-UHFFFAOYSA-N 1 0 310.401 2.476 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000084729012 401909294 /nfs/dbraw/zinc/90/92/94/401909294.db2.gz PANRKEPNOZYSOK-UHFFFAOYSA-N 1 0 303.225 2.335 10 0 DEAERO CCC1(CO)CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000134668821 401910635 /nfs/dbraw/zinc/91/06/35/401910635.db2.gz YZUODBGNMRJVNC-QGZVFWFLSA-N 1 0 318.461 2.170 10 0 DEAERO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134835388 401916523 /nfs/dbraw/zinc/91/65/23/401916523.db2.gz OVYXDAUJIBGZDW-IUODEOHRSA-N 1 0 306.381 2.340 10 0 DEAERO CNC(=O)CC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000044988147 401953154 /nfs/dbraw/zinc/95/31/54/401953154.db2.gz DPJALENDZDBUOF-NSHDSACASA-N 1 0 300.349 2.335 10 0 DEAERO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1 ZINC000089633103 401954885 /nfs/dbraw/zinc/95/48/85/401954885.db2.gz RHTMOVXOFDGJAB-STQMWFEESA-N 1 0 321.446 2.264 10 0 DEAERO CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090003380 401978331 /nfs/dbraw/zinc/97/83/31/401978331.db2.gz VXSAECIQRJLYNZ-HUUCEWRRSA-N 1 0 307.438 2.406 10 0 DEAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000090037044 401979534 /nfs/dbraw/zinc/97/95/34/401979534.db2.gz VOLZZIYPYCRZEG-GFCCVEGCSA-N 1 0 315.421 2.250 10 0 DEAERO C[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccc2c(c1)OCO2 ZINC000090088380 401980187 /nfs/dbraw/zinc/98/01/87/401980187.db2.gz DDIFFWWBBOQVOC-VIFPVBQESA-N 1 0 318.295 2.087 10 0 DEAERO C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1cccs1 ZINC000047977126 401991707 /nfs/dbraw/zinc/99/17/07/401991707.db2.gz DWZXPOMURCQBQC-CYBMUJFWSA-N 1 0 311.451 2.221 10 0 DEAERO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2CSC)cc1 ZINC000135440517 401939219 /nfs/dbraw/zinc/93/92/19/401939219.db2.gz LNXWDYLNENKUMA-CQSZACIVSA-N 1 0 308.447 2.139 10 0 DEAERO CCOC[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)C(C)C ZINC000191220274 286137642 /nfs/dbraw/zinc/13/76/42/286137642.db2.gz KKWHAUGCTSBBES-UYSNPLJNSA-N 1 0 313.486 2.467 10 0 DEAERO CC1CC[NH+](CC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000135455591 401940527 /nfs/dbraw/zinc/94/05/27/401940527.db2.gz XOQBPYVZIRXRHV-QGZVFWFLSA-N 1 0 318.417 2.024 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccc(Cl)nc1 ZINC000119320169 401941104 /nfs/dbraw/zinc/94/11/04/401941104.db2.gz OWCWCNYJYMGIFP-GXTWGEPZSA-N 1 0 322.840 2.156 10 0 DEAERO CNC(=O)CN1CCC([NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000119341874 401942798 /nfs/dbraw/zinc/94/27/98/401942798.db2.gz UTWHAHFGKXCWCM-HYVNUMGLSA-N 1 0 309.498 2.247 10 0 DEAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](C)CS(C)(=O)=O)C12CCCC2 ZINC000119367432 401945178 /nfs/dbraw/zinc/94/51/78/401945178.db2.gz DNWJQMYWVAYJKQ-QLFBSQMISA-N 1 0 317.495 2.337 10 0 DEAERO C[C@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)[NH+]1CCCCCC1 ZINC000119369853 401945337 /nfs/dbraw/zinc/94/53/37/401945337.db2.gz PFILYJSXXMILDY-GFCCVEGCSA-N 1 0 316.409 2.013 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c(Cl)cc1F ZINC000119393091 401946621 /nfs/dbraw/zinc/94/66/21/401946621.db2.gz NZJCUKNSOJFGDL-SNVBAGLBSA-N 1 0 320.817 2.112 10 0 DEAERO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000119403233 401947582 /nfs/dbraw/zinc/94/75/82/401947582.db2.gz NGZKQHFBVSNSHN-OLZOCXBDSA-N 1 0 306.406 2.413 10 0 DEAERO COCCCNC(=O)C[N@@H+]1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000151046672 402012621 /nfs/dbraw/zinc/01/26/21/402012621.db2.gz VFHAGDNUCTUJFZ-ZBFHGGJFSA-N 1 0 320.433 2.026 10 0 DEAERO CCN1CC[NH+](CCCCNC(=O)NC(C)(CC)CC)CC1 ZINC000121068320 402013335 /nfs/dbraw/zinc/01/33/35/402013335.db2.gz NTARLQAEAAFFDK-UHFFFAOYSA-N 1 0 312.502 2.282 10 0 DEAERO O=C(CC1CCCC1)NC1CC[NH+](CC2=CCCOC2)CC1 ZINC000093321450 402014646 /nfs/dbraw/zinc/01/46/46/402014646.db2.gz HQKZETMOYVOCFD-UHFFFAOYSA-N 1 0 306.450 2.494 10 0 DEAERO C[NH+](C)C[C@@H](NCc1cc(C(N)=O)cs1)c1ccccc1 ZINC000093685369 402018712 /nfs/dbraw/zinc/01/87/12/402018712.db2.gz KUJRXPKGDMODMJ-OAHLLOKOSA-N 1 0 303.431 2.240 10 0 DEAERO CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000121252045 402023265 /nfs/dbraw/zinc/02/32/65/402023265.db2.gz PDZDGOSGFZRYER-LBPRGKRZSA-N 1 0 309.797 2.075 10 0 DEAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000050370794 402027377 /nfs/dbraw/zinc/02/73/77/402027377.db2.gz QGNOCFVUMNFKJG-HZSPNIEDSA-N 1 0 313.394 2.201 10 0 DEAERO O=C1N(CCOc2ccccc2)CC12C[NH+](Cc1ccccc1)C2 ZINC000095937426 402034628 /nfs/dbraw/zinc/03/46/28/402034628.db2.gz IQCQWXMHDOCLMC-UHFFFAOYSA-N 1 0 322.408 2.410 10 0 DEAERO CCC[C@@H](C(=O)NC[C@H](C)Oc1ccc(OC)cc1)[NH+](C)C ZINC000121666997 402048049 /nfs/dbraw/zinc/04/80/49/402048049.db2.gz KYRYSWCOWFSUGR-BBRMVZONSA-N 1 0 308.422 2.309 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000151664425 402049124 /nfs/dbraw/zinc/04/91/24/402049124.db2.gz VVJUGPIPYBQJLX-OAGGEKHMSA-N 1 0 309.454 2.119 10 0 DEAERO CCC[N@H+](CC(=O)NC(N)=O)[C@H](C)c1cc2ccccc2o1 ZINC000053643634 402057908 /nfs/dbraw/zinc/05/79/08/402057908.db2.gz WASYBSCOHKVQLJ-LLVKDONJSA-N 1 0 303.362 2.401 10 0 DEAERO C[C@@H](NCc1nnc(C2CC2)n1C)c1ccc2c(c1)OCO2 ZINC000120756745 402000871 /nfs/dbraw/zinc/00/08/71/402000871.db2.gz XNICOWBPMJRWKJ-SNVBAGLBSA-N 1 0 300.362 2.272 10 0 DEAERO CCC[N@H+](C[C@H](O)COCc1ccco1)C[C@@H]1CCCCO1 ZINC000120870177 402005324 /nfs/dbraw/zinc/00/53/24/402005324.db2.gz MKTADFXOEAOBGQ-HOTGVXAUSA-N 1 0 311.422 2.438 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000048905468 402009154 /nfs/dbraw/zinc/00/91/54/402009154.db2.gz GQSBAIACURXXDG-GFCCVEGCSA-N 1 0 316.854 2.493 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C)c(OC)c2)C1 ZINC000054780766 402072024 /nfs/dbraw/zinc/07/20/24/402072024.db2.gz FMGAYPOSJAJDLR-HNNXBMFYSA-N 1 0 305.422 2.287 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)Cc1cn2ccccc2n1)c1ccccc1 ZINC000122625238 402087635 /nfs/dbraw/zinc/08/76/35/402087635.db2.gz WSIPOYSKZCJWSJ-KRWDZBQOSA-N 1 0 322.412 2.296 10 0 DEAERO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1OC ZINC000152362394 402091727 /nfs/dbraw/zinc/09/17/27/402091727.db2.gz FRYQOOSXGBOZLD-CHWSQXEVSA-N 1 0 306.406 2.284 10 0 DEAERO NC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000122806486 402095229 /nfs/dbraw/zinc/09/52/29/402095229.db2.gz FMLMSDQALVEOAS-UHFFFAOYSA-N 1 0 324.384 2.029 10 0 DEAERO CNC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152473071 402097221 /nfs/dbraw/zinc/09/72/21/402097221.db2.gz ZJEPBONYODFMSX-KRWDZBQOSA-N 1 0 311.385 2.095 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccccn2)C2CC2)C1 ZINC000057870666 402097219 /nfs/dbraw/zinc/09/72/19/402097219.db2.gz NNYBYDCIPYRPRG-HNNXBMFYSA-N 1 0 302.422 2.240 10 0 DEAERO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152533888 402099591 /nfs/dbraw/zinc/09/95/91/402099591.db2.gz JKEJUAHFDKIVJM-WBVHZDCISA-N 1 0 317.433 2.182 10 0 DEAERO COCc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)o1 ZINC000096990237 402100002 /nfs/dbraw/zinc/10/00/02/402100002.db2.gz OHMHDDAGRVPHBK-HNNXBMFYSA-N 1 0 302.374 2.459 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)CCc2nc(C(C)(C)C)no2)CC[N@@H+]1C ZINC000123055784 402108429 /nfs/dbraw/zinc/10/84/29/402108429.db2.gz WZSUUUKQBFLWDD-STQMWFEESA-N 1 0 322.453 2.241 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1F ZINC000152789371 402108863 /nfs/dbraw/zinc/10/88/63/402108863.db2.gz ODVUZXQCFLGPQA-OBJOEFQTSA-N 1 0 324.396 2.169 10 0 DEAERO C[C@H]1CC[C@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)O1 ZINC000153005901 402121996 /nfs/dbraw/zinc/12/19/96/402121996.db2.gz QILBKAMRGOCVNV-SWLSCSKDSA-N 1 0 319.405 2.061 10 0 DEAERO C[N@H+](Cc1csc(Br)c1)CC1(O)CCOCC1 ZINC000123179463 402114515 /nfs/dbraw/zinc/11/45/15/402114515.db2.gz FXDZHQKIOZEUIJ-UHFFFAOYSA-N 1 0 320.252 2.484 10 0 DEAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000123325100 402122237 /nfs/dbraw/zinc/12/22/37/402122237.db2.gz YIZRAGOQHJUPKH-YOEHRIQHSA-N 1 0 317.433 2.253 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCOCC(F)(F)F)[C@H](C)C1 ZINC000122211114 402066968 /nfs/dbraw/zinc/06/69/68/402066968.db2.gz VQODEJPEBKQVFK-VXGBXAGGSA-N 1 0 310.360 2.144 10 0 DEAERO COc1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123683857 402141290 /nfs/dbraw/zinc/14/12/90/402141290.db2.gz OLERKUBGKOKTCZ-HIFRSBDPSA-N 1 0 305.422 2.048 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)N(C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000123519417 402131959 /nfs/dbraw/zinc/13/19/59/402131959.db2.gz QHOXCRGBLBGDSW-PBHICJAKSA-N 1 0 307.482 2.335 10 0 DEAERO O=S(=O)(NCc1ccc2c(c1)C[NH2+]C2)c1cccc(Cl)c1 ZINC000097829541 402133297 /nfs/dbraw/zinc/13/32/97/402133297.db2.gz YDZZCOFLONGNIA-UHFFFAOYSA-N 1 0 322.817 2.422 10 0 DEAERO O=C(NCc1nc(C2CC2)cs1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000123369682 402123868 /nfs/dbraw/zinc/12/38/68/402123868.db2.gz QNOGVZPCTQWRHH-ZDUSSCGKSA-N 1 0 318.446 2.176 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000066835636 402143666 /nfs/dbraw/zinc/14/36/66/402143666.db2.gz BBSOBCLTNTWSKL-QLFBSQMISA-N 1 0 310.438 2.051 10 0 DEAERO CNC(=O)c1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000066874698 402144908 /nfs/dbraw/zinc/14/49/08/402144908.db2.gz HYZXOSHZUVLUIQ-SFHVURJKSA-N 1 0 315.461 2.497 10 0 DEAERO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](O)C(C)C)c1 ZINC000153401723 402143065 /nfs/dbraw/zinc/14/30/65/402143065.db2.gz XNXXSDBFJNINIJ-QGZVFWFLSA-N 1 0 321.465 2.345 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000153497227 402149506 /nfs/dbraw/zinc/14/95/06/402149506.db2.gz WQWQBIGAKAZJON-CVEARBPZSA-N 1 0 304.434 2.233 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1noc2c1CCCCC2 ZINC000153442804 402145863 /nfs/dbraw/zinc/14/58/63/402145863.db2.gz VVFQXYLHSIDHBF-QWHCGFSZSA-N 1 0 303.406 2.252 10 0 DEAERO CCOC[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC000364356856 286166396 /nfs/dbraw/zinc/16/63/96/286166396.db2.gz QVPGNINBLXLGRW-UYTSQGDYSA-N 1 0 311.470 2.362 10 0 DEAERO CCc1noc(CC)c1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000123807213 402147746 /nfs/dbraw/zinc/14/77/46/402147746.db2.gz TXPYUXZNUNJSMD-SWLSCSKDSA-N 1 0 322.453 2.327 10 0 DEAERO CC(C)CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)cc1 ZINC000101583036 402150422 /nfs/dbraw/zinc/15/04/22/402150422.db2.gz QDJPQSCTPWAKDG-QWHCGFSZSA-N 1 0 321.421 2.346 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000123874342 402151449 /nfs/dbraw/zinc/15/14/49/402151449.db2.gz NIPNJXMRJYDYFC-CHWSQXEVSA-N 1 0 319.449 2.170 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)NCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000123969421 402157058 /nfs/dbraw/zinc/15/70/58/402157058.db2.gz XICZGEKMXVHDAB-CZUORRHYSA-N 1 0 323.868 2.371 10 0 DEAERO Cc1cccnc1CNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000124463234 402181419 /nfs/dbraw/zinc/18/14/19/402181419.db2.gz FAENFMWFYNQJDE-OAHLLOKOSA-N 1 0 304.438 2.310 10 0 DEAERO COC[C@@H](C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000103427916 402187352 /nfs/dbraw/zinc/18/73/52/402187352.db2.gz QWNUHNLBWGPLCM-RHSMWYFYSA-N 1 0 320.433 2.231 10 0 DEAERO COC[C@H](C)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000103434363 402187841 /nfs/dbraw/zinc/18/78/41/402187841.db2.gz BCBJTIRKUMYSMF-ZDUSSCGKSA-N 1 0 305.422 2.414 10 0 DEAERO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@H](O)CN1CCOCC1 ZINC000124841087 402200326 /nfs/dbraw/zinc/20/03/26/402200326.db2.gz GKHZJRJUXGQAEA-RTBURBONSA-N 1 0 320.477 2.023 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000101953749 402158933 /nfs/dbraw/zinc/15/89/33/402158933.db2.gz RNJVRVOZVOFCCD-XJKSGUPXSA-N 1 0 317.433 2.351 10 0 DEAERO COc1cccc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000101993181 402160475 /nfs/dbraw/zinc/16/04/75/402160475.db2.gz JETUSIHNEWLTMG-UONOGXRCSA-N 1 0 320.437 2.010 10 0 DEAERO CCCn1cc(NC(=O)c2cccc(C[NH+]3CC=CC3)c2)nn1 ZINC000102371418 402165788 /nfs/dbraw/zinc/16/57/88/402165788.db2.gz PCERJVLIEZESGB-UHFFFAOYSA-N 1 0 311.389 2.312 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)C[C@@H](C)O ZINC000124248473 402170647 /nfs/dbraw/zinc/17/06/47/402170647.db2.gz JXBIZDFYNZUERJ-HUUCEWRRSA-N 1 0 313.486 2.203 10 0 DEAERO COc1ccccc1C[C@@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000153869712 402176216 /nfs/dbraw/zinc/17/62/16/402176216.db2.gz HFHNCRJZVHKKCB-CVEARBPZSA-N 1 0 302.418 2.371 10 0 DEAERO COc1c(CN2CC[NH+](Cc3ccccc3)CC2)c(C)nn1C ZINC000154480528 402214655 /nfs/dbraw/zinc/21/46/55/402214655.db2.gz LSSZMWHSVPVMAQ-UHFFFAOYSA-N 1 0 314.433 2.055 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(OC(F)(F)F)c1 ZINC000154669619 402225482 /nfs/dbraw/zinc/22/54/82/402225482.db2.gz JJLFNYUDQRAMDC-NSHDSACASA-N 1 0 302.296 2.409 10 0 DEAERO Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(C(N)=O)CC3)C2)cc1 ZINC000125446309 402233082 /nfs/dbraw/zinc/23/30/82/402233082.db2.gz VJRSIAFIJTYTCZ-MRXNPFEDSA-N 1 0 316.449 2.097 10 0 DEAERO C[C@]1(CNC(=O)C2(O)CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000154846355 402235883 /nfs/dbraw/zinc/23/58/83/402235883.db2.gz SSOWIXGLKLWGMA-GOSISDBHSA-N 1 0 316.445 2.462 10 0 DEAERO Cc1noc(CCCC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000107667198 402236865 /nfs/dbraw/zinc/23/68/65/402236865.db2.gz VJLSVDBDNQJCDL-OAHLLOKOSA-N 1 0 320.437 2.178 10 0 DEAERO OCC[C@]1(C[NH2+][C@H]2CSCCc3ccccc32)CCOC1 ZINC000125742805 402247974 /nfs/dbraw/zinc/24/79/74/402247974.db2.gz GYKYPOTVDOQDGH-DLBZAZTESA-N 1 0 307.459 2.396 10 0 DEAERO CC(C)c1noc2ncc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc21 ZINC000108329612 402250002 /nfs/dbraw/zinc/25/00/02/402250002.db2.gz RROUAJWOPWMUSB-LBPRGKRZSA-N 1 0 316.405 2.418 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000155563461 402260694 /nfs/dbraw/zinc/26/06/94/402260694.db2.gz GJXMUNRITAKIKM-AWEZNQCLSA-N 1 0 320.433 2.314 10 0 DEAERO C[C@@H](CNC(=O)N1CCO[C@H](c2ccsc2)C1)[N@H+](C)C1CC1 ZINC000124967964 402206232 /nfs/dbraw/zinc/20/62/32/402206232.db2.gz HNDRSOXAQKMQIB-WFASDCNBSA-N 1 0 323.462 2.314 10 0 DEAERO Fc1cccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000185072414 402322441 /nfs/dbraw/zinc/32/24/41/402322441.db2.gz JYFAWYMUHZLPDZ-UHFFFAOYSA-N 1 0 319.355 2.486 10 0 DEAERO ClC(Cl)(Cl)CC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000184579857 402278865 /nfs/dbraw/zinc/27/88/65/402278865.db2.gz CPCJADZUTPPQQG-JTQLQIEISA-N 1 0 301.645 2.153 10 0 DEAERO CC[C@H](C)N(C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000176106571 402278980 /nfs/dbraw/zinc/27/89/80/402278980.db2.gz QCFSVULYBIAEDO-INIZCTEOSA-N 1 0 324.513 2.377 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cnc(C3CC3)nc2)CC[N@@H+]1C ZINC000176113391 402279779 /nfs/dbraw/zinc/27/97/79/402279779.db2.gz LLPCZIPXTJAAFT-BXUZGUMPSA-N 1 0 303.410 2.300 10 0 DEAERO CC1(C)CC[C@@H](C[NH+]2CCC(c3ccnn3CCO)CC2)O1 ZINC000184669680 402290307 /nfs/dbraw/zinc/29/03/07/402290307.db2.gz RSZXFFPNEIBHJE-HNNXBMFYSA-N 1 0 307.438 2.012 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1cc(F)ccc1F ZINC000176400982 402306013 /nfs/dbraw/zinc/30/60/13/402306013.db2.gz MFGXPEJXVZXERE-CQSZACIVSA-N 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/nfs/dbraw/zinc/32/10/28/402321028.db2.gz HRQHLZBNLKCQCX-WBMJQRKESA-N 1 0 304.394 2.058 10 0 DEAERO Cc1ncsc1CN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000176836962 402341549 /nfs/dbraw/zinc/34/15/49/402341549.db2.gz UNLJPTXCKDFUKE-AAEUAGOBSA-N 1 0 310.467 2.322 10 0 DEAERO COc1ccccc1C1(C[NH2+]C2CCN(C(N)=O)CC2)CCC1 ZINC000185295147 402341640 /nfs/dbraw/zinc/34/16/40/402341640.db2.gz AGVVRQNWIRICHB-UHFFFAOYSA-N 1 0 317.433 2.250 10 0 DEAERO CC[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Oc1cccc(C)c1 ZINC000176841400 402342082 /nfs/dbraw/zinc/34/20/82/402342082.db2.gz DMJRWWCCRCLJGH-JKSUJKDBSA-N 1 0 319.449 2.498 10 0 DEAERO C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C1CCCC1 ZINC000185393267 402349068 /nfs/dbraw/zinc/34/90/68/402349068.db2.gz ZUJHVYUPPJOTBN-HNNXBMFYSA-N 1 0 324.513 2.280 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)sc1Cl ZINC000231810355 402357015 /nfs/dbraw/zinc/35/70/15/402357015.db2.gz YATSVZRTNISCEG-VIFPVBQESA-N 1 0 308.856 2.130 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1OCCOC ZINC000177016260 402359552 /nfs/dbraw/zinc/35/95/52/402359552.db2.gz JNNSMMKBLVJXJJ-OAHLLOKOSA-N 1 0 320.433 2.268 10 0 DEAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cnc4ccccn34)C2)no1 ZINC000177288221 402387881 /nfs/dbraw/zinc/38/78/81/402387881.db2.gz PBKOGOLVRCLMDC-CQSZACIVSA-N 1 0 311.389 2.480 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000177032703 402361490 /nfs/dbraw/zinc/36/14/90/402361490.db2.gz WLBBQHRYNLTGJY-ZBFHGGJFSA-N 1 0 323.481 2.014 10 0 DEAERO CCC1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000185566041 402362019 /nfs/dbraw/zinc/36/20/19/402362019.db2.gz GBMKXYBWGYCSGW-QRNKSROTSA-N 1 0 311.470 2.052 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(-c2ccncc2)on1 ZINC000177037142 402362206 /nfs/dbraw/zinc/36/22/06/402362206.db2.gz CMMNFVCMCVCKCS-CQSZACIVSA-N 1 0 314.389 2.293 10 0 DEAERO O=C1NCCC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000236050244 402365338 /nfs/dbraw/zinc/36/53/38/402365338.db2.gz BYZTVRVISVCSFI-LLVKDONJSA-N 1 0 317.614 2.471 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(C)cc2C)CC1 ZINC000177083254 402368273 /nfs/dbraw/zinc/36/82/73/402368273.db2.gz AFGFOOQDBWNJPU-OAHLLOKOSA-N 1 0 305.422 2.224 10 0 DEAERO CC(=O)Nc1cccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000177106550 402370624 /nfs/dbraw/zinc/37/06/24/402370624.db2.gz CLHDNXFIMJZCBZ-BLLLJJGKSA-N 1 0 316.405 2.345 10 0 DEAERO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)CCN1C ZINC000177127195 402372394 /nfs/dbraw/zinc/37/23/94/402372394.db2.gz PDRBTXNRRAJLAP-JSGCOSHPSA-N 1 0 322.428 2.151 10 0 DEAERO C[C@@H]1C[N@H+](CCOc2ccccc2Cl)C[C@@H]1N1CCOCC1 ZINC000177221523 402382670 /nfs/dbraw/zinc/38/26/70/402382670.db2.gz JSSNYZPTBKKBDB-ZBFHGGJFSA-N 1 0 324.852 2.371 10 0 DEAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCCOc1cccc2ccccc21 ZINC000185179841 402330963 /nfs/dbraw/zinc/33/09/63/402330963.db2.gz AFTVDRWSBDLOJP-CVEARBPZSA-N 1 0 301.386 2.036 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(-n2cncn2)c(F)c1)[NH+](C)C ZINC000161666730 402395305 /nfs/dbraw/zinc/39/53/05/402395305.db2.gz KCQIDODMVWNSJI-AWEZNQCLSA-N 1 0 305.357 2.075 10 0 DEAERO C[NH2+]C1CCN(C(=O)Cc2nc(-c3ccsc3)oc2C)CC1 ZINC000237117303 402395343 /nfs/dbraw/zinc/39/53/43/402395343.db2.gz SJRQNSBUDIWQPN-UHFFFAOYSA-N 1 0 319.430 2.464 10 0 DEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000161711448 402396473 /nfs/dbraw/zinc/39/64/73/402396473.db2.gz NCEXGHWGSUCRMA-WMLDXEAASA-N 1 0 305.422 2.202 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000237152495 402396720 /nfs/dbraw/zinc/39/67/20/402396720.db2.gz JUEKJTHJBVHOJN-UHFFFAOYSA-N 1 0 312.417 2.313 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)CCc2cccc3c2OCO3)CC[N@@H+]1C ZINC000186041742 402398113 /nfs/dbraw/zinc/39/81/13/402398113.db2.gz RNCQYEVDOUHACE-DZGCQCFKSA-N 1 0 318.417 2.289 10 0 DEAERO COc1cc(OC)cc([C@@H]2CC[N@H+](CC(=O)NC(C)(C)C)C2)c1 ZINC000177421334 402400879 /nfs/dbraw/zinc/40/08/79/402400879.db2.gz FBQUWTXWHDHHFN-CYBMUJFWSA-N 1 0 320.433 2.408 10 0 DEAERO CC(C)n1ccnc1CN1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000161864769 402401771 /nfs/dbraw/zinc/40/17/71/402401771.db2.gz QQRPTHWXLFAURN-QGZVFWFLSA-N 1 0 319.497 2.066 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1sc(C)nc1C ZINC000177498663 402409428 /nfs/dbraw/zinc/40/94/28/402409428.db2.gz RHWHPZYWEFKMCV-CQSZACIVSA-N 1 0 324.494 2.428 10 0 DEAERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC([NH3+])CC1 ZINC000237508879 402410569 /nfs/dbraw/zinc/41/05/69/402410569.db2.gz CZUPHQNVRFAHCT-HNNXBMFYSA-N 1 0 315.461 2.237 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cn3ccccc3n2)C12CCOCC2 ZINC000186211608 402410737 /nfs/dbraw/zinc/41/07/37/402410737.db2.gz CISRECOJWMKYJY-JKSUJKDBSA-N 1 0 315.417 2.398 10 0 DEAERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000162278225 402415009 /nfs/dbraw/zinc/41/50/09/402415009.db2.gz DMEKMGXYTBLISE-SCLBCKFNSA-N 1 0 320.433 2.156 10 0 DEAERO Cc1nccn1CCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237624575 402415830 /nfs/dbraw/zinc/41/58/30/402415830.db2.gz XIAPVLXLMBOKSI-PMPSAXMXSA-N 1 0 304.438 2.009 10 0 DEAERO COCCC1(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000186283718 402417847 /nfs/dbraw/zinc/41/78/47/402417847.db2.gz MJHGHRRCXBMZPH-INIZCTEOSA-N 1 0 323.481 2.463 10 0 DEAERO CCN(C(=O)[C@@H](C)COC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186309453 402419767 /nfs/dbraw/zinc/41/97/67/402419767.db2.gz HCCKMCRWAALSRE-RDJZCZTQSA-N 1 0 304.434 2.392 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000162540538 402423249 /nfs/dbraw/zinc/42/32/49/402423249.db2.gz UGLWPJVWCQBZRN-YESZJQIVSA-N 1 0 302.418 2.243 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CCCNc2ccccn2)C12CCOCC2 ZINC000186376407 402426043 /nfs/dbraw/zinc/42/60/43/402426043.db2.gz DRLPCNUVQIVOQB-HZPDHXFCSA-N 1 0 319.449 2.447 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCc2cccc3c2OCO3)C1 ZINC000186374265 402426240 /nfs/dbraw/zinc/42/62/40/402426240.db2.gz XJQKSWRKWQJQQS-HIFRSBDPSA-N 1 0 318.417 2.193 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000177713861 402429707 /nfs/dbraw/zinc/42/97/07/402429707.db2.gz IZKXGJIXFOCQEA-YOEHRIQHSA-N 1 0 321.440 2.247 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NCCC1CCCCC1 ZINC000177779440 402435757 /nfs/dbraw/zinc/43/57/57/402435757.db2.gz KHBPIOXPFYBQQQ-QGZVFWFLSA-N 1 0 307.482 2.243 10 0 DEAERO CCC[C@H](C(=O)NC1CCC(O)(c2cccnc2)CC1)[NH+](C)C ZINC000186503794 402437050 /nfs/dbraw/zinc/43/70/50/402437050.db2.gz UELPZWQBBPSOSE-UPTPFMHGSA-N 1 0 319.449 2.058 10 0 DEAERO COc1ccc(O)cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000186525112 402439172 /nfs/dbraw/zinc/43/91/72/402439172.db2.gz NKOCSWWRVMAYDP-CQSZACIVSA-N 1 0 318.417 2.491 10 0 DEAERO COc1cc(OC)cc([C@@H]2CC[N@H+](CCn3ccnc3)C2)c1 ZINC000163237671 402444870 /nfs/dbraw/zinc/44/48/70/402444870.db2.gz VKUAAJIJMIPVKP-CQSZACIVSA-N 1 0 301.390 2.390 10 0 DEAERO C[C@@H]1CC[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)O1 ZINC000177954969 402446597 /nfs/dbraw/zinc/44/65/97/402446597.db2.gz UNBOKYKKEXSRTI-RHSMWYFYSA-N 1 0 302.418 2.466 10 0 DEAERO Cc1ccc([C@@H](CNC(=O)NCC2(CCO)CC2)[NH+](C)C)cc1 ZINC000186618045 402448067 /nfs/dbraw/zinc/44/80/67/402448067.db2.gz RUDJVXQJZYHPQQ-MRXNPFEDSA-N 1 0 319.449 2.060 10 0 DEAERO CC[C@@H](C[N@H+](CC)C[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000186612557 402448085 /nfs/dbraw/zinc/44/80/85/402448085.db2.gz DVFSEUGEKINIIF-HKUYNNGSSA-N 1 0 320.477 2.195 10 0 DEAERO CCC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000161540228 402390777 /nfs/dbraw/zinc/39/07/77/402390777.db2.gz QZPUQQBJZLHLGS-QZTJIDSGSA-N 1 0 317.477 2.498 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(OC)c(F)c1 ZINC000177355376 402393994 /nfs/dbraw/zinc/39/39/94/402393994.db2.gz ULNZRZZVMMZQNA-CQSZACIVSA-N 1 0 323.412 2.460 10 0 DEAERO C[NH2+]C1CCN(C(=O)[C@@H](C)Oc2ccc(SC)cc2)CC1 ZINC000237078287 402394104 /nfs/dbraw/zinc/39/41/04/402394104.db2.gz FYTZGWCDTCSBNA-GFCCVEGCSA-N 1 0 308.447 2.386 10 0 DEAERO Cc1c(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000161630257 402394347 /nfs/dbraw/zinc/39/43/47/402394347.db2.gz ZBFAYJUIMADTNM-AWEZNQCLSA-N 1 0 322.453 2.465 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2COc3ccccc3C2)CC[N@@H+]1C ZINC000246097710 402509833 /nfs/dbraw/zinc/50/98/33/402509833.db2.gz HABPMEKSBRBRSC-VNQPRFMTSA-N 1 0 317.433 2.114 10 0 DEAERO COc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(OC)c1 ZINC000246121024 402511639 /nfs/dbraw/zinc/51/16/39/402511639.db2.gz KJACSSDLTJTXNQ-OLZOCXBDSA-N 1 0 319.405 2.404 10 0 DEAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186665016 402452814 /nfs/dbraw/zinc/45/28/14/402452814.db2.gz JHBIISMITHGVKK-MAUKXSAKSA-N 1 0 305.418 2.294 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)NC2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000178057454 402456215 /nfs/dbraw/zinc/45/62/15/402456215.db2.gz KJEKYBNQJRIDLR-QAPCUYQASA-N 1 0 316.445 2.377 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000246125093 402511915 /nfs/dbraw/zinc/51/19/15/402511915.db2.gz ODRWSNAXINUUMY-SOUVJXGZSA-N 1 0 320.433 2.372 10 0 DEAERO COC[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000245425045 402459245 /nfs/dbraw/zinc/45/92/45/402459245.db2.gz DKFCWCHDWDFUAN-UONOGXRCSA-N 1 0 309.410 2.141 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1COc2ccccc2C1 ZINC000245428963 402460045 /nfs/dbraw/zinc/46/00/45/402460045.db2.gz JSXAXTLWSOEVLA-HOTGVXAUSA-N 1 0 302.418 2.180 10 0 DEAERO COc1ncc(C)cc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246125003 402512105 /nfs/dbraw/zinc/51/21/05/402512105.db2.gz KOAIZUQBCJYWPO-CHWSQXEVSA-N 1 0 304.394 2.099 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCS1 ZINC000164390941 402461872 /nfs/dbraw/zinc/46/18/72/402461872.db2.gz ONGQDLYEPGGRHX-HZPDHXFCSA-N 1 0 321.490 2.354 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC000245470647 402463793 /nfs/dbraw/zinc/46/37/93/402463793.db2.gz NCAMHGFEFYSKTJ-ZBFHGGJFSA-N 1 0 319.449 2.449 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnn(CC(C)C)c1C ZINC000164510010 402463818 /nfs/dbraw/zinc/46/38/18/402463818.db2.gz IBIHNLPEWCKRBP-HNNXBMFYSA-N 1 0 306.454 2.404 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NCc1cccs1 ZINC000245472846 402464167 /nfs/dbraw/zinc/46/41/67/402464167.db2.gz PKUKICRGUIFFKW-ZIAGYGMSSA-N 1 0 309.479 2.169 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H]1CCN(C(C)C)C1=O ZINC000245478099 402464992 /nfs/dbraw/zinc/46/49/92/402464992.db2.gz VBFPWPDXWCTSIN-CABCVRRESA-N 1 0 304.438 2.183 10 0 DEAERO Cc1cccnc1C[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000245535288 402468351 /nfs/dbraw/zinc/46/83/51/402468351.db2.gz KPUPUJHFNWZMOI-BRWVUGGUSA-N 1 0 303.450 2.464 10 0 DEAERO CC[C@@H]1CN(CCC(=O)c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000245609844 402473622 /nfs/dbraw/zinc/47/36/22/402473622.db2.gz UTRLALUUZAYFJC-DOTOQJQBSA-N 1 0 304.434 2.036 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NCCc2ccccn2)[C@H]1c1ccccc1 ZINC000245620377 402474176 /nfs/dbraw/zinc/47/41/76/402474176.db2.gz DXUAYNYNSWBWRS-ZWKOTPCHSA-N 1 0 324.428 2.369 10 0 DEAERO Cc1nnc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000245649032 402476654 /nfs/dbraw/zinc/47/66/54/402476654.db2.gz MIOZWWRYSWYJNG-STQMWFEESA-N 1 0 317.418 2.413 10 0 DEAERO COC(=O)c1cccc(OCC[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1 ZINC000187925080 402512936 /nfs/dbraw/zinc/51/29/36/402512936.db2.gz SWAXFABIOSCVDU-RDTXWAMCSA-N 1 0 321.417 2.335 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccn2)[C@H]1c1ccccc1 ZINC000245663321 402478096 /nfs/dbraw/zinc/47/80/96/402478096.db2.gz QIELEZYDGIIWDJ-DLBZAZTESA-N 1 0 310.401 2.326 10 0 DEAERO CN1CC[C@H](NC(=O)C[C@@H]2CCCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000245674691 402478617 /nfs/dbraw/zinc/47/86/17/402478617.db2.gz KYSXKSMBUCQZAZ-YLQAJVPDSA-N 1 0 324.371 2.395 10 0 DEAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245703681 402480867 /nfs/dbraw/zinc/48/08/67/402480867.db2.gz CURAMFPEZCWRNM-KGLIPLIRSA-N 1 0 322.453 2.038 10 0 DEAERO Cc1cnc([C@H](C)CNC(=O)N2CCC[N@@H+](C3CC3)CC2)s1 ZINC000187079814 402481574 /nfs/dbraw/zinc/48/15/74/402481574.db2.gz PJMOXLXWKUXATE-GFCCVEGCSA-N 1 0 322.478 2.435 10 0 DEAERO CC[C@H]1CN(Cc2cccc3[nH]ccc32)CC[N@@H+]1C[C@H](C)O ZINC000245717227 402482590 /nfs/dbraw/zinc/48/25/90/402482590.db2.gz HEUIZFTUTMCJIY-HOCLYGCPSA-N 1 0 301.434 2.445 10 0 DEAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000170678644 402513239 /nfs/dbraw/zinc/51/32/39/402513239.db2.gz KSTXPCPBFODBOU-SJORKVTESA-N 1 0 302.418 2.288 10 0 DEAERO CCc1ccc([C@@H](CNC(=O)CCCCC(N)=O)[NH+](C)C)cc1 ZINC000187178558 402486672 /nfs/dbraw/zinc/48/66/72/402486672.db2.gz FORUUZWFSAAKSH-MRXNPFEDSA-N 1 0 319.449 2.014 10 0 DEAERO O=C1[C@H](N2CC[N@@H+]3CCC[C@H]3C2)CCCN1c1ccccc1F ZINC000245781514 402487747 /nfs/dbraw/zinc/48/77/47/402487747.db2.gz MGLINLPOLHRZSW-WMLDXEAASA-N 1 0 317.408 2.101 10 0 DEAERO CN1C(=O)CCc2cc(C[NH2+][C@H]3Cc4ccccc4[C@H]3O)ccc21 ZINC000187245427 402490132 /nfs/dbraw/zinc/49/01/32/402490132.db2.gz WJDFLMXKBVWKLB-FXAWDEMLSA-N 1 0 322.408 2.344 10 0 DEAERO COc1ccc(O)cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000187266663 402490875 /nfs/dbraw/zinc/49/08/75/402490875.db2.gz LDMAWGDQRKDYQX-UHFFFAOYSA-N 1 0 314.385 2.392 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)o1 ZINC000245919224 402497408 /nfs/dbraw/zinc/49/74/08/402497408.db2.gz QLWWZVFZVGVEBH-UONOGXRCSA-N 1 0 312.435 2.001 10 0 DEAERO O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000178431855 402497606 /nfs/dbraw/zinc/49/76/06/402497606.db2.gz MJUXOHFHUHSNFI-DOTOQJQBSA-N 1 0 321.465 2.071 10 0 DEAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1 ZINC000187401038 402498158 /nfs/dbraw/zinc/49/81/58/402498158.db2.gz XUODWDDUBYTBEJ-LBPRGKRZSA-N 1 0 319.430 2.197 10 0 DEAERO O=C(NCC1(Cc2ccccc2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178455085 402500730 /nfs/dbraw/zinc/50/07/30/402500730.db2.gz ANYGRORQCRJJAQ-QGZVFWFLSA-N 1 0 313.445 2.499 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCc2ccccc2F)C1 ZINC000245959305 402500958 /nfs/dbraw/zinc/50/09/58/402500958.db2.gz MJTQUAQIUWMDIZ-RDJZCZTQSA-N 1 0 319.424 2.494 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(F)cc2)C1 ZINC000245961457 402500980 /nfs/dbraw/zinc/50/09/80/402500980.db2.gz UVTJEPAJZQSDCM-HOCLYGCPSA-N 1 0 305.397 2.451 10 0 DEAERO CC[C@@H]1CN(C(=O)c2ccc(F)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000246160135 402514008 /nfs/dbraw/zinc/51/40/08/402514008.db2.gz CLCAYGUWNZDDIU-DZGCQCFKSA-N 1 0 308.397 2.051 10 0 DEAERO CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000246160103 402514028 /nfs/dbraw/zinc/51/40/28/402514028.db2.gz QJGSFDIHYBPFGV-DLBZAZTESA-N 1 0 316.449 2.311 10 0 DEAERO O=C([C@H]1CCOc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246018207 402503549 /nfs/dbraw/zinc/50/35/49/402503549.db2.gz NOSTVZKHUVSXFY-HOCLYGCPSA-N 1 0 300.402 2.249 10 0 DEAERO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+](C)C[C@@H]1CCCO1 ZINC000170687745 402514187 /nfs/dbraw/zinc/51/41/87/402514187.db2.gz NXAUQZUIVAVQJD-JSGCOSHPSA-N 1 0 308.447 2.132 10 0 DEAERO C[C@@H]1CN(Cc2cc(Cl)ccc2Cl)CC[N@@H+]1CCO ZINC000187656773 402507304 /nfs/dbraw/zinc/50/73/04/402507304.db2.gz YYIYTRKESUHXLA-LLVKDONJSA-N 1 0 303.233 2.492 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nnc(C(F)F)s1 ZINC000246089668 402508300 /nfs/dbraw/zinc/50/83/00/402508300.db2.gz INNBNZTXHOBOJN-YUMQZZPRSA-N 1 0 317.365 2.176 10 0 DEAERO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187720977 402509555 /nfs/dbraw/zinc/50/95/55/402509555.db2.gz DHYCGBUZYZVXAR-LBPRGKRZSA-N 1 0 315.373 2.194 10 0 DEAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000246103179 402509639 /nfs/dbraw/zinc/50/96/39/402509639.db2.gz NQYIXKITPRXPAH-GOEBONIOSA-N 1 0 308.447 2.248 10 0 DEAERO CC(C)C[C@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246729878 402542815 /nfs/dbraw/zinc/54/28/15/402542815.db2.gz XLTDWTHWMVHJSH-HUUCEWRRSA-N 1 0 302.484 2.026 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000178809715 402542869 /nfs/dbraw/zinc/54/28/69/402542869.db2.gz QMHDGIIYCMXBAT-PBHICJAKSA-N 1 0 314.433 2.491 10 0 DEAERO CCO[C@@H](C)c1nc(CN(C)C(=O)C[NH2+]CC2CC2)cs1 ZINC000178833010 402544848 /nfs/dbraw/zinc/54/48/48/402544848.db2.gz LAAHYALKYIZPLF-NSHDSACASA-N 1 0 311.451 2.199 10 0 DEAERO CN(C)c1nc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ns1 ZINC000246793287 402545168 /nfs/dbraw/zinc/54/51/68/402545168.db2.gz MJZPZFFDZCIDJJ-JSGCOSHPSA-N 1 0 321.494 2.053 10 0 DEAERO COc1ccc([C@@H](CNC(=O)C(C)(C)OC)[NH+]2CCCC2)cc1 ZINC000170967659 402545677 /nfs/dbraw/zinc/54/56/77/402545677.db2.gz UNDHQCCUXNXUCE-MRXNPFEDSA-N 1 0 320.433 2.373 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-c2ncon2)cc1 ZINC000246813877 402545809 /nfs/dbraw/zinc/54/58/09/402545809.db2.gz CFPHEZRLFUBFPR-DOMZBBRYSA-N 1 0 312.373 2.045 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc2ccccc2n1 ZINC000246826171 402546403 /nfs/dbraw/zinc/54/64/03/402546403.db2.gz AKVKWUYAVHLWGQ-KGLIPLIRSA-N 1 0 310.401 2.329 10 0 DEAERO CC(C)OC1CC([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000189580583 402546908 /nfs/dbraw/zinc/54/69/08/402546908.db2.gz ZTHXILFIDXREMN-UHFFFAOYSA-N 1 0 323.412 2.103 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189591285 402547046 /nfs/dbraw/zinc/54/70/46/402547046.db2.gz ZUZCVWBXQREGAC-JKSUJKDBSA-N 1 0 304.434 2.233 10 0 DEAERO CC(=O)Nc1cccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000246876659 402548204 /nfs/dbraw/zinc/54/82/04/402548204.db2.gz CLHDNXFIMJZCBZ-WBMJQRKESA-N 1 0 316.405 2.345 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000246922102 402549645 /nfs/dbraw/zinc/54/96/45/402549645.db2.gz JEMACGWFAWGGII-HRCADAONSA-N 1 0 311.470 2.317 10 0 DEAERO COCc1ccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000246951280 402551153 /nfs/dbraw/zinc/55/11/53/402551153.db2.gz DCKQQOQBLYPTSU-YOEHRIQHSA-N 1 0 317.433 2.211 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](COC)c1ccccc1 ZINC000171038417 402551369 /nfs/dbraw/zinc/55/13/69/402551369.db2.gz MHURYSFFDAZSKK-ZBFHGGJFSA-N 1 0 307.438 2.404 10 0 DEAERO Cc1cccc(C)c1OCCN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246999623 402553061 /nfs/dbraw/zinc/55/30/61/402553061.db2.gz BLZVRLCKASVIPK-DLBZAZTESA-N 1 0 306.450 2.069 10 0 DEAERO COC[C@H](C)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000189697847 402553128 /nfs/dbraw/zinc/55/31/28/402553128.db2.gz MLPYNXMFXFLDBL-HIFRSBDPSA-N 1 0 305.422 2.323 10 0 DEAERO CC(C)C(=O)Nc1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000171075109 402554880 /nfs/dbraw/zinc/55/48/80/402554880.db2.gz KLFFHSDAVGVOPW-OAHLLOKOSA-N 1 0 318.421 2.449 10 0 DEAERO CC(C)C[C@@H]1COCCN1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247367979 402565121 /nfs/dbraw/zinc/56/51/21/402565121.db2.gz OYRBBKGFMXCLMH-XHSDSOJGSA-N 1 0 311.470 2.172 10 0 DEAERO O=C(c1cnc(-c2ccccn2)s1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171299740 402575620 /nfs/dbraw/zinc/57/56/20/402575620.db2.gz OEVIVGSWVCWECJ-LBPRGKRZSA-N 1 0 314.414 2.125 10 0 DEAERO CCCn1nccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000247490703 402569005 /nfs/dbraw/zinc/56/90/05/402569005.db2.gz KXHWXNMLPASWNC-KGLIPLIRSA-N 1 0 305.426 2.384 10 0 DEAERO C[C@H](C(=O)N1CCO[C@@H](c2nccs2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247493934 402569679 /nfs/dbraw/zinc/56/96/79/402569679.db2.gz MGIFJCTVNMEKDW-XJFOESAGSA-N 1 0 323.462 2.304 10 0 DEAERO COc1cccc(CCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247517078 402570516 /nfs/dbraw/zinc/57/05/16/402570516.db2.gz WJBDQYQQDWOFCJ-ZBFHGGJFSA-N 1 0 317.433 2.116 10 0 DEAERO COC(=O)Nc1cccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000247511643 402570669 /nfs/dbraw/zinc/57/06/69/402570669.db2.gz YKZBUHVVHQPNEV-IUODEOHRSA-N 1 0 319.405 2.323 10 0 DEAERO C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247520367 402570726 /nfs/dbraw/zinc/57/07/26/402570726.db2.gz WQQWLVYMBRPNJE-KCQAQPDRSA-N 1 0 306.381 2.288 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000179141636 402575919 /nfs/dbraw/zinc/57/59/19/402575919.db2.gz BSWCJYMMRKLLBP-UHFFFAOYSA-N 1 0 318.808 2.350 10 0 DEAERO O=C(CC1CCC2(CC1)OCCO2)N1CCC[N@@H+](C2CC2)CC1 ZINC000188341379 402519485 /nfs/dbraw/zinc/51/94/85/402519485.db2.gz YVZOXBMRROOSRV-UHFFFAOYSA-N 1 0 322.449 2.007 10 0 DEAERO O[C@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1F ZINC000246246632 402520522 /nfs/dbraw/zinc/52/05/22/402520522.db2.gz VSHPWPBXUCIEEC-SUMWQHHRSA-N 1 0 310.388 2.416 10 0 DEAERO CCc1oc(C(=O)OC)cc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246382540 402527933 /nfs/dbraw/zinc/52/79/33/402527933.db2.gz OXKYYCALDYCCRZ-OCCSQVGLSA-N 1 0 306.406 2.297 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)[C@H](C)C1 ZINC000246374447 402528202 /nfs/dbraw/zinc/52/82/02/402528202.db2.gz HUILIQZPXDNSOH-ALYAQQCSSA-N 1 0 323.481 2.316 10 0 DEAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000188964225 402529327 /nfs/dbraw/zinc/52/93/27/402529327.db2.gz FVLBGTDRBHWQJR-WCQYABFASA-N 1 0 324.387 2.172 10 0 DEAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000178708218 402529368 /nfs/dbraw/zinc/52/93/68/402529368.db2.gz PGJYOAQXGLKCGF-HNNXBMFYSA-N 1 0 305.422 2.492 10 0 DEAERO Cc1cccc(C)c1OC[C@@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170833985 402530714 /nfs/dbraw/zinc/53/07/14/402530714.db2.gz FEQOYQBLXVONTP-HZPDHXFCSA-N 1 0 319.449 2.416 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCCOc3ccccc32)C1 ZINC000170836044 402531509 /nfs/dbraw/zinc/53/15/09/402531509.db2.gz MIRNVLIHXIOIRF-ZFWWWQNUSA-N 1 0 303.406 2.246 10 0 DEAERO CC(C)COC[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000170836068 402531653 /nfs/dbraw/zinc/53/16/53/402531653.db2.gz BFZDQVSLKXLUEH-CABCVRRESA-N 1 0 323.437 2.339 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000170845128 402532233 /nfs/dbraw/zinc/53/22/33/402532233.db2.gz OYLWKQXSPOGZBG-ZDUSSCGKSA-N 1 0 317.433 2.085 10 0 DEAERO c1ccn2c(c1)nnc2C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189276717 402533080 /nfs/dbraw/zinc/53/30/80/402533080.db2.gz MQFVWUHRPITFOB-OAHLLOKOSA-N 1 0 300.406 2.478 10 0 DEAERO Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)n1 ZINC000170862377 402534080 /nfs/dbraw/zinc/53/40/80/402534080.db2.gz PESYGZYFUHKFHV-KRWDZBQOSA-N 1 0 312.417 2.265 10 0 DEAERO COc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1OC(F)F ZINC000170862176 402534268 /nfs/dbraw/zinc/53/42/68/402534268.db2.gz GPVAOBUTULGHSX-LLVKDONJSA-N 1 0 314.332 2.073 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)C1 ZINC000170863391 402534286 /nfs/dbraw/zinc/53/42/86/402534286.db2.gz FMVKXBUCACIFRR-CQSZACIVSA-N 1 0 308.809 2.465 10 0 DEAERO CO[C@@H]1CN(Cc2nnnn2-c2c(C)cccc2C)CC[C@@H]1C ZINC000189364768 402535386 /nfs/dbraw/zinc/53/53/86/402535386.db2.gz MPCDZFGZLRVJOV-SWLSCSKDSA-N 1 0 315.421 2.136 10 0 DEAERO O=C(NC[C@@H]1CCC[NH2+]1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000178768868 402537232 /nfs/dbraw/zinc/53/72/32/402537232.db2.gz ZPUULOZFIRAMQY-ZDUSSCGKSA-N 1 0 304.781 2.008 10 0 DEAERO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1COc2ccccc21 ZINC000170880659 402537247 /nfs/dbraw/zinc/53/72/47/402537247.db2.gz PPIZWTDNDBBNQY-HNNXBMFYSA-N 1 0 303.406 2.103 10 0 DEAERO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000170901521 402539821 /nfs/dbraw/zinc/53/98/21/402539821.db2.gz ILZFTFLVTXKHIX-ZFWWWQNUSA-N 1 0 311.447 2.010 10 0 DEAERO CCOc1ccccc1C(F)(F)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178790034 402539826 /nfs/dbraw/zinc/53/98/26/402539826.db2.gz JCBYWXDVKRUNFR-ZDUSSCGKSA-N 1 0 324.371 2.484 10 0 DEAERO CC[C@H](CC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000246662167 402540307 /nfs/dbraw/zinc/54/03/07/402540307.db2.gz HIPCGSCRUCBZRJ-YESZJQIVSA-N 1 0 318.461 2.484 10 0 DEAERO C[NH+]1CCC(CCNC(=O)NCCCc2ccccn2)CC1 ZINC000179209620 402580885 /nfs/dbraw/zinc/58/08/85/402580885.db2.gz VERKXPNYSHCULH-UHFFFAOYSA-N 1 0 304.438 2.045 10 0 DEAERO CCC[C@H]1CN(C(=O)Cc2ccccc2)CC[N@@H+]1CCOC ZINC000179320832 402585289 /nfs/dbraw/zinc/58/52/89/402585289.db2.gz REXMGAJYFJNLLR-KRWDZBQOSA-N 1 0 304.434 2.188 10 0 DEAERO CC[C@]1(CO)CCC[N@H+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000190221881 402585564 /nfs/dbraw/zinc/58/55/64/402585564.db2.gz BESKTKASWDVIAP-SFHVURJKSA-N 1 0 321.417 2.451 10 0 DEAERO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248508051 402593925 /nfs/dbraw/zinc/59/39/25/402593925.db2.gz XWMVKVUOBDNRRD-DGCLKSJQSA-N 1 0 316.323 2.260 10 0 DEAERO CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000248570104 402596028 /nfs/dbraw/zinc/59/60/28/402596028.db2.gz LREJGIBVCQIKCO-FGTMMUONSA-N 1 0 313.445 2.450 10 0 DEAERO COC(=O)[C@@H](c1ccccc1C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248604088 402597972 /nfs/dbraw/zinc/59/79/72/402597972.db2.gz DXUIIMQOBCAUQK-DOTOQJQBSA-N 1 0 302.418 2.379 10 0 DEAERO O=C(c1sccc1OC(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171587190 402598057 /nfs/dbraw/zinc/59/80/57/402598057.db2.gz QYELBIJWINPEKA-VIFPVBQESA-N 1 0 302.346 2.270 10 0 DEAERO COc1ccccc1[C@@H](CNC(=O)C(C)(C)OC)[NH+]1CCCC1 ZINC000171586109 402598072 /nfs/dbraw/zinc/59/80/72/402598072.db2.gz IGVQQYGSMPSUFV-OAHLLOKOSA-N 1 0 320.433 2.373 10 0 DEAERO Cc1nc(CN2CCC[N@H+](Cc3cccc(F)c3)CC2)no1 ZINC000171592877 402598447 /nfs/dbraw/zinc/59/84/47/402598447.db2.gz NEQVNHXGXPUSMB-UHFFFAOYSA-N 1 0 304.369 2.225 10 0 DEAERO CO[C@H](C)CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000190407711 402598721 /nfs/dbraw/zinc/59/87/21/402598721.db2.gz XXXVGZXLSCWGHE-WBVHZDCISA-N 1 0 319.449 2.375 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[C@H]1C ZINC000190452866 402602397 /nfs/dbraw/zinc/60/23/97/402602397.db2.gz UUIUWNZMOXIESH-HYVNUMGLSA-N 1 0 319.449 2.356 10 0 DEAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2cc[nH]n2)C1 ZINC000190468846 402603558 /nfs/dbraw/zinc/60/35/58/402603558.db2.gz HMTPATUSIYOSIJ-ZDUSSCGKSA-N 1 0 305.451 2.129 10 0 DEAERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000190473318 402603636 /nfs/dbraw/zinc/60/36/36/402603636.db2.gz JQCBCXFIHKTGPA-QGZVFWFLSA-N 1 0 301.434 2.182 10 0 DEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000248706580 402604296 /nfs/dbraw/zinc/60/42/96/402604296.db2.gz ABYGCGGRDMUVKX-UHOFOFEASA-N 1 0 323.868 2.055 10 0 DEAERO Cn1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(C(C)(C)C)n1 ZINC000180067277 402606308 /nfs/dbraw/zinc/60/63/08/402606308.db2.gz QJSCRBAIGFPRAY-AWEZNQCLSA-N 1 0 302.426 2.146 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)C1 ZINC000180163217 402608922 /nfs/dbraw/zinc/60/89/22/402608922.db2.gz SAIWXFKHPVVGOA-SNVBAGLBSA-N 1 0 302.296 2.361 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2ncncc2Cl)[C@@H]1c1ccccc1 ZINC000180196923 402609810 /nfs/dbraw/zinc/60/98/10/402609810.db2.gz INSNLPKCPOGDBI-HIFRSBDPSA-N 1 0 316.792 2.305 10 0 DEAERO CC(C)COC1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000171695546 402611352 /nfs/dbraw/zinc/61/13/52/402611352.db2.gz FTLRCXATPHBRJV-CQSZACIVSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCOC[C@H]1C ZINC000248881431 402612959 /nfs/dbraw/zinc/61/29/59/402612959.db2.gz SKNYXJURVQGUAV-BFYDXBDKSA-N 1 0 304.434 2.296 10 0 DEAERO Cc1cc(C)c(N2CC[C@H]([N@@H+](C)CC[C@H](C)O)C2=O)c(C)c1 ZINC000248968237 402616181 /nfs/dbraw/zinc/61/61/81/402616181.db2.gz CCAGUVCEXACVID-HOTGVXAUSA-N 1 0 304.434 2.420 10 0 DEAERO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000171738471 402616787 /nfs/dbraw/zinc/61/67/87/402616787.db2.gz XOSSJWCTEQNFBG-INIZCTEOSA-N 1 0 317.433 2.493 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000249394926 402628308 /nfs/dbraw/zinc/62/83/08/402628308.db2.gz ZNZJXWWYDQLPLQ-KBPBESRZSA-N 1 0 312.454 2.297 10 0 DEAERO C[C@H](O)C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H](C)CO ZINC000190860899 402628352 /nfs/dbraw/zinc/62/83/52/402628352.db2.gz YFZYMFJFEXQIJW-KBPBESRZSA-N 1 0 323.433 2.206 10 0 DEAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccsc3)C2)CC1 ZINC000180573206 402620267 /nfs/dbraw/zinc/62/02/67/402620267.db2.gz VWYGQTSNZBUBLC-HNNXBMFYSA-N 1 0 322.478 2.382 10 0 DEAERO Cc1cc(C)c(N2CC[C@H]([N@@H+]3CC[C@H]([C@H](C)O)C3)C2=O)c(C)c1 ZINC000249101004 402620755 /nfs/dbraw/zinc/62/07/55/402620755.db2.gz PMQNNSWTJODXBR-ULQDDVLXSA-N 1 0 316.445 2.420 10 0 DEAERO COC[C@@H](C)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000249213181 402623453 /nfs/dbraw/zinc/62/34/53/402623453.db2.gz YTJCKVLHHYGZGS-LSDHHAIUSA-N 1 0 306.454 2.466 10 0 DEAERO Cc1ccc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1O ZINC000180766395 402625259 /nfs/dbraw/zinc/62/52/59/402625259.db2.gz GWZYOZSLULGTFX-AWEZNQCLSA-N 1 0 318.417 2.026 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000180957285 402630852 /nfs/dbraw/zinc/63/08/52/402630852.db2.gz OXHPUERYYNTOPU-YPMHNXCESA-N 1 0 313.467 2.174 10 0 DEAERO Cc1cc(CCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc(C)c1O ZINC000190919982 402631696 /nfs/dbraw/zinc/63/16/96/402631696.db2.gz XNAAVOYWGUSBHH-MRXNPFEDSA-N 1 0 319.449 2.287 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000249635461 402637505 /nfs/dbraw/zinc/63/75/05/402637505.db2.gz RXKPUXGJDSXTSA-LLLHUVSDSA-N 1 0 302.418 2.363 10 0 DEAERO CCOC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000171912693 402633255 /nfs/dbraw/zinc/63/32/55/402633255.db2.gz UMKGFUATHXUBDS-AWEZNQCLSA-N 1 0 320.433 2.482 10 0 DEAERO Cc1ccccc1CCNC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249529760 402633585 /nfs/dbraw/zinc/63/35/85/402633585.db2.gz AQSAPHNTAXXWJR-BEFAXECRSA-N 1 0 318.461 2.137 10 0 DEAERO COC[C@@H](C)C[N@H+](Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000249854180 402643329 /nfs/dbraw/zinc/64/33/29/402643329.db2.gz PWFQHJARCVAQNY-ZWKOTPCHSA-N 1 0 320.477 2.492 10 0 DEAERO Cc1c([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cnn1C(C)C ZINC000191202194 402650435 /nfs/dbraw/zinc/65/04/35/402650435.db2.gz XSXYBMKIKFYRBA-ZBFHGGJFSA-N 1 0 308.470 2.270 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@@H](O)COc2c(C)cccc2C)CC[C@H]1C ZINC000251887167 402650596 /nfs/dbraw/zinc/65/05/96/402650596.db2.gz QBEMHJPJZMDPEN-KBRIMQKVSA-N 1 0 307.434 2.400 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC[C@@H]1C ZINC000251870216 402650779 /nfs/dbraw/zinc/65/07/79/402650779.db2.gz OYFCURJPPBPYRJ-ARFHVFGLSA-N 1 0 311.470 2.031 10 0 DEAERO COc1cc(C[NH2+]C[C@@H](C)OC)cc(Br)c1O ZINC000191209025 402650836 /nfs/dbraw/zinc/65/08/36/402650836.db2.gz AJSNSDGHYGGWAQ-MRVPVSSYSA-N 1 0 304.184 2.288 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCc3ccccc3C2)C1 ZINC000252441899 402652863 /nfs/dbraw/zinc/65/28/63/402652863.db2.gz DKDKSSCQDFJUDL-YJBOKZPZSA-N 1 0 315.461 2.034 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)N1CCCc2ccccc21 ZINC000191260574 402655024 /nfs/dbraw/zinc/65/50/24/402655024.db2.gz UQNNTFAIZMFIMV-ZIAGYGMSSA-N 1 0 302.418 2.200 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)N[C@H]1CCCc2ccccc21 ZINC000173577305 402703485 /nfs/dbraw/zinc/70/34/85/402703485.db2.gz SENCMQDUCGWXMM-KRWDZBQOSA-N 1 0 319.449 2.332 10 0 DEAERO Cn1cc([C@@H]2CC[N@@H+]([C@@H]3CCc4ccccc4NC3=O)C2)cn1 ZINC000192029253 402706958 /nfs/dbraw/zinc/70/69/58/402706958.db2.gz GXTQKGWOKYSERA-RHSMWYFYSA-N 1 0 310.401 2.163 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261556514 402713650 /nfs/dbraw/zinc/71/36/50/402713650.db2.gz VZRYYMGUALNYND-DOTOQJQBSA-N 1 0 303.450 2.094 10 0 DEAERO Cc1nc(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)no1 ZINC000192152023 402714773 /nfs/dbraw/zinc/71/47/73/402714773.db2.gz IKHUGGRQVSXULQ-WFASDCNBSA-N 1 0 320.780 2.093 10 0 DEAERO C[N@H+](CCCO)C1CCN(C(=O)NCCC2CCCC2)CC1 ZINC000172603395 402665691 /nfs/dbraw/zinc/66/56/91/402665691.db2.gz BOCVIPLGJSGEAV-UHFFFAOYSA-N 1 0 311.470 2.055 10 0 DEAERO Cc1ccc(C[C@@H](C)NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000172611156 402666501 /nfs/dbraw/zinc/66/65/01/402666501.db2.gz RLHXTRJEVSPBGO-TZMCWYRMSA-N 1 0 307.463 2.477 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000253549756 402668726 /nfs/dbraw/zinc/66/87/26/402668726.db2.gz WCKQUTWWDSIJSI-VYDXJSESSA-N 1 0 318.392 2.214 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1COc2ccccc2C1 ZINC000253549417 402668763 /nfs/dbraw/zinc/66/87/63/402668763.db2.gz RSQUSBOOGTXDHH-BBWFWOEESA-N 1 0 314.429 2.323 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2snnc2C(C)(C)C)CC[N@@H+]1C ZINC000191430470 402669260 /nfs/dbraw/zinc/66/92/60/402669260.db2.gz WBLBSSHDQUHTGI-WDEREUQCSA-N 1 0 310.467 2.390 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC000253568152 402669395 /nfs/dbraw/zinc/66/93/95/402669395.db2.gz IUUFUHAVQJIFIJ-XHDPSFHLSA-N 1 0 303.406 2.123 10 0 DEAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000182223921 402674009 /nfs/dbraw/zinc/67/40/09/402674009.db2.gz OOXZQFBWCHTXLI-IIAWOOMASA-N 1 0 309.431 2.456 10 0 DEAERO Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173925154 402719414 /nfs/dbraw/zinc/71/94/14/402719414.db2.gz GGVLVICNECBAKA-QGZVFWFLSA-N 1 0 304.434 2.089 10 0 DEAERO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)c1cccs1 ZINC000261907973 402719451 /nfs/dbraw/zinc/71/94/51/402719451.db2.gz INZKTUMXOVPSEM-ZJIFWQFVSA-N 1 0 323.506 2.098 10 0 DEAERO FC(F)(F)Cn1ccnc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172801604 402676617 /nfs/dbraw/zinc/67/66/17/402676617.db2.gz UPEWLKDUPCFISM-GFCCVEGCSA-N 1 0 302.344 2.116 10 0 DEAERO Cc1ccc(Cl)c(OC[C@@H](O)CN2CC[NH+](C3CC3)CC2)c1 ZINC000182273609 402677583 /nfs/dbraw/zinc/67/75/83/402677583.db2.gz VYUXVKPIDHLAJN-HNNXBMFYSA-N 1 0 324.852 2.168 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1cncc(F)c1 ZINC000255116168 402679203 /nfs/dbraw/zinc/67/92/03/402679203.db2.gz ZCOXEPZFYCEFOM-ILNYKDOHSA-N 1 0 303.381 2.319 10 0 DEAERO CCC[C@@H]1CCc2nc(NC(=O)C3([NH3+])CCOCC3)sc2C1 ZINC000261958019 402719933 /nfs/dbraw/zinc/71/99/33/402719933.db2.gz ZYAMYYXJAPBCLC-LLVKDONJSA-N 1 0 323.462 2.495 10 0 DEAERO O=C(/C=C\c1ccnc(Cl)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000255417218 402687375 /nfs/dbraw/zinc/68/73/75/402687375.db2.gz RIDWPSXDHJKGRW-WSNITJDQSA-N 1 0 305.809 2.445 10 0 DEAERO COc1ccccc1CCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000182449370 402690996 /nfs/dbraw/zinc/69/09/96/402690996.db2.gz SYASMNXCIZKQQY-QGZVFWFLSA-N 1 0 315.417 2.225 10 0 DEAERO c1nc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)co1 ZINC000191924561 402699033 /nfs/dbraw/zinc/69/90/33/402699033.db2.gz SLGAFJCKXOHOCV-CYBMUJFWSA-N 1 0 301.394 2.372 10 0 DEAERO COc1ccc([C@H](CNCc2cocn2)[NH+](C)C)cc1OC ZINC000192280278 402720930 /nfs/dbraw/zinc/72/09/30/402720930.db2.gz YWEVAQUJWVDYEE-AWEZNQCLSA-N 1 0 305.378 2.084 10 0 DEAERO CON(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000192379077 402725413 /nfs/dbraw/zinc/72/54/13/402725413.db2.gz FVFQGRWYXNQZSG-MQVJKMGUSA-N 1 0 303.406 2.385 10 0 DEAERO C[C@@H]1C[NH+](CC2CCN(C(=O)NCCC3CC3)CC2)C[C@@H](C)O1 ZINC000174057357 402725434 /nfs/dbraw/zinc/72/54/34/402725434.db2.gz LCMWORUHLGZQPN-HUUCEWRRSA-N 1 0 323.481 2.317 10 0 DEAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000182915876 402726638 /nfs/dbraw/zinc/72/66/38/402726638.db2.gz LPBIBPYNNYYBLA-FZMZJTMJSA-N 1 0 319.792 2.385 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(N2CCCC2=O)cc1 ZINC000262641769 402728747 /nfs/dbraw/zinc/72/87/47/402728747.db2.gz ZSEXLZVGPSTZBQ-CFVMTHIKSA-N 1 0 315.417 2.118 10 0 DEAERO c1cn(CCC[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cn1 ZINC000182963788 402729916 /nfs/dbraw/zinc/72/99/16/402729916.db2.gz WJEMZGHDBBTABE-CQSZACIVSA-N 1 0 300.410 2.079 10 0 DEAERO C[C@@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1nccs1 ZINC000174244821 402733465 /nfs/dbraw/zinc/73/34/65/402733465.db2.gz FYPXNXYPIAOQTD-OLZOCXBDSA-N 1 0 308.451 2.331 10 0 DEAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCc2cccnc21 ZINC000192599742 402739256 /nfs/dbraw/zinc/73/92/56/402739256.db2.gz PRXOEEMXBIQAHL-HZPDHXFCSA-N 1 0 301.434 2.300 10 0 DEAERO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)[C@H]1CCCO1 ZINC000183115877 402740138 /nfs/dbraw/zinc/74/01/38/402740138.db2.gz OTEPQIISQWGXBA-WMLDXEAASA-N 1 0 317.433 2.382 10 0 DEAERO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)[C@@H]1CCCO1 ZINC000183115839 402740257 /nfs/dbraw/zinc/74/02/57/402740257.db2.gz OTEPQIISQWGXBA-YOEHRIQHSA-N 1 0 317.433 2.382 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCCCOC2CCCC2)CC[N@@H+]1C ZINC000174454828 402742021 /nfs/dbraw/zinc/74/20/21/402742021.db2.gz UXQLQRWTRHDEBH-HUUCEWRRSA-N 1 0 311.470 2.460 10 0 DEAERO C[C@H](CNC(=O)[C@@H]1CCOC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000193981015 402780956 /nfs/dbraw/zinc/78/09/56/402780956.db2.gz RJWASOXPOIBLTK-IIDMSEBBSA-N 1 0 316.445 2.222 10 0 DEAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1OC ZINC000183181699 402745030 /nfs/dbraw/zinc/74/50/30/402745030.db2.gz UZPQTHWIZAGDSE-OBJOEFQTSA-N 1 0 322.405 2.188 10 0 DEAERO CC[C@H]1CN(C(=O)c2ccc(C)c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174611808 402748512 /nfs/dbraw/zinc/74/85/12/402748512.db2.gz AAJWZKAMLKSOOK-WBVHZDCISA-N 1 0 304.434 2.221 10 0 DEAERO CC[C@H]1CN(C(=O)Cc2cccc(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174638057 402749490 /nfs/dbraw/zinc/74/94/90/402749490.db2.gz YGMWTTIAAXRPOT-CJNGLKHVSA-N 1 0 324.852 2.186 10 0 DEAERO CS[C@@H](c1nc([C@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263275993 402753131 /nfs/dbraw/zinc/75/31/31/402753131.db2.gz SWFIFPHKCLURES-CHWSQXEVSA-N 1 0 304.419 2.098 10 0 DEAERO C[C@@H](Cc1cccc(F)c1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263283222 402754215 /nfs/dbraw/zinc/75/42/15/402754215.db2.gz UPNFPPNUTDZQHV-FZMZJTMJSA-N 1 0 304.369 2.131 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)c2ccccc2)CC1 ZINC000183432259 402766787 /nfs/dbraw/zinc/76/67/87/402766787.db2.gz OWRYTBVTMBSKFG-HZPDHXFCSA-N 1 0 318.461 2.341 10 0 DEAERO C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(C)(C)O1 ZINC000173995831 402723140 /nfs/dbraw/zinc/72/31/40/402723140.db2.gz JSNKLUZEFVZQMR-FFHGMXDLSA-N 1 0 309.454 2.211 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183690386 402789450 /nfs/dbraw/zinc/78/94/50/402789450.db2.gz MZSSULQSWKCRAK-JTQLQIEISA-N 1 0 302.378 2.113 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000194317168 402792155 /nfs/dbraw/zinc/79/21/55/402792155.db2.gz PHAIBTCVRSZGEL-GFCCVEGCSA-N 1 0 307.394 2.310 10 0 DEAERO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)nn1-c1ccccc1 ZINC000195333616 402842454 /nfs/dbraw/zinc/84/24/54/402842454.db2.gz OOKNCUIJGIXRFT-MRXNPFEDSA-N 1 0 310.401 2.101 10 0 DEAERO O[C@H]1c2ccccc2C[C@H]1[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183811432 402799646 /nfs/dbraw/zinc/79/96/46/402799646.db2.gz QXMPTOBGJORKTR-MJGOQNOKSA-N 1 0 309.413 2.252 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(Cl)c1 ZINC000175398147 402802982 /nfs/dbraw/zinc/80/29/82/402802982.db2.gz BHUOVWWYUJXCIM-ZDUSSCGKSA-N 1 0 316.854 2.445 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NC[C@H](CCO)c1ccccc1 ZINC000183880239 402803111 /nfs/dbraw/zinc/80/31/11/402803111.db2.gz PASWQGYOYWLNRV-HNNXBMFYSA-N 1 0 313.401 2.044 10 0 DEAERO Cc1cscc1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000175407733 402804288 /nfs/dbraw/zinc/80/42/88/402804288.db2.gz WBKYKISNHIZJCS-OAHLLOKOSA-N 1 0 321.490 2.299 10 0 DEAERO CCC1CCC(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000175919400 402842811 /nfs/dbraw/zinc/84/28/11/402842811.db2.gz FOHIUZGESZTGAI-AQFXKWCLSA-N 1 0 323.481 2.319 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](COC)c2ccco2)CC1 ZINC000175420581 402805182 /nfs/dbraw/zinc/80/51/82/402805182.db2.gz LUFGFLFTTHRVAJ-HNNXBMFYSA-N 1 0 323.437 2.388 10 0 DEAERO CC[NH+](CC)CCNC(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000175489055 402811381 /nfs/dbraw/zinc/81/13/81/402811381.db2.gz JEFNWVJZSRTCBY-INIZCTEOSA-N 1 0 311.470 2.461 10 0 DEAERO CCOC[C@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000175514601 402813492 /nfs/dbraw/zinc/81/34/92/402813492.db2.gz IEHLYBDQIPEWBN-IRXDYDNUSA-N 1 0 304.434 2.044 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N1CCC2(CCCC2)C1 ZINC000175521670 402814288 /nfs/dbraw/zinc/81/42/88/402814288.db2.gz FVFGFJSMGJLKIN-UHFFFAOYSA-N 1 0 309.454 2.075 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)C2=Cc3cccc(OC)c3OC2)C1 ZINC000194827689 402817496 /nfs/dbraw/zinc/81/74/96/402817496.db2.gz HYHXGBAISFUYRZ-HNNXBMFYSA-N 1 0 316.401 2.072 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000194918894 402822871 /nfs/dbraw/zinc/82/28/71/402822871.db2.gz APVDLTCKGWPKTL-VFSICIBPSA-N 1 0 308.466 2.474 10 0 DEAERO Cc1ccc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)s1 ZINC000175777923 402831693 /nfs/dbraw/zinc/83/16/93/402831693.db2.gz DNWAUEYVRTXYKO-UHFFFAOYSA-N 1 0 310.467 2.204 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCc3cc(OC)ccc32)C1 ZINC000195155949 402834285 /nfs/dbraw/zinc/83/42/85/402834285.db2.gz QEBMPOVKCKZWCO-CQSZACIVSA-N 1 0 317.433 2.499 10 0 DEAERO CC[NH+](CC)CC(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000175806735 402834690 /nfs/dbraw/zinc/83/46/90/402834690.db2.gz SJLLXUVUUPWPIE-UHFFFAOYSA-N 1 0 308.426 2.420 10 0 DEAERO CCOc1ncccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195223081 402837964 /nfs/dbraw/zinc/83/79/64/402837964.db2.gz RDRBJUKCSJZARI-CYBMUJFWSA-N 1 0 304.394 2.182 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCCC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000184383958 402839651 /nfs/dbraw/zinc/83/96/51/402839651.db2.gz QVNDIPKXBSKFJS-OAGGEKHMSA-N 1 0 311.470 2.460 10 0 DEAERO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000183635257 402783946 /nfs/dbraw/zinc/78/39/46/402783946.db2.gz QQPCMSROVJTKEH-CRAIPNDOSA-N 1 0 312.413 2.323 10 0 DEAERO CCOC(=O)CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000194184763 402786837 /nfs/dbraw/zinc/78/68/37/402786837.db2.gz QGIYTSWBBDSKRX-UHFFFAOYSA-N 1 0 310.825 2.457 10 0 DEAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCOCC1CCC1 ZINC000566536170 292249628 /nfs/dbraw/zinc/24/96/28/292249628.db2.gz NKGFJAHXKMLDAK-LSDHHAIUSA-N 1 0 311.470 2.223 10 0 DEAERO COCCCOC1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000175993005 402846743 /nfs/dbraw/zinc/84/67/43/402846743.db2.gz ZLUZOBJCNKFNPK-UHFFFAOYSA-N 1 0 321.421 2.017 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000176004967 402847422 /nfs/dbraw/zinc/84/74/22/402847422.db2.gz AKLMZVIBFXVDAK-KGLIPLIRSA-N 1 0 305.422 2.424 10 0 DEAERO COC(=O)c1ccc(C[NH+]2CCC(c3ccnn3C)CC2)o1 ZINC000195503401 402847503 /nfs/dbraw/zinc/84/75/03/402847503.db2.gz YZYWDXJAYYFZQP-UHFFFAOYSA-N 1 0 303.362 2.179 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCOC2)c2ccc(F)cc2C1 ZINC000184510694 402847788 /nfs/dbraw/zinc/84/77/88/402847788.db2.gz VKDLVBYQVINCRL-DOTOQJQBSA-N 1 0 306.381 2.388 10 0 DEAERO CC(=O)CSCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000279064759 402900122 /nfs/dbraw/zinc/90/01/22/402900122.db2.gz SUONUNZKZONDGP-INIZCTEOSA-N 1 0 320.458 2.042 10 0 DEAERO CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000272470539 402941106 /nfs/dbraw/zinc/94/11/06/402941106.db2.gz QALVXGPPAJIBOX-HNNXBMFYSA-N 1 0 305.426 2.131 10 0 DEAERO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC000266655975 402981831 /nfs/dbraw/zinc/98/18/31/402981831.db2.gz GWXWKHJNFHCWNZ-WWTUQBGBSA-N 1 0 302.422 2.457 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ncnc2nc[nH]c21 ZINC000274224102 403036736 /nfs/dbraw/zinc/03/67/36/403036736.db2.gz ZJLGIKFAUYYRLE-GXTWGEPZSA-N 1 0 308.389 2.285 10 0 DEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000282262647 403137768 /nfs/dbraw/zinc/13/77/68/403137768.db2.gz HCIXSCSNBCVYAX-QPUJVOFHSA-N 1 0 315.186 2.345 10 0 DEAERO COc1ccc(F)cc1[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170830864 286322252 /nfs/dbraw/zinc/32/22/52/286322252.db2.gz XNDHLKYVIIQQID-YPMHNXCESA-N 1 0 309.385 2.241 10 0 DEAERO C[C@H]1CSCCN(C(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000277388768 403212616 /nfs/dbraw/zinc/21/26/16/403212616.db2.gz JJLDJNHTZXAALX-GFCCVEGCSA-N 1 0 308.451 2.114 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000277544901 403229319 /nfs/dbraw/zinc/22/93/19/403229319.db2.gz SHOGXOXSWKBXRO-TYNCELHUSA-N 1 0 304.390 2.231 10 0 DEAERO c1cnn(-c2ccc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)cc2)c1 ZINC000285446895 403298659 /nfs/dbraw/zinc/29/86/59/403298659.db2.gz YDLJLALJOWRFOZ-GOSISDBHSA-N 1 0 313.401 2.254 10 0 DEAERO CCn1cc(CC[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)cn1 ZINC000286380635 403513284 /nfs/dbraw/zinc/51/32/84/403513284.db2.gz ZBZCBGAZMGWCCM-IRXDYDNUSA-N 1 0 303.381 2.393 10 0 DEAERO CO[C@H]1CCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000332789104 403617638 /nfs/dbraw/zinc/61/76/38/403617638.db2.gz OOPPXXXTENVOTR-IXIBIKRGSA-N 1 0 309.454 2.116 10 0 DEAERO CNC(=O)c1cccnc1NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000301395049 403623411 /nfs/dbraw/zinc/62/34/11/403623411.db2.gz LDACLBLYFGVUSD-AWEZNQCLSA-N 1 0 312.417 2.374 10 0 DEAERO CCn1nccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000332950421 403640157 /nfs/dbraw/zinc/64/01/57/403640157.db2.gz VISCKNCJCNIZMC-GOEBONIOSA-N 1 0 313.405 2.470 10 0 DEAERO c1ccc([C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@H]2CCOC2)cc1 ZINC000343582446 403649437 /nfs/dbraw/zinc/64/94/37/403649437.db2.gz PIEAJWPZBNMVRX-OKYOBFRVSA-N 1 0 316.445 2.217 10 0 DEAERO CCO[C@@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)C12CCCC2 ZINC000333316097 403723393 /nfs/dbraw/zinc/72/33/93/403723393.db2.gz SUZBKZGXKGLUMC-HUUCEWRRSA-N 1 0 321.465 2.262 10 0 DEAERO Cc1cc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cn2ccnc12 ZINC000333320421 403723774 /nfs/dbraw/zinc/72/37/74/403723774.db2.gz MXNUJHPYSNDZID-QGZVFWFLSA-N 1 0 313.405 2.250 10 0 DEAERO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cn2ccnc12 ZINC000333319630 403723929 /nfs/dbraw/zinc/72/39/29/403723929.db2.gz MUOBHGIRXYOCMT-CYBMUJFWSA-N 1 0 301.394 2.152 10 0 DEAERO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333448091 403754287 /nfs/dbraw/zinc/75/42/87/403754287.db2.gz XDIMBBHGUOTQHD-HZPDHXFCSA-N 1 0 323.481 2.223 10 0 DEAERO c1cnc(-c2ccnc(N3CCC(C[NH+]4CCCC4)CC3)n2)cn1 ZINC000333523006 403772904 /nfs/dbraw/zinc/77/29/04/403772904.db2.gz HIYBXCAHNWBFMT-UHFFFAOYSA-N 1 0 324.432 2.246 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2CC)C12CCOCC2 ZINC000248907278 286388653 /nfs/dbraw/zinc/38/86/53/286388653.db2.gz BJUSWLLHUFAGHO-YESZJQIVSA-N 1 0 310.482 2.425 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC=C(c2ccncc2)C1 ZINC000333727106 403834565 /nfs/dbraw/zinc/83/45/65/403834565.db2.gz VNCWPGZGELKGTH-INIZCTEOSA-N 1 0 300.406 2.022 10 0 DEAERO CCOC1(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCCC1 ZINC000333598489 403789466 /nfs/dbraw/zinc/78/94/66/403789466.db2.gz BRRCGKSCTZHHNQ-UHFFFAOYSA-N 1 0 309.454 2.121 10 0 DEAERO C=Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000295293396 403835355 /nfs/dbraw/zinc/83/53/55/403835355.db2.gz UILUCICKHCJOSQ-UKRRQHHQSA-N 1 0 308.447 2.433 10 0 DEAERO O=C(N[C@@H]1CCCC12CCOCC2)N1CCC2(CC[NH2+]C2)CC1 ZINC000333751477 403845331 /nfs/dbraw/zinc/84/53/31/403845331.db2.gz KBACGQUCCRYCAP-OAHLLOKOSA-N 1 0 321.465 2.121 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cnc(C)s2)C[C@@H]1C ZINC000361766914 403853624 /nfs/dbraw/zinc/85/36/24/403853624.db2.gz ALPPVAAXUYYNKI-AAEUAGOBSA-N 1 0 310.467 2.466 10 0 DEAERO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nnnn3CC1)CCCO2 ZINC000333800551 403865202 /nfs/dbraw/zinc/86/52/02/403865202.db2.gz YBHRDGQCZNQWFH-OCCSQVGLSA-N 1 0 317.368 2.021 10 0 DEAERO COCC[C@@H](COC)[NH2+]Cc1cccc(O)c1Br ZINC000315339388 404008990 /nfs/dbraw/zinc/00/89/90/404008990.db2.gz KAKWHPGQJXLYMV-NSHDSACASA-N 1 0 318.211 2.296 10 0 DEAERO COCC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CCC1 ZINC000311662730 403970416 /nfs/dbraw/zinc/97/04/16/403970416.db2.gz GVNIXXBVGPHDPA-SFHVURJKSA-N 1 0 318.461 2.294 10 0 DEAERO c1cn(C[C@@H]2CCC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)nn1 ZINC000369476119 404108616 /nfs/dbraw/zinc/10/86/16/404108616.db2.gz IKBFFCQMWHMNQW-CYBMUJFWSA-N 1 0 312.377 2.173 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)CC2 ZINC000369638035 404174626 /nfs/dbraw/zinc/17/46/26/404174626.db2.gz KTHPMEFNJWTZNK-QWHCGFSZSA-N 1 0 318.465 2.237 10 0 DEAERO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)C1 ZINC000329185769 404259283 /nfs/dbraw/zinc/25/92/83/404259283.db2.gz POUPHKKALOMDNV-YSVLISHTSA-N 1 0 304.438 2.400 10 0 DEAERO c1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)n(-c2ccccc2)n1 ZINC000363941398 404261083 /nfs/dbraw/zinc/26/10/83/404261083.db2.gz WMQCEIVRQTWTQS-YJBOKZPZSA-N 1 0 313.401 2.300 10 0 DEAERO O=C(C[N@@H+]1CCC2(C1)CCCCC2)NC(=O)NCC(F)(F)F ZINC000364836031 404538716 /nfs/dbraw/zinc/53/87/16/404538716.db2.gz CENREAWVTKLCMH-UHFFFAOYSA-N 1 0 321.343 2.031 10 0 DEAERO COc1cccc2c1ncc(C)c2N1CCN2CCOC[C@H]2C1 ZINC000365293695 404603570 /nfs/dbraw/zinc/60/35/70/404603570.db2.gz UZNXPJVTYYYVMY-CQSZACIVSA-N 1 0 313.401 2.073 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+]CCCOCC1CC1 ZINC000291973145 404606858 /nfs/dbraw/zinc/60/68/58/404606858.db2.gz QWTIAJFKNWJVBV-UHFFFAOYSA-N 1 0 300.406 2.233 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)c2ncnc3c2ncn3C2CC2)C[C@@H]1C ZINC000330308932 404622192 /nfs/dbraw/zinc/62/21/92/404622192.db2.gz TWFRDCLPOIEUNO-GXTWGEPZSA-N 1 0 314.437 2.470 10 0 DEAERO COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000365631775 404703233 /nfs/dbraw/zinc/70/32/33/404703233.db2.gz AYOGATAGHFIRJA-UHFFFAOYSA-N 1 0 302.374 2.430 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000375728087 404735336 /nfs/dbraw/zinc/73/53/36/404735336.db2.gz XKNZSUZKCYDYMJ-GOSISDBHSA-N 1 0 317.477 2.310 10 0 DEAERO C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000365897503 404740844 /nfs/dbraw/zinc/74/08/44/404740844.db2.gz XXMXWVUBYYQGNR-MRXNPFEDSA-N 1 0 312.417 2.422 10 0 DEAERO CCOC(=O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000377317947 404836447 /nfs/dbraw/zinc/83/64/47/404836447.db2.gz RCFPQAQTVHXTKM-QGZVFWFLSA-N 1 0 304.434 2.441 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCCC[C@H]1c1ccnn1C)C1CC1 ZINC000376129694 404806461 /nfs/dbraw/zinc/80/64/61/404806461.db2.gz HZBGCIPXOKPEJQ-INIZCTEOSA-N 1 0 319.453 2.141 10 0 DEAERO CN(C(=O)c1occc1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000434266521 404876035 /nfs/dbraw/zinc/87/60/35/404876035.db2.gz MTOMBPNCAZMXRO-LLVKDONJSA-N 1 0 313.195 2.208 10 0 DEAERO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC2(C1)CCCCC2 ZINC000377877462 404849690 /nfs/dbraw/zinc/84/96/90/404849690.db2.gz BRRBAYVIWCWJBL-JKSUJKDBSA-N 1 0 321.465 2.215 10 0 DEAERO c1cc(-c2ccc(C[NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)o2)n[nH]1 ZINC000366822981 404853312 /nfs/dbraw/zinc/85/33/12/404853312.db2.gz HBSSDFSOSBMNRS-WBMJQRKESA-N 1 0 303.362 2.097 10 0 DEAERO C[C@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C[C@H]1[NH3+] ZINC000423942031 404938140 /nfs/dbraw/zinc/93/81/40/404938140.db2.gz FGEQBWMHEANUEH-QPUJVOFHSA-N 1 0 303.189 2.178 10 0 DEAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000367122493 404938913 /nfs/dbraw/zinc/93/89/13/404938913.db2.gz BSQZSDALZVPRDQ-MOPGFXCFSA-N 1 0 316.445 2.319 10 0 DEAERO c1csc(-c2noc(CCCN3CCC[C@H]4C[NH2+]C[C@H]43)n2)c1 ZINC000389152505 405037970 /nfs/dbraw/zinc/03/79/70/405037970.db2.gz JVYGWGSPFBAFLA-QWHCGFSZSA-N 1 0 318.446 2.415 10 0 DEAERO COC[C@H](O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000367225822 404973240 /nfs/dbraw/zinc/97/32/40/404973240.db2.gz FOQPBYBFYAZMIK-OAHLLOKOSA-N 1 0 322.380 2.352 10 0 DEAERO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000367472462 405061914 /nfs/dbraw/zinc/06/19/14/405061914.db2.gz MIZBSGOHXGRRJG-INIZCTEOSA-N 1 0 322.416 2.380 10 0 DEAERO CC(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000408025451 405092371 /nfs/dbraw/zinc/09/23/71/405092371.db2.gz BWGAUTNWIQPZOO-GUYCJALGSA-N 1 0 315.417 2.306 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000408183689 405132392 /nfs/dbraw/zinc/13/23/92/405132392.db2.gz SMYXEHVXGIAKJY-SUMWQHHRSA-N 1 0 315.417 2.344 10 0 DEAERO C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C[C@H](C)[N@H+]1C ZINC000408168807 405129013 /nfs/dbraw/zinc/12/90/13/405129013.db2.gz LUXDVPODFDQPNA-TXEJJXNPSA-N 1 0 316.380 2.380 10 0 DEAERO Cn1nnc2cc(C[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)ccc21 ZINC000408073306 405106317 /nfs/dbraw/zinc/10/63/17/405106317.db2.gz PZHKLUHRJLMVHY-WMLDXEAASA-N 1 0 300.406 2.095 10 0 DEAERO CC[NH+]1CCN(CC(C)(C)NCc2ncc(C3CC3)o2)CC1 ZINC000451988770 405120405 /nfs/dbraw/zinc/12/04/05/405120405.db2.gz PPVZTNXGRGSUON-UHFFFAOYSA-N 1 0 306.454 2.058 10 0 DEAERO CC(C)N(C)c1ccc(C[N@@H+]2CCSC[C@@H]2CCO)cn1 ZINC000361578224 405141235 /nfs/dbraw/zinc/14/12/35/405141235.db2.gz NVGHHOQSGNFYPO-HNNXBMFYSA-N 1 0 309.479 2.226 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@](C)(O)CC2)CC1 ZINC000408287889 405162472 /nfs/dbraw/zinc/16/24/72/405162472.db2.gz VHPVQVQEFCRCCT-KRWDZBQOSA-N 1 0 311.470 2.055 10 0 DEAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000408349806 405181437 /nfs/dbraw/zinc/18/14/37/405181437.db2.gz MGWLEERIUKDGBR-FXUDXRNXSA-N 1 0 314.495 2.405 10 0 DEAERO Cc1cnc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(O)c1 ZINC000408368468 405187938 /nfs/dbraw/zinc/18/79/38/405187938.db2.gz IMBBYVVJFMWLII-CQSZACIVSA-N 1 0 303.406 2.186 10 0 DEAERO COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC(C3CCOCC3)CC2)C1 ZINC000367952800 405202463 /nfs/dbraw/zinc/20/24/63/405202463.db2.gz WLBWBTWRTQZOPZ-MRXNPFEDSA-N 1 0 323.433 2.361 10 0 DEAERO Cc1ccncc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000408454009 405209718 /nfs/dbraw/zinc/20/97/18/405209718.db2.gz AMCNNZRRBNQOEE-OAHLLOKOSA-N 1 0 323.462 2.029 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000439043711 405263858 /nfs/dbraw/zinc/26/38/58/405263858.db2.gz XGWUWSVFEUYKOL-UHFFFAOYSA-N 1 0 324.359 2.480 10 0 DEAERO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)C[C@@H]21 ZINC000453036288 405277231 /nfs/dbraw/zinc/27/72/31/405277231.db2.gz NVZBGRJYHRCQSV-AEKOTVAKSA-N 1 0 306.356 2.231 10 0 DEAERO COc1c(F)ccc(F)c1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425060464 405239922 /nfs/dbraw/zinc/23/99/22/405239922.db2.gz VVSMGBLWDSTPNN-GXFFZTMASA-N 1 0 310.344 2.140 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)c1ncsc1-c1ccccc1 ZINC000438678310 405253124 /nfs/dbraw/zinc/25/31/24/405253124.db2.gz HBLQQEXRJOCPSJ-UHFFFAOYSA-N 1 0 324.409 2.469 10 0 DEAERO O=C(C[NH2+]C1(CCO)CCCCC1)NCc1ccccc1F ZINC000440899711 405330235 /nfs/dbraw/zinc/33/02/35/405330235.db2.gz BZLCNXALVLMVNK-UHFFFAOYSA-N 1 0 308.397 2.117 10 0 DEAERO c1ccc(OCCOCCN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420360083 405331296 /nfs/dbraw/zinc/33/12/96/405331296.db2.gz FYZQVWDUIPEQCD-GOSISDBHSA-N 1 0 304.434 2.158 10 0 DEAERO c1cc(-c2noc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)co1 ZINC000420376934 405337809 /nfs/dbraw/zinc/33/78/09/405337809.db2.gz AULWPDUFZZULSL-GXTWGEPZSA-N 1 0 302.378 2.294 10 0 DEAERO CC=CC[C@@H]1NC(=O)N(c2cccc(OCC[NH+](C)C)c2)C1=O ZINC000445912730 405362702 /nfs/dbraw/zinc/36/27/02/405362702.db2.gz KWPBLQJVTRISIH-RGDDUWESSA-N 1 0 317.389 2.018 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H](O)C(C)(C)C)c1Br ZINC000638583319 405556478 /nfs/dbraw/zinc/55/64/78/405556478.db2.gz ZWONYYLUCUUPOH-MRVPVSSYSA-N 1 0 323.256 2.411 10 0 DEAERO COc1cc(F)cc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000449024204 405504181 /nfs/dbraw/zinc/50/41/81/405504181.db2.gz ZABLJQJLWWYGLN-UHFFFAOYSA-N 1 0 316.380 2.337 10 0 DEAERO c1ccc(N2CC[C@@H](C[NH2+]CCOC[C@@H]3CCOC3)C2)cc1 ZINC000638522750 405524397 /nfs/dbraw/zinc/52/43/97/405524397.db2.gz VYAIKVOYBLSXOP-DLBZAZTESA-N 1 0 304.434 2.156 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](C[C@@H](C)c2ccc(F)cc2)CC12COC2 ZINC000449367929 405529705 /nfs/dbraw/zinc/52/97/05/405529705.db2.gz ZYONEIOTPTZQAI-CZUORRHYSA-N 1 0 321.392 2.441 10 0 DEAERO CC[N@H+](CCNC(=O)c1ncsc1Br)C1CC1 ZINC000557590229 405609873 /nfs/dbraw/zinc/60/98/73/405609873.db2.gz GZXFFHWNEULHQN-UHFFFAOYSA-N 1 0 318.240 2.120 10 0 DEAERO COc1nsc(C[NH2+]C[C@]2(C)CCOC2)c1Br ZINC000638610660 405571269 /nfs/dbraw/zinc/57/12/69/405571269.db2.gz DJGIVMCXVDFKIJ-NSHDSACASA-N 1 0 321.240 2.430 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)c2ccc(Br)cc2F)C[NH2+]1 ZINC000638650142 405594441 /nfs/dbraw/zinc/59/44/41/405594441.db2.gz APRRVKCNEINVJH-SCZZXKLOSA-N 1 0 315.186 2.459 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)C[C@@H]1C[NH3+] ZINC000638887205 405740496 /nfs/dbraw/zinc/74/04/96/405740496.db2.gz JZWKIAOFKQUPCW-SCZZXKLOSA-N 1 0 315.186 2.255 10 0 DEAERO CC(=O)c1cc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c(C)nc1C ZINC000636103080 405741826 /nfs/dbraw/zinc/74/18/26/405741826.db2.gz ZDRKJSJCIKFCHG-JKSUJKDBSA-N 1 0 317.433 2.360 10 0 DEAERO Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000583614749 405773944 /nfs/dbraw/zinc/77/39/44/405773944.db2.gz ZNGTUGHHZFNPQL-BRWVUGGUSA-N 1 0 305.418 2.236 10 0 DEAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H]1CCCS(=O)(=O)C1 ZINC000560159886 405775155 /nfs/dbraw/zinc/77/51/55/405775155.db2.gz VVQGBPVISJDQKX-UKRRQHHQSA-N 1 0 311.447 2.080 10 0 DEAERO CCn1nncc1CN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000459390201 405884157 /nfs/dbraw/zinc/88/41/57/405884157.db2.gz IPSOGDPGMMBZGQ-SNVBAGLBSA-N 1 0 308.357 2.305 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000457448319 405844638 /nfs/dbraw/zinc/84/46/38/405844638.db2.gz ZJGBWRZGPFQKTN-UHFFFAOYSA-N 1 0 318.417 2.387 10 0 DEAERO C[C@H]1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530813704 405864807 /nfs/dbraw/zinc/86/48/07/405864807.db2.gz AXRXJCONRZYNBS-LPHOPBHVSA-N 1 0 316.445 2.272 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000531312115 405942135 /nfs/dbraw/zinc/94/21/35/405942135.db2.gz MHHDJNHKDTZETQ-UHFFFAOYSA-N 1 0 300.406 2.415 10 0 DEAERO c1cn([C@H]2CCC[N@@H+](C[C@H]3CCN(c4ccccc4)C3)C2)nn1 ZINC000639277250 406016247 /nfs/dbraw/zinc/01/62/47/406016247.db2.gz KCUFYEQJRGQFJN-AEFFLSMTSA-N 1 0 311.433 2.442 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)[C@@H](C)c1ccc(Cl)cc1 ZINC000459729032 406022997 /nfs/dbraw/zinc/02/29/97/406022997.db2.gz ZWHYIVBBUIKVLY-TYNCELHUSA-N 1 0 308.813 2.074 10 0 DEAERO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCC12CCC2 ZINC000531770650 406003733 /nfs/dbraw/zinc/00/37/33/406003733.db2.gz FBYPNOWUFKNBAA-HOTGVXAUSA-N 1 0 321.465 2.092 10 0 DEAERO c1nc2n(n1)[C@H](C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)CC2 ZINC000639460032 406098309 /nfs/dbraw/zinc/09/83/09/406098309.db2.gz QSAXDXQJHURARD-IRXDYDNUSA-N 1 0 312.417 2.447 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc([C@H]2CCCO2)no1 ZINC000634557672 406170705 /nfs/dbraw/zinc/17/07/05/406170705.db2.gz DJYHJGHQMRNAOX-UONOGXRCSA-N 1 0 302.378 2.053 10 0 DEAERO c1coc(-c2ncc(C[NH2+]CCc3nnc4n3CCC4)s2)c1 ZINC000486931260 406190314 /nfs/dbraw/zinc/19/03/14/406190314.db2.gz BCLHAHZZNMBNAH-UHFFFAOYSA-N 1 0 315.402 2.273 10 0 DEAERO COC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000535083798 406212358 /nfs/dbraw/zinc/21/23/58/406212358.db2.gz ORIDYYCVANBGEK-STQMWFEESA-N 1 0 319.401 2.404 10 0 DEAERO Cc1cnn(CC[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000569388846 406247692 /nfs/dbraw/zinc/24/76/92/406247692.db2.gz ICUJGNWYRLPZSW-UHFFFAOYSA-N 1 0 310.405 2.114 10 0 DEAERO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000519851329 406262643 /nfs/dbraw/zinc/26/26/43/406262643.db2.gz PWDRZMBDJWXEDA-CQFBVYMNSA-N 1 0 308.466 2.473 10 0 DEAERO c1csc(-c2nccc(N3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)n1 ZINC000634812900 406295810 /nfs/dbraw/zinc/29/58/10/406295810.db2.gz UBAAXJMYLZGHQE-VXGBXAGGSA-N 1 0 301.419 2.178 10 0 DEAERO c1csc(-c2nccc(N3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)n1 ZINC000634812897 406295828 /nfs/dbraw/zinc/29/58/28/406295828.db2.gz UBAAXJMYLZGHQE-NEPJUHHUSA-N 1 0 301.419 2.178 10 0 DEAERO c1ncn(-c2ccc(C[NH2+]Cc3ccc4[nH]cnc4c3)cc2)n1 ZINC000537311578 406287321 /nfs/dbraw/zinc/28/73/21/406287321.db2.gz OKBMHQFNNKZEOT-UHFFFAOYSA-N 1 0 304.357 2.433 10 0 DEAERO O=C(c1cncc(Br)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632878564 406304566 /nfs/dbraw/zinc/30/45/66/406304566.db2.gz ULNPAWYPLBSTHV-GXFFZTMASA-N 1 0 324.222 2.058 10 0 DEAERO c1ccc(CCCO[C@@H]2CCN(CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000634994464 406388734 /nfs/dbraw/zinc/38/87/34/406388734.db2.gz DRWWZUIGQXWUET-JLAWEPINSA-N 1 0 300.446 2.462 10 0 DEAERO Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000523126028 406418150 /nfs/dbraw/zinc/41/81/50/406418150.db2.gz WOMGPMLJVTUTEM-KURKYZTESA-N 1 0 319.445 2.341 10 0 DEAERO C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000523451755 406426091 /nfs/dbraw/zinc/42/60/91/406426091.db2.gz QOXDPXAQFVKRRH-FVQBIDKESA-N 1 0 323.408 2.301 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000634957874 406370805 /nfs/dbraw/zinc/37/08/05/406370805.db2.gz ZSDVIYOKEVGLQY-CQSZACIVSA-N 1 0 303.374 2.064 10 0 DEAERO [NH3+][C@H]1CC=C(C(=O)NCc2ccc(Br)s2)C1 ZINC000637930911 406483037 /nfs/dbraw/zinc/48/30/37/406483037.db2.gz BSXLAAUDALCHFW-QMMMGPOBSA-N 1 0 301.209 2.174 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC1(C)CCCCC1 ZINC000637938473 406485750 /nfs/dbraw/zinc/48/57/50/406485750.db2.gz YLXOARRMLZQFBA-INIZCTEOSA-N 1 0 303.450 2.285 10 0 DEAERO CN(Cc1ccccc1)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637867326 406454117 /nfs/dbraw/zinc/45/41/17/406454117.db2.gz GXFZIOZWYIEMMF-GOSISDBHSA-N 1 0 311.429 2.104 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)NCC[N@H+]3CC[C@@H](C)C3)cc2)c1 ZINC000524774616 406458994 /nfs/dbraw/zinc/45/89/94/406458994.db2.gz RHPAMRVKQJXTSB-CQSZACIVSA-N 1 0 312.417 2.252 10 0 DEAERO CN(Cc1ccc(Br)cc1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637880820 406459976 /nfs/dbraw/zinc/45/99/76/406459976.db2.gz CDYMGSZBJLNSPZ-CYBMUJFWSA-N 1 0 309.207 2.455 10 0 DEAERO C[C@](O)(C[NH2+][C@@H]1CCOC2(CCSCC2)C1)C(F)(F)F ZINC000570955566 406461566 /nfs/dbraw/zinc/46/15/66/406461566.db2.gz DALHYHMATHEDMN-MNOVXSKESA-N 1 0 313.385 2.334 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000490355863 406463327 /nfs/dbraw/zinc/46/33/27/406463327.db2.gz WEGPIPHEDXZJJM-JHJVBQTASA-N 1 0 307.442 2.370 10 0 DEAERO CN(Cc1ccsc1)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637891139 406464410 /nfs/dbraw/zinc/46/44/10/406464410.db2.gz ATLKVIPNAXHGJJ-INIZCTEOSA-N 1 0 317.458 2.166 10 0 DEAERO Cc1cccc(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)c1O ZINC000638170537 406603876 /nfs/dbraw/zinc/60/38/76/406603876.db2.gz SBWSTJYOLUSUQT-OAHLLOKOSA-N 1 0 313.401 2.098 10 0 DEAERO Cc1cnc([C@H](C)NC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)o1 ZINC000638280232 406668664 /nfs/dbraw/zinc/66/86/64/406668664.db2.gz BFGNFWGBVJEWQE-KCQAQPDRSA-N 1 0 317.389 2.093 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC12CCCCC2 ZINC000638290288 406675883 /nfs/dbraw/zinc/67/58/83/406675883.db2.gz FDDCNAPECMOYGK-DLBZAZTESA-N 1 0 315.461 2.285 10 0 DEAERO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(CCO)CC1 ZINC000553062742 406733186 /nfs/dbraw/zinc/73/31/86/406733186.db2.gz IFFLZVMOIVXSCQ-AIANPOQGSA-N 1 0 310.482 2.410 10 0 DEAERO COc1nsc(C[NH2+]C2CCOCC2)c1Br ZINC000638389320 406741608 /nfs/dbraw/zinc/74/16/08/406741608.db2.gz FHIVOKPCRCBHTI-UHFFFAOYSA-N 1 0 307.213 2.183 10 0 DEAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000527803141 406756222 /nfs/dbraw/zinc/75/62/22/406756222.db2.gz CMSRDRLBOLMDGN-SREGZZRCSA-N 1 0 302.216 2.084 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)CC3CCCC3)[C@H]2C1 ZINC000554746202 406823544 /nfs/dbraw/zinc/82/35/44/406823544.db2.gz TWZLDKAYSAKJCJ-MHORFTMASA-N 1 0 308.466 2.164 10 0 DEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000642342516 406921349 /nfs/dbraw/zinc/92/13/49/406921349.db2.gz XNORCDMKFKOTIO-QLFBSQMISA-N 1 0 304.500 2.318 10 0 DEAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643617668 407017562 /nfs/dbraw/zinc/01/75/62/407017562.db2.gz LXLLJQIRVFKGMW-RHSMWYFYSA-N 1 0 302.418 2.050 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000128662612 195981704 /nfs/dbraw/zinc/98/17/04/195981704.db2.gz GBKXJMLLIKGZQD-AEAUEXCSSA-N 1 0 315.417 2.281 10 0 DEAERO Cc1nc(=O)n(CCC[C@@H]2CCC[NH2+]2)c(C)c1Br ZINC000128747043 195988046 /nfs/dbraw/zinc/98/80/46/195988046.db2.gz AQUCSBXSGXFVHI-NSHDSACASA-N 1 0 314.227 2.155 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)CC(C)(C)OC ZINC000246398921 287227122 /nfs/dbraw/zinc/22/71/22/287227122.db2.gz RJRRGKNTTHOSSW-KFWWJZLASA-N 1 0 311.470 2.458 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(OC)c(OC)c1 ZINC000247056861 287228976 /nfs/dbraw/zinc/22/89/76/287228976.db2.gz WYTSTMQAFPQKMW-CABCVRRESA-N 1 0 318.417 2.403 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(N)=[NH2+])cc1 ZINC000129065460 196016516 /nfs/dbraw/zinc/01/65/16/196016516.db2.gz XVBQJMRCXAYREX-UHFFFAOYSA-N 1 0 303.387 2.104 10 0 DEAERO C[C@H](CC[NH2+]C1CCN(Cc2ccccc2)CC1)[S@@](C)=O ZINC000129457002 196050111 /nfs/dbraw/zinc/05/01/11/196050111.db2.gz OUSXSOBKBGKLII-VFNWGFHPSA-N 1 0 308.491 2.398 10 0 DEAERO CCNc1ncc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)s1 ZINC000129650527 196064971 /nfs/dbraw/zinc/06/49/71/196064971.db2.gz FTYRLEPBVJZVRY-VXGBXAGGSA-N 1 0 308.451 2.274 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)[C@@H](N)c1cccs1)c1ccccc1 ZINC000130565024 196092065 /nfs/dbraw/zinc/09/20/65/196092065.db2.gz UJEZUSXTBUCONO-ZFWWWQNUSA-N 1 0 303.431 2.167 10 0 DEAERO CS[C@H](C)CC[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000130613644 196095268 /nfs/dbraw/zinc/09/52/68/196095268.db2.gz PSUHGEWNKQILBQ-LLVKDONJSA-N 1 0 310.419 2.128 10 0 DEAERO COc1ccc(C(N)=S)c(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000130666546 196099612 /nfs/dbraw/zinc/09/96/12/196099612.db2.gz MHPWBDCYUZICDV-NWDGAFQWSA-N 1 0 305.447 2.002 10 0 DEAERO CC(C)C[NH2+]Cc1cn(C[C@H](O)CO)c2cc(Cl)ccc12 ZINC000130722174 196104093 /nfs/dbraw/zinc/10/40/93/196104093.db2.gz HGGOUVRMCHKLJB-AWEZNQCLSA-N 1 0 310.825 2.394 10 0 DEAERO C[C@@H](CN1C(=O)C2(CC2)N[C@@H]1c1ccsc1)[NH+]1CCCC1 ZINC000130756034 196107081 /nfs/dbraw/zinc/10/70/81/196107081.db2.gz BDWBZDYJDFLQKI-JSGCOSHPSA-N 1 0 305.447 2.195 10 0 DEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)NCC[C@@H](C)SC)c1 ZINC000130940489 196124648 /nfs/dbraw/zinc/12/46/48/196124648.db2.gz YOIZZYMGZMGCDB-VXGBXAGGSA-N 1 0 316.492 2.387 10 0 DEAERO CCc1nsc(S[C@H]2CC[C@](CO)([NH2+]C(C)C)C2)n1 ZINC000131005839 196132176 /nfs/dbraw/zinc/13/21/76/196132176.db2.gz UWAXGUQIXNJVJM-GWCFXTLKSA-N 1 0 301.481 2.474 10 0 DEAERO COCc1csc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000131133939 196142439 /nfs/dbraw/zinc/14/24/39/196142439.db2.gz YFLIZEUIQQNVJF-JTQLQIEISA-N 1 0 314.455 2.387 10 0 DEAERO Cc1cc(Cl)c(C)c(S(=O)(=O)NC/C=C/C[NH3+])c1Cl ZINC000131197682 196148606 /nfs/dbraw/zinc/14/86/06/196148606.db2.gz QTIOABXRPKNZME-ONEGZZNKSA-N 1 0 323.245 2.403 10 0 DEAERO C[NH2+]CCCN(C)C(=O)c1sc2cc(OC)ccc2c1N ZINC000131267236 196155643 /nfs/dbraw/zinc/15/56/43/196155643.db2.gz UOYZVMNEYPFECZ-UHFFFAOYSA-N 1 0 307.419 2.174 10 0 DEAERO CC[NH2+][C@H](CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000131265830 196155715 /nfs/dbraw/zinc/15/57/15/196155715.db2.gz CULTUUVQLVZFFE-GOEBONIOSA-N 1 0 311.447 2.041 10 0 DEAERO CCN1C(=[NH2+])NC[C@]1(C)c1ccc(Br)cc1F ZINC000131357086 196162062 /nfs/dbraw/zinc/16/20/62/196162062.db2.gz HJJPOMRSZUZCDB-GFCCVEGCSA-N 1 0 300.175 2.454 10 0 DEAERO CCC[NH2+]C[C@@H]1COCCN1c1ccc(Br)cn1 ZINC000131432912 196167456 /nfs/dbraw/zinc/16/74/56/196167456.db2.gz APPXRGAUMCNSLC-GFCCVEGCSA-N 1 0 314.227 2.049 10 0 DEAERO CC[C@H](C)[C@@](C)(O)c1c(Br)cnn1CC[NH+](C)C ZINC000131446773 196170151 /nfs/dbraw/zinc/17/01/51/196170151.db2.gz RELCFGLPXIVMTB-GXFFZTMASA-N 1 0 318.259 2.461 10 0 DEAERO CC(C)n1ncc(Br)c1C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000131523758 196176951 /nfs/dbraw/zinc/17/69/51/196176951.db2.gz RSPHGNUZSMZGRS-HWYHXSKPSA-N 1 0 314.227 2.329 10 0 DEAERO [NH3+]C[C@H]1CCCN1C(=O)c1c(F)cc(Br)cc1F ZINC000131544987 196178435 /nfs/dbraw/zinc/17/84/35/196178435.db2.gz VKGMLYVYRQAFDB-MRVPVSSYSA-N 1 0 319.149 2.291 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)Nc1cccc2ccncc21 ZINC000131553403 196179333 /nfs/dbraw/zinc/17/93/33/196179333.db2.gz SUHUFXBNZYAIBW-UHFFFAOYSA-N 1 0 307.419 2.365 10 0 DEAERO [NH3+][C@]1(C(=O)Nc2ccc(Cl)cc2Br)CCOC1 ZINC000131562363 196180302 /nfs/dbraw/zinc/18/03/02/196180302.db2.gz JIPIIPAUBVTNKP-LLVKDONJSA-N 1 0 319.586 2.159 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC000131750064 196196120 /nfs/dbraw/zinc/19/61/20/196196120.db2.gz KFKJHQZXCWQWGE-KGLIPLIRSA-N 1 0 310.463 2.115 10 0 DEAERO COC[C@@H]([NH3+])C(=O)Nc1cc(Cl)c(C)cc1Br ZINC000131801902 196200583 /nfs/dbraw/zinc/20/05/83/196200583.db2.gz XWODNRHLPJLNSF-SECBINFHSA-N 1 0 321.602 2.323 10 0 DEAERO [NH3+]Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000132209260 196235531 /nfs/dbraw/zinc/23/55/31/196235531.db2.gz IFGQPHAUVIOSNP-RYUDHWBXSA-N 1 0 314.838 2.219 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(C(=O)NC(C)C)cc1 ZINC000132414196 196254189 /nfs/dbraw/zinc/25/41/89/196254189.db2.gz AOULJUWZFFXVTI-AWEZNQCLSA-N 1 0 319.449 2.285 10 0 DEAERO C[C@H]([NH2+]CCNC(=O)N(C)C)c1ccccc1Br ZINC000132213378 196236274 /nfs/dbraw/zinc/23/62/74/196236274.db2.gz DRGCEYJPYXFAFQ-JTQLQIEISA-N 1 0 314.227 2.371 10 0 DEAERO CCCNc1ncc(Br)c(NC[C@@H](C)[NH+](C)C)n1 ZINC000132225243 196237206 /nfs/dbraw/zinc/23/72/06/196237206.db2.gz GRPYMGZHUOJTHB-SECBINFHSA-N 1 0 316.247 2.423 10 0 DEAERO CCOC(C)(C)[C@H]([NH3+])Cc1c(Br)c(CC)nn1C ZINC000132297442 196243100 /nfs/dbraw/zinc/24/31/00/196243100.db2.gz ROWQZHZIBDERPL-LLVKDONJSA-N 1 0 318.259 2.430 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(OCC(=O)NCCCOC)c(Cl)c1 ZINC000132301989 196243510 /nfs/dbraw/zinc/24/35/10/196243510.db2.gz GAVXCUMGPBEKBX-NSHDSACASA-N 1 0 314.813 2.152 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CSCCS1 ZINC000132578966 196267735 /nfs/dbraw/zinc/26/77/35/196267735.db2.gz LFSOKGOTPKXAIM-HUUCEWRRSA-N 1 0 324.515 2.124 10 0 DEAERO CCCNc1nc(Cl)nc(N(CC[NH+](C)C)CC(C)C)n1 ZINC000132583676 196268342 /nfs/dbraw/zinc/26/83/42/196268342.db2.gz NKYQTMBPNBKSCB-UHFFFAOYSA-N 1 0 314.865 2.371 10 0 DEAERO COCc1nc(N(Cc2cccs2)C(C)C)cc(NN)[nH+]1 ZINC000132794281 196283852 /nfs/dbraw/zinc/28/38/52/196283852.db2.gz BFGCPZLZNFFXOL-UHFFFAOYSA-N 1 0 307.423 2.385 10 0 DEAERO CCOc1cncc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000132821856 196287354 /nfs/dbraw/zinc/28/73/54/196287354.db2.gz CKWTYUTVOYDIKU-LSDHHAIUSA-N 1 0 320.437 2.055 10 0 DEAERO CCOCc1nc(N[C@@H](CC)c2nccs2)cc(NN)[nH+]1 ZINC000132983241 196302392 /nfs/dbraw/zinc/30/23/92/196302392.db2.gz YAJVEASABFYESX-VIFPVBQESA-N 1 0 308.411 2.318 10 0 DEAERO O[C@H](Cc1ccc(F)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000133056262 196308036 /nfs/dbraw/zinc/30/80/36/196308036.db2.gz WGQVXXCJKHYGLU-GXFFZTMASA-N 1 0 302.187 2.491 10 0 DEAERO CC[C@H](C)c1nc(N(CCOC)CCOC)sc1C[NH2+]C ZINC000133134462 196314195 /nfs/dbraw/zinc/31/41/95/196314195.db2.gz WPXQATRXDHJXKT-LBPRGKRZSA-N 1 0 315.483 2.475 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000133165882 196316985 /nfs/dbraw/zinc/31/69/85/196316985.db2.gz XBGCQUJRTHAOTH-HNNXBMFYSA-N 1 0 309.797 2.170 10 0 DEAERO C[C@@H]1COC[C@@H](C)[NH+]1C[C@H](O)COCc1ccccc1Cl ZINC000133186151 196318807 /nfs/dbraw/zinc/31/88/07/196318807.db2.gz DJWCBIURYJHKDG-NFAWXSAZSA-N 1 0 313.825 2.327 10 0 DEAERO C[C@H]([NH3+])[C@H]1CN(Cc2csc(Br)c2)CCO1 ZINC000133323458 196329472 /nfs/dbraw/zinc/32/94/72/196329472.db2.gz RRYQCXUGTGMFCK-WCBMZHEXSA-N 1 0 305.241 2.059 10 0 DEAERO CCC([NH3+])(CC)CNc1ccccc1S(=O)(=O)NC(C)C ZINC000133504843 196330676 /nfs/dbraw/zinc/33/06/76/196330676.db2.gz RGKKBNIADSDCPW-UHFFFAOYSA-N 1 0 313.467 2.303 10 0 DEAERO CC[NH2+][C@@H](c1c(Br)cnn1C)[C@H]1CCCCO1 ZINC000133803145 196336714 /nfs/dbraw/zinc/33/67/14/196336714.db2.gz ODKNQRKABHQCGX-GHMZBOCLSA-N 1 0 302.216 2.402 10 0 DEAERO [NH3+][C@H](c1nn2c(nnc2[C@@H]2CCOC2)s1)C1CCCCC1 ZINC000133810803 196337184 /nfs/dbraw/zinc/33/71/84/196337184.db2.gz KQBKROJBNHGTBK-MNOVXSKESA-N 1 0 307.423 2.270 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1C(=O)C1CCC1 ZINC000133901474 196344201 /nfs/dbraw/zinc/34/42/01/196344201.db2.gz OPSHSSFENCSJLU-UHFFFAOYSA-N 1 0 300.200 2.190 10 0 DEAERO C[NH+](C)CCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000133899598 196344453 /nfs/dbraw/zinc/34/44/53/196344453.db2.gz HHDBETOQCWVUBT-LBPRGKRZSA-N 1 0 303.328 2.021 10 0 DEAERO CC[NH+](CC)Cc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000133947262 196347804 /nfs/dbraw/zinc/34/78/04/196347804.db2.gz BMDKRPMQKJQBTM-UHFFFAOYSA-N 1 0 310.341 2.195 10 0 DEAERO [NH3+][C@@H]1CN(c2ccc(Br)cc2C(F)(F)F)C1=O ZINC000133966635 196350222 /nfs/dbraw/zinc/35/02/22/196350222.db2.gz ALGCKFFKLYNNDM-SSDOTTSWSA-N 1 0 309.085 2.142 10 0 DEAERO [NH3+][C@H]1CN(c2ccc(Br)cc2C(F)(F)F)C1=O ZINC000133966428 196350490 /nfs/dbraw/zinc/35/04/90/196350490.db2.gz ALGCKFFKLYNNDM-ZETCQYMHSA-N 1 0 309.085 2.142 10 0 DEAERO CC[S@@](=O)CCN1C[C@H](c2ccccc2)[NH2+]C[C@@H]1C(C)C ZINC000134235799 196373126 /nfs/dbraw/zinc/37/31/26/196373126.db2.gz ZOQGGOATBGVOGZ-LZJOCLMNSA-N 1 0 308.491 2.426 10 0 DEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)C[C@@H](C)OC ZINC000134459906 196393207 /nfs/dbraw/zinc/39/32/07/196393207.db2.gz CWXKAIMMKKIOOQ-SCZZXKLOSA-N 1 0 304.232 2.047 10 0 DEAERO CCC(CO)(CO)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000134466341 196393799 /nfs/dbraw/zinc/39/37/99/196393799.db2.gz JOSLCGIPLPJDBR-MRVPVSSYSA-N 1 0 308.241 2.295 10 0 DEAERO Brc1cnc2c(c1)nccc2OC[C@H]1CC[NH2+]C1 ZINC000135563806 196488029 /nfs/dbraw/zinc/48/80/29/196488029.db2.gz RRCFOJGWFBJCEL-VIFPVBQESA-N 1 0 308.179 2.381 10 0 DEAERO C[C@@H](CNC(=O)c1sc2cnccc2c1N)[NH+]1CCCC1 ZINC000135954354 196511138 /nfs/dbraw/zinc/51/11/38/196511138.db2.gz QSLAODQGTUWYGW-JTQLQIEISA-N 1 0 304.419 2.093 10 0 DEAERO COC(=O)c1c(NC(=O)C[C@@H]([NH3+])C(C)C)sc2c1CCC2 ZINC000136438005 196537493 /nfs/dbraw/zinc/53/74/93/196537493.db2.gz VBRLFOAWSJGOEU-SNVBAGLBSA-N 1 0 310.419 2.335 10 0 DEAERO C[C@@H]([NH2+]CCO[C@@H]1CCCCO1)c1ccc(-n2ccnn2)cc1 ZINC000193092379 225152294 /nfs/dbraw/zinc/15/22/94/225152294.db2.gz JGASNIBBUVLYOB-RHSMWYFYSA-N 1 0 316.405 2.461 10 0 DEAERO CC[C@H](C(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1)[NH+](C)C ZINC000133822770 287477347 /nfs/dbraw/zinc/47/73/47/287477347.db2.gz PPAMIYXMMYHEID-SUMWQHHRSA-N 1 0 320.433 2.360 10 0 DEAERO c1c(C2CCCC2)nc2sc(N3C[C@H]4C[NH2+]C[C@H]4C3)nn12 ZINC000420245537 229617899 /nfs/dbraw/zinc/61/78/99/229617899.db2.gz QPTWEOPGJDTSNW-TXEJJXNPSA-N 1 0 303.435 2.104 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2cc(N)n[nH]2)CC1 ZINC000616628383 422515711 /nfs/dbraw/zinc/51/57/11/422515711.db2.gz QTGHZLONXFIWCB-GFCCVEGCSA-N 1 0 323.441 2.086 10 0 DEAERO Cc1nnc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nc1C ZINC000359523833 424830509 /nfs/dbraw/zinc/83/05/09/424830509.db2.gz IMOSXZIZUHJEPC-QGZVFWFLSA-N 1 0 311.433 2.955 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CCOC1)COc1c(Cl)cccc1Cl ZINC000038094393 424808715 /nfs/dbraw/zinc/80/87/15/424808715.db2.gz BJEISWPMAFQUNR-GHMZBOCLSA-N 1 0 320.216 2.359 10 0 DEAERO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876257 424849598 /nfs/dbraw/zinc/84/95/98/424849598.db2.gz GHGLROMVLHOOQK-OAHLLOKOSA-N 1 0 320.481 2.225 10 0 DEAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000192854396 424866404 /nfs/dbraw/zinc/86/64/04/424866404.db2.gz FOCZCFYJDUGKTQ-ZDUSSCGKSA-N 1 0 303.406 2.414 10 0 DEAERO O=C(COC(c1ccccc1)c1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000126011136 424856012 /nfs/dbraw/zinc/85/60/12/424856012.db2.gz LDAHOWZKCRFACH-QGZVFWFLSA-N 1 0 310.397 2.271 10 0 DEAERO c1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc(N2CCSCC2)n1 ZINC000639386463 424857754 /nfs/dbraw/zinc/85/77/54/424857754.db2.gz IVMHOZRRDYLZFP-JKSUJKDBSA-N 1 0 319.474 2.292 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2nnc(C3CCCC3)o2)C1 ZINC000155674876 424862358 /nfs/dbraw/zinc/86/23/58/424862358.db2.gz YFSZVXFDZKZHPG-AWEZNQCLSA-N 1 0 320.437 2.260 10 0 DEAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000381928606 424909759 /nfs/dbraw/zinc/90/97/59/424909759.db2.gz QWPWZGUXUFCYTN-GXTWGEPZSA-N 1 0 304.356 2.410 10 0 DEAERO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1nscc1Br ZINC000404767582 424928959 /nfs/dbraw/zinc/92/89/59/424928959.db2.gz HKYCUQYELRGYLJ-VXNVDRBHSA-N 1 0 318.240 2.153 10 0 DEAERO C[C@]1(CNC(=O)c2nscc2Br)CCC[NH2+]C1 ZINC000404779634 424929087 /nfs/dbraw/zinc/92/90/87/424929087.db2.gz MSTRNQHYLDNHCX-NSHDSACASA-N 1 0 318.240 2.025 10 0 DEAERO C[C@@H]([NH3+])C1CCN(C(=O)c2nscc2Br)CC1 ZINC000404780881 424929239 /nfs/dbraw/zinc/92/92/39/424929239.db2.gz NDMUXGGAOMNJAX-SSDOTTSWSA-N 1 0 318.240 2.105 10 0 DEAERO C[C@@H](CNC(=O)c1nscc1Br)[NH+]1CCCC1 ZINC000404888754 424929550 /nfs/dbraw/zinc/92/95/50/424929550.db2.gz HGGUUJWVRULUIG-QMMMGPOBSA-N 1 0 318.240 2.120 10 0 DEAERO Fc1cccc2c(NCC3CC[NH+](C4CC4)CC3)ncnc12 ZINC000444868800 425049188 /nfs/dbraw/zinc/04/91/88/425049188.db2.gz HNBLBMGTOCBTPW-UHFFFAOYSA-N 1 0 300.381 3.055 10 0 DEAERO CCc1nc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cs1 ZINC000085403432 267387949 /nfs/dbraw/zinc/38/79/49/267387949.db2.gz ZMQAXXMTCJKVHW-WCQYABFASA-N 1 0 310.467 2.187 10 0 DEAERO CCc1cnc(CCNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000085409806 267388107 /nfs/dbraw/zinc/38/81/07/267388107.db2.gz MGOYTNFZTQGSOL-JSGCOSHPSA-N 1 0 324.494 2.230 10 0 DEAERO C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000661434059 425408334 /nfs/dbraw/zinc/40/83/34/425408334.db2.gz NNEKSZJYVWYQKQ-KBAYOESNSA-N 1 0 307.434 2.047 10 0 DEAERO CN1C[C@H](C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1=O ZINC000658237655 425459647 /nfs/dbraw/zinc/45/96/47/425459647.db2.gz BXOCKYHZHOXUBH-ULQDDVLXSA-N 1 0 316.445 2.438 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc3c2OCCO3)CC[N@@H+]1C ZINC000175415627 267518687 /nfs/dbraw/zinc/51/86/87/267518687.db2.gz APRFKTKOJLHWPL-CHWSQXEVSA-N 1 0 319.405 2.404 10 0 DEAERO CCn1cc([C@@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2ccnn2C)cn1 ZINC000658272790 425465803 /nfs/dbraw/zinc/46/58/03/425465803.db2.gz QNDXNDUJIAXUBY-JKIFEVAISA-N 1 0 317.437 2.455 10 0 DEAERO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000178862671 267588274 /nfs/dbraw/zinc/58/82/74/267588274.db2.gz PBPSRHOFWXCKJH-OLZOCXBDSA-N 1 0 318.458 2.007 10 0 DEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccc(Br)cc1F ZINC000659313246 425574391 /nfs/dbraw/zinc/57/43/91/425574391.db2.gz LWGJONFBZPYXSZ-PRHODGIISA-N 1 0 315.186 2.079 10 0 DEAERO COC(=O)CC1(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC000189322049 267690523 /nfs/dbraw/zinc/69/05/23/267690523.db2.gz JZIGBIXYTMIYRR-LSDHHAIUSA-N 1 0 324.465 2.441 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC1(CC(=O)OC)CCCC1 ZINC000189378103 267693075 /nfs/dbraw/zinc/69/30/75/267693075.db2.gz DYBYWXGBPUCVRR-OAHLLOKOSA-N 1 0 324.465 2.443 10 0 DEAERO O=C(NC[C@H]1CCOc2ccccc21)N1CCC2(CC[NH2+]2)CC1 ZINC000333254950 268913399 /nfs/dbraw/zinc/91/33/99/268913399.db2.gz HRWBJZZREZCFHM-CQSZACIVSA-N 1 0 315.417 2.090 10 0 DEAERO O=C(Nc1ccc(C2CCC2)cn1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333309114 268923849 /nfs/dbraw/zinc/92/38/49/268923849.db2.gz LIKHLVZEJMVZGW-CABCVRRESA-N 1 0 300.406 2.422 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000333629945 268966488 /nfs/dbraw/zinc/96/64/88/268966488.db2.gz GKXHBVPWBPWVSM-SOUVJXGZSA-N 1 0 309.454 2.118 10 0 DEAERO C[C@@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1cccnc1 ZINC000333905446 269003525 /nfs/dbraw/zinc/00/35/25/269003525.db2.gz JSSAIZGLMVDIKW-CQSZACIVSA-N 1 0 302.422 2.318 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCO[C@H](c3cccs3)C2)C1 ZINC000334128271 269023056 /nfs/dbraw/zinc/02/30/56/269023056.db2.gz REJMFKVSSQEWPI-IHRRRGAJSA-N 1 0 323.462 2.362 10 0 DEAERO C[C@H]1CC[NH2+][C@@H](C(=O)NCCCCOCc2ccccc2)C1 ZINC000390703812 269097771 /nfs/dbraw/zinc/09/77/71/269097771.db2.gz AUQYBAKASZAXLN-DOTOQJQBSA-N 1 0 304.434 2.488 10 0 DEAERO COc1nccc(C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)n1 ZINC000397331323 269105757 /nfs/dbraw/zinc/10/57/57/269105757.db2.gz ZLDTVXSXRJMORI-UHFFFAOYSA-N 1 0 324.425 2.268 10 0 DEAERO CCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000397317978 269105891 /nfs/dbraw/zinc/10/58/91/269105891.db2.gz LWWPUGDXSAOOHO-TUAOUCFPSA-N 1 0 316.492 2.304 10 0 DEAERO Cn1cncc1CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000401720527 269112624 /nfs/dbraw/zinc/11/26/24/269112624.db2.gz ZVXBAYKWDIWJGH-CQSZACIVSA-N 1 0 322.453 2.342 10 0 DEAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000261867701 273579987 /nfs/dbraw/zinc/57/99/87/273579987.db2.gz KXOZBWSAZIGPEE-HNNXBMFYSA-N 1 0 319.380 2.427 10 0 DEAERO COc1cccc2c1N(CC[N@H+]1C[C@H]3CC[C@@H](C1)O3)CCC2 ZINC000373218335 274154401 /nfs/dbraw/zinc/15/44/01/274154401.db2.gz TYIUGVSHMDSGGI-IYBDPMFKSA-N 1 0 302.418 2.311 10 0 DEAERO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+](C)C[C@H]1CCCO1 ZINC000245383223 274196252 /nfs/dbraw/zinc/19/62/52/274196252.db2.gz NXAUQZUIVAVQJD-GXTWGEPZSA-N 1 0 308.447 2.132 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000048905421 274285731 /nfs/dbraw/zinc/28/57/31/274285731.db2.gz QZBRAJZIRNDACP-GFCCVEGCSA-N 1 0 316.854 2.493 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CCC(=O)N2CCc3ccccc32)C1 ZINC000187939617 274319085 /nfs/dbraw/zinc/31/90/85/274319085.db2.gz XKEYKCKUWDTWFB-BEFAXECRSA-N 1 0 316.445 2.449 10 0 DEAERO C[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000190236862 274354005 /nfs/dbraw/zinc/35/40/05/274354005.db2.gz OCPAHWPZKHPBJU-LLVKDONJSA-N 1 0 320.330 2.343 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)c1 ZINC000105881656 274830325 /nfs/dbraw/zinc/83/03/25/274830325.db2.gz GKMKABGSKTZWOO-CYBMUJFWSA-N 1 0 304.369 2.256 10 0 DEAERO c1ccc2[nH]c(N3CCC[N@@H+](C4CCOCC4)CC3)nc2c1 ZINC000301880497 275069018 /nfs/dbraw/zinc/06/90/18/275069018.db2.gz LSDNZWJUGAUUPV-UHFFFAOYSA-N 1 0 300.406 2.254 10 0 DEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000275322234 275716354 /nfs/dbraw/zinc/71/63/54/275716354.db2.gz PDSWPAJXBIVFLT-BRWVUGGUSA-N 1 0 304.434 2.467 10 0 DEAERO C(c1nnc(C2CC2)n1C1CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420348028 275728715 /nfs/dbraw/zinc/72/87/15/275728715.db2.gz JEDCXTCUAMYKEG-QGZVFWFLSA-N 1 0 301.438 2.066 10 0 DEAERO CCCCn1c(=O)c2sccc2nc1N1CCC([NH3+])CC1 ZINC000057346595 275986556 /nfs/dbraw/zinc/98/65/56/275986556.db2.gz RPEMHJOBHSYPRR-UHFFFAOYSA-N 1 0 306.435 2.186 10 0 DEAERO CC(C)c1nnc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1C ZINC000246471945 276074206 /nfs/dbraw/zinc/07/42/06/276074206.db2.gz FZAJQYZKQOJHEN-HOCLYGCPSA-N 1 0 317.481 2.387 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cnc(-c2ncccn2)s1 ZINC000130097563 276112822 /nfs/dbraw/zinc/11/28/22/276112822.db2.gz LLMCBZHNCZSJEL-NSHDSACASA-N 1 0 319.434 2.060 10 0 DEAERO CCCCN1C(=O)CC[C@@H]2C[N@H+](C3CCN(C)CC3)CC[C@@H]21 ZINC000014966135 276234264 /nfs/dbraw/zinc/23/42/64/276234264.db2.gz ASMBCAOHGBHCHB-WBVHZDCISA-N 1 0 307.482 2.194 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000247297888 277079187 /nfs/dbraw/zinc/07/91/87/277079187.db2.gz HVRNDMZGZOFSRI-LRDDRELGSA-N 1 0 316.405 2.345 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cnn3c2CCCC3)[C@H]1c1ccccc1 ZINC000248059544 277137875 /nfs/dbraw/zinc/13/78/75/277137875.db2.gz OWLXQVILWPBOPZ-SJLPKXTDSA-N 1 0 324.428 2.395 10 0 DEAERO CC(C)(C)CCS(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000113280013 277142488 /nfs/dbraw/zinc/14/24/88/277142488.db2.gz AVKVZLRLHNIGST-UHFFFAOYSA-N 1 0 302.484 2.313 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)C2CCC(O)CC2)[C@H]1c1ccccc1 ZINC000248747213 277164980 /nfs/dbraw/zinc/16/49/80/277164980.db2.gz NOZBTFZSKBFZNQ-SJJHQCBESA-N 1 0 302.418 2.099 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccn2)[C@@H]1c1ccccc1 ZINC000179274554 277167267 /nfs/dbraw/zinc/16/72/67/277167267.db2.gz QIELEZYDGIIWDJ-IRXDYDNUSA-N 1 0 310.401 2.326 10 0 DEAERO COC(=O)[C@@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000358664459 277341670 /nfs/dbraw/zinc/34/16/70/277341670.db2.gz UBOPBHUCZPSACU-MSOLQXFVSA-N 1 0 316.445 2.438 10 0 DEAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1nnc2ccccc2n1 ZINC000329601122 277574226 /nfs/dbraw/zinc/57/42/26/277574226.db2.gz XLDOGGCHKVLFAF-ZDUSSCGKSA-N 1 0 313.405 2.019 10 0 DEAERO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000471902391 278075867 /nfs/dbraw/zinc/07/58/67/278075867.db2.gz YUHDLSACIYXIJP-SCVCMEIPSA-N 1 0 305.344 2.205 10 0 DEAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1[C@H]3CCO[C@H]3C13CCC3)CC2 ZINC000194096054 278078357 /nfs/dbraw/zinc/07/83/57/278078357.db2.gz JKZXQRNAXUWROC-LUYZLQTOSA-N 1 0 316.449 2.264 10 0 DEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCC3)CC2 ZINC000194145003 278109723 /nfs/dbraw/zinc/10/97/23/278109723.db2.gz MWQCDLLUUHTOAQ-SJXGUFTOSA-N 1 0 316.449 2.264 10 0 DEAERO CSC1(CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000194915121 278124998 /nfs/dbraw/zinc/12/49/98/278124998.db2.gz LDWLRAQVOZINKS-HNNXBMFYSA-N 1 0 321.490 2.354 10 0 DEAERO C[C@H]([NH3+])CC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261838323 278224988 /nfs/dbraw/zinc/22/49/88/278224988.db2.gz KNRFFCXYBXCHDW-REAQECSSSA-N 1 0 300.761 2.163 10 0 DEAERO CC1(C)C[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)C(C)(C)O1 ZINC000367247515 278388986 /nfs/dbraw/zinc/38/89/86/278388986.db2.gz WEZORAVWJOLEFB-ILXRZTDVSA-N 1 0 311.466 2.490 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000300218465 278419578 /nfs/dbraw/zinc/41/95/78/278419578.db2.gz UAUVLVRXHLUHHT-PEZGRIKUSA-N 1 0 322.449 2.255 10 0 DEAERO CC(C)(C)[C@H]([NH2+]C[C@H](O)CN1CCOCC1)c1ccc(F)cc1 ZINC000157829209 278534048 /nfs/dbraw/zinc/53/40/48/278534048.db2.gz PFEQOABGKSXIAS-DLBZAZTESA-N 1 0 324.440 2.196 10 0 DEAERO CCC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)[NH+](C)C ZINC000178657097 278922580 /nfs/dbraw/zinc/92/25/80/278922580.db2.gz XIZUAXIDAKXSIX-BLLLJJGKSA-N 1 0 317.433 2.479 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000249906196 279040428 /nfs/dbraw/zinc/04/04/28/279040428.db2.gz HDZNEQFKFRAUIL-APHBMKBZSA-N 1 0 308.397 2.360 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)CC(=O)N1C ZINC000328871984 279195510 /nfs/dbraw/zinc/19/55/10/279195510.db2.gz YLGFLPCLNMCGEX-IWCJZZDYSA-N 1 0 304.438 2.087 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1cc(F)ccc1F ZINC000175343599 279301160 /nfs/dbraw/zinc/30/11/60/279301160.db2.gz GEXOTZNUIYDQGI-CYBMUJFWSA-N 1 0 311.376 2.319 10 0 DEAERO O=C(CC[NH2+][C@H]1CCCC[C@H]1n1cccn1)NC1CCCC1 ZINC000128026222 279752489 /nfs/dbraw/zinc/75/24/89/279752489.db2.gz WKXCUNKXSONXNK-JKSUJKDBSA-N 1 0 304.438 2.405 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C12CCC2 ZINC000262446616 279859389 /nfs/dbraw/zinc/85/93/89/279859389.db2.gz DCLWYKWUJCIXMZ-OLMNGRFOSA-N 1 0 306.450 2.371 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)nc1 ZINC000247016513 288311858 /nfs/dbraw/zinc/31/18/58/288311858.db2.gz FYKHYLISRUAHDU-PWSUYJOCSA-N 1 0 313.323 2.409 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192159684 281294213 /nfs/dbraw/zinc/29/42/13/281294213.db2.gz RCCGEVROHORUDB-BMFZPTHFSA-N 1 0 310.825 2.362 10 0 DEAERO CC(C)C1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000073676636 281545335 /nfs/dbraw/zinc/54/53/35/281545335.db2.gz GLGMZPKCIGYWHH-UHFFFAOYSA-N 1 0 311.470 2.176 10 0 DEAERO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H](C)CO)CC1 ZINC000080148853 281595845 /nfs/dbraw/zinc/59/58/45/281595845.db2.gz CADNJKSUJMYGHA-LSDHHAIUSA-N 1 0 313.486 2.061 10 0 DEAERO CCCn1nccc1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000118641061 281708819 /nfs/dbraw/zinc/70/88/19/281708819.db2.gz ADOVFUCXXWBVHV-UHFFFAOYSA-N 1 0 320.437 2.267 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCCOc3ccccc32)C1 ZINC000170836036 289312587 /nfs/dbraw/zinc/31/25/87/289312587.db2.gz MIRNVLIHXIOIRF-UKRRQHHQSA-N 1 0 303.406 2.246 10 0 DEAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)NC(=O)Nc1ccccc1F ZINC000183142792 289992305 /nfs/dbraw/zinc/99/23/05/289992305.db2.gz RUIPODJCICPMRU-MJVIPROJSA-N 1 0 323.368 2.019 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N1CCCCCC1 ZINC000328844987 290041619 /nfs/dbraw/zinc/04/16/19/290041619.db2.gz RJVKKTPDCSNLNX-NOLJZWGESA-N 1 0 307.438 2.265 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000263274270 290061829 /nfs/dbraw/zinc/06/18/29/290061829.db2.gz SQBHEBUKYLWXPI-OUAUKWLOSA-N 1 0 318.343 2.482 10 0 DEAERO [NH3+]CC[C@@H]1CCCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000070073972 295237756 /nfs/dbraw/zinc/23/77/56/295237756.db2.gz VCSKRVGLIDBZTI-NSHDSACASA-N 1 0 318.389 2.248 10 0 DEAERO O=C(CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)NC1CCCC1 ZINC000128026829 295476086 /nfs/dbraw/zinc/47/60/86/295476086.db2.gz WKXCUNKXSONXNK-CVEARBPZSA-N 1 0 304.438 2.405 10 0 DEAERO Cc1cc(C)c(C)c(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1C ZINC000262778489 301180121 /nfs/dbraw/zinc/18/01/21/301180121.db2.gz OHIUGYROFJYSBE-WFASDCNBSA-N 1 0 310.463 2.197 10 0 DEAERO Cc1cccnc1C1(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)CC1 ZINC000368292171 302234887 /nfs/dbraw/zinc/23/48/87/302234887.db2.gz UOGGOSYNXVGSGT-CQSZACIVSA-N 1 0 322.474 2.225 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2CCC[C@@H]2C)CC(=O)N1C ZINC000330199457 302780979 /nfs/dbraw/zinc/78/09/79/302780979.db2.gz VMGVDYZUPJCELE-IHQJAULKSA-N 1 0 304.438 2.087 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)C1 ZINC000170856256 325716055 /nfs/dbraw/zinc/71/60/55/325716055.db2.gz VFQJGQYLPHSPJA-RDJZCZTQSA-N 1 0 318.417 2.021 10 0 DEAERO Brc1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC000567871537 325872497 /nfs/dbraw/zinc/87/24/97/325872497.db2.gz PFRSHDXWAMMMQJ-CQSZACIVSA-N 1 0 310.239 2.420 10 0 DEAERO CC(=O)c1cccc(NC(=O)CN2CC3CCC2(C[NH3+])CC3)c1 ZINC000573695644 326083300 /nfs/dbraw/zinc/08/33/00/326083300.db2.gz CFWHRJLMQJUCRL-UHFFFAOYSA-N 1 0 315.417 2.031 10 0 DEAERO CCc1cnc(CC[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)s1 ZINC000187260821 332964585 /nfs/dbraw/zinc/96/45/85/332964585.db2.gz JDEQVBLNRIZUFI-NSHDSACASA-N 1 0 316.492 2.051 10 0 DEAERO COC[C@H](C)C[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000187682216 332981956 /nfs/dbraw/zinc/98/19/56/332981956.db2.gz OXKAOMGCVAGLJA-KGLIPLIRSA-N 1 0 320.433 2.277 10 0 DEAERO [NH3+][C@H](CNC(=O)c1coc(Br)c1)c1ccccc1 ZINC000378918868 333064174 /nfs/dbraw/zinc/06/41/74/333064174.db2.gz NZHPEPMRTVCJTO-LLVKDONJSA-N 1 0 309.163 2.472 10 0 DEAERO O=S1(=O)CCC(C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189408905 333084131 /nfs/dbraw/zinc/08/41/31/333084131.db2.gz CRQBQYQMUJSZAG-UHFFFAOYSA-N 1 0 305.802 2.394 10 0 DEAERO COC[C@@H](C)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000189640114 333190444 /nfs/dbraw/zinc/19/04/44/333190444.db2.gz ZXFJBZIUUKQWLI-AWEZNQCLSA-N 1 0 308.397 2.256 10 0 DEAERO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000580408967 337399373 /nfs/dbraw/zinc/39/93/73/337399373.db2.gz SGDBBYDVOQZBDX-JKSUJKDBSA-N 1 0 314.495 2.216 10 0 DEAERO Cn1c2ccc(C[NH2+]CCc3cscn3)cc2sc1=O ZINC000192594589 341876615 /nfs/dbraw/zinc/87/66/15/341876615.db2.gz GARKJDHPJXCWTE-UHFFFAOYSA-N 1 0 305.428 2.389 10 0 DEAERO CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)[C@@H](C)C1 ZINC000553329398 500689323 /nfs/dbraw/zinc/68/93/23/500689323.db2.gz HERAPKWRKANTGY-UONOGXRCSA-N 1 0 318.465 2.191 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccnn1C ZINC000192953555 534003340 /nfs/dbraw/zinc/00/33/40/534003340.db2.gz UGYFALPRUOBASN-RYUDHWBXSA-N 1 0 305.813 2.398 10 0 DEAERO Cc1cc2cc(C[NH2+][C@H]3COC[C@H]3n3ccnn3)oc2cc1C ZINC000328931600 534092199 /nfs/dbraw/zinc/09/21/99/534092199.db2.gz HZDWIHSYNWSEBL-JKSUJKDBSA-N 1 0 312.373 2.371 10 0 DEAERO C[C@@H]1CCC[C@@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000079392024 518179146 /nfs/dbraw/zinc/17/91/46/518179146.db2.gz SKQGLKLZRFPNFO-HZPDHXFCSA-N 1 0 311.470 2.319 10 0 DEAERO C(c1nc(C2CCCC2)no1)N1CC[NH+](C2CCOCC2)CC1 ZINC000154836364 518405750 /nfs/dbraw/zinc/40/57/50/518405750.db2.gz HWXQYMVJZSFOGR-UHFFFAOYSA-N 1 0 320.437 2.024 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccncc2OC)C1 ZINC000249185910 520250752 /nfs/dbraw/zinc/25/07/52/520250752.db2.gz KTDXKQUVAYAION-ZIAGYGMSSA-N 1 0 320.437 2.134 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N(C)CCc1ncc(C)s1 ZINC000157378606 520612671 /nfs/dbraw/zinc/61/26/71/520612671.db2.gz TVPHLAPDRJJMNE-UHFFFAOYSA-N 1 0 312.483 2.367 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H](C)CO)c1ccccc1 ZINC000128388157 520831356 /nfs/dbraw/zinc/83/13/56/520831356.db2.gz NYIGPUDFZIOHKX-HOCLYGCPSA-N 1 0 307.438 2.092 10 0 DEAERO CCC[C@H](C(=O)Nc1ccn(CCc2ccncc2)n1)[NH+](C)C ZINC000161886922 520989360 /nfs/dbraw/zinc/98/93/60/520989360.db2.gz ZLXHZWCZGODEBQ-OAHLLOKOSA-N 1 0 315.421 2.190 10 0 DEAERO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCOC1 ZINC000171614451 521750330 /nfs/dbraw/zinc/75/03/30/521750330.db2.gz WAGQGDSDOHHSEM-HNNXBMFYSA-N 1 0 323.412 2.078 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccc(OC(C)C)c(OC)c2)CC1 ZINC000237094479 521950156 /nfs/dbraw/zinc/95/01/56/521950156.db2.gz VUKSLRYDSRKZBU-UHFFFAOYSA-N 1 0 306.406 2.306 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000237094528 521950429 /nfs/dbraw/zinc/95/04/29/521950429.db2.gz NPVDGRBLGFZLEQ-UHFFFAOYSA-N 1 0 314.332 2.121 10 0 DEAERO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CCCC[C@H]1O ZINC000245538184 522501437 /nfs/dbraw/zinc/50/14/37/522501437.db2.gz 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ZINC000355902391 534808448 /nfs/dbraw/zinc/80/84/48/534808448.db2.gz DNDONRVCIUQRCQ-OALUTQOASA-N 1 0 315.461 2.061 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000237459513 525145349 /nfs/dbraw/zinc/14/53/49/525145349.db2.gz YKTOCEJCGDBWEY-NWANDNLSSA-N 1 0 315.417 2.118 10 0 DEAERO Cc1nc(C)c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)s1 ZINC000328626059 534883557 /nfs/dbraw/zinc/88/35/57/534883557.db2.gz DTYJXYREYSZVDH-SWLSCSKDSA-N 1 0 306.435 2.361 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCCCO)C[C@@H]12 ZINC000248602106 534895747 /nfs/dbraw/zinc/89/57/47/534895747.db2.gz OECYGAOPIUSLJP-RBSFLKMASA-N 1 0 312.454 2.384 10 0 DEAERO C[C@H](C(=O)NCCCC[NH+]1CCOCC1)c1ccccc1F ZINC000108989337 526043847 /nfs/dbraw/zinc/04/38/47/526043847.db2.gz OAHYWYGJEBHYAF-AWEZNQCLSA-N 1 0 308.397 2.158 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC(C)C)C(=O)OC(C)C ZINC000358268241 534903059 /nfs/dbraw/zinc/90/30/59/534903059.db2.gz XHRGRHYUJROJDP-CABCVRRESA-N 1 0 312.454 2.343 10 0 DEAERO C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246769482 526166033 /nfs/dbraw/zinc/16/60/33/526166033.db2.gz OBNPMBFDTFXZQF-KBPBESRZSA-N 1 0 322.453 2.082 10 0 DEAERO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc(-c2cccs2)n[nH]1 ZINC000237880983 526389140 /nfs/dbraw/zinc/38/91/40/526389140.db2.gz GCPOXFLUHIQZOW-LLVKDONJSA-N 1 0 304.419 2.258 10 0 DEAERO c1c(C2CC2)[nH]nc1N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000189243302 526397390 /nfs/dbraw/zinc/39/73/90/526397390.db2.gz USLCYYCFGWCCRF-UHFFFAOYSA-N 1 0 317.481 2.285 10 0 DEAERO [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)C1CC1 ZINC000245645725 527386721 /nfs/dbraw/zinc/38/67/21/527386721.db2.gz CBOTTYLPWONYBV-BFHYXJOUSA-N 1 0 323.234 2.406 10 0 DEAERO O[C@@H](C[NH+]1CCC(n2cc(Cl)cn2)CC1)CC(F)(F)F ZINC000364278018 527646790 /nfs/dbraw/zinc/64/67/90/527646790.db2.gz BAXKVTTZXVBTKM-LLVKDONJSA-N 1 0 311.735 2.487 10 0 DEAERO CC(C)c1cc(N[C@@H]2CCC[C@@H]2O)nc(N[C@H]2CCC[C@@H]2O)[nH+]1 ZINC000302777844 528052054 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CCO[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccccc2)C12CCOCC2 ZINC000248977406 535407386 /nfs/dbraw/zinc/40/73/86/535407386.db2.gz HZSOWZLHLJJIPB-KZNAEPCWSA-N 1 0 319.445 2.458 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NCCc2ccc(C)cn2)CC1 ZINC000454641888 535448371 /nfs/dbraw/zinc/44/83/71/535448371.db2.gz FMKLSGAAPXMHHM-UHFFFAOYSA-N 1 0 318.465 2.354 10 0 DEAERO CCC[C@H]1C[N@H+](C[C@@H](O)C2CCCCC2)CCN1CCOC ZINC000249067127 535742501 /nfs/dbraw/zinc/74/25/01/535742501.db2.gz KHWBFZCBKJGSNT-ZWKOTPCHSA-N 1 0 312.498 2.360 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000247659049 535836651 /nfs/dbraw/zinc/83/66/51/535836651.db2.gz ZHZVFVCZQBGDNB-OIISXLGYSA-N 1 0 304.434 2.185 10 0 DEAERO CC[C@H](NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)c1nccs1 ZINC000262433879 535856876 /nfs/dbraw/zinc/85/68/76/535856876.db2.gz GCAYZPXWAXGODV-PVTKRXDGSA-N 1 0 323.462 2.243 10 0 DEAERO CCc1noc(C)c1CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000454876795 535882346 /nfs/dbraw/zinc/88/23/46/535882346.db2.gz PRYHQNBJLKLCEM-OAHLLOKOSA-N 1 0 322.453 2.465 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC000247154974 536174032 /nfs/dbraw/zinc/17/40/32/536174032.db2.gz LXZJKEWXTPJHAU-HZPDHXFCSA-N 1 0 318.465 2.483 10 0 DEAERO CN(CCC1CCCCC1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261959079 536322275 /nfs/dbraw/zinc/32/22/75/536322275.db2.gz PGQNAHKNZQZUNW-SJORKVTESA-N 1 0 318.465 2.152 10 0 DEAERO C[C@H]1CN(Cc2cnc(NC(=O)CC3CC3)s2)CC[C@@H]1[NH3+] ZINC000725272085 563577545 /nfs/dbraw/zinc/57/75/45/563577545.db2.gz MDXAZCKEVVSBOI-GWCFXTLKSA-N 1 0 308.451 2.051 10 0 DEAERO C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000255582174 625304325 /nfs/dbraw/zinc/30/43/25/625304325.db2.gz OCUKSWQWSMDMHH-WKOYGUFESA-N 1 0 320.408 2.192 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1 ZINC000178951354 625404475 /nfs/dbraw/zinc/40/44/75/625404475.db2.gz FDPFVNCWWPAROF-UHFFFAOYSA-N 1 0 302.827 2.021 10 0 DEAERO COC(=O)COc1ccc(C[N@H+](C)CC2(O)CCCCC2)cc1 ZINC000187740769 625444480 /nfs/dbraw/zinc/44/44/80/625444480.db2.gz CRISAPMRIQVSBR-UHFFFAOYSA-N 1 0 321.417 2.365 10 0 DEAERO COC[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)C1CCOCC1 ZINC000188279741 625445556 /nfs/dbraw/zinc/44/55/56/625445556.db2.gz PZKICOMJXXOYCR-IRXDYDNUSA-N 1 0 311.397 2.064 10 0 DEAERO CCCCCCNC(=O)[C@@H]1CCCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000193227004 625615389 /nfs/dbraw/zinc/61/53/89/625615389.db2.gz MCWMIHJSTZSFQV-LSDHHAIUSA-N 1 0 311.470 2.049 10 0 DEAERO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000300414768 623124082 /nfs/dbraw/zinc/12/40/82/623124082.db2.gz OCWLCWWOARMHHF-KGYLQXTDSA-N 1 0 314.476 2.269 10 0 DEAERO COC(OC)[C@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000079606033 623594568 /nfs/dbraw/zinc/59/45/68/623594568.db2.gz ASXHIEKPIIYLJS-VIFPVBQESA-N 1 0 301.770 2.208 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@H]2COc3ccccc32)C1 ZINC000247249639 623595510 /nfs/dbraw/zinc/59/55/10/623595510.db2.gz QCMSMLACRHDFKD-ZBFHGGJFSA-N 1 0 319.401 2.063 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)/C=C\c2ccccc2)C1 ZINC000255275284 624076621 /nfs/dbraw/zinc/07/66/21/624076621.db2.gz IUQFFBPAIKRDIY-JINBKUQRSA-N 1 0 320.458 2.403 10 0 DEAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161031592 624469447 /nfs/dbraw/zinc/46/94/47/624469447.db2.gz LIRFTZKSRWSREL-GFCCVEGCSA-N 1 0 307.438 2.243 10 0 DEAERO C[C@@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000049646076 624907358 /nfs/dbraw/zinc/90/73/58/624907358.db2.gz MSQKNZWPBXMYJM-ZWNOBZJWSA-N 1 0 302.827 2.072 10 0 DEAERO CC(C)COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000066244541 625057951 /nfs/dbraw/zinc/05/79/51/625057951.db2.gz AWZLWAJGEQAHMW-HNNXBMFYSA-N 1 0 305.422 2.305 10 0 DEAERO CC1(C)C(=O)N(CN2CCC(C[NH+]3CCCC3)CC2)C1(C)C ZINC000177688703 625060033 /nfs/dbraw/zinc/06/00/33/625060033.db2.gz IPJXJWWZNGZFFF-UHFFFAOYSA-N 1 0 307.482 2.399 10 0 DEAERO CC(=O)CC[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000177693832 625060972 /nfs/dbraw/zinc/06/09/72/625060972.db2.gz XXFMRGPBOBXYAI-UHFFFAOYSA-N 1 0 302.418 2.302 10 0 DEAERO COC(=O)CC(C)(C)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000178335749 625180462 /nfs/dbraw/zinc/18/04/62/625180462.db2.gz FXOXEQVMGRORNL-UHFFFAOYSA-N 1 0 305.353 2.443 10 0 DEAERO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1(O)CCCCC1 ZINC000309906883 625230620 /nfs/dbraw/zinc/23/06/20/625230620.db2.gz KPRKZTCCBZQNNZ-ZDUSSCGKSA-N 1 0 300.443 2.432 10 0 DEAERO Cc1nccnc1[C@@H](C)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000235176460 625259081 /nfs/dbraw/zinc/25/90/81/625259081.db2.gz WBHCZCLJGGZDSX-PNESKVBLSA-N 1 0 306.410 2.491 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1nc(C)c2ccccc2c1=O ZINC000177157869 625863291 /nfs/dbraw/zinc/86/32/91/625863291.db2.gz XKPWSNMXQNAQRV-HNNXBMFYSA-N 1 0 314.433 2.079 10 0 DEAERO CC(=O)CCN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000057653595 634802470 /nfs/dbraw/zinc/80/24/70/634802470.db2.gz KRFXMMHLGZSCDY-UHFFFAOYSA-N 1 0 308.809 2.006 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000299992227 633309950 /nfs/dbraw/zinc/30/99/50/633309950.db2.gz WEBRMNLTKCLXRC-AVGNSLFASA-N 1 0 316.442 2.419 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCc3ccccc32)C1 ZINC000247371860 636161105 /nfs/dbraw/zinc/16/11/05/636161105.db2.gz PFEXKIVWJRLRFR-BFYDXBDKSA-N 1 0 315.461 2.283 10 0 DEAERO COC(=O)c1cnc(N(C)CCC[NH+](C)C)cc1C(F)(F)F ZINC000804594746 636357089 /nfs/dbraw/zinc/35/70/89/636357089.db2.gz PMJGOEGRDRFNJC-UHFFFAOYSA-N 1 0 319.327 2.275 10 0 DEAERO C=CCNC(=[NH2+])NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000087000943 637186805 /nfs/dbraw/zinc/18/68/05/637186805.db2.gz RTESEXZDTJXGLM-AWEZNQCLSA-N 1 0 303.406 2.001 10 0 DEAERO CC(C)(C)OC(=O)N1CCC([C@H](CO)CC[NH2+]C2CC2)CC1 ZINC000685963825 637270428 /nfs/dbraw/zinc/27/04/28/637270428.db2.gz XWPULYMOAZLXNR-AWEZNQCLSA-N 1 0 312.454 2.384 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Cl)nc(N(C)C)c2)C1 ZINC000742901786 638103745 /nfs/dbraw/zinc/10/37/45/638103745.db2.gz QEWRMEBRNNQYEA-CYBMUJFWSA-N 1 0 324.856 2.357 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](C)c1nc(C)cs1 ZINC000727660196 638191712 /nfs/dbraw/zinc/19/17/12/638191712.db2.gz VKHYEZVRHVMNCT-NEPJUHHUSA-N 1 0 312.508 2.461 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000746179197 638319952 /nfs/dbraw/zinc/31/99/52/638319952.db2.gz SRHKHZMODWPSKH-KRWDZBQOSA-N 1 0 304.434 2.300 10 0 DEAERO C[NH+](C)[C@@]1(CNC(=S)NCc2ccccc2)CCSC1 ZINC000748603297 638578882 /nfs/dbraw/zinc/57/88/82/638578882.db2.gz UTERRHDIGCLWRC-OAHLLOKOSA-N 1 0 309.504 2.088 10 0 DEAERO COC(=O)/C(C)=C\C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000748818365 638594534 /nfs/dbraw/zinc/59/45/34/638594534.db2.gz VJKORJWGEFWBGW-UUASQNMZSA-N 1 0 322.449 2.076 10 0 DEAERO C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000749362952 638638010 /nfs/dbraw/zinc/63/80/10/638638010.db2.gz GEUSPMWENQKBSN-RKXUAZDKSA-N 1 0 318.392 2.208 10 0 DEAERO [NH3+]CC1(C(=O)NCC23CC4CC(CC(C4)C2)C3)CCOCC1 ZINC000262368604 639031636 /nfs/dbraw/zinc/03/16/36/639031636.db2.gz XGLVZINPKBSKCN-UHFFFAOYSA-N 1 0 306.450 2.075 10 0 DEAERO C[C@@H](CNC(=O)Nc1ncn(C(C)(C)C)n1)[NH+]1CCCCC1 ZINC000753004456 639246096 /nfs/dbraw/zinc/24/60/96/639246096.db2.gz XYMBJUBCGNXBER-LBPRGKRZSA-N 1 0 308.430 2.029 10 0 DEAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000802318009 645516707 /nfs/dbraw/zinc/51/67/07/645516707.db2.gz LWVQFJGEFUSFQE-XJKSGUPXSA-N 1 0 315.417 2.085 10 0 DEAERO O=C(Cc1ccc(F)cn1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000806275225 645813115 /nfs/dbraw/zinc/81/31/15/645813115.db2.gz YQKDNIRZYJUHIY-OAHLLOKOSA-N 1 0 317.364 2.310 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC12OCCO2)c1ccsc1 ZINC000806430326 645830162 /nfs/dbraw/zinc/83/01/62/645830162.db2.gz LXLLBFDMAGNTDK-ZIAGYGMSSA-N 1 0 324.446 2.010 10 0 DEAERO CON(C)C(=O)CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000806625316 645854895 /nfs/dbraw/zinc/85/48/95/645854895.db2.gz DTDWTSFWIVGWQO-JTQLQIEISA-N 1 0 302.321 2.349 10 0 DEAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Br)c(F)c1 ZINC000757183711 645937823 /nfs/dbraw/zinc/93/78/23/645937823.db2.gz GCSOVHIVGHPUJK-DTWKUNHWSA-N 1 0 302.143 2.064 10 0 DEAERO C[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000222544442 646451707 /nfs/dbraw/zinc/45/17/07/646451707.db2.gz MNSFVISPMMMMJX-FZMZJTMJSA-N 1 0 308.809 2.318 10 0 DEAERO CCOCCO[C@H]1CC[N@H+](C[C@H](O)c2cc(C)cc(C)c2)C1 ZINC000157729477 646557995 /nfs/dbraw/zinc/55/79/95/646557995.db2.gz LFJCLHSUCDYCSX-ROUUACIJSA-N 1 0 307.434 2.464 10 0 DEAERO COC(OC)[C@H](C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000226367610 646569094 /nfs/dbraw/zinc/56/90/94/646569094.db2.gz RENXCQJVDMDHCW-LBPRGKRZSA-N 1 0 316.442 2.231 10 0 DEAERO Clc1cc(CN2CCCC[C@H]2CN2CCOCC2)ccn1 ZINC000171942454 646717666 /nfs/dbraw/zinc/71/76/66/646717666.db2.gz KACJFMCQURQIQY-HNNXBMFYSA-N 1 0 309.841 2.422 10 0 DEAERO CN(CC[NH+]1CCC2(CC1)OCCO2)Cc1ccc(F)cc1 ZINC000173188131 646762636 /nfs/dbraw/zinc/76/26/36/646762636.db2.gz HJFRQKDHMUJOII-UHFFFAOYSA-N 1 0 308.397 2.096 10 0 DEAERO O=C(C[N@@H+]1CCC2(CCCC2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000174276883 646802872 /nfs/dbraw/zinc/80/28/72/646802872.db2.gz BNAUSICILHDISS-HZPDHXFCSA-N 1 0 306.450 2.423 10 0 DEAERO COC(=O)[C@H]1CCC[N@H+](Cn2cnc3cc(F)c(F)cc32)C1 ZINC000151616218 646983515 /nfs/dbraw/zinc/98/35/15/646983515.db2.gz LTPAXDNIJPPPJJ-JTQLQIEISA-N 1 0 309.316 2.157 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nnc2ccccc2c1=S ZINC000153231620 647393249 /nfs/dbraw/zinc/39/32/49/647393249.db2.gz GRFMXOVGKYTNJB-QWHCGFSZSA-N 1 0 315.446 2.287 10 0 DEAERO CC(C)COc1ccccc1C(=O)NCCNc1cc[nH+]cc1 ZINC000731365711 647469757 /nfs/dbraw/zinc/46/97/57/647469757.db2.gz RDEPHGNTLQEQSF-UHFFFAOYSA-N 1 0 313.401 2.380 10 0 DEAERO COCCN(CC[NH+](C)C)C(=O)/C=C(\C)c1cccc(F)c1 ZINC000732074725 647539783 /nfs/dbraw/zinc/53/97/83/647539783.db2.gz RZHXCDABWPNZIR-WYMLVPIESA-N 1 0 308.397 2.266 10 0 DEAERO C[NH+](C)[C@@H]1CCN(Cn2nc(-c3ccccc3)oc2=S)C1 ZINC000170843430 648353670 /nfs/dbraw/zinc/35/36/70/648353670.db2.gz QDDMBOPSXGDLOW-CYBMUJFWSA-N 1 0 304.419 2.466 10 0 DEAERO CC[C@@H](CCO)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000233873273 648356434 /nfs/dbraw/zinc/35/64/34/648356434.db2.gz VMHAEYSPWJJXIH-UONOGXRCSA-N 1 0 300.443 2.384 10 0 DEAERO CN(C)Cc1cc(CC2([NH2+]CC3CCCCC3)COC2)no1 ZINC000067897793 648373208 /nfs/dbraw/zinc/37/32/08/648373208.db2.gz NNXKMYICZZMYAV-UHFFFAOYSA-N 1 0 307.438 2.218 10 0 DEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(Cl)nc(Cl)c1 ZINC000071189318 649061374 /nfs/dbraw/zinc/06/13/74/649061374.db2.gz KYENXLRTCOQLEJ-SECBINFHSA-N 1 0 302.205 2.412 10 0 DEAERO CNC(=O)[C@@H]([NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12)C(C)C ZINC000183688467 649134910 /nfs/dbraw/zinc/13/49/10/649134910.db2.gz QXGUHKUZYXKUDM-INIZCTEOSA-N 1 0 316.401 2.270 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184347386 649258147 /nfs/dbraw/zinc/25/81/47/649258147.db2.gz CAPUECXVRISNTJ-UHFFFAOYSA-N 1 0 320.393 2.029 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC1CCCCCCC1 ZINC000113270556 651679012 /nfs/dbraw/zinc/67/90/12/651679012.db2.gz NBLUTRPBIBLIOS-NVXWUHKLSA-N 1 0 307.482 2.384 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000379136882 685390650 /nfs/dbraw/zinc/39/06/50/685390650.db2.gz DFIQMGPRAXFRLJ-JHJVBQTASA-N 1 0 306.410 2.363 10 0 DEAERO C[C@@]1(CNC(=O)c2ncccc2N)CC[N@H+](Cc2ccccc2)C1 ZINC000379746626 685393605 /nfs/dbraw/zinc/39/36/05/685393605.db2.gz WKMYFTWXGAVYQR-IBGZPJMESA-N 1 0 324.428 2.306 10 0 DEAERO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cnn(C)n1 ZINC000389834980 685436270 /nfs/dbraw/zinc/43/62/70/685436270.db2.gz NKIYZRWCZYOWNH-GXTWGEPZSA-N 1 0 323.441 2.083 10 0 DEAERO Cc1noc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)n1 ZINC000390779312 685442898 /nfs/dbraw/zinc/44/28/98/685442898.db2.gz PTZISCPGCBHEIH-CZUORRHYSA-N 1 0 300.406 2.173 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CCN1CC=CCC1 ZINC000392293634 685449218 /nfs/dbraw/zinc/44/92/18/685449218.db2.gz OKEJGTVQTFTOEX-OAHLLOKOSA-N 1 0 309.454 2.237 10 0 DEAERO CC(C)[C@H](CO)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000394033554 685455332 /nfs/dbraw/zinc/45/53/32/685455332.db2.gz MORXDRDORDQNDO-UONOGXRCSA-N 1 0 300.443 2.240 10 0 DEAERO CSCc1cc(F)ccc1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000086999715 684013415 /nfs/dbraw/zinc/01/34/15/684013415.db2.gz ZOYXWSIKZQGHSU-AWEZNQCLSA-N 1 0 311.426 2.272 10 0 DEAERO Cc1nn(C)c(C)c1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117100272 684067381 /nfs/dbraw/zinc/06/73/81/684067381.db2.gz ZFYRANTYXPGNHY-INIZCTEOSA-N 1 0 313.401 2.468 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCc1ccc(Cl)nc1 ZINC000119809569 684087788 /nfs/dbraw/zinc/08/77/88/684087788.db2.gz ARLWUTQBMMKWHV-LBPRGKRZSA-N 1 0 312.845 2.307 10 0 DEAERO CC[C@](C)(O)C[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000123689137 684127553 /nfs/dbraw/zinc/12/75/53/684127553.db2.gz QAQPCQYNNHFJHT-KRWDZBQOSA-N 1 0 306.406 2.102 10 0 DEAERO Fc1ccc(SCc2noc(C[C@@H]3COCC[NH2+]3)n2)cc1 ZINC000129646035 684180989 /nfs/dbraw/zinc/18/09/89/684180989.db2.gz KEOZSAUUSHKNCQ-LLVKDONJSA-N 1 0 309.366 2.032 10 0 DEAERO CC(C)[C@H](C(=O)OCc1nnc(C2CC2)n1C)[NH+]1CCCCC1 ZINC000132519299 684209768 /nfs/dbraw/zinc/20/97/68/684209768.db2.gz NWJXSLWYQFSDPV-OAHLLOKOSA-N 1 0 320.437 2.246 10 0 DEAERO C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1csc(-c2ccccn2)n1 ZINC000155471026 684274332 /nfs/dbraw/zinc/27/43/32/684274332.db2.gz DKXOOUPLPLPTGT-TXEJJXNPSA-N 1 0 316.430 2.370 10 0 DEAERO COC(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000156943924 684292381 /nfs/dbraw/zinc/29/23/81/684292381.db2.gz SFFWWHGSIYTDOP-BXUZGUMPSA-N 1 0 305.378 2.064 10 0 DEAERO CC[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000187642243 684341537 /nfs/dbraw/zinc/34/15/37/684341537.db2.gz ULWPEMCUTVGFIR-AWEZNQCLSA-N 1 0 316.854 2.272 10 0 DEAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187809232 684343844 /nfs/dbraw/zinc/34/38/44/684343844.db2.gz SSGVVLNRMPGQRY-KBPBESRZSA-N 1 0 302.484 2.072 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CC1CCC2(CC1)OCCO2 ZINC000188235269 684352233 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C[NH+](C)C[C@H](NC(=O)[C@H]1CSCCS1)c1ccccc1 ZINC000192933719 684460507 /nfs/dbraw/zinc/46/05/07/684460507.db2.gz WTIKUIIEKXZBBP-UONOGXRCSA-N 1 0 310.488 2.254 10 0 DEAERO Cc1csc([C@H]2CCCN(CN3C(=O)CC(C)(C)C3=O)C2)n1 ZINC000195304873 685093582 /nfs/dbraw/zinc/09/35/82/685093582.db2.gz BWCDVXAGMOXDQQ-LBPRGKRZSA-N 1 0 321.446 2.374 10 0 DEAERO CSc1cc2c(cc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1)OCCO2 ZINC000237300798 685108009 /nfs/dbraw/zinc/10/80/09/685108009.db2.gz BWJGZTAIEPEFDA-ZJUUUORDSA-N 1 0 308.403 2.246 10 0 DEAERO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H](O)c2cc(C)cc(C)c2)C1 ZINC000246811377 685136814 /nfs/dbraw/zinc/13/68/14/685136814.db2.gz PWBQCVAIAMTDHR-AEFFLSMTSA-N 1 0 304.434 2.137 10 0 DEAERO COC(=O)[C@@H]1C[C@H]1C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248393546 685157722 /nfs/dbraw/zinc/15/77/22/685157722.db2.gz XBEWPYBZFQOSDB-ARFHVFGLSA-N 1 0 317.385 2.003 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000248831724 685168964 /nfs/dbraw/zinc/16/89/64/685168964.db2.gz BQMLQKBIOXNYOU-KNPMLCFXSA-N 1 0 315.417 2.151 10 0 DEAERO C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251703576 685191998 /nfs/dbraw/zinc/19/19/98/685191998.db2.gz OKPXWWACXRMZGD-RISCZKNCSA-N 1 0 316.854 2.415 10 0 DEAERO C[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000251851096 685192045 /nfs/dbraw/zinc/19/20/45/685192045.db2.gz RLODIZMFMLROSP-JOYOIKCWSA-N 1 0 322.352 2.154 10 0 DEAERO CC(=O)N1C[C@H]([NH2+]Cc2ccncc2)CC[C@@H]1C(F)(F)F ZINC000886027684 691986928 /nfs/dbraw/zinc/98/69/28/691986928.db2.gz DNBRALLGPDAZMH-CHWSQXEVSA-N 1 0 301.312 2.113 10 0 DEAERO CCOC1CC([NH2+][C@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)C1 ZINC000886031750 691988495 /nfs/dbraw/zinc/98/84/95/691988495.db2.gz SCSTVCHYXOOOAF-YWPUVAFDSA-N 1 0 308.344 2.085 10 0 DEAERO COc1ccccc1CC[NH2+]C[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000886079317 691998880 /nfs/dbraw/zinc/99/88/80/691998880.db2.gz RHBUVKXNZGBLGW-QAPCUYQASA-N 1 0 315.417 2.339 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000886095540 692002749 /nfs/dbraw/zinc/00/27/49/692002749.db2.gz ZSDKYCNPDNRAFU-ZLENFMNRSA-N 1 0 317.437 2.199 10 0 DEAERO C[C@@H](C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)C[C@H](C)O ZINC000398581158 790280122 /nfs/dbraw/zinc/28/01/22/790280122.db2.gz TZGOAFBQSPVRIW-HZSPNIEDSA-N 1 0 300.443 2.383 10 0 DEAERO COCC[N@@H+]1CC[C@@H](Nc2cncc(Br)c2C)C1 ZINC000722736123 776715473 /nfs/dbraw/zinc/71/54/73/776715473.db2.gz QFFYJRRJOOHVNN-LLVKDONJSA-N 1 0 314.227 2.285 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)/C(C)=C\c1ccc(C)cc1 ZINC000588400684 777071562 /nfs/dbraw/zinc/07/15/62/777071562.db2.gz LPTGEFKXUSKYFN-PEZBUJJGSA-N 1 0 304.434 2.483 10 0 DEAERO Cc1cn(C)nc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000723501999 777113437 /nfs/dbraw/zinc/11/34/37/777113437.db2.gz XTDNIIJSTWCLPX-KGLIPLIRSA-N 1 0 322.453 2.464 10 0 DEAERO CN1C[C@@H](CC[NH2+]Cc2cscc2Br)CC1=O ZINC000723551707 777121339 /nfs/dbraw/zinc/12/13/39/777121339.db2.gz HWBZEPYMTRIXCQ-VIFPVBQESA-N 1 0 317.252 2.469 10 0 DEAERO CN1C[C@H](CC[NH2+]C2CCN(Cc3ccccc3)CC2)CC1=O ZINC000723583744 777128192 /nfs/dbraw/zinc/12/81/92/777128192.db2.gz WKTIBLHHQFHKIL-QGZVFWFLSA-N 1 0 315.461 2.109 10 0 DEAERO CC[C@H]([NH2+]Cc1nc(Br)c[nH]1)[C@H]1CCCOC1 ZINC000724011147 777220769 /nfs/dbraw/zinc/22/07/69/777220769.db2.gz CYGJJKQEOHRUGN-UWVGGRQHSA-N 1 0 302.216 2.467 10 0 DEAERO COC1(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CCCC1 ZINC000724036208 777225588 /nfs/dbraw/zinc/22/55/88/777225588.db2.gz LDGVMFZLVWQTNI-VIFPVBQESA-N 1 0 305.287 2.484 10 0 DEAERO C[C@](O)(C[N@@H+]1CCC[C@H](CO)CC1)C(F)(F)C(F)(F)F ZINC000724041293 777228839 /nfs/dbraw/zinc/22/88/39/777228839.db2.gz NGCWVMDLZJTNAO-UWVGGRQHSA-N 1 0 305.287 2.029 10 0 DEAERO CCC(O)(CC)C[N@H+](C)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724050308 777231278 /nfs/dbraw/zinc/23/12/78/777231278.db2.gz XHPRVLMFZJLZMT-SECBINFHSA-N 1 0 307.303 2.418 10 0 DEAERO CC(C)(O)[C@H]1CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724060288 777232501 /nfs/dbraw/zinc/23/25/01/777232501.db2.gz UCFBHFPJACCXGS-WPRPVWTQSA-N 1 0 305.287 2.028 10 0 DEAERO C[N@H+](C[C@H]1CCCCO1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724112559 777244092 /nfs/dbraw/zinc/24/40/92/777244092.db2.gz ULOOJYSYNBCYPK-ZJUUUORDSA-N 1 0 305.287 2.436 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CCN1C ZINC000724119899 777246087 /nfs/dbraw/zinc/24/60/87/777246087.db2.gz NVOLQXQOYNVTKY-KBUPBQIOSA-N 1 0 311.470 2.362 10 0 DEAERO CO[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC000724315438 777273740 /nfs/dbraw/zinc/27/37/40/777273740.db2.gz ZWKKMOQYDMBMMK-AGIDCKOXSA-N 1 0 301.452 2.032 10 0 DEAERO COc1ccc(C[NH2+][C@@H]2CC23CC(O)C3)cc1Br ZINC000724948199 777531761 /nfs/dbraw/zinc/53/17/61/777531761.db2.gz XTSZZLPFQVMLMD-IWXRYERYSA-N 1 0 312.207 2.461 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000725116417 777588031 /nfs/dbraw/zinc/58/80/31/777588031.db2.gz GFDQSIUAJLYIPX-AVGNSLFASA-N 1 0 314.476 2.113 10 0 DEAERO COc1ccccc1C/C(C)=C\C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000588528687 778020425 /nfs/dbraw/zinc/02/04/25/778020425.db2.gz HJAZCEGDSWKRCQ-PRPKNLAESA-N 1 0 302.418 2.298 10 0 DEAERO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CCO1 ZINC000722488791 778739036 /nfs/dbraw/zinc/73/90/36/778739036.db2.gz DZUNIGZJZVDZNV-RWMBFGLXSA-N 1 0 300.399 2.085 10 0 DEAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CCO1 ZINC000722488702 778739427 /nfs/dbraw/zinc/73/94/27/778739427.db2.gz DZUNIGZJZVDZNV-JHJVBQTASA-N 1 0 300.399 2.085 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC000722563703 778783180 /nfs/dbraw/zinc/78/31/80/778783180.db2.gz AVESXXMJBLYCPO-PRHODGIISA-N 1 0 302.465 2.092 10 0 DEAERO CCN1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000721856695 780392041 /nfs/dbraw/zinc/39/20/41/780392041.db2.gz WJVLSRCVCXWLQJ-UKRRQHHQSA-N 1 0 311.470 2.316 10 0 DEAERO CO[C@@]1(C[NH2+][C@H](C)c2csc(Cl)c2)CCS(=O)(=O)C1 ZINC000721209901 784249890 /nfs/dbraw/zinc/24/98/90/784249890.db2.gz DVKRDWXLVSXVPJ-BXKDBHETSA-N 1 0 323.867 2.256 10 0 DEAERO CCn1cc(Br)cc1C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000712314429 784814110 /nfs/dbraw/zinc/81/41/10/784814110.db2.gz LIHLTGHYRSBQTC-NSHDSACASA-N 1 0 314.227 2.095 10 0 DEAERO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)ccc1F ZINC000712312950 784815090 /nfs/dbraw/zinc/81/50/90/784815090.db2.gz FCUPRPNPLKPHAN-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO CC(C)(C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)CS(C)(=O)=O ZINC000721866866 787323603 /nfs/dbraw/zinc/32/36/03/787323603.db2.gz BRJSTHHJKASOKV-STQMWFEESA-N 1 0 305.484 2.241 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NC(C)(C)CCC[NH3+])c1C ZINC000722569509 787333868 /nfs/dbraw/zinc/33/38/68/787333868.db2.gz DSVWCCBQALXGDF-UHFFFAOYSA-N 1 0 304.481 2.469 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c1C ZINC000722594017 787335216 /nfs/dbraw/zinc/33/52/16/787335216.db2.gz OQWPELSDEALVNE-ZJUUUORDSA-N 1 0 302.465 2.044 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC(=O)N(C)C2)CN1Cc1ccccc1 ZINC000723581522 787344308 /nfs/dbraw/zinc/34/43/08/787344308.db2.gz LIJBJCZMWNAULT-KBAYOESNSA-N 1 0 315.461 2.107 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]CC[C@H]2CC(=O)N(C)C2)CCN1Cc1ccccc1 ZINC000723582002 787344436 /nfs/dbraw/zinc/34/44/36/787344436.db2.gz MSQXLKAQAMDWOH-NJAFHUGGSA-N 1 0 315.461 2.107 10 0 DEAERO CC(C)(C[NH2+]Cc1cc(F)c(F)c(F)c1)CS(C)(=O)=O ZINC000723847343 787345375 /nfs/dbraw/zinc/34/53/75/787345375.db2.gz GZGOXUCOHKWIAH-UHFFFAOYSA-N 1 0 309.353 2.264 10 0 DEAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724641300 787352433 /nfs/dbraw/zinc/35/24/33/787352433.db2.gz UEVSGVYJVHGTJB-OKZBNKHCSA-N 1 0 318.461 2.291 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC(O)C3)C1(C)C ZINC000724912040 787354206 /nfs/dbraw/zinc/35/42/06/787354206.db2.gz HDGFKDHJCADKSA-OTMHRBMSSA-N 1 0 310.438 2.181 10 0 DEAERO COC(=O)/C(C)=C\CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000750054903 791969104 /nfs/dbraw/zinc/96/91/04/791969104.db2.gz NZUOSIKCCISNGT-BAPRJRNISA-N 1 0 302.418 2.312 10 0 DEAERO CO[C@@H]([C@H](C)[NH2+]Cc1cn(C)nc1Br)C1CC1 ZINC000712396067 792186004 /nfs/dbraw/zinc/18/60/04/792186004.db2.gz CIEQMILZCPDDFR-KWQFWETISA-N 1 0 302.216 2.086 10 0 DEAERO Cc1cccnc1CC[NH2+]Cc1cn(C)nc1Br ZINC000712416571 792187306 /nfs/dbraw/zinc/18/73/06/792187306.db2.gz CBCUUJSEIWLOON-UHFFFAOYSA-N 1 0 309.211 2.218 10 0 DEAERO Cn1cc(C[NH2+]C[C@@H](O)c2ccccc2)c(Br)n1 ZINC000712458804 792188610 /nfs/dbraw/zinc/18/86/10/792188610.db2.gz INBRMMGVYMTYEC-GFCCVEGCSA-N 1 0 310.195 2.006 10 0 DEAERO Cn1cc(C[NH2+]C[C@@H]2CCCSC2)c(Br)n1 ZINC000712471712 792190793 /nfs/dbraw/zinc/19/07/93/792190793.db2.gz WAUMZGDUTRWIIK-VIFPVBQESA-N 1 0 304.257 2.415 10 0 DEAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2cccc(Br)c2)C1 ZINC000713178630 792213669 /nfs/dbraw/zinc/21/36/69/792213669.db2.gz ZBPHGWXINQHCSI-ZKYQVNSYSA-N 1 0 309.207 2.193 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713792299 792245920 /nfs/dbraw/zinc/24/59/20/792245920.db2.gz IITNIFWIQBJISR-MWLCHTKSSA-N 1 0 313.195 2.060 10 0 DEAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713889475 792246597 /nfs/dbraw/zinc/24/65/97/792246597.db2.gz UTWVVLYNWWSDCN-XOKHGSTOSA-N 1 0 302.418 2.178 10 0 DEAERO CCC1([NH3+])CCN(S(=O)(=O)c2cc(F)ccc2C)CC1 ZINC000714750319 792335104 /nfs/dbraw/zinc/33/51/04/792335104.db2.gz RIAVKOFTWNDDOL-UHFFFAOYSA-N 1 0 300.399 2.026 10 0 DEAERO [NH3+]C[C@@H]1C[C@@H]1c1nc(Cc2cccc(Br)c2)no1 ZINC000714875611 792362975 /nfs/dbraw/zinc/36/29/75/792362975.db2.gz CJFLAUFABLSJTB-ONGXEEELSA-N 1 0 308.179 2.485 10 0 DEAERO Cc1nc(Cl)c(Cl)cc1C(=O)NC12CC[NH+](CC1)C2 ZINC000715585064 792479051 /nfs/dbraw/zinc/47/90/51/792479051.db2.gz KYCUKBDWRCTYEL-UHFFFAOYSA-N 1 0 300.189 2.275 10 0 DEAERO C[C@H]([NH2+]CC[C@H]1CCCS1)c1ccc(S(N)(=O)=O)cc1 ZINC000715628394 792481829 /nfs/dbraw/zinc/48/18/29/792481829.db2.gz ZIOLMRYPVLOOJN-WCQYABFASA-N 1 0 314.476 2.270 10 0 DEAERO C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(S(N)(=O)=O)cc1 ZINC000715628395 792482007 /nfs/dbraw/zinc/48/20/07/792482007.db2.gz ZIOLMRYPVLOOJN-YPMHNXCESA-N 1 0 314.476 2.270 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)c1cn(C)nn1 ZINC000715841121 792513782 /nfs/dbraw/zinc/51/37/82/792513782.db2.gz ZDNYACMKGLTBBU-AVGNSLFASA-N 1 0 323.441 2.111 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cn(C)nn1 ZINC000715850473 792525989 /nfs/dbraw/zinc/52/59/89/792525989.db2.gz AWYOEHLMSVAARF-QWHCGFSZSA-N 1 0 323.441 2.255 10 0 DEAERO CCCn1cc([C@@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC000715897153 792532399 /nfs/dbraw/zinc/53/23/99/792532399.db2.gz QFLOTDCQUPOGLL-GFCCVEGCSA-N 1 0 323.441 2.206 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[C@H]1CCCS1 ZINC000715989556 792560383 /nfs/dbraw/zinc/56/03/83/792560383.db2.gz BVISJKVZXNBBFA-NUEKZKHPSA-N 1 0 322.474 2.321 10 0 DEAERO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000716552093 792972583 /nfs/dbraw/zinc/97/25/83/792972583.db2.gz FEGPGXJOVWOQLC-SNVBAGLBSA-N 1 0 302.827 2.006 10 0 DEAERO CCCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716731557 793003964 /nfs/dbraw/zinc/00/39/64/793003964.db2.gz KYLZHTLPQMPQOF-BZSNNMDCSA-N 1 0 315.461 2.155 10 0 DEAERO C[C@@H]1CC[C@H]([NH2+]CC[C@@H](O)C(F)F)CN1C(=O)OC(C)(C)C ZINC000716752581 793004739 /nfs/dbraw/zinc/00/47/39/793004739.db2.gz MFNBOQVDCJWKCU-GRYCIOLGSA-N 1 0 322.396 2.380 10 0 DEAERO O=S(=O)(N[C@H]1CC[NH2+]C12CCCC2)c1ccc(Cl)cc1 ZINC000401427262 801827898 /nfs/dbraw/zinc/82/78/98/801827898.db2.gz NWZYVAGQVCKEKI-ZDUSSCGKSA-N 1 0 314.838 2.293 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401676303 801839154 /nfs/dbraw/zinc/83/91/54/801839154.db2.gz DMTNBAAUPHLTGY-UONOGXRCSA-N 1 0 322.453 2.198 10 0 DEAERO CCc1nnc(CN[C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)[nH]1 ZINC000401796586 801851913 /nfs/dbraw/zinc/85/19/13/801851913.db2.gz JVJYDGNNVVUKHK-VXGBXAGGSA-N 1 0 323.441 2.102 10 0 DEAERO C[C@@H](CCC1CC1)[NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000186305522 802040215 /nfs/dbraw/zinc/04/02/15/802040215.db2.gz LKGSULWTKZJRQB-KPZWWZAWSA-N 1 0 315.417 2.410 10 0 DEAERO O=C(Nc1ccc(Br)nc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407248711 802191956 /nfs/dbraw/zinc/19/19/56/802191956.db2.gz DFLFCHKCWAFKFA-GHMZBOCLSA-N 1 0 310.195 2.313 10 0 DEAERO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)nc1 ZINC000309928583 802214171 /nfs/dbraw/zinc/21/41/71/802214171.db2.gz WSGBIVJUQPXPNM-WPRPVWTQSA-N 1 0 305.241 2.046 10 0 DEAERO C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(C(=O)[O-])CC1 ZINC000691536164 976361998 /nfs/dbraw/zinc/36/19/98/976361998.db2.gz NVSOSHYOAYFHFQ-INIZCTEOSA-N 1 0 302.418 2.305 10 0 DEAERO CO[C@]1(C[NH2+]C2CCN(CC(F)(F)F)CC2)CCSC1 ZINC000719327698 1088954143 /nfs/dbraw/zinc/95/41/43/1088954143.db2.gz WNYOCXNALPWREH-LBPRGKRZSA-N 1 0 312.401 2.125 10 0 DEAERO CCOC(=O)CC[C@@H](O)C[NH2+]CC1CCC(SC)CC1 ZINC000720568254 1085548569 /nfs/dbraw/zinc/54/85/69/1085548569.db2.gz SLMCYBILSMGDJU-ROKHWSDSSA-N 1 0 303.468 2.202 10 0 DEAERO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2Br)CCO1 ZINC000720661160 1085821366 /nfs/dbraw/zinc/82/13/66/1085821366.db2.gz QZIZVPUMQPWEQO-NWDGAFQWSA-N 1 0 316.243 2.476 10 0 DEAERO Fc1ccc(Br)cc1CNC1=[NH+]CCCCN1 ZINC000700232861 1086312211 /nfs/dbraw/zinc/31/22/11/1086312211.db2.gz ACIBUUBVBTZDJG-UHFFFAOYSA-N 1 0 300.175 2.417 10 0 DEAERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000701381012 1086363246 /nfs/dbraw/zinc/36/32/46/1086363246.db2.gz IRWQWVIESZRVCN-LPHOPBHVSA-N 1 0 318.461 2.292 10 0 DEAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1cnn(C)c1 ZINC000701865946 1086389152 /nfs/dbraw/zinc/38/91/52/1086389152.db2.gz XVMGPRKEBDGJME-SFYCDEOASA-N 1 0 320.437 2.470 10 0 DEAERO CN1CCC([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC1 ZINC000701932766 1086394550 /nfs/dbraw/zinc/39/45/50/1086394550.db2.gz YCQGXWROQSDRPR-UHFFFAOYSA-N 1 0 309.454 2.070 10 0 DEAERO CCOCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702114002 1086404760 /nfs/dbraw/zinc/40/47/60/1086404760.db2.gz QQCWFHKIFUWPSL-FUHWJXTLSA-N 1 0 302.418 2.003 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc([C@H]2CCCOC2)no1 ZINC000702210919 1086414017 /nfs/dbraw/zinc/41/40/17/1086414017.db2.gz ZDBGVQSZFWPPHV-LSDHHAIUSA-N 1 0 316.405 2.095 10 0 DEAERO C[C@@H]1CN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC000702337421 1086424524 /nfs/dbraw/zinc/42/45/24/1086424524.db2.gz KWIGOOINYIPWAG-GOEBONIOSA-N 1 0 303.450 2.093 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3Br)C[C@]2(C)C1 ZINC000702391151 1086427252 /nfs/dbraw/zinc/42/72/52/1086427252.db2.gz YILFILAAIBQHGO-ABAIWWIYSA-N 1 0 323.234 2.473 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(c3ncc(Br)cc3F)C[C@]2(C)C1 ZINC000702397286 1086427429 /nfs/dbraw/zinc/42/74/29/1086427429.db2.gz VIHDYGJTVBOMBB-RNCFNFMXSA-N 1 0 314.202 2.371 10 0 DEAERO C[NH+](C)C[C@H](N)C(=O)Nc1ccccc1SC(F)(F)F ZINC000702418261 1086432112 /nfs/dbraw/zinc/43/21/12/1086432112.db2.gz XOPABALMLFQADL-QMMMGPOBSA-N 1 0 307.341 2.126 10 0 DEAERO COC[C@@H](C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000704490819 1086583576 /nfs/dbraw/zinc/58/35/76/1086583576.db2.gz UUCAXMMKTXUGJV-GDBMZVCRSA-N 1 0 306.406 2.270 10 0 DEAERO CC[C@@H]1[C@@H]([NH2+]Cc2cn(C)cn2)CCN1C(=O)OC(C)(C)C ZINC000704656772 1086585523 /nfs/dbraw/zinc/58/55/23/1086585523.db2.gz PJMKXUFGWVNEOK-UONOGXRCSA-N 1 0 308.426 2.298 10 0 DEAERO Cn1cc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCCCC2)nn1 ZINC000705568214 1086619300 /nfs/dbraw/zinc/61/93/00/1086619300.db2.gz LUOAFZRTDUXZRE-UHFFFAOYSA-N 1 0 323.441 2.132 10 0 DEAERO CN(CCOCC[NH2+]Cc1ccncc1)C(=O)OC(C)(C)C ZINC000705911326 1086628140 /nfs/dbraw/zinc/62/81/40/1086628140.db2.gz XIAQWWPWLUVFDH-UHFFFAOYSA-N 1 0 309.410 2.055 10 0 DEAERO CCN(C(=O)c1ccc(Br)nc1)[C@@H]1CC[N@H+](C)C1 ZINC000710566977 1086687562 /nfs/dbraw/zinc/68/75/62/1086687562.db2.gz XMRSDWQWUNFWFE-LLVKDONJSA-N 1 0 312.211 2.010 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CSCCS2)C1 ZINC000710874073 1086689859 /nfs/dbraw/zinc/68/98/59/1086689859.db2.gz IRDYUARHSJSBDZ-LBPRGKRZSA-N 1 0 318.508 2.292 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H](O)c2ccsc2)C1 ZINC000710876271 1086690444 /nfs/dbraw/zinc/69/04/44/1086690444.db2.gz QXTPHJKBDRGAIY-CYBMUJFWSA-N 1 0 312.435 2.238 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000710961087 1086692402 /nfs/dbraw/zinc/69/24/02/1086692402.db2.gz PADZWSBQCKMJCG-LLVKDONJSA-N 1 0 302.415 2.031 10 0 DEAERO COC1(OC)CC[C@@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000710968394 1086692497 /nfs/dbraw/zinc/69/24/97/1086692497.db2.gz SWRJQSGYDACMKW-IRXDYDNUSA-N 1 0 304.434 2.250 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000710972305 1086692707 /nfs/dbraw/zinc/69/27/07/1086692707.db2.gz XFNDFOUMGFLSQN-STQMWFEESA-N 1 0 316.442 2.421 10 0 DEAERO Cn1nc(Br)cc1C[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000711280889 1087045338 /nfs/dbraw/zinc/04/53/38/1087045338.db2.gz JRYLDAJYGBXWQU-NSHDSACASA-N 1 0 316.243 2.477 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000711310573 1087050844 /nfs/dbraw/zinc/05/08/44/1087050844.db2.gz CBCDMWHJUCJFTJ-KRWDZBQOSA-N 1 0 316.445 2.440 10 0 DEAERO CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)OC1 ZINC000711340448 1087068660 /nfs/dbraw/zinc/06/86/60/1087068660.db2.gz UIIFGPJEJURYPY-MJBXVCDLSA-N 1 0 303.468 2.137 10 0 DEAERO CCn1cc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC000711488907 1087133864 /nfs/dbraw/zinc/13/38/64/1087133864.db2.gz ANZNPNBDJUMFLY-XBXGTLAGSA-N 1 0 308.426 2.296 10 0 DEAERO COCCOCCC[NH2+]Cc1nc(C)c(Br)s1 ZINC000719222873 1088910399 /nfs/dbraw/zinc/91/03/99/1088910399.db2.gz ONWKWJCRLJUNBW-UHFFFAOYSA-N 1 0 323.256 2.357 10 0 DEAERO Cc1nc(CN2CC[C@H]([C@@H](C)[NH3+])C2)sc1Br ZINC000719253440 1088914068 /nfs/dbraw/zinc/91/40/68/1088914068.db2.gz OZVZZQDQTKKHNL-APPZFPTMSA-N 1 0 304.257 2.383 10 0 DEAERO Cc1nc(CN2CC[C@H]([NH3+])[C@H](C)C2)sc1Br ZINC000719250166 1088914553 /nfs/dbraw/zinc/91/45/53/1088914553.db2.gz FFCYYOIREZVKNN-APPZFPTMSA-N 1 0 304.257 2.383 10 0 DEAERO CO[C@]1(C[NH2+]CCCNC(=O)OC(C)(C)C)CCSC1 ZINC000719322748 1088953585 /nfs/dbraw/zinc/95/35/85/1088953585.db2.gz GSEINZYOUKCWMR-AWEZNQCLSA-N 1 0 304.456 2.013 10 0 DEAERO C[C@H]1[C@@H](NC(=O)c2csc(Br)c2)CC[N@@H+]1C ZINC000719387040 1089056042 /nfs/dbraw/zinc/05/60/42/1089056042.db2.gz WGPYBEXFNPIERV-CBAPKCEASA-N 1 0 303.225 2.333 10 0 DEAERO C[NH2+]CCCCc1nc(-c2ccc(Br)cn2)no1 ZINC000719698441 1089343275 /nfs/dbraw/zinc/34/32/75/1089343275.db2.gz AXDQYANHMYOVBT-UHFFFAOYSA-N 1 0 311.183 2.436 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(OC)c(CSCCS(C)(=O)=O)c1 ZINC000081769095 192322944 /nfs/dbraw/zinc/32/29/44/192322944.db2.gz MUXCLYKBFOFDOO-NSHDSACASA-N 1 0 317.476 2.253 10 0 DEAERO CC[NH2+][C@H](CSCC(=O)OC)c1cc(OC)ccc1OC ZINC000081793950 192323686 /nfs/dbraw/zinc/32/36/86/192323686.db2.gz GJTPMZIVUBLHCU-CYBMUJFWSA-N 1 0 313.419 2.261 10 0 DEAERO CCOC(=O)CSC[C@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000081794979 192324518 /nfs/dbraw/zinc/32/45/18/192324518.db2.gz PSXATTNOJSBAFI-ZDUSSCGKSA-N 1 0 313.419 2.261 10 0 DEAERO COC(=O)CCSC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081788893 192324606 /nfs/dbraw/zinc/32/46/06/192324606.db2.gz PVTROVGMLSHICY-GFCCVEGCSA-N 1 0 311.403 2.144 10 0 DEAERO Cc1ccc(OC[C@@H](O)C[N@H+](C)CCC(=O)OC(C)(C)C)cc1 ZINC000150871274 282107160 /nfs/dbraw/zinc/10/71/60/282107160.db2.gz SFCVEYIPTNBHGP-HNNXBMFYSA-N 1 0 323.433 2.398 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000278390460 214135897 /nfs/dbraw/zinc/13/58/97/214135897.db2.gz AHNLWYLDQKKSOL-AWEZNQCLSA-N 1 0 317.433 2.274 10 0 DEAERO CCCn1c(=O)[nH]nc1SC[C@H]([NH2+]C)c1ccccc1C ZINC000081879069 192332925 /nfs/dbraw/zinc/33/29/25/192332925.db2.gz WNZYUVCJCWGNNY-ZDUSSCGKSA-N 1 0 306.435 2.343 10 0 DEAERO CCC[NH2+][C@@H](CSc1n[nH]c(=O)n1CCC)C(C)(C)C ZINC000081879208 192333262 /nfs/dbraw/zinc/33/32/62/192333262.db2.gz SJYQDBAMPCTLCU-NSHDSACASA-N 1 0 300.472 2.488 10 0 DEAERO C[NH2+][C@H](CSc1n[nH]c(=O)n1C1CC1)c1ccc(C)cc1 ZINC000081880220 192334140 /nfs/dbraw/zinc/33/41/40/192334140.db2.gz NCUDBEVYQKCCNU-CYBMUJFWSA-N 1 0 304.419 2.268 10 0 DEAERO CCCn1c(=O)[nH]nc1S[C@H](C)[C@H]([NH2+]C)c1ccccc1 ZINC000081879315 192334158 /nfs/dbraw/zinc/33/41/58/192334158.db2.gz YIOWRYRHWVZRAE-YPMHNXCESA-N 1 0 306.435 2.423 10 0 DEAERO CCn1c(S[C@H](C(C)C)[C@@H]([NH3+])c2ccccc2)n[nH]c1=O ZINC000081882118 192334308 /nfs/dbraw/zinc/33/43/08/192334308.db2.gz BZPZUWDLWJQUCE-QWHCGFSZSA-N 1 0 306.435 2.408 10 0 DEAERO CCn1c(=O)[nH]nc1SC[C@@H]([NH2+]C)c1cc(C)ccc1C ZINC000081879839 192334709 /nfs/dbraw/zinc/33/47/09/192334709.db2.gz VBRKRUCKUVGDJA-CYBMUJFWSA-N 1 0 306.435 2.261 10 0 DEAERO [NH3+][C@H]1CCC2(C[C@H]1Sc1ncccc1Cl)OCCO2 ZINC000081896654 192335555 /nfs/dbraw/zinc/33/55/55/192335555.db2.gz CKPDHMQGTAYSOF-WDEREUQCSA-N 1 0 300.811 2.450 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000081921890 192338603 /nfs/dbraw/zinc/33/86/03/192338603.db2.gz YHSCOZLAEXEZIV-HZPDHXFCSA-N 1 0 311.447 2.234 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccn(C3CCCC3)n2)C1 ZINC000151473932 282117679 /nfs/dbraw/zinc/11/76/79/282117679.db2.gz VKGRQYZCBWYXKS-CQSZACIVSA-N 1 0 319.453 2.139 10 0 DEAERO CC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000081919961 192339168 /nfs/dbraw/zinc/33/91/68/192339168.db2.gz ORKXAXYGJMLHSC-CVEARBPZSA-N 1 0 311.447 2.351 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1 ZINC000278484459 214183913 /nfs/dbraw/zinc/18/39/13/214183913.db2.gz KLHIANJSXBRJKC-CQSZACIVSA-N 1 0 303.406 2.404 10 0 DEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccccc1F ZINC000081922857 192339741 /nfs/dbraw/zinc/33/97/41/192339741.db2.gz BPGLWWBYKFNAKZ-HOTGVXAUSA-N 1 0 305.374 2.485 10 0 DEAERO Cn1cc(CC[N@@H+]2C[C@H](c3ccccc3)OCC2(C)C)nn1 ZINC000625134628 365654563 /nfs/dbraw/zinc/65/45/63/365654563.db2.gz QXAVQRINIPRDLO-MRXNPFEDSA-N 1 0 300.406 2.210 10 0 DEAERO C[NH2+][C@H]1CCC[C@H]1S(=O)(=O)c1ccc(Br)cc1 ZINC000081933400 192340725 /nfs/dbraw/zinc/34/07/25/192340725.db2.gz CERPDEJWLOIVLO-NWDGAFQWSA-N 1 0 318.236 2.363 10 0 DEAERO CCCn1ncc(Br)c1[C@](C)(O)C[NH2+]C1CC1 ZINC000163510382 197634927 /nfs/dbraw/zinc/63/49/27/197634927.db2.gz VAXUIQRWHTUXHZ-GFCCVEGCSA-N 1 0 302.216 2.015 10 0 DEAERO CC(C)[NH2+]Cc1cccc(CS(=O)(=O)NC2CC(C)C2)c1 ZINC000164021677 197652337 /nfs/dbraw/zinc/65/23/37/197652337.db2.gz RMKPIDQQWWSLSU-UHFFFAOYSA-N 1 0 310.463 2.403 10 0 DEAERO O=S(=O)(CCC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000081933710 192341547 /nfs/dbraw/zinc/34/15/47/192341547.db2.gz CEJFVYMUEROCQC-UHFFFAOYSA-N 1 0 318.236 2.365 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000081935681 192342265 /nfs/dbraw/zinc/34/22/65/192342265.db2.gz UAMKHCUZNBUHNW-GFCCVEGCSA-N 1 0 307.337 2.477 10 0 DEAERO Cc1ncc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C(C)C)n1 ZINC000247565095 282141544 /nfs/dbraw/zinc/14/15/44/282141544.db2.gz ZXEJPKATRHPJLS-GXTWGEPZSA-N 1 0 304.438 2.463 10 0 DEAERO CC[C@H](C)S(=O)(=O)C[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081937325 192342952 /nfs/dbraw/zinc/34/29/52/192342952.db2.gz IJTVZBXTFSRSAC-AAEUAGOBSA-N 1 0 313.419 2.061 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000152424844 282144622 /nfs/dbraw/zinc/14/46/22/282144622.db2.gz DGBKUCGZXZQERV-DLBZAZTESA-N 1 0 324.513 2.090 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)CCC)c1ccc2c(c1)OCO2 ZINC000081940999 192344133 /nfs/dbraw/zinc/34/41/33/192344133.db2.gz BYFNIBKPLRBOTM-ZDUSSCGKSA-N 1 0 313.419 2.281 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)CCOC)c1ccc(C(C)(C)C)cc1 ZINC000081943409 192344547 /nfs/dbraw/zinc/34/45/47/192344547.db2.gz BDHFMOAAIQXDRQ-HNNXBMFYSA-N 1 0 313.463 2.306 10 0 DEAERO CC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081946434 192345300 /nfs/dbraw/zinc/34/53/00/192345300.db2.gz YIJANIVFGXWEOL-CHWSQXEVSA-N 1 0 321.801 2.020 10 0 DEAERO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000191947018 536604668 /nfs/dbraw/zinc/60/46/68/536604668.db2.gz SZKOMMWREGUCGK-CQSZACIVSA-N 1 0 301.390 2.422 10 0 DEAERO CCC(CC)CC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000150823436 282156216 /nfs/dbraw/zinc/15/62/16/282156216.db2.gz HNACHAGMBNFGNH-KRWDZBQOSA-N 1 0 309.498 2.441 10 0 DEAERO Cc1cccc(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)c1C ZINC000082314875 185175364 /nfs/dbraw/zinc/17/53/64/185175364.db2.gz NOFDBPIXTFEUNJ-KRWDZBQOSA-N 1 0 315.461 2.294 10 0 DEAERO C[C@H]([NH3+])C[C@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000082798601 185204941 /nfs/dbraw/zinc/20/49/41/185204941.db2.gz QZESRPRTWYBLJR-IUCAKERBSA-N 1 0 306.225 2.349 10 0 DEAERO Cc1cccc2[nH]cc(CC[NH2+]C3CCN(C(N)=O)CC3)c21 ZINC000165224193 197672392 /nfs/dbraw/zinc/67/23/92/197672392.db2.gz PONSMSGZMVGOSL-UHFFFAOYSA-N 1 0 300.406 2.152 10 0 DEAERO CCC[NH+](CCC)CCCNC(=O)Nc1ccc(=O)n(C)c1 ZINC000170823962 282180160 /nfs/dbraw/zinc/18/01/60/282180160.db2.gz XLEBXYMHOKWPLZ-UHFFFAOYSA-N 1 0 308.426 2.019 10 0 DEAERO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000333560681 282955361 /nfs/dbraw/zinc/95/53/61/282955361.db2.gz KWLPZUMQBYMECA-CABCVRRESA-N 1 0 316.401 2.155 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000072525955 282184363 /nfs/dbraw/zinc/18/43/63/282184363.db2.gz VPJGTZBWWXDDIC-PMPSAXMXSA-N 1 0 319.453 2.102 10 0 DEAERO [NH3+]C[C@@H](c1cccc(Br)c1)[C@@H](O)C1CCOCC1 ZINC000087379041 185223222 /nfs/dbraw/zinc/22/32/22/185223222.db2.gz FUBZDMDJFWUXDX-KBPBESRZSA-N 1 0 314.223 2.279 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N[C@@H](C[NH3+])C(C)C ZINC000087388029 185223245 /nfs/dbraw/zinc/22/32/45/185223245.db2.gz BLQWWQFMXBSZOJ-NSHDSACASA-N 1 0 316.243 2.374 10 0 DEAERO CCC[C@@H](C[NH3+])NC(=O)c1ccc(F)cc1Br ZINC000087387781 185223273 /nfs/dbraw/zinc/22/32/73/185223273.db2.gz ZFOFFPHHTNXVEU-VIFPVBQESA-N 1 0 303.175 2.445 10 0 DEAERO CCC[C@@H](C[NH3+])NC(=O)c1ccc(OC)c(Br)c1 ZINC000087387654 185223288 /nfs/dbraw/zinc/22/32/88/185223288.db2.gz YKIZCAVWIYQKDG-JTQLQIEISA-N 1 0 315.211 2.315 10 0 DEAERO CCOC(=O)Cc1nn(C[C@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC000087493502 185226625 /nfs/dbraw/zinc/22/66/25/185226625.db2.gz KTVMEMDWFSFQIH-AWEZNQCLSA-N 1 0 315.417 2.484 10 0 DEAERO Cc1c(N)cnc(NCCCC[NH+](C)C)c1Br ZINC000165525449 197677306 /nfs/dbraw/zinc/67/73/06/197677306.db2.gz SKWDNMPBFGBWQX-UHFFFAOYSA-N 1 0 301.232 2.488 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)NCc2sccc2Br)C1 ZINC000087575770 185228713 /nfs/dbraw/zinc/22/87/13/185228713.db2.gz HKJIOVIYCKSUFY-HTQZYQBOSA-N 1 0 301.209 2.030 10 0 DEAERO CC(C)([NH3+])C(C)(C)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000087628027 185229561 /nfs/dbraw/zinc/22/95/61/185229561.db2.gz WHLBOKMCLLHNIG-OLZOCXBDSA-N 1 0 314.495 2.263 10 0 DEAERO Cc1cc(NCc2ccc(Br)cc2)nc(NN)[nH+]1 ZINC000087884708 185234475 /nfs/dbraw/zinc/23/44/75/185234475.db2.gz GBCNACNUODGNQO-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO [NH3+]C[C@@]1(NCc2cccs2)CCN(Cc2ccccc2)C1 ZINC000087910211 185237486 /nfs/dbraw/zinc/23/74/86/185237486.db2.gz YMGAIXPFBVMMDP-KRWDZBQOSA-N 1 0 301.459 2.441 10 0 DEAERO COc1ccc(C[C@]2(C[NH3+])CCC[C@H]2O)cc1Br ZINC000087931854 185237576 /nfs/dbraw/zinc/23/75/76/185237576.db2.gz IUEKBQCTFDGMNW-KGLIPLIRSA-N 1 0 314.223 2.490 10 0 DEAERO Ic1cnn([C@@H]2CC[C@H]2C[NH2+]C2CC2)c1 ZINC000087923953 185237718 /nfs/dbraw/zinc/23/77/18/185237718.db2.gz BJHJUKMRJXPKHU-GZMMTYOYSA-N 1 0 317.174 2.191 10 0 DEAERO C[C@@H](C[NH3+])CS(=O)(=O)Cc1ccc(Br)s1 ZINC000088090309 185239569 /nfs/dbraw/zinc/23/95/69/185239569.db2.gz UMQWMPWBIMIVJJ-ZETCQYMHSA-N 1 0 312.254 2.020 10 0 DEAERO C[C@H](Cc1ccco1)Nc1nc(NN)[nH+]cc1Br ZINC000087865317 185233796 /nfs/dbraw/zinc/23/37/96/185233796.db2.gz USKMXISIBDADGC-SSDOTTSWSA-N 1 0 312.171 2.161 10 0 DEAERO NNc1nc(NCc2ccccc2Br)c(F)c[nH+]1 ZINC000087864118 185233905 /nfs/dbraw/zinc/23/39/05/185233905.db2.gz UKXPRGMPUIFCSO-UHFFFAOYSA-N 1 0 312.146 2.276 10 0 DEAERO C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000173509848 282191166 /nfs/dbraw/zinc/19/11/66/282191166.db2.gz CBNAZHHAXRIXBD-WCQYABFASA-N 1 0 311.376 2.414 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1COc1nc2c(cc1C(N)=S)CCC2 ZINC000088165697 185240762 /nfs/dbraw/zinc/24/07/62/185240762.db2.gz VJFHJCGQOJNUOA-GFCCVEGCSA-N 1 0 305.447 2.068 10 0 DEAERO CC1(C)CC(=O)N(c2ccc(C[NH3+])c(C(F)(F)F)c2)C1=O ZINC000088191308 185241340 /nfs/dbraw/zinc/24/13/40/185241340.db2.gz KNFSJUYZZDWOCP-UHFFFAOYSA-N 1 0 300.280 2.454 10 0 DEAERO C[NH2+][C@@H]1CCN(c2cc(Cl)ccc2Br)C1=O ZINC000088123204 185240186 /nfs/dbraw/zinc/24/01/86/185240186.db2.gz WYHXOTQVZKDTNY-SECBINFHSA-N 1 0 303.587 2.427 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)C2([NH3+])CC2)c(C(F)(F)F)c1 ZINC000088130912 185240488 /nfs/dbraw/zinc/24/04/88/185240488.db2.gz UZOCIULXVIHDGT-UHFFFAOYSA-N 1 0 301.268 2.094 10 0 DEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(OC)ccc1Br ZINC000088321407 185245476 /nfs/dbraw/zinc/24/54/76/185245476.db2.gz OSTKGUGFRKWOGK-UHFFFAOYSA-N 1 0 301.184 2.394 10 0 DEAERO [NH3+]C[C@@](O)(CN1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000088439774 185250621 /nfs/dbraw/zinc/25/06/21/185250621.db2.gz OLOGXUCWZRKQHW-UONOGXRCSA-N 1 0 302.340 2.107 10 0 DEAERO C[C@@]([NH3+])(C(=O)Nc1cnc(Br)cn1)c1ccccc1 ZINC000088446433 185251269 /nfs/dbraw/zinc/25/12/69/185251269.db2.gz ALLNPNRXDJPLHK-ZDUSSCGKSA-N 1 0 321.178 2.052 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]3C2)o1 ZINC000088543960 185256835 /nfs/dbraw/zinc/25/68/35/185256835.db2.gz ZBWPQAZDHAOEFL-CHWSQXEVSA-N 1 0 312.435 2.200 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2Cc3ccccc3C2)o1 ZINC000088544012 185256884 /nfs/dbraw/zinc/25/68/84/185256884.db2.gz FOEKKRFBLNZOJI-UHFFFAOYSA-N 1 0 306.387 2.094 10 0 DEAERO C[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000088516400 185254718 /nfs/dbraw/zinc/25/47/18/185254718.db2.gz LQHIZMVKICASBZ-CZUORRHYSA-N 1 0 310.463 2.435 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](CC)C(C)C)o1 ZINC000088542961 185256426 /nfs/dbraw/zinc/25/64/26/185256426.db2.gz CANMAWHFVVQUME-CYBMUJFWSA-N 1 0 302.440 2.492 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1S(=O)(=O)CCCOC ZINC000081985826 192349057 /nfs/dbraw/zinc/34/90/57/192349057.db2.gz DGGVSDUCEWDXIM-ZNMIVQPWSA-N 1 0 305.484 2.385 10 0 DEAERO CCn1ncnc1C[C@@H](Cc1ccccc1Br)[NH2+]C ZINC000088611951 185260043 /nfs/dbraw/zinc/26/00/43/185260043.db2.gz IBWJCQCJNLFIFJ-GFCCVEGCSA-N 1 0 323.238 2.434 10 0 DEAERO COCC[NH2+]CCc1nnc(-c2cc(F)c(F)c(F)c2)s1 ZINC000088824216 185266608 /nfs/dbraw/zinc/26/66/08/185266608.db2.gz NOTNCOKQENDMLJ-UHFFFAOYSA-N 1 0 317.336 2.401 10 0 DEAERO COc1ccc([C@@H]([NH3+])CS(=O)(=O)c2cccc(C)c2)cc1 ZINC000081986541 192349289 /nfs/dbraw/zinc/34/92/89/192349289.db2.gz ZRJXYKAJVLLNRS-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO C[NH2+][C@@H](c1ccccc1)[C@H](C(C)C)S(=O)(=O)CCCOC ZINC000081985742 192349569 /nfs/dbraw/zinc/34/95/69/192349569.db2.gz JPKPHCZEAQIEFK-HOTGVXAUSA-N 1 0 313.463 2.423 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)Cc1ccccc1C ZINC000081984804 192349970 /nfs/dbraw/zinc/34/99/70/192349970.db2.gz ADBNXIQZGXONDS-CVEARBPZSA-N 1 0 311.447 2.067 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1S(=O)(=O)C1CCCC1 ZINC000081988871 192350287 /nfs/dbraw/zinc/35/02/87/192350287.db2.gz NSTAIGHTQVRQGE-CVEARBPZSA-N 1 0 309.431 2.456 10 0 DEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000090272069 185288603 /nfs/dbraw/zinc/28/86/03/185288603.db2.gz RUAXJAQCQFDRNC-GOEBONIOSA-N 1 0 315.841 2.466 10 0 DEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@H](O)COCc1cccs1 ZINC000090272393 185288604 /nfs/dbraw/zinc/28/86/04/185288604.db2.gz QMWSMAIDRATXLO-DZGCQCFKSA-N 1 0 301.452 2.012 10 0 DEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000090272215 185288682 /nfs/dbraw/zinc/28/86/82/185288682.db2.gz FEVHHAXJNVWVOT-GOEBONIOSA-N 1 0 315.841 2.466 10 0 DEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@H](O)COC1CCC(C)CC1 ZINC000090272273 185288710 /nfs/dbraw/zinc/28/87/10/185288710.db2.gz RAIPXXOXTIPZHW-XGHPGWEVSA-N 1 0 301.471 2.329 10 0 DEAERO CCCN(CC(=O)N1CCC[C@H]1c1cccs1)C1C[NH2+]C1 ZINC000090293604 185289883 /nfs/dbraw/zinc/28/98/83/185289883.db2.gz RSGHMDWOSYJIHT-AWEZNQCLSA-N 1 0 307.463 2.095 10 0 DEAERO CC[C@H](C)c1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000090322174 185290887 /nfs/dbraw/zinc/29/08/87/185290887.db2.gz XESSHRJQIJJKJW-NWANDNLSSA-N 1 0 308.447 2.040 10 0 DEAERO Cc1ccc(Br)cc1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090320963 185291016 /nfs/dbraw/zinc/29/10/16/185291016.db2.gz VKJQJKJIPSQDAA-QWRGUYRKSA-N 1 0 309.207 2.049 10 0 DEAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000090514103 185300024 /nfs/dbraw/zinc/30/00/24/185300024.db2.gz XCAHMRSLWDSQFX-SQHYZVFZSA-N 1 0 311.447 2.483 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1COC[C@@H]1[NH2+]C ZINC000090434236 185296139 /nfs/dbraw/zinc/29/61/39/185296139.db2.gz OXBPVDPUTAQCON-YPMHNXCESA-N 1 0 312.797 2.302 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000090436281 185296228 /nfs/dbraw/zinc/29/62/28/185296228.db2.gz OKJBJMYJHIBZES-GZMMTYOYSA-N 1 0 306.259 2.017 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000090433702 185296277 /nfs/dbraw/zinc/29/62/77/185296277.db2.gz XIMDZKXHXLGCAQ-DGCLKSJQSA-N 1 0 312.797 2.300 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1CN(C)Cc1ccccc1Br ZINC000090438779 185296528 /nfs/dbraw/zinc/29/65/28/185296528.db2.gz HDSVWQMJSWERLD-TZMCWYRMSA-N 1 0 313.239 2.115 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1CN(C)Cc1csc(Br)c1 ZINC000090438869 185296689 /nfs/dbraw/zinc/29/66/89/185296689.db2.gz SKUHFFIWKCZFGR-WDEREUQCSA-N 1 0 319.268 2.177 10 0 DEAERO CCC[NH2+][C@H]1CCCCCC[C@H]1S(=O)(=O)CC(=O)OCC ZINC000082009982 192353719 /nfs/dbraw/zinc/35/37/19/192353719.db2.gz LKVQJWNCTJGNTF-UONOGXRCSA-N 1 0 319.467 2.055 10 0 DEAERO COCC[NH2+]CCC[S@@](=O)c1cccc(Br)c1 ZINC000082011757 192353738 /nfs/dbraw/zinc/35/37/38/192353738.db2.gz CYCLGBPDRGYLKZ-KRWDZBQOSA-N 1 0 320.252 2.183 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000333566035 282957604 /nfs/dbraw/zinc/95/76/04/282957604.db2.gz LYIAPAMORHXCCG-UIBBOPPKSA-N 1 0 305.397 2.369 10 0 DEAERO CCCOc1ccc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])cc1Cl ZINC000090590080 185305457 /nfs/dbraw/zinc/30/54/57/185305457.db2.gz GZGIEFHJYZSYQN-DZGCQCFKSA-N 1 0 312.797 2.431 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)COC[C@@H]1[NH3+] ZINC000090599236 185305790 /nfs/dbraw/zinc/30/57/90/185305790.db2.gz FRHSYZLNQRFVGS-GWCFXTLKSA-N 1 0 320.723 2.244 10 0 DEAERO C(C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)OC1CCOCC1 ZINC000625277651 365710361 /nfs/dbraw/zinc/71/03/61/365710361.db2.gz JPMJJUOXFSXPHU-CQSZACIVSA-N 1 0 320.437 2.057 10 0 DEAERO Cc1ccc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])cc1Br ZINC000090604357 185306205 /nfs/dbraw/zinc/30/62/05/185306205.db2.gz TZDPEWYBLHCDHA-WCQYABFASA-N 1 0 313.195 2.060 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000090541760 185301810 /nfs/dbraw/zinc/30/18/10/185301810.db2.gz CEMIICRNFBJHNB-CABCVRRESA-N 1 0 310.825 2.313 10 0 DEAERO C[C@@]1(c2nc(Cc3c(F)cccc3Cl)no2)COC[C@@H]1[NH3+] ZINC000090573783 185304318 /nfs/dbraw/zinc/30/43/18/185304318.db2.gz YVBGWNFJFVYUKN-SMDDNHRTSA-N 1 0 311.744 2.068 10 0 DEAERO Cc1cc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])ccc1Br ZINC000090580524 185304772 /nfs/dbraw/zinc/30/47/72/185304772.db2.gz BVDHVVBTSSHWMF-DGCLKSJQSA-N 1 0 313.195 2.060 10 0 DEAERO COc1cccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1F ZINC000090685632 185309633 /nfs/dbraw/zinc/30/96/33/185309633.db2.gz RGQZKNZDMLUWGR-OCCSQVGLSA-N 1 0 306.381 2.391 10 0 DEAERO COc1ccccc1C(=O)N1CCCSC[C@@H]1C[NH+](C)C ZINC000090699817 185310351 /nfs/dbraw/zinc/31/03/51/185310351.db2.gz YZWMKGMVFBCHKP-ZDUSSCGKSA-N 1 0 308.447 2.205 10 0 DEAERO CCCCS(=O)(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090701034 185310409 /nfs/dbraw/zinc/31/04/09/185310409.db2.gz LXRQPYFNKHLFAD-AWEZNQCLSA-N 1 0 320.524 2.020 10 0 DEAERO COc1ccc(NC(=O)CSCC2C[NH2+]C2)cc1Cl ZINC000090713288 185311041 /nfs/dbraw/zinc/31/10/41/185311041.db2.gz YHJZQXQFDYJJGC-UHFFFAOYSA-N 1 0 300.811 2.240 10 0 DEAERO COC(=O)c1c(NC(=O)C2(C[NH3+])CC2)sc2c1CCCC2 ZINC000167146281 197704871 /nfs/dbraw/zinc/70/48/71/197704871.db2.gz RYNQNDVTDAJXEE-UHFFFAOYSA-N 1 0 308.403 2.091 10 0 DEAERO CCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH2+]CC ZINC000092388650 185315194 /nfs/dbraw/zinc/31/51/94/185315194.db2.gz DRXFUXLGDNWOAE-HZPDHXFCSA-N 1 0 311.447 2.485 10 0 DEAERO CCC[NH2+]C[C@H](C)c1c(C)nn(CCS(=O)(=O)CC)c1C ZINC000092323552 185312298 /nfs/dbraw/zinc/31/22/98/185312298.db2.gz QNGVVVPEFMLURH-LBPRGKRZSA-N 1 0 315.483 2.038 10 0 DEAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCCOC(=O)NC(N)=O ZINC000183223821 282240529 /nfs/dbraw/zinc/24/05/29/282240529.db2.gz CDSZFCGXWRVXSJ-CQSZACIVSA-N 1 0 319.405 2.485 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1Cn1c(N)nc2cc(Br)cnc21 ZINC000092575089 185326839 /nfs/dbraw/zinc/32/68/39/185326839.db2.gz IBFAGXHRSHJSJK-SNVBAGLBSA-N 1 0 324.226 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(F)cc1C(N)=S ZINC000092629056 185330191 /nfs/dbraw/zinc/33/01/91/185330191.db2.gz CKXWNVAGRUCRDF-CQSZACIVSA-N 1 0 309.454 2.376 10 0 DEAERO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)ccc1F ZINC000092825427 185344237 /nfs/dbraw/zinc/34/42/37/185344237.db2.gz TUTZKGVDCUKMKV-JQWIXIFHSA-N 1 0 301.383 2.062 10 0 DEAERO [NH3+][C@H]1CCO[C@@H]1c1cc(Br)c2c(c1)OCCCO2 ZINC000092888674 185348043 /nfs/dbraw/zinc/34/80/43/185348043.db2.gz NXZTXESMFQLWPV-CMPLNLGQSA-N 1 0 314.179 2.399 10 0 DEAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1Sc1nnc(C)n1C ZINC000092911769 185348503 /nfs/dbraw/zinc/34/85/03/185348503.db2.gz UKEUKTBTKMRZCD-KBPBESRZSA-N 1 0 304.419 2.110 10 0 DEAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1Sc1nccc(=O)[nH]1 ZINC000092911617 185348528 /nfs/dbraw/zinc/34/85/28/185348528.db2.gz TYRFZJVETISXJW-JSGCOSHPSA-N 1 0 303.387 2.168 10 0 DEAERO CSCCN(C)S(=O)(=O)c1cc(C[NH2+]C(C)C)cs1 ZINC000168531031 197725045 /nfs/dbraw/zinc/72/50/45/197725045.db2.gz OCTNMKGZORZEFX-UHFFFAOYSA-N 1 0 322.521 2.230 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)OCc1ccccc1 ZINC000181459112 199299778 /nfs/dbraw/zinc/29/97/78/199299778.db2.gz GJYIOXNTROLQFM-DOTOQJQBSA-N 1 0 302.418 2.288 10 0 DEAERO C[C@H]1C[NH+](C(C)(C)CNC(=O)Cc2ccccc2)C[C@H](C)O1 ZINC000021055187 539330511 /nfs/dbraw/zinc/33/05/11/539330511.db2.gz GQPZJPSDPJGYDJ-GJZGRUSLSA-N 1 0 304.434 2.233 10 0 DEAERO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@@H]1CCCO1 ZINC000035735571 539333889 /nfs/dbraw/zinc/33/38/89/539333889.db2.gz IWUBRRBQJFYGRU-ZANVPECISA-N 1 0 307.781 2.234 10 0 DEAERO NC(=O)c1c(Br)cccc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000169054590 197732557 /nfs/dbraw/zinc/73/25/57/197732557.db2.gz XEKSNJSFNKRLMZ-UWVGGRQHSA-N 1 0 312.211 2.230 10 0 DEAERO COc1ccc(Cl)cc1C[C@H]([NH3+])C[C@@H]1CCS(=O)(=O)C1 ZINC000097057952 185404792 /nfs/dbraw/zinc/40/47/92/185404792.db2.gz RYPSNCISOPQHLB-GXFFZTMASA-N 1 0 317.838 2.043 10 0 DEAERO CC(C)n1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000191623984 282330839 /nfs/dbraw/zinc/33/08/39/282330839.db2.gz GVIWLDCEVNJRMO-UHFFFAOYSA-N 1 0 304.438 2.412 10 0 DEAERO COCCN1CCC[N@@H+]([C@@H](C)CCc2cccc(F)c2)CC1=O ZINC000191704197 282334295 /nfs/dbraw/zinc/33/42/95/282334295.db2.gz YJTABABGRICTGL-HNNXBMFYSA-N 1 0 322.424 2.328 10 0 DEAERO C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)c2ccon2)CC1 ZINC000328636628 530005259 /nfs/dbraw/zinc/00/52/59/530005259.db2.gz ODVUCNUIHIIFKR-HNNXBMFYSA-N 1 0 314.389 2.196 10 0 DEAERO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000292830196 530059885 /nfs/dbraw/zinc/05/98/85/530059885.db2.gz ALAGTVUCJXLSTD-GOSISDBHSA-N 1 0 311.433 2.185 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)c(F)c1 ZINC000195316787 530063650 /nfs/dbraw/zinc/06/36/50/530063650.db2.gz ZCFRARIHAORQBN-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193818915 282358199 /nfs/dbraw/zinc/35/81/99/282358199.db2.gz XBJKCJPREMYKKK-RYQLBKOJSA-N 1 0 316.445 2.440 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCCO1 ZINC000183199134 199554256 /nfs/dbraw/zinc/55/42/56/199554256.db2.gz RDTRABYAUZHVBX-HEHGZKQESA-N 1 0 304.390 2.065 10 0 DEAERO O[C@@H](C[NH2+]CC1CC(O)C1)COc1c(Cl)cccc1Cl ZINC000091525675 539419778 /nfs/dbraw/zinc/41/97/78/539419778.db2.gz RVWMOXSKJBUYAX-ILDUYXDCSA-N 1 0 320.216 2.094 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2[C@H](C)CCC[C@H]2C)[C@@H](C)C1 ZINC000245428437 282387172 /nfs/dbraw/zinc/38/71/72/282387172.db2.gz MOEAAKFUJFAJCX-HZMVEIRTSA-N 1 0 309.498 2.438 10 0 DEAERO CN(Cc1ccc(F)cc1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243894 185562106 /nfs/dbraw/zinc/56/21/06/185562106.db2.gz BHAIWHQYVHSCFP-ZDUSSCGKSA-N 1 0 304.287 2.326 10 0 DEAERO CCS(=O)(=O)NCCC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000127599294 539482358 /nfs/dbraw/zinc/48/23/58/539482358.db2.gz WFXVXWVIPPQLIZ-LBPRGKRZSA-N 1 0 302.415 2.114 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)NCCc1ccc(Br)s1 ZINC000127938937 539484531 /nfs/dbraw/zinc/48/45/31/539484531.db2.gz OLKNJYLXACPSLU-SECBINFHSA-N 1 0 317.252 2.169 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1nnc(N(C)C)s1)C(F)(F)F ZINC000111315267 185580421 /nfs/dbraw/zinc/58/04/21/185580421.db2.gz BPEYGZGKCZKHNR-NTSWFWBYSA-N 1 0 300.375 2.364 10 0 DEAERO CC[C@@H]([NH3+])Cc1c(N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12 ZINC000111487407 185608618 /nfs/dbraw/zinc/60/86/18/185608618.db2.gz VKSIADQCZMWPKO-GRYCIOLGSA-N 1 0 308.451 2.289 10 0 DEAERO C[C@H]([NH3+])Cc1c(N(C)Cc2ccccn2)nc2sccn21 ZINC000111493709 185609285 /nfs/dbraw/zinc/60/92/85/185609285.db2.gz QSEBWSIHMLUERT-NSHDSACASA-N 1 0 301.419 2.317 10 0 DEAERO CC(C)CCS(=O)(=O)N(CCC[NH3+])c1ccccc1F ZINC000111656845 185621876 /nfs/dbraw/zinc/62/18/76/185621876.db2.gz MNYCONYRNUMHDB-UHFFFAOYSA-N 1 0 302.415 2.357 10 0 DEAERO CCC[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccccc1F ZINC000111720536 185631477 /nfs/dbraw/zinc/63/14/77/185631477.db2.gz WNQLIZZWWVDGHD-CYBMUJFWSA-N 1 0 314.426 2.369 10 0 DEAERO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000615794709 362704639 /nfs/dbraw/zinc/70/46/39/362704639.db2.gz PCOMMJZSQACRJX-GHMZBOCLSA-N 1 0 311.344 2.211 10 0 DEAERO C[C@H](C[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)Cc1ccccc1 ZINC000248607544 282517912 /nfs/dbraw/zinc/51/79/12/282517912.db2.gz WSLDKIDYLKZCEZ-UAGQMJEPSA-N 1 0 304.434 2.091 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2cccnn2)C1 ZINC000616619294 362898001 /nfs/dbraw/zinc/89/80/01/362898001.db2.gz FEOZPAYPFRGQEB-CYBMUJFWSA-N 1 0 306.410 2.181 10 0 DEAERO [NH3+]C[C@@H](n1cc(Br)cn1)C(F)(F)C(F)(F)F ZINC000616571241 362893332 /nfs/dbraw/zinc/89/33/32/362893332.db2.gz WKRMIUISCMUAOA-RXMQYKEDSA-N 1 0 308.048 2.343 10 0 DEAERO CC(C)[NH2+]C[C@@H](O)C[S@](=O)c1c(Cl)cccc1Cl ZINC000126988522 185910464 /nfs/dbraw/zinc/91/04/64/185910464.db2.gz UAAIXALKENDSMA-DYBLOJMWSA-N 1 0 310.246 2.460 10 0 DEAERO CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@H]1CC[NH3+] ZINC000616685874 362909490 /nfs/dbraw/zinc/90/94/90/362909490.db2.gz XWCMEWYHUSWJJQ-CYBMUJFWSA-N 1 0 320.437 2.161 10 0 DEAERO COCc1cc(N2CC[NH2+]CC2)nc(-c2cccc(Cl)c2)n1 ZINC000070451660 190894765 /nfs/dbraw/zinc/89/47/65/190894765.db2.gz UYRAUDGOFBEOHF-UHFFFAOYSA-N 1 0 318.808 2.353 10 0 DEAERO CCc1nn(C)cc1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000180285098 539644961 /nfs/dbraw/zinc/64/49/61/539644961.db2.gz JVSQKCQBRPQDBB-QGZVFWFLSA-N 1 0 301.390 2.262 10 0 DEAERO Clc1ccc(-c2cc3c(N4CC[NH2+]CC4)nccn3n2)cc1 ZINC000070459144 190897785 /nfs/dbraw/zinc/89/77/85/190897785.db2.gz QIIZDUOFFBDRHL-UHFFFAOYSA-N 1 0 313.792 2.459 10 0 DEAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(Cl)cn1 ZINC000180835812 539647641 /nfs/dbraw/zinc/64/76/41/539647641.db2.gz BIDXEVCQROXPNU-AWEZNQCLSA-N 1 0 310.829 2.217 10 0 DEAERO CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)CC1 ZINC000181347088 539650906 /nfs/dbraw/zinc/65/09/06/539650906.db2.gz OMLQWGLJYLYHIN-GJZGRUSLSA-N 1 0 321.440 2.337 10 0 DEAERO C[C@H]([NH3+])c1cccc(S(=O)(=O)N[C@@H](C)c2nccs2)c1 ZINC000080343697 192150609 /nfs/dbraw/zinc/15/06/09/192150609.db2.gz CAUSGIGIURQSAH-UWVGGRQHSA-N 1 0 311.432 2.202 10 0 DEAERO COc1cc(OC)c(CN[C@@H](C)c2nccn2C)c(OC)c1 ZINC000182500208 539657147 /nfs/dbraw/zinc/65/71/47/539657147.db2.gz ZXEBCXIAXPDVEF-NSHDSACASA-N 1 0 305.378 2.297 10 0 DEAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000183219320 539660174 /nfs/dbraw/zinc/66/01/74/539660174.db2.gz RAJQEXCRNIXSFD-QAPCUYQASA-N 1 0 316.445 2.273 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccs3)C2=O)n(C)n1 ZINC000080526746 192165198 /nfs/dbraw/zinc/16/51/98/192165198.db2.gz RAIVRYDMLHKMSK-ZDUSSCGKSA-N 1 0 304.419 2.075 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccsc3)C2=O)n(C)n1 ZINC000080526946 192165206 /nfs/dbraw/zinc/16/52/06/192165206.db2.gz KJCICPXYXXWODC-CYBMUJFWSA-N 1 0 304.419 2.075 10 0 DEAERO [NH3+]Cc1cc(F)ccc1-n1cc(I)cn1 ZINC000070677060 190910206 /nfs/dbraw/zinc/91/02/06/190910206.db2.gz QECVSVPZOUSIIN-UHFFFAOYSA-N 1 0 317.105 2.075 10 0 DEAERO [NH3+]Cc1coc(-c2ccc(I)cc2)n1 ZINC000083682515 192378401 /nfs/dbraw/zinc/37/84/01/192378401.db2.gz FXHCBJHWAVXGKB-UHFFFAOYSA-N 1 0 300.099 2.405 10 0 DEAERO Cc1ccc(CN(C(=O)C[NH+]2[C@H](C)CC(O)C[C@H]2C)C2CC2)o1 ZINC000191137345 539699105 /nfs/dbraw/zinc/69/91/05/539699105.db2.gz ZQTFNXYGAZTWFT-CHWSQXEVSA-N 1 0 320.433 2.313 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Br)s1)[C@@H]1COCCO1 ZINC000083743249 192380172 /nfs/dbraw/zinc/38/01/72/192380172.db2.gz FPXVAKIJBDAZNG-ZJUUUORDSA-N 1 0 306.225 2.057 10 0 DEAERO CCC1CCC(NS(=O)(=O)CCC(C)C)(C(N)=[NH2+])CC1 ZINC000083761845 192381365 /nfs/dbraw/zinc/38/13/65/192381365.db2.gz MYWFCXHFFKCLQY-UHFFFAOYSA-N 1 0 303.472 2.227 10 0 DEAERO Cc1ccc(C)c([S@](=O)[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1 ZINC000083999253 192395175 /nfs/dbraw/zinc/39/51/75/192395175.db2.gz PSEPHBVTRFKSNE-XLDJFRKUSA-N 1 0 309.431 2.034 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CCC1=O ZINC000084062150 192399487 /nfs/dbraw/zinc/39/94/87/192399487.db2.gz UXQTWIOUNVBKSF-NSHDSACASA-N 1 0 302.296 2.296 10 0 DEAERO C[NH2+][C@H](Cc1ncnn1C)c1ccc(Br)s1 ZINC000083974297 192392827 /nfs/dbraw/zinc/39/28/27/192392827.db2.gz SDIBEMJWJOWICI-SSDOTTSWSA-N 1 0 301.213 2.142 10 0 DEAERO CC[NH2+][C@H]1CCCN(S(=O)(=O)C[C@@H](C)c2ccccc2)C1 ZINC000133358086 185976774 /nfs/dbraw/zinc/97/67/74/185976774.db2.gz CQNPPMXYXKVHQU-ZBFHGGJFSA-N 1 0 310.463 2.194 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)c(O)c1 ZINC000236214669 539737671 /nfs/dbraw/zinc/73/76/71/539737671.db2.gz JALAFDKSDYXMEP-GXSJLCMTSA-N 1 0 313.195 2.012 10 0 DEAERO C[NH2+]C1(C)CCN(CC(=O)NCc2ccccc2Cl)CC1 ZINC000133440485 185984480 /nfs/dbraw/zinc/98/44/80/185984480.db2.gz IPLHUHVLTZNWGL-UHFFFAOYSA-N 1 0 309.841 2.030 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000170863462 197840058 /nfs/dbraw/zinc/84/00/58/197840058.db2.gz LZKPYCXWNUAMSG-ZDUSSCGKSA-N 1 0 300.324 2.410 10 0 DEAERO [NH3+]C[C@H]1c2cc(OCc3ccccc3)ccc2CN1CCCO ZINC000071684834 191008073 /nfs/dbraw/zinc/00/80/73/191008073.db2.gz YEWWIQDPFKIVKQ-IBGZPJMESA-N 1 0 312.413 2.463 10 0 DEAERO C[C@@H]([NH3+])c1nc(CC(=O)N2CCc3ccccc3C2)cs1 ZINC000071695421 191008124 /nfs/dbraw/zinc/00/81/24/191008124.db2.gz BRNUNASKWYVJDR-LLVKDONJSA-N 1 0 301.415 2.290 10 0 DEAERO O=C(Cc1ccc(O)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000133696286 186007451 /nfs/dbraw/zinc/00/74/51/186007451.db2.gz IISUEGYLKFIKJR-INIZCTEOSA-N 1 0 302.418 2.412 10 0 DEAERO CC1CCC([NH3+])(c2nc3c(cccc3S(C)(=O)=O)[nH]2)CC1 ZINC000138133095 186014641 /nfs/dbraw/zinc/01/46/41/186014641.db2.gz AKJJRWNMYYWJFD-UHFFFAOYSA-N 1 0 307.419 2.331 10 0 DEAERO CC(C)(C)NS(=O)(=O)c1cc(C[NH2+]C2CC2)cc(F)c1F ZINC000138603233 186017650 /nfs/dbraw/zinc/01/76/50/186017650.db2.gz ACBHYXVWUDZWAO-UHFFFAOYSA-N 1 0 318.389 2.294 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CCCC2(C)C)c1 ZINC000139038144 186019683 /nfs/dbraw/zinc/01/96/83/186019683.db2.gz UMKWTOXNGZPTHN-UHFFFAOYSA-N 1 0 318.389 2.247 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000246510307 539764687 /nfs/dbraw/zinc/76/46/87/539764687.db2.gz QLEKGZYJACWPBA-RBSFLKMASA-N 1 0 304.438 2.413 10 0 DEAERO C[C@@H]1CCC[C@@]([NH3+])(c2nc3c(cccc3S(C)(=O)=O)[nH]2)C1 ZINC000138156901 186014285 /nfs/dbraw/zinc/01/42/85/186014285.db2.gz QMZYXUVYRIGUIP-BMIGLBTASA-N 1 0 307.419 2.331 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)s1 ZINC000139177598 186020512 /nfs/dbraw/zinc/02/05/12/186020512.db2.gz XFYUCZQCBSNGSU-QMMMGPOBSA-N 1 0 303.225 2.335 10 0 DEAERO CC(C)[C@H]([NH3+])Cc1nc(-c2ccc(Br)cn2)no1 ZINC000139786135 186023988 /nfs/dbraw/zinc/02/39/88/186023988.db2.gz KQGGSOFXDQNXJG-SECBINFHSA-N 1 0 311.183 2.420 10 0 DEAERO CC(C)[C@@H]1N[C@@H](c2ccsc2)N(C[C@@H]2CC[N@H+](C)C2)C1=O ZINC000142205790 186031658 /nfs/dbraw/zinc/03/16/58/186031658.db2.gz KMLBPNGJMIMYMQ-VHDGCEQUSA-N 1 0 307.463 2.155 10 0 DEAERO C[C@H]1C[N@H+](Cc2cccc3cnccc32)C[C@H]1N1CCOCC1 ZINC000248386442 539773270 /nfs/dbraw/zinc/77/32/70/539773270.db2.gz MPZQLQFGTZALJK-HNAYVOBHSA-N 1 0 311.429 2.387 10 0 DEAERO CCCN(C(C)C)[C@@]1(C[NH3+])CCS(=O)(=O)c2ccccc21 ZINC000147640812 186040755 /nfs/dbraw/zinc/04/07/55/186040755.db2.gz RRCMUWJXJRQFND-MRXNPFEDSA-N 1 0 310.463 2.138 10 0 DEAERO CC[NH2+][C@H](c1cncs1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000147684847 186041584 /nfs/dbraw/zinc/04/15/84/186041584.db2.gz FUTORUNVHWNQSQ-MDZLAQPJSA-N 1 0 302.465 2.397 10 0 DEAERO C[NH2+][C@H](C)c1ccc(N2CCN(c3nccs3)CC2)cn1 ZINC000148141671 186043193 /nfs/dbraw/zinc/04/31/93/186043193.db2.gz KXRVVTSAPBSHQS-GFCCVEGCSA-N 1 0 303.435 2.145 10 0 DEAERO C[N@@H+]1CCC[C@H](CN2C(=O)C3(CC3)N[C@H]2c2cccs2)C1 ZINC000144250169 186034867 /nfs/dbraw/zinc/03/48/67/186034867.db2.gz RCIKQPDPMDUNPY-GXTWGEPZSA-N 1 0 305.447 2.053 10 0 DEAERO Cc1ccc([C@@H]2N[C@@H](C)C(=O)N2C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000144210312 186035256 /nfs/dbraw/zinc/03/52/56/186035256.db2.gz ZKWNESKGACEZGO-GZBFAFLISA-N 1 0 307.463 2.217 10 0 DEAERO Cc1ccc([C@@H]2N[C@@H](C)C(=O)N2[C@@H](C[NH+](C)C)C(C)C)s1 ZINC000145031497 186036638 /nfs/dbraw/zinc/03/66/38/186036638.db2.gz GVGDOLRPTAFQIN-KCQAQPDRSA-N 1 0 309.479 2.462 10 0 DEAERO CCCNc1nc(Cl)nc(N2CC[NH+]([C@@H](C)CC)CC2)n1 ZINC000149149586 186047609 /nfs/dbraw/zinc/04/76/09/186047609.db2.gz IPTQTUGQRRRQAD-NSHDSACASA-N 1 0 312.849 2.267 10 0 DEAERO CC[NH2+]CCc1c(C)nn(Cc2cn3ccsc3n2)c1C ZINC000149442481 186050468 /nfs/dbraw/zinc/05/04/68/186050468.db2.gz IMRCXBUTBMEECC-UHFFFAOYSA-N 1 0 303.435 2.409 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000149862196 186053008 /nfs/dbraw/zinc/05/30/08/186053008.db2.gz QDKPONIDUCCYQF-QMMMGPOBSA-N 1 0 300.305 2.065 10 0 DEAERO CCCNc1nc(Cl)nc(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000149936226 186053509 /nfs/dbraw/zinc/05/35/09/186053509.db2.gz UBVQWRWQBJGREM-LLVKDONJSA-N 1 0 310.833 2.021 10 0 DEAERO C[NH2+][C@H](Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000150048930 186053974 /nfs/dbraw/zinc/05/39/74/186053974.db2.gz VBAWCGXWLQXAKV-WCQYABFASA-N 1 0 321.364 2.271 10 0 DEAERO C[NH2+][C@H](Cc1csc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000150051074 186054219 /nfs/dbraw/zinc/05/42/19/186054219.db2.gz LAHJZASNCBMUEH-BXUZGUMPSA-N 1 0 309.456 2.467 10 0 DEAERO CC[NH2+][C@@H](c1ccc2cccnc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000150123873 186054645 /nfs/dbraw/zinc/05/46/45/186054645.db2.gz LTWLFHXRGGNUNS-ZBFHGGJFSA-N 1 0 304.415 2.320 10 0 DEAERO CCC[NH2+][C@@H]1CCCc2nc([C@H]3CCS(=O)(=O)C3)sc21 ZINC000150258239 186055978 /nfs/dbraw/zinc/05/59/78/186055978.db2.gz CYDLNXBLKFDMJS-WDEREUQCSA-N 1 0 314.476 2.422 10 0 DEAERO CC(C)C(=O)Nc1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000333840158 282979414 /nfs/dbraw/zinc/97/94/14/282979414.db2.gz OCBYJCASSJZUGO-UHFFFAOYSA-N 1 0 315.417 2.249 10 0 DEAERO Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3CCC(=O)N[C@@H]3C)cc12 ZINC000287142583 219340014 /nfs/dbraw/zinc/34/00/14/219340014.db2.gz SIDVWRWAPDUCAD-JFGNBEQYSA-N 1 0 306.435 2.261 10 0 DEAERO COc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(OC)c1 ZINC000155824616 186115737 /nfs/dbraw/zinc/11/57/37/186115737.db2.gz JZXSSNUQUJDGGR-WFASDCNBSA-N 1 0 306.406 2.162 10 0 DEAERO CN(CCC[NH3+])c1ncc(Br)cc1Br ZINC000163987717 186145094 /nfs/dbraw/zinc/14/50/94/186145094.db2.gz SHTQGXGGTWVIKT-UHFFFAOYSA-N 1 0 323.032 2.392 10 0 DEAERO CCn1ncc(Br)c1C(=O)c1ccc(C[NH3+])cc1 ZINC000164068853 186147962 /nfs/dbraw/zinc/14/79/62/186147962.db2.gz ZPRSISVPWRGAIN-UHFFFAOYSA-N 1 0 308.179 2.355 10 0 DEAERO [NH3+]Cc1ccccc1NC(=O)CC[S@@](=O)c1ccccc1 ZINC000155906286 186121979 /nfs/dbraw/zinc/12/19/79/186121979.db2.gz DBWLQLDDKNQAFM-NRFANRHFSA-N 1 0 302.399 2.282 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1C[NH3+])[S@](=O)c1ccccc1 ZINC000155908186 186122436 /nfs/dbraw/zinc/12/24/36/186122436.db2.gz QCAWBIDARBZNTF-XUSGNXJCSA-N 1 0 302.399 2.280 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1ccc(Br)cc1 ZINC000159569808 186127701 /nfs/dbraw/zinc/12/77/01/186127701.db2.gz WCSMOBVQXGMJBL-NSHDSACASA-N 1 0 301.184 2.142 10 0 DEAERO C[C@@H](C(=O)N[C@@H](C)c1ccccc1Br)C1C[NH2+]C1 ZINC000163951423 186143301 /nfs/dbraw/zinc/14/33/01/186143301.db2.gz MPTHCUQEJVPAEW-ZJUUUORDSA-N 1 0 311.223 2.482 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccccc2Br)C1 ZINC000171508450 186170280 /nfs/dbraw/zinc/17/02/80/186170280.db2.gz MNOPJNOSLVGJDA-GFCCVEGCSA-N 1 0 311.223 2.154 10 0 DEAERO CC(C(=O)N(C)Cc1ccc(Br)cc1)=C1C[NH2+]C1 ZINC000164149062 186150885 /nfs/dbraw/zinc/15/08/85/186150885.db2.gz DZPWILQPYFVDSO-UHFFFAOYSA-N 1 0 309.207 2.327 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccco2)cc1OC ZINC000173309402 186175374 /nfs/dbraw/zinc/17/53/74/186175374.db2.gz IWMYISOBYCOWLJ-LBPRGKRZSA-N 1 0 318.373 2.264 10 0 DEAERO Cc1ccc([C@H](CO)N2CCC[NH2+]CC2)c(Br)c1 ZINC000164256304 186153820 /nfs/dbraw/zinc/15/38/20/186153820.db2.gz JKMSNWAXNKUGCC-AWEZNQCLSA-N 1 0 313.239 2.086 10 0 DEAERO COCCN1C(=[NH2+])NC[C@@H]1c1ccc(C)cc1Br ZINC000164364491 186157341 /nfs/dbraw/zinc/15/73/41/186157341.db2.gz HUYNXLDNXIKCFG-GFCCVEGCSA-N 1 0 312.211 2.075 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2[C@H](C)C[C@H]1Sc1n[nH]c(=O)n1C ZINC000164365924 186157474 /nfs/dbraw/zinc/15/74/74/186157474.db2.gz QCLMPJCIPJEBCS-OASPWFOLSA-N 1 0 304.419 2.037 10 0 DEAERO CCCc1cc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)n(C)n1 ZINC000179693261 186206133 /nfs/dbraw/zinc/20/61/33/186206133.db2.gz PKCAMXYJEZUTAU-AWEZNQCLSA-N 1 0 307.442 2.321 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2ccc(F)cc2F)C1 ZINC000188017642 186244679 /nfs/dbraw/zinc/24/46/79/186244679.db2.gz JEQCQSPTPOPOAP-MEDUHNTESA-N 1 0 312.360 2.386 10 0 DEAERO CCSCc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)no1 ZINC000186041310 186234675 /nfs/dbraw/zinc/23/46/75/186234675.db2.gz MBADHQUAKGPNEK-VXGBXAGGSA-N 1 0 311.451 2.482 10 0 DEAERO Cc1ccc(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)cc1Br ZINC000626038815 366017168 /nfs/dbraw/zinc/01/71/68/366017168.db2.gz DIEPMASRIRFOLV-TXEJJXNPSA-N 1 0 311.223 2.453 10 0 DEAERO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901210 198003671 /nfs/dbraw/zinc/00/36/71/198003671.db2.gz HOVGJAWRFSTUOY-OAGGEKHMSA-N 1 0 309.454 2.071 10 0 DEAERO CCn1c(C)nnc1CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000172011289 198025430 /nfs/dbraw/zinc/02/54/30/198025430.db2.gz RBNDVKUDWKSXSG-UHFFFAOYSA-N 1 0 305.470 2.303 10 0 DEAERO O=C(NCCc1cc2ccccc2o1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172495798 198105981 /nfs/dbraw/zinc/10/59/81/198105981.db2.gz LYJXXMNRLGEIDX-OAHLLOKOSA-N 1 0 313.401 2.465 10 0 DEAERO C[C@H]1CSCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000172559255 198115050 /nfs/dbraw/zinc/11/50/50/198115050.db2.gz ZOFUZSKOKOWVDJ-GOEBONIOSA-N 1 0 321.490 2.306 10 0 DEAERO CC(C)[C@@H](O)CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000172597115 198121066 /nfs/dbraw/zinc/12/10/66/198121066.db2.gz AHVLVOHRWIGKPD-KRWDZBQOSA-N 1 0 319.449 2.099 10 0 DEAERO Cc1cc(C)cc(CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000172644076 198130844 /nfs/dbraw/zinc/13/08/44/198130844.db2.gz RCFLYNCKCOFXKL-KRWDZBQOSA-N 1 0 301.434 2.336 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cccn3Cc3ccccc3)C[C@H]12 ZINC000309751937 539879118 /nfs/dbraw/zinc/87/91/18/539879118.db2.gz ZRKWZKNMNNHMPH-IXDOHACOSA-N 1 0 309.413 2.346 10 0 DEAERO CN(C(=O)c1cnc(-c2ccncc2)s1)[C@@H]1CCC[N@H+](C)C1 ZINC000172754118 198145876 /nfs/dbraw/zinc/14/58/76/198145876.db2.gz PKKOMFXNHWRERH-CYBMUJFWSA-N 1 0 316.430 2.371 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccc(F)c(F)c1 ZINC000172805378 198152098 /nfs/dbraw/zinc/15/20/98/198152098.db2.gz KWMYHSOBFWJOAX-CYBMUJFWSA-N 1 0 309.360 2.073 10 0 DEAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCCC(=O)NC(N)=O)o1 ZINC000172871090 198160161 /nfs/dbraw/zinc/16/01/61/198160161.db2.gz XCTZXZHHBGRAOK-CYBMUJFWSA-N 1 0 307.394 2.344 10 0 DEAERO C[C@@H](c1nc([C@@H]2CN3CCC[C@H]3CO2)no1)c1cccnc1 ZINC000329739984 539929213 /nfs/dbraw/zinc/92/92/13/539929213.db2.gz VEILKWUXDFZUCI-XBFCOCLRSA-N 1 0 300.362 2.152 10 0 DEAERO C[C@H](C(=O)NCCCC[NH+]1CCOCC1)c1cccc(F)c1 ZINC000173109988 198185591 /nfs/dbraw/zinc/18/55/91/198185591.db2.gz SCTOTKBSZNJSDE-AWEZNQCLSA-N 1 0 308.397 2.158 10 0 DEAERO O=C(NCc1ccccc1Cl)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173226924 198198022 /nfs/dbraw/zinc/19/80/22/198198022.db2.gz OVUVDBDLMZSVAM-AWEZNQCLSA-N 1 0 305.809 2.496 10 0 DEAERO O=C(Nc1nc[nH]n1)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000333054292 539947037 /nfs/dbraw/zinc/94/70/37/539947037.db2.gz LXXDZELTNNBDOD-PBHICJAKSA-N 1 0 311.389 2.046 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333612326 539964867 /nfs/dbraw/zinc/96/48/67/539964867.db2.gz QRKGWKBHMFMMTI-OAHLLOKOSA-N 1 0 308.813 2.020 10 0 DEAERO Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333657980 539967740 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CC[C@@H](CO)[NH+]1CCN(CCCc2cccc(OC)c2)CC1 ZINC000174132310 198295292 /nfs/dbraw/zinc/29/52/92/198295292.db2.gz OXFKBOOKXRQHIU-KRWDZBQOSA-N 1 0 306.450 2.016 10 0 DEAERO COc1cc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)ccc1C ZINC000174269170 198312653 /nfs/dbraw/zinc/31/26/53/198312653.db2.gz PSJYSLUDNDJYFM-INIZCTEOSA-N 1 0 315.417 2.159 10 0 DEAERO CC[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000174642515 198363527 /nfs/dbraw/zinc/36/35/27/198363527.db2.gz ILTDCONLQCBQDQ-NVXWUHKLSA-N 1 0 318.461 2.268 10 0 DEAERO C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc(F)c1 ZINC000174832874 198391648 /nfs/dbraw/zinc/39/16/48/198391648.db2.gz QTYHFPNCQPCOEI-DOMZBBRYSA-N 1 0 306.381 2.245 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000333232564 282925291 /nfs/dbraw/zinc/92/52/91/282925291.db2.gz CIGPSTMZOSPTSK-RABLLNBGSA-N 1 0 308.809 2.142 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000333534225 282943916 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CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2c2ccncc2)C1 ZINC000062652237 354636992 /nfs/dbraw/zinc/63/69/92/354636992.db2.gz XVOPTNGZAKRZRH-HOTGVXAUSA-N 1 0 302.422 2.412 10 0 DEAERO CCCNC(=O)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000065255721 354681091 /nfs/dbraw/zinc/68/10/91/354681091.db2.gz OOZYXKOFOYKKRC-QGZVFWFLSA-N 1 0 324.428 2.372 10 0 DEAERO CC1CCC(Oc2cc(CNC3=[NH+]CCCN3)ccn2)CC1 ZINC000073279773 354951913 /nfs/dbraw/zinc/95/19/13/354951913.db2.gz QMDKWOPTUVBZRJ-UHFFFAOYSA-N 1 0 302.422 2.478 10 0 DEAERO CC(C)C(=O)Nc1ccc(CNC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000236816106 202023649 /nfs/dbraw/zinc/02/36/49/202023649.db2.gz LQDRZBZWEUXIPQ-HUUCEWRRSA-N 1 0 303.406 2.025 10 0 DEAERO COC(C)(C)C[C@@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000073722365 191346267 /nfs/dbraw/zinc/34/62/67/191346267.db2.gz ZIBUHHXAMDBZRA-KGLIPLIRSA-N 1 0 301.475 2.466 10 0 DEAERO CCCCc1noc([C@H](C)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000363387592 283092703 /nfs/dbraw/zinc/09/27/03/283092703.db2.gz HOZIYGBZBWHTQB-SOUVJXGZSA-N 1 0 322.453 2.004 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089930755 355548365 /nfs/dbraw/zinc/54/83/65/355548365.db2.gz ZYHGCCHTMRFKSZ-NVXWUHKLSA-N 1 0 304.434 2.128 10 0 DEAERO CC1(C)CC(NC(=O)NC[C@@H]2CCCC[C@@H]2O)CC(C)(C)[NH2+]1 ZINC000077751194 191768355 /nfs/dbraw/zinc/76/83/55/191768355.db2.gz BOLKCZGRBCBGAG-JSGCOSHPSA-N 1 0 311.470 2.146 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC000117796715 355778631 /nfs/dbraw/zinc/77/86/31/355778631.db2.gz GLFUBRKGYUXASX-GJZGRUSLSA-N 1 0 302.418 2.401 10 0 DEAERO CC(C)Oc1ccccc1CN1CC[C@H](CO)[C@H]([NH+](C)C)C1 ZINC000169751058 355979727 /nfs/dbraw/zinc/97/97/27/355979727.db2.gz JLCPZHVWXFOQQO-IAGOWNOFSA-N 1 0 306.450 2.218 10 0 DEAERO COC[C@H]1C[N@H+](C)CC12CCN(C(=O)NC1CCCCC1)CC2 ZINC000169782636 355983152 /nfs/dbraw/zinc/98/31/52/355983152.db2.gz OFLCXJXSFNSXOB-OAHLLOKOSA-N 1 0 323.481 2.319 10 0 DEAERO CCC(CC)[N@@H+]1CC[C@H](CO)[C@H](NC(=O)c2ccccc2)C1 ZINC000169786489 355983488 /nfs/dbraw/zinc/98/34/88/355983488.db2.gz YMHHLXNENHMZIB-NVXWUHKLSA-N 1 0 304.434 2.288 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1SC ZINC000170809283 355994035 /nfs/dbraw/zinc/99/40/35/355994035.db2.gz IYAQZXALXUPPKE-ZDUSSCGKSA-N 1 0 308.447 2.249 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000156762919 355953678 /nfs/dbraw/zinc/95/36/78/355953678.db2.gz UWZXDRYJKDQFKL-SWLSCSKDSA-N 1 0 324.469 2.498 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C2CCCC2)C1 ZINC000172191560 356004438 /nfs/dbraw/zinc/00/44/38/356004438.db2.gz JNTLNQZGYCXTDT-GOEBONIOSA-N 1 0 311.470 2.221 10 0 DEAERO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000179948411 356037230 /nfs/dbraw/zinc/03/72/30/356037230.db2.gz IREAILPCEYIMAP-WDEREUQCSA-N 1 0 303.399 2.166 10 0 DEAERO CC(C)C[C@H](CNC(=O)[C@H](C)Oc1cccc(CO)c1)[NH+](C)C ZINC000180389796 356049027 /nfs/dbraw/zinc/04/90/27/356049027.db2.gz QRIFYCKKMUXVMZ-GOEBONIOSA-N 1 0 322.449 2.039 10 0 DEAERO CCC[NH2+][C@@H](C)c1ccc(S[C@H](C)C(=O)NC(N)=O)cc1 ZINC000079582867 191953168 /nfs/dbraw/zinc/95/31/68/191953168.db2.gz MROPQBGUKFMAFX-WDEREUQCSA-N 1 0 309.435 2.423 10 0 DEAERO NC(=O)C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)C1CCCCC1 ZINC000182004183 356105150 /nfs/dbraw/zinc/10/51/50/356105150.db2.gz YJWJYTFVPCDCIO-CYBMUJFWSA-N 1 0 318.377 2.244 10 0 DEAERO O=C(N[C@H]1CCCOCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000181740344 356093821 /nfs/dbraw/zinc/09/38/21/356093821.db2.gz LGTRDIOKYHIGPK-JKSUJKDBSA-N 1 0 309.454 2.215 10 0 DEAERO CC(C)(C)OC(=O)CCCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000181851019 356098590 /nfs/dbraw/zinc/09/85/90/356098590.db2.gz QWTXOJWKHPZORW-HNNXBMFYSA-N 1 0 323.437 2.096 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(C)CCC[NH+](C)C)c1 ZINC000181938345 356101649 /nfs/dbraw/zinc/10/16/49/356101649.db2.gz FAFQRXLBAFUPLD-BBRMVZONSA-N 1 0 317.433 2.305 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000181969641 356102580 /nfs/dbraw/zinc/10/25/80/356102580.db2.gz AECWHODNZYSEIZ-UHFFFAOYSA-N 1 0 304.369 2.240 10 0 DEAERO c1cn(CCC[NH+]2CCN(c3nc4ccccc4o3)CC2)cn1 ZINC000182753709 356143381 /nfs/dbraw/zinc/14/33/81/356143381.db2.gz ISUABPQSWXDOEC-UHFFFAOYSA-N 1 0 311.389 2.237 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@H](C)CO ZINC000228724035 356281030 /nfs/dbraw/zinc/28/10/30/356281030.db2.gz BBGQJMHMMBKAOG-CKYFFXLPSA-N 1 0 322.232 2.340 10 0 DEAERO COc1ccc2c3c1O[C@H]1[C@@H](OC)C=C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000005599926 181262237 /nfs/dbraw/zinc/26/22/37/181262237.db2.gz HGPQAWTZLJXCTC-SSTWWWIQSA-N 1 0 313.397 2.155 10 0 biogenic,in-vitro DEAERO CC(C)(C)OC(=O)N1CCCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000226093353 356278061 /nfs/dbraw/zinc/27/80/61/356278061.db2.gz QORVYMUFFVFZEQ-HNNXBMFYSA-N 1 0 309.454 2.023 10 0 DEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(Br)c2)C1 ZINC000231292060 356284448 /nfs/dbraw/zinc/28/44/48/356284448.db2.gz IRMSQAWXSCDXOH-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO [NH3+]Cc1nccc(I)c1OC(F)(F)F ZINC000238611090 356304262 /nfs/dbraw/zinc/30/42/62/356304262.db2.gz GQFULVVQFLHJLG-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)C1 ZINC000080915121 192201833 /nfs/dbraw/zinc/20/18/33/192201833.db2.gz CBSNSEAGIMGTKE-PSLIRLAXSA-N 1 0 309.797 2.285 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 ZINC000257353029 356338810 /nfs/dbraw/zinc/33/88/10/356338810.db2.gz OXHGQIQVJJYKQL-CTYIDZIISA-N 1 0 313.405 2.030 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N[C@](C)(C[NH3+])C2CC2)c1 ZINC000262641663 356343156 /nfs/dbraw/zinc/34/31/56/356343156.db2.gz SDMHDCCIOIJFRH-PZDGAKPMSA-N 1 0 315.417 2.138 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000080996398 192210973 /nfs/dbraw/zinc/21/09/73/192210973.db2.gz JJODEVOJJPYOJL-GFCCVEGCSA-N 1 0 310.360 2.336 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400751010 283158490 /nfs/dbraw/zinc/15/84/90/283158490.db2.gz VOWRUHUAVDOZOK-BYNSBNAKSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400751019 283158617 /nfs/dbraw/zinc/15/86/17/283158617.db2.gz VOWRUHUAVDOZOK-ZQDZILKHSA-N 1 0 312.454 2.383 10 0 DEAERO CC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400323182 283155839 /nfs/dbraw/zinc/15/58/39/283155839.db2.gz ANKWGAHOVAZYBG-MGPQQGTHSA-N 1 0 300.443 2.383 10 0 DEAERO COC[C@H]1CCN([C@@H](C[NH3+])c2ccc(Br)s2)C1 ZINC000081041421 192219789 /nfs/dbraw/zinc/21/97/89/192219789.db2.gz YPFIUCLKXLQXGG-UWVGGRQHSA-N 1 0 319.268 2.479 10 0 DEAERO Ic1cnc([C@H]2[NH2+]C[C@H]2C2CC2)s1 ZINC000306898457 356406073 /nfs/dbraw/zinc/40/60/73/356406073.db2.gz XHFWMAOOCMLTFN-XPUUQOCRSA-N 1 0 306.172 2.418 10 0 DEAERO CNC(=O)[C@@H](C)C[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000081524502 192282169 /nfs/dbraw/zinc/28/21/69/192282169.db2.gz CQFOLOGVKZGPNS-NSHDSACASA-N 1 0 305.353 2.295 10 0 DEAERO [NH3+]C[C@H](c1cc(Cl)cc(Cl)c1)N1CCn2cnnc2C1 ZINC000081532993 192284449 /nfs/dbraw/zinc/28/44/49/192284449.db2.gz PJMBTTFSPBQACI-GFCCVEGCSA-N 1 0 312.204 2.101 10 0 DEAERO CCOC(=O)CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000081544640 192288048 /nfs/dbraw/zinc/28/80/48/192288048.db2.gz COGWPUUCOXAXDG-LBPRGKRZSA-N 1 0 313.419 2.084 10 0 DEAERO C[C@@H]1CN(Cc2ncc(Br)s2)C[C@@]1(C)C[NH3+] ZINC000415058671 283179750 /nfs/dbraw/zinc/17/97/50/283179750.db2.gz WHCPILQOGHNWRT-LDYMZIIASA-N 1 0 304.257 2.322 10 0 DEAERO CCCOc1ccc(OCC(=O)N2CCC([NH2+]C)CC2)cc1 ZINC000236855638 202039550 /nfs/dbraw/zinc/03/95/50/202039550.db2.gz VITWYVOBWPSCLU-UHFFFAOYSA-N 1 0 306.406 2.065 10 0 DEAERO CCCNC(=O)c1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000236888818 202054238 /nfs/dbraw/zinc/05/42/38/202054238.db2.gz USFTYPVGMCEBDJ-JSGCOSHPSA-N 1 0 303.406 2.282 10 0 DEAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@H](C)CCOC)c1 ZINC000081717783 192316072 /nfs/dbraw/zinc/31/60/72/192316072.db2.gz GTHWBSLHFVSPNL-CHWSQXEVSA-N 1 0 314.451 2.060 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(OCc2nc(C)no2)cc1 ZINC000236910685 202066251 /nfs/dbraw/zinc/06/62/51/202066251.db2.gz KNSPRKIGQBDRTP-ZUZCIYMTSA-N 1 0 318.377 2.269 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N(C)[C@@H](C)C[NH3+])cc1 ZINC000236937102 202080072 /nfs/dbraw/zinc/08/00/72/202080072.db2.gz YBRBNACJZSHQCW-ZDUSSCGKSA-N 1 0 306.406 2.244 10 0 DEAERO CCC[NH2+][C@H](Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000086026157 192545425 /nfs/dbraw/zinc/54/54/25/192545425.db2.gz SCZDINKXJIBTNA-GOEBONIOSA-N 1 0 311.447 2.041 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)s1 ZINC000382359820 356674986 /nfs/dbraw/zinc/67/49/86/356674986.db2.gz JATODLPFPIIYQA-LBPRGKRZSA-N 1 0 302.465 2.128 10 0 DEAERO COC[C@@](C)(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000382537734 356676364 /nfs/dbraw/zinc/67/63/64/356676364.db2.gz CCICONHFMQQHSO-LBPRGKRZSA-N 1 0 306.175 2.075 10 0 DEAERO [NH3+][C@H](Cc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000086566225 192581788 /nfs/dbraw/zinc/58/17/88/192581788.db2.gz CJRHVQWAYICEDD-PRHODGIISA-N 1 0 308.230 2.298 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000086671894 192588049 /nfs/dbraw/zinc/58/80/49/192588049.db2.gz ZVBLPHGTHYYSGK-CABCVRRESA-N 1 0 303.468 2.281 10 0 DEAERO c1cn([C@H]2CCC[N@@H+](CCOCCOc3ccccc3)C2)nn1 ZINC000425497230 283208996 /nfs/dbraw/zinc/20/89/96/283208996.db2.gz CDZFEYOIMIGMCJ-INIZCTEOSA-N 1 0 316.405 2.011 10 0 DEAERO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3ccccc3)C[C@H]2C1 ZINC000192507002 283209409 /nfs/dbraw/zinc/20/94/09/283209409.db2.gz NVYDBOMPKLRCSE-XDNAFOTISA-N 1 0 314.429 2.174 10 0 DEAERO COCCn1ccc2ccc(NC(=O)C3CC[NH2+]CC3)cc21 ZINC000237138495 202164650 /nfs/dbraw/zinc/16/46/50/202164650.db2.gz SJMQCPGBUQZTKW-UHFFFAOYSA-N 1 0 301.390 2.226 10 0 DEAERO c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]CCCN1CCC1 ZINC000578247192 356787007 /nfs/dbraw/zinc/78/70/07/356787007.db2.gz NZMFJKBJLJHLAX-SFHVURJKSA-N 1 0 304.434 2.430 10 0 DEAERO c1cnn(-c2cccc(C[N@@H+]3CC[C@H](Nc4ncccn4)C3)c2)c1 ZINC000578771038 356870972 /nfs/dbraw/zinc/87/09/72/356870972.db2.gz HRYMXCOMVNJELY-INIZCTEOSA-N 1 0 320.400 2.349 10 0 DEAERO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000086880565 192601886 /nfs/dbraw/zinc/60/18/86/192601886.db2.gz YVDLNAYWYOJCNR-ZIAGYGMSSA-N 1 0 302.484 2.359 10 0 DEAERO CC[C@H](C)[C@@H]1C[NH2+][C@H](C(C)C)CN1CCCS(=O)(=O)CC ZINC000086982232 192607165 /nfs/dbraw/zinc/60/71/65/192607165.db2.gz GYJVNCYTTVMORQ-JYJNAYRXSA-N 1 0 318.527 2.156 10 0 DEAERO CC[C@H](C)CN(C)S(=O)(=O)c1ccc(CC[NH2+]C)s1 ZINC000088953757 192667511 /nfs/dbraw/zinc/66/75/11/192667511.db2.gz ACLMGZMJIFFNBS-NSHDSACASA-N 1 0 304.481 2.177 10 0 DEAERO C[NH2+]Cc1cccc(CS(=O)(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000088926637 192659718 /nfs/dbraw/zinc/65/97/18/192659718.db2.gz ICUHIUFOPVUECA-OKILXGFUSA-N 1 0 310.463 2.499 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)c2ccc(CCC[NH3+])cc2)C1 ZINC000088965285 192673258 /nfs/dbraw/zinc/67/32/58/192673258.db2.gz JQJBAONBAYQRGW-AWEZNQCLSA-N 1 0 310.463 2.389 10 0 DEAERO COCC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(C)ccc2F)C1 ZINC000592328291 357862171 /nfs/dbraw/zinc/86/21/71/357862171.db2.gz LAYRTYYYJJQNMA-CYBMUJFWSA-N 1 0 309.385 2.366 10 0 DEAERO CCCn1nc(C)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1C ZINC000179464481 199040681 /nfs/dbraw/zinc/04/06/81/199040681.db2.gz UUOPTQSRPSHJSV-OAHLLOKOSA-N 1 0 302.426 2.339 10 0 DEAERO CN(c1cccnn1)C1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179498950 199045745 /nfs/dbraw/zinc/04/57/45/199045745.db2.gz OQNBFVRRLMPRIH-UHFFFAOYSA-N 1 0 322.416 2.225 10 0 DEAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCCc2sccc2C1 ZINC000593439708 358079187 /nfs/dbraw/zinc/07/91/87/358079187.db2.gz BLZHSROVTVDHDV-GJZGRUSLSA-N 1 0 311.447 2.053 10 0 DEAERO CCC[C@@H](C)C[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000180132792 199120922 /nfs/dbraw/zinc/12/09/22/199120922.db2.gz BZQNBZRZJUJSDW-MSOLQXFVSA-N 1 0 320.477 2.480 10 0 DEAERO CC(C)CSCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180205153 199130749 /nfs/dbraw/zinc/13/07/49/199130749.db2.gz UDEXZVQOZZTJLI-LBPRGKRZSA-N 1 0 316.492 2.374 10 0 DEAERO c1cc(-c2noc(CN3CC[C@H]([NH+]4CCCCC4)C3)n2)co1 ZINC000594024881 358192544 /nfs/dbraw/zinc/19/25/44/358192544.db2.gz UCNLEBLUBTVHCA-AWEZNQCLSA-N 1 0 302.378 2.390 10 0 DEAERO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1OCC ZINC000180493754 199166154 /nfs/dbraw/zinc/16/61/54/199166154.db2.gz RIFUFQQIICTPPL-GDBMZVCRSA-N 1 0 322.449 2.465 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncn(-c2ccccc2)n1 ZINC000180841338 199217057 /nfs/dbraw/zinc/21/70/57/199217057.db2.gz UOWXYDJFMXIWBM-DOTOQJQBSA-N 1 0 311.433 2.326 10 0 DEAERO C[C@H]1Cn2c(=O)[nH]c3ccc(N(C)C)c(c32)C[N@@H+]1CC1CC1 ZINC000005930157 181296995 /nfs/dbraw/zinc/29/69/95/181296995.db2.gz RUBAFHGANLAKEX-NSHDSACASA-N 1 0 300.406 2.010 10 0 DEAERO C[C@H](CNC(=O)N(C)[C@H](C)c1cnn(C)c1)[NH+]1CCC(C)CC1 ZINC000180791036 199209827 /nfs/dbraw/zinc/20/98/27/199209827.db2.gz HQUNUAGKNYZUBH-HUUCEWRRSA-N 1 0 321.469 2.243 10 0 DEAERO CCOCc1cccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000181195905 199263587 /nfs/dbraw/zinc/26/35/87/199263587.db2.gz OUBKCFQGHPZFBJ-MRXNPFEDSA-N 1 0 321.421 2.017 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc3ncsc3c2)CCO1 ZINC000181166954 199258990 /nfs/dbraw/zinc/25/89/90/199258990.db2.gz KBXDPMNUULCOBX-LBPRGKRZSA-N 1 0 320.418 2.091 10 0 DEAERO CCCC[C@H](C)NS(=O)(=O)N1CCC(C[NH2+]C(C)C)CC1 ZINC000089022493 192703991 /nfs/dbraw/zinc/70/39/91/192703991.db2.gz YKZBMDYRMXCQBF-AWEZNQCLSA-N 1 0 319.515 2.110 10 0 DEAERO Cc1sc(C[NH3+])cc1S(=O)(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000089050824 192721659 /nfs/dbraw/zinc/72/16/59/192721659.db2.gz POZFKGUQEOFIGB-UWVGGRQHSA-N 1 0 302.465 2.324 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Br)c(C)nn1C)[C@@H](C)OCC ZINC000089251820 192750970 /nfs/dbraw/zinc/75/09/70/192750970.db2.gz HLOCZHINGXFTKN-MNOVXSKESA-N 1 0 318.259 2.437 10 0 DEAERO COc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)ccc1OC(F)F ZINC000186688108 199991787 /nfs/dbraw/zinc/99/17/87/199991787.db2.gz DQUSBFCWRJDNHX-GXSJLCMTSA-N 1 0 314.332 2.024 10 0 DEAERO CCOc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)c1O ZINC000186787332 200009856 /nfs/dbraw/zinc/00/98/56/200009856.db2.gz DDBFZKNUVAIITR-LBPRGKRZSA-N 1 0 324.808 2.365 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000186833657 200018807 /nfs/dbraw/zinc/01/88/07/200018807.db2.gz ICGNIURTWZAOSH-XJKSGUPXSA-N 1 0 304.434 2.477 10 0 DEAERO COc1ccc(O)cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000186909730 200029560 /nfs/dbraw/zinc/02/95/60/200029560.db2.gz VSUNMSKVKCNKQY-UHFFFAOYSA-N 1 0 318.417 2.349 10 0 DEAERO [NH3+]CCn1cc(-c2nc3cc(Cl)ccc3n2C2CC2)nn1 ZINC000089695962 192845010 /nfs/dbraw/zinc/84/50/10/192845010.db2.gz GWCSWMNVUJPZGI-UHFFFAOYSA-N 1 0 302.769 2.242 10 0 DEAERO C[C@H]1CN(C(=O)c2cccc(Br)c2)C[C@H]1[NH+](C)C ZINC000089710237 192848087 /nfs/dbraw/zinc/84/80/87/192848087.db2.gz NLRMQUCOWWOYDK-GXFFZTMASA-N 1 0 311.223 2.471 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000187041447 200051623 /nfs/dbraw/zinc/05/16/23/200051623.db2.gz PZFHNCQVQMUXEX-MAUKXSAKSA-N 1 0 321.465 2.314 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000187692698 200145767 /nfs/dbraw/zinc/14/57/67/200145767.db2.gz HRNCDNFPHDEPRX-MRXNPFEDSA-N 1 0 303.406 2.179 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)Cc2ccccc2F)C1 ZINC000187944539 200180998 /nfs/dbraw/zinc/18/09/98/200180998.db2.gz ZHLOKLIWMJAHFJ-KBXCAEBGSA-N 1 0 322.424 2.267 10 0 DEAERO COc1ccc(O)cc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000188255648 200217258 /nfs/dbraw/zinc/21/72/58/200217258.db2.gz JTYZAXNAJBTQHG-KBPBESRZSA-N 1 0 320.433 2.499 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)c2nc3c(cccc3F)o2)CC1 ZINC000515541872 283488604 /nfs/dbraw/zinc/48/86/04/283488604.db2.gz GTAXCJAQECMCBH-LBPRGKRZSA-N 1 0 321.396 2.496 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(Br)n2)C1 ZINC000188584867 200270811 /nfs/dbraw/zinc/27/08/11/200270811.db2.gz BRWIZHQZXDMXFX-SECBINFHSA-N 1 0 313.199 2.012 10 0 DEAERO C[N@H+](CCC(=O)N1CCc2ccccc2C1)C[C@H]1CCCO1 ZINC000188969499 200328593 /nfs/dbraw/zinc/32/85/93/200328593.db2.gz PGXIHLJOLDZOHB-QGZVFWFLSA-N 1 0 302.418 2.072 10 0 DEAERO C[C@@H](C(=O)NCc1cn2c(n1)CCCC2)[NH+]1CCCCCC1 ZINC000603819759 360861803 /nfs/dbraw/zinc/86/18/03/360861803.db2.gz VEEAVLBSUZHKMU-AWEZNQCLSA-N 1 0 304.438 2.100 10 0 DEAERO Cc1ccc([C@H]2CCC[N@@H+]2CCn2nc3ccccn3c2=O)o1 ZINC000604760515 360931249 /nfs/dbraw/zinc/93/12/49/360931249.db2.gz MUPVKULXYPXHOZ-CQSZACIVSA-N 1 0 312.373 2.235 10 0 DEAERO Cc1ccc(NCc2cocn2)cc1NC(=O)CC[NH+](C)C ZINC000192344633 200857355 /nfs/dbraw/zinc/85/73/55/200857355.db2.gz YRFFFROVHUMISU-UHFFFAOYSA-N 1 0 302.378 2.485 10 0 DEAERO CCc1cnc(CCNC(=O)[C@@](C)([NH3+])c2ccccc2)s1 ZINC000192538528 200897134 /nfs/dbraw/zinc/89/71/34/200897134.db2.gz LUBZKZQKBNSALN-INIZCTEOSA-N 1 0 303.431 2.238 10 0 DEAERO Cn1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000607538317 361094901 /nfs/dbraw/zinc/09/49/01/361094901.db2.gz PDJGMXTVTHPEHN-DOMZBBRYSA-N 1 0 318.446 2.295 10 0 DEAERO CC(C)[N@H+](C)CC(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000608206556 361184440 /nfs/dbraw/zinc/18/44/40/361184440.db2.gz YEFDHELIYRISDR-INIZCTEOSA-N 1 0 314.433 2.160 10 0 DEAERO COc1ccccc1CN(C[C@H]1CCCO1)C(=O)CC[C@@H](C)[NH3+] ZINC000193201022 201005900 /nfs/dbraw/zinc/00/59/00/201005900.db2.gz VCBSLEAPUIBBCM-GDBMZVCRSA-N 1 0 320.433 2.330 10 0 DEAERO COC(=O)C(C)(C)[C@@H](NC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000610824718 361472076 /nfs/dbraw/zinc/47/20/76/361472076.db2.gz LDVKFWWOTOWQAC-INIZCTEOSA-N 1 0 320.433 2.383 10 0 DEAERO COC(=O)C(C)(C)[C@@H]([NH2+]C[C@@H](O)COC(C)C)c1ccccc1 ZINC000611406868 361593268 /nfs/dbraw/zinc/59/32/68/361593268.db2.gz ZCRNODXUMDRGQQ-CVEARBPZSA-N 1 0 323.433 2.302 10 0 DEAERO Cc1nnc(CN2CC[NH+](CCCSCC(C)C)CC2)[nH]1 ZINC000611431176 361598745 /nfs/dbraw/zinc/59/87/45/361598745.db2.gz XLPBCTGDEMYLDT-UHFFFAOYSA-N 1 0 311.499 2.010 10 0 DEAERO Cc1ccc(CN(C)CC(O)C[N@H+](C)Cc2ccc(C)o2)o1 ZINC000194401140 201218442 /nfs/dbraw/zinc/21/84/42/201218442.db2.gz 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202646186 /nfs/dbraw/zinc/64/61/86/202646186.db2.gz JOQPEJPZIYAPFF-AAEUAGOBSA-N 1 0 309.360 2.072 10 0 DEAERO c1csc(N2CCC([NH2+]C[C@H]3CCc4nccn4C3)CC2)n1 ZINC000275428545 212327323 /nfs/dbraw/zinc/32/73/23/212327323.db2.gz FBPCOBLHSUKEFP-CYBMUJFWSA-N 1 0 317.462 2.161 10 0 DEAERO CC[C@@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)C1CCC1 ZINC000449148544 240125371 /nfs/dbraw/zinc/12/53/71/240125371.db2.gz KMURFJKJWQRCAI-QGZVFWFLSA-N 1 0 307.482 2.099 10 0 DEAERO CCC[NH2+]CC[C@](C)(O)Cc1c(Br)c(C)nn1C ZINC000091465757 193059400 /nfs/dbraw/zinc/05/94/00/193059400.db2.gz UNOTXICBANLYKY-ZDUSSCGKSA-N 1 0 318.259 2.174 10 0 DEAERO COc1cc(Br)c(C[NH2+]C2CC(O)C2)cc1OC ZINC000091415720 193052904 /nfs/dbraw/zinc/05/29/04/193052904.db2.gz WHLMBJVZVGVXQT-UHFFFAOYSA-N 1 0 316.195 2.079 10 0 DEAERO CCc1nn(C)c(CC(=O)C(C)(C)[NH+](C)C)c1Br ZINC000091528134 193069565 /nfs/dbraw/zinc/06/95/65/193069565.db2.gz URGXAFVNWXSUMX-UHFFFAOYSA-N 1 0 316.243 2.197 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)C(C)(C)N(CC)CC 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c1cc(CN2CCO[C@H](C[NH2+][C@H]3CCC34CCC4)C2)ccn1 ZINC000624263178 365360676 /nfs/dbraw/zinc/36/06/76/365360676.db2.gz BWPFOAWAJLTVEA-SJORKVTESA-N 1 0 301.434 2.205 10 0 DEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)C1(N(C)C)CCCC1 ZINC000091638250 193082554 /nfs/dbraw/zinc/08/25/54/193082554.db2.gz QXVYUPJIIIYLAZ-OAHLLOKOSA-N 1 0 318.527 2.444 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)C1(N(C)C)CCCC1 ZINC000091638440 193082848 /nfs/dbraw/zinc/08/28/48/193082848.db2.gz JXLXNNVUZULDJJ-CQSZACIVSA-N 1 0 304.500 2.054 10 0 DEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(Cl)s1)C2 ZINC000624412962 365414598 /nfs/dbraw/zinc/41/45/98/365414598.db2.gz RBAHIOVQCKZZAZ-TXEJJXNPSA-N 1 0 320.867 2.022 10 0 DEAERO C[C@H]1CC[C@@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C[NH2+]1 ZINC000624407014 365413266 /nfs/dbraw/zinc/41/32/66/365413266.db2.gz RGSYOJGKTRSFGD-DTWKUNHWSA-N 1 0 323.245 2.412 10 0 DEAERO [NH3+]CC1([C@@H](O)c2cc(Br)ccc2F)CCOCC1 ZINC000091911615 193124747 /nfs/dbraw/zinc/12/47/47/193124747.db2.gz YOPKBQFADRYGJJ-LBPRGKRZSA-N 1 0 318.186 2.377 10 0 DEAERO CC[C@@H](C[NH3+])[C@H](O)c1cc(Br)c2c(c1)OCCO2 ZINC000091913304 193126171 /nfs/dbraw/zinc/12/61/71/193126171.db2.gz YRBGSEQPJPKLOD-UFBFGSQYSA-N 1 0 316.195 2.239 10 0 DEAERO CNc1ncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000092023910 193143263 /nfs/dbraw/zinc/14/32/63/193143263.db2.gz GYSRLIFWOGNCCV-NEPJUHHUSA-N 1 0 308.813 2.085 10 0 DEAERO Brc1ccc2c(c1)N(C[C@@H]1C[NH2+]CCO1)CC21CC1 ZINC000629558585 367252006 /nfs/dbraw/zinc/25/20/06/367252006.db2.gz JTBDMDGAYNODGH-LBPRGKRZSA-N 1 0 323.234 2.289 10 0 DEAERO C[NH2+]CCOCCN(C)Cc1ccc(Br)cc1F ZINC000629567869 367254880 /nfs/dbraw/zinc/25/48/80/367254880.db2.gz PYCVBBOIIBWYDH-UHFFFAOYSA-N 1 0 319.218 2.256 10 0 DEAERO CC(=O)N1CC[C@H](C[N@H+](C)CCCC(=O)c2ccccc2)C1 ZINC000450623212 242031975 /nfs/dbraw/zinc/03/19/75/242031975.db2.gz PRSKHIJAKWFKOC-MRXNPFEDSA-N 1 0 302.418 2.450 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C(C)C)c(F)c1 ZINC000092115698 193163329 /nfs/dbraw/zinc/16/33/29/193163329.db2.gz COODKCQIBLFNQF-NSHDSACASA-N 1 0 302.415 2.210 10 0 DEAERO C[C@@H]1CCCCCN1S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116229 193163953 /nfs/dbraw/zinc/16/39/53/193163953.db2.gz QGGAJIZDNOMXLL-LLVKDONJSA-N 1 0 300.399 2.238 10 0 DEAERO C[C@H]1CCCCCN1S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116230 193164560 /nfs/dbraw/zinc/16/45/60/193164560.db2.gz QGGAJIZDNOMXLL-NSHDSACASA-N 1 0 300.399 2.238 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H]([NH3+])C(C)(C)OC ZINC000092138656 193167941 /nfs/dbraw/zinc/16/79/41/193167941.db2.gz LSPZLJVXINTPIN-SNVBAGLBSA-N 1 0 304.232 2.269 10 0 DEAERO c1c(C[NH2+]CC2(C3CCC3)CCC2)nnn1C[C@@H]1CCOC1 ZINC000631155249 368049864 /nfs/dbraw/zinc/04/98/64/368049864.db2.gz MJYGOXHUTVJYTA-AWEZNQCLSA-N 1 0 304.438 2.375 10 0 DEAERO c1c(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000631164240 368055290 /nfs/dbraw/zinc/05/52/90/368055290.db2.gz OWDGOLMHGWJFTA-VNQPRFMTSA-N 1 0 304.438 2.373 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000092205524 193172815 /nfs/dbraw/zinc/17/28/15/193172815.db2.gz QJXADWXGHGGJJX-YUELXQCFSA-N 1 0 306.793 2.143 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092239799 193178670 /nfs/dbraw/zinc/17/86/70/193178670.db2.gz BAWHNBYPLBZTCM-NMFUWQPSSA-N 1 0 302.443 2.332 10 0 DEAERO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000631978708 368478940 /nfs/dbraw/zinc/47/89/40/368478940.db2.gz HEXOHBUFASKBOT-LBPRGKRZSA-N 1 0 316.854 2.397 10 0 DEAERO O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631995387 368485220 /nfs/dbraw/zinc/48/52/20/368485220.db2.gz FNTNPYCQFNICQY-ZJUUUORDSA-N 1 0 320.867 2.164 10 0 DEAERO Cc1nnc(SC[C@@H]2Cc3ccccc3S2)n1CC[NH3+] ZINC000092262746 193183228 /nfs/dbraw/zinc/18/32/28/193183228.db2.gz LYCULBOGJJDERI-LBPRGKRZSA-N 1 0 306.460 2.354 10 0 DEAERO COCOc1ccc(OC)cc1C[NH+]1CCC([C@H](C)O)CC1 ZINC000092970589 193190320 /nfs/dbraw/zinc/19/03/20/193190320.db2.gz FZCUJRRAAAOVHO-ZDUSSCGKSA-N 1 0 309.406 2.271 10 0 DEAERO COCC1(CNC(=O)[C@H]2C[C@@H]2c2ccccc2C)CC[NH2+]CC1 ZINC000261838592 203131296 /nfs/dbraw/zinc/13/12/96/203131296.db2.gz ZVBJVHZCDJCXJH-SJORKVTESA-N 1 0 316.445 2.231 10 0 DEAERO CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261945590 203158901 /nfs/dbraw/zinc/15/89/01/203158901.db2.gz JRGRTIKYKSPVPW-YPMHNXCESA-N 1 0 316.323 2.170 10 0 DEAERO C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000262080491 203191501 /nfs/dbraw/zinc/19/15/01/203191501.db2.gz TVIMBNMCPOKYNS-SRMUXQRQSA-N 1 0 306.381 2.242 10 0 DEAERO CO[C@H](c1ccccc1F)[C@H](C)NC(=O)[C@@H]([NH3+])CCSC ZINC000262125838 203205319 /nfs/dbraw/zinc/20/53/19/203205319.db2.gz LJQWSGZKHLTNTA-BPNCWPANSA-N 1 0 314.426 2.098 10 0 DEAERO C[NH2+]C[C@H](CCS(C)(=O)=O)c1ccc(Br)cc1 ZINC000093150119 193208011 /nfs/dbraw/zinc/20/80/11/193208011.db2.gz DCIVQULPYYHPOS-NSHDSACASA-N 1 0 320.252 2.187 10 0 DEAERO O=C(N[C@@H]1COc2ccccc2C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246706990 284134004 /nfs/dbraw/zinc/13/40/04/284134004.db2.gz NNNIQZCKMPFLRY-BVUBDWEXSA-N 1 0 300.402 2.027 10 0 DEAERO [NH3+]C[C@H](c1ccccc1F)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000093179306 193212245 /nfs/dbraw/zinc/21/22/45/193212245.db2.gz ZQLMKUQYGFNLND-KGLIPLIRSA-N 1 0 305.374 2.439 10 0 DEAERO CCS(=O)(=O)CC[C@@H](C[NH3+])c1ccccc1Br ZINC000093181419 193212903 /nfs/dbraw/zinc/21/29/03/193212903.db2.gz IZHOLDIFUXZWHC-JTQLQIEISA-N 1 0 320.252 2.316 10 0 DEAERO Cn1cc(CC2(c3ccc(Br)cc3)C[NH2+]C2)cn1 ZINC000093197159 193214467 /nfs/dbraw/zinc/21/44/67/193214467.db2.gz WJJSWORLFDBNKX-UHFFFAOYSA-N 1 0 306.207 2.266 10 0 DEAERO Cc1cc(C)c(CC2([C@H]3CCS(=O)(=O)C3)C[NH2+]C2)c(C)c1 ZINC000093195382 193214585 /nfs/dbraw/zinc/21/45/85/193214585.db2.gz NUMJRSITWGNPQW-HNNXBMFYSA-N 1 0 307.459 2.179 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000262524234 203320342 /nfs/dbraw/zinc/32/03/42/203320342.db2.gz FYCVIKQVJPGTQB-GXTWGEPZSA-N 1 0 302.777 2.146 10 0 DEAERO COC(C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC000093214473 193217618 /nfs/dbraw/zinc/21/76/18/193217618.db2.gz RPYAJAYPYHKALC-NWDGAFQWSA-N 1 0 302.415 2.031 10 0 DEAERO C[S@](=O)C[C@H](NC(=O)CCCCCC[NH3+])c1ccccc1 ZINC000262628171 203356538 /nfs/dbraw/zinc/35/65/38/203356538.db2.gz MCCCLQFPHHGWJI-BTYIYWSLSA-N 1 0 310.463 2.132 10 0 DEAERO COCc1cc(NC(=O)NCCC[NH2+]C2CCCCC2)ncn1 ZINC000093318002 193231872 /nfs/dbraw/zinc/23/18/72/193231872.db2.gz JBHVXLWEKLQJGC-UHFFFAOYSA-N 1 0 321.425 2.057 10 0 DEAERO C[S@](=O)Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC000262645866 203364105 /nfs/dbraw/zinc/36/41/05/203364105.db2.gz RSOSXXYEHGAZCJ-XAJVAHTNSA-N 1 0 314.838 2.284 10 0 DEAERO CSc1ccc([C@@]2(C)CNC(=[NH2+])N2C[C@H]2CCCO2)cc1 ZINC000093378011 193240501 /nfs/dbraw/zinc/24/05/01/193240501.db2.gz BJHTXPWNWNVFFN-CZUORRHYSA-N 1 0 305.447 2.433 10 0 DEAERO Cn1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(-c2ccncc2)n1 ZINC000093507134 193260663 /nfs/dbraw/zinc/26/06/63/193260663.db2.gz KYYAMFKBGXWXDA-NVXWUHKLSA-N 1 0 312.417 2.483 10 0 DEAERO COc1ccc(C2CC([NH2+]CC(C)(C)S(C)(=O)=O)C2)cc1 ZINC000093520445 193263267 /nfs/dbraw/zinc/26/32/67/193263267.db2.gz CEVJUCLPGXRJIM-UHFFFAOYSA-N 1 0 311.447 2.354 10 0 DEAERO CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525685 193263758 /nfs/dbraw/zinc/26/37/58/193263758.db2.gz JPPPILUVWJRLMP-CQSZACIVSA-N 1 0 316.511 2.052 10 0 DEAERO Cc1nn(CC[C@H]2CCC[C@]2(O)C[NH3+])c(C)c1Br ZINC000093627278 193276201 /nfs/dbraw/zinc/27/62/01/193276201.db2.gz ZTDPSPQIZQBRBD-YPMHNXCESA-N 1 0 316.243 2.142 10 0 DEAERO NC(=O)[C@]1([NH3+])CCC[C@@H]1CCSc1ccc(F)cc1F ZINC000093627352 193276498 /nfs/dbraw/zinc/27/64/98/193276498.db2.gz YFXKLOUXVGYQGL-OTYXRUKQSA-N 1 0 300.374 2.430 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSC1CCOCC1 ZINC000093630637 193277426 /nfs/dbraw/zinc/27/74/26/193277426.db2.gz DLJWGOQGSMCPNA-CJNGLKHVSA-N 1 0 314.495 2.313 10 0 DEAERO CCC[NH2+][C@@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093697987 193292705 /nfs/dbraw/zinc/29/27/05/193292705.db2.gz XRKYZYZPWFJQPP-CABCVRRESA-N 1 0 304.500 2.462 10 0 DEAERO CC1(C)CCC[C@@]([NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093699233 193293306 /nfs/dbraw/zinc/29/33/06/193293306.db2.gz XBWCNMRNQJZTEL-DZGCQCFKSA-N 1 0 302.484 2.346 10 0 DEAERO CC[C@]([NH3+])(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093699191 193293344 /nfs/dbraw/zinc/29/33/44/193293344.db2.gz NQEMPNKWPYHCRQ-ZBFHGGJFSA-N 1 0 310.463 2.312 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1C ZINC000093699972 193293870 /nfs/dbraw/zinc/29/38/70/193293870.db2.gz XSGFPHRXAUAKBC-HOCLYGCPSA-N 1 0 310.463 2.317 10 0 DEAERO C[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccs1 ZINC000093699808 193293915 /nfs/dbraw/zinc/29/39/15/193293915.db2.gz DOSPBDYYGVASHS-VXGBXAGGSA-N 1 0 302.465 2.070 10 0 DEAERO CC[NH2+][C@H](CCC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700126 193293948 /nfs/dbraw/zinc/29/39/48/193293948.db2.gz WKFZZCHUKRCARC-LSDHHAIUSA-N 1 0 304.500 2.462 10 0 DEAERO CC(C)C[NH2+]CC1(C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093701644 193294538 /nfs/dbraw/zinc/29/45/38/193294538.db2.gz PQTWYVPLJYFXPF-CQSZACIVSA-N 1 0 302.484 2.074 10 0 DEAERO C[NH2+][C@@H]1CCCC[C@H](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093702247 193295212 /nfs/dbraw/zinc/29/52/12/193295212.db2.gz WUHQGYQEDSMXOW-QLFBSQMISA-N 1 0 302.484 2.216 10 0 DEAERO COC(=O)C(C)(C)COc1c(Cl)cc(CC[NH3+])cc1OC ZINC000093718866 193297537 /nfs/dbraw/zinc/29/75/37/193297537.db2.gz MQBYUPHIZNWADC-UHFFFAOYSA-N 1 0 315.797 2.428 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC000093740217 193297764 /nfs/dbraw/zinc/29/77/64/193297764.db2.gz SLUGAWACDPOIJQ-AWEZNQCLSA-N 1 0 300.805 2.368 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H](n2ccnc2-c2cccs2)C1 ZINC000093759428 193301696 /nfs/dbraw/zinc/30/16/96/193301696.db2.gz VXCBUWBWXHXLHQ-IAQYHMDHSA-N 1 0 304.419 2.170 10 0 DEAERO NC(=O)[C@]1([NH3+])CCC[C@@H](Sc2ccc(C(F)(F)F)cn2)C1 ZINC000093777634 193304724 /nfs/dbraw/zinc/30/47/24/193304724.db2.gz XXJHPCPYGRAJQC-SKDRFNHKSA-N 1 0 319.352 2.318 10 0 DEAERO Cc1nnc(S[C@H]2CCC[C@@]([NH2+]C(C)C)(C(N)=O)C2)s1 ZINC000093778419 193306697 /nfs/dbraw/zinc/30/66/97/193306697.db2.gz IXOMVSTXLAOIGY-GWCFXTLKSA-N 1 0 314.480 2.103 10 0 DEAERO OC[C@]1([NH2+]C2CC2)CCC[C@H](N(CC(F)(F)F)C2CC2)C1 ZINC000093782833 193307539 /nfs/dbraw/zinc/30/75/39/193307539.db2.gz FVGKSCRYAJYBGL-KBPBESRZSA-N 1 0 306.372 2.439 10 0 DEAERO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc2c1OCCO2 ZINC000093644088 193281866 /nfs/dbraw/zinc/28/18/66/193281866.db2.gz YEAFUPZMNRWXJN-DZGCQCFKSA-N 1 0 320.433 2.381 10 0 DEAERO CCN(C1(C[NH3+])CCCCCC1)S(=O)(=O)CCOC(C)C ZINC000093664805 193286853 /nfs/dbraw/zinc/28/68/53/193286853.db2.gz SICWUTFNLGKINB-UHFFFAOYSA-N 1 0 320.499 2.115 10 0 DEAERO CC[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093850324 193317529 /nfs/dbraw/zinc/31/75/29/193317529.db2.gz HJLHYROCIYZNQX-BMIGLBTASA-N 1 0 304.419 2.041 10 0 DEAERO COC(=O)[C@]1([NH3+])CC[C@H](Sc2ncnc3ccccc32)C1 ZINC000093851633 193318826 /nfs/dbraw/zinc/31/88/26/193318826.db2.gz CMXDVKPOXDQWLM-BONVTDFDSA-N 1 0 303.387 2.145 10 0 DEAERO COc1ccccc1S[C@@H]1CC[C@@]([NH2+]C2CC2)(C(N)=O)C1 ZINC000093851855 193318888 /nfs/dbraw/zinc/31/88/88/193318888.db2.gz IFOUAXFZJRBZAN-WBMJQRKESA-N 1 0 306.431 2.316 10 0 DEAERO NC(=O)[C@@]1([NH2+]C2CC2)CC[C@@H](Sc2ncccc2Cl)C1 ZINC000093854117 193319560 /nfs/dbraw/zinc/31/95/60/193319560.db2.gz JTUGHOBCIDXPEF-QMTHXVAHSA-N 1 0 311.838 2.356 10 0 DEAERO CCOC(=O)[C@]1([NH3+])CC[C@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093854145 193320420 /nfs/dbraw/zinc/32/04/20/193320420.db2.gz YVFFBVLGADLEAU-WFASDCNBSA-N 1 0 309.435 2.307 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)N(C)C1CCCCC1 ZINC000093878270 193322568 /nfs/dbraw/zinc/32/25/68/193322568.db2.gz CAOAJSPTTRXLMD-UHFFFAOYSA-N 1 0 319.515 2.193 10 0 DEAERO CCN(CC(=O)NCc1ccccc1Cl)CC(C)(C)C[NH3+] ZINC000093891628 193323827 /nfs/dbraw/zinc/32/38/27/193323827.db2.gz PYNLNIMAABRXQS-UHFFFAOYSA-N 1 0 311.857 2.263 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(F)cc(F)c1 ZINC000093890979 193323941 /nfs/dbraw/zinc/32/39/41/193323941.db2.gz WNXMJFFVYUPSHI-UHFFFAOYSA-N 1 0 320.405 2.350 10 0 DEAERO CCCN(CC(=O)N(C)Cc1ccsc1)CC(C)(C)C[NH3+] ZINC000093892155 193324307 /nfs/dbraw/zinc/32/43/07/193324307.db2.gz SPDXVCCKGYPGOT-UHFFFAOYSA-N 1 0 311.495 2.403 10 0 DEAERO CC[NH2+][C@@H](c1cc(Cl)ccc1OC)[C@H]1CN(C)CCN1C ZINC000093895481 193324710 /nfs/dbraw/zinc/32/47/10/193324710.db2.gz ASIVUUZFCUCPAB-ZBFHGGJFSA-N 1 0 311.857 2.245 10 0 DEAERO C[NH2+][C@@H](c1cscc1Br)[C@H]1CN(C)CCN1C ZINC000093938065 193330582 /nfs/dbraw/zinc/33/05/82/193330582.db2.gz HTOCEBOKQFJVDI-NEPJUHHUSA-N 1 0 318.284 2.017 10 0 DEAERO C[NH2+][C@H](c1cscc1Br)[C@H]1CN(C)CCN1C ZINC000093938066 193330630 /nfs/dbraw/zinc/33/06/30/193330630.db2.gz HTOCEBOKQFJVDI-VXGBXAGGSA-N 1 0 318.284 2.017 10 0 DEAERO CC[NH2+][C@H](CSC[C@H](O)CO)C12CC3CC(CC(C3)C1)C2 ZINC000093962043 193331913 /nfs/dbraw/zinc/33/19/13/193331913.db2.gz GXCVPSFYLRMYQT-IPEWZMKDSA-N 1 0 313.507 2.267 10 0 DEAERO CCC(C)(C)[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)CCS(C)(=O)=O)C1 ZINC000094297591 193356673 /nfs/dbraw/zinc/35/66/73/193356673.db2.gz USNGDTZWJWWHOR-RBSFLKMASA-N 1 0 318.527 2.143 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)CCS(C)(=O)=O ZINC000094297316 193356834 /nfs/dbraw/zinc/35/68/34/193356834.db2.gz MDQQKFJOMJUFGX-BXKDBHETSA-N 1 0 324.899 2.156 10 0 DEAERO CC[NH2+][C@H]1[C@H](N2CCN(CC(F)(F)F)CC2)CCC1(C)C ZINC000094305753 193358679 /nfs/dbraw/zinc/35/86/79/193358679.db2.gz ZRYWFGKHZXBKNF-OLZOCXBDSA-N 1 0 307.404 2.333 10 0 DEAERO CC[NH2+][C@@H]1[C@H](N2CCN(CC(F)(F)F)CC2)CCC1(C)C ZINC000094305752 193358882 /nfs/dbraw/zinc/35/88/82/193358882.db2.gz ZRYWFGKHZXBKNF-CHWSQXEVSA-N 1 0 307.404 2.333 10 0 DEAERO CCC[C@@](C)(C[NH2+]CC(C)C)CN(C)CCS(C)(=O)=O ZINC000094300591 193358984 /nfs/dbraw/zinc/35/89/84/193358984.db2.gz SJNRSMCNLSMMEK-HNNXBMFYSA-N 1 0 306.516 2.015 10 0 DEAERO C[NH2+][C@@H]1[C@@H](CN2CCN(CC(F)(F)F)CC2)CCC1(C)C ZINC000094318373 193359184 /nfs/dbraw/zinc/35/91/84/193359184.db2.gz HNLFPIVIBNSSGG-CHWSQXEVSA-N 1 0 307.404 2.191 10 0 DEAERO C[NH+]1CCC(Oc2nc(C(F)(F)F)ccc2C(N)=S)CC1 ZINC000094336376 193360824 /nfs/dbraw/zinc/36/08/24/193360824.db2.gz TXPFQHBRXGRSFN-UHFFFAOYSA-N 1 0 319.352 2.208 10 0 DEAERO C[C@H]1CN(c2ccccc2S(=O)(=O)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000094342355 193362758 /nfs/dbraw/zinc/36/27/58/193362758.db2.gz HIOPUNFQLZNIQQ-UWVGGRQHSA-N 1 0 322.352 2.154 10 0 DEAERO C[C@@H]1CN(c2ccccc2S(=O)(=O)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000094342354 193362786 /nfs/dbraw/zinc/36/27/86/193362786.db2.gz HIOPUNFQLZNIQQ-ZJUUUORDSA-N 1 0 322.352 2.154 10 0 DEAERO CCCCCNC(=O)[C@@H](C)Oc1c(F)cc(C[NH3+])cc1F ZINC000094346198 193363089 /nfs/dbraw/zinc/36/30/89/193363089.db2.gz ZAYDUJDNBBNKEU-SNVBAGLBSA-N 1 0 300.349 2.497 10 0 DEAERO CC(C)C[NH2+]Cc1cc(F)c(OCCS(C)(=O)=O)c(F)c1 ZINC000094347925 193363158 /nfs/dbraw/zinc/36/31/58/193363158.db2.gz XPOAQWXXLSJIPY-UHFFFAOYSA-N 1 0 321.389 2.134 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(F)c(OCC(=O)N(C)CC)c(F)c1 ZINC000094350444 193363362 /nfs/dbraw/zinc/36/33/62/193363362.db2.gz NNIGGKZKMXHBFS-NSHDSACASA-N 1 0 300.349 2.102 10 0 DEAERO CC[NH2+]Cc1cc(F)c(OCC(=O)N[C@@H](C)CC)c(F)c1 ZINC000094347055 193363670 /nfs/dbraw/zinc/36/36/70/193363670.db2.gz FQJQOKSXMMLMPI-JTQLQIEISA-N 1 0 300.349 2.368 10 0 DEAERO CCCNC(=O)[C@H](C)Oc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350176 193363760 /nfs/dbraw/zinc/36/37/60/193363760.db2.gz LSXQNCCHVSIOFH-UWVGGRQHSA-N 1 0 300.349 2.148 10 0 DEAERO C[C@H]([NH3+])Cc1cc(F)c(OCC(=O)NC(C)(C)C)c(F)c1 ZINC000094350205 193363804 /nfs/dbraw/zinc/36/38/04/193363804.db2.gz YKBJVUFIPHVRJW-VIFPVBQESA-N 1 0 300.349 2.148 10 0 DEAERO CC(C)N(CC1CC[NH2+]CC1)c1ncc(Br)cn1 ZINC000094044374 193340732 /nfs/dbraw/zinc/34/07/32/193340732.db2.gz XHHHYZAWKXUMBG-UHFFFAOYSA-N 1 0 313.243 2.454 10 0 DEAERO Clc1cnc(-c2noc([C@H]3C[NH2+]CCO3)n2)c(Cl)c1 ZINC000094199298 193349003 /nfs/dbraw/zinc/34/90/03/193349003.db2.gz KJIPWWBWJVAZGM-MRVPVSSYSA-N 1 0 301.133 2.099 10 0 DEAERO CCC1CCC(O)(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094636191 193386607 /nfs/dbraw/zinc/38/66/07/193386607.db2.gz BSBGEOAGHBFASS-PYBGIAKNSA-N 1 0 317.495 2.263 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@H](OCC2([NH3+])CCCCCC2)C1 ZINC000094638006 193386978 /nfs/dbraw/zinc/38/69/78/193386978.db2.gz YUPKPTHZXQNOGT-ZIAGYGMSSA-N 1 0 303.468 2.411 10 0 DEAERO CCC[NH2+]CCN1c2ccc(C(F)(F)F)cc2C(=O)C1=O ZINC000094658009 193390745 /nfs/dbraw/zinc/39/07/45/193390745.db2.gz MWTXKDHASZFIRB-UHFFFAOYSA-N 1 0 300.280 2.234 10 0 DEAERO COCC[NH2+]CC[C@](C)(O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094418783 193368616 /nfs/dbraw/zinc/36/86/16/193368616.db2.gz QQWFGJVRFPEJSS-CABCVRRESA-N 1 0 317.495 2.056 10 0 DEAERO c1c(C[NH2+]C2CC2)nnn1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094419102 193368926 /nfs/dbraw/zinc/36/89/26/193368926.db2.gz RWTSBGOGERKPHH-CQSZACIVSA-N 1 0 308.451 2.147 10 0 DEAERO Cc1cccc(N2CCN([C@]3(C[NH3+])CS[C@H](C)C3)CC2)c1 ZINC000094473261 193372553 /nfs/dbraw/zinc/37/25/53/193372553.db2.gz HYCXEYWJXSVGIA-NVXWUHKLSA-N 1 0 305.491 2.340 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C2)sc1Br ZINC000094494496 193373777 /nfs/dbraw/zinc/37/37/77/193373777.db2.gz MGZIMTYIZHGRMS-MRVPVSSYSA-N 1 0 303.225 2.253 10 0 DEAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CN2CCN1CC2 ZINC000094508963 193375295 /nfs/dbraw/zinc/37/52/95/193375295.db2.gz VIBCIXLMDJZSSP-KGLIPLIRSA-N 1 0 300.233 2.254 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccccc2SC(F)F)O1 ZINC000094563106 193379809 /nfs/dbraw/zinc/37/98/09/193379809.db2.gz CNXPMGPTJPGKTR-WCBMZHEXSA-N 1 0 302.346 2.446 10 0 DEAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000094573131 193381876 /nfs/dbraw/zinc/38/18/76/193381876.db2.gz QPMLGMSIKZZBSK-JQWIXIFHSA-N 1 0 302.296 2.459 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNc2nc3ccc(Br)cn3n2)C1 ZINC000094604854 193383552 /nfs/dbraw/zinc/38/35/52/193383552.db2.gz OBMJHHOZMUNNBM-JTQLQIEISA-N 1 0 324.226 2.246 10 0 DEAERO CC[N@@H+]1CCC[C@H](Nc2nc3ccc(Br)cn3n2)C1 ZINC000094603783 193384255 /nfs/dbraw/zinc/38/42/55/193384255.db2.gz WDUZTTPLFNBVED-NSHDSACASA-N 1 0 324.226 2.388 10 0 DEAERO C[C@@H](Nc1nc2ccc(Br)cn2n1)[C@@H]1CCC[NH2+]C1 ZINC000094607702 193384370 /nfs/dbraw/zinc/38/43/70/193384370.db2.gz ZWKJXNMKKNGSAN-NXEZZACHSA-N 1 0 324.226 2.292 10 0 DEAERO CN(c1nc2c(Br)cccn2n1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000094608862 193384486 /nfs/dbraw/zinc/38/44/86/193384486.db2.gz WVWWLWWJVQNJPP-MWLCHTKSSA-N 1 0 324.226 2.055 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1nc2c(Br)cccn2n1 ZINC000094607997 193384515 /nfs/dbraw/zinc/38/45/15/193384515.db2.gz WERLKBXPUZCJJQ-KOLCDFICSA-N 1 0 324.226 2.198 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2nc3ccc(Br)cn3n2)C1 ZINC000094608414 193384595 /nfs/dbraw/zinc/38/45/95/193384595.db2.gz SISOUMHHUPKCII-VHSXEESVSA-N 1 0 324.226 2.055 10 0 DEAERO C[NH2+]C1CCC(Nc2nc3c(Br)cccn3n2)CC1 ZINC000094609183 193384887 /nfs/dbraw/zinc/38/48/87/193384887.db2.gz LLYGDGOVFAZWQJ-UHFFFAOYSA-N 1 0 324.226 2.434 10 0 DEAERO CC(C)[C@@H](C[NH3+])NC(=O)c1c(F)cc(Br)cc1F ZINC000094717074 193394219 /nfs/dbraw/zinc/39/42/19/193394219.db2.gz ZIJNEKMXJHBNRU-SNVBAGLBSA-N 1 0 321.165 2.440 10 0 DEAERO C[C@H](C(=O)Nc1ccc(C(N)=S)cc1)[N@@H+]1CCC(C)(C)C1 ZINC000094803239 193399509 /nfs/dbraw/zinc/39/95/09/193399509.db2.gz RKAQJBFAWQCPFI-LLVKDONJSA-N 1 0 305.447 2.380 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)c2csc(C[NH3+])c2)C1 ZINC000094815078 193399851 /nfs/dbraw/zinc/39/98/51/193399851.db2.gz GAXONQDZKLVZET-UHFFFAOYSA-N 1 0 302.465 2.408 10 0 DEAERO CC[NH2+][C@@H](CCO)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095091402 193422165 /nfs/dbraw/zinc/42/21/65/193422165.db2.gz RSFFYNNNCUVLHM-KRWDZBQOSA-N 1 0 320.433 2.396 10 0 DEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000282449643 217003014 /nfs/dbraw/zinc/00/30/14/217003014.db2.gz SJBURQKYJKTCJD-VXNVDRBHSA-N 1 0 303.225 2.267 10 0 DEAERO CCOCCC[N@@H+]1CC[C@@H](NCc2cnc(CC)o2)[C@@H](C)C1 ZINC000453391952 245113563 /nfs/dbraw/zinc/11/35/63/245113563.db2.gz QYDDYPNIDKSBEP-GOEBONIOSA-N 1 0 309.454 2.464 10 0 DEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000282469663 217017734 /nfs/dbraw/zinc/01/77/34/217017734.db2.gz UNURRSNLFUWJPZ-PRHODGIISA-N 1 0 315.186 2.345 10 0 DEAERO C[NH2+]C(C)(C)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000271743493 209174294 /nfs/dbraw/zinc/17/42/94/209174294.db2.gz RQTZUXUBMBHRJM-UHFFFAOYSA-N 1 0 310.341 2.390 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])C[C@H](C)COC)c1Br ZINC000097240287 193696852 /nfs/dbraw/zinc/69/68/52/193696852.db2.gz YZBKXKYSSWJYGI-VHSXEESVSA-N 1 0 318.259 2.287 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000530237162 284382398 /nfs/dbraw/zinc/38/23/98/284382398.db2.gz UJTALDWWUABJFN-MWDXBVQZSA-N 1 0 303.402 2.407 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2OC(F)(F)F)CCO1 ZINC000019230431 182108945 /nfs/dbraw/zinc/10/89/45/182108945.db2.gz DAUMYULOVILZIK-PWSUYJOCSA-N 1 0 304.312 2.306 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)ccc1F ZINC000020189340 182195470 /nfs/dbraw/zinc/19/54/70/182195470.db2.gz ZLOOARGRKKVNNN-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)N1CC[NH2+]CC1 ZINC000020269994 182201737 /nfs/dbraw/zinc/20/17/37/182201737.db2.gz BUGMDWREQWITRC-VIFPVBQESA-N 1 0 302.205 2.226 10 0 DEAERO COC(C)(C)C[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000160070525 197383363 /nfs/dbraw/zinc/38/33/63/197383363.db2.gz YIPOCQKPTWNWQW-UHFFFAOYSA-N 1 0 313.199 2.006 10 0 DEAERO O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434013 182217460 /nfs/dbraw/zinc/21/74/60/182217460.db2.gz RAUWLOXWBXFHFD-FWOIEVBISA-N 1 0 309.580 2.308 10 0 DEAERO C[NH+](C)CCCNCc1ccccc1OCC(=O)NC(C)(C)C ZINC000020872430 182250949 /nfs/dbraw/zinc/25/09/49/182250949.db2.gz DURAPVJSXNQRCM-UHFFFAOYSA-N 1 0 321.465 2.021 10 0 DEAERO COCC[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020933856 182255461 /nfs/dbraw/zinc/25/54/61/182255461.db2.gz KINYBRTUQIOBRL-UHFFFAOYSA-N 1 0 304.184 2.202 10 0 DEAERO CCn1cc(C[NH2+]CCCN2CCOCC2)c2ccccc21 ZINC000020968469 182256704 /nfs/dbraw/zinc/25/67/04/182256704.db2.gz QRJMUEOEQIVWGR-UHFFFAOYSA-N 1 0 301.434 2.473 10 0 DEAERO [NH3+]C[C@@H](c1cccc(F)c1)N1CCN(c2nccs2)CC1 ZINC000021022962 182261386 /nfs/dbraw/zinc/26/13/86/182261386.db2.gz QICBVXVFGNSQJH-AWEZNQCLSA-N 1 0 306.410 2.104 10 0 DEAERO Cc1ccccc1[C@@H](C[NH3+])N1CCN(c2nccs2)CC1 ZINC000021806759 182291102 /nfs/dbraw/zinc/29/11/02/182291102.db2.gz OGGRWCPFKBCHCZ-OAHLLOKOSA-N 1 0 302.447 2.274 10 0 DEAERO COc1ccccc1N(CCC[NH3+])S(=O)(=O)C1CCCC1 ZINC000097834580 193763106 /nfs/dbraw/zinc/76/31/06/193763106.db2.gz KMWJREORLJHHDZ-UHFFFAOYSA-N 1 0 312.435 2.123 10 0 DEAERO C[C@H]1CCC[C@H](C[NH3+])N1S(=O)(=O)c1cc(F)ccc1Cl ZINC000097896673 193765612 /nfs/dbraw/zinc/76/56/12/193765612.db2.gz NBVJZPVGJARCCQ-GXSJLCMTSA-N 1 0 320.817 2.370 10 0 DEAERO CCO[C@@H]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@@H]1C ZINC000454893298 246232641 /nfs/dbraw/zinc/23/26/41/246232641.db2.gz ZNJINNNCPLKCPU-ZGRYLRDCSA-N 1 0 323.481 2.460 10 0 DEAERO CCc1oc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1C ZINC000155451796 291606194 /nfs/dbraw/zinc/60/61/94/291606194.db2.gz BZSJLUAYFFSQPA-AWEZNQCLSA-N 1 0 308.422 2.333 10 0 DEAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1ccccc1Br ZINC000036259420 182811108 /nfs/dbraw/zinc/81/11/08/182811108.db2.gz FOAWTWVTVRWZFA-BREBYQMCSA-N 1 0 309.207 2.272 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000457841039 248040977 /nfs/dbraw/zinc/04/09/77/248040977.db2.gz HFISIQWIAOCERW-INIZCTEOSA-N 1 0 318.417 2.336 10 0 DEAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](COC)c1ccccc1 ZINC000458245730 248228221 /nfs/dbraw/zinc/22/82/21/248228221.db2.gz VDAKEEHRGBXMDN-IRXDYDNUSA-N 1 0 319.449 2.500 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000136250343 284597731 /nfs/dbraw/zinc/59/77/31/284597731.db2.gz HOOLSVVTOCMACZ-RDJZCZTQSA-N 1 0 311.470 2.055 10 0 DEAERO C[C@@](CO)([NH2+]C[C@@H]1CCCO1)c1ccccc1Br ZINC000038114519 182992500 /nfs/dbraw/zinc/99/25/00/182992500.db2.gz KCYPUQWREGQCFU-FZMZJTMJSA-N 1 0 314.223 2.425 10 0 DEAERO C[C@@H]1C[NH+](CCC(=O)Nc2ccc(Cl)cc2N)C[C@@H](C)O1 ZINC000040162754 183042877 /nfs/dbraw/zinc/04/28/77/183042877.db2.gz LEVSXJNLFRPMBH-GHMZBOCLSA-N 1 0 311.813 2.360 10 0 DEAERO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(N)cc2Cl)C[C@H](C)O1 ZINC000040162726 183042973 /nfs/dbraw/zinc/04/29/73/183042973.db2.gz ILUQUBSHRSBROX-PHIMTYICSA-N 1 0 311.813 2.360 10 0 DEAERO [NH3+]CCCc1nc2cc(C(F)(F)F)ccc2n1CCCO ZINC000040402567 183061257 /nfs/dbraw/zinc/06/12/57/183061257.db2.gz WPXSLXAXXWNYKG-UHFFFAOYSA-N 1 0 301.312 2.329 10 0 DEAERO Cc1cc(C)c(C[NH3+])c(Oc2ccc(S(C)(=O)=O)cc2)n1 ZINC000040509786 183086362 /nfs/dbraw/zinc/08/63/62/183086362.db2.gz KMLCKNQVVSQEEQ-UHFFFAOYSA-N 1 0 306.387 2.353 10 0 DEAERO CC[C@@H](C)N1C(=O)C[C@@H]([NH2+][C@@H](C)c2sc(C)nc2C)C1=O ZINC000040518440 183090426 /nfs/dbraw/zinc/09/04/26/183090426.db2.gz ALAAHEZGTIGMOH-UBHAPETDSA-N 1 0 309.435 2.337 10 0 DEAERO CCOC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000040615941 183109844 /nfs/dbraw/zinc/10/98/44/183109844.db2.gz XXJBGYLFSVBYBU-INIZCTEOSA-N 1 0 318.417 2.139 10 0 DEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(F)cc1Cl ZINC000040749865 183128843 /nfs/dbraw/zinc/12/88/43/183128843.db2.gz NCDUDYKEZPNFKI-FGWVZKOKSA-N 1 0 318.801 2.122 10 0 DEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000040749916 183128955 /nfs/dbraw/zinc/12/89/55/183128955.db2.gz NGFJIGTYZRDUER-PBINXNQUSA-N 1 0 318.801 2.122 10 0 DEAERO CCNS(=O)(=O)c1ccc(N[C@@H](C)C[NH+](CC)CC)cc1 ZINC000041677194 183215132 /nfs/dbraw/zinc/21/51/32/183215132.db2.gz HEHMYDAOEJUZNW-ZDUSSCGKSA-N 1 0 313.467 2.127 10 0 DEAERO COc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000042167801 183238233 /nfs/dbraw/zinc/23/82/33/183238233.db2.gz AATFOXSBUWZUAB-VIFPVBQESA-N 1 0 300.305 2.377 10 0 DEAERO COCCCN(CCOC)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042420753 183267693 /nfs/dbraw/zinc/26/76/93/183267693.db2.gz CKTICTONCAZAQU-NSHDSACASA-N 1 0 306.859 2.386 10 0 DEAERO Nc1ccc(Cl)cc1NC(=O)CCC[N@H+](CCO)C1CC1 ZINC000042478394 183275543 /nfs/dbraw/zinc/27/55/43/183275543.db2.gz KJSBMNPMRXXMEY-UHFFFAOYSA-N 1 0 311.813 2.098 10 0 DEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042517779 183279725 /nfs/dbraw/zinc/27/97/25/183279725.db2.gz FOHWYGVBRPFPAF-GWCFXTLKSA-N 1 0 301.228 2.416 10 0 DEAERO COCC[N@H+](CCOc1ccccc1C(N)=S)CC(C)C ZINC000042369225 183259752 /nfs/dbraw/zinc/25/97/52/183259752.db2.gz WERGTFALYPVOFP-UHFFFAOYSA-N 1 0 310.463 2.304 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCC(C(N)=O)CC1 ZINC000043051055 183333065 /nfs/dbraw/zinc/33/30/65/183333065.db2.gz NEJRQMQAZHCYCB-LSDHHAIUSA-N 1 0 309.841 2.316 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CCO ZINC000042953976 183322105 /nfs/dbraw/zinc/32/21/05/183322105.db2.gz VQEDCVSNWVNRAF-CHWSQXEVSA-N 1 0 301.228 2.152 10 0 DEAERO COc1ccc([C@@H](Sc2nnnn2C2CC2)[C@@H](C)[NH3+])cc1 ZINC000042964648 183324448 /nfs/dbraw/zinc/32/44/48/183324448.db2.gz OQQGQJAJPMTSND-RNCFNFMXSA-N 1 0 305.407 2.197 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CC(=O)NC1CC1 ZINC000043014406 183327751 /nfs/dbraw/zinc/32/77/51/183327751.db2.gz SYLSHAJZKYEIAD-GOEBONIOSA-N 1 0 309.841 2.329 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC(CC(N)=O)CC1 ZINC000043015938 183327861 /nfs/dbraw/zinc/32/78/61/183327861.db2.gz XJBRPLZGDYKQTO-MEDUHNTESA-N 1 0 309.841 2.316 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCC[C@@H]1CO ZINC000043021121 183329624 /nfs/dbraw/zinc/32/96/24/183329624.db2.gz ATTICBLHDGMGOI-ZLKJLUDKSA-N 1 0 313.239 2.294 10 0 DEAERO COCCN(C)[C@@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043021239 183330038 /nfs/dbraw/zinc/33/00/38/183330038.db2.gz QBJUTIKQBFNLNR-GXFFZTMASA-N 1 0 301.228 2.416 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccsc1)N1CCN(c2nccs2)CC1 ZINC000043115986 183339071 /nfs/dbraw/zinc/33/90/71/183339071.db2.gz YJGKYVXXAWFEHM-DGCLKSJQSA-N 1 0 308.476 2.415 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCC(C(=O)NC)CC1 ZINC000043240651 183345978 /nfs/dbraw/zinc/34/59/78/183345978.db2.gz PWZUSQANMRRUOY-ZFWWWQNUSA-N 1 0 309.479 2.293 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1nnnn1C1CCCC1)c1cccnc1 ZINC000043351947 183356506 /nfs/dbraw/zinc/35/65/06/183356506.db2.gz WLERLNDMSQDGNV-ZWNOBZJWSA-N 1 0 304.423 2.364 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Oc1cccc(S(C)(=O)=O)c1)C(F)(F)F ZINC000043385223 183357902 /nfs/dbraw/zinc/35/79/02/183357902.db2.gz DAHNVFGACRWVEC-MNOVXSKESA-N 1 0 311.325 2.137 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(S(C)(=O)=O)cc1)C(F)(F)F ZINC000043385211 183358161 /nfs/dbraw/zinc/35/81/61/183358161.db2.gz WJGSMWSWCUCONZ-WDEREUQCSA-N 1 0 311.325 2.137 10 0 DEAERO COC(=O)[C@@H](C)Oc1ccc(Br)cc1C[C@@H](C)[NH3+] ZINC000043631358 183376271 /nfs/dbraw/zinc/37/62/71/183376271.db2.gz BPTGCVGRHSEFHF-RKDXNWHRSA-N 1 0 316.195 2.279 10 0 DEAERO [NH3+]C[C@H]1CCCCN1c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000044559548 183422793 /nfs/dbraw/zinc/42/27/93/183422793.db2.gz KDUBWWGEUJKXCI-LLVKDONJSA-N 1 0 304.362 2.001 10 0 DEAERO C[C@H]1[C@H](NS(=O)(=O)c2ccc(CC[NH3+])cc2)CCC[C@@H]1C ZINC000044594333 183425536 /nfs/dbraw/zinc/42/55/36/183425536.db2.gz FITIEXNYTYTTRY-WOSRLPQWSA-N 1 0 310.463 2.291 10 0 DEAERO CCC[NH+]1CCN(C(=O)C2(C(N)=S)CCCCCC2)CC1 ZINC000044773600 183438505 /nfs/dbraw/zinc/43/85/05/183438505.db2.gz HRVXRDJGOYWPDP-UHFFFAOYSA-N 1 0 311.495 2.167 10 0 DEAERO CCC[NH2+]CC(=O)NCc1cc(F)ccc1Br ZINC000044650763 183429803 /nfs/dbraw/zinc/42/98/03/183429803.db2.gz FIHALUUAXZGJBV-UHFFFAOYSA-N 1 0 303.175 2.204 10 0 DEAERO CCC[C@@H](C(N)=S)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000044842000 183441741 /nfs/dbraw/zinc/44/17/41/183441741.db2.gz ICOLNWGQQNPWIR-AWEZNQCLSA-N 1 0 311.495 2.166 10 0 DEAERO [NH3+]C1CN(C(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000159812205 197366466 /nfs/dbraw/zinc/36/64/66/197366466.db2.gz IZMNRGYBERXCTN-UHFFFAOYSA-N 1 0 323.112 2.251 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000273958843 211215124 /nfs/dbraw/zinc/21/51/24/211215124.db2.gz ZABZAGYBLGVZJR-DZGCQCFKSA-N 1 0 305.422 2.017 10 0 DEAERO Cc1cccc(OCC[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000284735280 218154724 /nfs/dbraw/zinc/15/47/24/218154724.db2.gz INZGUJDMHVCDEH-KZNAEPCWSA-N 1 0 305.418 2.236 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105233463 194088385 /nfs/dbraw/zinc/08/83/85/194088385.db2.gz GUPIQNLLSBVSHN-UHFFFAOYSA-N 1 0 323.437 2.312 10 0 DEAERO Cc1occc1CN(C)C(=O)[C@H]1CCO[C@@H]1C1CC[NH+](C)CC1 ZINC000284772252 218171327 /nfs/dbraw/zinc/17/13/27/218171327.db2.gz ZLWZDGNAAALPNH-DLBZAZTESA-N 1 0 320.433 2.293 10 0 DEAERO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000284819712 218191241 /nfs/dbraw/zinc/19/12/41/218191241.db2.gz OFZUYKFWNPHPMA-FGTMMUONSA-N 1 0 305.418 2.195 10 0 DEAERO c1cnn(CCCCC[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000105806011 194134163 /nfs/dbraw/zinc/13/41/63/194134163.db2.gz AFXCGEODIYEWAN-UHFFFAOYSA-N 1 0 314.437 2.420 10 0 DEAERO O[C@@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1c(F)cccc1F ZINC000105884164 194156644 /nfs/dbraw/zinc/15/66/44/194156644.db2.gz KDHJLBDCIATMSB-WFASDCNBSA-N 1 0 322.359 2.002 10 0 DEAERO COCC[N@@H+]1CCN(Cc2ccn(-c3ccccc3)n2)C[C@@H]1C ZINC000106106884 194185412 /nfs/dbraw/zinc/18/54/12/194185412.db2.gz HBKKIUQABTYDKN-INIZCTEOSA-N 1 0 314.433 2.025 10 0 DEAERO COCC[N@@H+]1CCN(Cc2ccn(-c3ccccc3)n2)C[C@H]1C ZINC000106106883 194186041 /nfs/dbraw/zinc/18/60/41/194186041.db2.gz HBKKIUQABTYDKN-MRXNPFEDSA-N 1 0 314.433 2.025 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCOCC1CC1 ZINC000106427207 194211367 /nfs/dbraw/zinc/21/13/67/194211367.db2.gz VHFPWPKCYOHALR-QGZVFWFLSA-N 1 0 304.434 2.092 10 0 DEAERO NC(=S)C[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000109442803 194263221 /nfs/dbraw/zinc/26/32/21/194263221.db2.gz AUXYRRNQZGMXND-UHFFFAOYSA-N 1 0 318.273 2.397 10 0 DEAERO CCS(=O)(=O)c1ccccc1N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051360474 183825411 /nfs/dbraw/zinc/82/54/11/183825411.db2.gz VOOJDGBIAJRJDS-UONOGXRCSA-N 1 0 308.447 2.201 10 0 DEAERO Fc1cccc(OCC[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000109821748 194289174 /nfs/dbraw/zinc/28/91/74/194289174.db2.gz AUIGVGXZGBPZDM-KRWDZBQOSA-N 1 0 322.424 2.391 10 0 DEAERO O=c1ccccn1CC[NH2+]Cc1ccc(Br)cc1 ZINC000110056530 194307534 /nfs/dbraw/zinc/30/75/34/194307534.db2.gz GDQAKWWUUXBMBR-UHFFFAOYSA-N 1 0 307.191 2.401 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1COC ZINC000110088922 194308909 /nfs/dbraw/zinc/30/89/09/194308909.db2.gz SNCQCOUSSWFUAZ-HNNXBMFYSA-N 1 0 321.421 2.065 10 0 DEAERO Cc1ccc(C[C@@H](C[NH2+]C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000052951678 183882069 /nfs/dbraw/zinc/88/20/69/183882069.db2.gz SKGTZXARULUPBK-HOTGVXAUSA-N 1 0 307.459 2.340 10 0 DEAERO CC1CCC2(CSC(NC[C@@H]3CCS(=O)(=O)C3)=[NH+]2)CC1 ZINC000053101437 183886989 /nfs/dbraw/zinc/88/69/89/183886989.db2.gz DZMAYNJTSVROKF-LXVYMNJGSA-N 1 0 316.492 2.062 10 0 DEAERO C[C@@H]1Cc2ccccc2N(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000110389898 194326873 /nfs/dbraw/zinc/32/68/73/194326873.db2.gz PPQZMOKGPXJXGS-HIFRSBDPSA-N 1 0 308.447 2.157 10 0 DEAERO Cc1nn(CC[NH2+]C[C@H]2CCCO2)c(C)c1Br ZINC000053535016 183905936 /nfs/dbraw/zinc/90/59/36/183905936.db2.gz CIUSHFRTRLEWMG-LLVKDONJSA-N 1 0 302.216 2.031 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCNC(=O)[C@@H]1CC ZINC000110677506 194349145 /nfs/dbraw/zinc/34/91/45/194349145.db2.gz KOHYPDMHQAXYAM-ILXRZTDVSA-N 1 0 309.841 2.329 10 0 DEAERO CC[C@H]1C[NH2+]CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000110678405 194349435 /nfs/dbraw/zinc/34/94/35/194349435.db2.gz NKYRSVSBDQNKTP-JTQLQIEISA-N 1 0 322.352 2.168 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1NCC[C@H]1CC[NH2+]C1 ZINC000110798246 194360296 /nfs/dbraw/zinc/36/02/96/194360296.db2.gz HQSJEHGUWQMWOS-SECBINFHSA-N 1 0 301.312 2.216 10 0 DEAERO C[NH2+][C@H](C)c1ccc(C)cc1OCC(=O)NCC(F)(F)F ZINC000110960313 194374620 /nfs/dbraw/zinc/37/46/20/194374620.db2.gz IZZNHCNDEINCNT-SNVBAGLBSA-N 1 0 304.312 2.333 10 0 DEAERO CCCC[C@](CC)(C[NH2+]CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000054658277 183947605 /nfs/dbraw/zinc/94/76/05/183947605.db2.gz AEDBDSNDGPKAPI-LSDHHAIUSA-N 1 0 305.484 2.244 10 0 DEAERO COc1ccc(Br)cc1Cn1cc(CC[NH3+])cn1 ZINC000054740900 183949977 /nfs/dbraw/zinc/94/99/77/183949977.db2.gz TURPOHRKAMBNKV-UHFFFAOYSA-N 1 0 310.195 2.204 10 0 DEAERO CCOCCN(CC)c1ncc(Br)cc1C[NH3+] ZINC000111123581 194393289 /nfs/dbraw/zinc/39/32/89/194393289.db2.gz BDOKPSZTXPHKSZ-UHFFFAOYSA-N 1 0 302.216 2.166 10 0 DEAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1cc(Cl)ccc1OC ZINC000055228763 183973075 /nfs/dbraw/zinc/97/30/75/183973075.db2.gz QHTXDESRXZKNIA-GFCCVEGCSA-N 1 0 305.827 2.434 10 0 DEAERO C[N@@H+](CC(=O)Nc1ccc(N)cc1Cl)CC1CCOCC1 ZINC000111156382 194396801 /nfs/dbraw/zinc/39/68/01/194396801.db2.gz WOOHVIQSGCTEKE-UHFFFAOYSA-N 1 0 311.813 2.219 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)nn1[C@@H](C)C1CC1 ZINC000329394239 291764717 /nfs/dbraw/zinc/76/47/17/291764717.db2.gz WNRVHYMDHULLKI-CFVMTHIKSA-N 1 0 304.438 2.375 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NCC2(C)CCOCC2)CC1 ZINC000535036897 284871928 /nfs/dbraw/zinc/87/19/28/284871928.db2.gz JFZVXFSWZOEOJO-UHFFFAOYSA-N 1 0 311.470 2.224 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1cccnc1 ZINC000057205843 184029737 /nfs/dbraw/zinc/02/97/37/184029737.db2.gz PJNCMDUHZDOZEA-KRWDZBQOSA-N 1 0 312.417 2.054 10 0 DEAERO CCCN[C@@](C)(CCC[N@H+](C)CCOCC)C(=O)OCC ZINC000157484057 197191237 /nfs/dbraw/zinc/19/12/37/197191237.db2.gz PWPAMXIMIAUTDZ-INIZCTEOSA-N 1 0 302.459 2.056 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccccc3)C2)C1 ZINC000057869764 184059838 /nfs/dbraw/zinc/05/98/38/184059838.db2.gz SXDRHRNSAINFNJ-SJORKVTESA-N 1 0 317.433 2.254 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NC[C@H]1CCCc2ccccc21 ZINC000535259935 284888611 /nfs/dbraw/zinc/88/86/11/284888611.db2.gz GAPZRVRZZRYBHR-MRXNPFEDSA-N 1 0 324.428 2.335 10 0 DEAERO c1nc2ncnc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2[nH]1 ZINC000059386709 184137639 /nfs/dbraw/zinc/13/76/39/184137639.db2.gz ZZUWXRIKRNRVQO-AWEZNQCLSA-N 1 0 308.389 2.429 10 0 DEAERO Cc1cc(NS(=O)(=O)c2ccc(CC[NH3+])cc2)ccc1F ZINC000061121055 184162437 /nfs/dbraw/zinc/16/24/37/184162437.db2.gz JSOHWAVVBPEDQT-UHFFFAOYSA-N 1 0 308.378 2.436 10 0 DEAERO Clc1ccc(Cc2noc(CN3CCC[NH2+]CC3)n2)cc1 ZINC000061145616 184162857 /nfs/dbraw/zinc/16/28/57/184162857.db2.gz HIFQUYSHJOVHJH-UHFFFAOYSA-N 1 0 306.797 2.109 10 0 DEAERO CC[NH2+]CCC(=O)Nc1ccccc1I ZINC000061288539 184167716 /nfs/dbraw/zinc/16/77/16/184167716.db2.gz GYHJLLNFIDJQKE-UHFFFAOYSA-N 1 0 318.158 2.229 10 0 DEAERO CCN(C(=O)c1ccc(Br)cn1)C1CC[NH2+]CC1 ZINC000061863989 184190710 /nfs/dbraw/zinc/19/07/10/184190710.db2.gz LOCVLEBFUYKTDC-UHFFFAOYSA-N 1 0 312.211 2.058 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1ccc(Cl)cc1 ZINC000061592472 184175898 /nfs/dbraw/zinc/17/58/98/184175898.db2.gz VJTHECZLEYIMRG-GHMZBOCLSA-N 1 0 312.826 2.333 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1ccc(C)cc1 ZINC000061594187 184176248 /nfs/dbraw/zinc/17/62/48/184176248.db2.gz MWCQRFZWDSTLRZ-OLZOCXBDSA-N 1 0 306.435 2.470 10 0 DEAERO CCOc1ccc(CC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061605706 184177543 /nfs/dbraw/zinc/17/75/43/184177543.db2.gz BYLTYOVMDBXGIB-UHFFFAOYSA-N 1 0 302.418 2.325 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)c1ccccc1)c1cccc(OC)c1 ZINC000061702783 184184264 /nfs/dbraw/zinc/18/42/64/184184264.db2.gz GUKPBOCYBHDVNK-MRXNPFEDSA-N 1 0 305.399 2.430 10 0 DEAERO O[C@@H]1CCN(c2cc(Br)ccc2C[NH2+]C2CC2)C1 ZINC000061711265 184184912 /nfs/dbraw/zinc/18/49/12/184184912.db2.gz ANBCHVHGHNMQRF-CYBMUJFWSA-N 1 0 311.223 2.272 10 0 DEAERO COc1ccc([C@@H]([NH3+])C[C@H](C)CC(N)=O)cc1Br ZINC000061830195 184188944 /nfs/dbraw/zinc/18/89/44/184188944.db2.gz FWXCOTCYYNWETF-KWQFWETISA-N 1 0 315.211 2.359 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)NCc1ccccc1C[NH3+] ZINC000061841356 184189286 /nfs/dbraw/zinc/18/92/86/184189286.db2.gz ZOKUCLOVJUHIHS-UHFFFAOYSA-N 1 0 308.378 2.071 10 0 DEAERO CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061941009 184197504 /nfs/dbraw/zinc/19/75/04/184197504.db2.gz XIJJTXGASOMTCZ-MGPQQGTHSA-N 1 0 307.404 2.318 10 0 DEAERO CCc1nc([C@@]2([NH2+]CCOC)CCN(C3CC3)C2)sc1C ZINC000061991995 184199570 /nfs/dbraw/zinc/19/95/70/184199570.db2.gz CRUFDRNWMHYGOK-MRXNPFEDSA-N 1 0 309.479 2.313 10 0 DEAERO Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1NS(C)(=O)=O ZINC000061982610 184199654 /nfs/dbraw/zinc/19/96/54/184199654.db2.gz IRHGSGSYIQSPAF-CYBMUJFWSA-N 1 0 309.435 2.015 10 0 DEAERO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000062028184 184202272 /nfs/dbraw/zinc/20/22/72/184202272.db2.gz NVXFJIJOBXMQLB-OLZOCXBDSA-N 1 0 309.841 2.153 10 0 DEAERO C[C@H](CN1C(=S)N=NC1c1ccccn1)C[NH+]1CCCC1 ZINC000062079510 184204665 /nfs/dbraw/zinc/20/46/65/184204665.db2.gz FRZCMBTVXMNFFX-LBPRGKRZSA-N 1 0 303.435 2.361 10 0 DEAERO CCN(Cc1ccc(Br)s1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062114574 184206454 /nfs/dbraw/zinc/20/64/54/184206454.db2.gz WTXOGGYZZFIGJN-VIFPVBQESA-N 1 0 317.252 2.469 10 0 DEAERO C[C@H](Cc1ccccc1)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000062192166 184218425 /nfs/dbraw/zinc/21/84/25/184218425.db2.gz WQRXREFLPWJHFE-SNVBAGLBSA-N 1 0 304.781 2.382 10 0 DEAERO COCCN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(Cl)cc1Cl ZINC000062210255 184220851 /nfs/dbraw/zinc/22/08/51/184220851.db2.gz SYVQMSYSVBMYKP-WCQYABFASA-N 1 0 303.189 2.241 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1c1ccccc1 ZINC000062347791 184231511 /nfs/dbraw/zinc/23/15/11/184231511.db2.gz NMDPSBMINAYHKE-HOCLYGCPSA-N 1 0 317.433 2.029 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000062960069 184262617 /nfs/dbraw/zinc/26/26/17/184262617.db2.gz OHOMMUHMZDUSIP-CQSZACIVSA-N 1 0 302.484 2.218 10 0 DEAERO COCC[NH2+]Cc1c(N(C)[C@@H](C)C2CC2)nc2sccn12 ZINC000062735989 184251076 /nfs/dbraw/zinc/25/10/76/184251076.db2.gz BOTYVCCQCZMLJH-NSHDSACASA-N 1 0 308.451 2.367 10 0 DEAERO COCC[NH2+]Cc1c(N2C[C@H]3CC[C@@H]2C3)nc2sccn12 ZINC000062737446 184252030 /nfs/dbraw/zinc/25/20/30/184252030.db2.gz OPZFFBNJQKWMFY-NWDGAFQWSA-N 1 0 306.435 2.121 10 0 DEAERO CC[C@@H]([NH3+])[C@](O)(c1ccc2c(c1)OCCCO2)C(F)(F)F ZINC000062784476 184253164 /nfs/dbraw/zinc/25/31/64/184253164.db2.gz FPOBLFNXAMOTAH-CHWSQXEVSA-N 1 0 305.296 2.335 10 0 DEAERO NC(=[NH2+])c1ccc(Cl)cc1Sc1ncnc2[nH]cnc21 ZINC000062789262 184253270 /nfs/dbraw/zinc/25/32/70/184253270.db2.gz YZFLKXJEBWAQKN-UHFFFAOYSA-N 1 0 304.766 2.442 10 0 DEAERO CCC1(C)CCN(S(=O)(=O)Cc2ccccc2C[NH3+])CC1 ZINC000062955456 184262346 /nfs/dbraw/zinc/26/23/46/184262346.db2.gz SYFRNUNRYXLUOF-UHFFFAOYSA-N 1 0 310.463 2.487 10 0 DEAERO [NH3+][C@H](CNC(=O)c1cc(Br)c[nH]1)c1ccccc1 ZINC000062837853 184255532 /nfs/dbraw/zinc/25/55/32/184255532.db2.gz KFMGLWNGIPGZNB-LLVKDONJSA-N 1 0 308.179 2.207 10 0 DEAERO CC1(C(=O)Nc2cc3c(cc2Cl)OCCO3)CC[NH2+]CC1 ZINC000062840023 184255542 /nfs/dbraw/zinc/25/55/42/184255542.db2.gz QEGBKYMCMJPXSL-UHFFFAOYSA-N 1 0 310.781 2.439 10 0 DEAERO CCC[C@@]1(CN2CCN(c3nccs3)CC2)CCC[NH2+]C1 ZINC000062861696 184257107 /nfs/dbraw/zinc/25/71/07/184257107.db2.gz QBSXGUGVQMHTSD-MRXNPFEDSA-N 1 0 308.495 2.435 10 0 DEAERO CCC[C@]1(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC[NH2+]C1 ZINC000062892793 184258353 /nfs/dbraw/zinc/25/83/53/184258353.db2.gz LEFYMQGLLHZORI-HNNXBMFYSA-N 1 0 309.797 2.157 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000062657510 184246862 /nfs/dbraw/zinc/24/68/62/184246862.db2.gz AWAJJOJSNMBJOZ-LDYMZIIASA-N 1 0 306.259 2.160 10 0 DEAERO O=S(=O)(C1CCCCC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063189817 184277286 /nfs/dbraw/zinc/27/72/86/184277286.db2.gz OGMYRGOZCGFNNH-LSDHHAIUSA-N 1 0 300.468 2.255 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1cncc(Br)c1 ZINC000063211473 184278487 /nfs/dbraw/zinc/27/84/87/184278487.db2.gz YOSHMDUSAUITQV-NEPJUHHUSA-N 1 0 312.211 2.234 10 0 DEAERO CN(C)S(=O)(=O)c1ccccc1N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063214823 184278761 /nfs/dbraw/zinc/27/87/61/184278761.db2.gz YBXBFFZVIPAJNQ-CHWSQXEVSA-N 1 0 311.451 2.009 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000063213792 184278835 /nfs/dbraw/zinc/27/88/35/184278835.db2.gz SITMCBBSDCISDH-VXGBXAGGSA-N 1 0 320.817 2.417 10 0 DEAERO CN(C)S(=O)(=O)c1ccc(N[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000063214773 184279044 /nfs/dbraw/zinc/27/90/44/184279044.db2.gz WIEKOVDVHFLKOT-LSDHHAIUSA-N 1 0 311.451 2.009 10 0 DEAERO CCOc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000063213715 184279050 /nfs/dbraw/zinc/27/90/50/184279050.db2.gz ZNJZZBGIZPRGRC-CABCVRRESA-N 1 0 312.435 2.024 10 0 DEAERO COC(=O)N[C@H](CC(C)C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000063289848 184280208 /nfs/dbraw/zinc/28/02/08/184280208.db2.gz VVLDYFHAXVVGNS-OAHLLOKOSA-N 1 0 321.421 2.457 10 0 DEAERO C[NH+](C)[C@H]1CCN(CCOc2ccc(Br)cc2)C1 ZINC000062967773 184263583 /nfs/dbraw/zinc/26/35/83/184263583.db2.gz NZJDSIZONYOUJH-ZDUSSCGKSA-N 1 0 313.239 2.464 10 0 DEAERO Clc1nc(Cl)nc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000062983401 184264171 /nfs/dbraw/zinc/26/41/71/184264171.db2.gz MZEFYMUIZMNHID-SECBINFHSA-N 1 0 302.209 2.243 10 0 DEAERO CCC[NH2+]Cc1ccc(OC)c(OCCCS(C)(=O)=O)c1 ZINC000063014339 184266540 /nfs/dbraw/zinc/26/65/40/184266540.db2.gz ZYONUZKFAXNHAU-UHFFFAOYSA-N 1 0 315.435 2.008 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)Cc1cccc(OC)c1 ZINC000063017073 184267049 /nfs/dbraw/zinc/26/70/49/184267049.db2.gz XTRIOOUKXJDGLI-OAHLLOKOSA-N 1 0 313.463 2.431 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)Cc1nc(C)cs1 ZINC000063017345 184267128 /nfs/dbraw/zinc/26/71/28/184267128.db2.gz NNENZRJPTDAUBI-GFCCVEGCSA-N 1 0 304.481 2.187 10 0 DEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)NCCC(F)(F)F)c1 ZINC000063101544 184271187 /nfs/dbraw/zinc/27/11/87/184271187.db2.gz NXZGBNNHGOLDBG-SECBINFHSA-N 1 0 310.341 2.198 10 0 DEAERO CS(=O)(=O)c1ccc(SCc2cccnc2C[NH3+])cc1 ZINC000063131527 184272162 /nfs/dbraw/zinc/27/21/62/184272162.db2.gz CEHNSBBQWPYCTD-UHFFFAOYSA-N 1 0 308.428 2.236 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1ccc(S(C)(=O)=O)cc1)C(F)(F)F ZINC000063131284 184272202 /nfs/dbraw/zinc/27/22/02/184272202.db2.gz PHLOCQCRPFJBNT-OIBJUYFYSA-N 1 0 313.366 2.460 10 0 DEAERO CS(=O)(=O)c1ccc(S[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000063131522 184272206 /nfs/dbraw/zinc/27/22/06/184272206.db2.gz JKKCLJUDQPAOTJ-SNVBAGLBSA-N 1 0 313.366 2.462 10 0 DEAERO CC1CCC(CNS(=O)(=O)Cc2ccccc2C[NH3+])CC1 ZINC000063146006 184273562 /nfs/dbraw/zinc/27/35/62/184273562.db2.gz ZGCLJWTXWYUGGQ-UHFFFAOYSA-N 1 0 310.463 2.391 10 0 DEAERO CC[NH2+][C@@H](C)c1ccccc1NS(=O)(=O)C[C@@H]1CCCO1 ZINC000063155743 184274792 /nfs/dbraw/zinc/27/47/92/184274792.db2.gz COQQGIATUQZSGD-STQMWFEESA-N 1 0 312.435 2.278 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000063168223 184275661 /nfs/dbraw/zinc/27/56/61/184275661.db2.gz WQOIGYMSGDHIMO-OAHLLOKOSA-N 1 0 310.463 2.374 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1cc(Br)cn1C1CC1 ZINC000063172551 184276123 /nfs/dbraw/zinc/27/61/23/184276123.db2.gz IMGMQQQZVDLUQG-WDEREUQCSA-N 1 0 312.211 2.195 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000063174856 184276333 /nfs/dbraw/zinc/27/63/33/184276333.db2.gz YFYQHLPXPVNWFL-QWRGUYRKSA-N 1 0 309.218 2.152 10 0 DEAERO COC(=O)CC[NH+]1CCN(Cc2ccc(SC)cc2)CC1 ZINC000063996266 184291417 /nfs/dbraw/zinc/29/14/17/184291417.db2.gz JCVJRNJEJJLLHT-UHFFFAOYSA-N 1 0 308.447 2.089 10 0 DEAERO CCCNc1nc(CC[NH+](C)C)nc(C)c1Br ZINC000158737756 197297662 /nfs/dbraw/zinc/29/76/62/197297662.db2.gz YUOCNYQHEBTCPH-UHFFFAOYSA-N 1 0 301.232 2.474 10 0 DEAERO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)[C@H](C)OC)c1 ZINC000555121645 291787148 /nfs/dbraw/zinc/78/71/48/291787148.db2.gz GRSOEBHIBXDTPS-UPJWGTAASA-N 1 0 322.405 2.122 10 0 DEAERO C[N@@H+]1CCC2(C1)CCN(C(=O)CCc1ccc(O)cc1)CC2 ZINC000065371491 184329979 /nfs/dbraw/zinc/32/99/79/184329979.db2.gz IYHRNEQULFQNBG-UHFFFAOYSA-N 1 0 302.418 2.269 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)c1coc(-c2ccccc2)n1 ZINC000536017488 284929353 /nfs/dbraw/zinc/92/93/53/284929353.db2.gz KDMGMNPGVSLFLF-UHFFFAOYSA-N 1 0 308.341 2.000 10 0 DEAERO O=C1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)CCN1 ZINC000065954586 184383546 /nfs/dbraw/zinc/38/35/46/184383546.db2.gz QDIUCMSHLXWZPN-UHFFFAOYSA-N 1 0 316.323 2.296 10 0 DEAERO O=C(Nc1ccccc1OC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000066152539 184393787 /nfs/dbraw/zinc/39/37/87/184393787.db2.gz MYUWRTNRGZAKKA-CQSZACIVSA-N 1 0 304.390 2.183 10 0 DEAERO CNC(=O)c1cccc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000185420690 207365493 /nfs/dbraw/zinc/36/54/93/207365493.db2.gz MYVFTSZPIRWUMK-AWEZNQCLSA-N 1 0 317.433 2.041 10 0 DEAERO OCC[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000188002751 207369736 /nfs/dbraw/zinc/36/97/36/207369736.db2.gz KKMDDVQDXHUNDT-SJLPKXTDSA-N 1 0 303.450 2.187 10 0 DEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)CSC)cc1 ZINC000069456627 184516799 /nfs/dbraw/zinc/51/67/99/184516799.db2.gz HYSMLQRAACDOEM-VXGBXAGGSA-N 1 0 316.492 2.244 10 0 DEAERO CSc1nc(C2CC2)nc(C)c1C(=O)N(C)CCC[NH+](C)C ZINC000537214854 284987226 /nfs/dbraw/zinc/98/72/26/284987226.db2.gz AALCMRKCXKRXTB-UHFFFAOYSA-N 1 0 322.478 2.408 10 0 DEAERO CC(=O)N1CC[N@H+](CCN2CCCc3ccccc32)C(C)(C)C1 ZINC000538279581 285030299 /nfs/dbraw/zinc/03/02/99/285030299.db2.gz NUIGMBCZKUSQEO-UHFFFAOYSA-N 1 0 315.461 2.382 10 0 DEAERO Cc1csc(NC(=O)C[N@@H+]2CCC[C@H]2C2CCOCC2)n1 ZINC000538627609 285042222 /nfs/dbraw/zinc/04/22/22/285042222.db2.gz IWMOFTOPAHMUIH-ZDUSSCGKSA-N 1 0 309.435 2.281 10 0 DEAERO COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000119792461 195038279 /nfs/dbraw/zinc/03/82/79/195038279.db2.gz CZMGRAQSGUTQPD-ZIAGYGMSSA-N 1 0 318.417 2.019 10 0 DEAERO CC[C@@H]1CCC[C@H]1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000539079335 285069134 /nfs/dbraw/zinc/06/91/34/285069134.db2.gz XXIJYZNEPVYKBH-NVXWUHKLSA-N 1 0 307.482 2.099 10 0 DEAERO C[C@H](CNC(=O)N1CCO[C@@H](c2cccs2)C1)[N@H+](C)C1CC1 ZINC000120166192 195110666 /nfs/dbraw/zinc/11/06/66/195110666.db2.gz QKKLIMBQFRXJOM-TZMCWYRMSA-N 1 0 323.462 2.314 10 0 DEAERO c1nc(N2CCCC2)ncc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000539893987 285098795 /nfs/dbraw/zinc/09/87/95/285098795.db2.gz FGHLSVQITHZTID-IRXDYDNUSA-N 1 0 316.449 2.325 10 0 DEAERO CC[NH2+][C@H](CSC)c1c(Br)cnn1CCOC ZINC000159277072 197341852 /nfs/dbraw/zinc/34/18/52/197341852.db2.gz YQDICOXCWHVZLP-SNVBAGLBSA-N 1 0 322.272 2.306 10 0 DEAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC000540157915 285111492 /nfs/dbraw/zinc/11/14/92/285111492.db2.gz OPACUKRYSOMCEQ-KGLIPLIRSA-N 1 0 305.422 2.458 10 0 DEAERO CC(C)NC(=O)[C@H](C[NH3+])Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159198490 197335214 /nfs/dbraw/zinc/33/52/14/197335214.db2.gz ANUQBUPVSFFWFI-JTQLQIEISA-N 1 0 306.303 2.487 10 0 DEAERO CCC[NH2+][C@@H](CSc1nnc(N(C)C)s1)[C@H]1CCOC1 ZINC000159171964 197332962 /nfs/dbraw/zinc/33/29/62/197332962.db2.gz ASWOEIGCSMXLIB-QWRGUYRKSA-N 1 0 316.496 2.101 10 0 DEAERO COCCOCCCC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000159097520 197326551 /nfs/dbraw/zinc/32/65/51/197326551.db2.gz WSVYPRFYGQHWSH-HNNXBMFYSA-N 1 0 301.814 2.406 10 0 DEAERO C[C@@H]([C@@H](O)c1c(Br)cnn1CC[NH+](C)C)C1CC1 ZINC000158856495 197306107 /nfs/dbraw/zinc/30/61/07/197306107.db2.gz AURLOYXPMFCPMH-NOZJJQNGSA-N 1 0 316.243 2.287 10 0 DEAERO [NH3+][C@H](CSc1ncccc1Br)[C@@H]1CCOC1 ZINC000158783442 197300697 /nfs/dbraw/zinc/30/06/97/197300697.db2.gz YPCKJABADLIGJX-PSASIEDQSA-N 1 0 303.225 2.300 10 0 DEAERO CC[NH2+][C@@H](c1c(Br)cnn1CCOC)C1CC1 ZINC000158769387 197300005 /nfs/dbraw/zinc/30/00/05/197300005.db2.gz OGOBYJRHBUYYJC-LLVKDONJSA-N 1 0 302.216 2.353 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)ccc1Cl ZINC000158757799 197299242 /nfs/dbraw/zinc/29/92/42/197299242.db2.gz XFCKWHDQTRNYHT-GHMZBOCLSA-N 1 0 314.838 2.219 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)ccc1C ZINC000158749350 197298430 /nfs/dbraw/zinc/29/84/30/197298430.db2.gz OQVPGZATQRNVNC-OKILXGFUSA-N 1 0 308.447 2.135 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)c1ccc(F)cc1)[C@H]1CCOC1 ZINC000158729327 197296973 /nfs/dbraw/zinc/29/69/73/197296973.db2.gz GHWDWXUVYDESIX-WFASDCNBSA-N 1 0 315.410 2.004 10 0 DEAERO [NH3+]C[C@H](c1ccccc1Br)[C@@H](O)c1ncccn1 ZINC000158517583 197280816 /nfs/dbraw/zinc/28/08/16/197280816.db2.gz BHILSIIIXYBRPT-ZYHUDNBSSA-N 1 0 308.179 2.015 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000158330184 197263578 /nfs/dbraw/zinc/26/35/78/197263578.db2.gz XDHJOXSMRNEMGB-UHFFFAOYSA-N 1 0 319.327 2.094 10 0 DEAERO [NH3+]Cc1cc(C(F)(F)F)ccc1NS(=O)(=O)CC1CC1 ZINC000158317759 197261356 /nfs/dbraw/zinc/26/13/56/197261356.db2.gz LYTFLDPNRYAIPR-UHFFFAOYSA-N 1 0 308.325 2.316 10 0 DEAERO CCS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000158306512 197260978 /nfs/dbraw/zinc/26/09/78/197260978.db2.gz IDBZOSKGBVRMMF-CQSZACIVSA-N 1 0 312.479 2.475 10 0 DEAERO COC(=O)c1c(NC(=O)C[C@H](C)C[NH3+])sc2c1CCCC2 ZINC000158250549 197256771 /nfs/dbraw/zinc/25/67/71/197256771.db2.gz IZWAZJFFAVSUDB-VIFPVBQESA-N 1 0 310.419 2.337 10 0 DEAERO CC(C)(C)[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000158241730 197255714 /nfs/dbraw/zinc/25/57/14/197255714.db2.gz USPVPZZEEWMOTJ-LBPRGKRZSA-N 1 0 307.785 2.233 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2O[C@H]2CCOC2)C1 ZINC000120300420 195138858 /nfs/dbraw/zinc/13/88/58/195138858.db2.gz NUPYAMOTQOQFTL-KGLIPLIRSA-N 1 0 319.405 2.022 10 0 DEAERO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCCCC(F)(F)F)C1(C)C ZINC000157513137 197192795 /nfs/dbraw/zinc/19/27/95/197192795.db2.gz ZDFUTQLWRFUVPE-GWCFXTLKSA-N 1 0 310.360 2.368 10 0 DEAERO [NH3+]Cc1cccc(-c2csc([C@H]3CCS(=O)(=O)C3)n2)c1 ZINC000157549540 197196821 /nfs/dbraw/zinc/19/68/21/197196821.db2.gz QLMOQGIQSXDEFK-LBPRGKRZSA-N 1 0 308.428 2.171 10 0 DEAERO COc1nc2sccn2c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157423191 197186158 /nfs/dbraw/zinc/18/61/58/197186158.db2.gz DKGGRFCNWFXBOL-VXGBXAGGSA-N 1 0 306.435 2.121 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(OC)c(F)c1)[C@@H](C)S(C)(=O)=O ZINC000157283867 197176696 /nfs/dbraw/zinc/17/66/96/197176696.db2.gz GVYJRDSVVTZKHW-BXUZGUMPSA-N 1 0 317.426 2.178 10 0 DEAERO CC(C)OCC[N@H+](C)CCCOc1cccc(C(N)=S)c1 ZINC000157255164 197174637 /nfs/dbraw/zinc/17/46/37/197174637.db2.gz KOHITLYPZRDQEM-UHFFFAOYSA-N 1 0 310.463 2.447 10 0 DEAERO Cc1oc(C)c(S(=O)(=O)N(C)C2CCC2)c1C[NH2+]C1CC1 ZINC000157234008 197171690 /nfs/dbraw/zinc/17/16/90/197171690.db2.gz BOUBJYSVLOOHHQ-UHFFFAOYSA-N 1 0 312.435 2.321 10 0 DEAERO C[C@@H](O)C1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000157192097 197169150 /nfs/dbraw/zinc/16/91/50/197169150.db2.gz RIQCSIIGBZSHQD-CYBMUJFWSA-N 1 0 311.470 2.052 10 0 DEAERO CCCNc1nnc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)s1 ZINC000157056923 197158820 /nfs/dbraw/zinc/15/88/20/197158820.db2.gz UWHZFBBDZXPFRG-QWHCGFSZSA-N 1 0 309.483 2.419 10 0 DEAERO c1csc(N2CCN(Cc3ccc4c(c3)C[NH2+]C4)CC2)n1 ZINC000156655792 197131444 /nfs/dbraw/zinc/13/14/44/197131444.db2.gz XFWBSWKXCBMVCK-UHFFFAOYSA-N 1 0 300.431 2.069 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(F)c2Br)C1 ZINC000156584007 197125586 /nfs/dbraw/zinc/12/55/86/197125586.db2.gz ALZFUACUXVNZIH-VIFPVBQESA-N 1 0 315.186 2.364 10 0 DEAERO CN(C)c1nc(CN2CC[NH+](CCC(C)(C)C)CC2)ns1 ZINC000156289011 197101687 /nfs/dbraw/zinc/10/16/87/197101687.db2.gz REDNDLJHMHMPFY-UHFFFAOYSA-N 1 0 311.499 2.158 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1Br ZINC000155985453 197078072 /nfs/dbraw/zinc/07/80/72/197078072.db2.gz BDVKHUMDRIKLJB-UWVGGRQHSA-N 1 0 301.159 2.198 10 0 DEAERO C[C@H]1C[C@@H](Nc2cc(S(C)(=O)=O)ccc2F)CC[N@@H+]1C ZINC000155931322 197075714 /nfs/dbraw/zinc/07/57/14/197075714.db2.gz JGDPOTSNEQHEAR-QWRGUYRKSA-N 1 0 300.399 2.124 10 0 DEAERO CCOc1ccc(OCC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1 ZINC000155360660 197047503 /nfs/dbraw/zinc/04/75/03/197047503.db2.gz VCDSUZFHJKDHPZ-KBPBESRZSA-N 1 0 306.406 2.015 10 0 DEAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCCS(C)(=O)=O)C2)cc1 ZINC000155281872 197039651 /nfs/dbraw/zinc/03/96/51/197039651.db2.gz RPCUELNDHWZASS-UKRRQHHQSA-N 1 0 311.447 2.308 10 0 DEAERO COc1cc(C)c(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1OC ZINC000155174144 197029654 /nfs/dbraw/zinc/02/96/54/197029654.db2.gz GRDPAUIOUYISRX-BETUJISGSA-N 1 0 306.406 2.177 10 0 DEAERO CCNC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)nc1 ZINC000154928632 197005578 /nfs/dbraw/zinc/00/55/78/197005578.db2.gz JVZJZKFXOZDUNR-AWEZNQCLSA-N 1 0 316.449 2.284 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245458710 285241770 /nfs/dbraw/zinc/24/17/70/285241770.db2.gz CZXFOYCTTSIBAQ-VQHPVUNQSA-N 1 0 309.498 2.486 10 0 DEAERO CCC(=O)Nc1cccc(CNC(=O)N(C)CCC[NH+](C)C)c1 ZINC000542714647 285245004 /nfs/dbraw/zinc/24/50/04/285245004.db2.gz OPHHTYHNVZSYKA-UHFFFAOYSA-N 1 0 320.437 2.128 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2cccc(N(C)C)c2)C1 ZINC000151451189 285265097 /nfs/dbraw/zinc/26/50/97/285265097.db2.gz AVICVABQRDGQNC-INIZCTEOSA-N 1 0 318.465 2.378 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000120580152 195195375 /nfs/dbraw/zinc/19/53/75/195195375.db2.gz GVMSAQUFLBMQMC-OCCSQVGLSA-N 1 0 321.396 2.014 10 0 DEAERO COc1ccc2oc(CN3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)cc2c1 ZINC000120672383 195212708 /nfs/dbraw/zinc/21/27/08/195212708.db2.gz IKPAJZTZIRRQLH-UONOGXRCSA-N 1 0 318.417 2.328 10 0 DEAERO Cc1ccc(-c2n[nH]cc2CN(C)CC(=O)NC(C)(C)C)o1 ZINC000120653729 195209331 /nfs/dbraw/zinc/20/93/31/195209331.db2.gz SGJQGAZLQZDFFR-UHFFFAOYSA-N 1 0 304.394 2.325 10 0 DEAERO COCC[N@@H+]1CCN(Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000120850524 195250079 /nfs/dbraw/zinc/25/00/79/195250079.db2.gz NYJPSYQPZXYYHE-NSHDSACASA-N 1 0 302.340 2.256 10 0 DEAERO C[C@@H]([NH2+]CCc1cn[nH]c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000289612229 221102276 /nfs/dbraw/zinc/10/22/76/221102276.db2.gz DDTDENZWARNHHN-OCCSQVGLSA-N 1 0 308.426 2.187 10 0 DEAERO CC[C@@H]1CN(Cc2ccc(NC(C)=O)cc2)CC[N@@H+]1CCOC ZINC000120935025 195267346 /nfs/dbraw/zinc/26/73/46/195267346.db2.gz ZFNJTMIWAKVMFE-GOSISDBHSA-N 1 0 319.449 2.188 10 0 DEAERO c1ccc(OC2CC2)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000289978429 221356352 /nfs/dbraw/zinc/35/63/52/221356352.db2.gz JNGVUVULKKJLBB-INIZCTEOSA-N 1 0 316.445 2.382 10 0 DEAERO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2cccs2)N1CC1CCOCC1 ZINC000248002647 257111934 /nfs/dbraw/zinc/11/19/34/257111934.db2.gz RNWDTCJJAUYQOI-JKSUJKDBSA-N 1 0 320.458 2.350 10 0 DEAERO COc1ccc(C[N@@H+]2C[C@@H]3CN(c4cccnc4)C(=O)[C@@H]3C2)cc1 ZINC000247902600 257115420 /nfs/dbraw/zinc/11/54/20/257115420.db2.gz RHLCINPIWZPGFK-CRAIPNDOSA-N 1 0 323.396 2.185 10 0 DEAERO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CC[N@@H+]3Cc2ccoc2)n1 ZINC000247855564 257116220 /nfs/dbraw/zinc/11/62/20/257116220.db2.gz CPKIDVARYAFFSX-SJORKVTESA-N 1 0 311.385 2.358 10 0 DEAERO O=C([C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]2OCC[C@@H]21)N1CCCC1 ZINC000247795836 257116970 /nfs/dbraw/zinc/11/69/70/257116970.db2.gz RDCPTJIUZLBWMQ-OAGGEKHMSA-N 1 0 320.458 2.207 10 0 DEAERO Cc1ccsc1C[N@@H+]1C[C@@H]2OC[C@H](CN3CCCC3=O)[C@@H]2C1 ZINC000253599839 257104381 /nfs/dbraw/zinc/10/43/81/257104381.db2.gz VHHTZTVGWSEESK-KKUMJFAQSA-N 1 0 320.458 2.126 10 0 DEAERO CC[NH+](CC)CC1CCN(c2nc(C)cc(C(=O)OC)n2)CC1 ZINC000561135732 291953254 /nfs/dbraw/zinc/95/32/54/291953254.db2.gz HVSDXCYKKVHSBV-UHFFFAOYSA-N 1 0 320.437 2.130 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)Oc1ccccc1 ZINC000074010943 184950873 /nfs/dbraw/zinc/95/08/73/184950873.db2.gz OQGRBBZJXODHES-HUUCEWRRSA-N 1 0 307.438 2.483 10 0 DEAERO Cc1ccsc1C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000121564201 195307079 /nfs/dbraw/zinc/30/70/79/195307079.db2.gz TUZHNJZOMJDWNO-UHFFFAOYSA-N 1 0 304.463 2.498 10 0 DEAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000121879900 195366571 /nfs/dbraw/zinc/36/65/71/195366571.db2.gz JQGNRIAELBKQST-LLVKDONJSA-N 1 0 316.492 2.370 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000121908356 195372458 /nfs/dbraw/zinc/37/24/58/195372458.db2.gz BZMXXSQVGAMYCJ-MRXNPFEDSA-N 1 0 318.465 2.076 10 0 DEAERO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cncnc3)C2)n1 ZINC000121982287 195385445 /nfs/dbraw/zinc/38/54/45/195385445.db2.gz PCDRFMXQOXSFKL-OAHLLOKOSA-N 1 0 311.389 2.031 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000122206372 195418555 /nfs/dbraw/zinc/41/85/55/195418555.db2.gz XHKMANVDSATQNV-OCCSQVGLSA-N 1 0 304.415 2.198 10 0 DEAERO COC[C@H](C)NC(=O)CSc1ccc(C[NH2+]C2CC2)cc1 ZINC000124218363 195617548 /nfs/dbraw/zinc/61/75/48/195617548.db2.gz WDDVBHSXVKDKTG-LBPRGKRZSA-N 1 0 308.447 2.182 10 0 DEAERO CC(C)c1nnsc1C(=O)NCC[C@@H]([NH3+])c1ccccc1 ZINC000124518882 195650395 /nfs/dbraw/zinc/65/03/95/195650395.db2.gz MJTTUEKWIBYHJD-GFCCVEGCSA-N 1 0 304.419 2.481 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@]1(C[NH3+])CCO[C@H]1C ZINC000124993911 195701183 /nfs/dbraw/zinc/70/11/83/195701183.db2.gz XYYYPSIDJYQSEU-GXFFZTMASA-N 1 0 316.243 2.270 10 0 DEAERO CCC[C@@H](C[NH2+]C(C)(C)C)OCCOCCOCCOC ZINC000127137643 195851492 /nfs/dbraw/zinc/85/14/92/195851492.db2.gz TZVKXXJGAQTJQD-HNNXBMFYSA-N 1 0 305.459 2.239 10 0 DEAERO COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000127914492 195921414 /nfs/dbraw/zinc/92/14/14/195921414.db2.gz WQJGJWOHTSIWPN-CQSZACIVSA-N 1 0 319.449 2.357 10 0 DEAERO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](CC(N)=O)CC1 ZINC000299746213 533269330 /nfs/dbraw/zinc/26/93/30/533269330.db2.gz VUOQVNNSEAKYNO-ZDUSSCGKSA-N 1 0 301.390 2.044 10 0 DEAERO C(COC1CCCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261874483 533367217 /nfs/dbraw/zinc/36/72/17/533367217.db2.gz DLQYXNDNVYVYCG-KURKYZTESA-N 1 0 310.482 2.473 10 0 DEAERO C[NH2+]CCCNC(=O)c1ccccc1SCc1nc(C)no1 ZINC000121259680 132152605 /nfs/dbraw/zinc/15/26/05/132152605.db2.gz ATSXCDZEAFLWPQ-UHFFFAOYSA-N 1 0 320.418 2.010 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)[C@@H]1C ZINC000262534885 296484760 /nfs/dbraw/zinc/48/47/60/296484760.db2.gz QFDVHGYPMUONGC-DEHPNPAASA-N 1 0 308.466 2.460 10 0 DEAERO O=C(NCCc1ccsc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174163572 132507410 /nfs/dbraw/zinc/50/74/10/132507410.db2.gz GGTYIOWQZBEVFG-OAHLLOKOSA-N 1 0 307.463 2.418 10 0 DEAERO COc1cccc(F)c1[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000174355551 132508695 /nfs/dbraw/zinc/50/86/95/132508695.db2.gz DZUNFBSJBVBVJM-RYUDHWBXSA-N 1 0 309.385 2.289 10 0 DEAERO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCO1 ZINC000175632584 132514369 /nfs/dbraw/zinc/51/43/69/132514369.db2.gz NFQQZLXEJUHWHQ-XJKSGUPXSA-N 1 0 309.454 2.260 10 0 DEAERO O=C(c1c(O)cnc2ccccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000176570201 132520995 /nfs/dbraw/zinc/52/09/95/132520995.db2.gz HVZRTHCCMLHNLR-CYBMUJFWSA-N 1 0 311.385 2.251 10 0 DEAERO c1ccc(OCCOCCN2CC[NH+](C3CCC3)CC2)cc1 ZINC000355327568 133017553 /nfs/dbraw/zinc/01/75/53/133017553.db2.gz CZIAOMMTOJLCQN-UHFFFAOYSA-N 1 0 304.434 2.252 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@@H](C)c2ccncc2)CC1 ZINC000358183498 133126503 /nfs/dbraw/zinc/12/65/03/133126503.db2.gz FDFWFOKOWCKBDW-HNNXBMFYSA-N 1 0 302.422 2.436 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc2ncnn21 ZINC000359802691 133146174 /nfs/dbraw/zinc/14/61/74/133146174.db2.gz XPDDHZXMYTYAOM-CQSZACIVSA-N 1 0 315.421 2.114 10 0 DEAERO C[C@H]1CCOCC[N@@H+]1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000362235385 133218690 /nfs/dbraw/zinc/21/86/90/133218690.db2.gz KMMBHCKRMJESEH-UONOGXRCSA-N 1 0 304.390 2.018 10 0 DEAERO COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000362462646 133231880 /nfs/dbraw/zinc/23/18/80/133231880.db2.gz GWPWPICEGALJDU-ZIAGYGMSSA-N 1 0 322.405 2.074 10 0 DEAERO c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cnc([C@@H]3CCCO3)s1)CC2 ZINC000368258167 133266866 /nfs/dbraw/zinc/26/68/66/133266866.db2.gz IYHMZRVRQWUCRA-HZMBPMFUSA-N 1 0 304.419 2.365 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)c2ccc(F)cc2C1 ZINC000368402917 133272251 /nfs/dbraw/zinc/27/22/51/133272251.db2.gz OVYMSQSGPXSUGG-FDQGKXFDSA-N 1 0 318.392 2.146 10 0 DEAERO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COC2CCOCC2)o1 ZINC000368549490 133277610 /nfs/dbraw/zinc/27/76/10/133277610.db2.gz QCRYAFWYURYLBX-ZBFHGGJFSA-N 1 0 309.406 2.281 10 0 DEAERO Cc1cc(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)on1 ZINC000376392004 133292905 /nfs/dbraw/zinc/29/29/05/133292905.db2.gz PNWWLGCHSROMRG-INIZCTEOSA-N 1 0 305.422 2.439 10 0 DEAERO COC(=O)CC1(CC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000372682750 133362304 /nfs/dbraw/zinc/36/23/04/133362304.db2.gz DPNRZRIZZWLZKM-LSDHHAIUSA-N 1 0 322.449 2.243 10 0 DEAERO C([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1nnc2n1CCCC2 ZINC000547397039 285571139 /nfs/dbraw/zinc/57/11/39/285571139.db2.gz CLANFBNGDVIXST-RRFJBIMHSA-N 1 0 304.438 2.299 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000548645562 285771087 /nfs/dbraw/zinc/77/10/87/285771087.db2.gz FOTKJJPHKAIODS-ZDUSSCGKSA-N 1 0 310.463 2.248 10 0 DEAERO C[C@@H]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344986520 404485067 /nfs/dbraw/zinc/48/50/67/404485067.db2.gz DFNRXBFXIOPFSI-AYBZRNKSSA-N 1 0 316.445 2.176 10 0 DEAERO O=C(NCCCOC1CCCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173542799 144844186 /nfs/dbraw/zinc/84/41/86/144844186.db2.gz SBJKUNKRGKGQQF-MRXNPFEDSA-N 1 0 321.465 2.382 10 0 DEAERO CCC[C@@H](C(=O)N1CCc2c(cccc2NC(C)=O)C1)[NH+](C)C ZINC000178651155 144862558 /nfs/dbraw/zinc/86/25/58/144862558.db2.gz WVHBVZXSTPIGLP-KRWDZBQOSA-N 1 0 317.433 2.260 10 0 DEAERO CCOC(C)(C)CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000187648504 145001973 /nfs/dbraw/zinc/00/19/73/145001973.db2.gz CCJPCSUYDDAHJU-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H](CO)CC(C)C ZINC000188407300 145011762 /nfs/dbraw/zinc/01/17/62/145011762.db2.gz MEEPDLZHKCQGPY-CABCVRRESA-N 1 0 301.475 2.011 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000188534893 145013361 /nfs/dbraw/zinc/01/33/61/145013361.db2.gz GUBXVEZLMHASEW-HOTGVXAUSA-N 1 0 313.486 2.155 10 0 DEAERO CCC[NH+]1CCC(N(C)C(=O)c2cc(O)ccc2OC)CC1 ZINC000188665731 145015880 /nfs/dbraw/zinc/01/58/80/145015880.db2.gz NFIMPVWLRUROIL-UHFFFAOYSA-N 1 0 306.406 2.347 10 0 DEAERO COc1ccc(O)cc1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000188759525 145017202 /nfs/dbraw/zinc/01/72/02/145017202.db2.gz LFCBGYOESBTWGR-MGPQQGTHSA-N 1 0 320.433 2.497 10 0 DEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(F)nc3)C2)n1 ZINC000189342528 145026151 /nfs/dbraw/zinc/02/61/51/145026151.db2.gz JIGNOXNXYKXCGX-OAHLLOKOSA-N 1 0 303.385 2.341 10 0 DEAERO CCOc1ccc(CC(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000190742134 145047011 /nfs/dbraw/zinc/04/70/11/145047011.db2.gz KADXTDRRDQREIF-OAHLLOKOSA-N 1 0 302.418 2.371 10 0 DEAERO O=C(c1ccc(-c2ncon2)cc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190746323 145047719 /nfs/dbraw/zinc/04/77/19/145047719.db2.gz LBBSCAPLJKAKCS-AWEZNQCLSA-N 1 0 312.373 2.093 10 0 DEAERO O[C@@H](CC1CCCC1)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000191343514 145056304 /nfs/dbraw/zinc/05/63/04/145056304.db2.gz LFFOJPDEFVOUGB-HOTGVXAUSA-N 1 0 318.465 2.345 10 0 DEAERO C[C@H]([NH3+])[C@H](C)C(=O)/N=c1/sccn1Cc1ccccc1F ZINC000192086082 145070722 /nfs/dbraw/zinc/07/07/22/145070722.db2.gz TTWJYBOBNMWVCD-JUIQWEOTSA-N 1 0 307.394 2.148 10 0 DEAERO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3C)cn2)C[C@H](C)O1 ZINC000192476727 145073842 /nfs/dbraw/zinc/07/38/42/145073842.db2.gz UCJYNFDSQIGGIV-LJIGWXMPSA-N 1 0 319.449 2.210 10 0 DEAERO Cc1csc2c1ncnc2NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000192558914 145075199 /nfs/dbraw/zinc/07/51/99/145075199.db2.gz RGQGEQCRNDKQNZ-GFCCVEGCSA-N 1 0 305.451 2.048 10 0 DEAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)NCCc1ccc(F)cc1 ZINC000193128663 145083039 /nfs/dbraw/zinc/08/30/39/145083039.db2.gz WMHQSRWFQYLASL-XEZPLFJOSA-N 1 0 308.397 2.030 10 0 DEAERO CCc1ccc(NC(=O)[C@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000193654636 145088947 /nfs/dbraw/zinc/08/89/47/145088947.db2.gz JXTZGGALAKCMNH-CWRNSKLLSA-N 1 0 301.434 2.069 10 0 DEAERO C[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246129218 145093162 /nfs/dbraw/zinc/09/31/62/145093162.db2.gz MCXNOXXKJRFKSP-RHSMWYFYSA-N 1 0 324.852 2.371 10 0 DEAERO Cc1nc(NC(=O)[C@H](C)N2CC[N@@H+]3CCCC[C@H]3C2)sc1C ZINC000246200682 145094828 /nfs/dbraw/zinc/09/48/28/145094828.db2.gz NNUSNGNUEXOONP-JSGCOSHPSA-N 1 0 322.478 2.257 10 0 DEAERO C[C@H](C(=O)Nc1cc(F)ccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246215910 145095331 /nfs/dbraw/zinc/09/53/31/145095331.db2.gz PQVJSXZGAFQREA-OCCSQVGLSA-N 1 0 323.387 2.462 10 0 DEAERO C[C@H](C(=O)NCc1ccccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246221348 145095417 /nfs/dbraw/zinc/09/54/17/145095417.db2.gz QKEKFJKKRVZJIO-ZBFHGGJFSA-N 1 0 319.424 2.001 10 0 DEAERO C[C@@H](C(=O)N1CCc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246270395 145096640 /nfs/dbraw/zinc/09/66/40/145096640.db2.gz ZUPILNVDMQVMPC-RDJZCZTQSA-N 1 0 313.445 2.134 10 0 DEAERO CCCCO[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C1(C)C ZINC000246322544 145098593 /nfs/dbraw/zinc/09/85/93/145098593.db2.gz AQQDGKZZDPUTRK-RBSFLKMASA-N 1 0 311.470 2.316 10 0 DEAERO COC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000246380395 145100755 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/nfs/dbraw/zinc/27/55/10/145275510.db2.gz PZYFPBRJAJEBAN-GXFFZTMASA-N 1 0 316.323 2.261 10 0 DEAERO C[C@@H](C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)C1C[NH2+]C1 ZINC000262472427 145285705 /nfs/dbraw/zinc/28/57/05/145285705.db2.gz YLXMUTWAQSTBRW-BMIGLBTASA-N 1 0 314.389 2.208 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc(F)cc1F ZINC000262498276 145288189 /nfs/dbraw/zinc/28/81/89/145288189.db2.gz LSHAECINLLVCCZ-ZXIHIIQKSA-N 1 0 310.344 2.436 10 0 DEAERO O=C(NC1CC[NH2+]CC1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262507798 145289068 /nfs/dbraw/zinc/28/90/68/145289068.db2.gz LNWZCWDFCVACQW-UHFFFAOYSA-N 1 0 304.781 2.008 10 0 DEAERO COc1cc(-c2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)ncn1 ZINC000262516591 145289635 /nfs/dbraw/zinc/28/96/35/145289635.db2.gz NPWRDKKULXRKJY-SCVCMEIPSA-N 1 0 301.350 2.128 10 0 DEAERO CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000262518175 145289887 /nfs/dbraw/zinc/28/98/87/145289887.db2.gz NTWRYWJLYKNEMT-OAHLLOKOSA-N 1 0 304.390 2.152 10 0 DEAERO Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262546296 145292061 /nfs/dbraw/zinc/29/20/61/145292061.db2.gz OAISPTDNGOJFAZ-ZDUSSCGKSA-N 1 0 317.433 2.175 10 0 DEAERO CN(CCc1cccs1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262575841 145294257 /nfs/dbraw/zinc/29/42/57/145294257.db2.gz YDDCRIQRWJSAOU-CKEIUWERSA-N 1 0 322.474 2.282 10 0 DEAERO C[C@H](C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)C1C[NH2+]C1 ZINC000262585121 145295623 /nfs/dbraw/zinc/29/56/23/145295623.db2.gz VELYLRMJMLTFKO-JCURWCKSSA-N 1 0 318.417 2.163 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1CC ZINC000262809416 145306104 /nfs/dbraw/zinc/30/61/04/145306104.db2.gz XRSJUKCGJJWBAG-LRDDRELGSA-N 1 0 310.463 2.088 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2)CC[NH2+]1 ZINC000262980776 145315830 /nfs/dbraw/zinc/31/58/30/145315830.db2.gz YQVVOOPTBVFHMV-SMDDNHRTSA-N 1 0 318.808 2.396 10 0 DEAERO COc1ccccc1[C@@H](C)Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263134814 145328428 /nfs/dbraw/zinc/32/84/28/145328428.db2.gz BYPHWRUWFIKEJZ-JSGCOSHPSA-N 1 0 316.405 2.001 10 0 DEAERO CN(C(=O)c1ccc(Br)o1)[C@H]1C[NH+]2CCC1CC2 ZINC000310786320 145352905 /nfs/dbraw/zinc/35/29/05/145352905.db2.gz AGGSRFRPIXFXKJ-JTQLQIEISA-N 1 0 313.195 2.208 10 0 DEAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(F)c(-c2cccs2)c1 ZINC000263194738 145334923 /nfs/dbraw/zinc/33/49/23/145334923.db2.gz IHQNHGLAHWGLKI-WFASDCNBSA-N 1 0 306.406 2.224 10 0 DEAERO CO[C@H]1C[C@H](CO)N(Cc2csc(-c3ccsc3)n2)C1 ZINC000312467383 145354876 /nfs/dbraw/zinc/35/48/76/145354876.db2.gz GDXWRODQXSKJHT-OLZOCXBDSA-N 1 0 310.444 2.453 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)Nc2cn(C)nc2C(C)C)CC1 ZINC000565150478 292137765 /nfs/dbraw/zinc/13/77/65/292137765.db2.gz PYKIDGHSQVXRKA-UHFFFAOYSA-N 1 0 305.426 2.317 10 0 DEAERO CS(=O)(=O)N1CCC([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000328236475 145382966 /nfs/dbraw/zinc/38/29/66/145382966.db2.gz FZMIUTUMEZSMRJ-AWEZNQCLSA-N 1 0 300.468 2.113 10 0 DEAERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccccc1 ZINC000332988723 145393133 /nfs/dbraw/zinc/39/31/33/145393133.db2.gz HNYXNTJRQQAXIE-GFOFROLCSA-N 1 0 302.418 2.409 10 0 DEAERO O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261642309 304339430 /nfs/dbraw/zinc/33/94/30/304339430.db2.gz FAARHFDCJOIWIG-BSDSXHPESA-N 1 0 314.429 2.222 10 0 DEAERO Cn1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)n1 ZINC000358270665 147103530 /nfs/dbraw/zinc/10/35/30/147103530.db2.gz XDOUGALQVNVBFI-UHFFFAOYSA-N 1 0 316.424 2.356 10 0 DEAERO COc1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1OC ZINC000358419848 147130263 /nfs/dbraw/zinc/13/02/63/147130263.db2.gz AUJAXUAFAYUDGG-UHFFFAOYSA-N 1 0 319.405 2.477 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCC2(O)CCCCCC2)CC1 ZINC000358656852 147175370 /nfs/dbraw/zinc/17/53/70/147175370.db2.gz ZDRHOMLWAGKBDI-UHFFFAOYSA-N 1 0 309.454 2.023 10 0 DEAERO CCO[C@H]1C[C@@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)C1(C)C ZINC000358672295 147178240 /nfs/dbraw/zinc/17/82/40/147178240.db2.gz VMFKXNCDTLFIGI-CVEARBPZSA-N 1 0 323.481 2.483 10 0 DEAERO COc1cc(C)c(C(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)cc1OC ZINC000358709412 147186717 /nfs/dbraw/zinc/18/67/17/147186717.db2.gz CYOCTQMXVACMGT-STQMWFEESA-N 1 0 306.406 2.177 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)NC[C@@](C)(O)C2CCCCC2)CC[N@@H+]1C ZINC000358924192 147232396 /nfs/dbraw/zinc/23/23/96/147232396.db2.gz DCCSANPGIXERQH-UKPHBRMFSA-N 1 0 311.470 2.100 10 0 DEAERO COc1ccc(Cl)cc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359343442 147311602 /nfs/dbraw/zinc/31/16/02/147311602.db2.gz NACVFTWVZYCODX-CYBMUJFWSA-N 1 0 323.824 2.385 10 0 DEAERO Cn1nccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000370261544 148000663 /nfs/dbraw/zinc/00/06/63/148000663.db2.gz NAPNMOXEXOWYKO-NVXWUHKLSA-N 1 0 312.417 2.233 10 0 DEAERO COC[C@@H](O)CN[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000370329121 148007227 /nfs/dbraw/zinc/00/72/27/148007227.db2.gz ZKSDCLKJEQSHJS-CABZTGNLSA-N 1 0 311.769 2.048 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000370389666 148013647 /nfs/dbraw/zinc/01/36/47/148013647.db2.gz KUQTXZZXWGXESF-CQSZACIVSA-N 1 0 320.481 2.438 10 0 DEAERO COCc1ccccc1CNC(=O)C[N@@H+]1CCCC12CCC2 ZINC000373104087 148210933 /nfs/dbraw/zinc/21/09/33/148210933.db2.gz LLPPEFOEANWEQX-UHFFFAOYSA-N 1 0 302.418 2.468 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3coc(Br)c3)C[C@H]21 ZINC000374602020 148267712 /nfs/dbraw/zinc/26/77/12/148267712.db2.gz HDQBYIFONQHSLP-FBIMIBRVSA-N 1 0 313.195 2.242 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000375135303 148334910 /nfs/dbraw/zinc/33/49/10/148334910.db2.gz PLSZWAQJTWLNGA-DLBZAZTESA-N 1 0 323.481 2.461 10 0 DEAERO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375280783 148351226 /nfs/dbraw/zinc/35/12/26/148351226.db2.gz KHTBIBFNWMTGPT-SFHVURJKSA-N 1 0 320.408 2.287 10 0 DEAERO NC(=O)c1csc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375405085 148368342 /nfs/dbraw/zinc/36/83/42/148368342.db2.gz PPNIPPRLDXQRTB-SNVBAGLBSA-N 1 0 318.402 2.097 10 0 DEAERO Cc1cnc2cc(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)ccn12 ZINC000565959674 292194352 /nfs/dbraw/zinc/19/43/52/292194352.db2.gz QKUIFDMFGUYMCQ-INIZCTEOSA-N 1 0 312.417 2.389 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)c2ccccc21 ZINC000111867875 401726454 /nfs/dbraw/zinc/72/64/54/401726454.db2.gz NZKQDGRVKDLPAL-HUUCEWRRSA-N 1 0 317.433 2.431 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCC(C)(C)CC1 ZINC000074167469 401731572 /nfs/dbraw/zinc/73/15/72/401731572.db2.gz CGCXNDALLQNHHG-OAHLLOKOSA-N 1 0 311.470 2.365 10 0 DEAERO C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1cccc(-n2ccnc2)c1 ZINC000074173950 401732301 /nfs/dbraw/zinc/73/23/01/401732301.db2.gz DSAKNUHRRRUCGA-CQSZACIVSA-N 1 0 312.417 2.391 10 0 DEAERO COc1c(C)cc(C[NH+]2CCC(N3CCNC3=O)CC2)cc1C ZINC000127558615 401740116 /nfs/dbraw/zinc/74/01/16/401740116.db2.gz BMZQZUDTXUKESI-UHFFFAOYSA-N 1 0 317.433 2.302 10 0 DEAERO COc1ccccc1[C@H](O)C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000127605342 401742390 /nfs/dbraw/zinc/74/23/90/401742390.db2.gz ZITABLRGSFOSKS-ZBFHGGJFSA-N 1 0 301.390 2.203 10 0 DEAERO C[C@@H](Oc1cncc(N2CC[NH2+]CC2)n1)c1cccc(F)c1 ZINC000000003309 401687410 /nfs/dbraw/zinc/68/74/10/401687410.db2.gz VIVXNAQRWKTJPF-GFCCVEGCSA-N 1 0 302.353 2.165 10 0 DEAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc(O)c1 ZINC000112459295 401746569 /nfs/dbraw/zinc/74/65/69/401746569.db2.gz GBBYXCVFNWOBAO-DZGCQCFKSA-N 1 0 303.406 2.333 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ncc(C(C)(C)C)o2)CC1 ZINC000071871590 401689630 /nfs/dbraw/zinc/68/96/30/401689630.db2.gz AXQWTTLWHVYYPX-AWEZNQCLSA-N 1 0 323.481 2.497 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)cc1F ZINC000126621875 401701811 /nfs/dbraw/zinc/70/18/11/401701811.db2.gz XFULBYHPWMMYRZ-GHMZBOCLSA-N 1 0 307.369 2.161 10 0 DEAERO CC[C@@H]1CN(Cc2ccc3c(c2)CCO3)CC[N@@H+]1CCOC ZINC000111228135 401702077 /nfs/dbraw/zinc/70/20/77/401702077.db2.gz OGUBKUGAZJLATN-QGZVFWFLSA-N 1 0 304.434 2.164 10 0 DEAERO COC(=O)CC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111307700 401709749 /nfs/dbraw/zinc/70/97/49/401709749.db2.gz XEEZNPOQGPTUCE-UHFFFAOYSA-N 1 0 302.418 2.324 10 0 DEAERO COc1cccc([C@@H](C[NH3+])S(=O)(=O)c2ccc(C)cc2)c1 ZINC000008037275 401747803 /nfs/dbraw/zinc/74/78/03/401747803.db2.gz OAIQQBTWAMSIRT-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO COc1c(CN2CC[NH+](CC3CCCCC3)CC2)c(C)nn1C ZINC000126994770 401716267 /nfs/dbraw/zinc/71/62/67/401716267.db2.gz XKSRHDUBVFDFLI-UHFFFAOYSA-N 1 0 320.481 2.435 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(C)ccc1OC ZINC000127060639 401718911 /nfs/dbraw/zinc/71/89/11/401718911.db2.gz CECWONHPTHESOJ-UONOGXRCSA-N 1 0 318.421 2.489 10 0 DEAERO COc1cccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000129410618 401803468 /nfs/dbraw/zinc/80/34/68/401803468.db2.gz MUYLJWFEJXJWEP-UHFFFAOYSA-N 1 0 320.437 2.199 10 0 DEAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114564011 401803414 /nfs/dbraw/zinc/80/34/14/401803414.db2.gz PXPDKACIGATRRQ-KSZLIROESA-N 1 0 309.450 2.365 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H](C)SC)cc2)CC1 ZINC000129476184 401804465 /nfs/dbraw/zinc/80/44/65/401804465.db2.gz DHIPMZQFBAGNNU-CQSZACIVSA-N 1 0 321.490 2.310 10 0 DEAERO [NH3+]CCN[C@@H]1CCCc2sc(I)cc21 ZINC000127926074 401756077 /nfs/dbraw/zinc/75/60/77/401756077.db2.gz SUCNBCVEVCJWNV-MRVPVSSYSA-N 1 0 322.215 2.278 10 0 DEAERO O=C(CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1)NC1CCCC1 ZINC000128026641 401759664 /nfs/dbraw/zinc/75/96/64/401759664.db2.gz WKXCUNKXSONXNK-HZPDHXFCSA-N 1 0 304.438 2.405 10 0 DEAERO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000112897500 401761315 /nfs/dbraw/zinc/76/13/15/401761315.db2.gz IWMRFMHSUHPNRU-JQWIXIFHSA-N 1 0 314.788 2.409 10 0 DEAERO C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000112924355 401761918 /nfs/dbraw/zinc/76/19/18/401761918.db2.gz GDFYSWWSVNXBES-JQWIXIFHSA-N 1 0 314.788 2.457 10 0 DEAERO CCC(C)(CC)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112937581 401762340 /nfs/dbraw/zinc/76/23/40/401762340.db2.gz IRUDXVCSWVSKMT-UHFFFAOYSA-N 1 0 304.438 2.142 10 0 DEAERO COC[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000112985427 401763200 /nfs/dbraw/zinc/76/32/00/401763200.db2.gz LKQHZTNPPBKRQF-STQMWFEESA-N 1 0 322.371 2.146 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccccc2)n1 ZINC000113226029 401770495 /nfs/dbraw/zinc/77/04/95/401770495.db2.gz WGTOFCVPUZOBEK-GDBMZVCRSA-N 1 0 310.401 2.181 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)cc2nccnc21 ZINC000113226987 401771245 /nfs/dbraw/zinc/77/12/45/401771245.db2.gz FIMHAGMBDUYWTM-WCQYABFASA-N 1 0 314.364 2.078 10 0 DEAERO COc1cc(OC)cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113233576 401772096 /nfs/dbraw/zinc/77/20/96/401772096.db2.gz FLFNQZRICADCDK-TZMCWYRMSA-N 1 0 304.390 2.013 10 0 DEAERO COC(=O)c1cccc(OCCN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113270728 401774036 /nfs/dbraw/zinc/77/40/36/401774036.db2.gz DCISYXCWIRYVSQ-GOEBONIOSA-N 1 0 318.417 2.021 10 0 DEAERO Cc1cccc(C)c1OC[C@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113269231 401774054 /nfs/dbraw/zinc/77/40/54/401774054.db2.gz NZCPYOWZSWCZTA-OKZBNKHCSA-N 1 0 318.461 2.212 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(Cl)c1 ZINC000113305921 401776005 /nfs/dbraw/zinc/77/60/05/401776005.db2.gz PIJVOPGJKDOZNN-DGCLKSJQSA-N 1 0 314.838 2.197 10 0 DEAERO COCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CC[C@@H]21 ZINC000012199609 401781729 /nfs/dbraw/zinc/78/17/29/401781729.db2.gz OYDAUGSAURIUCU-MSOLQXFVSA-N 1 0 316.445 2.454 10 0 DEAERO COc1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1OC ZINC000128562721 401782961 /nfs/dbraw/zinc/78/29/61/401782961.db2.gz BZLOVCRIYUBGLO-CQSZACIVSA-N 1 0 316.405 2.208 10 0 DEAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1cccc(O)c1 ZINC000113621929 401783952 /nfs/dbraw/zinc/78/39/52/401783952.db2.gz XRKJRLUAKDYOCF-KCQAQPDRSA-N 1 0 303.406 2.331 10 0 DEAERO Cc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)nn1-c1ccccc1 ZINC000114148256 401793041 /nfs/dbraw/zinc/79/30/41/401793041.db2.gz OSZSLPJXUKLKHH-OAHLLOKOSA-N 1 0 312.417 2.204 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccccc2OC)[C@H](C)C1 ZINC000076481361 401795969 /nfs/dbraw/zinc/79/59/69/401795969.db2.gz BDXIONMEOGOELC-GDBMZVCRSA-N 1 0 304.434 2.426 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000076489315 401796602 /nfs/dbraw/zinc/79/66/02/401796602.db2.gz SQIQRJIZNYMYEJ-DYVFJYSZSA-N 1 0 317.433 2.447 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000076483689 401796651 /nfs/dbraw/zinc/79/66/51/401796651.db2.gz IWIDAUQQEPJDJG-TZMCWYRMSA-N 1 0 304.390 2.218 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccncc1 ZINC000116250408 401846709 /nfs/dbraw/zinc/84/67/09/401846709.db2.gz JTUOVYJSDCDBDF-YOEHRIQHSA-N 1 0 310.401 2.117 10 0 DEAERO COC(=O)c1cc(F)ccc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116315633 401849152 /nfs/dbraw/zinc/84/91/52/401849152.db2.gz KRZQLEPVOPKQSF-GFCCVEGCSA-N 1 0 317.364 2.335 10 0 DEAERO CN(C(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)C1CCCCC1 ZINC000116314673 401849308 /nfs/dbraw/zinc/84/93/08/401849308.db2.gz NLGVOTYMXBNVHM-CQSZACIVSA-N 1 0 304.438 2.001 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)Nc3cccc(F)c3)C2)cn1 ZINC000116313465 401849385 /nfs/dbraw/zinc/84/93/85/401849385.db2.gz ZTQLEEIJSVVPLO-CYBMUJFWSA-N 1 0 316.380 2.377 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Br)cc1 ZINC000078469439 401852282 /nfs/dbraw/zinc/85/22/82/401852282.db2.gz ORTZTRPHUBFWBC-SMDDNHRTSA-N 1 0 313.239 2.430 10 0 DEAERO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116889405 401863545 /nfs/dbraw/zinc/86/35/45/401863545.db2.gz JQVLXQLZDBEURY-OAHLLOKOSA-N 1 0 310.463 2.108 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2nc3ccccc3s2)CCO1 ZINC000116928552 401864343 /nfs/dbraw/zinc/86/43/43/401864343.db2.gz OVQOLLWTLXMFMJ-LLVKDONJSA-N 1 0 320.418 2.091 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000132509211 401868853 /nfs/dbraw/zinc/86/88/53/401868853.db2.gz RMBDOUFDIKTUQH-UONOGXRCSA-N 1 0 306.454 2.456 10 0 DEAERO CC(C)C[C@H]1CCCCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000077364595 401812274 /nfs/dbraw/zinc/81/22/74/401812274.db2.gz OEKCOZPPTSCDLW-JKSUJKDBSA-N 1 0 323.481 2.001 10 0 DEAERO Nc1ccnc(CN2CCC(Nc3ccccc3F)CC2)n1 ZINC000135201883 401929876 /nfs/dbraw/zinc/92/98/76/401929876.db2.gz NFMBGPQNXJJDKG-UHFFFAOYSA-N 1 0 301.369 2.274 10 0 DEAERO CCC[C@H](C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)[NH+](C)C ZINC000119171291 401930528 /nfs/dbraw/zinc/93/05/28/401930528.db2.gz QXNJLLKCGOOPQN-WMLDXEAASA-N 1 0 321.440 2.499 10 0 DEAERO Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccco2)n1 ZINC000088503307 401932659 /nfs/dbraw/zinc/93/26/59/401932659.db2.gz ZTWHQJOLVYPSKD-UHFFFAOYSA-N 1 0 316.405 2.256 10 0 DEAERO CCOCCC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000132792450 401873977 /nfs/dbraw/zinc/87/39/77/401873977.db2.gz MCYZTMPPKASMEV-LSDHHAIUSA-N 1 0 309.454 2.071 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)NCCn1cc(C)cn1)CC(C)C ZINC000118057553 401890125 /nfs/dbraw/zinc/89/01/25/401890125.db2.gz LYGWRMNFXJUENL-MRXNPFEDSA-N 1 0 323.485 2.247 10 0 DEAERO Cc1cnn(CCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000118064382 401890346 /nfs/dbraw/zinc/89/03/46/401890346.db2.gz QBVWSESIAKJAPT-WMLDXEAASA-N 1 0 321.469 2.001 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)COc2ccc(C)cc2)C1 ZINC000081516166 401896849 /nfs/dbraw/zinc/89/68/49/401896849.db2.gz FYBIGEHDQVHURU-ROUUACIJSA-N 1 0 320.477 2.398 10 0 DEAERO CC(C)C[C@H](NC(=O)[C@H]([NH3+])C(C)C)C(=O)Nc1ccccc1 ZINC000035653273 401900172 /nfs/dbraw/zinc/90/01/72/401900172.db2.gz LODYUHYUFPJMPF-LSDHHAIUSA-N 1 0 305.422 2.139 10 0 in-vitro DEAERO [NH3+]C1(CNS(=O)(=O)CCc2ccccc2)CCCCCC1 ZINC000036266762 401903947 /nfs/dbraw/zinc/90/39/47/401903947.db2.gz MQZBXRQCGDAQCG-UHFFFAOYSA-N 1 0 310.463 2.200 10 0 DEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000134522251 401905574 /nfs/dbraw/zinc/90/55/74/401905574.db2.gz CIZMPYYGIWJCRD-FUHWJXTLSA-N 1 0 304.434 2.409 10 0 DEAERO C[C@@H]([NH2+]CCc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000036954833 401908824 /nfs/dbraw/zinc/90/88/24/401908824.db2.gz ZUSHPDQHRFUBMV-CYBMUJFWSA-N 1 0 304.415 2.227 10 0 DEAERO COc1ccc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cc1NC(C)=O ZINC000134634485 401909712 /nfs/dbraw/zinc/90/97/12/401909712.db2.gz HUFXRQPHSIHNBP-OSAQELSMSA-N 1 0 304.390 2.241 10 0 DEAERO NC(=O)N1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000037281338 401911766 /nfs/dbraw/zinc/91/17/66/401911766.db2.gz HPHXHQFZMMVUTQ-CYBMUJFWSA-N 1 0 309.410 2.495 10 0 DEAERO O=C(C[C@@H]1CCC[N@@H+]1CCN1CCCC1=O)c1ccc(F)cc1 ZINC000134830988 401916135 /nfs/dbraw/zinc/91/61/35/401916135.db2.gz SEFLAKAATKZQTO-INIZCTEOSA-N 1 0 318.392 2.485 10 0 DEAERO C[C@H]1CN(C(=O)c2ccc(Br)cc2)C[C@@H]1[NH+](C)C ZINC000089710195 401958555 /nfs/dbraw/zinc/95/85/55/401958555.db2.gz PUFVLNCSZMNWKP-GWCFXTLKSA-N 1 0 311.223 2.471 10 0 DEAERO C[C@@H](C[N@H+](CCC(F)(F)F)CC1CC1)CS(C)(=O)=O ZINC000119901071 401970547 /nfs/dbraw/zinc/97/05/47/401970547.db2.gz COFQFJSOCNBHKS-JTQLQIEISA-N 1 0 301.374 2.332 10 0 DEAERO CCC[C@@H](C(=O)N1CCCN(c2ccccc2)CC1)[NH+](C)C ZINC000137270565 401981802 /nfs/dbraw/zinc/98/18/02/401981802.db2.gz WYBMWEGUZRXTQC-KRWDZBQOSA-N 1 0 303.450 2.456 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCc1ccc(OC)cc1 ZINC000047606441 401985164 /nfs/dbraw/zinc/98/51/64/401985164.db2.gz JDXUWRLEARBVFQ-AWEZNQCLSA-N 1 0 307.438 2.267 10 0 DEAERO CC(C)CCC1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000120466896 401991222 /nfs/dbraw/zinc/99/12/22/401991222.db2.gz QXSWHHPPURUGPF-INIZCTEOSA-N 1 0 311.470 2.175 10 0 DEAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc2c(c1)CCC2 ZINC000043389312 401938571 /nfs/dbraw/zinc/93/85/71/401938571.db2.gz BXZSFXOYAUORHZ-QGZVFWFLSA-N 1 0 317.433 2.144 10 0 DEAERO C[C@@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)O1 ZINC000151044500 402012690 /nfs/dbraw/zinc/01/26/90/402012690.db2.gz PHJBILORVRZZPF-CZUORRHYSA-N 1 0 308.397 2.283 10 0 DEAERO O=C(NCCC1=CCCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000121075496 402013663 /nfs/dbraw/zinc/01/36/63/402013663.db2.gz IECAILWPMGZLQG-MRXNPFEDSA-N 1 0 321.465 2.287 10 0 DEAERO CSCCCCNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000121100040 402015190 /nfs/dbraw/zinc/01/51/90/402015190.db2.gz LSIJISSZBNJPIA-CQSZACIVSA-N 1 0 301.500 2.407 10 0 DEAERO Cc1ccc(C[C@H](C)[N@H+](C)CC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000151136475 402018973 /nfs/dbraw/zinc/01/89/73/402018973.db2.gz DRBHPOZXFITGJS-YESZJQIVSA-N 1 0 318.461 2.494 10 0 DEAERO Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](c4cnn(C)c4)C3)C2=O)cc1 ZINC000121197274 402019737 /nfs/dbraw/zinc/01/97/37/402019737.db2.gz HWHDNTQGJBOUHI-YJBOKZPZSA-N 1 0 324.428 2.323 10 0 DEAERO CCc1noc(CC)c1CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000151189043 402022519 /nfs/dbraw/zinc/02/25/19/402022519.db2.gz DZBSLKUUYDGHAW-UHFFFAOYSA-N 1 0 319.449 2.429 10 0 DEAERO C[NH2+][C@@H](CCO)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095075712 402023903 /nfs/dbraw/zinc/02/39/03/402023903.db2.gz IVVPMBQCWQKGFE-CVEARBPZSA-N 1 0 306.406 2.006 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CC(=O)c1ccc[nH]1 ZINC000095085776 402024604 /nfs/dbraw/zinc/02/46/04/402024604.db2.gz URKLHOCTOUSOMO-LBPRGKRZSA-N 1 0 307.394 2.187 10 0 DEAERO O=C(OCc1ccccc1)N1CCC2(CC[N@@H+](CCO)C2)CC1 ZINC000095078880 402024901 /nfs/dbraw/zinc/02/49/01/402024901.db2.gz SDAMKETVWMOYPL-UHFFFAOYSA-N 1 0 318.417 2.103 10 0 DEAERO Cc1nc2c(s1)[C@H](NC[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000151319041 402029466 /nfs/dbraw/zinc/02/94/66/402029466.db2.gz ZOMGULAINGDENM-ZIAGYGMSSA-N 1 0 309.479 2.265 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](O)c1cccc(C)c1 ZINC000121356478 402030996 /nfs/dbraw/zinc/03/09/96/402030996.db2.gz ONIRDOLIPWKKMJ-HOCLYGCPSA-N 1 0 307.438 2.058 10 0 DEAERO CO[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)C(C)(C)C ZINC000121429528 402035599 /nfs/dbraw/zinc/03/55/99/402035599.db2.gz JGAZYLJLEUTAHT-NRXISQOPSA-N 1 0 313.486 2.467 10 0 DEAERO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000121435914 402035730 /nfs/dbraw/zinc/03/57/30/402035730.db2.gz WVMOPILJSDRPME-KBPBESRZSA-N 1 0 305.340 2.429 10 0 DEAERO Cc1cc(CC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)n[nH]1 ZINC000121450408 402036887 /nfs/dbraw/zinc/03/68/87/402036887.db2.gz BIMAJRWXRVWUJM-CYBMUJFWSA-N 1 0 309.373 2.324 10 0 DEAERO C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)C[C@H]1CCCO1 ZINC000052102712 402039437 /nfs/dbraw/zinc/03/94/37/402039437.db2.gz NIDHIEMLDJKAGS-CQSZACIVSA-N 1 0 316.401 2.174 10 0 DEAERO [NH2+]=C(Nc1ccc(I)cc1)NC1CC1 ZINC000052069057 402039446 /nfs/dbraw/zinc/03/94/46/402039446.db2.gz KAYVEVJGPYKJGB-UHFFFAOYSA-N 1 0 301.131 2.390 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCOc2ccccc2F)C1 ZINC000052593445 402044300 /nfs/dbraw/zinc/04/43/00/402044300.db2.gz XFUGSGOEEWJEDU-CQSZACIVSA-N 1 0 323.412 2.330 10 0 DEAERO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000151625238 402047069 /nfs/dbraw/zinc/04/70/69/402047069.db2.gz LDXFNMAMAUUNBU-LBPRGKRZSA-N 1 0 311.813 2.242 10 0 DEAERO C[C@H]1C[C@H](C)C[NH+](CCCn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000053086506 402050954 /nfs/dbraw/zinc/05/09/54/402050954.db2.gz JVXPCASSWMQSRJ-KBPBESRZSA-N 1 0 315.417 2.058 10 0 DEAERO CCCn1nc(C)c(CN2CC[N@H+](CCOC)[C@H](C)C2)c1C ZINC000120781205 402002102 /nfs/dbraw/zinc/00/21/02/402002102.db2.gz MMDACKYECBJYAK-CQSZACIVSA-N 1 0 308.470 2.062 10 0 DEAERO CN(CC(C)(C)O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000120823734 402003358 /nfs/dbraw/zinc/00/33/58/402003358.db2.gz UXQBFZGMZWCYEB-UHFFFAOYSA-N 1 0 319.449 2.195 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCC2(c3ccc(F)cc3F)CC2)C1 ZINC000120860263 402004809 /nfs/dbraw/zinc/00/48/09/402004809.db2.gz WVXZYUBLWQLZRU-ZDUSSCGKSA-N 1 0 323.387 2.342 10 0 DEAERO COCCOc1ccccc1C[NH+]1CCC(n2cncn2)CC1 ZINC000092648094 402007142 /nfs/dbraw/zinc/00/71/42/402007142.db2.gz FPRFIHZUAVFNOX-UHFFFAOYSA-N 1 0 316.405 2.140 10 0 DEAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000152349122 402090922 /nfs/dbraw/zinc/09/09/22/402090922.db2.gz MIEKPHONBUSLFO-RDJZCZTQSA-N 1 0 304.434 2.453 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc3nccnc32)CC[N@@H+]1C ZINC000122754485 402092981 /nfs/dbraw/zinc/09/29/81/402092981.db2.gz SARKSJBCRGFBHO-WCQYABFASA-N 1 0 316.380 2.324 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)COCCOc2ccccc2)CC[N@@H+]1C ZINC000122776665 402094194 /nfs/dbraw/zinc/09/41/94/402094194.db2.gz JBXGSOTVKASOLO-HZPDHXFCSA-N 1 0 320.433 2.023 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCOc2ccccc2)C1 ZINC000057870150 402097469 /nfs/dbraw/zinc/09/74/69/402097469.db2.gz KQEJAWJKOQHJTK-OAHLLOKOSA-N 1 0 305.422 2.191 10 0 DEAERO CC(C)c1noc(CCC(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000058909623 402102913 /nfs/dbraw/zinc/10/29/13/402102913.db2.gz PCIGWANZCNNCGM-UHFFFAOYSA-N 1 0 320.437 2.212 10 0 DEAERO Cc1cc(C)cc(CCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000152835824 402111701 /nfs/dbraw/zinc/11/17/01/402111701.db2.gz YMPBVOBWEKUFIF-IAGOWNOFSA-N 1 0 318.461 2.150 10 0 DEAERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc(C)c1F ZINC000123123843 402112073 /nfs/dbraw/zinc/11/20/73/402112073.db2.gz LZEHWWIHNTYEIF-ZBFHGGJFSA-N 1 0 320.408 2.235 10 0 DEAERO COc1ccc(CCNC(=O)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000123224768 402117078 /nfs/dbraw/zinc/11/70/78/402117078.db2.gz XKFRUUDTBMGAEO-UHFFFAOYSA-N 1 0 310.825 2.349 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)CCCO2 ZINC000123247172 402117641 /nfs/dbraw/zinc/11/76/41/402117641.db2.gz NQMLQVLNQYBAMZ-PBHICJAKSA-N 1 0 320.433 2.219 10 0 DEAERO CCC[C@@H](C(=O)N1CCN(c2nc(C)c(C)s2)CC1)[NH+](C)C ZINC000122122434 402062378 /nfs/dbraw/zinc/06/23/78/402062378.db2.gz WDLYGLGFENSCCE-AWEZNQCLSA-N 1 0 324.494 2.139 10 0 DEAERO Cc1ccccc1C[NH+]1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000054171723 402063835 /nfs/dbraw/zinc/06/38/35/402063835.db2.gz QQJISVQLXMPOEI-SFHVURJKSA-N 1 0 320.477 2.289 10 0 DEAERO C[C@@H](CO)[C@@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000151902855 402064726 /nfs/dbraw/zinc/06/47/26/402064726.db2.gz OYESNKMWNJKCAV-NWDGAFQWSA-N 1 0 304.390 2.241 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N(CC[NH+](C)C)C(C)C ZINC000151935589 402066318 /nfs/dbraw/zinc/06/63/18/402066318.db2.gz 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COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(CO)o2)C1 ZINC000154415259 402211532 /nfs/dbraw/zinc/21/15/32/402211532.db2.gz SPBYDOHEYCCFOF-CYBMUJFWSA-N 1 0 302.374 2.149 10 0 DEAERO Cc1ccc([C@@H](CNC(=O)NC[C@H](O)C(C)C)[NH+]2CCCC2)o1 ZINC000154447871 402212883 /nfs/dbraw/zinc/21/28/83/402212883.db2.gz VRXRDPOXEDFWJO-CABCVRRESA-N 1 0 323.437 2.041 10 0 DEAERO CCC[C@H](C(=O)NC[C@](C)(O)c1cccc(Cl)c1)[NH+](C)C ZINC000185076602 402322653 /nfs/dbraw/zinc/32/26/53/402322653.db2.gz SFSSFRQIMCKLDQ-ZBFHGGJFSA-N 1 0 312.841 2.394 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CCc1nnc(C2CCCC2)o1 ZINC000155799783 402267645 /nfs/dbraw/zinc/26/76/45/402267645.db2.gz YXJAJCHQYOFYEV-BETUJISGSA-N 1 0 320.437 2.211 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cnn(C)c1 ZINC000126207822 402269485 /nfs/dbraw/zinc/26/94/85/402269485.db2.gz RSDLQTYKSGQBSR-MPGHIAIKSA-N 1 0 313.449 2.376 10 0 DEAERO Cc1cnc(Nc2ccc(OCC[NH+]3CCCC3)cc2)[nH]c1=O ZINC000071261350 402271326 /nfs/dbraw/zinc/27/13/26/402271326.db2.gz SJKDMWBKFQHDRW-UHFFFAOYSA-N 1 0 314.389 2.297 10 0 DEAERO O[C@H](C[NH2+]C[C@H](O)C1CC1)COc1c(Cl)cccc1Cl ZINC000071305622 402272381 /nfs/dbraw/zinc/27/23/81/402272381.db2.gz NIYPACHXVCGBMJ-MFKMUULPSA-N 1 0 320.216 2.094 10 0 DEAERO C[C@H](c1cnccn1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000184548588 402273831 /nfs/dbraw/zinc/27/38/31/402273831.db2.gz IOOSXKMPCKNUEM-CYBMUJFWSA-N 1 0 308.389 2.460 10 0 DEAERO C[C@@H](O)CC(C)(C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000176083254 402277239 /nfs/dbraw/zinc/27/72/39/402277239.db2.gz GUJICJOQHDRWGF-GDBMZVCRSA-N 1 0 306.450 2.073 10 0 DEAERO CC(C)c1ccc(NC(=O)CN(C)[C@H](C)C[S@](C)=O)cc1 ZINC000185127822 402326599 /nfs/dbraw/zinc/32/65/99/402326599.db2.gz ZNQLVIZDAXJSMM-ASSNKEHSSA-N 1 0 310.463 2.447 10 0 DEAERO CCOc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)cc1 ZINC000110083693 402280931 /nfs/dbraw/zinc/28/09/31/402280931.db2.gz DBHOYSQKXQQOBM-OAHLLOKOSA-N 1 0 321.421 2.318 10 0 DEAERO CN1CCO[C@@H](CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC000176153749 402284671 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CCCCn1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C)n1 ZINC000184965139 402313106 /nfs/dbraw/zinc/31/31/06/402313106.db2.gz GKONYVBMKDYZLT-BBRMVZONSA-N 1 0 306.454 2.450 10 0 DEAERO Cn1cc(-c2cc(C[N@H+](CCCO)CC(C)(C)C)on2)cn1 ZINC000185000563 402316300 /nfs/dbraw/zinc/31/63/00/402316300.db2.gz LWFFGOHEGTVXDO-UHFFFAOYSA-N 1 0 306.410 2.306 10 0 DEAERO CC(C)[C@@](C)(O)C[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000185010066 402316854 /nfs/dbraw/zinc/31/68/54/402316854.db2.gz QDJMKXOXEAXVMS-INIZCTEOSA-N 1 0 310.463 2.303 10 0 DEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000159099132 402317416 /nfs/dbraw/zinc/31/74/16/402317416.db2.gz HXEZMZLVPYHCEJ-KEYYUXOJSA-N 1 0 324.490 2.469 10 0 DEAERO COC[C@](C)(CCO)[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000185301181 402342004 /nfs/dbraw/zinc/34/20/04/402342004.db2.gz SAGCNPOUTXZIOE-GUYCJALGSA-N 1 0 313.413 2.390 10 0 DEAERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC000185363833 402346926 /nfs/dbraw/zinc/34/69/26/402346926.db2.gz RWSROIYMFINDSF-LBPRGKRZSA-N 1 0 300.349 2.242 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1C ZINC000176903463 402348811 /nfs/dbraw/zinc/34/88/11/402348811.db2.gz FJZZCRUAXAVSCR-CQSZACIVSA-N 1 0 321.396 2.015 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1nc2ccccc2[nH]1 ZINC000176977824 402356568 /nfs/dbraw/zinc/35/65/68/402356568.db2.gz IXPHPWIKGMVEOL-CQSZACIVSA-N 1 0 314.433 2.438 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000176995874 402357550 /nfs/dbraw/zinc/35/75/50/402357550.db2.gz OIMSDDMJGABSMK-QGZVFWFLSA-N 1 0 312.417 2.429 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(NC(=O)OC)c1 ZINC000177014105 402359367 /nfs/dbraw/zinc/35/93/67/402359367.db2.gz VDXNLKYFWAOAGS-HNNXBMFYSA-N 1 0 319.405 2.421 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc2c(c1)OCCCO2 ZINC000177029983 402360828 /nfs/dbraw/zinc/36/08/28/402360828.db2.gz AQOLZHKDZZZMQB-HNNXBMFYSA-N 1 0 318.417 2.404 10 0 DEAERO COC(=O)CN1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000185577361 402362519 /nfs/dbraw/zinc/36/25/19/402362519.db2.gz HZJHHKCWBOUMMT-UHFFFAOYSA-N 1 0 312.360 2.351 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)COc2ccc(F)cc2F)C1 ZINC000177065699 402366248 /nfs/dbraw/zinc/36/62/48/402366248.db2.gz OKHHBEKPWZNULA-RISCZKNCSA-N 1 0 312.360 2.189 10 0 DEAERO COc1ccc(/C=C(\C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1F ZINC000185820324 402380145 /nfs/dbraw/zinc/38/01/45/402380145.db2.gz GWFCSRJDVJLLFU-BRADTZPFSA-N 1 0 306.381 2.400 10 0 DEAERO COc1ccc(/C=C(\C)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000185820306 402380236 /nfs/dbraw/zinc/38/02/36/402380236.db2.gz GWFCSRJDVJLLFU-TZIYXEQSSA-N 1 0 306.381 2.400 10 0 DEAERO CCC[C@@H](C)C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000185153334 402328811 /nfs/dbraw/zinc/32/88/11/402328811.db2.gz GWGBIOLNEXQLIF-SJLPKXTDSA-N 1 0 318.461 2.482 10 0 DEAERO Cc1ccc2ncnc(N3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000176742364 402332603 /nfs/dbraw/zinc/33/26/03/402332603.db2.gz KRHRUGBBPMQEDP-UHFFFAOYSA-N 1 0 312.417 2.239 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c(C)s1 ZINC000185229932 402336520 /nfs/dbraw/zinc/33/65/20/402336520.db2.gz XMSJZHRBHBYJPQ-UHFFFAOYSA-N 1 0 302.465 2.080 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)CC1 ZINC000237153708 402396804 /nfs/dbraw/zinc/39/68/04/402396804.db2.gz WXNFXLDZSIHIHF-BLLLJJGKSA-N 1 0 315.417 2.105 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000237149151 402396850 /nfs/dbraw/zinc/39/68/50/402396850.db2.gz GYKSDWZEOZXJEZ-QGZVFWFLSA-N 1 0 318.417 2.068 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cc3ccc(OC)cc3nc2C)CC1 ZINC000237145388 402396858 /nfs/dbraw/zinc/39/68/58/402396858.db2.gz BFQQRMFDLNJRHG-UHFFFAOYSA-N 1 0 313.401 2.376 10 0 DEAERO Cc1cc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1F ZINC000177446976 402403258 /nfs/dbraw/zinc/40/32/58/402403258.db2.gz BEFGNCLGCYTSCR-AWEZNQCLSA-N 1 0 322.424 2.299 10 0 DEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000177517254 402411737 /nfs/dbraw/zinc/41/17/37/402411737.db2.gz ZPXSRTNEYLPTLC-CQSZACIVSA-N 1 0 308.426 2.181 10 0 DEAERO COc1cc(OC)cc([C@H]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)C2)c1 ZINC000162206657 402413137 /nfs/dbraw/zinc/41/31/37/402413137.db2.gz JHSJJBQDGBYJOB-ZFWWWQNUSA-N 1 0 318.417 2.162 10 0 DEAERO CNC(=O)Cc1nc(CN(C)Cc2cccc(F)c2)cs1 ZINC000177547618 402415227 /nfs/dbraw/zinc/41/52/27/402415227.db2.gz NYGACLMRDDYBIN-UHFFFAOYSA-N 1 0 307.394 2.203 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CCCC(=O)N(C)C)cc1NC(C)=O ZINC000177991914 402450444 /nfs/dbraw/zinc/45/04/44/402450444.db2.gz HFRAZHNGGVRUTM-LBPRGKRZSA-N 1 0 321.421 2.173 10 0 DEAERO Cc1cccc2[nH]cc(CCNC(=O)C[C@@H]3CSCC[NH2+]3)c21 ZINC000237739857 402419629 /nfs/dbraw/zinc/41/96/29/402419629.db2.gz UJXHISYNWZDEKP-CQSZACIVSA-N 1 0 317.458 2.230 10 0 DEAERO O=C(Cc1ccc(OC(F)F)cc1)NCC[C@H]1CCC[NH2+]C1 ZINC000237860792 402423722 /nfs/dbraw/zinc/42/37/22/402423722.db2.gz YWXUTOSMAQHTEW-CYBMUJFWSA-N 1 0 312.360 2.336 10 0 DEAERO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000237892557 402425482 /nfs/dbraw/zinc/42/54/82/402425482.db2.gz CXLGAZBAFDJOQX-GFCCVEGCSA-N 1 0 318.808 2.255 10 0 DEAERO CC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1nccs1 ZINC000162592482 402425555 /nfs/dbraw/zinc/42/55/55/402425555.db2.gz KMFRCMWSWJPURS-XQQFMLRXSA-N 1 0 308.451 2.472 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000177696443 402427720 /nfs/dbraw/zinc/42/77/20/402427720.db2.gz MLFVPGKLZLREHC-GJZGRUSLSA-N 1 0 321.469 2.207 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NCc1ccccc1C ZINC000177709034 402428970 /nfs/dbraw/zinc/42/89/70/402428970.db2.gz HLTJSZOGULQDJK-FUHWJXTLSA-N 1 0 317.477 2.416 10 0 DEAERO CC1CC[NH+](CCNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000162772370 402431214 /nfs/dbraw/zinc/43/12/14/402431214.db2.gz IRFIMPJCMUSVIY-WMZOPIPTSA-N 1 0 323.481 2.055 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC(Oc2ccccc2)CC1 ZINC000238044100 402434234 /nfs/dbraw/zinc/43/42/34/402434234.db2.gz QAYTVTUENWAQFY-CQSZACIVSA-N 1 0 320.458 2.152 10 0 DEAERO O=C(c1ccc(Br)o1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186490303 402435569 /nfs/dbraw/zinc/43/55/69/402435569.db2.gz ZVYBDVRMFUNDDO-SECBINFHSA-N 1 0 313.195 2.399 10 0 DEAERO CCC[C@@H](C(=O)NC1CCC(O)(c2cccnc2)CC1)[NH+](C)C ZINC000186503779 402436703 /nfs/dbraw/zinc/43/67/03/402436703.db2.gz UELPZWQBBPSOSE-PQUAAJSLSA-N 1 0 319.449 2.058 10 0 DEAERO CCc1noc(CC)c1CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186504295 402437037 /nfs/dbraw/zinc/43/70/37/402437037.db2.gz JVZKSTDFCUZVPF-LBPRGKRZSA-N 1 0 305.422 2.085 10 0 DEAERO O=C(c1cncc(Br)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186505008 402437274 /nfs/dbraw/zinc/43/72/74/402437274.db2.gz ZGOJRZZPRXUMCF-LBPRGKRZSA-N 1 0 324.222 2.201 10 0 DEAERO C[C@H](CN1C[C@H](C)O[C@@H](c2ccccc2)C1)CS(C)(=O)=O ZINC000163140806 402443057 /nfs/dbraw/zinc/44/30/57/402443057.db2.gz ZYJWHCCHQINQED-IJEWVQPXSA-N 1 0 311.447 2.129 10 0 DEAERO CCOCC[N@@H+]1CCN(c2ncnc3c(C)cccc32)C[C@@H]1C ZINC000177929722 402444971 /nfs/dbraw/zinc/44/49/71/402444971.db2.gz YCLIMTDGQOKGKC-HNNXBMFYSA-N 1 0 314.433 2.485 10 0 DEAERO CC[NH+]1CCN(CC(=O)Nc2ccccc2OC(C)C)CC1 ZINC000244179373 402447420 /nfs/dbraw/zinc/44/74/20/402447420.db2.gz VIEWLIBCDHHTLF-UHFFFAOYSA-N 1 0 305.422 2.050 10 0 DEAERO Cc1c(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000161630368 402394085 /nfs/dbraw/zinc/39/40/85/402394085.db2.gz ZBFAYJUIMADTNM-CQSZACIVSA-N 1 0 322.453 2.465 10 0 DEAERO C[NH2+]C1CCN(C(=O)C[C@H](C)Cc2ccccc2OC)CC1 ZINC000237073523 402394134 /nfs/dbraw/zinc/39/41/34/402394134.db2.gz LLAUEZXDQUTUSE-CQSZACIVSA-N 1 0 304.434 2.474 10 0 DEAERO Cc1cccc(C)c1OCCC[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000187730153 402510293 /nfs/dbraw/zinc/51/02/93/402510293.db2.gz UCZZNPCVPASRBG-QGZVFWFLSA-N 1 0 306.450 2.071 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000246118329 402511789 /nfs/dbraw/zinc/51/17/89/402511789.db2.gz IVRKDWWRAJKVIN-BXUZGUMPSA-N 1 0 316.854 2.347 10 0 DEAERO CC(C)n1cc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cn1 ZINC000178056833 402456145 /nfs/dbraw/zinc/45/61/45/402456145.db2.gz BJQVFBKVNZMPPH-CYBMUJFWSA-N 1 0 311.393 2.291 10 0 DEAERO CC[C@H]1C[N@H+](CCNS(C)(=O)=O)CC[C@H]1c1ccccc1 ZINC000245410448 402457906 /nfs/dbraw/zinc/45/79/06/402457906.db2.gz RBERKAMGHLFWLM-GOEBONIOSA-N 1 0 310.463 2.051 10 0 DEAERO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000245410499 402458162 /nfs/dbraw/zinc/45/81/62/402458162.db2.gz RGLQOQQDROZEED-WFASDCNBSA-N 1 0 314.426 2.148 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1=CCCCO1 ZINC000245417567 402458615 /nfs/dbraw/zinc/45/86/15/402458615.db2.gz ACEBJSACESDCDT-GDBMZVCRSA-N 1 0 315.417 2.103 10 0 DEAERO C[C@@H](NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)[C@H](C)CO ZINC000245431598 402460490 /nfs/dbraw/zinc/46/04/90/402460490.db2.gz NEAMEWHBWRQWGI-OWCLPIDISA-N 1 0 321.465 2.213 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC000245431824 402460681 /nfs/dbraw/zinc/46/06/81/402460681.db2.gz NLQPXEOICMMPSY-CKEIUWERSA-N 1 0 318.417 2.158 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC000245439735 402461365 /nfs/dbraw/zinc/46/13/65/402461365.db2.gz TVDGRXKSYABCHY-ZJIFWQFVSA-N 1 0 322.449 2.051 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N[C@H](C)c1cccs1 ZINC000245467539 402464043 /nfs/dbraw/zinc/46/40/43/402464043.db2.gz KALIUFOVRIZWSM-KGLIPLIRSA-N 1 0 309.479 2.341 10 0 DEAERO CC(C)NC(=O)CC[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245479729 402464672 /nfs/dbraw/zinc/46/46/72/402464672.db2.gz WOQZPMLYUNKHTM-YEJXKQKISA-N 1 0 310.463 2.332 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@H](C)C(=O)NC1CCCC1)CC2 ZINC000245500162 402466612 /nfs/dbraw/zinc/46/66/12/402466612.db2.gz ZPLNDGHLSMPKPS-OIISXLGYSA-N 1 0 307.482 2.381 10 0 DEAERO CC(C)Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc(=O)[nH]1 ZINC000245560955 402470726 /nfs/dbraw/zinc/47/07/26/402470726.db2.gz JUFAPOWUTJBPPO-BBRMVZONSA-N 1 0 317.433 2.294 10 0 DEAERO Cc1ccc(OC[C@@H](O)CN(C)CC2([NH+](C)C)CCC2)cc1 ZINC000186936015 402472332 /nfs/dbraw/zinc/47/23/32/402472332.db2.gz JTWYENAVHWIPRF-INIZCTEOSA-N 1 0 306.450 2.151 10 0 DEAERO COc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(C)n1 ZINC000245582595 402472490 /nfs/dbraw/zinc/47/24/90/402472490.db2.gz JWPPVWCHWZVGIS-DGCLKSJQSA-N 1 0 304.394 2.099 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(O)ccc1OC ZINC000186957486 402473788 /nfs/dbraw/zinc/47/37/88/402473788.db2.gz FEFAIRZZWSPWOS-ZDUSSCGKSA-N 1 0 306.406 2.395 10 0 DEAERO Cc1cc(C)c(CC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(C)c1 ZINC000245624542 402475300 /nfs/dbraw/zinc/47/53/00/402475300.db2.gz XXTXRTIIGMFNCO-SJORKVTESA-N 1 0 318.461 2.068 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000187922772 402512883 /nfs/dbraw/zinc/51/28/83/402512883.db2.gz DKRQRROQJPYSPH-KSSFIOAISA-N 1 0 308.466 2.403 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000246138622 402512882 /nfs/dbraw/zinc/51/28/82/402512882.db2.gz FYBIGEHDQVHURU-ZWKOTPCHSA-N 1 0 320.477 2.398 10 0 DEAERO C[C@H](Cc1ccc(O)cc1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245660247 402477462 /nfs/dbraw/zinc/47/74/62/402477462.db2.gz DAKUDFPRCLMYSK-YCPHGPKFSA-N 1 0 319.449 2.447 10 0 DEAERO COc1ccc(O)cc1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000187061337 402480207 /nfs/dbraw/zinc/48/02/07/402480207.db2.gz UBWWJNGOKVEZLH-OAHLLOKOSA-N 1 0 308.422 2.497 10 0 DEAERO COc1ccc(C[C@H](C)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245699509 402480558 /nfs/dbraw/zinc/48/05/58/402480558.db2.gz YVUOMNVHYPYFHC-HOCLYGCPSA-N 1 0 302.418 2.180 10 0 DEAERO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178333102 402485607 /nfs/dbraw/zinc/48/56/07/402485607.db2.gz LBAKERFAEJAZOF-DLBZAZTESA-N 1 0 318.465 2.447 10 0 DEAERO COc1cccc2c1CC[C@@H]2NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245777153 402486893 /nfs/dbraw/zinc/48/68/93/402486893.db2.gz PPERMVUMPGLNKC-BBRMVZONSA-N 1 0 315.417 2.172 10 0 DEAERO COc1cc2c(c(CN3CC[N@@H+]4CCC[C@H]4C3)c1)O[C@H](C)C2 ZINC000245781197 402487864 /nfs/dbraw/zinc/48/78/64/402487864.db2.gz UHARMGMAKHSMPR-CJNGLKHVSA-N 1 0 302.418 2.299 10 0 DEAERO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1-n1cncn1 ZINC000245791727 402488402 /nfs/dbraw/zinc/48/84/02/402488402.db2.gz WIPCLKWERIDCQP-DOTOQJQBSA-N 1 0 313.449 2.490 10 0 DEAERO CCCn1nc(C)c(CN2CC[N@H+](CCOC)[C@@H](CC)C2)c1C ZINC000245788003 402488508 /nfs/dbraw/zinc/48/85/08/402488508.db2.gz VNXVVAMSNJNXTL-KRWDZBQOSA-N 1 0 322.497 2.453 10 0 DEAERO COC[C@H](C)C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000187232306 402489543 /nfs/dbraw/zinc/48/95/43/402489543.db2.gz WHOSAHQIXLZFFO-CABCVRRESA-N 1 0 312.479 2.336 10 0 DEAERO COC[C@@H](C)C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000187273833 402491169 /nfs/dbraw/zinc/49/11/69/402491169.db2.gz FNZGBWZKQWHJLZ-INIZCTEOSA-N 1 0 317.433 2.008 10 0 DEAERO COC(=O)c1ccccc1OCC[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000187952885 402513579 /nfs/dbraw/zinc/51/35/79/402513579.db2.gz CFUGXAMBRAKDQL-RDTXWAMCSA-N 1 0 321.417 2.335 10 0 DEAERO CN(C)c1ccnc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000245868275 402492799 /nfs/dbraw/zinc/49/27/99/402492799.db2.gz LQSAAOUYRHRDFS-FUHWJXTLSA-N 1 0 324.428 2.323 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC(C)(C)OC2(C)C)CC[N@@H+]1C ZINC000245875390 402493349 /nfs/dbraw/zinc/49/33/49/402493349.db2.gz AMLUKMCYSFVIIJ-RDBSUJKOSA-N 1 0 311.470 2.457 10 0 DEAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCCc2ccccn2)C1 ZINC000178403074 402494550 /nfs/dbraw/zinc/49/45/50/402494550.db2.gz OSYJFQORNUMZPD-MRXNPFEDSA-N 1 0 318.465 2.291 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCc1ccccn1 ZINC000178429499 402497645 /nfs/dbraw/zinc/49/76/45/402497645.db2.gz OAUORLAMRIFHMM-MRXNPFEDSA-N 1 0 304.438 2.140 10 0 DEAERO CCCCOC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245928350 402498536 /nfs/dbraw/zinc/49/85/36/402498536.db2.gz XXDNVZPVJGLYHG-GOEBONIOSA-N 1 0 322.449 2.195 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000245959691 402500860 /nfs/dbraw/zinc/50/08/60/402500860.db2.gz RVJGSAMXSKMGQO-QLFBSQMISA-N 1 0 322.474 2.387 10 0 DEAERO CC(C)[C@@H](O)CC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187456038 402501820 /nfs/dbraw/zinc/50/18/20/402501820.db2.gz YWQKCQGQRAXPOT-MSOLQXFVSA-N 1 0 318.461 2.420 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000246057330 402505844 /nfs/dbraw/zinc/50/58/44/402505844.db2.gz BDSPKYWWLAKVRO-UKRRQHHQSA-N 1 0 305.422 2.191 10 0 DEAERO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178515225 402506086 /nfs/dbraw/zinc/50/60/86/402506086.db2.gz YPTAXMSTLYZRHR-OLZOCXBDSA-N 1 0 310.438 2.097 10 0 DEAERO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)C1CC1 ZINC000178519647 402506637 /nfs/dbraw/zinc/50/66/37/402506637.db2.gz NBYPQEXGLISSNO-OAHLLOKOSA-N 1 0 307.482 2.099 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000246094042 402508988 /nfs/dbraw/zinc/50/89/88/402508988.db2.gz GXUQRUFYWJBJFY-SUMWQHHRSA-N 1 0 322.474 2.182 10 0 DEAERO CC[C@H]1CN(C(=O)c2ccc(SC)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246714037 402542231 /nfs/dbraw/zinc/54/22/31/402542231.db2.gz CZFZWRQDAIXFQR-ZFWWWQNUSA-N 1 0 322.474 2.326 10 0 DEAERO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246739510 402542723 /nfs/dbraw/zinc/54/27/23/402542723.db2.gz PCAHDJYQDUUYBI-IKGGRYGDSA-N 1 0 302.418 2.317 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000246828468 402546398 /nfs/dbraw/zinc/54/63/98/402546398.db2.gz DSGSXLXIXVRPMP-DZGCQCFKSA-N 1 0 318.417 2.306 10 0 DEAERO O=C1[C@H]([N@@H+]2CC[C@H]3OCCC[C@H]3C2)CCN1c1ccccc1 ZINC000246868781 402547751 /nfs/dbraw/zinc/54/77/51/402547751.db2.gz UNBKOWTZPXTSPV-USXIJHARSA-N 1 0 300.402 2.293 10 0 DEAERO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000246955738 402550633 /nfs/dbraw/zinc/55/06/33/402550633.db2.gz JLKUOAVMYAFSCO-FVXKBFGUSA-N 1 0 308.466 2.163 10 0 DEAERO COCc1cccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000246957390 402550874 /nfs/dbraw/zinc/55/08/74/402550874.db2.gz DHPPUYMETGGVID-PBHICJAKSA-N 1 0 317.433 2.211 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000262492801 292234931 /nfs/dbraw/zinc/23/49/31/292234931.db2.gz ANRIWFGUVXFREC-ZACQAIPSSA-N 1 0 302.418 2.412 10 0 DEAERO CC1(C)[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@H]2CCO[C@H]21 ZINC000247049052 402554866 /nfs/dbraw/zinc/55/48/66/402554866.db2.gz RYIQAZBKELEPNN-BZUAXINKSA-N 1 0 321.465 2.070 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000247079283 402556276 /nfs/dbraw/zinc/55/62/76/402556276.db2.gz IBZHAVNRLXILJU-HIFRSBDPSA-N 1 0 303.406 2.151 10 0 DEAERO COc1cccc(CCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000247126940 402557297 /nfs/dbraw/zinc/55/72/97/402557297.db2.gz JFXJTMSRPWWMEH-HOCLYGCPSA-N 1 0 302.418 2.323 10 0 DEAERO CC(C)CCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000178945635 402557880 /nfs/dbraw/zinc/55/78/80/402557880.db2.gz CZCMOKQUYOKKTB-HZPDHXFCSA-N 1 0 310.463 2.397 10 0 DEAERO CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2cccs2)CC1 ZINC000171111040 402558631 /nfs/dbraw/zinc/55/86/31/402558631.db2.gz NRNJDOFMSDBLOL-LBPRGKRZSA-N 1 0 324.446 2.200 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000247148684 402558836 /nfs/dbraw/zinc/55/88/36/402558836.db2.gz XMIPPZKDFXZOOI-ARFHVFGLSA-N 1 0 323.481 2.221 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2ccc(C)s2)CC[N@@H+]1C[C@H](C)O ZINC000247214316 402560023 /nfs/dbraw/zinc/56/00/23/402560023.db2.gz CMYNCFNZQQXPGP-WCQYABFASA-N 1 0 311.451 2.365 10 0 DEAERO CSc1ccc(OCCN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000247236477 402560759 /nfs/dbraw/zinc/56/07/59/402560759.db2.gz DIZMGQGRQCCEMY-CABCVRRESA-N 1 0 324.490 2.174 10 0 DEAERO O[C@@H](C[N@@H+]1CCC[C@H](C2OCCO2)C1)c1cc(F)ccc1F ZINC000171141825 402560998 /nfs/dbraw/zinc/56/09/98/402560998.db2.gz RGKJQYRNSCRGKJ-NHYWBVRUSA-N 1 0 313.344 2.083 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCn2cnc3ccccc32)C1 ZINC000247326956 402564238 /nfs/dbraw/zinc/56/42/38/402564238.db2.gz MTOSQXQRIOBMDU-GOEBONIOSA-N 1 0 314.433 2.271 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccccc2N(C)C)C[C@H]1C ZINC000247336536 402564246 /nfs/dbraw/zinc/56/42/46/402564246.db2.gz FWASGJOZFLRIHK-MRXNPFEDSA-N 1 0 305.466 2.295 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)[C@@H](C)C1 ZINC000247442898 402567176 /nfs/dbraw/zinc/56/71/76/402567176.db2.gz SDGAVEPLJIQAMU-DRFQVBMSSA-N 1 0 306.450 2.227 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cnn(-c3ccccc3F)c2C)CC1 ZINC000179143012 402575666 /nfs/dbraw/zinc/57/56/66/402575666.db2.gz LMSYIPZMYYRSSP-UHFFFAOYSA-N 1 0 316.380 2.144 10 0 DEAERO CN(CC(=O)Nc1cccc2c1N=S=N2)CC1(CO)CC1 ZINC000190016582 402570769 /nfs/dbraw/zinc/57/07/69/402570769.db2.gz SBOSYYGWYHKUPA-UHFFFAOYSA-N 1 0 306.391 2.056 10 0 DEAERO C[C@H]1OCCC[C@@H]1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000190098285 402575769 /nfs/dbraw/zinc/57/57/69/402575769.db2.gz FUFFJRPZPCPCHR-OCCSQVGLSA-N 1 0 317.364 2.443 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000247535448 402571196 /nfs/dbraw/zinc/57/11/96/402571196.db2.gz XXTIGUDCYZBRHA-KLHDSHLOSA-N 1 0 311.470 2.221 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2cccc(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000247552303 402572092 /nfs/dbraw/zinc/57/20/92/402572092.db2.gz QBMOZFXOXBAZNX-HOCLYGCPSA-N 1 0 305.422 2.304 10 0 DEAERO CCc1noc(CC)c1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246182528 402516449 /nfs/dbraw/zinc/51/64/49/402516449.db2.gz NDEXXVPUQQDHGA-OLZOCXBDSA-N 1 0 305.422 2.037 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2nc3c(s2)COCC3)C1 ZINC000246281339 402522883 /nfs/dbraw/zinc/52/28/83/402522883.db2.gz BNCREFQBBWVKRM-CMPLNLGQSA-N 1 0 324.450 2.066 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000246300639 402524164 /nfs/dbraw/zinc/52/41/64/402524164.db2.gz PSJJNWJLBXVLOT-XOKHGSTOSA-N 1 0 302.418 2.145 10 0 DEAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000170779507 402524449 /nfs/dbraw/zinc/52/44/49/402524449.db2.gz KECWBQXMCRHLFX-AEFFLSMTSA-N 1 0 304.434 2.275 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1ccc(C)nc1 ZINC000246312984 402524878 /nfs/dbraw/zinc/52/48/78/402524878.db2.gz NRHNDYTXWLCQJY-SJORKVTESA-N 1 0 316.449 2.201 10 0 DEAERO CCCCOCCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246327671 402525264 /nfs/dbraw/zinc/52/52/64/402525264.db2.gz OHDUMOHYLLCYGV-CVEARBPZSA-N 1 0 311.470 2.461 10 0 DEAERO C[C@@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccnc1 ZINC000246368993 402527438 /nfs/dbraw/zinc/52/74/38/402527438.db2.gz QSCQBFFWPFXDNB-OWCLPIDISA-N 1 0 319.449 2.191 10 0 DEAERO Cc1ccc(OCCCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170830074 402530522 /nfs/dbraw/zinc/53/05/22/402530522.db2.gz DGXVTPUJSBLUPR-MRXNPFEDSA-N 1 0 319.449 2.500 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000170863218 402534325 /nfs/dbraw/zinc/53/43/25/402534325.db2.gz LNORVIIIHHMDNI-NSHDSACASA-N 1 0 302.296 2.361 10 0 DEAERO COc1ccc(S[C@@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170865036 402535299 /nfs/dbraw/zinc/53/52/99/402535299.db2.gz AVSHZTLZAIYBOT-QWHCGFSZSA-N 1 0 308.447 2.338 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ncc(C)s2)[C@@H](C)C1 ZINC000246549907 402536428 /nfs/dbraw/zinc/53/64/28/402536428.db2.gz XDYLWHMOIUWZDO-WCQYABFASA-N 1 0 310.467 2.323 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1cccnc1)C1CC1 ZINC000170892140 402538542 /nfs/dbraw/zinc/53/85/42/402538542.db2.gz DGIGZBAASNYDKH-AWEZNQCLSA-N 1 0 304.438 2.486 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000170902047 402540141 /nfs/dbraw/zinc/54/01/41/402540141.db2.gz QHWNYKLFTSMOMG-JSGCOSHPSA-N 1 0 304.390 2.467 10 0 DEAERO O=C(/C=C/c1ccnc(Cl)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000179171646 402578016 /nfs/dbraw/zinc/57/80/16/402578016.db2.gz KPFFITOLNZSUCK-GORDUTHDSA-N 1 0 305.809 2.445 10 0 DEAERO CN(C(=O)CC[N@@H+]1CCCN(C2CC2)CC1)c1ccccc1 ZINC000179204472 402580608 /nfs/dbraw/zinc/58/06/08/402580608.db2.gz YOGHJBRAFSNRMM-UHFFFAOYSA-N 1 0 301.434 2.210 10 0 DEAERO Fc1ccc(-n2ccc(CN3CC[N@@H+]4CCC[C@@H]4C3)n2)c(F)c1 ZINC000190222436 402585333 /nfs/dbraw/zinc/58/53/33/402585333.db2.gz FIYSQQMASVGCBR-OAHLLOKOSA-N 1 0 318.371 2.431 10 0 DEAERO C[C@H]1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCS1 ZINC000171429955 402587155 /nfs/dbraw/zinc/58/71/55/402587155.db2.gz RSFRYGRTVUCZAK-GOEBONIOSA-N 1 0 321.490 2.306 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1n[nH]c2c1CCCCC2 ZINC000190272092 402588958 /nfs/dbraw/zinc/58/89/58/402588958.db2.gz SIYMIAOYOWJQMP-ZDUSSCGKSA-N 1 0 306.454 2.385 10 0 DEAERO Cc1cc2c(cc1NC(=O)N1C[C@@H]3CCC[N@H+]3C[C@H]1C)OCO2 ZINC000248453527 402591362 /nfs/dbraw/zinc/59/13/62/402591362.db2.gz QLHKLVBUDIFZDK-OLZOCXBDSA-N 1 0 317.389 2.424 10 0 DEAERO COCCC[C@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000179517135 402592793 /nfs/dbraw/zinc/59/27/93/402592793.db2.gz VJCBJYOSZMDMSC-KBPBESRZSA-N 1 0 303.406 2.190 10 0 DEAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cnn1-c1ccccc1C ZINC000171586284 402597757 /nfs/dbraw/zinc/59/77/57/402597757.db2.gz RQFSTZNXBXJXNU-MRXNPFEDSA-N 1 0 324.428 2.409 10 0 DEAERO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000179691697 402598211 /nfs/dbraw/zinc/59/82/11/402598211.db2.gz WHYNSLYWTWVYPJ-CQSZACIVSA-N 1 0 318.446 2.249 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCO[C@@H]2CC(C)C)C1 ZINC000248612997 402598903 /nfs/dbraw/zinc/59/89/03/402598903.db2.gz YDXULGSEOFAALO-HRCADAONSA-N 1 0 311.470 2.364 10 0 DEAERO O=C([C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1)N1CCOCC1 ZINC000179890460 402602977 /nfs/dbraw/zinc/60/29/77/402602977.db2.gz LQOURFWTKOGYAQ-AWEZNQCLSA-N 1 0 324.371 2.036 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171639059 402604660 /nfs/dbraw/zinc/60/46/60/402604660.db2.gz ZZSPSXBSSGXPSN-WCQYABFASA-N 1 0 309.360 2.072 10 0 DEAERO O=C(NCCOc1cccc(F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171637064 402604728 /nfs/dbraw/zinc/60/47/28/402604728.db2.gz VMAGNFLTLNZBMG-OAHLLOKOSA-N 1 0 321.396 2.084 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2nc3cccnc3s2)C1 ZINC000248739673 402606352 /nfs/dbraw/zinc/60/63/52/402606352.db2.gz PENWNAMAVVCTGH-CMPLNLGQSA-N 1 0 304.419 2.150 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCOC[C@H]1C)c1ccco1 ZINC000248849419 402611120 /nfs/dbraw/zinc/61/11/20/402611120.db2.gz VSGGPKLBFJYGLZ-RBSFLKMASA-N 1 0 308.422 2.451 10 0 DEAERO C[C@@H](c1cnn(C)c1)N(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000180288698 402612151 /nfs/dbraw/zinc/61/21/51/402612151.db2.gz AWBIEWBIICKBCB-LBPRGKRZSA-N 1 0 321.469 2.432 10 0 DEAERO C[C@@H](CNC(=O)[C@H]1CCOC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000248867385 402612354 /nfs/dbraw/zinc/61/23/54/402612354.db2.gz NNNQZNNCKYBYAK-VYDXJSESSA-N 1 0 304.434 2.296 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CN(C(C)C)C[C@H]2C)C12CCOCC2 ZINC000248907997 402614014 /nfs/dbraw/zinc/61/40/14/402614014.db2.gz BLVFFQZHDYYOHI-LTIDMASMSA-N 1 0 310.482 2.279 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C12CCOCC2 ZINC000248902566 402614062 /nfs/dbraw/zinc/61/40/62/402614062.db2.gz ANPAJCINWXRXEF-BRWVUGGUSA-N 1 0 323.408 2.423 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)[C@@H](C)C1 ZINC000249084507 402620336 /nfs/dbraw/zinc/62/03/36/402620336.db2.gz RWLQURBLOQPZOE-HNKHHVNMSA-N 1 0 308.466 2.426 10 0 DEAERO CCn1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000180653669 402622702 /nfs/dbraw/zinc/62/27/02/402622702.db2.gz CLPTVXYYTRXSKJ-TZMCWYRMSA-N 1 0 302.426 2.284 10 0 DEAERO O=C(Nc1nc2c(s1)CCCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171806930 402624140 /nfs/dbraw/zinc/62/41/40/402624140.db2.gz CFBLEGXZIIUQET-LLVKDONJSA-N 1 0 306.435 2.334 10 0 DEAERO CCc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180797575 402626184 /nfs/dbraw/zinc/62/61/84/402626184.db2.gz BIDTUHWZOPEAIF-DLBZAZTESA-N 1 0 312.417 2.158 10 0 DEAERO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)C[C@@H](O)CC1CCCC1 ZINC000190902767 402630672 /nfs/dbraw/zinc/63/06/72/402630672.db2.gz SEGANJZYKBCTOV-PBHICJAKSA-N 1 0 304.434 2.476 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)NC[C@H]2CCCOC2)ccc1F ZINC000172077493 402639663 /nfs/dbraw/zinc/63/96/63/402639663.db2.gz XFYKOOCCOONFQU-CQSZACIVSA-N 1 0 323.412 2.113 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000249748129 402639946 /nfs/dbraw/zinc/63/99/46/402639946.db2.gz OIKPNBLXGKVYIM-DOTOQJQBSA-N 1 0 318.417 2.068 10 0 DEAERO COC(=O)CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181295619 402640596 /nfs/dbraw/zinc/64/05/96/402640596.db2.gz RDNIRDCXMBYRKR-AWEZNQCLSA-N 1 0 314.389 2.214 10 0 DEAERO Cc1cccc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000249789601 402641767 /nfs/dbraw/zinc/64/17/67/402641767.db2.gz UAAFGNAMTJBWKE-HIFRSBDPSA-N 1 0 304.438 2.310 10 0 DEAERO C[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000172180225 402644019 /nfs/dbraw/zinc/64/40/19/402644019.db2.gz OLRFAPNWYAEISJ-ZNMIVQPWSA-N 1 0 311.470 2.364 10 0 DEAERO COC[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)C1CC1 ZINC000181391041 402644207 /nfs/dbraw/zinc/64/42/07/402644207.db2.gz XOIBIQOHMKBJEW-KGLIPLIRSA-N 1 0 314.223 2.497 10 0 DEAERO COC(=O)c1sc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nc1Cl ZINC000251550282 402648167 /nfs/dbraw/zinc/64/81/67/402648167.db2.gz BEKPCNIKTFUELD-BDAKNGLRSA-N 1 0 315.826 2.256 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(c2ccc(O)cc2)C1=O ZINC000251665317 402648844 /nfs/dbraw/zinc/64/88/44/402648844.db2.gz HGHQCKHAWGXBCX-WFASDCNBSA-N 1 0 302.374 2.289 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(c2ccc(O)cc2)C1=O ZINC000251665313 402648977 /nfs/dbraw/zinc/64/89/77/402648977.db2.gz HGHQCKHAWGXBCX-DOMZBBRYSA-N 1 0 302.374 2.289 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCc2ccc(C)cc2)CC[C@H]1C ZINC000251920366 402651252 /nfs/dbraw/zinc/65/12/52/402651252.db2.gz SIQCJQBJXQDZJH-BFYDXBDKSA-N 1 0 304.434 2.357 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC(C)(C)O2)[C@H](C)C1 ZINC000252031434 402652196 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[NH3+][C@@H]1CCC[C@H](C(=O)Nc2cc3c(cc2F)CCC(=O)N3)C1 ZINC000262027898 402721584 /nfs/dbraw/zinc/72/15/84/402721584.db2.gz YISOZUXBYTXWJD-WDEREUQCSA-N 1 0 305.353 2.166 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC000173885553 402716880 /nfs/dbraw/zinc/71/68/80/402716880.db2.gz USOJKSONJWFZFQ-GJZGRUSLSA-N 1 0 310.463 2.310 10 0 DEAERO COc1ccnc(N2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)c1 ZINC000191333282 402661522 /nfs/dbraw/zinc/66/15/22/402661522.db2.gz HONACZVSBZGJCL-INIZCTEOSA-N 1 0 319.449 2.153 10 0 DEAERO COCC[N@@H+]1CCN(Cc2nccn2-c2ccccc2)C[C@@H]1C ZINC000191336907 402661996 /nfs/dbraw/zinc/66/19/96/402661996.db2.gz MHPZZRXRUOIJDQ-INIZCTEOSA-N 1 0 314.433 2.025 10 0 DEAERO COc1cccc(F)c1[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000173915388 402718868 /nfs/dbraw/zinc/71/88/68/402718868.db2.gz AFUHQCVHXBPHEJ-NEPJUHHUSA-N 1 0 309.385 2.241 10 0 DEAERO COc1cccc(F)c1[C@@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000173915415 402718931 /nfs/dbraw/zinc/71/89/31/402718931.db2.gz AFUHQCVHXBPHEJ-VXGBXAGGSA-N 1 0 309.385 2.241 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[C@@H]1CCCCO1 ZINC000182195911 402671129 /nfs/dbraw/zinc/67/11/29/402671129.db2.gz RHNMWWHCOPIRDM-OAGGEKHMSA-N 1 0 309.454 2.214 10 0 DEAERO COc1cc([C@@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)ccn1 ZINC000566474751 292245772 /nfs/dbraw/zinc/24/57/72/292245772.db2.gz HYJUAEFIYODFEO-CYBMUJFWSA-N 1 0 308.422 2.309 10 0 DEAERO O=C(CC[N@@H+]1CCC[C@H](n2cncn2)C1)c1ccc(F)cc1 ZINC000182243456 402675059 /nfs/dbraw/zinc/67/50/59/402675059.db2.gz HNVNQRBPQYRWHJ-HNNXBMFYSA-N 1 0 302.353 2.327 10 0 DEAERO CCN(C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1)C1CCCCC1 ZINC000172801281 402675757 /nfs/dbraw/zinc/67/57/57/402675757.db2.gz HEOJJICENQOUSZ-QGZVFWFLSA-N 1 0 307.482 2.338 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc(F)c1C ZINC000173025574 402682793 /nfs/dbraw/zinc/68/27/93/402682793.db2.gz CFVTWSIDXRECLZ-LLVKDONJSA-N 1 0 302.415 2.143 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C12CCC2 ZINC000261958374 402720208 /nfs/dbraw/zinc/72/02/08/402720208.db2.gz PFIWJUZMMVREIE-UHDSXZAQSA-N 1 0 308.466 2.081 10 0 DEAERO Fc1cc2cccnc2c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000173932445 402720287 /nfs/dbraw/zinc/72/02/87/402720287.db2.gz ZMQNUSSGTTZPFJ-KRWDZBQOSA-N 1 0 315.392 2.280 10 0 DEAERO CCOC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC)C(C)C ZINC000191819494 402694854 /nfs/dbraw/zinc/69/48/54/402694854.db2.gz IZVXSIHYJHQVJX-XHSDSOJGSA-N 1 0 311.470 2.316 10 0 DEAERO Cc1cc(N2CC[C@H](N3CCC[C@@H]3c3ccco3)C2=O)n(C)n1 ZINC000173414490 402696691 /nfs/dbraw/zinc/69/66/91/402696691.db2.gz ISSCOCPGRRLSQX-KGLIPLIRSA-N 1 0 314.389 2.264 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](C)CC[C@H]2C)C1 ZINC000173488559 402699638 /nfs/dbraw/zinc/69/96/38/402699638.db2.gz ZJXBUJGKWIGREL-BZUAXINKSA-N 1 0 311.470 2.173 10 0 DEAERO Cc1csc([C@@H]2CN(C[C@@H]3CC4(CCC4)C(=O)O3)CCO2)n1 ZINC000191977104 402702127 /nfs/dbraw/zinc/70/21/27/402702127.db2.gz VSMPAKBVMKKDGW-STQMWFEESA-N 1 0 322.430 2.311 10 0 DEAERO O=C(NCCCOC1CCCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173542784 402702557 /nfs/dbraw/zinc/70/25/57/402702557.db2.gz SBJKUNKRGKGQQF-INIZCTEOSA-N 1 0 321.465 2.382 10 0 DEAERO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000182906325 402725582 /nfs/dbraw/zinc/72/55/82/402725582.db2.gz GKYVWGPZFPPHLZ-HIFRSBDPSA-N 1 0 316.405 2.114 10 0 DEAERO CCc1cnc(CCNC(=O)NC[C@@H](C)C[NH+]2CCCC2)s1 ZINC000174111589 402727183 /nfs/dbraw/zinc/72/71/83/402727183.db2.gz AIYPNBVTSWCYGL-CYBMUJFWSA-N 1 0 324.494 2.279 10 0 DEAERO COC(=O)C1CCC([NH2+]Cc2cccnc2-n2ccnc2)CC1 ZINC000192438956 402728782 /nfs/dbraw/zinc/72/87/82/402728782.db2.gz PGMWVVMIGBJDGK-UHFFFAOYSA-N 1 0 314.389 2.089 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CC(C)(C)c2ccccc2)C[C@H]1C ZINC000174305844 402735677 /nfs/dbraw/zinc/73/56/77/402735677.db2.gz VWCDMGQTTXCILW-HZPDHXFCSA-N 1 0 318.461 2.268 10 0 DEAERO Cc1ccc2cccc(-c3nc([C@H]4C[NH2+]CCN4C)no3)c2n1 ZINC000263232493 402748585 /nfs/dbraw/zinc/74/85/85/402748585.db2.gz NOKSYLVMDHFBPQ-CQSZACIVSA-N 1 0 309.373 2.169 10 0 DEAERO CCc1ccc(CC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)cc1 ZINC000174625849 402749030 /nfs/dbraw/zinc/74/90/30/402749030.db2.gz JCTFZJAFXGXGFH-QAPCUYQASA-N 1 0 318.461 2.095 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-c3nnc(C)o3)c2)C1 ZINC000174646065 402750250 /nfs/dbraw/zinc/75/02/50/402750250.db2.gz VJXDGIHVSNFVGK-HNNXBMFYSA-N 1 0 314.389 2.259 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(F)cc3cccnc32)[C@H](C)C1 ZINC000192815715 402751787 /nfs/dbraw/zinc/75/17/87/402751787.db2.gz UKQCRGIQJBLAOG-ZIAGYGMSSA-N 1 0 317.408 2.261 10 0 DEAERO CC[C@@H](C)NC(=O)CN(CC(=O)N[C@@H](C)CC)[C@@H](C)C(C)C ZINC000192938477 402757481 /nfs/dbraw/zinc/75/74/81/402757481.db2.gz ZNTLVVNNGPRMEI-ZNMIVQPWSA-N 1 0 313.486 2.162 10 0 DEAERO CCCn1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000183334452 402757621 /nfs/dbraw/zinc/75/76/21/402757621.db2.gz HHYCPAKCYPBONL-IAGOWNOFSA-N 1 0 312.417 2.468 10 0 DEAERO CCc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n(C)n1 ZINC000174820366 402759245 /nfs/dbraw/zinc/75/92/45/402759245.db2.gz XHXWYPUPTCPHEU-CABCVRRESA-N 1 0 319.453 2.462 10 0 DEAERO Cc1cnc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)s1 ZINC000174922587 402763893 /nfs/dbraw/zinc/76/38/93/402763893.db2.gz ZQXZPQOHKQCTLA-STQMWFEESA-N 1 0 306.435 2.168 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccccc1C ZINC000175034871 402772914 /nfs/dbraw/zinc/77/29/14/402772914.db2.gz GSJTVAKJKQDYIH-JKSUJKDBSA-N 1 0 301.434 2.492 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1cccc(OC)c1 ZINC000175030478 402772984 /nfs/dbraw/zinc/77/29/84/402772984.db2.gz VBRUFTJVXKKWDR-LSDHHAIUSA-N 1 0 318.417 2.159 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1noc2ccccc21 ZINC000175042705 402774004 /nfs/dbraw/zinc/77/40/04/402774004.db2.gz PXPORAQCMQUJRM-UONOGXRCSA-N 1 0 313.401 2.456 10 0 DEAERO CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCn3ccnc32)CC1 ZINC000175041939 402774193 /nfs/dbraw/zinc/77/41/93/402774193.db2.gz QZFIAFXUWPRUSW-OAHLLOKOSA-N 1 0 304.438 2.093 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCOc2ccccc21 ZINC000183573292 402777266 /nfs/dbraw/zinc/77/72/66/402777266.db2.gz ONVZYMOURIDSKM-CYBMUJFWSA-N 1 0 311.385 2.444 10 0 DEAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCCOC)C1 ZINC000173968861 402722490 /nfs/dbraw/zinc/72/24/90/402722490.db2.gz MONUQKRDRHQPDC-LBPRGKRZSA-N 1 0 310.360 2.146 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)c2ncc(C)s2)C1 ZINC000183688560 402789378 /nfs/dbraw/zinc/78/93/78/402789378.db2.gz CHXBSWCAERPEIA-YPMHNXCESA-N 1 0 310.467 2.339 10 0 DEAERO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000183704338 402790617 /nfs/dbraw/zinc/79/06/17/402790617.db2.gz YZIAUMLWYMTPLE-ZDUSSCGKSA-N 1 0 316.405 2.477 10 0 DEAERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000183712211 402790850 /nfs/dbraw/zinc/79/08/50/402790850.db2.gz GLTASKIAFNCOFF-TZMCWYRMSA-N 1 0 309.406 2.439 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000194317757 402792228 /nfs/dbraw/zinc/79/22/28/402792228.db2.gz MRBMXXHNNCLBEO-LBPRGKRZSA-N 1 0 307.394 2.310 10 0 DEAERO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183787732 402797393 /nfs/dbraw/zinc/79/73/93/402797393.db2.gz IJVMQYWRORYRIA-CVEARBPZSA-N 1 0 318.465 2.287 10 0 DEAERO CCN(C(C)=O)c1nc(CN(C)C[C@H]2CCC[N@@H+]2CC)cs1 ZINC000175344494 402798914 /nfs/dbraw/zinc/79/89/14/402798914.db2.gz VLSHSTYIUNFVIZ-OAHLLOKOSA-N 1 0 324.494 2.432 10 0 DEAERO CCOc1ccccc1NC(=O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175357510 402799683 /nfs/dbraw/zinc/79/96/83/402799683.db2.gz JAZQXBCBAMHCDF-HNNXBMFYSA-N 1 0 319.449 2.440 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000175391351 402802479 /nfs/dbraw/zinc/80/24/79/402802479.db2.gz YQBZDGGHQOCEAT-MRXNPFEDSA-N 1 0 322.474 2.280 10 0 DEAERO C[NH+](C)Cc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000194601918 402804890 /nfs/dbraw/zinc/80/48/90/402804890.db2.gz DMKVAYBVJBXACH-QGZVFWFLSA-N 1 0 301.434 2.059 10 0 DEAERO C[C@@H](C(=O)NCc1cccnc1N(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000194666163 402808382 /nfs/dbraw/zinc/80/83/82/402808382.db2.gz XYJPIEUFHKLRFM-MJBXVCDLSA-N 1 0 304.438 2.025 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000175471322 402809403 /nfs/dbraw/zinc/80/94/03/402809403.db2.gz GGEIKQOZVRYRRR-HNNXBMFYSA-N 1 0 321.469 2.022 10 0 DEAERO Cc1ccc2c(c1)nc(CNC(=O)c1c[nH+]ccc1N(C)C)n2C ZINC000184015129 402812200 /nfs/dbraw/zinc/81/22/00/402812200.db2.gz QRKXQDKYGRIVGJ-UHFFFAOYSA-N 1 0 323.400 2.273 10 0 DEAERO CCOC[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000175514567 402813644 /nfs/dbraw/zinc/81/36/44/402813644.db2.gz IEHLYBDQIPEWBN-DLBZAZTESA-N 1 0 304.434 2.044 10 0 DEAERO COc1ccc2c(CC(=O)NC[C@H]3CCC[N@@H+]3C)coc2c1 ZINC000194743846 402814235 /nfs/dbraw/zinc/81/42/35/402814235.db2.gz JJVCSUOYYJYFQI-CYBMUJFWSA-N 1 0 302.374 2.194 10 0 DEAERO C[C@H](CNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000184067306 402815545 /nfs/dbraw/zinc/81/55/45/402815545.db2.gz BEGKYCHOYGBQAV-GVDBMIGSSA-N 1 0 323.525 2.449 10 0 DEAERO C[C@H](CNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000184067254 402815743 /nfs/dbraw/zinc/81/57/43/402815743.db2.gz BEGKYCHOYGBQAV-ZACQAIPSSA-N 1 0 323.525 2.449 10 0 DEAERO Cc1cc2c(cc1C)[C@H](C(=O)N1CCC([NH+](C)C)CC1)CO2 ZINC000184067489 402815777 /nfs/dbraw/zinc/81/57/77/402815777.db2.gz LRARVSSGIAXLAG-MRXNPFEDSA-N 1 0 302.418 2.332 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)NCCc2ncc(CC)s2)C1 ZINC000175554250 402816917 /nfs/dbraw/zinc/81/69/17/402816917.db2.gz NREWEWOWBNFVHC-CYBMUJFWSA-N 1 0 324.494 2.279 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000184111225 402818970 /nfs/dbraw/zinc/81/89/70/402818970.db2.gz YQMJSVGDDZUMSH-MAZHCROVSA-N 1 0 315.417 2.225 10 0 DEAERO C[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000175587603 402819584 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C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2F)CCO1 ZINC000184515632 402848500 /nfs/dbraw/zinc/84/85/00/402848500.db2.gz CJQMNTFETZGBMV-SECBINFHSA-N 1 0 318.751 2.021 10 0 DEAERO Cc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000184525063 402848946 /nfs/dbraw/zinc/84/89/46/402848946.db2.gz YCQFKYQMPXVFHS-DOTOQJQBSA-N 1 0 324.428 2.489 10 0 DEAERO FC(F)(F)COCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195516005 402849248 /nfs/dbraw/zinc/84/92/48/402849248.db2.gz KBMWOGHELXPDOR-GFCCVEGCSA-N 1 0 303.328 2.394 10 0 DEAERO CCc1nnc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)n1C ZINC000195518401 402850097 /nfs/dbraw/zinc/85/00/97/402850097.db2.gz VTZNABAFIUNZQS-UHFFFAOYSA-N 1 0 315.465 2.378 10 0 DEAERO CN(C[C@H](O)C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274148690 403031227 /nfs/dbraw/zinc/03/12/27/403031227.db2.gz KQCPEFOEZJPFFH-KBPBESRZSA-N 1 0 302.340 2.116 10 0 DEAERO CCCCOC[C@H](O)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000280165288 402970743 /nfs/dbraw/zinc/97/07/43/402970743.db2.gz 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10 0 DEAERO CC[C@H]1CN(c2nc(C)nc3c2CCCC3)CC[N@@H+]1CCOC ZINC000302056443 403706992 /nfs/dbraw/zinc/70/69/92/403706992.db2.gz QRSXNBHKTMWDGU-HNNXBMFYSA-N 1 0 318.465 2.211 10 0 DEAERO C[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(-c2nncs2)cc1 ZINC000333324896 403724989 /nfs/dbraw/zinc/72/49/89/403724989.db2.gz NLMIYLLVWRLDBB-SNVBAGLBSA-N 1 0 303.391 2.031 10 0 DEAERO O=C(Nc1nc(C2CCOCC2)cs1)N[C@@H]1CCCC[NH2+]C1 ZINC000333340325 403729153 /nfs/dbraw/zinc/72/91/53/403729153.db2.gz POLALKOLFITLHE-GFCCVEGCSA-N 1 0 324.450 2.301 10 0 DEAERO Cc1ncc(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c(C2CC2)n1 ZINC000333365966 403735857 /nfs/dbraw/zinc/73/58/57/403735857.db2.gz YDXQMBGDSHZBKQ-HNNXBMFYSA-N 1 0 317.437 2.466 10 0 DEAERO Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333658833 403805927 /nfs/dbraw/zinc/80/59/27/403805927.db2.gz AVOXQCADJFRUDV-UKRRQHHQSA-N 1 0 313.405 2.190 10 0 DEAERO Cc1csc([C@H](C)CNC(=O)N2CCC3(CC[NH2+]C3)CC2)n1 ZINC000333685844 403815846 /nfs/dbraw/zinc/81/58/46/403815846.db2.gz CCPGRXZGAIJEIA-GFCCVEGCSA-N 1 0 322.478 2.340 10 0 DEAERO Cc1cncc(-c2nc(CN3C[C@H]4CCC[N@H+]4C[C@H]3C)no2)c1 ZINC000333541106 403776828 /nfs/dbraw/zinc/77/68/28/403776828.db2.gz LCDOJDZSBPLHCX-UKRRQHHQSA-N 1 0 313.405 2.109 10 0 DEAERO O=C1[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)N1Cc1ccc2c[nH+]cn2c1 ZINC000333592615 403787107 /nfs/dbraw/zinc/78/71/07/403787107.db2.gz VHOZNLIQSBOFPF-KBMXLJTQSA-N 1 0 324.384 2.430 10 0 DEAERO CC(C)O[C@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1(C)C ZINC000333626198 403796842 /nfs/dbraw/zinc/79/68/42/403796842.db2.gz SFOAFHIQYRJDHA-GJZGRUSLSA-N 1 0 323.481 2.364 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@H]12 ZINC000333880800 403896411 /nfs/dbraw/zinc/89/64/11/403896411.db2.gz DKPXYOTYWSRMIY-VNQPRFMTSA-N 1 0 321.428 2.201 10 0 DEAERO CCc1cnccc1[C@H](C)NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333757562 403848641 /nfs/dbraw/zinc/84/86/41/403848641.db2.gz ABLJVFJZAUGPJR-ZDUSSCGKSA-N 1 0 302.422 2.243 10 0 DEAERO CCC[C@H](O)C[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000295948824 404023617 /nfs/dbraw/zinc/02/36/17/404023617.db2.gz LQDKVSRUVDVUGG-JKSUJKDBSA-N 1 0 319.449 2.296 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)CC2 ZINC000369638036 404174376 /nfs/dbraw/zinc/17/43/76/404174376.db2.gz KTHPMEFNJWTZNK-STQMWFEESA-N 1 0 318.465 2.237 10 0 DEAERO C[C@@H]1NC(=S)N(C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1=O ZINC000369676931 404189051 /nfs/dbraw/zinc/18/90/51/404189051.db2.gz BMPJEGMOMIDKBQ-GVXVVHGQSA-N 1 0 323.487 2.236 10 0 DEAERO Cc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2C)o1 ZINC000290569484 404224050 /nfs/dbraw/zinc/22/40/50/404224050.db2.gz WODDRYFAKIVRQT-DGCLKSJQSA-N 1 0 301.394 2.056 10 0 DEAERO Cc1cccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)n1 ZINC000329564592 404377692 /nfs/dbraw/zinc/37/76/92/404377692.db2.gz HAHCRVXFXDCPRK-XJKSGUPXSA-N 1 0 300.362 2.366 10 0 DEAERO Cc1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)nc(C)n1 ZINC000329668405 404415887 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404960948 /nfs/dbraw/zinc/96/09/48/404960948.db2.gz OHFMXXJTCXKSCC-UHFFFAOYSA-N 1 0 307.442 2.397 10 0 DEAERO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cn(C)nc2C(C)C)C[C@@H]1C ZINC000435173200 404961160 /nfs/dbraw/zinc/96/11/60/404961160.db2.gz IZPPSTYRJJPHPI-STQMWFEESA-N 1 0 307.442 2.490 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)[C@H]1C[C@@H](C)CC[NH2+]1)CC2 ZINC000423911912 404925714 /nfs/dbraw/zinc/92/57/14/404925714.db2.gz SKAYKPJZJDJXEY-SCLBCKFNSA-N 1 0 314.429 2.205 10 0 DEAERO Cc1ccc(Br)c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000389700273 405038087 /nfs/dbraw/zinc/03/80/87/405038087.db2.gz IFBAFPAIZFFDFC-GXFFZTMASA-N 1 0 311.223 2.485 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)ccc2F)C1 ZINC000389989318 405042633 /nfs/dbraw/zinc/04/26/33/405042633.db2.gz MVLPXVQNIVENHS-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H]2COCC2(C)C)c1 ZINC000451815537 405049658 /nfs/dbraw/zinc/04/96/58/405049658.db2.gz ZYFFWARBVQLQOF-ABAIWWIYSA-N 1 0 304.390 2.231 10 0 DEAERO C[C@]1(C[NH2+][C@H]2CCCNC(=O)C2)CCCN1Cc1ccccc1 ZINC000397967862 405059916 /nfs/dbraw/zinc/05/99/16/405059916.db2.gz YRHJANRJGZLBDC-PKOBYXMFSA-N 1 0 315.461 2.299 10 0 DEAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCOCC[C@@H]1C ZINC000367629546 405108445 /nfs/dbraw/zinc/10/84/45/405108445.db2.gz KXSXKLJNVWSEDA-QXSJWSMHSA-N 1 0 311.470 2.173 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000367654168 405114039 /nfs/dbraw/zinc/11/40/39/405114039.db2.gz BREWUWPNGBSCBY-CQSZACIVSA-N 1 0 316.401 2.174 10 0 DEAERO C[NH+](C)C1(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CCCC1 ZINC000408345224 405179999 /nfs/dbraw/zinc/17/99/99/405179999.db2.gz IDKYPQXPYLCNTF-CRAIPNDOSA-N 1 0 323.481 2.197 10 0 DEAERO CC[NH+](CC)CC1CCN([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000361699743 405203786 /nfs/dbraw/zinc/20/37/86/405203786.db2.gz RMAJVRWYWDJCLB-ZDUSSCGKSA-N 1 0 306.458 2.123 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)N2CCC([N@H+](C)CCO)CC2)CC1 ZINC000408434141 405205673 /nfs/dbraw/zinc/20/56/73/405205673.db2.gz 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/nfs/dbraw/zinc/56/23/72/405562372.db2.gz LSLXVCRFVRABIX-UHFFFAOYSA-N 1 0 310.341 2.075 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(OC)c(C)c2)CC12COC2 ZINC000449356941 405525396 /nfs/dbraw/zinc/52/53/96/405525396.db2.gz CWSAHKDOZWXBLL-OAHLLOKOSA-N 1 0 319.401 2.015 10 0 DEAERO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2ccnn2C)c(OC)c1 ZINC000449466316 405573939 /nfs/dbraw/zinc/57/39/39/405573939.db2.gz FQLFCWKEUUAZOL-GFCCVEGCSA-N 1 0 319.405 2.167 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)c2ccc(Br)c(F)c2)C[NH2+]1 ZINC000638651812 405595657 /nfs/dbraw/zinc/59/56/57/405595657.db2.gz HASZRAHKPHXRAP-PSASIEDQSA-N 1 0 315.186 2.459 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)c2cc(F)ccc2Br)C[NH2+]1 ZINC000638656436 405599621 /nfs/dbraw/zinc/59/96/21/405599621.db2.gz ZFBHMFIMYNPEBU-WPRPVWTQSA-N 1 0 315.186 2.459 10 0 DEAERO Cc1csc(NC(=O)C[NH2+][C@H]2CCCC23CCOCC3)n1 ZINC000558628982 405677477 /nfs/dbraw/zinc/67/74/77/405677477.db2.gz DSNKOBWAFLFOHF-LBPRGKRZSA-N 1 0 309.435 2.329 10 0 DEAERO [NH3+][C@H]1CCCCCN(C(=O)c2cncc(Br)c2)C1 ZINC000638819239 405690674 /nfs/dbraw/zinc/69/06/74/405690674.db2.gz YDFBNTZBTDORSQ-LBPRGKRZSA-N 1 0 312.211 2.188 10 0 DEAERO C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000638888330 405742653 /nfs/dbraw/zinc/74/26/53/405742653.db2.gz XOZBXHDKLWCYMH-ZYHUDNBSSA-N 1 0 311.223 2.045 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](NC(=O)c2nscc2Br)CC1 ZINC000638950065 405779332 /nfs/dbraw/zinc/77/93/32/405779332.db2.gz IYZPEXFFEPYSRG-ZKCHVHJHSA-N 1 0 318.240 2.153 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CC[C@@H](C)O2)CC1 ZINC000459171144 405780929 /nfs/dbraw/zinc/78/09/29/405780929.db2.gz PSLWLQZMNQLALM-ZBFHGGJFSA-N 1 0 311.470 2.317 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)Cc1ccc(C)c(C)c1 ZINC000457320455 405798702 /nfs/dbraw/zinc/79/87/02/405798702.db2.gz MPUJBFODWACWRX-MSOLQXFVSA-N 1 0 318.461 2.197 10 0 DEAERO CCCN(CC[NH+](C)C)C(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457541651 405890325 /nfs/dbraw/zinc/89/03/25/405890325.db2.gz PZQZKBAJRNEQAX-UHFFFAOYSA-N 1 0 306.406 2.195 10 0 DEAERO Cc1ccc([C@@H](C)C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000561505465 405934763 /nfs/dbraw/zinc/93/47/63/405934763.db2.gz VHHBROYLYBPTDA-UQHVZDHRSA-N 1 0 315.417 2.209 10 0 DEAERO CCn1nncc1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000459429649 405901358 /nfs/dbraw/zinc/90/13/58/405901358.db2.gz PXWMZTCJTRZKTR-UHFFFAOYSA-N 1 0 314.433 2.115 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCOCC2CCC2)C1 ZINC000562282709 405974651 /nfs/dbraw/zinc/97/46/51/405974651.db2.gz HEJOTPBVSJMZBC-INIZCTEOSA-N 1 0 311.470 2.176 10 0 DEAERO C=Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000451060462 406034868 /nfs/dbraw/zinc/03/48/68/406034868.db2.gz WYAAHUNBROTHLK-CQSZACIVSA-N 1 0 308.447 2.482 10 0 DEAERO COc1nsc(C[NH2+]CC2=CCOCC2)c1Br ZINC000639220471 405984132 /nfs/dbraw/zinc/98/41/32/405984132.db2.gz WZHHHDWCSGBXAW-UHFFFAOYSA-N 1 0 319.224 2.351 10 0 DEAERO Cn1ccc([C@H]([NH2+]CCC2CC(O)C2)c2ccc(F)cc2)n1 ZINC000562413237 406004307 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c1c(C[N@H+](CCC2CC2)CC2CC2)nnn1C[C@@H]1CCOC1 ZINC000639327235 406046680 /nfs/dbraw/zinc/04/66/80/406046680.db2.gz MXKKNKIQMFBTGK-INIZCTEOSA-N 1 0 304.438 2.327 10 0 DEAERO C(CC1CCOCC1)[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000639328726 406048131 /nfs/dbraw/zinc/04/81/31/406048131.db2.gz FNFBCVRHKTXCCA-IAGOWNOFSA-N 1 0 308.466 2.036 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)C2)ccn1 ZINC000639353918 406061971 /nfs/dbraw/zinc/06/19/71/406061971.db2.gz BLCDJKYZJYRICV-FCGDIQPGSA-N 1 0 315.461 2.308 10 0 DEAERO C[C@@H]1CCN(C(=O)NCCOCC[NH+](C)C)[C@H](c2ccco2)C1 ZINC000471631991 406103102 /nfs/dbraw/zinc/10/31/02/406103102.db2.gz ADLRLUDOFCQAEJ-CABCVRRESA-N 1 0 323.437 2.340 10 0 DEAERO C[C@@H]1C[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471668753 406107773 /nfs/dbraw/zinc/10/77/73/406107773.db2.gz LYJQIACMXRWRLK-HYVNUMGLSA-N 1 0 301.434 2.464 10 0 DEAERO CO[C@H]1CC[C@@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000472339894 406138956 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CC1(C)C[NH2+]CC[C@H](NC(=O)c2cc(Br)c[nH]2)C1 ZINC000634755618 406267033 /nfs/dbraw/zinc/26/70/33/406267033.db2.gz CSEJHIUCNWBWSO-JTQLQIEISA-N 1 0 314.227 2.285 10 0 DEAERO CC(=O)c1ccc(CC(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000632861731 406295290 /nfs/dbraw/zinc/29/52/90/406295290.db2.gz UNEZZGBSRLKFTL-SJORKVTESA-N 1 0 300.402 2.032 10 0 DEAERO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C)c1ccc(Cl)cc1 ZINC000488738047 406342868 /nfs/dbraw/zinc/34/28/68/406342868.db2.gz YQYULPOUIDSIGF-SCRDCRAPSA-N 1 0 310.825 2.220 10 0 DEAERO C[C@]1(CO)CCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000546115104 406351373 /nfs/dbraw/zinc/35/13/73/406351373.db2.gz ITXIECYHVIVKJT-GOSISDBHSA-N 1 0 302.418 2.269 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000634985239 406385749 /nfs/dbraw/zinc/38/57/49/406385749.db2.gz ODPPRELOMOSHHO-UONOGXRCSA-N 1 0 301.452 2.035 10 0 DEAERO C([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1nnc2n1CCCC2 ZINC000547397037 406406525 /nfs/dbraw/zinc/40/65/25/406406525.db2.gz CLANFBNGDVIXST-QLFBSQMISA-N 1 0 304.438 2.299 10 0 DEAERO CC(C)(C)c1csc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)n1 ZINC000634960567 406372085 /nfs/dbraw/zinc/37/20/85/406372085.db2.gz VMTNACCYBIQLRX-NSHDSACASA-N 1 0 316.492 2.498 10 0 DEAERO COC[C@@](C)(O)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000547659427 406429031 /nfs/dbraw/zinc/42/90/31/406429031.db2.gz HQRYSWIIWMXCQY-KGLIPLIRSA-N 1 0 318.339 2.465 10 0 DEAERO CCC[N@H+](C[C@@H](O)COC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490033541 406447206 /nfs/dbraw/zinc/44/72/06/406447206.db2.gz MYBKSIZQXKLUSN-HUUCEWRRSA-N 1 0 308.422 2.041 10 0 DEAERO CC(C)(C)NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637871984 406456209 /nfs/dbraw/zinc/45/62/09/406456209.db2.gz XFBPJOHYQWPPPX-UHFFFAOYSA-N 1 0 303.450 2.285 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC1CCCCCC1 ZINC000637875326 406457844 /nfs/dbraw/zinc/45/78/44/406457844.db2.gz SPXXSKKYJOHIMW-KRWDZBQOSA-N 1 0 303.450 2.285 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](COC)C(C)C)CC1 ZINC000524783546 406461076 /nfs/dbraw/zinc/46/10/76/406461076.db2.gz RBSSUAXJAVNZSO-INIZCTEOSA-N 1 0 313.486 2.421 10 0 DEAERO C[C@H](NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)c1cccs1 ZINC000637885240 406462274 /nfs/dbraw/zinc/46/22/74/406462274.db2.gz JKNUQQNQYBRZGP-ZFWWWQNUSA-N 1 0 317.458 2.385 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637886299 406462489 /nfs/dbraw/zinc/46/24/89/406462489.db2.gz GFFKCXDLVOUXDF-ZDUSSCGKSA-N 1 0 302.827 2.129 10 0 DEAERO [NH3+][C@@H]1CC=C(C(=O)N2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000638023006 406528093 /nfs/dbraw/zinc/52/80/93/406528093.db2.gz KQTMCSHYNDEVEL-NVXWUHKLSA-N 1 0 300.402 2.099 10 0 DEAERO CC(=O)N1CCCc2cc(NC(=O)C[C@@H]3CC[N@@H+](C)C3)ccc21 ZINC000635475170 406553558 /nfs/dbraw/zinc/55/35/58/406553558.db2.gz YXYUZNDMIHRTDO-AWEZNQCLSA-N 1 0 315.417 2.266 10 0 DEAERO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000571762015 406562792 /nfs/dbraw/zinc/56/27/92/406562792.db2.gz WWBLIAKKXFDGCZ-INIZCTEOSA-N 1 0 318.446 2.340 10 0 DEAERO CC(C)C[C@@H]1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000637992954 406514193 /nfs/dbraw/zinc/51/41/93/406514193.db2.gz WIKGQGAJQYUMEJ-ROUUACIJSA-N 1 0 317.477 2.340 10 0 DEAERO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638006997 406520859 /nfs/dbraw/zinc/52/08/59/406520859.db2.gz JYQDPKVVNOAYFV-OIISXLGYSA-N 1 0 303.450 2.093 10 0 DEAERO CC(=O)N1CCC([NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000552071809 406681424 /nfs/dbraw/zinc/68/14/24/406681424.db2.gz AASLZCNSDVNPRB-UHFFFAOYSA-N 1 0 312.417 2.188 10 0 DEAERO c1nc(C2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)c[nH]1 ZINC000552300487 406702186 /nfs/dbraw/zinc/70/21/86/406702186.db2.gz KPSZMXAJTQNKHM-UHFFFAOYSA-N 1 0 312.421 2.180 10 0 DEAERO CC(C)CC1(NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638431274 406767701 /nfs/dbraw/zinc/76/77/01/406767701.db2.gz SNMFMTASWXPYOW-INIZCTEOSA-N 1 0 303.450 2.141 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1nc2ccccc2o1 ZINC000572692428 406719267 /nfs/dbraw/zinc/71/92/67/406719267.db2.gz GMKPACZMEPQOEZ-AWEZNQCLSA-N 1 0 301.390 2.361 10 0 DEAERO CCc1nc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cs1 ZINC000554937696 406829823 /nfs/dbraw/zinc/82/98/23/406829823.db2.gz MEZYTFRMWDXBRP-SWLSCSKDSA-N 1 0 310.463 2.363 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1ccc(Cl)cc1Cl ZINC000643619215 407018384 /nfs/dbraw/zinc/01/83/84/407018384.db2.gz PTOZSDXONZXTQU-NXEZZACHSA-N 1 0 317.216 2.407 10 0 DEAERO C[C@@H](O)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000092970675 287077003 /nfs/dbraw/zinc/07/70/03/287077003.db2.gz SOYJEMDOCAWWES-OAHLLOKOSA-N 1 0 304.434 2.116 10 0 DEAERO CC[C@@H]1CN(C(=O)CCCc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000174615199 287133418 /nfs/dbraw/zinc/13/34/18/287133418.db2.gz ZCAFFIFMBHTXNN-SJLPKXTDSA-N 1 0 318.461 2.313 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC(=O)OC(C)(C)C ZINC000192324666 287219464 /nfs/dbraw/zinc/21/94/64/287219464.db2.gz OEKGJSMQULQXPU-ZIAGYGMSSA-N 1 0 310.438 2.194 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(CCOC)CCC1 ZINC000119459338 287219870 /nfs/dbraw/zinc/21/98/70/287219870.db2.gz ABIUWRMDBTXLEW-HZPDHXFCSA-N 1 0 323.481 2.461 10 0 DEAERO CS(=O)(=O)c1ccc(Cl)c(N[C@@H]2CCC[NH2+]CC2)c1 ZINC000128984104 196009683 /nfs/dbraw/zinc/00/96/83/196009683.db2.gz TYXISZIRTWRXAO-SNVBAGLBSA-N 1 0 302.827 2.298 10 0 DEAERO CCC[NH2+]C[C@@H](C)[C@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129075381 196017697 /nfs/dbraw/zinc/01/76/97/196017697.db2.gz KKBMLJWOZJMYRF-KFWWJZLASA-N 1 0 304.500 2.320 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ncccc2C)[C@H](C)C1 ZINC000129082966 196018518 /nfs/dbraw/zinc/01/85/18/196018518.db2.gz CBFVXUMIJPCYOO-ZBFHGGJFSA-N 1 0 304.438 2.262 10 0 DEAERO C[C@@H]1CC[C@@H](CC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000129100091 196019510 /nfs/dbraw/zinc/01/95/10/196019510.db2.gz CYQHXFJGFGGOPF-KURKYZTESA-N 1 0 321.509 2.441 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H]([NH3+])[C@H](OC)C1CC1 ZINC000129130496 196021887 /nfs/dbraw/zinc/02/18/87/196021887.db2.gz JYQQBCPOLRWILA-ZWNOBZJWSA-N 1 0 316.243 2.269 10 0 DEAERO Cc1sc2[nH]c(COC3CCC([NH3+])CC3)nc(=O)c2c1C ZINC000129155896 196024545 /nfs/dbraw/zinc/02/45/45/196024545.db2.gz ULCIORZTFRUJTO-UHFFFAOYSA-N 1 0 307.419 2.388 10 0 DEAERO NC1=[NH+]C[C@H]([C@H]2CCCO2)N1c1cccc(Br)c1 ZINC000129273401 196035312 /nfs/dbraw/zinc/03/53/12/196035312.db2.gz ZGHBAHTUNRUPMM-VXGBXAGGSA-N 1 0 310.195 2.131 10 0 DEAERO C[C@H](CC[NH3+])C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000129420794 196046830 /nfs/dbraw/zinc/04/68/30/196046830.db2.gz RPIAXHZSARHHEG-SNVBAGLBSA-N 1 0 309.797 2.390 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ncc(Br)cc1C ZINC000129600865 196060375 /nfs/dbraw/zinc/06/03/75/196060375.db2.gz FDIWEUZCUZSHNT-VIFPVBQESA-N 1 0 300.200 2.337 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)CC[NH2+]C(C)C ZINC000129598608 196060392 /nfs/dbraw/zinc/06/03/92/196060392.db2.gz VTOBFMJHYQPJBD-UHFFFAOYSA-N 1 0 300.200 2.479 10 0 DEAERO CCCn1cc(Br)cc1C(=O)NCC(C)(C)[NH3+] ZINC000129615089 196062221 /nfs/dbraw/zinc/06/22/21/196062221.db2.gz GNILCSRWNBWHKN-UHFFFAOYSA-N 1 0 302.216 2.128 10 0 DEAERO CCCNc1cc(C)[nH+]cc1C(=O)N[C@@H](C)CC[S@@](C)=O ZINC000129660788 196066011 /nfs/dbraw/zinc/06/60/11/196066011.db2.gz KSJNVKTVAKJDSL-MQJDWESPSA-N 1 0 311.451 2.099 10 0 DEAERO C[C@@H](C[NH3+])[C@@H](O)c1ncc(Br)cc1Br ZINC000130186884 196084319 /nfs/dbraw/zinc/08/43/19/196084319.db2.gz APJQHZAQOZQHIR-SSDLBLMSSA-N 1 0 324.016 2.235 10 0 DEAERO C[C@H](C[NH3+])[C@H](O)c1ncc(Br)cc1Br ZINC000130186664 196084615 /nfs/dbraw/zinc/08/46/15/196084615.db2.gz APJQHZAQOZQHIR-ANLVUFKYSA-N 1 0 324.016 2.235 10 0 DEAERO C[C@@H](CN1C(=O)C2(CC2)N[C@H]1c1cccs1)[NH+]1CCCC1 ZINC000130797065 196110932 /nfs/dbraw/zinc/11/09/32/196110932.db2.gz NLPYNHQJTCLXPL-GXTWGEPZSA-N 1 0 305.447 2.195 10 0 DEAERO Cc1nsc(S[C@H]2CCC[C@@]([NH2+]C(C)C)(C(N)=O)C2)n1 ZINC000131107634 196140281 /nfs/dbraw/zinc/14/02/81/196140281.db2.gz UHPCYPZOTKKZDW-GWCFXTLKSA-N 1 0 314.480 2.103 10 0 DEAERO CC[NH2+][C@H](C)c1c(CC)nn([C@H]2CCS(=O)(=O)C2)c1CC ZINC000131106111 196141027 /nfs/dbraw/zinc/14/10/27/196141027.db2.gz SSFOZFNQEVSOCG-NEPJUHHUSA-N 1 0 313.467 2.038 10 0 DEAERO C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)[C@H](C)S(C)(=O)=O ZINC000131473268 196172771 /nfs/dbraw/zinc/17/27/71/196172771.db2.gz GPTJHHKAOWSSEM-JOYOIKCWSA-N 1 0 309.353 2.269 10 0 DEAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)Nc1cccc2ccncc21 ZINC000131552921 196179277 /nfs/dbraw/zinc/17/92/77/196179277.db2.gz WFZIQPLTVUOPKO-ZDUSSCGKSA-N 1 0 305.403 2.119 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NCC[C@@H](C)SC)o1 ZINC000131611676 196184540 /nfs/dbraw/zinc/18/45/40/196184540.db2.gz AXOTXRGXGSSGEO-LLVKDONJSA-N 1 0 320.480 2.199 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000131629956 196185340 /nfs/dbraw/zinc/18/53/40/196185340.db2.gz OUKWTNIVQJHJKF-CJNGLKHVSA-N 1 0 319.453 2.027 10 0 DEAERO O=C(Nc1cc(Cl)ccc1Br)[C@H]1C[NH2+]CCO1 ZINC000131654809 196188271 /nfs/dbraw/zinc/18/82/71/196188271.db2.gz GWOJWYOZJNRGHW-SNVBAGLBSA-N 1 0 319.586 2.029 10 0 DEAERO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(Br)o1 ZINC000131663744 196189000 /nfs/dbraw/zinc/18/90/00/196189000.db2.gz PZTGBGIZJQEFLF-MRVPVSSYSA-N 1 0 310.213 2.127 10 0 DEAERO CC[NH2+][C@H](CC[C@@H]1CCCN(S(C)(=O)=O)C1)CC(C)C ZINC000131751418 196196003 /nfs/dbraw/zinc/19/60/03/196196003.db2.gz FHBILCFVXRCXSF-LSDHHAIUSA-N 1 0 304.500 2.462 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C)C2)s1 ZINC000131750884 196196095 /nfs/dbraw/zinc/19/60/95/196196095.db2.gz QQBKZEWLDRYZHJ-MNOVXSKESA-N 1 0 302.465 2.134 10 0 DEAERO C[C@H](O)CCN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000131819394 196201722 /nfs/dbraw/zinc/20/17/22/196201722.db2.gz GIVFGZBDESZAMT-HNNXBMFYSA-N 1 0 319.449 2.195 10 0 DEAERO CC1CC[NH+](CCCNC(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000131935637 196211756 /nfs/dbraw/zinc/21/17/56/196211756.db2.gz VYYRHBBBOFTCNB-AWEZNQCLSA-N 1 0 304.438 2.068 10 0 DEAERO C[C@@H](C(=O)N1CCC(c2cc[nH]n2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000131934891 196211936 /nfs/dbraw/zinc/21/19/36/196211936.db2.gz VAAZYIQFQIVCCD-MCIONIFRSA-N 1 0 304.438 2.377 10 0 DEAERO CCS(=O)(=O)CCOc1ccc([C@H](C)[NH2+]C)cc1Cl ZINC000132366219 196250222 /nfs/dbraw/zinc/25/02/22/196250222.db2.gz FVBVJELHUFJREK-JTQLQIEISA-N 1 0 305.827 2.434 10 0 DEAERO CCOc1cccc(C[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1 ZINC000132389368 196251577 /nfs/dbraw/zinc/25/15/77/196251577.db2.gz JOCIVJPAOHGKEO-SNVBAGLBSA-N 1 0 304.312 2.242 10 0 DEAERO OCC[NH2+][C@H]1CCCc2sc(I)cc21 ZINC000132257749 196239833 /nfs/dbraw/zinc/23/98/33/196239833.db2.gz SMNIZFDVZSWWKE-QMMMGPOBSA-N 1 0 323.199 2.312 10 0 DEAERO C[C@@H]1CCC[C@@]1(O)c1c(Br)cnn1CC[NH+](C)C ZINC000132489372 196260110 /nfs/dbraw/zinc/26/01/10/196260110.db2.gz ZRHFBGNGEQDWPZ-MFKMUULPSA-N 1 0 316.243 2.215 10 0 DEAERO CCSCC[C@H](C[NH3+])N1CCN(c2ccc(F)cc2)CC1 ZINC000132571152 196266289 /nfs/dbraw/zinc/26/62/89/196266289.db2.gz UBIXGHWVGQHZPQ-MRXNPFEDSA-N 1 0 311.470 2.418 10 0 DEAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCCn3ccnc3C)[C@H]2C1 ZINC000132724321 196278040 /nfs/dbraw/zinc/27/80/40/196278040.db2.gz GMFCJUCUVAVCGH-IXDOHACOSA-N 1 0 307.438 2.240 10 0 DEAERO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])sc1Br ZINC000132867327 196291638 /nfs/dbraw/zinc/29/16/38/196291638.db2.gz VHLLLWNIWRZSFC-QMMMGPOBSA-N 1 0 303.225 2.382 10 0 DEAERO CCCC[N@H+](CC(N)=O)Cc1ccc(O)c(Br)c1 ZINC000132871142 196291936 /nfs/dbraw/zinc/29/19/36/196291936.db2.gz DZWQRTSPPVTVRK-UHFFFAOYSA-N 1 0 315.211 2.242 10 0 DEAERO CC[NH2+]C1(c2nc(C)c(C)s2)CCN(C(=O)N(C)C)CC1 ZINC000132903837 196295191 /nfs/dbraw/zinc/29/51/91/196295191.db2.gz UBASLOUGPGYVAO-UHFFFAOYSA-N 1 0 310.467 2.342 10 0 DEAERO CCOCc1nc(N[C@@H](C)c2nc(C)cs2)cc(NN)[nH+]1 ZINC000132985008 196301941 /nfs/dbraw/zinc/30/19/41/196301941.db2.gz ZEXXSVNTQSYWHD-VIFPVBQESA-N 1 0 308.411 2.237 10 0 DEAERO CC[S@](=O)CCNc1c(C(N)=S)c[nH+]c2ccccc21 ZINC000133010966 196304176 /nfs/dbraw/zinc/30/41/76/196304176.db2.gz OVQKRLBYRDDHAP-HXUWFJFHSA-N 1 0 307.444 2.050 10 0 DEAERO O[C@H](Cc1ccc(Br)cc1F)C1CC[NH2+]CC1 ZINC000133025650 196306264 /nfs/dbraw/zinc/30/62/64/196306264.db2.gz HIJRTHLKAGRWTG-CYBMUJFWSA-N 1 0 302.187 2.491 10 0 DEAERO COc1ccc(Br)cc1C[C@H](O)[C@@H]1CCC[NH2+]C1 ZINC000133043895 196307655 /nfs/dbraw/zinc/30/76/55/196307655.db2.gz YBPUOVLEDDRORG-MFKMUULPSA-N 1 0 314.223 2.361 10 0 DEAERO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(C(C)(C)C)ccc2C)C1 ZINC000133059102 196308789 /nfs/dbraw/zinc/30/87/89/196308789.db2.gz LKOWCZIXFUJNBW-CQSZACIVSA-N 1 0 310.463 2.275 10 0 DEAERO CCC[N@H+](CC(=O)NC)Cc1ccc(O)c(C(F)(F)F)c1 ZINC000133296183 196328307 /nfs/dbraw/zinc/32/83/07/196328307.db2.gz RNDZJSGABQTWCE-UHFFFAOYSA-N 1 0 304.312 2.369 10 0 DEAERO CCC[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000133304962 196329418 /nfs/dbraw/zinc/32/94/18/196329418.db2.gz LBGLMBZFCBQZPY-LLVKDONJSA-N 1 0 318.389 2.118 10 0 DEAERO CC(C)(CCc1ccccc1)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000133760324 196334835 /nfs/dbraw/zinc/33/48/35/196334835.db2.gz ZJWHVKPNRSOKAB-OAHLLOKOSA-N 1 0 310.463 2.069 10 0 DEAERO [NH3+][C@@H](c1nn2c(nnc2[C@H]2CCOC2)s1)C1CCCCC1 ZINC000133811384 196337281 /nfs/dbraw/zinc/33/72/81/196337281.db2.gz KQBKROJBNHGTBK-WDEREUQCSA-N 1 0 307.423 2.270 10 0 DEAERO CC(C)n1ncc(NC[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1=O ZINC000133870094 196341635 /nfs/dbraw/zinc/34/16/35/196341635.db2.gz SIKGYTQPDPYKIB-LLVKDONJSA-N 1 0 310.829 2.374 10 0 DEAERO COc1ccc([C@H]([NH3+])c2c(Br)cnn2C)cc1F ZINC000133884696 196342585 /nfs/dbraw/zinc/34/25/85/196342585.db2.gz ZMCKMMNOEZCWFH-NSHDSACASA-N 1 0 314.158 2.378 10 0 DEAERO CCCc1cc(C(=O)N2CCS[C@H](C)[C@H]2C)cc(NN)[nH+]1 ZINC000133943733 196347529 /nfs/dbraw/zinc/34/75/29/196347529.db2.gz LFNKBEDTSBHOBG-GHMZBOCLSA-N 1 0 308.451 2.286 10 0 DEAERO CCC[C@@H](C(=O)Nc1n[nH]c(-c2ccc(C)cc2)n1)[NH+](C)C ZINC000134276239 196375942 /nfs/dbraw/zinc/37/59/42/196375942.db2.gz KREMYWBSMIHOAM-ZDUSSCGKSA-N 1 0 301.394 2.449 10 0 DEAERO CC(C)[NH+](CCCNC(=O)[C@H]1CCCc2n[nH]cc21)C(C)C ZINC000134450632 196392427 /nfs/dbraw/zinc/39/24/27/196392427.db2.gz QOVFFDPKVDTCNT-AWEZNQCLSA-N 1 0 306.454 2.455 10 0 DEAERO CCC[NH2+][C@@H]1CSC[C@@H]1c1nc(Cc2ccccn2)no1 ZINC000134795338 196420571 /nfs/dbraw/zinc/42/05/71/196420571.db2.gz JOZYWVBFVFDASQ-QWHCGFSZSA-N 1 0 304.419 2.254 10 0 DEAERO CN(C(=O)CC[N@@H+]1CC[C@](O)(C(F)(F)F)C1)c1ccccc1 ZINC000135130351 196446702 /nfs/dbraw/zinc/44/67/02/196446702.db2.gz HQDLRGZEGHMKTG-CQSZACIVSA-N 1 0 316.323 2.039 10 0 DEAERO CC[C@@H]([NH3+])CCNS(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000135193090 196452467 /nfs/dbraw/zinc/45/24/67/196452467.db2.gz QCAJYDBNNPHLJW-SNVBAGLBSA-N 1 0 324.368 2.420 10 0 DEAERO Cc1ccc2c(CC[NH2+]C3CCN(C(N)=O)CC3)cn(C)c2c1 ZINC000186547192 224957351 /nfs/dbraw/zinc/95/73/51/224957351.db2.gz PZCIKGIXNQFFAH-UHFFFAOYSA-N 1 0 314.433 2.162 10 0 DEAERO C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CCC(C)(C)O2)CC1 ZINC000188221389 225015148 /nfs/dbraw/zinc/01/51/48/225015148.db2.gz FKXQXTBSISXZAR-HNNXBMFYSA-N 1 0 311.470 2.317 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)c1ccc(O)cc1O)c1ccccc1 ZINC000192932946 225145003 /nfs/dbraw/zinc/14/50/03/225145003.db2.gz SNJAHTVUVCPNEC-HNNXBMFYSA-N 1 0 300.358 2.131 10 0 DEAERO Cc1nnc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc1C ZINC000359574190 424830854 /nfs/dbraw/zinc/83/08/54/424830854.db2.gz HHUULAZFYUSIDE-UKRRQHHQSA-N 1 0 317.462 3.045 10 0 DEAERO C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC([NH+](C)C)CC1 ZINC000193811857 424870971 /nfs/dbraw/zinc/87/09/71/424870971.db2.gz PPAYQNHVOGVHQW-HNNXBMFYSA-N 1 0 315.461 2.380 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000193810922 424871569 /nfs/dbraw/zinc/87/15/69/424871569.db2.gz SBCWGGNHRGBPFH-LSDHHAIUSA-N 1 0 303.450 2.278 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCCOc2ccc(OC)cc2)C1 ZINC000194630182 424877401 /nfs/dbraw/zinc/87/74/01/424877401.db2.gz PNIYFGDIBBHIJT-HNNXBMFYSA-N 1 0 320.433 2.455 10 0 DEAERO [NH3+]CCc1nc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cs1 ZINC000194804130 424878502 /nfs/dbraw/zinc/87/85/02/424878502.db2.gz QUXGJYVWJFSXCD-CHWSQXEVSA-N 1 0 301.415 2.178 10 0 DEAERO C(Nc1nnc(C2CCOCC2)s1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000555201844 424880255 /nfs/dbraw/zinc/88/02/55/424880255.db2.gz LKGKVNPNYDWASN-CQSZACIVSA-N 1 0 322.478 2.861 10 0 DEAERO Cc1ccc(Br)c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000389877597 424916189 /nfs/dbraw/zinc/91/61/89/424916189.db2.gz VWOKTFACVFXXOW-GXFFZTMASA-N 1 0 311.223 2.485 10 0 DEAERO Cc1ccc(Br)c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000389877601 424916792 /nfs/dbraw/zinc/91/67/92/424916792.db2.gz VWOKTFACVFXXOW-ZWNOBZJWSA-N 1 0 311.223 2.485 10 0 DEAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc(Br)c[nH]1 ZINC000401448572 424923265 /nfs/dbraw/zinc/92/32/65/424923265.db2.gz YPABHMPYLIDJDE-LLVKDONJSA-N 1 0 312.211 2.182 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2csc(Br)c2)CCOC1 ZINC000404178888 424925141 /nfs/dbraw/zinc/92/51/41/424925141.db2.gz AUUNBJLGDCVDFC-NSHDSACASA-N 1 0 306.225 2.142 10 0 DEAERO Cc1cc(Br)ccc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000404155791 424925361 /nfs/dbraw/zinc/92/53/61/424925361.db2.gz SXXTYXGXCQQUOQ-CQSZACIVSA-N 1 0 314.223 2.389 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2ccc(Br)cc2)CCOC1 ZINC000404184950 424926148 /nfs/dbraw/zinc/92/61/48/424926148.db2.gz BJALQLJUINNKHN-ZDUSSCGKSA-N 1 0 300.196 2.080 10 0 DEAERO [NH3+]CC1(CCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000404523624 424927691 /nfs/dbraw/zinc/92/76/91/424927691.db2.gz QBOHPGQEOMAOKJ-UHFFFAOYSA-N 1 0 315.186 2.447 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2nscc2Br)C1 ZINC000404758665 424928907 /nfs/dbraw/zinc/92/89/07/424928907.db2.gz AXGWBVNZHCCPGK-YUMQZZPRSA-N 1 0 318.240 2.105 10 0 DEAERO [NH3+][C@H]1C[C@H](c2cc(NCc3nnc(-c4ccccc4)[nH]3)ncn2)C1 ZINC000244633349 424886348 /nfs/dbraw/zinc/88/63/48/424886348.db2.gz GBJUPDFJIQZGHF-JOCQHMNTSA-N 1 0 321.388 2.079 10 0 DEAERO c1ccc(N2CC[NH+](CCNc3ccnc(C4CC4)n3)CC2)cc1 ZINC000599457342 425044648 /nfs/dbraw/zinc/04/46/48/425044648.db2.gz WFDJWUVVWJJQEX-UHFFFAOYSA-N 1 0 323.444 2.588 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2cccc(Br)c2F)CC1=O ZINC000657696300 425387107 /nfs/dbraw/zinc/38/71/07/425387107.db2.gz HAPPDCWQKPWLLA-VIFPVBQESA-N 1 0 315.186 2.156 10 0 DEAERO COc1c(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c(C)nn1C ZINC000657808662 425404971 /nfs/dbraw/zinc/40/49/71/425404971.db2.gz ZNDVSCMEWAKFDU-MRXNPFEDSA-N 1 0 314.433 2.101 10 0 DEAERO CO[C@](C)(C[NH2+]Cc1cnn(C)c1C)COCc1ccccc1 ZINC000657591655 425371156 /nfs/dbraw/zinc/37/11/56/425371156.db2.gz KFYMOEAZQUBHIT-GOSISDBHSA-N 1 0 317.433 2.440 10 0 DEAERO Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2nccn2C)c(C)n1 ZINC000658273161 425465510 /nfs/dbraw/zinc/46/55/10/425465510.db2.gz AAJHQLJTEIMLGV-DIOULYMOSA-N 1 0 315.421 2.255 10 0 DEAERO CN(C(=O)[C@@H]1CSc2ccccc21)[C@@H](C[NH3+])C(F)(F)F ZINC000662980399 425771474 /nfs/dbraw/zinc/77/14/74/425771474.db2.gz GXNNBLHPRQDXJU-KOLCDFICSA-N 1 0 304.337 2.224 10 0 DEAERO [NH3+][C@@H]1CN(c2ncncc2Br)C[C@H]1c1ccccc1 ZINC000328284599 268850677 /nfs/dbraw/zinc/85/06/77/268850677.db2.gz SSRJZPQPACEPHC-WCQYABFASA-N 1 0 319.206 2.170 10 0 DEAERO O=C(Nc1cc(C(F)(F)F)ccn1)N1CCC2(CC[NH2+]2)CC1 ZINC000333309979 268923949 /nfs/dbraw/zinc/92/39/49/268923949.db2.gz ROFKYBBPHUCSNN-UHFFFAOYSA-N 1 0 314.311 2.460 10 0 DEAERO C[C@H](NC(=O)N1CCC2(CC[NH2+]C2)CC1)c1c(F)cncc1F ZINC000333623424 268964805 /nfs/dbraw/zinc/96/48/05/268964805.db2.gz RXPLUNSEYARGHT-NSHDSACASA-N 1 0 324.375 2.206 10 0 DEAERO C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333857349 268997266 /nfs/dbraw/zinc/99/72/66/268997266.db2.gz RFVQMUXQXMCNSC-WFASDCNBSA-N 1 0 301.390 2.046 10 0 DEAERO CCN(CC[NH+]1CCCCCC1)C(=O)NCCc1cc(C)no1 ZINC000358026837 269040796 /nfs/dbraw/zinc/04/07/96/269040796.db2.gz BVZYOHANWMVIDY-UHFFFAOYSA-N 1 0 322.453 2.433 10 0 DEAERO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000393917879 269100644 /nfs/dbraw/zinc/10/06/44/269100644.db2.gz YZQMHLWQPVDWBN-SOUVJXGZSA-N 1 0 311.470 2.364 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397276964 269105613 /nfs/dbraw/zinc/10/56/13/269105613.db2.gz POQSTMFDXVPROP-DRZSPHRISA-N 1 0 314.426 2.128 10 0 DEAERO CC(C)[C@H](C)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397637032 269106797 /nfs/dbraw/zinc/10/67/97/269106797.db2.gz QNAGKNSBMOBPGR-INIZCTEOSA-N 1 0 318.461 2.422 10 0 DEAERO CC1(C)C[C@@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397638867 269106935 /nfs/dbraw/zinc/10/69/35/269106935.db2.gz RCPGZBBBQRQFOA-MRXNPFEDSA-N 1 0 316.445 2.176 10 0 DEAERO C[C@H]([NH2+]Cc1ncccn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496070840 269198115 /nfs/dbraw/zinc/19/81/15/269198115.db2.gz WDKGVFHDVSCYAA-STQMWFEESA-N 1 0 306.410 2.212 10 0 DEAERO C[C@@H]([NH2+]Cc1ncccn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496070835 269198177 /nfs/dbraw/zinc/19/81/77/269198177.db2.gz WDKGVFHDVSCYAA-CHWSQXEVSA-N 1 0 306.410 2.212 10 0 DEAERO COC(=O)CC1(CC(=O)NC[C@@H](C)[NH+]2CCCC2)CCCC1 ZINC000526071385 269502727 /nfs/dbraw/zinc/50/27/27/269502727.db2.gz BUBQLGVYLATSNO-CQSZACIVSA-N 1 0 310.438 2.101 10 0 DEAERO CSC[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000077572373 274176677 /nfs/dbraw/zinc/17/66/77/274176677.db2.gz ZPUSYXICWFKHGQ-UKRRQHHQSA-N 1 0 309.479 2.210 10 0 DEAERO C[C@@H]1CCCC[C@H]1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000183054592 274287400 /nfs/dbraw/zinc/28/74/00/274287400.db2.gz UIQXKNZYPZUDAV-CABCVRRESA-N 1 0 314.437 2.073 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c2ccccc21 ZINC000153150218 274312568 /nfs/dbraw/zinc/31/25/68/274312568.db2.gz JJBAXKYOMMQCOV-QBIMZIAESA-N 1 0 319.449 2.237 10 0 DEAERO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091343685 275985397 /nfs/dbraw/zinc/98/53/97/275985397.db2.gz HRWHJKIBOYMLDM-GXTWGEPZSA-N 1 0 314.451 2.190 10 0 DEAERO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000248473249 276037855 /nfs/dbraw/zinc/03/78/55/276037855.db2.gz KNZQNVBKPRXKPK-LMMKCTJWSA-N 1 0 321.509 2.297 10 0 DEAERO CC(C)c1nnc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)n1C ZINC000127903776 276075201 /nfs/dbraw/zinc/07/52/01/276075201.db2.gz MVZRNBLRZALEMH-KBPBESRZSA-N 1 0 302.426 2.409 10 0 DEAERO CC[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C[C@H]1CCCO1 ZINC000172172011 276080729 /nfs/dbraw/zinc/08/07/29/276080729.db2.gz DTUQRJWQTHBFDB-QWHCGFSZSA-N 1 0 322.371 2.288 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000359138344 276141491 /nfs/dbraw/zinc/14/14/91/276141491.db2.gz KVUBOHAVADPFCQ-DOTOQJQBSA-N 1 0 304.434 2.270 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N1CCc2sccc2C1 ZINC000175362125 276182469 /nfs/dbraw/zinc/18/24/69/276182469.db2.gz ZTDQMHMRGQYSHK-HNNXBMFYSA-N 1 0 321.490 2.049 10 0 DEAERO CC[N@H+](Cc1ccccc1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000132091577 276354686 /nfs/dbraw/zinc/35/46/86/276354686.db2.gz KRLBWWKJFIDCET-MRXNPFEDSA-N 1 0 312.417 2.438 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000245459077 276370631 /nfs/dbraw/zinc/37/06/31/276370631.db2.gz DHGHHFCWSXZXQO-NVXWUHKLSA-N 1 0 315.461 2.380 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000373019545 276374573 /nfs/dbraw/zinc/37/45/73/276374573.db2.gz HWBGUXPUVMDBTF-NXOAAHMSSA-N 1 0 323.481 2.196 10 0 DEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3ccc(OC)cc31)CC2 ZINC000180608590 276694996 /nfs/dbraw/zinc/69/49/96/276694996.db2.gz RKWABSFRQIWGNJ-XJKSGUPXSA-N 1 0 312.417 2.441 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCCS1)c1ccccc1 ZINC000162889832 276801644 /nfs/dbraw/zinc/80/16/44/276801644.db2.gz PAVHZTSGGICWRQ-GJZGRUSLSA-N 1 0 307.463 2.484 10 0 DEAERO CC(=O)N1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)c2ccccc21 ZINC000372031452 277004698 /nfs/dbraw/zinc/00/46/98/277004698.db2.gz MIMNFPCOLKCUDW-QGZVFWFLSA-N 1 0 323.396 2.373 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3COc4ccccc43)CC[C@H]21 ZINC000246835473 277066520 /nfs/dbraw/zinc/06/65/20/277066520.db2.gz KHJUYMLYQPQAEL-FVQBIDKESA-N 1 0 315.417 2.246 10 0 DEAERO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000360299690 277389420 /nfs/dbraw/zinc/38/94/20/277389420.db2.gz RTJJALPONGVYBV-GOEBONIOSA-N 1 0 316.401 2.067 10 0 DEAERO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)C1(OC)CCOCC1)C2 ZINC000453167415 277442991 /nfs/dbraw/zinc/44/29/91/277442991.db2.gz RKLWTKCHUHFVIK-HIFRSBDPSA-N 1 0 321.417 2.172 10 0 DEAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000191691592 277943592 /nfs/dbraw/zinc/94/35/92/277943592.db2.gz XBQAUXDYFFCJHB-KCPJHIHWSA-N 1 0 308.809 2.460 10 0 DEAERO CC(=O)NC1(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CCCCC1 ZINC000186308844 278084273 /nfs/dbraw/zinc/08/42/73/278084273.db2.gz QWNMSZGOABWQRT-HNNXBMFYSA-N 1 0 323.481 2.206 10 0 DEAERO CC(C)c1nn(C)c(Cl)c1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248576616 278090557 /nfs/dbraw/zinc/09/05/57/278090557.db2.gz DRIAQXLIMBFETE-DCAQKATOSA-N 1 0 310.829 2.006 10 0 DEAERO CC(C)c1nnc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1C ZINC000253623465 278098558 /nfs/dbraw/zinc/09/85/58/278098558.db2.gz VNLYSICDSSFNHP-RRFJBIMHSA-N 1 0 306.454 2.454 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCCc1ccccn1 ZINC000179171134 278186283 /nfs/dbraw/zinc/18/62/83/278186283.db2.gz VDWNXQRQJUXRBY-OAHLLOKOSA-N 1 0 304.438 2.188 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000111716019 278228145 /nfs/dbraw/zinc/22/81/45/278228145.db2.gz GAWFKAJBTOEEJC-WDEREUQCSA-N 1 0 318.389 2.247 10 0 DEAERO CC1(C)CN(C(=O)c2cc3c([nH]c2=O)CCCCC3)CC[C@@H]1[NH3+] ZINC000262046408 278320892 /nfs/dbraw/zinc/32/08/92/278320892.db2.gz QPHMSFZJRHPCEQ-HNNXBMFYSA-N 1 0 317.433 2.256 10 0 DEAERO CC1(C)C[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C(C)(C)O1 ZINC000246044977 278380912 /nfs/dbraw/zinc/38/09/12/278380912.db2.gz XLJGHAPCXBKERR-KBPBESRZSA-N 1 0 309.454 2.212 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C[C@H]1OCCc2ccccc21 ZINC000155426461 288080512 /nfs/dbraw/zinc/08/05/12/288080512.db2.gz KUDQTJQPCXHRBD-CKEIUWERSA-N 1 0 302.418 2.242 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000246898556 279321018 /nfs/dbraw/zinc/32/10/18/279321018.db2.gz RKRRLUXILOPPRT-JJXSEGSLSA-N 1 0 321.465 2.118 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000177703738 279328535 /nfs/dbraw/zinc/32/85/35/279328535.db2.gz TZVDNPOFRZGYBC-XGHPGWEVSA-N 1 0 309.498 2.486 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000332993196 279515797 /nfs/dbraw/zinc/51/57/97/279515797.db2.gz DDGKPDUSLJKLJF-ZFCIPKFXSA-N 1 0 308.466 2.473 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2c1OCO2 ZINC000174995804 281193225 /nfs/dbraw/zinc/19/32/25/281193225.db2.gz UROCAYSMAGXILF-QWHCGFSZSA-N 1 0 302.374 2.114 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc2c(c1)OCCCO2 ZINC000247116213 288312827 /nfs/dbraw/zinc/31/28/27/288312827.db2.gz IWEPYBRWNZDQID-HIFRSBDPSA-N 1 0 316.401 2.157 10 0 DEAERO CCO[C@@H]1C[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078876525 281585496 /nfs/dbraw/zinc/58/54/96/281585496.db2.gz MLOFBZLGTIOFBX-IAGOWNOFSA-N 1 0 302.418 2.324 10 0 DEAERO Cc1nccn1CCCN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000122038687 281767157 /nfs/dbraw/zinc/76/71/57/281767157.db2.gz WGUZHYYFTFVEBA-MRXNPFEDSA-N 1 0 323.485 2.199 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000132321719 281986629 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CVTBRJZVSRWBME-BBRMVZONSA-N 1 0 307.390 2.238 10 0 DEAERO Cc1cc(C)c(NC(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c(C)c1 ZINC000247745417 524286972 /nfs/dbraw/zinc/28/69/72/524286972.db2.gz XVNWYZOISFICTR-HUUCEWRRSA-N 1 0 317.433 2.136 10 0 DEAERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000450677598 534788465 /nfs/dbraw/zinc/78/84/65/534788465.db2.gz RONPLPQGVDDKLP-ZANVPECISA-N 1 0 300.196 2.440 10 0 DEAERO Cc1cnc(CCN(C)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)s1 ZINC000121314535 525991623 /nfs/dbraw/zinc/99/16/23/525991623.db2.gz LMDLSMRFZMOSGR-LLVKDONJSA-N 1 0 310.467 2.118 10 0 DEAERO CC(=O)c1cccc(O[C@@H](C)C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261731571 534896434 /nfs/dbraw/zinc/89/64/34/534896434.db2.gz CWTPZCLOOGYUQM-BBRMVZONSA-N 1 0 318.417 2.242 10 0 DEAERO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247968049 526034113 /nfs/dbraw/zinc/03/41/13/526034113.db2.gz IJGPTBQBQJJMQV-RVKKMQEKSA-N 1 0 308.466 2.451 10 0 DEAERO C/C=C\C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)C(=O)OCC ZINC000444309634 526333303 /nfs/dbraw/zinc/33/33/03/526333303.db2.gz AQZXKOYQBULULT-PNOBCODNSA-N 1 0 310.438 2.262 10 0 DEAERO CC(=O)N[C@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000192617984 526901775 /nfs/dbraw/zinc/90/17/75/526901775.db2.gz QVNSQLFLNSHHTM-KRWDZBQOSA-N 1 0 302.418 2.155 10 0 DEAERO CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000330818208 527152357 /nfs/dbraw/zinc/15/23/57/527152357.db2.gz CVJBXGQISMUPCI-RHSMWYFYSA-N 1 0 307.365 2.060 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000246199910 527369816 /nfs/dbraw/zinc/36/98/16/527369816.db2.gz DZPOVROOEQAYIO-CKLFPEKLSA-N 1 0 317.216 2.270 10 0 DEAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000237890859 527415512 /nfs/dbraw/zinc/41/55/12/527415512.db2.gz ZPILOVKXQLFAOL-JQWIXIFHSA-N 1 0 323.234 2.461 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N1CCC(n2ccnc2)CC1 ZINC000103305893 527650125 /nfs/dbraw/zinc/65/01/25/527650125.db2.gz MHQAMMASSQFHCJ-UHFFFAOYSA-N 1 0 319.453 2.106 10 0 DEAERO CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000294384145 527810866 /nfs/dbraw/zinc/81/08/66/527810866.db2.gz RNQDRNOERYQYAX-QZTJIDSGSA-N 1 0 318.461 2.435 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)c1cnn(C)c1Cl)c1ccco1 ZINC000294787421 528279286 /nfs/dbraw/zinc/27/92/86/528279286.db2.gz SHBOIAHUZIYSAI-GFCCVEGCSA-N 1 0 324.812 2.479 10 0 DEAERO CCCn1cc(C[N@@H+]2CCC[C@H]2CN(C(C)=O)C2CC2)cn1 ZINC000328628495 528843732 /nfs/dbraw/zinc/84/37/32/528843732.db2.gz HIIFVMVIFMSZFF-KRWDZBQOSA-N 1 0 304.438 2.268 10 0 DEAERO CC1(C)CCCN(CC[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000444007368 528936310 /nfs/dbraw/zinc/93/63/10/528936310.db2.gz FVVZLVZQSFKBDA-UHFFFAOYSA-N 1 0 313.449 2.479 10 0 DEAERO CC[C@H]1C[C@H](C[NH2+]C[C@@H]2C[C@H](F)CN2c2cccnn2)CCO1 ZINC000330010796 529326854 /nfs/dbraw/zinc/32/68/54/529326854.db2.gz HHZWZEMEKXFAHZ-UGUYLWEFSA-N 1 0 322.428 2.188 10 0 DEAERO CC(C)N(C(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)C(C)C ZINC000375464085 534936778 /nfs/dbraw/zinc/93/67/78/534936778.db2.gz HOCHEHQWCFGHBG-AWEZNQCLSA-N 1 0 320.437 2.382 10 0 DEAERO CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261782640 535101947 /nfs/dbraw/zinc/10/19/47/535101947.db2.gz NAOLMMYQPRJHKQ-QGZVFWFLSA-N 1 0 317.477 2.483 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H](C)c2cccc(O)c2)CC1 ZINC000358671875 535244864 /nfs/dbraw/zinc/24/48/64/535244864.db2.gz VBAYRIPWJMTRER-CQSZACIVSA-N 1 0 303.406 2.404 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)CNc2ccccc2)CC1 ZINC000358661093 535245114 /nfs/dbraw/zinc/24/51/14/535245114.db2.gz HKSUZWOUHQHFQV-INIZCTEOSA-N 1 0 316.449 2.438 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)NC2CC[NH2+]CC2)cc1 ZINC000262202664 535256407 /nfs/dbraw/zinc/25/64/07/535256407.db2.gz VIAITEFJDURAJZ-UHFFFAOYSA-N 1 0 318.417 2.307 10 0 DEAERO CCC[C@@H](C(=O)N1CCC(Oc2ccc(F)nc2)CC1)[NH+](C)C ZINC000191134282 535310069 /nfs/dbraw/zinc/31/00/69/535310069.db2.gz KPTKAHQDMSGZQA-HNNXBMFYSA-N 1 0 323.412 2.321 10 0 DEAERO CC1(C)CC[C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)O1 ZINC000188196466 535326835 /nfs/dbraw/zinc/32/68/35/535326835.db2.gz FDHXXBLNZMVBJF-MRXNPFEDSA-N 1 0 323.481 2.461 10 0 DEAERO CC1(C)CN(CC(=O)N[C@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000261820701 535352462 /nfs/dbraw/zinc/35/24/62/535352462.db2.gz PKTWBUCMIMWALP-IRXDYDNUSA-N 1 0 315.461 2.239 10 0 DEAERO CCOCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309931492 535417896 /nfs/dbraw/zinc/41/78/96/535417896.db2.gz WKYFEGDLKNWOQH-BRWVUGGUSA-N 1 0 302.418 2.050 10 0 DEAERO CC[NH+]1CCC(N(C)C(=O)C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000357293588 535455502 /nfs/dbraw/zinc/45/55/02/535455502.db2.gz VFRCBWXAHLYDQP-UHFFFAOYSA-N 1 0 314.429 2.301 10 0 DEAERO CCO[C@H](C)c1ncc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])s1 ZINC000261907330 535568723 /nfs/dbraw/zinc/56/87/23/535568723.db2.gz XCTPJISBAGLMOP-TUAOUCFPSA-N 1 0 311.451 2.440 10 0 DEAERO CCOc1ncccc1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000079196472 535596277 /nfs/dbraw/zinc/59/62/77/535596277.db2.gz FWSKWHNECAUFIT-HNNXBMFYSA-N 1 0 322.453 2.256 10 0 DEAERO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](CO)C2CC2)cc1 ZINC000358329680 535602571 /nfs/dbraw/zinc/60/25/71/535602571.db2.gz ZMOJDJDIBFUUIJ-QGZVFWFLSA-N 1 0 304.434 2.277 10 0 DEAERO CCS(=O)(=O)CCCCCN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000190633171 535618240 /nfs/dbraw/zinc/61/82/40/535618240.db2.gz LEVGCPGNXIHVDX-HUUCEWRRSA-N 1 0 304.500 2.006 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000193870762 535647735 /nfs/dbraw/zinc/64/77/35/535647735.db2.gz GLMVKHZDMMKWDF-QWHCGFSZSA-N 1 0 323.403 2.107 10 0 DEAERO CCOc1cc(/C=C\C(=O)N[C@H]2CCC[N@H+](CC)C2)ccc1O ZINC000493445509 535660607 /nfs/dbraw/zinc/66/06/07/535660607.db2.gz BFDOBEIPTUMTPA-WWRUEGTHSA-N 1 0 318.417 2.405 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@H](C)CO)CC(C)C ZINC000247299459 535672499 /nfs/dbraw/zinc/67/24/99/535672499.db2.gz VAYZOUCYZJOQJC-ILXRZTDVSA-N 1 0 301.475 2.059 10 0 DEAERO CCc1noc(C)c1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000454879200 535881443 /nfs/dbraw/zinc/88/14/43/535881443.db2.gz QWJCSRBSHPRZJC-UHFFFAOYSA-N 1 0 322.453 2.467 10 0 DEAERO CC[C@H](C)[C@@H]1CN(CCC[C@H](C)O)CC[N@@H+]1CCC[C@H](C)O ZINC000450611361 535914376 /nfs/dbraw/zinc/91/43/76/535914376.db2.gz IINDKMDXXQOTJV-XSLAGTTESA-N 1 0 314.514 2.341 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccccc1 ZINC000190493031 535952289 /nfs/dbraw/zinc/95/22/89/535952289.db2.gz FIYZYVNOGWBOLP-WCXIOVBPSA-N 1 0 317.433 2.156 10 0 DEAERO CCc1ccccc1NC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247015241 535959157 /nfs/dbraw/zinc/95/91/57/535959157.db2.gz CJQYGLCHHPZPTL-ZBFHGGJFSA-N 1 0 301.434 2.356 10 0 DEAERO CN(C(=O)CC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O)c1ccccc1 ZINC000179219621 535971864 /nfs/dbraw/zinc/97/18/64/535971864.db2.gz KXYBDUWMUZJHLC-MVVMVCHASA-N 1 0 302.418 2.132 10 0 DEAERO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000246907773 535997938 /nfs/dbraw/zinc/99/79/38/535997938.db2.gz FCXHLYQLBTZUCX-GVDBMIGSSA-N 1 0 302.418 2.436 10 0 DEAERO CC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1nccs1 ZINC000247343185 536165597 /nfs/dbraw/zinc/16/55/97/536165597.db2.gz KMFRCMWSWJPURS-UPJWGTAASA-N 1 0 308.451 2.472 10 0 DEAERO COC(=O)[C@@H](C)[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000261862558 536443289 /nfs/dbraw/zinc/44/32/89/536443289.db2.gz XABOPAJHBSYKST-XZDPQHSOSA-N 1 0 318.417 2.028 10 0 DEAERO COCCCOc1cccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000262093915 536623891 /nfs/dbraw/zinc/62/38/91/536623891.db2.gz UQXMMLACJYUHID-MRXNPFEDSA-N 1 0 320.433 2.301 10 0 DEAERO COCCC1(CNC(=O)NCC[N@H+]2CC=C(C)CC2)CCC1 ZINC000358188656 536859587 /nfs/dbraw/zinc/85/95/87/536859587.db2.gz LECGWLUSTVKJJX-UHFFFAOYSA-N 1 0 309.454 2.144 10 0 DEAERO COc1ccc2c(CC(=O)N3C[C@@H](C[NH3+])C[C@H]3C)coc2c1 ZINC000261866792 536964795 /nfs/dbraw/zinc/96/47/95/536964795.db2.gz RURRZEDYYOWABL-VXGBXAGGSA-N 1 0 302.374 2.180 10 0 DEAERO COc1ccc2c(c1)C=C(C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)CO2 ZINC000261859741 536966374 /nfs/dbraw/zinc/96/63/74/536966374.db2.gz NBEPKQBJPNTOPV-MRXNPFEDSA-N 1 0 316.401 2.057 10 0 DEAERO COc1ccc2c(c1)C[C@H]([NH2+]CCN1CC=C(C)CC1)CO2 ZINC000453193831 536990991 /nfs/dbraw/zinc/99/09/91/536990991.db2.gz IHFVYLYSDYJKIM-INIZCTEOSA-N 1 0 302.418 2.240 10 0 DEAERO COc1ccc(CC[NH2+]C[C@@H](O)c2ccc(O)cc2)cc1OC ZINC000001843117 560184975 /nfs/dbraw/zinc/18/49/75/560184975.db2.gz VHSBBVZJABQOSG-MRXNPFEDSA-N 1 0 317.385 2.275 10 0 in-vitro DEAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000724101900 563496201 /nfs/dbraw/zinc/49/62/01/563496201.db2.gz RVRZWRHKXSIWJF-YVEFUNNKSA-N 1 0 320.437 2.466 10 0 DEAERO C[C@@](O)(CO)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000309570915 625358055 /nfs/dbraw/zinc/35/80/55/625358055.db2.gz LMOPGLPLQQUBSM-SFHVURJKSA-N 1 0 301.386 2.099 10 0 DEAERO Nc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C2CC2)n1 ZINC000309785004 625570026 /nfs/dbraw/zinc/57/00/26/625570026.db2.gz GDXGTUQBVQYLED-CQSZACIVSA-N 1 0 310.405 2.018 10 0 DEAERO CCN(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)c1ccccc1 ZINC000066242290 624084130 /nfs/dbraw/zinc/08/41/30/624084130.db2.gz SIELQTRDKIYNAL-IRXDYDNUSA-N 1 0 318.465 2.153 10 0 DEAERO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)/C=C\c1ccccc1 ZINC000255318411 624161390 /nfs/dbraw/zinc/16/13/90/624161390.db2.gz FQSPPJWNSAZXAJ-UILAEWCASA-N 1 0 308.447 2.261 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC(=O)OC1CCCCC1 ZINC000161523249 625110026 /nfs/dbraw/zinc/11/00/26/625110026.db2.gz CGDZLUKLBFBNNH-LSDHHAIUSA-N 1 0 310.438 2.276 10 0 DEAERO CCN1C(=O)CN(C[N@@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)C1=O ZINC000182797912 625276958 /nfs/dbraw/zinc/27/69/58/625276958.db2.gz CRKUUHOPWGSQLN-HNNXBMFYSA-N 1 0 315.417 2.334 10 0 DEAERO CC[N@H+](Cc1ccc(C(=O)NCC[S@@](=O)CC)cc1)C(C)C ZINC000733960646 633304458 /nfs/dbraw/zinc/30/44/58/633304458.db2.gz KDDGZVHDGPDRFP-QFIPXVFZSA-N 1 0 324.490 2.415 10 0 DEAERO CC1(C)COC[C@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000313017408 633432948 /nfs/dbraw/zinc/43/29/48/633432948.db2.gz IFVVEYGEQDLVKF-CHWSQXEVSA-N 1 0 314.223 2.497 10 0 DEAERO CC(C)(C)OC(=O)NC1CC(C[N@@H+]2CCC[C@@]23CCOC3=O)C1 ZINC000893711261 635971746 /nfs/dbraw/zinc/97/17/46/635971746.db2.gz MFGBQZMLSAINDL-FVKWTLKZSA-N 1 0 324.421 2.071 10 0 DEAERO Cc1cnnc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1 ZINC000893853977 636051139 /nfs/dbraw/zinc/05/11/39/636051139.db2.gz IBLWLQQJRLNKDL-XJKSGUPXSA-N 1 0 300.410 2.014 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NOCc2ccc(F)cc2)C1 ZINC000248584196 636209119 /nfs/dbraw/zinc/20/91/19/636209119.db2.gz PKFFJXFTSJFZDD-IUODEOHRSA-N 1 0 309.385 2.285 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000237069513 636549826 /nfs/dbraw/zinc/54/98/26/636549826.db2.gz ZDLBMJIQJSDKSP-GZMMTYOYSA-N 1 0 320.220 2.257 10 0 DEAERO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C[C@@H]2COCCN2)c1 ZINC000261822031 636558650 /nfs/dbraw/zinc/55/86/50/636558650.db2.gz ASAQAJBUKBMMNN-HZSPNIEDSA-N 1 0 308.422 2.121 10 0 DEAERO COc1cnccc1[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000187010609 636665726 /nfs/dbraw/zinc/66/57/26/636665726.db2.gz KNEQWJTZNBDEGX-NHYWBVRUSA-N 1 0 317.345 2.383 10 0 DEAERO C=CCNC(=[NH2+])NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000087000942 637186671 /nfs/dbraw/zinc/18/66/71/637186671.db2.gz RTESEXZDTJXGLM-CQSZACIVSA-N 1 0 303.406 2.001 10 0 DEAERO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000320176328 637864298 /nfs/dbraw/zinc/86/42/98/637864298.db2.gz YFPRZJFFORKQSR-ZXXKLBARSA-N 1 0 302.827 2.356 10 0 DEAERO COC(=O)/C(C)=C\C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000746500637 638350727 /nfs/dbraw/zinc/35/07/27/638350727.db2.gz YTCTVWBYKNPUMY-ZSOIEALJSA-N 1 0 316.401 2.456 10 0 DEAERO O=C1OCCN1CCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728686699 639284984 /nfs/dbraw/zinc/28/49/84/639284984.db2.gz WMXUMIMRZAIUFJ-KRWDZBQOSA-N 1 0 323.481 2.417 10 0 DEAERO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000805826797 643448073 /nfs/dbraw/zinc/44/80/73/643448073.db2.gz JZKJPUQSNNQIHK-AWEZNQCLSA-N 1 0 310.369 2.415 10 0 DEAERO CC[N@H+](C)[C@H](C(=O)N1CCO[C@H](C(F)F)C1)c1ccccc1 ZINC000801005516 645328703 /nfs/dbraw/zinc/32/87/03/645328703.db2.gz GHUUTRDHWZKLRA-KBPBESRZSA-N 1 0 312.360 2.172 10 0 DEAERO CC[N@H+](C)[C@@H](C(=O)N1CCO[C@H](C(F)F)C1)c1ccccc1 ZINC000801005520 645329188 /nfs/dbraw/zinc/32/91/88/645329188.db2.gz GHUUTRDHWZKLRA-UONOGXRCSA-N 1 0 312.360 2.172 10 0 DEAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806148927 645802994 /nfs/dbraw/zinc/80/29/94/645802994.db2.gz ZPAYBDGIERNDBD-PWSUYJOCSA-N 1 0 308.813 2.116 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCSC(C)(C)C)C[C@@H]1C ZINC000156442543 646422391 /nfs/dbraw/zinc/42/23/91/646422391.db2.gz AQUCEMPZANUOKA-UONOGXRCSA-N 1 0 316.511 2.212 10 0 DEAERO O=C(CCc1cccs1)N(C(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000223164865 646487646 /nfs/dbraw/zinc/48/76/46/646487646.db2.gz YHSDMQCIZLYDNP-LBPRGKRZSA-N 1 0 306.431 2.198 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1csnn1 ZINC000224875788 646523808 /nfs/dbraw/zinc/52/38/08/646523808.db2.gz LWQYQOLTHLMKOM-ZYHUDNBSSA-N 1 0 312.439 2.321 10 0 DEAERO O=S(=O)(/C=C/c1ccc(Cl)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000226460314 646575741 /nfs/dbraw/zinc/57/57/41/646575741.db2.gz YORWBGXDELQJAQ-BMGYJQCNSA-N 1 0 314.838 2.372 10 0 DEAERO Cc1noc(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000229090072 646666722 /nfs/dbraw/zinc/66/67/22/646666722.db2.gz DPIMSPOWRCKNRT-NEPJUHHUSA-N 1 0 310.398 2.161 10 0 DEAERO CSC[C@@](C)(O)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000230149098 646720098 /nfs/dbraw/zinc/72/00/98/646720098.db2.gz UGRZCBGKLCKHRZ-DOMZBBRYSA-N 1 0 318.483 2.090 10 0 DEAERO [NH3+]C1(CNS(=O)(=O)/C=C\c2ccc(Cl)cc2)CCC1 ZINC000311315040 646850869 /nfs/dbraw/zinc/85/08/69/646850869.db2.gz GRDKSOSBATZAAD-TWGQIWQCSA-N 1 0 300.811 2.112 10 0 DEAERO COC1CC[NH+](C2(CNC(=O)C3=COCCC3)CCCC2)CC1 ZINC000730760191 647394471 /nfs/dbraw/zinc/39/44/71/647394471.db2.gz XPDGTVCHCYRWCM-UHFFFAOYSA-N 1 0 322.449 2.221 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000032185164 647424414 /nfs/dbraw/zinc/42/44/14/647424414.db2.gz GUELIRFPPCGYCY-QWHCGFSZSA-N 1 0 300.196 2.251 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCS2(=O)=O)C1(CC)CC ZINC000245939664 647512971 /nfs/dbraw/zinc/51/29/71/647512971.db2.gz UQEIAJKONDAWDD-MGPQQGTHSA-N 1 0 303.468 2.137 10 0 DEAERO NC(=O)N1CCCN(Cc2cc(Cl)nc3ccccc23)CC1 ZINC000154649486 648058429 /nfs/dbraw/zinc/05/84/29/648058429.db2.gz NYKNQROMICYYLI-UHFFFAOYSA-N 1 0 318.808 2.475 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccc(-n2ccnc2)cc1)[NH+](C)C ZINC000179649265 648404326 /nfs/dbraw/zinc/40/43/26/648404326.db2.gz OOYQOILUNWSLFV-INIZCTEOSA-N 1 0 300.406 2.219 10 0 DEAERO CCCCC[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)C(C)(C)C ZINC000179917898 648437314 /nfs/dbraw/zinc/43/73/14/648437314.db2.gz XUANCKPYQLOCKQ-HZPDHXFCSA-N 1 0 300.487 2.264 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC(OCCc3ccccc3)CC2)C1 ZINC000237933673 648448645 /nfs/dbraw/zinc/44/86/45/648448645.db2.gz ALIWJMDSAVMHNJ-IAGOWNOFSA-N 1 0 316.445 2.364 10 0 DEAERO [NH3+]CC[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000070074032 648840893 /nfs/dbraw/zinc/84/08/93/648840893.db2.gz MRNNKGZYSLIYGX-NSHDSACASA-N 1 0 318.389 2.248 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](O)c1cc2ccccc2s1 ZINC000262099865 649014282 /nfs/dbraw/zinc/01/42/82/649014282.db2.gz CQZKQVFCJLYWHX-ITDIGPHOSA-N 1 0 306.431 2.424 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000381850529 685402211 /nfs/dbraw/zinc/40/22/11/685402211.db2.gz ZGZSZDVCLKFBMU-JHFDRCJLSA-N 1 0 314.838 2.371 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncc(C=O)cn1 ZINC000382655018 685405681 /nfs/dbraw/zinc/40/56/81/685405681.db2.gz HYEGYVCADSLKIH-OAHLLOKOSA-N 1 0 310.401 2.390 10 0 DEAERO CC[C@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)C(N)=O ZINC000386187646 685416433 /nfs/dbraw/zinc/41/64/33/685416433.db2.gz HQUJKHXRELDGLP-QWRGUYRKSA-N 1 0 313.195 2.126 10 0 DEAERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCc1cnccn1 ZINC000390233612 685438902 /nfs/dbraw/zinc/43/89/02/685438902.db2.gz SORVHCIKECBYPL-DZGCQCFKSA-N 1 0 320.437 2.254 10 0 DEAERO CCCn1nccc1C[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000390779785 685442712 /nfs/dbraw/zinc/44/27/12/685442712.db2.gz RFGWINHXYYTVOM-SREVYHEPSA-N 1 0 308.426 2.464 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCCN2C)CCCN1C(=O)OC(C)(C)C ZINC000396711191 685462834 /nfs/dbraw/zinc/46/28/34/685462834.db2.gz ZXYSIUGYTANTDY-ILXRZTDVSA-N 1 0 311.470 2.458 10 0 DEAERO COc1ccc(C[C@@H](C)C[N@H+](C)CN2CCOC2=S)cc1 ZINC000090171381 684030474 /nfs/dbraw/zinc/03/04/74/684030474.db2.gz IUXUTQPQXNAEFH-CYBMUJFWSA-N 1 0 308.447 2.380 10 0 DEAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000093988344 684052342 /nfs/dbraw/zinc/05/23/42/684052342.db2.gz DICQZVRCZNEMOO-HOTGVXAUSA-N 1 0 315.417 2.248 10 0 DEAERO CCCCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121133122 684105496 /nfs/dbraw/zinc/10/54/96/684105496.db2.gz SBSPHRSZBLHPOV-OLZOCXBDSA-N 1 0 324.387 2.318 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(C(F)(F)F)n2)C1 ZINC000123502382 684125813 /nfs/dbraw/zinc/12/58/13/684125813.db2.gz NUFKSCBKUPUDHV-SECBINFHSA-N 1 0 302.300 2.268 10 0 DEAERO COC(=O)[C@H](C)C[N@H+](CCC1OCCO1)Cc1ccccc1 ZINC000124086340 684131560 /nfs/dbraw/zinc/13/15/60/684131560.db2.gz HAQMOFHNGXWKDR-CQSZACIVSA-N 1 0 307.390 2.061 10 0 DEAERO CC(C)[C@H](C(=O)OCCN1CCCCC1=O)[NH+]1CCCCC1 ZINC000124610417 684136717 /nfs/dbraw/zinc/13/67/17/684136717.db2.gz LYYXRXDJIDXMFX-MRXNPFEDSA-N 1 0 310.438 2.053 10 0 DEAERO Cc1nn(C)c(Cl)c1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130498308 684189693 /nfs/dbraw/zinc/18/96/93/684189693.db2.gz HJSCEUGBJBWHLV-UHFFFAOYSA-N 1 0 312.845 2.232 10 0 DEAERO CCOC(=O)C(C)(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000136295531 684238841 /nfs/dbraw/zinc/23/88/41/684238841.db2.gz URWINRMQMBUIRX-OAHLLOKOSA-N 1 0 319.401 2.393 10 0 DEAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccc(F)nc1 ZINC000189172469 684374899 /nfs/dbraw/zinc/37/48/99/684374899.db2.gz LSUHFWVYEYTXMO-GFCCVEGCSA-N 1 0 312.348 2.109 10 0 DEAERO CC[C@](C)(COC(=O)C1CC1)C[N@@H+]1CC[C@H](OC(=O)C2CC2)C1 ZINC000193461199 685041198 /nfs/dbraw/zinc/04/11/98/685041198.db2.gz XBARSEMLVCJVLM-YJBOKZPZSA-N 1 0 323.433 2.383 10 0 DEAERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000194899899 685080547 /nfs/dbraw/zinc/08/05/47/685080547.db2.gz GSRBZFCYBJJSBV-INIZCTEOSA-N 1 0 324.465 2.417 10 0 DEAERO Cc1ccc2c(C[N@H+]3C[C@@H](C(N)=O)CC[C@H]3C)cc(=O)oc2c1 ZINC000245808306 685118364 /nfs/dbraw/zinc/11/83/64/685118364.db2.gz DSKOIXQKRVNSDA-OLZOCXBDSA-N 1 0 314.385 2.187 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000246969068 685140173 /nfs/dbraw/zinc/14/01/73/685140173.db2.gz LRFWCIPSAVOJCI-IAGOWNOFSA-N 1 0 300.406 2.265 10 0 DEAERO CCN1CCC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000249940946 685188604 /nfs/dbraw/zinc/18/86/04/685188604.db2.gz VTUWEAFUZVTNFB-GJZGRUSLSA-N 1 0 311.470 2.460 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)/C(C)=C/c1ccc(F)cc1 ZINC000176494781 782474023 /nfs/dbraw/zinc/47/40/23/782474023.db2.gz PARUWCLXTIYWCT-ABDJAZHISA-N 1 0 320.408 2.456 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399148030 790326823 /nfs/dbraw/zinc/32/68/23/790326823.db2.gz XVFGZTOLYFUOIS-RWMBFGLXSA-N 1 0 316.442 2.371 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)c2c(C)sc(C)c2C)CC[C@@H]1[NH3+] ZINC000722601883 776578968 /nfs/dbraw/zinc/57/89/68/776578968.db2.gz QUMALCVKJTYONL-OLZOCXBDSA-N 1 0 316.492 2.421 10 0 DEAERO CN1C[C@@H](CC[NH2+]C2CC(OCc3ccccc3)C2)CC1=O ZINC000723588813 777129351 /nfs/dbraw/zinc/12/93/51/777129351.db2.gz BEWVBUWYIYKYGE-GTPINHCMSA-N 1 0 302.418 2.192 10 0 DEAERO [NH3+]CC[C@H]1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000723707934 777165806 /nfs/dbraw/zinc/16/58/06/777165806.db2.gz XXMNIYKJEDXYHI-SZNGSJQDSA-N 1 0 314.838 2.311 10 0 DEAERO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1CCOCC1 ZINC000724037935 777226559 /nfs/dbraw/zinc/22/65/59/777226559.db2.gz WIOXUHBMARORGH-PSASIEDQSA-N 1 0 305.287 2.340 10 0 DEAERO [NH3+]CCCN(C[C@@H]1CC[C@@H](C(F)(F)F)O1)CC(F)(F)F ZINC000721482148 777231561 /nfs/dbraw/zinc/23/15/61/777231561.db2.gz YMBAIMSUBJELSF-IUCAKERBSA-N 1 0 308.266 2.309 10 0 DEAERO C[N@H+](C[C@@H]1CCC[C@H]1O)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724063127 777233787 /nfs/dbraw/zinc/23/37/87/777233787.db2.gz XAOQZFRHLKUVFG-AEJSXWLSSA-N 1 0 305.287 2.028 10 0 DEAERO C[C@@](O)(C[NH2+]CC1SCCS1)C(F)(F)C(F)(F)F ZINC000724096280 777239877 /nfs/dbraw/zinc/23/98/77/777239877.db2.gz IVASSQXUEGFJRH-SSDOTTSWSA-N 1 0 311.341 2.331 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H]2CC23CC(O)C3)C1 ZINC000724954537 777534802 /nfs/dbraw/zinc/53/48/02/777534802.db2.gz ZUGMQCNDSKISOZ-ZBUZPQQSSA-N 1 0 310.438 2.137 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@H](CCO)C1CCCC1 ZINC000725106777 777586733 /nfs/dbraw/zinc/58/67/33/777586733.db2.gz ZNPWPLLVDKBTKB-GFCCVEGCSA-N 1 0 316.243 2.213 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000725112110 777587930 /nfs/dbraw/zinc/58/79/30/777587930.db2.gz FSXNDDSMUXGNCB-ZDUSSCGKSA-N 1 0 302.465 2.033 10 0 DEAERO CC(C)(C)CS(=O)(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000721874793 780497309 /nfs/dbraw/zinc/49/73/09/780497309.db2.gz MBCXCSQMFPWSDR-ZDUSSCGKSA-N 1 0 302.484 2.264 10 0 DEAERO CO[C@]1(C[NH2+][C@@H]2CCCCCC2(C)C)CCS(=O)(=O)C1 ZINC000721240596 781735811 /nfs/dbraw/zinc/73/58/11/781735811.db2.gz AUXVXROEGWMPNN-HIFRSBDPSA-N 1 0 303.468 2.139 10 0 DEAERO CCOC1CC2(C[C@@H]2[NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC000721242465 781741419 /nfs/dbraw/zinc/74/14/19/781741419.db2.gz FKPUXQIITRLQIJ-NALMEZQBSA-N 1 0 305.418 2.111 10 0 DEAERO C[C@@H]1CSC[C@H]1[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000705907979 783642570 /nfs/dbraw/zinc/64/25/70/783642570.db2.gz NBXFNVSXKZIVMG-CHWSQXEVSA-N 1 0 318.483 2.211 10 0 DEAERO [NH3+]C[C@H]1C[C@H](c2nc(-c3cccc(Br)c3)no2)CO1 ZINC000714084863 784293914 /nfs/dbraw/zinc/29/39/14/784293914.db2.gz KDNXLRGQKTZLMQ-GXSJLCMTSA-N 1 0 324.178 2.330 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000721891850 787324296 /nfs/dbraw/zinc/32/42/96/787324296.db2.gz VARJUFYMMQYFME-GWJCSSMESA-N 1 0 314.838 2.228 10 0 DEAERO C[C@@H]1CC[C@H]1[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000721930118 787324828 /nfs/dbraw/zinc/32/48/28/787324828.db2.gz KMYRHUPGTHIHFQ-UKRRQHHQSA-N 1 0 311.470 2.364 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1C ZINC000722567041 787334098 /nfs/dbraw/zinc/33/40/98/787334098.db2.gz KSUHIUKXYKRNCU-DTWKUNHWSA-N 1 0 302.465 2.044 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c1C ZINC000722593207 787335433 /nfs/dbraw/zinc/33/54/33/787335433.db2.gz DHOVLEUWVGVKQF-LBPRGKRZSA-N 1 0 316.492 2.340 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c1C ZINC000723909341 787345850 /nfs/dbraw/zinc/34/58/50/787345850.db2.gz MNGFZGOMWBZDKE-NOZJJQNGSA-N 1 0 316.492 2.279 10 0 DEAERO C[C@@H]1CCC[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)O1 ZINC000724096789 787349458 /nfs/dbraw/zinc/34/94/58/787349458.db2.gz OQIZLPBGRKYZFH-UTLUCORTSA-N 1 0 305.287 2.482 10 0 DEAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000724936915 787354768 /nfs/dbraw/zinc/35/47/68/787354768.db2.gz ONZVTFDFFPUULH-QRQLOZEOSA-N 1 0 318.461 2.292 10 0 DEAERO COc1cc(Br)ccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000712376060 792183729 /nfs/dbraw/zinc/18/37/29/792183729.db2.gz DHCCYNROWFBLGW-VIFPVBQESA-N 1 0 313.195 2.396 10 0 DEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cn(C)nc2Br)[C@@H](C)O1 ZINC000712499155 792189997 /nfs/dbraw/zinc/18/99/97/792189997.db2.gz WHJFOYFZWHMAAX-BBBLOLIVSA-N 1 0 302.216 2.086 10 0 DEAERO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000712506918 792190534 /nfs/dbraw/zinc/19/05/34/792190534.db2.gz OEBNQISPHZOCJR-UHFFFAOYSA-N 1 0 302.827 2.103 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000712605146 792192472 /nfs/dbraw/zinc/19/24/72/792192472.db2.gz KLXGPZLOYTVQRO-SOUVJXGZSA-N 1 0 311.470 2.316 10 0 DEAERO CN1CC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000712573095 792201780 /nfs/dbraw/zinc/20/17/80/792201780.db2.gz QSZDFXAJRZSUNB-AJNGGQMLSA-N 1 0 309.454 2.068 10 0 DEAERO Cn1cc(COc2ccc3c(c2)C[NH2+]C3)c(Br)n1 ZINC000713090658 792214406 /nfs/dbraw/zinc/21/44/06/792214406.db2.gz GJSQYTMGAGRRTB-UHFFFAOYSA-N 1 0 308.179 2.365 10 0 DEAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ncc(Br)s1 ZINC000714945405 792361400 /nfs/dbraw/zinc/36/14/00/792361400.db2.gz ISXZHSQZYQAGHB-SFYZADRCSA-N 1 0 318.240 2.052 10 0 DEAERO CN(C)c1ccc(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc1Cl ZINC000715169933 792403103 /nfs/dbraw/zinc/40/31/03/792403103.db2.gz IHKHKUYOQMVBNQ-KWQFWETISA-N 1 0 303.740 2.185 10 0 DEAERO O=C(NCc1ccc(Br)cc1)C12CC[NH+](CC1)C2 ZINC000715845497 792526495 /nfs/dbraw/zinc/52/64/95/792526495.db2.gz ZTLDCYRXQUMXRM-UHFFFAOYSA-N 1 0 309.207 2.161 10 0 DEAERO O=C(NCCc1ccc(Br)cc1)C12CC[NH+](CC1)C2 ZINC000715861692 792529545 /nfs/dbraw/zinc/52/95/45/792529545.db2.gz YDXZHPLXSNFYCQ-UHFFFAOYSA-N 1 0 323.234 2.204 10 0 DEAERO CCCn1cc([C@H](C)NCC[N@H+](C)Cc2ccccc2)nn1 ZINC000715881227 792530829 /nfs/dbraw/zinc/53/08/29/792530829.db2.gz IVRBIJGUUACPGF-HNNXBMFYSA-N 1 0 301.438 2.471 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)c(Cl)c1 ZINC000716564647 792974496 /nfs/dbraw/zinc/97/44/96/792974496.db2.gz HSBGJORXLCEGMY-NSHDSACASA-N 1 0 316.854 2.315 10 0 DEAERO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000717365729 799392348 /nfs/dbraw/zinc/39/23/48/799392348.db2.gz KVQNUSFUBOFENA-RDTXWAMCSA-N 1 0 301.386 2.097 10 0 DEAERO C[C@@H]([NH2+]CC1(CO)CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000717644399 799427503 /nfs/dbraw/zinc/42/75/03/799427503.db2.gz ZZEQXMBFSDAOLT-KGLIPLIRSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@H](CC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)[S@](C)=O ZINC000300062977 799434789 /nfs/dbraw/zinc/43/47/89/799434789.db2.gz PQZCXPKMDXKXIL-ZNLKAECVSA-N 1 0 318.483 2.133 10 0 DEAERO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)NC(=O)NCc1ccco1 ZINC000302754732 801692613 /nfs/dbraw/zinc/69/26/13/801692613.db2.gz ORMSVPGIOQXYEF-DZGCQCFKSA-N 1 0 319.405 2.260 10 0 DEAERO C[C@H](O)CCC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401709541 801844666 /nfs/dbraw/zinc/84/46/66/801844666.db2.gz CZUPGICBDVSXCK-MELADBBJSA-N 1 0 300.443 2.383 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401759242 801848233 /nfs/dbraw/zinc/84/82/33/801848233.db2.gz AYUGFNFJQKPEKJ-AVGNSLFASA-N 1 0 316.442 2.229 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCC2(CO)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401804343 801852097 /nfs/dbraw/zinc/85/20/97/801852097.db2.gz PIHWKJAKLOVDCZ-KBPBESRZSA-N 1 0 312.454 2.384 10 0 DEAERO Cc1nnc([C@H](C)[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)[nH]1 ZINC000404801593 802032806 /nfs/dbraw/zinc/03/28/06/802032806.db2.gz KHIPJTKWDFNXQT-WCQGTBRESA-N 1 0 323.441 2.456 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CC2(CCO)CC2)C1(C)C ZINC000404906444 802035658 /nfs/dbraw/zinc/03/56/58/802035658.db2.gz RYRRTMKMUCKWPJ-STQMWFEESA-N 1 0 312.454 2.430 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405229880 802044769 /nfs/dbraw/zinc/04/47/69/802044769.db2.gz FWIJGNXOHGLUES-XJFOESAGSA-N 1 0 312.454 2.429 10 0 DEAERO O=C([O-])C1(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000691598918 976372929 /nfs/dbraw/zinc/37/29/29/976372929.db2.gz YZDUCQWUYGWRPI-DLBZAZTESA-N 1 0 314.429 2.305 10 0 DEAERO COc1cccc(C[NH2+]CCCOC[C@@H]2CCCO2)c1OC ZINC000061743496 1079054796 /nfs/dbraw/zinc/05/47/96/1079054796.db2.gz ASAHQZXAHWODPE-HNNXBMFYSA-N 1 0 309.406 2.379 10 0 DEAERO OC1(CCNc2cnccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000717908394 1081744146 /nfs/dbraw/zinc/74/41/46/1081744146.db2.gz USXBXRMALCTNOZ-UHFFFAOYSA-N 1 0 312.417 2.306 10 0 DEAERO CC(C)NC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717984046 1081856091 /nfs/dbraw/zinc/85/60/91/1081856091.db2.gz KDTFYFJMERWIJR-UHFFFAOYSA-N 1 0 319.449 2.111 10 0 DEAERO CC(C)C[C@@H]1[C@H]2C(=O)N(C)C(=O)[C@@H]2C[N@@H+]1Cc1ccccc1 ZINC000409429219 1082278972 /nfs/dbraw/zinc/27/89/72/1082278972.db2.gz ISIJNJHPCLHJAA-OAGGEKHMSA-N 1 0 300.402 2.148 10 0 DEAERO Cn1cc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c(Br)n1 ZINC000720657954 1085818965 /nfs/dbraw/zinc/81/89/65/1085818965.db2.gz XSACEWUTWVWGFV-RYUDHWBXSA-N 1 0 314.227 2.230 10 0 DEAERO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2Br)CCO1 ZINC000720661159 1085821222 /nfs/dbraw/zinc/82/12/22/1085821222.db2.gz QZIZVPUMQPWEQO-NEPJUHHUSA-N 1 0 316.243 2.476 10 0 DEAERO Cn1cc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)c(Br)n1 ZINC000720674901 1085846986 /nfs/dbraw/zinc/84/69/86/1085846986.db2.gz SFUGHXHFBHWWNY-QWHCGFSZSA-N 1 0 321.222 2.417 10 0 DEAERO Cn1cc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c(Br)n1 ZINC000720674899 1085847470 /nfs/dbraw/zinc/84/74/70/1085847470.db2.gz SFUGHXHFBHWWNY-CHWSQXEVSA-N 1 0 321.222 2.417 10 0 DEAERO COC(=O)c1sc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)nc1Cl ZINC000720813049 1086153826 /nfs/dbraw/zinc/15/38/26/1086153826.db2.gz XIEAJHKFCPODAJ-RKDXNWHRSA-N 1 0 315.826 2.256 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccnc1Br ZINC000720829357 1086184721 /nfs/dbraw/zinc/18/47/21/1086184721.db2.gz MBWJUDTWGVJCSL-NWDGAFQWSA-N 1 0 324.222 2.153 10 0 DEAERO Cc1ccc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)c(Cl)c1 ZINC000720837478 1086204427 /nfs/dbraw/zinc/20/44/27/1086204427.db2.gz VFHMQXWVWDBFKH-LBPRGKRZSA-N 1 0 302.827 2.006 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1cnn(C)c1 ZINC000700737923 1086332854 /nfs/dbraw/zinc/33/28/54/1086332854.db2.gz VQAFPUZZTZZSGQ-MBNYWOFBSA-N 1 0 308.426 2.469 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)C12CCC2 ZINC000720936390 1086552896 /nfs/dbraw/zinc/55/28/96/1086552896.db2.gz LPVWXVYOQAWOFC-XUXIUFHCSA-N 1 0 310.438 2.183 10 0 DEAERO CC(C)C1(C[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000705086570 1086601157 /nfs/dbraw/zinc/60/11/57/1086601157.db2.gz QLJOJPXZGKJVQR-QGZVFWFLSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)[C@@H](C)O1 ZINC000705880533 1086625258 /nfs/dbraw/zinc/62/52/58/1086625258.db2.gz FQMWQHMYYHBPQF-MGPQQGTHSA-N 1 0 316.442 2.025 10 0 DEAERO CN(CCOCC[NH2+][C@H]1CCOC1(C)C)C(=O)OC(C)(C)C ZINC000705914326 1086628914 /nfs/dbraw/zinc/62/89/14/1086628914.db2.gz ZMQJXXBEMIVECC-ZDUSSCGKSA-N 1 0 316.442 2.027 10 0 DEAERO C[NH+]1C[C@]2(C)CN(c3ncc(Br)cn3)C[C@@]2(C)C1 ZINC000706220920 1086633667 /nfs/dbraw/zinc/63/36/67/1086633667.db2.gz XBNDDOXZOMIVBU-CHWSQXEVSA-N 1 0 311.227 2.017 10 0 DEAERO C[C@@]1(C(F)(F)F)CCN(C(=O)c2csc(CC[NH3+])n2)C1 ZINC000709478983 1086682820 /nfs/dbraw/zinc/68/28/20/1086682820.db2.gz PIIKYLJKISFKSY-LLVKDONJSA-N 1 0 307.341 2.059 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000710947383 1086691530 /nfs/dbraw/zinc/69/15/30/1086691530.db2.gz NYFFRAPUQGLUTG-CHWSQXEVSA-N 1 0 316.442 2.277 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000710968981 1086692425 /nfs/dbraw/zinc/69/24/25/1086692425.db2.gz VVUJEXYMAJMMGL-XIRDDKMYSA-N 1 0 304.434 2.391 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000710961090 1086692483 /nfs/dbraw/zinc/69/24/83/1086692483.db2.gz PADZWSBQCKMJCG-NSHDSACASA-N 1 0 302.415 2.031 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000710967526 1086692732 /nfs/dbraw/zinc/69/27/32/1086692732.db2.gz OBGCLPORPAWOIH-QGZVFWFLSA-N 1 0 304.434 2.392 10 0 DEAERO Cn1cc(C[NH2+]C[C@@H]2CCC(C)(C)CO2)c(Br)n1 ZINC000711228183 1087025501 /nfs/dbraw/zinc/02/55/01/1087025501.db2.gz VLMMQYOMAJZXCW-NSHDSACASA-N 1 0 316.243 2.477 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccccc1Br ZINC000711273999 1087041369 /nfs/dbraw/zinc/04/13/69/1087041369.db2.gz LTAQIIOLGRIGLW-NSHDSACASA-N 1 0 311.223 2.311 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCCn2cccn2)C1 ZINC000711411583 1087095727 /nfs/dbraw/zinc/09/57/27/1087095727.db2.gz WHLSSIVNMMOLJA-OKILXGFUSA-N 1 0 308.426 2.166 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CCC2(CCC2)O1)COCc1ccccc1 ZINC000711511710 1087146714 /nfs/dbraw/zinc/14/67/14/1087146714.db2.gz AEWGWXLOHOPFOX-IAGOWNOFSA-N 1 0 305.418 2.255 10 0 DEAERO O=S(=O)(N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccc(F)c(Cl)c1 ZINC000711642942 1087185319 /nfs/dbraw/zinc/18/53/19/1087185319.db2.gz YGNCEFCXKWXQSO-STQMWFEESA-N 1 0 318.801 2.042 10 0 DEAERO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cccc(Br)c1 ZINC000711655432 1087186886 /nfs/dbraw/zinc/18/68/86/1087186886.db2.gz SLOQEPVUIIZPEI-GXTWGEPZSA-N 1 0 309.207 2.464 10 0 DEAERO Cc1coc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000718134426 1088269992 /nfs/dbraw/zinc/26/99/92/1088269992.db2.gz YGAGXGBZIJCRRT-CQSZACIVSA-N 1 0 310.394 2.314 10 0 DEAERO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000719025885 1088765628 /nfs/dbraw/zinc/76/56/28/1088765628.db2.gz UYXIYWBAVWEDNR-OAHLLOKOSA-N 1 0 318.417 2.443 10 0 DEAERO Cc1nc(CN2CC[C@@H]([C@H](C)[NH3+])C2)sc1Br ZINC000719253443 1088915302 /nfs/dbraw/zinc/91/53/02/1088915302.db2.gz OZVZZQDQTKKHNL-IONNQARKSA-N 1 0 304.257 2.383 10 0 DEAERO C[NH2+]C[C@H]1CCN(Cc2nc(C)c(Br)s2)C1 ZINC000719252235 1088914372 /nfs/dbraw/zinc/91/43/72/1088914372.db2.gz KOVWARZXBVSKII-SECBINFHSA-N 1 0 304.257 2.255 10 0 DEAERO C[C@H]1[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1C ZINC000719603768 1089326288 /nfs/dbraw/zinc/32/62/88/1089326288.db2.gz SRBJZKBJMQHTAK-JOYOIKCWSA-N 1 0 304.362 2.187 10 0 DEAERO CC(C)(C)[NH2+]CCC(=O)NCCOC(F)(F)C(F)(F)F ZINC000720309838 1089546191 /nfs/dbraw/zinc/54/61/91/1089546191.db2.gz PMQZSCUVQVGOFK-UHFFFAOYSA-N 1 0 306.275 2.053 10 0 DEAERO O=C(CC1C[NH2+]C1)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000081765798 192321334 /nfs/dbraw/zinc/32/13/34/192321334.db2.gz GVOZYRNABSUWIS-UHFFFAOYSA-N 1 0 307.781 2.015 10 0 DEAERO C[NH2+][C@H]1c2ccccc2OC[C@@H]1Sc1nnc(N(C)C)s1 ZINC000081769399 192323167 /nfs/dbraw/zinc/32/31/67/192323167.db2.gz VQKDAHAGDUIFMJ-RYUDHWBXSA-N 1 0 322.459 2.418 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000423681017 230534641 /nfs/dbraw/zinc/53/46/41/230534641.db2.gz SHSFACWWAWRIJF-UFBFGSQYSA-N 1 0 303.189 2.320 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2OC[C@@H]1Sc1nc(C)cc(=O)[nH]1 ZINC000081868632 192332589 /nfs/dbraw/zinc/33/25/89/192332589.db2.gz CBUBRGHCHFNFON-GXTWGEPZSA-N 1 0 303.387 2.304 10 0 DEAERO [NH3+][C@@H](CSc1ncccn1)c1ccc2c(c1)OCCCO2 ZINC000081871163 192332873 /nfs/dbraw/zinc/33/28/73/192332873.db2.gz FKFMELHATKZXNA-LBPRGKRZSA-N 1 0 303.387 2.430 10 0 DEAERO Cc1ccc([C@@H]([NH3+])[C@@H](C)Sc2n[nH]c(=O)n2C2CC2)cc1 ZINC000081880285 192334048 /nfs/dbraw/zinc/33/40/48/192334048.db2.gz RHFWWMMMHJKTPW-MFKMUULPSA-N 1 0 304.419 2.395 10 0 DEAERO C[NH2+][C@@H](c1ccccc1)[C@@H](Sc1n[nH]c(=O)n1C)C(C)C ZINC000081880534 192334572 /nfs/dbraw/zinc/33/45/72/192334572.db2.gz SLFWPDLUCTUOLB-STQMWFEESA-N 1 0 306.435 2.186 10 0 DEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000081921129 192338809 /nfs/dbraw/zinc/33/88/09/192338809.db2.gz NEVQKDNHJWMQBW-HOTGVXAUSA-N 1 0 305.374 2.485 10 0 DEAERO CCC[NH2+]Cc1cc(Cl)ccc1N1CCn2cnnc2C1 ZINC000162745182 197588194 /nfs/dbraw/zinc/58/81/94/197588194.db2.gz VDHXMFVBXNUBKI-UHFFFAOYSA-N 1 0 305.813 2.451 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1n1cc(Br)c2cc[nH]c(=O)c21 ZINC000162637967 197581023 /nfs/dbraw/zinc/58/10/23/197581023.db2.gz GYPCGIKBQVCANU-KCJUWKMLSA-N 1 0 310.195 2.405 10 0 DEAERO CC[NH2+][C@@H](C)CCc1c(Br)cnn1CCOC ZINC000163095101 197611667 /nfs/dbraw/zinc/61/16/67/197611667.db2.gz OTTMTCMYPIPQBJ-JTQLQIEISA-N 1 0 304.232 2.223 10 0 DEAERO COc1cccc(S(=O)(=O)[C@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000081923356 192340295 /nfs/dbraw/zinc/34/02/95/192340295.db2.gz NNVNOCJFRLVCOT-JKSUJKDBSA-N 1 0 303.383 2.094 10 0 DEAERO CC[C@@](C)(OC)[C@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000163344156 197625035 /nfs/dbraw/zinc/62/50/35/197625035.db2.gz CEXGQXANJXAVOU-ZYHUDNBSSA-N 1 0 304.232 2.176 10 0 DEAERO C[C@H](OCCC[NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000163360305 197625334 /nfs/dbraw/zinc/62/53/34/197625334.db2.gz PGMXXGLZVQWSIN-AWEZNQCLSA-N 1 0 305.422 2.287 10 0 DEAERO C[NH2+][C@@H](C)[C@H](C)S(=O)(=O)c1ccccc1Br ZINC000081931604 192341190 /nfs/dbraw/zinc/34/11/90/192341190.db2.gz NOBJQKMATTWVFM-IUCAKERBSA-N 1 0 306.225 2.219 10 0 DEAERO C[NH2+][C@@H]1CCC[C@@H]1S(=O)(=O)c1ccc(Br)cc1 ZINC000081933388 192341198 /nfs/dbraw/zinc/34/11/98/192341198.db2.gz CERPDEJWLOIVLO-NEPJUHHUSA-N 1 0 318.236 2.363 10 0 DEAERO COCC[NH2+]CCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000081930554 192341502 /nfs/dbraw/zinc/34/15/02/192341502.db2.gz GZMWOLCEUSDZJY-UHFFFAOYSA-N 1 0 313.463 2.384 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1S(=O)(=O)c1ccccc1Br ZINC000081932221 192341726 /nfs/dbraw/zinc/34/17/26/192341726.db2.gz ZRJMOIDTZCOAHG-ONGXEEELSA-N 1 0 304.209 2.103 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000164508659 197654930 /nfs/dbraw/zinc/65/49/30/197654930.db2.gz YHUBSJSIDQAYEB-IUCAKERBSA-N 1 0 300.200 2.236 10 0 DEAERO COCCN(CCOC)c1ccc(C[C@H](C)[NH3+])cc1Cl ZINC000164530871 197655547 /nfs/dbraw/zinc/65/55/47/197655547.db2.gz USARZYDKXKWBBL-LBPRGKRZSA-N 1 0 300.830 2.329 10 0 DEAERO C[C@H](CC(=O)c1c(Br)cnn1C)[C@H]1CCC[NH2+]C1 ZINC000164533638 197655958 /nfs/dbraw/zinc/65/59/58/197655958.db2.gz ARQGMPDHFHDFCJ-ZJUUUORDSA-N 1 0 314.227 2.391 10 0 DEAERO C[NH+](C)C[C@H]1COCCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000085469913 282141075 /nfs/dbraw/zinc/14/10/75/282141075.db2.gz GJEXDIINBQYGSN-ZDUSSCGKSA-N 1 0 316.323 2.108 10 0 DEAERO CC[C@@H](C)S(=O)(=O)[C@@H]1CCc2cc(OC)ccc2[C@@H]1[NH2+]C ZINC000081936452 192342978 /nfs/dbraw/zinc/34/29/78/192342978.db2.gz YFPIYLUVTNVIMT-LYRGGWFBSA-N 1 0 311.447 2.484 10 0 DEAERO CC[NH2+][C@H](C)[C@H](C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936151 192343378 /nfs/dbraw/zinc/34/33/78/192343378.db2.gz YYHVNYYOKMGJPU-NEPJUHHUSA-N 1 0 313.419 2.008 10 0 DEAERO CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1S(=O)(=O)CCOC ZINC000081944069 192344545 /nfs/dbraw/zinc/34/45/45/192344545.db2.gz SBBSRDIVTLGXEX-MCIONIFRSA-N 1 0 305.484 2.241 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)CCOC)c1cccc2ccccc21 ZINC000081943613 192344717 /nfs/dbraw/zinc/34/47/17/192344717.db2.gz BMTPBRNJQAWPRV-MRXNPFEDSA-N 1 0 307.415 2.162 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000079348552 185165871 /nfs/dbraw/zinc/16/58/71/185165871.db2.gz OVEDHQBKJJZWFZ-CABCVRRESA-N 1 0 302.484 2.361 10 0 DEAERO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCC(c2nccs2)CC1 ZINC000612970417 361965808 /nfs/dbraw/zinc/96/58/08/361965808.db2.gz JNMDKJIXXZENQL-CYBMUJFWSA-N 1 0 320.462 2.174 10 0 DEAERO Cc1ccc(F)c(CCNC(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000612984306 361971709 /nfs/dbraw/zinc/97/17/09/361971709.db2.gz BFOFKBUOSVLRIT-OAHLLOKOSA-N 1 0 305.397 2.118 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](c1ccco1)N(C)C ZINC000079192869 185161412 /nfs/dbraw/zinc/16/14/12/185161412.db2.gz JDYJITTWPUNIRP-LSDHHAIUSA-N 1 0 324.469 2.158 10 0 DEAERO CCC[NH2+][C@@](C)(CCSc1ccc(Cl)cn1)C(N)=O ZINC000079448131 185172336 /nfs/dbraw/zinc/17/23/36/185172336.db2.gz USDKDXGKIDABMY-ZDUSSCGKSA-N 1 0 301.843 2.461 10 0 DEAERO CC(C)[NH2+][C@@](C)(CCSc1ccc(Cl)cn1)C(N)=O ZINC000079448138 185172362 /nfs/dbraw/zinc/17/23/62/185172362.db2.gz YOVUGRPAWPLNAV-ZDUSSCGKSA-N 1 0 301.843 2.459 10 0 DEAERO CC(C)(C)[C@@H]1CCCN(S(=O)(=O)C2CC[NH2+]CC2)CC1 ZINC000079358445 185166874 /nfs/dbraw/zinc/16/68/74/185166874.db2.gz DYZLZYLIADIUBE-CYBMUJFWSA-N 1 0 302.484 2.216 10 0 DEAERO COc1cc2c(cc1OC)CN(C(=O)C[C@@H]1CCC[N@@H+]1C)CC2 ZINC000082316713 185175828 /nfs/dbraw/zinc/17/58/28/185175828.db2.gz ZRXXAVJNNOGJAT-HNNXBMFYSA-N 1 0 318.417 2.073 10 0 DEAERO CCc1nc(C2(NC(=O)C[N@@H+](CC)C3CC3)CCCC2)no1 ZINC000153320029 282167590 /nfs/dbraw/zinc/16/75/90/282167590.db2.gz PNJYTJCOPAOBMT-UHFFFAOYSA-N 1 0 306.410 2.002 10 0 DEAERO [NH3+]C[C@@](O)(CSc1ccc(Br)cn1)C1CC1 ZINC000082917616 185209510 /nfs/dbraw/zinc/20/95/10/185209510.db2.gz JHKUDSQAXIUFSS-LLVKDONJSA-N 1 0 303.225 2.036 10 0 DEAERO O[C@@H](c1ccc(I)cc1)[C@@H]1CCC[NH2+]1 ZINC000082954581 185209538 /nfs/dbraw/zinc/20/95/38/185209538.db2.gz UKXORRIGOGAIFN-QWRGUYRKSA-N 1 0 303.143 2.077 10 0 DEAERO [NH3+]C[C@](O)(CSc1ccc(Br)cn1)C1CC1 ZINC000082917615 185209631 /nfs/dbraw/zinc/20/96/31/185209631.db2.gz JHKUDSQAXIUFSS-NSHDSACASA-N 1 0 303.225 2.036 10 0 DEAERO C[C@@H](c1nc(C2CC2)no1)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000328609704 231244516 /nfs/dbraw/zinc/24/45/16/231244516.db2.gz MZZVLZVERDCYEJ-STQMWFEESA-N 1 0 320.437 2.193 10 0 DEAERO COc1cccc(Cl)c1CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000153499982 282172146 /nfs/dbraw/zinc/17/21/46/282172146.db2.gz WNSQUKKOEGNXNF-LBPRGKRZSA-N 1 0 310.825 2.349 10 0 DEAERO C[C@@H]1C[NH2+]CCN1c1ccccc1I ZINC000083086709 185213160 /nfs/dbraw/zinc/21/31/60/185213160.db2.gz BDMGYNJTTNNQHR-SECBINFHSA-N 1 0 302.159 2.089 10 0 DEAERO CC[C@H]1CN(c2ccc(I)cc2)CC[NH2+]1 ZINC000083061267 185212316 /nfs/dbraw/zinc/21/23/16/185212316.db2.gz WEQBBUJWIQSXFV-NSHDSACASA-N 1 0 316.186 2.479 10 0 DEAERO CCc1nnc(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)o1 ZINC000328656740 231293186 /nfs/dbraw/zinc/29/31/86/231293186.db2.gz ZQKDATXJWFAJLA-YOEHRIQHSA-N 1 0 315.421 2.152 10 0 DEAERO [NH3+]C[C@H](c1ccccc1Br)[C@@H](O)C1CCOCC1 ZINC000087381616 185223022 /nfs/dbraw/zinc/22/30/22/185223022.db2.gz ABJFMPRMDSASLK-OCCSQVGLSA-N 1 0 314.223 2.279 10 0 DEAERO [NH3+]C[C@H](Nc1ccccc1S(=O)(=O)C(F)(F)F)C1CC1 ZINC000087384459 185223260 /nfs/dbraw/zinc/22/32/60/185223260.db2.gz FMFDDDLODUGRPX-JTQLQIEISA-N 1 0 308.325 2.129 10 0 DEAERO CC(C)[C@@H](C[NH3+])NC(=O)c1cc(Br)ccc1F ZINC000087403313 185223571 /nfs/dbraw/zinc/22/35/71/185223571.db2.gz LIHVLJCZKNCZHQ-LLVKDONJSA-N 1 0 303.175 2.301 10 0 DEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000087404216 185223731 /nfs/dbraw/zinc/22/37/31/185223731.db2.gz VWCTZVRCMZEQJR-QMMMGPOBSA-N 1 0 311.234 2.399 10 0 DEAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000087403996 185223790 /nfs/dbraw/zinc/22/37/90/185223790.db2.gz JZBATTHSOMKNLP-MRVPVSSYSA-N 1 0 311.234 2.399 10 0 DEAERO CC(C)[C@H](C[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000087406263 185224082 /nfs/dbraw/zinc/22/40/82/185224082.db2.gz XXXOATNTMJKDEK-NSHDSACASA-N 1 0 311.179 2.028 10 0 DEAERO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000173259814 282190007 /nfs/dbraw/zinc/19/00/07/282190007.db2.gz NWOQYGDRNDTTLC-CYBMUJFWSA-N 1 0 320.481 2.205 10 0 DEAERO COc1ccc(Br)c(C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000087790770 185232122 /nfs/dbraw/zinc/23/21/22/185232122.db2.gz OCQYXIZJDFQPRI-CYBMUJFWSA-N 1 0 300.196 2.067 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000087532946 185227628 /nfs/dbraw/zinc/22/76/28/185227628.db2.gz NOSJQGBXGSGGBB-VIFPVBQESA-N 1 0 310.419 2.337 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000087522245 185227811 /nfs/dbraw/zinc/22/78/11/185227811.db2.gz FEEYAVCFNROOLG-QMMMGPOBSA-N 1 0 300.305 2.065 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2sccc2Br)C1 ZINC000087575767 185228629 /nfs/dbraw/zinc/22/86/29/185228629.db2.gz VWWGZTJKKKLLLS-HTQZYQBOSA-N 1 0 303.225 2.254 10 0 DEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000087683471 185230561 /nfs/dbraw/zinc/23/05/61/185230561.db2.gz LQQKIBWXKWROIX-RYUDHWBXSA-N 1 0 312.435 2.182 10 0 DEAERO COC(=O)C(C)(C)C[C@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000087722474 185230851 /nfs/dbraw/zinc/23/08/51/185230851.db2.gz MVIHJMZFSLVQAY-NSHDSACASA-N 1 0 310.781 2.424 10 0 DEAERO NNc1nc(NCC(C2CC2)C2CC2)c(Br)c[nH+]1 ZINC000087889444 185234839 /nfs/dbraw/zinc/23/48/39/185234839.db2.gz NCZXSWGFXDWHNX-UHFFFAOYSA-N 1 0 312.215 2.373 10 0 DEAERO CC[C@@H](C)CN(CC)c1nc(NN)[nH+]cc1Br ZINC000087893495 185235084 /nfs/dbraw/zinc/23/50/84/185235084.db2.gz VXJNCRCEWJAEAH-MRVPVSSYSA-N 1 0 302.220 2.397 10 0 DEAERO Cc1nc(Sc2ccc(Br)cn2)cc(NN)[nH+]1 ZINC000087894828 185235188 /nfs/dbraw/zinc/23/51/88/185235188.db2.gz CIENGWWJDHQFOW-UHFFFAOYSA-N 1 0 312.196 2.379 10 0 DEAERO Cn1ccnc1CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000328802261 231351806 /nfs/dbraw/zinc/35/18/06/231351806.db2.gz JPHYIXVYRWXSSW-UHFFFAOYSA-N 1 0 323.400 2.163 10 0 DEAERO O[C@@H]1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000328817216 231356280 /nfs/dbraw/zinc/35/62/80/231356280.db2.gz NYUCOGXDNDJYME-QLFBSQMISA-N 1 0 321.421 2.089 10 0 DEAERO COc1ccc(Br)cc1C[S@@](=O)C[C@@H](C)[NH3+] ZINC000088069487 185238759 /nfs/dbraw/zinc/23/87/59/185238759.db2.gz NGWHHFGMGNNYPG-VPTHRUTESA-N 1 0 306.225 2.054 10 0 DEAERO C[C@@H](CC[NH3+])S(=O)(=O)Cc1ccc(Br)s1 ZINC000088088265 185239408 /nfs/dbraw/zinc/23/94/08/185239408.db2.gz WUSQCDJGOBCCSE-ZETCQYMHSA-N 1 0 312.254 2.163 10 0 DEAERO C[C@@H](C[NH3+])C[S@](=O)Cc1cc(F)cc(Br)c1 ZINC000088089304 185239448 /nfs/dbraw/zinc/23/94/48/185239448.db2.gz HWKBGHRKXMYTBW-ZKANADHPSA-N 1 0 308.216 2.432 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3nc(N)sc3c2)C1 ZINC000087847434 185233371 /nfs/dbraw/zinc/23/33/71/185233371.db2.gz HHEGWLSKAZVNRM-LLVKDONJSA-N 1 0 304.419 2.093 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(Br)s1)[C@H]1COCCO1 ZINC000087857896 185233802 /nfs/dbraw/zinc/23/38/02/185233802.db2.gz MYUSTLBFKXMCJB-WDEREUQCSA-N 1 0 320.252 2.447 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(Br)cc1)[C@@H]1COCCO1 ZINC000087858103 185233872 /nfs/dbraw/zinc/23/38/72/185233872.db2.gz TYYHBUBNQIJAOP-KGLIPLIRSA-N 1 0 314.223 2.385 10 0 DEAERO CC[NH2+][C@@H](Cc1sccc1Br)[C@H]1COCCO1 ZINC000087857904 185233876 /nfs/dbraw/zinc/23/38/76/185233876.db2.gz MQPWUSMPUYQFOB-WDEREUQCSA-N 1 0 320.252 2.447 10 0 DEAERO CC[NH2+][C@@H](Cc1sccc1Br)[C@@H]1COCCO1 ZINC000087857902 185233917 /nfs/dbraw/zinc/23/39/17/185233917.db2.gz MQPWUSMPUYQFOB-QWRGUYRKSA-N 1 0 320.252 2.447 10 0 DEAERO CC[NH2+][C@H](Cc1ccccc1Br)[C@@H]1COCCO1 ZINC000087857919 185233941 /nfs/dbraw/zinc/23/39/41/185233941.db2.gz OQOHLKMLGKYMFU-KGLIPLIRSA-N 1 0 314.223 2.385 10 0 DEAERO CN(CC1CCCC1)c1nc(NN)[nH+]cc1Br ZINC000087877387 185234151 /nfs/dbraw/zinc/23/41/51/185234151.db2.gz KTNCWXRAZZSRFI-UHFFFAOYSA-N 1 0 300.204 2.151 10 0 DEAERO C[C@@H]1CC[C@H](Nc2nc(NN)[nH+]cc2Br)[C@@H]1C ZINC000087882936 185234388 /nfs/dbraw/zinc/23/43/88/185234388.db2.gz CHAVLBFMKXQOBH-BHNWBGBOSA-N 1 0 300.204 2.371 10 0 DEAERO C[N@@H+]1CCCC[C@H]1COc1ncc(Br)cc1CO ZINC000088165951 185241035 /nfs/dbraw/zinc/24/10/35/185241035.db2.gz BVAHNZSMEGRGIB-LBPRGKRZSA-N 1 0 315.211 2.200 10 0 DEAERO CO[C@@H](c1noc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1)C1CC1 ZINC000328884511 231376213 /nfs/dbraw/zinc/37/62/13/231376213.db2.gz NWJKCDQGOBJQSH-UONOGXRCSA-N 1 0 307.394 2.483 10 0 DEAERO C[NH2+][C@H]1CCN(c2cc(Cl)ccc2Br)C1=O ZINC000088123205 185239991 /nfs/dbraw/zinc/23/99/91/185239991.db2.gz WYHXOTQVZKDTNY-VIFPVBQESA-N 1 0 303.587 2.427 10 0 DEAERO C[NH+](C)C[C@H](O)CNc1ccc(Cl)cc1Br ZINC000088122949 185240148 /nfs/dbraw/zinc/24/01/48/185240148.db2.gz KVQUWKGROWCRMC-SECBINFHSA-N 1 0 307.619 2.437 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1 ZINC000088321420 185245437 /nfs/dbraw/zinc/24/54/37/185245437.db2.gz FEYQFJYGOHYGMN-WCBMZHEXSA-N 1 0 313.195 2.252 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(OC)c(Br)c1 ZINC000088321827 185245728 /nfs/dbraw/zinc/24/57/28/185245728.db2.gz QOVIVZHFTKIGAJ-QMMMGPOBSA-N 1 0 301.184 2.381 10 0 DEAERO C[NH2+]C[C@@H](C)Cn1cnc2ccc(Br)cc2c1=O ZINC000088452994 185251669 /nfs/dbraw/zinc/25/16/69/185251669.db2.gz LNXNRNNCUDLUKJ-SECBINFHSA-N 1 0 310.195 2.015 10 0 DEAERO CC[C@H](C[NH3+])S(=O)(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000088471907 185252073 /nfs/dbraw/zinc/25/20/73/185252073.db2.gz ASVDHEULBKBTQO-QCJFITJRSA-N 1 0 314.495 2.248 10 0 DEAERO Nc1ccc(=O)n(CCC[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000088416975 185249223 /nfs/dbraw/zinc/24/92/23/185249223.db2.gz SLPPBJHHJDRIOD-NSHDSACASA-N 1 0 303.328 2.095 10 0 DEAERO COC(=O)[C@H](CC[NH+]1CCC(C(F)(F)F)CC1)NC(C)C ZINC000088435439 185250452 /nfs/dbraw/zinc/25/04/52/185250452.db2.gz BFTYBEHQEALXNR-LBPRGKRZSA-N 1 0 310.360 2.190 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C2CCCC2)o1 ZINC000088544196 185256924 /nfs/dbraw/zinc/25/69/24/185256924.db2.gz XYOFPIIDCRNGLF-CQSZACIVSA-N 1 0 312.435 2.342 10 0 DEAERO COc1cc(C[NH2+][C@@H](C)CCCO)cc(Br)c1O ZINC000088503444 185254390 /nfs/dbraw/zinc/25/43/90/185254390.db2.gz YKRDQDWIGMNQCN-VIFPVBQESA-N 1 0 318.211 2.414 10 0 DEAERO C[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000088516366 185254642 /nfs/dbraw/zinc/25/46/42/185254642.db2.gz FGTCOOCMZSXUEB-YPMHNXCESA-N 1 0 316.492 2.496 10 0 DEAERO CCC1CCC(NS(=O)(=O)c2ccc(C[NH2+]C)o2)CC1 ZINC000088542876 185256105 /nfs/dbraw/zinc/25/61/05/185256105.db2.gz CPLIEUWVDQBGKS-UHFFFAOYSA-N 1 0 300.424 2.246 10 0 DEAERO CC(C)CCNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088542023 185256172 /nfs/dbraw/zinc/25/61/72/185256172.db2.gz NRDKVYWVFQLOKL-UHFFFAOYSA-N 1 0 302.440 2.492 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@H]2CCC[C@@H](C)C2)o1 ZINC000088544161 185256640 /nfs/dbraw/zinc/25/66/40/185256640.db2.gz CRGGIRSNMPHHPX-NEPJUHHUSA-N 1 0 300.424 2.198 10 0 DEAERO CC(C)CN(C)S(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088543727 185256648 /nfs/dbraw/zinc/25/66/48/185256648.db2.gz RQLOLPQORNZSNZ-UHFFFAOYSA-N 1 0 302.440 2.444 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@H](C)C(C)C)o1 ZINC000088543849 185256706 /nfs/dbraw/zinc/25/67/06/185256706.db2.gz RZDFJKQKYKPZIS-GFCCVEGCSA-N 1 0 302.440 2.444 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000088704645 185262673 /nfs/dbraw/zinc/26/26/73/185262673.db2.gz JEWOBFPBHHBWCK-NEPJUHHUSA-N 1 0 305.447 2.380 10 0 DEAERO CCn1ncnc1C[C@@H]([NH3+])Cc1ccccc1Br ZINC000088611944 185260096 /nfs/dbraw/zinc/26/00/96/185260096.db2.gz FMGUORDDFJFBTL-NSHDSACASA-N 1 0 309.211 2.173 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCOC3(CCCC3)C2)C1 ZINC000091767372 282206812 /nfs/dbraw/zinc/20/68/12/282206812.db2.gz HLMMERAKVZOMRO-RBSFLKMASA-N 1 0 309.454 2.260 10 0 DEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H]2CCCN(c3ccc(C)nn3)C2)C1(C)C ZINC000329288993 231490653 /nfs/dbraw/zinc/49/06/53/231490653.db2.gz QFZCBAXJDDWOPN-YALNPMBYSA-N 1 0 318.465 2.403 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(C)C)o1 ZINC000088852551 185266740 /nfs/dbraw/zinc/26/67/40/185266740.db2.gz MAYUGDQMKAEZTI-CYBMUJFWSA-N 1 0 300.424 2.198 10 0 DEAERO [NH3+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982818 192349816 /nfs/dbraw/zinc/34/98/16/192349816.db2.gz VZGDCABSKIKGPB-NEPJUHHUSA-N 1 0 318.236 2.493 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1cccc(Cl)c1 ZINC000081982183 192349966 /nfs/dbraw/zinc/34/99/66/192349966.db2.gz XPTQWDBTHQVZHO-ZIAGYGMSSA-N 1 0 317.838 2.271 10 0 DEAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081990246 192350199 /nfs/dbraw/zinc/35/01/99/192350199.db2.gz YQRZSKFKFIXWQW-CABCVRRESA-N 1 0 303.468 2.281 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)c1ccccc1OC)c1ccccc1 ZINC000081987945 192350203 /nfs/dbraw/zinc/35/02/03/192350203.db2.gz WLEZHCSNVMKFTB-CQSZACIVSA-N 1 0 305.399 2.430 10 0 DEAERO CC[NH2+][C@@H](c1ccccc1)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000081989523 192350917 /nfs/dbraw/zinc/35/09/17/192350917.db2.gz MMRFEZFNCDIPFR-XJKSGUPXSA-N 1 0 311.447 2.320 10 0 DEAERO CC(C)[C@H]([C@H]([NH3+])c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000081989579 192351405 /nfs/dbraw/zinc/35/14/05/192351405.db2.gz SHACDKGKWZNSKO-HZPDHXFCSA-N 1 0 311.447 2.305 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc3c(c2)NC(=O)CS3)CCC[C@H]1[NH3+] ZINC000165965486 197685387 /nfs/dbraw/zinc/68/53/87/197685387.db2.gz LARCWPVHJGREHG-IUODEOHRSA-N 1 0 305.403 2.187 10 0 DEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000090272068 185288716 /nfs/dbraw/zinc/28/87/16/185288716.db2.gz RUAXJAQCQFDRNC-HOCLYGCPSA-N 1 0 315.841 2.466 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)CO)c1cc2cc(Br)ccc2o1 ZINC000090282333 185289339 /nfs/dbraw/zinc/28/93/39/185289339.db2.gz VQJDSDMXTQQEBU-KWQFWETISA-N 1 0 314.179 2.199 10 0 DEAERO CC[C@@H]([NH2+]C[C@@](C)(O)CO)c1cccc(Br)c1 ZINC000090284465 185289452 /nfs/dbraw/zinc/28/94/52/185289452.db2.gz QONJQHUWRPGOTB-CHWSQXEVSA-N 1 0 302.212 2.233 10 0 DEAERO CCCN(C(=O)c1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000090293022 185289484 /nfs/dbraw/zinc/28/94/84/185289484.db2.gz PZXKQDVPGRMYJY-UHFFFAOYSA-N 1 0 315.186 2.412 10 0 DEAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)c1cncc(Br)c1 ZINC000166185759 197689450 /nfs/dbraw/zinc/68/94/50/197689450.db2.gz CBSKJNGCLGPNSD-LBPRGKRZSA-N 1 0 312.211 2.293 10 0 DEAERO COC(=O)c1ccc(C[NH+]2CCC(Cn3cccn3)CC2)o1 ZINC000090473509 185298502 /nfs/dbraw/zinc/29/85/02/185298502.db2.gz WIRAXOIWHGYVLM-UHFFFAOYSA-N 1 0 303.362 2.175 10 0 DEAERO CC(C)(C)[NH2+]C[C@]1(CCCS(C)(=O)=O)CCO[C@@H]1C1CC1 ZINC000166371073 197692391 /nfs/dbraw/zinc/69/23/91/197692391.db2.gz JGDMWXHIDXGKAM-ZBFHGGJFSA-N 1 0 317.495 2.385 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000090432813 185295794 /nfs/dbraw/zinc/29/57/94/185295794.db2.gz ZWHYTUHNMOOISZ-YPMHNXCESA-N 1 0 305.765 2.061 10 0 DEAERO CC(C)Oc1ccc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])cc1Cl ZINC000090588731 185305656 /nfs/dbraw/zinc/30/56/56/185305656.db2.gz RGKOLTABLDODMJ-UKRRQHHQSA-N 1 0 312.797 2.430 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000090541150 185301812 /nfs/dbraw/zinc/30/18/12/185301812.db2.gz SPLNQZQLHNBNBH-GWCFXTLKSA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000090543851 185302059 /nfs/dbraw/zinc/30/20/59/185302059.db2.gz IOVIJMJQXBRBJE-QWRGUYRKSA-N 1 0 311.451 2.394 10 0 DEAERO O=C(c1ccno1)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701137 185310465 /nfs/dbraw/zinc/31/04/65/185310465.db2.gz QEJPAOOOCDMYHG-CYBMUJFWSA-N 1 0 309.435 2.108 10 0 DEAERO CCC[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1S(=O)(=O)CC ZINC000092388567 185315261 /nfs/dbraw/zinc/31/52/61/185315261.db2.gz JDSMTJLKZFMYEB-HOTGVXAUSA-N 1 0 311.447 2.485 10 0 DEAERO c1ccc(-n2nnnc2CC[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000613564502 362147613 /nfs/dbraw/zinc/14/76/13/362147613.db2.gz CNOGLCPILXFURK-UHFFFAOYSA-N 1 0 321.384 2.099 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)[C@@H](OC)C1CCCCC1 ZINC000167323546 197707266 /nfs/dbraw/zinc/70/72/66/197707266.db2.gz NYTUZRRAPPKSPM-CABCVRRESA-N 1 0 305.484 2.385 10 0 DEAERO C[NH+]1CCC(n2c(N)nc3cc(Br)cnc32)CC1 ZINC000092575300 185326694 /nfs/dbraw/zinc/32/66/94/185326694.db2.gz MAVAVOLDLBZXMW-UHFFFAOYSA-N 1 0 310.199 2.043 10 0 DEAERO CC[N@@H+]1CCC[C@H](n2c(N)nc3cc(Br)cnc32)C1 ZINC000092575479 185326872 /nfs/dbraw/zinc/32/68/72/185326872.db2.gz UXLLMCBCIBQHKK-JTQLQIEISA-N 1 0 324.226 2.433 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Cl)ccc1NN ZINC000092675447 185333223 /nfs/dbraw/zinc/33/32/23/185333223.db2.gz PLUKTRBCHGUYQP-LBPRGKRZSA-N 1 0 310.829 2.182 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(C(N)=S)CCCCC1 ZINC000092631811 185330594 /nfs/dbraw/zinc/33/05/94/185330594.db2.gz NMSZJLKELRPOJF-CYBMUJFWSA-N 1 0 311.495 2.166 10 0 DEAERO C[C@@H](c1ccccc1Cl)N(C)C(=O)CN1CCC([NH3+])CC1 ZINC000092714093 185335987 /nfs/dbraw/zinc/33/59/87/185335987.db2.gz UPLMOFLLDLTFAE-LBPRGKRZSA-N 1 0 309.841 2.283 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])c2ccncc2C)c1Br ZINC000167680860 197711871 /nfs/dbraw/zinc/71/18/71/197711871.db2.gz DZVNULQRJMADFV-NSHDSACASA-N 1 0 309.211 2.437 10 0 DEAERO C[NH+](C)C1CCN(c2cc3c(cc2Cl)C(=O)C(=O)N3)CC1 ZINC000092772361 185339853 /nfs/dbraw/zinc/33/98/53/185339853.db2.gz RBTVISQIADNYOA-UHFFFAOYSA-N 1 0 307.781 2.005 10 0 DEAERO CC1(C)C(CNS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)C1(C)C ZINC000092820289 185343959 /nfs/dbraw/zinc/34/39/59/185343959.db2.gz VJVNEAYHYOVITN-LBPRGKRZSA-N 1 0 302.484 2.120 10 0 DEAERO CCC[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)CCC ZINC000092859191 185346770 /nfs/dbraw/zinc/34/67/70/185346770.db2.gz FUWYQYMBAPHRPR-HOTGVXAUSA-N 1 0 311.447 2.485 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](S(=O)(=O)CC1CCCC1)C2 ZINC000092859309 185346898 /nfs/dbraw/zinc/34/68/98/185346898.db2.gz YGXAHQSJHGNJRK-HZPDHXFCSA-N 1 0 309.431 2.225 10 0 DEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1Sc1nncn1C ZINC000092860535 185347091 /nfs/dbraw/zinc/34/70/91/185347091.db2.gz YRZXHKKBFXQRQU-ZIAGYGMSSA-N 1 0 304.419 2.191 10 0 DEAERO CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000181403023 199291673 /nfs/dbraw/zinc/29/16/73/199291673.db2.gz KLEAPQZXUHDSPE-ZDUSSCGKSA-N 1 0 321.421 2.218 10 0 DEAERO COc1ccc(Br)cc1NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000092956234 185350268 /nfs/dbraw/zinc/35/02/68/185350268.db2.gz XLEAIDXHMWTKSW-WCBMZHEXSA-N 1 0 313.195 2.394 10 0 DEAERO C[C@@H]1C[C@H](NCc2cc(C(N)=O)co2)C[N@@H+]1Cc1ccccc1 ZINC000189411298 282309029 /nfs/dbraw/zinc/30/90/29/282309029.db2.gz MPEBUXJYLNVPRL-CJNGLKHVSA-N 1 0 313.401 2.131 10 0 DEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccncc3Br)C[C@@H]2C1 ZINC000625473026 365800201 /nfs/dbraw/zinc/80/02/01/365800201.db2.gz UFOJIJZDJWOEKA-KGYLQXTDSA-N 1 0 311.223 2.437 10 0 DEAERO CS[C@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@H]1[NH+]1CCCC1 ZINC000614279327 362338370 /nfs/dbraw/zinc/33/83/70/362338370.db2.gz VBQZMBPXCWWLCG-CABCVRRESA-N 1 0 307.463 2.283 10 0 DEAERO COC(=O)C(C)(C)[C@H]([NH2+]C[C@@H](O)CSC)c1ccccc1 ZINC000614567749 362410263 /nfs/dbraw/zinc/41/02/63/362410263.db2.gz LJHWGIHIKOMXGL-ZIAGYGMSSA-N 1 0 311.447 2.240 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cccnc2OC)C[C@@H]1CC ZINC000193336558 282348020 /nfs/dbraw/zinc/34/80/20/282348020.db2.gz ZOBCSHCGDCELIG-INIZCTEOSA-N 1 0 307.438 2.023 10 0 DEAERO c1n[nH]cc1CN1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000625475245 365801725 /nfs/dbraw/zinc/80/17/25/365801725.db2.gz ZKBPHCNBQUTYAL-INIZCTEOSA-N 1 0 310.445 2.332 10 0 DEAERO C[C@@H](O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000085989304 539403613 /nfs/dbraw/zinc/40/36/13/539403613.db2.gz LBMWBWUDAMDDSV-MWLCHTKSSA-N 1 0 308.205 2.094 10 0 DEAERO C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cc(F)ccc1F ZINC000091134714 539418361 /nfs/dbraw/zinc/41/83/61/539418361.db2.gz ULEOUNBQOVTTAC-MWLCHTKSSA-N 1 0 300.374 2.237 10 0 DEAERO NC(=[NH2+])c1ccc(Sc2ncnc3[nH]cnc32)cc1Cl ZINC000061857042 190694363 /nfs/dbraw/zinc/69/43/63/190694363.db2.gz VVHFWIODFWCXSS-UHFFFAOYSA-N 1 0 304.766 2.442 10 0 DEAERO Clc1ccc([C@H](C[NH2+][C@@H]2CCCOC2)N2CCOCC2)cc1 ZINC000119803458 539447594 /nfs/dbraw/zinc/44/75/94/539447594.db2.gz TVBQWIOSCZCSEE-SJORKVTESA-N 1 0 324.852 2.482 10 0 DEAERO O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000083433966 192370608 /nfs/dbraw/zinc/37/06/08/192370608.db2.gz JVOUIFUIIPEWLM-KSZLIROESA-N 1 0 310.397 2.330 10 0 DEAERO OCC[C@@]1(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CCOC1 ZINC000125523667 539473395 /nfs/dbraw/zinc/47/33/95/539473395.db2.gz TUJMKSAPJIGWNC-WBVHZDCISA-N 1 0 309.381 2.418 10 0 DEAERO CC[NH2+]C[C@H](CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000111456066 185606150 /nfs/dbraw/zinc/60/61/50/185606150.db2.gz NVLOBIALJLHKHZ-QWHCGFSZSA-N 1 0 301.477 2.341 10 0 DEAERO Cc1nc(CN(C)c2nc3sccn3c2CC[NH3+])cs1 ZINC000111483316 185608265 /nfs/dbraw/zinc/60/82/65/185608265.db2.gz YKVHUQCKHNQTMB-UHFFFAOYSA-N 1 0 307.448 2.298 10 0 DEAERO C[C@@H]([NH3+])Cc1c(Cl)cccc1SCCS(C)(=O)=O ZINC000111578888 185614097 /nfs/dbraw/zinc/61/40/97/185614097.db2.gz ZUDKDTPJYGOMFL-SECBINFHSA-N 1 0 307.868 2.366 10 0 DEAERO CC[C@H]([NH2+]CCCNC(=O)c1cccs1)c1nccn1C ZINC000183264073 199564491 /nfs/dbraw/zinc/56/44/91/199564491.db2.gz MGHCAKUHBPUOMT-LBPRGKRZSA-N 1 0 306.435 2.342 10 0 DEAERO CCS(=O)(=O)c1ccccc1N1CCC[C@@H]([C@@H](C)[NH2+]C)C1 ZINC000111716808 185630371 /nfs/dbraw/zinc/63/03/71/185630371.db2.gz FMRLDEMPPHKCEE-ZIAGYGMSSA-N 1 0 310.463 2.305 10 0 DEAERO Fc1ccc2oc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)nc2c1 ZINC000151275545 539526677 /nfs/dbraw/zinc/52/66/77/539526677.db2.gz ODKXOUOQPJFISQ-GFCCVEGCSA-N 1 0 315.352 2.471 10 0 DEAERO [NH3+]C[C@H]1Cc2ccccc2CN1c1ncc(Br)cn1 ZINC000111751395 185633020 /nfs/dbraw/zinc/63/30/20/185633020.db2.gz URVFVSVZIRIUJW-CYBMUJFWSA-N 1 0 319.206 2.129 10 0 DEAERO COC(=O)C(C)(C)[C@H]1CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000615794711 362704404 /nfs/dbraw/zinc/70/44/04/362704404.db2.gz PCOMMJZSQACRJX-QWRGUYRKSA-N 1 0 311.344 2.211 10 0 DEAERO CS[C@H]1CN(C(=O)Nc2ccc(C)nc2)C[C@H]1[NH+]1CCCC1 ZINC000615932974 362735305 /nfs/dbraw/zinc/73/53/05/362735305.db2.gz XKDHRBJJEYVZDH-CABCVRRESA-N 1 0 320.462 2.434 10 0 DEAERO C[C@@H]1CCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@@H]1[NH3+] ZINC000070145171 190862329 /nfs/dbraw/zinc/86/23/29/190862329.db2.gz XRCYJKDHCXHEEP-RITPCOANSA-N 1 0 308.250 2.191 10 0 DEAERO C[NH2+]CC[C@H]1CCCCN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000070192440 190870701 /nfs/dbraw/zinc/87/07/01/190870701.db2.gz IHVUYYIUYUIJOM-OAHLLOKOSA-N 1 0 314.426 2.120 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(C[NH3+])o1 ZINC000168313308 539612364 /nfs/dbraw/zinc/61/23/64/539612364.db2.gz ALTGFBBUTWZXJU-ZDUSSCGKSA-N 1 0 302.378 2.066 10 0 DEAERO CCN1CCO[C@H](C[NH2+]C)[C@@H]1c1cccc(Br)c1 ZINC000070287996 190877505 /nfs/dbraw/zinc/87/75/05/190877505.db2.gz ATYBZQQKMVKIBS-KGLIPLIRSA-N 1 0 313.239 2.430 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1ccc(Br)cc1 ZINC000070288071 190877804 /nfs/dbraw/zinc/87/78/04/190877804.db2.gz NFRAWSLVNQBWCW-KBPBESRZSA-N 1 0 313.239 2.430 10 0 DEAERO COC(=O)c1cnc(-c2cccc(F)c2)nc1[C@@H]1CCC[NH2+]1 ZINC000616579301 362894305 /nfs/dbraw/zinc/89/43/05/362894305.db2.gz QBGQDEVIEXLYIK-ZDUSSCGKSA-N 1 0 301.321 2.494 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2cccnc2N)C1 ZINC000616621034 362898835 /nfs/dbraw/zinc/89/88/35/362898835.db2.gz ZLJVHQPNYULEJB-CYBMUJFWSA-N 1 0 320.437 2.368 10 0 DEAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](c2ccccc2F)C1 ZINC000616633500 362901914 /nfs/dbraw/zinc/90/19/14/362901914.db2.gz BOVKBCBUOIRITL-HNNXBMFYSA-N 1 0 323.412 2.297 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2conn2)CC1 ZINC000616627551 362900788 /nfs/dbraw/zinc/90/07/88/362900788.db2.gz HIJZWUHICBWMCR-LBPRGKRZSA-N 1 0 310.398 2.164 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000175406894 539623992 /nfs/dbraw/zinc/62/39/92/539623992.db2.gz LPCXDBWHLFJFSZ-SWLSCSKDSA-N 1 0 315.417 2.105 10 0 DEAERO CCOC1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000178722419 539637424 /nfs/dbraw/zinc/63/74/24/539637424.db2.gz KGVQLSLVPNUXJG-UHFFFAOYSA-N 1 0 311.470 2.317 10 0 DEAERO O=C1CCCN1C[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000178839700 539637437 /nfs/dbraw/zinc/63/74/37/539637437.db2.gz HFZWDVZPCYTSQA-HNNXBMFYSA-N 1 0 322.836 2.292 10 0 DEAERO Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000178845629 539637629 /nfs/dbraw/zinc/63/76/29/539637629.db2.gz XQHJDJYERWITPG-VUCTXSBTSA-N 1 0 312.417 2.485 10 0 DEAERO CC[C@@H]1CN(c2ncnc3c(C)cccc32)CC[N@@H+]1C[C@@H](C)O ZINC000177929632 539633060 /nfs/dbraw/zinc/63/30/60/539633060.db2.gz BPRIPESMJMOFLS-HUUCEWRRSA-N 1 0 314.433 2.220 10 0 DEAERO C[C@@]([NH3+])(CO)CCCCSc1ccc(S(C)(=O)=O)cc1 ZINC000070520228 190903742 /nfs/dbraw/zinc/90/37/42/190903742.db2.gz TYFZNDWGGNIUCU-AWEZNQCLSA-N 1 0 317.476 2.062 10 0 DEAERO C[C@@](O)(C[NH3+])CCCCSc1nnc(C2CC2)n1C1CC1 ZINC000070522102 190904574 /nfs/dbraw/zinc/90/45/74/190904574.db2.gz JDYUAIQWPJZHOG-HNNXBMFYSA-N 1 0 310.467 2.463 10 0 DEAERO C[C@H]1CCN(C(=O)N[C@H]2CCOc3c(F)cccc32)[C@@H](C[NH3+])C1 ZINC000333830726 282976036 /nfs/dbraw/zinc/97/60/36/282976036.db2.gz STBJZWVJFWMXOO-ZOWXZIJZSA-N 1 0 321.396 2.418 10 0 DEAERO CCN(Cc1cccc2cnccc21)[C@H](C)CS(C)(=O)=O ZINC000183303034 539661483 /nfs/dbraw/zinc/66/14/83/539661483.db2.gz KHLLBWXRYASQFN-CYBMUJFWSA-N 1 0 306.431 2.490 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)cn1 ZINC000083550236 192372645 /nfs/dbraw/zinc/37/26/45/192372645.db2.gz UORFEHKHFAXYTN-ZYHUDNBSSA-N 1 0 324.222 2.153 10 0 DEAERO COC(=O)[C@@H]1CCC[C@@H](C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000130189468 185945048 /nfs/dbraw/zinc/94/50/48/185945048.db2.gz KESUAAOFTUOXTK-LVDPKSTMSA-N 1 0 324.465 2.202 10 0 DEAERO C[C@H](c1noc([C@H]2CC[C@@H]([NH3+])[C@@H](C)C2(C)C)n1)S(C)(=O)=O ZINC000130226739 185947734 /nfs/dbraw/zinc/94/77/34/185947734.db2.gz LVLQEWJPMGLYQH-GWOFURMSSA-N 1 0 315.439 2.042 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC(c2ccncc2)CC1 ZINC000333833930 282976878 /nfs/dbraw/zinc/97/68/78/282976878.db2.gz MZVNUDIVBCYRJO-INIZCTEOSA-N 1 0 302.422 2.113 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Br)s1)[C@H]1COCCO1 ZINC000083743251 192380381 /nfs/dbraw/zinc/38/03/81/192380381.db2.gz FPXVAKIJBDAZNG-NXEZZACHSA-N 1 0 306.225 2.057 10 0 DEAERO CC(C)C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCCS(C)(=O)=O ZINC000071347541 190960822 /nfs/dbraw/zinc/96/08/22/190960822.db2.gz RSUKRKCUKLSIGM-GJZGRUSLSA-N 1 0 318.527 2.156 10 0 DEAERO Cc1c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)ccn1C ZINC000195123847 539720533 /nfs/dbraw/zinc/72/05/33/539720533.db2.gz GXZMDVWVYGQGCY-UHFFFAOYSA-N 1 0 312.417 2.123 10 0 DEAERO CC[NH2+]Cc1ccc(O[C@H](CC)C(N)=O)c(C(F)(F)F)c1 ZINC000071398622 190967200 /nfs/dbraw/zinc/96/72/00/190967200.db2.gz BYVXEEJZVNBULI-LLVKDONJSA-N 1 0 304.312 2.458 10 0 DEAERO COc1cccc([S@](=O)[C@@H]2COc3ccccc3[C@@H]2[NH3+])c1 ZINC000084003182 192395170 /nfs/dbraw/zinc/39/51/70/192395170.db2.gz BHEGFDGZLWPHIV-VWKPWSFCSA-N 1 0 303.383 2.264 10 0 DEAERO [NH3+][C@H](C[S@@](=O)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000084001290 192395795 /nfs/dbraw/zinc/39/57/95/192395795.db2.gz BRLNHKWOLWZPJZ-GTJPDFRWSA-N 1 0 307.346 2.362 10 0 DEAERO COc1cccc(C[C@@H]2C[NH2+]CCN2C(=O)OC(C)(C)C)c1 ZINC000071661990 191000429 /nfs/dbraw/zinc/00/04/29/191000429.db2.gz LIDWSWATOCOLFC-CQSZACIVSA-N 1 0 306.406 2.447 10 0 DEAERO CC[C@@H]1C[NH2+]CC[C@]1(O)c1c(Br)cnn1C(C)C ZINC000133533285 185993020 /nfs/dbraw/zinc/99/30/20/185993020.db2.gz KIFANBCUXBJFGP-ZWNOBZJWSA-N 1 0 316.243 2.434 10 0 DEAERO CCC(=O)N1C[C@H](C)Oc2ccc(C(=O)[C@H]3CCC[NH2+]C3)cc21 ZINC000071676073 191005070 /nfs/dbraw/zinc/00/50/70/191005070.db2.gz WKFMOMMMAQXAQA-JSGCOSHPSA-N 1 0 316.401 2.393 10 0 DEAERO COc1cc2c(c(F)c1)CN(CCc1nccs1)[C@H]2C[NH3+] ZINC000071683458 191006525 /nfs/dbraw/zinc/00/65/25/191006525.db2.gz USHIPOCGMJPFEE-AWEZNQCLSA-N 1 0 307.394 2.349 10 0 DEAERO Cn1ncc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000287092924 219307955 /nfs/dbraw/zinc/30/79/55/219307955.db2.gz POHUETUCJHDATO-ZNXRZULTSA-N 1 0 311.433 2.100 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000245541812 539757002 /nfs/dbraw/zinc/75/70/02/539757002.db2.gz QTMKZHRKHJWDNW-TZMCWYRMSA-N 1 0 307.442 2.488 10 0 DEAERO CC[C@H]1CCCCN1S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138444836 186017294 /nfs/dbraw/zinc/01/72/94/186017294.db2.gz BZVOBAGUYFGEDX-NSHDSACASA-N 1 0 318.389 2.377 10 0 DEAERO CCCNS(=O)(=O)c1cc(C[NH2+]CCC)cc(F)c1F ZINC000138595911 186017998 /nfs/dbraw/zinc/01/79/98/186017998.db2.gz GIWQPEPYKBJFOJ-UHFFFAOYSA-N 1 0 306.378 2.153 10 0 DEAERO COc1cc(C[NH2+]CCc2ncc[nH]2)c(SC)cc1OC ZINC000139171381 186020186 /nfs/dbraw/zinc/02/01/86/186020186.db2.gz IARMEUCQLXWDDR-UHFFFAOYSA-N 1 0 307.419 2.481 10 0 DEAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2ccc(Br)cn2)no1 ZINC000139786263 186023911 /nfs/dbraw/zinc/02/39/11/186023911.db2.gz KQGGSOFXDQNXJG-VIFPVBQESA-N 1 0 311.183 2.420 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc(Br)cn2)no1 ZINC000139806548 186024144 /nfs/dbraw/zinc/02/41/44/186024144.db2.gz CZZVZNHZSFCBBZ-CBAPKCEASA-N 1 0 309.167 2.217 10 0 DEAERO C[C@H]1CCC[C@H](C[NH3+])N1[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147723291 186041407 /nfs/dbraw/zinc/04/14/07/186041407.db2.gz YQFPXOBVWQURQL-GZBFAFLISA-N 1 0 308.447 2.107 10 0 DEAERO Cc1nc(OCc2ccc(Br)cc2)cc(NN)[nH+]1 ZINC000147817987 186042052 /nfs/dbraw/zinc/04/20/52/186042052.db2.gz WYDQRJPEFUELQE-UHFFFAOYSA-N 1 0 309.167 2.412 10 0 DEAERO C[C@H]1OCC[C@@]1(C[NH3+])N(C)Cc1csc(Br)c1 ZINC000147969249 186042318 /nfs/dbraw/zinc/04/23/18/186042318.db2.gz LZMNHQGHPUWZMI-SKDRFNHKSA-N 1 0 319.268 2.449 10 0 DEAERO C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1cccc(Br)c1 ZINC000148105767 186043265 /nfs/dbraw/zinc/04/32/65/186043265.db2.gz VVXADSAJANAAQF-CWSCBRNRSA-N 1 0 311.223 2.482 10 0 DEAERO O=C1N(CC[NH+]2CCCCC2)[C@@H](c2ccsc2)NC12CC2 ZINC000144043088 186034415 /nfs/dbraw/zinc/03/44/15/186034415.db2.gz XSUCEMUSLGZVSQ-AWEZNQCLSA-N 1 0 305.447 2.197 10 0 DEAERO CC[C@@H]1N[C@@H](c2ccsc2)N(CC[NH+]2CCCCC2)C1=O ZINC000144076988 186035153 /nfs/dbraw/zinc/03/51/53/186035153.db2.gz COSRYUYNSMLUNG-LSDHHAIUSA-N 1 0 307.463 2.443 10 0 DEAERO CCCC[C@@H]1N[C@H](c2cccs2)N([C@@H]2CC[N@H+](C)C2)C1=O ZINC000145289259 186037076 /nfs/dbraw/zinc/03/70/76/186037076.db2.gz ZNPIBTGXKQOPSQ-IPYPFGDCSA-N 1 0 307.463 2.441 10 0 DEAERO CCCC[C@@H]1N[C@@H](c2cccs2)N([C@@H]2CC[N@H+](C)C2)C1=O ZINC000145288858 186037116 /nfs/dbraw/zinc/03/71/16/186037116.db2.gz ZNPIBTGXKQOPSQ-VNHYZAJKSA-N 1 0 307.463 2.441 10 0 DEAERO CCCNc1cc(NCC[N@H+](C)CCOC)nc(SC)n1 ZINC000149293897 186048921 /nfs/dbraw/zinc/04/89/21/186048921.db2.gz BHZZRVXKDXYHHY-UHFFFAOYSA-N 1 0 313.471 2.011 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000149506983 186050439 /nfs/dbraw/zinc/05/04/39/186050439.db2.gz CUTKOXAKVYNJLC-JTQLQIEISA-N 1 0 311.813 2.355 10 0 DEAERO C[C@H](CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000149513203 186051186 /nfs/dbraw/zinc/05/11/86/186051186.db2.gz QCJPQZVZQLRVIH-BMFZPTHFSA-N 1 0 310.463 2.227 10 0 DEAERO CCn1nc(C)c(Br)c1C[NH2+][C@H]1CCO[C@@H]1C ZINC000149601084 186051737 /nfs/dbraw/zinc/05/17/37/186051737.db2.gz ITSLIONXACGSIS-ZJUUUORDSA-N 1 0 302.216 2.241 10 0 DEAERO C[C@H](CC(=O)NC[C@@H](O)c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000262629040 282676123 /nfs/dbraw/zinc/67/61/23/282676123.db2.gz VAYZXEAZUNBNDL-IVMMDQJWSA-N 1 0 308.397 2.001 10 0 DEAERO Cc1c(C(=O)NCC(C)(C)[NH3+])cnn1-c1ccccc1Cl ZINC000262629573 282676143 /nfs/dbraw/zinc/67/61/43/282676143.db2.gz LXPLLZSUABPWJI-UHFFFAOYSA-N 1 0 306.797 2.301 10 0 DEAERO CCCNc1nc(Cl)nc(N2CC[C@@H]([NH+](CC)CC)C2)n1 ZINC000149912292 186053471 /nfs/dbraw/zinc/05/34/71/186053471.db2.gz HSGZSDSIIASRGG-LLVKDONJSA-N 1 0 312.849 2.267 10 0 DEAERO C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000150093252 186054517 /nfs/dbraw/zinc/05/45/17/186054517.db2.gz GZPINDMAPOUQIS-ZYHUDNBSSA-N 1 0 323.336 2.280 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C)CC[C@H]1[NH3+] ZINC000251622653 539783706 /nfs/dbraw/zinc/78/37/06/539783706.db2.gz FBHZXECFRWHQRJ-DGCLKSJQSA-N 1 0 316.854 2.396 10 0 DEAERO CC(=O)Nc1nc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000252412641 539784032 /nfs/dbraw/zinc/78/40/32/539784032.db2.gz AIIDPIYKGLAKFD-GXTWGEPZSA-N 1 0 308.451 2.066 10 0 DEAERO COc1ccccc1N1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC000150230075 186055868 /nfs/dbraw/zinc/05/58/68/186055868.db2.gz VRZMYWSCRRFMTL-UHFFFAOYSA-N 1 0 319.449 2.120 10 0 DEAERO [NH3+]Cc1nc([C@@H]2CCS(=O)(=O)C2)sc1-c1ccccc1 ZINC000150325301 186056539 /nfs/dbraw/zinc/05/65/39/186056539.db2.gz HZSOQBUHYJXGNY-LLVKDONJSA-N 1 0 308.428 2.171 10 0 DEAERO COc1ccc2c(c1)C(=O)N(C)C1(CC[NH+](CC3CC3)CC1)N2 ZINC000072275145 191097410 /nfs/dbraw/zinc/09/74/10/191097410.db2.gz HHFWTHBVLLESSL-UHFFFAOYSA-N 1 0 315.417 2.395 10 0 DEAERO C[C@H]1CN(C(=O)c2cccc(F)c2Br)CC[NH2+]1 ZINC000155725247 186106867 /nfs/dbraw/zinc/10/68/67/186106867.db2.gz QCUQCQURFBVFAM-QMMMGPOBSA-N 1 0 301.159 2.022 10 0 DEAERO O=C(Nc1ccc(F)c(Br)c1)[C@H]1CSCC[NH2+]1 ZINC000164014893 186146045 /nfs/dbraw/zinc/14/60/45/186146045.db2.gz URDAQZVTBKAHSF-SNVBAGLBSA-N 1 0 319.199 2.232 10 0 DEAERO C[NH2+]CCOc1ncc(Br)cc1Br ZINC000164056236 186147135 /nfs/dbraw/zinc/14/71/35/186147135.db2.gz OQERNVMCIFABAX-UHFFFAOYSA-N 1 0 309.989 2.205 10 0 DEAERO CCC[C@H](C(=O)NC[C@](C)(O)c1ccccc1Cl)[NH+](C)C ZINC000155865887 186118897 /nfs/dbraw/zinc/11/88/97/186118897.db2.gz TVTDMZZPRSZTSC-ZBFHGGJFSA-N 1 0 312.841 2.394 10 0 DEAERO [NH3+]Cc1ccccc1NC(=O)C[S@@](=O)c1ccc(F)cc1 ZINC000155918161 186122895 /nfs/dbraw/zinc/12/28/95/186122895.db2.gz AADZKNXOXYCRLH-NRFANRHFSA-N 1 0 306.362 2.031 10 0 DEAERO O=C(NC[C@@H]1CCCC[NH2+]1)c1cccc(F)c1Br ZINC000155977719 186124548 /nfs/dbraw/zinc/12/45/48/186124548.db2.gz QADNWZHOGKQBST-VIFPVBQESA-N 1 0 315.186 2.460 10 0 DEAERO CN1C(=O)CC[C@H]([NH2+]Cc2c[nH]c3cc(Cl)ccc23)C1=O ZINC000163890633 186141372 /nfs/dbraw/zinc/14/13/72/186141372.db2.gz BSEGBKFFWQLSFE-LBPRGKRZSA-N 1 0 305.765 2.058 10 0 DEAERO COc1ccc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173285082 186172143 /nfs/dbraw/zinc/17/21/43/186172143.db2.gz KNGPVWPRSCSODL-GDBMZVCRSA-N 1 0 319.449 2.362 10 0 DEAERO CCCCN(C(=O)CC(=O)NC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000185164384 282703492 /nfs/dbraw/zinc/70/34/92/282703492.db2.gz ADTDBCQMRQQHEQ-UHFFFAOYSA-N 1 0 311.470 2.060 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(CCO)CCOC ZINC000164181103 186151257 /nfs/dbraw/zinc/15/12/57/186151257.db2.gz YCVNVWPQGSBMBC-LSDHHAIUSA-N 1 0 300.830 2.059 10 0 DEAERO C[C@@H](C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)C1C[NH2+]C1 ZINC000164278265 186154440 /nfs/dbraw/zinc/15/44/40/186154440.db2.gz GVLLZWDSFHUAAE-ABAIWWIYSA-N 1 0 308.809 2.095 10 0 DEAERO [NH3+][C@H](C[C@H]1CCS(=O)(=O)C1)c1cscc1Br ZINC000164381866 186157974 /nfs/dbraw/zinc/15/79/74/186157974.db2.gz SWPVFICRSZIOFN-GMSGAONNSA-N 1 0 324.265 2.335 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OC)c1 ZINC000173330390 186177153 /nfs/dbraw/zinc/17/71/53/186177153.db2.gz IVQDRGLEQBABGU-JKSUJKDBSA-N 1 0 317.433 2.463 10 0 DEAERO CC(C)[C@H](O)CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000247230138 535151711 /nfs/dbraw/zinc/15/17/11/535151711.db2.gz OTICNMGXUVGEJM-OWCLPIDISA-N 1 0 313.486 2.061 10 0 DEAERO C[N@H+](Cc1ccc(Br)cc1F)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626036572 366015242 /nfs/dbraw/zinc/01/52/42/366015242.db2.gz GZZGZDIYYRQGFB-JGZJWPJOSA-N 1 0 315.186 2.284 10 0 DEAERO O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905033 198005354 /nfs/dbraw/zinc/00/53/54/198005354.db2.gz YIHBZWSFUBBLFP-OWCLPIDISA-N 1 0 303.381 2.171 10 0 DEAERO Cc1nc2ccccc2n1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000172058388 198032915 /nfs/dbraw/zinc/03/29/15/198032915.db2.gz KFDYCDLPNFSQRS-ZFWWWQNUSA-N 1 0 312.417 2.040 10 0 DEAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCc2scnc2C)C1 ZINC000172532060 198110976 /nfs/dbraw/zinc/11/09/76/198110976.db2.gz YRFUPYDWQIYYDD-CYBMUJFWSA-N 1 0 305.451 2.485 10 0 DEAERO c1ncc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc1OC1CCCCC1 ZINC000333881452 282985591 /nfs/dbraw/zinc/98/55/91/282985591.db2.gz DPUBDCUQZAOLDR-UKRRQHHQSA-N 1 0 302.422 2.376 10 0 DEAERO CCN(C(=O)c1ccncc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000617553698 363180061 /nfs/dbraw/zinc/18/00/61/363180061.db2.gz OECRHPQPQUSTRT-SNVBAGLBSA-N 1 0 312.211 2.010 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000072820339 191233469 /nfs/dbraw/zinc/23/34/69/191233469.db2.gz ZQTFJXCUTAXXCE-KRWDZBQOSA-N 1 0 323.396 2.293 10 0 DEAERO Fc1ccc(-c2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)nc1 ZINC000329636153 539925639 /nfs/dbraw/zinc/92/56/39/539925639.db2.gz YCNFTVWFLDNFPR-AAEUAGOBSA-N 1 0 304.325 2.197 10 0 DEAERO Cc1nc(C2CC2)oc1-c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000329728271 539927866 /nfs/dbraw/zinc/92/78/66/539927866.db2.gz PACHSWAWUWLHJI-VXGBXAGGSA-N 1 0 316.361 2.446 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000173265167 198203489 /nfs/dbraw/zinc/20/34/89/198203489.db2.gz KETJCZJFJBDNDW-ZWNOBZJWSA-N 1 0 318.389 2.068 10 0 DEAERO Cc1cccc(CS(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173274207 198205000 /nfs/dbraw/zinc/20/50/00/198205000.db2.gz BHWGYCJRQUISCR-GDBMZVCRSA-N 1 0 310.463 2.239 10 0 DEAERO COc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000333295921 539955262 /nfs/dbraw/zinc/95/52/62/539955262.db2.gz JVCPXLUFQQYREN-MNOVXSKESA-N 1 0 309.797 2.422 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(F)ccc2F)CC[N@@H+]1C ZINC000173277071 198205841 /nfs/dbraw/zinc/20/58/41/198205841.db2.gz VZKGIGHGKKBEQE-JQWIXIFHSA-N 1 0 318.389 2.068 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000174112978 198292694 /nfs/dbraw/zinc/29/26/94/198292694.db2.gz RNWFDOSZCIKUOW-TZMCWYRMSA-N 1 0 319.405 2.404 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccnc2OC)[C@H](C)C1 ZINC000174362753 198324292 /nfs/dbraw/zinc/32/42/92/198324292.db2.gz HOSBPJUIZOTRJI-TZMCWYRMSA-N 1 0 306.410 2.284 10 0 DEAERO CC(C)[C@@H](C)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000174513539 198344232 /nfs/dbraw/zinc/34/42/32/198344232.db2.gz YVZIFLWWBZVQMN-OAHLLOKOSA-N 1 0 303.450 2.208 10 0 DEAERO CSc1nc(C2CC2)nc(C)c1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000174583942 198355248 /nfs/dbraw/zinc/35/52/48/198355248.db2.gz SJNXBIWRKYNAFA-LBPRGKRZSA-N 1 0 320.462 2.160 10 0 DEAERO Cc1ccc([C@H](O)C[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000174781209 198384349 /nfs/dbraw/zinc/38/43/49/198384349.db2.gz 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O=C(c1ccccc1)n1c2ccccc2nc1N1CC[NH2+]CC1 ZINC000116320416 355773694 /nfs/dbraw/zinc/77/36/94/355773694.db2.gz FTYYNQMJNNYUIZ-UHFFFAOYSA-N 1 0 306.369 2.134 10 0 DEAERO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)C1CCOCC1 ZINC000179839682 356035212 /nfs/dbraw/zinc/03/52/12/356035212.db2.gz FXHXGVQWRIAWQZ-CYBMUJFWSA-N 1 0 300.406 2.387 10 0 DEAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000179205844 356018097 /nfs/dbraw/zinc/01/80/97/356018097.db2.gz SJFLRVFKVQPPKO-IHRRRGAJSA-N 1 0 315.421 2.221 10 0 DEAERO CC[C@H](COC)[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000079743188 191968238 /nfs/dbraw/zinc/96/82/38/191968238.db2.gz RUIWIVCPYOQIHD-CHWSQXEVSA-N 1 0 301.814 2.403 10 0 DEAERO COc1ccc(CC[NH2+][C@@H]2CCCS(=O)(=O)C2)c(Cl)c1 ZINC000183123024 356160520 /nfs/dbraw/zinc/16/05/20/356160520.db2.gz BVXYWVRPUNLYMH-GFCCVEGCSA-N 1 0 317.838 2.058 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)NCC2(C)CC[NH2+]CC2)s1 ZINC000183369213 356170458 /nfs/dbraw/zinc/17/04/58/356170458.db2.gz KPDKGRGWMPCZQL-NSHDSACASA-N 1 0 311.451 2.278 10 0 DEAERO CC(C)(C)OC(=O)C1CCC([NH2+]CCCn2ccnn2)CC1 ZINC000184246168 356188728 /nfs/dbraw/zinc/18/87/28/356188728.db2.gz YIBIOSFFRATZCC-UHFFFAOYSA-N 1 0 308.426 2.158 10 0 DEAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000195118259 356249907 /nfs/dbraw/zinc/24/99/07/356249907.db2.gz NWNNRUZPYIBNQL-CYBMUJFWSA-N 1 0 305.447 2.174 10 0 DEAERO CC(C)C[NH+]1CCN(Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000195514065 356255268 /nfs/dbraw/zinc/25/52/68/356255268.db2.gz RNELRNFHWBBFTL-UHFFFAOYSA-N 1 0 313.449 2.256 10 0 DEAERO CC[NH2+][C@H](C)c1csc(N(CCOC)[C@@H](C)COC)n1 ZINC000080829002 192194535 /nfs/dbraw/zinc/19/45/35/192194535.db2.gz AMPLILGPTPQCGE-NWDGAFQWSA-N 1 0 301.456 2.301 10 0 DEAERO C[C@@H](O)CCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000227713291 356280170 /nfs/dbraw/zinc/28/01/70/356280170.db2.gz JEZKYQSDFISOIY-GHMZBOCLSA-N 1 0 322.232 2.484 10 0 DEAERO [NH3+][C@@H]1CCN(c2ccc(I)cc2Cl)C1 ZINC000232140905 356285018 /nfs/dbraw/zinc/28/50/18/356285018.db2.gz PHRWZPZBLRGWMJ-MRVPVSSYSA-N 1 0 322.577 2.482 10 0 DEAERO C[NH2+][C@H](C)c1csc(N2CCN(CC(F)(F)F)CC2)n1 ZINC000080849778 192195672 /nfs/dbraw/zinc/19/56/72/192195672.db2.gz GCADNPKFTXJLBN-SECBINFHSA-N 1 0 308.373 2.108 10 0 DEAERO COC[C@@H]1CCN([C@@H](C[NH3+])c2cc(Br)cs2)C1 ZINC000081041553 192218575 /nfs/dbraw/zinc/21/85/75/192218575.db2.gz ASJOMXQCUAEZKK-KOLCDFICSA-N 1 0 319.268 2.479 10 0 DEAERO Cc1noc(CC[NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000400694666 283158242 /nfs/dbraw/zinc/15/82/42/283158242.db2.gz IZGJJZTXDBAJEP-DGCLKSJQSA-N 1 0 324.425 2.156 10 0 DEAERO C[C@H]([NH2+]CCc1ccn(C)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400341762 283156017 /nfs/dbraw/zinc/15/60/17/283156017.db2.gz GXTAXDVGGAWWKG-UONOGXRCSA-N 1 0 322.453 2.198 10 0 DEAERO [NH3+]C[C@@H]1CCO[C@H]1c1ccc(I)cc1 ZINC000306209785 356402916 /nfs/dbraw/zinc/40/29/16/356402916.db2.gz IKALTLLNLJNROU-ONGXEEELSA-N 1 0 303.143 2.328 10 0 DEAERO O[C@H](C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O)C1CCCCC1 ZINC000408043320 283165786 /nfs/dbraw/zinc/16/57/86/283165786.db2.gz JVZNYNCJXJECAX-BSDSXHPESA-N 1 0 311.466 2.180 10 0 DEAERO Clc1snnc1CN(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328605222 356459702 /nfs/dbraw/zinc/45/97/02/356459702.db2.gz MNXGGFWWLGSCON-GFCCVEGCSA-N 1 0 323.853 2.198 10 0 DEAERO O=C(NC1CC1)c1noc([C@H]2CCC[N@@H+]2C[C@H]2CC=CCC2)n1 ZINC000328623211 356463120 /nfs/dbraw/zinc/46/31/20/356463120.db2.gz BSSTXILGNBFAIW-GXTWGEPZSA-N 1 0 316.405 2.455 10 0 DEAERO Cc1noc(C)c1C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000328636670 356464993 /nfs/dbraw/zinc/46/49/93/356464993.db2.gz OEOLLGPYFSLHJC-STQMWFEESA-N 1 0 324.425 2.450 10 0 DEAERO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000081623679 192303680 /nfs/dbraw/zinc/30/36/80/192303680.db2.gz ATWOIOKDMGFMSR-CABCVRRESA-N 1 0 308.447 2.392 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)[C@H]2CCCn3ccnc32)CC1 ZINC000081713562 192316033 /nfs/dbraw/zinc/31/60/33/192316033.db2.gz TYPKIQHBZUSGQM-HNNXBMFYSA-N 1 0 304.438 2.141 10 0 DEAERO COCC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000081714839 192316471 /nfs/dbraw/zinc/31/64/71/192316471.db2.gz WGYHJDXIDUGOEN-OLZOCXBDSA-N 1 0 301.814 2.403 10 0 DEAERO CC1(C)C[NH2+][C@@H](C2CCCCC2)CN1CCCS(C)(=O)=O ZINC000085531019 192514076 /nfs/dbraw/zinc/51/40/76/192514076.db2.gz VYUWLXKMNGDBIU-OAHLLOKOSA-N 1 0 316.511 2.054 10 0 DEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCc1cc(OC)ccc1OC ZINC000236924874 202074239 /nfs/dbraw/zinc/07/42/39/202074239.db2.gz QQPDBVQJBZEMCF-WBMJQRKESA-N 1 0 308.422 2.126 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@]1([NH3+])CCOC1 ZINC000085877800 192537663 /nfs/dbraw/zinc/53/76/63/192537663.db2.gz VEZSNIMTQJTZAY-CYBMUJFWSA-N 1 0 303.189 2.070 10 0 DEAERO CCOc1ccccc1OCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236963401 202098069 /nfs/dbraw/zinc/09/80/69/202098069.db2.gz ZXZWAVXQUUHUQW-YIONKMFJSA-N 1 0 318.417 2.206 10 0 DEAERO CN1CCO[C@@H](C[N@H+](C)Cc2cc(Br)cs2)C1 ZINC000404143184 356731433 /nfs/dbraw/zinc/73/14/33/356731433.db2.gz JKCUEVWZXUQGHY-LLVKDONJSA-N 1 0 319.268 2.273 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccc(OCC(F)(F)F)cn1 ZINC000578480777 356822586 /nfs/dbraw/zinc/82/25/86/356822586.db2.gz WLWAAWDYSISHKF-UHFFFAOYSA-N 1 0 319.327 2.046 10 0 DEAERO CC[C@@]1(C)C[NH2+][C@@H](C(C)(C)C)CN1CCCS(=O)(=O)CC ZINC000086982411 192606911 /nfs/dbraw/zinc/60/69/11/192606911.db2.gz XNJGXWKMEIGZQZ-ZBFHGGJFSA-N 1 0 318.527 2.300 10 0 DEAERO CCC[C@H]1CN(CCCS(=O)(=O)CC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000086982224 192607144 /nfs/dbraw/zinc/60/71/44/192607144.db2.gz LYFOFLGZLCXNHX-JKSUJKDBSA-N 1 0 316.511 2.054 10 0 DEAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000579785307 357029079 /nfs/dbraw/zinc/02/90/79/357029079.db2.gz VBZWMBJUTQUFDO-RBSFLKMASA-N 1 0 318.417 2.206 10 0 DEAERO CCCN(CCC)S(=O)(=O)c1cc(C[NH2+]C)n(CC)c1 ZINC000088914761 192654241 /nfs/dbraw/zinc/65/42/41/192654241.db2.gz YZGITGTZCQNFCY-UHFFFAOYSA-N 1 0 301.456 2.038 10 0 DEAERO CCCN(C(C)C)S(=O)(=O)c1ccc(OC)cc1CC[NH3+] ZINC000088945219 192664641 /nfs/dbraw/zinc/66/46/41/192664641.db2.gz XUJPTSADPLOSND-UHFFFAOYSA-N 1 0 314.451 2.006 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CC)nc1 ZINC000088973170 192676174 /nfs/dbraw/zinc/67/61/74/192676174.db2.gz XMWBRNLCPDDWCD-AWEZNQCLSA-N 1 0 311.451 2.144 10 0 DEAERO CCCC[C@@H](COC)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000077624667 535357185 /nfs/dbraw/zinc/35/71/85/535357185.db2.gz FFYVXPVAYMEOSB-HNNXBMFYSA-N 1 0 311.470 2.461 10 0 DEAERO CC(C)[NH2+]Cc1ccc(CS(=O)(=O)N2CC[C@H](C)C2)cc1 ZINC000088987019 192682096 /nfs/dbraw/zinc/68/20/96/192682096.db2.gz RSHYWXDKTAROBZ-AWEZNQCLSA-N 1 0 310.463 2.356 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)C1 ZINC000586764076 357367156 /nfs/dbraw/zinc/36/71/56/357367156.db2.gz YFFKXUWGNFYXQL-HUUCEWRRSA-N 1 0 316.445 2.401 10 0 DEAERO CC1CCC(N(C)S(=O)(=O)c2ccsc2C[NH3+])CC1 ZINC000088993937 192686674 /nfs/dbraw/zinc/68/66/74/192686674.db2.gz JRHNHCJVRBUWJA-UHFFFAOYSA-N 1 0 302.465 2.406 10 0 DEAERO CCCCC[C@H](C)NS(=O)(=O)c1ccc(OCC[NH3+])cc1 ZINC000088997804 192688240 /nfs/dbraw/zinc/68/82/40/192688240.db2.gz SGBBPKVNBYTZLY-ZDUSSCGKSA-N 1 0 314.451 2.271 10 0 DEAERO O[C@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000590599667 357563725 /nfs/dbraw/zinc/56/37/25/357563725.db2.gz CJVXTLYOEIWOKT-HOCLYGCPSA-N 1 0 319.401 2.420 10 0 DEAERO CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCNC2=O)cc1OC ZINC000179063135 198976191 /nfs/dbraw/zinc/97/61/91/198976191.db2.gz DRUVGQKGNVUSLZ-TZMCWYRMSA-N 1 0 306.406 2.413 10 0 DEAERO O[C@@H](CNc1ncc(C(F)(F)F)s1)C[NH+]1CCCCC1 ZINC000276745314 213081606 /nfs/dbraw/zinc/08/16/06/213081606.db2.gz GZGSVNPMVABZAC-VIFPVBQESA-N 1 0 309.357 2.421 10 0 DEAERO COc1cc(F)cc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000179465063 199040064 /nfs/dbraw/zinc/04/00/64/199040064.db2.gz SOMMWAUHKMPQPM-WBMJQRKESA-N 1 0 323.412 2.362 10 0 DEAERO CC[C@](C)(CCO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179482814 199043475 /nfs/dbraw/zinc/04/34/75/199043475.db2.gz MGLVBVYXUSSTMC-JFIYKMOQSA-N 1 0 319.449 2.282 10 0 DEAERO CCC1(CO)CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000179507405 199047523 /nfs/dbraw/zinc/04/75/23/199047523.db2.gz XYWPHXIFYIYZKU-KRWDZBQOSA-N 1 0 307.434 2.049 10 0 DEAERO COC(=O)c1coc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000184908589 199780111 /nfs/dbraw/zinc/78/01/11/199780111.db2.gz NLXQOYLRVNTEAH-CYBMUJFWSA-N 1 0 310.394 2.162 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)C1 ZINC000180163232 199125350 /nfs/dbraw/zinc/12/53/50/199125350.db2.gz SAIWXFKHPVVGOA-JTQLQIEISA-N 1 0 302.296 2.361 10 0 DEAERO CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000593910144 358169074 /nfs/dbraw/zinc/16/90/74/358169074.db2.gz RPPUFHNUSMEEGA-GWOFURMSSA-N 1 0 310.385 2.175 10 0 DEAERO O=C(c1ccc(C(F)(F)F)cc1O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180449044 199160405 /nfs/dbraw/zinc/16/04/05/199160405.db2.gz GBBPCYZUYJWVTC-LLVKDONJSA-N 1 0 314.307 2.331 10 0 DEAERO CCC[NH2+]C[C@@H](C)S(=O)(=O)N1CCC(C(C)(C)C)CC1 ZINC000089021568 192702264 /nfs/dbraw/zinc/70/22/64/192702264.db2.gz JSYKPELEPFDFHV-CYBMUJFWSA-N 1 0 304.500 2.462 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cccc2c1OCO2 ZINC000261698335 283416705 /nfs/dbraw/zinc/41/67/05/283416705.db2.gz DORXFDOPPXSQHI-QOARYFPJSA-N 1 0 302.374 2.051 10 0 DEAERO CC[NH2+][C@@H](CCCOC)Cc1c(Br)c(C)nn1C ZINC000089251926 192751094 /nfs/dbraw/zinc/75/10/94/192751094.db2.gz IRPDIABHSOWSCS-NSHDSACASA-N 1 0 318.259 2.438 10 0 DEAERO CCn1nc(C)c(Br)c1CC1(C[NH3+])CCOCC1 ZINC000089301456 192762086 /nfs/dbraw/zinc/76/20/86/192762086.db2.gz JIEIXAQOALOIBV-UHFFFAOYSA-N 1 0 316.243 2.272 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH2+]C)[C@H]2CCCO2)c1Br ZINC000089329026 192768530 /nfs/dbraw/zinc/76/85/30/192768530.db2.gz DBBOZQOAARAGPW-ZYHUDNBSSA-N 1 0 316.243 2.055 10 0 DEAERO CC1CCC([C@@H](C[NH3+])N2CCN(CC(F)(F)F)CC2)CC1 ZINC000089576240 192820582 /nfs/dbraw/zinc/82/05/82/192820582.db2.gz NKDFQQPBEMSKNF-JXQTWKCFSA-N 1 0 307.404 2.320 10 0 DEAERO CCOc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)c1O ZINC000186787312 200010420 /nfs/dbraw/zinc/01/04/20/200010420.db2.gz DDBFZKNUVAIITR-GFCCVEGCSA-N 1 0 324.808 2.365 10 0 DEAERO CC[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1cccs1 ZINC000187002665 200046200 /nfs/dbraw/zinc/04/62/00/200046200.db2.gz FGPZWAQJZNBZLW-ZDUSSCGKSA-N 1 0 311.451 2.221 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)c2ccncc2OC)C1 ZINC000187198686 200076584 /nfs/dbraw/zinc/07/65/84/200076584.db2.gz BEZLUBWXMFCBCI-KBPBESRZSA-N 1 0 320.437 2.277 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(OC2COC2)cc1 ZINC000187204724 200076856 /nfs/dbraw/zinc/07/68/56/200076856.db2.gz RSYSSUHFGDYZFF-ZDUSSCGKSA-N 1 0 321.421 2.316 10 0 DEAERO CO[C@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC000187325313 200095502 /nfs/dbraw/zinc/09/55/02/200095502.db2.gz LBIWLTLMERWLGD-PBHICJAKSA-N 1 0 319.449 2.315 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccncc2OC)C1 ZINC000187506239 200121493 /nfs/dbraw/zinc/12/14/93/200121493.db2.gz KTDXKQUVAYAION-UONOGXRCSA-N 1 0 320.437 2.134 10 0 DEAERO Cc1ccc(CNC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)cc1 ZINC000187915797 200176092 /nfs/dbraw/zinc/17/60/92/200176092.db2.gz GETFXUVBAZIEMU-YJBOKZPZSA-N 1 0 304.434 2.094 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccncc2C)[C@H](C)C1 ZINC000188272322 200220340 /nfs/dbraw/zinc/22/03/40/200220340.db2.gz KVVCRDCTVGRPAA-ZBFHGGJFSA-N 1 0 304.438 2.262 10 0 DEAERO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188301394 200224662 /nfs/dbraw/zinc/22/46/62/200224662.db2.gz XOMPNCVTFFXXHQ-SECBINFHSA-N 1 0 320.343 2.167 10 0 DEAERO COc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000604161803 360887666 /nfs/dbraw/zinc/88/76/66/360887666.db2.gz NFCNOKQFVHKMJL-AAEUAGOBSA-N 1 0 321.396 2.431 10 0 DEAERO C[C@H](C(=O)NCc1cn2c(n1)CCCC2)[NH+]1CCCCCC1 ZINC000603819760 360861360 /nfs/dbraw/zinc/86/13/60/360861360.db2.gz VEEAVLBSUZHKMU-CQSZACIVSA-N 1 0 304.438 2.100 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)[nH]c2C)[C@@H](C)C1 ZINC000604295851 360895153 /nfs/dbraw/zinc/89/51/53/360895153.db2.gz ODOAONBLPGPTFR-GUYCJALGSA-N 1 0 321.465 2.498 10 0 DEAERO Cc1nnc(CN2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)[nH]1 ZINC000605422495 360968048 /nfs/dbraw/zinc/96/80/48/360968048.db2.gz FPAPACAWHDAJGN-HNNXBMFYSA-N 1 0 313.449 2.252 10 0 DEAERO CCOCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000275918496 212581632 /nfs/dbraw/zinc/58/16/32/212581632.db2.gz JTKJGQDREQAOFV-QGZVFWFLSA-N 1 0 319.449 2.321 10 0 DEAERO C[NH+](C)CCn1cc(NC(=O)c2cnc3ccsc3c2)cn1 ZINC000607821392 361114055 /nfs/dbraw/zinc/11/40/55/361114055.db2.gz ZJFXDKJBWFMVFI-UHFFFAOYSA-N 1 0 315.402 2.307 10 0 DEAERO COc1ccccc1CN(C[C@H]1CCCO1)C(=O)CC[C@H](C)[NH3+] ZINC000193201010 201005465 /nfs/dbraw/zinc/00/54/65/201005465.db2.gz VCBSLEAPUIBBCM-GOEBONIOSA-N 1 0 320.433 2.330 10 0 DEAERO CS[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000610044037 361354325 /nfs/dbraw/zinc/35/43/25/361354325.db2.gz KUJSZQWVIMRJEL-OAHLLOKOSA-N 1 0 318.446 2.488 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000610763960 361463160 /nfs/dbraw/zinc/46/31/60/361463160.db2.gz UZXLMCZDCWXEAU-LSDHHAIUSA-N 1 0 324.465 2.441 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000194147793 201186676 /nfs/dbraw/zinc/18/66/76/201186676.db2.gz DEZAPJLYYYMICZ-OAHLLOKOSA-N 1 0 317.433 2.151 10 0 DEAERO OCCOc1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194055184 201172370 /nfs/dbraw/zinc/17/23/70/201172370.db2.gz GKUMHHGDZZBOTF-HYVNUMGLSA-N 1 0 303.402 2.105 10 0 DEAERO Cc1ncn(CCCC[NH2+]C(C)C)c(=O)c1Br ZINC000090767481 192931873 /nfs/dbraw/zinc/93/18/73/192931873.db2.gz BVQDVTCFDJOSSA-UHFFFAOYSA-N 1 0 302.216 2.092 10 0 DEAERO [NH3+][C@@H]1Cc2ccccc2[C@@H]1Nc1ncncc1Br ZINC000090783174 192933300 /nfs/dbraw/zinc/93/33/00/192933300.db2.gz PKOHNIUGHCYTQT-NEPJUHHUSA-N 1 0 305.179 2.276 10 0 DEAERO CCOC(=O)[C@@H](CC)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195292751 201374345 /nfs/dbraw/zinc/37/43/45/201374345.db2.gz SITDGDGMLQEAAH-IAGOWNOFSA-N 1 0 319.449 2.177 10 0 DEAERO CCCCOC(=O)CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195296936 201375380 /nfs/dbraw/zinc/37/53/80/201375380.db2.gz PDBKXJCTVYNMPE-KRWDZBQOSA-N 1 0 319.449 2.179 10 0 DEAERO CC(=O)c1cccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000620971978 364217893 /nfs/dbraw/zinc/21/78/93/364217893.db2.gz UIFVPNQWWZYMFM-KRWDZBQOSA-N 1 0 318.417 2.072 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)COc1ccccc1Cl ZINC000246969210 202632769 /nfs/dbraw/zinc/63/27/69/202632769.db2.gz DOBKBUQQJJOQFT-RBSFLKMASA-N 1 0 324.852 2.248 10 0 DEAERO c1cc(C[NH2+]CCN2CC=CCC2)n(CCc2ccccc2)n1 ZINC000621350613 364364418 /nfs/dbraw/zinc/36/44/18/364364418.db2.gz NSYLNZVNIJFEQP-UHFFFAOYSA-N 1 0 310.445 2.477 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000247549129 202682079 /nfs/dbraw/zinc/68/20/79/202682079.db2.gz ZDVAUIUAIZVQGZ-FPMFFAJLSA-N 1 0 308.372 2.478 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)CC[C@H]2CCC[NH2+]C2)c1 ZINC000621638074 364483898 /nfs/dbraw/zinc/48/38/98/364483898.db2.gz MOTDNJCYESZBAZ-CQSZACIVSA-N 1 0 303.406 2.388 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](C/C=C\c2ccccc2)CC12COC2 ZINC000449361249 240392862 /nfs/dbraw/zinc/39/28/62/240392862.db2.gz JAJOTASDOPTNGN-CXOKCQFOSA-N 1 0 301.386 2.211 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C)c(F)c2)CC12COC2 ZINC000449356678 240396826 /nfs/dbraw/zinc/39/68/26/240396826.db2.gz CJEWPQCWRODNAI-AWEZNQCLSA-N 1 0 307.365 2.146 10 0 DEAERO OCCN1CCC[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623406830 365019231 /nfs/dbraw/zinc/01/92/31/365019231.db2.gz LNEFXYKIDMVHMZ-NSHDSACASA-N 1 0 308.369 2.313 10 0 DEAERO CCOC[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623429274 365028355 /nfs/dbraw/zinc/02/83/55/365028355.db2.gz VULUTOFSVYNIRX-VIFPVBQESA-N 1 0 324.165 2.214 10 0 DEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000623765048 365166222 /nfs/dbraw/zinc/16/62/22/365166222.db2.gz NAJHECJGHIZNCR-NWDGAFQWSA-N 1 0 320.614 2.342 10 0 DEAERO COc1ccccc1[C@@H](C)N(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091136082 193002161 /nfs/dbraw/zinc/00/21/61/193002161.db2.gz WUCUPCYSYPIWGI-CHWSQXEVSA-N 1 0 308.447 2.310 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(Br)s1 ZINC000623713382 365142141 /nfs/dbraw/zinc/14/21/41/365142141.db2.gz ZNTYHROHAZZTRH-VHSXEESVSA-N 1 0 319.268 2.492 10 0 DEAERO Fc1ccc(N2CCN(CC[C@H]3CSCC[NH2+]3)CC2)cc1 ZINC000091291976 193032622 /nfs/dbraw/zinc/03/26/22/193032622.db2.gz FFEHUOICRYDXGZ-HNNXBMFYSA-N 1 0 309.454 2.043 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@@H](O)c1cccc(F)c1 ZINC000091229927 193024100 /nfs/dbraw/zinc/02/41/00/193024100.db2.gz PIGGSQJIIUJAQZ-JKSUJKDBSA-N 1 0 310.413 2.342 10 0 DEAERO C[S@@](=O)CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000091341904 193043305 /nfs/dbraw/zinc/04/33/05/193043305.db2.gz UUBRPKCUEHAMGI-LRDDRELGSA-N 1 0 302.237 2.405 10 0 DEAERO Cc1nc(NC(=O)[C@@H](C[NH3+])C(C)C)ccc1Br ZINC000091507331 193067386 /nfs/dbraw/zinc/06/73/86/193067386.db2.gz HADABNCGNUYPGH-VIFPVBQESA-N 1 0 300.200 2.322 10 0 DEAERO CC[C@@](C)([C@@H](CCCS(C)(=O)=O)[NH2+]C)N1CCCCC1 ZINC000091609937 193079928 /nfs/dbraw/zinc/07/99/28/193079928.db2.gz VRQVXNLNWWKYJV-CABCVRRESA-N 1 0 304.500 2.054 10 0 DEAERO CC[C@](C)([C@H](O)Cc1c(Br)c(C)nn1C)[NH+](C)C ZINC000091569493 193074217 /nfs/dbraw/zinc/07/42/17/193074217.db2.gz ARJDBEGWPYODDW-DGCLKSJQSA-N 1 0 318.259 2.125 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(Br)cc1 ZINC000624171925 365318294 /nfs/dbraw/zinc/31/82/94/365318294.db2.gz FBONMXGHGXIUTL-SMDDNHRTSA-N 1 0 313.239 2.430 10 0 DEAERO C[NH+](C)[C@H]1CCCN(c2nc(Cl)ncc2Br)C1 ZINC000091659389 193085757 /nfs/dbraw/zinc/08/57/57/193085757.db2.gz ZKSHTPKWMWTJKS-QMMMGPOBSA-N 1 0 319.634 2.423 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1c1nc(Cl)ncc1Br ZINC000091658992 193086316 /nfs/dbraw/zinc/08/63/16/193086316.db2.gz UDFIVJDAXIDEMH-MRVPVSSYSA-N 1 0 319.634 2.423 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCc2nc(C3CC3)cs2)C1 ZINC000091706349 193094663 /nfs/dbraw/zinc/09/46/63/193094663.db2.gz NPUNZZJVIJSTFO-VXGBXAGGSA-N 1 0 308.451 2.302 10 0 DEAERO CC[NH+](CC)CC[C@@H](O)Cc1c(Br)c(C)nn1C ZINC000091714289 193096943 /nfs/dbraw/zinc/09/69/43/193096943.db2.gz NHFPNMWMBQPSPT-LLVKDONJSA-N 1 0 318.259 2.126 10 0 DEAERO C[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)[C@@H]1CN(C)CCO1 ZINC000091717750 193097207 /nfs/dbraw/zinc/09/72/07/193097207.db2.gz JWUSVPZPLNYOIW-KBPBESRZSA-N 1 0 303.233 2.455 10 0 DEAERO O=C(NCCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)C(F)(F)F ZINC000091620802 193080451 /nfs/dbraw/zinc/08/04/51/193080451.db2.gz MROMIKPMXBQYMU-LLVKDONJSA-N 1 0 304.316 2.005 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])C1(N2CCCCC2)CCCC1 ZINC000091641813 193083142 /nfs/dbraw/zinc/08/31/42/193083142.db2.gz SWJXHKNJDUPYEL-OAHLLOKOSA-N 1 0 316.511 2.327 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1cccc(F)c1 ZINC000091850562 193117972 /nfs/dbraw/zinc/11/79/72/193117972.db2.gz STZSQQCVONINNK-UHFFFAOYSA-N 1 0 300.399 2.106 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)sc1Cl ZINC000624405066 365411696 /nfs/dbraw/zinc/41/16/96/365411696.db2.gz BEPQPXDKEFLUEA-IUCAKERBSA-N 1 0 308.856 2.129 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2cc(F)ccc2C)CC1 ZINC000091870001 193121074 /nfs/dbraw/zinc/12/10/74/193121074.db2.gz IUYDWKLCVVIXMJ-UHFFFAOYSA-N 1 0 314.426 2.285 10 0 DEAERO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000624407103 365413181 /nfs/dbraw/zinc/41/31/81/365413181.db2.gz SZMTYYZWCSFHJP-DTWKUNHWSA-N 1 0 323.245 2.412 10 0 DEAERO Cc1cc(C)n2c(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cnc2n1 ZINC000092043349 193146477 /nfs/dbraw/zinc/14/64/77/193146477.db2.gz ARVZAZJLPXQQJE-NVXWUHKLSA-N 1 0 313.449 2.262 10 0 DEAERO CS[C@@H]1CN(Cc2nnc(C(C)C)s2)C[C@H]1[NH+](C)C ZINC000450636352 242044756 /nfs/dbraw/zinc/04/47/56/242044756.db2.gz MPKQHKBNTIKDGH-GHMZBOCLSA-N 1 0 300.497 2.139 10 0 DEAERO CO[C@H]1CN(Cc2ccc(Br)s2)[C@](C)(C[NH3+])C1 ZINC000630366570 367613805 /nfs/dbraw/zinc/61/38/05/367613805.db2.gz XYTJATZUKLBEQT-SKDRFNHKSA-N 1 0 319.268 2.449 10 0 DEAERO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000450897483 242367946 /nfs/dbraw/zinc/36/79/46/242367946.db2.gz QALPZPQXIYAXCV-SUMDDJOVSA-N 1 0 319.445 2.421 10 0 DEAERO c1nc2nc(-c3ccccc3)cc(N[C@H]3CC[NH2+]C34CCC4)n2n1 ZINC000630524968 367706017 /nfs/dbraw/zinc/70/60/17/367706017.db2.gz XJTJENOQEYCEAF-HNNXBMFYSA-N 1 0 320.400 2.488 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cn1C(C)C ZINC000092113920 193161228 /nfs/dbraw/zinc/16/12/28/193161228.db2.gz KWXAATXKECGGAJ-STQMWFEESA-N 1 0 313.467 2.065 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)c(F)c1 ZINC000092115543 193163140 /nfs/dbraw/zinc/16/31/40/193163140.db2.gz NWLCIWOAQQGGLK-UHFFFAOYSA-N 1 0 314.426 2.500 10 0 DEAERO CC(C)[C@@H]1CCCN1S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116285 193164172 /nfs/dbraw/zinc/16/41/72/193164172.db2.gz CFRJWCHAVPFBBT-ZDUSSCGKSA-N 1 0 300.399 2.094 10 0 DEAERO C[NH2+]C[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000092136231 193166949 /nfs/dbraw/zinc/16/69/49/193166949.db2.gz OIZNCYJOTZJSCI-SECBINFHSA-N 1 0 310.419 2.208 10 0 DEAERO c1c(C[NH2+]CCSc2ccccc2)nnn1C[C@H]1CCOC1 ZINC000631035873 367980792 /nfs/dbraw/zinc/98/07/92/367980792.db2.gz XSSJDBOTNJSYJY-CQSZACIVSA-N 1 0 318.446 2.197 10 0 DEAERO c1cc(C[NH2+]CCCOC[C@H]2CCCO2)n(CC2CCC2)n1 ZINC000631037553 367982793 /nfs/dbraw/zinc/98/27/93/367982793.db2.gz UOHODOKCHDCFGP-QGZVFWFLSA-N 1 0 307.438 2.359 10 0 DEAERO c1c(C[NH2+]C(C2CCC2)C2CCC2)nnn1C[C@@H]1CCOC1 ZINC000631136192 368037718 /nfs/dbraw/zinc/03/77/18/368037718.db2.gz SLCPJGPAYHLMLE-ZDUSSCGKSA-N 1 0 304.438 2.373 10 0 DEAERO c1c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)nnn1C[C@H]1CCOC1 ZINC000631080226 368005766 /nfs/dbraw/zinc/00/57/66/368005766.db2.gz XXFASAQEVWGJGI-QKPAOTATSA-N 1 0 304.438 2.373 10 0 DEAERO c1ccc(OCC2CC2)c(C[NH2+]C2CN(c3ccncn3)C2)c1 ZINC000631257842 368106802 /nfs/dbraw/zinc/10/68/02/368106802.db2.gz GCTXQLXJSCJSKJ-UHFFFAOYSA-N 1 0 310.401 2.244 10 0 DEAERO O[C@H](CC[NH2+]Cc1ncc(Br)s1)C(F)F ZINC000631217484 368085339 /nfs/dbraw/zinc/08/53/39/368085339.db2.gz XCMOZDXTYHQJTD-RXMQYKEDSA-N 1 0 301.156 2.011 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CC[C@H](O)C(F)F)c2ccccc2C1 ZINC000631705224 368351320 /nfs/dbraw/zinc/35/13/20/368351320.db2.gz ZIUUSQIEKAKZAB-GJZGRUSLSA-N 1 0 312.360 2.086 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)c2ccccc2C1 ZINC000631705225 368351473 /nfs/dbraw/zinc/35/14/73/368351473.db2.gz ZIUUSQIEKAKZAB-HUUCEWRRSA-N 1 0 312.360 2.086 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CC[C@@H](O)C(F)F)c2ccccc2C1 ZINC000631705226 368351672 /nfs/dbraw/zinc/35/16/72/368351672.db2.gz ZIUUSQIEKAKZAB-LSDHHAIUSA-N 1 0 312.360 2.086 10 0 DEAERO c1cc(-c2noc(CN3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cs1 ZINC000631886693 368443758 /nfs/dbraw/zinc/44/37/58/368443758.db2.gz LGRLRTWGACNOGZ-YPMHNXCESA-N 1 0 304.419 2.372 10 0 DEAERO C(c1nnc(C2CC2)n1C1CC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889574 368444886 /nfs/dbraw/zinc/44/48/86/368444886.db2.gz HOMDLBIBAOGSLY-HIFRSBDPSA-N 1 0 301.438 2.064 10 0 DEAERO [NH3+][C@@H]1CCCCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000631960467 368468298 /nfs/dbraw/zinc/46/82/98/368468298.db2.gz PQZXRZRBUCNCQG-GFCCVEGCSA-N 1 0 302.827 2.232 10 0 DEAERO [NH3+]CC1(NS(=O)(=O)c2cc(F)ccc2Cl)CCCCC1 ZINC000631980034 368478859 /nfs/dbraw/zinc/47/88/59/368478859.db2.gz SAOKSDZPMLGUHA-UHFFFAOYSA-N 1 0 320.817 2.419 10 0 DEAERO C[NH2+]C[C@H](CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000092270506 193183904 /nfs/dbraw/zinc/18/39/04/193183904.db2.gz HWIYPVFEDQMMRA-KBPBESRZSA-N 1 0 313.488 2.439 10 0 DEAERO [NH3+]C[C@H](C[C@H]1Cc2ccccc2S1)[C@@H]1CCS(=O)(=O)C1 ZINC000092270407 193183984 /nfs/dbraw/zinc/18/39/84/193183984.db2.gz SBZRRBOVBVWWGI-HZSPNIEDSA-N 1 0 311.472 2.103 10 0 DEAERO O=C(N[C@@H]1CCOc2ccccc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173373489 284083795 /nfs/dbraw/zinc/08/37/95/284083795.db2.gz APSPGQNMZQBAHC-GOEBONIOSA-N 1 0 313.401 2.166 10 0 DEAERO CCS(=O)(=O)CC[C@H](C[NH3+])c1cccc(Br)c1 ZINC000093167308 193209524 /nfs/dbraw/zinc/20/95/24/193209524.db2.gz GHABBWSQZINCIU-LLVKDONJSA-N 1 0 320.252 2.316 10 0 DEAERO COCC[NH2+]C[C@H](Cc1ncnn1C)c1ccccc1Cl ZINC000093179629 193212273 /nfs/dbraw/zinc/21/22/73/193212273.db2.gz ZUVRNGYVGSELJH-LBPRGKRZSA-N 1 0 308.813 2.031 10 0 DEAERO COCCOCCC1(c2ccc(Br)cc2)C[NH2+]C1 ZINC000093197162 193214372 /nfs/dbraw/zinc/21/43/72/193214372.db2.gz LQGITPPXMJHBNA-UHFFFAOYSA-N 1 0 314.223 2.343 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1O[C@H]1CCC[C@@H]([NH3+])C1 ZINC000093220076 193218336 /nfs/dbraw/zinc/21/83/36/193218336.db2.gz ZBZWBZMRQVWDTC-ZJUUUORDSA-N 1 0 302.296 2.453 10 0 DEAERO CCC[NH2+][C@@H](Cc1c(Cl)c(C)nn1CC)C(OC)OC ZINC000093305611 193227751 /nfs/dbraw/zinc/22/77/51/193227751.db2.gz LJVXHTREFLNUOP-NSHDSACASA-N 1 0 303.834 2.394 10 0 DEAERO [NH2+]=C1NC[C@H](c2ccccc2Br)N1C[C@@H]1CCCO1 ZINC000093378124 193240344 /nfs/dbraw/zinc/24/03/44/193240344.db2.gz KXLXYILXEHBWHE-GXFFZTMASA-N 1 0 324.222 2.300 10 0 DEAERO C[C@@H](Cc1cccs1)N(C)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000093292151 193225310 /nfs/dbraw/zinc/22/53/10/193225310.db2.gz TVEDRMBTTSCVIJ-LBPRGKRZSA-N 1 0 324.471 2.459 10 0 DEAERO CN(CCc1cccs1)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000093294185 193226653 /nfs/dbraw/zinc/22/66/53/193226653.db2.gz BSSWWGVWZQBOBT-UHFFFAOYSA-N 1 0 310.810 2.397 10 0 DEAERO C[N@@H+]1CCC[C@@H]1CCOc1ncc(N)cc1Br ZINC000093433458 193250778 /nfs/dbraw/zinc/25/07/78/193250778.db2.gz ATTWXMHAPCJBHQ-SNVBAGLBSA-N 1 0 300.200 2.289 10 0 DEAERO COCCN1C(=[NH2+])NC[C@]1(C)c1ccc(Cl)cc1Cl ZINC000093380295 193240954 /nfs/dbraw/zinc/24/09/54/193240954.db2.gz GJRLSHJZYXVYIB-CYBMUJFWSA-N 1 0 302.205 2.485 10 0 DEAERO NC1=[NH+]C[C@H]([C@@H]2CCCOC2)N1c1cccc(Br)c1 ZINC000093387194 193241777 /nfs/dbraw/zinc/24/17/77/193241777.db2.gz WOSIZRIJQMBXHK-ZWNOBZJWSA-N 1 0 324.222 2.379 10 0 DEAERO NC1=[NH+]C[C@H]([C@@H]2CCOC2)N1c1cccc(Br)c1 ZINC000093387576 193242196 /nfs/dbraw/zinc/24/21/96/193242196.db2.gz AXTCNBLVKVDRRO-BXKDBHETSA-N 1 0 310.195 2.199 10 0 DEAERO CCOC(=O)[C@@]1([NH3+])CCC[C@H]1CCN(CC)CC(F)(F)F ZINC000093589848 193271002 /nfs/dbraw/zinc/27/10/02/193271002.db2.gz QVBPDBQIMGGPIJ-WCQYABFASA-N 1 0 310.360 2.321 10 0 DEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1nncs1 ZINC000093629382 193276051 /nfs/dbraw/zinc/27/60/51/193276051.db2.gz UBGXQSQOLYEPNS-GXFFZTMASA-N 1 0 314.480 2.043 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Br)c(C)nn1C)[C@@H](C)OC ZINC000093691094 193289811 /nfs/dbraw/zinc/28/98/11/193289811.db2.gz HMQKZKSERYAECV-ZJUUUORDSA-N 1 0 304.232 2.047 10 0 DEAERO CCC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H](C)CC ZINC000093700304 193294133 /nfs/dbraw/zinc/29/41/33/193294133.db2.gz ZNWDTIYLWLFRQA-SOUVJXGZSA-N 1 0 304.500 2.462 10 0 DEAERO CCc1ccc([C@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093699837 193294166 /nfs/dbraw/zinc/29/41/66/193294166.db2.gz YPMBZLWLBHNAAN-GOEBONIOSA-N 1 0 310.463 2.311 10 0 DEAERO CC[C@](C)(C[NH2+]C1CC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701557 193294716 /nfs/dbraw/zinc/29/47/16/193294716.db2.gz HNZDVHPCLVJDRA-HIFRSBDPSA-N 1 0 302.484 2.216 10 0 DEAERO CCOC(=O)[C@@]1(NC)CCC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756578 193302117 /nfs/dbraw/zinc/30/21/17/193302117.db2.gz RCSDVJSNLJLJBI-WCQYABFASA-N 1 0 310.360 2.335 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2ccc(F)c(F)c2)C1 ZINC000093776349 193304486 /nfs/dbraw/zinc/30/44/86/193304486.db2.gz IYAKIWBDSHPKGF-HZMBPMFUSA-N 1 0 300.374 2.443 10 0 DEAERO C[NH2+][C@H](Cc1cc(F)cc(Br)c1)[C@@H]1COCCO1 ZINC000094000198 193337491 /nfs/dbraw/zinc/33/74/91/193337491.db2.gz JFDSYRIQLYNDPH-OLZOCXBDSA-N 1 0 318.186 2.134 10 0 DEAERO CCOC(=O)[C@]1(N)CC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093831932 193314911 /nfs/dbraw/zinc/31/49/11/193314911.db2.gz FATSYPAJORRTNC-AAEUAGOBSA-N 1 0 308.344 2.074 10 0 DEAERO C[NH2+][C@@]1(CO)CC[C@@H](Oc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000093859630 193320419 /nfs/dbraw/zinc/32/04/19/193320419.db2.gz QSJHRDSQNXDNOE-UANNBLPKSA-N 1 0 311.250 2.264 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(C)ccc1F ZINC000093878142 193322500 /nfs/dbraw/zinc/32/25/00/193322500.db2.gz SKIYRQFTRIVDNG-UHFFFAOYSA-N 1 0 302.415 2.130 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)Cc1ccc(F)cc1 ZINC000093890997 193323900 /nfs/dbraw/zinc/32/39/00/193323900.db2.gz UNVCPFPSXIHBSZ-UHFFFAOYSA-N 1 0 316.442 2.352 10 0 DEAERO C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CN(C)CCN1C ZINC000093894519 193324502 /nfs/dbraw/zinc/32/45/02/193324502.db2.gz VSCMEPIDLAMXMM-KBPBESRZSA-N 1 0 302.249 2.500 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CN(C)CCN1C ZINC000093894931 193325261 /nfs/dbraw/zinc/32/52/61/193325261.db2.gz RSJFJFIUHZHMJJ-GJZGRUSLSA-N 1 0 316.276 2.370 10 0 DEAERO C[NH2+][C@H](Cc1c(Cl)cccc1Cl)[C@@H]1CN(C)CCN1C ZINC000093894844 193325292 /nfs/dbraw/zinc/32/52/92/193325292.db2.gz QOKTVIFXVJWRFI-CABCVRRESA-N 1 0 316.276 2.370 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(Cl)s1)[C@H]1CN(C)CCN1C ZINC000093895618 193325894 /nfs/dbraw/zinc/32/58/94/193325894.db2.gz XGDQPJFLRBZFIR-CHWSQXEVSA-N 1 0 301.887 2.168 10 0 DEAERO CC[NH2+][C@H](Cc1ccncc1Cl)[C@@H]1CN(C(C)C)CCO1 ZINC000093927575 193329680 /nfs/dbraw/zinc/32/96/80/193329680.db2.gz RFDFYICFPMLXFY-CVEARBPZSA-N 1 0 311.857 2.365 10 0 DEAERO CC(C)(C)c1csc(C[C@@H]([NH3+])C(C)(C)N2CCOCC2)n1 ZINC000094256855 193355253 /nfs/dbraw/zinc/35/52/53/193355253.db2.gz AWJKGXAFIRJIGL-GFCCVEGCSA-N 1 0 311.495 2.421 10 0 DEAERO CC(C)(C)c1csc(C[C@H](O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000094255596 193355404 /nfs/dbraw/zinc/35/54/04/193355404.db2.gz WOOHGQUCSIWGLN-FRRDWIJNSA-N 1 0 310.463 2.207 10 0 DEAERO CC1(C)CCCC[C@@]1([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000094279703 193355956 /nfs/dbraw/zinc/35/59/56/193355956.db2.gz DRTLLGMQOGPREV-DZGCQCFKSA-N 1 0 302.484 2.346 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(C)CCS(C)(=O)=O ZINC000094297313 193357225 /nfs/dbraw/zinc/35/72/25/193357225.db2.gz MDQQKFJOMJUFGX-CABZTGNLSA-N 1 0 324.899 2.156 10 0 DEAERO CC[NH2+][C@H](CCN(C)CCS(C)(=O)=O)c1cccc(C)c1 ZINC000094300303 193357432 /nfs/dbraw/zinc/35/74/32/193357432.db2.gz OCQKBIGLMHQEBS-MRXNPFEDSA-N 1 0 312.479 2.012 10 0 DEAERO CCC[NH2+][C@H]1[C@H](CN(C)CCS(C)(=O)=O)CCCC1(C)C ZINC000094300554 193358657 /nfs/dbraw/zinc/35/86/57/193358657.db2.gz RLYZCRAWSLZNAV-GJZGRUSLSA-N 1 0 318.527 2.157 10 0 DEAERO CN(C[C@@H]1CCCOC1)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334310 193360091 /nfs/dbraw/zinc/36/00/91/193360091.db2.gz FWYKXFVRIGLAOR-JTQLQIEISA-N 1 0 303.328 2.422 10 0 DEAERO C[C@@H]1CSCCN1c1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336762 193361084 /nfs/dbraw/zinc/36/10/84/193361084.db2.gz IBZFWNREHVSUBU-SSDOTTSWSA-N 1 0 304.341 2.326 10 0 DEAERO C[NH2+]Cc1cc(F)c(O[C@H](C)C(=O)NC(C)(C)C)c(F)c1 ZINC000094346418 193363348 /nfs/dbraw/zinc/36/33/48/193363348.db2.gz DAHXTIGHWNBDNL-SECBINFHSA-N 1 0 300.349 2.366 10 0 DEAERO COCC[NH2+]C[C@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000094053916 193341474 /nfs/dbraw/zinc/34/14/74/193341474.db2.gz JXEGREGGCNMTDB-LLVKDONJSA-N 1 0 301.793 2.327 10 0 DEAERO COCC[NH2+]CCOCCc1ccc(F)c(Br)c1 ZINC000094072682 193343087 /nfs/dbraw/zinc/34/30/87/193343087.db2.gz YHFYBEVOPXOPID-UHFFFAOYSA-N 1 0 320.202 2.383 10 0 DEAERO [NH3+]Cc1cccc(OCCS(=O)(=O)c2cccc(F)c2)c1 ZINC000094627288 193385413 /nfs/dbraw/zinc/38/54/13/193385413.db2.gz XGPMRWOUIFHNGI-UHFFFAOYSA-N 1 0 309.362 2.137 10 0 DEAERO CCC[NH2+][C@H](c1ccn(C)n1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642592 193388647 /nfs/dbraw/zinc/38/86/47/193388647.db2.gz PKEACHOWXMYBHN-IPYPFGDCSA-N 1 0 313.467 2.064 10 0 DEAERO C[C@H]([NH3+])Cc1cccc(O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000094643235 193389149 /nfs/dbraw/zinc/38/91/49/193389149.db2.gz YXQANMFLUYRPBE-MAZHCROVSA-N 1 0 311.447 2.311 10 0 DEAERO COCC[NH2+]CC/C=C(/C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094645283 193389526 /nfs/dbraw/zinc/38/95/26/193389526.db2.gz IEJADVYYWRSLJU-KERCULKWSA-N 1 0 303.468 2.162 10 0 DEAERO CC[NH2+]Cc1c(C)nn([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1C ZINC000094643983 193390046 /nfs/dbraw/zinc/39/00/46/193390046.db2.gz BRGCSZQZOQXFBE-ZIAGYGMSSA-N 1 0 313.467 2.138 10 0 DEAERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094368580 193366993 /nfs/dbraw/zinc/36/69/93/193366993.db2.gz OLMJMVYXRZTGTI-ZIAGYGMSSA-N 1 0 314.495 2.326 10 0 DEAERO CCn1c(C[C@H]([NH2+]C)[C@H]2CSCCO2)nc2ccccc21 ZINC000094503263 193374177 /nfs/dbraw/zinc/37/41/77/193374177.db2.gz XLJCNSMTMLCTEQ-DZGCQCFKSA-N 1 0 305.447 2.319 10 0 DEAERO CCc1nn(CC)c(C[C@@H]([NH2+]C)[C@@H]2CSCCO2)c1Cl ZINC000094503374 193374282 /nfs/dbraw/zinc/37/42/82/193374282.db2.gz JTZLOCKVTYYKIR-YPMHNXCESA-N 1 0 317.886 2.381 10 0 DEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)[C@H]1CSCCS1 ZINC000094498045 193374847 /nfs/dbraw/zinc/37/48/47/193374847.db2.gz ZTYQCVJKPKTQGD-NWDGAFQWSA-N 1 0 311.538 2.028 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(CC)s1)[C@H]1CN2CCN1CC2 ZINC000094510915 193375801 /nfs/dbraw/zinc/37/58/01/193375801.db2.gz AEZKNSVMOSYGHV-IAGOWNOFSA-N 1 0 307.507 2.221 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000094548613 193377905 /nfs/dbraw/zinc/37/79/05/193377905.db2.gz VIWKUXJODMVOTM-GXFFZTMASA-N 1 0 311.223 2.187 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)O1 ZINC000094569998 193380547 /nfs/dbraw/zinc/38/05/47/193380547.db2.gz RPGWDBJVIHCZGO-GZMMTYOYSA-N 1 0 306.259 2.289 10 0 DEAERO COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(C[NH3+])o1 ZINC000094565951 193381041 /nfs/dbraw/zinc/38/10/41/193381041.db2.gz SFWFCCHYMONCSY-UHFFFAOYSA-N 1 0 308.721 2.431 10 0 DEAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094573130 193381351 /nfs/dbraw/zinc/38/13/51/193381351.db2.gz QPMLGMSIKZZBSK-ZYHUDNBSSA-N 1 0 302.296 2.459 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cc(C(F)(F)F)ccc1N ZINC000094596257 193382539 /nfs/dbraw/zinc/38/25/39/193382539.db2.gz YCKDTZFBPLPSJE-UHFFFAOYSA-N 1 0 303.328 2.311 10 0 DEAERO CC(C)[N@H+](C)CCNc1nc2ccc(Br)cn2n1 ZINC000094605522 193383880 /nfs/dbraw/zinc/38/38/80/193383880.db2.gz SIAYOKZVIFFYCA-UHFFFAOYSA-N 1 0 312.215 2.244 10 0 DEAERO CC[N@@H+]1CCC[C@@H](Nc2nc3ccc(Br)cn3n2)C1 ZINC000094603784 193383917 /nfs/dbraw/zinc/38/39/17/193383917.db2.gz WDUZTTPLFNBVED-LLVKDONJSA-N 1 0 324.226 2.388 10 0 DEAERO C[N@@H+]1CCC[C@H](CNc2nc3c(Br)cccn3n2)C1 ZINC000094604859 193383937 /nfs/dbraw/zinc/38/39/37/193383937.db2.gz YZOBYUXAFQHYQV-SNVBAGLBSA-N 1 0 324.226 2.246 10 0 DEAERO C[N@@H+]1CCC[C@H](CNc2nc3ccc(Br)cn3n2)C1 ZINC000094604853 193383963 /nfs/dbraw/zinc/38/39/63/193383963.db2.gz OBMJHHOZMUNNBM-SNVBAGLBSA-N 1 0 324.226 2.246 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1c1nc2c(Br)cccn2n1 ZINC000094607927 193384388 /nfs/dbraw/zinc/38/43/88/193384388.db2.gz JCRIPRXFNPVEGL-SNVBAGLBSA-N 1 0 324.226 2.070 10 0 DEAERO [NH3+][C@@H]1CCCC[C@H]1Nc1nc2ccc(Br)cn2n1 ZINC000094607527 193384406 /nfs/dbraw/zinc/38/44/06/193384406.db2.gz HSQFSOSGZMYDRM-NXEZZACHSA-N 1 0 310.199 2.174 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCCN1c1nc2c(Br)cccn2n1 ZINC000094607996 193384562 /nfs/dbraw/zinc/38/45/62/193384562.db2.gz WERLKBXPUZCJJQ-ONGXEEELSA-N 1 0 324.226 2.198 10 0 DEAERO C[C@H]1CCC[C@@H](C[NH3+])N1c1nc2ccc(Br)cn2n1 ZINC000094608377 193384671 /nfs/dbraw/zinc/38/46/71/193384671.db2.gz UDJDIOMNEPZKPP-ONGXEEELSA-N 1 0 324.226 2.198 10 0 DEAERO Brc1cccn2nc(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)nc12 ZINC000094607568 193384718 /nfs/dbraw/zinc/38/47/18/193384718.db2.gz PYDVQPUMVADLRU-ULKQDVFKSA-N 1 0 322.210 2.187 10 0 DEAERO Cc1cscc1CNS(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000094887001 193405152 /nfs/dbraw/zinc/40/51/52/193405152.db2.gz MLTPIUBPWXBZEP-UHFFFAOYSA-N 1 0 310.444 2.135 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)c2ccsc2C[NH3+])C1 ZINC000094815086 193399796 /nfs/dbraw/zinc/39/97/96/193399796.db2.gz INEVOICPIRBPQB-UHFFFAOYSA-N 1 0 302.465 2.408 10 0 DEAERO O=C(N[C@H]1CCCc2occc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173950940 284189165 /nfs/dbraw/zinc/18/91/65/284189165.db2.gz GXKBNEOWEVVYRG-HIFRSBDPSA-N 1 0 301.390 2.313 10 0 DEAERO COC1([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2)CCOCC1 ZINC000453055021 244885912 /nfs/dbraw/zinc/88/59/12/244885912.db2.gz ILBOISYMBSMFHJ-AEFFLSMTSA-N 1 0 318.461 2.435 10 0 DEAERO CCOc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000151521250 196692529 /nfs/dbraw/zinc/69/25/29/196692529.db2.gz RXZTZEJUKCZQDZ-CQSZACIVSA-N 1 0 304.394 2.182 10 0 DEAERO Brc1sccc1C[NH2+]CCN1CCCOCC1 ZINC000529568061 284212399 /nfs/dbraw/zinc/21/23/99/284212399.db2.gz PYTCXCQOOXKYKZ-UHFFFAOYSA-N 1 0 319.268 2.323 10 0 DEAERO COC1([C@H](C)[NH2+][C@H](CO)Cc2ccccc2C)CCOCC1 ZINC000453221904 245001642 /nfs/dbraw/zinc/00/16/42/245001642.db2.gz NSXIMIGKHKZNHH-RDJZCZTQSA-N 1 0 307.434 2.072 10 0 DEAERO COC(=O)[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1F ZINC000246166615 284287798 /nfs/dbraw/zinc/28/77/98/284287798.db2.gz FBPHUIJPTLRWSV-DAXOMENPSA-N 1 0 308.397 2.358 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])CC[C@H](C)OC)c1Br ZINC000097240520 193696791 /nfs/dbraw/zinc/69/67/91/193696791.db2.gz SRHFXWUYWICJAE-UWVGGRQHSA-N 1 0 318.259 2.430 10 0 DEAERO CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C)C2 ZINC000530289635 284396512 /nfs/dbraw/zinc/39/65/12/284396512.db2.gz FKVROCGMKNQUAX-BFHYXJOUSA-N 1 0 318.465 2.189 10 0 DEAERO COc1ccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)c(OC)c1 ZINC000020027970 182180938 /nfs/dbraw/zinc/18/09/38/182180938.db2.gz UNQBSQWBESHHDI-CQSZACIVSA-N 1 0 300.358 2.212 10 0 DEAERO COc1ccc(C[NH3+])cc1S(=O)(=O)NC1CCCCCC1 ZINC000020189739 182195608 /nfs/dbraw/zinc/19/56/08/182195608.db2.gz LTEVEFLFMKMBST-UHFFFAOYSA-N 1 0 312.435 2.155 10 0 DEAERO O[C@H](C[NH2+]C1CC1)COc1cc(F)ccc1Br ZINC000160209985 197393006 /nfs/dbraw/zinc/39/30/06/197393006.db2.gz IKLNNSKBWXCCPA-SNVBAGLBSA-N 1 0 304.159 2.080 10 0 DEAERO CCCSC[C@@H]([NH3+])c1c(Br)cnn1CCOC ZINC000160061340 197382959 /nfs/dbraw/zinc/38/29/59/197382959.db2.gz YATHUIXNJHEAOH-SNVBAGLBSA-N 1 0 322.272 2.435 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](OC)[C@@H](C)C2)CC1 ZINC000454654364 246035899 /nfs/dbraw/zinc/03/58/99/246035899.db2.gz OFSDRBYZVOPZFR-GOEBONIOSA-N 1 0 311.470 2.175 10 0 DEAERO CCO[C@@H]1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)C[C@@H]1C ZINC000454780775 246148482 /nfs/dbraw/zinc/14/84/82/246148482.db2.gz GLDJMBQROQYNKJ-JKSUJKDBSA-N 1 0 309.454 2.095 10 0 DEAERO CCO[C@H]1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)C[C@H]1C ZINC000454780770 246148577 /nfs/dbraw/zinc/14/85/77/246148577.db2.gz GLDJMBQROQYNKJ-CVEARBPZSA-N 1 0 309.454 2.095 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCCOCC2CCCC2)CC1 ZINC000454789487 246153199 /nfs/dbraw/zinc/15/31/99/246153199.db2.gz PPYSVGKOWYGYMQ-UHFFFAOYSA-N 1 0 309.454 2.144 10 0 DEAERO CCC[NH2+][C@@H](Cc1cc(F)ccc1C)[C@H](C)S(C)(=O)=O ZINC000097858693 193765043 /nfs/dbraw/zinc/76/50/43/193765043.db2.gz ZUUVLNJQFYZSQX-WFASDCNBSA-N 1 0 301.427 2.478 10 0 DEAERO COc1ccc(Cl)cc1NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000023249641 182354283 /nfs/dbraw/zinc/35/42/83/182354283.db2.gz IQVQQQWDDMPIQZ-CYBMUJFWSA-N 1 0 323.824 2.067 10 0 DEAERO CCNC(=O)[C@@H]1C[C@@H]([NH2+]C(C)C)CN1Cc1cccc(Cl)c1 ZINC000023362457 182358390 /nfs/dbraw/zinc/35/83/90/182358390.db2.gz DLMQEGAKHUPUHC-CVEARBPZSA-N 1 0 323.868 2.417 10 0 DEAERO CCC(CC)[C@@H](CNC(=O)c1nnc(Cl)s1)[NH+](C)C ZINC000159856861 197369497 /nfs/dbraw/zinc/36/94/97/197369497.db2.gz ZLFQSTKCUZQKQX-SECBINFHSA-N 1 0 304.847 2.288 10 0 DEAERO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)C1CCOCC1 ZINC000156049658 291614410 /nfs/dbraw/zinc/61/44/10/291614410.db2.gz GKEWOQHUVXPQMF-CQSZACIVSA-N 1 0 308.422 2.233 10 0 DEAERO C[NH+](C)CCCC(C)(C)NC(=O)Cn1ncc2ccccc21 ZINC000456162477 246972113 /nfs/dbraw/zinc/97/21/13/246972113.db2.gz FQKOHAVDDKQQFI-UHFFFAOYSA-N 1 0 302.422 2.273 10 0 DEAERO O=C(c1ccc2c(c1)OCCCO2)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186498303 296236590 /nfs/dbraw/zinc/23/65/90/296236590.db2.gz SKWJHVMTHJOEHK-CQSZACIVSA-N 1 0 316.401 2.205 10 0 DEAERO Cc1cn2cc(C(=O)NC3CC[NH+](C4CCC4)CC3)sc2n1 ZINC000456681998 247356682 /nfs/dbraw/zinc/35/66/82/247356682.db2.gz JIFNYZJOUKVBGQ-UHFFFAOYSA-N 1 0 318.446 2.451 10 0 DEAERO C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459691814 248661984 /nfs/dbraw/zinc/66/19/84/248661984.db2.gz HABBMXZKQGTJSI-QCAJKXFRSA-N 1 0 318.465 2.224 10 0 DEAERO CC(C)[NH2+]Cc1ccc(Br)cc1N(C)CCO ZINC000037899529 182934855 /nfs/dbraw/zinc/93/48/55/182934855.db2.gz LWRHEAJYWTZMIZ-UHFFFAOYSA-N 1 0 301.228 2.376 10 0 DEAERO CC[NH+](CC)CCNC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000114581804 284629367 /nfs/dbraw/zinc/62/93/67/284629367.db2.gz ADNIIFKDJHJMSC-HNNXBMFYSA-N 1 0 321.469 2.225 10 0 DEAERO CC(C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000040435958 183067113 /nfs/dbraw/zinc/06/71/13/183067113.db2.gz MCIQXSDBNUFULE-OAHLLOKOSA-N 1 0 314.426 2.224 10 0 DEAERO Cc1cc(C)c(C[NH3+])c(Oc2cccc(S(C)(=O)=O)c2)n1 ZINC000040509788 183086045 /nfs/dbraw/zinc/08/60/45/183086045.db2.gz MIIMWZRUHGMSHE-UHFFFAOYSA-N 1 0 306.387 2.353 10 0 DEAERO COc1ccc([C@@H](C(=O)NCC[NH+](C)C)C(C)C)cc1OC ZINC000040651908 183114429 /nfs/dbraw/zinc/11/44/29/183114429.db2.gz FAVJZTSCMCOIRO-INIZCTEOSA-N 1 0 308.422 2.121 10 0 DEAERO CC[NH+](CC)[C@H](CNS(=O)(=O)CC)c1ccc(OC)cc1 ZINC000040614940 183108620 /nfs/dbraw/zinc/10/86/20/183108620.db2.gz TYVVAYVRBWLFOW-OAHLLOKOSA-N 1 0 314.451 2.017 10 0 DEAERO Cc1ccc([C@H](CNS(C)(=O)=O)[NH+]2CCCCCC2)cc1 ZINC000040615852 183109479 /nfs/dbraw/zinc/10/94/79/183109479.db2.gz YLPVWBRGKRLASA-INIZCTEOSA-N 1 0 310.463 2.461 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)C1([NH3+])CCCC1)CCC2 ZINC000040858910 183142625 /nfs/dbraw/zinc/14/26/25/183142625.db2.gz YLAFNLICUUQZCC-UHFFFAOYSA-N 1 0 308.403 2.233 10 0 DEAERO COC(=O)c1c(NC(=O)[C@@](C)([NH3+])C2CC2)sc2c1CCC2 ZINC000040858907 183143119 /nfs/dbraw/zinc/14/31/19/183143119.db2.gz ZFZDAGZXDBCSCX-HNNXBMFYSA-N 1 0 308.403 2.089 10 0 DEAERO C[NH+](C)CC(C)(C)CNc1ncc(Br)cc1N ZINC000040713570 183121845 /nfs/dbraw/zinc/12/18/45/183121845.db2.gz VPYJMHHEAJIEHA-UHFFFAOYSA-N 1 0 301.232 2.426 10 0 DEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)s1 ZINC000040749814 183128833 /nfs/dbraw/zinc/12/88/33/183128833.db2.gz AWIPXQMTTWQXBR-CBLAIPOGSA-N 1 0 306.840 2.044 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000041028213 183157185 /nfs/dbraw/zinc/15/71/85/183157185.db2.gz XMRUVIHMUWEBLW-NSHDSACASA-N 1 0 314.227 2.224 10 0 DEAERO Cc1cc(C(=O)NCC[NH+](C)C)nn1-c1ccc(C)c(C)c1 ZINC000041455802 183192531 /nfs/dbraw/zinc/19/25/31/183192531.db2.gz HMDZSOXDYQBMOM-UHFFFAOYSA-N 1 0 300.406 2.089 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1cccc(Cl)c1-n1cncn1 ZINC000042167443 183237887 /nfs/dbraw/zinc/23/78/87/183237887.db2.gz QUDSAQBKVDOXBI-JTQLQIEISA-N 1 0 305.769 2.001 10 0 DEAERO [NH3+]C[C@H]1CCCCN1C(=O)/C=C/c1ccc(Br)o1 ZINC000493636929 249346100 /nfs/dbraw/zinc/34/61/00/249346100.db2.gz ZYBBWBBQRQESJO-BREXMAIKSA-N 1 0 313.195 2.395 10 0 DEAERO CC[C@@H](C)NC(=O)COc1c(Br)cccc1C[NH3+] ZINC000042411378 183265593 /nfs/dbraw/zinc/26/55/93/183265593.db2.gz SSIWWJGXUOWAEY-SECBINFHSA-N 1 0 315.211 2.201 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1O[C@@H]1CCC[C@@H]1O ZINC000042411601 183265978 /nfs/dbraw/zinc/26/59/78/183265978.db2.gz WSGHFGJYIXXDLR-NWDGAFQWSA-N 1 0 300.196 2.461 10 0 DEAERO COCCN([C@H](C[NH3+])c1ccc(Br)o1)C1CC1 ZINC000042517942 183279611 /nfs/dbraw/zinc/27/96/11/183279611.db2.gz WYQXFSHKPUZZSH-SNVBAGLBSA-N 1 0 303.200 2.153 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2F)C1 ZINC000042374820 183260451 /nfs/dbraw/zinc/26/04/51/183260451.db2.gz PWYHVJXMTQARPJ-VIFPVBQESA-N 1 0 301.159 2.022 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2Br)C1 ZINC000042374837 183260506 /nfs/dbraw/zinc/26/05/06/183260506.db2.gz XOPSZXRRNHFROM-SECBINFHSA-N 1 0 301.159 2.022 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2F)C1 ZINC000042374821 183260978 /nfs/dbraw/zinc/26/09/78/183260978.db2.gz PWYHVJXMTQARPJ-SECBINFHSA-N 1 0 301.159 2.022 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000042549377 183283784 /nfs/dbraw/zinc/28/37/84/183283784.db2.gz TVRGLTRRQPNITP-NSHDSACASA-N 1 0 314.227 2.095 10 0 DEAERO CCCC[N@H+](CCC(=O)N(C)CCC(N)=S)[C@H](C)CC ZINC000042607563 183290222 /nfs/dbraw/zinc/29/02/22/183290222.db2.gz RSTMQHQDDNMPHS-CYBMUJFWSA-N 1 0 301.500 2.412 10 0 DEAERO C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000042610559 183291107 /nfs/dbraw/zinc/29/11/07/183291107.db2.gz JCRWQXSURMWQHR-QLFBSQMISA-N 1 0 302.484 2.359 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000042951485 183320432 /nfs/dbraw/zinc/32/04/32/183320432.db2.gz AFACGGXLIPEBGU-KRTXAFLBSA-N 1 0 310.810 2.186 10 0 DEAERO Cc1cccc([C@H](C[NH3+])Oc2ccc(S(C)(=O)=O)cc2)c1 ZINC000042969279 183324480 /nfs/dbraw/zinc/32/44/80/183324480.db2.gz XIVNYIAMYJYXRM-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1cccc(F)c1 ZINC000042974824 183325623 /nfs/dbraw/zinc/32/56/23/183325623.db2.gz KPJNTXALIMQSJS-ZWNOBZJWSA-N 1 0 307.398 2.351 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1cccc(Cl)c1 ZINC000043019688 183328356 /nfs/dbraw/zinc/32/83/56/183328356.db2.gz PEHYNGMMBUOGPY-MADCSZMMSA-N 1 0 310.810 2.186 10 0 DEAERO Cc1ccccc1[C@H](C[NH3+])Oc1cccc(S(C)(=O)=O)c1 ZINC000043040303 183331793 /nfs/dbraw/zinc/33/17/93/183331793.db2.gz JBHGZZWUCLIKMX-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO Cc1ccccc1[C@@H](C[NH3+])Oc1ccc(S(C)(=O)=O)cc1 ZINC000043040296 183332189 /nfs/dbraw/zinc/33/21/89/183332189.db2.gz UOUWCGJVRCBMOU-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1ccccc1F ZINC000043050352 183332555 /nfs/dbraw/zinc/33/25/55/183332555.db2.gz WRXHWOLTMDHAEY-ZWNOBZJWSA-N 1 0 307.398 2.351 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CCC(C(=O)NC)CC1 ZINC000043240657 183345815 /nfs/dbraw/zinc/34/58/15/183345815.db2.gz PWZUSQANMRRUOY-DZGCQCFKSA-N 1 0 309.479 2.293 10 0 DEAERO CCCCN(CC(N)=O)[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043254161 183347997 /nfs/dbraw/zinc/34/79/97/183347997.db2.gz XDJPQTCHFTYUEF-RNCFNFMXSA-N 1 0 303.859 2.377 10 0 DEAERO Cc1nc(C)n([C@@H](C[NH3+])c2ccc(Br)s2)n1 ZINC000043263505 183348778 /nfs/dbraw/zinc/34/87/78/183348778.db2.gz AQXJUOROZGXLCS-QMMMGPOBSA-N 1 0 301.213 2.267 10 0 DEAERO [NH3+]C[C@H](Sc1nc[nH]n1)c1ccc(Br)s1 ZINC000043283325 183350781 /nfs/dbraw/zinc/35/07/81/183350781.db2.gz DJQWVRVGBPZEEA-LURJTMIESA-N 1 0 305.226 2.421 10 0 DEAERO [NH3+][C@@H](c1ccc(F)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043299827 183351397 /nfs/dbraw/zinc/35/13/97/183351397.db2.gz SAZBQZCEEBDZJO-KWQFWETISA-N 1 0 322.199 2.023 10 0 DEAERO [NH3+][C@H](c1ccc(Br)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043299834 183351468 /nfs/dbraw/zinc/35/14/68/183351468.db2.gz XABPTPWGEBQVHZ-HQJQHLMTSA-N 1 0 322.199 2.023 10 0 DEAERO [NH3+][C@H](c1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300042 183352063 /nfs/dbraw/zinc/35/20/63/183352063.db2.gz VCLCQEYSXYHCJV-KCJUWKMLSA-N 1 0 309.309 2.020 10 0 DEAERO CC[C@H]([NH3+])Cc1ccc(OCCS(=O)(=O)CC)c(Cl)c1 ZINC000043492475 183367397 /nfs/dbraw/zinc/36/73/97/183367397.db2.gz LBVHKPLNRCEOEK-LBPRGKRZSA-N 1 0 319.854 2.433 10 0 DEAERO O=C(Nc1c(Cl)cccc1C(F)(F)F)[C@H]1C[NH2+]CCO1 ZINC000043712974 183382958 /nfs/dbraw/zinc/38/29/58/183382958.db2.gz PHZIRIBHWYWPAB-SECBINFHSA-N 1 0 308.687 2.286 10 0 DEAERO O=C(Nc1ccc(C(F)(F)F)cc1Cl)[C@@H]1C[NH2+]CCO1 ZINC000043708827 183383001 /nfs/dbraw/zinc/38/30/01/183383001.db2.gz LOQGEEIPGCBZCM-JTQLQIEISA-N 1 0 308.687 2.286 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1NCC(C)(C)[NH+](C)C ZINC000043411845 183361071 /nfs/dbraw/zinc/36/10/71/183361071.db2.gz PYEFNHHJLGVENK-UHFFFAOYSA-N 1 0 313.467 2.125 10 0 DEAERO CC[NH+]1CCC(CN2C(=S)N=NC2c2ccccn2)CC1 ZINC000044526436 183417984 /nfs/dbraw/zinc/41/79/84/183417984.db2.gz MKMWEWFRSOUXTP-UHFFFAOYSA-N 1 0 303.435 2.361 10 0 DEAERO OC1CC(C[NH2+]Cc2cccc(I)c2)C1 ZINC000308956342 291692446 /nfs/dbraw/zinc/69/24/46/291692446.db2.gz YQSRWNXMHINFMM-UHFFFAOYSA-N 1 0 317.170 2.152 10 0 DEAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000284709717 218143916 /nfs/dbraw/zinc/14/39/16/218143916.db2.gz UWQHQAUHNRKKAZ-GXTWGEPZSA-N 1 0 319.323 2.166 10 0 DEAERO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105136330 194077982 /nfs/dbraw/zinc/07/79/82/194077982.db2.gz VGUVIDLWAMZANH-ZACQAIPSSA-N 1 0 323.481 2.461 10 0 DEAERO Cc1ccc(O)c(C[NH2+][C@@H](c2nccn2C)C2CCOCC2)n1 ZINC000284862419 218211035 /nfs/dbraw/zinc/21/10/35/218211035.db2.gz YDPNSBNFWRWTLF-MRXNPFEDSA-N 1 0 316.405 2.087 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccccc3)o2)C[C@@H]1C ZINC000105820769 194136446 /nfs/dbraw/zinc/13/64/46/194136446.db2.gz XVWTVQQHZATTCC-LSDHHAIUSA-N 1 0 315.417 2.229 10 0 DEAERO CC[C@@H]1CN(CCCOc2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000105825916 194138471 /nfs/dbraw/zinc/13/84/71/194138471.db2.gz HBDTVUCCYVGAOI-NVXWUHKLSA-N 1 0 324.440 2.372 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(CCSc2ccccc2F)C[C@@H]1C ZINC000105822298 194138829 /nfs/dbraw/zinc/13/88/29/194138829.db2.gz AKCMHXIJHCLFIP-UONOGXRCSA-N 1 0 312.454 2.305 10 0 DEAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2ccccc2F)C[C@H]1CC ZINC000105838268 194143605 /nfs/dbraw/zinc/14/36/05/194143605.db2.gz UWPRQXZOUGFKAF-QAPCUYQASA-N 1 0 324.440 2.292 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000105881298 194156100 /nfs/dbraw/zinc/15/61/00/194156100.db2.gz RKYRUBKPDPYUDK-HZPDHXFCSA-N 1 0 314.433 2.090 10 0 DEAERO CC(C)OCCC[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105917042 194168031 /nfs/dbraw/zinc/16/80/31/194168031.db2.gz DKBHIEYFZSEKPG-UHFFFAOYSA-N 1 0 322.453 2.270 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000105922218 194170766 /nfs/dbraw/zinc/17/07/66/194170766.db2.gz NDGPHZIXXMIEOG-LSDHHAIUSA-N 1 0 309.454 2.350 10 0 DEAERO CCn1cnnc1C1CC[NH+](Cc2ccc(C(=O)OC)o2)CC1 ZINC000105929205 194172295 /nfs/dbraw/zinc/17/22/95/194172295.db2.gz IHVZSJZXVXLORL-UHFFFAOYSA-N 1 0 318.377 2.057 10 0 DEAERO Clc1snnc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047971857 183612108 /nfs/dbraw/zinc/61/21/08/183612108.db2.gz RKSYAXKVOWXBDX-UHFFFAOYSA-N 1 0 300.859 2.499 10 0 DEAERO CC[C@H]1CN(Cc2cccc(C(=O)OC)c2)CC[N@@H+]1CCOC ZINC000106115666 194187687 /nfs/dbraw/zinc/18/76/87/194187687.db2.gz XKUHTHZDVNGMSF-KRWDZBQOSA-N 1 0 320.433 2.016 10 0 DEAERO CCn1cnnc1C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000106387135 194205740 /nfs/dbraw/zinc/20/57/40/194205740.db2.gz RQYJOBSZCBWDRM-SFHVURJKSA-N 1 0 314.433 2.385 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000106392471 194206766 /nfs/dbraw/zinc/20/67/66/194206766.db2.gz NWQRKPJORXOAAO-CDVVCGDMSA-N 1 0 322.836 2.268 10 0 DEAERO CC(C)[NH2+]CCS(=O)(=O)Nc1ccc(OC(F)F)cc1 ZINC000049642760 183751375 /nfs/dbraw/zinc/75/13/75/183751375.db2.gz KSCBJUABWVCCSB-UHFFFAOYSA-N 1 0 308.350 2.028 10 0 DEAERO CC[C@H](NS(=O)(=O)C[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000049646209 183751765 /nfs/dbraw/zinc/75/17/65/183751765.db2.gz VQRBCMDMEHMFQJ-NEPJUHHUSA-N 1 0 302.465 2.118 10 0 DEAERO [NH3+]CCc1cc(Br)ccc1OC[C@H]1CCOC1 ZINC000049689801 183754425 /nfs/dbraw/zinc/75/44/25/183754425.db2.gz AJPJCIYNOUBXLH-JTQLQIEISA-N 1 0 300.196 2.366 10 0 DEAERO Brc1cc2c(cc1C[NH2+][C@H]1CCCOC1)OCO2 ZINC000109544681 194272752 /nfs/dbraw/zinc/27/27/52/194272752.db2.gz FLTFXYMCKUCDMT-JTQLQIEISA-N 1 0 314.179 2.446 10 0 DEAERO C[C@@H]1CSCCN1c1cc(NN)[nH+]c(-c2ccccc2)n1 ZINC000159332899 197346045 /nfs/dbraw/zinc/34/60/45/197346045.db2.gz OHEORRFDPOPWIT-LLVKDONJSA-N 1 0 301.419 2.371 10 0 DEAERO CC[NH2+]Cc1c(N2CCC[C@H]2CCCO)nc2sccn12 ZINC000052761677 183871029 /nfs/dbraw/zinc/87/10/29/183871029.db2.gz VABNBVWWMKSAFX-LBPRGKRZSA-N 1 0 308.451 2.247 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)C2(C(N)=S)CCCCC2)C1 ZINC000110272593 194318972 /nfs/dbraw/zinc/31/89/72/194318972.db2.gz BZJOVFNRSGHBQY-ZDUSSCGKSA-N 1 0 311.495 2.166 10 0 DEAERO COCC[NH2+]C[C@@H]1CCCN1c1ccc(C(F)(F)F)cn1 ZINC000053697665 183910239 /nfs/dbraw/zinc/91/02/39/183910239.db2.gz REOBKOXEGIKRCV-LBPRGKRZSA-N 1 0 303.328 2.305 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCNC(=O)[C@@H]1C ZINC000110655171 194346519 /nfs/dbraw/zinc/34/65/19/194346519.db2.gz UVHKUFTZCGEXFG-HOTUBEGUSA-N 1 0 301.843 2.000 10 0 DEAERO CC1(C)C(=O)NCCN1c1cccc(Cl)c1C[NH2+]C1CC1 ZINC000110661389 194346709 /nfs/dbraw/zinc/34/67/09/194346709.db2.gz XUHUYORAKCSENC-UHFFFAOYSA-N 1 0 307.825 2.307 10 0 DEAERO CNC(=O)[C@@H](C)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110822306 194361321 /nfs/dbraw/zinc/36/13/21/194361321.db2.gz IEXUVURJTLHFNV-RNCFNFMXSA-N 1 0 311.223 2.031 10 0 DEAERO C[C@@H]1CCCN(S(=O)(=O)c2ccc(CC[NH3+])s2)CC1 ZINC000110816241 194361332 /nfs/dbraw/zinc/36/13/32/194361332.db2.gz PRNRQRAVZJZCKA-LLVKDONJSA-N 1 0 302.465 2.060 10 0 DEAERO COc1ccc(Br)c(-c2nc(C[C@H](C)[NH3+])no2)c1 ZINC000054161491 183927480 /nfs/dbraw/zinc/92/74/80/183927480.db2.gz TXOXQKMDHCZOAX-ZETCQYMHSA-N 1 0 312.167 2.397 10 0 DEAERO CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110933123 194371318 /nfs/dbraw/zinc/37/13/18/194371318.db2.gz OJZDLWLMQVMAFA-LLVKDONJSA-N 1 0 322.352 2.168 10 0 DEAERO CC[C@@H]([NH3+])[C@H](SCCS(C)(=O)=O)c1cccc(F)c1 ZINC000111003982 194380496 /nfs/dbraw/zinc/38/04/96/194380496.db2.gz BWDOKOFCTFILJG-CHWSQXEVSA-N 1 0 305.440 2.382 10 0 DEAERO CCCC(CCC)(C(N)=S)C(=O)N(C)CCC[NH+](C)C ZINC000111138802 194394303 /nfs/dbraw/zinc/39/43/03/194394303.db2.gz HNGDLTIFIQXATJ-UHFFFAOYSA-N 1 0 301.500 2.269 10 0 DEAERO CCOCCN(CC)c1nc(C)c(C[NH2+]CCOC)s1 ZINC000111124596 194392846 /nfs/dbraw/zinc/39/28/46/194392846.db2.gz UMVAISVSRBSEBE-UHFFFAOYSA-N 1 0 301.456 2.050 10 0 DEAERO CN(C[C@@H]1CCCOC1)c1ncc(Br)cc1C[NH3+] ZINC000111173933 194398621 /nfs/dbraw/zinc/39/86/21/194398621.db2.gz OXYXSYAQRNEYEH-JTQLQIEISA-N 1 0 314.227 2.166 10 0 DEAERO COc1cccc(Br)c1OC[C@@H](O)C[NH2+]C(C)C ZINC000157194000 197168826 /nfs/dbraw/zinc/16/88/26/197168826.db2.gz QJMDBLCMWMSKLC-JTQLQIEISA-N 1 0 318.211 2.195 10 0 DEAERO CCn1cc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000057202847 184029584 /nfs/dbraw/zinc/02/95/84/184029584.db2.gz XJSKBFCZLMFQQP-HNNXBMFYSA-N 1 0 315.421 2.197 10 0 DEAERO Cc1cc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)n(C)n1 ZINC000057205514 184029639 /nfs/dbraw/zinc/02/96/39/184029639.db2.gz JPLIYRSOIGQSIR-OAHLLOKOSA-N 1 0 315.421 2.023 10 0 DEAERO CC(C)(C)c1cc(NC(=O)CN2CCC[N@@H+](C3CC3)CC2)on1 ZINC000061041003 184160106 /nfs/dbraw/zinc/16/01/06/184160106.db2.gz JXQJMDLIKYJHCK-UHFFFAOYSA-N 1 0 320.437 2.081 10 0 DEAERO c1cc(OCCCN2CCC[N@@H+](C3CC3)CC2)cc2c1OCO2 ZINC000061040734 184160397 /nfs/dbraw/zinc/16/03/97/184160397.db2.gz ITLHPYMNTIBHPV-UHFFFAOYSA-N 1 0 318.417 2.354 10 0 DEAERO c1cc(-c2noc(CN3CCC[N@@H+](C4CC4)CC3)n2)cs1 ZINC000061041317 184160866 /nfs/dbraw/zinc/16/08/66/184160866.db2.gz DPQFBDQGRZZQBU-UHFFFAOYSA-N 1 0 304.419 2.468 10 0 DEAERO C[NH2+]C(C)(C)C(=O)NCc1cc(F)ccc1Br ZINC000061317812 184168341 /nfs/dbraw/zinc/16/83/41/184168341.db2.gz ZVOUQMWLFYUIHO-UHFFFAOYSA-N 1 0 303.175 2.202 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(Br)cn3)C[C@@H]2C1 ZINC000061863910 184190551 /nfs/dbraw/zinc/19/05/51/184190551.db2.gz ZLIJRBNOTQRIHC-JFGNBEQYSA-N 1 0 324.222 2.044 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCCNc1nc(Cl)nc(N(C)C)n1 ZINC000061536457 184172245 /nfs/dbraw/zinc/17/22/45/184172245.db2.gz HWGLFSYMRQXRSM-LLVKDONJSA-N 1 0 312.849 2.267 10 0 DEAERO CC[N@@H+]1CCC[C@H](Nc2nc(Cl)nc(N3CCCC3)n2)C1 ZINC000061539219 184172977 /nfs/dbraw/zinc/17/29/77/184172977.db2.gz VERNCWOTALNWSA-NSHDSACASA-N 1 0 310.833 2.021 10 0 DEAERO CCCn1c(S[C@H](c2cccc(C)c2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594818 184176458 /nfs/dbraw/zinc/17/64/58/184176458.db2.gz SNTDSJVFLZNNIJ-AAEUAGOBSA-N 1 0 306.435 2.470 10 0 DEAERO CC(C)n1c(Sc2ccc(Cl)cc2C(N)=[NH2+])n[nH]c1=O ZINC000061595672 184176557 /nfs/dbraw/zinc/17/65/57/184176557.db2.gz WKSFAIFPYNEMKP-UHFFFAOYSA-N 1 0 311.798 2.241 10 0 DEAERO COC(=O)c1sc(N2CCC[C@@H]2C[NH+](C)C)nc1Cl ZINC000061654770 184181246 /nfs/dbraw/zinc/18/12/46/184181246.db2.gz QKFVHXBZHFDOGD-MRVPVSSYSA-N 1 0 303.815 2.114 10 0 DEAERO C[C@@H](c1nc(-c2ccc(F)cc2Cl)no1)N1CC[NH2+]CC1 ZINC000061845123 184189600 /nfs/dbraw/zinc/18/96/00/184189600.db2.gz BFAMMNYMGOHZSF-VIFPVBQESA-N 1 0 310.760 2.495 10 0 DEAERO [NH3+]C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCCOCC1 ZINC000061916560 184195026 /nfs/dbraw/zinc/19/50/26/184195026.db2.gz OIPBNDAHPTVTFW-CYBMUJFWSA-N 1 0 304.312 2.307 10 0 DEAERO [NH3+]C[C@H](c1cc(Br)ccc1F)N1CCCOCC1 ZINC000061916544 184195351 /nfs/dbraw/zinc/19/53/51/184195351.db2.gz DMINLJVMWXPWRK-CYBMUJFWSA-N 1 0 317.202 2.310 10 0 DEAERO COC(=O)[C@@]1(Nc2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000061991468 184200163 /nfs/dbraw/zinc/20/01/63/184200163.db2.gz PJOWZJBUHVGBTC-CYBMUJFWSA-N 1 0 313.195 2.108 10 0 DEAERO CCCN[C@@](C)(CCCC[N@H+](C)CCCOC)C(=O)OC ZINC000062034981 184202878 /nfs/dbraw/zinc/20/28/78/184202878.db2.gz IYOTXWSXZRHXAW-INIZCTEOSA-N 1 0 302.459 2.056 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCNC(=O)CC1 ZINC000062099444 184206157 /nfs/dbraw/zinc/20/61/57/184206157.db2.gz ZFHUNXLGFLCSIL-RNCFNFMXSA-N 1 0 301.843 2.002 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000061883598 184192132 /nfs/dbraw/zinc/19/21/32/184192132.db2.gz OADATOACODCDCI-WDSKDSINSA-N 1 0 308.250 2.239 10 0 DEAERO COCCN1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc(Cl)cc1Cl ZINC000062210256 184220985 /nfs/dbraw/zinc/22/09/85/184220985.db2.gz SYVQMSYSVBMYKP-AAEUAGOBSA-N 1 0 303.189 2.241 10 0 DEAERO CN(Cc1nccn1C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000062247620 184225259 /nfs/dbraw/zinc/22/52/59/184225259.db2.gz HTGIZIBTYJEAIM-ZDUSSCGKSA-N 1 0 323.238 2.314 10 0 DEAERO CCC[NH2+]Cc1sc(N2CCn3ccnc3C2)nc1CC ZINC000062328107 184230980 /nfs/dbraw/zinc/23/09/80/184230980.db2.gz MJYQXNVFOYTEGS-UHFFFAOYSA-N 1 0 305.451 2.422 10 0 DEAERO CC[C@@]1(C(=O)Nc2cc(C(N)=O)ccc2Cl)CCC[NH2+]C1 ZINC000062854829 184256558 /nfs/dbraw/zinc/25/65/58/184256558.db2.gz YKJGPVHRSDPXFQ-OAHLLOKOSA-N 1 0 309.797 2.157 10 0 DEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000062855345 184256703 /nfs/dbraw/zinc/25/67/03/184256703.db2.gz HRGPEINTLXARGP-OAHLLOKOSA-N 1 0 310.781 2.455 10 0 DEAERO O=S(=O)(CCC1CC[NH2+]CC1)N1CCC2(CCCC2)CC1 ZINC000062959667 184262438 /nfs/dbraw/zinc/26/24/38/184262438.db2.gz GRLFYYZCUARHPF-UHFFFAOYSA-N 1 0 314.495 2.362 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(Br)cn1 ZINC000063210044 184278550 /nfs/dbraw/zinc/27/85/50/184278550.db2.gz JYBAREFNZPGMDQ-MNOVXSKESA-N 1 0 312.211 2.234 10 0 DEAERO C[C@H]1[NH2+]CCCN(Cc2cc(Br)ccc2F)C1=O ZINC000063215117 184278812 /nfs/dbraw/zinc/27/88/12/184278812.db2.gz KAEUCIOXYISXKV-SECBINFHSA-N 1 0 315.186 2.299 10 0 DEAERO C[NH+](C)[C@@H]1CCN(CCNc2ccc(Br)cc2)C1 ZINC000062974161 184263432 /nfs/dbraw/zinc/26/34/32/184263432.db2.gz HOXGRFVLPZHHIG-CQSZACIVSA-N 1 0 312.255 2.497 10 0 DEAERO C[NH+](C)[C@@H]1CCN(CCNc2ccccc2Br)C1 ZINC000062974109 184263868 /nfs/dbraw/zinc/26/38/68/184263868.db2.gz LIUUQYUXISXZLW-GFCCVEGCSA-N 1 0 312.255 2.497 10 0 DEAERO CCC[NH2+]Cc1ccc(OCCCS(C)(=O)=O)c(OC)c1 ZINC000063014334 184266541 /nfs/dbraw/zinc/26/65/41/184266541.db2.gz FNSRSCHIEULAPV-UHFFFAOYSA-N 1 0 315.435 2.008 10 0 DEAERO CC[NH2+]C[C@@H](CCCS(C)(=O)=O)Cc1ccccc1OC ZINC000063018334 184267435 /nfs/dbraw/zinc/26/74/35/184267435.db2.gz DQZKGJDEGUSXIM-AWEZNQCLSA-N 1 0 313.463 2.288 10 0 DEAERO CC[NH2+]C[C@@H](CCCS(C)(=O)=O)Cc1ccc(OC)cc1 ZINC000063018246 184267507 /nfs/dbraw/zinc/26/75/07/184267507.db2.gz FFENBBKHUWIDOG-HNNXBMFYSA-N 1 0 313.463 2.288 10 0 DEAERO Cc1cc(Br)ccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000063061880 184268826 /nfs/dbraw/zinc/26/88/26/184268826.db2.gz HMSNNOQGQNGEBD-LBPRGKRZSA-N 1 0 302.212 2.495 10 0 DEAERO C[C@H](CC[NH3+])N(C)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000063086041 184269701 /nfs/dbraw/zinc/26/97/01/184269701.db2.gz FHZOPOIGWMYBKK-SECBINFHSA-N 1 0 310.341 2.063 10 0 DEAERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)NCCC(F)(F)F)c1 ZINC000063101547 184271202 /nfs/dbraw/zinc/27/12/02/184271202.db2.gz HPKPRNGQNIBBON-NSHDSACASA-N 1 0 310.341 2.327 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@H](C[NH2+]C(C)C)C2)cc1 ZINC000063138743 184273269 /nfs/dbraw/zinc/27/32/69/184273269.db2.gz BVNLHSJVTSTHTH-OAHLLOKOSA-N 1 0 310.463 2.394 10 0 DEAERO CC1CCC(CNS(=O)(=O)c2ccc(CC[NH3+])s2)CC1 ZINC000063147546 184273748 /nfs/dbraw/zinc/27/37/48/184273748.db2.gz RTZWBKIZDGONSK-UHFFFAOYSA-N 1 0 316.492 2.354 10 0 DEAERO CCCN(C1(C[NH3+])CCCCCC1)S(=O)(=O)CCOCC ZINC000063153369 184274398 /nfs/dbraw/zinc/27/43/98/184274398.db2.gz CEAJDIXDYFGLLM-UHFFFAOYSA-N 1 0 320.499 2.116 10 0 DEAERO COc1ccc(Br)c(C(=O)N[C@H]2CCC[C@H]2[NH3+])c1 ZINC000063172396 184276093 /nfs/dbraw/zinc/27/60/93/184276093.db2.gz PJMUACKHWNRXIO-NEPJUHHUSA-N 1 0 313.195 2.067 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000262633730 207372613 /nfs/dbraw/zinc/37/26/13/207372613.db2.gz ODUBPDLRTXGDTB-RYRKJORJSA-N 1 0 302.418 2.473 10 0 DEAERO Cc1nn([C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)c(C)c1Cl ZINC000068649868 184496494 /nfs/dbraw/zinc/49/64/94/184496494.db2.gz NBJLOHKHTIPKSX-LKFCYVNXSA-N 1 0 300.834 2.346 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1c(F)cccc1F ZINC000538126107 285026055 /nfs/dbraw/zinc/02/60/55/285026055.db2.gz UQMBIWNLRSRFMI-AVGNSLFASA-N 1 0 315.360 2.172 10 0 DEAERO C[C@@H](CO)N(C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119620209 195004223 /nfs/dbraw/zinc/00/42/23/195004223.db2.gz LLCUJBTUUREBKI-MAUKXSAKSA-N 1 0 319.449 2.063 10 0 DEAERO CCN(C[C@@H]1CC[N@@H+]([C@@H](C(=O)OC)C2CC2)C1)CC(F)(F)F ZINC000359607055 285033710 /nfs/dbraw/zinc/03/37/10/285033710.db2.gz ZSONJTQRQMDASI-WCQYABFASA-N 1 0 322.371 2.144 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C)c2)[C@H](C)C1 ZINC000119704698 195021933 /nfs/dbraw/zinc/02/19/33/195021933.db2.gz FTWVKRDWCYLNQC-GDBMZVCRSA-N 1 0 317.433 2.122 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)N1CCc2sccc2[C@@H]1C1CC1 ZINC000159304500 197343946 /nfs/dbraw/zinc/34/39/46/197343946.db2.gz PQVPJUIFZQQFKN-ZFWWWQNUSA-N 1 0 308.447 2.338 10 0 DEAERO C[NH2+][C@H](C[S@](=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000159160785 197331722 /nfs/dbraw/zinc/33/17/22/197331722.db2.gz WSFRFAORJRDISE-ZFXASYOHSA-N 1 0 321.364 2.438 10 0 DEAERO CNc1ncc(Br)c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000159241088 197339423 /nfs/dbraw/zinc/33/94/23/197339423.db2.gz GBOLHPNTJFQYEN-DTWKUNHWSA-N 1 0 314.231 2.175 10 0 DEAERO C[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(F)c(C[NH2+]C(C)(C)C)c1 ZINC000159109636 197328834 /nfs/dbraw/zinc/32/88/34/197328834.db2.gz NUIWRCSDVBIPLI-HZMBPMFUSA-N 1 0 314.426 2.401 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)CC2CCC2)cc(C[NH3+])c1F ZINC000159113371 197328291 /nfs/dbraw/zinc/32/82/91/197328291.db2.gz GAHSYOFOGPZCLD-UHFFFAOYSA-N 1 0 300.399 2.013 10 0 DEAERO CCCc1cc(C(=O)N2CCSC(C)(C)C2)cc(NN)[nH+]1 ZINC000159088617 197325476 /nfs/dbraw/zinc/32/54/76/197325476.db2.gz QXTZGJHNEVQOAG-UHFFFAOYSA-N 1 0 308.451 2.287 10 0 DEAERO COc1cc2c(cc1[C@H](C[NH3+])NCC(F)(F)F)O[C@@H](C)C2 ZINC000159066064 197323404 /nfs/dbraw/zinc/32/34/04/197323404.db2.gz DMRIWGWPBVMTNT-KWQFWETISA-N 1 0 304.312 2.170 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCCC2)cc(C[NH2+]C2CC2)c1F ZINC000159047820 197321466 /nfs/dbraw/zinc/32/14/66/197321466.db2.gz OCEMXIPHVNOXPI-UHFFFAOYSA-N 1 0 312.410 2.171 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000540514963 285119453 /nfs/dbraw/zinc/11/94/53/285119453.db2.gz OIJWMCKVAHSRPF-UHFFFAOYSA-N 1 0 304.369 2.035 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000158935707 197312089 /nfs/dbraw/zinc/31/20/89/197312089.db2.gz HWLCBDVBLJGJIS-LLVKDONJSA-N 1 0 308.382 2.334 10 0 DEAERO C[C@@H](C(N)=[NH2+])N(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159036754 197320613 /nfs/dbraw/zinc/32/06/13/197320613.db2.gz FPOQXBFCUJDIOP-ZETCQYMHSA-N 1 0 304.272 2.373 10 0 DEAERO CC[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(N)=[NH2+] ZINC000159036301 197320665 /nfs/dbraw/zinc/32/06/65/197320665.db2.gz KVDKUOIUXCGMHG-SECBINFHSA-N 1 0 304.272 2.421 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000540517468 285119982 /nfs/dbraw/zinc/11/99/82/285119982.db2.gz MLZBNBBYVKORTK-UHFFFAOYSA-N 1 0 318.465 2.486 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000540517508 285119988 /nfs/dbraw/zinc/11/99/88/285119988.db2.gz OJTLMEVYWDQQHE-KRWDZBQOSA-N 1 0 320.433 2.268 10 0 DEAERO CCO[C@@H](C[NH3+])CC[S@@](=O)c1ccc(Br)cc1 ZINC000158819678 197303801 /nfs/dbraw/zinc/30/38/01/197303801.db2.gz DSBXOIGOAAUQCD-DIFFPNOSSA-N 1 0 320.252 2.311 10 0 DEAERO C[C@H]([NH3+])Cc1ccc(Oc2cccc(S(C)(=O)=O)c2)nc1 ZINC000158820558 197303814 /nfs/dbraw/zinc/30/38/14/197303814.db2.gz FTGCMFCOHQKDLO-NSHDSACASA-N 1 0 306.387 2.167 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)c1ccc(C(C)C)cc1)[C@@H]1CCOC1 ZINC000158714114 197295786 /nfs/dbraw/zinc/29/57/86/197295786.db2.gz DZPAAJDTTDVNRZ-GDBMZVCRSA-N 1 0 311.447 2.208 10 0 DEAERO CC[NH2+][C@@H](C[C@@H]1CCCO1)c1c(Br)cnn1C ZINC000158656673 197292125 /nfs/dbraw/zinc/29/21/25/197292125.db2.gz HXMSRDJNQPOQPE-ONGXEEELSA-N 1 0 302.216 2.402 10 0 DEAERO C[NH2+]Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c1C ZINC000158743648 197298330 /nfs/dbraw/zinc/29/83/30/197298330.db2.gz AZYJKDAFEGGGAN-GASCZTMLSA-N 1 0 308.447 2.135 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000158729099 197297535 /nfs/dbraw/zinc/29/75/35/197297535.db2.gz GHWDWXUVYDESIX-DOMZBBRYSA-N 1 0 315.410 2.004 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)c1ccc(C)cc1)[C@H]1CCOC1 ZINC000158725434 197297577 /nfs/dbraw/zinc/29/75/77/197297577.db2.gz WVIDRLKQVOXQHP-GOEBONIOSA-N 1 0 311.447 2.173 10 0 DEAERO O=C(NCc1cccc(=O)[nH]1)c1cccc(C[NH+]2CCCC2)c1 ZINC000540852723 285130570 /nfs/dbraw/zinc/13/05/70/285130570.db2.gz LYMSFWMYIHXLBQ-UHFFFAOYSA-N 1 0 311.385 2.313 10 0 DEAERO COC[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)C1CCOCC1 ZINC000446939015 533087338 /nfs/dbraw/zinc/08/73/38/533087338.db2.gz LEPJUPLOCIQZDG-CVEARBPZSA-N 1 0 321.417 2.248 10 0 DEAERO CC[NH2+][C@H](C[C@@H]1CCCO1)c1c(Br)cnn1C ZINC000158656814 197292213 /nfs/dbraw/zinc/29/22/13/197292213.db2.gz HXMSRDJNQPOQPE-GXSJLCMTSA-N 1 0 302.216 2.402 10 0 DEAERO C[C@@H]1OCC[C@H]1N(C)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000158613389 197287407 /nfs/dbraw/zinc/28/74/07/197287407.db2.gz PMAXPDKCEJRWTN-BIMULSAOSA-N 1 0 312.797 2.178 10 0 DEAERO CC(C)Oc1nc(Cl)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000158584300 197285588 /nfs/dbraw/zinc/28/55/88/197285588.db2.gz CWOOSFSJKGFWHW-GHMZBOCLSA-N 1 0 311.817 2.351 10 0 DEAERO C[C@@H]1OCC[C@H]1N(C)[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000158553001 197283084 /nfs/dbraw/zinc/28/30/84/197283084.db2.gz UNKRSAJQAOODBA-GDLCADMTSA-N 1 0 300.349 2.397 10 0 DEAERO COc1cccc(OCC[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1 ZINC000158503462 197279000 /nfs/dbraw/zinc/27/90/00/197279000.db2.gz KKZPOURMJHITDH-BPQIPLTHSA-N 1 0 321.417 2.342 10 0 DEAERO NNc1[nH+]cc(C(=O)NC[C@@H]2CCCCS2)cc1Cl ZINC000158491767 197277164 /nfs/dbraw/zinc/27/71/64/197277164.db2.gz MOYMTORRNSTLAM-VIFPVBQESA-N 1 0 300.815 2.036 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nc(C)sc2C)[C@H](C)C1 ZINC000158421302 197270891 /nfs/dbraw/zinc/27/08/91/197270891.db2.gz FFNJDDROWCRHNA-IAQYHMDHSA-N 1 0 309.479 2.491 10 0 DEAERO C[C@H](C[NH3+])CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000158232673 197254740 /nfs/dbraw/zinc/25/47/40/197254740.db2.gz UYALHLHPNDABFP-JTQLQIEISA-N 1 0 309.797 2.390 10 0 DEAERO C[NH+](C)[C@H]1CCN(c2cc(Br)c(F)cc2N)C1 ZINC000157882768 197223591 /nfs/dbraw/zinc/22/35/91/197223591.db2.gz JNHPTDBJAKPUPV-QMMMGPOBSA-N 1 0 302.191 2.311 10 0 DEAERO COCC[N@H+](C)CCNc1cc(Br)c(F)cc1N ZINC000157874501 197222306 /nfs/dbraw/zinc/22/23/06/197222306.db2.gz QUDVXZGTESAXPX-UHFFFAOYSA-N 1 0 320.206 2.161 10 0 DEAERO C[NH2+][C@H](Cc1cccc(C(F)(F)F)c1)[C@@H](C)S(C)(=O)=O ZINC000157711331 197209892 /nfs/dbraw/zinc/20/98/92/197209892.db2.gz CITWIAHCFFXVBC-BXKDBHETSA-N 1 0 309.353 2.269 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)CCS1 ZINC000157701993 197208514 /nfs/dbraw/zinc/20/85/14/197208514.db2.gz ORWMROGNQKCIPH-DGCLKSJQSA-N 1 0 314.476 2.222 10 0 DEAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(CC(F)(F)F)C2CC2)C1(C)C ZINC000157137762 197164974 /nfs/dbraw/zinc/16/49/74/197164974.db2.gz KWEXSKVLRJAIFF-ZWNOBZJWSA-N 1 0 308.344 2.072 10 0 DEAERO CC(C)OCCN(C)[C@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000157122431 197164171 /nfs/dbraw/zinc/16/41/71/197164171.db2.gz BBVRANBYISMMHD-CYBMUJFWSA-N 1 0 314.813 2.425 10 0 DEAERO [NH3+]Cc1ccccc1CC(=O)Nc1ncccc1Br ZINC000157109449 197163168 /nfs/dbraw/zinc/16/31/68/197163168.db2.gz WMQAHXMDGFBQJX-UHFFFAOYSA-N 1 0 320.190 2.484 10 0 DEAERO CCC[C@H](C(=O)N1CCc2c(nc(C(C)C)n2C)C1)[NH+](C)C ZINC000157013975 197155607 /nfs/dbraw/zinc/15/56/07/197155607.db2.gz DKSDEJMPGZTMJW-OAHLLOKOSA-N 1 0 306.454 2.159 10 0 DEAERO CCC[C@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)[NH+](C)C ZINC000156845770 197144843 /nfs/dbraw/zinc/14/48/43/197144843.db2.gz KVAUUHYSCTYERP-OAHLLOKOSA-N 1 0 303.406 2.248 10 0 DEAERO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000188770680 533140953 /nfs/dbraw/zinc/14/09/53/533140953.db2.gz AVUMLUWUIRUYMQ-CHWSQXEVSA-N 1 0 324.388 2.478 10 0 DEAERO Cc1ccc2ncc(C[NH2+][C@H]3CCCN(c4cccnn4)C3)n2c1 ZINC000156583558 197125797 /nfs/dbraw/zinc/12/57/97/197125797.db2.gz SVSPIVSWDYJWDY-HNNXBMFYSA-N 1 0 322.416 2.191 10 0 DEAERO Nc1cc(Br)ccc1SCC1(O)CC[NH2+]CC1 ZINC000156590573 197125828 /nfs/dbraw/zinc/12/58/28/197125828.db2.gz VFRQKDPIBBTHCE-UHFFFAOYSA-N 1 0 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315.373 2.231 10 0 DEAERO Fc1cccc(C[N@@H+]2C[C@H]3OCCN(c4cccnc4)[C@H]3C2)c1 ZINC000503717077 257209443 /nfs/dbraw/zinc/20/94/43/257209443.db2.gz PAUGOPMACXFJNP-ZWKOTPCHSA-N 1 0 313.376 2.310 10 0 DEAERO CNC(=O)CN1CCC([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000121801173 195350313 /nfs/dbraw/zinc/35/03/13/195350313.db2.gz ZXHDUKNUMQEKEC-HOTGVXAUSA-N 1 0 309.498 2.391 10 0 DEAERO CCc1cccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000121827177 195356920 /nfs/dbraw/zinc/35/69/20/195356920.db2.gz DKMVLMGHZAHOQF-MRXNPFEDSA-N 1 0 319.449 2.280 10 0 DEAERO CS(=O)(=O)c1ccccc1Nc1ccc(OCC[NH3+])cc1 ZINC000122546790 195466466 /nfs/dbraw/zinc/46/64/66/195466466.db2.gz SROJHMAETWRTFX-UHFFFAOYSA-N 1 0 306.387 2.171 10 0 DEAERO CC1(O)CCN(c2cc(Br)ccc2C(N)=[NH2+])CC1 ZINC000124264490 195621887 /nfs/dbraw/zinc/62/18/87/195621887.db2.gz ITYZPOOUCMYWGV-UHFFFAOYSA-N 1 0 312.211 2.084 10 0 DEAERO COc1ccc(CNc2nc(NN)[nH+]cc2Br)cc1 ZINC000124934171 195695381 /nfs/dbraw/zinc/69/53/81/195695381.db2.gz 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QFOFHEWPPYSOMA-ROUUACIJSA-N 1 0 316.445 2.176 10 0 DEAERO NC(=O)C1CCC([NH2+]Cc2ncc(Br)s2)CC1 ZINC000359930574 133153319 /nfs/dbraw/zinc/15/33/19/133153319.db2.gz SAGPGYJBXGMXAG-UHFFFAOYSA-N 1 0 318.240 2.039 10 0 DEAERO C[C@H]1CCOCCN1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000362003980 133204593 /nfs/dbraw/zinc/20/45/93/133204593.db2.gz NCRQESJDMMJZIC-BBRMVZONSA-N 1 0 323.412 2.249 10 0 DEAERO C[NH+]1CCC(CC(=O)NCc2ccn(-c3ccccc3)n2)CC1 ZINC000362645190 133243173 /nfs/dbraw/zinc/24/31/73/133243173.db2.gz YBCVMJGFGHJTMA-UHFFFAOYSA-N 1 0 312.417 2.220 10 0 DEAERO CC(=O)c1cc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c(C)nc1C ZINC000362762656 133249737 /nfs/dbraw/zinc/24/97/37/133249737.db2.gz LEYUPKXUAJGBSP-OAHLLOKOSA-N 1 0 315.417 2.210 10 0 DEAERO COC(=O)c1ccc(NC(=O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000373090937 133377405 /nfs/dbraw/zinc/37/74/05/133377405.db2.gz AHRYLDJEIVJJQT-UHFFFAOYSA-N 1 0 302.374 2.430 10 0 DEAERO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCCC23CCC3)c1 ZINC000373094012 133377790 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/nfs/dbraw/zinc/17/90/34/145179034.db2.gz PBWGYVPLYLSZNJ-FDRQBBGKSA-N 1 0 316.445 2.312 10 0 DEAERO CC[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]1COc2ccccc2O1 ZINC000249372172 145183007 /nfs/dbraw/zinc/18/30/07/145183007.db2.gz DCORKMQWYRVKEN-HUUCEWRRSA-N 1 0 323.433 2.324 10 0 DEAERO CC(C)C[C@@H](CO)[N@H+](C)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000249405789 145183844 /nfs/dbraw/zinc/18/38/44/145183844.db2.gz DCASTQAZVLXIAA-LSDHHAIUSA-N 1 0 320.433 2.246 10 0 DEAERO CSC[C@H](O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000249433094 145184520 /nfs/dbraw/zinc/18/45/20/145184520.db2.gz HPBABGHILGJBFM-ARFHVFGLSA-N 1 0 313.438 2.438 10 0 DEAERO CO[C@@H]1C[N@H+](CC(=O)NCc2ccc(Cl)cc2)CC[C@@H]1C ZINC000251608819 145194818 /nfs/dbraw/zinc/19/48/18/145194818.db2.gz GBNRCORDMJCMMS-SWLSCSKDSA-N 1 0 310.825 2.313 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)CC[C@H]1C ZINC000251532517 145194939 /nfs/dbraw/zinc/19/49/39/145194939.db2.gz DGNFSMCZVZMGKS-UMVBOHGHSA-N 1 0 319.405 2.080 10 0 DEAERO CO[C@@H]1C[N@H+](CC(=O)NCc2cccc(Cl)c2)CC[C@H]1C ZINC000251692847 145195428 /nfs/dbraw/zinc/19/54/28/145195428.db2.gz JNLVPAXAZOSGIS-IUODEOHRSA-N 1 0 310.825 2.313 10 0 DEAERO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000252223270 145199076 /nfs/dbraw/zinc/19/90/76/145199076.db2.gz ZPDXGXHWKHJBCC-OWCLPIDISA-N 1 0 311.470 2.365 10 0 DEAERO COC(=O)c1sc(N2CCC[N@@H+]3CCC[C@H]3C2)nc1Cl ZINC000252451539 145199290 /nfs/dbraw/zinc/19/92/90/145199290.db2.gz QISLNGIZGKLTDD-VIFPVBQESA-N 1 0 315.826 2.258 10 0 DEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc4c3OCOC4)C[C@H]12 ZINC000252880074 145200413 /nfs/dbraw/zinc/20/04/13/145200413.db2.gz SJFLDNZDZPBDMT-WKPIXPDZSA-N 1 0 309.793 2.409 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCCCn3cccn3)[C@H]2C1 ZINC000252801604 145201126 /nfs/dbraw/zinc/20/11/26/145201126.db2.gz CPEKPVBJMRTZER-IKGGRYGDSA-N 1 0 307.438 2.322 10 0 DEAERO O=c1[nH]c(CCN2CC[N@@H+]3CCCC[C@H]3C2)nc2ccccc21 ZINC000253551386 145202229 /nfs/dbraw/zinc/20/22/29/145202229.db2.gz ZTHJKWPFLTWDAE-AWEZNQCLSA-N 1 0 312.417 2.048 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000261563640 145207923 /nfs/dbraw/zinc/20/79/23/145207923.db2.gz BIOIZWBZHPKGEG-LLVKDONJSA-N 1 0 302.465 2.058 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2ccccc2Cl)CC[C@H]1[NH3+] ZINC000261567973 145208785 /nfs/dbraw/zinc/20/87/85/145208785.db2.gz IYOJFPXGEMHESO-GFCCVEGCSA-N 1 0 302.827 2.088 10 0 DEAERO C[C@H]1CCN(CC(=O)NCc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000261599162 145208933 /nfs/dbraw/zinc/20/89/33/145208933.db2.gz RWIOWXVJGGOBSA-WFASDCNBSA-N 1 0 309.841 2.015 10 0 DEAERO CSc1ccc(NC(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261603162 145209251 /nfs/dbraw/zinc/20/92/51/145209251.db2.gz AFRDWJMPMJIXGT-CQSZACIVSA-N 1 0 307.463 2.406 10 0 DEAERO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261619469 145211032 /nfs/dbraw/zinc/21/10/32/145211032.db2.gz ARYFBDNOTXVDEP-HUUCEWRRSA-N 1 0 317.433 2.447 10 0 DEAERO Cc1cccc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1Cl ZINC000261649302 145213504 /nfs/dbraw/zinc/21/35/04/145213504.db2.gz DZYWDHBYUTVMQJ-GFCCVEGCSA-N 1 0 316.854 2.396 10 0 DEAERO CN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261653229 145213972 /nfs/dbraw/zinc/21/39/72/145213972.db2.gz FOLMOYHRCPMHKL-AQDBYXPISA-N 1 0 319.493 2.382 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c(Cl)c1 ZINC000261655031 145214207 /nfs/dbraw/zinc/21/42/07/145214207.db2.gz VNBNCIXSWDMPMC-RYUDHWBXSA-N 1 0 316.854 2.396 10 0 DEAERO C[C@@H](CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)(C)C ZINC000261659687 145214418 /nfs/dbraw/zinc/21/44/18/145214418.db2.gz BAGRAXRIOGKFLL-RYUDHWBXSA-N 1 0 323.403 2.011 10 0 DEAERO CC1(C)CN(Cc2csc(-c3ncccn3)n2)CC[C@@H]1[NH3+] ZINC000261656270 145214447 /nfs/dbraw/zinc/21/44/47/145214447.db2.gz HSTZQQVWNJCGDJ-LBPRGKRZSA-N 1 0 303.435 2.159 10 0 DEAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CSc1ccc2c(c1)CCC2 ZINC000261684395 145216152 /nfs/dbraw/zinc/21/61/52/145216152.db2.gz IAFGXWZBNNPLGY-STQMWFEESA-N 1 0 304.459 2.463 10 0 DEAERO Cc1ncc(-c2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)o1 ZINC000261695662 145217588 /nfs/dbraw/zinc/21/75/88/145217588.db2.gz DLRBHCJKGSDPJS-UHFFFAOYSA-N 1 0 301.346 2.096 10 0 DEAERO C[NH2+]C1CCN(CC(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000261696472 145217866 /nfs/dbraw/zinc/21/78/66/145217866.db2.gz NTIJVFAANUXTMR-LBPRGKRZSA-N 1 0 309.841 2.201 10 0 DEAERO CCn1cc(C2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)cn1 ZINC000261708696 145219298 /nfs/dbraw/zinc/21/92/98/145219298.db2.gz JCECFSJIUDCYAV-GOEBONIOSA-N 1 0 304.438 2.127 10 0 DEAERO Cc1c(Cl)cccc1OCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261755937 145223561 /nfs/dbraw/zinc/22/35/61/145223561.db2.gz JIRNGTNJVLQCAH-OKILXGFUSA-N 1 0 322.836 2.485 10 0 DEAERO CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261770075 145224074 /nfs/dbraw/zinc/22/40/74/145224074.db2.gz MFIBDIWQUTZLNV-AWEZNQCLSA-N 1 0 314.788 2.191 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[C@H](C)C[C@H]3C[NH3+])nc21 ZINC000261767074 145224108 /nfs/dbraw/zinc/22/41/08/145224108.db2.gz KCBDAFBZYSQNCX-JSGCOSHPSA-N 1 0 314.433 2.390 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)n1 ZINC000261770839 145224428 /nfs/dbraw/zinc/22/44/28/145224428.db2.gz NBWBXFXOBVUCFC-WDMOLILDSA-N 1 0 314.389 2.482 10 0 DEAERO COCc1cnc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261773462 145225156 /nfs/dbraw/zinc/22/51/56/145225156.db2.gz SLJCQKGKSPOFGP-ZBFHGGJFSA-N 1 0 317.458 2.464 10 0 DEAERO O=C(CN1CC[NH2+]C[C@H]1c1cccc(F)c1)NC1CCCCC1 ZINC000261790334 145226891 /nfs/dbraw/zinc/22/68/91/145226891.db2.gz QBXJZOQYMLJRHP-KRWDZBQOSA-N 1 0 319.424 2.221 10 0 DEAERO Cc1ccc2ncc(CN3CC[NH2+]C[C@H]3c3cccnc3)n2c1 ZINC000261796310 145227581 /nfs/dbraw/zinc/22/75/81/145227581.db2.gz VLXBZFDECXWROV-KRWDZBQOSA-N 1 0 307.401 2.184 10 0 DEAERO COc1ccccc1[C@]1(C)C[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261805949 145228366 /nfs/dbraw/zinc/22/83/66/145228366.db2.gz RKBKEQBHIYYIJE-VYOUMLOHSA-N 1 0 302.418 2.359 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000261808548 145228924 /nfs/dbraw/zinc/22/89/24/145228924.db2.gz MJVPOXYVODLKCF-MNOVXSKESA-N 1 0 310.344 2.123 10 0 DEAERO Cc1nccn1-c1ncccc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000261810811 145229206 /nfs/dbraw/zinc/22/92/06/145229206.db2.gz GNAXVJGASYSPDT-UONOGXRCSA-N 1 0 313.405 2.422 10 0 DEAERO [NH3+]C1(C(=O)NCCSc2ccc(Cl)cc2)CCOCC1 ZINC000261814983 145229655 /nfs/dbraw/zinc/22/96/55/145229655.db2.gz JXFZBNYFYBBIRS-UHFFFAOYSA-N 1 0 314.838 2.056 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(Nc3ccccc3)nc2)CCOCC1 ZINC000261817882 145229989 /nfs/dbraw/zinc/22/99/89/145229989.db2.gz KBVWNPNMWSLFNP-UHFFFAOYSA-N 1 0 312.373 2.272 10 0 DEAERO CC(C)c1nc([C@H]2CCCN2C(=O)CC[C@H]2CC[NH2+]C2)no1 ZINC000261847428 145232968 /nfs/dbraw/zinc/23/29/68/145232968.db2.gz OLELELXFEHYUBC-QWHCGFSZSA-N 1 0 306.410 2.246 10 0 DEAERO C[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)c1ccc(Cl)s1 ZINC000261851927 145233608 /nfs/dbraw/zinc/23/36/08/145233608.db2.gz RPXFYKAJZCKQMZ-UFBFGSQYSA-N 1 0 302.827 2.333 10 0 DEAERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)C[C@H](C)[NH3+])O[C@H](C)C2 ZINC000261887148 145237584 /nfs/dbraw/zinc/23/75/84/145237584.db2.gz SOETVPPKCGLZOP-WJNVRWDZSA-N 1 0 318.417 2.118 10 0 DEAERO CCOC(=O)CN(Cc1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261906107 145240028 /nfs/dbraw/zinc/24/00/28/145240028.db2.gz XDEJTPIYZBFPQB-QGZVFWFLSA-N 1 0 308.397 2.190 10 0 DEAERO Cc1cccc(CN(C)C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000261908724 145240065 /nfs/dbraw/zinc/24/00/65/145240065.db2.gz PWJBEEYRGWKSOU-TXPKVOOTSA-N 1 0 316.445 2.486 10 0 DEAERO Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261920657 145241480 /nfs/dbraw/zinc/24/14/80/145241480.db2.gz KGEUCMOCEBBGES-KURKYZTESA-N 1 0 304.434 2.121 10 0 DEAERO [NH3+][C@H](C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F)C1CCOCC1 ZINC000261940366 145244726 /nfs/dbraw/zinc/24/47/26/145244726.db2.gz JHRRVEQQQINXQZ-AGIUHOORSA-N 1 0 322.371 2.225 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000261940032 145244790 /nfs/dbraw/zinc/24/47/90/145244790.db2.gz UQDLGVYBTCTAEJ-DBDOFBCQSA-N 1 0 314.429 2.191 10 0 DEAERO [NH3+]CC1(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)CCOCC1 ZINC000261950066 145245546 /nfs/dbraw/zinc/24/55/46/145245546.db2.gz OCWDNDCRRUDUJG-NWDGAFQWSA-N 1 0 322.371 2.227 10 0 DEAERO Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261952245 145246592 /nfs/dbraw/zinc/24/65/92/145246592.db2.gz OMQZXLNQPGOWPT-GVDBMIGSSA-N 1 0 304.434 2.121 10 0 DEAERO CC[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1cccs1 ZINC000261968772 145247565 /nfs/dbraw/zinc/24/75/65/145247565.db2.gz QHYYDSCPDVWMKQ-HZSPNIEDSA-N 1 0 318.446 2.052 10 0 DEAERO COC(=O)c1cc2cc(NC(=O)[C@H](C)C3C[NH2+]C3)ccc2o1 ZINC000262029222 145254360 /nfs/dbraw/zinc/25/43/60/145254360.db2.gz DTOPDRMVQSJIOZ-SECBINFHSA-N 1 0 302.330 2.013 10 0 DEAERO CC1(C)CN(Cc2ccc(Cl)cc2-n2cncn2)CC[C@H]1[NH3+] ZINC000262032165 145255459 /nfs/dbraw/zinc/25/54/59/145255459.db2.gz XFXYIBWBSGADAI-OAHLLOKOSA-N 1 0 319.840 2.480 10 0 DEAERO [NH3+]C1(c2noc([C@H]3CCCN3C(=O)C3CCCC3)n2)CCC1 ZINC000262046643 145256925 /nfs/dbraw/zinc/25/69/25/145256925.db2.gz ZCKPUANAANZMQD-GFCCVEGCSA-N 1 0 304.394 2.261 10 0 DEAERO COCCCOc1ccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000262078698 145259642 /nfs/dbraw/zinc/25/96/42/145259642.db2.gz SYJBZBGWYZMFJJ-MRXNPFEDSA-N 1 0 320.433 2.301 10 0 DEAERO COCCCOc1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000262078697 145259754 /nfs/dbraw/zinc/25/97/54/145259754.db2.gz SYJBZBGWYZMFJJ-INIZCTEOSA-N 1 0 320.433 2.301 10 0 DEAERO COc1ccc(C(C)=O)cc1CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262090086 145260889 /nfs/dbraw/zinc/26/08/89/145260889.db2.gz UIRRTGJAZMUMBK-MRXNPFEDSA-N 1 0 318.417 2.026 10 0 DEAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1nccn1C(F)F ZINC000262205178 145269436 /nfs/dbraw/zinc/26/94/36/145269436.db2.gz KUYHSIBXOGUWLD-CYBMUJFWSA-N 1 0 322.359 2.433 10 0 DEAERO CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000262257062 145272507 /nfs/dbraw/zinc/27/25/07/145272507.db2.gz TYMONGXTMGASSU-CXAGYDPISA-N 1 0 322.424 2.199 10 0 DEAERO CC(C)c1ccc([C@H](C)CC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262319046 145276508 /nfs/dbraw/zinc/27/65/08/145276508.db2.gz REGGDIBJFTVJLA-COXVUDFISA-N 1 0 304.434 2.000 10 0 DEAERO CCc1onc(C)c1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000262342521 145277851 /nfs/dbraw/zinc/27/78/51/145277851.db2.gz IBBLMXNITXWLFS-NSHDSACASA-N 1 0 300.362 2.009 10 0 DEAERO [NH3+]CC1(C(=O)NCC2CCC(C(F)(F)F)CC2)CCOCC1 ZINC000262386824 145280548 /nfs/dbraw/zinc/28/05/48/145280548.db2.gz XNCUNOLGBHZFHV-UHFFFAOYSA-N 1 0 322.371 2.227 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N2CC[C@H](COCc3ccccc3)C2)CC[NH2+]1 ZINC000262412618 145282006 /nfs/dbraw/zinc/28/20/06/145282006.db2.gz PNFIMUQTMBBJMH-SZMVWBNQSA-N 1 0 316.445 2.440 10 0 DEAERO O=S(=O)(c1cccc2ccccc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262460745 145285110 /nfs/dbraw/zinc/28/51/10/145285110.db2.gz IOZMPOBQQZCGFB-CABCVRRESA-N 1 0 316.426 2.355 10 0 DEAERO CN(C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(F)cc1 ZINC000262468395 145285565 /nfs/dbraw/zinc/28/55/65/145285565.db2.gz JBDZXNWZGVPNCI-CKEIUWERSA-N 1 0 306.381 2.321 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262468189 145286152 /nfs/dbraw/zinc/28/61/52/145286152.db2.gz MTYFRAPIAHIHBR-UXVLEFJLSA-N 1 0 305.422 2.259 10 0 DEAERO O=C(COc1cccc(F)c1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262473954 145286685 /nfs/dbraw/zinc/28/66/85/145286685.db2.gz YQFYFHIRQMFXAG-QGZVFWFLSA-N 1 0 314.360 2.208 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC[C@H]1[NH3+] ZINC000262509475 145289109 /nfs/dbraw/zinc/28/91/09/145289109.db2.gz MVIVEXTWMSEQCP-MRXNPFEDSA-N 1 0 322.474 2.313 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000262521329 145289778 /nfs/dbraw/zinc/28/97/78/145289778.db2.gz ZSRZJNVRDTXWBJ-AAQXDXKCSA-N 1 0 306.356 2.468 10 0 DEAERO CCOc1ccccc1NC(=O)CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000262570206 145294374 /nfs/dbraw/zinc/29/43/74/145294374.db2.gz XJTMVNKZMHCWEZ-UONOGXRCSA-N 1 0 305.422 2.083 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000262589623 145295514 /nfs/dbraw/zinc/29/55/14/145295514.db2.gz QLYSPJDSPSKRFB-WWGRRREGSA-N 1 0 315.417 2.011 10 0 DEAERO Cc1nc(C)c(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)s1 ZINC000262680894 145300377 /nfs/dbraw/zinc/30/03/77/145300377.db2.gz XIFMGDZWNFOZLB-MCIONIFRSA-N 1 0 307.463 2.339 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000262697218 145300656 /nfs/dbraw/zinc/30/06/56/145300656.db2.gz ABDRJCRVHDVVMV-SMDDNHRTSA-N 1 0 318.808 2.254 10 0 DEAERO Cc1csc(C2(NC(=O)C[C@@H]3CSCC[NH2+]3)CCC2)n1 ZINC000262745080 145302906 /nfs/dbraw/zinc/30/29/06/145302906.db2.gz FSCSXUPANUAWFX-LLVKDONJSA-N 1 0 311.476 2.042 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(C(C)(C)Cc2ccccc2)n1 ZINC000263155689 145330446 /nfs/dbraw/zinc/33/04/46/145330446.db2.gz DJIHMTPLZODILT-AWEZNQCLSA-N 1 0 300.406 2.166 10 0 DEAERO C[C@H]1CCc2sc(-c3nc([C@H]4C[NH2+]CCN4C)no3)cc2C1 ZINC000263200639 145335387 /nfs/dbraw/zinc/33/53/87/145335387.db2.gz JAIRNQIPVDRXMR-CMPLNLGQSA-N 1 0 318.446 2.499 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(OC(C)(C)C)cc2)n1 ZINC000263211756 145336467 /nfs/dbraw/zinc/33/64/67/145336467.db2.gz KIOGRQBHVFDFJQ-CQSZACIVSA-N 1 0 316.405 2.490 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2CO)CC1 ZINC000304626639 145340030 /nfs/dbraw/zinc/34/00/30/145340030.db2.gz NAUGEMGPLGGMSX-HIFRSBDPSA-N 1 0 311.470 2.100 10 0 DEAERO CCOc1c(F)cccc1C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000346700405 146127458 /nfs/dbraw/zinc/12/74/58/146127458.db2.gz PROVVAHELLSTIG-STQMWFEESA-N 1 0 324.396 2.016 10 0 DEAERO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000348310669 146253478 /nfs/dbraw/zinc/25/34/78/146253478.db2.gz OGSRMLMFMPTRHU-KSSFIOAISA-N 1 0 316.445 2.471 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc2nccnc21 ZINC000358365068 147121056 /nfs/dbraw/zinc/12/10/56/147121056.db2.gz ZDGBAIQMWSEHGF-ZDUSSCGKSA-N 1 0 300.406 2.480 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2C[S@@](C)=O)C1 ZINC000358487731 147143024 /nfs/dbraw/zinc/14/30/24/147143024.db2.gz QZOSQGXRGNFNSW-WHEQGISXSA-N 1 0 323.462 2.028 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(Cc2ccccn2)C2CC2)CC1 ZINC000358657658 147175337 /nfs/dbraw/zinc/17/53/37/147175337.db2.gz DCBHWTLGWDHKJK-UHFFFAOYSA-N 1 0 314.433 2.408 10 0 DEAERO COCCC1(C)CN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000359191321 147279475 /nfs/dbraw/zinc/27/94/75/147279475.db2.gz IMEOBBVETFYUML-HNNXBMFYSA-N 1 0 311.470 2.319 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2cnn3ccccc23)CC1 ZINC000359498588 147338077 /nfs/dbraw/zinc/33/80/77/147338077.db2.gz XXUYKVUZHMPYFV-UHFFFAOYSA-N 1 0 300.406 2.186 10 0 DEAERO CC[C@H](C)[NH2+][C@H](CNC(=O)Cn1nc(C)cc1C)c1ccco1 ZINC000359536800 147346216 /nfs/dbraw/zinc/34/62/16/147346216.db2.gz KOZSZTROZKRKQC-SWLSCSKDSA-N 1 0 318.421 2.339 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360702383 147369854 /nfs/dbraw/zinc/36/98/54/147369854.db2.gz TZJXMTRTCDPCMB-HNNXBMFYSA-N 1 0 315.421 2.189 10 0 DEAERO CCCc1occc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000374232264 148220626 /nfs/dbraw/zinc/22/06/26/148220626.db2.gz RUOFNJLGUHGBEW-CQSZACIVSA-N 1 0 306.406 2.215 10 0 DEAERO Cc1oc(-c2cccs2)nc1CN1CCN2CCOC[C@@H]2C1 ZINC000375236417 148346024 /nfs/dbraw/zinc/34/60/24/148346024.db2.gz GBIAAZSFFBQLAL-ZDUSSCGKSA-N 1 0 319.430 2.228 10 0 DEAERO c1cc(CN2CCN(Cc3cc[nH]n3)[C@H](c3ccccc3)C2)n[nH]1 ZINC000565877109 292188134 /nfs/dbraw/zinc/18/81/34/292188134.db2.gz GUCNCXOBPDRGAJ-SFHVURJKSA-N 1 0 322.416 2.192 10 0 DEAERO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000111684425 401720738 /nfs/dbraw/zinc/72/07/38/401720738.db2.gz HKQXJWALNFHBPQ-DOTOQJQBSA-N 1 0 302.418 2.115 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC1=CCCCC1 ZINC000111785525 401723386 /nfs/dbraw/zinc/72/33/86/401723386.db2.gz HTTUYWGXWMOGKR-INIZCTEOSA-N 1 0 309.454 2.287 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000073896257 401724353 /nfs/dbraw/zinc/72/43/53/401724353.db2.gz LLERNUWBHSHDTM-CZUORRHYSA-N 1 0 315.417 2.107 10 0 DEAERO CCC(CC)[C@H](O)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000111826630 401724767 /nfs/dbraw/zinc/72/47/67/401724767.db2.gz WUHVVOFGORXEPP-LSDHHAIUSA-N 1 0 301.475 2.059 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1c2ccccc2C[C@H]1C ZINC000111865944 401726436 /nfs/dbraw/zinc/72/64/36/401726436.db2.gz XYQCVSQGDYWPOY-GDBMZVCRSA-N 1 0 317.433 2.258 10 0 DEAERO C[C@@H](Cc1ccccc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000112042724 401729665 /nfs/dbraw/zinc/72/96/65/401729665.db2.gz OFVYNZOXUHHVEZ-INIZCTEOSA-N 1 0 304.434 2.094 10 0 DEAERO C[C@H](Cc1ccccc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000112042725 401729906 /nfs/dbraw/zinc/72/99/06/401729906.db2.gz OFVYNZOXUHHVEZ-MRXNPFEDSA-N 1 0 304.434 2.094 10 0 DEAERO Fc1cc(C[NH2+]CCN2CCOCC2)ccc1Br ZINC000127354105 401730571 /nfs/dbraw/zinc/73/05/71/401730571.db2.gz NSHDSSPOXVXJKX-UHFFFAOYSA-N 1 0 317.202 2.010 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)C3CC3)cc2)CC1 ZINC000074196521 401732948 /nfs/dbraw/zinc/73/29/48/401732948.db2.gz GWTPTAOMCAYKIA-CQSZACIVSA-N 1 0 301.434 2.357 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2F)CC1)C(C)(C)C ZINC000074317806 401735050 /nfs/dbraw/zinc/73/50/50/401735050.db2.gz OUDKZUVJRMOKKV-CQSZACIVSA-N 1 0 321.440 2.499 10 0 DEAERO C[C@@H]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112279707 401735580 /nfs/dbraw/zinc/73/55/80/401735580.db2.gz RZILGCKUDOALLI-OAHLLOKOSA-N 1 0 316.449 2.096 10 0 DEAERO Cc1nn(C)c(C)c1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000112337602 401739597 /nfs/dbraw/zinc/73/95/97/401739597.db2.gz DJOPEMDHSQSTMI-UHFFFAOYSA-N 1 0 324.432 2.459 10 0 DEAERO COCCN(CC(C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792220 401744128 /nfs/dbraw/zinc/74/41/28/401744128.db2.gz OKGMAMHONPIVKV-MQVJKMGUSA-N 1 0 311.470 2.316 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cncc(Br)c2)C1 ZINC000126417272 401693155 /nfs/dbraw/zinc/69/31/55/401693155.db2.gz YRJKSRIMVXBURZ-LLVKDONJSA-N 1 0 313.199 2.012 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000126557135 401699554 /nfs/dbraw/zinc/69/95/54/401699554.db2.gz HBVAODZFQNEIDV-PBHICJAKSA-N 1 0 317.433 2.335 10 0 DEAERO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3C[C@H]3C)cc2)CC1 ZINC000072094588 401703644 /nfs/dbraw/zinc/70/36/44/401703644.db2.gz WYPZUWOKMSEQFQ-RHSMWYFYSA-N 1 0 301.434 2.355 10 0 DEAERO O[C@@H](C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccc(F)cc1 ZINC000111302420 401710167 /nfs/dbraw/zinc/71/01/67/401710167.db2.gz HKPAHDBHAIYYDQ-MSOLQXFVSA-N 1 0 322.424 2.046 10 0 DEAERO Fc1ccc(Br)c(C[NH2+]CCCn2ccnn2)c1 ZINC000126886375 401711836 /nfs/dbraw/zinc/71/18/36/401711836.db2.gz HUULSTMQKGCIDK-UHFFFAOYSA-N 1 0 313.174 2.360 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1nc(C2CC2)cs1 ZINC000111413557 401715153 /nfs/dbraw/zinc/71/51/53/401715153.db2.gz GRLBXWKCJDJIHH-GFCCVEGCSA-N 1 0 324.450 2.253 10 0 DEAERO CCC(CC)[C@H](O)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000111655254 401719813 /nfs/dbraw/zinc/71/98/13/401719813.db2.gz CENPJOCUQMIVNG-IAGOWNOFSA-N 1 0 306.450 2.073 10 0 DEAERO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)NC(C1CC1)C1CC1 ZINC000129090299 401798669 /nfs/dbraw/zinc/79/86/69/401798669.db2.gz UPIBLYFFJQQDPB-CVEARBPZSA-N 1 0 316.449 2.261 10 0 DEAERO CCC(CC)CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000129099448 401798909 /nfs/dbraw/zinc/79/89/09/401798909.db2.gz DVISJODJIRKKGG-QGZVFWFLSA-N 1 0 309.498 2.441 10 0 DEAERO C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129547280 401805648 /nfs/dbraw/zinc/80/56/48/401805648.db2.gz OBNPMBFDTFXZQF-ZIAGYGMSSA-N 1 0 322.453 2.082 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)C1([NH3+])CCOCC1 ZINC000127803427 401751142 /nfs/dbraw/zinc/75/11/42/401751142.db2.gz XBFDVZALSFBWEO-UHFFFAOYSA-N 1 0 302.827 2.258 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCOCC(C)C)[C@H](C)C1 ZINC000128069798 401761413 /nfs/dbraw/zinc/76/14/13/401761413.db2.gz ZEESSSWMWYDMQK-CVEARBPZSA-N 1 0 313.486 2.421 10 0 DEAERO Cc1noc([C@H]2CCC[N@H+](C[C@](C)(O)c3ccccc3)C2)n1 ZINC000075827427 401769666 /nfs/dbraw/zinc/76/96/66/401769666.db2.gz BJZUDDIHMQQKIX-YOEHRIQHSA-N 1 0 301.390 2.465 10 0 DEAERO CCOc1ncc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1Cl ZINC000113222467 401770310 /nfs/dbraw/zinc/77/03/10/401770310.db2.gz QDRPFFRPPULLGQ-WCQYABFASA-N 1 0 323.824 2.442 10 0 DEAERO Cc1ccc(O[C@H](C)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113226778 401770856 /nfs/dbraw/zinc/77/08/56/401770856.db2.gz NLJUVLKUAFRQHZ-ARFHVFGLSA-N 1 0 302.418 2.457 10 0 DEAERO Fc1ccc2c(c1)[nH+]ccc2N1CCN(c2cccnn2)CC1 ZINC000113247229 401772346 /nfs/dbraw/zinc/77/23/46/401772346.db2.gz LHVZOWAJRLZLCV-UHFFFAOYSA-N 1 0 309.348 2.491 10 0 DEAERO Cc1nn(C)c2sc(C(=O)N3CCC([NH+](C)C)CC3)cc12 ZINC000075873660 401772575 /nfs/dbraw/zinc/77/25/75/401772575.db2.gz RRDUMQLRMWGVFE-UHFFFAOYSA-N 1 0 306.435 2.109 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)NCC1CCCCC1 ZINC000113269061 401773825 /nfs/dbraw/zinc/77/38/25/401773825.db2.gz LGJJGJKMGWSXIG-NVXWUHKLSA-N 1 0 307.482 2.242 10 0 DEAERO Cc1ccccc1CN(C)C(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113267277 401774000 /nfs/dbraw/zinc/77/40/00/401774000.db2.gz GXEBRRHSHNUWRV-WMZOPIPTSA-N 1 0 315.461 2.122 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(F)ccc1F ZINC000113271259 401774540 /nfs/dbraw/zinc/77/45/40/401774540.db2.gz JOQPEJPZIYAPFF-DGCLKSJQSA-N 1 0 309.360 2.072 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CC1CCCCC1 ZINC000113305825 401776333 /nfs/dbraw/zinc/77/63/33/401776333.db2.gz TVJDGKAOLWNPFD-DZGCQCFKSA-N 1 0 300.468 2.065 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccon2)CC1 ZINC000128533702 401781548 /nfs/dbraw/zinc/78/15/48/401781548.db2.gz VXBZZFILZVKRHS-UHFFFAOYSA-N 1 0 300.362 2.069 10 0 DEAERO CC(C)c1ccccc1OC[C@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000113513796 401781627 /nfs/dbraw/zinc/78/16/27/401781627.db2.gz LAJPAXHLENBZJJ-IAGOWNOFSA-N 1 0 320.477 2.433 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1noc(-c2ccsc2)n1 ZINC000113518470 401781759 /nfs/dbraw/zinc/78/17/59/401781759.db2.gz ROPMDXFRDRDSIH-DGCLKSJQSA-N 1 0 304.419 2.467 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc(OC)n1 ZINC000113608299 401783890 /nfs/dbraw/zinc/78/38/90/401783890.db2.gz MIUZZCMHLDYNJI-OAHLLOKOSA-N 1 0 320.437 2.154 10 0 DEAERO C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nccs3)C2)CC1 ZINC000114819219 401811151 /nfs/dbraw/zinc/81/11/51/401811151.db2.gz ZEQRPJUYDHBWCH-GFCCVEGCSA-N 1 0 308.451 2.126 10 0 DEAERO CCOCCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000132618964 401870546 /nfs/dbraw/zinc/87/05/46/401870546.db2.gz GDOZBXDKMZDREL-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO CSC[C@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000077572372 401820907 /nfs/dbraw/zinc/82/09/07/401820907.db2.gz ZPUSYXICWFKHGQ-DZGCQCFKSA-N 1 0 309.479 2.210 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C2CCOCC2)[C@H](C)C1 ZINC000130203597 401822220 /nfs/dbraw/zinc/82/22/20/401822220.db2.gz VEZJZAHOCINRPI-YCPHGPKFSA-N 1 0 311.470 2.173 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(C(C)(C)C)nn1C ZINC000077639391 401823164 /nfs/dbraw/zinc/82/31/64/401823164.db2.gz QOQAOZHVBCKKCE-CYBMUJFWSA-N 1 0 306.454 2.322 10 0 DEAERO CC(C)(CNC(=O)NC[C@H]1CCCC[C@H]1O)[NH+]1CCCCC1 ZINC000077753382 401828780 /nfs/dbraw/zinc/82/87/80/401828780.db2.gz HEECTJHOLOODLY-HUUCEWRRSA-N 1 0 311.470 2.101 10 0 DEAERO CC[NH+](CC)CCNS(=O)(=O)c1c(F)cccc1Cl ZINC000130862970 401839976 /nfs/dbraw/zinc/83/99/76/401839976.db2.gz AKBSIVINIBUWMG-UHFFFAOYSA-N 1 0 308.806 2.099 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](CC(=O)NCCC3CCCCC3)C2)cn1 ZINC000116309921 401848348 /nfs/dbraw/zinc/84/83/48/401848348.db2.gz CZFAEJOLMCFSSO-INIZCTEOSA-N 1 0 318.465 2.296 10 0 DEAERO CCN(C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1)C1CCCCC1 ZINC000116317948 401849063 /nfs/dbraw/zinc/84/90/63/401849063.db2.gz XBIHBRHGWNVISN-HNNXBMFYSA-N 1 0 318.465 2.391 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3F)C2)cn1 ZINC000116314231 401849441 /nfs/dbraw/zinc/84/94/41/401849441.db2.gz UNDNVEQCEBBDAQ-CYBMUJFWSA-N 1 0 316.380 2.377 10 0 DEAERO C[NH+](C)CCn1ccc(NC(=O)Cc2cnc3ccccc3c2)n1 ZINC000131405862 401849677 /nfs/dbraw/zinc/84/96/77/401849677.db2.gz GNKNIWANPRYYRT-UHFFFAOYSA-N 1 0 323.400 2.174 10 0 DEAERO CO[C@@]12CCC(=O)C[C@@]13CC[N@H+](C)[C@@H]2Cc1cccc(O)c13 ZINC000029334780 401855958 /nfs/dbraw/zinc/85/59/58/401855958.db2.gz ISYGHNUANOXWEZ-KBAYOESNSA-N 1 0 301.386 2.028 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000116796179 401859032 /nfs/dbraw/zinc/85/90/32/401859032.db2.gz UJPNTPVVVNAHJQ-NSHDSACASA-N 1 0 317.216 2.396 10 0 DEAERO Cc1cccc([C@@H](C)NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1C ZINC000117052187 401867773 /nfs/dbraw/zinc/86/77/73/401867773.db2.gz JUYQILAJYXFOEY-CVEARBPZSA-N 1 0 319.449 2.336 10 0 DEAERO COCCOc1ccc(CNC(=O)C[N@@H+]2CCCC2(C)C)cc1 ZINC000077382968 401813511 /nfs/dbraw/zinc/81/35/11/401813511.db2.gz PNJGDMBIPASIMF-UHFFFAOYSA-N 1 0 320.433 2.202 10 0 DEAERO CC(C)Cc1ncc(CN2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000130020037 401815224 /nfs/dbraw/zinc/81/52/24/401815224.db2.gz KNOAWZVVUGXGIA-UHFFFAOYSA-N 1 0 311.495 2.230 10 0 DEAERO CC[C@H]1CN(CCCc2cccc(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000119147707 401929515 /nfs/dbraw/zinc/92/95/15/401929515.db2.gz BNFIAMSOLBZVQA-AEFFLSMTSA-N 1 0 320.477 2.405 10 0 DEAERO CC[C@H]1CCCCCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000119198706 401932337 /nfs/dbraw/zinc/93/23/37/401932337.db2.gz VCLUFRJTKDKSID-KRWDZBQOSA-N 1 0 324.513 2.377 10 0 DEAERO CC[C@H]1CN(C(=O)[C@@H](C)Cc2ccccc2)CC[N@@H+]1CCOC ZINC000117308376 401874274 /nfs/dbraw/zinc/87/42/74/401874274.db2.gz LLDQQPHMCKLEMJ-WMZOPIPTSA-N 1 0 318.461 2.434 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Nn1cnc2ccccc21 ZINC000079496080 401874427 /nfs/dbraw/zinc/87/44/27/401874427.db2.gz VCOIDJNZFGVSPV-ZDUSSCGKSA-N 1 0 303.410 2.266 10 0 DEAERO CCOc1c(F)cccc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000079829204 401881489 /nfs/dbraw/zinc/88/14/89/401881489.db2.gz FYIXCIYJQRXONM-UHFFFAOYSA-N 1 0 320.368 2.235 10 0 DEAERO C[C@]1(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCO1 ZINC000133355609 401883240 /nfs/dbraw/zinc/88/32/40/401883240.db2.gz PMWZWAZIIUACTF-QGZVFWFLSA-N 1 0 309.454 2.073 10 0 DEAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000079922012 401883607 /nfs/dbraw/zinc/88/36/07/401883607.db2.gz QDUDXNCGICNGED-CZUORRHYSA-N 1 0 320.433 2.431 10 0 DEAERO CC(C)CN(CC(C)C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000079999317 401885690 /nfs/dbraw/zinc/88/56/90/401885690.db2.gz CMDVFYBBIDZNPM-UHFFFAOYSA-N 1 0 313.486 2.422 10 0 DEAERO CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@H](C)CC[C@@H]2C)CC1 ZINC000080434001 401889478 /nfs/dbraw/zinc/88/94/78/401889478.db2.gz VYQSFPDJMRIYJR-ZACQAIPSSA-N 1 0 324.513 2.090 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000133609706 401892419 /nfs/dbraw/zinc/89/24/19/401892419.db2.gz ARGISAGQQGUOCF-HOTGVXAUSA-N 1 0 309.454 2.073 10 0 DEAERO CC(C)(C)OC[C@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000034255405 401892718 /nfs/dbraw/zinc/89/27/18/401892718.db2.gz BOJOZWKSQMAMSF-MRXNPFEDSA-N 1 0 307.434 2.146 10 0 DEAERO CC[NH+](CC)CCOc1ccc(NC(=O)NCC[C@@H](C)O)cc1 ZINC000118545934 401900222 /nfs/dbraw/zinc/90/02/22/401900222.db2.gz JYHVHXQJLGMURG-CQSZACIVSA-N 1 0 323.437 2.300 10 0 DEAERO COc1cccc(C[N@H+](C[C@@H](O)COC(C)C)C2CC2)c1OC ZINC000036103693 401902386 /nfs/dbraw/zinc/90/23/86/401902386.db2.gz FWJUMCVGQXTLPS-MRXNPFEDSA-N 1 0 323.433 2.454 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(F)cc2Cl)CCO1 ZINC000118789987 401908000 /nfs/dbraw/zinc/90/80/00/401908000.db2.gz UXEVSXBZBWAQAD-NSHDSACASA-N 1 0 315.776 2.273 10 0 DEAERO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(S(N)(=O)=O)cc1 ZINC000036954912 401908746 /nfs/dbraw/zinc/90/87/46/401908746.db2.gz CFYYGXNWYVVEQB-RYUDHWBXSA-N 1 0 305.403 2.141 10 0 DEAERO [NH3+]CCC(=O)Nc1ccc(I)cc1Cl ZINC000037045425 401909936 /nfs/dbraw/zinc/90/99/36/401909936.db2.gz BFDYVITTXDZOFN-UHFFFAOYSA-N 1 0 324.549 2.232 10 0 DEAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)[C@H]2CCO[C@@H]21 ZINC000085635205 401917826 /nfs/dbraw/zinc/91/78/26/401917826.db2.gz YXHFQQXSRNNLMT-LOWDOPEQSA-N 1 0 306.372 2.274 10 0 DEAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC(=O)NC(C)(C)C ZINC000119008432 401919170 /nfs/dbraw/zinc/91/91/70/401919170.db2.gz QFDFPFGYRYZKDJ-UHFFFAOYSA-N 1 0 305.466 2.401 10 0 DEAERO Cc1ccc(CC[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000135685822 401950678 /nfs/dbraw/zinc/95/06/78/401950678.db2.gz KNTPNVHBRUSSID-QGZVFWFLSA-N 1 0 322.474 2.037 10 0 DEAERO COc1ccccc1NCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119502346 401955135 /nfs/dbraw/zinc/95/51/35/401955135.db2.gz CZWNSPXIDZHEAL-OAHLLOKOSA-N 1 0 319.449 2.344 10 0 DEAERO C[C@@H](NC(=O)N1CCC[C@@H]1c1cnn(C)c1)C(C)(C)C[NH+](C)C ZINC000119553045 401958458 /nfs/dbraw/zinc/95/84/58/401958458.db2.gz QDEIQJDBWVJVHK-UKRRQHHQSA-N 1 0 321.469 2.243 10 0 DEAERO CC(C)c1ncc(Cl)c(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)n1 ZINC000089710345 401958588 /nfs/dbraw/zinc/95/85/88/401958588.db2.gz SZSZJVMYBCLQEJ-JQWIXIFHSA-N 1 0 310.829 2.276 10 0 DEAERO CCN(CCc1nccs1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119703195 401963331 /nfs/dbraw/zinc/96/33/31/401963331.db2.gz SMALIIKGKUMGSD-CYBMUJFWSA-N 1 0 322.478 2.201 10 0 DEAERO C[C@H](C[N@@H+]1CCSC2(CCCCC2)C1)CS(C)(=O)=O ZINC000119686707 401963363 /nfs/dbraw/zinc/96/33/63/401963363.db2.gz MHZDVSMZGHAVSG-CYBMUJFWSA-N 1 0 305.509 2.419 10 0 DEAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccccc2O)C1 ZINC000119760221 401965582 /nfs/dbraw/zinc/96/55/82/401965582.db2.gz VTENFLJIUFVWRK-HNNXBMFYSA-N 1 0 304.434 2.419 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCc3ccc(F)cc3C2)C1 ZINC000136522768 401968867 /nfs/dbraw/zinc/96/88/67/401968867.db2.gz AMLLVEUIXSBOPJ-INIZCTEOSA-N 1 0 305.397 2.378 10 0 DEAERO C[C@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCCO1 ZINC000046313465 401969068 /nfs/dbraw/zinc/96/90/68/401969068.db2.gz KJGYDGPDAMBXLG-BPUTZDHNSA-N 1 0 311.470 2.364 10 0 DEAERO CCN(CCc1nccs1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000119954957 401972814 /nfs/dbraw/zinc/97/28/14/401972814.db2.gz DFVWVZZRVYSAOJ-QWHCGFSZSA-N 1 0 322.478 2.342 10 0 DEAERO C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000136968657 401976809 /nfs/dbraw/zinc/97/68/09/401976809.db2.gz ZUTWQXQXXWZFRH-ZBFHGGJFSA-N 1 0 309.454 2.214 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC000137111461 401979125 /nfs/dbraw/zinc/97/91/25/401979125.db2.gz LBCIXODEBOHKAJ-IRXDYDNUSA-N 1 0 305.466 2.382 10 0 DEAERO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccccc2)CC1 ZINC000047270977 401980330 /nfs/dbraw/zinc/98/03/30/401980330.db2.gz QYDULXKWAYYQTO-OAHLLOKOSA-N 1 0 304.438 2.082 10 0 DEAERO COc1ccc(NC(=O)c2ccccc2OCC[NH+](C)C)cn1 ZINC000047295267 401980790 /nfs/dbraw/zinc/98/07/90/401980790.db2.gz ZVALQDGUAOTSGT-UHFFFAOYSA-N 1 0 315.373 2.283 10 0 DEAERO COc1cc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)ccc1F ZINC000090182959 401981017 /nfs/dbraw/zinc/98/10/17/401981017.db2.gz DZCMGVCRWNYCNG-LLVKDONJSA-N 1 0 315.410 2.310 10 0 DEAERO Cc1nc(CCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)sc1C ZINC000120697156 401999035 /nfs/dbraw/zinc/99/90/35/401999035.db2.gz OZKLBNWRHOOGKI-RISCZKNCSA-N 1 0 324.494 2.427 10 0 DEAERO [NH3+]C1(CNc2ccc(I)cn2)CCCC1 ZINC000144433057 401990915 /nfs/dbraw/zinc/99/09/15/401990915.db2.gz KKOHRORXBUANDZ-UHFFFAOYSA-N 1 0 317.174 2.370 10 0 DEAERO Cc1ccc([C@H](C)[N@H+](C)CCn2nc3ccccn3c2=O)cc1 ZINC000047965069 401991224 /nfs/dbraw/zinc/99/12/24/401991224.db2.gz KKSQFRRSUPRBOK-HNNXBMFYSA-N 1 0 310.401 2.497 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C)c(C(F)(F)F)c2)C1 ZINC000044270647 401941147 /nfs/dbraw/zinc/94/11/47/401941147.db2.gz BHFAAXYDEQBGRX-ZYHUDNBSSA-N 1 0 302.296 2.329 10 0 DEAERO C[C@H](Oc1cccc(CO)c1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000119400968 401947625 /nfs/dbraw/zinc/94/76/25/401947625.db2.gz AQOXDLBIFUSFRN-KBPBESRZSA-N 1 0 322.449 2.039 10 0 DEAERO CCC[C@H](C(=O)NC[C@H](C)N1CCc2sccc2C1)[NH+](C)C ZINC000135635706 401948879 /nfs/dbraw/zinc/94/88/79/401948879.db2.gz RQFIIIDGELAAAR-DZGCQCFKSA-N 1 0 323.506 2.341 10 0 DEAERO CCc1nnsc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049072963 402011692 /nfs/dbraw/zinc/01/16/92/402011692.db2.gz DCKGOIQSKQRXGE-UHFFFAOYSA-N 1 0 308.451 2.049 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)ccc1F ZINC000049096017 402012360 /nfs/dbraw/zinc/01/23/60/402012360.db2.gz PFKQYYLFFBZYDW-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049129407 402013321 /nfs/dbraw/zinc/01/33/21/402013321.db2.gz FYLFDKPYFNOEST-SFYZADRCSA-N 1 0 303.815 2.286 10 0 DEAERO CC1CC[NH+](C[C@H]2CCCN(C[C@H](O)C(F)(F)F)C2)CC1 ZINC000121132395 402017028 /nfs/dbraw/zinc/01/70/28/402017028.db2.gz HKDIKSXIBZMUBN-KGLIPLIRSA-N 1 0 308.388 2.354 10 0 DEAERO Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](c4cnn(C)c4)C3)C2=O)cc1 ZINC000121197439 402019971 /nfs/dbraw/zinc/01/99/71/402019971.db2.gz HWHDNTQGJBOUHI-MAUKXSAKSA-N 1 0 324.428 2.323 10 0 DEAERO COc1ccccc1/C=C/CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000093817731 402021158 /nfs/dbraw/zinc/02/11/58/402021158.db2.gz VBZRDYKBDJPCEL-YXMMZVCTSA-N 1 0 316.445 2.363 10 0 DEAERO CC(C)[C@H](CNC(=O)Nc1ccccc1)[NH+]1CCN(C)CC1 ZINC000049736856 402021212 /nfs/dbraw/zinc/02/12/12/402021212.db2.gz DKNGEKKWXCEPCZ-INIZCTEOSA-N 1 0 304.438 2.080 10 0 DEAERO COc1cccc(C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)C2CC2)c1 ZINC000121404855 402033617 /nfs/dbraw/zinc/03/36/17/402033617.db2.gz AWVNZZMFKNEJJM-DOTOQJQBSA-N 1 0 302.418 2.227 10 0 DEAERO CCc1ccc(CC(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)cc1 ZINC000121416870 402034575 /nfs/dbraw/zinc/03/45/75/402034575.db2.gz UCASLTHRBSDDMB-GOSISDBHSA-N 1 0 318.461 2.361 10 0 DEAERO CCN(C[C@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1)CC(F)(F)F ZINC000121423074 402035230 /nfs/dbraw/zinc/03/52/30/402035230.db2.gz LSRMXCXLMRLMES-ZJUUUORDSA-N 1 0 322.293 2.116 10 0 DEAERO COc1ccc(OC)c(CN(C(=O)C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000151423167 402035633 /nfs/dbraw/zinc/03/56/33/402035633.db2.gz TVLQKUDSVCAPII-AWEZNQCLSA-N 1 0 318.417 2.337 10 0 DEAERO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151546976 402042677 /nfs/dbraw/zinc/04/26/77/402042677.db2.gz GJYPICMPQYOKFL-HNNXBMFYSA-N 1 0 308.389 2.168 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCOc2ccc(C)cc2)C1 ZINC000052498136 402042996 /nfs/dbraw/zinc/04/29/96/402042996.db2.gz SWIHOJHXUONJIJ-OAHLLOKOSA-N 1 0 305.422 2.157 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(OC(C)C)nc2)C1 ZINC000052527183 402043950 /nfs/dbraw/zinc/04/39/50/402043950.db2.gz ZJEYIZJMOQOLGK-HNNXBMFYSA-N 1 0 320.437 2.152 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCOc2ccccc2C)C1 ZINC000052593449 402044292 /nfs/dbraw/zinc/04/42/92/402044292.db2.gz KQTPTXDLVVXEHH-MRXNPFEDSA-N 1 0 319.449 2.500 10 0 DEAERO CCCn1cc(CN2CCC[N@H+](CC3=CCCOC3)CC2)cn1 ZINC000121681189 402048009 /nfs/dbraw/zinc/04/80/09/402048009.db2.gz BJZCOVSGGPYMIJ-UHFFFAOYSA-N 1 0 318.465 2.148 10 0 DEAERO Cn1ccnc1-c1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000150867246 402001565 /nfs/dbraw/zinc/00/15/65/402001565.db2.gz OEYBLGMEHQIVSI-OAHLLOKOSA-N 1 0 313.405 2.255 10 0 DEAERO Cn1c(N)n[n+]2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000048564636 402002039 /nfs/dbraw/zinc/00/20/39/402002039.db2.gz QZWAEUFBMJQJRW-UHFFFAOYSA-N 1 0 302.361 2.470 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000151817329 402058510 /nfs/dbraw/zinc/05/85/10/402058510.db2.gz IARLFILKQYDICR-BZPMIXESSA-N 1 0 321.446 2.303 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)CSCC(=O)c1ccccc1 ZINC000121018007 402010601 /nfs/dbraw/zinc/01/06/01/402010601.db2.gz BJCQPFQMABMSDC-CQSZACIVSA-N 1 0 322.474 2.449 10 0 DEAERO COC(=O)[C@H](C)[C@H]([NH2+]CCC(=O)NC(C)C)c1ccccc1 ZINC000152095296 402075429 /nfs/dbraw/zinc/07/54/29/402075429.db2.gz HZPHAGUGZQODFR-CJNGLKHVSA-N 1 0 306.406 2.041 10 0 DEAERO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)on1 ZINC000055375962 402081385 /nfs/dbraw/zinc/08/13/85/402081385.db2.gz XVUSVBNCTHGQKX-GHMZBOCLSA-N 1 0 317.345 2.390 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000152323444 402089320 /nfs/dbraw/zinc/08/93/20/402089320.db2.gz QHSFTQCUSSHUDZ-WCQYABFASA-N 1 0 323.824 2.302 10 0 DEAERO C[C@@H](Cc1ccc(O)cc1)NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000056770092 402090497 /nfs/dbraw/zinc/09/04/97/402090497.db2.gz UCTZZJWVQTYUSB-GJZGRUSLSA-N 1 0 319.449 2.497 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000122944490 402102934 /nfs/dbraw/zinc/10/29/34/402102934.db2.gz CZXAEIFPHNPUSO-CYBMUJFWSA-N 1 0 318.446 2.443 10 0 DEAERO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1cscn1 ZINC000123022626 402106339 /nfs/dbraw/zinc/10/63/39/402106339.db2.gz DRZNJNBKJNXPKW-UHFFFAOYSA-N 1 0 308.407 2.010 10 0 DEAERO COc1cccc2c1CC[C@H]2NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000123104281 402110660 /nfs/dbraw/zinc/11/06/60/402110660.db2.gz LNBIBQLZVWSNEQ-SWLSCSKDSA-N 1 0 303.406 2.076 10 0 DEAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000123325354 402122113 /nfs/dbraw/zinc/12/21/13/402122113.db2.gz YIZRAGOQHJUPKH-WMLDXEAASA-N 1 0 317.433 2.253 10 0 DEAERO CC[C@](C)(O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000123232622 402117132 /nfs/dbraw/zinc/11/71/32/402117132.db2.gz DGLKUFULBLHCMH-KRWDZBQOSA-N 1 0 306.406 2.204 10 0 DEAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000123242064 402117519 /nfs/dbraw/zinc/11/75/19/402117519.db2.gz BGBSYQYMZVYBKP-IUCAKERBSA-N 1 0 316.195 2.284 10 0 DEAERO CC(=O)Nc1ccc(F)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123257724 402118240 /nfs/dbraw/zinc/11/82/40/402118240.db2.gz JLJPNLOBWWPCSJ-FZMZJTMJSA-N 1 0 321.396 2.339 10 0 DEAERO C[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)CN1CCOCC1 ZINC000153255947 402136146 /nfs/dbraw/zinc/13/61/46/402136146.db2.gz ABVZKJYJIHJDRM-ZCCHDVMBSA-N 1 0 324.490 2.043 10 0 DEAERO C[C@]1(C(=O)NCCCN2CCOCC2)CCCc2ccccc21 ZINC000101627864 402151933 /nfs/dbraw/zinc/15/19/33/402151933.db2.gz YLOFKOKCCSVDFF-IBGZPJMESA-N 1 0 316.445 2.119 10 0 DEAERO COCCCOc1cccc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c1 ZINC000153945682 402182580 /nfs/dbraw/zinc/18/25/80/402182580.db2.gz OQNWGKFJIMPEBF-QGZVFWFLSA-N 1 0 320.433 2.202 10 0 DEAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000103284439 402183495 /nfs/dbraw/zinc/18/34/95/402183495.db2.gz BGOMWHYPHGPGOV-RYUDHWBXSA-N 1 0 323.824 2.254 10 0 DEAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000103284441 402183550 /nfs/dbraw/zinc/18/35/50/402183550.db2.gz BGOMWHYPHGPGOV-VXGBXAGGSA-N 1 0 323.824 2.254 10 0 DEAERO COC[C@H](C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000103427914 402187305 /nfs/dbraw/zinc/18/73/05/402187305.db2.gz QWNUHNLBWGPLCM-WMLDXEAASA-N 1 0 320.433 2.231 10 0 DEAERO Cc1ccc([C@H]2CCCC[N@@H+]2CCCN2C(=O)CNC2=O)o1 ZINC000124622619 402188582 /nfs/dbraw/zinc/18/85/82/402188582.db2.gz CMRCCGITEHOIMK-CYBMUJFWSA-N 1 0 305.378 2.057 10 0 DEAERO Cc1nn(C)c2sc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc12 ZINC000124708743 402192646 /nfs/dbraw/zinc/19/26/46/402192646.db2.gz DYIRFKMRBLOPJQ-PWSUYJOCSA-N 1 0 320.462 2.498 10 0 DEAERO Cc1ccc([C@H](CNC(=O)Nc2nncs2)[NH+](C)C)cc1 ZINC000067507425 402161317 /nfs/dbraw/zinc/16/13/17/402161317.db2.gz HPNOLABPIXPRLF-LBPRGKRZSA-N 1 0 305.407 2.271 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)C(=O)c2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000124082985 402162995 /nfs/dbraw/zinc/16/29/95/402162995.db2.gz GDDLQCZIXPJGOA-GUYCJALGSA-N 1 0 314.429 2.299 10 0 DEAERO [NH3+]CC(=O)N1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067847283 402174680 /nfs/dbraw/zinc/17/46/80/402174680.db2.gz IDWBMNFKXGIQTD-UHFFFAOYSA-N 1 0 306.369 2.073 10 0 DEAERO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000102927451 402175144 /nfs/dbraw/zinc/17/51/44/402175144.db2.gz WHZIJCHFYCOVSB-ZACQAIPSSA-N 1 0 306.450 2.421 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCc1nccs1 ZINC000124376445 402177507 /nfs/dbraw/zinc/17/75/07/402177507.db2.gz IXBRGTXEVZRDHP-CQSZACIVSA-N 1 0 324.494 2.447 10 0 DEAERO C[C@H](O)CC(C)(C)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125288410 402224443 /nfs/dbraw/zinc/22/44/43/402224443.db2.gz YHBHRTOPLHICQW-NFOMZHRRSA-N 1 0 313.486 2.203 10 0 DEAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(-n2cccn2)c1 ZINC000154798833 402233154 /nfs/dbraw/zinc/23/31/54/402233154.db2.gz FBWSQDPICXNFKI-ZDUSSCGKSA-N 1 0 313.405 2.066 10 0 DEAERO COc1cccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1O ZINC000107529436 402234516 /nfs/dbraw/zinc/23/45/16/402234516.db2.gz SUJMLDWOFSXVIT-AWEZNQCLSA-N 1 0 318.417 2.491 10 0 DEAERO O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCCCC1 ZINC000125720556 402246994 /nfs/dbraw/zinc/24/69/94/402246994.db2.gz ZNGPBGRENZJGER-UHFFFAOYSA-N 1 0 307.482 2.197 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cc(F)c(F)cc1F ZINC000125840491 402252934 /nfs/dbraw/zinc/25/29/34/402252934.db2.gz FARVKBWDQWJEBD-CMPLNLGQSA-N 1 0 312.335 2.342 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)c1cnn2c1CCCC2)c1ccccc1 ZINC000125941966 402257917 /nfs/dbraw/zinc/25/79/17/402257917.db2.gz HXAJUGKNUAXYOR-QGZVFWFLSA-N 1 0 312.417 2.252 10 0 DEAERO COc1ncc(Cl)c(NCCC[NH2+]Cc2cccnc2)n1 ZINC000125986349 402259539 /nfs/dbraw/zinc/25/95/39/402259539.db2.gz IEZVPVPCKCRHMV-UHFFFAOYSA-N 1 0 307.785 2.125 10 0 DEAERO CC(C)(C)c1noc(-c2ccc(N3CCC[C@@H]([NH3+])C3)nc2)n1 ZINC000070457805 402260903 /nfs/dbraw/zinc/26/09/03/402260903.db2.gz HGCHJEMPOWNMHX-GFCCVEGCSA-N 1 0 301.394 2.357 10 0 DEAERO [NH3+]C1CCN(c2nccn3nc(-c4cccc(F)c4)cc23)CC1 ZINC000070459258 402261319 /nfs/dbraw/zinc/26/13/19/402261319.db2.gz QJGJIZPEZVZSIM-UHFFFAOYSA-N 1 0 311.364 2.463 10 0 DEAERO C[C@H](CNC(=O)N1CCO[C@H](c2ccsc2)C1)[N@H+](C)C1CC1 ZINC000124968179 402206162 /nfs/dbraw/zinc/20/61/62/402206162.db2.gz HNDRSOXAQKMQIB-DOMZBBRYSA-N 1 0 323.462 2.314 10 0 DEAERO C[C@]1(O)CCC[N@H+](CC(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000124960872 402206180 /nfs/dbraw/zinc/20/61/80/402206180.db2.gz AOXMNYARGBDVBW-CJNGLKHVSA-N 1 0 308.447 2.258 10 0 DEAERO O=S(=O)(c1cccc2ccccc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000154350846 402207398 /nfs/dbraw/zinc/20/73/98/402207398.db2.gz VTTCWZJKWZNWIY-QGZVFWFLSA-N 1 0 316.426 2.214 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000154358417 402208141 /nfs/dbraw/zinc/20/81/41/402208141.db2.gz UYOMGGKRSOANIX-OCCSQVGLSA-N 1 0 321.469 2.401 10 0 DEAERO C[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(Cl)s1 ZINC000176608377 402323034 /nfs/dbraw/zinc/32/30/34/402323034.db2.gz SWBLKZJGPLRCAN-GHMZBOCLSA-N 1 0 316.854 2.294 10 0 DEAERO CCc1ccc(C(C)(C)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000176608463 402323162 /nfs/dbraw/zinc/32/31/62/402323162.db2.gz QTWCMMIYOAPNTB-KRWDZBQOSA-N 1 0 318.461 2.316 10 0 DEAERO CCc1cccc(CC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000126153731 402267484 /nfs/dbraw/zinc/26/74/84/402267484.db2.gz NUHXLXQXPREXPF-GOSISDBHSA-N 1 0 318.461 2.361 10 0 DEAERO Cn1ccnc1C[NH2+]C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000225799142 402323704 /nfs/dbraw/zinc/32/37/04/402323704.db2.gz IGLZATSGEVEPAT-UHFFFAOYSA-N 1 0 308.426 2.347 10 0 DEAERO CN(C)C(=O)C1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000071090286 402269862 /nfs/dbraw/zinc/26/98/62/402269862.db2.gz KYFLDAKTMWMGDP-UHFFFAOYSA-N 1 0 312.417 2.173 10 0 DEAERO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(-n2cnnn2)cc1 ZINC000126242809 402271210 /nfs/dbraw/zinc/27/12/10/402271210.db2.gz LVNQYWSGPPYDLL-CHWSQXEVSA-N 1 0 301.394 2.128 10 0 DEAERO CC(C)NC(=O)CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155993536 402273948 /nfs/dbraw/zinc/27/39/48/402273948.db2.gz KCGDRVLZKWILCL-KRWDZBQOSA-N 1 0 304.434 2.174 10 0 DEAERO Fc1ccccc1OCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000109819207 402276872 /nfs/dbraw/zinc/27/68/72/402276872.db2.gz UXPUUXXCJCAJBK-MRXNPFEDSA-N 1 0 322.424 2.391 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)c2sc([C@@H](C)OC)nc2C)C1 ZINC000176101986 402279417 /nfs/dbraw/zinc/27/94/17/402279417.db2.gz RPJDDOGSNLVGLI-VXGBXAGGSA-N 1 0 311.451 2.231 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc2[nH]ccc21 ZINC000110091938 402280688 /nfs/dbraw/zinc/28/06/88/402280688.db2.gz AKAUREBEEQJXEF-CYBMUJFWSA-N 1 0 316.405 2.400 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)C1CCCC1 ZINC000184616967 402284381 /nfs/dbraw/zinc/28/43/81/402284381.db2.gz DOYHBFMCAXZHIK-CYBMUJFWSA-N 1 0 303.406 2.181 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000156643099 402286044 /nfs/dbraw/zinc/28/60/44/402286044.db2.gz GHOLZMXDHGGZJU-AWEZNQCLSA-N 1 0 308.426 2.181 10 0 DEAERO CCC1(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)CCC1 ZINC000176191303 402288626 /nfs/dbraw/zinc/28/86/26/402288626.db2.gz WSBXSQGRXNJDJS-MRXNPFEDSA-N 1 0 307.482 2.195 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(O)c(OC)c1 ZINC000176193174 402288992 /nfs/dbraw/zinc/28/89/92/402288992.db2.gz XYNZDYBBWIZEQK-CQSZACIVSA-N 1 0 321.421 2.027 10 0 DEAERO COCC[C@H](C)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000176222129 402291935 /nfs/dbraw/zinc/29/19/35/402291935.db2.gz KCXCWYDTZAZHJK-HNNXBMFYSA-N 1 0 300.402 2.411 10 0 DEAERO O=C(N[C@@H]1CCOC2(CCCC2)C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000157138550 402292273 /nfs/dbraw/zinc/29/22/73/402292273.db2.gz VVTCMFKTDVHBLH-CVEARBPZSA-N 1 0 321.465 2.358 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000176289175 402296920 /nfs/dbraw/zinc/29/69/20/402296920.db2.gz CNRMMWPSNZNWAQ-MRXNPFEDSA-N 1 0 311.385 2.022 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCc2c[nH]nc2C)[C@H](C)C1 ZINC000157951195 402300726 /nfs/dbraw/zinc/30/07/26/402300726.db2.gz ANPBPHMCPOKDRK-CJNGLKHVSA-N 1 0 321.469 2.022 10 0 DEAERO Cc1ccc2ncnc(N[C@@H](C)CC[NH+]3CCN(C)CC3)c2c1 ZINC000184827298 402302317 /nfs/dbraw/zinc/30/23/17/402302317.db2.gz YRIDLDOBSWPWCY-HNNXBMFYSA-N 1 0 313.449 2.376 10 0 DEAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000221044727 402303017 /nfs/dbraw/zinc/30/30/17/402303017.db2.gz QJJWINBTNLDLDK-UHFFFAOYSA-N 1 0 321.421 2.178 10 0 DEAERO CC[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)CC[N@@H+]1C[C@@H](C)O ZINC000176467676 402312251 /nfs/dbraw/zinc/31/22/51/402312251.db2.gz ORHLUPAVIFZTNO-ZIAGYGMSSA-N 1 0 315.417 2.085 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(F)c1Br ZINC000226058292 402326003 /nfs/dbraw/zinc/32/60/03/402326003.db2.gz YMQRTYNYHVCUFD-VIFPVBQESA-N 1 0 315.186 2.412 10 0 DEAERO CCOc1cccnc1C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000176508235 402315592 /nfs/dbraw/zinc/31/55/92/402315592.db2.gz SJRNFMUFSXWZOF-AWEZNQCLSA-N 1 0 305.422 2.284 10 0 DEAERO Cc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)s1 ZINC000176505556 402315708 /nfs/dbraw/zinc/31/57/08/402315708.db2.gz FOOZGJZIEQEVOY-UHFFFAOYSA-N 1 0 310.467 2.204 10 0 DEAERO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000225476408 402318220 /nfs/dbraw/zinc/31/82/20/402318220.db2.gz WQSDNYCTBICZTB-IBGZPJMESA-N 1 0 310.397 2.166 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)[C@H](CO)CC(C)C)CC1 ZINC000185315738 402342501 /nfs/dbraw/zinc/34/25/01/402342501.db2.gz QKAAEYGUJZDQKQ-INIZCTEOSA-N 1 0 313.486 2.157 10 0 DEAERO Cc1cccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000176866879 402344128 /nfs/dbraw/zinc/34/41/28/402344128.db2.gz ZLDIGHKIFGWEJD-HNNXBMFYSA-N 1 0 318.461 2.468 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000185348467 402345851 /nfs/dbraw/zinc/34/58/51/402345851.db2.gz YWAXXWLYZXKOJN-OAHLLOKOSA-N 1 0 312.841 2.295 10 0 DEAERO CC[C@H]1[C@H](C)CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000185369009 402347610 /nfs/dbraw/zinc/34/76/10/402347610.db2.gz FMHVAJLBAQTOME-ZBFHGGJFSA-N 1 0 316.449 2.094 10 0 DEAERO CCc1cccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000176936258 402352439 /nfs/dbraw/zinc/35/24/39/402352439.db2.gz JYDOPVLHLQECJI-UKRRQHHQSA-N 1 0 310.463 2.352 10 0 DEAERO CCc1cccc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000176951545 402353592 /nfs/dbraw/zinc/35/35/92/402353592.db2.gz ILAQVSZTONKYFI-XJKSGUPXSA-N 1 0 310.463 2.256 10 0 DEAERO CCCc1noc(CCCC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)n1 ZINC000176968893 402355428 /nfs/dbraw/zinc/35/54/28/402355428.db2.gz ZKGXITIMGRHQTK-AWEZNQCLSA-N 1 0 322.453 2.288 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2ccccc2oc1=O ZINC000176974394 402355897 /nfs/dbraw/zinc/35/58/97/402355897.db2.gz LQQKLOGRYFFQSJ-CQSZACIVSA-N 1 0 314.385 2.349 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(C(=O)OC)c1 ZINC000176976748 402356017 /nfs/dbraw/zinc/35/60/17/402356017.db2.gz UEYUYXLGKGWXCI-OAHLLOKOSA-N 1 0 304.390 2.030 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1nc2ccccc2[nH]1 ZINC000176977838 402356487 /nfs/dbraw/zinc/35/64/87/402356487.db2.gz IXPHPWIKGMVEOL-AWEZNQCLSA-N 1 0 314.433 2.438 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc(OC)c(F)c1 ZINC000176987296 402356769 /nfs/dbraw/zinc/35/67/69/402356769.db2.gz VCCFXLWAUVDQAI-AWEZNQCLSA-N 1 0 308.397 2.320 10 0 DEAERO CC(C)c1ccc(NC(=O)CN2CCCC[C@]2(C)C(N)=O)cc1 ZINC000185901079 402387669 /nfs/dbraw/zinc/38/76/69/402387669.db2.gz CYIXLEDEGUJRKX-GOSISDBHSA-N 1 0 317.433 2.478 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)C12CCOCC2 ZINC000185663926 402368024 /nfs/dbraw/zinc/36/80/24/402368024.db2.gz BDTLOMOUBIBMIM-DLBZAZTESA-N 1 0 315.417 2.398 10 0 DEAERO CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000185905160 402388260 /nfs/dbraw/zinc/38/82/60/402388260.db2.gz AUZNZNMXBAOCLN-OKZBNKHCSA-N 1 0 316.445 2.162 10 0 DEAERO CC(C)(C)Cc1nc(-c2cccc(C(=O)NCCC[NH3+])c2)no1 ZINC000236633416 402369612 /nfs/dbraw/zinc/36/96/12/402369612.db2.gz YXGPSUADIPXKNQ-UHFFFAOYSA-N 1 0 316.405 2.404 10 0 DEAERO C[C@@H]1C[N@H+](Cc2nc3ccccc3s2)C[C@@H]1N1CCOCC1 ZINC000177220331 402382704 /nfs/dbraw/zinc/38/27/04/402382704.db2.gz KOQGUKGFLKMWHQ-HIFRSBDPSA-N 1 0 317.458 2.449 10 0 DEAERO CCN(C(=O)[C@@H](C)N1CCO[C@]2(CCOC2)C1)C1CCCCC1 ZINC000185142189 402327727 /nfs/dbraw/zinc/32/77/27/402327727.db2.gz GNFYRHRZRJBWRI-CRAIPNDOSA-N 1 0 324.465 2.047 10 0 DEAERO CC(=O)N(C)c1ccccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000237110511 402395719 /nfs/dbraw/zinc/39/57/19/402395719.db2.gz JGNQHFCYLGWRCC-UHFFFAOYSA-N 1 0 303.406 2.388 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1 ZINC000237156002 402397368 /nfs/dbraw/zinc/39/73/68/402397368.db2.gz OZWOGGVRRVOBFH-UHFFFAOYSA-N 1 0 318.808 2.350 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(OC)cccc1OC ZINC000177424341 402400838 /nfs/dbraw/zinc/40/08/38/402400838.db2.gz KFAVPLPRBSSOIW-ZDUSSCGKSA-N 1 0 306.406 2.260 10 0 DEAERO COc1cccc(F)c1[C@H](C)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237289198 402402391 /nfs/dbraw/zinc/40/23/91/402402391.db2.gz QDBMVVOFRSHUIL-NWDGAFQWSA-N 1 0 306.381 2.401 10 0 DEAERO Cc1ccc(F)cc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000177448983 402403328 /nfs/dbraw/zinc/40/33/28/402403328.db2.gz GDCNHYYTHAAKSP-CQSZACIVSA-N 1 0 322.424 2.299 10 0 DEAERO CCc1nc(CCNC(=O)N(C)C[C@H]2CCC[N@H+]2CC)cs1 ZINC000177465560 402405532 /nfs/dbraw/zinc/40/55/32/402405532.db2.gz HZBULWSXBXZLRY-CQSZACIVSA-N 1 0 324.494 2.374 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000177503294 402410160 /nfs/dbraw/zinc/41/01/60/402410160.db2.gz ZWUYEUPIDLWCIR-LSDHHAIUSA-N 1 0 314.389 2.339 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000237508482 402410733 /nfs/dbraw/zinc/41/07/33/402410733.db2.gz AIHTVLRGTKRGSK-HEHGZKQESA-N 1 0 320.481 2.110 10 0 DEAERO Cc1cc(Br)ccc1SCC(=O)NCCC[NH3+] ZINC000237573235 402413579 /nfs/dbraw/zinc/41/35/79/402413579.db2.gz NCSKYYBTXIYINN-UHFFFAOYSA-N 1 0 317.252 2.315 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C12CCOCC2 ZINC000186271142 402416609 /nfs/dbraw/zinc/41/66/09/402416609.db2.gz RLBWPRKMADAWOD-SJORKVTESA-N 1 0 323.408 2.382 10 0 DEAERO O=C(NCCc1ccc(Cl)nc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000177623881 402421554 /nfs/dbraw/zinc/42/15/54/402421554.db2.gz GRPORDQATDCNFH-UHFFFAOYSA-N 1 0 322.840 2.157 10 0 DEAERO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000177652046 402423850 /nfs/dbraw/zinc/42/38/50/402423850.db2.gz TVLZNMNXWDIMEL-HUUCEWRRSA-N 1 0 316.401 2.290 10 0 DEAERO Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000162600507 402425695 /nfs/dbraw/zinc/42/56/95/402425695.db2.gz UYXLSIPFUOHXSP-OAHLLOKOSA-N 1 0 310.401 2.228 10 0 DEAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(c2cc[nH]n2)CC1 ZINC000237972664 402429047 /nfs/dbraw/zinc/42/90/47/402429047.db2.gz JSLKNRLBVMJXQA-DZKIICNBSA-N 1 0 302.422 2.036 10 0 DEAERO O=C([C@H]1CC12CC[NH2+]CC2)N1CCC[C@@H](c2nccs2)C1 ZINC000237992506 402430810 /nfs/dbraw/zinc/43/08/10/402430810.db2.gz UZRFKSNTSKCMSP-CHWSQXEVSA-N 1 0 305.447 2.239 10 0 DEAERO O=C(CCN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccc(F)cc1 ZINC000177766412 402434081 /nfs/dbraw/zinc/43/40/81/402434081.db2.gz IKJKMYICIRGXAA-MRXNPFEDSA-N 1 0 305.397 2.324 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000162886311 402435063 /nfs/dbraw/zinc/43/50/63/402435063.db2.gz ZJHDKDKZNGXAJT-IHRRRGAJSA-N 1 0 308.447 2.305 10 0 DEAERO COc1cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc(OC)c1C ZINC000186491273 402435794 /nfs/dbraw/zinc/43/57/94/402435794.db2.gz BHMYCWAQBSGEPX-AWEZNQCLSA-N 1 0 318.417 2.369 10 0 DEAERO COc1ccccc1/C=C/C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186490677 402435842 /nfs/dbraw/zinc/43/58/42/402435842.db2.gz GNUWBJJAWWRYHB-KUCQQTCKSA-N 1 0 300.402 2.451 10 0 DEAERO COc1ccc(CC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1F ZINC000186498795 402436374 /nfs/dbraw/zinc/43/63/74/402436374.db2.gz RPBRKQSWNBBNJQ-ZDUSSCGKSA-N 1 0 306.381 2.120 10 0 DEAERO Cc1ncc(CN2CCN(CC[C@H]3CCC[N@H+]3C)CC2)s1 ZINC000162978815 402438561 /nfs/dbraw/zinc/43/85/61/402438561.db2.gz WAUAMXUGKZPUMQ-OAHLLOKOSA-N 1 0 308.495 2.053 10 0 DEAERO NC(=O)N1CCC([NH2+]CCOc2cccc3ccccc32)CC1 ZINC000177911927 402443484 /nfs/dbraw/zinc/44/34/84/402443484.db2.gz HDAAJUZLYVWFAG-UHFFFAOYSA-N 1 0 313.401 2.351 10 0 DEAERO C[C@]1(CNC(=O)Cn2cccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000163375081 402447671 /nfs/dbraw/zinc/44/76/71/402447671.db2.gz ONQVJAUVKIKYPX-GOSISDBHSA-N 1 0 312.417 2.054 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nn1cnc2ccccc21 ZINC000177308808 402390049 /nfs/dbraw/zinc/39/00/49/402390049.db2.gz OMZMDZRGLGDWDB-CYBMUJFWSA-N 1 0 301.394 2.116 10 0 DEAERO CCC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)[NH+](C)C ZINC000161535018 402391016 /nfs/dbraw/zinc/39/10/16/402391016.db2.gz BTVMRCFKRZZOKF-OCCSQVGLSA-N 1 0 306.406 2.365 10 0 DEAERO CCc1ccccc1OCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237031320 402392372 /nfs/dbraw/zinc/39/23/72/402392372.db2.gz GPGZQMWGGOWVLQ-XYPWUTKMSA-N 1 0 302.418 2.369 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCC[C@@H]1CCCCO1 ZINC000186624936 402449165 /nfs/dbraw/zinc/44/91/65/402449165.db2.gz OECUYCXWRVDNNN-HOTGVXAUSA-N 1 0 311.470 2.461 10 0 DEAERO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187726860 402510065 /nfs/dbraw/zinc/51/00/65/402510065.db2.gz WAKCUBUJGNKXAD-SNVBAGLBSA-N 1 0 319.336 2.025 10 0 DEAERO Cc1cc(C)c(C)c(OCCC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000186666354 402453390 /nfs/dbraw/zinc/45/33/90/402453390.db2.gz ZYVWSMJNBJQSPG-CJNGLKHVSA-N 1 0 304.434 2.495 10 0 DEAERO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(C)n1 ZINC000186674089 402454032 /nfs/dbraw/zinc/45/40/32/402454032.db2.gz NCJVCKVOGSXBMS-QGZVFWFLSA-N 1 0 301.434 2.437 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245412282 402457938 /nfs/dbraw/zinc/45/79/38/402457938.db2.gz AHNABWBNEGNJAD-WMLDXEAASA-N 1 0 319.449 2.296 10 0 DEAERO C[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)[C@H]1c1cccc(F)c1 ZINC000245410463 402458119 /nfs/dbraw/zinc/45/81/19/402458119.db2.gz RDQBVVBVLRPGML-MLGOLLRUSA-N 1 0 319.380 2.151 10 0 DEAERO CC(C)[C@@](C)(O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000186753278 402462041 /nfs/dbraw/zinc/46/20/41/402462041.db2.gz YFNFPOTWBBEAHG-INIZCTEOSA-N 1 0 310.463 2.349 10 0 DEAERO CN(CC(=O)Nc1ccccc1C(F)(F)F)CC1(CO)CC1 ZINC000186819624 402466303 /nfs/dbraw/zinc/46/63/03/402466303.db2.gz VNGAOYAFCBFDDW-UHFFFAOYSA-N 1 0 316.323 2.348 10 0 DEAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCn2ncnc21 ZINC000164663648 402467088 /nfs/dbraw/zinc/46/70/88/402467088.db2.gz JBATXHUNBWUTST-CVEARBPZSA-N 1 0 318.396 2.490 10 0 DEAERO COCCOc1ccccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245553500 402469826 /nfs/dbraw/zinc/46/98/26/402469826.db2.gz FPDRTPBRMFWUCG-KRWDZBQOSA-N 1 0 304.434 2.382 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)Nc2nncs2)[C@H]1c1ccccc1 ZINC000245629515 402475178 /nfs/dbraw/zinc/47/51/78/402475178.db2.gz HJEQUZCOZGRHBP-NWDGAFQWSA-N 1 0 303.391 2.105 10 0 DEAERO COCc1nc(C)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000245625461 402475223 /nfs/dbraw/zinc/47/52/23/402475223.db2.gz GJUCSFOJYRZXBX-JQWIXIFHSA-N 1 0 311.451 2.153 10 0 DEAERO CN(CC(=O)Nc1cc(F)cc(F)c1)CC1([NH+](C)C)CCC1 ZINC000186974692 402475342 /nfs/dbraw/zinc/47/53/42/402475342.db2.gz BZFJDAVHIPPZNX-UHFFFAOYSA-N 1 0 311.376 2.319 10 0 DEAERO COc1ccc([C@@H](C)C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000245652277 402477389 /nfs/dbraw/zinc/47/73/89/402477389.db2.gz HRPMALDWCIYWPV-MAUKXSAKSA-N 1 0 315.417 2.396 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)cc2OC)C[C@H]1C ZINC000245718169 402482509 /nfs/dbraw/zinc/48/25/09/402482509.db2.gz HLWYMVKAYDXLTB-OAHLLOKOSA-N 1 0 322.449 2.246 10 0 DEAERO CC[C@@H]1CN(Cc2cc(F)c(F)cc2F)CC[N@@H+]1C[C@H](C)O ZINC000245724015 402483175 /nfs/dbraw/zinc/48/31/75/402483175.db2.gz 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CCC[N@H+](CC(=O)NCCN1CCc2ccccc21)C1CC1 ZINC000171679024 402608820 /nfs/dbraw/zinc/60/88/20/402608820.db2.gz WUKVXGREGMPJCQ-UHFFFAOYSA-N 1 0 301.434 2.040 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2ncncc2Cl)[C@@H]1c1ccccc1 ZINC000180196903 402609694 /nfs/dbraw/zinc/60/96/94/402609694.db2.gz INSNLPKCPOGDBI-ZFWWWQNUSA-N 1 0 316.792 2.305 10 0 DEAERO O=C(CN1CCC([NH+]2CCCC2)CC1)Nc1ccc(Cl)cn1 ZINC000171695223 402611452 /nfs/dbraw/zinc/61/14/52/402611452.db2.gz RPWDQUJWGHCMGM-UHFFFAOYSA-N 1 0 322.840 2.234 10 0 DEAERO CSCCC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180313294 402612849 /nfs/dbraw/zinc/61/28/49/402612849.db2.gz HSADIXHQYVPITQ-UHFFFAOYSA-N 1 0 314.495 2.091 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCCc2cccnc21 ZINC000248895029 402613503 /nfs/dbraw/zinc/61/35/03/402613503.db2.gz XGTAZBUBTFITEE-HOTGVXAUSA-N 1 0 301.434 2.444 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000171768199 402620050 /nfs/dbraw/zinc/62/00/50/402620050.db2.gz YGZRXJIZWKTVKL-NEPJUHHUSA-N 1 0 307.360 2.312 10 0 DEAERO COCCN(C)c1ccc(C[NH2+]CCN2CCCC[C@H]2C)cn1 ZINC000190768168 402622084 /nfs/dbraw/zinc/62/20/84/402622084.db2.gz UHGQIYPODUUVDL-MRXNPFEDSA-N 1 0 320.481 2.128 10 0 DEAERO O=C1C[C@@H](c2ccccc2)[N@H+](C[C@@H](O)C2CCCCC2)CCN1 ZINC000249152328 402622344 /nfs/dbraw/zinc/62/23/44/402622344.db2.gz XYPNBXJHFGJJPW-ZWKOTPCHSA-N 1 0 316.445 2.491 10 0 DEAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000249406451 402628617 /nfs/dbraw/zinc/62/86/17/402628617.db2.gz UKULVNUGUJYALV-XJKSGUPXSA-N 1 0 300.443 2.336 10 0 DEAERO O=C1OCC[C@@H]1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247933423 402577868 /nfs/dbraw/zinc/57/78/68/402577868.db2.gz CGOMYLIASAWANY-KSZLIROESA-N 1 0 314.429 2.288 10 0 DEAERO CC(=O)Nc1cccc2c1CCN(C(=O)[C@]1(C)CCCC[NH2+]1)C2 ZINC000180932393 402630593 /nfs/dbraw/zinc/63/05/93/402630593.db2.gz PAXLICJUTFSOBD-SFHVURJKSA-N 1 0 315.417 2.062 10 0 DEAERO CC(C)c1nccn1CCC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181172412 402636997 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DEAERO CC(C)[C@@H](C)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000172222948 402645875 /nfs/dbraw/zinc/64/58/75/402645875.db2.gz RSMOSYTVRXTHFP-OAHLLOKOSA-N 1 0 318.465 2.084 10 0 DEAERO CC[C@H]1CN(C(=O)NCc2ccccc2F)CC[N@@H+]1CCOC ZINC000172275839 402647783 /nfs/dbraw/zinc/64/77/83/402647783.db2.gz JPNBIWFTGANWNZ-HNNXBMFYSA-N 1 0 323.412 2.078 10 0 DEAERO O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346845 402651859 /nfs/dbraw/zinc/65/18/59/402651859.db2.gz UPJBELIGYOLJBS-GOSISDBHSA-N 1 0 313.445 2.176 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1c(F)cccc1F ZINC000252443923 402653263 /nfs/dbraw/zinc/65/32/63/402653263.db2.gz QJSBVAVEKZAVOC-STQMWFEESA-N 1 0 323.387 2.385 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)c(Cl)cc1F ZINC000261751706 402716631 /nfs/dbraw/zinc/71/66/31/402716631.db2.gz LGYSJHAEZSUPRE-ZDUSSCGKSA-N 1 0 320.817 2.147 10 0 DEAERO C[C@H](O)C[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000252747223 402661090 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CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1COc2ccccc21 ZINC000253549402 402668659 /nfs/dbraw/zinc/66/86/59/402668659.db2.gz RJTDOPHCYAKBHB-IJEWVQPXSA-N 1 0 300.402 2.248 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2snnc2C(C)(C)C)C1 ZINC000191457449 402671183 /nfs/dbraw/zinc/67/11/83/402671183.db2.gz WVGFVPGZCLYSLB-RYUDHWBXSA-N 1 0 322.478 2.392 10 0 DEAERO O=C1O[C@@H](C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CN1c1ccccc1 ZINC000172822743 402677306 /nfs/dbraw/zinc/67/73/06/402677306.db2.gz DSWGJVLSTHOBCA-IINVVDAPSA-N 1 0 316.401 2.105 10 0 DEAERO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000191564173 402678736 /nfs/dbraw/zinc/67/87/36/402678736.db2.gz ZZWFTPIXLKQGBB-UHFFFAOYSA-N 1 0 324.428 2.367 10 0 DEAERO O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172907698 402679549 /nfs/dbraw/zinc/67/95/49/402679549.db2.gz WFEUCGRNPOLRHD-VNHYZAJKSA-N 1 0 306.356 2.375 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)c1cnc(-c2ccncc2)s1 ZINC000172924773 402680181 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CC[C@@H](O)C[NH+]1CCN(Cc2cc(-c3cccs3)on2)CC1 ZINC000174072122 402725788 /nfs/dbraw/zinc/72/57/88/402725788.db2.gz WQAUACAGLFRGPF-CQSZACIVSA-N 1 0 321.446 2.292 10 0 DEAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000262506635 402726614 /nfs/dbraw/zinc/72/66/14/402726614.db2.gz AFFXPNUJFXILTI-KKUMJFAQSA-N 1 0 309.841 2.329 10 0 DEAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000182922554 402727432 /nfs/dbraw/zinc/72/74/32/402727432.db2.gz MISKYXGRRBVNBE-GUYCJALGSA-N 1 0 316.376 2.154 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(O)cc2O)[C@@H]1c1ccccc1 ZINC000182941650 402728289 /nfs/dbraw/zinc/72/82/89/402728289.db2.gz BNXDMQMWDXVTRA-RDJZCZTQSA-N 1 0 312.369 2.273 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1nc(C2CCCCC2)no1 ZINC000262631740 402728403 /nfs/dbraw/zinc/72/84/03/402728403.db2.gz LBPJJCLNUWTEPO-UHTWSYAYSA-N 1 0 306.410 2.422 10 0 DEAERO COC(=O)C1CCC([NH2+][C@@H](C)Cc2c(C)nn(C)c2C)CC1 ZINC000192443588 402729308 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C[C@@H](O)CN1CC[N@H+](CCSCc2ccccc2)C[C@H]1C ZINC000192575000 402738041 /nfs/dbraw/zinc/73/80/41/402738041.db2.gz BMKAORYSPCKVLK-HZPDHXFCSA-N 1 0 308.491 2.307 10 0 DEAERO C[C@H]1COCC[C@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000192581303 402738393 /nfs/dbraw/zinc/73/83/93/402738393.db2.gz JSUAXYQBTQOBRO-SWLSCSKDSA-N 1 0 308.397 2.176 10 0 DEAERO COCc1csc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000174401346 402739394 /nfs/dbraw/zinc/73/93/94/402739394.db2.gz VADPAQBQYHRNOL-VGPLMAKISA-N 1 0 324.450 2.426 10 0 DEAERO COCc1csc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000174403493 402739484 /nfs/dbraw/zinc/73/94/84/402739484.db2.gz LFMPKHQATCCMSF-LLVKDONJSA-N 1 0 312.439 2.285 10 0 DEAERO Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175121164 402780811 /nfs/dbraw/zinc/78/08/11/402780811.db2.gz KUVJZKGXSVNFJP-BBRMVZONSA-N 1 0 318.465 2.149 10 0 DEAERO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183121773 402740595 /nfs/dbraw/zinc/74/05/95/402740595.db2.gz KCWCXBOYYVMXRZ-ZOBUZTSGSA-N 1 0 304.434 2.199 10 0 DEAERO Cc1c(O)ccc2c(C[NH2+][C@H](C)[C@@H]3CCCO3)cc(=O)oc12 ZINC000183140585 402742282 /nfs/dbraw/zinc/74/22/82/402742282.db2.gz KJDJGOWVZWKGDK-ABAIWWIYSA-N 1 0 303.358 2.464 10 0 DEAERO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000183142415 402742969 /nfs/dbraw/zinc/74/29/69/402742969.db2.gz FVFSHXAHSBBSSM-BFQNTYOBSA-N 1 0 319.405 2.129 10 0 DEAERO C[C@@H]1CC[C@H](C)CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000183221206 402748299 /nfs/dbraw/zinc/74/82/99/402748299.db2.gz VFRYCNVPKXUIQV-UONOGXRCSA-N 1 0 305.422 2.283 10 0 DEAERO COC[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000174625930 402749137 /nfs/dbraw/zinc/74/91/37/402749137.db2.gz RWWDWHAGMJHUIG-SJORKVTESA-N 1 0 315.417 2.030 10 0 DEAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000192843250 402753140 /nfs/dbraw/zinc/75/31/40/402753140.db2.gz IHOIDZRCWRTOHW-OAHLLOKOSA-N 1 0 304.438 2.034 10 0 DEAERO CCc1cnc(CCNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)s1 ZINC000174734430 402754349 /nfs/dbraw/zinc/75/43/49/402754349.db2.gz IVUUYJVEZSWHQW-LLVKDONJSA-N 1 0 310.467 2.030 10 0 DEAERO Cc1nn(-c2ccccc2)cc1CCCNC(=O)CC[C@@H](C)[NH3+] ZINC000193202893 402767814 /nfs/dbraw/zinc/76/78/14/402767814.db2.gz ITMMXPPQGFRUNA-CQSZACIVSA-N 1 0 314.433 2.357 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(N)nc(Cl)c1 ZINC000174978038 402768739 /nfs/dbraw/zinc/76/87/39/402768739.db2.gz GXKORBIVBHWVDK-VXGBXAGGSA-N 1 0 308.813 2.016 10 0 DEAERO C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N(C)CC(F)(F)F ZINC000193375398 402770843 /nfs/dbraw/zinc/77/08/43/402770843.db2.gz CXUHDIATWXNPQG-WODVXLOZSA-N 1 0 321.387 2.001 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)nn(C)c1C ZINC000175050247 402774933 /nfs/dbraw/zinc/77/49/33/402774933.db2.gz SQAWFLCUACYDEH-JKSUJKDBSA-N 1 0 318.465 2.055 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](COC)c1ccc(C)o1 ZINC000175274267 402793586 /nfs/dbraw/zinc/79/35/86/402793586.db2.gz LFIAABHLRRPFES-JSGCOSHPSA-N 1 0 311.426 2.305 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(C(=O)N(C)C)c1 ZINC000175339752 402798381 /nfs/dbraw/zinc/79/83/81/402798381.db2.gz DHYNNEPOXJLXEM-KRWDZBQOSA-N 1 0 303.450 2.305 10 0 DEAERO CCOc1ccccc1NC(=O)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000175357481 402799538 /nfs/dbraw/zinc/79/95/38/402799538.db2.gz JAZQXBCBAMHCDF-OAHLLOKOSA-N 1 0 319.449 2.440 10 0 DEAERO CCCCOCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000194506697 402801057 /nfs/dbraw/zinc/80/10/57/402801057.db2.gz NDTFPZFJIYVUQG-MRXNPFEDSA-N 1 0 307.438 2.405 10 0 DEAERO COc1ccccc1[C@H](O)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000175375458 402801376 /nfs/dbraw/zinc/80/13/76/402801376.db2.gz URSXZPMSRQJXNU-GDBMZVCRSA-N 1 0 320.433 2.109 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)Cc1ccccc1F ZINC000175391863 402802650 /nfs/dbraw/zinc/80/26/50/402802650.db2.gz LWPQGBOLKATGAP-AWEZNQCLSA-N 1 0 314.426 2.072 10 0 DEAERO OC[C@H]([NH2+]CCOCC1CC1)c1cccc(Br)c1 ZINC000183888354 402803593 /nfs/dbraw/zinc/80/35/93/402803593.db2.gz BOXAQUHPDYZJAQ-AWEZNQCLSA-N 1 0 314.223 2.499 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000175471300 402809501 /nfs/dbraw/zinc/80/95/01/402809501.db2.gz GGEIKQOZVRYRRR-OAHLLOKOSA-N 1 0 321.469 2.022 10 0 DEAERO C[C@@H](CCNC(=O)N[C@H]1CCCOC1)[N@H+](C)Cc1ccccc1 ZINC000175476066 402810090 /nfs/dbraw/zinc/81/00/90/402810090.db2.gz YZIJABPVQRNFTE-RDJZCZTQSA-N 1 0 319.449 2.375 10 0 DEAERO O=C(N[C@H]1COc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000194702243 402811218 /nfs/dbraw/zinc/81/12/18/402811218.db2.gz OZNPSSUTXNDCHS-HNNXBMFYSA-N 1 0 301.390 2.046 10 0 DEAERO C[C@@H]1CCC[C@H](C)N(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000175521256 402814025 /nfs/dbraw/zinc/81/40/25/402814025.db2.gz PJRQJHFLRMSDEW-CVEARBPZSA-N 1 0 311.470 2.319 10 0 DEAERO CN(CCCN1CCOCC1)Cc1nc2c(s1)CCCC2 ZINC000175546683 402816055 /nfs/dbraw/zinc/81/60/55/402816055.db2.gz XUJOGCDNSSRGNH-UHFFFAOYSA-N 1 0 309.479 2.176 10 0 DEAERO COc1cc(OC)cc([C@H]2CC[N@H+](C[C@H](O)COC(C)C)C2)c1 ZINC000175598019 402820697 /nfs/dbraw/zinc/82/06/97/402820697.db2.gz VJZXZTSRQZXGQO-HOCLYGCPSA-N 1 0 323.433 2.279 10 0 DEAERO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000195024988 402827437 /nfs/dbraw/zinc/82/74/37/402827437.db2.gz IQUUBMDWZPDYML-DGCLKSJQSA-N 1 0 306.431 2.335 10 0 DEAERO O=C(COc1ccccc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195094212 402830796 /nfs/dbraw/zinc/83/07/96/402830796.db2.gz BQGAGAGIEMKJLH-ZDUSSCGKSA-N 1 0 308.809 2.416 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000175770305 402830983 /nfs/dbraw/zinc/83/09/83/402830983.db2.gz CXQYMODZCFPTHY-INIZCTEOSA-N 1 0 321.469 2.270 10 0 DEAERO Cc1cccc(C)c1OCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195097682 402831745 /nfs/dbraw/zinc/83/17/45/402831745.db2.gz XFSDHTYCUIOVMP-MRXNPFEDSA-N 1 0 302.418 2.379 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000175775850 402831815 /nfs/dbraw/zinc/83/18/15/402831815.db2.gz CZXFTHVMONXWJU-UHFFFAOYSA-N 1 0 321.469 2.041 10 0 DEAERO CCC[C@H](CC)NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000195394385 402844386 /nfs/dbraw/zinc/84/43/86/402844386.db2.gz PWBNPGAFHZHLHW-CABCVRRESA-N 1 0 311.470 2.460 10 0 DEAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000194097716 402784013 /nfs/dbraw/zinc/78/40/13/402784013.db2.gz CECUPUCUJMJJQN-NWDGAFQWSA-N 1 0 319.371 2.455 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC([NH+](C)C)CC1 ZINC000194111879 402784350 /nfs/dbraw/zinc/78/43/50/402784350.db2.gz DOBXNAMLZFIAPP-UONOGXRCSA-N 1 0 321.440 2.417 10 0 DEAERO CCCNC(=O)c1ccc(N(C)C[C@H]2CCC[N@@H+]2CC)nc1 ZINC000175167273 402785004 /nfs/dbraw/zinc/78/50/04/402785004.db2.gz ILTCXYGWVGFIJO-OAHLLOKOSA-N 1 0 304.438 2.142 10 0 DEAERO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000183666012 402786752 /nfs/dbraw/zinc/78/67/52/402786752.db2.gz TVAROYAWFNZQHA-YJBOKZPZSA-N 1 0 312.413 2.323 10 0 DEAERO Cc1cc(Cl)ccc1NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175205743 402787912 /nfs/dbraw/zinc/78/79/12/402787912.db2.gz QVFSQCFPFOUKKQ-CQSZACIVSA-N 1 0 307.825 2.367 10 0 DEAERO O=C(NC1CCSCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000195472827 402846922 /nfs/dbraw/zinc/84/69/22/402846922.db2.gz VGVITJXZUDNDAF-UHFFFAOYSA-N 1 0 311.495 2.399 10 0 DEAERO CCC[C@@H](C)CC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000176003878 402847144 /nfs/dbraw/zinc/84/71/44/402847144.db2.gz KKJAMYVOKIQCLD-IAGOWNOFSA-N 1 0 309.498 2.441 10 0 DEAERO CN(C)c1ccnc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000195488175 402847292 /nfs/dbraw/zinc/84/72/92/402847292.db2.gz QDTGMXKEYGRLGF-QGZVFWFLSA-N 1 0 312.417 2.180 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502684 402847595 /nfs/dbraw/zinc/84/75/95/402847595.db2.gz IIIOLOUAKXNYSV-MRXNPFEDSA-N 1 0 318.465 2.391 10 0 DEAERO CCC[N@@H+]1CC[C@@H](CNc2ccc(C(=O)OC)c(OC)n2)C1 ZINC000184507672 402847843 /nfs/dbraw/zinc/84/78/43/402847843.db2.gz FDVUDUVQJAVVPY-LBPRGKRZSA-N 1 0 307.394 2.021 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2c1cccc2F ZINC000184507972 402847884 /nfs/dbraw/zinc/84/78/84/402847884.db2.gz CIPBLHCGBZZMOW-ZDUSSCGKSA-N 1 0 321.396 2.009 10 0 DEAERO CCc1nnc(CN2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1C ZINC000195516357 402849258 /nfs/dbraw/zinc/84/92/58/402849258.db2.gz OUUCJRJAONFYCX-CQSZACIVSA-N 1 0 314.437 2.015 10 0 DEAERO Cc1cc2c(cc1C)[C@H](C(=O)N1C[C@@H]3CCC[N@H+]3C[C@@H]1C)CO2 ZINC000184525534 402849330 /nfs/dbraw/zinc/84/93/30/402849330.db2.gz VCUYQHFILUWAAI-YQQAZPJKSA-N 1 0 314.429 2.475 10 0 DEAERO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)C2)no1 ZINC000195517707 402849465 /nfs/dbraw/zinc/84/94/65/402849465.db2.gz SWHXBKLJBAQDPM-OAHLLOKOSA-N 1 0 322.453 2.278 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000278964611 402891034 /nfs/dbraw/zinc/89/10/34/402891034.db2.gz GYVHCODEMGZEPP-HNNXBMFYSA-N 1 0 317.433 2.083 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000279490281 402948338 /nfs/dbraw/zinc/94/83/38/402948338.db2.gz LORCYUIMRLOOOF-UHFFFAOYSA-N 1 0 317.433 2.274 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)C12CCOCC2 ZINC000186342986 286282622 /nfs/dbraw/zinc/28/26/22/286282622.db2.gz BIJVSNCSWDEEHT-ZMOMAAQPSA-N 1 0 317.495 2.097 10 0 DEAERO Cc1nnc2ccc(N[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)nn12 ZINC000274133046 403029444 /nfs/dbraw/zinc/02/94/44/403029444.db2.gz FOCJIUVDAWSENW-CJNGLKHVSA-N 1 0 322.416 2.365 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)C2CC2)C12CCOCC2 ZINC000187784986 286289409 /nfs/dbraw/zinc/28/94/09/286289409.db2.gz MRDSCJAETMMQSD-BZUAXINKSA-N 1 0 319.449 2.435 10 0 DEAERO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1cnn2ccccc12)C1CC1 ZINC000275535359 403103123 /nfs/dbraw/zinc/10/31/23/403103123.db2.gz DZTALABBNNEJCJ-QGZVFWFLSA-N 1 0 312.417 2.310 10 0 DEAERO O[C@H](C[NH2+]Cc1cccc(Cl)c1Cl)Cn1cccn1 ZINC000566733729 292264574 /nfs/dbraw/zinc/26/45/74/292264574.db2.gz YCGTXMHKJPXGKL-LLVKDONJSA-N 1 0 300.189 2.341 10 0 DEAERO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnn1 ZINC000276368953 403168297 /nfs/dbraw/zinc/16/82/97/403168297.db2.gz KCDZNORMWZXKQX-UONOGXRCSA-N 1 0 302.422 2.168 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000277544907 403229379 /nfs/dbraw/zinc/22/93/79/403229379.db2.gz SHOGXOXSWKBXRO-XUJVJEKNSA-N 1 0 304.390 2.231 10 0 DEAERO CC(=O)N(C[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1)C1CC1 ZINC000276598377 403190305 /nfs/dbraw/zinc/19/03/05/403190305.db2.gz VHMPSIYCEBJHRS-RBUKOAKNSA-N 1 0 316.445 2.065 10 0 DEAERO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCCNC1=O ZINC000345745656 403466187 /nfs/dbraw/zinc/46/61/87/403466187.db2.gz SLMWCGGIYSOWIY-SJORKVTESA-N 1 0 303.450 2.011 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1cscc1Br ZINC000286268311 403486022 /nfs/dbraw/zinc/48/60/22/403486022.db2.gz BHEHCFCLMDNLBQ-LLVKDONJSA-N 1 0 308.241 2.388 10 0 DEAERO c1cc(N2CCC(OCC[NH+]3CCCC3)CC2)nc(C2CC2)n1 ZINC000301440437 403629359 /nfs/dbraw/zinc/62/93/59/403629359.db2.gz VDGLXVATBPVBSS-UHFFFAOYSA-N 1 0 316.449 2.435 10 0 DEAERO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000301591441 403651558 /nfs/dbraw/zinc/65/15/58/403651558.db2.gz YEGICFUWJDFLPC-LSDHHAIUSA-N 1 0 312.417 2.055 10 0 DEAERO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@H](C(F)(F)F)C1 ZINC000302810979 403729766 /nfs/dbraw/zinc/72/97/66/403729766.db2.gz KTVABBCYIKNLEN-UWVGGRQHSA-N 1 0 323.359 2.274 10 0 DEAERO NC(=O)C1CCC([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000302872310 403738107 /nfs/dbraw/zinc/73/81/07/403738107.db2.gz LJOPWQYJLGYDEM-DAWZGUTISA-N 1 0 315.461 2.285 10 0 DEAERO O=C(NCc1ccc2ccccc2n1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333425370 403749573 /nfs/dbraw/zinc/74/95/73/403749573.db2.gz TWBXHNFUASBTII-GDBMZVCRSA-N 1 0 310.401 2.128 10 0 DEAERO CC(C)C[C@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)CCO1 ZINC000333693237 403818412 /nfs/dbraw/zinc/81/84/12/403818412.db2.gz CRHHFMOJZOOJEP-CVEARBPZSA-N 1 0 323.481 2.365 10 0 DEAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1nc(C2CCCCC2)ns1 ZINC000333625596 403795779 /nfs/dbraw/zinc/79/57/79/403795779.db2.gz AFUJAMYXWIFFJO-TZMCWYRMSA-N 1 0 324.494 2.477 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@H](c2ccsc2)O1 ZINC000333733027 403837938 /nfs/dbraw/zinc/83/79/38/403837938.db2.gz WLDFUSGBQOUSMI-QHSBEEBCSA-N 1 0 323.462 2.218 10 0 DEAERO O=C(N[C@H]1CCOc2c(F)cccc21)N1CCC2(CC[NH2+]2)CC1 ZINC000333773347 403855385 /nfs/dbraw/zinc/85/53/85/403855385.db2.gz CJHZEUOEWBHTKM-AWEZNQCLSA-N 1 0 319.380 2.187 10 0 DEAERO c1cncc(-c2cccc(C[N@@H+]3CCN4CCOC[C@H]4C3)c2)c1 ZINC000368813267 403867715 /nfs/dbraw/zinc/86/77/15/403867715.db2.gz DWZHUZJHSWLLBZ-LJQANCHMSA-N 1 0 309.413 2.265 10 0 DEAERO CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C)nn3)C2)C12CCC2 ZINC000333808062 403868413 /nfs/dbraw/zinc/86/84/13/403868413.db2.gz HMTWJTZGYGSZEX-BZUAXINKSA-N 1 0 316.449 2.301 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H](c2ccsc2)O1 ZINC000333861845 403889704 /nfs/dbraw/zinc/88/97/04/403889704.db2.gz SGTQKLZZYSBZGV-SNPRPXQTSA-N 1 0 323.462 2.362 10 0 DEAERO c1[nH]nnc1CCCCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000289315154 403908313 /nfs/dbraw/zinc/90/83/13/403908313.db2.gz XWMONTSFPWFRPZ-UHFFFAOYSA-N 1 0 309.333 2.068 10 0 DEAERO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000362032970 403919124 /nfs/dbraw/zinc/91/91/24/403919124.db2.gz RFXHFONIYIKFJR-OAHLLOKOSA-N 1 0 324.384 2.370 10 0 DEAERO OC[C@]1(O)CCCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000313627380 403987439 /nfs/dbraw/zinc/98/74/39/403987439.db2.gz BSVZSQFYXUNOPH-AWEZNQCLSA-N 1 0 310.444 2.191 10 0 DEAERO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000341581736 404049449 /nfs/dbraw/zinc/04/94/49/404049449.db2.gz HDUVUUNQSVUFFZ-KKUMJFAQSA-N 1 0 319.453 2.356 10 0 DEAERO C[NH+](C)CC1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000344577779 404235681 /nfs/dbraw/zinc/23/56/81/404235681.db2.gz HKYTYLQCMQDCKP-UHFFFAOYSA-N 1 0 315.211 2.456 10 0 DEAERO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)CCCCO ZINC000349954282 404272996 /nfs/dbraw/zinc/27/29/96/404272996.db2.gz KEPSCDMAORXNSK-UHFFFAOYSA-N 1 0 304.843 2.064 10 0 DEAERO O[C@]1(C[NH2+]Cc2ccc(-n3cncn3)cc2)CCc2ccccc21 ZINC000370952287 404426663 /nfs/dbraw/zinc/42/66/63/404426663.db2.gz DZLLJBCETNYHLF-IBGZPJMESA-N 1 0 320.396 2.191 10 0 DEAERO CCN(CCC(=O)OC)C(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000364772867 404534826 /nfs/dbraw/zinc/53/48/26/404534826.db2.gz TVDQZFXGXREREB-GFCCVEGCSA-N 1 0 321.421 2.050 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000373928131 404643091 /nfs/dbraw/zinc/64/30/91/404643091.db2.gz IZDLFNJCGHRPGA-CYBMUJFWSA-N 1 0 305.426 2.246 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000373984677 404661520 /nfs/dbraw/zinc/66/15/20/404661520.db2.gz FZPZLYAOVXCEGV-MRXNPFEDSA-N 1 0 321.469 2.389 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)CC1 ZINC000365547937 404688528 /nfs/dbraw/zinc/68/85/28/404688528.db2.gz PLTQQMBGMXLUBT-YOEHRIQHSA-N 1 0 323.481 2.317 10 0 DEAERO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCCC3(C)C)C2)CC1 ZINC000366051634 404749161 /nfs/dbraw/zinc/74/91/61/404749161.db2.gz IYSPUJVPAWBEEX-DOTOQJQBSA-N 1 0 321.509 2.488 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@H](C[NH3+])CC(C)C)c1 ZINC000415262388 404836097 /nfs/dbraw/zinc/83/60/97/404836097.db2.gz IGMIVMDLLKAZCA-AWEZNQCLSA-N 1 0 306.410 2.164 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC2(C1)CCCCC2 ZINC000359277797 404789077 /nfs/dbraw/zinc/78/90/77/404789077.db2.gz SPRDWURYWSKPGD-OAHLLOKOSA-N 1 0 323.481 2.016 10 0 DEAERO CN1CCC2(CC[NH+](CCOc3ccc(F)cc3)CC2)C1=O ZINC000376035618 404792009 /nfs/dbraw/zinc/79/20/09/404792009.db2.gz SQRILWBNMYMRDT-UHFFFAOYSA-N 1 0 306.381 2.149 10 0 DEAERO COCCSCCC[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000376136610 404807794 /nfs/dbraw/zinc/80/77/94/404807794.db2.gz VFJCOXIEKHQRCH-HNNXBMFYSA-N 1 0 303.468 2.026 10 0 DEAERO c1nc(CN2CCC(C[NH+]3CCOCC3)CC2)oc1C1CC1 ZINC000366875251 404861819 /nfs/dbraw/zinc/86/18/19/404861819.db2.gz BEVNGDGINAQRGM-UHFFFAOYSA-N 1 0 305.422 2.096 10 0 DEAERO C(CN1C[C@H]2CC[C@@H](C1)O2)[NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000451232540 404912086 /nfs/dbraw/zinc/91/20/86/404912086.db2.gz YKPHPHRVCBQJCO-FLXSYLCISA-N 1 0 308.466 2.035 10 0 DEAERO COc1cc(C(=O)N2CCC[C@H]2Cn2ccnc2C)cc(C)n1 ZINC000367091210 404927249 /nfs/dbraw/zinc/92/72/49/404927249.db2.gz HSGJXZWUARIUQG-HNNXBMFYSA-N 1 0 314.389 2.208 10 0 DEAERO COCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000361487897 405096015 /nfs/dbraw/zinc/09/60/15/405096015.db2.gz WRBQLEHPHMZJDR-QRQLOZEOSA-N 1 0 320.477 2.274 10 0 DEAERO C[C@@H]1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H]1CO ZINC000408047914 405098767 /nfs/dbraw/zinc/09/87/67/405098767.db2.gz UAMSUQJKHNVEDH-VWSOIFEKSA-N 1 0 320.477 2.164 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ncccc1N ZINC000398032045 405060150 /nfs/dbraw/zinc/06/01/50/405060150.db2.gz GYWMUSRNFALGGQ-WMLDXEAASA-N 1 0 324.428 2.304 10 0 DEAERO CC(C)NC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404162387 405068635 /nfs/dbraw/zinc/06/86/35/405068635.db2.gz YXMHIVQBHZMZDQ-IAGOWNOFSA-N 1 0 317.433 2.080 10 0 DEAERO OC[C@@H]1CCC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000367560807 405083694 /nfs/dbraw/zinc/08/36/94/405083694.db2.gz AZFFOQPRKDXBCI-DLBZAZTESA-N 1 0 317.477 2.434 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000407994710 405086744 /nfs/dbraw/zinc/08/67/44/405086744.db2.gz CHMFIXAWAXDRDG-KBPBESRZSA-N 1 0 305.426 2.123 10 0 DEAERO CC(=O)c1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000408025453 405092275 /nfs/dbraw/zinc/09/22/75/405092275.db2.gz BWGAUTNWIQPZOO-SUMWQHHRSA-N 1 0 315.417 2.306 10 0 DEAERO Cc1c(C(=O)NCCNc2cc[nH+]cc2)cnc2ccccc12 ZINC000361529369 405117145 /nfs/dbraw/zinc/11/71/45/405117145.db2.gz DWAVUDLEBMLMLJ-UHFFFAOYSA-N 1 0 306.369 2.202 10 0 DEAERO CC(=O)CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]2C2CC2)cc1 ZINC000453043663 405278381 /nfs/dbraw/zinc/27/83/81/405278381.db2.gz UNFQCBPTZZMYDE-MJGOQNOKSA-N 1 0 317.429 2.432 10 0 DEAERO COC1([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2)CCOCC1 ZINC000453055030 405279913 /nfs/dbraw/zinc/27/99/13/405279913.db2.gz ILBOISYMBSMFHJ-WMZOPIPTSA-N 1 0 318.461 2.435 10 0 DEAERO COC1([C@@H](C)[NH2+]CCn2cnc3ccccc32)CCOCC1 ZINC000453078638 405282117 /nfs/dbraw/zinc/28/21/17/405282117.db2.gz GRQUBNVWGIDVLA-CQSZACIVSA-N 1 0 303.406 2.210 10 0 DEAERO COC1([C@@H](C)[NH2+]CCCCNc2ccccn2)CCOCC1 ZINC000453099713 405284164 /nfs/dbraw/zinc/28/41/64/405284164.db2.gz WUZUTXZQUANBBS-OAHLLOKOSA-N 1 0 307.438 2.447 10 0 DEAERO COC1([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)CCOCC1 ZINC000453137514 405286728 /nfs/dbraw/zinc/28/67/28/405286728.db2.gz XNZKPSRAPUOJTH-WBVHZDCISA-N 1 0 307.434 2.326 10 0 DEAERO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC3(CCOCC3)[C@H]2C)on1 ZINC000368217974 405231856 /nfs/dbraw/zinc/23/18/56/405231856.db2.gz CCJQTOXUGQJUSG-CHWSQXEVSA-N 1 0 307.394 2.201 10 0 DEAERO Cc1cccc(OC[C@@H](O)C[NH2+]C2(CCO)CCCCC2)c1 ZINC000440905444 405330283 /nfs/dbraw/zinc/33/02/83/405330283.db2.gz QHNJVDWJSKFFAJ-INIZCTEOSA-N 1 0 307.434 2.410 10 0 DEAERO C[N@H+](CCCO)CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000440951065 405331752 /nfs/dbraw/zinc/33/17/52/405331752.db2.gz CMICZPHJXYCDQY-GOSISDBHSA-N 1 0 322.424 2.487 10 0 DEAERO C[C@H]1C[C@H](NC(=O)Nc2ccc(N3CCC3=O)cc2)CC[N@@H+]1C ZINC000439970426 405298548 /nfs/dbraw/zinc/29/85/48/405298548.db2.gz ZZSOSOQDCONBQR-GXTWGEPZSA-N 1 0 316.405 2.028 10 0 DEAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cn(C)nc1C(C)C ZINC000455359863 405400926 /nfs/dbraw/zinc/40/09/26/405400926.db2.gz UBEQQRYQWPJTLM-ZDUSSCGKSA-N 1 0 307.442 2.492 10 0 DEAERO c1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)ccc1CN1CCOCC1 ZINC000420980223 405419452 /nfs/dbraw/zinc/41/94/52/405419452.db2.gz WFKWFUMMKYBOHU-IRXDYDNUSA-N 1 0 304.459 2.209 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000421067303 405443267 /nfs/dbraw/zinc/44/32/67/405443267.db2.gz MIOJJKFLDKBCEX-MRXNPFEDSA-N 1 0 318.421 2.227 10 0 DEAERO C[NH2+]CCOCCNC(=O)c1cc(SC)ccc1Cl ZINC000638585179 405557006 /nfs/dbraw/zinc/55/70/06/405557006.db2.gz USJKPZZPSPNTLN-UHFFFAOYSA-N 1 0 302.827 2.028 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000638586486 405558733 /nfs/dbraw/zinc/55/87/33/405558733.db2.gz RGRMJBSLJZYZTE-UHFFFAOYSA-N 1 0 319.232 2.230 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2OC)CC12COC2 ZINC000449363838 405525788 /nfs/dbraw/zinc/52/57/88/405525788.db2.gz MKPKUAIPHWXZNZ-OAHLLOKOSA-N 1 0 319.401 2.015 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H](C)C[C@@H](C)O)c1Br ZINC000638678575 405612064 /nfs/dbraw/zinc/61/20/64/405612064.db2.gz DEUVXKWPMLBAOK-JGVFFNPUSA-N 1 0 323.256 2.411 10 0 DEAERO COc1nsc(C[NH2+]C[C@@]2(C)CCOC2)c1Br ZINC000638610659 405571095 /nfs/dbraw/zinc/57/10/95/405571095.db2.gz DJGIVMCXVDFKIJ-LLVKDONJSA-N 1 0 321.240 2.430 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)c2cc(F)cc(Br)c2)C[NH2+]1 ZINC000638652206 405596561 /nfs/dbraw/zinc/59/65/61/405596561.db2.gz IGZDCICLXUGGGC-QPUJVOFHSA-N 1 0 315.186 2.459 10 0 DEAERO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000458798569 405598007 /nfs/dbraw/zinc/59/80/07/405598007.db2.gz YZSHTDCDBVGSRL-ZDUSSCGKSA-N 1 0 315.421 2.094 10 0 DEAERO CC[C@H](O)CC[NH2+]Cc1snc(OC)c1Br ZINC000638763672 405654979 /nfs/dbraw/zinc/65/49/79/405654979.db2.gz GLYRLFJFAYHJBM-ZETCQYMHSA-N 1 0 309.229 2.165 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000638771312 405659750 /nfs/dbraw/zinc/65/97/50/405659750.db2.gz MFASRSYHECGLPN-QPUJVOFHSA-N 1 0 303.189 2.239 10 0 DEAERO c1ccc(N2CC[C@@H](C[NH2+]CCN3CCSCC3)C2)cc1 ZINC000638866345 405727196 /nfs/dbraw/zinc/72/71/96/405727196.db2.gz JZGSAAVNLWVXJY-INIZCTEOSA-N 1 0 305.491 2.151 10 0 DEAERO C[C@H]1CN(C(=O)c2c(F)cccc2Br)C[C@@H]1C[NH3+] ZINC000638893315 405744892 /nfs/dbraw/zinc/74/48/92/405744892.db2.gz YMMRGDGIKOUHCB-IUCAKERBSA-N 1 0 315.186 2.255 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccc(OC2CCOCC2)cc1 ZINC000583517461 405751496 /nfs/dbraw/zinc/75/14/96/405751496.db2.gz XHXXAVXFPXLQDY-UHFFFAOYSA-N 1 0 320.433 2.268 10 0 DEAERO Cn1cncc1[C@H]1[C@H](CNc2ccncc2Cl)CCC[N@@H+]1C ZINC000583618240 405777053 /nfs/dbraw/zinc/77/70/53/405777053.db2.gz XFDQKHSZBPJODV-BLLLJJGKSA-N 1 0 319.840 2.385 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)CC2 ZINC000530422196 405799482 /nfs/dbraw/zinc/79/94/82/405799482.db2.gz RRSDEGRNKUVTGI-BBRMVZONSA-N 1 0 318.465 2.094 10 0 DEAERO C[C@H](CC1CCC1)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638994802 405807783 /nfs/dbraw/zinc/80/77/83/405807783.db2.gz OXYUMNWHIBQMRB-RHSMWYFYSA-N 1 0 303.450 2.141 10 0 DEAERO COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2nnc(C)o2)cc1 ZINC000583615587 405774526 /nfs/dbraw/zinc/77/45/26/405774526.db2.gz MQJIFRXWTJBFNE-WBVHZDCISA-N 1 0 317.389 2.259 10 0 DEAERO CO[C@@H](C[NH2+]C[C@@H]1CCCCS1(=O)=O)C1CCCCC1 ZINC000639035634 405833073 /nfs/dbraw/zinc/83/30/73/405833073.db2.gz FUINKMUMGYHYLX-GJZGRUSLSA-N 1 0 303.468 2.139 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000457466797 405854323 /nfs/dbraw/zinc/85/43/23/405854323.db2.gz WAFLRMIGWKQSEO-ZDUSSCGKSA-N 1 0 318.417 2.243 10 0 DEAERO CCn1nncc1CN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000459340824 405862666 /nfs/dbraw/zinc/86/26/66/405862666.db2.gz PIGPGPXNCYRPSR-UHFFFAOYSA-N 1 0 313.449 2.394 10 0 DEAERO COc1cc(C)c(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1OC ZINC000531267465 405934049 /nfs/dbraw/zinc/93/40/49/405934049.db2.gz QWGVJUIAGMLWBC-GFCCVEGCSA-N 1 0 306.406 2.084 10 0 DEAERO c1ccc(N2CC[C@H](C[N@@H+]3CC[C@@H](Nc4ncccn4)C3)C2)cc1 ZINC000639282095 406019978 /nfs/dbraw/zinc/01/99/78/406019978.db2.gz NDOBAGSYPDDHTE-IAGOWNOFSA-N 1 0 323.444 2.489 10 0 DEAERO CN(Cc1ncc(Br)s1)C[C@H]1CC[N@H+](C)C1 ZINC000434192709 406029142 /nfs/dbraw/zinc/02/91/42/406029142.db2.gz AYOJLTMXXLFISS-VIFPVBQESA-N 1 0 304.257 2.289 10 0 DEAERO C[C@H]1C[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C[C@@H](C)C1 ZINC000639309238 406036026 /nfs/dbraw/zinc/03/60/26/406036026.db2.gz RDZDMSJDKIPJLV-GDNZZTSVSA-N 1 0 300.424 2.089 10 0 DEAERO OCC1([NH2+]Cc2nccn2Cc2ccccc2)CCSCC1 ZINC000459689403 406007417 /nfs/dbraw/zinc/00/74/17/406007417.db2.gz FQAKEPLLNCMZEO-UHFFFAOYSA-N 1 0 317.458 2.279 10 0 DEAERO CN(Cc1ncc(Br)s1)[C@H]1C[NH+]2CCC1CC2 ZINC000639399903 406083733 /nfs/dbraw/zinc/08/37/33/406083733.db2.gz VCOMHIIBQWHQGP-JTQLQIEISA-N 1 0 316.268 2.432 10 0 DEAERO C(c1noc(CN2CCC([NH+]3CCCCC3)CC2)n1)C1CC1 ZINC000639455289 406096326 /nfs/dbraw/zinc/09/63/26/406096326.db2.gz YLAWWWFDUHTLHT-UHFFFAOYSA-N 1 0 304.438 2.472 10 0 DEAERO Cc1csc([C@H](C)NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)n1 ZINC000532060543 406039494 /nfs/dbraw/zinc/03/94/94/406039494.db2.gz JSLFJKQGWFMXAO-SUZMYJTESA-N 1 0 308.451 2.294 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+]CC3CCSCC3)C2)ccn1 ZINC000639355036 406062003 /nfs/dbraw/zinc/06/20/03/406062003.db2.gz STKQLDPPCLRJFK-QGZVFWFLSA-N 1 0 321.490 2.015 10 0 DEAERO C(c1noc(CN2CC[C@H](C[NH+]3CCCCC3)C2)n1)C1CC1 ZINC000639497275 406114764 /nfs/dbraw/zinc/11/47/64/406114764.db2.gz JRORHPNLDSZDFN-OAHLLOKOSA-N 1 0 304.438 2.330 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc(Cc2cccnc2)no1 ZINC000634558725 406170471 /nfs/dbraw/zinc/17/04/71/406170471.db2.gz JOMJSRKYOAZXNF-INIZCTEOSA-N 1 0 323.400 2.187 10 0 DEAERO c1cnn(-c2ccc(C[N@@H+]3CC[C@H](Nc4ncccn4)C3)cc2)c1 ZINC000567905384 406158378 /nfs/dbraw/zinc/15/83/78/406158378.db2.gz VLYZIMPZMHGNLM-INIZCTEOSA-N 1 0 320.400 2.349 10 0 DEAERO Cc1cccc2c1CC[C@@H]2NC(=O)NCCNc1cc[nH+]cc1 ZINC000535263453 406217566 /nfs/dbraw/zinc/21/75/66/406217566.db2.gz YIARGDRUDVDVND-KRWDZBQOSA-N 1 0 310.401 2.211 10 0 DEAERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(I)cn1 ZINC000519601507 406219439 /nfs/dbraw/zinc/21/94/39/406219439.db2.gz CMXYJIBDSPRELR-YUMQZZPRSA-N 1 0 305.163 2.224 10 0 DEAERO CC[C@@H]([NH2+]Cc1c(Br)cnn1C)[C@H]1CCCO1 ZINC000487557903 406245968 /nfs/dbraw/zinc/24/59/68/406245968.db2.gz KUZKXTLRHUGFRE-ZYHUDNBSSA-N 1 0 302.216 2.230 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](CO)[C@@H]2C)cc1C ZINC000488732266 406342544 /nfs/dbraw/zinc/34/25/44/406342544.db2.gz MMKDVOFCYDKEKD-ZOBUZTSGSA-N 1 0 304.434 2.183 10 0 DEAERO c1cc(-c2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)no1 ZINC000546493210 406359075 /nfs/dbraw/zinc/35/90/75/406359075.db2.gz MOKCNEQIPKXPEJ-ZDUSSCGKSA-N 1 0 311.345 2.499 10 0 DEAERO O=C(c1ccncc1Br)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632865892 406298134 /nfs/dbraw/zinc/29/81/34/406298134.db2.gz WZBKXWYIGMWLKS-GWCFXTLKSA-N 1 0 324.222 2.058 10 0 DEAERO Cc1ccc(NC(=O)[C@@]2(C)C[NH2+]CCO2)cc1Br ZINC000637905423 406471228 /nfs/dbraw/zinc/47/12/28/406471228.db2.gz NCECJZUCIVPODP-CYBMUJFWSA-N 1 0 313.195 2.075 10 0 DEAERO c1nnn(Cc2ccccc2)c1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000490576905 406472513 /nfs/dbraw/zinc/47/25/13/406472513.db2.gz DSJJHOPPHZJKSI-SJORKVTESA-N 1 0 311.433 2.043 10 0 DEAERO CC(C)CN(C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000637931679 406482662 /nfs/dbraw/zinc/48/26/62/406482662.db2.gz GEJAHBHMOYSMLL-QGZVFWFLSA-N 1 0 305.466 2.339 10 0 DEAERO CC[C@H]1CCCCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637869916 406455097 /nfs/dbraw/zinc/45/50/97/406455097.db2.gz ZWBNTWZGCLPNDC-IRXDYDNUSA-N 1 0 303.450 2.237 10 0 DEAERO CC[C@H](C)NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637869553 406455724 /nfs/dbraw/zinc/45/57/24/406455724.db2.gz XJFLPZXUVNPARP-HNNXBMFYSA-N 1 0 303.450 2.285 10 0 DEAERO c1c(CN2CC[NH+](CCC[C@H]3CCO3)CC2)nc2ccccn12 ZINC000637878127 406458651 /nfs/dbraw/zinc/45/86/51/406458651.db2.gz DKONLWIBSTWXAK-KRWDZBQOSA-N 1 0 314.433 2.021 10 0 DEAERO Cc1cc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2c[nH]nc2C)on1 ZINC000548352177 406505290 /nfs/dbraw/zinc/50/52/90/406505290.db2.gz SUDOKZYJIIJWSC-GJZGRUSLSA-N 1 0 321.400 2.059 10 0 DEAERO c1ccc(N2CC[C@H](C[N@@H+]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000638167744 406603239 /nfs/dbraw/zinc/60/32/39/406603239.db2.gz HJGKQCSUHJEXLD-QGZVFWFLSA-N 1 0 316.445 2.394 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1-c1cn[nH]c1 ZINC000635565084 406592871 /nfs/dbraw/zinc/59/28/71/406592871.db2.gz MSIQSOFIRUYPBG-HIFRSBDPSA-N 1 0 310.401 2.385 10 0 DEAERO c1ccc(CN2CCOCC2)c(C[NH2+]CCC[C@@H]2CCO2)c1 ZINC000638305219 406686785 /nfs/dbraw/zinc/68/67/85/406686785.db2.gz RXDBIYPFCIIKPL-GOSISDBHSA-N 1 0 304.434 2.178 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@H](CCF)C1 ZINC000638420926 406761525 /nfs/dbraw/zinc/76/15/25/406761525.db2.gz WKNXTOQJYBBGJV-IAGOWNOFSA-N 1 0 321.440 2.044 10 0 DEAERO c1cc(CN2CCC([NH2+]CC[C@@H]3CCCOC3)CC2)ccn1 ZINC000527925223 406789676 /nfs/dbraw/zinc/78/96/76/406789676.db2.gz IKDPPNKJMXUXKC-KRWDZBQOSA-N 1 0 303.450 2.452 10 0 DEAERO C[NH+]1CCC(c2c(OC(F)(F)F)cccc2C(N)=O)CC1 ZINC000575448628 406811193 /nfs/dbraw/zinc/81/11/93/406811193.db2.gz IHFYWCWRIKXHSM-UHFFFAOYSA-N 1 0 302.296 2.493 10 0 DEAERO COC[C@]1(C(=O)Nc2ccc(Br)cc2)CCC[NH2+]1 ZINC000643613889 407016788 /nfs/dbraw/zinc/01/67/88/407016788.db2.gz GAMHCVNJXXCPCO-ZDUSSCGKSA-N 1 0 313.195 2.156 10 0 DEAERO COC[C@]1(C(=O)NCc2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000643637811 407020005 /nfs/dbraw/zinc/02/00/05/407020005.db2.gz XNNQBEAVLQPORO-AWEZNQCLSA-N 1 0 317.216 2.378 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCCC(C)(C)C)C[C@@H]1C ZINC000185981015 287090663 /nfs/dbraw/zinc/09/06/63/287090663.db2.gz GCGPJQAGHCVTOR-LSDHHAIUSA-N 1 0 313.486 2.299 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@@H](C)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000131414674 287149956 /nfs/dbraw/zinc/14/99/56/287149956.db2.gz TWSYWBKKFHYZCR-HLLBOEOZSA-N 1 0 304.434 2.094 10 0 DEAERO CC[C@@H]([NH3+])Cc1c(Cl)cccc1O[C@H]1CCS(=O)(=O)C1 ZINC000128740959 195988000 /nfs/dbraw/zinc/98/80/00/195988000.db2.gz UQGRZSHVQANQAY-MNOVXSKESA-N 1 0 317.838 2.186 10 0 DEAERO C[NH2+][C@H]1CCN(C(=O)c2cccc(F)c2Br)C1 ZINC000128918555 196003848 /nfs/dbraw/zinc/00/38/48/196003848.db2.gz XELTXFSHNKAISZ-QMMMGPOBSA-N 1 0 301.159 2.022 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1OCCc2ccccc21 ZINC000129395760 196045259 /nfs/dbraw/zinc/04/52/59/196045259.db2.gz OANVQDWGOWCYLI-YOEHRIQHSA-N 1 0 302.418 2.291 10 0 DEAERO COc1ccc(Oc2cnc(C[NH3+])cn2)c(Br)c1 ZINC000129494659 196052848 /nfs/dbraw/zinc/05/28/48/196052848.db2.gz FMXYZVRVMMBWNP-UHFFFAOYSA-N 1 0 310.151 2.499 10 0 DEAERO COc1cc(/C=C/C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1 ZINC000129503507 196053969 /nfs/dbraw/zinc/05/39/69/196053969.db2.gz FJWBOJIDCMUCMP-AGYPKMJTSA-N 1 0 316.401 2.116 10 0 DEAERO CCO[C@@H](C)C[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000129523658 196055212 /nfs/dbraw/zinc/05/52/12/196055212.db2.gz DIWOVETVOATYLM-VIFPVBQESA-N 1 0 313.199 2.006 10 0 DEAERO CCCNc1cc(C)[nH+]cc1C(=O)N[C@H](C)CC[S@@](C)=O ZINC000129660993 196065959 /nfs/dbraw/zinc/06/59/59/196065959.db2.gz KSJNVKTVAKJDSL-FIKIJFGZSA-N 1 0 311.451 2.099 10 0 DEAERO C[C@@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000129696597 196068774 /nfs/dbraw/zinc/06/87/74/196068774.db2.gz JHLTUGZPBHUKKK-GFCCVEGCSA-N 1 0 309.841 2.201 10 0 DEAERO N[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccs1 ZINC000130524900 196087305 /nfs/dbraw/zinc/08/73/05/196087305.db2.gz ZRJGRQLISHNGSD-HNNXBMFYSA-N 1 0 307.463 2.225 10 0 DEAERO CCO[C@H]1CCC[N@H+](Cc2cc(C(N)=S)ccc2OC)C1 ZINC000130589539 196093423 /nfs/dbraw/zinc/09/34/23/196093423.db2.gz HCCXEVXSVNQZOB-AWEZNQCLSA-N 1 0 308.447 2.330 10 0 DEAERO CC[NH2+]C[C@H]1COCCN1Cc1ccc(Br)s1 ZINC000130824598 196113652 /nfs/dbraw/zinc/11/36/52/196113652.db2.gz QBPLXNXZDSBLER-JTQLQIEISA-N 1 0 319.268 2.321 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[N@H+](C2CC2)C2CCCC2)C1 ZINC000130960381 196126364 /nfs/dbraw/zinc/12/63/64/196126364.db2.gz YWXBCMZDZOULIO-ZDUSSCGKSA-N 1 0 300.468 2.065 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1c(F)c(F)c(F)c(F)c1F ZINC000130993881 196131210 /nfs/dbraw/zinc/13/12/10/196131210.db2.gz RKDIDVYKRZOYQX-RXMQYKEDSA-N 1 0 317.279 2.207 10 0 DEAERO CCC[NH2+][C@](CO)(CSc1nc(CC)ns1)C1CC1 ZINC000131007910 196131589 /nfs/dbraw/zinc/13/15/89/196131589.db2.gz WSKXYXSBUAHAGQ-CYBMUJFWSA-N 1 0 301.481 2.333 10 0 DEAERO CC1(C)CC(NS(=O)(=O)C[C@@H]2CCC[NH2+]2)CC(C)(C)C1 ZINC000131068591 196137206 /nfs/dbraw/zinc/13/72/06/196137206.db2.gz XPAJHMPXMACISH-LBPRGKRZSA-N 1 0 302.484 2.263 10 0 DEAERO C[C@@H](CN1CCOCC1)NC1=[NH+]CC2(CCCCC2)CS1 ZINC000131120857 196141835 /nfs/dbraw/zinc/14/18/35/196141835.db2.gz UAIGGJDLUWTKIS-AWEZNQCLSA-N 1 0 311.495 2.350 10 0 DEAERO Cc1c(N)cnc(N(C)[C@@H]2CCCC[C@@H]2O)c1Br ZINC000131169938 196146321 /nfs/dbraw/zinc/14/63/21/196146321.db2.gz UJLKTYSITYFKBG-MNOVXSKESA-N 1 0 314.227 2.474 10 0 DEAERO C[C@H](C[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000131186413 196147186 /nfs/dbraw/zinc/14/71/86/196147186.db2.gz CCLWWDMWYDQSIM-CABCVRRESA-N 1 0 310.463 2.051 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)c1cc(OC)ccc1OC ZINC000131187142 196147424 /nfs/dbraw/zinc/14/74/24/196147424.db2.gz ZFDMNZUFZDTAOM-CQSZACIVSA-N 1 0 315.435 2.179 10 0 DEAERO CC(C)[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1F ZINC000131179198 196147534 /nfs/dbraw/zinc/14/75/34/196147534.db2.gz WOUAFAJHYKPZRY-GFCCVEGCSA-N 1 0 308.806 2.131 10 0 DEAERO C[N@H+](CC(=O)Nc1ccc(Cl)c(N)c1)[C@@H]1CCCC[C@@H]1O ZINC000131207824 196149476 /nfs/dbraw/zinc/14/94/76/196149476.db2.gz DLYYBRQNCKETHO-KGLIPLIRSA-N 1 0 311.813 2.096 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC2(C[NH3+])CCCCC2)c(C)c1 ZINC000131566833 196180477 /nfs/dbraw/zinc/18/04/77/196180477.db2.gz YXXTUUSPOOKNHU-UHFFFAOYSA-N 1 0 310.463 2.491 10 0 DEAERO COCC[NH2+]CC(=O)Nc1cc(Cl)ccc1Br ZINC000131678008 196190292 /nfs/dbraw/zinc/19/02/92/196190292.db2.gz OUWXWJGXPZAXMB-UHFFFAOYSA-N 1 0 321.602 2.277 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C)C2)ccc1F ZINC000131769133 196197900 /nfs/dbraw/zinc/19/79/00/196197900.db2.gz MKHQVTFOLCPDFH-NEPJUHHUSA-N 1 0 314.426 2.212 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(F)cc1C)[C@@H](C)S(C)(=O)=O ZINC000131921859 196209916 /nfs/dbraw/zinc/20/99/16/196209916.db2.gz PCJHAVGKZLZCSE-IUODEOHRSA-N 1 0 301.427 2.478 10 0 DEAERO Cc1c(CCC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cnn1C ZINC000131952859 196213444 /nfs/dbraw/zinc/21/34/44/196213444.db2.gz CVXVGFUULQBPSZ-QGZVFWFLSA-N 1 0 318.465 2.138 10 0 DEAERO C[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000132210539 196235621 /nfs/dbraw/zinc/23/56/21/196235621.db2.gz LEOCCNQJMCJABC-STQMWFEESA-N 1 0 312.435 2.036 10 0 DEAERO C[NH2+][C@@H](c1cccc(OC2CC2)c1)[C@H]1CCCCS1(=O)=O ZINC000132359814 196248957 /nfs/dbraw/zinc/24/89/57/196248957.db2.gz QKDXZBCWJXEZQT-CVEARBPZSA-N 1 0 309.431 2.456 10 0 DEAERO CCOC[C@@H]1CCCN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000132395532 196252535 /nfs/dbraw/zinc/25/25/35/196252535.db2.gz WAGCIAIRZZOZBT-XHSDSOJGSA-N 1 0 311.470 2.173 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000132486632 196260119 /nfs/dbraw/zinc/26/01/19/196260119.db2.gz GZUSEKPABKBCLX-UWVGGRQHSA-N 1 0 322.352 2.154 10 0 DEAERO COCc1nc(N(C)Cc2ccc(Cl)cc2)cc(NN)[nH+]1 ZINC000132775202 196282559 /nfs/dbraw/zinc/28/25/59/196282559.db2.gz YOXFNKQEGOUKLT-UHFFFAOYSA-N 1 0 307.785 2.198 10 0 DEAERO CCC[C@@H](C(=O)N(C)Cc1ccc([S@@](C)=O)cc1)[NH+](C)C ZINC000132844037 196290375 /nfs/dbraw/zinc/29/03/75/196290375.db2.gz JQAKMQPPBYTLMO-BTYIYWSLSA-N 1 0 310.463 2.113 10 0 DEAERO CC(C)c1noc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000132866433 196291934 /nfs/dbraw/zinc/29/19/34/196291934.db2.gz LSVOXDDBNJIHIK-UONOGXRCSA-N 1 0 308.426 2.373 10 0 DEAERO C[C@@H]([NH2+]CCNC(N)=O)c1ccc(Br)cc1Cl ZINC000132781107 196283153 /nfs/dbraw/zinc/28/31/53/196283153.db2.gz VCKDHIAEWKOTAS-SSDOTTSWSA-N 1 0 320.618 2.421 10 0 DEAERO CCC[NH2+][C@H](Cc1cc(C)ccc1OC)[C@H](C)S(C)(=O)=O ZINC000133156242 196316840 /nfs/dbraw/zinc/31/68/40/196316840.db2.gz XDPRCBMIBMWZLP-DZGCQCFKSA-N 1 0 313.463 2.347 10 0 DEAERO COc1ccc(Br)c(C[C@@H](O)[C@@H]2CCC[NH2+]C2)c1 ZINC000133047002 196307424 /nfs/dbraw/zinc/30/74/24/196307424.db2.gz HIBGCLSQZZDMAM-QMTHXVAHSA-N 1 0 314.223 2.361 10 0 DEAERO CCOC(=O)Cc1csc(NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000133960583 196349596 /nfs/dbraw/zinc/34/95/96/196349596.db2.gz JFUVKHKVOMBVLP-GFCCVEGCSA-N 1 0 311.451 2.393 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)s1 ZINC000134006533 196353216 /nfs/dbraw/zinc/35/32/16/196353216.db2.gz NWZUXJJMRHIBCW-BXUZGUMPSA-N 1 0 316.492 2.496 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1F)[C@@H](C)S(C)(=O)=O ZINC000134214051 196370970 /nfs/dbraw/zinc/37/09/70/196370970.db2.gz JUNGLHZLKAIRTN-RNCFNFMXSA-N 1 0 307.818 2.433 10 0 DEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000134267799 196375134 /nfs/dbraw/zinc/37/51/34/196375134.db2.gz NYLMJEUYEPWWTE-LLVKDONJSA-N 1 0 317.842 2.218 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH3+])C[C@@H](C)OC ZINC000134451368 196392720 /nfs/dbraw/zinc/39/27/20/196392720.db2.gz MQZSYPMYMQHZMX-PSASIEDQSA-N 1 0 304.232 2.269 10 0 DEAERO CCc1nn(C)c(C[C@H](C[C@@H](C)OC)[NH2+]C)c1Br ZINC000134466001 196394093 /nfs/dbraw/zinc/39/40/93/196394093.db2.gz SWVQFBNPYFIOJM-ZJUUUORDSA-N 1 0 318.259 2.301 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]1CSC[C@@H]1[NH2+]C ZINC000134589913 196404427 /nfs/dbraw/zinc/40/44/27/196404427.db2.gz ABNHBIYHZXXTKB-UWVGGRQHSA-N 1 0 318.284 2.467 10 0 DEAERO CC[NH2+][C@@H]1CSC[C@@H]1c1nc(Cc2csc(C)n2)no1 ZINC000134808765 196421435 /nfs/dbraw/zinc/42/14/35/196421435.db2.gz ASOJUZFVPXYWEC-WDEREUQCSA-N 1 0 310.448 2.234 10 0 DEAERO Cc1ccnc2sc(C(=O)N[C@H]3CCCC[C@H]3[NH3+])c(N)c21 ZINC000135270569 196459718 /nfs/dbraw/zinc/45/97/18/196459718.db2.gz FRYOPWZSJILUQX-ZJUUUORDSA-N 1 0 304.419 2.187 10 0 DEAERO C[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CCO1 ZINC000135281388 196460456 /nfs/dbraw/zinc/46/04/56/196460456.db2.gz SABFPOZLJFRGMQ-SNVBAGLBSA-N 1 0 303.189 2.054 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)c1cccc2nccnc21 ZINC000137313262 196572221 /nfs/dbraw/zinc/57/22/21/196572221.db2.gz MRRVIPGOHWZYGI-CYBMUJFWSA-N 1 0 307.419 2.105 10 0 DEAERO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000262033322 287302845 /nfs/dbraw/zinc/30/28/45/287302845.db2.gz XTRJHJUDELURTL-DZVNLGKHSA-N 1 0 310.482 2.328 10 0 DEAERO C[C@@H]1C[NH+](CCC(=O)N2CCc3ccccc3C2)C[C@@H](C)O1 ZINC000188935062 225039881 /nfs/dbraw/zinc/03/98/81/225039881.db2.gz CKNVIJLHUJBKRS-HUUCEWRRSA-N 1 0 302.418 2.071 10 0 DEAERO CCn1c2ccc(F)cc2nc1CN(CCO)CCCOC ZINC000189925676 225067471 /nfs/dbraw/zinc/06/74/71/225067471.db2.gz OKGDZRRDTXIVIS-UHFFFAOYSA-N 1 0 309.385 2.026 10 0 DEAERO CCc1nn(C)cc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(OC)nc1 ZINC000299744889 229384986 /nfs/dbraw/zinc/38/49/86/229384986.db2.gz VFXDACGGFJUCGZ-DOTOQJQBSA-N 1 0 316.405 2.006 10 0 DEAERO CSc1ccc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nn1 ZINC000301673038 229814784 /nfs/dbraw/zinc/81/47/84/229814784.db2.gz APRIXGHHLHUSTL-ZIAGYGMSSA-N 1 0 322.478 2.378 10 0 DEAERO Cc1nnc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc1C ZINC000359523831 424830845 /nfs/dbraw/zinc/83/08/45/424830845.db2.gz IMOSXZIZUHJEPC-KRWDZBQOSA-N 1 0 311.433 2.955 10 0 DEAERO CC(C)([NH3+])c1cn(Cc2cc(Br)ccc2F)nn1 ZINC000070118842 424842169 /nfs/dbraw/zinc/84/21/69/424842169.db2.gz SVCIFXSSOWVLHI-UHFFFAOYSA-N 1 0 313.174 2.422 10 0 DEAERO CCc1ccc([C@H](C)[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)cc1 ZINC000121494103 424853495 /nfs/dbraw/zinc/85/34/95/424853495.db2.gz NWQCUBJYSTZQGE-QGTPRVQTSA-N 1 0 307.434 2.456 10 0 DEAERO Cc1cccc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000193444991 424869253 /nfs/dbraw/zinc/86/92/53/424869253.db2.gz PRNIFILIUQPMMP-UHFFFAOYSA-N 1 0 316.449 2.407 10 0 DEAERO CCOC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000193777870 424871100 /nfs/dbraw/zinc/87/11/00/424871100.db2.gz GFAPZONGFQENIV-GFCCVEGCSA-N 1 0 322.371 2.288 10 0 DEAERO CCN(C(=O)[C@@H](C)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000193808497 424871456 /nfs/dbraw/zinc/87/14/56/424871456.db2.gz IUYXENMCHBHYLC-OAHLLOKOSA-N 1 0 303.450 2.454 10 0 DEAERO CC(C)c1cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)no1 ZINC000333089012 424919207 /nfs/dbraw/zinc/91/92/07/424919207.db2.gz CCMLHDXPCCJBRH-ZDUSSCGKSA-N 1 0 306.410 2.794 10 0 DEAERO CC[C@@H](C)n1nc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)cc1C ZINC000333200686 424920199 /nfs/dbraw/zinc/92/01/99/424920199.db2.gz XQRULBQVZQFTBR-CYBMUJFWSA-N 1 0 319.453 2.770 10 0 DEAERO C[C@@H]1C[C@H](C)N(C(=O)c2coc(Br)c2)C[C@H]1C[NH3+] ZINC000397250226 424921703 /nfs/dbraw/zinc/92/17/03/424921703.db2.gz DCCSXZDCYKMVAB-WCABBAIRSA-N 1 0 315.211 2.488 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2cc(F)cc(Br)c2)CCOC1 ZINC000404147984 424925328 /nfs/dbraw/zinc/92/53/28/424925328.db2.gz NAKLKTXQHWLGTF-ZDUSSCGKSA-N 1 0 318.186 2.219 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2cc(Br)cs2)CCOC1 ZINC000404180542 424925467 /nfs/dbraw/zinc/92/54/67/424925467.db2.gz BNRXLFNMWWHECY-NSHDSACASA-N 1 0 306.225 2.142 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000249180543 424887342 /nfs/dbraw/zinc/88/73/42/424887342.db2.gz HYWLNAKERHACBX-VNHYZAJKSA-N 1 0 320.437 2.133 10 0 DEAERO Cn1cc(Cl)c(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccnn2C)n1 ZINC000657481313 425346556 /nfs/dbraw/zinc/34/65/56/425346556.db2.gz NRFIHMBWMKJONI-XHDPSFHLSA-N 1 0 323.828 2.065 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000029094704 267362502 /nfs/dbraw/zinc/36/25/02/267362502.db2.gz FPMDWIHGMKTYNY-CYBMUJFWSA-N 1 0 318.417 2.206 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2csc(NC(C)=O)n2)[C@H](C)C1 ZINC000079461485 267376403 /nfs/dbraw/zinc/37/64/03/267376403.db2.gz MQQOSTKGUUIOFP-RISCZKNCSA-N 1 0 310.467 2.264 10 0 DEAERO CCC1(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCC1 ZINC000084282921 267382314 /nfs/dbraw/zinc/38/23/14/267382314.db2.gz BVTUVZOYNMVBDV-UHFFFAOYSA-N 1 0 316.449 2.144 10 0 DEAERO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccc(C)c(F)c2)CC1 ZINC000088352689 267397876 /nfs/dbraw/zinc/39/78/76/267397876.db2.gz VLHYHQYBQUMCDZ-HNNXBMFYSA-N 1 0 321.440 2.339 10 0 DEAERO C[C@H](Cc1ccsc1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653076306 425396766 /nfs/dbraw/zinc/39/67/66/425396766.db2.gz QXOGZPSZMQNWDA-FBIMIBRVSA-N 1 0 306.353 2.193 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1ccccc1C ZINC000175053274 267513863 /nfs/dbraw/zinc/51/38/63/267513863.db2.gz YHTCLPIPKQZECK-ZWKOTPCHSA-N 1 0 315.461 2.170 10 0 DEAERO CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000194151543 267776785 /nfs/dbraw/zinc/77/67/85/267776785.db2.gz UKOSMHNGEWHAHB-OAHLLOKOSA-N 1 0 317.433 2.178 10 0 DEAERO CN(C(=O)c1cc(F)c(F)c(F)c1)[C@H](C[NH3+])C(F)(F)F ZINC000662977696 425770125 /nfs/dbraw/zinc/77/01/25/425770125.db2.gz BQHRUSHMSMOIFE-MRVPVSSYSA-N 1 0 300.202 2.066 10 0 DEAERO CN(C(=O)[C@@H]1Cc2ccccc2S1)[C@@H](C[NH3+])C(F)(F)F ZINC000662979241 425770576 /nfs/dbraw/zinc/77/05/76/425770576.db2.gz UUBXHFWZWKBDED-QWRGUYRKSA-N 1 0 304.337 2.051 10 0 DEAERO OCC1CC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000663374586 425833335 /nfs/dbraw/zinc/83/33/35/425833335.db2.gz LGVCHPPZAKDAHY-VQXHTEKXSA-N 1 0 320.216 2.094 10 0 DEAERO O=C(NC[C@@H]1SCCc2ccccc21)N[C@H]1CCCC[NH2+]C1 ZINC000333390213 268938208 /nfs/dbraw/zinc/93/82/08/268938208.db2.gz ORKRUTYGLQMFEZ-HOCLYGCPSA-N 1 0 319.474 2.458 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000333650520 268971030 /nfs/dbraw/zinc/97/10/30/268971030.db2.gz JSLDRCDWCUWYCY-DJIMGWMZSA-N 1 0 316.449 2.271 10 0 DEAERO CC(C)[C@@H]1N(C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@]12CCCO2 ZINC000333891054 269000696 /nfs/dbraw/zinc/00/06/96/269000696.db2.gz YFVNGHBEIKEDFC-HLLBOEOZSA-N 1 0 309.454 2.103 10 0 DEAERO NC(=O)[C@@H]1CC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000334069221 269014799 /nfs/dbraw/zinc/01/47/99/269014799.db2.gz FWQBYOYBDOLMGC-QLFBSQMISA-N 1 0 322.453 2.350 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CC2(C)C)CC1 ZINC000397582985 269106476 /nfs/dbraw/zinc/10/64/76/269106476.db2.gz HXMXPFWIKMWFDR-JSGCOSHPSA-N 1 0 302.484 2.215 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000430239932 269127657 /nfs/dbraw/zinc/12/76/57/269127657.db2.gz NVAXLOGPBXSGNC-SJLPKXTDSA-N 1 0 312.417 2.327 10 0 DEAERO COC[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cn1)OC ZINC000516829973 269369576 /nfs/dbraw/zinc/36/95/76/269369576.db2.gz JVNQPJDSDMAUAB-GXSJLCMTSA-N 1 0 303.200 2.156 10 0 DEAERO c1nn2c(c1-c1nc(-c3ccn4c[nH+]cc4c3)no1)OCCC2 ZINC000516836102 269369710 /nfs/dbraw/zinc/36/97/10/269369710.db2.gz DJSFEHFQLYFLIW-UHFFFAOYSA-N 1 0 308.301 2.030 10 0 DEAERO CC(C)c1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000184810021 273563455 /nfs/dbraw/zinc/56/34/55/273563455.db2.gz OJMRKVOYOTUNGR-JKSUJKDBSA-N 1 0 317.433 2.382 10 0 DEAERO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)[C@H]1CCCO1 ZINC000183165974 274245799 /nfs/dbraw/zinc/24/57/99/274245799.db2.gz YXKSQVGYCZCEGV-ZYHUDNBSSA-N 1 0 321.402 2.499 10 0 DEAERO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000184490366 275697031 /nfs/dbraw/zinc/69/70/31/275697031.db2.gz BUXJLEMLXRAIKB-UONOGXRCSA-N 1 0 304.438 2.410 10 0 DEAERO CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000365071357 275759360 /nfs/dbraw/zinc/75/93/60/275759360.db2.gz ZUXHNRSMBQAYCO-RCCFBDPRSA-N 1 0 308.466 2.430 10 0 DEAERO CC(=O)Nc1ccc(N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262031919 275794540 /nfs/dbraw/zinc/79/45/40/275794540.db2.gz XQHOROMUEHSZAW-ZACQAIPSSA-N 1 0 303.406 2.214 10 0 DEAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000178708205 275935985 /nfs/dbraw/zinc/93/59/85/275935985.db2.gz PGJYOAQXGLKCGF-OAHLLOKOSA-N 1 0 305.422 2.492 10 0 DEAERO CC1CCN([C@@H](CNC2=[NH+]CCCN2)c2cccs2)CC1 ZINC000261738380 275941693 /nfs/dbraw/zinc/94/16/93/275941693.db2.gz IAWRHMMPLSPNRL-AWEZNQCLSA-N 1 0 306.479 2.460 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C12CCC2 ZINC000261958369 276481120 /nfs/dbraw/zinc/48/11/20/276481120.db2.gz PFIWJUZMMVREIE-JZAWBGDQSA-N 1 0 308.466 2.081 10 0 DEAERO CN(C)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCCCCC1 ZINC000106457453 276828573 /nfs/dbraw/zinc/82/85/73/276828573.db2.gz ABTFARALYHYFGW-SFHVURJKSA-N 1 0 317.477 2.152 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3COc4ccccc43)CC[C@H]21 ZINC000247968120 277067705 /nfs/dbraw/zinc/06/77/05/277067705.db2.gz HAUSRBIUKCQMFU-VNQPRFMTSA-N 1 0 300.402 2.105 10 0 DEAERO C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000360501894 277075107 /nfs/dbraw/zinc/07/51/07/277075107.db2.gz ZNMZUZUDSPVMPL-INIZCTEOSA-N 1 0 300.402 2.176 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccncc2)[C@H]1c1ccccc1 ZINC000245630404 277136658 /nfs/dbraw/zinc/13/66/58/277136658.db2.gz HOWOPGGBRJKFEN-IAGOWNOFSA-N 1 0 310.401 2.326 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC000133764232 277150182 /nfs/dbraw/zinc/15/01/82/277150182.db2.gz RLRCWSVAMJANMG-GOEBONIOSA-N 1 0 323.481 2.460 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cnc3ccccc3n2)C1 ZINC000246749773 277181726 /nfs/dbraw/zinc/18/17/26/277181726.db2.gz POWJSSSQUHPFFL-GUYCJALGSA-N 1 0 310.401 2.186 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000248409788 277220633 /nfs/dbraw/zinc/22/06/33/277220633.db2.gz CVDKKDNGWHQUCH-HZMVEIRTSA-N 1 0 323.481 2.317 10 0 DEAERO CC(C)(CNC(=O)[C@H]1CCCc2n[nH]cc21)[NH+]1CCCCC1 ZINC000132381354 277302382 /nfs/dbraw/zinc/30/23/82/277302382.db2.gz ZRAXBDXZVJMATA-ZDUSSCGKSA-N 1 0 304.438 2.210 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246308333 277393257 /nfs/dbraw/zinc/39/32/57/277393257.db2.gz IADSZFSVUYVCGG-GVDBMIGSSA-N 1 0 323.481 2.317 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000188462839 277441272 /nfs/dbraw/zinc/44/12/72/277441272.db2.gz YQVKFCLWJBMNKI-HNNXBMFYSA-N 1 0 313.486 2.298 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000246904647 277519253 /nfs/dbraw/zinc/51/92/53/277519253.db2.gz FNSPSQUCRJHENM-YGHRGLEHSA-N 1 0 324.490 2.185 10 0 DEAERO CC(=O)N[C@H](CC(=O)N[C@](C)(C[NH3+])CC(C)C)c1ccccc1 ZINC000236671819 278173033 /nfs/dbraw/zinc/17/30/33/278173033.db2.gz HCAASSFVPDWKFX-AEFFLSMTSA-N 1 0 319.449 2.134 10 0 DEAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cccc2c1OCO2 ZINC000185419417 278255572 /nfs/dbraw/zinc/25/55/72/278255572.db2.gz XIVSRWUBVOKYSR-ZDUSSCGKSA-N 1 0 304.390 2.410 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)[C@H]1CCCO1 ZINC000183087067 278338193 /nfs/dbraw/zinc/33/81/93/278338193.db2.gz WGLGVOSXLWHIEN-TZMCWYRMSA-N 1 0 306.431 2.282 10 0 DEAERO C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261722318 278381807 /nfs/dbraw/zinc/38/18/07/278381807.db2.gz LQLGKCKRCANCGX-RYUDHWBXSA-N 1 0 305.397 2.283 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261735040 278664208 /nfs/dbraw/zinc/66/42/08/278664208.db2.gz RQFIANGOTXSTKA-CQSZACIVSA-N 1 0 310.463 2.360 10 0 DEAERO C[C@H](CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000246720766 279245627 /nfs/dbraw/zinc/24/56/27/279245627.db2.gz LJIDPIGLKISMSH-PMPSAXMXSA-N 1 0 304.434 2.094 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1c1cccn1C ZINC000246485728 279332561 /nfs/dbraw/zinc/33/25/61/279332561.db2.gz VZCSCHQXFNTMBC-HOCLYGCPSA-N 1 0 304.438 2.356 10 0 DEAERO Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@@]4(CC=CCC4)C3)C2=O)cn1 ZINC000114494419 279341039 /nfs/dbraw/zinc/34/10/39/279341039.db2.gz HPOZFENHVLDSIR-WMZOPIPTSA-N 1 0 314.433 2.348 10 0 DEAERO CC1(C)C[C@@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C(C)(C)O1 ZINC000183573383 281308314 /nfs/dbraw/zinc/30/83/14/281308314.db2.gz XLJGHAPCXBKERR-ZIAGYGMSSA-N 1 0 309.454 2.212 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCCCS(=O)(=O)CC ZINC000248967184 288316839 /nfs/dbraw/zinc/31/68/39/288316839.db2.gz BUZFWIXPKQLPLW-HOTGVXAUSA-N 1 0 316.511 2.150 10 0 DEAERO CC[C@]1(C)C[C@H]1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000136948465 281338112 /nfs/dbraw/zinc/33/81/12/281338112.db2.gz ZNXXKNYRBNFGCR-XYJFISCASA-N 1 0 307.482 2.051 10 0 DEAERO CNC(=O)Cc1nc(CN2CCCC[C@@H](SC)C2)cs1 ZINC000134609344 282047047 /nfs/dbraw/zinc/04/70/47/282047047.db2.gz XZBRSYMSHYKIHL-GFCCVEGCSA-N 1 0 313.492 2.149 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@](C)(O)CC2)CC1 ZINC000408287788 289101078 /nfs/dbraw/zinc/10/10/78/289101078.db2.gz TYWQWNFDYKJJOQ-VMBOVVBDSA-N 1 0 311.470 2.053 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)cc1N(C)C ZINC000180594369 290026912 /nfs/dbraw/zinc/02/69/12/290026912.db2.gz GCCRCVNPHYUXEW-WCQYABFASA-N 1 0 303.385 2.149 10 0 DEAERO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)N1CCCCCC1 ZINC000128695669 295521317 /nfs/dbraw/zinc/52/13/17/295521317.db2.gz UMDHSBRQQSPXIR-HZPDHXFCSA-N 1 0 304.438 2.359 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N2Cc3ccccc3N(C)C[C@H]2C)CC[NH2+]1 ZINC000262433625 300403040 /nfs/dbraw/zinc/40/30/40/300403040.db2.gz WWRDEHTYLXGBJI-ZNMIVQPWSA-N 1 0 301.434 2.242 10 0 DEAERO Cc1ccc(N(C)C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000262549307 301619442 /nfs/dbraw/zinc/61/94/42/301619442.db2.gz SCPCUPDXQQPULI-RLFYNMQTSA-N 1 0 302.418 2.490 10 0 DEAERO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000341581737 302496922 /nfs/dbraw/zinc/49/69/22/302496922.db2.gz HDUVUUNQSVUFFZ-ZNMIVQPWSA-N 1 0 319.453 2.356 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)[C@H]2CCC(=O)c3cccn32)CC1 ZINC000572902993 325995512 /nfs/dbraw/zinc/99/55/12/325995512.db2.gz CQFVUOPNMZWLMJ-MRXNPFEDSA-N 1 0 317.433 2.244 10 0 DEAERO C[C@H](CCNC(=O)NCCOCC1CCC1)[NH+]1CCCCC1 ZINC000576516028 326299240 /nfs/dbraw/zinc/29/92/40/326299240.db2.gz KOFGFLZQJYLJTL-OAHLLOKOSA-N 1 0 311.470 2.367 10 0 DEAERO COC[C@@H](C)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000187159922 332958496 /nfs/dbraw/zinc/95/84/96/332958496.db2.gz FXAMAJSPKUGYBK-LBPRGKRZSA-N 1 0 308.422 2.373 10 0 DEAERO COC[C@@H](C)C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000188568285 333049221 /nfs/dbraw/zinc/04/92/21/333049221.db2.gz VYVQPGRMCLZMMM-NSHDSACASA-N 1 0 306.328 2.437 10 0 DEAERO COC[C@H](C)C[NH+]1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000189570257 333117743 /nfs/dbraw/zinc/11/77/43/333117743.db2.gz ZQDJSAHBPBCDAT-CQSZACIVSA-N 1 0 310.413 2.234 10 0 DEAERO CCOc1ccc(CN2CC[NH+](C[C@@H](C)COC)CC2)cc1 ZINC000189602141 333154922 /nfs/dbraw/zinc/15/49/22/333154922.db2.gz LVHSRBYKWPYUJO-MRXNPFEDSA-N 1 0 306.450 2.485 10 0 DEAERO COC[C@@H](C)C[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000189621738 333164816 /nfs/dbraw/zinc/16/48/16/333164816.db2.gz CJSKSRKAYLBFMG-ZDUSSCGKSA-N 1 0 310.825 2.380 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccc2c(c1)OCO2 ZINC000182260494 333177158 /nfs/dbraw/zinc/17/71/58/333177158.db2.gz FUBWGUCDZWVHCI-NSHDSACASA-N 1 0 316.401 2.371 10 0 DEAERO COC[C@H](C)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000189640583 333190993 /nfs/dbraw/zinc/19/09/93/333190993.db2.gz MAFYPEJQJAGGPS-CQSZACIVSA-N 1 0 308.397 2.256 10 0 DEAERO C[C@H]([NH2+]CCCn1ccnn1)c1ncc(Br)s1 ZINC000184270332 333194149 /nfs/dbraw/zinc/19/41/49/333194149.db2.gz BEPDTJBSYCHKSO-QMMMGPOBSA-N 1 0 316.228 2.238 10 0 DEAERO c1ccc(Cc2nc(CN3CCC[C@]4(CC[NH2+]C4)C3)no2)cc1 ZINC000583684279 336698128 /nfs/dbraw/zinc/69/81/28/336698128.db2.gz QWYNGGKFXSKMAR-GOSISDBHSA-N 1 0 312.417 2.236 10 0 DEAERO Cn1c2ccc(C[NH2+]C[C@@H]3CCC[C@H](O)C3)cc2sc1=O ZINC000192593019 341876641 /nfs/dbraw/zinc/87/66/41/341876641.db2.gz IHQPSIXHNMOSJF-YPMHNXCESA-N 1 0 306.431 2.241 10 0 DEAERO COc1ccc(C[C@@H](C)C[NH2+]Cc2cc(C(N)=O)co2)cc1F ZINC000190010686 533749847 /nfs/dbraw/zinc/74/98/47/533749847.db2.gz FKDGWNURSCQTAW-LLVKDONJSA-N 1 0 320.364 2.495 10 0 DEAERO C[C@@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH3+] ZINC000423942027 534306021 /nfs/dbraw/zinc/30/60/21/534306021.db2.gz FGEQBWMHEANUEH-PELKAZGASA-N 1 0 303.189 2.178 10 0 DEAERO C/C(=C/c1ccccc1)C[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338356036 518413836 /nfs/dbraw/zinc/41/38/36/518413836.db2.gz JWMUJPVZJVSHTR-HKBKRHGFSA-N 1 0 322.474 2.303 10 0 DEAERO C/C(=C\c1ccccc1)C[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338356034 518443881 /nfs/dbraw/zinc/44/38/81/518443881.db2.gz JWMUJPVZJVSHTR-GSPCDJLXSA-N 1 0 322.474 2.303 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000365973830 519450779 /nfs/dbraw/zinc/45/07/79/519450779.db2.gz FPGXYZIYMDVQJD-NVXWUHKLSA-N 1 0 315.417 2.026 10 0 DEAERO CC(C)CC[C@@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112271537 519682533 /nfs/dbraw/zinc/68/25/33/519682533.db2.gz SENXYOAHPCTNPH-OAHLLOKOSA-N 1 0 318.465 2.388 10 0 DEAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H](C)c2cnn(C)c2)C1 ZINC000245654650 519731512 /nfs/dbraw/zinc/73/15/12/519731512.db2.gz CRTOOKPCWSSGMY-HUUCEWRRSA-N 1 0 321.469 2.100 10 0 DEAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H](CC)c2nccs2)C1(C)C ZINC000229572089 520396404 /nfs/dbraw/zinc/39/64/04/520396404.db2.gz NEUFZBRCMQEDNR-FIXISWKDSA-N 1 0 311.451 2.243 10 0 DEAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H](CC)c2nccs2)C1(C)C ZINC000249112396 520396582 /nfs/dbraw/zinc/39/65/82/520396582.db2.gz NEUFZBRCMQEDNR-UEKVPHQBSA-N 1 0 311.451 2.243 10 0 DEAERO CCN(CCc1nccs1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000162082288 521175802 /nfs/dbraw/zinc/17/58/02/521175802.db2.gz JHHILQKZESOXTG-UHFFFAOYSA-N 1 0 324.494 2.449 10 0 DEAERO CCCN(C[C@H]1CCCCO1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000106534038 521677022 /nfs/dbraw/zinc/67/70/22/521677022.db2.gz IXRBHYAHKBIZHR-DOTOQJQBSA-N 1 0 323.481 2.461 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ncccc2C)[C@H](C)C1 ZINC000129083117 521712048 /nfs/dbraw/zinc/71/20/48/521712048.db2.gz CBFVXUMIJPCYOO-GDBMZVCRSA-N 1 0 304.438 2.262 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000131235193 522052847 /nfs/dbraw/zinc/05/28/47/522052847.db2.gz REZGAZSNHDKVBS-MRXNPFEDSA-N 1 0 301.434 2.355 10 0 DEAERO COCC[N@@H+]1CCN(CCCOc2ccc(OC)cc2)C[C@H]1C ZINC000105832586 523852868 /nfs/dbraw/zinc/85/28/68/523852868.db2.gz OSPDNGPKBRFHDX-MRXNPFEDSA-N 1 0 322.449 2.117 10 0 DEAERO COCC[N@@H+]1CCN(CCOc2ccccc2Cl)C[C@@H]1C ZINC000105831814 523853955 /nfs/dbraw/zinc/85/39/55/523853955.db2.gz KHHZGOPBOVKLTJ-AWEZNQCLSA-N 1 0 312.841 2.371 10 0 DEAERO Cc1ccc([C@@H](C)CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000162209040 525680432 /nfs/dbraw/zinc/68/04/32/525680432.db2.gz PUEFPJCYNURSSO-RDJZCZTQSA-N 1 0 319.449 2.071 10 0 DEAERO CC(=O)c1ccc(SCC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1F ZINC000261810426 534878460 /nfs/dbraw/zinc/87/84/60/534878460.db2.gz MOWGPOCNKAZJGS-PWSUYJOCSA-N 1 0 324.421 2.316 10 0 DEAERO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)cc1Cl ZINC000237613457 525748423 /nfs/dbraw/zinc/74/84/23/525748423.db2.gz KWKZJRVONONYKJ-GFCCVEGCSA-N 1 0 323.245 2.317 10 0 DEAERO C[C@@]1(CNC(=O)C2(O)CCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000154840662 525832311 /nfs/dbraw/zinc/83/23/11/525832311.db2.gz CHYVUGDMRHKSDY-KRWDZBQOSA-N 1 0 302.418 2.072 10 0 DEAERO CC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000450640207 534887911 /nfs/dbraw/zinc/88/79/11/534887911.db2.gz GAOJLZBKTNOLAV-SJORKVTESA-N 1 0 300.402 2.380 10 0 DEAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000161781230 525882942 /nfs/dbraw/zinc/88/29/42/525882942.db2.gz IHVKWLQLAOBAKY-HUUCEWRRSA-N 1 0 322.474 2.389 10 0 DEAERO CC(=O)c1ccccc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261830389 534916192 /nfs/dbraw/zinc/91/61/92/534916192.db2.gz XPGNSANQXOGOEI-YIONKMFJSA-N 1 0 315.417 2.043 10 0 DEAERO Cc1noc(C)c1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119521145 526492033 /nfs/dbraw/zinc/49/20/33/526492033.db2.gz KCZRTYFVWGEWRB-UHFFFAOYSA-N 1 0 322.453 2.254 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000246250956 527367234 /nfs/dbraw/zinc/36/72/34/527367234.db2.gz JVXZSFYWBRCEGZ-MCIONIFRSA-N 1 0 301.415 2.476 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000238013647 527401715 /nfs/dbraw/zinc/40/17/15/527401715.db2.gz JLZGWCWMFHDZAN-WBVHZDCISA-N 1 0 316.445 2.369 10 0 DEAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC(OCCc3ccccc3)CC2)C1 ZINC000237858234 527411135 /nfs/dbraw/zinc/41/11/35/527411135.db2.gz ALIWJMDSAVMHNJ-SJORKVTESA-N 1 0 316.445 2.364 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237508925 527645005 /nfs/dbraw/zinc/64/50/05/527645005.db2.gz VWSMKHJHOTWPAJ-GQGQLFGLSA-N 1 0 318.465 2.005 10 0 DEAERO CCC[C@@]1(COC)CCCN1C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000193471778 527958093 /nfs/dbraw/zinc/95/80/93/527958093.db2.gz YPXWIVAFZDIVBD-RDJZCZTQSA-N 1 0 311.470 2.461 10 0 DEAERO CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCC(C)(C)O2)CC1 ZINC000188197553 528191131 /nfs/dbraw/zinc/19/11/31/528191131.db2.gz ZSSIUIWQXYJFJM-OAHLLOKOSA-N 1 0 311.470 2.460 10 0 DEAERO CCCNC(=O)c1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)cc1Cl ZINC000262302960 535134701 /nfs/dbraw/zinc/13/47/01/535134701.db2.gz BBFNHFAFSSOGTH-JTQLQIEISA-N 1 0 323.824 2.274 10 0 DEAERO CCCOC(=O)[C@@H](C)N1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247035587 535217759 /nfs/dbraw/zinc/21/77/59/535217759.db2.gz VCQBXSYIQPJUCO-CABCVRRESA-N 1 0 305.422 2.466 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)C2CC2)C12CCOCC2 ZINC000251676666 535418638 /nfs/dbraw/zinc/41/86/38/535418638.db2.gz MRDSCJAETMMQSD-OAGGEKHMSA-N 1 0 319.449 2.435 10 0 DEAERO CCNC(=O)c1ccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000262560697 535433395 /nfs/dbraw/zinc/43/33/95/535433395.db2.gz VJLLSQFFOVHCLS-AWEZNQCLSA-N 1 0 303.406 2.153 10 0 DEAERO CCN(CC)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000193438081 535459107 /nfs/dbraw/zinc/45/91/07/535459107.db2.gz JKDUZSJGQNHYBV-DOMZBBRYSA-N 1 0 311.376 2.462 10 0 DEAERO CCCc1nc(CN2CC[NH2+]C[C@H]2c2ccccc2OC)no1 ZINC000261668720 535527183 /nfs/dbraw/zinc/52/71/83/535527183.db2.gz HMIVCPYAMOEKFM-AWEZNQCLSA-N 1 0 316.405 2.177 10 0 DEAERO CCOCC[N@@H+]1CCN([C@H](C)c2nc(C3CC3)no2)C[C@H]1CC ZINC000247381482 535608120 /nfs/dbraw/zinc/60/81/20/535608120.db2.gz VXVVQIUWMJHSCT-UKRRQHHQSA-N 1 0 322.453 2.441 10 0 DEAERO CCOC(=O)CN[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000253354833 535684092 /nfs/dbraw/zinc/68/40/92/535684092.db2.gz MRDFTLBJYCTKJF-WMZOPIPTSA-N 1 0 318.417 2.126 10 0 DEAERO C[NH+](C)CCCCCCCNC(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251645857 535826049 /nfs/dbraw/zinc/82/60/49/535826049.db2.gz HIJFICLAHXHQOB-XHSDSOJGSA-N 1 0 311.470 2.365 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)C1CCOCC1 ZINC000246302171 535874059 /nfs/dbraw/zinc/87/40/59/535874059.db2.gz YCNANZBWSHZUBR-FVQBIDKESA-N 1 0 309.454 2.070 10 0 DEAERO CCc1noc([C@@H](C)N2CCN(CCC[NH+](CC)CC)CC2)n1 ZINC000191485386 535896461 /nfs/dbraw/zinc/89/64/61/535896461.db2.gz RHRZCSYNZCPJLD-OAHLLOKOSA-N 1 0 323.485 2.043 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccccc1 ZINC000251586911 535951735 /nfs/dbraw/zinc/95/17/35/535951735.db2.gz FIYZYVNOGWBOLP-YVSFHVDLSA-N 1 0 317.433 2.156 10 0 DEAERO CC[C@H](Oc1ccccc1F)C(=O)NCCNc1cc[nH+]cc1 ZINC000359089204 536054611 /nfs/dbraw/zinc/05/46/11/536054611.db2.gz YHENPXSGCALLFX-HNNXBMFYSA-N 1 0 317.364 2.028 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc(-c2ccc3c(c2)NC(=O)CCS3)n1 ZINC000261777075 536346907 /nfs/dbraw/zinc/34/69/07/536346907.db2.gz NOZODMBUZWPLBX-VIFPVBQESA-N 1 0 318.402 2.321 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)c2cnc[nH]2)[C@@H]1c1cccs1 ZINC000357219373 536386675 /nfs/dbraw/zinc/38/66/75/536386675.db2.gz KXDBYVNUSVDRMS-BXUZGUMPSA-N 1 0 304.419 2.284 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2nc3cccnc3s2)C1 ZINC000248757930 536472836 /nfs/dbraw/zinc/47/28/36/536472836.db2.gz XGDIBWNFCCMIRJ-WCQYABFASA-N 1 0 316.430 2.248 10 0 DEAERO CN1CC[C@H]([N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)C1=O ZINC000246574071 536478060 /nfs/dbraw/zinc/47/80/60/536478060.db2.gz LNMAKLXVHOVMFB-GJZGRUSLSA-N 1 0 304.365 2.094 10 0 DEAERO COc1ccc(-c2nc(CN3CC[N@H+](C)[C@@H](C)[C@@H]3C)no2)cc1 ZINC000357043050 536513036 /nfs/dbraw/zinc/51/30/36/536513036.db2.gz SLPREGYCEOFNFC-STQMWFEESA-N 1 0 316.405 2.270 10 0 DEAERO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000471782440 536706582 /nfs/dbraw/zinc/70/65/82/536706582.db2.gz SHOXYZXJVDUMLJ-OSAQELSMSA-N 1 0 312.435 2.276 10 0 DEAERO COCc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)o1 ZINC000261626554 536743379 /nfs/dbraw/zinc/74/33/79/536743379.db2.gz AKCYPIXVMAQLHU-UHFFFAOYSA-N 1 0 302.374 2.070 10 0 DEAERO CO[C@@]1(C)C[C@H](NC(=O)NCC[N@H+]2CC=C(C)CC2)C1(C)C ZINC000358174711 536830743 /nfs/dbraw/zinc/83/07/43/536830743.db2.gz YRNDWGTXHNVTAG-YOEHRIQHSA-N 1 0 309.454 2.141 10 0 DEAERO COc1ccc(-c2ccccc2)cc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000262128012 536896668 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DEAERO Cc1nc(C[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C2)no1 ZINC000896156910 638383302 /nfs/dbraw/zinc/38/33/02/638383302.db2.gz VIUYJZDRGNRYIP-ZIAGYGMSSA-N 1 0 320.437 2.032 10 0 DEAERO CC(C)c1cnc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000749534786 638658421 /nfs/dbraw/zinc/65/84/21/638658421.db2.gz CRIWEFWLDVAFBY-SOUVJXGZSA-N 1 0 307.438 2.482 10 0 DEAERO C[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccncc1 ZINC000749587981 638661481 /nfs/dbraw/zinc/66/14/81/638661481.db2.gz BXDWQDYDIJYVBP-VNQPRFMTSA-N 1 0 304.438 2.357 10 0 DEAERO COC(OC)[C@@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000079606034 639723264 /nfs/dbraw/zinc/72/32/64/639723264.db2.gz ASXHIEKPIIYLJS-SECBINFHSA-N 1 0 301.770 2.208 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000192529370 640868011 /nfs/dbraw/zinc/86/80/11/640868011.db2.gz CTUQBLBWPDYGOI-MSOLQXFVSA-N 1 0 306.450 2.199 10 0 DEAERO CCCn1ncc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1C1CC1 ZINC000093989772 641436071 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C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nc2n(c1=S)CCCCC2 ZINC000153221870 647390367 /nfs/dbraw/zinc/39/03/67/647390367.db2.gz CHXQPCNQJFBQIR-ZIAGYGMSSA-N 1 0 321.494 2.266 10 0 DEAERO CN(C)c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(Cl)n1 ZINC000733096156 647865333 /nfs/dbraw/zinc/86/53/33/647865333.db2.gz SDDZLDOTKUJELK-OLZOCXBDSA-N 1 0 322.840 2.158 10 0 DEAERO COc1ccc(CNC(=O)CCCCC[NH3+])cc1OC(F)F ZINC000154426969 648008515 /nfs/dbraw/zinc/00/85/15/648008515.db2.gz KBHKRIHGPCJUPG-UHFFFAOYSA-N 1 0 316.348 2.432 10 0 DEAERO CC[C@H]1CN(Cc2cnc(Cl)s2)CCN1CCOC ZINC000175432179 648348125 /nfs/dbraw/zinc/34/81/25/648348125.db2.gz GJBGZGBTJNQMFJ-NSHDSACASA-N 1 0 303.859 2.339 10 0 DEAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1cccnc1Cl ZINC000182912125 649007332 /nfs/dbraw/zinc/00/73/32/649007332.db2.gz FBKXMDGYMQOMPU-SMDDNHRTSA-N 1 0 319.792 2.385 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)Cc2ccc(F)cc2)C1 ZINC000073184897 649654576 /nfs/dbraw/zinc/65/45/76/649654576.db2.gz OPXWGJWCRFTBNP-MRXNPFEDSA-N 1 0 309.381 2.268 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC1CCCCCCC1 ZINC000113270558 651679056 /nfs/dbraw/zinc/67/90/56/651679056.db2.gz NBLUTRPBIBLIOS-DOTOQJQBSA-N 1 0 307.482 2.384 10 0 DEAERO CC(C)C[C@H](C[NH3+])Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000111377179 652560516 /nfs/dbraw/zinc/56/05/16/652560516.db2.gz AYSBQQLLUNIEHV-LLVKDONJSA-N 1 0 306.378 2.468 10 0 DEAERO C[C@@H]1[NH2+]CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)[C@H]1C ZINC000379501376 685391706 /nfs/dbraw/zinc/39/17/06/685391706.db2.gz WMJLSMHIVYQHST-SKWDFFSCSA-N 1 0 314.838 2.323 10 0 DEAERO CN1CCC[C@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000382504423 685404116 /nfs/dbraw/zinc/40/41/16/685404116.db2.gz MDSVVQPDVBPZSH-KKUMJFAQSA-N 1 0 311.470 2.364 10 0 DEAERO C[C@@H]1[C@H]([NH2+]CCc2cn(C)cn2)CCCN1C(=O)OC(C)(C)C ZINC000396679487 685463079 /nfs/dbraw/zinc/46/30/79/685463079.db2.gz VBOWQIQBHRXAAX-UKRRQHHQSA-N 1 0 322.453 2.340 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000075609611 683937484 /nfs/dbraw/zinc/93/74/84/683937484.db2.gz UKSOOBJZOZHMKX-CJNGLKHVSA-N 1 0 303.406 2.026 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(Cl)nc1 ZINC000079609782 683974042 /nfs/dbraw/zinc/97/40/42/683974042.db2.gz LAPQQNAHRUXCSW-GFCCVEGCSA-N 1 0 310.829 2.409 10 0 DEAERO C[N@H+](C[C@H](O)COCc1ccccc1)CC1(O)CCCCC1 ZINC000116402239 684065045 /nfs/dbraw/zinc/06/50/45/684065045.db2.gz RSPURLKYYJNOGC-KRWDZBQOSA-N 1 0 307.434 2.191 10 0 DEAERO COC(=O)[C@H](C)C[N@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1 ZINC000120338237 684095070 /nfs/dbraw/zinc/09/50/70/684095070.db2.gz HKTFWQTUCFQGEO-GDBMZVCRSA-N 1 0 319.401 2.251 10 0 DEAERO C[NH+](C)CCCOC(=O)c1cc(N)ccc1Br ZINC000122381934 684115215 /nfs/dbraw/zinc/11/52/15/684115215.db2.gz JZUKNMYJRUPFOZ-UHFFFAOYSA-N 1 0 301.184 2.140 10 0 DEAERO COCc1cc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)ccc1OC ZINC000125709309 684148039 /nfs/dbraw/zinc/14/80/39/684148039.db2.gz ZGKAMIGGWJVSDB-KSSFIOAISA-N 1 0 323.433 2.281 10 0 DEAERO C[N@H+](CCCOC(=O)CCn1cccn1)Cc1ccccc1 ZINC000129496142 684179708 /nfs/dbraw/zinc/17/97/08/684179708.db2.gz JNYVDPFVTQOHSB-UHFFFAOYSA-N 1 0 301.390 2.339 10 0 DEAERO COC(=O)COc1c(C)cc(C[NH2+]CC2(CCO)CC2)cc1C ZINC000189995600 684393604 /nfs/dbraw/zinc/39/36/04/684393604.db2.gz SDBNJIYVYUXMIN-UHFFFAOYSA-N 1 0 321.417 2.107 10 0 DEAERO CCOC1CC(CC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000190508804 684406784 /nfs/dbraw/zinc/40/67/84/684406784.db2.gz HEVSKARFSMTWSS-ADKAHSJRSA-N 1 0 318.461 2.481 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(NC(=O)OC)cc1 ZINC000192645610 684454427 /nfs/dbraw/zinc/45/44/27/684454427.db2.gz RFDROMCQAUMIGD-LBPRGKRZSA-N 1 0 307.394 2.325 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+]C[C@H](O)c2ccccc2)c2ccccc21 ZINC000192959445 684461611 /nfs/dbraw/zinc/46/16/11/684461611.db2.gz SXGMHOYCAYQPMV-HOTGVXAUSA-N 1 0 317.410 2.228 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1csc(-c2ccccn2)n1 ZINC000193591907 685044427 /nfs/dbraw/zinc/04/44/27/685044427.db2.gz RAOKHDNWFDFUAQ-WDEREUQCSA-N 1 0 302.403 2.075 10 0 DEAERO CCOCC[N@@H+]1CCN(C[C@@H](O)c2cc(C)cc(C)c2)C[C@H]1C ZINC000246696825 685134495 /nfs/dbraw/zinc/13/44/95/685134495.db2.gz JBWJHKXRIXCOSJ-IEBWSBKVSA-N 1 0 320.477 2.379 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247059894 685141686 /nfs/dbraw/zinc/14/16/86/685141686.db2.gz WBKHPNKEKBLQBP-PMPSAXMXSA-N 1 0 323.481 2.412 10 0 DEAERO COCC[N@@H+]1CCN(C[C@@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000247154944 685143745 /nfs/dbraw/zinc/14/37/45/685143745.db2.gz LXTZCJWHGDBUEX-XJKSGUPXSA-N 1 0 312.841 2.026 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)C1 ZINC000252656693 685193799 /nfs/dbraw/zinc/19/37/99/685193799.db2.gz NURSRHPMLQBIPQ-WQVCFCJDSA-N 1 0 315.417 2.105 10 0 DEAERO CC(=O)N1C[C@H]([NH2+]Cc2ccncc2)CC[C@H]1C(F)(F)F ZINC000886027685 691986861 /nfs/dbraw/zinc/98/68/61/691986861.db2.gz DNBRALLGPDAZMH-OLZOCXBDSA-N 1 0 301.312 2.113 10 0 DEAERO CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)CC[C@@H]1C(F)(F)F ZINC000886054700 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IJVKKEHAWPINLQ-SNVBAGLBSA-N 1 0 304.232 2.191 10 0 DEAERO CO[C@@]1(C[NH2+][C@@H]2CCCC(C)(C)CC2)CCS(=O)(=O)C1 ZINC000721254681 780762646 /nfs/dbraw/zinc/76/26/46/780762646.db2.gz JYHYAHJGONJZEN-UKRRQHHQSA-N 1 0 303.468 2.139 10 0 DEAERO Cc1csc(CCCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000174602865 783381297 /nfs/dbraw/zinc/38/12/97/783381297.db2.gz SLIUZOSCPBOGPG-CQSZACIVSA-N 1 0 320.462 2.040 10 0 DEAERO CCc1nnc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)s1 ZINC000185715736 784293646 /nfs/dbraw/zinc/29/36/46/784293646.db2.gz RTOKYDLFEVKJDZ-NSHDSACASA-N 1 0 311.455 2.487 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)n1 ZINC000186261046 784369875 /nfs/dbraw/zinc/36/98/75/784369875.db2.gz CYPNDNYEVGBSDW-GOEBONIOSA-N 1 0 306.454 2.442 10 0 DEAERO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1Br ZINC000712313183 784815181 /nfs/dbraw/zinc/81/51/81/784815181.db2.gz HIOFWMDPWYWNDW-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO Brc1c[nH]c(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)n1 ZINC000723979501 787346147 /nfs/dbraw/zinc/34/61/47/787346147.db2.gz XWVQVRLIILSDTD-GXFFZTMASA-N 1 0 314.227 2.467 10 0 DEAERO CO[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1(C)C ZINC000724043320 787347637 /nfs/dbraw/zinc/34/76/37/787347637.db2.gz VEHYSIGIRQBGIN-QXFUBDJGSA-N 1 0 305.287 2.338 10 0 DEAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724641299 787352551 /nfs/dbraw/zinc/35/25/51/787352551.db2.gz UEVSGVYJVHGTJB-FGTMMUONSA-N 1 0 318.461 2.291 10 0 DEAERO Cn1cc(C[NH2+]CCC[C@H]2CCOC2)c(Br)n1 ZINC000712403310 792187734 /nfs/dbraw/zinc/18/77/34/792187734.db2.gz BKZDQWYFSWLXJM-JTQLQIEISA-N 1 0 302.216 2.089 10 0 DEAERO Cn1cc(C[NH2+]C[C@H](O)c2ccccc2)c(Br)n1 ZINC000712458805 792188745 /nfs/dbraw/zinc/18/87/45/792188745.db2.gz INBRMMGVYMTYEC-LBPRGKRZSA-N 1 0 310.195 2.006 10 0 DEAERO C[C@@H]1C[C@H](C[NH2+]Cc2cn(C)nc2Br)[C@@H](C)O1 ZINC000712499158 792190619 /nfs/dbraw/zinc/19/06/19/792190619.db2.gz WHJFOYFZWHMAAX-OPRDCNLKSA-N 1 0 302.216 2.086 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000712597237 792191764 /nfs/dbraw/zinc/19/17/64/792191764.db2.gz WPVPYOUQMIDKPQ-ZNMIVQPWSA-N 1 0 311.470 2.364 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000712597230 792192482 /nfs/dbraw/zinc/19/24/82/792192482.db2.gz WPVPYOUQMIDKPQ-RBSFLKMASA-N 1 0 311.470 2.364 10 0 DEAERO CC1(C)CC[C@@H](CNC(=O)CC(F)(F)C(F)(F)F)[NH2+]C1 ZINC000713187855 792215312 /nfs/dbraw/zinc/21/53/12/792215312.db2.gz MNWGELBCVNNYAL-QMMMGPOBSA-N 1 0 302.287 2.469 10 0 DEAERO CCn1cnnc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000713299348 792219728 /nfs/dbraw/zinc/21/97/28/792219728.db2.gz BSMIHOWCVOMRFV-HIFRSBDPSA-N 1 0 313.405 2.005 10 0 DEAERO [NH3+]C[C@@H]1C[C@@H](c2nc(-c3ccccc3Br)no2)CO1 ZINC000714084025 792284689 /nfs/dbraw/zinc/28/46/89/792284689.db2.gz DLAINXPEDWCTQU-BDAKNGLRSA-N 1 0 324.178 2.330 10 0 DEAERO [NH3+]C[C@H]1C[C@@H](c2nc(-c3cccc(Br)c3)no2)CO1 ZINC000714085328 792284952 /nfs/dbraw/zinc/28/49/52/792284952.db2.gz KDNXLRGQKTZLMQ-MWLCHTKSSA-N 1 0 324.178 2.330 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]Cc2ccc[nH]c2=O)C1 ZINC000714956489 792376407 /nfs/dbraw/zinc/37/64/07/792376407.db2.gz GUHKKUUNVHLAPL-BJHJDKERSA-N 1 0 307.394 2.180 10 0 DEAERO [NH3+][C@H]1C[C@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000715068774 792379242 /nfs/dbraw/zinc/37/92/42/792379242.db2.gz ZDGPACRHPVKEGW-KYZUINATSA-N 1 0 308.325 2.129 10 0 DEAERO CS(=O)(=O)C1CC([NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000715294278 792413357 /nfs/dbraw/zinc/41/33/57/792413357.db2.gz JOSNYIOHOOFDAF-UHFFFAOYSA-N 1 0 313.366 2.432 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)c(C)s1 ZINC000716560511 792974362 /nfs/dbraw/zinc/97/43/62/792974362.db2.gz XKYIDXOJAQCVSJ-JTQLQIEISA-N 1 0 302.465 2.031 10 0 DEAERO COC[C@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619643 792978368 /nfs/dbraw/zinc/97/83/68/792978368.db2.gz GMHMIQFDRWBCAR-VJANTYMQSA-N 1 0 318.461 2.027 10 0 DEAERO OCC(F)(F)CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716683947 793001663 /nfs/dbraw/zinc/00/16/63/793001663.db2.gz UVQAYIYCIJRJJP-JYJNAYRXSA-N 1 0 310.388 2.257 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000245480979 797857481 /nfs/dbraw/zinc/85/74/81/797857481.db2.gz XUYZIRREMBAGNB-IXDOHACOSA-N 1 0 317.433 2.300 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400769687 801800902 /nfs/dbraw/zinc/80/09/02/801800902.db2.gz ZUUCFIYYKKMULP-WFASDCNBSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401709108 801845280 /nfs/dbraw/zinc/84/52/80/801845280.db2.gz CTOYHHFNIHVQOO-QWHCGFSZSA-N 1 0 308.426 2.155 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401737494 801846272 /nfs/dbraw/zinc/84/62/72/801846272.db2.gz ZRRYHYFYVIDFIU-APIJFGDWSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCN2CC=CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401852365 801854475 /nfs/dbraw/zinc/85/44/75/801854475.db2.gz TVNPYLHUXCYIPL-JKSUJKDBSA-N 1 0 323.481 2.483 10 0 DEAERO C/C=C/C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404242466 802012954 /nfs/dbraw/zinc/01/29/54/802012954.db2.gz XZYSINQTXSNGRG-FSBZLFFGSA-N 1 0 300.402 2.064 10 0 DEAERO CC(C)([NH3+])CCNS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000406085445 802109217 /nfs/dbraw/zinc/10/92/17/802109217.db2.gz ZGKAKFZMYZKMQH-YFHOEESVSA-N 1 0 302.827 2.358 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000725073959 1078801352 /nfs/dbraw/zinc/80/13/52/1078801352.db2.gz XCPYMHMWUGMWBE-GFCCVEGCSA-N 1 0 316.492 2.421 10 0 DEAERO Brc1cccnc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719024535 1091828632 /nfs/dbraw/zinc/82/86/32/1091828632.db2.gz PJODVBIQXPDXFQ-JTQLQIEISA-N 1 0 313.195 2.039 10 0 DEAERO c1ccc2c(c1)CN(CC[NH2+]Cc1cnc(N3CCCC3)nc1)C2 ZINC000067450411 1079890124 /nfs/dbraw/zinc/89/01/24/1079890124.db2.gz HYIPIKNZPUOZGU-UHFFFAOYSA-N 1 0 323.444 2.182 10 0 DEAERO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000067504816 1079893945 /nfs/dbraw/zinc/89/39/45/1079893945.db2.gz GNPMJNYSROQSFX-OAHLLOKOSA-N 1 0 323.400 2.430 10 0 DEAERO CC[C@@H]1CCCC[C@H]1C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000721846112 1084089831 /nfs/dbraw/zinc/08/98/31/1084089831.db2.gz VKIWSIXBUJJKES-CABCVRRESA-N 1 0 302.484 2.218 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1cncn1C ZINC000721043725 1085634144 /nfs/dbraw/zinc/63/41/44/1085634144.db2.gz GIVHGXXKVWKLGQ-ZIAGYGMSSA-N 1 0 322.453 2.403 10 0 DEAERO CN1CCOC[C@H]1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000700143037 1086309291 /nfs/dbraw/zinc/30/92/91/1086309291.db2.gz OCIRNKQEMDLKJQ-SNVBAGLBSA-N 1 0 306.378 2.156 10 0 DEAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccnn1C ZINC000701864550 1086388537 /nfs/dbraw/zinc/38/85/37/1086388537.db2.gz NZCOQMXAGAUVDD-POZPTJLLSA-N 1 0 320.437 2.470 10 0 DEAERO C[C@@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000702358480 1086423100 /nfs/dbraw/zinc/42/31/00/1086423100.db2.gz SALLJVAOXSRNPB-HOCLYGCPSA-N 1 0 305.466 2.244 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(Cl)ncc3Cl)C[C@]2(C)C1 ZINC000702397004 1086426383 /nfs/dbraw/zinc/42/63/83/1086426383.db2.gz MGHMWLKDHGUQEI-OTYXRUKQSA-N 1 0 314.216 2.412 10 0 DEAERO Cc1nc(C)c(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)s1 ZINC000703306411 1086493760 /nfs/dbraw/zinc/49/37/60/1086493760.db2.gz RMMUPMUPUBBSLX-NSHDSACASA-N 1 0 313.423 2.400 10 0 DEAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1csc(Br)c1)C2 ZINC000703602100 1086527375 /nfs/dbraw/zinc/52/73/75/1086527375.db2.gz WSUKKQYBRARACP-JOYOIKCWSA-N 1 0 315.236 2.192 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)C12CCC2 ZINC000720936389 1086552310 /nfs/dbraw/zinc/55/23/10/1086552310.db2.gz LPVWXVYOQAWOFC-XDQVBPFNSA-N 1 0 310.438 2.183 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+][C@H]2CCCC23CC3)C1 ZINC000705067896 1086600739 /nfs/dbraw/zinc/60/07/39/1086600739.db2.gz DNCNJTLDYPTITN-SUMWQHHRSA-N 1 0 310.438 2.281 10 0 DEAERO C[C@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@H]1CCCCO1 ZINC000705986066 1086629012 /nfs/dbraw/zinc/62/90/12/1086629012.db2.gz VXHVEPFNNDQASL-VQJWOFKYSA-N 1 0 310.438 2.399 10 0 DEAERO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)[C@H](C)CO ZINC000707938606 1086674678 /nfs/dbraw/zinc/67/46/78/1086674678.db2.gz BRTMNYAMJSHOLA-QMIVOQANSA-N 1 0 312.454 2.381 10 0 DEAERO C[NH+](C)C1(C)CCN(C(=O)c2cc(Br)c[nH]2)CC1 ZINC000709888879 1086685778 /nfs/dbraw/zinc/68/57/78/1086685778.db2.gz SKQQDMQFOQGHAS-UHFFFAOYSA-N 1 0 314.227 2.334 10 0 DEAERO O[C@@H](C[NH2+]CCc1ccns1)COc1ccccc1Cl ZINC000709878784 1086685805 /nfs/dbraw/zinc/68/58/05/1086685805.db2.gz DADDBAWJCXLXIX-NSHDSACASA-N 1 0 312.822 2.369 10 0 DEAERO CC(C)(C)C[C@@H](CO)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710852413 1086689146 /nfs/dbraw/zinc/68/91/46/1086689146.db2.gz BDCNAWLYAHIZQR-ZDUSSCGKSA-N 1 0 300.443 2.240 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]CCCC(C)(C)CO)C1 ZINC000710848297 1086689593 /nfs/dbraw/zinc/68/95/93/1086689593.db2.gz ZXSZCRABOKAWHP-UHFFFAOYSA-N 1 0 300.443 2.242 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000710948454 1086691349 /nfs/dbraw/zinc/69/13/49/1086691349.db2.gz RZVPWCYBENGNQU-STQMWFEESA-N 1 0 314.426 2.031 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C ZINC000710957013 1086691589 /nfs/dbraw/zinc/69/15/89/1086691589.db2.gz GTXDOMKXUUSTHG-RYUDHWBXSA-N 1 0 302.415 2.031 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000710948448 1086691597 /nfs/dbraw/zinc/69/15/97/1086691597.db2.gz RZVPWCYBENGNQU-CHWSQXEVSA-N 1 0 314.426 2.031 10 0 DEAERO CO[C@@](C)(C[NH2+][C@@H]1CCC1(OC)OC)COCc1ccccc1 ZINC000710990579 1086692152 /nfs/dbraw/zinc/69/21/52/1086692152.db2.gz UIQWVTHXJBXCPL-SJORKVTESA-N 1 0 323.433 2.349 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H]2CCN2C(C)(C)C)C1 ZINC000710985896 1086692723 /nfs/dbraw/zinc/69/27/23/1086692723.db2.gz ZRLKIZHHQRJHRJ-AWEZNQCLSA-N 1 0 311.470 2.316 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1C(=O)Nc1cc(Br)ccc1O ZINC000711328112 1087065792 /nfs/dbraw/zinc/06/57/92/1087065792.db2.gz ATBNYOUEAFFUTJ-VIFPVBQESA-N 1 0 313.195 2.339 10 0 DEAERO CC(C)[C@H](CO)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711403893 1087088393 /nfs/dbraw/zinc/08/83/93/1087088393.db2.gz GRARWYLGJPWGLC-MELADBBJSA-N 1 0 300.443 2.144 10 0 DEAERO CC(C)[C@@H](CCO)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711488876 1087133763 /nfs/dbraw/zinc/13/37/63/1087133763.db2.gz AFSOYCNUSUJCHN-HZSPNIEDSA-N 1 0 300.443 2.286 10 0 DEAERO Cc1nc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)sc1Br ZINC000719250170 1088915336 /nfs/dbraw/zinc/91/53/36/1088915336.db2.gz FFCYYOIREZVKNN-IONNQARKSA-N 1 0 304.257 2.383 10 0 DEAERO C[NH2+]CCc1ccccc1C(=O)NCc1ncc(Cl)s1 ZINC000719409616 1089133805 /nfs/dbraw/zinc/13/38/05/1089133805.db2.gz NZSUPOPQGYSBEO-UHFFFAOYSA-N 1 0 309.822 2.488 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CCN1C ZINC000719570519 1089305361 /nfs/dbraw/zinc/30/53/61/1089305361.db2.gz OOYPVFAOBVQWOX-KBUPBQIOSA-N 1 0 311.470 2.457 10 0 DEAERO C[C@@H]1[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1C ZINC000719603765 1089326259 /nfs/dbraw/zinc/32/62/59/1089326259.db2.gz SRBJZKBJMQHTAK-BXKDBHETSA-N 1 0 304.362 2.187 10 0 DEAERO Brc1cnccc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719092608 1091878292 /nfs/dbraw/zinc/87/82/92/1091878292.db2.gz WZZVKFWEOVDRSC-LLVKDONJSA-N 1 0 313.195 2.039 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC[C@H]1C ZINC000724112502 1143953011 /nfs/dbraw/zinc/95/30/11/1143953011.db2.gz UEZSKSCIPWNTDC-OPRDCNLKSA-N 1 0 305.287 2.292 10 0 DEAERO CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1SCCS(C)(=O)=O ZINC000081769125 192323056 /nfs/dbraw/zinc/32/30/56/192323056.db2.gz WOBHRWITSWYJNV-LSDHHAIUSA-N 1 0 313.488 2.430 10 0 DEAERO CCOc1ccc([C@H](C)[NH3+])cc1CSCCS(C)(=O)=O ZINC000081768943 192323322 /nfs/dbraw/zinc/32/33/22/192323322.db2.gz OBWAPAQKGVITIW-NSHDSACASA-N 1 0 317.476 2.383 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCc1c[nH]c2ccccc12 ZINC000139250682 282100409 /nfs/dbraw/zinc/10/04/09/282100409.db2.gz PXLFRVOMKZGXTL-AWEZNQCLSA-N 1 0 300.406 2.104 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1coc(-c2cccs2)n1 ZINC000139469787 282100992 /nfs/dbraw/zinc/10/09/92/282100992.db2.gz HCMIOKQSGNQFAR-LBPRGKRZSA-N 1 0 320.418 2.297 10 0 DEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000183321721 282105561 /nfs/dbraw/zinc/10/55/61/282105561.db2.gz GPSCNIKJCAOIBM-GFCCVEGCSA-N 1 0 317.359 2.038 10 0 DEAERO CCC[NH2+][C@H]1c2ccccc2CC[C@@H]1Sc1nnnn1C ZINC000081843306 192330326 /nfs/dbraw/zinc/33/03/26/192330326.db2.gz OBZVEEWCEKSJQO-KBPBESRZSA-N 1 0 303.435 2.358 10 0 DEAERO CCC[NH2+][C@@H]1c2ccccc2CC[C@H]1Sc1nnnn1C ZINC000081843311 192330488 /nfs/dbraw/zinc/33/04/88/192330488.db2.gz OBZVEEWCEKSJQO-ZIAGYGMSSA-N 1 0 303.435 2.358 10 0 DEAERO CCOc1ccc2[nH]c(S[C@H]3COCC[C@H]3[NH2+]C)nc2c1 ZINC000081839893 192330604 /nfs/dbraw/zinc/33/06/04/192330604.db2.gz XBXGILFORYIIKK-OCCSQVGLSA-N 1 0 307.419 2.431 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@H]1Sc1nnc2n1CCCCC2 ZINC000081865862 192333400 /nfs/dbraw/zinc/33/34/00/192333400.db2.gz FQFKAAFGJGMGJC-QWHCGFSZSA-N 1 0 310.467 2.254 10 0 DEAERO CC(C)n1c(S[C@H]2CCc3ccccc3[C@H]2[NH3+])n[nH]c1=O ZINC000081879528 192333836 /nfs/dbraw/zinc/33/38/36/192333836.db2.gz ZQVWCGLWRGMTLQ-QWHCGFSZSA-N 1 0 304.419 2.259 10 0 DEAERO CC(C)n1c(S[C@@H]2CCc3ccccc3[C@H]2[NH3+])n[nH]c1=O ZINC000081879527 192334445 /nfs/dbraw/zinc/33/44/45/192334445.db2.gz ZQVWCGLWRGMTLQ-CHWSQXEVSA-N 1 0 304.419 2.259 10 0 DEAERO Cc1ccc(C[C@H](C)[N@H+](C)CC(=O)NC[C@@H]2CCCO2)cc1 ZINC000151136626 282111536 /nfs/dbraw/zinc/11/15/36/282111536.db2.gz FFXPNWFLOFMQDW-RDJZCZTQSA-N 1 0 304.434 2.153 10 0 DEAERO COc1cccc([C@@H]([NH3+])CS(=O)(=O)c2ccc(F)cc2)c1 ZINC000081921386 192338730 /nfs/dbraw/zinc/33/87/30/192338730.db2.gz XWXZXPCZBZLTBK-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333553001 282952081 /nfs/dbraw/zinc/95/20/81/282952081.db2.gz KMKYFIDTCPIUTF-UHFFFAOYSA-N 1 0 322.840 2.410 10 0 DEAERO C[NH+](C)CCCNC(=O)CCC(=O)n1ccc2ccccc21 ZINC000096754327 185386317 /nfs/dbraw/zinc/38/63/17/185386317.db2.gz REVRTGBUNLLJFH-UHFFFAOYSA-N 1 0 301.390 2.130 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)CC)c1cc(OC)ccc1OC ZINC000081926292 192340402 /nfs/dbraw/zinc/34/04/02/192340402.db2.gz MBRXEYVRKJFORG-AWEZNQCLSA-N 1 0 315.435 2.179 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H](C)SC)cc1 ZINC000162942429 197602319 /nfs/dbraw/zinc/60/23/19/197602319.db2.gz VFFAJZYDKUCOSB-GFCCVEGCSA-N 1 0 316.492 2.216 10 0 DEAERO CC[C@@H]1C[NH2+]CC[C@@H]1c1c(Br)cnn1CCOC ZINC000162978399 197603992 /nfs/dbraw/zinc/60/39/92/197603992.db2.gz CQUDVDYYYLZJCS-MNOVXSKESA-N 1 0 316.243 2.395 10 0 DEAERO CC[C@](C)(OC)[C@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000163344022 197624577 /nfs/dbraw/zinc/62/45/77/197624577.db2.gz CEXGQXANJXAVOU-PWSUYJOCSA-N 1 0 304.232 2.176 10 0 DEAERO C[C@@]1(O)CCCN(c2ccc(C(F)(F)F)cc2C(N)=[NH2+])C1 ZINC000163222495 197618217 /nfs/dbraw/zinc/61/82/17/197618217.db2.gz KGHCTRBDGOMWBA-CYBMUJFWSA-N 1 0 301.312 2.341 10 0 DEAERO C[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000081930536 192341718 /nfs/dbraw/zinc/34/17/18/192341718.db2.gz NUHQKGZXGQECRY-HUUCEWRRSA-N 1 0 311.447 2.135 10 0 DEAERO CC(C)(C)[NH2+]CCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936168 192342242 /nfs/dbraw/zinc/34/22/42/192342242.db2.gz AEURIJHQHLEDFU-UHFFFAOYSA-N 1 0 313.419 2.010 10 0 DEAERO CCOC(=O)[C@@](C)(c1ccc(F)cc1Cl)N1CC[NH2+]CC1 ZINC000078901499 185126252 /nfs/dbraw/zinc/12/62/52/185126252.db2.gz RTAQUHUFCDXYLO-OAHLLOKOSA-N 1 0 314.788 2.163 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)CCOC)c1ccc2ccccc2c1 ZINC000081944890 192344987 /nfs/dbraw/zinc/34/49/87/192344987.db2.gz QELWGQWGSADCJU-INIZCTEOSA-N 1 0 307.415 2.162 10 0 DEAERO CCC[NH2+][C@](C)(CCSc1ncccc1Cl)C(N)=O ZINC000079448845 185172192 /nfs/dbraw/zinc/17/21/92/185172192.db2.gz SSMBJPPHOBTWIT-CYBMUJFWSA-N 1 0 301.843 2.461 10 0 DEAERO CCC[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000079358211 185166819 /nfs/dbraw/zinc/16/68/19/185166819.db2.gz YKXHHPRIZVVWOF-HUUCEWRRSA-N 1 0 302.484 2.218 10 0 DEAERO C[C@@]1(C(=O)NCc2cc(F)ccc2Br)CCC[NH2+]1 ZINC000079518665 185173722 /nfs/dbraw/zinc/17/37/22/185173722.db2.gz QVLVZTXHIMZNBD-ZDUSSCGKSA-N 1 0 315.186 2.347 10 0 DEAERO CN(C(=O)c1sccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000082614203 185191140 /nfs/dbraw/zinc/19/11/40/185191140.db2.gz YODCIUVJJPQTBP-MRVPVSSYSA-N 1 0 303.225 2.335 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nc(C(C)C)nc(N(C)C)n1 ZINC000301966169 529409044 /nfs/dbraw/zinc/40/90/44/529409044.db2.gz OJASBECFUBQZFF-KGLIPLIRSA-N 1 0 318.469 2.124 10 0 DEAERO CC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081946431 192345888 /nfs/dbraw/zinc/34/58/88/192345888.db2.gz YIJANIVFGXWEOL-OLZOCXBDSA-N 1 0 321.801 2.020 10 0 DEAERO CN1C[C@H]([NH2+]Cc2ccc(Br)s2)CCC1=O ZINC000082756506 185202353 /nfs/dbraw/zinc/20/23/53/185202353.db2.gz MDLHQYNJGSLTDN-MRVPVSSYSA-N 1 0 303.225 2.221 10 0 DEAERO CN(Cc1cc(Br)cs1)C[C@]1([NH3+])CCOC1 ZINC000082986640 185210383 /nfs/dbraw/zinc/21/03/83/185210383.db2.gz SDYCYIUZHLFHBO-LLVKDONJSA-N 1 0 305.241 2.060 10 0 DEAERO CC[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(OC)cc1 ZINC000170826288 282180545 /nfs/dbraw/zinc/18/05/45/282180545.db2.gz HKHMJPCZIRWQJJ-GDBMZVCRSA-N 1 0 305.422 2.492 10 0 DEAERO CC(C)[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000087404447 185223892 /nfs/dbraw/zinc/22/38/92/185223892.db2.gz AQFWZNSONZCRGS-SNVBAGLBSA-N 1 0 311.234 2.255 10 0 DEAERO NC(=[NH2+])c1cnc(Oc2ccc(Br)c(F)c2)cn1 ZINC000087430733 185224641 /nfs/dbraw/zinc/22/46/41/185224641.db2.gz IDCZBPWLZHAICT-UHFFFAOYSA-N 1 0 311.114 2.455 10 0 DEAERO CCCc1nnsc1C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000087456073 185225661 /nfs/dbraw/zinc/22/56/61/185225661.db2.gz WVSWRURXRPUSQF-LLVKDONJSA-N 1 0 302.403 2.021 10 0 DEAERO COc1ccc(Br)c(C[C@H]([NH3+])c2cnccn2)c1 ZINC000087791828 185232058 /nfs/dbraw/zinc/23/20/58/185232058.db2.gz DCMRWEKOJFTQPB-LBPRGKRZSA-N 1 0 308.179 2.490 10 0 DEAERO Cc1cccc(OCCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173190317 282189044 /nfs/dbraw/zinc/18/90/44/282189044.db2.gz WRQPVGRPABDGLX-HZPDHXFCSA-N 1 0 319.449 2.498 10 0 DEAERO C[C@H](CC[NH3+])C(=O)N(C)Cc1csc(Br)c1 ZINC000087636102 185229757 /nfs/dbraw/zinc/22/97/57/185229757.db2.gz CSRLSWVGSHNITE-MRVPVSSYSA-N 1 0 305.241 2.454 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000173255294 282189643 /nfs/dbraw/zinc/18/96/43/282189643.db2.gz YLPZDBAJDKJMTQ-ZBFHGGJFSA-N 1 0 310.463 2.346 10 0 DEAERO Cc1cc(Br)ccc1Oc1cc(NN)[nH+]c(N)n1 ZINC000087889245 185234751 /nfs/dbraw/zinc/23/47/51/185234751.db2.gz PIENLBLSWTYUNQ-UHFFFAOYSA-N 1 0 310.155 2.208 10 0 DEAERO [NH3+]C[C@@H](NC[C@@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000087928230 185237706 /nfs/dbraw/zinc/23/77/06/185237706.db2.gz IMCXOBCUIMZHEA-GXFFZTMASA-N 1 0 317.202 2.357 10 0 DEAERO [NH3+]C[C@H](NC[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000087928677 185237727 /nfs/dbraw/zinc/23/77/27/185237727.db2.gz PKFASDAXLFNYDK-STQMWFEESA-N 1 0 304.312 2.354 10 0 DEAERO C[C@@H](C[NH3+])CS(=O)(=O)Cc1sccc1Br ZINC000088090364 185239580 /nfs/dbraw/zinc/23/95/80/185239580.db2.gz SWYGSCUOOUZOSQ-ZETCQYMHSA-N 1 0 312.254 2.020 10 0 DEAERO COCC[N@@H+](Cc1ccc(OC)c(C(N)=S)c1)CC(C)C ZINC000087832547 185232555 /nfs/dbraw/zinc/23/25/55/185232555.db2.gz RKSBARYUQXGSBG-UHFFFAOYSA-N 1 0 310.463 2.434 10 0 DEAERO COc1ccc(CSc2nnc(N(C)C)s2)cc1C[NH3+] ZINC000087827791 185232604 /nfs/dbraw/zinc/23/26/04/185232604.db2.gz GUBYQVBWUMQPBZ-UHFFFAOYSA-N 1 0 310.448 2.364 10 0 DEAERO COc1ccc(C[C@@H]([NH3+])[C@@H]2CCOC2)cc1Br ZINC000087804443 185232628 /nfs/dbraw/zinc/23/26/28/185232628.db2.gz OYOZEEHMGKHSBB-ZYHUDNBSSA-N 1 0 300.196 2.364 10 0 DEAERO Cc1cccc(CNc2nc(NN)[nH+]cc2Br)c1 ZINC000087854883 185233676 /nfs/dbraw/zinc/23/36/76/185233676.db2.gz WTVWIGCPISEFLG-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO CN(Cc1ccc(Br)cc1)c1cc(NN)[nH+]cn1 ZINC000087864151 185233878 /nfs/dbraw/zinc/23/38/78/185233878.db2.gz GODFQAQQNHTCJI-UHFFFAOYSA-N 1 0 308.183 2.161 10 0 DEAERO COc1ccccc1Oc1nc(NN)[nH+]cc1Br ZINC000087883896 185234332 /nfs/dbraw/zinc/23/43/32/185234332.db2.gz RTYKGPIHELAPKH-UHFFFAOYSA-N 1 0 311.139 2.326 10 0 DEAERO C[C@H]1CCCCCN1c1nc(NN)[nH+]cc1Br ZINC000087879544 185234360 /nfs/dbraw/zinc/23/43/60/185234360.db2.gz KVZVBJBDTNODKK-QMMMGPOBSA-N 1 0 300.204 2.294 10 0 DEAERO COCC[C@H]([NH3+])C(=O)Nc1c(F)cc(Br)cc1F ZINC000088168572 185240923 /nfs/dbraw/zinc/24/09/23/185240923.db2.gz MYCITJBNERNPHC-VIFPVBQESA-N 1 0 323.137 2.030 10 0 DEAERO [NH3+]CCOCC(=O)Nc1ccc(Cl)cc1Br ZINC000088122625 185240045 /nfs/dbraw/zinc/24/00/45/185240045.db2.gz GRBIABAVIKNMJZ-UHFFFAOYSA-N 1 0 307.575 2.016 10 0 DEAERO CC[NH2+][C@@H]1CCCN(c2c3nsnc3ccc2Cl)C1=O ZINC000088128036 185240351 /nfs/dbraw/zinc/24/03/51/185240351.db2.gz ACNZVPANARROAR-SNVBAGLBSA-N 1 0 310.810 2.450 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnc2c(c1)c(C)nn2C ZINC000175351568 282194912 /nfs/dbraw/zinc/19/49/12/282194912.db2.gz WEMJHZIMIVJIFU-OAHLLOKOSA-N 1 0 301.438 2.193 10 0 DEAERO CC[C@@H](C[NH3+])S(=O)(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000088471776 185251996 /nfs/dbraw/zinc/25/19/96/185251996.db2.gz CCKQGMXETSTHSV-JTQLQIEISA-N 1 0 312.313 2.064 10 0 DEAERO Nc1cc(F)ccc1SC[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000088398456 185248420 /nfs/dbraw/zinc/24/84/20/185248420.db2.gz FVEBESVHDIKCPY-ZFWWWQNUSA-N 1 0 306.406 2.431 10 0 DEAERO Nc1ccc(SC[C@@H](O)[C@H]([NH3+])Cc2ccccc2)c(F)c1 ZINC000088398463 185248495 /nfs/dbraw/zinc/24/84/95/185248495.db2.gz YOFYRLABYJYNPL-HUUCEWRRSA-N 1 0 306.406 2.431 10 0 DEAERO NNc1[nH+]cc(C(=O)N2CCC(C(F)(F)F)CC2)cc1Cl ZINC000088438657 185250630 /nfs/dbraw/zinc/25/06/30/185250630.db2.gz GFXVEAPTMAFPEQ-UHFFFAOYSA-N 1 0 322.718 2.435 10 0 DEAERO Cc1nn(C)c(N2CCC(C(F)(F)F)CC2)c1C[C@H](C)[NH3+] ZINC000088439418 185250700 /nfs/dbraw/zinc/25/07/00/185250700.db2.gz XXMOKJWVGCFGTE-VIFPVBQESA-N 1 0 304.360 2.397 10 0 DEAERO CCC[NH2+][C@H]1c2ccccc2C[C@@H]1S(=O)(=O)CCCOC ZINC000081985396 192348803 /nfs/dbraw/zinc/34/88/03/192348803.db2.gz HTOVQRYAHNLWFC-HOTGVXAUSA-N 1 0 311.447 2.103 10 0 DEAERO C[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)S(=O)(=O)CCCOC ZINC000081985739 192348822 /nfs/dbraw/zinc/34/88/22/192348822.db2.gz JPKPHCZEAQIEFK-HZPDHXFCSA-N 1 0 313.463 2.423 10 0 DEAERO CC[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(C[NH2+]C)o2)C1 ZINC000088551457 185257570 /nfs/dbraw/zinc/25/75/70/185257570.db2.gz XHLZQNGJFYXYTN-RYUDHWBXSA-N 1 0 300.424 2.246 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H](C)CSC)o1 ZINC000088551137 185257604 /nfs/dbraw/zinc/25/76/04/185257604.db2.gz HWFGTCVOSFBORD-LLVKDONJSA-N 1 0 320.480 2.057 10 0 DEAERO CCn1ncnc1COc1c(Br)cccc1C[NH3+] ZINC000088585597 185258574 /nfs/dbraw/zinc/25/85/74/185258574.db2.gz NHAKJBFSCLTGQB-UHFFFAOYSA-N 1 0 311.183 2.098 10 0 DEAERO CCOC(=O)[C@H]1C[NH2+]CCN1[C@@H](C)c1ccc(F)cc1Cl ZINC000088657835 185261810 /nfs/dbraw/zinc/26/18/10/185261810.db2.gz HXHHONOMDVAWLE-IINYFYTJSA-N 1 0 314.788 2.377 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000088704713 185262650 /nfs/dbraw/zinc/26/26/50/185262650.db2.gz XAAQYXYWJAIQRW-NEPJUHHUSA-N 1 0 305.447 2.380 10 0 DEAERO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)s2)C1=O ZINC000088774962 185265475 /nfs/dbraw/zinc/26/54/75/185265475.db2.gz UKHPDSWLGUSLJG-CYBMUJFWSA-N 1 0 300.383 2.262 10 0 DEAERO CC(C)(C)[C@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)C2CCOCC2)C1 ZINC000081989751 192350506 /nfs/dbraw/zinc/35/05/06/192350506.db2.gz DVGSZUNWQQVWMD-FPMFFAJLSA-N 1 0 303.468 2.122 10 0 DEAERO C[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1cccc(Cl)c1 ZINC000090115888 185283094 /nfs/dbraw/zinc/28/30/94/185283094.db2.gz ZSPYPZWSAAODAA-NSHDSACASA-N 1 0 311.813 2.240 10 0 DEAERO CC[C@@H]([NH2+]C[C@](C)(O)CO)c1ccc(Br)cc1 ZINC000090284255 185289348 /nfs/dbraw/zinc/28/93/48/185289348.db2.gz YARJWJNPZNEAKJ-OLZOCXBDSA-N 1 0 302.212 2.233 10 0 DEAERO Cc1ccc(Cl)c(NC(=O)CN(C)C2C[NH2+]C2)c1Cl ZINC000090290341 185289766 /nfs/dbraw/zinc/28/97/66/185289766.db2.gz ABVQAANKZBWEAU-UHFFFAOYSA-N 1 0 302.205 2.144 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000090293356 185289808 /nfs/dbraw/zinc/28/98/08/185289808.db2.gz QAMZPCXNTRRADK-UHFFFAOYSA-N 1 0 323.245 2.366 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)COc1cccc(Cl)c1 ZINC000090330890 185291196 /nfs/dbraw/zinc/29/11/96/185291196.db2.gz WASUYZCZMKWLJI-KCPJHIHWSA-N 1 0 308.809 2.175 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)Cc1c(F)cccc1Cl ZINC000090336563 185291509 /nfs/dbraw/zinc/29/15/09/185291509.db2.gz WHDMDFIQOXHHHP-PWSUYJOCSA-N 1 0 310.800 2.478 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1CC(=O)Nc1cccc(Cl)c1 ZINC000090337924 185291845 /nfs/dbraw/zinc/29/18/45/185291845.db2.gz NKEFSPUUYMOYHZ-SMDDNHRTSA-N 1 0 307.825 2.208 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1Cc1nc(-c2ccsc2)no1 ZINC000090338331 185291975 /nfs/dbraw/zinc/29/19/75/185291975.db2.gz NHWFELTXSSAQBI-VXGBXAGGSA-N 1 0 304.419 2.228 10 0 DEAERO CC[C@@H]([NH3+])CSCC(=O)NC(=O)c1ccc(Cl)cc1 ZINC000090357031 185292336 /nfs/dbraw/zinc/29/23/36/185292336.db2.gz MDGGVWGMPISZKU-LLVKDONJSA-N 1 0 300.811 2.067 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000090489286 185298878 /nfs/dbraw/zinc/29/88/78/185298878.db2.gz WCKLZIRZWIKLST-TUKIKUTGSA-N 1 0 308.447 2.210 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000090431482 185295946 /nfs/dbraw/zinc/29/59/46/185295946.db2.gz NEPZJJLRRDBYFM-PSASIEDQSA-N 1 0 311.794 2.123 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000090437618 185296172 /nfs/dbraw/zinc/29/61/72/185296172.db2.gz QDLQYSWVAPQGDF-KWQFWETISA-N 1 0 306.259 2.017 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1CN(C)Cc1ccc(Br)cc1 ZINC000090438771 185296684 /nfs/dbraw/zinc/29/66/84/185296684.db2.gz DIENTRPRFSQUPT-TZMCWYRMSA-N 1 0 313.239 2.115 10 0 DEAERO C[C@]1(C(=O)Nc2c3ncsc3ccc2Cl)COC[C@@H]1[NH3+] ZINC000090585545 185305158 /nfs/dbraw/zinc/30/51/58/185305158.db2.gz FYFJPIUUMPLDIJ-ZANVPECISA-N 1 0 311.794 2.252 10 0 DEAERO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090592337 185305786 /nfs/dbraw/zinc/30/57/86/185305786.db2.gz DOIFDGDWDUDZHP-ZBFHGGJFSA-N 1 0 310.825 2.441 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(F)cc1Cl ZINC000090539697 185301506 /nfs/dbraw/zinc/30/15/06/185301506.db2.gz DHPCGWRSMUFTPK-GXFFZTMASA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000090538537 185301616 /nfs/dbraw/zinc/30/16/16/185301616.db2.gz YJRRRBVOHCUAPZ-DGCLKSJQSA-N 1 0 312.797 2.302 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000090543853 185302010 /nfs/dbraw/zinc/30/20/10/185302010.db2.gz IOVIJMJQXBRBJE-GHMZBOCLSA-N 1 0 311.451 2.394 10 0 DEAERO Cc1cc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])ccc1Br ZINC000090580522 185304783 /nfs/dbraw/zinc/30/47/83/185304783.db2.gz BVDHVVBTSSHWMF-AAEUAGOBSA-N 1 0 313.195 2.060 10 0 DEAERO Cc1nn(C)c(CC(=O)CCCCC[NH3+])c1Br ZINC000166897000 197700653 /nfs/dbraw/zinc/70/06/53/197700653.db2.gz ZIZKKCYJDSNPIX-UHFFFAOYSA-N 1 0 302.216 2.122 10 0 DEAERO O=C(c1ccncc1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700850 185310390 /nfs/dbraw/zinc/31/03/90/185310390.db2.gz JNUQBTDFZWYWMN-HNNXBMFYSA-N 1 0 305.447 2.125 10 0 DEAERO CCCCS(=O)(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090701035 185310655 /nfs/dbraw/zinc/31/06/55/185310655.db2.gz LXRQPYFNKHLFAD-CQSZACIVSA-N 1 0 320.524 2.020 10 0 DEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1Sc1nnc(C)[nH]1 ZINC000092390062 185315694 /nfs/dbraw/zinc/31/56/94/185315694.db2.gz PZHACAURYLESRT-KGLIPLIRSA-N 1 0 304.419 2.489 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Br)c[nH]1 ZINC000092632247 185330607 /nfs/dbraw/zinc/33/06/07/185330607.db2.gz PVHPFJYVKNJBAJ-LLVKDONJSA-N 1 0 314.227 2.334 10 0 DEAERO CSc1ccc([C@H](C)NC(=O)CN2CCC([NH3+])CC2)cc1 ZINC000092713849 185335977 /nfs/dbraw/zinc/33/59/77/185335977.db2.gz YLUDVHYLBMUYKN-LBPRGKRZSA-N 1 0 307.463 2.009 10 0 DEAERO O=C1C(=O)N(CCC[NH+]2CCCC2)c2cc(F)c(Cl)cc21 ZINC000092772007 185339877 /nfs/dbraw/zinc/33/98/77/185339877.db2.gz INYGAFIRIHINMT-UHFFFAOYSA-N 1 0 310.756 2.494 10 0 DEAERO Cc1oc(C)c(S(=O)(=O)NCC2C(C)(C)C2(C)C)c1C[NH3+] ZINC000092833110 185344921 /nfs/dbraw/zinc/34/49/21/185344921.db2.gz BTHZWRULBTZEHQ-UHFFFAOYSA-N 1 0 314.451 2.316 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)NCCC[NH+]2CCCCC2)no1 ZINC000442447806 529712073 /nfs/dbraw/zinc/71/20/73/529712073.db2.gz RRNHCSZWZMLFBV-UHFFFAOYSA-N 1 0 323.441 2.042 10 0 DEAERO COc1cc(Br)c([C@@H]2OCC[C@@H]2[NH3+])cc1OC ZINC000092888663 185348093 /nfs/dbraw/zinc/34/80/93/185348093.db2.gz RFVGHPKMNPKSAF-CABZTGNLSA-N 1 0 302.168 2.255 10 0 DEAERO CC[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1Sc1nncn1C ZINC000092860536 185347079 /nfs/dbraw/zinc/34/70/79/185347079.db2.gz YRZXHKKBFXQRQU-KGLIPLIRSA-N 1 0 304.419 2.191 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000092953374 185350305 /nfs/dbraw/zinc/35/03/05/185350305.db2.gz UPBLCABWXJUTLS-CMPLNLGQSA-N 1 0 304.781 2.462 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1CCCO1)COc1ccc2ccccc2c1 ZINC000027529539 539331985 /nfs/dbraw/zinc/33/19/85/539331985.db2.gz RACCZLIUMAGKHB-AEFFLSMTSA-N 1 0 301.386 2.348 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ncnc3c2ncn3C2CC2)C1 ZINC000292850126 529799964 /nfs/dbraw/zinc/79/99/64/529799964.db2.gz WBBYKNCXGSMNHV-TZMCWYRMSA-N 1 0 312.421 2.082 10 0 DEAERO CC(C)(C[NH2+]Cc1ccc(-n2cccn2)cc1)N1CCOCC1 ZINC000070740906 539345180 /nfs/dbraw/zinc/34/51/80/539345180.db2.gz IFCSZXFVKBFXAJ-UHFFFAOYSA-N 1 0 314.433 2.073 10 0 DEAERO COC[C@@H]([NH2+]Cc1cn2c(cccc2C)n1)C1CCOCC1 ZINC000187992362 282294693 /nfs/dbraw/zinc/29/46/93/282294693.db2.gz XDSJGOPERARNKG-MRXNPFEDSA-N 1 0 303.406 2.174 10 0 DEAERO CC[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc(OC)c(F)c1 ZINC000097129989 185413386 /nfs/dbraw/zinc/41/33/86/185413386.db2.gz WDSWWWWWRHNPAQ-SMDDNHRTSA-N 1 0 315.410 2.310 10 0 DEAERO C[C@@H]1CN(C2CC[NH+](CCCOCC(F)(F)F)CC2)CCO1 ZINC000097153452 185416674 /nfs/dbraw/zinc/41/66/74/185416674.db2.gz BBSYSUQPEBWIKA-CYBMUJFWSA-N 1 0 324.387 2.141 10 0 DEAERO C[C@H]1C[C@H](NCc2cc(C(N)=O)co2)C[N@@H+]1Cc1ccccc1 ZINC000189411319 282309140 /nfs/dbraw/zinc/30/91/40/282309140.db2.gz MPEBUXJYLNVPRL-BBRMVZONSA-N 1 0 313.401 2.131 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOCC(F)(F)C(F)F ZINC000189496013 282311294 /nfs/dbraw/zinc/31/12/94/282311294.db2.gz FEQDLOKWXXGMLL-LLVKDONJSA-N 1 0 300.340 2.320 10 0 DEAERO CN1CC[C@@H](C[N@H+](C)[C@H]2CCCC[C@H]2O)[C@@H]1c1cccnc1 ZINC000328649777 529955188 /nfs/dbraw/zinc/95/51/88/529955188.db2.gz VCHNCXOESHLYPT-FJIDUMEYSA-N 1 0 303.450 2.310 10 0 DEAERO C[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)[C@H]1OCCc2sccc21 ZINC000333579031 282962358 /nfs/dbraw/zinc/96/23/58/282962358.db2.gz NKWSLUKLGIETHR-YWPYICTPSA-N 1 0 323.462 2.192 10 0 DEAERO C[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)CC1(CO)CC1 ZINC000190028092 529961878 /nfs/dbraw/zinc/96/18/78/529961878.db2.gz BVIUVOSPPVJTGT-CYBMUJFWSA-N 1 0 317.351 2.313 10 0 DEAERO O=C(CCCc1ccccc1Br)N1CC[NH2+]CC1 ZINC000107495391 185482193 /nfs/dbraw/zinc/48/21/93/185482193.db2.gz QOBZLIPIQVRMJG-UHFFFAOYSA-N 1 0 311.223 2.204 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@]1(CCO)CCOC1)CCCO2 ZINC000125477453 539472829 /nfs/dbraw/zinc/47/28/29/539472829.db2.gz CYCPGQZTZYDUFY-AEFFLSMTSA-N 1 0 321.417 2.288 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1ccccc1Br ZINC000111267886 185568686 /nfs/dbraw/zinc/56/86/86/185568686.db2.gz ZLNJBBLZWWTBME-JQWIXIFHSA-N 1 0 311.223 2.263 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@]2(C[NH3+])CCC[C@@H](C)C2)cc1C ZINC000111373981 185590305 /nfs/dbraw/zinc/59/03/05/185590305.db2.gz LLGWGWQBLGTHJY-WBMJQRKESA-N 1 0 310.463 2.489 10 0 DEAERO CC(C)C[C@@H](C[NH3+])Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000111377178 185590791 /nfs/dbraw/zinc/59/07/91/185590791.db2.gz AYSBQQLLUNIEHV-NSHDSACASA-N 1 0 306.378 2.468 10 0 DEAERO CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)s1 ZINC000272721146 210124198 /nfs/dbraw/zinc/12/41/98/210124198.db2.gz FJXMVGFLPHCXRW-UHFFFAOYSA-N 1 0 321.446 2.220 10 0 DEAERO CC[C@H]([NH3+])Cc1c(Sc2nccn2C)nc2ccccn21 ZINC000111579645 185614011 /nfs/dbraw/zinc/61/40/11/185614011.db2.gz QDWFSDMTOCCXSB-NSHDSACASA-N 1 0 301.419 2.499 10 0 DEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(Br)o1 ZINC000136400755 539517558 /nfs/dbraw/zinc/51/75/58/539517558.db2.gz APOUGSDRTUIRDJ-JTQLQIEISA-N 1 0 303.200 2.374 10 0 DEAERO C[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000111714118 185629351 /nfs/dbraw/zinc/62/93/51/185629351.db2.gz SNBRCVLCSYGZHZ-CABCVRRESA-N 1 0 310.463 2.312 10 0 DEAERO C[C@@H](NC(=O)N[C@H]1COc2ccccc21)C(C)(C)C[NH+](C)C ZINC000119422639 185742283 /nfs/dbraw/zinc/74/22/83/185742283.db2.gz VQYAPIIKVUFXEF-OCCSQVGLSA-N 1 0 305.422 2.396 10 0 DEAERO NNc1nc(Cc2ccccc2)[nH+]c(NN)c1-c1ccccc1 ZINC000616220310 362799368 /nfs/dbraw/zinc/79/93/68/362799368.db2.gz XOKCMMARVSPREM-UHFFFAOYSA-N 1 0 306.373 2.306 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000249966762 282585473 /nfs/dbraw/zinc/58/54/73/282585473.db2.gz XCHLBOJKQSIOMR-QLFBSQMISA-N 1 0 312.479 2.382 10 0 DEAERO CCCS(=O)(=O)c1ccccc1N1CCC[C@H](CC[NH3+])C1 ZINC000070074005 190855318 /nfs/dbraw/zinc/85/53/18/190855318.db2.gz MRUXXRQIADQWKO-CQSZACIVSA-N 1 0 310.463 2.436 10 0 DEAERO O=S(=O)(c1ccccc1N[C@@H]1CCCC[NH2+]C1)C(F)F ZINC000070121023 190859816 /nfs/dbraw/zinc/85/98/16/190859816.db2.gz OQFSKRUESIGAOB-SNVBAGLBSA-N 1 0 304.362 2.237 10 0 DEAERO CC(C)(CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000236692379 201968916 /nfs/dbraw/zinc/96/89/16/201968916.db2.gz SGGHYMILZWGYIS-JSGCOSHPSA-N 1 0 318.417 2.327 10 0 DEAERO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)c1ccc(Br)cn1 ZINC000070179913 190868401 /nfs/dbraw/zinc/86/84/01/190868401.db2.gz AFAINLBOSZZYCI-VHSXEESVSA-N 1 0 312.211 2.044 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCc2ccccc2[C@H]1CCO ZINC000616584256 362894380 /nfs/dbraw/zinc/89/43/80/362894380.db2.gz IHYMFGOSBXPDBN-MRXNPFEDSA-N 1 0 320.433 2.493 10 0 DEAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](c2ccccc2F)C1 ZINC000616652073 362905355 /nfs/dbraw/zinc/90/53/55/362905355.db2.gz BOVKBCBUOIRITL-OAHLLOKOSA-N 1 0 323.412 2.297 10 0 DEAERO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)c1 ZINC000176954636 539628754 /nfs/dbraw/zinc/62/87/54/539628754.db2.gz JOXUSZXQEKICCJ-RYUDHWBXSA-N 1 0 315.435 2.035 10 0 DEAERO CC(C)(C)[NH2+]C[C@H]1CC[C@@H]1N1CCN(c2nccs2)CC1 ZINC000127016124 185913080 /nfs/dbraw/zinc/91/30/80/185913080.db2.gz DDQOBNRXSUJEAW-KGLIPLIRSA-N 1 0 308.495 2.432 10 0 DEAERO CCS(=O)(=O)CCn1ccc2c1cccc2C[NH2+]C1CC1 ZINC000080337093 192150831 /nfs/dbraw/zinc/15/08/31/192150831.db2.gz GMISAWLANQXGBO-UHFFFAOYSA-N 1 0 306.431 2.328 10 0 DEAERO OCC[C@@]1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CCOC1 ZINC000182122625 539655427 /nfs/dbraw/zinc/65/54/27/539655427.db2.gz KTSGUZIPCCLMJK-RDJZCZTQSA-N 1 0 309.381 2.418 10 0 DEAERO COc1cc(OC)c(CN[C@H](C)c2nccn2C)c(OC)c1 ZINC000182500226 539657110 /nfs/dbraw/zinc/65/71/10/539657110.db2.gz ZXEBCXIAXPDVEF-LLVKDONJSA-N 1 0 305.378 2.297 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(C2CC2)nc1 ZINC000181871948 539654290 /nfs/dbraw/zinc/65/42/90/539654290.db2.gz CWGIACVWMOZIRH-HUUCEWRRSA-N 1 0 315.421 2.445 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000183223992 539660260 /nfs/dbraw/zinc/66/02/60/539660260.db2.gz BHWHWLNAAIVXTN-MKBNYLNASA-N 1 0 304.390 2.373 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)NCc1cc(Br)cs1 ZINC000070600025 190908190 /nfs/dbraw/zinc/90/81/90/190908190.db2.gz DQWUOGROEQFAAD-QMMMGPOBSA-N 1 0 305.241 2.372 10 0 DEAERO CN(Cc1cc(Br)cs1)[C@@]1(C[NH3+])CCOC1 ZINC000070970679 190927372 /nfs/dbraw/zinc/92/73/72/190927372.db2.gz RPFMYMNWXNXEPZ-LLVKDONJSA-N 1 0 305.241 2.060 10 0 DEAERO Cn1ccnc1C[NH2+]CCOc1cccc(Br)c1 ZINC000071139026 190935314 /nfs/dbraw/zinc/93/53/14/190935314.db2.gz DNPLQOGOKZISAG-UHFFFAOYSA-N 1 0 310.195 2.351 10 0 DEAERO C[NH+](C)C1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000185180945 539670763 /nfs/dbraw/zinc/67/07/63/539670763.db2.gz UFOBNIXGIZDPMG-UHFFFAOYSA-N 1 0 309.498 2.297 10 0 DEAERO C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C(C)(C)C ZINC000185384455 539671663 /nfs/dbraw/zinc/67/16/63/539671663.db2.gz PHCZERODPRJPEJ-CQSZACIVSA-N 1 0 312.502 2.136 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1Oc1nccn2nc(C(F)(F)F)cc12 ZINC000130147469 185940995 /nfs/dbraw/zinc/94/09/95/185940995.db2.gz LNNWKAQUSBJGBJ-PSASIEDQSA-N 1 0 300.284 2.254 10 0 DEAERO COC[C@H](C)C[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000187227709 539678467 /nfs/dbraw/zinc/67/84/67/539678467.db2.gz CFQWYWXVLRSZDD-OAHLLOKOSA-N 1 0 308.470 2.038 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cnc(N)c(Cl)c1 ZINC000083704126 192379667 /nfs/dbraw/zinc/37/96/67/192379667.db2.gz FVCBUQFTUBHYTQ-ZYHUDNBSSA-N 1 0 308.813 2.016 10 0 DEAERO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000071312890 190955906 /nfs/dbraw/zinc/95/59/06/190955906.db2.gz MSMBBVYGUHLGQM-QSYFUGGGSA-N 1 0 314.838 2.324 10 0 DEAERO CCN(CC(=O)N[C@H](c1cccs1)C(C)C)[C@@H]1CC[NH2+]C1 ZINC000071313039 190956529 /nfs/dbraw/zinc/95/65/29/190956529.db2.gz UQOYMGCSSJRNBD-CJNGLKHVSA-N 1 0 309.479 2.245 10 0 DEAERO CC(C)(C)CS(=O)(=O)N(CCC[NH3+])c1cccc(F)c1 ZINC000083805404 192384195 /nfs/dbraw/zinc/38/41/95/192384195.db2.gz SBLMXDZSJFJYNP-UHFFFAOYSA-N 1 0 302.415 2.357 10 0 DEAERO [NH3+][C@@H](C[S@](=O)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000084001286 192395301 /nfs/dbraw/zinc/39/53/01/192395301.db2.gz BRLNHKWOLWZPJZ-LAJNKCICSA-N 1 0 307.346 2.362 10 0 DEAERO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000083996843 192395468 /nfs/dbraw/zinc/39/54/68/192395468.db2.gz JHCPCPLYFLWJKV-QEJZJMRPSA-N 1 0 303.468 2.137 10 0 DEAERO CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1Sc1n[nH]c(=O)n1C ZINC000083966952 192392876 /nfs/dbraw/zinc/39/28/76/192392876.db2.gz YMMMVIWFZXHQCA-SRVKXCTJSA-N 1 0 312.483 2.393 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170866541 197841612 /nfs/dbraw/zinc/84/16/12/197841612.db2.gz LMZDJDKLISRMSK-KCXAZCMYSA-N 1 0 315.417 2.057 10 0 DEAERO CC[NH+](CC)CCCC[NH2+][C@H](CC(=O)[O-])C(=O)c1ccccc1 ZINC000071660740 191000285 /nfs/dbraw/zinc/00/02/85/191000285.db2.gz XRVOQUHUKUIVHB-MRXNPFEDSA-N 1 0 320.433 2.424 10 0 DEAERO [NH3+]CCCc1nc(CC(=O)NC2(c3ccccc3)CC2)cs1 ZINC000071695463 191009027 /nfs/dbraw/zinc/00/90/27/191009027.db2.gz WOGQCLKHDSHRRU-UHFFFAOYSA-N 1 0 315.442 2.382 10 0 DEAERO NC(=[NH2+])c1cc(F)c(-n2cc(Br)cn2)c(F)c1 ZINC000133695070 186007471 /nfs/dbraw/zinc/00/74/71/186007471.db2.gz RJXGEVLHXNZSKM-UHFFFAOYSA-N 1 0 301.094 2.197 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)c2cccc(NC(N)=O)c2)CC1 ZINC000133720717 186009611 /nfs/dbraw/zinc/00/96/11/186009611.db2.gz PSRGICGSVSZUKO-UHFFFAOYSA-N 1 0 318.421 2.027 10 0 DEAERO C[NH+](C)CC(C)(C)CN1C(=O)C2(CC2)N[C@@H]1c1ccsc1 ZINC000138203378 186015136 /nfs/dbraw/zinc/01/51/36/186015136.db2.gz WQTKCALYPWUEGL-ZDUSSCGKSA-N 1 0 307.463 2.299 10 0 DEAERO CCC[C@@H](C)N(C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138529392 186017583 /nfs/dbraw/zinc/01/75/83/186017583.db2.gz FZFWUJOPXKXEBC-SNVBAGLBSA-N 1 0 320.405 2.493 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CC[C@@H](C)C2)c1 ZINC000138653680 186018156 /nfs/dbraw/zinc/01/81/56/186018156.db2.gz BTWHXVXJAOKFJS-SNVBAGLBSA-N 1 0 318.389 2.105 10 0 DEAERO [NH3+]CC1(C(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000139170218 186020078 /nfs/dbraw/zinc/02/00/78/186020078.db2.gz VGMWQSKBYOZDEL-UHFFFAOYSA-N 1 0 305.122 2.405 10 0 DEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139185069 186020192 /nfs/dbraw/zinc/02/01/92/186020192.db2.gz UFHQAZOYPDHJOO-JTQLQIEISA-N 1 0 320.405 2.480 10 0 DEAERO CC[C@@H](NS(=O)(=O)c1sc(Cl)nc1C)c1ncc[nH]1 ZINC000139454083 186022525 /nfs/dbraw/zinc/02/25/25/186022525.db2.gz ZNXKRQOIQZASNV-SSDOTTSWSA-N 1 0 320.827 2.258 10 0 DEAERO CCC[C@@H]1N[C@H](c2ccsc2)N(C2CC[NH+](C)CC2)C1=O ZINC000141186814 186029175 /nfs/dbraw/zinc/02/91/75/186029175.db2.gz OAFJHUQGLUQZHS-GJZGRUSLSA-N 1 0 307.463 2.441 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2c(C)n[nH]c2C)[C@@H](C)C1 ZINC000248432748 539773622 /nfs/dbraw/zinc/77/36/22/539773622.db2.gz CJUUGARSZDVORF-ZOWXZIJZSA-N 1 0 306.454 2.319 10 0 DEAERO CC[N@@H+]1CCC[C@@H](N2C(=O)C3(CC3)N[C@H]2c2cccs2)C1 ZINC000144310199 186035147 /nfs/dbraw/zinc/03/51/47/186035147.db2.gz RXZPVNDDSDPQQH-TZMCWYRMSA-N 1 0 305.447 2.195 10 0 DEAERO CC[C@@H]1N[C@H](c2ccsc2)N([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000144697059 186035676 /nfs/dbraw/zinc/03/56/76/186035676.db2.gz DRGDTOSTSCNDPX-ILXRZTDVSA-N 1 0 305.447 2.194 10 0 DEAERO CC(C)[C@@H](C[NH+](C)C)N1C(=O)C2(CC2)N[C@@H]1c1cccs1 ZINC000145075008 186036356 /nfs/dbraw/zinc/03/63/56/186036356.db2.gz KTSZAYYANHEFTA-OCCSQVGLSA-N 1 0 307.463 2.297 10 0 DEAERO CC(C)[C@H](C[NH+](C)C)N1C(=O)C2(CC2)N[C@H]1c1cccs1 ZINC000145074856 186036585 /nfs/dbraw/zinc/03/65/85/186036585.db2.gz KTSZAYYANHEFTA-GXTWGEPZSA-N 1 0 307.463 2.297 10 0 DEAERO CC(C)[C@@H](C[NH+](C)C)N1C(=O)C2(CC2)N[C@H]1c1cccs1 ZINC000145074680 186036912 /nfs/dbraw/zinc/03/69/12/186036912.db2.gz KTSZAYYANHEFTA-TZMCWYRMSA-N 1 0 307.463 2.297 10 0 DEAERO CC[NH2+]C[C@H](Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000149007712 186047030 /nfs/dbraw/zinc/04/70/30/186047030.db2.gz OCIKVHPIGVVDFN-STQMWFEESA-N 1 0 317.401 2.168 10 0 DEAERO C[NH2+][C@H](Cc1cn2ccsc2n1)Cc1ccc(OC)nc1 ZINC000149255343 186048520 /nfs/dbraw/zinc/04/85/20/186048520.db2.gz WQYUZSATTUESRP-LBPRGKRZSA-N 1 0 302.403 2.173 10 0 DEAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000149313471 186049101 /nfs/dbraw/zinc/04/91/01/186049101.db2.gz HEGLUONOUNWUKG-GDBMZVCRSA-N 1 0 310.463 2.194 10 0 DEAERO C[C@H](CS(=O)(=O)NCC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000149371351 186049727 /nfs/dbraw/zinc/04/97/27/186049727.db2.gz LPQCYKQYHVPNRP-ZBFHGGJFSA-N 1 0 310.463 2.242 10 0 DEAERO C[C@H](CS(=O)(=O)NC[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000149596200 186051700 /nfs/dbraw/zinc/05/17/00/186051700.db2.gz WIEFNXDRPHOWAE-FVQBIDKESA-N 1 0 310.463 2.085 10 0 DEAERO CCCNc1nc(Cl)nc(NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000149710502 186052716 /nfs/dbraw/zinc/05/27/16/186052716.db2.gz YSWJUTBKKLJVMZ-NSHDSACASA-N 1 0 312.849 2.491 10 0 DEAERO [NH3+]C1(CNCc2cc(Br)cs2)CCOCC1 ZINC000149812121 186053172 /nfs/dbraw/zinc/05/31/72/186053172.db2.gz KDBLHBGGBZFVDB-UHFFFAOYSA-N 1 0 305.241 2.108 10 0 DEAERO C[NH2+]Cc1csc(S(=O)(=O)NCCCC(F)(F)F)c1 ZINC000149982095 186054244 /nfs/dbraw/zinc/05/42/44/186054244.db2.gz GSUOHCAMKZHBIC-UHFFFAOYSA-N 1 0 316.370 2.088 10 0 DEAERO CCC[NH2+][C@H](c1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000150179233 186055700 /nfs/dbraw/zinc/05/57/00/186055700.db2.gz UBHUJNFKCPZDSS-YGRLFVJLSA-N 1 0 303.374 2.440 10 0 DEAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000152428186 186071530 /nfs/dbraw/zinc/07/15/30/186071530.db2.gz AUZLDRLMEDLJKA-CJNGLKHVSA-N 1 0 312.417 2.452 10 0 DEAERO CC1(C)C[N@H+](CC[C@H](O)c2ccc(Cl)cc2)C[C@@H](CO)O1 ZINC000163955735 186143533 /nfs/dbraw/zinc/14/35/33/186143533.db2.gz DPTASVXOUWCZOV-GJZGRUSLSA-N 1 0 313.825 2.235 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1cc(C)ccc1Br ZINC000163973867 186144455 /nfs/dbraw/zinc/14/44/55/186144455.db2.gz ZLXGPSPSZSANEH-LLVKDONJSA-N 1 0 315.211 2.450 10 0 DEAERO CC[NH2+]Cc1cc(F)c(C)c(S(=O)(=O)NC2CC(C)C2)c1 ZINC000164003911 186145546 /nfs/dbraw/zinc/14/55/46/186145546.db2.gz AQJXYPSHCDSZMZ-UHFFFAOYSA-N 1 0 314.426 2.320 10 0 DEAERO [NH3+]C1CC(Oc2ncc(Br)cc2Br)C1 ZINC000164060058 186147813 /nfs/dbraw/zinc/14/78/13/186147813.db2.gz GBQHOLCJSHBYIK-UHFFFAOYSA-N 1 0 322.000 2.475 10 0 DEAERO CCc1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cc1F ZINC000164121019 186149338 /nfs/dbraw/zinc/14/93/38/186149338.db2.gz FRSGPZBWAJGXLR-UHFFFAOYSA-N 1 0 323.412 2.031 10 0 DEAERO C[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[S@](C)=O ZINC000159683960 186135359 /nfs/dbraw/zinc/13/53/59/186135359.db2.gz WYYNIYOEMFWOHT-WVDJIFEKSA-N 1 0 317.838 2.358 10 0 DEAERO CCOC(=O)[C@@H](c1ccc(F)c(Cl)c1)N1CCC[NH2+]CC1 ZINC000163855537 186140467 /nfs/dbraw/zinc/14/04/67/186140467.db2.gz AGGNQEYAWCTNAD-CQSZACIVSA-N 1 0 314.788 2.379 10 0 DEAERO CCOC(=O)[C@H](c1ccc(F)c(Cl)c1)N1CCC[NH2+]CC1 ZINC000163855674 186140669 /nfs/dbraw/zinc/14/06/69/186140669.db2.gz AGGNQEYAWCTNAD-AWEZNQCLSA-N 1 0 314.788 2.379 10 0 DEAERO C[C@@H]([NH3+])Cc1ccc(N2CCS(=O)CC2)c(C(F)(F)F)c1 ZINC000163880174 186141179 /nfs/dbraw/zinc/14/11/79/186141179.db2.gz PDGBUCHWRHGVKT-SNVBAGLBSA-N 1 0 320.380 2.164 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000164276256 186154695 /nfs/dbraw/zinc/15/46/95/186154695.db2.gz SWDCKXHYAPQXPH-DTWKUNHWSA-N 1 0 300.200 2.094 10 0 DEAERO COc1cnn(C(C)C)c1C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000164280826 186154706 /nfs/dbraw/zinc/15/47/06/186154706.db2.gz YIFBFOPMANLDQF-LBPRGKRZSA-N 1 0 305.300 2.197 10 0 DEAERO NC(=[NH2+])c1cc(N2CCC(CO)CC2)ccc1C(F)(F)F ZINC000164290368 186155270 /nfs/dbraw/zinc/15/52/70/186155270.db2.gz SGPWHRADBKGMRQ-UHFFFAOYSA-N 1 0 301.312 2.198 10 0 DEAERO Cc1ccc(Br)c(-n2nnnc2C[NH2+]C(C)C)c1 ZINC000164341244 186157000 /nfs/dbraw/zinc/15/70/00/186157000.db2.gz AGSALXWVNXYCQQ-UHFFFAOYSA-N 1 0 310.199 2.231 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)Cc2ccccc2)C1 ZINC000188004695 186242257 /nfs/dbraw/zinc/24/22/57/186242257.db2.gz IAJFCDKJJJTVAJ-MAUKXSAKSA-N 1 0 304.434 2.128 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000188005054 186242300 /nfs/dbraw/zinc/24/23/00/186242300.db2.gz IZBKRMNAGARIEO-XIKOKIGWSA-N 1 0 317.385 2.482 10 0 DEAERO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181911080 186217980 /nfs/dbraw/zinc/21/79/80/186217980.db2.gz GZKNJHSIDXSXMV-UONOGXRCSA-N 1 0 315.421 2.173 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)c2ccccc2OC)[C@H](C)C1 ZINC000186047396 186234977 /nfs/dbraw/zinc/23/49/77/186234977.db2.gz QILLFFVIINWFDK-HIFRSBDPSA-N 1 0 318.417 2.067 10 0 DEAERO CC(C)[C@H](O)CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000247230130 535151762 /nfs/dbraw/zinc/15/17/62/535151762.db2.gz OTICNMGXUVGEJM-BZUAXINKSA-N 1 0 313.486 2.061 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3nc(-c4ccccn4)nc4c3CCC4)C[C@@H]12 ZINC000333873692 282982811 /nfs/dbraw/zinc/98/28/11/282982811.db2.gz CERCUZWDDBPCPY-BPLDGKMQSA-N 1 0 321.428 2.201 10 0 DEAERO CCCCc1nnc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000171886652 198001310 /nfs/dbraw/zinc/00/13/10/198001310.db2.gz XYZYLMKSWYBPGR-LLVKDONJSA-N 1 0 309.439 2.193 10 0 DEAERO C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901212 198004452 /nfs/dbraw/zinc/00/44/52/198004452.db2.gz HOVGJAWRFSTUOY-BZUAXINKSA-N 1 0 309.454 2.071 10 0 DEAERO CC(C)(C)C1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000172033591 198029626 /nfs/dbraw/zinc/02/96/26/198029626.db2.gz MKUHEKYGKJQLSN-UHFFFAOYSA-N 1 0 323.359 2.133 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2cccs2)no1 ZINC000172082708 198037113 /nfs/dbraw/zinc/03/71/13/198037113.db2.gz CIJAMAFPAMEPRC-VXGBXAGGSA-N 1 0 304.419 2.467 10 0 DEAERO O=C(C[C@H]1CCOc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172120148 198042275 /nfs/dbraw/zinc/04/22/75/198042275.db2.gz VOYAFBZAROBMOK-HUUCEWRRSA-N 1 0 300.402 2.249 10 0 DEAERO CC(C)(C)C1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000172031850 198028295 /nfs/dbraw/zinc/02/82/95/198028295.db2.gz YDXQYZHKILUWBX-UHFFFAOYSA-N 1 0 309.454 2.465 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000333877400 282984031 /nfs/dbraw/zinc/98/40/31/282984031.db2.gz VOXLDMAKKUNTLV-HZPDHXFCSA-N 1 0 321.396 2.051 10 0 DEAERO CS[C@H](C(=O)NCCCC[NH+]1CCOCC1)c1ccccc1 ZINC000172514280 198108153 /nfs/dbraw/zinc/10/81/53/198108153.db2.gz LRAQOJGYFXKFLT-INIZCTEOSA-N 1 0 322.474 2.319 10 0 DEAERO CCn1cnnc1C1CC[NH+](CCc2scnc2C)CC1 ZINC000172536064 198111761 /nfs/dbraw/zinc/11/17/61/198111761.db2.gz JDDZYYHGNZXXRD-UHFFFAOYSA-N 1 0 305.451 2.485 10 0 DEAERO Cc1nc2ccccc2n1CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000172620399 198125588 /nfs/dbraw/zinc/12/55/88/198125588.db2.gz ZOKHPRNALUXJGG-HIFRSBDPSA-N 1 0 314.433 2.286 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)CC[N@@H+]1C ZINC000172620611 198127116 /nfs/dbraw/zinc/12/71/16/198127116.db2.gz 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DEAERO C[C@H](CCc1cccn1C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000173509529 198222264 /nfs/dbraw/zinc/22/22/64/198222264.db2.gz GIFQOWJQRUKUQI-NVXWUHKLSA-N 1 0 318.465 2.226 10 0 DEAERO C[C@H](CCc1cccc(F)c1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000173522641 198223964 /nfs/dbraw/zinc/22/39/64/198223964.db2.gz WSGJWZNLOFVSJF-RHSMWYFYSA-N 1 0 322.424 2.183 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000333551949 539963266 /nfs/dbraw/zinc/96/32/66/539963266.db2.gz KIEYWMRMYUZQIE-NCOADZHNSA-N 1 0 316.449 2.001 10 0 DEAERO O=C(NCC[NH2+]C1CCCCCC1)N1CCO[C@H](C2CC2)C1 ZINC000333747795 539970962 /nfs/dbraw/zinc/97/09/62/539970962.db2.gz YPWUBZNIYNDDNO-INIZCTEOSA-N 1 0 309.454 2.119 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(Cc2ccc(F)cc2C(=O)OC)C1 ZINC000173902943 198266671 /nfs/dbraw/zinc/26/66/71/198266671.db2.gz DXTVZYUGNSGJDA-CYBMUJFWSA-N 1 0 308.397 2.386 10 0 DEAERO Cc1nc(C)c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)o1 ZINC000073010021 191268605 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C[NH+](C)C1(CNC(=O)NC/C=C/c2ccccc2)CCOCC1 ZINC000073217796 191293412 /nfs/dbraw/zinc/29/34/12/191293412.db2.gz BYTWZYKRTDRNEL-RMKNXTFCSA-N 1 0 317.433 2.110 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCCOC1)c1ccccc1 ZINC000057162125 354558835 /nfs/dbraw/zinc/55/88/35/354558835.db2.gz DACZVJQWGRBFKM-ZBFHGGJFSA-N 1 0 305.422 2.015 10 0 DEAERO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3C[C@@H]3C)CC2)c1 ZINC000073327894 191304961 /nfs/dbraw/zinc/30/49/61/191304961.db2.gz OEDREVSACVVDQN-DOTOQJQBSA-N 1 0 301.434 2.032 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)NC(=O)C2CCCCC2)C1 ZINC000067156326 354750300 /nfs/dbraw/zinc/75/03/00/354750300.db2.gz DVOXMFMKDZMUAE-ZBFHGGJFSA-N 1 0 323.481 2.062 10 0 DEAERO Cc1nnc([C@H](C)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000069016749 354844811 /nfs/dbraw/zinc/84/48/11/354844811.db2.gz HFPSEYRFWDXUQG-MCIONIFRSA-N 1 0 322.453 2.260 10 0 DEAERO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CCO)c1ccc(F)cc1 ZINC000070953137 354892576 /nfs/dbraw/zinc/89/25/76/354892576.db2.gz YGSSSSQOXLMPKG-XJKSGUPXSA-N 1 0 308.397 2.240 10 0 DEAERO CCc1nc(-n2nc(C)cc2C)nc(N[C@H]2CCC[NH2+]C2)c1C ZINC000073685358 191341776 /nfs/dbraw/zinc/34/17/76/191341776.db2.gz OUCIZDBKDWVSAI-AWEZNQCLSA-N 1 0 314.437 2.314 10 0 DEAERO CC[NH2+]Cc1cn(Cc2csc(Br)c2)nn1 ZINC000085272908 192485895 /nfs/dbraw/zinc/48/58/95/192485895.db2.gz KTBBJQZQKFQCBG-UHFFFAOYSA-N 1 0 301.213 2.260 10 0 DEAERO COc1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc(OC)c1 ZINC000177091500 198664808 /nfs/dbraw/zinc/66/48/08/198664808.db2.gz ZQRDLXSFLYXKTQ-TZMCWYRMSA-N 1 0 319.405 2.404 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(CCSc2ccccc2F)CC1 ZINC000075959265 191542879 /nfs/dbraw/zinc/54/28/79/191542879.db2.gz AOXAUADYZOGYGY-CQSZACIVSA-N 1 0 312.454 2.306 10 0 DEAERO Cc1cccc2c1CCN2C(=O)NCCCC[NH+]1CCOCC1 ZINC000124766232 355809568 /nfs/dbraw/zinc/80/95/68/355809568.db2.gz RLQDCVFLZYTPGE-UHFFFAOYSA-N 1 0 317.433 2.180 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(F)c2)CC1 ZINC000128637327 355829188 /nfs/dbraw/zinc/82/91/88/355829188.db2.gz UJXZTMWDIKTBMW-UHFFFAOYSA-N 1 0 321.396 2.002 10 0 DEAERO CC[C@H](CSC)NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000179972009 356038061 /nfs/dbraw/zinc/03/80/61/356038061.db2.gz QWJACVKXTYQPRG-MJBXVCDLSA-N 1 0 301.500 2.500 10 0 DEAERO CCC[C@H](C)C[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000180040812 356040660 /nfs/dbraw/zinc/04/06/60/356040660.db2.gz XXIBPKSJRWKZTG-INIZCTEOSA-N 1 0 309.498 2.489 10 0 DEAERO CC(C)C[C@@H](CNC(=O)[C@@H](C)Oc1cccc(CO)c1)[NH+](C)C ZINC000180389746 356049320 /nfs/dbraw/zinc/04/93/20/356049320.db2.gz QRIFYCKKMUXVMZ-ZBFHGGJFSA-N 1 0 322.449 2.039 10 0 DEAERO CCC[NH2+][C@H](C)c1ccc(S[C@H](C)C(=O)NC(N)=O)cc1 ZINC000079582870 191953906 /nfs/dbraw/zinc/95/39/06/191953906.db2.gz MROPQBGUKFMAFX-GHMZBOCLSA-N 1 0 309.435 2.423 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)COc1cccc(C)c1 ZINC000180828881 356062784 /nfs/dbraw/zinc/06/27/84/356062784.db2.gz OEVFMAWUQINYMM-KURKYZTESA-N 1 0 318.461 2.293 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000182017508 356105228 /nfs/dbraw/zinc/10/52/28/356105228.db2.gz TUDNQBAIBBNRIG-BBRMVZONSA-N 1 0 317.433 2.305 10 0 DEAERO CC(C)CC[NH+]1CCC(CNC(=O)Nc2nncs2)CC1 ZINC000079771968 191971237 /nfs/dbraw/zinc/97/12/37/191971237.db2.gz JKXXQGXWVXIPBD-UHFFFAOYSA-N 1 0 311.455 2.418 10 0 DEAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000181676658 356090371 /nfs/dbraw/zinc/09/03/71/356090371.db2.gz AIWMVAMMTWRITH-CQSZACIVSA-N 1 0 312.454 2.489 10 0 DEAERO CCC[NH2+][C@@H](C)[C@H]1CCCN(S(=O)(=O)CC(C)(C)C)C1 ZINC000080185115 192009945 /nfs/dbraw/zinc/00/99/45/192009945.db2.gz KLTRQPSIOAPXIY-KBPBESRZSA-N 1 0 304.500 2.462 10 0 DEAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccccc2OCC(=O)OC)C1 ZINC000183391831 356170526 /nfs/dbraw/zinc/17/05/26/356170526.db2.gz ZTWPGGCGSOVHDF-GJZGRUSLSA-N 1 0 320.433 2.373 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000193244405 356224379 /nfs/dbraw/zinc/22/43/79/356224379.db2.gz XVNOZVCRIDDJGL-SECBINFHSA-N 1 0 308.382 2.334 10 0 DEAERO CCN1CCC([N@H+](C)C[C@H](C(N)=S)c2ccccc2)CC1 ZINC000080797499 192191793 /nfs/dbraw/zinc/19/17/93/192191793.db2.gz ZKLCKJVPXRILMH-INIZCTEOSA-N 1 0 305.491 2.472 10 0 DEAERO [NH3+]C[C@@H](O)c1cc(Br)c(Br)s1 ZINC000227972273 356281407 /nfs/dbraw/zinc/28/14/07/356281407.db2.gz IUGNVQVPVCQWMV-SCSAIBSYSA-N 1 0 301.003 2.265 10 0 DEAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(=O)n(C)c2)C1 ZINC000194841606 356246224 /nfs/dbraw/zinc/24/62/24/356246224.db2.gz CJIJFFRZQGPCQM-CYBMUJFWSA-N 1 0 320.437 2.017 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCCOC2CCCC2)CC1 ZINC000194942910 356248029 /nfs/dbraw/zinc/24/80/29/356248029.db2.gz PLEMCBMNXICFCN-UHFFFAOYSA-N 1 0 311.470 2.367 10 0 DEAERO [NH3+]CCC(=O)Nc1c(Br)cccc1Br ZINC000232126941 356285100 /nfs/dbraw/zinc/28/51/00/356285100.db2.gz QYUSQPUKGZDBND-UHFFFAOYSA-N 1 0 322.000 2.499 10 0 DEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cn3)C[C@@H]2C1 ZINC000398753358 283150234 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COCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 ZINC000328605066 356459687 /nfs/dbraw/zinc/45/96/87/356459687.db2.gz MEHGOBWVVFROLL-MELADBBJSA-N 1 0 310.442 2.004 10 0 DEAERO CCOC(=O)CCCNC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000081524425 192281845 /nfs/dbraw/zinc/28/18/45/192281845.db2.gz RINAGSGXYXPNJO-ZDUSSCGKSA-N 1 0 300.443 2.237 10 0 DEAERO C[NH2+][C@@H](CCN1CCn2cnnc2C1)c1ccc(Cl)cc1 ZINC000081541899 192288317 /nfs/dbraw/zinc/28/83/17/192288317.db2.gz VRSGCAAUPFIFSI-AWEZNQCLSA-N 1 0 305.813 2.098 10 0 DEAERO CCC[NH2+]CCNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000236861307 202042172 /nfs/dbraw/zinc/04/21/72/202042172.db2.gz VXYMKEJHFFZUIO-UHFFFAOYSA-N 1 0 314.389 2.343 10 0 DEAERO CCOc1ccc(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000236970119 202101157 /nfs/dbraw/zinc/10/11/57/202101157.db2.gz JGVUINOBARXNHC-XYPWUTKMSA-N 1 0 302.418 2.369 10 0 DEAERO CCc1cnc(CCNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000237008660 202119716 /nfs/dbraw/zinc/11/97/16/202119716.db2.gz OLCTWTPZDBNOSN-CHWSQXEVSA-N 1 0 309.479 2.390 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000384075593 356682009 /nfs/dbraw/zinc/68/20/09/356682009.db2.gz QZGQYRJDDHMVFO-ZWKOTPCHSA-N 1 0 316.445 2.441 10 0 DEAERO C[C@]1(C(=O)N2CC[C@@H](COCc3ccccc3)C2)CCC[NH2+]1 ZINC000384077056 356682260 /nfs/dbraw/zinc/68/22/60/356682260.db2.gz SSJLCVAKWPRXCI-SJLPKXTDSA-N 1 0 302.418 2.194 10 0 DEAERO OCCN1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000399218457 356721088 /nfs/dbraw/zinc/72/10/88/356721088.db2.gz JROMTNUEJXZGJW-UHFFFAOYSA-N 1 0 319.268 2.057 10 0 DEAERO c1cnc(N2CCC[C@H]([NH2+]Cc3ccc4c(n3)CCC4)C2)nc1 ZINC000578614756 356844291 /nfs/dbraw/zinc/84/42/91/356844291.db2.gz HYJKCSKLAICUDC-INIZCTEOSA-N 1 0 309.417 2.119 10 0 DEAERO Cc1ccc(-c2noc(C[N@@H+](C)C3(CO)CCOCC3)n2)cc1 ZINC000579424392 356969828 /nfs/dbraw/zinc/96/98/28/356969828.db2.gz HGTHKWRHRVGQTE-UHFFFAOYSA-N 1 0 317.389 2.018 10 0 DEAERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000237249621 202205345 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ZINC000179469285 199041113 /nfs/dbraw/zinc/04/11/13/199041113.db2.gz WONLFYGEONCEIO-MRXNPFEDSA-N 1 0 316.405 2.140 10 0 DEAERO COCCCOc1cccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000179550746 199053009 /nfs/dbraw/zinc/05/30/09/199053009.db2.gz IIKYBPZOJJMCKF-QGZVFWFLSA-N 1 0 304.434 2.382 10 0 DEAERO CC(C)CN(C(C)C)S(=O)(=O)c1ccc(OCC[NH3+])cc1 ZINC000089005278 192691687 /nfs/dbraw/zinc/69/16/87/192691687.db2.gz KXKBCXVLIDPDPM-UHFFFAOYSA-N 1 0 314.451 2.079 10 0 DEAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(CC(C)C)C(C)C ZINC000089005348 192692039 /nfs/dbraw/zinc/69/20/39/192692039.db2.gz MYPGMCPWMIWBCE-HNNXBMFYSA-N 1 0 319.515 2.062 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc3n[nH]nc3c2)[C@@H]1c1ccccc1 ZINC000180111975 199118431 /nfs/dbraw/zinc/11/84/31/199118431.db2.gz UGEMDDGGBMVQOV-RDJZCZTQSA-N 1 0 321.384 2.133 10 0 DEAERO Fc1cc(C[NH2+]Cc2ccccc2)cnc1N1CCOCC1 ZINC000185077355 199805820 /nfs/dbraw/zinc/80/58/20/199805820.db2.gz PAKBSVQWJYTLRG-UHFFFAOYSA-N 1 0 301.365 2.347 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(Cl)cn1 ZINC000180757808 199205568 /nfs/dbraw/zinc/20/55/68/199205568.db2.gz HWBVWBYLSFBNDA-CQSZACIVSA-N 1 0 310.829 2.409 10 0 DEAERO CCn1cc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000180934997 199230795 /nfs/dbraw/zinc/23/07/95/199230795.db2.gz KSCIFZCHRKYPNC-ZFWWWQNUSA-N 1 0 300.410 2.013 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)cs1 ZINC000089011307 192696759 /nfs/dbraw/zinc/69/67/59/192696759.db2.gz ZQBFDUOTAQOLKR-KGLIPLIRSA-N 1 0 308.428 2.041 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)NC2(C)CCCCC2)cn1C ZINC000089013158 192697146 /nfs/dbraw/zinc/69/71/46/192697146.db2.gz QHCZSXPORQNWOQ-UHFFFAOYSA-N 1 0 313.467 2.136 10 0 DEAERO CC[NH2+]Cc1c(F)ccc(S(=O)(=O)N[C@H]2CC2(C)C)c1F ZINC000089014071 192698686 /nfs/dbraw/zinc/69/86/86/192698686.db2.gz LSIIKPJYQUHPPR-LBPRGKRZSA-N 1 0 318.389 2.151 10 0 DEAERO C[NH2+]Cc1ccc(CS(=O)(=O)N2C[C@H](C)CC[C@@H]2C)cc1 ZINC000089050598 192721987 /nfs/dbraw/zinc/72/19/87/192721987.db2.gz UONFURAZVCBFDP-KGLIPLIRSA-N 1 0 310.463 2.356 10 0 DEAERO CC[C@@]1(C)C[NH2+]CCN1Cc1c(Br)c(C)nn1C ZINC000089270238 192754565 /nfs/dbraw/zinc/75/45/65/192754565.db2.gz DKQQWNRUWUBQAI-ZDUSSCGKSA-N 1 0 315.259 2.065 10 0 DEAERO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H](c2ccccc2)O1 ZINC000599324631 359463092 /nfs/dbraw/zinc/46/30/92/359463092.db2.gz RZOHNSCXCIAWMT-DJIMGWMZSA-N 1 0 302.418 2.459 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc3ccccc32)[C@@H](C)C1 ZINC000186962888 200038474 /nfs/dbraw/zinc/03/84/74/200038474.db2.gz HGOCHWOCDJWWQI-LSDHHAIUSA-N 1 0 312.413 2.367 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccnc2ccncc21 ZINC000187177382 200072717 /nfs/dbraw/zinc/07/27/17/200072717.db2.gz NVUUBYJVBLQELN-ZDUSSCGKSA-N 1 0 300.406 2.336 10 0 DEAERO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H](C)[C@@H](C)CO ZINC000187258563 200084555 /nfs/dbraw/zinc/08/45/55/200084555.db2.gz XPYPIJAGJAYAFX-WDEREUQCSA-N 1 0 319.854 2.240 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C 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CC(=O)Nc1ccc(C)c(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c1 ZINC000188917336 200321758 /nfs/dbraw/zinc/32/17/58/200321758.db2.gz JANBWXPVDDNTCB-CHWSQXEVSA-N 1 0 303.406 2.118 10 0 DEAERO CO[C@H]1C[N@H+](Cc2cc(=O)oc3cc(O)ccc23)CC[C@@H]1C ZINC000189253132 200370562 /nfs/dbraw/zinc/37/05/62/200370562.db2.gz RFLUKCCTVPFSAF-ZBEGNZNMSA-N 1 0 303.358 2.355 10 0 DEAERO CO[C@H]1C[N@H+](CCC(=O)NC(=O)Nc2ccccc2)CC[C@@H]1C ZINC000189263790 200372045 /nfs/dbraw/zinc/37/20/45/200372045.db2.gz QLHIMNIHDIBBGO-ZFWWWQNUSA-N 1 0 319.405 2.082 10 0 DEAERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H](OC)C2)cc1 ZINC000189268724 200373263 /nfs/dbraw/zinc/37/32/63/200373263.db2.gz LJXBAZPUUSNUMH-BBRMVZONSA-N 1 0 306.406 2.381 10 0 DEAERO CCCC[N@H+](C)CCNC(=O)CN(C)c1ccc(Cl)cn1 ZINC000602176821 360301045 /nfs/dbraw/zinc/30/10/45/360301045.db2.gz VPKJLYOOQGEFEA-UHFFFAOYSA-N 1 0 312.845 2.019 10 0 DEAERO CCSCC[C@H](C)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602457889 360382813 /nfs/dbraw/zinc/38/28/13/360382813.db2.gz JIRGVGRCMSDVPQ-HOCLYGCPSA-N 1 0 323.506 2.094 10 0 DEAERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000281230333 216170836 /nfs/dbraw/zinc/17/08/36/216170836.db2.gz LBIUYGLLSGPKIQ-ZACQAIPSSA-N 1 0 302.418 2.301 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1cccc(Nc2ncccn2)c1 ZINC000603292012 360781157 /nfs/dbraw/zinc/78/11/57/360781157.db2.gz WRKLUOQIIOLUFP-UHFFFAOYSA-N 1 0 313.405 2.292 10 0 DEAERO C[C@H]1Cc2ccccc2N1C1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000604758637 360931456 /nfs/dbraw/zinc/93/14/56/360931456.db2.gz FNDVGCMTFYYNTC-KSSFIOAISA-N 1 0 313.445 2.133 10 0 DEAERO O=c1n(CC[N@@H+]2CCCC[C@@H]2c2ccco2)nc2ccccn21 ZINC000604760444 360931781 /nfs/dbraw/zinc/93/17/81/360931781.db2.gz HWUVBBDPONRXFC-CQSZACIVSA-N 1 0 312.373 2.316 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1Cc2ccc(C(=O)OC)cc2C1 ZINC000609308938 361298696 /nfs/dbraw/zinc/29/86/96/361298696.db2.gz TXBMZPXJLQFWGI-MRXNPFEDSA-N 1 0 316.401 2.190 10 0 DEAERO CCOc1cc2c(cc1OCC)CN(C(=O)CC[C@H](C)[NH3+])CC2 ZINC000193181520 201003871 /nfs/dbraw/zinc/00/38/71/201003871.db2.gz ZHNFXNLAEGKIPJ-ZDUSSCGKSA-N 1 0 320.433 2.496 10 0 DEAERO C[C@H]([NH3+])CCC(=O)NCCOc1ccccc1C(F)(F)F ZINC000193245196 201011876 /nfs/dbraw/zinc/01/18/76/201011876.db2.gz SMYRYZCVKUMBLC-JTQLQIEISA-N 1 0 304.312 2.328 10 0 DEAERO COc1cc(C)c(S(=O)(=O)NCC[C@H](C)[NH3+])cc1C(C)C ZINC000193253740 201014371 /nfs/dbraw/zinc/01/43/71/201014371.db2.gz QCMQXPCDAIVFKF-LBPRGKRZSA-N 1 0 314.451 2.143 10 0 DEAERO COC(=O)[C@@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CC1 ZINC000358844665 291264321 /nfs/dbraw/zinc/26/43/21/291264321.db2.gz DTDUBDYHLNNVDS-GUYCJALGSA-N 1 0 317.433 2.148 10 0 DEAERO COC(=O)[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)C1CC1 ZINC000358810529 291266863 /nfs/dbraw/zinc/26/68/63/291266863.db2.gz FZVCWNRIDFRULD-SJORKVTESA-N 1 0 302.418 2.365 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000193648320 201096355 /nfs/dbraw/zinc/09/63/55/201096355.db2.gz FOFNUMLELUMNAM-SMDDNHRTSA-N 1 0 318.808 2.396 10 0 DEAERO Cc1nc(C)c(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000628219038 366772399 /nfs/dbraw/zinc/77/23/99/366772399.db2.gz ZWVYHEBBJRJPTR-SFHVURJKSA-N 1 0 315.417 2.018 10 0 DEAERO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCn2ccccc2=O)C1 ZINC000610763253 361461727 /nfs/dbraw/zinc/46/17/27/361461727.db2.gz ICLUBSYQIFKLTL-HNNXBMFYSA-N 1 0 320.433 2.292 10 0 DEAERO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000611286384 361573216 /nfs/dbraw/zinc/57/32/16/361573216.db2.gz XUMWGILUIQSUJJ-KRWDZBQOSA-N 1 0 303.402 2.310 10 0 DEAERO O=c1c(Br)cncn1CC[NH2+]C1CCCCCC1 ZINC000090765932 192930204 /nfs/dbraw/zinc/93/02/04/192930204.db2.gz UKKGTJPALOJDAR-UHFFFAOYSA-N 1 0 314.227 2.318 10 0 DEAERO c1ccc(Cn2nnnc2SCCC[NH+]2CCCC2)cc1 ZINC000194970953 201319627 /nfs/dbraw/zinc/31/96/27/201319627.db2.gz FPBLSWCVUSAWAB-UHFFFAOYSA-N 1 0 303.435 2.299 10 0 DEAERO O=C(Cc1ccc(Cl)c(F)c1)NCCNc1cc[nH+]cc1 ZINC000448036489 239235303 /nfs/dbraw/zinc/23/53/03/239235303.db2.gz YLCCIRDWZUTSTQ-UHFFFAOYSA-N 1 0 307.756 2.067 10 0 DEAERO c1cc(C[NH2+][C@H]2CCc3n[nH]cc3C2)n(CCc2ccccc2)n1 ZINC000621337327 364358996 /nfs/dbraw/zinc/35/89/96/364358996.db2.gz VJAXKWMGXFUQAL-KRWDZBQOSA-N 1 0 321.428 2.496 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)c2ccccc21 ZINC000621765389 364539120 /nfs/dbraw/zinc/53/91/20/364539120.db2.gz XUEQFXPSFKTGKG-DZGCQCFKSA-N 1 0 310.344 2.498 10 0 DEAERO c1cn2c(n1)CC[C@@H](C[NH2+]Cc1ccc(N3CCCC3)nc1)C2 ZINC000275360417 212291047 /nfs/dbraw/zinc/29/10/47/212291047.db2.gz AZAPTGMYLLMFGF-INIZCTEOSA-N 1 0 311.433 2.231 10 0 DEAERO CCN1CCO[C@@H](CNCc2c(F)ccc(F)c2Cl)C1 ZINC000623408067 365018931 /nfs/dbraw/zinc/01/89/31/365018931.db2.gz GWZINAJHKPGNIC-JTQLQIEISA-N 1 0 304.768 2.429 10 0 DEAERO c1nnc2ccc(N3CC[C@H]([NH2+]CC4CCCCCC4)C3)nn12 ZINC000623652239 365117464 /nfs/dbraw/zinc/11/74/64/365117464.db2.gz ALWXRMDRKYBTRA-HNNXBMFYSA-N 1 0 314.437 2.263 10 0 DEAERO Cc1nccn1CCNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000623705948 365138063 /nfs/dbraw/zinc/13/80/63/365138063.db2.gz ZSVVAYRLBVYJNC-PJPHBNEVSA-N 1 0 302.422 2.412 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000091135270 193001420 /nfs/dbraw/zinc/00/14/20/193001420.db2.gz WCDISYWZMPAVQG-VWYCJHECSA-N 1 0 310.385 2.319 10 0 DEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000623765047 365166735 /nfs/dbraw/zinc/16/67/35/365166735.db2.gz NAJHECJGHIZNCR-NEPJUHHUSA-N 1 0 320.614 2.342 10 0 DEAERO O=C(C[C@H]1CSCC[NH2+]1)Nc1cc2c(cc1Cl)OCO2 ZINC000091134862 193001871 /nfs/dbraw/zinc/00/18/71/193001871.db2.gz PANRYCMDQDRHCZ-QMMMGPOBSA-N 1 0 314.794 2.102 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(Br)s1 ZINC000623767490 365167992 /nfs/dbraw/zinc/16/79/92/365167992.db2.gz WVQHREDLDLGWAD-CIUDSAMLSA-N 1 0 306.225 2.311 10 0 DEAERO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000623710422 365140089 /nfs/dbraw/zinc/14/00/89/365140089.db2.gz CDNIPLKGDUJPBY-LBPRGKRZSA-N 1 0 317.202 2.008 10 0 DEAERO Cc1cccc(N2CCN(CC[C@H]3CSCC[NH2+]3)CC2)c1 ZINC000091291984 193033159 /nfs/dbraw/zinc/03/31/59/193033159.db2.gz OMZZZRKWCUNGLC-INIZCTEOSA-N 1 0 305.491 2.212 10 0 DEAERO CCCNC(=O)C[C@@H](C[NH3+])Nc1cccc(Br)c1 ZINC000091317809 193037780 /nfs/dbraw/zinc/03/77/80/193037780.db2.gz QJFZRXJDYBTGMI-LBPRGKRZSA-N 1 0 314.227 2.105 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC000624018175 365255179 /nfs/dbraw/zinc/25/51/79/365255179.db2.gz NNGBOKAJNQLSTN-CZUORRHYSA-N 1 0 312.417 2.359 10 0 DEAERO CSC(C)(C)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091350002 193045176 /nfs/dbraw/zinc/04/51/76/193045176.db2.gz NBPCXXBVZCTGQN-JTQLQIEISA-N 1 0 302.465 2.126 10 0 DEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(Br)c(C)n1 ZINC000091507214 193066852 /nfs/dbraw/zinc/06/68/52/193066852.db2.gz APAWJSUZJMZIIA-MRVPVSSYSA-N 1 0 300.200 2.479 10 0 DEAERO CCn1c2ccc(Br)cc2nc1C[C@](C)(O)C[NH3+] ZINC000091523983 193068565 /nfs/dbraw/zinc/06/85/65/193068565.db2.gz ARGBOIJDRVJRSR-ZDUSSCGKSA-N 1 0 312.211 2.071 10 0 DEAERO CC[C@](C)([C@@H]([NH3+])CCCS(=O)(=O)CC)N1CCCCC1 ZINC000091608948 193079945 /nfs/dbraw/zinc/07/99/45/193079945.db2.gz YJSQTSIBJHMIRB-LSDHHAIUSA-N 1 0 304.500 2.183 10 0 DEAERO CC(C)([C@@H]([NH3+])Cc1c(F)cccc1Cl)N1CCOCC1 ZINC000091566216 193073824 /nfs/dbraw/zinc/07/38/24/193073824.db2.gz BNDFQAUBYPTDBM-AWEZNQCLSA-N 1 0 300.805 2.460 10 0 DEAERO Cc1cc([C@@H](C[NH3+])N2CCOC[C@@H]2C)ccc1Br ZINC000091470580 193060632 /nfs/dbraw/zinc/06/06/32/193060632.db2.gz QVZKKFPGGYHWFG-SMDDNHRTSA-N 1 0 313.239 2.478 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2C)C1 ZINC000091479781 193062147 /nfs/dbraw/zinc/06/21/47/193062147.db2.gz FOSOSCSGSVSZGN-ZYHUDNBSSA-N 1 0 302.296 2.329 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1sccc1Br ZINC000624173044 365318809 /nfs/dbraw/zinc/31/88/09/365318809.db2.gz ZKMZRSUHAUYSKW-VHSXEESVSA-N 1 0 319.268 2.492 10 0 DEAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624238463 365347366 /nfs/dbraw/zinc/34/73/66/365347366.db2.gz RWBQBZWUMGMRKI-HONMWMINSA-N 1 0 314.223 2.120 10 0 DEAERO C[C@H](NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)[C@@H]1COc2ccccc21 ZINC000091709078 193095898 /nfs/dbraw/zinc/09/58/98/193095898.db2.gz MQIPIUUZPNBYBS-FQLMCAECSA-N 1 0 317.433 2.333 10 0 DEAERO CC[NH2+][C@H](c1ccn(CC(=O)NCC(F)(F)F)c1)C(C)C ZINC000091827950 193112729 /nfs/dbraw/zinc/11/27/29/193112729.db2.gz RFAQJUSFXWQBOY-ZDUSSCGKSA-N 1 0 305.344 2.473 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1NC1CCC([NH3+])CC1 ZINC000091843564 193116284 /nfs/dbraw/zinc/11/62/84/193116284.db2.gz YPRHNROBRVYBPQ-UHFFFAOYSA-N 1 0 301.312 2.486 10 0 DEAERO CCc1ccc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)s1 ZINC000091845926 193117345 /nfs/dbraw/zinc/11/73/45/193117345.db2.gz GHIAIIKVFMLOTE-UHFFFAOYSA-N 1 0 302.465 2.201 10 0 DEAERO CCCC1CCC(C[NH3+])([C@]2(O)CCC[C@H]2S(C)(=O)=O)CC1 ZINC000091922119 193127228 /nfs/dbraw/zinc/12/72/28/193127228.db2.gz GRAHJYNZUMTMDO-KNIAUWFNSA-N 1 0 317.495 2.250 10 0 DEAERO Cc1cccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1C ZINC000092044834 193146791 /nfs/dbraw/zinc/14/67/91/193146791.db2.gz FUWWENODKBSQOU-KRWDZBQOSA-N 1 0 322.474 2.303 10 0 DEAERO C=Cn1cc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)cn1 ZINC000449761477 241048697 /nfs/dbraw/zinc/04/86/97/241048697.db2.gz XXOXHXXWCOOBQE-UHFFFAOYSA-N 1 0 302.344 2.442 10 0 DEAERO O=C(NC1(c2ccccc2)CCCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188562944 283913095 /nfs/dbraw/zinc/91/30/95/283913095.db2.gz YZJJVYHANBWFQY-UHFFFAOYSA-N 1 0 310.401 2.255 10 0 DEAERO CC1CCN(C(=[NH2+])NCc2c(C(F)(F)F)cnn2C)CC1 ZINC000630387266 367626610 /nfs/dbraw/zinc/62/66/10/367626610.db2.gz LNHINGSBWVSZLM-UHFFFAOYSA-N 1 0 303.332 2.195 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000271763851 209195021 /nfs/dbraw/zinc/19/50/21/209195021.db2.gz FGJGHWBLMOZILA-KGLIPLIRSA-N 1 0 308.813 2.161 10 0 DEAERO CCOc1ccccc1CN1CC[N@H+](CC[C@@H](C)O)[C@H](C)C1 ZINC000450907598 242380094 /nfs/dbraw/zinc/38/00/94/242380094.db2.gz KXLDGVNTXNUGIN-HZPDHXFCSA-N 1 0 306.450 2.362 10 0 DEAERO CC[NH2+]Cc1ccc(CS(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc1 ZINC000092113493 193161682 /nfs/dbraw/zinc/16/16/82/193161682.db2.gz NCELORPELSRBLJ-ZIAGYGMSSA-N 1 0 310.463 2.214 10 0 DEAERO CCCCN(C)S(=O)(=O)c1ccc(C[NH2+]CC)cc1F ZINC000092115512 193163176 /nfs/dbraw/zinc/16/31/76/193163176.db2.gz NUFUQTRWLOBKIS-UHFFFAOYSA-N 1 0 302.415 2.356 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]2C)c(F)c1 ZINC000092116071 193164607 /nfs/dbraw/zinc/16/46/07/193164607.db2.gz LHDXKYQOLRIVLY-MFKMUULPSA-N 1 0 300.399 2.010 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH2+]C3CC3)cc2F)C1 ZINC000092115863 193164704 /nfs/dbraw/zinc/16/47/04/193164704.db2.gz PHXNGFYBSBUSAH-LLVKDONJSA-N 1 0 312.410 2.108 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])C(C)(C)OC)c1Br ZINC000092138732 193167859 /nfs/dbraw/zinc/16/78/59/193167859.db2.gz SYOMQVIEBVJIHO-JTQLQIEISA-N 1 0 304.232 2.040 10 0 DEAERO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000528760184 284003028 /nfs/dbraw/zinc/00/30/28/284003028.db2.gz WODNKDHWNTWBQD-XPZRHXQJSA-N 1 0 304.390 2.229 10 0 DEAERO c1c(CNc2ccc3c[nH+]ccc3c2)nnn1C[C@@H]1CCOC1 ZINC000631154645 368049016 /nfs/dbraw/zinc/04/90/16/368049016.db2.gz FMEBIJMGTRVGJR-ZDUSSCGKSA-N 1 0 309.373 2.475 10 0 DEAERO c1cc(OCCN2CCOCC2)ccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000631179105 368064527 /nfs/dbraw/zinc/06/45/27/368064527.db2.gz ZAKQYHLGISZERH-BWTSREIZSA-N 1 0 316.445 2.286 10 0 DEAERO c1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)n(CC2CCC2)n1 ZINC000631105916 368019200 /nfs/dbraw/zinc/01/92/00/368019200.db2.gz PGKHQPXCMPWSSP-DOTOQJQBSA-N 1 0 305.422 2.111 10 0 DEAERO Oc1cccc(C[NH2+]CC[C@@H](O)C(F)F)c1Br ZINC000631216123 368085260 /nfs/dbraw/zinc/08/52/60/368085260.db2.gz KGACUVFYZXQVKH-SECBINFHSA-N 1 0 310.138 2.260 10 0 DEAERO [NH3+][C@H]1C=C[C@@H](C(=O)NCc2cc(F)ccc2Br)C1 ZINC000092205795 193172949 /nfs/dbraw/zinc/17/29/49/193172949.db2.gz VQIPGQFHZNOFHX-KCJUWKMLSA-N 1 0 313.170 2.108 10 0 DEAERO CSc1ccc(-c2nc([C@@H](C)N3CC[NH2+]CC3)no2)cc1 ZINC000092234176 193177471 /nfs/dbraw/zinc/17/74/71/193177471.db2.gz OBGANIMOGJLTFP-LLVKDONJSA-N 1 0 304.419 2.425 10 0 DEAERO c1cc(C[NH2+]C2CCN(c3cnccn3)CC2)c2c(c1)COCC2 ZINC000631729628 368362351 /nfs/dbraw/zinc/36/23/51/368362351.db2.gz QEQHVHFWHCKEAN-UHFFFAOYSA-N 1 0 324.428 2.308 10 0 DEAERO O=C([C@H]1CCCc2n[nH]cc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000134304303 296117400 /nfs/dbraw/zinc/11/74/00/296117400.db2.gz BJXBZDPCLZNPNM-CABCVRRESA-N 1 0 316.449 2.307 10 0 DEAERO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCO3)C1(C)C ZINC000451488785 243022220 /nfs/dbraw/zinc/02/22/20/243022220.db2.gz NAUXMJBDRYHZPB-PBHICJAKSA-N 1 0 320.389 2.147 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCCCC[C@@H]([NH3+])C1 ZINC000631832356 368410401 /nfs/dbraw/zinc/41/04/01/368410401.db2.gz DIVJUXDFWLOUDR-UKRRQHHQSA-N 1 0 317.433 2.420 10 0 DEAERO CC(=O)c1ccccc1OCCN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885961 368441339 /nfs/dbraw/zinc/44/13/39/368441339.db2.gz FNGPTPTWLUPKOV-RDJZCZTQSA-N 1 0 302.418 2.342 10 0 DEAERO Brc1cnccc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888997 368445805 /nfs/dbraw/zinc/44/58/05/368445805.db2.gz BATKFRNEJYFVBK-RISCZKNCSA-N 1 0 310.239 2.418 10 0 DEAERO C[C@@H](C(N)=S)[NH+]1CCN(CCSc2ccccc2)CC1 ZINC000092261132 193182218 /nfs/dbraw/zinc/18/22/18/193182218.db2.gz SQUFDSPAKDELBD-ZDUSSCGKSA-N 1 0 309.504 2.071 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000631977998 368478017 /nfs/dbraw/zinc/47/80/17/368478017.db2.gz YSTPUZPCCCRAEP-GFCCVEGCSA-N 1 0 316.492 2.421 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631992279 368483697 /nfs/dbraw/zinc/48/36/97/368483697.db2.gz AZOTVSMOMUXABA-STQMWFEESA-N 1 0 314.476 2.128 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)s1 ZINC000631992278 368484336 /nfs/dbraw/zinc/48/43/36/368484336.db2.gz AZOTVSMOMUXABA-QWHCGFSZSA-N 1 0 314.476 2.128 10 0 DEAERO Cc1ccc([C@H]2CCCC[N@@H+]2CCCOC(=O)NC(N)=O)o1 ZINC000093175957 193211663 /nfs/dbraw/zinc/21/16/63/193211663.db2.gz MHPXEZPJTWWUGI-GFCCVEGCSA-N 1 0 309.366 2.310 10 0 DEAERO CCCCN(Cc1ccccc1Cl)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262511844 203315719 /nfs/dbraw/zinc/31/57/19/203315719.db2.gz MHEVSACYEOEUKB-ZFWWWQNUSA-N 1 0 310.825 2.192 10 0 DEAERO CCS(=O)(=O)CCCC1(c2ccc(Cl)cc2)C[NH2+]C1 ZINC000093196213 193214946 /nfs/dbraw/zinc/21/49/46/193214946.db2.gz KNYRTQKRXHSTNR-UHFFFAOYSA-N 1 0 301.839 2.396 10 0 DEAERO CS(=O)(=O)Nc1ccc(Cl)c(N[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000093206573 193216489 /nfs/dbraw/zinc/21/64/89/193216489.db2.gz JGFCXRVNIVWDTN-IUCAKERBSA-N 1 0 303.815 2.003 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1O[C@H]1CCC[C@H]([NH3+])C1 ZINC000093220074 193217967 /nfs/dbraw/zinc/21/79/67/193217967.db2.gz ZBZWBZMRQVWDTC-UWVGGRQHSA-N 1 0 302.296 2.453 10 0 DEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000093264172 193221834 /nfs/dbraw/zinc/22/18/34/193221834.db2.gz BKBIGNORIIOWKU-NSHDSACASA-N 1 0 304.481 2.306 10 0 DEAERO C[NH2+][C@H](Cc1cc(F)ccc1Br)C(OC)OC ZINC000093304834 193227417 /nfs/dbraw/zinc/22/74/17/193227417.db2.gz JJWLVFLLCQETON-LLVKDONJSA-N 1 0 306.175 2.338 10 0 DEAERO COCc1cc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)ncn1 ZINC000093314295 193228636 /nfs/dbraw/zinc/22/86/36/193228636.db2.gz AASIGNFWJOFCTN-CYBMUJFWSA-N 1 0 323.441 2.111 10 0 DEAERO CC[NH2+]Cc1c[nH]nc1-c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000093295585 193226366 /nfs/dbraw/zinc/22/63/66/193226366.db2.gz KXKFXXDBMAMBLA-UHFFFAOYSA-N 1 0 315.345 2.183 10 0 DEAERO C[NH+]1CCC(NC(=O)c2sc3cccc(F)c3c2N)CC1 ZINC000093411968 193246081 /nfs/dbraw/zinc/24/60/81/193246081.db2.gz OTTBIRFIKRIDOT-UHFFFAOYSA-N 1 0 307.394 2.447 10 0 DEAERO NC1=[NH+]C[C@]2(CCCOC2)N1c1cccc(Br)c1 ZINC000093387764 193241858 /nfs/dbraw/zinc/24/18/58/193241858.db2.gz QNKYPBVPVLEHRA-ZDUSSCGKSA-N 1 0 310.195 2.133 10 0 DEAERO CC[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596071 193271044 /nfs/dbraw/zinc/27/10/44/193271044.db2.gz ATNXNSYUBZAUKN-WCQYABFASA-N 1 0 310.360 2.494 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCn1cc(Cl)c(C)n1 ZINC000093616030 193275812 /nfs/dbraw/zinc/27/58/12/193275812.db2.gz RZBCYTFCPUPKFB-SWLSCSKDSA-N 1 0 312.845 2.259 10 0 DEAERO NC(=O)[C@]1([NH3+])CCC[C@@H]1CCSc1cc(F)ccc1F ZINC000093629595 193276783 /nfs/dbraw/zinc/27/67/83/193276783.db2.gz CEOKZPRFLFASDL-OTYXRUKQSA-N 1 0 300.374 2.430 10 0 DEAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSC1CCOCC1 ZINC000093630623 193277435 /nfs/dbraw/zinc/27/74/35/193277435.db2.gz SGNJANFGPXKOME-BBRMVZONSA-N 1 0 314.495 2.311 10 0 DEAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccs1 ZINC000093699810 193293849 /nfs/dbraw/zinc/29/38/49/193293849.db2.gz POYUPKWBVBHUDM-QWHCGFSZSA-N 1 0 316.492 2.460 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCC[C@@H](C)C1 ZINC000093700177 193293864 /nfs/dbraw/zinc/29/38/64/193293864.db2.gz NNZQLVUEGVQWDE-QKPAOTATSA-N 1 0 316.511 2.462 10 0 DEAERO CC[NH2+][C@H](CCC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700128 193294264 /nfs/dbraw/zinc/29/42/64/193294264.db2.gz WKFZZCHUKRCARC-HUUCEWRRSA-N 1 0 304.500 2.462 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccs1 ZINC000093699805 193294340 /nfs/dbraw/zinc/29/43/40/193294340.db2.gz DOSPBDYYGVASHS-RYUDHWBXSA-N 1 0 302.465 2.070 10 0 DEAERO CCC[NH2+]C[C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093701399 193295003 /nfs/dbraw/zinc/29/50/03/193295003.db2.gz GQEZTTJCQLAWID-LSDHHAIUSA-N 1 0 304.500 2.320 10 0 DEAERO C[C@]1(c2nc3cc(F)c(Br)cc3[nH]2)COC[C@H]1[NH3+] ZINC000093728891 193299038 /nfs/dbraw/zinc/29/90/38/193299038.db2.gz GXPBDZPXMYQXRM-PWSUYJOCSA-N 1 0 314.158 2.080 10 0 DEAERO C[NH2+][C@]1(C(=O)[O-])CCC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093756689 193300912 /nfs/dbraw/zinc/30/09/12/193300912.db2.gz YVBWDUQUQAJBID-DGCLKSJQSA-N 1 0 308.344 2.246 10 0 DEAERO C[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093756690 193301356 /nfs/dbraw/zinc/30/13/56/193301356.db2.gz YVBWDUQUQAJBID-YPMHNXCESA-N 1 0 308.344 2.246 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2nnc(C)s2)C1 ZINC000093778390 193305511 /nfs/dbraw/zinc/30/55/11/193305511.db2.gz YSAUQEUHGBBYQZ-ZWNOBZJWSA-N 1 0 314.480 2.105 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2nnc(C)s2)C1 ZINC000093778391 193306140 /nfs/dbraw/zinc/30/61/40/193306140.db2.gz YSAUQEUHGBBYQZ-MFKMUULPSA-N 1 0 314.480 2.105 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CCc2nnc(C3CCCC3)o2)C1 ZINC000093995846 193337269 /nfs/dbraw/zinc/33/72/69/193337269.db2.gz NFNUVOKZALPNBJ-UONOGXRCSA-N 1 0 320.437 2.259 10 0 DEAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)c1cc(F)ccc1F ZINC000094006521 193338224 /nfs/dbraw/zinc/33/82/24/193338224.db2.gz YMDXZCHJOZYUFQ-UHFFFAOYSA-N 1 0 318.389 2.005 10 0 DEAERO CCc1ccc(S(=O)(=O)NC2C(C)(C)C([NH3+])C2(C)C)cc1 ZINC000094006448 193338527 /nfs/dbraw/zinc/33/85/27/193338527.db2.gz DTHIDUMPRFAWQX-UHFFFAOYSA-N 1 0 310.463 2.289 10 0 DEAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)c1ccc(F)cc1F ZINC000094006523 193338600 /nfs/dbraw/zinc/33/86/00/193338600.db2.gz KSOOGDIEBPWFFA-UHFFFAOYSA-N 1 0 318.389 2.005 10 0 DEAERO CCC[NH2+][C@]1(C(=O)[O-])CC[C@@H]([N@H+](CCOC)[C@@H](C)CC)C1 ZINC000093827664 193313136 /nfs/dbraw/zinc/31/31/36/193313136.db2.gz YYCGAZNTZHUVDR-SQWLQELKSA-N 1 0 300.443 2.109 10 0 DEAERO CCOC[C@H]1CC[N@H+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000093838853 193314602 /nfs/dbraw/zinc/31/46/02/193314602.db2.gz ARYAURAUOUNITE-ZDUSSCGKSA-N 1 0 307.390 2.325 10 0 DEAERO CC[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2nc3ccccc3o2)C1 ZINC000093850872 193319166 /nfs/dbraw/zinc/31/91/66/193319166.db2.gz ARWSKPXZFKUNCV-BMIGLBTASA-N 1 0 305.403 2.306 10 0 DEAERO COCC[NH2+]CC[C@](C)(O)Cc1nc(C(C)(C)C)cs1 ZINC000094258289 193355623 /nfs/dbraw/zinc/35/56/23/193355623.db2.gz RCPRNFLMUASJQY-HNNXBMFYSA-N 1 0 300.468 2.360 10 0 DEAERO CC1(C)CCC[C@H](CN2CCN(CC(F)(F)F)CC2)[C@H]1[NH3+] ZINC000094288315 193355875 /nfs/dbraw/zinc/35/58/75/193355875.db2.gz HKWSWHBMOWHZNA-CHWSQXEVSA-N 1 0 307.404 2.320 10 0 DEAERO CCC[NH2+][C@@H](C)c1c(F)cccc1N(C)CCS(C)(=O)=O ZINC000094298835 193357562 /nfs/dbraw/zinc/35/75/62/193357562.db2.gz XHWUKCKLOYTCEK-LBPRGKRZSA-N 1 0 316.442 2.367 10 0 DEAERO CC(C)C[NH2+]Cc1cc(F)ccc1N(C)CCS(C)(=O)=O ZINC000094299145 193357996 /nfs/dbraw/zinc/35/79/96/193357996.db2.gz DVZSVGUEDLGSFU-UHFFFAOYSA-N 1 0 316.442 2.052 10 0 DEAERO CC[C@H]([NH3+])Cc1c(Cl)cccc1N(C)CCS(C)(=O)=O ZINC000094301359 193358222 /nfs/dbraw/zinc/35/82/22/193358222.db2.gz IPZGJSGWRIVFBJ-NSHDSACASA-N 1 0 318.870 2.101 10 0 DEAERO C[N@@H+]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2C(N)=S)C1 ZINC000094336013 193360404 /nfs/dbraw/zinc/36/04/04/193360404.db2.gz VPCKYFVOZNKTNQ-QMMMGPOBSA-N 1 0 318.368 2.241 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(F)c(OCC(=O)N(C)CC)c(F)c1 ZINC000094350445 193363332 /nfs/dbraw/zinc/36/33/32/193363332.db2.gz NNIGGKZKMXHBFS-LLVKDONJSA-N 1 0 300.349 2.102 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(OCCC(=O)NCC)c(F)c1 ZINC000094347129 193363729 /nfs/dbraw/zinc/36/37/29/193363729.db2.gz SUZWSVMMQNWILQ-UHFFFAOYSA-N 1 0 300.349 2.369 10 0 DEAERO CS(=O)(=O)Nc1ccc(Cl)c(NC2CCC([NH3+])CC2)c1 ZINC000094079483 193343846 /nfs/dbraw/zinc/34/38/46/193343846.db2.gz JTDMIQRPLIVVMJ-UHFFFAOYSA-N 1 0 317.842 2.393 10 0 DEAERO C[NH2+][C@H](c1ccc(F)c(Br)c1)[C@@H]1COCCO1 ZINC000094096375 193344763 /nfs/dbraw/zinc/34/47/63/193344763.db2.gz NPZDHTVEPPURPK-NWDGAFQWSA-N 1 0 304.159 2.264 10 0 DEAERO C[NH2+][C@@H](c1ccc(F)c(Br)c1)[C@H]1COCCO1 ZINC000094096377 193344963 /nfs/dbraw/zinc/34/49/63/193344963.db2.gz NPZDHTVEPPURPK-NEPJUHHUSA-N 1 0 304.159 2.264 10 0 DEAERO C[NH2+][C@H](c1cc(Br)ccc1F)[C@@H]1CN(C)CCO1 ZINC000094109071 193345354 /nfs/dbraw/zinc/34/53/54/193345354.db2.gz ZNNFNEGSVKNEFB-QWHCGFSZSA-N 1 0 317.202 2.179 10 0 DEAERO CCC([NH3+])(CC)c1nc(-c2ccc(S(C)(=O)=O)cc2)c[nH]1 ZINC000094246091 193354468 /nfs/dbraw/zinc/35/44/68/193354468.db2.gz IJBNXYJPXFQSCW-UHFFFAOYSA-N 1 0 307.419 2.454 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638882 193387754 /nfs/dbraw/zinc/38/77/54/193387754.db2.gz UQXANVGGYBPPOF-KBPBESRZSA-N 1 0 304.500 2.039 10 0 DEAERO Cc1ccc(O[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(CC[NH3+])c1 ZINC000094643245 193389126 /nfs/dbraw/zinc/38/91/26/193389126.db2.gz OWWCHPMNNYCUDA-HUUCEWRRSA-N 1 0 311.447 2.231 10 0 DEAERO CCC[NH2+][C@H](c1ccn(C)n1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642594 193389214 /nfs/dbraw/zinc/38/92/14/193389214.db2.gz PKEACHOWXMYBHN-YDHLFZDLSA-N 1 0 313.467 2.064 10 0 DEAERO CC[C@H]([NH3+])c1c(C)nn([C@H]2CCC[C@H](S(C)(=O)=O)C2)c1C ZINC000094643963 193389414 /nfs/dbraw/zinc/38/94/14/193389414.db2.gz NDEDJLQQHHSTJY-IHRRRGAJSA-N 1 0 313.467 2.438 10 0 DEAERO COCC[NH2+]CC/C=C(/C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094645284 193389820 /nfs/dbraw/zinc/38/98/20/193389820.db2.gz IEJADVYYWRSLJU-AZNSZHPSSA-N 1 0 303.468 2.162 10 0 DEAERO COc1cc(Br)c([C@H](O)[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000094649989 193390643 /nfs/dbraw/zinc/39/06/43/193390643.db2.gz DLCWPBSKHNCVMW-GXFFZTMASA-N 1 0 316.195 2.252 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000094670425 193390728 /nfs/dbraw/zinc/39/07/28/193390728.db2.gz FGYDPMAZCUCEQA-OIBJUYFYSA-N 1 0 319.586 2.015 10 0 DEAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000094697863 193391460 /nfs/dbraw/zinc/39/14/60/193391460.db2.gz BXTRZPFXGQSTQE-JTQLQIEISA-N 1 0 307.419 2.290 10 0 DEAERO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094368583 193366723 /nfs/dbraw/zinc/36/67/23/193366723.db2.gz OLMJMVYXRZTGTI-KBPBESRZSA-N 1 0 314.495 2.326 10 0 DEAERO NC(=S)C[N@H+](C1CCCC1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094376148 193367212 /nfs/dbraw/zinc/36/72/12/193367212.db2.gz AQKWFGSTTFUFJS-CQSZACIVSA-N 1 0 312.479 2.245 10 0 DEAERO Cc1ccc(O[C@@H]2CCO[C@@]3(CCSC3)C2)c(CC[NH3+])n1 ZINC000094408766 193367864 /nfs/dbraw/zinc/36/78/64/193367864.db2.gz MAEWWYODMRPJND-CJNGLKHVSA-N 1 0 308.447 2.325 10 0 DEAERO CCOC(=O)CC[N@H+](C)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094410702 193368343 /nfs/dbraw/zinc/36/83/43/193368343.db2.gz WGGLIIOLUFXKIX-CYBMUJFWSA-N 1 0 301.452 2.316 10 0 DEAERO NC(=S)c1ccc(F)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000094439533 193369349 /nfs/dbraw/zinc/36/93/49/193369349.db2.gz UDFFPMZYAAOIBQ-CQSZACIVSA-N 1 0 307.438 2.130 10 0 DEAERO Cc1cc(C)c(C(N)=S)c(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000094440027 193369658 /nfs/dbraw/zinc/36/96/58/193369658.db2.gz JMDNOUIQHWNKRK-CYBMUJFWSA-N 1 0 304.463 2.007 10 0 DEAERO CN(CC[NH+]1CCCC1)c1nc(Br)cn2ccnc12 ZINC000094491006 193373747 /nfs/dbraw/zinc/37/37/47/193373747.db2.gz BGGBPJAXCPDVCJ-UHFFFAOYSA-N 1 0 324.226 2.024 10 0 DEAERO CCCn1ncnc1C[C@H]([NH2+]CC)[C@@H]1CSCCS1 ZINC000094498211 193374341 /nfs/dbraw/zinc/37/43/41/193374341.db2.gz DYUBFHSRELAZFM-RYUDHWBXSA-N 1 0 300.497 2.057 10 0 DEAERO CCn1c(C[C@H]([NH2+]C)[C@@H]2CSCCO2)nc2ccccc21 ZINC000094503261 193374619 /nfs/dbraw/zinc/37/46/19/193374619.db2.gz XLJCNSMTMLCTEQ-ZFWWWQNUSA-N 1 0 305.447 2.319 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)O1 ZINC000094571690 193381941 /nfs/dbraw/zinc/38/19/41/193381941.db2.gz GTZWNBCOELANIU-LDYMZIIASA-N 1 0 306.259 2.289 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)c1cccc(C(F)(F)F)c1N ZINC000094599011 193382928 /nfs/dbraw/zinc/38/29/28/193382928.db2.gz VOBXVADDCYSZCP-UHFFFAOYSA-N 1 0 303.328 2.358 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNc1nc2ccc(Br)cn2n1 ZINC000094602683 193384145 /nfs/dbraw/zinc/38/41/45/193384145.db2.gz JCCZXDUPNQUKHX-LLVKDONJSA-N 1 0 324.226 2.388 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1C(N)=S)[N@@H+]1CCC(C)(C)C1 ZINC000094803276 193399049 /nfs/dbraw/zinc/39/90/49/193399049.db2.gz KXVGEBPSFBGRQA-NSHDSACASA-N 1 0 305.447 2.380 10 0 DEAERO COC1([C@H](C)[NH2+][C@H](CO)Cc2cccc(C)c2)CCOCC1 ZINC000453208215 244998794 /nfs/dbraw/zinc/99/87/94/244998794.db2.gz BLCIVLUKORRAED-RDJZCZTQSA-N 1 0 307.434 2.072 10 0 DEAERO O=C(c1n[nH]c2c1CCCC2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107667205 296158632 /nfs/dbraw/zinc/15/86/32/296158632.db2.gz OSIXKYPTDJVRRK-AWEZNQCLSA-N 1 0 316.449 2.379 10 0 DEAERO Cc1nn(C)c(C)c1C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000282629473 217137224 /nfs/dbraw/zinc/13/72/24/217137224.db2.gz GEGUEDXDYYERBJ-NSHDSACASA-N 1 0 310.442 2.382 10 0 DEAERO COCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000013722418 181883756 /nfs/dbraw/zinc/88/37/56/181883756.db2.gz KBYRSMRKIUELPZ-UHFFFAOYSA-N 1 0 308.422 2.106 10 0 DEAERO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246521475 284331653 /nfs/dbraw/zinc/33/16/53/284331653.db2.gz FTGPSRFRDBKYOS-BJJXKVORSA-N 1 0 313.401 2.431 10 0 DEAERO CC(C)(C)c1csc(C[C@H]([NH3+])C[C@@H]2CCS(=O)(=O)C2)n1 ZINC000097314856 193706850 /nfs/dbraw/zinc/70/68/50/193706850.db2.gz XIZRSSRXXVKYCD-WDEREUQCSA-N 1 0 316.492 2.135 10 0 DEAERO CCC[NH2+][C@H](CCSC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000097309305 193706978 /nfs/dbraw/zinc/70/69/78/193706978.db2.gz YZOUUTKNTGEZAL-UONOGXRCSA-N 1 0 322.540 2.169 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000266230630 205202615 /nfs/dbraw/zinc/20/26/15/205202615.db2.gz UIBCFUCITYBEOB-ZDUSSCGKSA-N 1 0 320.824 2.176 10 0 DEAERO C[C@H](CCO)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000097441452 193720875 /nfs/dbraw/zinc/72/08/75/193720875.db2.gz QSVJRBOEMHBXPQ-MNOVXSKESA-N 1 0 322.232 2.341 10 0 DEAERO [NH3+]C[C@H]1CO[C@@H](c2ccc(Br)c3cccnc32)O1 ZINC000160556088 197421895 /nfs/dbraw/zinc/42/18/95/197421895.db2.gz HFLMWSQMFVKSGU-ISVAXAHUSA-N 1 0 309.163 2.370 10 0 DEAERO O=S(=O)(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000019995091 182175245 /nfs/dbraw/zinc/17/52/45/182175245.db2.gz XGPWEFYLXJKVBV-LLVKDONJSA-N 1 0 324.324 2.079 10 0 DEAERO Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C[NH3+])c2)cc1 ZINC000020189127 182195487 /nfs/dbraw/zinc/19/54/87/182195487.db2.gz XNXLRVXFXUFHOJ-UHFFFAOYSA-N 1 0 308.378 2.071 10 0 DEAERO NNc1cc(Nc2cc(C(F)(F)F)ccc2F)nc(N)[nH+]1 ZINC000160151980 197389780 /nfs/dbraw/zinc/38/97/80/197389780.db2.gz KPLNKKCSRGUCFI-UHFFFAOYSA-N 1 0 302.235 2.246 10 0 DEAERO CC(C)OCC[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000160042038 197382214 /nfs/dbraw/zinc/38/22/14/197382214.db2.gz JMTJTWPRDRESRB-UHFFFAOYSA-N 1 0 313.199 2.006 10 0 DEAERO O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020434012 182216977 /nfs/dbraw/zinc/21/69/77/182216977.db2.gz RAUWLOXWBXFHFD-RRAGMBSWSA-N 1 0 309.580 2.308 10 0 DEAERO CC[NH+](CC)CCCNC(=O)c1ncsc1Br ZINC000288572562 220248645 /nfs/dbraw/zinc/24/86/45/220248645.db2.gz GKZVJTTWSYYCAG-UHFFFAOYSA-N 1 0 320.256 2.367 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1ccc(Br)c(F)c1 ZINC000159977589 197377979 /nfs/dbraw/zinc/37/79/79/197377979.db2.gz SEARGINSCHJENE-NSHDSACASA-N 1 0 319.174 2.281 10 0 DEAERO COc1cc(Br)cc(C[NH2+]C(C)(C)CO)c1OC ZINC000020933640 182255086 /nfs/dbraw/zinc/25/50/86/182255086.db2.gz YNAYUAOJMDAKJE-UHFFFAOYSA-N 1 0 318.211 2.327 10 0 DEAERO CCO[C@@H]1CCC[C@H]1NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000454655724 246036823 /nfs/dbraw/zinc/03/68/23/246036823.db2.gz PEALVQQLVWJBMQ-HZPDHXFCSA-N 1 0 311.470 2.365 10 0 DEAERO COC[C@@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458231621 248221166 /nfs/dbraw/zinc/22/11/66/248221166.db2.gz HGPHUPJSWKXAEE-NVXWUHKLSA-N 1 0 319.449 2.405 10 0 DEAERO CCN(C)C(=O)COc1c(Cl)cc(Cl)cc1CC[NH3+] ZINC000037722156 182920391 /nfs/dbraw/zinc/92/03/91/182920391.db2.gz QEERUEMBRLXRAN-UHFFFAOYSA-N 1 0 305.205 2.352 10 0 DEAERO CCCn1cc(Br)cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000038089369 182988128 /nfs/dbraw/zinc/98/81/28/182988128.db2.gz PAOJKQQRERCSMG-JTQLQIEISA-N 1 0 316.243 2.341 10 0 DEAERO COc1ccc([C@H]([NH2+]CC(C)C)C(N)=O)cc1Br ZINC000038052296 182982709 /nfs/dbraw/zinc/98/27/09/182982709.db2.gz RBLINXNPBOGIKU-LBPRGKRZSA-N 1 0 315.211 2.230 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCO1)c1ccc(OC)cc1 ZINC000040614860 183108593 /nfs/dbraw/zinc/10/85/93/183108593.db2.gz VKPGRWIDFKDRPM-IAGOWNOFSA-N 1 0 320.433 2.373 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000040630124 183110863 /nfs/dbraw/zinc/11/08/63/183110863.db2.gz RFYJZWZTFPZQRK-JQWIXIFHSA-N 1 0 313.195 2.073 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@@H]([NH3+])C(C)C)CCCC2 ZINC000040856020 183143339 /nfs/dbraw/zinc/14/33/39/183143339.db2.gz QSXMQVAIQROHDC-LBPRGKRZSA-N 1 0 310.419 2.335 10 0 DEAERO COc1cc(CN2CCC[C@H]([NH3+])C2)cc(Br)c1O ZINC000041027548 183157343 /nfs/dbraw/zinc/15/73/43/183157343.db2.gz JEJAUZSISJQWEZ-JTQLQIEISA-N 1 0 315.211 2.086 10 0 DEAERO O=C(NCc1cc(Br)ccc1F)C1CC[NH2+]CC1 ZINC000041069507 183162604 /nfs/dbraw/zinc/16/26/04/183162604.db2.gz DGOCXMPOLMTBSV-UHFFFAOYSA-N 1 0 315.186 2.204 10 0 DEAERO CCOC(=O)COC[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000041071903 183163369 /nfs/dbraw/zinc/16/33/69/183163369.db2.gz MTTWKAKRNYSRNU-LLVKDONJSA-N 1 0 307.268 2.165 10 0 DEAERO CCC([NH3+])(CC)c1noc(-c2cccc(S(C)(=O)=O)c2)n1 ZINC000041151767 183178808 /nfs/dbraw/zinc/17/88/08/183178808.db2.gz NGIKAJJKWUYSHH-UHFFFAOYSA-N 1 0 309.391 2.114 10 0 DEAERO C[NH+](C)CCC(=O)N[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000041536433 183199797 /nfs/dbraw/zinc/19/97/97/183199797.db2.gz PNMXBGZHFLBYPE-QGZVFWFLSA-N 1 0 301.365 2.378 10 0 DEAERO CC(C)[C@@H](CNC(=O)c1cncc(Br)c1)[NH+](C)C ZINC000041935545 183225795 /nfs/dbraw/zinc/22/57/95/183225795.db2.gz MSUQMWIJETZORE-GFCCVEGCSA-N 1 0 314.227 2.160 10 0 DEAERO CC(C)[C@H](CNC(=O)c1cncc(Br)c1)[NH+](C)C ZINC000041935547 183225905 /nfs/dbraw/zinc/22/59/05/183225905.db2.gz MSUQMWIJETZORE-LBPRGKRZSA-N 1 0 314.227 2.160 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cccc(SC)c1 ZINC000041604192 183209341 /nfs/dbraw/zinc/20/93/41/183209341.db2.gz WEJUQEQFWVWELJ-LBPRGKRZSA-N 1 0 323.462 2.194 10 0 DEAERO O[C@H](C[NH2+]CCc1ccc(Cl)cc1)COC[C@H]1CCCO1 ZINC000042258307 183247276 /nfs/dbraw/zinc/24/72/76/183247276.db2.gz SXUDDNDAMNTEQN-HZPDHXFCSA-N 1 0 313.825 2.029 10 0 DEAERO [NH3+]C1(c2nc3c(s2)CS(=O)(=O)CC3)CCCCCC1 ZINC000042332508 183255057 /nfs/dbraw/zinc/25/50/57/183255057.db2.gz RJDHGBAAYFQTFQ-UHFFFAOYSA-N 1 0 300.449 2.122 10 0 DEAERO COC(=O)CCCOc1c(Br)cccc1C[NH3+] ZINC000042411417 183265444 /nfs/dbraw/zinc/26/54/44/183265444.db2.gz YVGVVRYBKGXYDC-UHFFFAOYSA-N 1 0 302.168 2.240 10 0 DEAERO CC[NH2+]Cc1cccc(Br)c1O[C@H](C)C(=O)NC ZINC000042411648 183265991 /nfs/dbraw/zinc/26/59/91/183265991.db2.gz JOYCFVZQBAUUQH-SECBINFHSA-N 1 0 315.211 2.072 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](CN(C)Cc2ccccc2Br)C1 ZINC000042441299 183269976 /nfs/dbraw/zinc/26/99/76/183269976.db2.gz QBMVTXMHQWYLSE-OLZOCXBDSA-N 1 0 313.239 2.258 10 0 DEAERO CCNC(=O)CN(CC)c1ccc(C(F)(F)F)cc1C[NH3+] ZINC000042367111 183260003 /nfs/dbraw/zinc/26/00/03/183260003.db2.gz AVZUTDMZYDQMTA-UHFFFAOYSA-N 1 0 303.328 2.127 10 0 DEAERO CC(C)[C@H](CNC(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000042551564 183284081 /nfs/dbraw/zinc/28/40/81/183284081.db2.gz XHOJLVVOIMZPRW-AWEZNQCLSA-N 1 0 304.390 2.266 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(C)cc1 ZINC000042944055 183320120 /nfs/dbraw/zinc/32/01/20/183320120.db2.gz LBDWHTMEFZUGLX-RISCZKNCSA-N 1 0 304.419 2.231 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCN(C(C)=O)CC1 ZINC000042944506 183320156 /nfs/dbraw/zinc/32/01/56/183320156.db2.gz ATNXCCLUKLXFPZ-HZPDHXFCSA-N 1 0 309.841 2.283 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000042951482 183320335 /nfs/dbraw/zinc/32/03/35/183320335.db2.gz AFACGGXLIPEBGU-MADCSZMMSA-N 1 0 310.810 2.186 10 0 DEAERO CCN([C@H](C)COC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000042782200 183308570 /nfs/dbraw/zinc/30/85/70/183308570.db2.gz JOAFPIVTTVGWBC-CHWSQXEVSA-N 1 0 314.451 2.013 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1sccc1C)N1CCC(CC(N)=O)CC1 ZINC000043248752 183347092 /nfs/dbraw/zinc/34/70/92/183347092.db2.gz MGTYBGLRYSDMCE-ZFWWWQNUSA-N 1 0 309.479 2.422 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCC(CC(N)=O)CC1 ZINC000043253806 183347937 /nfs/dbraw/zinc/34/79/37/183347937.db2.gz JGILHOOHGFCPBL-LKFCYVNXSA-N 1 0 315.870 2.377 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(C)CC(=O)N1CCCC1 ZINC000043253440 183348275 /nfs/dbraw/zinc/34/82/75/183348275.db2.gz WCGXNWCUWRRZIW-YGRLFVJLSA-N 1 0 315.870 2.344 10 0 DEAERO CCCNC(=O)CN(C)[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043253534 183348323 /nfs/dbraw/zinc/34/83/23/183348323.db2.gz VNDFMIUHZFVTCR-RNCFNFMXSA-N 1 0 303.859 2.248 10 0 DEAERO CC(C)CN(CC(N)=O)[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043254173 183348360 /nfs/dbraw/zinc/34/83/60/183348360.db2.gz WAGYRESECDJENC-RNCFNFMXSA-N 1 0 303.859 2.233 10 0 DEAERO C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300512 183352048 /nfs/dbraw/zinc/35/20/48/183352048.db2.gz UHZAGXBXDXEPGJ-PWSUYJOCSA-N 1 0 307.337 2.401 10 0 DEAERO C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300589 183352305 /nfs/dbraw/zinc/35/23/05/183352305.db2.gz SRQFIDCGFGIHCR-JQWIXIFHSA-N 1 0 318.236 2.144 10 0 DEAERO C[NH2+][C@H](c1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300630 183352705 /nfs/dbraw/zinc/35/27/05/183352705.db2.gz BNFHYUBZMDNYNK-SKDRFNHKSA-N 1 0 323.336 2.280 10 0 DEAERO Cc1c(F)cccc1NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000043322324 183355014 /nfs/dbraw/zinc/35/50/14/183355014.db2.gz NTQLCRHYEFJDMB-LBPRGKRZSA-N 1 0 300.399 2.408 10 0 DEAERO CC[NH+](CC)CCCNc1nc2c(cc1C(N)=S)CCC2 ZINC000043408343 183359529 /nfs/dbraw/zinc/35/95/29/183359529.db2.gz LWDGMFOEIFOYHV-UHFFFAOYSA-N 1 0 306.479 2.348 10 0 DEAERO CC(C)[C@H](C)NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000043066829 183333794 /nfs/dbraw/zinc/33/37/94/183333794.db2.gz NMWQUOMXHYVWHL-AWEZNQCLSA-N 1 0 307.438 2.471 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1O[C@@H](C)C(=O)OC ZINC000043641287 183376613 /nfs/dbraw/zinc/37/66/13/183376613.db2.gz ZKMHBFRSALTXHZ-QMMMGPOBSA-N 1 0 302.168 2.109 10 0 DEAERO Cc1cccc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1O ZINC000274056370 211312774 /nfs/dbraw/zinc/31/27/74/211312774.db2.gz REPGAUFWRFIZDZ-WCQYABFASA-N 1 0 301.346 2.286 10 0 DEAERO Cc1[nH+]c2ccccc2c(N2CC[C@@](O)(c3cn[nH]n3)C2)c1C ZINC000284618924 218103031 /nfs/dbraw/zinc/10/30/31/218103031.db2.gz SJAGTJLYVFOUBL-KRWDZBQOSA-N 1 0 309.373 2.068 10 0 DEAERO CC(=O)Nc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000104983860 194061718 /nfs/dbraw/zinc/06/17/18/194061718.db2.gz RJBACPWEMCFIOP-MRXNPFEDSA-N 1 0 316.405 2.347 10 0 DEAERO O=C(NCCc1cccc(F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105091536 194072307 /nfs/dbraw/zinc/07/23/07/194072307.db2.gz FTFZRIWKEJRNKW-INIZCTEOSA-N 1 0 305.397 2.248 10 0 DEAERO CC1CC[NH+](CCCNC(=O)c2nnc(Cl)s2)CC1 ZINC000159775474 197363327 /nfs/dbraw/zinc/36/33/27/197363327.db2.gz BQBZZPAAGUKTTG-UHFFFAOYSA-N 1 0 302.831 2.043 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(CCSc2ccccc2F)C[C@H]1C ZINC000105822295 194138991 /nfs/dbraw/zinc/13/89/91/194138991.db2.gz AKCMHXIJHCLFIP-ZIAGYGMSSA-N 1 0 312.454 2.305 10 0 DEAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805352 194133664 /nfs/dbraw/zinc/13/36/64/194133664.db2.gz MUQBKIZAFBITQJ-ZIAGYGMSSA-N 1 0 319.453 2.046 10 0 DEAERO CCCn1cc(CN2CCC[N@H+](Cc3cccnc3)CC2)cn1 ZINC000105870251 194151452 /nfs/dbraw/zinc/15/14/52/194151452.db2.gz YNBCVHVKSWYRLS-UHFFFAOYSA-N 1 0 313.449 2.396 10 0 DEAERO COc1ccc(OCC[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105882793 194155837 /nfs/dbraw/zinc/15/58/37/194155837.db2.gz IORPVULCQQZCTE-HNNXBMFYSA-N 1 0 316.405 2.078 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000105881474 194156139 /nfs/dbraw/zinc/15/61/39/194156139.db2.gz BTMWEFNVDUYESJ-NSHDSACASA-N 1 0 308.332 2.087 10 0 DEAERO Cc1cnn([C@@H]2CCC[N@H+](CCn3c(C)csc3=O)C2)c1 ZINC000105900461 194165146 /nfs/dbraw/zinc/16/51/46/194165146.db2.gz QLQBLPXAEPCITB-CQSZACIVSA-N 1 0 306.435 2.060 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)N2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000151407636 196676485 /nfs/dbraw/zinc/67/64/85/196676485.db2.gz FNJAWZGVDVPHAX-NVXWUHKLSA-N 1 0 323.481 2.461 10 0 DEAERO COCC[N@@H+]1CCN(Cc2cccc(OC(F)F)c2)C[C@H]1C ZINC000106107206 194186398 /nfs/dbraw/zinc/18/63/98/194186398.db2.gz CNEMOUMYCGXSBY-CYBMUJFWSA-N 1 0 314.376 2.441 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cccc(NC(C)=O)c1 ZINC000048567240 183665798 /nfs/dbraw/zinc/66/57/98/183665798.db2.gz ZVWWPSMAIXWWIU-CYBMUJFWSA-N 1 0 320.437 2.175 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cscc2Br)C1 ZINC000285316578 218378815 /nfs/dbraw/zinc/37/88/15/218378815.db2.gz MMRMJSORFYZLNS-QMMMGPOBSA-N 1 0 303.225 2.287 10 0 DEAERO c1nc(-c2ccncc2)sc1C[NH2+]CCOC[C@H]1CCCO1 ZINC000553473228 291743564 /nfs/dbraw/zinc/74/35/64/291743564.db2.gz DPWBYGVNLMRNGF-CQSZACIVSA-N 1 0 319.430 2.490 10 0 DEAERO O=C1[C@H]([NH+]2CCC(Cn3cccn3)CC2)CCN1c1ccccc1 ZINC000109329328 194258266 /nfs/dbraw/zinc/25/82/66/194258266.db2.gz CCBCFLRKFFDOJZ-GOSISDBHSA-N 1 0 324.428 2.401 10 0 DEAERO Cc1cc(F)ccc1C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000050576526 183789695 /nfs/dbraw/zinc/78/96/95/183789695.db2.gz RDVSGEBELBTYJL-UHFFFAOYSA-N 1 0 308.378 2.071 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000109436563 194263307 /nfs/dbraw/zinc/26/33/07/194263307.db2.gz ONSKYZZSVLGXBM-ZYHUDNBSSA-N 1 0 313.195 2.073 10 0 DEAERO NC(=S)C[NH+]1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000109442963 194263383 /nfs/dbraw/zinc/26/33/83/194263383.db2.gz VZPMRCMSTVRKCJ-UHFFFAOYSA-N 1 0 320.849 2.296 10 0 DEAERO CC[NH2+]CC1(CN2CCN(c3nccs3)CC2)CCCC1 ZINC000051212202 183820229 /nfs/dbraw/zinc/82/02/29/183820229.db2.gz PPGLQCCFUQLTPE-UHFFFAOYSA-N 1 0 308.495 2.435 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccccc2F)CC1 ZINC000109753548 194282873 /nfs/dbraw/zinc/28/28/73/194282873.db2.gz STNZIRGLEPVDLZ-KRWDZBQOSA-N 1 0 305.441 2.428 10 0 DEAERO O=S(=O)(c1ccccc1OCC[C@@H]1CCC[NH2+]C1)C(F)F ZINC000051918558 183842490 /nfs/dbraw/zinc/84/24/90/183842490.db2.gz PQLLJNIXVYDNLH-NSHDSACASA-N 1 0 319.373 2.451 10 0 DEAERO CC[N@@H+]1CCN(C2N=NC(=S)N2c2ccccc2)C[C@@H]1C ZINC000110732146 194354700 /nfs/dbraw/zinc/35/47/00/194354700.db2.gz JAWAOGWQOSEROR-LBPRGKRZSA-N 1 0 303.435 2.086 10 0 DEAERO C[C@H]1CN(c2nc(-c3ccccc3)c(CO)s2)CC[N@@H+]1C ZINC000110760464 194356680 /nfs/dbraw/zinc/35/66/80/194356680.db2.gz HCLURYRWWCAZAR-LBPRGKRZSA-N 1 0 303.431 2.443 10 0 DEAERO CN(CC1CCCC1)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000110846597 194362820 /nfs/dbraw/zinc/36/28/20/194362820.db2.gz DNPAJPAZUOMRMN-UHFFFAOYSA-N 1 0 302.465 2.060 10 0 DEAERO CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1C ZINC000110941599 194372685 /nfs/dbraw/zinc/37/26/85/194372685.db2.gz GYTRAOPWPJYFOP-CYBMUJFWSA-N 1 0 316.854 2.411 10 0 DEAERO CCCN(Cc1csc(C(=O)OCC)n1)[C@@H]1CCC[NH2+]C1 ZINC000110946412 194372998 /nfs/dbraw/zinc/37/29/98/194372998.db2.gz HUXMABZKMWNYLJ-CYBMUJFWSA-N 1 0 311.451 2.284 10 0 DEAERO CCC[NH2+]C[C@@H](O)c1cc(OC)c(OC)cc1Br ZINC000055028159 183958503 /nfs/dbraw/zinc/95/85/03/183958503.db2.gz NOTJWNCUUPEEBQ-LLVKDONJSA-N 1 0 318.211 2.499 10 0 DEAERO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1N)C[C@H]1CCCOC1 ZINC000111154206 194396152 /nfs/dbraw/zinc/39/61/52/194396152.db2.gz UJHYPEXPRLKIAW-LLVKDONJSA-N 1 0 311.813 2.219 10 0 DEAERO C[NH2+][C@](C)(CCSc1cccc(Br)c1)C(N)=O ZINC000055309551 183978708 /nfs/dbraw/zinc/97/87/08/183978708.db2.gz FESIIKVSOOOXGX-GFCCVEGCSA-N 1 0 317.252 2.395 10 0 DEAERO C[NH2+][C@@](C)(CSc1cccc(Br)c1)C(N)=O ZINC000055309545 183978806 /nfs/dbraw/zinc/97/88/06/183978806.db2.gz RIZZNNZAIPGDAP-NSHDSACASA-N 1 0 303.225 2.005 10 0 DEAERO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c(C)n1 ZINC000057165531 184028974 /nfs/dbraw/zinc/02/89/74/184028974.db2.gz KGOLEEXVASWYQY-UHFFFAOYSA-N 1 0 324.428 2.488 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCc2ccc(F)cc2)C1 ZINC000056752798 184018941 /nfs/dbraw/zinc/01/89/41/184018941.db2.gz KAGUOOFOOUPXBH-INIZCTEOSA-N 1 0 307.413 2.494 10 0 DEAERO O=C1NCCC[C@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000336785205 284886215 /nfs/dbraw/zinc/88/62/15/284886215.db2.gz BVGATEDQXDNQQI-QWHCGFSZSA-N 1 0 309.207 2.305 10 0 DEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000059854278 184141516 /nfs/dbraw/zinc/14/15/16/184141516.db2.gz AEEKRDUATGZNPY-ZDUSSCGKSA-N 1 0 320.389 2.167 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000061230577 184166952 /nfs/dbraw/zinc/16/69/52/184166952.db2.gz AVFBNSSNIPKKQE-SNVBAGLBSA-N 1 0 311.813 2.226 10 0 DEAERO CC[NH2+]CCC(=O)Nc1cccc(I)c1 ZINC000061288534 184167635 /nfs/dbraw/zinc/16/76/35/184167635.db2.gz PSLTZAKMRAUWBQ-UHFFFAOYSA-N 1 0 318.158 2.229 10 0 DEAERO CC[NH2+]CCC(=O)Nc1cc(Br)ccc1OC ZINC000061299093 184167647 /nfs/dbraw/zinc/16/76/47/184167647.db2.gz CADZWHCHPNUYOJ-UHFFFAOYSA-N 1 0 301.184 2.396 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000061273789 184167901 /nfs/dbraw/zinc/16/79/01/184167901.db2.gz GMTPWTJRHUBCRX-NSHDSACASA-N 1 0 300.349 2.335 10 0 DEAERO Cc1ccc2[nH]c(SC[C@@](C)([NH2+]C(C)C)C(N)=O)nc2c1 ZINC000061440845 184171050 /nfs/dbraw/zinc/17/10/50/184171050.db2.gz AJPMYAWKZAYPOB-OAHLLOKOSA-N 1 0 306.435 2.205 10 0 DEAERO CCCOc1nc(Cl)nc(N[C@H](C[NH+](C)C)C(C)C)n1 ZINC000061539286 184173692 /nfs/dbraw/zinc/17/36/92/184173692.db2.gz AXGXYIIYVJWHRA-SNVBAGLBSA-N 1 0 301.822 2.312 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C(C)C)c1ccccn1 ZINC000061595245 184176587 /nfs/dbraw/zinc/17/65/87/184176587.db2.gz LUGGPUVSMIGTQX-JQWIXIFHSA-N 1 0 307.423 2.118 10 0 DEAERO NC(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000061626407 184178910 /nfs/dbraw/zinc/17/89/10/184178910.db2.gz WHEUUMRBEJPURH-UHFFFAOYSA-N 1 0 301.312 2.338 10 0 DEAERO C[C@@H](CC(N)=O)C[C@@H]([NH3+])c1cc2c(cc1Cl)OCCCO2 ZINC000061830314 184188951 /nfs/dbraw/zinc/18/89/51/184188951.db2.gz LXGLRGVYGQQIFM-BXKDBHETSA-N 1 0 312.797 2.403 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)NCc2ccccc2C[NH3+])c1 ZINC000061841260 184189177 /nfs/dbraw/zinc/18/91/77/184189177.db2.gz UGHUPGQDWUOYKV-UHFFFAOYSA-N 1 0 304.415 2.241 10 0 DEAERO Nc1ccc(Cl)cc1NC(=O)CCC[N@@H+]1CCCOCC1 ZINC000061913843 184195168 /nfs/dbraw/zinc/19/51/68/184195168.db2.gz PWXGUKDMDMHPAN-UHFFFAOYSA-N 1 0 311.813 2.363 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccccc1)N1CCN(CC(F)(F)F)CC1 ZINC000061940788 184197468 /nfs/dbraw/zinc/19/74/68/184197468.db2.gz XNAJJYRPILWVIJ-TZMCWYRMSA-N 1 0 301.356 2.255 10 0 DEAERO CCC[NH2+][C@H]1CCC[C@@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000061947633 184197973 /nfs/dbraw/zinc/19/79/73/184197973.db2.gz URAGABNBBWAPOK-KGLIPLIRSA-N 1 0 307.404 2.335 10 0 DEAERO COc1ccc(Br)cc1C[C@@]1(O)CC[N@H+](C)C1 ZINC000061986831 184200074 /nfs/dbraw/zinc/20/00/74/184200074.db2.gz QSVXXJUXTIQHFA-ZDUSSCGKSA-N 1 0 300.196 2.067 10 0 DEAERO COCCC[NH+]1[C@H](C)CN(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC000062090765 184205654 /nfs/dbraw/zinc/20/56/54/184205654.db2.gz IHATVTNBPCRPRS-ZIAGYGMSSA-N 1 0 308.397 2.397 10 0 DEAERO CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116170 184206377 /nfs/dbraw/zinc/20/63/77/184206377.db2.gz LSNUBRFWFGIOJW-SNVBAGLBSA-N 1 0 308.403 2.350 10 0 DEAERO CCC[C@H]([NH3+])CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000158388757 197267858 /nfs/dbraw/zinc/26/78/58/197267858.db2.gz CUBDLNJJEWOIEQ-VIFPVBQESA-N 1 0 310.341 2.111 10 0 DEAERO O=C(C1CC1)N1CCC(c2ccccc2)([NH+]2CCOCC2)CC1 ZINC000062554661 184242334 /nfs/dbraw/zinc/24/23/34/184242334.db2.gz AWXLHBPJMPKHFS-UHFFFAOYSA-N 1 0 314.429 2.247 10 0 DEAERO Cc1nc(N2CCn3ccnc3C2)sc1C[NH2+]CC(C)C ZINC000062328092 184230906 /nfs/dbraw/zinc/23/09/06/184230906.db2.gz LAHVPQIAFGJVHB-UHFFFAOYSA-N 1 0 305.451 2.414 10 0 DEAERO Cc1ncc(C[C@H](C[NH2+]C(C)C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000062337384 184230960 /nfs/dbraw/zinc/23/09/60/184230960.db2.gz ZJSFWHMJOBRCRJ-CHWSQXEVSA-N 1 0 316.492 2.043 10 0 DEAERO CC(C)C[NH2+]Cc1cccc(Br)c1OCC(N)=O ZINC000062733611 184251325 /nfs/dbraw/zinc/25/13/25/184251325.db2.gz JYPCAJOFPFCIIQ-UHFFFAOYSA-N 1 0 315.211 2.059 10 0 DEAERO COc1ccc(OC(F)F)c(NC(=O)[C@@]2(C)CC[NH2+]C2)c1 ZINC000062892657 184258446 /nfs/dbraw/zinc/25/84/46/184258446.db2.gz LWBOEFNREKDUMW-AWEZNQCLSA-N 1 0 300.305 2.235 10 0 DEAERO C[NH2+][C@H](CCSc1ccccc1Br)C(N)=O ZINC000062597131 184244750 /nfs/dbraw/zinc/24/47/50/184244750.db2.gz KZTAQUXREDLOAL-SECBINFHSA-N 1 0 303.225 2.005 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000063213082 184278468 /nfs/dbraw/zinc/27/84/68/184278468.db2.gz LXQCWGAEQGTUKB-CVEARBPZSA-N 1 0 308.447 2.114 10 0 DEAERO CCCNc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000062984772 184265164 /nfs/dbraw/zinc/26/51/64/184265164.db2.gz PDUGEJVRNXABFN-LBPRGKRZSA-N 1 0 310.829 2.333 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1ccc(S(C)(=O)=O)cc1)C(F)(F)F ZINC000063131282 184272199 /nfs/dbraw/zinc/27/21/99/184272199.db2.gz PHLOCQCRPFJBNT-XVKPBYJWSA-N 1 0 313.366 2.460 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1ccc(S(C)(=O)=O)cc1)C(F)(F)F ZINC000063131283 184272358 /nfs/dbraw/zinc/27/23/58/184272358.db2.gz PHLOCQCRPFJBNT-XCBNKYQSSA-N 1 0 313.366 2.460 10 0 DEAERO CC(C)[N@H+](C)CC(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000063466605 184282237 /nfs/dbraw/zinc/28/22/37/184282237.db2.gz MTEDJMWPDVOXQO-UHFFFAOYSA-N 1 0 303.406 2.201 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1F ZINC000063172363 184276219 /nfs/dbraw/zinc/27/62/19/184276219.db2.gz DPXSCPWPDLDQRT-GHMZBOCLSA-N 1 0 301.159 2.198 10 0 DEAERO CCn1cc(C[NH+]2CCC([C@H](O)c3ccccn3)CC2)cn1 ZINC000065288637 184323226 /nfs/dbraw/zinc/32/32/26/184323226.db2.gz HXSVPLPSYVLLPU-KRWDZBQOSA-N 1 0 300.406 2.244 10 0 DEAERO NC(=O)c1ccccc1NC(=O)C[NH2+]CCC1=CCCCC1 ZINC000066214347 184397306 /nfs/dbraw/zinc/39/73/06/184397306.db2.gz SPMDNPWWRCCUEP-UHFFFAOYSA-N 1 0 301.390 2.204 10 0 DEAERO CC(C)Cc1nsc(N2CCC([N@H+](C)CCCO)CC2)n1 ZINC000185425768 207366562 /nfs/dbraw/zinc/36/65/62/207366562.db2.gz NWXKFYCMWZOYLC-UHFFFAOYSA-N 1 0 312.483 2.020 10 0 DEAERO CCC[NH2+][C@](C)(C[C@@H](C)n1cc(C(F)(F)F)cn1)C(N)=O ZINC000068650427 184496270 /nfs/dbraw/zinc/49/62/70/184496270.db2.gz JMKGFVPEEHQRLY-BXKDBHETSA-N 1 0 306.332 2.097 10 0 DEAERO CC[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)CC(C)(C)O ZINC000114487271 285021831 /nfs/dbraw/zinc/02/18/31/285021831.db2.gz YNJRKMBREHPALB-OAHLLOKOSA-N 1 0 315.841 2.310 10 0 DEAERO CCN(CCc1nccs1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000119727909 195026821 /nfs/dbraw/zinc/02/68/21/195026821.db2.gz GHODYBBLIKXGBJ-AWEZNQCLSA-N 1 0 324.494 2.449 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](c3cccs3)C2)C1 ZINC000119960118 195070179 /nfs/dbraw/zinc/07/01/79/195070179.db2.gz BMPNIOUUHAHZMO-KBPBESRZSA-N 1 0 323.462 2.315 10 0 DEAERO Cc1nc2ccc(C(=O)N(C)CCC[NH+](C)C)cc2nc1C ZINC000539417424 285076887 /nfs/dbraw/zinc/07/68/87/285076887.db2.gz LEJYPFWBGYLOGR-UHFFFAOYSA-N 1 0 300.406 2.270 10 0 DEAERO CN1CCC[C@@H]([N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)C1=O ZINC000539808542 285093639 /nfs/dbraw/zinc/09/36/39/285093639.db2.gz BSJUXOIXGAOOCO-ZIAGYGMSSA-N 1 0 310.438 2.051 10 0 DEAERO C[NH2+][C@H](C[S@](=O)c1ccc(F)c(Cl)c1)[C@@H]1CCOC1 ZINC000159152429 197331466 /nfs/dbraw/zinc/33/14/66/197331466.db2.gz SRKVHQQRAXJJRN-HZCCJMTMSA-N 1 0 305.802 2.211 10 0 DEAERO [NH3+][C@@H](CS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCOC1 ZINC000159121013 197329553 /nfs/dbraw/zinc/32/95/53/197329553.db2.gz WRGAHRXXGAWHOL-PELKAZGASA-N 1 0 324.229 2.131 10 0 DEAERO Cc1cc(S(=O)(=O)NC2CCC2)cc(C[NH2+]C(C)C)c1F ZINC000159106597 197327411 /nfs/dbraw/zinc/32/74/11/197327411.db2.gz GLOWQKZKYAXZGV-UHFFFAOYSA-N 1 0 314.426 2.463 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@@H]2C)cc(C)c1F ZINC000159074346 197324881 /nfs/dbraw/zinc/32/48/81/197324881.db2.gz NJYJVHOPBQVEER-NSHDSACASA-N 1 0 300.399 2.027 10 0 DEAERO CCN(CC(N)=[NH2+])C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159034901 197320947 /nfs/dbraw/zinc/32/09/47/197320947.db2.gz RAJWQVSKTRCHHN-UHFFFAOYSA-N 1 0 304.272 2.375 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000159008650 197318690 /nfs/dbraw/zinc/31/86/90/197318690.db2.gz NVJTVDMQCKXMGA-ZBFHGGJFSA-N 1 0 310.463 2.360 10 0 DEAERO CC[C@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc(F)cc1F ZINC000158999037 197318324 /nfs/dbraw/zinc/31/83/24/197318324.db2.gz YNIPKEIWVQGVNJ-GWCFXTLKSA-N 1 0 318.389 2.021 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(NC(C)=O)n1 ZINC000159001127 197318341 /nfs/dbraw/zinc/31/83/41/197318341.db2.gz NSAISQPVSMXCMA-ZIAGYGMSSA-N 1 0 308.451 2.160 10 0 DEAERO Cc1cc(C[C@@H](C)[NH3+])cnc1Sc1ncnc2[nH]cnc21 ZINC000158971590 197314825 /nfs/dbraw/zinc/31/48/25/197314825.db2.gz UHAVVEATFPUJJV-SECBINFHSA-N 1 0 300.391 2.097 10 0 DEAERO O=C1NCCCC[C@H]1[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000120233390 195124075 /nfs/dbraw/zinc/12/40/75/195124075.db2.gz PUEGCYUODPKSKD-MRXNPFEDSA-N 1 0 305.397 2.371 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)c1cc(C)ccc1C)[C@@H]1CCOC1 ZINC000158734007 197297111 /nfs/dbraw/zinc/29/71/11/197297111.db2.gz BCPRLACFAZLSEP-CABCVRRESA-N 1 0 311.447 2.092 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000158714698 197296367 /nfs/dbraw/zinc/29/63/67/197296367.db2.gz NSSGDZBUBRXINF-AWEZNQCLSA-N 1 0 321.469 2.039 10 0 DEAERO CCn1ncc(Br)c1[C@H](C[C@@H]1CCCO1)[NH2+]C ZINC000158642472 197290533 /nfs/dbraw/zinc/29/05/33/197290533.db2.gz CCLYVZPKIDGKAX-ONGXEEELSA-N 1 0 302.216 2.495 10 0 DEAERO CCOC(=O)c1nc(N(C)CCC[NH+](C)C)cc(C(C)(C)C)n1 ZINC000557646358 291873927 /nfs/dbraw/zinc/87/39/27/291873927.db2.gz GSFDXNUGBUGTDV-UHFFFAOYSA-N 1 0 322.453 2.339 10 0 DEAERO Cc1ccc(C(=O)CC[NH+]2CCC(C(=O)N(C)C)CC2)cc1 ZINC000158381345 197267471 /nfs/dbraw/zinc/26/74/71/197267471.db2.gz IMMMTHFAYXAYPC-UHFFFAOYSA-N 1 0 302.418 2.368 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000158257754 197258312 /nfs/dbraw/zinc/25/83/12/197258312.db2.gz HLDRUELMFWHZBH-VIFPVBQESA-N 1 0 310.419 2.337 10 0 DEAERO CC(C)(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000158238122 197256523 /nfs/dbraw/zinc/25/65/23/197256523.db2.gz XGBRDLBRKKFTNB-MXWKQRLJSA-N 1 0 310.360 2.366 10 0 DEAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOCC[C@H]2C)C1 ZINC000376153735 296385240 /nfs/dbraw/zinc/38/52/40/296385240.db2.gz YUQXBORUNKNVPU-HUUCEWRRSA-N 1 0 311.470 2.317 10 0 DEAERO Cc1cc(C)c(C(N)=S)c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000158026601 197237376 /nfs/dbraw/zinc/23/73/76/197237376.db2.gz DJZXAKOHABVGJJ-CHWSQXEVSA-N 1 0 304.463 2.371 10 0 DEAERO COc1ccc(N(CCC[NH3+])C(=O)NCC(F)(F)F)cc1 ZINC000157958030 197230673 /nfs/dbraw/zinc/23/06/73/197230673.db2.gz MQXKRTWICUFGME-UHFFFAOYSA-N 1 0 305.300 2.122 10 0 DEAERO CCC(CC)([C@@H](O)c1c(Br)cnn1C)[NH+](C)C ZINC000157649795 197204987 /nfs/dbraw/zinc/20/49/87/197204987.db2.gz CDZPUTBXIRYOHS-NSHDSACASA-N 1 0 304.232 2.336 10 0 DEAERO CC[C@](C)([C@@H](O)c1c(Br)cnn1C)[NH+]1CCCC1 ZINC000157632265 197203514 /nfs/dbraw/zinc/20/35/14/197203514.db2.gz SDQYLOMSJZSENV-QWHCGFSZSA-N 1 0 316.243 2.481 10 0 DEAERO CCNc1nc(Cl)nc(N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)n1 ZINC000157383949 197183485 /nfs/dbraw/zinc/18/34/85/197183485.db2.gz VUTZCGSBWYBDLP-QWRGUYRKSA-N 1 0 310.833 2.020 10 0 DEAERO Nc1cnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000157447004 197188308 /nfs/dbraw/zinc/18/83/08/197188308.db2.gz CGSDVHTZTOOGHH-WDEREUQCSA-N 1 0 311.227 2.465 10 0 DEAERO CCCNc1nc(Cl)nc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000157400023 197184465 /nfs/dbraw/zinc/18/44/65/197184465.db2.gz GHDDODJCBPIOQU-WDEREUQCSA-N 1 0 310.833 2.020 10 0 DEAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N(C)CCOC(C)C)c1 ZINC000157293665 197177209 /nfs/dbraw/zinc/17/72/09/197177209.db2.gz GFIOMXGBHHNEHU-OAHLLOKOSA-N 1 0 314.451 2.142 10 0 DEAERO CC[NH2+]C[C@](C)(O)COc1c(Br)cccc1OC ZINC000157195423 197169371 /nfs/dbraw/zinc/16/93/71/197169371.db2.gz HDGBIRZYCHCDKD-ZDUSSCGKSA-N 1 0 318.211 2.197 10 0 DEAERO CSc1nsc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000157077515 197160389 /nfs/dbraw/zinc/16/03/89/197160389.db2.gz ORFIRFDLPIEFLO-RKDXNWHRSA-N 1 0 315.468 2.206 10 0 DEAERO C[NH2+][C@@H](c1cc(C)c(Br)s1)c1cnnn1C ZINC000157040039 197157117 /nfs/dbraw/zinc/15/71/17/197157117.db2.gz SCJRPSZXCKPBNH-SECBINFHSA-N 1 0 301.213 2.256 10 0 DEAERO CNc1cc[nH+]c(Cn2cc(Br)cc(C)c2=O)c1 ZINC000156963073 197152777 /nfs/dbraw/zinc/15/27/77/197152777.db2.gz GRHUKJOCDAGXKB-UHFFFAOYSA-N 1 0 308.179 2.404 10 0 DEAERO C[C@@](O)(Cc1ccccc1Br)C[C@H]1COCC[NH2+]1 ZINC000156803073 197142509 /nfs/dbraw/zinc/14/25/09/197142509.db2.gz MOLLLXGQRMEHAS-GXTWGEPZSA-N 1 0 314.223 2.121 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(O)c(F)c1 ZINC000156763489 197138747 /nfs/dbraw/zinc/13/87/47/197138747.db2.gz XZXJVRNHOVSBTE-CYBMUJFWSA-N 1 0 311.401 2.307 10 0 DEAERO CC[NH+](CC)CCN(Cc1nsc(N(C)C)n1)CC(C)C ZINC000156710559 197135187 /nfs/dbraw/zinc/13/51/87/197135187.db2.gz ZPYSNKVESBFSCB-UHFFFAOYSA-N 1 0 313.515 2.404 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000187819379 533145487 /nfs/dbraw/zinc/14/54/87/533145487.db2.gz NUGAGYZWHXFKDV-KGLIPLIRSA-N 1 0 320.437 2.325 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000189628131 533145267 /nfs/dbraw/zinc/14/52/67/533145267.db2.gz VAQZDGPKLMREKK-ZDUSSCGKSA-N 1 0 320.437 2.323 10 0 DEAERO CCC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C1(C)CC1 ZINC000156264122 197099193 /nfs/dbraw/zinc/09/91/93/197099193.db2.gz MCRGPMTUYSIFCH-ZIAGYGMSSA-N 1 0 302.484 2.216 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000156148982 197089820 /nfs/dbraw/zinc/08/98/20/197089820.db2.gz SOOLDUARFSIPBT-CABCVRRESA-N 1 0 315.502 2.305 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[S@](=O)CC1CCCC1 ZINC000156066191 197084195 /nfs/dbraw/zinc/08/41/95/197084195.db2.gz FDJMQAWAZJDFBV-QKVFXAPYSA-N 1 0 308.447 2.411 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1C[NH3+])[S@@](=O)c1cccs1 ZINC000155970954 197077904 /nfs/dbraw/zinc/07/79/04/197077904.db2.gz WWWZUHBMIRATLO-SBKAZYGRSA-N 1 0 308.428 2.342 10 0 DEAERO O=C(c1cccc(F)c1Br)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000155969336 197077673 /nfs/dbraw/zinc/07/76/73/197077673.db2.gz LGTFIWAFHROFCP-GZMMTYOYSA-N 1 0 313.170 2.022 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000155601546 197070841 /nfs/dbraw/zinc/07/08/41/197070841.db2.gz ASRMFCATUIDEHS-ZIAGYGMSSA-N 1 0 302.374 2.221 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@H]([NH3+])C2)no1 ZINC000155027892 197014831 /nfs/dbraw/zinc/01/48/31/197014831.db2.gz XUDSCUQLDZQJGE-AGIUHOORSA-N 1 0 306.410 2.374 10 0 DEAERO COC[C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000367114802 285252474 /nfs/dbraw/zinc/25/24/74/285252474.db2.gz QMNFTFOVPSDASS-LZWOXQAQSA-N 1 0 311.397 2.457 10 0 DEAERO Cc1cccc(NC(=O)CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000120675926 195214502 /nfs/dbraw/zinc/21/45/02/195214502.db2.gz JCOOTUJDQNMSSG-UHFFFAOYSA-N 1 0 301.434 2.494 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000543564246 285293652 /nfs/dbraw/zinc/29/36/52/285293652.db2.gz JHYNGQLBBRHSAE-UHFFFAOYSA-N 1 0 301.394 2.288 10 0 DEAERO Cc1ccc(C(=O)N2Cc3ccnn3[C@H](CC[NH+](C)C)C2)s1 ZINC000248119069 257109094 /nfs/dbraw/zinc/10/90/94/257109094.db2.gz MOYJCQNJIFLGNW-CQSZACIVSA-N 1 0 318.446 2.402 10 0 DEAERO Cc1ncsc1C[N@@H+]1CC[C@H]2OCCN(CC3CC3)[C@@H]2C1 ZINC000248016124 257111984 /nfs/dbraw/zinc/11/19/84/257111984.db2.gz HQWYHXVFDHJNKY-HUUCEWRRSA-N 1 0 307.463 2.137 10 0 DEAERO Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H](C(=O)N(C)C)O[C@@H]3C2)cc1 ZINC000248006317 257111998 /nfs/dbraw/zinc/11/19/98/257111998.db2.gz OPYWWESFLLSLCI-IXDOHACOSA-N 1 0 302.418 2.063 10 0 DEAERO O=C(CC1CCCC1)N1C[C@@H]2OCC[N@@H+](CC3CC3)C[C@@H]2C1 ZINC000247807017 257118125 /nfs/dbraw/zinc/11/81/25/257118125.db2.gz BWINHHVYZLYGKW-SJORKVTESA-N 1 0 306.450 2.136 10 0 DEAERO c1ccc(C[C@@H]2[C@@H](N3CCOCC3)CC[N@H+]2CC2CC2)cc1 ZINC000253591232 257105350 /nfs/dbraw/zinc/10/53/50/257105350.db2.gz LBGAYBRRGXKECV-RBUKOAKNSA-N 1 0 300.446 2.414 10 0 DEAERO CC[C@H]1CN(Cc2cccc(OC)c2OC)CC[N@@H+]1CCOC ZINC000120945477 195268754 /nfs/dbraw/zinc/26/87/54/195268754.db2.gz JDSFUWAFYBWQBK-INIZCTEOSA-N 1 0 322.449 2.246 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000121641240 195321811 /nfs/dbraw/zinc/32/18/11/195321811.db2.gz GQLUEDDTYQSCSQ-GJZGRUSLSA-N 1 0 311.470 2.173 10 0 DEAERO Cc1cccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000121812696 195352336 /nfs/dbraw/zinc/35/23/36/195352336.db2.gz NYLJVPKOWADFAN-OAHLLOKOSA-N 1 0 305.422 2.026 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](C)C(=O)N2CC2CC[NH+](C)CC2)s1 ZINC000121980535 195385707 /nfs/dbraw/zinc/38/57/07/195385707.db2.gz RCBGJNIICKPJJM-IUODEOHRSA-N 1 0 307.463 2.217 10 0 DEAERO O=C1N(Cc2cccc(F)c2Cl)CCN1C1CC[NH2+]CC1 ZINC000123203127 195555191 /nfs/dbraw/zinc/55/51/91/195555191.db2.gz VOEQFBYNBDSGQR-UHFFFAOYSA-N 1 0 311.788 2.469 10 0 DEAERO [NH3+]CCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Cl ZINC000123229782 195558916 /nfs/dbraw/zinc/55/89/16/195558916.db2.gz VHJROQSRIUMBFC-UHFFFAOYSA-N 1 0 301.170 2.223 10 0 DEAERO CC(C)[C@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000124919246 195693266 /nfs/dbraw/zinc/69/32/66/195693266.db2.gz LXXYRUWAOVDMMT-WCQYABFASA-N 1 0 322.232 2.340 10 0 DEAERO CCO[C@H](CC)[C@@H]([NH3+])Cc1c(Br)c(CC)nn1C ZINC000125041390 195706838 /nfs/dbraw/zinc/70/68/38/195706838.db2.gz HPFZONQLSYRNTF-JOYOIKCWSA-N 1 0 318.259 2.430 10 0 DEAERO CC[C@@H]([NH3+])CC(=O)Nc1ccc(I)cc1 ZINC000127170403 195854402 /nfs/dbraw/zinc/85/44/02/195854402.db2.gz JYCLMDDWYJGIAA-SECBINFHSA-N 1 0 318.158 2.357 10 0 DEAERO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000127631838 195896037 /nfs/dbraw/zinc/89/60/37/195896037.db2.gz WUBFBTANVZHUQM-JHJVBQTASA-N 1 0 309.207 2.031 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC([NH+](C)C)CC2)cc1 ZINC000127957108 195924439 /nfs/dbraw/zinc/92/44/39/195924439.db2.gz XISHAJPWFRRRSJ-ZDUSSCGKSA-N 1 0 317.433 2.242 10 0 DEAERO C/C=C(\CC)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000190907359 533438006 /nfs/dbraw/zinc/43/80/06/533438006.db2.gz XFFNCEXXGDTMOW-HVJNEOCBSA-N 1 0 302.418 2.094 10 0 DEAERO C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000328630758 533512844 /nfs/dbraw/zinc/51/28/44/533512844.db2.gz JTAUUJDDGOMRKL-JLJPHGGASA-N 1 0 307.438 2.293 10 0 DEAERO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000340466422 131835393 /nfs/dbraw/zinc/83/53/93/131835393.db2.gz YWIAXVYROLQVKJ-VXGBXAGGSA-N 1 0 302.415 2.336 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000174296067 132508335 /nfs/dbraw/zinc/50/83/35/132508335.db2.gz YWRMKQYRXNIMDU-OAHLLOKOSA-N 1 0 311.376 2.319 10 0 DEAERO CCn1cc(C2CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC2)cn1 ZINC000175148098 132512757 /nfs/dbraw/zinc/51/27/57/132512757.db2.gz NQYGWVCDSZUZHK-CQSZACIVSA-N 1 0 306.454 2.338 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000178479416 132535353 /nfs/dbraw/zinc/53/53/53/132535353.db2.gz DYLSPGOHOMZXCY-OQQHHNTDSA-N 1 0 321.446 2.124 10 0 DEAERO O=C(NCc1cccc(O)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193994039 132535971 /nfs/dbraw/zinc/53/59/71/132535971.db2.gz JFWUGKRCYIGLLV-UHFFFAOYSA-N 1 0 317.433 2.410 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000357905939 133108591 /nfs/dbraw/zinc/10/85/91/133108591.db2.gz OCVSURQSIZJRNY-UHFFFAOYSA-N 1 0 313.405 2.014 10 0 DEAERO C[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)C1CCCCC1 ZINC000358139773 133123703 /nfs/dbraw/zinc/12/37/03/133123703.db2.gz LMVADXNLJMJHNA-INIZCTEOSA-N 1 0 321.509 2.489 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCCCOc2ccccc2)CC1 ZINC000358187954 133127099 /nfs/dbraw/zinc/12/70/99/133127099.db2.gz KTZZNABSVOYDEV-UHFFFAOYSA-N 1 0 317.433 2.407 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)C1C(C)(C)C1(C)C ZINC000358195819 133127661 /nfs/dbraw/zinc/12/76/61/133127661.db2.gz VUJFCJQIXOKYAK-OCCSQVGLSA-N 1 0 308.466 2.427 10 0 DEAERO O=C(NC[C@H](CO)C1CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000359772007 133143623 /nfs/dbraw/zinc/14/36/23/133143623.db2.gz CLSNHHPGZHBYOK-QGZVFWFLSA-N 1 0 302.418 2.031 10 0 DEAERO CCN(C)c1ccc(C[NH2+]CCc2cccc(OC)n2)cn1 ZINC000359771467 133143767 /nfs/dbraw/zinc/14/37/67/133143767.db2.gz XHYULQZLFAPBJA-UHFFFAOYSA-N 1 0 300.406 2.274 10 0 DEAERO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360506102 133186255 /nfs/dbraw/zinc/18/62/55/133186255.db2.gz YBWVAEMPYPMFPF-UHFFFAOYSA-N 1 0 315.421 2.046 10 0 DEAERO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](CO)C(C)C)co2)cc1 ZINC000362176065 133215449 /nfs/dbraw/zinc/21/54/49/133215449.db2.gz GQMNEWHPVLVTKZ-HNNXBMFYSA-N 1 0 318.373 2.235 10 0 DEAERO Cc1cnc(C)c(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1 ZINC000368117233 133260794 /nfs/dbraw/zinc/26/07/94/133260794.db2.gz FMWNVZZUPDAEHG-UHFFFAOYSA-N 1 0 317.481 2.088 10 0 DEAERO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC([C@H]2CCOC2)C1 ZINC000377060748 133317032 /nfs/dbraw/zinc/31/70/32/133317032.db2.gz HWRJVSGHRWWSOT-KRWDZBQOSA-N 1 0 314.429 2.391 10 0 DEAERO c1sc(-c2ccccn2)nc1CN1CC[NH+]2CCC1CC2 ZINC000377385754 133328043 /nfs/dbraw/zinc/32/80/43/133328043.db2.gz IYCUSDLJEZTKAI-UHFFFAOYSA-N 1 0 300.431 2.485 10 0 DEAERO CCC[NH2+]C[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2)C1 ZINC000053701452 134770259 /nfs/dbraw/zinc/77/02/59/134770259.db2.gz LTUJEODBNYKGKW-CQSZACIVSA-N 1 0 310.463 2.306 10 0 DEAERO O=[S@](C[C@@H]1CCCC[NH2+]1)c1cccc(Br)n1 ZINC000095092393 296523023 /nfs/dbraw/zinc/52/30/23/296523023.db2.gz MMLIHXRXBDAPCP-FVMDXXJSSA-N 1 0 303.225 2.094 10 0 DEAERO c1cnc2c(c1)nccc2N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000563977667 292082889 /nfs/dbraw/zinc/08/28/89/292082889.db2.gz MZTXKSDGQZWEDO-PBHICJAKSA-N 1 0 312.417 2.107 10 0 DEAERO Cc1ccc(C2(C(=O)N3CC[C@H]([NH+](C)C)C3)CCOCC2)cc1 ZINC000110702320 292089633 /nfs/dbraw/zinc/08/96/33/292089633.db2.gz ZIRLYKUUQAQRSM-KRWDZBQOSA-N 1 0 316.445 2.206 10 0 DEAERO CC[NH+]1CCC(CNC(=O)Nc2ccc(N(C)C)nc2)CC1 ZINC000564640730 292102835 /nfs/dbraw/zinc/10/28/35/292102835.db2.gz ASVMZUPPYVVYLB-UHFFFAOYSA-N 1 0 305.426 2.001 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000183557855 144930757 /nfs/dbraw/zinc/93/07/57/144930757.db2.gz JYIULJFRURCZHV-OAHLLOKOSA-N 1 0 310.401 2.474 10 0 DEAERO COc1ccc(C[C@@H](C)C[NH2+]CCCn2ccnn2)cc1F ZINC000185322726 144960327 /nfs/dbraw/zinc/96/03/27/144960327.db2.gz HYFXQGFUWUFMMZ-CYBMUJFWSA-N 1 0 306.385 2.284 10 0 DEAERO O=C(c1c(Cl)nc2ccccn21)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186505142 144983543 /nfs/dbraw/zinc/98/35/43/144983543.db2.gz XHHRETXQWBDLJS-NSHDSACASA-N 1 0 318.808 2.344 10 0 DEAERO O=C(c1cc2c(s1)CCOC2)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186535252 144984539 /nfs/dbraw/zinc/98/45/39/144984539.db2.gz YJRXCXCYODYDOI-GFCCVEGCSA-N 1 0 306.431 2.177 10 0 DEAERO Cc1ccc(-c2nc(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)cs2)o1 ZINC000186792786 144989083 /nfs/dbraw/zinc/98/90/83/144989083.db2.gz WUECIJRXEQUUQZ-KOLCDFICSA-N 1 0 305.403 2.439 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCC(C)(C)O3)CC[C@@H]21 ZINC000188180336 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O=C(NCCN1CCc2c(Cl)cccc2C1)[C@H]1CCCCO1 ZINC000188767099 145017577 /nfs/dbraw/zinc/01/75/77/145017577.db2.gz BYSHVGYOGIDKND-MRXNPFEDSA-N 1 0 322.836 2.383 10 0 DEAERO COc1ccc(O)cc1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000188828263 145018041 /nfs/dbraw/zinc/01/80/41/145018041.db2.gz RORWEUJYIQDFQD-CQSZACIVSA-N 1 0 320.433 2.499 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)no1 ZINC000188981602 145020279 /nfs/dbraw/zinc/02/02/79/145020279.db2.gz XASLOIBCJBAJBH-XHDPSFHLSA-N 1 0 321.327 2.137 10 0 DEAERO O=C(C[C@@H]1CCCO1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189028023 145020996 /nfs/dbraw/zinc/02/09/96/145020996.db2.gz MTVHGAFPQYBCBS-WOSRLPQWSA-N 1 0 324.371 2.096 10 0 DEAERO Cc1nn(C)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000189652463 145031822 /nfs/dbraw/zinc/03/18/22/145031822.db2.gz MSNIYSFRXXYZPT-XJKSGUPXSA-N 1 0 317.437 2.209 10 0 DEAERO Cc1cccc2c1OCC[C@@H]2NC(=O)NCC1CC[NH+](C)CC1 ZINC000190546028 145043936 /nfs/dbraw/zinc/04/39/36/145043936.db2.gz 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DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2c(F)cccc2Cl)C[C@H]1C ZINC000247773086 145144150 /nfs/dbraw/zinc/14/41/50/145144150.db2.gz PSARJLWXPCUUCE-NEPJUHHUSA-N 1 0 300.805 2.366 10 0 DEAERO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000247882199 145144414 /nfs/dbraw/zinc/14/44/14/145144414.db2.gz BZLBBMNOWLRBPN-DFGXFYAUSA-N 1 0 308.466 2.118 10 0 DEAERO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000247882204 145144533 /nfs/dbraw/zinc/14/45/33/145144533.db2.gz BZLBBMNOWLRBPN-UIBIWLFHSA-N 1 0 308.466 2.118 10 0 DEAERO Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247879646 145144924 /nfs/dbraw/zinc/14/49/24/145144924.db2.gz ZUONIIYNMWZDBL-LBPRGKRZSA-N 1 0 314.838 2.117 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2ncncc2Cl)[C@H]1c1ccccc1 ZINC000247987571 145146613 /nfs/dbraw/zinc/14/66/13/145146613.db2.gz INSNLPKCPOGDBI-DZGCQCFKSA-N 1 0 316.792 2.305 10 0 DEAERO Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000248120500 145148569 /nfs/dbraw/zinc/14/85/69/145148569.db2.gz UEFKTICFONUSDA-AEFFLSMTSA-N 1 0 312.417 2.062 10 0 DEAERO Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn1 ZINC000248144868 145149643 /nfs/dbraw/zinc/14/96/43/145149643.db2.gz ZHKJDMDVVHJCCR-MJGOQNOKSA-N 1 0 309.413 2.494 10 0 DEAERO C[N@H+](CCN1CC[C@@](O)(C(F)(F)F)C1)Cc1ccc(F)cc1 ZINC000248558232 145158721 /nfs/dbraw/zinc/15/87/21/145158721.db2.gz LTEKMSOLPJKOGK-AWEZNQCLSA-N 1 0 320.330 2.257 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000248576145 145159296 /nfs/dbraw/zinc/15/92/96/145159296.db2.gz NLEPUURHWDFTMP-WBVHZDCISA-N 1 0 321.509 2.440 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C/C=C/c2cccc(F)c2)[C@H](C)C1 ZINC000248830541 145169093 /nfs/dbraw/zinc/16/90/93/145169093.db2.gz FEBFOFKLJRSEEX-WBNAFJIESA-N 1 0 320.408 2.143 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H](C)c1ccccc1)[C@@H]1CCCO1 ZINC000248862406 145171002 /nfs/dbraw/zinc/17/10/02/145171002.db2.gz WHGWVCOTIXPIIR-AIANPOQGSA-N 1 0 304.434 2.452 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[C@H]1CCCCO1 ZINC000248898958 145173018 /nfs/dbraw/zinc/17/30/18/145173018.db2.gz WHRQREARHMFJFP-BZUAXINKSA-N 1 0 309.454 2.214 10 0 DEAERO CC(=O)Nc1ccc(C)c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000249078616 145177538 /nfs/dbraw/zinc/17/75/38/145177538.db2.gz PASXRODKFRKWRZ-CJNGLKHVSA-N 1 0 315.417 2.262 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cnc2ccccc2c1 ZINC000249146342 145180251 /nfs/dbraw/zinc/18/02/51/145180251.db2.gz UHWWLFZBVHAUKR-PBHICJAKSA-N 1 0 309.413 2.472 10 0 DEAERO COc1ccc(S[C@@H](C)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000249839012 145191183 /nfs/dbraw/zinc/19/11/83/145191183.db2.gz UXBFYWDTHXEREU-KBPBESRZSA-N 1 0 320.458 2.482 10 0 DEAERO COCc1cccc(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000250079809 145192290 /nfs/dbraw/zinc/19/22/90/145192290.db2.gz OYOKPYCDWLDVKR-ZWKOTPCHSA-N 1 0 316.445 2.318 10 0 DEAERO CO[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(F)cc2)CC[C@@H]1C ZINC000251782685 145196015 /nfs/dbraw/zinc/19/60/15/145196015.db2.gz LMAUMWBGEZPNGT-XJKSGUPXSA-N 1 0 308.397 2.141 10 0 DEAERO CO[C@](C)(C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1F ZINC000253335843 145201526 /nfs/dbraw/zinc/20/15/26/145201526.db2.gz ASTYJHGGRBGPJB-LBTNJELSSA-N 1 0 320.408 2.382 10 0 DEAERO c1ccc(CN2CCCO[C@@H](C[NH2+][C@H]3CCSC3)C2)cc1 ZINC000253335903 145201634 /nfs/dbraw/zinc/20/16/34/145201634.db2.gz AXHVUPOEWIHRSD-IRXDYDNUSA-N 1 0 306.475 2.373 10 0 DEAERO [NH3+]CCN1CCC[C@@H]1c1ccccc1I ZINC000261562802 145208108 /nfs/dbraw/zinc/20/81/08/145208108.db2.gz BOZKFIMOUMOLAS-GFCCVEGCSA-N 1 0 316.186 2.387 10 0 DEAERO CC1(C)C[N@H+](CCc2nc(-c3ccccc3)no2)CC[C@@H]1[NH3+] ZINC000261638535 145212634 /nfs/dbraw/zinc/21/26/34/145212634.db2.gz DHAPKLUDXKXGMT-AWEZNQCLSA-N 1 0 300.406 2.338 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261646003 145213005 /nfs/dbraw/zinc/21/30/05/145213005.db2.gz DTESSGVGCVGORD-SFHVURJKSA-N 1 0 311.433 2.231 10 0 DEAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1nc(C2CC2)no1 ZINC000261681283 145216251 /nfs/dbraw/zinc/21/62/51/145216251.db2.gz IKDHNYUEBBXZQL-AWEZNQCLSA-N 1 0 314.389 2.102 10 0 DEAERO c1nn(-c2ccccc2)cc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261706561 145219203 /nfs/dbraw/zinc/21/92/03/145219203.db2.gz KCGHOMMQPLCRRZ-LJQANCHMSA-N 1 0 319.412 2.414 10 0 DEAERO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261715603 145219802 /nfs/dbraw/zinc/21/98/02/145219802.db2.gz MWCLLKUPUMEGMG-BBRMVZONSA-N 1 0 321.440 2.232 10 0 DEAERO Fc1ccc(CCNC2=[NH+]CCCN2)cc1Br ZINC000261733226 145221626 /nfs/dbraw/zinc/22/16/26/145221626.db2.gz HNPZWDMIFWGPEI-UHFFFAOYSA-N 1 0 300.175 2.070 10 0 DEAERO CCO[C@@H](C)c1noc(CN(CC[NH3+])CCc2ccccc2)n1 ZINC000261760250 145223530 /nfs/dbraw/zinc/22/35/30/145223530.db2.gz MVJIJMIVEGTNEP-AWEZNQCLSA-N 1 0 318.421 2.171 10 0 DEAERO Cc1nccnc1N1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000261764390 145223958 /nfs/dbraw/zinc/22/39/58/145223958.db2.gz DFACHUBTZNYKDR-UHFFFAOYSA-N 1 0 309.417 2.075 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[C@@H](C)C[C@@H]3C[NH3+])nc21 ZINC000261767084 145224506 /nfs/dbraw/zinc/22/45/06/145224506.db2.gz KCBDAFBZYSQNCX-TZMCWYRMSA-N 1 0 314.433 2.390 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261771672 145224629 /nfs/dbraw/zinc/22/46/29/145224629.db2.gz OQWUSVLUIOBEHZ-YPMHNXCESA-N 1 0 314.838 2.021 10 0 DEAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C[C@H]2COCCN2)c1 ZINC000261822036 145230174 /nfs/dbraw/zinc/23/01/74/145230174.db2.gz ASAQAJBUKBMMNN-IHRRRGAJSA-N 1 0 308.422 2.121 10 0 DEAERO Cc1ccc2nc(CN3CC[NH2+]C[C@@H]3c3cccnc3)cn2c1 ZINC000261821697 145230565 /nfs/dbraw/zinc/23/05/65/145230565.db2.gz SHAKYTRNEHNMMM-QGZVFWFLSA-N 1 0 307.401 2.184 10 0 DEAERO C[C@@H]1CCCN1C(=O)CCN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261829090 145231513 /nfs/dbraw/zinc/23/15/13/145231513.db2.gz SUNKJJFFLQRJML-PBHICJAKSA-N 1 0 319.424 2.173 10 0 DEAERO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C1([NH3+])CCOCC1 ZINC000261849489 145232937 /nfs/dbraw/zinc/23/29/37/145232937.db2.gz MEYBBIOTEFMYAX-JSGCOSHPSA-N 1 0 306.381 2.038 10 0 DEAERO Cn1cc(Nc2cccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])c2)cn1 ZINC000261846650 145233158 /nfs/dbraw/zinc/23/31/58/145233158.db2.gz VJTUVNWINCSVQB-MLGOLLRUSA-N 1 0 313.405 2.477 10 0 DEAERO C[C@@H](C(=O)N1CCc2ccccc21)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261850184 145233291 /nfs/dbraw/zinc/23/32/91/145233291.db2.gz RLGWEPXXEYJIMH-XJKSGUPXSA-N 1 0 301.434 2.023 10 0 DEAERO CCC(CC)CS(=O)(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261876816 145236772 /nfs/dbraw/zinc/23/67/72/145236772.db2.gz SZWBTLARIAIJGB-SJORKVTESA-N 1 0 324.490 2.427 10 0 DEAERO O=C([C@H]1Cc2ccccc2S1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261895064 145238532 /nfs/dbraw/zinc/23/85/32/145238532.db2.gz VPRABCKDVAYUFB-IJEWVQPXSA-N 1 0 302.443 2.161 10 0 DEAERO [NH3+][C@@H](C(=O)N1CCC(c2ccccc2)CC1)C1CCOCC1 ZINC000261923865 145242856 /nfs/dbraw/zinc/24/28/56/145242856.db2.gz YZMFVOYATYSNIK-QGZVFWFLSA-N 1 0 302.418 2.147 10 0 DEAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1ncc(-c2ccccc2)o1 ZINC000261929973 145243227 /nfs/dbraw/zinc/24/32/27/145243227.db2.gz WDDBEKRGNKDGRF-LBPRGKRZSA-N 1 0 315.373 2.027 10 0 DEAERO COc1cccc(C[C@@H](C)NC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000261929093 145243589 /nfs/dbraw/zinc/24/35/89/145243589.db2.gz KQHQRMIFTLSTMC-CZUORRHYSA-N 1 0 302.418 2.132 10 0 DEAERO Cc1ccc(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000261960190 145247252 /nfs/dbraw/zinc/24/72/52/145247252.db2.gz HDPACEDISRZEAZ-UHFFFAOYSA-N 1 0 318.442 2.187 10 0 DEAERO Fc1ccc(Cn2cc(CN3C[C@H]4CCC[C@@H](C3)[NH2+]4)cn2)cc1 ZINC000261973526 145248985 /nfs/dbraw/zinc/24/89/85/145248985.db2.gz QOCOUXIUAPVBAQ-HDICACEKSA-N 1 0 314.408 2.397 10 0 DEAERO O=C(C[C@H]1COCC[NH2+]1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000262067134 145259270 /nfs/dbraw/zinc/25/92/70/145259270.db2.gz JFSNNWZGJMUPQN-GOEBONIOSA-N 1 0 308.809 2.286 10 0 DEAERO CCC(=O)c1ccc(OCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000262069167 145259452 /nfs/dbraw/zinc/25/94/52/145259452.db2.gz SGXHCTCLKYIRKQ-INIZCTEOSA-N 1 0 318.417 2.244 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000262086593 145260303 /nfs/dbraw/zinc/26/03/03/145260303.db2.gz UDGKTOHALCKFRH-CDHAZOANSA-N 1 0 315.417 2.092 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262094202 145261368 /nfs/dbraw/zinc/26/13/68/145261368.db2.gz YSSLEJQUZQEAKS-NEPJUHHUSA-N 1 0 318.808 2.335 10 0 DEAERO [NH3+]CC1(C(=O)N2CCC(c3ccccc3)CC2)CCOCC1 ZINC000262131607 145264838 /nfs/dbraw/zinc/26/48/38/145264838.db2.gz LMNUCAFWFBRKSL-UHFFFAOYSA-N 1 0 302.418 2.148 10 0 DEAERO Cc1ccc(-c2ccsc2C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262142483 145266272 /nfs/dbraw/zinc/26/62/72/145266272.db2.gz HHLFSVHERSGJOR-ZFWWWQNUSA-N 1 0 316.426 2.034 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCc1ccccc1N ZINC000262290721 145273935 /nfs/dbraw/zinc/27/39/35/145273935.db2.gz NDRBDCYJXLFTOZ-HOCLYGCPSA-N 1 0 301.434 2.287 10 0 DEAERO COc1ccc(CNC(=O)[C@H](C)C2C[NH2+]C2)c(C(F)(F)F)c1 ZINC000262318295 145275781 /nfs/dbraw/zinc/27/57/81/145275781.db2.gz CMQWLHCXCTUIDX-SECBINFHSA-N 1 0 316.323 2.186 10 0 DEAERO CC1(C)CN(CC(=O)N2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000262413947 145281890 /nfs/dbraw/zinc/28/18/90/145281890.db2.gz DJJOOXKGQUVYDS-MRXNPFEDSA-N 1 0 301.434 2.025 10 0 DEAERO Cc1ccc(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000262433922 145283547 /nfs/dbraw/zinc/28/35/47/145283547.db2.gz GCQKTQVWESXGEE-CQSZACIVSA-N 1 0 322.840 2.160 10 0 DEAERO C[C@@H](NC(=O)CN1CC[C@@H](C)C[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000262457064 145284833 /nfs/dbraw/zinc/28/48/33/145284833.db2.gz IGFWJKTXIBPUOB-IOASZLSFSA-N 1 0 307.413 2.062 10 0 DEAERO C[C@@H](c1ccccc1)N(C)C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262518947 145290098 /nfs/dbraw/zinc/29/00/98/145290098.db2.gz NWQPFCDFRQAABU-GOEBONIOSA-N 1 0 303.450 2.265 10 0 DEAERO CCOc1ccccc1NC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262529272 145290312 /nfs/dbraw/zinc/29/03/12/145290312.db2.gz PGIUUDKGCHPFJO-HNNXBMFYSA-N 1 0 305.422 2.083 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1Cc2ccccc2C1 ZINC000262544607 145292240 /nfs/dbraw/zinc/29/22/40/145292240.db2.gz RPCQTKDBGKMILX-IIDMSEBBSA-N 1 0 300.402 2.061 10 0 DEAERO C[C@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)OCO2 ZINC000262550206 145292261 /nfs/dbraw/zinc/29/22/61/145292261.db2.gz SGPHYRYDJDPCEB-NHYWBVRUSA-N 1 0 304.390 2.371 10 0 DEAERO C[C@H](C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)C1C[NH2+]C1 ZINC000262564802 145293878 /nfs/dbraw/zinc/29/38/78/145293878.db2.gz RJGBIJADFBARGV-FPMFFAJLSA-N 1 0 308.447 2.018 10 0 DEAERO Cc1[nH]ccc1C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000262571689 145294424 /nfs/dbraw/zinc/29/44/24/145294424.db2.gz ZEBFUBLJWIRFAS-BBRMVZONSA-N 1 0 319.355 2.477 10 0 DEAERO CCOc1ccc(NC(=O)CN2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000262577529 145294943 /nfs/dbraw/zinc/29/49/43/145294943.db2.gz YKKIJJAPAFDWQR-DZGCQCFKSA-N 1 0 305.422 2.083 10 0 DEAERO O=C(NCC[C@H]1CCC[NH2+]C1)c1cnc(-c2ccncc2)s1 ZINC000262604376 145296189 /nfs/dbraw/zinc/29/61/89/145296189.db2.gz BKYDMCSTKVGHPF-GFCCVEGCSA-N 1 0 316.430 2.325 10 0 DEAERO Cc1[nH]c2ccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)cc2c1C ZINC000262745947 145302776 /nfs/dbraw/zinc/30/27/76/145302776.db2.gz AKGPIROVAQXBQM-UHFFFAOYSA-N 1 0 323.400 2.084 10 0 DEAERO Cc1c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cnc2ccccc21 ZINC000263147952 145329512 /nfs/dbraw/zinc/32/95/12/145329512.db2.gz CWAIDMWZNOTWTK-HNNXBMFYSA-N 1 0 309.373 2.169 10 0 DEAERO C[C@@H]1CCc2sc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)cc2C1 ZINC000263200641 145335748 /nfs/dbraw/zinc/33/57/48/145335748.db2.gz JAIRNQIPVDRXMR-PWSUYJOCSA-N 1 0 318.446 2.499 10 0 DEAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccc(-c2ccccc2)cc1F ZINC000263223034 145337871 /nfs/dbraw/zinc/33/78/71/145337871.db2.gz MFAMYEGCZQZLFR-AEFFLSMTSA-N 1 0 300.377 2.163 10 0 DEAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000263222626 145337937 /nfs/dbraw/zinc/33/79/37/145337937.db2.gz MEUUCZBUINVPLM-WMZOPIPTSA-N 1 0 312.417 2.396 10 0 DEAERO Cc1cc(OCc2nc([C@H]3C[NH2+]CCN3C)no2)ccc1Cl ZINC000263228905 145338375 /nfs/dbraw/zinc/33/83/75/145338375.db2.gz NCTBVHXYLJKMGB-CYBMUJFWSA-N 1 0 322.796 2.187 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cncc(-c3ccccc3)c2)n1 ZINC000263225128 145338623 /nfs/dbraw/zinc/33/86/23/145338623.db2.gz MQLLOGPMWFNPSD-MRXNPFEDSA-N 1 0 321.384 2.375 10 0 DEAERO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000263228081 145338665 /nfs/dbraw/zinc/33/86/65/145338665.db2.gz NBMFXVXAPCBBHF-MAUKXSAKSA-N 1 0 316.449 2.074 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@@]23CCCc2ccccc23)n1 ZINC000263228125 145338831 /nfs/dbraw/zinc/33/88/31/145338831.db2.gz NCCNIDAIPYIBES-GPMSIDNRSA-N 1 0 324.428 2.407 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2CO)CC1 ZINC000304626646 145339982 /nfs/dbraw/zinc/33/99/82/145339982.db2.gz NAUGEMGPLGGMSX-ZFWWWQNUSA-N 1 0 311.470 2.100 10 0 DEAERO CN(C(=O)c1occc1Br)[C@H]1CCC[NH2+]CC1 ZINC000364650531 404486391 /nfs/dbraw/zinc/48/63/91/404486391.db2.gz XIUYZXOIWYAGSJ-VIFPVBQESA-N 1 0 301.184 2.256 10 0 DEAERO Cc1cc(CC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)on1 ZINC000552200307 285950104 /nfs/dbraw/zinc/95/01/04/285950104.db2.gz ULZWJZCFSQLLPQ-UHFFFAOYSA-N 1 0 301.325 2.035 10 0 DEAERO C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000358509032 147148130 /nfs/dbraw/zinc/14/81/30/147148130.db2.gz VTIMQGNROVCPKK-YCPHGPKFSA-N 1 0 305.422 2.108 10 0 DEAERO COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2C[C@H]2C)c1 ZINC000358563799 147156993 /nfs/dbraw/zinc/15/69/93/147156993.db2.gz QXXKDQLLLYHXKK-ZBFHGGJFSA-N 1 0 319.449 2.424 10 0 DEAERO CC(C)(CNC(=O)NCCNc1cc[nH+]cc1)c1cccs1 ZINC000358644952 147171972 /nfs/dbraw/zinc/17/19/72/147171972.db2.gz ZHFMBQCUCURRNF-UHFFFAOYSA-N 1 0 318.446 2.254 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CC=C(C)CC2)[C@H](C)C1 ZINC000358649939 147173514 /nfs/dbraw/zinc/17/35/14/147173514.db2.gz OMWSDIZPVFBILZ-IAGOWNOFSA-N 1 0 322.497 2.010 10 0 DEAERO COc1cc(C)c(C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)cc1OC ZINC000358709410 147187220 /nfs/dbraw/zinc/18/72/20/147187220.db2.gz CYOCTQMXVACMGT-CHWSQXEVSA-N 1 0 306.406 2.177 10 0 DEAERO CN(Cc1nc2ccccc2n1C)C(=O)CC1CC[NH+](C)CC1 ZINC000358733070 147192386 /nfs/dbraw/zinc/19/23/86/147192386.db2.gz AGKXBXSMNFEKTC-UHFFFAOYSA-N 1 0 314.433 2.264 10 0 DEAERO COC(=O)[C@H](NCc1ccc(NC(=O)C(C)C)cc1)C1CC1 ZINC000358821331 147212198 /nfs/dbraw/zinc/21/21/98/147212198.db2.gz SXNAOEZTNSWWDS-OAHLLOKOSA-N 1 0 304.390 2.322 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc3c(cc2C)OCO3)C1 ZINC000359029236 147249714 /nfs/dbraw/zinc/24/97/14/147249714.db2.gz JCCZFZFCAPPMOB-LBPRGKRZSA-N 1 0 305.378 2.187 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000359040733 147251990 /nfs/dbraw/zinc/25/19/90/147251990.db2.gz JKNRAHUXWIHIGX-CQSZACIVSA-N 1 0 311.470 2.175 10 0 DEAERO c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000374271143 148224860 /nfs/dbraw/zinc/22/48/60/148224860.db2.gz NREYEPKDKOYKRF-AEFFLSMTSA-N 1 0 313.401 2.300 10 0 DEAERO CCn1cc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cn1 ZINC000374789993 148289734 /nfs/dbraw/zinc/28/97/34/148289734.db2.gz ASMWFMOAJPSUHE-SQWLQELKSA-N 1 0 307.438 2.121 10 0 DEAERO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)/C=C/c1cccc2cccnc12 ZINC000375066829 148327597 /nfs/dbraw/zinc/32/75/97/148327597.db2.gz XAGDFEHQRIZZAO-HABDOHHLSA-N 1 0 313.376 2.406 10 0 DEAERO CC[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000111683882 401720692 /nfs/dbraw/zinc/72/06/92/401720692.db2.gz MNPXWTQCNWDQQA-JSGCOSHPSA-N 1 0 308.447 2.041 10 0 DEAERO C[N@@H+](Cc1cccc2ccccc21)C[C@@H](O)CN1CCCC1=O ZINC000111684060 401720896 /nfs/dbraw/zinc/72/08/96/401720896.db2.gz VXLJUKRFPOAKPL-QGZVFWFLSA-N 1 0 312.413 2.255 10 0 DEAERO CC(C)[C@H](C)CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000073904767 401724529 /nfs/dbraw/zinc/72/45/29/401724529.db2.gz OWSXHXITFSHAQC-MRXNPFEDSA-N 1 0 318.465 2.002 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000112133413 401731269 /nfs/dbraw/zinc/73/12/69/401731269.db2.gz FXIVCTKUADILMA-ZIAGYGMSSA-N 1 0 320.437 2.043 10 0 DEAERO C[NH+]1CCC(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000074187701 401732622 /nfs/dbraw/zinc/73/26/22/401732622.db2.gz AAPDAVKHJDBDEU-ZWKOTPCHSA-N 1 0 316.445 2.443 10 0 DEAERO CCCn1cc(CN(C)[C@@H](CO)c2ccc(OC)cc2)cn1 ZINC000126418245 401693140 /nfs/dbraw/zinc/69/31/40/401693140.db2.gz NFKWHMRSTBVAJP-KRWDZBQOSA-N 1 0 303.406 2.467 10 0 DEAERO CCCCN(C(=O)[C@H]1CNC(=O)C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000110713772 401693401 /nfs/dbraw/zinc/69/34/01/401693401.db2.gz IKRJKVCDWRSMOH-CYBMUJFWSA-N 1 0 323.481 2.060 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000126556895 401699545 /nfs/dbraw/zinc/69/95/45/401699545.db2.gz HBVAODZFQNEIDV-WMLDXEAASA-N 1 0 317.433 2.335 10 0 DEAERO COCCN1CC[N@H+](CCCCCn2cc(C)cn2)C[C@H]1C ZINC000111227994 401701924 /nfs/dbraw/zinc/70/19/24/401701924.db2.gz TVTSQEUKQJODMW-QGZVFWFLSA-N 1 0 308.470 2.014 10 0 DEAERO CCc1cnc(CCNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000073659849 401719857 /nfs/dbraw/zinc/71/98/57/401719857.db2.gz CBTYWARNGMIBRH-ZDUSSCGKSA-N 1 0 324.494 2.279 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000129365797 401802648 /nfs/dbraw/zinc/80/26/48/401802648.db2.gz NTBLYUONHLKCJJ-OLZOCXBDSA-N 1 0 323.412 2.488 10 0 DEAERO CN1CC[C@@H](NC(=O)c2cc[nH]c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127785750 401750014 /nfs/dbraw/zinc/75/00/14/401750014.db2.gz VRNNDRLYFXMITA-CABCVRRESA-N 1 0 305.328 2.468 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)CCn2cnc3ccccc32)CC[N@@H+]1C ZINC000127904277 401754919 /nfs/dbraw/zinc/75/49/19/401754919.db2.gz FEXQLWLCEIQCEA-CABCVRRESA-N 1 0 314.433 2.368 10 0 DEAERO Cc1ccc([C@H](CNC(=O)NCC2(C)COC2)[NH+]2CCCC2)o1 ZINC000112718971 401756352 /nfs/dbraw/zinc/75/63/52/401756352.db2.gz INIVAHRGXRVWTP-AWEZNQCLSA-N 1 0 321.421 2.061 10 0 DEAERO CC[NH+](CC)CC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000075262720 401756428 /nfs/dbraw/zinc/75/64/28/401756428.db2.gz QNUOWSWOADIWCE-AWEZNQCLSA-N 1 0 300.406 2.391 10 0 DEAERO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN1c1nccs1 ZINC000075515260 401761557 /nfs/dbraw/zinc/76/15/57/401761557.db2.gz OQUJOGRAFZEOBU-CQSZACIVSA-N 1 0 322.478 2.104 10 0 DEAERO CCC[C@@H](C(=O)NCC(=O)Nc1cccc(CC)c1)[NH+](C)C ZINC000128087800 401762508 /nfs/dbraw/zinc/76/25/08/401762508.db2.gz XEESSWNWOBCWOD-HNNXBMFYSA-N 1 0 305.422 2.034 10 0 DEAERO Cc1csc(N2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)n1 ZINC000075826986 401769976 /nfs/dbraw/zinc/76/99/76/401769976.db2.gz ZYCMHRRBTXBFFM-QGZVFWFLSA-N 1 0 317.458 2.481 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C(=O)N(C)C)c1 ZINC000113268433 401773600 /nfs/dbraw/zinc/77/36/00/401773600.db2.gz RWTXSQPRTJUXCA-WMLDXEAASA-N 1 0 301.434 2.057 10 0 DEAERO CN(C)c1ccccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075969142 401775180 /nfs/dbraw/zinc/77/51/80/401775180.db2.gz WWWGCBVYCJSTJR-GOSISDBHSA-N 1 0 317.477 2.439 10 0 DEAERO C[C@@H](c1nc(-c2cccnc2)no1)N1CC[C@H](C[NH+](C)C)C1 ZINC000113516267 401781821 /nfs/dbraw/zinc/78/18/21/401781821.db2.gz HMRZKIYPHVCYDB-QWHCGFSZSA-N 1 0 301.394 2.076 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1c(F)cccc1F ZINC000113598393 401783108 /nfs/dbraw/zinc/78/31/08/401783108.db2.gz QJSBVAVEKZAVOC-QWHCGFSZSA-N 1 0 323.387 2.385 10 0 DEAERO COc1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1F ZINC000113596043 401783266 /nfs/dbraw/zinc/78/32/66/401783266.db2.gz WGMPMMMUZHJMHI-TZMCWYRMSA-N 1 0 321.396 2.212 10 0 DEAERO CNC(=O)c1cccc(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000113932632 401787972 /nfs/dbraw/zinc/78/79/72/401787972.db2.gz AMPYCUYDZFXNKV-UHFFFAOYSA-N 1 0 312.417 2.155 10 0 DEAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)N(C)C3CC3)C2)cc1 ZINC000076389132 401793608 /nfs/dbraw/zinc/79/36/08/401793608.db2.gz IYOGAYVDXBVBHC-DZGCQCFKSA-N 1 0 302.418 2.494 10 0 DEAERO Cc1ccccc1-c1nc(CN2CC[C@H](C[NH+](C)C)C2)no1 ZINC000128875803 401795811 /nfs/dbraw/zinc/79/58/11/401795811.db2.gz BSXAVWYWOSSUTE-CQSZACIVSA-N 1 0 300.406 2.429 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1COc2ccccc2C1 ZINC000077729990 401827663 /nfs/dbraw/zinc/82/76/63/401827663.db2.gz UISSMDHSUFKBJB-HZPDHXFCSA-N 1 0 304.434 2.330 10 0 DEAERO CCc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)CN2CCOCC2)o1 ZINC000130973312 401842408 /nfs/dbraw/zinc/84/24/08/401842408.db2.gz OOQOSPVGCJNSBD-NVXWUHKLSA-N 1 0 322.449 2.062 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](CC(=O)N(C3CC3)C3CCCC3)C2)cn1 ZINC000116309904 401848375 /nfs/dbraw/zinc/84/83/75/401848375.db2.gz RPPMTHFHEITFEG-AWEZNQCLSA-N 1 0 316.449 2.143 10 0 DEAERO CC1CCC(O)(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)CC1 ZINC000131867768 401857967 /nfs/dbraw/zinc/85/79/67/401857967.db2.gz WQMNPNUQPJCVRA-PQUAAJSLSA-N 1 0 311.466 2.445 10 0 DEAERO Cc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)n1C(C)C ZINC000116792580 401858990 /nfs/dbraw/zinc/85/89/90/401858990.db2.gz SOUFFZHUHZMOOC-HNNXBMFYSA-N 1 0 307.438 2.088 10 0 DEAERO Cc1ccc2[nH]c(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc2c1C ZINC000116792891 401858996 /nfs/dbraw/zinc/85/89/96/401858996.db2.gz LGDAOZLLMYEMQD-CQSZACIVSA-N 1 0 315.417 2.187 10 0 DEAERO C[C@H](SCc1ccccc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116793511 401859188 /nfs/dbraw/zinc/85/91/88/401859188.db2.gz OCWMVFVJVPQTNG-GOEBONIOSA-N 1 0 322.474 2.097 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)CCO1 ZINC000116791672 401859290 /nfs/dbraw/zinc/85/92/90/401859290.db2.gz JTKGZYYYLFOQBH-HNNXBMFYSA-N 1 0 322.836 2.161 10 0 DEAERO Cc1ccc(C)c(SCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000116798207 401859949 /nfs/dbraw/zinc/85/99/49/401859949.db2.gz RFIVXVGUFCVXFV-HNNXBMFYSA-N 1 0 322.474 2.185 10 0 DEAERO CCOCCC1(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000132086147 401861973 /nfs/dbraw/zinc/86/19/73/401861973.db2.gz WXTCGOBHVIKKNV-OAHLLOKOSA-N 1 0 311.470 2.367 10 0 DEAERO O=C(C[NH2+]Cc1cccc(Br)c1)NCc1ccco1 ZINC000030641927 401864672 /nfs/dbraw/zinc/86/46/72/401864672.db2.gz UXDWLDOGSIURHX-UHFFFAOYSA-N 1 0 323.190 2.448 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000114929661 401814987 /nfs/dbraw/zinc/81/49/87/401814987.db2.gz JIHVOHWWZFAFIY-HNNXBMFYSA-N 1 0 319.453 2.175 10 0 DEAERO CCc1cnccc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000119106612 401926201 /nfs/dbraw/zinc/92/62/01/401926201.db2.gz ZDPLCJRLVJYKAC-GJZGRUSLSA-N 1 0 319.449 2.263 10 0 DEAERO COc1ccc(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1O ZINC000079495848 401874528 /nfs/dbraw/zinc/87/45/28/401874528.db2.gz RLVCXUWFRBKTKQ-AWEZNQCLSA-N 1 0 323.437 2.176 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2ccccc2F)CC[N@@H+]1CCOC ZINC000117399232 401876656 /nfs/dbraw/zinc/87/66/56/401876656.db2.gz SQHLPFYCOKNNSB-CYBMUJFWSA-N 1 0 309.385 2.400 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000133609492 401892401 /nfs/dbraw/zinc/89/24/01/401892401.db2.gz ARGISAGQQGUOCF-JKSUJKDBSA-N 1 0 309.454 2.073 10 0 DEAERO Cc1nccn1-c1ccc([C@@H](C)NC(=O)NCC[NH+](C)C)cc1 ZINC000133848854 401895123 /nfs/dbraw/zinc/89/51/23/401895123.db2.gz VYSJQCKVDDIYIF-CYBMUJFWSA-N 1 0 315.421 2.103 10 0 DEAERO COCC[N@@H+](Cc1ccc(C)s1)C[C@@H](O)COC(C)C ZINC000036101016 401902553 /nfs/dbraw/zinc/90/25/53/401902553.db2.gz AFWGTUUHTBSFIJ-CQSZACIVSA-N 1 0 301.452 2.291 10 0 DEAERO [NH3+]CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000036297867 401904595 /nfs/dbraw/zinc/90/45/95/401904595.db2.gz GTFLBKUZRXEVCI-UHFFFAOYSA-N 1 0 317.625 2.274 10 0 DEAERO C[C@H](O)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000118729365 401905897 /nfs/dbraw/zinc/90/58/97/401905897.db2.gz QYJSIMBSNCHAJX-YJBOKZPZSA-N 1 0 316.445 2.270 10 0 DEAERO CN(C)C(=O)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000036846207 401908638 /nfs/dbraw/zinc/90/86/38/401908638.db2.gz CJQVFWISIVPACG-UHFFFAOYSA-N 1 0 311.223 2.373 10 0 DEAERO CC(C)[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000043066804 401936644 /nfs/dbraw/zinc/93/66/44/401936644.db2.gz TWWCESGEQCLTEO-CQSZACIVSA-N 1 0 304.438 2.390 10 0 DEAERO CN1CC[C@H]([N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)C1=O ZINC000134827794 401916508 /nfs/dbraw/zinc/91/65/08/401916508.db2.gz LNMAKLXVHOVMFB-CABCVRRESA-N 1 0 304.365 2.094 10 0 DEAERO O=C(c1csc(Br)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037845347 401917782 /nfs/dbraw/zinc/91/77/82/401917782.db2.gz AKIPMZVAJNLAIS-SNVBAGLBSA-N 1 0 315.236 2.431 10 0 DEAERO Cc1ccc(C)c(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000135752131 401952719 /nfs/dbraw/zinc/95/27/19/401952719.db2.gz BRYIRLUABCCQPZ-KRWDZBQOSA-N 1 0 322.474 2.303 10 0 DEAERO C[C@@H]([NH2+]CCCS(N)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000045067142 401953512 /nfs/dbraw/zinc/95/35/12/401953512.db2.gz ARPOUMSRBJMPJA-MRVPVSSYSA-N 1 0 311.234 2.323 10 0 DEAERO CC(C)CCOCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000045094141 401954441 /nfs/dbraw/zinc/95/44/41/401954441.db2.gz VHZQEQIGYVTAAI-CYBMUJFWSA-N 1 0 314.451 2.047 10 0 DEAERO CC(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)n(C)c1 ZINC000119521487 401956042 /nfs/dbraw/zinc/95/60/42/401956042.db2.gz IAAXVSMBOCOVEK-OAHLLOKOSA-N 1 0 305.422 2.078 10 0 DEAERO CCCNC(=O)c1cccc(NC(=O)[C@H](CCC)[NH+](C)C)c1 ZINC000135993343 401957150 /nfs/dbraw/zinc/95/71/50/401957150.db2.gz DPPOXWAPEUKYBV-HNNXBMFYSA-N 1 0 305.422 2.495 10 0 DEAERO CC(C)(O)CNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119613864 401962201 /nfs/dbraw/zinc/96/22/01/401962201.db2.gz CJZXLEQGWGCBOJ-SFHVURJKSA-N 1 0 319.449 2.111 10 0 DEAERO CC(C)c1cc(C(=O)NCc2ccnc(-n3ccnc3)c2)[nH]n1 ZINC000119742653 401964887 /nfs/dbraw/zinc/96/48/87/401964887.db2.gz VWDIIYZKVKHLIK-UHFFFAOYSA-N 1 0 310.361 2.044 10 0 DEAERO O=C(C[NH+]1CCC(Cn2cccn2)CC1)NC1CCCCC1 ZINC000090473327 401983669 /nfs/dbraw/zinc/98/36/69/401983669.db2.gz MIZYGHHZLQFDMH-UHFFFAOYSA-N 1 0 304.438 2.044 10 0 DEAERO COc1ccc(C[C@@H](C)C[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000090909679 401988516 /nfs/dbraw/zinc/98/85/16/401988516.db2.gz MXSSBIWXMVKTAH-CYBMUJFWSA-N 1 0 305.422 2.007 10 0 DEAERO CN1C(=O)C[C@@H]([NH2+]C2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000090968718 401989948 /nfs/dbraw/zinc/98/99/48/401989948.db2.gz KSXRWEXNXLDGCC-ZBFHGGJFSA-N 1 0 308.809 2.380 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccc2ccccc2c1 ZINC000120451546 401990381 /nfs/dbraw/zinc/99/03/81/401990381.db2.gz HHGFAFYHTNUMCN-GFCCVEGCSA-N 1 0 311.385 2.479 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091318954 401996286 /nfs/dbraw/zinc/99/62/86/401996286.db2.gz MVIZEKFTCVPOCF-GJZGRUSLSA-N 1 0 316.449 2.335 10 0 DEAERO O=C(NCCC[N@@H+]1CCC[C@@H](c2nccs2)C1)C(F)(F)F ZINC000091552683 401996324 /nfs/dbraw/zinc/99/63/24/401996324.db2.gz YJGJJNZRDGAPCF-SNVBAGLBSA-N 1 0 321.368 2.391 10 0 DEAERO COc1ccccc1N1CC[C@@H](N2CCS[C@@H](C)C2)C1=O ZINC000151026478 402011566 /nfs/dbraw/zinc/01/15/66/402011566.db2.gz OGMXMHHNWPQUBE-GXTWGEPZSA-N 1 0 306.431 2.238 10 0 DEAERO CCCCCNC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000151103461 402016343 /nfs/dbraw/zinc/01/63/43/402016343.db2.gz ZYDGBPNFOWUBOF-HNNXBMFYSA-N 1 0 304.438 2.122 10 0 DEAERO CCCC(=O)NCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000094122153 402022672 /nfs/dbraw/zinc/02/26/72/402022672.db2.gz UEWXDEDTFMDNEJ-UHFFFAOYSA-N 1 0 317.433 2.180 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]CC(=O)c2ccccn2)C1 ZINC000095083953 402024436 /nfs/dbraw/zinc/02/44/36/402024436.db2.gz PCYYDNBHNMUGEZ-ZDUSSCGKSA-N 1 0 319.405 2.111 10 0 DEAERO CC(C)[NH2+][C@H](CCO)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095088348 402025487 /nfs/dbraw/zinc/02/54/87/402025487.db2.gz FMMHAUSMNLMLRX-CQSZACIVSA-N 1 0 300.443 2.383 10 0 DEAERO COc1cccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1O ZINC000151272633 402026837 /nfs/dbraw/zinc/02/68/37/402026837.db2.gz ZIBANCMBDCKUHJ-UHFFFAOYSA-N 1 0 318.417 2.491 10 0 DEAERO CC[C@H](C(=O)NCc1ccccc1-n1ccc(C)n1)[NH+](C)C ZINC000121365748 402031764 /nfs/dbraw/zinc/03/17/64/402031764.db2.gz KRDVALOVYKGZGO-OAHLLOKOSA-N 1 0 300.406 2.137 10 0 DEAERO CN(C)C(=O)c1cccc(CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000052441608 402042348 /nfs/dbraw/zinc/04/23/48/402042348.db2.gz CIRFXFXKMXUZIQ-UHFFFAOYSA-N 1 0 315.461 2.449 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000121563186 402044731 /nfs/dbraw/zinc/04/47/31/402044731.db2.gz MDKPKFCNLWKHRH-UPJWGTAASA-N 1 0 324.396 2.121 10 0 DEAERO COc1ccccc1NC(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000121621492 402046640 /nfs/dbraw/zinc/04/66/40/402046640.db2.gz XCNRALJWUFRZSZ-UHFFFAOYSA-N 1 0 319.449 2.297 10 0 DEAERO C[N@H+](CCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)C1CCCC1 ZINC000121756399 402050629 /nfs/dbraw/zinc/05/06/29/402050629.db2.gz MJBHXWJERFINEI-QAPCUYQASA-N 1 0 323.481 2.197 10 0 DEAERO COc1c(F)cc(NC(=O)C2([NH3+])Cc3ccccc3C2)cc1F ZINC000151728285 402053190 /nfs/dbraw/zinc/05/31/90/402053190.db2.gz NEDRODSEEFSLSB-UHFFFAOYSA-N 1 0 318.323 2.408 10 0 DEAERO CCN(C)C(=O)CC[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000091980339 401999888 /nfs/dbraw/zinc/99/98/88/401999888.db2.gz KPLJHBZCQWTORQ-HNNXBMFYSA-N 1 0 321.440 2.373 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000152240424 402084189 /nfs/dbraw/zinc/08/41/89/402084189.db2.gz BDDBKRCLYXDHQD-BRWVUGGUSA-N 1 0 323.481 2.365 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)COCCOc2ccccc2)CC[N@@H+]1C ZINC000122776841 402093862 /nfs/dbraw/zinc/09/38/62/402093862.db2.gz JBXGSOTVKASOLO-JKSUJKDBSA-N 1 0 320.433 2.023 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)N2CCC([N@H+](C)CCCO)CC2)o1 ZINC000153012479 402121743 /nfs/dbraw/zinc/12/17/43/402121743.db2.gz BPLORZMZKITXSS-AWEZNQCLSA-N 1 0 323.437 2.137 10 0 DEAERO CC[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000123232835 402116824 /nfs/dbraw/zinc/11/68/24/402116824.db2.gz DGLKUFULBLHCMH-QGZVFWFLSA-N 1 0 306.406 2.204 10 0 DEAERO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c1 ZINC000123251986 402118190 /nfs/dbraw/zinc/11/81/90/402118190.db2.gz YQPZYEUZNPMDMO-KGLIPLIRSA-N 1 0 305.422 2.016 10 0 DEAERO CCN(CC)C(=O)CCC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000122127218 402063008 /nfs/dbraw/zinc/06/30/08/402063008.db2.gz OXCJJURAKFMHAI-ZDUSSCGKSA-N 1 0 324.387 2.270 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc2ccccc21 ZINC000122160111 402064079 /nfs/dbraw/zinc/06/40/79/402064079.db2.gz VGXMEACXXTXZIA-IUODEOHRSA-N 1 0 304.415 2.116 10 0 DEAERO C[C@@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)[C@H](C)CO ZINC000151902949 402064516 /nfs/dbraw/zinc/06/45/16/402064516.db2.gz OYESNKMWNJKCAV-VXGBXAGGSA-N 1 0 304.390 2.241 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cccc2ccccc21 ZINC000122204436 402066538 /nfs/dbraw/zinc/06/65/38/402066538.db2.gz ZCYNEWLZXWPABR-OLZOCXBDSA-N 1 0 304.415 2.198 10 0 DEAERO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c(C)s1 ZINC000123401785 402126045 /nfs/dbraw/zinc/12/60/45/402126045.db2.gz SCGIXMUEJLYCEE-UHFFFAOYSA-N 1 0 304.481 2.326 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCc2cc(OC)ccc21 ZINC000066196079 402129553 /nfs/dbraw/zinc/12/95/53/402129553.db2.gz XILTZKWBHSMXRH-CYBMUJFWSA-N 1 0 305.422 2.498 10 0 DEAERO C[N@@H+]1CCO[C@@H]2CN(c3ccnc4cc(Cl)ccc43)C[C@@H]21 ZINC000153184057 402131983 /nfs/dbraw/zinc/13/19/83/402131983.db2.gz MSAYLTYGPLSKAJ-JKSUJKDBSA-N 1 0 303.793 2.407 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)Nc2cc(C(C)(C)C)no2)CC[N@@H+]1C ZINC000123618258 402138192 /nfs/dbraw/zinc/13/81/92/402138192.db2.gz YFOLKYKSEJYNBS-QWHCGFSZSA-N 1 0 322.453 2.325 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2cc3cc(OC)ccc3o2)CC1 ZINC000123622076 402138295 /nfs/dbraw/zinc/13/82/95/402138295.db2.gz VHMNRKNQHCTOKS-HNNXBMFYSA-N 1 0 318.417 2.330 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)NCCC2=CCCCC2)CC[N@@H+]1C ZINC000123338736 402122917 /nfs/dbraw/zinc/12/29/17/402122917.db2.gz WKEDNVSNIGFAAN-NVXWUHKLSA-N 1 0 307.482 2.408 10 0 DEAERO CC(C)NC(=O)CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000066875832 402145252 /nfs/dbraw/zinc/14/52/52/402145252.db2.gz UHZPZVZIJVBWFT-UHFFFAOYSA-N 1 0 323.481 2.062 10 0 DEAERO COCCCN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000066983808 402149142 /nfs/dbraw/zinc/14/91/42/402149142.db2.gz KCHGQNUTJLBVMG-UHFFFAOYSA-N 1 0 319.449 2.460 10 0 DEAERO COC(=O)c1cccc(OCC[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000123911448 402153399 /nfs/dbraw/zinc/15/33/99/402153399.db2.gz HFYWTVHHOQBXLQ-HOCLYGCPSA-N 1 0 320.433 2.267 10 0 DEAERO C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000103182579 402180884 /nfs/dbraw/zinc/18/08/84/402180884.db2.gz DCDBCWBFVUFGBF-CJNGLKHVSA-N 1 0 305.422 2.225 10 0 DEAERO CCC[C@@H](C(=O)N[C@H]1CCN(c2ccccc2OC)C1)[NH+](C)C ZINC000153932817 402181122 /nfs/dbraw/zinc/18/11/22/402181122.db2.gz WQSGVBIAZSQMCV-HOCLYGCPSA-N 1 0 319.449 2.120 10 0 DEAERO CCOc1ccc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)cc1CO ZINC000067982710 402181680 /nfs/dbraw/zinc/18/16/80/402181680.db2.gz IWTOVBUEOMREPM-LJQANCHMSA-N 1 0 318.461 2.495 10 0 DEAERO COc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(C)n1 ZINC000124522722 402183722 /nfs/dbraw/zinc/18/37/22/402183722.db2.gz VVHSZQFLLRJDGC-ZDUSSCGKSA-N 1 0 304.394 2.101 10 0 DEAERO COC[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000103433015 402188030 /nfs/dbraw/zinc/18/80/30/402188030.db2.gz YBRYMRXRNQGFER-KBPBESRZSA-N 1 0 310.463 2.359 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccc2c(c1)OCCO2 ZINC000102682216 402170199 /nfs/dbraw/zinc/17/01/99/402170199.db2.gz CLMJNRFCORKSSM-AWEZNQCLSA-N 1 0 318.417 2.367 10 0 DEAERO Cc1cc([C@H](C)NC(=O)NCCCC[NH+]2CCOCC2)c(C)o1 ZINC000067728975 402170613 /nfs/dbraw/zinc/17/06/13/402170613.db2.gz WFSFZEXIPQENRM-AWEZNQCLSA-N 1 0 323.437 2.369 10 0 DEAERO CCC[NH+](CCC)CCCn1c(=O)[nH]c2ccccc2c1=O ZINC000102793474 402172394 /nfs/dbraw/zinc/17/23/94/402172394.db2.gz CXGPHUKWTQEXJZ-UHFFFAOYSA-N 1 0 303.406 2.202 10 0 DEAERO COc1ccccc1C[C@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000153869827 402175936 /nfs/dbraw/zinc/17/59/36/402175936.db2.gz HFHNCRJZVHKKCB-HZPDHXFCSA-N 1 0 302.418 2.371 10 0 DEAERO CC(C)CCOCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106912072 402222275 /nfs/dbraw/zinc/22/22/75/402222275.db2.gz JVEJEPBYCGVIKK-KRWDZBQOSA-N 1 0 306.450 2.338 10 0 DEAERO C[C@H]1CC[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)O1 ZINC000125280305 402223455 /nfs/dbraw/zinc/22/34/55/402223455.db2.gz LWVXCYYJTONQMW-RDJZCZTQSA-N 1 0 302.418 2.288 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000107230752 402227894 /nfs/dbraw/zinc/22/78/94/402227894.db2.gz QQKUDVYYEKKLHJ-HNNXBMFYSA-N 1 0 316.405 2.443 10 0 DEAERO CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cn1 ZINC000154824718 402234541 /nfs/dbraw/zinc/23/45/41/402234541.db2.gz SCLFLGVVSTWCLD-INIZCTEOSA-N 1 0 304.438 2.031 10 0 DEAERO CNC(=O)CCC[N@H+](C)C[C@H](O)COc1ccccc1C(C)C ZINC000154986177 402240439 /nfs/dbraw/zinc/24/04/39/402240439.db2.gz YADMFDCZGOCWMN-HNNXBMFYSA-N 1 0 322.449 2.008 10 0 DEAERO O=C(NCCc1nccs1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107841930 402242078 /nfs/dbraw/zinc/24/20/78/402242078.db2.gz OCOLGEWNQIYBFR-AWEZNQCLSA-N 1 0 322.478 2.346 10 0 DEAERO CC(=O)CC[N@H+](Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000155713815 402265417 /nfs/dbraw/zinc/26/54/17/402265417.db2.gz NLBCNPJYXFGLFZ-MRXNPFEDSA-N 1 0 304.434 2.188 10 0 DEAERO [NH3+]C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1 ZINC000070458559 402261076 /nfs/dbraw/zinc/26/10/76/402261076.db2.gz JAVDWUPIVWBCJT-UHFFFAOYSA-N 1 0 311.364 2.463 10 0 DEAERO O=C(NCCC1=CCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000126125557 402265574 /nfs/dbraw/zinc/26/55/74/402265574.db2.gz IRKYHJZVEKUTQC-QGZVFWFLSA-N 1 0 321.465 2.241 10 0 DEAERO CCc1ccc(-c2cc3c(N4CC[NH2+]CC4)nccn3n2)cc1 ZINC000070459146 402261550 /nfs/dbraw/zinc/26/15/50/402261550.db2.gz CDHRKVYOBXJOLZ-UHFFFAOYSA-N 1 0 307.401 2.368 10 0 DEAERO CNC(=O)[C@@H]([NH2+]Cc1cc(Br)cs1)C(C)C ZINC000125024359 402208958 /nfs/dbraw/zinc/20/89/58/402208958.db2.gz MWHDBNIUSFHIND-JTQLQIEISA-N 1 0 305.241 2.371 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cnccn1 ZINC000126198703 402268808 /nfs/dbraw/zinc/26/88/08/402268808.db2.gz YSNRKOGUUCXRPV-VYDXJSESSA-N 1 0 311.433 2.433 10 0 DEAERO CC(C)CCNC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109391090 402271938 /nfs/dbraw/zinc/27/19/38/402271938.db2.gz MDITVMKLQLVSTG-UHFFFAOYSA-N 1 0 321.469 2.035 10 0 DEAERO CCOc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)cc1 ZINC000110083691 402281243 /nfs/dbraw/zinc/28/12/43/402281243.db2.gz DBHOYSQKXQQOBM-HNNXBMFYSA-N 1 0 321.421 2.318 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)ccc1F ZINC000110086057 402281302 /nfs/dbraw/zinc/28/13/02/402281302.db2.gz CXTKTBXHAWHBFN-ZDUSSCGKSA-N 1 0 309.385 2.366 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCCn2ncnc21 ZINC000176135009 402282931 /nfs/dbraw/zinc/28/29/31/402282931.db2.gz WQMACOHZFUWFKQ-CQSZACIVSA-N 1 0 307.442 2.131 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000176143744 402283593 /nfs/dbraw/zinc/28/35/93/402283593.db2.gz CJWTXBPYLPPEQW-CABCVRRESA-N 1 0 322.453 2.008 10 0 DEAERO O=C(N[C@H]1CCOC2(CCCC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000157251395 402293294 /nfs/dbraw/zinc/29/32/94/402293294.db2.gz LBVFYFYIPUCSAI-HOTGVXAUSA-N 1 0 319.449 2.134 10 0 DEAERO O=C(c1c[nH]nc1-c1ccccc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000176298912 402297759 /nfs/dbraw/zinc/29/77/59/402297759.db2.gz HCQQMABILKNNQJ-LBPRGKRZSA-N 1 0 314.364 2.136 10 0 DEAERO Cc1cccc2[nH]cc(CCNC(=O)N(C)CC[NH+](C)C)c21 ZINC000176321950 402299288 /nfs/dbraw/zinc/29/92/88/402299288.db2.gz IHDDDTRSYTULAT-UHFFFAOYSA-N 1 0 302.422 2.222 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCc3ccccc3C2)C1 ZINC000176333589 402300451 /nfs/dbraw/zinc/30/04/51/402300451.db2.gz OAVBFEVNMLKAJX-HNNXBMFYSA-N 1 0 322.474 2.106 10 0 DEAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC1(C)CCC1 ZINC000176357363 402302656 /nfs/dbraw/zinc/30/26/56/402302656.db2.gz FUKJUHJOXNPIKW-UHFFFAOYSA-N 1 0 317.433 2.302 10 0 DEAERO CN(CC[NH+](C)C)C(=O)NCc1ccccc1OC1CCC1 ZINC000176377520 402304299 /nfs/dbraw/zinc/30/42/99/402304299.db2.gz NLRONNNAZKEQRW-UHFFFAOYSA-N 1 0 305.422 2.321 10 0 DEAERO Cc1cccc(F)c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000184915604 402309076 /nfs/dbraw/zinc/30/90/76/402309076.db2.gz GKGYFCOVXBGPBN-OLZOCXBDSA-N 1 0 314.426 2.237 10 0 DEAERO CC[N@H+](CCNC(=O)N[C@@H](C)COCc1ccccc1)C1CC1 ZINC000176457787 402311121 /nfs/dbraw/zinc/31/11/21/402311121.db2.gz VEDROXCLWBDKQS-HNNXBMFYSA-N 1 0 319.449 2.375 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000176459895 402311726 /nfs/dbraw/zinc/31/17/26/402311726.db2.gz VBSZFTBDQUOZQB-CYBMUJFWSA-N 1 0 310.482 2.220 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C/C=C/c1cccc(F)c1 ZINC000176494513 402314647 /nfs/dbraw/zinc/31/46/47/402314647.db2.gz QLHVRGCHABGJNQ-ZVVFDCPKSA-N 1 0 320.408 2.456 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000225243715 402315666 /nfs/dbraw/zinc/31/56/66/402315666.db2.gz MUQDKZNIHSJXNL-MAZHCROVSA-N 1 0 313.825 2.375 10 0 DEAERO NC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1 ZINC000225515460 402319738 /nfs/dbraw/zinc/31/97/38/402319738.db2.gz QKFQLWXDXNKEAE-SJORKVTESA-N 1 0 314.360 2.233 10 0 DEAERO CN1CCC([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)CC1 ZINC000176830536 402340810 /nfs/dbraw/zinc/34/08/10/402340810.db2.gz WBVCWBJTEMDUOD-UHFFFAOYSA-N 1 0 311.429 2.080 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCOC3(CCCCC3)C2)C1 ZINC000176838667 402341982 /nfs/dbraw/zinc/34/19/82/402341982.db2.gz UVUHOSAREOMBQS-CVEARBPZSA-N 1 0 323.481 2.460 10 0 DEAERO Cc1c(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000229810905 402345602 /nfs/dbraw/zinc/34/56/02/402345602.db2.gz MQNQCPPTISPURD-CQSZACIVSA-N 1 0 308.426 2.218 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000185345268 402345737 /nfs/dbraw/zinc/34/57/37/402345737.db2.gz RFEKSZBGZBTFLD-CQSZACIVSA-N 1 0 322.474 2.464 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1cc(OC)ccc1OC ZINC000176978043 402356353 /nfs/dbraw/zinc/35/63/53/402356353.db2.gz LLNHVJANVMLLIN-OAHLLOKOSA-N 1 0 320.433 2.189 10 0 DEAERO CCn1nc(C)c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1Cl ZINC000176984067 402356714 /nfs/dbraw/zinc/35/67/14/402356714.db2.gz XCPILTPJNXBJEJ-LBPRGKRZSA-N 1 0 312.845 2.421 10 0 DEAERO Clc1ccc(-n2cc(CN3CC[N@@H+]4CCC[C@@H]4C3)nn2)cc1 ZINC000176985642 402357159 /nfs/dbraw/zinc/35/71/59/402357159.db2.gz ZUCHVWNKZGRFTE-MRXNPFEDSA-N 1 0 317.824 2.201 10 0 DEAERO Cc1ccc(Cl)cc1NC(=O)CN1CCCC[C@]1(C)C(N)=O ZINC000185901129 402387674 /nfs/dbraw/zinc/38/76/74/402387674.db2.gz SWAYUYHGGHUBEQ-MRXNPFEDSA-N 1 0 323.824 2.317 10 0 DEAERO CC(C)C[C@@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000185544401 402360181 /nfs/dbraw/zinc/36/01/81/402360181.db2.gz NOBDLZMABKDDOS-HRBLRVMOSA-N 1 0 321.509 2.438 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000177020406 402360413 /nfs/dbraw/zinc/36/04/13/402360413.db2.gz BNCKJMCNLNUZSI-UKRRQHHQSA-N 1 0 315.417 2.055 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000185623074 402365328 /nfs/dbraw/zinc/36/53/28/402365328.db2.gz SPNXXWIWSJFFEF-KBPBESRZSA-N 1 0 301.475 2.011 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000236580257 402366674 /nfs/dbraw/zinc/36/66/74/402366674.db2.gz KODXHTBHJOMSFA-OAHLLOKOSA-N 1 0 308.470 2.188 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]Cc2cccc3nccn32)C12CCOCC2 ZINC000185670477 402368007 /nfs/dbraw/zinc/36/80/07/402368007.db2.gz CSLFGWRXXMDSSV-HOTGVXAUSA-N 1 0 315.417 2.398 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000236700837 402376061 /nfs/dbraw/zinc/37/60/61/402376061.db2.gz QHCZGBBXRANABI-GFCCVEGCSA-N 1 0 324.856 2.195 10 0 DEAERO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000185162041 402329588 /nfs/dbraw/zinc/32/95/88/402329588.db2.gz XWMVKVUOBDNRRD-YPMHNXCESA-N 1 0 316.323 2.260 10 0 DEAERO CCOCC[N@@H+]1CCN(c2ncnc3cccc(C)c32)C[C@@H]1C ZINC000176807221 402339494 /nfs/dbraw/zinc/33/94/94/402339494.db2.gz PWMKABBROLDTMH-HNNXBMFYSA-N 1 0 314.433 2.485 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(-n2cncn2)c(F)c1)[NH+](C)C ZINC000161666850 402395379 /nfs/dbraw/zinc/39/53/79/402395379.db2.gz KCQIDODMVWNSJI-CQSZACIVSA-N 1 0 305.357 2.075 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000177453507 402403955 /nfs/dbraw/zinc/40/39/55/402403955.db2.gz NOGMDNCVPYKJIW-MJBXVCDLSA-N 1 0 322.478 2.101 10 0 DEAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000177454889 402404323 /nfs/dbraw/zinc/40/43/23/402404323.db2.gz HRCGNBHXJOLXCU-DMZKTXOQSA-N 1 0 323.462 2.230 10 0 DEAERO NC(=O)[C@H]([NH2+]CCc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000177471049 402406071 /nfs/dbraw/zinc/40/60/71/402406071.db2.gz NSAKDJBWVAFNTR-OAHLLOKOSA-N 1 0 308.303 2.463 10 0 DEAERO CCC[C@@H](C(=O)NCCOc1ccc(F)c(F)c1)[NH+](C)C ZINC000162033689 402407416 /nfs/dbraw/zinc/40/74/16/402407416.db2.gz MYUSHQQXFRTNIR-AWEZNQCLSA-N 1 0 300.349 2.190 10 0 DEAERO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1nc(C(C)(C)C)no1 ZINC000237528338 402411133 /nfs/dbraw/zinc/41/11/33/402411133.db2.gz IDUHOVNINKZYET-SNVBAGLBSA-N 1 0 302.378 2.317 10 0 DEAERO CCOC(=O)c1nn(C)cc1C[NH2+]CCCc1cccc(F)c1 ZINC000186337363 402422010 /nfs/dbraw/zinc/42/20/10/402422010.db2.gz YYIMOYUQNZPMQT-UHFFFAOYSA-N 1 0 319.380 2.458 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCOc3ccccc32)C[N@@H+]1C1CC1 ZINC000177668704 402424868 /nfs/dbraw/zinc/42/48/68/402424868.db2.gz PGZDBZXFYFXRKM-XJKCOSOUSA-N 1 0 315.417 2.435 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000237908539 402425882 /nfs/dbraw/zinc/42/58/82/402425882.db2.gz FIKWDVIIWZYZCK-QZQCMHJZSA-N 1 0 306.356 2.468 10 0 DEAERO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[C@@H](c2nccs2)C1 ZINC000237931868 402426431 /nfs/dbraw/zinc/42/64/31/402426431.db2.gz UZRFKSNTSKCMSP-OLZOCXBDSA-N 1 0 305.447 2.239 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186472801 402433930 /nfs/dbraw/zinc/43/39/30/402433930.db2.gz PVWHDSWTTDSTEL-GUYCJALGSA-N 1 0 313.401 2.105 10 0 DEAERO C[C@@H](c1nc(-c2cccnc2)no1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177777395 402435417 /nfs/dbraw/zinc/43/54/17/402435417.db2.gz WRIDYCPGCHQRMV-DZGCQCFKSA-N 1 0 313.405 2.363 10 0 DEAERO O=C(c1cc(-c2ccncc2)on1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186494841 402436348 /nfs/dbraw/zinc/43/63/48/402436348.db2.gz LJKIBMFEPCZZJF-ZDUSSCGKSA-N 1 0 312.373 2.093 10 0 DEAERO CCC[C@@H](C(=O)NCc1cccc(N2CC=CC2)c1)[NH+](C)C ZINC000162932162 402436615 /nfs/dbraw/zinc/43/66/15/402436615.db2.gz YMHFGPBZBMWKFB-KRWDZBQOSA-N 1 0 301.434 2.409 10 0 DEAERO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186525044 402438843 /nfs/dbraw/zinc/43/88/43/402438843.db2.gz GWGKLIYYOUSZJO-VXGBXAGGSA-N 1 0 324.371 2.475 10 0 DEAERO CCOc1ccc(OCC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000186528729 402439096 /nfs/dbraw/zinc/43/90/96/402439096.db2.gz ZGPRLFPBICQSDF-AWEZNQCLSA-N 1 0 318.417 2.207 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CCC(=O)NC(C)C)cc1NC(C)=O ZINC000177867979 402441819 /nfs/dbraw/zinc/44/18/19/402441819.db2.gz PQVCKOXRTXCHNG-GFCCVEGCSA-N 1 0 321.421 2.219 10 0 DEAERO C[C@H](C[NH2+]C(C)(C)c1nc2ccccc2n1C)CS(C)(=O)=O ZINC000186574174 402443302 /nfs/dbraw/zinc/44/33/02/402443302.db2.gz SWZGKXNGDVRDRW-GFCCVEGCSA-N 1 0 323.462 2.079 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000163263752 402445873 /nfs/dbraw/zinc/44/58/73/402445873.db2.gz DDVJYPKNQZBVKO-KBXCAEBGSA-N 1 0 319.449 2.406 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)CCCc1nc(C)no1 ZINC000237033940 402392324 /nfs/dbraw/zinc/39/23/24/402392324.db2.gz RHYPFSIISYXHNT-UHFFFAOYSA-N 1 0 302.378 2.449 10 0 DEAERO CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)C1)C1CCCCC1 ZINC000245404541 402456640 /nfs/dbraw/zinc/45/66/40/402456640.db2.gz PPBGAULZCUKGRC-HUUCEWRRSA-N 1 0 324.465 2.441 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000186697001 402456651 /nfs/dbraw/zinc/45/66/51/402456651.db2.gz HWDYJKYHGOPFQN-IINYFYTJSA-N 1 0 318.808 2.458 10 0 DEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)Cc2ccc(F)cc2)C1(C)C ZINC000186706505 402457957 /nfs/dbraw/zinc/45/79/57/402457957.db2.gz YAGZTUKXVIVYJX-PBHICJAKSA-N 1 0 308.397 2.317 10 0 DEAERO COC[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000245425047 402459229 /nfs/dbraw/zinc/45/92/29/402459229.db2.gz DKFCWCHDWDFUAN-ZIAGYGMSSA-N 1 0 309.410 2.141 10 0 DEAERO Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186726589 402460424 /nfs/dbraw/zinc/46/04/24/402460424.db2.gz VFCDKCNFKFWNMK-ONGXEEELSA-N 1 0 305.403 2.439 10 0 DEAERO COc1cccc([C@H]2C[C@H]2C(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000186724976 402460458 /nfs/dbraw/zinc/46/04/58/402460458.db2.gz DOOGIKLTQZKMJB-IAGOWNOFSA-N 1 0 302.418 2.351 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccccc1F ZINC000170662905 402512173 /nfs/dbraw/zinc/51/21/73/402512173.db2.gz RICDAMSMSHBZJJ-ZDUSSCGKSA-N 1 0 314.426 2.120 10 0 DEAERO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)CC1(CO)CC1 ZINC000186768196 402463240 /nfs/dbraw/zinc/46/32/40/402463240.db2.gz IKRRRWIYEZGAMB-GFCCVEGCSA-N 1 0 310.825 2.049 10 0 DEAERO CN(C)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000245492428 402465272 /nfs/dbraw/zinc/46/52/72/402465272.db2.gz JKVDKOBXISBJMG-CVEARBPZSA-N 1 0 302.422 2.453 10 0 DEAERO Cc1ccccc1O[C@@H](C)CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245496491 402466081 /nfs/dbraw/zinc/46/60/81/402466081.db2.gz RMORKUUJKDPKNQ-HOTGVXAUSA-N 1 0 317.433 2.252 10 0 DEAERO CCS(=O)(=O)NCCC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000245530312 402468316 /nfs/dbraw/zinc/46/83/16/402468316.db2.gz XCCJBPJMQPKGLA-GDBMZVCRSA-N 1 0 310.463 2.194 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2ncn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245542260 402469249 /nfs/dbraw/zinc/46/92/49/402469249.db2.gz RELKKXJOQRKXHT-RDJZCZTQSA-N 1 0 313.449 2.429 10 0 DEAERO COc1ccc([C@@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)cc1 ZINC000164968273 402471254 /nfs/dbraw/zinc/47/12/54/402471254.db2.gz HDTFRYVWHAWTIQ-RHSMWYFYSA-N 1 0 320.433 2.229 10 0 DEAERO O[C@@H](C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1)C(F)(F)F ZINC000186938078 402472506 /nfs/dbraw/zinc/47/25/06/402472506.db2.gz GPFNQJRJQBMVAR-ZDUSSCGKSA-N 1 0 321.314 2.118 10 0 DEAERO O=C(NCc1nc(C2CC2)cs1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178229504 402474383 /nfs/dbraw/zinc/47/43/83/402474383.db2.gz JOUVLIAKIUPLFW-UHFFFAOYSA-N 1 0 320.462 2.400 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC000245692029 402480114 /nfs/dbraw/zinc/48/01/14/402480114.db2.gz UTICUUIRGGJNBB-HUUCEWRRSA-N 1 0 302.422 2.203 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccccc1 ZINC000178306215 402482624 /nfs/dbraw/zinc/48/26/24/402482624.db2.gz XYJIPBSOIOZWOT-KRWDZBQOSA-N 1 0 312.417 2.319 10 0 DEAERO C[NH+](C)Cc1cccc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000178326379 402485210 /nfs/dbraw/zinc/48/52/10/402485210.db2.gz IUQAXRSPSKXKJU-ZWKOTPCHSA-N 1 0 310.397 2.136 10 0 DEAERO C[C@H]([NH2+]CCn1cncn1)c1sccc1Br ZINC000167008967 402488666 /nfs/dbraw/zinc/48/86/66/402488666.db2.gz UKKXWLIENIIVSX-QMMMGPOBSA-N 1 0 301.213 2.453 10 0 DEAERO COc1ccc(CC[NH+]2CCN(c3cc(C)[nH]n3)CC2)cc1 ZINC000187259182 402490634 /nfs/dbraw/zinc/49/06/34/402490634.db2.gz OFPGLRRKUOOBQX-UHFFFAOYSA-N 1 0 300.406 2.091 10 0 DEAERO C[C@H]([NH2+]CCc1cc(F)ccc1F)C1CCS(=O)(=O)CC1 ZINC000187274178 402490962 /nfs/dbraw/zinc/49/09/62/402490962.db2.gz GZKIMFXBOVRWOD-NSHDSACASA-N 1 0 317.401 2.310 10 0 DEAERO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000245856473 402490949 /nfs/dbraw/zinc/49/09/49/402490949.db2.gz NOMMCVPZWKSWDS-KBAYOESNSA-N 1 0 316.445 2.273 10 0 DEAERO Cc1nc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)N3CCCCC3)C2)no1 ZINC000245859576 402491968 /nfs/dbraw/zinc/49/19/68/402491968.db2.gz QDLWAYMHDZMJDU-UKRRQHHQSA-N 1 0 320.437 2.034 10 0 DEAERO 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/nfs/dbraw/zinc/52/55/43/402525543.db2.gz PBWIGEDBRLDZLN-HNNXBMFYSA-N 1 0 318.461 2.095 10 0 DEAERO C[NH+](C)CC1(CNC(=O)c2cn3ccnc3s2)CCCC1 ZINC000188799246 402525888 /nfs/dbraw/zinc/52/58/88/402525888.db2.gz WZERGMCXAIOGSU-UHFFFAOYSA-N 1 0 306.435 2.248 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCCc2ccccn2)C1 ZINC000246346314 402526336 /nfs/dbraw/zinc/52/63/36/402526336.db2.gz MDZHWTQOMSFBIP-GOEBONIOSA-N 1 0 304.438 2.042 10 0 DEAERO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3C[C@@H]3C)CC2)cc1 ZINC000170806330 402527387 /nfs/dbraw/zinc/52/73/87/402527387.db2.gz XDDGMYDJLITWKH-YOEHRIQHSA-N 1 0 317.433 2.321 10 0 DEAERO CCOC[C@@H](O)C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000178710117 402529331 /nfs/dbraw/zinc/52/93/31/402529331.db2.gz ILDWKTFKSMHFAI-LRDDRELGSA-N 1 0 321.396 2.368 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C12CCC2 ZINC000246407577 402529362 /nfs/dbraw/zinc/52/93/62/402529362.db2.gz RVKHCZCIFWRSSD-XUWVNRHRSA-N 1 0 321.465 2.212 10 0 DEAERO C[C@H](OCCCNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000170826974 402529857 /nfs/dbraw/zinc/52/98/57/402529857.db2.gz DLXLAZCPOOLRNG-DOTOQJQBSA-N 1 0 319.449 2.500 10 0 DEAERO C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000170823112 402529869 /nfs/dbraw/zinc/52/98/69/402529869.db2.gz XFANSWLDYDGKMG-BBRMVZONSA-N 1 0 315.417 2.136 10 0 DEAERO Cc1cc(-n2c(C)cc(C(=O)N3CC[C@H]([NH+](C)C)C3)c2C)no1 ZINC000170856787 402533590 /nfs/dbraw/zinc/53/35/90/402533590.db2.gz HWZOPCDHBQPSBY-AWEZNQCLSA-N 1 0 316.405 2.167 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC000170858594 402533610 /nfs/dbraw/zinc/53/36/10/402533610.db2.gz DQJGJVKASWPPOA-GXTWGEPZSA-N 1 0 308.809 2.054 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C1 ZINC000170860207 402533625 /nfs/dbraw/zinc/53/36/25/402533625.db2.gz YRURTJOVYQRVET-KRWDZBQOSA-N 1 0 314.429 2.301 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000246494244 402533853 /nfs/dbraw/zinc/53/38/53/402533853.db2.gz IOONHVGEYUVELJ-QBPKDAKJSA-N 1 0 323.481 2.460 10 0 DEAERO Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)n1 ZINC000170862381 402534448 /nfs/dbraw/zinc/53/44/48/402534448.db2.gz PESYGZYFUHKFHV-QGZVFWFLSA-N 1 0 312.417 2.265 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCOCC(C)C)[C@@H](C)C1 ZINC000246577378 402536810 /nfs/dbraw/zinc/53/68/10/402536810.db2.gz ZEESSSWMWYDMQK-JKSUJKDBSA-N 1 0 313.486 2.421 10 0 DEAERO CCCn1nc(C)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000246600334 402538185 /nfs/dbraw/zinc/53/81/85/402538185.db2.gz UJBDBCSHGZNPIC-WFASDCNBSA-N 1 0 306.454 2.465 10 0 DEAERO O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)N1CCC([NH+]2CCCC2)CC1 ZINC000246609061 402538231 /nfs/dbraw/zinc/53/82/31/402538231.db2.gz UNQBUOXSUPDBJA-GVDBMIGSSA-N 1 0 321.465 2.214 10 0 DEAERO CC[C@@H]1CN(C(=O)CCc2cccc(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000246676087 402540313 /nfs/dbraw/zinc/54/03/13/402540313.db2.gz ANIXMKRBKXISLC-FUHWJXTLSA-N 1 0 318.461 2.231 10 0 DEAERO CC(C)n1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000190172804 402581135 /nfs/dbraw/zinc/58/11/35/402581135.db2.gz BXZPBLZUNHLRGI-QGZVFWFLSA-N 1 0 314.433 2.367 10 0 DEAERO Cc1nn(C)c(C)c1CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000171432012 402587193 /nfs/dbraw/zinc/58/71/93/402587193.db2.gz KGHHMWXPHHTDOT-QGZVFWFLSA-N 1 0 320.481 2.206 10 0 DEAERO CC(C)n1cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cn1 ZINC000179392988 402588681 /nfs/dbraw/zinc/58/86/81/402588681.db2.gz RIQDXWKGZWNAEB-QGZVFWFLSA-N 1 0 306.454 2.151 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000248460017 402592040 /nfs/dbraw/zinc/59/20/40/402592040.db2.gz RZJHIKURQCDLKA-KLHDSHLOSA-N 1 0 311.470 2.052 10 0 DEAERO COc1cccc([C@H]2C[C@@H]2C(=O)NCCC[NH+]2CCCC2)c1 ZINC000171533349 402592204 /nfs/dbraw/zinc/59/22/04/402592204.db2.gz POMQCJFHRNHFLX-SJORKVTESA-N 1 0 302.418 2.401 10 0 DEAERO CC[C@H]1CN(C(=O)NCC2(C)CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000248500449 402593963 /nfs/dbraw/zinc/59/39/63/402593963.db2.gz SRZMJBAFBMPTNE-GJZGRUSLSA-N 1 0 311.470 2.053 10 0 DEAERO Cc1cc2c(cc1C)[C@H](C(=O)N1C[C@H]3CCC[N@H+]3C[C@H]1C)CO2 ZINC000248584753 402597662 /nfs/dbraw/zinc/59/76/62/402597662.db2.gz VCUYQHFILUWAAI-BFYDXBDKSA-N 1 0 314.429 2.475 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCO[C@H]2CC(C)C)C1 ZINC000248612998 402598814 /nfs/dbraw/zinc/59/88/14/402598814.db2.gz YDXULGSEOFAALO-JYJNAYRXSA-N 1 0 311.470 2.364 10 0 DEAERO Cn1cc(CN2CCC[N@@H+](C3CC3)CC2)c(-c2ccncc2)n1 ZINC000179732777 402598948 /nfs/dbraw/zinc/59/89/48/402598948.db2.gz VZFSXZITVIKPHR-UHFFFAOYSA-N 1 0 311.433 2.152 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCCOC1)c1ccco1 ZINC000171602221 402600133 /nfs/dbraw/zinc/60/01/33/402600133.db2.gz GOONAAWNZWRBTN-UONOGXRCSA-N 1 0 309.410 2.141 10 0 DEAERO COC(C)(C)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000171604493 402600165 /nfs/dbraw/zinc/60/01/65/402600165.db2.gz JLWLNEFQKLRAQM-UHFFFAOYSA-N 1 0 308.422 2.058 10 0 DEAERO CCSCc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)no1 ZINC000248638233 402600504 /nfs/dbraw/zinc/60/05/04/402600504.db2.gz MBADHQUAKGPNEK-RYUDHWBXSA-N 1 0 311.451 2.482 10 0 DEAERO O=C(N[C@@H]1CCCOC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171610449 402600736 /nfs/dbraw/zinc/60/07/36/402600736.db2.gz CCPRIFCFFIIYAN-DLBZAZTESA-N 1 0 323.481 2.463 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1COc2ccccc2C1 ZINC000171609402 402600788 /nfs/dbraw/zinc/60/07/88/402600788.db2.gz OECKWKNTEGTOHA-MSOLQXFVSA-N 1 0 324.424 2.279 10 0 DEAERO O=C(NCc1ccccn1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171677902 402608196 /nfs/dbraw/zinc/60/81/96/402608196.db2.gz OOBJVHGANIHSOW-INIZCTEOSA-N 1 0 302.422 2.242 10 0 DEAERO CSCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190584106 402611451 /nfs/dbraw/zinc/61/14/51/402611451.db2.gz RMASFFLLHOJIMY-HNNXBMFYSA-N 1 0 307.463 2.115 10 0 DEAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2CCC(C(=O)OC)CC2)C1 ZINC000180276328 402611999 /nfs/dbraw/zinc/61/19/99/402611999.db2.gz HBSSTRVQXTZYDV-FHERZECASA-N 1 0 324.465 2.156 10 0 DEAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C[C@H](C)O)[C@H](C)CO)s1 ZINC000248906445 402613960 /nfs/dbraw/zinc/61/39/60/402613960.db2.gz HZYSECQLWCUXNA-SFYZADRCSA-N 1 0 312.357 2.034 10 0 DEAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC2CCCC2)C1 ZINC000190678852 402617833 /nfs/dbraw/zinc/61/78/33/402617833.db2.gz LXIUGVXXIIRDEN-INIZCTEOSA-N 1 0 316.449 2.488 10 0 DEAERO CCc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000249140131 402621729 /nfs/dbraw/zinc/62/17/29/402621729.db2.gz FNITWOFKRXTLOX-XJKSGUPXSA-N 1 0 317.433 2.129 10 0 DEAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000249131229 402621732 /nfs/dbraw/zinc/62/17/32/402621732.db2.gz DQWPMCVCUGXHMI-QLFBSQMISA-N 1 0 311.470 2.364 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)CC2 ZINC000180632788 402622183 /nfs/dbraw/zinc/62/21/83/402622183.db2.gz QXVIYPHOMHHBJB-TZMCWYRMSA-N 1 0 302.426 2.284 10 0 DEAERO CCc1nc([C@@H](C)NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000171780346 402622163 /nfs/dbraw/zinc/62/21/63/402622163.db2.gz SXFGEBPVVPOZTJ-VXGBXAGGSA-N 1 0 308.451 2.256 10 0 DEAERO CSc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)o1 ZINC000171805035 402623408 /nfs/dbraw/zinc/62/34/08/402623408.db2.gz GSJHVFZGVUEHTH-LBPRGKRZSA-N 1 0 324.446 2.327 10 0 DEAERO COCCN1CCC[N@@H+]([C@@H]2CCCc3ccccc32)CC1=O ZINC000190805885 402623862 /nfs/dbraw/zinc/62/38/62/402623862.db2.gz QLHBIDVVCJWYFD-QGZVFWFLSA-N 1 0 302.418 2.245 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc3n[nH]nc32)[C@H]1c1ccccc1 ZINC000249453910 402630056 /nfs/dbraw/zinc/63/00/56/402630056.db2.gz CWVIDUBXQWDRBB-NVXWUHKLSA-N 1 0 321.384 2.133 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2nc(C(C)(C)C)cs2)[C@H](C)C1 ZINC000249483677 402630833 /nfs/dbraw/zinc/63/08/33/402630833.db2.gz CDFCNKVNOCZLDN-OLZOCXBDSA-N 1 0 311.495 2.328 10 0 DEAERO CCOCc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171900749 402632744 /nfs/dbraw/zinc/63/27/44/402632744.db2.gz NSPSRDNLVMKTCJ-KRWDZBQOSA-N 1 0 317.433 2.213 10 0 DEAERO c1nnc([C@@H]2CCCN(CCC[NH+]3CCCC3)C2)n1C1CC1 ZINC000180868635 402628912 /nfs/dbraw/zinc/62/89/12/402628912.db2.gz DQYLMCXRDUYULX-OAHLLOKOSA-N 1 0 303.454 2.278 10 0 DEAERO Cc1csc2nc(C[N@@H+](C)[C@@]3(CO)CC[C@@H](C)C3)cc(=O)n12 ZINC000249555827 402634733 /nfs/dbraw/zinc/63/47/33/402634733.db2.gz JRMJLTSUFSGYTE-BZNIZROVSA-N 1 0 321.446 2.047 10 0 DEAERO Cc1cccc(CNC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c1 ZINC000249600502 402636198 /nfs/dbraw/zinc/63/61/98/402636198.db2.gz YAOUZNVINIJVRE-QAPCUYQASA-N 1 0 304.434 2.094 10 0 DEAERO OC[C@@H]1C[N@H+](C[C@H](O)c2ccccc2)C[C@H]1c1ccsc1 ZINC000249543771 402634098 /nfs/dbraw/zinc/63/40/98/402634098.db2.gz FSBBOAYXKFMURG-ULQDDVLXSA-N 1 0 303.427 2.489 10 0 DEAERO C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000249689779 402638665 /nfs/dbraw/zinc/63/86/65/402638665.db2.gz PCYNYYQFTKHMIB-MAZHCROVSA-N 1 0 323.412 2.295 10 0 DEAERO CCOC(=O)[C@H](Cc1ccccc1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000249852889 402643005 /nfs/dbraw/zinc/64/30/05/402643005.db2.gz PSGIMLDIQOZFRR-NJAFHUGGSA-N 1 0 318.461 2.479 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCc2ccccc2C)CC[C@H]1C ZINC000251693037 402649369 /nfs/dbraw/zinc/64/93/69/402649369.db2.gz JOEMNRJUBQVNDP-SOLBZPMBSA-N 1 0 318.461 2.399 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccncc2C)[C@@H](C)C1 ZINC000251714169 402649389 /nfs/dbraw/zinc/64/93/89/402649389.db2.gz KVVCRDCTVGRPAA-GOEBONIOSA-N 1 0 304.438 2.262 10 0 DEAERO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347708 402651502 /nfs/dbraw/zinc/65/15/02/402651502.db2.gz ZLVOTUHCMPCTPD-ZDUSSCGKSA-N 1 0 312.417 2.154 10 0 DEAERO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347709 402651538 /nfs/dbraw/zinc/65/15/38/402651538.db2.gz ZLVOTUHCMPCTPD-CYBMUJFWSA-N 1 0 312.417 2.154 10 0 DEAERO CCOC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC000191245909 402654056 /nfs/dbraw/zinc/65/40/56/402654056.db2.gz IRWVSQFIIOZDBW-HZPDHXFCSA-N 1 0 313.486 2.467 10 0 DEAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000191275898 402656437 /nfs/dbraw/zinc/65/64/37/402656437.db2.gz ILJXZJMDBOBEDE-RYUDHWBXSA-N 1 0 310.825 2.190 10 0 DEAERO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000182608924 402703734 /nfs/dbraw/zinc/70/37/34/402703734.db2.gz DWMHUKLSNMXXBY-CHWSQXEVSA-N 1 0 320.433 2.312 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000173745249 402710428 /nfs/dbraw/zinc/71/04/28/402710428.db2.gz JVRVUUJGBDTJOS-AWEZNQCLSA-N 1 0 302.397 2.395 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1F ZINC000173886413 402716760 /nfs/dbraw/zinc/71/67/60/402716760.db2.gz XJIJKOCGFHLKOG-SWLSCSKDSA-N 1 0 314.426 2.141 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000173887088 402717619 /nfs/dbraw/zinc/71/76/19/402717619.db2.gz MPQNRQDVULWLHO-GXTWGEPZSA-N 1 0 314.426 2.141 10 0 DEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000252733962 402660738 /nfs/dbraw/zinc/66/07/38/402660738.db2.gz XPVSIBIWWVCYEY-HLLBOEOZSA-N 1 0 319.449 2.374 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](SC)c1ccccc1 ZINC000172540965 402661748 /nfs/dbraw/zinc/66/17/48/402661748.db2.gz ZLBPYKBYXDHISR-JKSUJKDBSA-N 1 0 322.474 2.318 10 0 DEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000253353937 402662507 /nfs/dbraw/zinc/66/25/07/402662507.db2.gz XGKXYEMRBBIDPN-INMHGKMJSA-N 1 0 304.434 2.438 10 0 DEAERO CC(C)CC[C@@](C)(O)CNC(=O)NCCC[NH+]1CCCCC1 ZINC000172596335 402665254 /nfs/dbraw/zinc/66/52/54/402665254.db2.gz OWZSFSULVYDZRA-QGZVFWFLSA-N 1 0 313.486 2.349 10 0 DEAERO Cc1sc2[nH]c(CN3CC[N@@H+]4CCC[C@H]4C3)nc(=O)c2c1C ZINC000253555853 402668594 /nfs/dbraw/zinc/66/85/94/402668594.db2.gz YNRFBVACVZNULD-LBPRGKRZSA-N 1 0 318.446 2.294 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([S@@](C)=O)cc1 ZINC000253550077 402668795 /nfs/dbraw/zinc/66/87/95/402668795.db2.gz YNBUQIWYNUDOIW-DOQJBMMISA-N 1 0 320.458 2.123 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2snnc2C(C)(C)C)CC[N@@H+]1C ZINC000191430453 402669100 /nfs/dbraw/zinc/66/91/00/402669100.db2.gz WBLBSSHDQUHTGI-GHMZBOCLSA-N 1 0 310.467 2.390 10 0 DEAERO COc1cc([C@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)ccn1 ZINC000566474752 292245624 /nfs/dbraw/zinc/24/56/24/292245624.db2.gz HYJUAEFIYODFEO-ZDUSSCGKSA-N 1 0 308.422 2.309 10 0 DEAERO CC[C@H](C(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000172744524 402673043 /nfs/dbraw/zinc/67/30/43/402673043.db2.gz YABHNLZFCZZQTK-IRXDYDNUSA-N 1 0 302.418 2.113 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C/C=C\c1cccc(F)c1 ZINC000255006659 402675078 /nfs/dbraw/zinc/67/50/78/402675078.db2.gz QLHVRGCHABGJNQ-GPCFVJJQSA-N 1 0 320.408 2.456 10 0 DEAERO O=C(C/C=C\c1cccc(F)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000255017302 402675984 /nfs/dbraw/zinc/67/59/84/402675984.db2.gz CKOOVHWEKAJQHX-XTKXOIQPSA-N 1 0 320.408 2.192 10 0 DEAERO C[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)C(C)(C)C[NH+](C)C ZINC000173046824 402684141 /nfs/dbraw/zinc/68/41/41/402684141.db2.gz FSIJISHIOZVDDA-GFCCVEGCSA-N 1 0 324.469 2.392 10 0 DEAERO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000191650907 402684115 /nfs/dbraw/zinc/68/41/15/402684115.db2.gz ZIIRZLJLUXSLFH-RBUKOAKNSA-N 1 0 321.461 2.437 10 0 DEAERO COc1ccccc1CCCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000182440962 402690505 /nfs/dbraw/zinc/69/05/05/402690505.db2.gz ALXXJMDFQCFQNE-JKSUJKDBSA-N 1 0 306.450 2.015 10 0 DEAERO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3ccccc3F)C2)CC1 ZINC000173286265 402690644 /nfs/dbraw/zinc/69/06/44/402690644.db2.gz RLLNKBVFFGMOHH-HNNXBMFYSA-N 1 0 319.424 2.068 10 0 DEAERO Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000173351706 402693779 /nfs/dbraw/zinc/69/37/79/402693779.db2.gz SDCGNHHCTOSBLE-GVZPALNKSA-N 1 0 318.465 2.337 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000173373352 402694447 /nfs/dbraw/zinc/69/44/47/402694447.db2.gz QWPRTOMIAFCSMT-CQSZACIVSA-N 1 0 309.410 2.094 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)NCCCCC2CCCC2)CCO1 ZINC000173460793 402698334 /nfs/dbraw/zinc/69/83/34/402698334.db2.gz GAXYIAJCNBKHIE-INIZCTEOSA-N 1 0 311.470 2.319 10 0 DEAERO CCO[C@H]1C[C@@H]([N@H+](C)CCCN2CCOCC2)C12CCCC2 ZINC000173522847 402701280 /nfs/dbraw/zinc/70/12/80/402701280.db2.gz VRIYRFPNGUYJEV-SJORKVTESA-N 1 0 310.482 2.378 10 0 DEAERO Cc1cc(CN2CCC(N(C)CC(=O)OC(C)(C)C)CC2)no1 ZINC000191982068 402701830 /nfs/dbraw/zinc/70/18/30/402701830.db2.gz DGBGKEZPMAPUPI-UHFFFAOYSA-N 1 0 323.437 2.221 10 0 DEAERO C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCCC3CC3)CC2)C[C@H](C)O1 ZINC000174057331 402725298 /nfs/dbraw/zinc/72/52/98/402725298.db2.gz LCMWORUHLGZQPN-GASCZTMLSA-N 1 0 323.481 2.317 10 0 DEAERO CN1CC[NH+]([C@H]2CCCCN(Cc3cccc(Cl)n3)C2)CC1 ZINC000182909682 402726413 /nfs/dbraw/zinc/72/64/13/402726413.db2.gz ZPDORLPDECUTIJ-INIZCTEOSA-N 1 0 322.884 2.337 10 0 DEAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000182922606 402727295 /nfs/dbraw/zinc/72/72/95/402727295.db2.gz MISKYXGRRBVNBE-SUMWQHHRSA-N 1 0 316.376 2.154 10 0 DEAERO C[C@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[C@@H](C)CO1 ZINC000182935351 402728350 /nfs/dbraw/zinc/72/83/50/402728350.db2.gz DJZRINGNGLTRAV-STQMWFEESA-N 1 0 323.412 2.206 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)C1 ZINC000262636055 402728564 /nfs/dbraw/zinc/72/85/64/402728564.db2.gz NABLVOZWPKLBKN-IACUBPJLSA-N 1 0 322.380 2.449 10 0 DEAERO CN1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)c2ccccc21 ZINC000174189626 402731130 /nfs/dbraw/zinc/73/11/30/402731130.db2.gz VWEXMCCRQCYGBY-OAHLLOKOSA-N 1 0 301.434 2.068 10 0 DEAERO CCc1nc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cs1 ZINC000174248324 402733990 /nfs/dbraw/zinc/73/39/90/402733990.db2.gz SJXRMVXYPNVBKI-ZDUSSCGKSA-N 1 0 322.478 2.333 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1nc(COC)cs1 ZINC000174367530 402737876 /nfs/dbraw/zinc/73/78/76/402737876.db2.gz RMBKULCCLGTBMH-JTQLQIEISA-N 1 0 300.428 2.141 10 0 DEAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2CC2)cc1 ZINC000183147732 402742640 /nfs/dbraw/zinc/74/26/40/402742640.db2.gz WMIXNIXRKBVHPD-CYBMUJFWSA-N 1 0 312.417 2.452 10 0 DEAERO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183152677 402743404 /nfs/dbraw/zinc/74/34/04/402743404.db2.gz KAFZJCUNAKNXIT-ZWNOBZJWSA-N 1 0 312.797 2.444 10 0 DEAERO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccccn1)c1cccnc1 ZINC000174687926 402752045 /nfs/dbraw/zinc/75/20/45/402752045.db2.gz QWCOUIBBTQWITL-OAHLLOKOSA-N 1 0 312.417 2.171 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(C(C)(C)c2cccc(F)c2)n1 ZINC000263270722 402752533 /nfs/dbraw/zinc/75/25/33/402752533.db2.gz SEHNYUDMINDVFA-CYBMUJFWSA-N 1 0 304.369 2.111 10 0 DEAERO COCC[N@@H+]1CCN(c2ccc3cc(OC)ccc3n2)C[C@H]1C ZINC000174735223 402754494 /nfs/dbraw/zinc/75/44/94/402754494.db2.gz PCSMTYNIHFRNCJ-CQSZACIVSA-N 1 0 315.417 2.400 10 0 DEAERO O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)C1C[NH2+]C1 ZINC000263315691 402757847 /nfs/dbraw/zinc/75/78/47/402757847.db2.gz QGVWKKLFUAYJCP-UHFFFAOYSA-N 1 0 315.417 2.041 10 0 DEAERO C[C@H](O)CC[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000174792966 402758069 /nfs/dbraw/zinc/75/80/69/402758069.db2.gz MONFQVMHKPWQNC-QWRGUYRKSA-N 1 0 322.232 2.436 10 0 DEAERO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccnn2C)C1 ZINC000192952883 402758196 /nfs/dbraw/zinc/75/81/96/402758196.db2.gz BVWNHYRVIXVGBL-ZIAGYGMSSA-N 1 0 300.406 2.358 10 0 DEAERO O=C(NC[C@@H]1CCc2ccccc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174836306 402759772 /nfs/dbraw/zinc/75/97/72/402759772.db2.gz VLGFTNZNABXFLT-DLBZAZTESA-N 1 0 311.429 2.372 10 0 DEAERO Cc1nn(-c2ccccc2)cc1CCCNC(=O)CC[C@H](C)[NH3+] ZINC000193202909 402767958 /nfs/dbraw/zinc/76/79/58/402767958.db2.gz ITMMXPPQGFRUNA-AWEZNQCLSA-N 1 0 314.433 2.357 10 0 DEAERO CC(C)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1=O ZINC000174986837 402769261 /nfs/dbraw/zinc/76/92/61/402769261.db2.gz KKKIYKKKQKWWTD-GXTWGEPZSA-N 1 0 304.390 2.465 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000183457271 402769502 /nfs/dbraw/zinc/76/95/02/402769502.db2.gz WMQGBJVSCWZAJS-UHFFFAOYSA-N 1 0 310.401 2.110 10 0 DEAERO COC(=O)c1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000175000419 402770309 /nfs/dbraw/zinc/77/03/09/402770309.db2.gz GWXVOZNAQUFPQQ-WFASDCNBSA-N 1 0 319.405 2.420 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cccc(F)c1 ZINC000175055659 402775315 /nfs/dbraw/zinc/77/53/15/402775315.db2.gz ONZCSIHTTXLEHG-HZPDHXFCSA-N 1 0 305.397 2.323 10 0 DEAERO COC[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000193677664 402775482 /nfs/dbraw/zinc/77/54/82/402775482.db2.gz OUBOCTUXUDMSDM-SMDDNHRTSA-N 1 0 319.854 2.298 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)N(C)CCO3)C1 ZINC000175094995 402778705 /nfs/dbraw/zinc/77/87/05/402778705.db2.gz FJZNFCIVLBPBFY-CQSZACIVSA-N 1 0 318.421 2.121 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C)c2Cl)C1 ZINC000175103817 402779717 /nfs/dbraw/zinc/77/97/17/402779717.db2.gz YMKRSZTYWUPDOR-GFCCVEGCSA-N 1 0 323.824 2.187 10 0 DEAERO Cc1cc2c(cc1C)O[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)C2 ZINC000262192911 402722861 /nfs/dbraw/zinc/72/28/61/402722861.db2.gz ZSZHKRHYNCCPJH-JKSUJKDBSA-N 1 0 302.418 2.193 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1coc(Br)c1 ZINC000262303373 402723903 /nfs/dbraw/zinc/72/39/03/402723903.db2.gz LMUANNNXWXASPD-SCZZXKLOSA-N 1 0 301.184 2.384 10 0 DEAERO COc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(C)C ZINC000195314361 402841860 /nfs/dbraw/zinc/84/18/60/402841860.db2.gz PWFJBDVQEGTURB-HNNXBMFYSA-N 1 0 318.417 2.403 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2-n2cccn2)C1 ZINC000194341345 402792842 /nfs/dbraw/zinc/79/28/42/402792842.db2.gz LPDYDDZYBPIRTM-CQSZACIVSA-N 1 0 313.405 2.478 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OCCOC)cc2)C1 ZINC000194335964 402793075 /nfs/dbraw/zinc/79/30/75/402793075.db2.gz IUAGBTDDEMVEHJ-OAHLLOKOSA-N 1 0 321.421 2.318 10 0 DEAERO COC[C@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000175278200 402793233 /nfs/dbraw/zinc/79/32/33/402793233.db2.gz DKFCWCHDWDFUAN-KBPBESRZSA-N 1 0 309.410 2.141 10 0 DEAERO O=C(NCCC[C@@H]1CCCCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000184415885 402842263 /nfs/dbraw/zinc/84/22/63/402842263.db2.gz NCOQAUDNONAWNA-CVEARBPZSA-N 1 0 309.454 2.215 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nccn1CC(F)(F)F ZINC000175359268 402800159 /nfs/dbraw/zinc/80/01/59/402800159.db2.gz UAAJLRLQZOGZGL-LBPRGKRZSA-N 1 0 304.360 2.362 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000194640494 402807539 /nfs/dbraw/zinc/80/75/39/402807539.db2.gz HCNLUXLGUZVGKK-QGZVFWFLSA-N 1 0 312.417 2.146 10 0 DEAERO C[C@@H](C(=O)NCc1cccnc1N(C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000194666195 402809269 /nfs/dbraw/zinc/80/92/69/402809269.db2.gz XYJPIEUFHKLRFM-MCIONIFRSA-N 1 0 304.438 2.025 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000175925619 402843262 /nfs/dbraw/zinc/84/32/62/402843262.db2.gz KDMCBYZXHDYMLM-KFWWJZLASA-N 1 0 306.454 2.417 10 0 DEAERO CCN(CC)C(=O)C[C@H](C)[NH2+]CC[C@H]1c2ccccc2NC1=O ZINC000194815385 402817088 /nfs/dbraw/zinc/81/70/88/402817088.db2.gz MJBJPAZYKJDLPI-ZFWWWQNUSA-N 1 0 317.433 2.349 10 0 DEAERO Cc1ccc([C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CCO2)o1 ZINC000184112032 402819561 /nfs/dbraw/zinc/81/95/61/402819561.db2.gz ZNKRGJFUVYMECC-INIZCTEOSA-N 1 0 315.373 2.263 10 0 DEAERO CC(C)Oc1nccnc1N1CCC(OCCC[NH+](C)C)CC1 ZINC000184131110 402821166 /nfs/dbraw/zinc/82/11/66/402821166.db2.gz VCZGMOFMSPRYBF-UHFFFAOYSA-N 1 0 322.453 2.201 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000194894764 402821838 /nfs/dbraw/zinc/82/18/38/402821838.db2.gz AVYYHTPMMGXLLG-CZUORRHYSA-N 1 0 318.421 2.094 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(O)c1 ZINC000194901088 402821865 /nfs/dbraw/zinc/82/18/65/402821865.db2.gz OWFWVWTXUWZTAG-UKRRQHHQSA-N 1 0 300.406 2.445 10 0 DEAERO c1ccc(-c2nnc(CN3CC[N@@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000184208999 402827258 /nfs/dbraw/zinc/82/72/58/402827258.db2.gz HNQKZGXXZVFRNL-CQSZACIVSA-N 1 0 300.431 2.485 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc([S@@](C)=O)cc2)C1 ZINC000175770689 402831082 /nfs/dbraw/zinc/83/10/82/402831082.db2.gz ZKPJGAKUEAYYPM-JLCFBVMHSA-N 1 0 323.462 2.372 10 0 DEAERO CCCCOC[C@H](O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000195200155 402836517 /nfs/dbraw/zinc/83/65/17/402836517.db2.gz RAONSZQYCVNEIX-IEBWSBKVSA-N 1 0 319.445 2.338 10 0 DEAERO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C(=O)NC)C(C)C ZINC000183640252 402784371 /nfs/dbraw/zinc/78/43/71/402784371.db2.gz LLQXVXDTMDZJFE-INIZCTEOSA-N 1 0 319.449 2.110 10 0 DEAERO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000195501650 402847520 /nfs/dbraw/zinc/84/75/20/402847520.db2.gz ANGDBWVBKYROJX-KGLIPLIRSA-N 1 0 306.454 2.386 10 0 DEAERO Cn1nccc1C1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000195501926 402847577 /nfs/dbraw/zinc/84/75/77/402847577.db2.gz GWBCFELSNKBONL-KRWDZBQOSA-N 1 0 303.381 2.472 10 0 DEAERO CCn1cc(C2CC[NH+](CC(=O)N3CCCCC3)CC2)cn1 ZINC000195500595 402847589 /nfs/dbraw/zinc/84/75/89/402847589.db2.gz OHSOERKYLFBOHB-UHFFFAOYSA-N 1 0 304.438 2.095 10 0 DEAERO CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502686 402847640 /nfs/dbraw/zinc/84/76/40/402847640.db2.gz IIIOLOUAKXNYSV-INIZCTEOSA-N 1 0 318.465 2.391 10 0 DEAERO CCn1cnnc1[C@H]1CCC[N@H+](CCOCC(F)(F)F)C1 ZINC000195520296 402850434 /nfs/dbraw/zinc/85/04/34/402850434.db2.gz CWOABNOMCPGBCJ-NSHDSACASA-N 1 0 306.332 2.056 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000278975896 402892514 /nfs/dbraw/zinc/89/25/14/402892514.db2.gz JKYFGQJILZJNLU-DOTOQJQBSA-N 1 0 317.433 2.272 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000278046401 403282339 /nfs/dbraw/zinc/28/23/39/403282339.db2.gz XURUPXNGVSGSIL-MQIPJXDCSA-N 1 0 304.390 2.231 10 0 DEAERO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+]1CCCC1(C)C ZINC000343003201 403425421 /nfs/dbraw/zinc/42/54/21/403425421.db2.gz MGHFDUPDWDSMKO-INIZCTEOSA-N 1 0 302.418 2.177 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000345785254 403483683 /nfs/dbraw/zinc/48/36/83/403483683.db2.gz KXCXXJAHVYRMGZ-INIZCTEOSA-N 1 0 320.433 2.361 10 0 DEAERO CCc1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)n2ncnc2n1 ZINC000301785381 403678699 /nfs/dbraw/zinc/67/86/99/403678699.db2.gz OTCSTCXHRDQXDR-ZDUSSCGKSA-N 1 0 314.437 2.140 10 0 DEAERO CO[C@H]([C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000333229783 403701686 /nfs/dbraw/zinc/70/16/86/403701686.db2.gz NWEFRIKACFALMA-JLKTZEBZSA-N 1 0 309.454 2.114 10 0 DEAERO CC(C)c1nc(N[C@@H]2CCCCC[C@@H]2CO)nc(N(C)C)n1 ZINC000301948126 403704247 /nfs/dbraw/zinc/70/42/47/403704247.db2.gz HWQCDXOTBZVMGG-CHWSQXEVSA-N 1 0 307.442 2.414 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000333278815 403713972 /nfs/dbraw/zinc/71/39/72/403713972.db2.gz HFCIIWRCFUGAAF-XNRPHZJLSA-N 1 0 303.406 2.310 10 0 DEAERO C[NH+](C)CC1(NC(=O)c2ncsc2Br)CCC1 ZINC000288050796 403715492 /nfs/dbraw/zinc/71/54/92/403715492.db2.gz MYVMUBHQDOYYID-UHFFFAOYSA-N 1 0 318.240 2.120 10 0 DEAERO CC[N@H+](C)[C@H]1CCN(c2nc(N(C)C)cc(C(F)(F)F)n2)C1 ZINC000302783352 403725477 /nfs/dbraw/zinc/72/54/77/403725477.db2.gz TXWSFXJQBZZKFJ-JTQLQIEISA-N 1 0 317.359 2.092 10 0 DEAERO CCO[C@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C12CCC2 ZINC000333357409 403733550 /nfs/dbraw/zinc/73/35/50/403733550.db2.gz KOAVAGJBEHCMQC-GJZGRUSLSA-N 1 0 321.465 2.119 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C12CCC2 ZINC000333357411 403733793 /nfs/dbraw/zinc/73/37/93/403733793.db2.gz KOAVAGJBEHCMQC-LSDHHAIUSA-N 1 0 321.465 2.119 10 0 DEAERO O=C(N[C@H]1CCCN(c2ccccc2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333440359 403752085 /nfs/dbraw/zinc/75/20/85/403752085.db2.gz WAPZRUTVBVXCSV-HOTGVXAUSA-N 1 0 316.449 2.097 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(c2nccs2)CC1 ZINC000333664183 403808016 /nfs/dbraw/zinc/80/80/16/403808016.db2.gz MAISPLKMGUWLKM-YPMHNXCESA-N 1 0 308.451 2.030 10 0 DEAERO C/C=C\C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000351634659 403819498 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CC1(C)SC[C@@H]1NC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000333646872 403802935 /nfs/dbraw/zinc/80/29/35/403802935.db2.gz VGAKYBFNBUJERH-ILXRZTDVSA-N 1 0 319.474 2.264 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CN2CCCCC2)C12CCOCC2 ZINC000186238844 286394809 /nfs/dbraw/zinc/39/48/09/286394809.db2.gz MIXZKBDEMMHFQC-YESZJQIVSA-N 1 0 310.482 2.425 10 0 DEAERO O[C@@]1(C[NH2+][C@H]2CCCSC2)CCN(Cc2ccccc2)C1 ZINC000341245697 403861831 /nfs/dbraw/zinc/86/18/31/403861831.db2.gz DFXRLXLCVWWLHK-DLBZAZTESA-N 1 0 306.475 2.109 10 0 DEAERO Cc1cnc([C@H](C)CNC(=O)N2CCC3(CC[NH2+]C3)CC2)s1 ZINC000333830113 403876304 /nfs/dbraw/zinc/87/63/04/403876304.db2.gz SRCVSLXTIYMRMD-GFCCVEGCSA-N 1 0 322.478 2.340 10 0 DEAERO O=C(N[C@H]1CCOc2c(F)cccc21)N[C@@H]1CCCC[NH2+]C1 ZINC000333845760 403882307 /nfs/dbraw/zinc/88/23/07/403882307.db2.gz WFEIHDTYQRHNNV-RISCZKNCSA-N 1 0 307.369 2.091 10 0 DEAERO C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000308695053 403960562 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CC(=O)c1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000323741772 404094893 /nfs/dbraw/zinc/09/48/93/404094893.db2.gz YAWHNBPLNSYYRU-IIDMSEBBSA-N 1 0 316.401 2.360 10 0 DEAERO C[NH+](C)Cc1ccccc1C(=O)N[C@@H](CO)CC1CCCC1 ZINC000362996175 404038441 /nfs/dbraw/zinc/03/84/41/404038441.db2.gz ICLJQICILYNBMB-MRXNPFEDSA-N 1 0 304.434 2.419 10 0 DEAERO C[C@@H]1OCC[C@@]12C[N@H+](CCOc1ccc(F)cc1)C[C@@H](C)O2 ZINC000363952480 404265437 /nfs/dbraw/zinc/26/54/37/404265437.db2.gz IRVFPGPNZJNWFD-JKIFEVAISA-N 1 0 309.381 2.473 10 0 DEAERO c1nc(-c2ccncc2)sc1C[NH2+]CCCO[C@H]1CCOC1 ZINC000344642603 404280009 /nfs/dbraw/zinc/28/00/09/404280009.db2.gz RYZUCXVIKXJXQX-AWEZNQCLSA-N 1 0 319.430 2.490 10 0 DEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CCCN(c3ccc(C)nn3)C2)C1(C)C ZINC000329288992 404290701 /nfs/dbraw/zinc/29/07/01/404290701.db2.gz QFZCBAXJDDWOPN-TXCZRRACSA-N 1 0 318.465 2.403 10 0 DEAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3oc(C(C)C)nc3C)[C@H]2C1 ZINC000329566948 404377836 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CC(=O)N(C)c1cccc(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415275013 404838478 /nfs/dbraw/zinc/83/84/78/404838478.db2.gz URGBECPUOAMPLP-JSGCOSHPSA-N 1 0 318.421 2.118 10 0 DEAERO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2)CC12COC2 ZINC000451141766 404879334 /nfs/dbraw/zinc/87/93/34/404879334.db2.gz VZYSQZPURXZUNX-IUODEOHRSA-N 1 0 307.365 2.398 10 0 DEAERO C=Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000451183041 404891142 /nfs/dbraw/zinc/89/11/42/404891142.db2.gz ICZQHULVLRYXSY-OAHLLOKOSA-N 1 0 306.431 2.187 10 0 DEAERO Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000366877998 404863003 /nfs/dbraw/zinc/86/30/03/404863003.db2.gz CZAVEZAACNKQJS-HIFRSBDPSA-N 1 0 303.406 2.433 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC2 ZINC000423917041 404928620 /nfs/dbraw/zinc/92/86/20/404928620.db2.gz XUSVBQTWXLZIGH-SCLBCKFNSA-N 1 0 316.445 2.436 10 0 DEAERO COC[C@@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451294744 404943611 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ZINC000401760794 405065836 /nfs/dbraw/zinc/06/58/36/405065836.db2.gz RXNVINHHJIYGQL-ILXRZTDVSA-N 1 0 302.484 2.216 10 0 DEAERO c1nc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)oc1-c1ccccc1 ZINC000404983500 405069395 /nfs/dbraw/zinc/06/93/95/405069395.db2.gz HHWSHUZVBUHHML-AWEZNQCLSA-N 1 0 309.373 2.448 10 0 DEAERO Cn1ncc(Cl)c1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000436316285 405069645 /nfs/dbraw/zinc/06/96/45/405069645.db2.gz RRAVUBUXGAECIP-NSHDSACASA-N 1 0 307.781 2.393 10 0 DEAERO Cn1nnc2cc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)ccc21 ZINC000408073305 405105988 /nfs/dbraw/zinc/10/59/88/405105988.db2.gz PZHKLUHRJLMVHY-RHSMWYFYSA-N 1 0 300.406 2.095 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nc(-c2ccoc2)no1 ZINC000408183448 405132268 /nfs/dbraw/zinc/13/22/68/405132268.db2.gz RTOAQGGBSXEMEB-OCCSQVGLSA-N 1 0 302.378 2.388 10 0 DEAERO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000361543762 405123865 /nfs/dbraw/zinc/12/38/65/405123865.db2.gz PSNPQLVEVUQUDC-SNVBAGLBSA-N 1 0 321.327 2.467 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)NCC[N@@H+]1CCCC1(C)C ZINC000452083830 405157327 /nfs/dbraw/zinc/15/73/27/405157327.db2.gz HKJWYAPJPHZBPE-UHFFFAOYSA-N 1 0 314.426 2.287 10 0 DEAERO CN1CCO[C@H](C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000437328632 405196285 /nfs/dbraw/zinc/19/62/85/405196285.db2.gz SLTRSTJGNIGFJY-KSZLIROESA-N 1 0 310.397 2.143 10 0 DEAERO C[NH+]1CCC(CNC(=O)c2cc3c(cc2O)CCCC3)CC1 ZINC000408410420 405201073 /nfs/dbraw/zinc/20/10/73/405201073.db2.gz QEVHMWPKLGQTOS-UHFFFAOYSA-N 1 0 302.418 2.343 10 0 DEAERO C[C@@H](CCc1ccccc1F)C(=O)NCCNc1cc[nH+]cc1 ZINC000439036900 405263427 /nfs/dbraw/zinc/26/34/27/405263427.db2.gz CJNGMGAYMAHRFF-AWEZNQCLSA-N 1 0 315.392 2.440 10 0 DEAERO O=C(C1CCC1)N1CCN(CC[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453150014 405286831 /nfs/dbraw/zinc/28/68/31/405286831.db2.gz SVTGFRJUXSPIOI-SFHVURJKSA-N 1 0 319.493 2.099 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)NC(=O)CC3)C1 ZINC000438423815 405246638 /nfs/dbraw/zinc/24/66/38/405246638.db2.gz UAASBCYEAZPZKT-LBPRGKRZSA-N 1 0 316.405 2.035 10 0 DEAERO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCCO)c1ccc2c(c1)CCCC2 ZINC000440956587 405332591 /nfs/dbraw/zinc/33/25/91/405332591.db2.gz YTUAEWWWXKTQQX-CABCVRRESA-N 1 0 318.461 2.445 10 0 DEAERO COc1ccc(C(=O)N2C[C@@H]3CCC[C@@H](C3)C2)c(OCC[NH3+])c1 ZINC000426409292 405358209 /nfs/dbraw/zinc/35/82/09/405358209.db2.gz JKEZBSJGSGUDEK-OKILXGFUSA-N 1 0 318.417 2.295 10 0 DEAERO CC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)nc1 ZINC000455153427 405381589 /nfs/dbraw/zinc/38/15/89/405381589.db2.gz VXJYVIZKLMCMOU-OAHLLOKOSA-N 1 0 316.405 2.376 10 0 DEAERO CC=CC[C@H]1NC(=O)N(c2cccc(OCC[NH+](C)C)c2)C1=O ZINC000445912728 405362631 /nfs/dbraw/zinc/36/26/31/405362631.db2.gz KWPBLQJVTRISIH-FOSCPCJNSA-N 1 0 317.389 2.018 10 0 DEAERO CC(C)CC(CC(C)C)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000448600639 405425655 /nfs/dbraw/zinc/42/56/55/405425655.db2.gz JGUQLCVBXGBARJ-UHFFFAOYSA-N 1 0 311.514 2.401 10 0 DEAERO C[C@H](CNC(=O)NCCOCC1CCC1)C[NH+]1CCCCC1 ZINC000568578208 292349739 /nfs/dbraw/zinc/34/97/39/292349739.db2.gz XWVHDRMRNNLVBL-OAHLLOKOSA-N 1 0 311.470 2.224 10 0 DEAERO C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000455659784 405441511 /nfs/dbraw/zinc/44/15/11/405441511.db2.gz RGSRSROELUVFPX-LLVKDONJSA-N 1 0 315.368 2.144 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000638585999 405558865 /nfs/dbraw/zinc/55/88/65/405558865.db2.gz FXRVREHWSMCMFG-UHFFFAOYSA-N 1 0 319.232 2.230 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc3ccoc32)CC12COC2 ZINC000449363849 405525348 /nfs/dbraw/zinc/52/53/48/405525348.db2.gz MMLLTDYLAGKVBO-HNNXBMFYSA-N 1 0 315.369 2.444 10 0 DEAERO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000449412675 405549499 /nfs/dbraw/zinc/54/94/99/405549499.db2.gz CZJKIGUWKHZCKY-UNJUUPHPSA-N 1 0 313.344 2.384 10 0 DEAERO COc1nsc(C[NH2+]C[C@H]2CCC[C@@H]2O)c1Br ZINC000638713216 405630839 /nfs/dbraw/zinc/63/08/39/405630839.db2.gz WLCUZRIIUIDYMJ-SFYZADRCSA-N 1 0 321.240 2.165 10 0 DEAERO CCn1cc(Br)cc1C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638648221 405592915 /nfs/dbraw/zinc/59/29/15/405592915.db2.gz LOLIXAJQZSCCRV-GXSJLCMTSA-N 1 0 314.227 2.141 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)Cc2ccc(Br)cc2)C[NH2+]1 ZINC000638654136 405596638 /nfs/dbraw/zinc/59/66/38/405596638.db2.gz JFVPTPIKVNESSR-GWCFXTLKSA-N 1 0 311.223 2.248 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CCCC12CC2 ZINC000638794584 405673283 /nfs/dbraw/zinc/67/32/83/405673283.db2.gz FBDWWKFWEGLGTC-IAGOWNOFSA-N 1 0 315.461 2.142 10 0 DEAERO O=C(NC[C@@H]1CCC[N@H+]1CCCO)NCC1CCCCCC1 ZINC000459030738 405704699 /nfs/dbraw/zinc/70/46/99/405704699.db2.gz RDTUWAKQOUSAJL-INIZCTEOSA-N 1 0 311.470 2.103 10 0 DEAERO CC[C@@](C)(CO)[NH2+]Cc1snc(OC)c1Br ZINC000638849640 405713329 /nfs/dbraw/zinc/71/33/29/405713329.db2.gz YJPRWCAUZCNFCY-JTQLQIEISA-N 1 0 309.229 2.165 10 0 DEAERO C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000638884067 405739427 /nfs/dbraw/zinc/73/94/27/405739427.db2.gz FGPNAKRZBBTPJP-ZJUUUORDSA-N 1 0 317.216 2.425 10 0 DEAERO C[C@H]1CN(C(=O)c2ccc(F)cc2Br)C[C@@H]1C[NH3+] ZINC000638884825 405739565 /nfs/dbraw/zinc/73/95/65/405739565.db2.gz FIJOEBOOJHMKOY-IUCAKERBSA-N 1 0 315.186 2.255 10 0 DEAERO C[C@H]1CN(C(=O)CSc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000638884656 405740080 /nfs/dbraw/zinc/74/00/80/405740080.db2.gz DLIYJCMSZSPMRN-VHSXEESVSA-N 1 0 300.374 2.110 10 0 DEAERO C[C@@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000638885636 405740599 /nfs/dbraw/zinc/74/05/99/405740599.db2.gz DDUAYRDNUAWPJS-ZJUUUORDSA-N 1 0 317.216 2.425 10 0 DEAERO Cc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c(Br)c1 ZINC000638888558 405741696 /nfs/dbraw/zinc/74/16/96/405741696.db2.gz BKMJCQXDAWHIEA-GHMZBOCLSA-N 1 0 311.223 2.424 10 0 DEAERO Cc1cc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000638890614 405743267 /nfs/dbraw/zinc/74/32/67/405743267.db2.gz FFEGSJSQYOHBHX-CMPLNLGQSA-N 1 0 311.223 2.424 10 0 DEAERO Cc1ccc(Br)cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638914464 405756695 /nfs/dbraw/zinc/75/66/95/405756695.db2.gz OWDUTUBIFAYUAL-GHMZBOCLSA-N 1 0 311.223 2.424 10 0 DEAERO COC1(C[C@@H](C)[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CCC1 ZINC000583619499 405776334 /nfs/dbraw/zinc/77/63/34/405776334.db2.gz SRXJTVGWCHHGTL-UNEWFSDZSA-N 1 0 317.433 2.291 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@]12C[C@H]1CCCC2 ZINC000638974817 405791435 /nfs/dbraw/zinc/79/14/35/405791435.db2.gz UIERZCOTMQNKPG-AAJLLMFJSA-N 1 0 302.418 2.368 10 0 DEAERO CO[C@H]1CC[C@H](NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000530409990 405798163 /nfs/dbraw/zinc/79/81/63/405798163.db2.gz AOLPPLUWKCADFP-HOTGVXAUSA-N 1 0 311.470 2.316 10 0 DEAERO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000560365521 405799785 /nfs/dbraw/zinc/79/97/85/405799785.db2.gz CKSJFOMNZGXGEY-ZBFHGGJFSA-N 1 0 304.434 2.426 10 0 DEAERO CCn1nccc1C[NH2+]C[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000583616640 405773849 /nfs/dbraw/zinc/77/38/49/405773849.db2.gz VXAYXBAVYVVJID-ROUUACIJSA-N 1 0 314.433 2.065 10 0 DEAERO Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000583614748 405774743 /nfs/dbraw/zinc/77/47/43/405774743.db2.gz ZNGTUGHHZFNPQL-BBWFWOEESA-N 1 0 305.418 2.236 10 0 DEAERO CC(C)Oc1ccc2[nH+]ccc(N3CC[C@@H](NC(N)=O)C3)c2c1 ZINC000450407457 405881438 /nfs/dbraw/zinc/88/14/38/405881438.db2.gz IABLNYMCJYRABT-GFCCVEGCSA-N 1 0 314.389 2.269 10 0 DEAERO COc1cccc2c1ccnc2N1CCO[C@@H](C[NH+](C)C)C1 ZINC000450321929 405833294 /nfs/dbraw/zinc/83/32/94/405833294.db2.gz WCBCFJYHOKJAIB-ZDUSSCGKSA-N 1 0 301.390 2.010 10 0 DEAERO C[NH+](C)C[C@](C)(O)CNC(=O)C1=C(c2ccccc2)CCCC1 ZINC000450338876 405843809 /nfs/dbraw/zinc/84/38/09/405843809.db2.gz ZGXNBSRKZGZLGD-LJQANCHMSA-N 1 0 316.445 2.443 10 0 DEAERO c1nc(C2CC2)ncc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000459334204 405858428 /nfs/dbraw/zinc/85/84/28/405858428.db2.gz FZQLZHCHDRIOHG-KRWDZBQOSA-N 1 0 316.449 2.041 10 0 DEAERO C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCCNc2cc[nH+]cc2)o1 ZINC000560752825 405867351 /nfs/dbraw/zinc/86/73/51/405867351.db2.gz PVLSWUAFRSYZSL-WFASDCNBSA-N 1 0 314.389 2.131 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000457639971 405930214 /nfs/dbraw/zinc/93/02/14/405930214.db2.gz YXWZMOXIGSNNKF-SWLSCSKDSA-N 1 0 316.401 2.137 10 0 DEAERO c1ccc(N2CC[C@@H](C[N@@H+]3CCO[C@@]4(CCCOC4)C3)C2)cc1 ZINC000639157390 405931898 /nfs/dbraw/zinc/93/18/98/405931898.db2.gz NDTFHEPRWOPFQL-HKUYNNGSSA-N 1 0 316.445 2.394 10 0 DEAERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(C)cc(C(=O)OC)c2)C[C@H]1C ZINC000457677460 405947858 /nfs/dbraw/zinc/94/78/58/405947858.db2.gz CUYNNAKHMBCDOJ-ZIAGYGMSSA-N 1 0 318.417 2.336 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000423689278 405910485 /nfs/dbraw/zinc/91/04/85/405910485.db2.gz XNHGDRMMESYQBL-GWCFXTLKSA-N 1 0 323.234 2.429 10 0 DEAERO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459476740 405921879 /nfs/dbraw/zinc/92/18/79/405921879.db2.gz GKXOASVLUPSXQQ-MRXNPFEDSA-N 1 0 308.447 2.078 10 0 DEAERO c1ccc(N2CC[C@@H](C[N@@H+]3CC[C@H](Nc4ncccn4)C3)C2)cc1 ZINC000639282097 406019604 /nfs/dbraw/zinc/01/96/04/406019604.db2.gz NDOBAGSYPDDHTE-IRXDYDNUSA-N 1 0 323.444 2.489 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000457723881 405971659 /nfs/dbraw/zinc/97/16/59/405971659.db2.gz DBBZQAHSSNHDFR-UHFFFAOYSA-N 1 0 318.417 2.338 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)cc2)c1 ZINC000531567233 405979783 /nfs/dbraw/zinc/97/97/83/405979783.db2.gz GPVLITRMSGIJIK-KDOFPFPSSA-N 1 0 324.428 2.393 10 0 DEAERO CC[C@H]([NH2+]Cc1snc(OC)c1Br)[C@@H](C)O ZINC000639236951 405996471 /nfs/dbraw/zinc/99/64/71/405996471.db2.gz UHOLERMQJFCBDT-RQJHMYQMSA-N 1 0 309.229 2.163 10 0 DEAERO CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459685931 406006757 /nfs/dbraw/zinc/00/67/57/406006757.db2.gz ANFKPBBNCBYXJM-IAGOWNOFSA-N 1 0 302.422 2.030 10 0 DEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cnc(-c2cccnc2)s1 ZINC000534207077 406172466 /nfs/dbraw/zinc/17/24/66/406172466.db2.gz GFVGCITWRVBRRI-GFCCVEGCSA-N 1 0 316.430 2.229 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@@H]1SCCc2sccc21 ZINC000533815020 406163354 /nfs/dbraw/zinc/16/33/54/406163354.db2.gz KJAJAALUGZNZOA-CQSZACIVSA-N 1 0 319.455 2.124 10 0 DEAERO c1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c2c(c1)COCC2 ZINC000639641906 406184763 /nfs/dbraw/zinc/18/47/63/406184763.db2.gz MXALHJXHAROJDB-SFHVURJKSA-N 1 0 303.402 2.141 10 0 DEAERO c1nc2n(n1)[C@@H](C[NH2+]C1(Cc3ccccc3)CCOCC1)CC2 ZINC000639667411 406197649 /nfs/dbraw/zinc/19/76/49/406197649.db2.gz SMNGQYMJLJKXCH-MRXNPFEDSA-N 1 0 312.417 2.147 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000487261610 406220382 /nfs/dbraw/zinc/22/03/82/406220382.db2.gz BNMFMAGQNJNUKO-CHWSQXEVSA-N 1 0 316.243 2.213 10 0 DEAERO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2ccsc2)c2ccccc21 ZINC000634562772 406173478 /nfs/dbraw/zinc/17/34/78/406173478.db2.gz HOUSCVGFEVBOJQ-NSHDSACASA-N 1 0 308.428 2.389 10 0 DEAERO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)C2CCOCC2)cc1 ZINC000535800402 406239118 /nfs/dbraw/zinc/23/91/18/406239118.db2.gz QLMIOMHKDIISTE-CYBMUJFWSA-N 1 0 307.390 2.238 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]CCCc1ccccn1 ZINC000487579935 406249471 /nfs/dbraw/zinc/24/94/71/406249471.db2.gz XWTTWQVZZGVQNO-UHFFFAOYSA-N 1 0 309.211 2.300 10 0 DEAERO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1c(Br)cnn1C ZINC000487552139 406244972 /nfs/dbraw/zinc/24/49/72/406244972.db2.gz WRSDMRCVAPPKRB-JOYOIKCWSA-N 1 0 302.216 2.087 10 0 DEAERO c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000536608429 406269419 /nfs/dbraw/zinc/26/94/19/406269419.db2.gz LERKJQWGKMLYCP-QGZVFWFLSA-N 1 0 320.400 2.437 10 0 DEAERO O=C(c1ncccc1Br)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632862319 406296113 /nfs/dbraw/zinc/29/61/13/406296113.db2.gz AWHBXEAIBSQZLD-CMPLNLGQSA-N 1 0 324.222 2.058 10 0 DEAERO c1csc(-c2nccc(N3CCC[C@@]4(CC[NH2+]C4)C3)n2)n1 ZINC000634809146 406294911 /nfs/dbraw/zinc/29/49/11/406294911.db2.gz LKHSYVVGGXRTBH-HNNXBMFYSA-N 1 0 301.419 2.180 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000634949207 406366082 /nfs/dbraw/zinc/36/60/82/406366082.db2.gz KMOJOAJQRFNJPC-AWEZNQCLSA-N 1 0 301.839 2.439 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000637919262 406477153 /nfs/dbraw/zinc/47/71/53/406477153.db2.gz RIFCFJOWDJYYJH-HYVNUMGLSA-N 1 0 303.450 2.141 10 0 DEAERO CC(C)C[C@H]1CCCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637920000 406478324 /nfs/dbraw/zinc/47/83/24/406478324.db2.gz KHGYWRYNEKQVEC-MSOLQXFVSA-N 1 0 317.477 2.483 10 0 DEAERO Cc1cc(C[C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)[nH]n1 ZINC000547736677 406440117 /nfs/dbraw/zinc/44/01/17/406440117.db2.gz WYEQVKJHZCCEEU-CYBMUJFWSA-N 1 0 306.454 2.420 10 0 DEAERO CC[C@@]1(O)CCN(Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1 ZINC000548299651 406497700 /nfs/dbraw/zinc/49/77/00/406497700.db2.gz NSMOEBPCVGCJIA-MRXNPFEDSA-N 1 0 319.430 2.232 10 0 DEAERO Cc1csc(C2([NH2+]CC3(CS(C)(=O)=O)CC3)CCC2)n1 ZINC000548298659 406497967 /nfs/dbraw/zinc/49/79/67/406497967.db2.gz CQGWBHAFOWIFCY-UHFFFAOYSA-N 1 0 314.476 2.245 10 0 DEAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637880772 406459672 /nfs/dbraw/zinc/45/96/72/406459672.db2.gz AHKYXJLIHKGJHU-CMPLNLGQSA-N 1 0 303.189 2.068 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000490355865 406463157 /nfs/dbraw/zinc/46/31/57/406463157.db2.gz WEGPIPHEDXZJJM-YNEHKIRRSA-N 1 0 307.442 2.370 10 0 DEAERO NC(=O)c1csc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c1 ZINC000571593204 406540691 /nfs/dbraw/zinc/54/06/91/406540691.db2.gz BALWGDAJLFGFJS-GFCCVEGCSA-N 1 0 318.398 2.167 10 0 DEAERO O=C(c1ccccc1-c1cn[nH]c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000635479866 406555543 /nfs/dbraw/zinc/55/55/43/406555543.db2.gz LOERLMIDRHMDHG-HNNXBMFYSA-N 1 0 310.401 2.387 10 0 DEAERO CC(=O)N1CC[N@H+](C[C@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000638094316 406566775 /nfs/dbraw/zinc/56/67/75/406566775.db2.gz RBVVSGLSMLLGFG-NVXWUHKLSA-N 1 0 301.434 2.066 10 0 DEAERO C[C@H](NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000637990001 406512851 /nfs/dbraw/zinc/51/28/51/406512851.db2.gz CPMCTOWDFFOGTR-WMLDXEAASA-N 1 0 303.450 2.141 10 0 DEAERO CO[C@@H](C)CN(C(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)C(C)C ZINC000638012720 406523537 /nfs/dbraw/zinc/52/35/37/406523537.db2.gz LAQYKEBCMUCOPS-YQQAZPJKSA-N 1 0 322.449 2.191 10 0 DEAERO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000527224760 406599438 /nfs/dbraw/zinc/59/94/38/406599438.db2.gz AEJTVZNBCPVPBC-UTUOFQBUSA-N 1 0 307.360 2.311 10 0 DEAERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCOCC1CCC1 ZINC000572088678 406602761 /nfs/dbraw/zinc/60/27/61/406602761.db2.gz SUOVGCPSQZANOX-MRXNPFEDSA-N 1 0 311.470 2.319 10 0 DEAERO CC(=O)N(C)c1cccc(NC2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638212942 406626308 /nfs/dbraw/zinc/62/63/08/406626308.db2.gz BASZLDXOJJBAPM-UHFFFAOYSA-N 1 0 319.449 2.317 10 0 DEAERO c1nc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc2c1OCCO2 ZINC000638116070 406578185 /nfs/dbraw/zinc/57/81/85/406578185.db2.gz VNRHOJMLUJJEQU-KRWDZBQOSA-N 1 0 304.390 2.245 10 0 DEAERO CCn1nc(C[NH2+]C2(COC)CCOCC2)c2ccccc21 ZINC000552083538 406682305 /nfs/dbraw/zinc/68/23/05/406682305.db2.gz LFWJAHMUKZWJJK-UHFFFAOYSA-N 1 0 303.406 2.341 10 0 DEAERO c1cc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)sn1 ZINC000638304049 406686886 /nfs/dbraw/zinc/68/68/86/406686886.db2.gz BBHILWANZUAXOP-UHFFFAOYSA-N 1 0 303.431 2.265 10 0 DEAERO CN(CCC(C)(C)C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638375316 406733406 /nfs/dbraw/zinc/73/34/06/406733406.db2.gz XKLNWXHMIXRRJL-MRXNPFEDSA-N 1 0 305.466 2.340 10 0 DEAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000527803139 406756795 /nfs/dbraw/zinc/75/67/95/406756795.db2.gz CMSRDRLBOLMDGN-APOZVJGGSA-N 1 0 302.216 2.084 10 0 DEAERO c1cc(N2CCOCC2)ncc1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000638346361 406715880 /nfs/dbraw/zinc/71/58/80/406715880.db2.gz WLLJKMBWVPJONK-HYVNUMGLSA-N 1 0 301.434 2.444 10 0 DEAERO C[C@@H](NCc1cocn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000192308123 287042173 /nfs/dbraw/zinc/04/21/73/287042173.db2.gz DKWWXGKRPHAQKZ-CYBMUJFWSA-N 1 0 318.396 2.416 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)[C@H]1CCCO1 ZINC000183153754 287045912 /nfs/dbraw/zinc/04/59/12/287045912.db2.gz XVRXXDFCQXYRSH-MBNYWOFBSA-N 1 0 308.447 2.178 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](O)c1ncc(Br)cc1Br ZINC000129046716 196014680 /nfs/dbraw/zinc/01/46/80/196014680.db2.gz GJAHXRDTJSBBPF-VXNVDRBHSA-N 1 0 324.016 2.377 10 0 DEAERO [NH3+]CCc1cc(OC[C@@H]2CCOC2)ccc1Br ZINC000129195188 196027592 /nfs/dbraw/zinc/02/75/92/196027592.db2.gz DUVGLBDPLXPVCT-SNVBAGLBSA-N 1 0 300.196 2.366 10 0 DEAERO COC(=O)CCOc1ccc(Br)c(C[C@@H](C)[NH3+])c1 ZINC000129300393 196037269 /nfs/dbraw/zinc/03/72/69/196037269.db2.gz JRRQHKBLQKTIPD-SECBINFHSA-N 1 0 316.195 2.281 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1 ZINC000129450166 196049399 /nfs/dbraw/zinc/04/93/99/196049399.db2.gz GJBLUTKXDAQPQO-OAHLLOKOSA-N 1 0 321.396 2.001 10 0 DEAERO C[NH2+][C@H](C)c1ccc(NC(=O)N[C@H](C)CC[S@](C)=O)cc1 ZINC000129551189 196056718 /nfs/dbraw/zinc/05/67/18/196056718.db2.gz LCGPSKMROJHGMH-JWCBKOKGSA-N 1 0 311.451 2.246 10 0 DEAERO COCC[NH2+]C[C@@H](C)Oc1ccc(OC)cc1Br ZINC000129647775 196064625 /nfs/dbraw/zinc/06/46/25/196064625.db2.gz LJKMACCTSYPFAZ-SNVBAGLBSA-N 1 0 318.211 2.461 10 0 DEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)NCCCCC(F)(F)F ZINC000130553105 196090749 /nfs/dbraw/zinc/09/07/49/196090749.db2.gz UQXZDRYUIGSQNZ-UHFFFAOYSA-N 1 0 324.368 2.465 10 0 DEAERO Cc1cccc(OCC[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1 ZINC000130928602 196124551 /nfs/dbraw/zinc/12/45/51/196124551.db2.gz WKJUSRKMYWISAX-LLVKDONJSA-N 1 0 304.312 2.030 10 0 DEAERO C[NH2+]C[C@H]1CN(Cc2cc(Br)ccc2F)CCO1 ZINC000131054665 196135624 /nfs/dbraw/zinc/13/56/24/196135624.db2.gz WKTZYSFAZWXMMU-LBPRGKRZSA-N 1 0 317.202 2.008 10 0 DEAERO [NH3+]Cc1ccc(C[S@@](=O)c2ccc3c(c2)OCCCO3)o1 ZINC000131060732 196136684 /nfs/dbraw/zinc/13/66/84/196136684.db2.gz AUSOGVWVWJVLAS-NRFANRHFSA-N 1 0 307.371 2.207 10 0 DEAERO CC(C)[NH2+][C@@](CSc1ncns1)(C(N)=O)c1ccccc1 ZINC000131138540 196143799 /nfs/dbraw/zinc/14/37/99/196143799.db2.gz ZJJKUPCMFAIBLC-CQSZACIVSA-N 1 0 322.459 2.009 10 0 DEAERO CC[NH2+][C@@H](CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000131265250 196155738 /nfs/dbraw/zinc/15/57/38/196155738.db2.gz CULTUUVQLVZFFE-ZBFHGGJFSA-N 1 0 311.447 2.041 10 0 DEAERO CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(CC[NH3+])cc2)C1 ZINC000131319454 196159783 /nfs/dbraw/zinc/15/97/83/196159783.db2.gz KSEFOODAMSOMCV-CQSZACIVSA-N 1 0 310.463 2.245 10 0 DEAERO COc1ccc(OC)c(CCC(=O)NC2CCC([NH3+])CC2)c1 ZINC000131692274 196191528 /nfs/dbraw/zinc/19/15/28/196191528.db2.gz OZVWVZHIJQRBEG-UHFFFAOYSA-N 1 0 306.406 2.023 10 0 DEAERO CCn1nccc1/C=C/C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000131885424 196206889 /nfs/dbraw/zinc/20/68/89/196206889.db2.gz FTTYQBULIKVRQQ-FVNWOWOISA-N 1 0 324.428 2.436 10 0 DEAERO CCn1nccc1/C=C/C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000131885227 196207199 /nfs/dbraw/zinc/20/71/99/196207199.db2.gz FTTYQBULIKVRQQ-OAGJVSPASA-N 1 0 324.428 2.436 10 0 DEAERO CCNc1cc(N2CCC(C[NH+](C)C)CC2)nc(SC)n1 ZINC000131899601 196208134 /nfs/dbraw/zinc/20/81/34/196208134.db2.gz ABCXPSNTMXWHIR-UHFFFAOYSA-N 1 0 309.483 2.408 10 0 DEAERO CC[NH2+][C@H](CC)c1ccc(SCCS(C)(=O)=O)cn1 ZINC000131899235 196208547 /nfs/dbraw/zinc/20/85/47/196208547.db2.gz HBQLNZQQLHJVKA-GFCCVEGCSA-N 1 0 302.465 2.279 10 0 DEAERO CN(Cc1cccc(Cl)c1Cl)C(=O)C1([NH3+])CCOCC1 ZINC000132156828 196231822 /nfs/dbraw/zinc/23/18/22/196231822.db2.gz USGZSZOLOPBNJE-UHFFFAOYSA-N 1 0 317.216 2.460 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000132174914 196232558 /nfs/dbraw/zinc/23/25/58/196232558.db2.gz FEEWEBRKMZJCSD-GJZGRUSLSA-N 1 0 311.470 2.049 10 0 DEAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1sc2cccnc2c1N ZINC000132317757 196245501 /nfs/dbraw/zinc/24/55/01/196245501.db2.gz VGOAVNXQOHVGNT-JTQLQIEISA-N 1 0 304.419 2.045 10 0 DEAERO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)s1 ZINC000132520341 196262670 /nfs/dbraw/zinc/26/26/70/196262670.db2.gz IOIVAGUMLDKLBI-SVRRBLITSA-N 1 0 309.357 2.478 10 0 DEAERO CC(C)[NH+](CCOc1nc(N)ncc1Br)C(C)C ZINC000132536341 196263324 /nfs/dbraw/zinc/26/33/24/196263324.db2.gz LKEMXQLWITVGMU-UHFFFAOYSA-N 1 0 317.231 2.319 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc2c(c1)OCCCO2 ZINC000132990297 196302775 /nfs/dbraw/zinc/30/27/75/196302775.db2.gz YRKZEUYXURBFRN-JSGCOSHPSA-N 1 0 304.390 2.119 10 0 DEAERO CCS(=O)(=O)NCCC[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000133011568 196304212 /nfs/dbraw/zinc/30/42/12/196304212.db2.gz CAUNVLVIGUAJMK-OAHLLOKOSA-N 1 0 312.479 2.187 10 0 DEAERO CC[C@@H](CSC)NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000133233530 196323662 /nfs/dbraw/zinc/32/36/62/196323662.db2.gz XDPPHTBLPOZZPH-JQWIXIFHSA-N 1 0 302.465 2.126 10 0 DEAERO C[C@]1(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)CCCC[NH2+]1 ZINC000133244096 196324138 /nfs/dbraw/zinc/32/41/38/196324138.db2.gz OHBGXEHNIDIUDL-IIAWOOMASA-N 1 0 312.479 2.032 10 0 DEAERO C[C@@H]([NH3+])CCCC(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000133255747 196325072 /nfs/dbraw/zinc/32/50/72/196325072.db2.gz JDRIWMMYPFGLJI-SNVBAGLBSA-N 1 0 307.785 2.377 10 0 DEAERO CCCc1cc(C(=O)N2CCS[C@@H](C)[C@@H]2C)cc(NN)[nH+]1 ZINC000133943488 196348184 /nfs/dbraw/zinc/34/81/84/196348184.db2.gz LFNKBEDTSBHOBG-QWRGUYRKSA-N 1 0 308.451 2.286 10 0 DEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000134237887 196372360 /nfs/dbraw/zinc/37/23/60/196372360.db2.gz JSYYRVDBNGQEBV-KCJUWKMLSA-N 1 0 314.179 2.445 10 0 DEAERO CC[C@H](CCO)N[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000134373169 196382930 /nfs/dbraw/zinc/38/29/30/196382930.db2.gz RWFICLKHSOFOIS-MFKMUULPSA-N 1 0 319.218 2.339 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Br)c(C)nn1C)C[C@H](C)OC ZINC000134474814 196394885 /nfs/dbraw/zinc/39/48/85/196394885.db2.gz WDTZAAFCLAKCDV-GXSJLCMTSA-N 1 0 318.259 2.437 10 0 DEAERO CC[C@@H]1CCSC(NCc2ccc(S(C)(=O)=O)cc2)=[NH+]1 ZINC000134481318 196395525 /nfs/dbraw/zinc/39/55/25/196395525.db2.gz YHPKUUOCXACPJZ-GFCCVEGCSA-N 1 0 312.460 2.451 10 0 DEAERO NNc1cc(Oc2ccc(OC(F)(F)F)cc2)nc(N)[nH+]1 ZINC000135088153 196443387 /nfs/dbraw/zinc/44/33/87/196443387.db2.gz FMSRNHUNKLZTLT-UHFFFAOYSA-N 1 0 301.228 2.035 10 0 DEAERO COC(=O)[C@](C)([NH3+])C[C@@H](C)Sc1nnc(SC)s1 ZINC000135581967 196489693 /nfs/dbraw/zinc/48/96/93/196489693.db2.gz XSJKVCCBJPXVMF-LHLIQPBNSA-N 1 0 307.466 2.021 10 0 DEAERO CC(C)c1cc(Br)ccc1O[C@@H]1C[NH2+]C[C@H]1O ZINC000136471742 196538256 /nfs/dbraw/zinc/53/82/56/196538256.db2.gz DGVSFGMRCZEKQI-DGCLKSJQSA-N 1 0 300.196 2.284 10 0 DEAERO C[C@H]1CN(Cc2ccc(-c3ccccc3)o2)CC[N@@H+]1CCO ZINC000190252512 225080455 /nfs/dbraw/zinc/08/04/55/225080455.db2.gz SBQDNSAKABOOPN-HNNXBMFYSA-N 1 0 300.402 2.445 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192441606 225134593 /nfs/dbraw/zinc/13/45/93/225134593.db2.gz SFBONCFMPNAUQR-IAGOWNOFSA-N 1 0 318.461 2.253 10 0 DEAERO Cn1cc(CN(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000261751675 225255111 /nfs/dbraw/zinc/25/51/11/225255111.db2.gz LFUXOIHGRLPANF-AWEZNQCLSA-N 1 0 317.462 2.021 10 0 DEAERO Cc1noc(CCC[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)n1 ZINC000299753882 229399467 /nfs/dbraw/zinc/39/94/67/229399467.db2.gz ZQPKDDKSWGWRML-CQSZACIVSA-N 1 0 315.421 2.333 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1nccnc1N(C)C ZINC000302211578 230167955 /nfs/dbraw/zinc/16/79/55/230167955.db2.gz ZKKWSHOXQJGZOR-GOEBONIOSA-N 1 0 311.433 2.475 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)NCCc1ccccn1)c1ccccc1 ZINC000047634247 424826825 /nfs/dbraw/zinc/82/68/25/424826825.db2.gz WZEJONDDNBOTKO-QGZVFWFLSA-N 1 0 312.417 2.226 10 0 DEAERO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1nncs1 ZINC000043130106 424811525 /nfs/dbraw/zinc/81/15/25/424811525.db2.gz ORNYXZMLNXXQSJ-UHFFFAOYSA-N 1 0 305.407 2.134 10 0 DEAERO Cc1ccc(NC(=O)Cn2cc(C(C)(C)[NH3+])nn2)cc1Cl ZINC000070118484 424842123 /nfs/dbraw/zinc/84/21/23/424842123.db2.gz QSMJOODXYSDHGT-UHFFFAOYSA-N 1 0 307.785 2.072 10 0 DEAERO C[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000068047630 424842125 /nfs/dbraw/zinc/84/21/25/424842125.db2.gz OIEWNYYCCLVVEW-HOTGVXAUSA-N 1 0 313.825 2.328 10 0 DEAERO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc3ccccc32)C[NH2+]1 ZINC000122160949 424854077 /nfs/dbraw/zinc/85/40/77/424854077.db2.gz QZAYPMSDCHNONB-TZMCWYRMSA-N 1 0 304.415 2.259 10 0 DEAERO O=C(NCC[NH+]1CCCC1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000193152360 424867227 /nfs/dbraw/zinc/86/72/27/424867227.db2.gz XQKUPHUZTOALDK-UHFFFAOYSA-N 1 0 302.353 2.041 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC1CCOCC1 ZINC000193451279 424869761 /nfs/dbraw/zinc/86/97/61/424869761.db2.gz DFXBWKUEGXINKV-UHFFFAOYSA-N 1 0 317.433 2.261 10 0 DEAERO CC(C)N(C(=O)CN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000193806140 424871568 /nfs/dbraw/zinc/87/15/68/424871568.db2.gz WKUFMDQZHZLVAO-UHFFFAOYSA-N 1 0 303.450 2.454 10 0 DEAERO Cc1ccc(OC[C@@H](O)CN2CCC([NH+](C)C)CC2)c(C)c1 ZINC000193811721 424871626 /nfs/dbraw/zinc/87/16/26/424871626.db2.gz QZGSJZKXVQGODQ-KRWDZBQOSA-N 1 0 306.450 2.069 10 0 DEAERO Cc1csc([C@@H]2CCCN(CC(=O)Nc3nncs3)C2)n1 ZINC000195322842 424882227 /nfs/dbraw/zinc/88/22/27/424882227.db2.gz DDJRPNDQZBHGCW-SNVBAGLBSA-N 1 0 323.447 2.121 10 0 DEAERO Fc1cc(C[NH2+]C2COCCOC2)ccc1Br ZINC000393886433 424919310 /nfs/dbraw/zinc/91/93/10/424919310.db2.gz SICCRPFZEUXIIT-UHFFFAOYSA-N 1 0 304.159 2.093 10 0 DEAERO c1[nH+]cn2cc(CNc3nnc(C4CCOCC4)s3)ccc12 ZINC000568961758 424920946 /nfs/dbraw/zinc/92/09/46/424920946.db2.gz JUIMDSDWQZCQOG-UHFFFAOYSA-N 1 0 315.402 2.692 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2ccc(Br)cc2F)CCOC1 ZINC000404185711 424926118 /nfs/dbraw/zinc/92/61/18/424926118.db2.gz CWXZBZMMTDNFAV-ZDUSSCGKSA-N 1 0 318.186 2.219 10 0 DEAERO [NH3+]CC1(CCNC(=O)c2c(F)cccc2Br)CC1 ZINC000404520982 424928162 /nfs/dbraw/zinc/92/81/62/424928162.db2.gz NFBHXAWCFSIURO-UHFFFAOYSA-N 1 0 315.186 2.447 10 0 DEAERO [NH3+]CC1(CCNC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000404687029 424928425 /nfs/dbraw/zinc/92/84/25/424928425.db2.gz MJHGBCLPBYFYTL-UHFFFAOYSA-N 1 0 315.186 2.447 10 0 DEAERO CCC([NH3+])(CC)CNC(=O)c1nscc1Br ZINC000404824334 424930121 /nfs/dbraw/zinc/93/01/21/424930121.db2.gz UPZFGGCYPRYEOX-UHFFFAOYSA-N 1 0 306.229 2.153 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000309856722 424893740 /nfs/dbraw/zinc/89/37/40/424893740.db2.gz LLCUNGMVURLKPJ-IOASZLSFSA-N 1 0 300.443 2.383 10 0 DEAERO COc1ncc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)s1 ZINC000313199058 424895133 /nfs/dbraw/zinc/89/51/33/424895133.db2.gz YHJROMLLAHKJSP-SECBINFHSA-N 1 0 309.357 2.126 10 0 DEAERO O=C1NCC[C@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000657524957 425358012 /nfs/dbraw/zinc/35/80/12/425358012.db2.gz VULFCINQMSTCAA-SSDOTTSWSA-N 1 0 309.616 2.142 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cnn(-c3ccccc3)n2)[C@H](C)C1 ZINC000081094988 267378835 /nfs/dbraw/zinc/37/88/35/267378835.db2.gz VVCCFUFJLAOCSY-CRAIPNDOSA-N 1 0 313.449 2.429 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(OC)cc2)[C@H](C)C1 ZINC000081094747 267379229 /nfs/dbraw/zinc/37/92/29/267379229.db2.gz AHNABWBNEGNJAD-PBHICJAKSA-N 1 0 319.449 2.296 10 0 DEAERO CC(C)n1cc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccnn2C)cn1 ZINC000657720798 425391868 /nfs/dbraw/zinc/39/18/68/425391868.db2.gz MRIJFKPVBDFGMX-DOTOQJQBSA-N 1 0 317.437 2.455 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000175055752 267514076 /nfs/dbraw/zinc/51/40/76/267514076.db2.gz PURKYOQQCMMZLR-YLFCFFPRSA-N 1 0 307.482 2.240 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000193090100 267750487 /nfs/dbraw/zinc/75/04/87/267750487.db2.gz UFAUWDCCBJGTIM-UHFFFAOYSA-N 1 0 304.390 2.014 10 0 DEAERO CN(C(=O)COc1ccc(Cl)cc1)[C@H](C[NH3+])C(F)(F)F ZINC000662974863 425769215 /nfs/dbraw/zinc/76/92/15/425769215.db2.gz BLDBTUQKHDWHQW-SNVBAGLBSA-N 1 0 310.703 2.067 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000194818221 268558838 /nfs/dbraw/zinc/55/88/38/268558838.db2.gz WCUVZSMNTBZSOF-RHSMWYFYSA-N 1 0 317.433 2.087 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@H]2CCC[C@@H]2O)C1 ZINC000230702366 268580814 /nfs/dbraw/zinc/58/08/14/268580814.db2.gz WPFIPBJGOHFPBL-KFWWJZLASA-N 1 0 312.454 2.384 10 0 DEAERO COc1ccc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)c(C)n1 ZINC000333089622 268883527 /nfs/dbraw/zinc/88/35/27/268883527.db2.gz AQSNIVVSQZLKGK-UHFFFAOYSA-N 1 0 318.421 2.396 10 0 DEAERO O=C(Nc1ccc2c(c1)C(=O)CCC2)N[C@@H]1CCCC[NH2+]C1 ZINC000333183202 268898982 /nfs/dbraw/zinc/89/89/82/268898982.db2.gz SJFZUSXKVWUDNZ-CQSZACIVSA-N 1 0 301.390 2.469 10 0 DEAERO CN(C(=O)Nc1cccc(N2CCC2=O)c1)[C@H]1CCC[NH2+]CC1 ZINC000333249565 268912019 /nfs/dbraw/zinc/91/20/19/268912019.db2.gz CFHWAFQXEKOUIV-AWEZNQCLSA-N 1 0 316.405 2.029 10 0 DEAERO O=C(N[C@H]1CCOC2(CCCC2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333446107 268947129 /nfs/dbraw/zinc/94/71/29/268947129.db2.gz WVEWFKUDBJRQLX-HNNXBMFYSA-N 1 0 321.465 2.263 10 0 DEAERO O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000333647594 268970019 /nfs/dbraw/zinc/97/00/19/268970019.db2.gz VHQABDAVORRQQU-QLFBSQMISA-N 1 0 323.824 2.221 10 0 DEAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000333739397 268985562 /nfs/dbraw/zinc/98/55/62/268985562.db2.gz MDEHNFIIYLERRL-DJIMGWMZSA-N 1 0 322.474 2.274 10 0 DEAERO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000333894222 269001148 /nfs/dbraw/zinc/00/11/48/269001148.db2.gz HOJHJUWZTUZGAP-HRCADAONSA-N 1 0 309.417 2.329 10 0 DEAERO CC(C)c1noc(-c2ccnc(N3CC[C@@]4(CC[NH2+]C4)C3)c2)n1 ZINC000333926723 269005197 /nfs/dbraw/zinc/00/51/97/269005197.db2.gz VRSKVNJBHGGLIO-QGZVFWFLSA-N 1 0 313.405 2.445 10 0 DEAERO Cc1nc(-c2cccnc2)nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000333924921 269005207 /nfs/dbraw/zinc/00/52/07/269005207.db2.gz UAXMTWURFMFVHV-ARFHVFGLSA-N 1 0 309.417 2.329 10 0 DEAERO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccn1 ZINC000363392246 269056075 /nfs/dbraw/zinc/05/60/75/269056075.db2.gz FJBBPGVXXBZAIW-KGLIPLIRSA-N 1 0 302.422 2.459 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000390759549 269098170 /nfs/dbraw/zinc/09/81/70/269098170.db2.gz YRKHMNXDWYXKEC-ZBFHGGJFSA-N 1 0 304.434 2.486 10 0 DEAERO CC[C@H]([NH2+]Cc1nn(C)cc1Br)[C@@H]1CCOC1 ZINC000393338054 269099480 /nfs/dbraw/zinc/09/94/80/269099480.db2.gz NOIKZVMUOVVXCJ-KOLCDFICSA-N 1 0 302.216 2.087 10 0 DEAERO C[C@@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000397615560 269106529 /nfs/dbraw/zinc/10/65/29/269106529.db2.gz GUROXWAUDHWCMB-OAHLLOKOSA-N 1 0 316.445 2.176 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398865690 269109730 /nfs/dbraw/zinc/10/97/30/269109730.db2.gz SLABJUUSPZSMOD-KSZLIROESA-N 1 0 316.445 2.128 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398865702 269109829 /nfs/dbraw/zinc/10/98/29/269109829.db2.gz SLABJUUSPZSMOD-RCCFBDPRSA-N 1 0 316.445 2.128 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000430233213 269127179 /nfs/dbraw/zinc/12/71/79/269127179.db2.gz KESQSMTUZVQUBS-IRXDYDNUSA-N 1 0 312.417 2.185 10 0 DEAERO C[C@@H]1CC(C[NH2+]C[C@H](O)COCc2ccccc2)C[C@@H](C)O1 ZINC000517556750 269387694 /nfs/dbraw/zinc/38/76/94/269387694.db2.gz UCYSTIJXDKTQET-RKVPGOIHSA-N 1 0 307.434 2.357 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000355421296 273489711 /nfs/dbraw/zinc/48/97/11/273489711.db2.gz LGHQINZDEHECMF-ZJPYXAASSA-N 1 0 308.466 2.430 10 0 DEAERO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCNC2=O)cc1 ZINC000067127587 273563598 /nfs/dbraw/zinc/56/35/98/273563598.db2.gz NZBBQCQUDLERIV-OLZOCXBDSA-N 1 0 303.406 2.401 10 0 DEAERO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@](C)(CCO)COC ZINC000177406631 273771122 /nfs/dbraw/zinc/77/11/22/273771122.db2.gz MBRLGVRNCBIRKP-SFHVURJKSA-N 1 0 322.449 2.127 10 0 DEAERO COc1ccc(C[C@@H](C)[NH2+][C@H](CCO)C2CCOCC2)cc1 ZINC000359402874 274111098 /nfs/dbraw/zinc/11/10/98/274111098.db2.gz VAKWATWGZYWRPA-RDTXWAMCSA-N 1 0 307.434 2.393 10 0 DEAERO C([NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)C1(N2CCOCC2)CC1 ZINC000341372551 275396036 /nfs/dbraw/zinc/39/60/36/275396036.db2.gz ODPAMZWJNRAAHO-IKGGRYGDSA-N 1 0 308.466 2.036 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000341365322 275455596 /nfs/dbraw/zinc/45/55/96/275455596.db2.gz JACQCIWOQWIFEW-BRSBDYLESA-N 1 0 308.466 2.430 10 0 DEAERO CC(C)(C[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000328625780 275549073 /nfs/dbraw/zinc/54/90/73/275549073.db2.gz LAUZJBKFXZXQDD-HUUCEWRRSA-N 1 0 311.447 2.177 10 0 DEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000328626571 275716423 /nfs/dbraw/zinc/71/64/23/275716423.db2.gz LWFLRMLCGDMSKJ-ISGSLZAZSA-N 1 0 309.410 2.203 10 0 DEAERO CC1(C)C[C@H](NC(=O)C2([NH3+])CCOCC2)c2ccc(F)cc2O1 ZINC000261673284 275864302 /nfs/dbraw/zinc/86/43/02/275864302.db2.gz CBZPVKVDUXLMRA-ZDUSSCGKSA-N 1 0 322.380 2.052 10 0 DEAERO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)CC1(CO)CC1 ZINC000190010193 276142123 /nfs/dbraw/zinc/14/21/23/276142123.db2.gz ZLMGRMFMCFOKOZ-HNNXBMFYSA-N 1 0 304.434 2.128 10 0 DEAERO CCOC(=O)[C@@H]1CN(c2cc[nH+]c(C)c2Cl)CC12COC2 ZINC000450563264 276289179 /nfs/dbraw/zinc/28/91/79/276289179.db2.gz HHPVGCIKDRIIMW-NSHDSACASA-N 1 0 310.781 2.059 10 0 DEAERO C([NH2+][C@H]1CCCC[C@@H]1C1CC1)C1(N2CCOCC2)CCOCC1 ZINC000459720280 276816608 /nfs/dbraw/zinc/81/66/08/276816608.db2.gz UOMRMBWGCXEVRK-MSOLQXFVSA-N 1 0 322.493 2.426 10 0 DEAERO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000193328387 277041974 /nfs/dbraw/zinc/04/19/74/277041974.db2.gz KTFFZUSDPGVPID-JTQLQIEISA-N 1 0 320.817 2.160 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000451042818 277101332 /nfs/dbraw/zinc/10/13/32/277101332.db2.gz DXOUHZZPFNVWGU-HRCADAONSA-N 1 0 310.825 2.015 10 0 DEAERO CN1CCN(c2ncc(C[NH2+]CC3CCCCCC3)cn2)CC1 ZINC000449487136 277114479 /nfs/dbraw/zinc/11/44/79/277114479.db2.gz XBSJHMNNUQEEED-UHFFFAOYSA-N 1 0 317.481 2.288 10 0 DEAERO COC(=O)C1(NCC[N@H+](C)Cc2ccc(F)cc2)CCCC1 ZINC000187349464 277310271 /nfs/dbraw/zinc/31/02/71/277310271.db2.gz XVVJDPXQEAUXFR-UHFFFAOYSA-N 1 0 308.397 2.333 10 0 DEAERO COC(=O)Nc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000194502067 277336538 /nfs/dbraw/zinc/33/65/38/277336538.db2.gz LYAVRSDOXFPELU-UHFFFAOYSA-N 1 0 317.389 2.175 10 0 DEAERO COC1([C@H](C)[NH2+]Cc2cn3ccc(C)cc3n2)CCOCC1 ZINC000453104732 277474361 /nfs/dbraw/zinc/47/43/61/277474361.db2.gz GFQARIOGBLADTO-AWEZNQCLSA-N 1 0 303.406 2.316 10 0 DEAERO COc1cccc2c1CC[N@H+](C[C@@](C)(O)C(F)(F)F)CC2 ZINC000369714595 278028677 /nfs/dbraw/zinc/02/86/77/278028677.db2.gz JSQPLMAPMMIGML-CQSZACIVSA-N 1 0 303.324 2.409 10 0 DEAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000117788811 278108906 /nfs/dbraw/zinc/10/89/06/278108906.db2.gz GRTSPARGCTUILT-CPUCHLNUSA-N 1 0 302.418 2.494 10 0 DEAERO C[C@H](C(=O)NC1(c2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000262163942 278149364 /nfs/dbraw/zinc/14/93/64/278149364.db2.gz JMDCWIDYJGVJJA-JTQLQIEISA-N 1 0 323.234 2.410 10 0 DEAERO CSc1cc2c(cc1CN1C[C@@H](C)[NH2+]C[C@@H]1C)OCCO2 ZINC000262112456 278170289 /nfs/dbraw/zinc/17/02/89/278170289.db2.gz WPUPQJXUYVPMFF-NEPJUHHUSA-N 1 0 308.447 2.362 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCCC1)C1C[NH2+]C1 ZINC000262270465 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1 0 311.470 2.220 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1c(F)cccc1F ZINC000189138838 279133428 /nfs/dbraw/zinc/13/34/28/279133428.db2.gz YKUUCDAEPPUINL-LLVKDONJSA-N 1 0 320.405 2.219 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000188297130 279166550 /nfs/dbraw/zinc/16/65/50/279166550.db2.gz OBROSHJCNQELKS-MRXNPFEDSA-N 1 0 313.486 2.155 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C1CC1 ZINC000182631976 279194069 /nfs/dbraw/zinc/19/40/69/279194069.db2.gz VWHMROCQSALSSC-OAHLLOKOSA-N 1 0 305.426 2.131 10 0 DEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1nncs1 ZINC000181028114 279282595 /nfs/dbraw/zinc/28/25/95/279282595.db2.gz WBVFXSXVWDMSBR-LLVKDONJSA-N 1 0 305.407 2.180 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091344116 279531957 /nfs/dbraw/zinc/53/19/57/279531957.db2.gz RXCRBYVECSSJNF-JQWIXIFHSA-N 1 0 320.824 2.498 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000186794477 279737713 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CCC[NH+]1CCC(CNC(=O)N[C@@H](CC)[C@@H]2CCCO2)CC1 ZINC000133052521 282006512 /nfs/dbraw/zinc/00/65/12/282006512.db2.gz SVWGMFPXTWKEFE-HOTGVXAUSA-N 1 0 311.470 2.365 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000134378476 282040733 /nfs/dbraw/zinc/04/07/33/282040733.db2.gz ASYPACRTEBGWMB-MRXNPFEDSA-N 1 0 306.450 2.374 10 0 DEAERO CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000168332433 288641519 /nfs/dbraw/zinc/64/15/19/288641519.db2.gz LLPOIRPPLHJBNQ-SOUVJXGZSA-N 1 0 304.438 2.127 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000262379470 288688710 /nfs/dbraw/zinc/68/87/10/288688710.db2.gz YNGBFSYDNUFBHW-TXCZRRACSA-N 1 0 302.418 2.350 10 0 DEAERO Cc1nnc(-c2ccc(C(=O)N3[C@@H](C)C[NH+](C)C[C@@H]3C)cc2)o1 ZINC000155681830 293811675 /nfs/dbraw/zinc/81/16/75/293811675.db2.gz YEKXGNZAJRVXOK-RYUDHWBXSA-N 1 0 314.389 2.210 10 0 DEAERO [NH3+]C[C@H]1CCCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000131171743 295265127 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Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262415706 302760736 /nfs/dbraw/zinc/76/07/36/302760736.db2.gz TYSYZTQWDDPECC-CQDKDKBSSA-N 1 0 304.438 2.089 10 0 DEAERO Cc1cccc(CC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000176894377 325750467 /nfs/dbraw/zinc/75/04/67/325750467.db2.gz GQUMUHQKVXLQLO-INIZCTEOSA-N 1 0 318.461 2.089 10 0 DEAERO c1nnn2c1CN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000573931056 326106792 /nfs/dbraw/zinc/10/67/92/326106792.db2.gz JOUPHNDLOUAWAP-UHFFFAOYSA-N 1 0 311.433 2.280 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)c2ccccc2C1 ZINC000575371643 326236524 /nfs/dbraw/zinc/23/65/24/326236524.db2.gz UGAJMPCJDKWPHN-NVXWUHKLSA-N 1 0 324.428 2.350 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccc(Br)cn1 ZINC000584270787 332178408 /nfs/dbraw/zinc/17/84/08/332178408.db2.gz BBZGZABVOXMDPL-AUTRQRHGSA-N 1 0 312.211 2.162 10 0 DEAERO CCC[NH+]1CCC(N(C)C(=O)NCCOCC2CCC2)CC1 ZINC000580259199 333042990 /nfs/dbraw/zinc/04/29/90/333042990.db2.gz NFHKZLCSODHQGN-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO COC[C@@H](C)C[NH+]1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000189570238 333117787 /nfs/dbraw/zinc/11/77/87/333117787.db2.gz ZQDJSAHBPBCDAT-AWEZNQCLSA-N 1 0 310.413 2.234 10 0 DEAERO COC[C@H](C)C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000189670580 333323358 /nfs/dbraw/zinc/32/33/58/333323358.db2.gz YBXSXNPXROTPKM-CQSZACIVSA-N 1 0 322.424 2.436 10 0 DEAERO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1coc(Br)c1 ZINC000389815300 336906567 /nfs/dbraw/zinc/90/65/67/336906567.db2.gz LTZGLEJGLHPJHD-SECBINFHSA-N 1 0 301.184 2.160 10 0 DEAERO CC(=O)c1ncc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000582472995 337095465 /nfs/dbraw/zinc/09/54/65/337095465.db2.gz PFUDGDRZDNWSAS-YOGCLGLASA-N 1 0 307.419 2.091 10 0 DEAERO CC(C)c1nnc(CN2CC[NH+](C3CCCCC3)CC2)n1C ZINC000178745890 341963428 /nfs/dbraw/zinc/96/34/28/341963428.db2.gz KAWPIGSJXYMFLN-UHFFFAOYSA-N 1 0 305.470 2.389 10 0 DEAERO C[NH2+]CC1CCN(C(=O)Cc2c(C)nn(CC(C)C)c2C)CC1 ZINC000237330931 500783403 /nfs/dbraw/zinc/78/34/03/500783403.db2.gz GXUHDUHDUMMJCV-UHFFFAOYSA-N 1 0 320.481 2.156 10 0 DEAERO C[C@H]1CN(c2cncc(OCC3CCCC3)n2)C[C@H]1[NH+](C)C ZINC000302327940 533985535 /nfs/dbraw/zinc/98/55/35/533985535.db2.gz YPXICMYNYWGGRU-DZGCQCFKSA-N 1 0 304.438 2.432 10 0 DEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(F)c1Br ZINC000295938214 534101040 /nfs/dbraw/zinc/10/10/40/534101040.db2.gz AYZCDFJHTSURHF-GZMMTYOYSA-N 1 0 315.186 2.345 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000187954618 534202782 /nfs/dbraw/zinc/20/27/82/534202782.db2.gz RVPKWBAXLPJOEN-CXAGYDPISA-N 1 0 324.852 2.439 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000365973829 519451457 /nfs/dbraw/zinc/45/14/57/519451457.db2.gz FPGXYZIYMDVQJD-DOTOQJQBSA-N 1 0 315.417 2.026 10 0 DEAERO CCCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000112256070 519877450 /nfs/dbraw/zinc/87/74/50/519877450.db2.gz JTNJVBCIEBSQHU-UHFFFAOYSA-N 1 0 303.406 2.251 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2noc(C(C)C)n2)C[C@H]1CC ZINC000105838529 519922761 /nfs/dbraw/zinc/92/27/61/519922761.db2.gz UWAHVEIMIABIIX-CQSZACIVSA-N 1 0 310.442 2.126 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H](C)CO)c1ccsc1 ZINC000129704674 520861358 /nfs/dbraw/zinc/86/13/58/520861358.db2.gz LECKCAVNSSMSCP-GXTWGEPZSA-N 1 0 313.467 2.153 10 0 DEAERO CCC[C@H](C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1)[NH+](C)C ZINC000154897202 520985951 /nfs/dbraw/zinc/98/59/51/520985951.db2.gz LDPDUXWIUCGEGW-JKSUJKDBSA-N 1 0 323.481 2.014 10 0 DEAERO CCOc1ccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000106340222 520989086 /nfs/dbraw/zinc/98/90/86/520989086.db2.gz FUVOIRBOFJMJHU-AWEZNQCLSA-N 1 0 323.412 2.460 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000106865473 521356779 /nfs/dbraw/zinc/35/67/79/521356779.db2.gz KVUBOHAVADPFCQ-NVXWUHKLSA-N 1 0 304.434 2.270 10 0 DEAERO CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000111867808 521363289 /nfs/dbraw/zinc/36/32/89/521363289.db2.gz KIGBMEZZYVCDDK-KRWDZBQOSA-N 1 0 319.449 2.329 10 0 DEAERO CCCN(CC)c1ccc(C(=O)N2CCC([NH+](C)C)CC2)cn1 ZINC000101640751 521616646 /nfs/dbraw/zinc/61/66/46/521616646.db2.gz AWBPPEWEJHTVDG-UHFFFAOYSA-N 1 0 318.465 2.484 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)C1 ZINC000246095692 521644294 /nfs/dbraw/zinc/64/42/94/521644294.db2.gz MHZVAHXDKYAUNS-ZBFHGGJFSA-N 1 0 319.449 2.449 10 0 DEAERO CCCN(C[C@H]1CCCCO1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000106541553 521677304 /nfs/dbraw/zinc/67/73/04/521677304.db2.gz DQCAGTNJVCIEPF-HZPDHXFCSA-N 1 0 311.470 2.461 10 0 DEAERO C[NH2+]C1CCN(C(=O)CCCOCCc2ccccc2)CC1 ZINC000237062657 521947345 /nfs/dbraw/zinc/94/73/45/521947345.db2.gz XLRXAVLDKORTGA-UHFFFAOYSA-N 1 0 304.434 2.236 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)c1cnn2c1CCCC2)c1cccs1 ZINC000126721667 522085082 /nfs/dbraw/zinc/08/50/82/522085082.db2.gz ZCPYGWNIPRASFH-CQSZACIVSA-N 1 0 318.446 2.314 10 0 DEAERO COCCC1(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000131907968 523045284 /nfs/dbraw/zinc/04/52/84/523045284.db2.gz QWMGOZKTNOKFCY-INIZCTEOSA-N 1 0 319.449 2.405 10 0 DEAERO CC[C@@H]1CN([C@@H](C)c2nc(C(C)(C)C)no2)CC[N@@H+]1CCOC ZINC000105836825 523464016 /nfs/dbraw/zinc/46/40/16/523464016.db2.gz OVOCLQWPNPOVST-UONOGXRCSA-N 1 0 324.469 2.471 10 0 DEAERO CC[C@@H]1Oc2cc([C@H](C)NC(=O)CC[C@H](C)[NH3+])ccc2NC1=O ZINC000248873921 523603746 /nfs/dbraw/zinc/60/37/46/523603746.db2.gz PVRHZBWSWFSASX-MJVIPROJSA-N 1 0 319.405 2.101 10 0 DEAERO CCc1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1C ZINC000245545196 523807962 /nfs/dbraw/zinc/80/79/62/523807962.db2.gz LQKUNWCUFZJSFC-GJZGRUSLSA-N 1 0 319.449 2.476 10 0 DEAERO COc1cccc2c1CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC2 ZINC000365892356 524207976 /nfs/dbraw/zinc/20/79/76/524207976.db2.gz GIUGCQNVXUGRNR-CQSZACIVSA-N 1 0 319.449 2.146 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1nncs1 ZINC000157774007 525011645 /nfs/dbraw/zinc/01/16/45/525011645.db2.gz PVQVQAYBXBLLPS-YPMHNXCESA-N 1 0 317.418 2.180 10 0 DEAERO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000245820357 525057797 /nfs/dbraw/zinc/05/77/97/525057797.db2.gz LMEDPGDBGUTZCY-NEPJUHHUSA-N 1 0 323.824 2.173 10 0 DEAERO CC(=O)N1Cc2ccc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2C1 ZINC000377981558 534830813 /nfs/dbraw/zinc/83/08/13/534830813.db2.gz FJBVQRQGCYSYIK-JSGCOSHPSA-N 1 0 315.417 2.218 10 0 DEAERO CC(=O)c1ccc(CC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000371245063 534839526 /nfs/dbraw/zinc/83/95/26/534839526.db2.gz SFZSYFWESDEFED-MSOLQXFVSA-N 1 0 314.429 2.422 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccco2)cc1F ZINC000102698668 525317270 /nfs/dbraw/zinc/31/72/70/525317270.db2.gz OHGZUCNCBJJJKV-NSHDSACASA-N 1 0 306.337 2.394 10 0 DEAERO CSCCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188992436 525378084 /nfs/dbraw/zinc/37/80/84/525378084.db2.gz MWMSNORINBWTJM-SMDDNHRTSA-N 1 0 314.401 2.280 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC2(C)COC2)C1 ZINC000112716906 525381309 /nfs/dbraw/zinc/38/13/09/525381309.db2.gz LSVNSDOQOHSBQO-GASCZTMLSA-N 1 0 311.470 2.080 10 0 DEAERO CC(=O)c1ccc(SCC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1F ZINC000261810422 534878139 /nfs/dbraw/zinc/87/81/39/534878139.db2.gz MOWGPOCNKAZJGS-JQWIXIFHSA-N 1 0 324.421 2.316 10 0 DEAERO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000161781339 525897181 /nfs/dbraw/zinc/89/71/81/525897181.db2.gz IHVKWLQLAOBAKY-LSDHHAIUSA-N 1 0 322.474 2.389 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261722442 534891696 /nfs/dbraw/zinc/89/16/96/534891696.db2.gz JJXQNJVFRJMXBB-MLGOLLRUSA-N 1 0 317.433 2.275 10 0 DEAERO C[C@H](C(=O)N1CC[C@@H](c2cnn(C)c2)C1)[C@H]([NH3+])c1ccccc1 ZINC000246221734 525992462 /nfs/dbraw/zinc/99/24/62/525992462.db2.gz GTZUXTXDPUVEFZ-LXZKKBNFSA-N 1 0 312.417 2.072 10 0 DEAERO Cc1noc(C)c1CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000107354749 526494034 /nfs/dbraw/zinc/49/40/34/526494034.db2.gz OMXCXFXVDUFGAT-QGZVFWFLSA-N 1 0 315.417 2.123 10 0 DEAERO O=C(CCc1ccccc1O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127281105 526614118 /nfs/dbraw/zinc/61/41/18/526614118.db2.gz RTIXEELPSUUHKY-OAHLLOKOSA-N 1 0 302.418 2.269 10 0 DEAERO COC[C@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192624017 536529128 /nfs/dbraw/zinc/52/91/28/536529128.db2.gz QLQMSLHZUMITDF-ZDUSSCGKSA-N 1 0 306.431 2.458 10 0 DEAERO CCOC(=O)C1CCC(O)(C[NH2+][C@H](CC)[C@@H]2CCCO2)CC1 ZINC000191053264 528629608 /nfs/dbraw/zinc/62/96/08/528629608.db2.gz HIGBXJKUKCUUGK-DGNOSDGRSA-N 1 0 313.438 2.018 10 0 DEAERO CC(C)(C)n1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)nn1 ZINC000191463760 534945076 /nfs/dbraw/zinc/94/50/76/534945076.db2.gz IVYDMRSAFCLSLQ-AWEZNQCLSA-N 1 0 319.453 2.124 10 0 DEAERO CC(C)(CNC(=O)c1[nH]nc2c1C[NH2+]CC2)C1CCCCC1 ZINC000188988868 535140021 /nfs/dbraw/zinc/14/00/21/535140021.db2.gz FTMQJPONKOHMTF-UHFFFAOYSA-N 1 0 304.438 2.392 10 0 DEAERO CCC(O)(CC)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248062699 535218690 /nfs/dbraw/zinc/21/86/90/535218690.db2.gz PKAUSUYETFFABR-CVEARBPZSA-N 1 0 319.449 2.282 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2COc3ccccc32)C1 ZINC000246514197 535259613 /nfs/dbraw/zinc/25/96/13/535259613.db2.gz XCXQAISUMFDEOY-HOCLYGCPSA-N 1 0 317.433 2.493 10 0 DEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000261971141 535297977 /nfs/dbraw/zinc/29/79/77/535297977.db2.gz ZATXHZOXKNQINM-MRXNPFEDSA-N 1 0 312.417 2.267 10 0 DEAERO CC1(C)CN(CC(=O)NCc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000261790864 535352537 /nfs/dbraw/zinc/35/25/37/535352537.db2.gz NPVIWRAUSUDCAS-CQSZACIVSA-N 1 0 309.841 2.015 10 0 DEAERO CC(C)C(=O)N1CCC(NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000261894055 535372870 /nfs/dbraw/zinc/37/28/70/535372870.db2.gz ODMFDAQHPVEEDB-INIZCTEOSA-N 1 0 323.481 2.047 10 0 DEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCC[N@H+](CC)C2)C12CCC2 ZINC000248043615 535389433 /nfs/dbraw/zinc/38/94/33/535389433.db2.gz ULBGJKLRDCPLHG-BZUAXINKSA-N 1 0 323.481 2.460 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@@H](C(C)C)C(C)(C)O)CC1 ZINC000358917460 535447627 /nfs/dbraw/zinc/44/76/27/535447627.db2.gz UWDDXVKGKWEONJ-HNNXBMFYSA-N 1 0 313.486 2.203 10 0 DEAERO CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CCC1 ZINC000262019309 535488542 /nfs/dbraw/zinc/48/85/42/535488542.db2.gz WLGMLZUXDNTTEY-GVDBMIGSSA-N 1 0 310.482 2.330 10 0 DEAERO CC[NH+](CC)CCCNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000358481873 535515816 /nfs/dbraw/zinc/51/58/16/535515816.db2.gz QJJYGKQSHFHBPI-UHFFFAOYSA-N 1 0 303.410 2.094 10 0 DEAERO CCOc1ccccc1NC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247109562 535532370 /nfs/dbraw/zinc/53/23/70/535532370.db2.gz IXYVPZORBUVXKI-CABCVRRESA-N 1 0 317.433 2.192 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccnn2[C@H](C)C2CC2)C1 ZINC000249462960 535578183 /nfs/dbraw/zinc/57/81/83/535578183.db2.gz RIASGNARPSUPNH-OCCSQVGLSA-N 1 0 305.426 2.460 10 0 DEAERO CCOCC[N@@H+]1CCN([C@H](C)c2nc(CC)no2)C[C@@H]1CC ZINC000247018428 535608815 /nfs/dbraw/zinc/60/88/15/535608815.db2.gz COKSLAHMRBHTGH-KGLIPLIRSA-N 1 0 310.442 2.126 10 0 DEAERO CCN(CCc1cccs1)C(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000261904113 535757815 /nfs/dbraw/zinc/75/78/15/535757815.db2.gz FIIGMGNXHLCAKC-INIZCTEOSA-N 1 0 310.463 2.155 10 0 DEAERO CC[C@@H]1CN(CCc2ccc(OC)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247178751 535859947 /nfs/dbraw/zinc/85/99/47/535859947.db2.gz NKGJYNLGUOBCMR-DOTOQJQBSA-N 1 0 306.450 2.015 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000246316620 535874763 /nfs/dbraw/zinc/87/47/63/535874763.db2.gz NUXQQRLCTHGBND-IBEHDNSVSA-N 1 0 321.465 2.068 10 0 DEAERO CCc1cccc(OCCN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000247120713 535906063 /nfs/dbraw/zinc/90/60/63/535906063.db2.gz JRGFVHMHPYBXOR-HOTGVXAUSA-N 1 0 306.450 2.015 10 0 DEAERO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1nccn1C ZINC000374791861 535911225 /nfs/dbraw/zinc/91/12/25/535911225.db2.gz HZQCWLPTZLIJSX-QLFBSQMISA-N 1 0 307.438 2.029 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC000193402109 535939836 /nfs/dbraw/zinc/93/98/36/535939836.db2.gz YYUNMDBVFVWXRP-IEBWSBKVSA-N 1 0 324.424 2.279 10 0 DEAERO CCn1c(C)nnc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246450957 535974945 /nfs/dbraw/zinc/97/49/45/535974945.db2.gz DXNMMQQJNVZPBV-HOCLYGCPSA-N 1 0 303.454 2.055 10 0 DEAERO C[NH2+][C@@H](C)CNC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000261694986 536339506 /nfs/dbraw/zinc/33/95/06/536339506.db2.gz IVKKLFGLKJBUOY-ZDUSSCGKSA-N 1 0 319.449 2.328 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCCc3ccccn3)CC[C@H]21 ZINC000246761364 536378121 /nfs/dbraw/zinc/37/81/21/536378121.db2.gz YEEVYSDYCQEYIX-NVXWUHKLSA-N 1 0 316.449 2.140 10 0 DEAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000261817018 536398913 /nfs/dbraw/zinc/39/89/13/536398913.db2.gz UAUVXWOAQGPWND-JIMOISOXSA-N 1 0 311.223 2.277 10 0 DEAERO C[NH2+][C@H](C)CNC(=O)c1csc(CCc2ccccc2)n1 ZINC000261855392 536402184 /nfs/dbraw/zinc/40/21/84/536402184.db2.gz XTZYJQIGXFEKRQ-GFCCVEGCSA-N 1 0 303.431 2.266 10 0 DEAERO CN(Cc1cc2ccccc2o1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261703791 536461653 /nfs/dbraw/zinc/46/16/53/536461653.db2.gz BNSZVCOMPUIVGZ-INIZCTEOSA-N 1 0 302.374 2.145 10 0 DEAERO CN(Cc1ccccc1F)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261919713 536482628 /nfs/dbraw/zinc/48/26/28/536482628.db2.gz RKQSDTUHEQFUCK-QIIPPGSGSA-N 1 0 320.408 2.317 10 0 DEAERO COCCOC[C@@H]1CC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000248557009 536533387 /nfs/dbraw/zinc/53/33/87/536533387.db2.gz LHMSWZNZFIUQCX-QGZVFWFLSA-N 1 0 324.440 2.242 10 0 DEAERO COC(=O)c1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)[nH]1 ZINC000375400566 536674977 /nfs/dbraw/zinc/67/49/77/536674977.db2.gz FWJYCEUKZPKSEA-NSHDSACASA-N 1 0 316.361 2.051 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(NC(C)=O)cc3)[C@@H]2C1 ZINC000246859251 536698836 /nfs/dbraw/zinc/69/88/36/536698836.db2.gz SIQFFCMWUACFPW-KURKYZTESA-N 1 0 318.417 2.413 10 0 DEAERO COc1ccc(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000262489859 536888795 /nfs/dbraw/zinc/88/87/95/536888795.db2.gz KWEFWRRNGJZKAD-OAHLLOKOSA-N 1 0 306.406 2.098 10 0 DEAERO COc1cccc(COCc2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)c1 ZINC000261777030 537109777 /nfs/dbraw/zinc/10/97/77/537109777.db2.gz NOOZTFKHPOTACC-WMLDXEAASA-N 1 0 315.373 2.262 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000724101887 563496415 /nfs/dbraw/zinc/49/64/15/563496415.db2.gz RVRZWRHKXSIWJF-SJCJKPOMSA-N 1 0 320.437 2.466 10 0 DEAERO Cn1ncc(C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)n1 ZINC000309693713 625314350 /nfs/dbraw/zinc/31/43/50/625314350.db2.gz CQGLFDOIOLFYDI-UONOGXRCSA-N 1 0 323.441 2.131 10 0 DEAERO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(F)nc1 ZINC000189082924 625462615 /nfs/dbraw/zinc/46/26/15/625462615.db2.gz HMRXSYUNAQCANP-HNNXBMFYSA-N 1 0 301.365 2.010 10 0 DEAERO CCCCOc1cccc(CNC(=[NH2+])NC[C@@H]2CCCO2)c1 ZINC000066243484 622738989 /nfs/dbraw/zinc/73/89/89/622738989.db2.gz MFIAKPWBVXVVAY-INIZCTEOSA-N 1 0 305.422 2.449 10 0 DEAERO O=C(/C=C\c1ccccc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000255438288 624748908 /nfs/dbraw/zinc/74/89/08/624748908.db2.gz OPRZTPDZCFLFKI-CDNLZTBQSA-N 1 0 322.836 2.316 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000255485874 624832513 /nfs/dbraw/zinc/83/25/13/624832513.db2.gz GVKJHAQVKAAMGJ-IQCBXXCUSA-N 1 0 316.401 2.419 10 0 DEAERO O=S(=O)(/C=C\c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000255494288 624845700 /nfs/dbraw/zinc/84/57/00/624845700.db2.gz IQYBZMWXNVYLLI-OVHOFWQVSA-N 1 0 306.431 2.157 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000052808808 625105895 /nfs/dbraw/zinc/10/58/95/625105895.db2.gz YTFYKJYFWXMJGQ-GFCCVEGCSA-N 1 0 305.205 2.316 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000178983302 625140126 /nfs/dbraw/zinc/14/01/26/625140126.db2.gz MSBLMPQLJQEIKU-UHFFFAOYSA-N 1 0 310.829 2.167 10 0 DEAERO Cc1nn(C)c(C)c1CCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161754126 625170059 /nfs/dbraw/zinc/17/00/59/625170059.db2.gz AMHDPZCIOGBJSQ-UHFFFAOYSA-N 1 0 307.438 2.245 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000177163772 625867204 /nfs/dbraw/zinc/86/72/04/625867204.db2.gz YORRUKIWWLWKNG-IRXDYDNUSA-N 1 0 301.434 2.334 10 0 DEAERO CC[S@@](=O)CC[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000735084229 633464234 /nfs/dbraw/zinc/46/42/34/633464234.db2.gz BNLWDBCSLPONIL-HXUWFJFHSA-N 1 0 311.476 2.475 10 0 DEAERO CCCCO[C@@H](C)C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000125002761 633479827 /nfs/dbraw/zinc/47/98/27/633479827.db2.gz GNXILMWDYSVUJL-LSDHHAIUSA-N 1 0 301.427 2.092 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000313265790 633503381 /nfs/dbraw/zinc/50/33/81/633503381.db2.gz ZRMMFWRMAWNERH-FLIBITNWSA-N 1 0 314.838 2.324 10 0 DEAERO Cn1cc(O[C@@H]2CCC[C@@H]2[NH2+]C2CC3(C2)CCOCC3)cn1 ZINC000888099109 635546511 /nfs/dbraw/zinc/54/65/11/635546511.db2.gz SOWCYJAEKDVKQL-JKSUJKDBSA-N 1 0 305.422 2.269 10 0 DEAERO O=C(Cc1ccc(Br)cc1)N[C@H]1C[NH+]2CCC1CC2 ZINC000222591459 636364009 /nfs/dbraw/zinc/36/40/09/636364009.db2.gz ASSTUMJYNNPLSC-AWEZNQCLSA-N 1 0 323.234 2.202 10 0 DEAERO C[C@@H]([NH2+]C[C@H](C)CO)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000086630236 636606219 /nfs/dbraw/zinc/60/62/19/636606219.db2.gz XKGCSKXHTXOIAC-BFHYXJOUSA-N 1 0 300.443 2.240 10 0 DEAERO CC(C)(C)OC(=O)N1CCC([C@@H](CO)CC[NH2+]C2CC2)CC1 ZINC000685963827 637270379 /nfs/dbraw/zinc/27/03/79/637270379.db2.gz XWPULYMOAZLXNR-CQSZACIVSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@H]([NH3+])C1CCN(S(=O)(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000178924769 637295287 /nfs/dbraw/zinc/29/52/87/637295287.db2.gz SCUAQSKWQDQKBT-OBIHZWKSSA-N 1 0 312.410 2.185 10 0 DEAERO Cc1ccc2c(C[N@H+]3C[C@H](C(N)=O)CC[C@@H]3C)cc(=O)oc2c1 ZINC000104076054 650386203 /nfs/dbraw/zinc/38/62/03/650386203.db2.gz DSKOIXQKRVNSDA-QWHCGFSZSA-N 1 0 314.385 2.187 10 0 DEAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2cccc(F)c2)o1 ZINC000743849551 638178675 /nfs/dbraw/zinc/17/86/75/638178675.db2.gz UEUCEWKCNNHIIL-PBWFPOADSA-N 1 0 303.337 2.363 10 0 DEAERO COC(=O)/C(C)=C/CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000746498982 638349252 /nfs/dbraw/zinc/34/92/52/638349252.db2.gz AVNFJTNPKZPNHS-OVCLIPMQSA-N 1 0 320.408 2.453 10 0 DEAERO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C/C=C(\C)C(=O)OC)C1 ZINC000746503937 638349856 /nfs/dbraw/zinc/34/98/56/638349856.db2.gz QEJLPONOQLJZBM-IVBVFNMWSA-N 1 0 310.438 2.123 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C/C=C(/C)C(=O)OC)C1 ZINC000746501444 638350107 /nfs/dbraw/zinc/35/01/07/638350107.db2.gz LSHALLSWSXDMHK-FVIMBVCGSA-N 1 0 310.438 2.123 10 0 DEAERO COC(=O)/C(C)=C/C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000746500334 638350304 /nfs/dbraw/zinc/35/03/04/638350304.db2.gz SCDDIOJXNLVEBG-KADHNRKRSA-N 1 0 314.389 2.379 10 0 DEAERO O=C1[C@@H]([NH2+]C[C@H]2CCc3ccccc32)CCN1C1CCOCC1 ZINC000747816029 638480724 /nfs/dbraw/zinc/48/07/24/638480724.db2.gz QHRRNXPKDHZKRQ-QAPCUYQASA-N 1 0 314.429 2.086 10 0 DEAERO COC(=O)/C(C)=C\C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000748816400 638594788 /nfs/dbraw/zinc/59/47/88/638594788.db2.gz SZVJETGWHXACPV-RAXLEYEMSA-N 1 0 316.401 2.130 10 0 DEAERO CN(C)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000749455430 638650799 /nfs/dbraw/zinc/65/07/99/638650799.db2.gz VJCKBSVJHRXAIR-QWHCGFSZSA-N 1 0 324.856 2.404 10 0 DEAERO CCC[NH2+]CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000054267498 639347030 /nfs/dbraw/zinc/34/70/30/639347030.db2.gz STRFVVBADGCTDM-UHFFFAOYSA-N 1 0 310.341 2.392 10 0 DEAERO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)CC(F)(F)F ZINC000526058727 639568888 /nfs/dbraw/zinc/56/88/88/639568888.db2.gz MFVOLDIMRJJLPM-NSHDSACASA-N 1 0 305.296 2.203 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000321593974 640228238 /nfs/dbraw/zinc/22/82/38/640228238.db2.gz JOIVUNQTBMOJLN-QZTJIDSGSA-N 1 0 311.433 2.374 10 0 DEAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000191239073 640777583 /nfs/dbraw/zinc/77/75/83/640777583.db2.gz NDJGESDJUVVOLS-BDAKNGLRSA-N 1 0 300.761 2.271 10 0 DEAERO O=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000044502654 641116327 /nfs/dbraw/zinc/11/63/27/641116327.db2.gz JUNDJDHCCLSMBW-XOVSCCBYSA-N 1 0 314.838 2.230 10 0 DEAERO CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000104847603 650796225 /nfs/dbraw/zinc/79/62/25/650796225.db2.gz NQPYPZWNXGQJJF-STQMWFEESA-N 1 0 315.458 2.136 10 0 DEAERO Cc1nc2c(nccc2C(=O)NCCC[N@H+]2CCCC[C@H]2C)[nH]1 ZINC000436079173 642984944 /nfs/dbraw/zinc/98/49/44/642984944.db2.gz JSWCLAJOELLSTI-GFCCVEGCSA-N 1 0 315.421 2.261 10 0 DEAERO CC[C@](O)(C(=O)NCCCC[NH+](C)C)c1cccc(Cl)c1 ZINC000800494479 645280567 /nfs/dbraw/zinc/28/05/67/645280567.db2.gz WIUDFNQGTLYKRF-MRXNPFEDSA-N 1 0 312.841 2.396 10 0 DEAERO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000800739602 645301712 /nfs/dbraw/zinc/30/17/12/645301712.db2.gz QYZHIYRQTPVHFE-WBMJQRKESA-N 1 0 321.852 2.400 10 0 DEAERO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCO[C@H](C(F)F)C1 ZINC000801008655 645328957 /nfs/dbraw/zinc/32/89/57/645328957.db2.gz IAHYJZGCUBJLDF-GJZGRUSLSA-N 1 0 324.371 2.144 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](CCSC(C)(C)C)CC1 ZINC000801943643 645467399 /nfs/dbraw/zinc/46/73/99/645467399.db2.gz CEAPOTIJECCENA-UHFFFAOYSA-N 1 0 302.484 2.087 10 0 DEAERO O=C(Cc1cccs1)NCC1(C[NH+]2CCCC2)CCOCC1 ZINC000223605141 646500228 /nfs/dbraw/zinc/50/02/28/646500228.db2.gz ZBDXPTSYWQENKD-UHFFFAOYSA-N 1 0 322.474 2.299 10 0 DEAERO O[C@@H](C[NH2+]C[C@H]1CSCCS1)c1cc(F)ccc1F ZINC000229602296 646693778 /nfs/dbraw/zinc/69/37/78/646693778.db2.gz MHTJJVRXMODMQE-GWCFXTLKSA-N 1 0 305.415 2.436 10 0 DEAERO C/C=C(/C)C[N@H+]1C[C@H](NC(=O)CCOC)[C@@H](c2ccc(C)o2)C1 ZINC000229965417 646709330 /nfs/dbraw/zinc/70/93/30/646709330.db2.gz SJBLFOAPSXMDEN-WYMQAPTCSA-N 1 0 320.433 2.475 10 0 DEAERO CC(C)Cc1nnc(NC(=O)c2csc([C@@H](C)N)n2)s1 ZINC000230295673 646726438 /nfs/dbraw/zinc/72/64/38/646726438.db2.gz ZNOZWUROCSQJDF-SSDOTTSWSA-N 1 0 311.436 2.465 10 0 DEAERO COc1cc(C[NH2+]C2CC(OC)C2)cc(Br)c1O ZINC000230688993 646745203 /nfs/dbraw/zinc/74/52/03/646745203.db2.gz UTMRQRAJYCSFPK-UHFFFAOYSA-N 1 0 316.195 2.430 10 0 DEAERO Cc1cc(C)cc([C@H](O)CN2CCC([N@H+](C)CCCO)CC2)c1 ZINC000173754499 646778384 /nfs/dbraw/zinc/77/83/84/646778384.db2.gz NIAWMTKIKZNXRZ-LJQANCHMSA-N 1 0 320.477 2.115 10 0 DEAERO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000232168649 646794334 /nfs/dbraw/zinc/79/43/34/646794334.db2.gz PDPUDQSTURUELG-CQSZACIVSA-N 1 0 321.421 2.437 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NOCc1ccccc1 ZINC000174715323 646949676 /nfs/dbraw/zinc/94/96/76/646949676.db2.gz IRLLQZGSXVPSJS-HZPDHXFCSA-N 1 0 303.406 2.386 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1c2ccc(Cl)cc2oc1=O ZINC000153235657 647393868 /nfs/dbraw/zinc/39/38/68/647393868.db2.gz IZZDMCZXYATZSK-WCQYABFASA-N 1 0 321.808 2.374 10 0 DEAERO c1ccc2c(c1)O[C@H](c1noc(C[C@H]3CC[NH2+]C3)n1)CS2 ZINC000232486520 647466026 /nfs/dbraw/zinc/46/60/26/647466026.db2.gz ATIWUZARJLLFSQ-PWSUYJOCSA-N 1 0 303.387 2.447 10 0 DEAERO CN(C)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc(Cl)n1 ZINC000733096157 647865256 /nfs/dbraw/zinc/86/52/56/647865256.db2.gz SDDZLDOTKUJELK-QWHCGFSZSA-N 1 0 322.840 2.158 10 0 DEAERO COC(=O)CCNC(=O)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154370771 647995807 /nfs/dbraw/zinc/99/58/07/647995807.db2.gz PNJSJKMHZVNWGX-CYBMUJFWSA-N 1 0 320.433 2.314 10 0 DEAERO O[C@H](C[NH2+][C@H]1COc2ccccc21)COCc1cccs1 ZINC000070529742 648943233 /nfs/dbraw/zinc/94/32/33/648943233.db2.gz WBQUMRLSDUQZLV-DOMZBBRYSA-N 1 0 305.399 2.349 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184114468 649238012 /nfs/dbraw/zinc/23/80/12/649238012.db2.gz FKGGIDBTIMDTKD-GOSISDBHSA-N 1 0 319.445 2.466 10 0 DEAERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(CCO)CCOC2)cc1Cl ZINC000185303187 649491673 /nfs/dbraw/zinc/49/16/73/649491673.db2.gz VNSFGAOJXKUUJR-CQSZACIVSA-N 1 0 314.769 2.127 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)COCc2ccccc2)C1 ZINC000073188292 649659721 /nfs/dbraw/zinc/65/97/21/649659721.db2.gz QEPUXTBSTYNIFX-KRWDZBQOSA-N 1 0 321.417 2.103 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc2c(c1)CCC2 ZINC000113229426 651667897 /nfs/dbraw/zinc/66/78/97/651667897.db2.gz ISJIJDZPTYPTLL-RHSMWYFYSA-N 1 0 314.429 2.249 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCn3ccnc32)C1 ZINC000379176400 685390593 /nfs/dbraw/zinc/39/05/93/685390593.db2.gz QRMFBHXDYMCFRN-QWHCGFSZSA-N 1 0 306.410 2.175 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000382541236 685404542 /nfs/dbraw/zinc/40/45/42/685404542.db2.gz YEYBHXVEUCBHIW-SNRDVKANSA-N 1 0 314.838 2.358 10 0 DEAERO [NH3+]CC[C@@H](NS(=O)(=O)/C=C\c1ccc(Cl)cc1)C(F)F ZINC000383558607 685407759 /nfs/dbraw/zinc/40/77/59/685407759.db2.gz RXXCFZBNAGJTRP-BPOWMSRESA-N 1 0 324.780 2.213 10 0 DEAERO C[C@H](CCC[NH3+])NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000388325303 685427538 /nfs/dbraw/zinc/42/75/38/685427538.db2.gz JUTMPOQJAYHVCM-RJCSOLBVSA-N 1 0 302.827 2.358 10 0 DEAERO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cn(C)nn1 ZINC000389816186 685436258 /nfs/dbraw/zinc/43/62/58/685436258.db2.gz PXYSLVUZLYBGTA-OCCSQVGLSA-N 1 0 323.441 2.083 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CN1CCOC1=S ZINC000077164965 683949612 /nfs/dbraw/zinc/94/96/12/683949612.db2.gz QBDPETPHUQDFSS-HNNXBMFYSA-N 1 0 319.474 2.157 10 0 DEAERO CCOCCO[C@@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117093167 684067506 /nfs/dbraw/zinc/06/75/06/684067506.db2.gz OSQVKTNNNPUPSG-DOTOQJQBSA-N 1 0 321.417 2.246 10 0 DEAERO CC[C@@H]1CC(=O)N(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC000119279859 684079107 /nfs/dbraw/zinc/07/91/07/684079107.db2.gz HKUSAXSKDAUTGY-HUUCEWRRSA-N 1 0 323.481 2.075 10 0 DEAERO CCOC(=O)CN1CCC(COC(=O)c2cccc(C)c2)CC1 ZINC000124799132 684138385 /nfs/dbraw/zinc/13/83/85/684138385.db2.gz RDTYGFZZBSVMSH-UHFFFAOYSA-N 1 0 319.401 2.427 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cncnc2)C1 ZINC000131363671 684199196 /nfs/dbraw/zinc/19/91/96/684199196.db2.gz WARWGTNLLCNGEV-KGLIPLIRSA-N 1 0 306.410 2.402 10 0 DEAERO CCCC(=O)N[C@@H]1CCC[N@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000190202413 684398354 /nfs/dbraw/zinc/39/83/54/684398354.db2.gz FEPGTSXCMQFCKQ-MRXNPFEDSA-N 1 0 324.465 2.300 10 0 DEAERO O=C(CCOCC(F)F)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192234663 684445460 /nfs/dbraw/zinc/44/54/60/684445460.db2.gz RXHFFSXXQVJJFN-AWEZNQCLSA-N 1 0 313.344 2.476 10 0 DEAERO COc1cc2c(c(C[NH2+]CC3(C)OCCCO3)c1)O[C@@H](C)C2 ZINC000192253178 684446282 /nfs/dbraw/zinc/44/62/82/684446282.db2.gz TZRUZYNKBFMJJH-LBPRGKRZSA-N 1 0 307.390 2.261 10 0 DEAERO CCCc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000194151854 685058013 /nfs/dbraw/zinc/05/80/13/685058013.db2.gz IZKKXQHSJMCLCT-MRXNPFEDSA-N 1 0 317.433 2.178 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCSC(F)(F)F ZINC000194449044 685066989 /nfs/dbraw/zinc/06/69/89/685066989.db2.gz VLYJKOMTNJHDFE-SECBINFHSA-N 1 0 301.378 2.269 10 0 DEAERO CCCn1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)cn1 ZINC000246093424 685122799 /nfs/dbraw/zinc/12/27/99/685122799.db2.gz NSUKUYJWFKSSRN-HUUCEWRRSA-N 1 0 305.426 2.384 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(Br)c1 ZINC000246101351 685123269 /nfs/dbraw/zinc/12/32/69/685123269.db2.gz NBBRVUAZXNNJOM-JQWIXIFHSA-N 1 0 324.222 2.153 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@H]2CSCCS2)C1 ZINC000246502556 685131321 /nfs/dbraw/zinc/13/13/21/685131321.db2.gz BFXPBOPXBOMYCJ-AGIUHOORSA-N 1 0 302.509 2.070 10 0 DEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000246586776 685132814 /nfs/dbraw/zinc/13/28/14/685132814.db2.gz ZCHQGDVRDAAILB-ILXRZTDVSA-N 1 0 305.484 2.098 10 0 DEAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248831723 685169089 /nfs/dbraw/zinc/16/90/89/685169089.db2.gz ILAXHIZZXSOEIN-CHWSQXEVSA-N 1 0 309.406 2.136 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCOC(F)F ZINC000398319727 790264538 /nfs/dbraw/zinc/26/45/38/790264538.db2.gz XYSPOHCUWYZQKO-MNOVXSKESA-N 1 0 308.369 2.461 10 0 DEAERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCOC(F)F ZINC000398319728 790265339 /nfs/dbraw/zinc/26/53/39/790265339.db2.gz XYSPOHCUWYZQKO-QWRGUYRKSA-N 1 0 308.369 2.461 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000722593519 776537174 /nfs/dbraw/zinc/53/71/74/776537174.db2.gz BHXXOKUGOGEWGX-TVQRCGJNSA-N 1 0 316.492 2.279 10 0 DEAERO CC(C)(C[NH2+][C@H]1CCOC2(CCCC2)C1)CS(C)(=O)=O ZINC000723851337 777188532 /nfs/dbraw/zinc/18/85/32/777188532.db2.gz WRXKMMIEQDEFSL-ZDUSSCGKSA-N 1 0 303.468 2.139 10 0 DEAERO CC[C@H]([NH2+]CCn1cc(Br)cn1)[C@H]1CCCOC1 ZINC000724007738 777219922 /nfs/dbraw/zinc/21/99/22/777219922.db2.gz SLVIJIQOFCDKTL-AAEUAGOBSA-N 1 0 316.243 2.440 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CCN1C ZINC000724036824 777225119 /nfs/dbraw/zinc/22/51/19/777225119.db2.gz QKDMZLFKEXNGII-BBBLOLIVSA-N 1 0 304.303 2.007 10 0 DEAERO C[C@@](O)(C[NH2+]CCCOCC1CC1)C(F)(F)C(F)(F)F ZINC000724037933 777226802 /nfs/dbraw/zinc/22/68/02/777226802.db2.gz WIJGRNJYNMEGDS-SNVBAGLBSA-N 1 0 305.287 2.341 10 0 DEAERO C[C@](O)(C[NH2+]CCC[C@H]1CCOC1)C(F)(F)C(F)(F)F ZINC000724041282 777227890 /nfs/dbraw/zinc/22/78/90/777227890.db2.gz NCTNPBOSIISTGC-UWVGGRQHSA-N 1 0 305.287 2.341 10 0 DEAERO C[C@@](O)(C[N@@H+]1CC[C@H](O)C(C)(C)C1)C(F)(F)C(F)(F)F ZINC000724041309 777228624 /nfs/dbraw/zinc/22/86/24/777228624.db2.gz NIGHVYFYRFAAHE-WCBMZHEXSA-N 1 0 305.287 2.028 10 0 DEAERO C[C@](O)(C[N@@H+]1CCC[C@@](C)(O)CC1)C(F)(F)C(F)(F)F ZINC000724041751 777228940 /nfs/dbraw/zinc/22/89/40/777228940.db2.gz OVVRXXACHZSVGY-ZJUUUORDSA-N 1 0 305.287 2.172 10 0 DEAERO CCC(CC)[C@H](O)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724046416 777230312 /nfs/dbraw/zinc/23/03/12/777230312.db2.gz CVPHOUBIICKNCJ-ZJUUUORDSA-N 1 0 307.303 2.322 10 0 DEAERO C[C@H](O)[C@@H]1CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724061012 777233633 /nfs/dbraw/zinc/23/36/33/777233633.db2.gz ICVYFHYHDVAJOS-AEJSXWLSSA-N 1 0 305.287 2.028 10 0 DEAERO COC1CCC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724110663 777242020 /nfs/dbraw/zinc/24/20/20/777242020.db2.gz RROCKZVJLZKHKT-UDNWOFFPSA-N 1 0 305.287 2.482 10 0 DEAERO COCC1CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724110735 777243008 /nfs/dbraw/zinc/24/30/08/777243008.db2.gz JLEHKKMQOGPOBY-JTQLQIEISA-N 1 0 305.287 2.293 10 0 DEAERO C[C@@H]([NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1)[C@@H]1CCCCO1 ZINC000724660083 777442514 /nfs/dbraw/zinc/44/25/14/777442514.db2.gz IPFHIHQPNSICER-UPJWGTAASA-N 1 0 300.399 2.085 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000725115444 777589365 /nfs/dbraw/zinc/58/93/65/777589365.db2.gz UBMDVFPAPCJSHK-BXKDBHETSA-N 1 0 302.465 2.113 10 0 DEAERO CCO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722500549 778742532 /nfs/dbraw/zinc/74/25/32/778742532.db2.gz DDNAHVOHFVLJFS-HZSPNIEDSA-N 1 0 314.426 2.475 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c1C ZINC000722567716 778788526 /nfs/dbraw/zinc/78/85/26/778788526.db2.gz NNBIXJSEILTDIK-PELKAZGASA-N 1 0 302.465 2.174 10 0 DEAERO CO[C@]1(C[NH2+][C@H]2CCCCCC2(C)C)CCS(=O)(=O)C1 ZINC000721240598 781736141 /nfs/dbraw/zinc/73/61/41/781736141.db2.gz AUXVXROEGWMPNN-ZFWWWQNUSA-N 1 0 303.468 2.139 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000721122419 783900936 /nfs/dbraw/zinc/90/09/36/783900936.db2.gz BUZRSYHLENXGGB-ZJUUUORDSA-N 1 0 307.337 2.335 10 0 DEAERO CCO[C@H]1CCC[C@@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)C1 ZINC000721231176 784270619 /nfs/dbraw/zinc/27/06/19/784270619.db2.gz PEZOGQLNDLAXDV-KGLIPLIRSA-N 1 0 303.468 2.139 10 0 DEAERO COc1cc(Br)ccc1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000712321979 784816639 /nfs/dbraw/zinc/81/66/39/784816639.db2.gz ZHXUQAOPIHSPTD-JTQLQIEISA-N 1 0 311.179 2.444 10 0 DEAERO C[C@H]([NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000721932022 787325867 /nfs/dbraw/zinc/32/58/67/787325867.db2.gz QDARAAFNXCUUSG-ZDUSSCGKSA-N 1 0 311.470 2.364 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCc1ccccc1Br ZINC000722552352 787330742 /nfs/dbraw/zinc/33/07/42/787330742.db2.gz YGLIRRDLEQBTBF-ZYHUDNBSSA-N 1 0 311.223 2.311 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c1C ZINC000722594013 787334364 /nfs/dbraw/zinc/33/43/64/787334364.db2.gz OQWPELSDEALVNE-NXEZZACHSA-N 1 0 302.465 2.044 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1C ZINC000722594168 787334483 /nfs/dbraw/zinc/33/44/83/787334483.db2.gz RHQBPSQBBCHJTP-NEPJUHHUSA-N 1 0 302.465 2.079 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C1CCN(C)CC1 ZINC000723820449 787345668 /nfs/dbraw/zinc/34/56/68/787345668.db2.gz FMVDOMCIYQCYQL-ZIAGYGMSSA-N 1 0 311.470 2.173 10 0 DEAERO Brc1cccc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000724637589 787352120 /nfs/dbraw/zinc/35/21/20/787352120.db2.gz YBRWPRCQQFKKND-BNOWGMLFSA-N 1 0 312.207 2.343 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC23CC(O)C3)C1 ZINC000725001952 787356173 /nfs/dbraw/zinc/35/61/73/787356173.db2.gz RBAFHNNNWGKTHZ-QBMKOXDISA-N 1 0 310.438 2.325 10 0 DEAERO COC[C@H](C)OC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000586474507 791871053 /nfs/dbraw/zinc/87/10/53/791871053.db2.gz AGNVHNKOJXLFJA-AWEZNQCLSA-N 1 0 306.406 2.412 10 0 DEAERO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2Br)O1 ZINC000712460408 792189336 /nfs/dbraw/zinc/18/93/36/792189336.db2.gz UAWMJKIUWMSDOY-KOLCDFICSA-N 1 0 302.216 2.230 10 0 DEAERO COC1(CC[NH2+]Cc2cn(C)nc2Br)CCC1 ZINC000712482127 792190404 /nfs/dbraw/zinc/19/04/04/792190404.db2.gz MOLJBNQZZSHIEZ-UHFFFAOYSA-N 1 0 302.216 2.231 10 0 DEAERO CCN1CC[C@H]1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000712593649 792191733 /nfs/dbraw/zinc/19/17/33/792191733.db2.gz CVUKUXUPCNZIGB-HNNXBMFYSA-N 1 0 311.470 2.317 10 0 DEAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc(Br)cc2)C1 ZINC000713178435 792214241 /nfs/dbraw/zinc/21/42/41/792214241.db2.gz RXCDHNNTHFINRC-ZKYQVNSYSA-N 1 0 309.207 2.193 10 0 DEAERO CCn1cnnc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000713299349 792219364 /nfs/dbraw/zinc/21/93/64/792219364.db2.gz BSMIHOWCVOMRFV-ZFWWWQNUSA-N 1 0 313.405 2.005 10 0 DEAERO COCC1CC([NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000713977904 792266362 /nfs/dbraw/zinc/26/63/62/792266362.db2.gz MVFZOQLPZDHYNP-CGZBRXJRSA-N 1 0 318.417 2.412 10 0 DEAERO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cn(C)nc2Br)[C@H]1C ZINC000714089121 792284957 /nfs/dbraw/zinc/28/49/57/792284957.db2.gz SFWPZSNXYUVNLR-JFGNBEQYSA-N 1 0 315.259 2.130 10 0 DEAERO CCCN(Cc1cn(C)nc1Br)C1CC[NH2+]CC1 ZINC000714085802 792285180 /nfs/dbraw/zinc/28/51/80/792285180.db2.gz RMTWDYMQWLAMQH-UHFFFAOYSA-N 1 0 315.259 2.147 10 0 DEAERO CC(C)(C)c1ncc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)s1 ZINC000714367896 792312057 /nfs/dbraw/zinc/31/20/57/792312057.db2.gz WZFJRXRHWKKJDJ-LBPRGKRZSA-N 1 0 316.492 2.498 10 0 DEAERO CCC1([NH3+])CCN(S(=O)(=O)c2ccc(F)cc2C)CC1 ZINC000714750628 792335289 /nfs/dbraw/zinc/33/52/89/792335289.db2.gz VJEIHRMIPGYCMA-UHFFFAOYSA-N 1 0 300.399 2.026 10 0 DEAERO C[C@]1(C(=O)NCc2ncc(Br)s2)CCCC[NH2+]1 ZINC000714934996 792358964 /nfs/dbraw/zinc/35/89/64/792358964.db2.gz JKRRFHZUBZAWLU-LLVKDONJSA-N 1 0 318.240 2.054 10 0 DEAERO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ncc(Br)s1 ZINC000714945411 792360968 /nfs/dbraw/zinc/36/09/68/792360968.db2.gz ISXZHSQZYQAGHB-YUMQZZPRSA-N 1 0 318.240 2.052 10 0 DEAERO CCn1cncc1C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000715067415 792380110 /nfs/dbraw/zinc/38/01/10/792380110.db2.gz QIDAJOHYBAIUFC-UHFFFAOYSA-N 1 0 308.426 2.296 10 0 DEAERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1nccn1C ZINC000715068025 792380455 /nfs/dbraw/zinc/38/04/55/792380455.db2.gz RIGIFSUZKAHKCS-PNESKVBLSA-N 1 0 308.426 2.374 10 0 DEAERO C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccnn1C ZINC000715133890 792407442 /nfs/dbraw/zinc/40/74/42/792407442.db2.gz KBYSMVICIWSLLB-RWMBFGLXSA-N 1 0 308.426 2.374 10 0 DEAERO Cc1n[nH]c(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1C ZINC000716472031 792959530 /nfs/dbraw/zinc/95/95/30/792959530.db2.gz FUMWXFSFRSQYEM-BETUJISGSA-N 1 0 308.426 2.419 10 0 DEAERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000716830999 793008988 /nfs/dbraw/zinc/00/89/88/793008988.db2.gz QBLWRRREUCVFOZ-QWRGUYRKSA-N 1 0 319.854 2.383 10 0 DEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000245846130 798020688 /nfs/dbraw/zinc/02/06/88/798020688.db2.gz ILOLVSNJIPDZQA-SOUVJXGZSA-N 1 0 300.406 2.212 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000717725325 799429149 /nfs/dbraw/zinc/42/91/49/799429149.db2.gz XVDHASRVPFJNHO-GRYCIOLGSA-N 1 0 322.396 2.238 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCN(C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400406985 801784631 /nfs/dbraw/zinc/78/46/31/801784631.db2.gz RXOBHZIJRBGUKL-RRFJBIMHSA-N 1 0 311.470 2.458 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401712428 801844551 /nfs/dbraw/zinc/84/45/51/801844551.db2.gz IYIVUYQSQZJODR-QLFBSQMISA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401737496 801845605 /nfs/dbraw/zinc/84/56/05/801845605.db2.gz ZRRYHYFYVIDFIU-CBBWQLFWSA-N 1 0 312.454 2.383 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401732949 801845998 /nfs/dbraw/zinc/84/59/98/801845998.db2.gz PMWCZXQTBNHCNX-XEZPLFJOSA-N 1 0 300.443 2.383 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401732947 801846493 /nfs/dbraw/zinc/84/64/93/801846493.db2.gz PMWCZXQTBNHCNX-WWGRRREGSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)CN(C(=O)OC(C)(C)C)C1 ZINC000401856946 801855834 /nfs/dbraw/zinc/85/58/34/801855834.db2.gz VZASEUYSYXZQGD-CBBWQLFWSA-N 1 0 312.454 2.383 10 0 DEAERO c1ccc(-n2nnnc2C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000403572445 801948118 /nfs/dbraw/zinc/94/81/18/801948118.db2.gz RWRCDRDWOZKWNA-QXMXGUDHSA-N 1 0 301.419 2.179 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ncc[nH]2)C12CCC2 ZINC000404593328 802025745 /nfs/dbraw/zinc/02/57/45/802025745.db2.gz YZNCHPNRSKIIIR-NWDGAFQWSA-N 1 0 306.410 2.335 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405229876 802044292 /nfs/dbraw/zinc/04/42/92/802044292.db2.gz FWIJGNXOHGLUES-RFGFWPKPSA-N 1 0 312.454 2.429 10 0 DEAERO O=C(Nc1ccc(Br)nc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407248714 802192105 /nfs/dbraw/zinc/19/21/05/802192105.db2.gz DFLFCHKCWAFKFA-WDEREUQCSA-N 1 0 310.195 2.313 10 0 DEAERO CCOC(CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000407421149 802216280 /nfs/dbraw/zinc/21/62/80/802216280.db2.gz LLPCYWZHDQLGNC-INIZCTEOSA-N 1 0 320.433 2.166 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)CCC(C)(C)C1CC1 ZINC000717938960 1081820370 /nfs/dbraw/zinc/82/03/70/1081820370.db2.gz SHTXSXXIHOKIHI-TZMCWYRMSA-N 1 0 302.484 2.344 10 0 DEAERO C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(C(F)(F)F)s1 ZINC000717981593 1081854568 /nfs/dbraw/zinc/85/45/68/1081854568.db2.gz GBGAPEYOSLTWSM-JOYOIKCWSA-N 1 0 308.369 2.484 10 0 DEAERO CC[C@@H]([NH2+]Cc1cc(Br)nn1C)[C@@H]1CCCOC1 ZINC000724015569 1082460176 /nfs/dbraw/zinc/46/01/76/1082460176.db2.gz VXBNEHUOFMZEPN-ZYHUDNBSSA-N 1 0 316.243 2.477 10 0 DEAERO CN(Cc1cccc(Br)c1)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000720975652 1085215464 /nfs/dbraw/zinc/21/54/64/1085215464.db2.gz QKYKRIVUYHNQFC-HZSPNIEDSA-N 1 0 323.234 2.263 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000721038203 1085595224 /nfs/dbraw/zinc/59/52/24/1085595224.db2.gz UKILNSKNZBLIIL-NXEZZACHSA-N 1 0 320.817 2.003 10 0 DEAERO COC(C)(C)C[C@@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000720644462 1085807949 /nfs/dbraw/zinc/80/79/49/1085807949.db2.gz CGMXMGSURZWBQB-SECBINFHSA-N 1 0 304.232 2.476 10 0 DEAERO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cn(C)nc1Br ZINC000720668138 1085836341 /nfs/dbraw/zinc/83/63/41/1085836341.db2.gz AGRNURYHRWGNPL-VHSXEESVSA-N 1 0 302.216 2.087 10 0 DEAERO COC(=O)[C@@H](C)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720864749 1086308503 /nfs/dbraw/zinc/30/85/03/1086308503.db2.gz LQZHFPVODRWKJQ-UWWQBHOKSA-N 1 0 302.418 2.002 10 0 DEAERO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000700109392 1086309561 /nfs/dbraw/zinc/30/95/61/1086309561.db2.gz YCADOSRVXXWKOA-XGUBFFRZSA-N 1 0 310.438 2.258 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc(-c2cncs2)no1 ZINC000702201562 1086413435 /nfs/dbraw/zinc/41/34/35/1086413435.db2.gz SQWMCJGITLRLFP-LBPRGKRZSA-N 1 0 315.402 2.325 10 0 DEAERO O=C(c1ccsc1Br)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000702290385 1086421920 /nfs/dbraw/zinc/42/19/20/1086421920.db2.gz IKCZUARTRCZJDI-SECBINFHSA-N 1 0 315.236 2.431 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(Br)o3)C[C@]2(C)C1 ZINC000702478271 1086436897 /nfs/dbraw/zinc/43/68/97/1086436897.db2.gz JZDRDKCTRIIZJV-RNCFNFMXSA-N 1 0 313.195 2.066 10 0 DEAERO CO[C@@](C)(C[NH2+]Cc1cncnc1)COCc1ccccc1 ZINC000702798026 1086460537 /nfs/dbraw/zinc/46/05/37/1086460537.db2.gz RISAKDPGWGFDEV-KRWDZBQOSA-N 1 0 301.390 2.188 10 0 DEAERO c1ccc2c(c1)CO[C@H](C[NH2+]C1CCC3(CC1)OCCO3)C2 ZINC000703954643 1086566749 /nfs/dbraw/zinc/56/67/49/1086566749.db2.gz JTKYOEBOFHJDTJ-KRWDZBQOSA-N 1 0 303.402 2.403 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(N)nn1 ZINC000703910725 1086567752 /nfs/dbraw/zinc/56/77/52/1086567752.db2.gz RYUQHKPPLFBXIL-HNNXBMFYSA-N 1 0 311.433 2.155 10 0 DEAERO C[C@H]([NH2+]CC[C@H]1CCSC1)c1cccc(S(N)(=O)=O)c1 ZINC000704789094 1086590680 /nfs/dbraw/zinc/59/06/80/1086590680.db2.gz BEEBLIGRXJMZLW-RYUDHWBXSA-N 1 0 314.476 2.128 10 0 DEAERO CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccco2)CCOCC1 ZINC000705614503 1086619257 /nfs/dbraw/zinc/61/92/57/1086619257.db2.gz JVPXNOLZHXAREN-UHFFFAOYSA-N 1 0 310.394 2.443 10 0 DEAERO CCOCC(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705935741 1086628211 /nfs/dbraw/zinc/62/82/11/1086628211.db2.gz VFCADRBRUCOUEG-RTBURBONSA-N 1 0 316.445 2.394 10 0 DEAERO C[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709437835 1086683011 /nfs/dbraw/zinc/68/30/11/1086683011.db2.gz AZOJHKKULINDKA-CAEXGNQWSA-N 1 0 310.438 2.399 10 0 DEAERO C[C@@H]([NH2+]CCc1ccns1)c1ccc(S(C)(=O)=O)cc1 ZINC000709881643 1086685595 /nfs/dbraw/zinc/68/55/95/1086685595.db2.gz PPORTGUSXFJTCW-LLVKDONJSA-N 1 0 310.444 2.440 10 0 DEAERO CO[C@@H](C)C[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000710110008 1086687618 /nfs/dbraw/zinc/68/76/18/1086687618.db2.gz RSMQSFUDVLMVJH-CMPLNLGQSA-N 1 0 316.323 2.131 10 0 DEAERO CN(CCCCCC[NH3+])S(=O)(=O)Cc1ccc(F)cc1 ZINC000710692265 1086688544 /nfs/dbraw/zinc/68/85/44/1086688544.db2.gz DKJYAORGSCZURW-UHFFFAOYSA-N 1 0 302.415 2.106 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000710948529 1086691769 /nfs/dbraw/zinc/69/17/69/1086691769.db2.gz SNDRAXBIFHZBNR-CYBMUJFWSA-N 1 0 314.426 2.127 10 0 DEAERO COC1(OC)CC[C@@H]1NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000710995321 1086692159 /nfs/dbraw/zinc/69/21/59/1086692159.db2.gz MHXNXDGKDGPPJZ-SZMVWBNQSA-N 1 0 318.461 2.496 10 0 DEAERO CC(C)(C)C[C@@H](O)C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710966636 1086692214 /nfs/dbraw/zinc/69/22/14/1086692214.db2.gz YHFXMFTUSNKFNE-CYBMUJFWSA-N 1 0 300.443 2.240 10 0 DEAERO CCC[C@H](CCO)C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710966707 1086692556 /nfs/dbraw/zinc/69/25/56/1086692556.db2.gz YNNJAVOHOFCUAX-CYBMUJFWSA-N 1 0 300.443 2.242 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1cc(Br)ccc1O ZINC000711328109 1087065893 /nfs/dbraw/zinc/06/58/93/1087065893.db2.gz ATBNYOUEAFFUTJ-SECBINFHSA-N 1 0 313.195 2.339 10 0 DEAERO C[C@@H](CCCCO)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711448779 1087117015 /nfs/dbraw/zinc/11/70/15/1087117015.db2.gz GCVSXTXGSAEPBQ-MELADBBJSA-N 1 0 300.443 2.430 10 0 DEAERO Cn1cncc1C[NH2+][C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711640755 1087184687 /nfs/dbraw/zinc/18/46/87/1087184687.db2.gz QHTOWTHFHGBVQK-WMLDXEAASA-N 1 0 320.437 2.442 10 0 DEAERO Cc1nc(C[NH2+]CC2(CO)CCC2)sc1Br ZINC000719281646 1088926624 /nfs/dbraw/zinc/92/66/24/1088926624.db2.gz ZQIFFLZFOHFBCZ-UHFFFAOYSA-N 1 0 305.241 2.466 10 0 DEAERO Cc1nc(C[NH2+][C@@H](CO)C2CCC2)sc1Br ZINC000719287663 1088928872 /nfs/dbraw/zinc/92/88/72/1088928872.db2.gz LJGROZDCFYAWHA-VIFPVBQESA-N 1 0 305.241 2.465 10 0 DEAERO Cc1nc(C[NH2+]C[C@]2(O)CCSC2)sc1Br ZINC000719294234 1088931463 /nfs/dbraw/zinc/93/14/63/1088931463.db2.gz WBICYMJNBOHAQE-SNVBAGLBSA-N 1 0 323.281 2.172 10 0 DEAERO C[C@@H]1[C@@H](NC(=O)c2ccsc2Br)CC[N@@H+]1C ZINC000719399077 1089086283 /nfs/dbraw/zinc/08/62/83/1089086283.db2.gz YXJBYFNBIUOVFU-APPZFPTMSA-N 1 0 303.225 2.333 10 0 DEAERO O[C@H]1CCCC[C@@H]1[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000179286514 1090496367 /nfs/dbraw/zinc/49/63/67/1090496367.db2.gz RPTONQJAMOOVIQ-GJZGRUSLSA-N 1 0 301.390 2.253 10 0 DEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000387016613 1144509698 /nfs/dbraw/zinc/50/96/98/1144509698.db2.gz ODIWEWFNMIPZGJ-JGVFFNPUSA-N 1 0 303.156 2.216 10 0 DEAERO CC[NH2+][C@@H](CSc1nnnn1C)c1ccccc1OCC ZINC000081843745 192330467 /nfs/dbraw/zinc/33/04/67/192330467.db2.gz WKBPVPNLPUOWTA-LBPRGKRZSA-N 1 0 307.423 2.052 10 0 DEAERO CCCn1c(=O)[nH]nc1SC[C@@H]([NH2+]C)c1ccc(C)cc1 ZINC000081879231 192332498 /nfs/dbraw/zinc/33/24/98/192332498.db2.gz RUGNZRCLRVRLCE-CYBMUJFWSA-N 1 0 306.435 2.343 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@H]1SC1CCOCC1)OCCO2 ZINC000081891624 192334177 /nfs/dbraw/zinc/33/41/77/192334177.db2.gz DRGJSNRLDWBMKS-UONOGXRCSA-N 1 0 301.452 2.172 10 0 DEAERO COc1ccc2c(c1)CC[C@H](Sc1nnc(C)n1C)[C@@H]2[NH3+] ZINC000081886138 192334337 /nfs/dbraw/zinc/33/43/37/192334337.db2.gz PCWTZLGWYXRNGI-UONOGXRCSA-N 1 0 304.419 2.239 10 0 DEAERO CCn1c(S[C@H](C(C)C)[C@H]([NH3+])c2ccccc2)n[nH]c1=O ZINC000081882116 192334611 /nfs/dbraw/zinc/33/46/11/192334611.db2.gz BZPZUWDLWJQUCE-CHWSQXEVSA-N 1 0 306.435 2.408 10 0 DEAERO CCCc1ccc([C@H](CSc2n[nH]c(=O)n2C)[NH2+]C)cc1 ZINC000081880469 192334630 /nfs/dbraw/zinc/33/46/30/192334630.db2.gz FUPRFYVUENWIPF-ZDUSSCGKSA-N 1 0 306.435 2.114 10 0 DEAERO C[NH2+][C@H]1CCOC[C@H]1Sc1ccc(Br)cn1 ZINC000081894868 192334674 /nfs/dbraw/zinc/33/46/74/192334674.db2.gz RGVGKMSPKWZNIN-VHSXEESVSA-N 1 0 303.225 2.313 10 0 DEAERO COCCn1ncc(Br)c1[C@@H]1CCCC[C@H]1[NH3+] ZINC000162880853 197598110 /nfs/dbraw/zinc/59/81/10/197598110.db2.gz NRUKRPGQVSMLOY-MWLCHTKSSA-N 1 0 302.216 2.277 10 0 DEAERO CC(C)C[NH2+]Cc1ccc(Cl)cc1N1CCOC[C@@H]1CO ZINC000163185541 197615845 /nfs/dbraw/zinc/61/58/45/197615845.db2.gz NBXPSXJJTUXKSS-HNNXBMFYSA-N 1 0 312.841 2.283 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)Cc1ccccc1 ZINC000081923647 192340301 /nfs/dbraw/zinc/34/03/01/192340301.db2.gz CHELEBMJFPLZPG-DLBZAZTESA-N 1 0 301.411 2.487 10 0 DEAERO c1coc(C[N@H+](CCOC2CCOCC2)C[C@H]2CCCO2)c1 ZINC000625101347 365644406 /nfs/dbraw/zinc/64/44/06/365644406.db2.gz PHDRJNAEHLVUHI-QGZVFWFLSA-N 1 0 309.406 2.456 10 0 DEAERO COc1ccc(-c2csc(NC(=O)CSCC[NH3+])n2)cc1 ZINC000096757393 185386480 /nfs/dbraw/zinc/38/64/80/185386480.db2.gz KMWYPMPKTDLWQA-UHFFFAOYSA-N 1 0 323.443 2.449 10 0 DEAERO CC[NH2+]CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000081933980 192341023 /nfs/dbraw/zinc/34/10/23/192341023.db2.gz LQYVDAGNFGSEQP-UHFFFAOYSA-N 1 0 306.225 2.222 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000278569056 214244426 /nfs/dbraw/zinc/24/44/26/214244426.db2.gz GEXOMGBAKAFCSY-UHFFFAOYSA-N 1 0 317.433 2.131 10 0 DEAERO C[NH2+]C[C@H]1CCC[C@H]1c1c(Br)cnn1CCOC ZINC000163774674 197648999 /nfs/dbraw/zinc/64/89/99/197648999.db2.gz RJMJTQJWTRIVPF-GHMZBOCLSA-N 1 0 316.243 2.395 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)[C@@H](C)CC)c1ccc2c(c1)OCO2 ZINC000081937921 192342134 /nfs/dbraw/zinc/34/21/34/192342134.db2.gz FALDYFCIXMEOIG-AAEUAGOBSA-N 1 0 313.419 2.279 10 0 DEAERO COC(=O)[C@](C)(NCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000078901529 185126392 /nfs/dbraw/zinc/12/63/92/185126392.db2.gz KVVUOKAFRBWZPT-CQSZACIVSA-N 1 0 302.777 2.019 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2CCC[C@H]1S(=O)(=O)CCOC ZINC000081944016 192343940 /nfs/dbraw/zinc/34/39/40/192343940.db2.gz FGZSHDCRALHLBK-HZPDHXFCSA-N 1 0 311.447 2.103 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)CCOC)c1cccc2ccccc21 ZINC000081943610 192344738 /nfs/dbraw/zinc/34/47/38/192344738.db2.gz BMTPBRNJQAWPRV-INIZCTEOSA-N 1 0 307.415 2.162 10 0 DEAERO CCS(=O)(=O)c1ccc(NC(=O)CC[C@@H](C)CC[NH3+])cc1 ZINC000079117564 185159399 /nfs/dbraw/zinc/15/93/99/185159399.db2.gz SGFDBQHYDMDUHW-GFCCVEGCSA-N 1 0 312.435 2.184 10 0 DEAERO C[C@@H]([NH2+]Cc1csc2ccccc12)C(=O)N1CCOCC1 ZINC000079304483 185164088 /nfs/dbraw/zinc/16/40/88/185164088.db2.gz GZODROYOISQTNH-GFCCVEGCSA-N 1 0 304.415 2.238 10 0 DEAERO Cn1cc([C@@H](C[NH3+])Sc2ncccc2Br)cn1 ZINC000079423268 185170766 /nfs/dbraw/zinc/17/07/66/185170766.db2.gz ZGIQQKAUGXBQHL-SNVBAGLBSA-N 1 0 313.224 2.370 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3)CC2)CCO1 ZINC000079427435 185171115 /nfs/dbraw/zinc/17/11/15/185171115.db2.gz RDOAGFOTABSCQF-AWEZNQCLSA-N 1 0 303.406 2.404 10 0 DEAERO CC(C)[NH2+][C@](C)(CCSc1ccc(Cl)cn1)C(N)=O ZINC000079448141 185172340 /nfs/dbraw/zinc/17/23/40/185172340.db2.gz YOVUGRPAWPLNAV-CYBMUJFWSA-N 1 0 301.843 2.459 10 0 DEAERO CC(C)(C)[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000079358426 185166865 /nfs/dbraw/zinc/16/68/65/185166865.db2.gz KOZYFDHIAPIBQW-HUUCEWRRSA-N 1 0 316.511 2.464 10 0 DEAERO [NH3+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)c1cc(F)ccc1F ZINC000081945730 192345916 /nfs/dbraw/zinc/34/59/16/192345916.db2.gz GPTFMORDCJHJOO-CABCVRRESA-N 1 0 309.337 2.363 10 0 DEAERO CCCc1ccc([C@@H](CS(=O)(=O)CCOC)[NH2+]CC)cc1 ZINC000081944752 192346051 /nfs/dbraw/zinc/34/60/51/192346051.db2.gz ODJPUPCZHDFNMG-MRXNPFEDSA-N 1 0 313.463 2.351 10 0 DEAERO CN(C(=O)c1ccc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000082499410 185187220 /nfs/dbraw/zinc/18/72/20/185187220.db2.gz TUYLZDMZPLGFKH-MRVPVSSYSA-N 1 0 303.225 2.335 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1cc(Br)cs1 ZINC000082720534 185196362 /nfs/dbraw/zinc/19/63/62/185196362.db2.gz PXACEMULHNWJMX-MRVPVSSYSA-N 1 0 312.254 2.335 10 0 DEAERO C[C@@H](c1nc(C2CC2)no1)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000328609702 231244562 /nfs/dbraw/zinc/24/45/62/231244562.db2.gz MZZVLZVERDCYEJ-OLZOCXBDSA-N 1 0 320.437 2.193 10 0 DEAERO CC(C)[C@@H](C[NH3+])NC(=O)c1ccc(Br)c(F)c1 ZINC000087388048 185223284 /nfs/dbraw/zinc/22/32/84/185223284.db2.gz MPEABXFSXQLAHG-LLVKDONJSA-N 1 0 303.175 2.301 10 0 DEAERO CC(C)[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000087404612 185223863 /nfs/dbraw/zinc/22/38/63/185223863.db2.gz OXWXUWPMQZXXGQ-LURJTMIESA-N 1 0 317.263 2.317 10 0 DEAERO CC(C)[C@@H](C[NH3+])Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000087405620 185224103 /nfs/dbraw/zinc/22/41/03/185224103.db2.gz CNGYWHQAKRIZKF-LLVKDONJSA-N 1 0 310.341 2.375 10 0 DEAERO CC[C@H](c1nc(-c2cn(C)nc2C)cs1)N1CC[NH2+]CC1 ZINC000087410463 185224435 /nfs/dbraw/zinc/22/44/35/185224435.db2.gz LWRXLKDGJOEAPH-CQSZACIVSA-N 1 0 305.451 2.208 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000087516832 185227395 /nfs/dbraw/zinc/22/73/95/185227395.db2.gz OBCQIFQESAVSNR-UTUOFQBUSA-N 1 0 310.360 2.368 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000087517405 185227400 /nfs/dbraw/zinc/22/74/00/185227400.db2.gz VJFDLCPOUBVLCN-VIFPVBQESA-N 1 0 305.300 2.336 10 0 DEAERO CC(C)[C@@H](C[NH3+])C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000087524652 185227773 /nfs/dbraw/zinc/22/77/73/185227773.db2.gz AITRBDKQOYUZSX-DZGCQCFKSA-N 1 0 310.463 2.487 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1sccc1Br ZINC000087575750 185228630 /nfs/dbraw/zinc/22/86/30/185228630.db2.gz KQMJKZLFGUSORV-MRVPVSSYSA-N 1 0 305.241 2.372 10 0 DEAERO COc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173189407 282188913 /nfs/dbraw/zinc/18/89/13/282188913.db2.gz KCKNTWQRPAWTBM-DZGCQCFKSA-N 1 0 305.422 2.319 10 0 DEAERO [NH3+]C1CC(Nc2ccc(F)cc2I)C1 ZINC000087652154 185229782 /nfs/dbraw/zinc/22/97/82/185229782.db2.gz NGVWFCXNZITUNE-UHFFFAOYSA-N 1 0 306.122 2.332 10 0 DEAERO CCc1nc(Oc2cncc(Br)c2)cc(NN)[nH+]1 ZINC000087907411 185237269 /nfs/dbraw/zinc/23/72/69/185237269.db2.gz FODUHJVIYGJZOO-UHFFFAOYSA-N 1 0 310.155 2.274 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000328861359 231369314 /nfs/dbraw/zinc/36/93/14/231369314.db2.gz ARWLBJJDZYVCNF-CBAJHEILSA-N 1 0 321.465 2.367 10 0 DEAERO CCOCCN(C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000087975926 185237526 /nfs/dbraw/zinc/23/75/26/185237526.db2.gz YNFTXXGQFCWZHY-VIFPVBQESA-N 1 0 307.257 2.479 10 0 DEAERO O=S(=O)(Nc1ccc(-c2ccccc2)cc1)[C@H]1CC[NH2+]C1 ZINC000088056700 185238426 /nfs/dbraw/zinc/23/84/26/185238426.db2.gz UDQKNFAXZNTCFJ-INIZCTEOSA-N 1 0 302.399 2.457 10 0 DEAERO CC[C@@H]([NH3+])CS(=O)(=O)Cc1cc(Br)cs1 ZINC000088074847 185238804 /nfs/dbraw/zinc/23/88/04/185238804.db2.gz PZUFLBBNXHFULP-MRVPVSSYSA-N 1 0 312.254 2.163 10 0 DEAERO C[C@H]([NH3+])CCS(=O)(=O)Cc1ccc(Br)s1 ZINC000088077618 185238811 /nfs/dbraw/zinc/23/88/11/185238811.db2.gz NLMAKTBTJBMKCZ-ZETCQYMHSA-N 1 0 312.254 2.163 10 0 DEAERO CCO[C@@H]1CCC[N@H+](Cc2ccc(OC)c(C(N)=S)c2)C1 ZINC000087832556 185232527 /nfs/dbraw/zinc/23/25/27/185232527.db2.gz UXCVQSLYXOVMMX-CYBMUJFWSA-N 1 0 308.447 2.330 10 0 DEAERO Nc1[nH+]c2ccc(Br)cc2n1CCn1ccnc1 ZINC000087837032 185232997 /nfs/dbraw/zinc/23/29/97/185232997.db2.gz NGBDMPRHTHYSIJ-UHFFFAOYSA-N 1 0 306.167 2.278 10 0 DEAERO C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000173509822 282191069 /nfs/dbraw/zinc/19/10/69/282191069.db2.gz CBNAZHHAXRIXBD-AAEUAGOBSA-N 1 0 311.376 2.414 10 0 DEAERO CN(Cc1ccsc1)c1nc(NN)[nH+]cc1Br ZINC000087853624 185233731 /nfs/dbraw/zinc/23/37/31/185233731.db2.gz HYYOIHKWWNNFOW-UHFFFAOYSA-N 1 0 314.212 2.223 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(Br)cc1)[C@H]1COCCO1 ZINC000087858105 185233763 /nfs/dbraw/zinc/23/37/63/185233763.db2.gz TYYHBUBNQIJAOP-ZIAGYGMSSA-N 1 0 314.223 2.385 10 0 DEAERO CN(Cc1ccccc1Br)c1cc[nH+]c(NN)n1 ZINC000087864160 185233884 /nfs/dbraw/zinc/23/38/84/185233884.db2.gz MJVQUDNLGMTTHX-UHFFFAOYSA-N 1 0 308.183 2.161 10 0 DEAERO NNc1nc(NCc2cccc(Br)c2)c(F)c[nH+]1 ZINC000087864107 185233989 /nfs/dbraw/zinc/23/39/89/185233989.db2.gz VBKNTJVJXJYHNC-UHFFFAOYSA-N 1 0 312.146 2.276 10 0 DEAERO CCN(C(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173525339 282191328 /nfs/dbraw/zinc/19/13/28/282191328.db2.gz MLQDKDWIIRHWCG-WBVHZDCISA-N 1 0 303.450 2.454 10 0 DEAERO Cc1c(NCc2ccc(Br)cc2)nc[nH+]c1NN ZINC000087884703 185234324 /nfs/dbraw/zinc/23/43/24/185234324.db2.gz RSGPCEOTWIEBSQ-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO O=C1CC[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@H](C2CC2)N1 ZINC000328907565 231382327 /nfs/dbraw/zinc/38/23/27/231382327.db2.gz LQFOERLSZQXNPT-KSSFIOAISA-N 1 0 316.401 2.487 10 0 DEAERO O=[S@](Cc1ccc(F)cc1Br)CC1C[NH2+]C1 ZINC000088090640 185239720 /nfs/dbraw/zinc/23/97/20/185239720.db2.gz YUUIZZJWSXGSRC-MRXNPFEDSA-N 1 0 306.200 2.056 10 0 DEAERO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000328934979 231392608 /nfs/dbraw/zinc/39/26/08/231392608.db2.gz FKVMHDLWVFCGGT-IDCNUPLLSA-N 1 0 319.449 2.125 10 0 DEAERO NNc1cc(C(=O)Nc2c3nsnc3ccc2Cl)cc[nH+]1 ZINC000088129548 185240334 /nfs/dbraw/zinc/24/03/34/185240334.db2.gz GTJMJCOIGXDQMN-UHFFFAOYSA-N 1 0 320.765 2.278 10 0 DEAERO CC[NH2+][C@H]1CCN(c2cc(OC)ccc2Br)C1=O ZINC000088320401 185245374 /nfs/dbraw/zinc/24/53/74/185245374.db2.gz UYNWVSYRCVQLJF-NSHDSACASA-N 1 0 313.195 2.173 10 0 DEAERO CCn1ccnc1CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190471051 529569608 /nfs/dbraw/zinc/56/96/08/529569608.db2.gz OCENMCMEKXKHBP-QGZVFWFLSA-N 1 0 313.449 2.252 10 0 DEAERO C[C@H](C[NH3+])S(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000088472085 185252334 /nfs/dbraw/zinc/25/23/34/185252334.db2.gz UOEYRELWLFSHNH-LLVKDONJSA-N 1 0 302.399 2.347 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1C[NH3+])N(C)CCC(F)(F)F ZINC000088417637 185249320 /nfs/dbraw/zinc/24/93/20/185249320.db2.gz GXLMTEVNDLYPMJ-SNVBAGLBSA-N 1 0 303.328 2.357 10 0 DEAERO C[NH2+][C@](C)(CCCC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC000088435388 185250428 /nfs/dbraw/zinc/25/04/28/185250428.db2.gz NGCZHSXXQGPRKT-WCQYABFASA-N 1 0 310.360 2.494 10 0 DEAERO [NH3+][C@@](CO)(CN1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000088439626 185250680 /nfs/dbraw/zinc/25/06/80/185250680.db2.gz WXICJBTWNPPIBE-UONOGXRCSA-N 1 0 302.340 2.107 10 0 DEAERO CC(C)[NH2+][C@](CO)(CN1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088439610 185250857 /nfs/dbraw/zinc/25/08/57/185250857.db2.gz HCIOKSDPKYGUMT-KBPBESRZSA-N 1 0 308.388 2.400 10 0 DEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)Nc1cnc(Br)cn1 ZINC000088446428 185251158 /nfs/dbraw/zinc/25/11/58/185251158.db2.gz FFPWGGJFCDVOHH-BDAKNGLRSA-N 1 0 315.215 2.331 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C(C)(C)C)o1 ZINC000088544076 185256797 /nfs/dbraw/zinc/25/67/97/185256797.db2.gz DDMVSVQRNMXPLM-NSHDSACASA-N 1 0 302.440 2.444 10 0 DEAERO CCN(C1CC1)S(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088543619 185256855 /nfs/dbraw/zinc/25/68/55/185256855.db2.gz GYJALAKMZINXBI-UHFFFAOYSA-N 1 0 300.424 2.198 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000341588688 282204105 /nfs/dbraw/zinc/20/41/05/282204105.db2.gz RPCHDZTXETUKCC-KFWWJZLASA-N 1 0 305.426 2.129 10 0 DEAERO C[NH2+][C@H](Cc1ccc2ccccc2n1)C(C)(C)S(C)(=O)=O ZINC000088519224 185254605 /nfs/dbraw/zinc/25/46/05/185254605.db2.gz MHJUPTWJNKSWKR-OAHLLOKOSA-N 1 0 306.431 2.189 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC(C)(C)CC2)o1 ZINC000088551560 185257447 /nfs/dbraw/zinc/25/74/47/185257447.db2.gz NBZWLMRGKLSSOL-UHFFFAOYSA-N 1 0 300.424 2.200 10 0 DEAERO CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088543222 185256309 /nfs/dbraw/zinc/25/63/09/185256309.db2.gz ZDMOVBJGTAUISI-WCQYABFASA-N 1 0 300.424 2.246 10 0 DEAERO CSCCCNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088551130 185257558 /nfs/dbraw/zinc/25/75/58/185257558.db2.gz XCLAIAVLUDPXFJ-UHFFFAOYSA-N 1 0 320.480 2.199 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2sc3ncccc3c2N)C1 ZINC000088641885 185261071 /nfs/dbraw/zinc/26/10/71/185261071.db2.gz MEKJCWGCKYATPS-SNVBAGLBSA-N 1 0 304.419 2.093 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1sc2ncccc2c1N ZINC000088643239 185261364 /nfs/dbraw/zinc/26/13/64/185261364.db2.gz IVFHVQDUMURRME-SNVBAGLBSA-N 1 0 304.419 2.045 10 0 DEAERO Cc1ccccc1S(=O)(=O)N[C@@H](C(N)=[NH2+])C1CCCCC1 ZINC000088716968 185263068 /nfs/dbraw/zinc/26/30/68/185263068.db2.gz IJZWWDOZAMPRTC-CQSZACIVSA-N 1 0 309.435 2.158 10 0 DEAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccccc2C)C1 ZINC000088716884 185263093 /nfs/dbraw/zinc/26/30/93/185263093.db2.gz FFMRPZUQAUNGQO-HNNXBMFYSA-N 1 0 310.463 2.395 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000088716272 185263202 /nfs/dbraw/zinc/26/32/02/185263202.db2.gz QMUCJAPSSBBBPY-CABCVRRESA-N 1 0 308.447 2.148 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(Cl)c1 ZINC000081982179 192349665 /nfs/dbraw/zinc/34/96/65/192349665.db2.gz XPTQWDBTHQVZHO-KGLIPLIRSA-N 1 0 317.838 2.271 10 0 DEAERO CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)CCCOC ZINC000081985394 192349785 /nfs/dbraw/zinc/34/97/85/192349785.db2.gz HTOVQRYAHNLWFC-JKSUJKDBSA-N 1 0 311.447 2.103 10 0 DEAERO CCC[C@H]([NH3+])CS(=O)(=O)c1cccc(Br)c1 ZINC000081982564 192349934 /nfs/dbraw/zinc/34/99/34/192349934.db2.gz DLJFDWCWKHSAQF-JTQLQIEISA-N 1 0 306.225 2.350 10 0 DEAERO c1ccc(C2([NH2+]CCOC3CCOCC3)CCOCC2)cc1 ZINC000625252714 365698563 /nfs/dbraw/zinc/69/85/63/365698563.db2.gz WTVAOHGDHVIXDD-UHFFFAOYSA-N 1 0 305.418 2.478 10 0 DEAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081990485 192351314 /nfs/dbraw/zinc/35/13/14/192351314.db2.gz NTUIZPBNIKXCAM-IMJJTQAJSA-N 1 0 317.495 2.383 10 0 DEAERO C[C@]1(C(=O)Nc2ccc3c(c2)NC(=O)CS3)CCC[C@H]1[NH3+] ZINC000165965363 197685261 /nfs/dbraw/zinc/68/52/61/197685261.db2.gz LARCWPVHJGREHG-DOMZBBRYSA-N 1 0 305.403 2.187 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccccc1-n1cccn1 ZINC000090016374 185278132 /nfs/dbraw/zinc/27/81/32/185278132.db2.gz MHVQAAQSVPAWPQ-UONOGXRCSA-N 1 0 319.430 2.100 10 0 DEAERO O=C(NCCCc1ccccn1)NCCC[NH+]1CCCCC1 ZINC000179161392 282217246 /nfs/dbraw/zinc/21/72/46/282217246.db2.gz XSUFNHYHRDLJLO-UHFFFAOYSA-N 1 0 304.438 2.189 10 0 DEAERO CCCN(C(=O)c1ccc(F)cc1Br)C1C[NH2+]C1 ZINC000090293025 185289504 /nfs/dbraw/zinc/28/95/04/185289504.db2.gz JDIYTOOXIWEQTK-UHFFFAOYSA-N 1 0 315.186 2.412 10 0 DEAERO CC[NH2+]Cc1cn(Cc2c(F)c(F)c(F)c(F)c2F)nn1 ZINC000090296035 185289849 /nfs/dbraw/zinc/28/98/49/185289849.db2.gz IUGJMXLLFSXAAU-UHFFFAOYSA-N 1 0 306.238 2.131 10 0 DEAERO Clc1cc(Cl)cc(CN2CCN(C3C[NH2+]C3)CC2)c1 ZINC000090306461 185290254 /nfs/dbraw/zinc/29/02/54/185290254.db2.gz ILXBHLBNGBCWPH-UHFFFAOYSA-N 1 0 300.233 2.083 10 0 DEAERO Cc1ccc(Br)cc1C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320962 185290843 /nfs/dbraw/zinc/29/08/43/185290843.db2.gz VKJQJKJIPSQDAA-GHMZBOCLSA-N 1 0 309.207 2.049 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)Cc1c(F)cccc1Cl ZINC000090336564 185291658 /nfs/dbraw/zinc/29/16/58/185291658.db2.gz WHDMDFIQOXHHHP-CMPLNLGQSA-N 1 0 310.800 2.478 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1ccccc1Cl ZINC000090333205 185291722 /nfs/dbraw/zinc/29/17/22/185291722.db2.gz WBORFSHLDQDDQR-TYNCELHUSA-N 1 0 307.825 2.208 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1c1nc(-c2cc(Br)cs2)no1 ZINC000090364816 185292779 /nfs/dbraw/zinc/29/27/79/185292779.db2.gz ZUDZIDCKPUASMF-BQBZGAKWSA-N 1 0 316.180 2.002 10 0 DEAERO CC[NH2+][C@H]1COC[C@H]1c1nc(Cc2ccc(Cl)cc2)no1 ZINC000090473348 185298475 /nfs/dbraw/zinc/29/84/75/185298475.db2.gz QTBBVIFIGOYBNC-OLZOCXBDSA-N 1 0 307.781 2.406 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000090487239 185298851 /nfs/dbraw/zinc/29/88/51/185298851.db2.gz JGJQOFHDXATMSI-GWCFXTLKSA-N 1 0 312.797 2.220 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000090489891 185299092 /nfs/dbraw/zinc/29/90/92/185299092.db2.gz IJUATEWNCQAGNM-FZMZJTMJSA-N 1 0 314.788 2.062 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000090378667 185293502 /nfs/dbraw/zinc/29/35/02/185293502.db2.gz CINDIXODOLJRCD-IONNQARKSA-N 1 0 308.687 2.271 10 0 DEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCCO1 ZINC000181335879 199282227 /nfs/dbraw/zinc/28/22/27/199282227.db2.gz PQXRUPKQPZULHC-WBVHZDCISA-N 1 0 319.449 2.327 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CSCC(F)(F)F ZINC000090420374 185295288 /nfs/dbraw/zinc/29/52/88/185295288.db2.gz BQHGZIZTWSBPQQ-SNVBAGLBSA-N 1 0 300.390 2.374 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000090433008 185296133 /nfs/dbraw/zinc/29/61/33/185296133.db2.gz YXPFUKYYRIFPKT-MWLCHTKSSA-N 1 0 323.443 2.191 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000090434497 185296230 /nfs/dbraw/zinc/29/62/30/185296230.db2.gz BDNIFCNOJVDLAZ-CMPLNLGQSA-N 1 0 317.216 2.186 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000090436284 185296281 /nfs/dbraw/zinc/29/62/81/185296281.db2.gz OKJBJMYJHIBZES-KCJUWKMLSA-N 1 0 306.259 2.017 10 0 DEAERO O=C(Cc1cc(Br)cc2c1OCC2)[C@H]1CCC[NH2+]1 ZINC000166494616 197693764 /nfs/dbraw/zinc/69/37/64/197693764.db2.gz KWAMTSHNFFMRGV-GFCCVEGCSA-N 1 0 310.191 2.248 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000090435296 185296420 /nfs/dbraw/zinc/29/64/20/185296420.db2.gz GGFPMKRSCFOZFI-OLZOCXBDSA-N 1 0 317.216 2.186 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1CN(C)Cc1csc(Br)c1 ZINC000090438872 185296496 /nfs/dbraw/zinc/29/64/96/185296496.db2.gz SKUHFFIWKCZFGR-MNOVXSKESA-N 1 0 319.268 2.177 10 0 DEAERO Cc1ccc(Br)cc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090588838 185305658 /nfs/dbraw/zinc/30/56/58/185305658.db2.gz WTVOATUVHSNKHZ-WCQYABFASA-N 1 0 313.195 2.060 10 0 DEAERO Cc1ccc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])cc1C(F)(F)F ZINC000090601202 185306215 /nfs/dbraw/zinc/30/62/15/185306215.db2.gz IKOCEQNUWKHGEL-DGCLKSJQSA-N 1 0 302.296 2.316 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(F)c(F)c1F ZINC000090538603 185301665 /nfs/dbraw/zinc/30/16/65/185301665.db2.gz JHXSYTJGBXASJF-LDYMZIIASA-N 1 0 302.296 2.057 10 0 DEAERO C[C@@]1(c2nc(-c3cccc(Br)c3)no2)COC[C@@H]1[NH3+] ZINC000090573273 185304291 /nfs/dbraw/zinc/30/42/91/185304291.db2.gz ASBOYPHYQXASTQ-GXFFZTMASA-N 1 0 324.178 2.114 10 0 DEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccc(F)c(F)c1 ZINC000090699866 185310334 /nfs/dbraw/zinc/31/03/34/185310334.db2.gz DURZPAFHGSDVEC-GFCCVEGCSA-N 1 0 314.401 2.474 10 0 DEAERO CC[NH2+][C@H](Cc1c(C)nn(C)c1Cl)C(OCC)OCC ZINC000167290451 197705964 /nfs/dbraw/zinc/70/59/64/197705964.db2.gz AHMZYKUJMBRBKH-GFCCVEGCSA-N 1 0 303.834 2.302 10 0 DEAERO CCNc1cc[nH+]c(Cn2cc(Br)ccc2=O)c1 ZINC000092419565 185317009 /nfs/dbraw/zinc/31/70/09/185317009.db2.gz GTJDMVWQOORUGQ-UHFFFAOYSA-N 1 0 308.179 2.486 10 0 DEAERO CCNc1cc[nH+]c(COc2cccc(S(C)(=O)=O)c2)c1 ZINC000092420500 185317150 /nfs/dbraw/zinc/31/71/50/185317150.db2.gz MXLRIAQKISJPQC-UHFFFAOYSA-N 1 0 306.387 2.496 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)n1cnc(C(=O)OC)n1 ZINC000167339132 197706809 /nfs/dbraw/zinc/70/68/09/197706809.db2.gz DWVBGSGNOOHICE-NWDGAFQWSA-N 1 0 308.769 2.045 10 0 DEAERO Nc1nc2cc(Br)cnc2n1[C@@H]1C[NH+]2CCC1CC2 ZINC000092575095 185326703 /nfs/dbraw/zinc/32/67/03/185326703.db2.gz UOFXLGHDDNVCEM-LLVKDONJSA-N 1 0 322.210 2.043 10 0 DEAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(CC)nn(C)c2CC)C1 ZINC000092708756 185335490 /nfs/dbraw/zinc/33/54/90/185335490.db2.gz ZNSXSONLEOMWND-CQSZACIVSA-N 1 0 320.481 2.426 10 0 DEAERO CC1(C)C(CNS(=O)(=O)c2ccc(CC[NH3+])cc2)C1(C)C ZINC000092817182 185343945 /nfs/dbraw/zinc/34/39/45/185343945.db2.gz OEGMPJPLEZDMQN-UHFFFAOYSA-N 1 0 310.463 2.148 10 0 DEAERO COCCC[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000181403934 199291697 /nfs/dbraw/zinc/29/16/97/199291697.db2.gz XTFMNUHEARHJQS-WBVHZDCISA-N 1 0 306.450 2.338 10 0 DEAERO Cc1cc(C[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)ccc1S(C)(=O)=O ZINC000095413094 185358001 /nfs/dbraw/zinc/35/80/01/185358001.db2.gz BYVQXGCEJBHBSS-GOEBONIOSA-N 1 0 324.490 2.217 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(C)s1 ZINC000036266019 539333824 /nfs/dbraw/zinc/33/38/24/539333824.db2.gz GFVUDYFQEKXQRX-LBPRGKRZSA-N 1 0 314.476 2.318 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(Br)s1 ZINC000070680156 539345389 /nfs/dbraw/zinc/34/53/89/539345389.db2.gz MKHNRKMORWDBDX-YUMQZZPRSA-N 1 0 303.225 2.440 10 0 DEAERO CCc1ccc(CN2CC[NH+](C[C@H](O)CSC)CC2)s1 ZINC000187894696 282293730 /nfs/dbraw/zinc/29/37/30/282293730.db2.gz QRIUKHSDZCIJEV-ZDUSSCGKSA-N 1 0 314.520 2.152 10 0 DEAERO CC[NH2+][C@H](CCc1cccs1)C[C@@H]1CCS(=O)(=O)C1 ZINC000097192858 185419769 /nfs/dbraw/zinc/41/97/69/185419769.db2.gz CADIXNWCOOAYMD-QWHCGFSZSA-N 1 0 301.477 2.484 10 0 DEAERO CC[NH+](CC)CC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000189418434 282309096 /nfs/dbraw/zinc/30/90/96/282309096.db2.gz BYKZTRLUGPVDLT-UHFFFAOYSA-N 1 0 323.868 2.156 10 0 DEAERO COC(=O)CC1(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCCC1 ZINC000189447128 282310322 /nfs/dbraw/zinc/31/03/22/282310322.db2.gz RHYDQEIRACNJSH-GJZGRUSLSA-N 1 0 324.465 2.345 10 0 DEAERO COC(=O)CC1(CC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)CCCC1 ZINC000189552701 282312404 /nfs/dbraw/zinc/31/24/04/282312404.db2.gz CMFMGZBMCXNZBR-KBPBESRZSA-N 1 0 310.438 2.051 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)COC)Cc1ccccc1 ZINC000103430127 185451258 /nfs/dbraw/zinc/45/12/58/185451258.db2.gz XVSORDFBNCXFIW-NVXWUHKLSA-N 1 0 306.450 2.338 10 0 DEAERO Cc1ccc([C@H](C[NH2+]Cc2cocn2)N2CCOCC2)cc1 ZINC000192289237 282341244 /nfs/dbraw/zinc/34/12/44/282341244.db2.gz YNULCZLYEPFPCF-KRWDZBQOSA-N 1 0 301.390 2.146 10 0 DEAERO COC(=O)C(C)(C)[C@@H]([NH2+]C[C@@H](O)CSC)c1ccccc1 ZINC000614567747 362410113 /nfs/dbraw/zinc/41/01/13/362410113.db2.gz LJHWGIHIKOMXGL-KGLIPLIRSA-N 1 0 311.447 2.240 10 0 DEAERO C[C@H](C[NH3+])[C@H](O)c1cc(Br)c(Br)o1 ZINC000085914297 539401914 /nfs/dbraw/zinc/40/19/14/539401914.db2.gz XTNQGJKLLPORHQ-FBCQKBJTSA-N 1 0 312.989 2.433 10 0 DEAERO COc1ccc(Br)c(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000089748926 539412938 /nfs/dbraw/zinc/41/29/38/539412938.db2.gz COBIXJLPYXQQAJ-SECBINFHSA-N 1 0 313.195 2.396 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000089745281 539413091 /nfs/dbraw/zinc/41/30/91/539413091.db2.gz RHUCHYKUIZOAAU-DOMZBBRYSA-N 1 0 308.809 2.240 10 0 DEAERO CSC[C@H](C)CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000083410819 192369297 /nfs/dbraw/zinc/36/92/97/192369297.db2.gz GJQBSXDAJXSYMO-CQSZACIVSA-N 1 0 306.475 2.423 10 0 DEAERO O[C@H](C[NH2+]CC1CC(O)C1)COc1cc(Cl)ccc1Cl ZINC000091538718 539419989 /nfs/dbraw/zinc/41/99/89/539419989.db2.gz SCAVRZJYLXZAEM-QEWOUOOISA-N 1 0 320.216 2.094 10 0 DEAERO C[NH2+]C1CCN(C(=O)CCc2nc3c(cccc3C)[nH]2)CC1 ZINC000237111264 282374650 /nfs/dbraw/zinc/37/46/50/282374650.db2.gz KEDDQVKBRBZLKL-UHFFFAOYSA-N 1 0 300.406 2.014 10 0 DEAERO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000245383372 282383991 /nfs/dbraw/zinc/38/39/91/282383991.db2.gz OZJUNHLYGJERQQ-CHWSQXEVSA-N 1 0 301.390 2.092 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2[C@H](C)CCC[C@H]2C)[C@H](C)C1 ZINC000245428444 282387134 /nfs/dbraw/zinc/38/71/34/282387134.db2.gz MOEAAKFUJFAJCX-VQHPVUNQSA-N 1 0 309.498 2.438 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2OC)[C@@H](C)C1 ZINC000245433822 282388049 /nfs/dbraw/zinc/38/80/49/282388049.db2.gz PLJPXVFHZFIVPO-HOCLYGCPSA-N 1 0 319.449 2.296 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000245466682 282390126 /nfs/dbraw/zinc/39/01/26/282390126.db2.gz JLELMQGVRUTPQK-IRXDYDNUSA-N 1 0 317.433 2.428 10 0 DEAERO CO[C@]1(C)C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1(C)C ZINC000245481907 282391243 /nfs/dbraw/zinc/39/12/43/282391243.db2.gz CVJNBOFXBANWPT-AYMQEEERSA-N 1 0 311.470 2.314 10 0 DEAERO COc1cc(C[NH2+]CC(C)(C)CO)cc(Br)c1O ZINC000124311315 539469114 /nfs/dbraw/zinc/46/91/14/539469114.db2.gz FKOJRTDRJZLASK-UHFFFAOYSA-N 1 0 318.211 2.271 10 0 DEAERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc2c(c1)OCCCO2 ZINC000125599897 539473697 /nfs/dbraw/zinc/47/36/97/539473697.db2.gz IUVDZZQHUVOIGY-KBXCAEBGSA-N 1 0 321.417 2.288 10 0 DEAERO O=C(NC[C@H]1CCC[N@H+](Cc2cncnc2)C1)c1ccccc1 ZINC000127305562 539481676 /nfs/dbraw/zinc/48/16/76/539481676.db2.gz QWTIRAPXLJQDBZ-OAHLLOKOSA-N 1 0 310.401 2.119 10 0 DEAERO COc1cccc(N(C)C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000111246757 185563462 /nfs/dbraw/zinc/56/34/62/185563462.db2.gz WZQSVIZZIXOPGH-ZDUSSCGKSA-N 1 0 302.296 2.200 10 0 DEAERO CC[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2C)C1 ZINC000111719335 185630693 /nfs/dbraw/zinc/63/06/93/185630693.db2.gz FLQPBQOSMQMQQP-CYBMUJFWSA-N 1 0 314.426 2.144 10 0 DEAERO O=C(CCOC1CC[NH2+]CC1)Nc1cc(F)c(F)c(F)c1 ZINC000111802674 185638494 /nfs/dbraw/zinc/63/84/94/185638494.db2.gz XCAAOUBUIQYCME-UHFFFAOYSA-N 1 0 302.296 2.201 10 0 DEAERO COC(=O)[C@H](C)[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccccc1 ZINC000246894917 282468208 /nfs/dbraw/zinc/46/82/08/282468208.db2.gz REIBRJGIBFJSBH-BMFZPTHFSA-N 1 0 323.433 2.302 10 0 DEAERO C[C@H]1CSCCN1c1ncc(Br)cc1C[NH3+] ZINC000069761623 190814382 /nfs/dbraw/zinc/81/43/82/190814382.db2.gz FMSRVFYTUAIPJD-QMMMGPOBSA-N 1 0 302.241 2.245 10 0 DEAERO C[C@@H]1CN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C[C@@H](C)O1 ZINC000249528006 282567493 /nfs/dbraw/zinc/56/74/93/282567493.db2.gz VRQRFALZLCFALK-IIAWOOMASA-N 1 0 311.470 2.316 10 0 DEAERO CCC(C)(CC)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000158993719 539580206 /nfs/dbraw/zinc/58/02/06/539580206.db2.gz NLAVIRJPDPSIMR-MRXNPFEDSA-N 1 0 309.498 2.441 10 0 DEAERO C[C@H](O)C(C)(C)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000161141323 539589168 /nfs/dbraw/zinc/58/91/68/539589168.db2.gz HALWYVGXXFLBDE-QMMMGPOBSA-N 1 0 316.195 2.427 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC000162458749 539597317 /nfs/dbraw/zinc/59/73/17/539597317.db2.gz BURWDFXSGOAFBA-DZGCQCFKSA-N 1 0 320.481 2.450 10 0 DEAERO Cc1cnn([C@H]2CCCN(C(=O)[C@H]3[NH2+]CCc4ccccc43)C2)c1 ZINC000168369876 539612133 /nfs/dbraw/zinc/61/21/33/539612133.db2.gz NFMPQXFNAWUQEQ-WMZOPIPTSA-N 1 0 324.428 2.242 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](c2ccc(CO)cc2)C1 ZINC000616612008 362897952 /nfs/dbraw/zinc/89/79/52/362897952.db2.gz LJNGSARUNODOIH-MRXNPFEDSA-N 1 0 320.433 2.493 10 0 DEAERO CC(C)(C)C(=O)N1CCC(c2nnc([C@H]3CCC[NH2+]3)o2)CC1 ZINC000616575008 362893730 /nfs/dbraw/zinc/89/37/30/362893730.db2.gz COXKLIIVOAHYMC-GFCCVEGCSA-N 1 0 306.410 2.246 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000333828773 282975198 /nfs/dbraw/zinc/97/51/98/282975198.db2.gz MDPRYKXOYRINFK-CZUORRHYSA-N 1 0 321.396 2.051 10 0 DEAERO [NH3+][C@@H]1CCCN(c2ncccc2-c2nc(-c3ccccn3)no2)C1 ZINC000070458022 190897457 /nfs/dbraw/zinc/89/74/57/190897457.db2.gz FUUGJUDCDUFJOX-GFCCVEGCSA-N 1 0 322.372 2.121 10 0 DEAERO Clc1cccc([C@H](C[NH2+][C@H]2CCCOC2)N2CCOCC2)c1 ZINC000180536460 539645861 /nfs/dbraw/zinc/64/58/61/539645861.db2.gz VLLZNBOFTQSORI-IRXDYDNUSA-N 1 0 324.852 2.482 10 0 DEAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1F ZINC000181371624 539650779 /nfs/dbraw/zinc/65/07/79/539650779.db2.gz VLLVBYYEQFCXNQ-YDHLFZDLSA-N 1 0 308.397 2.468 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000181346127 539651151 /nfs/dbraw/zinc/65/11/51/539651151.db2.gz VTXSQAWVYVEJPY-MJBXVCDLSA-N 1 0 308.397 2.421 10 0 DEAERO c1cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)n(-c2ccccc2)n1 ZINC000279894032 215214393 /nfs/dbraw/zinc/21/43/93/215214393.db2.gz SWZRZRWLZYPPRO-MRXNPFEDSA-N 1 0 322.416 2.376 10 0 DEAERO CN(CC[N@H+](C)C1CC1)C(=O)c1coc(Br)c1 ZINC000186719866 539676462 /nfs/dbraw/zinc/67/64/62/539676462.db2.gz LYWWSJZZMJXLKO-UHFFFAOYSA-N 1 0 301.184 2.208 10 0 DEAERO [NH3+]C1CCC(OCCCNC(=O)c2ccc(Cl)cn2)CC1 ZINC000083755565 192381920 /nfs/dbraw/zinc/38/19/20/192381920.db2.gz XJDDCVPAMWFWLV-UHFFFAOYSA-N 1 0 311.813 2.141 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000333834538 282977230 /nfs/dbraw/zinc/97/72/30/282977230.db2.gz NDJXKAJVWPFXMA-HOTGVXAUSA-N 1 0 321.396 2.051 10 0 DEAERO [NH3+]C[C@@H](NC[C@@H]1CCCO1)c1ccc(Br)s1 ZINC000083774171 192383283 /nfs/dbraw/zinc/38/32/83/192383283.db2.gz KMQFJYVDTSCPCA-DTWKUNHWSA-N 1 0 305.241 2.279 10 0 DEAERO CC[C@@](C)(O)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000083799445 192384044 /nfs/dbraw/zinc/38/40/44/192384044.db2.gz QMFDOLRLBCTBIE-XJKSGUPXSA-N 1 0 300.443 2.384 10 0 DEAERO Cc1ccc(C)c([S@](=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1 ZINC000083999246 192395714 /nfs/dbraw/zinc/39/57/14/192395714.db2.gz PSEPHBVTRFKSNE-QDUSTFBWSA-N 1 0 309.431 2.034 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2ccc(Br)cc2F)CCC1=O ZINC000084063325 192398748 /nfs/dbraw/zinc/39/87/48/192398748.db2.gz KJSSBBCEWHCJJL-NSHDSACASA-N 1 0 315.186 2.299 10 0 DEAERO Cc1ccc([S@@](=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c(C)c1 ZINC000084000102 192394987 /nfs/dbraw/zinc/39/49/87/192394987.db2.gz GFIYXPNWHSZVSB-KUUHDYPXSA-N 1 0 309.431 2.034 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)c(O)c1 ZINC000236174010 539736904 /nfs/dbraw/zinc/73/69/04/539736904.db2.gz JALAFDKSDYXMEP-ONGXEEELSA-N 1 0 313.195 2.012 10 0 DEAERO CC[NH+](CC)CCCN(CCC(=O)OC)C(=O)c1ccccc1 ZINC000071606764 190993266 /nfs/dbraw/zinc/99/32/66/190993266.db2.gz CGMJUXUUBODDAY-UHFFFAOYSA-N 1 0 320.433 2.424 10 0 DEAERO CCC(CC)C(=O)N(CCC[NH+](C)C)C[C@@H](C)C(=O)OC ZINC000071604462 190992813 /nfs/dbraw/zinc/99/28/13/190992813.db2.gz CUOVESMMSKJOCI-CYBMUJFWSA-N 1 0 300.443 2.012 10 0 DEAERO COc1cc2c(c(OC)c1)[C@H](C[NH3+])N(CCc1nccs1)C2 ZINC000071683948 191007998 /nfs/dbraw/zinc/00/79/98/191007998.db2.gz UJCUSRZDNJYHQO-ZDUSSCGKSA-N 1 0 319.430 2.218 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000245911809 539759479 /nfs/dbraw/zinc/75/94/79/539759479.db2.gz VTXSQAWVYVEJPY-IHRRRGAJSA-N 1 0 308.397 2.421 10 0 DEAERO Cc1ccc([C@H]2N[C@@H](C)C(=O)N2CC(C)(C)C[NH+](C)C)s1 ZINC000138201984 186015282 /nfs/dbraw/zinc/01/52/82/186015282.db2.gz FHFVTGZSGKFUIG-JSGCOSHPSA-N 1 0 309.479 2.463 10 0 DEAERO Cn1c2cccc(S(C)(=O)=O)c2nc1C1([NH3+])CCCCC1 ZINC000138213024 186015338 /nfs/dbraw/zinc/01/53/38/186015338.db2.gz QKRGTBUIIWSPMH-UHFFFAOYSA-N 1 0 307.419 2.095 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000246569620 539765193 /nfs/dbraw/zinc/76/51/93/539765193.db2.gz XJBXRMBMWQGPCQ-SMDDNHRTSA-N 1 0 303.410 2.204 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)NC2(C)CCCC2)c1 ZINC000139138756 186020174 /nfs/dbraw/zinc/02/01/74/186020174.db2.gz VUNJIOUWWILRGA-UHFFFAOYSA-N 1 0 318.389 2.295 10 0 DEAERO C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ncccc2Br)no1 ZINC000139896124 186024357 /nfs/dbraw/zinc/02/43/57/186024357.db2.gz JKECJZCDLBUROB-SFYZADRCSA-N 1 0 309.167 2.360 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1ncccc1Br ZINC000140363399 186026646 /nfs/dbraw/zinc/02/66/46/186026646.db2.gz WQOVCYAHFGHSKK-JTQLQIEISA-N 1 0 321.240 2.059 10 0 DEAERO c1ncc(-c2noc([C@H]3CCCN3C3CC[NH2+]CC3)n2)s1 ZINC000147403703 186039305 /nfs/dbraw/zinc/03/93/05/186039305.db2.gz MJPYJDIFCMTFCN-LLVKDONJSA-N 1 0 305.407 2.082 10 0 DEAERO CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCC(F)F)c1 ZINC000147897446 186042390 /nfs/dbraw/zinc/04/23/90/186042390.db2.gz KGOICHVEEOFMIM-JTQLQIEISA-N 1 0 306.378 2.291 10 0 DEAERO CC(C)CCCCNS(=O)(=O)c1c[nH]c(C[NH2+]C2CC2)c1 ZINC000147921741 186042613 /nfs/dbraw/zinc/04/26/13/186042613.db2.gz GCHQNFFRKFKNCK-UHFFFAOYSA-N 1 0 313.467 2.371 10 0 DEAERO CCc1cc(Br)ccc1NC(=O)[C@]1([NH3+])CCOC1 ZINC000148169602 186042879 /nfs/dbraw/zinc/04/28/79/186042879.db2.gz PIASBDSLXDZSTH-ZDUSSCGKSA-N 1 0 313.195 2.068 10 0 DEAERO CC(C)[NH2+]Cc1cccc(CS(=O)(=O)N(C)C2CCC2)c1 ZINC000144671888 186035818 /nfs/dbraw/zinc/03/58/18/186035818.db2.gz CNWBGHZWGCCATM-UHFFFAOYSA-N 1 0 310.463 2.499 10 0 DEAERO C[NH2+][C@@H](c1sccc1Br)[C@H]1CN(C)CCN1C ZINC000147281095 186038912 /nfs/dbraw/zinc/03/89/12/186038912.db2.gz FRNOPSWSOPRHKR-GHMZBOCLSA-N 1 0 318.284 2.017 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)C1([NH3+])CCOCC1 ZINC000149676834 186052005 /nfs/dbraw/zinc/05/20/05/186052005.db2.gz XOYVHDACALXCPX-UHFFFAOYSA-N 1 0 317.216 2.460 10 0 DEAERO O=C1C[C@H]([NH2+]C[C@H]2CCCS2)C(=O)N1C1CCCCCC1 ZINC000149831788 186052996 /nfs/dbraw/zinc/05/29/96/186052996.db2.gz OIRIPVGWANOYJL-KGLIPLIRSA-N 1 0 310.463 2.322 10 0 DEAERO C[NH2+][C@H](c1cscc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000150084393 186054532 /nfs/dbraw/zinc/05/45/32/186054532.db2.gz MEYXWCQIJKYJAW-XCBNKYQSSA-N 1 0 324.265 2.206 10 0 DEAERO COc1ccc(Br)c(C[C@](O)(C[NH3+])C2CC2)c1 ZINC000150101181 186054604 /nfs/dbraw/zinc/05/46/04/186054604.db2.gz GIYSFWGWGHPDLX-ZDUSSCGKSA-N 1 0 300.196 2.100 10 0 DEAERO CCc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000150797605 186066323 /nfs/dbraw/zinc/06/63/23/186066323.db2.gz GHTNVNBTGWJNEE-XJKSGUPXSA-N 1 0 317.433 2.032 10 0 DEAERO [NH3+]C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C1CCCCC1 ZINC000155823768 186115664 /nfs/dbraw/zinc/11/56/64/186115664.db2.gz CQUOFQKYKGCKJB-LPQFERQCSA-N 1 0 308.447 2.484 10 0 DEAERO CCN(CCC[NH2+][C@@H]1CSc2ccccc21)S(C)(=O)=O ZINC000155831887 186116181 /nfs/dbraw/zinc/11/61/81/186116181.db2.gz IWQPJYUPSAFJOB-CYBMUJFWSA-N 1 0 314.476 2.095 10 0 DEAERO Fc1cccc(COC[C@@H]2C[NH2+]CCO2)c1Br ZINC000163958449 186143614 /nfs/dbraw/zinc/14/36/14/186143614.db2.gz IQZDFMNKRAJCDP-JTQLQIEISA-N 1 0 304.159 2.093 10 0 DEAERO Cc1ccc(Br)c(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])c1 ZINC000163966609 186143964 /nfs/dbraw/zinc/14/39/64/186143964.db2.gz FMSDPADXUWQUGQ-AAEUAGOBSA-N 1 0 313.195 2.060 10 0 DEAERO Cc1ccc([S@](=O)CC(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000155916083 186122814 /nfs/dbraw/zinc/12/28/14/186122814.db2.gz KLSQQBWQOAIBKX-NRFANRHFSA-N 1 0 302.399 2.200 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1cccc(Br)c1 ZINC000159570078 186127971 /nfs/dbraw/zinc/12/79/71/186127971.db2.gz OCSFZDSRVQIGKG-NSHDSACASA-N 1 0 301.184 2.142 10 0 DEAERO COc1cc(C[NH2+]C[C@@H](C)[S@@](C)=O)c(SC)cc1OC ZINC000159610313 186130529 /nfs/dbraw/zinc/13/05/29/186130529.db2.gz HTLVTRIQQCIWKB-SBKAZYGRSA-N 1 0 317.476 2.282 10 0 DEAERO C[NH2+][C@H](CCSC)Cc1c(Br)c(C)nn1C ZINC000163850591 186140481 /nfs/dbraw/zinc/14/04/81/186140481.db2.gz WPSOJDWIWGMAPK-SECBINFHSA-N 1 0 306.273 2.375 10 0 DEAERO Cc1cccc(C)c1NCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000173300875 186173975 /nfs/dbraw/zinc/17/39/75/186173975.db2.gz NCKFDVBMCJISJG-INIZCTEOSA-N 1 0 301.434 2.412 10 0 DEAERO C[C@@H](C(=O)N(Cc1cccs1)C[C@H]1CCCO1)C1C[NH2+]C1 ZINC000164168579 186151234 /nfs/dbraw/zinc/15/12/34/186151234.db2.gz SKUNFTQONZSPIQ-TZMCWYRMSA-N 1 0 308.447 2.111 10 0 DEAERO CCC[C@]1(C(=O)c2c(Br)cnn2C)CC[NH2+]C1 ZINC000164261908 186154007 /nfs/dbraw/zinc/15/40/07/186154007.db2.gz GPQMIWPSAQSEKC-LBPRGKRZSA-N 1 0 300.200 2.145 10 0 DEAERO CC(C)n1ncc(Br)c1C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000164277674 186154499 /nfs/dbraw/zinc/15/44/99/186154499.db2.gz AYHWBJNKXGTKTM-BDAKNGLRSA-N 1 0 300.200 2.265 10 0 DEAERO CCOC(=O)[C@@H](C(=O)N[C@@H](C)C[NH+](CC)CC)C(C)(C)C ZINC000164322760 186155607 /nfs/dbraw/zinc/15/56/07/186155607.db2.gz HSWKOFQDMLSMQS-QWHCGFSZSA-N 1 0 300.443 2.058 10 0 DEAERO CCn1ncc(Br)c1C(=O)c1ccc(CC[NH3+])cc1 ZINC000164332888 186156423 /nfs/dbraw/zinc/15/64/23/186156423.db2.gz YVDXBHXRKMBLNE-UHFFFAOYSA-N 1 0 322.206 2.398 10 0 DEAERO CC(C)n1ncc(Br)c1C(=O)C[C@H]1CC[NH2+]C1 ZINC000164405390 186158698 /nfs/dbraw/zinc/15/86/98/186158698.db2.gz XFFZFCJMNVVGHD-SECBINFHSA-N 1 0 300.200 2.409 10 0 DEAERO Cc1ccccc1CNC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187990131 186240759 /nfs/dbraw/zinc/24/07/59/186240759.db2.gz CCTGEXIOFKZYBH-KSSFIOAISA-N 1 0 304.434 2.094 10 0 DEAERO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000181929735 186220243 /nfs/dbraw/zinc/22/02/43/186220243.db2.gz HBTXPEMZEJOLBE-KGLIPLIRSA-N 1 0 305.422 2.016 10 0 DEAERO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000183902878 186229347 /nfs/dbraw/zinc/22/93/47/186229347.db2.gz LZIHYEDECMCTMC-KBPBESRZSA-N 1 0 320.437 2.155 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)c2ccccc2OC)[C@H](C)C1 ZINC000186047414 186235243 /nfs/dbraw/zinc/23/52/43/186235243.db2.gz QILLFFVIINWFDK-UKRRQHHQSA-N 1 0 318.417 2.067 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000237448895 186291145 /nfs/dbraw/zinc/29/11/45/186291145.db2.gz LDWLBJXCXFMHFQ-MLGOLLRUSA-N 1 0 315.417 2.092 10 0 DEAERO c1ccc(CN2CCSC[C@H]2C[NH2+][C@H]2CCCOC2)cc1 ZINC000277070156 539806582 /nfs/dbraw/zinc/80/65/82/539806582.db2.gz IUNUSHLPPWTQNY-DLBZAZTESA-N 1 0 306.475 2.373 10 0 DEAERO O=C(Nc1ccc2c(c1)CCCO2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171892558 198003201 /nfs/dbraw/zinc/00/32/01/198003201.db2.gz OOMSBIHIFGBSMV-HNNXBMFYSA-N 1 0 301.390 2.324 10 0 DEAERO CCOc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171903839 198005170 /nfs/dbraw/zinc/00/51/70/198005170.db2.gz KFYVXPRZLCNSSF-HNNXBMFYSA-N 1 0 303.406 2.075 10 0 DEAERO O=C(NCc1cccc2cccnc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905213 198005489 /nfs/dbraw/zinc/00/54/89/198005489.db2.gz NIAHQOORSDUFKT-MRXNPFEDSA-N 1 0 310.401 2.224 10 0 DEAERO O=C(NC[C@@H]1CCOc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171908096 198006188 /nfs/dbraw/zinc/00/61/88/198006188.db2.gz DHBRXNQQOMPBPE-LSDHHAIUSA-N 1 0 315.417 2.042 10 0 DEAERO O=C(NC[C@H]1CCOc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171908097 198006304 /nfs/dbraw/zinc/00/63/04/198006304.db2.gz DHBRXNQQOMPBPE-HUUCEWRRSA-N 1 0 315.417 2.042 10 0 DEAERO CCc1nnc(CN2CC[NH+](C3CCC(C)CC3)CC2)n1C ZINC000172011217 198025456 /nfs/dbraw/zinc/02/54/56/198025456.db2.gz HKHZPYPEALYUOJ-UHFFFAOYSA-N 1 0 305.470 2.074 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000172059840 198033261 /nfs/dbraw/zinc/03/32/61/198033261.db2.gz XQXJBPQXNAQPPB-MAUKXSAKSA-N 1 0 324.428 2.110 10 0 DEAERO COCCOc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000172058205 198033359 /nfs/dbraw/zinc/03/33/59/198033359.db2.gz RPKSANWGWUISAN-GDBMZVCRSA-N 1 0 318.417 2.021 10 0 DEAERO CC(=O)c1ccccc1OCCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000172081933 198036848 /nfs/dbraw/zinc/03/68/48/198036848.db2.gz HGDGBSHEGUKFJG-GDBMZVCRSA-N 1 0 302.418 2.437 10 0 DEAERO [NH3+]CC[C@@H]1CCCN(C(=O)c2coc(Br)c2)C1 ZINC000282098122 539819345 /nfs/dbraw/zinc/81/93/45/539819345.db2.gz ZEINFKUVZFOCPH-VIFPVBQESA-N 1 0 301.184 2.243 10 0 DEAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000172168296 198050688 /nfs/dbraw/zinc/05/06/88/198050688.db2.gz VCXYIYJLVQQIKA-VXGBXAGGSA-N 1 0 303.406 2.281 10 0 DEAERO C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC000172247951 198065145 /nfs/dbraw/zinc/06/51/45/198065145.db2.gz MJHITJKLYITTGK-ZDUSSCGKSA-N 1 0 317.433 2.382 10 0 DEAERO Cn1ncc2c1ncnc2NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000172278975 198069866 /nfs/dbraw/zinc/06/98/66/198069866.db2.gz LNNZLMNEFIHOOI-UHFFFAOYSA-N 1 0 314.368 2.176 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)CC(C)(C)C ZINC000172307502 198076923 /nfs/dbraw/zinc/07/69/23/198076923.db2.gz QRRZNFAXZXROLN-CVEARBPZSA-N 1 0 306.450 2.073 10 0 DEAERO CC(C)[C@H](O)CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000172597113 198121019 /nfs/dbraw/zinc/12/10/19/198121019.db2.gz AHVLVOHRWIGKPD-QGZVFWFLSA-N 1 0 319.449 2.099 10 0 DEAERO CCN(C(=O)c1cc(F)c(F)c(F)c1F)[C@@H]1CC[N@H+](C)C1 ZINC000617559120 363187517 /nfs/dbraw/zinc/18/75/17/363187517.db2.gz TZDWHKNVORYWKO-MRVPVSSYSA-N 1 0 304.287 2.409 10 0 DEAERO Cc1ccccc1NC(=O)[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172801160 198150610 /nfs/dbraw/zinc/15/06/10/198150610.db2.gz RLDASSVKENOTCI-JKSUJKDBSA-N 1 0 301.434 2.492 10 0 DEAERO CC(C)[NH+](CCCNS(=O)(=O)N1CCC[C@@H](C)C1)C(C)C ZINC000072717387 191221784 /nfs/dbraw/zinc/22/17/84/191221784.db2.gz HQGIUBAUGGEGBA-OAHLLOKOSA-N 1 0 319.515 2.062 10 0 DEAERO Cc1ncc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)s1 ZINC000329553215 539922856 /nfs/dbraw/zinc/92/28/56/539922856.db2.gz DFCTVRNYXFQFIT-HZMBPMFUSA-N 1 0 306.391 2.427 10 0 DEAERO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000173189958 198193674 /nfs/dbraw/zinc/19/36/74/198193674.db2.gz POTFUWOQRXJPBM-ZFWWWQNUSA-N 1 0 305.422 2.319 10 0 DEAERO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173189908 198193997 /nfs/dbraw/zinc/19/39/97/198193997.db2.gz POTFUWOQRXJPBM-UKRRQHHQSA-N 1 0 305.422 2.319 10 0 DEAERO CCCCCNC(=O)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236747427 201991120 /nfs/dbraw/zinc/99/11/20/201991120.db2.gz ZMWVNYMSTGJNTH-JKSUJKDBSA-N 1 0 323.481 2.049 10 0 DEAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@H](C)[C@H]2C)cc1 ZINC000333192696 539951025 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COc1ccc(OC)c([C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000139416448 355876915 /nfs/dbraw/zinc/87/69/15/355876915.db2.gz OZBYDHYZSYCXGO-CHWSQXEVSA-N 1 0 321.421 2.158 10 0 DEAERO COCc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)o1 ZINC000132202128 355851007 /nfs/dbraw/zinc/85/10/07/355851007.db2.gz JJTRRRKSBAJYDY-OAHLLOKOSA-N 1 0 316.401 2.329 10 0 DEAERO C[N@H+](CCNC(=O)NCc1cscn1)Cc1ccccc1 ZINC000171169645 355997052 /nfs/dbraw/zinc/99/70/52/355997052.db2.gz VEJFZGOTUXXYDF-UHFFFAOYSA-N 1 0 304.419 2.074 10 0 DEAERO CCC[C@H](C)C[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000180046540 356040919 /nfs/dbraw/zinc/04/09/19/356040919.db2.gz KMJRNHWBRONHDG-JKSUJKDBSA-N 1 0 309.498 2.488 10 0 DEAERO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1(CO)CC1 ZINC000180053360 356041215 /nfs/dbraw/zinc/04/12/15/356041215.db2.gz CPZIILJCPFZUJJ-GFCCVEGCSA-N 1 0 310.825 2.192 10 0 DEAERO COc1cccc(-c2ccc(=O)n(CC[NH+]3CCCCC3)n2)c1 ZINC000005400342 181239579 /nfs/dbraw/zinc/23/95/79/181239579.db2.gz GJFUDYFKMXYCBY-UHFFFAOYSA-N 1 0 313.401 2.405 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(S[C@@H](C)C(=O)NC(=O)NC)cc1 ZINC000079580524 191952569 /nfs/dbraw/zinc/95/25/69/191952569.db2.gz CUOCCJLRRAHOOW-QWRGUYRKSA-N 1 0 309.435 2.293 10 0 DEAERO CC(C)Oc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000179116445 356015263 /nfs/dbraw/zinc/01/52/63/356015263.db2.gz QLIQHWXWZLEMJR-ZIAGYGMSSA-N 1 0 305.422 2.424 10 0 DEAERO CC(C)[C@H](C)CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000179375882 356024608 /nfs/dbraw/zinc/02/46/08/356024608.db2.gz URNOHGCUPOSFPV-CQSZACIVSA-N 1 0 322.453 2.113 10 0 DEAERO CCC[NH2+][C@](C)(CCCCn1cc(Cl)c(C)n1)C(N)=O ZINC000080015795 191994965 /nfs/dbraw/zinc/99/49/65/191994965.db2.gz YWNVFZOHJCNGQN-CQSZACIVSA-N 1 0 300.834 2.259 10 0 DEAERO CCC(CC)[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000181412324 356080518 /nfs/dbraw/zinc/08/05/18/356080518.db2.gz FILFITAQTFKLBM-JYJNAYRXSA-N 1 0 311.470 2.364 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N(C)CCC[NH+](C)C)c1 ZINC000181938384 356101875 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C[C@H](NCc1nsc(N(C)C)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686800 356209292 /nfs/dbraw/zinc/20/92/92/356209292.db2.gz HSTRFFABPQYAEP-QWHCGFSZSA-N 1 0 323.510 2.347 10 0 DEAERO CC[C@@H](C)[NH+]1CCN(C[C@H](C(N)=S)c2ccccc2)CC1 ZINC000080797684 192192066 /nfs/dbraw/zinc/19/20/66/192192066.db2.gz FTZHULBHXQHDCN-ZBFHGGJFSA-N 1 0 305.491 2.472 10 0 DEAERO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1cccc(Cl)c1 ZINC000226464720 356278977 /nfs/dbraw/zinc/27/89/77/356278977.db2.gz NKJBBDTXFCEEMH-GFCCVEGCSA-N 1 0 302.827 2.103 10 0 DEAERO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC000194855757 356245587 /nfs/dbraw/zinc/24/55/87/356245587.db2.gz YCRPINAXGUTAPZ-KRWDZBQOSA-N 1 0 312.454 2.202 10 0 DEAERO C[C@H]([NH3+])c1csc(NC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000080864053 192196129 /nfs/dbraw/zinc/19/61/29/192196129.db2.gz PBGJEIBMHNGDJM-QMMMGPOBSA-N 1 0 305.359 2.186 10 0 DEAERO C[C@H]([NH3+])c1csc(NC(=O)c2cccc3c2OCCO3)n1 ZINC000080863804 192196573 /nfs/dbraw/zinc/19/65/73/192196573.db2.gz CVHNIEKHFHYFNH-QMMMGPOBSA-N 1 0 305.359 2.186 10 0 DEAERO CNC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC000085365961 192495546 /nfs/dbraw/zinc/49/55/46/192495546.db2.gz CVIDLYYDHJMKMJ-MFKMUULPSA-N 1 0 309.797 2.156 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N(CCc2ccccc2)[C@H]2CCOC2)C1 ZINC000262289210 356341245 /nfs/dbraw/zinc/34/12/45/356341245.db2.gz NFTDBXUWQGFALN-KURKYZTESA-N 1 0 316.445 2.364 10 0 DEAERO COc1cc([C@H](C)NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000262630871 356342887 /nfs/dbraw/zinc/34/28/87/356342887.db2.gz WDQRKOKEAJNENM-LOWVWBTDSA-N 1 0 322.405 2.017 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080996396 192212003 /nfs/dbraw/zinc/21/20/03/192212003.db2.gz JJODEVOJJPYOJL-LBPRGKRZSA-N 1 0 310.360 2.336 10 0 DEAERO C[C@H]([NH2+]C1CCN(C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400528615 283157897 /nfs/dbraw/zinc/15/78/97/283157897.db2.gz QXWXOILYHXKIEA-KBPBESRZSA-N 1 0 311.470 2.316 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000309547566 356410400 /nfs/dbraw/zinc/41/04/00/356410400.db2.gz CHXMIDOAVWRNLI-QGZVFWFLSA-N 1 0 304.434 2.130 10 0 DEAERO CC1(C)[C@H](C[NH3+])[C@@H]1c1ncc(I)s1 ZINC000306327857 356403787 /nfs/dbraw/zinc/40/37/87/356403787.db2.gz AOBDGCWMQZTBRT-IYSWYEEDSA-N 1 0 308.188 2.446 10 0 DEAERO [NH3+]Cc1cc(I)ncc1C(F)(F)F ZINC000307011408 356406183 /nfs/dbraw/zinc/40/61/83/356406183.db2.gz JVYHJHZDNYQVIS-UHFFFAOYSA-N 1 0 302.037 2.164 10 0 DEAERO CC[N@@H+]1CCC[C@H](Nc2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000319778480 356442517 /nfs/dbraw/zinc/44/25/17/356442517.db2.gz RPFPYCOVKRKCPW-VIFPVBQESA-N 1 0 314.315 2.039 10 0 DEAERO Cc1nn(C)c(Cl)c1C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328655434 356466794 /nfs/dbraw/zinc/46/67/94/356466794.db2.gz YKKOFDLJMSWSPB-GFCCVEGCSA-N 1 0 307.829 2.273 10 0 DEAERO C[C@@H](NC(=O)N[C@@H]1CCO[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000332975134 356472030 /nfs/dbraw/zinc/47/20/30/356472030.db2.gz JCVLETQRZQIBFP-IXYNUQLISA-N 1 0 309.454 2.116 10 0 DEAERO CC[C@@H](C)[C@H]1C[NH2+]C(CC)(CC)CN1CCCS(C)(=O)=O ZINC000085518363 192515305 /nfs/dbraw/zinc/51/53/05/192515305.db2.gz IECLTBCFTXICPV-HUUCEWRRSA-N 1 0 318.527 2.300 10 0 DEAERO CCCS(=O)(=O)Nc1ccc([C@H](O)[C@H]2CCCC[NH2+]2)cc1 ZINC000085685610 192521198 /nfs/dbraw/zinc/52/11/98/192521198.db2.gz BQQGJPJCJDXGDT-CABCVRRESA-N 1 0 312.435 2.014 10 0 DEAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccccc1Br ZINC000086041018 192546671 /nfs/dbraw/zinc/54/66/71/192546671.db2.gz FGRRIHFKOHJRNY-IEBDPFPHSA-N 1 0 318.236 2.349 10 0 DEAERO CN(CCOCc1ccccc1)C(=O)c1ccccc1CC[NH3+] ZINC000384175636 356682217 /nfs/dbraw/zinc/68/22/17/356682217.db2.gz YVKSXCUDHNQZAF-UHFFFAOYSA-N 1 0 312.413 2.477 10 0 DEAERO CC[C@@H]([NH2+]Cc1cc(Br)c(O)c(OC)c1)[C@@H](C)O ZINC000386718958 356698015 /nfs/dbraw/zinc/69/80/15/356698015.db2.gz RMXPUIUEVNTNPT-LDYMZIIASA-N 1 0 318.211 2.412 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(CCO)CC1 ZINC000401155561 356725394 /nfs/dbraw/zinc/72/53/94/356725394.db2.gz QZNOQDLDEPFXCI-UHFFFAOYSA-N 1 0 304.434 2.130 10 0 DEAERO CN1CCO[C@@H](C[N@H+](C)Cc2ccc(Br)cc2)C1 ZINC000404187783 356732388 /nfs/dbraw/zinc/73/23/88/356732388.db2.gz BGAYRRQZCRAQOS-CQSZACIVSA-N 1 0 313.239 2.212 10 0 DEAERO CCS(=O)(=O)CCOC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713704 192595510 /nfs/dbraw/zinc/59/55/10/192595510.db2.gz XRVUHQHAFFVPSL-UHFFFAOYSA-N 1 0 305.484 2.372 10 0 DEAERO CCS(=O)(=O)CCC[C@H](Cc1ccc(F)cc1F)[NH2+]C ZINC000086979819 192605200 /nfs/dbraw/zinc/60/52/00/192605200.db2.gz MEYUUKODZFGYCN-CYBMUJFWSA-N 1 0 305.390 2.310 10 0 DEAERO CC[C@]1(C)C[NH2+][C@H](C(C)(C)C)CN1CCCS(=O)(=O)CC ZINC000086982405 192606362 /nfs/dbraw/zinc/60/63/62/192606362.db2.gz XNJGXWKMEIGZQZ-GOEBONIOSA-N 1 0 318.527 2.300 10 0 DEAERO C[NH2+]CCN(C)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000237266865 202211811 /nfs/dbraw/zinc/21/18/11/202211811.db2.gz FVAIOPGOBIGWFZ-UHFFFAOYSA-N 1 0 302.418 2.206 10 0 DEAERO CC[NH2+]CCCCS(=O)(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000088970722 192674433 /nfs/dbraw/zinc/67/44/33/192674433.db2.gz MZUQNRLAKFZQPD-HUUCEWRRSA-N 1 0 302.484 2.218 10 0 DEAERO CCCNS(=O)(=O)c1ccc(OCC)c(C[NH2+]C2CC2)c1 ZINC000088976107 192677738 /nfs/dbraw/zinc/67/77/38/192677738.db2.gz NCXAPTLULKJQJC-UHFFFAOYSA-N 1 0 312.435 2.026 10 0 DEAERO [NH3+]CCCc1ccc(S(=O)(=O)NC(C2CC2)C2CC2)cc1 ZINC000088998967 192690833 /nfs/dbraw/zinc/69/08/33/192690833.db2.gz ZRMRJPQWJDTNQQ-UHFFFAOYSA-N 1 0 308.447 2.045 10 0 DEAERO CCC[C@@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccccn1 ZINC000591605779 357742614 /nfs/dbraw/zinc/74/26/14/357742614.db2.gz UMPMCFOFVPQZOU-MRXNPFEDSA-N 1 0 313.405 2.151 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc2c(c1)c(C)nn2C ZINC000179252632 199005882 /nfs/dbraw/zinc/00/58/82/199005882.db2.gz MKLUNPSJGUCRON-JKSUJKDBSA-N 1 0 313.449 2.335 10 0 DEAERO COc1cc(F)cc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000179465075 199040073 /nfs/dbraw/zinc/04/00/73/199040073.db2.gz SOMMWAUHKMPQPM-LRDDRELGSA-N 1 0 323.412 2.362 10 0 DEAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc4nccn43)C2)no1 ZINC000179999629 199104975 /nfs/dbraw/zinc/10/49/75/199104975.db2.gz ZRSLSESPFKHZFR-AWEZNQCLSA-N 1 0 311.389 2.480 10 0 DEAERO Cn1cc(-c2cc(CN3CCC[C@@H]3C[NH+]3CCCC3)on2)cn1 ZINC000184993490 199792835 /nfs/dbraw/zinc/79/28/35/199792835.db2.gz NOTPZHAMZQNMJA-OAHLLOKOSA-N 1 0 315.421 2.135 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(NC=O)cc2)[C@@H]1c1ccccc1 ZINC000180120571 199119596 /nfs/dbraw/zinc/11/95/96/199119596.db2.gz JOTUAVSWHCGFET-MSOLQXFVSA-N 1 0 323.396 2.430 10 0 DEAERO COc1cc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)ccc1SC ZINC000180498474 199166935 /nfs/dbraw/zinc/16/69/35/199166935.db2.gz CRCSMUQUTKBLJY-OCCSQVGLSA-N 1 0 310.463 2.398 10 0 DEAERO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1OC ZINC000180606176 199183464 /nfs/dbraw/zinc/18/34/64/199183464.db2.gz RKHBFTAURRYPED-QWHCGFSZSA-N 1 0 316.405 2.269 10 0 DEAERO CC[C@@H](C)Oc1cc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)ccn1 ZINC000180668236 199193772 /nfs/dbraw/zinc/19/37/72/199193772.db2.gz ANORSKXMOMAEAU-HIFRSBDPSA-N 1 0 320.437 2.104 10 0 DEAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000180691697 199197900 /nfs/dbraw/zinc/19/79/00/199197900.db2.gz ZOUFLXADTLYVGB-NYHFZMIOSA-N 1 0 323.462 2.228 10 0 DEAERO CCOCCNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180732493 199202895 /nfs/dbraw/zinc/20/28/95/199202895.db2.gz AYUPDUZUOVBYKB-JTQLQIEISA-N 1 0 302.777 2.282 10 0 DEAERO C[C@@H](c1cnn(C)c1)N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000180839875 199216135 /nfs/dbraw/zinc/21/61/35/199216135.db2.gz XTSJKHIIFAUQEE-HLIUYOAVSA-N 1 0 321.469 2.243 10 0 DEAERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(Cl)cn2)C1 ZINC000180972915 199235722 /nfs/dbraw/zinc/23/57/22/199235722.db2.gz CHTJVOSPFMHWHT-JSGCOSHPSA-N 1 0 310.829 2.407 10 0 DEAERO CCC[C@H](C(=O)N1CCO[C@@H](Cc2ccccc2)C1)[NH+](C)C ZINC000181181746 199261844 /nfs/dbraw/zinc/26/18/44/199261844.db2.gz UJAUVSMJVBNHCZ-DLBZAZTESA-N 1 0 304.434 2.187 10 0 DEAERO C[NH2+]Cc1sc2ccccc2c1S(=O)(=O)N[C@@H]1C[C@H]1C ZINC000089024290 192702756 /nfs/dbraw/zinc/70/27/56/192702756.db2.gz QROWJLYKTZTCSP-MWLCHTKSSA-N 1 0 310.444 2.307 10 0 DEAERO C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2cc(C[NH3+])ccc2F)C1 ZINC000089050698 192721695 /nfs/dbraw/zinc/72/16/95/192721695.db2.gz IUBKENOLOJRWPU-GHMZBOCLSA-N 1 0 300.399 2.094 10 0 DEAERO CCc1nn(CC)c(COC[C@@H]2CCC[NH2+]2)c1Br ZINC000089351138 192772122 /nfs/dbraw/zinc/77/21/22/192772122.db2.gz DJDHZWDFROOJEO-JTQLQIEISA-N 1 0 316.243 2.497 10 0 DEAERO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)CC1(CO)CC1 ZINC000186818322 200015870 /nfs/dbraw/zinc/01/58/70/200015870.db2.gz RNDHKNPJTPMMIZ-ZIAGYGMSSA-N 1 0 302.418 2.057 10 0 DEAERO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](C)CC2(CO)CC2)c1 ZINC000186758189 200005539 /nfs/dbraw/zinc/00/55/39/200005539.db2.gz PARCDZLYAWWJJH-ZDUSSCGKSA-N 1 0 313.825 2.092 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc(Cl)nc(Cl)c2)C[C@H]1[NH+](C)C ZINC000089710338 192848101 /nfs/dbraw/zinc/84/81/01/192848101.db2.gz QOLAOBTZZZNYPR-PSASIEDQSA-N 1 0 302.205 2.411 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc(F)ccc1OC ZINC000187041822 200051300 /nfs/dbraw/zinc/05/13/00/200051300.db2.gz PTBSEWNCOINIGA-GFCCVEGCSA-N 1 0 311.401 2.364 10 0 DEAERO NC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188067731 200188682 /nfs/dbraw/zinc/18/86/82/200188682.db2.gz ANJZEWUWDSTEQJ-HOTGVXAUSA-N 1 0 316.426 2.055 10 0 DEAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccn(-c2cccc(F)c2)n1 ZINC000600732572 359814618 /nfs/dbraw/zinc/81/46/18/359814618.db2.gz QZSYAHPHPWOQNH-FKEKPDDDSA-N 1 0 301.365 2.499 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000188462369 200250911 /nfs/dbraw/zinc/25/09/11/200250911.db2.gz AEOXDKKSJGXUDQ-OAHLLOKOSA-N 1 0 305.422 2.493 10 0 DEAERO CO[C@H](C)c1cccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000188503370 200256975 /nfs/dbraw/zinc/25/69/75/200256975.db2.gz BTMKZDORQLZOEW-SNVBAGLBSA-N 1 0 300.362 2.015 10 0 DEAERO COCc1cccc(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000188619387 200275996 /nfs/dbraw/zinc/27/59/96/200275996.db2.gz MYOGQSSFTNCEIK-QGZVFWFLSA-N 1 0 306.450 2.468 10 0 DEAERO C[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)[C@@H](C)C1CCCCC1 ZINC000188638071 200278821 /nfs/dbraw/zinc/27/88/21/200278821.db2.gz BWMNUKSAZRELOF-NEPJUHHUSA-N 1 0 304.438 2.390 10 0 DEAERO CC(C)n1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000188719122 200293078 /nfs/dbraw/zinc/29/30/78/200293078.db2.gz ZUMHLEHNDTWPRH-MRXNPFEDSA-N 1 0 300.406 2.497 10 0 DEAERO CC(C)n1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000188719100 200292682 /nfs/dbraw/zinc/29/26/82/200292682.db2.gz ZUMHLEHNDTWPRH-INIZCTEOSA-N 1 0 300.406 2.497 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cnn(C)c1 ZINC000189032653 200338076 /nfs/dbraw/zinc/33/80/76/200338076.db2.gz KERCKKAVMSQRRB-WBMJQRKESA-N 1 0 316.380 2.011 10 0 DEAERO [NH3+]Cc1cc(I)cc(C(F)(F)F)n1 ZINC000095766790 283527426 /nfs/dbraw/zinc/52/74/26/283527426.db2.gz IFVTYXICSYYUND-UHFFFAOYSA-N 1 0 302.037 2.164 10 0 DEAERO c1ccc(OCCOCC[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000441656742 238030174 /nfs/dbraw/zinc/03/01/74/238030174.db2.gz PEGYYSZMXLFEII-SJORKVTESA-N 1 0 305.418 2.440 10 0 DEAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000191205780 200644670 /nfs/dbraw/zinc/64/46/70/200644670.db2.gz WVQRAVYAENDOTJ-LLVKDONJSA-N 1 0 304.442 2.104 10 0 DEAERO Cc1nc(-c2ccccc2)[nH]c1C(=O)NCCCC[NH+](C)C ZINC000603292119 360781234 /nfs/dbraw/zinc/78/12/34/360781234.db2.gz YQZLZXVSDCAXDA-UHFFFAOYSA-N 1 0 300.406 2.457 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000292751080 223229870 /nfs/dbraw/zinc/22/98/70/223229870.db2.gz ILBZHYQTPFMWMY-ROUUACIJSA-N 1 0 312.417 2.470 10 0 DEAERO CC[C@@H](C[C@H](C)CO)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000608722016 361255504 /nfs/dbraw/zinc/25/55/04/361255504.db2.gz HHNPHTQURDOMKI-MGLUKCQKSA-N 1 0 311.470 2.098 10 0 DEAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000193323457 201029925 /nfs/dbraw/zinc/02/99/25/201029925.db2.gz USBLOGCBAZFOBN-ZDUSSCGKSA-N 1 0 304.438 2.037 10 0 DEAERO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCn2ccccc2=O)C1 ZINC000610763254 361462006 /nfs/dbraw/zinc/46/20/06/361462006.db2.gz ICLUBSYQIFKLTL-OAHLLOKOSA-N 1 0 320.433 2.292 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2nc3cccnc3s2)CC[N@@H+]1C ZINC000193958823 201153355 /nfs/dbraw/zinc/15/33/55/201153355.db2.gz WQSNDJRXJXVPHF-GHMZBOCLSA-N 1 0 304.419 2.246 10 0 DEAERO C=Cn1cc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cn1 ZINC000194185934 201193411 /nfs/dbraw/zinc/19/34/11/201193411.db2.gz HFUIVGUTWOXPEY-UHFFFAOYSA-N 1 0 310.401 2.378 10 0 DEAERO CCN1C[C@@H](CN(C)[C@H](C(=O)OC)C2CC2)Oc2ccccc21 ZINC000611660053 361654141 /nfs/dbraw/zinc/65/41/41/361654141.db2.gz MTWAISFDNPXVME-PBHICJAKSA-N 1 0 318.417 2.157 10 0 DEAERO CCCCOC[C@@H](O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000195126326 201342902 /nfs/dbraw/zinc/34/29/02/201342902.db2.gz GXVJNRXMVWLMGR-SFHVURJKSA-N 1 0 317.433 2.482 10 0 DEAERO CC(=O)c1cccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000620971979 364217716 /nfs/dbraw/zinc/21/77/16/364217716.db2.gz UIFVPNQWWZYMFM-QGZVFWFLSA-N 1 0 318.417 2.072 10 0 DEAERO O=C(C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCCCCC1 ZINC000120761956 283760343 /nfs/dbraw/zinc/76/03/43/283760343.db2.gz OLAYHUJEAAMBAA-SJORKVTESA-N 1 0 308.466 2.405 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1cccc(F)c1 ZINC000247494391 202678044 /nfs/dbraw/zinc/67/80/44/202678044.db2.gz UMZFJZUEMQLUHI-BBRMVZONSA-N 1 0 305.397 2.246 10 0 DEAERO Cn1cncc1[C@@H]1C[C@H]([NH2+]Cc2cccc3c2OCO3)CCO1 ZINC000275399913 212309599 /nfs/dbraw/zinc/30/95/99/212309599.db2.gz CLEHTMPPIBJAKN-CJNGLKHVSA-N 1 0 315.373 2.159 10 0 DEAERO O=C(C[C@H]1C[NH2+]CCO1)Nc1cc(Cl)cc2cccnc21 ZINC000091299705 193034304 /nfs/dbraw/zinc/03/43/04/193034304.db2.gz AJHIXBHDXCSKOL-LBPRGKRZSA-N 1 0 305.765 2.205 10 0 DEAERO CN(CC1CC(O)C1)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000091450817 193057837 /nfs/dbraw/zinc/05/78/37/193057837.db2.gz HVIJZDSYGXNBHD-BOBPJJCASA-N 1 0 319.268 2.213 10 0 DEAERO CN(Cc1ccc(Cl)s1)[C@@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323401 193040501 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ZINC000091525279 193068843 /nfs/dbraw/zinc/06/88/43/193068843.db2.gz ZDGPACRHPVKEGW-UHFFFAOYSA-N 1 0 308.325 2.129 10 0 DEAERO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091586023 193075895 /nfs/dbraw/zinc/07/58/95/193075895.db2.gz ZSMKHXUVTJHBOH-ZWKOTPCHSA-N 1 0 316.445 2.188 10 0 DEAERO COc1ccc(Br)c(C[C@H](O)C[NH2+]C(C)C)c1 ZINC000091470164 193060165 /nfs/dbraw/zinc/06/01/65/193060165.db2.gz NOOXMDYMWFAXAK-NSHDSACASA-N 1 0 302.212 2.359 10 0 DEAERO CCOCCOCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091787922 193108356 /nfs/dbraw/zinc/10/83/56/193108356.db2.gz GHSJHERALIUMDZ-UHFFFAOYSA-N 1 0 320.433 2.317 10 0 DEAERO CC(C)CCCNC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000091845870 193116701 /nfs/dbraw/zinc/11/67/01/193116701.db2.gz DCXUXKDPMDCDOS-QGZVFWFLSA-N 1 0 324.513 2.234 10 0 DEAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)Cc1ccccc1 ZINC000091852199 193117636 /nfs/dbraw/zinc/11/76/36/193117636.db2.gz OBFKGYRYINNGRX-UHFFFAOYSA-N 1 0 310.463 2.498 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2cc(C)ccc2F)CC1 ZINC000091872592 193121317 /nfs/dbraw/zinc/12/13/17/193121317.db2.gz YUYZRRXOIIWOST-UHFFFAOYSA-N 1 0 314.426 2.285 10 0 DEAERO COc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(OC)c1 ZINC000091985941 193135586 /nfs/dbraw/zinc/13/55/86/193135586.db2.gz KJACSSDLTJTXNQ-QWHCGFSZSA-N 1 0 319.405 2.404 10 0 DEAERO Cc1cc(C)c(C(N)=S)c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000092005319 193140672 /nfs/dbraw/zinc/14/06/72/193140672.db2.gz WDXQHYUFDNBTEP-OLZOCXBDSA-N 1 0 304.463 2.006 10 0 DEAERO [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)C(F)(F)F ZINC000449732508 241005832 /nfs/dbraw/zinc/00/58/32/241005832.db2.gz ZTYFQWWRHNEBQZ-XRNSZHNASA-N 1 0 322.277 2.464 10 0 DEAERO C[NH2+]CCOCCN(C)Cc1sccc1Br ZINC000629570658 367257046 /nfs/dbraw/zinc/25/70/46/367257046.db2.gz FRTPMZPKUSVQBF-UHFFFAOYSA-N 1 0 307.257 2.178 10 0 DEAERO CO[C@H]1CN(Cc2ccc(Br)cc2)[C@@](C)(C[NH3+])C1 ZINC000630355853 367607902 /nfs/dbraw/zinc/60/79/02/367607902.db2.gz LOMSRWASDHOMGV-ZIAGYGMSSA-N 1 0 313.239 2.387 10 0 DEAERO C[NH2+]CCOCCNc1ncc(Br)cc1Cl ZINC000630526768 367706751 /nfs/dbraw/zinc/70/67/51/367706751.db2.gz FOUKQYFMZXMLLR-UHFFFAOYSA-N 1 0 308.607 2.145 10 0 DEAERO CCCN(CCC)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115508 193163335 /nfs/dbraw/zinc/16/33/35/193163335.db2.gz UQLZMMQSXOMMTO-UHFFFAOYSA-N 1 0 302.415 2.356 10 0 DEAERO CCN(C1CCCC1)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115670 193163342 /nfs/dbraw/zinc/16/33/42/193163342.db2.gz RPURTZJLBZSZKA-UHFFFAOYSA-N 1 0 314.426 2.498 10 0 DEAERO CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116033 193163890 /nfs/dbraw/zinc/16/38/90/193163890.db2.gz UQVHZTYWWUPSCS-UHFFFAOYSA-N 1 0 312.341 2.249 10 0 DEAERO Cc1cccc(N(C)S(=O)(=O)c2ccc(C[NH3+])cc2F)c1 ZINC000092116035 193164578 /nfs/dbraw/zinc/16/45/78/193164578.db2.gz KNWGKVSLRIUOOJ-UHFFFAOYSA-N 1 0 308.378 2.418 10 0 DEAERO c1c(C[NH2+]CCCc2ccccc2)nnn1C[C@H]1CCOC1 ZINC000631031540 367977286 /nfs/dbraw/zinc/97/72/86/367977286.db2.gz AATQWCUBKCHLKT-MRXNPFEDSA-N 1 0 300.406 2.037 10 0 DEAERO c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]C2CN(c3ccncn3)C2)cc1 ZINC000631747331 368367535 /nfs/dbraw/zinc/36/75/35/368367535.db2.gz FEKSICIEXTWAFL-MAUKXSAKSA-N 1 0 324.428 2.423 10 0 DEAERO C([NH2+]C1CCC2(CCCO2)CC1)c1nnc(C2CCOCC2)[nH]1 ZINC000631693292 368346046 /nfs/dbraw/zinc/34/60/46/368346046.db2.gz KIESVROEQZFJSC-UHFFFAOYSA-N 1 0 320.437 2.280 10 0 DEAERO Brc1ccc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)nc1 ZINC000631890632 368444831 /nfs/dbraw/zinc/44/48/31/368444831.db2.gz UGKSLCYPQUHOHI-RISCZKNCSA-N 1 0 310.239 2.418 10 0 DEAERO COC[C@@H](O)C[N@H+](C)Cc1cc(C)c(Br)s1 ZINC000092256176 193182262 /nfs/dbraw/zinc/18/22/62/193182262.db2.gz OMYSVBGYJYOOOJ-VIFPVBQESA-N 1 0 308.241 2.258 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c(C)s1 ZINC000631978587 368478899 /nfs/dbraw/zinc/47/88/99/368478899.db2.gz DUGGXACWPAVEKV-LBPRGKRZSA-N 1 0 316.492 2.421 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)s1 ZINC000631994386 368485001 /nfs/dbraw/zinc/48/50/01/368485001.db2.gz KWCUAXFYGXMNHO-DGCLKSJQSA-N 1 0 314.476 2.073 10 0 DEAERO CCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000252841865 202872389 /nfs/dbraw/zinc/87/23/89/202872389.db2.gz CJFXANDLFPAOCM-WCFLWFBJSA-N 1 0 314.476 2.058 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cc1Cl ZINC000261865641 203137386 /nfs/dbraw/zinc/13/73/86/203137386.db2.gz CPEFRDRMWTYADJ-KGLIPLIRSA-N 1 0 318.808 2.324 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc2c(c1)CCCC2 ZINC000261868454 203138868 /nfs/dbraw/zinc/13/88/68/203138868.db2.gz STWIIAZJIKNQSR-JLZZUVOBSA-N 1 0 302.418 2.249 10 0 DEAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccccc2Cl)cn1 ZINC000262052669 203183991 /nfs/dbraw/zinc/18/39/91/203183991.db2.gz ZUIROKXNPSFUBM-NEPJUHHUSA-N 1 0 304.781 2.015 10 0 DEAERO O=C(CC[C@@H]1CC[NH2+]C1)N1CCC(Oc2ccccc2)CC1 ZINC000262293141 203251138 /nfs/dbraw/zinc/25/11/38/203251138.db2.gz NLGOKGMJKXWUPR-OAHLLOKOSA-N 1 0 302.418 2.446 10 0 DEAERO C[C@H]1C[C@@H](C(=O)NCc2ccnc(OC3CCCC3)c2)CC[NH2+]1 ZINC000262372596 203276903 /nfs/dbraw/zinc/27/69/03/203276903.db2.gz KFSHZSYBNYGWBZ-ZFWWWQNUSA-N 1 0 317.433 2.407 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)Nc1cccc(-c2nnc(C)n2C)c1 ZINC000262522678 203317659 /nfs/dbraw/zinc/31/76/59/203317659.db2.gz FMAURVLZJTZLDF-MRXNPFEDSA-N 1 0 301.394 2.247 10 0 DEAERO CS(=O)(=O)Nc1ccc(Cl)c(N[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000093206574 193216409 /nfs/dbraw/zinc/21/64/09/193216409.db2.gz JGFCXRVNIVWDTN-RKDXNWHRSA-N 1 0 303.815 2.003 10 0 DEAERO CCn1nc(C)c(Br)c1CO[C@H]1CC[C@H]([NH3+])C1 ZINC000093216630 193216955 /nfs/dbraw/zinc/21/69/55/193216955.db2.gz ABKJYIDCQWXPEC-UWVGGRQHSA-N 1 0 302.216 2.370 10 0 DEAERO [NH2+]=C1NC[C@@H](c2cc(Cl)c3c(c2)OCCCO3)N1C1CC1 ZINC000093373606 193240528 /nfs/dbraw/zinc/24/05/28/193240528.db2.gz IPRFMDBWIXRZDX-LBPRGKRZSA-N 1 0 307.781 2.335 10 0 DEAERO CN(CCc1cccs1)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000093292228 193225326 /nfs/dbraw/zinc/22/53/26/193225326.db2.gz KBKPKNIZHSWLOT-ZDUSSCGKSA-N 1 0 316.492 2.084 10 0 DEAERO Cc1c(C[NH3+])cccc1S(=O)(=O)N(C)CCc1cccs1 ZINC000093294829 193226891 /nfs/dbraw/zinc/22/68/91/193226891.db2.gz PJXKBCNCUGYPNT-UHFFFAOYSA-N 1 0 324.471 2.378 10 0 DEAERO CC(C)[C@@H](C[NH+](C)C)Nc1ncc(N)cc1Br ZINC000093432850 193249533 /nfs/dbraw/zinc/24/95/33/193249533.db2.gz USOSHFLEQQGABD-LLVKDONJSA-N 1 0 301.232 2.424 10 0 DEAERO Nc1cnc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000093433134 193250829 /nfs/dbraw/zinc/25/08/29/193250829.db2.gz DOPDZXUWDKBSBU-LLVKDONJSA-N 1 0 311.227 2.101 10 0 DEAERO NC1=[NH+]C[C@H](C2CCOCC2)N1c1cccc(Br)c1 ZINC000093387595 193242401 /nfs/dbraw/zinc/24/24/01/193242401.db2.gz RMYGWJZLTMDXET-CYBMUJFWSA-N 1 0 324.222 2.379 10 0 DEAERO Cc1cc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)ccc1O ZINC000262694227 203384622 /nfs/dbraw/zinc/38/46/22/203384622.db2.gz AUQGKVHBSGANDG-CYBMUJFWSA-N 1 0 300.362 2.074 10 0 DEAERO CC1CCC(C[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093696893 193291673 /nfs/dbraw/zinc/29/16/73/193291673.db2.gz FROMZHFGXUWELN-NRXISQOPSA-N 1 0 302.484 2.074 10 0 DEAERO C[C@@]([NH3+])(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000093699156 193293368 /nfs/dbraw/zinc/29/33/68/193293368.db2.gz AXWSVHQYRNPFNH-IUODEOHRSA-N 1 0 314.426 2.061 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000093699794 193293965 /nfs/dbraw/zinc/29/39/65/193293965.db2.gz RKHOXYLANCQPDA-SWLSCSKDSA-N 1 0 314.426 2.148 10 0 DEAERO CC[C@]1(C[C@H]2CCCN(S(C)(=O)=O)C2)CCCCC[NH2+]1 ZINC000093700775 193294988 /nfs/dbraw/zinc/29/49/88/193294988.db2.gz BZSFZHGTVMVXAA-HUUCEWRRSA-N 1 0 302.484 2.361 10 0 DEAERO Cc1ccnc(S[C@H]2CCC[C@]([NH2+]C(C)C)(C(N)=O)C2)n1 ZINC000093779125 193305735 /nfs/dbraw/zinc/30/57/35/193305735.db2.gz VPPJGJHZCBGISB-SWLSCSKDSA-N 1 0 308.451 2.042 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2ncc(C)cn2)C1 ZINC000093778943 193305762 /nfs/dbraw/zinc/30/57/62/193305762.db2.gz ORBNLODCPAVHRW-DOMZBBRYSA-N 1 0 308.451 2.043 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2nccc(C)n2)C1 ZINC000093779102 193306734 /nfs/dbraw/zinc/30/67/34/193306734.db2.gz AMCIUBCSQMOUCD-IUODEOHRSA-N 1 0 308.451 2.043 10 0 DEAERO COc1ccc2[nH]c(S[C@H]3CCC[C@@]([NH3+])(CO)C3)nc2c1 ZINC000093786672 193307948 /nfs/dbraw/zinc/30/79/48/193307948.db2.gz PHTZIWSVQMSTSB-NHYWBVRUSA-N 1 0 307.419 2.296 10 0 DEAERO CS(=O)(=O)Nc1ccc(Cl)c(NCC2CC[NH2+]CC2)c1 ZINC000094009908 193338094 /nfs/dbraw/zinc/33/80/94/193338094.db2.gz LJWVRKVCLWOLQK-UHFFFAOYSA-N 1 0 317.842 2.123 10 0 DEAERO CC[NH2+][C@]1(C(=O)[O-])CC[C@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093828207 193313601 /nfs/dbraw/zinc/31/36/01/193313601.db2.gz WUFMGYKPQQEYHE-GOEBONIOSA-N 1 0 300.443 2.109 10 0 DEAERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3ccnn3C)C2)c1 ZINC000093838061 193314928 /nfs/dbraw/zinc/31/49/28/193314928.db2.gz KCWKAJMYSPHCHN-CYBMUJFWSA-N 1 0 301.390 2.427 10 0 DEAERO COC(=O)[C@]1([NH3+])CC[C@@H](Sc2nc3cc(C)ccc3[nH]2)C1 ZINC000093852851 193318971 /nfs/dbraw/zinc/31/89/71/193318971.db2.gz ZLLKAPLWMJAMBR-BMIGLBTASA-N 1 0 305.403 2.386 10 0 DEAERO COc1ccccc1S[C@@H]1CC[C@]([NH2+]C2CC2)(C(N)=O)C1 ZINC000093851853 193319157 /nfs/dbraw/zinc/31/91/57/193319157.db2.gz IFOUAXFZJRBZAN-MLGOLLRUSA-N 1 0 306.431 2.316 10 0 DEAERO NC(=O)[C@]1([NH2+]C2CC2)CC[C@H](Sc2ccc(Cl)cn2)C1 ZINC000093854040 193319955 /nfs/dbraw/zinc/31/99/55/193319955.db2.gz KIAYUTZGLCQHDU-FZMZJTMJSA-N 1 0 311.838 2.356 10 0 DEAERO CN(CC(=O)N1CCC[C@@H]1c1cccs1)CC(C)(C)C[NH3+] ZINC000093874360 193322422 /nfs/dbraw/zinc/32/24/22/193322422.db2.gz HYGAXTWYXHPOFM-CYBMUJFWSA-N 1 0 309.479 2.328 10 0 DEAERO CC[NH2+][C@H]1[C@@H](S(=O)(=O)C2CCOCC2)CCCC1(C)C ZINC000094281966 193356144 /nfs/dbraw/zinc/35/61/44/193356144.db2.gz WZNAAXWQCJYJEO-KBPBESRZSA-N 1 0 303.468 2.137 10 0 DEAERO CCC[NH2+][C@@H]1[C@@H](S(=O)(=O)CCCOC)CCCC1(C)C ZINC000094281915 193356180 /nfs/dbraw/zinc/35/61/80/193356180.db2.gz WXWWIAUJHJWTLX-UONOGXRCSA-N 1 0 305.484 2.385 10 0 DEAERO CC[NH2+][C@@H]1[C@H](S(=O)(=O)C2CCOCC2)CCCC1(C)C ZINC000094281963 193356380 /nfs/dbraw/zinc/35/63/80/193356380.db2.gz WZNAAXWQCJYJEO-ZIAGYGMSSA-N 1 0 303.468 2.137 10 0 DEAERO C[NH+](C)C(C)(C)COc1nc(C(F)(F)F)ccc1C(N)=S ZINC000094336395 193360830 /nfs/dbraw/zinc/36/08/30/193360830.db2.gz OSCDFBIYHNTDJD-UHFFFAOYSA-N 1 0 321.368 2.454 10 0 DEAERO C[C@H](CC[NH+](C)C)Nc1nc(C(F)(F)F)ccc1C(N)=S ZINC000094336073 193361339 /nfs/dbraw/zinc/36/13/39/193361339.db2.gz KQWKDCARXFROGC-MRVPVSSYSA-N 1 0 320.384 2.487 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(OCCS(=O)(=O)CC)c(F)c1 ZINC000094347279 193363542 /nfs/dbraw/zinc/36/35/42/193363542.db2.gz SOSIAZPDCSASGZ-UHFFFAOYSA-N 1 0 321.389 2.278 10 0 DEAERO CCCCNC(=O)COc1c(F)cc(C[C@@H](C)[NH3+])cc1F ZINC000094350177 193363675 /nfs/dbraw/zinc/36/36/75/193363675.db2.gz SXDYVNMETHXOOT-SNVBAGLBSA-N 1 0 300.349 2.150 10 0 DEAERO NC(=O)c1ccc(N(CC2CC[NH2+]CC2)C2CC2)c(Cl)c1 ZINC000094044750 193340937 /nfs/dbraw/zinc/34/09/37/193340937.db2.gz NCSGQCRZNKQXBN-UHFFFAOYSA-N 1 0 307.825 2.407 10 0 DEAERO CCCNc1ncc(C[N@H+](CCOC)[C@H](C)COC)s1 ZINC000094192912 193348477 /nfs/dbraw/zinc/34/84/77/193348477.db2.gz UZVFLLUKUGXYJJ-GFCCVEGCSA-N 1 0 301.456 2.448 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H](OCC2([NH3+])CCCCCC2)C1 ZINC000094638004 193387204 /nfs/dbraw/zinc/38/72/04/193387204.db2.gz YUPKPTHZXQNOGT-UONOGXRCSA-N 1 0 303.468 2.411 10 0 DEAERO C[NH2+][C@H]([C@H]1CCC[C@H](S(C)(=O)=O)C1)C(C)(C)N1CCCC1 ZINC000094642889 193388700 /nfs/dbraw/zinc/38/87/00/193388700.db2.gz PHDVDIFODINXMH-SOUVJXGZSA-N 1 0 316.511 2.052 10 0 DEAERO CC[NH2+][C@H](Cc1ccccn1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641756 193389186 /nfs/dbraw/zinc/38/91/86/193389186.db2.gz OXVNIAZRSUZHFU-VNQPRFMTSA-N 1 0 310.463 2.206 10 0 DEAERO CC(C)[NH2+]CCN1c2ccc(C(F)(F)F)cc2C(=O)C1=O ZINC000094658014 193390724 /nfs/dbraw/zinc/39/07/24/193390724.db2.gz BNLJUIVBOWDPGE-UHFFFAOYSA-N 1 0 300.280 2.233 10 0 DEAERO CC(C)(C)[NH2+]CCn1nnnc1SCc1ccc(O)cc1 ZINC000094689142 193391386 /nfs/dbraw/zinc/39/13/86/193391386.db2.gz IRHVGBOWKAWXAR-UHFFFAOYSA-N 1 0 307.423 2.059 10 0 DEAERO CC(C)(C[NH2+][C@@H]1CCOC2(CCCCC2)C1)S(C)(=O)=O ZINC000094375090 193366849 /nfs/dbraw/zinc/36/68/49/193366849.db2.gz KCPKCZTWGFRBMI-CYBMUJFWSA-N 1 0 303.468 2.281 10 0 DEAERO CC(C)C[NH2+]Cc1cn([C@H]2CCO[C@@]3(CCSC3)C2)nn1 ZINC000094419121 193368767 /nfs/dbraw/zinc/36/87/67/193368767.db2.gz AKJCFJCJPAVLMJ-GJZGRUSLSA-N 1 0 310.467 2.251 10 0 DEAERO CCC[C@H]1CN(CCCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094421009 193368916 /nfs/dbraw/zinc/36/89/16/193368916.db2.gz LAOHKMAKFZCCGX-HNNXBMFYSA-N 1 0 310.463 2.200 10 0 DEAERO COC(=O)CCC[N@H+](C)[C@H]1CCOC2(CCSCC2)C1 ZINC000094410647 193369179 /nfs/dbraw/zinc/36/91/79/193369179.db2.gz HOIFCRNZDSDUBH-ZDUSSCGKSA-N 1 0 301.452 2.316 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNc2nc(Br)cn3ccnc23)C1 ZINC000094487835 193372485 /nfs/dbraw/zinc/37/24/85/193372485.db2.gz WHRWEMWWZFSIDL-JTQLQIEISA-N 1 0 324.226 2.246 10 0 DEAERO CN(c1nc(Br)cn2ccnc12)C1CC[NH+](C)CC1 ZINC000094486228 193373046 /nfs/dbraw/zinc/37/30/46/193373046.db2.gz HCKZHNIYDVILHM-UHFFFAOYSA-N 1 0 324.226 2.022 10 0 DEAERO C[C@H](C[NH+]1CCCC1)Nc1nc(Br)cn2ccnc12 ZINC000094488887 193373206 /nfs/dbraw/zinc/37/32/06/193373206.db2.gz DOCNJKAAWZETCJ-SNVBAGLBSA-N 1 0 324.226 2.388 10 0 DEAERO CCOC(=O)C[C@@]1([NH+]2CCN(C)CC2)CSCC(C)(C)C1 ZINC000094491545 193373235 /nfs/dbraw/zinc/37/32/35/193373235.db2.gz BYAJIIHJWUDNMD-INIZCTEOSA-N 1 0 314.495 2.089 10 0 DEAERO CCOC(=O)C[C@@]1([NH+]2CCOCC2)CSCC(C)(C)C1 ZINC000094491533 193373407 /nfs/dbraw/zinc/37/34/07/193373407.db2.gz RGFACFHXFOGFQG-HNNXBMFYSA-N 1 0 301.452 2.174 10 0 DEAERO CC[NH2+][C@@H]([C@@H]1CSCCO1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094504056 193374263 /nfs/dbraw/zinc/37/42/63/193374263.db2.gz VJEJKNOLVFFZGQ-SOUVJXGZSA-N 1 0 315.479 2.072 10 0 DEAERO CCC[NH2+][C@@H]1CCCc2nc([C@@H]3CN4CCN3CC4)sc21 ZINC000094511048 193375926 /nfs/dbraw/zinc/37/59/26/193375926.db2.gz NIBYVDAYDLLQQN-OCCSQVGLSA-N 1 0 306.479 2.192 10 0 DEAERO CC[C@H](C[NH3+])S(=O)(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000094544501 193378588 /nfs/dbraw/zinc/37/85/88/193378588.db2.gz OKUFKHVFRHFLHX-PQARUHEFSA-N 1 0 314.495 2.392 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000094549357 193378785 /nfs/dbraw/zinc/37/87/85/193378785.db2.gz DAQTWNXJLIMWGN-GXFFZTMASA-N 1 0 300.324 2.444 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2SC(F)F)O1 ZINC000094563105 193379880 /nfs/dbraw/zinc/37/98/80/193379880.db2.gz CNXPMGPTJPGKTR-WPRPVWTQSA-N 1 0 302.346 2.446 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(SC(F)F)cc2)O1 ZINC000094565823 193380722 /nfs/dbraw/zinc/38/07/22/193380722.db2.gz WIJFSTSMXNHLDT-MWLCHTKSSA-N 1 0 302.346 2.446 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2cc(Cl)cc3cccnc32)O1 ZINC000094565803 193380816 /nfs/dbraw/zinc/38/08/16/193380816.db2.gz PVXJZHDCRJXBMW-DGCLKSJQSA-N 1 0 305.765 2.333 10 0 DEAERO C[C@@H]1CC[C@H](C[NH3+])CN1c1nc2c(Br)cccn2n1 ZINC000094608468 193384664 /nfs/dbraw/zinc/38/46/64/193384664.db2.gz SEGVGHFAKDGGBM-NXEZZACHSA-N 1 0 324.226 2.055 10 0 DEAERO CCN(c1nc2ccc(Br)cn2n1)[C@@H]1CCC[NH2+]C1 ZINC000094608214 193384702 /nfs/dbraw/zinc/38/47/02/193384702.db2.gz UWTUQNWUGCZDHF-LLVKDONJSA-N 1 0 324.226 2.070 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC000096102694 193538110 /nfs/dbraw/zinc/53/81/10/193538110.db2.gz JZRPZWJEZOACFY-NSHDSACASA-N 1 0 317.430 2.143 10 0 DEAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCCOCC(F)(F)F ZINC000191214450 284206466 /nfs/dbraw/zinc/20/64/66/284206466.db2.gz DNRMXQIAUOTHKM-UTUOFQBUSA-N 1 0 309.328 2.229 10 0 DEAERO COC1([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)CCOCC1 ZINC000453221902 245003726 /nfs/dbraw/zinc/00/37/26/245003726.db2.gz NSXIMIGKHKZNHH-NVXWUHKLSA-N 1 0 307.434 2.072 10 0 DEAERO NC(=O)C1CCC([NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000096544078 193677757 /nfs/dbraw/zinc/67/77/57/193677757.db2.gz HOEHDZPRWQKLDI-UHFFFAOYSA-N 1 0 306.797 2.121 10 0 DEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000282536098 217070069 /nfs/dbraw/zinc/07/00/69/217070069.db2.gz ZKUSNDVMRPYGCL-CBAPKCEASA-N 1 0 303.225 2.267 10 0 DEAERO Cc1nn(C)c(C[C@@H]([NH3+])c2cccnc2C)c1Br ZINC000097278682 193703694 /nfs/dbraw/zinc/70/36/94/193703694.db2.gz LIKZUUCECNMFBY-LLVKDONJSA-N 1 0 309.211 2.437 10 0 DEAERO O=C(NCc1nccn1-c1ccccc1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000282808906 217265128 /nfs/dbraw/zinc/26/51/28/217265128.db2.gz PCOWPSFZXKVGLZ-SFHVURJKSA-N 1 0 324.428 2.363 10 0 DEAERO CC(=O)N(c1nc(CN[C@@H]2CC[NH2+]C23CCC3)cs1)C1CC1 ZINC000530176985 284360690 /nfs/dbraw/zinc/36/06/90/284360690.db2.gz FIHBNLPJFNBHFI-CQSZACIVSA-N 1 0 320.462 2.033 10 0 DEAERO CO[C@H](C)[C@@]1(C)C[NH+]=C(N)N1c1ccccc1Br ZINC000161550514 197503526 /nfs/dbraw/zinc/50/35/26/197503526.db2.gz YNRQMUPJROBQCH-NOZJJQNGSA-N 1 0 312.211 2.377 10 0 DEAERO Fc1c(Br)ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1F ZINC000530220331 284376844 /nfs/dbraw/zinc/37/68/44/284376844.db2.gz UDNYPQOIEWWBNP-AOOOYVTPSA-N 1 0 317.177 2.379 10 0 DEAERO CCN1CCN([C@H](C[NH3+])c2ccc(Br)s2)CC1 ZINC000019281787 182111709 /nfs/dbraw/zinc/11/17/09/182111709.db2.gz APZHQJIOIFSWPJ-SNVBAGLBSA-N 1 0 318.284 2.148 10 0 DEAERO COCC[NH2+]CCCNCc1c(F)cccc1Br ZINC000160881646 197447285 /nfs/dbraw/zinc/44/72/85/197447285.db2.gz XILOWBVRCOBHCC-UHFFFAOYSA-N 1 0 319.218 2.304 10 0 DEAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)c1ccc(F)c(F)c1F ZINC000019681423 182136130 /nfs/dbraw/zinc/13/61/30/182136130.db2.gz LBJIVRXTNRDCRL-UHFFFAOYSA-N 1 0 313.304 2.458 10 0 DEAERO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000019986425 182173858 /nfs/dbraw/zinc/17/38/58/182173858.db2.gz AIYQQQYADTYPAR-GFCCVEGCSA-N 1 0 305.447 2.381 10 0 DEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000020189408 182195286 /nfs/dbraw/zinc/19/52/86/182195286.db2.gz BWCNUYBGNJCIJW-ZDUSSCGKSA-N 1 0 304.415 2.493 10 0 DEAERO C[C@@H](NS(=O)(=O)c1ccc(F)c(C[NH3+])c1)c1ccccc1 ZINC000020189129 182195383 /nfs/dbraw/zinc/19/53/83/182195383.db2.gz KHKXXKRXZCQIJY-LLVKDONJSA-N 1 0 308.378 2.324 10 0 DEAERO CCc1nn(C)c(C[NH2+]CC(C)(C)OC)c1Br ZINC000160234303 197395148 /nfs/dbraw/zinc/39/51/48/197395148.db2.gz KYGJXQODYGNTGT-UHFFFAOYSA-N 1 0 304.232 2.260 10 0 DEAERO [NH3+]C[C@@H]1CCN(c2cccc(I)c2)C1 ZINC000020479389 182222150 /nfs/dbraw/zinc/22/21/50/182222150.db2.gz DVYAGXGCLXLTBJ-VIFPVBQESA-N 1 0 302.159 2.076 10 0 DEAERO CC(C)NC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH3+] ZINC000020483350 182223120 /nfs/dbraw/zinc/22/31/20/182223120.db2.gz IEPGCZXGVNSDCR-VIFPVBQESA-N 1 0 315.211 2.200 10 0 DEAERO CO[C@@]1(C[NH2+][C@H](C)c2ccc(Br)o2)CCOC1 ZINC000160086421 197384755 /nfs/dbraw/zinc/38/47/55/197384755.db2.gz WZEPHUOBSUQNJI-BXKDBHETSA-N 1 0 304.184 2.498 10 0 DEAERO CCOCCC[NH2+]Cc1c(OCC(N)=O)ccc2ccccc21 ZINC000020872785 182250687 /nfs/dbraw/zinc/25/06/87/182250687.db2.gz VOKJVWZWDLMNBT-UHFFFAOYSA-N 1 0 316.401 2.220 10 0 DEAERO CCC[NH2+]Cc1cccc(OC)c1OCC(=O)NC(C)(C)C ZINC000020872651 182251019 /nfs/dbraw/zinc/25/10/19/182251019.db2.gz RIGCLRDKQUREBS-UHFFFAOYSA-N 1 0 308.422 2.488 10 0 DEAERO Clc1ccc(CC[NH2+]CCN2CCOCC2)c(Cl)c1 ZINC000021519448 182277772 /nfs/dbraw/zinc/27/77/72/182277772.db2.gz DWYJBOULPAZGNC-UHFFFAOYSA-N 1 0 303.233 2.458 10 0 DEAERO O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000021813354 182292958 /nfs/dbraw/zinc/29/29/58/182292958.db2.gz DRZCBRQSTLDXGF-NSHDSACASA-N 1 0 324.324 2.079 10 0 DEAERO CCOC1(CNC(=O)NCC[N@H+]2CC=C(C)CC2)CCCC1 ZINC000454796109 246158469 /nfs/dbraw/zinc/15/84/69/246158469.db2.gz XXCLMRXFVYIVOC-UHFFFAOYSA-N 1 0 309.454 2.287 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+]Cc1cccc(I)c1 ZINC000283794989 217772496 /nfs/dbraw/zinc/77/24/96/217772496.db2.gz APXWTCORPHKCSZ-ZJUUUORDSA-N 1 0 319.186 2.398 10 0 DEAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1ccc(Br)cc1 ZINC000036259466 182811424 /nfs/dbraw/zinc/81/14/24/182811424.db2.gz LKLBFYQMGJVJMF-XWIASGKRSA-N 1 0 309.207 2.272 10 0 DEAERO O=C(NCCCc1[nH+]cc2ccccn21)c1ccc2c(c1)OCO2 ZINC000036127126 182805005 /nfs/dbraw/zinc/80/50/05/182805005.db2.gz ZUZLNNGSKBWBQC-UHFFFAOYSA-N 1 0 323.352 2.426 10 0 DEAERO O=C([C@H]1CCOc2ccccc21)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186525224 284567812 /nfs/dbraw/zinc/56/78/12/284567812.db2.gz ODYILICLKJXNLV-BBRMVZONSA-N 1 0 300.402 2.296 10 0 DEAERO C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000458398850 248290268 /nfs/dbraw/zinc/29/02/68/248290268.db2.gz SPKWDPFJACBYPA-ZDUSSCGKSA-N 1 0 312.454 2.155 10 0 DEAERO CC[C@@H](O)COc1c(Br)cc(C[NH2+]C)cc1OC ZINC000037711836 182919281 /nfs/dbraw/zinc/91/92/81/182919281.db2.gz SRRFNNYFFGEBQV-SNVBAGLBSA-N 1 0 318.211 2.327 10 0 DEAERO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459729031 248667835 /nfs/dbraw/zinc/66/78/35/248667835.db2.gz ZWHYIVBBUIKVLY-SLEUVZQESA-N 1 0 308.813 2.074 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000038050866 182982452 /nfs/dbraw/zinc/98/24/52/182982452.db2.gz QEDASKXYGJEPLN-NWDGAFQWSA-N 1 0 304.362 2.365 10 0 DEAERO CCCNS(=O)(=O)c1ccccc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038050899 182982657 /nfs/dbraw/zinc/98/26/57/182982657.db2.gz QWFLEYNAHVBTIJ-STQMWFEESA-N 1 0 311.451 2.057 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc3nc(SC)sc3c2)C1 ZINC000040632874 183111658 /nfs/dbraw/zinc/11/16/58/183111658.db2.gz DMRXGIXEPTWSJK-ONGXEEELSA-N 1 0 323.443 2.334 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](c2cccs2)C2CCCC2)C1 ZINC000040632649 183111878 /nfs/dbraw/zinc/11/18/78/183111878.db2.gz TUQUZARASSXYRY-GZBFAFLISA-N 1 0 308.447 2.473 10 0 DEAERO C[NH2+]C[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000040601766 183108043 /nfs/dbraw/zinc/10/80/43/183108043.db2.gz KLGHNUABWASEPY-LLVKDONJSA-N 1 0 318.389 2.119 10 0 DEAERO CCOC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000040615942 183109566 /nfs/dbraw/zinc/10/95/66/183109566.db2.gz XXJBGYLFSVBYBU-MRXNPFEDSA-N 1 0 318.417 2.139 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000040832819 183139392 /nfs/dbraw/zinc/13/93/92/183139392.db2.gz KYXSMQKXQYZKKA-ZWNOBZJWSA-N 1 0 300.349 2.320 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000040856029 183142983 /nfs/dbraw/zinc/14/29/83/183142983.db2.gz RLWZLJQAHBYMIR-SNVBAGLBSA-N 1 0 310.419 2.479 10 0 DEAERO CC1(C)CC(Nc2ncnc(N3CCCC3)c2N)CC(C)(C)[NH2+]1 ZINC000040724337 183124829 /nfs/dbraw/zinc/12/48/29/183124829.db2.gz LQFLCPVXXAOVBR-UHFFFAOYSA-N 1 0 318.469 2.380 10 0 DEAERO COc1nc2sccn2c1C[NH2+]CCc1ccc(O)cc1 ZINC000040736193 183126262 /nfs/dbraw/zinc/12/62/62/183126262.db2.gz WWCFRGUNQOQWRS-UHFFFAOYSA-N 1 0 303.387 2.442 10 0 DEAERO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1Cl ZINC000040740993 183127273 /nfs/dbraw/zinc/12/72/73/183127273.db2.gz JXWSRKPDODLNDW-ZACCUICWSA-N 1 0 318.801 2.040 10 0 DEAERO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749336 183129059 /nfs/dbraw/zinc/12/90/59/183129059.db2.gz JDRJIGYCCDXGIV-PRTUASRFSA-N 1 0 308.447 2.105 10 0 DEAERO COc1ccc2[nH+]c(C)cc(N(C)[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000041478866 183193725 /nfs/dbraw/zinc/19/37/25/183193725.db2.gz SGKUUKMGBQBWDE-LBPRGKRZSA-N 1 0 320.414 2.175 10 0 DEAERO CC[NH2+]Cc1cccc(Br)c1O[C@@H](C)C(=O)NC ZINC000042411647 183265933 /nfs/dbraw/zinc/26/59/33/183265933.db2.gz JOYCFVZQBAUUQH-VIFPVBQESA-N 1 0 315.211 2.072 10 0 DEAERO C[C@@H](C[NH3+])CN(C)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000042455695 183272215 /nfs/dbraw/zinc/27/22/15/183272215.db2.gz FDWDKNDQWSYVSW-VIFPVBQESA-N 1 0 310.341 2.011 10 0 DEAERO COc1ccc(Br)cc1CN(C)C[C@H](C)C(N)=[NH2+] ZINC000042459871 183273105 /nfs/dbraw/zinc/27/31/05/183273105.db2.gz ZHSSTFODHMBFRK-VIFPVBQESA-N 1 0 314.227 2.462 10 0 DEAERO CC(C)C[C@H](C)N(C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042594077 183289603 /nfs/dbraw/zinc/28/96/03/183289603.db2.gz MOZWXXJVNLBVBK-NSHDSACASA-N 1 0 304.481 2.304 10 0 DEAERO CC(C)N(CC(=O)Nc1ccccc1C[NH3+])CC(F)(F)F ZINC000042741204 183303881 /nfs/dbraw/zinc/30/38/81/183303881.db2.gz FNJKLMAGKLVNBG-UHFFFAOYSA-N 1 0 303.328 2.357 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)NC ZINC000042946414 183320655 /nfs/dbraw/zinc/32/06/55/183320655.db2.gz TYUACKBSMNSQOG-RBSFLKMASA-N 1 0 309.841 2.329 10 0 DEAERO CC(=O)N1CCCN([C@@H](c2ccc(Cl)cc2)[C@@H](C)[NH3+])CC1 ZINC000042947048 183320863 /nfs/dbraw/zinc/32/08/63/183320863.db2.gz VKNNYYFJGBFUDZ-MLGOLLRUSA-N 1 0 309.841 2.283 10 0 DEAERO CCN(CCO)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953984 183321937 /nfs/dbraw/zinc/32/19/37/183321937.db2.gz YBONPXBNQAEZCV-ZWNOBZJWSA-N 1 0 301.228 2.152 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CC(=O)N1CCCC1 ZINC000043015474 183327469 /nfs/dbraw/zinc/32/74/69/183327469.db2.gz AWHKBPKHLYISHS-MLGOLLRUSA-N 1 0 309.841 2.283 10 0 DEAERO COCCN(CCOC)[C@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043051581 183332661 /nfs/dbraw/zinc/33/26/61/183332661.db2.gz HPPARFYNWOYHMS-DOMZBBRYSA-N 1 0 300.830 2.323 10 0 DEAERO COC(=O)CS[C@@H](C[NH3+])c1ccccc1Br ZINC000043096297 183337392 /nfs/dbraw/zinc/33/73/92/183337392.db2.gz ICTXSDPNZOUVMB-JTQLQIEISA-N 1 0 304.209 2.355 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCC[C@@H]1C(=O)N(C)C ZINC000043252783 183347979 /nfs/dbraw/zinc/34/79/79/183347979.db2.gz JIQRBIHCLCHNPY-CWSCBRNRSA-N 1 0 315.870 2.342 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCN(C)CC1 ZINC000043284397 183350592 /nfs/dbraw/zinc/35/05/92/183350592.db2.gz UVZPUVAQXAQHLZ-JOYOIKCWSA-N 1 0 318.284 2.146 10 0 DEAERO C[NH2+][C@@H](c1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300611 183352043 /nfs/dbraw/zinc/35/20/43/183352043.db2.gz XKYIMTOWHQBLNW-JQWIXIFHSA-N 1 0 323.336 2.280 10 0 DEAERO C[NH2+][C@@H](c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000043300414 183352227 /nfs/dbraw/zinc/35/22/27/183352227.db2.gz HQXKFGXZUQWNFW-JOYOIKCWSA-N 1 0 307.337 2.401 10 0 DEAERO COCCN([C@H](C)COC)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390623 183358648 /nfs/dbraw/zinc/35/86/48/183358648.db2.gz JONXTGJDLYLXKU-ABAIWWIYSA-N 1 0 318.820 2.462 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1ccccc1Cl ZINC000043090125 183335369 /nfs/dbraw/zinc/33/53/69/183335369.db2.gz SMXXLSOTSYKTMZ-MADCSZMMSA-N 1 0 309.826 2.475 10 0 DEAERO CCC(CC)NC(=O)[C@H](C)[N@H+](CCC(N)=S)CC(C)C ZINC000043418462 183361143 /nfs/dbraw/zinc/36/11/43/183361143.db2.gz ZKFHCTXAIBZKDV-LBPRGKRZSA-N 1 0 301.500 2.314 10 0 DEAERO CC[NH2+]Cc1c(N2CCO[C@H]3CCC[C@@H]32)nc2sccn12 ZINC000043426638 183361960 /nfs/dbraw/zinc/36/19/60/183361960.db2.gz OVCDSPDHGWPLNW-AAEUAGOBSA-N 1 0 306.435 2.263 10 0 DEAERO CCCCOCCO[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000044070638 183393203 /nfs/dbraw/zinc/39/32/03/183393203.db2.gz APVYWAMVMFWLSZ-GJZGRUSLSA-N 1 0 301.427 2.093 10 0 DEAERO CC[NH+]1CCC(CNC(=O)C2(C(N)=S)CCCCC2)CC1 ZINC000044782756 183439128 /nfs/dbraw/zinc/43/91/28/183439128.db2.gz LOJTUPUGWRBUIF-UHFFFAOYSA-N 1 0 311.495 2.071 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccc2c(c1)OCCO2 ZINC000102682218 193914545 /nfs/dbraw/zinc/91/45/45/193914545.db2.gz CLMJNRFCORKSSM-CQSZACIVSA-N 1 0 318.417 2.367 10 0 DEAERO CCc1cc(N2CC[C@](O)(c3cn[nH]n3)C2)c2ccccc2[nH+]1 ZINC000284417494 218019892 /nfs/dbraw/zinc/01/98/92/218019892.db2.gz CNOLKXMSKQRDRV-QGZVFWFLSA-N 1 0 309.373 2.013 10 0 DEAERO CC[NH2+][C@@](C)(CCCSc1nc2ccccc2[nH]1)C(N)=O ZINC000045559216 183515479 /nfs/dbraw/zinc/51/54/79/183515479.db2.gz NUZNIBGWSGMIRS-HNNXBMFYSA-N 1 0 306.435 2.289 10 0 DEAERO COCc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000105122822 194076292 /nfs/dbraw/zinc/07/62/92/194076292.db2.gz MKIWIWKTMTUNEC-KRWDZBQOSA-N 1 0 317.433 2.213 10 0 DEAERO Cc1ccc2ccccc2c1C[N@@H+]1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284862493 218211521 /nfs/dbraw/zinc/21/15/21/218211521.db2.gz RDYWYPASEQJTFQ-GOSISDBHSA-N 1 0 308.385 2.360 10 0 DEAERO O=C1C[C@H]([NH2+]CCc2ccccc2)C(=O)N1c1ccccc1F ZINC000105610747 194115297 /nfs/dbraw/zinc/11/52/97/194115297.db2.gz LQOLDDDBXLFJLJ-HNNXBMFYSA-N 1 0 312.344 2.290 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC000105895268 194162323 /nfs/dbraw/zinc/16/23/23/194162323.db2.gz OGAYXIWTSFUJCP-BBRMVZONSA-N 1 0 318.465 2.432 10 0 DEAERO CC[C@@H]1CN(CCOc2c(C)cccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000105912966 194169170 /nfs/dbraw/zinc/16/91/70/194169170.db2.gz LCICMSVQOPPRNS-QZTJIDSGSA-N 1 0 320.477 2.459 10 0 DEAERO CC(C)Oc1cccc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000106098379 194185058 /nfs/dbraw/zinc/18/50/58/194185058.db2.gz IMYDHTZKPBOAEC-HZPDHXFCSA-N 1 0 306.450 2.361 10 0 DEAERO CC(C)Oc1ccccc1CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000106097774 194185179 /nfs/dbraw/zinc/18/51/79/194185179.db2.gz SODHEOOYKMBNFD-HZPDHXFCSA-N 1 0 306.450 2.361 10 0 DEAERO CC[C@@H]1CN(Cc2ccc(C(=O)OC)cc2)CC[N@@H+]1CCOC ZINC000106114477 194188035 /nfs/dbraw/zinc/18/80/35/194188035.db2.gz XOFICAFHMVBWKA-QGZVFWFLSA-N 1 0 320.433 2.016 10 0 DEAERO CC(C)Oc1cccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000106379568 194204568 /nfs/dbraw/zinc/20/45/68/194204568.db2.gz HWJJHIWLMLFJEK-GOSISDBHSA-N 1 0 304.434 2.427 10 0 DEAERO CCOc1ccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1F ZINC000106340187 194198117 /nfs/dbraw/zinc/19/81/17/194198117.db2.gz DBAGDLLJAQRPPO-CYBMUJFWSA-N 1 0 309.385 2.070 10 0 DEAERO CC[C@H]([NH2+]C)c1ccccc1OCC(=O)NCC(F)(F)F ZINC000049309588 183724893 /nfs/dbraw/zinc/72/48/93/183724893.db2.gz IYQVEQQQLSDKRY-NSHDSACASA-N 1 0 304.312 2.414 10 0 DEAERO Cc1cc([C@@H](C)NS(=O)(=O)C[C@H]2CCC[NH2+]C2)c(C)s1 ZINC000049645963 183751905 /nfs/dbraw/zinc/75/19/05/183751905.db2.gz XYECHZBHKFTUHK-YPMHNXCESA-N 1 0 316.492 2.345 10 0 DEAERO CCCN(C(CC)(CC)C[NH3+])S(=O)(=O)c1cncc(F)c1 ZINC000050093768 183772848 /nfs/dbraw/zinc/77/28/48/183772848.db2.gz BJOOEIHRWKRCNI-UHFFFAOYSA-N 1 0 317.430 2.139 10 0 DEAERO CCCC1CCN(S(=O)(=O)CCC2CC[NH2+]CC2)CC1 ZINC000050906498 183807203 /nfs/dbraw/zinc/80/72/03/183807203.db2.gz NHIDNLKWVAZCNB-UHFFFAOYSA-N 1 0 302.484 2.218 10 0 DEAERO Cc1nn(C)c(C)c1-c1csc([C@@H](C)N2CC[NH2+]CC2)n1 ZINC000109472298 194267101 /nfs/dbraw/zinc/26/71/01/194267101.db2.gz BLMABYRKPGAFEY-GFCCVEGCSA-N 1 0 305.451 2.127 10 0 DEAERO CCC[C@@H](c1nc2c(s1)CN(CC)CC2)N1CC[NH2+]CC1 ZINC000109472737 194267137 /nfs/dbraw/zinc/26/71/37/194267137.db2.gz XUZIBBGAKCZHAH-AWEZNQCLSA-N 1 0 308.495 2.268 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000051359241 183824723 /nfs/dbraw/zinc/82/47/23/183824723.db2.gz RYALDJDGISBTNI-QWHCGFSZSA-N 1 0 314.476 2.216 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1COC ZINC000110088919 194308734 /nfs/dbraw/zinc/30/87/34/194308734.db2.gz SNCQCOUSSWFUAZ-OAHLLOKOSA-N 1 0 321.421 2.065 10 0 DEAERO C[NH2+]C[C@@H](Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000052949729 183881639 /nfs/dbraw/zinc/88/16/39/183881639.db2.gz TWZQRVIWEGRGFZ-QWHCGFSZSA-N 1 0 301.839 2.153 10 0 DEAERO C[NH2+]C[C@H](Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052949727 183881642 /nfs/dbraw/zinc/88/16/42/183881642.db2.gz TWZQRVIWEGRGFZ-OLZOCXBDSA-N 1 0 301.839 2.153 10 0 DEAERO COc1ccc(C[C@H](CCS(C)(=O)=O)C[NH2+]C(C)C)cc1 ZINC000052976128 183882717 /nfs/dbraw/zinc/88/27/17/183882717.db2.gz UASFEXNAVLTAFE-HNNXBMFYSA-N 1 0 313.463 2.287 10 0 DEAERO C[C@H]1Cc2ccccc2N(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000110389901 194327460 /nfs/dbraw/zinc/32/74/60/194327460.db2.gz PPQZMOKGPXJXGS-ZFWWWQNUSA-N 1 0 308.447 2.157 10 0 DEAERO C[NH+](C)[C@H]1CCN(c2ccc(C(N)=S)c(C(F)(F)F)c2)C1 ZINC000110278256 194318670 /nfs/dbraw/zinc/31/86/70/194318670.db2.gz ADCRYNGFQWOXEA-JTQLQIEISA-N 1 0 317.380 2.480 10 0 DEAERO C[N@@H+]1CCN(C2N=NC(=S)N2c2ccccc2)CC1(C)C ZINC000110732262 194355234 /nfs/dbraw/zinc/35/52/34/194355234.db2.gz QFQDOZZFZQMPHU-UHFFFAOYSA-N 1 0 303.435 2.086 10 0 DEAERO CCCN(CC(=O)Nc1cccnc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110946449 194373547 /nfs/dbraw/zinc/37/35/47/194373547.db2.gz KOFDAMAUEJEMII-GFCCVEGCSA-N 1 0 310.829 2.138 10 0 DEAERO CC[C@H]([NH3+])[C@H](SCCS(C)(=O)=O)c1ccc(OC)cc1 ZINC000111004082 194379824 /nfs/dbraw/zinc/37/98/24/194379824.db2.gz TWTPIMOTQJYNDV-UONOGXRCSA-N 1 0 317.476 2.251 10 0 DEAERO [NH3+]CCc1cnn(CCOc2ccc(Br)cc2)c1 ZINC000054740892 183949559 /nfs/dbraw/zinc/94/95/59/183949559.db2.gz NFNPNUSMOOJDMA-UHFFFAOYSA-N 1 0 310.195 2.226 10 0 DEAERO CN(CCC[NH+](C)C)c1c(C(N)=S)cnc2ccccc21 ZINC000111139020 194394118 /nfs/dbraw/zinc/39/41/18/194394118.db2.gz BQJYQPLSWMKMEW-UHFFFAOYSA-N 1 0 302.447 2.257 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000159321251 197345155 /nfs/dbraw/zinc/34/51/55/197345155.db2.gz YWFZTTCTCSMBMQ-QMTHXVAHSA-N 1 0 300.349 2.238 10 0 DEAERO C[C@@](O)(C[C@@H]1COCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000156821030 197142624 /nfs/dbraw/zinc/14/26/24/197142624.db2.gz WNXQGUHHCBKIFS-DGCLKSJQSA-N 1 0 305.296 2.171 10 0 DEAERO [NH3+]C1CCC(Oc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000055143513 183966674 /nfs/dbraw/zinc/96/66/74/183966674.db2.gz ZMXYGEDSJHEHKC-UHFFFAOYSA-N 1 0 305.346 2.332 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)CS(C)(=O)=O ZINC000060706158 184154367 /nfs/dbraw/zinc/15/43/67/184154367.db2.gz OWCVQDGMNLATNO-LBPRGKRZSA-N 1 0 309.353 2.271 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)N(C)Cc1ccc(Br)o1 ZINC000061237231 184166956 /nfs/dbraw/zinc/16/69/56/184166956.db2.gz CXJYRDPFQNWANI-VIFPVBQESA-N 1 0 303.200 2.246 10 0 DEAERO COCCN(C)CC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000061376752 184169563 /nfs/dbraw/zinc/16/95/63/184169563.db2.gz BPMWWFYXIPMRMQ-UHFFFAOYSA-N 1 0 308.394 2.403 10 0 DEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc(Br)cn3)C[C@@H]2C1 ZINC000061863907 184190675 /nfs/dbraw/zinc/19/06/75/184190675.db2.gz ZLIJRBNOTQRIHC-SCVCMEIPSA-N 1 0 324.222 2.044 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1ccccc1Cl ZINC000061592683 184175824 /nfs/dbraw/zinc/17/58/24/184175824.db2.gz FCNRMOUDKMWIMS-QWRGUYRKSA-N 1 0 312.826 2.333 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccc(C)o1 ZINC000061594715 184176071 /nfs/dbraw/zinc/17/60/71/184176071.db2.gz VZLWWGLTBFZSIH-PWSUYJOCSA-N 1 0 308.407 2.378 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccc(C)o1 ZINC000061594714 184176233 /nfs/dbraw/zinc/17/62/33/184176233.db2.gz VZLWWGLTBFZSIH-JQWIXIFHSA-N 1 0 308.407 2.378 10 0 DEAERO COC(=O)C[C@@H](C)C[C@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000061830459 184188780 /nfs/dbraw/zinc/18/87/80/184188780.db2.gz AGRBEGDLUWCCPI-UFBFGSQYSA-N 1 0 310.781 2.424 10 0 DEAERO [NH3+]C[C@@H](c1ccccc1OC(F)(F)F)N1CCCOCC1 ZINC000061916559 184195454 /nfs/dbraw/zinc/19/54/54/184195454.db2.gz WVDRJTNKZWCTDD-LBPRGKRZSA-N 1 0 304.312 2.307 10 0 DEAERO CC[C@H]1CC[C@@H](C[NH3+])[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061940920 184197227 /nfs/dbraw/zinc/19/72/27/184197227.db2.gz LCXDYJIMHKNIIA-MELADBBJSA-N 1 0 307.404 2.320 10 0 DEAERO C[NH2+][C@@H](C)c1cnc(N2CCN(CC(F)(F)F)CC2)s1 ZINC000061948519 184197904 /nfs/dbraw/zinc/19/79/04/184197904.db2.gz YGGNFPKZBYKQAN-VIFPVBQESA-N 1 0 308.373 2.108 10 0 DEAERO CC[NH2+]CCS(=O)(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000062027823 184202504 /nfs/dbraw/zinc/20/25/04/184202504.db2.gz VSHIDNCPGQKYKO-NSHDSACASA-N 1 0 304.843 2.272 10 0 DEAERO COc1cc(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)ccn1 ZINC000062070398 184204450 /nfs/dbraw/zinc/20/44/50/184204450.db2.gz ILMOPRKZHSZMJA-UHFFFAOYSA-N 1 0 305.765 2.472 10 0 DEAERO C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000062190512 184217696 /nfs/dbraw/zinc/21/76/96/184217696.db2.gz GPSFQKROMSFMLA-GFCCVEGCSA-N 1 0 324.471 2.159 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000062347633 184231667 /nfs/dbraw/zinc/23/16/67/184231667.db2.gz GSCNPROCDFMMOQ-CABCVRRESA-N 1 0 323.481 2.014 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc2ccc(F)cc2[nH]c1=O ZINC000062347657 184231826 /nfs/dbraw/zinc/23/18/26/184231826.db2.gz QTTODYDEMVNAFS-LLVKDONJSA-N 1 0 319.380 2.127 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC000112460731 194475763 /nfs/dbraw/zinc/47/57/63/194475763.db2.gz SEUAQNFUZQJHHT-LSDHHAIUSA-N 1 0 311.470 2.175 10 0 DEAERO COc1ccc(C[NH2+]C(C)(C)C)c(OCCS(C)(=O)=O)c1 ZINC000062733072 184251155 /nfs/dbraw/zinc/25/11/55/184251155.db2.gz XLRUVYZNUJZVIU-UHFFFAOYSA-N 1 0 315.435 2.007 10 0 DEAERO CC(C)C[NH2+]Cc1c(N(CCO)C(C)C)nc2sccn12 ZINC000062737596 184251984 /nfs/dbraw/zinc/25/19/84/184251984.db2.gz RNOKBKTWMVHCSL-UHFFFAOYSA-N 1 0 310.467 2.349 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCCS(=O)(=O)CC ZINC000062746905 184252249 /nfs/dbraw/zinc/25/22/49/184252249.db2.gz FKKNUUQMTFNOQB-LLVKDONJSA-N 1 0 303.399 2.310 10 0 DEAERO CCCn1c(Sc2cc(Cl)ccc2C(N)=[NH2+])n[nH]c1=O ZINC000062789278 184253293 /nfs/dbraw/zinc/25/32/93/184253293.db2.gz DJTXYGOVXHIUQF-UHFFFAOYSA-N 1 0 311.798 2.070 10 0 DEAERO C[C@]1(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)CC[NH2+]C1 ZINC000062894679 184258856 /nfs/dbraw/zinc/25/88/56/184258856.db2.gz ZQNUTAVWKJSTBY-BBRMVZONSA-N 1 0 308.447 2.255 10 0 DEAERO CC[NH2+]Cc1ccc(O[C@H](CC)C(N)=O)c(Br)c1 ZINC000062701138 184247416 /nfs/dbraw/zinc/24/74/16/184247416.db2.gz FVGMEHWTMXWICH-LLVKDONJSA-N 1 0 315.211 2.201 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)s1 ZINC000063194018 184277765 /nfs/dbraw/zinc/27/77/65/184277765.db2.gz DQKBXMBRRKMUHX-ZYHUDNBSSA-N 1 0 302.465 2.255 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000063213078 184278473 /nfs/dbraw/zinc/27/84/73/184278473.db2.gz LXQCWGAEQGTUKB-JKSUJKDBSA-N 1 0 308.447 2.114 10 0 DEAERO C[C@@H]1[NH2+]CCCN(Cc2ccc(F)cc2Br)C1=O ZINC000063215196 184278816 /nfs/dbraw/zinc/27/88/16/184278816.db2.gz OBHDUSRDNGGLRM-VIFPVBQESA-N 1 0 315.186 2.299 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063213885 184278969 /nfs/dbraw/zinc/27/89/69/184278969.db2.gz PJLGPVKFFJFHHZ-OLZOCXBDSA-N 1 0 300.399 2.072 10 0 DEAERO C[C@@H]1[NH2+]CCCN(Cc2cc(F)ccc2Br)C1=O ZINC000063215236 184279034 /nfs/dbraw/zinc/27/90/34/184279034.db2.gz OSSAQKVAGNRZED-VIFPVBQESA-N 1 0 315.186 2.299 10 0 DEAERO Clc1ccccc1NCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000062974934 184263748 /nfs/dbraw/zinc/26/37/48/184263748.db2.gz LGRNOKMVPDARGR-CQSZACIVSA-N 1 0 309.841 2.158 10 0 DEAERO NC(=S)c1cccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000062980139 184264464 /nfs/dbraw/zinc/26/44/64/184264464.db2.gz XEVQBSBARLWIST-MRXNPFEDSA-N 1 0 303.475 2.381 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(c2nc(Cl)nc(OC(C)C)n2)C1 ZINC000062983325 184264486 /nfs/dbraw/zinc/26/44/86/184264486.db2.gz RXOYBVHXJWOHJR-LLVKDONJSA-N 1 0 313.833 2.233 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])c1cccc(Br)c1 ZINC000063016830 184266859 /nfs/dbraw/zinc/26/68/59/184266859.db2.gz VREPDKNFCLZVMK-NSHDSACASA-N 1 0 306.225 2.274 10 0 DEAERO C[C@@H](CC[NH3+])N(C)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000063086040 184269616 /nfs/dbraw/zinc/26/96/16/184269616.db2.gz FHZOPOIGWMYBKK-VIFPVBQESA-N 1 0 310.341 2.063 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000063097699 184270537 /nfs/dbraw/zinc/27/05/37/184270537.db2.gz NERFZEDGYHUMBG-CQSZACIVSA-N 1 0 316.380 2.226 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NCCC(F)(F)F)cc1 ZINC000063101578 184271010 /nfs/dbraw/zinc/27/10/10/184271010.db2.gz QACWVEMLDDHUIO-UHFFFAOYSA-N 1 0 324.368 2.417 10 0 DEAERO CC[NH2+][C@H](C)c1ccccc1NS(=O)(=O)C[C@@H]1CCCO1 ZINC000063155744 184274585 /nfs/dbraw/zinc/27/45/85/184274585.db2.gz COQQGIATUQZSGD-OLZOCXBDSA-N 1 0 312.435 2.278 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000063168224 184275854 /nfs/dbraw/zinc/27/58/54/184275854.db2.gz WQOIGYMSGDHIMO-HNNXBMFYSA-N 1 0 310.463 2.374 10 0 DEAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCCOCC(F)(F)F ZINC000065296966 184323812 /nfs/dbraw/zinc/32/38/12/184323812.db2.gz LKXBCUAICOIAIW-GFCCVEGCSA-N 1 0 310.360 2.288 10 0 DEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000066068123 184386592 /nfs/dbraw/zinc/38/65/92/184386592.db2.gz CFESLRXYCJDFOT-ZDUSSCGKSA-N 1 0 305.422 2.495 10 0 DEAERO CC(C)C[C@@H]1CN(C2CCS(=O)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000159195837 197334303 /nfs/dbraw/zinc/33/43/03/197334303.db2.gz MDUDUJYFNNEYSF-JQCXZVQFSA-N 1 0 300.512 2.242 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CCO)C2CCCCC2)C1 ZINC000137209355 207357458 /nfs/dbraw/zinc/35/74/58/207357458.db2.gz RMSFBNJZWHOOLP-HOTGVXAUSA-N 1 0 311.470 2.101 10 0 DEAERO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCN1CCCC1=O ZINC000184005647 207364397 /nfs/dbraw/zinc/36/43/97/207364397.db2.gz RFXKUMUDAYHASM-INIZCTEOSA-N 1 0 301.434 2.210 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3sccc3-n3cccc3)C[C@@H]12 ZINC000186925745 207368455 /nfs/dbraw/zinc/36/84/55/207368455.db2.gz SINPWGPEDAWYPK-YNEHKIRRSA-N 1 0 301.415 2.348 10 0 DEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](CC)CCOCC)C(=O)OC ZINC000068647078 184495857 /nfs/dbraw/zinc/49/58/57/184495857.db2.gz WMDQHRYQZNDYJW-GDBMZVCRSA-N 1 0 302.459 2.055 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)ccc1OCCC(=O)OC ZINC000069317553 184506902 /nfs/dbraw/zinc/50/69/02/184506902.db2.gz GZGMBKYZWZWSQM-UHFFFAOYSA-N 1 0 301.770 2.018 10 0 DEAERO C[C@H](CNC(=O)[C@@H]1Oc2ccccc2[C@H]1C)C[NH+]1CCCC1 ZINC000117759821 194846721 /nfs/dbraw/zinc/84/67/21/194846721.db2.gz OHXXHPGSHQPTLY-CKEIUWERSA-N 1 0 302.418 2.399 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCCC1(C)C ZINC000150887203 285025130 /nfs/dbraw/zinc/02/51/30/285025130.db2.gz VSURTZWEGWKBMH-CABCVRRESA-N 1 0 311.470 2.365 10 0 DEAERO COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000119788756 195037201 /nfs/dbraw/zinc/03/72/01/195037201.db2.gz OZSDTCAOZVYYKJ-DYVFJYSZSA-N 1 0 318.417 2.162 10 0 DEAERO COC(=O)CCC1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000538730556 285053753 /nfs/dbraw/zinc/05/37/53/285053753.db2.gz UGDWFRNFWSFYGL-UHFFFAOYSA-N 1 0 301.390 2.500 10 0 DEAERO O=C1NCCCC[C@H]1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000153482889 296366364 /nfs/dbraw/zinc/36/63/64/296366364.db2.gz YVYUKYYQUIOUEB-DLBZAZTESA-N 1 0 307.482 2.243 10 0 DEAERO CC(C)[NH2+]Cc1cccc(Cl)c1OCCS(C)(=O)=O ZINC000159300515 197343532 /nfs/dbraw/zinc/34/35/32/197343532.db2.gz OOKJQIUKNDZXJE-UHFFFAOYSA-N 1 0 305.827 2.261 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000159199255 197334460 /nfs/dbraw/zinc/33/44/60/197334460.db2.gz DNQKAEAXXZHIRX-SNVBAGLBSA-N 1 0 316.785 2.050 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)nn1C(C)(C)C ZINC000159071538 197324915 /nfs/dbraw/zinc/32/49/15/197324915.db2.gz MURWMMXXBXNGMB-SWLSCSKDSA-N 1 0 306.454 2.405 10 0 DEAERO CCCN(CCC)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159053337 197322450 /nfs/dbraw/zinc/32/24/50/197322450.db2.gz UXPAJYAYKFVAGY-UHFFFAOYSA-N 1 0 302.415 2.404 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCCC[C@H]2C)cc(C)c1F ZINC000159050309 197322113 /nfs/dbraw/zinc/32/21/13/197322113.db2.gz GTMZTRSKUPSQGD-GFCCVEGCSA-N 1 0 314.426 2.417 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cnc(Oc2ccccc2)cn1 ZINC000540514688 285119388 /nfs/dbraw/zinc/11/93/88/285119388.db2.gz AWFYYGYGFJLXJO-UHFFFAOYSA-N 1 0 314.389 2.293 10 0 DEAERO CCC[NH2+][C@@H](C)c1ccc(NC(=O)NCC[S@](C)=O)cc1 ZINC000159012697 197318641 /nfs/dbraw/zinc/31/86/41/197318641.db2.gz FBEJEWOJGRDRQY-LAJNKCICSA-N 1 0 311.451 2.247 10 0 DEAERO CCC[NH2+][C@H](C)c1ccc(NC(=O)NCC[S@](C)=O)cc1 ZINC000159012860 197318549 /nfs/dbraw/zinc/31/85/49/197318549.db2.gz FBEJEWOJGRDRQY-XUSGNXJCSA-N 1 0 311.451 2.247 10 0 DEAERO [NH3+][C@H](C[S@@](=O)c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000158983856 197315885 /nfs/dbraw/zinc/31/58/85/197315885.db2.gz XVZBBOOKAOJFNZ-BNYJVKCBSA-N 1 0 308.230 2.465 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Nc1ccc(Br)c(C)n1 ZINC000158955924 197314106 /nfs/dbraw/zinc/31/41/06/197314106.db2.gz JUIXXRAWZHNDKJ-VIFPVBQESA-N 1 0 300.200 2.466 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)C1CCOCC1)C1CCCCC1 ZINC000158873226 197307093 /nfs/dbraw/zinc/30/70/93/197307093.db2.gz LTXRFNVZIHDNEE-OAHLLOKOSA-N 1 0 303.468 2.139 10 0 DEAERO CCO[C@H](C[NH3+])CC[S@](=O)c1ccc(Br)cc1 ZINC000158819801 197303873 /nfs/dbraw/zinc/30/38/73/197303873.db2.gz DSBXOIGOAAUQCD-APPDUMDISA-N 1 0 320.252 2.311 10 0 DEAERO C[NH+](C)CCc1noc(-c2cc(N)cc(C(F)(F)F)c2)n1 ZINC000158683408 197294085 /nfs/dbraw/zinc/29/40/85/197294085.db2.gz MVNYGPUBRXXRSZ-UHFFFAOYSA-N 1 0 300.284 2.442 10 0 DEAERO C[NH2+]Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000158746878 197297832 /nfs/dbraw/zinc/29/78/32/197297832.db2.gz RKBBTXXGYCQIAF-HUUCEWRRSA-N 1 0 308.447 2.135 10 0 DEAERO COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000540816879 285128665 /nfs/dbraw/zinc/12/86/65/285128665.db2.gz ROLBCHILNORQPQ-XJKSGUPXSA-N 1 0 303.406 2.108 10 0 DEAERO Nc1[nH+]c2cc(F)c(Br)cc2n1[C@H]1CCOC1 ZINC000158451556 197274435 /nfs/dbraw/zinc/27/44/35/197274435.db2.gz BMWYOACITVEJQZ-LURJTMIESA-N 1 0 300.131 2.482 10 0 DEAERO C[C@H]([NH2+]Cc1ccc(I)o1)[C@@H]1CCOC1 ZINC000158489781 197277795 /nfs/dbraw/zinc/27/77/95/197277795.db2.gz FTPSWKZXZLHCQY-DTWKUNHWSA-N 1 0 321.158 2.399 10 0 DEAERO C[N@H+](CCCC(=O)Nc1ccc(N)cc1Cl)[C@H]1CCOC1 ZINC000158229367 197255440 /nfs/dbraw/zinc/25/54/40/197255440.db2.gz XAVIAOYMJULFNW-LBPRGKRZSA-N 1 0 311.813 2.362 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000158221058 197254361 /nfs/dbraw/zinc/25/43/61/197254361.db2.gz SGBPMEFTLDTNSV-KRWDZBQOSA-N 1 0 308.470 2.188 10 0 DEAERO C[C@H]1OCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1N ZINC000158178616 197250593 /nfs/dbraw/zinc/25/05/93/197250593.db2.gz UDFIYVUDGMLDIU-YGRLFVJLSA-N 1 0 311.813 2.360 10 0 DEAERO O[C@@H](C[NH2+]CCCn1cccn1)c1cccc(Br)c1 ZINC000158177917 197250456 /nfs/dbraw/zinc/25/04/56/197250456.db2.gz ZCLDBBZSFGTJKQ-AWEZNQCLSA-N 1 0 324.222 2.359 10 0 DEAERO CC(C)[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)C(N)=O ZINC000158124706 197246104 /nfs/dbraw/zinc/24/61/04/197246104.db2.gz MHDBZDBKQQJRQB-LLVKDONJSA-N 1 0 303.175 2.188 10 0 DEAERO O=S(=O)(NCCC1CCC1)c1ccccc1C[NH2+]C1CC1 ZINC000157482334 197191381 /nfs/dbraw/zinc/19/13/81/197191381.db2.gz NVKNEOWLPQSKRR-UHFFFAOYSA-N 1 0 308.447 2.407 10 0 DEAERO CN(C)CC[NH2+]CCOc1cc(F)cc(Br)c1 ZINC000157434834 197187286 /nfs/dbraw/zinc/18/72/86/197187286.db2.gz WJCRCHSLYDCPBV-UHFFFAOYSA-N 1 0 305.191 2.118 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](COc2cc(F)cc(Br)c2)O1 ZINC000157413272 197185572 /nfs/dbraw/zinc/18/55/72/197185572.db2.gz JRMVVCVIQWJGGY-MNOVXSKESA-N 1 0 304.159 2.473 10 0 DEAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)CCOCC)c1 ZINC000157290821 197176854 /nfs/dbraw/zinc/17/68/54/197176854.db2.gz GKVGJDCUPKUFMJ-ZDUSSCGKSA-N 1 0 314.451 2.014 10 0 DEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)CCOC(C)C)cc1 ZINC000157293192 197176950 /nfs/dbraw/zinc/17/69/50/197176950.db2.gz LOFWNCICBJWLJL-CYBMUJFWSA-N 1 0 314.451 2.013 10 0 DEAERO COC[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)C1CC1 ZINC000157208410 197170231 /nfs/dbraw/zinc/17/02/31/197170231.db2.gz JZNMFHJOMWLISF-CVEARBPZSA-N 1 0 305.422 2.014 10 0 DEAERO CSc1nsc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000157077663 197159832 /nfs/dbraw/zinc/15/98/32/197159832.db2.gz ORFIRFDLPIEFLO-DTWKUNHWSA-N 1 0 315.468 2.206 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@@H](C)[C@H](C)[NH3+])CCCC2 ZINC000156825452 197142994 /nfs/dbraw/zinc/14/29/94/197142994.db2.gz GXPFNYWUMAAQPF-IUCAKERBSA-N 1 0 310.419 2.335 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000156148760 197089628 /nfs/dbraw/zinc/08/96/28/197089628.db2.gz SOOLDUARFSIPBT-HUUCEWRRSA-N 1 0 315.502 2.305 10 0 DEAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000156019580 197081151 /nfs/dbraw/zinc/08/11/51/197081151.db2.gz OIOYUIDFALWOPL-UWVGGRQHSA-N 1 0 314.223 2.491 10 0 DEAERO C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[S@](=O)c1cccs1 ZINC000155970715 197078061 /nfs/dbraw/zinc/07/80/61/197078061.db2.gz DJOVQBNJWNYJCZ-CFMSYZGJSA-N 1 0 308.428 2.342 10 0 DEAERO [NH3+]Cc1cccc(NC(=O)CC[S@](=O)c2cccs2)c1 ZINC000155969466 197077286 /nfs/dbraw/zinc/07/72/86/197077286.db2.gz XFGFVWMSGOGQLU-HXUWFJFHSA-N 1 0 308.428 2.343 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)C[S@](=O)c2ccccc2F)cc1 ZINC000155942020 197075967 /nfs/dbraw/zinc/07/59/67/197075967.db2.gz OBLDBIJEPWVBPW-OAQYLSRUSA-N 1 0 306.362 2.031 10 0 DEAERO C[C@H]1C[C@H](Nc2cc(S(C)(=O)=O)ccc2F)CC[N@@H+]1C ZINC000155931081 197075729 /nfs/dbraw/zinc/07/57/29/197075729.db2.gz JGDPOTSNEQHEAR-WDEREUQCSA-N 1 0 300.399 2.124 10 0 DEAERO CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000155633911 197073936 /nfs/dbraw/zinc/07/39/36/197073936.db2.gz SIJJOUIHBSBTOF-ULQDDVLXSA-N 1 0 304.434 2.347 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1coc(-c2cccs2)n1 ZINC000155165637 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HBYCNBKEGLEESX-HOTGVXAUSA-N 1 0 309.417 2.138 10 0 DEAERO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCOCC2)N1c1cccnc1 ZINC000247856267 257116092 /nfs/dbraw/zinc/11/60/92/257116092.db2.gz JYABXTYTNFRTJT-IAGOWNOFSA-N 1 0 315.417 2.078 10 0 DEAERO CC1CCN(C(=O)[C@@H]2CC[C@H]3[C@H](CC[N@@H+]3CC3CC3)O2)CC1 ZINC000247847359 257117030 /nfs/dbraw/zinc/11/70/30/257117030.db2.gz SYNNTTSTHGKAMB-ULQDDVLXSA-N 1 0 306.450 2.277 10 0 DEAERO COCCN1CCO[C@H]2CC[N@H+](Cc3ccc(F)cc3C)C[C@H]21 ZINC000503717318 257209958 /nfs/dbraw/zinc/20/99/58/257209958.db2.gz SRCWWBGJGSHORH-MSOLQXFVSA-N 1 0 322.424 2.056 10 0 DEAERO CCn1cc(CN2CCC[N@H+](Cc3cccc(O)c3)CC2)cn1 ZINC000121642775 195321970 /nfs/dbraw/zinc/32/19/70/195321970.db2.gz MOQBNSBZIKLMAK-UHFFFAOYSA-N 1 0 314.433 2.317 10 0 DEAERO CCCCCn1cc(CNC(=O)N(C)CCC[NH+](C)C)c(C)n1 ZINC000544668785 285366799 /nfs/dbraw/zinc/36/67/99/285366799.db2.gz YHBFJOVSCWLXCP-UHFFFAOYSA-N 1 0 323.485 2.475 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)NCc1cccc(OC(C)(C)C)n1 ZINC000544672784 285366811 /nfs/dbraw/zinc/36/68/11/285366811.db2.gz WYMHOVMIZSDWEL-UHFFFAOYSA-N 1 0 322.453 2.352 10 0 DEAERO C[C@H](CCC[NH3+])C(=O)N(C)Cc1ccc(Br)o1 ZINC000122409390 195447103 /nfs/dbraw/zinc/44/71/03/195447103.db2.gz IUIBGMFYAWQSND-SECBINFHSA-N 1 0 303.200 2.376 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)N1C(=O)[C@H](C)N[C@H]1c1ccsc1 ZINC000122779189 195500265 /nfs/dbraw/zinc/50/02/65/195500265.db2.gz GHGQXXFZRGUDIM-KCQAQPDRSA-N 1 0 307.463 2.441 10 0 DEAERO COc1cc(Br)cc(-n2cncc2C2C[NH2+]C2)c1 ZINC000123191267 195554595 /nfs/dbraw/zinc/55/45/95/195554595.db2.gz PTKUSQJDBZDOPE-UHFFFAOYSA-N 1 0 308.179 2.330 10 0 DEAERO CC[NH2+]C[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000124731383 195673056 /nfs/dbraw/zinc/67/30/56/195673056.db2.gz MAAKGVQJQRFEQR-KGLIPLIRSA-N 1 0 304.500 2.320 10 0 DEAERO COC1CCN(c2cc(Br)ccc2C(N)=[NH2+])CC1 ZINC000124177862 195612582 /nfs/dbraw/zinc/61/25/82/195612582.db2.gz SNLHBLXLOAMJCP-UHFFFAOYSA-N 1 0 312.211 2.348 10 0 DEAERO O=C(NCc1cscn1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000125703576 195776860 /nfs/dbraw/zinc/77/68/60/195776860.db2.gz XYXCXKBOLPBMPS-WFASDCNBSA-N 1 0 320.462 2.301 10 0 DEAERO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]CCCCOCCOC)C1 ZINC000125999285 195801289 /nfs/dbraw/zinc/80/12/89/195801289.db2.gz DCMQMSFLFYMFCR-LSDHHAIUSA-N 1 0 301.427 2.141 10 0 DEAERO CCn1nc(C)c(Br)c1CC(=O)[C@@](C)(CC)C[NH3+] ZINC000126136737 195813926 /nfs/dbraw/zinc/81/39/26/195813926.db2.gz BDZKYQKSMFXUKI-ZDUSSCGKSA-N 1 0 316.243 2.461 10 0 DEAERO C[NH2+]C[C@@H]1CN(Cc2cc(Cl)ccc2OC(F)F)CCO1 ZINC000126367775 195833790 /nfs/dbraw/zinc/83/37/90/195833790.db2.gz DGOJSWFMOHHFMQ-GFCCVEGCSA-N 1 0 320.767 2.362 10 0 DEAERO C[C@H](CC[S@](C)=O)NC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000128399163 195960598 /nfs/dbraw/zinc/96/05/98/195960598.db2.gz CSJZLUDJXXBLSL-MTJIALIYSA-N 1 0 304.500 2.051 10 0 DEAERO CC[NH2+][C@H](c1cnnn1C)c1ccc(Br)c(F)c1 ZINC000128064664 195932618 /nfs/dbraw/zinc/93/26/18/195932618.db2.gz DEQVAGUNRZAFFC-LBPRGKRZSA-N 1 0 313.174 2.416 10 0 DEAERO 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WVFNFXSPPHEPQD-QGZVFWFLSA-N 1 0 321.465 2.239 10 0 DEAERO COC(=O)[C@H](C1CC1)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000359599612 133133571 /nfs/dbraw/zinc/13/35/71/133133571.db2.gz QBTDXNBVMNKANS-KRWDZBQOSA-N 1 0 302.418 2.064 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000359604807 133133688 /nfs/dbraw/zinc/13/36/88/133133688.db2.gz FFLHZFQDSLVXIB-DOTOQJQBSA-N 1 0 308.466 2.382 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CCC(Oc2cc(C)ccn2)CC1 ZINC000360211901 133169047 /nfs/dbraw/zinc/16/90/47/133169047.db2.gz GWHNIISURJONHO-MRXNPFEDSA-N 1 0 304.390 2.185 10 0 DEAERO CC[NH+]1CCC(CCNS(=O)(=O)c2sccc2C)CC1 ZINC000360580864 133191606 /nfs/dbraw/zinc/19/16/06/133191606.db2.gz KFROFERNRKKXNI-UHFFFAOYSA-N 1 0 316.492 2.457 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000361877455 133197110 /nfs/dbraw/zinc/19/71/10/133197110.db2.gz NQLWTLBBHBCACH-QGZVFWFLSA-N 1 0 307.482 2.338 10 0 DEAERO Cc1cc(C)n(CCN2CCO[C@H](COc3ccccc3)C2)n1 ZINC000361989127 133203932 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VFJQVTUDTGNRNQ-CYBMUJFWSA-N 1 0 305.422 2.388 10 0 DEAERO CC(C)OC1CC([NH2+][C@@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000189569445 145030318 /nfs/dbraw/zinc/03/03/18/145030318.db2.gz MKNNHWDCKBQBTF-AVVWSFFYSA-N 1 0 303.406 2.123 10 0 DEAERO FC(F)(F)C(F)(F)COCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000189683404 145031842 /nfs/dbraw/zinc/03/18/42/145031842.db2.gz NBUHBSQOEDKYPH-NSHDSACASA-N 1 0 316.314 2.371 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CCC2(CC1)OCCO2 ZINC000190209692 145039120 /nfs/dbraw/zinc/03/91/20/145039120.db2.gz UGEQHTDSUVEBOL-DLBZAZTESA-N 1 0 308.466 2.478 10 0 DEAERO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC2(CCCC2)OC(C)(C)C1 ZINC000190971277 145051115 /nfs/dbraw/zinc/05/11/15/145051115.db2.gz RSHASFPSUQDFBP-CABCVRRESA-N 1 0 324.465 2.094 10 0 DEAERO C[C@H]1C[N@H+](C[C@H](O)C2CCCCC2)CCN1CC(F)(F)F ZINC000191025491 145052285 /nfs/dbraw/zinc/05/22/85/145052285.db2.gz QRSUNLQOPNIPHU-JSGCOSHPSA-N 1 0 308.388 2.496 10 0 DEAERO O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000191343530 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CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCc3ccccc32)[C@@H](C)C1 ZINC000245437730 145092668 /nfs/dbraw/zinc/09/26/68/145092668.db2.gz RRZLUFKENWTZMI-DOTOQJQBSA-N 1 0 315.461 2.238 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000245440972 145092723 /nfs/dbraw/zinc/09/27/23/145092723.db2.gz VCWKNBLHNLHKDJ-WMZOPIPTSA-N 1 0 317.477 2.307 10 0 DEAERO C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)Oc1cccc(F)c1 ZINC000246139841 145093825 /nfs/dbraw/zinc/09/38/25/145093825.db2.gz JKVUQSUKZHFTBM-HIFRSBDPSA-N 1 0 321.396 2.083 10 0 DEAERO CCOc1ccc(NC(=O)[C@H](C)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246275356 145096581 /nfs/dbraw/zinc/09/65/81/145096581.db2.gz HKPAFACEAHXCML-HOCLYGCPSA-N 1 0 317.433 2.192 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)Oc2ccccc2)C1 ZINC000246333600 145099325 /nfs/dbraw/zinc/09/93/25/145099325.db2.gz IINSANSEVXQTOC-LSDHHAIUSA-N 1 0 305.422 2.237 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CSc2ccccc21 ZINC000246350658 145099575 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CCO[C@@H](C)c1nc(CN2CCO[C@@H](C[NH+](C)C)C2)cs1 ZINC000246814715 145115148 /nfs/dbraw/zinc/11/51/48/145115148.db2.gz RXABHOUKVHCCHH-JSGCOSHPSA-N 1 0 313.467 2.003 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2cccs2)no1 ZINC000246817886 145115704 /nfs/dbraw/zinc/11/57/04/145115704.db2.gz CIJAMAFPAMEPRC-NEPJUHHUSA-N 1 0 304.419 2.467 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn(C(C)(C)C)c1 ZINC000246846804 145116086 /nfs/dbraw/zinc/11/60/86/145116086.db2.gz CASOFIADTFVKAN-GJZGRUSLSA-N 1 0 304.438 2.337 10 0 DEAERO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@H](C)CS(C)(=O)=O ZINC000246951385 145120535 /nfs/dbraw/zinc/12/05/35/145120535.db2.gz NXFWVGJQCPDSRN-BFHYXJOUSA-N 1 0 305.484 2.193 10 0 DEAERO CC(C)CC[C@](C)(O)CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000246971856 145120889 /nfs/dbraw/zinc/12/08/89/145120889.db2.gz GQWYQJJDLGGUID-WBVHZDCISA-N 1 0 313.486 2.205 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1c(C)n[nH]c1C ZINC000246981911 145121560 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C[N@@H+]1CCC[C@H]2CN(C(=O)CCc3ccc(O)cc3)CC[C@H]21 ZINC000248874422 145171241 /nfs/dbraw/zinc/17/12/41/145171241.db2.gz LJMYSZUTPOXQHH-DOTOQJQBSA-N 1 0 302.418 2.268 10 0 DEAERO O[C@@H](C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)C1CCCCC1 ZINC000248873170 145171521 /nfs/dbraw/zinc/17/15/21/145171521.db2.gz DQVCGFQDYRNHIP-CVEARBPZSA-N 1 0 318.465 2.345 10 0 DEAERO Cn1cc(-c2cc(CN3CCO[C@@H]4CCCC[C@H]43)on2)cn1 ZINC000248907127 145173874 /nfs/dbraw/zinc/17/38/74/145173874.db2.gz BICCSLPJNMKFMW-HZPDHXFCSA-N 1 0 302.378 2.219 10 0 DEAERO CC(C)[NH2+]CCN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000249028121 145176099 /nfs/dbraw/zinc/17/60/99/145176099.db2.gz LGOKTIFZCIHUJQ-SOUVJXGZSA-N 1 0 311.470 2.220 10 0 DEAERO Cc1nc(C[C@H]2CCCN([C@H](C)C(=O)NCCC(C)C)C2)no1 ZINC000249916358 145191819 /nfs/dbraw/zinc/19/18/19/145191819.db2.gz XPCNMOSXPVOENI-UKRRQHHQSA-N 1 0 322.453 2.183 10 0 DEAERO CO[C@@H]1C[N@H+](CCC(=O)NC(=O)Nc2ccccc2)CC[C@@H]1C ZINC000251893665 145197097 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C[C@H](C(=O)N1CCc2sccc2C1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261622847 145210795 /nfs/dbraw/zinc/21/07/95/145210795.db2.gz DPPDWMNUNYILBJ-DOMZBBRYSA-N 1 0 321.490 2.081 10 0 DEAERO COc1ccc(OC)c(CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261654054 145213864 /nfs/dbraw/zinc/21/38/64/145213864.db2.gz HPEPDXNEDFXSDC-KRWDZBQOSA-N 1 0 313.401 2.245 10 0 DEAERO COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261668476 145215085 /nfs/dbraw/zinc/21/50/85/145215085.db2.gz FWKQPXOPZVUUKU-GBJTYRQASA-N 1 0 310.438 2.132 10 0 DEAERO COc1ccccc1CC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261664140 145215096 /nfs/dbraw/zinc/21/50/96/145215096.db2.gz FNXMURRAUIKMOQ-UHFFFAOYSA-N 1 0 312.413 2.268 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2ccc(F)cc2Cl)CC[C@H]1[NH3+] ZINC000261683990 145216102 /nfs/dbraw/zinc/21/61/02/145216102.db2.gz HBZWYDZUNRLGDA-GFCCVEGCSA-N 1 0 320.817 2.227 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261689064 145217330 /nfs/dbraw/zinc/21/73/30/145217330.db2.gz HKPGTCXVTSASQU-ZDUSSCGKSA-N 1 0 316.854 2.396 10 0 DEAERO C[C@@H]([NH3+])CC(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000261697462 145217825 /nfs/dbraw/zinc/21/78/25/145217825.db2.gz CJLWRTKGNBHBCU-LLVKDONJSA-N 1 0 312.435 2.076 10 0 DEAERO Cc1c(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)[nH]c2c1C(=O)CCC2 ZINC000261752639 145222994 /nfs/dbraw/zinc/22/29/94/145222994.db2.gz DWALWFDGPBKIER-ZDUSSCGKSA-N 1 0 303.406 2.042 10 0 DEAERO c1c(CN2CC[NH2+]C[C@H]2c2cccnc2)[nH]nc1-c1cccnc1 ZINC000261778015 145225141 /nfs/dbraw/zinc/22/51/41/145225141.db2.gz SYWZMMBCVCVCTO-SFHVURJKSA-N 1 0 320.400 2.013 10 0 DEAERO CCOCCOc1ccccc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261779799 145225827 /nfs/dbraw/zinc/22/58/27/145225827.db2.gz GAZKQRKDACSCDU-MRXNPFEDSA-N 1 0 320.433 2.301 10 0 DEAERO c1nn(-c2ccccc2)c2ncnc(NCC[C@H]3CCC[NH2+]3)c12 ZINC000261803949 145228167 /nfs/dbraw/zinc/22/81/67/145228167.db2.gz FVMQRHLRARWLMF-CYBMUJFWSA-N 1 0 308.389 2.370 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)CC(=O)NCC1CCCCC1 ZINC000261811784 145228654 /nfs/dbraw/zinc/22/86/54/145228654.db2.gz SQYWKRJBKZFONW-UHFFFAOYSA-N 1 0 317.477 2.186 10 0 DEAERO Cc1cccn2c(CN3CC[NH2+]C[C@H]3c3cccnc3)cnc12 ZINC000261817657 145229473 /nfs/dbraw/zinc/22/94/73/145229473.db2.gz XOPCYKSJVORGJQ-KRWDZBQOSA-N 1 0 307.401 2.184 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)CC[C@H]2CC[NH2+]C2)no1 ZINC000261847431 145233138 /nfs/dbraw/zinc/23/31/38/145233138.db2.gz OLELELXFEHYUBC-STQMWFEESA-N 1 0 306.410 2.246 10 0 DEAERO Cc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1OC(F)F ZINC000261845765 145233305 /nfs/dbraw/zinc/23/33/05/145233305.db2.gz LYLIFIQYBUOXBQ-UHFFFAOYSA-N 1 0 300.305 2.043 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000261852862 145233624 /nfs/dbraw/zinc/23/36/24/145233624.db2.gz QJCSCGWEXMKLHX-PWSUYJOCSA-N 1 0 316.323 2.323 10 0 DEAERO C[C@H]([NH3+])CC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000261877572 145237338 /nfs/dbraw/zinc/23/73/38/145237338.db2.gz SMBOTDHHUAIQCL-WMLDXEAASA-N 1 0 317.477 2.313 10 0 DEAERO CC(C)[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1nnc2ccccn21 ZINC000261879842 145237406 /nfs/dbraw/zinc/23/74/06/145237406.db2.gz YYDCOHJRBPZBJF-WOSRLPQWSA-N 1 0 315.421 2.060 10 0 DEAERO COc1cc(N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc(OC)c1 ZINC000261888057 145238068 /nfs/dbraw/zinc/23/80/68/145238068.db2.gz GDQMBRSSCRDPSK-ZACQAIPSSA-N 1 0 306.406 2.273 10 0 DEAERO COc1cccc(C[C@H](C)NC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000261929095 145243279 /nfs/dbraw/zinc/24/32/79/145243279.db2.gz KQHQRMIFTLSTMC-XJKSGUPXSA-N 1 0 302.418 2.132 10 0 DEAERO COc1ccccc1[C@H]1CNCCN1C(=O)CCCCCC[NH3+] ZINC000261950369 145245828 /nfs/dbraw/zinc/24/58/28/145245828.db2.gz LNCUIKQGYZWYMU-MRXNPFEDSA-N 1 0 319.449 2.077 10 0 DEAERO Cc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261974400 145248707 /nfs/dbraw/zinc/24/87/07/145248707.db2.gz QZFNQEPUPVPZLX-KURKYZTESA-N 1 0 304.434 2.121 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1ccc(F)cc1F ZINC000261976920 145248729 /nfs/dbraw/zinc/24/87/29/145248729.db2.gz ZSPXYLMLVOILGJ-DXCKQFNASA-N 1 0 324.371 2.114 10 0 DEAERO COC(=O)c1nc([C@@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)sc1C ZINC000261989301 145250869 /nfs/dbraw/zinc/25/08/69/145250869.db2.gz KCUFZGUCCKJNMC-LRDDRELGSA-N 1 0 323.462 2.375 10 0 DEAERO C[C@@H]1CN(CC[N@H+](C)Cc2cccc3c2NCC3)C[C@H](C)O1 ZINC000262000966 145252220 /nfs/dbraw/zinc/25/22/20/145252220.db2.gz UDLSKVXBOZKVIA-GASCZTMLSA-N 1 0 303.450 2.196 10 0 DEAERO Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCC2C[NH2+]C2)c1 ZINC000262003134 145252263 /nfs/dbraw/zinc/25/22/63/145252263.db2.gz HOCPQGBWWFCPHF-UHFFFAOYSA-N 1 0 322.408 2.484 10 0 DEAERO Fc1ccc(Cn2cc(CN(C3CC3)[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000262009290 145252796 /nfs/dbraw/zinc/25/27/96/145252796.db2.gz UVXLJRWWBQHDAZ-SFHVURJKSA-N 1 0 314.408 2.397 10 0 DEAERO C[C@@H](C(=O)Nc1ccnn1Cc1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000262028240 145254584 /nfs/dbraw/zinc/25/45/84/145254584.db2.gz DPDBWBXJVMIHRA-LLVKDONJSA-N 1 0 318.808 2.379 10 0 DEAERO Cc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)sc1C ZINC000262027532 145254728 /nfs/dbraw/zinc/25/47/28/145254728.db2.gz XECILDNLGXITGR-KFWWJZLASA-N 1 0 309.479 2.049 10 0 DEAERO COc1cc(CCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc(OC)c1 ZINC000262024121 145254730 /nfs/dbraw/zinc/25/47/30/145254730.db2.gz OXVWFWNHYAWXIX-INIZCTEOSA-N 1 0 320.433 2.222 10 0 DEAERO Cc1coc(-c2cccc(NC(=O)[C@H]([NH3+])C3CCOCC3)c2)n1 ZINC000262046447 145257256 /nfs/dbraw/zinc/25/72/56/145257256.db2.gz QPSCZNZYLNBESN-OAHLLOKOSA-N 1 0 315.373 2.342 10 0 DEAERO Fc1cccc(F)c1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000262053918 145257351 /nfs/dbraw/zinc/25/73/51/145257351.db2.gz ZXVGACKZLKXNCW-XKQJLSEDSA-N 1 0 310.388 2.254 10 0 DEAERO Cc1ccc(-n2ccnc2)c(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000262058147 145257559 /nfs/dbraw/zinc/25/75/59/145257559.db2.gz RLWAUJIRMIOPQC-MRXNPFEDSA-N 1 0 312.417 2.380 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ccccc1F ZINC000262059094 145258413 /nfs/dbraw/zinc/25/84/13/145258413.db2.gz QYJFCJVAVOQFMO-UHFFFAOYSA-N 1 0 322.405 2.018 10 0 DEAERO CC(C)N(C)c1cccc(NC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000262080508 145260035 /nfs/dbraw/zinc/26/00/35/145260035.db2.gz CJYKCRSFATYZRC-UHFFFAOYSA-N 1 0 305.422 2.225 10 0 DEAERO Cc1ccc(-c2cc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)[nH]n2)o1 ZINC000262086543 145260850 /nfs/dbraw/zinc/26/08/50/145260850.db2.gz UCTWATNLCCKQPH-AWEZNQCLSA-N 1 0 302.378 2.178 10 0 DEAERO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc3c2NCC3)cc1 ZINC000262109055 145262488 /nfs/dbraw/zinc/26/24/88/145262488.db2.gz JPWJXESHMXRCGX-UHFFFAOYSA-N 1 0 316.426 2.348 10 0 DEAERO CCCc1noc(CN2CC[NH2+]C[C@H]2c2ccccc2OC)n1 ZINC000262135906 145265573 /nfs/dbraw/zinc/26/55/73/145265573.db2.gz DMGUWAARZCAZOR-AWEZNQCLSA-N 1 0 316.405 2.177 10 0 DEAERO Cc1cccc(C)c1NC(=O)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262227337 145270369 /nfs/dbraw/zinc/27/03/69/145270369.db2.gz NKRRLZGAFFTEDO-KRWDZBQOSA-N 1 0 324.428 2.283 10 0 DEAERO COc1ccc(OCCN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000262263957 145272233 /nfs/dbraw/zinc/27/22/33/145272233.db2.gz RRLHCBVATUQRLQ-GOSISDBHSA-N 1 0 313.401 2.116 10 0 DEAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000262290781 145273384 /nfs/dbraw/zinc/27/33/84/145273384.db2.gz NENWVXPEZVORMD-JTQLQIEISA-N 1 0 316.323 2.391 10 0 DEAERO O=c1[nH]c2ccccc2cc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000262301116 145275200 /nfs/dbraw/zinc/27/52/00/145275200.db2.gz XMVXGTVLXGGUPT-GOSISDBHSA-N 1 0 320.396 2.482 10 0 DEAERO CC(C)Oc1ccc([C@H](C)NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000262328566 145277199 /nfs/dbraw/zinc/27/71/99/145277199.db2.gz SAKDKUJODMNXIA-ZDUSSCGKSA-N 1 0 306.406 2.159 10 0 DEAERO Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262334712 145277282 /nfs/dbraw/zinc/27/72/82/145277282.db2.gz SOVTTXRNAZVQBJ-CZUORRHYSA-N 1 0 324.380 2.205 10 0 DEAERO COc1ccc(Cc2noc([C@H]3CC[C@@H]([NH3+])C3)n2)cc1OC ZINC000262390213 145280568 /nfs/dbraw/zinc/28/05/68/145280568.db2.gz ZRUWZJQWCMSUOU-NWDGAFQWSA-N 1 0 303.362 2.272 10 0 DEAERO Cc1csc([C@H](C)NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000262430860 145283269 /nfs/dbraw/zinc/28/32/69/145283269.db2.gz FVFSPKVCQPMUNZ-CENBSLRLSA-N 1 0 323.462 2.161 10 0 DEAERO CNC(=O)c1cccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1C ZINC000262484272 145286773 /nfs/dbraw/zinc/28/67/73/145286773.db2.gz KETJAKPYGOCSRI-AWEZNQCLSA-N 1 0 303.406 2.071 10 0 DEAERO COc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000262486953 145287705 /nfs/dbraw/zinc/28/77/05/145287705.db2.gz KNNOQPOFKBTEGX-GRDNDAEWSA-N 1 0 304.390 2.166 10 0 DEAERO Cc1cnc([C@H](C)NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)s1 ZINC000262495041 145288139 /nfs/dbraw/zinc/28/81/39/145288139.db2.gz LGWOGNZSLRMLFV-XSUJLISDSA-N 1 0 323.462 2.161 10 0 DEAERO CC(=O)Nc1nc2ccc(NC(=O)[C@H](C)C3C[NH2+]C3)cc2s1 ZINC000262530137 145290803 /nfs/dbraw/zinc/29/08/03/145290803.db2.gz LXWFXSUECJRQRW-MRVPVSSYSA-N 1 0 318.402 2.049 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@H](C[NH3+])CC(C)C)nc21 ZINC000262595287 145295585 /nfs/dbraw/zinc/29/55/85/145295585.db2.gz HURYTLMFBLGPRK-ZDUSSCGKSA-N 1 0 302.422 2.294 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])nc21 ZINC000262618115 145296577 /nfs/dbraw/zinc/29/65/77/145296577.db2.gz IDOWCHIDMMFRNU-ZIAGYGMSSA-N 1 0 314.433 2.438 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@@](C)(C[NH3+])C(C)C)nc21 ZINC000262623790 145297183 /nfs/dbraw/zinc/29/71/83/145297183.db2.gz KUERKZXCUQREQS-KRWDZBQOSA-N 1 0 302.422 2.294 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1CC ZINC000262809420 145306128 /nfs/dbraw/zinc/30/61/28/145306128.db2.gz XRSJUKCGJJWBAG-MLGOLLRUSA-N 1 0 310.463 2.088 10 0 DEAERO CSc1ccc(C)c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263177704 145332790 /nfs/dbraw/zinc/33/27/90/145332790.db2.gz GIWFLSQZYJHATH-ZDUSSCGKSA-N 1 0 304.419 2.343 10 0 DEAERO Cc1ccccc1SCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263204724 145336147 /nfs/dbraw/zinc/33/61/47/145336147.db2.gz JOEISJNOCZYBOX-LBPRGKRZSA-N 1 0 304.419 2.246 10 0 DEAERO Cc1cc(CN2CC[NH+](CC3(O)CCC(C)CC3)CC2)no1 ZINC000304308788 145340028 /nfs/dbraw/zinc/34/00/28/145340028.db2.gz NBFKSUGCBPIHQD-UHFFFAOYSA-N 1 0 307.438 2.042 10 0 DEAERO NC(=O)CC1([NH2+]Cc2csc(Br)c2)CCC1 ZINC000309580164 145349132 /nfs/dbraw/zinc/34/91/32/145349132.db2.gz QBODMYVPYWBNRP-UHFFFAOYSA-N 1 0 303.225 2.398 10 0 DEAERO O=C(NC[C@H]1CCCSC1)N1CCC[C@H]1Cn1ccnc1 ZINC000332836553 145389696 /nfs/dbraw/zinc/38/96/96/145389696.db2.gz LQIYJZAAJLBSMS-KGLIPLIRSA-N 1 0 308.451 2.200 10 0 DEAERO O=C(NC1CC1)[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000332984177 145393040 /nfs/dbraw/zinc/39/30/40/145393040.db2.gz AITYDQLDJTZAAA-GVDBMIGSSA-N 1 0 300.402 2.163 10 0 DEAERO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000332992641 145393424 /nfs/dbraw/zinc/39/34/24/145393424.db2.gz LZGMAXZTOUKEDY-RRQGHBQHSA-N 1 0 302.418 2.157 10 0 DEAERO O[C@H](CC[NH2+]Cc1cn2cc(Cl)ccc2n1)C(F)(F)F ZINC000349317152 146367716 /nfs/dbraw/zinc/36/77/16/146367716.db2.gz PLLULTRMKQFNDL-SNVBAGLBSA-N 1 0 307.703 2.391 10 0 DEAERO COC(=O)[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000358823686 147213446 /nfs/dbraw/zinc/21/34/46/147213446.db2.gz WJRYOVFUSABZQL-KRWDZBQOSA-N 1 0 302.418 2.324 10 0 DEAERO CC[C@@H](Oc1ccccc1F)C(=O)NCCNc1cc[nH+]cc1 ZINC000359089215 147260436 /nfs/dbraw/zinc/26/04/36/147260436.db2.gz YHENPXSGCALLFX-OAHLLOKOSA-N 1 0 317.364 2.028 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(OC3CC3)cc2OC)C1 ZINC000359172357 147275138 /nfs/dbraw/zinc/27/51/38/147275138.db2.gz SDEXHSMOCNTXLY-CYBMUJFWSA-N 1 0 318.417 2.308 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000367685592 147782689 /nfs/dbraw/zinc/78/26/89/147782689.db2.gz HMMAKVRKXSHBFV-AIEDFZFUSA-N 1 0 310.438 2.114 10 0 DEAERO CN(C)c1ncc(C[NH+]2CCC(C3CCOCC3)CC2)cn1 ZINC000372397525 148202934 /nfs/dbraw/zinc/20/29/34/148202934.db2.gz DTDPWUMZMDEGJD-UHFFFAOYSA-N 1 0 304.438 2.181 10 0 DEAERO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCCC12CCC2 ZINC000373103194 148211003 /nfs/dbraw/zinc/21/10/03/148211003.db2.gz DLSXJOSETUUSEC-UHFFFAOYSA-N 1 0 316.401 2.455 10 0 DEAERO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CCO1 ZINC000374687443 148278625 /nfs/dbraw/zinc/27/86/25/148278625.db2.gz OBPYUPAJNFDSPU-NCOADZHNSA-N 1 0 311.466 2.347 10 0 DEAERO NC(=O)c1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375408114 148367848 /nfs/dbraw/zinc/36/78/48/148367848.db2.gz BDUWXKXVDINRHR-AWEZNQCLSA-N 1 0 312.373 2.035 10 0 DEAERO FC(F)(F)COCC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375444547 148373648 /nfs/dbraw/zinc/37/36/48/148373648.db2.gz LIGUIYYQJXGXNT-SNVBAGLBSA-N 1 0 305.300 2.315 10 0 DEAERO c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000378421430 148522237 /nfs/dbraw/zinc/52/22/37/148522237.db2.gz IYYXCRYIQMARSU-AEFFLSMTSA-N 1 0 317.433 2.110 10 0 DEAERO CC(C)[C@@H](O)C(C)(C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000127131187 401721872 /nfs/dbraw/zinc/72/18/72/401721872.db2.gz FTMZPHYXKMZFFY-IAGOWNOFSA-N 1 0 320.477 2.319 10 0 DEAERO CCc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000127248037 401725784 /nfs/dbraw/zinc/72/57/84/401725784.db2.gz AHZTWACZXRBSOI-KRWDZBQOSA-N 1 0 319.449 2.159 10 0 DEAERO CC[C@@]1(C)CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000074167177 401731665 /nfs/dbraw/zinc/73/16/65/401731665.db2.gz OIHRCVJKQNCVHI-RDJZCZTQSA-N 1 0 311.470 2.319 10 0 DEAERO C[C@H](C(=O)NCc1cccnc1N(C)C)[NH+]1CCCCCC1 ZINC000074218648 401733397 /nfs/dbraw/zinc/73/33/97/401733397.db2.gz KMQFDBJTGHFOEQ-CQSZACIVSA-N 1 0 304.438 2.028 10 0 DEAERO C[C@@H](C(=O)NCc1cccnc1N(C)C)[NH+]1CCCCCC1 ZINC000074218643 401733688 /nfs/dbraw/zinc/73/36/88/401733688.db2.gz KMQFDBJTGHFOEQ-AWEZNQCLSA-N 1 0 304.438 2.028 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1nc(C)ccc1OC ZINC000127476168 401737000 /nfs/dbraw/zinc/73/70/00/401737000.db2.gz HJQQCAOHQAVQRU-CYBMUJFWSA-N 1 0 306.410 2.347 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1nc(C)ccc1OC ZINC000127476414 401737187 /nfs/dbraw/zinc/73/71/87/401737187.db2.gz HJQQCAOHQAVQRU-ZDUSSCGKSA-N 1 0 306.410 2.347 10 0 DEAERO O=C(c1ncoc1[C@@H]1CCCO1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127547378 401739326 /nfs/dbraw/zinc/73/93/26/401739326.db2.gz OMKDODKLEJZVFA-KBPBESRZSA-N 1 0 319.405 2.084 10 0 DEAERO CCC[C@H](C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1)[NH+](C)C ZINC000126546549 401699052 /nfs/dbraw/zinc/69/90/52/401699052.db2.gz IGQUVRAVARLAIC-CZUORRHYSA-N 1 0 315.421 2.175 10 0 DEAERO CCCNC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111307739 401709725 /nfs/dbraw/zinc/70/97/25/401709725.db2.gz LLMXMJQAHUCVHF-UHFFFAOYSA-N 1 0 315.461 2.287 10 0 DEAERO CN(C)c1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccccc2)cc1 ZINC000008037926 401747739 /nfs/dbraw/zinc/74/77/39/401747739.db2.gz HMXYKSHTQGCZKP-MRXNPFEDSA-N 1 0 304.415 2.226 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(F)c1C ZINC000072606102 401711168 /nfs/dbraw/zinc/71/11/68/401711168.db2.gz MVZLRDREGYZPCR-CYBMUJFWSA-N 1 0 309.385 2.366 10 0 DEAERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000013608939 401801702 /nfs/dbraw/zinc/80/17/02/401801702.db2.gz BXVSCDNQMVRJHW-ZDUSSCGKSA-N 1 0 309.207 2.273 10 0 DEAERO CC(C)(C)NC(=O)COc1ccc(C[NH2+]CCCCCO)cc1 ZINC000013727052 401803924 /nfs/dbraw/zinc/80/39/24/401803924.db2.gz BZBGGUUIEQSVJA-UHFFFAOYSA-N 1 0 322.449 2.232 10 0 DEAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC1(C)COC1 ZINC000112724033 401756341 /nfs/dbraw/zinc/75/63/41/401756341.db2.gz MQCJFIVJXKCDGX-UHFFFAOYSA-N 1 0 319.449 2.316 10 0 DEAERO Cc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)s1 ZINC000075408822 401759433 /nfs/dbraw/zinc/75/94/33/401759433.db2.gz CXQRQYSQGBTAJN-AWEZNQCLSA-N 1 0 324.494 2.450 10 0 DEAERO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000112897503 401761129 /nfs/dbraw/zinc/76/11/29/401761129.db2.gz IWMRFMHSUHPNRU-ZYHUDNBSSA-N 1 0 314.788 2.409 10 0 DEAERO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCCN1CCOCC1 ZINC000075710821 401766560 /nfs/dbraw/zinc/76/65/60/401766560.db2.gz FPBXDEFFXQUPSJ-SJLPKXTDSA-N 1 0 304.434 2.171 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000113170027 401768699 /nfs/dbraw/zinc/76/86/99/401768699.db2.gz GQSHUAYMZSOPRD-OAHLLOKOSA-N 1 0 317.364 2.186 10 0 DEAERO Cc1csc(N2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)n1 ZINC000075826984 401769646 /nfs/dbraw/zinc/76/96/46/401769646.db2.gz ZYCMHRRBTXBFFM-KRWDZBQOSA-N 1 0 317.458 2.481 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(C)(C)C)nn1C ZINC000113224377 401770729 /nfs/dbraw/zinc/77/07/29/401770729.db2.gz KORLIDCZRCFTLX-QWHCGFSZSA-N 1 0 304.438 2.026 10 0 DEAERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)nn1-c1ccccc1 ZINC000113225946 401770812 /nfs/dbraw/zinc/77/08/12/401770812.db2.gz GFKBTVVWXFKVNK-DOTOQJQBSA-N 1 0 324.428 2.489 10 0 DEAERO Cc1csc(=O)n1CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128311840 401771359 /nfs/dbraw/zinc/77/13/59/401771359.db2.gz MKUCQPABUMXXPU-KBPBESRZSA-N 1 0 306.435 2.188 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOCc1ccccc1 ZINC000113229580 401771611 /nfs/dbraw/zinc/77/16/11/401771611.db2.gz MJPVXRNUGSVZCY-DOTOQJQBSA-N 1 0 302.418 2.288 10 0 DEAERO CCc1ccc(NC(=O)CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113269391 401773592 /nfs/dbraw/zinc/77/35/92/401773592.db2.gz MOKIBGGYFOAKGU-WMLDXEAASA-N 1 0 301.434 2.356 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCCc2ccccc21 ZINC000113270538 401773861 /nfs/dbraw/zinc/77/38/61/401773861.db2.gz DRTUISIAWKZTCJ-NVXWUHKLSA-N 1 0 313.445 2.134 10 0 DEAERO C[C@H](NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1cccs1 ZINC000113270528 401773870 /nfs/dbraw/zinc/77/38/70/401773870.db2.gz NFHXWKSWFBGAHO-MELADBBJSA-N 1 0 307.463 2.094 10 0 DEAERO COc1ccccc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113367358 401777186 /nfs/dbraw/zinc/77/71/86/401777186.db2.gz DICYWRHMAKCFAT-UKRRQHHQSA-N 1 0 303.406 2.073 10 0 DEAERO CC(=O)N(c1nc(CN2CCC([NH+](C)C)CC2)cs1)C1CC1 ZINC000114801876 401810375 /nfs/dbraw/zinc/81/03/75/401810375.db2.gz ZINKBCTYLGGSDH-UHFFFAOYSA-N 1 0 322.478 2.184 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccnc3)C2)cn1 ZINC000128516018 401780775 /nfs/dbraw/zinc/78/07/75/401780775.db2.gz AMIOPNNPADJNCC-CQSZACIVSA-N 1 0 308.389 2.195 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](Cc3cn(C)nc3-c3ccncc3)C2)cn1 ZINC000128521699 401780782 /nfs/dbraw/zinc/78/07/82/401780782.db2.gz RREVWFPRSUTWRY-OAHLLOKOSA-N 1 0 322.416 2.205 10 0 DEAERO CCc1nc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cs1 ZINC000113619249 401783686 /nfs/dbraw/zinc/78/36/86/401783686.db2.gz GSTBFNZSPKDWKB-AAEUAGOBSA-N 1 0 308.451 2.084 10 0 DEAERO CCC[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000076145513 401785096 /nfs/dbraw/zinc/78/50/96/401785096.db2.gz ARUHFQGDSWHZMM-KBXCAEBGSA-N 1 0 323.481 2.014 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000076190858 401786131 /nfs/dbraw/zinc/78/61/31/401786131.db2.gz BPAAUJKEBKVDPW-CYBMUJFWSA-N 1 0 314.426 2.287 10 0 DEAERO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC2(C)COC2)C1 ZINC000114028826 401789218 /nfs/dbraw/zinc/78/92/18/401789218.db2.gz CUDPACILLSHZPE-HOTGVXAUSA-N 1 0 323.481 2.319 10 0 DEAERO C[NH+]1CCC(NC(=O)N2CCC[C@H](c3nccs3)C2)CC1 ZINC000114819218 401811213 /nfs/dbraw/zinc/81/12/13/401811213.db2.gz ZEQRPJUYDHBWCH-LBPRGKRZSA-N 1 0 308.451 2.126 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000076487119 401796729 /nfs/dbraw/zinc/79/67/29/401796729.db2.gz YJDFNTMJRXGRSU-CZUORRHYSA-N 1 0 318.417 2.276 10 0 DEAERO CCn1cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000115417020 401826972 /nfs/dbraw/zinc/82/69/72/401826972.db2.gz AJVYPTNSSOWSHJ-UHFFFAOYSA-N 1 0 304.369 2.034 10 0 DEAERO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)[C@@H](C)CO ZINC000077764160 401829710 /nfs/dbraw/zinc/82/97/10/401829710.db2.gz OOVYPDPWAVRLGI-GJZGRUSLSA-N 1 0 321.465 2.343 10 0 DEAERO CN1C[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)CCC1=O ZINC000077900190 401835872 /nfs/dbraw/zinc/83/58/72/401835872.db2.gz NYPSIIOCXGGIAO-LLVKDONJSA-N 1 0 302.296 2.296 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000130639778 401836672 /nfs/dbraw/zinc/83/66/72/401836672.db2.gz MUDKFMGYFUJSEO-RCCFBDPRSA-N 1 0 313.445 2.500 10 0 DEAERO CSCCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000116251437 401846936 /nfs/dbraw/zinc/84/69/36/401846936.db2.gz KDDOQETWPMSTAS-HIFRSBDPSA-N 1 0 307.463 2.161 10 0 DEAERO CC(C)OCCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000116249783 401847249 /nfs/dbraw/zinc/84/72/49/401847249.db2.gz LVDFFSYWCPCCLM-WBVHZDCISA-N 1 0 319.449 2.223 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](CCC(=O)N3CCc4ccccc43)C2)cn1 ZINC000116316037 401849524 /nfs/dbraw/zinc/84/95/24/401849524.db2.gz VLKNNDFBFZPMEV-INIZCTEOSA-N 1 0 324.428 2.189 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)CCc1ccccc1 ZINC000078395884 401849729 /nfs/dbraw/zinc/84/97/29/401849729.db2.gz XHMLIGKRYOOQHE-HNNXBMFYSA-N 1 0 310.463 2.023 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](CC(=O)N3CCCc4ccccc43)C2)cn1 ZINC000116323766 401850067 /nfs/dbraw/zinc/85/00/67/401850067.db2.gz BZXKAURMXRGIDP-INIZCTEOSA-N 1 0 324.428 2.189 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000028878397 401853216 /nfs/dbraw/zinc/85/32/16/401853216.db2.gz JNDMSXHQRQBEOU-RQJHMYQMSA-N 1 0 304.177 2.227 10 0 DEAERO COc1cccc(C(=O)NCCC[NH+]2CCC(C)CC2)c1O ZINC000078566543 401856164 /nfs/dbraw/zinc/85/61/64/401856164.db2.gz OESYEBFYWPRAEM-UHFFFAOYSA-N 1 0 306.406 2.253 10 0 DEAERO Cc1c2cccc(C)c2oc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116786916 401859331 /nfs/dbraw/zinc/85/93/31/401859331.db2.gz XAPLASPUFZSOFK-AWEZNQCLSA-N 1 0 316.401 2.452 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)N(C)c1ccccc1 ZINC000135117900 401927420 /nfs/dbraw/zinc/92/74/20/401927420.db2.gz UUUATMSJTHADOS-KRWDZBQOSA-N 1 0 303.450 2.456 10 0 DEAERO C[C@H]1C[C@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)CCN1C ZINC000135123554 401927937 /nfs/dbraw/zinc/92/79/37/401927937.db2.gz RUZAHURDSDOXES-DOTOQJQBSA-N 1 0 303.450 2.454 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)CCCSC)C[C@H]1CC ZINC000135173220 401929635 /nfs/dbraw/zinc/92/96/35/401929635.db2.gz APCNTGWYBDRDTK-CQSZACIVSA-N 1 0 302.484 2.089 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000119198615 401932490 /nfs/dbraw/zinc/93/24/90/401932490.db2.gz GWARQBKJCWWWMF-HZPDHXFCSA-N 1 0 309.454 2.119 10 0 DEAERO CC[C@@H]1CN(C(=O)Cc2ccccc2C)CC[N@@H+]1CCOC ZINC000117305491 401873947 /nfs/dbraw/zinc/87/39/47/401873947.db2.gz PPPPRBWBCJEMPU-QGZVFWFLSA-N 1 0 304.434 2.107 10 0 DEAERO CN(C)C(=[NH2+])c1ncc(Br)cc1Br ZINC000133378941 401883619 /nfs/dbraw/zinc/88/36/19/401883619.db2.gz OZIPFWSDVCDSIW-UHFFFAOYSA-N 1 0 306.989 2.494 10 0 DEAERO CCC[C@@H](C(=O)Nc1cccc(-n2cnnc2C)c1)[NH+](C)C ZINC000133454016 401887037 /nfs/dbraw/zinc/88/70/37/401887037.db2.gz BBNADTOGIPHBNO-HNNXBMFYSA-N 1 0 301.394 2.245 10 0 DEAERO COC(=O)c1csc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000119240883 401935199 /nfs/dbraw/zinc/93/51/99/401935199.db2.gz MIYHCHDSEIHRBY-DLOVCJGASA-N 1 0 308.403 2.394 10 0 DEAERO Cc1cnn(CCNC(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000118079447 401890567 /nfs/dbraw/zinc/89/05/67/401890567.db2.gz RVFQEGRNNDCJNK-UHFFFAOYSA-N 1 0 321.469 2.147 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC(C)(C)c2cccc(F)c2)C1 ZINC000118585467 401901341 /nfs/dbraw/zinc/90/13/41/401901341.db2.gz VZIIKBIMFMSVBE-OAHLLOKOSA-N 1 0 307.413 2.449 10 0 DEAERO [NH3+]C1(CNS(=O)(=O)Cc2ccc(F)cc2)CCCCCC1 ZINC000036266803 401903777 /nfs/dbraw/zinc/90/37/77/401903777.db2.gz KHLAMDVVKNSFFT-UHFFFAOYSA-N 1 0 314.426 2.297 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)s1 ZINC000036266782 401903975 /nfs/dbraw/zinc/90/39/75/401903975.db2.gz ZFDWZGXCRWTQLY-UHFFFAOYSA-N 1 0 302.465 2.387 10 0 DEAERO CC[NH+](CC)CCNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000134606075 401908451 /nfs/dbraw/zinc/90/84/51/401908451.db2.gz XEKYULWLRUZLOZ-ZDUSSCGKSA-N 1 0 311.451 2.173 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cnn(-c3ccccc3)c2)C1 ZINC000118964134 401915148 /nfs/dbraw/zinc/91/51/48/401915148.db2.gz KOWRMPRVMBUABH-AWEZNQCLSA-N 1 0 313.405 2.478 10 0 DEAERO CC(C)CC[C@@](C)(O)CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085423354 401915748 /nfs/dbraw/zinc/91/57/48/401915748.db2.gz MQBUKTOVVHEMAK-WMLDXEAASA-N 1 0 315.502 2.449 10 0 DEAERO COc1cccc(CCC[N@@H+]2CCO[C@H](Cn3cccn3)C2)c1 ZINC000119257036 401936728 /nfs/dbraw/zinc/93/67/28/401936728.db2.gz HFXLCGKCHWJEDG-SFHVURJKSA-N 1 0 315.417 2.225 10 0 DEAERO Brc1cc(C[NH2+]Cc2cn[nH]c2)cc2c1OCO2 ZINC000038006111 401920240 /nfs/dbraw/zinc/92/02/40/401920240.db2.gz CHBZDZJULCHHRK-UHFFFAOYSA-N 1 0 310.151 2.191 10 0 DEAERO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)CS(C)(=O)=O)cc1 ZINC000089633105 401954936 /nfs/dbraw/zinc/95/49/36/401954936.db2.gz RHTMOVXOFDGJAB-OLZOCXBDSA-N 1 0 321.446 2.264 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000136011599 401957782 /nfs/dbraw/zinc/95/77/82/401957782.db2.gz CRTULYPVQFNUNX-KBPBESRZSA-N 1 0 323.462 2.315 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000046860854 401974080 /nfs/dbraw/zinc/97/40/80/401974080.db2.gz BGEFMBHPDRVNAT-DZGCQCFKSA-N 1 0 315.417 2.103 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](CCO)C1CCCCC1 ZINC000136814709 401974208 /nfs/dbraw/zinc/97/42/08/401974208.db2.gz NIDYMUNFRALEGT-ZBFHGGJFSA-N 1 0 313.486 2.347 10 0 DEAERO CC(C)Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCNC2=O)cc1 ZINC000120303374 401985536 /nfs/dbraw/zinc/98/55/36/401985536.db2.gz HDUZGTOAJRAPNP-ZDUSSCGKSA-N 1 0 303.406 2.088 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(C)nc1-c1ccccc1 ZINC000089243236 401940222 /nfs/dbraw/zinc/94/02/22/401940222.db2.gz UOQOAMLEGYOXGT-GOEBONIOSA-N 1 0 324.428 2.396 10 0 DEAERO CCc1nc(CCNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cs1 ZINC000119310348 401940782 /nfs/dbraw/zinc/94/07/82/401940782.db2.gz KIJLKQLUAXGZJX-GXTWGEPZSA-N 1 0 324.494 2.276 10 0 DEAERO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](CCn2cccn2)C1 ZINC000135457607 401941015 /nfs/dbraw/zinc/94/10/15/401941015.db2.gz ZPXPPFXRUBPYDG-SJORKVTESA-N 1 0 313.401 2.162 10 0 DEAERO C[C@@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)C(C)(C)C ZINC000135605458 401947613 /nfs/dbraw/zinc/94/76/13/401947613.db2.gz REIPDNLAPGZKJA-CYBMUJFWSA-N 1 0 322.453 2.256 10 0 DEAERO CCC(CC)C[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000093078219 402011021 /nfs/dbraw/zinc/01/10/21/402011021.db2.gz XCZLXSMNIHDYLI-HNNXBMFYSA-N 1 0 309.498 2.488 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc3nccnc3c2)Cc2ccccc2C1 ZINC000151092170 402015271 /nfs/dbraw/zinc/01/52/71/402015271.db2.gz ZDVZKSPAEWFDKK-UHFFFAOYSA-N 1 0 304.353 2.065 10 0 DEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCC(F)(F)F)C12CCCC2 ZINC000121134602 402017180 /nfs/dbraw/zinc/01/71/80/402017180.db2.gz XKPKYELSJBJGEG-VXGBXAGGSA-N 1 0 322.371 2.335 10 0 DEAERO CCN(CC)C(=O)[C@@H](C)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000151247934 402025726 /nfs/dbraw/zinc/02/57/26/402025726.db2.gz XZDZETCJAOXBCV-ZIAGYGMSSA-N 1 0 315.421 2.175 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2c(C)nn(CC(C)C)c2C)C1 ZINC000121368753 402031721 /nfs/dbraw/zinc/03/17/21/402031721.db2.gz UIKNSKXVLVUYDG-INIZCTEOSA-N 1 0 320.481 2.156 10 0 DEAERO CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000051283898 402033528 /nfs/dbraw/zinc/03/35/28/402033528.db2.gz JMFOYDOGYNQGNZ-CQSZACIVSA-N 1 0 306.406 2.367 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC000151407708 402034181 /nfs/dbraw/zinc/03/41/81/402034181.db2.gz FNJAWZGVDVPHAX-WBVHZDCISA-N 1 0 323.481 2.461 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000052498454 402042971 /nfs/dbraw/zinc/04/29/71/402042971.db2.gz HLGHFOQXOLETLK-HNNXBMFYSA-N 1 0 314.433 2.494 10 0 DEAERO C[C@H](CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000151554789 402043283 /nfs/dbraw/zinc/04/32/83/402043283.db2.gz IWOMSPRAWXASMA-NUJGCVRESA-N 1 0 323.481 2.055 10 0 DEAERO CCc1nccn1[C@H]1CCCN(C(=O)NC2CCC(O)CC2)C1 ZINC000151808639 402057867 /nfs/dbraw/zinc/05/78/67/402057867.db2.gz WVTSGRNKNNCPSD-SLTAFYQDSA-N 1 0 320.437 2.096 10 0 DEAERO CCN(C)C(=O)CC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000091980340 401999898 /nfs/dbraw/zinc/99/98/98/401999898.db2.gz 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ZINC000123315184 402121615 /nfs/dbraw/zinc/12/16/15/402121615.db2.gz YSMHPXLGJFBCAQ-HOTGVXAUSA-N 1 0 322.449 2.083 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)N2CCCc3ccccc32)CC[N@@H+]1C ZINC000123022481 402106541 /nfs/dbraw/zinc/10/65/41/402106541.db2.gz UQKAEYMQFBIYOZ-NVXWUHKLSA-N 1 0 315.461 2.380 10 0 DEAERO COC(=O)c1cccc(OCCN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061040706 402106826 /nfs/dbraw/zinc/10/68/26/402106826.db2.gz TUZQTKOMSBLNIF-UHFFFAOYSA-N 1 0 318.417 2.022 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccncc2Br)C1 ZINC000152821954 402111023 /nfs/dbraw/zinc/11/10/23/402111023.db2.gz JWKLSRVFQLLVDR-JTQLQIEISA-N 1 0 312.211 2.058 10 0 DEAERO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc2ccccc21 ZINC000123331246 402122157 /nfs/dbraw/zinc/12/21/57/402122157.db2.gz HNDDZBYREPEGHW-YIONKMFJSA-N 1 0 316.426 2.401 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)CCc2nccs2)[C@@H](C)C1 ZINC000123243619 402117775 /nfs/dbraw/zinc/11/77/75/402117775.db2.gz CBNXIDIDQPWHPC-STQMWFEESA-N 1 0 310.467 2.056 10 0 DEAERO COC(=O)c1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000054306429 402065788 /nfs/dbraw/zinc/06/57/88/402065788.db2.gz XXTSZHXMDVBKAW-JTQLQIEISA-N 1 0 310.781 2.455 10 0 DEAERO CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1c(C)noc1C ZINC000123370515 402124674 /nfs/dbraw/zinc/12/46/74/402124674.db2.gz LXFQHULINMYVCL-HUUCEWRRSA-N 1 0 318.421 2.398 10 0 DEAERO OCC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153243432 402134882 /nfs/dbraw/zinc/13/48/82/402134882.db2.gz RHRRKYADLBGIAD-UHFFFAOYSA-N 1 0 303.233 2.146 10 0 DEAERO C[C@H](C(=O)NC1CCCC1)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000066532703 402135662 /nfs/dbraw/zinc/13/56/62/402135662.db2.gz DMLITKGNMOXBCD-NVXWUHKLSA-N 1 0 305.466 2.160 10 0 DEAERO CC(=O)c1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123610298 402137925 /nfs/dbraw/zinc/13/79/25/402137925.db2.gz CINBLVGYJLCTAE-UKRRQHHQSA-N 1 0 317.433 2.242 10 0 DEAERO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123727083 402143416 /nfs/dbraw/zinc/14/34/16/402143416.db2.gz SBLJJZQPXMPCOL-HUUCEWRRSA-N 1 0 318.465 2.122 10 0 DEAERO CCC[C@H](C(=O)OCC)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000153421853 402144015 /nfs/dbraw/zinc/14/40/15/402144015.db2.gz RVHPZJDCHSITDR-CHWSQXEVSA-N 1 0 306.397 2.380 10 0 DEAERO C/C=C\c1ccc(OCC(=O)NCC[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000566237081 292220327 /nfs/dbraw/zinc/22/03/27/292220327.db2.gz JZNSZGUBCXTEEL-JZIMQPMSSA-N 1 0 318.417 2.223 10 0 DEAERO COCCCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067005048 402149670 /nfs/dbraw/zinc/14/96/70/402149670.db2.gz HUZQZLHAYQDWKT-QGZVFWFLSA-N 1 0 319.449 2.377 10 0 DEAERO COC(=O)c1cccc(OCC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000123911255 402153526 /nfs/dbraw/zinc/15/35/26/402153526.db2.gz HFYWTVHHOQBXLQ-ZBFHGGJFSA-N 1 0 320.433 2.267 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cccc2ccccc21 ZINC000123962101 402156590 /nfs/dbraw/zinc/15/65/90/402156590.db2.gz QTGDLDBRTBPBIG-JSGCOSHPSA-N 1 0 304.415 2.340 10 0 DEAERO C[NH+](C)C1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000103154436 402180034 /nfs/dbraw/zinc/18/00/34/402180034.db2.gz BIRXYTLTDXTUQU-UHFFFAOYSA-N 1 0 320.817 2.194 10 0 DEAERO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000124485222 402182146 /nfs/dbraw/zinc/18/21/46/402182146.db2.gz QGUJMIWUZIRVQU-MRXNPFEDSA-N 1 0 320.408 2.205 10 0 DEAERO CCC(CC)(CO)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000154015672 402187046 /nfs/dbraw/zinc/18/70/46/402187046.db2.gz KRRDWDOZBROIMI-MRXNPFEDSA-N 1 0 306.450 2.074 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCOc1ccc(C=O)cc1 ZINC000068279503 402190236 /nfs/dbraw/zinc/19/02/36/402190236.db2.gz NURFOIZTULPMEY-HNNXBMFYSA-N 1 0 318.417 2.259 10 0 DEAERO O=C(Nc1ccc2n[nH]cc2c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154150614 402195276 /nfs/dbraw/zinc/19/52/76/402195276.db2.gz LQIYLJAABXBONL-MRXNPFEDSA-N 1 0 314.389 2.145 10 0 DEAERO O=C(CN1CCC([NH+]2CCCC2)CC1)Nc1ccc(F)c(F)c1 ZINC000104079999 402197936 /nfs/dbraw/zinc/19/79/36/402197936.db2.gz WFYCINDHILUSJL-UHFFFAOYSA-N 1 0 323.387 2.464 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c[nH]c2ncccc12 ZINC000124831592 402199222 /nfs/dbraw/zinc/19/92/22/402199222.db2.gz FWNJPHVWLCHBNA-LSDHHAIUSA-N 1 0 312.417 2.191 10 0 DEAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCc1nc(C(C)(C)C)no1 ZINC000153732039 402166494 /nfs/dbraw/zinc/16/64/94/402166494.db2.gz ULQGZDOCGDLSEQ-ZDUSSCGKSA-N 1 0 322.453 2.098 10 0 DEAERO CC[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCN1CC(F)F ZINC000153763802 402169210 /nfs/dbraw/zinc/16/92/10/402169210.db2.gz MINVEHSBQDCXBM-HZPDHXFCSA-N 1 0 312.404 2.251 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCCO1)c1ccco1 ZINC000102905092 402174564 /nfs/dbraw/zinc/17/45/64/402174564.db2.gz PMIBZTPETDMNQZ-HUUCEWRRSA-N 1 0 323.437 2.483 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2c3ccccc3NC2=O)CC[N@@H+]1C ZINC000124327061 402174949 /nfs/dbraw/zinc/17/49/49/402174949.db2.gz XTDORGBBFRFBGZ-UMVBOHGHSA-N 1 0 315.417 2.054 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2c3ccccc3NC2=O)CC[N@@H+]1C ZINC000124327493 402175111 /nfs/dbraw/zinc/17/51/11/402175111.db2.gz XTDORGBBFRFBGZ-VNHYZAJKSA-N 1 0 315.417 2.054 10 0 DEAERO Cc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1Cl ZINC000103070327 402177710 /nfs/dbraw/zinc/17/77/10/402177710.db2.gz SLANXMDRTNFMJN-UHFFFAOYSA-N 1 0 310.825 2.491 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(N2CCOC2=O)c1 ZINC000154571046 402218628 /nfs/dbraw/zinc/21/86/28/402218628.db2.gz CDNOYQJJMAIFPX-CJNGLKHVSA-N 1 0 303.406 2.388 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)c1ccccc1 ZINC000106902522 402221217 /nfs/dbraw/zinc/22/12/17/402221217.db2.gz QLHATDOAICQWQB-ZWKOTPCHSA-N 1 0 312.413 2.009 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCOC(C)(C)C2)CC1 ZINC000125278809 402223645 /nfs/dbraw/zinc/22/36/45/402223645.db2.gz AGUDIDHRYWAKSL-OAHLLOKOSA-N 1 0 311.470 2.365 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000107346774 402230752 /nfs/dbraw/zinc/23/07/52/402230752.db2.gz QDZRRPSLCJEYQF-GJZGRUSLSA-N 1 0 311.470 2.001 10 0 DEAERO CC1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000154924900 402238559 /nfs/dbraw/zinc/23/85/59/402238559.db2.gz UDMJAAYNSWMKLI-UHFFFAOYSA-N 1 0 315.417 2.251 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000154933876 402238963 /nfs/dbraw/zinc/23/89/63/402238963.db2.gz GHWOSOVSJPHTGE-OAHLLOKOSA-N 1 0 313.405 2.028 10 0 DEAERO COCCCCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107841430 402241652 /nfs/dbraw/zinc/24/16/52/402241652.db2.gz YLZNSTJOOZXHRV-INIZCTEOSA-N 1 0 311.470 2.463 10 0 DEAERO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)nn1-c1ccccc1 ZINC000108333962 402250955 /nfs/dbraw/zinc/25/09/55/402250955.db2.gz FXYYNYYOSTUCCE-HNNXBMFYSA-N 1 0 312.417 2.252 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)c2c(O)cccc2O)ccc1F ZINC000125799429 402251248 /nfs/dbraw/zinc/25/12/48/402251248.db2.gz TZTGLAUJKCSAHL-UHFFFAOYSA-N 1 0 318.348 2.229 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc(N2CCCC2=O)c1 ZINC000125800444 402251338 /nfs/dbraw/zinc/25/13/38/402251338.db2.gz HZIONBJOOPKSIJ-ZDUSSCGKSA-N 1 0 317.433 2.379 10 0 DEAERO CCC[C@@H](CC)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000108567070 402256895 /nfs/dbraw/zinc/25/68/95/402256895.db2.gz PBLLKDAZEMMXEI-SJORKVTESA-N 1 0 324.513 2.377 10 0 DEAERO CCC[C@@H](CC)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000108567075 402257528 /nfs/dbraw/zinc/25/75/28/402257528.db2.gz PBLLKDAZEMMXEI-IAGOWNOFSA-N 1 0 324.513 2.377 10 0 DEAERO COCc1cc(N2CCC[NH2+]CC2)nc(-c2ccc(C)cc2)n1 ZINC000070451917 402260638 /nfs/dbraw/zinc/26/06/38/402260638.db2.gz XHNDZPGDBYSLDK-UHFFFAOYSA-N 1 0 312.417 2.398 10 0 DEAERO COc1ccccc1-c1cc2c(N3CCC[C@@H]([NH3+])C3)nccn2n1 ZINC000070459281 402261533 /nfs/dbraw/zinc/26/15/33/402261533.db2.gz VETDZUJUQTVAEW-CYBMUJFWSA-N 1 0 323.400 2.332 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1cccc(F)c1 ZINC000068880544 402207932 /nfs/dbraw/zinc/20/79/32/402207932.db2.gz SWEDSBYUUYSVNH-ZDUSSCGKSA-N 1 0 314.426 2.120 10 0 DEAERO CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886852 402210603 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C[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)C1CCCC1 ZINC000184654786 402288894 /nfs/dbraw/zinc/28/88/94/402288894.db2.gz AANRQTFPOOAMCT-CYBMUJFWSA-N 1 0 317.433 2.495 10 0 DEAERO CC[C@@H](C(=O)NCc1nc2ccccc2n1C1CC1)[NH+](C)C ZINC000185105285 402324939 /nfs/dbraw/zinc/32/49/39/402324939.db2.gz OGEDNRBANGIWTO-AWEZNQCLSA-N 1 0 300.406 2.328 10 0 DEAERO CC(C)C[C@@H](C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000184695649 402292645 /nfs/dbraw/zinc/29/26/45/402292645.db2.gz XMYKJHLHYUTRFQ-OAHLLOKOSA-N 1 0 318.465 2.132 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000176243735 402294243 /nfs/dbraw/zinc/29/42/43/402294243.db2.gz PAPNZBCUBUQTIH-CYBMUJFWSA-N 1 0 305.378 2.363 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)Cc1ccc(O)cc1 ZINC000176263838 402295096 /nfs/dbraw/zinc/29/50/96/402295096.db2.gz NCAMHGFEFYSKTJ-GOEBONIOSA-N 1 0 319.449 2.449 10 0 DEAERO Cc1oc2ccccc2c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000184727817 402295304 /nfs/dbraw/zinc/29/53/04/402295304.db2.gz 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O=C(Cc1ccc(-n2cccn2)cc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186511183 402437814 /nfs/dbraw/zinc/43/78/14/402437814.db2.gz BLHCVRGJUGURGO-INIZCTEOSA-N 1 0 324.428 2.158 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cc(F)ccc1OC ZINC000186569026 402442601 /nfs/dbraw/zinc/44/26/01/402442601.db2.gz BRULDXVFWOLIER-GFCCVEGCSA-N 1 0 311.401 2.364 10 0 DEAERO [NH3+][C@@H](CC(=O)N1CCn2c3ccccc3nc21)c1ccccc1 ZINC000163289908 402446263 /nfs/dbraw/zinc/44/62/63/402446263.db2.gz ZFDGSTBRZNUVCP-AWEZNQCLSA-N 1 0 306.369 2.473 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nn1cnc2ccccc21 ZINC000177308828 402389756 /nfs/dbraw/zinc/38/97/56/402389756.db2.gz OMZMDZRGLGDWDB-ZDUSSCGKSA-N 1 0 301.394 2.116 10 0 DEAERO CCc1noc(CC)c1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237071114 402393761 /nfs/dbraw/zinc/39/37/61/402393761.db2.gz JDBQQSMUTGETGG-FUNVUKJBSA-N 1 0 305.422 2.083 10 0 DEAERO CC(C)[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)[NH+]1CCCCC1 ZINC000178561834 402511878 /nfs/dbraw/zinc/51/18/78/402511878.db2.gz 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C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc([C@H]2CCCO2)n1 ZINC000245881137 402494105 /nfs/dbraw/zinc/49/41/05/402494105.db2.gz IARLFILKQYDICR-MBNYWOFBSA-N 1 0 321.446 2.303 10 0 DEAERO O=C(NCCCc1ccccn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000178416846 402495795 /nfs/dbraw/zinc/49/57/95/402495795.db2.gz AEDNLZJEIGPBGB-MRXNPFEDSA-N 1 0 316.449 2.142 10 0 DEAERO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245958299 402500765 /nfs/dbraw/zinc/50/07/65/402500765.db2.gz XRGQRXGACPELQJ-BFHYXJOUSA-N 1 0 315.479 2.137 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000187571786 402504938 /nfs/dbraw/zinc/50/49/38/402504938.db2.gz RMSVAXLCNYOTEU-STQMWFEESA-N 1 0 307.438 2.456 10 0 DEAERO C/C(=C\C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000178517473 402506628 /nfs/dbraw/zinc/50/66/28/402506628.db2.gz SDNLWENAENUTPF-VMEIHUARSA-N 1 0 302.418 2.053 10 0 DEAERO CS[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000178517923 402506878 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CC[C@@H]1CN(Cc2cn3c(cccc3C)n2)CC[N@@H+]1CCOC ZINC000170940367 402543886 /nfs/dbraw/zinc/54/38/86/402543886.db2.gz MBVKWOOODPQEJT-QGZVFWFLSA-N 1 0 316.449 2.185 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC000246947160 402550477 /nfs/dbraw/zinc/55/04/77/402550477.db2.gz MAJDSDCWGOGGCN-ZUZCIYMTSA-N 1 0 314.351 2.491 10 0 DEAERO CC[C@H]1CN(CCc2ccc(F)c(F)c2)CC[N@@H+]1C[C@H](C)O ZINC000246937599 402550487 /nfs/dbraw/zinc/55/04/87/402550487.db2.gz WSRZAQCFVOWOJE-ZFWWWQNUSA-N 1 0 312.404 2.284 10 0 DEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000246944996 402550520 /nfs/dbraw/zinc/55/05/20/402550520.db2.gz HXEZMZLVPYHCEJ-JKIFEVAISA-N 1 0 324.490 2.469 10 0 DEAERO COc1ccc(C(F)(F)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000178886987 402550864 /nfs/dbraw/zinc/55/08/64/402550864.db2.gz UBZCASJOAFIASR-ZDUSSCGKSA-N 1 0 310.344 2.094 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cncc(Br)c1 ZINC000246961053 402551131 /nfs/dbraw/zinc/55/11/31/402551131.db2.gz DJSIFRIPTUMFCY-GWCFXTLKSA-N 1 0 324.222 2.153 10 0 DEAERO COC[C@H](C)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000189698266 402553506 /nfs/dbraw/zinc/55/35/06/402553506.db2.gz YTDUEKFWDFINIJ-CABCVRRESA-N 1 0 305.422 2.323 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2N2CCCC2)C1 ZINC000171071987 402554683 /nfs/dbraw/zinc/55/46/83/402554683.db2.gz IVFCMCAKWZXVIY-CQSZACIVSA-N 1 0 302.422 2.455 10 0 DEAERO CC[C@@H]1CN(C(=O)/C=C/c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000247043949 402554828 /nfs/dbraw/zinc/55/48/28/402554828.db2.gz YCOVIZCDNQCPBW-ZMMKQQPBSA-N 1 0 302.418 2.003 10 0 DEAERO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1COc2ccccc21 ZINC000189752051 402556753 /nfs/dbraw/zinc/55/67/53/402556753.db2.gz JDYYWDMKJFMTIB-CQSZACIVSA-N 1 0 303.406 2.246 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1cccc(Cl)c1 ZINC000247124258 402557669 /nfs/dbraw/zinc/55/76/69/402557669.db2.gz JEKCWZSWQFOVBS-CJNGLKHVSA-N 1 0 321.852 2.125 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(CCOc2cccc(Cl)c2)C[C@H]1C ZINC000247161822 402558943 /nfs/dbraw/zinc/55/89/43/402558943.db2.gz MJNJKQRTEWQQFM-KGLIPLIRSA-N 1 0 312.841 2.106 10 0 DEAERO CC[NH+](CC)CC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189798033 402559331 /nfs/dbraw/zinc/55/93/31/402559331.db2.gz DYBSLZJOZHTOEG-UHFFFAOYSA-N 1 0 302.418 2.423 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000171176412 402563613 /nfs/dbraw/zinc/56/36/13/402563613.db2.gz JHPUVOONJMXWNI-CQSZACIVSA-N 1 0 323.437 2.484 10 0 DEAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189893230 402564896 /nfs/dbraw/zinc/56/48/96/402564896.db2.gz BYLQKASTBASOEK-KGLIPLIRSA-N 1 0 300.406 2.438 10 0 DEAERO OCCC1(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000189997672 402568834 /nfs/dbraw/zinc/56/88/34/402568834.db2.gz QTCBQOIJAWIJNL-QGZVFWFLSA-N 1 0 305.418 2.497 10 0 DEAERO C[C@H](NC(=O)[C@H](C)[N@H+](C)CC1(CO)CC1)c1ccc(F)cc1 ZINC000190023941 402571011 /nfs/dbraw/zinc/57/10/11/402571011.db2.gz AKMRAXUJZBVUAU-STQMWFEESA-N 1 0 308.397 2.096 10 0 DEAERO COc1ccc(CCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247556528 402572038 /nfs/dbraw/zinc/57/20/38/402572038.db2.gz ZSAODORFGPBCOK-ZBFHGGJFSA-N 1 0 302.418 2.323 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000246170184 402514889 /nfs/dbraw/zinc/51/48/89/402514889.db2.gz VHAHTPORRIUPMI-HOTGVXAUSA-N 1 0 323.387 2.462 10 0 DEAERO CN(C)C(=O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000246177200 402515539 /nfs/dbraw/zinc/51/55/39/402515539.db2.gz GLHQSGMQPKKSTP-DLBZAZTESA-N 1 0 304.434 2.443 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C(=O)OC)cc1 ZINC000170718550 402516521 /nfs/dbraw/zinc/51/65/21/402516521.db2.gz FBGXXTUYBULCAV-CYBMUJFWSA-N 1 0 321.421 2.003 10 0 DEAERO C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000246190699 402517553 /nfs/dbraw/zinc/51/75/53/402517553.db2.gz ILNDJMXUPSIOSM-GOSISDBHSA-N 1 0 309.413 2.274 10 0 DEAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178626346 402519024 /nfs/dbraw/zinc/51/90/24/402519024.db2.gz VYFRHOHSGLGZIM-GVDBMIGSSA-N 1 0 315.461 2.341 10 0 DEAERO CCOC(=O)C[C@H](NC(=O)CC(C)(C)[NH3+])c1ccccc1C ZINC000178637115 402520092 /nfs/dbraw/zinc/52/00/92/402520092.db2.gz DWPXSQWBIKJJPU-AWEZNQCLSA-N 1 0 306.406 2.233 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N[C@H](C)c1cccs1 ZINC000246261384 402521460 /nfs/dbraw/zinc/52/14/60/402521460.db2.gz UVYOKOXUAMRWIK-KFWWJZLASA-N 1 0 321.490 2.484 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N[C@H](C)c1cccs1 ZINC000246261387 402521530 /nfs/dbraw/zinc/52/15/30/402521530.db2.gz UVYOKOXUAMRWIK-RBSFLKMASA-N 1 0 321.490 2.484 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(Cl)c(C(=O)NC)c1)[NH+](C)C ZINC000178650528 402521794 /nfs/dbraw/zinc/52/17/94/402521794.db2.gz YRNHLGOIQHQXBZ-CYBMUJFWSA-N 1 0 311.813 2.368 10 0 DEAERO CCCCOCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246327683 402525381 /nfs/dbraw/zinc/52/53/81/402525381.db2.gz OHDUMOHYLLCYGV-HZPDHXFCSA-N 1 0 311.470 2.461 10 0 DEAERO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246337160 402526101 /nfs/dbraw/zinc/52/61/01/402526101.db2.gz ODTHUPGWQARGMH-RBSFLKMASA-N 1 0 302.484 2.169 10 0 DEAERO Cc1ccc(/C=C/CC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000246372820 402527791 /nfs/dbraw/zinc/52/77/91/402527791.db2.gz IEGHNPFHSCWQMX-XLYSIVADSA-N 1 0 316.445 2.312 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000246385742 402528731 /nfs/dbraw/zinc/52/87/31/402528731.db2.gz OYCDWPUIIJKQBS-SJORKVTESA-N 1 0 324.513 2.138 10 0 DEAERO CC[C@H](C(=O)NC1CCN(c2ccccc2OC)CC1)[NH+](C)C ZINC000178710531 402529130 /nfs/dbraw/zinc/52/91/30/402529130.db2.gz XAABQTQIEFBQGI-OAHLLOKOSA-N 1 0 319.449 2.120 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCCc3ccccc32)C1 ZINC000170830483 402530219 /nfs/dbraw/zinc/53/02/19/402530219.db2.gz GXQYAYUWIMKBLG-JKSUJKDBSA-N 1 0 301.434 2.452 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000170834782 402530729 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2.284 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(F)cc3cccnc32)[C@@H](C)C1 ZINC000249307737 402625476 /nfs/dbraw/zinc/62/54/76/402625476.db2.gz UKQCRGIQJBLAOG-KBPBESRZSA-N 1 0 317.408 2.261 10 0 DEAERO CC[N@H+](CC(=O)Nc1ccc(OC)c(OC)c1OC)C1CC1 ZINC000179166959 402577462 /nfs/dbraw/zinc/57/74/62/402577462.db2.gz HOORRPMBFOGDAN-UHFFFAOYSA-N 1 0 308.378 2.135 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC000249611630 402636849 /nfs/dbraw/zinc/63/68/49/402636849.db2.gz MGPZWGRDSJOJSQ-ZFWWWQNUSA-N 1 0 322.836 2.492 10 0 DEAERO OC[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1c1ccsc1 ZINC000249543772 402634013 /nfs/dbraw/zinc/63/40/13/402634013.db2.gz FSBBOAYXKFMURG-YESZJQIVSA-N 1 0 303.427 2.489 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccnc2)cc1F ZINC000181342766 402642264 /nfs/dbraw/zinc/64/22/64/402642264.db2.gz HDELLEUQJJFUNZ-CYBMUJFWSA-N 1 0 301.365 2.496 10 0 DEAERO C[C@@H](CCC(=O)N1CCN(CCO)[C@@H](C)C1)c1ccccc1 ZINC000250051332 402644503 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DEAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@@H]3C)C2=O)n(C)n1 ZINC000182340935 402682310 /nfs/dbraw/zinc/68/23/10/402682310.db2.gz MUBNSENNRRISAW-CFVMTHIKSA-N 1 0 304.438 2.392 10 0 DEAERO O=C(/C=C\c1ccc2c(c1)OCO2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000255288206 402683109 /nfs/dbraw/zinc/68/31/09/402683109.db2.gz CPCGRXWMPFWMOW-ZQMJAJRESA-N 1 0 314.385 2.125 10 0 DEAERO C[C@H](CNC(=O)c1cnn(CCC(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000182384127 402685634 /nfs/dbraw/zinc/68/56/34/402685634.db2.gz PVQAJOJHUSJAJB-SNVBAGLBSA-N 1 0 318.343 2.048 10 0 DEAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000191694025 402686848 /nfs/dbraw/zinc/68/68/48/402686848.db2.gz SOSVFFGYJDBMPV-KWCYVHTRSA-N 1 0 308.809 2.460 10 0 DEAERO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3ccccc3F)C2)CC1 ZINC000173286248 402690523 /nfs/dbraw/zinc/69/05/23/402690523.db2.gz RLLNKBVFFGMOHH-OAHLLOKOSA-N 1 0 319.424 2.068 10 0 DEAERO Cc1ccccc1CS(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173276685 402690906 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CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000182906342 402725625 /nfs/dbraw/zinc/72/56/25/402725625.db2.gz GKYVWGPZFPPHLZ-ZFWWWQNUSA-N 1 0 316.405 2.114 10 0 DEAERO Cc1cccc(N(C)C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000262412808 402725639 /nfs/dbraw/zinc/72/56/39/402725639.db2.gz DHKLPTNHSQISPW-RLFYNMQTSA-N 1 0 302.418 2.490 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)COc1cccc2cccnc21 ZINC000182906659 402726421 /nfs/dbraw/zinc/72/64/21/402726421.db2.gz AEBJHOSHGUDKEK-KBPBESRZSA-N 1 0 313.401 2.165 10 0 DEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C1(C)C ZINC000262541405 402727278 /nfs/dbraw/zinc/72/72/78/402727278.db2.gz RDSZMKZWMWOVQX-ADAWSYLGSA-N 1 0 302.418 2.191 10 0 DEAERO Cc1nnc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)s1 ZINC000174184875 402730645 /nfs/dbraw/zinc/73/06/45/402730645.db2.gz DLFFZXMWBSOKRY-NEPJUHHUSA-N 1 0 309.439 2.326 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)COCc2ccccc2)C1 ZINC000174233232 402732620 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Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000183193771 402746195 /nfs/dbraw/zinc/74/61/95/402746195.db2.gz JJPOIBKEVTXLBW-VYDXJSESSA-N 1 0 320.433 2.036 10 0 DEAERO CCCOc1cccc(CNC(=O)C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000183222235 402748476 /nfs/dbraw/zinc/74/84/76/402748476.db2.gz GKJFHSFWWKIBND-RHSMWYFYSA-N 1 0 320.433 2.249 10 0 DEAERO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1Cl ZINC000183222835 402748745 /nfs/dbraw/zinc/74/87/45/402748745.db2.gz MOCWKKFZMJPRDK-GWCFXTLKSA-N 1 0 312.797 2.444 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc2nccnc21 ZINC000193991997 402781398 /nfs/dbraw/zinc/78/13/98/402781398.db2.gz ZRHWKQXEIVGBGB-GFCCVEGCSA-N 1 0 316.380 2.373 10 0 DEAERO Cc1nc(CC(C)C)sc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263266485 402751961 /nfs/dbraw/zinc/75/19/61/402751961.db2.gz RQHNBYKIZQEXNN-LLVKDONJSA-N 1 0 321.450 2.276 10 0 DEAERO O=C(NCc1cc(F)ccc1F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174752219 402755223 /nfs/dbraw/zinc/75/52/23/402755223.db2.gz QTXYMLGPANNNBW-AWEZNQCLSA-N 1 0 307.344 2.121 10 0 DEAERO COc1ccc(/C=C\C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1O ZINC000492715712 286268614 /nfs/dbraw/zinc/26/86/14/286268614.db2.gz ZJHHRPHVRNIRFM-VEXXYJEVSA-N 1 0 318.417 2.259 10 0 DEAERO O=C(NC[C@@H]1CCc2ccccc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174836283 402759829 /nfs/dbraw/zinc/75/98/29/402759829.db2.gz VLGFTNZNABXFLT-IRXDYDNUSA-N 1 0 311.429 2.372 10 0 DEAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C)C2CCCC2)CC1 ZINC000174920260 402763039 /nfs/dbraw/zinc/76/30/39/402763039.db2.gz UKZHCWZZGOTSNF-JKSUJKDBSA-N 1 0 324.513 2.138 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1[nH]nc2ccccc21 ZINC000174961694 402766543 /nfs/dbraw/zinc/76/65/43/402766543.db2.gz FMWBOLDBUVBOJY-ZIAGYGMSSA-N 1 0 312.417 2.191 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC2CCCC2)C1 ZINC000193157513 402767560 /nfs/dbraw/zinc/76/75/60/402767560.db2.gz DGFKHKAZUMRRAI-INIZCTEOSA-N 1 0 311.470 2.223 10 0 DEAERO CCc1nc(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)cs1 ZINC000174977026 402768673 /nfs/dbraw/zinc/76/86/73/402768673.db2.gz DSZGMIVASUDNTE-UONOGXRCSA-N 1 0 307.463 2.333 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1nc2ccccc2n1C ZINC000193318870 402770257 /nfs/dbraw/zinc/77/02/57/402770257.db2.gz DBEFVNVDUZCOEB-ZDUSSCGKSA-N 1 0 317.437 2.103 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2c1OCO2 ZINC000174995783 402770396 /nfs/dbraw/zinc/77/03/96/402770396.db2.gz UROCAYSMAGXILF-CHWSQXEVSA-N 1 0 302.374 2.114 10 0 DEAERO Cc1cccc(N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)c1 ZINC000183485537 402771351 /nfs/dbraw/zinc/77/13/51/402771351.db2.gz OAIMYLPQNHKVGJ-UHFFFAOYSA-N 1 0 324.428 2.418 10 0 DEAERO COC(=O)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175012241 402771435 /nfs/dbraw/zinc/77/14/35/402771435.db2.gz GLEQNUSPFDQZLF-IUODEOHRSA-N 1 0 319.405 2.420 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000183511407 402772981 /nfs/dbraw/zinc/77/29/81/402772981.db2.gz OTTVUAKMLZDFOP-HNNXBMFYSA-N 1 0 324.428 2.404 10 0 DEAERO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000193623808 402774278 /nfs/dbraw/zinc/77/42/78/402774278.db2.gz JIEQIJNBLUEMBW-PELKAZGASA-N 1 0 315.186 2.202 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N(C)CCN(C)c1ccccc1 ZINC000183560186 402776362 /nfs/dbraw/zinc/77/63/62/402776362.db2.gz ARLLHWBXYSBWPD-UHFFFAOYSA-N 1 0 312.417 2.356 10 0 DEAERO CCOC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000173986412 402722780 /nfs/dbraw/zinc/72/27/80/402722780.db2.gz JEJTUKARLFOHDO-GOOCMWNKSA-N 1 0 309.454 2.212 10 0 DEAERO C[C@H](NC(=O)N(C)C[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182880434 402724299 /nfs/dbraw/zinc/72/42/99/402724299.db2.gz MERPJDFTNKSQIW-UXLLHSPISA-N 1 0 323.481 2.460 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000194318669 402792296 /nfs/dbraw/zinc/79/22/96/402792296.db2.gz FDEMHCQPOCVVSF-GFCCVEGCSA-N 1 0 307.394 2.310 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000194317151 402792374 /nfs/dbraw/zinc/79/23/74/402792374.db2.gz PHAIBTCVRSZGEL-LBPRGKRZSA-N 1 0 307.394 2.310 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCOC(F)F ZINC000194337030 402792790 /nfs/dbraw/zinc/79/27/90/402792790.db2.gz MSXYFFSQPWCJMS-GFCCVEGCSA-N 1 0 307.385 2.035 10 0 DEAERO CN1CCN(C(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000183728417 402792909 /nfs/dbraw/zinc/79/29/09/402792909.db2.gz SPOUBENZFDFWCP-KRWDZBQOSA-N 1 0 321.852 2.155 10 0 DEAERO O=C(CCCOCCc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195335083 402842379 /nfs/dbraw/zinc/84/23/79/402842379.db2.gz PITRVQQAQXTFNI-SFHVURJKSA-N 1 0 316.445 2.333 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(C)Cc1ccccc1 ZINC000175342211 402798460 /nfs/dbraw/zinc/79/84/60/402798460.db2.gz PBYNZURMAMKFPR-QGZVFWFLSA-N 1 0 303.450 2.061 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000175389356 402801800 /nfs/dbraw/zinc/80/18/00/402801800.db2.gz SIWJAESCNSNILD-ZIAGYGMSSA-N 1 0 305.426 2.131 10 0 DEAERO COCC[N@H+](C)CCCNc1cc(C)nc(-c2cccnc2)n1 ZINC000194554214 402802681 /nfs/dbraw/zinc/80/26/81/402802681.db2.gz BOWLIEVNXLMROE-UHFFFAOYSA-N 1 0 315.421 2.227 10 0 DEAERO CCOC(=O)CC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183912272 402804731 /nfs/dbraw/zinc/80/47/31/402804731.db2.gz TZRGFKMSSJLFBU-GFCCVEGCSA-N 1 0 316.195 2.025 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc3c2OCCO3)CC[N@@H+]1C ZINC000175415681 402804907 /nfs/dbraw/zinc/80/49/07/402804907.db2.gz APRFKTKOJLHWPL-STQMWFEESA-N 1 0 319.405 2.404 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)CSc2ccc(OC)cc2)C1 ZINC000194636097 402807224 /nfs/dbraw/zinc/80/72/24/402807224.db2.gz TXZFVDFXMMHUAB-ZDUSSCGKSA-N 1 0 308.447 2.388 10 0 DEAERO CC(C)c1noc2ncc(C(=O)NC[C@H]3CCC[N@@H+]3C)cc21 ZINC000194715563 402812376 /nfs/dbraw/zinc/81/23/76/402812376.db2.gz GUJORWFFSPEMOQ-GFCCVEGCSA-N 1 0 302.378 2.170 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2COc3ccccc32)C1 ZINC000194743233 402814369 /nfs/dbraw/zinc/81/43/69/402814369.db2.gz UHXNZRYDRLDSFM-UKRRQHHQSA-N 1 0 303.406 2.151 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)NCCc1ncc(CC)s1 ZINC000175599473 402820605 /nfs/dbraw/zinc/82/06/05/402820605.db2.gz PUMOHSZHJVRMQJ-UHFFFAOYSA-N 1 0 312.483 2.279 10 0 DEAERO COC(=O)c1coc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000184441547 402844031 /nfs/dbraw/zinc/84/40/31/402844031.db2.gz HMGLREFAXMBSDC-LBPRGKRZSA-N 1 0 308.378 2.061 10 0 DEAERO COc1ccc(CCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1F ZINC000195076413 402830477 /nfs/dbraw/zinc/83/04/77/402830477.db2.gz YZDLIBQQXPRSQI-OAHLLOKOSA-N 1 0 320.408 2.464 10 0 DEAERO C[C@@H](NC(=O)c1ccc(-c2ncon2)cc1)C(C)(C)C[NH+](C)C ZINC000175799618 402834082 /nfs/dbraw/zinc/83/40/82/402834082.db2.gz BYMFKYHWLDYILK-GFCCVEGCSA-N 1 0 316.405 2.443 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H]1CCN(C(C)C)C1=O ZINC000175202129 402787351 /nfs/dbraw/zinc/78/73/51/402787351.db2.gz VBFPWPDXWCTSIN-HUUCEWRRSA-N 1 0 304.438 2.183 10 0 DEAERO CCC[C@H](NC(=O)C[NH2+][C@H](C(=O)NC)C(C)C)c1ccccc1 ZINC000183677612 402788230 /nfs/dbraw/zinc/78/82/30/402788230.db2.gz KZNHMKRHHCCJHZ-RDJZCZTQSA-N 1 0 319.449 2.004 10 0 DEAERO CC[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Oc1ccccc1F ZINC000175957028 402844875 /nfs/dbraw/zinc/84/48/75/402844875.db2.gz AUTWEHLJCQEPFX-ZIAGYGMSSA-N 1 0 323.412 2.329 10 0 DEAERO COC(=O)[C@@H](c1ccccc1C)N1CCC[N@@H+](C2CC2)CC1 ZINC000184487493 402846370 /nfs/dbraw/zinc/84/63/70/402846370.db2.gz OKRQGKQCXTXXIC-QGZVFWFLSA-N 1 0 302.418 2.379 10 0 DEAERO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503248 402847490 /nfs/dbraw/zinc/84/74/90/402847490.db2.gz UNYVFSCSLOFAIZ-HNNXBMFYSA-N 1 0 318.465 2.247 10 0 DEAERO CCOC(=O)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000195492390 402847517 /nfs/dbraw/zinc/84/75/17/402847517.db2.gz IZNIDMJCFVQDAK-INIZCTEOSA-N 1 0 318.417 2.111 10 0 DEAERO Cc1cn(-c2ccccc2)nc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000184525035 402848649 /nfs/dbraw/zinc/84/86/49/402848649.db2.gz YCQFKYQMPXVFHS-RDJZCZTQSA-N 1 0 324.428 2.489 10 0 DEAERO Cc1cc(NCc2ccc(F)c(C[NH+](C)C)c2)n2ncnc2n1 ZINC000265184829 402899175 /nfs/dbraw/zinc/89/91/75/402899175.db2.gz FPUQJWJNXPKJFA-UHFFFAOYSA-N 1 0 314.368 2.246 10 0 DEAERO Brc1cccc2c1CN(CCn1cncn1)CC2 ZINC000265527080 402926815 /nfs/dbraw/zinc/92/68/15/402926815.db2.gz PDKNYTVOGQUMJV-UHFFFAOYSA-N 1 0 307.195 2.099 10 0 DEAERO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)no1 ZINC000276282434 403160485 /nfs/dbraw/zinc/16/04/85/403160485.db2.gz GDMDGVHMHAIASB-UONOGXRCSA-N 1 0 319.409 2.075 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)C[C@@](C)(O)C2CC2)[C@H]1c1ccccc1 ZINC000270399063 403187675 /nfs/dbraw/zinc/18/76/75/403187675.db2.gz CFFKAODSTQHPEO-CGTJXYLNSA-N 1 0 302.418 2.099 10 0 DEAERO C[N@@H+]1CCO[C@@H]2CCN(c3ncnc4c5ccccc5oc43)C[C@H]21 ZINC000285173567 403278991 /nfs/dbraw/zinc/27/89/91/403278991.db2.gz VBUZLRUSNBKOOE-UKRRQHHQSA-N 1 0 324.384 2.285 10 0 DEAERO CCn1cc(CC[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(OC)c2)cn1 ZINC000286213563 403474376 /nfs/dbraw/zinc/47/43/76/403474376.db2.gz QPWPLLSIJUXERO-SJLPKXTDSA-N 1 0 315.417 2.262 10 0 DEAERO Cc1cc(C)n(-c2cncc(NCC[NH+]3CCCCC3)n2)n1 ZINC000301140430 403594787 /nfs/dbraw/zinc/59/47/87/403594787.db2.gz ATMZOJAWAKFDSX-UHFFFAOYSA-N 1 0 300.410 2.177 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C12CCC2 ZINC000246109446 286347700 /nfs/dbraw/zinc/34/77/00/286347700.db2.gz HREUFLGZELPWDJ-FXUDXRNXSA-N 1 0 323.481 2.458 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cncc3C2)[C@@H]1c1ccccc1 ZINC000332759188 403613545 /nfs/dbraw/zinc/61/35/45/403613545.db2.gz ZEYJLAYZGWUORE-SZMVWBNQSA-N 1 0 324.428 2.007 10 0 DEAERO Cc1ccc2ncnc(NC[C@@H](c3cnn(C)c3)[NH+](C)C)c2c1 ZINC000301305417 403613580 /nfs/dbraw/zinc/61/35/80/403613580.db2.gz XZPOWELVBANSEI-INIZCTEOSA-N 1 0 310.405 2.387 10 0 DEAERO Cc1cc(NC(=O)N(C)[C@H]2CCC[NH2+]CC2)cn2ccnc12 ZINC000333098079 403665747 /nfs/dbraw/zinc/66/57/47/403665747.db2.gz AKNVXHVAQCNBHR-AWEZNQCLSA-N 1 0 301.394 2.249 10 0 DEAERO Cc1nn(C)c2cc(NC(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)ccc12 ZINC000333258761 403709314 /nfs/dbraw/zinc/70/93/14/403709314.db2.gz DOXVSFHNNZRHOS-DGCLKSJQSA-N 1 0 315.421 2.391 10 0 DEAERO COc1nc(C)nc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000301862615 403691656 /nfs/dbraw/zinc/69/16/56/403691656.db2.gz CPYIRRXCVRTPIG-CHWSQXEVSA-N 1 0 322.453 2.403 10 0 DEAERO O=C(Nc1nc(C(F)(F)F)cs1)N[C@@H]1CCCC[NH2+]C1 ZINC000333201652 403693153 /nfs/dbraw/zinc/69/31/53/403693153.db2.gz XYUBZMUQSUMCNJ-SSDOTTSWSA-N 1 0 308.329 2.426 10 0 DEAERO Cc1cccc2c1ncnc2N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000302567346 403711736 /nfs/dbraw/zinc/71/17/36/403711736.db2.gz XCTLPMIVPVKQNM-AWEZNQCLSA-N 1 0 314.433 2.220 10 0 DEAERO COc1cc(OC)c2ncnc(N3CC[NH+](C(C)C)CC3)c2c1 ZINC000302702520 403713471 /nfs/dbraw/zinc/71/34/71/403713471.db2.gz BNDQNJHFALJCBT-UHFFFAOYSA-N 1 0 316.405 2.177 10 0 DEAERO Cc1sc2[nH]c(CN3CCC4(CC[NH2+]4)CC3)nc(=O)c2c1C ZINC000333296215 403719652 /nfs/dbraw/zinc/71/96/52/403719652.db2.gz PJCOBYXSPHVCRB-UHFFFAOYSA-N 1 0 318.446 2.342 10 0 DEAERO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCc3nnnn3CC2)s1 ZINC000333324335 403725382 /nfs/dbraw/zinc/72/53/82/403725382.db2.gz AAOUAAQHJCFQGH-GXSJLCMTSA-N 1 0 306.439 2.056 10 0 DEAERO Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000333683838 403813807 /nfs/dbraw/zinc/81/38/07/403813807.db2.gz PCHSJHPSMJQATG-LLVKDONJSA-N 1 0 302.827 2.069 10 0 DEAERO COc1coc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1=O ZINC000361729986 403827857 /nfs/dbraw/zinc/82/78/57/403827857.db2.gz WKVUQTBXHDWZEK-LBPRGKRZSA-N 1 0 303.358 2.417 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000333715439 403829431 /nfs/dbraw/zinc/82/94/31/403829431.db2.gz SXYIWGAAHSQNNF-UPJWGTAASA-N 1 0 308.451 2.378 10 0 DEAERO COc1ccc2cc(C[N@@H+]3C[C@@H](OC)C[C@H]3CO)ccc2c1 ZINC000343993112 403833041 /nfs/dbraw/zinc/83/30/41/403833041.db2.gz WTNITFKCSCMNBV-WMZOPIPTSA-N 1 0 301.386 2.430 10 0 DEAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CCCN(c4cccnn4)C3)C[C@H]2C1 ZINC000333567499 403782149 /nfs/dbraw/zinc/78/21/49/403782149.db2.gz LZCLWMJPFZRMHK-JJTUDDRGSA-N 1 0 316.449 2.239 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cnc(C)s2)C[C@H]1C ZINC000361766917 403853291 /nfs/dbraw/zinc/85/32/91/403853291.db2.gz ALPPVAAXUYYNKI-YPMHNXCESA-N 1 0 310.467 2.466 10 0 DEAERO Cc1ccc(-c2cc(C(=O)N3CCC4(CC[NH2+]4)CC3)[nH]n2)cc1 ZINC000333857520 403887721 /nfs/dbraw/zinc/88/77/21/403887721.db2.gz RHGQTWJHHINYEI-UHFFFAOYSA-N 1 0 310.401 2.353 10 0 DEAERO COc1nc(N[C@H](C)CCCC[NH3+])ncc1Br ZINC000336703230 403913212 /nfs/dbraw/zinc/91/32/12/403913212.db2.gz KJSPCMMXQUKQIR-MRVPVSSYSA-N 1 0 303.204 2.177 10 0 DEAERO C[C@H]1CC(C[NH2+]Cc2c(Br)cnn2C)C[C@H](C)O1 ZINC000341489049 403995306 /nfs/dbraw/zinc/99/53/06/403995306.db2.gz QDMSTOJVYUZNOM-UWVGGRQHSA-N 1 0 316.243 2.476 10 0 DEAERO Cc1ccc([C@@H](CNC(=O)c2nn(C)cc2C)[NH+]2CCCC2)o1 ZINC000411879981 404002604 /nfs/dbraw/zinc/00/26/04/404002604.db2.gz UYBGKDUXNCMRKP-CQSZACIVSA-N 1 0 316.405 2.197 10 0 DEAERO COC(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000323650726 404091911 /nfs/dbraw/zinc/09/19/11/404091911.db2.gz WRRGCAQHCQINGP-OAHLLOKOSA-N 1 0 304.434 2.392 10 0 DEAERO c1nc(C2OCCO2)sc1C[NH2+]CCCc1ccccn1 ZINC000290325855 404127234 /nfs/dbraw/zinc/12/72/34/404127234.db2.gz JVHOJUVFWWSXRG-UHFFFAOYSA-N 1 0 305.403 2.306 10 0 DEAERO CC1(C)C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@]2(CCOC2)O1 ZINC000369555995 404140999 /nfs/dbraw/zinc/14/09/99/404140999.db2.gz IJHSSNMDXABGAG-KRWDZBQOSA-N 1 0 317.389 2.440 10 0 DEAERO COCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CCCC1 ZINC000261934834 292307503 /nfs/dbraw/zinc/30/75/03/292307503.db2.gz MDAZRTDAYKCUSB-GVDBMIGSSA-N 1 0 310.482 2.330 10 0 DEAERO CC(C)OC1CC([NH2+][C@@H](c2nccn2C)C2CCOCC2)C1 ZINC000344508292 404192374 /nfs/dbraw/zinc/19/23/74/404192374.db2.gz GBIJZDYRMQZLPB-UYSNPLJNSA-N 1 0 307.438 2.433 10 0 DEAERO CC1(C)C[N@H+](CCOc2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000369856110 404250004 /nfs/dbraw/zinc/25/00/04/404250004.db2.gz LRJWTIVLBGAZLV-QGZVFWFLSA-N 1 0 309.381 2.474 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329295692 404292608 /nfs/dbraw/zinc/29/26/08/404292608.db2.gz SOBCQKFBMRPOOA-HUUCEWRRSA-N 1 0 309.454 2.323 10 0 DEAERO CC1(C)CCC(=CC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000370964552 404430985 /nfs/dbraw/zinc/43/09/85/404430985.db2.gz DHZANKFZZZMZNT-HOTGVXAUSA-N 1 0 306.450 2.492 10 0 DEAERO C(CN1CCC([NH2+]C2(C3CCC3)CCC2)CC1)N1CCOCC1 ZINC000414171246 404533965 /nfs/dbraw/zinc/53/39/65/404533965.db2.gz CXMLQNHDDQLYDL-UHFFFAOYSA-N 1 0 321.509 2.095 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccoc1C1CC1 ZINC000373846335 404611342 /nfs/dbraw/zinc/61/13/42/404611342.db2.gz TVIXCAPGLVWHQS-BMFZPTHFSA-N 1 0 318.417 2.481 10 0 DEAERO c1nnn(Cc2ccccc2)c1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000291981517 404611860 /nfs/dbraw/zinc/61/18/60/404611860.db2.gz RXRAOANLGVQHSE-QZTJIDSGSA-N 1 0 311.433 2.043 10 0 DEAERO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1)N1CCCC1 ZINC000373865477 404620059 /nfs/dbraw/zinc/62/00/59/404620059.db2.gz HUGJJKNFCIPZSR-ZBFHGGJFSA-N 1 0 312.417 2.444 10 0 DEAERO c1c(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)nc2ncccn12 ZINC000297822792 404633914 /nfs/dbraw/zinc/63/39/14/404633914.db2.gz ZBTIJOLQVQUCKF-KRWDZBQOSA-N 1 0 321.428 2.484 10 0 DEAERO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374063022 404683158 /nfs/dbraw/zinc/68/31/58/404683158.db2.gz BCMSPRVUZNSOLO-IVCRCZCHSA-N 1 0 319.453 2.331 10 0 DEAERO COc1ccc2c(c1)CC[N@@H+](C[C@H](O)CC(F)(F)F)CC2 ZINC000375981587 404783127 /nfs/dbraw/zinc/78/31/27/404783127.db2.gz RLYWGEUFXULDJG-CYBMUJFWSA-N 1 0 303.324 2.409 10 0 DEAERO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2)CC12COC2 ZINC000451141768 404878943 /nfs/dbraw/zinc/87/89/43/404878943.db2.gz VZYSQZPURXZUNX-SWLSCSKDSA-N 1 0 307.365 2.398 10 0 DEAERO CCn1cc(CCN2CCn3c(C(C)C)nnc3[C@@H]2C)cn1 ZINC000367027699 404903592 /nfs/dbraw/zinc/90/35/92/404903592.db2.gz SNLYNPDZYKGQSR-ZDUSSCGKSA-N 1 0 302.426 2.237 10 0 DEAERO Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000366878000 404863177 /nfs/dbraw/zinc/86/31/77/404863177.db2.gz CZAVEZAACNKQJS-ZFWWWQNUSA-N 1 0 303.406 2.433 10 0 DEAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@H](O)C(F)F)cc1 ZINC000360973625 404866872 /nfs/dbraw/zinc/86/68/72/404866872.db2.gz DPHMAGMJBLFBIF-LBPRGKRZSA-N 1 0 301.333 2.358 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000361130138 404934920 /nfs/dbraw/zinc/93/49/20/404934920.db2.gz SHRABKUCFYPBJJ-HNNXBMFYSA-N 1 0 318.396 2.235 10 0 DEAERO C[C@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@H]1[NH3+] ZINC000423945201 404940627 /nfs/dbraw/zinc/94/06/27/404940627.db2.gz HYGFSTNFFAFHMG-GXFFZTMASA-N 1 0 311.223 2.187 10 0 DEAERO CC(C)c1ccc(CC[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000435026748 404950930 /nfs/dbraw/zinc/95/09/30/404950930.db2.gz BPEOALTXUFZGPA-SFHVURJKSA-N 1 0 315.417 2.027 10 0 DEAERO Cc1scc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000367372078 405028360 /nfs/dbraw/zinc/02/83/60/405028360.db2.gz PJZIRDGBKHSSKR-OAHLLOKOSA-N 1 0 321.490 2.217 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ncccc1N ZINC000382754554 405031785 /nfs/dbraw/zinc/03/17/85/405031785.db2.gz GERLISVONLSCAM-OAHLLOKOSA-N 1 0 324.428 2.400 10 0 DEAERO C/C=C\C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000385081486 405034416 /nfs/dbraw/zinc/03/44/16/405034416.db2.gz WULSDYBXFVLIOZ-ZZKXABKFSA-N 1 0 300.196 2.355 10 0 DEAERO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000361270245 405001021 /nfs/dbraw/zinc/00/10/21/405001021.db2.gz DKYKNLUIOMORJR-LAJNKCICSA-N 1 0 311.447 2.499 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2Br)C1 ZINC000389975137 405043721 /nfs/dbraw/zinc/04/37/21/405043721.db2.gz IQELDQOCGUMZIC-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000407961525 405076889 /nfs/dbraw/zinc/07/68/89/405076889.db2.gz HOOMBLXEWRYMAH-AAVRWANBSA-N 1 0 323.437 2.290 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)C1 ZINC000408019155 405091036 /nfs/dbraw/zinc/09/10/36/405091036.db2.gz FDKCIARMLAWILD-GFCCVEGCSA-N 1 0 303.406 2.056 10 0 DEAERO Brc1cnn(CC[NH2+][C@H]2CCCc3n[nH]cc32)c1 ZINC000367705938 405131068 /nfs/dbraw/zinc/13/10/68/405131068.db2.gz IIUVSTGDIFBIMQ-NSHDSACASA-N 1 0 310.199 2.036 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452099200 405167160 /nfs/dbraw/zinc/16/71/60/405167160.db2.gz VVPUIYGVDHDCRH-CQSZACIVSA-N 1 0 314.426 2.237 10 0 DEAERO CC(=O)c1ccc(NC(=O)CNC(C)(C)C[NH+]2CCCC2)cc1 ZINC000452095884 405164751 /nfs/dbraw/zinc/16/47/51/405164751.db2.gz MGONACRKFYUPAI-UHFFFAOYSA-N 1 0 317.433 2.292 10 0 DEAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000408349807 405181802 /nfs/dbraw/zinc/18/18/02/405181802.db2.gz MGWLEERIUKDGBR-LVQVYYBASA-N 1 0 314.495 2.405 10 0 DEAERO Cc1nn(C)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000408473838 405215324 /nfs/dbraw/zinc/21/53/24/405215324.db2.gz LYKFWGRLRPSSPZ-CZUORRHYSA-N 1 0 312.417 2.435 10 0 DEAERO CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000408339319 405177799 /nfs/dbraw/zinc/17/77/99/405177799.db2.gz PHRANOFWNMEDPD-ZNMIVQPWSA-N 1 0 323.481 2.013 10 0 DEAERO COC1([C@H](C)[NH2+][C@@H]2COc3c(C)cccc3C2)CCOCC1 ZINC000453247104 405290139 /nfs/dbraw/zinc/29/01/39/405290139.db2.gz HJHARMYTDPUFSP-HOCLYGCPSA-N 1 0 305.418 2.472 10 0 DEAERO CC(=O)N1CCN(Cc2ccc(-c3ccccn3)nc2)[C@@H](C)C1 ZINC000425411990 405286649 /nfs/dbraw/zinc/28/66/49/405286649.db2.gz BMNFOBGOBVBXSO-AWEZNQCLSA-N 1 0 310.401 2.196 10 0 DEAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)CCCc2cccnc2)C1 ZINC000453146777 405286878 /nfs/dbraw/zinc/28/68/78/405286878.db2.gz MSJKIFAJSKLFDK-ZBFHGGJFSA-N 1 0 304.438 2.186 10 0 DEAERO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+]Cc2cncnc2)CC1 ZINC000368048160 405223028 /nfs/dbraw/zinc/22/30/28/405223028.db2.gz WZBYKJFKQRRZGO-AWEZNQCLSA-N 1 0 318.421 2.356 10 0 DEAERO CC[NH+]1CCN(CC(=O)Nc2ccccc2C(C)(F)F)CC1 ZINC000452668377 405223731 /nfs/dbraw/zinc/22/37/31/405223731.db2.gz IGFXNANXURTYQJ-UHFFFAOYSA-N 1 0 311.376 2.374 10 0 DEAERO C[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)CS(C)(=O)=O ZINC000368269123 405233803 /nfs/dbraw/zinc/23/38/03/405233803.db2.gz FDWBLXGISSKIAZ-QKPAOTATSA-N 1 0 317.495 2.073 10 0 DEAERO CC[N@H+](CCNC(=O)Nc1ccc(N2CCC2=O)cc1)C(C)C ZINC000439971154 405298599 /nfs/dbraw/zinc/29/85/99/405298599.db2.gz YOZNTPYPDITXED-UHFFFAOYSA-N 1 0 318.421 2.275 10 0 DEAERO COc1cccc([C@H](C)CC(=O)NCCNc2cc[nH+]cc2)c1 ZINC000440048248 405300381 /nfs/dbraw/zinc/30/03/81/405300381.db2.gz DFBZQECEJMZXGH-CQSZACIVSA-N 1 0 313.401 2.234 10 0 DEAERO CC(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)o1 ZINC000446101566 405372674 /nfs/dbraw/zinc/37/26/74/405372674.db2.gz ZRZDCNUXEBXUNQ-HNNXBMFYSA-N 1 0 314.385 2.385 10 0 DEAERO CN(C[C@@H]1CC=CCC1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000455663398 405441898 /nfs/dbraw/zinc/44/18/98/405441898.db2.gz XNFNCIJRPYVIBU-CQSZACIVSA-N 1 0 305.426 2.265 10 0 DEAERO Cc1nn(C)cc1CC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000448773305 405446707 /nfs/dbraw/zinc/44/67/07/405446707.db2.gz HFYOALPBJPQWKR-UHFFFAOYSA-N 1 0 320.481 2.242 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000457804397 405472645 /nfs/dbraw/zinc/47/26/45/405472645.db2.gz JRWSATPIZGOWGT-ZDUSSCGKSA-N 1 0 306.406 2.240 10 0 DEAERO COc1nsc(C[NH2+]CC[C@@H](C)OC)c1Br ZINC000638486019 405501805 /nfs/dbraw/zinc/50/18/05/405501805.db2.gz OGSALSZVYNZHIF-SSDOTTSWSA-N 1 0 309.229 2.429 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000577816115 405517887 /nfs/dbraw/zinc/51/78/87/405517887.db2.gz GAGWYPYHKLHPKA-WCQYABFASA-N 1 0 323.418 2.115 10 0 DEAERO COc1nsc(C[NH2+][C@H](CO)C(C)C)c1Br ZINC000638721974 405634944 /nfs/dbraw/zinc/63/49/44/405634944.db2.gz PWZRTZURNIYJTQ-SSDOTTSWSA-N 1 0 309.229 2.021 10 0 DEAERO c1nc(N2CCCC2)ncc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000580516185 405630162 /nfs/dbraw/zinc/63/01/62/405630162.db2.gz PYEWQSNMGLALGN-QGZVFWFLSA-N 1 0 302.422 2.079 10 0 DEAERO [NH3+]CCCOCCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000638657437 405599851 /nfs/dbraw/zinc/59/98/51/405599851.db2.gz OYMVNQCDBGTPQH-UHFFFAOYSA-N 1 0 305.205 2.018 10 0 DEAERO CN(CCCO)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000458985342 405678265 /nfs/dbraw/zinc/67/82/65/405678265.db2.gz XIUXBCGKMBIZKS-UHFFFAOYSA-N 1 0 319.449 2.065 10 0 DEAERO COc1nsc(C[NH2+][C@H]2CC[C@H](O)CC2)c1Br ZINC000638800798 405675060 /nfs/dbraw/zinc/67/50/60/405675060.db2.gz ZDOHEYDFGQLLND-ZKCHVHJHSA-N 1 0 321.240 2.307 10 0 DEAERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000457123599 405713095 /nfs/dbraw/zinc/71/30/95/405713095.db2.gz PIGXVJPAFAPYCV-QGZVFWFLSA-N 1 0 314.429 2.299 10 0 DEAERO C[C@@H]1CN(C(=O)Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000638889220 405741825 /nfs/dbraw/zinc/74/18/25/405741825.db2.gz PFRFCKBBUCYVEX-PWSUYJOCSA-N 1 0 311.223 2.045 10 0 DEAERO C[C@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000638887232 405742192 /nfs/dbraw/zinc/74/21/92/405742192.db2.gz KHSDHSDCMDCKBN-VHSXEESVSA-N 1 0 317.216 2.425 10 0 DEAERO C[N@@H+]1CC[C@H](C(=O)NCCc2ccccc2Br)C1 ZINC000560363625 405798205 /nfs/dbraw/zinc/79/82/05/405798205.db2.gz QKGINKJJFISVQW-LBPRGKRZSA-N 1 0 311.223 2.060 10 0 DEAERO Cc1cc(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)cs1 ZINC000638994061 405806098 /nfs/dbraw/zinc/80/60/98/405806098.db2.gz HGQOCASCBAIJSF-HNNXBMFYSA-N 1 0 303.431 2.454 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000495063207 405809233 /nfs/dbraw/zinc/80/92/33/405809233.db2.gz WVYBTVNWOSQGBP-GRYCIOLGSA-N 1 0 301.381 2.489 10 0 DEAERO CC(=O)[C@](C)(O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000450288013 405818170 /nfs/dbraw/zinc/81/81/70/405818170.db2.gz QGDUSVYBVZBGNO-CYBMUJFWSA-N 1 0 300.196 2.221 10 0 DEAERO Fc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000530524901 405820576 /nfs/dbraw/zinc/82/05/76/405820576.db2.gz JDACDACDELSZPP-QZTJIDSGSA-N 1 0 322.424 2.438 10 0 DEAERO CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000583617421 405774581 /nfs/dbraw/zinc/77/45/81/405774581.db2.gz KHKIYFNHJCKGTM-WFASDCNBSA-N 1 0 316.401 2.331 10 0 DEAERO COc1nsc(C[NH2+][C@H](CO)C(C)(C)C)c1Br ZINC000639041240 405838228 /nfs/dbraw/zinc/83/82/28/405838228.db2.gz JXSAGQPMWGJLEX-MRVPVSSYSA-N 1 0 323.256 2.411 10 0 DEAERO COc1ccc([C@@H](CO)C[NH2+]Cc2cnn3ccccc23)cc1 ZINC000459727448 406022912 /nfs/dbraw/zinc/02/29/12/406022912.db2.gz FFIHLSSKQLAJJG-MRXNPFEDSA-N 1 0 311.385 2.209 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000451042819 406027938 /nfs/dbraw/zinc/02/79/38/406027938.db2.gz DXOUHZZPFNVWGU-OWCLPIDISA-N 1 0 310.825 2.015 10 0 DEAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000567697314 406122085 /nfs/dbraw/zinc/12/20/85/406122085.db2.gz URCOPEFDCOMCLS-BQFCYCMXSA-N 1 0 303.402 2.265 10 0 DEAERO CCOC(=O)c1nc(C[NH2+]C2(CCO)CCCCC2)cs1 ZINC000533390561 406140827 /nfs/dbraw/zinc/14/08/27/406140827.db2.gz UMOZPIUSQSVXNW-UHFFFAOYSA-N 1 0 312.435 2.495 10 0 DEAERO O=C(C[N@@H+]1CCC12CCC2)NCCc1cnn(-c2ccccc2)c1 ZINC000533481678 406146355 /nfs/dbraw/zinc/14/63/55/406146355.db2.gz XRKGLGYBWBMNEB-UHFFFAOYSA-N 1 0 324.428 2.159 10 0 DEAERO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000534530108 406190503 /nfs/dbraw/zinc/19/05/03/406190503.db2.gz MQBOXZYXJPUMBL-KBPBESRZSA-N 1 0 301.415 2.205 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2COc3cc(OC)ccc32)C1 ZINC000534818461 406196507 /nfs/dbraw/zinc/19/65/07/406196507.db2.gz XIHZBJLKHPJRGN-KGLIPLIRSA-N 1 0 318.417 2.019 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Cc1ccc(Br)cc1 ZINC000537214431 406285932 /nfs/dbraw/zinc/28/59/32/406285932.db2.gz CWYYWUAVQKSEQY-UHFFFAOYSA-N 1 0 313.239 2.402 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000632918799 406319959 /nfs/dbraw/zinc/31/99/59/406319959.db2.gz RZCVZADQRZNWRE-HDJSIYSDSA-N 1 0 318.421 2.308 10 0 DEAERO CC[C@@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)C1CCOCC1 ZINC000545859667 406329509 /nfs/dbraw/zinc/32/95/09/406329509.db2.gz ZBFJXJOTZWHHIT-MRXNPFEDSA-N 1 0 309.454 2.143 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000545858604 406329861 /nfs/dbraw/zinc/32/98/61/406329861.db2.gz HBFKWUZFMRCJLC-CVEARBPZSA-N 1 0 309.454 2.141 10 0 DEAERO c1c[nH]c([C@@H](NCc2cccc3c2CC[NH2+]C3)c2cccnc2)n1 ZINC000635007572 406397269 /nfs/dbraw/zinc/39/72/69/406397269.db2.gz DRTNMHRQKIDEEG-SFHVURJKSA-N 1 0 319.412 2.330 10 0 DEAERO CCC1(CC)C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)CCS1 ZINC000547337529 406400048 /nfs/dbraw/zinc/40/00/48/406400048.db2.gz WHMLZCFPNTVOAC-GJZGRUSLSA-N 1 0 317.495 2.151 10 0 DEAERO C([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1nnc2n1CCCC2 ZINC000547397038 406406818 /nfs/dbraw/zinc/40/68/18/406406818.db2.gz CLANFBNGDVIXST-RBSFLKMASA-N 1 0 304.438 2.299 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000634950310 406366385 /nfs/dbraw/zinc/36/63/85/406366385.db2.gz OUNRCWPZBAVMET-CQSZACIVSA-N 1 0 301.839 2.439 10 0 DEAERO Cc1cccc(CC(=O)NCCNc2cc[nH+]cc2)c1Cl ZINC000489060371 406375055 /nfs/dbraw/zinc/37/50/55/406375055.db2.gz ZBWFEWWNQVDMKB-UHFFFAOYSA-N 1 0 303.793 2.236 10 0 DEAERO COc1cc(NC(=O)C2=CC[C@@H]([NH3+])C2)ccc1Br ZINC000637926734 406481575 /nfs/dbraw/zinc/48/15/75/406481575.db2.gz QVEWLGRUDVZCTG-SECBINFHSA-N 1 0 311.179 2.444 10 0 DEAERO [NH3+]CCCOC1CCN(C(=O)c2cscc2Cl)CC1 ZINC000637863681 406451923 /nfs/dbraw/zinc/45/19/23/406451923.db2.gz GOQBUJSHZBNDOE-UHFFFAOYSA-N 1 0 302.827 2.372 10 0 DEAERO CN(Cc1cccs1)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637880042 406460231 /nfs/dbraw/zinc/46/02/31/406460231.db2.gz AEZSTJDZGTUHJZ-MRXNPFEDSA-N 1 0 317.458 2.166 10 0 DEAERO CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)C2 ZINC000526010067 406532510 /nfs/dbraw/zinc/53/25/10/406532510.db2.gz NFFYGVBIAGLKDH-HZSPNIEDSA-N 1 0 318.465 2.189 10 0 DEAERO C[C@@H](NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000637989999 406512543 /nfs/dbraw/zinc/51/25/43/406512543.db2.gz CPMCTOWDFFOGTR-PBHICJAKSA-N 1 0 303.450 2.141 10 0 DEAERO CC(C)C[C@@H]1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000637992955 406514530 /nfs/dbraw/zinc/51/45/30/406514530.db2.gz WIKGQGAJQYUMEJ-ZWKOTPCHSA-N 1 0 317.477 2.340 10 0 DEAERO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638006996 406520525 /nfs/dbraw/zinc/52/05/25/406520525.db2.gz JYQDPKVVNOAYFV-DJIMGWMZSA-N 1 0 303.450 2.093 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000527247603 406604298 /nfs/dbraw/zinc/60/42/98/406604298.db2.gz FUEDHCXPDOYBOD-MGPQQGTHSA-N 1 0 318.465 2.237 10 0 DEAERO COC1(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CCCCC1 ZINC000548989851 406571210 /nfs/dbraw/zinc/57/12/10/406571210.db2.gz QYWMFKBLDYVNGX-CVEARBPZSA-N 1 0 311.466 2.493 10 0 DEAERO COc1nsc(C[NH2+][C@H](CO)CC(C)C)c1Br ZINC000638413217 406756875 /nfs/dbraw/zinc/75/68/75/406756875.db2.gz YGLHSDVTFCILNM-QMMMGPOBSA-N 1 0 323.256 2.411 10 0 DEAERO C[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000643619841 407017933 /nfs/dbraw/zinc/01/79/33/407017933.db2.gz HRXVOBKNXBSCSB-ONGXEEELSA-N 1 0 317.216 2.407 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643619041 407018059 /nfs/dbraw/zinc/01/80/59/407018059.db2.gz JXJAKLWCSVLLTC-NSHDSACASA-N 1 0 317.216 2.188 10 0 DEAERO C[NH2+][C@@H]1CCN(C(=O)c2cc(Br)cn2C2CC2)C1 ZINC000128948763 196006159 /nfs/dbraw/zinc/00/61/59/196006159.db2.gz OIIUXXRNGWRHPE-SNVBAGLBSA-N 1 0 312.211 2.019 10 0 DEAERO CC(C)NC(=[NH2+])NCc1cc(Br)cc2c1OCC2 ZINC000129203749 196028022 /nfs/dbraw/zinc/02/80/22/196028022.db2.gz CLTKPAXERVTHMH-UHFFFAOYSA-N 1 0 312.211 2.406 10 0 DEAERO [NH3+][C@@H](CNC(=O)c1cccc(F)c1Br)C1CC1 ZINC000129235896 196030709 /nfs/dbraw/zinc/03/07/09/196030709.db2.gz VQJHNOUSFGXYTB-JTQLQIEISA-N 1 0 301.159 2.055 10 0 DEAERO COc1cccc(CNC(=O)NCC[NH+](C(C)C)C(C)C)n1 ZINC000129393230 196043841 /nfs/dbraw/zinc/04/38/41/196043841.db2.gz LLAMHIMTEIMVAN-UHFFFAOYSA-N 1 0 308.426 2.008 10 0 DEAERO COc1cc2c(cc1C[NH2+]CC[C@H](C)[S@](C)=O)O[C@@H](C)C2 ZINC000129396137 196044959 /nfs/dbraw/zinc/04/49/59/196044959.db2.gz JEBUFYQRDAUQBC-QSRBQVKKSA-N 1 0 311.447 2.265 10 0 DEAERO CC[C@@](C)(C[NH3+])C(=O)Nc1ncc(Br)cc1C ZINC000129609231 196061523 /nfs/dbraw/zinc/06/15/23/196061523.db2.gz HTNOBKNQSZMZNE-LBPRGKRZSA-N 1 0 300.200 2.466 10 0 DEAERO COC[C@@H](C)[NH2+]CCOc1ccc(OC)cc1Br ZINC000129642305 196063763 /nfs/dbraw/zinc/06/37/63/196063763.db2.gz GUAGEPGDZYZZRC-SNVBAGLBSA-N 1 0 318.211 2.461 10 0 DEAERO C[NH2+][C@@H]1C[C@H](Oc2ccc(OC)cc2Br)[C@@H]1OC ZINC000129668986 196067097 /nfs/dbraw/zinc/06/70/97/196067097.db2.gz KBXULGTTYDJOPR-KGYLQXTDSA-N 1 0 316.195 2.212 10 0 DEAERO CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H](C)CC[S@](C)=O ZINC000129827685 196079238 /nfs/dbraw/zinc/07/92/38/196079238.db2.gz WVJDEEKAEVNHSO-AUSJPIAWSA-N 1 0 300.512 2.386 10 0 DEAERO CCO[C@@H]([C@@H]([NH3+])Cc1c(Br)c(C)nn1C)C1CC1 ZINC000129841266 196079683 /nfs/dbraw/zinc/07/96/83/196079683.db2.gz ASMQQOMJSSAZGH-GXFFZTMASA-N 1 0 316.243 2.176 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@@H](C)CC[NH3+])c1 ZINC000130551340 196089543 /nfs/dbraw/zinc/08/95/43/196089543.db2.gz WHCINMFHLKIVLH-QMMMGPOBSA-N 1 0 301.184 2.381 10 0 DEAERO CC(C)[NH2+][C@@](C)(CCCCSc1ncns1)C(N)=O ZINC000130595947 196094168 /nfs/dbraw/zinc/09/41/68/196094168.db2.gz RQDAESJPGDSJPG-LBPRGKRZSA-N 1 0 302.469 2.043 10 0 DEAERO CC[NH+]1CCC(N(C)c2cc(OC)ccc2C(N)=S)CC1 ZINC000130597501 196094242 /nfs/dbraw/zinc/09/42/42/196094242.db2.gz CXEHBJBJTATYFV-UHFFFAOYSA-N 1 0 307.463 2.250 10 0 DEAERO C[C@@H](CN1C(=O)C2(CC2)N[C@H]1c1ccsc1)[NH+]1CCCC1 ZINC000130755592 196107456 /nfs/dbraw/zinc/10/74/56/196107456.db2.gz BDWBZDYJDFLQKI-GXTWGEPZSA-N 1 0 305.447 2.195 10 0 DEAERO CC[NH2+]C[C@H]1COCCN1Cc1ccc(Br)cc1 ZINC000130810022 196111948 /nfs/dbraw/zinc/11/19/48/196111948.db2.gz VBVVBSMCPOFYLT-AWEZNQCLSA-N 1 0 313.239 2.259 10 0 DEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)NCCCC(F)(F)F)cc1 ZINC000130867077 196118080 /nfs/dbraw/zinc/11/80/80/196118080.db2.gz JDYNTFJSJWUHBD-SECBINFHSA-N 1 0 310.341 2.327 10 0 DEAERO Cc1nc(-c2ncccc2Br)nc2c1C[NH2+]CC2 ZINC000130898918 196120697 /nfs/dbraw/zinc/12/06/97/196120697.db2.gz LEKIYGMLEKFYMI-UHFFFAOYSA-N 1 0 305.179 2.255 10 0 DEAERO CC(C)C[C@H](C)OC[C@@H](O)C[NH2+]CC1(CO)CCCCC1 ZINC000130932731 196124217 /nfs/dbraw/zinc/12/42/17/196124217.db2.gz RFONRTUVBQXKAK-HOTGVXAUSA-N 1 0 301.471 2.331 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1ccc(OC)cc1F ZINC000131012828 196131597 /nfs/dbraw/zinc/13/15/97/196131597.db2.gz KMMIDEMVCLXUFD-AWEZNQCLSA-N 1 0 303.399 2.310 10 0 DEAERO CCC[NH2+][C@](C)(C[C@H](C)Sc1nc(CC)ns1)C(N)=O ZINC000131053649 196135465 /nfs/dbraw/zinc/13/54/65/196135465.db2.gz AOPORSWYZAEMNH-TVQRCGJNSA-N 1 0 316.496 2.215 10 0 DEAERO C[NH2+][C@H](CCCS(C)(=O)=O)c1cc(Cl)ccc1OC ZINC000131078901 196138105 /nfs/dbraw/zinc/13/81/05/196138105.db2.gz DFYCUEHJJXNLFG-GFCCVEGCSA-N 1 0 305.827 2.434 10 0 DEAERO CCc1nn([C@@H]2CCS(=O)(=O)C2)c(CC)c1[C@@H](CC)[NH2+]C ZINC000131084440 196138993 /nfs/dbraw/zinc/13/89/93/196138993.db2.gz WOANRUYZTDRROE-VXGBXAGGSA-N 1 0 313.467 2.038 10 0 DEAERO CCC[NH2+][C@](C)(CCCSc1nc(CC)ns1)C(N)=O ZINC000131039532 196134989 /nfs/dbraw/zinc/13/49/89/196134989.db2.gz YYGMKDQPVJQSOY-CYBMUJFWSA-N 1 0 316.496 2.216 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)Nc1nc(N)ncc1Br ZINC000131178137 196148002 /nfs/dbraw/zinc/14/80/02/196148002.db2.gz UXIRWXXJJJDHSD-VIFPVBQESA-N 1 0 316.247 2.210 10 0 DEAERO C[NH2+]Cc1cccc(S(=O)(=O)NCCCC(F)(F)F)c1 ZINC000131229444 196152627 /nfs/dbraw/zinc/15/26/27/196152627.db2.gz XMFCAUMKRTUAEC-UHFFFAOYSA-N 1 0 310.341 2.027 10 0 DEAERO COc1ccc2c(N)c(C(=O)N(C)CC[NH+](C)C)sc2c1 ZINC000131256708 196153929 /nfs/dbraw/zinc/15/39/29/196153929.db2.gz MMRXJLUUAGHADP-UHFFFAOYSA-N 1 0 307.419 2.126 10 0 DEAERO Cc1nc([C@H]2CCS(=O)(=O)C2)sc1C[NH2+]C(C)(C)C ZINC000131268896 196154801 /nfs/dbraw/zinc/15/48/01/196154801.db2.gz KUCOQQUQKIFTBG-JTQLQIEISA-N 1 0 302.465 2.242 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])c1cc(F)ccc1Br ZINC000131322661 196159756 /nfs/dbraw/zinc/15/97/56/196159756.db2.gz KPRFPYCPQXWTOS-NSHDSACASA-N 1 0 324.215 2.413 10 0 DEAERO C[NH2+][C@@H](c1ncccc1F)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000131548030 196178384 /nfs/dbraw/zinc/17/83/84/196178384.db2.gz GYAPQBMIGZPOMF-GMXVVIOVSA-N 1 0 300.399 2.085 10 0 DEAERO O=C(Nc1ccc(Cl)cc1Br)[C@@H]1C[NH2+]CCO1 ZINC000131554233 196179105 /nfs/dbraw/zinc/17/91/05/196179105.db2.gz WLEBIWYCNXRXMB-JTQLQIEISA-N 1 0 319.586 2.029 10 0 DEAERO CS[C@@H](C)CCNS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000131612760 196184257 /nfs/dbraw/zinc/18/42/57/196184257.db2.gz IEAYTXIJWQZLJY-NSHDSACASA-N 1 0 320.480 2.198 10 0 DEAERO COc1ccc([C@H]([NH3+])Cc2cnn(C)c2)cc1Br ZINC000131678607 196191372 /nfs/dbraw/zinc/19/13/72/196191372.db2.gz LWZWUPWPXUZQAI-GFCCVEGCSA-N 1 0 310.195 2.434 10 0 DEAERO CC(C)n1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)cc1C[NH3+] ZINC000131749838 196196359 /nfs/dbraw/zinc/19/63/59/196196359.db2.gz PAZWBKDZDVOTHU-STQMWFEESA-N 1 0 313.467 2.194 10 0 DEAERO COC[C@H](C)[C@H](C[NH3+])N1CCN(c2cccc(Cl)c2)CC1 ZINC000131927567 196210494 /nfs/dbraw/zinc/21/04/94/196210494.db2.gz RPBLDIDJDGVALO-BBRMVZONSA-N 1 0 311.857 2.072 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccccc2SC(F)F)CCOCC1 ZINC000132060024 196222735 /nfs/dbraw/zinc/22/27/35/196222735.db2.gz VMPWGESVUMHJRY-UHFFFAOYSA-N 1 0 302.346 2.448 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000132175112 196232626 /nfs/dbraw/zinc/23/26/26/196232626.db2.gz FEEWEBRKMZJCSD-HUUCEWRRSA-N 1 0 311.470 2.049 10 0 DEAERO C[NH2+][C@H](C)c1ccc(O[C@@H](C)C(=O)NCCOC)c(Cl)c1 ZINC000132378598 196250953 /nfs/dbraw/zinc/25/09/53/196250953.db2.gz KJWWKDSHEJDWDG-MNOVXSKESA-N 1 0 314.813 2.150 10 0 DEAERO CCOc1cccc(C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1 ZINC000132389154 196251702 /nfs/dbraw/zinc/25/17/02/196251702.db2.gz JOCIVJPAOHGKEO-JTQLQIEISA-N 1 0 304.312 2.242 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(OCC(=O)NCCOC)c(Cl)c1 ZINC000132424642 196254155 /nfs/dbraw/zinc/25/41/55/196254155.db2.gz YDUYAIDDOJHODX-NSHDSACASA-N 1 0 314.813 2.152 10 0 DEAERO Cc1ncc(CN2CCN(CC[NH+]3CCCCC3)CC2)s1 ZINC000132281787 196241768 /nfs/dbraw/zinc/24/17/68/196241768.db2.gz SPIJEMGXAPHZMH-UHFFFAOYSA-N 1 0 308.495 2.055 10 0 DEAERO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(CC)c(CC)o1 ZINC000132278861 196241980 /nfs/dbraw/zinc/24/19/80/196241980.db2.gz JCRCUKUISRZCAR-CQSZACIVSA-N 1 0 310.438 2.491 10 0 DEAERO CC(C)N(CCC[NH3+])c1nccn2nc(C(F)(F)F)cc12 ZINC000132289945 196242077 /nfs/dbraw/zinc/24/20/77/196242077.db2.gz JFYCFIMXWIPSGN-UHFFFAOYSA-N 1 0 301.316 2.312 10 0 DEAERO C[C@@H]1N[C@H](c2ccsc2)N(CC2([NH+](C)C)CCCC2)C1=O ZINC000132432477 196255265 /nfs/dbraw/zinc/25/52/65/196255265.db2.gz HDPREQFGVWISIV-JSGCOSHPSA-N 1 0 307.463 2.441 10 0 DEAERO CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccoc1C ZINC000132754408 196280823 /nfs/dbraw/zinc/28/08/23/196280823.db2.gz JUOKRHYEFQHLPI-HIFRSBDPSA-N 1 0 314.451 2.300 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](COCc2ccc(F)cc2Br)O1 ZINC000132805515 196285120 /nfs/dbraw/zinc/28/51/20/196285120.db2.gz BVTQDPFCPNCNHB-JOYOIKCWSA-N 1 0 318.186 2.482 10 0 DEAERO CC(C)n1ncc(Br)c1C1(O)CCC([NH3+])CC1 ZINC000132889939 196293140 /nfs/dbraw/zinc/29/31/40/196293140.db2.gz HJTNYHYOMFJNBC-UHFFFAOYSA-N 1 0 302.216 2.315 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000245748380 287269745 /nfs/dbraw/zinc/26/97/45/287269745.db2.gz AMJFGYXVTPPNLM-FPCVCCKLSA-N 1 0 309.454 2.118 10 0 DEAERO COc1cc(C)cc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000132964841 196300097 /nfs/dbraw/zinc/30/00/97/196300097.db2.gz DNRAVWFBAXPPHA-INIZCTEOSA-N 1 0 315.417 2.159 10 0 DEAERO C[C@@](O)(C[NH3+])Cc1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000133001847 196303309 /nfs/dbraw/zinc/30/33/09/196303309.db2.gz YRYUFYGCNYFXSU-LBPRGKRZSA-N 1 0 302.161 2.296 10 0 DEAERO C[NH2+][C@@H](CC[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000133072151 196308870 /nfs/dbraw/zinc/30/88/70/196308870.db2.gz YFOASTVOLMIALI-ZFWWWQNUSA-N 1 0 302.484 2.216 10 0 DEAERO O[C@H](Cc1ccc(F)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000133109597 196312470 /nfs/dbraw/zinc/31/24/70/196312470.db2.gz OPEHFMFXQHVIJZ-GXFFZTMASA-N 1 0 302.187 2.491 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@]1(O)CCC[C@@H]([NH3+])C1 ZINC000133307487 196329633 /nfs/dbraw/zinc/32/96/33/196329633.db2.gz UFDLZGFDZSBAJJ-MFKMUULPSA-N 1 0 316.243 2.149 10 0 DEAERO CC(=O)NC1CCN([C@@H](c2ccc(Cl)s2)[C@@H](C)[NH3+])CC1 ZINC000133741815 196332803 /nfs/dbraw/zinc/33/28/03/196332803.db2.gz GRCLYWMNXIZZMV-YMTOWFKASA-N 1 0 315.870 2.390 10 0 DEAERO COCCn1c(C[NH3+])nnc1-c1cccc(Cl)c1Cl ZINC000133802558 196336377 /nfs/dbraw/zinc/33/63/77/196336377.db2.gz SHKOWMSZFYREMZ-UHFFFAOYSA-N 1 0 301.177 2.357 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)Cc2ccc(O)cc2)ccc1F ZINC000133812650 196338109 /nfs/dbraw/zinc/33/81/09/196338109.db2.gz QNLAGQZKSIXONZ-UHFFFAOYSA-N 1 0 316.376 2.452 10 0 DEAERO CCOC(=O)Cc1csc(NC[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000133869627 196341466 /nfs/dbraw/zinc/34/14/66/196341466.db2.gz PXEQIGZQIHADKA-LBPRGKRZSA-N 1 0 311.451 2.391 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000134039204 196356003 /nfs/dbraw/zinc/35/60/03/196356003.db2.gz GFOZJHAAVKFSAQ-IUCAKERBSA-N 1 0 300.200 2.046 10 0 DEAERO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cc(Br)ccc1N(C)C ZINC000134096740 196360785 /nfs/dbraw/zinc/36/07/85/196360785.db2.gz AOCUUPSSJDPQHN-DTWKUNHWSA-N 1 0 314.227 2.437 10 0 DEAERO CC[NH2+][C@H](c1c(Cl)cnn1CCOC)[C@@H]1CO[C@@H](C)C1 ZINC000134095731 196361121 /nfs/dbraw/zinc/36/11/21/196361121.db2.gz MHJHLLMXAADIFD-GVXVVHGQSA-N 1 0 301.818 2.259 10 0 DEAERO [NH3+][C@H](Cc1ccc(Cl)cc1F)[C@H]1CCCCS1(=O)=O ZINC000134222764 196372024 /nfs/dbraw/zinc/37/20/24/196372024.db2.gz LGYXDICJTJWYQH-CHWSQXEVSA-N 1 0 305.802 2.316 10 0 DEAERO Cc1cc(NC(=O)CC[C@@H]2CC[NH2+]C2)ncc1Br ZINC000134586101 196403653 /nfs/dbraw/zinc/40/36/53/196403653.db2.gz RQBJRVFTGVAIBQ-SNVBAGLBSA-N 1 0 312.211 2.481 10 0 DEAERO [NH3+][C@H]1CSC[C@H]1c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000134818284 196421622 /nfs/dbraw/zinc/42/16/22/196421622.db2.gz JWSWWABHRXUJEC-MUWHJKNJSA-N 1 0 301.293 2.312 10 0 DEAERO O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccccc1F ZINC000150767916 196583008 /nfs/dbraw/zinc/58/30/08/196583008.db2.gz BLHUDTLDTPEQEJ-CQSZACIVSA-N 1 0 305.397 2.182 10 0 DEAERO CCn1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)ccc1=O ZINC000178689210 224870117 /nfs/dbraw/zinc/87/01/17/224870117.db2.gz PBJIXCTYBSEIET-UHFFFAOYSA-N 1 0 320.437 2.110 10 0 DEAERO C[NH+](C)CCN(C(=O)NC[C@H]1CCC(C)(C)O1)C1CCCC1 ZINC000188225207 225014363 /nfs/dbraw/zinc/01/43/63/225014363.db2.gz ZARMQIQANWTFPD-OAHLLOKOSA-N 1 0 311.470 2.460 10 0 DEAERO COCC[N@H+](C)CCCNc1cc(N2CCC[C@H](C)C2)ncn1 ZINC000189427302 225051628 /nfs/dbraw/zinc/05/16/28/225051628.db2.gz ZRMIMIINDYOILW-HNNXBMFYSA-N 1 0 321.469 2.093 10 0 DEAERO C[C@@H]1CN(Cc2ccccc2OC(F)(F)F)CC[N@@H+]1CCO ZINC000190248746 225078701 /nfs/dbraw/zinc/07/87/01/225078701.db2.gz OXVRHGZZHXFAGA-GFCCVEGCSA-N 1 0 318.339 2.084 10 0 DEAERO C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000192752081 225141170 /nfs/dbraw/zinc/14/11/70/225141170.db2.gz PRYPGSZAPTZPEV-LLVKDONJSA-N 1 0 314.223 2.425 10 0 DEAERO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000248948862 225241495 /nfs/dbraw/zinc/24/14/95/225241495.db2.gz CUGCKDAOHSXBAI-DUVNUKRYSA-N 1 0 318.417 2.018 10 0 DEAERO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000572083598 292593137 /nfs/dbraw/zinc/59/31/37/292593137.db2.gz OVXJCGITDKOZDR-WOPDTQHZSA-N 1 0 300.424 2.132 10 0 DEAERO C[C@H](CC(=O)N1CC[NH+](C2CCCC2)CC1)c1cnn(C)c1 ZINC000411330814 227388536 /nfs/dbraw/zinc/38/85/36/227388536.db2.gz XQZOUGRDHCSOPE-CQSZACIVSA-N 1 0 304.438 2.001 10 0 DEAERO CC(=O)N(Cc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc1)C1CC1 ZINC000572148541 292598855 /nfs/dbraw/zinc/59/88/55/292598855.db2.gz IOLNJTRLCJRRQT-GOSISDBHSA-N 1 0 315.417 2.278 10 0 DEAERO CC1(C)CCC[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000572424249 292618436 /nfs/dbraw/zinc/61/84/36/292618436.db2.gz BBMMVVPEJBGPRE-KBPBESRZSA-N 1 0 302.484 2.216 10 0 DEAERO Cc1ccc(CN(C)c2cc(-n3cccn3)nc(N)[nH+]2)cc1F ZINC000302656701 230335007 /nfs/dbraw/zinc/33/50/07/230335007.db2.gz DBIHBATZTUDSRR-UHFFFAOYSA-N 1 0 312.352 2.328 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](Nc2cc[nH]n2)C1 ZINC000616601632 422517811 /nfs/dbraw/zinc/51/78/11/422517811.db2.gz JBJMUKPEJQOBEH-ZDUSSCGKSA-N 1 0 323.441 2.201 10 0 DEAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000037296281 424807193 /nfs/dbraw/zinc/80/71/93/424807193.db2.gz XXBAEFFBHXKEMX-OAHLLOKOSA-N 1 0 309.841 2.362 10 0 DEAERO CCCc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)[nH]n1 ZINC000049074375 424835868 /nfs/dbraw/zinc/83/58/68/424835868.db2.gz JESTXIVGOAULSC-UHFFFAOYSA-N 1 0 304.438 2.310 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000105881607 424849613 /nfs/dbraw/zinc/84/96/13/424849613.db2.gz FEPIKBRKWVDICC-HNNXBMFYSA-N 1 0 300.406 2.425 10 0 DEAERO Cn1cc(CN2CCC[N@H+](CCOc3ccccc3)CC2)cn1 ZINC000105869035 424849691 /nfs/dbraw/zinc/84/96/91/424849691.db2.gz NQBJOIINLNOXPU-UHFFFAOYSA-N 1 0 314.433 2.007 10 0 DEAERO CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876260 424849733 /nfs/dbraw/zinc/84/97/33/424849733.db2.gz GHGLROMVLHOOQK-HNNXBMFYSA-N 1 0 320.481 2.225 10 0 DEAERO c1ccc2c(c1)oc1c2ncnc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363197131 424854789 /nfs/dbraw/zinc/85/47/89/424854789.db2.gz HWTZBUIQVFSLFA-OLZOCXBDSA-N 1 0 324.384 2.651 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)CSCc2ccccn2)CC1 ZINC000193910422 424872111 /nfs/dbraw/zinc/87/21/11/424872111.db2.gz RWYMHJCVFJNHEG-UHFFFAOYSA-N 1 0 307.463 2.304 10 0 DEAERO C(C1CC1)[NH+]1CCC(Nc2nnc(C3CCOCC3)s2)CC1 ZINC000549106366 424873389 /nfs/dbraw/zinc/87/33/89/424873389.db2.gz XKHSWHVFYUHDID-UHFFFAOYSA-N 1 0 322.478 2.718 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccnc2N2CCCC2)C1 ZINC000194341479 424874776 /nfs/dbraw/zinc/87/47/76/424874776.db2.gz DEAYOBUMOUHLPM-AWEZNQCLSA-N 1 0 317.437 2.288 10 0 DEAERO Brc1ccc2c(c1)CC[C@H]2[NH2+]C1COCCOC1 ZINC000386320131 424911416 /nfs/dbraw/zinc/91/14/16/424911416.db2.gz KRXXKAKRSZGNMZ-CQSZACIVSA-N 1 0 312.207 2.441 10 0 DEAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+]C1COCCOC1 ZINC000386320128 424911454 /nfs/dbraw/zinc/91/14/54/424911454.db2.gz KRXXKAKRSZGNMZ-AWEZNQCLSA-N 1 0 312.207 2.441 10 0 DEAERO Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nn1C(C)C ZINC000333888804 424924158 /nfs/dbraw/zinc/92/41/58/424924158.db2.gz WNWYTCOVKVGTPE-GOOCMWNKSA-N 1 0 319.453 2.909 10 0 DEAERO O[C@]1(CC[NH2+]Cc2ccccc2Br)CCOC1 ZINC000404196264 424925968 /nfs/dbraw/zinc/92/59/68/424925968.db2.gz INNHSOLTTKPMDM-CYBMUJFWSA-N 1 0 300.196 2.080 10 0 DEAERO Brc1ccsc1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404248875 424926026 /nfs/dbraw/zinc/92/60/26/424926026.db2.gz IAAQEXKYBAOGIW-MNOVXSKESA-N 1 0 317.252 2.073 10 0 DEAERO CC(C)(O)CCN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404215316 424926030 /nfs/dbraw/zinc/92/60/30/424926030.db2.gz SRQFPUVPQLIDGJ-ZWKOTPCHSA-N 1 0 318.461 2.123 10 0 DEAERO CCO[C@@H]1CN(Cc2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000405466972 424931655 /nfs/dbraw/zinc/93/16/55/424931655.db2.gz UAAKNZBBUINYTG-MWLCHTKSSA-N 1 0 319.268 2.306 10 0 DEAERO CCO[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1C[NH3+] ZINC000405836372 424931829 /nfs/dbraw/zinc/93/18/29/424931829.db2.gz CTKYDAXOKWUJHZ-ZWNOBZJWSA-N 1 0 317.216 2.429 10 0 DEAERO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000571620665 424932717 /nfs/dbraw/zinc/93/27/17/424932717.db2.gz VEGYNTZCRIILCZ-QWHCGFSZSA-N 1 0 320.437 3.063 10 0 DEAERO CN1C(=O)[C@H]2[C@H](C(C)(C)C)[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000409432576 424934629 /nfs/dbraw/zinc/93/46/29/424934629.db2.gz WAFDDGAFIVSKDW-RBSFLKMASA-N 1 0 300.402 2.148 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2ccc(F)cc2Br)CC1=O ZINC000657697640 425387123 /nfs/dbraw/zinc/38/71/23/425387123.db2.gz QTDPBLNCJHKLGC-VIFPVBQESA-N 1 0 315.186 2.156 10 0 DEAERO Cc1ccc(CN(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)s1 ZINC000653086409 425400126 /nfs/dbraw/zinc/40/01/26/425400126.db2.gz QKAXNDQQNUWSCI-GHMZBOCLSA-N 1 0 306.353 2.413 10 0 DEAERO O=C1NCC[C@H]1[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000658053915 425430946 /nfs/dbraw/zinc/43/09/46/425430946.db2.gz ZVGIPBFZURDNFH-KGPNIALWSA-N 1 0 309.207 2.173 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000189343293 267693569 /nfs/dbraw/zinc/69/35/69/267693569.db2.gz DSSTYQZTXPCALO-GXSJLCMTSA-N 1 0 305.296 2.422 10 0 DEAERO C[C@@H](NC(=O)Nc1cccc2c1OCCC2=O)[C@H]1CCC[NH2+]C1 ZINC000333185677 268899693 /nfs/dbraw/zinc/89/96/93/268899693.db2.gz SWYZEYGQQJVBQP-NEPJUHHUSA-N 1 0 317.389 2.161 10 0 DEAERO Cc1cc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)cn2ccnc12 ZINC000333319632 268925611 /nfs/dbraw/zinc/92/56/11/268925611.db2.gz MUOBHGIRXYOCMT-ZDUSSCGKSA-N 1 0 301.394 2.152 10 0 DEAERO C[C@@H](C1CC1)n1nccc1NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000333370446 268934469 /nfs/dbraw/zinc/93/44/69/268934469.db2.gz UXAUBSOQCMDWFY-JSGCOSHPSA-N 1 0 305.426 2.460 10 0 DEAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000333456157 268948728 /nfs/dbraw/zinc/94/87/28/268948728.db2.gz OQYGNZVXYRDARK-SMKXDYDZSA-N 1 0 304.438 2.156 10 0 DEAERO C[C@]1(F)C[NH2+]CCN(c2cncc(OCC3CCCC3)n2)C1 ZINC000333919044 269004481 /nfs/dbraw/zinc/00/44/81/269004481.db2.gz OSHNRIBSWKQCMJ-INIZCTEOSA-N 1 0 308.401 2.183 10 0 DEAERO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000333926503 269004769 /nfs/dbraw/zinc/00/47/69/269004769.db2.gz VLWCQODTPVTOGB-KKUMJFAQSA-N 1 0 309.417 2.329 10 0 DEAERO Cc1nc(-c2cccnc2)nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000333924922 269005073 /nfs/dbraw/zinc/00/50/73/269005073.db2.gz UAXMTWURFMFVHV-HRCADAONSA-N 1 0 309.417 2.329 10 0 DEAERO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1csnn1 ZINC000334109803 269020203 /nfs/dbraw/zinc/02/02/03/269020203.db2.gz ATLKICQDBHBDMS-QWHCGFSZSA-N 1 0 323.466 2.259 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000121200155 273640995 /nfs/dbraw/zinc/64/09/95/273640995.db2.gz RUHMRZNXZPKUGD-CJNGLKHVSA-N 1 0 323.437 2.401 10 0 DEAERO CN1CCOc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc21 ZINC000246257177 273907994 /nfs/dbraw/zinc/90/79/94/273907994.db2.gz KNCZLXGMEVIIGE-YUELXQCFSA-N 1 0 315.417 2.374 10 0 DEAERO C[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000237277639 273958582 /nfs/dbraw/zinc/95/85/82/273958582.db2.gz BLYKBVCMFXRZAU-UHFFFAOYSA-N 1 0 301.312 2.464 10 0 DEAERO C[C@@H](CC(N)=O)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000135720384 274207778 /nfs/dbraw/zinc/20/77/78/274207778.db2.gz NRCUUTALIDQMPU-GZMMTYOYSA-N 1 0 313.195 2.126 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)o1 ZINC000083550345 274374238 /nfs/dbraw/zinc/37/42/38/274374238.db2.gz UISOAWGHZJELHW-NXEZZACHSA-N 1 0 313.195 2.351 10 0 DEAERO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000263228079 274451956 /nfs/dbraw/zinc/45/19/56/274451956.db2.gz NBMFXVXAPCBBHF-CRAIPNDOSA-N 1 0 316.449 2.074 10 0 DEAERO Cc1ccccc1[C@H](C)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000128094540 274810388 /nfs/dbraw/zinc/81/03/88/274810388.db2.gz ZSJKJYZTCWSOFZ-HNNXBMFYSA-N 1 0 322.416 2.316 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc2c1OCCO2 ZINC000124095676 275584702 /nfs/dbraw/zinc/58/47/02/275584702.db2.gz HJLRWNOICAMLDK-ZDUSSCGKSA-N 1 0 306.406 2.164 10 0 DEAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@H](C)CS(=O)(=O)c2ccccc2)C1 ZINC000245921910 275650638 /nfs/dbraw/zinc/65/06/38/275650638.db2.gz YAMUUOOIEFKCSK-ZMSDIMECSA-N 1 0 324.490 2.167 10 0 DEAERO CC(C)c1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c(O)c1 ZINC000408413809 276049281 /nfs/dbraw/zinc/04/92/81/276049281.db2.gz IOUYCTRWOXLMCE-RDJZCZTQSA-N 1 0 318.417 2.061 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000123372260 276183173 /nfs/dbraw/zinc/18/31/73/276183173.db2.gz NEUYHQCXAXZGEW-KRWDZBQOSA-N 1 0 313.449 2.492 10 0 DEAERO CC1CCC([N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000176627781 276189820 /nfs/dbraw/zinc/18/98/20/276189820.db2.gz OEMIVBUTASOWKL-SHARSMKWSA-N 1 0 302.484 2.169 10 0 DEAERO CCOC[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C(C)C ZINC000189520853 276329350 /nfs/dbraw/zinc/32/93/50/276329350.db2.gz YFZOCZJBBBLKML-SJORKVTESA-N 1 0 306.450 2.337 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000415261280 276948572 /nfs/dbraw/zinc/94/85/72/276948572.db2.gz GNNCHQMUCLHDFQ-MLGOLLRUSA-N 1 0 318.421 2.403 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]12 ZINC000248613057 277203053 /nfs/dbraw/zinc/20/30/53/277203053.db2.gz QWFPVCASPOUXOD-RBSFLKMASA-N 1 0 320.437 2.118 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)/N=c1/sccn1Cc1ccccc1F ZINC000193289933 277597137 /nfs/dbraw/zinc/59/71/37/277597137.db2.gz VPSCBOYVFLOENR-AFMLGWFNSA-N 1 0 307.394 2.292 10 0 DEAERO CC(C)n1nnnc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171502518 278154763 /nfs/dbraw/zinc/15/47/63/278154763.db2.gz SHIQWJJKIFYFTB-INIZCTEOSA-N 1 0 320.485 2.342 10 0 DEAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1nnc2ccccc2n1 ZINC000329601120 278188451 /nfs/dbraw/zinc/18/84/51/278188451.db2.gz XLDOGGCHKVLFAF-CYBMUJFWSA-N 1 0 313.405 2.019 10 0 DEAERO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC[N@@H+](C2CC2)CC1 ZINC000246223863 278209983 /nfs/dbraw/zinc/20/99/83/278209983.db2.gz ZYHOOUHVXDWADJ-HLLBOEOZSA-N 1 0 307.482 2.240 10 0 DEAERO CC1(C)CC[C@H](NC(=O)C2([NH3+])CCOCC2)c2ccccc21 ZINC000261829311 278280334 /nfs/dbraw/zinc/28/03/34/278280334.db2.gz KSXUTAQYLGIOTK-HNNXBMFYSA-N 1 0 302.418 2.423 10 0 DEAERO CC1(C)C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c2cc(N)ccc2O1 ZINC000261878323 278365540 /nfs/dbraw/zinc/36/55/40/278365540.db2.gz TVYFUWTUZZGMDR-UXIGCNINSA-N 1 0 317.433 2.362 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(C)cccc1F ZINC000185021050 279301806 /nfs/dbraw/zinc/30/18/06/279301806.db2.gz PVKACIQSAQDUBA-CYBMUJFWSA-N 1 0 314.426 2.239 10 0 DEAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000262422462 279397928 /nfs/dbraw/zinc/39/79/28/279397928.db2.gz VFMHSUIZPCGZFE-CYBMUJFWSA-N 1 0 319.453 2.437 10 0 DEAERO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)[C@@H]1CCCO1 ZINC000183165920 279461213 /nfs/dbraw/zinc/46/12/13/279461213.db2.gz YXKSQVGYCZCEGV-JQWIXIFHSA-N 1 0 321.402 2.499 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C12CCC2 ZINC000262446618 279859300 /nfs/dbraw/zinc/85/93/00/279859300.db2.gz DCLWYKWUJCIXMZ-XFIYOXNOSA-N 1 0 306.450 2.371 10 0 DEAERO CC[C@@H](C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)[NH+](C)C ZINC000408472461 280069574 /nfs/dbraw/zinc/06/95/74/280069574.db2.gz VJCXIVHJJCIYNO-KBPBESRZSA-N 1 0 319.453 2.008 10 0 DEAERO CC[C@H]1CCc2nc(NC(=O)C3([NH3+])CCOCC3)sc2C1 ZINC000261909387 281122161 /nfs/dbraw/zinc/12/21/61/281122161.db2.gz SVJQNTIYBQZCOD-JTQLQIEISA-N 1 0 309.435 2.104 10 0 DEAERO Cc1ccc2[nH+]ccc(N3CCCN(S(C)(=O)=O)CC3)c2c1 ZINC000302170482 281168845 /nfs/dbraw/zinc/16/88/45/281168845.db2.gz UHSGFFVVAKYDHP-UHFFFAOYSA-N 1 0 319.430 2.015 10 0 DEAERO Cc1cccc2c(O)c(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cnc12 ZINC000185312323 281267466 /nfs/dbraw/zinc/26/74/66/281267466.db2.gz PMHOXNWBNIWXEI-CYBMUJFWSA-N 1 0 311.385 2.169 10 0 DEAERO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H](C)CO)CC1 ZINC000080148850 281595828 /nfs/dbraw/zinc/59/58/28/281595828.db2.gz CADNJKSUJMYGHA-GJZGRUSLSA-N 1 0 313.486 2.061 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000128012122 281872659 /nfs/dbraw/zinc/87/26/59/281872659.db2.gz RLWYSHPGZSWZJJ-IBGZPJMESA-N 1 0 315.461 2.280 10 0 DEAERO CCc1nc(CC(=O)NC2CCC(C[NH+](C)C)CC2)cs1 ZINC000129429266 281912363 /nfs/dbraw/zinc/91/23/63/281912363.db2.gz CSOPNGLBCCCVLT-UHFFFAOYSA-N 1 0 309.479 2.485 10 0 DEAERO CN(C)C(=O)N1CCC([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000341870124 281950187 /nfs/dbraw/zinc/95/01/87/281950187.db2.gz AYPYSHHRQRABJN-INIZCTEOSA-N 1 0 302.422 2.268 10 0 DEAERO CN(C)C(=O)c1cccc(CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000365497280 282009146 /nfs/dbraw/zinc/00/91/46/282009146.db2.gz XCZHWCKTKRSQIE-ULQDDVLXSA-N 1 0 316.445 2.334 10 0 DEAERO Cc1c(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)cnn1C ZINC000133636108 282020681 /nfs/dbraw/zinc/02/06/81/282020681.db2.gz MTHPIKGJQKPRLV-CQSZACIVSA-N 1 0 308.426 2.121 10 0 DEAERO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000156852751 282037912 /nfs/dbraw/zinc/03/79/12/282037912.db2.gz QGWISKAWZCLEJP-SNVBAGLBSA-N 1 0 323.359 2.275 10 0 DEAERO CCc1ccc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)s1 ZINC000070196113 288545356 /nfs/dbraw/zinc/54/53/56/288545356.db2.gz AMJWMPAVEWZSED-GFCCVEGCSA-N 1 0 322.455 2.389 10 0 DEAERO Cc1ccnc(C2CC[NH+](C[C@@](C)(O)C(F)(F)F)CC2)n1 ZINC000375611039 292763655 /nfs/dbraw/zinc/76/36/55/292763655.db2.gz DXTRYGIILQHJOD-CYBMUJFWSA-N 1 0 303.328 2.278 10 0 DEAERO CO[C@@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[C@H]1C ZINC000187272432 293810453 /nfs/dbraw/zinc/81/04/53/293810453.db2.gz CZOBSLVZVIKUBO-TZMCWYRMSA-N 1 0 311.470 2.362 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc2ccccc21 ZINC000123936163 295271145 /nfs/dbraw/zinc/27/11/45/295271145.db2.gz IEGMFOFCORUZGU-HIFRSBDPSA-N 1 0 304.415 2.246 10 0 DEAERO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000191954673 295295581 /nfs/dbraw/zinc/29/55/81/295295581.db2.gz QDECZRFCXFFWHL-PBHICJAKSA-N 1 0 320.433 2.153 10 0 DEAERO Cc1cc(F)ccc1N1CCC[C@@H](N2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000261915673 301312524 /nfs/dbraw/zinc/31/25/24/301312524.db2.gz YBCJDYMDNXLNRZ-AEFFLSMTSA-N 1 0 319.424 2.300 10 0 DEAERO [NH3+]CCc1nc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)cs1 ZINC000194815247 303390169 /nfs/dbraw/zinc/39/01/69/303390169.db2.gz WSEVVSSAOAUCBA-ZDUSSCGKSA-N 1 0 323.462 2.208 10 0 DEAERO [NH3+]C[C@@H]1CN(c2ccc3nccnc3n2)C[C@H]1c1ccccc1 ZINC000328226397 325756382 /nfs/dbraw/zinc/75/63/82/325756382.db2.gz ARWUMCVDRSIOGP-CABCVRRESA-N 1 0 305.385 2.204 10 0 DEAERO c1cncc([C@@H]2C[NH2+]CCN2Cc2nnc(C3CC3)n2C2CC2)c1 ZINC000575059721 326214856 /nfs/dbraw/zinc/21/48/56/326214856.db2.gz HHPLYIWMQKNYGW-INIZCTEOSA-N 1 0 324.432 2.032 10 0 DEAERO COC[C@H](C)C[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000189639775 333190398 /nfs/dbraw/zinc/19/03/98/333190398.db2.gz HFTYWBATCSOCBC-CYBMUJFWSA-N 1 0 308.397 2.174 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCOCC1CCC1 ZINC000584384765 337233634 /nfs/dbraw/zinc/23/36/34/337233634.db2.gz ZDSVFWYNQIXUNQ-HNNXBMFYSA-N 1 0 311.470 2.367 10 0 DEAERO Fc1cc(-c2c[nH]c3ncc(NC4CC[NH2+]CC4)nc23)ccn1 ZINC000584638867 337379625 /nfs/dbraw/zinc/37/96/25/337379625.db2.gz MOGHEALIQQKAPY-UHFFFAOYSA-N 1 0 312.352 2.323 10 0 DEAERO COc1ccc(O)cc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000188352501 534206542 /nfs/dbraw/zinc/20/65/42/534206542.db2.gz VVQFGGSXIZCELN-UHFFFAOYSA-N 1 0 318.373 2.198 10 0 DEAERO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cn1 ZINC000128619744 519155066 /nfs/dbraw/zinc/15/50/66/519155066.db2.gz NTPISQDFUVBLPD-AWEZNQCLSA-N 1 0 302.426 2.142 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccccn1 ZINC000132560900 519721759 /nfs/dbraw/zinc/72/17/59/519721759.db2.gz DUJNWDVCVRUZPL-MRXNPFEDSA-N 1 0 304.438 2.044 10 0 DEAERO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000102682355 521317529 /nfs/dbraw/zinc/31/75/29/521317529.db2.gz MJBFCPHMITVNTC-GFCCVEGCSA-N 1 0 306.406 2.413 10 0 DEAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000102682353 521317904 /nfs/dbraw/zinc/31/79/04/521317904.db2.gz MJBFCPHMITVNTC-LBPRGKRZSA-N 1 0 306.406 2.413 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@@](C)(O)CC2)CC1 ZINC000365552575 521547592 /nfs/dbraw/zinc/54/75/92/521547592.db2.gz ZTERFQNEJOEHAD-QGZVFWFLSA-N 1 0 311.470 2.055 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)C1 ZINC000247487927 521644785 /nfs/dbraw/zinc/64/47/85/521644785.db2.gz LBIMDHKDFNDUFF-JKSUJKDBSA-N 1 0 319.453 2.022 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOc2ccccc2)[C@H](C)C1 ZINC000127887296 521718059 /nfs/dbraw/zinc/71/80/59/521718059.db2.gz FGBLLCYXJUPCEV-WBVHZDCISA-N 1 0 319.449 2.437 10 0 DEAERO CCc1ccccc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000129571063 521804001 /nfs/dbraw/zinc/80/40/01/521804001.db2.gz NUPMELAWWAZCCR-OAHLLOKOSA-N 1 0 318.461 2.414 10 0 DEAERO CN(CCc1nccs1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000156614530 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C[NH2+][C@@H](C)Cc1noc([C@@H](NC(=O)c2ccccc2)C(C)C)n1 ZINC000261907340 536350047 /nfs/dbraw/zinc/35/00/47/536350047.db2.gz ZEYZCPPSGFTMFP-WFASDCNBSA-N 1 0 316.405 2.347 10 0 DEAERO COC(=O)[C@H](C1CC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000359613133 536646592 /nfs/dbraw/zinc/64/65/92/536646592.db2.gz VFCHYPZHBVSMRB-KRWDZBQOSA-N 1 0 320.408 2.285 10 0 DEAERO COc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261881378 536653256 /nfs/dbraw/zinc/65/32/56/536653256.db2.gz FIEMAQJKRRKYLU-ZACQAIPSSA-N 1 0 304.434 2.250 10 0 DEAERO COC[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000262483219 536710973 /nfs/dbraw/zinc/71/09/73/536710973.db2.gz YFFCJWYKMKFDHI-ITDIGPHOSA-N 1 0 312.360 2.157 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)CC[C@@H]1C ZINC000252059643 536730895 /nfs/dbraw/zinc/73/08/95/536730895.db2.gz ZPXJVMZYOYLCTO-DUVNUKRYSA-N 1 0 313.825 2.437 10 0 DEAERO COc1cc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1C ZINC000246758952 536785165 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c1nc2c(c(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n1)CCCCC2 ZINC000317077678 635109106 /nfs/dbraw/zinc/10/91/06/635109106.db2.gz NTIZLTADHOOWGH-ZIAGYGMSSA-N 1 0 302.422 2.021 10 0 DEAERO CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)CC2(OC)CCC2)C1 ZINC000888103032 635567283 /nfs/dbraw/zinc/56/72/83/635567283.db2.gz AQVJTLDRKRDWBN-KGLIPLIRSA-N 1 0 321.421 2.274 10 0 DEAERO COC(=O)[C@H]1CN(Cc2noc(-c3ccsc3)n2)C[C@@H]1C ZINC000095015381 635924248 /nfs/dbraw/zinc/92/42/48/635924248.db2.gz ADSZTSWJMVZNTK-ONGXEEELSA-N 1 0 307.375 2.039 10 0 DEAERO Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3c(C)ccnc3N)C2)n1 ZINC000894011353 636087104 /nfs/dbraw/zinc/08/71/04/636087104.db2.gz BJTLBZLQGGRPGH-CQSZACIVSA-N 1 0 300.410 2.018 10 0 DEAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222544594 636360033 /nfs/dbraw/zinc/36/00/33/636360033.db2.gz RAOISQHBOPLVFB-XHDPSFHLSA-N 1 0 308.809 2.318 10 0 DEAERO CCCCCC[C@](C)(NC(=O)[C@H]1CCC[NH2+]C1)C(=O)OCC ZINC000158699634 636369459 /nfs/dbraw/zinc/36/94/59/636369459.db2.gz 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CC(C)c1ccc([C@H](C)NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc1 ZINC000899963292 642221307 /nfs/dbraw/zinc/22/13/07/642221307.db2.gz DLQNEPBKIXJLJL-XCRHUMRWSA-N 1 0 304.434 2.442 10 0 DEAERO CON(C)C(=O)CC[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000806626516 645854549 /nfs/dbraw/zinc/85/45/49/645854549.db2.gz WZBJWAJVVSLKIK-LBPRGKRZSA-N 1 0 319.405 2.096 10 0 DEAERO COc1ccc(OC)c([C@@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000757185093 645937913 /nfs/dbraw/zinc/93/79/13/645937913.db2.gz RADYUOHZYXBOMM-KBPBESRZSA-N 1 0 307.390 2.349 10 0 DEAERO CN1CCC[C@H]1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000226059381 646556882 /nfs/dbraw/zinc/55/68/82/646556882.db2.gz MSIRDNZGANVLAI-UONOGXRCSA-N 1 0 313.239 2.166 10 0 DEAERO Nc1nc(C2CC2)nc(N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000323902311 646669232 /nfs/dbraw/zinc/66/92/32/646669232.db2.gz KAKZEFXDVOIZPE-UHFFFAOYSA-N 1 0 324.432 2.044 10 0 DEAERO S=C1OCCN1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000172970824 646758395 /nfs/dbraw/zinc/75/83/95/646758395.db2.gz OZMFNQRHHSPAFI-OAHLLOKOSA-N 1 0 306.431 2.100 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)COc1ccc2c(c1)CCC2 ZINC000154996038 648157326 /nfs/dbraw/zinc/15/73/26/648157326.db2.gz ZZJKIYJRZHEEPT-OKILXGFUSA-N 1 0 302.418 2.105 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)COc1ccc2c(c1)CCC2 ZINC000154996260 648157718 /nfs/dbraw/zinc/15/77/18/648157718.db2.gz ZZJKIYJRZHEEPT-ZIAGYGMSSA-N 1 0 302.418 2.105 10 0 DEAERO CC(C)Nc1ncnc2c1ncn2C[N@@H+]1CCSC(C)(C)C1 ZINC000175259874 648339935 /nfs/dbraw/zinc/33/99/35/648339935.db2.gz NCTASHZRRWQGKP-UHFFFAOYSA-N 1 0 320.466 2.432 10 0 DEAERO CCOCCN1CCN(Cc2cnc(Cl)s2)C[C@@H]1C ZINC000175432024 648347881 /nfs/dbraw/zinc/34/78/81/648347881.db2.gz HKDLGFIOPJKNKC-NSHDSACASA-N 1 0 303.859 2.339 10 0 DEAERO C[C@@H](CO)[N@H+](C)CCCCCCN1C(=O)c2ccccc2C1=O ZINC000181517252 648683824 /nfs/dbraw/zinc/68/38/24/648683824.db2.gz BLVLOJBXSOZZLW-AWEZNQCLSA-N 1 0 318.417 2.156 10 0 DEAERO COc1ccccc1CC1CC[NH+](CCN2CCOC2=O)CC1 ZINC000069739659 648745555 /nfs/dbraw/zinc/74/55/55/648745555.db2.gz WZSXVMYZLXOJFT-UHFFFAOYSA-N 1 0 318.417 2.402 10 0 DEAERO CCC[N@H+](CCc1cccs1)Cn1cc(C(=O)OC)nn1 ZINC000183812376 649167540 /nfs/dbraw/zinc/16/75/40/649167540.db2.gz JIMXXTQWVVDKOR-UHFFFAOYSA-N 1 0 308.407 2.038 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@H]2CCn3ccnc32)C1 ZINC000379176401 685390400 /nfs/dbraw/zinc/39/04/00/685390400.db2.gz QRMFBHXDYMCFRN-STQMWFEESA-N 1 0 306.410 2.175 10 0 DEAERO CN1CCC[C@H]([NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000382504421 685404055 /nfs/dbraw/zinc/40/40/55/685404055.db2.gz MDSVVQPDVBPZSH-KFWWJZLASA-N 1 0 311.470 2.364 10 0 DEAERO Brc1c[nH]c(C[NH2+]C[C@@H]2Cc3ccccc3O2)n1 ZINC000386259219 685416592 /nfs/dbraw/zinc/41/65/92/685416592.db2.gz FICGTFYPBYMVNP-JTQLQIEISA-N 1 0 308.179 2.266 10 0 DEAERO CC(C)(CO)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000037853722 683884224 /nfs/dbraw/zinc/88/42/24/683884224.db2.gz QYFLQVPFSYRKCU-JTQLQIEISA-N 1 0 308.205 2.094 10 0 DEAERO [NH3+][C@@H](CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000123858121 684129103 /nfs/dbraw/zinc/12/91/03/684129103.db2.gz JSWUGXRGZSTXEA-LSDHHAIUSA-N 1 0 308.809 2.367 10 0 DEAERO CCOC(C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)OCC ZINC000125535875 684146260 /nfs/dbraw/zinc/14/62/60/684146260.db2.gz CUPKKXIYHZSXBD-ZDUSSCGKSA-N 1 0 304.394 2.317 10 0 DEAERO C[N@H+](CCCOC(=O)c1ccc2nncn2c1)Cc1ccccc1 ZINC000129544057 684179971 /nfs/dbraw/zinc/17/99/71/684179971.db2.gz CAKKBTGYCGMABE-UHFFFAOYSA-N 1 0 324.384 2.408 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000187982418 684347479 /nfs/dbraw/zinc/34/74/79/684347479.db2.gz GJGYSLVFVPMXKL-GXFFZTMASA-N 1 0 315.797 2.017 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)CC2CCC3(CC2)OCCO3)CC[N@@H+]1C ZINC000188497293 684358113 /nfs/dbraw/zinc/35/81/13/684358113.db2.gz MRQMDKQJPBDUIQ-ZBFHGGJFSA-N 1 0 324.465 2.251 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]Cc2ccnn2C)CCCN1C(=O)OC(C)(C)C ZINC000189518003 684383284 /nfs/dbraw/zinc/38/32/84/684383284.db2.gz YDYFUBHJTMTCQA-OCCSQVGLSA-N 1 0 308.426 2.298 10 0 DEAERO C[C@H]([NH3+])CCC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000193249273 685036233 /nfs/dbraw/zinc/03/62/33/685036233.db2.gz IZGZNXKMKMFROK-QPUJVOFHSA-N 1 0 305.205 2.270 10 0 DEAERO S=c1n(-c2ccccc2)cnn1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246945033 685139417 /nfs/dbraw/zinc/13/94/17/685139417.db2.gz FFJKEBGMFTVZLA-HNNXBMFYSA-N 1 0 315.446 2.141 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc([C@H](C)O)cc2)C1 ZINC000249726978 685186520 /nfs/dbraw/zinc/18/65/20/685186520.db2.gz QHLQSWOUEYNSJS-BBRMVZONSA-N 1 0 305.422 2.023 10 0 DEAERO c1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc2c1OCO2 ZINC000274036205 685208023 /nfs/dbraw/zinc/20/80/23/685208023.db2.gz QBNDFUQTBNBTPV-BXUZGUMPSA-N 1 0 315.329 2.001 10 0 DEAERO Cn1ccnc1[C@H]1[C@H]([NH2+][C@@H]2CCC(C)(C)C2)CCC(=O)N1C ZINC000886085361 691999985 /nfs/dbraw/zinc/99/99/85/691999985.db2.gz MGZOGRBVURFJDL-UMVBOHGHSA-N 1 0 304.438 2.250 10 0 DEAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)c2ccncc2C)C1 ZINC000886094004 692001931 /nfs/dbraw/zinc/00/19/31/692001931.db2.gz NNXLUPAJBZEDTL-UAGQMJEPSA-N 1 0 317.433 2.104 10 0 DEAERO O[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)[C@H]1n1cccn1 ZINC000886096792 692002978 /nfs/dbraw/zinc/00/29/78/692002978.db2.gz FVVCVAWOWAGXJQ-VVLHAWIVSA-N 1 0 301.365 2.437 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1C ZINC000722596654 776544416 /nfs/dbraw/zinc/54/44/16/776544416.db2.gz LTFYFXFAHMBFLR-STQMWFEESA-N 1 0 314.476 2.046 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1csnn1 ZINC000723816599 777175015 /nfs/dbraw/zinc/17/50/15/777175015.db2.gz JZVSLYPEGCOXID-GHMZBOCLSA-N 1 0 312.439 2.131 10 0 DEAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CCCOC1 ZINC000723995361 777217641 /nfs/dbraw/zinc/21/76/41/777217641.db2.gz PIHKFTDGBLNLAK-KBXIAJHMSA-N 1 0 303.468 2.137 10 0 DEAERO CCC1(O)CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724062758 777234252 /nfs/dbraw/zinc/23/42/52/777234252.db2.gz UZOXYOPOIVISJD-VIFPVBQESA-N 1 0 305.287 2.172 10 0 DEAERO C[C@](O)(C[NH2+]CC1SCCS1)C(F)(F)C(F)(F)F ZINC000724096281 777239757 /nfs/dbraw/zinc/23/97/57/777239757.db2.gz IVASSQXUEGFJRH-ZETCQYMHSA-N 1 0 311.341 2.331 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]CC2(CCO)CC2)C1 ZINC000724106140 777242665 /nfs/dbraw/zinc/24/26/65/777242665.db2.gz XHZZCENPNFBWLC-KBPBESRZSA-N 1 0 312.454 2.432 10 0 DEAERO CCOC[C@@H]1CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724113661 777243638 /nfs/dbraw/zinc/24/36/38/777243638.db2.gz GAAOOZWSTJBOBC-ZJUUUORDSA-N 1 0 305.287 2.293 10 0 DEAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CC23CC(O)C3)CN1C(=O)OC(C)(C)C ZINC000724911681 777516643 /nfs/dbraw/zinc/51/66/43/777516643.db2.gz GKFNWNUYHYPZLJ-ZOVYBMJKSA-N 1 0 310.438 2.277 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000725113315 777587815 /nfs/dbraw/zinc/58/78/15/777587815.db2.gz JYTNRAMWYPNYKU-PWSUYJOCSA-N 1 0 302.465 2.031 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000725116111 777588083 /nfs/dbraw/zinc/58/80/83/777588083.db2.gz AWFQVSOLRQNWPM-CYBMUJFWSA-N 1 0 304.481 2.407 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000725116624 777588561 /nfs/dbraw/zinc/58/85/61/777588561.db2.gz JXLHOZCKPGARJC-UHFFFAOYSA-N 1 0 302.465 2.255 10 0 DEAERO C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)C1C[NH2+]C1 ZINC000722218271 778510963 /nfs/dbraw/zinc/51/09/63/778510963.db2.gz GCUWORCYEKOVFB-MRVPVSSYSA-N 1 0 323.245 2.288 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000722268317 778555791 /nfs/dbraw/zinc/55/57/91/778555791.db2.gz XSBOXVPZZWEAIH-KBXIAJHMSA-N 1 0 311.470 2.362 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c1C ZINC000722567719 778789020 /nfs/dbraw/zinc/78/90/20/778789020.db2.gz NNBIXJSEILTDIK-QPUJVOFHSA-N 1 0 302.465 2.174 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c1C ZINC000722569353 778789944 /nfs/dbraw/zinc/78/99/44/778789944.db2.gz WUHAJJSHDRWPSA-JSGCOSHPSA-N 1 0 314.476 2.236 10 0 DEAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)CC1 ZINC000721252959 780555524 /nfs/dbraw/zinc/55/55/24/780555524.db2.gz BWISDRGQLNOKKW-ILXRZTDVSA-N 1 0 303.468 2.139 10 0 DEAERO C[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1cn(C)nn1 ZINC000721896503 781587424 /nfs/dbraw/zinc/58/74/24/781587424.db2.gz IREZKVKRBBQQQT-DGCLKSJQSA-N 1 0 323.441 2.111 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)N[C@H](C)C[NH+]2CCCCCC2)n1 ZINC000186261085 784369673 /nfs/dbraw/zinc/36/96/73/784369673.db2.gz CYPNDNYEVGBSDW-GDBMZVCRSA-N 1 0 306.454 2.442 10 0 DEAERO COc1cc(Br)ccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000712308766 784812944 /nfs/dbraw/zinc/81/29/44/784812944.db2.gz RICZOQZHFFVBLH-PSASIEDQSA-N 1 0 313.195 2.252 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c1C ZINC000722596873 787335423 /nfs/dbraw/zinc/33/54/23/787335423.db2.gz CPDYUGYVESINRT-AWEZNQCLSA-N 1 0 316.492 2.341 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000724026748 787346977 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COCCC1(C[NH2+]Cc2cn(C)nc2Br)CC1 ZINC000712482120 792190676 /nfs/dbraw/zinc/19/06/76/792190676.db2.gz MNUCBQBSPSEGJS-UHFFFAOYSA-N 1 0 302.216 2.089 10 0 DEAERO CC[NH+](CC)C[C@H](C)NCc1cn(C)nc1Br ZINC000712491165 792190699 /nfs/dbraw/zinc/19/06/99/792190699.db2.gz MIASXKGLJFBRJU-JTQLQIEISA-N 1 0 303.248 2.003 10 0 DEAERO Cn1cc(CNC(C)(C)C[NH+]2CCCC2)c(Br)n1 ZINC000712498709 792190884 /nfs/dbraw/zinc/19/08/84/792190884.db2.gz QLPRJNUSMUZAPY-UHFFFAOYSA-N 1 0 315.259 2.147 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000712605144 792191927 /nfs/dbraw/zinc/19/19/27/792191927.db2.gz KLXGPZLOYTVQRO-RRFJBIMHSA-N 1 0 311.470 2.316 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cn(C)nc1Br ZINC000713823139 792261242 /nfs/dbraw/zinc/26/12/42/792261242.db2.gz VLIRMBRJAPIDMC-LBPRGKRZSA-N 1 0 315.259 2.099 10 0 DEAERO COc1cc([C@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)ccc1F ZINC000714252112 792306008 /nfs/dbraw/zinc/30/60/08/792306008.db2.gz SYFYUOOWULPMKW-DLOVCJGASA-N 1 0 301.383 2.061 10 0 DEAERO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ncc(Br)s1 ZINC000714945398 792361046 /nfs/dbraw/zinc/36/10/46/792361046.db2.gz ISXZHSQZYQAGHB-HTQZYQBOSA-N 1 0 318.240 2.052 10 0 DEAERO [NH3+][C@H]1C[C@@H](NCc2ncc(Br)s2)C12CCC2 ZINC000714950555 792374466 /nfs/dbraw/zinc/37/44/66/792374466.db2.gz ISUFYVIJGDBIRW-JGVFFNPUSA-N 1 0 302.241 2.265 10 0 DEAERO CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715160918 792401121 /nfs/dbraw/zinc/40/11/21/792401121.db2.gz ISFOVCORCLYPEU-FXQIFTODSA-N 1 0 300.271 2.016 10 0 DEAERO COc1ccc(Cl)cc1C[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000715211821 792404364 /nfs/dbraw/zinc/40/43/64/792404364.db2.gz ANQRSJCPPDUZCJ-UHFFFAOYSA-N 1 0 303.811 2.014 10 0 DEAERO O=S1(=O)CCC(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000716077162 792556595 /nfs/dbraw/zinc/55/65/95/792556595.db2.gz SDDSOJJVLSVPLO-AGUYFDCRSA-N 1 0 303.493 2.075 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000716754891 793004665 /nfs/dbraw/zinc/00/46/65/793004665.db2.gz VRWCRYDJIPJSDK-VXGBXAGGSA-N 1 0 322.396 2.382 10 0 DEAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cc(Br)cs1 ZINC000716774491 793006823 /nfs/dbraw/zinc/00/68/23/793006823.db2.gz DVQPCUGKYXFJFL-SXJRXYEXSA-N 1 0 303.225 2.425 10 0 DEAERO NC(=O)C1CC([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000716789504 793007547 /nfs/dbraw/zinc/00/75/47/793007547.db2.gz MJYUJDSWPBDALS-QRMWWUJWSA-N 1 0 323.234 2.160 10 0 DEAERO [NH3+][C@H]1CN(c2ncnc3sccc32)CC[C@H]1C(F)(F)F ZINC000717089669 799193917 /nfs/dbraw/zinc/19/39/17/799193917.db2.gz HBPUSCQJCSKCON-BDAKNGLRSA-N 1 0 302.325 2.407 10 0 DEAERO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000717365725 799391905 /nfs/dbraw/zinc/39/19/05/799391905.db2.gz KVQNUSFUBOFENA-KDOFPFPSSA-N 1 0 301.386 2.097 10 0 DEAERO C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000717546936 799424966 /nfs/dbraw/zinc/42/49/66/799424966.db2.gz JECQXUHKIJCDGD-TZMCWYRMSA-N 1 0 302.484 2.215 10 0 DEAERO C[C@H]([NH2+][C@@H](CO)C1CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000717591945 799425509 /nfs/dbraw/zinc/42/55/09/799425509.db2.gz GHJXGFQFZZQPOX-QEJZJMRPSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@@H]([NH2+]CC1(CO)CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000717644402 799427619 /nfs/dbraw/zinc/42/76/19/799427619.db2.gz ZZEQXMBFSDAOLT-ZIAGYGMSSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@H]1C[C@H]([NH2+]C2CCN(C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401719551 801845354 /nfs/dbraw/zinc/84/53/54/801845354.db2.gz MUADQMZKPYHZSD-ZFWWWQNUSA-N 1 0 311.470 2.316 10 0 DEAERO CC(C)=CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404199735 802007697 /nfs/dbraw/zinc/00/76/97/802007697.db2.gz HQNAEJVZBCKBRF-QZTJIDSGSA-N 1 0 314.429 2.455 10 0 DEAERO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)nn1 ZINC000404432531 802020169 /nfs/dbraw/zinc/02/01/69/802020169.db2.gz OECXKLZYSASEBW-TZMCWYRMSA-N 1 0 323.441 2.033 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCn2cccn2)C12CCC2 ZINC000405225643 802045088 /nfs/dbraw/zinc/04/50/88/802045088.db2.gz ONPRKCSHYXXBNL-ZIAGYGMSSA-N 1 0 320.437 2.309 10 0 DEAERO C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(C(F)(F)F)s1 ZINC000717923140 1081788407 /nfs/dbraw/zinc/78/84/07/1081788407.db2.gz PFQUDAPZDFOVFA-ZETCQYMHSA-N 1 0 301.355 2.462 10 0 DEAERO CC(=O)N1CCC([NH2+]CCCN2CCc3ccccc32)CC1 ZINC000079065833 1081995861 /nfs/dbraw/zinc/99/58/61/1081995861.db2.gz WPAVQDAVHMJKEY-UHFFFAOYSA-N 1 0 301.434 2.040 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000721038719 1085596162 /nfs/dbraw/zinc/59/61/62/1085596162.db2.gz ZDCSAGUXUCZYNO-ZYHUDNBSSA-N 1 0 316.854 2.172 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Br)c[nH]1 ZINC000720816607 1086168075 /nfs/dbraw/zinc/16/80/75/1086168075.db2.gz OPWKYQCOMZFUGS-NEPJUHHUSA-N 1 0 312.211 2.086 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccnc(Br)c1 ZINC000720828900 1086183769 /nfs/dbraw/zinc/18/37/69/1086183769.db2.gz JVDSXZVCWUCPPP-NWDGAFQWSA-N 1 0 324.222 2.153 10 0 DEAERO CO[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720829484 1086186161 /nfs/dbraw/zinc/18/61/61/1086186161.db2.gz ALRBACWMIYXJIE-QILLFSRXSA-N 1 0 302.418 2.002 10 0 DEAERO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000700109390 1086309847 /nfs/dbraw/zinc/30/98/47/1086309847.db2.gz YCADOSRVXXWKOA-LXTVHRRPSA-N 1 0 310.438 2.258 10 0 DEAERO C[NH+](C)C1CC(NC(=O)c2c(F)cccc2Br)C1 ZINC000701469743 1086364668 /nfs/dbraw/zinc/36/46/68/1086364668.db2.gz FSTPIVGSNZOKGR-UHFFFAOYSA-N 1 0 315.186 2.411 10 0 DEAERO COC(=O)N(C)CC[NH2+]Cc1ccsc1Br ZINC000701627085 1086370285 /nfs/dbraw/zinc/37/02/85/1086370285.db2.gz JQKYDFCCWXCLQU-UHFFFAOYSA-N 1 0 307.213 2.298 10 0 DEAERO Cc1c(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)cnn1C ZINC000701865967 1086387678 /nfs/dbraw/zinc/38/76/78/1086387678.db2.gz YLBDOTPQKIHCQV-UHFFFAOYSA-N 1 0 320.437 2.218 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CO[C@H]1C ZINC000701932866 1086394938 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CCCN1CC[C@@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000706484453 1086639575 /nfs/dbraw/zinc/63/95/75/1086639575.db2.gz YEZRWWHTUZZDJM-SWKXRBFHSA-N 1 0 323.481 2.460 10 0 DEAERO CC(C)(C)OC(=O)NCC1([NH2+]Cc2cccnc2)CCOCC1 ZINC000707849237 1086676313 /nfs/dbraw/zinc/67/63/13/1086676313.db2.gz NEQRXAIELQJBQF-UHFFFAOYSA-N 1 0 321.421 2.245 10 0 DEAERO CN(CCCCCC[NH3+])C(=O)c1ccc(Br)cn1 ZINC000710752566 1086689640 /nfs/dbraw/zinc/68/96/40/1086689640.db2.gz ZPLYGNWMRBEGNS-UHFFFAOYSA-N 1 0 314.227 2.435 10 0 DEAERO CC[C@@H](C[NH2+][C@@H]1CCC1(OC)OC)NC(=O)OC(C)(C)C ZINC000710959132 1086691444 /nfs/dbraw/zinc/69/14/44/1086691444.db2.gz KXFVLOGWJKXYDQ-NWDGAFQWSA-N 1 0 302.415 2.031 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2Cc3ccccc3O2)C1 ZINC000710959661 1086691579 /nfs/dbraw/zinc/69/15/79/1086691579.db2.gz COISPGFPBHNIPH-OAHLLOKOSA-N 1 0 318.417 2.447 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H](CO)C(C)(C)C)C1 ZINC000711485287 1087135313 /nfs/dbraw/zinc/13/53/13/1087135313.db2.gz PRPWZCSUZNIZAP-FRRDWIJNSA-N 1 0 300.443 2.286 10 0 DEAERO O=S(=O)(N[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(F)c(Cl)c1 ZINC000711586585 1087166705 /nfs/dbraw/zinc/16/67/05/1087166705.db2.gz YGNCEFCXKWXQSO-OLZOCXBDSA-N 1 0 318.801 2.042 10 0 DEAERO O=C(Cc1cccc(Br)c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711697223 1087191024 /nfs/dbraw/zinc/19/10/24/1087191024.db2.gz JXPGXSKIVWDLIX-DZGCQCFKSA-N 1 0 323.234 2.392 10 0 DEAERO COC[C@@H](CC[NH2+]Cc1nc(C)c(Br)s1)OC ZINC000719258476 1088915215 /nfs/dbraw/zinc/91/52/15/1088915215.db2.gz VETGWHFJUDEDCK-SECBINFHSA-N 1 0 323.256 2.355 10 0 DEAERO Cc1nc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)sc1Br ZINC000719254854 1088915560 /nfs/dbraw/zinc/91/55/60/1088915560.db2.gz ZTPANQJQWWVYGU-NXEZZACHSA-N 1 0 316.268 2.398 10 0 DEAERO CO[C@]1(C[NH2+]C[C@H](O)c2ccc(F)cc2F)CCSC1 ZINC000719326673 1088955175 /nfs/dbraw/zinc/95/51/75/1088955175.db2.gz SNXMYYHFZHNETM-KBPBESRZSA-N 1 0 303.374 2.110 10 0 DEAERO C[C@H]1[C@@H](NC(=O)c2ccc(F)cc2Br)CC[N@@H+]1C ZINC000719387648 1089061790 /nfs/dbraw/zinc/06/17/90/1089061790.db2.gz KYWAZBSTGXRJNV-UFBFGSQYSA-N 1 0 315.186 2.411 10 0 DEAERO Cc1ccc(C[NH2+]CC(=O)NC2CC2)c(C)c1Br ZINC000719567554 1089303293 /nfs/dbraw/zinc/30/32/93/1089303293.db2.gz YOLWEHYNSUSIQV-UHFFFAOYSA-N 1 0 311.223 2.434 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CCN1C ZINC000719573782 1089307983 /nfs/dbraw/zinc/30/79/83/1089307983.db2.gz XNEFBUNOXNYLFB-APIJFGDWSA-N 1 0 311.470 2.314 10 0 DEAERO FC1(F)CC[NH2+]C[C@@H]1CNCc1nc2c(s1)CCCC2 ZINC000719622541 1089331179 /nfs/dbraw/zinc/33/11/79/1089331179.db2.gz GLDSMUJHAOTTOQ-SNVBAGLBSA-N 1 0 301.406 2.356 10 0 DEAERO COc1cc(C[NH2+]CCOC(F)(F)C(F)(F)F)sn1 ZINC000720244619 1089538283 /nfs/dbraw/zinc/53/82/83/1089538283.db2.gz NNBXPZKFYAEGGZ-UHFFFAOYSA-N 1 0 306.256 2.413 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)NCCOC(F)(F)C(F)(F)F ZINC000720279390 1089540662 /nfs/dbraw/zinc/54/06/62/1089540662.db2.gz ZLODDOCBSOXWEQ-UHFFFAOYSA-N 1 0 306.275 2.039 10 0 DEAERO COc1cncc(C[NH2+]CCOC(F)(F)C(F)(F)F)c1 ZINC000720259758 1089546614 /nfs/dbraw/zinc/54/66/14/1089546614.db2.gz ICBULSQQJNETBJ-UHFFFAOYSA-N 1 0 300.227 2.352 10 0 DEAERO NC(=O)c1csc(C[NH2+]CCOC(F)(F)C(F)(F)F)c1 ZINC000720261574 1089547557 /nfs/dbraw/zinc/54/75/57/1089547557.db2.gz RYQYNRFLFZTLAU-UHFFFAOYSA-N 1 0 318.267 2.108 10 0 DEAERO S=C(NC1CCCCC1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720444850 1089940811 /nfs/dbraw/zinc/94/08/11/1089940811.db2.gz AXMQCOWWKUJQBS-KBPBESRZSA-N 1 0 313.536 2.363 10 0 DEAERO C[C@@H]1[C@H](Nc2ccc(I)cn2)CC[N@@H+]1C ZINC000719781256 1091512610 /nfs/dbraw/zinc/51/26/10/1091512610.db2.gz KIRCIWKDENIURI-PSASIEDQSA-N 1 0 317.174 2.191 10 0 DEAERO c1[nH+]cn2ccc(-c3noc(COCc4ccncc4)n3)cc12 ZINC000350309467 1138232008 /nfs/dbraw/zinc/23/20/08/1138232008.db2.gz SHGJSKJXORKFOZ-UHFFFAOYSA-N 1 0 307.313 2.496 10 0 DEAERO CN(C)c1nnc(S[C@H]2COc3ccccc3[C@@H]2[NH3+])s1 ZINC000081769341 192322453 /nfs/dbraw/zinc/32/24/53/192322453.db2.gz GGEMDFAHLRWWQW-QWRGUYRKSA-N 1 0 308.432 2.157 10 0 DEAERO COc1ccc2c(c1)CC[C@H](Sc1nccc(=O)[nH]1)[C@H]2[NH3+] ZINC000081774407 192322723 /nfs/dbraw/zinc/32/27/23/192322723.db2.gz WLTQOUUDFGUKGD-JSGCOSHPSA-N 1 0 303.387 2.298 10 0 DEAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000408229356 282097791 /nfs/dbraw/zinc/09/77/91/282097791.db2.gz QKGGSKNNJWKWSL-AWEZNQCLSA-N 1 0 319.453 2.050 10 0 DEAERO Cc1cccc(C)c1OCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000139674275 282101616 /nfs/dbraw/zinc/10/16/16/282101616.db2.gz QLFPOEJAYQDNQC-HNNXBMFYSA-N 1 0 305.422 2.076 10 0 DEAERO CCC[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000150887498 282107212 /nfs/dbraw/zinc/10/72/12/282107212.db2.gz ILXSAYIESJIPJD-CVEARBPZSA-N 1 0 311.470 2.319 10 0 DEAERO CCCn1c(=O)[nH]nc1SC[C@H]([NH2+]C)c1ccc(C)cc1 ZINC000081879230 192332654 /nfs/dbraw/zinc/33/26/54/192332654.db2.gz RUGNZRCLRVRLCE-ZDUSSCGKSA-N 1 0 306.435 2.343 10 0 DEAERO C[NH2+][C@H]1c2ccccc2OC[C@@H]1Sc1nc(C)cc(=O)[nH]1 ZINC000081868630 192332838 /nfs/dbraw/zinc/33/28/38/192332838.db2.gz CBUBRGHCHFNFON-JSGCOSHPSA-N 1 0 303.387 2.304 10 0 DEAERO CC[NH2+][C@@H]1CCOC[C@@H]1Sc1nnc(C2CC2)n1C1CC1 ZINC000081857421 192333588 /nfs/dbraw/zinc/33/35/88/192333588.db2.gz NFNSTAGOWKRDHG-OLZOCXBDSA-N 1 0 308.451 2.350 10 0 DEAERO C[NH2+][C@@H]1CCOC[C@H]1Sc1ccc(Br)cn1 ZINC000081894867 192334010 /nfs/dbraw/zinc/33/40/10/192334010.db2.gz RGVGKMSPKWZNIN-NXEZZACHSA-N 1 0 303.225 2.313 10 0 DEAERO Cc1nc(SC[C@H]([NH3+])c2ccc3c(c2)OCCCO3)n[nH]1 ZINC000081890303 192334118 /nfs/dbraw/zinc/33/41/18/192334118.db2.gz VGQHZULKQYNNPD-NSHDSACASA-N 1 0 306.391 2.067 10 0 DEAERO C[NH2+][C@H](c1ccccc1)[C@@H](C)Sc1n[nH]c(=O)n1C1CC1 ZINC000081880305 192334209 /nfs/dbraw/zinc/33/42/09/192334209.db2.gz CPUFKNDDIDYJPJ-MFKMUULPSA-N 1 0 304.419 2.348 10 0 DEAERO [NH3+][C@H](CSc1cnccn1)c1ccc2c(c1)OCCCO2 ZINC000081885468 192334335 /nfs/dbraw/zinc/33/43/35/192334335.db2.gz HMWUZOVHYZFLFW-GFCCVEGCSA-N 1 0 303.387 2.430 10 0 DEAERO C[NH2+][C@@H](CSc1n[nH]c(=O)n1C)c1ccc(C(C)C)cc1 ZINC000081880634 192334365 /nfs/dbraw/zinc/33/43/65/192334365.db2.gz XWGQWKBBCOWYRL-ZDUSSCGKSA-N 1 0 306.435 2.285 10 0 DEAERO CCO[C@H](CC)[C@@H]([NH3+])c1c(Br)cnn1CCOC ZINC000162308543 197558526 /nfs/dbraw/zinc/55/85/26/197558526.db2.gz CEHONNISFXOGNB-GHMZBOCLSA-N 1 0 320.231 2.107 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000081920245 192339005 /nfs/dbraw/zinc/33/90/05/192339005.db2.gz USNOKJSILKTHLW-ZIAGYGMSSA-N 1 0 317.838 2.271 10 0 DEAERO CC[C@@](C)(OC)[C@@H](Cc1c(Br)c(C)nn1C)[NH2+]C ZINC000163417946 197629577 /nfs/dbraw/zinc/62/95/77/197629577.db2.gz WBCUPOJCVABSOK-DGCLKSJQSA-N 1 0 318.259 2.437 10 0 DEAERO Cc1nc2ncnn2c(N2CCC([N@H+]3CCC[C@H]3C)CC2)c1C ZINC000154959555 282130888 /nfs/dbraw/zinc/13/08/88/282130888.db2.gz NRLOUDHKLOLNOX-GFCCVEGCSA-N 1 0 314.437 2.194 10 0 DEAERO Cc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2C)c(Br)c1 ZINC000163836997 197651403 /nfs/dbraw/zinc/65/14/03/197651403.db2.gz IBGPAYYPTYDLRJ-GMXVVIOVSA-N 1 0 323.234 2.437 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1S(=O)(=O)c1ccc(Br)cc1 ZINC000081934006 192341520 /nfs/dbraw/zinc/34/15/20/192341520.db2.gz XIXAFHJXBRVKNB-WDEREUQCSA-N 1 0 304.209 2.103 10 0 DEAERO CC(C)(C)[NH2+]CCCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935414 192342415 /nfs/dbraw/zinc/34/24/15/192342415.db2.gz UDYDMNMGBHIRCQ-UHFFFAOYSA-N 1 0 313.419 2.010 10 0 DEAERO CCC[NH2+][C@H](C)[C@@H](C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935175 192342756 /nfs/dbraw/zinc/34/27/56/192342756.db2.gz UUXGNSZTZYKAKC-VXGBXAGGSA-N 1 0 313.419 2.008 10 0 DEAERO Nc1ccc(CN2CC[NH+](C3CC3)CC2)cc1Br ZINC000078897189 185124721 /nfs/dbraw/zinc/12/47/21/185124721.db2.gz YWENAZNFXGTVTA-UHFFFAOYSA-N 1 0 310.239 2.311 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000078934568 185131316 /nfs/dbraw/zinc/13/13/16/185131316.db2.gz VEJCEBHKPRHFGN-OAHLLOKOSA-N 1 0 305.422 2.026 10 0 DEAERO C[C@H](O)c1ccc(N2CC[NH+](CC(C)(C)O)CC2)cc1Cl ZINC000078944933 185133413 /nfs/dbraw/zinc/13/34/13/185133413.db2.gz HTWKCRBAHVEYNK-LBPRGKRZSA-N 1 0 312.841 2.286 10 0 DEAERO CCC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(=O)(=O)CCOC ZINC000081945010 192344874 /nfs/dbraw/zinc/34/48/74/192344874.db2.gz PQFPZAQXYZUZSW-ZBFHGGJFSA-N 1 0 313.463 2.485 10 0 DEAERO C[C@H](CC[NH3+])CCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000079118485 185159351 /nfs/dbraw/zinc/15/93/51/185159351.db2.gz KLKMJXFPYRIGKV-ZNMIVQPWSA-N 1 0 314.495 2.265 10 0 DEAERO C[NH2+][C@](CSc1ccc(Cl)cn1)(C(N)=O)c1ccccc1 ZINC000079448443 185172240 /nfs/dbraw/zinc/17/22/40/185172240.db2.gz DINJPBZEYFEXRK-HNNXBMFYSA-N 1 0 321.833 2.427 10 0 DEAERO COCCN(CC[NH3+])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000164935364 197666483 /nfs/dbraw/zinc/66/64/83/197666483.db2.gz NTURXYDSXZDJRW-UHFFFAOYSA-N 1 0 305.300 2.144 10 0 DEAERO C[NH+]1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000082311410 185174888 /nfs/dbraw/zinc/17/48/88/185174888.db2.gz VLKNZPOAANBZLN-UHFFFAOYSA-N 1 0 315.461 2.457 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCC(=O)NC1)c1sccc1Br ZINC000082515156 185189295 /nfs/dbraw/zinc/18/92/95/185189295.db2.gz BYGREOYJVOHAEO-SFYZADRCSA-N 1 0 303.225 2.440 10 0 DEAERO CCC(CC)CS(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000113280017 282168076 /nfs/dbraw/zinc/16/80/76/282168076.db2.gz ISQNFFAXWBLZGS-UHFFFAOYSA-N 1 0 302.484 2.313 10 0 DEAERO CC(C)(C)Oc1ccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc1 ZINC000082807295 185205680 /nfs/dbraw/zinc/20/56/80/185205680.db2.gz NMZRKNBEBBLJTP-UHFFFAOYSA-N 1 0 314.389 2.485 10 0 DEAERO CC[NH2+][C@](C)(CO)CSc1ccc(Br)cn1 ZINC000082905412 185209545 /nfs/dbraw/zinc/20/95/45/185209545.db2.gz LHCRHHVSSIJQRD-LLVKDONJSA-N 1 0 305.241 2.297 10 0 DEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ncc(Br)s1 ZINC000082920892 185209555 /nfs/dbraw/zinc/20/95/55/185209555.db2.gz WYQUQIYSROUQDL-NKWVEPMBSA-N 1 0 304.213 2.362 10 0 DEAERO CC(C)C(=O)Nc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170867012 282180506 /nfs/dbraw/zinc/18/05/06/282180506.db2.gz KEORTSDXERSVKQ-HNNXBMFYSA-N 1 0 303.406 2.057 10 0 DEAERO CC1(C)CN(c2ccc(I)cc2)CC[NH2+]1 ZINC000083061268 185212417 /nfs/dbraw/zinc/21/24/17/185212417.db2.gz NHUODSDHFGDENB-UHFFFAOYSA-N 1 0 316.186 2.479 10 0 DEAERO CCOCC[C@H](O)[C@H](C[NH3+])c1ccccc1Br ZINC000087381328 185223154 /nfs/dbraw/zinc/22/31/54/185223154.db2.gz NSQJUHCHAANHFQ-YPMHNXCESA-N 1 0 302.212 2.279 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N[C@H](C[NH3+])C(C)C ZINC000087388031 185223242 /nfs/dbraw/zinc/22/32/42/185223242.db2.gz BLQWWQFMXBSZOJ-LLVKDONJSA-N 1 0 316.243 2.374 10 0 DEAERO CC[NH2+][C@](C)(CCc1ccc(OC(F)F)cc1)CC(N)=O ZINC000087549506 185227822 /nfs/dbraw/zinc/22/78/22/185227822.db2.gz NMXVDNMVNMDIQB-OAHLLOKOSA-N 1 0 300.349 2.464 10 0 DEAERO C[NH2+]C1(CCN2CCN(CC(F)(F)F)CC2)CCCCC1 ZINC000087578588 185229029 /nfs/dbraw/zinc/22/90/29/185229029.db2.gz YHJSPNJJVIHZNL-UHFFFAOYSA-N 1 0 307.404 2.479 10 0 DEAERO Cc1cc(CNS(=O)(=O)c2ccc(CC[NH3+])cc2)sc1C ZINC000087581627 185229133 /nfs/dbraw/zinc/22/91/33/185229133.db2.gz IADNCFWXBFRMEU-UHFFFAOYSA-N 1 0 324.471 2.345 10 0 DEAERO CC(C)([NH3+])C(C)(C)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000087627639 185229535 /nfs/dbraw/zinc/22/95/35/185229535.db2.gz OHTOGRHMWXBVJO-UHFFFAOYSA-N 1 0 307.419 2.433 10 0 DEAERO C[NH2+][C@H](c1sccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000087630650 185229543 /nfs/dbraw/zinc/22/95/43/185229543.db2.gz QJQPSNIBVYANCE-CBAPKCEASA-N 1 0 324.265 2.206 10 0 DEAERO CC(C)(CC[NH3+])CCc1nc2cc(S(C)(=O)=O)ccc2[nH]1 ZINC000087662125 185229977 /nfs/dbraw/zinc/22/99/77/185229977.db2.gz PELBNYSJNKWOEV-UHFFFAOYSA-N 1 0 309.435 2.274 10 0 DEAERO CC(C)C[NH2+][C@@H](CN)c1cc2c(c(Br)c1)OCO2 ZINC000087911528 185237382 /nfs/dbraw/zinc/23/73/82/185237382.db2.gz GAJQBDORWQSPKP-NSHDSACASA-N 1 0 315.211 2.423 10 0 DEAERO [NH3+]CC1(CC(=O)Nc2ncc(Br)s2)CCC1 ZINC000088050497 185237920 /nfs/dbraw/zinc/23/79/20/185237920.db2.gz NTCOUSDYOWUIML-UHFFFAOYSA-N 1 0 304.213 2.363 10 0 DEAERO COc1ccc(Br)c(C[S@](=O)[C@@H](C)C[NH3+])c1 ZINC000088067991 185238608 /nfs/dbraw/zinc/23/86/08/185238608.db2.gz BNGRJNDYQQMLHU-ZKANADHPSA-N 1 0 306.225 2.054 10 0 DEAERO C[C@@H](c1nncn1C)n1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837417 185233167 /nfs/dbraw/zinc/23/31/67/185233167.db2.gz KCMIDVFPPPBVOK-ZETCQYMHSA-N 1 0 321.182 2.119 10 0 DEAERO NNc1nc(N2Cc3ccccc3C2)c(Br)c[nH+]1 ZINC000087869190 185234219 /nfs/dbraw/zinc/23/42/19/185234219.db2.gz PCGZELHHARGOFR-UHFFFAOYSA-N 1 0 306.167 2.045 10 0 DEAERO CC(C)[C@H](NC(=O)CN1CC[NH2+]CC1(C)C)c1cccs1 ZINC000088146868 185240603 /nfs/dbraw/zinc/24/06/03/185240603.db2.gz VBOOSQUMZXKMQL-HNNXBMFYSA-N 1 0 309.479 2.245 10 0 DEAERO O=C(Nc1c(F)cc(Br)cc1F)[C@@H]1CC[NH2+]C1 ZINC000088168531 185240761 /nfs/dbraw/zinc/24/07/61/185240761.db2.gz BCIOLXRXCAWOAB-ZCFIWIBFSA-N 1 0 305.122 2.275 10 0 DEAERO [NH3+][C@H]1CCCN(c2c(F)cc(Br)cc2F)C1=O ZINC000088172864 185240968 /nfs/dbraw/zinc/24/09/68/185240968.db2.gz LWZWBQHLRWXMTM-VIFPVBQESA-N 1 0 305.122 2.181 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000170855595 282196168 /nfs/dbraw/zinc/19/61/68/282196168.db2.gz RJEQMIOTWJEEMR-MRXNPFEDSA-N 1 0 320.408 2.036 10 0 DEAERO CC(C)[NH2+][C@@H]1CCN(c2c3nsnc3ccc2Cl)C1=O ZINC000088128055 185240445 /nfs/dbraw/zinc/24/04/45/185240445.db2.gz IFGJDSIGHCNGRU-SNVBAGLBSA-N 1 0 310.810 2.448 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N1CCC(C(F)(F)F)CC1 ZINC000088417174 185249337 /nfs/dbraw/zinc/24/93/37/185249337.db2.gz ZQRPMJNOQHZZSG-STQMWFEESA-N 1 0 304.360 2.473 10 0 DEAERO Cc1nnc(N2CCC(C(F)(F)F)CC2)c(C(N)=[NH2+])c1C ZINC000088421423 185249435 /nfs/dbraw/zinc/24/94/35/185249435.db2.gz VWQVJQWLALGZIA-UHFFFAOYSA-N 1 0 301.316 2.156 10 0 DEAERO CC[NH2+][C@](C)(C[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC000088435409 185250499 /nfs/dbraw/zinc/25/04/99/185250499.db2.gz PQYNMSBPKIYAII-NTZNESFSSA-N 1 0 310.360 2.492 10 0 DEAERO CC(C)(C)[NH2+]Cc1ccc(S(=O)(=O)NC2CCCC2)o1 ZINC000088541906 185255936 /nfs/dbraw/zinc/25/59/36/185255936.db2.gz LAMQOAMIQBTANA-UHFFFAOYSA-N 1 0 300.424 2.389 10 0 DEAERO CC(C)CCNS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088542025 185256446 /nfs/dbraw/zinc/25/64/46/185256446.db2.gz QGAPTOXLOHRZIF-UHFFFAOYSA-N 1 0 302.440 2.350 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@H](C)C(C)C)o1 ZINC000088543864 185256660 /nfs/dbraw/zinc/25/66/60/185256660.db2.gz KIFAHOYBTXNGSZ-GFCCVEGCSA-N 1 0 302.440 2.443 10 0 DEAERO C[NH2+]Cc1ccc(OCc2ncnn2C)c(C(F)(F)F)c1 ZINC000088571821 185258156 /nfs/dbraw/zinc/25/81/56/185258156.db2.gz VMUUSAPFFCZXNO-UHFFFAOYSA-N 1 0 300.284 2.132 10 0 DEAERO Cc1ccc2c(N)c(C(=O)NC3CC[NH+](C)CC3)sc2n1 ZINC000088640355 185260732 /nfs/dbraw/zinc/26/07/32/185260732.db2.gz KBWTTXVBIDESPO-UHFFFAOYSA-N 1 0 304.419 2.011 10 0 DEAERO [NH3+]CCCCc1nc(-c2cccc(-n3cnnn3)c2)cs1 ZINC000088870563 185267528 /nfs/dbraw/zinc/26/75/28/185267528.db2.gz FTBIREFJUWCQTQ-UHFFFAOYSA-N 1 0 300.391 2.067 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)CCCOC)c1cc(C)ccc1C ZINC000081986497 192349218 /nfs/dbraw/zinc/34/92/18/192349218.db2.gz LQAWGJDFFHECCF-MRXNPFEDSA-N 1 0 313.463 2.405 10 0 DEAERO COCCCS(=O)(=O)C[C@H]([NH3+])c1cccc2ccccc21 ZINC000081985914 192349374 /nfs/dbraw/zinc/34/93/74/192349374.db2.gz NWFDIDXOHYUPFA-INIZCTEOSA-N 1 0 307.415 2.291 10 0 DEAERO CC[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1S(=O)(=O)C(C)C ZINC000081981729 192349559 /nfs/dbraw/zinc/34/95/59/192349559.db2.gz XCCVRXGRRIPGSV-JKSUJKDBSA-N 1 0 311.447 2.484 10 0 DEAERO [NH3+][C@H]1CCCC[C@@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982815 192350036 /nfs/dbraw/zinc/35/00/36/192350036.db2.gz VZGDCABSKIKGPB-RYUDHWBXSA-N 1 0 318.236 2.493 10 0 DEAERO COC(OC)[C@](C)(C[NH3+])Nc1ccccc1Br ZINC000090266745 185288380 /nfs/dbraw/zinc/28/83/80/185288380.db2.gz CFZFWGVCPAJRSC-LBPRGKRZSA-N 1 0 303.200 2.197 10 0 DEAERO COC(C[C@](C)(C[NH3+])N(C)Cc1ccccc1Cl)OC ZINC000090265795 185288381 /nfs/dbraw/zinc/28/83/81/185288381.db2.gz MIGKRRDYRPDXSS-OAHLLOKOSA-N 1 0 300.830 2.498 10 0 DEAERO CCN(CC(=O)Nc1cccc(Cl)c1Cl)C1C[NH2+]C1 ZINC000090291886 185289605 /nfs/dbraw/zinc/28/96/05/185289605.db2.gz QOAJQCNNDLOFET-UHFFFAOYSA-N 1 0 302.205 2.226 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1cc2c(s1)CCCCC2 ZINC000090312389 185290564 /nfs/dbraw/zinc/29/05/64/185290564.db2.gz RXEUVXXURMTWPK-JMSVASOKSA-N 1 0 308.447 2.252 10 0 DEAERO CC[C@H]([NH3+])CSCC(=O)NC(=O)c1ccccc1Cl ZINC000090357202 185292338 /nfs/dbraw/zinc/29/23/38/185292338.db2.gz KNWRLFYXPNGCKK-VIFPVBQESA-N 1 0 300.811 2.067 10 0 DEAERO [NH3+][C@H]1COC[C@H]1c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000090364621 185292708 /nfs/dbraw/zinc/29/27/08/185292708.db2.gz OXVMHKTZXOFAGF-KCJUWKMLSA-N 1 0 314.172 2.408 10 0 DEAERO CCn1c2ccc(Br)cc2nc1[C@@H]1COC[C@@H]1[NH3+] ZINC000090363755 185292738 /nfs/dbraw/zinc/29/27/38/185292738.db2.gz XUUNLOAKNCVUBK-ZJUUUORDSA-N 1 0 310.195 2.260 10 0 DEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000090487256 185298920 /nfs/dbraw/zinc/29/89/20/185298920.db2.gz FXWVFECOSOVMOK-SKDRFNHKSA-N 1 0 302.296 2.268 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1ccccc1SCC(F)(F)F ZINC000090380239 185293595 /nfs/dbraw/zinc/29/35/95/185293595.db2.gz KGWLQTZXUIXIEL-DTWKUNHWSA-N 1 0 320.336 2.253 10 0 DEAERO Cc1nc(-c2cccc(NC(=O)[C@@H]3COC[C@H]3[NH3+])c2)cs1 ZINC000090380492 185293697 /nfs/dbraw/zinc/29/36/97/185293697.db2.gz IUUZJELFJBDGMK-CHWSQXEVSA-N 1 0 303.387 2.031 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000090378665 185293794 /nfs/dbraw/zinc/29/37/94/185293794.db2.gz CINDIXODOLJRCD-CBAPKCEASA-N 1 0 308.687 2.271 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1c1nc2cc(Br)ccc2n1C ZINC000090388590 185294078 /nfs/dbraw/zinc/29/40/78/185294078.db2.gz DFJBPGZXTHTOCX-ONGXEEELSA-N 1 0 310.195 2.038 10 0 DEAERO C[C@H](C[NH3+])CS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000166453253 197692697 /nfs/dbraw/zinc/69/26/97/197692697.db2.gz XLSFYOJFYOCNFM-SECBINFHSA-N 1 0 311.325 2.095 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000090423984 185295713 /nfs/dbraw/zinc/29/57/13/185295713.db2.gz HZJRSJYYHBBCTP-PWSUYJOCSA-N 1 0 311.744 2.155 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000090434845 185296178 /nfs/dbraw/zinc/29/61/78/185296178.db2.gz UHKJUOKRHNJBBQ-WCQYABFASA-N 1 0 317.216 2.186 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000090434847 185296331 /nfs/dbraw/zinc/29/63/31/185296331.db2.gz UHKJUOKRHNJBBQ-DGCLKSJQSA-N 1 0 317.216 2.186 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1c1nc2cc(Br)ccc2[nH]1 ZINC000090472512 185298211 /nfs/dbraw/zinc/29/82/11/185298211.db2.gz BXXQOUQWRJOBGP-BXKDBHETSA-N 1 0 310.195 2.417 10 0 DEAERO C[C@]1(C(=O)Nc2cc(Cl)cc3cccnc32)COC[C@@H]1[NH3+] ZINC000090585361 185305256 /nfs/dbraw/zinc/30/52/56/185305256.db2.gz BIBSTIDOIDKIJV-WFASDCNBSA-N 1 0 305.765 2.191 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090589946 185305484 /nfs/dbraw/zinc/30/54/84/185305484.db2.gz DSARACRUQUVKLX-ZFWWWQNUSA-N 1 0 312.797 2.431 10 0 DEAERO Cc1ccc(Br)cc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090588845 185305524 /nfs/dbraw/zinc/30/55/24/185305524.db2.gz WTVOATUVHSNKHZ-YPMHNXCESA-N 1 0 313.195 2.060 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1OC ZINC000090538711 185301647 /nfs/dbraw/zinc/30/16/47/185301647.db2.gz CONHLKPMTCAGLX-AAEUAGOBSA-N 1 0 312.797 2.302 10 0 DEAERO C[C@@]1(C(=O)NCCc2ccc(Cl)cc2Cl)COC[C@@H]1[NH3+] ZINC000090581428 185304835 /nfs/dbraw/zinc/30/48/35/185304835.db2.gz NWVKHHIVDMNWJV-GXTWGEPZSA-N 1 0 317.216 2.016 10 0 DEAERO COc1ccc(Br)cc1C[S@](=O)CC[C@@H](C)[NH3+] ZINC000166822392 197700034 /nfs/dbraw/zinc/70/00/34/197700034.db2.gz ROPUXQCXYARBLT-XLFHBGCDSA-N 1 0 320.252 2.444 10 0 DEAERO Cc1cc(C(=O)N2CCCSC[C@@H]2C[NH+]2CCCCC2)no1 ZINC000090701632 185310647 /nfs/dbraw/zinc/31/06/47/185310647.db2.gz JQHAQXWEFWODPB-AWEZNQCLSA-N 1 0 323.462 2.417 10 0 DEAERO Cn1cc(C[NH2+][C@@H]2CCCc3c2cnn3C)c(C(F)(F)F)n1 ZINC000090666106 185308554 /nfs/dbraw/zinc/30/85/54/185308554.db2.gz WNSLZPSZCCNVOX-LLVKDONJSA-N 1 0 313.327 2.340 10 0 DEAERO CC[N@@H+]1CC[C@@H](NCc2cn(C)nc2C(F)(F)F)[C@H](C)C1 ZINC000090666182 185308801 /nfs/dbraw/zinc/30/88/01/185308801.db2.gz JQYRYQTWYAMMRG-ZYHUDNBSSA-N 1 0 304.360 2.259 10 0 DEAERO CCCCS(=O)(=O)[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C ZINC000092388681 185315345 /nfs/dbraw/zinc/31/53/45/185315345.db2.gz CBGNLYUKWOVPMR-HOTGVXAUSA-N 1 0 311.447 2.485 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](Sc1nccc(=O)[nH]1)CC2 ZINC000092389346 185315566 /nfs/dbraw/zinc/31/55/66/185315566.db2.gz KPEFAFIPTZIVQV-TZMCWYRMSA-N 1 0 303.387 2.298 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000092395287 185315874 /nfs/dbraw/zinc/31/58/74/185315874.db2.gz HGFZNQWKUWYWHK-QWHCGFSZSA-N 1 0 302.212 2.089 10 0 DEAERO CC[C@](C)([C@@H](O)Cc1ccc(Br)cn1)[NH+](C)C ZINC000167331932 197707223 /nfs/dbraw/zinc/70/72/23/197707223.db2.gz DHOXKZVKXBPGRV-QWHCGFSZSA-N 1 0 301.228 2.478 10 0 DEAERO CC(C)[N@H+](C)CCn1c(N)nc2cc(Br)cnc21 ZINC000092575855 185326755 /nfs/dbraw/zinc/32/67/55/185326755.db2.gz INJIQZFHMHRMFF-UHFFFAOYSA-N 1 0 312.215 2.116 10 0 DEAERO COc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc2c1OCCO2 ZINC000092616050 185329488 /nfs/dbraw/zinc/32/94/88/185329488.db2.gz PNGAPIQFQXOBFY-OAHLLOKOSA-N 1 0 318.417 2.137 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000092623062 185329706 /nfs/dbraw/zinc/32/97/06/185329706.db2.gz BAODFKOKKOEVLK-NSHDSACASA-N 1 0 304.362 2.189 10 0 DEAERO CC1(C)C(CNS(=O)(=O)c2ccc(CC[NH3+])s2)C1(C)C ZINC000092820278 185343764 /nfs/dbraw/zinc/34/37/64/185343764.db2.gz DBNJTBRCAHWPLG-UHFFFAOYSA-N 1 0 316.492 2.210 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cc1 ZINC000092820279 185343887 /nfs/dbraw/zinc/34/38/87/185343887.db2.gz QMNUXDHBICUULC-UHFFFAOYSA-N 1 0 310.463 2.367 10 0 DEAERO CC(C)[NH2+]Cc1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)c[nH]1 ZINC000092833228 185344977 /nfs/dbraw/zinc/34/49/77/185344977.db2.gz JZIDQDDOLQLQGA-UHFFFAOYSA-N 1 0 313.467 2.226 10 0 DEAERO CCCCS(=O)(=O)[C@@H]1Cc2ccc(OC)cc2[C@H]1[NH2+]CC ZINC000092859232 185346888 /nfs/dbraw/zinc/34/68/88/185346888.db2.gz PVEDLYBVEIVFTI-HZPDHXFCSA-N 1 0 311.447 2.485 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](Sc1nnc(N(C)C)s1)C2 ZINC000092860049 185346991 /nfs/dbraw/zinc/34/69/91/185346991.db2.gz MRWOGIHTEYCPJI-NEPJUHHUSA-N 1 0 322.459 2.330 10 0 DEAERO C[N@@H+]1CCC[C@H](CNc2ccc3nnnn3n2)[C@@H]1c1ccccc1 ZINC000095396576 185352910 /nfs/dbraw/zinc/35/29/10/185352910.db2.gz IYCRVFMRRVYHFZ-PBHICJAKSA-N 1 0 323.404 2.014 10 0 DEAERO COc1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)cc1OC(F)F ZINC000092953028 185350414 /nfs/dbraw/zinc/35/04/14/185350414.db2.gz MWVNHYWGIHYQLV-WCBMZHEXSA-N 1 0 300.305 2.233 10 0 DEAERO COc1ccc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1OC(F)F ZINC000092953027 185350444 /nfs/dbraw/zinc/35/04/44/185350444.db2.gz MWVNHYWGIHYQLV-PSASIEDQSA-N 1 0 300.305 2.233 10 0 DEAERO C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1cccc(Cl)c1 ZINC000181410317 199293258 /nfs/dbraw/zinc/29/32/58/199293258.db2.gz JAQOBGXXIKQZSH-SNVBAGLBSA-N 1 0 309.797 2.321 10 0 DEAERO COC1(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCC1 ZINC000181495018 199306012 /nfs/dbraw/zinc/30/60/12/199306012.db2.gz UILKUJBDLKPGMQ-CVEARBPZSA-N 1 0 317.433 2.300 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)CCc1ccccc1F ZINC000036191034 539334038 /nfs/dbraw/zinc/33/40/38/539334038.db2.gz PSLDUWJZYDUJBT-CYBMUJFWSA-N 1 0 316.442 2.018 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1cncc2ccccc21 ZINC000097181397 185419229 /nfs/dbraw/zinc/41/92/29/185419229.db2.gz PMTBPUVQIVNLAP-LRDDRELGSA-N 1 0 304.415 2.320 10 0 DEAERO CC(=O)N1CCC([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000078911601 539371502 /nfs/dbraw/zinc/37/15/02/539371502.db2.gz RRJZJWABJYHUIR-INIZCTEOSA-N 1 0 301.434 2.113 10 0 DEAERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)C1=CCCC1 ZINC000328629891 529948799 /nfs/dbraw/zinc/94/87/99/529948799.db2.gz PGYKNZVAIQWWMI-DOTOQJQBSA-N 1 0 316.449 2.372 10 0 DEAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1OC ZINC000183181716 199551186 /nfs/dbraw/zinc/55/11/86/199551186.db2.gz UZPQTHWIZAGDSE-DYEKYZERSA-N 1 0 322.405 2.188 10 0 DEAERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000614335504 362353010 /nfs/dbraw/zinc/35/30/10/362353010.db2.gz PSWMGAWYZPSAEY-CYBMUJFWSA-N 1 0 302.378 2.226 10 0 DEAERO CCn1cc([C@H]2CN(Cc3cn4ccccc4n3)CCO2)cn1 ZINC000191715650 282334636 /nfs/dbraw/zinc/33/46/36/282334636.db2.gz JMJOYRDZQZOVAZ-MRXNPFEDSA-N 1 0 311.389 2.124 10 0 DEAERO C[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000086889423 539404325 /nfs/dbraw/zinc/40/43/25/539404325.db2.gz UTIZZWIQRUGVJH-UKRRQHHQSA-N 1 0 310.463 2.435 10 0 DEAERO Cc1cccc(C)c1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000193800761 282357608 /nfs/dbraw/zinc/35/76/08/282357608.db2.gz CDGOWDLYYCIRRF-OAHLLOKOSA-N 1 0 319.449 2.334 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCC2(C)COC2)C1 ZINC000112717795 539441532 /nfs/dbraw/zinc/44/15/32/539441532.db2.gz ZOYKZGRHEYWNPB-OKILXGFUSA-N 1 0 311.470 2.079 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C1CC1)C1CCCC1 ZINC000245419046 282385975 /nfs/dbraw/zinc/38/59/75/282385975.db2.gz GTMNBACTCIVRGG-QAPCUYQASA-N 1 0 319.493 2.479 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC2CCCCC2)CC1 ZINC000108535567 185520820 /nfs/dbraw/zinc/52/08/20/185520820.db2.gz ZMIUKVRDWYMBJQ-KRWDZBQOSA-N 1 0 322.497 2.131 10 0 DEAERO COc1c(CN(CCC[NH3+])c2cccc(F)c2)c(C)nn1C ZINC000183220107 199558460 /nfs/dbraw/zinc/55/84/60/199558460.db2.gz AOBCCCMDRJYAKQ-UHFFFAOYSA-N 1 0 306.385 2.232 10 0 DEAERO CC(C)(C)OC(=O)CCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000181801604 199353563 /nfs/dbraw/zinc/35/35/63/199353563.db2.gz FBUFSHVXJWBPIR-UHFFFAOYSA-N 1 0 320.437 2.475 10 0 DEAERO C[C@H](CCc1ccco1)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111245888 185563807 /nfs/dbraw/zinc/56/38/07/185563807.db2.gz YCCPOPFQAPFVGZ-MFKMUULPSA-N 1 0 304.312 2.259 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cccnc1Br ZINC000229614305 201842474 /nfs/dbraw/zinc/84/24/74/201842474.db2.gz IGAFXTMOMSCLMO-SNVBAGLBSA-N 1 0 312.211 2.010 10 0 DEAERO CC(C)C[C@@H](C[NH3+])NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000111366984 185588211 /nfs/dbraw/zinc/58/82/11/185588211.db2.gz PIIJXLGWCVUREA-LURJTMIESA-N 1 0 310.266 2.485 10 0 DEAERO CC[NH2+][C@@H](C)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000111714677 185629228 /nfs/dbraw/zinc/62/92/28/185629228.db2.gz GVFDFLXWHVTGKG-LBPRGKRZSA-N 1 0 314.426 2.224 10 0 DEAERO CC(C)CCS(=O)(=O)N1CCC[C@@H](C[NH2+]CC(C)C)C1 ZINC000111719908 185631426 /nfs/dbraw/zinc/63/14/26/185631426.db2.gz FYXPZWDNINFAJL-HNNXBMFYSA-N 1 0 304.500 2.320 10 0 DEAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1C ZINC000111720160 185631468 /nfs/dbraw/zinc/63/14/68/185631468.db2.gz MKPJXNZINMQBJX-CQSZACIVSA-N 1 0 314.426 2.287 10 0 DEAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000111720305 185631646 /nfs/dbraw/zinc/63/16/46/185631646.db2.gz WJTFJNYKZHMXNX-GFCCVEGCSA-N 1 0 318.389 2.118 10 0 DEAERO [NH3+]C[C@H](NC(=O)N1CCO[C@H](C2CCCCC2)C1)C1CCCC1 ZINC000333810428 282969282 /nfs/dbraw/zinc/96/92/82/282969282.db2.gz JEMDIZWNWQCQCW-IRXDYDNUSA-N 1 0 323.481 2.495 10 0 DEAERO CC[NH2+]Cc1cc(Cl)c(OCCCC(=O)NC)c(OC)c1 ZINC000068816088 190784552 /nfs/dbraw/zinc/78/45/52/190784552.db2.gz XBPAYZKZVNYYNE-UHFFFAOYSA-N 1 0 314.813 2.363 10 0 DEAERO C[NH2+][C@@H](C)c1cc(Br)ccc1OC[C@H](O)COC ZINC000069053796 190795373 /nfs/dbraw/zinc/79/53/73/190795373.db2.gz IETQFXGMORKRIP-GXSJLCMTSA-N 1 0 318.211 2.116 10 0 DEAERO CC[NH2+][C@@H](c1cc(OC)ccc1OC)C(C)(C)S(C)(=O)=O ZINC000070128769 190859969 /nfs/dbraw/zinc/85/99/69/190859969.db2.gz AJHVTOUAWXKANN-AWEZNQCLSA-N 1 0 315.435 2.178 10 0 DEAERO CC(C)[NH+](CCNc1ccc(S(N)(=O)=O)cc1F)C(C)C ZINC000070207297 190872274 /nfs/dbraw/zinc/87/22/74/190872274.db2.gz CEAQSFKITDMBMC-UHFFFAOYSA-N 1 0 317.430 2.004 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1c1cccc(N)n1 ZINC000616606744 362897749 /nfs/dbraw/zinc/89/77/49/362897749.db2.gz FHZPDXGDNYSJBT-CYBMUJFWSA-N 1 0 306.410 2.325 10 0 DEAERO CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@@H]1CC[NH3+] ZINC000616693355 362911347 /nfs/dbraw/zinc/91/13/47/362911347.db2.gz YIHYLJATJWIHMG-INIZCTEOSA-N 1 0 319.449 2.459 10 0 DEAERO c1cc(C[NH+]2CCC(Cn3cncn3)CC2)n(-c2ccccc2)n1 ZINC000279886844 215208495 /nfs/dbraw/zinc/20/84/95/215208495.db2.gz SJDHRBWYQCIMCZ-UHFFFAOYSA-N 1 0 322.416 2.376 10 0 DEAERO Cc1ccc(-c2cc3c(N4CC[NH2+]CC4)nccn3n2)cc1C ZINC000070459154 190898000 /nfs/dbraw/zinc/89/80/00/190898000.db2.gz OEKGQDJOYQUVFH-UHFFFAOYSA-N 1 0 307.401 2.423 10 0 DEAERO C[C@H]1CCN(C(=O)N[C@H]2CCOc3c(F)cccc32)[C@H](C[NH3+])C1 ZINC000333830723 282976002 /nfs/dbraw/zinc/97/60/02/282976002.db2.gz STBJZWVJFWMXOO-HUBLWGQQSA-N 1 0 321.396 2.418 10 0 DEAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)[C@@H]1CCCO1 ZINC000183179753 539660560 /nfs/dbraw/zinc/66/05/60/539660560.db2.gz MEFJBAURILISTG-MFKMUULPSA-N 1 0 314.332 2.384 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(C)c3)C2=O)n(C)n1 ZINC000080526938 192165202 /nfs/dbraw/zinc/16/52/02/192165202.db2.gz DZRFDAHWVTZLMK-INIZCTEOSA-N 1 0 312.417 2.322 10 0 DEAERO C[NH2+][C@@H]1CCCN(Cc2ccc(Br)s2)C1=O ZINC000070600986 190907996 /nfs/dbraw/zinc/90/79/96/190907996.db2.gz BXHFWUNGGRTSAY-SECBINFHSA-N 1 0 303.225 2.221 10 0 DEAERO C[C@@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000185246423 539671177 /nfs/dbraw/zinc/67/11/77/539671177.db2.gz FOQYCKDKDZCOCS-CYBMUJFWSA-N 1 0 321.421 2.112 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000187853356 539680255 /nfs/dbraw/zinc/68/02/55/539680255.db2.gz KJDCQUJEFKFNPU-CVEARBPZSA-N 1 0 311.470 2.367 10 0 DEAERO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH+](C)C)CC1 ZINC000189032332 539686178 /nfs/dbraw/zinc/68/61/78/539686178.db2.gz FGEYNRQUKADOLP-ZDUSSCGKSA-N 1 0 310.463 2.177 10 0 DEAERO CCCN(CC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CC[NH2+]C1 ZINC000071331634 190959317 /nfs/dbraw/zinc/95/93/17/190959317.db2.gz HSRFRMQAQADPRU-GFCCVEGCSA-N 1 0 313.804 2.492 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccnc2SC(F)F)C1 ZINC000170856454 197837606 /nfs/dbraw/zinc/83/76/06/197837606.db2.gz DYPNAXRGVYCVFX-VIFPVBQESA-N 1 0 301.362 2.172 10 0 DEAERO [NH3+]Cc1nc(CC(=O)Nc2nc3ccccc3s2)cs1 ZINC000071696105 191008214 /nfs/dbraw/zinc/00/82/14/191008214.db2.gz CLVDQOAGHUAIOH-UHFFFAOYSA-N 1 0 304.400 2.393 10 0 DEAERO C[NH2+][C@H]1CC[C@@H](S(=O)(=O)c2cccc(Br)c2)C1 ZINC000084433858 192430129 /nfs/dbraw/zinc/43/01/29/192430129.db2.gz BMRHSVGRHJYXJR-CMPLNLGQSA-N 1 0 318.236 2.363 10 0 DEAERO C[C@@H]1CCCN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)[C@@H]1C ZINC000138930990 186019380 /nfs/dbraw/zinc/01/93/80/186019380.db2.gz XZFZHMGBIQSZHC-NXEZZACHSA-N 1 0 318.389 2.233 10 0 DEAERO C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1 ZINC000139158810 186020483 /nfs/dbraw/zinc/02/04/83/186020483.db2.gz KFYMFLWHLAJQDP-ZJUUUORDSA-N 1 0 318.389 2.233 10 0 DEAERO CC[C@@H](C[NH3+])Cc1nc(-c2ncccc2Br)no1 ZINC000139863461 186024835 /nfs/dbraw/zinc/02/48/35/186024835.db2.gz BZSZEYPEUZIGDZ-MRVPVSSYSA-N 1 0 311.183 2.422 10 0 DEAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccc(-n3ccnc3)nc1)CC2 ZINC000140544549 186026603 /nfs/dbraw/zinc/02/66/03/186026603.db2.gz RCMJQSZYPGNLDI-SJLPKXTDSA-N 1 0 312.417 2.394 10 0 DEAERO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248574101 539774566 /nfs/dbraw/zinc/77/45/66/539774566.db2.gz GUTMNIMSNXDERB-KCQAQPDRSA-N 1 0 306.406 2.488 10 0 DEAERO CNc1ncc(Br)c(OCC[C@@H]2CCC[N@@H+]2C)n1 ZINC000147958509 186042536 /nfs/dbraw/zinc/04/25/36/186042536.db2.gz RNPPWROUEHQWMI-VIFPVBQESA-N 1 0 315.215 2.144 10 0 DEAERO [NH3+]Cc1ccc(C(=O)NCc2sccc2Br)o1 ZINC000148219988 186043622 /nfs/dbraw/zinc/04/36/22/186043622.db2.gz WYXCADFJTYDCON-UHFFFAOYSA-N 1 0 315.192 2.492 10 0 DEAERO CC[C@H]1N[C@H](c2ccsc2)N(CC[NH+]2CCCCC2)C1=O ZINC000144077175 186034823 /nfs/dbraw/zinc/03/48/23/186034823.db2.gz COSRYUYNSMLUNG-CABCVRRESA-N 1 0 307.463 2.443 10 0 DEAERO C[N@@H+]1CCC[C@H](CN2C(=O)C3(CC3)N[C@H]2c2ccsc2)C1 ZINC000144213877 186034884 /nfs/dbraw/zinc/03/48/84/186034884.db2.gz KUFSYTNKQLNYQU-GXTWGEPZSA-N 1 0 305.447 2.053 10 0 DEAERO O=C1N(CC[NH+]2CCCCC2)[C@@H](c2cccs2)NC12CC2 ZINC000144075399 186034909 /nfs/dbraw/zinc/03/49/09/186034909.db2.gz KRCDUHYAXUWEJX-AWEZNQCLSA-N 1 0 305.447 2.197 10 0 DEAERO CC[C@@H]1N[C@@H](c2cccs2)N(CC[NH+]2CCCCC2)C1=O ZINC000144061345 186035262 /nfs/dbraw/zinc/03/52/62/186035262.db2.gz OGCCOTZBVCQHBH-DZGCQCFKSA-N 1 0 307.463 2.443 10 0 DEAERO C[C@@H](CN1C(=O)C2(CCCC2)N[C@@H]1c1ccsc1)[NH+](C)C ZINC000144941478 186035724 /nfs/dbraw/zinc/03/57/24/186035724.db2.gz FRLYSJCAYDKHBR-JSGCOSHPSA-N 1 0 307.463 2.441 10 0 DEAERO CCc1nn(CC)c(C[NH2+]C(C)(C)[C@@H](C)O)c1Br ZINC000144923919 186035889 /nfs/dbraw/zinc/03/58/89/186035889.db2.gz KHGAHJYVGYRIJI-SECBINFHSA-N 1 0 318.259 2.477 10 0 DEAERO C[NH2+]Cc1ccc(Cl)c(S(=O)(=O)N(C)C2CCC2)c1 ZINC000144647012 186036026 /nfs/dbraw/zinc/03/60/26/186036026.db2.gz ICHVLYHAHODZHF-UHFFFAOYSA-N 1 0 302.827 2.232 10 0 DEAERO CC[C@@H]1N[C@H](c2cccs2)N([C@@H](C)C[NH+]2CCCC2)C1=O ZINC000145832413 186037783 /nfs/dbraw/zinc/03/77/83/186037783.db2.gz JVPVZVQXGSPPST-YDHLFZDLSA-N 1 0 307.463 2.441 10 0 DEAERO O=C(c1ccc(-n2ccnc2)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000148948113 186047179 /nfs/dbraw/zinc/04/71/79/186047179.db2.gz WJRIRPWUEIHFHA-UHFFFAOYSA-N 1 0 310.401 2.183 10 0 DEAERO Cc1c(C(=O)N2CCC[N@@H+](C3CC3)CC2)cnn1-c1ccccc1 ZINC000149079367 186047834 /nfs/dbraw/zinc/04/78/34/186047834.db2.gz QQJJTWRRPITGRL-UHFFFAOYSA-N 1 0 324.428 2.491 10 0 DEAERO [NH3+][C@H](Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)c1ccccc1 ZINC000150260445 186056292 /nfs/dbraw/zinc/05/62/92/186056292.db2.gz WPBIBYVLRYNNCF-TZMCWYRMSA-N 1 0 322.455 2.288 10 0 DEAERO Fc1ccc(COC[C@@H]2C[NH2+]CCO2)c(Br)c1 ZINC000163979791 186144615 /nfs/dbraw/zinc/14/46/15/186144615.db2.gz ZPKDEUGLNGYOEY-NSHDSACASA-N 1 0 304.159 2.093 10 0 DEAERO [NH3+]C[C@@H](Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000163983679 186145029 /nfs/dbraw/zinc/14/50/29/186145029.db2.gz ODIJJSSYLVUDNR-WDEREUQCSA-N 1 0 305.802 2.031 10 0 DEAERO Cc1c(C[NH2+]C2CC2)cccc1S(=O)(=O)NC1CC(C)C1 ZINC000164014618 186145966 /nfs/dbraw/zinc/14/59/66/186145966.db2.gz DWGAUPLBGDTGHF-UHFFFAOYSA-N 1 0 308.447 2.324 10 0 DEAERO COCCn1ncc(Br)c1[C@]1(F)CCC[C@@H]([NH3+])C1 ZINC000164030460 186146441 /nfs/dbraw/zinc/14/64/41/186146441.db2.gz USUKLJZNBHCJLC-SKDRFNHKSA-N 1 0 320.206 2.358 10 0 DEAERO COCCn1ncc(Br)c1[C@@]1(F)CCC[C@@H]([NH3+])C1 ZINC000164030584 186146585 /nfs/dbraw/zinc/14/65/85/186146585.db2.gz USUKLJZNBHCJLC-BXKDBHETSA-N 1 0 320.206 2.358 10 0 DEAERO CCOc1cccnc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000164108088 186149249 /nfs/dbraw/zinc/14/92/49/186149249.db2.gz DOHPOZZNTVFXNK-KGLIPLIRSA-N 1 0 303.406 2.037 10 0 DEAERO COCC[NH2+]Cc1cn(CC(=O)OC)c2cc(Cl)ccc12 ZINC000164132857 186149842 /nfs/dbraw/zinc/14/98/42/186149842.db2.gz SRJLLCFPXLLKSO-UHFFFAOYSA-N 1 0 310.781 2.204 10 0 DEAERO CCC(CC)(C[NH2+]C(C)C)CN1C[C@@H](CO)OC(C)(C)C1 ZINC000163935053 186142847 /nfs/dbraw/zinc/14/28/47/186142847.db2.gz ZHFNWWMNOMITAP-HNNXBMFYSA-N 1 0 300.487 2.263 10 0 DEAERO C[C@@H](C(=O)N[C@@H](C)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000163930943 186142962 /nfs/dbraw/zinc/14/29/62/186142962.db2.gz XZDXOOZNSYIZLC-ZJUUUORDSA-N 1 0 311.223 2.482 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@H](C)C[NH2+]CC ZINC000164212181 186151869 /nfs/dbraw/zinc/15/18/69/186151869.db2.gz QVCHUXUKFIWZRK-SECBINFHSA-N 1 0 302.216 2.484 10 0 DEAERO CC(C)n1ncc(Br)c1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000164255412 186153757 /nfs/dbraw/zinc/15/37/57/186153757.db2.gz NDFWHIOTFOLIJT-LBPRGKRZSA-N 1 0 300.200 2.409 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000164254688 186153894 /nfs/dbraw/zinc/15/38/94/186153894.db2.gz QLGDJKSQSJASLZ-LBPRGKRZSA-N 1 0 300.200 2.238 10 0 DEAERO CC(C)[C@@H](O)CNC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000175638460 186183573 /nfs/dbraw/zinc/18/35/73/186183573.db2.gz XRNPGMKUAVILNA-WBVHZDCISA-N 1 0 321.465 2.213 10 0 DEAERO Cc1ccccc1Cc1noc(CN2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000175654126 186185065 /nfs/dbraw/zinc/18/50/65/186185065.db2.gz HPKSBHLUCFXZKW-MRXNPFEDSA-N 1 0 312.417 2.249 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(OC(C)(C)C)nc2)C1 ZINC000183883879 186227622 /nfs/dbraw/zinc/22/76/22/186227622.db2.gz FTHHNFXOHSYUBJ-AWEZNQCLSA-N 1 0 320.437 2.104 10 0 DEAERO C[C@](O)(C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1)c1ccccc1 ZINC000183888391 186228015 /nfs/dbraw/zinc/22/80/15/186228015.db2.gz YRJKQNDUJKTRKI-SJORKVTESA-N 1 0 305.418 2.369 10 0 DEAERO OCCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186074541 186238610 /nfs/dbraw/zinc/23/86/10/186238610.db2.gz CCVASHQCZPSSPQ-AWEZNQCLSA-N 1 0 322.206 2.301 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000191838797 186261884 /nfs/dbraw/zinc/26/18/84/186261884.db2.gz VFKPBQWQYRRGFU-WFASDCNBSA-N 1 0 308.397 2.319 10 0 DEAERO CC(=O)Nc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000171888294 198001703 /nfs/dbraw/zinc/00/17/03/198001703.db2.gz SMDKAXFNNZKVDC-CQSZACIVSA-N 1 0 316.405 2.265 10 0 DEAERO CCOc1ccc(OC)cc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171894861 198002910 /nfs/dbraw/zinc/00/29/10/198002910.db2.gz DYKVKOHREPBUJQ-CYBMUJFWSA-N 1 0 319.405 2.406 10 0 DEAERO CCS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000171981701 198020446 /nfs/dbraw/zinc/02/04/46/198020446.db2.gz MIEAJTRCIQOADT-SECBINFHSA-N 1 0 308.806 2.069 10 0 DEAERO CCN(C(C)=O)c1nc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cs1 ZINC000172083306 198036806 /nfs/dbraw/zinc/03/68/06/198036806.db2.gz MSNAIOAMENUZJP-SWLSCSKDSA-N 1 0 322.478 2.184 10 0 DEAERO C[NH+]1CCC(CNC(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000172104051 198039939 /nfs/dbraw/zinc/03/99/39/198039939.db2.gz MBWQKICFMRXRFE-UHFFFAOYSA-N 1 0 315.377 2.200 10 0 DEAERO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c2)n1 ZINC000333880876 282985619 /nfs/dbraw/zinc/98/56/19/282985619.db2.gz DLFLYRJQLDQPRM-MJBXVCDLSA-N 1 0 313.405 2.429 10 0 DEAERO C[C@H](O)C1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172801874 198151450 /nfs/dbraw/zinc/15/14/50/198151450.db2.gz ANXRNLOPMTWBSW-BBRMVZONSA-N 1 0 304.390 2.105 10 0 DEAERO C[C@@H](CNC(=O)c1cnc(-c2ccncc2)s1)[N@H+](C)C1CC1 ZINC000172897264 198165021 /nfs/dbraw/zinc/16/50/21/198165021.db2.gz NVOMSOPCGMJJSJ-NSHDSACASA-N 1 0 316.430 2.418 10 0 DEAERO COc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000072897503 191249600 /nfs/dbraw/zinc/24/96/00/191249600.db2.gz SXWYWASIEDJDFI-STQMWFEESA-N 1 0 319.405 2.464 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCn3ccnc3C2)cc1 ZINC000329715370 539928344 /nfs/dbraw/zinc/92/83/44/539928344.db2.gz UWURMTNBJHNNDV-WFASDCNBSA-N 1 0 324.384 2.134 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(c3ncnc4sc5c(c43)CCC5)C[C@H]12 ZINC000333912624 282987479 /nfs/dbraw/zinc/98/74/79/282987479.db2.gz LVOKRHHJEOHJAX-ZMLRMANQSA-N 1 0 300.431 2.354 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccc(F)cc2)CC[N@@H+]1C ZINC000173189885 198193591 /nfs/dbraw/zinc/19/35/91/198193591.db2.gz JBDOOZUYFSGHAT-BBRMVZONSA-N 1 0 307.413 2.492 10 0 DEAERO [NH3+][C@H]1CCCN(C(=O)Nc2nc(CN3CCCCC3)cs2)C1 ZINC000333114408 539948556 /nfs/dbraw/zinc/94/85/56/539948556.db2.gz HBFMVXLSKZTKJP-LBPRGKRZSA-N 1 0 323.466 2.084 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173279369 198205317 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CCc1nnc(CN(C)[C@H](C)Cc2ccccc2OC)n1C ZINC000174030944 198283591 /nfs/dbraw/zinc/28/35/91/198283591.db2.gz OHTXQBMTHDLLOH-CYBMUJFWSA-N 1 0 302.422 2.449 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(CCOc2cc(C)ccc2C)CC1 ZINC000174074743 198288075 /nfs/dbraw/zinc/28/80/75/198288075.db2.gz RNKJERGDEHLHCP-QGZVFWFLSA-N 1 0 306.450 2.071 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000174087128 198290012 /nfs/dbraw/zinc/29/00/12/198290012.db2.gz AUWPEEFFXGHCCN-AWEZNQCLSA-N 1 0 314.376 2.177 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(O)c1 ZINC000174197585 198304882 /nfs/dbraw/zinc/30/48/82/198304882.db2.gz UZVMYGWWJNNSER-HUUCEWRRSA-N 1 0 303.406 2.160 10 0 DEAERO CC[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174639825 198363589 /nfs/dbraw/zinc/36/35/89/198363589.db2.gz WGYUXGALODWQFP-CZUORRHYSA-N 1 0 324.852 2.186 10 0 DEAERO O=C(Nc1cccc(N2CCCC2=O)c1)N[C@@H]1CCCC[NH2+]C1 ZINC000333157378 282923411 /nfs/dbraw/zinc/92/34/11/282923411.db2.gz LJOUEQRGUUZHNQ-CQSZACIVSA-N 1 0 316.405 2.077 10 0 DEAERO CC(C)OCCCC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000182304655 199416535 /nfs/dbraw/zinc/41/65/35/199416535.db2.gz FMOODDMIGMPVIW-KRWDZBQOSA-N 1 0 306.450 2.481 10 0 DEAERO CCC(=O)C1(c2ccccc2)CC[NH+](CCOCCO)CC1 ZINC000003623455 181042009 /nfs/dbraw/zinc/04/20/09/181042009.db2.gz FVYYUBRKVVOOAV-UHFFFAOYSA-N 1 0 305.418 2.008 10 0 in-man DEAERO CC(C)C[C@H]1OCCC[C@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333545329 282949227 /nfs/dbraw/zinc/94/92/27/282949227.db2.gz JTMCXOZLDBBXPN-HZPDHXFCSA-N 1 0 323.481 2.365 10 0 DEAERO O=C([C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)N1CCOCC1 ZINC000073369007 191309647 /nfs/dbraw/zinc/30/96/47/191309647.db2.gz GFPMSIFADXDHDX-AWEZNQCLSA-N 1 0 324.371 2.036 10 0 DEAERO CN(C)C(=O)C1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000073404881 354957119 /nfs/dbraw/zinc/95/71/19/354957119.db2.gz IRTLSZVHUJOROA-UHFFFAOYSA-N 1 0 312.417 2.173 10 0 DEAERO COc1cc2nc(Cl)nc(NC3CC[NH2+]CC3)c2cc1OC ZINC000073735596 191349818 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ZINC000134400105 355859582 /nfs/dbraw/zinc/85/95/82/355859582.db2.gz DKHYNQATCBBSJB-GHMZBOCLSA-N 1 0 322.232 2.484 10 0 DEAERO COc1ccc(CC2CCN(C(=O)C[NH2+]C3CC3)CC2)cc1 ZINC000154361464 355942290 /nfs/dbraw/zinc/94/22/90/355942290.db2.gz VROLTYVKLODXMQ-UHFFFAOYSA-N 1 0 302.418 2.228 10 0 DEAERO CCOC(=O)CCN1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000151131689 355925258 /nfs/dbraw/zinc/92/52/58/355925258.db2.gz GYBZSGAJLGRRAX-UHFFFAOYSA-N 1 0 310.463 2.381 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C)c1F ZINC000179940914 356037632 /nfs/dbraw/zinc/03/76/32/356037632.db2.gz XITAYYGHILBTDE-CYBMUJFWSA-N 1 0 309.385 2.366 10 0 DEAERO Cc1nc(CCNC(=O)c2c[nH+]ccc2N(C)C)sc1C ZINC000183940210 199653458 /nfs/dbraw/zinc/65/34/58/199653458.db2.gz UDKHVSIUWHBQIF-UHFFFAOYSA-N 1 0 304.419 2.193 10 0 DEAERO COC[C@H](NCc1nnnn1C(C)C)c1ccc(F)c(F)c1 ZINC000181446392 356081024 /nfs/dbraw/zinc/08/10/24/356081024.db2.gz HPHPZEKTDVCNGX-ZDUSSCGKSA-N 1 0 311.336 2.010 10 0 DEAERO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000181674699 356089898 /nfs/dbraw/zinc/08/98/98/356089898.db2.gz ODUQLBIUOAIGPS-YPMHNXCESA-N 1 0 319.323 2.221 10 0 DEAERO CCC1CCC(NS(=O)(=O)c2ccccc2)(C(N)=[NH2+])CC1 ZINC000079786597 191973062 /nfs/dbraw/zinc/97/30/62/191973062.db2.gz VOBPXNJGULLCET-UHFFFAOYSA-N 1 0 309.435 2.240 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC(N)=O)c1ccc(Oc2ccccc2)cc1 ZINC000181815713 356097061 /nfs/dbraw/zinc/09/70/61/356097061.db2.gz YJENULJIKXCNTH-GFCCVEGCSA-N 1 0 313.357 2.324 10 0 DEAERO CNC(=O)[C@H]1C[C@H](c2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC000080129556 192003595 /nfs/dbraw/zinc/00/35/95/192003595.db2.gz XEHQKPNLUQMTAJ-MWLCHTKSSA-N 1 0 302.296 2.167 10 0 DEAERO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCCN1CCc2ccccc21 ZINC000183067971 356159217 /nfs/dbraw/zinc/15/92/17/356159217.db2.gz SIZSNEGPMQEQRA-HUUCEWRRSA-N 1 0 303.450 2.190 10 0 DEAERO c1cn(CCC[NH2+]Cc2ccccc2OCc2cccnc2)nn1 ZINC000184249338 356188584 /nfs/dbraw/zinc/18/85/84/356188584.db2.gz SMSUAYLKVAYPFU-UHFFFAOYSA-N 1 0 323.400 2.432 10 0 DEAERO CC(C)CCCNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184828605 356198007 /nfs/dbraw/zinc/19/80/07/356198007.db2.gz OSWYXAYEOSKSQR-OAHLLOKOSA-N 1 0 313.486 2.157 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCNc2cccc(F)c2)C1 ZINC000184935408 356199841 /nfs/dbraw/zinc/19/98/41/356199841.db2.gz JDECZTQWWWUNKW-MRXNPFEDSA-N 1 0 322.428 2.411 10 0 DEAERO Cc1ccc(C[C@H](C)NS(=O)(=O)c2ccc(C[NH3+])cc2)s1 ZINC000080248217 192016959 /nfs/dbraw/zinc/01/69/59/192016959.db2.gz JQWMWODRFOQYKL-NSHDSACASA-N 1 0 324.471 2.425 10 0 DEAERO C[C@@H]([NH3+])c1csc(NC(=O)[C@H]2COc3ccccc3C2)n1 ZINC000080863577 192196600 /nfs/dbraw/zinc/19/66/00/192196600.db2.gz ILSDDOAGKCXOEN-MWLCHTKSSA-N 1 0 303.387 2.353 10 0 DEAERO COc1ccc(C(=O)Nc2nc([C@H](C)[NH3+])cs2)c(OC)c1 ZINC000080864273 192196866 /nfs/dbraw/zinc/19/68/66/192196866.db2.gz XFGNOHPLBVZKAQ-QMMMGPOBSA-N 1 0 307.375 2.432 10 0 DEAERO [NH3+]Cc1cnc(I)c(OC(F)(F)F)c1 ZINC000238568154 356303999 /nfs/dbraw/zinc/30/39/99/356303999.db2.gz UXVVHNVTYSVWTO-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO [NH3+]Cc1cnc(OC(F)(F)F)c(I)c1 ZINC000238570085 356304026 /nfs/dbraw/zinc/30/40/26/356304026.db2.gz PHJXDWCYRJTSAP-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO C[C@H]([NH2+]C1CCN(C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400528620 283157961 /nfs/dbraw/zinc/15/79/61/283157961.db2.gz QXWXOILYHXKIEA-UONOGXRCSA-N 1 0 311.470 2.316 10 0 DEAERO COC[C@@H]1CCN([C@@H](C[NH3+])c2ccccc2Br)C1 ZINC000081041529 192219020 /nfs/dbraw/zinc/21/90/20/192219020.db2.gz MQCLEPOLKDISTE-RISCZKNCSA-N 1 0 313.239 2.417 10 0 DEAERO COC[C@@H]1CCN([C@@H](C[NH3+])c2ccc(Br)o2)C1 ZINC000081049402 192219193 /nfs/dbraw/zinc/21/91/93/192219193.db2.gz WFUGOBSWHHPIKV-ZJUUUORDSA-N 1 0 303.200 2.010 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)[C@H](C)CO)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400465872 283157156 /nfs/dbraw/zinc/15/71/56/283157156.db2.gz VWZCFFGGNRAPTO-XJFOESAGSA-N 1 0 300.443 2.238 10 0 DEAERO CC[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400475206 283157393 /nfs/dbraw/zinc/15/73/93/283157393.db2.gz ZNELYXXPRGATQX-IHRRRGAJSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]1CN(c2nc(N)ns2)CC[N@H+](Cc2ccccc2)C1 ZINC000306503907 356403792 /nfs/dbraw/zinc/40/37/92/356403792.db2.gz XPWONGXFLSGNLY-LBPRGKRZSA-N 1 0 303.435 2.079 10 0 DEAERO C[NH+](C)CCCNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000081555953 192291923 /nfs/dbraw/zinc/29/19/23/192291923.db2.gz DJNXJMLCNASCIW-UHFFFAOYSA-N 1 0 314.389 2.296 10 0 DEAERO C[NH+](C)CC1CCN(c2nnc(Br)s2)CC1 ZINC000081664162 192307230 /nfs/dbraw/zinc/30/72/30/192307230.db2.gz YXMYXLUDAJXVPI-UHFFFAOYSA-N 1 0 305.245 2.079 10 0 DEAERO CCOCCOc1ccccc1C(=O)NCC([NH3+])(CC)CC ZINC000236961691 202095143 /nfs/dbraw/zinc/09/51/43/202095143.db2.gz JWAUCVTXTGQSLX-UHFFFAOYSA-N 1 0 308.422 2.349 10 0 DEAERO CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000236963341 202096474 /nfs/dbraw/zinc/09/64/74/202096474.db2.gz FINMGCSULNSZOK-GXTWGEPZSA-N 1 0 303.406 2.201 10 0 DEAERO COC1(OC)CC(C[NH3+])(c2ccccc2Br)C1 ZINC000086035404 192545151 /nfs/dbraw/zinc/54/51/51/192545151.db2.gz RDIXHGZEOBSSOI-UHFFFAOYSA-N 1 0 300.196 2.429 10 0 DEAERO CCN(Cc1ccccc1NC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)=O ZINC000236982367 202106735 /nfs/dbraw/zinc/10/67/35/202106735.db2.gz XRNVMSHOMWQNKE-ZFWWWQNUSA-N 1 0 303.406 2.121 10 0 DEAERO CC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)[C@@H](CC)C[NH2+]1 ZINC000086448519 192572744 /nfs/dbraw/zinc/57/27/44/192572744.db2.gz ZMOKIYJSXSRZIT-STQMWFEESA-N 1 0 316.854 2.491 10 0 DEAERO COC(=O)[C@@]1(NCC(C)C)CCC[N@H+](Cc2ccccc2)C1 ZINC000381831267 356673164 /nfs/dbraw/zinc/67/31/64/356673164.db2.gz NUKVSYXCPBDFCG-GOSISDBHSA-N 1 0 304.434 2.440 10 0 DEAERO OCCN1CCC[C@@H]([NH2+]Cc2sccc2Br)C1 ZINC000384413509 356683400 /nfs/dbraw/zinc/68/34/00/356683400.db2.gz XDTKOCCBYKFUCK-SNVBAGLBSA-N 1 0 319.268 2.057 10 0 DEAERO C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(C)(C)O ZINC000393967061 356713826 /nfs/dbraw/zinc/71/38/26/356713826.db2.gz RNKRQFLDOCFVPL-MRVPVSSYSA-N 1 0 316.195 2.427 10 0 DEAERO CN(Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)C1CC1 ZINC000578642409 356850149 /nfs/dbraw/zinc/85/01/49/356850149.db2.gz FHYLNYDMADVDJG-HUUCEWRRSA-N 1 0 316.367 2.410 10 0 DEAERO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000578741018 356864411 /nfs/dbraw/zinc/86/44/11/356864411.db2.gz BKCCRFWUDRIZJD-GDAAHCPNSA-N 1 0 317.429 2.336 10 0 DEAERO c1ccc(-c2nc3c(c(N4C[C@H]5CCC[C@@H](C4)[NH2+]5)n2)CCC3)nc1 ZINC000579693804 357015415 /nfs/dbraw/zinc/01/54/15/357015415.db2.gz SNOWGBGVLYAYMY-OKILXGFUSA-N 1 0 321.428 2.358 10 0 DEAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2F)C1 ZINC000088919116 192658330 /nfs/dbraw/zinc/65/83/30/192658330.db2.gz HPTNVJKAFAYYGJ-AOOOYVTPSA-N 1 0 318.389 2.090 10 0 DEAERO CC(C)(C)[C@H](O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000581958212 357275298 /nfs/dbraw/zinc/27/52/98/357275298.db2.gz PXDOZBQUDDJUAP-CQSZACIVSA-N 1 0 302.422 2.316 10 0 DEAERO CCOC(=O)CCCNC(=O)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000585754603 357352822 /nfs/dbraw/zinc/35/28/22/357352822.db2.gz RXNHEORMSMSOGT-UHFFFAOYSA-N 1 0 320.433 2.313 10 0 DEAERO C[NH+](C)CCn1cc(NCc2cccc3c2OCCCO3)cn1 ZINC000589650906 357488533 /nfs/dbraw/zinc/48/85/33/357488533.db2.gz IOFDJUKMTGKTHS-UHFFFAOYSA-N 1 0 316.405 2.218 10 0 DEAERO CCC[C@@H](C(=O)NCCCn1cnc2ccccc21)[NH+](C)C ZINC000179334333 199017807 /nfs/dbraw/zinc/01/78/07/199017807.db2.gz UMDVSJPKNANCPD-INIZCTEOSA-N 1 0 302.422 2.273 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2)[C@@H]1c1ccccc1 ZINC000179469994 199041622 /nfs/dbraw/zinc/04/16/22/199041622.db2.gz ZRYACUAZIVKCHO-IRXDYDNUSA-N 1 0 323.396 2.187 10 0 DEAERO CC(C)OCCCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180462152 199162548 /nfs/dbraw/zinc/16/25/48/199162548.db2.gz CEBNWAURJFVNMW-CYBMUJFWSA-N 1 0 314.451 2.190 10 0 DEAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccco2)ncn1 ZINC000180574753 199178981 /nfs/dbraw/zinc/17/89/81/199178981.db2.gz GDSMTAPEGZDSIR-STQMWFEESA-N 1 0 301.394 2.431 10 0 DEAERO CCN(C)C(=O)CC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180670763 199194582 /nfs/dbraw/zinc/19/45/82/199194582.db2.gz TXTWGPCCQXFNGD-AWEZNQCLSA-N 1 0 300.406 2.391 10 0 DEAERO C[C@@H]([NH2+]CCCC(=O)NC(N)=O)c1ccc(F)c(Cl)c1 ZINC000180720713 199200838 /nfs/dbraw/zinc/20/08/38/199200838.db2.gz XNNQAQHDCYZMLR-MRVPVSSYSA-N 1 0 301.749 2.105 10 0 DEAERO CN1CCO[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180882956 199222619 /nfs/dbraw/zinc/22/26/19/199222619.db2.gz DSUPUGZREVLCEC-MRXNPFEDSA-N 1 0 302.374 2.492 10 0 DEAERO [NH3+]C1(C(=O)N2CC3(CCCC3)c3ccccc32)CCOCC1 ZINC000261905171 283398168 /nfs/dbraw/zinc/39/81/68/283398168.db2.gz SFFMCWPXSIJUNI-UHFFFAOYSA-N 1 0 300.402 2.353 10 0 DEAERO CCCN(CC(F)(F)F)S(=O)(=O)CCCC[NH2+]C(C)C ZINC000089008892 192694818 /nfs/dbraw/zinc/69/48/18/192694818.db2.gz LFFPLBDMHKBTTI-UHFFFAOYSA-N 1 0 318.405 2.369 10 0 DEAERO O=C1[C@@H]([NH2+]Cc2[nH]nc3ccccc32)CCN1c1ccccc1 ZINC000598037898 359072678 /nfs/dbraw/zinc/07/26/78/359072678.db2.gz MXGLYRWCKYVNHG-INIZCTEOSA-N 1 0 306.369 2.458 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000089091557 192724316 /nfs/dbraw/zinc/72/43/16/192724316.db2.gz ROICLXXUFORNFA-DENSBJQYSA-N 1 0 314.838 2.358 10 0 DEAERO CC[C@@H]1CN(Cc2c(Br)c(C)nn2C)CC[N@@H+]1C ZINC000089232782 192748081 /nfs/dbraw/zinc/74/80/81/192748081.db2.gz UTUFZVRLBBRBKD-LLVKDONJSA-N 1 0 315.259 2.017 10 0 DEAERO CCn1nc(C)c(Br)c1COC[C@@H]1CCC[NH2+]1 ZINC000089280129 192757566 /nfs/dbraw/zinc/75/75/66/192757566.db2.gz ZEVWLJBKMGAXJM-JTQLQIEISA-N 1 0 302.216 2.243 10 0 DEAERO CC[C@@H]1C[NH2+]CCN1Cc1c(Br)c(C)nn1CC ZINC000089279613 192758081 /nfs/dbraw/zinc/75/80/81/192758081.db2.gz ZFWVLAXOCBIVMA-LLVKDONJSA-N 1 0 315.259 2.158 10 0 DEAERO Cc1csc([C@H](C)CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000186809638 200013908 /nfs/dbraw/zinc/01/39/08/200013908.db2.gz IRJLPUOFCHHMEB-TZMCWYRMSA-N 1 0 320.462 2.211 10 0 DEAERO COc1ccc(F)cc1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000187075343 200057546 /nfs/dbraw/zinc/05/75/46/200057546.db2.gz CKLLMRXYAPURIF-UHFFFAOYSA-N 1 0 323.412 2.365 10 0 DEAERO COc1ccc(F)cc1CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000187090689 200060524 /nfs/dbraw/zinc/06/05/24/200060524.db2.gz YAFJVHSJWKCENE-NSHDSACASA-N 1 0 309.385 2.116 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccc(OC)c(O)c1 ZINC000187624475 200136278 /nfs/dbraw/zinc/13/62/78/200136278.db2.gz BNFRDJQMYYPSDB-TUPIDYKKSA-N 1 0 318.417 2.357 10 0 DEAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1coc(C[NH3+])c1 ZINC000187884317 200171373 /nfs/dbraw/zinc/17/13/73/200171373.db2.gz HPPMNVJRDAMREJ-MRXNPFEDSA-N 1 0 302.374 2.242 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000261848505 283514780 /nfs/dbraw/zinc/51/47/80/283514780.db2.gz VOEXSVQUKBQQKI-GHMZBOCLSA-N 1 0 305.353 2.024 10 0 DEAERO COCCC[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189029955 200338262 /nfs/dbraw/zinc/33/82/62/200338262.db2.gz YHUXMPNMBUAOAP-CZUORRHYSA-N 1 0 308.397 2.331 10 0 DEAERO C[C@H](CC[NH2+]Cc1c(Cl)cnn1C)NC(=O)OC(C)(C)C ZINC000189156143 200357283 /nfs/dbraw/zinc/35/72/83/200357283.db2.gz KKUVYLDGASVONK-SNVBAGLBSA-N 1 0 316.833 2.466 10 0 DEAERO C[NH+](C)CCOC1CCN(Cc2nc3ccccc3o2)CC1 ZINC000601761797 360137597 /nfs/dbraw/zinc/13/75/97/360137597.db2.gz MPLKDYSRVWKIMC-UHFFFAOYSA-N 1 0 303.406 2.370 10 0 DEAERO O[C@H]([C@H]1CCCC[N@@H+]1CCO[C@H]1CCCCO1)C(F)(F)F ZINC000444665572 238223916 /nfs/dbraw/zinc/22/39/16/238223916.db2.gz QNYGJVCBTVKQEO-FRRDWIJNSA-N 1 0 311.344 2.307 10 0 DEAERO O=C(Nc1ccc2nccn2c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000606583966 361023472 /nfs/dbraw/zinc/02/34/72/361023472.db2.gz VPXSRGDHLNECBH-HNNXBMFYSA-N 1 0 313.405 2.426 10 0 DEAERO Cc1cc(C)n(-c2cncc(N3CCC(C[NH+](C)C)CC3)n2)n1 ZINC000608080077 361166460 /nfs/dbraw/zinc/16/64/60/361166460.db2.gz OMCSIUUHMWXFLJ-UHFFFAOYSA-N 1 0 314.437 2.057 10 0 DEAERO CCOC(=O)c1csc(CC[NH2+][C@H]2CCC[C@H](OC)C2)n1 ZINC000619430704 363791494 /nfs/dbraw/zinc/79/14/94/363791494.db2.gz RISKAPQBFYSVTL-RYUDHWBXSA-N 1 0 312.435 2.410 10 0 DEAERO [NH3+][C@H]1Cc2ccccc2[C@H]1Nc1ncncc1Br ZINC000090783171 192932772 /nfs/dbraw/zinc/93/27/72/192932772.db2.gz PKOHNIUGHCYTQT-NWDGAFQWSA-N 1 0 305.179 2.276 10 0 DEAERO COc1ccc2c(c1)CCN2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000195393012 201386353 /nfs/dbraw/zinc/38/63/53/201386353.db2.gz VCMAFUMFZIETCN-UHFFFAOYSA-N 1 0 300.402 2.459 10 0 DEAERO NC(=O)C1CCC([NH2+]C[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090903816 192942865 /nfs/dbraw/zinc/94/28/65/192942865.db2.gz IXDSGVAMWAATSL-DBRPNBKGSA-N 1 0 308.809 2.277 10 0 DEAERO c1cc(C[NH2+][C@H]2CCn3ccnc3C2)n(CCc2ccccc2)n1 ZINC000621345280 364361122 /nfs/dbraw/zinc/36/11/22/364361122.db2.gz HWSNGPZLVCVVJI-KRWDZBQOSA-N 1 0 321.428 2.427 10 0 DEAERO [NH3+]CCc1nc(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cs1 ZINC000090948798 192961851 /nfs/dbraw/zinc/96/18/51/192961851.db2.gz XVVMUWJFNTXXHJ-RKDXNWHRSA-N 1 0 321.368 2.495 10 0 DEAERO CCn1nc(C)c(C[NH2+]C[C@@H]2CC[C@H](c3nc(C)no3)O2)c1C ZINC000623164853 364904574 /nfs/dbraw/zinc/90/45/74/364904574.db2.gz YYLHKLXADKEORZ-DZGCQCFKSA-N 1 0 319.409 2.221 10 0 DEAERO CS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)C2CCCCC2)c1 ZINC000449119027 240083867 /nfs/dbraw/zinc/08/38/67/240083867.db2.gz VVDKYEMOWPDZHZ-INIZCTEOSA-N 1 0 311.447 2.121 10 0 DEAERO CO[C@@H]1CC[C@@H]([NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449275462 240289384 /nfs/dbraw/zinc/28/93/84/240289384.db2.gz MPADVBWJVDGJHW-NWANDNLSSA-N 1 0 311.447 2.351 10 0 DEAERO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc3ccccc3o2)cn1 ZINC000275353166 212286660 /nfs/dbraw/zinc/28/66/60/212286660.db2.gz AEGBSSGUKYZJHC-QAPCUYQASA-N 1 0 324.384 2.276 10 0 DEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000623767575 365168271 /nfs/dbraw/zinc/16/82/71/365168271.db2.gz YDJGIFXPAXLURF-RYUDHWBXSA-N 1 0 320.614 2.342 10 0 DEAERO Cc1ccc(C[NH2+]C[C@@H]2COCCN2C)c(Br)c1 ZINC000623711320 365139471 /nfs/dbraw/zinc/13/94/71/365139471.db2.gz APKXOBGVXPZIJQ-CYBMUJFWSA-N 1 0 313.239 2.178 10 0 DEAERO Cc1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)c(Br)c1 ZINC000091298888 193034040 /nfs/dbraw/zinc/03/40/40/193034040.db2.gz NPOSDTINEXEYOE-SNVBAGLBSA-N 1 0 313.195 2.075 10 0 DEAERO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2ccnn2C)c(OC)c1 ZINC000449466317 240562358 /nfs/dbraw/zinc/56/23/58/240562358.db2.gz FQLFCWKEUUAZOL-LBPRGKRZSA-N 1 0 319.405 2.167 10 0 DEAERO CC(C)[NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1C(C)C ZINC000091337241 193043179 /nfs/dbraw/zinc/04/31/79/193043179.db2.gz OWDSPCAVLPICMT-OAHLLOKOSA-N 1 0 313.467 2.038 10 0 DEAERO CSC(C)(C)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091350003 193044765 /nfs/dbraw/zinc/04/47/65/193044765.db2.gz NBPCXXBVZCTGQN-SNVBAGLBSA-N 1 0 302.465 2.126 10 0 DEAERO COc1ccc(Cl)cc1CN1CC2(CC1=O)CC[NH2+]CC2 ZINC000091408497 193052417 /nfs/dbraw/zinc/05/24/17/193052417.db2.gz QEHYJZONTDWLEY-UHFFFAOYSA-N 1 0 308.809 2.451 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)[C@](C)(CC)N1CCCCC1 ZINC000091610301 193079835 /nfs/dbraw/zinc/07/98/35/193079835.db2.gz RGJKIMGTOPDSPL-CVEARBPZSA-N 1 0 318.527 2.444 10 0 DEAERO c1nnc2ccc(N3CC[C@H]([NH2+][C@H]4CCCC45CCC5)C3)nn12 ZINC000624117810 365295051 /nfs/dbraw/zinc/29/50/51/365295051.db2.gz WPKBCBFNVDDNSX-KBPBESRZSA-N 1 0 312.421 2.015 10 0 DEAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000091479813 193061897 /nfs/dbraw/zinc/06/18/97/193061897.db2.gz YURNFOKEQXUDOS-DGCLKSJQSA-N 1 0 302.296 2.316 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000091496297 193063954 /nfs/dbraw/zinc/06/39/54/193063954.db2.gz IBVNUDYFLQZSBS-NTSWFWBYSA-N 1 0 308.250 2.252 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cc(Br)ccc1F ZINC000624236567 365345859 /nfs/dbraw/zinc/34/58/59/365345859.db2.gz FREHELGYWAWVKX-CKLFPEKLSA-N 1 0 318.186 2.389 10 0 DEAERO CCCc1c(Cl)ncnc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091677239 193089497 /nfs/dbraw/zinc/08/94/97/193089497.db2.gz PQEIFQVIYZGXGP-NEPJUHHUSA-N 1 0 310.829 2.358 10 0 DEAERO C[NH2+][C@H](Cc1c(Cl)cccc1Cl)[C@H]1CN(C)CCO1 ZINC000091718125 193096967 /nfs/dbraw/zinc/09/69/67/193096967.db2.gz XSPRCMQXQHEUGF-ZIAGYGMSSA-N 1 0 303.233 2.455 10 0 DEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)C1(N(C)C)CCCC1 ZINC000091638249 193082707 /nfs/dbraw/zinc/08/27/07/193082707.db2.gz QXVYUPJIIIYLAZ-HNNXBMFYSA-N 1 0 318.527 2.444 10 0 DEAERO CN1CCO[C@H](COc2c(Cl)cc(Cl)cc2CC[NH3+])C1 ZINC000092060603 193149058 /nfs/dbraw/zinc/14/90/58/193149058.db2.gz JWNUAGGNSODCBB-LBPRGKRZSA-N 1 0 319.232 2.204 10 0 DEAERO [NH3+]CC[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C(F)(F)F ZINC000449732505 241005480 /nfs/dbraw/zinc/00/54/80/241005480.db2.gz ZTYFQWWRHNEBQZ-QRTLGDNMSA-N 1 0 322.277 2.464 10 0 DEAERO CCOc1ccccc1CN1CC[N@H+](CC[C@H](C)O)[C@H](C)C1 ZINC000450907596 242384767 /nfs/dbraw/zinc/38/47/67/242384767.db2.gz KXLDGVNTXNUGIN-CVEARBPZSA-N 1 0 306.450 2.362 10 0 DEAERO Brc1ccc(-n2cc(C[C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000630585465 367740460 /nfs/dbraw/zinc/74/04/60/367740460.db2.gz OLXPMSVQEUCMGL-JTQLQIEISA-N 1 0 307.195 2.182 10 0 DEAERO COC[C@H]([NH3+])Cc1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000630590825 367743751 /nfs/dbraw/zinc/74/37/51/367743751.db2.gz OSQCRFATQXQOOX-LLVKDONJSA-N 1 0 315.204 2.149 10 0 DEAERO COCC[NH2+]Cc1c(N2C[C@H](C)[C@@H](C)C2)nc2sccn12 ZINC000092086542 193155336 /nfs/dbraw/zinc/15/53/36/193155336.db2.gz HMDGVSVCJFYIRQ-RYUDHWBXSA-N 1 0 308.451 2.224 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2cccc(C[NH2+]C3CC3)c2)C[C@@H]1C ZINC000092113890 193161806 /nfs/dbraw/zinc/16/18/06/193161806.db2.gz CXZPZQACGQSANJ-STQMWFEESA-N 1 0 308.447 2.215 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])cc2F)CC1 ZINC000092116235 193164062 /nfs/dbraw/zinc/16/40/62/193164062.db2.gz NXYLWVFALKKOFK-LBPRGKRZSA-N 1 0 314.426 2.485 10 0 DEAERO CC1(C)C[C@H]1NS(=O)(=O)c1ccc(C[NH2+]C2CC2)cc1F ZINC000092116027 193164542 /nfs/dbraw/zinc/16/45/42/193164542.db2.gz QBVDZAULKQUSFZ-CQSZACIVSA-N 1 0 312.410 2.155 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Br)c(C)nn1C)C(C)(C)OC ZINC000092139734 193167852 /nfs/dbraw/zinc/16/78/52/193167852.db2.gz RLIPEPVHACIXJY-NSHDSACASA-N 1 0 318.259 2.437 10 0 DEAERO c1c(C[NH2+]C2CC(c3ccccc3)C2)nnn1C[C@@H]1CCOC1 ZINC000631065705 367998130 /nfs/dbraw/zinc/99/81/30/367998130.db2.gz OIQHPCJLZVKBQB-OOHWJJMZSA-N 1 0 312.417 2.350 10 0 DEAERO CC1(C)CC[C@H](C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)O1 ZINC000631078291 368006558 /nfs/dbraw/zinc/00/65/58/368006558.db2.gz SOIDATWFVFZTES-MJGOQNOKSA-N 1 0 318.461 2.171 10 0 DEAERO c1cncc([C@@H]2CCC[C@@H]([NH2+]C3CN(c4ccncn4)C3)C2)c1 ZINC000631257515 368107145 /nfs/dbraw/zinc/10/71/45/368107145.db2.gz ZMTLYJIGGQVECR-GDBMZVCRSA-N 1 0 309.417 2.376 10 0 DEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cc(Cl)ccc2-n2cccn2)C1 ZINC000092204129 193173066 /nfs/dbraw/zinc/17/30/66/193173066.db2.gz BALYUQUOHFUOMB-JQWIXIFHSA-N 1 0 302.765 2.368 10 0 DEAERO [NH3+][C@H]1C=C[C@H](C(=O)NCc2cc(F)ccc2Br)C1 ZINC000092205794 193173191 /nfs/dbraw/zinc/17/31/91/193173191.db2.gz VQIPGQFHZNOFHX-KWQFWETISA-N 1 0 313.170 2.108 10 0 DEAERO CCc1nn(C)cc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000092247650 193179845 /nfs/dbraw/zinc/17/98/45/193179845.db2.gz WSVPSCSDJKHVIV-MRXNPFEDSA-N 1 0 300.406 2.015 10 0 DEAERO COc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc2c1OCCO2 ZINC000092253538 193180490 /nfs/dbraw/zinc/18/04/90/193180490.db2.gz GIMCZWVWSHMFLJ-AWEZNQCLSA-N 1 0 320.433 2.240 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631968379 368472012 /nfs/dbraw/zinc/47/20/12/368472012.db2.gz USPKIGWTHZUFHN-IUCAKERBSA-N 1 0 323.245 2.209 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631994388 368485171 /nfs/dbraw/zinc/48/51/71/368485171.db2.gz KWCUAXFYGXMNHO-YPMHNXCESA-N 1 0 314.476 2.073 10 0 DEAERO CC(C)(O)CN1CC[NH+](C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092270275 193183809 /nfs/dbraw/zinc/18/38/09/193183809.db2.gz FYSVEGHZBGWUCJ-HNNXBMFYSA-N 1 0 306.475 2.092 10 0 DEAERO O=C(CCC[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1)NC1CC1 ZINC000092996372 193191634 /nfs/dbraw/zinc/19/16/34/193191634.db2.gz XJJVQRWIYGWWLH-CQSZACIVSA-N 1 0 308.809 2.292 10 0 DEAERO CCC[NH2+]Cc1sc(N2CCS(=O)CC2)nc1C(C)C ZINC000092999926 193192808 /nfs/dbraw/zinc/19/28/08/193192808.db2.gz RVWABMQXHLELEI-UHFFFAOYSA-N 1 0 315.508 2.335 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC(Oc2ccccc2)CC1 ZINC000261619177 203082406 /nfs/dbraw/zinc/08/24/06/203082406.db2.gz AOVNCWCCCIZRSM-RHSMWYFYSA-N 1 0 302.418 2.431 10 0 DEAERO O=C(c1coc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261732598 203105768 /nfs/dbraw/zinc/10/57/68/203105768.db2.gz HUJHENCWCWASCH-AOOOYVTPSA-N 1 0 313.195 2.114 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(OC3CCC3)c(F)c2)O1 ZINC000261749431 203108333 /nfs/dbraw/zinc/10/83/33/203108333.db2.gz LCHCGPQBUQYXRV-DOMZBBRYSA-N 1 0 308.353 2.202 10 0 DEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261788161 203116051 /nfs/dbraw/zinc/11/60/51/203116051.db2.gz KBFFIZBABMRMSG-NSHDSACASA-N 1 0 323.824 2.418 10 0 DEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(N)cc2)o1 ZINC000261862112 203137410 /nfs/dbraw/zinc/13/74/10/203137410.db2.gz GBHBHFBEWYARBO-UHFFFAOYSA-N 1 0 301.390 2.374 10 0 DEAERO CCC(CC)C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000093143065 193207981 /nfs/dbraw/zinc/20/79/81/193207981.db2.gz ZXGVXXRGBVQIIX-UHFFFAOYSA-N 1 0 309.498 2.299 10 0 DEAERO C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000262511018 203314692 /nfs/dbraw/zinc/31/46/92/203314692.db2.gz BIQIBELNHRLDNI-IAQYHMDHSA-N 1 0 303.793 2.482 10 0 DEAERO [NH3+][C@H]1CC[C@H](OCC(=O)Nc2ccc(Br)cc2)C1 ZINC000093216636 193217238 /nfs/dbraw/zinc/21/72/38/193217238.db2.gz SYAWUTIDDLLLEC-JQWIXIFHSA-N 1 0 313.195 2.284 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000093211721 193217437 /nfs/dbraw/zinc/21/74/37/193217437.db2.gz IUJCEMNELXCKPX-MWLCHTKSSA-N 1 0 304.362 2.365 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)Nc2cc(COC)ncn2)CC1 ZINC000093312242 193227434 /nfs/dbraw/zinc/22/74/34/193227434.db2.gz SBXWKTKXNKKHAI-UHFFFAOYSA-N 1 0 321.425 2.009 10 0 DEAERO CC[NH2+]CCCN(C)S(=O)(=O)N(CC(C)C)C(CC)CC ZINC000093326649 193232874 /nfs/dbraw/zinc/23/28/74/193232874.db2.gz YBYSZKNZWVOCFD-UHFFFAOYSA-N 1 0 321.531 2.309 10 0 DEAERO [NH2+]=C1NC[C@@H](c2ccc(Br)cc2)N1C[C@@H]1CCCO1 ZINC000093378255 193240376 /nfs/dbraw/zinc/24/03/76/193240376.db2.gz YNBFELDBRTVAFA-STQMWFEESA-N 1 0 324.222 2.300 10 0 DEAERO Nc1c(C(=O)NCCC[NH2+]C2CC2)sc2cccc(F)c12 ZINC000093412055 193245568 /nfs/dbraw/zinc/24/55/68/193245568.db2.gz ZOGAQOYYKMTIKD-UHFFFAOYSA-N 1 0 307.394 2.495 10 0 DEAERO C[C@H](C[C@@H]1CCC[NH2+]1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000093463792 193255231 /nfs/dbraw/zinc/25/52/31/193255231.db2.gz PMCLXNSCLREHEJ-MNOVXSKESA-N 1 0 306.801 2.258 10 0 DEAERO NC1=[NH+]CC2(CCC(C(F)(F)F)CC2)N1C[C@H]1CCCO1 ZINC000093378151 193241289 /nfs/dbraw/zinc/24/12/89/193241289.db2.gz LDIJIDWHWJMNCG-QWKFWESOSA-N 1 0 305.344 2.287 10 0 DEAERO NC1=[NH+]C[C@@H]([C@@H]2CCCOC2)N1c1ccc(Br)cc1 ZINC000093386522 193242048 /nfs/dbraw/zinc/24/20/48/193242048.db2.gz YXCBQNYAODDTNE-MFKMUULPSA-N 1 0 324.222 2.379 10 0 DEAERO Cn1cc([C@@H]2CNC(=[NH2+])N2c2cccc(Br)c2)cn1 ZINC000093387702 193242544 /nfs/dbraw/zinc/24/25/44/193242544.db2.gz ICTQERATHSXBJQ-LBPRGKRZSA-N 1 0 320.194 2.268 10 0 DEAERO C[C@@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000093485530 193258218 /nfs/dbraw/zinc/25/82/18/193258218.db2.gz VLHZVWHJLNRXQB-WFASDCNBSA-N 1 0 311.451 2.391 10 0 DEAERO C[C@@H](C[C@@H]1CCCC[NH2+]1)NCc1ccc(S(C)(=O)=O)cc1 ZINC000093486722 193258433 /nfs/dbraw/zinc/25/84/33/193258433.db2.gz GSWZTTCSWHZHSP-ZFWWWQNUSA-N 1 0 310.463 2.100 10 0 DEAERO CC(C)CSCCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262697382 203386071 /nfs/dbraw/zinc/38/60/71/203386071.db2.gz BMBADZSWDPSLLV-CQSZACIVSA-N 1 0 324.494 2.317 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)c(OC)c1 ZINC000093523159 193262798 /nfs/dbraw/zinc/26/27/98/193262798.db2.gz DFBSGODJSFZOES-LLVKDONJSA-N 1 0 315.435 2.178 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1OC ZINC000093520946 193263351 /nfs/dbraw/zinc/26/33/51/193263351.db2.gz JUHIQZHOWJKMAD-LLVKDONJSA-N 1 0 315.435 2.178 10 0 DEAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCn1nc(C)c(Cl)c1C ZINC000093615451 193275136 /nfs/dbraw/zinc/27/51/36/193275136.db2.gz FWIJZOFCMCJXCZ-DOMZBBRYSA-N 1 0 312.845 2.177 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCn1ncc(Cl)c1C ZINC000093616150 193275665 /nfs/dbraw/zinc/27/56/65/193275665.db2.gz ZVSNYIYYOQPTAX-SWLSCSKDSA-N 1 0 312.845 2.259 10 0 DEAERO CC[NH2+][C@]1(CO)CCC[C@@H]1CCn1cc(C(F)(F)F)cn1 ZINC000093618553 193275668 /nfs/dbraw/zinc/27/56/68/193275668.db2.gz SVJCPJOCFRRDSA-YPMHNXCESA-N 1 0 305.344 2.433 10 0 DEAERO CC[NH2+][C@H](Cc1c(Br)c(C)nn1C)[C@@H](C)OC ZINC000093691095 193290361 /nfs/dbraw/zinc/29/03/61/193290361.db2.gz HMQKZKSERYAECV-NXEZZACHSA-N 1 0 304.232 2.047 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000093696619 193291915 /nfs/dbraw/zinc/29/19/15/193291915.db2.gz XYYOYEPISARAOK-QWHCGFSZSA-N 1 0 314.426 2.148 10 0 DEAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093697049 193291973 /nfs/dbraw/zinc/29/19/73/193291973.db2.gz NYDBQIDJFMVKAD-ILXRZTDVSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCCC1 ZINC000093696814 193292076 /nfs/dbraw/zinc/29/20/76/193292076.db2.gz IJWQXRLCFHUPMJ-KGLIPLIRSA-N 1 0 302.484 2.216 10 0 DEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696614 193292274 /nfs/dbraw/zinc/29/22/74/193292274.db2.gz SAJOXAPIMVFICZ-GJZGRUSLSA-N 1 0 310.463 2.317 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC000093696809 193292284 /nfs/dbraw/zinc/29/22/84/193292284.db2.gz CAAGMSDATDVYOK-OAHLLOKOSA-N 1 0 300.468 2.138 10 0 DEAERO C[NH2+][C@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093697932 193292870 /nfs/dbraw/zinc/29/28/70/193292870.db2.gz WTSVHAZHESITTM-GDBMZVCRSA-N 1 0 310.463 2.399 10 0 DEAERO Cc1ccc([C@H]([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)cc1F ZINC000093699867 193294141 /nfs/dbraw/zinc/29/41/41/193294141.db2.gz LKGXIOZGPZKXIY-IUODEOHRSA-N 1 0 314.426 2.196 10 0 DEAERO C[NH2+]CC1(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCCCC1 ZINC000093701487 193294583 /nfs/dbraw/zinc/29/45/83/193294583.db2.gz AOMKBGCDVJYWGR-AWEZNQCLSA-N 1 0 302.484 2.218 10 0 DEAERO CC[C@@H](C[NH2+]C(C)(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701442 193294872 /nfs/dbraw/zinc/29/48/72/193294872.db2.gz USZXSPTTZJZFRF-ZIAGYGMSSA-N 1 0 304.500 2.462 10 0 DEAERO CC1(C)CC(C[C@@H]2CCCN(S(C)(=O)=O)C2)=C[C@H]([NH3+])C1 ZINC000093702382 193295649 /nfs/dbraw/zinc/29/56/49/193295649.db2.gz SWEBMDKHVWPKNS-JSGCOSHPSA-N 1 0 300.468 2.122 10 0 DEAERO CC[NH2+][C@H](C)CC(C)(C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702358 193295786 /nfs/dbraw/zinc/29/57/86/193295786.db2.gz GBFVIXYEYSZUKY-ZIAGYGMSSA-N 1 0 304.500 2.462 10 0 DEAERO COC(=O)C(C)(C)COc1ccc(Br)cc1C[NH3+] ZINC000093714176 193297148 /nfs/dbraw/zinc/29/71/48/193297148.db2.gz LPLYDHGAOSVNOW-UHFFFAOYSA-N 1 0 316.195 2.486 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2ccc(F)cc2F)C1 ZINC000093776426 193304588 /nfs/dbraw/zinc/30/45/88/193304588.db2.gz ASQNNXLFFUMSMY-QMTHXVAHSA-N 1 0 300.374 2.443 10 0 DEAERO COC(=O)[C@]1([NH3+])CCC[C@@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093777622 193305035 /nfs/dbraw/zinc/30/50/35/193305035.db2.gz YVOCPADVFKGUKU-BMIGLBTASA-N 1 0 305.403 2.468 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2nc3ccccc3o2)C1 ZINC000093777940 193305382 /nfs/dbraw/zinc/30/53/82/193305382.db2.gz MAYSBZNLYIKTBH-ZUZCIYMTSA-N 1 0 305.403 2.306 10 0 DEAERO Cc1ccnc(S[C@H]2CCC[C@@]([NH2+]C(C)C)(C(N)=O)C2)n1 ZINC000093779127 193305646 /nfs/dbraw/zinc/30/56/46/193305646.db2.gz VPPJGJHZCBGISB-WFASDCNBSA-N 1 0 308.451 2.042 10 0 DEAERO C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2cccnc2)CCN1C ZINC000093644137 193282599 /nfs/dbraw/zinc/28/25/99/193282599.db2.gz VSMMUDPISLVJDK-RHSMWYFYSA-N 1 0 313.449 2.397 10 0 DEAERO CC(C)c1nnsc1C(=O)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023533 193339543 /nfs/dbraw/zinc/33/95/43/193339543.db2.gz NXKMYSGJRRJTKS-UHFFFAOYSA-N 1 0 308.451 2.266 10 0 DEAERO C[C@H]1[NH2+]CCCN(Cc2cc(F)cc(Br)c2)C1=O ZINC000094002049 193337820 /nfs/dbraw/zinc/33/78/20/193337820.db2.gz FSONXLZQXJBWIK-SECBINFHSA-N 1 0 315.186 2.299 10 0 DEAERO CN(CC(C)(C)C[NH3+])c1ccccc1S(=O)(=O)C(F)F ZINC000093874738 193321873 /nfs/dbraw/zinc/32/18/73/193321873.db2.gz YGWHKMAPMFNABE-UHFFFAOYSA-N 1 0 306.378 2.104 10 0 DEAERO CCC[NH2+][C@H]1[C@@H](CN2CCS(=O)CC2)CCCC1(C)C ZINC000094287357 193355883 /nfs/dbraw/zinc/35/58/83/193355883.db2.gz IXJUUXRPGRRPGH-CABCVRRESA-N 1 0 300.512 2.245 10 0 DEAERO CCC[NH2+][C@@H](CN(C)CCS(C)(=O)=O)c1cccc(C)c1 ZINC000094298297 193357675 /nfs/dbraw/zinc/35/76/75/193357675.db2.gz NTEFKSZCUZDRKS-INIZCTEOSA-N 1 0 312.479 2.012 10 0 DEAERO CCC[NH2+][C@@H](C)c1ccc(N2C(=O)C(C)(C)S2(=O)=O)cc1 ZINC000094344199 193362812 /nfs/dbraw/zinc/36/28/12/193362812.db2.gz YWVCJPWYFXBJAH-NSHDSACASA-N 1 0 310.419 2.202 10 0 DEAERO COCCOCCOc1c(F)cc(C[NH2+]C2CC2)cc1F ZINC000094347674 193363517 /nfs/dbraw/zinc/36/35/17/193363517.db2.gz GJPVPAAHUAPWNG-UHFFFAOYSA-N 1 0 301.333 2.259 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc(F)cc(OC)c1 ZINC000094038467 193339859 /nfs/dbraw/zinc/33/98/59/193339859.db2.gz BFMUOLIPPQWFLL-GFCCVEGCSA-N 1 0 311.401 2.364 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3ncc(Cl)cc3Cl)no2)C1 ZINC000094199132 193348401 /nfs/dbraw/zinc/34/84/01/193348401.db2.gz ZISZCJGBXPBJKI-IONNQARKSA-N 1 0 315.160 2.488 10 0 DEAERO C[NH2+]Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cn1 ZINC000094209009 193349493 /nfs/dbraw/zinc/34/94/93/193349493.db2.gz CNSOISAAEQCDAM-UHFFFAOYSA-N 1 0 305.765 2.472 10 0 DEAERO CCC[NH2+][C@H](C)c1cc(F)ccc1O[C@H]1CCS(=O)(=O)C1 ZINC000094620466 193385709 /nfs/dbraw/zinc/38/57/09/193385709.db2.gz MTPOFSXQGAWRTM-YPMHNXCESA-N 1 0 315.410 2.452 10 0 DEAERO CC[NH2+][C@H](C[C@@H]1CCCO1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641712 193389071 /nfs/dbraw/zinc/38/90/71/193389071.db2.gz YVAUMGRUWCJSQZ-CBBWQLFWSA-N 1 0 303.468 2.137 10 0 DEAERO CCC(CC)([C@H]([NH2+]C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC000094642922 193389094 /nfs/dbraw/zinc/38/90/94/193389094.db2.gz DINDZUUQTUKIFU-QLFBSQMISA-N 1 0 318.527 2.298 10 0 DEAERO CC[NH2+][C@H](CC)c1cnn([C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000094644040 193389649 /nfs/dbraw/zinc/38/96/49/193389649.db2.gz NHNRWTXEJJJBDP-SOUVJXGZSA-N 1 0 313.467 2.472 10 0 DEAERO COc1cc(C[NH3+])cc(Br)c1O[C@H](C)[C@H](C)O ZINC000094653055 193391073 /nfs/dbraw/zinc/39/10/73/193391073.db2.gz UGQMLMPJVJXOCU-JGVFFNPUSA-N 1 0 304.184 2.065 10 0 DEAERO O=C(CCC[NH2+][C@H]1CCOC2(CCSCC2)C1)NC1CC1 ZINC000094375071 193366866 /nfs/dbraw/zinc/36/68/66/193366866.db2.gz FVPQINFTXWYSGQ-AWEZNQCLSA-N 1 0 312.479 2.080 10 0 DEAERO NC(=S)C1CC[NH+]([C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094376128 193367307 /nfs/dbraw/zinc/36/73/07/193367307.db2.gz BBECGWKROMFNGG-TZMCWYRMSA-N 1 0 300.493 2.039 10 0 DEAERO [NH3+]CCc1ccc(O[C@@H]2CCOC3(CCSCC3)C2)cn1 ZINC000094408780 193368126 /nfs/dbraw/zinc/36/81/26/193368126.db2.gz JGSRHKAHHQLPTC-CQSZACIVSA-N 1 0 308.447 2.406 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(Br)cc1N ZINC000094457773 193371192 /nfs/dbraw/zinc/37/11/92/193371192.db2.gz RBAYNMWIULSBHD-GXSJLCMTSA-N 1 0 311.227 2.099 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C(N)=S)ccc1F ZINC000094460627 193372167 /nfs/dbraw/zinc/37/21/67/193372167.db2.gz NQGDLBJVPJQBEZ-BXUZGUMPSA-N 1 0 307.438 2.128 10 0 DEAERO CCc1nn(CC)c(C[C@H]([NH2+]C)[C@@H]2CSCCO2)c1Cl ZINC000094503373 193374239 /nfs/dbraw/zinc/37/42/39/193374239.db2.gz JTZLOCKVTYYKIR-AAEUAGOBSA-N 1 0 317.886 2.381 10 0 DEAERO C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CN2CCN1CC2 ZINC000094509335 193375519 /nfs/dbraw/zinc/37/55/19/193375519.db2.gz NGHYRYZZCSDAQA-KGLIPLIRSA-N 1 0 300.233 2.254 10 0 DEAERO CCC[NH2+][C@@H]1CCCc2nc([C@H]3CN4CCN3CC4)sc21 ZINC000094511050 193376235 /nfs/dbraw/zinc/37/62/35/193376235.db2.gz NIBYVDAYDLLQQN-TZMCWYRMSA-N 1 0 306.479 2.192 10 0 DEAERO CC[NH2+]CCc1cn(CC(=O)Nc2ccc(Cl)cc2)cn1 ZINC000094529928 193377205 /nfs/dbraw/zinc/37/72/05/193377205.db2.gz ROOMQAPXYREUPB-UHFFFAOYSA-N 1 0 306.797 2.327 10 0 DEAERO C[C@@H](C[NH3+])S(=O)(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000094544502 193377965 /nfs/dbraw/zinc/37/79/65/193377965.db2.gz WNWLJSJMWLYYSR-WQNPGBKJSA-N 1 0 300.468 2.002 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(F)cc2Br)C1 ZINC000094548657 193378420 /nfs/dbraw/zinc/37/84/20/193378420.db2.gz OHGDDRFJTXCQIJ-WCBMZHEXSA-N 1 0 315.186 2.398 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)cc2F)O1 ZINC000094563222 193380079 /nfs/dbraw/zinc/38/00/79/193380079.db2.gz CBQFTIUNCKRMFF-GZMMTYOYSA-N 1 0 317.158 2.033 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2cc(Br)ccc2F)O1 ZINC000094565290 193380715 /nfs/dbraw/zinc/38/07/15/193380715.db2.gz HCQSXFONTQQUQA-KWQFWETISA-N 1 0 317.158 2.033 10 0 DEAERO C[C@H](CC[NH+](C)C)Nc1nc2c(Br)cccn2n1 ZINC000094604644 193383533 /nfs/dbraw/zinc/38/35/33/193383533.db2.gz KBSLLUOMYUZSGN-SECBINFHSA-N 1 0 312.215 2.244 10 0 DEAERO Clc1ccc2nc(N3CC[NH2+]CC34CCCCC4)nn2c1 ZINC000094608686 193384355 /nfs/dbraw/zinc/38/43/55/193384355.db2.gz LBKZDSHCLSTKQV-UHFFFAOYSA-N 1 0 305.813 2.495 10 0 DEAERO C[C@@H](CCCO)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095016425 193412608 /nfs/dbraw/zinc/41/26/08/193412608.db2.gz JHABCOWMLGPEJP-KBPBESRZSA-N 1 0 300.443 2.384 10 0 DEAERO Cc1cc(C)cc(CS(=O)(=O)Cc2cccnc2C[NH3+])c1 ZINC000094721224 193393994 /nfs/dbraw/zinc/39/39/94/193393994.db2.gz ZNCRPUCVDBLJIY-UHFFFAOYSA-N 1 0 304.415 2.272 10 0 DEAERO C[NH2+]Cc1ccc(Cn2nc(C)c(Br)c2C)nc1 ZINC000094759011 193395278 /nfs/dbraw/zinc/39/52/78/193395278.db2.gz KCUCZCBYONHOMP-UHFFFAOYSA-N 1 0 309.211 2.425 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCC(C)(C)C2)cn1C(C)C ZINC000094814838 193399855 /nfs/dbraw/zinc/39/98/55/193399855.db2.gz YFFTUMOOQUSEHD-UHFFFAOYSA-N 1 0 313.467 2.209 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC(C)(C)C2)s1 ZINC000094814820 193399993 /nfs/dbraw/zinc/39/99/93/193399993.db2.gz GNMNMZJRXITNHI-UHFFFAOYSA-N 1 0 302.465 2.278 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])C[C@@H](C)COC)c1Br ZINC000097240285 193696807 /nfs/dbraw/zinc/69/68/07/193696807.db2.gz YZBKXKYSSWJYGI-NXEZZACHSA-N 1 0 318.259 2.287 10 0 DEAERO CCOCC[C@@H]([NH3+])Cc1c(Br)c(CC)nn1C ZINC000097240567 193696877 /nfs/dbraw/zinc/69/68/77/193696877.db2.gz UBAORNHTBDPZQU-SECBINFHSA-N 1 0 304.232 2.041 10 0 DEAERO Cc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C[NH+](C)C)cc1Cl ZINC000097253521 193699412 /nfs/dbraw/zinc/69/94/12/193699412.db2.gz BQIBLDNUTODTRS-CHWSQXEVSA-N 1 0 311.813 2.177 10 0 DEAERO CC[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC2(CCC2)C1 ZINC000097306798 193706208 /nfs/dbraw/zinc/70/62/08/193706208.db2.gz AITKUISLLWWNBK-RRFJBIMHSA-N 1 0 315.479 2.139 10 0 DEAERO CC(C)[N@H+](CC(N)=S)Cc1ccc(Br)cn1 ZINC000160603314 197425939 /nfs/dbraw/zinc/42/59/39/197425939.db2.gz YQNYJVRWHJHQQR-UHFFFAOYSA-N 1 0 302.241 2.341 10 0 DEAERO CC[NH2+][C@H](c1c(Br)cnn1CC)[C@@H]1CCCO1 ZINC000160287514 197398625 /nfs/dbraw/zinc/39/86/25/197398625.db2.gz UKTVTGIJESALFM-QWRGUYRKSA-N 1 0 302.216 2.495 10 0 DEAERO COc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C[NH3+] ZINC000020189993 182195432 /nfs/dbraw/zinc/19/54/32/182195432.db2.gz VCVMXXWPQCRRKD-UHFFFAOYSA-N 1 0 312.435 2.155 10 0 DEAERO [NH3+]CCc1nn2c(nnc2-c2ccccc2Br)s1 ZINC000020391875 182214321 /nfs/dbraw/zinc/21/43/21/182214321.db2.gz YJUARJBDKJULFK-UHFFFAOYSA-N 1 0 324.207 2.117 10 0 DEAERO CCN1CCN([C@@H](C[NH3+])c2cc(Br)cs2)CC1 ZINC000020475239 182221677 /nfs/dbraw/zinc/22/16/77/182221677.db2.gz REUNDJSNOGXMBO-NSHDSACASA-N 1 0 318.284 2.148 10 0 DEAERO CCOc1c(Cl)cc(CNCC[NH2+]C[C@H](C)O)cc1Cl ZINC000020477762 182222383 /nfs/dbraw/zinc/22/23/83/182222383.db2.gz VOQKIIVSQYFYEZ-JTQLQIEISA-N 1 0 321.248 2.452 10 0 DEAERO C[NH+](C)C1(Cn2c(N)nc3cc(Br)cnc32)CCC1 ZINC000097934573 193767691 /nfs/dbraw/zinc/76/76/91/193767691.db2.gz JZCMGHUMIVCRDS-UHFFFAOYSA-N 1 0 324.226 2.260 10 0 DEAERO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCc2ccc(O)cc2C1 ZINC000262036415 284526535 /nfs/dbraw/zinc/52/65/35/284526535.db2.gz ZQAJKXLYQTYYDK-COXVUDFISA-N 1 0 300.402 2.198 10 0 DEAERO C[C@H](C[NH2+]Cc1ccc(F)cc1Br)[S@@](C)=O ZINC000159823564 197367606 /nfs/dbraw/zinc/36/76/06/197367606.db2.gz LUSBFEHJYSILPI-BCTVWOGZSA-N 1 0 308.216 2.445 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 ZINC000457526184 247857108 /nfs/dbraw/zinc/85/71/08/247857108.db2.gz SEFFQTVPRFUHMG-XHSDSOJGSA-N 1 0 306.450 2.182 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NC2CCC(OC)CC2)CC1 ZINC000458473245 248329233 /nfs/dbraw/zinc/32/92/33/248329233.db2.gz ZYFKTIJDAGBNSD-UHFFFAOYSA-N 1 0 311.470 2.365 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000037643935 182915294 /nfs/dbraw/zinc/91/52/94/182915294.db2.gz COCLQXZUJFERFW-SECBINFHSA-N 1 0 302.205 2.460 10 0 DEAERO NC(=O)C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)C1CCOCC1 ZINC000459485594 248635578 /nfs/dbraw/zinc/63/55/78/248635578.db2.gz OSQNXXJTJCBIET-QGZVFWFLSA-N 1 0 302.418 2.324 10 0 DEAERO OC[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(Br)ccc1F ZINC000038114781 182992425 /nfs/dbraw/zinc/99/24/25/182992425.db2.gz LMKUASBJBDTATM-ZWNOBZJWSA-N 1 0 318.186 2.390 10 0 DEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000038048770 182981166 /nfs/dbraw/zinc/98/11/66/182981166.db2.gz GHUZGMXWAHGEMY-WDSKDSINSA-N 1 0 308.250 2.382 10 0 DEAERO O=C1C(C[NH2+]CCc2ccccc2)=CC2=CC=C[C@H]3CCN1[C@@H]23 ZINC000039287462 183016244 /nfs/dbraw/zinc/01/62/44/183016244.db2.gz KLIANTXYBOVEAE-QFBILLFUSA-N 1 0 306.409 2.472 10 0 DEAERO C[C@H]1C[NH+](CCC(=O)Nc2cc(Cl)ccc2N)C[C@H](C)O1 ZINC000040162700 183042095 /nfs/dbraw/zinc/04/20/95/183042095.db2.gz IHHBDNKOSCXMKO-QWRGUYRKSA-N 1 0 311.813 2.360 10 0 DEAERO CC[C@H](C)[NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000040419214 183064537 /nfs/dbraw/zinc/06/45/37/183064537.db2.gz XVQDLYCNUUHVQE-NSHDSACASA-N 1 0 300.349 2.335 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000040632699 183111497 /nfs/dbraw/zinc/11/14/97/183111497.db2.gz CLTZUFLCIYQZQE-KOLCDFICSA-N 1 0 302.346 2.317 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000040635958 183112274 /nfs/dbraw/zinc/11/22/74/183112274.db2.gz GGXHFOOXQJZAFN-STQMWFEESA-N 1 0 317.216 2.329 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(Cc2cccc(Cl)c2)C(C)C)C1 ZINC000040635390 183112434 /nfs/dbraw/zinc/11/24/34/183112434.db2.gz ZAWDODFUHPMLHP-HUUCEWRRSA-N 1 0 310.825 2.454 10 0 DEAERO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000040599489 183108001 /nfs/dbraw/zinc/10/80/01/183108001.db2.gz OEYKEMWNPWWMKJ-LLVKDONJSA-N 1 0 313.804 2.349 10 0 DEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000040858860 183142978 /nfs/dbraw/zinc/14/29/78/183142978.db2.gz DUSJSOHXMZELNL-PELKAZGASA-N 1 0 310.419 2.335 10 0 DEAERO O=S(=O)(c1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1)C(F)F ZINC000040746412 183128760 /nfs/dbraw/zinc/12/87/60/183128760.db2.gz ACGGQBWTWUFCSN-FOSCPWQOSA-N 1 0 316.373 2.378 10 0 DEAERO C[C@H]([NH3+])c1noc(-c2ccccc2I)n1 ZINC000041052261 183159645 /nfs/dbraw/zinc/15/96/45/183159645.db2.gz NLNFKNMBRJKOKD-LURJTMIESA-N 1 0 315.114 2.361 10 0 DEAERO Cc1ccc(F)c(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000041664515 183213329 /nfs/dbraw/zinc/21/33/29/183213329.db2.gz YOCUXKHSLNYXKC-ZDUSSCGKSA-N 1 0 321.396 2.063 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000042166459 183238321 /nfs/dbraw/zinc/23/83/21/183238321.db2.gz FPBFMRYMJKRGLP-QJPTWQEYSA-N 1 0 308.344 2.135 10 0 DEAERO CC(C)[NH2+]C[C@H](O)CN(C)Cc1cccc(Br)c1 ZINC000042440488 183270392 /nfs/dbraw/zinc/27/03/92/183270392.db2.gz GYEZEQOZEGHAQX-AWEZNQCLSA-N 1 0 315.255 2.240 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Br)o1)N1CCCSCC1 ZINC000042443730 183271041 /nfs/dbraw/zinc/27/10/41/183271041.db2.gz GDKNNQZJQZVGSE-VIFPVBQESA-N 1 0 305.241 2.481 10 0 DEAERO CC[N@H+](CCCOc1ccc(C(N)=S)cc1)[C@@H](C)COC ZINC000042765862 183306021 /nfs/dbraw/zinc/30/60/21/183306021.db2.gz AEMZPOMGRJIRMV-ZDUSSCGKSA-N 1 0 310.463 2.447 10 0 DEAERO Nc1[nH+]c2cc(Br)ccc2n1CCn1ccnc1 ZINC000042542077 183282648 /nfs/dbraw/zinc/28/26/48/183282648.db2.gz CTZDAJJQTNGSMH-UHFFFAOYSA-N 1 0 306.167 2.278 10 0 DEAERO COCCN([C@H](C)COC)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000042606662 183290593 /nfs/dbraw/zinc/29/05/93/183290593.db2.gz OJSSPTQCOJXULU-DOMZBBRYSA-N 1 0 300.830 2.323 10 0 DEAERO C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000042610564 183291301 /nfs/dbraw/zinc/29/13/01/183291301.db2.gz SYQQVOGESHFACX-DZGCQCFKSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000042611504 183291319 /nfs/dbraw/zinc/29/13/19/183291319.db2.gz XQIZHNFVADAVNR-CMPLNLGQSA-N 1 0 302.465 2.406 10 0 DEAERO CCN(C[C@H]([NH3+])c1ccc2c(c1)OCCO2)CC(F)(F)F ZINC000042747879 183304772 /nfs/dbraw/zinc/30/47/72/183304772.db2.gz XXVFNPPHICGOPF-NSHDSACASA-N 1 0 304.312 2.342 10 0 DEAERO COCCN(CCOC)[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042945356 183319726 /nfs/dbraw/zinc/31/97/26/183319726.db2.gz LXOYZUWAVDKHAU-SWLSCSKDSA-N 1 0 300.830 2.323 10 0 DEAERO CS(=O)(=O)c1cccc(O[C@@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000042942555 183320000 /nfs/dbraw/zinc/32/00/00/183320000.db2.gz DDYNZLZCBBALMH-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO CNC(=O)C1CCN([C@@H](c2ccc(Cl)cc2)[C@H](C)[NH3+])CC1 ZINC000042945279 183320098 /nfs/dbraw/zinc/32/00/98/183320098.db2.gz CKWNAKBJRRSIEG-XHDPSFHLSA-N 1 0 309.841 2.186 10 0 DEAERO COCCN(C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954372 183321865 /nfs/dbraw/zinc/32/18/65/183321865.db2.gz YKLXJYZCEPAQLP-ZWNOBZJWSA-N 1 0 301.228 2.416 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCC[C@@H]1CO ZINC000042954174 183322409 /nfs/dbraw/zinc/32/24/09/183322409.db2.gz TWZNSLWZAOXJAI-LERXQTSPSA-N 1 0 313.239 2.294 10 0 DEAERO CC(C)N(CCO)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043021708 183329942 /nfs/dbraw/zinc/32/99/42/183329942.db2.gz JHJGRGGLWGXVBV-CYBMUJFWSA-N 1 0 301.228 2.152 10 0 DEAERO C[C@H]1c2ccsc2CCN1S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042782422 183309231 /nfs/dbraw/zinc/30/92/31/183309231.db2.gz AEOMIIWHOFXPLG-RYUDHWBXSA-N 1 0 314.476 2.139 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCC(C(N)=O)CC1 ZINC000043051061 183333022 /nfs/dbraw/zinc/33/30/22/183333022.db2.gz NEJRQMQAZHCYCB-CABCVRRESA-N 1 0 309.841 2.316 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)Nc1nc2c(cc1C(N)=S)CCC2 ZINC000043408845 183359699 /nfs/dbraw/zinc/35/96/99/183359699.db2.gz GBFHTDRVWZVNLJ-NSHDSACASA-N 1 0 304.463 2.101 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N1CCC(C(=O)NC)CC1 ZINC000043240660 183345763 /nfs/dbraw/zinc/34/57/63/183345763.db2.gz PWZUSQANMRRUOY-UKRRQHHQSA-N 1 0 309.479 2.293 10 0 DEAERO Cn1cc([C@@H](C[NH3+])Oc2c(F)c(F)c(F)c(F)c2F)cn1 ZINC000043236401 183346131 /nfs/dbraw/zinc/34/61/31/183346131.db2.gz KUZRAMZOBQLWKP-ZCFIWIBFSA-N 1 0 307.222 2.194 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N(C)CC(=O)N1CCCC1 ZINC000043242126 183346675 /nfs/dbraw/zinc/34/66/75/183346675.db2.gz HLWJVIBSENESCM-CZUORRHYSA-N 1 0 309.479 2.389 10 0 DEAERO C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC[NH2+]CC1 ZINC000043402844 183359286 /nfs/dbraw/zinc/35/92/86/183359286.db2.gz MNGJBIZSXWNIHZ-SNVBAGLBSA-N 1 0 307.444 2.209 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1nnnn1C)c1ccc(Cl)s1 ZINC000043256866 183348357 /nfs/dbraw/zinc/34/83/57/183348357.db2.gz JXTDCZKWMWGCJH-HZGVNTEJSA-N 1 0 303.844 2.496 10 0 DEAERO CCCN(CC(=O)NC)[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043253700 183348430 /nfs/dbraw/zinc/34/84/30/183348430.db2.gz BAEMEFXRILWVNB-RNCFNFMXSA-N 1 0 303.859 2.248 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCC(O)CC1 ZINC000043284552 183350601 /nfs/dbraw/zinc/35/06/01/183350601.db2.gz MLEHQINHMFWOSH-QPUJVOFHSA-N 1 0 319.268 2.356 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CCN(c2nccs2)CC1 ZINC000043334566 183355669 /nfs/dbraw/zinc/35/56/69/183355669.db2.gz ORLQLYRPQCKOFA-OCCSQVGLSA-N 1 0 306.435 2.337 10 0 DEAERO C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)N1CC[NH2+]CC1 ZINC000043402911 183358858 /nfs/dbraw/zinc/35/88/58/183358858.db2.gz ZSIAQHQMWXLEAF-VIFPVBQESA-N 1 0 319.352 2.013 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N1CCN(C)CC1 ZINC000043090415 183335747 /nfs/dbraw/zinc/33/57/47/183335747.db2.gz JYNFPTPLJWRGFL-SMDDNHRTSA-N 1 0 312.255 2.085 10 0 DEAERO CCOc1cc(C[NH3+])cc(Br)c1OCCCO ZINC000043444034 183364196 /nfs/dbraw/zinc/36/41/96/183364196.db2.gz WYIRAFFSEIRVSS-UHFFFAOYSA-N 1 0 304.184 2.068 10 0 DEAERO CC(C)OC(=O)COc1ccc(Br)cc1C[NH3+] ZINC000043445927 183364522 /nfs/dbraw/zinc/36/45/22/183364522.db2.gz KBSRMIWJVUFBQY-UHFFFAOYSA-N 1 0 302.168 2.238 10 0 DEAERO O=S1(=O)CC[C@H](Oc2ccc(C[NH2+]C3CC3)cc2Cl)C1 ZINC000043488254 183366457 /nfs/dbraw/zinc/36/64/57/183366457.db2.gz HZIOUAPIKUJYOB-LBPRGKRZSA-N 1 0 315.822 2.158 10 0 DEAERO COC(=O)[C@H](C)Oc1c(Cl)cc(C[C@H](C)[NH3+])cc1OC ZINC000043631071 183376163 /nfs/dbraw/zinc/37/61/63/183376163.db2.gz OCUNDPGIPWYGIS-IUCAKERBSA-N 1 0 301.770 2.179 10 0 DEAERO CC(C)[C@@H](C[NH+](C)C)Nc1nc2c(cc1C(N)=S)CCC2 ZINC000043408875 183359969 /nfs/dbraw/zinc/35/99/69/183359969.db2.gz VUVVUMAPLIOFME-CQSZACIVSA-N 1 0 306.479 2.203 10 0 DEAERO CC(C)C[N@H+](CCC(N)=S)[C@H](C)C(=O)NC1CCCCC1 ZINC000043418486 183361182 /nfs/dbraw/zinc/36/11/82/183361182.db2.gz RJXKDZGOBDRSAC-CYBMUJFWSA-N 1 0 313.511 2.458 10 0 DEAERO CCN(c1ccccc1)S(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000044594287 183425452 /nfs/dbraw/zinc/42/54/52/183425452.db2.gz MRXIYICBFCGVQY-UHFFFAOYSA-N 1 0 304.415 2.403 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000044594632 183426302 /nfs/dbraw/zinc/42/63/02/183426302.db2.gz WECQWOHKTRLBJO-CJNGLKHVSA-N 1 0 310.463 2.387 10 0 DEAERO CCC[NH2+][C@](C)(CCCC[NH+]1CCC(OC)CC1)C(=O)[O-] ZINC000045388962 183503305 /nfs/dbraw/zinc/50/33/05/183503305.db2.gz NINQLXAAMNCCSP-MRXNPFEDSA-N 1 0 300.443 2.110 10 0 DEAERO COc1ccc(CC[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000284620350 218104693 /nfs/dbraw/zinc/10/46/93/218104693.db2.gz AXSXFFMYLOIFTQ-RCCFBDPRSA-N 1 0 305.418 2.100 10 0 DEAERO COc1ccc(CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000105071139 194069667 /nfs/dbraw/zinc/06/96/67/194069667.db2.gz QIEKXOYEBRYAFZ-MRXNPFEDSA-N 1 0 317.433 2.117 10 0 DEAERO Cc1ccc(OCCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000105076506 194070101 /nfs/dbraw/zinc/07/01/01/194070101.db2.gz PQWFKQBDAIOHHE-MRXNPFEDSA-N 1 0 317.433 2.254 10 0 DEAERO CC(C)(C)OCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820607 194135428 /nfs/dbraw/zinc/13/54/28/194135428.db2.gz DKTPAJYONMZEOZ-QGZVFWFLSA-N 1 0 306.450 2.153 10 0 DEAERO CCOCCN1CC[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1CC ZINC000105838166 194144455 /nfs/dbraw/zinc/14/44/55/194144455.db2.gz UABCTPMNXYBCIV-RTBURBONSA-N 1 0 320.477 2.023 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2C)c1 ZINC000105881730 194156020 /nfs/dbraw/zinc/15/60/20/194156020.db2.gz MSNZBOVUXWDNNZ-INIZCTEOSA-N 1 0 314.433 2.137 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)NCCC2=CCCCC2)c1 ZINC000105881346 194156027 /nfs/dbraw/zinc/15/60/27/194156027.db2.gz VJZWDOSZBLLPDA-HNNXBMFYSA-N 1 0 304.438 2.176 10 0 DEAERO CCCCOC(=O)CC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000105909476 194166367 /nfs/dbraw/zinc/16/63/67/194166367.db2.gz QRACTNUOOHZWJD-UHFFFAOYSA-N 1 0 320.437 2.031 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271890327 209300204 /nfs/dbraw/zinc/30/02/04/209300204.db2.gz VSOVHDVVOHWQOT-SFHVURJKSA-N 1 0 319.424 2.031 10 0 DEAERO CC(C)COCCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106427580 194211323 /nfs/dbraw/zinc/21/13/23/194211323.db2.gz HHMBGEXGNPJSDB-KRWDZBQOSA-N 1 0 306.450 2.338 10 0 DEAERO CCC(CC)CN(CC)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000048970925 183700012 /nfs/dbraw/zinc/70/00/12/183700012.db2.gz SQQRKHHVFBLTSR-UHFFFAOYSA-N 1 0 304.500 2.464 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1N[C@@H](C)CC[NH+](C)C ZINC000049558579 183741998 /nfs/dbraw/zinc/74/19/98/183741998.db2.gz KONVDBAETQYBJY-ZDUSSCGKSA-N 1 0 313.467 2.125 10 0 DEAERO O=S(=O)(Nc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000049641090 183750720 /nfs/dbraw/zinc/75/07/20/183750720.db2.gz XNNYBJBCRQBFDJ-UHFFFAOYSA-N 1 0 309.218 2.487 10 0 DEAERO O=S(=O)(CC[C@H]1CCCC[NH2+]1)NCc1ccccc1Cl ZINC000049640924 183750734 /nfs/dbraw/zinc/75/07/34/183750734.db2.gz RRYUSUVULMKTBE-CYBMUJFWSA-N 1 0 316.854 2.292 10 0 DEAERO CN(Cc1ccccc1Cl)S(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000049644583 183751109 /nfs/dbraw/zinc/75/11/09/183751109.db2.gz LJIFLNJHVBYULU-LBPRGKRZSA-N 1 0 316.854 2.101 10 0 DEAERO C[C@@H](NS(=O)(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000049646016 183751454 /nfs/dbraw/zinc/75/14/54/183751454.db2.gz BICWYOSCWALIOF-NEPJUHHUSA-N 1 0 316.854 2.320 10 0 DEAERO CCn1c(C[NH3+])nnc1SCc1cn2cc(Cl)ccc2n1 ZINC000109404852 194261053 /nfs/dbraw/zinc/26/10/53/194261053.db2.gz IMSGOZUGRDZDTC-UHFFFAOYSA-N 1 0 322.825 2.350 10 0 DEAERO CCc1ccc(CN2CC[NH+]([C@H](CC)C(N)=S)CC2)s1 ZINC000109469660 194266449 /nfs/dbraw/zinc/26/64/49/194266449.db2.gz CBEUYMDFOWVTSO-CQSZACIVSA-N 1 0 311.520 2.493 10 0 DEAERO C[C@H](C(N)=S)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000109468070 194266561 /nfs/dbraw/zinc/26/65/61/194266561.db2.gz VFKFVKSAMFNMPX-SNVBAGLBSA-N 1 0 315.845 2.271 10 0 DEAERO CCCC[C@H](CC)C(=O)N1CC[NH+]([C@@H](CC)C(N)=S)CC1 ZINC000109461767 194265378 /nfs/dbraw/zinc/26/53/78/194265378.db2.gz GNGWXBRBYBFARS-KBPBESRZSA-N 1 0 313.511 2.412 10 0 DEAERO O=S(=O)(c1ccccc1O[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000051872652 183839397 /nfs/dbraw/zinc/83/93/97/183839397.db2.gz JGKRJBKOUQOFOW-SECBINFHSA-N 1 0 309.309 2.111 10 0 DEAERO CCCNS(=O)(=O)c1ccccc1OCCC[NH2+]C(C)C ZINC000051872146 183839799 /nfs/dbraw/zinc/83/97/99/183839799.db2.gz GBJFSAVJGVWADH-UHFFFAOYSA-N 1 0 314.451 2.142 10 0 DEAERO O=c1ccccn1CC[NH2+]Cc1ccccc1Br ZINC000110056476 194307233 /nfs/dbraw/zinc/30/72/33/194307233.db2.gz IQUOCCHJXHGHGT-UHFFFAOYSA-N 1 0 307.191 2.401 10 0 DEAERO O=C(N[C@@H]1CCC[NH2+]C1)c1cccc(F)c1Br ZINC000155989733 197078935 /nfs/dbraw/zinc/07/89/35/197078935.db2.gz AZYNYBGWXNPSEF-MRVPVSSYSA-N 1 0 301.159 2.070 10 0 DEAERO CC[C@H]1CN(Cc2ncc(C)c(OC)c2C)CC[N@@H+]1CCOC ZINC000110031117 194304327 /nfs/dbraw/zinc/30/43/27/194304327.db2.gz LXUPZUXUHJENRS-INIZCTEOSA-N 1 0 321.465 2.250 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000052808239 183874266 /nfs/dbraw/zinc/87/42/66/183874266.db2.gz SVBHUBOEOUFSHP-CQSZACIVSA-N 1 0 308.403 2.234 10 0 DEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1cc(OC(F)F)c(F)cc1N ZINC000110641500 194345052 /nfs/dbraw/zinc/34/50/52/194345052.db2.gz GMIKHPJKJWRDMN-SECBINFHSA-N 1 0 303.328 2.397 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCNC(=O)C1(C)C ZINC000110653442 194346753 /nfs/dbraw/zinc/34/67/53/194346753.db2.gz VOGLDRVZSSVPFY-BXKDBHETSA-N 1 0 315.870 2.390 10 0 DEAERO C[C@@H]1CCCN(S(=O)(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000110815665 194361067 /nfs/dbraw/zinc/36/10/67/194361067.db2.gz QHVINSCDCJZORR-CYBMUJFWSA-N 1 0 308.447 2.143 10 0 DEAERO CS(=O)(=O)c1cccc(Oc2ccc(F)cc2C(N)=[NH2+])c1 ZINC000111035330 194386565 /nfs/dbraw/zinc/38/65/65/194386565.db2.gz GNZDUTGWPOUORC-UHFFFAOYSA-N 1 0 308.334 2.306 10 0 DEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000111117425 194391793 /nfs/dbraw/zinc/39/17/93/194391793.db2.gz YULPJYNLWVJQSF-JTQLQIEISA-N 1 0 305.216 2.400 10 0 DEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000111117428 194391991 /nfs/dbraw/zinc/39/19/91/194391991.db2.gz YULPJYNLWVJQSF-SNVBAGLBSA-N 1 0 305.216 2.400 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1N)N(C)CCC[NH+](C)C ZINC000111130707 194393668 /nfs/dbraw/zinc/39/36/68/194393668.db2.gz TTYLUJVHZHPFSC-NSHDSACASA-N 1 0 312.845 2.133 10 0 DEAERO C[C@](O)(Cc1cccc(Br)c1)C[C@@H]1COCC[NH2+]1 ZINC000156888289 197147306 /nfs/dbraw/zinc/14/73/06/197147306.db2.gz OHBMVMQNZXJTAL-KGLIPLIRSA-N 1 0 314.223 2.121 10 0 DEAERO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000111845122 194416702 /nfs/dbraw/zinc/41/67/02/194416702.db2.gz KQCOJNFXBGFROP-OAHLLOKOSA-N 1 0 303.406 2.292 10 0 DEAERO C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000057777165 184052487 /nfs/dbraw/zinc/05/24/87/184052487.db2.gz CIPCDMIVPLZEFE-NVXWUHKLSA-N 1 0 323.481 2.461 10 0 DEAERO CC(C)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000059207740 184136013 /nfs/dbraw/zinc/13/60/13/184136013.db2.gz WQAIXBUCXJWZNX-UHFFFAOYSA-N 1 0 306.225 2.221 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cc1 ZINC000061118207 184162728 /nfs/dbraw/zinc/16/27/28/184162728.db2.gz ANJOMZAWFRLGPL-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000061273971 184167917 /nfs/dbraw/zinc/16/79/17/184167917.db2.gz SUNVNPCJSJCAME-SECBINFHSA-N 1 0 310.419 2.350 10 0 DEAERO CCN(CC)c1nc(Cl)nc(NCC(C)(C)C[NH+](C)C)n1 ZINC000061536360 184172186 /nfs/dbraw/zinc/17/21/86/184172186.db2.gz RCSWVEFIFBRADQ-UHFFFAOYSA-N 1 0 314.865 2.371 10 0 DEAERO CCN(CC)c1nc(Cl)nc(NCC2CC[NH+](C)CC2)n1 ZINC000061540787 184173308 /nfs/dbraw/zinc/17/33/08/184173308.db2.gz IJGXWIZEVUXRHS-UHFFFAOYSA-N 1 0 312.849 2.125 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1F ZINC000061594686 184176064 /nfs/dbraw/zinc/17/60/64/184176064.db2.gz WGLULPMJWCZIAH-UFBFGSQYSA-N 1 0 308.382 2.226 10 0 DEAERO CCn1c(S[C@@H](C[NH3+])c2ccc(Cl)s2)n[nH]c1=O ZINC000061594240 184176084 /nfs/dbraw/zinc/17/60/84/184176084.db2.gz SZSODKWLXOTIPV-ZETCQYMHSA-N 1 0 304.828 2.098 10 0 DEAERO CCn1c(S[C@H](c2ccc(Cl)cc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594193 184176088 /nfs/dbraw/zinc/17/60/88/184176088.db2.gz DSUUUGMFNQHTFV-KCJUWKMLSA-N 1 0 312.826 2.425 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1cccc(C)c1 ZINC000061594349 184176124 /nfs/dbraw/zinc/17/61/24/184176124.db2.gz YBUSJPSJVPYBFE-OLZOCXBDSA-N 1 0 306.435 2.470 10 0 DEAERO CC(C)n1c(S[C@@H](c2cccc(F)c2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595257 184176397 /nfs/dbraw/zinc/17/63/97/184176397.db2.gz NCWJBJMEZNPIEB-BXKDBHETSA-N 1 0 310.398 2.472 10 0 DEAERO NC(=[NH2+])C[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1 ZINC000061595711 184176649 /nfs/dbraw/zinc/17/66/49/184176649.db2.gz AFQDNNYQEQODGN-NSHDSACASA-N 1 0 303.391 2.066 10 0 DEAERO O=c1cc(C[N@H+]2CC[C@H](O)C2)c2ccc(Br)cc2o1 ZINC000061708718 184184440 /nfs/dbraw/zinc/18/44/40/184184440.db2.gz VLZDGRYWWRCRMR-NSHDSACASA-N 1 0 324.174 2.122 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccccc1)N1CCN(CC(F)(F)F)CC1 ZINC000061940785 184197232 /nfs/dbraw/zinc/19/72/32/184197232.db2.gz XNAJJYRPILWVIJ-JSGCOSHPSA-N 1 0 301.356 2.255 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccccc1)N1CCN(CC(F)(F)F)CC1 ZINC000061940787 184197526 /nfs/dbraw/zinc/19/75/26/184197526.db2.gz XNAJJYRPILWVIJ-GXTWGEPZSA-N 1 0 301.356 2.255 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccsc1)N1CCN(CC(F)(F)F)CC1 ZINC000061940836 184197555 /nfs/dbraw/zinc/19/75/55/184197555.db2.gz BMFHYVDHFSVEOC-ZYHUDNBSSA-N 1 0 307.385 2.316 10 0 DEAERO CC[NH2+]CCS(=O)(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000062027790 184201718 /nfs/dbraw/zinc/20/17/18/184201718.db2.gz BROLHOPSEYONPX-NSHDSACASA-N 1 0 304.843 2.272 10 0 DEAERO C[NH+](C)CCCNC(=O)[C@@H](Cc1ccccn1)c1ccccc1 ZINC000062066108 184204063 /nfs/dbraw/zinc/20/40/63/184204063.db2.gz KDJWGMFYFZNVBQ-SFHVURJKSA-N 1 0 311.429 2.476 10 0 DEAERO CN(C)c1ccc(Br)cc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062114007 184206632 /nfs/dbraw/zinc/20/66/32/184206632.db2.gz HPSAZQPEXMMGPI-SECBINFHSA-N 1 0 312.211 2.063 10 0 DEAERO COCCC[NH+]1[C@H](C)CN(C(=O)c2ccccc2F)C[C@H]1C ZINC000062180845 184213465 /nfs/dbraw/zinc/21/34/65/184213465.db2.gz IWVIMHNVHDGWSY-ZIAGYGMSSA-N 1 0 308.397 2.397 10 0 DEAERO CC1(C)Cc2nc(N3CCn4ccnc4C3)sc2[C@H]([NH3+])C1 ZINC000062327776 184231009 /nfs/dbraw/zinc/23/10/09/184231009.db2.gz VIEYQWOIZGHOMD-SNVBAGLBSA-N 1 0 303.435 2.332 10 0 DEAERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)C2 ZINC000062350736 184231472 /nfs/dbraw/zinc/23/14/72/184231472.db2.gz WVXDGMWMLBDHMV-XPKDYRNWSA-N 1 0 314.495 2.215 10 0 DEAERO CN(C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC000062364311 184233236 /nfs/dbraw/zinc/23/32/36/184233236.db2.gz VTDUQEYHCLXJBL-MRXNPFEDSA-N 1 0 303.450 2.280 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)Cc2ccco2)CC1 ZINC000062771622 184253247 /nfs/dbraw/zinc/25/32/47/184253247.db2.gz MSRILLDJOFFUGG-CYBMUJFWSA-N 1 0 314.451 2.004 10 0 DEAERO CC(C)(C)c1ncc(C[NH2+][C@@]2(C)CCS(=O)(=O)C2)s1 ZINC000062838868 184255714 /nfs/dbraw/zinc/25/57/14/184255714.db2.gz CEOAGALFXOYLFV-ZDUSSCGKSA-N 1 0 302.465 2.107 10 0 DEAERO CCC1(C(=O)Nc2cc(C(N)=O)ccc2Cl)CC[NH2+]CC1 ZINC000062848521 184256436 /nfs/dbraw/zinc/25/64/36/184256436.db2.gz XHYOGFBPIUUKEA-UHFFFAOYSA-N 1 0 309.797 2.157 10 0 DEAERO CC[C@]1(C(=O)Nc2cc(C(=O)OC)ccc2Cl)CC[NH2+]C1 ZINC000062892815 184258531 /nfs/dbraw/zinc/25/85/31/184258531.db2.gz ARXJTZUXVTUKNS-HNNXBMFYSA-N 1 0 310.781 2.455 10 0 DEAERO CC[C@]1(C(=O)Nc2sc(C)c(C)c2C(=O)OC)CC[NH2+]C1 ZINC000062900441 184258948 /nfs/dbraw/zinc/25/89/48/184258948.db2.gz RTSOQUUJAHWIDV-HNNXBMFYSA-N 1 0 310.419 2.480 10 0 DEAERO c1ccc(-c2nnc(CC[NH+]3CCC4(CC3)OCCO4)o2)cc1 ZINC000062653205 184246679 /nfs/dbraw/zinc/24/66/79/184246679.db2.gz WWJYRVYOENDWBB-UHFFFAOYSA-N 1 0 315.373 2.118 10 0 DEAERO C[C@H]1[NH2+]CCCN(Cc2sccc2Br)C1=O ZINC000063215327 184278918 /nfs/dbraw/zinc/27/89/18/184278918.db2.gz VWHARNVPQAYYAM-MRVPVSSYSA-N 1 0 303.225 2.221 10 0 DEAERO Clc1ccccc1NCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062974933 184263340 /nfs/dbraw/zinc/26/33/40/184263340.db2.gz LGRNOKMVPDARGR-AWEZNQCLSA-N 1 0 309.841 2.158 10 0 DEAERO CNc1ncc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000062984907 184264927 /nfs/dbraw/zinc/26/49/27/184264927.db2.gz DGDUTMWVWQBHHJ-GFCCVEGCSA-N 1 0 308.813 2.087 10 0 DEAERO [NH3+]Cc1c(N2CCOc3ccccc3C2)nc2sccn12 ZINC000063013007 184266573 /nfs/dbraw/zinc/26/65/73/184266573.db2.gz MBSXPDMJZIOWMM-UHFFFAOYSA-N 1 0 300.387 2.254 10 0 DEAERO CCCOc1ccc(C[NH2+]C)c(OCCCS(C)(=O)=O)c1 ZINC000063014390 184266635 /nfs/dbraw/zinc/26/66/35/184266635.db2.gz IKOARBSWJIEMTQ-UHFFFAOYSA-N 1 0 315.435 2.008 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)Cc1ccc(OC)cc1 ZINC000063017081 184267110 /nfs/dbraw/zinc/26/71/10/184267110.db2.gz GPJVLONHQHHQFY-OAHLLOKOSA-N 1 0 313.463 2.431 10 0 DEAERO C[NH2+][C@H](CCCS(C)(=O)=O)Cc1ccc(F)cc1Cl ZINC000063017395 184267150 /nfs/dbraw/zinc/26/71/50/184267150.db2.gz PLXMNSQXLHHXON-GFCCVEGCSA-N 1 0 307.818 2.434 10 0 DEAERO CC[NH2+]C[C@H](CCCS(C)(=O)=O)Cc1ccccc1OC ZINC000063018335 184267329 /nfs/dbraw/zinc/26/73/29/184267329.db2.gz DQZKGJDEGUSXIM-CQSZACIVSA-N 1 0 313.463 2.288 10 0 DEAERO COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2[NH3+])cc1Br ZINC000063172225 184276084 /nfs/dbraw/zinc/27/60/84/184276084.db2.gz MURNPQOBZOATAJ-WDEREUQCSA-N 1 0 313.195 2.067 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N[C@@H]1CCC[C@H]1[NH3+] ZINC000063172548 184276089 /nfs/dbraw/zinc/27/60/89/184276089.db2.gz NUKMFNMBXBEERP-GHMZBOCLSA-N 1 0 314.227 2.270 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000063175751 184276827 /nfs/dbraw/zinc/27/68/27/184276827.db2.gz LHSXHCCWXORJNX-TYDXBBDOSA-N 1 0 300.811 2.110 10 0 DEAERO [NH3+][C@H](CS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCOC1 ZINC000158809765 197302581 /nfs/dbraw/zinc/30/25/81/197302581.db2.gz ZPTPRYGDTUQWAO-LDYMZIIASA-N 1 0 324.229 2.131 10 0 DEAERO CCCNS(=O)(=O)c1ccc(F)c(C[NH2+]C(C)(C)C)c1 ZINC000159078198 197325160 /nfs/dbraw/zinc/32/51/60/197325160.db2.gz QIFWHBQKRHVPKG-UHFFFAOYSA-N 1 0 302.415 2.402 10 0 DEAERO CC(=O)N1CCc2c1cccc2NC(=O)N(C)CCC[NH+](C)C ZINC000555313445 291792629 /nfs/dbraw/zinc/79/26/29/291792629.db2.gz YOENYHLVNNCKNI-UHFFFAOYSA-N 1 0 318.421 2.011 10 0 DEAERO CCCC[NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000066213904 184397054 /nfs/dbraw/zinc/39/70/54/184397054.db2.gz XDAQFJHXZSBXLE-UHFFFAOYSA-N 1 0 305.422 2.497 10 0 DEAERO CC[NH2+]CC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 ZINC000066225771 184397729 /nfs/dbraw/zinc/39/77/29/184397729.db2.gz SRWZIUIMLVDWOC-UHFFFAOYSA-N 1 0 303.406 2.251 10 0 DEAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186921315 207368499 /nfs/dbraw/zinc/36/84/99/207368499.db2.gz QEFHASHMAVQBBF-DLBZAZTESA-N 1 0 307.409 2.499 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cnc(C)cn3)[C@@H]2C1 ZINC000555625263 291800783 /nfs/dbraw/zinc/80/07/83/291800783.db2.gz DJHMVUCRBCMMCQ-BVUBDWEXSA-N 1 0 302.422 2.083 10 0 DEAERO CCC[NH2+][C@](C)(C[C@@H](C)n1nc(C)c(Cl)c1C)C(N)=O ZINC000068649844 184496289 /nfs/dbraw/zinc/49/62/89/184496289.db2.gz QOGGKFSCHVIMJE-YMTOWFKASA-N 1 0 300.834 2.348 10 0 DEAERO [NH3+]Cc1ccc(OC[C@H](O)C(F)(F)F)c(Br)c1 ZINC000068877581 184498605 /nfs/dbraw/zinc/49/86/05/184498605.db2.gz JHRVYLNAFFEATK-VIFPVBQESA-N 1 0 314.101 2.210 10 0 DEAERO O=C1[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)CCN1C1CCOCC1 ZINC000358209466 284981462 /nfs/dbraw/zinc/98/14/62/284981462.db2.gz XGFOYFZNYCEOKC-IRXDYDNUSA-N 1 0 318.392 2.183 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1c(F)cccc1F ZINC000538126110 285026136 /nfs/dbraw/zinc/02/61/36/285026136.db2.gz UQMBIWNLRSRFMI-RWMBFGLXSA-N 1 0 315.360 2.172 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1C(C)C ZINC000117495191 285032846 /nfs/dbraw/zinc/03/28/46/285032846.db2.gz BVDSJTAIEHRLMF-JKSUJKDBSA-N 1 0 311.470 2.317 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Cc1coc(-c2ccccc2)n1 ZINC000538316084 285031319 /nfs/dbraw/zinc/03/13/19/285031319.db2.gz TVEICGYVQZYOSR-UHFFFAOYSA-N 1 0 301.390 2.294 10 0 DEAERO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000119664867 195013919 /nfs/dbraw/zinc/01/39/19/195013919.db2.gz LJPTWPVWJAJBFV-UKRRQHHQSA-N 1 0 300.406 2.358 10 0 DEAERO CCOC(=O)C(C)(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000119926062 195064282 /nfs/dbraw/zinc/06/42/82/195064282.db2.gz ZCEGFBRXPHLVFZ-UHFFFAOYSA-N 1 0 324.396 2.093 10 0 DEAERO c1nc(N2CCCC2)ncc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000538790548 285056116 /nfs/dbraw/zinc/05/61/16/285056116.db2.gz ITIOLBNPVZJFOV-HZPDHXFCSA-N 1 0 302.422 2.078 10 0 DEAERO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000120051960 195088147 /nfs/dbraw/zinc/08/81/47/195088147.db2.gz HCXCHDVFIZAHTM-ZDUSSCGKSA-N 1 0 311.385 2.460 10 0 DEAERO CCC[C@@H](C(=O)NCCCc1ccc(OC)c(OC)c1)[NH+](C)C ZINC000120108110 195098332 /nfs/dbraw/zinc/09/83/32/195098332.db2.gz IAJVCBMDYUTQKT-HNNXBMFYSA-N 1 0 322.449 2.483 10 0 DEAERO CC[C@H]1CCC[C@@H]1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000539079336 285069286 /nfs/dbraw/zinc/06/92/86/285069286.db2.gz XXIJYZNEPVYKBH-RDJZCZTQSA-N 1 0 307.482 2.099 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)c1cn[nH]c1)CC2 ZINC000270166249 208229311 /nfs/dbraw/zinc/22/93/11/208229311.db2.gz AVPNBIABWRHQLP-CFVMTHIKSA-N 1 0 305.426 2.127 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cn[nH]c1 ZINC000270371014 208448521 /nfs/dbraw/zinc/44/85/21/208448521.db2.gz TYQMHRSDHPWREZ-ZFWWWQNUSA-N 1 0 305.426 2.131 10 0 DEAERO CC[C@H](C)[C@H]1CN(C2CCS(=O)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000159210347 197336399 /nfs/dbraw/zinc/33/63/99/197336399.db2.gz XJMGVHXGUVYRKW-KCAOEYBGSA-N 1 0 300.512 2.242 10 0 DEAERO [NH3+]C[C@@H](Cc1cc(F)cc(C(F)(F)F)c1)C(=O)NC1CC1 ZINC000159198956 197334488 /nfs/dbraw/zinc/33/44/88/197334488.db2.gz XLAZXRAIXJHQBQ-SECBINFHSA-N 1 0 304.287 2.241 10 0 DEAERO CC(C)[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1CC[S@](C)=O ZINC000159180981 197334021 /nfs/dbraw/zinc/33/40/21/197334021.db2.gz CFFWEHVLXFVFHB-GQIGUUNPSA-N 1 0 300.512 2.244 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC(C)(C)C2)cc(C[NH3+])c1F ZINC000159126093 197329045 /nfs/dbraw/zinc/32/90/45/197329045.db2.gz SHTBITYBEBYOLN-UHFFFAOYSA-N 1 0 300.399 2.013 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)cc(C)c1F ZINC000159124517 197328999 /nfs/dbraw/zinc/32/89/99/197328999.db2.gz BIIANHWHLCTTRU-TXEJJXNPSA-N 1 0 314.426 2.130 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2C[C@@H]2C)cc(C[NH2+]C(C)C)c1F ZINC000159110198 197328079 /nfs/dbraw/zinc/32/80/79/197328079.db2.gz SLRIBBTYAVBLIC-HZMBPMFUSA-N 1 0 314.426 2.319 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)CCC(C)C)cc(C[NH3+])c1F ZINC000159095096 197326515 /nfs/dbraw/zinc/32/65/15/197326515.db2.gz RPVPAOPOYADAFT-UHFFFAOYSA-N 1 0 302.415 2.259 10 0 DEAERO Cc1cc(S(=O)(=O)NC(C2CC2)C2CC2)cc(C[NH3+])c1F ZINC000159097949 197326204 /nfs/dbraw/zinc/32/62/04/197326204.db2.gz RCQSQJFTLAKGDK-UHFFFAOYSA-N 1 0 312.410 2.060 10 0 DEAERO CCC[NH2+][C@H](C[S@](=O)c1cc(F)ccc1F)[C@@H]1CCOC1 ZINC000159078385 197325256 /nfs/dbraw/zinc/32/52/56/197325256.db2.gz YISFXRNPEAMSSZ-HQHPYACNSA-N 1 0 317.401 2.477 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCC(C)CC2)cc(C)c1F ZINC000159047073 197321684 /nfs/dbraw/zinc/32/16/84/197321684.db2.gz UUMZTYDGENUMEO-UHFFFAOYSA-N 1 0 314.426 2.274 10 0 DEAERO COc1cc(CCC(=O)N(C)CCC[NH+](C)C)cc(OC)c1 ZINC000540514635 285119436 /nfs/dbraw/zinc/11/94/36/285119436.db2.gz UAOQLCCUJCJBRW-UHFFFAOYSA-N 1 0 308.422 2.047 10 0 DEAERO CCO[C@@H](C[NH3+])CC[S@@](=O)c1cccc(Br)c1 ZINC000158932925 197312247 /nfs/dbraw/zinc/31/22/47/197312247.db2.gz ZLRFBEWIJGUTNB-DIFFPNOSSA-N 1 0 320.252 2.311 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000158997639 197318320 /nfs/dbraw/zinc/31/83/20/197318320.db2.gz VNNKWKYAAFHLOO-YGRLFVJLSA-N 1 0 318.389 2.021 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@H]1CNS(=O)(=O)CC1CCCCC1 ZINC000158991827 197317187 /nfs/dbraw/zinc/31/71/87/197317187.db2.gz SCFQBSJKNHDJEF-CABCVRRESA-N 1 0 302.484 2.264 10 0 DEAERO CC[C@H]([NH3+])Cc1ccc(Sc2ncnc3[nH]cnc32)nc1 ZINC000158970866 197315166 /nfs/dbraw/zinc/31/51/66/197315166.db2.gz MTURAZCKWATOQH-JTQLQIEISA-N 1 0 300.391 2.179 10 0 DEAERO [NH3+][C@@H](CS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCOC1 ZINC000158809920 197302577 /nfs/dbraw/zinc/30/25/77/197302577.db2.gz ZPTPRYGDTUQWAO-KWQFWETISA-N 1 0 324.229 2.131 10 0 DEAERO C[NH2+]Cc1sc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1C ZINC000158768538 197300258 /nfs/dbraw/zinc/30/02/58/197300258.db2.gz GXCVGXXNZLPMIL-RYUDHWBXSA-N 1 0 314.476 2.197 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)cs1 ZINC000158755919 197298631 /nfs/dbraw/zinc/29/86/31/197298631.db2.gz MUULRSJBCGZXQN-TXEJJXNPSA-N 1 0 314.476 2.278 10 0 DEAERO CC[NH2+][C@H](c1cscn1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000158593883 197287045 /nfs/dbraw/zinc/28/70/45/197287045.db2.gz SRCAAKTVDJEEHX-GVXVVHGQSA-N 1 0 302.465 2.397 10 0 DEAERO Cc1cccc(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158445214 197272840 /nfs/dbraw/zinc/27/28/40/197272840.db2.gz OZPWEQMDPHXRSU-HUUCEWRRSA-N 1 0 317.433 2.183 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@H]([NH3+])C(C)(C)C)CCC2 ZINC000158298484 197260645 /nfs/dbraw/zinc/26/06/45/197260645.db2.gz QMHNJFBQZCVEQS-NSHDSACASA-N 1 0 310.419 2.335 10 0 DEAERO COC(=O)c1c(NC(=O)C[C@@H](C)C[NH3+])sc2c1CCCC2 ZINC000158250687 197257427 /nfs/dbraw/zinc/25/74/27/197257427.db2.gz IZWAZJFFAVSUDB-SECBINFHSA-N 1 0 310.419 2.337 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)OCC)nc1 ZINC000541147532 285156296 /nfs/dbraw/zinc/15/62/96/285156296.db2.gz KQCNUXPOJBHNBG-CQSZACIVSA-N 1 0 305.378 2.071 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(N(C)C)cc1F ZINC000158023400 197237088 /nfs/dbraw/zinc/23/70/88/197237088.db2.gz JHWWBVUGURLQCP-ZDUSSCGKSA-N 1 0 307.413 2.496 10 0 DEAERO C[C@@H]1CN(CCNC(=O)c2ccc(-c3ccccc3)o2)CCO1 ZINC000541425276 285164823 /nfs/dbraw/zinc/16/48/23/285164823.db2.gz NORQOMPHGZWIIQ-CQSZACIVSA-N 1 0 314.385 2.397 10 0 DEAERO CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@H]([N@H+](C)CCOC(C)C)C1 ZINC000157526149 197193916 /nfs/dbraw/zinc/19/39/16/197193916.db2.gz LKLDYGSEKOJHAH-HOCLYGCPSA-N 1 0 300.443 2.109 10 0 DEAERO Cc1cccc2[nH]c(=S)n(C[C@H]3CN4CCC[C@@H]4CO3)c21 ZINC000157282157 197176529 /nfs/dbraw/zinc/17/65/29/197176529.db2.gz 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CCC[C@H](C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC000360692452 133195020 /nfs/dbraw/zinc/19/50/20/133195020.db2.gz PQJZSFRZMVXYIS-UONOGXRCSA-N 1 0 320.437 2.383 10 0 DEAERO C[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)C[C@]2(CCOC2)O1 ZINC000373488934 133392755 /nfs/dbraw/zinc/39/27/55/133392755.db2.gz IVFIFOOYJRUQKE-WBMJQRKESA-N 1 0 303.362 2.050 10 0 DEAERO COC[C@H](C)[NH2+]CCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000053345528 134768797 /nfs/dbraw/zinc/76/87/97/134768797.db2.gz TXNBDAZZBJJYTO-AWEZNQCLSA-N 1 0 311.857 2.087 10 0 DEAERO COCC[NH2+]C[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1 ZINC000053488092 134769592 /nfs/dbraw/zinc/76/95/92/134769592.db2.gz QJFVXHIZWHPOBX-CQSZACIVSA-N 1 0 311.857 2.087 10 0 DEAERO c1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c2c(c1)OCCCO2 ZINC000563136175 292033511 /nfs/dbraw/zinc/03/35/11/292033511.db2.gz DZHZFEKICDGPES-SFHVURJKSA-N 1 0 302.418 2.423 10 0 DEAERO C[C@@H]1CCN(CC(=O)N2CCCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000262504457 296551646 /nfs/dbraw/zinc/55/16/46/296551646.db2.gz 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314.433 2.150 10 0 DEAERO CCc1nnc(C2CC[NH+](CCC(=O)OC(C)(C)C)CC2)[nH]1 ZINC000190695098 145046660 /nfs/dbraw/zinc/04/66/60/145046660.db2.gz ODTSNWIIIWONJR-UHFFFAOYSA-N 1 0 308.426 2.278 10 0 DEAERO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000191148414 145053609 /nfs/dbraw/zinc/05/36/09/145053609.db2.gz YMGMFKJANNSYBF-DTWKUNHWSA-N 1 0 301.184 2.176 10 0 DEAERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCCOCC(F)(F)F ZINC000191214490 145054191 /nfs/dbraw/zinc/05/41/91/145054191.db2.gz DNRMXQIAUOTHKM-WOPDTQHZSA-N 1 0 309.328 2.229 10 0 DEAERO CCOCCN1CC[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1CC ZINC000191335906 145056620 /nfs/dbraw/zinc/05/66/20/145056620.db2.gz XOEHZBBZFAVTOS-MSOLQXFVSA-N 1 0 312.498 2.360 10 0 DEAERO CCOC1CC(CCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000191716646 145063566 /nfs/dbraw/zinc/06/35/66/145063566.db2.gz BKMIGLBZIISAKM-YHNBSYBMSA-N 1 0 311.470 2.316 10 0 DEAERO CCOC1CC(CCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000191724576 145063706 /nfs/dbraw/zinc/06/37/06/145063706.db2.gz NSNMFBIZJZUFAR-JWMHWRSXSA-N 1 0 309.454 2.070 10 0 DEAERO O=C1O[C@H](C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)CC12CCC2 ZINC000192078750 145070890 /nfs/dbraw/zinc/07/08/90/145070890.db2.gz HPXGJGKAUMHQLG-CABCVRRESA-N 1 0 302.374 2.021 10 0 DEAERO COC(=O)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000193047049 145081507 /nfs/dbraw/zinc/08/15/07/145081507.db2.gz IKWMDOUVOWHBMQ-GOOCMWNKSA-N 1 0 318.417 2.197 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000193402093 145085525 /nfs/dbraw/zinc/08/55/25/145085525.db2.gz YYUNMDBVFVWXRP-HKUYNNGSSA-N 1 0 324.424 2.279 10 0 DEAERO CSc1ccccc1NC(=O)[C@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193622792 145087623 /nfs/dbraw/zinc/08/76/23/145087623.db2.gz OBNQQQYIUASVQK-MELADBBJSA-N 1 0 319.474 2.229 10 0 DEAERO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193628776 145087817 /nfs/dbraw/zinc/08/78/17/145087817.db2.gz QALDOOMNEMFQTL-MELADBBJSA-N 1 0 321.852 2.469 10 0 DEAERO Cc1sc(NC(=O)CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C)c1C ZINC000193616198 145088288 /nfs/dbraw/zinc/08/82/88/145088288.db2.gz GYGNVNJZBHWHPP-OKILXGFUSA-N 1 0 307.463 2.105 10 0 DEAERO CCn1c2cccc(F)c2nc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193646381 145088634 /nfs/dbraw/zinc/08/86/34/145088634.db2.gz DOTYXVQXRYFYQG-BETUJISGSA-N 1 0 302.397 2.189 10 0 DEAERO Cc1cccc(NC(=O)[C@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1C ZINC000193655927 145088757 /nfs/dbraw/zinc/08/87/57/145088757.db2.gz XPZXDJDWZSIIEG-HRCADAONSA-N 1 0 301.434 2.124 10 0 DEAERO C[N@H+]1C[C@H]2CN(Cc3ccn(-c4ccccc4F)n3)C[C@H]2C1 ZINC000193645659 145088796 /nfs/dbraw/zinc/08/87/96/145088796.db2.gz AHONIFRCVSHKKI-OKILXGFUSA-N 1 0 300.381 2.005 10 0 DEAERO Cc1ccc(C)c(OCC[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000246428930 145102868 /nfs/dbraw/zinc/10/28/68/145102868.db2.gz LCYRHPFHUYGMFI-ROUUACIJSA-N 1 0 318.461 2.335 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H](O)c1ccccc1 ZINC000246457703 145103355 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CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246565121 145107190 /nfs/dbraw/zinc/10/71/90/145107190.db2.gz HKIGVUAKTLKEIO-WMLDXEAASA-N 1 0 317.433 2.192 10 0 DEAERO CN(C)c1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(F)c1 ZINC000246669203 145109702 /nfs/dbraw/zinc/10/97/02/145109702.db2.gz LGMCIPQUFOEUPM-SUMWQHHRSA-N 1 0 319.424 2.448 10 0 DEAERO COC(=O)c1csc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000246675867 145110276 /nfs/dbraw/zinc/11/02/76/145110276.db2.gz MIYHCHDSEIHRBY-WCQGTBRESA-N 1 0 308.403 2.394 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCOc3ccc(F)cc3)[C@H]2C1 ZINC000246695076 145110996 /nfs/dbraw/zinc/11/09/96/145110996.db2.gz MZRITLBEQJOLMV-IKGGRYGDSA-N 1 0 309.381 2.473 10 0 DEAERO C[C@H](Sc1ccccn1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246728571 145111816 /nfs/dbraw/zinc/11/18/16/145111816.db2.gz XHRSJIPTNSYHRS-MELADBBJSA-N 1 0 305.447 2.257 10 0 DEAERO C[C@H](C(=O)NCc1ccccc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246730221 145112115 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C[C@@H](C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)C1C[NH2+]C1 ZINC000262561018 145292903 /nfs/dbraw/zinc/29/29/03/145292903.db2.gz QRMMQAKJCVXBBQ-PRHODGIISA-N 1 0 304.287 2.401 10 0 DEAERO CCCN(C(=O)[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CC[NH2+]C1 ZINC000262563089 145293598 /nfs/dbraw/zinc/29/35/98/145293598.db2.gz APTGPNKKENBSEY-UONOGXRCSA-N 1 0 306.406 2.063 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCc2sccc2C1 ZINC000262573125 145294547 /nfs/dbraw/zinc/29/45/47/145294547.db2.gz XQCOPBZJAOVVRO-MRRJBJDNSA-N 1 0 320.458 2.165 10 0 DEAERO C[C@H](C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)C1C[NH2+]C1 ZINC000262585122 145295517 /nfs/dbraw/zinc/29/55/17/145295517.db2.gz VELYLRMJMLTFKO-VUCTXSBTSA-N 1 0 318.417 2.163 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000262697214 145300685 /nfs/dbraw/zinc/30/06/85/145300685.db2.gz ABDRJCRVHDVVMV-BXUZGUMPSA-N 1 0 318.808 2.254 10 0 DEAERO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262723133 145301902 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VDRQORCQZRDXOY-UHFFFAOYSA-N 1 0 313.332 2.160 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC[N@@H+]1C ZINC000375224139 148345301 /nfs/dbraw/zinc/34/53/01/148345301.db2.gz JXGGQGGWFYWSMZ-JLJPHGGASA-N 1 0 318.417 2.022 10 0 DEAERO CC(C)(C)OC(=O)CC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375464419 148375988 /nfs/dbraw/zinc/37/59/88/148375988.db2.gz CUHUSMSSUOQHOX-LBPRGKRZSA-N 1 0 307.394 2.468 10 0 DEAERO Cc1cc(NC(=O)N2CCC([NH+](C)C)CC2)cc2n[nH]cc21 ZINC000408152657 148569363 /nfs/dbraw/zinc/56/93/63/148569363.db2.gz CKJQILOAGZJVJC-UHFFFAOYSA-N 1 0 301.394 2.429 10 0 DEAERO Cc1cc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)ccc1C(N)=O ZINC000111759930 401723284 /nfs/dbraw/zinc/72/32/84/401723284.db2.gz MZEWJFYKXLZCBS-ZDUSSCGKSA-N 1 0 318.421 2.090 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1C ZINC000111789308 401723948 /nfs/dbraw/zinc/72/39/48/401723948.db2.gz CLKCJFVWCABAAE-HZPDHXFCSA-N 1 0 319.449 2.466 10 0 DEAERO O=C(c1cnn2c1CCCC2)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000127257140 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CCOCC[N@@H+]1CCN(Cc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000111228074 401702230 /nfs/dbraw/zinc/70/22/30/401702230.db2.gz XPVHPTPXXIJKKB-HNNXBMFYSA-N 1 0 304.434 2.164 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCO[C@H](c2ccco2)C1 ZINC000126731495 401706126 /nfs/dbraw/zinc/70/61/26/401706126.db2.gz KWOCMUOAFTUUGF-ZBFHGGJFSA-N 1 0 323.437 2.339 10 0 DEAERO C[N@H+](CCn1cccn1)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000111278952 401707326 /nfs/dbraw/zinc/70/73/26/401707326.db2.gz MMWVGVSLBHJDAU-INIZCTEOSA-N 1 0 323.824 2.046 10 0 DEAERO C[C@H](O)C1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000111285416 401707923 /nfs/dbraw/zinc/70/79/23/401707923.db2.gz PQVDJGHPEJBKKY-ZDUSSCGKSA-N 1 0 324.852 2.439 10 0 DEAERO C[C@@H](O)C1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000111285418 401708068 /nfs/dbraw/zinc/70/80/68/401708068.db2.gz PQVDJGHPEJBKKY-CYBMUJFWSA-N 1 0 324.852 2.439 10 0 DEAERO COc1ccc(S(=O)(=O)[C@H](C[NH3+])c2cccc(C)c2)cc1 ZINC000008031182 401747650 /nfs/dbraw/zinc/74/76/50/401747650.db2.gz DCTOUNABCNAELR-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO C[C@@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000073485285 401718206 /nfs/dbraw/zinc/71/82/06/401718206.db2.gz FJTAJUODBHEVKC-NSHDSACASA-N 1 0 311.376 2.462 10 0 DEAERO CC(C)CCC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114414202 401798535 /nfs/dbraw/zinc/79/85/35/401798535.db2.gz ZYQQWOHRRASNPA-UHFFFAOYSA-N 1 0 318.465 2.228 10 0 DEAERO CN(C[C@H]1CCCO1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000076996472 401802090 /nfs/dbraw/zinc/80/20/90/401802090.db2.gz AFZXXGJQKORIDC-CVEARBPZSA-N 1 0 305.422 2.110 10 0 DEAERO COC(=O)Nc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127815171 401750793 /nfs/dbraw/zinc/75/07/93/401750793.db2.gz GSQRMDPLJHTKKF-OLZOCXBDSA-N 1 0 319.405 2.420 10 0 DEAERO C[NH+]1CCC2(C[N@H+](Cc3ccc(F)cc3)C[C@H]2C(=O)[O-])CC1 ZINC000008698697 401755294 /nfs/dbraw/zinc/75/52/94/401755294.db2.gz XNUQHECOGQSOOF-HNNXBMFYSA-N 1 0 306.381 2.054 10 0 DEAERO CC(C)[C@@H](CNC(=O)NCC1(C)COC1)[NH+]1CCCCCC1 ZINC000112742075 401757405 /nfs/dbraw/zinc/75/74/05/401757405.db2.gz ZKEFKFIYQMYJTH-OAHLLOKOSA-N 1 0 311.470 2.223 10 0 DEAERO O=C(NCCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1)C(F)(F)F ZINC000128081724 401761810 /nfs/dbraw/zinc/76/18/10/401761810.db2.gz SVBGSOFFPPTEST-RYUDHWBXSA-N 1 0 318.343 2.025 10 0 DEAERO O=C(c1cccc2c1OCO2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919051 401761850 /nfs/dbraw/zinc/76/18/50/401761850.db2.gz GPODAJXDQFDWAO-UHFFFAOYSA-N 1 0 316.401 2.363 10 0 DEAERO C[C@@H]1CCC[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000075632791 401765106 /nfs/dbraw/zinc/76/51/06/401765106.db2.gz DORKMMZALZCCRW-GDBMZVCRSA-N 1 0 316.449 2.142 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(-c2cccnc2)on1 ZINC000113226095 401770840 /nfs/dbraw/zinc/77/08/40/401770840.db2.gz QVNQTKMGCLSMDY-GXTWGEPZSA-N 1 0 312.373 2.045 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000113226565 401770848 /nfs/dbraw/zinc/77/08/48/401770848.db2.gz KGTXFJUMULAJRC-CRAIPNDOSA-N 1 0 324.428 2.240 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC(=O)c1ccccc1 ZINC000113225179 401770899 /nfs/dbraw/zinc/77/08/99/401770899.db2.gz FVNOZAMDVZOSLW-GDBMZVCRSA-N 1 0 300.402 2.345 10 0 DEAERO CC[S@@](=O)c1ccccc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113225122 401770927 /nfs/dbraw/zinc/77/09/27/401770927.db2.gz IFBOKQXTFLURDG-OKHZJLECSA-N 1 0 320.458 2.123 10 0 DEAERO COC(=O)Nc1ccccc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113231348 401771488 /nfs/dbraw/zinc/77/14/88/401771488.db2.gz AJWXBTWPTSTWNQ-QWHCGFSZSA-N 1 0 317.389 2.174 10 0 DEAERO CC(C)NC(=O)CC[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000075865441 401772409 /nfs/dbraw/zinc/77/24/09/401772409.db2.gz DSYHCWIOTXDKFN-KRWDZBQOSA-N 1 0 304.434 2.440 10 0 DEAERO Cc1cc(C)cc(OC[C@H](O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113310502 401776299 /nfs/dbraw/zinc/77/62/99/401776299.db2.gz FIRMDSIRGYEODF-OKZBNKHCSA-N 1 0 318.461 2.212 10 0 DEAERO CC1CCC(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000128472027 401778403 /nfs/dbraw/zinc/77/84/03/401778403.db2.gz VIGLENFVIZDMOS-HDWXEKECSA-N 1 0 308.466 2.308 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCc1ccccc1 ZINC000113577370 401782631 /nfs/dbraw/zinc/78/26/31/401782631.db2.gz ITYKBDOJRTUYOW-DOTOQJQBSA-N 1 0 301.434 2.497 10 0 DEAERO CCOc1ccccc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113601371 401782970 /nfs/dbraw/zinc/78/29/70/401782970.db2.gz BDPJCISQAXOFLD-GOEBONIOSA-N 1 0 317.433 2.463 10 0 DEAERO COc1cccc(CCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113588894 401783351 /nfs/dbraw/zinc/78/33/51/401783351.db2.gz WJBDQYQQDWOFCJ-GOEBONIOSA-N 1 0 317.433 2.116 10 0 DEAERO Cc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)nn1-c1ccccc1 ZINC000114148259 401793165 /nfs/dbraw/zinc/79/31/65/401793165.db2.gz OSZSLPJXUKLKHH-HNNXBMFYSA-N 1 0 312.417 2.204 10 0 DEAERO Cc1ccn2ncc(C(=O)N(CC[NH+](C)C)c3ccccc3)c2n1 ZINC000114252804 401795256 /nfs/dbraw/zinc/79/52/56/401795256.db2.gz IADTZQPLECNKBR-UHFFFAOYSA-N 1 0 323.400 2.246 10 0 DEAERO COc1ccccc1-c1nnc(CN2CCC([NH+](C)C)CC2)o1 ZINC000130234374 401824121 /nfs/dbraw/zinc/82/41/21/401824121.db2.gz UAIGQWXMNLSKGA-UHFFFAOYSA-N 1 0 316.405 2.271 10 0 DEAERO [NH3+]CC1(NS(=O)(=O)c2ccc3c(c2)CCC3)CCCCC1 ZINC000020432132 401824724 /nfs/dbraw/zinc/82/47/24/401824724.db2.gz HXVWWMOEWAQIDF-UHFFFAOYSA-N 1 0 308.447 2.115 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1cccs1 ZINC000115370225 401825932 /nfs/dbraw/zinc/82/59/32/401825932.db2.gz HTMCCDCOKJGKLX-CYBMUJFWSA-N 1 0 310.463 2.253 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)CC2CCOCC2)ccc1F ZINC000117261210 401870993 /nfs/dbraw/zinc/87/09/93/401870993.db2.gz NFBFGBQDYILJGO-UHFFFAOYSA-N 1 0 308.397 2.320 10 0 DEAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1nc2ccccc2s1 ZINC000023249650 401827805 /nfs/dbraw/zinc/82/78/05/401827805.db2.gz IRKBTBYTNANLHG-GFCCVEGCSA-N 1 0 316.430 2.015 10 0 DEAERO C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000077757255 401829429 /nfs/dbraw/zinc/82/94/29/401829429.db2.gz VIZNKOFUOOAFEH-LSDHHAIUSA-N 1 0 319.449 2.099 10 0 DEAERO C[C@@H](C(=O)N1CC[C@H](c2cnn(C)c2)C1)[NH+]1CCCCCC1 ZINC000116116534 401842445 /nfs/dbraw/zinc/84/24/45/401842445.db2.gz UWCHPLJAAYBREW-GJZGRUSLSA-N 1 0 304.438 2.001 10 0 DEAERO C[C@H](C(=O)N1CC[C@H](c2cnn(C)c2)C1)[NH+]1CCCCCC1 ZINC000116116536 401842470 /nfs/dbraw/zinc/84/24/70/401842470.db2.gz UWCHPLJAAYBREW-CABCVRRESA-N 1 0 304.438 2.001 10 0 DEAERO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cn1 ZINC000116247781 401846697 /nfs/dbraw/zinc/84/66/97/401846697.db2.gz CXBLMVGMKOWIEQ-KSSFIOAISA-N 1 0 324.428 2.425 10 0 DEAERO COc1ccccc1OCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116313641 401849611 /nfs/dbraw/zinc/84/96/11/401849611.db2.gz SMQBQZBYBHHGBC-CQSZACIVSA-N 1 0 301.390 2.297 10 0 DEAERO CN(CC[NH+]1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000131442941 401850691 /nfs/dbraw/zinc/85/06/91/401850691.db2.gz DAIZTACYVNYKCV-UHFFFAOYSA-N 1 0 311.433 2.489 10 0 DEAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000028878370 401853210 /nfs/dbraw/zinc/85/32/10/401853210.db2.gz ISTHJDCXWGCOAW-HTQZYQBOSA-N 1 0 318.204 2.488 10 0 DEAERO Cc1ccc(CCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000116555973 401854798 /nfs/dbraw/zinc/85/47/98/401854798.db2.gz OIFYBVXNRSSANX-RDJZCZTQSA-N 1 0 301.434 2.416 10 0 DEAERO Cc1ccc(N2CCCC2)c(C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000116763090 401858302 /nfs/dbraw/zinc/85/83/02/401858302.db2.gz FDJGDQOFJDWAIG-HNNXBMFYSA-N 1 0 301.434 2.419 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)CCc2ccc(Cl)cc2)CCO1 ZINC000116793857 401858979 /nfs/dbraw/zinc/85/89/79/401858979.db2.gz YTGAXJQGKNWVCN-HNNXBMFYSA-N 1 0 310.825 2.062 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)CCO1 ZINC000116786525 401859162 /nfs/dbraw/zinc/85/91/62/401859162.db2.gz LYSUFMOPAGDESO-ZDUSSCGKSA-N 1 0 316.323 2.108 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCC2)CCO1 ZINC000116787857 401859307 /nfs/dbraw/zinc/85/93/07/401859307.db2.gz HKLBRYQFIIAGHL-MRXNPFEDSA-N 1 0 320.408 2.036 10 0 DEAERO Cc1cc(F)cc2[nH]c(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc21 ZINC000116797040 401859934 /nfs/dbraw/zinc/85/99/34/401859934.db2.gz AIGQQMZNCBDBRN-ZDUSSCGKSA-N 1 0 319.380 2.018 10 0 DEAERO C[C@@H](CC[NH2+]Cc1ccc(Br)cn1)[S@@](C)=O ZINC000132542417 401869099 /nfs/dbraw/zinc/86/90/99/401869099.db2.gz KPOTUHMHVDEVHJ-FVMDXXJSSA-N 1 0 305.241 2.091 10 0 DEAERO CC(C)c1noc(CCC(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000129961405 401813375 /nfs/dbraw/zinc/81/33/75/401813375.db2.gz MPXOBCFHOOVQOV-UHFFFAOYSA-N 1 0 322.453 2.362 10 0 DEAERO C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)[C@H](C)CO ZINC000077423438 401815130 /nfs/dbraw/zinc/81/51/30/401815130.db2.gz BYNJJJNKVLQFRW-RKDXNWHRSA-N 1 0 316.195 2.284 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(CC)c(F)c1 ZINC000119122746 401927429 /nfs/dbraw/zinc/92/74/29/401927429.db2.gz NFJSXGGGXWYZBS-UHFFFAOYSA-N 1 0 323.412 2.175 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000119192791 401931920 /nfs/dbraw/zinc/93/19/20/401931920.db2.gz NLAWIWCCAUAYCW-BBRMVZONSA-N 1 0 323.437 2.401 10 0 DEAERO CCC[C@@H](C(=O)NCc1cccnc1OCC(F)F)[NH+](C)C ZINC000135245569 401931922 /nfs/dbraw/zinc/93/19/22/401931922.db2.gz NZRWFEMXZYLNSG-LBPRGKRZSA-N 1 0 315.364 2.072 10 0 DEAERO CC(C)Oc1cccnc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000079531303 401875143 /nfs/dbraw/zinc/87/51/43/401875143.db2.gz CZBNHFYNIVKNJA-CQSZACIVSA-N 1 0 305.422 2.473 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc(Cl)c1 ZINC000032072949 401876024 /nfs/dbraw/zinc/87/60/24/401876024.db2.gz HTPQSSWRHVDMAF-LLVKDONJSA-N 1 0 304.843 2.349 10 0 DEAERO CCOC(=O)CCCC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000132946003 401876898 /nfs/dbraw/zinc/87/68/98/401876898.db2.gz XVIGCEXRPMAQED-UHFFFAOYSA-N 1 0 320.437 2.031 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc2c(c1)OCCCO2 ZINC000132989905 401877544 /nfs/dbraw/zinc/87/75/44/401877544.db2.gz YRKZEUYXURBFRN-GXTWGEPZSA-N 1 0 304.390 2.119 10 0 DEAERO CC[C@@H]1CN(C(=O)NCc2cccc(F)c2)CC[N@@H+]1CCOC ZINC000117475260 401877913 /nfs/dbraw/zinc/87/79/13/401877913.db2.gz NJFIUTJKMUUJGI-MRXNPFEDSA-N 1 0 323.412 2.078 10 0 DEAERO CC(C)[C@@H]1CCCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000117478646 401878248 /nfs/dbraw/zinc/87/82/48/401878248.db2.gz BRTMCSTXCJXXMY-INIZCTEOSA-N 1 0 311.470 2.319 10 0 DEAERO CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000133064894 401878793 /nfs/dbraw/zinc/87/87/93/401878793.db2.gz GMZYIBSWNUVOTL-AWEZNQCLSA-N 1 0 314.451 2.444 10 0 DEAERO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000035230376 401897130 /nfs/dbraw/zinc/89/71/30/401897130.db2.gz FIDFRRUTPMHYRN-NSHDSACASA-N 1 0 308.378 2.324 10 0 DEAERO CC(C)NC(=O)CN1CCc2cccc(Br)c2C1 ZINC000118411204 401897295 /nfs/dbraw/zinc/89/72/95/401897295.db2.gz UQQLBPQNIUVHIM-UHFFFAOYSA-N 1 0 311.223 2.332 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)NCc3ccncc3)cc2)CC1 ZINC000118757227 401907005 /nfs/dbraw/zinc/90/70/05/401907005.db2.gz JWORJIVHSGLLMC-UHFFFAOYSA-N 1 0 324.428 2.154 10 0 DEAERO COC(=O)c1sc(N2CCC([NH+](C)C)CC2)nc1Cl ZINC000037579433 401915826 /nfs/dbraw/zinc/91/58/26/401915826.db2.gz SALLDOMNZKMJSW-UHFFFAOYSA-N 1 0 303.815 2.114 10 0 DEAERO C[N@H+](CCCc1ccccc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085786544 401918988 /nfs/dbraw/zinc/91/89/88/401918988.db2.gz GWFISVPNXZZYHL-KRWDZBQOSA-N 1 0 324.490 2.223 10 0 DEAERO CCOC(=O)C(C)(C)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000134978217 401922743 /nfs/dbraw/zinc/92/27/43/401922743.db2.gz ACDXLCKFBWERDJ-CQSZACIVSA-N 1 0 310.438 2.053 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1C=O ZINC000119457015 401951345 /nfs/dbraw/zinc/95/13/45/401951345.db2.gz SYSJUQAHDTVPIG-MRXNPFEDSA-N 1 0 318.417 2.115 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000089633700 401954572 /nfs/dbraw/zinc/95/45/72/401954572.db2.gz PBHMBSQAYUZFEA-WDEREUQCSA-N 1 0 301.456 2.030 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)CS(C)(=O)=O ZINC000089633702 401954790 /nfs/dbraw/zinc/95/47/90/401954790.db2.gz PBHMBSQAYUZFEA-GHMZBOCLSA-N 1 0 301.456 2.030 10 0 DEAERO CC[C@H](CO)NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119583639 401959927 /nfs/dbraw/zinc/95/99/27/401959927.db2.gz VNTCDWUGFMSDQQ-SJLPKXTDSA-N 1 0 319.449 2.111 10 0 DEAERO CCc1nccn1[C@@H]1CCCN(Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000120177475 401981308 /nfs/dbraw/zinc/98/13/08/401981308.db2.gz SBRIHCAKBDGFLS-CQSZACIVSA-N 1 0 315.421 2.341 10 0 DEAERO Cc1c(C(=O)NC[C@H]([NH3+])C2CC2)cnn1-c1ccccc1Cl ZINC000137325606 401982481 /nfs/dbraw/zinc/98/24/81/401982481.db2.gz ULENKCJPJIIBRX-AWEZNQCLSA-N 1 0 318.808 2.301 10 0 DEAERO COc1cc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)ccc1F ZINC000090882376 401988243 /nfs/dbraw/zinc/98/82/43/401988243.db2.gz UTENECYIVBKMAK-NSHDSACASA-N 1 0 315.410 2.310 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC000119305636 401939981 /nfs/dbraw/zinc/93/99/81/401939981.db2.gz XJNRHRJCCBAYGO-JSGCOSHPSA-N 1 0 324.856 2.402 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(Oc3cnccn3)c2)C1 ZINC000135449368 401940304 /nfs/dbraw/zinc/94/03/04/401940304.db2.gz WCZSWYYBKHSBOS-AWEZNQCLSA-N 1 0 312.373 2.045 10 0 DEAERO C[C@H](C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1)CS(C)(=O)=O ZINC000119325706 401941509 /nfs/dbraw/zinc/94/15/09/401941509.db2.gz KOHIOENBTSSGGX-NVXWUHKLSA-N 1 0 324.490 2.268 10 0 DEAERO CC(C)(C)c1ncc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)s1 ZINC000121056560 402012765 /nfs/dbraw/zinc/01/27/65/402012765.db2.gz VKHDHNXTWZEAJT-ZDUSSCGKSA-N 1 0 309.479 2.347 10 0 DEAERO CC[C@H]1CN(CCC(=O)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000122011703 402059168 /nfs/dbraw/zinc/05/91/68/402059168.db2.gz FLWLWXRBKOTNRL-KRWDZBQOSA-N 1 0 322.424 2.441 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2nnc(C(F)F)s2)[C@@H](C)C1 ZINC000121245848 402023156 /nfs/dbraw/zinc/02/31/56/402023156.db2.gz IMHBDZYACUAPNA-YUMQZZPRSA-N 1 0 319.381 2.326 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cnccn1 ZINC000095089256 402025325 /nfs/dbraw/zinc/02/53/25/402025325.db2.gz QPFLGWDLIKXQCY-CHWSQXEVSA-N 1 0 306.410 2.384 10 0 DEAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCOCCc1ccccc1 ZINC000051591380 402034987 /nfs/dbraw/zinc/03/49/87/402034987.db2.gz DAHYLRDFEVLZGQ-QGZVFWFLSA-N 1 0 304.434 2.188 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151478971 402038594 /nfs/dbraw/zinc/03/85/94/402038594.db2.gz JRXCZZBWMUGOBP-NUJGCVRESA-N 1 0 323.481 2.197 10 0 DEAERO CCCOc1ccc(OCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000053815911 402060166 /nfs/dbraw/zinc/06/01/66/402060166.db2.gz HSBBHNGBNIGFDP-QGZVFWFLSA-N 1 0 320.433 2.407 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2c2ccncc2)C1 ZINC000052592765 402044383 /nfs/dbraw/zinc/04/43/83/402044383.db2.gz XVOPTNGZAKRZRH-JKSUJKDBSA-N 1 0 302.422 2.412 10 0 DEAERO CCC[C@@H](C)CS(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151750233 402054508 /nfs/dbraw/zinc/05/45/08/402054508.db2.gz WXWWAXKFMRAEQE-WLYUNCDWSA-N 1 0 304.500 2.462 10 0 DEAERO COC(=O)c1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000150860084 402000960 /nfs/dbraw/zinc/00/09/60/402000960.db2.gz PEHPKIVQSAXLIX-DOMZBBRYSA-N 1 0 319.405 2.323 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CSCc1ccncc1 ZINC000120955265 402007928 /nfs/dbraw/zinc/00/79/28/402007928.db2.gz JNZYAZHJSAMFNY-HNNXBMFYSA-N 1 0 309.479 2.407 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1Cl ZINC000048905400 402008900 /nfs/dbraw/zinc/00/89/00/402008900.db2.gz AONROJUBGMGNLG-LBPRGKRZSA-N 1 0 316.854 2.493 10 0 DEAERO CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000152379519 402093186 /nfs/dbraw/zinc/09/31/86/402093186.db2.gz AQFJKTWOJOHXQT-CVEARBPZSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@@H]1CC[C@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)O1 ZINC000153005804 402121753 /nfs/dbraw/zinc/12/17/53/402121753.db2.gz QILBKAMRGOCVNV-IUODEOHRSA-N 1 0 319.405 2.061 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000152762667 402107111 /nfs/dbraw/zinc/10/71/11/402107111.db2.gz JDFUVMVHZWOLIP-MDZLAQPJSA-N 1 0 312.360 2.299 10 0 DEAERO Cc1nn(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1Cl ZINC000123279808 402119231 /nfs/dbraw/zinc/11/92/31/402119231.db2.gz OWXXZVMGIKRTNI-MFKMUULPSA-N 1 0 312.845 2.094 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCN(C)c1ccccc1 ZINC000097413455 402124563 /nfs/dbraw/zinc/12/45/63/402124563.db2.gz OUVRRXDVYHIBEP-MRXNPFEDSA-N 1 0 320.481 2.398 10 0 DEAERO CC[C@](C)(O)C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000123409399 402126467 /nfs/dbraw/zinc/12/64/67/402126467.db2.gz LIFWLWWHVVDIQV-KRWDZBQOSA-N 1 0 324.852 2.188 10 0 DEAERO CC[N@H+](CC(=O)N1CCC[C@H]1c1noc(C(C)C)n1)C1CC1 ZINC000153101967 402126557 /nfs/dbraw/zinc/12/65/57/402126557.db2.gz JFKJUAZTBZYVHH-ZDUSSCGKSA-N 1 0 306.410 2.341 10 0 DEAERO COc1cccc(Cl)c1CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000153135553 402128912 /nfs/dbraw/zinc/12/89/12/402128912.db2.gz NQVPOVLCUQUORB-GFCCVEGCSA-N 1 0 310.825 2.444 10 0 DEAERO CC[C@](C)(O)C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000123461923 402129210 /nfs/dbraw/zinc/12/92/10/402129210.db2.gz QPXHBGDNXFYCJQ-KRWDZBQOSA-N 1 0 324.490 2.280 10 0 DEAERO Cc1ccsc1CNC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123523963 402132465 /nfs/dbraw/zinc/13/24/65/402132465.db2.gz FRDCKYMKYYNBCD-ZIAGYGMSSA-N 1 0 309.479 2.087 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC000123575318 402135516 /nfs/dbraw/zinc/13/55/16/402135516.db2.gz NAUVQSHBYQHYJG-AWEZNQCLSA-N 1 0 300.805 2.368 10 0 DEAERO NC(=O)N1CCC([NH2+]Cc2ccnc(OC3CCCC3)c2)CC1 ZINC000153338656 402140165 /nfs/dbraw/zinc/14/01/65/402140165.db2.gz KROHRUOTWDOSSJ-UHFFFAOYSA-N 1 0 318.421 2.036 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000123796708 402147209 /nfs/dbraw/zinc/14/72/09/402147209.db2.gz UQQMIYNLALSVSS-CQSZACIVSA-N 1 0 311.451 2.171 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1O ZINC000101649938 402153322 /nfs/dbraw/zinc/15/33/22/402153322.db2.gz KEKGYWGROZHOOP-KRWDZBQOSA-N 1 0 312.413 2.224 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(F)cc2F)CC[N@@H+]1C ZINC000123996910 402158260 /nfs/dbraw/zinc/15/82/60/402158260.db2.gz NHUUGHULCVKOTK-WCQYABFASA-N 1 0 311.376 2.318 10 0 DEAERO COc1cc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)ccc1F ZINC000153903676 402179287 /nfs/dbraw/zinc/17/92/87/402179287.db2.gz FWQNUMFXJAGKEC-UONOGXRCSA-N 1 0 310.413 2.453 10 0 DEAERO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000067984886 402181547 /nfs/dbraw/zinc/18/15/47/402181547.db2.gz IMPKLIBRFWXVAM-INIZCTEOSA-N 1 0 318.417 2.120 10 0 DEAERO CCCC(=O)NCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153977682 402184330 /nfs/dbraw/zinc/18/43/30/402184330.db2.gz SNNMLOHTBKKQFK-UHFFFAOYSA-N 1 0 323.481 2.017 10 0 DEAERO COC[C@@H](C)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000103427855 402187347 /nfs/dbraw/zinc/18/73/47/402187347.db2.gz WVOMZDQCFJEVKW-GDBMZVCRSA-N 1 0 320.433 2.231 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)COC)Cc1ccccc1 ZINC000103430123 402187464 /nfs/dbraw/zinc/18/74/64/402187464.db2.gz XVSORDFBNCXFIW-RDJZCZTQSA-N 1 0 306.450 2.338 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]C2CCN(c3ncccn3)CC2)C12CCC2 ZINC000124697584 402192232 /nfs/dbraw/zinc/19/22/32/402192232.db2.gz XCNDUPPUNLPMOZ-HOTGVXAUSA-N 1 0 316.449 2.383 10 0 DEAERO COc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1OC ZINC000124819618 402198588 /nfs/dbraw/zinc/19/85/88/402198588.db2.gz ACKVZFUPFCFRQV-STQMWFEESA-N 1 0 306.406 2.259 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000124826488 402199250 /nfs/dbraw/zinc/19/92/50/402199250.db2.gz KDBFSSYKXQFSKA-OCCSQVGLSA-N 1 0 304.390 2.013 10 0 DEAERO C[C@@H]1NC(=S)N(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1=O ZINC000067507292 402160996 /nfs/dbraw/zinc/16/09/96/402160996.db2.gz MFFDYRUZQZYPEZ-DZGCQCFKSA-N 1 0 317.458 2.146 10 0 DEAERO CN(Cc1cc(-c2ccccc2)on1)c1cc(CC[NH3+])ncn1 ZINC000067725963 402170736 /nfs/dbraw/zinc/17/07/36/402170736.db2.gz BFRSACIVAHNXJB-UHFFFAOYSA-N 1 0 309.373 2.269 10 0 DEAERO O=C1CCCN1CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102929249 402174794 /nfs/dbraw/zinc/17/47/94/402174794.db2.gz YMJRHHIQZVSTIL-AWEZNQCLSA-N 1 0 302.374 2.175 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000103074737 402177706 /nfs/dbraw/zinc/17/77/06/402177706.db2.gz ZNFNWQMWTZUHGX-MRXNPFEDSA-N 1 0 319.449 2.095 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000153891192 402178126 /nfs/dbraw/zinc/17/81/26/402178126.db2.gz YUDZMKMQDDPTRY-TYNCELHUSA-N 1 0 306.454 2.365 10 0 DEAERO Cc1nccn1CCC[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125161406 402216802 /nfs/dbraw/zinc/21/68/02/402216802.db2.gz VOVQNGTTWIAUEQ-QGZVFWFLSA-N 1 0 312.417 2.319 10 0 DEAERO O[C@@H](COc1ccccc1Cl)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125281222 402223466 /nfs/dbraw/zinc/22/34/66/402223466.db2.gz KDZSNJVMUTXLBD-HUUCEWRRSA-N 1 0 324.852 2.250 10 0 DEAERO O=C(CCc1ccccn1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107528523 402234750 /nfs/dbraw/zinc/23/47/50/402234750.db2.gz ZQEYYPWMJDHPQX-QGZVFWFLSA-N 1 0 301.434 2.491 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)n(-c3ccccc3)n2)C1 ZINC000107889101 402243071 /nfs/dbraw/zinc/24/30/71/402243071.db2.gz NNEITMOSJDCOBA-OAHLLOKOSA-N 1 0 312.417 2.252 10 0 DEAERO CC(C)[C@@H](O)CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000155075461 402244259 /nfs/dbraw/zinc/24/42/59/402244259.db2.gz XECOWYNVTJSOQY-HOCLYGCPSA-N 1 0 321.465 2.432 10 0 DEAERO COCCCOc1cccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c1 ZINC000155194359 402248116 /nfs/dbraw/zinc/24/81/16/402248116.db2.gz NNFVVYPYGNGRNE-HUUCEWRRSA-N 1 0 320.433 2.267 10 0 DEAERO COCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000070455965 402260632 /nfs/dbraw/zinc/26/06/32/402260632.db2.gz PGRWPLNOGQVKCW-ZDUSSCGKSA-N 1 0 318.808 2.481 10 0 DEAERO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886851 402210746 /nfs/dbraw/zinc/21/07/46/402210746.db2.gz WAUOYZCUHSZNKU-CQSZACIVSA-N 1 0 306.454 2.288 10 0 DEAERO CCn1cnnc1C1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000105928334 402211127 /nfs/dbraw/zinc/21/11/27/402211127.db2.gz VRMDEJVMMRXPTM-UHFFFAOYSA-N 1 0 320.359 2.446 10 0 DEAERO CC(C)CCOCC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105910304 402211394 /nfs/dbraw/zinc/21/13/94/402211394.db2.gz GNVFAXYTTBGUKB-UHFFFAOYSA-N 1 0 306.454 2.440 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ncccc1OC(C)C ZINC000176075431 402276191 /nfs/dbraw/zinc/27/61/91/402276191.db2.gz LODHZUWBOTVPGU-CQSZACIVSA-N 1 0 305.422 2.425 10 0 DEAERO CCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000110086508 402281341 /nfs/dbraw/zinc/28/13/41/402281341.db2.gz OMOZFDOHEOTBFI-OAHLLOKOSA-N 1 0 305.422 2.481 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(F)cc1C ZINC000110086665 402281424 /nfs/dbraw/zinc/28/14/24/402281424.db2.gz QBYJNCBNZGYRQC-CQSZACIVSA-N 1 0 309.385 2.366 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)N[C@H]1CCCn2ncnc21 ZINC000176135025 402282836 /nfs/dbraw/zinc/28/28/36/402282836.db2.gz WQMACOHZFUWFKQ-AWEZNQCLSA-N 1 0 307.442 2.131 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)C1CCCC1 ZINC000184614033 402284015 /nfs/dbraw/zinc/28/40/15/402284015.db2.gz JUZJKNVUVOBBAH-OAHLLOKOSA-N 1 0 323.481 2.064 10 0 DEAERO COCC[C@@H](C)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000176222145 402291958 /nfs/dbraw/zinc/29/19/58/402291958.db2.gz KCXCWYDTZAZHJK-OAHLLOKOSA-N 1 0 300.402 2.411 10 0 DEAERO O=C(N[C@@H]1CCOC2(CCCC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000157251565 402293584 /nfs/dbraw/zinc/29/35/84/402293584.db2.gz LBVFYFYIPUCSAI-HZPDHXFCSA-N 1 0 319.449 2.134 10 0 DEAERO Cn1cc(CCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000176298954 402297814 /nfs/dbraw/zinc/29/78/14/402297814.db2.gz ALDTUPILFPILJF-INIZCTEOSA-N 1 0 311.429 2.418 10 0 DEAERO CC(C)C[C@@H](C)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000184767749 402298687 /nfs/dbraw/zinc/29/86/87/402298687.db2.gz YXRSJFHABDMSSH-SJORKVTESA-N 1 0 309.498 2.297 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(Cl)cn2)C1 ZINC000222205971 402306287 /nfs/dbraw/zinc/30/62/87/402306287.db2.gz ORURRGCYUBTQKT-SWLSCSKDSA-N 1 0 322.840 2.361 10 0 DEAERO O=C(NCCc1cc(F)ccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000176455873 402311290 /nfs/dbraw/zinc/31/12/90/402311290.db2.gz VILBALFZDIVZNA-HNNXBMFYSA-N 1 0 323.387 2.387 10 0 DEAERO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1cscn1 ZINC000176468163 402312759 /nfs/dbraw/zinc/31/27/59/402312759.db2.gz CDXPCAOVRSBNDZ-UHFFFAOYSA-N 1 0 324.475 2.478 10 0 DEAERO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC(=O)NC(N)=O ZINC000184960419 402312909 /nfs/dbraw/zinc/31/29/09/402312909.db2.gz MZLSMAPXMOAYKO-ZDUSSCGKSA-N 1 0 317.414 2.125 10 0 DEAERO CCC[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C(=O)OC(C)(C)C ZINC000184983293 402314700 /nfs/dbraw/zinc/31/47/00/402314700.db2.gz JBJRTACARGEULG-CYBMUJFWSA-N 1 0 321.421 2.388 10 0 DEAERO CCc1nc(CNC(=O)N2CC[C@H]([NH+](CC)CC)C2)cs1 ZINC000176551435 402318772 /nfs/dbraw/zinc/31/87/72/402318772.db2.gz YNPHWQKAXPEIHQ-ZDUSSCGKSA-N 1 0 310.467 2.331 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(-c2cnn(C)c2)no1 ZINC000185039405 402319281 /nfs/dbraw/zinc/31/92/81/402319281.db2.gz AYJGHOXTBNDDIT-LSDHHAIUSA-N 1 0 315.421 2.134 10 0 DEAERO Cc1cnn(CCN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000225500845 402319560 /nfs/dbraw/zinc/31/95/60/402319560.db2.gz JNJXETIOJUKSIU-CJNGLKHVSA-N 1 0 307.344 2.278 10 0 DEAERO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](CO)CC(C)C)n(C(C)(C)C)n1 ZINC000185369632 402347846 /nfs/dbraw/zinc/34/78/46/402347846.db2.gz PESKERRNTCVCDJ-CQSZACIVSA-N 1 0 324.469 2.224 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1c(C)cccc1C ZINC000176905490 402348844 /nfs/dbraw/zinc/34/88/44/402348844.db2.gz KLGLCYXETWLOBC-OAHLLOKOSA-N 1 0 317.433 2.185 10 0 DEAERO CCC[C@@H]1CCCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000185398847 402349750 /nfs/dbraw/zinc/34/97/50/402349750.db2.gz GQXSLAFDTOCKKK-MRXNPFEDSA-N 1 0 311.470 2.463 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CSC[C@@H]1CCCCO1 ZINC000177033616 402361631 /nfs/dbraw/zinc/36/16/31/402361631.db2.gz DKPBRKHZHTXXSO-GJZGRUSLSA-N 1 0 314.495 2.231 10 0 DEAERO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000177214320 402382377 /nfs/dbraw/zinc/38/23/77/402382377.db2.gz WBWZPDRFBOHUJV-COXVUDFISA-N 1 0 324.852 2.026 10 0 DEAERO CCN(C(=O)[C@H](C)N1CCO[C@]2(CCOC2)C1)C1CCCCC1 ZINC000185142209 402328017 /nfs/dbraw/zinc/32/80/17/402328017.db2.gz GNFYRHRZRJBWRI-MAUKXSAKSA-N 1 0 324.465 2.047 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000185891351 402386236 /nfs/dbraw/zinc/38/62/36/402386236.db2.gz HWVXUKASPIFYRS-HNNXBMFYSA-N 1 0 316.405 2.477 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000227276622 402331341 /nfs/dbraw/zinc/33/13/41/402331341.db2.gz YZYYMTCHSAJJMB-ZNMIVQPWSA-N 1 0 308.809 2.367 10 0 DEAERO CC(C)CCC[C@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185209976 402334952 /nfs/dbraw/zinc/33/49/52/402334952.db2.gz AYRGUKIKOROACC-HRCADAONSA-N 1 0 313.486 2.298 10 0 DEAERO CC(C)[C@@H](CO)[NH2+]Cc1nc2cc(Br)ccc2[nH]1 ZINC000161712573 402397171 /nfs/dbraw/zinc/39/71/71/402397171.db2.gz BAHMHAIQRVEBDC-GFCCVEGCSA-N 1 0 312.211 2.432 10 0 DEAERO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000186057416 402398468 /nfs/dbraw/zinc/39/84/68/402398468.db2.gz ONQINMPGUREDEG-MJGOQNOKSA-N 1 0 316.445 2.067 10 0 DEAERO CN1CCC(CNC(=O)[C@H]2C[C@@H]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000177471912 402406821 /nfs/dbraw/zinc/40/68/21/402406821.db2.gz UPXSHSJTRWEVGO-SJORKVTESA-N 1 0 319.493 2.099 10 0 DEAERO Cc1cccc2c(O)c(C(=O)N3CCC([NH+](C)C)CC3)cnc12 ZINC000162095786 402409170 /nfs/dbraw/zinc/40/91/70/402409170.db2.gz OLJJPYRDWGOVLX-UHFFFAOYSA-N 1 0 313.401 2.415 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C12CCOCC2 ZINC000186203853 402410376 /nfs/dbraw/zinc/41/03/76/402410376.db2.gz VVMHGXSETIEGIB-USXIJHARSA-N 1 0 322.449 2.446 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCc2nc(C(C)(C)C)no2)C1 ZINC000177520928 402412416 /nfs/dbraw/zinc/41/24/16/402412416.db2.gz ZAISCGQPRFILJG-QWHCGFSZSA-N 1 0 322.453 2.289 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C(=O)NC)cc1 ZINC000177993268 402450212 /nfs/dbraw/zinc/45/02/12/402450212.db2.gz ZBTGOOSCRWJZIR-DLBZAZTESA-N 1 0 301.434 2.105 10 0 DEAERO C[C@H](NC(=O)C1([NH3+])CCCCC1)c1cn(-c2ccccc2)nn1 ZINC000237553662 402412923 /nfs/dbraw/zinc/41/29/23/402412923.db2.gz KXRQOSXDGOKNAE-ZDUSSCGKSA-N 1 0 313.405 2.106 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2)C12CCOCC2 ZINC000186341180 402422712 /nfs/dbraw/zinc/42/27/12/402422712.db2.gz JNLJITDDJNDKLH-IXDOHACOSA-N 1 0 305.418 2.284 10 0 DEAERO COc1cccc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1OC ZINC000162605351 402426265 /nfs/dbraw/zinc/42/62/65/402426265.db2.gz UXOIMHLHSDZHFH-UHFFFAOYSA-N 1 0 306.406 2.004 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000186388920 402427266 /nfs/dbraw/zinc/42/72/66/402427266.db2.gz FUQFCHWVURLJTL-CYBMUJFWSA-N 1 0 324.384 2.003 10 0 DEAERO [NH3+]C1(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CCCCC1 ZINC000237945185 402427458 /nfs/dbraw/zinc/42/74/58/402427458.db2.gz PSUDZZFKKNUHPP-GFCCVEGCSA-N 1 0 322.840 2.092 10 0 DEAERO [NH3+]CCCCCCC(=O)NC1CCN(c2ccccn2)CC1 ZINC000237981653 402429272 /nfs/dbraw/zinc/42/92/72/402429272.db2.gz SKJNCJYMLLNLBO-UHFFFAOYSA-N 1 0 304.438 2.076 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177713277 402429526 /nfs/dbraw/zinc/42/95/26/402429526.db2.gz NLBMRGDFIXLMAD-HZPDHXFCSA-N 1 0 318.465 2.482 10 0 DEAERO CC(C)(C)n1nccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000186459373 402432728 /nfs/dbraw/zinc/43/27/28/402432728.db2.gz DXCBAGHNBRFABH-ZDUSSCGKSA-N 1 0 305.426 2.340 10 0 DEAERO O=C(CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)Nc1ccccc1 ZINC000238032610 402433150 /nfs/dbraw/zinc/43/31/50/402433150.db2.gz WGMCREASLCEPHY-KBMXLJTQSA-N 1 0 315.417 2.052 10 0 DEAERO O=C(C[C@H]1CSCC[NH2+]1)Nc1nc(-c2ccccn2)cs1 ZINC000238098342 402437622 /nfs/dbraw/zinc/43/76/22/402437622.db2.gz NPZXQHUIFZNCKI-JTQLQIEISA-N 1 0 320.443 2.239 10 0 DEAERO CCc1c(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)[nH]c(C)c1C(C)=O ZINC000186533325 402439477 /nfs/dbraw/zinc/43/94/77/402439477.db2.gz ZDXQTNHROWETLW-CYBMUJFWSA-N 1 0 317.433 2.445 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2nccn2CC(C)C)C1 ZINC000177882388 402442169 /nfs/dbraw/zinc/44/21/69/402442169.db2.gz NHEZBZSNLVDXEL-HNNXBMFYSA-N 1 0 321.469 2.022 10 0 DEAERO C[C@H](C[NH+]1CCC(OC2CCCC2)CC1)CS(C)(=O)=O ZINC000163318175 402446801 /nfs/dbraw/zinc/44/68/01/402446801.db2.gz PCBKLNFWOWWNDL-CYBMUJFWSA-N 1 0 303.468 2.091 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)CCc1nccs1 ZINC000163332828 402447331 /nfs/dbraw/zinc/44/73/31/402447331.db2.gz YPMANHCBPHHBOV-ZDUSSCGKSA-N 1 0 312.483 2.447 10 0 DEAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000177332437 402391879 /nfs/dbraw/zinc/39/18/79/402391879.db2.gz CNFDDSJXDLRMEA-KBPBESRZSA-N 1 0 321.446 2.346 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)CCC(=O)N(CC)CC ZINC000237029016 402392331 /nfs/dbraw/zinc/39/23/31/402392331.db2.gz NDAHDOAEFYVFAL-UHFFFAOYSA-N 1 0 305.422 2.383 10 0 DEAERO CC(C)[NH+](CCNC(=O)N1CCC[C@H]1Cn1ccnc1)C(C)C ZINC000177344987 402393342 /nfs/dbraw/zinc/39/33/42/402393342.db2.gz PDTOETROCVFGIL-INIZCTEOSA-N 1 0 321.469 2.176 10 0 DEAERO CCOc1ncccc1CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177348722 402393868 /nfs/dbraw/zinc/39/38/68/402393868.db2.gz ILAJYKKSJVWJOV-OAHLLOKOSA-N 1 0 320.437 2.106 10 0 DEAERO CC(C)[C@@](C)(O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000186686816 402455356 /nfs/dbraw/zinc/45/53/56/402455356.db2.gz ICQZPKKYKLOZFM-SFHVURJKSA-N 1 0 310.482 2.364 10 0 DEAERO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000245403951 402456707 /nfs/dbraw/zinc/45/67/07/402456707.db2.gz NLQTUUUOOUZWKO-SQWLQELKSA-N 1 0 318.417 2.137 10 0 DEAERO C[C@H]1CCN(CC(=O)NC(=O)NC2CC2)[C@H]1c1cccc(F)c1 ZINC000245407769 402457488 /nfs/dbraw/zinc/45/74/88/402457488.db2.gz CUFCJLCKYYLAPY-MEDUHNTESA-N 1 0 319.380 2.197 10 0 DEAERO COC(=O)[C@H](N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1F ZINC000246166631 402514651 /nfs/dbraw/zinc/51/46/51/402514651.db2.gz FBPHUIJPTLRWSV-VBNZEHGJSA-N 1 0 308.397 2.358 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccccc1C ZINC000245419026 402458729 /nfs/dbraw/zinc/45/87/29/402458729.db2.gz GSJTVAKJKQDYIH-HOTGVXAUSA-N 1 0 301.434 2.492 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1nnc(C(C)C)o1 ZINC000245429363 402460023 /nfs/dbraw/zinc/46/00/23/402460023.db2.gz KILDHEYYUYSCJB-KBPBESRZSA-N 1 0 320.437 2.211 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NCc1ccccc1C ZINC000245463885 402463194 /nfs/dbraw/zinc/46/31/94/402463194.db2.gz HLTJSZOGULQDJK-SJLPKXTDSA-N 1 0 317.477 2.416 10 0 DEAERO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)c1 ZINC000245464067 402463247 /nfs/dbraw/zinc/46/32/47/402463247.db2.gz XTBMHBUSOAGWOH-ZIAGYGMSSA-N 1 0 317.433 2.495 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000245477399 402464684 /nfs/dbraw/zinc/46/46/84/402464684.db2.gz UKQVFLJQFOPPRV-SJLPKXTDSA-N 1 0 317.477 2.450 10 0 DEAERO C[N@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000245549640 402470050 /nfs/dbraw/zinc/47/00/50/402470050.db2.gz OESPCXPILWZQOJ-RRQGHBQHSA-N 1 0 320.408 2.414 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)on3)C[C@@H]12 ZINC000186908936 402471038 /nfs/dbraw/zinc/47/10/38/402471038.db2.gz ZXFVJBBGXKYRDC-IACUBPJLSA-N 1 0 315.348 2.290 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000245564221 402471702 /nfs/dbraw/zinc/47/17/02/402471702.db2.gz WEGOXVASBRBSHQ-FPCVCCKLSA-N 1 0 321.465 2.118 10 0 DEAERO [NH3+]C[C@H]1CN(CCOc2c(Cl)cccc2Cl)CCO1 ZINC000165003030 402471947 /nfs/dbraw/zinc/47/19/47/402471947.db2.gz FLXUGZLBSWVTJY-JTQLQIEISA-N 1 0 305.205 2.032 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)N2CCOC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000245672396 402477544 /nfs/dbraw/zinc/47/75/44/402477544.db2.gz SJPDDIOABZMFNI-HOTGVXAUSA-N 1 0 317.433 2.252 10 0 DEAERO CCCn1cc(CN2CCN(CC(F)F)[C@@H](CC)C2)cn1 ZINC000245691966 402479724 /nfs/dbraw/zinc/47/97/24/402479724.db2.gz BNEZKVRUUBGTTJ-AWEZNQCLSA-N 1 0 300.397 2.454 10 0 DEAERO COC[C@@H](C)C[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000187099256 402482792 /nfs/dbraw/zinc/48/27/92/402482792.db2.gz KEIGRVDKWAIAFR-KRWDZBQOSA-N 1 0 318.461 2.436 10 0 DEAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C ZINC000178314654 402484163 /nfs/dbraw/zinc/48/41/63/402484163.db2.gz BLOGNWTZFMIPJV-GOEBONIOSA-N 1 0 304.438 2.057 10 0 DEAERO COCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245733274 402484272 /nfs/dbraw/zinc/48/42/72/402484272.db2.gz ZIZCZMSGOUERKN-GDBMZVCRSA-N 1 0 312.360 2.253 10 0 DEAERO COC[C@H](C)n1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000187176626 402486190 /nfs/dbraw/zinc/48/61/90/402486190.db2.gz POWMZZGQLCBKTH-KGLIPLIRSA-N 1 0 323.441 2.086 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)o1 ZINC000187182397 402487018 /nfs/dbraw/zinc/48/70/18/402487018.db2.gz VDIWYKHSTQEAKT-JSGCOSHPSA-N 1 0 323.437 2.136 10 0 DEAERO C[C@H](C(=O)N1CCCC[C@H]1c1nc[nH]n1)[C@@H]([NH3+])c1ccccc1 ZINC000245776960 402486998 /nfs/dbraw/zinc/48/69/98/402486998.db2.gz YFYSXOINBMRISR-AEGPPILISA-N 1 0 313.405 2.194 10 0 DEAERO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)[C@@H]1CCCO1 ZINC000245777158 402487336 /nfs/dbraw/zinc/48/73/36/402487336.db2.gz ZISHIPQTOKCSNN-QXSJWSMHSA-N 1 0 311.470 2.316 10 0 DEAERO CCCn1nc(C)c(CN2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)c1C ZINC000245781248 402487908 /nfs/dbraw/zinc/48/79/08/402487908.db2.gz UHHJMFYPAGPBQK-PBHICJAKSA-N 1 0 322.497 2.187 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245793829 402488289 /nfs/dbraw/zinc/48/82/89/402488289.db2.gz DPTSQMFSZHHHBW-ZMSDIMECSA-N 1 0 303.450 2.278 10 0 DEAERO CC[C@@H]1CN(Cc2ccc(COC)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245801714 402489057 /nfs/dbraw/zinc/48/90/57/402489057.db2.gz XWMJDVBCBAHSRB-MAUKXSAKSA-N 1 0 306.450 2.110 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3cnn(C)c3)C2)C12CCC2 ZINC000245861158 402492016 /nfs/dbraw/zinc/49/20/16/402492016.db2.gz HVOANNNDUKXKHB-USXIJHARSA-N 1 0 318.465 2.326 10 0 DEAERO C[C@H](NC(=O)NCCCc1ccccn1)C(C)(C)C[NH+](C)C ZINC000178401607 402494274 /nfs/dbraw/zinc/49/42/74/402494274.db2.gz NEGXEBZWMGFUHF-AWEZNQCLSA-N 1 0 306.454 2.290 10 0 DEAERO CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CCO1 ZINC000245901366 402495514 /nfs/dbraw/zinc/49/55/14/402495514.db2.gz DQZBXTCPJBKQEW-XHSDSOJGSA-N 1 0 311.470 2.316 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCc2ccccn2)C1 ZINC000178413349 402495853 /nfs/dbraw/zinc/49/58/53/402495853.db2.gz NRTKAPFCFHLDFY-MRXNPFEDSA-N 1 0 304.438 2.140 10 0 DEAERO C[C@H](O)[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000168364997 402495896 /nfs/dbraw/zinc/49/58/96/402495896.db2.gz NZRDLDRNHHLKGT-MELADBBJSA-N 1 0 308.447 2.114 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000168472257 402496534 /nfs/dbraw/zinc/49/65/34/402496534.db2.gz RJRPOMOWASRLQN-AWEZNQCLSA-N 1 0 307.312 2.304 10 0 DEAERO CCc1nc(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cs1 ZINC000168440900 402496709 /nfs/dbraw/zinc/49/67/09/402496709.db2.gz IKZJQLWVAYZULS-AWEZNQCLSA-N 1 0 301.415 2.036 10 0 DEAERO CCOC(=O)[C@H](Cc1ccccc1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000187406315 402499097 /nfs/dbraw/zinc/49/90/97/402499097.db2.gz PSGIMLDIQOZFRR-RYQLBKOJSA-N 1 0 318.461 2.479 10 0 DEAERO C[C@H]1CN(C(=O)NCCC2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000187446444 402501263 /nfs/dbraw/zinc/50/12/63/402501263.db2.gz DKIRIKKKOXTOJM-AWEZNQCLSA-N 1 0 311.470 2.053 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)NCCC2=CCCCC2)C1 ZINC000187968078 402514099 /nfs/dbraw/zinc/51/40/99/402514099.db2.gz UXQKZTYOLMOLQO-YJBOKZPZSA-N 1 0 308.466 2.476 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246012802 402503472 /nfs/dbraw/zinc/50/34/72/402503472.db2.gz KYFGSLWHQRDITR-BZUAXINKSA-N 1 0 324.513 2.088 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cccc(O)c2)C1 ZINC000246039093 402504620 /nfs/dbraw/zinc/50/46/20/402504620.db2.gz WXVQFADPURBHIX-GOEBONIOSA-N 1 0 303.406 2.018 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC000187621681 402506676 /nfs/dbraw/zinc/50/66/76/402506676.db2.gz ZUXHJLAULCCRDL-ARFHVFGLSA-N 1 0 311.470 2.173 10 0 DEAERO C[C@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1CCO ZINC000187700185 402508389 /nfs/dbraw/zinc/50/83/89/402508389.db2.gz ZVRCOCVSLLUAQA-LBPRGKRZSA-N 1 0 318.339 2.084 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246710181 402541679 /nfs/dbraw/zinc/54/16/79/402541679.db2.gz NSDSHQXQJSRTBK-OWCLPIDISA-N 1 0 309.454 2.071 10 0 DEAERO CC(C)c1ccc(CN(C)C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000170924763 402542011 /nfs/dbraw/zinc/54/20/11/402542011.db2.gz IGTGNBCCWJAVRQ-QGZVFWFLSA-N 1 0 319.449 2.282 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC=CCC2)C[C@@H]1CC ZINC000246799448 402544785 /nfs/dbraw/zinc/54/47/85/402544785.db2.gz QTTKKZNTJVWOEO-CVEARBPZSA-N 1 0 309.454 2.237 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccccc1F ZINC000246823938 402545995 /nfs/dbraw/zinc/54/59/95/402545995.db2.gz COVOWFJWBNMXKH-KGLIPLIRSA-N 1 0 305.397 2.323 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NCc2nccs2)[C@@H]1c1ccccc1 ZINC000179128879 402574777 /nfs/dbraw/zinc/57/47/77/402574777.db2.gz UQHKUCRQWVHTPA-HIFRSBDPSA-N 1 0 316.430 2.388 10 0 DEAERO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000178901246 402552509 /nfs/dbraw/zinc/55/25/09/402552509.db2.gz PZMRVQBSKHCFLP-NPSSGITNSA-N 1 0 324.421 2.341 10 0 DEAERO Cc1ccc(CCCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)s1 ZINC000247069452 402555560 /nfs/dbraw/zinc/55/55/60/402555560.db2.gz PRGZUZFKQJIOQB-KGLIPLIRSA-N 1 0 324.490 2.293 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)NCCCc2ccccn2)C1 ZINC000178927830 402556186 /nfs/dbraw/zinc/55/61/86/402556186.db2.gz GWLHMYBSEJGLIP-OAHLLOKOSA-N 1 0 304.438 2.045 10 0 DEAERO CCOc1ccccc1OCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000247708282 402575148 /nfs/dbraw/zinc/57/51/48/402575148.db2.gz ZMQKLQVRFSNWED-KGLIPLIRSA-N 1 0 306.406 2.050 10 0 DEAERO CC(=O)Nc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000247303308 402563279 /nfs/dbraw/zinc/56/32/79/402563279.db2.gz ZTVZDINJEXGOBA-HZPDHXFCSA-N 1 0 306.431 2.351 10 0 DEAERO Cc1ccc(C[C@H](C)[N@H+](C)C[C@@H](O)COC[C@@H]2CCCO2)cc1 ZINC000247340564 402564829 /nfs/dbraw/zinc/56/48/29/402564829.db2.gz KELJTUFEMOEOBL-UHOSZYNNSA-N 1 0 321.461 2.414 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)C1 ZINC000247366502 402565111 /nfs/dbraw/zinc/56/51/11/402565111.db2.gz OWIRHZDBLYOESL-RMRKRWHISA-N 1 0 302.418 2.396 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)NC2CC[NH2+]CC2)cc1 ZINC000262522276 292235184 /nfs/dbraw/zinc/23/51/84/292235184.db2.gz XWFVVBLLRAMXET-SJORKVTESA-N 1 0 302.418 2.331 10 0 DEAERO O=C1[C@@H](N2CC[N@@H+]3CCC[C@H]3C2)CCN1c1ccccc1Cl ZINC000247484537 402568657 /nfs/dbraw/zinc/56/86/57/402568657.db2.gz GBTWDLDCAIEKIH-BBRMVZONSA-N 1 0 319.836 2.225 10 0 DEAERO Cc1c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cnn1-c1ccccc1 ZINC000247482289 402568817 /nfs/dbraw/zinc/56/88/17/402568817.db2.gz SUECECRERBXQJL-PBHICJAKSA-N 1 0 324.428 2.489 10 0 DEAERO Cc1ncc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C(C)C)n1 ZINC000247565102 402572484 /nfs/dbraw/zinc/57/24/84/402572484.db2.gz ZXEJPKATRHPJLS-JSGCOSHPSA-N 1 0 304.438 2.463 10 0 DEAERO CCc1nnc(CN(Cc2ccccc2)C[C@@H](O)CC)n1C ZINC000179101389 402572564 /nfs/dbraw/zinc/57/25/64/402572564.db2.gz AMHXDOSVEBMOQN-HNNXBMFYSA-N 1 0 302.422 2.151 10 0 DEAERO CSC[C@H](O)C[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000188114357 402515726 /nfs/dbraw/zinc/51/57/26/402515726.db2.gz HFWPEDJHHCZQSN-XJKSGUPXSA-N 1 0 312.454 2.228 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCc2c[nH]nc2C)[C@@H](C)C1 ZINC000246212131 402518506 /nfs/dbraw/zinc/51/85/06/402518506.db2.gz ANPBPHMCPOKDRK-BBRMVZONSA-N 1 0 321.469 2.022 10 0 DEAERO C[NH+](C)Cc1ccnc(NC(=O)c2cn3ccnc3s2)c1 ZINC000188613274 402521771 /nfs/dbraw/zinc/52/17/71/402521771.db2.gz XOEGYDQMBYAOCG-UHFFFAOYSA-N 1 0 301.375 2.105 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000170826385 402529758 /nfs/dbraw/zinc/52/97/58/402529758.db2.gz NTGWMGQYPXSUQX-LBPRGKRZSA-N 1 0 313.348 2.134 10 0 DEAERO CCN(CCCNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170826874 402529779 /nfs/dbraw/zinc/52/97/79/402529779.db2.gz MIVVACKLZGCYHZ-KRWDZBQOSA-N 1 0 318.465 2.249 10 0 DEAERO Cc1csc(CCCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000170836885 402531460 /nfs/dbraw/zinc/53/14/60/402531460.db2.gz JVKPFQFMRSDVEE-CYBMUJFWSA-N 1 0 310.467 2.120 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000170856724 402533656 /nfs/dbraw/zinc/53/36/56/402533656.db2.gz KSNYGXCCXYVWCQ-OAHLLOKOSA-N 1 0 313.401 2.437 10 0 DEAERO CCOc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OCC ZINC000170863309 402534391 /nfs/dbraw/zinc/53/43/91/402534391.db2.gz DFVLWQTVTYSVGB-CQSZACIVSA-N 1 0 306.406 2.260 10 0 DEAERO Cc1ccc(-c2nc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cs2)o1 ZINC000170866391 402534957 /nfs/dbraw/zinc/53/49/57/402534957.db2.gz MINPCFRHPCSNAE-LLVKDONJSA-N 1 0 305.403 2.488 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000246522752 402535283 /nfs/dbraw/zinc/53/52/83/402535283.db2.gz VANRCMDQGHKDBD-DLBZAZTESA-N 1 0 324.513 2.090 10 0 DEAERO CCOC(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170874832 402536199 /nfs/dbraw/zinc/53/61/99/402536199.db2.gz RBNRZSHVDPXBSU-CQSZACIVSA-N 1 0 305.378 2.031 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000246640055 402539079 /nfs/dbraw/zinc/53/90/79/402539079.db2.gz YKAYREXSUGIHKC-HHARLNAUSA-N 1 0 321.465 2.212 10 0 DEAERO C[C@H](CNC(=O)N1CC[C@H]2OCCC[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246695432 402540895 /nfs/dbraw/zinc/54/08/95/402540895.db2.gz NBDQDRDSMDRZEY-WCXIOVBPSA-N 1 0 323.481 2.317 10 0 DEAERO Cc1cccc2[nH]cc(CCNC(=O)NC[C@H]3CCC[N@H+]3C)c21 ZINC000171356329 402580332 /nfs/dbraw/zinc/58/03/32/402580332.db2.gz HRJXWUZUMNMUQL-OAHLLOKOSA-N 1 0 314.433 2.412 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000171425941 402586480 /nfs/dbraw/zinc/58/64/80/402586480.db2.gz ZRGMYMQBYJOAIW-UONOGXRCSA-N 1 0 307.438 2.269 10 0 DEAERO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)COC)c(C)c2)CC1 ZINC000171429162 402586570 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COC(=O)c1coc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000183395015 402763083 /nfs/dbraw/zinc/76/30/83/402763083.db2.gz ODTQAHYPCCWIEP-STQMWFEESA-N 1 0 322.405 2.164 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2c(C3CC3)nc3sccn23)CCO1 ZINC000183399239 402763195 /nfs/dbraw/zinc/76/31/95/402763195.db2.gz AQUYQGPCNSPNNT-ZDUSSCGKSA-N 1 0 320.462 2.036 10 0 DEAERO Cc1cc(C)cc([C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C2)c1 ZINC000183467077 402769568 /nfs/dbraw/zinc/76/95/68/402769568.db2.gz BTUOGPJMLYLBSH-HNNXBMFYSA-N 1 0 315.417 2.035 10 0 DEAERO Cc1cc(COCC(=O)N(CC[NH+](C)C)c2ccccc2)on1 ZINC000193526363 402771973 /nfs/dbraw/zinc/77/19/73/402771973.db2.gz QPVSCVQJTJAILB-UHFFFAOYSA-N 1 0 317.389 2.094 10 0 DEAERO COc1cccc(CNC(=O)c2c[nH+]ccc2N(C)C)c1OC ZINC000183502923 402772524 /nfs/dbraw/zinc/77/25/24/402772524.db2.gz KYJJPMRPSJTSPO-UHFFFAOYSA-N 1 0 315.373 2.095 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccccc1O ZINC000175044185 402774402 /nfs/dbraw/zinc/77/44/02/402774402.db2.gz SDEFSFAYTNUZRK-JKSUJKDBSA-N 1 0 302.418 2.410 10 0 DEAERO Cc1nc(C(F)(F)F)c(CN2CCO[C@H](C[NH+](C)C)C2)s1 ZINC000183582068 402778269 /nfs/dbraw/zinc/77/82/69/402778269.db2.gz YSPNIYBJRBHBKX-SNVBAGLBSA-N 1 0 323.384 2.233 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC(C)(C)OC2(C)C)CC[N@@H+]1C ZINC000183588278 402778947 /nfs/dbraw/zinc/77/89/47/402778947.db2.gz AMLUKMCYSFVIIJ-MGPQQGTHSA-N 1 0 311.470 2.457 10 0 DEAERO C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)Oc1ccccc1F ZINC000183590011 402779725 /nfs/dbraw/zinc/77/97/25/402779725.db2.gz GZSMDRPSXBDCKE-GFCCVEGCSA-N 1 0 317.364 2.484 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000175224578 402789253 /nfs/dbraw/zinc/78/92/53/402789253.db2.gz INNWAXYALNGIMS-OAHLLOKOSA-N 1 0 318.808 2.240 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCOc2cccc(C)c2)C1 ZINC000194311467 402791712 /nfs/dbraw/zinc/79/17/12/402791712.db2.gz XYLSHMNVNDZUQK-OAHLLOKOSA-N 1 0 305.422 2.157 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000194354760 402793345 /nfs/dbraw/zinc/79/33/45/402793345.db2.gz XRXYUFVWDDFEMB-PBHICJAKSA-N 1 0 322.424 2.389 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(Cl)c1 ZINC000175398129 402802964 /nfs/dbraw/zinc/80/29/64/402802964.db2.gz BHUOVWWYUJXCIM-CYBMUJFWSA-N 1 0 316.854 2.445 10 0 DEAERO Cc1cc(C)c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000175420707 402805200 /nfs/dbraw/zinc/80/52/00/402805200.db2.gz XQHZAHKZKNOZOR-CYBMUJFWSA-N 1 0 308.422 2.061 10 0 DEAERO COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CN(C)CCO3)oc21 ZINC000175424480 402805979 /nfs/dbraw/zinc/80/59/79/402805979.db2.gz BXRBPTORODVYKP-GXTWGEPZSA-N 1 0 304.390 2.423 10 0 DEAERO CC(=O)c1ccc(OCCCC(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000194711138 402811696 /nfs/dbraw/zinc/81/16/96/402811696.db2.gz JPBYYNWXMUISOF-INIZCTEOSA-N 1 0 318.417 2.259 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000175925587 402843130 /nfs/dbraw/zinc/84/31/30/402843130.db2.gz KDMCBYZXHDYMLM-ZNMIVQPWSA-N 1 0 306.454 2.417 10 0 DEAERO C[C@H]1COCC[C@H]1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000194818235 402816977 /nfs/dbraw/zinc/81/69/77/402816977.db2.gz WCUVZSMNTBZSOF-WMLDXEAASA-N 1 0 317.433 2.087 10 0 DEAERO CSCCCC(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000175931086 402843738 /nfs/dbraw/zinc/84/37/38/402843738.db2.gz CRYPBRMPSNVTAT-AWEZNQCLSA-N 1 0 314.495 2.279 10 0 DEAERO Cc1noc2nc(C)cc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c12 ZINC000195073242 402829803 /nfs/dbraw/zinc/82/98/03/402829803.db2.gz NIMCMVZDBTZFED-ZDUSSCGKSA-N 1 0 314.389 2.150 10 0 DEAERO CCCCCS(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000184245322 402830364 /nfs/dbraw/zinc/83/03/64/402830364.db2.gz SARANZTWSAHSIR-INIZCTEOSA-N 1 0 312.479 2.269 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2C[S@](C)=O)C1 ZINC000184254264 402830887 /nfs/dbraw/zinc/83/08/87/402830887.db2.gz SQSATYMQWTZJST-PEBXRYMYSA-N 1 0 323.462 2.171 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)NCC(C)(C)C[NH+](C)C)s1 ZINC000175791971 402832894 /nfs/dbraw/zinc/83/28/94/402832894.db2.gz OWGXTLJBKKKFFR-LLVKDONJSA-N 1 0 313.467 2.477 10 0 DEAERO Cc1oc(-c2ccco2)nc1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195190451 402835910 /nfs/dbraw/zinc/83/59/10/402835910.db2.gz MLAMCUQZSYGBHH-CYBMUJFWSA-N 1 0 315.373 2.092 10 0 DEAERO CC(C)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccnc1 ZINC000175897794 402841135 /nfs/dbraw/zinc/84/11/35/402841135.db2.gz MYPWHGKTWLTAAT-JKSUJKDBSA-N 1 0 304.438 2.167 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Br)cs1 ZINC000194091887 402783900 /nfs/dbraw/zinc/78/39/00/402783900.db2.gz LPPYRBFTWYWLNW-ONGXEEELSA-N 1 0 319.268 2.492 10 0 DEAERO CC(=O)c1ccccc1OCC[NH+]1CCC(n2cncn2)CC1 ZINC000195317648 402841711 /nfs/dbraw/zinc/84/17/11/402841711.db2.gz UEUJNANUOAQLSF-UHFFFAOYSA-N 1 0 314.389 2.197 10 0 DEAERO CNC(=O)[C@H]([NH2+]Cc1ccc(C(=O)OC(C)C)cc1)C(C)C ZINC000183675093 402787520 /nfs/dbraw/zinc/78/75/20/402787520.db2.gz CSKRBBRDAVFDQE-OAHLLOKOSA-N 1 0 306.406 2.112 10 0 DEAERO CCOc1ccc(C(C)=O)cc1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000194222738 402787937 /nfs/dbraw/zinc/78/79/37/402787937.db2.gz BRZXQONZOMBOKL-SWLSCSKDSA-N 1 0 318.417 2.374 10 0 DEAERO Cc1cccnc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000194245138 402788538 /nfs/dbraw/zinc/78/85/38/402788538.db2.gz LHXNFPIMKJDUIP-CQSZACIVSA-N 1 0 318.421 2.107 10 0 DEAERO CN(C)c1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000184495275 402846784 /nfs/dbraw/zinc/84/67/84/402846784.db2.gz DPIYGDYOLLKKDV-AWEZNQCLSA-N 1 0 317.437 2.240 10 0 DEAERO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000184490324 402846990 /nfs/dbraw/zinc/84/69/90/402846990.db2.gz BUXJLEMLXRAIKB-KBPBESRZSA-N 1 0 304.438 2.410 10 0 DEAERO CC(C)C[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000184526910 402849209 /nfs/dbraw/zinc/84/92/09/402849209.db2.gz RGGCHDWWNAKODC-HNNXBMFYSA-N 1 0 318.465 2.132 10 0 DEAERO c1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@H](C4OCCO4)C3)C2)cc1 ZINC000271364021 402862623 /nfs/dbraw/zinc/86/26/23/402862623.db2.gz NXNFJHKYGQEKBY-ZWKOTPCHSA-N 1 0 316.445 2.346 10 0 DEAERO Brc1cccnc1NCCCC[NH+]1CCOCC1 ZINC000264408166 402875757 /nfs/dbraw/zinc/87/57/57/402875757.db2.gz KVYBZLTUEUFURK-UHFFFAOYSA-N 1 0 314.227 2.368 10 0 DEAERO Cc1ccc([C@H](C[NH2+][C@@H]2CCOC[C@H]2C)N2CCOCC2)s1 ZINC000249110042 292255661 /nfs/dbraw/zinc/25/56/61/292255661.db2.gz QSIAQCIKYIYLTP-BMFZPTHFSA-N 1 0 324.490 2.444 10 0 DEAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cnn(C(C)(C)C)c2)cn1 ZINC000275563575 403106087 /nfs/dbraw/zinc/10/60/87/403106087.db2.gz OACGBMVZOPTFLG-JKSUJKDBSA-N 1 0 317.437 2.382 10 0 DEAERO O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275574625 403106812 /nfs/dbraw/zinc/10/68/12/403106812.db2.gz OPBMSFWPSLHFSW-CYBMUJFWSA-N 1 0 308.385 2.489 10 0 DEAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000275625053 403110202 /nfs/dbraw/zinc/11/02/02/403110202.db2.gz RVRZLERAKMFGEQ-XJKSGUPXSA-N 1 0 315.373 2.016 10 0 DEAERO c1c(C[NH2+]C[C@@H]2CSc3ccccc3O2)nc2ncccn12 ZINC000566678548 292261022 /nfs/dbraw/zinc/26/10/22/292261022.db2.gz FNPOJMAPLWBYMG-CYBMUJFWSA-N 1 0 312.398 2.372 10 0 DEAERO c1ccc(Cn2nnnc2SCC[NH+]2CCCCC2)cc1 ZINC000269728625 403161453 /nfs/dbraw/zinc/16/14/53/403161453.db2.gz WYLNQLMEQLPUSI-UHFFFAOYSA-N 1 0 303.435 2.299 10 0 DEAERO COCC[C@@H](CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000282265098 403137934 /nfs/dbraw/zinc/13/79/34/403137934.db2.gz PNIJVMQSEIIJNY-JTQLQIEISA-N 1 0 306.175 2.075 10 0 DEAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1cccc(I)c1 ZINC000283794118 403223874 /nfs/dbraw/zinc/22/38/74/403223874.db2.gz APXWTCORPHKCSZ-UWVGGRQHSA-N 1 0 319.186 2.398 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)C[C@](C)(O)C2CC2)[C@@H]1c1ccccc1 ZINC000270399069 403187686 /nfs/dbraw/zinc/18/76/86/403187686.db2.gz CFFKAODSTQHPEO-SZMVWBNQSA-N 1 0 302.418 2.099 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)cc1 ZINC000277890520 403268283 /nfs/dbraw/zinc/26/82/83/403268283.db2.gz OMXNVHMATHCWJD-MKBNYLNASA-N 1 0 304.390 2.231 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)c1C ZINC000277963941 403275237 /nfs/dbraw/zinc/27/52/37/403275237.db2.gz SFLXYWJATIITPU-LJWDBELGSA-N 1 0 306.406 2.420 10 0 DEAERO CC(C)(C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O ZINC000285774562 403377144 /nfs/dbraw/zinc/37/71/44/403377144.db2.gz WJMTZKHUGREKIP-HUUCEWRRSA-N 1 0 301.390 2.203 10 0 DEAERO CC[C@H](NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1c(C)noc1C ZINC000332842165 403624106 /nfs/dbraw/zinc/62/41/06/403624106.db2.gz NXZSWSCVANQGGU-ILXRZTDVSA-N 1 0 320.437 2.478 10 0 DEAERO O=C(N[C@H]1CCOC2(CCC2)C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000332997715 403647242 /nfs/dbraw/zinc/64/72/42/403647242.db2.gz HKZLFYHJFINPNP-LSDHHAIUSA-N 1 0 318.421 2.159 10 0 DEAERO C[N@@H+]1CCO[C@@H]2CN(c3ccnc4ccc(Cl)cc43)C[C@H]21 ZINC000301628863 403656240 /nfs/dbraw/zinc/65/62/40/403656240.db2.gz BUFOYLRWCHLRBA-HZPDHXFCSA-N 1 0 303.793 2.407 10 0 DEAERO O=C(Nc1cccc(N2CCCC2=O)c1)N[C@H]1CCCC[NH2+]C1 ZINC000333157377 403681105 /nfs/dbraw/zinc/68/11/05/403681105.db2.gz LJOUEQRGUUZHNQ-AWEZNQCLSA-N 1 0 316.405 2.077 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000333159147 403681460 /nfs/dbraw/zinc/68/14/60/403681460.db2.gz GFSOMOFBYSPIOB-QLFBSQMISA-N 1 0 309.454 2.166 10 0 DEAERO O=C(Nc1nc(C(F)(F)F)cs1)N[C@H]1CCCC[NH2+]C1 ZINC000333201653 403692697 /nfs/dbraw/zinc/69/26/97/403692697.db2.gz XYUBZMUQSUMCNJ-ZETCQYMHSA-N 1 0 308.329 2.426 10 0 DEAERO c1ccc([C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@@H]2CCOC2)cc1 ZINC000343582448 403649323 /nfs/dbraw/zinc/64/93/23/403649323.db2.gz PIEAJWPZBNMVRX-YRXWBPOGSA-N 1 0 316.445 2.217 10 0 DEAERO O=C(C[N@@H+](CCO)C1CCCCC1)Nc1nc2c(s1)CCC2 ZINC000304226680 403770261 /nfs/dbraw/zinc/77/02/61/403770261.db2.gz GTVZSTONSZPUCV-UHFFFAOYSA-N 1 0 323.462 2.197 10 0 DEAERO C[C@@H](c1nnnn1C1CCCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000333269914 403712153 /nfs/dbraw/zinc/71/21/53/403712153.db2.gz KGHNCMFOOWURLM-ZDUSSCGKSA-N 1 0 304.442 2.067 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)c2ccccc21 ZINC000333454504 403755197 /nfs/dbraw/zinc/75/51/97/403755197.db2.gz YAWPGRLLVHBUCB-BBRMVZONSA-N 1 0 315.417 2.009 10 0 DEAERO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)NCc1ccccc1 ZINC000303678952 403756287 /nfs/dbraw/zinc/75/62/87/403756287.db2.gz RGZFSBJEOYKMJH-KSZLIROESA-N 1 0 316.445 2.318 10 0 DEAERO Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333674046 403811090 /nfs/dbraw/zinc/81/10/90/403811090.db2.gz DCDPXZOQNOOILQ-GXTWGEPZSA-N 1 0 303.797 2.309 10 0 DEAERO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3CCCN(c4cccnn4)C3)C[C@H]2C1 ZINC000333567497 403782118 /nfs/dbraw/zinc/78/21/18/403782118.db2.gz LZCLWMJPFZRMHK-DMRKSPOLSA-N 1 0 316.449 2.239 10 0 DEAERO CC1(C)C[C@H](O)CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000295192340 403790413 /nfs/dbraw/zinc/79/04/13/403790413.db2.gz ASVIUYQPGXOXON-IAGOWNOFSA-N 1 0 307.434 2.047 10 0 DEAERO CC(=O)[C@](C)(O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000347751907 403844396 /nfs/dbraw/zinc/84/43/96/403844396.db2.gz QRSOQFMQHFSUJY-LLVKDONJSA-N 1 0 306.225 2.282 10 0 DEAERO COCCC1(CNC(=O)N2CCC3(CC[NH2+]3)CC2)CCCC1 ZINC000333807891 403868382 /nfs/dbraw/zinc/86/83/82/403868382.db2.gz ITUJNGBFXBKPDD-UHFFFAOYSA-N 1 0 309.454 2.121 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC(c2ccc(O)cc2)CC1 ZINC000333856368 403886115 /nfs/dbraw/zinc/88/61/15/403886115.db2.gz RACKDNREKRWTLH-MRXNPFEDSA-N 1 0 317.433 2.423 10 0 DEAERO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000361829850 403892088 /nfs/dbraw/zinc/89/20/88/403892088.db2.gz IVTMKEDLEGTDIG-KRWDZBQOSA-N 1 0 317.458 2.481 10 0 DEAERO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)CCCO)cc1 ZINC000369074310 403957909 /nfs/dbraw/zinc/95/79/09/403957909.db2.gz FSJJVRAPEBBWEV-QGZVFWFLSA-N 1 0 320.433 2.063 10 0 DEAERO Cc1c(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)[nH]c2c1C(=O)CCC2 ZINC000337156983 403969712 /nfs/dbraw/zinc/96/97/12/403969712.db2.gz PXYAKXSLBCMMEP-NEPJUHHUSA-N 1 0 303.406 2.055 10 0 DEAERO C[C@@H]1[C@H](O)CCCN1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000296102298 404094346 /nfs/dbraw/zinc/09/43/46/404094346.db2.gz HXINWIWAXKEROH-NOZJJQNGSA-N 1 0 300.761 2.263 10 0 DEAERO COCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CCCC1 ZINC000261934832 292307494 /nfs/dbraw/zinc/30/74/94/292307494.db2.gz MDAZRTDAYKCUSB-BRWVUGGUSA-N 1 0 310.482 2.330 10 0 DEAERO C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296356840 404211559 /nfs/dbraw/zinc/21/15/59/404211559.db2.gz FMUYKBOZOMTCMY-VSOYFRJCSA-N 1 0 320.408 2.192 10 0 DEAERO Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2nnc3ccccn32)C1 ZINC000363923428 404252879 /nfs/dbraw/zinc/25/28/79/404252879.db2.gz GUKAJKACEGJKLP-KBPBESRZSA-N 1 0 310.405 2.279 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCC(C)(C)[NH+](C)C)CC2 ZINC000370153384 404351585 /nfs/dbraw/zinc/35/15/85/404351585.db2.gz YTYJDBUGXYEMON-GFCCVEGCSA-N 1 0 306.454 2.094 10 0 DEAERO CC(C)N1CC[C@@H]([NH+]2CCC(COc3ccccn3)CC2)C1=O ZINC000370167465 404357582 /nfs/dbraw/zinc/35/75/82/404357582.db2.gz PARAHVQTHZEGEA-MRXNPFEDSA-N 1 0 317.433 2.182 10 0 DEAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000341999100 404306118 /nfs/dbraw/zinc/30/61/18/404306118.db2.gz WXKNSBZPJMLLAU-GUYCJALGSA-N 1 0 321.417 2.034 10 0 DEAERO CO[C@H](C)c1nsc(NCC[N@H+](C)Cc2ccccc2)n1 ZINC000337913793 404307780 /nfs/dbraw/zinc/30/77/80/404307780.db2.gz LVWJYAUALJGHAJ-GFCCVEGCSA-N 1 0 306.435 2.211 10 0 DEAERO COc1cc(C)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000364077047 404309613 /nfs/dbraw/zinc/30/96/13/404309613.db2.gz NPIGPFBFMMDGNP-UONOGXRCSA-N 1 0 318.417 2.369 10 0 DEAERO C[C@]12CCCN1C[C@H](c1noc(CC[C@H]3CCCCO3)n1)OC2 ZINC000329590337 404385353 /nfs/dbraw/zinc/38/53/53/404385353.db2.gz NOJNBEYRMOCPFG-CKEIUWERSA-N 1 0 321.421 2.497 10 0 DEAERO c1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c2c(c1)OCCCO2 ZINC000356293993 404429831 /nfs/dbraw/zinc/42/98/31/404429831.db2.gz XZXZNKNXAMCRER-YJBOKZPZSA-N 1 0 319.401 2.276 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000415261281 404836075 /nfs/dbraw/zinc/83/60/75/404836075.db2.gz GNNCHQMUCLHDFQ-WBMJQRKESA-N 1 0 318.421 2.403 10 0 DEAERO Cc1nccc(C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)n1 ZINC000366447023 404792838 /nfs/dbraw/zinc/79/28/38/404792838.db2.gz BSGHNLDRDPCMAR-AWEZNQCLSA-N 1 0 300.410 2.337 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](CCc2ccc(C)cc2)CC12COC2 ZINC000451143007 404879611 /nfs/dbraw/zinc/87/96/11/404879611.db2.gz WTISJXNYGGDKTG-MRXNPFEDSA-N 1 0 303.402 2.049 10 0 DEAERO c1cc(-c2ccc(C[NH2+][C@H]3CCO[C@@]4(CCOC4)C3)o2)n[nH]1 ZINC000366822978 404853488 /nfs/dbraw/zinc/85/34/88/404853488.db2.gz HBSSDFSOSBMNRS-LRDDRELGSA-N 1 0 303.362 2.097 10 0 DEAERO CON(C)C(=O)CC[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000366843917 404856740 /nfs/dbraw/zinc/85/67/40/404856740.db2.gz HPPIHHRNRWRZMB-UHFFFAOYSA-N 1 0 317.389 2.417 10 0 DEAERO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CCC(=O)NC2)cc1 ZINC000360952660 404860413 /nfs/dbraw/zinc/86/04/13/404860413.db2.gz ASDPTTGCHFDPNY-AWEZNQCLSA-N 1 0 304.390 2.010 10 0 DEAERO C(CN1C[C@H]2CC[C@@H](C1)O2)[NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000451232543 404912607 /nfs/dbraw/zinc/91/26/07/404912607.db2.gz YKPHPHRVCBQJCO-SFFUCWETSA-N 1 0 308.466 2.035 10 0 DEAERO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000434830960 404938395 /nfs/dbraw/zinc/93/83/95/404938395.db2.gz LSFYAEWBGDZKBA-GFCCVEGCSA-N 1 0 303.362 2.445 10 0 DEAERO CCN(C)C(=O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000361141035 404940376 /nfs/dbraw/zinc/94/03/76/404940376.db2.gz MCCDLZMYRZJJOI-UHFFFAOYSA-N 1 0 306.406 2.210 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cnn2ccccc12 ZINC000378373561 404945924 /nfs/dbraw/zinc/94/59/24/404945924.db2.gz TZVFHFNUIOITCF-KBAYOESNSA-N 1 0 314.433 2.018 10 0 DEAERO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccsc2Br)C1 ZINC000388999701 405036952 /nfs/dbraw/zinc/03/69/52/405036952.db2.gz OSBJWPILBKGZGY-LBPRGKRZSA-N 1 0 317.252 2.469 10 0 DEAERO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccnc(C)n2)cc1 ZINC000361330387 405026112 /nfs/dbraw/zinc/02/61/12/405026112.db2.gz IBTJDVFAIWSGAH-GFCCVEGCSA-N 1 0 315.373 2.188 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC23CCC3)[C@H](C)C1 ZINC000435572258 404990321 /nfs/dbraw/zinc/99/03/21/404990321.db2.gz DEHSPNKCKIAUCJ-CVEARBPZSA-N 1 0 323.481 2.461 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)N1CCC12CCC2)Cc1ccccc1 ZINC000435580041 404991242 /nfs/dbraw/zinc/99/12/42/404991242.db2.gz OKBIVWQHYUINOD-MRXNPFEDSA-N 1 0 301.434 2.497 10 0 DEAERO OCCN1CCC[C@@H]([NH2+]Cc2ccsc2Br)C1 ZINC000388981928 405036162 /nfs/dbraw/zinc/03/61/62/405036162.db2.gz PMYKQBDMSQRSLL-LLVKDONJSA-N 1 0 319.268 2.057 10 0 DEAERO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@](C)(O)C1 ZINC000408051778 405097995 /nfs/dbraw/zinc/09/79/95/405097995.db2.gz LRJVYQYHUBKSRQ-WBVHZDCISA-N 1 0 311.470 2.053 10 0 DEAERO CCO[C@@H](C)c1ncc(C(=O)NC[C@H]2CC[N@H+](CC)C2)s1 ZINC000361366082 405040403 /nfs/dbraw/zinc/04/04/03/405040403.db2.gz OJWSOQQZWAVKHX-NWDGAFQWSA-N 1 0 311.451 2.312 10 0 DEAERO Cc1cc(-c2nnc(CN3C[C@H](C)[N@@H+](C)C[C@H]3C)o2)c(C)o1 ZINC000408074990 405106302 /nfs/dbraw/zinc/10/63/02/405106302.db2.gz YBCLTKBOMLXNMM-WDEREUQCSA-N 1 0 304.394 2.471 10 0 DEAERO C[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@H]1O ZINC000408094538 405110248 /nfs/dbraw/zinc/11/02/48/405110248.db2.gz ZLFZEQABTKAVDA-LSDHHAIUSA-N 1 0 311.470 2.053 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)o1 ZINC000408096745 405111321 /nfs/dbraw/zinc/11/13/21/405111321.db2.gz GBLSSRXSADWYSU-UHFFFAOYSA-N 1 0 312.435 2.227 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000408097809 405111629 /nfs/dbraw/zinc/11/16/29/405111629.db2.gz NVMTVGLBXWKDHL-CQSZACIVSA-N 1 0 312.435 2.085 10 0 DEAERO CC(=O)Nc1ccc(F)c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000408135263 405119557 /nfs/dbraw/zinc/11/95/57/405119557.db2.gz XCWZVDZMWURKFN-ZDUSSCGKSA-N 1 0 320.368 2.096 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000408296963 405165416 /nfs/dbraw/zinc/16/54/16/405165416.db2.gz FBPHBXOCUJOMBQ-UZRORNOBSA-N 1 0 321.446 2.124 10 0 DEAERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)[C@@](C)(O)C(C)C)C1)CCCC2 ZINC000408387054 405194092 /nfs/dbraw/zinc/19/40/92/405194092.db2.gz VYCZOLKXXLFCNC-KSSFIOAISA-N 1 0 319.449 2.251 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000408407143 405198016 /nfs/dbraw/zinc/19/80/16/405198016.db2.gz KESKFMUPRVCSMU-CYBMUJFWSA-N 1 0 318.417 2.272 10 0 DEAERO C[C@@H]1CCCN(C(=O)C[NH2+][C@]2(CO)C[C@@H](C)CC(C)(C)C2)C1 ZINC000408423497 405203486 /nfs/dbraw/zinc/20/34/86/405203486.db2.gz PESMDPSCTNQYMY-RVKKMQEKSA-N 1 0 310.482 2.412 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000439042170 405263541 /nfs/dbraw/zinc/26/35/41/405263541.db2.gz JUAHLCKECSCABA-HIFRSBDPSA-N 1 0 317.339 2.114 10 0 DEAERO Cc1ccsc1CCCC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000439053835 405264493 /nfs/dbraw/zinc/26/44/93/405264493.db2.gz HVGCTWIVVFAAON-UHFFFAOYSA-N 1 0 323.506 2.085 10 0 DEAERO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425414985 405287078 /nfs/dbraw/zinc/28/70/78/405287078.db2.gz DVIVKHKFTQEZKE-KRWDZBQOSA-N 1 0 324.428 2.444 10 0 DEAERO C[N@H+](CC[C@H]1CCOC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000438118804 405233323 /nfs/dbraw/zinc/23/33/23/405233323.db2.gz YBOWCKZCUXYVHL-BBRMVZONSA-N 1 0 306.381 2.289 10 0 DEAERO COC1([C@H](C)[NH2+][C@@H](CO)Cc2ccc(C)cc2)CCOCC1 ZINC000453212898 405288934 /nfs/dbraw/zinc/28/89/34/405288934.db2.gz GIUJRJOMSQXSID-DOTOQJQBSA-N 1 0 307.434 2.072 10 0 DEAERO O=C(C[NH2+]C1(CCO)CCCCC1)N1CCc2ccccc21 ZINC000440905315 405330364 /nfs/dbraw/zinc/33/03/64/405330364.db2.gz FGJRDBLUYYNQHI-UHFFFAOYSA-N 1 0 302.418 2.251 10 0 DEAERO c1nc(N2CCCCC2)cc(N2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000420252262 405301019 /nfs/dbraw/zinc/30/10/19/405301019.db2.gz NOFDIBLQDFXESW-QGZVFWFLSA-N 1 0 301.438 2.047 10 0 DEAERO C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446611816 405386795 /nfs/dbraw/zinc/38/67/95/405386795.db2.gz AIXIKRUGBWCPLG-AWEZNQCLSA-N 1 0 319.449 2.449 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000427465403 405407295 /nfs/dbraw/zinc/40/72/95/405407295.db2.gz MXIJDCNQIHMTGX-UHFFFAOYSA-N 1 0 315.417 2.051 10 0 DEAERO C[NH+](C)CCn1nccc1NC(=O)N[C@H]1CCC12CCCC2 ZINC000455656791 405440857 /nfs/dbraw/zinc/44/08/57/405440857.db2.gz LFJZVIQIYVSIBN-ZDUSSCGKSA-N 1 0 305.426 2.289 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000638448458 405474238 /nfs/dbraw/zinc/47/42/38/405474238.db2.gz ROWLFMMGESXDGU-LZLYRXPVSA-N 1 0 315.461 2.107 10 0 DEAERO C[C@H](CN1CCOCC1)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493978823 405621516 /nfs/dbraw/zinc/62/15/16/405621516.db2.gz UWIHQULGUYBHBD-FAEJEUNOSA-N 1 0 304.434 2.045 10 0 DEAERO COc1nsc(C[NH2+]CC2(O)CCCC2)c1Br ZINC000638608067 405569208 /nfs/dbraw/zinc/56/92/08/405569208.db2.gz ADYJWWWNTVGSNI-UHFFFAOYSA-N 1 0 321.240 2.309 10 0 DEAERO c1ccc(N2CC[C@@H](C[NH2+]CCOC[C@H]3CCCO3)C2)cc1 ZINC000638633943 405583036 /nfs/dbraw/zinc/58/30/36/405583036.db2.gz HBEAHTUTKHONTA-FUHWJXTLSA-N 1 0 304.434 2.298 10 0 DEAERO [NH3+]CC1(NC(=O)Cc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000638636423 405584940 /nfs/dbraw/zinc/58/49/40/405584940.db2.gz BVVZGMFGXBAANO-UHFFFAOYSA-N 1 0 317.216 2.160 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)c2ccc(Br)c(F)c2)C[NH2+]1 ZINC000638651816 405595949 /nfs/dbraw/zinc/59/59/49/405595949.db2.gz HASZRAHKPHXRAP-WPRPVWTQSA-N 1 0 315.186 2.459 10 0 DEAERO Cc1c(NC(=O)N(C)CCC[NH+](C)C)n(C)nc1C(F)(F)F ZINC000558406112 405655039 /nfs/dbraw/zinc/65/50/39/405655039.db2.gz GHKQBYSHKXUNJM-UHFFFAOYSA-N 1 0 321.347 2.163 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(F)cc(Br)c1 ZINC000638772059 405661670 /nfs/dbraw/zinc/66/16/70/405661670.db2.gz XZUSNOJGUZFUQK-WRWORJQWSA-N 1 0 301.159 2.068 10 0 DEAERO CCN(CC[NH+]1CCCCCC1)C(=O)NCc1nccn1CC ZINC000458977877 405675096 /nfs/dbraw/zinc/67/50/96/405675096.db2.gz CTZADHNVMWTUGH-UHFFFAOYSA-N 1 0 321.469 2.311 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000494473294 405707193 /nfs/dbraw/zinc/70/71/93/405707193.db2.gz JRGFMANFDIUQHI-UHFFFAOYSA-N 1 0 310.463 2.434 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000423211382 405725098 /nfs/dbraw/zinc/72/50/98/405725098.db2.gz HBWKRNNJJOAKKM-HNNXBMFYSA-N 1 0 303.406 2.386 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000638884826 405739436 /nfs/dbraw/zinc/73/94/36/405739436.db2.gz FIJOEBOOJHMKOY-RKDXNWHRSA-N 1 0 315.186 2.255 10 0 DEAERO C[C@H]1CN(C(=O)c2ccc(Br)s2)C[C@@H]1C[NH3+] ZINC000638884252 405739852 /nfs/dbraw/zinc/73/98/52/405739852.db2.gz GNIOUKQRMSFGNF-YUMQZZPRSA-N 1 0 303.225 2.177 10 0 DEAERO CC(C)n1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cn1 ZINC000583618798 405776181 /nfs/dbraw/zinc/77/61/81/405776181.db2.gz NRHGXMNLSYMAAH-BBWFWOEESA-N 1 0 307.438 2.216 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CCOCC(F)(F)C(F)(F)F ZINC000584028496 405807645 /nfs/dbraw/zinc/80/76/45/405807645.db2.gz HJTDZZZFAUDENI-UHFFFAOYSA-N 1 0 320.302 2.001 10 0 DEAERO CC(=O)c1cccc(O[C@@H](C)C(=O)NC2(C[NH3+])CCCCC2)c1 ZINC000639000342 405811164 /nfs/dbraw/zinc/81/11/64/405811164.db2.gz YTHJSIYIMRIPCC-AWEZNQCLSA-N 1 0 318.417 2.434 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000457401054 405827253 /nfs/dbraw/zinc/82/72/53/405827253.db2.gz KLFSXFYIYAJUAP-UHFFFAOYSA-N 1 0 316.401 2.138 10 0 DEAERO C[NH+]1CCC(CC(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000457241060 405765434 /nfs/dbraw/zinc/76/54/34/405765434.db2.gz SAEYUGXTFNBWRF-SFHVURJKSA-N 1 0 324.465 2.299 10 0 DEAERO COc1ccc(C(=O)C[C@@H](C)C(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000457257463 405769473 /nfs/dbraw/zinc/76/94/73/405769473.db2.gz ZURHJCIUZMTANM-CYBMUJFWSA-N 1 0 320.433 2.361 10 0 DEAERO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2nnc(C)o2)cc1 ZINC000583615585 405774496 /nfs/dbraw/zinc/77/44/96/405774496.db2.gz MQJIFRXWTJBFNE-NVXWUHKLSA-N 1 0 317.389 2.259 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000457457134 405849070 /nfs/dbraw/zinc/84/90/70/405849070.db2.gz LMJFMSKTSHFOGX-CVEARBPZSA-N 1 0 316.401 2.138 10 0 DEAERO CCn1nncc1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000459329044 405856965 /nfs/dbraw/zinc/85/69/65/405856965.db2.gz PWDBYSZSPICWCC-UHFFFAOYSA-N 1 0 305.813 2.274 10 0 DEAERO C[C@@H](CCC1CCCC1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000561522276 405933623 /nfs/dbraw/zinc/93/36/23/405933623.db2.gz DJMXGKOKXCNRJC-MKQDKFQKSA-N 1 0 307.438 2.456 10 0 DEAERO C[C@H](CCC1CCCC1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000561522278 405934954 /nfs/dbraw/zinc/93/49/54/405934954.db2.gz DJMXGKOKXCNRJC-RFSCMCKOSA-N 1 0 307.438 2.456 10 0 DEAERO COc1cc(C)c(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1OC ZINC000531267466 405935167 /nfs/dbraw/zinc/93/51/67/405935167.db2.gz QWGVJUIAGMLWBC-LBPRGKRZSA-N 1 0 306.406 2.084 10 0 DEAERO Brc1cnn(CCC[NH2+]CCC[C@@H]2CCO2)c1 ZINC000639184223 405952080 /nfs/dbraw/zinc/95/20/80/405952080.db2.gz LQDUHORJYQPSLY-GFCCVEGCSA-N 1 0 302.216 2.194 10 0 DEAERO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CC[C@@H](C)O ZINC000450560536 405956366 /nfs/dbraw/zinc/95/63/66/405956366.db2.gz DYDXMBBQBVAOTJ-HIFRSBDPSA-N 1 0 306.406 2.177 10 0 DEAERO O[C@H](C[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl)Cn1ccnn1 ZINC000459703396 406011244 /nfs/dbraw/zinc/01/12/44/406011244.db2.gz SJTOCUMWKXKTLJ-XPKDYRNWSA-N 1 0 320.824 2.218 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000562450597 406013012 /nfs/dbraw/zinc/01/30/12/406013012.db2.gz RQTUZAQEYVUIRW-QUCCMNQESA-N 1 0 321.424 2.326 10 0 DEAERO COc1nsc(CNCC2([NH+](C)C)CC2)c1Br ZINC000639273601 406014382 /nfs/dbraw/zinc/01/43/82/406014382.db2.gz XNLWSEOMEYMQOH-UHFFFAOYSA-N 1 0 320.256 2.098 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000457729213 405974136 /nfs/dbraw/zinc/97/41/36/405974136.db2.gz HLNWFKNIWHUFEO-INIZCTEOSA-N 1 0 318.417 2.384 10 0 DEAERO c1nc2n(n1)[C@H](C[N@@H+]1CCc3c(cnn3-c3ccccc3)C1)CC2 ZINC000639451209 406093640 /nfs/dbraw/zinc/09/36/40/406093640.db2.gz MAIGWGBIDLVNSK-INIZCTEOSA-N 1 0 320.400 2.009 10 0 DEAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cccc2c1CCOC2 ZINC000634315592 406094470 /nfs/dbraw/zinc/09/44/70/406094470.db2.gz OQTOTPQUJLCGEK-ZIAGYGMSSA-N 1 0 302.418 2.248 10 0 DEAERO c1nc2n(n1)[C@H](C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)CC2 ZINC000639460029 406098802 /nfs/dbraw/zinc/09/88/02/406098802.db2.gz QSAXDXQJHURARD-DLBZAZTESA-N 1 0 312.417 2.447 10 0 DEAERO c1c2c(nnc1N1CCCC1)CC[N@@H+](CCC[C@H]1CCO1)C2 ZINC000639341742 406057050 /nfs/dbraw/zinc/05/70/50/406057050.db2.gz ZWGKYPNHQATIAT-HNNXBMFYSA-N 1 0 302.422 2.004 10 0 DEAERO CC(=O)[C@](C)(O)C[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000567994863 406176022 /nfs/dbraw/zinc/17/60/22/406176022.db2.gz XEMHDOKKOIUDLZ-DOTOQJQBSA-N 1 0 324.490 2.150 10 0 DEAERO CC[C@@H](CNCc1c(Br)cnn1C)[NH+]1CCCC1 ZINC000486980445 406195070 /nfs/dbraw/zinc/19/50/70/406195070.db2.gz JBTPQTUVGUUMFN-NSHDSACASA-N 1 0 315.259 2.147 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000487573847 406247368 /nfs/dbraw/zinc/24/73/68/406247368.db2.gz LYNXTGWKXRUNKN-SECBINFHSA-N 1 0 302.216 2.230 10 0 DEAERO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1c(Br)cnn1C ZINC000487576351 406247797 /nfs/dbraw/zinc/24/77/97/406247797.db2.gz SXPATVCEHPITDJ-LBPRGKRZSA-N 1 0 318.259 2.315 10 0 DEAERO CC(=O)N(C)c1ccc(NC(=O)NC2(C[NH3+])CCCCC2)cc1 ZINC000632910810 406316713 /nfs/dbraw/zinc/31/67/13/406316713.db2.gz ZDPNTVFWQXRXPL-UHFFFAOYSA-N 1 0 318.421 2.452 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2ncc(C)cc2OC)CC1 ZINC000488771638 406347827 /nfs/dbraw/zinc/34/78/27/406347827.db2.gz RBHSWZHZTYYOQJ-UHFFFAOYSA-N 1 0 305.422 2.250 10 0 DEAERO C[C@@]1(CO)CCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000546115105 406351219 /nfs/dbraw/zinc/35/12/19/406351219.db2.gz ITXIECYHVIVKJT-SFHVURJKSA-N 1 0 302.418 2.269 10 0 DEAERO Cc1cnc([C@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)s1 ZINC000546566053 406361767 /nfs/dbraw/zinc/36/17/67/406361767.db2.gz JOIWZJFTYDFYIP-ZDUSSCGKSA-N 1 0 308.451 2.464 10 0 DEAERO Cc1cc([C@H]2CCCN2C(=O)NCC[N@H+]2CC=C(C)CC2)on1 ZINC000546566492 406361948 /nfs/dbraw/zinc/36/19/48/406361948.db2.gz LUNBRRYIJMWVDZ-OAHLLOKOSA-N 1 0 318.421 2.482 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000634985237 406385939 /nfs/dbraw/zinc/38/59/39/406385939.db2.gz ODPPRELOMOSHHO-KBPBESRZSA-N 1 0 301.452 2.035 10 0 DEAERO Brc1cccc2c1C[C@@H]1[C@H](N[C@@H]3CCC[NH2+]C3)[C@H]21 ZINC000634997405 406390774 /nfs/dbraw/zinc/39/07/74/406390774.db2.gz KIKQJCQMLWBLQZ-PWFWHMEDSA-N 1 0 307.235 2.429 10 0 DEAERO Cc1ccc2c(c1)[C@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)CO2 ZINC000547277589 406394341 /nfs/dbraw/zinc/39/43/41/406394341.db2.gz QHUQAOQSOBHZRD-MRXNPFEDSA-N 1 0 315.417 2.380 10 0 DEAERO C([NH2+][C@H](C1CC1)[C@H]1CNCCO1)C1([C@H]2CCCCO2)CCC1 ZINC000635012518 406399795 /nfs/dbraw/zinc/39/97/95/406399795.db2.gz MVEWJYNALBJHKG-BRWVUGGUSA-N 1 0 308.466 2.082 10 0 DEAERO COc1cccc2c1CC[N@H+](CCC(=O)N1CCC[C@@H]1C)CC2 ZINC000489491604 406411689 /nfs/dbraw/zinc/41/16/89/406411689.db2.gz XYRJCXGJEBYREK-HNNXBMFYSA-N 1 0 316.445 2.497 10 0 DEAERO [NH3+]C1(CC(=O)NC2CCCC2)CCN(Cc2ccccc2)CC1 ZINC000637872353 406456561 /nfs/dbraw/zinc/45/65/61/406456561.db2.gz IWDBNIGTFAKMST-UHFFFAOYSA-N 1 0 315.461 2.429 10 0 DEAERO C[C@]1(C(=O)NCCc2ccc(Cl)cc2Cl)C[NH2+]CCO1 ZINC000637874424 406457324 /nfs/dbraw/zinc/45/73/24/406457324.db2.gz YIFUCQLGAALGLZ-CQSZACIVSA-N 1 0 317.216 2.031 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N(C)CCC[NH+](C)C)CC2 ZINC000526009706 406533007 /nfs/dbraw/zinc/53/30/07/406533007.db2.gz NPGDKUQZRSHVQY-ZDUSSCGKSA-N 1 0 306.454 2.048 10 0 DEAERO CC[C@@H]1CCC[C@@H]1NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638032770 406533545 /nfs/dbraw/zinc/53/35/45/406533545.db2.gz APJPZPUZDLQUMG-ZACQAIPSSA-N 1 0 303.450 2.141 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCC1(C)CCCC1 ZINC000637990476 406513176 /nfs/dbraw/zinc/51/31/76/406513176.db2.gz XOGPEMQCAPQJPX-MRXNPFEDSA-N 1 0 303.450 2.142 10 0 DEAERO C[C@H](NC(=O)c1cn2cccnc2n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000548432754 406514412 /nfs/dbraw/zinc/51/44/12/406514412.db2.gz XMOUUJGKVLTFOT-BBRMVZONSA-N 1 0 323.400 2.151 10 0 DEAERO Cc1nc(CCNC(=O)NC2CC([NH+]3CCCCC3)C2)c(C)o1 ZINC000527518573 406648159 /nfs/dbraw/zinc/64/81/59/406648159.db2.gz VTFHGZUIOPAZKC-UHFFFAOYSA-N 1 0 320.437 2.150 10 0 DEAERO Cc1ccncc1C[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000527529316 406651104 /nfs/dbraw/zinc/65/11/04/406651104.db2.gz USBJJFPALFXYBM-UHFFFAOYSA-N 1 0 302.399 2.010 10 0 DEAERO COc1nsc(CNCC(C)(C)[NH+](C)C)c1Br ZINC000638290304 406674958 /nfs/dbraw/zinc/67/49/58/406674958.db2.gz FLUXZIPAYYIHOS-UHFFFAOYSA-N 1 0 322.272 2.344 10 0 DEAERO c1csc([C@@H](C[NH2+]CCC[C@@H]2CCO2)N2CCOCC2)c1 ZINC000638295502 406678300 /nfs/dbraw/zinc/67/83/00/406678300.db2.gz YJZGGKYRHTUZRK-HUUCEWRRSA-N 1 0 310.463 2.280 10 0 DEAERO C[C@@H](CCC1CC1)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638308747 406689420 /nfs/dbraw/zinc/68/94/20/406689420.db2.gz XHIDMJGZBQSAMY-YOEHRIQHSA-N 1 0 303.450 2.141 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCC1(C2CC2)CCC1 ZINC000638310169 406689794 /nfs/dbraw/zinc/68/97/94/406689794.db2.gz OKHIGEMCGNFSEE-QGZVFWFLSA-N 1 0 315.461 2.142 10 0 DEAERO CCOCCC[NH2+]Cc1snc(OC)c1Br ZINC000638314332 406693179 /nfs/dbraw/zinc/69/31/79/406693179.db2.gz BOYWFSLFNQMANO-UHFFFAOYSA-N 1 0 309.229 2.430 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000638378736 406736326 /nfs/dbraw/zinc/73/63/26/406736326.db2.gz SMJSCQXWYSPJMR-ZZTPXLKCSA-N 1 0 302.418 2.224 10 0 DEAERO C[C@@H]1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000638404732 406752452 /nfs/dbraw/zinc/75/24/52/406752452.db2.gz LJSUAUSXWXLDDL-INMHGKMJSA-N 1 0 303.450 2.093 10 0 DEAERO O=C1NCCOc2ccccc2CCCCC12CC[NH2+]CC2 ZINC000643275717 406972753 /nfs/dbraw/zinc/97/27/53/406972753.db2.gz CAWPQQYGSWZHCB-UHFFFAOYSA-N 1 0 302.418 2.278 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643645310 407021615 /nfs/dbraw/zinc/02/16/15/407021615.db2.gz JCBNVVBSLHLFFD-LLVKDONJSA-N 1 0 317.216 2.188 10 0 DEAERO Cc1cc(C)n(CC[N@H+]2CCC[C@@H]2c2ccc(N(C)C)nn2)n1 ZINC000643729682 407033562 /nfs/dbraw/zinc/03/35/62/407033562.db2.gz DAZATEXFGZYLQL-MRXNPFEDSA-N 1 0 314.437 2.193 10 0 DEAERO COC(C[NH2+]Cc1cc(Br)cc2c1OCC2)OC ZINC000129155864 196024983 /nfs/dbraw/zinc/02/49/83/196024983.db2.gz AYSKVTIAKMCCTH-UHFFFAOYSA-N 1 0 316.195 2.093 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1c1nc2cc(Br)cc(C)c2[nH]1 ZINC000129639540 196064365 /nfs/dbraw/zinc/06/43/65/196064365.db2.gz QCOUMSUEIPYQTH-MWLCHTKSSA-N 1 0 310.195 2.336 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CCC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129675169 196067047 /nfs/dbraw/zinc/06/70/47/196067047.db2.gz TZKSSNBUKVCAHL-JYJNAYRXSA-N 1 0 316.511 2.462 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2Cl)C[C@@H]1C ZINC000129714621 196070409 /nfs/dbraw/zinc/07/04/09/196070409.db2.gz WBWLBAHIUZXINY-MNOVXSKESA-N 1 0 316.854 2.465 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNc2nc(NC)ncc2Br)C1 ZINC000129891352 196083336 /nfs/dbraw/zinc/08/33/36/196083336.db2.gz RLJLYANEYMRVEN-VIFPVBQESA-N 1 0 314.231 2.035 10 0 DEAERO COc1cnn(C)c1[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000129975545 196083783 /nfs/dbraw/zinc/08/37/83/196083783.db2.gz ARGOJHBZKVCGLO-NSHDSACASA-N 1 0 301.268 2.375 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)C(=O)NCC(F)(F)F ZINC000130503174 196085342 /nfs/dbraw/zinc/08/53/42/196085342.db2.gz QSBMEDHYRJRALH-GXFFZTMASA-N 1 0 300.324 2.201 10 0 DEAERO O=C1C[C@@H]([NH2+]CCCC(F)(F)F)C(=O)N1c1ccccc1 ZINC000130548167 196090061 /nfs/dbraw/zinc/09/00/61/196090061.db2.gz KTWPDEBVIRGIIP-LLVKDONJSA-N 1 0 300.280 2.251 10 0 DEAERO CCO[C@@H]1CCC[N@H+](Cc2cc(C(N)=S)ccc2OC)C1 ZINC000130589304 196093691 /nfs/dbraw/zinc/09/36/91/196093691.db2.gz HCCXEVXSVNQZOB-CQSZACIVSA-N 1 0 308.447 2.330 10 0 DEAERO C[NH2+]C[C@@H]1COCCN1Cc1cccc(F)c1Br ZINC000130738967 196105434 /nfs/dbraw/zinc/10/54/34/196105434.db2.gz ZEODYFFRZQQIRU-LLVKDONJSA-N 1 0 317.202 2.008 10 0 DEAERO C[NH2+]C[C@H]1COCCN1Cc1cccc(F)c1Br ZINC000130739200 196105502 /nfs/dbraw/zinc/10/55/02/196105502.db2.gz ZEODYFFRZQQIRU-NSHDSACASA-N 1 0 317.202 2.008 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NCCCC(F)(F)F)cc1 ZINC000130871594 196118328 /nfs/dbraw/zinc/11/83/28/196118328.db2.gz HDXVVSGDTAHZKQ-UHFFFAOYSA-N 1 0 310.341 2.027 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NCCCC(F)(F)F)cc1 ZINC000130872056 196119160 /nfs/dbraw/zinc/11/91/60/196119160.db2.gz MQXBOJCUOHPNQB-UHFFFAOYSA-N 1 0 324.368 2.417 10 0 DEAERO [NH3+]Cc1nnnn1-c1ccc2cc(Br)ccc2c1 ZINC000130887190 196119723 /nfs/dbraw/zinc/11/97/23/196119723.db2.gz QIQHOYIZYPQQSS-UHFFFAOYSA-N 1 0 304.151 2.037 10 0 DEAERO CC(C)CCCOC[C@H](O)C[NH2+]CC1(CO)CCCCC1 ZINC000130905682 196120604 /nfs/dbraw/zinc/12/06/04/196120604.db2.gz RMNUNDXIJYDWSO-MRXNPFEDSA-N 1 0 301.471 2.333 10 0 DEAERO CS[C@@H](C)CCNS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000130935085 196124423 /nfs/dbraw/zinc/12/44/23/196124423.db2.gz OPQUMDDVVXFXDQ-WDEREUQCSA-N 1 0 302.465 2.126 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@H](Sc2nc(CC)ns2)C1 ZINC000131006604 196131465 /nfs/dbraw/zinc/13/14/65/196131465.db2.gz MQYBJUPDMAASRQ-GWCFXTLKSA-N 1 0 301.481 2.476 10 0 DEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)c1cc(Cl)ccc1OC ZINC000131078716 196137450 /nfs/dbraw/zinc/13/74/50/196137450.db2.gz DFYCUEHJJXNLFG-LBPRGKRZSA-N 1 0 305.827 2.434 10 0 DEAERO NNc1[nH+]cc(C(=O)NCCCCC(F)(F)F)cc1Cl ZINC000131120018 196141744 /nfs/dbraw/zinc/14/17/44/196141744.db2.gz CBVOKIYUQCDCGR-UHFFFAOYSA-N 1 0 310.707 2.483 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])c1cccc(F)c1Br ZINC000131341254 196161273 /nfs/dbraw/zinc/16/12/73/196161273.db2.gz DIDLRMHVOXWVID-JTQLQIEISA-N 1 0 324.215 2.413 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C(=O)/C=C(/C)c2cccc(F)c2)CC1 ZINC000131597126 196182894 /nfs/dbraw/zinc/18/28/94/196182894.db2.gz VJBIIYZBAZKJEI-IFCKCIONSA-N 1 0 320.408 2.144 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1Br ZINC000131636917 196186084 /nfs/dbraw/zinc/18/60/84/196186084.db2.gz JFQBHFBYNGAKCF-CBAPKCEASA-N 1 0 319.586 2.015 10 0 DEAERO CC[C@@H](CSC)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000131680333 196191051 /nfs/dbraw/zinc/19/10/51/196191051.db2.gz JFMMADRTVOWUHF-JSGCOSHPSA-N 1 0 305.447 2.296 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C)C2)c(F)c1 ZINC000131759853 196196424 /nfs/dbraw/zinc/19/64/24/196196424.db2.gz UPRPPHDRACHXJC-NEPJUHHUSA-N 1 0 314.426 2.212 10 0 DEAERO COc1cc(Br)ccc1[C@@H]([NH3+])Cc1cnn(C)c1 ZINC000131804119 196200387 /nfs/dbraw/zinc/20/03/87/196200387.db2.gz GUVIMJPIETUYAN-LBPRGKRZSA-N 1 0 310.195 2.434 10 0 DEAERO [NH3+]Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000132209066 196235643 /nfs/dbraw/zinc/23/56/43/196235643.db2.gz IFGQPHAUVIOSNP-VXGBXAGGSA-N 1 0 314.838 2.219 10 0 DEAERO CCCN(CC[NH+](C)C)c1nc(NC)ncc1Br ZINC000132349482 196247879 /nfs/dbraw/zinc/24/78/79/196247879.db2.gz NXLMHLXSLXDZPY-UHFFFAOYSA-N 1 0 316.247 2.059 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(O[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000132300760 196243308 /nfs/dbraw/zinc/24/33/08/196243308.db2.gz KFSYHOKEWNMPRC-ONGXEEELSA-N 1 0 303.811 2.186 10 0 DEAERO CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccoc1C ZINC000132753977 196280507 /nfs/dbraw/zinc/28/05/07/196280507.db2.gz JUOKRHYEFQHLPI-ZFWWWQNUSA-N 1 0 314.451 2.300 10 0 DEAERO CC(C)n1ncc(Br)c1[C@H](O)C1CC[NH2+]CC1 ZINC000132865858 196291457 /nfs/dbraw/zinc/29/14/57/196291457.db2.gz DOOQVMSOPIYYCY-GFCCVEGCSA-N 1 0 302.216 2.260 10 0 DEAERO Cc1csc(C2([NH2+]C3CC3)CCN(C(=O)N(C)C)CC2)n1 ZINC000132905173 196295046 /nfs/dbraw/zinc/29/50/46/196295046.db2.gz XHDYTYSZDYUVPM-UHFFFAOYSA-N 1 0 308.451 2.176 10 0 DEAERO COc1ccc(C[C@H](O)C2CC[NH2+]CC2)cc1Br ZINC000133029737 196305778 /nfs/dbraw/zinc/30/57/78/196305778.db2.gz SHDBFLBNFWPVPG-ZDUSSCGKSA-N 1 0 314.223 2.361 10 0 DEAERO O[C@H](Cc1ccc(F)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000133055870 196308536 /nfs/dbraw/zinc/30/85/36/196308536.db2.gz WGQVXXCJKHYGLU-ZWNOBZJWSA-N 1 0 302.187 2.491 10 0 DEAERO CCNc1ncc(Br)c(NCC[N@H+](C)C2CC2)n1 ZINC000133067121 196308990 /nfs/dbraw/zinc/30/89/90/196308990.db2.gz QCSNRZMGDGWVNQ-UHFFFAOYSA-N 1 0 314.231 2.177 10 0 DEAERO O[C@H](Cc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000133087997 196310483 /nfs/dbraw/zinc/31/04/83/196310483.db2.gz NYCHRGAGALHFGW-ZWNOBZJWSA-N 1 0 302.187 2.491 10 0 DEAERO C[NH2+][C@H](Cc1cc(C)ccc1OC)[C@@H]1CCCCS1(=O)=O ZINC000133306903 196329744 /nfs/dbraw/zinc/32/97/44/196329744.db2.gz KYGICFOWIPPZCC-ZBFHGGJFSA-N 1 0 311.447 2.101 10 0 DEAERO CC(C)(CCc1ccccc1)NS(=O)(=O)C1CC[NH2+]CC1 ZINC000133760103 196335102 /nfs/dbraw/zinc/33/51/02/196335102.db2.gz PSEPVDCQFNCNOZ-UHFFFAOYSA-N 1 0 310.463 2.069 10 0 DEAERO CC[NH+](CC)Cc1cc(C(F)(F)F)cc(S(N)(=O)=O)c1 ZINC000133943543 196347649 /nfs/dbraw/zinc/34/76/49/196347649.db2.gz ICJISHUHUJYGMO-UHFFFAOYSA-N 1 0 310.341 2.195 10 0 DEAERO C[C@H]1CCCC[C@@]1(C[NH3+])NC(=O)c1snnc1C(C)(C)C ZINC000133951075 196348474 /nfs/dbraw/zinc/34/84/74/196348474.db2.gz MTIFYFVGSKTLTB-BONVTDFDSA-N 1 0 310.467 2.473 10 0 DEAERO CC[C@@](C)(C(=O)c1c(Cl)cnn1CC[NH+](C)C)N(C)C ZINC000134100511 196361474 /nfs/dbraw/zinc/36/14/74/196361474.db2.gz CWZVDHFIFNXXCI-AWEZNQCLSA-N 1 0 300.834 2.011 10 0 DEAERO CC[C@H](CCO)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000134382631 196384197 /nfs/dbraw/zinc/38/41/97/196384197.db2.gz HAZWMKQOVAAAJC-OLZOCXBDSA-N 1 0 301.228 2.200 10 0 DEAERO CCOCCN(CCOCC)C(=O)C[C@H]([NH3+])CC(C)(C)C ZINC000134894220 196428671 /nfs/dbraw/zinc/42/86/71/196428671.db2.gz AALWLDDWKXSRIY-AWEZNQCLSA-N 1 0 302.459 2.042 10 0 DEAERO [NH3+][C@H]1C[C@@H]1NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000134984914 196437269 /nfs/dbraw/zinc/43/72/69/196437269.db2.gz DBABETIZHPOWPS-STQMWFEESA-N 1 0 305.175 2.432 10 0 DEAERO C[C@H]1CCC[C@@](O)(C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000135306976 196462834 /nfs/dbraw/zinc/46/28/34/196462834.db2.gz RJLLAXVNJYBJTH-BBRMVZONSA-N 1 0 300.443 2.432 10 0 DEAERO CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CCCC[C@@H]1CO ZINC000135308691 196462861 /nfs/dbraw/zinc/46/28/61/196462861.db2.gz WTQBAHYRAOKPSR-UONOGXRCSA-N 1 0 300.443 2.290 10 0 DEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262579222 287286585 /nfs/dbraw/zinc/28/65/85/287286585.db2.gz YQKXFFZVOJJTRG-VFCJXBEMSA-N 1 0 308.466 2.461 10 0 DEAERO [NH3+]Cc1nccn1-c1ccnc2cc(Br)cnc21 ZINC000135565897 196488174 /nfs/dbraw/zinc/48/81/74/196488174.db2.gz VUOAPVYBXNVKJW-UHFFFAOYSA-N 1 0 304.151 2.037 10 0 DEAERO CCS(=O)(=O)c1ccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000136830872 196554168 /nfs/dbraw/zinc/55/41/68/196554168.db2.gz NAYMBTXTEZMKJH-CYBMUJFWSA-N 1 0 312.435 2.182 10 0 DEAERO CC(=O)c1ccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000571890347 292579816 /nfs/dbraw/zinc/57/98/16/292579816.db2.gz PSAHXNZAOSNGRO-QGZVFWFLSA-N 1 0 301.390 2.497 10 0 DEAERO COc1coc(C[NH+]2CCC(C3CCOCC3)CC2)cc1=O ZINC000572228654 292603499 /nfs/dbraw/zinc/60/34/99/292603499.db2.gz JLWNCDMBLDXIIA-UHFFFAOYSA-N 1 0 307.390 2.287 10 0 DEAERO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC3(C2)CCCCC3)C1 ZINC000369742752 227038188 /nfs/dbraw/zinc/03/81/88/227038188.db2.gz UQFBHCCIUYKRHE-HNNXBMFYSA-N 1 0 309.454 2.073 10 0 DEAERO C[C@@H]1CCC[C@](CNC(=O)N2CCOCC[C@H]2C)([NH+](C)C)C1 ZINC000371425708 287499862 /nfs/dbraw/zinc/49/98/62/287499862.db2.gz UPZLSZQEVNHBIR-INMHGKMJSA-N 1 0 311.470 2.317 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2cc(N)n[nH]2)CC1 ZINC000616628760 422517548 /nfs/dbraw/zinc/51/75/48/422517548.db2.gz QTGHZLONXFIWCB-LBPRGKRZSA-N 1 0 323.441 2.086 10 0 DEAERO CCCCc1nnc(NC(=O)NCC[N@H+]2CC=C(C)CC2)s1 ZINC000358469585 424823439 /nfs/dbraw/zinc/82/34/39/424823439.db2.gz OFUSMOGTFPEQNU-UHFFFAOYSA-N 1 0 323.466 2.654 10 0 DEAERO Cn1ccnc1CC1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000105876706 424849300 /nfs/dbraw/zinc/84/93/00/424849300.db2.gz LNAVADHWCRSYFJ-UHFFFAOYSA-N 1 0 318.465 2.124 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2ccc(C)c(F)c2)c1 ZINC000105881488 424849616 /nfs/dbraw/zinc/84/96/16/424849616.db2.gz GIDUOWUCPCXFDI-ZDUSSCGKSA-N 1 0 304.369 2.256 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(OC(F)F)cc2)C1 ZINC000194638006 424877427 /nfs/dbraw/zinc/87/74/27/424877427.db2.gz OEGPYATVRVJVLQ-CYBMUJFWSA-N 1 0 312.360 2.431 10 0 DEAERO COc1cccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000124260877 424855410 /nfs/dbraw/zinc/85/54/10/424855410.db2.gz JIIJOMBINBPRCX-UHFFFAOYSA-N 1 0 312.435 2.025 10 0 DEAERO c1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc(N2CCSCC2)n1 ZINC000639386455 424857857 /nfs/dbraw/zinc/85/78/57/424857857.db2.gz IVMHOZRRDYLZFP-CVEARBPZSA-N 1 0 319.474 2.292 10 0 DEAERO Cc1cc(NC(=O)CC[N@@H+]2CCO[C@H](C3CCCCC3)C2)no1 ZINC000329473216 424905598 /nfs/dbraw/zinc/90/55/98/424905598.db2.gz ZQNXXNHNLFEFPJ-HNNXBMFYSA-N 1 0 321.421 2.593 10 0 DEAERO Brc1ccc2c(c1)[C@H]([NH2+]C1COCCOC1)CC2 ZINC000386259024 424911591 /nfs/dbraw/zinc/91/15/91/424911591.db2.gz FFHGYYDDMMBHCA-CQSZACIVSA-N 1 0 312.207 2.441 10 0 DEAERO Cc1cc(C[NH2+]CC[C@@]2(O)CCOC2)ccc1Br ZINC000404206535 424926075 /nfs/dbraw/zinc/92/60/75/424926075.db2.gz NNYZNFOESRSAAZ-CQSZACIVSA-N 1 0 314.223 2.389 10 0 DEAERO [NH3+]CC1(CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000404633190 424927954 /nfs/dbraw/zinc/92/79/54/424927954.db2.gz HJNFSMDNVOKXEU-UHFFFAOYSA-N 1 0 323.245 2.401 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1nscc1Br ZINC000404791299 424929064 /nfs/dbraw/zinc/92/90/64/424929064.db2.gz RIMQDHMYQGLZFG-VXNVDRBHSA-N 1 0 318.240 2.248 10 0 DEAERO O=C(NCCC[NH+]1CCCC1)c1nscc1Br ZINC000404877658 424929757 /nfs/dbraw/zinc/92/97/57/424929757.db2.gz XUNRDSFNJXUHPM-UHFFFAOYSA-N 1 0 318.240 2.121 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)c1nscc1Br ZINC000405038115 424930862 /nfs/dbraw/zinc/93/08/62/424930862.db2.gz RNWOVIBKJSNFME-UHFFFAOYSA-N 1 0 320.256 2.319 10 0 DEAERO c1cnnc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000584189278 424988734 /nfs/dbraw/zinc/98/87/34/424988734.db2.gz SYHNTIJEHUKPJO-UHFFFAOYSA-N 1 0 312.417 2.606 10 0 DEAERO C[C@@H](CC(=O)N1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000041546746 267366360 /nfs/dbraw/zinc/36/63/60/267366360.db2.gz DTLNEVDKEZNJKF-NSHDSACASA-N 1 0 311.223 2.375 10 0 DEAERO C[C@@H](Cc1cccs1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653070078 425395611 /nfs/dbraw/zinc/39/56/11/425395611.db2.gz IPVAHAYZLRRFRM-JMJZKYOTSA-N 1 0 306.353 2.193 10 0 DEAERO C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000661434062 425407558 /nfs/dbraw/zinc/40/75/58/425407558.db2.gz NNEKSZJYVWYQKQ-NJAFHUGGSA-N 1 0 307.434 2.047 10 0 DEAERO CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)c1nccs1 ZINC000653120857 425410953 /nfs/dbraw/zinc/41/09/53/425410953.db2.gz CXXWMCMSDXVWQP-IWSPIJDZSA-N 1 0 307.341 2.108 10 0 DEAERO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1cccc(Cl)c1 ZINC000188238128 267672723 /nfs/dbraw/zinc/67/27/23/267672723.db2.gz IFIYCLBGYYAZHZ-SECBINFHSA-N 1 0 304.781 2.200 10 0 DEAERO O=C(CCn1cccn1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193050379 267751411 /nfs/dbraw/zinc/75/14/11/267751411.db2.gz NEKXLNPBNOOGHX-UHFFFAOYSA-N 1 0 312.417 2.185 10 0 DEAERO CC(C)(C)c1csc(CNC(=O)N[C@H]2CCCC[NH2+]C2)n1 ZINC000333148474 268892293 /nfs/dbraw/zinc/89/22/93/268892293.db2.gz DZDGZZMYLLEGGG-NSHDSACASA-N 1 0 310.467 2.382 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H](c2ccc(F)cc2)O1 ZINC000333660888 268972641 /nfs/dbraw/zinc/97/26/41/268972641.db2.gz LNTVDFULSDSPLZ-DAXOMENPSA-N 1 0 321.396 2.049 10 0 DEAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000333721450 268982472 /nfs/dbraw/zinc/98/24/72/268982472.db2.gz GOOQHEBKIAPULO-WQVCFCJDSA-N 1 0 321.396 2.049 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N[C@H]1CCCOc2ccccc21 ZINC000333797199 268992698 /nfs/dbraw/zinc/99/26/98/268992698.db2.gz NLHPTMVXQWLREO-ZFWWWQNUSA-N 1 0 303.406 2.342 10 0 DEAERO C[C@@]1(CNC(=O)N2CCO[C@H](C3CCCCC3)C2)CCC[NH2+]C1 ZINC000333882268 269000150 /nfs/dbraw/zinc/00/01/50/269000150.db2.gz WKZCMNDUVSNSHG-FUHWJXTLSA-N 1 0 323.481 2.367 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(c3cncc(OCC4CCCC4)n3)C[C@@H]12 ZINC000333893188 269001039 /nfs/dbraw/zinc/00/10/39/269001039.db2.gz HIZHGRLCKAMNPF-RRFJBIMHSA-N 1 0 302.422 2.219 10 0 DEAERO CC(C)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000333926669 269004916 /nfs/dbraw/zinc/00/49/16/269004916.db2.gz VQAXAUHWXBTVNY-YLFCFFPRSA-N 1 0 323.481 2.221 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2F)C1 ZINC000390021463 269097079 /nfs/dbraw/zinc/09/70/79/269097079.db2.gz WRHMZMATZAYXDH-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO Cn1cc(Br)c(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000393318763 269099252 /nfs/dbraw/zinc/09/92/52/269099252.db2.gz AEFALCITCYLPBM-QWHCGFSZSA-N 1 0 321.222 2.417 10 0 DEAERO COC(=O)[C@H](C1CC1)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396338608 269102999 /nfs/dbraw/zinc/10/29/99/269102999.db2.gz BDAWIVVAQRAENJ-YOEHRIQHSA-N 1 0 302.418 2.144 10 0 DEAERO c1nnn(Cc2ccccc2)c1CN1CCOCC2(CCC2)C1 ZINC000430061536 269124635 /nfs/dbraw/zinc/12/46/35/269124635.db2.gz QOIQLSPHDLPOPM-UHFFFAOYSA-N 1 0 312.417 2.329 10 0 DEAERO Cn1c(=O)ccc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc21 ZINC000516615523 269365403 /nfs/dbraw/zinc/36/54/03/269365403.db2.gz OQRYKAIVDVVCKW-HNNXBMFYSA-N 1 0 311.385 2.104 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1cnn(C)c1 ZINC000517162322 269378954 /nfs/dbraw/zinc/37/89/54/269378954.db2.gz HFMCRUKMJVJBII-QLFDAEIZSA-N 1 0 316.449 2.156 10 0 DEAERO COC[C@H](Cc1ccccc1)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178052813 274049607 /nfs/dbraw/zinc/04/96/07/274049607.db2.gz PHDPENUAMUICTH-KRWDZBQOSA-N 1 0 323.400 2.010 10 0 DEAERO COc1cc(OC)cc([C@@H]2CCN(C(=O)C3([NH3+])CCCC3)C2)c1 ZINC000178167397 274098498 /nfs/dbraw/zinc/09/84/98/274098498.db2.gz HCHMZVNTHYFJSF-CYBMUJFWSA-N 1 0 318.417 2.291 10 0 DEAERO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC000248340195 287791611 /nfs/dbraw/zinc/79/16/11/287791611.db2.gz IMXNQRIXYHYDKO-TUVASFSCSA-N 1 0 302.484 2.072 10 0 DEAERO CC(C)c1nn(C)c(Cl)c1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172907673 276071127 /nfs/dbraw/zinc/07/11/27/276071127.db2.gz SXEASPMMVWQCPN-NSHDSACASA-N 1 0 310.829 2.117 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1csc(-c2cnccn2)n1 ZINC000077425949 276117864 /nfs/dbraw/zinc/11/78/64/276117864.db2.gz MSUWSUICJKTYPC-LLVKDONJSA-N 1 0 319.434 2.060 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000261538139 276141791 /nfs/dbraw/zinc/14/17/91/276141791.db2.gz FSKVRFNVRUUHSC-SFHVURJKSA-N 1 0 323.440 2.425 10 0 DEAERO CCC[C@@H](C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1)[NH+](C)C ZINC000155134083 276269173 /nfs/dbraw/zinc/26/91/73/276269173.db2.gz ZHQQRNLRZKZYFG-BBRMVZONSA-N 1 0 315.421 2.175 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1NC(=O)OC ZINC000176992320 276377395 /nfs/dbraw/zinc/37/73/95/276377395.db2.gz PAEBDCAWUBLGFO-ZDUSSCGKSA-N 1 0 319.405 2.421 10 0 DEAERO CC[C@@H]1C[C@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC(=O)N1 ZINC000329670874 276587377 /nfs/dbraw/zinc/58/73/77/276587377.db2.gz MZDSAEQBTPRTKQ-ZNMIVQPWSA-N 1 0 307.438 2.218 10 0 DEAERO CN(C)C(=O)Sc1ccc(C[NH2+]C(C)(C)CC(N)=O)cc1 ZINC000186217136 276756308 /nfs/dbraw/zinc/75/63/08/276756308.db2.gz QTMCKXSIAHWTOK-UHFFFAOYSA-N 1 0 309.435 2.204 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000187949018 276819581 /nfs/dbraw/zinc/81/95/81/276819581.db2.gz OTIUMHMIPZFESN-HOTGVXAUSA-N 1 0 311.470 2.317 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1C ZINC000246758732 277101789 /nfs/dbraw/zinc/10/17/89/277101789.db2.gz ALTVEQVMPLTLHN-YGRLFVJLSA-N 1 0 303.406 2.143 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cnn3c2CCCC3)[C@@H]1c1ccccc1 ZINC000180150740 277137898 /nfs/dbraw/zinc/13/78/98/277137898.db2.gz OWLXQVILWPBOPZ-AEFFLSMTSA-N 1 0 324.428 2.395 10 0 DEAERO COC1([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)CCOCC1 ZINC000453460376 277472910 /nfs/dbraw/zinc/47/29/10/277472910.db2.gz WNTCRCJURXKSEZ-SJLPKXTDSA-N 1 0 321.461 2.381 10 0 DEAERO C[C@@H](CNC1=[NH+]CCCN1)Oc1ccccc1Br ZINC000097011861 277586897 /nfs/dbraw/zinc/58/68/97/277586897.db2.gz PAQKITVFBRMBFG-JTQLQIEISA-N 1 0 312.211 2.155 10 0 DEAERO COc1cc(CCC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc(OC)c1 ZINC000155340904 277812488 /nfs/dbraw/zinc/81/24/88/277812488.db2.gz NBPJKPIKRUYOJI-KBPBESRZSA-N 1 0 320.433 2.187 10 0 DEAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000340528136 277971667 /nfs/dbraw/zinc/97/16/67/277971667.db2.gz AIEOPDJHTNPZMG-XLWJZTARSA-N 1 0 303.468 2.135 10 0 DEAERO COc1ccc2nc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000171585554 278001446 /nfs/dbraw/zinc/00/14/46/278001446.db2.gz JKKJVWHJUGYNJD-CQSZACIVSA-N 1 0 311.385 2.164 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCOC2)c2ccc(F)cc2C1 ZINC000184510672 278057147 /nfs/dbraw/zinc/05/71/47/278057147.db2.gz VKDLVBYQVINCRL-RDJZCZTQSA-N 1 0 306.381 2.388 10 0 DEAERO C[C@H](CCn1cccn1)[NH2+][C@@H](Cc1ccccc1)CN(C)C ZINC000158672721 278176716 /nfs/dbraw/zinc/17/67/16/278176716.db2.gz VJUJQBKZEKAUBG-AEFFLSMTSA-N 1 0 300.450 2.424 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000231791492 278362695 /nfs/dbraw/zinc/36/26/95/278362695.db2.gz IYBVUUSOUGSVSP-DTWKUNHWSA-N 1 0 310.341 2.326 10 0 DEAERO C[C@@H]1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)[C@@H](C[NH3+])C1 ZINC000261924270 278537604 /nfs/dbraw/zinc/53/76/04/278537604.db2.gz ZFALFZKMENYWNU-YVLXSGLVSA-N 1 0 308.809 2.229 10 0 DEAERO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262280876 278859491 /nfs/dbraw/zinc/85/94/91/278859491.db2.gz KZJFHVKMRBOSGK-IWCQGFGOSA-N 1 0 302.418 2.493 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1OCCc2ccccc21 ZINC000129602810 278973876 /nfs/dbraw/zinc/97/38/76/278973876.db2.gz ZVIXOEVIPKQABE-RDJZCZTQSA-N 1 0 304.434 2.393 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCSC[C@@H](C)C1 ZINC000192344259 279125037 /nfs/dbraw/zinc/12/50/37/279125037.db2.gz KOROKSJVFNFTLV-UONOGXRCSA-N 1 0 301.500 2.357 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cn(C)nc1C(C)(C)C ZINC000092246345 279132871 /nfs/dbraw/zinc/13/28/71/279132871.db2.gz YWMZBBNSGXTGMF-CYBMUJFWSA-N 1 0 308.470 2.424 10 0 DEAERO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261879757 279214399 /nfs/dbraw/zinc/21/43/99/279214399.db2.gz UNJDDYCWUJWGQG-JJRVBVJISA-N 1 0 315.461 2.412 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000038050837 279624367 /nfs/dbraw/zinc/62/43/67/279624367.db2.gz WTORFBXVKADSLP-OLZOCXBDSA-N 1 0 311.451 2.055 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000237987431 279677910 /nfs/dbraw/zinc/67/79/10/279677910.db2.gz GWJZYSACYHUEED-HTQZYQBOSA-N 1 0 318.261 2.457 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(c2cc[nH+]cc2N)C1 ZINC000087493465 279961880 /nfs/dbraw/zinc/96/18/80/279961880.db2.gz OYVHBKYSQSWGEV-NWDGAFQWSA-N 1 0 306.410 2.403 10 0 DEAERO C[C@](C[NH3+])(NS(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000130369189 280140476 /nfs/dbraw/zinc/14/04/76/280140476.db2.gz XMZLPQOTZUIDEY-GFCCVEGCSA-N 1 0 323.245 2.399 10 0 DEAERO O=C(c1ncccc1C(F)(F)F)N1CCC[N@@H+](C2CC2)CC1 ZINC000180072716 280242367 /nfs/dbraw/zinc/24/23/67/280242367.db2.gz AGLIGAIOICUCPW-UHFFFAOYSA-N 1 0 313.323 2.411 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000248413033 280379312 /nfs/dbraw/zinc/37/93/12/280379312.db2.gz KTGVITOJOMDUPM-DMRKSPOLSA-N 1 0 310.482 2.362 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccnc1Br ZINC000246140408 288312670 /nfs/dbraw/zinc/31/26/70/288312670.db2.gz XFTKYJIGORPUIJ-MNOVXSKESA-N 1 0 324.222 2.153 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)NCc1cscn1)c1cccc(F)c1 ZINC000051750054 281471627 /nfs/dbraw/zinc/47/16/27/281471627.db2.gz JVABBSJODXPTBJ-CQSZACIVSA-N 1 0 322.409 2.384 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000079920973 281594394 /nfs/dbraw/zinc/59/43/94/281594394.db2.gz KSTCTJPNVAPLSX-QGZVFWFLSA-N 1 0 319.405 2.046 10 0 DEAERO COc1ccccc1NCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119993832 281732661 /nfs/dbraw/zinc/73/26/61/281732661.db2.gz JTYNKIFDYNWNHL-UHFFFAOYSA-N 1 0 319.449 2.344 10 0 DEAERO CCN(C)C(=O)CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000130389246 281938701 /nfs/dbraw/zinc/93/87/01/281938701.db2.gz CAHXDAXCGPRTAS-UHFFFAOYSA-N 1 0 323.481 2.016 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000188956767 288870840 /nfs/dbraw/zinc/87/08/40/288870840.db2.gz AFFQPCJQJBQKIE-XJKSGUPXSA-N 1 0 306.406 2.381 10 0 DEAERO CN(C(=O)c1cc2n(n1)CCCC2)C(C)(C)C[NH+]1CCCC1 ZINC000416108532 288919918 /nfs/dbraw/zinc/91/99/18/288919918.db2.gz QDEYHKJDQXPMJT-UHFFFAOYSA-N 1 0 304.438 2.166 10 0 DEAERO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261879754 289328695 /nfs/dbraw/zinc/32/86/95/289328695.db2.gz UNJDDYCWUJWGQG-CPUCHLNUSA-N 1 0 315.461 2.412 10 0 DEAERO C[C@H](NCc1cocn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000192308118 289983349 /nfs/dbraw/zinc/98/33/49/289983349.db2.gz DKWWXGKRPHAQKZ-ZDUSSCGKSA-N 1 0 318.396 2.416 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000187275213 290022276 /nfs/dbraw/zinc/02/22/76/290022276.db2.gz CMYOTPMBPCYOKA-IAOVAPTHSA-N 1 0 323.458 2.320 10 0 DEAERO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261926518 290180796 /nfs/dbraw/zinc/18/07/96/290180796.db2.gz ZNKRRCWPHAZQTB-GRYCIOLGSA-N 1 0 312.360 2.318 10 0 DEAERO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000191954665 295295695 /nfs/dbraw/zinc/29/56/95/295295695.db2.gz QDECZRFCXFFWHL-WMLDXEAASA-N 1 0 320.433 2.153 10 0 DEAERO Cc1ccc([C@H]2CSCCN2C(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000262512134 301834673 /nfs/dbraw/zinc/83/46/73/301834673.db2.gz JSJCVVRVZFXXCD-CZUORRHYSA-N 1 0 304.459 2.467 10 0 DEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H](C)C[C@@H]1n1cncn1 ZINC000280715948 302675543 /nfs/dbraw/zinc/67/55/43/302675543.db2.gz BQTAJICGSSENBG-ATGSNQNLSA-N 1 0 315.425 2.032 10 0 DEAERO O=C1C[C@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)CN1C1CC1 ZINC000573330052 326046672 /nfs/dbraw/zinc/04/66/72/326046672.db2.gz CEJLLFWDVZQFDG-CYBMUJFWSA-N 1 0 324.371 2.431 10 0 DEAERO CCOc1ncccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000577253478 326352602 /nfs/dbraw/zinc/35/26/02/326352602.db2.gz JKMIVZHILWNOMV-UHFFFAOYSA-N 1 0 304.394 2.254 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000187837387 332989898 /nfs/dbraw/zinc/98/98/98/332989898.db2.gz XCHLBOJKQSIOMR-ILXRZTDVSA-N 1 0 312.479 2.382 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc3n[nH]nc32)[C@@H]1c1ccccc1 ZINC000188650934 333051157 /nfs/dbraw/zinc/05/11/57/333051157.db2.gz CWVIDUBXQWDRBB-WBVHZDCISA-N 1 0 321.384 2.133 10 0 DEAERO Cc1cc(CCNC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc(C)c1O ZINC000189488819 333093865 /nfs/dbraw/zinc/09/38/65/333093865.db2.gz MBOQTKRLKGTQEB-MRXNPFEDSA-N 1 0 319.449 2.193 10 0 DEAERO C/C=C\c1ccc(OCC(=O)N2CCC([NH2+]C)CC2)c(OC)c1 ZINC000582826007 337206054 /nfs/dbraw/zinc/20/60/54/337206054.db2.gz YQBAFGOKFOJUMM-PLNGDYQASA-N 1 0 318.417 2.318 10 0 DEAERO Fc1cncc(-c2c[nH]c3ncc(OC4CC[NH2+]CC4)nc23)c1 ZINC000584638788 337379711 /nfs/dbraw/zinc/37/97/11/337379711.db2.gz JHIWNUBLUMLDJQ-UHFFFAOYSA-N 1 0 313.336 2.290 10 0 DEAERO Fc1ncccc1-c1c[nH]c2ncc(OC3CC[NH2+]CC3)nc12 ZINC000584638814 337379739 /nfs/dbraw/zinc/37/97/39/337379739.db2.gz JZMIFYNCZWVYII-UHFFFAOYSA-N 1 0 313.336 2.290 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)Cn1ccnc1 ZINC000192512003 341872492 /nfs/dbraw/zinc/87/24/92/341872492.db2.gz ZKJIYHFDVNQOSR-LBPRGKRZSA-N 1 0 316.430 2.222 10 0 DEAERO CC1(C)CN(CC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000178622436 341960207 /nfs/dbraw/zinc/96/02/07/341960207.db2.gz ZYDQQXZYSBHAMD-UHFFFAOYSA-N 1 0 314.433 2.277 10 0 DEAERO COC[C@@](C)(O)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000547659426 500625818 /nfs/dbraw/zinc/62/58/18/500625818.db2.gz HQRYSWIIWMXCQY-KBPBESRZSA-N 1 0 318.339 2.465 10 0 DEAERO COc1ccc(O)cc1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000188942796 534211680 /nfs/dbraw/zinc/21/16/80/534211680.db2.gz GHKPKUHLMFPZFV-CYBMUJFWSA-N 1 0 306.406 2.251 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(Cl)ccc1N(C)CCS(C)(=O)=O ZINC000164777236 517771759 /nfs/dbraw/zinc/77/17/59/517771759.db2.gz XEGJGSLTBHPWAD-CYBMUJFWSA-N 1 0 318.870 2.101 10 0 DEAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000328646145 534318247 /nfs/dbraw/zinc/31/82/47/534318247.db2.gz SKPAQHFYWPKKOQ-MEDUHNTESA-N 1 0 318.446 2.233 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCOCc2ccccc2)[C@@H](C)C1 ZINC000155652917 519695394 /nfs/dbraw/zinc/69/53/94/519695394.db2.gz PIGQAHSCSCEJON-RDJZCZTQSA-N 1 0 304.434 2.438 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC000237064134 520008075 /nfs/dbraw/zinc/00/80/75/520008075.db2.gz RXWONPKTYWUGNI-HIFRSBDPSA-N 1 0 306.406 2.319 10 0 DEAERO O=C(NCCc1cccc(F)c1F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417610278 534468767 /nfs/dbraw/zinc/46/87/67/534468767.db2.gz MYIFXPIIIHGNDS-QGZVFWFLSA-N 1 0 323.387 2.292 10 0 DEAERO CCC[C@H](C(=O)NC[C@H](C)Oc1ccccc1OC)[NH+](C)C ZINC000162332969 520980419 /nfs/dbraw/zinc/98/04/19/520980419.db2.gz KCLCTFDTRKUUKZ-UONOGXRCSA-N 1 0 308.422 2.309 10 0 DEAERO Cc1nnc([C@@H]2CCCCN2C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)[nH]1 ZINC000328703920 534552505 /nfs/dbraw/zinc/55/25/05/534552505.db2.gz YCDVQXBSZSHOBP-OBJOEFQTSA-N 1 0 305.426 2.040 10 0 DEAERO CCCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2cnccn2)n1 ZINC000070456313 521381555 /nfs/dbraw/zinc/38/15/55/521381555.db2.gz DWBZLIKYXVSKQW-CYBMUJFWSA-N 1 0 312.421 2.298 10 0 DEAERO C[NH2+]CC1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000237098742 521977461 /nfs/dbraw/zinc/97/74/61/521977461.db2.gz ZSRSTBJKZHAHEZ-UHFFFAOYSA-N 1 0 318.442 2.460 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000365292627 522091810 /nfs/dbraw/zinc/09/18/10/522091810.db2.gz QAQQHBFWIBHKOV-KRWDZBQOSA-N 1 0 314.429 2.301 10 0 DEAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000363804549 522188058 /nfs/dbraw/zinc/18/80/58/522188058.db2.gz VUYJJLIRJQHIPC-TZMCWYRMSA-N 1 0 304.438 2.268 10 0 DEAERO CCc1nc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cs1 ZINC000115824662 522329736 /nfs/dbraw/zinc/32/97/36/522329736.db2.gz KQQDCKOVVXDOBN-LBPRGKRZSA-N 1 0 310.467 2.189 10 0 DEAERO CCc1nc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cs1 ZINC000115824659 522331397 /nfs/dbraw/zinc/33/13/97/522331397.db2.gz KQQDCKOVVXDOBN-GFCCVEGCSA-N 1 0 310.467 2.189 10 0 DEAERO CCc1nc(CNC(=O)NC[C@@H]2CCCC[N@H+]2CC)cs1 ZINC000111498296 522334193 /nfs/dbraw/zinc/33/41/93/522334193.db2.gz SYGVGWPSRNDBMQ-ZDUSSCGKSA-N 1 0 310.467 2.379 10 0 DEAERO COC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)C(C)C ZINC000157234962 522751500 /nfs/dbraw/zinc/75/15/00/522751500.db2.gz NCXKSLUVZQXAKU-UXLLHSPISA-N 1 0 321.465 2.456 10 0 DEAERO COCCCNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157434609 523338368 /nfs/dbraw/zinc/33/83/68/523338368.db2.gz NJPDNEKANDNMFD-SFHVURJKSA-N 1 0 319.449 2.377 10 0 DEAERO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157608234 523346777 /nfs/dbraw/zinc/34/67/77/523346777.db2.gz PUEPZOLLLWQKBL-TZMCWYRMSA-N 1 0 324.469 2.138 10 0 DEAERO CO[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000237076321 523530190 /nfs/dbraw/zinc/53/01/90/523530190.db2.gz UQTURJLGWQWHSH-CABCVRRESA-N 1 0 306.381 2.019 10 0 DEAERO CCc1ccc(C(=O)CCC(=O)N2CCC([NH2+]C)CC2)cc1 ZINC000237131222 523876985 /nfs/dbraw/zinc/87/69/85/523876985.db2.gz WFFFMSTYQAEAJZ-UHFFFAOYSA-N 1 0 302.418 2.422 10 0 DEAERO COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1F ZINC000246597039 523966134 /nfs/dbraw/zinc/96/61/34/523966134.db2.gz IVKANMHVZYSPLT-IMJJTQAJSA-N 1 0 320.408 2.414 10 0 DEAERO CCc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1F ZINC000245987686 523980568 /nfs/dbraw/zinc/98/05/68/523980568.db2.gz CPGHOBOVCCDMFB-OLZOCXBDSA-N 1 0 323.412 2.307 10 0 DEAERO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000246884545 524235887 /nfs/dbraw/zinc/23/58/87/524235887.db2.gz GECMXJKJOREQJV-AESZEHBQSA-N 1 0 318.465 2.293 10 0 DEAERO Cc1cc(C)cc(OCCCN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000105912047 524445385 /nfs/dbraw/zinc/44/53/85/524445385.db2.gz PYXGSKRNQVNDFM-QZTJIDSGSA-N 1 0 320.477 2.459 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc2c(c1)OCCO2 ZINC000364247670 524686306 /nfs/dbraw/zinc/68/63/06/524686306.db2.gz XYHDGICPLDPOOP-ZFWWWQNUSA-N 1 0 316.401 2.157 10 0 DEAERO Cc1cc(F)ccc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000157228824 524964998 /nfs/dbraw/zinc/96/49/98/524964998.db2.gz KVTRKENVCXUZMG-AWEZNQCLSA-N 1 0 322.424 2.299 10 0 DEAERO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CSC(=O)N1)c1ccccc1 ZINC000155776268 525275289 /nfs/dbraw/zinc/27/52/89/525275289.db2.gz FESGACUJDONZFV-WCQYABFASA-N 1 0 321.446 2.057 10 0 DEAERO Cc1c(C(=O)NC[C@H](C)C[NH3+])cnn1-c1ccccc1Cl ZINC000237587991 525624488 /nfs/dbraw/zinc/62/44/88/525624488.db2.gz GSWQOFWULUVSML-SNVBAGLBSA-N 1 0 306.797 2.159 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262261689 534909657 /nfs/dbraw/zinc/90/96/57/534909657.db2.gz JKUDLYFMWOMIDJ-KWOWKCNFSA-N 1 0 318.465 2.309 10 0 DEAERO O=C(CCC1CC[NH2+]CC1)N1CCO[C@@H](c2cccs2)C1 ZINC000155221986 526410004 /nfs/dbraw/zinc/41/00/04/526410004.db2.gz NMSIJHDYMILCSW-CQSZACIVSA-N 1 0 308.447 2.428 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cnc(-c3ccccn3)s2)CC1 ZINC000179141712 536439177 /nfs/dbraw/zinc/43/91/77/536439177.db2.gz NPRUGRSEMNHTKC-UHFFFAOYSA-N 1 0 302.403 2.029 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000246493582 536503980 /nfs/dbraw/zinc/50/39/80/536503980.db2.gz RJCJQXJTPRFDHE-RTXFEEFZSA-N 1 0 323.462 2.468 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)C1 ZINC000246238845 527369673 /nfs/dbraw/zinc/36/96/73/527369673.db2.gz IPPQUPCWLKSMFL-CFVMTHIKSA-N 1 0 305.397 2.038 10 0 DEAERO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443985628 528144287 /nfs/dbraw/zinc/14/42/87/528144287.db2.gz GXVHYDVJHLUCBD-MRVPVSSYSA-N 1 0 322.356 2.055 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)c2cc(O)ccc2OC)CC1 ZINC000189255378 528187150 /nfs/dbraw/zinc/18/71/50/528187150.db2.gz ZCPFJDYTMQVNNV-UHFFFAOYSA-N 1 0 306.406 2.253 10 0 DEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc3nnc(C(C)(C)C)n3n2)C1 ZINC000302569704 529059442 /nfs/dbraw/zinc/05/94/42/529059442.db2.gz OXOQILHTRCZWPF-GFCCVEGCSA-N 1 0 302.426 2.318 10 0 DEAERO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([C@H](O)C(N)=O)CC1 ZINC000299748218 529255188 /nfs/dbraw/zinc/25/51/88/529255188.db2.gz GLWKXVOUVCPSES-GJZGRUSLSA-N 1 0 310.825 2.349 10 0 DEAERO CC[C@H]1CN(c2nc(CC(C)C)ns2)CC[N@@H+]1C[C@@H](C)O ZINC000302311268 529302211 /nfs/dbraw/zinc/30/22/11/529302211.db2.gz SPKFAMNHONWWLJ-OLZOCXBDSA-N 1 0 312.483 2.018 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000261782123 534930209 /nfs/dbraw/zinc/93/02/09/534930209.db2.gz KGEFZPSYBJIKDP-CYBMUJFWSA-N 1 0 320.437 2.418 10 0 DEAERO CC(C)CN(C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)C1CC1 ZINC000248064606 535003748 /nfs/dbraw/zinc/00/37/48/535003748.db2.gz MDGJSSZKPFEURK-MAUKXSAKSA-N 1 0 308.466 2.260 10 0 DEAERO CCCOCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309916499 535229578 /nfs/dbraw/zinc/22/95/78/535229578.db2.gz OKPFBVGYDMLSFY-RCCFBDPRSA-N 1 0 316.445 2.440 10 0 DEAERO CCCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000191413827 535249695 /nfs/dbraw/zinc/24/96/95/535249695.db2.gz WPYRCZAWLJCVBK-ZDUSSCGKSA-N 1 0 306.406 2.308 10 0 DEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000261862042 535296620 /nfs/dbraw/zinc/29/66/20/535296620.db2.gz KKLNNVDSAHHAHM-MRXNPFEDSA-N 1 0 319.424 2.253 10 0 DEAERO CC(C)c1n[nH]cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000189440780 535326421 /nfs/dbraw/zinc/32/64/21/535326421.db2.gz JJAUXBOYBPSCDR-CQSZACIVSA-N 1 0 304.438 2.481 10 0 DEAERO CC1(C)CN(C(=O)C[C@H]2OCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000262017151 535335101 /nfs/dbraw/zinc/33/51/01/535335101.db2.gz OOAVDLPFCFSIIC-CVEARBPZSA-N 1 0 302.418 2.276 10 0 DEAERO CC(C)OC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CCO1 ZINC000368281353 535347769 /nfs/dbraw/zinc/34/77/69/535347769.db2.gz VNOLGOGMEKIQIR-INIZCTEOSA-N 1 0 320.433 2.014 10 0 DEAERO CC1(C)CN(C(=O)c2cnn(Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000262197001 535351574 /nfs/dbraw/zinc/35/15/74/535351574.db2.gz ZYYSYKRLCWNSAE-INIZCTEOSA-N 1 0 312.417 2.131 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@@H](OC)C2CC2)CC1 ZINC000454654402 535449643 /nfs/dbraw/zinc/44/96/43/535449643.db2.gz OGUNKQJFIHGOEU-CZUORRHYSA-N 1 0 311.470 2.221 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[N@H+](CC)C2)C1(C)C ZINC000247079206 535452252 /nfs/dbraw/zinc/45/22/52/535452252.db2.gz VIJNQHWPNOSAMW-SOUVJXGZSA-N 1 0 311.470 2.316 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246780567 535483921 /nfs/dbraw/zinc/48/39/21/535483921.db2.gz QTWMJXCJZGSUGK-XHSDSOJGSA-N 1 0 309.454 2.071 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](CC)N2CCCC2)C12CCOCC2 ZINC000248921570 535501577 /nfs/dbraw/zinc/50/15/77/535501577.db2.gz FDZPCJXFDFZXEN-IXDOHACOSA-N 1 0 310.482 2.425 10 0 DEAERO CCOc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246490957 535522740 /nfs/dbraw/zinc/52/27/40/535522740.db2.gz ANHVNIWMLQAQCT-LSDHHAIUSA-N 1 0 319.449 2.438 10 0 DEAERO CCOc1ccccc1NC(=O)[C@@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261758025 535531703 /nfs/dbraw/zinc/53/17/03/535531703.db2.gz LORHHMXNHUVFDJ-CJNGLKHVSA-N 1 0 319.449 2.472 10 0 DEAERO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000176902871 535596393 /nfs/dbraw/zinc/59/63/93/535596393.db2.gz RFSWDSRIEXUPMT-CPUCHLNUSA-N 1 0 320.433 2.024 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000193870784 535648481 /nfs/dbraw/zinc/64/84/81/535648481.db2.gz GLMVKHZDMMKWDF-STQMWFEESA-N 1 0 323.403 2.107 10 0 DEAERO CC[C@H](Oc1ccccc1C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263131020 536051984 /nfs/dbraw/zinc/05/19/84/536051984.db2.gz BRHGCWRGEWLRQL-KGLIPLIRSA-N 1 0 316.405 2.484 10 0 DEAERO CC[C@H](CC1CCCC1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000358802249 536088311 /nfs/dbraw/zinc/08/83/11/536088311.db2.gz BVXSDCMNPCJAKZ-QGZVFWFLSA-N 1 0 309.498 2.299 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccccc1OC ZINC000247055580 536166232 /nfs/dbraw/zinc/16/62/32/536166232.db2.gz WTOVJZDBOPZYMB-HOTGVXAUSA-N 1 0 302.418 2.323 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nc(C)ccc1OC ZINC000248719100 536167672 /nfs/dbraw/zinc/16/76/72/536167672.db2.gz CECWONHPTHESOJ-KBPBESRZSA-N 1 0 318.421 2.489 10 0 DEAERO C[N@@H+]1CCC[C@@H]1CCN1CCO[C@@H](COc2ccccc2)C1 ZINC000361981534 536371052 /nfs/dbraw/zinc/37/10/52/536371052.db2.gz BTNFZSISSOLCEP-SJLPKXTDSA-N 1 0 304.434 2.251 10 0 DEAERO C[N@H+](CCNC(=O)NCc1ccc2cc[nH]c2n1)C1CCCC1 ZINC000357728294 536381440 /nfs/dbraw/zinc/38/14/40/536381440.db2.gz JTHKQTPBWUUTCA-UHFFFAOYSA-N 1 0 315.421 2.237 10 0 DEAERO C[NH2+][C@H](C)CNS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000261802248 536402650 /nfs/dbraw/zinc/40/26/50/536402650.db2.gz RWUDSCCMBQZIJK-CYBMUJFWSA-N 1 0 312.479 2.487 10 0 DEAERO COC(=O)CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262099026 536446380 /nfs/dbraw/zinc/44/63/80/536446380.db2.gz CCSPUDSPPWNMOP-KFWWJZLASA-N 1 0 310.438 2.147 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2Cl)CC[C@H]1C ZINC000251903576 536730488 /nfs/dbraw/zinc/73/04/88/536730488.db2.gz RDSQIJBDQLDGSU-DVOMOZLQSA-N 1 0 313.825 2.437 10 0 DEAERO CO[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)N(C)C)CC[C@H]1C ZINC000249225248 536731940 /nfs/dbraw/zinc/73/19/40/536731940.db2.gz UWLRDJXDCIFIHM-RHSMWYFYSA-N 1 0 320.433 2.010 10 0 DEAERO COC(=O)[C@H](c1ccccc1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC000362808813 536759904 /nfs/dbraw/zinc/75/99/04/536759904.db2.gz MLDHCMBVJNUVCW-KRWDZBQOSA-N 1 0 318.417 2.091 10 0 DEAERO COc1cccc([C@@H](C)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000261713766 537137484 /nfs/dbraw/zinc/13/74/84/537137484.db2.gz GIZSHOUOWSHYQC-BMFZPTHFSA-N 1 0 302.418 2.257 10 0 DEAERO C[NH2+][C@@H]1CCCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000053203067 625396892 /nfs/dbraw/zinc/39/68/92/625396892.db2.gz ZCCHRZHOBZUEHC-QSYFUGGGSA-N 1 0 314.838 2.324 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000255632109 625572003 /nfs/dbraw/zinc/57/20/03/625572003.db2.gz PARUWCLXTIYWCT-BHEFUSTPSA-N 1 0 320.408 2.456 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CN(C)Cc2ccccc2)[C@H]1OC ZINC000309862498 625592373 /nfs/dbraw/zinc/59/23/73/625592373.db2.gz DPJAUGCUHCKHHD-DZJNRPSUSA-N 1 0 306.450 2.289 10 0 DEAERO COC[C@@H](C)NC(=S)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309907779 625596927 /nfs/dbraw/zinc/59/69/27/625596927.db2.gz QZYBHASBFBAYKC-UONOGXRCSA-N 1 0 309.479 2.006 10 0 DEAERO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)n1ccnc1 ZINC000309719484 625630381 /nfs/dbraw/zinc/63/03/81/625630381.db2.gz NDHAJLIVOBVUMT-BRWVUGGUSA-N 1 0 310.401 2.351 10 0 DEAERO CC(C)c1ccc([C@@H](C)[NH2+]CC2CN(S(C)(=O)=O)C2)cc1 ZINC000187639220 623934175 /nfs/dbraw/zinc/93/41/75/623934175.db2.gz BHLOURFUGFGSMJ-CYBMUJFWSA-N 1 0 310.463 2.352 10 0 DEAERO COc1cccc(CC(=O)N2CC[NH+]([C@@H](C)C3CC3)CC2)c1 ZINC000074766955 624167061 /nfs/dbraw/zinc/16/70/61/624167061.db2.gz FVIHMFREWVHMFX-AWEZNQCLSA-N 1 0 302.418 2.180 10 0 DEAERO OCC[NH+]1CCN(c2nc(-c3ccco3)nc3ccccc32)CC1 ZINC000096195966 625705362 /nfs/dbraw/zinc/70/53/62/625705362.db2.gz MYCCGHBJSCHBJV-UHFFFAOYSA-N 1 0 324.384 2.004 10 0 DEAERO C[C@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000049646075 624907511 /nfs/dbraw/zinc/90/75/11/624907511.db2.gz MSQKNZWPBXMYJM-GXFFZTMASA-N 1 0 302.827 2.072 10 0 DEAERO C[NH2+]CCc1noc(-c2cc(F)cc(Br)c2)n1 ZINC000051850904 624936241 /nfs/dbraw/zinc/93/62/41/624936241.db2.gz CZLCDGRJUUKQAP-UHFFFAOYSA-N 1 0 300.131 2.400 10 0 DEAERO c1cc(C[NH2+]C[C@H]2CCO[C@@H]2c2cn[nH]c2)n(-c2ccccc2)n1 ZINC000888078103 625057390 /nfs/dbraw/zinc/05/73/90/625057390.db2.gz OYWNXHJLBATMHK-KDOFPFPSSA-N 1 0 323.400 2.463 10 0 DEAERO CCOCc1ccccc1-c1noc([C@H]2OCC[C@H]2C[NH3+])n1 ZINC000888078266 625058314 /nfs/dbraw/zinc/05/83/14/625058314.db2.gz FIJJQXXYYBVEMK-FZMZJTMJSA-N 1 0 303.362 2.309 10 0 DEAERO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC(=O)OC1CCCCC1 ZINC000161522896 625110182 /nfs/dbraw/zinc/11/01/82/625110182.db2.gz CGDZLUKLBFBNNH-CABCVRRESA-N 1 0 310.438 2.276 10 0 DEAERO Cc1cc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)c(C)s1 ZINC000052899195 625119689 /nfs/dbraw/zinc/11/96/89/625119689.db2.gz AZZUWOJFKVVTIZ-UHFFFAOYSA-N 1 0 324.471 2.345 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)O[C@@H]3CCO[C@@H]3C)cc2)CC1 ZINC000187744502 625928098 /nfs/dbraw/zinc/92/80/98/625928098.db2.gz CYVNRSBDYDSTLG-RHSMWYFYSA-N 1 0 318.417 2.163 10 0 DEAERO C[NH+]=C(NCc1ccc(Br)cc1OC)NC1CC1 ZINC000186009362 632984454 /nfs/dbraw/zinc/98/44/54/632984454.db2.gz SZVKCWVXUJIFOB-UHFFFAOYSA-N 1 0 312.211 2.285 10 0 DEAERO C[C@](O)(C[NH2+]Cc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000734004142 633309344 /nfs/dbraw/zinc/30/93/44/633309344.db2.gz PYUUYULYEKOXRY-SFHVURJKSA-N 1 0 308.385 2.265 10 0 DEAERO CCCn1cc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cn1 ZINC000227758049 634277656 /nfs/dbraw/zinc/27/76/56/634277656.db2.gz YUGKZTXXSXUHPU-VOTSOKGWSA-N 1 0 308.426 2.464 10 0 DEAERO Cc1c(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000090201215 635999159 /nfs/dbraw/zinc/99/91/59/635999159.db2.gz MQNQCPPTISPURD-AWEZNQCLSA-N 1 0 308.426 2.218 10 0 DEAERO COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@@H](C)CN2CCOCC2)c1 ZINC000248465106 636203985 /nfs/dbraw/zinc/20/39/85/636203985.db2.gz YZVFLWLQKOXRFS-JQFCIGGWSA-N 1 0 319.401 2.063 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000178964854 637527544 /nfs/dbraw/zinc/52/75/44/637527544.db2.gz BQAVFRVUISEMHB-BPKFXHHPSA-N 1 0 312.410 2.233 10 0 DEAERO c1cn(-c2ncccc2C[NH2+]Cc2ccc3[nH]cnc3c2)cn1 ZINC000727466469 637953600 /nfs/dbraw/zinc/95/36/00/637953600.db2.gz UCJHKFHFNVYSDG-UHFFFAOYSA-N 1 0 304.357 2.433 10 0 DEAERO C[C@H](CO)C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000751579743 639096215 /nfs/dbraw/zinc/09/62/15/639096215.db2.gz IDBIYSRSKDPHIZ-GWCFXTLKSA-N 1 0 302.212 2.043 10 0 DEAERO COC(=O)/C(C)=C/C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000752344591 639173606 /nfs/dbraw/zinc/17/36/06/639173606.db2.gz GCUMJUGHKMSVCN-YBYKNVHQSA-N 1 0 303.402 2.439 10 0 DEAERO O[C@@H](C[NH+]1CCC(Nc2ccccn2)CC1)CC(F)(F)F ZINC000526057020 639568911 /nfs/dbraw/zinc/56/89/11/639568911.db2.gz WMZFXXZKQSTCOO-GFCCVEGCSA-N 1 0 303.328 2.271 10 0 DEAERO Cc1nc2c(nccc2C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[nH]1 ZINC000435453448 642204080 /nfs/dbraw/zinc/20/40/80/642204080.db2.gz TUVOBETVTVHEEG-ZDUSSCGKSA-N 1 0 317.437 2.363 10 0 DEAERO C[C@H](CNC(=O)NC1(CCO)CCCCC1)[NH+]1CCCCC1 ZINC000802012682 645473936 /nfs/dbraw/zinc/47/39/36/645473936.db2.gz MODVMANNBYIYIN-OAHLLOKOSA-N 1 0 311.470 2.245 10 0 DEAERO O=C(Nc1ccnc(CO)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000802570883 645534848 /nfs/dbraw/zinc/53/48/48/645534848.db2.gz ZSZPLPCBHDNQMT-UHFFFAOYSA-N 1 0 311.385 2.422 10 0 DEAERO CCNC(=O)N1CC[C@H]([NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806148926 645803390 /nfs/dbraw/zinc/80/33/90/645803390.db2.gz ZPAYBDGIERNDBD-JQWIXIFHSA-N 1 0 308.813 2.116 10 0 DEAERO O=C(Nc1cnn([C@@H]2CCCCO2)c1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000912570497 646105811 /nfs/dbraw/zinc/10/58/11/646105811.db2.gz SZRISAMUERHJSS-JKSUJKDBSA-N 1 0 318.421 2.395 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1csnn1 ZINC000224875751 646524019 /nfs/dbraw/zinc/52/40/19/646524019.db2.gz LWQYQOLTHLMKOM-CMPLNLGQSA-N 1 0 312.439 2.321 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1csnn1 ZINC000224875675 646524170 /nfs/dbraw/zinc/52/41/70/646524170.db2.gz LWQYQOLTHLMKOM-JQWIXIFHSA-N 1 0 312.439 2.321 10 0 DEAERO CC(=O)N(C)C1CC[NH+](C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000075676034 646603217 /nfs/dbraw/zinc/60/32/17/646603217.db2.gz QMTVOZRBPTZUPK-GOSISDBHSA-N 1 0 304.434 2.280 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)O ZINC000227658694 646605133 /nfs/dbraw/zinc/60/51/33/646605133.db2.gz REXWJDJTTCBQLO-CHWSQXEVSA-N 1 0 300.443 2.383 10 0 DEAERO COC(=O)[C@@H]1C[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1C ZINC000227750662 646606463 /nfs/dbraw/zinc/60/64/63/646606463.db2.gz URJMECGNHORJOO-GXSJLCMTSA-N 1 0 311.765 2.310 10 0 DEAERO Cc1sc(C[NH2+]C[C@@H]2CN(C)CCO2)cc1Br ZINC000227841187 646608215 /nfs/dbraw/zinc/60/82/15/646608215.db2.gz DXCDSEWYQCZVBS-SNVBAGLBSA-N 1 0 319.268 2.239 10 0 DEAERO C[C@@H](CO)CCC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000228291706 646623040 /nfs/dbraw/zinc/62/30/40/646623040.db2.gz YIWMLLXYAZQDDY-ZIAGYGMSSA-N 1 0 300.443 2.384 10 0 DEAERO C[N@@H+]1CC[C@H]2C[NH+](C/C=C\c3ccc(F)cc3)C[C@@]2(C(=O)[O-])C1 ZINC000229850076 646703593 /nfs/dbraw/zinc/70/35/93/646703593.db2.gz RIRFLUOLNQJVAP-BVBZKVNYSA-N 1 0 318.392 2.177 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)NCC2CCCCCCC2)CCO1 ZINC000172126101 646723834 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[NH3+][C@@H]1CC[C@H](C(=O)N2CCC(OCCc3ccccc3)CC2)C1 ZINC000237953542 648449179 /nfs/dbraw/zinc/44/91/79/648449179.db2.gz ALIWJMDSAVMHNJ-DLBZAZTESA-N 1 0 316.445 2.364 10 0 DEAERO CCCOCCOC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000180047577 648451667 /nfs/dbraw/zinc/45/16/67/648451667.db2.gz DYVPHFOJZZFALR-UHFFFAOYSA-N 1 0 320.433 2.412 10 0 DEAERO O[C@@H](C[NH2+][C@H]1COc2ccccc21)COCc1cccs1 ZINC000070529740 648943241 /nfs/dbraw/zinc/94/32/41/648943241.db2.gz WBQUMRLSDUQZLV-WFASDCNBSA-N 1 0 305.399 2.349 10 0 DEAERO CNC(=O)[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)C(C)C ZINC000183672093 649131283 /nfs/dbraw/zinc/13/12/83/649131283.db2.gz QSIKNGJNQULIRT-CQSZACIVSA-N 1 0 323.462 2.321 10 0 DEAERO CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C[C@H](O)C[NH3+] ZINC000072407999 649410836 /nfs/dbraw/zinc/41/08/36/649410836.db2.gz YCKODPYWKOOCCA-HNNXBMFYSA-N 1 0 314.385 2.147 10 0 DEAERO O=C1CCCN1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000113245502 651675870 /nfs/dbraw/zinc/67/58/70/651675870.db2.gz AHQHIPKFOBMYNA-UHFFFAOYSA-N 1 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685436166 /nfs/dbraw/zinc/43/61/66/685436166.db2.gz BMMFJJJOGFXARF-JSGCOSHPSA-N 1 0 308.426 2.155 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000391017312 685443956 /nfs/dbraw/zinc/44/39/56/685443956.db2.gz ZBXMLPCOBRUTCY-QAPCUYQASA-N 1 0 311.433 2.231 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cccnc2Cl)[C@H](C)C1 ZINC000081096885 683988581 /nfs/dbraw/zinc/98/85/81/683988581.db2.gz KJYYAICUUZEYNA-TZMCWYRMSA-N 1 0 324.856 2.336 10 0 DEAERO COCC[N@@H+]1CCN(Cn2cnc3cc(C)c(C)cc32)C[C@H]1C ZINC000117322987 684068363 /nfs/dbraw/zinc/06/83/63/684068363.db2.gz YAUNQGZFUKBEDT-MRXNPFEDSA-N 1 0 316.449 2.263 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000119334399 684080092 /nfs/dbraw/zinc/08/00/92/684080092.db2.gz YIMOOSXSAPEQFJ-FUHWJXTLSA-N 1 0 314.433 2.341 10 0 DEAERO CCCn1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cn1 ZINC000120877042 684102058 /nfs/dbraw/zinc/10/20/58/684102058.db2.gz UANRMTFXIOEGRB-ZFWWWQNUSA-N 1 0 307.442 2.487 10 0 DEAERO C[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1cccc2ccccc21 ZINC000187643086 684341636 /nfs/dbraw/zinc/34/16/36/684341636.db2.gz AVIGMPSKTORYEV-ZDUSSCGKSA-N 1 0 318.442 2.382 10 0 DEAERO COC[C@@H](C)C[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000189633184 684385104 /nfs/dbraw/zinc/38/51/04/684385104.db2.gz GMGMECMAJXEBSN-HNNXBMFYSA-N 1 0 306.406 2.223 10 0 DEAERO C[N@H+](Cc1cc(=O)oc2cc3c(cc12)CCC3)CC1(CO)CC1 ZINC000190016113 684394753 /nfs/dbraw/zinc/39/47/53/684394753.db2.gz XSAOBOGCMOOIBP-UHFFFAOYSA-N 1 0 313.397 2.486 10 0 DEAERO C[C@@H]1CN=C(N2CC[NH+](C[C@H](O)C3CCCCC3)CC2)S1 ZINC000190895576 684417216 /nfs/dbraw/zinc/41/72/16/684417216.db2.gz VOLUXEUBBFBPLY-HIFRSBDPSA-N 1 0 311.495 2.037 10 0 DEAERO CCc1nnc(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)o1 ZINC000191913659 684438800 /nfs/dbraw/zinc/43/88/00/684438800.db2.gz ZYCZJACGDSUSQK-NWDGAFQWSA-N 1 0 324.425 2.415 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2coc(C3CCC3)n2)C1 ZINC000192584517 684453141 /nfs/dbraw/zinc/45/31/41/684453141.db2.gz VAVLXOBWVYKBSP-CQSZACIVSA-N 1 0 322.405 2.456 10 0 DEAERO Cc1nn(C)c(C)c1CN1CCN(c2cccc(Cl)n2)CC1 ZINC000194061083 685055313 /nfs/dbraw/zinc/05/53/13/685055313.db2.gz YKBOZCCOWWSRNJ-UHFFFAOYSA-N 1 0 319.840 2.408 10 0 DEAERO Cn1cc(/C=C\C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000207972952 685102403 /nfs/dbraw/zinc/10/24/03/685102403.db2.gz PQRLWWAYKYGWOR-HJWRWDBZSA-N 1 0 324.428 2.346 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCS2(=O)=O)C1(CC)CC ZINC000245939660 685120987 /nfs/dbraw/zinc/12/09/87/685120987.db2.gz UQEIAJKONDAWDD-HZSPNIEDSA-N 1 0 303.468 2.137 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc2c(c1)CCC2 ZINC000247111677 685142385 /nfs/dbraw/zinc/14/23/85/685142385.db2.gz ISJIJDZPTYPTLL-PBHICJAKSA-N 1 0 314.429 2.249 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@H]2COc3ccccc32)C1 ZINC000247249623 685144674 /nfs/dbraw/zinc/14/46/74/685144674.db2.gz QCMSMLACRHDFKD-HOCLYGCPSA-N 1 0 319.401 2.063 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCc3ccccc32)C1 ZINC000247371864 685147168 /nfs/dbraw/zinc/14/71/68/685147168.db2.gz PFEXKIVWJRLRFR-HLLBOEOZSA-N 1 0 315.461 2.283 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CN1C[C@H](CC(C)(C)C)OC1=O ZINC000248925081 685171203 /nfs/dbraw/zinc/17/12/03/685171203.db2.gz LMCFDTAHHDQKEX-ILXRZTDVSA-N 1 0 309.454 2.369 10 0 DEAERO CO[C@@H]1C[N@H+](CC/C=C\c2ccccc2)C[C@H]1c1cn(C)nn1 ZINC000886071827 691997620 /nfs/dbraw/zinc/99/76/20/691997620.db2.gz AMFQSHUDZWYCSB-XUWXIZSHSA-N 1 0 312.417 2.333 10 0 DEAERO CO[C@@](C)(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1CC1 ZINC000724036122 777225783 /nfs/dbraw/zinc/22/57/83/777225783.db2.gz KBCRLPZANAHFMT-VHSXEESVSA-N 1 0 305.287 2.340 10 0 DEAERO C[C@](O)(C[N@@H+]1CC[C@@H](O)C(C)(C)C1)C(F)(F)C(F)(F)F ZINC000724041307 777228324 /nfs/dbraw/zinc/22/83/24/777228324.db2.gz NIGHVYFYRFAAHE-SCZZXKLOSA-N 1 0 305.287 2.028 10 0 DEAERO C[N@H+](C[C@H]1CCCOC1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724112193 777243068 /nfs/dbraw/zinc/24/30/68/777243068.db2.gz TUADOAHNPNBFPP-ZJUUUORDSA-N 1 0 305.287 2.293 10 0 DEAERO COc1ccc(Br)c(C[NH2+][C@H]2CC23CC(O)C3)c1 ZINC000724943864 777530871 /nfs/dbraw/zinc/53/08/71/777530871.db2.gz AJVVHTUMBMCJGX-AWAWDMARSA-N 1 0 312.207 2.461 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2sccc2Br)C1 ZINC000718425339 777606230 /nfs/dbraw/zinc/60/62/30/777606230.db2.gz HVYSZJISWHATQK-UHFFFAOYSA-N 1 0 303.225 2.254 10 0 DEAERO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000722268334 778556030 /nfs/dbraw/zinc/55/60/30/778556030.db2.gz XWLGZPBBBNJGJJ-RBSFLKMASA-N 1 0 311.470 2.316 10 0 DEAERO NC(=O)c1csc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000722402701 778707717 /nfs/dbraw/zinc/70/77/17/778707717.db2.gz JLUBCPZLUNYECA-WCBMZHEXSA-N 1 0 308.325 2.047 10 0 DEAERO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000722503464 778744931 /nfs/dbraw/zinc/74/49/31/778744931.db2.gz UWAWDMGSDUCDDY-GXTWGEPZSA-N 1 0 322.405 2.464 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)c2c(C)sc(C)c2C)CC1 ZINC000722564689 778783554 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C[C@](O)(C[NH2+]CC1(C)CCOCC1)C(F)(F)C(F)(F)F ZINC000724038228 787346465 /nfs/dbraw/zinc/34/64/65/787346465.db2.gz XZEZCKZCTUDTID-JTQLQIEISA-N 1 0 305.287 2.341 10 0 DEAERO C[N@H+](CCOCC1CC1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724112641 787349918 /nfs/dbraw/zinc/34/99/18/787349918.db2.gz VQOOQFWNCYHWTO-SNVBAGLBSA-N 1 0 305.287 2.293 10 0 DEAERO CC(C)(C)C[C@H](CO)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724115610 787350296 /nfs/dbraw/zinc/35/02/96/787350296.db2.gz SEZDJNWJDBEREH-PSASIEDQSA-N 1 0 307.303 2.322 10 0 DEAERO Cn1cc(C[NH2+][C@H]2COc3ccccc3C2)c(Br)n1 ZINC000712395584 792185538 /nfs/dbraw/zinc/18/55/38/792185538.db2.gz XDFLTSAUKWYWBX-GFCCVEGCSA-N 1 0 322.206 2.276 10 0 DEAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc(Br)s2)C1 ZINC000713049787 792211978 /nfs/dbraw/zinc/21/19/78/792211978.db2.gz CQJGVFLVERTFTF-JOAULVNJSA-N 1 0 315.236 2.254 10 0 DEAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000714248695 792306550 /nfs/dbraw/zinc/30/65/50/792306550.db2.gz NZWZTDYJILTZOR-HAQNSBGRSA-N 1 0 318.236 2.114 10 0 DEAERO CC(C)(C[NH3+])C1CCN(c2ncc(Br)cn2)CC1 ZINC000714390738 792319281 /nfs/dbraw/zinc/31/92/81/792319281.db2.gz GTKFSSUJNIQSIB-UHFFFAOYSA-N 1 0 313.243 2.440 10 0 DEAERO CSCC1CCC([NH2+]CC[C@@H]2CCCS2(=O)=O)CC1 ZINC000714385268 792319786 /nfs/dbraw/zinc/31/97/86/792319786.db2.gz PYXOTGYKOBHEQZ-RUXDESIVSA-N 1 0 305.509 2.465 10 0 DEAERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1cnccn1 ZINC000715068771 792379772 /nfs/dbraw/zinc/37/97/72/792379772.db2.gz ZBYXGZKYLWSHBF-PNESKVBLSA-N 1 0 306.410 2.431 10 0 DEAERO COc1cccc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)n1 ZINC000715081291 792382258 /nfs/dbraw/zinc/38/22/58/792382258.db2.gz OIJQLPRHMOBUFI-UHFFFAOYSA-N 1 0 321.421 2.483 10 0 DEAERO [NH3+]C1CC(CNC(=O)c2cc(F)ccc2Br)C1 ZINC000715107924 792382805 /nfs/dbraw/zinc/38/28/05/792382805.db2.gz NKACXSZBPFAWQF-UHFFFAOYSA-N 1 0 301.159 2.055 10 0 DEAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715120488 792384670 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2.027 10 0 DEAERO OCC(F)(F)CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716683948 793002288 /nfs/dbraw/zinc/00/22/88/793002288.db2.gz UVQAYIYCIJRJJP-XHSDSOJGSA-N 1 0 310.388 2.257 10 0 DEAERO NC(=O)C1CC([NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000716769300 793006203 /nfs/dbraw/zinc/00/62/03/793006203.db2.gz INOKEQUVMALPRI-UHFFFAOYSA-N 1 0 319.149 2.081 10 0 DEAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000716830991 793008142 /nfs/dbraw/zinc/00/81/42/793008142.db2.gz QBLWRRREUCVFOZ-GHMZBOCLSA-N 1 0 319.854 2.383 10 0 DEAERO CC[C@H](C[C@H](C)O)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000716855221 793009616 /nfs/dbraw/zinc/00/96/16/793009616.db2.gz VXOJRGNRLCFVKG-XQQFMLRXSA-N 1 0 301.814 2.219 10 0 DEAERO CC[C@H](C[C@@H](C)O)[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000716852743 793009643 /nfs/dbraw/zinc/00/96/43/793009643.db2.gz NKMQHCKBRMBFSW-BNOWGMLFSA-N 1 0 301.814 2.219 10 0 DEAERO CC[C@H](C[C@@H](C)O)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000716855217 793010352 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Cc1c(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000401717218 801845336 /nfs/dbraw/zinc/84/53/36/801845336.db2.gz YTOAYCSSIFFGPI-WFASDCNBSA-N 1 0 322.453 2.464 10 0 DEAERO C[C@@H](CO)[C@H](C)[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401776412 801850051 /nfs/dbraw/zinc/85/00/51/801850051.db2.gz SOLCIQBIWDJGKV-RFGFWPKPSA-N 1 0 300.443 2.238 10 0 DEAERO C[C@H](CCC1CC1)[NH2+]Cc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000186305574 802040261 /nfs/dbraw/zinc/04/02/61/802040261.db2.gz LKGSULWTKZJRQB-XIKOKIGWSA-N 1 0 315.417 2.410 10 0 DEAERO Cc1ccc2c(C[N@@H+](C)C3CCS(=O)CC3)cc(=O)oc2c1 ZINC000081099487 1081043143 /nfs/dbraw/zinc/04/31/43/1081043143.db2.gz VTAKDYIHRGOMPC-UHFFFAOYSA-N 1 0 319.426 2.444 10 0 DEAERO CC(C)=CC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717947110 1081844876 /nfs/dbraw/zinc/84/48/76/1081844876.db2.gz VKJAAAXEHLWTCW-UHFFFAOYSA-N 1 0 316.445 2.486 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000089091988 1081899193 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C[C@@H]1[C@H]([NH3+])CCCN1C(=O)/C=C/c1ccc(Br)o1 ZINC000700616973 1086323521 /nfs/dbraw/zinc/32/35/21/1086323521.db2.gz XYOBXDKDUYOGTG-RCKQQEMXSA-N 1 0 313.195 2.394 10 0 DEAERO C[C@H]([NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)[C@H]1CCCCO1 ZINC000703289518 1086492065 /nfs/dbraw/zinc/49/20/65/1086492065.db2.gz IPFHIHQPNSICER-RWMBFGLXSA-N 1 0 300.399 2.085 10 0 DEAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc(F)c(Cl)cc1F)C2 ZINC000703611718 1086526234 /nfs/dbraw/zinc/52/62/34/1086526234.db2.gz KRUNLMBJDZYKHX-RMLUDKJBSA-N 1 0 300.736 2.300 10 0 DEAERO CCOC1CCC([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000703808502 1086553405 /nfs/dbraw/zinc/55/34/05/1086553405.db2.gz OVXXUKAJKSYQNN-MOKVOYLWSA-N 1 0 314.426 2.475 10 0 DEAERO COC[C@H](C)OC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000704405064 1086579445 /nfs/dbraw/zinc/57/94/45/1086579445.db2.gz OBPINPPBUCUPOZ-IJEWVQPXSA-N 1 0 306.406 2.268 10 0 DEAERO CC[C@@H]1[C@@H]([NH2+]C2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000704653749 1086586123 /nfs/dbraw/zinc/58/61/23/1086586123.db2.gz BKFGXDMETBHKAJ-LSDHHAIUSA-N 1 0 311.470 2.458 10 0 DEAERO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1cccc(S(N)(=O)=O)c1 ZINC000704789092 1086591400 /nfs/dbraw/zinc/59/14/00/1086591400.db2.gz BEEBLIGRXJMZLW-NEPJUHHUSA-N 1 0 314.476 2.128 10 0 DEAERO C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000705216334 1086607228 /nfs/dbraw/zinc/60/72/28/1086607228.db2.gz DVGOGHFFSAFQBC-HZSPNIEDSA-N 1 0 310.438 2.401 10 0 DEAERO CN(CCOCC[NH2+]Cc1ccccn1)C(=O)OC(C)(C)C ZINC000705902327 1086628192 /nfs/dbraw/zinc/62/81/92/1086628192.db2.gz FDGUKOMGYLLMRI-UHFFFAOYSA-N 1 0 309.410 2.055 10 0 DEAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1cn[nH]c1 ZINC000706560807 1086642308 /nfs/dbraw/zinc/64/23/08/1086642308.db2.gz IRAASLKNZBKKCH-FZWSLVFFSA-N 1 0 306.410 2.460 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)C12CCC2 ZINC000707495137 1086674543 /nfs/dbraw/zinc/67/45/43/1086674543.db2.gz RVCBUBSWRYBFMA-XJFOESAGSA-N 1 0 310.438 2.183 10 0 DEAERO CCc1ccc(S(=O)(=O)N(C)CCCCCC[NH3+])s1 ZINC000710684157 1086688524 /nfs/dbraw/zinc/68/85/24/1086688524.db2.gz UPTXJMITKYYWKW-UHFFFAOYSA-N 1 0 304.481 2.450 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]CCN2CCCCCC2)C1 ZINC000710835470 1086689273 /nfs/dbraw/zinc/68/92/73/1086689273.db2.gz CVAXGSMQFXDBIJ-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO COC1(OC)CC[C@@H]1NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000710995320 1086692437 /nfs/dbraw/zinc/69/24/37/1086692437.db2.gz MHXNXDGKDGPPJZ-NXHRZFHOSA-N 1 0 318.461 2.496 10 0 DEAERO Cn1cc(C[NH2+]C[C@H]2CCC3(CCC3)O2)c(Br)n1 ZINC000711403709 1087088166 /nfs/dbraw/zinc/08/81/66/1087088166.db2.gz SGEZHMNFTXVKJF-LLVKDONJSA-N 1 0 314.227 2.374 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000711651107 1087186485 /nfs/dbraw/zinc/18/64/85/1087186485.db2.gz QXMANCLIWXHFRE-KBPBESRZSA-N 1 0 314.838 2.211 10 0 DEAERO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cccc(Br)c1 ZINC000711655433 1087189140 /nfs/dbraw/zinc/18/91/40/1087189140.db2.gz SLOQEPVUIIZPEI-JSGCOSHPSA-N 1 0 309.207 2.464 10 0 DEAERO [NH3+]C1CC(Cc2nc(-c3cncc(Br)c3)no2)C1 ZINC000718124555 1088222732 /nfs/dbraw/zinc/22/27/32/1088222732.db2.gz CXVBJGJOORNXEU-UHFFFAOYSA-N 1 0 309.167 2.174 10 0 DEAERO Cn1ncc(Cl)c1C[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720342005 1088285781 /nfs/dbraw/zinc/28/57/81/1088285781.db2.gz RPWUYRSJMGAOOL-UHFFFAOYSA-N 1 0 307.650 2.335 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000718536573 1088585967 /nfs/dbraw/zinc/58/59/67/1088585967.db2.gz LGHODBMOKBURCU-UHFFFAOYSA-N 1 0 315.186 2.332 10 0 DEAERO Cc1nc(C[NH2+]CC2(CCO)CC2)sc1Br ZINC000719274157 1088916580 /nfs/dbraw/zinc/91/65/80/1088916580.db2.gz MATPXZQQDVEVJO-UHFFFAOYSA-N 1 0 305.241 2.466 10 0 DEAERO CO[C@]1(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)CCSC1 ZINC000719322424 1088952702 /nfs/dbraw/zinc/95/27/02/1088952702.db2.gz DCEQTLRKAUNTQO-KBPBESRZSA-N 1 0 303.374 2.110 10 0 DEAERO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)c(N)c(Cl)c2)CC[N@@H+]1C ZINC000719391753 1089082675 /nfs/dbraw/zinc/08/26/75/1089082675.db2.gz IRFRERKUNJPENT-HQJQHLMTSA-N 1 0 302.205 2.398 10 0 DEAERO C[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CCN1C ZINC000719597136 1089317959 /nfs/dbraw/zinc/31/79/59/1089317959.db2.gz DIEYEGJVDKUYIS-LEOABGAYSA-N 1 0 323.481 2.457 10 0 DEAERO c1cc2cc(-c3nc([C@H]4C[NH+]5CCC4CC5)no3)cnc2cn1 ZINC000350081272 1143030667 /nfs/dbraw/zinc/03/06/67/1143030667.db2.gz YZZHHXBSCRLDKQ-AWEZNQCLSA-N 1 0 307.357 2.489 10 0 DEAERO COCCOCCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389799143 1144610351 /nfs/dbraw/zinc/61/03/51/1144610351.db2.gz AVQTVUQNYXKZSM-FUHWJXTLSA-N 1 0 306.450 2.150 10 0 DEAERO CC(C)(C)S(=O)(=O)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000081767898 192321826 /nfs/dbraw/zinc/32/18/26/192321826.db2.gz XRZJSIRFLDMGEA-AWEZNQCLSA-N 1 0 302.484 2.359 10 0 DEAERO CN(C)c1nnc(S[C@@H]2COc3ccccc3[C@@H]2[NH3+])s1 ZINC000081769340 192322345 /nfs/dbraw/zinc/32/23/45/192322345.db2.gz GGEMDFAHLRWWQW-MNOVXSKESA-N 1 0 308.432 2.157 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1SCCS(C)(=O)=O ZINC000081768887 192323192 /nfs/dbraw/zinc/32/31/92/192323192.db2.gz KWPFSCMEIFBMJX-GJZGRUSLSA-N 1 0 313.488 2.430 10 0 DEAERO CC[NH2+][C@H](CSCC(=O)OC)c1ccc(OC)cc1OC ZINC000081793168 192323770 /nfs/dbraw/zinc/32/37/70/192323770.db2.gz NGUJIGMVECKJFE-CYBMUJFWSA-N 1 0 313.419 2.261 10 0 DEAERO CCOCc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000139565389 282101636 /nfs/dbraw/zinc/10/16/36/282101636.db2.gz KISLZLCYDAYRDW-INIZCTEOSA-N 1 0 305.422 2.117 10 0 DEAERO COCC[NH+]1CCC(NC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000140206364 282102191 /nfs/dbraw/zinc/10/21/91/282102191.db2.gz HODOXWZYJHJHJE-UHFFFAOYSA-N 1 0 323.412 2.078 10 0 DEAERO CCn1c(=O)[nH]nc1S[C@@H](C)[C@@H]([NH2+]C)c1ccc(C)cc1 ZINC000081882125 192334004 /nfs/dbraw/zinc/33/40/04/192334004.db2.gz BHVDEWZRXIABEH-WCQYABFASA-N 1 0 306.435 2.341 10 0 DEAERO CCC[NH2+]Cc1cc(Cl)ccc1N(C)C[C@H](O)COC ZINC000162315671 197558612 /nfs/dbraw/zinc/55/86/12/197558612.db2.gz LJTWPMXXRVOMPD-AWEZNQCLSA-N 1 0 300.830 2.283 10 0 DEAERO C[C@H](NC(=O)N(C)C[C@H]1CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248401661 299071005 /nfs/dbraw/zinc/07/10/05/299071005.db2.gz MERPJDFTNKSQIW-YQQAZPJKSA-N 1 0 323.481 2.460 10 0 DEAERO CN(C(=O)c1cccc(N2CC[NH+](C)CC2)n1)c1ccccc1 ZINC000096780313 185387388 /nfs/dbraw/zinc/38/73/88/185387388.db2.gz CMOAMZSZXAULSL-UHFFFAOYSA-N 1 0 310.401 2.110 10 0 DEAERO COCC[NH+](CCOC)Cc1ccc(N)c(Br)c1 ZINC000078896972 185124925 /nfs/dbraw/zinc/12/49/25/185124925.db2.gz NLQXEEGNYNYNJV-UHFFFAOYSA-N 1 0 317.227 2.126 10 0 DEAERO COC(=O)[C@@H](C)CN(C)C(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079291326 185163504 /nfs/dbraw/zinc/16/35/04/185163504.db2.gz JMAHWUYWKBZKRE-QWHCGFSZSA-N 1 0 300.443 2.045 10 0 DEAERO C[C@H](C(=O)Cc1cc(Br)cc2c1OCC2)C1C[NH2+]C1 ZINC000164889130 197666357 /nfs/dbraw/zinc/66/63/57/197666357.db2.gz QQIKESAOPASJCT-VIFPVBQESA-N 1 0 324.218 2.351 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000278715999 214349726 /nfs/dbraw/zinc/34/97/26/214349726.db2.gz GZVAHUFFNBPKJS-UHFFFAOYSA-N 1 0 317.433 2.226 10 0 DEAERO C[C@]1(C(=O)NCc2ccc(OC(F)(F)F)cc2)CCC[NH2+]1 ZINC000079519893 185173847 /nfs/dbraw/zinc/17/38/47/185173847.db2.gz RKFZCOPWUOUXLB-CYBMUJFWSA-N 1 0 302.296 2.344 10 0 DEAERO C[N@@H+]1CCC[C@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000082311635 185175150 /nfs/dbraw/zinc/17/51/50/185175150.db2.gz VWXPLNJYNJHVCH-OAHLLOKOSA-N 1 0 319.424 2.206 10 0 DEAERO C[NH2+][C@](C)(CO)CCSc1ncccc1Br ZINC000082905360 185209551 /nfs/dbraw/zinc/20/95/51/185209551.db2.gz SFSUFYRWQQZCSV-NSHDSACASA-N 1 0 305.241 2.297 10 0 DEAERO C[C@H](C[C@](C)(O)C[NH3+])Sc1ncccc1Br ZINC000082917604 185209622 /nfs/dbraw/zinc/20/96/22/185209622.db2.gz PZRJZDUUUSXISD-KCJUWKMLSA-N 1 0 305.241 2.425 10 0 DEAERO CN(Cc1cc(Br)cs1)C[C@@]1([NH3+])CCOC1 ZINC000082986641 185210442 /nfs/dbraw/zinc/21/04/42/185210442.db2.gz SDYCYIUZHLFHBO-NSHDSACASA-N 1 0 305.241 2.060 10 0 DEAERO C[C@@H]1CN(c2cccc(I)c2)CC[NH2+]1 ZINC000083061323 185212324 /nfs/dbraw/zinc/21/23/24/185212324.db2.gz VDURCNIVPAKKHK-SECBINFHSA-N 1 0 302.159 2.089 10 0 DEAERO CC[C@@H](C[NH3+])NC(=O)c1cc(Br)cn1C1CC1 ZINC000087385779 185223440 /nfs/dbraw/zinc/22/34/40/185223440.db2.gz LBJOTTMDXVCHBH-VIFPVBQESA-N 1 0 300.200 2.053 10 0 DEAERO CC(C)[C@H](C[NH3+])NC(=O)c1cc(F)cc(Br)c1 ZINC000087403557 185223772 /nfs/dbraw/zinc/22/37/72/185223772.db2.gz AGZLZFCRWNBCIH-NSHDSACASA-N 1 0 303.175 2.301 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000087455300 185225690 /nfs/dbraw/zinc/22/56/90/185225690.db2.gz QWMVMVALRJFXNG-SNVBAGLBSA-N 1 0 308.451 2.240 10 0 DEAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000087519952 185227579 /nfs/dbraw/zinc/22/75/79/185227579.db2.gz YOPFIWWRAPRHPK-SNVBAGLBSA-N 1 0 307.785 2.090 10 0 DEAERO CC(C)([NH3+])C(C)(C)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000087628028 185229436 /nfs/dbraw/zinc/22/94/36/185229436.db2.gz WHLBOKMCLLHNIG-CHWSQXEVSA-N 1 0 314.495 2.263 10 0 DEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000087683473 185230395 /nfs/dbraw/zinc/23/03/95/185230395.db2.gz LQQKIBWXKWROIX-NEPJUHHUSA-N 1 0 312.435 2.182 10 0 DEAERO COCCN(C(=O)[C@H](C)CCC[C@@H](C)[NH3+])[C@@H]1CCSC1 ZINC000087696043 185230670 /nfs/dbraw/zinc/23/06/70/185230670.db2.gz HQKPHJJTANQIHV-MGPQQGTHSA-N 1 0 302.484 2.121 10 0 DEAERO COc1ccc([C@@H]([NH3+])CC(C)(C)C(N)=O)cc1Br ZINC000087722114 185230998 /nfs/dbraw/zinc/23/09/98/185230998.db2.gz QEOZPAMRZFBELE-JTQLQIEISA-N 1 0 315.211 2.359 10 0 DEAERO COc1ccc(Br)c(C[C@@H]([NH3+])c2ccncn2)c1 ZINC000087795550 185232255 /nfs/dbraw/zinc/23/22/55/185232255.db2.gz IMHLESGUYCBLRR-GFCCVEGCSA-N 1 0 308.179 2.490 10 0 DEAERO COc1ccc(Br)cc1C[C@@]1(C[NH3+])CCC[C@H]1O ZINC000087931875 185237577 /nfs/dbraw/zinc/23/75/77/185237577.db2.gz YXWAYQFVPBIXDV-ZIAGYGMSSA-N 1 0 314.223 2.490 10 0 DEAERO [NH3+]C[C@H](NC[C@@H]1CCCO1)c1ccccc1OC(F)(F)F ZINC000087928559 185237762 /nfs/dbraw/zinc/23/77/62/185237762.db2.gz PXOMHDBGJNOACU-JQWIXIFHSA-N 1 0 304.312 2.354 10 0 DEAERO COCCC[C@@H]([NH3+])CNCc1sccc1Br ZINC000088006186 185238125 /nfs/dbraw/zinc/23/81/25/185238125.db2.gz OYKXPHPKRVGRBB-SECBINFHSA-N 1 0 307.257 2.354 10 0 DEAERO O=S(=O)(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000088056699 185238465 /nfs/dbraw/zinc/23/84/65/185238465.db2.gz UDQKNFAXZNTCFJ-MRXNPFEDSA-N 1 0 302.399 2.457 10 0 DEAERO CC[NH2+][C@H]1CCN(c2ccc(Br)c(F)c2)C1=O ZINC000088084422 185239064 /nfs/dbraw/zinc/23/90/64/185239064.db2.gz QDFQEBHDUVGMHJ-NSHDSACASA-N 1 0 301.159 2.303 10 0 DEAERO C[C@@H](CC[NH3+])S(=O)(=O)Cc1ccccc1Br ZINC000088088101 185239376 /nfs/dbraw/zinc/23/93/76/185239376.db2.gz XCUJJFYCYUIKHJ-VIFPVBQESA-N 1 0 306.225 2.101 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(F)c(Br)c1)[C@@H]1COCCO1 ZINC000087857734 185233705 /nfs/dbraw/zinc/23/37/05/185233705.db2.gz HUXNILFQKCCKDL-STQMWFEESA-N 1 0 318.186 2.134 10 0 DEAERO C[C@H](C[NH3+])C[S@](=O)Cc1ccc(F)cc1Br ZINC000088089541 185239461 /nfs/dbraw/zinc/23/94/61/185239461.db2.gz QJYNHQKPCHCRSH-VPTHRUTESA-N 1 0 308.216 2.432 10 0 DEAERO NNc1nc(NC[C@@H]2C[C@H]3CC[C@@H]2C3)c(Br)c[nH+]1 ZINC000087877540 185234238 /nfs/dbraw/zinc/23/42/38/185234238.db2.gz GZZBQKMCGCWGFS-YIZRAAEISA-N 1 0 312.215 2.373 10 0 DEAERO C[NH2+][C@H]1CCN(c2c(F)cc(Br)cc2F)C1=O ZINC000088171602 185240898 /nfs/dbraw/zinc/24/08/98/185240898.db2.gz HJGSOTXJFZIOOP-VIFPVBQESA-N 1 0 305.122 2.052 10 0 DEAERO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000328934981 231391809 /nfs/dbraw/zinc/39/18/09/231391809.db2.gz FKVMHDLWVFCGGT-ONIAQPFYSA-N 1 0 319.449 2.125 10 0 DEAERO O=[S@@](Cc1cc(Br)ccc1F)CC1C[NH2+]C1 ZINC000088090805 185239606 /nfs/dbraw/zinc/23/96/06/185239606.db2.gz QUPSJBLEIWLUIQ-INIZCTEOSA-N 1 0 306.200 2.056 10 0 DEAERO O=[S@@](Cc1ccc(F)cc1Br)CC1C[NH2+]C1 ZINC000088090641 185239659 /nfs/dbraw/zinc/23/96/59/185239659.db2.gz YUUIZZJWSXGSRC-INIZCTEOSA-N 1 0 306.200 2.056 10 0 DEAERO CC[C@@H](C[NH3+])S(=O)(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000088471906 185251956 /nfs/dbraw/zinc/25/19/56/185251956.db2.gz ASVDHEULBKBTQO-OMBAJQCTSA-N 1 0 314.495 2.248 10 0 DEAERO CCN[C@@H](CC[NH+]1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC000088435615 185250250 /nfs/dbraw/zinc/25/02/50/185250250.db2.gz NRMQGCBGBLMSSZ-LBPRGKRZSA-N 1 0 310.360 2.192 10 0 DEAERO CCN[C@](C)(CC[NH+]1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000088435590 185250326 /nfs/dbraw/zinc/25/03/26/185250326.db2.gz SQQBETFIJDVGJP-CYBMUJFWSA-N 1 0 310.360 2.192 10 0 DEAERO [NH3+][C@@H](C(=O)Nc1ncccc1Br)c1ccccc1 ZINC000088447161 185251246 /nfs/dbraw/zinc/25/12/46/185251246.db2.gz AYYRVBIIUBYVIU-LLVKDONJSA-N 1 0 306.163 2.483 10 0 DEAERO CC[C@@H](C)CN(C)S(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088543750 185256791 /nfs/dbraw/zinc/25/67/91/185256791.db2.gz PRFCZSAXVGLQAR-GFCCVEGCSA-N 1 0 302.440 2.444 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)o1 ZINC000088543499 185256952 /nfs/dbraw/zinc/25/69/52/185256952.db2.gz ZSHGKLIRROXAKE-GFCCVEGCSA-N 1 0 300.424 2.198 10 0 DEAERO C[C@@H]1CCCCC[C@@H]1NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000088516012 185254727 /nfs/dbraw/zinc/25/47/27/185254727.db2.gz DJKKRIPAYXBIJQ-HIFRSBDPSA-N 1 0 302.484 2.264 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)o1 ZINC000088540908 185255909 /nfs/dbraw/zinc/25/59/09/185255909.db2.gz JZNVSBUZXPCGEP-QWRGUYRKSA-N 1 0 300.424 2.102 10 0 DEAERO CC(C)C[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088542299 185256326 /nfs/dbraw/zinc/25/63/26/185256326.db2.gz SWZOCRUWJOQAMM-LBPRGKRZSA-N 1 0 302.440 2.491 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)o1 ZINC000088543157 185256399 /nfs/dbraw/zinc/25/63/99/185256399.db2.gz LSQCCQLJDVZDFY-LBPRGKRZSA-N 1 0 308.403 2.347 10 0 DEAERO CCCC1CCN(S(=O)(=O)c2ccc(C[NH2+]C)o2)CC1 ZINC000088544016 185256688 /nfs/dbraw/zinc/25/66/88/185256688.db2.gz AMEJGBHFFFLQKB-UHFFFAOYSA-N 1 0 300.424 2.200 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)o1 ZINC000088551570 185257527 /nfs/dbraw/zinc/25/75/27/185257527.db2.gz QFRHJTPFZRTYDH-OCCSQVGLSA-N 1 0 312.435 2.342 10 0 DEAERO Cc1nc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)sc1C ZINC000088598672 185259122 /nfs/dbraw/zinc/25/91/22/185259122.db2.gz KIDIGMJGIGZSMG-MRXNPFEDSA-N 1 0 322.522 2.362 10 0 DEAERO CCc1nc(CC)n(-c2ncc(Br)cc2C[NH2+]C)n1 ZINC000088743811 185263614 /nfs/dbraw/zinc/26/36/14/185263614.db2.gz IQKZVHXAAAQLGR-UHFFFAOYSA-N 1 0 324.226 2.269 10 0 DEAERO CN1C(=O)C[C@@H]([NH2+]Cc2cc(-c3cccs3)cs2)C1=O ZINC000088774585 185265419 /nfs/dbraw/zinc/26/54/19/185265419.db2.gz LHJATFXDXLYNBW-LLVKDONJSA-N 1 0 306.412 2.324 10 0 DEAERO C[NH2+][C@@H](CCC(F)(F)F)c1ccc2c(c1)n(C)c(=O)n2C ZINC000088833549 185266504 /nfs/dbraw/zinc/26/65/04/185266504.db2.gz RFABTDDETATTJC-JTQLQIEISA-N 1 0 301.312 2.480 10 0 DEAERO CC(C)[C@@H]1CCCN1S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000088845423 185266880 /nfs/dbraw/zinc/26/68/80/185266880.db2.gz IVNDBXCVIZULKA-HNNXBMFYSA-N 1 0 308.447 2.141 10 0 DEAERO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C(N)=S)c1 ZINC000088836973 185266885 /nfs/dbraw/zinc/26/68/85/185266885.db2.gz XXHWFMYQAZXKFC-AWEZNQCLSA-N 1 0 305.447 2.380 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1S(=O)(=O)CCCOC ZINC000081985830 192349382 /nfs/dbraw/zinc/34/93/82/192349382.db2.gz DGGVSDUCEWDXIM-KFWWJZLASA-N 1 0 305.484 2.385 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000088716888 185263137 /nfs/dbraw/zinc/26/31/37/185263137.db2.gz FZVTZVIKGGPGQU-CQSZACIVSA-N 1 0 308.447 2.148 10 0 DEAERO CCCN(c1ccccc1S(=O)(=O)C(F)(F)F)C1C[NH2+]C1 ZINC000090294208 185289865 /nfs/dbraw/zinc/28/98/65/185289865.db2.gz QAANVXUCSPZEID-UHFFFAOYSA-N 1 0 322.352 2.168 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000090293336 185289870 /nfs/dbraw/zinc/28/98/70/185289870.db2.gz WQUDWBADWVSHHG-UHFFFAOYSA-N 1 0 322.352 2.078 10 0 DEAERO Fc1ccc(Br)cc1-n1cc(C[NH2+]C2CC2)nn1 ZINC000090300049 185289968 /nfs/dbraw/zinc/28/99/68/185289968.db2.gz LDPXPUAIWYOGPS-UHFFFAOYSA-N 1 0 311.158 2.421 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1cccc(Cl)c1Cl ZINC000090311557 185290532 /nfs/dbraw/zinc/29/05/32/185290532.db2.gz XBGZFPPHEKBYTG-FOGDFJRCSA-N 1 0 303.189 2.228 10 0 DEAERO O=C(c1ccc(F)c(C(F)(F)F)c1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090320670 185290917 /nfs/dbraw/zinc/29/09/17/185290917.db2.gz CVIZVRIMGYGZKP-UWVGGRQHSA-N 1 0 302.271 2.136 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000090330260 185291220 /nfs/dbraw/zinc/29/12/20/185291220.db2.gz VOMNRHMWMURQFZ-VHSKPIJISA-N 1 0 302.205 2.392 10 0 DEAERO C[C@@H]1OCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@H]1C ZINC000179259974 282221579 /nfs/dbraw/zinc/22/15/79/282221579.db2.gz WDBPVGRITHZDFY-XJNFMUPTSA-N 1 0 317.433 2.251 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000090489302 185298757 /nfs/dbraw/zinc/29/87/57/185298757.db2.gz SNVWUETZPMFFMM-TUKIKUTGSA-N 1 0 310.825 2.012 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000090489288 185298802 /nfs/dbraw/zinc/29/88/02/185298802.db2.gz WCKLZIRZWIKLST-NILFDRSVSA-N 1 0 308.447 2.210 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000090487254 185298804 /nfs/dbraw/zinc/29/88/04/185298804.db2.gz FXWVFECOSOVMOK-BXKDBHETSA-N 1 0 302.296 2.268 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1CN(C)Cc1cccc(Br)c1 ZINC000090438775 185296515 /nfs/dbraw/zinc/29/65/15/185296515.db2.gz KAFPWTDLBRROKE-TZMCWYRMSA-N 1 0 313.239 2.115 10 0 DEAERO Cc1ccc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])c(Br)c1 ZINC000090580189 185304982 /nfs/dbraw/zinc/30/49/82/185304982.db2.gz KOLSQVAFSHXDLP-DGCLKSJQSA-N 1 0 313.195 2.060 10 0 DEAERO C[C@@]1(C(=O)Nc2cc(Cl)cc3cccnc32)COC[C@@H]1[NH3+] ZINC000090585362 185305208 /nfs/dbraw/zinc/30/52/08/185305208.db2.gz BIBSTIDOIDKIJV-SWLSCSKDSA-N 1 0 305.765 2.191 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(Cl)c3ncccc23)COC[C@H]1[NH3+] ZINC000090588955 185305412 /nfs/dbraw/zinc/30/54/12/185305412.db2.gz FMFDPSNHDSRVHH-IUODEOHRSA-N 1 0 305.765 2.191 10 0 DEAERO CCCCN(CC(F)(F)F)C(=O)[C@H]1COC[C@@H]1[NH2+]CCC ZINC000090541948 185301899 /nfs/dbraw/zinc/30/18/99/185301899.db2.gz AFWKEEFRWHHMNX-RYUDHWBXSA-N 1 0 310.360 2.192 10 0 DEAERO Brc1cncnc1N1CC[NH2+]CC12CCCCC2 ZINC000090781788 185311776 /nfs/dbraw/zinc/31/17/76/185311776.db2.gz WUQZCTHXBOGDHU-UHFFFAOYSA-N 1 0 311.227 2.352 10 0 DEAERO Brc1cncnc1N1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000090782647 185311868 /nfs/dbraw/zinc/31/18/68/185311868.db2.gz LMDDIQFLDIXXMV-JTQLQIEISA-N 1 0 311.227 2.208 10 0 DEAERO Brc1cncnc1N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000090781703 185311930 /nfs/dbraw/zinc/31/19/30/185311930.db2.gz SOVUSCFZCGMGMQ-RYUDHWBXSA-N 1 0 311.227 2.350 10 0 DEAERO CCc1nn(CC)c(C[NH2+][C@H](CO)C(C)C)c1Br ZINC000092400133 185315878 /nfs/dbraw/zinc/31/58/78/185315878.db2.gz XUGGTIZTHPOADU-LLVKDONJSA-N 1 0 318.259 2.334 10 0 DEAERO Cc1nn(C)c(C)c1CNc1[nH+]c(C)cc(C)c1C(N)=S ZINC000092331159 185312650 /nfs/dbraw/zinc/31/26/50/185312650.db2.gz RCCHIHSLLGXAJQ-UHFFFAOYSA-N 1 0 303.435 2.295 10 0 DEAERO CC1(C)C(CNS(=O)(=O)CC[C@H]2CCCC[NH2+]2)C1(C)C ZINC000092820290 185343961 /nfs/dbraw/zinc/34/39/61/185343961.db2.gz VJVNEAYHYOVITN-GFCCVEGCSA-N 1 0 302.484 2.120 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)NCC2([NH+](C)C)CCCC2)no1 ZINC000442437322 529712127 /nfs/dbraw/zinc/71/21/27/529712127.db2.gz KRFRWAAKFJEFSR-UHFFFAOYSA-N 1 0 323.441 2.041 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2cccc([S@](C)=O)c2)CC1 ZINC000613796054 362211371 /nfs/dbraw/zinc/21/13/71/362211371.db2.gz YBJLIFZJONUMLJ-QFIPXVFZSA-N 1 0 322.474 2.276 10 0 DEAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)c1cccs1 ZINC000092911499 185348530 /nfs/dbraw/zinc/34/85/30/185348530.db2.gz FOMAYDKIZYFFIX-HIFRSBDPSA-N 1 0 323.439 2.416 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092955925 185350439 /nfs/dbraw/zinc/35/04/39/185350439.db2.gz SBQPOYGGFWMIGM-MWLCHTKSSA-N 1 0 310.419 2.478 10 0 DEAERO Cc1cc(C)nc(SCC[C@]([NH3+])(CO)c2ccccc2)n1 ZINC000168438198 197722836 /nfs/dbraw/zinc/72/28/36/197722836.db2.gz VBBBZJHRMCRHMB-INIZCTEOSA-N 1 0 303.431 2.422 10 0 DEAERO CC(C)Cn1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)cn1 ZINC000181467478 199302126 /nfs/dbraw/zinc/30/21/26/199302126.db2.gz WXAKZZZHBKKXFW-UHFFFAOYSA-N 1 0 306.454 2.389 10 0 DEAERO Cc1oc(C[NH2+]C(C)C)cc1S(=O)(=O)NC1(C)CCC1 ZINC000168597279 197725560 /nfs/dbraw/zinc/72/55/60/197725560.db2.gz FHCGULROJHQLJU-UHFFFAOYSA-N 1 0 300.424 2.307 10 0 DEAERO O=C1CC[C@@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)N1 ZINC000079926775 539375448 /nfs/dbraw/zinc/37/54/48/539375448.db2.gz LXIRHAIGCPSEAL-LBPRGKRZSA-N 1 0 305.378 2.317 10 0 DEAERO COc1cc(C[C@H]2[C@H](O)C3CC[NH+]2CC3)ccc1OC(C)C ZINC000169966631 197762602 /nfs/dbraw/zinc/76/26/02/197762602.db2.gz XCEDCTHOFMVHPW-MAUKXSAKSA-N 1 0 305.418 2.480 10 0 DEAERO C[NH+](C)CCCN1C[C@H](C(=O)Nc2ccccc2Cl)CC1=O ZINC000170557222 197779214 /nfs/dbraw/zinc/77/92/14/197779214.db2.gz AAJBZXLAPRDJBD-GFCCVEGCSA-N 1 0 323.824 2.079 10 0 DEAERO CC(C)(C)OC(=O)[C@H]1CCN(c2cc(N3CCCC3)ncn2)C1 ZINC000192331405 282342450 /nfs/dbraw/zinc/34/24/50/282342450.db2.gz PGFJPVBTZSPQDY-ZDUSSCGKSA-N 1 0 318.421 2.245 10 0 DEAERO C[C@H](NC(=O)N1CCOCC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000376866777 299110094 /nfs/dbraw/zinc/11/00/94/299110094.db2.gz MVQGQBKNBLTQOM-JYJNAYRXSA-N 1 0 323.481 2.460 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(c3ncnc4c3ncn4C3CC3)CC[C@@H]21 ZINC000292647893 530058754 /nfs/dbraw/zinc/05/87/54/530058754.db2.gz GJQCVXLVFMQUKM-OCCSQVGLSA-N 1 0 312.421 2.082 10 0 DEAERO CN(Cc1ccccc1F)C(=O)NCCCC[NH+]1CCOCC1 ZINC000193755072 282355881 /nfs/dbraw/zinc/35/58/81/282355881.db2.gz VKVLYCLLGQFDID-UHFFFAOYSA-N 1 0 323.412 2.080 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)ccc1Br ZINC000194722270 530063819 /nfs/dbraw/zinc/06/38/19/530063819.db2.gz RNRKROMRCBGRPY-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO C[N@H+](CC1(CO)COC1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000089124664 282381027 /nfs/dbraw/zinc/38/10/27/282381027.db2.gz PHLWZZXVUWLDMH-QGZVFWFLSA-N 1 0 316.376 2.251 10 0 DEAERO Cc1ccc(NC(=O)COC2(C)C[NH2+]C2)cc1C(F)(F)F ZINC000098060634 539435875 /nfs/dbraw/zinc/43/58/75/539435875.db2.gz PDEUAKBZTQTCFA-UHFFFAOYSA-N 1 0 302.296 2.331 10 0 DEAERO CC1(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)C[NH2+]C1 ZINC000098060807 539436037 /nfs/dbraw/zinc/43/60/37/539436037.db2.gz XRKLSYWZAMNMIS-UHFFFAOYSA-N 1 0 306.259 2.162 10 0 DEAERO CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)NC(N)=O ZINC000181720435 199343724 /nfs/dbraw/zinc/34/37/24/199343724.db2.gz MTHRDLNUDMOEOU-CQSZACIVSA-N 1 0 321.421 2.347 10 0 DEAERO CC(C)[C@@H]1CCc2ccccc2N1C[C@@H](O)CN1CCOCC1 ZINC000245600178 282399746 /nfs/dbraw/zinc/39/97/46/282399746.db2.gz FHXWCHUVXOYQTA-ROUUACIJSA-N 1 0 318.461 2.157 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)CCCO2 ZINC000125478141 539472556 /nfs/dbraw/zinc/47/25/56/539472556.db2.gz CYCPGQZTZYDUFY-FUHWJXTLSA-N 1 0 321.417 2.288 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(OCC(F)F)ccn1 ZINC000181803885 199354086 /nfs/dbraw/zinc/35/40/86/199354086.db2.gz BNKSUZPPIDEVGO-LLVKDONJSA-N 1 0 315.364 2.186 10 0 DEAERO [NH3+]Cc1ccc(Br)cc1N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111392756 185591591 /nfs/dbraw/zinc/59/15/91/185591591.db2.gz LNKQIUHBXSPGCA-FUNVUKJBSA-N 1 0 311.223 2.400 10 0 DEAERO CCCn1cc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)cn1 ZINC000136037564 539517357 /nfs/dbraw/zinc/51/73/57/539517357.db2.gz XBASHNPXBUIJCI-UHFFFAOYSA-N 1 0 306.454 2.468 10 0 DEAERO CC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000111713688 185628698 /nfs/dbraw/zinc/62/86/98/185628698.db2.gz ZEUOYYNUZUWIHR-QWHCGFSZSA-N 1 0 316.492 2.455 10 0 DEAERO CCC[NH2+]C[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000111719559 185630610 /nfs/dbraw/zinc/63/06/10/185630610.db2.gz AFVQOQRSEQRGHM-MRXNPFEDSA-N 1 0 310.463 2.228 10 0 DEAERO COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1OC(F)F ZINC000151332543 539527394 /nfs/dbraw/zinc/52/73/94/539527394.db2.gz JNJQXOJKMHDSRJ-MNOVXSKESA-N 1 0 314.332 2.040 10 0 DEAERO c1ccc(Cc2nnc(N3CC[N@@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000181891212 199364605 /nfs/dbraw/zinc/36/46/05/199364605.db2.gz SPOUATFOSQEZNG-CQSZACIVSA-N 1 0 300.431 2.413 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC000181971722 199370036 /nfs/dbraw/zinc/37/00/36/199370036.db2.gz ZCEWSLBHNYQRET-HNNXBMFYSA-N 1 0 315.797 2.004 10 0 DEAERO c1ccc2cc(C[NH+]3CCN(c4nccnn4)CC3)ccc2c1 ZINC000625636035 365856596 /nfs/dbraw/zinc/85/65/96/365856596.db2.gz PCYNMTRVHDWGLU-UHFFFAOYSA-N 1 0 305.385 2.347 10 0 DEAERO CCOc1ccc(OC[C@H](O)C[NH+]2[C@H](C)CC(O)C[C@H]2C)cc1 ZINC000248829900 282530785 /nfs/dbraw/zinc/53/07/85/282530785.db2.gz LHPBWDWTPLPOEK-IIAWOOMASA-N 1 0 323.433 2.059 10 0 DEAERO [NH3+]Cc1cc(C(=O)Cc2ccc(Br)cn2)ccn1 ZINC000123599364 185824231 /nfs/dbraw/zinc/82/42/31/185824231.db2.gz GZQJZPNRXDIHAM-UHFFFAOYSA-N 1 0 306.163 2.123 10 0 DEAERO O[C@H](C[NH2+]C1CC1)COCc1ccc(Br)cc1 ZINC000123836419 185846683 /nfs/dbraw/zinc/84/66/83/185846683.db2.gz PWPYFTWZJVRRCK-CYBMUJFWSA-N 1 0 300.196 2.079 10 0 DEAERO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)C(C)(C)S(C)(=O)=O ZINC000070128756 190860632 /nfs/dbraw/zinc/86/06/32/190860632.db2.gz SOEBZUIDVYQSJW-CQSZACIVSA-N 1 0 315.435 2.178 10 0 DEAERO CC(C)([NH3+])CCC(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000070087603 190857558 /nfs/dbraw/zinc/85/75/58/190857558.db2.gz PXZMGHMRKDDEMY-QWHCGFSZSA-N 1 0 300.468 2.017 10 0 DEAERO C[C@@H]1CC[C@H](C[NH3+])CN1S(=O)(=O)c1cccc(Cl)c1 ZINC000070181103 190869138 /nfs/dbraw/zinc/86/91/38/190869138.db2.gz LFSOYGYNZWHCCX-GHMZBOCLSA-N 1 0 302.827 2.088 10 0 DEAERO CSc1nnc(CCC[NH2+][C@H]2CCCOC2)n1CC(C)C ZINC000165702871 539608399 /nfs/dbraw/zinc/60/83/99/539608399.db2.gz BCHMHLDSVIHMIA-ZDUSSCGKSA-N 1 0 312.483 2.357 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)[C@H](C)CO ZINC000167066953 539610962 /nfs/dbraw/zinc/61/09/62/539610962.db2.gz GQORDZGTFVLTEZ-MXWKQRLJSA-N 1 0 322.232 2.340 10 0 DEAERO Cc1cnn([C@H]2CCCN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)C2)c1 ZINC000168370085 539611839 /nfs/dbraw/zinc/61/18/39/539611839.db2.gz NFMPQXFNAWUQEQ-FUHWJXTLSA-N 1 0 324.428 2.242 10 0 DEAERO CC(C)(C)OC(=O)Nc1cccc([C@H]2C[NH2+]CCN2C(N)=O)c1 ZINC000616638762 362902045 /nfs/dbraw/zinc/90/20/45/362902045.db2.gz HEQIOQYRRGBTNF-CYBMUJFWSA-N 1 0 320.393 2.059 10 0 DEAERO C[NH2+][C@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2)C1 ZINC000616689238 362910075 /nfs/dbraw/zinc/91/00/75/362910075.db2.gz CCLFVZSZMJQDEB-AWEZNQCLSA-N 1 0 302.399 2.026 10 0 DEAERO CC(C)[C@H]([NH3+])CNc1ccccc1S(=O)(=O)C(F)(F)F ZINC000070447828 190895276 /nfs/dbraw/zinc/89/52/76/190895276.db2.gz UQVLZGYHFHAYTN-SECBINFHSA-N 1 0 310.341 2.375 10 0 DEAERO [NH3+][C@@H]1CCCN(c2ccc(-c3nc(-c4ccncc4)no3)cn2)C1 ZINC000070457861 190896980 /nfs/dbraw/zinc/89/69/80/190896980.db2.gz IZUPKXHHGJXDIE-CQSZACIVSA-N 1 0 322.372 2.121 10 0 DEAERO CC[C@H](C[NH3+])C(=O)N(C)Cc1cc(Br)cs1 ZINC000083604364 192375050 /nfs/dbraw/zinc/37/50/50/192375050.db2.gz DXYAMMSLWNGDRU-MRVPVSSYSA-N 1 0 305.241 2.454 10 0 DEAERO CC[C@H](C[NH3+])C(=O)Nc1ccccc1I ZINC000083604108 192375802 /nfs/dbraw/zinc/37/58/02/192375802.db2.gz UYZDMUSQSMZNHR-MRVPVSSYSA-N 1 0 318.158 2.215 10 0 DEAERO C[C@@H](C[NH+](C)C)Nc1ccc(N)cc1I ZINC000130137849 185940505 /nfs/dbraw/zinc/94/05/05/185940505.db2.gz NINRHZYKINAQNX-QMMMGPOBSA-N 1 0 319.190 2.235 10 0 DEAERO O=C1[C@@H]([NH2+][C@@H]2CCCOC2)CCCN1Cc1ccc(F)cc1F ZINC000191647604 539702892 /nfs/dbraw/zinc/70/28/92/539702892.db2.gz OXQFOWKLQRIYQN-ZBFHGGJFSA-N 1 0 324.371 2.224 10 0 DEAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000192479927 539707153 /nfs/dbraw/zinc/70/71/53/539707153.db2.gz FLMWRGFTVSKNDN-ZDUSSCGKSA-N 1 0 315.417 2.058 10 0 DEAERO Cc1csc2c1ncnc2NC[C@@H](C)C[NH+]1CCOCC1 ZINC000192613492 539708725 /nfs/dbraw/zinc/70/87/25/539708725.db2.gz XQJCSBZMMKIOIA-LLVKDONJSA-N 1 0 306.435 2.380 10 0 DEAERO CCc1nnsc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000192933755 539710271 /nfs/dbraw/zinc/71/02/71/539710271.db2.gz BBXDJMPIHPNDIT-ZDUSSCGKSA-N 1 0 304.419 2.133 10 0 DEAERO c1ccc(CN2CCCO[C@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000191835603 539703717 /nfs/dbraw/zinc/70/37/17/539703717.db2.gz DNEOCZZVLJFULS-QZTJIDSGSA-N 1 0 304.434 2.046 10 0 DEAERO [NH3+]C[C@H](NC[C@H]1CCCO1)c1cc(Br)cs1 ZINC000083774354 192383246 /nfs/dbraw/zinc/38/32/46/192383246.db2.gz NBSGKZQJYLGWFH-ZJUUUORDSA-N 1 0 305.241 2.279 10 0 DEAERO C[C@@H](CNC(=O)[C@@H](C)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000193814770 539715376 /nfs/dbraw/zinc/71/53/76/539715376.db2.gz BZCUQIMIJOPAAV-JKSUJKDBSA-N 1 0 317.477 2.321 10 0 DEAERO CCC[NH2+]Cc1ccc(OCC(=O)NC)c(C(F)(F)F)c1 ZINC000071398706 190967216 /nfs/dbraw/zinc/96/72/16/190967216.db2.gz QCTCYPSNFHHXJI-UHFFFAOYSA-N 1 0 304.312 2.330 10 0 DEAERO C[N@H+](CC(N)=S)Cc1ccc(I)cc1 ZINC000083849633 192386859 /nfs/dbraw/zinc/38/68/59/192386859.db2.gz ITIRZXOJQDHIFN-UHFFFAOYSA-N 1 0 320.199 2.009 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000083896781 192390309 /nfs/dbraw/zinc/39/03/09/192390309.db2.gz PEIBZFDXVFUCCV-GFCCVEGCSA-N 1 0 309.797 2.170 10 0 DEAERO CC(=O)N1C[C@@H](C(C)C)Oc2ccc(C(=O)[C@H]3CCC[NH2+]3)cc21 ZINC000071664389 191000504 /nfs/dbraw/zinc/00/05/04/191000504.db2.gz DYCUWUCVWCNVPL-PBHICJAKSA-N 1 0 316.401 2.391 10 0 DEAERO Cc1nn(C)c(C)c1CN1Cc2c(cccc2N(C)C)[C@H]1C[NH3+] ZINC000071683404 191007028 /nfs/dbraw/zinc/00/70/28/191007028.db2.gz SEUBENHWWAXAFH-GOSISDBHSA-N 1 0 313.449 2.119 10 0 DEAERO COc1cc2c(c(OC)c1)[C@@H](C[NH3+])N(CCCOC(C)C)C2 ZINC000071683939 191008079 /nfs/dbraw/zinc/00/80/79/191008079.db2.gz RPSLCDDMWFTJRC-OAHLLOKOSA-N 1 0 308.422 2.334 10 0 DEAERO CC(=O)Nc1ccc(N[C@@H](C)C[C@H]2COCC[NH2+]2)cc1Cl ZINC000133611312 186000028 /nfs/dbraw/zinc/00/00/28/186000028.db2.gz RHCSJOXHFOQNKZ-GWCFXTLKSA-N 1 0 311.813 2.477 10 0 DEAERO C[C@H](CNC(=O)[C@@H]1CCCc2n[nH]cc21)[NH+]1CCC(C)CC1 ZINC000133736259 186010556 /nfs/dbraw/zinc/01/05/56/186010556.db2.gz XMRZJSYSZMVKRB-ZIAGYGMSSA-N 1 0 304.438 2.066 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)N2CCOCC2)C12CCCCC2 ZINC000245963026 539759989 /nfs/dbraw/zinc/75/99/89/539759989.db2.gz YLLGZWPMNPFVLS-GVDBMIGSSA-N 1 0 310.482 2.425 10 0 DEAERO C[NH+](C)CC(C)(C)CN1C(=O)C2(CC2)N[C@H]1c1cccs1 ZINC000138221117 186015213 /nfs/dbraw/zinc/01/52/13/186015213.db2.gz PYJGZUFYFFYXAR-CYBMUJFWSA-N 1 0 307.463 2.299 10 0 DEAERO CC[C@H](C)CN(C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138471224 186017147 /nfs/dbraw/zinc/01/71/47/186017147.db2.gz JGYYRCAPPMLDNF-VIFPVBQESA-N 1 0 306.378 2.090 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCCN1C(=O)CN[C@H]1c1cccs1 ZINC000138457065 186017258 /nfs/dbraw/zinc/01/72/58/186017258.db2.gz PVAXSMMNKDXYGL-XJKSGUPXSA-N 1 0 307.463 2.443 10 0 DEAERO CCCC[C@H](C)NS(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138936286 186019708 /nfs/dbraw/zinc/01/97/08/186019708.db2.gz KSOJMZSVOWASGI-VIFPVBQESA-N 1 0 306.378 2.281 10 0 DEAERO CC[C@@H]1CN(c2ncnc3c(C)cccc32)CC[N@@H+]1C[C@H](C)O ZINC000246446146 539764403 /nfs/dbraw/zinc/76/44/03/539764403.db2.gz BPRIPESMJMOFLS-LSDHHAIUSA-N 1 0 314.433 2.220 10 0 DEAERO C[C@@H](NC(=O)C1(C[NH3+])CCOCC1)c1ccc(Cl)s1 ZINC000138162082 186014164 /nfs/dbraw/zinc/01/41/64/186014164.db2.gz JAKATYZMSDHEAB-SECBINFHSA-N 1 0 302.827 2.334 10 0 DEAERO CC(C)c1nccc(C[N@@H+]2CCC[C@]3(CN(C)C(=O)O3)CC2)n1 ZINC000072151260 191055799 /nfs/dbraw/zinc/05/57/99/191055799.db2.gz HYXGWEVSNIKSIF-QGZVFWFLSA-N 1 0 318.421 2.407 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1ccc(Br)cn1 ZINC000140189016 186026427 /nfs/dbraw/zinc/02/64/27/186026427.db2.gz AELRWRDLAIZMFS-JTQLQIEISA-N 1 0 321.240 2.059 10 0 DEAERO CC[NH2+][C@H](Cc1ccn(C)n1)c1ncccc1Br ZINC000140533418 186026502 /nfs/dbraw/zinc/02/65/02/186026502.db2.gz HHYKYFJIZJNMPL-GFCCVEGCSA-N 1 0 309.211 2.471 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](C(C)C)C(=O)N2CCC[NH+](C)C)s1 ZINC000140465569 186026546 /nfs/dbraw/zinc/02/65/46/186026546.db2.gz LIMDZGNPJMIEOG-HUUCEWRRSA-N 1 0 309.479 2.463 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cnn(CC3CC3)c2)C1 ZINC000246601481 539765486 /nfs/dbraw/zinc/76/54/86/539765486.db2.gz ZNCXPJNEUHEROA-IUODEOHRSA-N 1 0 305.426 2.143 10 0 DEAERO CC[N@@H+]1CC[C@@H](CN2C(=O)C3(CC3)N[C@H]2c2ccsc2)C1 ZINC000142220447 186031890 /nfs/dbraw/zinc/03/18/90/186031890.db2.gz KPADWYPCNSDDNF-TZMCWYRMSA-N 1 0 305.447 2.053 10 0 DEAERO C[NH2+][C@H](Cc1ccc(F)cc1Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000142251942 186031989 /nfs/dbraw/zinc/03/19/89/186031989.db2.gz CPZVIXFICCUFRA-GWCFXTLKSA-N 1 0 319.829 2.434 10 0 DEAERO C[C@@H]1OCC[C@@]1(C[NH3+])N(C)Cc1ccccc1Br ZINC000147947075 186042457 /nfs/dbraw/zinc/04/24/57/186042457.db2.gz ZBDKHNITJOIEEC-FZMZJTMJSA-N 1 0 313.239 2.387 10 0 DEAERO CC(C)CCCCNS(=O)(=O)c1ccc(OCC[NH3+])cc1 ZINC000147922706 186042715 /nfs/dbraw/zinc/04/27/15/186042715.db2.gz YPGKQMZEEDNJPT-UHFFFAOYSA-N 1 0 314.451 2.129 10 0 DEAERO CN(C1CCC1)S(=O)(=O)Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000144638262 186035542 /nfs/dbraw/zinc/03/55/42/186035542.db2.gz GIOHQJHYMDLIPL-UHFFFAOYSA-N 1 0 308.447 2.253 10 0 DEAERO C[N@@H+]1CC[C@H](N2C(=O)C3(CCCC3)N[C@H]2c2ccsc2)C1 ZINC000145216096 186036642 /nfs/dbraw/zinc/03/66/42/186036642.db2.gz HRKOFVPIQOKVGI-UONOGXRCSA-N 1 0 305.447 2.195 10 0 DEAERO C[C@@H](NS(=O)(=O)C[C@@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000149373526 186049787 /nfs/dbraw/zinc/04/97/87/186049787.db2.gz IFEULLDRHICFHR-ZIAGYGMSSA-N 1 0 310.463 2.098 10 0 DEAERO C[C@@H](CS(=O)(=O)NC[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000149595987 186052071 /nfs/dbraw/zinc/05/20/71/186052071.db2.gz WIEFNXDRPHOWAE-NUEKZKHPSA-N 1 0 310.463 2.085 10 0 DEAERO CCc1nn(C)c(C[NH2+][C@H]2CCO[C@@H]2C)c1Br ZINC000149589481 186052119 /nfs/dbraw/zinc/05/21/19/186052119.db2.gz IQDVUCLFWGZUPX-SCZZXKLOSA-N 1 0 302.216 2.012 10 0 DEAERO C[C@H](C[NH3+])CC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000149691863 186052720 /nfs/dbraw/zinc/05/27/20/186052720.db2.gz NCDCYSOMZOZLOO-QWRGUYRKSA-N 1 0 313.239 2.481 10 0 DEAERO C[NH2+][C@@H]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC2(CCCCC2)C1 ZINC000150035155 186054107 /nfs/dbraw/zinc/05/41/07/186054107.db2.gz PILFWKFLBCVBAJ-RBSFLKMASA-N 1 0 315.479 2.139 10 0 DEAERO CC[NH2+][C@H](c1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000150130922 186054902 /nfs/dbraw/zinc/05/49/02/186054902.db2.gz PRGSHDSAGABGCU-SDBXPKJASA-N 1 0 307.337 2.189 10 0 DEAERO CCC[NH2+][C@@H](c1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000150179416 186055420 /nfs/dbraw/zinc/05/54/20/186055420.db2.gz UBHUJNFKCPZDSS-IINYFYTJSA-N 1 0 303.374 2.440 10 0 DEAERO CCc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000150795920 186066200 /nfs/dbraw/zinc/06/62/00/186066200.db2.gz RXJJENMIXUQEPP-BBRMVZONSA-N 1 0 317.433 2.032 10 0 DEAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+]CCn1cncn1 ZINC000268793883 282690596 /nfs/dbraw/zinc/69/05/96/282690596.db2.gz CVLOKORILSOSPT-ZDUSSCGKSA-N 1 0 307.195 2.318 10 0 DEAERO COc1ccc(CCC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1F ZINC000155780998 186112276 /nfs/dbraw/zinc/11/22/76/186112276.db2.gz TXDFBDUOPVJFKZ-STQMWFEESA-N 1 0 308.397 2.318 10 0 DEAERO COc1cc(C)ccc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000155782998 186112489 /nfs/dbraw/zinc/11/24/89/186112489.db2.gz DYUZBXOUTYYWHY-GOEBONIOSA-N 1 0 317.433 2.382 10 0 DEAERO COc1cc(C)c([C@@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1OC ZINC000155785664 186112810 /nfs/dbraw/zinc/11/28/10/186112810.db2.gz IVVZHDKWJKAGLA-GFCCVEGCSA-N 1 0 321.421 2.206 10 0 DEAERO O=C1N(Cc2ccc(Cl)cc2F)CCN1C1CC[NH2+]CC1 ZINC000163971833 186144024 /nfs/dbraw/zinc/14/40/24/186144024.db2.gz ZJQUFFAAFMUSFX-UHFFFAOYSA-N 1 0 311.788 2.469 10 0 DEAERO NC(=O)[C@@H]1CCCCN1c1ccc(C(F)(F)F)c(C[NH3+])c1 ZINC000163974608 186144259 /nfs/dbraw/zinc/14/42/59/186144259.db2.gz CJEQKIWBKTULCK-LBPRGKRZSA-N 1 0 301.312 2.008 10 0 DEAERO Fc1ccc(Br)cc1COC[C@@H]1C[NH2+]CCO1 ZINC000163992260 186145200 /nfs/dbraw/zinc/14/52/00/186145200.db2.gz SCZVLCKDWSQTPU-NSHDSACASA-N 1 0 304.159 2.093 10 0 DEAERO CC1CC(NS(=O)(=O)c2ccc(CC[NH2+]C3CC3)s2)C1 ZINC000163996951 186145525 /nfs/dbraw/zinc/14/55/25/186145525.db2.gz XZHGZDWPYKITDY-UHFFFAOYSA-N 1 0 314.476 2.119 10 0 DEAERO COCCn1ncc(Br)c1[C@@]1(F)CCC[NH2+]CC1 ZINC000164036857 186146619 /nfs/dbraw/zinc/14/66/19/186146619.db2.gz YQRIDEJUFOOZMM-GFCCVEGCSA-N 1 0 320.206 2.230 10 0 DEAERO CC(C)Cn1ncc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1C1CC1 ZINC000155871018 186119698 /nfs/dbraw/zinc/11/96/98/186119698.db2.gz CSVUBHBMIKUVTP-CQSZACIVSA-N 1 0 304.438 2.193 10 0 DEAERO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000155891815 186120900 /nfs/dbraw/zinc/12/09/00/186120900.db2.gz JXZBREBKUSWVCW-GDBMZVCRSA-N 1 0 312.479 2.473 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)CC[S@@](=O)c2ccccc2)cc1 ZINC000155906489 186122237 /nfs/dbraw/zinc/12/22/37/186122237.db2.gz IRSAJJLTZMODNZ-NRFANRHFSA-N 1 0 302.399 2.282 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1C[NH3+])[S@@](=O)c1ccccc1 ZINC000155907961 186122299 /nfs/dbraw/zinc/12/22/99/186122299.db2.gz QCAWBIDARBZNTF-GTJPDFRWSA-N 1 0 302.399 2.280 10 0 DEAERO C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[S@](=O)c1ccccc1 ZINC000155907475 186122423 /nfs/dbraw/zinc/12/24/23/186122423.db2.gz OXCHWMGOONADTG-XUSGNXJCSA-N 1 0 302.399 2.280 10 0 DEAERO [NH3+]C[C@@H]1CCN(C(=O)c2cccc(F)c2Br)C1 ZINC000155979576 186125074 /nfs/dbraw/zinc/12/50/74/186125074.db2.gz OHXGCIXDGUVILR-QMMMGPOBSA-N 1 0 301.159 2.009 10 0 DEAERO CCC[C@@H](C[NH3+])Nc1cnn(C(C)C)c(=O)c1Br ZINC000159601860 186130260 /nfs/dbraw/zinc/13/02/60/186130260.db2.gz NZZNFHTUYYMJEY-VIFPVBQESA-N 1 0 317.231 2.126 10 0 DEAERO CCc1nnc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000171504118 186169897 /nfs/dbraw/zinc/16/98/97/186169897.db2.gz RTRGCSKQFYZKJN-NSHDSACASA-N 1 0 309.439 2.193 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(CCO)CCOC ZINC000164210161 186151787 /nfs/dbraw/zinc/15/17/87/186151787.db2.gz RXUHCRAPFHKUNE-MFKMUULPSA-N 1 0 306.859 2.121 10 0 DEAERO Cc1ccc([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000164264541 186153911 /nfs/dbraw/zinc/15/39/11/186153911.db2.gz FGRTUWVHYSDVJD-SKDRFNHKSA-N 1 0 318.236 2.192 10 0 DEAERO CC(C(=O)NCc1ccc(OC(F)(F)F)cc1)=C1C[NH2+]C1 ZINC000164411682 186158466 /nfs/dbraw/zinc/15/84/66/186158466.db2.gz WXTVIKGTJRYZIC-UHFFFAOYSA-N 1 0 300.280 2.121 10 0 DEAERO C[C@@H]1C[C@@H](Nc2ccccc2SCC(N)=O)C[N@@H+]1C1CC1 ZINC000164409719 186158705 /nfs/dbraw/zinc/15/87/05/186158705.db2.gz BKFJPDJFWMLFJV-VXGBXAGGSA-N 1 0 305.447 2.301 10 0 DEAERO C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000175632695 186183102 /nfs/dbraw/zinc/18/31/02/186183102.db2.gz JDLITHSMSHBTJE-CZUORRHYSA-N 1 0 323.412 2.124 10 0 DEAERO Brc1cnn(CCCC[NH2+][C@@H]2CCCOC2)c1 ZINC000280719916 539814685 /nfs/dbraw/zinc/81/46/85/539814685.db2.gz XXCXNXZRAAMDID-GFCCVEGCSA-N 1 0 302.216 2.194 10 0 DEAERO CCC(=O)Nc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171889983 198001657 /nfs/dbraw/zinc/00/16/57/198001657.db2.gz CXNSUSHQZHSZDS-OAHLLOKOSA-N 1 0 316.405 2.347 10 0 DEAERO Cc1nc2ccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2o1 ZINC000171888279 198002448 /nfs/dbraw/zinc/00/24/48/198002448.db2.gz FHZXGNRWOVRMEN-CYBMUJFWSA-N 1 0 300.362 2.448 10 0 DEAERO O=C(N[C@H]1CCc2cc(F)ccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171904233 198004972 /nfs/dbraw/zinc/00/49/72/198004972.db2.gz FPNLBTLPWYMIEN-ZBFHGGJFSA-N 1 0 303.381 2.303 10 0 DEAERO CC(C)(C)c1csc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000171907491 198005893 /nfs/dbraw/zinc/00/58/93/198005893.db2.gz MXOBEHGTUYHTLN-GFCCVEGCSA-N 1 0 322.478 2.430 10 0 DEAERO CC(C)(O)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000171917673 198008292 /nfs/dbraw/zinc/00/82/92/198008292.db2.gz UAGRYTSHYSHFTG-UHFFFAOYSA-N 1 0 309.385 2.183 10 0 DEAERO O[C@@H](C[NH+]1CCN(c2ccnc(C3CC3)n2)CC1)c1ccccc1 ZINC000171986568 198021036 /nfs/dbraw/zinc/02/10/36/198021036.db2.gz FDRNXOQYGGJXEG-KRWDZBQOSA-N 1 0 324.428 2.210 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCc1ccc2c(c1)CCO2 ZINC000172068312 198033629 /nfs/dbraw/zinc/03/36/29/198033629.db2.gz TXNMRUQXXBEMQP-CQSZACIVSA-N 1 0 319.449 2.194 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000172081860 198036876 /nfs/dbraw/zinc/03/68/76/198036876.db2.gz FDAXNRLZOHVTHZ-XHDPSFHLSA-N 1 0 309.360 2.072 10 0 DEAERO Cc1cccc(NC(=O)C[NH2+][C@@H](CC(N)=O)C2CCCCC2)c1 ZINC000182045769 199378726 /nfs/dbraw/zinc/37/87/26/199378726.db2.gz 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2.174 10 0 DEAERO O=C(NC1CCN(c2ccccc2)CC1)N[C@H]1CCCC[NH2+]C1 ZINC000333720769 539970296 /nfs/dbraw/zinc/97/02/96/539970296.db2.gz GNUSEMLZGIDGGE-INIZCTEOSA-N 1 0 316.449 2.097 10 0 DEAERO CC(C)CCOC1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333862307 539974203 /nfs/dbraw/zinc/97/42/03/539974203.db2.gz SJEMBXGZYAEXBJ-OAHLLOKOSA-N 1 0 311.470 2.365 10 0 DEAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(Br)s2)C1 ZINC000085011307 192479156 /nfs/dbraw/zinc/47/91/56/192479156.db2.gz PBGFKOLBRCXCGG-SFYZADRCSA-N 1 0 303.225 2.254 10 0 DEAERO CCc1nnc(CN(C)[C@@H](C)Cc2ccccc2OC)n1C ZINC000174030929 198282962 /nfs/dbraw/zinc/28/29/62/198282962.db2.gz OHTXQBMTHDLLOH-ZDUSSCGKSA-N 1 0 302.422 2.449 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000174086944 198289960 /nfs/dbraw/zinc/28/99/60/198289960.db2.gz HVPGPMQLBFGOFQ-MRXNPFEDSA-N 1 0 315.417 2.230 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccnc2OC)[C@H](C)C1 ZINC000174362739 198324426 /nfs/dbraw/zinc/32/44/26/198324426.db2.gz HOSBPJUIZOTRJI-OCCSQVGLSA-N 1 0 306.410 2.284 10 0 DEAERO Cc1cccc(O[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000174351312 198323001 /nfs/dbraw/zinc/32/30/01/198323001.db2.gz ISCNMCCSUJWQHQ-GJZGRUSLSA-N 1 0 305.422 2.156 10 0 DEAERO Cn1nccc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174579935 198355350 /nfs/dbraw/zinc/35/53/50/198355350.db2.gz LMKJFLSVSNNIQT-KRWDZBQOSA-N 1 0 312.417 2.091 10 0 DEAERO CC[C@H]1CN(C(=O)c2ccccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000174603827 198357172 /nfs/dbraw/zinc/35/71/72/198357172.db2.gz OFXJSOGWPBOGMA-OLZOCXBDSA-N 1 0 310.825 2.257 10 0 DEAERO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000182120322 199389610 /nfs/dbraw/zinc/38/96/10/199389610.db2.gz PJZHYIYBFWBDQT-QWHCGFSZSA-N 1 0 302.827 2.180 10 0 DEAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(OC)c2O)C1 ZINC000174757703 198380754 /nfs/dbraw/zinc/38/07/54/198380754.db2.gz UVDYFMIMPDJCKM-ZDUSSCGKSA-N 1 0 306.406 2.205 10 0 DEAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2ccc(C)cc2)C[C@@H]1CC ZINC000174782750 198384265 /nfs/dbraw/zinc/38/42/65/198384265.db2.gz DKOQXZQHVYEOIB-OALUTQOASA-N 1 0 320.477 2.461 10 0 DEAERO COC(=O)c1ccccc1OCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000182172936 199396935 /nfs/dbraw/zinc/39/69/35/199396935.db2.gz GEDQCIPAQKHBQF-LSDHHAIUSA-N 1 0 318.417 2.021 10 0 DEAERO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C1CC(C)(c2ccc(F)cc2)C1 ZINC000367720495 291006884 /nfs/dbraw/zinc/00/68/84/291006884.db2.gz MBKYXXXLPYATIB-WVYASWFKSA-N 1 0 311.422 2.269 10 0 DEAERO Cc1cscc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000175420496 198472824 /nfs/dbraw/zinc/47/28/24/198472824.db2.gz LJNAQRSJXUVHMO-ZDUSSCGKSA-N 1 0 310.463 2.221 10 0 DEAERO CCOC(=O)[C@@]12C[N@H+](Cc3ccccc3)C[C@H]1CN(C)CC2 ZINC000004203254 181084498 /nfs/dbraw/zinc/08/44/98/181084498.db2.gz LRDMAULBYRDLTC-AEFFLSMTSA-N 1 0 302.418 2.003 10 0 DEAERO c1ccc(OCCOCCN2CC[NH+](CC3CC3)CC2)cc1 ZINC000052165654 354396790 /nfs/dbraw/zinc/39/67/90/354396790.db2.gz JIGJMFPCVZTBKW-UHFFFAOYSA-N 1 0 304.434 2.110 10 0 DEAERO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)N1CCOCC1 ZINC000054994185 354480262 /nfs/dbraw/zinc/48/02/62/354480262.db2.gz NMUMBCFHTOLHFW-AWEZNQCLSA-N 1 0 324.371 2.036 10 0 DEAERO C[NH+](C)CCCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000055175878 354487315 /nfs/dbraw/zinc/48/73/15/354487315.db2.gz GGYRGMUPDWWPCJ-UHFFFAOYSA-N 1 0 319.380 2.481 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000055209294 354488708 /nfs/dbraw/zinc/48/87/08/354488708.db2.gz SXVJLMOCSYVHCZ-CQSZACIVSA-N 1 0 316.380 2.430 10 0 DEAERO C[C@H](CCNC(=O)N(C)[C@H](C)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000182712139 199479024 /nfs/dbraw/zinc/47/90/24/199479024.db2.gz YLSJQKRIYVJLHO-HUUCEWRRSA-N 1 0 321.469 2.387 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000060524422 354617287 /nfs/dbraw/zinc/61/72/87/354617287.db2.gz BGEFMBHPDRVNAT-ZFWWWQNUSA-N 1 0 315.417 2.103 10 0 DEAERO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)CCO1 ZINC000449251211 535268665 /nfs/dbraw/zinc/26/86/65/535268665.db2.gz NWKWUYGHPLIQHE-HOCLYGCPSA-N 1 0 311.447 2.383 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1ccc2cc(OC)ccc2n1 ZINC000073696387 354976073 /nfs/dbraw/zinc/97/60/73/354976073.db2.gz ZMTZAQPCEWWFJX-UHFFFAOYSA-N 1 0 301.390 2.315 10 0 DEAERO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NC1CC[NH+](C)CC1 ZINC000077511093 355210127 /nfs/dbraw/zinc/21/01/27/355210127.db2.gz VDWOBLWLUBHFAB-HNNXBMFYSA-N 1 0 303.406 2.130 10 0 DEAERO O=S1(=O)CC(CC[NH2+]Cc2sccc2Br)C1 ZINC000381407495 540122935 /nfs/dbraw/zinc/12/29/35/540122935.db2.gz RVGDDLXEIMSBKU-UHFFFAOYSA-N 1 0 324.265 2.035 10 0 DEAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000073716767 191346637 /nfs/dbraw/zinc/34/66/37/191346637.db2.gz KHLBEYLOXCXGLC-QWRGUYRKSA-N 1 0 300.349 2.157 10 0 DEAERO CC[C@H]1CN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CCS1 ZINC000073722561 191348619 /nfs/dbraw/zinc/34/86/19/191348619.db2.gz AMOOEQZTKPHACV-KBPBESRZSA-N 1 0 301.500 2.500 10 0 DEAERO CC(=O)Nc1cccc(C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000074908689 191383790 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CCc1ccc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)cc1CC ZINC000180047807 356040310 /nfs/dbraw/zinc/04/03/10/356040310.db2.gz OISIPXXLTDPMBP-UHFFFAOYSA-N 1 0 319.449 2.206 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000182364072 356124033 /nfs/dbraw/zinc/12/40/33/356124033.db2.gz KJACBGXDDJHPPX-LBPRGKRZSA-N 1 0 318.248 2.277 10 0 DEAERO CCC(C)(C)NC(=O)C[NH2+][C@H](CCO)c1ccc(OC)cc1 ZINC000182406255 356126469 /nfs/dbraw/zinc/12/64/69/356126469.db2.gz XSSCKCBAJXGDAH-OAHLLOKOSA-N 1 0 308.422 2.013 10 0 DEAERO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000181674604 356089961 /nfs/dbraw/zinc/08/99/61/356089961.db2.gz ODUQLBIUOAIGPS-AAEUAGOBSA-N 1 0 319.323 2.221 10 0 DEAERO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000080156857 192007057 /nfs/dbraw/zinc/00/70/57/192007057.db2.gz GVKUNLITFXUMQD-HLPPOEQASA-N 1 0 314.495 2.120 10 0 DEAERO COCC[N@H+](C)CCNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183052150 356157558 /nfs/dbraw/zinc/15/75/58/356157558.db2.gz FVGDNJFMCNTSHF-UHFFFAOYSA-N 1 0 324.387 2.440 10 0 DEAERO CCC[C@H]1CN(C(=O)c2ccncc2CC)CC[N@@H+]1CCOC ZINC000182590022 356132279 /nfs/dbraw/zinc/13/22/79/356132279.db2.gz BSWHJRQPAVMSHP-INIZCTEOSA-N 1 0 319.449 2.217 10 0 DEAERO COCc1cc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)ncn1 ZINC000183914421 356182518 /nfs/dbraw/zinc/18/25/18/356182518.db2.gz OTKSFUREMIOLNE-ZDUSSCGKSA-N 1 0 321.425 2.009 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@@H](C)CCC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000184692470 356196354 /nfs/dbraw/zinc/19/63/54/356196354.db2.gz HPPJXZSWXKESRO-ARFHVFGLSA-N 1 0 313.486 2.298 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC1CCSCC1 ZINC000195470536 356254587 /nfs/dbraw/zinc/25/45/87/356254587.db2.gz XQVDQQBSMKWNBP-MRXNPFEDSA-N 1 0 321.490 2.354 10 0 DEAERO [NH3+]Cc1ccc(I)c(OC(F)(F)F)n1 ZINC000238680977 356305277 /nfs/dbraw/zinc/30/52/77/356305277.db2.gz VAKMWVAESCGJPB-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO CNS(=O)(=O)c1ccccc1OCC1([NH3+])CCCCCC1 ZINC000080901653 192199434 /nfs/dbraw/zinc/19/94/34/192199434.db2.gz ROPMRULJBIJFJJ-UHFFFAOYSA-N 1 0 312.435 2.025 10 0 DEAERO C[C@H]1CCC[C@]([NH3+])(C(=O)Nc2cc(C(N)=O)ccc2Cl)C1 ZINC000080913788 192200372 /nfs/dbraw/zinc/20/03/72/192200372.db2.gz SLNXIHLMQYOUNL-BJOHPYRUSA-N 1 0 309.797 2.285 10 0 DEAERO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000248144096 356321255 /nfs/dbraw/zinc/32/12/55/356321255.db2.gz ZCYPLXGQFWYTQB-FGTMMUONSA-N 1 0 322.493 2.413 10 0 DEAERO C[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400338179 283155621 /nfs/dbraw/zinc/15/56/21/283155621.db2.gz FYZGFDLZYVLLSW-RDBSUJKOSA-N 1 0 300.443 2.240 10 0 DEAERO C[C@H]([NH2+]CC1(N(C)C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400512737 283157712 /nfs/dbraw/zinc/15/77/12/283157712.db2.gz MAFNHFLMXBKEDH-KBPBESRZSA-N 1 0 311.470 2.316 10 0 DEAERO COC[C@@H]1CCN(c2nc3sccn3c2C[NH2+]C(C)C)C1 ZINC000081080510 192223766 /nfs/dbraw/zinc/22/37/66/192223766.db2.gz GMLMWUJPOBPCNR-GFCCVEGCSA-N 1 0 308.451 2.367 10 0 DEAERO CC(=O)N(C1CCC1)[C@@H]1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC000328634009 356464708 /nfs/dbraw/zinc/46/47/08/356464708.db2.gz MIXICYDKJZIPKL-MRXNPFEDSA-N 1 0 304.438 2.176 10 0 DEAERO C[N@H+](CC1CC1)C[C@@H]1CN(C(=O)CC2=CCCCC2)CCO1 ZINC000328629494 356464187 /nfs/dbraw/zinc/46/41/87/356464187.db2.gz IHRXCLBVCOGNDL-QGZVFWFLSA-N 1 0 306.450 2.446 10 0 DEAERO [NH3+]C[C@H](c1cccc(Cl)c1Cl)N1CCn2cnnc2C1 ZINC000081532931 192284672 /nfs/dbraw/zinc/28/46/72/192284672.db2.gz HZGSFJRZHLBZLT-LLVKDONJSA-N 1 0 312.204 2.101 10 0 DEAERO CC(C)CS(=O)(=O)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000081767942 192321022 /nfs/dbraw/zinc/32/10/22/192321022.db2.gz MXLRUEYWXDPCBQ-HNNXBMFYSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@@]1(C2CC2)C[NH2+][C@@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085529371 192515175 /nfs/dbraw/zinc/51/51/75/192515175.db2.gz YQDPHWZLWDKHKC-KGLIPLIRSA-N 1 0 306.372 2.418 10 0 DEAERO c1[nH+]cn2ccc(-c3noc(CCOC[C@@H]4CCCO4)n3)cc12 ZINC000351087248 356610765 /nfs/dbraw/zinc/61/07/65/356610765.db2.gz MNGMJIDQZNKQBY-AWEZNQCLSA-N 1 0 314.345 2.122 10 0 DEAERO CCOCCOc1ccccc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000236961296 202095970 /nfs/dbraw/zinc/09/59/70/202095970.db2.gz OEHAPQJCBOIGLY-LSDHHAIUSA-N 1 0 320.433 2.301 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000237005486 202118835 /nfs/dbraw/zinc/11/88/35/202118835.db2.gz FBJQOEDSDYEXTE-IAQYHMDHSA-N 1 0 305.422 2.445 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382429892 356674773 /nfs/dbraw/zinc/67/47/73/356674773.db2.gz PCAPBEKUXRXEFC-WDEREUQCSA-N 1 0 302.827 2.054 10 0 DEAERO C[C@@H]([NH2+]CCn1cncn1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386171512 356694495 /nfs/dbraw/zinc/69/44/95/356694495.db2.gz WNQNDUDRCMHRCB-KGLIPLIRSA-N 1 0 323.441 2.046 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@H](COCc2ccccc2)C1 ZINC000384075589 356681981 /nfs/dbraw/zinc/68/19/81/356681981.db2.gz QZGQYRJDDHMVFO-MSOLQXFVSA-N 1 0 316.445 2.441 10 0 DEAERO CC(C)OC[C@@H](O)C[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000386733737 356698444 /nfs/dbraw/zinc/69/84/44/356698444.db2.gz WBUNGDLZFHDFHV-SFHVURJKSA-N 1 0 320.477 2.417 10 0 DEAERO c1c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)nnn1CC1CC1 ZINC000428192638 356738089 /nfs/dbraw/zinc/73/80/89/356738089.db2.gz STCGSSSBNSAKRK-XHSDSOJGSA-N 1 0 302.422 2.125 10 0 DEAERO CCC[C@H]1CN(CCCS(=O)(=O)CC)[C@@](C)(CC)C[NH2+]1 ZINC000086982208 192606464 /nfs/dbraw/zinc/60/64/64/192606464.db2.gz MQDGMTVYLSZJQV-GJZGRUSLSA-N 1 0 304.500 2.054 10 0 DEAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CSC2(C)C)c1 ZINC000578642547 356849985 /nfs/dbraw/zinc/84/99/85/356849985.db2.gz PUDXGCMIIOCILF-DZGCQCFKSA-N 1 0 309.431 2.113 10 0 DEAERO CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000130222757 283234358 /nfs/dbraw/zinc/23/43/58/283234358.db2.gz ACBGPLVWYSIQEK-CQSZACIVSA-N 1 0 306.454 2.410 10 0 DEAERO c1cnn(Cc2noc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000579614261 357005872 /nfs/dbraw/zinc/00/58/72/357005872.db2.gz XHBQHKSMOOAXGP-OAHLLOKOSA-N 1 0 309.373 2.304 10 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JQPSKPLXPFPMRD-UHFFFAOYSA-N 1 0 314.451 2.140 10 0 DEAERO CCc1ccc(C[NH3+])cc1S(=O)(=O)NCc1ccccc1 ZINC000088983124 192681557 /nfs/dbraw/zinc/68/15/57/192681557.db2.gz XFDWAVABGYOKBQ-UHFFFAOYSA-N 1 0 304.415 2.186 10 0 DEAERO CC[C@@H](Nc1ccccc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000588763917 357421896 /nfs/dbraw/zinc/42/18/96/357421896.db2.gz AJKJACVORRROOH-MRXNPFEDSA-N 1 0 315.421 2.274 10 0 DEAERO Cc1nc(C)c([C@H](C)NS(=O)(=O)[C@H](C)C[NH2+]C(C)C)s1 ZINC000088999326 192690656 /nfs/dbraw/zinc/69/06/56/192690656.db2.gz XGXCALHOLQBUMW-KOLCDFICSA-N 1 0 319.496 2.127 10 0 DEAERO C[C@H](c1cccs1)N(C)S(=O)(=O)CCC[NH2+]C1CC1 ZINC000089001551 192690430 /nfs/dbraw/zinc/69/04/30/192690430.db2.gz HQPIVIMDVAINSY-LLVKDONJSA-N 1 0 302.465 2.213 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NCC2CCOCC2)[C@@H]1c1ccccc1 ZINC000179189648 198996619 /nfs/dbraw/zinc/99/66/19/198996619.db2.gz OMPVQDHBBIBCHM-SJORKVTESA-N 1 0 317.433 2.158 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2O)[C@@H]1c1ccccc1 ZINC000179223445 199001658 /nfs/dbraw/zinc/00/16/58/199001658.db2.gz IRLIQGDVYKHYPY-LPHOPBHVSA-N 1 0 310.397 2.496 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccc(Cn2cccn2)cc1)[NH+](C)C ZINC000179436719 199035459 /nfs/dbraw/zinc/03/54/59/199035459.db2.gz LBGDAZHSSFXXET-KRWDZBQOSA-N 1 0 314.433 2.278 10 0 DEAERO CCn1cc(S(=O)(=O)N(CC(C)C)C2CC2)cc1C[NH2+]C ZINC000089004381 192692133 /nfs/dbraw/zinc/69/21/33/192692133.db2.gz QCWNARRNEYBPRU-UHFFFAOYSA-N 1 0 313.467 2.037 10 0 DEAERO O[C@@H](COC[C@@H]1CCCO1)C[N@@H+]1CCCc2sccc2C1 ZINC000593439697 358079250 /nfs/dbraw/zinc/07/92/50/358079250.db2.gz BLZHSROVTVDHDV-CABCVRRESA-N 1 0 311.447 2.053 10 0 DEAERO COCCN1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C[C@H]1C ZINC000180086171 199115682 /nfs/dbraw/zinc/11/56/82/199115682.db2.gz HHKKTGWKZJRMAV-HZPDHXFCSA-N 1 0 306.450 2.451 10 0 DEAERO COc1ncccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000180112607 199118866 /nfs/dbraw/zinc/11/88/66/199118866.db2.gz QVFDMIHDHGMTST-HOTGVXAUSA-N 1 0 311.385 2.265 10 0 DEAERO Cc1cc(C)c(CC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(C)c1 ZINC000180267773 199138548 /nfs/dbraw/zinc/13/85/48/199138548.db2.gz XXTXRTIIGMFNCO-DLBZAZTESA-N 1 0 318.461 2.068 10 0 DEAERO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)nn1-c1ccc(C)cc1 ZINC000180397495 199153310 /nfs/dbraw/zinc/15/33/10/199153310.db2.gz DXWVPBQQGGPHKD-INIZCTEOSA-N 1 0 312.417 2.313 10 0 DEAERO CCC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)CC(C)(C)C ZINC000089013545 192698356 /nfs/dbraw/zinc/69/83/56/192698356.db2.gz FAPHJOBPCHDZPQ-AWEZNQCLSA-N 1 0 319.515 2.063 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N2C[C@H](C)CC[C@@H]2C)s1 ZINC000089050775 192722157 /nfs/dbraw/zinc/72/21/57/192722157.db2.gz MFXJARYMSCFDSO-NEPJUHHUSA-N 1 0 316.492 2.319 10 0 DEAERO CCc1nn(CC)c(C[C@H]([NH3+])CCOC)c1Br ZINC000089359290 192772930 /nfs/dbraw/zinc/77/29/30/192772930.db2.gz DFHLCTKDRSQOAB-SECBINFHSA-N 1 0 304.232 2.134 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1cccc(Br)c1 ZINC000089460341 192794190 /nfs/dbraw/zinc/79/41/90/192794190.db2.gz RCQZQBKNBBAWLG-WCQYABFASA-N 1 0 311.223 2.440 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000089532103 192812207 /nfs/dbraw/zinc/81/22/07/192812207.db2.gz MAVPTEAWTHRFLP-WDEREUQCSA-N 1 0 318.389 2.008 10 0 DEAERO CSc1ccc(NC(=O)[C@H](C)[N@H+](C)CC2(CO)CC2)cc1 ZINC000186766593 200005825 /nfs/dbraw/zinc/00/58/25/200005825.db2.gz DKVGRGUIEUCIBD-LBPRGKRZSA-N 1 0 308.447 2.440 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)Nc1cccc(Cl)c1-n1cccn1 ZINC000089743504 192855020 /nfs/dbraw/zinc/85/50/20/192855020.db2.gz ZJLBQPYIUSSVDU-LLVKDONJSA-N 1 0 304.781 2.464 10 0 DEAERO O=C(C[C@@H]1CC[NH2+]C1)NCc1cc(Br)ccc1F ZINC000089747149 192856610 /nfs/dbraw/zinc/85/66/10/192856610.db2.gz PTCMBUGVVDJZSL-VIFPVBQESA-N 1 0 315.186 2.204 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccnc2ccncc21 ZINC000187177395 200072981 /nfs/dbraw/zinc/07/29/81/200072981.db2.gz NVUUBYJVBLQELN-CYBMUJFWSA-N 1 0 300.406 2.336 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000187484277 200118255 /nfs/dbraw/zinc/11/82/55/200118255.db2.gz CGWOBPILTOMMPQ-KBPBESRZSA-N 1 0 320.437 2.134 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@H](O)COCc2ccccc2)C1 ZINC000187928261 200178372 /nfs/dbraw/zinc/17/83/72/200178372.db2.gz PFVYINXGIYXIJE-BPQIPLTHSA-N 1 0 307.434 2.047 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000187910883 200174940 /nfs/dbraw/zinc/17/49/40/200174940.db2.gz CSKJYRJADICPIT-WFASDCNBSA-N 1 0 323.412 2.316 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000238021662 283479821 /nfs/dbraw/zinc/47/98/21/283479821.db2.gz NHYIOJUMDHPUTP-IINYFYTJSA-N 1 0 306.793 2.359 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccncc1C ZINC000188235623 200213292 /nfs/dbraw/zinc/21/32/92/200213292.db2.gz XJJMQUOQXRJSQC-HZPDHXFCSA-N 1 0 302.422 2.158 10 0 DEAERO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)o1 ZINC000188411776 200242412 /nfs/dbraw/zinc/24/24/12/200242412.db2.gz OARIDMMZQKKJSY-ZDUSSCGKSA-N 1 0 303.362 2.317 10 0 DEAERO C[C@@H]1CC[C@@H](Nc2ccc(I)cn2)C[NH2+]1 ZINC000600864180 359844604 /nfs/dbraw/zinc/84/46/04/359844604.db2.gz XYSBUEZSDNQVCZ-PSASIEDQSA-N 1 0 317.174 2.239 10 0 DEAERO COc1ccnc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1OC ZINC000188671399 200284328 /nfs/dbraw/zinc/28/43/28/200284328.db2.gz WWWDAOUSAXRMCC-CXAGYDPISA-N 1 0 306.406 2.226 10 0 DEAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1 ZINC000237920374 202391729 /nfs/dbraw/zinc/39/17/29/202391729.db2.gz CMTSODYPSWUCOE-KGLIPLIRSA-N 1 0 312.417 2.396 10 0 DEAERO CO[C@H]1C[N@H+](CCC(=O)N2CCc3sccc3C2)CC[C@@H]1C ZINC000189260620 200371545 /nfs/dbraw/zinc/37/15/45/200371545.db2.gz NGZMKOPMQAUXIF-ZFWWWQNUSA-N 1 0 322.474 2.380 10 0 DEAERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000281230327 216170697 /nfs/dbraw/zinc/17/06/97/216170697.db2.gz LBIUYGLLSGPKIQ-GVDBMIGSSA-N 1 0 302.418 2.301 10 0 DEAERO CC[NH+](CC)C[C@@H](C)NC(=O)CN(C)c1ccc(Cl)cn1 ZINC000603302618 360784382 /nfs/dbraw/zinc/78/43/82/360784382.db2.gz SEWXIPWXKURIHY-GFCCVEGCSA-N 1 0 312.845 2.018 10 0 DEAERO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC(n2ccnc2)C1 ZINC000603917108 360873024 /nfs/dbraw/zinc/87/30/24/360873024.db2.gz BVNZVBULQWCUPP-UHFFFAOYSA-N 1 0 310.401 2.176 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000063194229 296024089 /nfs/dbraw/zinc/02/40/89/296024089.db2.gz AMOBMSVNHTYLAC-SKDRFNHKSA-N 1 0 320.817 2.370 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3nccn3c2)C1 ZINC000606582233 361022266 /nfs/dbraw/zinc/02/22/66/361022266.db2.gz HVDLMMIPAGYXQE-CYBMUJFWSA-N 1 0 301.394 2.188 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1Cc2ccc(C(=O)OC)cc2C1 ZINC000609308934 361298500 /nfs/dbraw/zinc/29/85/00/361298500.db2.gz TXBMZPXJLQFWGI-INIZCTEOSA-N 1 0 316.401 2.190 10 0 DEAERO C[C@H]([NH3+])CCC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000193199047 201006371 /nfs/dbraw/zinc/00/63/71/201006371.db2.gz INDMYDMHNBQBFL-VIFPVBQESA-N 1 0 317.311 2.045 10 0 DEAERO O=C(c1cc(O)ccc1C(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000193174715 201002823 /nfs/dbraw/zinc/00/28/23/201002823.db2.gz JSYBHISJKJEUKU-SNVBAGLBSA-N 1 0 314.307 2.331 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000193323633 201029836 /nfs/dbraw/zinc/02/98/36/201029836.db2.gz AJZUEKWYWHEVOY-MRVPVSSYSA-N 1 0 306.193 2.011 10 0 DEAERO COC(=O)[C@@H](NC1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CC1 ZINC000358844664 291264111 /nfs/dbraw/zinc/26/41/11/291264111.db2.gz DTDUBDYHLNNVDS-DYVFJYSZSA-N 1 0 317.433 2.148 10 0 DEAERO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(SC(=O)N(C)C)cc1 ZINC000193635498 201091852 /nfs/dbraw/zinc/09/18/52/201091852.db2.gz LQSKTXNBPINNBC-BXUZGUMPSA-N 1 0 321.446 2.075 10 0 DEAERO CC(C)c1ccccc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000193737958 201115070 /nfs/dbraw/zinc/11/50/70/201115070.db2.gz SLSXWIRIDSEHPM-UHFFFAOYSA-N 1 0 317.433 2.301 10 0 DEAERO CSC1(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCC1 ZINC000193804382 201126379 /nfs/dbraw/zinc/12/63/79/201126379.db2.gz HUKVXLZVFSWUGS-NSHDSACASA-N 1 0 314.476 2.270 10 0 DEAERO c1ccc(CN2CCC([NH2+]CC[C@@H]3CCCOC3)CC2)nc1 ZINC000527736402 283701176 /nfs/dbraw/zinc/70/11/76/283701176.db2.gz FRMCYAXRHOHSRC-INIZCTEOSA-N 1 0 303.450 2.452 10 0 DEAERO CCCCOC[C@H](O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000195126315 201343261 /nfs/dbraw/zinc/34/32/61/201343261.db2.gz GXVJNRXMVWLMGR-GOSISDBHSA-N 1 0 317.433 2.482 10 0 DEAERO Cc1cnc(CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)o1 ZINC000195292716 201376019 /nfs/dbraw/zinc/37/60/19/201376019.db2.gz BSONVYDYCLPMHP-MRXNPFEDSA-N 1 0 300.406 2.332 10 0 DEAERO CCc1nn(C)c(Cn2cccc2C[NH2+]C)c1Br ZINC000090995719 192969454 /nfs/dbraw/zinc/96/94/54/192969454.db2.gz HDDWAKCMIFUVJJ-UHFFFAOYSA-N 1 0 311.227 2.314 10 0 DEAERO C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@H]([NH+](C)C)C1 ZINC000623014928 364855404 /nfs/dbraw/zinc/85/54/04/364855404.db2.gz AGLQTYVRXWXCHA-NEPJUHHUSA-N 1 0 318.446 2.259 10 0 DEAERO Cn1cncc1[C@@H]1C[C@@H]([NH2+]Cc2cccc3nccn32)CCO1 ZINC000275455615 212344658 /nfs/dbraw/zinc/34/46/58/212344658.db2.gz GUZPFWZSYTTZJK-BBRMVZONSA-N 1 0 311.389 2.078 10 0 DEAERO Cc1ccc(CN(C)CC[N@H+](C)CCO)cc1Br ZINC000623091060 364881792 /nfs/dbraw/zinc/88/17/92/364881792.db2.gz MWLSAVLZZQSFKZ-UHFFFAOYSA-N 1 0 315.255 2.113 10 0 DEAERO c1cc(C[NH2+][C@H]2CCOC3(CCC3)C2)nc(N2CCOCC2)c1 ZINC000449258962 240267525 /nfs/dbraw/zinc/26/75/25/240267525.db2.gz RREPUTMAVCBQFV-HNNXBMFYSA-N 1 0 317.433 2.110 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2C)CC12COC2 ZINC000449357511 240396300 /nfs/dbraw/zinc/39/63/00/240396300.db2.gz DPBUXZCYKOMTOW-MRXNPFEDSA-N 1 0 303.402 2.315 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2cc3ccccc3o2)CC12COC2 ZINC000449356688 240399867 /nfs/dbraw/zinc/39/98/67/240399867.db2.gz CMMJXCGHAGJQGZ-OAHLLOKOSA-N 1 0 315.369 2.444 10 0 DEAERO c1cc(C[NH2+]C[C@@H]2CCN2C2CCCC2)n(-c2ccccn2)n1 ZINC000623728846 365152366 /nfs/dbraw/zinc/15/23/66/365152366.db2.gz BYBVOTPNYWALAV-INIZCTEOSA-N 1 0 311.433 2.374 10 0 DEAERO C[NH2+]C[C@H](C[C@H]1CCCOC1)NC(=O)OCc1ccccc1 ZINC000091301789 193036028 /nfs/dbraw/zinc/03/60/28/193036028.db2.gz 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C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cc(Br)cs1 ZINC000624238180 365347387 /nfs/dbraw/zinc/34/73/87/365347387.db2.gz LWEYOMCZQINJLP-UJNFCWOMSA-N 1 0 306.225 2.311 10 0 DEAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000624239145 365347478 /nfs/dbraw/zinc/34/74/78/365347478.db2.gz FGAYVLPKVNFOHB-LPEHRKFASA-N 1 0 318.236 2.237 10 0 DEAERO c1ccc2sc(CNC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)nc2c1 ZINC000091668826 193088612 /nfs/dbraw/zinc/08/86/12/193088612.db2.gz VMEXGQDPHLBFGZ-CHWSQXEVSA-N 1 0 303.431 2.249 10 0 DEAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOc1ccc(F)cc1Cl ZINC000091741667 193100428 /nfs/dbraw/zinc/10/04/28/193100428.db2.gz XRKWUTXBPVQMSN-GHMZBOCLSA-N 1 0 314.788 2.444 10 0 DEAERO C[NH2+]C1CCC(NC(=O)c2ccc(Br)cn2)CC1 ZINC000091871697 193120927 /nfs/dbraw/zinc/12/09/27/193120927.db2.gz YJAZIUYUMJVWRV-UHFFFAOYSA-N 1 0 312.211 2.105 10 0 DEAERO C[NH2+]C1CCC(NS(=O)(=O)c2ccc(Cl)cc2C)CC1 ZINC000091872390 193121353 /nfs/dbraw/zinc/12/13/53/193121353.db2.gz STCRAGFOFFUYMR-UHFFFAOYSA-N 1 0 316.854 2.457 10 0 DEAERO C[NH2+]C1CCC(NC(=O)c2cncc(Br)c2)CC1 ZINC000091871923 193121468 /nfs/dbraw/zinc/12/14/68/193121468.db2.gz QZHQXLXBFCIXMK-UHFFFAOYSA-N 1 0 312.211 2.105 10 0 DEAERO c1ccc2c(c1)CN(c1ccnc(N3CC[C@@H]4COC[C@H]4C3)n1)C2 ZINC000624408745 365412987 /nfs/dbraw/zinc/41/29/87/365412987.db2.gz DEACCNLBMRBWIN-IAGOWNOFSA-N 1 0 322.412 2.470 10 0 DEAERO C[C@](O)(c1ccc(Br)cc1)[C@]1(C[NH3+])CCOC1 ZINC000091905809 193125349 /nfs/dbraw/zinc/12/53/49/193125349.db2.gz XUGKHRZTMDFGRK-STQMWFEESA-N 1 0 300.196 2.022 10 0 DEAERO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCn2ccnc2)CC1 ZINC000091980863 193135563 /nfs/dbraw/zinc/13/55/63/193135563.db2.gz YICCIQLWKFHVAD-HNNXBMFYSA-N 1 0 302.397 2.401 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(Cl)ccc1OC[C@H]1CN(C)CCO1 ZINC000092060658 193149694 /nfs/dbraw/zinc/14/96/94/193149694.db2.gz VYEZJKZGXCUSFW-HUUCEWRRSA-N 1 0 312.841 2.329 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CSc3ccccc3O2)C1 ZINC000449790334 241091003 /nfs/dbraw/zinc/09/10/03/241091003.db2.gz 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ZINC000630581115 367738288 /nfs/dbraw/zinc/73/82/88/367738288.db2.gz XKFBXAUQGQSPAW-CALCHBBNSA-N 1 0 301.390 2.353 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc1 ZINC000092091441 193155940 /nfs/dbraw/zinc/15/59/40/193155940.db2.gz JEMKEIGZHVPEOM-ZIAGYGMSSA-N 1 0 310.463 2.461 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH2+]C(C)(C)C)o2)C[C@H]1C ZINC000092113109 193160914 /nfs/dbraw/zinc/16/09/14/193160914.db2.gz OGHKTYCSLBXDJT-TXEJJXNPSA-N 1 0 314.451 2.444 10 0 DEAERO C[NH2+]Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1 ZINC000092113950 193161668 /nfs/dbraw/zinc/16/16/68/193161668.db2.gz ZYUVRHXWWLUXOS-CHWSQXEVSA-N 1 0 310.463 2.299 10 0 DEAERO CC[C@@H](C)CN(C)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115651 193162900 /nfs/dbraw/zinc/16/29/00/193162900.db2.gz YQICBIJIVOXPFE-LLVKDONJSA-N 1 0 302.415 2.212 10 0 DEAERO C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115551 193162946 /nfs/dbraw/zinc/16/29/46/193162946.db2.gz SZUIRZGPIKNCHB-QWRGUYRKSA-N 1 0 300.399 2.236 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)CCC)c(F)c1 ZINC000092115618 193163414 /nfs/dbraw/zinc/16/34/14/193163414.db2.gz OSJYZNOMMOLVQK-UHFFFAOYSA-N 1 0 302.415 2.356 10 0 DEAERO CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115594 193163633 /nfs/dbraw/zinc/16/36/33/193163633.db2.gz HBEHSOBMYIWIRC-CYBMUJFWSA-N 1 0 314.426 2.498 10 0 DEAERO C[C@@H]1CCC[C@H](N(C)S(=O)(=O)c2ccc(C[NH3+])cc2F)C1 ZINC000092115912 193163883 /nfs/dbraw/zinc/16/38/83/193163883.db2.gz CXZHYXCBNDTAMZ-YPMHNXCESA-N 1 0 314.426 2.484 10 0 DEAERO CC1(C)C[C@@H]1NS(=O)(=O)c1ccc(C[NH2+]C2CC2)cc1F ZINC000092116026 193164030 /nfs/dbraw/zinc/16/40/30/193164030.db2.gz QBVDZAULKQUSFZ-AWEZNQCLSA-N 1 0 312.410 2.155 10 0 DEAERO C[C@H]1CCN(S(=O)(=O)c2ccc(C[NH2+]C3CC3)cc2F)C1 ZINC000092115864 193164462 /nfs/dbraw/zinc/16/44/62/193164462.db2.gz PHXNGFYBSBUSAH-NSHDSACASA-N 1 0 312.410 2.108 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)CCC(C)C)c(F)c1 ZINC000092115883 193164476 /nfs/dbraw/zinc/16/44/76/193164476.db2.gz PTGBCZKUTVIDBY-UHFFFAOYSA-N 1 0 302.415 2.212 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)C(C)(C)OC ZINC000092139096 193167642 /nfs/dbraw/zinc/16/76/42/193167642.db2.gz ILIWOSRKJLWWKH-JTQLQIEISA-N 1 0 304.232 2.047 10 0 DEAERO c1c(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)nnn1C[C@H]1CCOC1 ZINC000631162428 368053302 /nfs/dbraw/zinc/05/33/02/368053302.db2.gz VYOJPBQABWJAKS-KMFMINBZSA-N 1 0 304.438 2.231 10 0 DEAERO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631171495 368059370 /nfs/dbraw/zinc/05/93/70/368059370.db2.gz JXVDFZRXJCWUMM-PMUMKWKESA-N 1 0 312.417 2.133 10 0 DEAERO c1cc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)n(CC2CCC2)n1 ZINC000631106788 368019990 /nfs/dbraw/zinc/01/99/90/368019990.db2.gz QSQLJERUVREDNN-MRXNPFEDSA-N 1 0 311.433 2.447 10 0 DEAERO Brc1ccc(C[NH2+]C2CN(c3ccncn3)C2)cc1 ZINC000631258657 368106841 /nfs/dbraw/zinc/10/68/41/368106841.db2.gz COXVDZVMFHEMSS-UHFFFAOYSA-N 1 0 319.206 2.218 10 0 DEAERO [NH3+][C@H]1C=C[C@@H](C(=O)NCc2cc(Br)ccc2F)C1 ZINC000092206852 193173561 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DEAERO C(c1nnc(C2CC2)n1C1CC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889575 368445521 /nfs/dbraw/zinc/44/55/21/368445521.db2.gz HOMDLBIBAOGSLY-UKRRQHHQSA-N 1 0 301.438 2.064 10 0 DEAERO O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631995455 368485115 /nfs/dbraw/zinc/48/51/15/368485115.db2.gz GPVVUKBXXYIZRB-RISCZKNCSA-N 1 0 314.838 2.103 10 0 DEAERO COCC[NH2+]C[C@H]1CCCN1C[C@@H]1Cc2ccccc2S1 ZINC000092263091 193182777 /nfs/dbraw/zinc/18/27/77/193182777.db2.gz SQSRFLNZDBTDPH-CVEARBPZSA-N 1 0 306.475 2.404 10 0 DEAERO [NH3+]C[C@H](C[C@@H]1CSc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000092293062 193186058 /nfs/dbraw/zinc/18/60/58/193186058.db2.gz BLLYBHQLQIKYOQ-FRRDWIJNSA-N 1 0 311.472 2.276 10 0 DEAERO c1cc2c(c(C[N@H+]3CCCC[C@H]3CN3CCOCC3)c1)OCO2 ZINC000093011357 193193209 /nfs/dbraw/zinc/19/32/09/193193209.db2.gz HOKPUGKFFCLFIE-INIZCTEOSA-N 1 0 318.417 2.102 10 0 DEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261788154 203116323 /nfs/dbraw/zinc/11/63/23/203116323.db2.gz KBFFIZBABMRMSG-LLVKDONJSA-N 1 0 323.824 2.418 10 0 DEAERO Cc1cc(C)n(CC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)n1 ZINC000452343632 244177614 /nfs/dbraw/zinc/17/76/14/244177614.db2.gz XDUSELYHGOFHOJ-INIZCTEOSA-N 1 0 306.454 2.127 10 0 DEAERO Cc1ccc(Cl)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000261913253 203151190 /nfs/dbraw/zinc/15/11/90/203151190.db2.gz JGXKBKCAIGXULQ-OLZOCXBDSA-N 1 0 318.808 2.324 10 0 DEAERO COCC1CC[NH+](Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000093103549 193204040 /nfs/dbraw/zinc/20/40/40/193204040.db2.gz ROIICIWHEQYOFN-UHFFFAOYSA-N 1 0 307.390 2.325 10 0 DEAERO CC(C)COC[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccco1 ZINC000262489060 203306776 /nfs/dbraw/zinc/30/67/76/203306776.db2.gz ZCAWICPISIPXLH-SOUVJXGZSA-N 1 0 308.422 2.498 10 0 DEAERO O=S1(=O)CC[C@@H](C2(CCSc3ccccc3)C[NH2+]C2)C1 ZINC000093195486 193214759 /nfs/dbraw/zinc/21/47/59/193214759.db2.gz XCRCYJASBFCSFG-CYBMUJFWSA-N 1 0 311.472 2.193 10 0 DEAERO CCn1ncnc1CC1(c2ccc(Br)cc2)C[NH2+]C1 ZINC000093197104 193214906 /nfs/dbraw/zinc/21/49/06/193214906.db2.gz PCJXGARQXSBXGG-UHFFFAOYSA-N 1 0 321.222 2.144 10 0 DEAERO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262555328 203328835 /nfs/dbraw/zinc/32/88/35/203328835.db2.gz UTIKHSALXRFPMM-FZMZJTMJSA-N 1 0 324.808 2.323 10 0 DEAERO Cn1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000093222067 193217933 /nfs/dbraw/zinc/21/79/33/193217933.db2.gz YQEAPWNYCCKJEP-MRXNPFEDSA-N 1 0 324.428 2.397 10 0 DEAERO C[C@H](Cc1cccs1)N(C)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000093292165 193225833 /nfs/dbraw/zinc/22/58/33/193225833.db2.gz RDLZNSOMHLZQGZ-OLZOCXBDSA-N 1 0 316.492 2.083 10 0 DEAERO C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(S(N)(=O)=O)cc1 ZINC000093495927 193259139 /nfs/dbraw/zinc/25/91/39/193259139.db2.gz PDJAQLPUGPBXTA-OCCSQVGLSA-N 1 0 311.451 2.057 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)NCc1cc(OC)nc2ccccc12 ZINC000262705833 203387068 /nfs/dbraw/zinc/38/70/68/203387068.db2.gz MHBYBSMSQUNPIF-KRWDZBQOSA-N 1 0 301.390 2.377 10 0 DEAERO Cc1cc(C)n2c(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)cnc2n1 ZINC000093506184 193262313 /nfs/dbraw/zinc/26/23/13/193262313.db2.gz JFUUZJRTJFUROC-ZBFHGGJFSA-N 1 0 300.406 2.347 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1OC ZINC000093520945 193263381 /nfs/dbraw/zinc/26/33/81/193263381.db2.gz JUHIQZHOWJKMAD-NSHDSACASA-N 1 0 315.435 2.178 10 0 DEAERO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000093530910 193264813 /nfs/dbraw/zinc/26/48/13/193264813.db2.gz RNXKNZNPUBQFIC-LBPRGKRZSA-N 1 0 310.444 2.025 10 0 DEAERO CC[NH2+][C@]1(CO)CCC[C@@H]1CCSc1nnc(C)s1 ZINC000093622995 193275742 /nfs/dbraw/zinc/27/57/42/193275742.db2.gz HEAKIQYJFHTICM-YPMHNXCESA-N 1 0 301.481 2.469 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1ccc(OC)cc1 ZINC000093629116 193276503 /nfs/dbraw/zinc/27/65/03/193276503.db2.gz LEWHFQYJNFLKHF-MLGOLLRUSA-N 1 0 308.447 2.421 10 0 DEAERO CCc1nn(CC)c(C[C@H]([NH2+]C)[C@H](C)OC)c1Br ZINC000093690328 193290205 /nfs/dbraw/zinc/29/02/05/193290205.db2.gz DMBDYCIQOLYNIL-ONGXEEELSA-N 1 0 318.259 2.393 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000093696554 193291628 /nfs/dbraw/zinc/29/16/28/193291628.db2.gz SCAIFQYVPIBFJR-QWHCGFSZSA-N 1 0 316.492 2.379 10 0 DEAERO C[C@]([NH3+])(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000093699155 193293167 /nfs/dbraw/zinc/29/31/67/193293167.db2.gz AXWSVHQYRNPFNH-WFASDCNBSA-N 1 0 314.426 2.061 10 0 DEAERO CC1(C)CCC[C@]([NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093699232 193293178 /nfs/dbraw/zinc/29/31/78/193293178.db2.gz XBWCNMRNQJZTEL-ZFWWWQNUSA-N 1 0 302.484 2.346 10 0 DEAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCC(C)CC1 ZINC000093700186 193294061 /nfs/dbraw/zinc/29/40/61/193294061.db2.gz WJXTUQYOKLIVAT-KNIAUWFNSA-N 1 0 316.511 2.462 10 0 DEAERO CCC[NH2+][C@@H](CSCC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700430 193294198 /nfs/dbraw/zinc/29/41/98/193294198.db2.gz XTFWQEWVQPUENV-UONOGXRCSA-N 1 0 322.540 2.169 10 0 DEAERO CC(C)(C)[NH2+]CC/C=C/C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093703152 193295895 /nfs/dbraw/zinc/29/58/95/193295895.db2.gz XBKCXMGTWHJKCV-GJBLVYBDSA-N 1 0 302.484 2.383 10 0 DEAERO [NH3+][C@@]1(c2nc3cc(F)c(Br)cc3[nH]2)CCOC1 ZINC000093728932 193297943 /nfs/dbraw/zinc/29/79/43/193297943.db2.gz VOAKQISUTPQPKW-NSHDSACASA-N 1 0 300.131 2.039 10 0 DEAERO CC[NH2+][C@]1(C(N)=O)CCC[C@@H](N(CC(F)(F)F)C(C)C)C1 ZINC000093751259 193300153 /nfs/dbraw/zinc/30/01/53/193300153.db2.gz RZWJRVIPBHTFBH-DGCLKSJQSA-N 1 0 309.376 2.035 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](n2nc(C)c(Cl)c2C)C1 ZINC000093759600 193302154 /nfs/dbraw/zinc/30/21/54/193302154.db2.gz GWOOIVHJBIYYNJ-WFASDCNBSA-N 1 0 312.845 2.492 10 0 DEAERO Cc1nn([C@@H]2CCC[C@@]([NH3+])(CO)C2)c(C)c1Br ZINC000093783887 193307435 /nfs/dbraw/zinc/30/74/35/193307435.db2.gz BBZQIGOGFWNDEQ-PWSUYJOCSA-N 1 0 302.216 2.067 10 0 DEAERO Clc1cnc(Cl)nc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000093800358 193309046 /nfs/dbraw/zinc/30/90/46/193309046.db2.gz NFCMSHBUAKFOGV-BDAKNGLRSA-N 1 0 303.193 2.059 10 0 DEAERO COC(=O)[C@@]1([NH3+])CC[C@H](Sc2ncnc3ccccc32)C1 ZINC000093851634 193318562 /nfs/dbraw/zinc/31/85/62/193318562.db2.gz CMXDVKPOXDQWLM-ZUZCIYMTSA-N 1 0 303.387 2.145 10 0 DEAERO COc1ccccc1S[C@H]1CC[C@]([NH2+]C2CC2)(C(N)=O)C1 ZINC000093851854 193319049 /nfs/dbraw/zinc/31/90/49/193319049.db2.gz IFOUAXFZJRBZAN-BLLLJJGKSA-N 1 0 306.431 2.316 10 0 DEAERO CN(CC(=O)N1CCC[C@H]1c1cccs1)CC(C)(C)C[NH3+] ZINC000093874361 193322523 /nfs/dbraw/zinc/32/25/23/193322523.db2.gz HYGAXTWYXHPOFM-ZDUSSCGKSA-N 1 0 309.479 2.328 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@H]1CN(C)CCN1C ZINC000093895018 193324450 /nfs/dbraw/zinc/32/44/50/193324450.db2.gz KEQVPKLEMWCCAE-HZPDHXFCSA-N 1 0 313.848 2.246 10 0 DEAERO C[NH2+][C@H](c1ccccc1C(F)(F)F)[C@@H]1CN(C)CCN1C ZINC000093894704 193324749 /nfs/dbraw/zinc/32/47/49/193324749.db2.gz QACYFNSDJBGOEE-UONOGXRCSA-N 1 0 301.356 2.212 10 0 DEAERO CCN1CCO[C@H]([C@@H](Cc2cc(Cl)ccc2OC)[NH2+]C)C1 ZINC000093914211 193328400 /nfs/dbraw/zinc/32/84/00/193328400.db2.gz UZGGFLGPACCAMH-ZBFHGGJFSA-N 1 0 312.841 2.200 10 0 DEAERO COC(=O)c1c(NC(=O)CC2([NH3+])CCC2)sc2c1CCC2 ZINC000094295148 193356537 /nfs/dbraw/zinc/35/65/37/193356537.db2.gz UDORSWZWVYTAJZ-UHFFFAOYSA-N 1 0 308.403 2.233 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CCS(C)(=O)=O ZINC000094297250 193357233 /nfs/dbraw/zinc/35/72/33/193357233.db2.gz RWVZWHUZVKZQCL-UONOGXRCSA-N 1 0 318.870 2.095 10 0 DEAERO CCC[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)CCS(C)(=O)=O ZINC000094298128 193357553 /nfs/dbraw/zinc/35/75/53/193357553.db2.gz XXDIAOCQOMQOJC-GOEBONIOSA-N 1 0 312.479 2.092 10 0 DEAERO CCC[NH2+][C@H]1[C@@H](S(=O)(=O)C2CCOCC2)CCC1(C)C ZINC000094311588 193358693 /nfs/dbraw/zinc/35/86/93/193358693.db2.gz SGAJXYMLPJGJAE-KBPBESRZSA-N 1 0 303.468 2.137 10 0 DEAERO CC1(C)CCC[C@@H]1NS(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000094326149 193359786 /nfs/dbraw/zinc/35/97/86/193359786.db2.gz RZMWEMYLAJPIJX-ZDUSSCGKSA-N 1 0 300.399 2.141 10 0 DEAERO CC1(C)CCCC[C@H]1NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000094330530 193359803 /nfs/dbraw/zinc/35/98/03/193359803.db2.gz IIIMHPZDRVCKIP-LLVKDONJSA-N 1 0 302.465 2.454 10 0 DEAERO NC(=S)c1ccc(C(F)(F)F)nc1NCC[NH+]1CCCC1 ZINC000094336159 193360977 /nfs/dbraw/zinc/36/09/77/193360977.db2.gz GYOVZMWVNMEIPF-UHFFFAOYSA-N 1 0 318.368 2.242 10 0 DEAERO COC[C@H](O)COc1c(F)cc(C[NH2+]CC(C)C)cc1F ZINC000094348081 193363167 /nfs/dbraw/zinc/36/31/67/193363167.db2.gz XIMSGZHOWNLQNF-LBPRGKRZSA-N 1 0 303.349 2.097 10 0 DEAERO CNC(=O)[C@H](C)Oc1c(F)cc(C[NH2+]CC(C)C)cc1F ZINC000094347970 193363441 /nfs/dbraw/zinc/36/34/41/193363441.db2.gz VGRRPPKLINTQEQ-JTQLQIEISA-N 1 0 300.349 2.224 10 0 DEAERO CC(C)CNC(=O)COc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350278 193363598 /nfs/dbraw/zinc/36/35/98/193363598.db2.gz LKARBGKKJLPFNY-JTQLQIEISA-N 1 0 300.349 2.006 10 0 DEAERO CC(C)[NH2+]Cc1cc(F)c(O[C@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000094347469 193363657 /nfs/dbraw/zinc/36/36/57/193363657.db2.gz JLSWNRGBFYONAR-NSHDSACASA-N 1 0 319.373 2.029 10 0 DEAERO CCCCNC(=O)[C@H](C)Oc1c(F)cc(C[NH2+]C)cc1F ZINC000094346635 193363736 /nfs/dbraw/zinc/36/37/36/193363736.db2.gz WPALHNCVSNDCCR-JTQLQIEISA-N 1 0 300.349 2.368 10 0 DEAERO Brc1cncnc1N(CC1CC[NH2+]CC1)C1CC1 ZINC000094044469 193340803 /nfs/dbraw/zinc/34/08/03/193340803.db2.gz IGLMNBHMTSZIRE-UHFFFAOYSA-N 1 0 311.227 2.208 10 0 DEAERO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)ncc1Br ZINC000094063556 193342416 /nfs/dbraw/zinc/34/24/16/193342416.db2.gz YNVTUBKGPVGADG-JTQLQIEISA-N 1 0 312.211 2.481 10 0 DEAERO C[C@]1(c2nc(-c3ncc(Cl)cc3Cl)no2)COC[C@H]1[NH3+] ZINC000094199329 193348531 /nfs/dbraw/zinc/34/85/31/193348531.db2.gz HYMMURRUEZVWMM-PELKAZGASA-N 1 0 315.160 2.054 10 0 DEAERO CC[NH2+][C@H](c1cc(F)c(C)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000094707856 193392976 /nfs/dbraw/zinc/39/29/76/193392976.db2.gz ALOKMSGXEYTSFO-YGRLFVJLSA-N 1 0 303.374 2.359 10 0 DEAERO Cc1ccc(NS(=O)(=O)Cc2ccccc2C[NH3+])c(C)n1 ZINC000094664993 193390509 /nfs/dbraw/zinc/39/05/09/193390509.db2.gz AZGHQIOVQCXCQC-UHFFFAOYSA-N 1 0 305.403 2.099 10 0 DEAERO CCCc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+][C@@H]2C)cc1 ZINC000094665840 193390706 /nfs/dbraw/zinc/39/07/06/193390706.db2.gz GKVHCPYUUWSSTR-XJKCOSOUSA-N 1 0 310.463 2.446 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C[NH3+])CC(C)C)c1 ZINC000094697840 193391256 /nfs/dbraw/zinc/39/12/56/193391256.db2.gz CEWKGGCUTLYQQT-LLVKDONJSA-N 1 0 311.813 2.259 10 0 DEAERO CC[NH2+][C@H](C(OC)OC)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094407921 193367610 /nfs/dbraw/zinc/36/76/10/193367610.db2.gz UIXTYQLRGHWRBL-OLZOCXBDSA-N 1 0 303.468 2.276 10 0 DEAERO CC[C@@H]1CN(CCCS(=O)(=O)CC)c2ccccc2C[NH2+]1 ZINC000094421311 193368858 /nfs/dbraw/zinc/36/88/58/193368858.db2.gz KAONSLPOTAINEG-OAHLLOKOSA-N 1 0 310.463 2.200 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(N)cc1Br ZINC000094457832 193371121 /nfs/dbraw/zinc/37/11/21/193371121.db2.gz LCDVKLMKMZWXMO-MWLCHTKSSA-N 1 0 311.227 2.099 10 0 DEAERO CC1(C)CSC[C@H]([NH2+][C@@H]2CCCc3c2cnn3CCO)C1 ZINC000094488157 193372873 /nfs/dbraw/zinc/37/28/73/193372873.db2.gz VHFAMIXDZQIRNL-TZMCWYRMSA-N 1 0 309.479 2.374 10 0 DEAERO Brc1cn2ccnc2c(NCCC[NH+]2CCCC2)n1 ZINC000094490854 193373441 /nfs/dbraw/zinc/37/34/41/193373441.db2.gz AOESSVLKDVFIJT-UHFFFAOYSA-N 1 0 324.226 2.390 10 0 DEAERO CC[NH2+][C@H](Cc1ncnn1C(C)C)[C@@H]1CSCCS1 ZINC000094497988 193374613 /nfs/dbraw/zinc/37/46/13/193374613.db2.gz ORKAFVXGKRSVOF-NEPJUHHUSA-N 1 0 300.497 2.228 10 0 DEAERO CC[NH2+][C@H](Cc1nc2ccccc2n1C)[C@H]1CSCCO1 ZINC000094503608 193374755 /nfs/dbraw/zinc/37/47/55/193374755.db2.gz YTIFEENBBHUPKH-UKRRQHHQSA-N 1 0 305.447 2.226 10 0 DEAERO C[NH2+][C@H](c1cccc(Cl)c1Cl)[C@@H]1CN2CCN1CC2 ZINC000094509146 193375211 /nfs/dbraw/zinc/37/52/11/193375211.db2.gz HVAHYZAVLCEJFF-GXTWGEPZSA-N 1 0 300.233 2.254 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094509281 193375975 /nfs/dbraw/zinc/37/59/75/193375975.db2.gz VISLGOLUGQCNRQ-GJZGRUSLSA-N 1 0 314.260 2.124 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)[C@H]1CN2CCN1CC2 ZINC000094509284 193376175 /nfs/dbraw/zinc/37/61/75/193376175.db2.gz VISLGOLUGQCNRQ-HUUCEWRRSA-N 1 0 314.260 2.124 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)O1 ZINC000094571691 193381886 /nfs/dbraw/zinc/38/18/86/193381886.db2.gz GTZWNBCOELANIU-KWQFWETISA-N 1 0 306.259 2.289 10 0 DEAERO Brc1ccc2nc(N[C@@H]3CC[N@@H+](C4CC4)C3)nn2c1 ZINC000094604925 193383646 /nfs/dbraw/zinc/38/36/46/193383646.db2.gz FKPLXUZSNQFWTD-SNVBAGLBSA-N 1 0 322.210 2.140 10 0 DEAERO Brc1ccc2nc(N[C@H]3CC[N@@H+](C4CC4)C3)nn2c1 ZINC000094604926 193384128 /nfs/dbraw/zinc/38/41/28/193384128.db2.gz FKPLXUZSNQFWTD-JTQLQIEISA-N 1 0 322.210 2.140 10 0 DEAERO [NH3+]CC[C@H]1CCCN(c2nc3c(Br)cccn3n2)C1 ZINC000094608406 193384359 /nfs/dbraw/zinc/38/43/59/193384359.db2.gz LTZLVOAVTAKKIK-SNVBAGLBSA-N 1 0 324.226 2.057 10 0 DEAERO C[C@@H](Nc1nc2ccc(Br)cn2n1)[C@H]1CCC[NH2+]C1 ZINC000094607704 193384881 /nfs/dbraw/zinc/38/48/81/193384881.db2.gz ZWKJXNMKKNGSAN-ZJUUUORDSA-N 1 0 324.226 2.292 10 0 DEAERO COC1([C@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)CCOCC1 ZINC000453221666 245003175 /nfs/dbraw/zinc/00/31/75/245003175.db2.gz YEDORIIRVJSRHT-NSHDSACASA-N 1 0 316.348 2.357 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264589166 204013067 /nfs/dbraw/zinc/01/30/67/204013067.db2.gz LGMUVQWIMKEBEL-GOSISDBHSA-N 1 0 311.433 2.328 10 0 DEAERO CCc1nnsc1[C@@H](Cc1nc2ccccc2n1C)[NH2+]C ZINC000097303322 193706261 /nfs/dbraw/zinc/70/62/61/193706261.db2.gz BDFAFHHFLANBLH-GFCCVEGCSA-N 1 0 301.419 2.490 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1cccc2cccnc21 ZINC000097344632 193708980 /nfs/dbraw/zinc/70/89/80/193708980.db2.gz ZVUORCNFTVOVFA-SWLSCSKDSA-N 1 0 304.415 2.320 10 0 DEAERO COc1ccc(Cl)cc1C[C@H]([NH3+])[C@H]1CCCCS1(=O)=O ZINC000161950134 197532588 /nfs/dbraw/zinc/53/25/88/197532588.db2.gz KHWKWQKMIAZPPR-GXTWGEPZSA-N 1 0 317.838 2.186 10 0 DEAERO [NH3+]CCS[C@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000016900558 182063111 /nfs/dbraw/zinc/06/31/11/182063111.db2.gz ISZJPIYGYSGHMI-AWEZNQCLSA-N 1 0 300.383 2.164 10 0 DEAERO C[C@@H]([NH2+]CCN1CCOCC1)c1ccccc1Br ZINC000019954328 182170178 /nfs/dbraw/zinc/17/01/78/182170178.db2.gz HSHGIQDHEXODBZ-GFCCVEGCSA-N 1 0 313.239 2.432 10 0 DEAERO C[C@H](NS(=O)(=O)c1ccc(F)c(C[NH3+])c1)c1ccccc1 ZINC000020189131 182195638 /nfs/dbraw/zinc/19/56/38/182195638.db2.gz KHKXXKRXZCQIJY-NSHDSACASA-N 1 0 308.378 2.324 10 0 DEAERO CC[C@@H](C)NC(=O)COc1ccc(Br)cc1C[NH3+] ZINC000020483479 182223125 /nfs/dbraw/zinc/22/31/25/182223125.db2.gz DZKAHRWPGWORFP-SECBINFHSA-N 1 0 315.211 2.201 10 0 DEAERO O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1C[C@H](O)C[NH2+]1 ZINC000020434010 182216967 /nfs/dbraw/zinc/21/69/67/182216967.db2.gz RAUWLOXWBXFHFD-XUOSJQGZSA-N 1 0 309.580 2.308 10 0 DEAERO Nc1ccc(NC(=O)CCC[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000020562760 182232486 /nfs/dbraw/zinc/23/24/86/182232486.db2.gz KFDZDRFOGYWASB-UHFFFAOYSA-N 1 0 311.813 2.098 10 0 DEAERO O=C(Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000020505405 182225536 /nfs/dbraw/zinc/22/55/36/182225536.db2.gz DYHXQBLYUDCING-HZGVNTEJSA-N 1 0 309.580 2.308 10 0 DEAERO CC[C@@H](C)[C@H](CNC(=O)NCCC1CC[NH+](CC)CC1)OC ZINC000454658679 246035373 /nfs/dbraw/zinc/03/53/73/246035373.db2.gz QWRYUQJQHQBIEB-ZBFHGGJFSA-N 1 0 313.486 2.469 10 0 DEAERO COc1c(Cl)cc(CNCCC[NH2+]CCO)cc1Cl ZINC000020967765 182257152 /nfs/dbraw/zinc/25/71/52/182257152.db2.gz WZTVDSWJIXCKLT-UHFFFAOYSA-N 1 0 307.221 2.064 10 0 DEAERO CCCC[C@@H]([NH2+]CCNS(C)(=O)=O)c1ccc(F)cc1 ZINC000021013793 182260567 /nfs/dbraw/zinc/26/05/67/182260567.db2.gz BFVXFIZORLNKJH-CQSZACIVSA-N 1 0 302.415 2.196 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NCC(C)(C)C(C)(C)O)CC1 ZINC000454666800 246051032 /nfs/dbraw/zinc/05/10/32/246051032.db2.gz WXTQPBMCBUGLML-UHFFFAOYSA-N 1 0 313.486 2.205 10 0 DEAERO [NH3+]C[C@H](c1cccc(F)c1)N1CCN(c2nccs2)CC1 ZINC000021022954 182261672 /nfs/dbraw/zinc/26/16/72/182261672.db2.gz QICBVXVFGNSQJH-CQSZACIVSA-N 1 0 306.410 2.104 10 0 DEAERO COCC1(CCNC(=O)NCC[N@H+]2CC=C(C)CC2)CCC1 ZINC000454794901 246160486 /nfs/dbraw/zinc/16/04/86/246160486.db2.gz WJYRNCMUNLXSIQ-UHFFFAOYSA-N 1 0 309.454 2.144 10 0 DEAERO CC(C)(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)C2CCCC2)C1 ZINC000097836268 193763908 /nfs/dbraw/zinc/76/39/08/193763908.db2.gz BOCMEIGZEFZMNZ-ZDUSSCGKSA-N 1 0 302.484 2.359 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cc(Br)ccc2F)CCO1 ZINC000022218048 182313635 /nfs/dbraw/zinc/31/36/35/182313635.db2.gz RVBNBQPMPDEYGR-RNCFNFMXSA-N 1 0 317.202 2.309 10 0 DEAERO CC(C)C[C@H]([NH3+])CNS(=O)(=O)c1cc(F)ccc1Cl ZINC000097896624 193765774 /nfs/dbraw/zinc/76/57/74/193765774.db2.gz PHRICNYAMSXIDW-JTQLQIEISA-N 1 0 308.806 2.131 10 0 DEAERO C[C@@H]1CN(C(=O)c2occc2Br)C[C@@H]1[NH+](C)C ZINC000267582005 206156158 /nfs/dbraw/zinc/15/61/58/206156158.db2.gz LNOJWPOGRLSKIX-SCZZXKLOSA-N 1 0 301.184 2.064 10 0 DEAERO Cc1nnc(-c2cccc(C(=O)NCCCC[NH+](C)C)c2)o1 ZINC000530814768 284469758 /nfs/dbraw/zinc/46/97/58/284469758.db2.gz SVZWGVUUNXWKIP-UHFFFAOYSA-N 1 0 302.378 2.117 10 0 DEAERO C[NH+](C)CCN(C(=O)c1nnc(Cl)s1)C1CCCC1 ZINC000159823866 197367419 /nfs/dbraw/zinc/36/74/19/197367419.db2.gz XBMSSDAWPYITEX-UHFFFAOYSA-N 1 0 302.831 2.138 10 0 DEAERO CC[NH2+][C@H]1CCS(=O)(=O)c2c(Br)cccc21 ZINC000035763190 182787188 /nfs/dbraw/zinc/78/71/88/182787188.db2.gz FLVRCFLNBUGIPD-JTQLQIEISA-N 1 0 304.209 2.277 10 0 DEAERO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccccc2-n2cccn2)C1 ZINC000458179373 248189128 /nfs/dbraw/zinc/18/91/28/248189128.db2.gz XZWMSHUOCHMSIR-OAHLLOKOSA-N 1 0 312.417 2.334 10 0 DEAERO Cc1cc(Br)cc(C)c1NC[C@H](O)C[NH+](C)C ZINC000037883577 182934056 /nfs/dbraw/zinc/93/40/56/182934056.db2.gz OPMVPNJYTSXVHB-LBPRGKRZSA-N 1 0 301.228 2.400 10 0 DEAERO O[C@@H](C[NH2+]C[C@@H]1CCCOC1)COCc1ccc(Cl)cc1 ZINC000038045721 182979416 /nfs/dbraw/zinc/97/94/16/182979416.db2.gz ZKNCPEYQKOGUFG-HOCLYGCPSA-N 1 0 313.825 2.234 10 0 DEAERO C[NH+](C)CCn1c2c(c(SC3CCCC3)nc1=O)CCC2 ZINC000038786399 183010582 /nfs/dbraw/zinc/01/05/82/183010582.db2.gz YIXZUNWAYPRRFQ-UHFFFAOYSA-N 1 0 307.463 2.328 10 0 DEAERO C[C@@H]1C[NH+](CCC(=O)Nc2cc(Cl)ccc2N)C[C@@H](C)O1 ZINC000040162701 183041996 /nfs/dbraw/zinc/04/19/96/183041996.db2.gz IHHBDNKOSCXMKO-GHMZBOCLSA-N 1 0 311.813 2.360 10 0 DEAERO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)c(N)c2)C[C@H](C)O1 ZINC000040162710 183042723 /nfs/dbraw/zinc/04/27/23/183042723.db2.gz CHVQHULRGBHLEY-PHIMTYICSA-N 1 0 311.813 2.360 10 0 DEAERO COC(=O)c1sc(OCC[C@H]2CCC[N@@H+]2C)nc1Cl ZINC000040240554 183048622 /nfs/dbraw/zinc/04/86/22/183048622.db2.gz RQWPQBDVCMJWLY-MRVPVSSYSA-N 1 0 304.799 2.446 10 0 DEAERO Cc1cnc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)s1 ZINC000040458391 183069225 /nfs/dbraw/zinc/06/92/25/183069225.db2.gz KQQFRGVXOQPUNB-LBPRGKRZSA-N 1 0 300.387 2.441 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000040635264 183112386 /nfs/dbraw/zinc/11/23/86/183112386.db2.gz JOQDBPYMMSXSNS-GJZGRUSLSA-N 1 0 308.809 2.208 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000040630927 183111322 /nfs/dbraw/zinc/11/13/22/183111322.db2.gz MHHMMAMRYWBKAL-AAEUAGOBSA-N 1 0 317.216 2.029 10 0 DEAERO CC(C)C[C@H](CO)[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000040778225 183132622 /nfs/dbraw/zinc/13/26/22/183132622.db2.gz ZZYIHTRTETUCED-LLVKDONJSA-N 1 0 309.797 2.073 10 0 DEAERO C[NH2+]CCCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000040856033 183142934 /nfs/dbraw/zinc/14/29/34/183142934.db2.gz CSZGZLWVBSROLE-UHFFFAOYSA-N 1 0 310.419 2.352 10 0 DEAERO C[C@@H]1CC[N@H+](CCCC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000040718314 183123632 /nfs/dbraw/zinc/12/36/32/183123632.db2.gz VVZIVEYUTLJJBQ-GFCCVEGCSA-N 1 0 305.447 2.381 10 0 DEAERO Cc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)s1 ZINC000040749872 183129030 /nfs/dbraw/zinc/12/90/30/183129030.db2.gz XIGLOMPLUDYMHX-YOGCLGLASA-N 1 0 300.449 2.008 10 0 DEAERO CCOC(=O)COC[C@@H]([NH3+])c1ccc(Br)s1 ZINC000041044556 183159365 /nfs/dbraw/zinc/15/93/65/183159365.db2.gz OJDCELDRMKGDPP-SSDOTTSWSA-N 1 0 308.197 2.090 10 0 DEAERO [NH3+]Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000041139087 183172014 /nfs/dbraw/zinc/17/20/14/183172014.db2.gz KAFHJEPTYVWLKT-UHFFFAOYSA-N 1 0 309.413 2.103 10 0 DEAERO COc1ccc([C@H]([NH3+])CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000041533097 183199064 /nfs/dbraw/zinc/19/90/64/183199064.db2.gz IMYDLZXLVLHYGA-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO COc1ccc2c(N[C@H]3CCS(=O)(=O)C3)cc(C)[nH+]c2c1 ZINC000041474116 183193985 /nfs/dbraw/zinc/19/39/85/183193985.db2.gz LRVVSIASKGQKOI-NSHDSACASA-N 1 0 306.387 2.151 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(C)cc1C ZINC000041604075 183209348 /nfs/dbraw/zinc/20/93/48/183209348.db2.gz YXMJRELKGQKMIJ-CQSZACIVSA-N 1 0 305.422 2.088 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000041604078 183209559 /nfs/dbraw/zinc/20/95/59/183209559.db2.gz GAHYDCHCQMTYTG-AWEZNQCLSA-N 1 0 305.422 2.088 10 0 DEAERO CCC[NH2+]C1(c2nc(C)c(C)s2)CCS(=O)(=O)CC1 ZINC000042333248 183254998 /nfs/dbraw/zinc/25/49/98/183254998.db2.gz LGZUFWIEZQCZPT-UHFFFAOYSA-N 1 0 302.465 2.163 10 0 DEAERO CCN(CCOc1cccc(Br)c1)CCC(N)=[NH2+] ZINC000042452859 183271731 /nfs/dbraw/zinc/27/17/31/183271731.db2.gz PTGVLLDLGOCSPZ-UHFFFAOYSA-N 1 0 314.227 2.476 10 0 DEAERO NC(=S)CC[N@H+](CC(=O)Nc1ccc(Cl)cc1)C1CC1 ZINC000042546514 183283402 /nfs/dbraw/zinc/28/34/02/183283402.db2.gz HKXVSTGHWIDXBK-UHFFFAOYSA-N 1 0 311.838 2.419 10 0 DEAERO C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000042610562 183291567 /nfs/dbraw/zinc/29/15/67/183291567.db2.gz SYQQVOGESHFACX-ZFWWWQNUSA-N 1 0 302.484 2.216 10 0 DEAERO C[NH2+]Cc1cc2c(cc1OCCOCC(F)(F)F)OCO2 ZINC000042874327 183316221 /nfs/dbraw/zinc/31/62/21/183316221.db2.gz URKLZMWJUNVISR-UHFFFAOYSA-N 1 0 307.268 2.092 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CC(=O)N1CCCC1 ZINC000043052100 183332524 /nfs/dbraw/zinc/33/25/24/183332524.db2.gz DPXIIRZEMCRZRG-LRDDRELGSA-N 1 0 309.841 2.283 10 0 DEAERO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1nncs1 ZINC000043128846 183340080 /nfs/dbraw/zinc/34/00/80/183340080.db2.gz MPIUNMOQQVLVIL-UHFFFAOYSA-N 1 0 317.418 2.108 10 0 DEAERO COc1ccc(NC(=O)c2csc([C@H](C)N)n2)cc1OC ZINC000043250415 183346705 /nfs/dbraw/zinc/34/67/05/183346705.db2.gz PNMHPZJEAYORCT-QMMMGPOBSA-N 1 0 307.375 2.432 10 0 DEAERO NC(=O)CN([C@@H](C[NH3+])c1ccc(Cl)s1)C1CCCC1 ZINC000043253826 183347714 /nfs/dbraw/zinc/34/77/14/183347714.db2.gz CUQCYNQNCGVAHJ-JTQLQIEISA-N 1 0 301.843 2.131 10 0 DEAERO CCN(CC(=O)N(C)C)[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043252922 183348023 /nfs/dbraw/zinc/34/80/23/183348023.db2.gz ZRKFJTOABHSWAO-RNCFNFMXSA-N 1 0 303.859 2.200 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1nnnn1C)c1ccc(Cl)s1 ZINC000043256864 183348129 /nfs/dbraw/zinc/34/81/29/183348129.db2.gz JXTDCZKWMWGCJH-IMTBSYHQSA-N 1 0 303.844 2.496 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CCOCC1 ZINC000043284349 183350222 /nfs/dbraw/zinc/35/02/22/183350222.db2.gz IVFYRNSAYKRKLU-KWQFWETISA-N 1 0 305.241 2.231 10 0 DEAERO [NH3+][C@@H](c1cc(Br)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043299755 183351512 /nfs/dbraw/zinc/35/15/12/183351512.db2.gz XLFFUEWUIFDXEZ-WRWORJQWSA-N 1 0 322.199 2.023 10 0 DEAERO [NH3+][C@@H](c1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000043300043 183352385 /nfs/dbraw/zinc/35/23/85/183352385.db2.gz VCLCQEYSXYHCJV-GZMMTYOYSA-N 1 0 309.309 2.020 10 0 DEAERO CCCN(CCO)[C@@H](C[NH3+])c1ccccc1Br ZINC000043092674 183335984 /nfs/dbraw/zinc/33/59/84/183335984.db2.gz PTGWFVMJPCKFJL-ZDUSSCGKSA-N 1 0 301.228 2.153 10 0 DEAERO [NH3+]C[C@@H](c1ccccc1Br)N1CCCC[C@@H]1CO ZINC000043092495 183336081 /nfs/dbraw/zinc/33/60/81/183336081.db2.gz UQZLKVDNOHLUKD-RISCZKNCSA-N 1 0 313.239 2.296 10 0 DEAERO CC(C)OC(=O)COc1ccc(Br)cc1CC[NH3+] ZINC000043446757 183364381 /nfs/dbraw/zinc/36/43/81/183364381.db2.gz KFMALTGEEWABQU-UHFFFAOYSA-N 1 0 316.195 2.281 10 0 DEAERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)c(F)c2)C1 ZINC000043581122 183373092 /nfs/dbraw/zinc/37/30/92/183373092.db2.gz DCINVIQHGRPJHP-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO COC(=O)[C@@H](C)Oc1c(Br)cccc1C[C@H](C)[NH3+] ZINC000043631986 183375883 /nfs/dbraw/zinc/37/58/83/183375883.db2.gz VWTBOXJJMBRMPZ-DTWKUNHWSA-N 1 0 316.195 2.279 10 0 DEAERO Cn1cc(Cl)cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000274126048 211378021 /nfs/dbraw/zinc/37/80/21/211378021.db2.gz WWWTVICTPVTXIS-JQWIXIFHSA-N 1 0 308.769 2.264 10 0 DEAERO Cn1nccc1[C@H]1[C@H](CNc2ncc(Cl)cn2)CCC[N@@H+]1C ZINC000284517217 218061224 /nfs/dbraw/zinc/06/12/24/218061224.db2.gz CMSIQQMWPLYZSM-SMDDNHRTSA-N 1 0 320.828 2.359 10 0 DEAERO Cc1cccnc1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000105288397 194094694 /nfs/dbraw/zinc/09/46/94/194094694.db2.gz RIMYSGBKNMPHQH-UHFFFAOYSA-N 1 0 316.449 2.407 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC000105895050 194160783 /nfs/dbraw/zinc/16/07/83/194160783.db2.gz YXENIOGNACMDMN-INIZCTEOSA-N 1 0 318.465 2.432 10 0 DEAERO CCn1cc(CN2CCC[N@H+](Cc3cnc(C)s3)CC2)cn1 ZINC000105870206 194151637 /nfs/dbraw/zinc/15/16/37/194151637.db2.gz RGGHEKHLVVMMQN-UHFFFAOYSA-N 1 0 319.478 2.376 10 0 DEAERO CC(C)[NH+](CCNC(=O)NCc1cccnc1N(C)C)C(C)C ZINC000047684236 183602424 /nfs/dbraw/zinc/60/24/24/183602424.db2.gz HTKRNRRTLXOVNF-UHFFFAOYSA-N 1 0 321.469 2.066 10 0 DEAERO Cc1ccc2nc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)cn2c1 ZINC000105919419 194170944 /nfs/dbraw/zinc/17/09/44/194170944.db2.gz PYOYVZUQZWOYIK-OAHLLOKOSA-N 1 0 310.405 2.146 10 0 DEAERO CN(Cc1ccc(F)cc1)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000048876092 183693568 /nfs/dbraw/zinc/69/35/68/183693568.db2.gz MUEARQHRADUCOL-HNNXBMFYSA-N 1 0 314.426 2.120 10 0 DEAERO C[C@H]1CCC[C@H](N(C)S(=O)(=O)CCC2CC[NH2+]CC2)C1 ZINC000049014744 183701682 /nfs/dbraw/zinc/70/16/82/183701682.db2.gz JKIPZQIMIGTTBT-ZFWWWQNUSA-N 1 0 302.484 2.216 10 0 DEAERO Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000285233533 218343606 /nfs/dbraw/zinc/34/36/06/218343606.db2.gz KSPNGPIEUXMNCM-MRXNPFEDSA-N 1 0 309.373 2.144 10 0 DEAERO [NH3+]CCc1cc(Br)ccc1OC[C@@H]1CCOC1 ZINC000049689800 183754213 /nfs/dbraw/zinc/75/42/13/183754213.db2.gz AJPJCIYNOUBXLH-SNVBAGLBSA-N 1 0 300.196 2.366 10 0 DEAERO Cn1nccc1C1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000109326992 194257959 /nfs/dbraw/zinc/25/79/59/194257959.db2.gz YDOGKBWSIPPFOT-SFHVURJKSA-N 1 0 324.428 2.405 10 0 DEAERO CCCN([C@@](C)(CC)C[NH3+])S(=O)(=O)c1ccc(F)c(F)c1 ZINC000050093625 183773041 /nfs/dbraw/zinc/77/30/41/183773041.db2.gz DNUVEKJWDDWFML-AWEZNQCLSA-N 1 0 320.405 2.493 10 0 DEAERO CC(C)(C(N)=S)[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000109470690 194267624 /nfs/dbraw/zinc/26/76/24/194267624.db2.gz KHWVWFPHMCVNKR-UHFFFAOYSA-N 1 0 305.491 2.302 10 0 DEAERO COC[C@H]([NH3+])Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000109496397 194269176 /nfs/dbraw/zinc/26/91/76/194269176.db2.gz NLYPOADNMIFLSH-SNVBAGLBSA-N 1 0 301.268 2.272 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359183 183824710 /nfs/dbraw/zinc/82/47/10/183824710.db2.gz UVIVFMHZWJPDTD-KBPBESRZSA-N 1 0 312.410 2.039 10 0 DEAERO O=S(=O)(c1ccccc1OC[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000051883074 183840262 /nfs/dbraw/zinc/84/02/62/183840262.db2.gz CVWKOQOLPXYSPV-JTQLQIEISA-N 1 0 323.336 2.359 10 0 DEAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)N[C@@H]1CCCc2ccccc21 ZINC000051633306 183832708 /nfs/dbraw/zinc/83/27/08/183832708.db2.gz IPQWHEPLIFFKFI-GOEBONIOSA-N 1 0 308.447 2.126 10 0 DEAERO c1ccc(OCC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000109820992 194290442 /nfs/dbraw/zinc/29/04/42/194290442.db2.gz WEBMDLTZYWPUEL-QGZVFWFLSA-N 1 0 304.434 2.252 10 0 DEAERO C[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000109849158 194292993 /nfs/dbraw/zinc/29/29/93/194292993.db2.gz HYXBOKRMLWHACD-GFCCVEGCSA-N 1 0 318.808 2.207 10 0 DEAERO C[C@@H](NS(=O)(=O)c1ccc(CC[NH3+])s1)C1CCCCC1 ZINC000052344002 183858689 /nfs/dbraw/zinc/85/86/89/183858689.db2.gz WYVAOXVLIXGPDW-LLVKDONJSA-N 1 0 316.492 2.496 10 0 DEAERO CC(C)CCCOC[C@H](O)C[NH2+]C1(CO)CCC(C)CC1 ZINC000053118316 183889016 /nfs/dbraw/zinc/88/90/16/183889016.db2.gz WYWXYZPZYVOPTQ-AQFXKWCLSA-N 1 0 301.471 2.331 10 0 DEAERO COCC[NH2+][C@@](C)(CO)CCc1ccc(OC(F)F)cc1 ZINC000053292527 183897091 /nfs/dbraw/zinc/89/70/91/183897091.db2.gz KZRWOVWKYIFNGG-OAHLLOKOSA-N 1 0 303.349 2.208 10 0 DEAERO CC(C)[NH2+]CCn1cnc2ccc(Br)cc2c1=O ZINC000053530078 183905604 /nfs/dbraw/zinc/90/56/04/183905604.db2.gz SQJJCWWJZWVYQN-UHFFFAOYSA-N 1 0 310.195 2.157 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1NCC[C@@H]1CC[NH2+]C1 ZINC000110798244 194360000 /nfs/dbraw/zinc/36/00/00/194360000.db2.gz HQSJEHGUWQMWOS-VIFPVBQESA-N 1 0 301.312 2.216 10 0 DEAERO CNC(=O)c1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000054307611 183933629 /nfs/dbraw/zinc/93/36/29/183933629.db2.gz MZXJZMBYWBMJOZ-JTQLQIEISA-N 1 0 309.797 2.028 10 0 DEAERO CN(C(=O)c1cc(Br)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000110927635 194369868 /nfs/dbraw/zinc/36/98/68/194369868.db2.gz YZNGLPYJKPKUCI-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000110942038 194372724 /nfs/dbraw/zinc/37/27/24/194372724.db2.gz HGIXCMKODODVRL-HNNXBMFYSA-N 1 0 314.426 2.120 10 0 DEAERO CC[C@H]([NH3+])[C@@H](SCCS(C)(=O)=O)c1ccccc1F ZINC000111004257 194380717 /nfs/dbraw/zinc/38/07/17/194380717.db2.gz NHGNJWFJUIAVCD-STQMWFEESA-N 1 0 305.440 2.382 10 0 DEAERO CCC[NH2+][C@@H](CC)c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000054719077 183948992 /nfs/dbraw/zinc/94/89/92/183948992.db2.gz ZALNZONPJATTLA-KGLIPLIRSA-N 1 0 313.467 2.310 10 0 DEAERO CCOc1cc(N2CCN(CC(F)(F)F)CC2)ccc1N ZINC000111055932 194387803 /nfs/dbraw/zinc/38/78/03/194387803.db2.gz ULDOOQRRVPQDAJ-UHFFFAOYSA-N 1 0 303.328 2.352 10 0 DEAERO CC(C)[NH2+][C@](C)(CCCOc1cc(F)cc(F)c1)C(N)=O ZINC000054934146 183954982 /nfs/dbraw/zinc/95/49/82/183954982.db2.gz HABXXDQGZGXDHE-OAHLLOKOSA-N 1 0 300.349 2.366 10 0 DEAERO CCOCC[N@H+](CC)CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000111122125 194392224 /nfs/dbraw/zinc/39/22/24/194392224.db2.gz PGKKUOJYEKMQCZ-MRXNPFEDSA-N 1 0 300.443 2.110 10 0 DEAERO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1N)CC1CCOCC1 ZINC000111156120 194396574 /nfs/dbraw/zinc/39/65/74/194396574.db2.gz KFQZEPWQAAFSII-UHFFFAOYSA-N 1 0 311.813 2.219 10 0 DEAERO CN(C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000111158295 194397764 /nfs/dbraw/zinc/39/77/64/194397764.db2.gz XFBQQRRTOBCBAS-HZMBPMFUSA-N 1 0 302.340 2.462 10 0 DEAERO C[C@](O)(Cc1ccc(Br)cc1)C[C@@H]1COCC[NH2+]1 ZINC000156909406 197149252 /nfs/dbraw/zinc/14/92/52/197149252.db2.gz ZHXGFDPHHCLFOX-KGLIPLIRSA-N 1 0 314.223 2.121 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000159321116 197344602 /nfs/dbraw/zinc/34/46/02/197344602.db2.gz YWFZTTCTCSMBMQ-IINYFYTJSA-N 1 0 300.349 2.238 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C/c2ccc(OC)c(OC)c2)C1 ZINC000060416662 184149192 /nfs/dbraw/zinc/14/91/92/184149192.db2.gz IOOCDQOVUZDFOV-HQPKTYMTSA-N 1 0 318.417 2.318 10 0 DEAERO O=C(CCN1CCC[N@@H+](C2CC2)CC1)N1CCc2ccccc21 ZINC000061040910 184160527 /nfs/dbraw/zinc/16/05/27/184160527.db2.gz HFZBYCMJBXDBII-UHFFFAOYSA-N 1 0 313.445 2.136 10 0 DEAERO Cc1cc(NS(=O)(=O)CCC2CC[NH2+]CC2)ccc1F ZINC000061120364 184162196 /nfs/dbraw/zinc/16/21/96/184162196.db2.gz PPPPJTBMJJHSEG-UHFFFAOYSA-N 1 0 300.399 2.266 10 0 DEAERO Clc1ccccc1Cc1noc(CN2CCC[NH2+]CC2)n1 ZINC000061145727 184162875 /nfs/dbraw/zinc/16/28/75/184162875.db2.gz DOMMRIKZLXAHJN-UHFFFAOYSA-N 1 0 306.797 2.109 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000061230729 184166648 /nfs/dbraw/zinc/16/66/48/184166648.db2.gz BSQQMXPVGTUZKN-WOPDTQHZSA-N 1 0 310.360 2.238 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000061267545 184167120 /nfs/dbraw/zinc/16/71/20/184167120.db2.gz BMFKTMBXPDFGHI-VIFPVBQESA-N 1 0 310.419 2.208 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000061267280 184167165 /nfs/dbraw/zinc/16/71/65/184167165.db2.gz OIHXWOBLXXBRFM-LLVKDONJSA-N 1 0 300.349 2.192 10 0 DEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(Br)ccc1N(C)C ZINC000061316348 184168431 /nfs/dbraw/zinc/16/84/31/184168431.db2.gz OVSLIAQCZRJFBT-UHFFFAOYSA-N 1 0 314.227 2.452 10 0 DEAERO CCN(CC)c1nc(Cl)nc(N[C@H](C)CC[NH+](C)C)n1 ZINC000061539550 184173712 /nfs/dbraw/zinc/17/37/12/184173712.db2.gz OGVAGUAUFFPXPR-SNVBAGLBSA-N 1 0 300.838 2.123 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccc(F)cc1 ZINC000061594680 184176135 /nfs/dbraw/zinc/17/61/35/184176135.db2.gz LWZQTKBAINTFMK-UFBFGSQYSA-N 1 0 308.382 2.226 10 0 DEAERO CC(C)n1c(S[C@H](CC(N)=[NH2+])c2ccccc2)n[nH]c1=O ZINC000061595751 184176459 /nfs/dbraw/zinc/17/64/59/184176459.db2.gz KVSRAHWWSLBMJY-LLVKDONJSA-N 1 0 305.407 2.312 10 0 DEAERO CC(C)n1c(S[C@@H](c2ccc(F)cc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061595221 184176498 /nfs/dbraw/zinc/17/64/98/184176498.db2.gz HAEBHKBIGXTFHJ-JOYOIKCWSA-N 1 0 310.398 2.472 10 0 DEAERO CNc1nc(CN2CCC[C@H]2C[NH+](C)C)nc2sccc21 ZINC000061653196 184181163 /nfs/dbraw/zinc/18/11/63/184181163.db2.gz GMPZEFKETRURET-NSHDSACASA-N 1 0 305.451 2.259 10 0 DEAERO CC1(C)CC[NH+](CC(=O)Nc2cccc(C(N)=S)c2)CC1 ZINC000061820043 184188532 /nfs/dbraw/zinc/18/85/32/184188532.db2.gz BKGWNDPIMSUENB-UHFFFAOYSA-N 1 0 305.447 2.381 10 0 DEAERO COc1ccc([C@@H]([NH3+])C[C@@H](C)CC(N)=O)cc1Br ZINC000061830196 184188921 /nfs/dbraw/zinc/18/89/21/184188921.db2.gz FWXCOTCYYNWETF-KCJUWKMLSA-N 1 0 315.211 2.359 10 0 DEAERO CCc1ccc(S(=O)(=O)NCc2ccccc2C[NH3+])cc1 ZINC000061841298 184189249 /nfs/dbraw/zinc/18/92/49/184189249.db2.gz BNQMPBVSMJGCJM-UHFFFAOYSA-N 1 0 304.415 2.186 10 0 DEAERO [NH3+]C[C@@H](c1cc(Br)cs1)N1CCCOCC1 ZINC000061914531 184195474 /nfs/dbraw/zinc/19/54/74/184195474.db2.gz ZQDZZVHUJYRPEI-JTQLQIEISA-N 1 0 305.241 2.233 10 0 DEAERO CC(C)[NH2+]Cc1cnc(N2CCN(CC(F)(F)F)CC2)s1 ZINC000061948516 184197763 /nfs/dbraw/zinc/19/77/63/184197763.db2.gz BEWWBRRRJWSALA-UHFFFAOYSA-N 1 0 322.400 2.325 10 0 DEAERO CC(C)C[NH2+]C[C@H](C(C)C)N1CCN(CC(F)(F)F)CC1 ZINC000061948409 184197784 /nfs/dbraw/zinc/19/77/84/184197784.db2.gz CTSUZUBWYSODLS-CQSZACIVSA-N 1 0 309.420 2.437 10 0 DEAERO C[NH2+][C@@H]1CCCCC[C@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000061947741 184197982 /nfs/dbraw/zinc/19/79/82/184197982.db2.gz MRSHISGUQDKDLR-UONOGXRCSA-N 1 0 307.404 2.335 10 0 DEAERO COC(=O)[C@@]1(Nc2cccc(Br)c2)CC[N@H+](C)C1 ZINC000061991480 184200068 /nfs/dbraw/zinc/20/00/68/184200068.db2.gz LRRXDDOMNFAKGX-CYBMUJFWSA-N 1 0 313.195 2.108 10 0 DEAERO C[C@@H](C(=O)N(C)[C@@H](C)c1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000062028187 184202287 /nfs/dbraw/zinc/20/22/87/184202287.db2.gz KTIPMSKIGSSRFJ-STQMWFEESA-N 1 0 309.841 2.153 10 0 DEAERO CCNc1ccc(Cl)c(C(=O)NCCC[NH+]2CCCC2)n1 ZINC000062069951 184204571 /nfs/dbraw/zinc/20/45/71/184204571.db2.gz IOWZJRANKBSCLH-UHFFFAOYSA-N 1 0 310.829 2.383 10 0 DEAERO CCCN1C(=O)CC[C@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000062212211 184221389 /nfs/dbraw/zinc/22/13/89/184221389.db2.gz KWBZKJRJHADFQA-UFBFGSQYSA-N 1 0 301.184 2.443 10 0 DEAERO CC(C)(C)[NH2+]Cc1nc(CN2CCn3ccnc3C2)cs1 ZINC000062325496 184230542 /nfs/dbraw/zinc/23/05/42/184230542.db2.gz UUHVMQAJMFDPAC-UHFFFAOYSA-N 1 0 305.451 2.244 10 0 DEAERO COc1ccc(OCCS(C)(=O)=O)c(C[NH2+]C(C)(C)C)c1 ZINC000062727504 184250864 /nfs/dbraw/zinc/25/08/64/184250864.db2.gz WDUHNEWMHCGHOU-UHFFFAOYSA-N 1 0 315.435 2.007 10 0 DEAERO COCCCOc1c(Cl)cc(C[NH2+]CCOC)cc1OC ZINC000062727860 184250868 /nfs/dbraw/zinc/25/08/68/184250868.db2.gz HNMURQMQKZJYCN-UHFFFAOYSA-N 1 0 317.813 2.500 10 0 DEAERO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1O[C@H](C)C(N)=O ZINC000062727784 184251002 /nfs/dbraw/zinc/25/10/02/184251002.db2.gz WPJQFUOKEJJCFC-SECBINFHSA-N 1 0 314.813 2.489 10 0 DEAERO CCO[C@@H](C[NH3+])CN(C)Cc1ccccc1Br ZINC000062739660 184252235 /nfs/dbraw/zinc/25/22/35/184252235.db2.gz JCZRHDADRBYOMY-LBPRGKRZSA-N 1 0 301.228 2.245 10 0 DEAERO CS(=O)(=O)c1ccccc1N1CC[NH2+]Cc2ccccc21 ZINC000062819157 184253921 /nfs/dbraw/zinc/25/39/21/184253921.db2.gz RZVMNEGRRFFRBW-UHFFFAOYSA-N 1 0 302.399 2.331 10 0 DEAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062854866 184256643 /nfs/dbraw/zinc/25/66/43/184256643.db2.gz FSELFURSDCHFKR-HNNXBMFYSA-N 1 0 310.781 2.455 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062900259 184258766 /nfs/dbraw/zinc/25/87/66/184258766.db2.gz JPTNGKHGIHFXMT-HNNXBMFYSA-N 1 0 310.419 2.425 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)c1cncc(Br)c1 ZINC000063211468 184278405 /nfs/dbraw/zinc/27/84/05/184278405.db2.gz YOSHMDUSAUITQV-NWDGAFQWSA-N 1 0 312.211 2.234 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(Cc2cc(C(N)=S)ccc2F)C1 ZINC000062980063 184264211 /nfs/dbraw/zinc/26/42/11/184264211.db2.gz CZTIGZHLEOZQME-AWEZNQCLSA-N 1 0 309.454 2.376 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2nc(NC)ccc2Cl)C1 ZINC000062984865 184264725 /nfs/dbraw/zinc/26/47/25/184264725.db2.gz PMDBGJFJMKSMRL-NSHDSACASA-N 1 0 310.829 2.333 10 0 DEAERO CCN(CC)c1ccc(NS(=O)(=O)CC[NH2+]C(C)C)cc1 ZINC000062996935 184264746 /nfs/dbraw/zinc/26/47/46/184264746.db2.gz WHZOWCUGYHCUSI-UHFFFAOYSA-N 1 0 313.467 2.273 10 0 DEAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)c1cc(F)c(F)c(F)c1 ZINC000063008239 184266001 /nfs/dbraw/zinc/26/60/01/184266001.db2.gz UPIUSTABEZKOIW-UHFFFAOYSA-N 1 0 313.304 2.458 10 0 DEAERO CC[NH2+][C@H](C)c1cccc(NS(=O)(=O)CCOCC)c1 ZINC000063153864 184274186 /nfs/dbraw/zinc/27/41/86/184274186.db2.gz RNAWQDVSKNKZLC-GFCCVEGCSA-N 1 0 300.424 2.135 10 0 DEAERO CCCn1cc(Br)cc1C(=O)NCC[C@H](C)[NH3+] ZINC000063170211 184275633 /nfs/dbraw/zinc/27/56/33/184275633.db2.gz YNYWTSYIFLPRFT-VIFPVBQESA-N 1 0 302.216 2.128 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000063166838 184275732 /nfs/dbraw/zinc/27/57/32/184275732.db2.gz JBYZJIBXZSOGGF-DZGCQCFKSA-N 1 0 310.463 2.225 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000063168102 184275881 /nfs/dbraw/zinc/27/58/81/184275881.db2.gz HWRXZDVCBKWQQH-NSHDSACASA-N 1 0 320.817 2.242 10 0 DEAERO COc1ccc(C(=O)N[C@H]2CCC[C@H]2[NH3+])cc1Br ZINC000063172228 184276255 /nfs/dbraw/zinc/27/62/55/184276255.db2.gz MURNPQOBZOATAJ-MNOVXSKESA-N 1 0 313.195 2.067 10 0 DEAERO [NH3+]CCCN1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000066143065 184392989 /nfs/dbraw/zinc/39/29/89/184392989.db2.gz XQJBNNUDGDVTLL-UHFFFAOYSA-N 1 0 302.249 2.460 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1ccc(Br)c(F)c1 ZINC000159977733 197377568 /nfs/dbraw/zinc/37/75/68/197377568.db2.gz SEARGINSCHJENE-LLVKDONJSA-N 1 0 319.174 2.281 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000113454962 194593600 /nfs/dbraw/zinc/59/36/00/194593600.db2.gz ZDVAUIUAIZVQGZ-YUTCNCBUSA-N 1 0 308.372 2.478 10 0 DEAERO COc1ccc(C(=O)CCC(=O)N(C)CCC[NH+](C)C)cc1F ZINC000537214593 284987258 /nfs/dbraw/zinc/98/72/58/284987258.db2.gz MELBXZZDOPOINA-UHFFFAOYSA-N 1 0 324.396 2.207 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1[C@H](C)CCC[C@H]1C ZINC000246277793 285023788 /nfs/dbraw/zinc/02/37/88/285023788.db2.gz WNUXLICGJAWUCJ-RBSFLKMASA-N 1 0 311.470 2.221 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000247535456 285025300 /nfs/dbraw/zinc/02/53/00/285025300.db2.gz XXTIGUDCYZBRHA-QKPAOTATSA-N 1 0 311.470 2.221 10 0 DEAERO C[C@H](CO)N(C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119620052 195003897 /nfs/dbraw/zinc/00/38/97/195003897.db2.gz LLCUJBTUUREBKI-QAPCUYQASA-N 1 0 319.449 2.063 10 0 DEAERO Cc1csc2nc(C[N@@H+](C(C)C)C3CCOCC3)cc(=O)n12 ZINC000119695756 195019007 /nfs/dbraw/zinc/01/90/07/195019007.db2.gz KVYXQKUOXFRZNP-UHFFFAOYSA-N 1 0 321.446 2.454 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCc1ccc(Cl)nc1 ZINC000119809738 195039886 /nfs/dbraw/zinc/03/98/86/195039886.db2.gz ARLWUTQBMMKWHV-GFCCVEGCSA-N 1 0 312.845 2.307 10 0 DEAERO Cc1noc(Cl)c1CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119919470 195061944 /nfs/dbraw/zinc/06/19/44/195061944.db2.gz MEKPWKVUEJVUTJ-UHFFFAOYSA-N 1 0 313.829 2.416 10 0 DEAERO COC(=O)c1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000120142072 195104842 /nfs/dbraw/zinc/10/48/42/195104842.db2.gz ULMHOIYPQUKFNN-DOMZBBRYSA-N 1 0 319.405 2.323 10 0 DEAERO CN(CCC[NH+](C)C)c1nc(-c2cccnc2)nc2c1CCC2 ZINC000539396475 285075981 /nfs/dbraw/zinc/07/59/81/285075981.db2.gz IPORJTJBZPWCQI-UHFFFAOYSA-N 1 0 311.433 2.415 10 0 DEAERO CCOC(=O)Cc1csc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000159166245 197332340 /nfs/dbraw/zinc/33/23/40/197332340.db2.gz PYDMXZZMWJPRCO-DGCLKSJQSA-N 1 0 309.435 2.287 10 0 DEAERO COCCOCCCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000159132610 197330648 /nfs/dbraw/zinc/33/06/48/197330648.db2.gz WMCADDFVGXIERZ-OAHLLOKOSA-N 1 0 303.349 2.031 10 0 DEAERO Clc1nnc(CN2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000159206964 197336633 /nfs/dbraw/zinc/33/66/33/197336633.db2.gz KVGDNXIDCIYLND-UHFFFAOYSA-N 1 0 300.859 2.499 10 0 DEAERO C[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(F)c(C[NH2+]C(C)(C)C)c1 ZINC000159109775 197328451 /nfs/dbraw/zinc/32/84/51/197328451.db2.gz NUIWRCSDVBIPLI-QMTHXVAHSA-N 1 0 314.426 2.401 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N[C@H](C)CC)cc(C)c1F ZINC000159081653 197325700 /nfs/dbraw/zinc/32/57/00/197325700.db2.gz ZRMUAFFQACWLKY-LLVKDONJSA-N 1 0 302.415 2.320 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@H]2C)cc(C)c1F ZINC000159075060 197324411 /nfs/dbraw/zinc/32/44/11/197324411.db2.gz RNPPAAPCFGNNSY-GFCCVEGCSA-N 1 0 314.426 2.417 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N(C)C2CCCC2)cc(C)c1F ZINC000159062596 197323909 /nfs/dbraw/zinc/32/39/09/197323909.db2.gz JAFKYLYWVGRFTE-UHFFFAOYSA-N 1 0 314.426 2.417 10 0 DEAERO CCCN(C(C)C)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159063500 197323425 /nfs/dbraw/zinc/32/34/25/197323425.db2.gz XTHFQLFXXFAZFE-UHFFFAOYSA-N 1 0 302.415 2.402 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(CC)CC)cc(C)c1F ZINC000159049331 197321890 /nfs/dbraw/zinc/32/18/90/197321890.db2.gz FNBVQTVEHOVXJZ-UHFFFAOYSA-N 1 0 302.415 2.274 10 0 DEAERO CN(CCC(N)=[NH2+])C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159033434 197321007 /nfs/dbraw/zinc/32/10/07/197321007.db2.gz JWAPMMUYUQCTCW-UHFFFAOYSA-N 1 0 304.272 2.375 10 0 DEAERO CC[C@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)c1cc(F)ccc1C ZINC000159014275 197318857 /nfs/dbraw/zinc/31/88/57/197318857.db2.gz OJVDCXXCFCPRIN-GXTWGEPZSA-N 1 0 314.426 2.191 10 0 DEAERO CC[NH2+][C@@H]1CCCN(c2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000159002326 197318126 /nfs/dbraw/zinc/31/81/26/197318126.db2.gz OBHKCDFTRFVQQB-ZCFIWIBFSA-N 1 0 308.250 2.487 10 0 DEAERO Cc1c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cnn1C(C)(C)C ZINC000158925185 197311023 /nfs/dbraw/zinc/31/10/23/197311023.db2.gz GGNMHVRBIQCQPY-SWLSCSKDSA-N 1 0 306.454 2.405 10 0 DEAERO CCc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1C[NH3+] ZINC000158756901 197298835 /nfs/dbraw/zinc/29/88/35/197298835.db2.gz CJYZZWULWDMROO-ZIAGYGMSSA-N 1 0 308.447 2.128 10 0 DEAERO CCOCCN(C)c1ncc(Br)cc1C[NH2+]C ZINC000158339338 197264371 /nfs/dbraw/zinc/26/43/71/197264371.db2.gz KCQOOFQWYPHNLH-UHFFFAOYSA-N 1 0 302.216 2.036 10 0 DEAERO CC(C)[C@H](O)CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000158301146 197260799 /nfs/dbraw/zinc/26/07/99/197260799.db2.gz RCYASUZMHNWXOT-GOEBONIOSA-N 1 0 324.490 2.483 10 0 DEAERO CCC(CC)(CO)C[NH2+]C[C@H](CC(C)C)N1CCOCC1 ZINC000158295308 197260587 /nfs/dbraw/zinc/26/05/87/197260587.db2.gz HIJVZLIHYNYIRU-INIZCTEOSA-N 1 0 300.487 2.122 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCSC2)cc1NC(C)=O ZINC000158247631 197257030 /nfs/dbraw/zinc/25/70/30/197257030.db2.gz SBOOZNREZDOGCG-BDJLRTHQSA-N 1 0 324.446 2.172 10 0 DEAERO C[N@H+](CCc1nccs1)C[C@@H](O)COCc1ccccc1 ZINC000157708525 197209636 /nfs/dbraw/zinc/20/96/36/197209636.db2.gz WCDGOGVNIUFOSO-OAHLLOKOSA-N 1 0 306.431 2.195 10 0 DEAERO CCOCCN(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000157696215 197209011 /nfs/dbraw/zinc/20/90/11/197209011.db2.gz YRKRMLYGEOHODB-ZDUSSCGKSA-N 1 0 301.228 2.417 10 0 DEAERO Cn1ncc(Br)c1[C@@H](O)C1([NH+](C)C)CCCC1 ZINC000157660791 197205643 /nfs/dbraw/zinc/20/56/43/197205643.db2.gz GYGCXSKDAFDBFS-LLVKDONJSA-N 1 0 302.216 2.090 10 0 DEAERO CCCN[C@](C)(CC[N@H+](C)CCOC(C)C)C(=O)OCC ZINC000157513372 197192972 /nfs/dbraw/zinc/19/29/72/197192972.db2.gz VOGOYASLFAAYLL-MRXNPFEDSA-N 1 0 302.459 2.055 10 0 DEAERO COc1ccc(CC2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000157380469 197183827 /nfs/dbraw/zinc/18/38/27/197183827.db2.gz WLKDYYMRVRKEGV-QGZVFWFLSA-N 1 0 302.418 2.228 10 0 DEAERO CCCNc1nc(Cl)nc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000157399867 197184883 /nfs/dbraw/zinc/18/48/83/197184883.db2.gz GHDDODJCBPIOQU-QWRGUYRKSA-N 1 0 310.833 2.020 10 0 DEAERO O=C([O-])[C@H]1c2ccsc2CC[N@@H+]1[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000157092886 197160660 /nfs/dbraw/zinc/16/06/60/197160660.db2.gz YYXLWITVSPHZPU-LALPHHSUSA-N 1 0 306.431 2.359 10 0 DEAERO CC(C)OCCN(C)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000157122271 197164164 /nfs/dbraw/zinc/16/41/64/197164164.db2.gz BBVRANBYISMMHD-ZDUSSCGKSA-N 1 0 314.813 2.425 10 0 DEAERO Cn1nncc1[C@@H]([NH3+])c1cccc(Br)c1Cl ZINC000157038653 197157399 /nfs/dbraw/zinc/15/73/99/197157399.db2.gz XNTCMQPMBXUOIY-JTQLQIEISA-N 1 0 301.575 2.279 10 0 DEAERO C[C@](O)(Cc1ccc(Br)s1)C[C@H]1COCC[NH2+]1 ZINC000156804904 197142294 /nfs/dbraw/zinc/14/22/94/197142294.db2.gz NSPDCQQVNNTSJZ-JOYOIKCWSA-N 1 0 320.252 2.183 10 0 DEAERO O=C1C[C@@H]([NH2+]C[C@@H]2CCCCS2)C(=O)N1c1ccccc1 ZINC000156412719 197110984 /nfs/dbraw/zinc/11/09/84/197110984.db2.gz JJAFUSXANNMFAB-UONOGXRCSA-N 1 0 304.415 2.194 10 0 DEAERO Cc1cccc(S(=O)(=O)CCC[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000156479193 197117106 /nfs/dbraw/zinc/11/71/06/197117106.db2.gz MKKSLYLZIZFNDS-ZBFHGGJFSA-N 1 0 311.447 2.316 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000156278807 197100815 /nfs/dbraw/zinc/10/08/15/197100815.db2.gz KGWARVARIKSYHQ-HNNXBMFYSA-N 1 0 321.469 2.035 10 0 DEAERO Cc1cc(F)ccc1-n1ccc(C(=O)N(C)CCC[NH+](C)C)n1 ZINC000542174403 285211488 /nfs/dbraw/zinc/21/14/88/285211488.db2.gz VLOSJIIWTOVGBO-UHFFFAOYSA-N 1 0 318.396 2.344 10 0 DEAERO COC(=O)CCCCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155550552 197065769 /nfs/dbraw/zinc/06/57/69/197065769.db2.gz AISGBQCBIMIXRN-UHFFFAOYSA-N 1 0 306.406 2.211 10 0 DEAERO Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)C2 ZINC000155427329 197053823 /nfs/dbraw/zinc/05/38/23/197053823.db2.gz DGQGPIYRKMNENP-LESCRADOSA-N 1 0 316.445 2.452 10 0 DEAERO COc1cc(C)cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1O ZINC000155422066 197052737 /nfs/dbraw/zinc/05/27/37/197052737.db2.gz BQJJQLXYCAMHBC-GXTWGEPZSA-N 1 0 306.406 2.168 10 0 DEAERO CCOc1ccc(OCC(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1 ZINC000155360759 197046735 /nfs/dbraw/zinc/04/67/35/197046735.db2.gz VCDSUZFHJKDHPZ-ZIAGYGMSSA-N 1 0 306.406 2.015 10 0 DEAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](CCN3CCCC3=O)C2)cc1 ZINC000155257889 197038135 /nfs/dbraw/zinc/03/81/35/197038135.db2.gz OZVKEUYTJIVQOW-GOEBONIOSA-N 1 0 302.418 2.495 10 0 DEAERO CC(C)[NH+](CCNC(=O)N1CCC(c2cc[nH]n2)CC1)C(C)C ZINC000155106986 197022755 /nfs/dbraw/zinc/02/27/55/197022755.db2.gz JHJOIDVZCYAASH-UHFFFAOYSA-N 1 0 321.469 2.418 10 0 DEAERO Cc1ccc(C[N@H+]2CC[C@@H]3O[C@H](C(=O)N(C)C)CC[C@@H]32)s1 ZINC000247967375 257112982 /nfs/dbraw/zinc/11/29/82/257112982.db2.gz GUPGIOWPJQVQDN-KKUMJFAQSA-N 1 0 308.447 2.267 10 0 DEAERO c1cc(CN2C[C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C2)ccn1 ZINC000247954413 257114123 /nfs/dbraw/zinc/11/41/23/257114123.db2.gz ZKXRGQZQRGZTND-KSZLIROESA-N 1 0 301.434 2.014 10 0 DEAERO O=C1NC(c2ccccc2)=N[C@]12CC[C@H]1C[N@H+](CC3CC3)C[C@H]12 ZINC000247799559 257117647 /nfs/dbraw/zinc/11/76/47/257117647.db2.gz FEDNFBHTBICJOQ-FCEWJHQRSA-N 1 0 309.413 2.054 10 0 DEAERO CCc1cc(=O)[nH]c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000121623211 195318218 /nfs/dbraw/zinc/31/82/18/195318218.db2.gz WNGSFTXKESQDIN-CABCVRRESA-N 1 0 304.438 2.192 10 0 DEAERO CC[C@@H]1N[C@@H](c2ccsc2)N([C@@H](C)C[NH+]2CCCC2)C1=O ZINC000121957556 195380962 /nfs/dbraw/zinc/38/09/62/195380962.db2.gz VCQLWEQCKZRVJS-AEGPPILISA-N 1 0 307.463 2.441 10 0 DEAERO C[NH2+]Cc1cc(CN2CCN(CC(F)(F)F)CC2)c(C)s1 ZINC000122990377 195530086 /nfs/dbraw/zinc/53/00/86/195530086.db2.gz QLKUDDHOVAAMPF-UHFFFAOYSA-N 1 0 321.412 2.456 10 0 DEAERO CCN1CC[C@@H](NC(=O)[C@@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000261880223 285375305 /nfs/dbraw/zinc/37/53/05/285375305.db2.gz SZUYHMYZKJBIJM-OWYVNGRQSA-N 1 0 313.804 2.078 10 0 DEAERO CCc1nc(Br)cc(N(C)CCC[NH+](C)C)n1 ZINC000124488878 195647020 /nfs/dbraw/zinc/64/70/20/195647020.db2.gz WQHQMWGJXXVUKB-UHFFFAOYSA-N 1 0 301.232 2.189 10 0 DEAERO CCc1nn(C)c(CC(=O)CC[C@@H](C)C[NH3+])c1Br ZINC000125277733 195731717 /nfs/dbraw/zinc/73/17/17/195731717.db2.gz HEYBBQKOJSOGPA-SECBINFHSA-N 1 0 316.243 2.232 10 0 DEAERO COCCOCCOCCOCCCCC[NH2+]CC(C)C ZINC000127119192 195851429 /nfs/dbraw/zinc/85/14/29/195851429.db2.gz BNMSOAXMAUOXNN-UHFFFAOYSA-N 1 0 305.459 2.099 10 0 DEAERO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC([NH+](C)C)CC1 ZINC000128006490 195927889 /nfs/dbraw/zinc/92/78/89/195927889.db2.gz NTPZYCGOEOQNOP-GFCCVEGCSA-N 1 0 300.406 2.010 10 0 DEAERO COCC[NH2+]C[C@H](CCCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000128064723 195932387 /nfs/dbraw/zinc/93/23/87/195932387.db2.gz BXTAAVIRACUVBR-GJZGRUSLSA-N 1 0 305.484 2.100 10 0 DEAERO C[NH2+]Cc1cc(O[C@@H](C)C(=O)OC)ccc1Br ZINC000128075842 195933853 /nfs/dbraw/zinc/93/38/53/195933853.db2.gz XFXKFZRRCIOAEU-QMMMGPOBSA-N 1 0 302.168 2.109 10 0 DEAERO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)[C@@H]1CCCO1 ZINC000189191116 533371616 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O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247314567 145132775 /nfs/dbraw/zinc/13/27/75/145132775.db2.gz HRSBPRRBUWCVPO-FPMFFAJLSA-N 1 0 306.356 2.375 10 0 DEAERO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247314581 145132891 /nfs/dbraw/zinc/13/28/91/145132891.db2.gz HRSBPRRBUWCVPO-IACUBPJLSA-N 1 0 306.356 2.375 10 0 DEAERO CC(C)[C@@H](CNC(=O)N[C@@H](C)[C@H](C)CO)[NH+]1CCC(C)CC1 ZINC000247320877 145133141 /nfs/dbraw/zinc/13/31/41/145133141.db2.gz WVTFVCGYHADHBJ-OWCLPIDISA-N 1 0 313.486 2.059 10 0 DEAERO COc1ccc(OC)c(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000247361344 145134846 /nfs/dbraw/zinc/13/48/46/145134846.db2.gz QMXNBKGPGBBFFJ-STQMWFEESA-N 1 0 319.405 2.404 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1N(C)C ZINC000247364171 145134911 /nfs/dbraw/zinc/13/49/11/145134911.db2.gz QWVVOCRMOGYNMJ-KBPBESRZSA-N 1 0 302.422 2.453 10 0 DEAERO Cc1nc(-c2ccncc2)nc(N2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000247406531 145136223 /nfs/dbraw/zinc/13/62/23/145136223.db2.gz PUSSLLKNXUAXNX-INIZCTEOSA-N 1 0 309.417 2.440 10 0 DEAERO Cc1cc(C)cc(NC(=O)CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000247523164 145140236 /nfs/dbraw/zinc/14/02/36/145140236.db2.gz WWRZZDSEEXWNLF-NVXWUHKLSA-N 1 0 301.434 2.410 10 0 DEAERO C[C@H]1Cc2ccccc2N1C(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247555247 145140835 /nfs/dbraw/zinc/14/08/35/145140835.db2.gz ZPQFJOXZFFTLBL-ZMSDIMECSA-N 1 0 313.445 2.133 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000248124213 145148176 /nfs/dbraw/zinc/14/81/76/145148176.db2.gz NRSKWINMHACEAT-NUJGCVRESA-N 1 0 323.481 2.055 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(Cc3cnn(-c4ccccc4)n3)CC[C@H]21 ZINC000248161576 145149392 /nfs/dbraw/zinc/14/93/92/145149392.db2.gz SGFNAQZOKAWWDR-CRAIPNDOSA-N 1 0 311.433 2.183 10 0 DEAERO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000248491752 145156738 /nfs/dbraw/zinc/15/67/38/145156738.db2.gz OEOIGGVMDQNUFD-SQWLQELKSA-N 1 0 321.417 2.440 10 0 DEAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248566003 145159452 /nfs/dbraw/zinc/15/94/52/145159452.db2.gz OULODAFJVQYOQR-KFWWJZLASA-N 1 0 316.511 2.462 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2nc(N(C)C)no2)C1 ZINC000248582985 145159959 /nfs/dbraw/zinc/15/99/59/145159959.db2.gz UBZAPPQELCEIAU-CABCVRRESA-N 1 0 321.469 2.222 10 0 DEAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2nc(N(C)C)no2)C1 ZINC000248582988 145160201 /nfs/dbraw/zinc/16/02/01/145160201.db2.gz UBZAPPQELCEIAU-GJZGRUSLSA-N 1 0 321.469 2.222 10 0 DEAERO Cc1c(-c2cc(CN3CC[N@@H+]4CCCC[C@H]4C3)on2)cnn1C ZINC000248619527 145161724 /nfs/dbraw/zinc/16/17/24/145161724.db2.gz MBIILBGBGCPDGG-AWEZNQCLSA-N 1 0 315.421 2.054 10 0 DEAERO OCC(F)(F)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248714351 145164919 /nfs/dbraw/zinc/16/49/19/145164919.db2.gz KCXCTLSILGEUEI-OWCLPIDISA-N 1 0 310.388 2.114 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H](O)c1ccccc1 ZINC000248798883 145168079 /nfs/dbraw/zinc/16/80/79/145168079.db2.gz JLVSAYNDWNSUGE-LZQZEXGQSA-N 1 0 324.424 2.357 10 0 DEAERO COc1ccc(C)nc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000248833711 145169140 /nfs/dbraw/zinc/16/91/40/145169140.db2.gz MUWJUESTESNEMO-CHWSQXEVSA-N 1 0 304.394 2.099 10 0 DEAERO Cc1nc(CC(C)C)oc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248876580 145171157 /nfs/dbraw/zinc/17/11/57/145171157.db2.gz CVMFDUUSOUVZTA-OCCSQVGLSA-N 1 0 305.422 2.490 10 0 DEAERO C[N@H+](C[C@H](O)CC1CCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000248991228 145175012 /nfs/dbraw/zinc/17/50/12/145175012.db2.gz YJHRGJQCKKPKEO-DLBZAZTESA-N 1 0 318.465 2.318 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nccc(OC)c1OC ZINC000249046508 145176619 /nfs/dbraw/zinc/17/66/19/145176619.db2.gz HKOBBROTSNNUOC-KBPBESRZSA-N 1 0 305.422 2.157 10 0 DEAERO C[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)CCN1CC(F)(F)F ZINC000249107915 145178950 /nfs/dbraw/zinc/17/89/50/145178950.db2.gz QRSUNLQOPNIPHU-TZMCWYRMSA-N 1 0 308.388 2.496 10 0 DEAERO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000249413130 145184068 /nfs/dbraw/zinc/18/40/68/145184068.db2.gz YLTHHKADKRTCGY-GVDBMIGSSA-N 1 0 313.445 2.450 10 0 DEAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000249614643 145188163 /nfs/dbraw/zinc/18/81/63/145188163.db2.gz QCVZVKVBYADPJQ-HIFRSBDPSA-N 1 0 310.463 2.225 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)Cc2ccccc2)CC[C@H]1C ZINC000252059674 145198549 /nfs/dbraw/zinc/19/85/49/145198549.db2.gz ZQLJPTHFNGKEGJ-BFYDXBDKSA-N 1 0 304.434 2.390 10 0 DEAERO O=C(NCCc1ccc(OCc2ccccc2)cc1)C1C[NH2+]C1 ZINC000261556566 145208193 /nfs/dbraw/zinc/20/81/93/145208193.db2.gz WCVMPCMPBQNVDL-UHFFFAOYSA-N 1 0 310.397 2.144 10 0 DEAERO C[C@H]1CCN(c2ncnc3c2cnn3-c2ccccc2)[C@@H](C[NH3+])C1 ZINC000261606125 145209718 /nfs/dbraw/zinc/20/97/18/145209718.db2.gz CRUSDJCXKFQIIT-DZGCQCFKSA-N 1 0 322.416 2.379 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)CCC1CCOCC1 ZINC000261673095 145215589 /nfs/dbraw/zinc/21/55/89/145215589.db2.gz GOKOKJMHYYBATL-UHFFFAOYSA-N 1 0 304.434 2.223 10 0 DEAERO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261675862 145215760 /nfs/dbraw/zinc/21/57/60/145215760.db2.gz CXRHRESCKGGDCJ-IJEWVQPXSA-N 1 0 323.481 2.047 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261682759 145216305 /nfs/dbraw/zinc/21/63/05/145216305.db2.gz HBXODCGIKPOYPR-HZMBPMFUSA-N 1 0 311.376 2.351 10 0 DEAERO CC(=O)NC1(c2nc(-c3ccc(C[NH3+])cc3)no2)CCCCC1 ZINC000261692706 145217299 /nfs/dbraw/zinc/21/72/99/145217299.db2.gz BBAQEHVYWAVNMM-UHFFFAOYSA-N 1 0 314.389 2.491 10 0 DEAERO CC(C)CO[C@H](C)c1noc(CN(C)C[C@]2(C)CC[NH2+]C2)n1 ZINC000261705558 145218252 /nfs/dbraw/zinc/21/82/52/145218252.db2.gz CYTVSTDPYKLDMD-CZUORRHYSA-N 1 0 310.442 2.235 10 0 DEAERO C[C@H]([NH3+])CC(=O)NCc1cc(Oc2ccc(F)cc2)ccn1 ZINC000261709876 145218742 /nfs/dbraw/zinc/21/87/42/145218742.db2.gz DHKNWKHPDRIFFI-NSHDSACASA-N 1 0 303.337 2.367 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261713265 145219068 /nfs/dbraw/zinc/21/90/68/145219068.db2.gz KUHMGYNQARTPBR-UHFFFAOYSA-N 1 0 301.321 2.133 10 0 DEAERO C[C@@H]([NH3+])CC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000261717490 145219630 /nfs/dbraw/zinc/21/96/30/145219630.db2.gz DXPUTPJDDPRWLK-LLVKDONJSA-N 1 0 303.337 2.367 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)O1 ZINC000261757641 145223477 /nfs/dbraw/zinc/22/34/77/145223477.db2.gz FCOJRRSZJAJSHC-TWMKSMIVSA-N 1 0 302.418 2.335 10 0 DEAERO O=C(Cc1cccc2cccnc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261771226 145224278 /nfs/dbraw/zinc/22/42/78/145224278.db2.gz KLIRNTSULPYPDC-CALCHBBNSA-N 1 0 309.413 2.235 10 0 DEAERO O=C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1cc(F)cc(F)c1 ZINC000261793309 145227381 /nfs/dbraw/zinc/22/73/81/145227381.db2.gz UDPUEEXSPMUJJQ-INIZCTEOSA-N 1 0 323.387 2.367 10 0 DEAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000261802250 145227941 /nfs/dbraw/zinc/22/79/41/145227941.db2.gz RWUDSCCMBQZIJK-ZDUSSCGKSA-N 1 0 312.479 2.487 10 0 DEAERO Cc1cccn2c(CN3CC[NH2+]C[C@@H]3c3cccnc3)cnc12 ZINC000261817662 145230089 /nfs/dbraw/zinc/23/00/89/145230089.db2.gz XOPCYKSJVORGJQ-QGZVFWFLSA-N 1 0 307.401 2.184 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc2c[nH]nc2c1 ZINC000261823502 145230350 /nfs/dbraw/zinc/23/03/50/145230350.db2.gz HOMYKGBMAMUOKU-MRRJBJDNSA-N 1 0 314.389 2.034 10 0 DEAERO Cc1ccc(CNC(=O)[C@@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828752 145231051 /nfs/dbraw/zinc/23/10/51/145231051.db2.gz YNNCOBDBWCEATP-GDBMZVCRSA-N 1 0 303.450 2.059 10 0 DEAERO COc1ccc(O[C@@H](C)C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000261832560 145231934 /nfs/dbraw/zinc/23/19/34/145231934.db2.gz OWACDNBYXQTKJV-AWEZNQCLSA-N 1 0 318.417 2.065 10 0 DEAERO COc1ccc(CNC(=O)C[C@@H](C)[NH3+])c(OC2CCCC2)c1 ZINC000261832578 145232149 /nfs/dbraw/zinc/23/21/49/145232149.db2.gz NFIIRHDPQAPMMP-GFCCVEGCSA-N 1 0 306.406 2.370 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)CC(=O)Nc1cccc(F)c1 ZINC000261846553 145233149 /nfs/dbraw/zinc/23/31/49/145233149.db2.gz XKUBPSNICTZPIG-UHFFFAOYSA-N 1 0 315.392 2.268 10 0 DEAERO C[C@H](NC(=O)[C@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000261883664 145236806 /nfs/dbraw/zinc/23/68/06/145236806.db2.gz UVSNKKZSXANXLS-HEHGZKQESA-N 1 0 321.440 2.451 10 0 DEAERO [NH3+]C1(c2noc(Cn3ccc(=O)c4ccccc43)n2)CCCC1 ZINC000261888108 145237604 /nfs/dbraw/zinc/23/76/04/145237604.db2.gz XDMCQUGIYRKDAU-UHFFFAOYSA-N 1 0 310.357 2.161 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc2c(c1)OCCO2 ZINC000261908206 145240568 /nfs/dbraw/zinc/24/05/68/145240568.db2.gz SQALVKGYTFMXCV-ZKHDCCDFSA-N 1 0 316.401 2.094 10 0 DEAERO [NH3+]C1(C(=O)Nc2cccc(SC(F)F)c2)CCOCC1 ZINC000261919493 145242079 /nfs/dbraw/zinc/24/20/79/145242079.db2.gz UTWLFSSHFBNMOE-UHFFFAOYSA-N 1 0 302.346 2.448 10 0 DEAERO COc1ccccc1[C@]1(C)C[C@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261926980 145242826 /nfs/dbraw/zinc/24/28/26/145242826.db2.gz YJBSILOUYFNEEE-XCRHUMRWSA-N 1 0 302.418 2.231 10 0 DEAERO c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261930924 145243247 /nfs/dbraw/zinc/24/32/47/145243247.db2.gz LRSOFNUCDBZMPP-VDHUWJSZSA-N 1 0 316.445 2.299 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CCOCC1 ZINC000261933293 145244113 /nfs/dbraw/zinc/24/41/13/145244113.db2.gz WOVGKTGWWCEWSD-UHFFFAOYSA-N 1 0 308.353 2.203 10 0 DEAERO CC(C)c1csc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)n1 ZINC000261939797 145244802 /nfs/dbraw/zinc/24/48/02/145244802.db2.gz MQMCCPMSJMIGIT-UHFFFAOYSA-N 1 0 319.434 2.180 10 0 DEAERO COc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000261956884 145246758 /nfs/dbraw/zinc/24/67/58/145246758.db2.gz XGLMHRZWPRDUNM-HYSWKAIVSA-N 1 0 322.380 2.305 10 0 DEAERO COC(=O)c1c(C)cccc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261957917 145246878 /nfs/dbraw/zinc/24/68/78/145246878.db2.gz RENHXFZPLBKXGJ-LBPRGKRZSA-N 1 0 302.374 2.110 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C12CCC2 ZINC000261958366 145247222 /nfs/dbraw/zinc/24/72/22/145247222.db2.gz PFIWJUZMMVREIE-BQJWPVKWSA-N 1 0 308.466 2.081 10 0 DEAERO Fc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1F ZINC000261966143 145247793 /nfs/dbraw/zinc/24/77/93/145247793.db2.gz QBNBAMBMIMWEBT-FVQBIDKESA-N 1 0 310.388 2.254 10 0 DEAERO [NH3+]C1(c2noc([C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)n2)CCC1 ZINC000262007651 145252986 /nfs/dbraw/zinc/25/29/86/145252986.db2.gz USAHJWAJLNQUTD-NEPJUHHUSA-N 1 0 313.357 2.450 10 0 DEAERO [NH3+]CC1(C(=O)N2CCSC3(CCCCC3)C2)CCOCC1 ZINC000262025608 145254579 /nfs/dbraw/zinc/25/45/79/145254579.db2.gz WZSJDYKQQBCWMU-UHFFFAOYSA-N 1 0 312.479 2.020 10 0 DEAERO Cc1oc(-c2ccco2)nc1CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262024063 145254657 /nfs/dbraw/zinc/25/46/57/145254657.db2.gz OXSOTTAVIAGJGZ-AWEZNQCLSA-N 1 0 317.389 2.371 10 0 DEAERO C[C@@H](CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1)NC(=O)C1CCCCC1 ZINC000262108971 145262147 /nfs/dbraw/zinc/26/21/47/145262147.db2.gz VOWWONUXTCDAQC-ZFWWWQNUSA-N 1 0 323.481 2.047 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCc1ccccc1N ZINC000262290718 145273523 /nfs/dbraw/zinc/27/35/23/145273523.db2.gz NDRBDCYJXLFTOZ-GOEBONIOSA-N 1 0 301.434 2.287 10 0 DEAERO C[NH2+]CCC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000262310869 145275680 /nfs/dbraw/zinc/27/56/80/145275680.db2.gz BSMFMYHGIAGZCX-CYBMUJFWSA-N 1 0 316.323 2.215 10 0 DEAERO Cc1cc(Br)ccc1CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262352999 145278643 /nfs/dbraw/zinc/27/86/43/145278643.db2.gz GMVGQRYEOOBBPH-SNVBAGLBSA-N 1 0 311.223 2.229 10 0 DEAERO Cc1noc(C)c1C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000262387425 145280501 /nfs/dbraw/zinc/28/05/01/145280501.db2.gz NUPXYWLBQWKMFA-GJZGRUSLSA-N 1 0 317.364 2.306 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000262395756 145281167 /nfs/dbraw/zinc/28/11/67/145281167.db2.gz BVNYBEIDATTWBK-HNNXBMFYSA-N 1 0 322.405 2.421 10 0 DEAERO O=S(=O)(c1cccc2ccccc21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000262433826 145283511 /nfs/dbraw/zinc/28/35/11/145283511.db2.gz GBZYIDCJRBTOAV-HOCLYGCPSA-N 1 0 316.426 2.212 10 0 DEAERO C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)[N@@H+]1CCCC[C@@H]1C ZINC000262438493 145284603 /nfs/dbraw/zinc/28/46/03/145284603.db2.gz UOQBEJPMOYKWRI-NBOOPKSLSA-N 1 0 307.482 2.145 10 0 DEAERO COc1ccc(C)cc1NC(=O)CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000262460730 145285015 /nfs/dbraw/zinc/28/50/15/145285015.db2.gz IOZDGXMEEIJPLY-UONOGXRCSA-N 1 0 305.422 2.001 10 0 DEAERO COc1ccc(C)cc1NC(=O)CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000262460715 145285240 /nfs/dbraw/zinc/28/52/40/145285240.db2.gz IOZDGXMEEIJPLY-KBPBESRZSA-N 1 0 305.422 2.001 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1)C1C[NH2+]C1 ZINC000262479195 145286356 /nfs/dbraw/zinc/28/63/56/145286356.db2.gz ZGUULYOKUUGVQB-GFCCVEGCSA-N 1 0 324.384 2.128 10 0 DEAERO COc1cccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000262504449 145288703 /nfs/dbraw/zinc/28/87/03/145288703.db2.gz MIGXXBWNARESKH-JJRVBVJISA-N 1 0 304.390 2.166 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000262521331 145289503 /nfs/dbraw/zinc/28/95/03/145289503.db2.gz ZSRZJNVRDTXWBJ-ZONIWEOESA-N 1 0 306.356 2.468 10 0 DEAERO CN1CC[C@H](NC(=O)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000262524334 145289853 /nfs/dbraw/zinc/28/98/53/145289853.db2.gz FYXMTPWZNDVDTC-JKSUJKDBSA-N 1 0 321.852 2.201 10 0 DEAERO CN(C(=O)c1cc2ccccc2oc1=O)[C@@H]1CCC[NH2+]CC1 ZINC000262552042 145291983 /nfs/dbraw/zinc/29/19/83/145291983.db2.gz SPLSLGDHVJIHPQ-CYBMUJFWSA-N 1 0 300.358 2.007 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000262565402 145293325 /nfs/dbraw/zinc/29/33/25/145293325.db2.gz CLLRJOWWLFGXFQ-BBRMVZONSA-N 1 0 320.481 2.284 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@@H]3CCC[C@H]3C[NH3+])nc21 ZINC000262579186 145294828 /nfs/dbraw/zinc/29/48/28/145294828.db2.gz LHKARSUQAIFLPW-QWHCGFSZSA-N 1 0 300.406 2.048 10 0 DEAERO CCC([NH3+])(CC)CNC(=O)CCc1nc2c(cccc2C)[nH]1 ZINC000262608145 145295994 /nfs/dbraw/zinc/29/59/94/145295994.db2.gz CEFHEDWZWBTTTI-UHFFFAOYSA-N 1 0 302.422 2.438 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)nc21 ZINC000262637896 145297638 /nfs/dbraw/zinc/29/76/38/145297638.db2.gz PHUPAMRGTUUFKI-KGLIPLIRSA-N 1 0 312.417 2.157 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000262790516 145304807 /nfs/dbraw/zinc/30/48/07/145304807.db2.gz ROEAUSOFEHEFKH-LDYMZIIASA-N 1 0 323.245 2.270 10 0 DEAERO CC[C@@H](Oc1ccccc1C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263131022 145328549 /nfs/dbraw/zinc/32/85/49/145328549.db2.gz BRHGCWRGEWLRQL-UONOGXRCSA-N 1 0 316.405 2.484 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2c[nH]cc2-c2ccccc2)n1 ZINC000263164863 145331678 /nfs/dbraw/zinc/33/16/78/145331678.db2.gz FDDJGSQQLQEPBG-OAHLLOKOSA-N 1 0 309.373 2.308 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(/C=C/c2c(F)cccc2F)n1 ZINC000263179022 145333178 /nfs/dbraw/zinc/33/31/78/145333178.db2.gz GNLMYTDYAMMADX-URWSZGRFSA-N 1 0 306.316 2.094 10 0 DEAERO COc1cccc([C@H](C)Cc2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263199773 145335669 /nfs/dbraw/zinc/33/56/69/145335669.db2.gz IWEWKGHTSQDFMG-IUODEOHRSA-N 1 0 316.405 2.001 10 0 DEAERO Cc1ccccc1[C@@H](C)Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263201416 145335700 /nfs/dbraw/zinc/33/57/00/145335700.db2.gz JCISNKGATXQNAQ-DZGCQCFKSA-N 1 0 300.406 2.300 10 0 DEAERO Cc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c(C)n1C(C)C ZINC000263224604 145338511 /nfs/dbraw/zinc/33/85/11/145338511.db2.gz MOLHXQFXTYLWGM-AWEZNQCLSA-N 1 0 303.410 2.312 10 0 DEAERO c1ccc(N2CCO[C@@H](C[N@@H+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC000565174496 292140832 /nfs/dbraw/zinc/14/08/32/292140832.db2.gz WYWRRLKRWHXHDN-RBUKOAKNSA-N 1 0 316.445 2.394 10 0 DEAERO CCOc1ccccc1-n1nnnc1SC[C@@H](C)[NH+](C)C ZINC000358848292 147218433 /nfs/dbraw/zinc/21/84/33/147218433.db2.gz AOEJPPRYIBPYOP-LLVKDONJSA-N 1 0 307.423 2.103 10 0 DEAERO COc1ccc(C)cc1-n1nnnc1SC[C@@H](C)[NH+](C)C ZINC000358863860 147220646 /nfs/dbraw/zinc/22/06/46/147220646.db2.gz SOXPWQCLVYBKOR-LLVKDONJSA-N 1 0 307.423 2.022 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)NC[C@](C)(O)C2CCCCC2)CC[N@@H+]1C ZINC000358924198 147232258 /nfs/dbraw/zinc/23/22/58/147232258.db2.gz DCCSANPGIXERQH-UNEWFSDZSA-N 1 0 311.470 2.100 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000359064886 147255864 /nfs/dbraw/zinc/25/58/64/147255864.db2.gz XRLCJPKQUCPSKU-HNNXBMFYSA-N 1 0 309.454 2.071 10 0 DEAERO CO[C@@H](C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000359530577 147344907 /nfs/dbraw/zinc/34/49/07/147344907.db2.gz QZYBFHWKWQZYAP-GJZGRUSLSA-N 1 0 304.434 2.438 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360712964 147372593 /nfs/dbraw/zinc/37/25/93/147372593.db2.gz KUZYVWGBOARAIX-DOMZBBRYSA-N 1 0 315.421 2.045 10 0 DEAERO COC[C@H](C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)OC ZINC000361272907 147479799 /nfs/dbraw/zinc/47/97/99/147479799.db2.gz QLUFMRPVZFOYQE-HNNXBMFYSA-N 1 0 309.406 2.393 10 0 DEAERO C/C=C\c1ccc(OCC(=O)N2CCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000565769808 292180836 /nfs/dbraw/zinc/18/08/36/292180836.db2.gz SIAVMYRJJWVCBI-OMVNSRBRSA-N 1 0 318.417 2.447 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Cl)nc1 ZINC000374525847 148256471 /nfs/dbraw/zinc/25/64/71/148256471.db2.gz CTJSXESREAWHJR-BXUZGUMPSA-N 1 0 323.824 2.166 10 0 DEAERO C[C@@H]1OCC[C@]1(O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000565812084 292183124 /nfs/dbraw/zinc/18/31/24/292183124.db2.gz SVKHMYXQCJFSJV-IDCNUPLLSA-N 1 0 305.418 2.284 10 0 DEAERO C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000565812086 292183338 /nfs/dbraw/zinc/18/33/38/292183338.db2.gz SVKHMYXQCJFSJV-MVJTYMMSSA-N 1 0 305.418 2.284 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCO[C@H](c3ccsc3)C2)C1 ZINC000127116859 401721191 /nfs/dbraw/zinc/72/11/91/401721191.db2.gz SDHLQWQQPZKRIB-ZFWWWQNUSA-N 1 0 323.462 2.173 10 0 DEAERO CCC(CC)(C[NH3+])NS(=O)(=O)c1cccc(Cl)c1C ZINC000111832242 401725158 /nfs/dbraw/zinc/72/51/58/401725158.db2.gz AUKKSINMKHXATF-UHFFFAOYSA-N 1 0 304.843 2.444 10 0 DEAERO C[NH+](C)C1(CNC(=O)NC2CCC(C)(C)CC2)CCOCC1 ZINC000074223839 401733601 /nfs/dbraw/zinc/73/36/01/401733601.db2.gz JLPFTYKKDTUZNZ-UHFFFAOYSA-N 1 0 311.470 2.365 10 0 DEAERO C[C@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccc(F)c(Cl)c1 ZINC000112545930 401749003 /nfs/dbraw/zinc/74/90/03/401749003.db2.gz ACYBZPMFUBIFGF-VIFPVBQESA-N 1 0 313.760 2.072 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cn(C)nc1C(C)(C)C ZINC000127533723 401738644 /nfs/dbraw/zinc/73/86/44/401738644.db2.gz HGWSJZPWAURYCO-CYBMUJFWSA-N 1 0 306.454 2.274 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000127565348 401740575 /nfs/dbraw/zinc/74/05/75/401740575.db2.gz JHGJCWURZSQCDH-DJIMGWMZSA-N 1 0 303.450 2.230 10 0 DEAERO C[C@H](CNC(=O)NC1CCC(C)(C)CC1)C[NH+]1CCN(C)CC1 ZINC000074524368 401740960 /nfs/dbraw/zinc/74/09/60/401740960.db2.gz YFABXETZIRAVFA-OAHLLOKOSA-N 1 0 324.513 2.138 10 0 DEAERO COc1cc(F)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000126365494 401690985 /nfs/dbraw/zinc/69/09/85/401690985.db2.gz CFELVNJIQAGMMN-GFCCVEGCSA-N 1 0 322.380 2.153 10 0 DEAERO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000111221029 401701597 /nfs/dbraw/zinc/70/15/97/401701597.db2.gz NMQXGMSHGLOMAJ-RYUDHWBXSA-N 1 0 323.824 2.173 10 0 DEAERO CC(C)[C@@H](C)NC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000072075211 401703000 /nfs/dbraw/zinc/70/30/00/401703000.db2.gz UMNQQZPNTKAKTR-OAHLLOKOSA-N 1 0 318.465 2.432 10 0 DEAERO CCn1nccc1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000126795124 401708753 /nfs/dbraw/zinc/70/87/53/401708753.db2.gz WHZNXFRADOITGS-CQSZACIVSA-N 1 0 306.454 2.276 10 0 DEAERO COc1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000008037345 401747765 /nfs/dbraw/zinc/74/77/65/401747765.db2.gz CJWIWDOFQKGKMU-MRXNPFEDSA-N 1 0 321.398 2.178 10 0 DEAERO Cc1nc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)no1 ZINC000073595354 401719283 /nfs/dbraw/zinc/71/92/83/401719283.db2.gz IQAGDLLWIMDVMV-AWEZNQCLSA-N 1 0 323.441 2.078 10 0 DEAERO CC1(C)C[C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)c2ccccc2O1 ZINC000128968952 401797019 /nfs/dbraw/zinc/79/70/19/401797019.db2.gz XGUOTPBJEMTUNM-JSGCOSHPSA-N 1 0 309.431 2.456 10 0 DEAERO C[NH+](C)CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000013473136 401800002 /nfs/dbraw/zinc/80/00/02/401800002.db2.gz CZNDSRXWIOPAEE-UHFFFAOYSA-N 1 0 323.396 2.044 10 0 DEAERO O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000077161598 401805169 /nfs/dbraw/zinc/80/51/69/401805169.db2.gz YGFIXLMEYISQBU-BZSNNMDCSA-N 1 0 316.445 2.318 10 0 DEAERO CC(C)[C@@H](C)NC(=O)C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000077274577 401808475 /nfs/dbraw/zinc/80/84/75/401808475.db2.gz NRQOCGIGNOYTJW-MRXNPFEDSA-N 1 0 309.498 2.345 10 0 DEAERO c1cnn([C@H]2CCCC[C@H]2[NH2+]Cc2nnnn2-c2ccccc2)c1 ZINC000128003332 401758687 /nfs/dbraw/zinc/75/86/87/401758687.db2.gz RZFVYBDHMVTALA-CVEARBPZSA-N 1 0 323.404 2.132 10 0 DEAERO CCNC(=O)c1cccc2[nH]cc(C[NH+]3CCSCC3)c21 ZINC000075483584 401760353 /nfs/dbraw/zinc/76/03/53/401760353.db2.gz UPVYTCXYVDYOAY-UHFFFAOYSA-N 1 0 303.431 2.466 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2c(F)cccc2N2CCCC2)CCO1 ZINC000128049900 401760795 /nfs/dbraw/zinc/76/07/95/401760795.db2.gz SXNMZFXZLSRENQ-HNNXBMFYSA-N 1 0 321.440 2.188 10 0 DEAERO COc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc(OC)c1C ZINC000113226769 401770342 /nfs/dbraw/zinc/77/03/42/401770342.db2.gz ZXXLPMYFNMEIJJ-WFASDCNBSA-N 1 0 318.417 2.321 10 0 DEAERO CCC[C@H](C(=O)Nc1cccc(-c2ncn(C)n2)c1)[NH+](C)C ZINC000128292553 401770545 /nfs/dbraw/zinc/77/05/45/401770545.db2.gz UYDNMNGBGJKBSG-CQSZACIVSA-N 1 0 301.394 2.151 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc(Cl)cc1 ZINC000113226761 401770653 /nfs/dbraw/zinc/77/06/53/401770653.db2.gz OCFZSKLGRPSHEB-GXTWGEPZSA-N 1 0 308.809 2.414 10 0 DEAERO COc1ccc(CCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000113230447 401771559 /nfs/dbraw/zinc/77/15/59/401771559.db2.gz ZSAODORFGPBCOK-GDBMZVCRSA-N 1 0 302.418 2.323 10 0 DEAERO CC(C)[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CCOCC1 ZINC000077323689 401810198 /nfs/dbraw/zinc/81/01/98/401810198.db2.gz FXLNCGSRWBMUKN-IRXDYDNUSA-N 1 0 324.465 2.046 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)N1CCc2ccccc21 ZINC000113270903 401774669 /nfs/dbraw/zinc/77/46/69/401774669.db2.gz QZGMZEFZLZELPO-DOTOQJQBSA-N 1 0 313.445 2.134 10 0 DEAERO CN(C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000128537234 401782168 /nfs/dbraw/zinc/78/21/68/401782168.db2.gz RABJAPDQUDQPDV-QAPCUYQASA-N 1 0 302.418 2.276 10 0 DEAERO COc1ccccc1CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113581027 401782490 /nfs/dbraw/zinc/78/24/90/401782490.db2.gz VWJXFQXMLWDQID-GDBMZVCRSA-N 1 0 317.433 2.116 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)c1ccccc1 ZINC000113584898 401782977 /nfs/dbraw/zinc/78/29/77/401782977.db2.gz OXFQKSJXJPKWFY-NVXWUHKLSA-N 1 0 316.449 2.001 10 0 DEAERO CCC[C@@H]1CN(C(=O)CCCSC)CC[N@@H+]1CCOC ZINC000128648156 401786653 /nfs/dbraw/zinc/78/66/53/401786653.db2.gz VBLUSZGCAMRDEU-CQSZACIVSA-N 1 0 302.484 2.089 10 0 DEAERO CCOc1ncccc1C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000076489325 401796615 /nfs/dbraw/zinc/79/66/15/401796615.db2.gz ONHJZDQGSAMIIG-HIFRSBDPSA-N 1 0 305.422 2.283 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)Cc2cccc(O)c2)ccc1F ZINC000115716207 401835869 /nfs/dbraw/zinc/83/58/69/401835869.db2.gz OAMOJWUZKJUBDO-UHFFFAOYSA-N 1 0 316.376 2.452 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](CCC(=O)Nc3cccc(F)c3)C2)cn1 ZINC000116313469 401849585 /nfs/dbraw/zinc/84/95/85/401849585.db2.gz ZTQLEEIJSVVPLO-ZDUSSCGKSA-N 1 0 316.380 2.377 10 0 DEAERO CCOCCN1CC[N@H+](CCN(C)c2ccccc2)C[C@@H]1C ZINC000131459895 401851065 /nfs/dbraw/zinc/85/10/65/401851065.db2.gz HQZPOQLTQDMPCF-KRWDZBQOSA-N 1 0 305.466 2.165 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCCC1 ZINC000116412022 401851940 /nfs/dbraw/zinc/85/19/40/401851940.db2.gz WIBWLELKNNQNMU-ZBFHGGJFSA-N 1 0 302.422 2.097 10 0 DEAERO C[C@H]1CCc2sc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc2C1 ZINC000116788334 401859101 /nfs/dbraw/zinc/85/91/01/401859101.db2.gz JIWKOLUQXDXXSD-JSGCOSHPSA-N 1 0 322.474 2.276 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CCO1 ZINC000116797981 401859857 /nfs/dbraw/zinc/85/98/57/401859857.db2.gz AUBQIMAVGAKMMH-NSHDSACASA-N 1 0 317.216 2.396 10 0 DEAERO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000116887469 401863798 /nfs/dbraw/zinc/86/37/98/401863798.db2.gz VBOUNPRVPFEBDP-GFCCVEGCSA-N 1 0 310.444 2.025 10 0 DEAERO C[C@H](CC[NH2+]Cc1ccc(Br)cn1)[S@@](C)=O ZINC000132542598 401869294 /nfs/dbraw/zinc/86/92/94/401869294.db2.gz KPOTUHMHVDEVHJ-ABKXIKBNSA-N 1 0 305.241 2.091 10 0 DEAERO COCCC1(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCCC1 ZINC000119103304 401926069 /nfs/dbraw/zinc/92/60/69/401926069.db2.gz XIIRFZDDDKOLRW-INIZCTEOSA-N 1 0 323.481 2.463 10 0 DEAERO COc1cccc(CCC[N@@H+]2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000119140040 401928114 /nfs/dbraw/zinc/92/81/14/401928114.db2.gz HCWGASYMENBYFI-HZPDHXFCSA-N 1 0 306.450 2.015 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)C1C2CC3CC(C2)CC1C3 ZINC000041570829 401929232 /nfs/dbraw/zinc/92/92/32/401929232.db2.gz OHBIFECINNAULQ-UHFFFAOYSA-N 1 0 320.477 2.287 10 0 DEAERO CC[C@H]1CN(C(=O)Cc2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC000117300108 401873385 /nfs/dbraw/zinc/87/33/85/401873385.db2.gz LEPRCIUXCHDWKU-INIZCTEOSA-N 1 0 324.852 2.452 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2ccnn2C(C)C)CC[N@@H+]1CCOC ZINC000117399207 401876687 /nfs/dbraw/zinc/87/66/87/401876687.db2.gz CHIYLFIDCRDIKG-CQSZACIVSA-N 1 0 323.441 2.039 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000079921493 401883825 /nfs/dbraw/zinc/88/38/25/401883825.db2.gz DXBWMCKECKBBIS-GOSISDBHSA-N 1 0 317.433 2.366 10 0 DEAERO Cc1ccc(F)c(OCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000133407883 401884829 /nfs/dbraw/zinc/88/48/29/401884829.db2.gz IIWRKIKAEQXADF-KBPBESRZSA-N 1 0 306.381 2.208 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000080564223 401889961 /nfs/dbraw/zinc/88/99/61/401889961.db2.gz DUUARLIXEVFPBG-OAHLLOKOSA-N 1 0 321.469 2.213 10 0 DEAERO C[C@@H](O)CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000118999475 401918546 /nfs/dbraw/zinc/91/85/46/401918546.db2.gz ILGXWUHWHGXLCN-QWHCGFSZSA-N 1 0 312.841 2.438 10 0 DEAERO C[C@@H]1CCC[C@H](C)[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085822646 401918843 /nfs/dbraw/zinc/91/88/43/401918843.db2.gz ZRSLNUDCGSZGKF-ILXRZTDVSA-N 1 0 302.484 2.169 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]C2CCN(C(N)=O)CC2)C12CCCCC2 ZINC000119048503 401922077 /nfs/dbraw/zinc/92/20/77/401922077.db2.gz IJWOPRYZRAFITP-GJZGRUSLSA-N 1 0 309.454 2.247 10 0 DEAERO Cc1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)ccc1-n1cncn1 ZINC000119484099 401953545 /nfs/dbraw/zinc/95/35/45/401953545.db2.gz CUKZYTGLVUGOJE-INIZCTEOSA-N 1 0 323.404 2.004 10 0 DEAERO Cc1nc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)nc2ccccc12 ZINC000119552343 401958300 /nfs/dbraw/zinc/95/83/00/401958300.db2.gz CHNXUTBYMFXGQK-HNNXBMFYSA-N 1 0 322.416 2.442 10 0 DEAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000119582558 401960058 /nfs/dbraw/zinc/96/00/58/401960058.db2.gz SYEOECOUXNYZNN-RYUDHWBXSA-N 1 0 312.385 2.026 10 0 DEAERO CC[C@@H](CO)NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119583495 401960329 /nfs/dbraw/zinc/96/03/29/401960329.db2.gz VNTCDWUGFMSDQQ-FUHWJXTLSA-N 1 0 319.449 2.111 10 0 DEAERO CCN(CCc1nccs1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000119781835 401966333 /nfs/dbraw/zinc/96/63/33/401966333.db2.gz APDXGNINLKXCQQ-ZDUSSCGKSA-N 1 0 310.467 2.201 10 0 DEAERO NC(=O)C1CCC([NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000136400550 401967294 /nfs/dbraw/zinc/96/72/94/401967294.db2.gz YRXYMIUDZYNHND-UHFFFAOYSA-N 1 0 308.809 2.409 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCOCC1CC1 ZINC000120694634 401998092 /nfs/dbraw/zinc/99/80/92/401998092.db2.gz JDKPQBGMFZTDNF-MRXNPFEDSA-N 1 0 311.470 2.223 10 0 DEAERO CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)[NH+](CC)CC)cc1 ZINC000046278144 401968219 /nfs/dbraw/zinc/96/82/19/401968219.db2.gz GVMKUGMYMGJPMC-CYBMUJFWSA-N 1 0 320.437 2.288 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2CCCc3sccc32)CCO1 ZINC000136621875 401970179 /nfs/dbraw/zinc/97/01/79/401970179.db2.gz HBUFQKFJUOQOCD-GXTWGEPZSA-N 1 0 323.462 2.098 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](CCO)C1CCCCC1 ZINC000136814751 401974372 /nfs/dbraw/zinc/97/43/72/401974372.db2.gz NIDYMUNFRALEGT-GOEBONIOSA-N 1 0 313.486 2.347 10 0 DEAERO CC[C@]1(C)C[C@@H]1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000136948372 401976160 /nfs/dbraw/zinc/97/61/60/401976160.db2.gz ZNXXKNYRBNFGCR-LZLYRXPVSA-N 1 0 307.482 2.051 10 0 DEAERO CC(C)c1nc2c(n1C)CCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC000137249013 401981438 /nfs/dbraw/zinc/98/14/38/401981438.db2.gz YZXNEFDIWWPKLI-UHFFFAOYSA-N 1 0 318.465 2.160 10 0 DEAERO COc1cccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1F ZINC000090552979 401985069 /nfs/dbraw/zinc/98/50/69/401985069.db2.gz XQQYAOZBRSWNIR-ZDUSSCGKSA-N 1 0 324.396 2.017 10 0 DEAERO CCC[C@H](C(=O)NC[C@H]1CCN(C)c2ccccc21)[NH+](C)C ZINC000137717424 401985131 /nfs/dbraw/zinc/98/51/31/401985131.db2.gz FECJXLLRYQLVAX-RHSMWYFYSA-N 1 0 303.450 2.457 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccc2ccccc2c1 ZINC000120451413 401990374 /nfs/dbraw/zinc/99/03/74/401990374.db2.gz HHGFAFYHTNUMCN-LBPRGKRZSA-N 1 0 311.385 2.479 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccccc1)c1ccccc1 ZINC000047932799 401990881 /nfs/dbraw/zinc/99/08/81/401990881.db2.gz MCVCAZXRQWXQPM-MRXNPFEDSA-N 1 0 311.385 2.044 10 0 DEAERO Cc1ccc([C@@H](C)[N@H+](C)CCn2nc3ccccn3c2=O)cc1 ZINC000047965067 401991407 /nfs/dbraw/zinc/99/14/07/401991407.db2.gz KKSQFRRSUPRBOK-OAHLLOKOSA-N 1 0 310.401 2.497 10 0 DEAERO Cc1cccc(F)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120533497 401992796 /nfs/dbraw/zinc/99/27/96/401992796.db2.gz UAVIWJBQBKKOBK-CHWSQXEVSA-N 1 0 321.396 2.014 10 0 DEAERO Cc1cccc(C)c1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150776081 401995124 /nfs/dbraw/zinc/99/51/24/401995124.db2.gz ZJZSSEQDAHHQPL-LSDHHAIUSA-N 1 0 317.433 2.087 10 0 DEAERO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](CCCCCO)C1 ZINC000135452456 401939893 /nfs/dbraw/zinc/93/98/93/401939893.db2.gz SQPIHMMZOWTRHA-DLBZAZTESA-N 1 0 305.418 2.428 10 0 DEAERO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC)s1 ZINC000049044886 402011269 /nfs/dbraw/zinc/01/12/69/402011269.db2.gz RUUUCBNIIYUHMB-UHFFFAOYSA-N 1 0 316.492 2.463 10 0 DEAERO C[C@H]([NH2+]CCc1ccsc1)c1ccc(S(N)(=O)=O)cc1 ZINC000049153409 402013262 /nfs/dbraw/zinc/01/32/62/402013262.db2.gz GNCSUULHCHQKNK-NSHDSACASA-N 1 0 310.444 2.289 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(COC)ncn1 ZINC000093312196 402013707 /nfs/dbraw/zinc/01/37/07/402013707.db2.gz SMQRFBYPBWTMBZ-AWEZNQCLSA-N 1 0 321.425 2.009 10 0 DEAERO Cc1ccccc1[C@@H](C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000049172802 402013901 /nfs/dbraw/zinc/01/39/01/402013901.db2.gz DEKSCPILBCYQFF-CVEARBPZSA-N 1 0 319.449 2.202 10 0 DEAERO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151105551 402016532 /nfs/dbraw/zinc/01/65/32/402016532.db2.gz LKGNTYSBQUBZKA-HZPDHXFCSA-N 1 0 316.449 2.216 10 0 DEAERO [NH3+]CCCOC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000094073242 402022326 /nfs/dbraw/zinc/02/23/26/402022326.db2.gz JWVOMQNNUPCPPB-UHFFFAOYSA-N 1 0 303.328 2.435 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N(C)C)cc1F ZINC000151314247 402028905 /nfs/dbraw/zinc/02/89/05/402028905.db2.gz HMBMYJQFTILHQX-GXTWGEPZSA-N 1 0 305.397 2.200 10 0 DEAERO Cc1cnc(CCN(C)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)s1 ZINC000121352342 402030139 /nfs/dbraw/zinc/03/01/39/402030139.db2.gz ZREJXTLYHFTKNG-AAEUAGOBSA-N 1 0 322.478 2.261 10 0 DEAERO O=C(CC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)N1CCOCC1 ZINC000052035364 402039476 /nfs/dbraw/zinc/03/94/76/402039476.db2.gz VUAGQKZFYMEDFI-QGZVFWFLSA-N 1 0 320.408 2.082 10 0 DEAERO CCOc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000151519753 402041674 /nfs/dbraw/zinc/04/16/74/402041674.db2.gz HPOMNOLTPYFWGY-CQSZACIVSA-N 1 0 304.394 2.182 10 0 DEAERO CSc1ccc(O[C@@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000151601467 402045854 /nfs/dbraw/zinc/04/58/54/402045854.db2.gz CEZCGSIKLQPWIH-STQMWFEESA-N 1 0 308.447 2.338 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000151626956 402047295 /nfs/dbraw/zinc/04/72/95/402047295.db2.gz FYQVXACUEGYNFC-KGLIPLIRSA-N 1 0 318.417 2.367 10 0 DEAERO Cc1cccc2c1ncnc2N1CCC([N@H+](C)CCCO)CC1 ZINC000151642914 402047928 /nfs/dbraw/zinc/04/79/28/402047928.db2.gz NXEGPEODJFFQLG-UHFFFAOYSA-N 1 0 314.433 2.221 10 0 DEAERO COC[C@H](Cc1ccccc1)[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000150926517 402005421 /nfs/dbraw/zinc/00/54/21/402005421.db2.gz CMOCSTWSECZIMP-SFHVURJKSA-N 1 0 318.461 2.481 10 0 DEAERO C[NH2+][C@H]1CCCN(C(=O)CSc2ccc3c(c2)CCC3)C1 ZINC000150993701 402009440 /nfs/dbraw/zinc/00/94/40/402009440.db2.gz RKLOLBJNZYUPJD-HNNXBMFYSA-N 1 0 304.459 2.478 10 0 DEAERO COc1cccc(Cl)c1CC(=O)NCC[NH+]1CCCCC1 ZINC000152984474 402120171 /nfs/dbraw/zinc/12/01/71/402120171.db2.gz DMFBXJMUOQZEII-UHFFFAOYSA-N 1 0 310.825 2.493 10 0 DEAERO COc1cccc(OCC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000055377124 402080818 /nfs/dbraw/zinc/08/08/18/402080818.db2.gz GYJMJSLUHANJIB-CQSZACIVSA-N 1 0 306.406 2.065 10 0 DEAERO Cc1cc(C)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[nH]1 ZINC000122512135 402082248 /nfs/dbraw/zinc/08/22/48/402082248.db2.gz YQWSUUFGEJUVJV-CVEARBPZSA-N 1 0 319.449 2.129 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCc2ccc(F)cc2)C1 ZINC000056752799 402090336 /nfs/dbraw/zinc/09/03/36/402090336.db2.gz KAGUOOFOOUPXBH-MRXNPFEDSA-N 1 0 307.413 2.494 10 0 DEAERO Cc1ccc(C)c(OC[C@@H](O)CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061041166 402106834 /nfs/dbraw/zinc/10/68/34/402106834.db2.gz KKVJSAGKSMLZOG-SFHVURJKSA-N 1 0 318.461 2.213 10 0 DEAERO CC[C@@](C)(O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000123329811 402122233 /nfs/dbraw/zinc/12/22/33/402122233.db2.gz KHFPYHFLUPDBRG-MRXNPFEDSA-N 1 0 310.825 2.259 10 0 DEAERO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)CCCO2 ZINC000153162974 402130276 /nfs/dbraw/zinc/13/02/76/402130276.db2.gz IXBOFTRZGYCWJI-HNNXBMFYSA-N 1 0 318.417 2.080 10 0 DEAERO Cc1cc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c(C)s1 ZINC000097829559 402133239 /nfs/dbraw/zinc/13/32/39/402133239.db2.gz LTKDJNNANYXPQR-UHFFFAOYSA-N 1 0 322.455 2.447 10 0 DEAERO CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1OC ZINC000153211723 402133602 /nfs/dbraw/zinc/13/36/02/402133602.db2.gz XAZVDWFIQSWMGG-AWEZNQCLSA-N 1 0 306.406 2.018 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)NC[C@H](O)C(C)C)CC(C)C ZINC000153259589 402135807 /nfs/dbraw/zinc/13/58/07/402135807.db2.gz IPFGYBGZIBFVKN-GJZGRUSLSA-N 1 0 301.475 2.059 10 0 DEAERO Cc1nc(C)c(C[NH2+][C@H]2CCCN(c3cccnn3)C2)s1 ZINC000123665747 402140762 /nfs/dbraw/zinc/14/07/62/402140762.db2.gz ZKZZIPOYKQMMMF-ZDUSSCGKSA-N 1 0 303.435 2.309 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)cc(F)c1 ZINC000153431799 402144360 /nfs/dbraw/zinc/14/43/60/402144360.db2.gz DSVCFFAWBSCEQT-HNNXBMFYSA-N 1 0 321.396 2.015 10 0 DEAERO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000123887583 402152072 /nfs/dbraw/zinc/15/20/72/402152072.db2.gz 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306.454 2.288 10 0 DEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886866 402210725 /nfs/dbraw/zinc/21/07/25/402210725.db2.gz BWQNLMDSGNLBDS-CQSZACIVSA-N 1 0 306.454 2.288 10 0 DEAERO COc1cccc(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)c1 ZINC000105917032 402211432 /nfs/dbraw/zinc/21/14/32/402211432.db2.gz CVLSROIPJHKEJS-UHFFFAOYSA-N 1 0 316.405 2.095 10 0 DEAERO COC1(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CCCCC1 ZINC000185094126 402323589 /nfs/dbraw/zinc/32/35/89/402323589.db2.gz WWKQXLLXBODARF-OAHLLOKOSA-N 1 0 324.465 2.047 10 0 DEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(Br)o1 ZINC000071190455 402271388 /nfs/dbraw/zinc/27/13/88/402271388.db2.gz JUVRFTMZNWZTEH-VIFPVBQESA-N 1 0 301.184 2.066 10 0 DEAERO COCCC1(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)CCC1 ZINC000156513962 402283712 /nfs/dbraw/zinc/28/37/12/402283712.db2.gz JCBRUWHERZSWLX-HNNXBMFYSA-N 1 0 311.470 2.367 10 0 DEAERO COc1cccc([C@H]2CN(C(C)C)C(=O)[C@]23CCC[NH2+]C3)c1 ZINC000216088898 402286569 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Cc1ccc(OC[C@@H](O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c(C)c1 ZINC000177765728 402434035 /nfs/dbraw/zinc/43/40/35/402434035.db2.gz DSNCTBSWERTCTO-MSOLQXFVSA-N 1 0 318.461 2.213 10 0 DEAERO O=C1O[C@H](CN2CC[N@@H+]3CCCC[C@@H]3C2)CN1c1ccccc1 ZINC000177775391 402435231 /nfs/dbraw/zinc/43/52/31/402435231.db2.gz WIBMHZSSINHHDO-IAGOWNOFSA-N 1 0 315.417 2.182 10 0 DEAERO CCCC[C@H](C[NH3+])NC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000162934201 402436647 /nfs/dbraw/zinc/43/66/47/402436647.db2.gz RWBCACDEFPDOCR-CYBMUJFWSA-N 1 0 304.369 2.463 10 0 DEAERO Cc1c(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)oc2c1C(=O)CCC2 ZINC000186501661 402437046 /nfs/dbraw/zinc/43/70/46/402437046.db2.gz VKUGWMDTAOFZMV-LBPRGKRZSA-N 1 0 316.401 2.464 10 0 DEAERO O=C(CCCc1nc(C2CC2)no1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186549111 402441367 /nfs/dbraw/zinc/44/13/67/402441367.db2.gz AYPGOPZNAVNDHZ-CYBMUJFWSA-N 1 0 318.421 2.013 10 0 DEAERO CCONC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000163158887 402443168 /nfs/dbraw/zinc/44/31/68/402443168.db2.gz VZNPRDFGICEQQZ-MQVJKMGUSA-N 1 0 303.406 2.433 10 0 DEAERO NC(=O)N1CCC([NH2+]CCCCOc2ccc(F)cc2)CC1 ZINC000177931917 402445005 /nfs/dbraw/zinc/44/50/05/402445005.db2.gz RVDVNNHXIQMXRK-UHFFFAOYSA-N 1 0 309.385 2.117 10 0 DEAERO [NH3+]C1(C(=O)NCc2ccc(Cl)cc2)Cc2ccccc2C1 ZINC000163352793 402448065 /nfs/dbraw/zinc/44/80/65/402448065.db2.gz MCPGVLJJIRHYDS-UHFFFAOYSA-N 1 0 300.789 2.453 10 0 DEAERO CCC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000161540324 402390862 /nfs/dbraw/zinc/39/08/62/402390862.db2.gz QZPUQQBJZLHLGS-ROUUACIJSA-N 1 0 317.477 2.498 10 0 DEAERO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCc1ccccn1 ZINC000185953440 402392499 /nfs/dbraw/zinc/39/24/99/402392499.db2.gz NAKSZXMMPUJIJY-MRXNPFEDSA-N 1 0 317.820 2.354 10 0 DEAERO O=C1[C@@H](N2CC[N@@H+]3CCC[C@H]3C2)CCN1c1cccc(Cl)c1 ZINC000246114422 402511199 /nfs/dbraw/zinc/51/11/99/402511199.db2.gz CPWXJBAJDZLONJ-HOTGVXAUSA-N 1 0 319.836 2.225 10 0 DEAERO COC[C@@H](C)C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000187795618 402511293 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CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(OC)cc1 ZINC000245429483 402459854 /nfs/dbraw/zinc/45/98/54/402459854.db2.gz NDYQAOAWRZSEGA-CVEARBPZSA-N 1 0 317.433 2.192 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NCc1ccccc1F ZINC000245471605 402463876 /nfs/dbraw/zinc/46/38/76/402463876.db2.gz OCTOAVGJXSAKDF-GDBMZVCRSA-N 1 0 321.440 2.247 10 0 DEAERO CC(C)CCNC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245484665 402465424 /nfs/dbraw/zinc/46/54/24/402465424.db2.gz HWGSITXAECLNMO-BBWFWOEESA-N 1 0 309.498 2.484 10 0 DEAERO CC(C)([NH3+])C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000164763488 402468207 /nfs/dbraw/zinc/46/82/07/402468207.db2.gz FVEOLSURXIISRR-UHFFFAOYSA-N 1 0 303.337 2.367 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc(=O)[nH]1 ZINC000245560030 402470639 /nfs/dbraw/zinc/47/06/39/402470639.db2.gz IYWQTAGYMLRPBH-WBVHZDCISA-N 1 0 311.385 2.271 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)c1cn(C)nc1C ZINC000245592062 402473249 /nfs/dbraw/zinc/47/32/49/402473249.db2.gz BFBLTAOBRVYNQB-YUELXQCFSA-N 1 0 319.453 2.058 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NCc2ccncc2)[C@H]1c1ccccc1 ZINC000245630402 402475396 /nfs/dbraw/zinc/47/53/96/402475396.db2.gz HOWOPGGBRJKFEN-DLBZAZTESA-N 1 0 310.401 2.326 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NCc2cscn2)[C@H]1c1ccccc1 ZINC000245648755 402476835 /nfs/dbraw/zinc/47/68/35/402476835.db2.gz MFUGWOWUHVGXES-HUUCEWRRSA-N 1 0 316.430 2.388 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCc1ccccc1C(=O)OC ZINC000187109182 402483248 /nfs/dbraw/zinc/48/32/48/402483248.db2.gz PBHKNTVMXCOPHF-MRXNPFEDSA-N 1 0 304.434 2.432 10 0 DEAERO C[NH+](C)Cc1cccc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000178326353 402485305 /nfs/dbraw/zinc/48/53/05/402485305.db2.gz IUQAXRSPSKXKJU-ROUUACIJSA-N 1 0 310.397 2.136 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cccc(OC)c2OC)C[C@H]1C ZINC000245751146 402485413 /nfs/dbraw/zinc/48/54/13/402485413.db2.gz NTVPCIULOOWGGX-OAHLLOKOSA-N 1 0 322.449 2.246 10 0 DEAERO CCCn1nc(C)c(CN2CC[N@H+](CCOCC)[C@@H](C)C2)c1C ZINC000245754476 402485540 /nfs/dbraw/zinc/48/55/40/402485540.db2.gz OITBIFXMQIBJHZ-HNNXBMFYSA-N 1 0 322.497 2.453 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc2c1OCCO2 ZINC000245771278 402486844 /nfs/dbraw/zinc/48/68/44/402486844.db2.gz RUFLZGPBMMQVPR-LSDHHAIUSA-N 1 0 319.401 2.467 10 0 DEAERO CC(=O)c1cccc(O[C@@H](C)C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c1 ZINC000245866049 402492842 /nfs/dbraw/zinc/49/28/42/402492842.db2.gz FLMCHRIXMNRQGF-GUTXKFCHSA-N 1 0 318.417 2.208 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCC(C(=O)OC)CC2)[C@@H](C)C1 ZINC000245904650 402496149 /nfs/dbraw/zinc/49/61/49/402496149.db2.gz SVMWZFOAXQNDMQ-LBDPXKHJSA-N 1 0 324.465 2.155 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(O)c2)[C@H]1c1ccccc1 ZINC000245916369 402497062 /nfs/dbraw/zinc/49/70/62/402497062.db2.gz RXOWNMHDBKNGEV-IEBWSBKVSA-N 1 0 310.397 2.496 10 0 DEAERO CCNc1ncc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)s1 ZINC000245917858 402497577 /nfs/dbraw/zinc/49/75/77/402497577.db2.gz FTYRLEPBVJZVRY-RYUDHWBXSA-N 1 0 308.451 2.274 10 0 DEAERO CCNC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c(CC)c1 ZINC000169317287 402501657 /nfs/dbraw/zinc/50/16/57/402501657.db2.gz SMPUTFPRIJXBAZ-HNNXBMFYSA-N 1 0 323.437 2.128 10 0 DEAERO CC(C)[C@@H](O)CC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187456001 402501882 /nfs/dbraw/zinc/50/18/82/402501882.db2.gz YWQKCQGQRAXPOT-ROUUACIJSA-N 1 0 318.461 2.420 10 0 DEAERO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178507907 402505376 /nfs/dbraw/zinc/50/53/76/402505376.db2.gz MVRBONRBCUEMOH-OLZOCXBDSA-N 1 0 312.454 2.343 10 0 DEAERO COC[C@@H](C)CNc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000187587163 402505718 /nfs/dbraw/zinc/50/57/18/402505718.db2.gz ZHGMLYBBCDOEBD-HOCLYGCPSA-N 1 0 319.449 2.078 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC000187625763 402506818 /nfs/dbraw/zinc/50/68/18/402506818.db2.gz KBFYBBPQVLZSBD-GOEBONIOSA-N 1 0 311.470 2.175 10 0 DEAERO Cc1ccc(OCCC[N@@H+]2CCN(CCO)[C@H](C)C2)cc1C ZINC000187677873 402508020 /nfs/dbraw/zinc/50/80/20/402508020.db2.gz VPUVSCPUXIYFBG-QGZVFWFLSA-N 1 0 306.450 2.071 10 0 DEAERO C[C@@H]1C[N@H+](CCCSCc2ccccc2)CCN1CCO ZINC000187695242 402508569 /nfs/dbraw/zinc/50/85/69/402508569.db2.gz IOQCISHLFXFFRQ-MRXNPFEDSA-N 1 0 308.491 2.308 10 0 DEAERO COc1cccc(C[C@@H]([NH2+]Cc2cc(C(N)=O)co2)C2CC2)c1 ZINC000187713334 402509280 /nfs/dbraw/zinc/50/92/80/402509280.db2.gz DFJKVBVBEDUZCX-QGZVFWFLSA-N 1 0 314.385 2.498 10 0 DEAERO C[C@@H](O)CC[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000246726715 402542824 /nfs/dbraw/zinc/54/28/24/402542824.db2.gz MONFQVMHKPWQNC-GHMZBOCLSA-N 1 0 322.232 2.436 10 0 DEAERO CCc1ncc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000178818155 402543100 /nfs/dbraw/zinc/54/31/00/402543100.db2.gz QISTYMLYZJUDME-CQSZACIVSA-N 1 0 303.410 2.131 10 0 DEAERO CCc1nc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cs1 ZINC000246753083 402543239 /nfs/dbraw/zinc/54/32/39/402543239.db2.gz ZMQAXXMTCJKVHW-YPMHNXCESA-N 1 0 310.467 2.187 10 0 DEAERO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246857501 402547343 /nfs/dbraw/zinc/54/73/43/402547343.db2.gz CLIVUJSBYXLWHY-LSDHHAIUSA-N 1 0 324.465 2.297 10 0 DEAERO CC(=O)Nc1cccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000246876642 402548113 /nfs/dbraw/zinc/54/81/13/402548113.db2.gz CLHDNXFIMJZCBZ-LRDDRELGSA-N 1 0 316.405 2.345 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2cccc(F)c2)CC[N@@H+]1C[C@H](C)O ZINC000247695110 402574842 /nfs/dbraw/zinc/57/48/42/402574842.db2.gz WNRMOIWSZVLGPH-WFASDCNBSA-N 1 0 309.385 2.135 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@H](C)c2ccccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000246993665 402552548 /nfs/dbraw/zinc/55/25/48/402552548.db2.gz VHMLGJFDSZBGRQ-RBSFLKMASA-N 1 0 322.424 2.233 10 0 DEAERO Cc1csc(CCCCNC(=O)NC[C@@H]2CCC[N@H+]2C)n1 ZINC000171053066 402552912 /nfs/dbraw/zinc/55/29/12/402552912.db2.gz ITQMXVSVVUHRRN-ZDUSSCGKSA-N 1 0 310.467 2.168 10 0 DEAERO CC(=O)Nc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccc1F ZINC000247046324 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Cn1c2ccc(C[N@H+](C)C[C@@H]3CCCOC3)cc2sc1=O ZINC000195008799 402826210 /nfs/dbraw/zinc/82/62/10/402826210.db2.gz RXYLXLRYAMQONS-ZDUSSCGKSA-N 1 0 306.431 2.458 10 0 DEAERO CCOc1ccc(OCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000195093704 402831205 /nfs/dbraw/zinc/83/12/05/402831205.db2.gz SVXNECSBIYUMIT-OAHLLOKOSA-N 1 0 318.417 2.161 10 0 DEAERO Cc1cn(-c2ccccc2)nc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000184278350 402832433 /nfs/dbraw/zinc/83/24/33/402832433.db2.gz FHYRMRHAWBCGQT-UHFFFAOYSA-N 1 0 324.428 2.491 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000175787782 402832899 /nfs/dbraw/zinc/83/28/99/402832899.db2.gz PJLAWZLDQUJMTB-MCMMXHMISA-N 1 0 323.462 2.420 10 0 DEAERO Cc1csc([C@@H](C)CNC(=O)c2c[nH+]ccc2N(C)C)n1 ZINC000184442793 402844243 /nfs/dbraw/zinc/84/42/43/402844243.db2.gz VENIOIVIUUCFGC-JTQLQIEISA-N 1 0 304.419 2.446 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CC[C@H]1CCOC1 ZINC000175834701 402836921 /nfs/dbraw/zinc/83/69/21/402836921.db2.gz CCHKUCRVYZONLZ-DLBZAZTESA-N 1 0 304.434 2.092 10 0 DEAERO Cc1nc(C2CCCC2)sc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195232392 402838379 /nfs/dbraw/zinc/83/83/79/402838379.db2.gz AXPXXQSSDREHBX-BETUJISGSA-N 1 0 305.447 2.401 10 0 DEAERO C[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)[C@@H]1c1cccc(F)c1 ZINC000175149458 402783378 /nfs/dbraw/zinc/78/33/78/402783378.db2.gz RDQBVVBVLRPGML-LRDDRELGSA-N 1 0 319.380 2.151 10 0 DEAERO COc1ccc(SCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195318451 402841727 /nfs/dbraw/zinc/84/17/27/402841727.db2.gz FJXXRVNGEDVPOW-CYBMUJFWSA-N 1 0 306.431 2.094 10 0 DEAERO CCc1cccc(C)c1NC(=O)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000194147989 402785811 /nfs/dbraw/zinc/78/58/11/402785811.db2.gz AWHCDEPGCCBTQI-HNNXBMFYSA-N 1 0 317.433 2.096 10 0 DEAERO Cc1cc(C)n(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)n1 ZINC000195313398 402841779 /nfs/dbraw/zinc/84/17/79/402841779.db2.gz XYZCBWCTVPXARY-GOSISDBHSA-N 1 0 324.428 2.409 10 0 DEAERO C[NH+](C)C[C@H]1CN(CCc2c(F)cccc2Cl)CCO1 ZINC000175204759 402787525 /nfs/dbraw/zinc/78/75/25/402787525.db2.gz JJWVIPDUSABLHH-LBPRGKRZSA-N 1 0 300.805 2.284 10 0 DEAERO C[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)C1 ZINC000175981719 402845852 /nfs/dbraw/zinc/84/58/52/402845852.db2.gz JWWSWOHHAIITGT-KURKYZTESA-N 1 0 321.509 2.441 10 0 DEAERO CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000195501697 402847604 /nfs/dbraw/zinc/84/76/04/402847604.db2.gz VGYIGGGSKNKARW-CQSZACIVSA-N 1 0 306.454 2.339 10 0 DEAERO CC/C=C/CC[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000184512788 402848286 /nfs/dbraw/zinc/84/82/86/402848286.db2.gz SPQKAZZIIIRJBR-APHBUQMISA-N 1 0 307.482 2.408 10 0 DEAERO Cc1noc2ncnc(N3CCC(C[NH+]4CCCC4)CC3)c12 ZINC000195509335 402848380 /nfs/dbraw/zinc/84/83/80/402848380.db2.gz RDZIFWBNPJTYBL-UHFFFAOYSA-N 1 0 301.394 2.238 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2F)CCO1 ZINC000184515648 402848454 /nfs/dbraw/zinc/84/84/54/402848454.db2.gz CJQMNTFETZGBMV-VIFPVBQESA-N 1 0 318.751 2.021 10 0 DEAERO CCn1cc(C2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)cn1 ZINC000195513121 402848567 /nfs/dbraw/zinc/84/85/67/402848567.db2.gz PIAMLAYWKKLWQO-HNNXBMFYSA-N 1 0 318.465 2.483 10 0 DEAERO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)C2)no1 ZINC000195517706 402849634 /nfs/dbraw/zinc/84/96/34/402849634.db2.gz SWHXBKLJBAQDPM-HNNXBMFYSA-N 1 0 322.453 2.278 10 0 DEAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000275717103 403118108 /nfs/dbraw/zinc/11/81/08/403118108.db2.gz YUEFHEKEVLMAST-RRFJBIMHSA-N 1 0 316.449 2.126 10 0 DEAERO Cc1cc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C)c(C)o1 ZINC000283737264 403219498 /nfs/dbraw/zinc/21/94/98/403219498.db2.gz CXXILJKBGDHVMW-UHFFFAOYSA-N 1 0 303.410 2.222 10 0 DEAERO O=C(c1cscc1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000285288323 403280314 /nfs/dbraw/zinc/28/03/14/403280314.db2.gz GDWKYUNVCOQMDN-VIFPVBQESA-N 1 0 315.236 2.431 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000271266514 403283819 /nfs/dbraw/zinc/28/38/19/403283819.db2.gz NMMIMCIDCPRUIW-SIXLDLHFSA-N 1 0 317.433 2.299 10 0 DEAERO c1c(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)nc2ncccn12 ZINC000298530147 403406076 /nfs/dbraw/zinc/40/60/76/403406076.db2.gz SAHQOXCMLGMXBY-OAHLLOKOSA-N 1 0 307.401 2.488 10 0 DEAERO O[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000345754813 403470396 /nfs/dbraw/zinc/47/03/96/403470396.db2.gz AUSRXBFPPFEYTL-OKZBNKHCSA-N 1 0 317.429 2.026 10 0 DEAERO Cc1cc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)nc(C(C)C)n1 ZINC000301252123 403606128 /nfs/dbraw/zinc/60/61/28/403606128.db2.gz CKTQTKXQEFNZCZ-MRXNPFEDSA-N 1 0 317.481 2.125 10 0 DEAERO Cc1cc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)nc(C(C)C)n1 ZINC000301252121 403606579 /nfs/dbraw/zinc/60/65/79/403606579.db2.gz CKTQTKXQEFNZCZ-INIZCTEOSA-N 1 0 317.481 2.125 10 0 DEAERO Cc1ccc([C@H]2OCCC[C@H]2C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000262029190 292279320 /nfs/dbraw/zinc/27/93/20/292279320.db2.gz OFXPVGAYYXOCJK-GVDBMIGSSA-N 1 0 302.418 2.331 10 0 DEAERO CC(C)(C)c1nccc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000301543642 403645517 /nfs/dbraw/zinc/64/55/17/403645517.db2.gz DESKAAOMJBWRNV-CABCVRRESA-N 1 0 318.465 2.200 10 0 DEAERO Cc1c(NC(=O)N[C@H]2CCCC[NH2+]C2)n(C)nc1C(F)(F)F ZINC000333174813 403684983 /nfs/dbraw/zinc/68/49/83/403684983.db2.gz QQHDTPIAVJJYMD-VIFPVBQESA-N 1 0 319.331 2.011 10 0 DEAERO Cc1cn2cc(NC(=O)N3CCC4(CC[NH2+]C4)CC3)ccc2n1 ZINC000333191313 403690116 /nfs/dbraw/zinc/69/01/16/403690116.db2.gz VBRQSKVXPZHTLL-UHFFFAOYSA-N 1 0 313.405 2.250 10 0 DEAERO COc1ncc(C)cc1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333196500 403692270 /nfs/dbraw/zinc/69/22/70/403692270.db2.gz UGCNEAZOHFPBOI-AWEZNQCLSA-N 1 0 318.421 2.395 10 0 DEAERO CN(C)c1ccnc(NCc2ccc(C[NH+](C)C)c(F)c2)n1 ZINC000301897491 403697839 /nfs/dbraw/zinc/69/78/39/403697839.db2.gz VSSWTANGBGNPLN-UHFFFAOYSA-N 1 0 303.385 2.355 10 0 DEAERO C[C@@H](C1CC1)n1nccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333267750 403711919 /nfs/dbraw/zinc/71/19/19/403711919.db2.gz FSUOTZFBCIVTRP-YUTCNCBUSA-N 1 0 303.410 2.212 10 0 DEAERO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3csc(NC4CC4)n3)C2)C1 ZINC000294369580 403716128 /nfs/dbraw/zinc/71/61/28/403716128.db2.gz ZIAFBPDXXHCAMN-MRXNPFEDSA-N 1 0 320.462 2.275 10 0 DEAERO c1ncc(N2CCC3(CC[NH2+]3)CC2)nc1OCC1CCCC1 ZINC000333336847 403728103 /nfs/dbraw/zinc/72/81/03/403728103.db2.gz XEJLSIRQWKFNIN-UHFFFAOYSA-N 1 0 302.422 2.378 10 0 DEAERO CCO[C@@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C12CCC2 ZINC000333357410 403733517 /nfs/dbraw/zinc/73/35/17/403733517.db2.gz KOAVAGJBEHCMQC-HUUCEWRRSA-N 1 0 321.465 2.119 10 0 DEAERO COc1nccc2cc(NC(=O)N3CC[NH2+]C[C@H]3C)ccc21 ZINC000333409888 403745788 /nfs/dbraw/zinc/74/57/88/403745788.db2.gz ZSHBGFJZPPUARZ-LLVKDONJSA-N 1 0 300.362 2.069 10 0 DEAERO Cc1cnc([C@@H](C)NC(=O)N2CCC3(CC[NH2+]C3)CC2)s1 ZINC000333650023 403804172 /nfs/dbraw/zinc/80/41/72/403804172.db2.gz VOOMNNZYBBEQAG-GFCCVEGCSA-N 1 0 308.451 2.298 10 0 DEAERO CC(C)[C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000305108081 403835890 /nfs/dbraw/zinc/83/58/90/403835890.db2.gz BZTMNZUJQACBHF-IMJJTQAJSA-N 1 0 311.470 2.098 10 0 DEAERO CO[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C)nn3)C2)C12CCC2 ZINC000333808060 403867788 /nfs/dbraw/zinc/86/77/88/403867788.db2.gz HMTWJTZGYGSZEX-ARFHVFGLSA-N 1 0 316.449 2.301 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000333811413 403869436 /nfs/dbraw/zinc/86/94/36/403869436.db2.gz PQCJAAJUNNVYPV-HIFRSBDPSA-N 1 0 321.396 2.481 10 0 DEAERO C[C@H](NC(=O)N[C@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000333821240 403874645 /nfs/dbraw/zinc/87/46/45/403874645.db2.gz RETYRSFFKWDPJO-XKQJLSEDSA-N 1 0 301.434 2.231 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000305212496 403879966 /nfs/dbraw/zinc/87/99/66/403879966.db2.gz GLPNAVOSOWUSCO-DOTOQJQBSA-N 1 0 304.434 2.270 10 0 DEAERO CCOC(=O)CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000368969748 403921841 /nfs/dbraw/zinc/92/18/41/403921841.db2.gz QMJNUMZOQVNCAH-HNNXBMFYSA-N 1 0 310.438 2.054 10 0 DEAERO CC(C)(C)[C@H](O)C[NH2+]CCCn1cc(Br)cn1 ZINC000310079400 403966881 /nfs/dbraw/zinc/96/68/81/403966881.db2.gz IAQROFFUZJJSOI-LLVKDONJSA-N 1 0 304.232 2.032 10 0 DEAERO Cn1cnc(CC[NH2+]Cc2cccc(O)c2Br)c1 ZINC000315213344 404009065 /nfs/dbraw/zinc/00/90/65/404009065.db2.gz GLNXNBYSFFKGHD-UHFFFAOYSA-N 1 0 310.195 2.221 10 0 DEAERO O[C@@H](C[NH2+]CCn1cc(Br)cn1)CC1CCCC1 ZINC000310885768 403968349 /nfs/dbraw/zinc/96/83/49/403968349.db2.gz JFODNMNJOCMUNN-CYBMUJFWSA-N 1 0 316.243 2.176 10 0 DEAERO CC1(C)COC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000313154366 403977125 /nfs/dbraw/zinc/97/71/25/403977125.db2.gz WTYPGCFKLHMSPK-QZTJIDSGSA-N 1 0 318.461 2.292 10 0 DEAERO c1cc(-c2ccc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)o2)n[nH]1 ZINC000369485709 404112807 /nfs/dbraw/zinc/11/28/07/404112807.db2.gz RWQPBNVOUFJFOI-DZGCQCFKSA-N 1 0 305.403 2.376 10 0 DEAERO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000328936512 404177304 /nfs/dbraw/zinc/17/73/04/404177304.db2.gz FXSJGDZHJVWRGP-CWRNSKLLSA-N 1 0 315.421 2.448 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ncc(C2CC2)o1 ZINC000369662927 404183274 /nfs/dbraw/zinc/18/32/74/404183274.db2.gz JOOOUYHLFPSTDV-CYBMUJFWSA-N 1 0 305.422 2.237 10 0 DEAERO O=C1NCCC[C@@H]1[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000296653841 404314331 /nfs/dbraw/zinc/31/43/31/404314331.db2.gz ZCPBWJBWFFIJDN-IUCAKERBSA-N 1 0 315.236 2.366 10 0 DEAERO CC(=O)c1cccc(NC(=O)CN(C(C)C)[C@H]2CCOC2)c1 ZINC000291912612 404577007 /nfs/dbraw/zinc/57/70/07/404577007.db2.gz RXUHQIDDNXMJQG-INIZCTEOSA-N 1 0 304.390 2.327 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000373928778 404643180 /nfs/dbraw/zinc/64/31/80/404643180.db2.gz HSLDSSLYCCJSCI-SFHVURJKSA-N 1 0 311.433 2.328 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1CCC(=O)N1CCCc2ccccc21 ZINC000375701770 404730966 /nfs/dbraw/zinc/73/09/66/404730966.db2.gz DXFINBSKJYITGE-OAHLLOKOSA-N 1 0 302.418 2.467 10 0 DEAERO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000375788120 404746796 /nfs/dbraw/zinc/74/67/96/404746796.db2.gz HSFJOBRJXSMMKL-HNNXBMFYSA-N 1 0 309.373 2.197 10 0 DEAERO Cc1nc(C)n([C@H]2CCC[N@H+](CCOCC(F)(F)F)C2)n1 ZINC000375793679 404747184 /nfs/dbraw/zinc/74/71/84/404747184.db2.gz OMCBZQZXDMJKIZ-LBPRGKRZSA-N 1 0 306.332 2.111 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1CCC(F)(F)CC1 ZINC000353247975 404781650 /nfs/dbraw/zinc/78/16/50/404781650.db2.gz JMJCTPKUVLAZCX-MRVPVSSYSA-N 1 0 302.287 2.469 10 0 DEAERO CO[C@@H](C)[C@H](C)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376094252 404801436 /nfs/dbraw/zinc/80/14/36/404801436.db2.gz FUNAYOQMIFLLKA-ZOBUZTSGSA-N 1 0 319.449 2.231 10 0 DEAERO CO[C@@H](C)[C@H](C)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376094248 404801639 /nfs/dbraw/zinc/80/16/39/404801639.db2.gz FUNAYOQMIFLLKA-YQQAZPJKSA-N 1 0 319.449 2.231 10 0 DEAERO Cc1cc(CC[NH2+]C2CCN(Cc3ccncc3)CC2)on1 ZINC000376120376 404805119 /nfs/dbraw/zinc/80/51/19/404805119.db2.gz XZZQBRWORUXBFE-UHFFFAOYSA-N 1 0 300.406 2.175 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000415274465 404838773 /nfs/dbraw/zinc/83/87/73/404838773.db2.gz UAHSPZBLUULYQJ-UHFFFAOYSA-N 1 0 318.421 2.181 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000415258438 404835360 /nfs/dbraw/zinc/83/53/60/404835360.db2.gz CGWQXZSDWNBYGC-CQSZACIVSA-N 1 0 318.421 2.323 10 0 DEAERO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CCCCNC2=O)cc1 ZINC000360967228 404864232 /nfs/dbraw/zinc/86/42/32/404864232.db2.gz WCEVMXVLVYRLLY-HNNXBMFYSA-N 1 0 318.417 2.400 10 0 DEAERO CCOCCO[C@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435124930 404958196 /nfs/dbraw/zinc/95/81/96/404958196.db2.gz UAPYZODRYCHJEX-ZDUSSCGKSA-N 1 0 305.378 2.297 10 0 DEAERO c1ccc(OCC2CC2)c(C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000434793209 404936386 /nfs/dbraw/zinc/93/63/86/404936386.db2.gz KHPSLLWBDJFBPL-UHFFFAOYSA-N 1 0 316.445 2.430 10 0 DEAERO CC[C@H]([NH2+][C@@H](C)c1cncc(Br)c1)C(=O)NC ZINC000568276879 292329056 /nfs/dbraw/zinc/32/90/56/292329056.db2.gz QTCCKUSBTWVHFJ-KWQFWETISA-N 1 0 300.200 2.019 10 0 DEAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2nc(C)ccc2O)C1 ZINC000378349179 404937844 /nfs/dbraw/zinc/93/78/44/404937844.db2.gz NZXMIDHFFALUCR-ZDUSSCGKSA-N 1 0 301.394 2.087 10 0 DEAERO COc1ccc(C(=O)N2C[C@H]([NH3+])CC[C@@H]2C(F)(F)F)cc1F ZINC000379277848 405026381 /nfs/dbraw/zinc/02/63/81/405026381.db2.gz PLKXRBWTORYVMW-BXKDBHETSA-N 1 0 320.286 2.329 10 0 DEAERO C[C@H](CCNC[C@@H](O)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000379647581 405028225 /nfs/dbraw/zinc/02/82/25/405028225.db2.gz KQYNTJJDIKIYNK-TZMCWYRMSA-N 1 0 304.356 2.410 10 0 DEAERO C[C@@H](CCNC(=O)c1ncccc1N)[N@H+](C)Cc1ccccc1 ZINC000379674442 405030187 /nfs/dbraw/zinc/03/01/87/405030187.db2.gz UMRNSACJSYKLFF-AWEZNQCLSA-N 1 0 312.417 2.304 10 0 DEAERO O=C1C[C@H]([NH2+]Cc2cnn3ccccc23)CN1c1ccccc1F ZINC000361235900 404986990 /nfs/dbraw/zinc/98/69/90/404986990.db2.gz BBOYUDWBXMLCRL-AWEZNQCLSA-N 1 0 324.359 2.369 10 0 DEAERO COCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000361487896 405096119 /nfs/dbraw/zinc/09/61/19/405096119.db2.gz 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ZINC000448746104 405443362 /nfs/dbraw/zinc/44/33/62/405443362.db2.gz GWVNGXIOZXRCAU-NSHDSACASA-N 1 0 301.312 2.170 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)OCCc2ccccc2)C1 ZINC000448758859 405444877 /nfs/dbraw/zinc/44/48/77/405444877.db2.gz BLQVDAUZBXWRNG-WBVHZDCISA-N 1 0 304.434 2.092 10 0 DEAERO O[C@@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000556505999 405485568 /nfs/dbraw/zinc/48/55/68/405485568.db2.gz SORQBDZVIGSERC-MOPGFXCFSA-N 1 0 317.429 2.332 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)c2cc(F)cc(Br)c2)C[NH2+]1 ZINC000638652203 405596928 /nfs/dbraw/zinc/59/69/28/405596928.db2.gz IGZDCICLXUGGGC-PELKAZGASA-N 1 0 315.186 2.459 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)c2ccc(Br)s2)C[NH2+]1 ZINC000638659159 405599689 /nfs/dbraw/zinc/59/96/89/405599689.db2.gz ZAXPXRQENDADOY-HTQZYQBOSA-N 1 0 303.225 2.381 10 0 DEAERO c1cn(Cc2ccccc2)c(C[NH2+][C@H]2CCn3ccnc3C2)n1 ZINC000494423043 405694771 /nfs/dbraw/zinc/69/47/71/405694771.db2.gz DHNSAURXRRRFOX-INIZCTEOSA-N 1 0 307.401 2.233 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000638888156 405742206 /nfs/dbraw/zinc/74/22/06/405742206.db2.gz NCENBPLELTVDAQ-BDAKNGLRSA-N 1 0 315.186 2.255 10 0 DEAERO C[C@H]1CN(C(=O)Cc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000638891234 405743228 /nfs/dbraw/zinc/74/32/28/405743228.db2.gz TYKHYHLEYQIXEM-JQWIXIFHSA-N 1 0 311.223 2.045 10 0 DEAERO C[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)C[C@@H]1C[NH3+] ZINC000638889760 405743272 /nfs/dbraw/zinc/74/32/72/405743272.db2.gz QBOZKUPGHCHGFI-WPRPVWTQSA-N 1 0 315.186 2.255 10 0 DEAERO C[N@H+](CCCCNC(=O)C(=O)c1ccc2c(c1)CCC2)C1CC1 ZINC000457195204 405745999 /nfs/dbraw/zinc/74/59/99/405745999.db2.gz GQFSQDVJKUSIIX-UHFFFAOYSA-N 1 0 314.429 2.349 10 0 DEAERO Cc1cnc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)nc1C ZINC000583618147 405776726 /nfs/dbraw/zinc/77/67/26/405776726.db2.gz FYGSKWFSKREPPM-GOEBONIOSA-N 1 0 314.437 2.322 10 0 DEAERO CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2[NH2+]CC2CCOCC2)nn1 ZINC000583621467 405778692 /nfs/dbraw/zinc/77/86/92/405778692.db2.gz 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Cc1csc(NC(=O)CN2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000533271377 406133775 /nfs/dbraw/zinc/13/37/75/406133775.db2.gz HZWWLEBGHAERFY-UHFFFAOYSA-N 1 0 324.494 2.442 10 0 DEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cnc(-c2cccnc2)s1 ZINC000534207095 406171813 /nfs/dbraw/zinc/17/18/13/406171813.db2.gz GFVGCITWRVBRRI-LBPRGKRZSA-N 1 0 316.430 2.229 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC(C)(C)O2)c1 ZINC000519144254 406181834 /nfs/dbraw/zinc/18/18/34/406181834.db2.gz XPHNEFSEFVZTLQ-WBVHZDCISA-N 1 0 321.417 2.176 10 0 DEAERO Cc1cc(C)c([C@@H](C)[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c(C)c1 ZINC000568160815 406199784 /nfs/dbraw/zinc/19/97/84/406199784.db2.gz SOHSLSNPXMAYFD-KDOFPFPSSA-N 1 0 315.417 2.347 10 0 DEAERO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1c(Br)cnn1C ZINC000487307147 406222776 /nfs/dbraw/zinc/22/27/76/406222776.db2.gz IGMFMWFGIHMQGH-BXKDBHETSA-N 1 0 304.232 2.069 10 0 DEAERO c1ccc(C[N@@H+]2CC[C@H](N3CCO[C@]4(CCSC4)C3)C2)cc1 ZINC000569238720 406226566 /nfs/dbraw/zinc/22/65/66/406226566.db2.gz PUMWHBWYWBGTOE-ZWKOTPCHSA-N 1 0 318.486 2.469 10 0 DEAERO O=C(NCCCCOCc1ccccc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634748536 406262160 /nfs/dbraw/zinc/26/21/60/406262160.db2.gz GJGTYPOVMQAEFI-HKUYNNGSSA-N 1 0 316.445 2.489 10 0 DEAERO c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000536608428 406269726 /nfs/dbraw/zinc/26/97/26/406269726.db2.gz LERKJQWGKMLYCP-KRWDZBQOSA-N 1 0 320.400 2.437 10 0 DEAERO COc1ccc(CNC(=O)NCC[N@H+]2CC=C(C)CC2)c(C)c1 ZINC000546566652 406362555 /nfs/dbraw/zinc/36/25/55/406362555.db2.gz PCYDIUCAVFSZJH-UHFFFAOYSA-N 1 0 317.433 2.455 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000545858488 406328965 /nfs/dbraw/zinc/32/89/65/406328965.db2.gz UVLOYXFXXVMCEE-OAHLLOKOSA-N 1 0 319.453 2.476 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(N3CCCC3)nc2)C1 ZINC000521253577 406339988 /nfs/dbraw/zinc/33/99/88/406339988.db2.gz DBRJCVZPMGWSAN-CQSZACIVSA-N 1 0 317.437 2.145 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000545991828 406342035 /nfs/dbraw/zinc/34/20/35/406342035.db2.gz HYELWZDNAKFMIX-HNNXBMFYSA-N 1 0 301.390 2.236 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c1C ZINC000632882419 406305282 /nfs/dbraw/zinc/30/52/82/406305282.db2.gz YLRAKSVHJJRPDJ-UONOGXRCSA-N 1 0 303.406 2.048 10 0 DEAERO O=C(CCC1C[NH2+]C1)NCc1csc(Br)c1 ZINC000637934497 406484119 /nfs/dbraw/zinc/48/41/19/406484119.db2.gz IOTLHYSXFAJSHI-UHFFFAOYSA-N 1 0 303.225 2.126 10 0 DEAERO [NH3+][C@H]1CC=C(C(=O)NCc2cc(Br)cs2)C1 ZINC000637936911 406485598 /nfs/dbraw/zinc/48/55/98/406485598.db2.gz UJIZLZTXNZTEDI-VIFPVBQESA-N 1 0 301.209 2.174 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC2COC2)cc1 ZINC000547739717 406440996 /nfs/dbraw/zinc/44/09/96/406440996.db2.gz UKXHPGGMLLIDAQ-INIZCTEOSA-N 1 0 304.390 2.277 10 0 DEAERO CN(Cc1ccccc1)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637867329 406453654 /nfs/dbraw/zinc/45/36/54/406453654.db2.gz GXFZIOZWYIEMMF-SFHVURJKSA-N 1 0 311.429 2.104 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000524797246 406462231 /nfs/dbraw/zinc/46/22/31/406462231.db2.gz XYVSVGQDVOLDDZ-GASCZTMLSA-N 1 0 317.433 2.335 10 0 DEAERO C[C@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000637884895 406462705 /nfs/dbraw/zinc/46/27/05/406462705.db2.gz UWOKJIVDPYJOCU-CQFDHEJISA-N 1 0 303.189 2.287 10 0 DEAERO O=C(CCC1C[NH2+]C1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000638020784 406527748 /nfs/dbraw/zinc/52/77/48/406527748.db2.gz AMQZARASDZBSQL-QGZVFWFLSA-N 1 0 302.418 2.051 10 0 DEAERO c1nn(-c2ccccc2)c2ncnc(N3CC[NH+]4CCC3CC4)c12 ZINC000526045516 406538437 /nfs/dbraw/zinc/53/84/37/406538437.db2.gz SCZUYECJWKWZRW-UHFFFAOYSA-N 1 0 320.400 2.100 10 0 DEAERO c1cc2ncnc(N3CC[NH+](CCC[C@H]4CCO4)CC3)c2s1 ZINC000638065535 406551537 /nfs/dbraw/zinc/55/15/37/406551537.db2.gz AEZYWVYIDZPTPD-ZDUSSCGKSA-N 1 0 318.446 2.382 10 0 DEAERO CCc1nc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)no1 ZINC000548478876 406521338 /nfs/dbraw/zinc/52/13/38/406521338.db2.gz LWDZPZXWTBDKQN-AWEZNQCLSA-N 1 0 320.437 2.407 10 0 DEAERO C1CC[NH+]([C@@H]2CCN(c3nnc(C4CCOCC4)s3)C2)C1 ZINC000549489289 406586324 /nfs/dbraw/zinc/58/63/24/406586324.db2.gz VLDBRILIQFOIPJ-CYBMUJFWSA-N 1 0 308.451 2.107 10 0 DEAERO Cc1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)ccn1 ZINC000527631217 406696638 /nfs/dbraw/zinc/69/66/38/406696638.db2.gz KMEGBZYJHTYPDM-IBGZPJMESA-N 1 0 311.429 2.381 10 0 DEAERO c1cc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)sn1 ZINC000638387184 406740159 /nfs/dbraw/zinc/74/01/59/406740159.db2.gz UYLOVYWBHYMQHJ-UHFFFAOYSA-N 1 0 303.431 2.265 10 0 DEAERO CC(C)CC1(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638431281 406768402 /nfs/dbraw/zinc/76/84/02/406768402.db2.gz SNMFMTASWXPYOW-MRXNPFEDSA-N 1 0 303.450 2.141 10 0 DEAERO COC[C@@]1(C(=O)Nc2cccc(Br)c2)CCC[NH2+]1 ZINC000643614768 407016751 /nfs/dbraw/zinc/01/67/51/407016751.db2.gz KPMVCYBAYQSLPJ-CYBMUJFWSA-N 1 0 313.195 2.156 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000111716024 286924666 /nfs/dbraw/zinc/92/46/66/286924666.db2.gz GAWFKAJBTOEEJC-MNOVXSKESA-N 1 0 318.389 2.247 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000128917424 196003528 /nfs/dbraw/zinc/00/35/28/196003528.db2.gz RCLPPEYYVSGZPL-NSHDSACASA-N 1 0 314.227 2.095 10 0 DEAERO CC[NH2+]C1CCC(O[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000129302950 196037329 /nfs/dbraw/zinc/03/73/29/196037329.db2.gz SKKJAWYLWJTWQL-PFSRBDOWSA-N 1 0 303.468 2.280 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc2ncccc21 ZINC000129310426 196038587 /nfs/dbraw/zinc/03/85/87/196038587.db2.gz TZAKXCCJRHKDJS-CYBMUJFWSA-N 1 0 321.446 2.243 10 0 DEAERO CCCC(=O)N1CCC[C@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129421462 196046329 /nfs/dbraw/zinc/04/63/29/196046329.db2.gz BABURIBTYYOKBU-GPANFISMSA-N 1 0 323.481 2.014 10 0 DEAERO CC[NH2+]C[C@@H]1CCC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129561312 196057643 /nfs/dbraw/zinc/05/76/43/196057643.db2.gz WPUSGOGDRFPTAS-KKUMJFAQSA-N 1 0 302.484 2.074 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000129586689 196059597 /nfs/dbraw/zinc/05/95/97/196059597.db2.gz SYCMCQCGMJMKPL-SNVBAGLBSA-N 1 0 312.211 2.481 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)COc2ccc(F)cc2)CC1 ZINC000129655416 196064724 /nfs/dbraw/zinc/06/47/24/196064724.db2.gz JEGKETYTXWEJEF-UHFFFAOYSA-N 1 0 308.397 2.441 10 0 DEAERO C[C@H](CC[S@@](C)=O)N1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000129860140 196081041 /nfs/dbraw/zinc/08/10/41/196081041.db2.gz ZZRRDZOOFLJNFR-IIMJZQEZSA-N 1 0 300.512 2.388 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C(=O)NCC(F)(F)F ZINC000130503345 196085404 /nfs/dbraw/zinc/08/54/04/196085404.db2.gz QSBMEDHYRJRALH-ZWNOBZJWSA-N 1 0 300.324 2.201 10 0 DEAERO COc1ccc(C(N)=S)c(N(CC[NH+](C)C)CC(C)C)c1 ZINC000130601335 196093835 /nfs/dbraw/zinc/09/38/35/196093835.db2.gz TXBLYRDOFZYPBJ-UHFFFAOYSA-N 1 0 309.479 2.353 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)s1 ZINC000130968333 196127445 /nfs/dbraw/zinc/12/74/45/196127445.db2.gz SYABRWRAXCUCCY-ZDUSSCGKSA-N 1 0 304.481 2.352 10 0 DEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)c1ccc(Cl)cc1OC ZINC000130987425 196129996 /nfs/dbraw/zinc/12/99/96/196129996.db2.gz ZLUZVWKYSWWUCW-LBPRGKRZSA-N 1 0 305.827 2.434 10 0 DEAERO CC[NH2+][C@]1(CO)CCC[C@@H](Sc2nc(CC)ns2)C1 ZINC000131006020 196131732 /nfs/dbraw/zinc/13/17/32/196131732.db2.gz MQYBJUPDMAASRQ-ZWNOBZJWSA-N 1 0 301.481 2.476 10 0 DEAERO CCC[NH2+][C@@](C)(C[C@@H](C)Sc1nc(CC)ns1)C(N)=O ZINC000131053010 196135730 /nfs/dbraw/zinc/13/57/30/196135730.db2.gz AOPORSWYZAEMNH-RNCFNFMXSA-N 1 0 316.496 2.215 10 0 DEAERO C[C@@H](CNS(=O)(=O)c1ccccc1C[NH3+])c1ccccc1 ZINC000131161632 196145153 /nfs/dbraw/zinc/14/51/53/196145153.db2.gz NEXDZLHWJAGCRF-ZDUSSCGKSA-N 1 0 304.415 2.227 10 0 DEAERO Cc1c(N)cnc(N(C)[C@H]2CCCC[C@@H]2O)c1Br ZINC000131170145 196146429 /nfs/dbraw/zinc/14/64/29/196146429.db2.gz UJLKTYSITYFKBG-QWRGUYRKSA-N 1 0 314.227 2.474 10 0 DEAERO CSCC[C@@H](C)NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000131234465 196152648 /nfs/dbraw/zinc/15/26/48/196152648.db2.gz NDKKMWSMANDMEF-MNOVXSKESA-N 1 0 302.465 2.126 10 0 DEAERO CC[NH2+][C@H](CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000131265452 196155361 /nfs/dbraw/zinc/15/53/61/196155361.db2.gz CULTUUVQLVZFFE-GDBMZVCRSA-N 1 0 311.447 2.041 10 0 DEAERO O[C@H](C[C@@H]1COCC[NH2+]1)c1cc(Br)ccc1F ZINC000131404389 196165779 /nfs/dbraw/zinc/16/57/79/196165779.db2.gz LYCDOAMPDLBIBE-BXKDBHETSA-N 1 0 304.159 2.000 10 0 DEAERO CCC[NH2+]C[C@H]1COCCN1c1ncccc1Br ZINC000131442103 196169239 /nfs/dbraw/zinc/16/92/39/196169239.db2.gz LOGIRNZKIPJJKL-NSHDSACASA-N 1 0 314.227 2.049 10 0 DEAERO CC(C)n1ncc(Br)c1[C@@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000131535181 196177825 /nfs/dbraw/zinc/17/78/25/196177825.db2.gz LJSAFWPSBWJUDV-MFKMUULPSA-N 1 0 316.243 2.434 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)cc1Br ZINC000131545250 196178565 /nfs/dbraw/zinc/17/85/65/196178565.db2.gz CRUPUTOQVXHSAE-SECBINFHSA-N 1 0 321.602 2.405 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)NCC2(C[NH3+])CCCCC2)c1 ZINC000131561146 196180537 /nfs/dbraw/zinc/18/05/37/196180537.db2.gz ZUIQFTPTXKTHAK-UHFFFAOYSA-N 1 0 310.463 2.491 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2CCC([NH3+])CC2)c1 ZINC000131849934 196203581 /nfs/dbraw/zinc/20/35/81/196203581.db2.gz WYKNIVMJLMVUCO-QCTRAFQOSA-N 1 0 315.417 2.281 10 0 DEAERO CN(CC1(O)CCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000131897847 196207865 /nfs/dbraw/zinc/20/78/65/196207865.db2.gz QZIJIKQKQYVNIT-UHFFFAOYSA-N 1 0 311.470 2.053 10 0 DEAERO [NH3+]C1(C(=O)Nc2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000132066219 196223193 /nfs/dbraw/zinc/22/31/93/196223193.db2.gz XGQRQPAHHWPGIF-UHFFFAOYSA-N 1 0 304.268 2.032 10 0 DEAERO CC[NH2+]Cc1cc(Cl)cc(OC)c1O[C@H]1CCN(C)C1=O ZINC000132110847 196226374 /nfs/dbraw/zinc/22/63/74/196226374.db2.gz YCBYWYTYARFYGS-LBPRGKRZSA-N 1 0 312.797 2.068 10 0 DEAERO CC[C@@]1(C)CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000132116630 196227940 /nfs/dbraw/zinc/22/79/40/196227940.db2.gz BSQHZAXEGGGMIV-GJZGRUSLSA-N 1 0 302.484 2.170 10 0 DEAERO C[C@H]([NH3+])c1ccc(OCC(=O)NCC(F)(F)F)c(Cl)c1 ZINC000132128249 196228307 /nfs/dbraw/zinc/22/83/07/196228307.db2.gz QQIDZYLZIVGOMU-ZETCQYMHSA-N 1 0 310.703 2.417 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc2cccnc2c1N ZINC000132146427 196230406 /nfs/dbraw/zinc/23/04/06/196230406.db2.gz HQDLRNDMWHNQKE-SNVBAGLBSA-N 1 0 304.419 2.093 10 0 DEAERO CCN(C(=O)c1sc2cccnc2c1N)C1CC[NH2+]CC1 ZINC000132193264 196234039 /nfs/dbraw/zinc/23/40/39/196234039.db2.gz JMMLBNVWIOHXOX-UHFFFAOYSA-N 1 0 304.419 2.093 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000132266033 196239848 /nfs/dbraw/zinc/23/98/48/196239848.db2.gz UZUUXQQFGGGPMH-WDSKDSINSA-N 1 0 308.250 2.191 10 0 DEAERO C[NH2+][C@H](C)c1ccc(OCC(=O)NCCCOC)c(Cl)c1 ZINC000132302202 196243746 /nfs/dbraw/zinc/24/37/46/196243746.db2.gz GAVXCUMGPBEKBX-LLVKDONJSA-N 1 0 314.813 2.152 10 0 DEAERO CC[NH2+][C@H](c1ccnc(C)n1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000132430003 196255410 /nfs/dbraw/zinc/25/54/10/196255410.db2.gz WIBYFNWVUQFFHN-YDHLFZDLSA-N 1 0 311.451 2.039 10 0 DEAERO NC(=O)NCC[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000132441209 196256173 /nfs/dbraw/zinc/25/61/73/196256173.db2.gz QVKJCVHMYLTKLN-SNVBAGLBSA-N 1 0 304.177 2.075 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](COCc2ccc(F)c(Br)c2)O1 ZINC000132448403 196257329 /nfs/dbraw/zinc/25/73/29/196257329.db2.gz CHWNLSVEDMSCJH-GXSJLCMTSA-N 1 0 318.186 2.482 10 0 DEAERO C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)[C@@H]1CC[NH2+]C1 ZINC000132503819 196260443 /nfs/dbraw/zinc/26/04/43/196260443.db2.gz QGBLPAFTIHXJKK-NTSWFWBYSA-N 1 0 308.250 2.110 10 0 DEAERO Cc1ccc([C@H](C[NH3+])N[C@@H](C)CCO)c(Br)c1 ZINC000132684250 196276004 /nfs/dbraw/zinc/27/60/04/196276004.db2.gz QLAOUAJDTVLABQ-GWCFXTLKSA-N 1 0 301.228 2.118 10 0 DEAERO CC1CC[NH+](CCCCNC(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000132902915 196294550 /nfs/dbraw/zinc/29/45/50/196294550.db2.gz FCJIXZRVQLRLJW-OAHLLOKOSA-N 1 0 318.465 2.458 10 0 DEAERO COc1cc(C)cc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000133077788 196310173 /nfs/dbraw/zinc/31/01/73/196310173.db2.gz HYQCDHNLIWWHHT-INIZCTEOSA-N 1 0 317.433 2.383 10 0 DEAERO CCC[NH2+][C@@H](Cc1cc(C)ccc1OC)[C@H](C)S(C)(=O)=O ZINC000133156039 196316746 /nfs/dbraw/zinc/31/67/46/196316746.db2.gz XDPRCBMIBMWZLP-ZFWWWQNUSA-N 1 0 313.463 2.347 10 0 DEAERO COC(=O)c1sc(N2CC[NH+](C3CCCC3)CC2)nc1C ZINC000133228341 196322342 /nfs/dbraw/zinc/32/23/42/196322342.db2.gz JVAXDRDCKQWZID-UHFFFAOYSA-N 1 0 309.435 2.303 10 0 DEAERO C[C@H]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000133253023 196325098 /nfs/dbraw/zinc/32/50/98/196325098.db2.gz VQOKPIVYTRYUPO-SUMWQHHRSA-N 1 0 320.408 2.474 10 0 DEAERO CCc1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)oc1CC ZINC000133924653 196346392 /nfs/dbraw/zinc/34/63/92/196346392.db2.gz SJQLMEVCSBSDJO-HNNXBMFYSA-N 1 0 322.449 2.371 10 0 DEAERO CC(C)c1cc(C(=O)N2CCS[C@H](C)[C@@H]2C)cc(NN)[nH+]1 ZINC000133934762 196346644 /nfs/dbraw/zinc/34/66/44/196346644.db2.gz PZGAQPMTMURAJV-WDEREUQCSA-N 1 0 308.451 2.457 10 0 DEAERO CC[NH2+][C@H](c1c(Cl)cnn1CCOC)[C@@H]1CCCCO1 ZINC000134014307 196353249 /nfs/dbraw/zinc/35/32/49/196353249.db2.gz RTGDNZJBXPWBDJ-STQMWFEESA-N 1 0 301.818 2.403 10 0 DEAERO Cc1cc(C)cc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)c1 ZINC000134008385 196353350 /nfs/dbraw/zinc/35/33/50/196353350.db2.gz CRXGXHNQZUDIOM-HOCLYGCPSA-N 1 0 310.463 2.489 10 0 DEAERO C[NH2+][C@H](CSCCS(C)(=O)=O)c1cc(C)cc(C)c1 ZINC000134081525 196359867 /nfs/dbraw/zinc/35/98/67/196359867.db2.gz ZJKRBLXHVUTOFG-CQSZACIVSA-N 1 0 301.477 2.342 10 0 DEAERO C[NH+](C)CCn1ncc(Cl)c1C(=O)C(C)(C)N1CCCC1 ZINC000134087625 196360408 /nfs/dbraw/zinc/36/04/08/196360408.db2.gz FFVWHUXQCCKJPI-UHFFFAOYSA-N 1 0 312.845 2.155 10 0 DEAERO C[C@@H](C(=O)Nc1cc(Br)ccc1N(C)C)[C@H](C)[NH3+] ZINC000134097320 196360766 /nfs/dbraw/zinc/36/07/66/196360766.db2.gz AOCUUPSSJDPQHN-BDAKNGLRSA-N 1 0 314.227 2.437 10 0 DEAERO CCn1c(=O)[nH]nc1SC[C@H]([NH2+]C)c1cc(C)cc(C)c1 ZINC000134129421 196364708 /nfs/dbraw/zinc/36/47/08/196364708.db2.gz ZQQIXRQRIPUTIV-ZDUSSCGKSA-N 1 0 306.435 2.261 10 0 DEAERO CC[S@](=O)CCN1CC2(CCCCC2)[NH2+]C[C@@H]1C(C)C ZINC000134237295 196372456 /nfs/dbraw/zinc/37/24/56/196372456.db2.gz VOVOVQVHDMVUSA-FOIQADDNSA-N 1 0 300.512 2.388 10 0 DEAERO C[C@H]1C[N@H+](C)CC[C@@H]1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000134354542 196381182 /nfs/dbraw/zinc/38/11/82/196381182.db2.gz DBEMMUHGPYYMKO-KWQFWETISA-N 1 0 302.205 2.458 10 0 DEAERO C[N@@H+]1CCC[C@@]2(CC(=O)NC(=O)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000134372630 196383038 /nfs/dbraw/zinc/38/30/38/196383038.db2.gz XFHDVBNPKNLJOK-GOEBONIOSA-N 1 0 306.793 2.182 10 0 DEAERO C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H](CO)C(C)(C)C ZINC000134405001 196387193 /nfs/dbraw/zinc/38/71/93/196387193.db2.gz CINRYTRBNNFSRD-NWDGAFQWSA-N 1 0 324.387 2.126 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@](C)(C[NH3+])c2ccccc2)cc1 ZINC000134473847 196394477 /nfs/dbraw/zinc/39/44/77/196394477.db2.gz VIYNUANQSPCAHR-MRXNPFEDSA-N 1 0 304.415 2.147 10 0 DEAERO [NH3+][C@@H]1CSC[C@@H]1c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000134818346 196422198 /nfs/dbraw/zinc/42/21/98/196422198.db2.gz JWSWWABHRXUJEC-IMTBSYHQSA-N 1 0 301.293 2.312 10 0 DEAERO COc1cc(Br)ccc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000135304394 196461302 /nfs/dbraw/zinc/46/13/02/196461302.db2.gz SQOCPXWSSOHOAE-SNVBAGLBSA-N 1 0 313.195 2.021 10 0 DEAERO CC[C@@H]1CC[C@@H](C)N1S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000136284261 196530550 /nfs/dbraw/zinc/53/05/50/196530550.db2.gz BZSADZBYVUKJBP-GHMZBOCLSA-N 1 0 302.465 2.201 10 0 DEAERO CC[C@@H]1CC[C@@H](C)N1S(=O)(=O)c1ccc(C[NH2+]C2CC2)o1 ZINC000136721302 196550138 /nfs/dbraw/zinc/55/01/38/196550138.db2.gz LFEPKVKSJFYUCE-DGCLKSJQSA-N 1 0 312.435 2.483 10 0 DEAERO CCS(=O)(=O)c1ccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)cc1 ZINC000136830822 196554587 /nfs/dbraw/zinc/55/45/87/196554587.db2.gz NAYMBTXTEZMKJH-ZDUSSCGKSA-N 1 0 312.435 2.182 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(F)F)c(F)c1 ZINC000137057002 196562724 /nfs/dbraw/zinc/56/27/24/196562724.db2.gz VWPKZMVJXYMYHD-UHFFFAOYSA-N 1 0 324.368 2.211 10 0 DEAERO COC[C@H]([NH2+]Cc1cccc(OC)c1OC)C1CCOCC1 ZINC000187799087 225000397 /nfs/dbraw/zinc/00/03/97/225000397.db2.gz UDAXLXLNCIAFQP-HNNXBMFYSA-N 1 0 309.406 2.235 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000193989705 225171595 /nfs/dbraw/zinc/17/15/95/225171595.db2.gz FLCWRSQHHRGETE-CRAIPNDOSA-N 1 0 316.445 2.224 10 0 DEAERO CN(C(=O)c1conc1-c1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000299738393 229369657 /nfs/dbraw/zinc/36/96/57/229369657.db2.gz ADCWHZJYJVOIGV-LBPRGKRZSA-N 1 0 305.765 2.429 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)c1 ZINC000105881631 424849533 /nfs/dbraw/zinc/84/95/33/424849533.db2.gz ACFMPDXJSKPQBD-CYBMUJFWSA-N 1 0 304.369 2.256 10 0 DEAERO CCCN(CCC)C(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886397 424849547 /nfs/dbraw/zinc/84/95/47/424849547.db2.gz RESYYUGQNQYHOR-UHFFFAOYSA-N 1 0 306.454 2.244 10 0 DEAERO Fc1ccc(OCC[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105882789 424849648 /nfs/dbraw/zinc/84/96/48/424849648.db2.gz IPIHLHPCUJHKJH-AWEZNQCLSA-N 1 0 304.369 2.208 10 0 DEAERO Fc1ccccc1OCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105882899 424849712 /nfs/dbraw/zinc/84/97/12/424849712.db2.gz VUEDXJOHMMXTMP-AWEZNQCLSA-N 1 0 304.369 2.208 10 0 DEAERO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)C(C)(C)C ZINC000114473587 424852199 /nfs/dbraw/zinc/85/21/99/424852199.db2.gz VJSFVJPMRBOLAQ-ZBFHGGJFSA-N 1 0 304.434 2.327 10 0 DEAERO CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000193803999 424871380 /nfs/dbraw/zinc/87/13/80/424871380.db2.gz UZGUUBPRQPWDJZ-INIZCTEOSA-N 1 0 317.477 2.450 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)NCc1nccs1)c1ccccc1 ZINC000194363816 424876288 /nfs/dbraw/zinc/87/62/88/424876288.db2.gz KZFWQQHNPVKLLM-CYBMUJFWSA-N 1 0 304.419 2.245 10 0 DEAERO Cn1cc(NC(=O)NCCC[N@H+](C)C2CCCCC2)ccc1=O ZINC000194766096 424878921 /nfs/dbraw/zinc/87/89/21/424878921.db2.gz RWKLTRFCMYXJOI-UHFFFAOYSA-N 1 0 320.437 2.161 10 0 DEAERO Cc1cc(C(=O)N(C)C2CC[NH+](C)CC2)nn1-c1ccccc1 ZINC000192656875 424864626 /nfs/dbraw/zinc/86/46/26/424864626.db2.gz LCWRYJWFUVWCMW-UHFFFAOYSA-N 1 0 312.417 2.347 10 0 DEAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCN(CC)CC2)cc1 ZINC000192662011 424864806 /nfs/dbraw/zinc/86/48/06/424864806.db2.gz DHFOZTCVDDHQHJ-HZPDHXFCSA-N 1 0 317.477 2.452 10 0 DEAERO CC[C@](C)([NH3+])c1cn(Cc2ccc(Br)cn2)nn1 ZINC000384166078 424910170 /nfs/dbraw/zinc/91/01/70/424910170.db2.gz LIVPFYHKNRRVNK-LBPRGKRZSA-N 1 0 310.199 2.068 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000384066681 424910375 /nfs/dbraw/zinc/91/03/75/424910375.db2.gz IMXQTMGBEDYKOZ-IAGOWNOFSA-N 1 0 304.434 2.425 10 0 DEAERO COc1ccc(Br)cc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000384960813 424911299 /nfs/dbraw/zinc/91/12/99/424911299.db2.gz IHGMMVOQUSTWKV-KCJUWKMLSA-N 1 0 313.195 2.019 10 0 DEAERO C[C@@H](CNC(=O)C1CCC([NH3+])CC1)COCc1ccccc1 ZINC000390165242 424916476 /nfs/dbraw/zinc/91/64/76/424916476.db2.gz DRCLKHMCUSLALF-OOHWJJMZSA-N 1 0 304.434 2.473 10 0 DEAERO Cc1cc(NC(=O)N[C@@H]2CCCC[NH2+]C2)nn1C1CCCCC1 ZINC000333375449 424921354 /nfs/dbraw/zinc/92/13/54/424921354.db2.gz VPZCLWNBPHGEJP-CQSZACIVSA-N 1 0 319.453 2.960 10 0 DEAERO CC(C)(O)CCN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404214982 424926105 /nfs/dbraw/zinc/92/61/05/424926105.db2.gz SRQFPUVPQLIDGJ-ROUUACIJSA-N 1 0 318.461 2.123 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2nscc2Br)C1 ZINC000404758181 424929225 /nfs/dbraw/zinc/92/92/25/424929225.db2.gz AXGWBVNZHCCPGK-JGVFFNPUSA-N 1 0 318.240 2.105 10 0 DEAERO CC(C)(CCC[NH3+])NC(=O)c1nscc1Br ZINC000404825282 424929503 /nfs/dbraw/zinc/92/95/03/424929503.db2.gz VBWPWQBLJPYYJZ-UHFFFAOYSA-N 1 0 306.229 2.153 10 0 DEAERO CCO[C@@H]1CN(Cc2sccc2Br)C[C@H]1C[NH3+] ZINC000405415019 424931672 /nfs/dbraw/zinc/93/16/72/424931672.db2.gz BJZLMXZLVOZQTQ-MWLCHTKSSA-N 1 0 319.268 2.306 10 0 DEAERO CCO[C@@H]1CN(C(=O)c2cc(Cl)sc2Cl)C[C@H]1C[NH3+] ZINC000405777638 424931872 /nfs/dbraw/zinc/93/18/72/424931872.db2.gz LNJVWBPNBOLUCR-VXNVDRBHSA-N 1 0 323.245 2.491 10 0 DEAERO [NH3+]Cc1cc(-c2ccc(I)cc2)ncn1 ZINC000409436537 424935108 /nfs/dbraw/zinc/93/51/08/424935108.db2.gz FZHBNYIAOOYYHJ-UHFFFAOYSA-N 1 0 311.126 2.207 10 0 DEAERO CCCNC(=O)N1CCCCC[C@H]1C[NH+]1CCC(OC)CC1 ZINC000257194663 424888993 /nfs/dbraw/zinc/88/89/93/424888993.db2.gz UMKSCUUNVNZYQB-HNNXBMFYSA-N 1 0 311.470 2.461 10 0 DEAERO CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1cccc(Br)c1 ZINC000310733489 424894918 /nfs/dbraw/zinc/89/49/18/424894918.db2.gz FOMWXYLMADTYLK-FZMZJTMJSA-N 1 0 315.255 2.412 10 0 DEAERO C[C@H]1COC[C@H](C)[NH+]1CCC(=O)N1CCc2sccc2C1 ZINC000077369934 267375769 /nfs/dbraw/zinc/37/57/69/267375769.db2.gz BHIOMOIQRYUMEU-STQMWFEESA-N 1 0 308.447 2.132 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3ccco3)no2)[C@H](C)C1 ZINC000081096694 267378978 /nfs/dbraw/zinc/37/89/78/267378978.db2.gz LJTULEBFSJSJII-OLZOCXBDSA-N 1 0 304.394 2.492 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2cc(F)ccc2Br)CC1=O ZINC000657695952 425387686 /nfs/dbraw/zinc/38/76/86/425387686.db2.gz QWJQIILFORSJSA-SECBINFHSA-N 1 0 315.186 2.156 10 0 DEAERO Cc1cnc([C@@H](C)NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)s1 ZINC000653123394 425410241 /nfs/dbraw/zinc/41/02/41/425410241.db2.gz XIEVCETUUKUUAU-IWSPIJDZSA-N 1 0 307.341 2.027 10 0 DEAERO O=C(N[C@@H]1COc2ccccc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171668976 267461817 /nfs/dbraw/zinc/46/18/17/267461817.db2.gz MRKGMPYHHZJNTK-GOEBONIOSA-N 1 0 315.417 2.390 10 0 DEAERO CCCC[C@H](COC)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175083139 267512900 /nfs/dbraw/zinc/51/29/00/267512900.db2.gz YGRHPTBRVLXBLD-PMPSAXMXSA-N 1 0 311.470 2.460 10 0 DEAERO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@H]1CCCOC1 ZINC000183563449 267627557 /nfs/dbraw/zinc/62/75/57/267627557.db2.gz LTIOEUVJPIHBSC-WMZOPIPTSA-N 1 0 304.434 2.137 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc3[nH]c(C)nc32)[C@@H](C)C1 ZINC000333322911 268926090 /nfs/dbraw/zinc/92/60/90/268926090.db2.gz XFNHLZWZRCYQOY-FZMZJTMJSA-N 1 0 315.421 2.069 10 0 DEAERO CC(C)c1nc([C@H](C)[NH2+][C@H]2CCc3nnnn3CC2)cs1 ZINC000333714877 268981720 /nfs/dbraw/zinc/98/17/20/268981720.db2.gz IWEWIGNBJLPQJU-QWRGUYRKSA-N 1 0 306.439 2.309 10 0 DEAERO CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333767143 268989996 /nfs/dbraw/zinc/98/99/96/268989996.db2.gz BLZCSCNKUQGXAI-LSDHHAIUSA-N 1 0 309.454 2.118 10 0 DEAERO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000333894221 269001559 /nfs/dbraw/zinc/00/15/59/269001559.db2.gz HOJHJUWZTUZGAP-ARFHVFGLSA-N 1 0 309.417 2.329 10 0 DEAERO NC(=O)[C@@H]1CC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000334069220 269014831 /nfs/dbraw/zinc/01/48/31/269014831.db2.gz FWQBYOYBDOLMGC-ILXRZTDVSA-N 1 0 322.453 2.350 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000358031666 269040793 /nfs/dbraw/zinc/04/07/93/269040793.db2.gz YUARFLIERQFMHM-RISCZKNCSA-N 1 0 313.239 2.368 10 0 DEAERO Cc1ccc(CC[NH2+]Cc2c(Br)cnn2C)cn1 ZINC000518040773 269395749 /nfs/dbraw/zinc/39/57/49/269395749.db2.gz XUAHDGKSOJGAIV-UHFFFAOYSA-N 1 0 309.211 2.218 10 0 DEAERO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC000526086305 269502978 /nfs/dbraw/zinc/50/29/78/269502978.db2.gz BXRYDBOGQOOJGU-XQQFMLRXSA-N 1 0 313.360 2.110 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N(C)CC1(CO)CC1)c1ccco1 ZINC000187047592 273642156 /nfs/dbraw/zinc/64/21/56/273642156.db2.gz MHNZOEMEHIZJNW-CQSZACIVSA-N 1 0 323.437 2.076 10 0 DEAERO C[C@H]1CN(C(=O)c2ccc(Br)o2)C[C@@H]1[NH+](C)C ZINC000089710263 274576085 /nfs/dbraw/zinc/57/60/85/274576085.db2.gz LXVNVILDNIJZCV-IUCAKERBSA-N 1 0 301.184 2.064 10 0 DEAERO O=C(c1cc(-c2cccnc2)on1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604405 275010704 /nfs/dbraw/zinc/01/07/04/275010704.db2.gz FBFWLWRBFHNSID-UHFFFAOYSA-N 1 0 312.373 2.047 10 0 DEAERO O=c1[nH]c2ccccc2n1C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000028234714 275042888 /nfs/dbraw/zinc/04/28/88/275042888.db2.gz QJCCAWADLGRXFF-DLBZAZTESA-N 1 0 315.417 2.270 10 0 DEAERO O[C@H]1c2ccccc2C[C@@H]1[NH+]1CCC(Nc2cccnn2)CC1 ZINC000182753379 275059507 /nfs/dbraw/zinc/05/95/07/275059507.db2.gz TVGVXLCCLRANMQ-WMZOPIPTSA-N 1 0 310.401 2.011 10 0 DEAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@@H]1COCCO1 ZINC000358913793 275063418 /nfs/dbraw/zinc/06/34/18/275063418.db2.gz JBXNIEKHUZYZIN-NVXWUHKLSA-N 1 0 313.401 2.255 10 0 DEAERO c1cc(N2CCCC2)ncc1N[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261887951 275064448 /nfs/dbraw/zinc/06/44/48/275064448.db2.gz GAZIXYUDMGELFW-ZACQAIPSSA-N 1 0 316.449 2.251 10 0 DEAERO c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)C2)cc1 ZINC000262013183 275067797 /nfs/dbraw/zinc/06/77/97/275067797.db2.gz VSWIUBGRCJMOJT-JCHJZTRSSA-N 1 0 315.461 2.012 10 0 DEAERO c1ccc2c(c1)OCC[C@H]2C[NH+]1CCN(c2cccnn2)CC1 ZINC000372409479 275070616 /nfs/dbraw/zinc/07/06/16/275070616.db2.gz GEGLEOZLIVGBOO-HNNXBMFYSA-N 1 0 310.401 2.165 10 0 DEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCC3)CC2 ZINC000194144992 275777142 /nfs/dbraw/zinc/77/71/42/275777142.db2.gz MWQCDLLUUHTOAQ-RRCSTGOVSA-N 1 0 316.449 2.264 10 0 DEAERO CCC[C@@H](C(=O)N(C)Cc1cn(C)nc1C(F)(F)F)[NH+](C)C ZINC000164740990 276020441 /nfs/dbraw/zinc/02/04/41/276020441.db2.gz ZWBLFVMWXCKSFF-NSHDSACASA-N 1 0 320.359 2.128 10 0 DEAERO CCC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000121022639 276047523 /nfs/dbraw/zinc/04/75/23/276047523.db2.gz GPTKYMZXKCJXCU-LSDHHAIUSA-N 1 0 304.438 2.346 10 0 DEAERO CC(C)c1nnc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1C ZINC000246471938 276074283 /nfs/dbraw/zinc/07/42/83/276074283.db2.gz FZAJQYZKQOJHEN-GOEBONIOSA-N 1 0 317.481 2.387 10 0 DEAERO CCC[C@H](C(=O)N1CCC(Oc2ccc(C)cn2)CC1)[NH+](C)C ZINC000181563219 276281631 /nfs/dbraw/zinc/28/16/31/276281631.db2.gz LMBUXLXUSQRNPG-MRXNPFEDSA-N 1 0 319.449 2.490 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N1CCc2sccc2C1 ZINC000175362102 276370546 /nfs/dbraw/zinc/37/05/46/276370546.db2.gz ZTDQMHMRGQYSHK-OAHLLOKOSA-N 1 0 321.490 2.049 10 0 DEAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000361511630 277085477 /nfs/dbraw/zinc/08/54/77/277085477.db2.gz UGVNJVZFZLXCJO-LSDHHAIUSA-N 1 0 322.449 2.053 10 0 DEAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)CC3CCCC3)C2)CC1 ZINC000173295088 277111452 /nfs/dbraw/zinc/11/14/52/277111452.db2.gz MUDIIPSTJGJPHD-KRWDZBQOSA-N 1 0 307.482 2.195 10 0 DEAERO CC(C)CC(=O)NCCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000154928402 277344212 /nfs/dbraw/zinc/34/42/12/277344212.db2.gz QUNCXDIRQIHSEJ-INIZCTEOSA-N 1 0 323.481 2.016 10 0 DEAERO COCC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000112352417 277486644 /nfs/dbraw/zinc/48/66/44/277486644.db2.gz NWWONVPVXJGTKR-ZDUSSCGKSA-N 1 0 322.371 2.146 10 0 DEAERO C[C@@H]1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)[C@@H](C[NH3+])C1 ZINC000261924269 277746223 /nfs/dbraw/zinc/74/62/23/277746223.db2.gz ZFALFZKMENYWNU-WDBKCZKBSA-N 1 0 308.809 2.229 10 0 DEAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H]1[C@H]3CCO[C@H]3C13CCC3)CC2 ZINC000194096072 278077782 /nfs/dbraw/zinc/07/77/82/278077782.db2.gz JKZXQRNAXUWROC-LQKXBSAESA-N 1 0 316.449 2.264 10 0 DEAERO CC(C)c1nn(C)c(Cl)c1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248576618 278090687 /nfs/dbraw/zinc/09/06/87/278090687.db2.gz DRIAQXLIMBFETE-GARJFASQSA-N 1 0 310.829 2.006 10 0 DEAERO CC(=O)N[C@@H](CC(=O)N[C@](C)(C[NH3+])CC(C)C)c1ccccc1 ZINC000236672880 278135198 /nfs/dbraw/zinc/13/51/98/278135198.db2.gz HCAASSFVPDWKFX-WMZOPIPTSA-N 1 0 319.449 2.134 10 0 DEAERO C[C@@H]([NH2+]CCCN1CCOCC1)c1ccccc1-n1cccn1 ZINC000177179830 278345539 /nfs/dbraw/zinc/34/55/39/278345539.db2.gz HIHDKTDNBAEPNE-MRXNPFEDSA-N 1 0 314.433 2.245 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c(Cl)cc1F ZINC000237790955 278739735 /nfs/dbraw/zinc/73/97/35/278739735.db2.gz XPRKIYBJADTARY-BXKDBHETSA-N 1 0 320.817 2.193 10 0 DEAERO CCC[C@H](C(=O)N(C)Cc1cn(C)nc1C(F)(F)F)[NH+](C)C ZINC000164741111 278917959 /nfs/dbraw/zinc/91/79/59/278917959.db2.gz ZWBLFVMWXCKSFF-LLVKDONJSA-N 1 0 320.359 2.128 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251433659 279063879 /nfs/dbraw/zinc/06/38/79/279063879.db2.gz BQRQQDJSBBYFLF-ULQDDVLXSA-N 1 0 323.481 2.460 10 0 DEAERO CC(C)C[C@H](C)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000184767766 279084693 /nfs/dbraw/zinc/08/46/93/279084693.db2.gz YXRSJFHABDMSSH-IRXDYDNUSA-N 1 0 309.498 2.297 10 0 DEAERO CC(C)C[C@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000091889029 279105398 /nfs/dbraw/zinc/10/53/98/279105398.db2.gz OSLUCVNOGMFLAW-IRXDYDNUSA-N 1 0 324.513 2.233 10 0 DEAERO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000488731366 279110748 /nfs/dbraw/zinc/11/07/48/279110748.db2.gz JKKOTMDAEWWFQU-UWWQBHOKSA-N 1 0 316.445 2.225 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCC(=O)OC(C)(C)C ZINC000191913024 279121775 /nfs/dbraw/zinc/12/17/75/279121775.db2.gz GIVBLONRQASLDZ-CYBMUJFWSA-N 1 0 300.443 2.201 10 0 DEAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CSC(=O)N2)c1 ZINC000154953741 279138329 /nfs/dbraw/zinc/13/83/29/279138329.db2.gz CCQLGEVJRLPLFH-CYBMUJFWSA-N 1 0 307.419 2.292 10 0 DEAERO C[C@H]1CCN(CC(=O)Nc2nc3ccccc3s2)[C@@H](C[NH3+])C1 ZINC000262522222 279720974 /nfs/dbraw/zinc/72/09/74/279720974.db2.gz OFFQWBVTSUMLCN-NWDGAFQWSA-N 1 0 318.446 2.294 10 0 DEAERO C[C@H]1CCN(c2ccccc2S(=O)(=O)C(F)F)C[C@H]1C[NH3+] ZINC000253196573 279729204 /nfs/dbraw/zinc/72/92/04/279729204.db2.gz SXPAHOHOLXJISF-WDEREUQCSA-N 1 0 318.389 2.104 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CSCCS2)C12CCOCC2 ZINC000248922663 279872644 /nfs/dbraw/zinc/87/26/44/279872644.db2.gz FIQFFCDJMISEAR-MELADBBJSA-N 1 0 317.520 2.399 10 0 DEAERO CC[C@@H](C(=O)N[C@@H](C)c1ccccc1-n1cccn1)[NH+](C)C ZINC000157468854 280080113 /nfs/dbraw/zinc/08/01/13/280080113.db2.gz RUJUVMUXEHDGQO-ZFWWWQNUSA-N 1 0 300.406 2.390 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000261608421 280516540 /nfs/dbraw/zinc/51/65/40/280516540.db2.gz DLHXLAJBTAUSOF-IINYFYTJSA-N 1 0 314.426 2.190 10 0 DEAERO CC[C@]1(C)CN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC000188229025 281319225 /nfs/dbraw/zinc/31/92/25/281319225.db2.gz VVWUQOMZINQQRC-NVXWUHKLSA-N 1 0 311.470 2.317 10 0 DEAERO CN(C[C@H]1CCCOC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125393735 281812863 /nfs/dbraw/zinc/81/28/63/281812863.db2.gz LMJUSLFJFBXGQM-HWOWSKLDSA-N 1 0 311.470 2.175 10 0 DEAERO C[NH+](C)C1(CNC(=O)C(C)(C)c2cccs2)CCOCC1 ZINC000115386820 282028112 /nfs/dbraw/zinc/02/81/12/282028112.db2.gz SJWZVPVUAUEHLR-UHFFFAOYSA-N 1 0 310.463 2.253 10 0 DEAERO COCc1ccccc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247302343 293316365 /nfs/dbraw/zinc/31/63/65/293316365.db2.gz LLLAOAKNMQQLHO-WMLDXEAASA-N 1 0 319.449 2.361 10 0 DEAERO CO[C@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[C@H]1C ZINC000187272395 294569797 /nfs/dbraw/zinc/56/97/97/294569797.db2.gz CZOBSLVZVIKUBO-OCCSQVGLSA-N 1 0 311.470 2.362 10 0 DEAERO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000191954658 295295521 /nfs/dbraw/zinc/29/55/21/295295521.db2.gz QDECZRFCXFFWHL-RHSMWYFYSA-N 1 0 320.433 2.153 10 0 DEAERO COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CCNC3=O)CCN2C2CC2)c1 ZINC000328721876 295322312 /nfs/dbraw/zinc/32/23/12/295322312.db2.gz XDQZAHKDOYQLOG-BRWVUGGUSA-N 1 0 315.417 2.291 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000190601104 297566494 /nfs/dbraw/zinc/56/64/94/297566494.db2.gz QOPTYWWJNCGJEX-KKUMJFAQSA-N 1 0 306.406 2.348 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000262744195 300326344 /nfs/dbraw/zinc/32/63/44/300326344.db2.gz DBYNCUAIDGWPCY-SWLSCSKDSA-N 1 0 310.463 2.260 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000089091987 300961921 /nfs/dbraw/zinc/96/19/21/300961921.db2.gz QDJOIJLMHZFAKE-CMPLNLGQSA-N 1 0 302.827 2.054 10 0 DEAERO O[C@H]1[C@H](C[NH2+]Cc2cccc3c[nH]nc32)CCC12CCOCC2 ZINC000568124041 325915655 /nfs/dbraw/zinc/91/56/55/325915655.db2.gz YDWVKJIWQQWVIE-RDJZCZTQSA-N 1 0 315.417 2.220 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCc3ncc(C)cc3C)[C@H]2C1 ZINC000573115503 326025386 /nfs/dbraw/zinc/02/53/86/326025386.db2.gz YBGGFZNBJXUSHC-LNLFQRSKSA-N 1 0 315.461 2.478 10 0 DEAERO Fc1cc(C[NH2+]CCOCC2CCC2)ccc1-n1cncn1 ZINC000573772105 326089289 /nfs/dbraw/zinc/08/92/89/326089289.db2.gz CBXHVLCIHDRCJH-UHFFFAOYSA-N 1 0 304.369 2.313 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(Br)cn1 ZINC000576522203 326299992 /nfs/dbraw/zinc/29/99/92/326299992.db2.gz ZJINVSOUQMDPLA-ONGXEEELSA-N 1 0 312.211 2.116 10 0 DEAERO Cn1cc(OCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000577077915 326341814 /nfs/dbraw/zinc/34/18/14/326341814.db2.gz QRVKJOVNIMTKDN-UHFFFAOYSA-N 1 0 314.389 2.033 10 0 DEAERO COC[C@H](C)C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000187670514 332981336 /nfs/dbraw/zinc/98/13/36/332981336.db2.gz RXIBOULAZZIBLQ-ILXRZTDVSA-N 1 0 307.438 2.067 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000187714442 332984341 /nfs/dbraw/zinc/98/43/41/332984341.db2.gz ROVALUFHIPTJKV-YPMHNXCESA-N 1 0 321.339 2.317 10 0 DEAERO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000188286968 333041609 /nfs/dbraw/zinc/04/16/09/333041609.db2.gz IJZVADVTDIYZIY-GXTWGEPZSA-N 1 0 323.400 2.234 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000188286986 333041711 /nfs/dbraw/zinc/04/17/11/333041711.db2.gz IJZVADVTDIYZIY-JSGCOSHPSA-N 1 0 323.400 2.234 10 0 DEAERO COC[C@H](C)C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000189621495 333164739 /nfs/dbraw/zinc/16/47/39/333164739.db2.gz DGKIQPDOYVKHLV-GFCCVEGCSA-N 1 0 306.435 2.096 10 0 DEAERO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccccc1I ZINC000382291994 333236213 /nfs/dbraw/zinc/23/62/13/333236213.db2.gz LFPLPIGCNOTXQA-XXILOJSOSA-N 1 0 317.170 2.465 10 0 DEAERO COc1cccc([C@H](CNC(=O)[C@@H]2CCOC[C@@H]2C)[NH+](C)C)c1 ZINC000195335833 533779627 /nfs/dbraw/zinc/77/96/27/533779627.db2.gz AZOLPOBOCGABHL-XKQJLSEDSA-N 1 0 320.433 2.087 10 0 DEAERO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000328646182 533787373 /nfs/dbraw/zinc/78/73/73/533787373.db2.gz SLXJCSZIBBWOFE-FRFSOERESA-N 1 0 307.438 2.435 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)CCc2cccs2)CC[N@@H+]1C ZINC000195384100 533897072 /nfs/dbraw/zinc/89/70/72/533897072.db2.gz ZCPWSSPSNHCOFM-CHWSQXEVSA-N 1 0 316.492 2.035 10 0 DEAERO Cc1c(Cl)cc(S(=O)(=O)NC(C)(C)C[NH3+])cc1Cl ZINC000262119819 518186012 /nfs/dbraw/zinc/18/60/12/518186012.db2.gz JQAAHXDQPUOKHG-UHFFFAOYSA-N 1 0 311.234 2.317 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCOc2cccc(C=O)c2)C1 ZINC000161306317 519691062 /nfs/dbraw/zinc/69/10/62/519691062.db2.gz XHMYVNKCKJVAPX-PBHICJAKSA-N 1 0 318.417 2.113 10 0 DEAERO NC(=O)c1ccc(C[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)cc1 ZINC000299744094 534481175 /nfs/dbraw/zinc/48/11/75/534481175.db2.gz QVPDCKRHDVSDLA-INIZCTEOSA-N 1 0 324.428 2.308 10 0 DEAERO CCCOc1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)cc1OC ZINC000128078050 520352581 /nfs/dbraw/zinc/35/25/81/520352581.db2.gz XIYWHGHLKPCXNJ-INIZCTEOSA-N 1 0 322.449 2.246 10 0 DEAERO Cc1ccc2[nH+]ccc(NC3CCN(S(C)(=O)=O)CC3)c2c1 ZINC000302139303 534522939 /nfs/dbraw/zinc/52/29/39/534522939.db2.gz CXTVYNIKLNIMRA-UHFFFAOYSA-N 1 0 319.430 2.379 10 0 DEAERO CCN(CC)c1ncc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)s1 ZINC000245542479 520934397 /nfs/dbraw/zinc/93/43/97/520934397.db2.gz PVLHSIHOLNYJPV-VXGBXAGGSA-N 1 0 310.467 2.075 10 0 DEAERO CCN(CCc1nccs1)C(=O)NCC[N@H+](CC)C1CC1 ZINC000163336020 521177046 /nfs/dbraw/zinc/17/70/46/521177046.db2.gz LHOSQUIUILOJLI-UHFFFAOYSA-N 1 0 310.467 2.201 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@](C)(CO)C2CCCCC2)C1 ZINC000245848598 521620762 /nfs/dbraw/zinc/62/07/62/521620762.db2.gz ANIVHSATGJOUDB-NVXWUHKLSA-N 1 0 311.470 2.101 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2sc([C@H](C)OC)nc2C)C1 ZINC000246546667 521623123 /nfs/dbraw/zinc/62/31/23/521623123.db2.gz YIOQTFFIWREGSR-NWDGAFQWSA-N 1 0 311.451 2.373 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000105896904 522591553 /nfs/dbraw/zinc/59/15/53/522591553.db2.gz XOBWFMNUWIAWJA-JKSUJKDBSA-N 1 0 318.465 2.341 10 0 DEAERO COc1cc(OC)cc([C@H]2CC[N@H+](CC3(O)CCOCC3)C2)c1 ZINC000156689065 522887788 /nfs/dbraw/zinc/88/77/88/522887788.db2.gz CSEMTYMPJLJRPI-AWEZNQCLSA-N 1 0 321.417 2.035 10 0 DEAERO CCc1oc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000119524300 522987040 /nfs/dbraw/zinc/98/70/40/522987040.db2.gz CHGUHRZVFBRCPX-KBPBESRZSA-N 1 0 308.422 2.380 10 0 DEAERO CC[C@H]1CN(Cc2nc(CCC(C)C)no2)CC[N@@H+]1CCOC ZINC000106112990 523296725 /nfs/dbraw/zinc/29/67/25/523296725.db2.gz QCCZQBZULKFTPD-HNNXBMFYSA-N 1 0 324.469 2.201 10 0 DEAERO Cn1c2ccc(C[NH2+][C@H]3CCCC[C@@H]3CO)cc2sc1=O ZINC000328893079 534709765 /nfs/dbraw/zinc/70/97/65/534709765.db2.gz UGDFMXFAAOCXAF-OLZOCXBDSA-N 1 0 306.431 2.241 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H](C)c1ccccc1 ZINC000111866019 523825924 /nfs/dbraw/zinc/82/59/24/523825924.db2.gz BPTQFANMFQTAGB-NVXWUHKLSA-N 1 0 319.449 2.500 10 0 DEAERO Cn1cc([C@H]([NH2+]CC2(CCO)CC2)c2cccc(F)c2)cn1 ZINC000188065624 534756311 /nfs/dbraw/zinc/75/63/11/534756311.db2.gz BLKYDLATYSIWTI-MRXNPFEDSA-N 1 0 303.381 2.401 10 0 DEAERO COc1ccc(O)cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000249121024 524779589 /nfs/dbraw/zinc/77/95/89/524779589.db2.gz PVXMWTJWPFACOG-STQMWFEESA-N 1 0 306.406 2.251 10 0 DEAERO C[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000124117458 525288244 /nfs/dbraw/zinc/28/82/44/525288244.db2.gz QZUXEMZSQZOWHE-PBHICJAKSA-N 1 0 304.434 2.091 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000246204304 525305812 /nfs/dbraw/zinc/30/58/12/525305812.db2.gz FFZLAOZEJUSHMT-SHPPOPEUSA-N 1 0 315.417 2.138 10 0 DEAERO CSCC[C@@H]([NH3+])C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000157910445 525546539 /nfs/dbraw/zinc/54/65/39/525546539.db2.gz DRFYVCBBKRIPOP-OAHLLOKOSA-N 1 0 315.442 2.445 10 0 DEAERO C[C@H](OC[C@H]1CCCCO1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246915367 525913917 /nfs/dbraw/zinc/91/39/17/525913917.db2.gz QIVKQRQQJOKGCR-UCHQMPSGSA-N 1 0 324.465 2.092 10 0 DEAERO COc1cccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000158881926 525985550 /nfs/dbraw/zinc/98/55/50/525985550.db2.gz GELOWQWIQDYDKX-UHFFFAOYSA-N 1 0 320.437 2.010 10 0 DEAERO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CC2CCCC2)CC1 ZINC000103491760 526031937 /nfs/dbraw/zinc/03/19/37/526031937.db2.gz RZTGGKGENHYDKF-OAHLLOKOSA-N 1 0 307.482 2.242 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000178809874 534911988 /nfs/dbraw/zinc/91/19/88/534911988.db2.gz GGCHCVHYLMIHOD-AWEZNQCLSA-N 1 0 306.454 2.181 10 0 DEAERO O=C(NC[C@H]1CCC[NH2+]C1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000237892621 526598096 /nfs/dbraw/zinc/59/80/96/526598096.db2.gz CXLGAZBAFDJOQX-LBPRGKRZSA-N 1 0 318.808 2.255 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000246199914 527365104 /nfs/dbraw/zinc/36/51/04/527365104.db2.gz DZPOVROOEQAYIO-WQHBLYJGSA-N 1 0 317.216 2.270 10 0 DEAERO CC[NH+](CC)CC1CCN(S(=O)(=O)CCC(C)C)CC1 ZINC000439237298 528094573 /nfs/dbraw/zinc/09/45/73/528094573.db2.gz MGROZBPJOLWCPL-UHFFFAOYSA-N 1 0 304.500 2.416 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CC(C)(C)OC(C)(C)C2)CC1 ZINC000443180005 528114774 /nfs/dbraw/zinc/11/47/74/528114774.db2.gz JFBZEDBMROVLFM-UHFFFAOYSA-N 1 0 309.454 2.237 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(F)cc1F ZINC000189137487 528292265 /nfs/dbraw/zinc/29/22/65/528292265.db2.gz XZNVPDITPLKVBK-LBPRGKRZSA-N 1 0 320.405 2.219 10 0 DEAERO CCOc1cc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ncn1 ZINC000328622658 528327784 /nfs/dbraw/zinc/32/77/84/528327784.db2.gz IPOVWNWKURAYLR-YOEHRIQHSA-N 1 0 313.405 2.375 10 0 DEAERO CC[N@H+](CCO)CCNc1ncnc2sc3c(c21)CCCC3 ZINC000302227892 528552598 /nfs/dbraw/zinc/55/25/98/528552598.db2.gz VAHDZHNVKONXQR-UHFFFAOYSA-N 1 0 320.462 2.296 10 0 DEAERO CCCn1cc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)cn1 ZINC000328648473 528846553 /nfs/dbraw/zinc/84/65/53/528846553.db2.gz UPXCIKGOAHVJBL-JKSUJKDBSA-N 1 0 303.410 2.037 10 0 DEAERO CC(C)Oc1cccc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000247582100 535039174 /nfs/dbraw/zinc/03/91/74/535039174.db2.gz IMYDHTZKPBOAEC-HOTGVXAUSA-N 1 0 306.450 2.361 10 0 DEAERO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1F ZINC000261559795 535042172 /nfs/dbraw/zinc/04/21/72/535042172.db2.gz VTWCQZJJYUXUKD-LLVKDONJSA-N 1 0 308.806 2.131 10 0 DEAERO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)C2 ZINC000261814407 535137452 /nfs/dbraw/zinc/13/74/52/535137452.db2.gz MCQIMTSDJDOYAD-KGLIPLIRSA-N 1 0 318.465 2.001 10 0 DEAERO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000358172810 535230433 /nfs/dbraw/zinc/23/04/33/535230433.db2.gz UYHYCZIXSXNHJY-CYBMUJFWSA-N 1 0 317.437 2.483 10 0 DEAERO CC1(C)CN(CC(=O)N[C@@H](c2ccccc2)C2CC2)CC[C@@H]1[NH3+] ZINC000261822010 535352862 /nfs/dbraw/zinc/35/28/62/535352862.db2.gz XZVYAILYOPLQDM-WMZOPIPTSA-N 1 0 315.461 2.313 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@H]2C[C@@H](OC(C)C)C2)CC1 ZINC000458452594 535449100 /nfs/dbraw/zinc/44/91/00/535449100.db2.gz HXIGYXABCGHACF-IYBDPMFKSA-N 1 0 311.470 2.364 10 0 DEAERO CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261846860 535512901 /nfs/dbraw/zinc/51/29/01/535512901.db2.gz AWXOGMZQMRMVCR-BRWVUGGUSA-N 1 0 304.434 2.332 10 0 DEAERO 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C[NH2+][C@@H](C)Cc1noc(CCc2cc(OC)ccc2OC)n1 ZINC000261664508 536349050 /nfs/dbraw/zinc/34/90/50/536349050.db2.gz FVYMMZTWFUTGFU-NSHDSACASA-N 1 0 305.378 2.022 10 0 DEAERO CO[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000247497205 536605110 /nfs/dbraw/zinc/60/51/10/536605110.db2.gz USLARKHQAPKACJ-USXIJHARSA-N 1 0 317.433 2.252 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)CCc3ccccc3)[C@H]2C1 ZINC000248564087 536700103 /nfs/dbraw/zinc/70/01/03/536700103.db2.gz KFBICOVQQYDEEV-YRXWBPOGSA-N 1 0 319.445 2.248 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)ccn1 ZINC000375466076 536773273 /nfs/dbraw/zinc/77/32/73/536773273.db2.gz RWBHITCQHKEDES-ZDUSSCGKSA-N 1 0 300.362 2.340 10 0 DEAERO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H](C)CO)c(OC)c1 ZINC000248006767 536779807 /nfs/dbraw/zinc/77/98/07/536779807.db2.gz KWNKATWHUPPFIU-AGIUHOORSA-N 1 0 324.421 2.027 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)NCc1ccc(C2CC2)cc1 ZINC000191115889 536788264 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QHIHXACBQJZLLP-BZNIZROVSA-N 1 0 305.353 2.425 10 0 DEAERO CC(C)COc1cccc(CNC(=[NH2+])NC[C@H]2CCCO2)c1 ZINC000066244721 625057918 /nfs/dbraw/zinc/05/79/18/625057918.db2.gz SSBYUZFVGKNZMG-MRXNPFEDSA-N 1 0 305.422 2.305 10 0 DEAERO Cc1cc(F)ccc1-c1noc(CN2CCCC[C@@H]([NH3+])C2=O)n1 ZINC000888078390 625059090 /nfs/dbraw/zinc/05/90/90/625059090.db2.gz NGYBXRAUWNWSHO-CYBMUJFWSA-N 1 0 318.352 2.024 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])CCOC ZINC000052808129 625105736 /nfs/dbraw/zinc/10/57/36/625105736.db2.gz GBBRHEWHMOSMBN-NSHDSACASA-N 1 0 300.786 2.431 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000052809739 625106528 /nfs/dbraw/zinc/10/65/28/625106528.db2.gz KENVILQHLPIFJU-CYBMUJFWSA-N 1 0 305.403 2.421 10 0 DEAERO CCc1ccc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)s1 ZINC000052899163 625120558 /nfs/dbraw/zinc/12/05/58/625120558.db2.gz AULHWZZKUPVYIJ-UHFFFAOYSA-N 1 0 324.471 2.290 10 0 DEAERO COC(=O)CCC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000173346028 625124354 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C[NH2+]C1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000237097488 636469181 /nfs/dbraw/zinc/46/91/81/636469181.db2.gz ZRMMFWRMAWNERH-DHZHZOJOSA-N 1 0 314.838 2.324 10 0 DEAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000186949371 636643379 /nfs/dbraw/zinc/64/33/79/636643379.db2.gz ZDDXCSDIRRMEOC-RULNRJAQSA-N 1 0 314.788 2.098 10 0 DEAERO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000237154368 637292258 /nfs/dbraw/zinc/29/22/58/637292258.db2.gz GNIOYRCXEXVMHU-ZBFHGGJFSA-N 1 0 316.401 2.197 10 0 DEAERO CC(C)(C)OC(=O)NCC[NH2+][C@@H](CCO)c1cccs1 ZINC000740899636 637915437 /nfs/dbraw/zinc/91/54/37/637915437.db2.gz BLQXCBZLMCWANO-NSHDSACASA-N 1 0 300.424 2.286 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)NCC[N@H+]3CCC[C@@H]3C)cc2)c1 ZINC000742239205 638051532 /nfs/dbraw/zinc/05/15/32/638051532.db2.gz LAEILNVCDBOBDF-HNNXBMFYSA-N 1 0 312.417 2.395 10 0 DEAERO CC[NH+](CC)CC1CCN(c2ccnc(C(=O)N(C)C)c2)CC1 ZINC000742393036 638067239 /nfs/dbraw/zinc/06/72/39/638067239.db2.gz CYODGWXHNGRLLS-UHFFFAOYSA-N 1 0 318.465 2.342 10 0 DEAERO CNC(=O)c1ccc(C[N@H+](C/C=C(\C)C(=O)OC)C2CC2)cc1 ZINC000748815745 638594589 /nfs/dbraw/zinc/59/45/89/638594589.db2.gz QCYQRWIGXMBPQE-JLHYYAGUSA-N 1 0 316.401 2.130 10 0 DEAERO COC1CC[NH+](CCNC(=O)/C=C(\C)c2cccc(F)c2)CC1 ZINC000750860579 639035321 /nfs/dbraw/zinc/03/53/21/639035321.db2.gz BOVMZDQNYZYGAD-WYMLVPIESA-N 1 0 320.408 2.456 10 0 DEAERO COc1ccc(OC)c(CN2CCCC[C@H]2C2OCCO2)c1 ZINC000728174563 639049085 /nfs/dbraw/zinc/04/90/85/639049085.db2.gz QRIRRBXZPSODQR-HNNXBMFYSA-N 1 0 307.390 2.431 10 0 DEAERO C[C@H](CO)C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000751579745 639095992 /nfs/dbraw/zinc/09/59/92/639095992.db2.gz IDBIYSRSKDPHIZ-GXFFZTMASA-N 1 0 302.212 2.043 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)C[C@@H](OC)C3)C1 ZINC000752924425 639235944 /nfs/dbraw/zinc/23/59/44/639235944.db2.gz ARWNNBLNOYYVIB-DYVFJYSZSA-N 1 0 317.433 2.264 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)NCCNc2cc[nH+]cc2)s1 ZINC000729599253 640808651 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CC(C)C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000226075938 646556889 /nfs/dbraw/zinc/55/68/89/646556889.db2.gz VPEMEPSDAYPMPT-KGLIPLIRSA-N 1 0 300.443 2.383 10 0 DEAERO CC(=O)N(C)C1CC[NH+](C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000075676036 646602814 /nfs/dbraw/zinc/60/28/14/646602814.db2.gz QMTVOZRBPTZUPK-SFHVURJKSA-N 1 0 304.434 2.280 10 0 DEAERO NC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000170733339 646663537 /nfs/dbraw/zinc/66/35/37/646663537.db2.gz FHDDZLHFSMVFNE-DOMZBBRYSA-N 1 0 310.825 2.351 10 0 DEAERO C[C@H]1CCN(CN2CCOC2=S)CC[N@@H+]1Cc1ccccc1 ZINC000173532479 646772048 /nfs/dbraw/zinc/77/20/48/646772048.db2.gz ZLVAHOLPEBKVJH-HNNXBMFYSA-N 1 0 319.474 2.157 10 0 DEAERO CC[C@H]1CN(C[C@H](O)c2cc(C)cc(C)c2)CC[N@@H+]1CCOC ZINC000174782680 647346282 /nfs/dbraw/zinc/34/62/82/647346282.db2.gz WJVQDVJSGAHRFM-OALUTQOASA-N 1 0 320.477 2.379 10 0 DEAERO CC[N@H+](C[C@@H](O)CN1CCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000731399495 647473552 /nfs/dbraw/zinc/47/35/52/647473552.db2.gz KTPGSOYGSOWMBY-WMZOPIPTSA-N 1 0 320.477 2.405 10 0 DEAERO C/C(=C/C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(F)c1 ZINC000732064765 647537637 /nfs/dbraw/zinc/53/76/37/647537637.db2.gz FSZKSUUWFXVWGL-LUXXUUORSA-N 1 0 318.392 2.208 10 0 DEAERO Cn1ccnc1[C@@H]1OCCC[C@H]1C[NH2+]CCc1ccncc1 ZINC000850189673 647847519 /nfs/dbraw/zinc/84/75/19/647847519.db2.gz JHLHDWHBPHPADA-JKSUJKDBSA-N 1 0 300.406 2.115 10 0 DEAERO C[C@H](CNC(=O)c1cc(Cl)nc(N(C)C)c1)[NH+]1CCCC1 ZINC000733150519 647893573 /nfs/dbraw/zinc/89/35/73/647893573.db2.gz LOEXNNQZXQWXHP-LLVKDONJSA-N 1 0 310.829 2.015 10 0 DEAERO Cc1cc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(C)[nH]1 ZINC000733160021 647895163 /nfs/dbraw/zinc/89/51/63/647895163.db2.gz ZXGDZPAGOWGHSD-OAHLLOKOSA-N 1 0 305.422 2.005 10 0 DEAERO CNC(=O)[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC000183658214 649131081 /nfs/dbraw/zinc/13/10/81/649131081.db2.gz MZSIHYDBSAIWSH-CYBMUJFWSA-N 1 0 312.797 2.108 10 0 DEAERO CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C[C@@H](O)C[NH3+] ZINC000072408000 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C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000389810536 685436315 /nfs/dbraw/zinc/43/63/15/685436315.db2.gz YQYFCDBEZKYBTI-IKVQXRKZSA-N 1 0 314.838 2.228 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]CCc2cn(C)cn2)CCCN1C(=O)OC(C)(C)C ZINC000396679482 685462813 /nfs/dbraw/zinc/46/28/13/685462813.db2.gz VBOWQIQBHRXAAX-HIFRSBDPSA-N 1 0 322.453 2.340 10 0 DEAERO COC(C)(C)[C@H](C)[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000397215844 685464635 /nfs/dbraw/zinc/46/46/35/685464635.db2.gz DQUPDROSCVJGKZ-ZDUSSCGKSA-N 1 0 306.406 2.411 10 0 DEAERO CC[C@H]1CCc2c(sc(=O)n2CN2CC[NH+](C3CC3)CC2)C1 ZINC000076265408 683941886 /nfs/dbraw/zinc/94/18/86/683941886.db2.gz ZFFSJZXXGMYGQS-ZDUSSCGKSA-N 1 0 321.490 2.162 10 0 DEAERO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CN1CCOC1=S ZINC000088503982 684016905 /nfs/dbraw/zinc/01/69/05/684016905.db2.gz SFSCRXCRSJLJCG-AWEZNQCLSA-N 1 0 305.447 2.292 10 0 DEAERO CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC([NH+](C)C)CC1 ZINC000119693743 684085952 /nfs/dbraw/zinc/08/59/52/684085952.db2.gz UTJBMSYTECORCP-UHFFFAOYSA-N 1 0 312.845 2.363 10 0 DEAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000123038464 684121697 /nfs/dbraw/zinc/12/16/97/684121697.db2.gz LEEYLYSSNDVMOX-MRXNPFEDSA-N 1 0 318.417 2.493 10 0 DEAERO Cn1cc(CC(=O)OCCC[N@H+](C)Cc2ccccc2)cn1 ZINC000129519921 684179645 /nfs/dbraw/zinc/17/96/45/684179645.db2.gz IFPSROAUXJDKDM-UHFFFAOYSA-N 1 0 301.390 2.028 10 0 DEAERO [NH3+][C@H](CNC(=O)COc1ccc(Cl)c2cccnc12)C1CC1 ZINC000137363416 684244127 /nfs/dbraw/zinc/24/41/27/684244127.db2.gz JLGVXUYENNIJHV-CYBMUJFWSA-N 1 0 319.792 2.121 10 0 DEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CN1C(=O)C(C)(C)C1(C)C ZINC000176073422 684332616 /nfs/dbraw/zinc/33/26/16/684332616.db2.gz BBZAVMCIXNCGMS-CQSZACIVSA-N 1 0 304.438 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(Br)cs2)C1 ZINC000188848804 684365244 /nfs/dbraw/zinc/36/52/44/684365244.db2.gz SULZVOSJMZQHLE-MRVPVSSYSA-N 1 0 318.240 2.120 10 0 DEAERO CC(C)COC1CCN(Cn2cc3[nH]cccc-3c2=O)CC1 ZINC000190213080 684399263 /nfs/dbraw/zinc/39/92/63/684399263.db2.gz CBNUPGVGIXIQOP-UHFFFAOYSA-N 1 0 303.406 2.132 10 0 DEAERO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(N2CCOC2=O)cc1 ZINC000190663167 684411496 /nfs/dbraw/zinc/41/14/96/684411496.db2.gz WFSUYPKCKITPIF-ZDUSSCGKSA-N 1 0 320.389 2.447 10 0 DEAERO CC1(C)C[NH2+]CCN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000214045002 685104447 /nfs/dbraw/zinc/10/44/47/685104447.db2.gz WPCNHGOZSKILDN-YFHOEESVSA-N 1 0 314.838 2.324 10 0 DEAERO CC[C@@H]1CN(C[C@@H](O)c2cc(C)cc(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000246797647 685136881 /nfs/dbraw/zinc/13/68/81/685136881.db2.gz VEFCEHRBAXHPQE-QXAKKESOSA-N 1 0 320.477 2.114 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247059873 685141675 /nfs/dbraw/zinc/14/16/75/685141675.db2.gz WBKHPNKEKBLQBP-OWCLPIDISA-N 1 0 323.481 2.412 10 0 DEAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000248846094 685169324 /nfs/dbraw/zinc/16/93/24/685169324.db2.gz RQMOOHSHUJXVOJ-XGUBFFRZSA-N 1 0 312.454 2.477 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)C1 ZINC000252656690 685193691 /nfs/dbraw/zinc/19/36/91/685193691.db2.gz NURSRHPMLQBIPQ-APHBMKBZSA-N 1 0 315.417 2.105 10 0 DEAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)COC2CCCC2)C1 ZINC000886094258 692001956 /nfs/dbraw/zinc/00/19/56/692001956.db2.gz YVRUYDBEAWLMGV-ZACQAIPSSA-N 1 0 324.465 2.046 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(C)c1Cl ZINC000932412127 694609180 /nfs/dbraw/zinc/60/91/80/694609180.db2.gz YIKIGDPCPCQMMU-WDEREUQCSA-N 1 0 311.817 2.164 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000722593516 776537289 /nfs/dbraw/zinc/53/72/89/776537289.db2.gz BHXXOKUGOGEWGX-RNCFNFMXSA-N 1 0 316.492 2.279 10 0 DEAERO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2c(C)sc(C)c2C)C1 ZINC000722596946 776544490 /nfs/dbraw/zinc/54/44/90/776544490.db2.gz FCUFFQCFIOQPAR-ZDUSSCGKSA-N 1 0 316.492 2.293 10 0 DEAERO CN1C[C@H](CC[NH2+]Cc2ccc(Br)cc2)CC1=O ZINC000723566721 777124893 /nfs/dbraw/zinc/12/48/93/777124893.db2.gz MFOUQCTTWUKOAM-GFCCVEGCSA-N 1 0 311.223 2.407 10 0 DEAERO CN1C[C@H](CC[NH2+]C2CC(OCc3ccccc3)C2)CC1=O ZINC000723588814 777129332 /nfs/dbraw/zinc/12/93/32/777129332.db2.gz BEWVBUWYIYKYGE-KLAILNCOSA-N 1 0 302.418 2.192 10 0 DEAERO CC(C)N(C)C[C@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724040366 777226408 /nfs/dbraw/zinc/22/64/08/777226408.db2.gz HDMKGNIXIHVQQY-UWVGGRQHSA-N 1 0 306.319 2.253 10 0 DEAERO CCCN(CC)CC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724041231 777227796 /nfs/dbraw/zinc/22/77/96/777227796.db2.gz MKXCQJCTAMCNGE-SNVBAGLBSA-N 1 0 306.319 2.257 10 0 DEAERO C[C@@](O)(C[N@@H+]1CC[C@@H](O)C(C)(C)C1)C(F)(F)C(F)(F)F ZINC000724041304 777228489 /nfs/dbraw/zinc/22/84/89/777228489.db2.gz NIGHVYFYRFAAHE-PSASIEDQSA-N 1 0 305.287 2.028 10 0 DEAERO CC[C@]1(O)CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724060305 777233219 /nfs/dbraw/zinc/23/32/19/777233219.db2.gz UMAXAHWFCWJCMQ-UWVGGRQHSA-N 1 0 305.287 2.172 10 0 DEAERO CC[C@@]1(O)CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724060306 777233524 /nfs/dbraw/zinc/23/35/24/777233524.db2.gz UMAXAHWFCWJCMQ-VHSXEESVSA-N 1 0 305.287 2.172 10 0 DEAERO CC(=O)[C@@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724107458 777242458 /nfs/dbraw/zinc/24/24/58/777242458.db2.gz CKTIVTQJCTYQBH-NXEZZACHSA-N 1 0 303.271 2.236 10 0 DEAERO COC[C@@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724109836 777243170 /nfs/dbraw/zinc/24/31/70/777243170.db2.gz ADGPJXCOVYYKPJ-NXEZZACHSA-N 1 0 305.287 2.293 10 0 DEAERO C[C@@H]1CC(C[NH2+]Cc2nc(Br)c[nH]2)C[C@@H](C)O1 ZINC000724286391 777271877 /nfs/dbraw/zinc/27/18/77/777271877.db2.gz DPYLHVRHDONAFA-RKDXNWHRSA-N 1 0 302.216 2.465 10 0 DEAERO Brc1cc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cs1 ZINC000724651937 777433385 /nfs/dbraw/zinc/43/33/85/777433385.db2.gz BZTBWPRRLMKFBY-VWYCJHECSA-N 1 0 318.236 2.404 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)[C@@H]1CCCCO1 ZINC000724664084 777443809 /nfs/dbraw/zinc/44/38/09/777443809.db2.gz IPFHIHQPNSICER-AGIUHOORSA-N 1 0 300.399 2.085 10 0 DEAERO OCCCSCC[NH2+]Cc1ncc(Br)s1 ZINC000308948725 777570699 /nfs/dbraw/zinc/57/06/99/777570699.db2.gz TZPQVHBOQAIPIN-UHFFFAOYSA-N 1 0 311.270 2.111 10 0 DEAERO OCC[C@@H]([NH2+]Cc1nc(Br)c[nH]1)C1CCCC1 ZINC000725090691 777582637 /nfs/dbraw/zinc/58/26/37/777582637.db2.gz XFFQNGRFZFENDU-SNVBAGLBSA-N 1 0 302.216 2.203 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000722268709 778556123 /nfs/dbraw/zinc/55/61/23/778556123.db2.gz ZRMMNZSQXAABNA-BARDWOONSA-N 1 0 311.470 2.220 10 0 DEAERO Brc1c[nH]c(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)n1 ZINC000722315559 778603546 /nfs/dbraw/zinc/60/35/46/778603546.db2.gz CCJBCGIVXYBWNX-VHSXEESVSA-N 1 0 300.200 2.219 10 0 DEAERO C[C@@H]1C[C@@H](N[C@H]2CON(C(=O)OC(C)(C)C)C2)c2nccn21 ZINC000722475599 778731662 /nfs/dbraw/zinc/73/16/62/778731662.db2.gz MKBKHAHIYOIFLI-IJLUTSLNSA-N 1 0 308.382 2.029 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000722571086 778790858 /nfs/dbraw/zinc/79/08/58/778790858.db2.gz QTMHNNZFJJJZSE-SKDRFNHKSA-N 1 0 302.465 2.031 10 0 DEAERO COC[C@H](C[NH2+]Cc1c(Br)cnn1C)C(C)C ZINC000721835208 779344424 /nfs/dbraw/zinc/34/44/24/779344424.db2.gz IJVKKEHAWPINLQ-JTQLQIEISA-N 1 0 304.232 2.191 10 0 DEAERO CO[C@@]1(C[NH2+][C@H](C)c2cccc(Cl)c2)CCS(=O)(=O)C1 ZINC000721261831 781074525 /nfs/dbraw/zinc/07/45/25/781074525.db2.gz SIDDKWWAUAJCFG-BXUZGUMPSA-N 1 0 317.838 2.194 10 0 DEAERO CO[C@]1(C[NH2+]CCC2CCCCCC2)CCS(=O)(=O)C1 ZINC000721228238 784279948 /nfs/dbraw/zinc/27/99/48/784279948.db2.gz HLSANNOAXLNQFK-HNNXBMFYSA-N 1 0 303.468 2.140 10 0 DEAERO O=S(=O)(CCC1CC1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000721867938 787323838 /nfs/dbraw/zinc/32/38/38/787323838.db2.gz VBJLYOBRNOYJLE-CQSZACIVSA-N 1 0 300.468 2.018 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1C ZINC000722567043 787334027 /nfs/dbraw/zinc/33/40/27/787334027.db2.gz KSUHIUKXYKRNCU-RKDXNWHRSA-N 1 0 302.465 2.044 10 0 DEAERO COC[C@]1(C)CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724074660 787348222 /nfs/dbraw/zinc/34/82/22/787348222.db2.gz QJRBRTNELZIKFT-ZJUUUORDSA-N 1 0 305.287 2.293 10 0 DEAERO COC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)CCCCC1 ZINC000724311166 787351201 /nfs/dbraw/zinc/35/12/01/787351201.db2.gz VATGRNNNGZJBQV-AGUYFDCRSA-N 1 0 301.452 2.034 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)CCN1Cc1ccccc1 ZINC000724630156 787352190 /nfs/dbraw/zinc/35/21/90/787352190.db2.gz WYVPKGAUBIKGIK-DBDQLMEASA-N 1 0 316.445 2.043 10 0 DEAERO CC/C=C(/C)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397658883 790209244 /nfs/dbraw/zinc/20/92/44/790209244.db2.gz ZKOHMYYQDJHQHE-APSNUPSMSA-N 1 0 316.445 2.486 10 0 DEAERO C[C@@H](C[NH2+]Cc1cn(C)nc1Br)c1ccccn1 ZINC000712432309 792187565 /nfs/dbraw/zinc/18/75/65/792187565.db2.gz ARBFPQALPHDONO-JTQLQIEISA-N 1 0 309.211 2.471 10 0 DEAERO CCC(CC)[C@@H](O)C[NH2+]Cc1cn(C)nc1Br ZINC000712496866 792190462 /nfs/dbraw/zinc/19/04/62/792190462.db2.gz RTKREQDJUVSYQC-NSHDSACASA-N 1 0 304.232 2.069 10 0 DEAERO Cn1cc(C[NH2+]C[C@@H](O)CC(C)(C)C)c(Br)n1 ZINC000712497546 792190850 /nfs/dbraw/zinc/19/08/50/792190850.db2.gz WSDKLXCURCMHHM-JTQLQIEISA-N 1 0 304.232 2.069 10 0 DEAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712480155 792190944 /nfs/dbraw/zinc/19/09/44/792190944.db2.gz QJBMOFSUPYDRME-WYOJIJJFSA-N 1 0 302.216 2.084 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCN1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000712571855 792201290 /nfs/dbraw/zinc/20/12/90/792201290.db2.gz ZCKVZSVCQSIKAG-SOUVJXGZSA-N 1 0 311.470 2.316 10 0 DEAERO Brc1c[nH]c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)n1 ZINC000713573350 792237069 /nfs/dbraw/zinc/23/70/69/792237069.db2.gz XLLYOLVELCWFJQ-XXILOJSOSA-N 1 0 312.211 2.219 10 0 DEAERO COCC1CC([NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000713977901 792266037 /nfs/dbraw/zinc/26/60/37/792266037.db2.gz MVFZOQLPZDHYNP-AQFXKWCLSA-N 1 0 318.417 2.412 10 0 DEAERO O=S(=O)(N[C@@H]1CCCCC12CC[NH2+]CC2)c1ccsc1 ZINC000714334331 792309045 /nfs/dbraw/zinc/30/90/45/792309045.db2.gz QIEFXLYXSCUBKZ-CYBMUJFWSA-N 1 0 314.476 2.339 10 0 DEAERO [NH3+]CCCCCCC(=O)NCc1ncc(Br)s1 ZINC000714935842 792359438 /nfs/dbraw/zinc/35/94/38/792359438.db2.gz UFSOJDUPLVFPKW-UHFFFAOYSA-N 1 0 320.256 2.431 10 0 DEAERO [NH3+][C@@H]1C[C@H](NCc2ncc(Br)s2)C12CCC2 ZINC000714950557 792374225 /nfs/dbraw/zinc/37/42/25/792374225.db2.gz ISUFYVIJGDBIRW-SFYZADRCSA-N 1 0 302.241 2.265 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)NCc2cccc(Cl)c2Cl)C1(F)F ZINC000715141636 792397205 /nfs/dbraw/zinc/39/72/05/792397205.db2.gz VIDHOCOGCWRDJS-VXNVDRBHSA-N 1 0 309.143 2.450 10 0 DEAERO O=C(NCc1csc(Br)c1)C12CC[NH+](CC1)C2 ZINC000715861090 792527272 /nfs/dbraw/zinc/52/72/72/792527272.db2.gz AJRJICOSCFHIGF-UHFFFAOYSA-N 1 0 315.236 2.223 10 0 DEAERO COc1ccc(F)cc1[C@@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716139460 792554116 /nfs/dbraw/zinc/55/41/16/792554116.db2.gz QUZFCGINPKVZEH-OIKLOGQESA-N 1 0 301.383 2.061 10 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COCC[NH2+]C[C@@H](C)N(C)C(=O)c1cc(F)ccc1Cl ZINC000722039310 1084157692 /nfs/dbraw/zinc/15/76/92/1084157692.db2.gz AYYMCIWNGOCTQK-SNVBAGLBSA-N 1 0 302.777 2.176 10 0 DEAERO COc1cncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000700056115 1086308437 /nfs/dbraw/zinc/30/84/37/1086308437.db2.gz JQDOCQPVCRRZHB-VXGBXAGGSA-N 1 0 309.410 2.482 10 0 DEAERO Cc1sc(C[NH2+]C[C@H]2COCCN2C)cc1Br ZINC000700128566 1086308895 /nfs/dbraw/zinc/30/88/95/1086308895.db2.gz ARMORQFFTJTPQZ-JTQLQIEISA-N 1 0 319.268 2.239 10 0 DEAERO [NH3+]CC1(CCNC(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000700634080 1086323348 /nfs/dbraw/zinc/32/33/48/1086323348.db2.gz BOEPODFTROGFTA-RQOWECAXSA-N 1 0 313.195 2.301 10 0 DEAERO Cc1ncc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)n1C ZINC000700742677 1086333146 /nfs/dbraw/zinc/33/31/46/1086333146.db2.gz NGOKKCUEQLFXOY-RISCZKNCSA-N 1 0 308.426 2.216 10 0 DEAERO C[NH+](C)C1CC(NC(=O)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000701478481 1086366469 /nfs/dbraw/zinc/36/64/69/1086366469.db2.gz ORKQIQWMFARETR-UHFFFAOYSA-N 1 0 302.205 2.398 10 0 DEAERO COC(=O)N(C)CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000701686282 1086376834 /nfs/dbraw/zinc/37/68/34/1086376834.db2.gz DFFUZDLEVOIFTD-UHFFFAOYSA-N 1 0 319.174 2.376 10 0 DEAERO Cc1c[nH]c(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)n1 ZINC000701867422 1086388164 /nfs/dbraw/zinc/38/81/64/1086388164.db2.gz LVMOSYLCVHKBAV-UHFFFAOYSA-N 1 0 306.410 2.207 10 0 DEAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccnn1C ZINC000701864553 1086388703 /nfs/dbraw/zinc/38/87/03/1086388703.db2.gz NZCOQMXAGAUVDD-SFYCDEOASA-N 1 0 320.437 2.470 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@H]1C[C@@H](O)C1(C)C)C2 ZINC000701932240 1086395352 /nfs/dbraw/zinc/39/53/52/1086395352.db2.gz VUPYXGKYJCVWET-XPFWZQFZSA-N 1 0 310.438 2.135 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000702649063 1086450694 /nfs/dbraw/zinc/45/06/94/1086450694.db2.gz IOJGDYOSKXEPAE-KMZNDYGISA-N 1 0 300.811 2.062 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(Cc3ccncc3Br)C[C@]2(C)C1 ZINC000702902726 1086468968 /nfs/dbraw/zinc/46/89/68/1086468968.db2.gz IOHSIQVJPNKHLD-OCCSQVGLSA-N 1 0 310.239 2.228 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)C12CCC2 ZINC000720936388 1086552771 /nfs/dbraw/zinc/55/27/71/1086552771.db2.gz LPVWXVYOQAWOFC-SYQHCUMBSA-N 1 0 310.438 2.183 10 0 DEAERO Brc1ccccc1-c1noc([C@H]2C[NH2+]CCOC2)n1 ZINC000703943944 1086566247 /nfs/dbraw/zinc/56/62/47/1086566247.db2.gz FDTMPKPHJBNRFC-VIFPVBQESA-N 1 0 324.178 2.203 10 0 DEAERO COc1cncc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000704209356 1086574798 /nfs/dbraw/zinc/57/47/98/1086574798.db2.gz UQNLOXKMJTWJPS-LBPRGKRZSA-N 1 0 309.410 2.435 10 0 DEAERO COC[C@H](C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000704491420 1086583366 /nfs/dbraw/zinc/58/33/66/1086583366.db2.gz UUCAXMMKTXUGJV-GOEBONIOSA-N 1 0 306.406 2.270 10 0 DEAERO Cc1nc(-c2noc([C@@H](N)C[N@@H+](C)Cc3ccccc3)n2)co1 ZINC000705253249 1086609732 /nfs/dbraw/zinc/60/97/32/1086609732.db2.gz DPSOBLPVKKSRGS-ZDUSSCGKSA-N 1 0 313.361 2.165 10 0 DEAERO CC(C)(O)C(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705608958 1086619398 /nfs/dbraw/zinc/61/93/98/1086619398.db2.gz ICURRJBVCSMLNT-KDURUIRLSA-N 1 0 316.445 2.128 10 0 DEAERO C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c1cnccn1 ZINC000705927556 1086626468 /nfs/dbraw/zinc/62/64/68/1086626468.db2.gz OPUFJRBWBLJCKO-ZDUSSCGKSA-N 1 0 324.425 2.011 10 0 DEAERO CN(CCOCC[NH2+]Cc1ccns1)C(=O)OC(C)(C)C ZINC000705891652 1086627517 /nfs/dbraw/zinc/62/75/17/1086627517.db2.gz MPACNUQQPOZEMS-UHFFFAOYSA-N 1 0 315.439 2.116 10 0 DEAERO COC(=O)/C(C)=C\CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705895944 1086628264 /nfs/dbraw/zinc/62/82/64/1086628264.db2.gz KBRAMMMMGCLSNO-ZBLDBLJQSA-N 1 0 314.429 2.170 10 0 DEAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)[C@@H]1CCOC1 ZINC000706535207 1086640885 /nfs/dbraw/zinc/64/08/85/1086640885.db2.gz MIBWYPSSYBQFDQ-SMOJQAGNSA-N 1 0 310.438 2.401 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]CC(C)(C)C(C)(C)O)C1 ZINC000710945193 1086691437 /nfs/dbraw/zinc/69/14/37/1086691437.db2.gz HRTDMVSQXGGREW-UHFFFAOYSA-N 1 0 300.443 2.240 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000710947384 1086691743 /nfs/dbraw/zinc/69/17/43/1086691743.db2.gz NYFFRAPUQGLUTG-OLZOCXBDSA-N 1 0 316.442 2.277 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000710948450 1086691787 /nfs/dbraw/zinc/69/17/87/1086691787.db2.gz RZVPWCYBENGNQU-OLZOCXBDSA-N 1 0 314.426 2.031 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000710967523 1086692661 /nfs/dbraw/zinc/69/26/61/1086692661.db2.gz OBGCLPORPAWOIH-KRWDZBQOSA-N 1 0 304.434 2.392 10 0 DEAERO C[C@@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)COCc1ccccc1 ZINC000711250163 1087036074 /nfs/dbraw/zinc/03/60/74/1087036074.db2.gz NOSKXCSWRNHOIJ-HOCLYGCPSA-N 1 0 304.434 2.201 10 0 DEAERO C[C@H](CC[S@](C)=O)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711390933 1087081292 /nfs/dbraw/zinc/08/12/92/1087081292.db2.gz LPIJNDAEAYTDGG-WBSWQSFASA-N 1 0 318.483 2.036 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC000711415757 1087099114 /nfs/dbraw/zinc/09/91/14/1087099114.db2.gz AMQRPUYJGKSYSJ-BEAPCOKYSA-N 1 0 310.438 2.447 10 0 DEAERO Brc1c[nH]c(C[NH2+]C[C@@H]2CCC3(CCC3)O2)n1 ZINC000711484978 1087135427 /nfs/dbraw/zinc/13/54/27/1087135427.db2.gz QBZBKCZBSDRDLD-VIFPVBQESA-N 1 0 300.200 2.364 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cc[nH]n3)CCC[C@@H]12 ZINC000711627502 1087177746 /nfs/dbraw/zinc/17/77/46/1087177746.db2.gz VEJXMRORJVOARR-CZUORRHYSA-N 1 0 306.410 2.431 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC000718807781 1088655073 /nfs/dbraw/zinc/65/50/73/1088655073.db2.gz RAFBXWNGFNADBL-WPRPVWTQSA-N 1 0 308.856 2.242 10 0 DEAERO [NH3+]Cc1nc(Cc2nc(COCc3ccccc3)no2)cs1 ZINC000719052316 1088787584 /nfs/dbraw/zinc/78/75/84/1088787584.db2.gz XQWKKOLBDQNLCG-UHFFFAOYSA-N 1 0 316.386 2.292 10 0 DEAERO C[C@H](COCc1ccccc1)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000719184775 1088892987 /nfs/dbraw/zinc/89/29/87/1088892987.db2.gz ACUAIWPFWKLOQA-AWEZNQCLSA-N 1 0 300.406 2.383 10 0 DEAERO CO[C@@]1(C[NH2+]Cc2nc(C)c(Br)s2)CCOC1 ZINC000719225725 1088910623 /nfs/dbraw/zinc/91/06/23/1088910623.db2.gz YJNFTZKKFCYTIW-LLVKDONJSA-N 1 0 321.240 2.109 10 0 DEAERO COC(=O)c1csc(C[NH2+]C[C@]2(OC)CCSC2)c1 ZINC000719264360 1088914153 /nfs/dbraw/zinc/91/41/53/1088914153.db2.gz AZIBKLQAEGUDCB-CYBMUJFWSA-N 1 0 301.433 2.146 10 0 DEAERO Clc1cnc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)s1 ZINC000719386264 1089054045 /nfs/dbraw/zinc/05/40/45/1089054045.db2.gz RWSVMTUGLMJIPC-UWVGGRQHSA-N 1 0 303.884 2.466 10 0 DEAERO C[C@@H]1[C@@H](NC(=O)c2cccc(Br)c2F)CC[N@@H+]1C ZINC000719388418 1089070622 /nfs/dbraw/zinc/07/06/22/1089070622.db2.gz PUNULPKRVUODET-KCJUWKMLSA-N 1 0 315.186 2.411 10 0 DEAERO C[C@H]1[C@@H](NC(=O)c2cscc2Br)CC[N@@H+]1C ZINC000719399052 1089084940 /nfs/dbraw/zinc/08/49/40/1089084940.db2.gz YNWWZCRNISESIF-XVKPBYJWSA-N 1 0 303.225 2.333 10 0 DEAERO S=C(NC1CCCCC1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720444852 1089939909 /nfs/dbraw/zinc/93/99/09/1089939909.db2.gz AXMQCOWWKUJQBS-KGLIPLIRSA-N 1 0 313.536 2.363 10 0 DEAERO COc1ccc(C[NH3+])cc1CSc1nnc(N(C)C)s1 ZINC000081769298 192323324 /nfs/dbraw/zinc/32/33/24/192323324.db2.gz OXGRRLGDHWDEMF-UHFFFAOYSA-N 1 0 310.448 2.364 10 0 DEAERO Cc1noc(C)c1CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000148229637 282103814 /nfs/dbraw/zinc/10/38/14/282103814.db2.gz TVISKIZFGRYKNU-MRXNPFEDSA-N 1 0 316.405 2.394 10 0 DEAERO CC[NH2+][C@H]1CCOC[C@H]1Sc1nc2cc(OC)ccc2[nH]1 ZINC000081866014 192333138 /nfs/dbraw/zinc/33/31/38/192333138.db2.gz UOMLQDGHYMJAKF-GXTWGEPZSA-N 1 0 307.419 2.431 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1cnccn1)OCCO2 ZINC000081885703 192334060 /nfs/dbraw/zinc/33/40/60/192334060.db2.gz FFRHQGULVYSNPU-OLZOCXBDSA-N 1 0 309.435 2.233 10 0 DEAERO Cc1nc(SC[C@@H]([NH3+])c2ccc3c(c2)OCCCO3)n[nH]1 ZINC000081890304 192334183 /nfs/dbraw/zinc/33/41/83/192334183.db2.gz VGQHZULKQYNNPD-LLVKDONJSA-N 1 0 306.391 2.067 10 0 DEAERO [NH3+][C@@H]1CCC2(C[C@H]1Sc1ccc(Cl)cn1)OCCO2 ZINC000081895994 192335863 /nfs/dbraw/zinc/33/58/63/192335863.db2.gz JKWIMXJFUALNDW-GHMZBOCLSA-N 1 0 300.811 2.450 10 0 DEAERO COc1ccc([C@H]([NH3+])CS(=O)(=O)c2ccccc2F)cc1 ZINC000081922802 192340192 /nfs/dbraw/zinc/34/01/92/192340192.db2.gz ZZVFCUPFZQZKGI-CQSZACIVSA-N 1 0 309.362 2.308 10 0 DEAERO CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCSC1 ZINC000123368387 282130719 /nfs/dbraw/zinc/13/07/19/282130719.db2.gz JMPGMOCHNWCWQE-HOTGVXAUSA-N 1 0 321.490 2.306 10 0 DEAERO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC1=CCCC1 ZINC000152070363 282134028 /nfs/dbraw/zinc/13/40/28/282134028.db2.gz DTLXFDLOFSIWJI-INIZCTEOSA-N 1 0 309.454 2.239 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1S(=O)(=O)c1ccccc1Br ZINC000081932227 192341399 /nfs/dbraw/zinc/34/13/99/192341399.db2.gz ZRJMOIDTZCOAHG-KOLCDFICSA-N 1 0 304.209 2.103 10 0 DEAERO CC[C@H]([NH3+])[C@@H](C)S(=O)(=O)c1ccccc1Br ZINC000081931507 192341427 /nfs/dbraw/zinc/34/14/27/192341427.db2.gz HYTQGPJMFATWTD-SCZZXKLOSA-N 1 0 306.225 2.349 10 0 DEAERO CC[NH2+][C@@H](CC)CS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936080 192342869 /nfs/dbraw/zinc/34/28/69/192342869.db2.gz RRYZPUOCMSZZMO-LBPRGKRZSA-N 1 0 313.419 2.010 10 0 DEAERO CC[NH2+][C@H](CC)CS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936084 192343285 /nfs/dbraw/zinc/34/32/85/192343285.db2.gz RRYZPUOCMSZZMO-GFCCVEGCSA-N 1 0 313.419 2.010 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@]1(C)CCC[C@H]1[NH3+] ZINC000164647255 197660220 /nfs/dbraw/zinc/66/02/20/197660220.db2.gz ZHGFEOONXLVILR-BXKDBHETSA-N 1 0 300.200 2.366 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1S(=O)(=O)CCOC ZINC000081945096 192344975 /nfs/dbraw/zinc/34/49/75/192344975.db2.gz SPQJGNSEIOLHCZ-KFWWJZLASA-N 1 0 305.484 2.241 10 0 DEAERO CNC(=O)c1cc(NC(=O)CC[C@H](C)CC[NH3+])ccc1Cl ZINC000079118151 185159297 /nfs/dbraw/zinc/15/92/97/185159297.db2.gz BJCGKAVWDCMXMR-JTQLQIEISA-N 1 0 311.813 2.403 10 0 DEAERO C[C@@H](CC[NH3+])CCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000079118488 185159442 /nfs/dbraw/zinc/15/94/42/185159442.db2.gz KLKMJXFPYRIGKV-RBSFLKMASA-N 1 0 314.495 2.265 10 0 DEAERO CCCN(CC(=O)OC)C(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079291148 185163661 /nfs/dbraw/zinc/16/36/61/185163661.db2.gz OXOPTRBGKLVCKU-CYBMUJFWSA-N 1 0 300.443 2.189 10 0 DEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)NCCOCC(F)(F)F ZINC000079294540 185163860 /nfs/dbraw/zinc/16/38/60/185163860.db2.gz HDRNAFJTYBJHFA-LLVKDONJSA-N 1 0 312.376 2.473 10 0 DEAERO CCC[C@@H](CC[NH3+])CCC(=O)N(CCCOC)CCOC ZINC000079238903 185162298 /nfs/dbraw/zinc/16/22/98/185162298.db2.gz LPLYBPLVFLMRQU-OAHLLOKOSA-N 1 0 302.459 2.043 10 0 DEAERO CC[NH2+][C@@](C)(CCCSc1ccc(Cl)cn1)C(N)=O ZINC000079448323 185172377 /nfs/dbraw/zinc/17/23/77/185172377.db2.gz RJRBZMDPXJSYOG-ZDUSSCGKSA-N 1 0 301.843 2.461 10 0 DEAERO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(=O)(=O)CCOC ZINC000081961899 192345346 /nfs/dbraw/zinc/34/53/46/192345346.db2.gz PQFPZAQXYZUZSW-GOEBONIOSA-N 1 0 313.463 2.485 10 0 DEAERO CC(C)[NH2+]Cc1sc(CS(C)(=O)=O)nc1C(C)(C)C ZINC000082439815 185182806 /nfs/dbraw/zinc/18/28/06/185182806.db2.gz BJJOAKDNIWISBX-UHFFFAOYSA-N 1 0 304.481 2.483 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000082311404 185174898 /nfs/dbraw/zinc/17/48/98/185174898.db2.gz GFVIOSVOJXYUOL-QGZVFWFLSA-N 1 0 301.434 2.210 10 0 DEAERO Cc1cccc(N2CCN(C(=O)C[C@H]3CCC[N@H+]3C)CC2)c1C ZINC000082314869 185175557 /nfs/dbraw/zinc/17/55/57/185175557.db2.gz URCDSFYTQRMOQV-QGZVFWFLSA-N 1 0 315.461 2.436 10 0 DEAERO CCC[NH2+][C@@H](CO)CSc1ncccc1Br ZINC000082905367 185209459 /nfs/dbraw/zinc/20/94/59/185209459.db2.gz GVBMIAAMVNVELR-VIFPVBQESA-N 1 0 305.241 2.297 10 0 DEAERO C[NH2+][C@@](C)(CO)CCSc1ncccc1Br ZINC000082905359 185209488 /nfs/dbraw/zinc/20/94/88/185209488.db2.gz SFSUFYRWQQZCSV-LLVKDONJSA-N 1 0 305.241 2.297 10 0 DEAERO C[C@@H]1CN(c2ccccc2I)CCC[NH2+]1 ZINC000083092335 185213178 /nfs/dbraw/zinc/21/31/78/185213178.db2.gz QINSDXAVPIXXIE-SNVBAGLBSA-N 1 0 316.186 2.479 10 0 DEAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cnc3ccccn23)cn1 ZINC000328638533 231274696 /nfs/dbraw/zinc/27/46/96/231274696.db2.gz PCTKTQMFIPWBEE-DOTOQJQBSA-N 1 0 311.389 2.078 10 0 DEAERO O=C(C[C@H]1CCCCC(=O)N1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000328681155 231304646 /nfs/dbraw/zinc/30/46/46/231304646.db2.gz UYIDTHSYOOMTHX-HUUCEWRRSA-N 1 0 307.438 2.362 10 0 DEAERO C[C@@H](CCCO)N[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000087359075 185222579 /nfs/dbraw/zinc/22/25/79/185222579.db2.gz QHXZNZJRJOIJFA-IUCAKERBSA-N 1 0 307.257 2.261 10 0 DEAERO CCOCC[C@@H](O)[C@H](C[NH3+])c1ccccc1Br ZINC000087381329 185223061 /nfs/dbraw/zinc/22/30/61/185223061.db2.gz NSQJUHCHAANHFQ-DGCLKSJQSA-N 1 0 302.212 2.279 10 0 DEAERO [NH3+]C[C@H](c1ccccc1Br)[C@H](O)C1CCOCC1 ZINC000087381614 185223233 /nfs/dbraw/zinc/22/32/33/185223233.db2.gz ABJFMPRMDSASLK-TZMCWYRMSA-N 1 0 314.223 2.279 10 0 DEAERO CC(C)[C@H](C[NH3+])NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000087404567 185223812 /nfs/dbraw/zinc/22/38/12/185223812.db2.gz LCLRGNRQCZRRCH-GWJCSSMESA-N 1 0 302.827 2.213 10 0 DEAERO Cc1cc([C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)[nH]n1 ZINC000328704825 231316213 /nfs/dbraw/zinc/31/62/13/231316213.db2.gz YKQOQANOLRQFQT-WBVHZDCISA-N 1 0 316.449 2.299 10 0 DEAERO C[NH2+][C@@H](c1sccc1Br)[C@H]1CN(C)CCO1 ZINC000087570437 185228527 /nfs/dbraw/zinc/22/85/27/185228527.db2.gz OGMYJSWQZUFBHT-NXEZZACHSA-N 1 0 305.241 2.102 10 0 DEAERO COc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173189434 282189009 /nfs/dbraw/zinc/18/90/09/282189009.db2.gz KCKNTWQRPAWTBM-ZFWWWQNUSA-N 1 0 305.422 2.319 10 0 DEAERO CC(C)(CC[NH3+])CCC(=O)Nc1ccccc1S(C)(=O)=O ZINC000087694067 185230567 /nfs/dbraw/zinc/23/05/67/185230567.db2.gz QGXOMBPOPDLZFL-UHFFFAOYSA-N 1 0 312.435 2.184 10 0 DEAERO Cc1nn(C)c(C[C@@H]([NH3+])[C@H]2CCCS2)c1Br ZINC000087711938 185230982 /nfs/dbraw/zinc/23/09/82/185230982.db2.gz GBLDRZAHZRDIDA-PSASIEDQSA-N 1 0 304.257 2.256 10 0 DEAERO [NH3+]Cc1ccc(CS(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000087768751 185231379 /nfs/dbraw/zinc/23/13/79/185231379.db2.gz BEGVAIJAEUUMQX-CVEARBPZSA-N 1 0 308.447 2.240 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)ccc1F ZINC000087768774 185231420 /nfs/dbraw/zinc/23/14/20/185231420.db2.gz SGNXZYZPWCPHBS-NHYWBVRUSA-N 1 0 312.410 2.238 10 0 DEAERO Cc1nc(Sc2ncccc2Br)cc(NN)[nH+]1 ZINC000087894761 185235095 /nfs/dbraw/zinc/23/50/95/185235095.db2.gz IMCKLFRXHZDOLI-UHFFFAOYSA-N 1 0 312.196 2.379 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@]1(C[NH3+])Nc1ccc(Cl)cc1 ZINC000087914285 185237434 /nfs/dbraw/zinc/23/74/34/185237434.db2.gz KSFCWLZBWULAKX-QWHCGFSZSA-N 1 0 302.827 2.047 10 0 DEAERO COC[C@H]([NH3+])C(=O)Nc1ccc(Br)cc1Cl ZINC000088002598 185238051 /nfs/dbraw/zinc/23/80/51/185238051.db2.gz FOGDBALUSLQHNB-QMMMGPOBSA-N 1 0 307.575 2.015 10 0 DEAERO C[C@H]1CN(C(=O)c2cc(Br)cn2C2CC2)CC[NH2+]1 ZINC000088059181 185238143 /nfs/dbraw/zinc/23/81/43/185238143.db2.gz BKSPRVFEIPDSDZ-VIFPVBQESA-N 1 0 312.211 2.019 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3nc(N)sc3c2)C1 ZINC000087847433 185233325 /nfs/dbraw/zinc/23/33/25/185233325.db2.gz HHEGWLSKAZVNRM-NSHDSACASA-N 1 0 304.419 2.093 10 0 DEAERO Cc1ccccc1CNc1nc(NN)[nH+]cc1Br ZINC000087854871 185233645 /nfs/dbraw/zinc/23/36/45/185233645.db2.gz DBCLDJUPUHTFIZ-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO CC(C)C[C@@H](C)N(C)c1nc(NN)[nH+]cc1Br ZINC000087866710 185233943 /nfs/dbraw/zinc/23/39/43/185233943.db2.gz LKHLVHAQYOOJMG-MRVPVSSYSA-N 1 0 302.220 2.396 10 0 DEAERO CC[NH2+][C@H]1CCCc2c(O[C@@H]3CCS(=O)(=O)C3)cccc21 ZINC000088152017 185240721 /nfs/dbraw/zinc/24/07/21/185240721.db2.gz NGGTVZBWEZXEDO-DOMZBBRYSA-N 1 0 309.431 2.239 10 0 DEAERO C[C@@H](C[NH3+])C[S@](=O)Cc1cc(Br)ccc1F ZINC000088089804 185239697 /nfs/dbraw/zinc/23/96/97/185239697.db2.gz HASAOONSLVMPBR-ZKANADHPSA-N 1 0 308.216 2.432 10 0 DEAERO NNc1cc(Oc2cc(F)cc(Br)c2)nc(N)[nH+]1 ZINC000088139426 185240542 /nfs/dbraw/zinc/24/05/42/185240542.db2.gz NBXKSZCUOBUWRY-UHFFFAOYSA-N 1 0 314.118 2.038 10 0 DEAERO [NH3+]CCC1(CS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000088272365 185244302 /nfs/dbraw/zinc/24/43/02/185244302.db2.gz CQFNVSXNGVMKKI-UHFFFAOYSA-N 1 0 318.236 2.352 10 0 DEAERO CCC[NH2+]CC(=O)Nc1cc(OC)ccc1Br ZINC000088321457 185245543 /nfs/dbraw/zinc/24/55/43/185245543.db2.gz TXKBLTYACIIIHZ-UHFFFAOYSA-N 1 0 301.184 2.396 10 0 DEAERO CN(CCc1ccccc1)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000088244172 185243604 /nfs/dbraw/zinc/24/36/04/185243604.db2.gz JALMFVFQGXOPHP-UHFFFAOYSA-N 1 0 324.471 2.113 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[NH2+]CC23CCCCC3)cc1 ZINC000088396231 185248336 /nfs/dbraw/zinc/24/83/36/185248336.db2.gz JYGZVQNFPBSAMX-UHFFFAOYSA-N 1 0 308.447 2.292 10 0 DEAERO CC[NH2+][C@](C)(CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC000088435284 185250363 /nfs/dbraw/zinc/25/03/63/185250363.db2.gz WIGKFVYBLSYTQA-WCQYABFASA-N 1 0 310.360 2.494 10 0 DEAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)Nc2cnc(Br)cn2)C1 ZINC000088446384 185251230 /nfs/dbraw/zinc/25/12/30/185251230.db2.gz VAJOOEOHERGNSX-PELKAZGASA-N 1 0 313.199 2.085 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1ccc(OC)cc1 ZINC000177294591 282203393 /nfs/dbraw/zinc/20/33/93/282203393.db2.gz JIWFYNMVBLAVIX-MRXNPFEDSA-N 1 0 319.449 2.363 10 0 DEAERO CC[NH2+][C@@H](Cc1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000088518992 185254590 /nfs/dbraw/zinc/25/45/90/185254590.db2.gz MMNSVIAJMLMZTC-YPMHNXCESA-N 1 0 324.471 2.252 10 0 DEAERO CCn1ncnc1C[C@H](Cc1cccc(Br)c1)[NH2+]C ZINC000088610796 185259963 /nfs/dbraw/zinc/25/99/63/185259963.db2.gz FHLLNSIVWRGURG-ZDUSSCGKSA-N 1 0 323.238 2.434 10 0 DEAERO CCn1ncnc1C[C@](C)([NH3+])c1ccccc1Br ZINC000088607034 185259976 /nfs/dbraw/zinc/25/99/76/185259976.db2.gz PWIUZFIGVVPZQC-ZDUSSCGKSA-N 1 0 309.211 2.477 10 0 DEAERO C[NH+]1CCC(NC(=O)c2sc3ccc(F)cc3c2N)CC1 ZINC000088640357 185260728 /nfs/dbraw/zinc/26/07/28/185260728.db2.gz PFAVYIGJOUVNIU-UHFFFAOYSA-N 1 0 307.394 2.447 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H]2C)cc(C)c1F ZINC000165758534 197681567 /nfs/dbraw/zinc/68/15/67/197681567.db2.gz RONVSPSGVOJJOQ-JQWIXIFHSA-N 1 0 314.426 2.273 10 0 DEAERO CCOC(=O)[C@H]1C[NH2+]CCN1c1ccccc1C(F)(F)F ZINC000088673402 185262259 /nfs/dbraw/zinc/26/22/59/185262259.db2.gz VUECUOUALGFNCO-GFCCVEGCSA-N 1 0 302.296 2.047 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000081982632 192349618 /nfs/dbraw/zinc/34/96/18/192349618.db2.gz HVJBLQIAEUEZQY-LDYMZIIASA-N 1 0 306.225 2.349 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)Cc1cccc(C)c1 ZINC000081984205 192349625 /nfs/dbraw/zinc/34/96/25/192349625.db2.gz KQIAAIGUNMCLRT-HOTGVXAUSA-N 1 0 311.447 2.067 10 0 DEAERO CC[NH2+][C@H](c1ccccc1)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000081989526 192351304 /nfs/dbraw/zinc/35/13/04/192351304.db2.gz MMRFEZFNCDIPFR-BBRMVZONSA-N 1 0 311.447 2.320 10 0 DEAERO CCC[C@@H](C(=O)NCCOc1ccc(F)cc1F)[NH+](C)C ZINC000179232276 282219658 /nfs/dbraw/zinc/21/96/58/282219658.db2.gz RTLZWLWRXTYXEN-ZDUSSCGKSA-N 1 0 300.349 2.190 10 0 DEAERO CN1CCO[C@@H](C[NH3+])[C@@H]1c1cc(Cl)ccc1Br ZINC000090250735 185288148 /nfs/dbraw/zinc/28/81/48/185288148.db2.gz XSZMFIAPVHMZBN-RYUDHWBXSA-N 1 0 319.630 2.433 10 0 DEAERO O=C1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2Br)N1 ZINC000090251318 185288292 /nfs/dbraw/zinc/28/82/92/185288292.db2.gz SXIQZYGOVCKRJV-JTQLQIEISA-N 1 0 317.614 2.471 10 0 DEAERO Clc1ccc2nsnc2c1-n1cc(C[NH2+]C2CC2)nn1 ZINC000090300316 185290052 /nfs/dbraw/zinc/29/00/52/185290052.db2.gz XCEIUTJMMFJPHY-UHFFFAOYSA-N 1 0 306.782 2.177 10 0 DEAERO CCCN(CC(=O)N[C@H](C)c1ccccc1Cl)C1C[NH2+]C1 ZINC000090293663 185290087 /nfs/dbraw/zinc/29/00/87/185290087.db2.gz OYFIUHCTAHUZGC-GFCCVEGCSA-N 1 0 309.841 2.201 10 0 DEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1cc2c(s1)CCCCC2 ZINC000090312387 185290551 /nfs/dbraw/zinc/29/05/51/185290551.db2.gz RXEUVXXURMTWPK-ZOWXZIJZSA-N 1 0 308.447 2.252 10 0 DEAERO Cc1cc(Br)ccc1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321626 185290871 /nfs/dbraw/zinc/29/08/71/185290871.db2.gz XXAZLYZHNGSFJB-QWRGUYRKSA-N 1 0 309.207 2.049 10 0 DEAERO Cc1cc(Br)ccc1C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321625 185290905 /nfs/dbraw/zinc/29/09/05/185290905.db2.gz XXAZLYZHNGSFJB-GHMZBOCLSA-N 1 0 309.207 2.049 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090332875 185291491 /nfs/dbraw/zinc/29/14/91/185291491.db2.gz PALSXZFNYQQBFK-MBNYWOFBSA-N 1 0 308.809 2.499 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1Cc1noc(-c2ccsc2)n1 ZINC000090337830 185292017 /nfs/dbraw/zinc/29/20/17/185292017.db2.gz ZIDNUZIFMNRZCS-VXGBXAGGSA-N 1 0 304.419 2.228 10 0 DEAERO [NH3+][C@H]1COC[C@H]1c1nc(-c2cc(Br)cs2)no1 ZINC000090364815 185292882 /nfs/dbraw/zinc/29/28/82/185292882.db2.gz ZUDZIDCKPUASMF-RQJHMYQMSA-N 1 0 316.180 2.002 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000090364622 185292897 /nfs/dbraw/zinc/29/28/97/185292897.db2.gz OXVMHKTZXOFAGF-KWQFWETISA-N 1 0 314.172 2.408 10 0 DEAERO C[NH2+][C@H](C[S@@](=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000082000991 192353932 /nfs/dbraw/zinc/35/39/32/192353932.db2.gz UDXAHIFXYZRDNW-SZNDQCEHSA-N 1 0 303.383 2.484 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccccc1Br ZINC000090487820 185298955 /nfs/dbraw/zinc/29/89/55/185298955.db2.gz LIEPEDKUDDQSAL-BXKDBHETSA-N 1 0 313.195 2.012 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000090489892 185299083 /nfs/dbraw/zinc/29/90/83/185299083.db2.gz IJUATEWNCQAGNM-BXUZGUMPSA-N 1 0 314.788 2.062 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000090431481 185295853 /nfs/dbraw/zinc/29/58/53/185295853.db2.gz NEPZJJLRRDBYFM-WPRPVWTQSA-N 1 0 311.794 2.123 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000090432780 185296002 /nfs/dbraw/zinc/29/60/02/185296002.db2.gz AWJLRBYTGJTIIV-UMVBOHGHSA-N 1 0 308.447 2.330 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000090437619 185296111 /nfs/dbraw/zinc/29/61/11/185296111.db2.gz QDLQYSWVAPQGDF-LDYMZIIASA-N 1 0 306.259 2.017 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1CN(C)Cc1ccccc1Br ZINC000090438778 185296613 /nfs/dbraw/zinc/29/66/13/185296613.db2.gz HDSVWQMJSWERLD-JSGCOSHPSA-N 1 0 313.239 2.115 10 0 DEAERO [NH3+][C@H](C[S@@](=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000082003194 192353870 /nfs/dbraw/zinc/35/38/70/192353870.db2.gz PSBLMGVTILAOBQ-ASSNKEHSSA-N 1 0 307.346 2.362 10 0 DEAERO C[C@]1(C(=O)N2CCC[C@@H]2c2ccccc2Cl)COC[C@H]1[NH3+] ZINC000090593808 185305891 /nfs/dbraw/zinc/30/58/91/185305891.db2.gz SLVCWBYRXSLDJQ-FMKPAKJESA-N 1 0 308.809 2.367 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cccc(Cl)c1F ZINC000090539635 185301710 /nfs/dbraw/zinc/30/17/10/185301710.db2.gz WJJFLTDXFNXHME-BXKDBHETSA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(F)c(F)cc1F ZINC000090544841 185302017 /nfs/dbraw/zinc/30/20/17/185302017.db2.gz COLSQPYFAOHXDV-AMIZOPFISA-N 1 0 302.296 2.057 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000090544857 185302032 /nfs/dbraw/zinc/30/20/32/185302032.db2.gz IOWKCKSYLSOFIY-SKDRFNHKSA-N 1 0 302.296 2.057 10 0 DEAERO C[C@@]1(c2nnc3c(Cl)cc(C(F)(F)F)cn32)COC[C@@H]1[NH3+] ZINC000090573053 185304294 /nfs/dbraw/zinc/30/42/94/185304294.db2.gz SXZCFRIPFSVOCX-GZMMTYOYSA-N 1 0 320.702 2.017 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H](COCc2ccc(Br)s2)O1 ZINC000166711135 197696626 /nfs/dbraw/zinc/69/66/26/197696626.db2.gz NRFUTTDTTKWRGT-RKDXNWHRSA-N 1 0 306.225 2.404 10 0 DEAERO O=C(N1CCCSC[C@H]1C[NH+]1CCCCC1)C(F)(F)F ZINC000090701668 185310370 /nfs/dbraw/zinc/31/03/70/185310370.db2.gz DONQMCAHUDXZHQ-LLVKDONJSA-N 1 0 310.385 2.369 10 0 DEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1c(F)cccc1F ZINC000090699864 185310701 /nfs/dbraw/zinc/31/07/01/185310701.db2.gz USDOWVJHASMWLF-LLVKDONJSA-N 1 0 314.401 2.474 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@H]1COc1ncncc1Br ZINC000090782514 185311832 /nfs/dbraw/zinc/31/18/32/185311832.db2.gz MEXIKXJFQZDCFS-UWVGGRQHSA-N 1 0 300.200 2.383 10 0 DEAERO COC(C[C@@H](C[NH3+])Nc1ccccc1Br)OC ZINC000090625442 185307214 /nfs/dbraw/zinc/30/72/14/185307214.db2.gz MVNYPSVNABFXEZ-VIFPVBQESA-N 1 0 303.200 2.197 10 0 DEAERO O=c1c(NCC[C@@H]2CCC[NH2+]2)c(Cl)cnn1CC1CCC1 ZINC000166866367 197699512 /nfs/dbraw/zinc/69/95/12/197699512.db2.gz FGKNBUKUMOARIP-LBPRGKRZSA-N 1 0 310.829 2.251 10 0 DEAERO Cc1cc(NS(=O)(=O)c2ccc(CC(N)=S)cc2)cc[nH+]1 ZINC000092350176 185313575 /nfs/dbraw/zinc/31/35/75/185313575.db2.gz PWMDMPPJSFWZSF-UHFFFAOYSA-N 1 0 321.427 2.019 10 0 DEAERO CCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]CC ZINC000092388646 185315089 /nfs/dbraw/zinc/31/50/89/185315089.db2.gz DRXFUXLGDNWOAE-CVEARBPZSA-N 1 0 311.447 2.485 10 0 DEAERO CC(C)c1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc(=O)[nH]1 ZINC000181375769 199286654 /nfs/dbraw/zinc/28/66/54/199286654.db2.gz FJWKWXQSOLZGGF-GXTWGEPZSA-N 1 0 303.406 2.219 10 0 DEAERO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)c1ccccc1 ZINC000262037219 282248485 /nfs/dbraw/zinc/24/84/85/282248485.db2.gz YCAYPXKMGYJQPX-AKHDSKFASA-N 1 0 317.477 2.036 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc2sccc2c(N)n1 ZINC000092669432 185332938 /nfs/dbraw/zinc/33/29/38/185332938.db2.gz JKMJHRRLWNOBJT-LLVKDONJSA-N 1 0 305.451 2.190 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1nc(NC)ccc1Cl ZINC000092674442 185333152 /nfs/dbraw/zinc/33/31/52/185333152.db2.gz RXUKQSJWXZOGIT-LLVKDONJSA-N 1 0 310.829 2.333 10 0 DEAERO Cc1c(C[NH3+])cccc1S(=O)(=O)NCC1C(C)(C)C1(C)C ZINC000092833137 185345044 /nfs/dbraw/zinc/34/50/44/185345044.db2.gz OETLXUVLJPBVLO-UHFFFAOYSA-N 1 0 310.463 2.414 10 0 DEAERO CCC[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)C(C)C ZINC000092859272 185346846 /nfs/dbraw/zinc/34/68/46/185346846.db2.gz WKLOPLVLCSVFEL-HOTGVXAUSA-N 1 0 311.447 2.484 10 0 DEAERO [NH3+][C@@H]1CCCO[C@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000092888733 185348025 /nfs/dbraw/zinc/34/80/25/185348025.db2.gz APIKHXHQYSTUTI-PWSUYJOCSA-N 1 0 314.179 2.399 10 0 DEAERO CC(C)[C@@]1(C)C[NH2+]C[C@]2(CCS(=O)(=O)c3ccccc32)O1 ZINC000168261819 197720056 /nfs/dbraw/zinc/72/00/56/197720056.db2.gz UGPNPYVBCBPASX-CVEARBPZSA-N 1 0 309.431 2.094 10 0 DEAERO [NH3+]CCc1ccc(OCc2ccc(Br)cn2)cn1 ZINC000168329713 197720588 /nfs/dbraw/zinc/72/05/88/197720588.db2.gz CFOWZQYWARIONF-UHFFFAOYSA-N 1 0 308.179 2.319 10 0 DEAERO COCc1ccsc1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000181422209 199295226 /nfs/dbraw/zinc/29/52/26/199295226.db2.gz MFONMYBCPZBADE-UHFFFAOYSA-N 1 0 306.387 2.484 10 0 DEAERO CCC(CC)[C@H](O)CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000124251717 282279183 /nfs/dbraw/zinc/27/91/83/282279183.db2.gz TUHNZLAWQVWIOY-HZPDHXFCSA-N 1 0 313.486 2.203 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(Br)s1 ZINC000070680158 539345254 /nfs/dbraw/zinc/34/52/54/539345254.db2.gz MKHNRKMORWDBDX-SFYZADRCSA-N 1 0 303.225 2.440 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2cccc(Br)c2F)CCC1=O ZINC000294927622 529821342 /nfs/dbraw/zinc/82/13/42/529821342.db2.gz BACBQSSTVSBDLO-JTQLQIEISA-N 1 0 315.186 2.299 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CCCO1 ZINC000074019557 539351990 /nfs/dbraw/zinc/35/19/90/539351990.db2.gz OEQWMYJPGCMHCU-KRWDZBQOSA-N 1 0 317.433 2.261 10 0 DEAERO C[N@H+](CCCNC(=O)NCC1(CCO)CC1)C1CCCCC1 ZINC000190212631 529890094 /nfs/dbraw/zinc/89/00/94/529890094.db2.gz SICXCHHIUYVWQP-UHFFFAOYSA-N 1 0 311.470 2.103 10 0 DEAERO CCCOc1ccc([C@@H]2NN=C3CC[NH2+]C[C@@H]32)cc1OCC ZINC000169966918 197762390 /nfs/dbraw/zinc/76/23/90/197762390.db2.gz SOZAWEIQIFETRF-GUYCJALGSA-N 1 0 303.406 2.484 10 0 DEAERO Cn1cc(C[NH2+]CC2(C)OCCCO2)c(-c2ccccc2)n1 ZINC000192247948 282340269 /nfs/dbraw/zinc/34/02/69/282340269.db2.gz ANJJGPXWBRJTFP-UHFFFAOYSA-N 1 0 301.390 2.330 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC(=O)OC(C)(C)C ZINC000192345760 282343078 /nfs/dbraw/zinc/34/30/78/282343078.db2.gz HIOISODOGGYGDK-CQSZACIVSA-N 1 0 312.454 2.345 10 0 DEAERO C[N@H+](Cc1cnc2ccc(Br)cn12)CC1(CO)CC1 ZINC000188955213 530015964 /nfs/dbraw/zinc/01/59/64/530015964.db2.gz CCEWKVIWVORTBH-UHFFFAOYSA-N 1 0 324.222 2.301 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193818945 282358159 /nfs/dbraw/zinc/35/81/59/282358159.db2.gz XBJKCJPREMYKKK-SZMVWBNQSA-N 1 0 316.445 2.440 10 0 DEAERO CN(C)c1ncccc1CNC(=O)c1cc(-c2ccncc2)on1 ZINC000193830238 282358648 /nfs/dbraw/zinc/35/86/48/282358648.db2.gz YSQCWQBYQHERAI-UHFFFAOYSA-N 1 0 323.356 2.128 10 0 DEAERO C[C@@H]1C[NH+](CCCNC(=O)c2scnc2C2CC2)C[C@@H](C)O1 ZINC000089658636 539412287 /nfs/dbraw/zinc/41/22/87/539412287.db2.gz ZWJVZKHNUSXAGI-VXGBXAGGSA-N 1 0 323.462 2.250 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089745127 539413013 /nfs/dbraw/zinc/41/30/13/539413013.db2.gz XFEDSRJFDMKEOQ-SECBINFHSA-N 1 0 301.184 2.000 10 0 DEAERO O=C(CC1CCCC1)NC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000181696307 199340053 /nfs/dbraw/zinc/34/00/53/199340053.db2.gz VPCYFJUAPQVKQV-ZDUSSCGKSA-N 1 0 322.371 2.071 10 0 DEAERO CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000245407712 282385598 /nfs/dbraw/zinc/38/55/98/282385598.db2.gz CMILKCKWHBIZKQ-IAQYHMDHSA-N 1 0 307.369 2.054 10 0 DEAERO COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000245452578 282389474 /nfs/dbraw/zinc/38/94/74/282389474.db2.gz DRBPXTJZDFDKSM-ZNMIVQPWSA-N 1 0 312.454 2.058 10 0 DEAERO Clc1ccc([C@@H](C[NH2+][C@@H]2CCCOC2)N2CCOCC2)cc1 ZINC000119803307 539448096 /nfs/dbraw/zinc/44/80/96/539448096.db2.gz TVBQWIOSCZCSEE-IAGOWNOFSA-N 1 0 324.852 2.482 10 0 DEAERO CC[C@H](C)CS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245496994 282391983 /nfs/dbraw/zinc/39/19/83/282391983.db2.gz SODSJGFNQKDIBY-ZNMIVQPWSA-N 1 0 302.484 2.309 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000245511154 282394239 /nfs/dbraw/zinc/39/42/39/282394239.db2.gz XQHABBHFPDSIIJ-QMHWVQJVSA-N 1 0 311.470 2.314 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)N[C@]2(C[NH3+])CCC[C@H](C)C2)c1 ZINC000111373869 185590106 /nfs/dbraw/zinc/59/01/06/185590106.db2.gz WJLWVSJUHRQZJC-XJKSGUPXSA-N 1 0 310.463 2.489 10 0 DEAERO CC(=O)N1CCC[C@H](c2nc(-c3ccn4c[nH+]cc4c3)no2)C1 ZINC000279608851 215002222 /nfs/dbraw/zinc/00/22/22/215002222.db2.gz RTENOZDFGMYGOZ-ZDUSSCGKSA-N 1 0 311.345 2.110 10 0 DEAERO CCC[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000111719477 185630843 /nfs/dbraw/zinc/63/08/43/185630843.db2.gz ZKFGKUFVCXCUEG-CYBMUJFWSA-N 1 0 316.492 2.457 10 0 DEAERO CN(Cc1cccc(C[NH3+])c1)c1ncc(Br)cn1 ZINC000111750818 185633158 /nfs/dbraw/zinc/63/31/58/185633158.db2.gz GWPUFGICUCMORM-UHFFFAOYSA-N 1 0 307.195 2.334 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C)s1 ZINC000170736988 197813588 /nfs/dbraw/zinc/81/35/88/197813588.db2.gz ZTOWCOWKJXPFNQ-CYBMUJFWSA-N 1 0 314.476 2.224 10 0 DEAERO Cc1ccc(OC[C@H](O)C[N@H+](C)CCc2nccs2)cc1 ZINC000157964907 539574911 /nfs/dbraw/zinc/57/49/11/539574911.db2.gz CWRLSHABXPNMIS-CQSZACIVSA-N 1 0 306.431 2.366 10 0 DEAERO CCC[C@@H](C(=O)Nc1cccc(CN2CCOCC2)c1)[NH+](C)C ZINC000161759351 539593204 /nfs/dbraw/zinc/59/32/04/539593204.db2.gz WHUZYDRQOPIQNN-KRWDZBQOSA-N 1 0 319.449 2.188 10 0 DEAERO CCC[C@H](C(=O)Nc1cccc(CN2CCOCC2)c1)[NH+](C)C ZINC000161759455 539593352 /nfs/dbraw/zinc/59/33/52/539593352.db2.gz WHUZYDRQOPIQNN-QGZVFWFLSA-N 1 0 319.449 2.188 10 0 DEAERO CCN1CCO[C@H](C[NH2+]Cc2sccc2Br)C1 ZINC000083552795 192371874 /nfs/dbraw/zinc/37/18/74/192371874.db2.gz OFZYIASEGQYXGF-SNVBAGLBSA-N 1 0 319.268 2.321 10 0 DEAERO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1noc2c1CCCC2 ZINC000162191382 539596431 /nfs/dbraw/zinc/59/64/31/539596431.db2.gz WYGNFSONPBKDSM-UHFFFAOYSA-N 1 0 320.481 2.011 10 0 DEAERO Cc1nn(C)c(C[C@@H](F)C2CC[NH2+]CC2)c1Br ZINC000126684894 185884707 /nfs/dbraw/zinc/88/47/07/185884707.db2.gz JOZNVUIDRUQJRS-SNVBAGLBSA-N 1 0 304.207 2.371 10 0 DEAERO CC[NH2+][C@H](c1ccc(OC)cc1OC)C(C)(C)S(C)(=O)=O ZINC000070128816 190860636 /nfs/dbraw/zinc/86/06/36/190860636.db2.gz GBRPOYWOMLRUIQ-CQSZACIVSA-N 1 0 315.435 2.178 10 0 DEAERO C[NH2+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000070192349 190869876 /nfs/dbraw/zinc/86/98/76/190869876.db2.gz OZMRJTDJTOOQAS-HNNXBMFYSA-N 1 0 310.463 2.456 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)cnc1OC ZINC000182005418 199373823 /nfs/dbraw/zinc/37/38/23/199373823.db2.gz AIJPZVZJOCPKDI-ZIAGYGMSSA-N 1 0 318.421 2.489 10 0 DEAERO CC(C)N1C(=O)C[C@@H]([NH3+])[C@@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000070293676 190878453 /nfs/dbraw/zinc/87/84/53/190878453.db2.gz CSSNRJCUTFDGFU-RISCZKNCSA-N 1 0 310.781 2.120 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cnn3c2CCCC3)C1 ZINC000126966291 185907881 /nfs/dbraw/zinc/90/78/81/185907881.db2.gz YXVLEUASNYXQSD-HUUCEWRRSA-N 1 0 318.465 2.317 10 0 DEAERO COc1ccc(-c2ccc(N3CCC[C@H]([NH3+])C3)nn2)cc1OC ZINC000070458941 190897809 /nfs/dbraw/zinc/89/78/09/190897809.db2.gz XYKIAIUSGGYWLA-ZDUSSCGKSA-N 1 0 314.389 2.088 10 0 DEAERO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCn2ccnc21 ZINC000080499523 192162886 /nfs/dbraw/zinc/16/28/86/192162886.db2.gz CSMLKLUWLVBGLL-OAHLLOKOSA-N 1 0 304.438 2.143 10 0 DEAERO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCn1ccnn1 ZINC000130066751 185933300 /nfs/dbraw/zinc/93/33/00/185933300.db2.gz SCBYRTZKEOKAPS-KGLIPLIRSA-N 1 0 323.441 2.046 10 0 DEAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189032336 539686425 /nfs/dbraw/zinc/68/64/25/539686425.db2.gz VDRCIUIPZDBRGH-BZNIZROVSA-N 1 0 316.380 2.309 10 0 DEAERO Cc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccn1C ZINC000192547814 539707975 /nfs/dbraw/zinc/70/79/75/539707975.db2.gz OJVBFBVKBKVLJE-YOEHRIQHSA-N 1 0 301.434 2.422 10 0 DEAERO C[NH2+][C@@H](Cc1sccc1Br)[C@@H]1COCCO1 ZINC000083743260 192380419 /nfs/dbraw/zinc/38/04/19/192380419.db2.gz HRANBUSOZMZGJA-UWVGGRQHSA-N 1 0 306.225 2.057 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cccc(OC)c2F)C[C@@H]1C ZINC000192950846 539710565 /nfs/dbraw/zinc/71/05/65/539710565.db2.gz ZRQXECHEMHCANS-AWEZNQCLSA-N 1 0 310.413 2.377 10 0 DEAERO Cc1ccc(CNC(=O)[C@H](C)N2CCC([NH+](C)C)CC2)cc1 ZINC000193816139 539715414 /nfs/dbraw/zinc/71/54/14/539715414.db2.gz ZPYPRQUHLZOMAW-HNNXBMFYSA-N 1 0 303.450 2.026 10 0 DEAERO C[C@@H](O)[C@](C)(C[NH3+])Cc1ccc(I)cc1 ZINC000083851920 192388356 /nfs/dbraw/zinc/38/83/56/192388356.db2.gz FJQIIAMFCAWHAU-SKDRFNHKSA-N 1 0 319.186 2.180 10 0 DEAERO C[NH2+][C@@H](COC)Cc1ccc(I)cc1 ZINC000083850785 192386578 /nfs/dbraw/zinc/38/65/78/192386578.db2.gz KTQCWHKQKRMNMH-LLVKDONJSA-N 1 0 305.159 2.068 10 0 DEAERO COCC[C@@H]([NH3+])Cc1ccc(I)cc1 ZINC000083850773 192386663 /nfs/dbraw/zinc/38/66/63/192386663.db2.gz JXYAAHBRQQZGQW-LLVKDONJSA-N 1 0 305.159 2.198 10 0 DEAERO CC[NH2+]CCN(C)Cc1ccc(I)cc1 ZINC000083849758 192386964 /nfs/dbraw/zinc/38/69/64/192386964.db2.gz YBMQVVHYNROVIX-UHFFFAOYSA-N 1 0 318.202 2.333 10 0 DEAERO COCC[NH2+]CCC[S@@](=O)c1ccc(Br)cc1 ZINC000084031820 192396457 /nfs/dbraw/zinc/39/64/57/192396457.db2.gz YVBGWBQSLTZQFT-KRWDZBQOSA-N 1 0 320.252 2.183 10 0 DEAERO COCC[NH2+]CCC[S@](=O)c1ccccc1Br ZINC000084033040 192396701 /nfs/dbraw/zinc/39/67/01/192396701.db2.gz WVXRWYCTYSWKAF-QGZVFWFLSA-N 1 0 320.252 2.183 10 0 DEAERO CCOC[C@@H]([NH3+])Cc1ccc(I)cc1 ZINC000084063966 192399731 /nfs/dbraw/zinc/39/97/31/192399731.db2.gz KRINNBJCVAWIMB-NSHDSACASA-N 1 0 305.159 2.198 10 0 DEAERO CC(C)(CNC(=O)C1C[NH2+]C1)c1cccc(Br)c1 ZINC000258620556 535095693 /nfs/dbraw/zinc/09/56/93/535095693.db2.gz BVXOSSBQRVZNRZ-UHFFFAOYSA-N 1 0 311.223 2.062 10 0 DEAERO COC(=O)C[C@@H](NC(=O)CC1([NH3+])CCCC1)c1cccs1 ZINC000084167647 192408535 /nfs/dbraw/zinc/40/85/35/192408535.db2.gz HOACTZNRZKEXBT-LLVKDONJSA-N 1 0 310.419 2.130 10 0 DEAERO C[C@H]([NH3+])c1nc(CC(=O)N2CCc3ccccc3C2)cs1 ZINC000071695419 191008152 /nfs/dbraw/zinc/00/81/52/191008152.db2.gz BRNUNASKWYVJDR-NSHDSACASA-N 1 0 301.415 2.290 10 0 DEAERO C[C@H](c1cccnc1)N1CCN(C(=O)c2ccccc2C[NH3+])CC1 ZINC000071700475 191009691 /nfs/dbraw/zinc/00/96/91/191009691.db2.gz GSZPFCFMEDKIRN-OAHLLOKOSA-N 1 0 324.428 2.059 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1sccc1C)N1CC[C@H](NC(=O)OC)C1 ZINC000133628089 186001321 /nfs/dbraw/zinc/00/13/21/186001321.db2.gz VQMRDIVSLBQQKI-RWMBFGLXSA-N 1 0 311.451 2.265 10 0 DEAERO COCCn1c(C[NH3+])nnc1-c1c(Cl)cccc1Cl ZINC000133775119 186011158 /nfs/dbraw/zinc/01/11/58/186011158.db2.gz KADMERGWDMKMLN-UHFFFAOYSA-N 1 0 301.177 2.357 10 0 DEAERO CCc1nc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cs1 ZINC000139495630 186022713 /nfs/dbraw/zinc/02/27/13/186022713.db2.gz WRVCDWWUUIJGNT-JSGCOSHPSA-N 1 0 322.478 2.331 10 0 DEAERO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1nc2ccccc2[nH]1 ZINC000139812327 186024071 /nfs/dbraw/zinc/02/40/71/186024071.db2.gz KTZZONGPCUHEMS-NEPJUHHUSA-N 1 0 301.394 2.017 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(-c2ncccc2Br)no1 ZINC000139867061 186024770 /nfs/dbraw/zinc/02/47/70/186024770.db2.gz WVAXXZXJISNXMU-SFYZADRCSA-N 1 0 309.167 2.217 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN1C(=O)C2(CC2)N[C@H]1c1cccs1 ZINC000140309217 186026041 /nfs/dbraw/zinc/02/60/41/186026041.db2.gz APWOKNWNNWPVEB-TZMCWYRMSA-N 1 0 305.447 2.195 10 0 DEAERO C[NH2+][C@H](Cc1ccc(F)cc1Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000142252333 186032114 /nfs/dbraw/zinc/03/21/14/186032114.db2.gz CPZVIXFICCUFRA-MFKMUULPSA-N 1 0 319.829 2.434 10 0 DEAERO CN(C1CCC([NH3+])CC1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147733873 186041342 /nfs/dbraw/zinc/04/13/42/186041342.db2.gz HXNDIJITFTYKML-SSDMNJCBSA-N 1 0 308.447 2.107 10 0 DEAERO C[N@H+](CCN1CC(=O)N[C@@H]2CCCC[C@@H]21)Cc1ccc(F)cc1 ZINC000248540549 539774254 /nfs/dbraw/zinc/77/42/54/539774254.db2.gz BGYTUROCQLDYNR-SJORKVTESA-N 1 0 319.424 2.001 10 0 DEAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)NCCCCC(C)C ZINC000147915806 186042768 /nfs/dbraw/zinc/04/27/68/186042768.db2.gz HVFRLUMBKCYQTF-OAHLLOKOSA-N 1 0 319.515 2.111 10 0 DEAERO CCC[NH2+]Cc1cccc(S(=O)(=O)NCC(F)F)c1C ZINC000148183193 186044020 /nfs/dbraw/zinc/04/40/20/186044020.db2.gz NHBUVMYEGUCXBX-UHFFFAOYSA-N 1 0 306.378 2.038 10 0 DEAERO Cc1cccc(C)c1OC[C@@H](O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000145740074 186037722 /nfs/dbraw/zinc/03/77/22/186037722.db2.gz NCDMKDYAWVIQMF-SFHVURJKSA-N 1 0 318.461 2.213 10 0 DEAERO CC[NH2+]C[C@H](Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000149007414 186047362 /nfs/dbraw/zinc/04/73/62/186047362.db2.gz OCIKVHPIGVVDFN-OLZOCXBDSA-N 1 0 317.401 2.168 10 0 DEAERO CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000149314785 186049170 /nfs/dbraw/zinc/04/91/70/186049170.db2.gz SPGHTVXZTKRPAK-GDBMZVCRSA-N 1 0 310.463 2.194 10 0 DEAERO COc1ccc(C[C@](O)(C[NH3+])C2CC2)cc1Br ZINC000150133038 186054569 /nfs/dbraw/zinc/05/45/69/186054569.db2.gz XZIYGWJGQVNLTC-ZDUSSCGKSA-N 1 0 300.196 2.100 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000171163802 197890810 /nfs/dbraw/zinc/89/08/10/197890810.db2.gz FVDPVWDQWLALKA-ZDUSSCGKSA-N 1 0 316.409 2.119 10 0 DEAERO CC[NH2+]Cc1ccc(Sc2nnnn2C)c(C(F)(F)F)c1 ZINC000163969403 186144266 /nfs/dbraw/zinc/14/42/66/186144266.db2.gz QHGPDOIVRDWIAG-UHFFFAOYSA-N 1 0 317.340 2.490 10 0 DEAERO CCCCN(CC(N)=O)c1ccc(C(F)(F)F)c(C[NH3+])c1 ZINC000163983834 186144920 /nfs/dbraw/zinc/14/49/20/186144920.db2.gz DNRZYACPFCIOAS-UHFFFAOYSA-N 1 0 303.328 2.256 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000164106576 186148844 /nfs/dbraw/zinc/14/88/44/186148844.db2.gz KWRUSJVOPQXVRX-GFCCVEGCSA-N 1 0 322.206 2.418 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000164135458 186150152 /nfs/dbraw/zinc/15/01/52/186150152.db2.gz LJIJUGNQBBDCNE-LSDHHAIUSA-N 1 0 317.433 2.425 10 0 DEAERO CCS(=O)(=O)CCn1cc(CC[NH3+])c2ccc(Cl)cc21 ZINC000164139136 186150201 /nfs/dbraw/zinc/15/02/01/186150201.db2.gz QORQIUSIMSDHRQ-UHFFFAOYSA-N 1 0 314.838 2.231 10 0 DEAERO COCCn1ncc(Cl)c1C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000164225537 186152825 /nfs/dbraw/zinc/15/28/25/186152825.db2.gz BZWILJQIFDLDJI-LBPRGKRZSA-N 1 0 307.781 2.108 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000164286398 186154733 /nfs/dbraw/zinc/15/47/33/186154733.db2.gz CNYKPNCJCMQIPN-SECBINFHSA-N 1 0 312.211 2.238 10 0 DEAERO CC[C@@H]([NH3+])Cc1ccc(N2CCS(=O)CC2)c(Cl)c1 ZINC000164354331 186156510 /nfs/dbraw/zinc/15/65/10/186156510.db2.gz NEITVGBZVVMNTI-GFCCVEGCSA-N 1 0 300.855 2.189 10 0 DEAERO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2C(N)=S)C1 ZINC000164355576 186156746 /nfs/dbraw/zinc/15/67/46/186156746.db2.gz XEOSGKGBLYMOOY-VXGBXAGGSA-N 1 0 305.447 2.380 10 0 DEAERO CCC[NH2+]Cc1nnnn1-c1cc(C)ccc1Br ZINC000164341789 186156750 /nfs/dbraw/zinc/15/67/50/186156750.db2.gz OHJYKJBXOKYNEA-UHFFFAOYSA-N 1 0 310.199 2.233 10 0 DEAERO CS(=O)(=O)CCSc1ccc(C(F)(F)F)c(C[NH3+])c1 ZINC000164352157 186157068 /nfs/dbraw/zinc/15/70/68/186157068.db2.gz CYNROMPUAFYKPE-UHFFFAOYSA-N 1 0 313.366 2.301 10 0 DEAERO CC(C)NC(=O)CC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000177867173 186195599 /nfs/dbraw/zinc/19/55/99/186195599.db2.gz PNDRJKIOIMFKCM-CQSZACIVSA-N 1 0 317.433 2.379 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000191838773 186262079 /nfs/dbraw/zinc/26/20/79/186262079.db2.gz VFKPBQWQYRRGFU-SWLSCSKDSA-N 1 0 308.397 2.319 10 0 DEAERO CC1(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)OCCCO1 ZINC000192249186 535150932 /nfs/dbraw/zinc/15/09/32/535150932.db2.gz KENRXQHOALLIPY-UHFFFAOYSA-N 1 0 305.353 2.459 10 0 DEAERO c1ccc(CN2CCSC[C@@H]2C[NH2+][C@@H]2CCCOC2)cc1 ZINC000277070172 539806646 /nfs/dbraw/zinc/80/66/46/539806646.db2.gz IUNUSHLPPWTQNY-SJORKVTESA-N 1 0 306.475 2.373 10 0 DEAERO COc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1 ZINC000171886148 198001155 /nfs/dbraw/zinc/00/11/55/198001155.db2.gz ZDUVMKHHQLPHAD-ZDUSSCGKSA-N 1 0 305.378 2.016 10 0 DEAERO CCCCc1nnc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000171886653 198001223 /nfs/dbraw/zinc/00/12/23/198001223.db2.gz XYZYLMKSWYBPGR-NSHDSACASA-N 1 0 309.439 2.193 10 0 DEAERO COc1ccc(F)cc1[C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901774 198005329 /nfs/dbraw/zinc/00/53/29/198005329.db2.gz KTQGKJOAIFYJED-GXTWGEPZSA-N 1 0 321.396 2.385 10 0 DEAERO COc1ccc2c(CC(=O)N3CC[C@H](C[NH+](C)C)C3)coc2c1 ZINC000172169318 198051536 /nfs/dbraw/zinc/05/15/36/198051536.db2.gz ILKVVGKYUYTVTF-CYBMUJFWSA-N 1 0 316.401 2.394 10 0 DEAERO CCN(C(=O)c1occc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000617553342 363181626 /nfs/dbraw/zinc/18/16/26/363181626.db2.gz GLCWDSUAUMDVTF-SECBINFHSA-N 1 0 301.184 2.208 10 0 DEAERO CCN(C(=O)c1cc(F)c(F)c(F)c1F)[C@H]1CC[N@H+](C)C1 ZINC000617559121 363186848 /nfs/dbraw/zinc/18/68/48/363186848.db2.gz TZDWHKNVORYWKO-QMMMGPOBSA-N 1 0 304.287 2.409 10 0 DEAERO O=C(NCCC[NH+]1CCCC1)c1cnc(-c2ccncc2)s1 ZINC000172823968 198154350 /nfs/dbraw/zinc/15/43/50/198154350.db2.gz DSXDFGSWELBRKQ-UHFFFAOYSA-N 1 0 316.430 2.421 10 0 DEAERO Cc1nc(C)c(Br)c(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)n1 ZINC000322942532 539903224 /nfs/dbraw/zinc/90/32/24/539903224.db2.gz IEJYATQBRWEXOT-KCJUWKMLSA-N 1 0 313.243 2.242 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2CCC23CCC3)CC(=O)N1C ZINC000328655872 539909269 /nfs/dbraw/zinc/90/92/69/539909269.db2.gz NFKHCTICBOOHJF-JKIFEVAISA-N 1 0 316.449 2.231 10 0 DEAERO C[C@H](NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000333283006 539954487 /nfs/dbraw/zinc/95/44/87/539954487.db2.gz MUIAMGOOQOOICG-GXTWGEPZSA-N 1 0 304.438 2.196 10 0 DEAERO C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccc(F)cc1 ZINC000173275805 198205826 /nfs/dbraw/zinc/20/58/26/198205826.db2.gz DSGKYNNMIXLUKD-DZGCQCFKSA-N 1 0 321.396 2.083 10 0 DEAERO CCC[C@@H](C)CC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173411636 198212251 /nfs/dbraw/zinc/21/22/51/198212251.db2.gz PRMQXDSNBYXGGB-ZIAGYGMSSA-N 1 0 319.453 2.430 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000333551950 539963232 /nfs/dbraw/zinc/96/32/32/539963232.db2.gz KIEYWMRMYUZQIE-VVLHAWIVSA-N 1 0 316.449 2.001 10 0 DEAERO CSc1ccc(OCCN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000173675976 198238935 /nfs/dbraw/zinc/23/89/35/198238935.db2.gz DIZMGQGRQCCEMY-HUUCEWRRSA-N 1 0 324.490 2.174 10 0 DEAERO CN(C(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CCC1 ZINC000173745412 198247660 /nfs/dbraw/zinc/24/76/60/198247660.db2.gz VQLMBQIOTMEDEW-UHFFFAOYSA-N 1 0 302.422 2.240 10 0 DEAERO CCC(CC)c1cc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)on1 ZINC000173914805 198268554 /nfs/dbraw/zinc/26/85/54/198268554.db2.gz MFANKSRRFDALGS-ZDUSSCGKSA-N 1 0 308.426 2.424 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCCNc2ccccn2)CC[N@@H+]1C ZINC000173955099 198272749 /nfs/dbraw/zinc/27/27/49/198272749.db2.gz HHFWIJJOOFECOF-CABCVRRESA-N 1 0 319.453 2.008 10 0 DEAERO CCc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)s1 ZINC000173955931 198273435 /nfs/dbraw/zinc/27/34/35/198273435.db2.gz RCAWDRSTQCRVIO-CYBMUJFWSA-N 1 0 305.447 2.466 10 0 DEAERO C[C@H](C[NH2+]C[C@@H]1COC2(CCOCC2)O1)Cc1ccccc1 ZINC000182074343 199382999 /nfs/dbraw/zinc/38/29/99/199382999.db2.gz ATYKEKLLCYWOPV-DOTOQJQBSA-N 1 0 305.418 2.377 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(CCCOCCc2ccccc2)CC1 ZINC000174094737 198291189 /nfs/dbraw/zinc/29/11/89/198291189.db2.gz QVXKVJISCQSBOP-LJQANCHMSA-N 1 0 320.477 2.024 10 0 DEAERO C[C@@H]1CCN(CC(=O)NC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000174434389 198334487 /nfs/dbraw/zinc/33/44/87/198334487.db2.gz UVDNUZOKGBTHBO-MRXNPFEDSA-N 1 0 317.477 2.498 10 0 DEAERO Cc1cnc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)s1 ZINC000174922627 198403024 /nfs/dbraw/zinc/40/30/24/198403024.db2.gz ZQXZPQOHKQCTLA-QWHCGFSZSA-N 1 0 306.435 2.168 10 0 DEAERO CN(C)C(=O)CC1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000182226297 199406618 /nfs/dbraw/zinc/40/66/18/199406618.db2.gz BXHSDHFYNXVKAY-SFHVURJKSA-N 1 0 304.434 2.084 10 0 DEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333533016 282943978 /nfs/dbraw/zinc/94/39/78/282943978.db2.gz MNUJITMFBPUHIZ-CZUORRHYSA-N 1 0 313.405 2.054 10 0 DEAERO N#Cc1cccc([C@H](CN2CC[NH2+]CC2)C2(O)CCCCC2)c1 ZINC000036376955 354165416 /nfs/dbraw/zinc/16/54/16/354165416.db2.gz UXERPKJQDAPBAM-SFHVURJKSA-N 1 0 313.445 2.242 10 0 DEAERO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000236786824 202007363 /nfs/dbraw/zinc/00/73/63/202007363.db2.gz VILUDOFHIYAAQR-ZIAGYGMSSA-N 1 0 318.417 2.195 10 0 DEAERO CC(C)(C)NC(=O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000042634740 354200758 /nfs/dbraw/zinc/20/07/58/354200758.db2.gz GUSYNIDMBQWYJR-QGZVFWFLSA-N 1 0 304.434 2.347 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000055105834 354484532 /nfs/dbraw/zinc/48/45/32/354484532.db2.gz LYRHMVXCDUWQJF-KGLIPLIRSA-N 1 0 306.406 2.063 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NC2(CO)CCCC2)[C@@H]1c1ccccc1 ZINC000179482591 283050330 /nfs/dbraw/zinc/05/03/30/283050330.db2.gz ONQFJPXQUSTUTO-CVEARBPZSA-N 1 0 317.433 2.036 10 0 DEAERO C[N@H+](CCNC(=O)c1ccnc(C2CC2)n1)C1CCCCC1 ZINC000069697277 354873195 /nfs/dbraw/zinc/87/31/95/354873195.db2.gz NZFAUTZWATWEJR-UHFFFAOYSA-N 1 0 302.422 2.348 10 0 DEAERO COC(C)(C)C[C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000073722367 191345956 /nfs/dbraw/zinc/34/59/56/191345956.db2.gz ZIBUHHXAMDBZRA-ZIAGYGMSSA-N 1 0 301.475 2.466 10 0 DEAERO Cc1csc2nc(C(=O)NCCCC[NH+]3CCCC3)cn12 ZINC000075303956 191459883 /nfs/dbraw/zinc/45/98/83/191459883.db2.gz RHWCOPZLNXQRIS-UHFFFAOYSA-N 1 0 306.435 2.310 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1ccccc1Br)C(F)(F)F ZINC000401872498 540143137 /nfs/dbraw/zinc/14/31/37/540143137.db2.gz LPOIVXLDJAEBCD-QMMMGPOBSA-N 1 0 311.101 2.069 10 0 DEAERO Cc1cncc(CC[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000402863393 540143726 /nfs/dbraw/zinc/14/37/26/540143726.db2.gz YPQWLXXXQWZJEA-KXBFYZLASA-N 1 0 310.445 2.438 10 0 DEAERO CC(C)OC[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)CCO1 ZINC000363751536 283096331 /nfs/dbraw/zinc/09/63/31/283096331.db2.gz SACJSHAQCLEQOB-AWEZNQCLSA-N 1 0 305.378 2.296 10 0 DEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)n1cc(Br)cn1 ZINC000085263929 192486605 /nfs/dbraw/zinc/48/66/05/192486605.db2.gz HOBUEPSDPLMEMC-JQWIXIFHSA-N 1 0 304.232 2.347 10 0 DEAERO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC000091404318 355594193 /nfs/dbraw/zinc/59/41/93/355594193.db2.gz QTPMEHSGYPTCTC-BXUZGUMPSA-N 1 0 314.476 2.070 10 0 DEAERO COC(=O)c1ccc(N2CCC[C@H]([NH+]3CCCCCC3)C2)nn1 ZINC000091482394 355599164 /nfs/dbraw/zinc/59/91/64/355599164.db2.gz IKDBWDULZUDFSB-AWEZNQCLSA-N 1 0 318.421 2.108 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnc(C2CC2)nc1 ZINC000103240222 355715492 /nfs/dbraw/zinc/71/54/92/355715492.db2.gz MMHURZOJTHZXFT-LBPRGKRZSA-N 1 0 303.410 2.350 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2noc3c2CCCC3)C[C@@H]1CC ZINC000108867492 355738389 /nfs/dbraw/zinc/73/83/89/355738389.db2.gz VBISRIUYLHHLMT-HNNXBMFYSA-N 1 0 321.465 2.486 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H]([NH2+]Cc2ccccc2)C1 ZINC000114084037 355761629 /nfs/dbraw/zinc/76/16/29/355761629.db2.gz FJUUTKFGNMTODZ-HUUCEWRRSA-N 1 0 306.406 2.147 10 0 DEAERO CCc1oc(C(=O)OC)cc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000177171706 198679951 /nfs/dbraw/zinc/67/99/51/198679951.db2.gz OXKYYCALDYCCRZ-JSGCOSHPSA-N 1 0 306.406 2.297 10 0 DEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000134437447 355860066 /nfs/dbraw/zinc/86/00/66/355860066.db2.gz KYTVWUARUBHPBG-CQSZACIVSA-N 1 0 300.349 2.098 10 0 DEAERO C[NH+]1CCC(N(C[C@@H]2CCOC2)C(=O)Cc2cccs2)CC1 ZINC000169749123 355980274 /nfs/dbraw/zinc/98/02/74/355980274.db2.gz CGSMFUMZDLWIAD-AWEZNQCLSA-N 1 0 322.474 2.250 10 0 DEAERO CCOC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079532867 191946803 /nfs/dbraw/zinc/94/68/03/191946803.db2.gz QSNGMVHEYHRPSP-DMWPJOQESA-N 1 0 308.403 2.237 10 0 DEAERO CCC(CC)[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000179790519 356032817 /nfs/dbraw/zinc/03/28/17/356032817.db2.gz TVXDMLBLSHBUAS-MOPGFXCFSA-N 1 0 320.477 2.447 10 0 DEAERO CCC[C@@H](C)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000179950912 356038689 /nfs/dbraw/zinc/03/86/89/356038689.db2.gz PDGKDZHSXSDQOT-CQSZACIVSA-N 1 0 306.454 2.298 10 0 DEAERO CCC[C@@H](C)C[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000180040799 356040360 /nfs/dbraw/zinc/04/03/60/356040360.db2.gz XXIBPKSJRWKZTG-MRXNPFEDSA-N 1 0 309.498 2.489 10 0 DEAERO C[C@H](C[NH2+]C(C)(C)c1ccc(F)c(F)c1)CS(C)(=O)=O ZINC000180874472 356064687 /nfs/dbraw/zinc/06/46/87/356064687.db2.gz CTTYMFGBSPBODM-SNVBAGLBSA-N 1 0 305.390 2.470 10 0 DEAERO NC(=[NH2+])CCCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000079866375 191979338 /nfs/dbraw/zinc/97/93/38/191979338.db2.gz YNURKHHHNCMVMY-UHFFFAOYSA-N 1 0 323.340 2.090 10 0 DEAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](CCO)c1ccc(OC)cc1 ZINC000182406238 356126071 /nfs/dbraw/zinc/12/60/71/356126071.db2.gz XSSCKCBAJXGDAH-HNNXBMFYSA-N 1 0 308.422 2.013 10 0 DEAERO NC(=[NH2+])[C@@H](NS(=O)(=O)C1CCCCC1)C1CCCCC1 ZINC000079787073 191972899 /nfs/dbraw/zinc/97/28/99/191972899.db2.gz NGNZCZHLWGXWHB-ZDUSSCGKSA-N 1 0 301.456 2.123 10 0 DEAERO CCc1cnc(CC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)s1 ZINC000183046520 356157576 /nfs/dbraw/zinc/15/75/76/356157576.db2.gz NFAURWGSFHMRJY-QWHCGFSZSA-N 1 0 316.492 2.193 10 0 DEAERO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCc1c(C)nn(C)c1C ZINC000183493252 356174091 /nfs/dbraw/zinc/17/40/91/356174091.db2.gz QPDLVBYIYJMUKL-CYBMUJFWSA-N 1 0 308.470 2.206 10 0 DEAERO Cc1ccccc1NC(=O)C[N@H+](CC(N)=S)C1CCCC1 ZINC000080223052 192013879 /nfs/dbraw/zinc/01/38/79/192013879.db2.gz RKVBPQJDYKHZOP-UHFFFAOYSA-N 1 0 305.447 2.464 10 0 DEAERO C[C@H]([NH3+])CCC(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000193244390 356224630 /nfs/dbraw/zinc/22/46/30/356224630.db2.gz XVNOZVCRIDDJGL-VIFPVBQESA-N 1 0 308.382 2.334 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc(Br)c2C)C1 ZINC000228501626 356280910 /nfs/dbraw/zinc/28/09/10/356280910.db2.gz IULDXDUEOJBBJI-BXKDBHETSA-N 1 0 313.195 2.073 10 0 DEAERO COc1cccc(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000080718495 192185770 /nfs/dbraw/zinc/18/57/70/192185770.db2.gz SVVNLLUOHUJIDN-MQVJKMGUSA-N 1 0 302.418 2.369 10 0 DEAERO [NH3+]Cc1cnc(OC(F)(F)F)cc1I ZINC000238570287 356304219 /nfs/dbraw/zinc/30/42/19/356304219.db2.gz IHUAYHDLNVODTF-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000248144100 356321269 /nfs/dbraw/zinc/32/12/69/356321269.db2.gz ZCYPLXGQFWYTQB-KZNAEPCWSA-N 1 0 322.493 2.413 10 0 DEAERO [NH3+][C@H](CNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)C1CC1 ZINC000261911101 356340251 /nfs/dbraw/zinc/34/02/51/356340251.db2.gz GVKCMRSTQAJRSM-CQSZACIVSA-N 1 0 312.373 2.081 10 0 DEAERO CC[C@H]([NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](C)O ZINC000400333617 283155849 /nfs/dbraw/zinc/15/58/49/283155849.db2.gz COCFNEWYRCLSGS-RFGFWPKPSA-N 1 0 300.443 2.381 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1[NH2+]Cc1ccccc1 ZINC000300227982 356390346 /nfs/dbraw/zinc/39/03/46/356390346.db2.gz ZVXRDYBDPDMHIX-FZKCQIBNSA-N 1 0 318.417 2.457 10 0 DEAERO COC[C@H]1CCN(c2nc3sccn3c2C[NH2+]C(C)C)C1 ZINC000081080506 192223353 /nfs/dbraw/zinc/22/33/53/192223353.db2.gz GMLMWUJPOBPCNR-LBPRGKRZSA-N 1 0 308.451 2.367 10 0 DEAERO CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000400460062 283157260 /nfs/dbraw/zinc/15/72/60/283157260.db2.gz UGPNLICXDQDERL-KFWWJZLASA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]([NH2+]CCN1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400509139 283157424 /nfs/dbraw/zinc/15/74/24/283157424.db2.gz KXBCIWMNDMAGEJ-HUUCEWRRSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@@H]1CC[C@]([NH3+])(c2ncncc2I)C1 ZINC000306153612 356403003 /nfs/dbraw/zinc/40/30/03/356403003.db2.gz BAMRFPVGNRERRF-GMSGAONNSA-N 1 0 303.147 2.055 10 0 DEAERO [NH3+]CC1([C@H](O)c2cccc(I)c2)CC1 ZINC000306559857 356404517 /nfs/dbraw/zinc/40/45/17/356404517.db2.gz LTXKXPANSURGDZ-SNVBAGLBSA-N 1 0 303.143 2.064 10 0 DEAERO C[N@H+](Cc1cc(N)cc(I)c1)C1CC1 ZINC000306722702 356405372 /nfs/dbraw/zinc/40/53/72/356405372.db2.gz FYWSRFNESXEBLB-UHFFFAOYSA-N 1 0 302.159 2.468 10 0 DEAERO Nc1ccc(CN2CC=CC2)cc1I ZINC000306668162 356405396 /nfs/dbraw/zinc/40/53/96/356405396.db2.gz JZELESAHPFWWHS-UHFFFAOYSA-N 1 0 300.143 2.245 10 0 DEAERO [NH3+]Cc1ccc(I)c(C(F)(F)F)n1 ZINC000307016694 356406469 /nfs/dbraw/zinc/40/64/69/356406469.db2.gz PGKKSFQCOKOVOB-UHFFFAOYSA-N 1 0 302.037 2.164 10 0 DEAERO CN(Cc1ccsc1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000328619825 356461385 /nfs/dbraw/zinc/46/13/85/356461385.db2.gz GGLGBXATVMDODE-ZDUSSCGKSA-N 1 0 304.419 2.141 10 0 DEAERO Cc1cccc(C(=O)N(Cc2cccnc2)C[C@@H]2CC[NH2+]C2)n1 ZINC000328638591 356465784 /nfs/dbraw/zinc/46/57/84/356465784.db2.gz PFHILZDLMRRBIK-MRXNPFEDSA-N 1 0 310.401 2.037 10 0 DEAERO Cc1ccc(C(=O)N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)c(F)c1 ZINC000328639033 356466099 /nfs/dbraw/zinc/46/60/99/356466099.db2.gz PITQMBQTOMYLNI-HNNXBMFYSA-N 1 0 320.408 2.317 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000536036051 540241137 /nfs/dbraw/zinc/24/11/37/540241137.db2.gz PZANPNWSEXRRQF-DLBZAZTESA-N 1 0 301.434 2.164 10 0 DEAERO [NH3+]C[C@H](c1ccc(Cl)cc1Cl)N1CCn2cnnc2C1 ZINC000081533194 192285370 /nfs/dbraw/zinc/28/53/70/192285370.db2.gz OYYMHSPWVSDZDO-GFCCVEGCSA-N 1 0 312.204 2.101 10 0 DEAERO FC(F)(F)c1ccnc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000081586820 192297540 /nfs/dbraw/zinc/29/75/40/192297540.db2.gz PTWRRRSUDFUWMD-QWRGUYRKSA-N 1 0 300.328 2.464 10 0 DEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000236881692 202050191 /nfs/dbraw/zinc/05/01/91/202050191.db2.gz URAGUVNMUKQMCX-ABAIWWIYSA-N 1 0 323.462 2.179 10 0 DEAERO COCC[C@H](C)[NH2+]CC(=O)Nc1ccccc1Br ZINC000081713154 192316171 /nfs/dbraw/zinc/31/61/71/192316171.db2.gz REXALIWLBCEBCN-JTQLQIEISA-N 1 0 315.211 2.402 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000236925368 202074792 /nfs/dbraw/zinc/07/47/92/202074792.db2.gz UTKJVBGQTNGOJC-ISVAXAHUSA-N 1 0 321.402 2.379 10 0 DEAERO CC[NH2+]CCNC(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000237006411 202119299 /nfs/dbraw/zinc/11/92/99/202119299.db2.gz FEDUEQXSTCMXNX-UHFFFAOYSA-N 1 0 306.797 2.173 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1Br ZINC000384299268 356682387 /nfs/dbraw/zinc/68/23/87/356682387.db2.gz YFZBTAYXXGQNJF-JQWIXIFHSA-N 1 0 311.223 2.453 10 0 DEAERO CC[C@H]([NH2+]Cc1cc(Br)c(O)c(OC)c1)[C@@H](C)O ZINC000386718953 356698315 /nfs/dbraw/zinc/69/83/15/356698315.db2.gz RMXPUIUEVNTNPT-KCJUWKMLSA-N 1 0 318.211 2.412 10 0 DEAERO CN(C)C(=O)CCC[NH2+]Cc1ccsc1Br ZINC000388516376 356705861 /nfs/dbraw/zinc/70/58/61/356705861.db2.gz UPMBPUIVNMDQQA-UHFFFAOYSA-N 1 0 305.241 2.469 10 0 DEAERO CCC1(CC)C[NH2+][C@H](C2CC2)CN1CCCS(=O)(=O)CC ZINC000086982737 192607173 /nfs/dbraw/zinc/60/71/73/192607173.db2.gz ASMIAVPVBCRTQM-HNNXBMFYSA-N 1 0 316.511 2.054 10 0 DEAERO CCOCC[C@H](O)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000087350235 192641633 /nfs/dbraw/zinc/64/16/33/192641633.db2.gz BYCFVZNTTKWJPS-STQMWFEESA-N 1 0 302.212 2.279 10 0 DEAERO C[C@@H]1CCc2ccccc2N1S(=O)(=O)CCC[NH2+]C1CC1 ZINC000088914947 192654720 /nfs/dbraw/zinc/65/47/20/192654720.db2.gz DXUAJHDGZKALTH-CYBMUJFWSA-N 1 0 308.447 2.300 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N(C)C2CCCCC2)s1 ZINC000088916768 192656484 /nfs/dbraw/zinc/65/64/84/192656484.db2.gz WPMOTIZMBJBBPH-UHFFFAOYSA-N 1 0 316.492 2.463 10 0 DEAERO CC[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000088921576 192657689 /nfs/dbraw/zinc/65/76/89/192657689.db2.gz JJXWKSCKUTVNOM-UHFFFAOYSA-N 1 0 302.465 2.075 10 0 DEAERO CC[NH2+]Cc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000088905540 192651414 /nfs/dbraw/zinc/65/14/14/192651414.db2.gz LNPSDXFPNGQGIX-UHFFFAOYSA-N 1 0 302.827 2.234 10 0 DEAERO CCN(C)S(=O)(=O)c1ccc(Cl)c(C[NH2+]C(C)C)c1 ZINC000088940332 192662021 /nfs/dbraw/zinc/66/20/21/192662021.db2.gz JKOKDQQKNCAPTQ-UHFFFAOYSA-N 1 0 304.843 2.478 10 0 DEAERO CCC[NH2+]CCc1ccc(S(=O)(=O)N2CCC[C@H]2C)cc1 ZINC000088971948 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C[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)CC1(CO)CC1 ZINC000186764969 200006311 /nfs/dbraw/zinc/00/63/11/200006311.db2.gz OHKZLBCMHRSYGO-ZDUSSCGKSA-N 1 0 303.324 2.443 10 0 DEAERO C[N@H+](Cc1cccs1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000280999281 216011541 /nfs/dbraw/zinc/01/15/41/216011541.db2.gz XPTDDCNWYNMZQF-STQMWFEESA-N 1 0 312.435 2.160 10 0 DEAERO Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)c12 ZINC000186885072 200026800 /nfs/dbraw/zinc/02/68/00/200026800.db2.gz JUFUUSVWICOONZ-QMTHXVAHSA-N 1 0 316.405 2.382 10 0 DEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)CC2 ZINC000187772866 200155414 /nfs/dbraw/zinc/15/54/14/200155414.db2.gz JNDUOVUGJMCWEH-DZGCQCFKSA-N 1 0 314.437 2.191 10 0 DEAERO CCCCOc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000187874498 200170148 /nfs/dbraw/zinc/17/01/48/200170148.db2.gz OHHLBONSONGNDQ-CQSZACIVSA-N 1 0 306.410 2.428 10 0 DEAERO C[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1cccc(Cl)c1 ZINC000188238103 200214610 /nfs/dbraw/zinc/21/46/10/200214610.db2.gz IFIYCLBGYYAZHZ-VIFPVBQESA-N 1 0 304.781 2.200 10 0 DEAERO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1 ZINC000188331976 200229452 /nfs/dbraw/zinc/22/94/52/200229452.db2.gz YWDCRUAWZDHZHQ-KEYYUXOJSA-N 1 0 321.417 2.484 10 0 DEAERO C[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc(Cl)cc1 ZINC000188238935 200214767 /nfs/dbraw/zinc/21/47/67/200214767.db2.gz IREUIVVOIZGYMO-VIFPVBQESA-N 1 0 304.781 2.200 10 0 DEAERO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)[C@@H](C)C1CCCCC1 ZINC000188638030 200278700 /nfs/dbraw/zinc/27/87/00/200278700.db2.gz BWMNUKSAZRELOF-VXGBXAGGSA-N 1 0 304.438 2.390 10 0 DEAERO CC(=O)Nc1ccc(C)c(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1 ZINC000188917309 200321595 /nfs/dbraw/zinc/32/15/95/200321595.db2.gz JANBWXPVDDNTCB-STQMWFEESA-N 1 0 303.406 2.118 10 0 DEAERO [NH3+]Cc1cc(I)nc(C(F)(F)F)c1 ZINC000095766950 283527410 /nfs/dbraw/zinc/52/74/10/283527410.db2.gz RNHIJFFOGSJDLA-UHFFFAOYSA-N 1 0 302.037 2.164 10 0 DEAERO CO[C@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2F)CC[C@@H]1C ZINC000189316938 200380959 /nfs/dbraw/zinc/38/09/59/200380959.db2.gz VZYHIEMGBHSVJW-BBRMVZONSA-N 1 0 308.397 2.141 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000189343317 200385241 /nfs/dbraw/zinc/38/52/41/200385241.db2.gz DSSTYQZTXPCALO-MWLCHTKSSA-N 1 0 305.296 2.422 10 0 DEAERO c1ccc(OCCOCC[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000441656737 238029517 /nfs/dbraw/zinc/02/95/17/238029517.db2.gz PEGYYSZMXLFEII-DLBZAZTESA-N 1 0 305.418 2.440 10 0 DEAERO COC(=O)[C@@H](C)[C@@H]([NH2+]CCC(=O)NC(C)C)c1ccccc1 ZINC000152095377 291238813 /nfs/dbraw/zinc/23/88/13/291238813.db2.gz HZPHAGUGZQODFR-XJKSGUPXSA-N 1 0 306.406 2.041 10 0 DEAERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000192251549 200842707 /nfs/dbraw/zinc/84/27/07/200842707.db2.gz XQTYGQLYTUPSFK-RDJZCZTQSA-N 1 0 304.434 2.250 10 0 DEAERO C[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1cccc(F)c1 ZINC000607821312 361114036 /nfs/dbraw/zinc/11/40/36/361114036.db2.gz SIOMIMJKSXHTSX-LBPRGKRZSA-N 1 0 304.369 2.326 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(c2ncnc3c2ncn3C2CC2)CC1 ZINC000292733698 223222862 /nfs/dbraw/zinc/22/28/62/223222862.db2.gz MJYLZWJRTMIPRY-GFCCVEGCSA-N 1 0 300.410 2.082 10 0 DEAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2nccn2c1 ZINC000608364026 361205523 /nfs/dbraw/zinc/20/55/23/361205523.db2.gz UJMJTODEPOZZMB-MRXNPFEDSA-N 1 0 316.405 2.066 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)CN(C)c2ccc(Cl)cn2)C1 ZINC000608226223 361186305 /nfs/dbraw/zinc/18/63/05/361186305.db2.gz LEFXNURBZSGQIA-CQSZACIVSA-N 1 0 324.856 2.114 10 0 DEAERO [NH3+]C1CCC(NS(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000193249135 201013072 /nfs/dbraw/zinc/01/30/72/201013072.db2.gz FMYNKKWVRVLLKK-UHFFFAOYSA-N 1 0 306.790 2.027 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000193257392 201015178 /nfs/dbraw/zinc/01/51/78/201015178.db2.gz XESCTLVEDNHBJT-HOGDKLEQSA-N 1 0 302.827 2.284 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000193295962 201023578 /nfs/dbraw/zinc/02/35/78/201023578.db2.gz UQPCRZYNJHETRV-MCIONIFRSA-N 1 0 305.422 2.366 10 0 DEAERO CCC([NH3+])(CC)CNS(=O)(=O)c1c(F)cccc1Cl ZINC000193299023 201024989 /nfs/dbraw/zinc/02/49/89/201024989.db2.gz SSUAROPCIXNMSH-UHFFFAOYSA-N 1 0 308.806 2.275 10 0 DEAERO CC(C)n1c(CCNC(=O)CC[C@H](C)[NH3+])nc2ccccc21 ZINC000193316835 201027723 /nfs/dbraw/zinc/02/77/23/201027723.db2.gz YLJROPDXDQSIAA-ZDUSSCGKSA-N 1 0 302.422 2.403 10 0 DEAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000261677873 283678317 /nfs/dbraw/zinc/67/83/17/283678317.db2.gz HIELPEIVYCGHEG-GFCCVEGCSA-N 1 0 314.451 2.013 10 0 DEAERO CC[C@@H](C)NC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611405499 361593046 /nfs/dbraw/zinc/59/30/46/361593046.db2.gz FUOCGXKOUWYHIO-CZUORRHYSA-N 1 0 320.433 2.431 10 0 DEAERO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1nnc(C)n1C1CC1 ZINC000611431730 361598561 /nfs/dbraw/zinc/59/85/61/361598561.db2.gz JHQKURGJCICXEW-BBRMVZONSA-N 1 0 306.410 2.133 10 0 DEAERO CCCCOC[C@H](O)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000195181519 201354996 /nfs/dbraw/zinc/35/49/96/201354996.db2.gz YTDBDURRLAFQJP-VFNWGFHPSA-N 1 0 313.463 2.033 10 0 DEAERO C[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)[C@H]1COc2ccccc21 ZINC000249789592 299342505 /nfs/dbraw/zinc/34/25/05/299342505.db2.gz DYMIULRMUUYHOI-HEHGZKQESA-N 1 0 323.458 2.354 10 0 DEAERO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)C(C)(C)C ZINC000091855230 296060722 /nfs/dbraw/zinc/06/07/22/296060722.db2.gz RHZKTHUFIWSLAK-HZPDHXFCSA-N 1 0 324.513 2.233 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)Cc2cc(F)ccc2F)C1 ZINC000622761624 364791884 /nfs/dbraw/zinc/79/18/84/364791884.db2.gz TZZCMAFSVSUULR-ZYHUDNBSSA-N 1 0 322.277 2.388 10 0 DEAERO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)CCO1 ZINC000449251212 240251383 /nfs/dbraw/zinc/25/13/83/240251383.db2.gz NWKWUYGHPLIQHE-ZBFHGGJFSA-N 1 0 311.447 2.383 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(N2CCCC2)cc1 ZINC000091135282 193001768 /nfs/dbraw/zinc/00/17/68/193001768.db2.gz BANPPIJGYGGJHL-CQSZACIVSA-N 1 0 305.447 2.320 10 0 DEAERO CO[C@H]1C[C@@H](C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000623823163 365185570 /nfs/dbraw/zinc/18/55/70/365185570.db2.gz PNXLIZJUBIXLKY-PHIMTYICSA-N 1 0 317.838 2.258 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(Br)nc1 ZINC000091448320 193057904 /nfs/dbraw/zinc/05/79/04/193057904.db2.gz UGMZCWVVZBPAKA-JTQLQIEISA-N 1 0 312.211 2.058 10 0 DEAERO CN(Cc1ccc(Cl)cc1)[C@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323356 193039848 /nfs/dbraw/zinc/03/98/48/193039848.db2.gz CVFYTNDVLWOJEJ-HNNXBMFYSA-N 1 0 309.841 2.112 10 0 DEAERO Cc1csc(CCNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000091361218 193046139 /nfs/dbraw/zinc/04/61/39/193046139.db2.gz XVWKZGSCKPGCGC-RDBSUJKOSA-N 1 0 307.463 2.421 10 0 DEAERO COCC[NH2+]CC[C@](C)(O)Cc1sccc1Br ZINC000091519486 193068019 /nfs/dbraw/zinc/06/80/19/193068019.db2.gz NHGRLDZVMMGBKI-LBPRGKRZSA-N 1 0 322.268 2.430 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)[C@@](C)(CC)N1CCCC1 ZINC000091607826 193079419 /nfs/dbraw/zinc/07/94/19/193079419.db2.gz NICIDWZDPLJKAX-HZPDHXFCSA-N 1 0 318.527 2.444 10 0 DEAERO Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC000091481320 193062214 /nfs/dbraw/zinc/06/22/14/193062214.db2.gz ZGAIZAMZVSLVNQ-SNVBAGLBSA-N 1 0 308.325 2.117 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Br)cs1 ZINC000624176892 365320483 /nfs/dbraw/zinc/32/04/83/365320483.db2.gz UQPKPXMFEVIANR-MWLCHTKSSA-N 1 0 319.268 2.492 10 0 DEAERO COc1ccc(OC)c(-c2csc([C@@H]3C[NH2+]CCO3)n2)c1 ZINC000091501739 193064758 /nfs/dbraw/zinc/06/47/58/193064758.db2.gz XDWXBIJPXIRMCA-AWEZNQCLSA-N 1 0 306.387 2.488 10 0 DEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)[C@@](C)(CC)N1CCCC1 ZINC000091607116 193079733 /nfs/dbraw/zinc/07/97/33/193079733.db2.gz OYCMIKINGYPURO-JKSUJKDBSA-N 1 0 318.527 2.444 10 0 DEAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000624238730 365346499 /nfs/dbraw/zinc/34/64/99/365346499.db2.gz XNSPORARCWPQDB-HZSPNIEDSA-N 1 0 312.207 2.176 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)C1(N(C)C)CCCCCC1 ZINC000091654737 193084683 /nfs/dbraw/zinc/08/46/83/193084683.db2.gz LXZVCVNELGCXII-HNNXBMFYSA-N 1 0 318.527 2.444 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)[C@H]1CN(C)CCO1 ZINC000091717760 193097023 /nfs/dbraw/zinc/09/70/23/193097023.db2.gz NIZGCCCSJYSPOF-UONOGXRCSA-N 1 0 303.233 2.455 10 0 DEAERO CC[NH2+][C@H](Cc1ccncc1Cl)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721649 193097284 /nfs/dbraw/zinc/09/72/84/193097284.db2.gz IAXCGGRTGUQNSN-BMFZPTHFSA-N 1 0 309.841 2.119 10 0 DEAERO CCN(CC)C(CC)(CC)[C@H](CCCS(C)(=O)=O)[NH2+]C ZINC000091633810 193082421 /nfs/dbraw/zinc/08/24/21/193082421.db2.gz BVSXYGCZGJGALV-AWEZNQCLSA-N 1 0 306.516 2.300 10 0 DEAERO CC[NH2+]C1CCC(N(C)S(=O)(=O)c2cccc(F)c2)CC1 ZINC000091869903 193121460 /nfs/dbraw/zinc/12/14/60/193121460.db2.gz WPKMTZXRDIPTGQ-UHFFFAOYSA-N 1 0 314.426 2.367 10 0 DEAERO c1ccc2c(c1)CN(c1ccnc(N3CC[C@@H]4COC[C@@H]4C3)n1)C2 ZINC000624408747 365412953 /nfs/dbraw/zinc/41/29/53/365412953.db2.gz DEACCNLBMRBWIN-SJORKVTESA-N 1 0 322.412 2.470 10 0 DEAERO [NH3+]CC1([C@H](O)c2cccc(Br)c2)CCOCC1 ZINC000091910448 193125393 /nfs/dbraw/zinc/12/53/93/193125393.db2.gz BZFDIJUKNFBWKC-GFCCVEGCSA-N 1 0 300.196 2.238 10 0 DEAERO COc1cc(F)cc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000091928395 193127813 /nfs/dbraw/zinc/12/78/13/193127813.db2.gz FVKFDBPSLPHCHZ-WFASDCNBSA-N 1 0 323.412 2.458 10 0 DEAERO CC(C)C[NH2+]Cc1ncoc1-c1ccc(S(C)(=O)=O)cc1 ZINC000091959375 193132281 /nfs/dbraw/zinc/13/22/81/193132281.db2.gz FZHDENJQUYRUMW-UHFFFAOYSA-N 1 0 308.403 2.491 10 0 DEAERO CC1CCN(C(=O)N(CC(F)(F)F)C2CC[NH2+]CC2)CC1 ZINC000091973036 193134169 /nfs/dbraw/zinc/13/41/69/193134169.db2.gz RQTBZNRTLBSIJC-UHFFFAOYSA-N 1 0 307.360 2.455 10 0 DEAERO Cc1ccc(OCCCS(C)(=O)=O)c(C[NH2+]C(C)(C)C)n1 ZINC000091996060 193138019 /nfs/dbraw/zinc/13/80/19/193138019.db2.gz RBKCVGXRHXITDZ-UHFFFAOYSA-N 1 0 314.451 2.092 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC000629974555 367410344 /nfs/dbraw/zinc/41/03/44/367410344.db2.gz IRDDFVLXZJQDIE-UHFFFAOYSA-N 1 0 314.429 2.301 10 0 DEAERO CC1CCN(C(=[NH2+])NC[C@H](n2cccn2)C(F)(F)F)CC1 ZINC000630386992 367626647 /nfs/dbraw/zinc/62/66/47/367626647.db2.gz DDHHJXXMCVQAQY-NSHDSACASA-N 1 0 303.332 2.243 10 0 DEAERO C[NH2+]CCOCCN(C)c1ncc(Cl)cc1Br ZINC000630531270 367709792 /nfs/dbraw/zinc/70/97/92/367709792.db2.gz UKIRQRKLZINGDW-UHFFFAOYSA-N 1 0 322.634 2.170 10 0 DEAERO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000092093825 193155619 /nfs/dbraw/zinc/15/56/19/193155619.db2.gz ZNBYCFMLISEQNF-AWEZNQCLSA-N 1 0 323.437 2.292 10 0 DEAERO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000092101885 193159305 /nfs/dbraw/zinc/15/93/05/193159305.db2.gz QGCGARCUZMIRKS-OAHLLOKOSA-N 1 0 312.417 2.377 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH2+]C(C)(C)C)o2)C[C@@H]1C ZINC000092113110 193160402 /nfs/dbraw/zinc/16/04/02/193160402.db2.gz OGHKTYCSLBXDJT-RYUDHWBXSA-N 1 0 314.451 2.444 10 0 DEAERO C[NH2+]CCCc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc1 ZINC000092113939 193161420 /nfs/dbraw/zinc/16/14/20/193161420.db2.gz UYCMYFOSLPEBTP-ZIAGYGMSSA-N 1 0 310.463 2.115 10 0 DEAERO CCN(Cc1ccco1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115872 193163904 /nfs/dbraw/zinc/16/39/04/193163904.db2.gz LCFSREJSQRDCHS-UHFFFAOYSA-N 1 0 312.366 2.088 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NCC(C)(C)C)c(F)c1 ZINC000092115849 193164195 /nfs/dbraw/zinc/16/41/95/193164195.db2.gz KVGJKDMGXYTRKU-UHFFFAOYSA-N 1 0 302.415 2.260 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c(F)c1 ZINC000092116293 193164419 /nfs/dbraw/zinc/16/44/19/193164419.db2.gz XBARQPMVDFEAMN-RYUDHWBXSA-N 1 0 314.426 2.212 10 0 DEAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1COC[C@@H]1O ZINC000631200523 368074022 /nfs/dbraw/zinc/07/40/22/368074022.db2.gz LFMFUDUSEWLOLJ-GIGVFAARSA-N 1 0 301.308 2.458 10 0 DEAERO CN(Cc1ccc(Br)cc1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092204399 193173072 /nfs/dbraw/zinc/17/30/72/193173072.db2.gz RDRVUHMJKBGXQG-AAEUAGOBSA-N 1 0 309.207 2.311 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092206602 193172770 /nfs/dbraw/zinc/17/27/70/193172770.db2.gz GVUJBXHMNXCNRQ-ZJUUUORDSA-N 1 0 308.403 2.329 10 0 DEAERO O=C(N[C@@H]1CCCOC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174669507 284028971 /nfs/dbraw/zinc/02/89/71/284028971.db2.gz ADUVMAYEDYFQMM-IAGOWNOFSA-N 1 0 302.418 2.336 10 0 DEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)[C@H]3CSc4ccccc43)C[C@@H]2C1 ZINC000092239107 193178370 /nfs/dbraw/zinc/17/83/70/193178370.db2.gz GSCHAIMHWACZDT-OSFYFWSMSA-N 1 0 302.443 2.462 10 0 DEAERO c1ccc(Cc2noc(CN3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886517 368442024 /nfs/dbraw/zinc/44/20/24/368442024.db2.gz IHGJKQMTGISAOU-HOTGVXAUSA-N 1 0 312.417 2.234 10 0 DEAERO CC(=O)c1ccccc1OCCN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885960 368440945 /nfs/dbraw/zinc/44/09/45/368440945.db2.gz FNGPTPTWLUPKOV-NVXWUHKLSA-N 1 0 302.418 2.342 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000631968361 368472347 /nfs/dbraw/zinc/47/23/47/368472347.db2.gz UMANGJNKRQLDIH-RKDXNWHRSA-N 1 0 323.245 2.209 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)cc1F ZINC000631960813 368467584 /nfs/dbraw/zinc/46/75/84/368467584.db2.gz YCTJMIUHYYGFPY-GFCCVEGCSA-N 1 0 300.399 2.026 10 0 DEAERO O=C(N[C@@H]1CCOc2ccccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066174551 284083813 /nfs/dbraw/zinc/08/38/13/284083813.db2.gz CCSSIHOKHAXTDC-GDBMZVCRSA-N 1 0 315.417 2.390 10 0 DEAERO COCC[NH2+]Cc1sc(N(C)[C@H](C)COC)nc1C(C)C ZINC000092999850 193192747 /nfs/dbraw/zinc/19/27/47/193192747.db2.gz MCQTWSQUEQYFOG-GFCCVEGCSA-N 1 0 315.483 2.474 10 0 DEAERO Cc1ccc(Cl)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261936086 203157872 /nfs/dbraw/zinc/15/78/72/203157872.db2.gz MFYDWWWIZXFCCJ-KGLIPLIRSA-N 1 0 318.808 2.324 10 0 DEAERO CCc1cccc(C)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261970353 203163269 /nfs/dbraw/zinc/16/32/69/203163269.db2.gz QMUYWICBGQHDNH-CVEARBPZSA-N 1 0 312.417 2.233 10 0 DEAERO CCn1ncnc1C[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000093151683 193207888 /nfs/dbraw/zinc/20/78/88/193207888.db2.gz DHTZXXWSUVABEH-NSHDSACASA-N 1 0 309.211 2.346 10 0 DEAERO C[C@H]1C[C@@H](C(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)CC[NH2+]1 ZINC000262359112 203272718 /nfs/dbraw/zinc/27/27/18/203272718.db2.gz IJGLIJRAKFSSNS-CHIMOYNISA-N 1 0 314.788 2.017 10 0 DEAERO O=S1(=O)CC[C@H](C2(C[C@@H]3CSc4ccccc43)C[NH2+]C2)C1 ZINC000093195484 193214658 /nfs/dbraw/zinc/21/46/58/193214658.db2.gz HYVKHJVLYVQOKY-OLZOCXBDSA-N 1 0 323.483 2.290 10 0 DEAERO CCCn1cc(S(=O)(=O)N(CC)C[C@H](C)CC)cc1C[NH3+] ZINC000093265943 193222943 /nfs/dbraw/zinc/22/29/43/193222943.db2.gz XVWDLBNGLJVPNM-CYBMUJFWSA-N 1 0 315.483 2.414 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Br)cc1F)C(OC)OC ZINC000093304829 193227682 /nfs/dbraw/zinc/22/76/82/193227682.db2.gz ORPUUIYYYYKCBF-NSHDSACASA-N 1 0 306.175 2.338 10 0 DEAERO CCOCC[N@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000093313879 193229528 /nfs/dbraw/zinc/22/95/28/193229528.db2.gz NIRWTFJFEBUTGI-OAHLLOKOSA-N 1 0 301.814 2.186 10 0 DEAERO COCC[NH2+]Cc1cn(C)nc1-c1cnc2ccsc2c1 ZINC000093297518 193226355 /nfs/dbraw/zinc/22/63/55/193226355.db2.gz YTGKHEQTETYIHG-UHFFFAOYSA-N 1 0 302.403 2.433 10 0 DEAERO CCOC(OCC)[C@@H]([NH3+])Cc1c(Cl)c(CC)nn1CC ZINC000093306621 193227230 /nfs/dbraw/zinc/22/72/30/193227230.db2.gz OBISZWJDKNWATB-JTQLQIEISA-N 1 0 303.834 2.388 10 0 DEAERO C[NH2+][C@H](Cc1cc(OC)ccc1Br)C(OC)OC ZINC000093304916 193227319 /nfs/dbraw/zinc/22/73/19/193227319.db2.gz LPSREHPFAUKKII-GFCCVEGCSA-N 1 0 318.211 2.207 10 0 DEAERO C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1cccc(NS(C)(=O)=O)c1 ZINC000093473998 193256632 /nfs/dbraw/zinc/25/66/32/193256632.db2.gz AZFVFQXHEPNSDW-OLZOCXBDSA-N 1 0 311.451 2.391 10 0 DEAERO [NH2+]=C1NC[C@@H](c2cc(Cl)c3c(c2)OCCO3)N1CC1CC1 ZINC000093394129 193243064 /nfs/dbraw/zinc/24/30/64/193243064.db2.gz NSDGFPLZQPHTMM-LBPRGKRZSA-N 1 0 307.781 2.193 10 0 DEAERO C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccncc2)CCN1C ZINC000093644852 193280244 /nfs/dbraw/zinc/28/02/44/193280244.db2.gz SRCBLBNNVNANHI-YOEHRIQHSA-N 1 0 313.449 2.397 10 0 DEAERO C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525773 193264241 /nfs/dbraw/zinc/26/42/41/193264241.db2.gz ULTRSPJZMRHSBF-ZFWWWQNUSA-N 1 0 316.511 2.052 10 0 DEAERO Cc1c(Cl)cnn1CC[C@@H]1CCC[C@@]1([NH2+]C(C)C)C(N)=O ZINC000093616118 193275311 /nfs/dbraw/zinc/27/53/11/193275311.db2.gz RPJJZGGEYXQACH-WFASDCNBSA-N 1 0 312.845 2.257 10 0 DEAERO Cc1nnc(SCC[C@@H]2CCC[C@]2(CO)[NH2+]C(C)C)n1C ZINC000093622293 193275472 /nfs/dbraw/zinc/27/54/72/193275472.db2.gz KFQSWBCBNRTNFR-DZGCQCFKSA-N 1 0 312.483 2.135 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1ccc(OC)cc1 ZINC000093629117 193275898 /nfs/dbraw/zinc/27/58/98/193275898.db2.gz LEWHFQYJNFLKHF-WBMJQRKESA-N 1 0 308.447 2.421 10 0 DEAERO NC(=O)[C@@]1([NH3+])CCC[C@@H]1CCSc1nc2ccccc2[nH]1 ZINC000093629105 193276277 /nfs/dbraw/zinc/27/62/77/193276277.db2.gz OIQQIDYNYNVXHO-MEBBXXQBSA-N 1 0 304.419 2.028 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1ccc(Cl)cn1 ZINC000093631205 193277813 /nfs/dbraw/zinc/27/78/13/193277813.db2.gz ABUSSTKCLLAADU-YGRLFVJLSA-N 1 0 313.854 2.461 10 0 DEAERO C[NH+](C)C[C@H](NCc1cc(C(N)=O)cs1)c1ccccc1 ZINC000093685368 193288779 /nfs/dbraw/zinc/28/87/79/193288779.db2.gz KUJRXPKGDMODMJ-HNNXBMFYSA-N 1 0 303.431 2.240 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Br)c(CC)nn1C)[C@@H](C)OC ZINC000093690684 193289554 /nfs/dbraw/zinc/28/95/54/193289554.db2.gz DTRACTNLVBCENN-KOLCDFICSA-N 1 0 318.259 2.301 10 0 DEAERO Cc1cc([C@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)c(C)o1 ZINC000093696718 193292196 /nfs/dbraw/zinc/29/21/96/193292196.db2.gz SPPZRNQTXKUWFO-GXTWGEPZSA-N 1 0 314.451 2.219 10 0 DEAERO Cc1ccccc1[C@](C)([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699152 193293614 /nfs/dbraw/zinc/29/36/14/193293614.db2.gz GRPPQYWYZCTYAP-GDBMZVCRSA-N 1 0 310.463 2.231 10 0 DEAERO Cc1cc([C@@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)ccc1F ZINC000093700052 193294080 /nfs/dbraw/zinc/29/40/80/193294080.db2.gz UMZHIXIQKYBZFR-WFASDCNBSA-N 1 0 314.426 2.196 10 0 DEAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)cc1 ZINC000093699882 193294425 /nfs/dbraw/zinc/29/44/25/193294425.db2.gz XLZALGNWQMFKQO-ZBFHGGJFSA-N 1 0 310.463 2.317 10 0 DEAERO C[C@@]1(c2nc3cc(F)c(Br)cc3[nH]2)COC[C@@H]1[NH3+] ZINC000093728890 193297800 /nfs/dbraw/zinc/29/78/00/193297800.db2.gz GXPBDZPXMYQXRM-CMPLNLGQSA-N 1 0 314.158 2.080 10 0 DEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H](N(C)CCC(F)(F)F)C1 ZINC000093756552 193301098 /nfs/dbraw/zinc/30/10/98/193301098.db2.gz RZTXPYGJWGORKE-WCQYABFASA-N 1 0 309.376 2.035 10 0 DEAERO CCN[C@]1(C(=O)OC)CCC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756624 193301146 /nfs/dbraw/zinc/30/11/46/193301146.db2.gz CTWYVPBSOZPPBL-DGCLKSJQSA-N 1 0 310.360 2.335 10 0 DEAERO NC(=O)[C@@]1([NH2+]C2CC2)CC[C@H](Sc2ccc(Cl)cn2)C1 ZINC000093854038 193319391 /nfs/dbraw/zinc/31/93/91/193319391.db2.gz KIAYUTZGLCQHDU-SMDDNHRTSA-N 1 0 311.838 2.356 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccccc1Cl ZINC000093878199 193321859 /nfs/dbraw/zinc/32/18/59/193321859.db2.gz ZRSDWQOARCVNIK-UHFFFAOYSA-N 1 0 304.843 2.336 10 0 DEAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@@H]3CN(C)CCN3C)sc21 ZINC000093896234 193324652 /nfs/dbraw/zinc/32/46/52/193324652.db2.gz HHWXGFIHIZMPHD-YPMHNXCESA-N 1 0 308.495 2.294 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)[C@H]1CN(C)CCN1C ZINC000093894730 193325545 /nfs/dbraw/zinc/32/55/45/193325545.db2.gz KLMNNUVZFXBCAA-HUUCEWRRSA-N 1 0 316.276 2.370 10 0 DEAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000094023794 193339261 /nfs/dbraw/zinc/33/92/61/193339261.db2.gz SGAWAROQMRYBPW-UHFFFAOYSA-N 1 0 308.856 2.022 10 0 DEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1C ZINC000094023856 193339319 /nfs/dbraw/zinc/33/93/19/193339319.db2.gz ZODBIEWBALLHGI-UHFFFAOYSA-N 1 0 310.463 2.314 10 0 DEAERO [NH3+]CCCCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000093966339 193332432 /nfs/dbraw/zinc/33/24/32/193332432.db2.gz FBUGGUKSMBMZEC-UHFFFAOYSA-N 1 0 311.179 2.174 10 0 DEAERO C[NH2+][C@H](Cc1nc(-c2ccccc2)cs1)[C@H]1COCCO1 ZINC000094256643 193355326 /nfs/dbraw/zinc/35/53/26/193355326.db2.gz ZWTHKOUATNHAKP-UKRRQHHQSA-N 1 0 304.415 2.356 10 0 DEAERO CCN1CCO[C@@H]([C@@H](Cc2nc3ccccc3s2)[NH2+]C)C1 ZINC000094251586 193355387 /nfs/dbraw/zinc/35/53/87/193355387.db2.gz UOTUPFVNIXXWCO-ZIAGYGMSSA-N 1 0 305.447 2.148 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)CCS(C)(=O)=O ZINC000094297315 193356595 /nfs/dbraw/zinc/35/65/95/193356595.db2.gz MDQQKFJOMJUFGX-JOYOIKCWSA-N 1 0 324.899 2.156 10 0 DEAERO CCC[NH2+][C@@H]1CCCCCC[C@@H]1N(C)CCS(C)(=O)=O ZINC000094298405 193357660 /nfs/dbraw/zinc/35/76/60/193357660.db2.gz YGHFGHCQKWEZCK-CABCVRRESA-N 1 0 304.500 2.054 10 0 DEAERO CC(C)[NH2+]Cc1c(Cl)cccc1N(C)CCS(C)(=O)=O ZINC000094299183 193357776 /nfs/dbraw/zinc/35/77/76/193357776.db2.gz LFQVCJYAUBGCCT-UHFFFAOYSA-N 1 0 318.870 2.319 10 0 DEAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](CC)N(C)CCS(C)(=O)=O ZINC000094298149 193358052 /nfs/dbraw/zinc/35/80/52/193358052.db2.gz FMZCQQPWCDLOKK-CVEARBPZSA-N 1 0 312.479 2.092 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCC2(C)C)o1 ZINC000094323089 193359562 /nfs/dbraw/zinc/35/95/62/193359562.db2.gz RVDOJJDEZXDLLO-GFCCVEGCSA-N 1 0 300.424 2.246 10 0 DEAERO C[C@@H]([NH3+])Cc1cc(F)c(OCCCC(=O)N(C)C)c(F)c1 ZINC000094350408 193363215 /nfs/dbraw/zinc/36/32/15/193363215.db2.gz PEYWSSXBWSMQCR-SNVBAGLBSA-N 1 0 300.349 2.102 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(OCC(=O)N(C)CC)c(F)c1 ZINC000094347226 193363677 /nfs/dbraw/zinc/36/36/77/193363677.db2.gz WWIYWDBZXOLBCI-UHFFFAOYSA-N 1 0 300.349 2.322 10 0 DEAERO Cc1cc(NC(=O)C2(C)CC[NH2+]CC2)ncc1Br ZINC000094063560 193342278 /nfs/dbraw/zinc/34/22/78/193342278.db2.gz GVOAYXYVOUHZEF-UHFFFAOYSA-N 1 0 312.211 2.481 10 0 DEAERO Cc1cc(NC(=O)[C@@H](C[NH3+])C(C)C)ncc1Br ZINC000094063669 193342367 /nfs/dbraw/zinc/34/23/67/193342367.db2.gz CWSGFIIDWDQQJX-VIFPVBQESA-N 1 0 300.200 2.322 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)c1cc(Br)ccc1F ZINC000094109309 193345332 /nfs/dbraw/zinc/34/53/32/193345332.db2.gz ZXFIWKBVUJIQDB-CYBMUJFWSA-N 1 0 320.202 2.422 10 0 DEAERO CCCn1c2ccccc2nc1C[C@](O)(C[NH3+])C(F)(F)F ZINC000094167448 193347472 /nfs/dbraw/zinc/34/74/72/193347472.db2.gz BJLQEJWNTFLQKZ-ZDUSSCGKSA-N 1 0 301.312 2.241 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3ncc(Cl)cc3Cl)no2)C1 ZINC000094199134 193348940 /nfs/dbraw/zinc/34/89/40/193348940.db2.gz ZISZCJGBXPBJKI-CBAPKCEASA-N 1 0 315.160 2.488 10 0 DEAERO CC[C@@](C)([NH3+])C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000094234379 193353224 /nfs/dbraw/zinc/35/32/24/193353224.db2.gz MBEIIGMILSZGRP-CQSZACIVSA-N 1 0 315.870 2.173 10 0 DEAERO CCC([NH3+])(CC)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000094243768 193354255 /nfs/dbraw/zinc/35/42/55/193354255.db2.gz YCTRKWTVSMVXRH-UHFFFAOYSA-N 1 0 311.813 2.498 10 0 DEAERO CC[N@H+](Cc1cccc(N)c1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094637566 193387094 /nfs/dbraw/zinc/38/70/94/193387094.db2.gz GINNXQRISMWZTL-HOTGVXAUSA-N 1 0 310.463 2.447 10 0 DEAERO CC[NH2+][C@@H](c1cc(F)c(C)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000094707857 193393171 /nfs/dbraw/zinc/39/31/71/193393171.db2.gz ALOKMSGXEYTSFO-IINYFYTJSA-N 1 0 303.374 2.359 10 0 DEAERO C[NH+](C)C(C)(C)COc1nc(Br)cn2ccnc12 ZINC000094486133 193372247 /nfs/dbraw/zinc/37/22/47/193372247.db2.gz ZQNXPGNLHQBVBQ-UHFFFAOYSA-N 1 0 313.199 2.211 10 0 DEAERO CC(C)[NH+]1CCN(c2nc(Br)cn3ccnc23)CC1 ZINC000094487686 193373005 /nfs/dbraw/zinc/37/30/05/193373005.db2.gz JUJKVKJHWGFHMS-UHFFFAOYSA-N 1 0 324.226 2.022 10 0 DEAERO C[C@@H](CC[NH+](C)C)Nc1nc(Br)cn2ccnc12 ZINC000094489097 193373368 /nfs/dbraw/zinc/37/33/68/193373368.db2.gz FAJWCDAJWRNHRU-VIFPVBQESA-N 1 0 312.215 2.244 10 0 DEAERO C[NH+](C)[C@H]1CCCN(c2nc(Br)cn3ccnc23)C1 ZINC000094491327 193374010 /nfs/dbraw/zinc/37/40/10/193374010.db2.gz GTKXPAOAPTYRAL-JTQLQIEISA-N 1 0 324.226 2.022 10 0 DEAERO CCC[NH2+][C@H](Cc1ncnn1CCC)[C@@H]1CSCCS1 ZINC000094498980 193374563 /nfs/dbraw/zinc/37/45/63/193374563.db2.gz AKNRXFOUDRSLEH-OLZOCXBDSA-N 1 0 314.524 2.447 10 0 DEAERO CC[NH2+][C@H](Cc1ncnn1CC(C)C)[C@@H]1CSCCS1 ZINC000094497544 193374777 /nfs/dbraw/zinc/37/47/77/193374777.db2.gz FVQYKLRCXZVLMA-OLZOCXBDSA-N 1 0 314.524 2.303 10 0 DEAERO C[NH2+][C@H](Cc1cc(Cl)ccc1Cl)[C@H]1CN2CCN1CC2 ZINC000094509180 193376232 /nfs/dbraw/zinc/37/62/32/193376232.db2.gz CQXMTVLGRBLTPW-HUUCEWRRSA-N 1 0 314.260 2.124 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)O1 ZINC000094567367 193380904 /nfs/dbraw/zinc/38/09/04/193380904.db2.gz YDELAPPNSJXFPP-CHWSQXEVSA-N 1 0 303.387 2.255 10 0 DEAERO C[NH+](C)C(C)(C)CNc1nc2ccc(Br)cn2n1 ZINC000094604778 193383586 /nfs/dbraw/zinc/38/35/86/193383586.db2.gz CYKBEVBHIVXDDQ-UHFFFAOYSA-N 1 0 312.215 2.244 10 0 DEAERO CC[NH+](CC)CCNc1nc2ccc(Br)cn2n1 ZINC000094602378 193384164 /nfs/dbraw/zinc/38/41/64/193384164.db2.gz ZKDSQJACZYPBHM-UHFFFAOYSA-N 1 0 312.215 2.246 10 0 DEAERO Brc1cccn2nc(NC[C@H]3CCCC[NH2+]3)nc12 ZINC000094607624 193384854 /nfs/dbraw/zinc/38/48/54/193384854.db2.gz WUGXFIUFBKKCLO-SECBINFHSA-N 1 0 310.199 2.046 10 0 DEAERO CC[NH2+][C@H](C)c1cc(F)ccc1O[C@H]1CCS(=O)(=O)C1 ZINC000094618896 193385297 /nfs/dbraw/zinc/38/52/97/193385297.db2.gz IHOJRYRMXQDDLJ-PWSUYJOCSA-N 1 0 301.383 2.062 10 0 DEAERO Cc1cc(F)c([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1F ZINC000094736791 193393887 /nfs/dbraw/zinc/39/38/87/193393887.db2.gz CQNMVLLQCXLLND-GHMZBOCLSA-N 1 0 303.374 2.359 10 0 DEAERO Cc1cc(C)cc(CS(=O)(=O)[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000094721254 193393982 /nfs/dbraw/zinc/39/39/82/193393982.db2.gz UNQYDKCMIOGUIP-GFCCVEGCSA-N 1 0 309.353 2.498 10 0 DEAERO CCn1c(=O)[nH]nc1Sc1cc(C)c(F)cc1[C@@H](C)[NH2+]C ZINC000094768537 193396582 /nfs/dbraw/zinc/39/65/82/193396582.db2.gz AVIJGWZFCMHAEE-SECBINFHSA-N 1 0 310.398 2.470 10 0 DEAERO O=C(N[C@H]1CCCc2cc(F)ccc21)c1[nH]nc2c1C[NH2+]CC2 ZINC000188990496 284185633 /nfs/dbraw/zinc/18/56/33/284185633.db2.gz OSLDSIGJQKSSML-AWEZNQCLSA-N 1 0 314.364 2.002 10 0 DEAERO C[NH2+][C@H](C[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(OC)c1 ZINC000097302499 193706289 /nfs/dbraw/zinc/70/62/89/193706289.db2.gz ICBCDGZIZOFMGC-ZWNOBZJWSA-N 1 0 317.838 2.434 10 0 DEAERO COCCn1ncc(Br)c1[C@]1(C2CC2)CCC[NH2+]1 ZINC000160805452 197440254 /nfs/dbraw/zinc/44/02/54/197440254.db2.gz RDZYKVDWAVILQZ-CYBMUJFWSA-N 1 0 314.227 2.281 10 0 DEAERO COC[C@H](C)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000019904364 182162333 /nfs/dbraw/zinc/16/23/33/182162333.db2.gz GREDTCPOAAMQQR-QMMMGPOBSA-N 1 0 304.184 2.288 10 0 DEAERO O=C1C[C@H]([NH2+]CCc2ccc(F)cc2)C(=O)N1c1ccccc1 ZINC000019889546 182161082 /nfs/dbraw/zinc/16/10/82/182161082.db2.gz IAWUYAPYBPOPGX-INIZCTEOSA-N 1 0 312.344 2.290 10 0 DEAERO CCCn1ncc(Br)c1[C@@H]([NH2+]C)[C@H]1CCCO1 ZINC000160283769 197397314 /nfs/dbraw/zinc/39/73/14/197397314.db2.gz PDIIBIDSODRPQH-MNOVXSKESA-N 1 0 302.216 2.495 10 0 DEAERO Cc1cccc(CNS(=O)(=O)c2cc(C[NH3+])ccc2C)c1 ZINC000020189401 182195643 /nfs/dbraw/zinc/19/56/43/182195643.db2.gz RKYSERCXZDXOTI-UHFFFAOYSA-N 1 0 304.415 2.241 10 0 DEAERO O[C@@H](C[NH2+]C1CC1)COc1cc(F)ccc1Br ZINC000160210118 197393141 /nfs/dbraw/zinc/39/31/41/197393141.db2.gz IKLNNSKBWXCCPA-JTQLQIEISA-N 1 0 304.159 2.080 10 0 DEAERO CC(C)NC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH3+] ZINC000020483348 182223171 /nfs/dbraw/zinc/22/31/71/182223171.db2.gz IEPGCZXGVNSDCR-SECBINFHSA-N 1 0 315.211 2.200 10 0 DEAERO Cc1ccsc1[C@@H](C[NH3+])N1CCN(c2nccs2)CC1 ZINC000020565496 182233518 /nfs/dbraw/zinc/23/35/18/182233518.db2.gz QOWWTZTYYGMDJJ-GFCCVEGCSA-N 1 0 308.476 2.335 10 0 DEAERO Cc1cccc([C@@H](C[NH3+])N2CCN(c3nccs3)CC2)c1 ZINC000022153976 182311437 /nfs/dbraw/zinc/31/14/37/182311437.db2.gz RCPZLDGRNKFELP-OAHLLOKOSA-N 1 0 302.447 2.274 10 0 DEAERO CC(C)OCC[NH+]1CCC(NC(=O)NCCCC2CC2)CC1 ZINC000530868202 284477939 /nfs/dbraw/zinc/47/79/39/284477939.db2.gz ZJAUAKZKWMOAGN-UHFFFAOYSA-N 1 0 311.470 2.365 10 0 DEAERO Cc1ccc(OCCCN2CCO[C@@H](C[NH+](C)C)C2)cc1C ZINC000155287944 291603730 /nfs/dbraw/zinc/60/37/30/291603730.db2.gz SHYARUWXTTWGIU-SFHVURJKSA-N 1 0 306.450 2.335 10 0 DEAERO COC(=O)CC1(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCC1 ZINC000456318653 247089310 /nfs/dbraw/zinc/08/93/10/247089310.db2.gz AOFDQUDKQKWZHV-GOOCMWNKSA-N 1 0 322.449 2.241 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(S(N)(=O)=O)cc1 ZINC000036954913 182854702 /nfs/dbraw/zinc/85/47/02/182854702.db2.gz CFYYGXNWYVVEQB-NEPJUHHUSA-N 1 0 305.403 2.141 10 0 DEAERO CCC[C@@H](C(=O)N1CCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC000157999678 291636361 /nfs/dbraw/zinc/63/63/61/291636361.db2.gz VQHKZORLGKVAGA-KRWDZBQOSA-N 1 0 321.440 2.200 10 0 DEAERO CCOc1cccc(CCNC(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000458579647 248383357 /nfs/dbraw/zinc/38/33/57/248383357.db2.gz QAZUVGSZFGLONF-UHFFFAOYSA-N 1 0 307.438 2.267 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1ccc(Br)c(N)c1 ZINC000040293130 183051913 /nfs/dbraw/zinc/05/19/13/183051913.db2.gz ZGCOYWUFRNKTFE-UHFFFAOYSA-N 1 0 314.227 2.103 10 0 DEAERO CC[C@@H](C)[NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000040419213 183064743 /nfs/dbraw/zinc/06/47/43/183064743.db2.gz XVQDLYCNUUHVQE-LLVKDONJSA-N 1 0 300.349 2.335 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(Cl)c3cccnc23)C1 ZINC000040634093 183111959 /nfs/dbraw/zinc/11/19/59/183111959.db2.gz FOOOJBGADONOGS-TVQRCGJNSA-N 1 0 305.765 2.204 10 0 DEAERO COc1ccc(C[NH2+][C@H]2CCCN(C)C2)cc1OC(F)F ZINC000040671648 183115628 /nfs/dbraw/zinc/11/56/28/183115628.db2.gz KRGBYTINTAYUCQ-LBPRGKRZSA-N 1 0 300.349 2.480 10 0 DEAERO CN1CCC[C@@H]([NH2+]Cc2ccc(I)o2)C1 ZINC000040672956 183116646 /nfs/dbraw/zinc/11/66/46/183116646.db2.gz KKMIKQDDLDNUKU-SECBINFHSA-N 1 0 320.174 2.068 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000040777151 183132253 /nfs/dbraw/zinc/13/22/53/183132253.db2.gz FETQUHHRXXRFRJ-KBPBESRZSA-N 1 0 316.239 2.479 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000040833566 183139520 /nfs/dbraw/zinc/13/95/20/183139520.db2.gz VPZCDKYVCFSSKE-SNVBAGLBSA-N 1 0 310.419 2.425 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000040850849 183141631 /nfs/dbraw/zinc/14/16/31/183141631.db2.gz HYNYFFDVJNESSD-SCZZXKLOSA-N 1 0 320.723 2.257 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749889 183128680 /nfs/dbraw/zinc/12/86/80/183128680.db2.gz KFODHENUVGIFKL-YHWZYXNKSA-N 1 0 314.838 2.291 10 0 DEAERO Cn1ccnc1[C@@H](NC(=O)CC[NH+](C)C)c1ccccc1Cl ZINC000041536406 183199505 /nfs/dbraw/zinc/19/95/05/183199505.db2.gz HNGRJBOBCDQOPH-HNNXBMFYSA-N 1 0 320.824 2.231 10 0 DEAERO Cc1cc(Br)ccc1NCCN1CC[NH+](C)CC1 ZINC000041563167 183202952 /nfs/dbraw/zinc/20/29/52/183202952.db2.gz SPWYUSQYKPCCSJ-UHFFFAOYSA-N 1 0 312.255 2.417 10 0 DEAERO CCN(CCO)c1c2cc(F)ccc2[nH+]c(C)c1CC(=O)OC ZINC000041478302 183193913 /nfs/dbraw/zinc/19/39/13/183193913.db2.gz CGVPWMQBNBEHFB-UHFFFAOYSA-N 1 0 320.364 2.216 10 0 DEAERO Cc1ccc(F)c(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000041664521 183213845 /nfs/dbraw/zinc/21/38/45/183213845.db2.gz YOCUXKHSLNYXKC-CYBMUJFWSA-N 1 0 321.396 2.063 10 0 DEAERO CC(C)[N@H+](C)CCCCNS(=O)(=O)c1ccc(Cl)nc1 ZINC000041678826 183216421 /nfs/dbraw/zinc/21/64/21/183216421.db2.gz MWJPZAAAPWUMQP-UHFFFAOYSA-N 1 0 319.858 2.134 10 0 DEAERO Brc1cccc(OCC[NH2+]CCn2ccnc2)c1 ZINC000042225186 183244951 /nfs/dbraw/zinc/24/49/51/183244951.db2.gz DRDKRPLDBTZFSK-UHFFFAOYSA-N 1 0 310.195 2.314 10 0 DEAERO CC[NH2+]Cc1cccc(Br)c1O[C@H]1CCOC1=O ZINC000042411760 183265943 /nfs/dbraw/zinc/26/59/43/183265943.db2.gz DZGBIDDDMUBQNU-NSHDSACASA-N 1 0 314.179 2.253 10 0 DEAERO CC(C)N(CC[NH3+])CCOc1ccc(Br)cc1 ZINC000042428507 183269491 /nfs/dbraw/zinc/26/94/91/183269491.db2.gz JBRADKGKUPYXSY-UHFFFAOYSA-N 1 0 301.228 2.497 10 0 DEAERO Nc1ccc(NC(=O)CCC[N@H+](CCO)C2CC2)c(Cl)c1 ZINC000042478411 183275477 /nfs/dbraw/zinc/27/54/77/183275477.db2.gz AQHACWRCGCRABT-UHFFFAOYSA-N 1 0 311.813 2.098 10 0 DEAERO COc1ccccc1OCC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000042551762 183283934 /nfs/dbraw/zinc/28/39/34/183283934.db2.gz UJQGJENOGHDEIQ-OAHLLOKOSA-N 1 0 320.433 2.311 10 0 DEAERO CC(C)C[N@H+](CC(=O)Nc1cccc(C(N)=S)c1)C1CC1 ZINC000042557159 183284751 /nfs/dbraw/zinc/28/47/51/183284751.db2.gz QYYFCZXGXNCFER-UHFFFAOYSA-N 1 0 305.447 2.380 10 0 DEAERO CC(C)C[C@H](CNC(=O)CCc1nc(C(C)(C)C)no1)[NH+](C)C ZINC000042588525 183288887 /nfs/dbraw/zinc/28/88/87/183288887.db2.gz NQXJTPVXWQXTQL-CYBMUJFWSA-N 1 0 324.469 2.392 10 0 DEAERO C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000042610563 183291487 /nfs/dbraw/zinc/29/14/87/183291487.db2.gz SYQQVOGESHFACX-UKRRQHHQSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CC(=O)N1CCCC1 ZINC000043052106 183333107 /nfs/dbraw/zinc/33/31/07/183333107.db2.gz DPXIIRZEMCRZRG-MLGOLLRUSA-N 1 0 309.841 2.283 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CC(=O)NC1CC1 ZINC000042945178 183319587 /nfs/dbraw/zinc/31/95/87/183319587.db2.gz WPAXAGKPHJSHCY-ZBFHGGJFSA-N 1 0 309.841 2.329 10 0 DEAERO Cn1cnnc1S[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042958964 183323807 /nfs/dbraw/zinc/32/38/07/183323807.db2.gz NCIJIMOGGWLQFD-JTQLQIEISA-N 1 0 313.224 2.370 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCN(C(C)=O)CC1 ZINC000042975054 183325272 /nfs/dbraw/zinc/32/52/72/183325272.db2.gz GEVINLHCOPPAMS-HOTGVXAUSA-N 1 0 309.841 2.283 10 0 DEAERO CNC(=O)C1CCN([C@H](c2cccc(Cl)c2)[C@@H](C)[NH3+])CC1 ZINC000043014559 183327720 /nfs/dbraw/zinc/32/77/20/183327720.db2.gz KUSQUUXOSHZWSK-ABAIWWIYSA-N 1 0 309.841 2.186 10 0 DEAERO COCCN(C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021237 183329540 /nfs/dbraw/zinc/32/95/40/183329540.db2.gz QBJUTIKQBFNLNR-MFKMUULPSA-N 1 0 301.228 2.416 10 0 DEAERO [NH3+]C[C@@H](c1cccc(Br)c1)N1CCCC[C@@H]1CO ZINC000043021096 183329816 /nfs/dbraw/zinc/32/98/16/183329816.db2.gz BQMHJVWTHMIITQ-KGLIPLIRSA-N 1 0 313.239 2.296 10 0 DEAERO CCN(CCO)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021020 183329827 /nfs/dbraw/zinc/32/98/27/183329827.db2.gz BUJXFOHGFYUNAE-MFKMUULPSA-N 1 0 301.228 2.152 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCS(=O)CC1 ZINC000043052233 183332690 /nfs/dbraw/zinc/33/26/90/183332690.db2.gz AJZUYSQENTXJLW-UONOGXRCSA-N 1 0 300.855 2.183 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCS(=O)CC1 ZINC000043052238 183333027 /nfs/dbraw/zinc/33/30/27/183333027.db2.gz AJZUYSQENTXJLW-KGLIPLIRSA-N 1 0 300.855 2.183 10 0 DEAERO Cc1sc2[nH]c(C[NH2+]C[C@H]3CCCCO3)nc(=O)c2c1C ZINC000042820913 183313002 /nfs/dbraw/zinc/31/30/02/183313002.db2.gz JPRFJUGVFBYPOC-LLVKDONJSA-N 1 0 307.419 2.260 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1sccc1C)N1CCC(CC(N)=O)CC1 ZINC000043248755 183347341 /nfs/dbraw/zinc/34/73/41/183347341.db2.gz MGTYBGLRYSDMCE-UKRRQHHQSA-N 1 0 309.479 2.422 10 0 DEAERO CCN(CC)C(=O)CN(C)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000043253549 183347747 /nfs/dbraw/zinc/34/77/47/183347747.db2.gz UUOUDFOODYUKJM-SNVBAGLBSA-N 1 0 303.859 2.202 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CCO ZINC000043286214 183350312 /nfs/dbraw/zinc/35/03/12/183350312.db2.gz FPXBEPDZUKUKFS-KOLCDFICSA-N 1 0 307.257 2.213 10 0 DEAERO C[NH2+][C@@H](c1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300628 183352665 /nfs/dbraw/zinc/35/26/65/183352665.db2.gz BNFHYUBZMDNYNK-BXKDBHETSA-N 1 0 323.336 2.280 10 0 DEAERO C[NH2+][C@H](c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300566 183352694 /nfs/dbraw/zinc/35/26/94/183352694.db2.gz DQYYQVDHDFCBBO-CMPLNLGQSA-N 1 0 307.337 2.401 10 0 DEAERO COc1ccc(Cl)c(NS(=O)(=O)CCC[NH2+]C(C)C)c1 ZINC000043318869 183354136 /nfs/dbraw/zinc/35/41/36/183354136.db2.gz NYVNLFLKNFRUDW-UHFFFAOYSA-N 1 0 320.842 2.478 10 0 DEAERO Cc1c(F)cccc1NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000043322329 183355285 /nfs/dbraw/zinc/35/52/85/183355285.db2.gz IKBVLODAFJUTPB-UHFFFAOYSA-N 1 0 300.399 2.266 10 0 DEAERO CC[C@H]([NH3+])Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000043492497 183367287 /nfs/dbraw/zinc/36/72/87/183367287.db2.gz UPWQJIYACBMVLP-NWDGAFQWSA-N 1 0 317.838 2.186 10 0 DEAERO CN(C)C(C)(C)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000043411399 183359997 /nfs/dbraw/zinc/35/99/97/183359997.db2.gz PWCRINXVJLHECU-ZDUSSCGKSA-N 1 0 315.255 2.412 10 0 DEAERO COC[C@H]1CN([C@H]2CCc3ccccc3NC2=O)CC(C)(C)O1 ZINC000284449218 218032279 /nfs/dbraw/zinc/03/22/79/218032279.db2.gz CKUBTSXKNLICGB-ZBFHGGJFSA-N 1 0 318.417 2.066 10 0 DEAERO COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCO[C@@H]1c1ccnn1C ZINC000284647854 218114425 /nfs/dbraw/zinc/11/44/25/218114425.db2.gz OODJDGTXTBBICR-RYRKJORJSA-N 1 0 315.417 2.097 10 0 DEAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329033149 296286064 /nfs/dbraw/zinc/28/60/64/296286064.db2.gz QJCBNYFQQAAWFF-BRXULGCHSA-N 1 0 304.438 2.106 10 0 DEAERO CC(C)[NH+](CCNC(=O)NC[C@@H](O)Cc1ccccc1)C(C)C ZINC000105075464 194070341 /nfs/dbraw/zinc/07/03/41/194070341.db2.gz LRJFLMRXRHFCBX-KRWDZBQOSA-N 1 0 321.465 2.008 10 0 DEAERO Cc1cccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC000105164826 194080279 /nfs/dbraw/zinc/08/02/79/194080279.db2.gz XTTGAJJMYANBRH-INIZCTEOSA-N 1 0 304.438 2.310 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)N[C@H](C)c2ccccc2)c1 ZINC000105881142 194155711 /nfs/dbraw/zinc/15/57/11/194155711.db2.gz JEZRIUSDAUJFGW-HUUCEWRRSA-N 1 0 300.406 2.047 10 0 DEAERO CCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883432 194157970 /nfs/dbraw/zinc/15/79/70/194157970.db2.gz ZIGPXIBRSRRHLI-HOTGVXAUSA-N 1 0 321.469 2.075 10 0 DEAERO CC[C@H]1CN(Cc2cc(-c3ccco3)on2)CC[N@@H+]1C[C@@H](C)O ZINC000105912976 194168456 /nfs/dbraw/zinc/16/84/56/194168456.db2.gz BWHHUNPDIYSXRN-HIFRSBDPSA-N 1 0 319.405 2.212 10 0 DEAERO COc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106425408 194211934 /nfs/dbraw/zinc/21/19/34/194211934.db2.gz UOBFEKBRBLCZTI-QGZVFWFLSA-N 1 0 312.413 2.484 10 0 DEAERO CCn1cnnc1C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000106387136 194206509 /nfs/dbraw/zinc/20/65/09/194206509.db2.gz RQYJOBSZCBWDRM-GOSISDBHSA-N 1 0 314.433 2.385 10 0 DEAERO COc1cccc([C@H]2C[C@H]2C(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000106725411 194246401 /nfs/dbraw/zinc/24/64/01/194246401.db2.gz KQMBJMKRIXUMID-IAGOWNOFSA-N 1 0 302.418 2.351 10 0 DEAERO CC(C)[NH2+]Cc1cccc(OCC(=O)NCC(F)(F)F)c1 ZINC000049309580 183724946 /nfs/dbraw/zinc/72/49/46/183724946.db2.gz ZFFNJFSOKXQKEZ-UHFFFAOYSA-N 1 0 304.312 2.242 10 0 DEAERO CCOc1cccc(NS(=O)(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000049570494 183742865 /nfs/dbraw/zinc/74/28/65/183742865.db2.gz ISAATUDJQMWUTH-CYBMUJFWSA-N 1 0 312.435 2.359 10 0 DEAERO CC[NH+](CC)CCOc1ncc(Br)cc1CO ZINC000050043931 183769185 /nfs/dbraw/zinc/76/91/85/183769185.db2.gz IZCCXUYVFKQRIO-UHFFFAOYSA-N 1 0 303.200 2.057 10 0 DEAERO CCC1CCC(C[NH3+])(N(CC)CCS(=O)(=O)CC)CC1 ZINC000050089707 183772087 /nfs/dbraw/zinc/77/20/87/183772087.db2.gz WJXVAXAGYHRIFM-UHFFFAOYSA-N 1 0 304.500 2.041 10 0 DEAERO CCCNc1ccccc1S(=O)(=O)NCCCC[NH+](C)C ZINC000050672516 183798508 /nfs/dbraw/zinc/79/85/08/183798508.db2.gz ZDIHEKNPVDIKGM-UHFFFAOYSA-N 1 0 313.467 2.129 10 0 DEAERO O=C(COc1cccc(Cl)c1)Nc1nc2c(s1)C[NH2+]CC2 ZINC000051018521 183811560 /nfs/dbraw/zinc/81/15/60/183811560.db2.gz UJKSXDBDEZSEJW-UHFFFAOYSA-N 1 0 323.805 2.460 10 0 DEAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000109463525 194265906 /nfs/dbraw/zinc/26/59/06/194265906.db2.gz QYDZWUMOTBJDOR-CQSZACIVSA-N 1 0 311.495 2.166 10 0 DEAERO c1cnn(-c2ccc(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)cc2)c1 ZINC000285446898 218442338 /nfs/dbraw/zinc/44/23/38/218442338.db2.gz YDLJLALJOWRFOZ-SFHVURJKSA-N 1 0 313.401 2.254 10 0 DEAERO CCC[C@H](C(N)=S)[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000109470287 194267206 /nfs/dbraw/zinc/26/72/06/194267206.db2.gz ZFOXXQPHBJGPML-OAHLLOKOSA-N 1 0 309.454 2.398 10 0 DEAERO O=c1ccccn1CC[NH2+]Cc1ccc(Br)s1 ZINC000110056472 194308301 /nfs/dbraw/zinc/30/83/01/194308301.db2.gz FBMRYWVYDUPGPB-UHFFFAOYSA-N 1 0 313.220 2.462 10 0 DEAERO CCC[NH2+]C[C@@H](Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000052950845 183881506 /nfs/dbraw/zinc/88/15/06/183881506.db2.gz UVISVITXFHVPGG-LSDHHAIUSA-N 1 0 313.438 2.419 10 0 DEAERO CC(C)(C)[NH2+]C[C@@H](CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000052952014 183882112 /nfs/dbraw/zinc/88/21/12/183882112.db2.gz AYOWYBFVEONUPK-LSDHHAIUSA-N 1 0 317.495 2.242 10 0 DEAERO c1csc(N2CCN(CC[NH2+]C(C3CC3)C3CC3)CC2)n1 ZINC000053345437 183899443 /nfs/dbraw/zinc/89/94/43/183899443.db2.gz AONKDGVFMILSGF-UHFFFAOYSA-N 1 0 306.479 2.043 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000110648232 194345993 /nfs/dbraw/zinc/34/59/93/194345993.db2.gz GKKFXGKBICJNBH-NSHDSACASA-N 1 0 316.854 2.396 10 0 DEAERO O[C@@H](CC[NH+]1CCC(O)CC1)c1cccc(Br)c1 ZINC000053972404 183918335 /nfs/dbraw/zinc/91/83/35/183918335.db2.gz BBHPPTOKSURTPI-AWEZNQCLSA-N 1 0 314.223 2.329 10 0 DEAERO CCOc1cc2[nH+]cc3c(c2cc1OCC)NCCNC3=O ZINC000053994707 183919227 /nfs/dbraw/zinc/91/92/27/183919227.db2.gz QUPSWARBGWIODU-UHFFFAOYSA-N 1 0 301.346 2.188 10 0 DEAERO CC[C@H]([NH3+])[C@H](SCCS(C)(=O)=O)c1ccccc1OC ZINC000111004556 194381258 /nfs/dbraw/zinc/38/12/58/194381258.db2.gz ZOAVYFBQCDCAKE-GXTWGEPZSA-N 1 0 317.476 2.251 10 0 DEAERO CCCc1nc(N(CCOC)CCOC)sc1C[NH2+]CC ZINC000055001594 183957169 /nfs/dbraw/zinc/95/71/69/183957169.db2.gz SJMCZZBEEPTXGX-UHFFFAOYSA-N 1 0 315.483 2.304 10 0 DEAERO COc1ccc(COC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000111241296 194411877 /nfs/dbraw/zinc/41/18/77/194411877.db2.gz RACBDCXVVQRMOQ-CYBMUJFWSA-N 1 0 303.280 2.280 10 0 DEAERO O=C(CCN1CCC[N@@H+](C2CC2)CC1)Nc1ccccc1F ZINC000061040894 184160452 /nfs/dbraw/zinc/16/04/52/184160452.db2.gz VLJIBRGQTBLTIA-UHFFFAOYSA-N 1 0 305.397 2.324 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000061233148 184166940 /nfs/dbraw/zinc/16/69/40/184166940.db2.gz RMTWOGSCQIYXTP-SNVBAGLBSA-N 1 0 307.785 2.105 10 0 DEAERO C[C@H](c1cccc(Cl)c1)N(C)C(=O)CN1CCC[NH2+]CC1 ZINC000061273026 184167372 /nfs/dbraw/zinc/16/73/72/184167372.db2.gz SFTJXAPPIJZCJO-CYBMUJFWSA-N 1 0 309.841 2.155 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000061273790 184167882 /nfs/dbraw/zinc/16/78/82/184167882.db2.gz GMTPWTJRHUBCRX-LLVKDONJSA-N 1 0 300.349 2.335 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000061292737 184167971 /nfs/dbraw/zinc/16/79/71/184167971.db2.gz OOVIWQJLUCEDNY-UHFFFAOYSA-N 1 0 320.361 2.010 10 0 DEAERO C[NH2+][C@](C)(CCCSc1nc2cc(C)ccc2[nH]1)C(N)=O ZINC000061440999 184170848 /nfs/dbraw/zinc/17/08/48/184170848.db2.gz WGVICGBMBFZTST-OAHLLOKOSA-N 1 0 306.435 2.207 10 0 DEAERO CCC[NH2+][C@](C)(CSc1nc2cc(C)ccc2[nH]1)C(N)=O ZINC000061440842 184170910 /nfs/dbraw/zinc/17/09/10/184170910.db2.gz UKRJZEQXTDCSEZ-OAHLLOKOSA-N 1 0 306.435 2.207 10 0 DEAERO CCCn1c(S[C@@H](c2ccc(C)o2)[C@H]([NH3+])CC)n[nH]c1=O ZINC000061594977 184176422 /nfs/dbraw/zinc/17/64/22/184176422.db2.gz OETRREZILXVHIQ-ZYHUDNBSSA-N 1 0 310.423 2.454 10 0 DEAERO CC(C)c1ncc(Cl)c(C(=O)N2CCC[C@H]2C[NH+](C)C)n1 ZINC000061644509 184180463 /nfs/dbraw/zinc/18/04/63/184180463.db2.gz LLRXAPBRXITJNX-NSHDSACASA-N 1 0 310.829 2.420 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cncc(Br)c1 ZINC000061652044 184181159 /nfs/dbraw/zinc/18/11/59/184181159.db2.gz BDGZLUOXZMEFHE-GFCCVEGCSA-N 1 0 312.211 2.010 10 0 DEAERO C[C@H]([NH3+])c1ccc(Sc2nnnn2C)c(Br)c1 ZINC000061699953 184183748 /nfs/dbraw/zinc/18/37/48/184183748.db2.gz QNKQHMVDXMCIJH-LURJTMIESA-N 1 0 314.212 2.144 10 0 DEAERO COc1ccc([C@H]([NH3+])C[C@@H](C)CC(N)=O)c(Br)c1 ZINC000061830574 184188943 /nfs/dbraw/zinc/18/89/43/184188943.db2.gz WIRPJVFZZCHNRY-PRHODGIISA-N 1 0 315.211 2.359 10 0 DEAERO C[NH2+]Cc1cc(Br)cnc1N1CCCO[C@@H](C)C1 ZINC000061935209 184196918 /nfs/dbraw/zinc/19/69/18/184196918.db2.gz CFHTZZFMGWAQHQ-JTQLQIEISA-N 1 0 314.227 2.179 10 0 DEAERO C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)C1CC[NH2+]CC1 ZINC000062027822 184202244 /nfs/dbraw/zinc/20/22/44/184202244.db2.gz MENLDMBTQDYGFT-LLVKDONJSA-N 1 0 316.854 2.415 10 0 DEAERO Cc1cc(C)c(C(N)=S)c(NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000062080410 184205067 /nfs/dbraw/zinc/20/50/67/184205067.db2.gz OJUDAFBPMJCKNT-NSHDSACASA-N 1 0 306.479 2.476 10 0 DEAERO COC(=O)c1sc2ccccc2c1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116112 184206458 /nfs/dbraw/zinc/20/64/58/184206458.db2.gz PINCBSLTTMWIQU-SECBINFHSA-N 1 0 304.371 2.236 10 0 DEAERO Brc1cccc(Cc2noc([C@H]3CC[NH2+]C3)n2)c1 ZINC000062119667 184206916 /nfs/dbraw/zinc/20/69/16/184206916.db2.gz BVWIACPUTZHYIK-JTQLQIEISA-N 1 0 308.179 2.500 10 0 DEAERO CC(C)(C)N1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc(Br)o1 ZINC000062210194 184220980 /nfs/dbraw/zinc/22/09/80/184220980.db2.gz NDBAJMCSMUVBKY-RDDDGLTNSA-N 1 0 301.184 2.441 10 0 DEAERO [NH3+]C[C@@H](c1ccccc1Br)N1CCn2ccnc2C1 ZINC000062246034 184225335 /nfs/dbraw/zinc/22/53/35/184225335.db2.gz KIPLGUFWJKYZSI-ZDUSSCGKSA-N 1 0 321.222 2.161 10 0 DEAERO CN(C)[C@H](C(=O)N1CC[NH+](CC(C)(C)C)CC1)c1ccccc1 ZINC000062455696 184237217 /nfs/dbraw/zinc/23/72/17/184237217.db2.gz DCOLSUVBTZMYMG-KRWDZBQOSA-N 1 0 317.477 2.480 10 0 DEAERO CCCN[C@@H](CC[N@H+](CCOC)C(CC)CC)C(=O)OC ZINC000062525605 184241551 /nfs/dbraw/zinc/24/15/51/184241551.db2.gz VJXNIYXLODMUBO-HNNXBMFYSA-N 1 0 302.459 2.055 10 0 DEAERO O=C(NC1CC1)N1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC000062314416 184229593 /nfs/dbraw/zinc/22/95/93/184229593.db2.gz MENIRZUBDRZNJJ-UHFFFAOYSA-N 1 0 312.417 2.200 10 0 DEAERO COCC[NH2+]Cc1c(Cl)cccc1N(CCO)C(C)C ZINC000062737600 184251927 /nfs/dbraw/zinc/25/19/27/184251927.db2.gz LBWAPRBLNOZONN-UHFFFAOYSA-N 1 0 300.830 2.283 10 0 DEAERO COC(=O)c1cc(NC(=O)C2(C)CC[NH2+]CC2)ccc1Cl ZINC000062840007 184255469 /nfs/dbraw/zinc/25/54/69/184255469.db2.gz BUJANXUNXSYNSL-UHFFFAOYSA-N 1 0 310.781 2.455 10 0 DEAERO CCC1(C)CCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)CC1 ZINC000062955455 184262400 /nfs/dbraw/zinc/26/24/00/184262400.db2.gz QUFUSXCWLPTYFT-UHFFFAOYSA-N 1 0 310.463 2.487 10 0 DEAERO CCCC1(C(=O)N(CCOC)[C@H]2CCSC2)CC[NH2+]CC1 ZINC000062849061 184256471 /nfs/dbraw/zinc/25/64/71/184256471.db2.gz AXHCUWZQVMKSCL-AWEZNQCLSA-N 1 0 314.495 2.137 10 0 DEAERO CCC[C@]1(CN2CCN(CC(F)(F)F)CC2)CCC[NH2+]C1 ZINC000062868036 184257083 /nfs/dbraw/zinc/25/70/83/184257083.db2.gz KMYXMUWOBLHIGX-AWEZNQCLSA-N 1 0 307.404 2.336 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCCc2ccccc2C1 ZINC000062946225 184262046 /nfs/dbraw/zinc/26/20/46/184262046.db2.gz RWQWXINKAWOUQB-UHFFFAOYSA-N 1 0 310.463 2.153 10 0 DEAERO C[NH2+]Cc1ccc(O[C@@H]2CCC[C@H]2O)c(Br)c1 ZINC000062700835 184247666 /nfs/dbraw/zinc/24/76/66/184247666.db2.gz QALHRGDOBHRYIF-DGCLKSJQSA-N 1 0 300.196 2.461 10 0 DEAERO C[NH2+]Cc1ccc(OCC(=O)NC(C)C)c(Br)c1 ZINC000062700973 184247752 /nfs/dbraw/zinc/24/77/52/184247752.db2.gz KLRBFJBQHJHNAP-UHFFFAOYSA-N 1 0 315.211 2.072 10 0 DEAERO Cn1cc(COc2ccc(CC[NH3+])cc2Br)cn1 ZINC000062703807 184247970 /nfs/dbraw/zinc/24/79/70/184247970.db2.gz NAGVLYPVWOYDLK-UHFFFAOYSA-N 1 0 310.195 2.263 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000063194231 184277495 /nfs/dbraw/zinc/27/74/95/184277495.db2.gz AMOBMSVNHTYLAC-BXKDBHETSA-N 1 0 320.817 2.370 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)N[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000063213463 184278392 /nfs/dbraw/zinc/27/83/92/184278392.db2.gz VAIOYIGRYXMMTH-OLZOCXBDSA-N 1 0 300.399 2.072 10 0 DEAERO C[C@@H]1[NH2+]CCCN(Cc2cc(Br)ccc2F)C1=O ZINC000063215118 184279069 /nfs/dbraw/zinc/27/90/69/184279069.db2.gz KAEUCIOXYISXKV-VIFPVBQESA-N 1 0 315.186 2.299 10 0 DEAERO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Cl)ccc1NN ZINC000063125841 184271884 /nfs/dbraw/zinc/27/18/84/184271884.db2.gz AAQXNDNCDQRJTD-UHFFFAOYSA-N 1 0 310.829 2.039 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000063138738 184273291 /nfs/dbraw/zinc/27/32/91/184273291.db2.gz WRRWHYMDHWEGHB-LBPRGKRZSA-N 1 0 302.465 2.147 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000063168976 184275585 /nfs/dbraw/zinc/27/55/85/184275585.db2.gz IUWVGQDADWEPBO-GFCCVEGCSA-N 1 0 313.804 2.492 10 0 DEAERO O=c1cc2c(nn1Cc1ccc(Cl)cc1Cl)CC[NH2+]C2 ZINC000063169767 184275590 /nfs/dbraw/zinc/27/55/90/184275590.db2.gz QPSBWSZHFQHEQC-UHFFFAOYSA-N 1 0 310.184 2.244 10 0 DEAERO O=C(NCCc1c(F)cccc1F)N1CCC[N@@H+](C2CC2)CC1 ZINC000064224596 184293062 /nfs/dbraw/zinc/29/30/62/184293062.db2.gz LKUZEZKKMCYZDP-UHFFFAOYSA-N 1 0 323.387 2.387 10 0 DEAERO COC[C@H](C)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000189806992 335045195 /nfs/dbraw/zinc/04/51/95/335045195.db2.gz PRQSTLALOAVTQA-QGZVFWFLSA-N 1 0 318.461 2.436 10 0 DEAERO CCCN(Cc1nccn1C)c1nc(CC[NH3+])nc2ccccc21 ZINC000065387237 184334013 /nfs/dbraw/zinc/33/40/13/184334013.db2.gz XWFQDNKPLWSSFR-UHFFFAOYSA-N 1 0 324.432 2.281 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)NC(C)(C)C)cc(C)c1F ZINC000159078797 197325472 /nfs/dbraw/zinc/32/54/72/197325472.db2.gz UKZDZZFFPSHGGA-UHFFFAOYSA-N 1 0 302.415 2.320 10 0 DEAERO [NH3+][C@@H]1CC(=O)N(c2ccc(OCCOc3ccccc3)cc2)C1 ZINC000066055686 184386087 /nfs/dbraw/zinc/38/60/87/184386087.db2.gz BJGJKVGRRPXIIH-CQSZACIVSA-N 1 0 312.369 2.208 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000066125370 184391043 /nfs/dbraw/zinc/39/10/43/184391043.db2.gz GLIYKLJOZLNCKQ-OAHLLOKOSA-N 1 0 321.465 2.087 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248409794 285023779 /nfs/dbraw/zinc/02/37/79/285023779.db2.gz CVDKKDNGWHQUCH-YVSFHVDLSA-N 1 0 323.481 2.317 10 0 DEAERO COCCN(CC(C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119014166 194956493 /nfs/dbraw/zinc/95/64/93/194956493.db2.gz ZHRWGXFJQOZHEZ-UHFFFAOYSA-N 1 0 313.486 2.421 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000538315511 285031426 /nfs/dbraw/zinc/03/14/26/285031426.db2.gz JRMHJUSDNJIQNA-KRWDZBQOSA-N 1 0 320.433 2.268 10 0 DEAERO CC(C)[N@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C1CCOCC1 ZINC000119638642 195007628 /nfs/dbraw/zinc/00/76/28/195007628.db2.gz BDEKUNXHRUNWDA-GFCCVEGCSA-N 1 0 308.344 2.039 10 0 DEAERO COC(=O)c1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000120142239 195105315 /nfs/dbraw/zinc/10/53/15/195105315.db2.gz ULMHOIYPQUKFNN-WFASDCNBSA-N 1 0 319.405 2.323 10 0 DEAERO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n2ncnc2n1 ZINC000270269172 208335953 /nfs/dbraw/zinc/33/59/53/208335953.db2.gz JZOWANFTBBMXOU-GDBMZVCRSA-N 1 0 308.389 2.290 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000159288618 197342871 /nfs/dbraw/zinc/34/28/71/197342871.db2.gz BGDGZGXIFMPOGF-HZPDHXFCSA-N 1 0 308.397 2.225 10 0 DEAERO [NH3+]C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)C1CC1 ZINC000159279811 197342226 /nfs/dbraw/zinc/34/22/26/197342226.db2.gz FFIJRDKHVJMSSF-RDBSUJKOSA-N 1 0 323.234 2.406 10 0 DEAERO CC[NH2+]Cc1cccc(Cl)c1O[C@H]1CCS(=O)(=O)C1 ZINC000159152788 197331014 /nfs/dbraw/zinc/33/10/14/197331014.db2.gz YUIDJYQHFSGOBO-NSHDSACASA-N 1 0 303.811 2.015 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCC1(Cc2ccccc2)CC1 ZINC000159123661 197329541 /nfs/dbraw/zinc/32/95/41/197329541.db2.gz MEYDJMBIYUQKOO-INIZCTEOSA-N 1 0 301.434 2.403 10 0 DEAERO Cc1cc(S(=O)(=O)NC2CCC2)cc(C[NH2+]C2CC2)c1F ZINC000159106147 197327346 /nfs/dbraw/zinc/32/73/46/197327346.db2.gz ZISKZKWJWSMXGE-UHFFFAOYSA-N 1 0 312.410 2.217 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCc2nc(C(C)(C)C)no2)[C@@H](C)C1 ZINC000158959468 197313925 /nfs/dbraw/zinc/31/39/25/197313925.db2.gz IQZIHDMBSPCWPG-STQMWFEESA-N 1 0 322.453 2.145 10 0 DEAERO O=C1NCCCC[C@H]1[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000120226576 195122935 /nfs/dbraw/zinc/12/29/35/195122935.db2.gz ZAULRHSNHMTXEP-MRXNPFEDSA-N 1 0 306.381 2.338 10 0 DEAERO CC(C)(C)c1ccc(S(=O)(=O)C[C@@H]([NH3+])[C@@H]2CCOC2)cc1 ZINC000158771285 197300229 /nfs/dbraw/zinc/30/02/29/197300229.db2.gz MCNIHVAMZNZRCR-IUODEOHRSA-N 1 0 311.447 2.122 10 0 DEAERO CC[NH2+]Cc1ccccc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000158767236 197300347 /nfs/dbraw/zinc/30/03/47/197300347.db2.gz ZKUQYBIMTCPBLV-GJZGRUSLSA-N 1 0 308.447 2.217 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc(C[NH3+])c1F ZINC000158761579 197299216 /nfs/dbraw/zinc/29/92/16/197299216.db2.gz ZNGGSEMMSBQQJE-VXGBXAGGSA-N 1 0 312.410 2.013 10 0 DEAERO CCc1ccc(C[NH3+])cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000158753219 197298645 /nfs/dbraw/zinc/29/86/45/197298645.db2.gz CIGOMCGMIUKRCV-GJZGRUSLSA-N 1 0 308.447 2.128 10 0 DEAERO CCc1nn(C)c2c1nc(S)n2[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158614728 197289101 /nfs/dbraw/zinc/28/91/01/197289101.db2.gz IPESPAPLEHPUFY-GHMZBOCLSA-N 1 0 305.451 2.420 10 0 DEAERO CC(C)CO[C@@H]1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000158618536 197288699 /nfs/dbraw/zinc/28/86/99/197288699.db2.gz YQGKPABRTDSZGN-HZPDHXFCSA-N 1 0 313.486 2.419 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC000158450585 197273209 /nfs/dbraw/zinc/27/32/09/197273209.db2.gz OYBOGNQBHDKNRW-STQMWFEESA-N 1 0 300.399 2.025 10 0 DEAERO COCCn1ncc(Br)c1[C@@H]([NH3+])c1ccsc1 ZINC000158410933 197269939 /nfs/dbraw/zinc/26/99/39/197269939.db2.gz FTRUNCKNBPAONS-JTQLQIEISA-N 1 0 316.224 2.402 10 0 DEAERO C[N@H+](CCCC(=O)Nc1ccc(Cl)cc1N)[C@H]1CCOC1 ZINC000158208883 197253429 /nfs/dbraw/zinc/25/34/29/197253429.db2.gz MDHSTGUKUOICGS-LBPRGKRZSA-N 1 0 311.813 2.362 10 0 DEAERO C[C@H]1OCC[C@@H]1[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1N ZINC000158153472 197248390 /nfs/dbraw/zinc/24/83/90/197248390.db2.gz HLOPEEOSHWFQRO-YGRLFVJLSA-N 1 0 311.813 2.360 10 0 DEAERO C[C@H](CCO)NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000157986208 197232738 /nfs/dbraw/zinc/23/27/38/197232738.db2.gz UFSXISJHSOQMLR-WBVHZDCISA-N 1 0 319.449 2.111 10 0 DEAERO O=C(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1cccc(Cl)c1 ZINC000157968480 197231055 /nfs/dbraw/zinc/23/10/55/197231055.db2.gz YCEVSTMYWFCDIK-DZGCQCFKSA-N 1 0 307.825 2.495 10 0 DEAERO Cc1cnc(CC[N@@H+](C)Cc2cc(=O)n3ccsc3n2)s1 ZINC000157818678 197217544 /nfs/dbraw/zinc/21/75/44/197217544.db2.gz FYYIZZVGIOSYMX-UHFFFAOYSA-N 1 0 320.443 2.195 10 0 DEAERO C[C@](F)(Cc1cncc(Br)c1)C[C@@H]1COCC[NH2+]1 ZINC000157668692 197206577 /nfs/dbraw/zinc/20/65/77/197206577.db2.gz BCKRHLCLXSHDOM-OLZOCXBDSA-N 1 0 317.202 2.493 10 0 DEAERO CC(C)OCC[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000157733697 197212277 /nfs/dbraw/zinc/21/22/77/197212277.db2.gz JRXDTHWNYXTAGS-UHFFFAOYSA-N 1 0 315.211 2.402 10 0 DEAERO CC[NH+](CC)C(C)(C)[C@H](O)c1c(Br)cnn1C ZINC000157591376 197199626 /nfs/dbraw/zinc/19/96/26/197199626.db2.gz IGTZSBAZHXBFQX-LLVKDONJSA-N 1 0 304.232 2.336 10 0 DEAERO CCCN[C@@](C)(C[C@H](C)[N@H+](C)CCOCC)C(=O)OCC ZINC000157474326 197190334 /nfs/dbraw/zinc/19/03/34/197190334.db2.gz OWVMEWMTOGJCAC-HOCLYGCPSA-N 1 0 302.459 2.055 10 0 DEAERO COC(=O)[C@](C)(CCC[N@H+](C)CCOC(C)C)NC(C)C ZINC000157525061 197193569 /nfs/dbraw/zinc/19/35/69/197193569.db2.gz QNLPYJFNRCIUQA-INIZCTEOSA-N 1 0 302.459 2.053 10 0 DEAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCCCC(F)(F)F)C1(C)C ZINC000157513293 197193271 /nfs/dbraw/zinc/19/32/71/197193271.db2.gz ZDFUTQLWRFUVPE-ZWNOBZJWSA-N 1 0 310.360 2.368 10 0 DEAERO O=C1NCCCC[C@@H]1[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000120325873 195143373 /nfs/dbraw/zinc/14/33/73/195143373.db2.gz RDUQQWPQFYOMSP-IRXDYDNUSA-N 1 0 320.408 2.240 10 0 DEAERO NNc1[nH+]cc(Br)cc1C(=O)NCCCC1CC1 ZINC000157157115 197166671 /nfs/dbraw/zinc/16/66/71/197166671.db2.gz BKRQHISIOCSFGZ-UHFFFAOYSA-N 1 0 313.199 2.050 10 0 DEAERO O=[S@@](C[C@@H]1CCC[NH2+]C1)c1nc2ccccc2nc1Cl ZINC000095069779 285191129 /nfs/dbraw/zinc/19/11/29/285191129.db2.gz KXRAJQIWDMERPB-CFMSYZGJSA-N 1 0 309.822 2.390 10 0 DEAERO Cc1cc2sc(C(=O)N3CCC[C@@H]([NH3+])C3)c(N)c2c(C)n1 ZINC000157011430 197155523 /nfs/dbraw/zinc/15/55/23/197155523.db2.gz DQOWKCNXORDXMH-SNVBAGLBSA-N 1 0 304.419 2.059 10 0 DEAERO Cc1cc(C)nc(NS(=O)(=O)Cc2ccc(C[NH3+])cc2)c1 ZINC000156940243 197152025 /nfs/dbraw/zinc/15/20/25/197152025.db2.gz FMGBBGPVCFQIHM-UHFFFAOYSA-N 1 0 305.403 2.099 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1C(=O)CC1CC1 ZINC000156862725 197145611 /nfs/dbraw/zinc/14/56/11/197145611.db2.gz RQYFVSRVKAVKNF-UHFFFAOYSA-N 1 0 300.200 2.190 10 0 DEAERO C[C@@](O)(Cc1sccc1Br)C[C@H]1COCC[NH2+]1 ZINC000156858832 197145740 /nfs/dbraw/zinc/14/57/40/197145740.db2.gz CVLMZVIERRRRQC-CABZTGNLSA-N 1 0 320.252 2.183 10 0 DEAERO C[C@@](O)(C[C@H]1COCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000156842225 197144390 /nfs/dbraw/zinc/14/43/90/197144390.db2.gz OJGJWIFXCXCXMK-GXFFZTMASA-N 1 0 305.296 2.171 10 0 DEAERO C[C@](O)(Cc1ccccc1Br)C[C@@H]1COCC[NH2+]1 ZINC000156802932 197142546 /nfs/dbraw/zinc/14/25/46/197142546.db2.gz MOLLLXGQRMEHAS-OCCSQVGLSA-N 1 0 314.223 2.121 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000189706962 533145338 /nfs/dbraw/zinc/14/53/38/533145338.db2.gz ZJQVJRITQTYVLF-KBPBESRZSA-N 1 0 320.437 2.182 10 0 DEAERO O[C@@H](C[NH2+]C[C@H]1CCCCS1)c1ccc2c(c1)OCCO2 ZINC000156455311 197114450 /nfs/dbraw/zinc/11/44/50/197114450.db2.gz YAPTTYPKTMYYGS-KGLIPLIRSA-N 1 0 309.431 2.367 10 0 DEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)NC[C@H]2CCCCS2)cc1 ZINC000156469875 197116614 /nfs/dbraw/zinc/11/66/14/197116614.db2.gz IAHDJPNFEDHODL-WCQYABFASA-N 1 0 314.476 2.270 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2cccc3ccccc32)[C@H](C)C[NH2+]1 ZINC000156185061 197092572 /nfs/dbraw/zinc/09/25/72/197092572.db2.gz JLPUZXCDOGSSLB-CHWSQXEVSA-N 1 0 304.415 2.211 10 0 DEAERO [NH3+]Cc1ccc([C@H](O)C[S@](=O)c2ccc(F)c(F)c2)cc1 ZINC000155991109 197079390 /nfs/dbraw/zinc/07/93/90/197079390.db2.gz AFWMODXZJWCLRR-QVKFZJNVSA-N 1 0 311.353 2.265 10 0 DEAERO CC1=NN(c2ccc(C(=O)N3[C@@H](C)C[NH+](C)C[C@@H]3C)cc2)CC1 ZINC000155594045 197069998 /nfs/dbraw/zinc/06/99/98/197069998.db2.gz VZFPSBSQEFIUQK-GJZGRUSLSA-N 1 0 314.433 2.437 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000155474979 197058474 /nfs/dbraw/zinc/05/84/74/197058474.db2.gz IQNBVKSMMYTMLZ-QMMMGPOBSA-N 1 0 322.356 2.007 10 0 DEAERO CCC[C@@H](C(=O)NCc1nc2cccc(C)c2n1C)[NH+](C)C ZINC000155417485 197053460 /nfs/dbraw/zinc/05/34/60/197053460.db2.gz BXDGMECMUHXWDI-AWEZNQCLSA-N 1 0 302.422 2.228 10 0 DEAERO COc1c(C)cc(CN(C)C(=O)C2(OC)CC[NH2+]CC2)cc1C ZINC000154990636 197011186 /nfs/dbraw/zinc/01/11/86/197011186.db2.gz ZMXXJEIHOVMYCM-UHFFFAOYSA-N 1 0 320.433 2.039 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000154356674 196960475 /nfs/dbraw/zinc/96/04/75/196960475.db2.gz VSRYTVUZNBVQGS-AWEZNQCLSA-N 1 0 314.838 2.023 10 0 DEAERO Cc1ccc([C@H](CNC(=O)c2cccc3ncnn32)[NH+](C)C)cc1 ZINC000542938929 285264706 /nfs/dbraw/zinc/26/47/06/285264706.db2.gz DNIIBDPELNKKMK-INIZCTEOSA-N 1 0 323.400 2.070 10 0 DEAERO Cc1nc(CCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)sc1C ZINC000120687054 195217382 /nfs/dbraw/zinc/21/73/82/195217382.db2.gz KANMQQKNMCCUPC-AWEZNQCLSA-N 1 0 322.478 2.182 10 0 DEAERO O[C@@H](C[N@H+](CCc1ccccc1)[C@H]1CCOC1)C(F)(F)F ZINC000248395031 285300346 /nfs/dbraw/zinc/30/03/46/285300346.db2.gz NZIJRNZVRGOPDT-KBPBESRZSA-N 1 0 303.324 2.243 10 0 DEAERO Cc1ccc(C[N@@H+]2C[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)o1 ZINC000248104908 257109188 /nfs/dbraw/zinc/10/91/88/257109188.db2.gz OYZXYZDCAPHPJP-PVAVHDDUSA-N 1 0 318.417 2.190 10 0 DEAERO Cc1noc([C@@H]2C[C@@H]3C[N@H+](Cc4c(C)noc4C)CC[C@H]3O2)n1 ZINC000248031802 257111098 /nfs/dbraw/zinc/11/10/98/257111098.db2.gz PWHXSKXDCQXAFG-YUELXQCFSA-N 1 0 318.377 2.335 10 0 DEAERO Cc1cc(C)cc(C[N@H+]2C[C@H]3COC[C@@]3(CC(=O)N(C)C)C2)c1 ZINC000248007682 257111889 /nfs/dbraw/zinc/11/18/89/257111889.db2.gz OWBQVFSPFZHEOJ-PKOBYXMFSA-N 1 0 316.445 2.230 10 0 DEAERO Cc1nc(CN2CCO[C@H]3C[N@H+](CC4CC4)CC[C@H]3C2)cs1 ZINC000247949756 257112886 /nfs/dbraw/zinc/11/28/86/257112886.db2.gz JNNNMORRNUHGNC-RDJZCZTQSA-N 1 0 321.490 2.384 10 0 DEAERO COc1cc(N2C[C@@H]3CCC[C@H](C[NH+]4CCCC4)[C@@H]3C2)ncn1 ZINC000247923074 257114490 /nfs/dbraw/zinc/11/44/90/257114490.db2.gz YNLPIRCFYXNOEB-PMPSAXMXSA-N 1 0 316.449 2.434 10 0 DEAERO Cc1cccc(C[N@@H+]2CC[C@@H]3C[C@@H](C(=O)NC4CC4)O[C@H]3C2)c1 ZINC000247894247 257115662 /nfs/dbraw/zinc/11/56/62/257115662.db2.gz GOMWXRTUDCGHKE-NJAFHUGGSA-N 1 0 314.429 2.253 10 0 DEAERO COCCN1CC[C@@]2(C[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000247828430 257117585 /nfs/dbraw/zinc/11/75/85/257117585.db2.gz GUSDRAAMRQWOGB-YJBOKZPZSA-N 1 0 302.418 2.003 10 0 DEAERO O=C(NCc1ccco1)[C@@H]1Cn2cccc2C[N@@H+](C2CCC2)C1 ZINC000247462900 257119326 /nfs/dbraw/zinc/11/93/26/257119326.db2.gz BNYADNQTWVWTAV-CQSZACIVSA-N 1 0 313.401 2.382 10 0 DEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1COCc1ccccc1 ZINC000056958702 257128961 /nfs/dbraw/zinc/12/89/61/257128961.db2.gz JCGBMAPLKMXMKO-HNNXBMFYSA-N 1 0 306.406 2.412 10 0 DEAERO Cc1ccc(F)c(NS(=O)(=O)CC2CC[NH2+]CC2)c1F ZINC000122300767 195431391 /nfs/dbraw/zinc/43/13/91/195431391.db2.gz WVCGAIMJZQOPDX-UHFFFAOYSA-N 1 0 304.362 2.015 10 0 DEAERO COc1c(C)cc(Br)c(C)c1[C@H]([NH3+])CCC(N)=O ZINC000124742824 195674358 /nfs/dbraw/zinc/67/43/58/195674358.db2.gz WUMKDFDJRWQRRO-SNVBAGLBSA-N 1 0 315.211 2.340 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)CCSC)cc1 ZINC000124135322 195607486 /nfs/dbraw/zinc/60/74/86/195607486.db2.gz IMJLVLPZNMKBMR-LBPRGKRZSA-N 1 0 316.492 2.341 10 0 DEAERO Cc1ccc2oc(N3CC[NH+](CCC4OCCO4)CC3)nc2c1 ZINC000124170975 195611590 /nfs/dbraw/zinc/61/15/90/195611590.db2.gz WLOWKWQAANNBIG-UHFFFAOYSA-N 1 0 317.389 2.021 10 0 DEAERO [NH3+][C@@H]1CSCc2c(Br)cc3c(c21)OCCO3 ZINC000125453287 195751816 /nfs/dbraw/zinc/75/18/16/195751816.db2.gz LOWCEPWDLKNAET-MRVPVSSYSA-N 1 0 302.193 2.467 10 0 DEAERO Cc1ccc(Cl)c(S(=O)(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000126469902 195841706 /nfs/dbraw/zinc/84/17/06/195841706.db2.gz GYTGVOQYBYPKOX-UHFFFAOYSA-N 1 0 316.854 2.363 10 0 DEAERO COCCOCCn1c(N)[nH+]c2cc(C(F)(F)F)ccc21 ZINC000128148350 195940289 /nfs/dbraw/zinc/94/02/89/195940289.db2.gz CJOUDZZEACJPOD-UHFFFAOYSA-N 1 0 303.284 2.300 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[C@H](C)C1 ZINC000129562483 285389466 /nfs/dbraw/zinc/38/94/66/285389466.db2.gz VGAWKNQJQDYBKH-CWVYHPPDSA-N 1 0 323.481 2.172 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c(Cl)cc1F ZINC000237792292 291980303 /nfs/dbraw/zinc/98/03/03/291980303.db2.gz XPRKIYBJADTARY-SKDRFNHKSA-N 1 0 320.817 2.193 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000562450596 291985929 /nfs/dbraw/zinc/98/59/29/291985929.db2.gz RQTUZAQEYVUIRW-ICSRJNTNSA-N 1 0 321.424 2.326 10 0 DEAERO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000340466421 131834917 /nfs/dbraw/zinc/83/49/17/131834917.db2.gz YWIAXVYROLQVKJ-RYUDHWBXSA-N 1 0 302.415 2.336 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000174134951 132507432 /nfs/dbraw/zinc/50/74/32/132507432.db2.gz ZCERUQGHCORLKH-KRWDZBQOSA-N 1 0 317.408 2.262 10 0 DEAERO CCOc1cccnc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000175922942 132516574 /nfs/dbraw/zinc/51/65/74/132516574.db2.gz UOWDOZGGPDYUKR-CQSZACIVSA-N 1 0 305.422 2.475 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)NCC2CC[NH+](C)CC2)s1 ZINC000176346261 132518852 /nfs/dbraw/zinc/51/88/52/132518852.db2.gz YNAZXOXICNTHJN-LLVKDONJSA-N 1 0 311.451 2.231 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)s1 ZINC000246112549 132576854 /nfs/dbraw/zinc/57/68/54/132576854.db2.gz IIWGVIGDJKUTKZ-GXFFZTMASA-N 1 0 316.492 2.468 10 0 DEAERO C[C@H]1CCc2c(-c3nc([C@H]4C[NH2+]CCN4C)no3)csc2C1 ZINC000263312538 132581378 /nfs/dbraw/zinc/58/13/78/132581378.db2.gz YXPISMVDXVUCEP-GXFFZTMASA-N 1 0 318.446 2.499 10 0 DEAERO CC1CC[NH+](CCNC(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000357608135 133088226 /nfs/dbraw/zinc/08/82/26/133088226.db2.gz LISSDTKDNKQNSU-UHFFFAOYSA-N 1 0 315.421 2.094 10 0 DEAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000357867752 133106323 /nfs/dbraw/zinc/10/63/23/133106323.db2.gz NWHYNVJDZVEUNO-TZMCWYRMSA-N 1 0 309.458 2.069 10 0 DEAERO C[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)c1ccsc1 ZINC000358144063 133123834 /nfs/dbraw/zinc/12/38/34/133123834.db2.gz VKEYMGCPAUISOT-AWEZNQCLSA-N 1 0 321.490 2.343 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]CCN2CCN(C(=O)C3CCC3)CC2)o1 ZINC000358142353 133124300 /nfs/dbraw/zinc/12/43/00/133124300.db2.gz QTDWPQKQAGYIFX-OAHLLOKOSA-N 1 0 319.449 2.183 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(F)c1 ZINC000358197727 133127719 /nfs/dbraw/zinc/12/77/19/133127719.db2.gz GBVYXRGHEFBPQJ-BLLLJJGKSA-N 1 0 306.381 2.256 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(F)cc2OC(F)F)C1 ZINC000362903700 133258183 /nfs/dbraw/zinc/25/81/83/133258183.db2.gz HGYNPXCMDHMFMK-SNVBAGLBSA-N 1 0 316.323 2.499 10 0 DEAERO Cn1nccc1CC[N@@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000368539961 133277189 /nfs/dbraw/zinc/27/71/89/133277189.db2.gz QXBDTPMLQUIUQR-KRWDZBQOSA-N 1 0 324.428 2.387 10 0 DEAERO Cc1csc(NC2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000377358237 133327197 /nfs/dbraw/zinc/32/71/97/133327197.db2.gz FWMJRWLFAQVZFH-UHFFFAOYSA-N 1 0 310.467 2.195 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)CCO1 ZINC000372948777 133371402 /nfs/dbraw/zinc/37/14/02/133371402.db2.gz MDZGHJIORFYRMY-QWHCGFSZSA-N 1 0 305.422 2.275 10 0 DEAERO COCC[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000053498967 134769656 /nfs/dbraw/zinc/76/96/56/134769656.db2.gz OMEKHCYQCXZTPF-UHFFFAOYSA-N 1 0 311.857 2.088 10 0 DEAERO CC[NH2+]C[C@H]1CCCCN1c1ccccc1S(=O)(=O)CC ZINC000053698329 134770083 /nfs/dbraw/zinc/77/00/83/134770083.db2.gz IWCHMXRFIIHHBZ-CQSZACIVSA-N 1 0 310.463 2.449 10 0 DEAERO c1ccc(CN2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)nc1 ZINC000563270917 292043200 /nfs/dbraw/zinc/04/32/00/292043200.db2.gz FVFMDZLHQIFXSM-UHFFFAOYSA-N 1 0 322.456 2.045 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cncc(Br)c1 ZINC000563446686 292057917 /nfs/dbraw/zinc/05/79/17/292057917.db2.gz XGCPCGTZNATJPS-SBMIAAHKSA-N 1 0 312.211 2.162 10 0 DEAERO c1ccc(CN2CC[C@@H]([NH2+]C[C@H]3COCCO3)CC23CC3)cc1 ZINC000564958423 292123283 /nfs/dbraw/zinc/12/32/83/292123283.db2.gz HXNBOZCRMHSUAF-MSOLQXFVSA-N 1 0 316.445 2.189 10 0 DEAERO CN(C)c1nc(CN2CCC(CCC[NH+](C)C)CC2)ns1 ZINC000123680907 144702158 /nfs/dbraw/zinc/70/21/58/144702158.db2.gz SWAWDIAATBUBPP-UHFFFAOYSA-N 1 0 311.499 2.158 10 0 DEAERO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)n1 ZINC000173945464 144853939 /nfs/dbraw/zinc/85/39/39/144853939.db2.gz FANDYZCETSCOGJ-CYBMUJFWSA-N 1 0 317.393 2.407 10 0 DEAERO O[C@@H]1[C@H](C[NH2+][C@@H]2CCC23CCOCC3)CCC12CCOCC2 ZINC000549625814 285850794 /nfs/dbraw/zinc/85/07/94/285850794.db2.gz JJTCMFGBIXTKFJ-ARFHVFGLSA-N 1 0 309.450 2.103 10 0 DEAERO CCOc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1OC ZINC000186497945 144983906 /nfs/dbraw/zinc/98/39/06/144983906.db2.gz QIBNJMZMNONXLA-CQSZACIVSA-N 1 0 318.417 2.451 10 0 DEAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000186696965 144987589 /nfs/dbraw/zinc/98/75/89/144987589.db2.gz 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C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249824337 145191250 /nfs/dbraw/zinc/19/12/50/145191250.db2.gz JEVGLKVLJLCFQO-RYUDHWBXSA-N 1 0 310.344 2.039 10 0 DEAERO CCC[C@@H](CC)NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000250204656 145193157 /nfs/dbraw/zinc/19/31/57/145193157.db2.gz PWBNPGAFHZHLHW-LSDHHAIUSA-N 1 0 311.470 2.460 10 0 DEAERO CO[C@@H]1CN([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC[C@@H]1C ZINC000252015760 145198474 /nfs/dbraw/zinc/19/84/74/145198474.db2.gz YEEDVNVVEKVDPX-MELADBBJSA-N 1 0 308.426 2.148 10 0 DEAERO O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1nccs1 ZINC000252692394 145200133 /nfs/dbraw/zinc/20/01/33/145200133.db2.gz BGXJZWWQMWENNP-GXTWGEPZSA-N 1 0 320.462 2.030 10 0 DEAERO Cc1nn(C)c(CN2CC[C@@H]([NH3+])C(C)(C)C2)c1Br ZINC000261578402 145208530 /nfs/dbraw/zinc/20/85/30/145208530.db2.gz OXFDKNJAIVMVNZ-LLVKDONJSA-N 1 0 315.259 2.050 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000261604408 145209899 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[NH3+]C1(c2noc(-c3cc(N4CCCC4=O)ccc3F)n2)CCC1 ZINC000261754945 145222988 /nfs/dbraw/zinc/22/29/88/145222988.db2.gz MBDRCYANDTWBIY-UHFFFAOYSA-N 1 0 316.336 2.340 10 0 DEAERO CC1(C)CN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000261775454 145225271 /nfs/dbraw/zinc/22/52/71/145225271.db2.gz SOBAXCMVPPIIQT-CVEARBPZSA-N 1 0 319.424 2.205 10 0 DEAERO Cc1nn(-c2ccccc2)cc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261801759 145227968 /nfs/dbraw/zinc/22/79/68/145227968.db2.gz HAVQWOQRNXUYPU-INIZCTEOSA-N 1 0 312.417 2.380 10 0 DEAERO C[C@H](Oc1ccccc1)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261819917 145230619 /nfs/dbraw/zinc/23/06/19/145230619.db2.gz XSKMRSWSLKANQE-INIZCTEOSA-N 1 0 312.413 2.484 10 0 DEAERO COc1ccc(OC)c([C@H](C)NC(=O)c2ccnc(C[NH3+])c2)c1 ZINC000261844132 145232412 /nfs/dbraw/zinc/23/24/12/145232412.db2.gz YWYMRDWFNAIGBU-NSHDSACASA-N 1 0 315.373 2.049 10 0 DEAERO CCC(=O)Nc1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000261851504 145233630 /nfs/dbraw/zinc/23/36/30/145233630.db2.gz QMCIFGXHROKTPE-GASCZTMLSA-N 1 0 315.417 2.107 10 0 DEAERO C[C@@H]1CCN(c2cc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)ccn2)C1 ZINC000261857648 145234660 /nfs/dbraw/zinc/23/46/60/145234660.db2.gz MXNJWOMILQIKID-HIFRSBDPSA-N 1 0 316.449 2.127 10 0 DEAERO C[C@@H]1CCN(C(=O)Cc2cccc(OC(F)F)c2)[C@@H](C[NH3+])C1 ZINC000261896290 145238448 /nfs/dbraw/zinc/23/84/48/145238448.db2.gz VSWHLUKHEPMTNR-DGCLKSJQSA-N 1 0 312.360 2.416 10 0 DEAERO C[C@H]1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000261915555 145241054 /nfs/dbraw/zinc/24/10/54/145241054.db2.gz YCQGZLQBWODVBI-WMLDXEAASA-N 1 0 312.417 2.001 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ncnc2c1cnn2-c1ccccc1 ZINC000261916857 145241588 /nfs/dbraw/zinc/24/15/88/145241588.db2.gz RANCWMVCBQLVKJ-IUODEOHRSA-N 1 0 308.389 2.368 10 0 DEAERO Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261920660 145241753 /nfs/dbraw/zinc/24/17/53/145241753.db2.gz KGEUCMOCEBBGES-RCCFBDPRSA-N 1 0 304.434 2.121 10 0 DEAERO Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261920658 145241782 /nfs/dbraw/zinc/24/17/82/145241782.db2.gz KGEUCMOCEBBGES-KZNAEPCWSA-N 1 0 304.434 2.121 10 0 DEAERO COc1c(C)cc(CN(C)C(=O)C2(C[NH3+])CCOCC2)cc1C ZINC000261925503 145242725 /nfs/dbraw/zinc/24/27/25/145242725.db2.gz LADPRJDPXSPUIK-UHFFFAOYSA-N 1 0 320.433 2.026 10 0 DEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c(F)c1 ZINC000261933508 145244295 /nfs/dbraw/zinc/24/42/95/145244295.db2.gz LZVLFZCQKRHUGS-UAGQMJEPSA-N 1 0 308.397 2.081 10 0 DEAERO c1cc2c(c(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)c1)NCC2 ZINC000261944827 145244664 /nfs/dbraw/zinc/24/46/64/145244664.db2.gz NDUOVJLZRADSNQ-QGZVFWFLSA-N 1 0 302.418 2.425 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000261971970 145248557 /nfs/dbraw/zinc/24/85/57/145248557.db2.gz QFLHHNLWQNIEBH-KCQAQPDRSA-N 1 0 307.413 2.062 10 0 DEAERO Cc1cccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000261983535 145249915 /nfs/dbraw/zinc/24/99/15/145249915.db2.gz ASIWEZPAVYQBTK-RLFYNMQTSA-N 1 0 302.418 2.144 10 0 DEAERO CC1(C)CN(C(=O)c2cc3c(c(Cl)c2)OCO3)CC[C@H]1[NH3+] ZINC000261989578 145251343 /nfs/dbraw/zinc/25/13/43/145251343.db2.gz MSRDOZOUEFIDGU-GFCCVEGCSA-N 1 0 310.781 2.268 10 0 DEAERO Cc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)sc1C ZINC000262027535 145254291 /nfs/dbraw/zinc/25/42/91/145254291.db2.gz XECILDNLGXITGR-RBSFLKMASA-N 1 0 309.479 2.049 10 0 DEAERO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@H]1c1ccccc1OC(F)F ZINC000262043579 145256260 /nfs/dbraw/zinc/25/62/60/145256260.db2.gz SXCKPPZRCNBIHI-DRZSPHRISA-N 1 0 310.344 2.260 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1OC[C@H]1CCCCO1)C1C[NH2+]C1 ZINC000262052340 145257242 /nfs/dbraw/zinc/25/72/42/145257242.db2.gz HOMFCLFMZGMPQG-DZGCQCFKSA-N 1 0 318.417 2.429 10 0 DEAERO COc1ccc(Cl)cc1CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262054992 145257625 /nfs/dbraw/zinc/25/76/25/145257625.db2.gz REQJEEMNQRULSK-CQSZACIVSA-N 1 0 310.825 2.477 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)Cc2ccc(Br)s2)C1 ZINC000262064585 145258503 /nfs/dbraw/zinc/25/85/03/145258503.db2.gz RXUGYJGUONWZGD-GFCCVEGCSA-N 1 0 317.252 2.250 10 0 DEAERO C[C@]1(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000262085368 145260863 /nfs/dbraw/zinc/26/08/63/145260863.db2.gz UGRKNFZUWSIEQX-RDJZCZTQSA-N 1 0 320.412 2.021 10 0 DEAERO C[C@H](CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1)NC(=O)C1CCCCC1 ZINC000262108965 145262204 /nfs/dbraw/zinc/26/22/04/145262204.db2.gz VOWWONUXTCDAQC-HIFRSBDPSA-N 1 0 323.481 2.047 10 0 DEAERO CC1(C)CN(C(=O)c2cc(-c3cccs3)n[nH]2)CC[C@H]1[NH3+] ZINC000262113358 145263153 /nfs/dbraw/zinc/26/31/53/145263153.db2.gz VVRJLVPWVQXFJP-CYBMUJFWSA-N 1 0 304.419 2.338 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000262166214 145267735 /nfs/dbraw/zinc/26/77/35/145267735.db2.gz YFRZEXPXLZMZDY-CQSZACIVSA-N 1 0 316.323 2.325 10 0 DEAERO C[C@@]1(C[NH3+])CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 ZINC000262190973 145268243 /nfs/dbraw/zinc/26/82/43/145268243.db2.gz ZQUWJHZMDOHSGZ-INIZCTEOSA-N 1 0 306.793 2.313 10 0 DEAERO Cc1cccc(C)c1NC(=O)CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000262227340 145269955 /nfs/dbraw/zinc/26/99/55/145269955.db2.gz NKRRLZGAFFTEDO-QGZVFWFLSA-N 1 0 324.428 2.283 10 0 DEAERO COc1ccc(C2(NC(=O)[C@H](C)C3C[NH2+]C3)CCCC2)cc1 ZINC000262217155 145270150 /nfs/dbraw/zinc/27/01/50/145270150.db2.gz OTXJQVXTKSMLJO-CYBMUJFWSA-N 1 0 302.418 2.436 10 0 DEAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1nc(C(C)C)no1 ZINC000262276168 145272597 /nfs/dbraw/zinc/27/25/97/145272597.db2.gz TVCVJUUMUFPRFZ-CQSZACIVSA-N 1 0 316.405 2.348 10 0 DEAERO CC(C)C(=O)Nc1ccc(N[C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000262298428 145274532 /nfs/dbraw/zinc/27/45/32/145274532.db2.gz OFGKJVBPSJSZJU-BBRMVZONSA-N 1 0 305.422 2.460 10 0 DEAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(C2CCCCC2)cc1 ZINC000262320335 145276403 /nfs/dbraw/zinc/27/64/03/145276403.db2.gz RHDPJPRZAVSCRH-IAGOWNOFSA-N 1 0 302.418 2.044 10 0 DEAERO Cc1cc(Br)ccc1CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262352994 145278790 /nfs/dbraw/zinc/27/87/90/145278790.db2.gz GMVGQRYEOOBBPH-JTQLQIEISA-N 1 0 311.223 2.229 10 0 DEAERO COc1cc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc(OC)c1C ZINC000262462247 145284750 /nfs/dbraw/zinc/28/47/50/145284750.db2.gz IQQCNNKNORZNRW-HNNXBMFYSA-N 1 0 306.406 2.212 10 0 DEAERO C[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCCCC3)cn2)CC[NH2+]1 ZINC000262460978 145285300 /nfs/dbraw/zinc/28/53/00/145285300.db2.gz VWIHSCHOSRJVEC-KBPBESRZSA-N 1 0 302.422 2.399 10 0 DEAERO O=C(NC1CC[NH2+]CC1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000262512240 145288855 /nfs/dbraw/zinc/28/88/55/145288855.db2.gz OTYOSNXAVWNHKP-KBPBESRZSA-N 1 0 323.234 2.421 10 0 DEAERO C[C@@H](C(=O)N1CCC(Cc2cccc(F)c2)CC1)C1C[NH2+]C1 ZINC000262549628 145292102 /nfs/dbraw/zinc/29/21/02/145292102.db2.gz OMRBPCHXQKRDNI-CYBMUJFWSA-N 1 0 304.409 2.462 10 0 DEAERO CC1(C)CN(Cc2nc(-c3ccc(F)cc3)no2)CC[C@H]1[NH3+] ZINC000262550488 145292319 /nfs/dbraw/zinc/29/23/19/145292319.db2.gz SKAWXSUWVSXCCP-CYBMUJFWSA-N 1 0 304.369 2.435 10 0 DEAERO C[C@H](NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000262587095 145295665 /nfs/dbraw/zinc/29/56/65/145295665.db2.gz ZWJPMQRMFMRBNS-CTNYNGJSSA-N 1 0 302.418 2.396 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000262790513 145305117 /nfs/dbraw/zinc/30/51/17/145305117.db2.gz ROEAUSOFEHEFKH-GZMMTYOYSA-N 1 0 323.245 2.270 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262786580 145305317 /nfs/dbraw/zinc/30/53/17/145305317.db2.gz MPUKHMSDCVFGLP-DYVFJYSZSA-N 1 0 320.481 2.203 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@H]3CC[NH2+][C@H](C)C3)nc21 ZINC000262812657 145306411 /nfs/dbraw/zinc/30/64/11/145306411.db2.gz FZVQOULUJGEUBQ-OLZOCXBDSA-N 1 0 300.406 2.061 10 0 DEAERO Cc1cc(C)c(C)c(OCCC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000262867820 145308495 /nfs/dbraw/zinc/30/84/95/145308495.db2.gz UTHHEASOFQHKNW-GOEBONIOSA-N 1 0 304.434 2.495 10 0 DEAERO COC(C)(C)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309638645 145349363 /nfs/dbraw/zinc/34/93/63/145349363.db2.gz AYYCCPXRSCPLHN-GOSISDBHSA-N 1 0 304.434 2.440 10 0 DEAERO CO[C@H](C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309921992 145350890 /nfs/dbraw/zinc/35/08/90/145350890.db2.gz RFKUWUDEUGDMLJ-MWQQHZPXSA-N 1 0 302.418 2.048 10 0 DEAERO C[C@@H](C(=O)NCc1cccs1)N1CCC[C@@H](n2cccn2)C1 ZINC000332708447 145386184 /nfs/dbraw/zinc/38/61/84/145386184.db2.gz CDOVMTCVKSTYKW-UONOGXRCSA-N 1 0 318.446 2.286 10 0 DEAERO CC(=O)N1CCN(C(=O)CC[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000565238169 292149528 /nfs/dbraw/zinc/14/95/28/292149528.db2.gz NSBLTGGEUKZBCN-MRXNPFEDSA-N 1 0 323.481 2.016 10 0 DEAERO COc1cccc(C2=CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)c1 ZINC000358498088 147146007 /nfs/dbraw/zinc/14/60/07/147146007.db2.gz KEGPUWPOGGXMBH-AWEZNQCLSA-N 1 0 317.433 2.444 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NCC2=CCCOC2)CC1 ZINC000358756559 147198085 /nfs/dbraw/zinc/19/80/85/147198085.db2.gz NNCMNLFRNKUMBJ-UHFFFAOYSA-N 1 0 309.454 2.097 10 0 DEAERO COC(=O)[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1)C1CC1 ZINC000358820551 147212263 /nfs/dbraw/zinc/21/22/63/147212263.db2.gz SDWIPNDSVJSGCI-UKRRQHHQSA-N 1 0 308.809 2.460 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c(Cl)c1 ZINC000235357137 292177696 /nfs/dbraw/zinc/17/76/96/292177696.db2.gz VNBNCIXSWDMPMC-VXGBXAGGSA-N 1 0 316.854 2.396 10 0 DEAERO O=C(Nc1cccc2c1OCCC2)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000370537938 148028317 /nfs/dbraw/zinc/02/83/17/148028317.db2.gz HYQMXERRJCLYQZ-OAHLLOKOSA-N 1 0 313.401 2.490 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ncc(C2CC2)o1 ZINC000371183325 148070210 /nfs/dbraw/zinc/07/02/10/148070210.db2.gz ILMCHQUWDCYFLP-QLFBSQMISA-N 1 0 305.422 2.236 10 0 DEAERO CC(=O)c1ccc(CC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000371245066 148077102 /nfs/dbraw/zinc/07/71/02/148077102.db2.gz SFZSYFWESDEFED-ZWKOTPCHSA-N 1 0 314.429 2.422 10 0 DEAERO Cc1ccc(CCC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c(C)c1 ZINC000375500440 148380059 /nfs/dbraw/zinc/38/00/59/148380059.db2.gz YLIZCTYNQHRLTR-QGZVFWFLSA-N 1 0 318.461 2.151 10 0 DEAERO c1cc(CN2CCN(Cc3cc[nH]n3)[C@@H](c3ccccc3)C2)n[nH]1 ZINC000565877103 292187903 /nfs/dbraw/zinc/18/79/03/292187903.db2.gz GUCNCXOBPDRGAJ-GOSISDBHSA-N 1 0 322.416 2.192 10 0 DEAERO CC(C)c1ccccc1OC[C@@H](O)C[N@H+](C)CCn1cccn1 ZINC000111695287 401721631 /nfs/dbraw/zinc/72/16/31/401721631.db2.gz OVSBSVAJSDJCTN-INIZCTEOSA-N 1 0 317.433 2.378 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000111836809 401725296 /nfs/dbraw/zinc/72/52/96/401725296.db2.gz LBIMDHKDFNDUFF-HOTGVXAUSA-N 1 0 319.453 2.022 10 0 DEAERO C[C@@H]1CCC[C@](CNC(=O)c2cnn3c2CCCC3)([NH+](C)C)C1 ZINC000127225094 401725516 /nfs/dbraw/zinc/72/55/16/401725516.db2.gz BDTPVCWMCAXMEM-KDOFPFPSSA-N 1 0 318.465 2.460 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCC[C@@H](n2cc(C)cn2)C1)C1CC1 ZINC000111849961 401726008 /nfs/dbraw/zinc/72/60/08/401726008.db2.gz VSFXUGVOYKHNBY-MRXNPFEDSA-N 1 0 319.453 2.022 10 0 DEAERO CC[C@]1(C)CCCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000074167180 401731984 /nfs/dbraw/zinc/73/19/84/401731984.db2.gz OIHRCVJKQNCVHI-NVXWUHKLSA-N 1 0 311.470 2.319 10 0 DEAERO CC[C@@H]1CN(c2cnc3ccccc3n2)CC[N@@H+]1CCOC ZINC000112556240 401749060 /nfs/dbraw/zinc/74/90/60/401749060.db2.gz LWHSZJXMBBOVIC-CQSZACIVSA-N 1 0 300.406 2.177 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2ccc(N3CCCC3)nc2)CC[N@@H+]1C ZINC000127558445 401740029 /nfs/dbraw/zinc/74/00/29/401740029.db2.gz XVABXRAITXGDSW-GOEBONIOSA-N 1 0 316.449 2.237 10 0 DEAERO CCS(=O)(=O)NCCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000127654282 401744017 /nfs/dbraw/zinc/74/40/17/401744017.db2.gz ZRFIHDKWXFKHSR-SNVBAGLBSA-N 1 0 322.833 2.459 10 0 DEAERO CCc1cnc(CCNC(=O)N2CCC[N@@H+](C3CC3)CC2)s1 ZINC000074842449 401744932 /nfs/dbraw/zinc/74/49/32/401744932.db2.gz WCUPSOCITGUFFJ-UHFFFAOYSA-N 1 0 322.478 2.128 10 0 DEAERO COc1cc(F)c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1OC ZINC000126365287 401691161 /nfs/dbraw/zinc/69/11/61/401691161.db2.gz CFELVNJIQAGMMN-LBPRGKRZSA-N 1 0 322.380 2.153 10 0 DEAERO Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)n1C1CC1 ZINC000127716280 401746837 /nfs/dbraw/zinc/74/68/37/401746837.db2.gz OZEKSURUQMEBRK-HUUCEWRRSA-N 1 0 300.410 2.391 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)cc1C ZINC000071906074 401695766 /nfs/dbraw/zinc/69/57/66/401695766.db2.gz XKZYDOTVOFIKFZ-OAHLLOKOSA-N 1 0 310.463 2.456 10 0 DEAERO Cc1cccc(CNC(=O)CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000111222145 401701331 /nfs/dbraw/zinc/70/13/31/401701331.db2.gz HWOKJOJXSHGHEL-UHFFFAOYSA-N 1 0 315.461 2.171 10 0 DEAERO Cc1cc(C)c(NC(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c(C)c1 ZINC000111220465 401701484 /nfs/dbraw/zinc/70/14/84/401701484.db2.gz XVNWYZOISFICTR-LSDHHAIUSA-N 1 0 317.433 2.136 10 0 DEAERO CN(C)c1ccc([C@@H](C[NH3+])S(=O)(=O)c2cccs2)cc1 ZINC000008037916 401747610 /nfs/dbraw/zinc/74/76/10/401747610.db2.gz PDBQRGRMSCJVCC-CYBMUJFWSA-N 1 0 310.444 2.288 10 0 DEAERO Fc1cc(Br)cc(C[NH2+]CCCn2ccnn2)c1 ZINC000126897442 401712474 /nfs/dbraw/zinc/71/24/74/401712474.db2.gz PKSPWEGNSPEMHB-UHFFFAOYSA-N 1 0 313.174 2.360 10 0 DEAERO C[C@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072897645 401713791 /nfs/dbraw/zinc/71/37/91/401713791.db2.gz PYAONOSOUBMUBR-STQMWFEESA-N 1 0 303.406 2.235 10 0 DEAERO C[NH+](C)Cc1ccc([C@]2(O)c3ccccc3C3=NCCN32)cc1 ZINC000013491056 401800203 /nfs/dbraw/zinc/80/02/03/401800203.db2.gz DGZRWRJCFZDZKJ-IBGZPJMESA-N 1 0 307.397 2.017 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000076996468 401802025 /nfs/dbraw/zinc/80/20/25/401802025.db2.gz AFZXXGJQKORIDC-HOTGVXAUSA-N 1 0 305.422 2.110 10 0 DEAERO CN(C[C@H]1CCCO1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000076997176 401802295 /nfs/dbraw/zinc/80/22/95/401802295.db2.gz MXDHLVXLTDUXIW-CVEARBPZSA-N 1 0 323.412 2.249 10 0 DEAERO COc1cc2c(c(CN3CC[NH+](C4CC4)CC3)c1)O[C@@H](C)C2 ZINC000127879414 401754161 /nfs/dbraw/zinc/75/41/61/401754161.db2.gz ZLHVWIPOOUOLMA-ZDUSSCGKSA-N 1 0 302.418 2.299 10 0 DEAERO CCc1cc(C)c(C(=O)N2CCC[C@H]2CN2CCOCC2)o1 ZINC000128217406 401767590 /nfs/dbraw/zinc/76/75/90/401767590.db2.gz DDTUZGCDJUQWJR-AWEZNQCLSA-N 1 0 306.406 2.087 10 0 DEAERO CCc1cnc(CCNC(=O)NCC[NH+]2CCC(C)CC2)s1 ZINC000075810425 401768993 /nfs/dbraw/zinc/76/89/93/401768993.db2.gz QZVSFDBDBGVMMG-UHFFFAOYSA-N 1 0 324.494 2.279 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000113226673 401770845 /nfs/dbraw/zinc/77/08/45/401770845.db2.gz HWVXFQFXFUZTFP-CMPLNLGQSA-N 1 0 322.792 2.377 10 0 DEAERO Cc1ccccc1-n1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cn1 ZINC000113227189 401772004 /nfs/dbraw/zinc/77/20/04/401772004.db2.gz XEZOJLXPZONCST-RDJZCZTQSA-N 1 0 324.428 2.489 10 0 DEAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1C[C@H]1C ZINC000075958658 401775292 /nfs/dbraw/zinc/77/52/92/401775292.db2.gz NHVDIULACNWLIS-CJNGLKHVSA-N 1 0 302.422 2.277 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(O)c2)[C@H](C)C1 ZINC000128556851 401782792 /nfs/dbraw/zinc/78/27/92/401782792.db2.gz LZZXOZCNOCPCAR-CZUORRHYSA-N 1 0 305.422 2.264 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCOc1cccc(F)c1 ZINC000113596845 401783048 /nfs/dbraw/zinc/78/30/48/401783048.db2.gz DMHYTGXVMGSQRB-DZGCQCFKSA-N 1 0 321.396 2.083 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc(F)ccc1F ZINC000113616916 401783818 /nfs/dbraw/zinc/78/38/18/401783818.db2.gz RISJBIGGYVEMOC-BXUZGUMPSA-N 1 0 309.360 2.343 10 0 DEAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000128698829 401788139 /nfs/dbraw/zinc/78/81/39/401788139.db2.gz YARRHZSCAZFPSK-HZPDHXFCSA-N 1 0 311.470 2.319 10 0 DEAERO CC(C)Cn1ncc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1C(F)F ZINC000128733135 401789636 /nfs/dbraw/zinc/78/96/36/401789636.db2.gz IOTPAJITHQQRTH-NSHDSACASA-N 1 0 314.380 2.253 10 0 DEAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)N(C)C3CC3)C2)cc1 ZINC000076389127 401793616 /nfs/dbraw/zinc/79/36/16/401793616.db2.gz IYOGAYVDXBVBHC-UKRRQHHQSA-N 1 0 302.418 2.494 10 0 DEAERO CC(=O)NC1(C(=O)NC2CCC(C[NH+](C)C)CC2)CCCCC1 ZINC000130316559 401827172 /nfs/dbraw/zinc/82/71/72/401827172.db2.gz WMGUNNQTTIVHII-UHFFFAOYSA-N 1 0 323.481 2.062 10 0 DEAERO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H](C)CO ZINC000077757256 401829331 /nfs/dbraw/zinc/82/93/31/401829331.db2.gz VIZNKOFUOOAFEH-HUUCEWRRSA-N 1 0 319.449 2.099 10 0 DEAERO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116310378 401848390 /nfs/dbraw/zinc/84/83/90/401848390.db2.gz IDEZOGAPBDWMMJ-GWUWNPHMSA-N 1 0 318.465 2.293 10 0 DEAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116311827 401849449 /nfs/dbraw/zinc/84/94/49/401849449.db2.gz GXAOVABWDUJWKS-HLLBOEOZSA-N 1 0 318.465 2.247 10 0 DEAERO Cc1ccccc1[C@H](C)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116785132 401858638 /nfs/dbraw/zinc/85/86/38/401858638.db2.gz KTKCLUZYBVIHNY-CVEARBPZSA-N 1 0 304.434 2.278 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)CSCc2cscn2)[C@@H](C)C1 ZINC000131981032 401860694 /nfs/dbraw/zinc/86/06/94/401860694.db2.gz UGEUSLDPPNLIBM-AAEUAGOBSA-N 1 0 313.492 2.221 10 0 DEAERO C[C@H](C[NH+]1CCN(c2ccc3nncn3n2)CC1)c1ccccc1 ZINC000116878790 401863140 /nfs/dbraw/zinc/86/31/40/401863140.db2.gz FIBSUAOQJIKNDY-OAHLLOKOSA-N 1 0 322.416 2.050 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCCC2CCCCC2)CCO1 ZINC000117033032 401867110 /nfs/dbraw/zinc/86/71/10/401867110.db2.gz LMYPRBGOTLGELQ-MRXNPFEDSA-N 1 0 311.470 2.319 10 0 DEAERO CC[C@@H](O)CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000135051715 401925490 /nfs/dbraw/zinc/92/54/90/401925490.db2.gz WVZMYQGQYGVYNN-MNOVXSKESA-N 1 0 322.232 2.484 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)N(C[C@@H]2CCOC2)C2CC2)CC1 ZINC000119106800 401926285 /nfs/dbraw/zinc/92/62/85/401926285.db2.gz KOISTCJVSZAWQT-PCKAHOCUSA-N 1 0 323.481 2.317 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1sc(COC)nc1C ZINC000119215454 401933707 /nfs/dbraw/zinc/93/37/07/401933707.db2.gz VFZIZGGMAUGNKG-LBPRGKRZSA-N 1 0 311.451 2.154 10 0 DEAERO CC[C@@H]1CN(C(=O)CCc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000117300869 401873920 /nfs/dbraw/zinc/87/39/20/401873920.db2.gz KXQICYNKVLYJEP-GOSISDBHSA-N 1 0 318.461 2.497 10 0 DEAERO CC[C@H]1CN(C(=O)CCc2ccccc2)CC[N@@H+]1CCOC ZINC000117308453 401874281 /nfs/dbraw/zinc/87/42/81/401874281.db2.gz SBDHYTCKNOGREY-KRWDZBQOSA-N 1 0 304.434 2.188 10 0 DEAERO CC[NH+](CC)[C@H](C)CNc1ccc2nnc(C(F)(F)F)n2n1 ZINC000032072476 401875727 /nfs/dbraw/zinc/87/57/27/401875727.db2.gz JGMAAGACXRWBAE-SECBINFHSA-N 1 0 316.331 2.285 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[N@@H+]1CCOC ZINC000117398941 401876052 /nfs/dbraw/zinc/87/60/52/401876052.db2.gz HBMHMEYQCLORTE-OAHLLOKOSA-N 1 0 321.421 2.270 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@H]1C1CCCC1 ZINC000079612846 401877592 /nfs/dbraw/zinc/87/75/92/401877592.db2.gz SIWWWUANFQIBEF-KRWDZBQOSA-N 1 0 323.481 2.463 10 0 DEAERO CC[C@H]1CN(C(=O)NCc2ccccc2C)CC[N@@H+]1CCOC ZINC000117471159 401878007 /nfs/dbraw/zinc/87/80/07/401878007.db2.gz WXWGKYNZYKFQJT-KRWDZBQOSA-N 1 0 319.449 2.247 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@H]1CCn1cnc2cnccc2c1=O ZINC000032576638 401879909 /nfs/dbraw/zinc/87/99/09/401879909.db2.gz VEHXBTSIYWRKHZ-AWEZNQCLSA-N 1 0 300.406 2.445 10 0 DEAERO C[C@H](CNC(=O)[C@H]1CCCc2n[nH]cc21)C[NH+]1CCCCC1 ZINC000133327961 401882258 /nfs/dbraw/zinc/88/22/58/401882258.db2.gz LFWADQCSKYZKLJ-KGLIPLIRSA-N 1 0 304.438 2.068 10 0 DEAERO C[C@@H]1c2ccccc2O[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000117762391 401883598 /nfs/dbraw/zinc/88/35/98/401883598.db2.gz XQDZVZFOFUSYPA-IIYDPXPESA-N 1 0 300.402 2.152 10 0 DEAERO C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCC1CC[NH+](C)CC1 ZINC000117778176 401884182 /nfs/dbraw/zinc/88/41/82/401884182.db2.gz VBZGUFCLAVJOJH-GUYCJALGSA-N 1 0 302.418 2.399 10 0 DEAERO C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CCCc3n[nH]cc32)([NH+](C)C)C1 ZINC000133436551 401886424 /nfs/dbraw/zinc/88/64/24/401886424.db2.gz VSEGJNJFVUNGOP-HBUWYVDXSA-N 1 0 318.465 2.456 10 0 DEAERO Cc1cc(C)c(C)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c1C ZINC000033891451 401892472 /nfs/dbraw/zinc/89/24/72/401892472.db2.gz IGXSQLZHRJYQBZ-OAHLLOKOSA-N 1 0 310.463 2.245 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc(Br)cn1 ZINC000083704205 401901080 /nfs/dbraw/zinc/90/10/80/401901080.db2.gz YPNJLVNWJJUXOG-CMPLNLGQSA-N 1 0 311.227 2.302 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(F)ccc2Cl)CCO1 ZINC000118818003 401909543 /nfs/dbraw/zinc/90/95/43/401909543.db2.gz LVIAPMPQRYHBAS-LLVKDONJSA-N 1 0 315.776 2.273 10 0 DEAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC(=O)N(C)C ZINC000037225380 401911331 /nfs/dbraw/zinc/91/13/31/401911331.db2.gz KWILUMLIBRMRPQ-LLVKDONJSA-N 1 0 300.349 2.287 10 0 DEAERO CSCCCC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000134715369 401911608 /nfs/dbraw/zinc/91/16/08/401911608.db2.gz GOEMCOWWNPYGDJ-UHFFFAOYSA-N 1 0 310.463 2.386 10 0 DEAERO C[C@H](Sc1ccccn1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000084971890 401912469 /nfs/dbraw/zinc/91/24/69/401912469.db2.gz AVLMTUZYERBEGA-ZDUSSCGKSA-N 1 0 305.447 2.259 10 0 DEAERO O=C([C@H]1CCC[NH2+]C1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000037801377 401917777 /nfs/dbraw/zinc/91/77/77/401917777.db2.gz AHIIEWXDMQYTEV-UONOGXRCSA-N 1 0 308.447 2.255 10 0 DEAERO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccccc1 ZINC000089140667 401936868 /nfs/dbraw/zinc/93/68/68/401936868.db2.gz OFIKYOOPSRDHSX-WFASDCNBSA-N 1 0 306.406 2.041 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC([NH+](C)C)CC2)c1C ZINC000134983157 401922642 /nfs/dbraw/zinc/92/26/42/401922642.db2.gz TZWNKCHGRJTNSN-CYBMUJFWSA-N 1 0 319.449 2.431 10 0 DEAERO CC(=O)c1ccc(NC(=O)CCN2CCC([NH+](C)C)CC2)cc1 ZINC000134984467 401922775 /nfs/dbraw/zinc/92/27/75/401922775.db2.gz BVLPCBFDHSPWSL-UHFFFAOYSA-N 1 0 317.433 2.244 10 0 DEAERO C[C@@H]1CN(CCCc2nc(-c3cccs3)no2)[C@@H](C)C[NH2+]1 ZINC000086469621 401923859 /nfs/dbraw/zinc/92/38/59/401923859.db2.gz NBGQWKQLJGQSBG-NEPJUHHUSA-N 1 0 306.435 2.413 10 0 DEAERO Cc1noc(CC[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)n1 ZINC000089517876 401950862 /nfs/dbraw/zinc/95/08/62/401950862.db2.gz QYQSHRIAIJEOLN-NSHDSACASA-N 1 0 303.362 2.433 10 0 DEAERO Cc1nc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)nc2ccccc12 ZINC000119552459 401958054 /nfs/dbraw/zinc/95/80/54/401958054.db2.gz CHNXUTBYMFXGQK-OAHLLOKOSA-N 1 0 322.416 2.442 10 0 DEAERO CSCCC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000119549428 401958426 /nfs/dbraw/zinc/95/84/26/401958426.db2.gz VVRVBZZZBUIJPG-HNNXBMFYSA-N 1 0 321.490 2.066 10 0 DEAERO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)CC[C@H]2N1C1CC1 ZINC000119889343 401969874 /nfs/dbraw/zinc/96/98/74/401969874.db2.gz ZPXURCSZXNUNGZ-KBAYOESNSA-N 1 0 314.429 2.195 10 0 DEAERO CC(C)c1nc([C@H]2CCCN2C(=O)[C@@H]2CC23CC[NH2+]CC3)no1 ZINC000137016051 401977267 /nfs/dbraw/zinc/97/72/67/401977267.db2.gz JHPGLDVVASYHLP-QWHCGFSZSA-N 1 0 318.421 2.246 10 0 DEAERO CC(C)Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCNC2=O)cc1 ZINC000120303203 401985441 /nfs/dbraw/zinc/98/54/41/401985441.db2.gz HDUZGTOAJRAPNP-CYBMUJFWSA-N 1 0 303.406 2.088 10 0 DEAERO C[C@@H](CCO)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000090740042 401986938 /nfs/dbraw/zinc/98/69/38/401986938.db2.gz GTFYHWCCEAPYPO-UONOGXRCSA-N 1 0 300.443 2.242 10 0 DEAERO Cc1ccc(OC[C@@H](O)C[N@H+](C)CCC2CCOCC2)cc1 ZINC000120495801 401992343 /nfs/dbraw/zinc/99/23/43/401992343.db2.gz MDCODHZFVRDLLQ-KRWDZBQOSA-N 1 0 307.434 2.483 10 0 DEAERO CCCc1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n(C)n1 ZINC000091093960 401992880 /nfs/dbraw/zinc/99/28/80/401992880.db2.gz LXSLGFQBCSCCRZ-GXTWGEPZSA-N 1 0 305.426 2.073 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2)C1 ZINC000150775603 401995179 /nfs/dbraw/zinc/99/51/79/401995179.db2.gz UTBTXCRQQJFTHA-RISCZKNCSA-N 1 0 323.824 2.123 10 0 DEAERO Cc1nn(C)c(C[NH2+]C[C@H]2CCCC[C@H]2O)c1Br ZINC000089233364 401939856 /nfs/dbraw/zinc/93/98/56/401939856.db2.gz JSHSEUIYKBINMF-ZYHUDNBSSA-N 1 0 316.243 2.132 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC000119305514 401940305 /nfs/dbraw/zinc/94/03/05/401940305.db2.gz XJNRHRJCCBAYGO-OCCSQVGLSA-N 1 0 324.856 2.402 10 0 DEAERO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](CCn2cccn2)C1 ZINC000135457546 401940688 /nfs/dbraw/zinc/94/06/88/401940688.db2.gz 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RJZUMKVLHRYTHK-ZDUSSCGKSA-N 1 0 316.380 2.325 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000177020638 402360277 /nfs/dbraw/zinc/36/02/77/402360277.db2.gz LMESTOCRHCKWJF-CZUORRHYSA-N 1 0 316.401 2.231 10 0 DEAERO C[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@H]1COc2ccccc21 ZINC000185648302 402366901 /nfs/dbraw/zinc/36/69/01/402366901.db2.gz LPNUQLRPYGTNGS-ZYHUDNBSSA-N 1 0 316.323 2.209 10 0 DEAERO C[C@@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)c1cccnc1 ZINC000177083732 402367965 /nfs/dbraw/zinc/36/79/65/402367965.db2.gz NFFQLCYQGOIFOW-OAHLLOKOSA-N 1 0 319.449 2.144 10 0 DEAERO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236703474 402375701 /nfs/dbraw/zinc/37/57/01/402375701.db2.gz KQNLJIUGCYWQOS-KBPBESRZSA-N 1 0 303.406 2.199 10 0 DEAERO COc1ccccc1C/C(C)=C/C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185164091 402330054 /nfs/dbraw/zinc/33/00/54/402330054.db2.gz WRFXCQHKAORVES-DKQPMTJHSA-N 1 0 314.429 2.380 10 0 DEAERO Fc1ccccc1-c1cnc(CN2CCO[C@@]3(CCOC3)C2)o1 ZINC000185215944 402335561 /nfs/dbraw/zinc/33/55/61/402335561.db2.gz PRHYEJXBZQDKRZ-KRWDZBQOSA-N 1 0 318.348 2.472 10 0 DEAERO COC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000228639294 402338995 /nfs/dbraw/zinc/33/89/95/402338995.db2.gz DWUVXAKCJLTNJU-TVQRCGJNSA-N 1 0 316.195 2.024 10 0 DEAERO CN(C(=O)CCOc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237203948 402399257 /nfs/dbraw/zinc/39/92/57/402399257.db2.gz DENQDFGRTXMYRV-YIONKMFJSA-N 1 0 306.381 2.336 10 0 DEAERO CN(Cc1nc2c(s1)CCCC2)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237249572 402401339 /nfs/dbraw/zinc/40/13/39/402401339.db2.gz DXLPBEHBNXDZEQ-GFCCVEGCSA-N 1 0 319.474 2.370 10 0 DEAERO CC(=O)N[C@@H](CC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000161990815 402406278 /nfs/dbraw/zinc/40/62/78/402406278.db2.gz DWYODJBIKSFIOK-IRXDYDNUSA-N 1 0 319.449 2.086 10 0 DEAERO CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC000162085101 402409189 /nfs/dbraw/zinc/40/91/89/402409189.db2.gz PXGXEFUUFVOJDQ-AWEZNQCLSA-N 1 0 312.454 2.347 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1ccc(C)nc1 ZINC000177506128 402409926 /nfs/dbraw/zinc/40/99/26/402409926.db2.gz LEOLTHMMIYTWAZ-MRXNPFEDSA-N 1 0 304.438 2.058 10 0 DEAERO COCCCNC(=O)[C@@H](C)N1Cc2ccccc2C2(CC2)C1 ZINC000186213314 402411341 /nfs/dbraw/zinc/41/13/41/402411341.db2.gz WEODYIOHVIAKJE-CQSZACIVSA-N 1 0 302.418 2.075 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N(C)C)C12CCOCC2 ZINC000186243544 402414440 /nfs/dbraw/zinc/41/44/40/402414440.db2.gz WIWGPYSHBLECBH-HZPDHXFCSA-N 1 0 319.449 2.211 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCO3)C12CCOCC2 ZINC000186265526 402416537 /nfs/dbraw/zinc/41/65/37/402416537.db2.gz AZCDTJFPOBMSOD-CVEARBPZSA-N 1 0 319.401 2.479 10 0 DEAERO C[C@@](C[NH3+])(NC(=O)c1ccn(-c2cccc(Cl)c2)n1)C1CC1 ZINC000237645125 402416808 /nfs/dbraw/zinc/41/68/08/402416808.db2.gz JAYNHCPFOAXVAC-INIZCTEOSA-N 1 0 318.808 2.383 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)c(OC)c2)C12CCOCC2 ZINC000186290359 402418435 /nfs/dbraw/zinc/41/84/35/402418435.db2.gz PMYIHAVODXCTOR-IAGOWNOFSA-N 1 0 321.417 2.465 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC)o2)C12CCOCC2 ZINC000186338588 402422972 /nfs/dbraw/zinc/42/29/72/402422972.db2.gz JBIFKBXUNCTYBP-LSDHHAIUSA-N 1 0 323.389 2.130 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000177700861 402428082 /nfs/dbraw/zinc/42/80/82/402428082.db2.gz OCTOAVGJXSAKDF-GOEBONIOSA-N 1 0 321.440 2.247 10 0 DEAERO O=C(CSc1ccc2c(c1)CCC2)NC[C@@H]1CCC[NH2+]C1 ZINC000238035641 402433360 /nfs/dbraw/zinc/43/33/60/402433360.db2.gz SXRHBXVWDDEXGF-CYBMUJFWSA-N 1 0 304.459 2.383 10 0 DEAERO O=C([C@@H]1CCOc2ccccc21)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186525242 402439187 /nfs/dbraw/zinc/43/91/87/402439187.db2.gz ODYILICLKJXNLV-CZUORRHYSA-N 1 0 300.402 2.296 10 0 DEAERO Cc1cc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)nn1C(C)(C)C ZINC000186556936 402441860 /nfs/dbraw/zinc/44/18/60/402441860.db2.gz LPVBMCAVWPPCGE-CYBMUJFWSA-N 1 0 304.438 2.303 10 0 DEAERO CSC1(C(=O)Nc2ccnc(OC3CC[NH+](C)CC3)c2)CC1 ZINC000242197018 402444659 /nfs/dbraw/zinc/44/46/59/402444659.db2.gz XHBPVNIAFMFXIG-UHFFFAOYSA-N 1 0 321.446 2.389 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCc3ccsc3)CC[C@@H]21 ZINC000177935927 402445735 /nfs/dbraw/zinc/44/57/35/402445735.db2.gz AYMKMCBHSUHUPP-GJZGRUSLSA-N 1 0 307.463 2.416 10 0 DEAERO COc1ccc(OCCC[N@@H+]2CCCC[C@@]2(C)C(N)=O)cc1 ZINC000185966387 402393440 /nfs/dbraw/zinc/39/34/40/402393440.db2.gz SWQCNYKYMVYGIB-KRWDZBQOSA-N 1 0 306.406 2.194 10 0 DEAERO C[NH2+]C1CCN(C(=O)C[C@H](C)C(=O)c2cccc(F)c2)CC1 ZINC000237073465 402394484 /nfs/dbraw/zinc/39/44/84/402394484.db2.gz MQYFYFMGEVSING-LBPRGKRZSA-N 1 0 306.381 2.245 10 0 DEAERO COC[C@@H]([NH2+]Cc1cccc(OC)c1OC)C1CCOCC1 ZINC000187799107 402511655 /nfs/dbraw/zinc/51/16/55/402511655.db2.gz UDAXLXLNCIAFQP-OAHLLOKOSA-N 1 0 309.406 2.235 10 0 DEAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc2c(c1)OCO2 ZINC000178048910 402455484 /nfs/dbraw/zinc/45/54/84/402455484.db2.gz DQUGODDFLRARGW-LBPRGKRZSA-N 1 0 323.356 2.242 10 0 DEAERO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246126375 402511880 /nfs/dbraw/zinc/51/18/80/402511880.db2.gz WSRPSTFRBZZBPM-CHWSQXEVSA-N 1 0 319.453 2.096 10 0 DEAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2ccc(F)cc2)C1(C)C ZINC000186706542 402457510 /nfs/dbraw/zinc/45/75/10/402457510.db2.gz YAGZTUKXVIVYJX-RHSMWYFYSA-N 1 0 308.397 2.317 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](OC)c1ccccc1 ZINC000245430255 402459756 /nfs/dbraw/zinc/45/97/56/402459756.db2.gz ZPKYARBVLAAQPS-IAGOWNOFSA-N 1 0 319.449 2.500 10 0 DEAERO C[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(=O)c1cccc(F)c1 ZINC000245461219 402462604 /nfs/dbraw/zinc/46/26/04/402462604.db2.gz MRQQRRAUCAXLJD-BBRMVZONSA-N 1 0 318.392 2.341 10 0 DEAERO CC(C)n1cnnc1[C@@H]1CCC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000245541114 402469019 /nfs/dbraw/zinc/46/90/19/402469019.db2.gz QECRSEDGJMACFK-HUUCEWRRSA-N 1 0 324.469 2.214 10 0 DEAERO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000245549639 402469962 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C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000245608575 402473543 /nfs/dbraw/zinc/47/35/43/402473543.db2.gz ZPLRXJVRQOZQAB-OCCSQVGLSA-N 1 0 317.437 2.475 10 0 DEAERO C[C@H](CNC(=O)N1CCC[N@@H+](C2CC2)CC1)c1nccs1 ZINC000187011526 402477885 /nfs/dbraw/zinc/47/78/85/402477885.db2.gz JTUGHOXMDNVTGX-GFCCVEGCSA-N 1 0 308.451 2.126 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000245699396 402480687 /nfs/dbraw/zinc/48/06/87/402480687.db2.gz QMHHBXKYQQGFSJ-SJLPKXTDSA-N 1 0 313.449 2.087 10 0 DEAERO CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178293441 402481272 /nfs/dbraw/zinc/48/12/72/402481272.db2.gz QPPOUEVLFHNFPO-MRXNPFEDSA-N 1 0 306.454 2.305 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000187139880 402484407 /nfs/dbraw/zinc/48/44/07/402484407.db2.gz XKLNLHLIQMRJIW-ZDUSSCGKSA-N 1 0 320.437 2.134 10 0 DEAERO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc2c1OCCO2 ZINC000245743629 402484584 /nfs/dbraw/zinc/48/45/84/402484584.db2.gz MIJVVFBBZOVGDS-ZFWWWQNUSA-N 1 0 318.417 2.135 10 0 DEAERO Cc1cc(NC(=O)C2CC[NH+](C[C@@](C)(O)C(C)C)CC2)no1 ZINC000187196847 402487550 /nfs/dbraw/zinc/48/75/50/402487550.db2.gz PPKRSEZCZPUEBS-MRXNPFEDSA-N 1 0 309.410 2.041 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc3c[nH]nc3c2)C[C@H]1C ZINC000245789392 402488561 /nfs/dbraw/zinc/48/85/61/402488561.db2.gz VWHYTZBWEFYAMM-CQSZACIVSA-N 1 0 302.422 2.106 10 0 DEAERO Cn1nccc1C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000167176806 402489945 /nfs/dbraw/zinc/48/99/45/402489945.db2.gz NELVRBNEPPEPJP-PMPSAXMXSA-N 1 0 316.449 2.047 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCc1ccccn1 ZINC000178408844 402495396 /nfs/dbraw/zinc/49/53/96/402495396.db2.gz GSJBKEBSFLNUFJ-SJORKVTESA-N 1 0 316.449 2.282 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C[C@H]1CCOc2ccccc21 ZINC000245901199 402495538 /nfs/dbraw/zinc/49/55/38/402495538.db2.gz LEXLWIBUPFHSCM-QLFBSQMISA-N 1 0 302.418 2.494 10 0 DEAERO C[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H](O)COC(C)(C)C 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DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC(C)(C)CO ZINC000246095060 402509470 /nfs/dbraw/zinc/50/94/70/402509470.db2.gz OFUWMHIXVHGSCM-GJZGRUSLSA-N 1 0 311.470 2.053 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)c2ccccc2)C[C@@H]1C ZINC000246720738 402542170 /nfs/dbraw/zinc/54/21/70/402542170.db2.gz LJIDPIGLKISMSH-JYJNAYRXSA-N 1 0 304.434 2.094 10 0 DEAERO C[N@H+](CCNC(=O)N1CC[C@@H]2OCCC[C@H]2C1)C1CCCC1 ZINC000246725993 402542533 /nfs/dbraw/zinc/54/25/33/402542533.db2.gz OKFDTSKMXQVKHY-HOCLYGCPSA-N 1 0 309.454 2.071 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CCCc2ccccc21 ZINC000246973784 402551432 /nfs/dbraw/zinc/55/14/32/402551432.db2.gz DRTUISIAWKZTCJ-RDJZCZTQSA-N 1 0 313.445 2.134 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCCCC1 ZINC000246986773 402552446 /nfs/dbraw/zinc/55/24/46/402552446.db2.gz JZPPVHBJRQMEBI-ZBFHGGJFSA-N 1 0 304.438 2.057 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cnc3c(c2)c(C)nn3C)[C@@H](C)C1 ZINC000247007199 402552590 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Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(C)c1 ZINC000247335714 402564187 /nfs/dbraw/zinc/56/41/87/402564187.db2.gz HGOBDIVBQLSJAF-HZPDHXFCSA-N 1 0 322.474 2.408 10 0 DEAERO CCCS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189909553 402566224 /nfs/dbraw/zinc/56/62/24/402566224.db2.gz JGIWVLVCDQSXJA-AWEZNQCLSA-N 1 0 321.446 2.348 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2ccccc2F)CC[N@@H+]1C[C@H](C)O ZINC000247473890 402568186 /nfs/dbraw/zinc/56/81/86/402568186.db2.gz JLRNFZJOFXADCL-STQMWFEESA-N 1 0 309.385 2.135 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000247480867 402569015 /nfs/dbraw/zinc/56/90/15/402569015.db2.gz JKSRDJIFHCOFRR-HRCADAONSA-N 1 0 311.470 2.317 10 0 DEAERO CCOc1ccc(CC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247485310 402569033 /nfs/dbraw/zinc/56/90/33/402569033.db2.gz TUZMXHQCLXPFNE-ZBFHGGJFSA-N 1 0 302.418 2.323 10 0 DEAERO CCOc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1OC ZINC000247521617 402570706 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CCOC(=O)C[C@@H](NC(=O)CC(C)(C)[NH3+])c1ccccc1C ZINC000178637126 402520222 /nfs/dbraw/zinc/52/02/22/402520222.db2.gz DWPXSQWBIKJJPU-CQSZACIVSA-N 1 0 306.406 2.233 10 0 DEAERO CCCc1cc(N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)n2ncnc2n1 ZINC000246252034 402520680 /nfs/dbraw/zinc/52/06/80/402520680.db2.gz XBKHYJNANIRHOG-UKRRQHHQSA-N 1 0 316.453 2.243 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000246255471 402521027 /nfs/dbraw/zinc/52/10/27/402521027.db2.gz MOBDYGSZNUYEGJ-HUUCEWRRSA-N 1 0 317.433 2.336 10 0 DEAERO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000170778991 402524068 /nfs/dbraw/zinc/52/40/68/402524068.db2.gz PYQLYQHMWAOHHL-QAPCUYQASA-N 1 0 314.433 2.385 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC(C)(C)O2)C1 ZINC000188695267 402524092 /nfs/dbraw/zinc/52/40/92/402524092.db2.gz RDFBDTYWMZQYKM-GJZGRUSLSA-N 1 0 311.470 2.317 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246350867 402526740 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CC[N@@H+]1CC[C@H](N(C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000246440483 402531205 /nfs/dbraw/zinc/53/12/05/402531205.db2.gz DOOSFPZCKZCRRT-VQHPVUNQSA-N 1 0 309.498 2.153 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)C1 ZINC000170856258 402533404 /nfs/dbraw/zinc/53/34/04/402533404.db2.gz VFQJGQYLPHSPJA-NVXWUHKLSA-N 1 0 318.417 2.021 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)CSc2nc3ccccc3o2)C1 ZINC000170861180 402534301 /nfs/dbraw/zinc/53/43/01/402534301.db2.gz XAMZDPAXEWKCNB-NSHDSACASA-N 1 0 305.403 2.082 10 0 DEAERO CCOCCC1(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)CC1 ZINC000246508935 402534536 /nfs/dbraw/zinc/53/45/36/402534536.db2.gz IBPIAJRCZLLDDE-CVEARBPZSA-N 1 0 323.481 2.461 10 0 DEAERO COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000189354039 402534910 /nfs/dbraw/zinc/53/49/10/402534910.db2.gz ABLUWMJKIUHNQM-KEYYUXOJSA-N 1 0 320.433 2.057 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Br)cs2)C1 ZINC000170864439 402535309 /nfs/dbraw/zinc/53/53/09/402535309.db2.gz AZZWFMBVTSEXHE-VIFPVBQESA-N 1 0 303.225 2.287 10 0 DEAERO C[C@H](Cc1ccccc1)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246667548 402540319 /nfs/dbraw/zinc/54/03/19/402540319.db2.gz SZOXNWRNDTWGGM-ZACQAIPSSA-N 1 0 318.461 2.481 10 0 DEAERO COc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1 ZINC000171826762 402626512 /nfs/dbraw/zinc/62/65/12/402626512.db2.gz LKXHDZVSWBRDLV-CQSZACIVSA-N 1 0 319.449 2.463 10 0 DEAERO COCc1ccc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190149876 402579358 /nfs/dbraw/zinc/57/93/58/402579358.db2.gz JXLNUELCNWGDSR-HZPDHXFCSA-N 1 0 317.389 2.486 10 0 DEAERO CCc1nn(C)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180797559 402626623 /nfs/dbraw/zinc/62/66/23/402626623.db2.gz BIDTUHWZOPEAIF-IAGOWNOFSA-N 1 0 312.417 2.158 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179263213 402583166 /nfs/dbraw/zinc/58/31/66/402583166.db2.gz GRCOVSNOMGJPPH-ULQDDVLXSA-N 1 0 317.433 2.252 10 0 DEAERO O=C(CN1CCC(C[NH+]2CCCC2)CC1)NCc1ccccc1 ZINC000171388915 402583539 /nfs/dbraw/zinc/58/35/39/402583539.db2.gz FBVXFMNSOZSWGF-UHFFFAOYSA-N 1 0 315.461 2.111 10 0 DEAERO CC(C)n1cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cn1 ZINC000179393003 402588455 /nfs/dbraw/zinc/58/84/55/402588455.db2.gz RIQDXWKGZWNAEB-KRWDZBQOSA-N 1 0 306.454 2.151 10 0 DEAERO O=C(Nc1ccc2c(c1)CCO2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171517424 402590507 /nfs/dbraw/zinc/59/05/07/402590507.db2.gz ZAEOHCDNCJMJDG-OAHLLOKOSA-N 1 0 301.390 2.324 10 0 DEAERO CCCC1(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)CC1 ZINC000248444764 402590911 /nfs/dbraw/zinc/59/09/11/402590911.db2.gz BSEFJVMULXBFTM-GJZGRUSLSA-N 1 0 311.470 2.053 10 0 DEAERO Cc1cc2c(cc1NC(=O)N1C[C@H]3CCC[N@H+]3C[C@H]1C)OCO2 ZINC000248453526 402591441 /nfs/dbraw/zinc/59/14/41/402591441.db2.gz QLHKLVBUDIFZDK-CHWSQXEVSA-N 1 0 317.389 2.424 10 0 DEAERO COCCC[C@@H](C)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000179517166 402592815 /nfs/dbraw/zinc/59/28/15/402592815.db2.gz VJCBJYOSZMDMSC-ZIAGYGMSSA-N 1 0 303.406 2.190 10 0 DEAERO CC[C@H]1CN(C(=O)NCCCC(C)(C)C)CC[N@@H+]1C[C@H](C)O ZINC000248490051 402592998 /nfs/dbraw/zinc/59/29/98/402592998.db2.gz NFOWPNRTNWFOKA-GJZGRUSLSA-N 1 0 313.486 2.299 10 0 DEAERO CCC1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000248585263 402597593 /nfs/dbraw/zinc/59/75/93/402597593.db2.gz GBMKXYBWGYCSGW-QVOMUQBLSA-N 1 0 311.470 2.052 10 0 DEAERO C[C@@H](NC(=O)NCC1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000171603671 402600221 /nfs/dbraw/zinc/60/02/21/402600221.db2.gz GOHWYRXCSRLCPR-GFCCVEGCSA-N 1 0 319.405 2.117 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH2+]Cc2cncn2C)c2cccs2)CCO1 ZINC000171627216 402603146 /nfs/dbraw/zinc/60/31/46/402603146.db2.gz NCNBYLRPKSEKDC-HIFRSBDPSA-N 1 0 320.462 2.033 10 0 DEAERO O=C(NCc1cccnc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171641190 402605197 /nfs/dbraw/zinc/60/51/97/402605197.db2.gz KLUUVGWGURPGAY-MRXNPFEDSA-N 1 0 302.422 2.242 10 0 DEAERO Cc1c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cccc1N(C)C ZINC000180119681 402607653 /nfs/dbraw/zinc/60/76/53/402607653.db2.gz WPAUISQUFNNRTL-AWEZNQCLSA-N 1 0 302.422 2.373 10 0 DEAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCc2cccnc21 ZINC000248839124 402610701 /nfs/dbraw/zinc/61/07/01/402610701.db2.gz PRXOEEMXBIQAHL-HOTGVXAUSA-N 1 0 301.434 2.300 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c2c1CCCCC2 ZINC000248909904 402614044 /nfs/dbraw/zinc/61/40/44/402614044.db2.gz MRHCOFMXFHWCSV-KGLIPLIRSA-N 1 0 316.449 2.377 10 0 DEAERO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(C)OCCCO1 ZINC000190652901 402616541 /nfs/dbraw/zinc/61/65/41/402616541.db2.gz XEGBMNSJQACNHO-ZDUSSCGKSA-N 1 0 322.405 2.155 10 0 DEAERO CC(C)[C@H](C)CNC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000180461526 402617598 /nfs/dbraw/zinc/61/75/98/402617598.db2.gz VSMHVUJYNJZFGL-SJORKVTESA-N 1 0 324.513 2.090 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000171746454 402617852 /nfs/dbraw/zinc/61/78/52/402617852.db2.gz IBZHAVNRLXILJU-DZGCQCFKSA-N 1 0 303.406 2.151 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1nc2c(s1)CCCC2 ZINC000180585159 402620765 /nfs/dbraw/zinc/62/07/65/402620765.db2.gz ZBRXINKZFLCWPL-WDEREUQCSA-N 1 0 303.435 2.279 10 0 DEAERO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C1CCCC1 ZINC000249121037 402621197 /nfs/dbraw/zinc/62/11/97/402621197.db2.gz PWMNPDPAXRINOF-UONOGXRCSA-N 1 0 311.470 2.052 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3ccc(OC)cc31)CC2 ZINC000180608573 402621213 /nfs/dbraw/zinc/62/12/13/402621213.db2.gz RKWABSFRQIWGNJ-CZUORRHYSA-N 1 0 312.417 2.441 10 0 DEAERO CC(C)Oc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000179168849 402577679 /nfs/dbraw/zinc/57/76/79/402577679.db2.gz VVFQTULOPBQTMC-HIFRSBDPSA-N 1 0 305.422 2.327 10 0 DEAERO Cc1cccc(C)c1OCCC[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249586881 402635501 /nfs/dbraw/zinc/63/55/01/402635501.db2.gz UCZZNPCVPASRBG-KRWDZBQOSA-N 1 0 306.450 2.071 10 0 DEAERO C[C@@H](NC(=O)C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1)c1cccs1 ZINC000249598262 402636311 /nfs/dbraw/zinc/63/63/11/402636311.db2.gz XKCMVZJFLXMTRZ-XJKCOSOUSA-N 1 0 310.463 2.408 10 0 DEAERO CCOCC[N@@H+]1CCN(c2ccnc(C3CC3)n2)C[C@@H]1CC ZINC000171986612 402636482 /nfs/dbraw/zinc/63/64/82/402636482.db2.gz LOBNWRZZLZOJCI-HNNXBMFYSA-N 1 0 304.438 2.291 10 0 DEAERO C[C@@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1cccc(O)c1 ZINC000191023973 402637217 /nfs/dbraw/zinc/63/72/17/402637217.db2.gz XRKJRLUAKDYOCF-GZBFAFLISA-N 1 0 303.406 2.331 10 0 DEAERO O[C@H](CC1CCCC1)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000190981903 402634579 /nfs/dbraw/zinc/63/45/79/402634579.db2.gz LOXZCVSQUWXWFK-GOSISDBHSA-N 1 0 303.450 2.140 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)NCc2ccco2)ccc1F ZINC000172046800 402638130 /nfs/dbraw/zinc/63/81/30/402638130.db2.gz HFNMHWYJLZBBAC-UHFFFAOYSA-N 1 0 305.353 2.480 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(C2CC2)n1C1CC1 ZINC000181339090 402642477 /nfs/dbraw/zinc/64/24/77/402642477.db2.gz RUFNDIPVLHTENH-IUODEOHRSA-N 1 0 301.438 2.159 10 0 DEAERO Cc1nc(C[C@@H]2CCC[N@H+](C[C@@H](O)c3ccccc3)C2)no1 ZINC000249873940 402642930 /nfs/dbraw/zinc/64/29/30/402642930.db2.gz LBBZJJGHHZJKPL-GOEBONIOSA-N 1 0 301.390 2.366 10 0 DEAERO CO[C@@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000172160211 402643346 /nfs/dbraw/zinc/64/33/46/402643346.db2.gz DXTSLYRXSXCOJJ-OAHLLOKOSA-N 1 0 323.412 2.208 10 0 DEAERO CC[NH+](CC)[C@H](C(=O)NCC1(C)OCCCO1)c1ccccc1 ZINC000191128296 402644304 /nfs/dbraw/zinc/64/43/04/402644304.db2.gz BFLJIBXULVOHAB-INIZCTEOSA-N 1 0 320.433 2.339 10 0 DEAERO Cc1cnn(CCNC(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000172217003 402645705 /nfs/dbraw/zinc/64/57/05/402645705.db2.gz ZNIYNCUXACURLC-UHFFFAOYSA-N 1 0 301.394 2.075 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)NCCc1ccc(Cl)cc1 ZINC000191154579 402646541 /nfs/dbraw/zinc/64/65/41/402646541.db2.gz QYGBQJZUMLRGMZ-CHWSQXEVSA-N 1 0 324.852 2.232 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCSC(F)(F)F ZINC000172250997 402647080 /nfs/dbraw/zinc/64/70/80/402647080.db2.gz VESMPLHENZXGBJ-NXEZZACHSA-N 1 0 311.373 2.118 10 0 DEAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@H](O)c1ccc(F)cc1 ZINC000191171856 402647451 /nfs/dbraw/zinc/64/74/51/402647451.db2.gz CTULHGICURXIRM-OJLVUWQFSA-N 1 0 307.365 2.133 10 0 DEAERO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000172282425 402647823 /nfs/dbraw/zinc/64/78/23/402647823.db2.gz JXGIXBBLFGPOPP-GOSISDBHSA-N 1 0 316.449 2.201 10 0 DEAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)NCC1(c2ccccc2)CC1 ZINC000191196009 402649965 /nfs/dbraw/zinc/64/99/65/402649965.db2.gz ZJMKLWORJLYMLG-GJZGRUSLSA-N 1 0 316.445 2.068 10 0 DEAERO Cc1c([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cnn1C(C)(C)C ZINC000191202945 402650532 /nfs/dbraw/zinc/65/05/32/402650532.db2.gz ZTOLGECSZLSKEW-HOCLYGCPSA-N 1 0 322.497 2.444 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCc2ccccc2C)CC[C@H]1C ZINC000251929284 402651513 /nfs/dbraw/zinc/65/15/13/402651513.db2.gz SYSHFGWQOIKBOP-BFYDXBDKSA-N 1 0 304.434 2.357 10 0 DEAERO CO[C@@H]1C[N@H+](CC(=O)NCCc2ccc(Cl)cc2)CC[C@H]1C ZINC000251909529 402651826 /nfs/dbraw/zinc/65/18/26/402651826.db2.gz ROWANJCMUDBZDD-CZUORRHYSA-N 1 0 324.852 2.356 10 0 DEAERO CC(C)N(C)c1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cn1 ZINC000191239376 402653657 /nfs/dbraw/zinc/65/36/57/402653657.db2.gz LZLWRYURHVCVGS-DZGCQCFKSA-N 1 0 304.438 2.012 10 0 DEAERO CC(C)[C@H](C)CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000172389130 402653842 /nfs/dbraw/zinc/65/38/42/402653842.db2.gz JVORCZGPQFRTFM-HUUCEWRRSA-N 1 0 311.470 2.079 10 0 DEAERO COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000182609076 402703849 /nfs/dbraw/zinc/70/38/49/402703849.db2.gz KIXQFDZEQRUORT-ZDUSSCGKSA-N 1 0 320.433 2.314 10 0 DEAERO Cc1csc([C@@H]2CCC[N@H+](CCCN3CCOCC3)C2)n1 ZINC000173649907 402707028 /nfs/dbraw/zinc/70/70/28/402707028.db2.gz DELQZRBZQSYOJH-OAHLLOKOSA-N 1 0 309.479 2.353 10 0 DEAERO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccs1)C(=O)OC ZINC000182730488 402712244 /nfs/dbraw/zinc/71/22/44/402712244.db2.gz JOMMRGPPDMFSIQ-COPLHBTASA-N 1 0 312.435 2.103 10 0 DEAERO COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C[C@@H]1CCC[NH2+]C1 ZINC000262041729 402721603 /nfs/dbraw/zinc/72/16/03/402721603.db2.gz YINAKZVMODDSIK-PVAVHDDUSA-N 1 0 308.466 2.430 10 0 DEAERO CC(=O)Nc1nc(CN(CC[NH3+])CCc2ccccc2)cs1 ZINC000261665690 402715489 /nfs/dbraw/zinc/71/54/89/402715489.db2.gz BKGKOIPJQRUYAT-UHFFFAOYSA-N 1 0 318.446 2.105 10 0 DEAERO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173903797 402718303 /nfs/dbraw/zinc/71/83/03/402718303.db2.gz JONUNPZVCDKNJE-IKGGRYGDSA-N 1 0 321.465 2.237 10 0 DEAERO COc1ccnc(N2CC[NH+](C[C@H](O)CC3CCCC3)CC2)c1 ZINC000191333268 402661633 /nfs/dbraw/zinc/66/16/33/402661633.db2.gz HONACZVSBZGJCL-MRXNPFEDSA-N 1 0 319.449 2.153 10 0 DEAERO C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000172543399 402661803 /nfs/dbraw/zinc/66/18/03/402661803.db2.gz UHRRTYZCCFNMHM-RDJZCZTQSA-N 1 0 307.482 2.194 10 0 DEAERO CS[C@@H](C(=O)NC[C@@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000172551129 402662373 /nfs/dbraw/zinc/66/23/73/402662373.db2.gz CVLZLLPSNNAIRC-HZPDHXFCSA-N 1 0 320.458 2.070 10 0 DEAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191363963 402664238 /nfs/dbraw/zinc/66/42/38/402664238.db2.gz YYQDKGFVKJJYFX-NWDGAFQWSA-N 1 0 315.483 2.420 10 0 DEAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2ccccc2[nH]c1=O ZINC000253544386 402668234 /nfs/dbraw/zinc/66/82/34/402668234.db2.gz NJFTZWMCYUVHNP-BLLLJJGKSA-N 1 0 313.401 2.353 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2CCCCO2)[C@H](C)C1 ZINC000182177384 402669786 /nfs/dbraw/zinc/66/97/86/402669786.db2.gz RBBZPBADHYCVNQ-PMPSAXMXSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CC2(C)OCCCO2)CN1Cc1ccccc1 ZINC000192248594 402719256 /nfs/dbraw/zinc/71/92/56/402719256.db2.gz WHJMHXQRLZMGNJ-NVXWUHKLSA-N 1 0 304.434 2.392 10 0 DEAERO Cc1cnc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)s1 ZINC000172718354 402671743 /nfs/dbraw/zinc/67/17/43/402671743.db2.gz NOHXGVGSQBRANX-AWEZNQCLSA-N 1 0 303.431 2.241 10 0 DEAERO CCOCC[N@@H+]1CCN(c2noc(C(C)(C)C)n2)C[C@H]1CC ZINC000182236956 402675395 /nfs/dbraw/zinc/67/53/95/402675395.db2.gz QRABJOMMDIIUGO-CYBMUJFWSA-N 1 0 310.442 2.304 10 0 DEAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cccc2c1OCO2 ZINC000191677095 402685929 /nfs/dbraw/zinc/68/59/29/402685929.db2.gz HJFKEVUNNAIJDZ-KYOSRNDESA-N 1 0 303.358 2.189 10 0 DEAERO CCCCc1nc(CN2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000173931713 402720080 /nfs/dbraw/zinc/72/00/80/402720080.db2.gz YKHWATMWIRSRRU-OAHLLOKOSA-N 1 0 309.479 2.392 10 0 DEAERO COCCN1CC[N@H+](CCCc2ccccc2OC)C[C@@H]1C ZINC000182441284 402690060 /nfs/dbraw/zinc/69/00/60/402690060.db2.gz UIZLGBGYYSDUBL-INIZCTEOSA-N 1 0 306.450 2.280 10 0 DEAERO Cn1cccc1C[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191759836 402690248 /nfs/dbraw/zinc/69/02/48/402690248.db2.gz RAZIFAIUPAMKLC-MRXNPFEDSA-N 1 0 301.365 2.055 10 0 DEAERO Cc1ccc(/C=C\CC(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000255549689 402690905 /nfs/dbraw/zinc/69/09/05/402690905.db2.gz HSQYWEIYHWRDMT-CHYADLBTSA-N 1 0 315.461 2.150 10 0 DEAERO CCc1cnc(CCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000173391222 402695701 /nfs/dbraw/zinc/69/57/01/402695701.db2.gz AGQBTZVDMPOESY-OLZOCXBDSA-N 1 0 324.494 2.372 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c2c1CCCCC2 ZINC000191928375 402698828 /nfs/dbraw/zinc/69/88/28/402698828.db2.gz MRHCOFMXFHWCSV-UONOGXRCSA-N 1 0 316.449 2.377 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)C)nn2C)[C@H](C)C1 ZINC000173464896 402698977 /nfs/dbraw/zinc/69/89/77/402698977.db2.gz CANBSXGPCXEEHJ-UKRRQHHQSA-N 1 0 306.454 2.346 10 0 DEAERO CCc1cnc(CCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000173959734 402721863 /nfs/dbraw/zinc/72/18/63/402721863.db2.gz XGRUZCARENUOJF-LBPRGKRZSA-N 1 0 322.478 2.032 10 0 DEAERO COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000174172254 402729911 /nfs/dbraw/zinc/72/99/11/402729911.db2.gz ZBZWKEBDZZHGPK-AGUYFDCRSA-N 1 0 318.417 2.449 10 0 DEAERO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2ccccc2F)C1 ZINC000174221330 402732209 /nfs/dbraw/zinc/73/22/09/402732209.db2.gz RPWRUTAYDMVEKR-CQSZACIVSA-N 1 0 307.413 2.428 10 0 DEAERO C[C@H]([NH3+])CCC(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000262841820 402735561 /nfs/dbraw/zinc/73/55/61/402735561.db2.gz RIRHAPJAADSTFF-HZMBPMFUSA-N 1 0 302.378 2.480 10 0 DEAERO COCc1csc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000174376729 402738437 /nfs/dbraw/zinc/73/84/37/402738437.db2.gz WWFUYWSDXYCRKJ-PWSUYJOCSA-N 1 0 312.439 2.236 10 0 DEAERO COCc1csc(NC(=O)NCC[N@H+](C)C2CCCC2)n1 ZINC000174375041 402738546 /nfs/dbraw/zinc/73/85/46/402738546.db2.gz IMEURDJJQSTZPS-UHFFFAOYSA-N 1 0 312.439 2.285 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1nc(COC)cs1 ZINC000174398238 402739596 /nfs/dbraw/zinc/73/95/96/402739596.db2.gz JFKDGJLDOULQPB-JTQLQIEISA-N 1 0 300.428 2.141 10 0 DEAERO COCc1csc(NC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000174402723 402739691 /nfs/dbraw/zinc/73/96/91/402739691.db2.gz MCBXWQHJMRLRRE-UHFFFAOYSA-N 1 0 310.423 2.038 10 0 DEAERO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2nccn2C)C1 ZINC000183112185 402740106 /nfs/dbraw/zinc/74/01/06/402740106.db2.gz PFEQXECRLGGPFZ-UONOGXRCSA-N 1 0 300.406 2.358 10 0 DEAERO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000183130093 402741670 /nfs/dbraw/zinc/74/16/70/402741670.db2.gz JRMYNCLFCJWXAK-UVBJJODRSA-N 1 0 306.381 2.303 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)[C@@H]1CCCO1 ZINC000183174747 402744530 /nfs/dbraw/zinc/74/45/30/402744530.db2.gz IUTBZZXTCBNGIT-PBHICJAKSA-N 1 0 302.418 2.335 10 0 DEAERO C[C@H]([NH2+]CC(=O)NCC1CCC1)c1ccccc1-n1cccn1 ZINC000183173718 402744702 /nfs/dbraw/zinc/74/47/02/402744702.db2.gz LLTWHHAKNLZDMZ-AWEZNQCLSA-N 1 0 312.417 2.439 10 0 DEAERO CSc1cc2c(cc1CN1CC[NH2+]C(C)(C)C1)OCCO2 ZINC000263229929 402747858 /nfs/dbraw/zinc/74/78/58/402747858.db2.gz HVFTYFGEKOGWRS-UHFFFAOYSA-N 1 0 308.447 2.364 10 0 DEAERO O=C(NCc1ccn(C2CCCC2)n1)C1CC[NH+](C2CC2)CC1 ZINC000192755187 402748231 /nfs/dbraw/zinc/74/82/31/402748231.db2.gz DYOFHCGYPWLFAQ-UHFFFAOYSA-N 1 0 316.449 2.489 10 0 DEAERO Cc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c(C)n1C1CC1 ZINC000263236965 402748841 /nfs/dbraw/zinc/74/88/41/402748841.db2.gz OEIOFAFHWMRNOX-CQSZACIVSA-N 1 0 301.394 2.066 10 0 DEAERO O=C(NCC1(c2ccc(F)cc2)CCC1)[C@H]1CC(F)(F)CN1 ZINC000263249393 402750024 /nfs/dbraw/zinc/75/00/24/402750024.db2.gz PRDDPKGRKGZVAD-CYBMUJFWSA-N 1 0 312.335 2.361 10 0 DEAERO O=C(NCc1c(F)cccc1OC(F)F)[C@@H]1CC(F)(F)CN1 ZINC000263247471 402750102 /nfs/dbraw/zinc/75/01/02/402750102.db2.gz PLMFSQFENSERES-VIFPVBQESA-N 1 0 324.249 2.041 10 0 DEAERO COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C)OC)CC[N@@H+]2C2CC2)c1 ZINC000183258406 402750915 /nfs/dbraw/zinc/75/09/15/402750915.db2.gz SARMJUCZPBKZJV-JCURWCKSSA-N 1 0 318.417 2.124 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N(C)CC[NH2+]C)cc1 ZINC000263263163 402751735 /nfs/dbraw/zinc/75/17/35/402751735.db2.gz UDDLUJHXQDQCAS-UHFFFAOYSA-N 1 0 306.406 2.116 10 0 DEAERO C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@@H](O)c1ccc(F)cc1 ZINC000183613276 402781552 /nfs/dbraw/zinc/78/15/52/402781552.db2.gz HVRQIZPTMIQWCP-MEDUHNTESA-N 1 0 317.364 2.139 10 0 DEAERO Cc1cc(C)cc(C2(c3nc([C@@H]4C[NH2+]CCN4C)no3)CC2)c1 ZINC000263317363 402757980 /nfs/dbraw/zinc/75/79/80/402757980.db2.gz ZSBAZCBOUBLMQQ-HNNXBMFYSA-N 1 0 312.417 2.342 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCc1ccccc1-n1cccn1 ZINC000183465789 402769622 /nfs/dbraw/zinc/76/96/22/402769622.db2.gz BGIOLVVBSNRHSC-UHFFFAOYSA-N 1 0 321.384 2.263 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(OC)cc1 ZINC000175008543 402771228 /nfs/dbraw/zinc/77/12/28/402771228.db2.gz RWCGZLPYMNHVAT-JKSUJKDBSA-N 1 0 302.418 2.323 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)noc1C ZINC000175013659 402771239 /nfs/dbraw/zinc/77/12/39/402771239.db2.gz DFWOCHCGOSZAEB-HUUCEWRRSA-N 1 0 305.422 2.309 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccccc1F ZINC000175009465 402771246 /nfs/dbraw/zinc/77/12/46/402771246.db2.gz CQJXZEURKAMKBO-UONOGXRCSA-N 1 0 306.381 2.290 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)nn(C)c1C ZINC000175050235 402774973 /nfs/dbraw/zinc/77/49/73/402774973.db2.gz SQAWFLCUACYDEH-HZPDHXFCSA-N 1 0 318.465 2.055 10 0 DEAERO CCc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H]2CCCOC2)cc1 ZINC000183563489 402776296 /nfs/dbraw/zinc/77/62/96/402776296.db2.gz XNIFQARHTAVSFC-MOPGFXCFSA-N 1 0 318.461 2.391 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c(C)s1 ZINC000193837839 402776501 /nfs/dbraw/zinc/77/65/01/402776501.db2.gz RYTWXKMWLYCXJW-UHFFFAOYSA-N 1 0 302.465 2.080 10 0 DEAERO O=C(C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000194305170 402790868 /nfs/dbraw/zinc/79/08/68/402790868.db2.gz WRPXBQZAWOYEBO-UHFFFAOYSA-N 1 0 300.402 2.204 10 0 DEAERO Cc1cccc(-c2noc(C[N@@H+]3CCC[C@H](CC(N)=O)C3)n2)c1 ZINC000175242509 402790961 /nfs/dbraw/zinc/79/09/61/402790961.db2.gz USMDSFHZUDUZMM-CYBMUJFWSA-N 1 0 314.389 2.132 10 0 DEAERO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000175252472 402791415 /nfs/dbraw/zinc/79/14/15/402791415.db2.gz XLVVJOXSZNCLJO-LSDHHAIUSA-N 1 0 304.438 2.071 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(-n3cccn3)cc2)C1 ZINC000194331650 402792762 /nfs/dbraw/zinc/79/27/62/402792762.db2.gz RSKLQAFKRMFUMU-HNNXBMFYSA-N 1 0 313.405 2.478 10 0 DEAERO O=C(c1cc(F)cc2[nH]c(=S)[nH]c21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195336095 402842118 /nfs/dbraw/zinc/84/21/18/402842118.db2.gz ZWCSOHGTRYUKRI-SNVBAGLBSA-N 1 0 320.393 2.285 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183781583 402797263 /nfs/dbraw/zinc/79/72/63/402797263.db2.gz LDHSUFNAVGQECP-UHFFFAOYSA-N 1 0 320.437 2.118 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000175362614 402800228 /nfs/dbraw/zinc/80/02/28/402800228.db2.gz JLELMQGVRUTPQK-IAGOWNOFSA-N 1 0 317.433 2.428 10 0 DEAERO CC(C)OCC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183878319 402803019 /nfs/dbraw/zinc/80/30/19/402803019.db2.gz MBIOAGRREYDXRQ-CYBMUJFWSA-N 1 0 302.212 2.497 10 0 DEAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)CC2 ZINC000183898759 402804046 /nfs/dbraw/zinc/80/40/46/402804046.db2.gz OPCZDHCVUMEYJW-CHWSQXEVSA-N 1 0 322.453 2.426 10 0 DEAERO CC1(C)CCC(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000175446801 402807193 /nfs/dbraw/zinc/80/71/93/402807193.db2.gz OPHAKQVOLHXXIB-OAHLLOKOSA-N 1 0 311.470 2.101 10 0 DEAERO COC[C@@H](C)CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000194671681 402809322 /nfs/dbraw/zinc/80/93/22/402809322.db2.gz POUQMDPXGDEGIR-HNNXBMFYSA-N 1 0 319.449 2.364 10 0 DEAERO C[C@@H](CCNC(=O)N[C@@H]1CCCOC1)[N@H+](C)Cc1ccccc1 ZINC000175476037 402809421 /nfs/dbraw/zinc/80/94/21/402809421.db2.gz YZIJABPVQRNFTE-DOTOQJQBSA-N 1 0 319.449 2.375 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000194696172 402811298 /nfs/dbraw/zinc/81/12/98/402811298.db2.gz BBVGYJWTMNADHS-ZDUSSCGKSA-N 1 0 304.438 2.340 10 0 DEAERO Cn1nnc2ccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc21 ZINC000184014470 402812102 /nfs/dbraw/zinc/81/21/02/402812102.db2.gz KXVMWRAAFYRCMS-HNNXBMFYSA-N 1 0 317.437 2.065 10 0 DEAERO COc1cccc([C@H](C)[NH+]2CCC(N3CCNC3=O)CC2)c1 ZINC000175587266 402819602 /nfs/dbraw/zinc/81/96/02/402819602.db2.gz BKLVZWUMGSNJAS-ZDUSSCGKSA-N 1 0 303.406 2.246 10 0 DEAERO O=C(COc1ccc(F)cc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195061809 402829593 /nfs/dbraw/zinc/82/95/93/402829593.db2.gz FRPKBSIASFBXAG-CYBMUJFWSA-N 1 0 310.344 2.040 10 0 DEAERO COc1ccc(C)nc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000184252943 402830691 /nfs/dbraw/zinc/83/06/91/402830691.db2.gz YTXIICNGZVUYBE-CQSZACIVSA-N 1 0 318.421 2.491 10 0 DEAERO CCc1nnc(CN2CCC[N@H+](CC3CCCCC3)CC2)n1C ZINC000195097782 402831518 /nfs/dbraw/zinc/83/15/18/402831518.db2.gz XMIUQCAGQUVZTO-UHFFFAOYSA-N 1 0 319.497 2.466 10 0 DEAERO C[S@@](=O)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000175774657 402831763 /nfs/dbraw/zinc/83/17/63/402831763.db2.gz LHUJQKGMVKGJSQ-JLCFBVMHSA-N 1 0 321.446 2.126 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N[C@@H]1COc2ccccc21 ZINC000195197379 402835845 /nfs/dbraw/zinc/83/58/45/402835845.db2.gz APIKAPFUFDBIFW-OAHLLOKOSA-N 1 0 303.406 2.295 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](CO)c1ccccc1 ZINC000175865470 402839214 /nfs/dbraw/zinc/83/92/14/402839214.db2.gz DMSRKDHDCPPPRO-IAGOWNOFSA-N 1 0 321.465 2.038 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184406170 402841453 /nfs/dbraw/zinc/84/14/53/402841453.db2.gz NJWHHGSWAVVXRK-MWLCHTKSSA-N 1 0 312.772 2.493 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(O)c(F)c2)CC[N@@H+]1C ZINC000175191540 402786579 /nfs/dbraw/zinc/78/65/79/402786579.db2.gz YSWATNWQTYDCEG-DGCLKSJQSA-N 1 0 309.385 2.155 10 0 DEAERO CC[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Oc1ccccc1F ZINC000175956996 402844981 /nfs/dbraw/zinc/84/49/81/402844981.db2.gz AUTWEHLJCQEPFX-UONOGXRCSA-N 1 0 323.412 2.329 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000175969617 402845388 /nfs/dbraw/zinc/84/53/88/402845388.db2.gz RLTFJZKIKLEAKU-UHFFFAOYSA-N 1 0 303.366 2.198 10 0 DEAERO CCCC[C@H](CCC)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000175988707 402846302 /nfs/dbraw/zinc/84/63/02/402846302.db2.gz YVGBOFGHORFNBC-JKSUJKDBSA-N 1 0 313.486 2.491 10 0 DEAERO CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504859 402848009 /nfs/dbraw/zinc/84/80/09/402848009.db2.gz FCSNUFXHDHTOTB-ZDUSSCGKSA-N 1 0 306.454 2.293 10 0 DEAERO CCCCCNC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504843 402848093 /nfs/dbraw/zinc/84/80/93/402848093.db2.gz ASVSFAQSTNGHHD-CQSZACIVSA-N 1 0 306.454 2.294 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2COc3ccccc32)C1 ZINC000176036442 402849138 /nfs/dbraw/zinc/84/91/38/402849138.db2.gz LIETUICADAZVLW-UMVBOHGHSA-N 1 0 303.406 2.292 10 0 DEAERO Cc1nc(C[C@@H]2CCC[N@H+](CCOCC(F)(F)F)C2)no1 ZINC000195518296 402850364 /nfs/dbraw/zinc/85/03/64/402850364.db2.gz XYTPMDFYLCYCOK-NSHDSACASA-N 1 0 307.316 2.211 10 0 DEAERO CC[N@H+](CC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)C1CC1 ZINC000271502053 402877049 /nfs/dbraw/zinc/87/70/49/402877049.db2.gz ZARBIBRRZFVVPH-BBRMVZONSA-N 1 0 324.371 2.083 10 0 DEAERO COC(C)(C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272393816 402931397 /nfs/dbraw/zinc/93/13/97/402931397.db2.gz DCAYSCOIFKEQFK-HOCLYGCPSA-N 1 0 304.434 2.438 10 0 DEAERO CC(C)(C)c1nnc2ccc(N3CC[N@@H+]4CCCC[C@H]4C3)nn21 ZINC000274706428 403080252 /nfs/dbraw/zinc/08/02/52/403080252.db2.gz WIRYEAGAFYRZPW-ZDUSSCGKSA-N 1 0 314.437 2.096 10 0 DEAERO CC(=O)N(C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000276339542 403165674 /nfs/dbraw/zinc/16/56/74/403165674.db2.gz HBVVFFODJDKDDQ-MSOLQXFVSA-N 1 0 320.408 2.334 10 0 DEAERO Cc1cn2cc(NC(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)ccc2n1 ZINC000271233473 403282212 /nfs/dbraw/zinc/28/22/12/403282212.db2.gz DSJVDPDQPCKWHK-DZGCQCFKSA-N 1 0 313.405 2.343 10 0 DEAERO Cc1cnn(C)c1C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000285861572 403398043 /nfs/dbraw/zinc/39/80/43/403398043.db2.gz IPGSDYYOUXGPFN-CYBMUJFWSA-N 1 0 308.426 2.075 10 0 DEAERO CC(=O)CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)[C@@H]2C)cc1 ZINC000293532190 403497030 /nfs/dbraw/zinc/49/70/30/403497030.db2.gz XEIWVAPEKSOPSX-UKPHBRMFSA-N 1 0 305.418 2.288 10 0 DEAERO CCn1ccnc1[C@H]([NH2+]CC1CCOCC1)C1CCOCC1 ZINC000343404329 403573738 /nfs/dbraw/zinc/57/37/38/403573738.db2.gz RGTBTUZRIZRYFM-MRXNPFEDSA-N 1 0 307.438 2.387 10 0 DEAERO CSc1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nn1 ZINC000301260973 403607585 /nfs/dbraw/zinc/60/75/85/403607585.db2.gz FYRWHSFRCGXASM-LBPRGKRZSA-N 1 0 308.451 2.111 10 0 DEAERO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000333065855 403658578 /nfs/dbraw/zinc/65/85/78/403658578.db2.gz JCIWRDIOKJJSNQ-QBPKDAKJSA-N 1 0 324.465 2.094 10 0 DEAERO C[NH2+]C[C@H]1CCCN(C(=O)Nc2cccc3c2OCCC3=O)C1 ZINC000333084250 403662791 /nfs/dbraw/zinc/66/27/91/403662791.db2.gz BFZNXHSGGYCSTG-GFCCVEGCSA-N 1 0 317.389 2.115 10 0 DEAERO COc1nc(C)nc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000301862618 403691672 /nfs/dbraw/zinc/69/16/72/403691672.db2.gz CPYIRRXCVRTPIG-STQMWFEESA-N 1 0 322.453 2.403 10 0 DEAERO Cc1nc2c(c(N3CCCC[C@@H]3[C@H]3CNC(=O)C3)n1)CCCC2 ZINC000302102873 403707608 /nfs/dbraw/zinc/70/76/08/403707608.db2.gz QMBNNXGKXBLHBT-CZUORRHYSA-N 1 0 314.433 2.159 10 0 DEAERO C[C@H](c1nnnn1C1CCCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000333269913 403712187 /nfs/dbraw/zinc/71/21/87/403712187.db2.gz KGHNCMFOOWURLM-CYBMUJFWSA-N 1 0 304.442 2.067 10 0 DEAERO CCNC(=O)N1CCc2ccc(N[C@@H]3CCC[NH2+]CC3)cc21 ZINC000333288686 403717460 /nfs/dbraw/zinc/71/74/60/403717460.db2.gz OAJKOQBRVAAQAW-CQSZACIVSA-N 1 0 302.422 2.333 10 0 DEAERO C[C@H]1CN(C(=O)Nc2ccc3cc[nH]c(=O)c3c2)C[C@H]1[NH+](C)C ZINC000333438975 403752407 /nfs/dbraw/zinc/75/24/07/403752407.db2.gz WARNOKSFTTYNJC-XHDPSFHLSA-N 1 0 314.389 2.354 10 0 DEAERO Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333658828 403806246 /nfs/dbraw/zinc/80/62/46/403806246.db2.gz AVOXQCADJFRUDV-DZGCQCFKSA-N 1 0 313.405 2.190 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c2ccccc2O1 ZINC000333731645 403836030 /nfs/dbraw/zinc/83/60/30/403836030.db2.gz HWTUYALMFMUBIV-CTHBEMJXSA-N 1 0 303.406 2.196 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000333715438 403829564 /nfs/dbraw/zinc/82/95/64/403829564.db2.gz SXYIWGAAHSQNNF-JHJVBQTASA-N 1 0 308.451 2.378 10 0 DEAERO c1ncc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc1OC1CCCCC1 ZINC000333881451 403896925 /nfs/dbraw/zinc/89/69/25/403896925.db2.gz DPUBDCUQZAOLDR-HIFRSBDPSA-N 1 0 302.422 2.376 10 0 DEAERO O=C(N[C@H]1CCCC12CCOCC2)N1CCC2(CC[NH2+]C2)CC1 ZINC000333751467 403845496 /nfs/dbraw/zinc/84/54/96/403845496.db2.gz KBACGQUCCRYCAP-HNNXBMFYSA-N 1 0 321.465 2.121 10 0 DEAERO Cc1ccc2ncnc(N[C@H](CO)C[NH+]3CCCCC3)c2c1 ZINC000289185974 403865736 /nfs/dbraw/zinc/86/57/36/403865736.db2.gz SLNUFZUBEGBENU-AWEZNQCLSA-N 1 0 300.406 2.197 10 0 DEAERO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCSC[C@H]1CCO ZINC000361829851 403891679 /nfs/dbraw/zinc/89/16/79/403891679.db2.gz IVTMKEDLEGTDIG-QGZVFWFLSA-N 1 0 317.458 2.481 10 0 DEAERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)[C@@H]1CCCOC1 ZINC000333964427 403907882 /nfs/dbraw/zinc/90/78/82/403907882.db2.gz PAFXPDKTADDTPJ-KMFMINBZSA-N 1 0 318.417 2.113 10 0 DEAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000310230826 403966093 /nfs/dbraw/zinc/96/60/93/403966093.db2.gz ZCPBWJBWFFIJDN-RKDXNWHRSA-N 1 0 315.236 2.366 10 0 DEAERO c1cn(-c2csc(C[NH2+][C@H]3CCO[C@]4(CCOC4)C3)c2)cn1 ZINC000344332157 404064853 /nfs/dbraw/zinc/06/48/53/404064853.db2.gz YFCLWIXPCIWBGS-XJKSGUPXSA-N 1 0 319.430 2.362 10 0 DEAERO C(c1noc([C@@]23CCC[C@@H]2C[N@@H+]([C@H]2CCOC2)C3)n1)C1CC1 ZINC000329152343 404246504 /nfs/dbraw/zinc/24/65/04/404246504.db2.gz AQFHTVMKLILCIG-JKIFEVAISA-N 1 0 303.406 2.165 10 0 DEAERO COC(=O)[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000355156958 404251057 /nfs/dbraw/zinc/25/10/57/404251057.db2.gz RLHZYWYTTXSLOD-LNRIEFBSSA-N 1 0 302.418 2.333 10 0 DEAERO CC(=O)Oc1ccc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000369857384 404252513 /nfs/dbraw/zinc/25/25/13/404252513.db2.gz RDDFMJIYNWWGRF-GOSISDBHSA-N 1 0 319.401 2.382 10 0 DEAERO CN1CCC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1=O ZINC000344605529 404257259 /nfs/dbraw/zinc/25/72/59/404257259.db2.gz CSWFKMLFSCVAKR-GFCCVEGCSA-N 1 0 315.186 2.299 10 0 DEAERO COCCOC[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000296462105 404261333 /nfs/dbraw/zinc/26/13/33/404261333.db2.gz JJLRXMUMAJFMTL-DOMZBBRYSA-N 1 0 301.814 2.357 10 0 DEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C12CCC2 ZINC000329225376 404271522 /nfs/dbraw/zinc/27/15/22/404271522.db2.gz DAUGVGSVNZJHDJ-MUIFIZLQSA-N 1 0 316.449 2.239 10 0 DEAERO c1ccc([C@H]([NH2+]CCCN2CCOCC2)[C@H]2CCOC2)cc1 ZINC000341878084 404229670 /nfs/dbraw/zinc/22/96/70/404229670.db2.gz QJAXHRHWHLDARB-ROUUACIJSA-N 1 0 304.434 2.076 10 0 DEAERO C1CCC([NH+]2CCN(c3nnc(C4CCOCC4)s3)CC2)C1 ZINC000338645148 404457547 /nfs/dbraw/zinc/45/75/47/404457547.db2.gz SZKQTIXQASTFPE-UHFFFAOYSA-N 1 0 322.478 2.497 10 0 DEAERO Cc1n[nH]c(C)c1[C@@H]1COCCN1C[C@H](O)C1CCCCC1 ZINC000373699995 404563054 /nfs/dbraw/zinc/56/30/54/404563054.db2.gz KXDKAWXOXCAANB-HOTGVXAUSA-N 1 0 307.438 2.341 10 0 DEAERO Brc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)o1 ZINC000365154440 404563772 /nfs/dbraw/zinc/56/37/72/404563772.db2.gz GLXUEYHRFAYHPD-ZWNOBZJWSA-N 1 0 316.195 2.470 10 0 DEAERO c1c(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)nc2ncccn12 ZINC000297723292 404603321 /nfs/dbraw/zinc/60/33/21/404603321.db2.gz SAPDVDYIHOCEAL-HNNXBMFYSA-N 1 0 316.405 2.285 10 0 DEAERO c1c(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)nc2ncccn12 ZINC000297822796 404633726 /nfs/dbraw/zinc/63/37/26/404633726.db2.gz ZBTIJOLQVQUCKF-QGZVFWFLSA-N 1 0 321.428 2.484 10 0 DEAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000377363022 404837103 /nfs/dbraw/zinc/83/71/03/404837103.db2.gz SGQFPSNEPLVRMR-USXIJHARSA-N 1 0 306.450 2.348 10 0 DEAERO Cc1nccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1 ZINC000366494823 404803121 /nfs/dbraw/zinc/80/31/21/404803121.db2.gz ZZGMUEVGUGLOKS-AWEZNQCLSA-N 1 0 316.449 2.256 10 0 DEAERO C[C@H]1C[C@H](NC(=O)N(C)CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000367009402 404896596 /nfs/dbraw/zinc/89/65/96/404896596.db2.gz GMKOPSNTZTWFGZ-DOTOQJQBSA-N 1 0 319.449 2.063 10 0 DEAERO OC[C@H](C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)[C@H]1CCOC1 ZINC000360871563 404841681 /nfs/dbraw/zinc/84/16/81/404841681.db2.gz JUPOHYNEKJZIDS-XGXHKWSGSA-N 1 0 319.445 2.389 10 0 DEAERO CC(C)COCCC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000360883982 404844685 /nfs/dbraw/zinc/84/46/85/404844685.db2.gz MHTYUSFMSINWDE-UHFFFAOYSA-N 1 0 310.413 2.436 10 0 DEAERO O=C(CCn1ccnc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000360927130 404854028 /nfs/dbraw/zinc/85/40/28/404854028.db2.gz DAPPJYJVPMKIEZ-KRWDZBQOSA-N 1 0 318.465 2.388 10 0 DEAERO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H]4C(=O)NC[C@H]43)cc2)n1 ZINC000366870124 404861298 /nfs/dbraw/zinc/86/12/98/404861298.db2.gz RDCMQQFYEZIYHD-QZTJIDSGSA-N 1 0 324.428 2.200 10 0 DEAERO CCc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000435036277 404952879 /nfs/dbraw/zinc/95/28/79/404952879.db2.gz SKQLWPBITRKSHS-INIZCTEOSA-N 1 0 321.808 2.076 10 0 DEAERO O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000367179213 404956971 /nfs/dbraw/zinc/95/69/71/404956971.db2.gz NIMNYCZRIIEGCQ-ONIAQPFYSA-N 1 0 314.429 2.445 10 0 DEAERO NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435136166 404959583 /nfs/dbraw/zinc/95/95/83/404959583.db2.gz YZMRCABZXAYFQI-LBPRGKRZSA-N 1 0 302.378 2.147 10 0 DEAERO c1cc(-c2ccc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)o2)n[nH]1 ZINC000435135563 404959700 /nfs/dbraw/zinc/95/97/00/404959700.db2.gz ROWHPEMQRJOKHS-OAHLLOKOSA-N 1 0 317.389 2.440 10 0 DEAERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccnnc1 ZINC000378269331 404912667 /nfs/dbraw/zinc/91/26/67/404912667.db2.gz POSPQENSOAYJBX-OAHLLOKOSA-N 1 0 310.401 2.213 10 0 DEAERO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000367058865 404913799 /nfs/dbraw/zinc/91/37/99/404913799.db2.gz YOHNBQSGYCJZHL-FDPSAONLSA-N 1 0 314.429 2.459 10 0 DEAERO c1nn2ccccc2c1C[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000367216383 404970204 /nfs/dbraw/zinc/97/02/04/404970204.db2.gz CJMZOBDTIOHOSW-UHFFFAOYSA-N 1 0 304.357 2.409 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)Cc2ccc(F)cc2F)C1 ZINC000379274635 405026278 /nfs/dbraw/zinc/02/62/78/405026278.db2.gz NXMKDAXCVJYXRQ-ZYHUDNBSSA-N 1 0 322.277 2.388 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(Br)c2)C1 ZINC000389952818 405043402 /nfs/dbraw/zinc/04/34/02/405043402.db2.gz DRWFSLYGKMFLNM-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2Br)C1 ZINC000389975136 405043661 /nfs/dbraw/zinc/04/36/61/405043661.db2.gz IQELDQOCGUMZIC-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO C[C@H]1CCOCC[N@@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000367460166 405056604 /nfs/dbraw/zinc/05/66/04/405056604.db2.gz YYGYOZSLWUJJDX-PKOBYXMFSA-N 1 0 318.461 2.388 10 0 DEAERO COc1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cn1 ZINC000367476891 405063210 /nfs/dbraw/zinc/06/32/10/405063210.db2.gz KHQDOSDIZQKLOT-ZDUSSCGKSA-N 1 0 300.362 2.340 10 0 DEAERO Fc1ccc(OCC[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000361438443 405075818 /nfs/dbraw/zinc/07/58/18/405075818.db2.gz ZGDPTUUXBCRQGN-KRWDZBQOSA-N 1 0 309.381 2.474 10 0 DEAERO Cc1ccn2ncc(C(=O)Nc3ccccc3CC[NH+](C)C)c2n1 ZINC000354182572 405084788 /nfs/dbraw/zinc/08/47/88/405084788.db2.gz RLOURJZPRDHFOD-UHFFFAOYSA-N 1 0 323.400 2.394 10 0 DEAERO Cc1cc(=O)[nH]c(C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000408025055 405092532 /nfs/dbraw/zinc/09/25/32/405092532.db2.gz NGKDOVIWRCUFNN-TZMCWYRMSA-N 1 0 300.362 2.015 10 0 DEAERO C/C=C\C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(=O)OCC ZINC000361548610 405127041 /nfs/dbraw/zinc/12/70/41/405127041.db2.gz GWLWBSWVRWQDEU-VASHYATMSA-N 1 0 310.438 2.265 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nc(-c2ccoc2)no1 ZINC000408183447 405132517 /nfs/dbraw/zinc/13/25/17/405132517.db2.gz RTOAQGGBSXEMEB-JSGCOSHPSA-N 1 0 302.378 2.388 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ncc(Br)s1 ZINC000367683097 405124399 /nfs/dbraw/zinc/12/43/99/405124399.db2.gz CGTSFSPCJHKZND-BGZDPUMWSA-N 1 0 303.225 2.449 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000408183688 405132776 /nfs/dbraw/zinc/13/27/76/405132776.db2.gz SMYXEHVXGIAKJY-GUYCJALGSA-N 1 0 315.417 2.344 10 0 DEAERO Cn1nnc2cc(C[N@@H+]3CC[C@@H](C(C)(C)C)[C@@H](O)C3)ccc21 ZINC000408198539 405136912 /nfs/dbraw/zinc/13/69/12/405136912.db2.gz NHMZWAPSHPLXHM-CJNGLKHVSA-N 1 0 302.422 2.197 10 0 DEAERO c1cnn([C@@H]2CC[N@@H+](CCOCCOc3ccccc3)C2)c1 ZINC000361590814 405149364 /nfs/dbraw/zinc/14/93/64/405149364.db2.gz KLZYCWKOWQKMSK-MRXNPFEDSA-N 1 0 301.390 2.226 10 0 DEAERO CC(C)c1nnc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000408265027 405156541 /nfs/dbraw/zinc/15/65/41/405156541.db2.gz ODZOOXLQGWJHHY-NEPJUHHUSA-N 1 0 323.466 2.040 10 0 DEAERO CC(C)(C)[C@@H]1CCN(c2cc(N3CCCC3)ncn2)C[C@@H]1O ZINC000408396502 405196121 /nfs/dbraw/zinc/19/61/21/405196121.db2.gz ZAXXWKUEJSFFCX-KGLIPLIRSA-N 1 0 304.438 2.310 10 0 DEAERO COc1ccc(CC[NH2+][C@@H](C)C2(OC)CCOCC2)c(OC)c1 ZINC000453093035 405283504 /nfs/dbraw/zinc/28/35/04/405283504.db2.gz RSWQMSYKGBEKPR-AWEZNQCLSA-N 1 0 323.433 2.420 10 0 DEAERO OCCC1([NH2+]C[C@H](O)COCc2cccs2)CCCCC1 ZINC000440907011 405330154 /nfs/dbraw/zinc/33/01/54/405330154.db2.gz JCQFHVCEGDFGKV-AWEZNQCLSA-N 1 0 313.463 2.301 10 0 DEAERO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)CCCO)cc1 ZINC000440953418 405331762 /nfs/dbraw/zinc/33/17/62/405331762.db2.gz VPZHTFLDLMRHQC-OAHLLOKOSA-N 1 0 306.450 2.377 10 0 DEAERO c1cc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)co1 ZINC000420376942 405337781 /nfs/dbraw/zinc/33/77/81/405337781.db2.gz AULWPDUFZZULSL-TZMCWYRMSA-N 1 0 302.378 2.294 10 0 DEAERO Cc1cc(C[C@H](C)NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)[nH]n1 ZINC000445222169 405349335 /nfs/dbraw/zinc/34/93/35/405349335.db2.gz KATOIMZWVQRILJ-ZDUSSCGKSA-N 1 0 321.469 2.070 10 0 DEAERO COc1nsc(C[NH2+]CC[C@H](C)OC)c1Br ZINC000638486029 405501638 /nfs/dbraw/zinc/50/16/38/405501638.db2.gz OGSALSZVYNZHIF-ZETCQYMHSA-N 1 0 309.229 2.429 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2cccc3ccoc32)CC12COC2 ZINC000449363850 405525188 /nfs/dbraw/zinc/52/51/88/405525188.db2.gz MMLLTDYLAGKVBO-OAHLLOKOSA-N 1 0 315.369 2.444 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)COc1ccc(F)cc1Cl ZINC000638567824 405549729 /nfs/dbraw/zinc/54/97/29/405549729.db2.gz CMYGFOHVYNNKBQ-NWDGAFQWSA-N 1 0 300.761 2.115 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1ccc(Br)cc1 ZINC000638568723 405550305 /nfs/dbraw/zinc/55/03/05/405550305.db2.gz UNSMLAJXVXIIGA-QWHCGFSZSA-N 1 0 311.223 2.248 10 0 DEAERO COc1nsc(C[NH2+]C[C@H](O)C(C)C)c1Br ZINC000638603938 405568405 /nfs/dbraw/zinc/56/84/05/405568405.db2.gz LNIORKAOMHQASN-ZETCQYMHSA-N 1 0 309.229 2.021 10 0 DEAERO O[C@@H]1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000449475773 405578482 /nfs/dbraw/zinc/57/84/82/405578482.db2.gz UVGUHVSJYBZWJH-RCCFBDPRSA-N 1 0 312.417 2.393 10 0 DEAERO CC(=O)c1cccc(OCCCC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000638646356 405591698 /nfs/dbraw/zinc/59/16/98/405591698.db2.gz CDLWVEIWARTPMI-CJNGLKHVSA-N 1 0 318.417 2.305 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)Cc2ccccc2Br)C[NH2+]1 ZINC000638653654 405596935 /nfs/dbraw/zinc/59/69/35/405596935.db2.gz PYRXWKBZHTVOIP-CMPLNLGQSA-N 1 0 311.223 2.248 10 0 DEAERO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000458798567 405597915 /nfs/dbraw/zinc/59/79/15/405597915.db2.gz YZSHTDCDBVGSRL-CYBMUJFWSA-N 1 0 315.421 2.094 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)COc2ccc(F)cc2Cl)C[NH2+]1 ZINC000638656864 405599941 /nfs/dbraw/zinc/59/99/41/405599941.db2.gz LNCHMCMEGKTYBO-KOLCDFICSA-N 1 0 300.761 2.115 10 0 DEAERO O=C(NCC1CCCCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000458999727 405685838 /nfs/dbraw/zinc/68/58/38/405685838.db2.gz BMDXXVPUBRTFIV-QGZVFWFLSA-N 1 0 323.481 2.321 10 0 DEAERO CS(=O)(=O)CC[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178136882 286597684 /nfs/dbraw/zinc/59/76/84/286597684.db2.gz MEOIXVMBZGSOHI-CQSZACIVSA-N 1 0 309.431 2.457 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](CCCc2ccccc2C)CC1 ZINC000494452211 405701000 /nfs/dbraw/zinc/70/10/00/405701000.db2.gz NQNRQNRBNGMOEV-UHFFFAOYSA-N 1 0 318.461 2.497 10 0 DEAERO c1ccc([C@@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)C2CCC2)nc1 ZINC000528658553 405701129 /nfs/dbraw/zinc/70/11/29/405701129.db2.gz NFZDLPCCEHWHNY-JZXOWHBKSA-N 1 0 301.434 2.376 10 0 DEAERO Cc1nc(C)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000558790052 405701445 /nfs/dbraw/zinc/70/14/45/405701445.db2.gz UGOFLBYXKNMWRJ-UKRRQHHQSA-N 1 0 310.463 2.417 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC000494407601 405691448 /nfs/dbraw/zinc/69/14/48/405691448.db2.gz UCNJKYXLFLGOAI-UHFFFAOYSA-N 1 0 304.434 2.107 10 0 DEAERO O=S(=O)(NCC[NH2+][C@H]1CC[C@@H]1C1CCC1)c1cccs1 ZINC000558696779 405692357 /nfs/dbraw/zinc/69/23/57/405692357.db2.gz CKJVKPYEFOYHHC-OLZOCXBDSA-N 1 0 314.476 2.195 10 0 DEAERO CC(=O)c1cc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c(C)nc1C ZINC000636103078 405742698 /nfs/dbraw/zinc/74/26/98/405742698.db2.gz ZDRKJSJCIKFCHG-HOTGVXAUSA-N 1 0 317.433 2.360 10 0 DEAERO COCc1ccc(C(=O)N2C[C@H]([NH3+])CC[C@H]2C(F)(F)F)cc1 ZINC000583619801 405776937 /nfs/dbraw/zinc/77/69/37/405776937.db2.gz IYOKEHPFNDLQKL-OLZOCXBDSA-N 1 0 316.323 2.327 10 0 DEAERO COc1nsc(C[NH2+]CC[C@H]2CCOC2)c1Br ZINC000639038388 405836223 /nfs/dbraw/zinc/83/62/23/405836223.db2.gz RXBAGIRDXBXZQB-QMMMGPOBSA-N 1 0 321.240 2.430 10 0 DEAERO CCn1nncc1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000459298035 405842301 /nfs/dbraw/zinc/84/23/01/405842301.db2.gz ILEGQYIKXPEKSR-UHFFFAOYSA-N 1 0 305.470 2.386 10 0 DEAERO C[NH+](C)C[C@@](C)(O)CNC(=O)C1=C(c2ccccc2)CCCC1 ZINC000450338875 405843383 /nfs/dbraw/zinc/84/33/83/405843383.db2.gz ZGXNBSRKZGZLGD-IBGZPJMESA-N 1 0 316.445 2.443 10 0 DEAERO CCn1nncc1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000459324381 405854449 /nfs/dbraw/zinc/85/44/49/405854449.db2.gz KJQVDYBDYWKHFK-INIZCTEOSA-N 1 0 305.470 2.242 10 0 DEAERO COc1nsc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1Br ZINC000639121200 405898327 /nfs/dbraw/zinc/89/83/27/405898327.db2.gz NFSPATDFIZBBLV-JGVFFNPUSA-N 1 0 321.240 2.429 10 0 DEAERO c1ccc(-n2nnc(CN3CC[NH+]4CCC3CC4)c2C2CC2)cc1 ZINC000639171401 405943765 /nfs/dbraw/zinc/94/37/65/405943765.db2.gz BVYLBKRILJFVOD-UHFFFAOYSA-N 1 0 323.444 2.425 10 0 DEAERO CC(=O)N1CCC[C@@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639123163 405901986 /nfs/dbraw/zinc/90/19/86/405901986.db2.gz JVLZRZDRHNQZNH-ROUUACIJSA-N 1 0 315.461 2.361 10 0 DEAERO CS(=O)(=O)NCC1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450980288 406009835 /nfs/dbraw/zinc/00/98/35/406009835.db2.gz SUBVUXYONGMWTN-UHFFFAOYSA-N 1 0 300.468 2.138 10 0 DEAERO O[C@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1)Cn1ccnn1 ZINC000459700926 406010241 /nfs/dbraw/zinc/01/02/41/406010241.db2.gz DRVQCUVGKCOWFS-RTBURBONSA-N 1 0 322.412 2.213 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H]1CCNC(=O)CC1)CC2 ZINC000450626488 405976336 /nfs/dbraw/zinc/97/63/36/405976336.db2.gz VKUXDWNRECZBFG-OAHLLOKOSA-N 1 0 314.429 2.206 10 0 DEAERO COc1cccc2c1CC[N@H+](CCOC[C@H]1CCCO1)CC2 ZINC000562333955 405987723 /nfs/dbraw/zinc/98/77/23/405987723.db2.gz FJYCXLHHSYJZFH-MRXNPFEDSA-N 1 0 305.418 2.291 10 0 DEAERO c1csc(N2CCCN(Cc3nc(CC4CC4)no3)CC2)n1 ZINC000639461695 406098509 /nfs/dbraw/zinc/09/85/09/406098509.db2.gz ZHKHWEQEWSXWQC-UHFFFAOYSA-N 1 0 319.434 2.191 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CS1 ZINC000639327188 406046887 /nfs/dbraw/zinc/04/68/87/406046887.db2.gz LMPNHJSMJAYARN-NJAFHUGGSA-N 1 0 319.518 2.286 10 0 DEAERO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532124859 406048028 /nfs/dbraw/zinc/04/80/28/406048028.db2.gz JERDMMJYYAVQTB-LSDHHAIUSA-N 1 0 315.454 2.216 10 0 DEAERO C([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)C1CCSCC1 ZINC000639329551 406048035 /nfs/dbraw/zinc/04/80/35/406048035.db2.gz INWXDSRDYDIKSX-HZPDHXFCSA-N 1 0 310.507 2.363 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc3c2OCCC3)C1 ZINC000532133479 406049658 /nfs/dbraw/zinc/04/96/58/406049658.db2.gz WNBNAGXKMSZLDH-CYBMUJFWSA-N 1 0 303.406 2.475 10 0 DEAERO c1nc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc2c1OCCO2 ZINC000639335477 406053713 /nfs/dbraw/zinc/05/37/13/406053713.db2.gz RHFUWIPKJYZCJV-HDICACEKSA-N 1 0 316.401 2.245 10 0 DEAERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCOCC1CCC1 ZINC000516950338 406115189 /nfs/dbraw/zinc/11/51/89/406115189.db2.gz GHVCUHUVHBEBEG-HNNXBMFYSA-N 1 0 311.470 2.223 10 0 DEAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000533207973 406129629 /nfs/dbraw/zinc/12/96/29/406129629.db2.gz ZVRAWRVSCKWAKJ-CQSZACIVSA-N 1 0 312.454 2.299 10 0 DEAERO CC(=O)c1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)c(C)nc1C ZINC000487162495 406209915 /nfs/dbraw/zinc/20/99/15/406209915.db2.gz QYZYVWCBJOFCMG-CQSZACIVSA-N 1 0 303.406 2.067 10 0 DEAERO Brc1ccnc2c1C[N@H+](CCc1cnccn1)CC2 ZINC000639698938 406210695 /nfs/dbraw/zinc/21/06/95/406210695.db2.gz XLSOLRHIYQOVKA-UHFFFAOYSA-N 1 0 319.206 2.235 10 0 DEAERO COc1cccc2c1[C@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000568217303 406216183 /nfs/dbraw/zinc/21/61/83/406216183.db2.gz NMXLLAMOMNCAMJ-CQSZACIVSA-N 1 0 302.418 2.278 10 0 DEAERO C[C@@H]1OCC[C@H]1[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000536831857 406278643 /nfs/dbraw/zinc/27/86/43/406278643.db2.gz ISTOYRDBEQRAIS-ZWKOPEQDSA-N 1 0 300.196 2.250 10 0 DEAERO Cc1nc(C)c(CNC(=O)NCC[N@H+]2CC=C(C)CC2)s1 ZINC000546567144 406362732 /nfs/dbraw/zinc/36/27/32/406362732.db2.gz USPXKAMJBFYGIR-UHFFFAOYSA-N 1 0 308.451 2.211 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000545844928 406328990 /nfs/dbraw/zinc/32/89/90/406328990.db2.gz RFWWCBGUNHFMHL-OAHLLOKOSA-N 1 0 313.405 2.295 10 0 DEAERO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000488800847 406350485 /nfs/dbraw/zinc/35/04/85/406350485.db2.gz FHRZSBGEGBSFEJ-WMEZAQDKSA-N 1 0 319.445 2.144 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000634985238 406386137 /nfs/dbraw/zinc/38/61/37/406386137.db2.gz ODPPRELOMOSHHO-KGLIPLIRSA-N 1 0 301.452 2.035 10 0 DEAERO Cc1cccc(N(C)C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)c1 ZINC000637907364 406472214 /nfs/dbraw/zinc/47/22/14/406472214.db2.gz NFPLMPOGOXXAGJ-GOSISDBHSA-N 1 0 311.429 2.417 10 0 DEAERO CC(C)CN(C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000637929315 406482148 /nfs/dbraw/zinc/48/21/48/406482148.db2.gz LESNYHMJSHZSFY-KRWDZBQOSA-N 1 0 303.450 2.093 10 0 DEAERO CCCCN(C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000637938003 406486382 /nfs/dbraw/zinc/48/63/82/406486382.db2.gz ZQMVJQQMTICXMX-KRWDZBQOSA-N 1 0 303.450 2.237 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1NC(C)=O ZINC000524648565 406452357 /nfs/dbraw/zinc/45/23/57/406452357.db2.gz DBBFYZBGFDOBEJ-INIZCTEOSA-N 1 0 303.406 2.136 10 0 DEAERO C[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637874243 406456582 /nfs/dbraw/zinc/45/65/82/406456582.db2.gz GFALMFXGXDBFEH-DJIMGWMZSA-N 1 0 303.450 2.141 10 0 DEAERO CC(=O)N1CCC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000637881140 406460047 /nfs/dbraw/zinc/46/00/47/406460047.db2.gz HMNDJHKNKDPYFG-KRWDZBQOSA-N 1 0 301.434 2.067 10 0 DEAERO C[C@H](NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C1CC1 ZINC000637892401 406465637 /nfs/dbraw/zinc/46/56/37/406465637.db2.gz JFIFLYRIUPAWHQ-HNNXBMFYSA-N 1 0 315.461 2.285 10 0 DEAERO CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638006998 406520037 /nfs/dbraw/zinc/52/00/37/406520037.db2.gz JYQDPKVVNOAYFV-UAGQMJEPSA-N 1 0 303.450 2.093 10 0 DEAERO OCCN1CCC[C@H]([NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527655702 406705703 /nfs/dbraw/zinc/70/57/03/406705703.db2.gz NPCGNCQJDYHYKX-JTQLQIEISA-N 1 0 304.768 2.165 10 0 DEAERO c1cc(C[NH2+]CCC[C@H]2CCO2)cc(CN2CCOCC2)c1 ZINC000638386378 406740105 /nfs/dbraw/zinc/74/01/05/406740105.db2.gz LMVIOXBSWTXOPA-SFHVURJKSA-N 1 0 304.434 2.178 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000527668137 406711758 /nfs/dbraw/zinc/71/17/58/406711758.db2.gz ZQDKWOAYWDRVRV-NEPJUHHUSA-N 1 0 302.827 2.180 10 0 DEAERO C[C@H]1CCCC[C@H]1OCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262036574 299813592 /nfs/dbraw/zinc/81/35/92/299813592.db2.gz FSIWQEQTIQFQAK-LISAXSMJSA-N 1 0 308.466 2.478 10 0 DEAERO O=C(c1ccncc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569919760 292451676 /nfs/dbraw/zinc/45/16/76/292451676.db2.gz AQLIRLBSFBVCQI-CQSZACIVSA-N 1 0 324.222 2.060 10 0 DEAERO CC[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H](C)O1 ZINC000124211614 287141728 /nfs/dbraw/zinc/14/17/28/287141728.db2.gz LKQLMYXVSFDLGV-BZUAXINKSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000299608920 287150967 /nfs/dbraw/zinc/15/09/67/287150967.db2.gz UNCSXLWMGAGFLN-ZUZCIYMTSA-N 1 0 307.781 2.027 10 0 DEAERO Cc1nsc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)n1 ZINC000128994345 196010467 /nfs/dbraw/zinc/01/04/67/196010467.db2.gz KDNYGACTMCXICG-UHFFFAOYSA-N 1 0 302.403 2.106 10 0 DEAERO CC[C@H]([NH3+])Cc1cnc(Sc2nnc(SC)s2)nc1 ZINC000129050706 196015234 /nfs/dbraw/zinc/01/52/34/196015234.db2.gz DZKBWTIOWBKPKD-QMMMGPOBSA-N 1 0 313.477 2.481 10 0 DEAERO OCc1sc(N2CC[C@H]([NH+]3CCCCC3)C2)nc1Cl ZINC000129121559 196020784 /nfs/dbraw/zinc/02/07/84/196020784.db2.gz WGOIEAPILBJHBU-JTQLQIEISA-N 1 0 301.843 2.353 10 0 DEAERO [NH3+]CCc1cc(OC[C@H]2CCOC2)ccc1Br ZINC000129195422 196028192 /nfs/dbraw/zinc/02/81/92/196028192.db2.gz DUVGLBDPLXPVCT-JTQLQIEISA-N 1 0 300.196 2.366 10 0 DEAERO C[NH2+][C@H](C)c1cc(Br)ccc1-n1cc(C(N)=O)cn1 ZINC000129234867 196031145 /nfs/dbraw/zinc/03/11/45/196031145.db2.gz ZZTIOPJDPUSICS-MRVPVSSYSA-N 1 0 323.194 2.014 10 0 DEAERO Cc1cc(Br)cc2nc(C[C@H]3C[NH2+]CCO3)[nH]c21 ZINC000129608383 196061402 /nfs/dbraw/zinc/06/14/02/196061402.db2.gz PVTOMKHWMGORCG-JTQLQIEISA-N 1 0 310.195 2.165 10 0 DEAERO CCC[NH2+]C[C@@H]1CCC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129615045 196062539 /nfs/dbraw/zinc/06/25/39/196062539.db2.gz WNKRBWRCIAJDDI-XHSDSOJGSA-N 1 0 316.511 2.464 10 0 DEAERO C[C@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000129672072 196066509 /nfs/dbraw/zinc/06/65/09/196066509.db2.gz CQILZKOALCRKST-LBPRGKRZSA-N 1 0 309.841 2.201 10 0 DEAERO COc1cc([C@@H]([NH3+])c2c(Cl)cnn2C)cc(OC)c1OC ZINC000129694289 196068659 /nfs/dbraw/zinc/06/86/59/196068659.db2.gz PTSGUWHNEQKXBL-GFCCVEGCSA-N 1 0 311.769 2.147 10 0 DEAERO CCCC[C@H](C[NH3+])Nc1nc2c(Br)cccn2n1 ZINC000130578968 196092474 /nfs/dbraw/zinc/09/24/74/196092474.db2.gz SAACYWCWEHDSMC-SECBINFHSA-N 1 0 312.215 2.421 10 0 DEAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000130602192 196093954 /nfs/dbraw/zinc/09/39/54/196093954.db2.gz YZYREVJJBJGWAO-ZBFHGGJFSA-N 1 0 301.390 2.129 10 0 DEAERO CC[NH2+]C[C@H]1COCCN1Cc1ccccc1Br ZINC000130832265 196114174 /nfs/dbraw/zinc/11/41/74/196114174.db2.gz COFUVUMVRXTEJH-ZDUSSCGKSA-N 1 0 313.239 2.259 10 0 DEAERO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000130872691 196118421 /nfs/dbraw/zinc/11/84/21/196118421.db2.gz FBVXRAMPLAWTSI-INIZCTEOSA-N 1 0 310.463 2.098 10 0 DEAERO COc1ccc([C@H]([NH3+])[C@H]2CCC[C@H](S(C)(=O)=O)C2)c(F)c1 ZINC000130978570 196129025 /nfs/dbraw/zinc/12/90/25/196129025.db2.gz VXPUPYDUDNXVBS-ITDIGPHOSA-N 1 0 315.410 2.438 10 0 DEAERO [NH3+]CCc1nccn1Cc1cc(Br)cc2c1OCC2 ZINC000131081064 196137611 /nfs/dbraw/zinc/13/76/11/196137611.db2.gz FGSLBJNEIIGXEE-UHFFFAOYSA-N 1 0 322.206 2.130 10 0 DEAERO C[N@H+](CC(=O)Nc1cc(N)ccc1Cl)[C@H]1CCCC[C@@H]1O ZINC000131232639 196151823 /nfs/dbraw/zinc/15/18/23/196151823.db2.gz HGFXQNXNDXMQBW-KBPBESRZSA-N 1 0 311.813 2.096 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)c1ccc(OC)cc1OC ZINC000131233800 196152170 /nfs/dbraw/zinc/15/21/70/196152170.db2.gz VALKDHWNXMPWTH-CQSZACIVSA-N 1 0 315.435 2.179 10 0 DEAERO O[C@H](C[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1F ZINC000131403513 196166099 /nfs/dbraw/zinc/16/60/99/196166099.db2.gz CZVPFGZMDSQGTB-BXKDBHETSA-N 1 0 304.159 2.000 10 0 DEAERO O[C@H](C[C@H]1COCC[NH2+]1)c1cc(Br)ccc1F ZINC000131404715 196166230 /nfs/dbraw/zinc/16/62/30/196166230.db2.gz LYCDOAMPDLBIBE-JOYOIKCWSA-N 1 0 304.159 2.000 10 0 DEAERO CC[C@H](C)[C@](C)(O)c1c(Br)cnn1CC[NH+](C)C ZINC000131446357 196170199 /nfs/dbraw/zinc/17/01/99/196170199.db2.gz RELCFGLPXIVMTB-GWCFXTLKSA-N 1 0 318.259 2.461 10 0 DEAERO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(F)c1Br ZINC000131549182 196178582 /nfs/dbraw/zinc/17/85/82/196178582.db2.gz GCYNHUGSZKAWPT-MRVPVSSYSA-N 1 0 301.159 2.152 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(Br)cc1O ZINC000131588613 196182714 /nfs/dbraw/zinc/18/27/14/196182714.db2.gz WWFZJPUKZQKQGL-PSASIEDQSA-N 1 0 313.195 2.107 10 0 DEAERO CC(C)[NH2+]Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C)C2)c[nH]1 ZINC000131733654 196195299 /nfs/dbraw/zinc/19/52/99/196195299.db2.gz IUSSPXXHIXZSOP-OLZOCXBDSA-N 1 0 313.467 2.179 10 0 DEAERO C[NH2+][C@H](c1ccc(OC2CC2)cc1)[C@H]1CCCCS1(=O)=O ZINC000132195907 196234332 /nfs/dbraw/zinc/23/43/32/196234332.db2.gz AVNZUQJWXZBICF-HZPDHXFCSA-N 1 0 309.431 2.456 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1sc2cccnc2c1N ZINC000132237394 196237968 /nfs/dbraw/zinc/23/79/68/196237968.db2.gz WKLLWZIXXDHEEN-JTQLQIEISA-N 1 0 304.419 2.093 10 0 DEAERO C[C@H]1N[C@H](c2cccs2)N(CC2([NH+](C)C)CCCC2)C1=O ZINC000132447342 196257317 /nfs/dbraw/zinc/25/73/17/196257317.db2.gz MECIPWCHRMTLBO-OCCSQVGLSA-N 1 0 307.463 2.441 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000132580758 196267127 /nfs/dbraw/zinc/26/71/27/196267127.db2.gz WJQHRHRWXPNKGG-HZPDHXFCSA-N 1 0 322.449 2.454 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000132580582 196267752 /nfs/dbraw/zinc/26/77/52/196267752.db2.gz WJQHRHRWXPNKGG-CVEARBPZSA-N 1 0 322.449 2.454 10 0 DEAERO C[C@@H]1[C@H](C)SCCN1C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000132637642 196272532 /nfs/dbraw/zinc/27/25/32/196272532.db2.gz OWYYZSUFFVCUJR-OLZOCXBDSA-N 1 0 307.463 2.379 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CCOC3(CCC3)C2)CC1 ZINC000132691181 196276138 /nfs/dbraw/zinc/27/61/38/196276138.db2.gz DTTQCUMCIZHGAV-UHFFFAOYSA-N 1 0 309.454 2.073 10 0 DEAERO CC[S@@](=O)CC[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000132764161 196281770 /nfs/dbraw/zinc/28/17/70/196281770.db2.gz WZIBDNYTWUJOCY-IBGZPJMESA-N 1 0 323.245 2.290 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H](COCc2ccc(F)cc2Br)O1 ZINC000132805309 196285473 /nfs/dbraw/zinc/28/54/73/196285473.db2.gz BVTQDPFCPNCNHB-BXKDBHETSA-N 1 0 318.186 2.482 10 0 DEAERO COCc1nc(N[C@H](C)c2sc(C)nc2C)cc(NN)[nH+]1 ZINC000132823553 196286842 /nfs/dbraw/zinc/28/68/42/196286842.db2.gz OLQSXRPEMRXZFL-MRVPVSSYSA-N 1 0 308.411 2.155 10 0 DEAERO CCCNc1ncc(Br)c(NCC[N@H+](C)CC)n1 ZINC000132838116 196289531 /nfs/dbraw/zinc/28/95/31/196289531.db2.gz PDSDPJRAPYXCDB-UHFFFAOYSA-N 1 0 316.247 2.425 10 0 DEAERO COCc1nc(N(C)[C@H](C)Cc2cccs2)cc(NN)[nH+]1 ZINC000133055123 196308127 /nfs/dbraw/zinc/30/81/27/196308127.db2.gz SREYSIKIQYGLFY-SNVBAGLBSA-N 1 0 307.423 2.038 10 0 DEAERO O[C@@H](Cc1cc(F)cc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000133060462 196308561 /nfs/dbraw/zinc/30/85/61/196308561.db2.gz JBDIOCXALJFXQH-MFKMUULPSA-N 1 0 302.187 2.491 10 0 DEAERO COc1cc(C)cc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000133081749 196310037 /nfs/dbraw/zinc/31/00/37/196310037.db2.gz SNMIFUZKZBMSTI-HOCLYGCPSA-N 1 0 317.433 2.382 10 0 DEAERO C[C@H]([NH3+])CCCC(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000133133836 196314370 /nfs/dbraw/zinc/31/43/70/196314370.db2.gz MRDHCPOTMHXANT-VIFPVBQESA-N 1 0 305.300 2.479 10 0 DEAERO CSCC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000133219158 196321891 /nfs/dbraw/zinc/32/18/91/196321891.db2.gz QWAWBJXBADVNJD-LLVKDONJSA-N 1 0 320.480 2.198 10 0 DEAERO CC[C@H](CSC)NS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000133233337 196323455 /nfs/dbraw/zinc/32/34/55/196323455.db2.gz XDPPHTBLPOZZPH-ZYHUDNBSSA-N 1 0 302.465 2.126 10 0 DEAERO COC(=O)c1sc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc1C ZINC000133237954 196324038 /nfs/dbraw/zinc/32/40/38/196324038.db2.gz FPYWOCMJLDANQM-GFCCVEGCSA-N 1 0 309.435 2.303 10 0 DEAERO CCCS(=O)(=O)c1ccccc1N1CCC[C@@H]([NH2+]CC)C1 ZINC000133566266 196331166 /nfs/dbraw/zinc/33/11/66/196331166.db2.gz MCRNYCBLEDAKOB-CQSZACIVSA-N 1 0 310.463 2.449 10 0 DEAERO COc1cc(CN(C)CCC[NH3+])c(OC)cc1Br ZINC000133790835 196335310 /nfs/dbraw/zinc/33/53/10/196335310.db2.gz IPMZLUYTXBWVML-UHFFFAOYSA-N 1 0 317.227 2.247 10 0 DEAERO C[C@@](C[NH3+])(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1 ZINC000133798390 196336184 /nfs/dbraw/zinc/33/61/84/196336184.db2.gz IJZNZEAPBIUFDD-ZDUSSCGKSA-N 1 0 304.362 2.222 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1C(=O)c1ccoc1 ZINC000133862936 196341320 /nfs/dbraw/zinc/34/13/20/196341320.db2.gz DCCFXCNQTHETGG-UHFFFAOYSA-N 1 0 312.167 2.031 10 0 DEAERO CCN(CC)C(C)(C)C(=O)c1c(Cl)cnn1CC[NH+](C)C ZINC000134084158 196359842 /nfs/dbraw/zinc/35/98/42/196359842.db2.gz HOYNWOVZFVDVFO-UHFFFAOYSA-N 1 0 314.861 2.401 10 0 DEAERO CC(C)c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000134097746 196361282 /nfs/dbraw/zinc/36/12/82/196361282.db2.gz YNEOFCOIUHJWAU-HOTGVXAUSA-N 1 0 311.447 2.010 10 0 DEAERO CC[C@@H](CCO)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000134389036 196385524 /nfs/dbraw/zinc/38/55/24/196385524.db2.gz BIUMHTBTDONMQG-NSHDSACASA-N 1 0 315.211 2.138 10 0 DEAERO CCC[C@@H](O)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000134416395 196388590 /nfs/dbraw/zinc/38/85/90/196388590.db2.gz JMLQBBSNANWBGF-GHMZBOCLSA-N 1 0 322.232 2.484 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134518359 196398402 /nfs/dbraw/zinc/39/84/02/196398402.db2.gz FBRWDLWUPVTLRI-GFCCVEGCSA-N 1 0 310.360 2.194 10 0 DEAERO C[NH2+][C@@H]1CSC[C@@H]1c1nc(C2Cc3ccccc3C2)no1 ZINC000134830626 196422331 /nfs/dbraw/zinc/42/23/31/196422331.db2.gz OMRRLDXMVZPEFH-UONOGXRCSA-N 1 0 301.415 2.370 10 0 DEAERO COCC[NH2+]C[C@@H]1CCO[C@H]1c1ccc(Br)cn1 ZINC000135415039 196471874 /nfs/dbraw/zinc/47/18/74/196471874.db2.gz DZVDHQMVOSPALY-GXFFZTMASA-N 1 0 315.211 2.158 10 0 DEAERO CCC[C@H]([NH3+])CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000135858955 196506039 /nfs/dbraw/zinc/50/60/39/196506039.db2.gz YRGBIMNVTFALBM-JTQLQIEISA-N 1 0 311.813 2.498 10 0 DEAERO [NH3+][C@H](CNC(=O)c1ccccc1NC(=O)c1ccccc1)C1CC1 ZINC000137351495 196573759 /nfs/dbraw/zinc/57/37/59/196573759.db2.gz FDMJFGVJIUHXHP-MRXNPFEDSA-N 1 0 323.396 2.406 10 0 DEAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCC(n2ccnc2)CC1 ZINC000299742818 229380362 /nfs/dbraw/zinc/38/03/62/229380362.db2.gz KQXNVJNSNHSDFC-WMLDXEAASA-N 1 0 315.421 2.031 10 0 DEAERO c1ccc(OC2CCC2)c(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422915782 230276822 /nfs/dbraw/zinc/27/68/22/230276822.db2.gz YZNPRTDMNJKRAX-MOPGFXCFSA-N 1 0 316.445 2.475 10 0 DEAERO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876293 424849384 /nfs/dbraw/zinc/84/93/84/424849384.db2.gz INKUUWJZDKZIQQ-AWEZNQCLSA-N 1 0 320.481 2.368 10 0 DEAERO Cc1ccc(OC[C@H](O)CN2CCC([NH+](C)C)CC2)c(C)c1 ZINC000193811708 424871216 /nfs/dbraw/zinc/87/12/16/424871216.db2.gz QZGSJZKXVQGODQ-QGZVFWFLSA-N 1 0 306.450 2.069 10 0 DEAERO CC[C@@](C)([NH3+])c1cn(Cc2ccc(Br)cn2)nn1 ZINC000384166077 424910718 /nfs/dbraw/zinc/91/07/18/424910718.db2.gz LIVPFYHKNRRVNK-GFCCVEGCSA-N 1 0 310.199 2.068 10 0 DEAERO C[C@@H]1C[C@H](C)N(C(=O)c2coc(Br)c2)C[C@@H]1C[NH3+] ZINC000397250229 424921269 /nfs/dbraw/zinc/92/12/69/424921269.db2.gz DCCSXZDCYKMVAB-YWVKMMECSA-N 1 0 315.211 2.488 10 0 DEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1noc2ccc(Br)cc21 ZINC000333395666 424921376 /nfs/dbraw/zinc/92/13/76/424921376.db2.gz AGYREGVSKNANGX-KWQFWETISA-N 1 0 310.195 3.000 10 0 DEAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc(Br)cn1 ZINC000401635686 424924090 /nfs/dbraw/zinc/92/40/90/424924090.db2.gz XXGFRDQLIWMPSQ-LBPRGKRZSA-N 1 0 324.222 2.249 10 0 DEAERO Cc1ccc(C[NH2+]CC[C@@]2(O)CCOC2)cc1Br ZINC000404215350 424926016 /nfs/dbraw/zinc/92/60/16/424926016.db2.gz SUPIHRLFYWGREX-CQSZACIVSA-N 1 0 314.223 2.389 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2ccc(F)cc2Br)CCOC1 ZINC000404195475 424926082 /nfs/dbraw/zinc/92/60/82/424926082.db2.gz HPDQBBFFEIZAAN-ZDUSSCGKSA-N 1 0 318.186 2.219 10 0 DEAERO [NH3+]CC1(CCNC(=O)c2cc(Br)ccc2F)CC1 ZINC000404703030 424927952 /nfs/dbraw/zinc/92/79/52/424927952.db2.gz WQKUUDGHSAQLDU-UHFFFAOYSA-N 1 0 315.186 2.447 10 0 DEAERO Cc1cccnc1CC[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000404818326 424929536 /nfs/dbraw/zinc/92/95/36/424929536.db2.gz LYKWLHBMDAGXBC-QGZVFWFLSA-N 1 0 300.402 2.100 10 0 DEAERO CCCN(C(=O)c1nscc1Br)[C@@H]1CC[NH2+]C1 ZINC000404804173 424929867 /nfs/dbraw/zinc/92/98/67/424929867.db2.gz WTDDHRNAJXUUAU-MRVPVSSYSA-N 1 0 318.240 2.120 10 0 DEAERO CN1C(=O)[C@@H]2[C@@H](C[N@H+](Cc3ccccc3)[C@@H]2C(C)(C)C)C1=O ZINC000409432574 424934988 /nfs/dbraw/zinc/93/49/88/424934988.db2.gz WAFDDGAFIVSKDW-KFWWJZLASA-N 1 0 300.402 2.148 10 0 DEAERO CCC[NH+]1CCN(C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000580870968 424970473 /nfs/dbraw/zinc/97/04/73/424970473.db2.gz PUEYPORRCPJGEJ-UHFFFAOYSA-N 1 0 320.437 3.066 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)cc2)[C@H](C)C1 ZINC000081094750 267378397 /nfs/dbraw/zinc/37/83/97/267378397.db2.gz AHNABWBNEGNJAD-RHSMWYFYSA-N 1 0 319.449 2.296 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000081096297 267378703 /nfs/dbraw/zinc/37/87/03/267378703.db2.gz LFADHMHNYADZQF-NVXWUHKLSA-N 1 0 303.450 2.312 10 0 DEAERO C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000661434056 425408670 /nfs/dbraw/zinc/40/86/70/425408670.db2.gz NNEKSZJYVWYQKQ-BPQIPLTHSA-N 1 0 307.434 2.047 10 0 DEAERO C[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)[C@@H]1CCO ZINC000661492356 425422765 /nfs/dbraw/zinc/42/27/65/425422765.db2.gz YIVNOWRSUFWACU-KBAYOESNSA-N 1 0 307.434 2.047 10 0 DEAERO CCn1ccnc1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1nccnc1C ZINC000658201549 425453987 /nfs/dbraw/zinc/45/39/87/425453987.db2.gz OEJRVVKXPDUNMH-OFQRWUPVSA-N 1 0 315.421 2.430 10 0 DEAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000194097697 267775700 /nfs/dbraw/zinc/77/57/00/267775700.db2.gz CECUPUCUJMJJQN-RYUDHWBXSA-N 1 0 319.371 2.455 10 0 DEAERO CN(C(=O)[C@H]1CSc2ccccc21)[C@H](C[NH3+])C(F)(F)F ZINC000662980398 425771720 /nfs/dbraw/zinc/77/17/20/425771720.db2.gz GXNNBLHPRQDXJU-GXSJLCMTSA-N 1 0 304.337 2.224 10 0 DEAERO Cc1cc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn2ccnc12 ZINC000333272817 268917004 /nfs/dbraw/zinc/91/70/04/268917004.db2.gz GIQSYOZNGJDMCX-CFVMTHIKSA-N 1 0 313.405 2.234 10 0 DEAERO COc1nccc2cc(NC(=O)N3C[C@H]([NH3+])[C@@H](C)C3)ccc21 ZINC000333300918 268922204 /nfs/dbraw/zinc/92/22/04/268922204.db2.gz KHQWRLQNPZQWJL-HZMBPMFUSA-N 1 0 300.362 2.054 10 0 DEAERO COc1cc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1Cl ZINC000333302869 268923243 /nfs/dbraw/zinc/92/32/43/268923243.db2.gz KNOSHCOFVXLKPN-MNOVXSKESA-N 1 0 309.797 2.422 10 0 DEAERO Cn1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)c(-c2ccccc2)n1 ZINC000333900828 269002619 /nfs/dbraw/zinc/00/26/19/269002619.db2.gz ZUVDYIUBLUCPMZ-UHFFFAOYSA-N 1 0 310.401 2.055 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)C1 ZINC000334128270 269022945 /nfs/dbraw/zinc/02/29/45/269022945.db2.gz REJMFKVSSQEWPI-HZSPNIEDSA-N 1 0 323.462 2.362 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000363718806 269074210 /nfs/dbraw/zinc/07/42/10/269074210.db2.gz NSOAAYXZBHRIRZ-IRXDYDNUSA-N 1 0 316.449 2.140 10 0 DEAERO Cn1cc(Br)c(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000393318761 269099175 /nfs/dbraw/zinc/09/91/75/269099175.db2.gz AEFALCITCYLPBM-OLZOCXBDSA-N 1 0 321.222 2.417 10 0 DEAERO CCN1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000393917876 269100753 /nfs/dbraw/zinc/10/07/53/269100753.db2.gz YZQMHLWQPVDWBN-ILXRZTDVSA-N 1 0 311.470 2.364 10 0 DEAERO CCN1CC[C@H]([NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000393917877 269100770 /nfs/dbraw/zinc/10/07/70/269100770.db2.gz YZQMHLWQPVDWBN-KKUMJFAQSA-N 1 0 311.470 2.364 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cccc(Br)c1 ZINC000395199318 269101283 /nfs/dbraw/zinc/10/12/83/269101283.db2.gz CGZWKXATAQCFFR-GWCFXTLKSA-N 1 0 311.223 2.453 10 0 DEAERO CCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000397317980 269106319 /nfs/dbraw/zinc/10/63/19/269106319.db2.gz LWWPUGDXSAOOHO-UTUOFQBUSA-N 1 0 316.492 2.304 10 0 DEAERO CCCCC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397655646 269106645 /nfs/dbraw/zinc/10/66/45/269106645.db2.gz YFEMKQYNRUJTCM-UHFFFAOYSA-N 1 0 304.434 2.320 10 0 DEAERO C[C@H](OCc1ccccc1)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000404559881 269113162 /nfs/dbraw/zinc/11/31/62/269113162.db2.gz WQTSBMXHMIZVGZ-AIANPOQGSA-N 1 0 304.434 2.424 10 0 DEAERO C[C@@H]([NH2+]CCC1CC(O)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497228626 269294922 /nfs/dbraw/zinc/29/49/22/269294922.db2.gz ANZURFVDMSGBQW-FEWQNLEASA-N 1 0 312.454 2.383 10 0 DEAERO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC000526086304 269503266 /nfs/dbraw/zinc/50/32/66/269503266.db2.gz BXRYDBOGQOOJGU-UPJWGTAASA-N 1 0 313.360 2.110 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1nc(SC)ns1 ZINC000156745576 273640159 /nfs/dbraw/zinc/64/01/59/273640159.db2.gz PTLXVOYYIHSAGN-QMMMGPOBSA-N 1 0 303.457 2.112 10 0 DEAERO Cc1cc(N2CCO[C@@H](C[NH+](C)C)C2)c2cccc(F)c2n1 ZINC000124920586 274708905 /nfs/dbraw/zinc/70/89/05/274708905.db2.gz BMNRPBQTGAFJQC-ZDUSSCGKSA-N 1 0 303.381 2.449 10 0 DEAERO O=C(N[C@H]1CCOc2ccccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066174552 274993307 /nfs/dbraw/zinc/99/33/07/274993307.db2.gz CCSSIHOKHAXTDC-ZBFHGGJFSA-N 1 0 315.417 2.390 10 0 DEAERO O=C1OCCC12CC[NH+](C[C@H](O)c1ccccc1Cl)CC2 ZINC000368518202 275026665 /nfs/dbraw/zinc/02/66/65/275026665.db2.gz KVNFUBMASIETPF-AWEZNQCLSA-N 1 0 309.793 2.403 10 0 DEAERO CCC1(CC)[C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)[C@@H](C)[C@H]1OC ZINC000329306955 275963217 /nfs/dbraw/zinc/96/32/17/275963217.db2.gz YBQJLAMUTXMZFV-UIBBOPPKSA-N 1 0 306.454 2.331 10 0 DEAERO CCC[C@H](C(=O)Nc1nc(CC)c(C(=O)OC)s1)[NH+](C)C ZINC000164745895 276039365 /nfs/dbraw/zinc/03/93/65/276039365.db2.gz XEXUNDSGWSNYKS-SNVBAGLBSA-N 1 0 313.423 2.161 10 0 DEAERO CC[NH+](CC)CC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000173523263 276094283 /nfs/dbraw/zinc/09/42/83/276094283.db2.gz OIOMBGIPIXGXJD-CJNGLKHVSA-N 1 0 308.397 2.456 10 0 DEAERO CC1(C)CN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC[C@@H]1[NH3+] ZINC000262532312 276131009 /nfs/dbraw/zinc/13/10/09/276131009.db2.gz PTXKPAHEOACVGE-XHSDSOJGSA-N 1 0 307.482 2.227 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2OCCc3ccccc32)[C@H](C)C1 ZINC000122638427 276223926 /nfs/dbraw/zinc/22/39/26/276223926.db2.gz IWSOJMITDXESLD-JLSDUUJJSA-N 1 0 316.445 2.489 10 0 DEAERO CCC[C@@H](C(=O)N1CCC[C@H](n2ccnc2CC)C1)[NH+](C)C ZINC000179110066 276268587 /nfs/dbraw/zinc/26/85/87/276268587.db2.gz JLGBSVQBZVVQAP-GJZGRUSLSA-N 1 0 306.454 2.339 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1cc(N)ccc1F ZINC000174532968 276377076 /nfs/dbraw/zinc/37/70/76/276377076.db2.gz WNFCAQBDFUEYCE-AWEZNQCLSA-N 1 0 322.428 2.153 10 0 DEAERO C[N@@H+]1CCCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000096978985 277047554 /nfs/dbraw/zinc/04/75/54/277047554.db2.gz MIQGIZLGLMFMRW-UHFFFAOYSA-N 1 0 306.793 2.280 10 0 DEAERO COC(=O)CC1(CC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000369049225 277053366 /nfs/dbraw/zinc/05/33/66/277053366.db2.gz LZQYNDTVPYASPX-OAHLLOKOSA-N 1 0 322.449 2.197 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3Cc4ccccc4C3)CC[C@H]21 ZINC000248395425 277066630 /nfs/dbraw/zinc/06/66/30/277066630.db2.gz JCZIHLKQSHNQHA-SJLPKXTDSA-N 1 0 313.445 2.280 10 0 DEAERO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cccc4c3OCCC4)C[C@@H]21 ZINC000454960463 277149010 /nfs/dbraw/zinc/14/90/10/277149010.db2.gz PYTCUIABJITBEU-HIFRSBDPSA-N 1 0 301.390 2.179 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NC[C@]2(C)CCCO2)[C@@H]1c1ccccc1 ZINC000245641785 277166907 /nfs/dbraw/zinc/16/69/07/277166907.db2.gz KQCIQNMRZFBJSF-BQFCYCMXSA-N 1 0 317.433 2.300 10 0 DEAERO CNC(=O)[C@@H]([NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1)C(C)C ZINC000185307596 277240493 /nfs/dbraw/zinc/24/04/93/277240493.db2.gz CFDAWZICHQVYII-WBMJQRKESA-N 1 0 310.413 2.373 10 0 DEAERO C[NH2+]C1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC000179132956 277263095 /nfs/dbraw/zinc/26/30/95/277263095.db2.gz IFYWEVCDOKIAHY-LBPRGKRZSA-N 1 0 308.809 2.102 10 0 DEAERO COc1c(C)cnc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1C ZINC000247293475 277363008 /nfs/dbraw/zinc/36/30/08/277363008.db2.gz UHPCUKNFAQPRMX-CABCVRRESA-N 1 0 308.447 2.413 10 0 DEAERO C/C(=C/c1ccc(C)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000182557116 277727966 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GTMIFVMGOFQKEA-RISCZKNCSA-N 1 0 309.385 2.059 10 0 DEAERO CCC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1)[NH+](C)C ZINC000154896917 520593998 /nfs/dbraw/zinc/59/39/98/520593998.db2.gz LDPDUXWIUCGEGW-CVEARBPZSA-N 1 0 323.481 2.014 10 0 DEAERO CCC(=O)Nc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000247312368 521225059 /nfs/dbraw/zinc/22/50/59/521225059.db2.gz LZZPOWSHMVFEIW-CJNGLKHVSA-N 1 0 317.433 2.494 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2cccc(O)c2)[C@@H](C)C1 ZINC000246412009 521718192 /nfs/dbraw/zinc/71/81/92/521718192.db2.gz KYIGEEUNWIXQOW-YOEHRIQHSA-N 1 0 319.449 2.306 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2c(C)noc2C)[C@@H](C)C1 ZINC000246395587 521718242 /nfs/dbraw/zinc/71/82/42/521718242.db2.gz JMZZFFDNRGXJEQ-NHYWBVRUSA-N 1 0 308.426 2.163 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2cnn(C)c2C)[C@@H](C)C1 ZINC000246353960 521718606 /nfs/dbraw/zinc/71/86/06/521718606.db2.gz FXGNWHAHWZOSRX-ZENOOKHLSA-N 1 0 321.469 2.161 10 0 DEAERO 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CCC1(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)CCOCC1 ZINC000449170604 535295103 /nfs/dbraw/zinc/29/51/03/535295103.db2.gz GXWNQBBJRDZCLV-UHFFFAOYSA-N 1 0 311.447 2.387 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCc3ccccc32)C1 ZINC000247512116 535531851 /nfs/dbraw/zinc/53/18/51/535531851.db2.gz PXLAMAVLMFGKST-HZPDHXFCSA-N 1 0 301.434 2.500 10 0 DEAERO CCO[C@@H]1C[C@](O)(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1(C)C ZINC000249154671 535544026 /nfs/dbraw/zinc/54/40/26/535544026.db2.gz YMEXVSZVXJJYCK-MEXWJNSZSA-N 1 0 323.477 2.490 10 0 DEAERO CCOc1cccnc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000176453080 535554037 /nfs/dbraw/zinc/55/40/37/535554037.db2.gz LMNKMZIZJWZEGP-AWEZNQCLSA-N 1 0 303.406 2.038 10 0 DEAERO CCO[C@H](C)c1ncc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])s1 ZINC000261907328 535568611 /nfs/dbraw/zinc/56/86/11/535568611.db2.gz XCTPJISBAGLMOP-QJPTWQEYSA-N 1 0 311.451 2.440 10 0 DEAERO CCOC(=O)C1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261840107 535592758 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C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(C3CC3)cc2)CCO1 ZINC000191604186 535946961 /nfs/dbraw/zinc/94/69/61/535946961.db2.gz MCSYDAPNSJRVSD-QGZVFWFLSA-N 1 0 317.433 2.036 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(OC)c1 ZINC000247466071 536167142 /nfs/dbraw/zinc/16/71/42/536167142.db2.gz IVQDRGLEQBABGU-HOTGVXAUSA-N 1 0 317.433 2.463 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3ccc(F)cc3)CC[C@H]21 ZINC000247088165 536378057 /nfs/dbraw/zinc/37/80/57/536378057.db2.gz PFXREOWHNKKAKO-NVXWUHKLSA-N 1 0 319.424 2.494 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3noc4ccccc43)CC[C@H]21 ZINC000248132050 536378478 /nfs/dbraw/zinc/37/84/78/536378478.db2.gz OOQCIGWIVGPHSR-CZUORRHYSA-N 1 0 313.401 2.313 10 0 DEAERO CN(CCOc1ccccc1F)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000261980413 536402588 /nfs/dbraw/zinc/40/25/88/536402588.db2.gz AHOSPUWRNGFKII-HNNXBMFYSA-N 1 0 308.397 2.441 10 0 DEAERO COCCO[C@@H]1COCC[C@H]1[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000362513330 536567691 /nfs/dbraw/zinc/56/76/91/536567691.db2.gz 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MKIRDNHUMJPPBP-HRCADAONSA-N 1 0 305.422 2.280 10 0 DEAERO COc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2c2cn[nH]c2)cc1F ZINC000888078057 625056692 /nfs/dbraw/zinc/05/66/92/625056692.db2.gz JJJGPKZJNQVUKY-WBMJQRKESA-N 1 0 305.353 2.425 10 0 DEAERO COc1ccccc1C1(c2noc([C@H]3OCC[C@H]3C[NH3+])n2)CC1 ZINC000888078314 625059514 /nfs/dbraw/zinc/05/95/14/625059514.db2.gz IWJCZSSZIHMGEZ-FZMZJTMJSA-N 1 0 315.373 2.194 10 0 DEAERO Cc1c(-c2nnc([C@H]3CN(C)C[C@@H](C)O3)o2)ccc2c[nH+]cn21 ZINC000888079014 625060023 /nfs/dbraw/zinc/06/00/23/625060023.db2.gz WAFMILDDUINKCJ-QMTHXVAHSA-N 1 0 313.361 2.084 10 0 DEAERO CN1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000299984181 633307483 /nfs/dbraw/zinc/30/74/83/633307483.db2.gz HCQKXBMABDCUBH-ILXRZTDVSA-N 1 0 311.470 2.364 10 0 DEAERO O=S(=O)(N[C@H]1CCCC12CCCCC2)[C@H]1CCC[NH2+]C1 ZINC000312962065 633384583 /nfs/dbraw/zinc/38/45/83/633384583.db2.gz ABMTWGCBOXWRCK-KBPBESRZSA-N 1 0 300.468 2.161 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2nc(C)ncc21 ZINC000734823794 633429942 /nfs/dbraw/zinc/42/99/42/633429942.db2.gz DXKMBCFIZVINAR-HOTGVXAUSA-N 1 0 302.422 2.153 10 0 DEAERO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCNC(=O)OC(C)(C)C ZINC000734846581 633430676 /nfs/dbraw/zinc/43/06/76/633430676.db2.gz YTXRQSALCJHYJU-HIFRSBDPSA-N 1 0 308.422 2.265 10 0 DEAERO [NH3+]CC[C@H]1CCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000125435901 633707020 /nfs/dbraw/zinc/70/70/20/633707020.db2.gz CMZNNYWIAIBPRO-ZDUSSCGKSA-N 1 0 304.415 2.199 10 0 DEAERO O=C(Cc1ccc(Br)cc1)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222591393 636364316 /nfs/dbraw/zinc/36/43/16/636364316.db2.gz ASSTUMJYNNPLSC-CQSZACIVSA-N 1 0 323.234 2.202 10 0 DEAERO Cc1ncoc1CN(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000894508768 637078738 /nfs/dbraw/zinc/07/87/38/637078738.db2.gz DYXMMUKZJBCYAD-WMLDXEAASA-N 1 0 317.437 2.231 10 0 DEAERO C[C@@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)[C@H]1CO ZINC000299989301 637279940 /nfs/dbraw/zinc/27/99/40/637279940.db2.gz YNNZIBBKROYEAH-NEPJUHHUSA-N 1 0 307.419 2.433 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)nc(N(C)C)c2)CC[N@@H+]1C ZINC000741722715 638006382 /nfs/dbraw/zinc/00/63/82/638006382.db2.gz QXORUSXAIZKXIV-ZYHUDNBSSA-N 1 0 310.829 2.014 10 0 DEAERO CC1CCC(N(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000747558747 638450420 /nfs/dbraw/zinc/45/04/20/638450420.db2.gz WVPDTYUHBOCHTG-UHFFFAOYSA-N 1 0 307.442 2.487 10 0 DEAERO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000748818796 638594470 /nfs/dbraw/zinc/59/44/70/638594470.db2.gz YSHCSFDMNOJTGA-CZAWJFPGSA-N 1 0 314.389 2.028 10 0 DEAERO C[N@@H+]1CC[C@H](C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000749050975 638612020 /nfs/dbraw/zinc/61/20/20/638612020.db2.gz RDCGCHCMRFWXSX-QMMMGPOBSA-N 1 0 312.295 2.472 10 0 DEAERO CC[NH+](CC)CC1CCN(CC(=O)Nc2ccc(O)cc2)CC1 ZINC000728570291 639256258 /nfs/dbraw/zinc/25/62/58/639256258.db2.gz HUCGBSKJEYISPX-UHFFFAOYSA-N 1 0 319.449 2.385 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3oc(=O)ccc3c2)C1 ZINC000067719916 640629031 /nfs/dbraw/zinc/62/90/31/640629031.db2.gz KWKMNEDNNFPTAP-AWEZNQCLSA-N 1 0 315.373 2.399 10 0 DEAERO CC[NH+](CC)CCCCNC(=O)c1ccnc2[nH]c(C)nc21 ZINC000435457697 642204693 /nfs/dbraw/zinc/20/46/93/642204693.db2.gz GBHONQBRHRCSOS-UHFFFAOYSA-N 1 0 303.410 2.118 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)COc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000155632894 645118850 /nfs/dbraw/zinc/11/88/50/645118850.db2.gz SMTIBLLNMHLXCV-KSSFIOAISA-N 1 0 316.445 2.399 10 0 DEAERO C[NH+]1CCC(CNC(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000800706004 645298597 /nfs/dbraw/zinc/29/85/97/645298597.db2.gz YCDFSPYERSLNBO-MRXNPFEDSA-N 1 0 321.852 2.448 10 0 DEAERO CN(C)c1ncnc(Cl)c1C[NH2+]C1(CCO)CCCCC1 ZINC000801523389 645409268 /nfs/dbraw/zinc/40/92/68/645409268.db2.gz GRNNQAPNIGMRJE-UHFFFAOYSA-N 1 0 312.845 2.371 10 0 DEAERO COc1cc(OC)cc([C@@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)c1 ZINC000757183113 645937794 /nfs/dbraw/zinc/93/77/94/645937794.db2.gz DPDNBKACXYAYDH-LSDHHAIUSA-N 1 0 307.390 2.349 10 0 DEAERO [NH2+]=C(NCCOc1ccc(Cl)cn1)NCCc1cccs1 ZINC000156956837 646478372 /nfs/dbraw/zinc/47/83/72/646478372.db2.gz QHVKHZXWWBIDRL-UHFFFAOYSA-N 1 0 324.837 2.322 10 0 DEAERO NC(=O)Cn1ccnc1[C@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000229802281 646702635 /nfs/dbraw/zinc/70/26/35/646702635.db2.gz DGNAGJFKFRFRFE-LYLYKKCESA-N 1 0 324.428 2.261 10 0 DEAERO CCn1c(=S)n(CN2CC[N@@H+]3CCC[C@@H]3C2)nc1C1CC1 ZINC000172503098 646740425 /nfs/dbraw/zinc/74/04/25/646740425.db2.gz WIANSXPFCUZIIP-CYBMUJFWSA-N 1 0 307.467 2.049 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)c1 ZINC000173668236 646776765 /nfs/dbraw/zinc/77/67/65/646776765.db2.gz CVQKMDOBXSRGAB-SFHVURJKSA-N 1 0 316.445 2.424 10 0 DEAERO CCCn1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000174112065 646793078 /nfs/dbraw/zinc/79/30/78/646793078.db2.gz LJVYUMPUJMDISG-OAHLLOKOSA-N 1 0 305.426 2.385 10 0 DEAERO CC(C)[N@H+](C)CCCNC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733131579 647889692 /nfs/dbraw/zinc/88/96/92/647889692.db2.gz RFMRBDIMLOGRKI-UHFFFAOYSA-N 1 0 312.845 2.261 10 0 DEAERO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185306537 649494563 /nfs/dbraw/zinc/49/45/63/649494563.db2.gz OTTIUIQFKOSXDS-GHMZBOCLSA-N 1 0 311.769 2.382 10 0 DEAERO c1cc2c(s1)CCN(CC[NH2+][C@@H]1CCCc3n[nH]cc31)C2 ZINC000353502922 685345206 /nfs/dbraw/zinc/34/52/06/685345206.db2.gz MYOCXJLBAIKANI-CQSZACIVSA-N 1 0 302.447 2.497 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1C ZINC000381988310 685403316 /nfs/dbraw/zinc/40/33/16/685403316.db2.gz OKPACINBMCZWEX-KFWWJZLASA-N 1 0 311.470 2.173 10 0 DEAERO [NH3+]CC[C@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C(F)F ZINC000383558609 685407680 /nfs/dbraw/zinc/40/76/80/685407680.db2.gz RXXCFZBNAGJTRP-IOCXFXADSA-N 1 0 324.780 2.213 10 0 DEAERO CCC[NH+]1CCC(NCc2nc(Br)c[nH]2)CC1 ZINC000383309641 685407711 /nfs/dbraw/zinc/40/77/11/685407711.db2.gz QKICYQVKLZXMFA-UHFFFAOYSA-N 1 0 301.232 2.136 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CCC(C)(C)CO ZINC000385886555 685415888 /nfs/dbraw/zinc/41/58/88/685415888.db2.gz MAJDPBOUECXGRK-CYBMUJFWSA-N 1 0 300.443 2.384 10 0 DEAERO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cn(C)nn1 ZINC000389816183 685436106 /nfs/dbraw/zinc/43/61/06/685436106.db2.gz PXYSLVUZLYBGTA-GXTWGEPZSA-N 1 0 323.441 2.083 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000389810534 685436276 /nfs/dbraw/zinc/43/62/76/685436276.db2.gz YQYFCDBEZKYBTI-APPRXGMUSA-N 1 0 314.838 2.228 10 0 DEAERO Cc1noc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)n1 ZINC000390779313 685442801 /nfs/dbraw/zinc/44/28/01/685442801.db2.gz PTZISCPGCBHEIH-XJKSGUPXSA-N 1 0 300.406 2.173 10 0 DEAERO COc1cccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)n1 ZINC000390761994 685442984 /nfs/dbraw/zinc/44/29/84/685442984.db2.gz BUQAXHKBMOEMOZ-WAYWQWQTSA-N 1 0 307.394 2.261 10 0 DEAERO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000394107134 685455340 /nfs/dbraw/zinc/45/53/40/685455340.db2.gz IHSFIUCPTBDKPB-WCBMZHEXSA-N 1 0 323.245 2.399 10 0 DEAERO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037291880 683882251 /nfs/dbraw/zinc/88/22/51/683882251.db2.gz XAQODGSEFBCZGH-NEPJUHHUSA-N 1 0 308.403 2.209 10 0 DEAERO Cc1cccc(CC(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000078803886 683967688 /nfs/dbraw/zinc/96/76/88/683967688.db2.gz PTWQIKFAWXSBRI-QGZVFWFLSA-N 1 0 305.418 2.438 10 0 DEAERO O=C(NCCC[N@H+](C[C@@H]1CCCO1)C1CCCC1)C(F)(F)F ZINC000091582630 684037255 /nfs/dbraw/zinc/03/72/55/684037255.db2.gz XOAWIYDBNSSMDC-ZDUSSCGKSA-N 1 0 322.371 2.479 10 0 DEAERO CCc1nn(C)cc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000092702217 684044545 /nfs/dbraw/zinc/04/45/45/684044545.db2.gz BIZCJFCUEOTTBH-HNNXBMFYSA-N 1 0 313.401 2.414 10 0 DEAERO CCCn1ncc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1C1CC1 ZINC000093989769 684052403 /nfs/dbraw/zinc/05/24/03/684052403.db2.gz TZGDHFJSLVRQQK-KGLIPLIRSA-N 1 0 304.438 2.383 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[C@H](O)c2ccccc2)C1 ZINC000119729474 684086317 /nfs/dbraw/zinc/08/63/17/684086317.db2.gz YXWQRFDHEHWJDV-XIRDDKMYSA-N 1 0 319.449 2.282 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)COc2ccc(C=O)cc2)CC1 ZINC000119879448 684088064 /nfs/dbraw/zinc/08/80/64/684088064.db2.gz NNIRLMAHVCSFSL-UHFFFAOYSA-N 1 0 318.417 2.115 10 0 DEAERO COc1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)cc1Cl ZINC000120751129 684100231 /nfs/dbraw/zinc/10/02/31/684100231.db2.gz OUEZSZWJSAHDRE-UHFFFAOYSA-N 1 0 317.838 2.263 10 0 DEAERO CCOC(=O)CN1CCC(COC(=O)/C=C(/C)C2CC2)CC1 ZINC000124796759 684138503 /nfs/dbraw/zinc/13/85/03/684138503.db2.gz RIGKVBVPORDPFM-RAXLEYEMSA-N 1 0 309.406 2.161 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NC[C@@H](O)c2ccccc2)CC1 ZINC000125265350 684144259 /nfs/dbraw/zinc/14/42/59/684144259.db2.gz OGGHFRXVZULXFJ-BDVYOWHSSA-N 1 0 319.449 2.140 10 0 DEAERO CN(C)C(=O)Sc1ccccc1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000129102198 684176129 /nfs/dbraw/zinc/17/61/29/684176129.db2.gz HMGQUILHFRJBAB-LLVKDONJSA-N 1 0 307.419 2.398 10 0 DEAERO CCOCCCNC(=S)N1CCC(C[NH+]2CCCC2)CC1 ZINC000131995523 684204571 /nfs/dbraw/zinc/20/45/71/684204571.db2.gz GYOWEIGLHKQMLQ-UHFFFAOYSA-N 1 0 313.511 2.095 10 0 DEAERO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000133345314 684218794 /nfs/dbraw/zinc/21/87/94/684218794.db2.gz WDYABHRSRQLREN-DLBZAZTESA-N 1 0 308.466 2.023 10 0 DEAERO C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000134732781 684229398 /nfs/dbraw/zinc/22/93/98/684229398.db2.gz RYOGFYBUNXCFPQ-OHFALNGGSA-N 1 0 318.417 2.411 10 0 DEAERO C[C@H]1CN=C(N2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)S1 ZINC000190895530 684416975 /nfs/dbraw/zinc/41/69/75/684416975.db2.gz SQZCGNHNAOPCOK-ZFWWWQNUSA-N 1 0 311.495 2.037 10 0 DEAERO Cn1c(=O)sc2cc(C[NH2+]C[C@@H](O)c3ccsc3)ccc21 ZINC000192586803 684453800 /nfs/dbraw/zinc/45/38/00/684453800.db2.gz CDXYVAVHEHZXNX-CYBMUJFWSA-N 1 0 320.439 2.485 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cc(Cl)cn2C)C1 ZINC000194497805 685068072 /nfs/dbraw/zinc/06/80/72/685068072.db2.gz KFZUPHWNESXCSL-CYBMUJFWSA-N 1 0 314.813 2.192 10 0 DEAERO C[NH2+]CCC1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000216606625 685105674 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C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000721936551 777006208 /nfs/dbraw/zinc/00/62/08/777006208.db2.gz BVCMKZJFBGYOIE-HLPPOEQASA-N 1 0 323.481 2.457 10 0 DEAERO COCc1csc(C[NH2+]CC(C)(C)CS(C)(=O)=O)c1 ZINC000723848205 777186111 /nfs/dbraw/zinc/18/61/11/777186111.db2.gz ALACVWCBAWYQFI-UHFFFAOYSA-N 1 0 305.465 2.055 10 0 DEAERO CC[C@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)[C@@H]1CCCOC1 ZINC000723969535 777211250 /nfs/dbraw/zinc/21/12/50/777211250.db2.gz RLTRGCUPHGWKQS-KGLIPLIRSA-N 1 0 305.484 2.385 10 0 DEAERO [NH3+]CCCN(C[C@H]1CC[C@@H](C(F)(F)F)O1)CC(F)(F)F ZINC000721482143 777231696 /nfs/dbraw/zinc/23/16/96/777231696.db2.gz YMBAIMSUBJELSF-BDAKNGLRSA-N 1 0 308.266 2.309 10 0 DEAERO CCCN1CC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724097487 777240328 /nfs/dbraw/zinc/24/03/28/777240328.db2.gz XOLSRTSIYMSWSO-ZJUUUORDSA-N 1 0 304.303 2.009 10 0 DEAERO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1 ZINC000174329956 777468805 /nfs/dbraw/zinc/46/88/05/777468805.db2.gz HQMCHPNGMRWFDJ-HNJNHCNJSA-N 1 0 315.417 2.410 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000724942690 777530667 /nfs/dbraw/zinc/53/06/67/777530667.db2.gz HLSJVQAAXLFMQQ-QWHCGFSZSA-N 1 0 306.410 2.445 10 0 DEAERO CC(C)(C)S(=O)(=O)CCC[NH2+][C@H](CCO)C1CCCC1 ZINC000725069338 777577660 /nfs/dbraw/zinc/57/76/60/777577660.db2.gz VFFFZXKWGAVLFN-CQSZACIVSA-N 1 0 305.484 2.121 10 0 DEAERO Cc1ccc(C[NH2+]CCOCCO)c(C)c1Br ZINC000719541225 777797972 /nfs/dbraw/zinc/79/79/72/777797972.db2.gz XPCIGMZLYYNPOJ-UHFFFAOYSA-N 1 0 302.212 2.164 10 0 DEAERO CC[C@@H]1c2ccsc2CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000722227408 778511023 /nfs/dbraw/zinc/51/10/23/778511023.db2.gz AWHUSVVQEGKBPV-DGCLKSJQSA-N 1 0 314.476 2.139 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000722268330 778556043 /nfs/dbraw/zinc/55/60/43/778556043.db2.gz XWLGZPBBBNJGJJ-ILXRZTDVSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000722268331 778556129 /nfs/dbraw/zinc/55/61/29/778556129.db2.gz XWLGZPBBBNJGJJ-KFWWJZLASA-N 1 0 311.470 2.316 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CC[C@H](C2CC2)O1)COCc1ccccc1 ZINC000722336406 778630287 /nfs/dbraw/zinc/63/02/87/778630287.db2.gz SGPHJXZXLIIILO-KZNAEPCWSA-N 1 0 305.418 2.111 10 0 DEAERO CC(C)O[C@@]1(C[NH2+]CCCNC(=O)OC(C)(C)C)CCOC1 ZINC000722343059 778635994 /nfs/dbraw/zinc/63/59/94/778635994.db2.gz CZNHKLMPRBJEOL-MRXNPFEDSA-N 1 0 316.442 2.075 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cncnc2)C(C)(C)C1 ZINC000721845502 780288144 /nfs/dbraw/zinc/28/81/44/780288144.db2.gz GHIDPHQLNIVQBI-ZDUSSCGKSA-N 1 0 306.410 2.212 10 0 DEAERO Cn1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cn1 ZINC000721853388 780370852 /nfs/dbraw/zinc/37/08/52/780370852.db2.gz ZRFABRYYKSEFBV-ZDUSSCGKSA-N 1 0 308.426 2.155 10 0 DEAERO Cc1csc(CCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000174602853 783362161 /nfs/dbraw/zinc/36/21/61/783362161.db2.gz SLIUZOSCPBOGPG-AWEZNQCLSA-N 1 0 320.462 2.040 10 0 DEAERO Brc1cccc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000724637590 784774781 /nfs/dbraw/zinc/77/47/81/784774781.db2.gz YBRWPRCQQFKKND-XBFCOCLRSA-N 1 0 312.207 2.343 10 0 DEAERO C[C@H]1CC[C@H]1[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000721930116 787324737 /nfs/dbraw/zinc/32/47/37/787324737.db2.gz KMYRHUPGTHIHFQ-DZGCQCFKSA-N 1 0 311.470 2.364 10 0 DEAERO c1nc2n(c1C[NH2+]CCCCOCc1ccccc1)CCOC2 ZINC000722838475 787338714 /nfs/dbraw/zinc/33/87/14/787338714.db2.gz XHQJGEPJTVVQFF-UHFFFAOYSA-N 1 0 315.417 2.500 10 0 DEAERO COCc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000724320688 787351051 /nfs/dbraw/zinc/35/10/51/787351051.db2.gz HCBAOXFZGMSJQJ-QXMXGUDHSA-N 1 0 315.460 2.092 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CC23CC(O)C3)C1 ZINC000725001958 787356094 /nfs/dbraw/zinc/35/60/94/787356094.db2.gz RBAFHNNNWGKTHZ-VSQGTZNVSA-N 1 0 310.438 2.325 10 0 DEAERO CC1(C)OCC[C@@H]1[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000397276854 790170006 /nfs/dbraw/zinc/17/00/06/790170006.db2.gz ZQKRSHNBNZJMAF-HNNXBMFYSA-N 1 0 304.390 2.165 10 0 DEAERO CC[C@H](C)[C@H](C[NH2+]Cc1cn(C)nc1Br)OC ZINC000712443647 792188619 /nfs/dbraw/zinc/18/86/19/792188619.db2.gz FWBZJASXENWHSF-ONGXEEELSA-N 1 0 304.232 2.333 10 0 DEAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712480153 792190372 /nfs/dbraw/zinc/19/03/72/792190372.db2.gz QJBMOFSUPYDRME-PKIKSRDPSA-N 1 0 302.216 2.084 10 0 DEAERO CO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2Br)C12CCC2 ZINC000713505947 792235496 /nfs/dbraw/zinc/23/54/96/792235496.db2.gz KMJYLCLARDIZQT-WDEREUQCSA-N 1 0 314.227 2.230 10 0 DEAERO CCCn1cc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000714515996 792325130 /nfs/dbraw/zinc/32/51/30/792325130.db2.gz SVHJMWMCFFYNRG-CYBMUJFWSA-N 1 0 323.441 2.035 10 0 DEAERO CCn1cc(C[NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)nn1 ZINC000714941313 792360825 /nfs/dbraw/zinc/36/08/25/792360825.db2.gz OSSWTJYGHLHILX-UHFFFAOYSA-N 1 0 323.441 2.083 10 0 DEAERO Cc1n[nH]c(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1C ZINC000716476829 792975579 /nfs/dbraw/zinc/97/55/79/792975579.db2.gz LKMPPSPJEDOYEV-GFCCVEGCSA-N 1 0 308.426 2.372 10 0 DEAERO COC[C@@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619642 792979248 /nfs/dbraw/zinc/97/92/48/792979248.db2.gz GMHMIQFDRWBCAR-RDGPPVDQSA-N 1 0 318.461 2.027 10 0 DEAERO CCCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716731558 793004267 /nfs/dbraw/zinc/00/42/67/793004267.db2.gz KYLZHTLPQMPQOF-KSZLIROESA-N 1 0 315.461 2.155 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]CC[C@H](O)C(F)F)CCCN1C(=O)OC(C)(C)C ZINC000716765924 793007056 /nfs/dbraw/zinc/00/70/56/793007056.db2.gz QZLZQPOEZDILGJ-WOPDTQHZSA-N 1 0 322.396 2.380 10 0 DEAERO C[C@H]([NH2+]CC[C@H](O)C(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000716764906 793007464 /nfs/dbraw/zinc/00/74/64/793007464.db2.gz LRMIAXGYBCIUIT-TUAOUCFPSA-N 1 0 322.396 2.238 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]CC[C@H]2CCC3(CCC3)O2)CC1 ZINC000717176086 799257686 /nfs/dbraw/zinc/25/76/86/799257686.db2.gz WWPWOIJNDUAQGQ-UONOGXRCSA-N 1 0 301.452 2.035 10 0 DEAERO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+][C@H](CO)C2CCC2)C1 ZINC000717593436 799425688 /nfs/dbraw/zinc/42/56/88/799425688.db2.gz LPKMASHPHGVSGF-IAGOWNOFSA-N 1 0 318.417 2.148 10 0 DEAERO O=S(=O)(N[C@@H]1CC[NH2+]C12CCCC2)c1cccc(Cl)c1 ZINC000401415650 801827271 /nfs/dbraw/zinc/82/72/71/801827271.db2.gz KKBHHGLIVMRBMZ-CYBMUJFWSA-N 1 0 314.838 2.293 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCCC3)s1 ZINC000401452455 801829189 /nfs/dbraw/zinc/82/91/89/801829189.db2.gz XJCKUYYXIOLALW-GFCCVEGCSA-N 1 0 314.476 2.318 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CC2(N(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401658379 801837551 /nfs/dbraw/zinc/83/75/51/801837551.db2.gz WBBYOCMSGKCDTG-UONOGXRCSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401693674 801841910 /nfs/dbraw/zinc/84/19/10/801841910.db2.gz ISDNNIYZUITXCX-RBSFLKMASA-N 1 0 323.481 2.458 10 0 DEAERO Cn1cnc(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)c1 ZINC000404669600 802027476 /nfs/dbraw/zinc/02/74/76/802027476.db2.gz VKCXUEBEIDYMFK-UONOGXRCSA-N 1 0 320.437 2.346 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CC(C)(C)CO)C12CCC2 ZINC000404736898 802028809 /nfs/dbraw/zinc/02/88/09/802028809.db2.gz FVJRDJFDPQBXSI-STQMWFEESA-N 1 0 312.454 2.430 10 0 DEAERO CCN1CC[NH+](CCCCCNC(=O)c2cccc(F)c2)CC1 ZINC000041566774 1078282794 /nfs/dbraw/zinc/28/27/94/1078282794.db2.gz BNXPVZFZYUEQRB-UHFFFAOYSA-N 1 0 321.440 2.363 10 0 DEAERO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCc1cn2ccccc2n1 ZINC000079917881 1080907159 /nfs/dbraw/zinc/90/71/59/1080907159.db2.gz DRDRWSPFOBDJPJ-UHFFFAOYSA-N 1 0 318.384 2.452 10 0 DEAERO CN1C(=O)[C@@H]2C[N@H+](Cc3ccccc3)[C@@H](c3ccccc3)[C@H]2C1=O ZINC000409428411 1082279184 /nfs/dbraw/zinc/27/91/84/1082279184.db2.gz DXZRRXDRZHYMIU-SQNIBIBYSA-N 1 0 320.392 2.475 10 0 DEAERO C[NH2+]C[C@H](C)c1noc(-c2nscc2Br)n1 ZINC000721038697 1085594985 /nfs/dbraw/zinc/59/49/85/1085594985.db2.gz NMGDBTCLILTWNK-YFKPBYRVSA-N 1 0 303.185 2.279 10 0 DEAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1nccn1C ZINC000701865607 1086388797 /nfs/dbraw/zinc/38/87/97/1086388797.db2.gz UBGGVOAWYRLKBC-SFYCDEOASA-N 1 0 320.437 2.470 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(Br)cnc1Cl ZINC000702086039 1086405469 /nfs/dbraw/zinc/40/54/69/1086405469.db2.gz WCMWMJDVTUEBEJ-RCOVLWMOSA-N 1 0 318.602 2.059 10 0 DEAERO CO[C@](C)(C[NH2+]Cc1cncnc1)COCc1ccccc1 ZINC000702798028 1086460086 /nfs/dbraw/zinc/46/00/86/1086460086.db2.gz RISAKDPGWGFDEV-QGZVFWFLSA-N 1 0 301.390 2.188 10 0 DEAERO C[C@H]([NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1)[C@@H]1CCCCO1 ZINC000703289520 1086492849 /nfs/dbraw/zinc/49/28/49/1086492849.db2.gz IPFHIHQPNSICER-XQQFMLRXSA-N 1 0 300.399 2.085 10 0 DEAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1cn[nH]c1 ZINC000706560808 1086641759 /nfs/dbraw/zinc/64/17/59/1086641759.db2.gz IRAASLKNZBKKCH-OPGSHWCFSA-N 1 0 306.410 2.460 10 0 DEAERO [NH3+]C[C@@H]1CN(CCOCc2ccccc2)C[C@H]1C(F)(F)F ZINC000709845354 1086684575 /nfs/dbraw/zinc/68/45/75/1086684575.db2.gz IBTSFAOYKRAANH-ZIAGYGMSSA-N 1 0 302.340 2.272 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC000709819201 1086684965 /nfs/dbraw/zinc/68/49/65/1086684965.db2.gz GLSQJUBZVOVVFQ-GHMZBOCLSA-N 1 0 306.353 2.010 10 0 DEAERO C[C@H](CC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[S@](C)=O ZINC000711393360 1087083005 /nfs/dbraw/zinc/08/30/05/1087083005.db2.gz SGWWNVPIBUDMFO-WBSWQSFASA-N 1 0 318.483 2.036 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000718557836 1088581842 /nfs/dbraw/zinc/58/18/42/1088581842.db2.gz IBXHBNQJRDZHET-UHFFFAOYSA-N 1 0 315.186 2.332 10 0 DEAERO CCN1CC[C@@H]1C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719215897 1088908757 /nfs/dbraw/zinc/90/87/57/1088908757.db2.gz JPVSDFLDIMZHJX-SECBINFHSA-N 1 0 304.257 2.398 10 0 DEAERO COCC[C@@](C)(O)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719225676 1088911317 /nfs/dbraw/zinc/91/13/17/1088911317.db2.gz XUNGKRIEBZUEST-LLVKDONJSA-N 1 0 323.256 2.091 10 0 DEAERO Cc1nc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)sc1Br ZINC000719250974 1088914534 /nfs/dbraw/zinc/91/45/34/1088914534.db2.gz HCPFWQHABHAEQR-SFYZADRCSA-N 1 0 304.257 2.396 10 0 DEAERO Cc1nc(C[NH2+]CCc2ccnn2C)sc1Br ZINC000719317900 1088935965 /nfs/dbraw/zinc/93/59/65/1088935965.db2.gz PIDQXSMSOMYGOD-UHFFFAOYSA-N 1 0 315.240 2.280 10 0 DEAERO CN1CCCC[C@H]1C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724038293 1143897309 /nfs/dbraw/zinc/89/73/09/1143897309.db2.gz YAIUWRUINPNCIL-VHSXEESVSA-N 1 0 304.303 2.009 10 0 DEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000387016611 1144509048 /nfs/dbraw/zinc/50/90/48/1144509048.db2.gz ODIWEWFNMIPZGJ-HTQZYQBOSA-N 1 0 303.156 2.216 10 0 DEAERO C[N@H+]1CC=C(CNC(=O)c2cc(Br)ccc2N)CC1 ZINC000392820441 1144716983 /nfs/dbraw/zinc/71/69/83/1144716983.db2.gz PXXJDIRGXQBJQL-UHFFFAOYSA-N 1 0 324.222 2.023 10 0 DEAERO CC(C)CS(=O)(=O)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000081767939 192321528 /nfs/dbraw/zinc/32/15/28/192321528.db2.gz MXLRUEYWXDPCBQ-OAHLLOKOSA-N 1 0 302.484 2.216 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000278296478 214073862 /nfs/dbraw/zinc/07/38/62/214073862.db2.gz HOQNURYFBHTISP-GUYCJALGSA-N 1 0 317.433 2.224 10 0 DEAERO CC[NH2+][C@@H](CSCCS(C)(=O)=O)c1cccc(OC)c1 ZINC000081769105 192322738 /nfs/dbraw/zinc/32/27/38/192322738.db2.gz TWDRKWBTCUAZHL-AWEZNQCLSA-N 1 0 317.476 2.124 10 0 DEAERO CC(C)[C@H](SCCS(C)(=O)=O)[C@H]([NH3+])c1ccccc1 ZINC000081768782 192323073 /nfs/dbraw/zinc/32/30/73/192323073.db2.gz DHCAEKVXLDKFKO-KGLIPLIRSA-N 1 0 301.477 2.489 10 0 DEAERO CCC[NH2+][C@H](CSCC(=O)OC)c1ccc2c(c1)OCO2 ZINC000081794039 192324098 /nfs/dbraw/zinc/32/40/98/192324098.db2.gz NLDWWMVXXHCQPW-GFCCVEGCSA-N 1 0 311.403 2.362 10 0 DEAERO CCOC(=O)CSC[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000081796373 192324634 /nfs/dbraw/zinc/32/46/34/192324634.db2.gz LBRYGWYCXAPXEL-LBPRGKRZSA-N 1 0 311.403 2.015 10 0 DEAERO CC[NH2+][C@H]1CCOC[C@@H]1Sc1nc2cc(OC)ccc2[nH]1 ZINC000081866012 192332867 /nfs/dbraw/zinc/33/28/67/192332867.db2.gz UOMLQDGHYMJAKF-JSGCOSHPSA-N 1 0 307.419 2.431 10 0 DEAERO Cc1ccc([C@@H]([NH3+])[C@H](C)Sc2n[nH]c(=O)n2C2CC2)cc1 ZINC000081880287 192334349 /nfs/dbraw/zinc/33/43/49/192334349.db2.gz RHFWWMMMHJKTPW-GWCFXTLKSA-N 1 0 304.419 2.395 10 0 DEAERO CCCn1c(=O)[nH]nc1S[C@H]1C[C@@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000081879307 192334488 /nfs/dbraw/zinc/33/44/88/192334488.db2.gz BBAGFJAGSWVLPO-AVGNSLFASA-N 1 0 312.483 2.486 10 0 DEAERO CC(C)n1c(S[C@@H]2CCc3ccccc3[C@@H]2[NH3+])n[nH]c1=O ZINC000081879525 192334672 /nfs/dbraw/zinc/33/46/72/192334672.db2.gz ZQVWCGLWRGMTLQ-OLZOCXBDSA-N 1 0 304.419 2.259 10 0 DEAERO CCc1ccc([C@@H]([NH2+]C)[C@H](C)Sc2n[nH]c(=O)n2C)cc1 ZINC000081880543 192334678 /nfs/dbraw/zinc/33/46/78/192334678.db2.gz UTOZSSJACIJDMI-GWCFXTLKSA-N 1 0 306.435 2.112 10 0 DEAERO COC[C@@H](O)CN(C)c1cc(Cl)ccc1C[NH2+]C(C)C ZINC000162310306 197559257 /nfs/dbraw/zinc/55/92/57/197559257.db2.gz ZKVFPLLZFGAMDI-AWEZNQCLSA-N 1 0 300.830 2.282 10 0 DEAERO OCc1ccc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)o1 ZINC000151228583 282113103 /nfs/dbraw/zinc/11/31/03/282113103.db2.gz FKIHZSHQJOVPPP-LLVKDONJSA-N 1 0 307.781 2.189 10 0 DEAERO CCCC[C@@H](C[NH3+])NC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000162934080 197601477 /nfs/dbraw/zinc/60/14/77/197601477.db2.gz RWBCACDEFPDOCR-ZDUSSCGKSA-N 1 0 304.369 2.463 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)CC(C)C)c1ccc2c(c1)OCO2 ZINC000081929427 192340623 /nfs/dbraw/zinc/34/06/23/192340623.db2.gz QVPMEBGZRIMTCY-CYBMUJFWSA-N 1 0 313.419 2.137 10 0 DEAERO CC[C@H]([NH3+])[C@@H](C)S(=O)(=O)c1ccc(Br)cc1 ZINC000081933352 192340805 /nfs/dbraw/zinc/34/08/05/192340805.db2.gz MOVUGOIGTAQIDA-KCJUWKMLSA-N 1 0 306.225 2.349 10 0 DEAERO Cc1ncc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(C)n1 ZINC000180478238 282141977 /nfs/dbraw/zinc/14/19/77/282141977.db2.gz XTOLMUKMQWKZPY-HNNXBMFYSA-N 1 0 302.422 2.184 10 0 DEAERO c1cncc(-c2nnc(N3CC[NH+](C4CC4)CC3)n2CC2CC2)c1 ZINC000612570737 361863174 /nfs/dbraw/zinc/86/31/74/361863174.db2.gz PVDYAPAKPITSDH-UHFFFAOYSA-N 1 0 324.432 2.035 10 0 DEAERO CCC[NH2+][C@H](CC)CS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935514 192343070 /nfs/dbraw/zinc/34/30/70/192343070.db2.gz IJRIJSSNWMQZSW-GFCCVEGCSA-N 1 0 313.419 2.010 10 0 DEAERO C[C@@H]([NH3+])CCCCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936063 192343213 /nfs/dbraw/zinc/34/32/13/192343213.db2.gz QKYTZBHUJZSKQM-GFCCVEGCSA-N 1 0 313.419 2.139 10 0 DEAERO CC(C)[C@H]([NH3+])[C@@H](CO)Sc1ccc(Br)cn1 ZINC000164660317 197660156 /nfs/dbraw/zinc/66/01/56/197660156.db2.gz BKDJLGWJZZIMGM-KOLCDFICSA-N 1 0 305.241 2.280 10 0 DEAERO COc1ccccc1C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)C(C)C ZINC000152489274 282146529 /nfs/dbraw/zinc/14/65/29/282146529.db2.gz AGOIDRAWWODLBB-JKSUJKDBSA-N 1 0 304.434 2.473 10 0 DEAERO CC[NH2+][C@@H](c1ccccc1)[C@H](C(C)C)S(=O)(=O)CCOC ZINC000081943741 192344550 /nfs/dbraw/zinc/34/45/50/192344550.db2.gz CYZHIPDCACRWEJ-HOTGVXAUSA-N 1 0 313.463 2.423 10 0 DEAERO COC(=O)[C@@](C)([NH3+])CCSc1ccc(Br)cn1 ZINC000079447440 185172093 /nfs/dbraw/zinc/17/20/93/185172093.db2.gz WSPCIMNIBYSSBI-NSHDSACASA-N 1 0 319.224 2.217 10 0 DEAERO CC(C)(C)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000079358439 185166828 /nfs/dbraw/zinc/16/68/28/185166828.db2.gz OAEZEDQPGATMEF-ZIAGYGMSSA-N 1 0 302.484 2.216 10 0 DEAERO CS(=O)(=O)c1cccc(-c2nc3ccc(C[NH3+])cc3[nH]2)c1 ZINC000096874608 185389880 /nfs/dbraw/zinc/38/98/80/185389880.db2.gz AQYQDJMYCICVCE-UHFFFAOYSA-N 1 0 301.371 2.092 10 0 DEAERO CCCS(=O)(=O)[C@H]1CCc2cc(OC)ccc2[C@H]1[NH2+]CC ZINC000081961496 192345402 /nfs/dbraw/zinc/34/54/02/192345402.db2.gz UPTNKQQTOLQYAY-JKSUJKDBSA-N 1 0 311.447 2.485 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000082311194 185174828 /nfs/dbraw/zinc/17/48/28/185174828.db2.gz LLUDMVOKGZLXJG-SFHVURJKSA-N 1 0 315.461 2.205 10 0 DEAERO COc1cc(Br)c(C(=O)[C@H]2CCC[NH2+]2)cc1OC ZINC000082724505 185197042 /nfs/dbraw/zinc/19/70/42/185197042.db2.gz CEZQMIDIXFIEMN-SNVBAGLBSA-N 1 0 314.179 2.401 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)[S@](C)=O ZINC000165168576 197671467 /nfs/dbraw/zinc/67/14/67/197671467.db2.gz GZYKVGULBDKVPI-AYMFLGRJSA-N 1 0 318.483 2.179 10 0 DEAERO C[C@@H]([NH3+])C[C@@H](C)S(=O)(=O)c1ccccc1Br ZINC000082798460 185204800 /nfs/dbraw/zinc/20/48/00/185204800.db2.gz OTTQLNAXKZSDGK-RKDXNWHRSA-N 1 0 306.225 2.349 10 0 DEAERO CCOc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000153713823 282173024 /nfs/dbraw/zinc/17/30/24/282173024.db2.gz CGDYNRCQEKSTER-HIFRSBDPSA-N 1 0 318.421 2.428 10 0 DEAERO CC(C)[NH2+][C@@H](CO)CSc1ncccc1Br ZINC000082905351 185209463 /nfs/dbraw/zinc/20/94/63/185209463.db2.gz XQKGYGYUCDSNQF-VIFPVBQESA-N 1 0 305.241 2.295 10 0 DEAERO COc1ccc(OC)c([C@@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170826748 282180516 /nfs/dbraw/zinc/18/05/16/282180516.db2.gz VCMGRPNZBSMJFR-OLZOCXBDSA-N 1 0 321.421 2.110 10 0 DEAERO O=C(C[C@H]1CCCCC(=O)N1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000328679826 231305418 /nfs/dbraw/zinc/30/54/18/231305418.db2.gz UEULUOMARFBBDV-HUUCEWRRSA-N 1 0 307.438 2.220 10 0 DEAERO CCC[C@H](C[NH3+])NC(=O)c1cc(Br)ccc1F ZINC000087387525 185223323 /nfs/dbraw/zinc/22/33/23/185223323.db2.gz BNMAHVLQOJDJKW-SECBINFHSA-N 1 0 303.175 2.445 10 0 DEAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000087403982 185223802 /nfs/dbraw/zinc/22/38/02/185223802.db2.gz XYPSSRAOMJFEIB-SNVBAGLBSA-N 1 0 311.234 2.399 10 0 DEAERO Cc1cc([C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)[nH]n1 ZINC000328704823 231315143 /nfs/dbraw/zinc/31/51/43/231315143.db2.gz YKQOQANOLRQFQT-RDJZCZTQSA-N 1 0 316.449 2.299 10 0 DEAERO CC[C@@H]1CN(C(=O)c2snnc2C(C)(C)C)[C@@H](CC)C[NH2+]1 ZINC000087456115 185225591 /nfs/dbraw/zinc/22/55/91/185225591.db2.gz AHDDKWVWFOFXLL-MNOVXSKESA-N 1 0 310.467 2.438 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000087519132 185227496 /nfs/dbraw/zinc/22/74/96/185227496.db2.gz HHNMISOSUPIEGY-JQWIXIFHSA-N 1 0 313.239 2.481 10 0 DEAERO CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000087516823 185227531 /nfs/dbraw/zinc/22/75/31/185227531.db2.gz YRVCXNQCEGLXAR-WOPDTQHZSA-N 1 0 310.360 2.224 10 0 DEAERO COc1cc(Cl)c([C@H]([NH3+])CC(C)(C)C(N)=O)cc1OC ZINC000087722291 185231016 /nfs/dbraw/zinc/23/10/16/185231016.db2.gz IFLCUCHNIDNWGF-SNVBAGLBSA-N 1 0 300.786 2.259 10 0 DEAERO NNc1nc(NCc2ccc(Br)s2)c(F)c[nH+]1 ZINC000087880190 185234579 /nfs/dbraw/zinc/23/45/79/185234579.db2.gz ILZDECVZWZEYMT-UHFFFAOYSA-N 1 0 318.175 2.337 10 0 DEAERO Cc1ccc(CNc2nc(NN)[nH+]cc2Br)cc1 ZINC000087905174 185237369 /nfs/dbraw/zinc/23/73/69/185237369.db2.gz MGITYXMWMLKXOQ-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO O[C@H](CSc1ccc2ccccc2c1)CN1CC[NH2+]CC1 ZINC000088061911 185238537 /nfs/dbraw/zinc/23/85/37/185238537.db2.gz AESRUBLXIAXSIR-INIZCTEOSA-N 1 0 302.443 2.198 10 0 DEAERO CC(C)[C@@H](CNC(=O)c1ccc2nc(N)sc2c1)[NH+](C)C ZINC000087847447 185233344 /nfs/dbraw/zinc/23/33/44/185233344.db2.gz FIGRCHZMSJZNGE-GFCCVEGCSA-N 1 0 306.435 2.195 10 0 DEAERO O=C(Nc1c(F)cc(Br)cc1F)[C@H]1CC[NH2+]C1 ZINC000088168532 185240779 /nfs/dbraw/zinc/24/07/79/185240779.db2.gz BCIOLXRXCAWOAB-LURJTMIESA-N 1 0 305.122 2.275 10 0 DEAERO CN(CCc1ccccc1)S(=O)(=O)c1ccccc1C[NH3+] ZINC000088196226 185241436 /nfs/dbraw/zinc/24/14/36/185241436.db2.gz RVCSICLQFRXRDX-UHFFFAOYSA-N 1 0 304.415 2.009 10 0 DEAERO NC(=S)CC1(C[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000088256880 185243941 /nfs/dbraw/zinc/24/39/41/185243941.db2.gz YZJCTMNMGMKIQS-UHFFFAOYSA-N 1 0 307.438 2.404 10 0 DEAERO [NH3+]CCC1(CS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000088272354 185244221 /nfs/dbraw/zinc/24/42/21/185244221.db2.gz XPYDHZHTRYDYNA-UHFFFAOYSA-N 1 0 318.236 2.352 10 0 DEAERO O=c1c2cc(Br)ccc2ncn1C[C@@H]1CCCC[NH2+]1 ZINC000088452954 185251781 /nfs/dbraw/zinc/25/17/81/185251781.db2.gz BZXZCRUCQAENMM-NSHDSACASA-N 1 0 322.206 2.301 10 0 DEAERO CC[C@@H](C[NH3+])S(=O)(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000088473399 185252274 /nfs/dbraw/zinc/25/22/74/185252274.db2.gz MFYTXYASTRSPBY-JTQLQIEISA-N 1 0 310.341 2.493 10 0 DEAERO [NH3+]Cc1ccccc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000088419190 185249506 /nfs/dbraw/zinc/24/95/06/185249506.db2.gz VKYNFZLQNDYAAA-LLVKDONJSA-N 1 0 322.352 2.108 10 0 DEAERO COC(=O)[C@](C)(C[NH+]1CCC(C(F)(F)F)CC1)NC(C)C ZINC000088435463 185250564 /nfs/dbraw/zinc/25/05/64/185250564.db2.gz RQCGUPGOWQXYQR-ZDUSSCGKSA-N 1 0 310.360 2.190 10 0 DEAERO CC[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000088435655 185250586 /nfs/dbraw/zinc/25/05/86/185250586.db2.gz IBBHJZFCJKHKCP-MFKMUULPSA-N 1 0 310.360 2.492 10 0 DEAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000170873765 282200963 /nfs/dbraw/zinc/20/09/63/282200963.db2.gz KLBSRLQHSUNNNV-SNVBAGLBSA-N 1 0 322.352 2.030 10 0 DEAERO C(c1noc([C@@]23CCC[C@@H]2C[N@H+](C[C@H]2CCOC2)C3)n1)C1CC1 ZINC000364604392 404467691 /nfs/dbraw/zinc/46/76/91/404467691.db2.gz JVFQREBMVPTWFQ-IIDMSEBBSA-N 1 0 317.433 2.412 10 0 DEAERO CC[NH2+][C@H](Cc1nc2ccccc2o1)C(C)(C)S(C)(=O)=O ZINC000088518437 185254725 /nfs/dbraw/zinc/25/47/25/185254725.db2.gz CEBHDWWHACUQPJ-CYBMUJFWSA-N 1 0 310.419 2.172 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1COC ZINC000177349939 282204816 /nfs/dbraw/zinc/20/48/16/282204816.db2.gz MSCUBMQWSBQPRV-KRWDZBQOSA-N 1 0 319.449 2.459 10 0 DEAERO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000088539592 185255359 /nfs/dbraw/zinc/25/53/59/185255359.db2.gz MHHRLGDHYQSWIK-PSOPSSQASA-N 1 0 312.435 2.231 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)o1 ZINC000088540909 185255746 /nfs/dbraw/zinc/25/57/46/185255746.db2.gz JZNVSBUZXPCGEP-GHMZBOCLSA-N 1 0 300.424 2.102 10 0 DEAERO C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000088704752 185262738 /nfs/dbraw/zinc/26/27/38/185262738.db2.gz YGJLMWWVRLZUMF-WDEREUQCSA-N 1 0 300.399 2.094 10 0 DEAERO CCC[NH2+][C@H](c1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000088567525 185258194 /nfs/dbraw/zinc/25/81/94/185258194.db2.gz RGSYOTKTDPYZEN-HZPDHXFCSA-N 1 0 311.447 2.308 10 0 DEAERO C[N@@H+]1CCCN(C(=O)c2sc3ccc(F)cc3c2N)CC1 ZINC000088639832 185260768 /nfs/dbraw/zinc/26/07/68/185260768.db2.gz DCQIKTPFOYXLRZ-UHFFFAOYSA-N 1 0 307.394 2.400 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)CC[C@@H]2C)o1 ZINC000088713674 185262950 /nfs/dbraw/zinc/26/29/50/185262950.db2.gz QVTLCYMAYSUSHP-NEPJUHHUSA-N 1 0 300.424 2.198 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccc(F)cc1F ZINC000177772090 282207832 /nfs/dbraw/zinc/20/78/32/282207832.db2.gz TYXYPQLUKMXVJO-CYBMUJFWSA-N 1 0 309.360 2.073 10 0 DEAERO c1cc2c(cc1-c1nnc(CC[NH2+]C3CC3)s1)OCCO2 ZINC000088823651 185266487 /nfs/dbraw/zinc/26/64/87/185266487.db2.gz MYHNRUHUSZOJEW-UHFFFAOYSA-N 1 0 303.387 2.271 10 0 DEAERO COCC[NH2+]CCc1nnc(-c2c(F)cc(F)cc2F)s1 ZINC000088824209 185266670 /nfs/dbraw/zinc/26/66/70/185266670.db2.gz GRYMFMAOMFFDFU-UHFFFAOYSA-N 1 0 317.336 2.401 10 0 DEAERO CC(C)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000088836753 185266875 /nfs/dbraw/zinc/26/68/75/185266875.db2.gz OZJSBLDVQCFLBC-ZDUSSCGKSA-N 1 0 300.399 2.094 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000088715641 185263132 /nfs/dbraw/zinc/26/31/32/185263132.db2.gz MYOYJWRBMQSWOY-HNNXBMFYSA-N 1 0 308.447 2.148 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000088716327 185263186 /nfs/dbraw/zinc/26/31/86/185263186.db2.gz ARDYUXXKBJGZOP-OAHLLOKOSA-N 1 0 310.463 2.394 10 0 DEAERO C[C@@H]([NH3+])CCCS(=O)(=O)c1cccc(Br)c1 ZINC000081982720 192349635 /nfs/dbraw/zinc/34/96/35/192349635.db2.gz FJGXPSRGGXPXGB-SECBINFHSA-N 1 0 306.225 2.350 10 0 DEAERO CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081990567 192350189 /nfs/dbraw/zinc/35/01/89/192350189.db2.gz CIXBYAFOZWKBKN-KBPBESRZSA-N 1 0 303.468 2.137 10 0 DEAERO COc1ccccc1S(=O)(=O)[C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000081987379 192350829 /nfs/dbraw/zinc/35/08/29/192350829.db2.gz XMSRLBLRZPUYLS-JKSUJKDBSA-N 1 0 303.383 2.094 10 0 DEAERO CC[NH2+][C@H](c1ccccc1)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000081989519 192351133 /nfs/dbraw/zinc/35/11/33/192351133.db2.gz MMRFEZFNCDIPFR-CJNGLKHVSA-N 1 0 311.447 2.320 10 0 DEAERO CC[NH2+][C@H](C[S@](=O)CCCOC)c1cc(C)ccc1OC ZINC000081998323 192351839 /nfs/dbraw/zinc/35/18/39/192351839.db2.gz XVQWVPBZOYTMTL-VFNWGFHPSA-N 1 0 313.463 2.439 10 0 DEAERO COc1ccc([C@H]([NH3+])CS(=O)(=O)c2ccccc2C)cc1 ZINC000082005005 192353224 /nfs/dbraw/zinc/35/32/24/192353224.db2.gz ORQHTGPFIOKJSG-OAHLLOKOSA-N 1 0 305.399 2.477 10 0 DEAERO CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1C[NH2+]C1 ZINC000090290316 185289722 /nfs/dbraw/zinc/28/97/22/185289722.db2.gz WDGNFLQOCZJJIA-UHFFFAOYSA-N 1 0 322.623 2.489 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000090293293 185290015 /nfs/dbraw/zinc/29/00/15/185290015.db2.gz NJGXLQSUOSJBRO-UHFFFAOYSA-N 1 0 310.463 2.357 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090337889 185291908 /nfs/dbraw/zinc/29/19/08/185291908.db2.gz GFTLBTNHJPJPPH-NEPJUHHUSA-N 1 0 308.809 2.499 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1c1nc(-c2ccc(Br)s2)no1 ZINC000090364813 185292801 /nfs/dbraw/zinc/29/28/01/185292801.db2.gz GASXRQZMWHFCFF-PHDIDXHHSA-N 1 0 316.180 2.002 10 0 DEAERO Cn1cnnc1CC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000166446599 197693378 /nfs/dbraw/zinc/69/33/78/197693378.db2.gz VTIIDCXCACLNPQ-UHFFFAOYSA-N 1 0 301.781 2.349 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000090433781 185296107 /nfs/dbraw/zinc/29/61/07/185296107.db2.gz ZIPKIHQGTARFCT-GWCFXTLKSA-N 1 0 305.765 2.061 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000090433780 185296141 /nfs/dbraw/zinc/29/61/41/185296141.db2.gz ZIPKIHQGTARFCT-GXFFZTMASA-N 1 0 305.765 2.061 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1c2ncsc2ccc1Cl ZINC000090432863 185296313 /nfs/dbraw/zinc/29/63/13/185296313.db2.gz FSAASTYZGUFZJV-CBAPKCEASA-N 1 0 311.794 2.123 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000090436990 185296393 /nfs/dbraw/zinc/29/63/93/185296393.db2.gz LWNHPBYDXFAOQU-JQWIXIFHSA-N 1 0 302.296 2.187 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000090432893 185296445 /nfs/dbraw/zinc/29/64/45/185296445.db2.gz XOEDFDGKEVFALQ-SCZZXKLOSA-N 1 0 320.336 2.471 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1CN(C)Cc1cc(Br)cs1 ZINC000090438879 185296736 /nfs/dbraw/zinc/29/67/36/185296736.db2.gz JNAJQKVHBJYAEQ-JOYOIKCWSA-N 1 0 319.268 2.177 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090590497 185305444 /nfs/dbraw/zinc/30/54/44/185305444.db2.gz RGRYJIDMDZOHIN-OCCSQVGLSA-N 1 0 317.216 2.316 10 0 DEAERO Cc1ccc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])cc1C(F)(F)F ZINC000090601198 185306008 /nfs/dbraw/zinc/30/60/08/185306008.db2.gz IKOCEQNUWKHGEL-AAEUAGOBSA-N 1 0 302.296 2.316 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(OC)ccc1Cl ZINC000090544068 185302207 /nfs/dbraw/zinc/30/22/07/185302207.db2.gz GCYYPKRNFAYYNS-FZMZJTMJSA-N 1 0 312.797 2.302 10 0 DEAERO Cc1ccc(OC2CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000090686797 185309561 /nfs/dbraw/zinc/30/95/61/185309561.db2.gz HUIGUSOQNNOCKJ-HNNXBMFYSA-N 1 0 317.433 2.102 10 0 DEAERO COC(C[C@@H](C[NH3+])Nc1ccc(Br)cc1)OC ZINC000090625444 185307262 /nfs/dbraw/zinc/30/72/62/185307262.db2.gz UUXNEPWAZLSOED-NSHDSACASA-N 1 0 303.200 2.197 10 0 DEAERO C[C@@H](C[NH3+])C[S@@](=O)CCOc1ccc(Br)cc1 ZINC000167292991 197706047 /nfs/dbraw/zinc/70/60/47/197706047.db2.gz DTGHFOONGWUHIH-DYZYQPBXSA-N 1 0 320.252 2.171 10 0 DEAERO CC(C)[C@@H](CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000092395138 185315919 /nfs/dbraw/zinc/31/59/19/185315919.db2.gz IIAFRDFKGLQQIO-ZWNOBZJWSA-N 1 0 322.232 2.340 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000092394784 185315923 /nfs/dbraw/zinc/31/59/23/185315923.db2.gz NUBNRGAFSQNSJD-HZMBPMFUSA-N 1 0 322.232 2.340 10 0 DEAERO Cc1cccc(CSc2nnnn2CC[NH2+]C(C)(C)C)n1 ZINC000092432906 185317938 /nfs/dbraw/zinc/31/79/38/185317938.db2.gz SGMWMGUKZJOAAF-UHFFFAOYSA-N 1 0 306.439 2.057 10 0 DEAERO C[C@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000183206546 282240466 /nfs/dbraw/zinc/24/04/66/282240466.db2.gz IPJDTQXVOAZBGR-ZDUSSCGKSA-N 1 0 305.422 2.331 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)n1cnc(C(=O)OC)n1 ZINC000167341675 197707296 /nfs/dbraw/zinc/70/72/96/197707296.db2.gz UCSJWDPBYVFCGV-VXGBXAGGSA-N 1 0 308.769 2.045 10 0 DEAERO C[C@@H](CC[NH+](C)C)n1c(N)nc2cc(Br)cnc21 ZINC000092575587 185326809 /nfs/dbraw/zinc/32/68/09/185326809.db2.gz CGVGNLZOACSIRA-QMMMGPOBSA-N 1 0 312.215 2.289 10 0 DEAERO [NH3+]C1CCN(CC(=O)Nc2nc3ccc(Cl)cc3s2)CC1 ZINC000092713488 185335716 /nfs/dbraw/zinc/33/57/16/185335716.db2.gz PKVHPDQALBJXDQ-UHFFFAOYSA-N 1 0 324.837 2.311 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@]12CC[NH2+]C[C@@H]2Cc1ccccc1 ZINC000092691429 185333781 /nfs/dbraw/zinc/33/37/81/185333781.db2.gz JZSUNGGWYYOKTF-BBWFWOEESA-N 1 0 307.459 2.422 10 0 DEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1Sc1n[nH]c(C)n1 ZINC000092860888 185347160 /nfs/dbraw/zinc/34/71/60/185347160.db2.gz HGJVWPWEBTVMEO-UONOGXRCSA-N 1 0 304.419 2.489 10 0 DEAERO [NH3+]CCc1ccc(OCc2cncc(Br)c2)cn1 ZINC000168329593 197721103 /nfs/dbraw/zinc/72/11/03/197721103.db2.gz AGODZJYPEJFLRD-UHFFFAOYSA-N 1 0 308.179 2.319 10 0 DEAERO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CCCC[C@@H]1O ZINC000181470834 199302320 /nfs/dbraw/zinc/30/23/20/199302320.db2.gz GWBBWGJGEUUUPJ-ABAIWWIYSA-N 1 0 312.360 2.386 10 0 DEAERO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000181495025 199306371 /nfs/dbraw/zinc/30/63/71/199306371.db2.gz PFGULCOGDLCTDE-CHWSQXEVSA-N 1 0 314.385 2.168 10 0 DEAERO COCc1ccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)o1 ZINC000097007507 185396689 /nfs/dbraw/zinc/39/66/89/185396689.db2.gz NLNNHGMBPAYACR-HNNXBMFYSA-N 1 0 316.401 2.329 10 0 DEAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccncc1 ZINC000036954911 539334512 /nfs/dbraw/zinc/33/45/12/539334512.db2.gz DYKRVXSUSZVVNO-VXGBXAGGSA-N 1 0 305.403 2.141 10 0 DEAERO O=C(CC[NH2+]C1CC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000037822495 539335491 /nfs/dbraw/zinc/33/54/91/539335491.db2.gz GMUHBGDJAZPKOA-HNNXBMFYSA-N 1 0 308.809 2.382 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000049044827 539339171 /nfs/dbraw/zinc/33/91/71/539339171.db2.gz TVLSKHHCNDWXRR-NSHDSACASA-N 1 0 314.476 2.264 10 0 DEAERO COc1ccc(OC)c(C[N@H+](C[C@H](O)CSC)C2CC2)c1 ZINC000187815500 282291431 /nfs/dbraw/zinc/29/14/31/282291431.db2.gz IXGUXKLUUSPTMK-AWEZNQCLSA-N 1 0 311.447 2.392 10 0 DEAERO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cc(C(N)=O)co2)CC1 ZINC000189417648 282309325 /nfs/dbraw/zinc/30/93/25/282309325.db2.gz BBFMDKYNFIRRKZ-UHFFFAOYSA-N 1 0 322.405 2.369 10 0 DEAERO COc1c(C[NH2+]CCc2cc(C)c(O)c(C)c2)c(C)nn1C ZINC000190390518 282319912 /nfs/dbraw/zinc/31/99/12/282319912.db2.gz RGRNCMJYUMEARJ-UHFFFAOYSA-N 1 0 303.406 2.392 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC[C@@H]1C ZINC000190723142 282325144 /nfs/dbraw/zinc/32/51/44/282325144.db2.gz WKCKJOZWTNWCRU-HRCADAONSA-N 1 0 311.470 2.173 10 0 DEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccncc3Br)C[C@H]2C1 ZINC000625473025 365800915 /nfs/dbraw/zinc/80/09/15/365800915.db2.gz UFOJIJZDJWOEKA-CYZMBNFOSA-N 1 0 311.223 2.437 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCC[NH+](C)C)C2)c(C)c1 ZINC000170557382 197779357 /nfs/dbraw/zinc/77/93/57/197779357.db2.gz RLYKRJSKWQCZHL-HNNXBMFYSA-N 1 0 317.433 2.042 10 0 DEAERO CC(=O)CCC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000193007642 282346865 /nfs/dbraw/zinc/34/68/65/282346865.db2.gz AVZAXEDVLROGPS-UHFFFAOYSA-N 1 0 308.809 2.184 10 0 DEAERO Cc1nn(C)c(C[NH2+]CC[C@@H]2CCCO2)c1Br ZINC000089232037 539410977 /nfs/dbraw/zinc/41/09/77/539410977.db2.gz HWDMJAGOYFLONW-JTQLQIEISA-N 1 0 302.216 2.150 10 0 DEAERO O[C@H](C[NH2+]CC1CC(O)C1)COc1ccc(Cl)cc1Cl ZINC000091525479 539419527 /nfs/dbraw/zinc/41/95/27/539419527.db2.gz JDCLIQJLZFSUPS-QEWOUOOISA-N 1 0 320.216 2.094 10 0 DEAERO Cc1cc(NC(=O)COC2(C)C[NH2+]C2)ccc1Br ZINC000098060276 539436027 /nfs/dbraw/zinc/43/60/27/539436027.db2.gz GEYNCQDIDUBMOX-UHFFFAOYSA-N 1 0 313.195 2.075 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)COC1(C)C[NH2+]C1 ZINC000098060414 539436046 /nfs/dbraw/zinc/43/60/46/539436046.db2.gz IBQNYXSPJGOAMA-UHFFFAOYSA-N 1 0 313.195 2.075 10 0 DEAERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc2c(c1)OCCCO2 ZINC000125600094 539474025 /nfs/dbraw/zinc/47/40/25/539474025.db2.gz IUVDZZQHUVOIGY-RDTXWAMCSA-N 1 0 321.417 2.288 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC(C)(C)c2ccncc2)C1 ZINC000129580864 539490838 /nfs/dbraw/zinc/49/08/38/539490838.db2.gz VDGFVNLGGODHGL-ZBFHGGJFSA-N 1 0 318.465 2.387 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCC(C)(C)c2ccncc2)[C@@H](C)C1 ZINC000129581064 539491130 /nfs/dbraw/zinc/49/11/30/539491130.db2.gz VDGFVNLGGODHGL-HOCLYGCPSA-N 1 0 318.465 2.387 10 0 DEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000111713559 185628611 /nfs/dbraw/zinc/62/86/11/185628611.db2.gz OIZCLPRUDODDCY-LSDHHAIUSA-N 1 0 310.463 2.475 10 0 DEAERO Brc1cnc(N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000111751185 185632762 /nfs/dbraw/zinc/63/27/62/185632762.db2.gz IKUHSWMBTCXDEC-RYUDHWBXSA-N 1 0 311.227 2.350 10 0 DEAERO O=C(NCCOC1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000111789873 185636869 /nfs/dbraw/zinc/63/68/69/185636869.db2.gz RZUMSOSMNRAPRP-UHFFFAOYSA-N 1 0 317.216 2.492 10 0 DEAERO CC[C@H](C[NH+]1CCCC1)NC(=O)CC1(CC(=O)OC)CCCC1 ZINC000615761903 362699703 /nfs/dbraw/zinc/69/97/03/362699703.db2.gz YTBUEEIHSPTNOZ-OAHLLOKOSA-N 1 0 324.465 2.491 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](C)N1CCCc1nc(-c2cccs2)no1 ZINC000069134521 190801195 /nfs/dbraw/zinc/80/11/95/190801195.db2.gz DPHKNSAZFROPPY-RYUDHWBXSA-N 1 0 306.435 2.413 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C1(CC)CC ZINC000248848659 282532978 /nfs/dbraw/zinc/53/29/78/282532978.db2.gz SPMBECIIIYPBDA-BFHYXJOUSA-N 1 0 305.484 2.241 10 0 DEAERO CC[C@@H]1CCCCCN1S(=O)(=O)c1ccc(C[NH2+]C)cn1 ZINC000126516520 185870452 /nfs/dbraw/zinc/87/04/52/185870452.db2.gz GUWWEZPMYVSEKH-CQSZACIVSA-N 1 0 311.451 2.144 10 0 DEAERO OC[C@@H](c1ccc(Cl)cc1Br)N1CC[NH2+]CC1 ZINC000126526929 185871096 /nfs/dbraw/zinc/87/10/96/185871096.db2.gz ZHBNDVLSURKVMA-LBPRGKRZSA-N 1 0 319.630 2.041 10 0 DEAERO O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)[C@H]1C[NH2+]CCO1 ZINC000163649370 539601372 /nfs/dbraw/zinc/60/13/72/539601372.db2.gz XFXRZLGSTKXTLD-MRXNPFEDSA-N 1 0 322.368 2.157 10 0 DEAERO C[NH2+]C[C@@H]1CN(Cc2c(Cl)cc(C)nc2Cl)CCO1 ZINC000126594233 185877132 /nfs/dbraw/zinc/87/71/32/185877132.db2.gz IBKJPGKEZPQKRN-SNVBAGLBSA-N 1 0 304.221 2.117 10 0 DEAERO CCc1nn(CC)c(C[C@@]2(F)CC[NH2+]C2)c1Br ZINC000126763788 185891230 /nfs/dbraw/zinc/89/12/30/185891230.db2.gz AWYJIRWNLKUPMS-LBPRGKRZSA-N 1 0 304.207 2.472 10 0 DEAERO C[C@H]1CCN(C(=O)c2ccc(Br)c(F)c2)C[C@H]1[NH3+] ZINC000070146102 190862854 /nfs/dbraw/zinc/86/28/54/190862854.db2.gz DGIMWUWTVBDXAD-QPUJVOFHSA-N 1 0 315.186 2.398 10 0 DEAERO C[C@H]1CCC[C@@H](C[NH3+])N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000070153749 190863649 /nfs/dbraw/zinc/86/36/49/190863649.db2.gz WWSRKUYABMJNHZ-JQWIXIFHSA-N 1 0 302.827 2.230 10 0 DEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1S(=O)(=O)c1ccc(F)cc1Cl ZINC000070153313 190863818 /nfs/dbraw/zinc/86/38/18/190863818.db2.gz LIBZMYAUVHPDDB-KOLCDFICSA-N 1 0 320.817 2.370 10 0 DEAERO CCC[C@H](C(N)=S)[NH+]1CCN(CCc2ccsc2)CC1 ZINC000070246553 190875389 /nfs/dbraw/zinc/87/53/89/190875389.db2.gz ORKNPLGPUOBAPX-CQSZACIVSA-N 1 0 311.520 2.363 10 0 DEAERO CN(Cc1nc2ccccc2n1C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000168841894 539612896 /nfs/dbraw/zinc/61/28/96/539612896.db2.gz JPOUZSYZMZQZJA-QWHCGFSZSA-N 1 0 300.406 2.049 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](c2cccc(CO)c2)C1 ZINC000616611147 362897922 /nfs/dbraw/zinc/89/79/22/362897922.db2.gz ATRKCWVBIYTPQO-MRXNPFEDSA-N 1 0 320.433 2.493 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2cncnc2)C1 ZINC000616621459 362898896 /nfs/dbraw/zinc/89/88/96/362898896.db2.gz OMJFBKCPTNHVAP-ZDUSSCGKSA-N 1 0 306.410 2.181 10 0 DEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccc(CCO)cc1 ZINC000616635111 362901939 /nfs/dbraw/zinc/90/19/39/362901939.db2.gz AVPYNYFNOWRIKT-HNNXBMFYSA-N 1 0 306.406 2.103 10 0 DEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000181035381 539648276 /nfs/dbraw/zinc/64/82/76/539648276.db2.gz RUJDYWBDYIHEDP-NEPJUHHUSA-N 1 0 311.389 2.167 10 0 DEAERO C[NH+](C)C1(CNC(=O)C/C=C\c2cccc(F)c2)CCOCC1 ZINC000255124617 282617544 /nfs/dbraw/zinc/61/75/44/282617544.db2.gz NHDUDMBVKHQFHP-XQRVVYSFSA-N 1 0 320.408 2.456 10 0 DEAERO COc1ccc(-c2ccc(N3CCC([NH3+])CC3)nn2)cc1OC ZINC000070458924 190898351 /nfs/dbraw/zinc/89/83/51/190898351.db2.gz YVXYPSVXWJCNPS-UHFFFAOYSA-N 1 0 314.389 2.088 10 0 DEAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000182901368 539658522 /nfs/dbraw/zinc/65/85/22/539658522.db2.gz VELFKFMSKWIDQI-MLGOLLRUSA-N 1 0 302.349 2.476 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(CC2CC2)c1 ZINC000181997586 539654128 /nfs/dbraw/zinc/65/41/28/539654128.db2.gz DVLYAOJLKQDSAA-HZPDHXFCSA-N 1 0 317.437 2.384 10 0 DEAERO [NH3+]CCc1ncc(-c2cccc(I)c2)o1 ZINC000083554853 192372390 /nfs/dbraw/zinc/37/23/90/192372390.db2.gz HBSPFWSWGLTBPC-UHFFFAOYSA-N 1 0 314.126 2.447 10 0 DEAERO C[C@H]1CCC[C@H](NC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000187853382 539680095 /nfs/dbraw/zinc/68/00/95/539680095.db2.gz KJDCQUJEFKFNPU-HOTGVXAUSA-N 1 0 311.470 2.367 10 0 DEAERO CSCC[C@@H](C)[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000130152200 185941493 /nfs/dbraw/zinc/94/14/93/185941493.db2.gz VCEYPFSMDGKEMI-LLVKDONJSA-N 1 0 310.419 2.128 10 0 DEAERO Cc1cc(Br)c([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)s1 ZINC000083677984 192378632 /nfs/dbraw/zinc/37/86/32/192378632.db2.gz NZEVHZNIEHTOPZ-VXNVDRBHSA-N 1 0 324.265 2.254 10 0 DEAERO NC(=S)c1ncccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000130261487 185950799 /nfs/dbraw/zinc/95/07/99/185950799.db2.gz GRVJOMCTVCZXRG-UHFFFAOYSA-N 1 0 304.463 2.171 10 0 DEAERO C[C@H]1CC[C@H](C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)O1 ZINC000190524991 539695644 /nfs/dbraw/zinc/69/56/44/539695644.db2.gz OPOIHNNXRAFFAX-DOTOQJQBSA-N 1 0 320.481 2.323 10 0 DEAERO Cc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccn1C ZINC000192547776 539707708 /nfs/dbraw/zinc/70/77/08/539707708.db2.gz OJVBFBVKBKVLJE-RHSMWYFYSA-N 1 0 301.434 2.422 10 0 DEAERO [NH3+]C[C@H](NC[C@@H]1CCCO1)c1cc(Br)cs1 ZINC000083774352 192382319 /nfs/dbraw/zinc/38/23/19/192382319.db2.gz NBSGKZQJYLGWFH-UWVGGRQHSA-N 1 0 305.241 2.279 10 0 DEAERO C[C@@H](C(=O)NCCC1=CCCCC1)N1CCC([NH+](C)C)CC1 ZINC000193816690 539715252 /nfs/dbraw/zinc/71/52/52/539715252.db2.gz HTGFACCXHBHZKB-HNNXBMFYSA-N 1 0 307.482 2.408 10 0 DEAERO Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000193818861 539715257 /nfs/dbraw/zinc/71/52/57/539715257.db2.gz YRJRHWVXYOUKNK-CYBMUJFWSA-N 1 0 307.413 2.487 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000194623977 539718948 /nfs/dbraw/zinc/71/89/48/539718948.db2.gz AOUCLKNLOSOYGO-HNNXBMFYSA-N 1 0 315.417 2.028 10 0 DEAERO C[NH2+][C@@H](CCOC)Cc1ccc(I)cc1 ZINC000083850774 192385963 /nfs/dbraw/zinc/38/59/63/192385963.db2.gz WDLBLEJBSAWAQU-LBPRGKRZSA-N 1 0 319.186 2.458 10 0 DEAERO CN1C[C@H]([NH2+]Cc2ccc(Br)cc2F)CCC1=O ZINC000084063322 192399624 /nfs/dbraw/zinc/39/96/24/192399624.db2.gz KJSSBBCEWHCJJL-LLVKDONJSA-N 1 0 315.186 2.299 10 0 DEAERO Clc1cnc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)s1 ZINC000225316022 539729976 /nfs/dbraw/zinc/72/99/76/539729976.db2.gz UXILHDNAEJTZIM-JTQLQIEISA-N 1 0 309.826 2.345 10 0 DEAERO NC(=O)[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1 ZINC000133372305 185978233 /nfs/dbraw/zinc/97/82/33/185978233.db2.gz OKFYZKUBALYLIA-CABCVRRESA-N 1 0 306.381 2.434 10 0 DEAERO CC(C)[C@@H]([NH3+])c1nc(CC(=O)Nc2ncccc2O)cs1 ZINC000071694406 191009019 /nfs/dbraw/zinc/00/90/19/191009019.db2.gz ZXIJWJGRSLFPQT-GFCCVEGCSA-N 1 0 306.391 2.081 10 0 DEAERO C[C@@H](c1ccncc1)N1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000071700497 191009805 /nfs/dbraw/zinc/00/98/05/191009805.db2.gz YSJLLAZLSKLMOT-HNNXBMFYSA-N 1 0 324.428 2.059 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnn(CC2CC2)c1 ZINC000245994158 539759862 /nfs/dbraw/zinc/75/98/62/539759862.db2.gz DVLYAOJLKQDSAA-CVEARBPZSA-N 1 0 317.437 2.384 10 0 DEAERO Cc1cc(C)c(C)c(S(=O)(=O)N[C@@](C)(C[NH3+])C2CC2)c1C ZINC000133736657 186010343 /nfs/dbraw/zinc/01/03/43/186010343.db2.gz DKLLYPWLUWUHER-INIZCTEOSA-N 1 0 310.463 2.326 10 0 DEAERO CCCN(CC)S(=O)(=O)c1cc(C[NH2+]CC)cc(F)c1F ZINC000138448259 186016835 /nfs/dbraw/zinc/01/68/35/186016835.db2.gz QBRQTXPQSWVZOL-UHFFFAOYSA-N 1 0 320.405 2.495 10 0 DEAERO Cn1ncc(Br)c1[C@@H]([NH3+])c1ccc2c(c1)COC2 ZINC000133832208 186012874 /nfs/dbraw/zinc/01/28/74/186012874.db2.gz ALVAZJLZJXNBOG-LBPRGKRZSA-N 1 0 308.179 2.261 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(Br)c1O ZINC000133839648 186013746 /nfs/dbraw/zinc/01/37/46/186013746.db2.gz RLRRPCZPYNKFEP-DTWKUNHWSA-N 1 0 313.195 2.468 10 0 DEAERO CO[C@H](CNC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000140441976 186026962 /nfs/dbraw/zinc/02/69/62/186026962.db2.gz MAXAYZKCCGDHTA-QGZVFWFLSA-N 1 0 317.433 2.254 10 0 DEAERO [NH3+][C@H]1C=C[C@H](c2nc(-c3ccc(Br)cn3)no2)C1 ZINC000139800906 186023568 /nfs/dbraw/zinc/02/35/68/186023568.db2.gz LAORIQLYJMVNCE-CBAPKCEASA-N 1 0 307.151 2.265 10 0 DEAERO CCC[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)c3ccccc32)C1 ZINC000147875528 186041985 /nfs/dbraw/zinc/04/19/85/186041985.db2.gz OHOXMUGKZCCHMM-XJKSGUPXSA-N 1 0 309.431 2.238 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)NCCCCC(C)C)cn1C ZINC000147918142 186042377 /nfs/dbraw/zinc/04/23/77/186042377.db2.gz PTJZZNVCBJDSIM-UHFFFAOYSA-N 1 0 315.483 2.239 10 0 DEAERO C[C@@H]1OCC[C@@]1(C[NH3+])N(C)Cc1cc(Br)cs1 ZINC000147972084 186042645 /nfs/dbraw/zinc/04/26/45/186042645.db2.gz UTTIFXDQYJSVGI-CABZTGNLSA-N 1 0 319.268 2.449 10 0 DEAERO CCc1cc(Br)ccc1NC(=O)[C@@H]([NH3+])CCOC ZINC000148156619 186043354 /nfs/dbraw/zinc/04/33/54/186043354.db2.gz KENRBLPZFDIVJL-NSHDSACASA-N 1 0 315.211 2.314 10 0 DEAERO C[C@@H]1OCC[C@@]12C[NH+]=C(N)N2c1ccc(Br)cc1 ZINC000148449373 186044284 /nfs/dbraw/zinc/04/42/84/186044284.db2.gz FFIUWWMLFVRFBX-TVQRCGJNSA-N 1 0 310.195 2.131 10 0 DEAERO Cc1ccc([C@H]2NCC(=O)N2[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000143962752 186033920 /nfs/dbraw/zinc/03/39/20/186033920.db2.gz CCMQFIGKVRXNBI-CJNGLKHVSA-N 1 0 309.479 2.463 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(-n4cccc4)c(F)c3)C[C@H]12 ZINC000248653400 539774777 /nfs/dbraw/zinc/77/47/77/539774777.db2.gz VNIFWVUXNFTRGZ-OFQRWUPVSA-N 1 0 313.376 2.426 10 0 DEAERO CC[C@@H]1N[C@H](c2cccs2)N(CC[NH+]2CCCCC2)C1=O ZINC000144061749 186035209 /nfs/dbraw/zinc/03/52/09/186035209.db2.gz OGCCOTZBVCQHBH-ZFWWWQNUSA-N 1 0 307.463 2.443 10 0 DEAERO C[C@H](CN1C(=O)C2(CCCC2)N[C@@H]1c1cccs1)[NH+](C)C ZINC000144942384 186035936 /nfs/dbraw/zinc/03/59/36/186035936.db2.gz NFQQEWGKFRKAOH-OCCSQVGLSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@@H](CN1C(=O)C2(CCCC2)N[C@H]1c1ccsc1)[NH+](C)C ZINC000144941191 186035972 /nfs/dbraw/zinc/03/59/72/186035972.db2.gz FRLYSJCAYDKHBR-GXTWGEPZSA-N 1 0 307.463 2.441 10 0 DEAERO CC[NH+]1CCC(CN2C(=O)CN[C@H]2c2ccc(C)s2)CC1 ZINC000145509739 186037449 /nfs/dbraw/zinc/03/74/49/186037449.db2.gz CSOIRVKDHABJNI-MRXNPFEDSA-N 1 0 307.463 2.219 10 0 DEAERO Cc1ccc([C@@H]2NCC(=O)N2C[C@@H](C)[NH+]2CCCCC2)s1 ZINC000145700056 186038004 /nfs/dbraw/zinc/03/80/04/186038004.db2.gz OYPVRGSOEGRIGV-MLGOLLRUSA-N 1 0 307.463 2.361 10 0 DEAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000145767548 186038160 /nfs/dbraw/zinc/03/81/60/186038160.db2.gz BWFHYGSOBUCUDR-FUHWJXTLSA-N 1 0 319.493 2.338 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000149409837 186049696 /nfs/dbraw/zinc/04/96/96/186049696.db2.gz AZBBNMJLIKZJKT-ZDUSSCGKSA-N 1 0 309.841 2.364 10 0 DEAERO CC[NH2+][C@H](c1cccc2ncccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000150107902 186054410 /nfs/dbraw/zinc/05/44/10/186054410.db2.gz JUDSGTZVLIVTSN-WBMJQRKESA-N 1 0 304.415 2.320 10 0 DEAERO COc1cc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc(OC)c1C ZINC000155660850 186100331 /nfs/dbraw/zinc/10/03/31/186100331.db2.gz QIYOIQMQLCTZIM-VXGBXAGGSA-N 1 0 306.406 2.177 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000155693519 186103956 /nfs/dbraw/zinc/10/39/56/186103956.db2.gz QRJROVSZPZTPIW-MBNYWOFBSA-N 1 0 322.836 2.442 10 0 DEAERO COc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1OC ZINC000155754082 186109360 /nfs/dbraw/zinc/10/93/60/186109360.db2.gz NBPWZRCCHDIANW-JSGCOSHPSA-N 1 0 306.406 2.162 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cc(C)ccc2Br)C1 ZINC000163970354 186144227 /nfs/dbraw/zinc/14/42/27/186144227.db2.gz KRJXDMHAABPPSA-CABZTGNLSA-N 1 0 313.195 2.073 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)NC2CC(C)C2)ccc1F ZINC000163999605 186145646 /nfs/dbraw/zinc/14/56/46/186145646.db2.gz WNGODUJVZZWKLO-UHFFFAOYSA-N 1 0 300.399 2.012 10 0 DEAERO CC[NH2+]Cc1ccc(F)c(S(=O)(=O)NC2CC(C)C2)c1 ZINC000164007054 186146020 /nfs/dbraw/zinc/14/60/20/186146020.db2.gz WEUNAKMKJAHYSB-UHFFFAOYSA-N 1 0 300.399 2.012 10 0 DEAERO CC(C(=O)Nc1cc(Cl)ccc1-n1cccn1)=C1C[NH2+]C1 ZINC000164121259 186149140 /nfs/dbraw/zinc/14/91/40/186149140.db2.gz DJDVJUIFOCYDPC-UHFFFAOYSA-N 1 0 302.765 2.384 10 0 DEAERO CC(C(=O)Nc1cccc(Cl)c1-n1ccnc1)=C1C[NH2+]C1 ZINC000163932414 186142817 /nfs/dbraw/zinc/14/28/17/186142817.db2.gz NQUJHOCECSFELB-UHFFFAOYSA-N 1 0 302.765 2.384 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171510321 186170975 /nfs/dbraw/zinc/17/09/75/186170975.db2.gz PLARXMAUTUFGQU-HUUCEWRRSA-N 1 0 320.437 2.034 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(CCO)CCOC ZINC000164210034 186152063 /nfs/dbraw/zinc/15/20/63/186152063.db2.gz RXUHCRAPFHKUNE-GWCFXTLKSA-N 1 0 306.859 2.121 10 0 DEAERO CC(C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)=C1C[NH2+]C1 ZINC000164278723 186154484 /nfs/dbraw/zinc/15/44/84/186154484.db2.gz KBGRUABKKZKRRK-OAHLLOKOSA-N 1 0 306.793 2.160 10 0 DEAERO Cn1ncc(Br)c1C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000164288755 186155202 /nfs/dbraw/zinc/15/52/02/186155202.db2.gz IZMBONLLTMFMLG-LLVKDONJSA-N 1 0 320.190 2.252 10 0 DEAERO COc1ccc(Br)cc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000164456660 186159352 /nfs/dbraw/zinc/15/93/52/186159352.db2.gz FXTMWOPBYCZQTR-MRVPVSSYSA-N 1 0 313.195 2.252 10 0 DEAERO Cc1cc(N2CC[C@H]([N@@H+]3CCCc4ccccc4C3)C2=O)n(C)n1 ZINC000173349537 186179815 /nfs/dbraw/zinc/17/98/15/186179815.db2.gz VBJNSVGYNHDSHF-KRWDZBQOSA-N 1 0 324.428 2.282 10 0 DEAERO C[C@@H]1CCN(C(=O)N[C@H]2CCCC23CCOCC3)[C@@H](C[NH3+])C1 ZINC000333842590 282980487 /nfs/dbraw/zinc/98/04/87/282980487.db2.gz VLHJGVSPFYRUTB-KFWWJZLASA-N 1 0 309.454 2.105 10 0 DEAERO CCCc1cc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)n(C)n1 ZINC000179693445 186206700 /nfs/dbraw/zinc/20/67/00/186206700.db2.gz VAOVCDMSZUPNGP-GXTWGEPZSA-N 1 0 307.442 2.223 10 0 DEAERO Cn1nccc1CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000253396862 186305410 /nfs/dbraw/zinc/30/54/10/186305410.db2.gz QNDOALFOJLQTDL-XJKSGUPXSA-N 1 0 307.344 2.049 10 0 DEAERO CC(C)(C)c1nnc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000171891159 198002128 /nfs/dbraw/zinc/00/21/28/198002128.db2.gz QQFZZEVHZLIVGJ-JTQLQIEISA-N 1 0 309.439 2.148 10 0 DEAERO Cc1cc(C)cc(OCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171904108 198005092 /nfs/dbraw/zinc/00/50/92/198005092.db2.gz QQADZJNHEAULOY-INIZCTEOSA-N 1 0 317.433 2.172 10 0 DEAERO CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)C12CCC2 ZINC000333876602 282984008 /nfs/dbraw/zinc/98/40/08/282984008.db2.gz VNOMDKWFKSILCH-MGPQQGTHSA-N 1 0 304.438 2.264 10 0 DEAERO CS[C@@H](C(=O)NCCCC[NH+]1CCOCC1)c1ccccc1 ZINC000172514285 198108052 /nfs/dbraw/zinc/10/80/52/198108052.db2.gz LRAQOJGYFXKFLT-MRXNPFEDSA-N 1 0 322.474 2.319 10 0 DEAERO CCN(C(=O)c1nscc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000617562608 363188867 /nfs/dbraw/zinc/18/88/67/363188867.db2.gz RCBFRPYMEXQEBS-MRVPVSSYSA-N 1 0 318.240 2.072 10 0 DEAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C[C@H]1C ZINC000328920693 539912020 /nfs/dbraw/zinc/91/20/20/539912020.db2.gz BCYHFDKYSOLNBU-CVXDVXMKSA-N 1 0 304.438 2.106 10 0 DEAERO CCOC[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000072838892 191237271 /nfs/dbraw/zinc/23/72/71/191237271.db2.gz JXXVLOJSHNLBEB-MSOLQXFVSA-N 1 0 318.461 2.434 10 0 DEAERO Fc1ccc(-c2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)nc1 ZINC000329636157 539925225 /nfs/dbraw/zinc/92/52/25/539925225.db2.gz YCNFTVWFLDNFPR-YPMHNXCESA-N 1 0 304.325 2.197 10 0 DEAERO Cc1nc(C2CC2)oc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000329728268 539927840 /nfs/dbraw/zinc/92/78/40/539927840.db2.gz PACHSWAWUWLHJI-NEPJUHHUSA-N 1 0 316.361 2.446 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccccc2F)CC[N@@H+]1C ZINC000173269538 198204726 /nfs/dbraw/zinc/20/47/26/198204726.db2.gz KQVGHWDQZCBYKL-JSGCOSHPSA-N 1 0 314.426 2.070 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000333232561 539952221 /nfs/dbraw/zinc/95/22/21/539952221.db2.gz CIGPSTMZOSPTSK-JUDXGUMMSA-N 1 0 308.809 2.142 10 0 DEAERO C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333225330 539952282 /nfs/dbraw/zinc/95/22/82/539952282.db2.gz AXCNCKYHPXLQQN-HUUCEWRRSA-N 1 0 309.454 2.119 10 0 DEAERO COC1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCC1 ZINC000333284413 539954895 /nfs/dbraw/zinc/95/48/95/539954895.db2.gz YNUVNGWGAICIDD-GOOCMWNKSA-N 1 0 309.454 2.260 10 0 DEAERO CC(C)(C)c1nnc2ccc(N3CCC[C@]4(CC[NH2+]C4)C3)nn21 ZINC000333143569 539949337 /nfs/dbraw/zinc/94/93/37/539949337.db2.gz CRSYCRBGMFNHNO-QGZVFWFLSA-N 1 0 314.437 2.002 10 0 DEAERO CCS(=O)(=O)N(C)CCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000182053221 199380471 /nfs/dbraw/zinc/38/04/71/199380471.db2.gz MCDFDENJPPFVIS-HNNXBMFYSA-N 1 0 312.479 2.126 10 0 DEAERO Cc1cccc([C@@H](C)[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000173673531 198239150 /nfs/dbraw/zinc/23/91/50/198239150.db2.gz NMZZDDGSQCLUQP-OAHLLOKOSA-N 1 0 322.416 2.316 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCO[C@@H](C3CCCCC3)C2)C1 ZINC000333651069 539966986 /nfs/dbraw/zinc/96/69/86/539966986.db2.gz JUAAJUYSMJYMGE-OWCLPIDISA-N 1 0 309.454 2.247 10 0 DEAERO CCOc1cc(C)nc(N2CC[NH+](CCCSC)CC2)n1 ZINC000173688185 198240645 /nfs/dbraw/zinc/24/06/45/198240645.db2.gz RVICDRLHLYKWGS-UHFFFAOYSA-N 1 0 310.467 2.059 10 0 DEAERO C[C@@]1(CNC(=O)N[C@H]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000333746334 539970782 /nfs/dbraw/zinc/97/07/82/539970782.db2.gz JLSKAMPZJAEQSQ-FUHWJXTLSA-N 1 0 301.434 2.233 10 0 DEAERO COC[C@@H](C)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173706803 198242864 /nfs/dbraw/zinc/24/28/64/198242864.db2.gz KLZRBAPXVUGWEI-WBVHZDCISA-N 1 0 304.434 2.392 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000174076625 198288488 /nfs/dbraw/zinc/28/84/88/198288488.db2.gz KAKJIAVWVZUKMH-HNNXBMFYSA-N 1 0 312.841 2.107 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(CCCOc2ccc(C)c(C)c2)CC1 ZINC000174094665 198291253 /nfs/dbraw/zinc/29/12/53/198291253.db2.gz ZYRTXTUOHPAQTM-SFHVURJKSA-N 1 0 320.477 2.461 10 0 DEAERO Cc1ccccc1OCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174204457 198305237 /nfs/dbraw/zinc/30/52/37/198305237.db2.gz MHCIZNFRGCMXOI-INIZCTEOSA-N 1 0 315.417 2.030 10 0 DEAERO COC(=O)c1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000174188751 198303215 /nfs/dbraw/zinc/30/32/15/198303215.db2.gz UBDRWRDKGDXZQG-MQVJKMGUSA-N 1 0 316.401 2.218 10 0 DEAERO CC[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)CC[N@@H+]1C[C@@H](C)O ZINC000174629694 198361642 /nfs/dbraw/zinc/36/16/42/198361642.db2.gz OFMIMWPRFKJDOC-CZUORRHYSA-N 1 0 315.417 2.085 10 0 DEAERO CCOC[C@H]1CCCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000073203345 191291706 /nfs/dbraw/zinc/29/17/06/191291706.db2.gz ALICMFHHAIKYAD-HOTGVXAUSA-N 1 0 313.486 2.421 10 0 DEAERO CN1CCC[C@H](C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1=O ZINC000333969517 283001373 /nfs/dbraw/zinc/00/13/73/283001373.db2.gz UTNVGFDXXHUMJU-HZPDHXFCSA-N 1 0 315.417 2.042 10 0 DEAERO CCCOc1ccc(CC(=O)N2CC[NH2+]CC2)cc1OCCC ZINC000236793785 202011843 /nfs/dbraw/zinc/01/18/43/202011843.db2.gz YZVIYQRBEPHKDI-UHFFFAOYSA-N 1 0 320.433 2.239 10 0 DEAERO CN(CC1C[NH+](C)C1)C(=O)c1cscc1Br ZINC000618190145 363408471 /nfs/dbraw/zinc/40/84/71/363408471.db2.gz ISULIWUCYDSEAB-UHFFFAOYSA-N 1 0 303.225 2.144 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@H]1CCO ZINC000070950226 354892441 /nfs/dbraw/zinc/89/24/41/354892441.db2.gz LWEOOCFULVHZEM-KRWDZBQOSA-N 1 0 304.434 2.272 10 0 DEAERO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000358597029 540097126 /nfs/dbraw/zinc/09/71/26/540097126.db2.gz MOEPTFSLDHWROC-WMLDXEAASA-N 1 0 313.486 2.347 10 0 DEAERO O=C(Nc1ccccc1OCc1ccccc1)[C@H]1C[NH2+]CCO1 ZINC000390776987 540134522 /nfs/dbraw/zinc/13/45/22/540134522.db2.gz NXGNLVMXIAHUJI-QGZVFWFLSA-N 1 0 312.369 2.193 10 0 DEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]2CCCO2)o1 ZINC000079620058 355322268 /nfs/dbraw/zinc/32/22/68/355322268.db2.gz OUMGWUZITRMJJB-GOEBONIOSA-N 1 0 323.437 2.229 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080717907 355383064 /nfs/dbraw/zinc/38/30/64/355383064.db2.gz YPXWJIJDZIIDHS-GVZPALNKSA-N 1 0 318.465 2.272 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([S@](C)=O)cc1 ZINC000080127881 355348187 /nfs/dbraw/zinc/34/81/87/355348187.db2.gz XAUMTIOJEMULBY-MCMMXHMISA-N 1 0 323.462 2.420 10 0 DEAERO CSc1ccc(OCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000075620686 191503496 /nfs/dbraw/zinc/50/34/96/191503496.db2.gz RZTRGCZFRIIHIX-OAHLLOKOSA-N 1 0 308.447 2.340 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000401734603 540142140 /nfs/dbraw/zinc/14/21/40/540142140.db2.gz XDBBRGCICHCLKW-MRVPVSSYSA-N 1 0 300.202 2.325 10 0 DEAERO c1nc2ncnc(N3CCC[C@@H]([NH+]4CCCCCC4)C3)c2[nH]1 ZINC000091482547 355599338 /nfs/dbraw/zinc/59/93/38/355599338.db2.gz ZGFJFSGLTNEUQD-CYBMUJFWSA-N 1 0 300.410 2.198 10 0 DEAERO CC1(CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)COC1 ZINC000112720306 355755177 /nfs/dbraw/zinc/75/51/77/355755177.db2.gz JTFZIBDAEWKTTP-INIZCTEOSA-N 1 0 323.481 2.367 10 0 DEAERO CCc1nc(CNC(=O)NC2CC[NH+](C3CC3)CC2)cs1 ZINC000107728104 355728912 /nfs/dbraw/zinc/72/89/12/355728912.db2.gz OGMKJSRPXBYWAO-UHFFFAOYSA-N 1 0 308.451 2.132 10 0 DEAERO NC1=[NH+][C@](CF)(c2cc(Br)ccc2F)COC1 ZINC000145397198 355906144 /nfs/dbraw/zinc/90/61/44/355906144.db2.gz FPKWJVUFMJQHHX-NSHDSACASA-N 1 0 305.122 2.140 10 0 DEAERO CCCNC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000169317321 355978874 /nfs/dbraw/zinc/97/88/74/355978874.db2.gz WNRHOEKBKOZPEW-AWEZNQCLSA-N 1 0 323.437 2.346 10 0 DEAERO CC[C@@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1nccs1 ZINC000162716106 355972415 /nfs/dbraw/zinc/97/24/15/355972415.db2.gz HDJHTMBCSSVHKC-CYBMUJFWSA-N 1 0 308.451 2.331 10 0 DEAERO C[C@@H](Cc1ccccc1)C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000182027748 356105661 /nfs/dbraw/zinc/10/56/61/356105661.db2.gz SAKZYEDUQGIKJD-WMZOPIPTSA-N 1 0 316.445 2.188 10 0 DEAERO CN(Cc1cn(Cc2cccnc2)nn1)Cc1ccc(F)cc1 ZINC000182953211 356153296 /nfs/dbraw/zinc/15/32/96/356153296.db2.gz CXAYVROFJTXBKK-UHFFFAOYSA-N 1 0 311.364 2.493 10 0 DEAERO CC(C)(C)CS(=O)(=O)N1CCC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000080193991 192011100 /nfs/dbraw/zinc/01/11/00/192011100.db2.gz UMBDEVNNNCZQFU-ZDUSSCGKSA-N 1 0 304.500 2.462 10 0 DEAERO Cc1csc([C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C2CC2)n1 ZINC000183511350 356174806 /nfs/dbraw/zinc/17/48/06/356174806.db2.gz VPHXFLADSVUHSP-CABZTGNLSA-N 1 0 302.465 2.173 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000188111465 356214273 /nfs/dbraw/zinc/21/42/73/356214273.db2.gz YHHULYFOYADUIO-CABCVRRESA-N 1 0 322.449 2.402 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)c(C)s1 ZINC000226465193 356278622 /nfs/dbraw/zinc/27/86/22/356278622.db2.gz MJACAQWSXGZREH-LBPRGKRZSA-N 1 0 302.465 2.128 10 0 DEAERO CCOCC[N@@H+]1CCN(CCCC(=O)OC(C)(C)C)C[C@H]1C ZINC000248461963 356322390 /nfs/dbraw/zinc/32/23/90/356322390.db2.gz PMMAXOCWRYZCEN-OAHLLOKOSA-N 1 0 314.470 2.151 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)COCc1ccco1)[C@H]1COc2ccccc21 ZINC000248553333 356322962 /nfs/dbraw/zinc/32/29/62/356322962.db2.gz AMZNLOBUVUONOH-JJRVBVJISA-N 1 0 317.385 2.311 10 0 DEAERO NC1=[NH+]C[C@H](c2ccc(Br)c(Br)c2)N1 ZINC000236264947 356289481 /nfs/dbraw/zinc/28/94/81/356289481.db2.gz QXJMRQOCMUMCDT-MRVPVSSYSA-N 1 0 319.000 2.171 10 0 DEAERO C[C@@H]([NH3+])c1csc(NC(=O)[C@@H]2COc3ccccc3C2)n1 ZINC000080863588 192196690 /nfs/dbraw/zinc/19/66/90/192196690.db2.gz ILSDDOAGKCXOEN-KOLCDFICSA-N 1 0 303.387 2.353 10 0 DEAERO CC[C@]1(C)CSC(NCc2ccc(S(C)(=O)=O)cc2)=[NH+]1 ZINC000080884209 192198229 /nfs/dbraw/zinc/19/82/29/192198229.db2.gz JQKDFINKORPEDK-CQSZACIVSA-N 1 0 312.460 2.451 10 0 DEAERO CC[C@@](C)(CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000080897616 192199339 /nfs/dbraw/zinc/19/93/39/192199339.db2.gz HWLLOGBUKFYSMO-YGRLFVJLSA-N 1 0 322.232 2.484 10 0 DEAERO CC[C@](C)(CO)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000080897513 192199841 /nfs/dbraw/zinc/19/98/41/192199841.db2.gz SYDPSWJTCXJEMO-CYBMUJFWSA-N 1 0 315.211 2.138 10 0 DEAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000080917123 192201668 /nfs/dbraw/zinc/20/16/68/192201668.db2.gz DPMSSIPEDPRGQN-VFZGTOFNSA-N 1 0 309.797 2.285 10 0 DEAERO [NH3+][C@H](CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1)C1CC1 ZINC000261968354 356340277 /nfs/dbraw/zinc/34/02/77/356340277.db2.gz TYRIGKSKZBMGFJ-CQSZACIVSA-N 1 0 312.373 2.081 10 0 DEAERO COC[C@@H]1CCN([C@@H](C[NH3+])c2ccccc2OC(F)F)C1 ZINC000081049453 192218617 /nfs/dbraw/zinc/21/86/17/192218617.db2.gz RVFSKRPKQKHZGU-YPMHNXCESA-N 1 0 300.349 2.256 10 0 DEAERO C[C@H]([NH2+]CCCCCO)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400710041 283158607 /nfs/dbraw/zinc/15/86/07/283158607.db2.gz DMNRRGONQLLFCD-KBPBESRZSA-N 1 0 300.443 2.384 10 0 DEAERO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400751934 283158612 /nfs/dbraw/zinc/15/86/12/283158612.db2.gz VTSHWVLJVUSIFI-OGHNNQOOSA-N 1 0 312.454 2.383 10 0 DEAERO C[NH2+]Cc1cc(Br)cnc1N1CC[C@@H](COC)C1 ZINC000081117391 192228762 /nfs/dbraw/zinc/22/87/62/192228762.db2.gz WLLDXNNGPDFRAK-SNVBAGLBSA-N 1 0 314.227 2.036 10 0 DEAERO CC(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248626257 535302830 /nfs/dbraw/zinc/30/28/30/535302830.db2.gz OCIWVUGEKBDIQV-LSDHHAIUSA-N 1 0 315.454 2.216 10 0 DEAERO C[C@@H]1CC[C@@]([NH3+])(c2ncncc2I)C1 ZINC000306153623 356402593 /nfs/dbraw/zinc/40/25/93/356402593.db2.gz BAMRFPVGNRERRF-XCBNKYQSSA-N 1 0 303.147 2.055 10 0 DEAERO COCC[N@@H+]1CC[C@H]2[C@@H](C1)C2(Br)Br ZINC000306230596 356403524 /nfs/dbraw/zinc/40/35/24/356403524.db2.gz ZUAXNGMQBZEEFF-JGVFFNPUSA-N 1 0 313.033 2.071 10 0 DEAERO [NH3+]Cc1csc(-c2ncc(I)s2)n1 ZINC000306590355 356404615 /nfs/dbraw/zinc/40/46/15/356404615.db2.gz AEDUGNVEPJEGPF-UHFFFAOYSA-N 1 0 323.184 2.330 10 0 DEAERO [NH3+][C@H](CN1C(=O)c2ccccc2C1=O)c1cc(F)ccc1F ZINC000307392946 356408687 /nfs/dbraw/zinc/40/86/87/356408687.db2.gz AWTSRBSCBOHRBG-CQSZACIVSA-N 1 0 302.280 2.261 10 0 DEAERO OCc1cn([C@@H]2CCCC[C@@H]2[NH2+]C2Cc3ccccc3C2)nn1 ZINC000328606420 356459930 /nfs/dbraw/zinc/45/99/30/356459930.db2.gz RMPVLGYLFWVPNO-ZWKOTPCHSA-N 1 0 312.417 2.011 10 0 DEAERO O[C@@H](C[NH2+]CCCN1CCOCC1)c1ccc2ccccc2c1 ZINC000320964921 356448232 /nfs/dbraw/zinc/44/82/32/356448232.db2.gz JKINJOBLAKWTSK-IBGZPJMESA-N 1 0 314.429 2.185 10 0 DEAERO CC(C)c1nc(=N[C@@H]2CCO[C@@H](c3cncn3C)C2)s[n-]1 ZINC000328641815 356466109 /nfs/dbraw/zinc/46/61/09/356466109.db2.gz YAJMNTVEGNVTIS-ZYHUDNBSSA-N 1 0 307.423 2.149 10 0 DEAERO CCc1ccc(C(=O)N2CCO[C@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000328651462 356466432 /nfs/dbraw/zinc/46/64/32/356466432.db2.gz VXQKIISTBQXZLI-OAHLLOKOSA-N 1 0 306.406 2.025 10 0 DEAERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000332678918 356467255 /nfs/dbraw/zinc/46/72/55/356467255.db2.gz FPJHLGRZEVHXLX-ILXVDBEPSA-N 1 0 317.433 2.291 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000536036061 540241070 /nfs/dbraw/zinc/24/10/70/540241070.db2.gz PZANPNWSEXRRQF-IRXDYDNUSA-N 1 0 301.434 2.164 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCn2cnnc2C1 ZINC000081531067 192285146 /nfs/dbraw/zinc/28/51/46/192285146.db2.gz MGZYNJPYAMJEJU-ZANVPECISA-N 1 0 311.842 2.287 10 0 DEAERO CCC[NH2+]CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000236843149 202033548 /nfs/dbraw/zinc/03/35/48/202033548.db2.gz HPJCOHPYNFKIIF-SWLSCSKDSA-N 1 0 303.406 2.011 10 0 DEAERO CCC(=O)c1ccc(OCCCCC(=O)N2CC[NH2+]CC2)cc1 ZINC000236835101 202031446 /nfs/dbraw/zinc/03/14/46/202031446.db2.gz JTCSVNPHKQDUBP-UHFFFAOYSA-N 1 0 318.417 2.260 10 0 DEAERO CC(C)C[C@H]1CN(CCCS(C)(=O)=O)C2(CCCC2)C[NH2+]1 ZINC000085488901 192513423 /nfs/dbraw/zinc/51/34/23/192513423.db2.gz FGBMOPLAIQWGDL-HNNXBMFYSA-N 1 0 316.511 2.054 10 0 DEAERO CCC[C@H]([NH3+])C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000236961832 202094639 /nfs/dbraw/zinc/09/46/39/202094639.db2.gz ZXHCJVJGAKFSGX-LBPRGKRZSA-N 1 0 307.785 2.046 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000236990791 202110948 /nfs/dbraw/zinc/11/09/48/202110948.db2.gz URAGUVNMUKQMCX-NHYWBVRUSA-N 1 0 323.462 2.179 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(I)cc1 ZINC000382201767 356674646 /nfs/dbraw/zinc/67/46/46/356674646.db2.gz FGFPNZAFRMAXDZ-GGZOMVNGSA-N 1 0 317.170 2.465 10 0 DEAERO C[C@H]([NH2+]CCn1cncn1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386171511 356694005 /nfs/dbraw/zinc/69/40/05/356694005.db2.gz WNQNDUDRCMHRCB-KBPBESRZSA-N 1 0 323.441 2.046 10 0 DEAERO Brc1cccc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404040297 356730705 /nfs/dbraw/zinc/73/07/05/356730705.db2.gz AUGHSUDASURWLE-KGLIPLIRSA-N 1 0 311.223 2.012 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)[C@H](C)OC)CC(C)C ZINC000578289077 356790298 /nfs/dbraw/zinc/79/02/98/356790298.db2.gz BJIQMEBHDWUFKN-QLFBSQMISA-N 1 0 301.475 2.466 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC000578547149 356835412 /nfs/dbraw/zinc/83/54/12/356835412.db2.gz WSRHJIYXTKUNPB-AWEZNQCLSA-N 1 0 314.429 2.158 10 0 DEAERO CCOCC[C@@H](O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000578875895 356885509 /nfs/dbraw/zinc/88/55/09/356885509.db2.gz BYHPZAKIBIHVHM-HUUCEWRRSA-N 1 0 315.454 2.218 10 0 DEAERO CC[NH2+]CCCOc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000088917145 192655998 /nfs/dbraw/zinc/65/59/98/192655998.db2.gz NGDBVTHAIAWCJW-UHFFFAOYSA-N 1 0 314.451 2.094 10 0 DEAERO C/C=C\c1ccc(OCC(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(OC)c1 ZINC000581661614 357225826 /nfs/dbraw/zinc/22/58/26/357225826.db2.gz CHMWUYQNSBAHPZ-DTJRNEMCSA-N 1 0 318.417 2.303 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@H]2CC)cs1 ZINC000088972954 192675620 /nfs/dbraw/zinc/67/56/20/192675620.db2.gz PQNHFUBLRGQVPT-LLVKDONJSA-N 1 0 302.465 2.421 10 0 DEAERO CC[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N(C)[C@H](C)C1CC1 ZINC000088962536 192671526 /nfs/dbraw/zinc/67/15/26/192671526.db2.gz LFCOQLRYQKEESF-SNVBAGLBSA-N 1 0 314.451 2.425 10 0 DEAERO Cc1sc(C[NH2+]C2CC2)cc1S(=O)(=O)N1CC[C@H](C)C1 ZINC000088986401 192682404 /nfs/dbraw/zinc/68/24/04/192682404.db2.gz SUQUNJCCNYLQMD-JTQLQIEISA-N 1 0 314.476 2.339 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1c(C)cc(C)nc1OC ZINC000589583909 357480458 /nfs/dbraw/zinc/48/04/58/357480458.db2.gz WKUREANUYORABB-HNNXBMFYSA-N 1 0 305.422 2.198 10 0 DEAERO CC(C)[C@H](O)CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178868397 198944110 /nfs/dbraw/zinc/94/41/10/198944110.db2.gz BLXKSIIJIVYOHF-QGZVFWFLSA-N 1 0 304.434 2.306 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1cccc(OCc2ccccn2)c1 ZINC000179063690 198976706 /nfs/dbraw/zinc/97/67/06/198976706.db2.gz VXWHMQCNBFTJJX-CXAGYDPISA-N 1 0 311.385 2.200 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2O)[C@@H]1c1ccccc1 ZINC000179223461 199001610 /nfs/dbraw/zinc/00/16/10/199001610.db2.gz IRLIQGDVYKHYPY-APWZRJJASA-N 1 0 310.397 2.496 10 0 DEAERO CCOCCN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179468744 199041399 /nfs/dbraw/zinc/04/13/99/199041399.db2.gz UXMFISPHGFOXOS-IAGOWNOFSA-N 1 0 319.449 2.500 10 0 DEAERO COC(=O)c1cncc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000179561173 199054982 /nfs/dbraw/zinc/05/49/82/199054982.db2.gz IEQQPHZJFBKUCB-HNNXBMFYSA-N 1 0 319.405 2.317 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H](O)c1cccc(F)c1 ZINC000180086642 199115607 /nfs/dbraw/zinc/11/56/07/199115607.db2.gz SMYBUTMEQRCDPN-ZACQAIPSSA-N 1 0 320.408 2.334 10 0 DEAERO Cc1noc(C)c1CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180111337 199118231 /nfs/dbraw/zinc/11/82/31/199118231.db2.gz URMFXSZWTSTRJL-SJLPKXTDSA-N 1 0 313.401 2.396 10 0 DEAERO CN(c1cccnn1)C1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000180080063 199114526 /nfs/dbraw/zinc/11/45/26/199114526.db2.gz RYWPUGRXKYWGGK-UHFFFAOYSA-N 1 0 322.416 2.225 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cnn(Cc2ccccc2)c1 ZINC000180580949 199179849 /nfs/dbraw/zinc/17/98/49/199179849.db2.gz OPILHUJNVBVQDW-RHSMWYFYSA-N 1 0 322.416 2.189 10 0 DEAERO C[C@H](c1cnn(C)c1)N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000180839895 199216052 /nfs/dbraw/zinc/21/60/52/199216052.db2.gz XTSJKHIIFAUQEE-VQCLRJIVSA-N 1 0 321.469 2.243 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc(=O)[nH]1 ZINC000180888730 199223992 /nfs/dbraw/zinc/22/39/92/199223992.db2.gz IYWQTAGYMLRPBH-NVXWUHKLSA-N 1 0 311.385 2.271 10 0 DEAERO C/C(=C\c1ccccc1)CN(C)C(=O)NCCOCCC[NH3+] ZINC000627217520 366483275 /nfs/dbraw/zinc/48/32/75/366483275.db2.gz OWZPTDYLLIHIRA-FYWRMAATSA-N 1 0 305.422 2.097 10 0 DEAERO CCOC(=O)[C@@H](CC(C)C)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000248449992 535443504 /nfs/dbraw/zinc/44/35/04/535443504.db2.gz XUMGXGFYVMLGGP-JKSUJKDBSA-N 1 0 314.470 2.007 10 0 DEAERO CCN(c1ccccc1F)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C ZINC000089021314 192700536 /nfs/dbraw/zinc/70/05/36/192700536.db2.gz XWYGVYUATWNVAX-LBPRGKRZSA-N 1 0 302.415 2.368 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)NCc2ccsc2)cc1C[NH3+] ZINC000089035571 192710755 /nfs/dbraw/zinc/71/07/55/192710755.db2.gz XZKJBTLSBAGAQM-UHFFFAOYSA-N 1 0 310.444 2.302 10 0 DEAERO CN([C@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)c1ccccc1Cl ZINC000089132176 192731780 /nfs/dbraw/zinc/73/17/80/192731780.db2.gz GOYRCONSMNTGDO-YPMHNXCESA-N 1 0 316.854 2.478 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1Cc1c(Br)c(C)nn1C ZINC000089234368 192747203 /nfs/dbraw/zinc/74/72/03/192747203.db2.gz HYDARASJNQQABK-LLVKDONJSA-N 1 0 315.259 2.065 10 0 DEAERO CCc1nn(C)c(Cn2nc(C)c(CC[NH2+]C)c2C)c1Cl ZINC000089333316 192768886 /nfs/dbraw/zinc/76/88/86/192768886.db2.gz FSGDXPXKXZSPOI-UHFFFAOYSA-N 1 0 309.845 2.259 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089532186 192811305 /nfs/dbraw/zinc/81/13/05/192811305.db2.gz KSZANDJQBBAMRC-GJZGRUSLSA-N 1 0 310.463 2.347 10 0 DEAERO C[N@H+](CC1(CO)CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000186766304 200005897 /nfs/dbraw/zinc/00/58/97/200005897.db2.gz ZQHWODAWYRZHJF-CQSZACIVSA-N 1 0 308.809 2.150 10 0 DEAERO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1nccs1 ZINC000187011216 200047188 /nfs/dbraw/zinc/04/71/88/200047188.db2.gz OHWJPBAWRLPPEP-UPJWGTAASA-N 1 0 310.467 2.371 10 0 DEAERO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(F)ccc2OC)C1 ZINC000187071781 200056932 /nfs/dbraw/zinc/05/69/32/200056932.db2.gz GASVNISHZAKLSB-ZDUSSCGKSA-N 1 0 323.412 2.365 10 0 DEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)CC2 ZINC000187772901 200154892 /nfs/dbraw/zinc/15/48/92/200154892.db2.gz JNDUOVUGJMCWEH-ZFWWWQNUSA-N 1 0 314.437 2.191 10 0 DEAERO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)C[C@@H]1CCCO1 ZINC000187834349 200163442 /nfs/dbraw/zinc/16/34/42/200163442.db2.gz FZWCJFGDIMIJOC-BBRMVZONSA-N 1 0 308.397 2.283 10 0 DEAERO OCc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188155683 200202219 /nfs/dbraw/zinc/20/22/19/200202219.db2.gz VCRSLABAVZWBGG-IRXDYDNUSA-N 1 0 303.427 2.448 10 0 DEAERO C[C@H]1OCCC[C@@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000188403900 200240700 /nfs/dbraw/zinc/24/07/00/200240700.db2.gz YAPHEQCVDAIMLK-QAPCUYQASA-N 1 0 316.445 2.366 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(Br)n2)C1 ZINC000188584890 200270416 /nfs/dbraw/zinc/27/04/16/200270416.db2.gz BRWIZHQZXDMXFX-VIFPVBQESA-N 1 0 313.199 2.012 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1ccc(-c2ncon2)cc1)C1CCCCC1 ZINC000237922507 202391308 /nfs/dbraw/zinc/39/13/08/202391308.db2.gz XQXPLNMESFONIU-HNNXBMFYSA-N 1 0 314.389 2.374 10 0 DEAERO O=C1[C@@H]([NH2+]C2CCSCC2)CCN1Cc1ccc(F)cc1 ZINC000189049950 200341723 /nfs/dbraw/zinc/34/17/23/200341723.db2.gz XBNHKVAIEIXTPB-HNNXBMFYSA-N 1 0 308.422 2.412 10 0 DEAERO CO[C@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)CC[C@@H]1C ZINC000189312163 200380136 /nfs/dbraw/zinc/38/01/36/200380136.db2.gz ABOGEKGVQZYEGK-YOEHRIQHSA-N 1 0 302.418 2.323 10 0 DEAERO CO[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2C)CC[C@H]1C ZINC000189322255 200382266 /nfs/dbraw/zinc/38/22/66/200382266.db2.gz TUFMOIJAPKHPSN-NVXWUHKLSA-N 1 0 304.434 2.310 10 0 DEAERO O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261946325 296023084 /nfs/dbraw/zinc/02/30/84/296023084.db2.gz VQASXRZNBSMCSO-ZJPYXAASSA-N 1 0 314.429 2.365 10 0 DEAERO c1nc2c(ncnc2NC2CC[NH+](CC3CC3)CC2)n1C1CC1 ZINC000292802769 223253106 /nfs/dbraw/zinc/25/31/06/223253106.db2.gz RJYFCTPQCJCZCV-UHFFFAOYSA-N 1 0 312.421 2.448 10 0 DEAERO CN(C)C(=O)C1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000193234197 201011114 /nfs/dbraw/zinc/01/11/14/201011114.db2.gz XHSDWDVILMEWJX-UHFFFAOYSA-N 1 0 316.445 2.354 10 0 DEAERO CC(C)S(=O)(=O)Cc1cccc(NC(=O)CC[C@@H](C)[NH3+])c1 ZINC000193250812 201013517 /nfs/dbraw/zinc/01/35/17/201013517.db2.gz TYXABYZLWRBJQN-GFCCVEGCSA-N 1 0 312.435 2.076 10 0 DEAERO COc1cc(C)c(S(=O)(=O)NCC[C@@H](C)[NH3+])cc1C(C)C ZINC000193253728 201014001 /nfs/dbraw/zinc/01/40/01/201014001.db2.gz QCMQXPCDAIVFKF-GFCCVEGCSA-N 1 0 314.451 2.143 10 0 DEAERO CSc1ccccc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000193271877 201018219 /nfs/dbraw/zinc/01/82/19/201018219.db2.gz GNDUWHZSVROANS-LBPRGKRZSA-N 1 0 314.476 2.077 10 0 DEAERO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)s1 ZINC000193600013 201084358 /nfs/dbraw/zinc/08/43/58/201084358.db2.gz MAOAXOPLDKHKMD-MUWHJKNJSA-N 1 0 307.341 2.085 10 0 DEAERO C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000471971394 291269533 /nfs/dbraw/zinc/26/95/33/291269533.db2.gz AHDFOSLNRZJTPH-KXNHARMFSA-N 1 0 307.360 2.451 10 0 DEAERO CC[NH+](CC)CCSCC(=O)NC[C@@H](C)c1ccncc1 ZINC000610526404 361416764 /nfs/dbraw/zinc/41/67/64/361416764.db2.gz MAASABOVSJCNOP-CQSZACIVSA-N 1 0 309.479 2.376 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nc3cccnc3s2)[C@H](C)C1 ZINC000193958943 201153667 /nfs/dbraw/zinc/15/36/67/201153667.db2.gz OJKZUSUIXHAICE-YPMHNXCESA-N 1 0 318.446 2.494 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000194149288 201186779 /nfs/dbraw/zinc/18/67/79/201186779.db2.gz CFCGREPIMFYEJT-INIZCTEOSA-N 1 0 317.433 2.349 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000194150616 201187419 /nfs/dbraw/zinc/18/74/19/201187419.db2.gz JSJKINLVWLXSRU-ZDUSSCGKSA-N 1 0 323.824 2.187 10 0 DEAERO COC(=O)C(C)(C)[C@H]([NH2+]CCc1cnn(C)c1)c1ccccc1 ZINC000611406467 361593952 /nfs/dbraw/zinc/59/39/52/361593952.db2.gz YMWOUFMBGYCRSH-MRXNPFEDSA-N 1 0 315.417 2.493 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000611311380 361577852 /nfs/dbraw/zinc/57/78/52/361577852.db2.gz MBYAKEMCVACQFM-CABCVRRESA-N 1 0 324.465 2.299 10 0 DEAERO CCCCOC[C@@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000195219100 201362180 /nfs/dbraw/zinc/36/21/80/201362180.db2.gz CHAGMDSPEMNHCZ-KRWDZBQOSA-N 1 0 307.434 2.148 10 0 DEAERO Cc1cc(CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)no1 ZINC000195297593 201375256 /nfs/dbraw/zinc/37/52/56/201375256.db2.gz NUCCGWWVBMUIBE-MRXNPFEDSA-N 1 0 300.406 2.332 10 0 DEAERO C[C@@H](C[NH2+]C[C@@H]1Cc2cc(Br)ccc2O1)N(C)C ZINC000090904433 192942677 /nfs/dbraw/zinc/94/26/77/192942677.db2.gz XFTVYTMCCWFZNJ-GWCFXTLKSA-N 1 0 313.239 2.292 10 0 DEAERO [NH3+]CC[C@@H](NC(=O)c1cscc1C(F)(F)F)C(F)F ZINC000621658882 364491853 /nfs/dbraw/zinc/49/18/53/364491853.db2.gz VHXSBTATDPPMSA-SSDOTTSWSA-N 1 0 302.268 2.479 10 0 DEAERO C[NH+](C)C1CC(NC(=O)c2cccc(Br)c2F)C1 ZINC000622008245 364633006 /nfs/dbraw/zinc/63/30/06/364633006.db2.gz FPCMPAGURWJKSB-UHFFFAOYSA-N 1 0 315.186 2.411 10 0 DEAERO Cn1cncc1[C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCO3)CCO1 ZINC000275399926 212310258 /nfs/dbraw/zinc/31/02/58/212310258.db2.gz CLEHTMPPIBJAKN-XJKSGUPXSA-N 1 0 315.373 2.159 10 0 DEAERO CO[C@@H]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449275463 240292362 /nfs/dbraw/zinc/29/23/62/240292362.db2.gz MPADVBWJVDGJHW-VHDGCEQUSA-N 1 0 311.447 2.351 10 0 DEAERO C(=C/c1ccccc1)\C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623652617 365117658 /nfs/dbraw/zinc/11/76/58/365117658.db2.gz LFACVIXKZCJXHG-IEXSPKMKSA-N 1 0 320.400 2.006 10 0 DEAERO CN1CCOC[C@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000623710421 365140580 /nfs/dbraw/zinc/14/05/80/365140580.db2.gz CDNIPLKGDUJPBY-GFCCVEGCSA-N 1 0 317.202 2.008 10 0 DEAERO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000623711652 365141850 /nfs/dbraw/zinc/14/18/50/365141850.db2.gz KUNAVQPICQIEGI-NSHDSACASA-N 1 0 317.202 2.008 10 0 DEAERO O=C(C[C@@H]1C[NH2+]CCO1)Nc1cc(Cl)cc2cccnc21 ZINC000091299704 193034023 /nfs/dbraw/zinc/03/40/23/193034023.db2.gz AJHIXBHDXCSKOL-GFCCVEGCSA-N 1 0 305.765 2.205 10 0 DEAERO CN(Cc1cccc(Cl)c1)[C@@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323353 193040616 /nfs/dbraw/zinc/04/06/16/193040616.db2.gz JTJAPCPDEDXLFU-OAHLLOKOSA-N 1 0 309.841 2.112 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000091331499 193041286 /nfs/dbraw/zinc/04/12/86/193041286.db2.gz MEXMMSCENLAOIK-NSHDSACASA-N 1 0 324.215 2.413 10 0 DEAERO CCNc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000091427519 193053897 /nfs/dbraw/zinc/05/38/97/193053897.db2.gz KXHFWWDQIFLAHH-GFCCVEGCSA-N 1 0 310.829 2.333 10 0 DEAERO c1nnc2ccc(N3CC[C@@H]([NH2+][C@H]4CCC45CCCC5)C3)nn12 ZINC000624116240 365294866 /nfs/dbraw/zinc/29/48/66/365294866.db2.gz LKURVGZSHWUNON-KGLIPLIRSA-N 1 0 312.421 2.015 10 0 DEAERO c1nnc2ccc(N3CC[C@H]([NH2+][C@@H]4CCCC45CCC5)C3)nn12 ZINC000624117812 365295639 /nfs/dbraw/zinc/29/56/39/365295639.db2.gz WPKBCBFNVDDNSX-UONOGXRCSA-N 1 0 312.421 2.015 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@@](C)(CC)N(CC)CC ZINC000091600812 193078396 /nfs/dbraw/zinc/07/83/96/193078396.db2.gz NFPNJAFULQAKOT-LSDHHAIUSA-N 1 0 306.516 2.300 10 0 DEAERO COc1ccc(Br)cc1C[C@H](O)C[NH2+]C(C)C ZINC000091467845 193060119 /nfs/dbraw/zinc/06/01/19/193060119.db2.gz TUSFCQORAITWQS-LBPRGKRZSA-N 1 0 302.212 2.359 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000091496296 193063913 /nfs/dbraw/zinc/06/39/13/193063913.db2.gz IBVNUDYFLQZSBS-PHDIDXHHSA-N 1 0 308.250 2.252 10 0 DEAERO Cc1nc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000091507057 193065894 /nfs/dbraw/zinc/06/58/94/193065894.db2.gz GHAFKSGSOQQCIF-JTQLQIEISA-N 1 0 324.222 2.481 10 0 DEAERO C[C@@](O)(C[NH3+])Cc1nc2cc(Br)ccc2n1C1CC1 ZINC000091503031 193066317 /nfs/dbraw/zinc/06/63/17/193066317.db2.gz ARCWGNGBPZGUMQ-AWEZNQCLSA-N 1 0 324.222 2.386 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccc1OC(F)F ZINC000091667763 193087773 /nfs/dbraw/zinc/08/77/73/193087773.db2.gz YQTQZUHQCYFOMT-NEPJUHHUSA-N 1 0 300.349 2.269 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+][C@@H]3CC[C@H]3C3CCC3)C2)ccn1 ZINC000624263583 365360961 /nfs/dbraw/zinc/36/09/61/365360961.db2.gz KQLAZONGGNAUBH-CEXWTWQISA-N 1 0 315.461 2.451 10 0 DEAERO C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)[C@@H]1CN(C)CCO1 ZINC000091717591 193096878 /nfs/dbraw/zinc/09/68/78/193096878.db2.gz GPYQVAQNJUNBKB-STQMWFEESA-N 1 0 304.312 2.176 10 0 DEAERO C[NH2+][C@H](Cc1c(Cl)cccc1Cl)[C@@H]1CN(C)CCO1 ZINC000091718123 193097264 /nfs/dbraw/zinc/09/72/64/193097264.db2.gz XSPRCMQXQHEUGF-KGLIPLIRSA-N 1 0 303.233 2.455 10 0 DEAERO C[NH2+][C@H](Cc1ccc(OC)c(Br)c1)CN(C)C ZINC000091719677 193097499 /nfs/dbraw/zinc/09/74/99/193097499.db2.gz KFUXNRDFTHFAOP-LLVKDONJSA-N 1 0 301.228 2.150 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)C1(N(CC)CC)CCCC1 ZINC000091639793 193082926 /nfs/dbraw/zinc/08/29/26/193082926.db2.gz CCYBZZLXMGYABW-HNNXBMFYSA-N 1 0 318.527 2.444 10 0 DEAERO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CSC(=O)N1 ZINC000091824631 193113230 /nfs/dbraw/zinc/11/32/30/193113230.db2.gz KFERADKKGKNFLZ-AWEZNQCLSA-N 1 0 319.430 2.088 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000624391633 365405821 /nfs/dbraw/zinc/40/58/21/365405821.db2.gz AMYCMGXEKXXHIW-WDEREUQCSA-N 1 0 323.245 2.412 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)CCc2ccccc2)CC1 ZINC000091872686 193121018 /nfs/dbraw/zinc/12/10/18/193121018.db2.gz JCUKJSMJOHGWHD-UHFFFAOYSA-N 1 0 310.463 2.021 10 0 DEAERO C[NH2+]C1CCC(NS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000091872499 193121225 /nfs/dbraw/zinc/12/12/25/193121225.db2.gz RCWQOOORHBGCKR-UHFFFAOYSA-N 1 0 320.817 2.288 10 0 DEAERO C[C@@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C[NH2+]1 ZINC000624407013 365413481 /nfs/dbraw/zinc/41/34/81/365413481.db2.gz RGSYOJGKTRSFGD-BDAKNGLRSA-N 1 0 323.245 2.412 10 0 DEAERO CC1CCN(C(=[NH2+])NC[C@H]2c3ccccc3C(=O)N2C)CC1 ZINC000630387015 367627335 /nfs/dbraw/zinc/62/73/35/367627335.db2.gz DPAVZLIUJLRHTJ-HNNXBMFYSA-N 1 0 300.406 2.070 10 0 DEAERO CO[C@@H]1CN(C(=O)c2scc(C)c2Cl)[C@](C)(C[NH3+])C1 ZINC000630372509 367616872 /nfs/dbraw/zinc/61/68/72/367616872.db2.gz FSUHSEGKSRMXBJ-ZANVPECISA-N 1 0 302.827 2.288 10 0 DEAERO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CC[C@H](C)O ZINC000450843882 242302724 /nfs/dbraw/zinc/30/27/24/242302724.db2.gz OTTOYXUHMLVYBY-MAUKXSAKSA-N 1 0 305.418 2.398 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2cc(C[NH3+])ccc2Cl)C[C@H]1C ZINC000092113468 193161520 /nfs/dbraw/zinc/16/15/20/193161520.db2.gz JSHYZAAZYKZRBK-NXEZZACHSA-N 1 0 302.827 2.075 10 0 DEAERO CCc1ccc(C[NH2+]C)cc1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092113825 193161714 /nfs/dbraw/zinc/16/17/14/193161714.db2.gz YGULWOFSJUSKHZ-STQMWFEESA-N 1 0 310.463 2.245 10 0 DEAERO CCC[C@H](C)N(C)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115707 193162883 /nfs/dbraw/zinc/16/28/83/193162883.db2.gz KQSDVMQZTIZDOH-NSHDSACASA-N 1 0 302.415 2.354 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)C2CCCCC2)c(F)c1 ZINC000092115520 193163015 /nfs/dbraw/zinc/16/30/15/193163015.db2.gz IMHDEKAPHHDPAA-UHFFFAOYSA-N 1 0 314.426 2.498 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C)c(F)c1 ZINC000092115734 193163238 /nfs/dbraw/zinc/16/32/38/193163238.db2.gz NOYRZPOOCZAXCD-NSHDSACASA-N 1 0 300.399 2.108 10 0 DEAERO CC[C@H](C)N(CC)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115643 193163338 /nfs/dbraw/zinc/16/33/38/193163338.db2.gz SGEGBNVPIPJVHI-NSHDSACASA-N 1 0 302.415 2.354 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C)c(F)c1 ZINC000092115547 193163412 /nfs/dbraw/zinc/16/34/12/193163412.db2.gz PTMDCWRLURKHCX-TXEJJXNPSA-N 1 0 314.426 2.497 10 0 DEAERO CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115597 193163420 /nfs/dbraw/zinc/16/34/20/193163420.db2.gz RGHVKHMBPRLSRK-LBPRGKRZSA-N 1 0 300.399 2.238 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C)c(F)c1 ZINC000092116016 193164176 /nfs/dbraw/zinc/16/41/76/193164176.db2.gz WBLJAKJKVGKZNK-UHFFFAOYSA-N 1 0 302.415 2.212 10 0 DEAERO Oc1ccc(Br)c(C[NH2+]CC[C@H](O)C(F)F)c1 ZINC000631217032 368085321 /nfs/dbraw/zinc/08/53/21/368085321.db2.gz QHILWUYLFULTGP-JTQLQIEISA-N 1 0 310.138 2.260 10 0 DEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc(Cl)c2-n2cccn2)C1 ZINC000092204137 193173291 /nfs/dbraw/zinc/17/32/91/193173291.db2.gz DUAYLIQNVSRGQK-QWRGUYRKSA-N 1 0 302.765 2.368 10 0 DEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)[C@H]3Cc4ccccc4S3)C[C@@H]2C1 ZINC000092231737 193177443 /nfs/dbraw/zinc/17/74/43/193177443.db2.gz LNOSSDHYUOMILT-ORIJERBGSA-N 1 0 302.443 2.289 10 0 DEAERO c1ccc2c(c1)CCSC[C@H]2[NH2+]C1CN(c2ccncn2)C1 ZINC000631746323 368366376 /nfs/dbraw/zinc/36/63/76/368366376.db2.gz HNCIXSGMMKNFLV-MRXNPFEDSA-N 1 0 312.442 2.285 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631831812 368409005 /nfs/dbraw/zinc/40/90/05/368409005.db2.gz PJDYKINSJXBWLK-CJNGLKHVSA-N 1 0 317.433 2.420 10 0 DEAERO Brc1cnccc1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888998 368445603 /nfs/dbraw/zinc/44/56/03/368445603.db2.gz BATKFRNEJYFVBK-SMDDNHRTSA-N 1 0 310.239 2.418 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])s1 ZINC000250432514 202821595 /nfs/dbraw/zinc/82/15/95/202821595.db2.gz JUEPEYXXKKLXRQ-JQWIXIFHSA-N 1 0 302.465 2.201 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000631979627 368478945 /nfs/dbraw/zinc/47/89/45/368478945.db2.gz VLMMTRNRQPCLTN-LLVKDONJSA-N 1 0 316.492 2.367 10 0 DEAERO O=C([C@H]1CCOc2ccccc21)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186525264 296125877 /nfs/dbraw/zinc/12/58/77/296125877.db2.gz ODYILICLKJXNLV-CJNGLKHVSA-N 1 0 300.402 2.296 10 0 DEAERO CN(CC(C)(C)O)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000092958545 193188803 /nfs/dbraw/zinc/18/88/03/193188803.db2.gz CTSTZZJYOGMBAT-GFCCVEGCSA-N 1 0 301.228 2.152 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000262297143 203254090 /nfs/dbraw/zinc/25/40/90/203254090.db2.gz JIBCGCKFPRPJEM-RHSMWYFYSA-N 1 0 307.438 2.440 10 0 DEAERO CC[NH2+]C[C@H](c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000093180002 193211642 /nfs/dbraw/zinc/21/16/42/193211642.db2.gz BFLJQXGXZPCEMI-YPMHNXCESA-N 1 0 301.839 2.468 10 0 DEAERO O=C(Nc1cccc(COC2CCCCC2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262490294 203306755 /nfs/dbraw/zinc/30/67/55/203306755.db2.gz ZJCAHBHUOHBJTJ-WBVHZDCISA-N 1 0 318.417 2.197 10 0 DEAERO Cc1c(CSC(C)C)cccc1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262489052 203307286 /nfs/dbraw/zinc/30/72/86/203307286.db2.gz ZBYSCLDQSSZKFP-HIFRSBDPSA-N 1 0 308.447 2.298 10 0 DEAERO C[S@](=O)Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1Cl ZINC000262645862 203363313 /nfs/dbraw/zinc/36/33/13/203363313.db2.gz RSOSXXYEHGAZCJ-HAZOTFIESA-N 1 0 314.838 2.284 10 0 DEAERO Cc1cc(N[C@H](C)C[C@H]2CCC[NH2+]2)ccc1NS(C)(=O)=O ZINC000093464648 193255771 /nfs/dbraw/zinc/25/57/71/193255771.db2.gz KSHYLSPHFCRREB-CHWSQXEVSA-N 1 0 311.451 2.309 10 0 DEAERO C[C@H](C[C@H]1CCCC[NH2+]1)Nc1ccccc1NS(C)(=O)=O ZINC000093485857 193258008 /nfs/dbraw/zinc/25/80/08/193258008.db2.gz HJUUEEGJZFHUMP-CHWSQXEVSA-N 1 0 311.451 2.391 10 0 DEAERO [NH2+]=C1NC[C@@H](c2ccc3c(c2)OCO3)N1Cc1cccs1 ZINC000093392963 193243947 /nfs/dbraw/zinc/24/39/47/193243947.db2.gz QERKGBPPGHHPNK-LBPRGKRZSA-N 1 0 301.371 2.348 10 0 DEAERO Cc1cc(C)n2c(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)cnc2n1 ZINC000093506183 193262204 /nfs/dbraw/zinc/26/22/04/193262204.db2.gz JFUUZJRTJFUROC-GDBMZVCRSA-N 1 0 300.406 2.347 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)NCc1cc(OC)nc2ccccc12 ZINC000262705834 203388108 /nfs/dbraw/zinc/38/81/08/203388108.db2.gz MHBYBSMSQUNPIF-QGZVFWFLSA-N 1 0 301.390 2.377 10 0 DEAERO CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CC(C)(C)S(C)(=O)=O ZINC000093525840 193263625 /nfs/dbraw/zinc/26/36/25/193263625.db2.gz DKEBFNPWHKDKCT-KBPBESRZSA-N 1 0 318.527 2.154 10 0 DEAERO COc1c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)nn1C ZINC000093563965 193268295 /nfs/dbraw/zinc/26/82/95/193268295.db2.gz KMRBWVGGDVZVLW-OAHLLOKOSA-N 1 0 306.454 2.187 10 0 DEAERO CN[C@@]1(C(=O)OC)CCC[C@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596101 193271952 /nfs/dbraw/zinc/27/19/52/193271952.db2.gz AXJVCBISPJOTNW-AAEUAGOBSA-N 1 0 310.360 2.192 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCn1ncc(Cl)c1C ZINC000093616149 193275587 /nfs/dbraw/zinc/27/55/87/193275587.db2.gz ZVSNYIYYOQPTAX-DOMZBBRYSA-N 1 0 312.845 2.259 10 0 DEAERO CCc1nn(CC)c(C[C@@H]([NH2+]C)[C@H](C)OC)c1Br ZINC000093690329 193289686 /nfs/dbraw/zinc/28/96/86/193289686.db2.gz DMBDYCIQOLYNIL-GXSJLCMTSA-N 1 0 318.259 2.393 10 0 DEAERO C[NH2+][C@@H](CC[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093697929 193293007 /nfs/dbraw/zinc/29/30/07/193293007.db2.gz WTSVHAZHESITTM-HOCLYGCPSA-N 1 0 310.463 2.399 10 0 DEAERO C[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C)c1 ZINC000093699977 193293872 /nfs/dbraw/zinc/29/38/72/193293872.db2.gz MXBOXJMXUSXYRN-GDBMZVCRSA-N 1 0 310.463 2.317 10 0 DEAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccsc1 ZINC000093699920 193293875 /nfs/dbraw/zinc/29/38/75/193293875.db2.gz KPFCZGOWKDWGOA-GXTWGEPZSA-N 1 0 316.492 2.460 10 0 DEAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccs1 ZINC000093699807 193294059 /nfs/dbraw/zinc/29/40/59/193294059.db2.gz DOSPBDYYGVASHS-NEPJUHHUSA-N 1 0 302.465 2.070 10 0 DEAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)CC(C)(C)C ZINC000093700324 193294315 /nfs/dbraw/zinc/29/43/15/193294315.db2.gz FFXRZTNUGAFDRI-UONOGXRCSA-N 1 0 304.500 2.462 10 0 DEAERO C[NH2+][C@H](CSC(C)(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700470 193294351 /nfs/dbraw/zinc/29/43/51/193294351.db2.gz SASUPPZUSASZPU-STQMWFEESA-N 1 0 322.540 2.168 10 0 DEAERO C[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCCC1 ZINC000093699994 193294370 /nfs/dbraw/zinc/29/43/70/193294370.db2.gz KRZLRUYDKPOECU-UKRRQHHQSA-N 1 0 302.484 2.216 10 0 DEAERO CC[C@@](C)(C[NH2+]C1CC1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701556 193294906 /nfs/dbraw/zinc/29/49/06/193294906.db2.gz HNZDVHPCLVJDRA-DZGCQCFKSA-N 1 0 302.484 2.216 10 0 DEAERO CC[C@H](C[NH2+]CC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701445 193295102 /nfs/dbraw/zinc/29/51/02/193295102.db2.gz FDUVGQPHNGBDKG-LSDHHAIUSA-N 1 0 304.500 2.320 10 0 DEAERO Cc1nn([C@H]2CCC[C@]([NH2+]C3CC3)(C(N)=O)C2)c(C)c1Cl ZINC000093759583 193301653 /nfs/dbraw/zinc/30/16/53/193301653.db2.gz BLUVUUNMEDRXIG-SWLSCSKDSA-N 1 0 310.829 2.245 10 0 DEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H](N(C)CCC(F)(F)F)C1 ZINC000093756556 193301967 /nfs/dbraw/zinc/30/19/67/193301967.db2.gz RZTXPYGJWGORKE-DGCLKSJQSA-N 1 0 309.376 2.035 10 0 DEAERO Cc1nn([C@H]2CCC[C@]([NH2+]C(C)C)(C(N)=O)C2)c(C)c1Cl ZINC000093759616 193302202 /nfs/dbraw/zinc/30/22/02/193302202.db2.gz NNAUSEFZFHVUFD-SWLSCSKDSA-N 1 0 312.845 2.491 10 0 DEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000093784228 193307699 /nfs/dbraw/zinc/30/76/99/193307699.db2.gz QMRSQZAYHCVKQH-OLZOCXBDSA-N 1 0 316.243 2.490 10 0 DEAERO CCC[NH2+][C@]1(CO)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000093784215 193307812 /nfs/dbraw/zinc/30/78/12/193307812.db2.gz ONLUSKCVSMJNTC-CHWSQXEVSA-N 1 0 316.243 2.491 10 0 DEAERO CC(C)OCCS(=O)(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC000093664750 193285798 /nfs/dbraw/zinc/28/57/98/193285798.db2.gz IDABIPKRXHZEMM-UHFFFAOYSA-N 1 0 314.451 2.090 10 0 DEAERO CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093831923 193314869 /nfs/dbraw/zinc/31/48/69/193314869.db2.gz DIKMGXINWOWARH-YPMHNXCESA-N 1 0 308.344 2.246 10 0 DEAERO CCN[C@@]1(C(=O)OCC)CC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093831813 193315060 /nfs/dbraw/zinc/31/50/60/193315060.db2.gz XTDLLINJQPRBBA-AAEUAGOBSA-N 1 0 310.360 2.335 10 0 DEAERO NC(=O)[C@@]1([NH3+])CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000093848878 193317163 /nfs/dbraw/zinc/31/71/63/193317163.db2.gz YIKXJFQGDZORSE-CMPLNLGQSA-N 1 0 315.236 2.277 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CC[C@H](Sc2nc3ccccc3s2)C1 ZINC000093849277 193317997 /nfs/dbraw/zinc/31/79/97/193317997.db2.gz WYQPCHNPQQETFG-LKFCYVNXSA-N 1 0 307.444 2.384 10 0 DEAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000094006461 193338809 /nfs/dbraw/zinc/33/88/09/193338809.db2.gz OECAWKPAKGMZOR-UHFFFAOYSA-N 1 0 318.389 2.005 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(C)s1 ZINC000093890986 193323765 /nfs/dbraw/zinc/32/37/65/193323765.db2.gz DYSZYRSGYIVHMH-UHFFFAOYSA-N 1 0 304.481 2.442 10 0 DEAERO CCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CN(C)CCN1C ZINC000093895866 193325432 /nfs/dbraw/zinc/32/54/32/193325432.db2.gz WCZXVTQCXRCCQW-IAGOWNOFSA-N 1 0 309.885 2.497 10 0 DEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1cc(C)cc(C)c1 ZINC000094023937 193339435 /nfs/dbraw/zinc/33/94/35/193339435.db2.gz QCNHNTRGXSRUNP-UHFFFAOYSA-N 1 0 310.463 2.314 10 0 DEAERO CC(C)C[C@@H]([NH2+]Cc1cc(F)c(O)c(F)c1)C(=O)N(C)C ZINC000094265728 193355369 /nfs/dbraw/zinc/35/53/69/193355369.db2.gz WYUBDYNOFLVUJC-CYBMUJFWSA-N 1 0 300.349 2.263 10 0 DEAERO O[C@H](Cc1nc2ccccc2s1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094251004 193355422 /nfs/dbraw/zinc/35/54/22/193355422.db2.gz VOWAHRICGYPVGI-BNOWGMLFSA-N 1 0 304.415 2.063 10 0 DEAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH2+]C)[C@H](N(C)CCS(C)(=O)=O)C1 ZINC000094298462 193357748 /nfs/dbraw/zinc/35/77/48/193357748.db2.gz NJXDCZKTCGYSEX-RBSFLKMASA-N 1 0 318.527 2.156 10 0 DEAERO CCC[NH2+][C@H]1[C@H](S(=O)(=O)C2CCOCC2)CCC1(C)C ZINC000094311586 193358516 /nfs/dbraw/zinc/35/85/16/193358516.db2.gz SGAJXYMLPJGJAE-KGLIPLIRSA-N 1 0 303.468 2.137 10 0 DEAERO CC[C@H](Oc1c(F)cc(C[NH2+]CC(C)C)cc1F)C(N)=O ZINC000094348040 193363424 /nfs/dbraw/zinc/36/34/24/193363424.db2.gz PMFCTTVZFWLTCH-ZDUSSCGKSA-N 1 0 300.349 2.353 10 0 DEAERO C[C@@H]([NH3+])Cc1cc(F)c(OCC(=O)NC(C)(C)C)c(F)c1 ZINC000094350206 193363633 /nfs/dbraw/zinc/36/36/33/193363633.db2.gz YKBJVUFIPHVRJW-SECBINFHSA-N 1 0 300.349 2.148 10 0 DEAERO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000094135135 193346153 /nfs/dbraw/zinc/34/61/53/193346153.db2.gz DHRHDWHLQDHVNE-OAHLLOKOSA-N 1 0 318.417 2.466 10 0 DEAERO CCN(CC)C(C)(C)[C@H]([NH2+]C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642879 193388545 /nfs/dbraw/zinc/38/85/45/193388545.db2.gz TZLRFBKQSJZHFL-QLFBSQMISA-N 1 0 318.527 2.298 10 0 DEAERO C[NH2+][C@H](Cc1csc(C)n1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642190 193388609 /nfs/dbraw/zinc/38/86/09/193388609.db2.gz HMGPUTZQWAKCLR-FPMFFAJLSA-N 1 0 316.492 2.185 10 0 DEAERO C[NH2+][C@H](Cc1cccs1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642102 193389144 /nfs/dbraw/zinc/38/91/44/193389144.db2.gz ABMQGJQHAFIPLR-FPMFFAJLSA-N 1 0 301.477 2.482 10 0 DEAERO C[NH+](C)C1([C@H](O)[C@H]2CCC[C@H](S(C)(=O)=O)C2)CCCCC1 ZINC000094641360 193389158 /nfs/dbraw/zinc/38/91/58/193389158.db2.gz DLUILSXPPPSRRH-SOUVJXGZSA-N 1 0 317.495 2.215 10 0 DEAERO CCC[NH2+]C[C@@H]1CCCCN1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644267 193389680 /nfs/dbraw/zinc/38/96/80/193389680.db2.gz SUBXAHIQAKIMRM-PMPSAXMXSA-N 1 0 316.511 2.196 10 0 DEAERO CC[NH2+]Cc1c(C)nn([C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1C ZINC000094643984 193389976 /nfs/dbraw/zinc/38/99/76/193389976.db2.gz BRGCSZQZOQXFBE-UONOGXRCSA-N 1 0 313.467 2.138 10 0 DEAERO Cc1ccc(NS(=O)(=O)Cc2cccc(C[NH3+])c2)c(C)n1 ZINC000094664994 193391023 /nfs/dbraw/zinc/39/10/23/193391023.db2.gz WEGNQYTZJRXFAW-UHFFFAOYSA-N 1 0 305.403 2.099 10 0 DEAERO CCOC(=O)[C@@]1(NCC[NH+](CC)CC)CSCC(C)(C)C1 ZINC000094490020 193373581 /nfs/dbraw/zinc/37/35/81/193373581.db2.gz QUEGDVXFXPWMIH-INIZCTEOSA-N 1 0 316.511 2.383 10 0 DEAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)[C@H]1CSCCO1 ZINC000094503209 193374169 /nfs/dbraw/zinc/37/41/69/193374169.db2.gz ONOQFKOTZYRQBI-ZYHUDNBSSA-N 1 0 303.859 2.127 10 0 DEAERO CCC[NH2+][C@H](c1cc(Cl)cnc1N)[C@H]1CSCCO1 ZINC000094504392 193374689 /nfs/dbraw/zinc/37/46/89/193374689.db2.gz XTMWSOBOLCJZQG-VXGBXAGGSA-N 1 0 301.843 2.490 10 0 DEAERO C[NH2+][C@H](c1cccc(Cl)c1Cl)[C@H]1CN2CCN1CC2 ZINC000094509148 193375590 /nfs/dbraw/zinc/37/55/90/193375590.db2.gz HVAHYZAVLCEJFF-TZMCWYRMSA-N 1 0 300.233 2.254 10 0 DEAERO CC[NH2+]CCS(=O)(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000094545319 193378544 /nfs/dbraw/zinc/37/85/44/193378544.db2.gz GJZWCULDVHWJGV-IRHLINNNSA-N 1 0 314.495 2.264 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)Cc2cccc(Br)c2)C1 ZINC000094549433 193378817 /nfs/dbraw/zinc/37/88/17/193378817.db2.gz ZRSGPVHYHQSMLC-GXFFZTMASA-N 1 0 311.223 2.187 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2nc3ccc(Cl)cc3s2)O1 ZINC000094562963 193380005 /nfs/dbraw/zinc/38/00/05/193380005.db2.gz PYPLTMBCSRGYJO-SCZZXKLOSA-N 1 0 311.794 2.395 10 0 DEAERO COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C[NH3+])o2)c1 ZINC000094566517 193380866 /nfs/dbraw/zinc/38/08/66/193380866.db2.gz JYIJVFYIGNOGSF-UHFFFAOYSA-N 1 0 308.721 2.431 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)O1 ZINC000094567369 193380984 /nfs/dbraw/zinc/38/09/84/193380984.db2.gz YDELAPPNSJXFPP-QWHCGFSZSA-N 1 0 303.387 2.255 10 0 DEAERO Brc1ccc2nc(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)nn2c1 ZINC000094607564 193384487 /nfs/dbraw/zinc/38/44/87/193384487.db2.gz JMFVZMZDSAQVEX-ZACCUICWSA-N 1 0 322.210 2.187 10 0 DEAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)Cc1ccc(OC)nc1 ZINC000094632660 193385251 /nfs/dbraw/zinc/38/52/51/193385251.db2.gz LXQIEUUBEGFFKV-LBPRGKRZSA-N 1 0 308.813 2.159 10 0 DEAERO C[NH2+][C@H](Cc1nc(-c2cncc(Br)c2)no1)C1CC1 ZINC000094825677 193401764 /nfs/dbraw/zinc/40/17/64/193401764.db2.gz NNPXGDLQVNQDMB-LLVKDONJSA-N 1 0 323.194 2.435 10 0 DEAERO Cc1ccsc1CNS(=O)(=O)c1ccc(C)c(C[NH3+])c1 ZINC000094886828 193404989 /nfs/dbraw/zinc/40/49/89/193404989.db2.gz KEJRJFKKFCNPMF-UHFFFAOYSA-N 1 0 310.444 2.302 10 0 DEAERO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2nccn2CC)n1 ZINC000453226537 245008875 /nfs/dbraw/zinc/00/88/75/245008875.db2.gz RNKMSMSFSRIGGY-LLVKDONJSA-N 1 0 322.434 2.430 10 0 DEAERO c1ccc(CO[C@@H]2CO[C@@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000096218462 193587975 /nfs/dbraw/zinc/58/79/75/193587975.db2.gz RMRCCDGCJBZPOD-FHWLQOOXSA-N 1 0 317.429 2.473 10 0 DEAERO CC(=O)c1ccc(NC(=O)CC[NH+]2CCC([C@@H](C)O)CC2)cc1 ZINC000264714196 204095923 /nfs/dbraw/zinc/09/59/23/204095923.db2.gz LNQBFRGRDIHTSY-CQSZACIVSA-N 1 0 318.417 2.311 10 0 DEAERO COCC[NH2+]C[C@](C)(O)Cc1ccc(Br)cc1F ZINC000097241191 193696831 /nfs/dbraw/zinc/69/68/31/193696831.db2.gz AYHBYAJEVDCOGW-CYBMUJFWSA-N 1 0 320.202 2.118 10 0 DEAERO C[NH+](C)C[C@@H]1C[C@@H](O)CN1Cc1ccc(Cl)c(Cl)c1 ZINC000097263836 193702050 /nfs/dbraw/zinc/70/20/50/193702050.db2.gz JFCOKHTVHFUSCS-NWDGAFQWSA-N 1 0 303.233 2.490 10 0 DEAERO O=C(c1cc2c(c(Cl)c1)OCO2)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186553437 296188974 /nfs/dbraw/zinc/18/89/74/296188974.db2.gz IDTNWYOMYMXDFT-LLVKDONJSA-N 1 0 322.792 2.425 10 0 DEAERO C[NH2+][C@H](c1csc(C)n1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097312689 193706764 /nfs/dbraw/zinc/70/67/64/193706764.db2.gz MXFMDWYRZWUNNS-MDZLAQPJSA-N 1 0 302.465 2.315 10 0 DEAERO CCCc1nnsc1[C@@H]([NH3+])[C@@H]1CCOC2(CCOCC2)C1 ZINC000097311038 193706820 /nfs/dbraw/zinc/70/68/20/193706820.db2.gz BEUSSGRUJAVROI-YPMHNXCESA-N 1 0 311.451 2.466 10 0 DEAERO Cn1ncc(Br)c1[C@@H]([NH3+])[C@@H]1COc2ccccc21 ZINC000161953750 197532328 /nfs/dbraw/zinc/53/23/28/197532328.db2.gz BOXNRDWXESNPOF-SKDRFNHKSA-N 1 0 308.179 2.359 10 0 DEAERO [NH3+]CCS[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O ZINC000016900037 182063253 /nfs/dbraw/zinc/06/32/53/182063253.db2.gz GTJSWGWXMFFUEA-SNVBAGLBSA-N 1 0 319.213 2.317 10 0 DEAERO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC000266655974 205507831 /nfs/dbraw/zinc/50/78/31/205507831.db2.gz GWXWKHJNFHCWNZ-OHRKKDJYSA-N 1 0 302.422 2.457 10 0 DEAERO [NH3+][C@@H]1CCC(=O)N[C@@H]1c1ccc(Br)cc1Cl ZINC000161117786 197466862 /nfs/dbraw/zinc/46/68/62/197466862.db2.gz MJLSSDFYGCMECD-MWLCHTKSSA-N 1 0 303.587 2.381 10 0 DEAERO NC(=[NH2+])c1cccnc1Sc1nnc(C2CC2)n1C1CC1 ZINC000019848087 182156550 /nfs/dbraw/zinc/15/65/50/182156550.db2.gz PUXPAPWERNNEDS-UHFFFAOYSA-N 1 0 300.391 2.321 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC000020081636 182184994 /nfs/dbraw/zinc/18/49/94/182184994.db2.gz ZUOUGDPMBANCCL-WDMOLILDSA-N 1 0 300.349 2.397 10 0 DEAERO CC[C@H](CO)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000020194436 182196015 /nfs/dbraw/zinc/19/60/15/182196015.db2.gz NAOCUGPGCOVODP-SECBINFHSA-N 1 0 304.184 2.024 10 0 DEAERO CCn1nc(C)c(Br)c1CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160042784 197381677 /nfs/dbraw/zinc/38/16/77/197381677.db2.gz FZEGBWAQTDGHJQ-NSHDSACASA-N 1 0 315.259 2.143 10 0 DEAERO Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000160098700 197385528 /nfs/dbraw/zinc/38/55/28/197385528.db2.gz JZXHYPYFAPUIMF-CQSZACIVSA-N 1 0 322.453 2.384 10 0 DEAERO C[C@@H](CNC(=O)NCC1CCCCCC1)C[NH+]1CCN(C)CC1 ZINC000454626973 246002005 /nfs/dbraw/zinc/00/20/05/246002005.db2.gz UJLYHBOPFGACHW-INIZCTEOSA-N 1 0 324.513 2.140 10 0 DEAERO Fc1ccc(OCC[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000530524903 284434712 /nfs/dbraw/zinc/43/47/12/284434712.db2.gz JDACDACDELSZPP-ZWKOTPCHSA-N 1 0 322.424 2.438 10 0 DEAERO COc1cccc(C[NH2+]C2CCCCCC2)c1OCC(N)=O ZINC000020872583 182250743 /nfs/dbraw/zinc/25/07/43/182250743.db2.gz AESAHDKTPXZTCQ-UHFFFAOYSA-N 1 0 306.406 2.372 10 0 DEAERO C[C@@H]1CCc2nn(CC(=O)NCC[NH+]3CCCCCC3)cc2C1 ZINC000020865885 182250864 /nfs/dbraw/zinc/25/08/64/182250864.db2.gz ZAMHMFZUVSTOTL-OAHLLOKOSA-N 1 0 318.465 2.000 10 0 DEAERO COc1c(Cl)cc(CNCC[NH2+]C[C@H](C)O)cc1Cl ZINC000020967750 182256931 /nfs/dbraw/zinc/25/69/31/182256931.db2.gz ASKIVWIHGDYXAN-VIFPVBQESA-N 1 0 307.221 2.062 10 0 DEAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCc2ccc(O)cc2C1 ZINC000262036419 284521135 /nfs/dbraw/zinc/52/11/35/284521135.db2.gz ZQAJKXLYQTYYDK-JQFCIGGWSA-N 1 0 300.402 2.198 10 0 DEAERO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCc2ccc(O)cc2C1 ZINC000262036425 284526401 /nfs/dbraw/zinc/52/64/01/284526401.db2.gz ZQAJKXLYQTYYDK-XYPHTWIQSA-N 1 0 300.402 2.198 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000031825892 182625658 /nfs/dbraw/zinc/62/56/58/182625658.db2.gz JDOHQVMFRBOVMN-CQSZACIVSA-N 1 0 317.433 2.274 10 0 DEAERO CC(C)[NH2+]C[C@@H](O)COc1ccc(Br)cc1F ZINC000034978732 182746037 /nfs/dbraw/zinc/74/60/37/182746037.db2.gz VOUKYRURUQIQDD-SNVBAGLBSA-N 1 0 306.175 2.326 10 0 DEAERO Cc1cccc(C(=O)N2C[C@@H](C)N(CCC[NH+](C)C)[C@@H](C)C2)c1 ZINC000036124715 182804142 /nfs/dbraw/zinc/80/41/42/182804142.db2.gz WZVVJDYSDNFMTK-CALCHBBNSA-N 1 0 317.477 2.482 10 0 DEAERO O=C(NCc1ccc2cc[nH]c2n1)C1C[NH+](C2CCCCC2)C1 ZINC000457822455 248033126 /nfs/dbraw/zinc/03/31/26/248033126.db2.gz JDUCOEISHCBGGG-UHFFFAOYSA-N 1 0 312.417 2.444 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CCCC(N)=O)cc1Br ZINC000037659476 182918728 /nfs/dbraw/zinc/91/87/28/182918728.db2.gz SPJGXHGYSNEBKK-VIFPVBQESA-N 1 0 315.211 2.374 10 0 DEAERO C[NH2+]Cc1cc(Br)ccc1O[C@H]1CCC[C@H]1O ZINC000037702799 182918996 /nfs/dbraw/zinc/91/89/96/182918996.db2.gz DANUIGFFRBPMBB-YPMHNXCESA-N 1 0 300.196 2.461 10 0 DEAERO C[C@@H]1C[N@H+](CCCC(=O)Nc2ccc(Cl)cc2N)CCO1 ZINC000040162777 183042703 /nfs/dbraw/zinc/04/27/03/183042703.db2.gz XKDJVGMMNPVNGV-LLVKDONJSA-N 1 0 311.813 2.362 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(Cc2cccc(Cl)c2)C(C)C)C1 ZINC000040635384 183112525 /nfs/dbraw/zinc/11/25/25/183112525.db2.gz ZAWDODFUHPMLHP-GJZGRUSLSA-N 1 0 310.825 2.454 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C(C)(C)C(N)=O)cc1Br ZINC000040674600 183116214 /nfs/dbraw/zinc/11/62/14/183116214.db2.gz BYVWRYCEZLLJAG-QMMMGPOBSA-N 1 0 315.211 2.372 10 0 DEAERO COC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000040616565 183109499 /nfs/dbraw/zinc/10/94/99/183109499.db2.gz DAPOLUFUYUWIDI-ZDUSSCGKSA-N 1 0 308.378 2.197 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000040850845 183142221 /nfs/dbraw/zinc/14/22/21/183142221.db2.gz HYNYFFDVJNESSD-PSASIEDQSA-N 1 0 320.723 2.257 10 0 DEAERO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cccc(Cl)c1 ZINC000040746769 183128603 /nfs/dbraw/zinc/12/86/03/183128603.db2.gz BZQBUXYEPPBXBF-FUNVUKJBSA-N 1 0 314.838 2.244 10 0 DEAERO Cc1nc2c(C)cccn2c1CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000041292513 183183424 /nfs/dbraw/zinc/18/34/24/183183424.db2.gz PEWYKZNBYYHNQE-UHFFFAOYSA-N 1 0 314.433 2.046 10 0 DEAERO CC[N@H+](CCO)CC[C@@H](O)c1ccc(Br)cc1 ZINC000041145259 183176069 /nfs/dbraw/zinc/17/60/69/183176069.db2.gz WWQCBSGWLBXCBV-CYBMUJFWSA-N 1 0 302.212 2.187 10 0 DEAERO C[NH+]1CCN(CC[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000041145247 183176275 /nfs/dbraw/zinc/17/62/75/183176275.db2.gz TUGWQWPWICJIBY-CQSZACIVSA-N 1 0 313.239 2.120 10 0 DEAERO Cc1oc(-c2ccccc2F)nc1CC(=O)NCCC[NH+](C)C ZINC000041318974 183184942 /nfs/dbraw/zinc/18/49/42/183184942.db2.gz VIGQBTBCTPWOKF-UHFFFAOYSA-N 1 0 319.380 2.400 10 0 DEAERO CS(=O)(=O)c1ccc(Cn2ccc3c2CCC[C@@H]3[NH3+])cc1 ZINC000041722894 183218566 /nfs/dbraw/zinc/21/85/66/183218566.db2.gz WFDZARDGMNNICH-HNNXBMFYSA-N 1 0 304.415 2.276 10 0 DEAERO CCc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000041665296 183213074 /nfs/dbraw/zinc/21/30/74/183213074.db2.gz VDVPDLLEEGDXJE-CQSZACIVSA-N 1 0 317.433 2.178 10 0 DEAERO CN(Cc1cc(Br)cs1)C(=O)n1cc[n+](C)c1 ZINC000042400123 183264571 /nfs/dbraw/zinc/26/45/71/183264571.db2.gz OTFZDALSDADMKL-UHFFFAOYSA-N 1 0 315.216 2.237 10 0 DEAERO COCC[NH2+]CCN(C)Cc1ccc(Br)cc1F ZINC000042428050 183269093 /nfs/dbraw/zinc/26/90/93/183269093.db2.gz UHKLWRJAMUABFN-UHFFFAOYSA-N 1 0 319.218 2.256 10 0 DEAERO CCN(C[C@H](C)C[NH3+])S(=O)(=O)c1ccccc1C(F)(F)F ZINC000042441947 183270980 /nfs/dbraw/zinc/27/09/80/183270980.db2.gz IGKWIPCXAQXDCY-SNVBAGLBSA-N 1 0 324.368 2.311 10 0 DEAERO CCN(C[C@H](C)C[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000042442255 183271161 /nfs/dbraw/zinc/27/11/61/183271161.db2.gz OFXYVICUBVHXLS-SNVBAGLBSA-N 1 0 306.378 2.104 10 0 DEAERO C[C@H](C[NH3+])CN(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000042455707 183272678 /nfs/dbraw/zinc/27/26/78/183272678.db2.gz JUPVHGBVTWKDLB-SECBINFHSA-N 1 0 310.341 2.011 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2Br)C1 ZINC000042374836 183260857 /nfs/dbraw/zinc/26/08/57/183260857.db2.gz XOPSZXRRNHFROM-VIFPVBQESA-N 1 0 301.159 2.022 10 0 DEAERO C[NH2+]Cc1c(N(CCOC)[C@H](C)C2CC2)nc2sccn12 ZINC000042681020 183296277 /nfs/dbraw/zinc/29/62/77/183296277.db2.gz CHTOREOBQLGEBJ-LLVKDONJSA-N 1 0 308.451 2.367 10 0 DEAERO O=S(=O)(CC[C@H]1CCCC[NH2+]1)N(Cc1ccco1)C1CC1 ZINC000042693359 183296840 /nfs/dbraw/zinc/29/68/40/183296840.db2.gz YCYHVILPAILQMD-CYBMUJFWSA-N 1 0 312.435 2.106 10 0 DEAERO CNC(=O)C1CCN([C@H](c2ccc(Cl)cc2)[C@H](C)[NH3+])CC1 ZINC000042945275 183319833 /nfs/dbraw/zinc/31/98/33/183319833.db2.gz CKWNAKBJRRSIEG-NHYWBVRUSA-N 1 0 309.841 2.186 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCC(CC(N)=O)CC1 ZINC000042946568 183320712 /nfs/dbraw/zinc/32/07/12/183320712.db2.gz URBLHMGKJPQKRM-BZNIZROVSA-N 1 0 309.841 2.316 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000042951489 183321019 /nfs/dbraw/zinc/32/10/19/183321019.db2.gz AFACGGXLIPEBGU-JVXZTZIISA-N 1 0 310.810 2.186 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1cccc(F)c1 ZINC000042974834 183324954 /nfs/dbraw/zinc/32/49/54/183324954.db2.gz KPNCCVJBURUQSO-ZWNOBZJWSA-N 1 0 308.382 2.062 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1sccc1C)N1CCCC[C@@H]1C(=O)NC ZINC000043248708 183346790 /nfs/dbraw/zinc/34/67/90/183346790.db2.gz XKHAEGZQYTWBNT-MJBXVCDLSA-N 1 0 309.479 2.435 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1sccc1C)N1CCC(CC(N)=O)CC1 ZINC000043248754 183346940 /nfs/dbraw/zinc/34/69/40/183346940.db2.gz MGTYBGLRYSDMCE-DZGCQCFKSA-N 1 0 309.479 2.422 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(CC(N)=O)C(C)C ZINC000043253846 183348217 /nfs/dbraw/zinc/34/82/17/183348217.db2.gz DCPYARSVOUEUML-RNCFNFMXSA-N 1 0 303.859 2.376 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCC(CC(N)=O)CC1 ZINC000043253804 183348295 /nfs/dbraw/zinc/34/82/95/183348295.db2.gz JGILHOOHGFCPBL-XPTSAGLGSA-N 1 0 315.870 2.377 10 0 DEAERO [NH3+]C[C@H](c1cc(Br)cs1)N1CCC(CO)CC1 ZINC000043285133 183350196 /nfs/dbraw/zinc/35/01/96/183350196.db2.gz BDGQIKRACZLTEO-LLVKDONJSA-N 1 0 319.268 2.215 10 0 DEAERO CC[NH2+][C@@H](c1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300989 183352344 /nfs/dbraw/zinc/35/23/44/183352344.db2.gz FXBAYXMNLLMVBH-ZWNOBZJWSA-N 1 0 319.373 2.373 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CCO ZINC000043092346 183335770 /nfs/dbraw/zinc/33/57/70/183335770.db2.gz KOOFWOKNRLYBDR-CHWSQXEVSA-N 1 0 301.228 2.152 10 0 DEAERO CC(C)N(CCO)[C@@H](C[NH3+])c1ccccc1Br ZINC000043093282 183336492 /nfs/dbraw/zinc/33/64/92/183336492.db2.gz PAQOGXAWLQCZNU-ZDUSSCGKSA-N 1 0 301.228 2.152 10 0 DEAERO CC[NH+](CC)CCNc1nc2c(cc1C(N)=S)CCCC2 ZINC000043410765 183360364 /nfs/dbraw/zinc/36/03/64/183360364.db2.gz RBAZRWUKCTYLSG-UHFFFAOYSA-N 1 0 306.479 2.348 10 0 DEAERO CCOC(=O)CCC[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000102400189 193884814 /nfs/dbraw/zinc/88/48/14/193884814.db2.gz ORUKYPSOERSBPQ-CQSZACIVSA-N 1 0 312.454 2.202 10 0 DEAERO CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccccc2OC2CCCC2)C1 ZINC000284443937 218028874 /nfs/dbraw/zinc/02/88/74/218028874.db2.gz AOTGHPLBWVFWMH-HOTGVXAUSA-N 1 0 318.417 2.083 10 0 DEAERO CN(C)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000104970465 194060467 /nfs/dbraw/zinc/06/04/67/194060467.db2.gz RMOJGQNCRFEKJC-INIZCTEOSA-N 1 0 302.422 2.455 10 0 DEAERO Cc1ccccc1CNC(=O)[C@H]1CCO[C@@H]1C1CC[NH+](C)CC1 ZINC000284821209 218191839 /nfs/dbraw/zinc/19/18/39/218191839.db2.gz UYEMWEHQICKMNV-ZWKOTPCHSA-N 1 0 316.445 2.358 10 0 DEAERO Cc1cnc(C)c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000284885514 218221338 /nfs/dbraw/zinc/22/13/38/218221338.db2.gz NPZHHEXVMDSWAL-GOEBONIOSA-N 1 0 314.437 2.322 10 0 DEAERO C[N@H+](CCOc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802630 194132493 /nfs/dbraw/zinc/13/24/93/194132493.db2.gz PCMGTFBEOUYOCI-MRXNPFEDSA-N 1 0 312.417 2.456 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)N[C@H](C)c2ccccc2)c1 ZINC000105881139 194155050 /nfs/dbraw/zinc/15/50/50/194155050.db2.gz JEZRIUSDAUJFGW-CABCVRRESA-N 1 0 300.406 2.047 10 0 DEAERO CC[C@H]1CN(CCOc2c(C)cccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000105912969 194169131 /nfs/dbraw/zinc/16/91/31/194169131.db2.gz LCICMSVQOPPRNS-MSOLQXFVSA-N 1 0 320.477 2.459 10 0 DEAERO CCOc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1F ZINC000106335535 194198583 /nfs/dbraw/zinc/19/85/83/194198583.db2.gz LEUAVJXVBRTFSE-CYBMUJFWSA-N 1 0 309.385 2.118 10 0 DEAERO CCN(Cc1cccs1)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000048971025 183700080 /nfs/dbraw/zinc/70/00/80/183700080.db2.gz FSUVSGAIMVSJLX-UHFFFAOYSA-N 1 0 310.444 2.418 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@](C)(O)CCC(C)C ZINC000153470471 284804826 /nfs/dbraw/zinc/80/48/26/284804826.db2.gz OYXSLCLQJIGPHF-GDBMZVCRSA-N 1 0 301.475 2.203 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@H]1SCCc2sccc21 ZINC000533815016 284808680 /nfs/dbraw/zinc/80/86/80/284808680.db2.gz KJAJAALUGZNZOA-AWEZNQCLSA-N 1 0 319.455 2.124 10 0 DEAERO CCN(Cc1cccs1)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000049644992 183750964 /nfs/dbraw/zinc/75/09/64/183750964.db2.gz ABCAIOHKTMNURL-CYBMUJFWSA-N 1 0 316.492 2.432 10 0 DEAERO C[C@@H](NS(=O)(=O)C[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000049646056 183751689 /nfs/dbraw/zinc/75/16/89/183751689.db2.gz DAKHJVNNBLYJRF-ZWNOBZJWSA-N 1 0 302.827 2.072 10 0 DEAERO CCC(CC)(C[NH3+])N(C)S(=O)(=O)c1cc(F)ccc1C ZINC000050093685 183772863 /nfs/dbraw/zinc/77/28/63/183772863.db2.gz DRDFLNVBBOVBND-UHFFFAOYSA-N 1 0 302.415 2.272 10 0 DEAERO CCN(C1(C[NH3+])CCCC1)S(=O)(=O)c1cc(F)ccc1C ZINC000050093183 183772385 /nfs/dbraw/zinc/77/23/85/183772385.db2.gz JXZVJOYPTOJONG-UHFFFAOYSA-N 1 0 314.426 2.416 10 0 DEAERO CCN(C(CC)(CC)C[NH3+])S(=O)(=O)c1cc(F)ccc1F ZINC000050093726 183772966 /nfs/dbraw/zinc/77/29/66/183772966.db2.gz DDEHHBDIVIPQGB-UHFFFAOYSA-N 1 0 320.405 2.493 10 0 DEAERO C[NH+](C)CC1CCN(C(=O)c2cc(Cl)ccc2NN)CC1 ZINC000051113073 183815509 /nfs/dbraw/zinc/81/55/09/183815509.db2.gz GLNPYKOBJZCNQI-UHFFFAOYSA-N 1 0 310.829 2.039 10 0 DEAERO C[NH2+]Cc1nccn1Cc1ccc(OC)c(Br)c1 ZINC000051004373 183810614 /nfs/dbraw/zinc/81/06/14/183810614.db2.gz YJWVFJQJMGTZPH-UHFFFAOYSA-N 1 0 310.195 2.422 10 0 DEAERO CC[C@@H](C(N)=S)[NH+]1CCN(Cc2cc(C)cc(C)c2)CC1 ZINC000109469493 194266558 /nfs/dbraw/zinc/26/65/58/194266558.db2.gz VVLWDXCLKUHJDC-INIZCTEOSA-N 1 0 305.491 2.486 10 0 DEAERO NC(=O)c1ccc(Cl)c(NC(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000050943722 183808826 /nfs/dbraw/zinc/80/88/26/183808826.db2.gz QFXLGXPGEWLZGH-LLVKDONJSA-N 1 0 309.797 2.300 10 0 DEAERO CCC[NH2+][C@@H]1CCCCC[C@H]1c1nc(CS(C)(=O)=O)no1 ZINC000109512508 194270129 /nfs/dbraw/zinc/27/01/29/194270129.db2.gz GATWDEHQPBIJBT-VXGBXAGGSA-N 1 0 315.439 2.030 10 0 DEAERO COC[C@@H]([NH3+])Cc1nc(-c2ccc(Br)cc2)no1 ZINC000109503320 194270254 /nfs/dbraw/zinc/27/02/54/194270254.db2.gz JEGHOIQHDPJINC-JTQLQIEISA-N 1 0 312.167 2.015 10 0 DEAERO Cc1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@@H]2C)c(Br)c1 ZINC000052278356 183857322 /nfs/dbraw/zinc/85/73/22/183857322.db2.gz QJCNHDUESFNRIM-LOWVWBTDSA-N 1 0 314.223 2.495 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C)cc1F ZINC000110085717 194308758 /nfs/dbraw/zinc/30/87/58/194308758.db2.gz WZRXKTHUYLLWTM-ZDUSSCGKSA-N 1 0 309.385 2.366 10 0 DEAERO CC(C)C[NH2+]C[C@H]1CCCN1c1ccccc1S(C)(=O)=O ZINC000053697328 183910136 /nfs/dbraw/zinc/91/01/36/183910136.db2.gz NJUJCHUUQBATHV-CQSZACIVSA-N 1 0 310.463 2.305 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCNC(=O)C1(C)C ZINC000110653439 194346927 /nfs/dbraw/zinc/34/69/27/194346927.db2.gz VOGLDRVZSSVPFY-JOYOIKCWSA-N 1 0 315.870 2.390 10 0 DEAERO C[C@H]([NH3+])C1CCN(CC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000110650060 194347061 /nfs/dbraw/zinc/34/70/61/194347061.db2.gz CHOMCGYNPYRZAC-JTQLQIEISA-N 1 0 313.804 2.477 10 0 DEAERO C[NH2+][C@H](CCN1CCOCC1)c1ccccc1Br ZINC000054015560 183920182 /nfs/dbraw/zinc/92/01/82/183920182.db2.gz XOOXTIULZVPTNF-CQSZACIVSA-N 1 0 313.239 2.432 10 0 DEAERO COC(=O)c1ccc(Cl)c(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054307083 183933433 /nfs/dbraw/zinc/93/34/33/183933433.db2.gz VXSLIWYQHMUSQC-SNVBAGLBSA-N 1 0 310.781 2.455 10 0 DEAERO CC(=O)NCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110820214 194361326 /nfs/dbraw/zinc/36/13/26/194361326.db2.gz IAWZTXMXXSEZNN-AWEZNQCLSA-N 1 0 311.223 2.032 10 0 DEAERO CN(CC1CCOCC1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000111159909 194398161 /nfs/dbraw/zinc/39/81/61/194398161.db2.gz SNPAFLHBTWRZPN-AWEZNQCLSA-N 1 0 302.340 2.462 10 0 DEAERO COCCOCCC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000058402697 184113253 /nfs/dbraw/zinc/11/32/53/184113253.db2.gz WTEORZWCJJUNTF-UHFFFAOYSA-N 1 0 318.211 2.297 10 0 DEAERO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CN1CCC[NH2+]CC1 ZINC000061273025 184167424 /nfs/dbraw/zinc/16/74/24/184167424.db2.gz SFTJXAPPIJZCJO-ZDUSSCGKSA-N 1 0 309.841 2.155 10 0 DEAERO Cc1ccc([C@H](Sc2n[nH]c(=O)n2C2CC2)[C@@H](C)[NH3+])s1 ZINC000061594694 184176166 /nfs/dbraw/zinc/17/61/66/184176166.db2.gz WLCQLFYLHHVTTR-LDYMZIIASA-N 1 0 310.448 2.457 10 0 DEAERO CCn1c(S[C@@H](c2ccc(Cl)cc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594194 184176242 /nfs/dbraw/zinc/17/62/42/184176242.db2.gz DSUUUGMFNQHTFV-GZMMTYOYSA-N 1 0 312.826 2.425 10 0 DEAERO CCCn1c(S[C@H](CC(N)=[NH2+])c2ccccc2)n[nH]c1=O ZINC000061595731 184176677 /nfs/dbraw/zinc/17/66/77/184176677.db2.gz TXAIMPRYEFFSAS-LLVKDONJSA-N 1 0 305.407 2.141 10 0 DEAERO CCc1ccc(OCC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061605791 184177217 /nfs/dbraw/zinc/17/72/17/184177217.db2.gz CBCYTYRYMRJDIL-UHFFFAOYSA-N 1 0 302.418 2.325 10 0 DEAERO O=C(c1ccc(Br)o1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605924 184177529 /nfs/dbraw/zinc/17/75/29/184177529.db2.gz BTWMFVZXWJVAEF-UHFFFAOYSA-N 1 0 313.195 2.352 10 0 DEAERO CC[NH2+]Cc1cccc(Br)c1O[C@@H](CC)C(N)=O ZINC000061675986 184181682 /nfs/dbraw/zinc/18/16/82/184181682.db2.gz JKUDBJSJBODUTP-NSHDSACASA-N 1 0 315.211 2.201 10 0 DEAERO CC[C@H](Oc1ccc(Br)cc1[C@@H](C)[NH2+]C)C(N)=O ZINC000061676072 184181921 /nfs/dbraw/zinc/18/19/21/184181921.db2.gz BJXHBNBKGDMTNX-KCJUWKMLSA-N 1 0 315.211 2.372 10 0 DEAERO C[NH+](C)C[C@@H](O)CNc1cc(Br)ccc1Cl ZINC000061691229 184183125 /nfs/dbraw/zinc/18/31/25/184183125.db2.gz BAUALOSCFDYIEE-VIFPVBQESA-N 1 0 307.619 2.437 10 0 DEAERO COc1ccc(Br)cc1[C@H]([NH3+])C[C@@H](C)CC(N)=O ZINC000061830214 184188891 /nfs/dbraw/zinc/18/88/91/184188891.db2.gz ZDUJJEUIJNGLAD-LDYMZIIASA-N 1 0 315.211 2.359 10 0 DEAERO [NH3+]C[C@H](c1ccc(F)c(Br)c1)N1CCCOCC1 ZINC000061916546 184195000 /nfs/dbraw/zinc/19/50/00/184195000.db2.gz XZGWKGBGXAJZOS-CYBMUJFWSA-N 1 0 317.202 2.310 10 0 DEAERO CC(C)[NH2+][C@@](C)(CCCC[N@@H+]1CCCO[C@@H](C)C1)C(=O)[O-] ZINC000061933431 184196838 /nfs/dbraw/zinc/19/68/38/184196838.db2.gz OEDHKNLYJBGTTQ-HOCLYGCPSA-N 1 0 300.443 2.109 10 0 DEAERO COCCCN(C)[C@H](C[NH3+])c1ccccc1Br ZINC000062029318 184202235 /nfs/dbraw/zinc/20/22/35/184202235.db2.gz DSKLTLJJQIQRPM-CYBMUJFWSA-N 1 0 301.228 2.417 10 0 DEAERO C[C@H](CNC(=O)c1cc(Cl)ccc1NN)C[NH+]1CCCC1 ZINC000062070901 184204520 /nfs/dbraw/zinc/20/45/20/184204520.db2.gz KTNKQKQEEMELCH-LLVKDONJSA-N 1 0 310.829 2.087 10 0 DEAERO COC(=O)CC[C@@H]([NH3+])Cc1ccc(F)c(Br)c1 ZINC000061893181 184192966 /nfs/dbraw/zinc/19/29/66/184192966.db2.gz IDJOGKQBEGPSKY-SECBINFHSA-N 1 0 304.159 2.411 10 0 DEAERO C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1C[NH3+] ZINC000062187551 184216801 /nfs/dbraw/zinc/21/68/01/184216801.db2.gz RECPYSSPBMHQFX-CYBMUJFWSA-N 1 0 304.415 2.055 10 0 DEAERO C[NH+](C)CCCCC(=O)NCc1ccccc1-n1cccn1 ZINC000554758981 291779638 /nfs/dbraw/zinc/77/96/38/291779638.db2.gz XGSVYDVTHMOATH-UHFFFAOYSA-N 1 0 300.406 2.220 10 0 DEAERO CCC[NH2+]C[C@H](Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000062337382 184230928 /nfs/dbraw/zinc/23/09/28/184230928.db2.gz KVXCPWGFCCGKHB-STQMWFEESA-N 1 0 316.492 2.045 10 0 DEAERO Cc1ncc(C[C@@H](C[NH2+]C(C)C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000062337385 184231239 /nfs/dbraw/zinc/23/12/39/184231239.db2.gz ZJSFWHMJOBRCRJ-STQMWFEESA-N 1 0 316.492 2.043 10 0 DEAERO CCOC(=O)COc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000062703964 184248717 /nfs/dbraw/zinc/24/87/17/184248717.db2.gz NVVPDIMBKCHVGQ-VIFPVBQESA-N 1 0 316.195 2.281 10 0 DEAERO COc1cccc(C[NH2+]C(C)(C)C)c1OCCS(C)(=O)=O ZINC000062732193 184251029 /nfs/dbraw/zinc/25/10/29/184251029.db2.gz XRWNJWZFTQKPEA-UHFFFAOYSA-N 1 0 315.435 2.007 10 0 DEAERO CC[C@@]1(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CCC[NH2+]C1 ZINC000062855335 184256738 /nfs/dbraw/zinc/25/67/38/184256738.db2.gz YEEUTJWCUSHTEN-OAHLLOKOSA-N 1 0 309.797 2.157 10 0 DEAERO CC[NH2+][C@@H](CCSc1cccc(Br)c1)C(N)=O ZINC000062604194 184244796 /nfs/dbraw/zinc/24/47/96/184244796.db2.gz MEPTUTAGMYLBGB-NSHDSACASA-N 1 0 317.252 2.395 10 0 DEAERO C[NH2+]Cc1ccc(OCCC(=O)N(C)C)c(Br)c1 ZINC000062700704 184247488 /nfs/dbraw/zinc/24/74/88/184247488.db2.gz PLBXUCZFBWAHGY-UHFFFAOYSA-N 1 0 315.211 2.026 10 0 DEAERO CN(C)S(=O)(=O)c1ccc(N[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000063214775 184278718 /nfs/dbraw/zinc/27/87/18/184278718.db2.gz WIEKOVDVHFLKOT-HUUCEWRRSA-N 1 0 311.451 2.009 10 0 DEAERO CN(C)S(=O)(=O)c1ccccc1N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063214822 184278917 /nfs/dbraw/zinc/27/89/17/184278917.db2.gz YBXBFFZVIPAJNQ-STQMWFEESA-N 1 0 311.451 2.009 10 0 DEAERO C[NH+](C)[C@H]1CCN(CC(=O)c2sccc2Br)C1 ZINC000062966753 184262917 /nfs/dbraw/zinc/26/29/17/184262917.db2.gz HYNLCCDGVTZLEF-VIFPVBQESA-N 1 0 317.252 2.329 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(C(N)=S)cc2F)C1 ZINC000062980066 184264527 /nfs/dbraw/zinc/26/45/27/184264527.db2.gz QPWXPGGRSUDWFS-CQSZACIVSA-N 1 0 309.454 2.376 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnc(NC)c(Cl)c2)C1 ZINC000062984837 184264768 /nfs/dbraw/zinc/26/47/68/184264768.db2.gz BHXCQZFOSJLCGA-LBPRGKRZSA-N 1 0 310.829 2.333 10 0 DEAERO Nc1ncc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000062984979 184265120 /nfs/dbraw/zinc/26/51/20/184265120.db2.gz PZDGKBXBHIAFDI-GFCCVEGCSA-N 1 0 308.813 2.018 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)Cc1nc(C)cs1 ZINC000063017344 184266969 /nfs/dbraw/zinc/26/69/69/184266969.db2.gz NNENZRJPTDAUBI-LBPRGKRZSA-N 1 0 304.481 2.187 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)Cc1ccccc1OC ZINC000063017064 184267100 /nfs/dbraw/zinc/26/71/00/184267100.db2.gz AXGTXQJYQODGCR-HNNXBMFYSA-N 1 0 313.463 2.431 10 0 DEAERO C[C@@]([NH3+])(CCCS(C)(=O)=O)c1cccc(Br)c1 ZINC000063016354 184267169 /nfs/dbraw/zinc/26/71/69/184267169.db2.gz NTZCKNLVFUEKIV-GFCCVEGCSA-N 1 0 320.252 2.448 10 0 DEAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 ZINC000063138687 184273213 /nfs/dbraw/zinc/27/32/13/184273213.db2.gz PGQZWVSWKCZPJD-CYBMUJFWSA-N 1 0 314.426 2.224 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1Br ZINC000063174176 184276097 /nfs/dbraw/zinc/27/60/97/184276097.db2.gz SEOLCUFNXVZXGK-MNOVXSKESA-N 1 0 301.159 2.198 10 0 DEAERO O=S(=O)(C1CCCCC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063189818 184277172 /nfs/dbraw/zinc/27/71/72/184277172.db2.gz OGMYRGOZCGFNNH-GJZGRUSLSA-N 1 0 300.468 2.255 10 0 DEAERO COc1ccc([C@H](C)NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000112560979 194486638 /nfs/dbraw/zinc/48/66/38/194486638.db2.gz ZQQMBXITSFUUAL-AAEUAGOBSA-N 1 0 306.381 2.401 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000159092902 197327023 /nfs/dbraw/zinc/32/70/23/197327023.db2.gz YAPGYVXHMKOYGO-NSHDSACASA-N 1 0 300.786 2.349 10 0 DEAERO C[NH2+]CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2)c1 ZINC000066225866 184397721 /nfs/dbraw/zinc/39/77/21/184397721.db2.gz FLWMVJAVDQZOCM-CYBMUJFWSA-N 1 0 311.385 2.336 10 0 DEAERO COC(=O)c1ccc(NC[C@H](CC(C)C)[NH+](C)C)nc1OC ZINC000185699156 207366998 /nfs/dbraw/zinc/36/69/98/207366998.db2.gz BTMNQIPIKNRDRD-LBPRGKRZSA-N 1 0 309.410 2.265 10 0 DEAERO COc1cccc(SC[C@]([NH2+]C(C)C)(C(N)=O)C2CC2)c1 ZINC000069186410 184503223 /nfs/dbraw/zinc/50/32/23/184503223.db2.gz LVSSWBHGGQDVEW-MRXNPFEDSA-N 1 0 308.447 2.419 10 0 DEAERO C[C@H](CC(=O)NC[C@H](O)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000151450596 196682467 /nfs/dbraw/zinc/68/24/67/196682467.db2.gz HPVLFSMNHXLVBN-WBMJQRKESA-N 1 0 308.397 2.001 10 0 DEAERO C[C@@H](NC(=O)N1CCC[C@H]1c1cnn(C)c1)C(C)(C)C[NH+](C)C ZINC000119553322 194992143 /nfs/dbraw/zinc/99/21/43/194992143.db2.gz QDEIQJDBWVJVHK-HIFRSBDPSA-N 1 0 321.469 2.243 10 0 DEAERO CN1CCN(C(=O)CC2CC[NH+](CCC3CCCC3)CC2)CC1 ZINC000119613091 195002250 /nfs/dbraw/zinc/00/22/50/195002250.db2.gz KSBNJYLWAAIBKN-UHFFFAOYSA-N 1 0 321.509 2.443 10 0 DEAERO CCC[C@@H](C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1)[NH+](C)C ZINC000120063719 195090249 /nfs/dbraw/zinc/09/02/49/195090249.db2.gz AQWXWNZBMSFUIF-DOMZBBRYSA-N 1 0 321.421 2.329 10 0 DEAERO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)CCCC(F)(F)F ZINC000213815514 296361076 /nfs/dbraw/zinc/36/10/76/296361076.db2.gz XBLDXZMWZYMSSY-GHMZBOCLSA-N 1 0 316.389 2.156 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)c2ccccc21 ZINC000186415127 285071110 /nfs/dbraw/zinc/07/11/10/285071110.db2.gz GAOOTMWSRJDSKK-BPUTZDHNSA-N 1 0 321.442 2.452 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(-c2ccncc2)on1 ZINC000120141640 195104628 /nfs/dbraw/zinc/10/46/28/195104628.db2.gz AKDKQZKNROBDKB-ZDUSSCGKSA-N 1 0 314.389 2.341 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cccc(Cn2ccnc2)c1 ZINC000270262557 208330013 /nfs/dbraw/zinc/33/00/13/208330013.db2.gz RUHXSZOUQLVGEP-GASCZTMLSA-N 1 0 312.417 2.096 10 0 DEAERO CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C1CCS(=O)CC1 ZINC000159201894 197335273 /nfs/dbraw/zinc/33/52/73/197335273.db2.gz OTIDKKLAIRFYID-LTWWHTJUSA-N 1 0 300.512 2.242 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCCc2nc(C3CC3)no2)[C@@H](C)C1 ZINC000159105091 197327628 /nfs/dbraw/zinc/32/76/28/197327628.db2.gz WAKUKYQELZPOIK-JSGCOSHPSA-N 1 0 320.437 2.115 10 0 DEAERO CC[C@@H](C)N(C)S(=O)(=O)c1cc(C)c(F)c(C[NH2+]C)c1 ZINC000159065530 197323687 /nfs/dbraw/zinc/32/36/87/197323687.db2.gz QGIYSLARDNRQJV-LLVKDONJSA-N 1 0 302.415 2.273 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)C2CC2)cc(C[NH2+]C2CC2)c1F ZINC000159061243 197323258 /nfs/dbraw/zinc/32/32/58/197323258.db2.gz JTMZFKIEYPXTKT-UHFFFAOYSA-N 1 0 312.410 2.169 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCCC2)cc(C)c1F ZINC000159047669 197321482 /nfs/dbraw/zinc/32/14/82/197321482.db2.gz KMRKKUZFKNXMFH-UHFFFAOYSA-N 1 0 300.399 2.028 10 0 DEAERO Cc1cc(C[C@@H](C)[NH3+])cnc1Sc1nnc(N(C)C)s1 ZINC000158964249 197315173 /nfs/dbraw/zinc/31/51/73/197315173.db2.gz HBDDJJIQABBMAJ-SECBINFHSA-N 1 0 309.464 2.348 10 0 DEAERO O=C1NCCCC[C@@H]1[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000120233555 195124516 /nfs/dbraw/zinc/12/45/16/195124516.db2.gz PUEGCYUODPKSKD-INIZCTEOSA-N 1 0 305.397 2.371 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000540919891 285138132 /nfs/dbraw/zinc/13/81/32/285138132.db2.gz HWQTWPWPYORFSE-UHFFFAOYSA-N 1 0 324.384 2.256 10 0 DEAERO CC(C)Oc1nc(Cl)nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000158584400 197286067 /nfs/dbraw/zinc/28/60/67/197286067.db2.gz CWOOSFSJKGFWHW-WDEREUQCSA-N 1 0 311.817 2.351 10 0 DEAERO CCOCCN(C)c1cc(Br)ccc1CC[NH3+] ZINC000158461363 197273674 /nfs/dbraw/zinc/27/36/74/197273674.db2.gz RWVBKNYMBSJPKA-UHFFFAOYSA-N 1 0 301.228 2.423 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCOc3ccc(F)cc3)[C@@H]2C1 ZINC000158429467 197272471 /nfs/dbraw/zinc/27/24/71/197272471.db2.gz MZRITLBEQJOLMV-ZACQAIPSSA-N 1 0 309.381 2.473 10 0 DEAERO CCN1CC[C@@H](NC(=O)[C@@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000158200093 197252531 /nfs/dbraw/zinc/25/25/31/197252531.db2.gz SZUYHMYZKJBIJM-FZQKWOKYSA-N 1 0 313.804 2.078 10 0 DEAERO C[C@@H](CC[NH3+])S(=O)(=O)Cc1cccc(F)c1Br ZINC000158000060 197234225 /nfs/dbraw/zinc/23/42/25/197234225.db2.gz BAHXVGSBEDMZAO-QMMMGPOBSA-N 1 0 324.215 2.240 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2O[C@@H]2CCOC2)C1 ZINC000120300085 195138477 /nfs/dbraw/zinc/13/84/77/195138477.db2.gz NUPYAMOTQOQFTL-ZIAGYGMSSA-N 1 0 319.405 2.022 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1[C@@H](O)C1(C)CC1 ZINC000157817611 197217984 /nfs/dbraw/zinc/21/79/84/197217984.db2.gz XVTNYVXCHPYXMW-LLVKDONJSA-N 1 0 302.216 2.041 10 0 DEAERO CCOC(C[NH2+]Cc1cncc(Br)c1)OCC ZINC000157844825 197219378 /nfs/dbraw/zinc/21/93/78/197219378.db2.gz ROTDDJSHSMHUQX-UHFFFAOYSA-N 1 0 303.200 2.333 10 0 DEAERO CCOCCN(C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000157720644 197209809 /nfs/dbraw/zinc/20/98/09/197209809.db2.gz VHPWGBSVSUSVIU-ZDUSSCGKSA-N 1 0 301.228 2.417 10 0 DEAERO CC(C)OCC[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000157493877 197191804 /nfs/dbraw/zinc/19/18/04/197191804.db2.gz FMHWLDLBICEDJY-INIZCTEOSA-N 1 0 300.443 2.109 10 0 DEAERO CCCN[C@](C)(C[C@H](C)[N@H+](C)CCOCC)C(=O)OCC ZINC000157474486 197189593 /nfs/dbraw/zinc/18/95/93/197189593.db2.gz OWVMEWMTOGJCAC-GOEBONIOSA-N 1 0 302.459 2.055 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000157431857 197186996 /nfs/dbraw/zinc/18/69/96/197186996.db2.gz FJGHGMPSIVHLKU-QAPCUYQASA-N 1 0 323.481 2.196 10 0 DEAERO COC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C1CC1 ZINC000157208567 197170010 /nfs/dbraw/zinc/17/00/10/197170010.db2.gz JZNMFHJOMWLISF-JKSUJKDBSA-N 1 0 305.422 2.014 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@H](OC)CC2)CC1 ZINC000360999287 285184270 /nfs/dbraw/zinc/18/42/70/285184270.db2.gz NWCWNFOCDAIYDX-INIZCTEOSA-N 1 0 311.470 2.319 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)NCCOc1ccccc1Cl ZINC000541827919 285187090 /nfs/dbraw/zinc/18/70/90/285187090.db2.gz XBVBUJUGQSSDGZ-UHFFFAOYSA-N 1 0 313.829 2.312 10 0 DEAERO Cn1nncc1[C@H]([NH3+])c1cc(Br)ccc1Cl ZINC000157044016 197158193 /nfs/dbraw/zinc/15/81/93/197158193.db2.gz XYYMCOZQEBDUEY-SNVBAGLBSA-N 1 0 301.575 2.279 10 0 DEAERO Cc1cc(C)nc(NS(=O)(=O)Cc2ccccc2C[NH3+])c1 ZINC000156937156 197151147 /nfs/dbraw/zinc/15/11/47/197151147.db2.gz RKHUNIRFVCWEHY-UHFFFAOYSA-N 1 0 305.403 2.099 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc3c2OCCC3=O)C1 ZINC000541878490 285194343 /nfs/dbraw/zinc/19/43/43/285194343.db2.gz YCZZCQUNYGAFOW-LBPRGKRZSA-N 1 0 317.389 2.115 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1F ZINC000156805930 197142106 /nfs/dbraw/zinc/14/21/06/197142106.db2.gz QHOTWRVZYUSHBI-ZFWWWQNUSA-N 1 0 323.412 2.167 10 0 DEAERO C[C@](O)(Cc1cccc(C(F)(F)F)c1)C[C@@H]1COCC[NH2+]1 ZINC000156777999 197140648 /nfs/dbraw/zinc/14/06/48/197140648.db2.gz XODUCFHAOXANQH-KGLIPLIRSA-N 1 0 303.324 2.377 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1CNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000156697851 197133770 /nfs/dbraw/zinc/13/37/70/197133770.db2.gz BUXKMHHYFIFWAO-CMPLNLGQSA-N 1 0 302.296 2.442 10 0 DEAERO 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UDCMIGIBFBXWBG-HOTGVXAUSA-N 1 0 314.433 2.244 10 0 DEAERO Cc1ccc([C@@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)CCO2)o1 ZINC000194806682 132541582 /nfs/dbraw/zinc/54/15/82/132541582.db2.gz RSCIINAZFSEHHI-KRWDZBQOSA-N 1 0 318.417 2.362 10 0 DEAERO Cc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c2ccccc2n1 ZINC000263245761 132579304 /nfs/dbraw/zinc/57/93/04/132579304.db2.gz PGKUUJDHUQEQAD-OAHLLOKOSA-N 1 0 309.373 2.169 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc([C@@]2(C)CCc3ccccc3C2)n1 ZINC000263316727 132582064 /nfs/dbraw/zinc/58/20/64/132582064.db2.gz ZNQQNEMVVPYUSU-YJBOKZPZSA-N 1 0 312.417 2.092 10 0 DEAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2cn[nH]c2)C1 ZINC000357775116 133099581 /nfs/dbraw/zinc/09/95/81/133099581.db2.gz WKVGTSGFXXTQHN-AWEZNQCLSA-N 1 0 321.469 2.152 10 0 DEAERO COc1ccccc1CCNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358192670 133127282 /nfs/dbraw/zinc/12/72/82/133127282.db2.gz ITECDHBLDYHWEO-UHFFFAOYSA-N 1 0 317.433 2.189 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)Oc1cccc(OC)c1 ZINC000359606295 133134136 /nfs/dbraw/zinc/13/41/36/133134136.db2.gz WFZHUJFFUJERRM-RHSMWYFYSA-N 1 0 320.433 2.453 10 0 DEAERO Cc1ccc(NC(=O)c2cccc3ncnn32)c(C[NH+](C)C)c1 ZINC000359812421 133146635 /nfs/dbraw/zinc/14/66/35/133146635.db2.gz RCMTVUARIBXKEU-UHFFFAOYSA-N 1 0 309.373 2.352 10 0 DEAERO C[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360430296 133181842 /nfs/dbraw/zinc/18/18/42/133181842.db2.gz PGUDDGAWAZSUHW-YALNPMBYSA-N 1 0 301.434 2.462 10 0 DEAERO c1ccc(OC[C@H]2CN(CC[NH+]3CCCCC3)CCO2)cc1 ZINC000361987711 133203151 /nfs/dbraw/zinc/20/31/51/133203151.db2.gz UJBDWSWZRYOFAE-GOSISDBHSA-N 1 0 304.434 2.252 10 0 DEAERO CCN(C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCOC1 ZINC000362017359 133205310 /nfs/dbraw/zinc/20/53/10/133205310.db2.gz UKXKNLUQCFQUJQ-HOTGVXAUSA-N 1 0 309.454 2.071 10 0 DEAERO COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000362462645 133231788 /nfs/dbraw/zinc/23/17/88/133231788.db2.gz GWPWPICEGALJDU-UONOGXRCSA-N 1 0 322.405 2.074 10 0 DEAERO c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000368091974 133259691 /nfs/dbraw/zinc/25/96/91/133259691.db2.gz YLGBZXSBWGXMQH-INIZCTEOSA-N 1 0 307.401 2.302 10 0 DEAERO CCOCCCNC(=[NH2+])NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000368182940 133263601 /nfs/dbraw/zinc/26/36/01/133263601.db2.gz GEUBYVKYMBJOCG-CVEARBPZSA-N 1 0 305.422 2.447 10 0 DEAERO CC(C)n1cc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)nn1 ZINC000377380779 133328193 /nfs/dbraw/zinc/32/81/93/133328193.db2.gz FBJAQUGEAXVEGZ-GFCCVEGCSA-N 1 0 320.828 2.276 10 0 DEAERO c1csc(-c2noc(CN3CC[C@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000563810724 292074484 /nfs/dbraw/zinc/07/44/84/292074484.db2.gz LHCFHFMGWICQIY-OAHLLOKOSA-N 1 0 304.419 2.374 10 0 DEAERO c1c2cccnc2oc1CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000564041498 292083692 /nfs/dbraw/zinc/08/36/92/292083692.db2.gz BJJFMKFFZPAWBL-AWEZNQCLSA-N 1 0 315.417 2.418 10 0 DEAERO Cc1ccc(C[N@H+](CCO)CCOCC(F)(F)F)c(C)n1 ZINC000187029085 292098485 /nfs/dbraw/zinc/09/84/85/292098485.db2.gz IJGRUQCNJVPFEH-UHFFFAOYSA-N 1 0 306.328 2.072 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H](C)Cc2cccc(O)c2)CC1 ZINC000564613809 292101478 /nfs/dbraw/zinc/10/14/78/292101478.db2.gz AUEPKOJGDUJLNS-OAHLLOKOSA-N 1 0 317.433 2.274 10 0 DEAERO c1ccc(CN2CC[C@H]([NH2+]C[C@H]3COCCO3)CC23CC3)cc1 ZINC000564958432 292123466 /nfs/dbraw/zinc/12/34/66/292123466.db2.gz HXNBOZCRMHSUAF-ROUUACIJSA-N 1 0 316.445 2.189 10 0 DEAERO Fc1ccccc1OCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000109819210 144629283 /nfs/dbraw/zinc/62/92/83/144629283.db2.gz UXPUUXXCJCAJBK-INIZCTEOSA-N 1 0 322.424 2.391 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CCCOC2)C1 ZINC000171596848 144810865 /nfs/dbraw/zinc/81/08/65/144810865.db2.gz BOGXBFCLDJJHMU-BZUAXINKSA-N 1 0 311.470 2.223 10 0 DEAERO COc1ccccc1OCCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186552353 144984986 /nfs/dbraw/zinc/98/49/86/144984986.db2.gz MVKIGLVIQJZOMA-CQSZACIVSA-N 1 0 318.417 2.207 10 0 DEAERO O=C(N[C@H]1CCC[C@@H]1CCO)N1CCC(C[NH+]2CCCC2)CC1 ZINC000188445684 145012117 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O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccoc1 ZINC000189011524 145021042 /nfs/dbraw/zinc/02/10/42/145021042.db2.gz URKBRWADTHZFON-IUODEOHRSA-N 1 0 306.312 2.433 10 0 DEAERO CCc1n[nH]c(C2CCN(c3nc(C)nc(C)c3C)CC2)n1 ZINC000189603772 145030554 /nfs/dbraw/zinc/03/05/54/145030554.db2.gz DECKVWNGAGQAMP-UHFFFAOYSA-N 1 0 300.410 2.466 10 0 DEAERO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N(C)C ZINC000190432363 145042291 /nfs/dbraw/zinc/04/22/91/145042291.db2.gz SGJAZEXYASYVED-VIFPVBQESA-N 1 0 315.211 2.197 10 0 DEAERO C[C@H]1CC[C@H](C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)O1 ZINC000190525274 145043707 /nfs/dbraw/zinc/04/37/07/145043707.db2.gz TXHVSGALOYFZHP-DZGCQCFKSA-N 1 0 320.437 2.022 10 0 DEAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000190644036 145045523 /nfs/dbraw/zinc/04/55/23/145045523.db2.gz VOVITRLYMZJLPR-WBVHZDCISA-N 1 0 319.449 2.035 10 0 DEAERO O=C(c1ccn(-c2ccccc2)n1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190737133 145047383 /nfs/dbraw/zinc/04/73/83/145047383.db2.gz KIXGBCSDSAKLIK-AWEZNQCLSA-N 1 0 310.401 2.229 10 0 DEAERO CCOC1CC(CCNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000191059758 145052309 /nfs/dbraw/zinc/05/23/09/145052309.db2.gz PLLKOQCDBPNHDC-LBDPXKHJSA-N 1 0 311.470 2.220 10 0 DEAERO O[C@@H](CC1CCCC1)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000191333942 145056276 /nfs/dbraw/zinc/05/62/76/145056276.db2.gz YLVSMMJHBRPYHW-INIZCTEOSA-N 1 0 304.438 2.294 10 0 DEAERO COc1ccc(C[C@@H](C)C[N@@H+]2CCCN(C)C(=O)C2)cc1F ZINC000191664376 145062097 /nfs/dbraw/zinc/06/20/97/145062097.db2.gz RDSQPSAHKHGHTA-CYBMUJFWSA-N 1 0 308.397 2.177 10 0 DEAERO C[C@@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C(C)(C)C ZINC000192182278 145071317 /nfs/dbraw/zinc/07/13/17/145071317.db2.gz GXXXBGBHAFWZJH-OAHLLOKOSA-N 1 0 324.513 2.090 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000192645265 145076798 /nfs/dbraw/zinc/07/67/98/145076798.db2.gz UMGGWNIGYZDIHD-CQSZACIVSA-N 1 0 320.433 2.237 10 0 DEAERO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192720527 145077787 /nfs/dbraw/zinc/07/77/87/145077787.db2.gz AMKFGMAYSHIAAF-WDEREUQCSA-N 1 0 322.430 2.277 10 0 DEAERO Cc1csc2c1ncnc2N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000192779323 145079175 /nfs/dbraw/zinc/07/91/75/145079175.db2.gz PFTUTMLXVPZEMG-CYBMUJFWSA-N 1 0 319.478 2.438 10 0 DEAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)NCCc1ccc(F)cc1 ZINC000193128692 145082957 /nfs/dbraw/zinc/08/29/57/145082957.db2.gz WMHQSRWFQYLASL-HEHGZKQESA-N 1 0 308.397 2.030 10 0 DEAERO C[C@H](NC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000193604231 145088181 /nfs/dbraw/zinc/08/81/81/145088181.db2.gz FYYRHZATQQECMC-AEGPPILISA-N 1 0 321.852 2.011 10 0 DEAERO CCc1ccc2c(CN3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc(=O)oc2c1 ZINC000193648926 145089049 /nfs/dbraw/zinc/08/90/49/145089049.db2.gz FJWLISPPEUAIMK-IYBDPMFKSA-N 1 0 312.413 2.349 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000246300466 145097698 /nfs/dbraw/zinc/09/76/98/145097698.db2.gz VFGACBOMCKLDIW-FHLIZLRMSA-N 1 0 315.461 2.325 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ncccc1C ZINC000246307201 145097941 /nfs/dbraw/zinc/09/79/41/145097941.db2.gz NKPOIAYNGYQGPR-CABCVRRESA-N 1 0 302.422 2.158 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1nc(C)cs1 ZINC000246338177 145099688 /nfs/dbraw/zinc/09/96/88/145099688.db2.gz ORSMIMGMMBSZJR-OLZOCXBDSA-N 1 0 308.451 2.220 10 0 DEAERO Cc1ccc(NC(=O)[C@H](C)N2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000246367673 145100114 /nfs/dbraw/zinc/10/01/14/145100114.db2.gz NTROCMZVJVNXNO-RDJZCZTQSA-N 1 0 301.434 2.410 10 0 DEAERO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246391706 145101305 /nfs/dbraw/zinc/10/13/05/145101305.db2.gz PIVXPNPRNFTMSG-BBRMVZONSA-N 1 0 321.852 2.125 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-n3ccnc3)nc2)[C@@H](C)C1 ZINC000246402969 145101739 /nfs/dbraw/zinc/10/17/39/145101739.db2.gz AOXWVKZEGZIEHL-RDJZCZTQSA-N 1 0 313.449 2.429 10 0 DEAERO COCCOc1ccccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246471630 145103415 /nfs/dbraw/zinc/10/34/15/145103415.db2.gz OLULKYLOWYDASP-WBVHZDCISA-N 1 0 323.458 2.418 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NC(C)(C)C ZINC000246459552 145103642 /nfs/dbraw/zinc/10/36/42/145103642.db2.gz FSRMZDHOOLRDID-UKRRQHHQSA-N 1 0 304.438 2.390 10 0 DEAERO Cc1cnc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000246480206 145103843 /nfs/dbraw/zinc/10/38/43/145103843.db2.gz HPPUQTJBSPIWLS-KGYLQXTDSA-N 1 0 308.451 2.391 10 0 DEAERO Cc1ccccc1[C@H](C)CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246722442 145112225 /nfs/dbraw/zinc/11/22/25/145112225.db2.gz LNOACOHUCHTWNS-IXDOHACOSA-N 1 0 318.461 2.402 10 0 DEAERO Cc1ccc(CCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(C)c1 ZINC000246725741 145112275 /nfs/dbraw/zinc/11/22/75/145112275.db2.gz LUXCHKRVYHYGKT-IRXDYDNUSA-N 1 0 318.461 2.150 10 0 DEAERO CCCN(CCC)C(=O)CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246782089 145114367 /nfs/dbraw/zinc/11/43/67/145114367.db2.gz BEYHPDZSJHYGMS-HZPDHXFCSA-N 1 0 323.481 2.110 10 0 DEAERO Cn1cc([C@H]2CC[N@@H+]([C@@H](C(=O)NC3CC3)c3ccccc3)C2)cn1 ZINC000246822400 145115609 /nfs/dbraw/zinc/11/56/09/145115609.db2.gz CAJKHLSXGNXGPO-MAUKXSAKSA-N 1 0 324.428 2.229 10 0 DEAERO CCc1nc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cs1 ZINC000246829925 145115790 /nfs/dbraw/zinc/11/57/90/145115790.db2.gz DSYZMILGXDMBSU-DGCLKSJQSA-N 1 0 310.467 2.233 10 0 DEAERO CC[C@@H]1CN(C(=O)c2ccc(C)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000246899751 145118154 /nfs/dbraw/zinc/11/81/54/145118154.db2.gz PKLGTZFJLJICGW-JKSUJKDBSA-N 1 0 304.434 2.221 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCOc2ccccc2F)C1 ZINC000246980818 145121655 /nfs/dbraw/zinc/12/16/55/145121655.db2.gz GHQLHSHDTVJDFZ-DZGCQCFKSA-N 1 0 308.397 2.440 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000246987535 145121960 /nfs/dbraw/zinc/12/19/60/145121960.db2.gz FDAXNRLZOHVTHZ-ABAIWWIYSA-N 1 0 309.360 2.072 10 0 DEAERO Cc1cc(C)cc(OC[C@H](O)CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000246995612 145122403 /nfs/dbraw/zinc/12/24/03/145122403.db2.gz FIRMDSIRGYEODF-KZNAEPCWSA-N 1 0 318.461 2.212 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)[C@H](C)Sc2ccccn2)C1 ZINC000247044844 145124609 /nfs/dbraw/zinc/12/46/09/145124609.db2.gz IDAMVOPVYAMWHF-MELADBBJSA-N 1 0 307.463 2.407 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2Oc3ccccc3[C@@H]2C)C1 ZINC000247042255 145124682 /nfs/dbraw/zinc/12/46/82/145124682.db2.gz YIMUCNBKJZQXNT-ZQIUZPCESA-N 1 0 302.418 2.351 10 0 DEAERO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247181296 145127975 /nfs/dbraw/zinc/12/79/75/145127975.db2.gz VXHUVOXPFVLRIL-ULQDDVLXSA-N 1 0 323.481 2.317 10 0 DEAERO O=C(NC[C@@H]1CCOc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247235221 145129885 /nfs/dbraw/zinc/12/98/85/145129885.db2.gz DHBRXNQQOMPBPE-GJZGRUSLSA-N 1 0 315.417 2.042 10 0 DEAERO c1cc(N2CCCC2)ncc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247256025 145130785 /nfs/dbraw/zinc/13/07/85/145130785.db2.gz XKQGTEATUOLMCR-CVEARBPZSA-N 1 0 319.474 2.388 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-n4ccnc4)nc3)CC[C@H]21 ZINC000247282718 145131252 /nfs/dbraw/zinc/13/12/52/145131252.db2.gz SXTDSKBMPIJIGY-IAGOWNOFSA-N 1 0 311.433 2.183 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000247297896 145132123 /nfs/dbraw/zinc/13/21/23/145132123.db2.gz HVRNDMZGZOFSRI-WBMJQRKESA-N 1 0 316.405 2.345 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSC[C@H]2CCCCO2)C1 ZINC000247342180 145134232 /nfs/dbraw/zinc/13/42/32/145134232.db2.gz NPOYFLMVGMHTNO-KFWWJZLASA-N 1 0 314.495 2.134 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC000247396049 145136064 /nfs/dbraw/zinc/13/60/64/145136064.db2.gz XVWTVQQHZATTCC-CABCVRRESA-N 1 0 315.417 2.229 10 0 DEAERO Cc1ccc(C[C@H](C)NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000247401697 145136203 /nfs/dbraw/zinc/13/62/03/145136203.db2.gz RLHXTRJEVSPBGO-JSGCOSHPSA-N 1 0 307.463 2.477 10 0 DEAERO C[C@H](C(=O)N1CCC(c2cc[nH]n2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000247422638 145136660 /nfs/dbraw/zinc/13/66/60/145136660.db2.gz VAAZYIQFQIVCCD-MGPQQGTHSA-N 1 0 304.438 2.377 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3ccccc3F)CC[C@H]21 ZINC000247928227 145144421 /nfs/dbraw/zinc/14/44/21/145144421.db2.gz BUNUKBFSJQYPMI-DZGCQCFKSA-N 1 0 306.381 2.147 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3cccs3)CC[C@H]21 ZINC000247973819 145145025 /nfs/dbraw/zinc/14/50/25/145145025.db2.gz KBWBSCMPQKEVCW-UKRRQHHQSA-N 1 0 307.463 2.416 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)c3c(F)cccc3F)CC[C@@H]21 ZINC000248059915 145147915 /nfs/dbraw/zinc/14/79/15/145147915.db2.gz YBRDCWNSQIKDGS-UHOFOFEASA-N 1 0 310.388 2.414 10 0 DEAERO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)[C@H]1CCCO1 ZINC000248597295 145160966 /nfs/dbraw/zinc/16/09/66/145160966.db2.gz MTHKOMXLSMRGMF-FDQGKXFDSA-N 1 0 302.418 2.411 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248619460 145161479 /nfs/dbraw/zinc/16/14/79/145161479.db2.gz MQDDMIXDIPFLTN-DMDPSCGWSA-N 1 0 314.838 2.006 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2cnc(Cl)cn2)[C@H]1c1ccccc1 ZINC000248650738 145163273 /nfs/dbraw/zinc/16/32/73/145163273.db2.gz MELTYOQBDUSVQI-SWLSCSKDSA-N 1 0 316.792 2.305 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C/c3ccc4ccccc4n3)C[C@H]12 ZINC000248693599 145164373 /nfs/dbraw/zinc/16/43/73/145164373.db2.gz YGSCNADLCZAADZ-ZAQMKBFOSA-N 1 0 307.397 2.444 10 0 DEAERO Cc1cc(=O)[nH]c([C@H](C)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000248774917 145166666 /nfs/dbraw/zinc/16/66/66/145166666.db2.gz UDUYOSRBZHTIEB-ZNMIVQPWSA-N 1 0 304.438 2.499 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C)CC2 ZINC000248814150 145168739 /nfs/dbraw/zinc/16/87/39/145168739.db2.gz KUIOZGQHQFRLQQ-MGPQQGTHSA-N 1 0 306.454 2.337 10 0 DEAERO O=C1O[C@@H](C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)CC12CCC2 ZINC000248828684 145169519 /nfs/dbraw/zinc/16/95/19/145169519.db2.gz HPXGJGKAUMHQLG-HUUCEWRRSA-N 1 0 302.374 2.021 10 0 DEAERO CCC[C@H](C(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O)[NH+](C)C ZINC000248853766 145170246 /nfs/dbraw/zinc/17/02/46/145170246.db2.gz CVPCLDBAIPKEDZ-WDYCEAGBSA-N 1 0 320.477 2.463 10 0 DEAERO C[C@@H](NC(=O)[C@H]1CCOC[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000248840049 145170405 /nfs/dbraw/zinc/17/04/05/145170405.db2.gz FNVPUIMISCJKLL-JHNDHUHGSA-N 1 0 304.434 2.467 10 0 DEAERO COc1ccc(C[C@@H](C)CN2CCO[C@@H](C[NH+](C)C)C2)cc1F ZINC000248873485 145171557 /nfs/dbraw/zinc/17/15/57/145171557.db2.gz LAWNXUJGOYIKTD-ZBFHGGJFSA-N 1 0 324.440 2.275 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(-c3cnn(C)c3)no2)[C@@H](C)C1 ZINC000248975730 145174499 /nfs/dbraw/zinc/17/44/99/145174499.db2.gz HOYWZYIOBVSIEI-GUYCJALGSA-N 1 0 317.437 2.237 10 0 DEAERO COc1ccc([C@@H]2C[C@H](C)[N@@H+]([C@H](C)c3nnnn3C)C2)cc1 ZINC000249293377 145182436 /nfs/dbraw/zinc/18/24/36/145182436.db2.gz MQQHFMIXWRDKAW-OUCADQQQSA-N 1 0 301.394 2.158 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cncn2C)[C@H]1Oc1ccccc1 ZINC000249463077 145184831 /nfs/dbraw/zinc/18/48/31/145184831.db2.gz ROHQRAHOVBYPBU-GVDBMIGSSA-N 1 0 301.390 2.135 10 0 DEAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249898726 145192136 /nfs/dbraw/zinc/19/21/36/145192136.db2.gz SIVTTZCUNSJKGQ-GJZGRUSLSA-N 1 0 304.438 2.072 10 0 DEAERO CO[C@@H]1C[N@H+](CC(=O)NCc2cccc(Cl)c2)CC[C@@H]1C ZINC000251692850 145195618 /nfs/dbraw/zinc/19/56/18/145195618.db2.gz JNLVPAXAZOSGIS-SWLSCSKDSA-N 1 0 310.825 2.313 10 0 DEAERO COc1ccc(-c2noc(CN3CC[C@H](C)C[C@H]3C[NH3+])n2)cc1 ZINC000261608609 145209919 /nfs/dbraw/zinc/20/99/19/145209919.db2.gz ASGGYCRFBNTLCW-JSGCOSHPSA-N 1 0 316.405 2.304 10 0 DEAERO C[C@H](C(=O)N(C)Cc1ccccc1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261612614 145210498 /nfs/dbraw/zinc/21/04/98/145210498.db2.gz CIGDZHVUPPFWRH-ZBFHGGJFSA-N 1 0 303.450 2.093 10 0 DEAERO COc1c(Cl)cc(NC(=O)C2([NH3+])CCOCC2)cc1Cl ZINC000261668272 145215027 /nfs/dbraw/zinc/21/50/27/145215027.db2.gz BPSOJYZVLHEMPU-UHFFFAOYSA-N 1 0 319.188 2.448 10 0 DEAERO O=C(Nc1cccc(CNC2=[NH+]CCCN2)c1)C1CCCC1 ZINC000261727505 145220383 /nfs/dbraw/zinc/22/03/83/145220383.db2.gz GUVULJBCFWWEGW-UHFFFAOYSA-N 1 0 300.406 2.254 10 0 DEAERO Cc1c(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)[nH]c2c1C(=O)CCC2 ZINC000261752638 145222605 /nfs/dbraw/zinc/22/26/05/145222605.db2.gz DWALWFDGPBKIER-CYBMUJFWSA-N 1 0 303.406 2.042 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)O1 ZINC000261750534 145222839 /nfs/dbraw/zinc/22/28/39/145222839.db2.gz DTXMIEURHDAWRL-OIISXLGYSA-N 1 0 300.402 2.171 10 0 DEAERO CCOc1ccccc1NC(=O)[C@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261758029 145223121 /nfs/dbraw/zinc/22/31/21/145223121.db2.gz LORHHMXNHUVFDJ-XJKSGUPXSA-N 1 0 319.449 2.472 10 0 DEAERO C[C@H]([NH3+])CC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000261771325 145223996 /nfs/dbraw/zinc/22/39/96/145223996.db2.gz IUNPJMURVFVIED-QMMMGPOBSA-N 1 0 318.204 2.128 10 0 DEAERO Cc1cc(C)nc(N2CC[NH+](Cc3cccc4c3NCC4)CC2)n1 ZINC000261794434 145227264 /nfs/dbraw/zinc/22/72/64/145227264.db2.gz GLFNYCABZFSUCX-UHFFFAOYSA-N 1 0 323.444 2.384 10 0 DEAERO CC1(C)CN(C(=O)COc2ccc(F)cc2Cl)CC[C@@H]1[NH3+] ZINC000261796763 145227554 /nfs/dbraw/zinc/22/75/54/145227554.db2.gz GTYZAVMPIJMTBT-ZDUSSCGKSA-N 1 0 314.788 2.444 10 0 DEAERO c1cncc([C@@H]2C[NH2+]CCN2Cc2ccc(N3CCCC3)nc2)c1 ZINC000261810229 145229327 /nfs/dbraw/zinc/22/93/27/145229327.db2.gz MMIIUMTZIBIHCU-SFHVURJKSA-N 1 0 323.444 2.223 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261819258 145230411 /nfs/dbraw/zinc/23/04/11/145230411.db2.gz IFTYADLNZWZPMC-AAEUAGOBSA-N 1 0 305.447 2.159 10 0 DEAERO COc1ccc(-c2noc(CN3CC[C@@H]([NH3+])C(C)(C)C3)n2)cc1 ZINC000261821148 145230742 /nfs/dbraw/zinc/23/07/42/145230742.db2.gz HJSZXRKQSZPWOT-CQSZACIVSA-N 1 0 316.405 2.304 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000261836850 145232015 /nfs/dbraw/zinc/23/20/15/145232015.db2.gz VFUJREUXIRMXFT-FUNVUKJBSA-N 1 0 314.476 2.268 10 0 DEAERO CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261847126 145233181 /nfs/dbraw/zinc/23/31/81/145233181.db2.gz RDPXGYLFDSENEG-PXAZEXFGSA-N 1 0 316.401 2.460 10 0 DEAERO COCC1(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)CC[NH2+]CC1 ZINC000261849658 145233358 /nfs/dbraw/zinc/23/33/58/145233358.db2.gz JHMAEXPSWGDHGW-GFCCVEGCSA-N 1 0 324.396 2.028 10 0 DEAERO COCC1(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)CC[NH2+]CC1 ZINC000261849661 145233380 /nfs/dbraw/zinc/23/33/80/145233380.db2.gz JHMAEXPSWGDHGW-LBPRGKRZSA-N 1 0 324.396 2.028 10 0 DEAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261886230 145238144 /nfs/dbraw/zinc/23/81/44/145238144.db2.gz ZSWAVMHGZHFKIX-GVDBMIGSSA-N 1 0 304.434 2.394 10 0 DEAERO C[C@@H]1CCN(C(=O)c2cnc(-c3ccccn3)s2)[C@@H](C[NH3+])C1 ZINC000261897721 145239401 /nfs/dbraw/zinc/23/94/01/145239401.db2.gz VYNQHTZYYPOLJD-VXGBXAGGSA-N 1 0 316.430 2.405 10 0 DEAERO Cc1cc(C)n([C@@H](C)CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000261905103 145240114 /nfs/dbraw/zinc/24/01/14/145240114.db2.gz GXOZFTYXVVEKCT-LSVZVQIISA-N 1 0 304.438 2.192 10 0 DEAERO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261912193 145240958 /nfs/dbraw/zinc/24/09/58/145240958.db2.gz JEGINAMEVGPXIB-KSZLIROESA-N 1 0 304.434 2.332 10 0 DEAERO c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)C2 ZINC000261922047 145241675 /nfs/dbraw/zinc/24/16/75/145241675.db2.gz KLANFZKMQQRZSK-GUDVDZBRSA-N 1 0 300.446 2.148 10 0 DEAERO O=C(Cc1ccon1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261959205 145247003 /nfs/dbraw/zinc/24/70/03/145247003.db2.gz KTGXXJKHXOBOGK-CQSZACIVSA-N 1 0 305.765 2.044 10 0 DEAERO COc1cccc(CO[C@@H](C)C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261962224 145247065 /nfs/dbraw/zinc/24/70/65/145247065.db2.gz LATVZMVFHWHBHV-XJKSGUPXSA-N 1 0 320.433 2.186 10 0 DEAERO C[C@H](NC(=O)CN1CCC[C@H](C)[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000261959623 145247383 /nfs/dbraw/zinc/24/73/83/145247383.db2.gz ONDUXGVMNBWYOV-HEHGZKQESA-N 1 0 307.413 2.062 10 0 DEAERO COc1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)ccc1C ZINC000261970357 145247891 /nfs/dbraw/zinc/24/78/91/145247891.db2.gz QMWQBYXQMONTOM-KZNAEPCWSA-N 1 0 318.461 2.293 10 0 DEAERO Cc1cccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261983533 145250363 /nfs/dbraw/zinc/25/03/63/145250363.db2.gz ASIWEZPAVYQBTK-HDMKZQKVSA-N 1 0 302.418 2.144 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)CC1CCCC1 ZINC000262001385 145251802 /nfs/dbraw/zinc/25/18/02/145251802.db2.gz GHBHAANEFFATTF-DGKWVBSXSA-N 1 0 300.468 2.002 10 0 DEAERO O=C(CCOCC1CC1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262010748 145252803 /nfs/dbraw/zinc/25/28/03/145252803.db2.gz HKPCYHLZMWMXRS-UHFFFAOYSA-N 1 0 309.435 2.365 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)Oc1ccc(F)cc1 ZINC000262036137 145255467 /nfs/dbraw/zinc/25/54/67/145255467.db2.gz XZZUHVNNGBRWEK-RNJTYBCJSA-N 1 0 322.424 2.340 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000262038048 145256286 /nfs/dbraw/zinc/25/62/86/145256286.db2.gz BNESWCYLXAXITA-UHFFFAOYSA-N 1 0 300.406 2.254 10 0 DEAERO C[C@H]1CCCN(Cc2ccc3c(c2)sc(=O)n3C)[C@@H]1C[NH3+] ZINC000262047887 145256692 /nfs/dbraw/zinc/25/66/92/145256692.db2.gz ZGCHUBPPHRMIRT-SMDDNHRTSA-N 1 0 305.447 2.159 10 0 DEAERO O=C(CC1CCC(c2ccccc2)CC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262092833 145260389 /nfs/dbraw/zinc/26/03/89/145260389.db2.gz DFHAKIKEDWZCKH-XAWIXRBMSA-N 1 0 316.445 2.047 10 0 DEAERO Cc1ccc(-c2cc(C(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)[nH]n2)o1 ZINC000262086546 145261110 /nfs/dbraw/zinc/26/11/10/145261110.db2.gz UCTWATNLCCKQPH-CQSZACIVSA-N 1 0 302.378 2.178 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262094211 145261587 /nfs/dbraw/zinc/26/15/87/145261587.db2.gz YSSLEJQUZQEAKS-VXGBXAGGSA-N 1 0 318.808 2.335 10 0 DEAERO C[NH2+]CCC1CCN(C(=O)c2cccc(NC(C)=O)c2)CC1 ZINC000262110017 145263215 /nfs/dbraw/zinc/26/32/15/145263215.db2.gz UOJXRAHFDLPZHQ-UHFFFAOYSA-N 1 0 303.406 2.107 10 0 DEAERO [NH3+]C[C@@H]1CN(CC(=O)NC2CCCCC2)C[C@H]1c1ccccc1 ZINC000262155845 145266770 /nfs/dbraw/zinc/26/67/70/145266770.db2.gz GJPHFIYNWFSHOS-AEFFLSMTSA-N 1 0 315.461 2.110 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cc(Br)c[nH]c2=O)C1 ZINC000262281944 145273645 /nfs/dbraw/zinc/27/36/45/145273645.db2.gz LHPIVIACSHJOOP-APPZFPTMSA-N 1 0 314.183 2.006 10 0 DEAERO CCc1noc(CC)c1CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262329555 145277431 /nfs/dbraw/zinc/27/74/31/145277431.db2.gz DMTUUZSJHJSGNY-YVEFUNNKSA-N 1 0 305.422 2.195 10 0 DEAERO C[C@H](C(=O)NC(C)(C)c1nc(C(F)(F)F)cs1)C1C[NH2+]C1 ZINC000262339160 145278041 /nfs/dbraw/zinc/27/80/41/145278041.db2.gz FJXNDNNLWCYAPQ-ZETCQYMHSA-N 1 0 321.368 2.369 10 0 DEAERO Cc1ccc([C@@H]2CCCN2C(=O)C[C@@H]2COCC[NH2+]2)cc1C ZINC000262347986 145278158 /nfs/dbraw/zinc/27/81/58/145278158.db2.gz GCTXOAFJEJHVMY-SJORKVTESA-N 1 0 302.418 2.345 10 0 DEAERO C[C@H]1C[C@@H](C(=O)NCCNc2nc3ccccc3s2)CC[NH2+]1 ZINC000262366140 145279297 /nfs/dbraw/zinc/27/92/97/145279297.db2.gz JKKGUOMQPFZVPE-RYUDHWBXSA-N 1 0 318.446 2.213 10 0 DEAERO COCC1(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)CC[NH2+]CC1 ZINC000262419404 145282763 /nfs/dbraw/zinc/28/27/63/145282763.db2.gz URXJZQFYROTUBU-PJPHBNEVSA-N 1 0 306.450 2.040 10 0 DEAERO [NH3+]CC1(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000262416149 145283005 /nfs/dbraw/zinc/28/30/05/145283005.db2.gz ZSEKVZFQLGQWCQ-VXGBXAGGSA-N 1 0 322.371 2.227 10 0 DEAERO C[C@H](C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1)C1C[NH2+]C1 ZINC000262417746 145283083 /nfs/dbraw/zinc/28/30/83/145283083.db2.gz RJHOFAFVDLKCKE-LBPRGKRZSA-N 1 0 324.384 2.128 10 0 DEAERO CC(C)c1nc(-c2ccccc2NC(=O)[C@@H](C)C2C[NH2+]C2)n[nH]1 ZINC000262505800 145288545 /nfs/dbraw/zinc/28/85/45/145288545.db2.gz JCOXEQAYWZNCJB-NSHDSACASA-N 1 0 313.405 2.389 10 0 DEAERO O=C(NC1CC[NH2+]CC1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000262512241 145288647 /nfs/dbraw/zinc/28/86/47/145288647.db2.gz OTYOSNXAVWNHKP-KGLIPLIRSA-N 1 0 323.234 2.421 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1cccc(F)c1F ZINC000262505692 145289147 /nfs/dbraw/zinc/28/91/47/145289147.db2.gz MKMUOXCVWOPJPC-FMGDLQRFSA-N 1 0 310.344 2.436 10 0 DEAERO COc1cccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000262504450 145289194 /nfs/dbraw/zinc/28/91/94/145289194.db2.gz MIGXXBWNARESKH-JKIFEVAISA-N 1 0 304.390 2.166 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnc(-c2ccncc2)s1 ZINC000262518639 145289676 /nfs/dbraw/zinc/28/96/76/145289676.db2.gz VYRLUTXUEORDSI-FUNVUKJBSA-N 1 0 314.414 2.218 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1Cc2ccccc2C1 ZINC000262544605 145291972 /nfs/dbraw/zinc/29/19/72/145291972.db2.gz RPCQTKDBGKMILX-DAYGRLMNSA-N 1 0 300.402 2.061 10 0 DEAERO CCOCCOCc1cccc(NC(=O)[C@@H](C)C2C[NH2+]C2)c1C ZINC000262555373 145292887 /nfs/dbraw/zinc/29/28/87/145292887.db2.gz PJABOQRQCPYEQA-AWEZNQCLSA-N 1 0 320.433 2.342 10 0 DEAERO O=C(N1CCC[C@@]2(CCCOC2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262557680 145292935 /nfs/dbraw/zinc/29/29/35/145292935.db2.gz PWWZCAAAHVTWKM-CGTJXYLNSA-N 1 0 306.450 2.185 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262667338 145299374 /nfs/dbraw/zinc/29/93/74/145299374.db2.gz KZZMAOWMGIONFB-KFWWJZLASA-N 1 0 304.438 2.076 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000262697215 145300607 /nfs/dbraw/zinc/30/06/07/145300607.db2.gz ABDRJCRVHDVVMV-FZMZJTMJSA-N 1 0 318.808 2.254 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(Br)cs1 ZINC000262711816 145301470 /nfs/dbraw/zinc/30/14/70/145301470.db2.gz CUSDSPILMRMPQK-CBAPKCEASA-N 1 0 303.225 2.238 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(C(C)(C)Cc2ccccc2)n1 ZINC000263155691 145330199 /nfs/dbraw/zinc/33/01/99/145330199.db2.gz DJIHMTPLZODILT-CQSZACIVSA-N 1 0 300.406 2.166 10 0 DEAERO CCOc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)ccc1C ZINC000263229778 145338447 /nfs/dbraw/zinc/33/84/47/145338447.db2.gz NFETXVIYYQWKDP-CYBMUJFWSA-N 1 0 302.378 2.020 10 0 DEAERO C[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000263225735 145338854 /nfs/dbraw/zinc/33/88/54/145338854.db2.gz GKQLUFHEQQVAHS-LJQANCHMSA-N 1 0 323.440 2.468 10 0 DEAERO C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC([C@H](C)O)CC1 ZINC000304048520 145340080 /nfs/dbraw/zinc/34/00/80/145340080.db2.gz KDQMXHOSTMHTEN-LBKYZSNHSA-N 1 0 310.482 2.409 10 0 DEAERO CN(C(=O)c1cncc(Br)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000336811730 145398853 /nfs/dbraw/zinc/39/88/53/145398853.db2.gz OHDATBWSZDXELJ-ZDUSSCGKSA-N 1 0 324.222 2.010 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C1CCCCCC1 ZINC000346636038 146114218 /nfs/dbraw/zinc/11/42/18/146114218.db2.gz NZCJKOUDLWRNDS-KBPBESRZSA-N 1 0 302.484 2.216 10 0 DEAERO COc1cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)ccc1F ZINC000348392696 146265440 /nfs/dbraw/zinc/26/54/40/146265440.db2.gz QBHHXYOUUKLZBR-SNVBAGLBSA-N 1 0 301.383 2.062 10 0 DEAERO COc1ccc(OC)c(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000358431604 147133069 /nfs/dbraw/zinc/13/30/69/147133069.db2.gz FVWFIEQBKWFMHG-UHFFFAOYSA-N 1 0 319.405 2.477 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000358604981 147165555 /nfs/dbraw/zinc/16/55/55/147165555.db2.gz MTGKRFHUYRZGQE-HUUCEWRRSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H](C)N1C ZINC000358672468 147178186 /nfs/dbraw/zinc/17/81/86/147178186.db2.gz ZRROCERYJACXMT-HOTGVXAUSA-N 1 0 315.461 2.447 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@@](C)(O)C2CCCCC2)CC1 ZINC000359280607 147297440 /nfs/dbraw/zinc/29/74/40/147297440.db2.gz UTRAPDTZVBWYCT-GOSISDBHSA-N 1 0 323.481 2.269 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCc1ccccc1O ZINC000360789989 147384911 /nfs/dbraw/zinc/38/49/11/147384911.db2.gz ZLCSDKMARWZNOL-AWEZNQCLSA-N 1 0 307.438 2.354 10 0 DEAERO COc1ccsc1[C@@H](C)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000372113600 148171491 /nfs/dbraw/zinc/17/14/91/148171491.db2.gz SUJSETSQDPOHGI-YPMHNXCESA-N 1 0 324.446 2.187 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3coc(Br)c3)C[C@H]21 ZINC000374602025 148267293 /nfs/dbraw/zinc/26/72/93/148267293.db2.gz HDQBYIFONQHSLP-JMJZKYOTSA-N 1 0 313.195 2.242 10 0 DEAERO CC(C)Cn1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cn1 ZINC000374687617 148278718 /nfs/dbraw/zinc/27/87/18/148278718.db2.gz OTTGQLHHFRQSMA-IRXDYDNUSA-N 1 0 321.465 2.196 10 0 DEAERO CCOCCC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)CC1 ZINC000132673165 286046650 /nfs/dbraw/zinc/04/66/50/286046650.db2.gz IBPIAJRCZLLDDE-HZPDHXFCSA-N 1 0 323.481 2.461 10 0 DEAERO CCOCCC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)CC1 ZINC000132673367 286046707 /nfs/dbraw/zinc/04/67/07/286046707.db2.gz IBPIAJRCZLLDDE-JKSUJKDBSA-N 1 0 323.481 2.461 10 0 DEAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(C)n2)cc1 ZINC000127323256 401729202 /nfs/dbraw/zinc/72/92/02/401729202.db2.gz IISGIDIPXXBRTR-ZDUSSCGKSA-N 1 0 319.430 2.149 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)NCc3ccco3)cc2)CC1 ZINC000074164079 401732021 /nfs/dbraw/zinc/73/20/21/401732021.db2.gz CWLDUBHUUPRRDB-UHFFFAOYSA-N 1 0 313.401 2.352 10 0 DEAERO CC[C@H](O)CC[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000127396130 401732756 /nfs/dbraw/zinc/73/27/56/401732756.db2.gz BVRVBTIKKUWLIT-JTQLQIEISA-N 1 0 318.211 2.414 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)CCC(=O)N3)CC[N@@H+]1C ZINC000127461860 401735639 /nfs/dbraw/zinc/73/56/39/401735639.db2.gz JUXAOEFXOFQNDV-IUODEOHRSA-N 1 0 315.417 2.126 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(F)c1C ZINC000072606101 401711090 /nfs/dbraw/zinc/71/10/90/401711090.db2.gz MVZLRDREGYZPCR-ZDUSSCGKSA-N 1 0 309.385 2.366 10 0 DEAERO Fc1ccc(C[NH2+]CCCn2ccnn2)c(Br)c1 ZINC000126879767 401712115 /nfs/dbraw/zinc/71/21/15/401712115.db2.gz WPTBNTFIIHOHOL-UHFFFAOYSA-N 1 0 313.174 2.360 10 0 DEAERO COc1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008037341 401747853 /nfs/dbraw/zinc/74/78/53/401747853.db2.gz LERYYNWIKQFWEV-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cnn3c2CCCC3)C1 ZINC000126965853 401714921 /nfs/dbraw/zinc/71/49/21/401714921.db2.gz YXVLEUASNYXQSD-GASCZTMLSA-N 1 0 318.465 2.317 10 0 DEAERO CC(C)C[C@@H](CNC(=O)[C@H]1CCCN1c1nccs1)[NH+](C)C ZINC000114376563 401797407 /nfs/dbraw/zinc/79/74/07/401797407.db2.gz WSRJDCFERSKARR-UONOGXRCSA-N 1 0 324.494 2.204 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2c(C)noc2C)[C@H](C)C1 ZINC000129138845 401799332 /nfs/dbraw/zinc/79/93/32/401799332.db2.gz AMPOBWBJYXCMJH-MLGOLLRUSA-N 1 0 322.453 2.206 10 0 DEAERO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)no1 ZINC000114483843 401801921 /nfs/dbraw/zinc/80/19/21/401801921.db2.gz CXJSGFOHEARSKF-ZDUSSCGKSA-N 1 0 303.366 2.262 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000076996471 401802330 /nfs/dbraw/zinc/80/23/30/401802330.db2.gz AFZXXGJQKORIDC-JKSUJKDBSA-N 1 0 305.422 2.110 10 0 DEAERO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000566128391 292208263 /nfs/dbraw/zinc/20/82/63/292208263.db2.gz BSAJVBVLCPZLGO-QBIMZIAESA-N 1 0 305.418 2.336 10 0 DEAERO C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000127867672 401753221 /nfs/dbraw/zinc/75/32/21/401753221.db2.gz XQFQYOZWZRTGJZ-OAGGEKHMSA-N 1 0 304.438 2.215 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C)cc2OC)C1 ZINC000128076243 401761683 /nfs/dbraw/zinc/76/16/83/401761683.db2.gz ZPDYTXKLKZENPI-OAHLLOKOSA-N 1 0 305.422 2.287 10 0 DEAERO CCCNC(=O)[C@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000075828028 401769622 /nfs/dbraw/zinc/76/96/22/401769622.db2.gz NSCTVHDRBQRKFQ-YJBOKZPZSA-N 1 0 304.434 2.132 10 0 DEAERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)nn1-c1ccccc1 ZINC000113225945 401770271 /nfs/dbraw/zinc/77/02/71/401770271.db2.gz GFKBTVVWXFKVNK-RDJZCZTQSA-N 1 0 324.428 2.489 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cccn2)cc1 ZINC000113223344 401770434 /nfs/dbraw/zinc/77/04/34/401770434.db2.gz UXUUWTXLKPGNII-RHSMWYFYSA-N 1 0 310.401 2.181 10 0 DEAERO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(OC)c1 ZINC000113232268 401771167 /nfs/dbraw/zinc/77/11/67/401771167.db2.gz QPWWEFGHPZOSPZ-CHWSQXEVSA-N 1 0 304.390 2.013 10 0 DEAERO CC(=O)Nc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccc1C ZINC000113232922 401771338 /nfs/dbraw/zinc/77/13/38/401771338.db2.gz ZXAZEECMVZKPLR-BBRMVZONSA-N 1 0 315.417 2.262 10 0 DEAERO COCCOc1cccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000128387880 401774719 /nfs/dbraw/zinc/77/47/19/401774719.db2.gz MLMKZCSUFALUOW-INIZCTEOSA-N 1 0 315.417 2.435 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](CO)CC(C)(C)C ZINC000128435748 401776748 /nfs/dbraw/zinc/77/67/48/401776748.db2.gz IQMIJVCEZBNOGK-UONOGXRCSA-N 1 0 301.475 2.059 10 0 DEAERO COc1ccc(OC)c(NC(=O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000011961973 401778056 /nfs/dbraw/zinc/77/80/56/401778056.db2.gz SSUGLSSBOHQFBZ-AWEZNQCLSA-N 1 0 300.358 2.212 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCOC1CCCC1 ZINC000113607592 401784145 /nfs/dbraw/zinc/78/41/45/401784145.db2.gz ZNPJRMRRAFHUHS-HUUCEWRRSA-N 1 0 309.454 2.214 10 0 DEAERO CCc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)n1 ZINC000128592547 401784409 /nfs/dbraw/zinc/78/44/09/401784409.db2.gz GQPSTZVZUXEMHK-KGLIPLIRSA-N 1 0 301.394 2.215 10 0 DEAERO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)N1CCCCCC1 ZINC000128695908 401788219 /nfs/dbraw/zinc/78/82/19/401788219.db2.gz UMDHSBRQQSPXIR-CVEARBPZSA-N 1 0 304.438 2.359 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOCCC(C)C)[C@H](C)C1 ZINC000128740871 401789807 /nfs/dbraw/zinc/78/98/07/401789807.db2.gz LRJCVRUAZUUXEB-HZPDHXFCSA-N 1 0 313.486 2.421 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3nccn3c2)[C@H](C)C1 ZINC000076484303 401796623 /nfs/dbraw/zinc/79/66/23/401796623.db2.gz KBEFIWLZCJDERJ-UKRRQHHQSA-N 1 0 300.406 2.137 10 0 DEAERO [NH3+][C@H]1CCO[C@H]1c1ncc(Br)cc1Br ZINC000130220846 401823580 /nfs/dbraw/zinc/82/35/80/401823580.db2.gz VFILQCIAAYCNDG-IONNQARKSA-N 1 0 322.000 2.395 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)[C@@H]2COc3ccccc32)CC1 ZINC000130240263 401823992 /nfs/dbraw/zinc/82/39/92/401823992.db2.gz DWJFCFVGYYCRBT-ZBCRRDGASA-N 1 0 302.418 2.399 10 0 DEAERO O=C(Cc1c[nH]c2ccc(F)cc12)N1CCN(C2CC2)CC1 ZINC000115347949 401825039 /nfs/dbraw/zinc/82/50/39/401825039.db2.gz UQYATVCCBFCVSS-UHFFFAOYSA-N 1 0 301.365 2.156 10 0 DEAERO COc1ccc2c(c1)CCN2C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000130313303 401827209 /nfs/dbraw/zinc/82/72/09/401827209.db2.gz NKJXGOLFOZWSFF-GXTWGEPZSA-N 1 0 315.417 2.393 10 0 DEAERO CC(C)NC(=O)CC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000025929698 401838016 /nfs/dbraw/zinc/83/80/16/401838016.db2.gz QJOLYSZKDOIAIM-UHFFFAOYSA-N 1 0 300.406 2.219 10 0 DEAERO Cc1cccnc1[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000115840200 401838279 /nfs/dbraw/zinc/83/82/79/401838279.db2.gz FGKIXAUOYXTWMB-HUUCEWRRSA-N 1 0 304.438 2.433 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000026160581 401838939 /nfs/dbraw/zinc/83/89/39/401838939.db2.gz HZBZEYXAHTVQKW-INIZCTEOSA-N 1 0 316.449 2.003 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccncc1 ZINC000116250404 401847020 /nfs/dbraw/zinc/84/70/20/401847020.db2.gz JTUOVYJSDCDBDF-PBHICJAKSA-N 1 0 310.401 2.117 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116318809 401848977 /nfs/dbraw/zinc/84/89/77/401848977.db2.gz GTNLSRCKSKXDSZ-YQQAZPJKSA-N 1 0 318.465 2.389 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)NCC3CCCCC3)C2)cn1 ZINC000116315580 401849601 /nfs/dbraw/zinc/84/96/01/401849601.db2.gz WIHDECINPCFBTG-MRXNPFEDSA-N 1 0 318.465 2.296 10 0 DEAERO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116321185 401850124 /nfs/dbraw/zinc/85/01/24/401850124.db2.gz VULNKBLITXPIFE-OCCSQVGLSA-N 1 0 324.388 2.416 10 0 DEAERO CN(CC1CCCCC1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000079391871 401872313 /nfs/dbraw/zinc/87/23/13/401872313.db2.gz UXQLWCFHNXNOGQ-UHFFFAOYSA-N 1 0 311.470 2.321 10 0 DEAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000028877680 401853398 /nfs/dbraw/zinc/85/33/98/401853398.db2.gz COODCLLYQAJYIL-OLZOCXBDSA-N 1 0 305.422 2.380 10 0 DEAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000028877674 401853506 /nfs/dbraw/zinc/85/35/06/401853506.db2.gz COODCLLYQAJYIL-CHWSQXEVSA-N 1 0 305.422 2.380 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)c2nc(C)cs2)C1 ZINC000116535578 401854452 /nfs/dbraw/zinc/85/44/52/401854452.db2.gz XXZPZHPXJZVQRX-GFCCVEGCSA-N 1 0 310.467 2.470 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCCS1 ZINC000131715854 401855641 /nfs/dbraw/zinc/85/56/41/401855641.db2.gz LQLTYZWZDMEVKP-CYBMUJFWSA-N 1 0 308.447 2.252 10 0 DEAERO Cc1ccc(C(C)(C)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116787025 401859344 /nfs/dbraw/zinc/85/93/44/401859344.db2.gz MIMGHJCZXUNNKL-MRXNPFEDSA-N 1 0 304.434 2.062 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000116798182 401859640 /nfs/dbraw/zinc/85/96/40/401859640.db2.gz GUYQZOJRLFTLGR-CYBMUJFWSA-N 1 0 317.216 2.396 10 0 DEAERO CCCCc1ccc(CC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116796270 401859661 /nfs/dbraw/zinc/85/96/61/401859661.db2.gz AZPUUSAMOCIKJF-GOSISDBHSA-N 1 0 318.461 2.361 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSCc2cscn2)C1 ZINC000131980785 401861006 /nfs/dbraw/zinc/86/10/06/401861006.db2.gz UGEUSLDPPNLIBM-YPMHNXCESA-N 1 0 313.492 2.221 10 0 DEAERO CC[C@@H](COC)[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000119197011 401932424 /nfs/dbraw/zinc/93/24/24/401932424.db2.gz CCWJZUQGHMTHSO-STQMWFEESA-N 1 0 302.212 2.497 10 0 DEAERO CC[C@@H](COC)[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000119197171 401932534 /nfs/dbraw/zinc/93/25/34/401932534.db2.gz CCWJZUQGHMTHSO-QWHCGFSZSA-N 1 0 302.212 2.497 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC000117783720 401884366 /nfs/dbraw/zinc/88/43/66/401884366.db2.gz INTXIWWGELFYIH-CABCVRRESA-N 1 0 302.418 2.495 10 0 DEAERO CC[C@H](C)C[C@@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000080690463 401891752 /nfs/dbraw/zinc/89/17/52/401891752.db2.gz OULYFVIGAMJGNU-LSDHHAIUSA-N 1 0 318.465 2.388 10 0 DEAERO C[C@H](CNC(=O)[C@H]1CCCc2n[nH]cc21)[NH+]1CCC(C)CC1 ZINC000133736712 401894145 /nfs/dbraw/zinc/89/41/45/401894145.db2.gz XMRZJSYSZMVKRB-KGLIPLIRSA-N 1 0 304.438 2.066 10 0 DEAERO CCCC(=O)OC[C@H](O)C[N@H+](CCOC)Cc1ccccc1C ZINC000036099890 401902753 /nfs/dbraw/zinc/90/27/53/401902753.db2.gz BQGOCEOYOCOTQJ-QGZVFWFLSA-N 1 0 323.433 2.148 10 0 DEAERO [NH3+]C1(CNS(=O)(=O)c2ccc(F)c(F)c2)CCCCCC1 ZINC000036266822 401903931 /nfs/dbraw/zinc/90/39/31/401903931.db2.gz OKHAOTYFKIILSB-UHFFFAOYSA-N 1 0 318.389 2.295 10 0 DEAERO C[C@H]1OCC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000134449561 401904071 /nfs/dbraw/zinc/90/40/71/401904071.db2.gz VUPSDVOZLFOSEV-PBHICJAKSA-N 1 0 317.433 2.259 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)nc1 ZINC000118777739 401907370 /nfs/dbraw/zinc/90/73/70/401907370.db2.gz RBXITLPLMMBRFW-OAHLLOKOSA-N 1 0 301.365 2.123 10 0 DEAERO COc1ccccc1C1CC([NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000036850322 401908249 /nfs/dbraw/zinc/90/82/49/401908249.db2.gz HSYHMYAPBODEKD-UHFFFAOYSA-N 1 0 309.431 2.108 10 0 DEAERO CC(C)C1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085823283 401919083 /nfs/dbraw/zinc/91/90/83/401919083.db2.gz DDPURRIKWJFNLD-AWEZNQCLSA-N 1 0 302.484 2.026 10 0 DEAERO C[N@H+](CCCc1ccccc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085786546 401919149 /nfs/dbraw/zinc/91/91/49/401919149.db2.gz GWFISVPNXZZYHL-QGZVFWFLSA-N 1 0 324.490 2.223 10 0 DEAERO Cc1ccc(C[N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000085792785 401919244 /nfs/dbraw/zinc/91/92/44/401919244.db2.gz YJRGJWVMYVLYCB-CYBMUJFWSA-N 1 0 316.492 2.160 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119039593 401920827 /nfs/dbraw/zinc/92/08/27/401920827.db2.gz NMMQCQSKSJCZDF-VXLLPVPCSA-N 1 0 324.513 2.088 10 0 DEAERO CC(C)(C)OC(=O)N[C@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000038316690 401922861 /nfs/dbraw/zinc/92/28/61/401922861.db2.gz LVUBESNUUMLEHL-LLVKDONJSA-N 1 0 302.415 2.350 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCCO1 ZINC000119068032 401923381 /nfs/dbraw/zinc/92/33/81/401923381.db2.gz YJHBVDDVLIFJJQ-KRWDZBQOSA-N 1 0 302.418 2.468 10 0 DEAERO CC(C)(C)c1cccc(OCC[NH2+]C2CCN(C(N)=O)CC2)c1 ZINC000089722901 401959376 /nfs/dbraw/zinc/95/93/76/401959376.db2.gz CXTBLIGZJSJDSX-UHFFFAOYSA-N 1 0 319.449 2.496 10 0 DEAERO CC1CC[NH+](CC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000136282211 401964667 /nfs/dbraw/zinc/96/46/67/401964667.db2.gz QFNLJGYFLWKMAS-UHFFFAOYSA-N 1 0 321.440 2.235 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000136401148 401967569 /nfs/dbraw/zinc/96/75/69/401967569.db2.gz XOMPROHYYYZFLS-KRWDZBQOSA-N 1 0 318.461 2.289 10 0 DEAERO O=C1CC[C@@H]2C[N@H+](C[C@H](O)c3ccccc3)CC[C@H]2N1C1CC1 ZINC000119889490 401969988 /nfs/dbraw/zinc/96/99/88/401969988.db2.gz ZPXURCSZXNUNGZ-NXHRZFHOSA-N 1 0 314.429 2.195 10 0 DEAERO COC(=O)CC(C)(C)CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000136662412 401971398 /nfs/dbraw/zinc/97/13/98/401971398.db2.gz LUCWIAUJTXVKHB-CYBMUJFWSA-N 1 0 300.443 2.058 10 0 DEAERO CCN1CCN(C(=O)[C@H](C)[N@H+](CC)Cc2ccccc2)CC1 ZINC000120046782 401976054 /nfs/dbraw/zinc/97/60/54/401976054.db2.gz RVLKAUQGQLBITO-INIZCTEOSA-N 1 0 303.450 2.061 10 0 DEAERO C[C@@H](CNC(=O)N1CCO[C@H](c2cccs2)C1)[N@H+](C)C1CC1 ZINC000120165700 401980270 /nfs/dbraw/zinc/98/02/70/401980270.db2.gz QKKLIMBQFRXJOM-JSGCOSHPSA-N 1 0 323.462 2.314 10 0 DEAERO COc1cc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)ccc1F ZINC000090182958 401980843 /nfs/dbraw/zinc/98/08/43/401980843.db2.gz DZCMGVCRWNYCNG-NSHDSACASA-N 1 0 315.410 2.310 10 0 DEAERO COc1ccc2c(c1)CCC[C@H]2CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000137395447 401982976 /nfs/dbraw/zinc/98/29/76/401982976.db2.gz RXCRDCQVBQULJZ-YOEHRIQHSA-N 1 0 302.418 2.359 10 0 DEAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NCC(C)C)cc1 ZINC000120419826 401989846 /nfs/dbraw/zinc/98/98/46/401989846.db2.gz XYYKJPZDFGHHRV-CYBMUJFWSA-N 1 0 305.422 2.381 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)NCCCOCC1CC1)c1ccccc1 ZINC000048198260 401995531 /nfs/dbraw/zinc/99/55/31/401995531.db2.gz IIBGICMYRIQEOJ-QGZVFWFLSA-N 1 0 319.449 2.405 10 0 DEAERO COc1cc(OCc2ccccc2)c([C@H](N)C[NH3+])cc1OC ZINC000044470015 401943611 /nfs/dbraw/zinc/94/36/11/401943611.db2.gz QEWZKBMGXBZJFJ-CQSZACIVSA-N 1 0 302.374 2.241 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c(Cl)cc1F ZINC000119392952 401947125 /nfs/dbraw/zinc/94/71/25/401947125.db2.gz NZJCUKNSOJFGDL-JTQLQIEISA-N 1 0 320.817 2.112 10 0 DEAERO CCc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)s1 ZINC000049044865 402011072 /nfs/dbraw/zinc/01/10/72/402011072.db2.gz AMFXPZATIWZJCZ-CYBMUJFWSA-N 1 0 310.444 2.289 10 0 DEAERO C[C@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)O1 ZINC000151044616 402012684 /nfs/dbraw/zinc/01/26/84/402012684.db2.gz PHJBILORVRZZPF-BBRMVZONSA-N 1 0 308.397 2.283 10 0 DEAERO CC[C@H]1CN(CCC(=O)c2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000122003392 402058907 /nfs/dbraw/zinc/05/89/07/402058907.db2.gz SWJCWKXHOVTSPL-PBHICJAKSA-N 1 0 322.424 2.176 10 0 DEAERO CNC(=O)CC1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000093588741 402016576 /nfs/dbraw/zinc/01/65/76/402016576.db2.gz NHFBPYPOCZKSRQ-UHFFFAOYSA-N 1 0 312.417 2.425 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)CCc1ccnn1C)c1ccco1 ZINC000121149573 402017579 /nfs/dbraw/zinc/01/75/79/402017579.db2.gz LQRKCAJWPBWDFW-OAHLLOKOSA-N 1 0 318.421 2.145 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000151121494 402017760 /nfs/dbraw/zinc/01/77/60/402017760.db2.gz KRJLVCCIPJCOGW-GJZGRUSLSA-N 1 0 323.462 2.315 10 0 DEAERO CC(C)Cc1ncc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000093818130 402021482 /nfs/dbraw/zinc/02/14/82/402021482.db2.gz VCJWEMGQIVQFIJ-HNNXBMFYSA-N 1 0 323.506 2.496 10 0 DEAERO CC[NH2+][C@H](CCO)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095091403 402026096 /nfs/dbraw/zinc/02/60/96/402026096.db2.gz RSFFYNNNCUVLHM-QGZVFWFLSA-N 1 0 320.433 2.396 10 0 DEAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)n(C)n1 ZINC000121344753 402030160 /nfs/dbraw/zinc/03/01/60/402030160.db2.gz YEOAIXSVTRRDAN-SNVBAGLBSA-N 1 0 308.332 2.296 10 0 DEAERO O=C([C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)N1CCOCC1 ZINC000051530995 402034599 /nfs/dbraw/zinc/03/45/99/402034599.db2.gz BHQGTHJXGAELHM-ZDUSSCGKSA-N 1 0 324.371 2.036 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151478828 402038675 /nfs/dbraw/zinc/03/86/75/402038675.db2.gz JRXCZZBWMUGOBP-JFIYKMOQSA-N 1 0 323.481 2.197 10 0 DEAERO Cc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)COC2CCOCC2)cc1 ZINC000121660670 402047342 /nfs/dbraw/zinc/04/73/42/402047342.db2.gz MEIPAXMWGINASA-WMZOPIPTSA-N 1 0 321.461 2.414 10 0 DEAERO Cc1cnc(CCN(C)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000121727227 402050289 /nfs/dbraw/zinc/05/02/89/402050289.db2.gz NHYYVDRUVFVHFZ-GXTWGEPZSA-N 1 0 324.494 2.364 10 0 DEAERO CSCCCCC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000121814868 402053492 /nfs/dbraw/zinc/05/34/92/402053492.db2.gz DCLVOITWRYKKAT-AWEZNQCLSA-N 1 0 314.495 2.231 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1ccc2cc[nH]c2c1 ZINC000053450356 402056132 /nfs/dbraw/zinc/05/61/32/402056132.db2.gz JRZGIFGEAUSXSA-UHFFFAOYSA-N 1 0 301.390 2.010 10 0 DEAERO CCn1cc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cn1 ZINC000121928929 402057271 /nfs/dbraw/zinc/05/72/71/402057271.db2.gz OPKHBGCYSVEUOK-HNNXBMFYSA-N 1 0 302.426 2.024 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1csc(-c2ccco2)n1 ZINC000150858602 402000662 /nfs/dbraw/zinc/00/06/62/402000662.db2.gz LLNYBVTXTLKALH-LBPRGKRZSA-N 1 0 320.418 2.297 10 0 DEAERO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000150877216 402002553 /nfs/dbraw/zinc/00/25/53/402002553.db2.gz LMZHNTAJVGMYAQ-WCQYABFASA-N 1 0 308.426 2.248 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000122412144 402077491 /nfs/dbraw/zinc/07/74/91/402077491.db2.gz BMNGZIRYBVLIOG-LLVKDONJSA-N 1 0 319.380 2.127 10 0 DEAERO C[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC1(O)CCCC1 ZINC000152194436 402080881 /nfs/dbraw/zinc/08/08/81/402080881.db2.gz ZHUVVVFMFKOUHB-GFCCVEGCSA-N 1 0 322.371 2.024 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000152218876 402082591 /nfs/dbraw/zinc/08/25/91/402082591.db2.gz QRAHPYPTIHYENE-KLHDSHLOSA-N 1 0 309.454 2.070 10 0 DEAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152285115 402086740 /nfs/dbraw/zinc/08/67/40/402086740.db2.gz CURAMFPEZCWRNM-KBPBESRZSA-N 1 0 322.453 2.038 10 0 DEAERO O[C@@H](CNc1cnc2cc(F)c(F)cc2n1)C[NH+]1CCCCC1 ZINC000122626602 402087765 /nfs/dbraw/zinc/08/77/65/402087765.db2.gz PENOFKTWSNMQGA-NSHDSACASA-N 1 0 322.359 2.167 10 0 DEAERO C[C@H](c1nc(-c2cccnc2)no1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152420720 402095535 /nfs/dbraw/zinc/09/55/35/402095535.db2.gz QPRGECHOGJIENJ-ZIAGYGMSSA-N 1 0 315.421 2.466 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000122834313 402096787 /nfs/dbraw/zinc/09/67/87/402096787.db2.gz AMMCKHLZIINUIJ-LBPRGKRZSA-N 1 0 316.323 2.338 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(Cl)cn2)C1 ZINC000097049621 402102849 /nfs/dbraw/zinc/10/28/49/402102849.db2.gz ORURRGCYUBTQKT-IUODEOHRSA-N 1 0 322.840 2.361 10 0 DEAERO OC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000152705882 402104116 /nfs/dbraw/zinc/10/41/16/402104116.db2.gz RDPSHDJNXXXYSD-LEWJYISDSA-N 1 0 324.468 2.497 10 0 DEAERO O=C(NCCSC(F)(F)F)N1CCC[N@@H+](C2CC2)CC1 ZINC000061865948 402108912 /nfs/dbraw/zinc/10/89/12/402108912.db2.gz FQOOHCWCFXJFIF-UHFFFAOYSA-N 1 0 311.373 2.119 10 0 DEAERO Cc1ccc([C@H](Cn2c(=O)[nH]c3ccccc3c2=O)[NH+](C)C)cc1 ZINC000063840327 402115448 /nfs/dbraw/zinc/11/54/48/402115448.db2.gz DQNUBNVTLGGIOU-KRWDZBQOSA-N 1 0 323.396 2.301 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)c(Cl)cc2F)CCO1 ZINC000122194997 402065883 /nfs/dbraw/zinc/06/58/83/402065883.db2.gz PBIDBKNOLUUZLY-SECBINFHSA-N 1 0 318.751 2.021 10 0 DEAERO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cccc2ccccc21 ZINC000122204202 402066195 /nfs/dbraw/zinc/06/61/95/402066195.db2.gz ZCYNEWLZXWPABR-QWHCGFSZSA-N 1 0 304.415 2.198 10 0 DEAERO CC(=O)N1CCC2(CC[NH+](Cc3ccccc3)CC2)[C@H](CO)C1 ZINC000097402360 402124522 /nfs/dbraw/zinc/12/45/22/402124522.db2.gz PGONYLAWLZQJEU-SFHVURJKSA-N 1 0 316.445 2.130 10 0 DEAERO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](O)C(C)C ZINC000153109811 402127212 /nfs/dbraw/zinc/12/72/12/402127212.db2.gz FVJBBIMRQKHDKS-QGZVFWFLSA-N 1 0 321.465 2.345 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCCc2cccc(O)c2)CC1 ZINC000066232921 402129528 /nfs/dbraw/zinc/12/95/28/402129528.db2.gz CTOFGQBPCBDKDG-UHFFFAOYSA-N 1 0 319.449 2.356 10 0 DEAERO C[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccccc3)n2C)CC[N@@H+]1C ZINC000123531816 402132808 /nfs/dbraw/zinc/13/28/08/402132808.db2.gz GBRHMHABCSQLOO-ZBFHGGJFSA-N 1 0 313.449 2.397 10 0 DEAERO COc1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123683413 402141575 /nfs/dbraw/zinc/14/15/75/402141575.db2.gz OLERKUBGKOKTCZ-UKRRQHHQSA-N 1 0 305.422 2.048 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(Cc3cn4ccsc4n3)CC2)CCO1 ZINC000066562385 402136931 /nfs/dbraw/zinc/13/69/31/402136931.db2.gz NTATYDGNTANSQA-CYBMUJFWSA-N 1 0 320.462 2.081 10 0 DEAERO C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100248382 402140673 /nfs/dbraw/zinc/14/06/73/402140673.db2.gz GZRBOMGYHXFDBL-OLZOCXBDSA-N 1 0 306.410 2.384 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1cccc(O)c1 ZINC000101649921 402152913 /nfs/dbraw/zinc/15/29/13/402152913.db2.gz VNPGOERZNJYTMJ-QGZVFWFLSA-N 1 0 312.413 2.224 10 0 DEAERO C[C@@]1(C(=O)NCCCN2CCOCC2)CCCc2ccccc21 ZINC000101627866 402151818 /nfs/dbraw/zinc/15/18/18/402151818.db2.gz YLOFKOKCCSVDFF-LJQANCHMSA-N 1 0 316.445 2.119 10 0 DEAERO COC(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123922467 402154076 /nfs/dbraw/zinc/15/40/76/402154076.db2.gz IWAXWXATJQYUBL-DOMZBBRYSA-N 1 0 304.390 2.028 10 0 DEAERO CC[C@@H](C)CSCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000123954126 402155575 /nfs/dbraw/zinc/15/55/75/402155575.db2.gz BEFDJMQNNFXILJ-CABCVRRESA-N 1 0 316.511 2.239 10 0 DEAERO C[C@@]1(O)CCC[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000124531279 402184489 /nfs/dbraw/zinc/18/44/89/402184489.db2.gz ZWGITWBYXJDMGL-SJLPKXTDSA-N 1 0 302.418 2.027 10 0 DEAERO COC[C@@H](C)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000103427911 402187255 /nfs/dbraw/zinc/18/72/55/402187255.db2.gz QWNUHNLBWGPLCM-PBHICJAKSA-N 1 0 320.433 2.231 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@](C)(CO)C1CCCCC1 ZINC000154032089 402188007 /nfs/dbraw/zinc/18/80/07/402188007.db2.gz JGVLZCXFNMTYMM-PBHICJAKSA-N 1 0 313.486 2.347 10 0 DEAERO CNc1snc(C)c1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000104125013 402198402 /nfs/dbraw/zinc/19/84/02/402198402.db2.gz AVVGKSYMJYXPAC-UHFFFAOYSA-N 1 0 308.451 2.194 10 0 DEAERO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cccc3)c(F)c2)C1 ZINC000104184088 402200481 /nfs/dbraw/zinc/20/04/81/402200481.db2.gz FBIVMWFTZDBEDV-ZDUSSCGKSA-N 1 0 301.365 2.298 10 0 DEAERO CC(=O)NC[C@H]1CC[N@H+](Cc2c(C)nc3ccc(Cl)cn32)C1 ZINC000067489802 402161229 /nfs/dbraw/zinc/16/12/29/402161229.db2.gz JPXPDIFUVPQQBG-CYBMUJFWSA-N 1 0 320.824 2.254 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000124164944 402166931 /nfs/dbraw/zinc/16/69/31/402166931.db2.gz QIBWURHTHBJTMR-HUUCEWRRSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@H]([NH2+]CCc1cccc(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000124190429 402168408 /nfs/dbraw/zinc/16/84/08/402168408.db2.gz FVXBMIVGRCUHAZ-LBPRGKRZSA-N 1 0 322.405 2.366 10 0 DEAERO CC1(C)CCC[N@@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000102930598 402174611 /nfs/dbraw/zinc/17/46/11/402174611.db2.gz FFFFWCDMGZYTAA-UHFFFAOYSA-N 1 0 319.424 2.349 10 0 DEAERO C[C@]1(O)CCC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000124344009 402175842 /nfs/dbraw/zinc/17/58/42/402175842.db2.gz KFQDGPQRDQHEMX-HOTGVXAUSA-N 1 0 313.825 2.064 10 0 DEAERO CCCC(=O)NCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103092600 402178406 /nfs/dbraw/zinc/17/84/06/402178406.db2.gz HZFKGRCGAOZJGR-INIZCTEOSA-N 1 0 323.481 2.017 10 0 DEAERO COc1cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)ccc1SC ZINC000106380413 402213389 /nfs/dbraw/zinc/21/33/89/402213389.db2.gz BYVJGPYYDDQWBL-HNNXBMFYSA-N 1 0 322.474 2.370 10 0 DEAERO CCCN(Cc1nnnn1-c1ccccc1)C[C@@H]1CCCCO1 ZINC000106867529 402218525 /nfs/dbraw/zinc/21/85/25/402218525.db2.gz BRHBDLSEEDKFGN-INIZCTEOSA-N 1 0 315.421 2.443 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2C)cc1NC(C)=O ZINC000154609045 402221043 /nfs/dbraw/zinc/22/10/43/402221043.db2.gz AFBONLIWTZTVDP-WFASDCNBSA-N 1 0 305.422 2.398 10 0 DEAERO C[C@@H]1CC[C@H](C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)O1 ZINC000154621998 402221844 /nfs/dbraw/zinc/22/18/44/402221844.db2.gz LPNGGWKXPUUQEC-CZUORRHYSA-N 1 0 306.406 2.270 10 0 DEAERO C[C@H]1CC[C@H](C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)O1 ZINC000154622124 402221967 /nfs/dbraw/zinc/22/19/67/402221967.db2.gz LPNGGWKXPUUQEC-XJKSGUPXSA-N 1 0 306.406 2.270 10 0 DEAERO C[C@H]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)O1 ZINC000125279923 402223811 /nfs/dbraw/zinc/22/38/11/402223811.db2.gz LWVXCYYJTONQMW-DOTOQJQBSA-N 1 0 302.418 2.288 10 0 DEAERO O=C(c1ccc(-c2ncon2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000107244708 402228645 /nfs/dbraw/zinc/22/86/45/402228645.db2.gz NBADKTLCYOJKEC-HNNXBMFYSA-N 1 0 312.373 2.047 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)C[C@@H]2CCCCO2)ccc1F ZINC000155058058 402243657 /nfs/dbraw/zinc/24/36/57/402243657.db2.gz GGDPGSVVDYSOET-HNNXBMFYSA-N 1 0 308.397 2.463 10 0 DEAERO CCC[C@@H](C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1)[NH+](C)C ZINC000155134263 402246257 /nfs/dbraw/zinc/24/62/57/402246257.db2.gz ZHQQRNLRZKZYFG-CJNGLKHVSA-N 1 0 315.421 2.175 10 0 DEAERO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCO2 ZINC000108546608 402256582 /nfs/dbraw/zinc/25/65/82/402256582.db2.gz GKNIFHNDRVIMNI-STQMWFEESA-N 1 0 319.405 2.117 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CSCc1cscn1 ZINC000125927132 402257443 /nfs/dbraw/zinc/25/74/43/402257443.db2.gz COMHVFIGETWDRK-LBPRGKRZSA-N 1 0 313.492 2.367 10 0 DEAERO Cc1nc(C)c(CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000108586420 402258235 /nfs/dbraw/zinc/25/82/35/402258235.db2.gz KDPNTHNLYGBTIH-CQSZACIVSA-N 1 0 322.478 2.182 10 0 DEAERO CCc1c(C)nc(-c2cnccn2)nc1NCC1CC[NH2+]CC1 ZINC000070456044 402260672 /nfs/dbraw/zinc/26/06/72/402260672.db2.gz LDUUUDPTDNKZKW-UHFFFAOYSA-N 1 0 312.421 2.216 10 0 DEAERO CC(C)(C)c1noc(-c2ccc(N3CCC[NH2+]CC3)nc2)n1 ZINC000070457802 402261079 /nfs/dbraw/zinc/26/10/79/402261079.db2.gz WNMGDVMSMQXYSH-UHFFFAOYSA-N 1 0 301.394 2.229 10 0 DEAERO C[C@@H](Cc1cccc(F)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000068864573 402207206 /nfs/dbraw/zinc/20/72/06/402207206.db2.gz XHWSEXCTEYWQRG-HNNXBMFYSA-N 1 0 322.424 2.233 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000154358582 402208076 /nfs/dbraw/zinc/20/80/76/402208076.db2.gz UYOMGGKRSOANIX-TZMCWYRMSA-N 1 0 321.469 2.401 10 0 DEAERO CCC[C@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154360266 402208399 /nfs/dbraw/zinc/20/83/99/402208399.db2.gz OEGPCNRVZUKJOH-PMRDEQMMSA-N 1 0 307.482 2.192 10 0 DEAERO C[C@H]1CCCCN1C(=O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105918375 402211295 /nfs/dbraw/zinc/21/12/95/402211295.db2.gz AYHDFMRFRDWXKZ-HNNXBMFYSA-N 1 0 318.465 2.076 10 0 DEAERO CCCCOC(=O)CC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105919883 402211696 /nfs/dbraw/zinc/21/16/96/402211696.db2.gz WLFJXCODWULHCE-INIZCTEOSA-N 1 0 322.453 2.340 10 0 DEAERO NC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC000125074729 402212102 /nfs/dbraw/zinc/21/21/02/402212102.db2.gz VDQMKQDOQJHMHP-HNNXBMFYSA-N 1 0 303.406 2.059 10 0 DEAERO CN1CCO[C@@H](CNC(=O)C(C)(C)Cc2cccc(Cl)c2)C1 ZINC000176592392 402321739 /nfs/dbraw/zinc/32/17/39/402321739.db2.gz HMYLUKJFMHOBLF-HNNXBMFYSA-N 1 0 324.852 2.356 10 0 DEAERO Cc1cc2occ(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)c2cc1C ZINC000184556742 402276085 /nfs/dbraw/zinc/27/60/85/402276085.db2.gz FEVKVGYIGBFGBO-AWEZNQCLSA-N 1 0 316.401 2.452 10 0 DEAERO C[C@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)C1CCCC1 ZINC000184631024 402286268 /nfs/dbraw/zinc/28/62/68/402286268.db2.gz DZUNVJFXKZSJEC-LBPRGKRZSA-N 1 0 304.390 2.200 10 0 DEAERO Cc1nc2ccccc2n1CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839741 402286891 /nfs/dbraw/zinc/28/68/91/402286891.db2.gz RPNXXEKETIGFGM-HNNXBMFYSA-N 1 0 312.417 2.041 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176321429 402299523 /nfs/dbraw/zinc/29/95/23/402299523.db2.gz RGFNIDRYSWWBBT-GJZGRUSLSA-N 1 0 321.469 2.211 10 0 DEAERO C[C@@H](CNC(=O)NCCc1cc(F)ccc1F)[N@H+](C)C1CC1 ZINC000176329905 402299992 /nfs/dbraw/zinc/29/99/92/402299992.db2.gz MOPLTOWKOWBYQU-NSHDSACASA-N 1 0 311.376 2.289 10 0 DEAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1COc2ccccc21 ZINC000158083876 402301607 /nfs/dbraw/zinc/30/16/07/402301607.db2.gz FXTLAPSALPFARZ-HUUCEWRRSA-N 1 0 303.406 2.102 10 0 DEAERO CCc1ccc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1F ZINC000158534062 402307520 /nfs/dbraw/zinc/30/75/20/402307520.db2.gz DOWQZSKOYDCEGS-ZDUSSCGKSA-N 1 0 322.428 2.146 10 0 DEAERO c1ccn2c(c1)nnc2C1CC[NH+](CCOCC2CC2)CC1 ZINC000158589705 402308494 /nfs/dbraw/zinc/30/84/94/402308494.db2.gz VVGVLAUPYIBDPN-UHFFFAOYSA-N 1 0 300.406 2.335 10 0 DEAERO O=C(NCCc1cc(F)ccc1F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000176458421 402311230 /nfs/dbraw/zinc/31/12/30/402311230.db2.gz GLVPETAKSWCFEK-OAHLLOKOSA-N 1 0 321.371 2.163 10 0 DEAERO COC[C@H]1C[N@H+](C)CC12CCN(C(=O)[C@H]1CC=CCC1)CC2 ZINC000225398732 402316478 /nfs/dbraw/zinc/31/64/78/402316478.db2.gz DYZDMAOOSNOTCF-JKSUJKDBSA-N 1 0 306.450 2.160 10 0 DEAERO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185008022 402316651 /nfs/dbraw/zinc/31/66/51/402316651.db2.gz LUOJZFPDHTXDSF-JKSUJKDBSA-N 1 0 304.394 2.201 10 0 DEAERO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000185055041 402320625 /nfs/dbraw/zinc/32/06/25/402320625.db2.gz CLRLGJSXHSTQPP-GJZGRUSLSA-N 1 0 302.422 2.064 10 0 DEAERO CCC1(NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CCC1 ZINC000176583427 402321049 /nfs/dbraw/zinc/32/10/49/402321049.db2.gz FWCRYFDTXSUSPD-UHFFFAOYSA-N 1 0 318.421 2.301 10 0 DEAERO Cn1cc(-c2cc(C[N@H+](C)C[C@@H]3CCCC[C@@H]3O)on2)cn1 ZINC000185058398 402321148 /nfs/dbraw/zinc/32/11/48/402321148.db2.gz HRQHLZBNLKCQCX-LRDDRELGSA-N 1 0 304.394 2.058 10 0 DEAERO CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000185320991 402343045 /nfs/dbraw/zinc/34/30/45/402343045.db2.gz RHQYOOGNPOJBRL-AWEZNQCLSA-N 1 0 323.824 2.187 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000185320048 402343167 /nfs/dbraw/zinc/34/31/67/402343167.db2.gz FTQOWRNKNULLAI-QWHCGFSZSA-N 1 0 324.387 2.126 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C)cc1F ZINC000176903375 402348646 /nfs/dbraw/zinc/34/86/46/402348646.db2.gz DQCBXQOAMAXEHR-CYBMUJFWSA-N 1 0 321.396 2.015 10 0 DEAERO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230167152 402348796 /nfs/dbraw/zinc/34/87/96/402348796.db2.gz BQMXJRPSSMQUKF-ZDUSSCGKSA-N 1 0 308.426 2.373 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC(N)=O)c1ccc(Cl)c2ccccc21 ZINC000185383718 402348933 /nfs/dbraw/zinc/34/89/33/402348933.db2.gz ASSCLRJBPKCMIS-VIFPVBQESA-N 1 0 305.765 2.339 10 0 DEAERO CC(C)Cc1nsc(N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000185448104 402353221 /nfs/dbraw/zinc/35/32/21/402353221.db2.gz IVLFTSALKLMVLP-UHFFFAOYSA-N 1 0 324.494 2.285 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(C[S@](C)=O)c1 ZINC000176966434 402355204 /nfs/dbraw/zinc/35/52/04/402355204.db2.gz FVQAANUDBFQCQY-AOMKIAJQSA-N 1 0 322.474 2.121 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ncccc1Br ZINC000231763135 402355597 /nfs/dbraw/zinc/35/55/97/402355597.db2.gz JOVLJYVFEOLWPS-JTQLQIEISA-N 1 0 312.211 2.010 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(OCCOC)c1 ZINC000176974492 402355878 /nfs/dbraw/zinc/35/58/78/402355878.db2.gz QMAVAPPBKBJWTJ-MRXNPFEDSA-N 1 0 320.433 2.268 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)COc1ccccc1OC ZINC000177026181 402360817 /nfs/dbraw/zinc/36/08/17/402360817.db2.gz LLVAIVCOBKNOKX-CQSZACIVSA-N 1 0 306.406 2.017 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000185639978 402366412 /nfs/dbraw/zinc/36/64/12/402366412.db2.gz JKKQRZCDXPFXQE-JKSUJKDBSA-N 1 0 313.486 2.013 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc3nccn32)C12CCOCC2 ZINC000185670515 402368310 /nfs/dbraw/zinc/36/83/10/402368310.db2.gz CSLFGWRXXMDSSV-CVEARBPZSA-N 1 0 315.417 2.398 10 0 DEAERO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1(C)CCC1 ZINC000177088772 402368809 /nfs/dbraw/zinc/36/88/09/402368809.db2.gz RMNRXFLWHFCFAQ-UHFFFAOYSA-N 1 0 318.421 2.159 10 0 DEAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(C(N)=O)cc1 ZINC000185704470 402370352 /nfs/dbraw/zinc/37/03/52/402370352.db2.gz FXUJHQSUDBKJCA-CYBMUJFWSA-N 1 0 318.421 2.172 10 0 DEAERO CCC[NH2+]CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000236849182 402385197 /nfs/dbraw/zinc/38/51/97/402385197.db2.gz WGWJILVKEDWOGD-IUODEOHRSA-N 1 0 303.406 2.011 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000176673730 402327663 /nfs/dbraw/zinc/32/76/63/402327663.db2.gz YZFVOOPFAYCNFE-UHFFFAOYSA-N 1 0 322.359 2.221 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226463174 402328342 /nfs/dbraw/zinc/32/83/42/402328342.db2.gz CXVLXEXITGMWGY-LBPRGKRZSA-N 1 0 316.854 2.411 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000176688500 402328693 /nfs/dbraw/zinc/32/86/93/402328693.db2.gz RJCJQXJTPRFDHE-UHTWSYAYSA-N 1 0 323.462 2.468 10 0 DEAERO OCC[C@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000227567728 402332420 /nfs/dbraw/zinc/33/24/20/402332420.db2.gz ISIYXRVFBPQCRR-GFCCVEGCSA-N 1 0 307.419 2.435 10 0 DEAERO COC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1Br ZINC000228653823 402339087 /nfs/dbraw/zinc/33/90/87/402339087.db2.gz GGKNTEKBXWWMIH-ZANVPECISA-N 1 0 316.195 2.024 10 0 DEAERO C[NH2+]C1CCN(C(=O)Cc2coc(-c3cccs3)n2)CC1 ZINC000237116378 402395265 /nfs/dbraw/zinc/39/52/65/402395265.db2.gz RXUGWFXHPLKWPF-UHFFFAOYSA-N 1 0 305.403 2.156 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000161796159 402399829 /nfs/dbraw/zinc/39/98/29/402399829.db2.gz JUJHLHSCVFZSKD-MNOVXSKESA-N 1 0 305.205 2.270 10 0 DEAERO COc1ccc(O[C@@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1 ZINC000237233162 402400629 /nfs/dbraw/zinc/40/06/29/402400629.db2.gz WJIPBKNSSVPRAV-SUMWQHHRSA-N 1 0 308.422 2.342 10 0 DEAERO COc1cccc(N2CCC[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C2)c1 ZINC000237253091 402401318 /nfs/dbraw/zinc/40/13/18/402401318.db2.gz IUVFYVBTCIOBTM-PBHICJAKSA-N 1 0 319.449 2.154 10 0 DEAERO COc1cccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000237356123 402405662 /nfs/dbraw/zinc/40/56/62/402405662.db2.gz PDZLQBDDPNMFCH-XIRDDKMYSA-N 1 0 302.418 2.275 10 0 DEAERO COC(=O)c1ccc(NC[C@@H]2CC[N@H+](CC(C)C)C2)nc1OC ZINC000186168496 402407406 /nfs/dbraw/zinc/40/74/06/402407406.db2.gz BXBBLSFWRZELIW-ZDUSSCGKSA-N 1 0 321.421 2.267 10 0 DEAERO C[C@H](CC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C1CC[NH2+]CC1 ZINC000237522429 402411267 /nfs/dbraw/zinc/41/12/67/402411267.db2.gz QLYBDBTYXUXBFG-CZUORRHYSA-N 1 0 304.438 2.489 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000162234775 402413954 /nfs/dbraw/zinc/41/39/54/402413954.db2.gz CLABMXBZHQNBDE-UHFFFAOYSA-N 1 0 319.430 2.139 10 0 DEAERO CNC(=O)Cc1nc(CN2CCC[C@H]2c2cccn2C)cs1 ZINC000177548390 402414936 /nfs/dbraw/zinc/41/49/36/402414936.db2.gz GVRKJWCAYITQRY-AWEZNQCLSA-N 1 0 318.446 2.107 10 0 DEAERO Cc1nn(C)c(C)c1CCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237610347 402415277 /nfs/dbraw/zinc/41/52/77/402415277.db2.gz LZRSJFLATHBHPQ-SJKOYZFVSA-N 1 0 314.433 2.032 10 0 DEAERO O=C(COc1ccc(F)c(Cl)c1)NCC[C@@H]1CCC[NH2+]C1 ZINC000237764911 402420202 /nfs/dbraw/zinc/42/02/02/402420202.db2.gz JFNJIJJBLMQCNH-NSHDSACASA-N 1 0 314.788 2.364 10 0 DEAERO Cc1ccn(-c2ccccc2NC(=O)C[C@H]2CSCC[NH2+]2)n1 ZINC000237860639 402423877 /nfs/dbraw/zinc/42/38/77/402423877.db2.gz RYXVROOTPVPJHI-ZDUSSCGKSA-N 1 0 316.430 2.214 10 0 DEAERO CN(CC[NH+](C)C)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000177679998 402426255 /nfs/dbraw/zinc/42/62/55/402426255.db2.gz MLCSPLWPUVOYIO-UHFFFAOYSA-N 1 0 306.797 2.159 10 0 DEAERO Cc1cc(C)cc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000177693486 402427397 /nfs/dbraw/zinc/42/73/97/402427397.db2.gz USDMBYWKZFPUHC-WBVHZDCISA-N 1 0 317.433 2.488 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)NCCc1cccs1 ZINC000177713976 402429299 /nfs/dbraw/zinc/42/92/99/402429299.db2.gz RDGHAHJIZHTKDA-GJZGRUSLSA-N 1 0 323.506 2.211 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000177713766 402429606 /nfs/dbraw/zinc/42/96/06/402429606.db2.gz LSHLXUBSZXGYGM-QWHCGFSZSA-N 1 0 324.856 2.478 10 0 DEAERO NC(=O)N1CCC([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000186433253 402430821 /nfs/dbraw/zinc/43/08/21/402430821.db2.gz GQKGFEXJDMVZBZ-ZDUSSCGKSA-N 1 0 315.339 2.465 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)CCC3CC3)C2=O)n(C)n1 ZINC000186462143 402432939 /nfs/dbraw/zinc/43/29/39/402432939.db2.gz WIIBPFILMZKQHD-SWLSCSKDSA-N 1 0 304.438 2.392 10 0 DEAERO O=C(c1cnn(Cc2ccccc2)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186498988 402436317 /nfs/dbraw/zinc/43/63/17/402436317.db2.gz IUXHIVFAXOBEGQ-QGZVFWFLSA-N 1 0 324.428 2.288 10 0 DEAERO O=C(c1ccc(-n2cccn2)cc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186508711 402437177 /nfs/dbraw/zinc/43/71/77/402437177.db2.gz MIBLDLPSNMNNCQ-OAHLLOKOSA-N 1 0 310.401 2.229 10 0 DEAERO CC(C)[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1C)[NH+]1CCCCCC1 ZINC000162970885 402438101 /nfs/dbraw/zinc/43/81/01/402438101.db2.gz GSCLGWRFCRBQHL-OAGGEKHMSA-N 1 0 311.470 2.364 10 0 DEAERO CCC1(CC)CC[NH+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000186546370 402440602 /nfs/dbraw/zinc/44/06/02/402440602.db2.gz ZCWZBBIJCFMDAY-CQSZACIVSA-N 1 0 323.481 2.014 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2nc(C)c(C)s2)C1 ZINC000177853883 402441026 /nfs/dbraw/zinc/44/10/26/402441026.db2.gz IPYXUCMUOPYRFD-ZDUSSCGKSA-N 1 0 310.467 2.086 10 0 DEAERO O=C(NCCC[NH+]1CCCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000177891522 402442891 /nfs/dbraw/zinc/44/28/91/402442891.db2.gz CVUZJYAESJMCGF-FUHWJXTLSA-N 1 0 323.481 2.199 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000177943992 402446139 /nfs/dbraw/zinc/44/61/39/402446139.db2.gz KGRVNEDAJVIWBY-AEFFLSMTSA-N 1 0 308.466 2.260 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)O1 ZINC000177954991 402446677 /nfs/dbraw/zinc/44/66/77/402446677.db2.gz UNBOKYKKEXSRTI-PBHICJAKSA-N 1 0 302.418 2.466 10 0 DEAERO CC(C)CNC(=O)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000177324952 402391721 /nfs/dbraw/zinc/39/17/21/402391721.db2.gz HCYGUBJDCPGULC-CQSZACIVSA-N 1 0 300.406 2.295 10 0 DEAERO C[C@H](OCc1ccccc1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000185949397 402391894 /nfs/dbraw/zinc/39/18/94/402391894.db2.gz XRMVYFMNERKIHI-YQQAZPJKSA-N 1 0 302.418 2.287 10 0 DEAERO Cc1[nH]ccc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000177337413 402392593 /nfs/dbraw/zinc/39/25/93/402392593.db2.gz HGXAPGVPHFMLTQ-UHFFFAOYSA-N 1 0 318.465 2.003 10 0 DEAERO CC[NH+](CC)CCNC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000177337764 402392814 /nfs/dbraw/zinc/39/28/14/402392814.db2.gz SVFOBDBXQSYPHX-CYBMUJFWSA-N 1 0 323.441 2.381 10 0 DEAERO CCC[C@H](C(=O)NCc1cnn(Cc2ccccc2)c1)[NH+](C)C ZINC000161597131 402393352 /nfs/dbraw/zinc/39/33/52/402393352.db2.gz NTPRKLCOEZHNNM-QGZVFWFLSA-N 1 0 314.433 2.278 10 0 DEAERO CCOC(=O)C[C@@](C)([NH2+]Cc1nnc(C)n1C1CC1)C(C)C ZINC000186668430 402453346 /nfs/dbraw/zinc/45/33/46/402453346.db2.gz NMPJDVNYLSNGHL-MRXNPFEDSA-N 1 0 308.426 2.379 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCN1c1nccs1 ZINC000245435411 402460534 /nfs/dbraw/zinc/46/05/34/402460534.db2.gz STAWWXHTBBOPBP-ZIAGYGMSSA-N 1 0 322.478 2.055 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N[C@H](C)c1cccs1 ZINC000245467541 402464061 /nfs/dbraw/zinc/46/40/61/402464061.db2.gz KALIUFOVRIZWSM-ZIAGYGMSSA-N 1 0 309.479 2.341 10 0 DEAERO CO[C@@H](C)c1noc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000245472399 402464159 /nfs/dbraw/zinc/46/41/59/402464159.db2.gz OZOWYZLQJRVRQZ-MJBXVCDLSA-N 1 0 308.426 2.224 10 0 DEAERO Cc1csc(N2CCC([NH2+][C@@H]3CCCn4ncnc43)CC2)n1 ZINC000164670250 402466922 /nfs/dbraw/zinc/46/69/22/402466922.db2.gz WZITYAIJSLUQKC-CYBMUJFWSA-N 1 0 318.450 2.137 10 0 DEAERO O=C(CC[NH+]1CCC(n2cncn2)CC1)c1ccc(F)cc1F ZINC000186904576 402470370 /nfs/dbraw/zinc/47/03/70/402470370.db2.gz PEYWSRXIZSWYBV-UHFFFAOYSA-N 1 0 320.343 2.466 10 0 DEAERO CCOc1ccc2cc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)[nH]c2c1 ZINC000186933518 402471629 /nfs/dbraw/zinc/47/16/29/402471629.db2.gz UQMLPMJHILXOLU-CFVMTHIKSA-N 1 0 313.401 2.376 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1csc(Br)c1 ZINC000165451188 402476168 /nfs/dbraw/zinc/47/61/68/402476168.db2.gz KTPAKBBUZPDQLM-NSHDSACASA-N 1 0 308.241 2.388 10 0 DEAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245644074 402476484 /nfs/dbraw/zinc/47/64/84/402476484.db2.gz BSNHTSRQCAANOL-DANNLKNASA-N 1 0 324.371 2.251 10 0 DEAERO COC(=O)c1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)o1 ZINC000245684011 402479241 /nfs/dbraw/zinc/47/92/41/402479241.db2.gz MBPPQDLGARNAIV-OLZOCXBDSA-N 1 0 320.389 2.154 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@@H](C)O1 ZINC000245699773 402480703 /nfs/dbraw/zinc/48/07/03/402480703.db2.gz ZANPUTGZHODSPZ-SRABZTEZSA-N 1 0 317.433 2.251 10 0 DEAERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C)nc1C)CC2 ZINC000187075735 402480870 /nfs/dbraw/zinc/48/08/70/402480870.db2.gz MQIOWEIVPSSTNZ-IAGOWNOFSA-N 1 0 304.434 2.450 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000245709981 402481391 /nfs/dbraw/zinc/48/13/91/402481391.db2.gz FVAMBEZDMZNQCX-RYUDHWBXSA-N 1 0 300.805 2.366 10 0 DEAERO COC(=O)c1coc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178303772 402482368 /nfs/dbraw/zinc/48/23/68/402482368.db2.gz HVXVWGFULDWXAU-CQSZACIVSA-N 1 0 303.362 2.236 10 0 DEAERO CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178304793 402482876 /nfs/dbraw/zinc/48/28/76/402482876.db2.gz OUMOOTPGTFSMHG-GDBMZVCRSA-N 1 0 306.454 2.351 10 0 DEAERO Fc1ccccc1-c1n[nH]cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245745672 402484912 /nfs/dbraw/zinc/48/49/12/402484912.db2.gz MQDMXEGHHOLCCR-AWEZNQCLSA-N 1 0 300.381 2.496 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC000245766278 402486269 /nfs/dbraw/zinc/48/62/69/402486269.db2.gz QWWOXVKSVRPGJC-OAHLLOKOSA-N 1 0 319.449 2.188 10 0 DEAERO CC(C)Cc1ncc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)s1 ZINC000245781558 402487685 /nfs/dbraw/zinc/48/76/85/402487685.db2.gz UKNKZCMHFZIEIW-GOEBONIOSA-N 1 0 323.506 2.494 10 0 DEAERO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@](C)(O)C(C)C)C2)n1 ZINC000187207209 402488034 /nfs/dbraw/zinc/48/80/34/402488034.db2.gz GKXRQOZJVIDCGT-YJBOKZPZSA-N 1 0 319.449 2.448 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000187935802 402513486 /nfs/dbraw/zinc/51/34/86/402513486.db2.gz ZUEWPODXDNTQRO-JFBPSJKJSA-N 1 0 310.482 2.410 10 0 DEAERO CCC1(CC)[C@H]([NH2+][C@H]2CCCn3nc(COC)nc32)C[C@@H]1OC ZINC000245829294 402489644 /nfs/dbraw/zinc/48/96/44/402489644.db2.gz BLYOBMKKZJDJMZ-MJBXVCDLSA-N 1 0 322.453 2.443 10 0 DEAERO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000245859146 402491815 /nfs/dbraw/zinc/49/18/15/402491815.db2.gz CZTNTSHAMSRUIV-UTUOFQBUSA-N 1 0 312.360 2.283 10 0 DEAERO C[N@H+]([C@H]1Cc2ccccc2[C@@H]1O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000245858117 402492184 /nfs/dbraw/zinc/49/21/84/402492184.db2.gz OCHLGCZJIPSXIL-AYBZRNKSSA-N 1 0 324.428 2.036 10 0 DEAERO COc1ccc(O)cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000187303196 402493177 /nfs/dbraw/zinc/49/31/77/402493177.db2.gz DZUOBTFVZVSTLS-UHFFFAOYSA-N 1 0 306.406 2.397 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCCc2ccccn2)C1 ZINC000178413335 402495726 /nfs/dbraw/zinc/49/57/26/402495726.db2.gz DYOWLQBQVPPQOJ-MRXNPFEDSA-N 1 0 318.465 2.388 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)NCCCc2ccccn2)C1 ZINC000178413362 402495747 /nfs/dbraw/zinc/49/57/47/402495747.db2.gz NRTKAPFCFHLDFY-INIZCTEOSA-N 1 0 304.438 2.140 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCCc2ccccn2)CC[N@@H+]1C ZINC000178417637 402496560 /nfs/dbraw/zinc/49/65/60/402496560.db2.gz VGIBJRXYOPJDQU-ZBFHGGJFSA-N 1 0 304.438 2.138 10 0 DEAERO CC(C)c1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc(=O)[nH]1 ZINC000245917788 402497437 /nfs/dbraw/zinc/49/74/37/402497437.db2.gz XABPWDVAQODQDL-SWLSCSKDSA-N 1 0 305.422 2.369 10 0 DEAERO Cc1cccc(N2CCC(NC(=O)CCCCCC[NH3+])CC2)n1 ZINC000169022939 402499204 /nfs/dbraw/zinc/49/92/04/402499204.db2.gz QQMLJHOUPMETCU-UHFFFAOYSA-N 1 0 318.465 2.384 10 0 DEAERO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000245994647 402502485 /nfs/dbraw/zinc/50/24/85/402502485.db2.gz IJEKHEZVCOHWGI-ZIAGYGMSSA-N 1 0 319.453 2.048 10 0 DEAERO O=C1NCCCC[C@@H]1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000246006280 402503154 /nfs/dbraw/zinc/50/31/54/402503154.db2.gz YVYUKYYQUIOUEB-SJORKVTESA-N 1 0 307.482 2.243 10 0 DEAERO CO[C@@H]1CN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC[C@@H]1C ZINC000187620069 402506035 /nfs/dbraw/zinc/50/60/35/402506035.db2.gz RTCZDMUUXDDZMP-CAOSSQGBSA-N 1 0 311.470 2.173 10 0 DEAERO C[C@@H]1CN(CCOc2cccc3ccccc32)CC[N@@H+]1CCO ZINC000187711986 402509154 /nfs/dbraw/zinc/50/91/54/402509154.db2.gz JBAHETXCJZNBJT-MRXNPFEDSA-N 1 0 314.429 2.217 10 0 DEAERO Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCS(=O)(=O)C3)C2)cc1 ZINC000246095430 402509278 /nfs/dbraw/zinc/50/92/78/402509278.db2.gz XHVPDQVPFARJDG-HOTGVXAUSA-N 1 0 322.474 2.131 10 0 DEAERO C[C@@H]1CN(Cc2c(Cl)cccc2Cl)CC[N@@H+]1CCO ZINC000187722462 402509450 /nfs/dbraw/zinc/50/94/50/402509450.db2.gz FZEQVTSBHZYPGT-LLVKDONJSA-N 1 0 303.233 2.492 10 0 DEAERO CCOc1ccccc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246778970 402544241 /nfs/dbraw/zinc/54/42/41/402544241.db2.gz 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ZINC000173872231 402716149 /nfs/dbraw/zinc/71/61/49/402716149.db2.gz CDRHRTCYEHDDDN-OAHLLOKOSA-N 1 0 305.470 2.246 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000173883674 402716661 /nfs/dbraw/zinc/71/66/61/402716661.db2.gz PGQJAZFMANWHAR-JSGCOSHPSA-N 1 0 314.426 2.141 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000173884626 402716732 /nfs/dbraw/zinc/71/67/32/402716732.db2.gz WYMABYFLLSCNMG-RISCZKNCSA-N 1 0 316.854 2.347 10 0 DEAERO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172541828 402661831 /nfs/dbraw/zinc/66/18/31/402661831.db2.gz NZALXBKBTTXBFK-MRXNPFEDSA-N 1 0 315.461 2.204 10 0 DEAERO Cc1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)s1 ZINC000253207729 402661888 /nfs/dbraw/zinc/66/18/88/402661888.db2.gz HOOREDARYJELFV-WOSRLPQWSA-N 1 0 308.447 2.205 10 0 DEAERO COCC[N@@H+]1CCN(Cc2ccc(N(C)C(C)C)nc2)C[C@@H]1C ZINC000191336734 402662001 /nfs/dbraw/zinc/66/20/01/402662001.db2.gz BMCZCVHXARFACB-INIZCTEOSA-N 1 0 320.481 2.079 10 0 DEAERO CS[C@@H](C(=O)NC[C@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000172551139 402662270 /nfs/dbraw/zinc/66/22/70/402662270.db2.gz CVLZLLPSNNAIRC-JKSUJKDBSA-N 1 0 320.458 2.070 10 0 DEAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191363920 402664274 /nfs/dbraw/zinc/66/42/74/402664274.db2.gz YYQDKGFVKJJYFX-NEPJUHHUSA-N 1 0 315.483 2.420 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000182054512 402665482 /nfs/dbraw/zinc/66/54/82/402665482.db2.gz OEDYXVKGBMTDMR-KBXCAEBGSA-N 1 0 319.449 2.406 10 0 DEAERO CC[C@@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1nccs1 ZINC000172615671 402666487 /nfs/dbraw/zinc/66/64/87/402666487.db2.gz STAYAHRCTXJPML-CYBMUJFWSA-N 1 0 308.451 2.474 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000172613460 402666538 /nfs/dbraw/zinc/66/65/38/402666538.db2.gz QSCKQTYWXCTUDI-LBPRGKRZSA-N 1 0 320.437 2.102 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1COc2ccccc21 ZINC000253549403 402668509 /nfs/dbraw/zinc/66/85/09/402668509.db2.gz RJTDOPHCYAKBHB-YCPHGPKFSA-N 1 0 300.402 2.248 10 0 DEAERO O=C(c1cc2ccccc2s1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172742062 402672898 /nfs/dbraw/zinc/67/28/98/402672898.db2.gz UJGIPEVYJXHEJY-CQSZACIVSA-N 1 0 316.426 2.448 10 0 DEAERO COc1ccc(/C=C\C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000254984997 402674149 /nfs/dbraw/zinc/67/41/49/402674149.db2.gz INNYAUSKAARTAZ-LYASGUKUSA-N 1 0 316.401 2.024 10 0 DEAERO C[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000172765955 402674811 /nfs/dbraw/zinc/67/48/11/402674811.db2.gz YCVCTQVVTBCVMV-HNNXBMFYSA-N 1 0 316.401 2.421 10 0 DEAERO COC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000182245008 402675919 /nfs/dbraw/zinc/67/59/19/402675919.db2.gz NVNQOTGANHMPLU-ZBFHGGJFSA-N 1 0 319.401 2.353 10 0 DEAERO CCc1nc(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)sc1C ZINC000172800829 402676133 /nfs/dbraw/zinc/67/61/33/402676133.db2.gz KHNIFULECOXCRF-CYBMUJFWSA-N 1 0 322.478 2.123 10 0 DEAERO Cn1nnc2ccc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc21 ZINC000182253312 402676699 /nfs/dbraw/zinc/67/66/99/402676699.db2.gz CYMJVZDORNAFCG-QGZVFWFLSA-N 1 0 323.400 2.001 10 0 DEAERO CO[C@@H](C)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000182286289 402678504 /nfs/dbraw/zinc/67/85/04/402678504.db2.gz HCIFSSVLGPAIHD-AWEZNQCLSA-N 1 0 302.418 2.323 10 0 DEAERO CC(C)OCCCC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000182304673 402679820 /nfs/dbraw/zinc/67/98/20/402679820.db2.gz FMOODDMIGMPVIW-QGZVFWFLSA-N 1 0 306.450 2.481 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2ccc(Cl)cc2)C[C@H]1C ZINC000255162766 402680556 /nfs/dbraw/zinc/68/05/56/402680556.db2.gz MBCBBPXVULSUAX-GMOCCLDISA-N 1 0 322.836 2.267 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000173025500 402682849 /nfs/dbraw/zinc/68/28/49/402682849.db2.gz APEBYCGXDLMBDU-VIFPVBQESA-N 1 0 324.368 2.113 10 0 DEAERO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000173256671 402689570 /nfs/dbraw/zinc/68/95/70/402689570.db2.gz IVHPBQWSNVWDKE-CZUORRHYSA-N 1 0 322.497 2.308 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)CC2CCCCC2)CC[N@@H+]1C ZINC000173276796 402690667 /nfs/dbraw/zinc/69/06/67/402690667.db2.gz KTICVGNZJXQAOL-DZGCQCFKSA-N 1 0 302.484 2.311 10 0 DEAERO COc1cccc(CC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000182464074 402692165 /nfs/dbraw/zinc/69/21/65/402692165.db2.gz YOEXFWBCAJTGLG-HOTGVXAUSA-N 1 0 311.447 2.183 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCCOc2ccccc2)CC[N@@H+]1C ZINC000173366439 402694258 /nfs/dbraw/zinc/69/42/58/402694258.db2.gz PAEAGZFPTCVBOD-HUUCEWRRSA-N 1 0 305.422 2.190 10 0 DEAERO O=C(NC1C2CC3CC(C2)CC1C3)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173448186 402698003 /nfs/dbraw/zinc/69/80/03/402698003.db2.gz MFIKZSMDNGKJEF-NFSPANSCSA-N 1 0 315.461 2.467 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1cccc2cc[nH]c21 ZINC000173529301 402701493 /nfs/dbraw/zinc/70/14/93/402701493.db2.gz ARRKYDVNEMZAAZ-UHFFFAOYSA-N 1 0 301.390 2.010 10 0 DEAERO C[C@H](c1nnnn1C1CC1)N1CCC[C@H](c2nccs2)C1 ZINC000191977893 402702081 /nfs/dbraw/zinc/70/20/81/402702081.db2.gz NWXDVKPTHSAYFG-MNOVXSKESA-N 1 0 304.423 2.405 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(Cc3cccc(Cl)n3)CC2)CCO1 ZINC000173559383 402703010 /nfs/dbraw/zinc/70/30/10/402703010.db2.gz GSSXLSVXPVZKDD-CYBMUJFWSA-N 1 0 309.841 2.420 10 0 DEAERO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](CO)c2ccccc2)sc1C ZINC000182916218 402726697 /nfs/dbraw/zinc/72/66/97/402726697.db2.gz RSAIKVJWLDEOEN-BXUZGUMPSA-N 1 0 319.430 2.410 10 0 DEAERO CCCCc1nc(CN2CC[NH+]([C@@H](CC)CO)CC2)cs1 ZINC000174129817 402728062 /nfs/dbraw/zinc/72/80/62/402728062.db2.gz KXRSJKINGHIIPK-HNNXBMFYSA-N 1 0 311.495 2.374 10 0 DEAERO C[C@@H]1CO[C@@H](C)CN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000182935315 402728217 /nfs/dbraw/zinc/72/82/17/402728217.db2.gz DJZRINGNGLTRAV-OLZOCXBDSA-N 1 0 323.412 2.206 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000262637678 402728755 /nfs/dbraw/zinc/72/87/55/402728755.db2.gz QMDUDPHLQXRYFV-UAGQMJEPSA-N 1 0 302.418 2.283 10 0 DEAERO COc1ccccc1OCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174172858 402729917 /nfs/dbraw/zinc/72/99/17/402729917.db2.gz GHCFJQIZLHQRNG-GOOCMWNKSA-N 1 0 318.417 2.206 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000262754165 402730243 /nfs/dbraw/zinc/73/02/43/402730243.db2.gz OFXPVGAYYXOCJK-IKGGRYGDSA-N 1 0 302.418 2.331 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cc1ccccc1C(F)(F)F ZINC000262825978 402734583 /nfs/dbraw/zinc/73/45/83/402734583.db2.gz PWBDNCBCRZLYDF-GXFFZTMASA-N 1 0 300.324 2.362 10 0 DEAERO COCc1csc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000174376719 402738343 /nfs/dbraw/zinc/73/83/43/402738343.db2.gz WWFUYWSDXYCRKJ-CMPLNLGQSA-N 1 0 312.439 2.236 10 0 DEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192618646 402740379 /nfs/dbraw/zinc/74/03/79/402740379.db2.gz ISQWMQNVPLGWMT-OCCSQVGLSA-N 1 0 319.474 2.418 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CN1C1CC1 ZINC000192626651 402740920 /nfs/dbraw/zinc/74/09/20/402740920.db2.gz YPZLGRXPHUGVLW-YPMHNXCESA-N 1 0 317.458 2.315 10 0 DEAERO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)[C@H]1CCCO1 ZINC000183138314 402742497 /nfs/dbraw/zinc/74/24/97/402742497.db2.gz RCXUDTLHKWNLCE-GXSJLCMTSA-N 1 0 302.827 2.175 10 0 DEAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(C)oc2C)CC1 ZINC000183146851 402742883 /nfs/dbraw/zinc/74/28/83/402742883.db2.gz JZZHZRBVTKHSLJ-UHFFFAOYSA-N 1 0 314.451 2.297 10 0 DEAERO CCOCCNC(=O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000183224862 402748510 /nfs/dbraw/zinc/74/85/10/402748510.db2.gz MIAMHPHEQSWHGH-KRWDZBQOSA-N 1 0 304.434 2.442 10 0 DEAERO COc1ccc2nc(N3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)ccc2c1 ZINC000174732385 402753985 /nfs/dbraw/zinc/75/39/85/402753985.db2.gz GTQAVKKSTAHOFJ-ZIAGYGMSSA-N 1 0 315.417 2.135 10 0 DEAERO O=C(C1C[NH2+]C1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000263282653 402754179 /nfs/dbraw/zinc/75/41/79/402754179.db2.gz KALHLGUUIQEEGE-UHFFFAOYSA-N 1 0 307.397 2.459 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(OC3CCC3)cc2)n1 ZINC000263295477 402755354 /nfs/dbraw/zinc/75/53/54/402755354.db2.gz WGHMCAPSDQXZFQ-OAHLLOKOSA-N 1 0 314.389 2.244 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000183316522 402756209 /nfs/dbraw/zinc/75/62/09/402756209.db2.gz HFFFVFSBRBLJIA-UHFFFAOYSA-N 1 0 320.481 2.204 10 0 DEAERO NC(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000183336420 402757588 /nfs/dbraw/zinc/75/75/88/402757588.db2.gz DWOARVGXPPOXAW-CQSZACIVSA-N 1 0 322.840 2.051 10 0 DEAERO O=CNc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000174829200 402759055 /nfs/dbraw/zinc/75/90/55/402759055.db2.gz OPMXMGZAKCWQGN-UHFFFAOYSA-N 1 0 315.417 2.203 10 0 DEAERO CCc1nc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cs1 ZINC000174847770 402760553 /nfs/dbraw/zinc/76/05/53/402760553.db2.gz QOCGHIOLTHHKMW-QWHCGFSZSA-N 1 0 320.462 2.422 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)OC[C@@H]1CCCCO1 ZINC000174978086 402768607 /nfs/dbraw/zinc/76/86/07/402768607.db2.gz 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403466055 /nfs/dbraw/zinc/46/60/55/403466055.db2.gz SMGFNMOSUFUOIK-UHFFFAOYSA-N 1 0 316.430 2.306 10 0 DEAERO CC[N@@H+]1CCC[C@H](Nc2nc(C(F)(F)F)nc3nc[nH]c32)C1 ZINC000301102756 403590420 /nfs/dbraw/zinc/59/04/20/403590420.db2.gz SAKYNGVXPQTTHR-QMMMGPOBSA-N 1 0 314.315 2.268 10 0 DEAERO c1nc(N2CCCCC2)cc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000301246598 403605320 /nfs/dbraw/zinc/60/53/20/403605320.db2.gz QDRGTJOQDFSUFL-OAHLLOKOSA-N 1 0 301.438 2.141 10 0 DEAERO Cc1cc(C)n(-c2cncc(N(C)CC3CC[NH+](C)CC3)n2)n1 ZINC000301172779 403598061 /nfs/dbraw/zinc/59/80/61/403598061.db2.gz FLHBKEZFUMPRMQ-UHFFFAOYSA-N 1 0 314.437 2.057 10 0 DEAERO C[N@H+](CCCO)C1CCN(c2ccnc3cc(F)cnc32)CC1 ZINC000287480549 403606844 /nfs/dbraw/zinc/60/68/44/403606844.db2.gz XLGCAYKJJCRSCH-UHFFFAOYSA-N 1 0 318.396 2.052 10 0 DEAERO CNC(=O)c1cccnc1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000301339458 403617506 /nfs/dbraw/zinc/61/75/06/403617506.db2.gz FBVJTGYDPNEALJ-OAHLLOKOSA-N 1 0 316.380 2.295 10 0 DEAERO 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ZINC000341245700 403862311 /nfs/dbraw/zinc/86/23/11/403862311.db2.gz DFXRLXLCVWWLHK-SJORKVTESA-N 1 0 306.475 2.109 10 0 DEAERO O=C(NC[C@@H]1CCOC2(CCC2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333846688 403883751 /nfs/dbraw/zinc/88/37/51/403883751.db2.gz WKRPKTBQTSNZCR-OAHLLOKOSA-N 1 0 321.465 2.121 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000295366575 403884378 /nfs/dbraw/zinc/88/43/78/403884378.db2.gz ZOLGPKRSWHLLAA-NHYWBVRUSA-N 1 0 304.390 2.373 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000341365326 403932788 /nfs/dbraw/zinc/93/27/88/403932788.db2.gz JACQCIWOQWIFEW-VSZNYVQBSA-N 1 0 308.466 2.430 10 0 DEAERO Cc1nnc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1C1CC1 ZINC000337311099 403981373 /nfs/dbraw/zinc/98/13/73/403981373.db2.gz UZEAIEFYGILLHO-XHSDSOJGSA-N 1 0 304.438 2.437 10 0 DEAERO CCC1CCC(NC(=O)CC2CC[NH+](C)CC2)(C(=O)OC)CC1 ZINC000362949350 404020525 /nfs/dbraw/zinc/02/05/25/404020525.db2.gz NWIHFMDLRLKGER-UHFFFAOYSA-N 1 0 324.465 2.347 10 0 DEAERO CC(=O)N1CCc2cc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc21 ZINC000344202254 403973882 /nfs/dbraw/zinc/97/38/82/403973882.db2.gz NUWLMYISCMAPTI-WFASDCNBSA-N 1 0 315.417 2.264 10 0 DEAERO COc1nccc(CN[C@@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000295530991 403974879 /nfs/dbraw/zinc/97/48/79/403974879.db2.gz WREACJDPNKIDSH-AWEZNQCLSA-N 1 0 300.406 2.095 10 0 DEAERO O=C1CCCN1C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000363571218 404190345 /nfs/dbraw/zinc/19/03/45/404190345.db2.gz KCVFUNSDCIMWHW-UHFFFAOYSA-N 1 0 306.381 2.291 10 0 DEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(Br)c1F ZINC000296862872 404346725 /nfs/dbraw/zinc/34/67/25/404346725.db2.gz PCCVWDNHHQRZOU-KWQFWETISA-N 1 0 315.186 2.345 10 0 DEAERO COc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000364077048 404309341 /nfs/dbraw/zinc/30/93/41/404309341.db2.gz NPIGPFBFMMDGNP-ZIAGYGMSSA-N 1 0 318.417 2.369 10 0 DEAERO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000414085312 404508394 /nfs/dbraw/zinc/50/83/94/404508394.db2.gz YDPFOSQEIZWCGK-DAYGRLMNSA-N 1 0 315.461 2.489 10 0 DEAERO C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000342472736 404601967 /nfs/dbraw/zinc/60/19/67/404601967.db2.gz QURQZIPEKCUZPR-OKZBNKHCSA-N 1 0 308.466 2.273 10 0 DEAERO CCSc1nccnc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365465533 404668252 /nfs/dbraw/zinc/66/82/52/404668252.db2.gz JFRPHTMRYKWYMK-UHFFFAOYSA-N 1 0 320.462 2.335 10 0 DEAERO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@](O)(C2CC2)C1 ZINC000365880337 404738459 /nfs/dbraw/zinc/73/84/59/404738459.db2.gz WNIFPGXRUJQDRU-LJQANCHMSA-N 1 0 314.429 2.269 10 0 DEAERO CCc1cccnc1[C@H](C)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000356886029 404716548 /nfs/dbraw/zinc/71/65/48/404716548.db2.gz XIPVGOTURJICQC-BBRMVZONSA-N 1 0 317.433 2.075 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000415258436 404835475 /nfs/dbraw/zinc/83/54/75/404835475.db2.gz CGWQXZSDWNBYGC-AWEZNQCLSA-N 1 0 318.421 2.323 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](CCCCC(F)(F)F)CC12COC2 ZINC000451138132 404877151 /nfs/dbraw/zinc/87/71/51/404877151.db2.gz PZVFOUYZQUXVIJ-LLVKDONJSA-N 1 0 309.328 2.231 10 0 DEAERO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)c2cccc(F)c2)CC12COC2 ZINC000451140293 404877865 /nfs/dbraw/zinc/87/78/65/404877865.db2.gz TYTWANYZECUOLW-IUODEOHRSA-N 1 0 307.365 2.398 10 0 DEAERO CC[NH+](CC)CC1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000360963403 404863476 /nfs/dbraw/zinc/86/34/76/404863476.db2.gz BOPWHOQBXHMDOU-UHFFFAOYSA-N 1 0 314.437 2.221 10 0 DEAERO Cn1cc(C[N@@H+]2CCC[C@@H]2Cn2cncn2)c(-c2ccccc2)n1 ZINC000378441817 404965725 /nfs/dbraw/zinc/96/57/25/404965725.db2.gz IGKVIJMSAHADPG-QGZVFWFLSA-N 1 0 322.416 2.343 10 0 DEAERO CC(=O)N1CCC(Nc2cccc3c2OCC[C@H]3[NH+](C)C)CC1 ZINC000435025623 404951439 /nfs/dbraw/zinc/95/14/39/404951439.db2.gz JGYQGMNZTLRWPX-QGZVFWFLSA-N 1 0 317.433 2.495 10 0 DEAERO O[C@H](CC1CCCC1)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408041271 405097249 /nfs/dbraw/zinc/09/72/49/405097249.db2.gz BXNLTTVMFJIDFF-BRSBDYLESA-N 1 0 311.466 2.180 10 0 DEAERO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000367472463 405061359 /nfs/dbraw/zinc/06/13/59/405061359.db2.gz MIZBSGOHXGRRJG-MRXNPFEDSA-N 1 0 322.416 2.380 10 0 DEAERO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)o1 ZINC000367477840 405062887 /nfs/dbraw/zinc/06/28/87/405062887.db2.gz UVONNYRPOXXCIC-LLVKDONJSA-N 1 0 317.345 2.316 10 0 DEAERO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000407961528 405076419 /nfs/dbraw/zinc/07/64/19/405076419.db2.gz HOOMBLXEWRYMAH-XJFOESAGSA-N 1 0 323.437 2.290 10 0 DEAERO Cc1cc(=O)[nH]c(C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000408025054 405092613 /nfs/dbraw/zinc/09/26/13/405092613.db2.gz NGKDOVIWRCUFNN-OCCSQVGLSA-N 1 0 300.362 2.015 10 0 DEAERO CC(C)(O)[C@@H]1CCC[N@@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408032449 405093476 /nfs/dbraw/zinc/09/34/76/405093476.db2.gz XDSFVSPIXYUAIU-DZPQGLOJSA-N 1 0 320.477 2.307 10 0 DEAERO c1[nH]nc2c1[C@H]([NH2+]CCCc1nnc3n1CCCCC3)CCC2 ZINC000367618867 405105638 /nfs/dbraw/zinc/10/56/38/405105638.db2.gz OOHWOADBLHYEAZ-CQSZACIVSA-N 1 0 314.437 2.327 10 0 DEAERO CC1(C)CN(CC[S@@](=O)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000361510076 405108328 /nfs/dbraw/zinc/10/83/28/405108328.db2.gz GHKOOTVGMMYEBH-VGOFRKELSA-N 1 0 323.458 2.064 10 0 DEAERO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000361543761 405124656 /nfs/dbraw/zinc/12/46/56/405124656.db2.gz PSNPQLVEVUQUDC-JTQLQIEISA-N 1 0 321.327 2.467 10 0 DEAERO CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000408208288 405138778 /nfs/dbraw/zinc/13/87/78/405138778.db2.gz LTVCMJIPSGGVGR-FPCVCCKLSA-N 1 0 311.470 2.052 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000408320363 405173088 /nfs/dbraw/zinc/17/30/88/405173088.db2.gz KZCFXWHMMSLQOO-QWRGUYRKSA-N 1 0 308.451 2.192 10 0 DEAERO COC1([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2)CCOCC1 ZINC000453055024 405279851 /nfs/dbraw/zinc/27/98/51/405279851.db2.gz ILBOISYMBSMFHJ-FUHWJXTLSA-N 1 0 318.461 2.435 10 0 DEAERO COc1ccc(CC[NH2+][C@@H](C)C2(OC)CCOCC2)cc1OC ZINC000453058256 405280550 /nfs/dbraw/zinc/28/05/50/405280550.db2.gz OOXFTIGQJNQDNP-AWEZNQCLSA-N 1 0 323.433 2.420 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N3CCC3=O)cc2)CC[N@@H+]1C ZINC000439970429 405298601 /nfs/dbraw/zinc/29/86/01/405298601.db2.gz ZZSOSOQDCONBQR-OCCSQVGLSA-N 1 0 316.405 2.028 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)c1cc(-c2ccccc2)ns1 ZINC000440117603 405302321 /nfs/dbraw/zinc/30/23/21/405302321.db2.gz BNQQVTOHSHUSOD-UHFFFAOYSA-N 1 0 324.409 2.469 10 0 DEAERO c1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)ccc1CN1CCOCC1 ZINC000420913818 405404012 /nfs/dbraw/zinc/40/40/12/405404012.db2.gz BJORJBGWJLEXNR-IBGZPJMESA-N 1 0 316.445 2.130 10 0 DEAERO O[C@@H](COC[C@H]1CCCO1)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000556506003 405485672 /nfs/dbraw/zinc/48/56/72/405485672.db2.gz SORQBDZVIGSERC-RTBURBONSA-N 1 0 317.429 2.332 10 0 DEAERO CC(=O)N1CCC(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000638528875 405528166 /nfs/dbraw/zinc/52/81/66/405528166.db2.gz VJGVQHLUZRJJSO-GOSISDBHSA-N 1 0 315.461 2.361 10 0 DEAERO C[NH+](C)CCCC(C)(C)NC(=O)c1cccc2nccnc21 ZINC000456174262 405529018 /nfs/dbraw/zinc/52/90/18/405529018.db2.gz SBUUWIPHGNMUDC-UHFFFAOYSA-N 1 0 300.406 2.480 10 0 DEAERO c1cnc(-c2ccnc(NC[C@H]3CC[N@@H+]3C3CCCC3)n2)cn1 ZINC000528210542 405531609 /nfs/dbraw/zinc/53/16/09/405531609.db2.gz LYZRIIXJZHSLAU-CQSZACIVSA-N 1 0 310.405 2.362 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c(F)cccc1Br ZINC000638569579 405549471 /nfs/dbraw/zinc/54/94/71/405549471.db2.gz FELJLGAESBTCPK-WDEREUQCSA-N 1 0 315.186 2.459 10 0 DEAERO O[C@]1(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CCN(Cc2ccccc2)C1 ZINC000638679234 405613486 /nfs/dbraw/zinc/61/34/86/405613486.db2.gz SAVWTPFQKDMFDV-RDGPPVDQSA-N 1 0 300.446 2.259 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H](C)c2c(F)cncc2F)CC1 ZINC000557994620 405637999 /nfs/dbraw/zinc/63/79/99/405637999.db2.gz HJGOXEWMPIPIEO-GFCCVEGCSA-N 1 0 324.375 2.372 10 0 DEAERO C[C@H]1CN(C(=O)c2c(F)cccc2Br)C[C@H]1C[NH3+] ZINC000638893313 405744906 /nfs/dbraw/zinc/74/49/06/405744906.db2.gz YMMRGDGIKOUHCB-DTWKUNHWSA-N 1 0 315.186 2.255 10 0 DEAERO C[C@@H]1CN(C(=O)c2c(F)cccc2Br)C[C@H]1C[NH3+] ZINC000638893317 405744935 /nfs/dbraw/zinc/74/49/35/405744935.db2.gz YMMRGDGIKOUHCB-RKDXNWHRSA-N 1 0 315.186 2.255 10 0 DEAERO Cc1ccc(Br)c(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000638898598 405748762 /nfs/dbraw/zinc/74/87/62/405748762.db2.gz BCYRTVZVTKRXAI-WDEREUQCSA-N 1 0 311.223 2.424 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1C(C)C ZINC000638900631 405750771 /nfs/dbraw/zinc/75/07/71/405750771.db2.gz RXGFPABYTPILQN-ZWNOBZJWSA-N 1 0 305.422 2.316 10 0 DEAERO Cc1cc(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)cs1 ZINC000638994062 405806295 /nfs/dbraw/zinc/80/62/95/405806295.db2.gz HGQOCASCBAIJSF-OAHLLOKOSA-N 1 0 303.431 2.454 10 0 DEAERO c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000530724688 405852619 /nfs/dbraw/zinc/85/26/19/405852619.db2.gz ZKHZPOXWYHCEHH-KRWDZBQOSA-N 1 0 320.400 2.437 10 0 DEAERO c1c(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc2ncccn12 ZINC000459500187 405930264 /nfs/dbraw/zinc/93/02/64/405930264.db2.gz FYDLPGQXQORCJD-KRWDZBQOSA-N 1 0 321.428 2.341 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000423686213 405909012 /nfs/dbraw/zinc/90/90/12/405909012.db2.gz VRHPGGHFCOWHGD-KWQFWETISA-N 1 0 303.189 2.320 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000457622346 405924088 /nfs/dbraw/zinc/92/40/88/405924088.db2.gz LRENZXYJFICFPY-JKSUJKDBSA-N 1 0 318.417 2.384 10 0 DEAERO CC(C)(C)OC(=O)C[C@@H]1CCCN(CC(=O)N2CCCCC2)C1 ZINC000531614587 405984671 /nfs/dbraw/zinc/98/46/71/405984671.db2.gz LZKVVWNWYZDMFJ-HNNXBMFYSA-N 1 0 324.465 2.443 10 0 DEAERO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532124525 406047947 /nfs/dbraw/zinc/04/79/47/406047947.db2.gz QQKJXVHCVHIYPV-QWHCGFSZSA-N 1 0 310.438 2.097 10 0 DEAERO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000532378792 406072702 /nfs/dbraw/zinc/07/27/02/406072702.db2.gz BBUFIHGKFCHKCC-AWEZNQCLSA-N 1 0 310.438 2.053 10 0 DEAERO c1nc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)cc2c1OCCO2 ZINC000639388782 406076580 /nfs/dbraw/zinc/07/65/80/406076580.db2.gz BGYUWWYWKXNUPE-PBHICJAKSA-N 1 0 304.390 2.290 10 0 DEAERO CC[C@@H]([NH2+]CCc1cncn1C)c1ccc2c(c1)OCCO2 ZINC000471770159 406117077 /nfs/dbraw/zinc/11/70/77/406117077.db2.gz MYJATBHOFWHJMC-OAHLLOKOSA-N 1 0 301.390 2.475 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)C(=O)c2ccccc2)CC1 ZINC000471955060 406132125 /nfs/dbraw/zinc/13/21/25/406132125.db2.gz QVUGJABJDDEDPE-UHFFFAOYSA-N 1 0 302.418 2.450 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cnc(-c3cccnc3)s2)C1 ZINC000534175370 406171263 /nfs/dbraw/zinc/17/12/63/406171263.db2.gz OENDWROFEPFVQP-GFCCVEGCSA-N 1 0 316.430 2.277 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000487563531 406246169 /nfs/dbraw/zinc/24/61/69/406246169.db2.gz WMEVZTRUEARQOX-QWHCGFSZSA-N 1 0 314.227 2.230 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000536020222 406248281 /nfs/dbraw/zinc/24/82/81/406248281.db2.gz UALIKBLWGPMDAC-HOTGVXAUSA-N 1 0 302.422 2.183 10 0 DEAERO C[C@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)COCc1ccccc1 ZINC000634747012 406262423 /nfs/dbraw/zinc/26/24/23/406262423.db2.gz VBRZRRFYLZAPJO-AYBZRNKSSA-N 1 0 316.445 2.345 10 0 DEAERO CC(=O)c1ccc(CC(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000632861728 406295349 /nfs/dbraw/zinc/29/53/49/406295349.db2.gz UNEZZGBSRLKFTL-DLBZAZTESA-N 1 0 300.402 2.032 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(C)Cc2cccc(O)c2)CC1 ZINC000545883360 406330795 /nfs/dbraw/zinc/33/07/95/406330795.db2.gz YBYCCHULLGDYRD-UHFFFAOYSA-N 1 0 303.406 2.186 10 0 DEAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000488719229 406340789 /nfs/dbraw/zinc/34/07/89/406340789.db2.gz NQXQGLUHTINUAI-SQWLQELKSA-N 1 0 302.418 2.057 10 0 DEAERO CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C)c1ccccc1 ZINC000488720233 406341506 /nfs/dbraw/zinc/34/15/06/406341506.db2.gz PIKQHUOGBXDDCS-KYJSFNMBSA-N 1 0 304.434 2.203 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000569758727 406298969 /nfs/dbraw/zinc/29/89/69/406298969.db2.gz XFDZXKLINYRKQQ-OAHLLOKOSA-N 1 0 311.470 2.461 10 0 DEAERO Cc1ccc(F)c(C[N@H+](C)C[C@H](O)COC[C@H]2CCCO2)c1 ZINC000520715509 406310337 /nfs/dbraw/zinc/31/03/37/406310337.db2.gz GDAAQRJZPYZRSW-JKSUJKDBSA-N 1 0 311.397 2.122 10 0 DEAERO CC1=CCN(CC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000546562904 406361991 /nfs/dbraw/zinc/36/19/91/406361991.db2.gz PDOGUJXFPBYABM-UHFFFAOYSA-N 1 0 315.396 2.148 10 0 DEAERO Brc1ccc2c(c1)CN(CC13CC(C1)C[NH2+]3)CCO2 ZINC000634994874 406389258 /nfs/dbraw/zinc/38/92/58/406389258.db2.gz OYDMNMOHVHRJMT-UHFFFAOYSA-N 1 0 323.234 2.396 10 0 DEAERO CCc1cnc(CNC(=O)NCC[N@H+]2CC=C(C)CC2)s1 ZINC000547271797 406394415 /nfs/dbraw/zinc/39/44/15/406394415.db2.gz OTOMMGKFFAUPSE-UHFFFAOYSA-N 1 0 308.451 2.157 10 0 DEAERO C[C@@H]([NH2+]CCCn1ccnn1)c1ccc(Br)cn1 ZINC000570598614 406415587 /nfs/dbraw/zinc/41/55/87/406415587.db2.gz MHFBRBONEKZLTF-SNVBAGLBSA-N 1 0 310.199 2.177 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC000570680022 406425520 /nfs/dbraw/zinc/42/55/20/406425520.db2.gz GWKHQYRAXTZEBH-GOSISDBHSA-N 1 0 323.396 2.495 10 0 DEAERO COc1cccc(Cl)c1C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634977632 406381948 /nfs/dbraw/zinc/38/19/48/406381948.db2.gz GRZKLDJILVMYCD-LLVKDONJSA-N 1 0 317.838 2.406 10 0 DEAERO [NH3+]C[C@@]1(C(=O)NCc2cccc(Cl)c2Cl)CCCOC1 ZINC000637907566 406472392 /nfs/dbraw/zinc/47/23/92/406472392.db2.gz QOBZBQOUVAQPLY-AWEZNQCLSA-N 1 0 317.216 2.365 10 0 DEAERO CC[C@@H]1CCCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000637935772 406484546 /nfs/dbraw/zinc/48/45/46/406484546.db2.gz UVNRTTDTKVLZRU-WBVHZDCISA-N 1 0 303.450 2.094 10 0 DEAERO CCC1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000637941273 406488045 /nfs/dbraw/zinc/48/80/45/406488045.db2.gz MKRUKGLFHSABBT-KRWDZBQOSA-N 1 0 303.450 2.094 10 0 DEAERO CN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637888921 406463775 /nfs/dbraw/zinc/46/37/75/406463775.db2.gz LLHBMVINJNCXDN-CYBMUJFWSA-N 1 0 302.827 2.115 10 0 DEAERO Cc1ccccc1CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000637887862 406463825 /nfs/dbraw/zinc/46/38/25/406463825.db2.gz ZRAUMCHFIDWHHX-GOSISDBHSA-N 1 0 311.429 2.071 10 0 DEAERO CC[NH+]1CCC(CNC(=O)NC2(CCO)CCCCC2)CC1 ZINC000571421044 406520822 /nfs/dbraw/zinc/52/08/22/406520822.db2.gz GUOLDSARLRZPBS-UHFFFAOYSA-N 1 0 311.470 2.103 10 0 DEAERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCOCC1CCC1 ZINC000572088677 406602839 /nfs/dbraw/zinc/60/28/39/406602839.db2.gz SUOVGCPSQZANOX-INIZCTEOSA-N 1 0 311.470 2.319 10 0 DEAERO CC(=O)N(Cc1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cc1)C1CC1 ZINC000572148542 406612295 /nfs/dbraw/zinc/61/22/95/406612295.db2.gz IOLNJTRLCJRRQT-SFHVURJKSA-N 1 0 315.417 2.278 10 0 DEAERO c1cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)n(CC2CCC2)n1 ZINC000638140232 406591056 /nfs/dbraw/zinc/59/10/56/406591056.db2.gz LDZCQLFYNAYGEE-SFHVURJKSA-N 1 0 319.449 2.453 10 0 DEAERO CS[C@H]1CN(C(=O)CCOCC(C)C)C[C@H]1[NH+]1CCCC1 ZINC000361632693 286719533 /nfs/dbraw/zinc/71/95/33/286719533.db2.gz UJVIGRPSEGOOAG-CABCVRRESA-N 1 0 314.495 2.087 10 0 DEAERO Cc1cc(CC[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)on1 ZINC000552098547 406683112 /nfs/dbraw/zinc/68/31/12/406683112.db2.gz HAAWKGTYPWIJFD-LLVKDONJSA-N 1 0 301.346 2.207 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOCC2CCC2)C[C@@H]1C ZINC000572572207 406693660 /nfs/dbraw/zinc/69/36/60/406693660.db2.gz SGSHXLFGCZQZDK-GOEBONIOSA-N 1 0 311.470 2.317 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1ncsc1Br ZINC000553096464 406735365 /nfs/dbraw/zinc/73/53/65/406735365.db2.gz PCIAZGBOQCDWPE-QMMMGPOBSA-N 1 0 320.256 2.366 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H]2CCCOC2)c1Br ZINC000638398848 406747407 /nfs/dbraw/zinc/74/74/07/406747407.db2.gz FRGNTPGKICXVPQ-QMMMGPOBSA-N 1 0 321.240 2.430 10 0 DEAERO COc1nsc(C[NH2+][C@@H](CO)CC(C)C)c1Br ZINC000638413216 406756850 /nfs/dbraw/zinc/75/68/50/406756850.db2.gz YGLHSDVTFCILNM-MRVPVSSYSA-N 1 0 323.256 2.411 10 0 DEAERO c1cnn(C2CC([NH2+]Cc3ccc(Cn4cncn4)cc3)C2)c1 ZINC000638340392 406710299 /nfs/dbraw/zinc/71/02/99/406710299.db2.gz RNOHAPXSIYYFJK-UHFFFAOYSA-N 1 0 308.389 2.016 10 0 DEAERO Cn1nncc1CNCc1ccc(Br)c(F)c1F ZINC000527709307 406724467 /nfs/dbraw/zinc/72/44/67/406724467.db2.gz LKXALVDNGYNZTJ-UHFFFAOYSA-N 1 0 317.137 2.146 10 0 DEAERO COCCC1(C(=O)NCc2ccc(Cl)s2)CC[NH2+]CC1 ZINC000643642602 407020914 /nfs/dbraw/zinc/02/09/14/407020914.db2.gz PCYWJPSEZKOKNJ-UHFFFAOYSA-N 1 0 316.854 2.424 10 0 DEAERO CC[C@@H]1CN(C(=O)/C=C/c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000174618497 287121979 /nfs/dbraw/zinc/12/19/79/287121979.db2.gz YCOVIZCDNQCPBW-FKLRVFMWSA-N 1 0 302.418 2.003 10 0 DEAERO C[NH2+][C@H]1CCN(C(=O)c2cc(Br)cn2C2CC2)C1 ZINC000128948947 196006291 /nfs/dbraw/zinc/00/62/91/196006291.db2.gz OIIUXXRNGWRHPE-JTQLQIEISA-N 1 0 312.211 2.019 10 0 DEAERO COc1ccc2[nH]c(Sc3ncc(CC[NH3+])cn3)nc2c1 ZINC000128980439 196008825 /nfs/dbraw/zinc/00/88/25/196008825.db2.gz LYYINSZATWIMHO-UHFFFAOYSA-N 1 0 301.375 2.014 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000129038009 196014017 /nfs/dbraw/zinc/01/40/17/196014017.db2.gz QOVRGNIXVBGAKW-MGPQQGTHSA-N 1 0 307.463 2.223 10 0 DEAERO C[NH2+][C@@H]1CCN(C[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000129054805 196015589 /nfs/dbraw/zinc/01/55/89/196015589.db2.gz XXDPATLEDNHQHI-OLZOCXBDSA-N 1 0 311.223 2.046 10 0 DEAERO COc1ccc(/C=C/C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1 ZINC000129177183 196026403 /nfs/dbraw/zinc/02/64/03/196026403.db2.gz SLVSCESNOUZYPT-LYEGFCJJSA-N 1 0 316.401 2.116 10 0 DEAERO CC[NH2+][C@H](c1cnn(CC)c1)c1cccc(S(C)(=O)=O)c1 ZINC000129360807 196041915 /nfs/dbraw/zinc/04/19/15/196041915.db2.gz ZBTUCQZULLZMMK-HNNXBMFYSA-N 1 0 307.419 2.005 10 0 DEAERO CC(C)(C)[NH2+]C[C@H]1CC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129395001 196044671 /nfs/dbraw/zinc/04/46/71/196044671.db2.gz OUCAMZWYHRQLAT-SOUVJXGZSA-N 1 0 316.511 2.462 10 0 DEAERO CCC[NH2+]C[C@@H](O)COc1ccc(OC)cc1Br ZINC000129532514 196055222 /nfs/dbraw/zinc/05/52/22/196055222.db2.gz VQVSMLRDEHGAFI-SNVBAGLBSA-N 1 0 318.211 2.197 10 0 DEAERO CCC[NH2+]C[C@H]1CCC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129615245 196062226 /nfs/dbraw/zinc/06/22/26/196062226.db2.gz WNKRBWRCIAJDDI-ARFHVFGLSA-N 1 0 316.511 2.464 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[C@@H]2CCC[C@@H]2C[NH2+]C2CC2)C1 ZINC000129734931 196071790 /nfs/dbraw/zinc/07/17/90/196071790.db2.gz CLEIVRXFUPNEJA-QLFBSQMISA-N 1 0 314.495 2.216 10 0 DEAERO CN([C@H]1CCS(=O)(=O)C1)C1(C[NH3+])CC(C)(C)CC(C)(C)C1 ZINC000129756240 196072944 /nfs/dbraw/zinc/07/29/44/196072944.db2.gz RJESFJLHPOCSJW-ZDUSSCGKSA-N 1 0 316.511 2.039 10 0 DEAERO C[C@@H]([NH3+])c1cc(Br)ccc1Sc1nnnn1C ZINC000129817388 196078613 /nfs/dbraw/zinc/07/86/13/196078613.db2.gz DOSOAOSWIBDZOK-ZCFIWIBFSA-N 1 0 314.212 2.144 10 0 DEAERO CC[NH+]1CCN([C@@H]2CCN(Cc3cnc(Cl)s3)C2)CC1 ZINC000130564306 196091291 /nfs/dbraw/zinc/09/12/91/196091291.db2.gz BMDJFAGFIAMGMD-GFCCVEGCSA-N 1 0 314.886 2.008 10 0 DEAERO COc1ccccc1[C@H](O)C[NH2+][C@H]1CCCc2c1cnn2C ZINC000130602832 196094393 /nfs/dbraw/zinc/09/43/93/196094393.db2.gz YZYREVJJBJGWAO-GOEBONIOSA-N 1 0 301.390 2.129 10 0 DEAERO C[C@@H]1CCCC[C@]1(C[NH3+])NC(=O)c1cc(Br)c[nH]1 ZINC000130627323 196097204 /nfs/dbraw/zinc/09/72/04/196097204.db2.gz LVYHUXQOSUGVSW-NOZJJQNGSA-N 1 0 314.227 2.415 10 0 DEAERO C[NH2+]C[C@@H]1COCCN1Cc1ccc(F)cc1Br ZINC000130750618 196106113 /nfs/dbraw/zinc/10/61/13/196106113.db2.gz VDAKFSAVBLNSEQ-GFCCVEGCSA-N 1 0 317.202 2.008 10 0 DEAERO CS(=O)(=O)Nc1ccc(Cl)c(NC[C@@H]2CCC[NH2+]C2)c1 ZINC000130926403 196124009 /nfs/dbraw/zinc/12/40/09/196124009.db2.gz VOGXHPYNZFQCEG-SNVBAGLBSA-N 1 0 317.842 2.123 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c(C)s1 ZINC000130985780 196130257 /nfs/dbraw/zinc/13/02/57/196130257.db2.gz QDZMEUZHCWMLHP-CYBMUJFWSA-N 1 0 304.481 2.407 10 0 DEAERO COCC[NH2+][C@@](C)(CO)c1ccc(Br)cc1F ZINC000131056539 196136030 /nfs/dbraw/zinc/13/60/30/196136030.db2.gz GLGBARZDUNMCGV-LBPRGKRZSA-N 1 0 306.175 2.032 10 0 DEAERO CCc1nsc(S[C@@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O)n1 ZINC000131067029 196136707 /nfs/dbraw/zinc/13/67/07/196136707.db2.gz HCNDGGCNIQKAPQ-ZANVPECISA-N 1 0 316.496 2.213 10 0 DEAERO CCC[NH2+][C@](CSc1ncns1)(C(N)=O)c1ccccc1 ZINC000131117459 196141581 /nfs/dbraw/zinc/14/15/81/196141581.db2.gz JWBOLZKZQFBMLS-AWEZNQCLSA-N 1 0 322.459 2.011 10 0 DEAERO CNc1ncc(Br)c(N[C@@H](C)CC[NH+](C)C)n1 ZINC000131210403 196150716 /nfs/dbraw/zinc/15/07/16/196150716.db2.gz YINZVUVEWSOPDK-QMMMGPOBSA-N 1 0 302.220 2.033 10 0 DEAERO CSCC[C@@H]([NH3+])C(=O)Nc1cc(C)c(Br)cn1 ZINC000131280117 196156516 /nfs/dbraw/zinc/15/65/16/196156516.db2.gz JBRDIJRZKULVPF-SECBINFHSA-N 1 0 318.240 2.171 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nc(C)ns1)OCCO2 ZINC000131301433 196158464 /nfs/dbraw/zinc/15/84/64/196158464.db2.gz YYUUIXAXSIEWSZ-MNOVXSKESA-N 1 0 315.464 2.212 10 0 DEAERO Cc1nn(C)c(C[C@@H]([NH3+])c2ncccc2F)c1Br ZINC000131316091 196160203 /nfs/dbraw/zinc/16/02/03/196160203.db2.gz RCYIBPQWLQLPGV-SECBINFHSA-N 1 0 313.174 2.268 10 0 DEAERO [NH3+][C@H](CSc1ncns1)c1ccc2c(c1)OCCCO2 ZINC000131325462 196160489 /nfs/dbraw/zinc/16/04/89/196160489.db2.gz XEDCJZPTVAUZDH-SNVBAGLBSA-N 1 0 309.416 2.492 10 0 DEAERO COCCN(CCOC)[C@@H](C[NH3+])c1ccc(C(F)F)cc1 ZINC000131422930 196166741 /nfs/dbraw/zinc/16/67/41/196166741.db2.gz GCIRYFWUIICLGM-AWEZNQCLSA-N 1 0 302.365 2.219 10 0 DEAERO CC[NH2+][C@@H](Cc1cccc(F)c1F)[C@H]1CCCCS1(=O)=O ZINC000131484392 196173257 /nfs/dbraw/zinc/17/32/57/196173257.db2.gz MNTJOEKLTMRWJB-UONOGXRCSA-N 1 0 317.401 2.453 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)/C=C(/C)c2ccccc2)CC1 ZINC000131645952 196186887 /nfs/dbraw/zinc/18/68/87/196186887.db2.gz FTOPBZGCRGGDBW-AKMXKPQHSA-N 1 0 302.418 2.005 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)o1 ZINC000131660005 196189180 /nfs/dbraw/zinc/18/91/80/196189180.db2.gz CTQGCIFDIBYNTL-STQMWFEESA-N 1 0 314.451 2.444 10 0 DEAERO CNc1ncc(Br)c(NCC(C)(C)[NH+](C)C)n1 ZINC000131863100 196205654 /nfs/dbraw/zinc/20/56/54/196205654.db2.gz QBFBGAMKHXZIKC-UHFFFAOYSA-N 1 0 302.220 2.033 10 0 DEAERO Cc1cc(Br)c(N2C[C@@H]([NH3+])CC2=O)cc1Cl ZINC000131925775 196211122 /nfs/dbraw/zinc/21/11/22/196211122.db2.gz NEWYMTIZQLQBMO-ZETCQYMHSA-N 1 0 303.587 2.475 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC3(C2)CCCCC3)C1 ZINC000131949713 196212714 /nfs/dbraw/zinc/21/27/14/196212714.db2.gz ZFUDLXRWPVNEKP-OAHLLOKOSA-N 1 0 314.495 2.314 10 0 DEAERO C[C@@H](O)C[NH2+]CCNC(=O)Nc1cc(Cl)ccc1Cl ZINC000132186241 196233368 /nfs/dbraw/zinc/23/33/68/196233368.db2.gz IERTUMXTQHDFBJ-MRVPVSSYSA-N 1 0 306.193 2.085 10 0 DEAERO CCCC[C@@H](O)c1c(Br)cnn1CC[NH+](C)C ZINC000132190979 196234131 /nfs/dbraw/zinc/23/41/31/196234131.db2.gz ONEORZPANQHHBK-LLVKDONJSA-N 1 0 304.232 2.431 10 0 DEAERO C[C@@H]1CC[C@](O)(c2c(Br)cnn2CC[NH+](C)C)C1 ZINC000132360090 196248723 /nfs/dbraw/zinc/24/87/23/196248723.db2.gz ZKBOTSOLAFIEMT-ZWNOBZJWSA-N 1 0 316.243 2.215 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(OCCS(C)(=O)=O)c(Cl)c1 ZINC000132479785 196258285 /nfs/dbraw/zinc/25/82/85/196258285.db2.gz YWSSNOSOTDVWKE-JTQLQIEISA-N 1 0 305.827 2.434 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](COCc2cccc(Br)c2)O1 ZINC000132728797 196278840 /nfs/dbraw/zinc/27/88/40/196278840.db2.gz IWOXMRKXQNWLGK-GXFFZTMASA-N 1 0 300.196 2.343 10 0 DEAERO C[C@@H]([NH2+]CCn1c(=O)cccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000132826911 196288377 /nfs/dbraw/zinc/28/83/77/196288377.db2.gz WDGGJKOBRVVWGR-MNOVXSKESA-N 1 0 304.312 2.024 10 0 DEAERO COc1ccncc1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000132847178 196290116 /nfs/dbraw/zinc/29/01/16/196290116.db2.gz FPEIWMKQNNKFAD-UHFFFAOYSA-N 1 0 315.373 2.283 10 0 DEAERO C[C@H](CCO)[NH2+]C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000133000478 196304007 /nfs/dbraw/zinc/30/40/07/196304007.db2.gz PZGQPLDEDZORMK-SKDRFNHKSA-N 1 0 300.196 2.113 10 0 DEAERO C[C@H]([NH3+])CCCC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000133102925 196311547 /nfs/dbraw/zinc/31/15/47/196311547.db2.gz XQSWKHSVVCJJDW-JTQLQIEISA-N 1 0 311.813 2.498 10 0 DEAERO CCOCc1nc(N[C@@H](C)c2ncc(C)s2)cc(NN)[nH+]1 ZINC000133161645 196316979 /nfs/dbraw/zinc/31/69/79/196316979.db2.gz IFFQABALOFGNSC-VIFPVBQESA-N 1 0 308.411 2.237 10 0 DEAERO COC(=O)c1cc(NC(=O)CCC[C@H](C)[NH3+])c(F)cc1F ZINC000133291889 196327540 /nfs/dbraw/zinc/32/75/40/196327540.db2.gz FFLLJMPNWMLOFU-QMMMGPOBSA-N 1 0 300.305 2.207 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(Br)c1O ZINC000133811775 196337080 /nfs/dbraw/zinc/33/70/80/196337080.db2.gz VLXMDUPAWNTSTG-MRVPVSSYSA-N 1 0 301.184 2.339 10 0 DEAERO COc1ccccc1C1CC([NH2+]C[C@@H]2CCCS2(=O)=O)C1 ZINC000133872263 196342070 /nfs/dbraw/zinc/34/20/70/196342070.db2.gz CGGZMQLONRBCKK-RUXDESIVSA-N 1 0 309.431 2.108 10 0 DEAERO CCOC(=O)Cc1csc(N2CC[NH+](C(C)(C)C)CC2)n1 ZINC000133923333 196346501 /nfs/dbraw/zinc/34/65/01/196346501.db2.gz WYYWHOBXYAGFPH-UHFFFAOYSA-N 1 0 311.451 2.169 10 0 DEAERO C[C@@H]1CCCC[C@@]1(C[NH3+])NC(=O)c1snnc1C(C)(C)C ZINC000133950864 196348298 /nfs/dbraw/zinc/34/82/98/196348298.db2.gz MTIFYFVGSKTLTB-BMIGLBTASA-N 1 0 310.467 2.473 10 0 DEAERO C[NH2+][C@H]1CCCN(C(=O)c2cnc3onc(C(C)C)c3c2)C1 ZINC000134125679 196363079 /nfs/dbraw/zinc/36/30/79/196363079.db2.gz XDEBEABRYXECBM-LBPRGKRZSA-N 1 0 302.378 2.170 10 0 DEAERO CC[N@@H+]1CCC[C@H](Nc2c(Cl)cnn(CC3CC3)c2=O)C1 ZINC000134132735 196364634 /nfs/dbraw/zinc/36/46/34/196364634.db2.gz NGGLHAQOHUOMJA-LBPRGKRZSA-N 1 0 310.829 2.203 10 0 DEAERO COCC(C)(C)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000134309492 196378811 /nfs/dbraw/zinc/37/88/11/196378811.db2.gz WHWCOEISFFYMBS-UHFFFAOYSA-N 1 0 315.211 2.402 10 0 DEAERO CC[C@@H](CCO)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000134382653 196384613 /nfs/dbraw/zinc/38/46/13/196384613.db2.gz HAZWMKQOVAAAJC-QWHCGFSZSA-N 1 0 301.228 2.200 10 0 DEAERO CC[NH2+][C@@H]1CSC[C@@H]1Cc1c(Br)c(C)nn1C ZINC000134600034 196405798 /nfs/dbraw/zinc/40/57/98/196405798.db2.gz DJIHKANXHZSEMB-VHSXEESVSA-N 1 0 318.284 2.375 10 0 DEAERO C[NH+](C)CCc1noc(-c2cccc(Br)c2N)n1 ZINC000134762184 196418272 /nfs/dbraw/zinc/41/82/72/196418272.db2.gz ZULHPYXWMMFIBC-UHFFFAOYSA-N 1 0 311.183 2.185 10 0 DEAERO CCC[NH2+][C@H]1CSC[C@H]1c1nc(-c2ncc(C)cn2)no1 ZINC000134847097 196423889 /nfs/dbraw/zinc/42/38/89/196423889.db2.gz ORPROWBXQWUHRM-MNOVXSKESA-N 1 0 305.407 2.034 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2sc3cnccc3c2N)C1 ZINC000135950209 196510915 /nfs/dbraw/zinc/51/09/15/196510915.db2.gz NBNLWIVNEZPGEB-SNVBAGLBSA-N 1 0 304.419 2.045 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2[C@@H](C)CC[C@@H]2CC)nc1 ZINC000136753348 196551508 /nfs/dbraw/zinc/55/15/08/196551508.db2.gz WBQPXBGYWXRUCP-JSGCOSHPSA-N 1 0 311.451 2.143 10 0 DEAERO COC[C@@H](Cc1ccccc1)[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000150926575 196604742 /nfs/dbraw/zinc/60/47/42/196604742.db2.gz CMOCSTWSECZIMP-GOSISDBHSA-N 1 0 318.461 2.481 10 0 DEAERO Cc1ccccc1CCNC(=O)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000188030985 225006579 /nfs/dbraw/zinc/00/65/79/225006579.db2.gz AQSAPHNTAXXWJR-HNAYVOBHSA-N 1 0 318.461 2.137 10 0 DEAERO COc1ccc(O)cc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000188076479 225008030 /nfs/dbraw/zinc/00/80/30/225008030.db2.gz AMQGDJULTSUDIX-UHFFFAOYSA-N 1 0 301.346 2.110 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000193846424 225168983 /nfs/dbraw/zinc/16/89/83/225168983.db2.gz BWJYEEZXDASKLC-KFWWJZLASA-N 1 0 306.406 2.205 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c(C(C)=O)c1 ZINC000194041741 225173654 /nfs/dbraw/zinc/17/36/54/225173654.db2.gz MKNZUYYJNVIVHZ-MRXNPFEDSA-N 1 0 318.417 2.038 10 0 DEAERO Cn1cc(CCC[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)cn1 ZINC000299740426 229373672 /nfs/dbraw/zinc/37/36/72/229373672.db2.gz ZRHLKGSRXNEKRU-INIZCTEOSA-N 1 0 313.449 2.375 10 0 DEAERO Cn1cc([C@H](CNc2ncnc3sccc32)[NH+](C)C)cn1 ZINC000301294764 229611155 /nfs/dbraw/zinc/61/11/55/229611155.db2.gz RBNLCZAFVBKSAJ-LBPRGKRZSA-N 1 0 302.407 2.140 10 0 DEAERO Cc1nnc(CN2CCN(c3cc[nH+]c4c(C)cccc34)CC2)[nH]1 ZINC000302139931 230117065 /nfs/dbraw/zinc/11/70/65/230117065.db2.gz JBYOPIQROZMXMB-UHFFFAOYSA-N 1 0 322.416 2.292 10 0 DEAERO O=S(=O)(c1ccc(Cl)s1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000520230411 424826650 /nfs/dbraw/zinc/82/66/50/424826650.db2.gz NTDGTIZQOIPMOJ-GFCCVEGCSA-N 1 0 320.867 2.166 10 0 DEAERO CCNS(=O)(=O)c1ccccc1NCCC[NH+](CC)CC ZINC000035353598 424807761 /nfs/dbraw/zinc/80/77/61/424807761.db2.gz CDERVTRIUVCIKA-UHFFFAOYSA-N 1 0 313.467 2.129 10 0 DEAERO CC(C)([NH3+])c1cn(Cc2ccc(F)cc2Br)nn1 ZINC000070118082 424842182 /nfs/dbraw/zinc/84/21/82/424842182.db2.gz TYEJZOBUBQPVIP-UHFFFAOYSA-N 1 0 313.174 2.422 10 0 DEAERO Fc1ccc(OCC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000105882791 424849654 /nfs/dbraw/zinc/84/96/54/424849654.db2.gz IPIHLHPCUJHKJH-CQSZACIVSA-N 1 0 304.369 2.208 10 0 DEAERO O=C(NCCc1cccnc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193156894 424867016 /nfs/dbraw/zinc/86/70/16/424867016.db2.gz DYSCKKYZENTYRU-UHFFFAOYSA-N 1 0 316.449 2.142 10 0 DEAERO O=C(NCCC[NH+]1CCCC1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000193155739 424867562 /nfs/dbraw/zinc/86/75/62/424867562.db2.gz ZMPGOZIGAPNEDB-UHFFFAOYSA-N 1 0 316.380 2.432 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000194628131 424877687 /nfs/dbraw/zinc/87/76/87/424877687.db2.gz HJUCUPYKHPQMEU-INIZCTEOSA-N 1 0 315.417 2.249 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)c2ccc(OC(F)(F)F)cc2)C[NH2+]1 ZINC000131154110 424858645 /nfs/dbraw/zinc/85/86/45/424858645.db2.gz XSJXWXLQVTYNIX-MWLCHTKSSA-N 1 0 302.296 2.456 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000153799600 424860596 /nfs/dbraw/zinc/86/05/96/424860596.db2.gz GFGIYTWJWIXMRO-INIZCTEOSA-N 1 0 320.481 2.251 10 0 DEAERO CC(C)n1ncnc1CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389839272 424916022 /nfs/dbraw/zinc/91/60/22/424916022.db2.gz MMHDDRCEOKFLAR-DOTOQJQBSA-N 1 0 313.449 2.469 10 0 DEAERO CCCC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404139320 424925016 /nfs/dbraw/zinc/92/50/16/424925016.db2.gz GMJGGIWWEMKKGY-IRXDYDNUSA-N 1 0 302.418 2.288 10 0 DEAERO CC[C@H]1COC(C)(C)C[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000403898836 424925290 /nfs/dbraw/zinc/92/52/90/424925290.db2.gz YZDUCJXPXAINAW-IRXDYDNUSA-N 1 0 307.434 2.454 10 0 DEAERO O[C@]1(CC[NH2+]Cc2cc(Br)ccc2F)CCOC1 ZINC000404223139 424925806 /nfs/dbraw/zinc/92/58/06/424925806.db2.gz ZSUVOKSUBXDSKU-CYBMUJFWSA-N 1 0 318.186 2.219 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1nscc1Br ZINC000404791295 424929375 /nfs/dbraw/zinc/92/93/75/424929375.db2.gz RIMQDHMYQGLZFG-IONNQARKSA-N 1 0 318.240 2.248 10 0 DEAERO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249573266 424887624 /nfs/dbraw/zinc/88/76/24/424887624.db2.gz OTZWXAGASLCMRX-BEFAXECRSA-N 1 0 318.461 2.436 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)Nc2nnc(C3CC3)s2)CC1 ZINC000575229068 424946221 /nfs/dbraw/zinc/94/62/21/424946221.db2.gz ZBXJJMYJURZFQX-UHFFFAOYSA-N 1 0 323.466 2.659 10 0 DEAERO COc1ncc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)s1 ZINC000313199059 424895223 /nfs/dbraw/zinc/89/52/23/424895223.db2.gz YHJROMLLAHKJSP-VIFPVBQESA-N 1 0 309.357 2.126 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2cccs2)[C@H](C)C1 ZINC000081095396 267378754 /nfs/dbraw/zinc/37/87/54/267378754.db2.gz MHDBTSVVIMYPMO-HIFRSBDPSA-N 1 0 309.479 2.026 10 0 DEAERO COc1cc(C)c(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1OC ZINC000087220535 267393853 /nfs/dbraw/zinc/39/38/53/267393853.db2.gz FWXDTAOIGDOIEB-UHFFFAOYSA-N 1 0 318.417 2.323 10 0 DEAERO O=C(NCc1ccc(Cl)cc1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653055471 425391183 /nfs/dbraw/zinc/39/11/83/425391183.db2.gz FJVFPPMYWKZFDD-GHMZBOCLSA-N 1 0 306.715 2.354 10 0 DEAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2ccnn2C)nn1C ZINC000658268564 425463910 /nfs/dbraw/zinc/46/39/10/425463910.db2.gz JHQANKOCLOFIPB-JKIFEVAISA-N 1 0 317.437 2.281 10 0 DEAERO O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000333260131 268914428 /nfs/dbraw/zinc/91/44/28/268914428.db2.gz ITBPMQGMCPZNLD-UHFFFAOYSA-N 1 0 311.389 2.437 10 0 DEAERO CCO[C@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)C12CCCC2 ZINC000333316095 268925073 /nfs/dbraw/zinc/92/50/73/268925073.db2.gz SUZBKZGXKGLUMC-GJZGRUSLSA-N 1 0 321.465 2.262 10 0 DEAERO O=C(N[C@@H]1CCOc2ccccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000333414179 268942421 /nfs/dbraw/zinc/94/24/21/268942421.db2.gz RRYYLIQHLTYRNN-OAHLLOKOSA-N 1 0 315.417 2.295 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCOC2(C1)CCCCCC2 ZINC000333658585 268972171 /nfs/dbraw/zinc/97/21/71/268972171.db2.gz LDYKWQHWQAYISR-HUUCEWRRSA-N 1 0 309.454 2.119 10 0 DEAERO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333798556 268992906 /nfs/dbraw/zinc/99/29/06/268992906.db2.gz HJOVMONUHMCCHK-KBPBESRZSA-N 1 0 305.426 2.015 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC(c2ccc(O)cc2)CC1 ZINC000333856367 268997274 /nfs/dbraw/zinc/99/72/74/268997274.db2.gz RACKDNREKRWTLH-INIZCTEOSA-N 1 0 317.433 2.423 10 0 DEAERO C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)c1csnn1 ZINC000334132161 269023413 /nfs/dbraw/zinc/02/34/13/269023413.db2.gz VFQPMHIRPRUDQN-GFCCVEGCSA-N 1 0 323.466 2.259 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000363718804 269073911 /nfs/dbraw/zinc/07/39/11/269073911.db2.gz NSOAAYXZBHRIRZ-DLBZAZTESA-N 1 0 316.449 2.140 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000495868455 269181268 /nfs/dbraw/zinc/18/12/68/269181268.db2.gz WPFIPBJGOHFPBL-SOUVJXGZSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@H]([NH2+]CCC1CC(O)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497228629 269295202 /nfs/dbraw/zinc/29/52/02/269295202.db2.gz ANZURFVDMSGBQW-LQULJDIASA-N 1 0 312.454 2.383 10 0 DEAERO CS[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000175034854 274179036 /nfs/dbraw/zinc/17/90/36/274179036.db2.gz BCOJUQCAVQUJSD-QLFBSQMISA-N 1 0 309.479 2.316 10 0 DEAERO C[C@@H](O)C[NH+]1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000302523907 274271414 /nfs/dbraw/zinc/27/14/14/274271414.db2.gz JNTXMCRXJZHXRW-LLVKDONJSA-N 1 0 307.344 2.016 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2COc3ccccc32)CC[N@@H+]1C ZINC000246199237 274386432 /nfs/dbraw/zinc/38/64/32/274386432.db2.gz MXIHQTMFAKKIKS-IPYPFGDCSA-N 1 0 303.406 2.244 10 0 DEAERO Cc1c(Cl)cc(S(=O)(=O)NCC[C@H](C)[NH3+])cc1Cl ZINC000183137846 274661708 /nfs/dbraw/zinc/66/17/08/274661708.db2.gz ASLYIIHUWCGPTK-ZETCQYMHSA-N 1 0 311.234 2.317 10 0 DEAERO Cc1ccc([C@@H]2CSCCN2C(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261981201 274758956 /nfs/dbraw/zinc/75/89/56/274758956.db2.gz MEKBTDYJNJIIQE-PMPSAXMXSA-N 1 0 320.458 2.118 10 0 DEAERO Cc1nccn1-c1cncc(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000329104176 274859840 /nfs/dbraw/zinc/85/98/40/274859840.db2.gz CMZKAQQMBOANHY-HNNXBMFYSA-N 1 0 312.421 2.035 10 0 DEAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000104358114 275023261 /nfs/dbraw/zinc/02/32/61/275023261.db2.gz SIUJPPZUZAVBMX-ZIAGYGMSSA-N 1 0 323.234 2.175 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000194111120 276117166 /nfs/dbraw/zinc/11/71/66/276117166.db2.gz MDEWWGIPUCNNBQ-GFCCVEGCSA-N 1 0 318.421 2.057 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000182440938 276166331 /nfs/dbraw/zinc/16/63/31/276166331.db2.gz OCAOAXQXMCVXPW-HUUCEWRRSA-N 1 0 305.426 2.131 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnc2c(c1)c(C)nn2C ZINC000175351591 276183112 /nfs/dbraw/zinc/18/31/12/276183112.db2.gz WEMJHZIMIVJIFU-HNNXBMFYSA-N 1 0 301.438 2.193 10 0 DEAERO CC[NH+](CC)C[C@@H]1CCN(Cc2nnc(C3CCC3)n2C)C1 ZINC000181402249 276332229 /nfs/dbraw/zinc/33/22/29/276332229.db2.gz OTLIKTWGGCJUBM-AWEZNQCLSA-N 1 0 305.470 2.246 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000245465973 276377738 /nfs/dbraw/zinc/37/77/38/276377738.db2.gz IZWRLFMJUKMWCV-IRXDYDNUSA-N 1 0 301.434 2.208 10 0 DEAERO CN1CCO[C@@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000246527393 276934079 /nfs/dbraw/zinc/93/40/79/276934079.db2.gz VBIXOPLPPBTYAT-WMZOPIPTSA-N 1 0 316.445 2.309 10 0 DEAERO CC(=O)NC1CCC([NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000253232396 277025404 /nfs/dbraw/zinc/02/54/04/277025404.db2.gz FDNLJVCHRHNQOQ-BTRQGYIVSA-N 1 0 315.461 2.469 10 0 DEAERO C[NH2+][C@@H](C)CNC(=O)CCSc1ccc2c(c1)OCCCO2 ZINC000261769941 277038267 /nfs/dbraw/zinc/03/82/67/277038267.db2.gz PCUYCYIUFUXDLV-LBPRGKRZSA-N 1 0 324.446 2.054 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c1C ZINC000188731431 277085636 /nfs/dbraw/zinc/08/56/36/277085636.db2.gz WFTNHEMZYOKIMQ-TXEJJXNPSA-N 1 0 303.406 2.118 10 0 DEAERO C[N@@H+]1CC[C@@H]2OCCN(c3ncnc4c5ccccc5oc43)[C@H]2C1 ZINC000284426374 277154651 /nfs/dbraw/zinc/15/46/51/277154651.db2.gz AEXRXYFGGRFKCH-ZFWWWQNUSA-N 1 0 324.384 2.285 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NCC2(O)CCCC2)[C@@H]1c1ccccc1 ZINC000179462097 277166618 /nfs/dbraw/zinc/16/66/18/277166618.db2.gz TUYHXSNEQHKTGF-HOTGVXAUSA-N 1 0 317.433 2.036 10 0 DEAERO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000375009663 277379594 /nfs/dbraw/zinc/37/95/94/277379594.db2.gz YXWAMEURABSOMC-OAHLLOKOSA-N 1 0 321.469 2.027 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000188462862 277486031 /nfs/dbraw/zinc/48/60/31/277486031.db2.gz YQVKFCLWJBMNKI-OAHLLOKOSA-N 1 0 313.486 2.298 10 0 DEAERO COc1cc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)ccc1F ZINC000153528972 277839286 /nfs/dbraw/zinc/83/92/86/277839286.db2.gz HGORAFGGDJLJBG-GWCFXTLKSA-N 1 0 304.369 2.400 10 0 DEAERO CSc1nc2ncnc(N3CCC[N@@H+](C4CC4)CC3)c2s1 ZINC000171831388 278180043 /nfs/dbraw/zinc/18/00/43/278180043.db2.gz DYIKWEIEQWJKKG-UHFFFAOYSA-N 1 0 321.475 2.483 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412059682 278233100 /nfs/dbraw/zinc/23/31/00/278233100.db2.gz CWHAVBUSRAWIFF-YOEHRIQHSA-N 1 0 313.438 2.160 10 0 DEAERO CC1(C)CN([C@H]2CCN(c3c(F)cccc3F)C2=O)CC[C@H]1[NH3+] ZINC000261756134 278341305 /nfs/dbraw/zinc/34/13/05/278341305.db2.gz LLURFTJXJONJSV-UONOGXRCSA-N 1 0 323.387 2.129 10 0 DEAERO CC(C)C[C@H](C)S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246844952 279118285 /nfs/dbraw/zinc/11/82/85/279118285.db2.gz CIIKSKWOEMYWTR-KKUMJFAQSA-N 1 0 302.484 2.167 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000246448320 279124957 /nfs/dbraw/zinc/12/49/57/279124957.db2.gz VFZVPXQOTQNPGA-HZSPNIEDSA-N 1 0 301.500 2.498 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCSC[C@H](C)C1 ZINC000192344255 279124980 /nfs/dbraw/zinc/12/49/80/279124980.db2.gz KOROKSJVFNFTLV-ZIAGYGMSSA-N 1 0 301.500 2.357 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000246880369 279127644 /nfs/dbraw/zinc/12/76/44/279127644.db2.gz MQVCRHQYLWPNSZ-BFYDXBDKSA-N 1 0 313.486 2.203 10 0 DEAERO CC[NH+](CC)[C@@H](C(=O)N1CCN(C2CC2)CC1)c1ccccc1 ZINC000104870607 279140510 /nfs/dbraw/zinc/14/05/10/279140510.db2.gz VUWATOGMTBYQTJ-GOSISDBHSA-N 1 0 315.461 2.376 10 0 DEAERO Cc1noc2nc(C)cc(C(=O)N(C[C@H]3CCC[NH2+]3)C3CC3)c12 ZINC000186554632 279259045 /nfs/dbraw/zinc/25/90/45/279259045.db2.gz GOFAGJRSOQZPET-GFCCVEGCSA-N 1 0 314.389 2.196 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000245477356 279302317 /nfs/dbraw/zinc/30/23/17/279302317.db2.gz UILNYGISCDVHAH-YYIAUSFCSA-N 1 0 309.498 2.296 10 0 DEAERO C[C@H]1CN(C(=O)c2ccc(Br)cc2)C[C@H]1[NH+](C)C ZINC000089710197 279816525 /nfs/dbraw/zinc/81/65/25/279816525.db2.gz PUFVLNCSZMNWKP-GXFFZTMASA-N 1 0 311.223 2.471 10 0 DEAERO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C1([NH3+])CCOCC1 ZINC000261849488 279973965 /nfs/dbraw/zinc/97/39/65/279973965.db2.gz MEYBBIOTEFMYAX-GXTWGEPZSA-N 1 0 306.381 2.038 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000127109882 280233837 /nfs/dbraw/zinc/23/38/37/280233837.db2.gz UVKMGOFADWYPJK-MNOVXSKESA-N 1 0 302.827 2.006 10 0 DEAERO CC(C)c1nnc(CN2CCC[C@H]2C[NH+]2CCCCC2)n1C ZINC000170784604 280709315 /nfs/dbraw/zinc/70/93/15/280709315.db2.gz XNICIDSIKAIYEK-HNNXBMFYSA-N 1 0 305.470 2.389 10 0 DEAERO Cc1ccc(F)cc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000043276419 281435721 /nfs/dbraw/zinc/43/57/21/281435721.db2.gz LOAJFOOBVNUSIQ-CQSZACIVSA-N 1 0 309.385 2.102 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccn(C2CCCC2)n1 ZINC000134958344 282056018 /nfs/dbraw/zinc/05/60/18/282056018.db2.gz BCUJCQVULSODDT-MRXNPFEDSA-N 1 0 304.438 2.489 10 0 DEAERO CN(C(=O)CC[N@@H+]1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000135084864 282061372 /nfs/dbraw/zinc/06/13/72/282061372.db2.gz NCJVVACLKHCGAZ-HNNXBMFYSA-N 1 0 312.417 2.263 10 0 DEAERO C[NH+](C)CC1(CNC(=O)[C@H]2CCCc3n[nH]cc32)CCCC1 ZINC000185858195 282073640 /nfs/dbraw/zinc/07/36/40/282073640.db2.gz WWEZDSMHJVZRBD-ZDUSSCGKSA-N 1 0 304.438 2.068 10 0 DEAERO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)C1CC[NH2+]CC1 ZINC000246992507 288389008 /nfs/dbraw/zinc/38/90/08/288389008.db2.gz YMLLMHRTXQQSQA-CKEIUWERSA-N 1 0 302.418 2.363 10 0 DEAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246661491 289081268 /nfs/dbraw/zinc/08/12/68/289081268.db2.gz GYDDULAJABNCQX-KEYYUXOJSA-N 1 0 302.418 2.351 10 0 DEAERO C[C@@](C[NH3+])(NS(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000130370763 289109114 /nfs/dbraw/zinc/10/91/14/289109114.db2.gz DVTXYFXYEXBKEN-LBPRGKRZSA-N 1 0 323.245 2.399 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)C1CCCCCC1 ZINC000346494489 290045457 /nfs/dbraw/zinc/04/54/57/290045457.db2.gz QGKIOGRSADMACB-ZFWWWQNUSA-N 1 0 302.484 2.359 10 0 DEAERO Cc1nc(CN(C)C2CC[NH+](CCn3cccn3)CC2)oc1C ZINC000105863564 293258715 /nfs/dbraw/zinc/25/87/15/293258715.db2.gz FYEMTIYYKCYSOZ-UHFFFAOYSA-N 1 0 317.437 2.084 10 0 DEAERO CO[C@H](C)[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248888412 294330136 /nfs/dbraw/zinc/33/01/36/294330136.db2.gz YHDMYIIVLVFHGJ-XRGAULLZSA-N 1 0 305.422 2.154 10 0 DEAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](CCO)C2CCOCC2)cc1 ZINC000359402872 295138256 /nfs/dbraw/zinc/13/82/56/295138256.db2.gz VAKWATWGZYWRPA-KDOFPFPSSA-N 1 0 307.434 2.393 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)N1CCOCC1)CCCO2 ZINC000123246542 295274996 /nfs/dbraw/zinc/27/49/96/295274996.db2.gz NQMLQVLNQYBAMZ-WMLDXEAASA-N 1 0 320.433 2.219 10 0 DEAERO COc1cccc([C@@H]2[C@H](NC(=O)NC3CC3)CC[N@@H+]2C2CC2)c1 ZINC000182127440 295320870 /nfs/dbraw/zinc/32/08/70/295320870.db2.gz SBMNIRMEMZJGEV-IAGOWNOFSA-N 1 0 315.417 2.435 10 0 DEAERO COc1ccccc1CCN(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000137035863 295359360 /nfs/dbraw/zinc/35/93/60/295359360.db2.gz IJBMQEQGTOJCLW-HNNXBMFYSA-N 1 0 302.418 2.086 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000193885111 297130242 /nfs/dbraw/zinc/13/02/42/297130242.db2.gz ACYWAIRJYCDECL-WBVHZDCISA-N 1 0 304.434 2.249 10 0 DEAERO Cn1nccc1[C@H]1[C@H]([NH2+][C@H]2CCCC(C)(C)C2)CC(=O)N1C ZINC000329016031 303097885 /nfs/dbraw/zinc/09/78/85/303097885.db2.gz KCUGNXNLGGUXGW-WOSRLPQWSA-N 1 0 304.438 2.250 10 0 DEAERO O[C@H]1[C@@H](C[NH2+]Cc2cccc3c[nH]nc32)CCC12CCOCC2 ZINC000568124042 325915573 /nfs/dbraw/zinc/91/55/73/325915573.db2.gz YDWVKJIWQQWVIE-WBVHZDCISA-N 1 0 315.417 2.220 10 0 DEAERO CC[NH+]1CCC(CNC(=O)CC2(CC(=O)OC)CCCC2)CC1 ZINC000572902988 325995936 /nfs/dbraw/zinc/99/59/36/325995936.db2.gz AWDSTIAUBVPXEQ-UHFFFAOYSA-N 1 0 324.465 2.348 10 0 DEAERO c1cncc([C@H]2C[NH2+]CCN2Cc2nnc(C3CC3)n2C2CC2)c1 ZINC000575059722 326215009 /nfs/dbraw/zinc/21/50/09/326215009.db2.gz HHPLYIWMQKNYGW-MRXNPFEDSA-N 1 0 324.432 2.032 10 0 DEAERO COC[C@H](C)C[NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000187821632 332988941 /nfs/dbraw/zinc/98/89/41/332988941.db2.gz JPESLJNNBCKLPO-CYBMUJFWSA-N 1 0 309.454 2.376 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000189978608 336257974 /nfs/dbraw/zinc/25/79/74/336257974.db2.gz KGJSUVGPPFBWEE-OLZOCXBDSA-N 1 0 322.453 2.427 10 0 DEAERO CC1CCC([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000584368911 337223981 /nfs/dbraw/zinc/22/39/81/337223981.db2.gz NNUKFYXTVAJNET-UHFFFAOYSA-N 1 0 307.482 2.099 10 0 DEAERO c1cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)nc2c1CCC2 ZINC000584396362 337317423 /nfs/dbraw/zinc/31/74/23/337317423.db2.gz ZATPXKFRUYDJNI-GOSISDBHSA-N 1 0 315.461 2.257 10 0 DEAERO c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000584411294 337321219 /nfs/dbraw/zinc/32/12/19/337321219.db2.gz VVEVYWWJCCJARS-MRXNPFEDSA-N 1 0 320.400 2.349 10 0 DEAERO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)CC2 ZINC000190973785 337399194 /nfs/dbraw/zinc/39/91/94/337399194.db2.gz CTWGYJWVQMQZNC-AWEZNQCLSA-N 1 0 322.416 2.131 10 0 DEAERO COc1cccc([C@H](CNC(=O)[C@@H]2CCOC[C@H]2C)[NH+](C)C)c1 ZINC000195335824 533778347 /nfs/dbraw/zinc/77/83/47/533778347.db2.gz AZOLPOBOCGABHL-XYPHTWIQSA-N 1 0 320.433 2.087 10 0 DEAERO COC(=O)c1ccc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)nc1OC ZINC000302531630 534231014 /nfs/dbraw/zinc/23/10/14/534231014.db2.gz CWQSUGXOSBHUKY-AAEUAGOBSA-N 1 0 307.394 2.017 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC000339534636 518412787 /nfs/dbraw/zinc/41/27/87/518412787.db2.gz KWOQDAMQABAPBQ-SFHVURJKSA-N 1 0 316.445 2.403 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)CNc2ccccc2OC)CC1 ZINC000104050827 519842117 /nfs/dbraw/zinc/84/21/17/519842117.db2.gz YRTRTQUZIFCJGZ-UHFFFAOYSA-N 1 0 319.449 2.345 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000106111405 519921532 /nfs/dbraw/zinc/92/15/32/519921532.db2.gz OAZSUBXFHJIYPX-HNNXBMFYSA-N 1 0 320.433 2.016 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([S@@](C)=O)cc2)C1 ZINC000247358487 520250940 /nfs/dbraw/zinc/25/09/40/520250940.db2.gz QCNXLFIZNHCQOR-MCMMXHMISA-N 1 0 323.462 2.230 10 0 DEAERO c1ccc(COCCCC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422841481 534489215 /nfs/dbraw/zinc/48/92/15/534489215.db2.gz VYJUMELBNBLQRT-MOPGFXCFSA-N 1 0 318.461 2.340 10 0 DEAERO Cc1ccc2nc(C[N@@H+]3CCC[C@H](n4cccn4)C3)cc(=O)n2c1 ZINC000328706887 534494737 /nfs/dbraw/zinc/49/47/37/534494737.db2.gz PVDKEGBSCVZNTE-INIZCTEOSA-N 1 0 323.400 2.037 10 0 DEAERO CCN(CCc1nccs1)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000162084746 521175834 /nfs/dbraw/zinc/17/58/34/521175834.db2.gz DWNWQIVPVUATAJ-AWEZNQCLSA-N 1 0 324.494 2.449 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000156918536 521644278 /nfs/dbraw/zinc/64/42/78/521644278.db2.gz AJWKAWWSZOZYHO-CQSZACIVSA-N 1 0 324.387 2.414 10 0 DEAERO CC[N@@H+]1CC[C@@H]2OCCN(Cc3ncc(Cl)s3)[C@@H]2C1 ZINC000339391771 521716246 /nfs/dbraw/zinc/71/62/46/521716246.db2.gz IHHNZGXTTMKYOS-MNOVXSKESA-N 1 0 301.843 2.092 10 0 DEAERO COCc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccncc2)n1 ZINC000070456274 522935821 /nfs/dbraw/zinc/93/58/21/522935821.db2.gz GLXWGMGCWSTVAD-ZDUSSCGKSA-N 1 0 313.405 2.097 10 0 DEAERO CO[C@@H]1CCN(Cc2cc(-c3cccs3)on2)[C@@H](C[NH3+])C1 ZINC000226418813 523685031 /nfs/dbraw/zinc/68/50/31/523685031.db2.gz QPGRFFLIUBLAEN-CHWSQXEVSA-N 1 0 307.419 2.341 10 0 DEAERO COc1ccc(CNC(=O)C[N@H+](C)[C@H](C)CCSC)cc1 ZINC000126516827 524049775 /nfs/dbraw/zinc/04/97/75/524049775.db2.gz BCGQQTNZSWGNCX-CYBMUJFWSA-N 1 0 310.463 2.385 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000156372480 524329224 /nfs/dbraw/zinc/32/92/24/524329224.db2.gz QFISGGIGIZCQCQ-CQSZACIVSA-N 1 0 319.453 2.173 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c1C ZINC000186507435 534797996 /nfs/dbraw/zinc/79/79/96/534797996.db2.gz QWPCKDWLUDJYJN-ZDUSSCGKSA-N 1 0 303.406 2.191 10 0 DEAERO COc1ccccc1OCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000155664979 524668708 /nfs/dbraw/zinc/66/87/08/524668708.db2.gz XRQSMXYVMVWGHA-CABCVRRESA-N 1 0 320.433 2.309 10 0 DEAERO COc1ccccc1OCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884345 524673694 /nfs/dbraw/zinc/67/36/94/524673694.db2.gz UOGWGNYVWNUIAS-HNNXBMFYSA-N 1 0 316.405 2.078 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccco2)cc1F ZINC000102698670 525147566 /nfs/dbraw/zinc/14/75/66/525147566.db2.gz OHGZUCNCBJJJKV-LLVKDONJSA-N 1 0 306.337 2.394 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2noc3c2CCCCC3)CC[N@@H+]1C ZINC000154338575 525416456 /nfs/dbraw/zinc/41/64/56/525416456.db2.gz JNIIXAPDBIPJRO-CHWSQXEVSA-N 1 0 305.422 2.498 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(CCOc2ccccc2Cl)C[C@@H]1C ZINC000105821073 525796657 /nfs/dbraw/zinc/79/66/57/525796657.db2.gz YGPBEDOPPVYSSS-UONOGXRCSA-N 1 0 312.841 2.106 10 0 DEAERO C[C@H](O)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000246551019 525855019 /nfs/dbraw/zinc/85/50/19/525855019.db2.gz GVXPVTRMKKHELC-SJWGOKEGSA-N 1 0 302.418 2.277 10 0 DEAERO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)COc3ccccc3)C2)c1 ZINC000105900912 526267669 /nfs/dbraw/zinc/26/76/69/526267669.db2.gz DRCNGAILOVAOHO-IRXDYDNUSA-N 1 0 315.417 2.268 10 0 DEAERO CC(C)(C)OC(=O)NC1CC[NH+](C[C@@H](O)c2cccnc2)CC1 ZINC000295707245 526438987 /nfs/dbraw/zinc/43/89/87/526438987.db2.gz RAAJVIGYAVCPTB-OAHLLOKOSA-N 1 0 321.421 2.104 10 0 DEAERO NC(=O)N1CCC([NH2+]Cc2ccc(OC3CCCC3)nc2)CC1 ZINC000162618099 526915295 /nfs/dbraw/zinc/91/52/95/526915295.db2.gz SRZSXHILIQRPEE-UHFFFAOYSA-N 1 0 318.421 2.036 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)C1 ZINC000246721033 527369471 /nfs/dbraw/zinc/36/94/71/527369471.db2.gz XOXWCGPEOLQJNA-GUTXKFCHSA-N 1 0 316.401 2.249 10 0 DEAERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC1CCCCC1 ZINC000154579499 527449995 /nfs/dbraw/zinc/44/99/95/527449995.db2.gz NCRLMXZQAWQAQO-WMLDXEAASA-N 1 0 318.465 2.493 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000157618799 527588028 /nfs/dbraw/zinc/58/80/28/527588028.db2.gz FRJZWPDWQZBYJH-NEPJUHHUSA-N 1 0 315.483 2.278 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000156464562 527649876 /nfs/dbraw/zinc/64/98/76/527649876.db2.gz CNOFKJVXJRAQFW-UHFFFAOYSA-N 1 0 319.453 2.175 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cccc(F)c1F ZINC000189138033 528292408 /nfs/dbraw/zinc/29/24/08/528292408.db2.gz UUSQPIOPRRLAGP-NSHDSACASA-N 1 0 320.405 2.219 10 0 DEAERO CCC(C)(C)CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000190779761 528512447 /nfs/dbraw/zinc/51/24/47/528512447.db2.gz KHQFJJYQCACAIU-AWEZNQCLSA-N 1 0 313.486 2.157 10 0 DEAERO CCCCOC[C@@H](O)CN1CC[NH+](Cc2ccccc2C)CC1 ZINC000193367150 528618308 /nfs/dbraw/zinc/61/83/08/528618308.db2.gz WQWHLJBWMBWTLN-IBGZPJMESA-N 1 0 320.477 2.290 10 0 DEAERO CCOC(=O)C1CCC(O)(C[NH2+][C@@H](CC)[C@H]2CCCO2)CC1 ZINC000191053283 528629568 /nfs/dbraw/zinc/62/95/68/528629568.db2.gz HIGBXJKUKCUUGK-KRIMKBQASA-N 1 0 313.438 2.018 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1ccncc1OC ZINC000189852215 529012395 /nfs/dbraw/zinc/01/23/95/529012395.db2.gz NRDVTDWZCYHWEL-KBPBESRZSA-N 1 0 320.437 2.325 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328928109 529269712 /nfs/dbraw/zinc/26/97/12/529269712.db2.gz XPXQKTMCRQGCQO-KEYYUXOJSA-N 1 0 307.438 2.265 10 0 DEAERO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc(F)cc1Cl ZINC000261558559 535042080 /nfs/dbraw/zinc/04/20/80/535042080.db2.gz BFJJBBCDRVDINH-LLVKDONJSA-N 1 0 308.806 2.131 10 0 DEAERO CC1(C)[C@H]([NH2+]CCn2cc(Br)cn2)[C@H]2CCO[C@H]21 ZINC000368602859 535071717 /nfs/dbraw/zinc/07/17/17/535071717.db2.gz KZCXQMQVBDGUCD-IJLUTSLNSA-N 1 0 314.227 2.049 10 0 DEAERO CC(C)[C@@H](C)CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000172499147 535147863 /nfs/dbraw/zinc/14/78/63/535147863.db2.gz GMPVQASPVDBYLZ-DLBZAZTESA-N 1 0 324.513 2.090 10 0 DEAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000377363023 535242383 /nfs/dbraw/zinc/24/23/83/535242383.db2.gz SGQFPSNEPLVRMR-XIRDDKMYSA-N 1 0 306.450 2.348 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H](C)c2cncc(F)c2)CC1 ZINC000358184648 535244378 /nfs/dbraw/zinc/24/43/78/535244378.db2.gz HLGUIUJZFXBFKA-CYBMUJFWSA-N 1 0 306.385 2.233 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)CC2CCCCC2)C1 ZINC000246482135 535260223 /nfs/dbraw/zinc/26/02/23/535260223.db2.gz WVZDNLZMOXSLDX-UKRRQHHQSA-N 1 0 302.484 2.215 10 0 DEAERO CC1(C)CN(C(=O)Cc2ccccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000261772101 535337093 /nfs/dbraw/zinc/33/70/93/535337093.db2.gz FSGRYGDCBSSCHQ-ZDUSSCGKSA-N 1 0 312.360 2.416 10 0 DEAERO CC1(C)CN(CC(=O)NCc2ccc(Cl)s2)CC[C@H]1[NH3+] ZINC000261647650 535353196 /nfs/dbraw/zinc/35/31/96/535353196.db2.gz GZQBZFBUCPARSP-LLVKDONJSA-N 1 0 315.870 2.077 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCC(C)(C)C[NH+](C)C)CC2 ZINC000372394454 535382811 /nfs/dbraw/zinc/38/28/11/535382811.db2.gz NTLNFSVMDLFYKZ-CYBMUJFWSA-N 1 0 320.481 2.342 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)c2nccn2C)C12CCOCC2 ZINC000248644357 535418547 /nfs/dbraw/zinc/41/85/47/535418547.db2.gz PTQSWXLIUHLESN-RBSFLKMASA-N 1 0 307.438 2.435 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccccc2)C12CCOCC2 ZINC000248977407 535504442 /nfs/dbraw/zinc/50/44/42/535504442.db2.gz HZSOWZLHLJJIPB-RCCFBDPRSA-N 1 0 319.445 2.458 10 0 DEAERO CCC[C@H](C(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1)[NH+](C)C ZINC000249527748 535581421 /nfs/dbraw/zinc/58/14/21/535581421.db2.gz ZEQBVCSXCAYLPD-RBSFLKMASA-N 1 0 310.463 2.013 10 0 DEAERO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC[C@@H](C)O ZINC000450843883 535600638 /nfs/dbraw/zinc/60/06/38/535600638.db2.gz OTTOYXUHMLVYBY-QAPCUYQASA-N 1 0 305.418 2.398 10 0 DEAERO CCOCC[N@@H+]1CCN([C@H](C)c2nc(C3CC3)no2)C[C@@H]1CC ZINC000247381472 535607788 /nfs/dbraw/zinc/60/77/88/535607788.db2.gz VXVVQIUWMJHSCT-HIFRSBDPSA-N 1 0 322.453 2.441 10 0 DEAERO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192720565 535635547 /nfs/dbraw/zinc/63/55/47/535635547.db2.gz AMKFGMAYSHIAAF-MNOVXSKESA-N 1 0 322.430 2.277 10 0 DEAERO CCO[C@@H](C)c1ncc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000261924276 535736162 /nfs/dbraw/zinc/73/61/62/535736162.db2.gz ZFDRRZFRKKUUJH-RWMBFGLXSA-N 1 0 323.462 2.312 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)C2=CCOCC2)CC1 ZINC000187546451 535753770 /nfs/dbraw/zinc/75/37/70/535753770.db2.gz IBTSJNFXYFZOML-UHFFFAOYSA-N 1 0 315.417 2.114 10 0 DEAERO CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@@H](O)CN1CCOCC1 ZINC000247331001 535773667 /nfs/dbraw/zinc/77/36/67/535773667.db2.gz GKHZJRJUXGQAEA-OALUTQOASA-N 1 0 320.477 2.023 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000305334104 535787424 /nfs/dbraw/zinc/78/74/24/535787424.db2.gz NOKISVHLVXGTNH-SJORKVTESA-N 1 0 304.434 2.128 10 0 DEAERO CCc1cnc(CCNC(=O)NCC[N@H+]2CC=C(C)CC2)s1 ZINC000358199832 536023625 /nfs/dbraw/zinc/02/36/25/536023625.db2.gz OJTILBPQUBWBRV-UHFFFAOYSA-N 1 0 322.478 2.199 10 0 DEAERO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CC1CC(O)C1 ZINC000190161496 536182477 /nfs/dbraw/zinc/18/24/77/536182477.db2.gz ISZVQPBTCVEWFN-PIMMBPRGSA-N 1 0 322.474 2.287 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc(-c2cnc(-c3ccncc3)s2)n1 ZINC000261616218 536347192 /nfs/dbraw/zinc/34/71/92/536347192.db2.gz BJVARJIMPWYDAZ-VIFPVBQESA-N 1 0 301.375 2.406 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc([C@@H]2CCCN2C(=O)CC(C)(C)C)n1 ZINC000261831050 536350381 /nfs/dbraw/zinc/35/03/81/536350381.db2.gz REVQQNOMYBCFAO-RYUDHWBXSA-N 1 0 308.426 2.320 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCc3ccccc3O)CC[C@H]21 ZINC000247998047 536377499 /nfs/dbraw/zinc/37/74/99/536377499.db2.gz KAXCJXSNQOUZHI-HZPDHXFCSA-N 1 0 302.418 2.268 10 0 DEAERO COc1ccc2c(CC(=O)N3CC[C@](C)(C[NH3+])C3)coc2c1 ZINC000262195053 536964305 /nfs/dbraw/zinc/96/43/05/536964305.db2.gz ZWRGMRDFEPHTGN-QGZVFWFLSA-N 1 0 302.374 2.181 10 0 DEAERO COc1cccc(COCc2noc(CC[C@H]3CC[NH2+]C3)n2)c1 ZINC000261777089 537109616 /nfs/dbraw/zinc/10/96/16/537109616.db2.gz NPIOVAZJAUWOFQ-ZDUSSCGKSA-N 1 0 317.389 2.337 10 0 DEAERO COc1cc2c(cc1OC)[C@H]1[C@@H]3C(=CC[C@@H]1O[C@H]2O)CC[N@H+]3C ZINC000014583770 560222400 /nfs/dbraw/zinc/22/24/00/560222400.db2.gz VHYYSQODIQWPDO-HNONPPJISA-N 1 0 317.385 2.211 10 0 biogenic,in-vitro DEAERO CC(C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cnc(N)s2)C[C@@H]1C ZINC000725271626 563576792 /nfs/dbraw/zinc/57/67/92/563576792.db2.gz IRDMPBSUTUFWMY-OBJOEFQTSA-N 1 0 324.494 2.344 10 0 DEAERO CO[C@@H](C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000183258632 625298666 /nfs/dbraw/zinc/29/86/66/625298666.db2.gz KSROYQHKCPKFBG-IAGOWNOFSA-N 1 0 321.417 2.274 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000186211016 625391759 /nfs/dbraw/zinc/39/17/59/625391759.db2.gz PYPUOXHLRSBUMJ-GOSISDBHSA-N 1 0 314.433 2.341 10 0 DEAERO O=S(=O)(/C=C\c1ccccc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000254949280 622788609 /nfs/dbraw/zinc/78/86/09/622788609.db2.gz GEHXPGRPGJZZAA-ZHUYAKLQSA-N 1 0 306.431 2.061 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)/C=C\c3ccccc3)CC[C@H]21 ZINC000254949093 622789580 /nfs/dbraw/zinc/78/95/80/622789580.db2.gz GBXJDOQJZBZXAB-YVYLTUATSA-N 1 0 320.458 2.403 10 0 DEAERO C[NH+](C)C1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1 ZINC000120651053 622989302 /nfs/dbraw/zinc/98/93/02/622989302.db2.gz SDUOAKRJTNBGIQ-UHFFFAOYSA-N 1 0 302.418 2.107 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)/C=C\c2ccccc2)CC[N@@H+]1C ZINC000255677079 625614459 /nfs/dbraw/zinc/61/44/59/625614459.db2.gz XJRFVWBOBRTAOG-VGMOZLQASA-N 1 0 308.447 2.402 10 0 DEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc(Br)cs1 ZINC000757190360 623237752 /nfs/dbraw/zinc/23/77/52/623237752.db2.gz RFNXYBVBBMCRTL-RKDXNWHRSA-N 1 0 304.209 2.377 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C/C(Cl)=C\Cl)CC1 ZINC000255716869 625638807 /nfs/dbraw/zinc/63/88/07/625638807.db2.gz CRESWAALAYFYKI-UELRPHRMSA-N 1 0 306.281 2.407 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CSCCS2)[C@H](C)C1 ZINC000246578516 623784551 /nfs/dbraw/zinc/78/45/51/623784551.db2.gz FXTOPOUMZREEFT-RDBSUJKOSA-N 1 0 316.536 2.414 10 0 DEAERO CCn1c(=O)n(C/C=C\c2ccccc2)nc1C1CC[NH2+]CC1 ZINC000096851546 624170119 /nfs/dbraw/zinc/17/01/19/624170119.db2.gz DISXBZSZMIVDFQ-TWGQIWQCSA-N 1 0 312.417 2.245 10 0 DEAERO c1cc([C@H]2OCC[C@@H]2[NH2+]CC2=CCCOC2)n(CC2CC2)n1 ZINC000888076027 625048685 /nfs/dbraw/zinc/04/86/85/625048685.db2.gz QETRZCWMJOWYRQ-RDJZCZTQSA-N 1 0 303.406 2.059 10 0 DEAERO CCn1cncc1C[NH2+][C@H]1CCO[C@@H]1c1ccnn1CC1CC1 ZINC000888076036 625048699 /nfs/dbraw/zinc/04/86/99/625048699.db2.gz QYDGTWKRVQHZPQ-RDJZCZTQSA-N 1 0 315.421 2.129 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1cccnc1Cl ZINC000177696562 625062825 /nfs/dbraw/zinc/06/28/25/625062825.db2.gz DCMJNTVYHACCNL-GFCCVEGCSA-N 1 0 310.829 2.090 10 0 DEAERO COC(=O)CC(C)(C)NCc1nc(-c2cccc(C)c2)no1 ZINC000177924240 625110274 /nfs/dbraw/zinc/11/02/74/625110274.db2.gz INHVKWFIAQIAJO-UHFFFAOYSA-N 1 0 303.362 2.476 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@H]2CCC[C@H]2O)C1 ZINC000299992262 633309268 /nfs/dbraw/zinc/30/92/68/633309268.db2.gz WPFIPBJGOHFPBL-RBSFLKMASA-N 1 0 312.454 2.384 10 0 DEAERO COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333935875 633429162 /nfs/dbraw/zinc/42/91/62/633429162.db2.gz JYIYUCDWKMHHPU-COXVUDFISA-N 1 0 315.417 2.076 10 0 DEAERO COc1ccccc1[C@H](O)CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000178419277 633730837 /nfs/dbraw/zinc/73/08/37/633730837.db2.gz WQOLEMBIZWKFCQ-CWRNSKLLSA-N 1 0 320.433 2.143 10 0 DEAERO Cc1noc(C)c1CCCNC(=[NH2+])NCCc1ccccc1 ZINC000084734401 634055158 /nfs/dbraw/zinc/05/51/58/634055158.db2.gz DZIVOVOVMAOLAX-UHFFFAOYSA-N 1 0 300.406 2.371 10 0 DEAERO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)C=C1CCCCC1)C2 ZINC000888095218 635514030 /nfs/dbraw/zinc/51/40/30/635514030.db2.gz RXUPOIHJAONISD-PSBWJHGTSA-N 1 0 320.477 2.473 10 0 DEAERO CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CC[NH+]2CCCCC2)C1 ZINC000888102699 635563321 /nfs/dbraw/zinc/56/33/21/635563321.db2.gz HCKKMRVDLCBKDO-CVEARBPZSA-N 1 0 306.454 2.274 10 0 DEAERO c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000399708911 635782690 /nfs/dbraw/zinc/78/26/90/635782690.db2.gz XECORZRVVDNSAQ-RYRLBTNJSA-N 1 0 311.473 2.333 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000178561448 635790301 /nfs/dbraw/zinc/79/03/01/635790301.db2.gz WRCUHDYTYCQZBS-RHSMWYFYSA-N 1 0 304.434 2.383 10 0 DEAERO CC(C)([NH3+])CC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000178634148 636114106 /nfs/dbraw/zinc/11/41/06/636114106.db2.gz JVJZMAPMOXNEJO-HNNXBMFYSA-N 1 0 316.401 2.469 10 0 DEAERO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000178963523 637523848 /nfs/dbraw/zinc/52/38/48/637523848.db2.gz SBPSWDKEQXHZPQ-XVJNWHFHSA-N 1 0 314.426 2.479 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](COC)c1ccccc1 ZINC000727089645 637735220 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CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000748242805 638534826 /nfs/dbraw/zinc/53/48/26/638534826.db2.gz RATSYKOYSSKNSQ-MRXNPFEDSA-N 1 0 302.378 2.089 10 0 DEAERO CC(C)c1cnc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)o1 ZINC000749534785 638658478 /nfs/dbraw/zinc/65/84/78/638658478.db2.gz CRIWEFWLDVAFBY-RRFJBIMHSA-N 1 0 307.438 2.482 10 0 DEAERO COCC[NH2+]CCNC(=O)c1sccc1SC(F)F ZINC000237327285 640381007 /nfs/dbraw/zinc/38/10/07/640381007.db2.gz ZPINJBPQCYPLGV-UHFFFAOYSA-N 1 0 310.391 2.029 10 0 DEAERO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000729811596 640844035 /nfs/dbraw/zinc/84/40/35/640844035.db2.gz SLVZEDMXOUSGRI-LBPRGKRZSA-N 1 0 317.364 2.471 10 0 DEAERO C[C@H](OC(=O)c1cccc(C[NH+]2CCCC2)c1)c1nncn1C ZINC000805542372 642027589 /nfs/dbraw/zinc/02/75/89/642027589.db2.gz NWKRXBAAGBFPHP-ZDUSSCGKSA-N 1 0 314.389 2.329 10 0 DEAERO O=C(NCC[N@H+]1CC=CCC1)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000800737369 645300444 /nfs/dbraw/zinc/30/04/44/645300444.db2.gz 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CCn1c(=S)n(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)nc1C1CC1 ZINC000153216459 647386206 /nfs/dbraw/zinc/38/62/06/647386206.db2.gz SIKYCZZEHUMHBT-JSGCOSHPSA-N 1 0 321.494 2.437 10 0 DEAERO Cc1cc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)cc[nH+]1 ZINC000818146134 647425180 /nfs/dbraw/zinc/42/51/80/647425180.db2.gz OTFDJSJCDPZADS-QGZVFWFLSA-N 1 0 314.389 2.224 10 0 DEAERO Cn1c2ccccc2nc1NCc1cc(O[C@@H]2CC[NH2+]C2)ccn1 ZINC000818629017 647492814 /nfs/dbraw/zinc/49/28/14/647492814.db2.gz SNRHVUOTPZXUSB-OAHLLOKOSA-N 1 0 323.400 2.321 10 0 DEAERO Cc1ccc(OCC[N@H+](C)CCCNC(=O)C(F)(F)F)cc1 ZINC000154225279 647939692 /nfs/dbraw/zinc/93/96/92/647939692.db2.gz BXGGWWDPATVHRX-UHFFFAOYSA-N 1 0 318.339 2.374 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000238022220 648464652 /nfs/dbraw/zinc/46/46/52/648464652.db2.gz XZNLHHBIPAWNJU-NEPJUHHUSA-N 1 0 301.390 2.035 10 0 DEAERO CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cc[nH+]cc1 ZINC000180528701 648495882 /nfs/dbraw/zinc/49/58/82/648495882.db2.gz QBMXBOMVEXWWTN-DGCLKSJQSA-N 1 0 322.409 2.464 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@@H]1CSCCS1 ZINC000161328849 648881281 /nfs/dbraw/zinc/88/12/81/648881281.db2.gz ACEPCFXHTMRRDD-QWHCGFSZSA-N 1 0 304.525 2.318 10 0 DEAERO CNc1ncc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)s1 ZINC000182642784 648957060 /nfs/dbraw/zinc/95/70/60/648957060.db2.gz KGBYVBWANHERPX-LBPRGKRZSA-N 1 0 318.446 2.435 10 0 DEAERO COC(=O)C[C@@H](C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183173250 649045631 /nfs/dbraw/zinc/04/56/31/649045631.db2.gz FXUMJHXPOVBBTG-GDBMZVCRSA-N 1 0 319.401 2.393 10 0 DEAERO C=CC[C@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000184273228 649253124 /nfs/dbraw/zinc/25/31/24/649253124.db2.gz VZXLSTAXGFXYGL-LLVKDONJSA-N 1 0 316.195 2.190 10 0 DEAERO Cc1noc(C)c1CCC(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000073188490 649659429 /nfs/dbraw/zinc/65/94/29/649659429.db2.gz ZKOIWEZMKUOANA-HNNXBMFYSA-N 1 0 324.421 2.124 10 0 DEAERO CCOc1ccnc(N2CC[NH+](CCc3cccs3)CC2)n1 ZINC000106152102 651305905 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CCCCO[C@@H]1C[C@@H]([N@H+](C)CN2CCOC2=S)C1(C)C ZINC000083114773 683996810 /nfs/dbraw/zinc/99/68/10/683996810.db2.gz GFZKUNPVNXTJOE-CHWSQXEVSA-N 1 0 300.468 2.477 10 0 DEAERO C[C@H](c1cccc(F)c1)N1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000091689714 684037771 /nfs/dbraw/zinc/03/77/71/684037771.db2.gz HNVDRIQGOJFFHI-CABCVRRESA-N 1 0 320.408 2.458 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000093795573 684051523 /nfs/dbraw/zinc/05/15/23/684051523.db2.gz GMSADIAVRUYQNL-HZPDHXFCSA-N 1 0 315.417 2.248 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2cccnc2Cl)CC[N@@H+]1C ZINC000123809513 684128351 /nfs/dbraw/zinc/12/83/51/684128351.db2.gz FPWUASONHHSHMP-NEPJUHHUSA-N 1 0 310.829 2.088 10 0 DEAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC000125267655 684143953 /nfs/dbraw/zinc/14/39/53/684143953.db2.gz STCFJIIPVCUPEL-ZDUSSCGKSA-N 1 0 311.385 2.383 10 0 DEAERO CCOCc1nc(Cl)cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000130150843 684185832 /nfs/dbraw/zinc/18/58/32/684185832.db2.gz LPLLJKPRLIGSMH-NEPJUHHUSA-N 1 0 310.829 2.339 10 0 DEAERO c1ccc(C[C@@H](CN2CCOCC2)[NH2+][C@@H]2CCCSC2)cc1 ZINC000131460094 684199618 /nfs/dbraw/zinc/19/96/18/684199618.db2.gz FFSQCQGJNVAYTM-MSOLQXFVSA-N 1 0 320.502 2.415 10 0 DEAERO CCC[C@@H](C(=O)N(C)CCOc1ccccc1OC)[NH+](C)C ZINC000137231532 684244024 /nfs/dbraw/zinc/24/40/24/684244024.db2.gz XXOVRHHOFSBPDU-AWEZNQCLSA-N 1 0 308.422 2.263 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CCC1=O ZINC000187402985 684337171 /nfs/dbraw/zinc/33/71/71/684337171.db2.gz NSJYIIAZNATLKB-AWEZNQCLSA-N 1 0 304.390 2.042 10 0 DEAERO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187815345 684344073 /nfs/dbraw/zinc/34/40/73/684344073.db2.gz WJBNDPLCVHFGIY-LBPRGKRZSA-N 1 0 322.430 2.283 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)CC1CCC2(CC1)OCCO2 ZINC000188190407 684350883 /nfs/dbraw/zinc/35/08/83/684350883.db2.gz NOHZUUCZEBHXJL-AWEZNQCLSA-N 1 0 312.454 2.156 10 0 DEAERO C[NH+](C)[C@H]1CCN(Cn2nc(C(F)(F)F)sc2=S)C1 ZINC000188663172 684360908 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CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CSCCS2)C1 ZINC000246502577 685131282 /nfs/dbraw/zinc/13/12/82/685131282.db2.gz BFXPBOPXBOMYCJ-FRRDWIJNSA-N 1 0 302.509 2.070 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000246700809 685134455 /nfs/dbraw/zinc/13/44/55/685134455.db2.gz WGPLMKNQTWPXON-BZUAXINKSA-N 1 0 308.397 2.273 10 0 DEAERO CC[C@H]1CN(C[C@@H](O)c2cc(C)cc(C)c2)CC[N@@H+]1CCOC ZINC000246810835 685136938 /nfs/dbraw/zinc/13/69/38/685136938.db2.gz WJVQDVJSGAHRFM-RBUKOAKNSA-N 1 0 320.477 2.379 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCSC(F)(F)F)C1 ZINC000246980456 685140088 /nfs/dbraw/zinc/14/00/88/685140088.db2.gz GHFFSCSPDUJPSY-VHSXEESVSA-N 1 0 313.389 2.267 10 0 DEAERO Cc1cc(C)cc([C@H](O)CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000249431528 685179934 /nfs/dbraw/zinc/17/99/34/685179934.db2.gz ZEWUUNZBCBDLGK-FUHWJXTLSA-N 1 0 320.477 2.114 10 0 DEAERO CO[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC[C@H]1C ZINC000249989204 685188797 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CN(C)c1ccc([C@H]2CCC[N@@H+]2Cc2c[nH]c3nccnc23)nn1 ZINC000886079391 691998932 /nfs/dbraw/zinc/99/89/32/691998932.db2.gz KTSHHDWVHYAVTP-CQSZACIVSA-N 1 0 323.404 2.103 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)/C(C)=C\c1ccc(C)cc1 ZINC000588398203 777069470 /nfs/dbraw/zinc/06/94/70/777069470.db2.gz PWKOYMVOHVOXER-PEZBUJJGSA-N 1 0 304.434 2.483 10 0 DEAERO CC(C)(C)OC(=O)N1CC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000723634355 777146331 /nfs/dbraw/zinc/14/63/31/777146331.db2.gz UEUZIYHCBVLMFW-MGPQQGTHSA-N 1 0 310.438 2.401 10 0 DEAERO CC[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)[C@@H]1CCCOC1 ZINC000724000070 777218512 /nfs/dbraw/zinc/21/85/12/777218512.db2.gz BWTQUOGBRLWSGB-KURKYZTESA-N 1 0 307.434 2.359 10 0 DEAERO C[C@@H]1CC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C[C@@H](C)O1 ZINC000724095333 777239648 /nfs/dbraw/zinc/23/96/48/777239648.db2.gz BPNUJVAFEPKOHP-NQMVMOMDSA-N 1 0 305.287 2.481 10 0 DEAERO Cc1cnc(C[NH2+]C[C@@H](O)COCc2ccccc2)c(C)c1 ZINC000724095422 777239777 /nfs/dbraw/zinc/23/97/77/777239777.db2.gz KKQHQJJSTVNOOQ-QGZVFWFLSA-N 1 0 300.402 2.366 10 0 DEAERO Cc1nc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cs1 ZINC000724343566 777279060 /nfs/dbraw/zinc/27/90/60/777279060.db2.gz NRIPNILDPISUEM-OTQBISOXSA-N 1 0 300.449 2.210 10 0 DEAERO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000724875572 777506399 /nfs/dbraw/zinc/50/63/99/777506399.db2.gz BJZOYAFZHRMABF-CHWSQXEVSA-N 1 0 318.186 2.482 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@H]2CC23CC(O)C3)C1 ZINC000724954534 777535179 /nfs/dbraw/zinc/53/51/79/777535179.db2.gz ZUGMQCNDSKISOZ-PEUXKQIOSA-N 1 0 310.438 2.137 10 0 DEAERO Brc1sccc1C[NH2+]CCO[C@H]1CCOC1 ZINC000724978404 777547954 /nfs/dbraw/zinc/54/79/54/777547954.db2.gz PNTYYNSNMMUREV-JTQLQIEISA-N 1 0 306.225 2.406 10 0 DEAERO CC(C)(C)OC(=O)NCCC[NH2+][C@@H](CCO)C1CCCC1 ZINC000725097944 777585131 /nfs/dbraw/zinc/58/51/31/777585131.db2.gz GBBNODJHGFTYJO-AWEZNQCLSA-N 1 0 300.443 2.432 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000725113432 777588197 /nfs/dbraw/zinc/58/81/97/777588197.db2.gz LFECCDSTKZRJJG-ZYHUDNBSSA-N 1 0 302.465 2.113 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000725116574 777589384 /nfs/dbraw/zinc/58/93/84/777589384.db2.gz HOVZZZSNGKAUHM-ZDUSSCGKSA-N 1 0 310.444 2.343 10 0 DEAERO CCS(=O)(=O)C1(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000721614611 777797053 /nfs/dbraw/zinc/79/70/53/777797053.db2.gz PRAITYKYVJGVTB-QWHCGFSZSA-N 1 0 303.468 2.137 10 0 DEAERO CCN(Cc1cccc(Cl)c1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000722237325 778511379 /nfs/dbraw/zinc/51/13/79/778511379.db2.gz FIPYQLDTBMOLFM-AWEZNQCLSA-N 1 0 316.854 2.244 10 0 DEAERO FC(F)(F)[C@@H]1CC[C@H](C[NH2+]C2CCC3(CC2)OCCO3)O1 ZINC000722380097 778680288 /nfs/dbraw/zinc/68/02/88/778680288.db2.gz OMKPJNPCFGFWTM-NEPJUHHUSA-N 1 0 309.328 2.372 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000722243126 787327775 /nfs/dbraw/zinc/32/77/75/787327775.db2.gz GSODTFOHOAXSCG-LEOABGAYSA-N 1 0 323.481 2.314 10 0 DEAERO C[C@@H]1[C@H]([NH2+]CC[C@H]2CC(=O)N(C)C2)CCN1Cc1ccccc1 ZINC000723582000 787344534 /nfs/dbraw/zinc/34/45/34/787344534.db2.gz MSQXLKAQAMDWOH-BPQIPLTHSA-N 1 0 315.461 2.107 10 0 DEAERO CC(C)(C)C[C@@H](O)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724050524 787347791 /nfs/dbraw/zinc/34/77/91/787347791.db2.gz YEBGWAGIOJZLRM-SCZZXKLOSA-N 1 0 307.303 2.322 10 0 DEAERO CCC(CC)(CO)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724050865 787347820 /nfs/dbraw/zinc/34/78/20/787347820.db2.gz ZVEAHOUULAHJLN-VIFPVBQESA-N 1 0 307.303 2.323 10 0 DEAERO Cn1cnc(CC[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000724091135 787349179 /nfs/dbraw/zinc/34/91/79/787349179.db2.gz IYPBDLXZFYAZSM-UONOGXRCSA-N 1 0 322.453 2.246 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CC(O)C3)C1 ZINC000725001404 787356058 /nfs/dbraw/zinc/35/60/58/787356058.db2.gz NNWNRAZQRCFUCB-KCNXFKOVSA-N 1 0 310.438 2.183 10 0 DEAERO CC(C)[N@@H+]1CC[C@@H](CNCc2cn(C)nc2Br)C1 ZINC000712460603 792188641 /nfs/dbraw/zinc/18/86/41/792188641.db2.gz DXMWHQBTXZPRNR-NSHDSACASA-N 1 0 315.259 2.003 10 0 DEAERO C[C@@H](CNCc1cn(C)nc1Br)C[NH+]1CCCC1 ZINC000712462118 792188865 /nfs/dbraw/zinc/18/88/65/792188865.db2.gz KISFUJIKNQNGQV-NSHDSACASA-N 1 0 315.259 2.004 10 0 DEAERO Cn1cc(C[NH2+]CCc2ccc(O)cc2)c(Br)n1 ZINC000712459183 792189043 /nfs/dbraw/zinc/18/90/43/792189043.db2.gz LMGXZQPXQHXBFL-UHFFFAOYSA-N 1 0 310.195 2.221 10 0 DEAERO Cn1cc(C[NH2+]CCOc2ccccc2)c(Br)n1 ZINC000712461819 792189389 /nfs/dbraw/zinc/18/93/89/792189389.db2.gz XGHPVTBBGYJYPT-UHFFFAOYSA-N 1 0 310.195 2.351 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000712610198 792193323 /nfs/dbraw/zinc/19/33/23/792193323.db2.gz XTQVSWVNVCYSGE-ZNMIVQPWSA-N 1 0 311.470 2.458 10 0 DEAERO [NH3+]CCN(Cc1ccccc1)C[C@H]1CC2(CO1)CCOCC2 ZINC000712610432 792194014 /nfs/dbraw/zinc/19/40/14/792194014.db2.gz UIOJYRVYGAYACV-QGZVFWFLSA-N 1 0 304.434 2.033 10 0 DEAERO CO[C@@]1(C[NH2+]CCc2sccc2Br)CCOC1 ZINC000713064491 792214359 /nfs/dbraw/zinc/21/43/59/792214359.db2.gz KUVQOWCCFUWWML-GFCCVEGCSA-N 1 0 320.252 2.448 10 0 DEAERO CC(C)S(=O)(=O)CCC[NH2+]C1(CO)CCCCCCC1 ZINC000713464863 792233516 /nfs/dbraw/zinc/23/35/16/792233516.db2.gz YIIIPAGQUFXRSS-UHFFFAOYSA-N 1 0 305.484 2.265 10 0 DEAERO [NH3+]C[C@@H]1C[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)CO1 ZINC000713859517 792262026 /nfs/dbraw/zinc/26/20/26/792262026.db2.gz RDSVWAUGZUXFPW-SCZZXKLOSA-N 1 0 302.346 2.304 10 0 DEAERO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)cn1 ZINC000714343253 792309438 /nfs/dbraw/zinc/30/94/38/792309438.db2.gz VPPVUYSFJCCCON-JQWIXIFHSA-N 1 0 302.827 2.353 10 0 DEAERO CCC1([NH3+])CCN(S(=O)(=O)c2ccc(C)cc2F)CC1 ZINC000714332364 792309628 /nfs/dbraw/zinc/30/96/28/792309628.db2.gz XXLPAGFIZZEDCU-UHFFFAOYSA-N 1 0 300.399 2.026 10 0 DEAERO C[NH+](C)[C@H]1CCC[C@@H](NCc2nc(Br)c[nH]2)C1 ZINC000715489895 792469607 /nfs/dbraw/zinc/46/96/07/792469607.db2.gz GBFQTRIAPRNPEF-ZJUUUORDSA-N 1 0 301.232 2.135 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@H](NCc2nc(Br)c[nH]2)C1 ZINC000715489893 792470303 /nfs/dbraw/zinc/47/03/03/792470303.db2.gz GBFQTRIAPRNPEF-VHSXEESVSA-N 1 0 301.232 2.135 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C)c1cn(C)nn1 ZINC000715851263 792525529 /nfs/dbraw/zinc/52/55/29/792525529.db2.gz DGUKVAKERKQMBO-RWMBFGLXSA-N 1 0 323.441 2.254 10 0 DEAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccns1 ZINC000715968953 792540913 /nfs/dbraw/zinc/54/09/13/792540913.db2.gz WPLCDBGSIZAXRV-NXEZZACHSA-N 1 0 311.432 2.202 10 0 DEAERO NC(=O)C1CC([NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000716715304 793002589 /nfs/dbraw/zinc/00/25/89/793002589.db2.gz FZBBMVNLYSGSJM-IEIXJENWSA-N 1 0 315.236 2.351 10 0 DEAERO CC1(C)CO[C@H](CC[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000717302335 799376286 /nfs/dbraw/zinc/37/62/86/799376286.db2.gz XASMDVYGDHERCS-SECBINFHSA-N 1 0 302.216 2.467 10 0 DEAERO CC1(C)CO[C@@H](CC[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000717302339 799376313 /nfs/dbraw/zinc/37/63/13/799376313.db2.gz XASMDVYGDHERCS-VIFPVBQESA-N 1 0 302.216 2.467 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000216125552 799379035 /nfs/dbraw/zinc/37/90/35/799379035.db2.gz QIMMFEVAMJOWGQ-VKYBYORPSA-N 1 0 314.838 2.310 10 0 DEAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000717531720 799423817 /nfs/dbraw/zinc/42/38/17/799423817.db2.gz HULDBRBQJZZYIH-KGLIPLIRSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@H]([NH2+]Cc1cccc([C@]2(C)NC(=O)NC2=O)c1)c1ccco1 ZINC000178382747 801678784 /nfs/dbraw/zinc/67/87/84/801678784.db2.gz NKHBAUOMJHKNDK-GTNSWQLSSA-N 1 0 313.357 2.185 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401654609 801837694 /nfs/dbraw/zinc/83/76/94/801837694.db2.gz SLNWNUIESFRVMI-VHDGCEQUSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401702653 801844034 /nfs/dbraw/zinc/84/40/34/801844034.db2.gz AWGQNZIVWPYTQR-QLFBSQMISA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000401858617 801855338 /nfs/dbraw/zinc/85/53/38/801855338.db2.gz WOUYVOJVKVMVMW-ZOBORPQBSA-N 1 0 312.454 2.381 10 0 DEAERO CC[C@H]([NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)[C@H](C)O ZINC000401873103 801855854 /nfs/dbraw/zinc/85/58/54/801855854.db2.gz LXNWYRSAEXSBMT-RQJABVFESA-N 1 0 300.443 2.381 10 0 DEAERO CC1(C)COC[C@H]1[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401952608 801859326 /nfs/dbraw/zinc/85/93/26/801859326.db2.gz VUABDTVPGQIDHQ-JKSUJKDBSA-N 1 0 318.417 2.412 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(C)(C)O ZINC000401938083 801859707 /nfs/dbraw/zinc/85/97/07/801859707.db2.gz NLVMBOJRCWVKRZ-UKRRQHHQSA-N 1 0 306.406 2.147 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CC2)C12CCC2 ZINC000405300262 802049349 /nfs/dbraw/zinc/04/93/49/802049349.db2.gz JBFXGURJERZGBJ-BFHYXJOUSA-N 1 0 310.438 2.183 10 0 DEAERO CC(C)([NH3+])CCNS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000406085444 802109533 /nfs/dbraw/zinc/10/95/33/802109533.db2.gz ZGKAKFZMYZKMQH-JXMROGBWSA-N 1 0 302.827 2.358 10 0 DEAERO COc1ccc(C[NH2+]CCc2ccccn2)c(OC)c1OC ZINC000057681529 1078753928 /nfs/dbraw/zinc/75/39/28/1078753928.db2.gz ULRQCJNLXAIHIA-UHFFFAOYSA-N 1 0 302.374 2.440 10 0 DEAERO O=C(Cc1cccs1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062713182 1074983814 /nfs/dbraw/zinc/98/38/14/1074983814.db2.gz CVOIZKRIBKBSRN-HNNXBMFYSA-N 1 0 300.427 2.334 10 0 DEAERO c1ccc2c(c1)OC[C@@H](C[NH2+]Cc1ccc3c(c1)OCCO3)O2 ZINC000078371786 1080608313 /nfs/dbraw/zinc/60/83/13/1080608313.db2.gz OMVATYQYJKQSLT-CQSZACIVSA-N 1 0 313.353 2.387 10 0 DEAERO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000720509191 1085262214 /nfs/dbraw/zinc/26/22/14/1085262214.db2.gz GXXKFWYDYQEMCG-CHWSQXEVSA-N 1 0 314.886 2.051 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(Br)nc1 ZINC000720831666 1086194931 /nfs/dbraw/zinc/19/49/31/1086194931.db2.gz WMBJZICQTOLZGB-NWDGAFQWSA-N 1 0 324.222 2.153 10 0 DEAERO Cn1ccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)c1 ZINC000700238973 1086312171 /nfs/dbraw/zinc/31/21/71/1086312171.db2.gz SYAHZLKVQDXCOL-UHFFFAOYSA-N 1 0 323.437 2.189 10 0 DEAERO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000700736473 1086331696 /nfs/dbraw/zinc/33/16/96/1086331696.db2.gz GELYTLJKZNPJIJ-OCCSQVGLSA-N 1 0 308.426 2.216 10 0 DEAERO CN(CC[N@H+](C)CCO)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000701096952 1086353061 /nfs/dbraw/zinc/35/30/61/1086353061.db2.gz YIPUXWJSXNFXEJ-UHFFFAOYSA-N 1 0 323.195 2.129 10 0 DEAERO C[NH2+]C[C@H](C)NC(=O)/C=C/c1ccc(C)cc1Br ZINC000701878156 1086389717 /nfs/dbraw/zinc/38/97/17/1086389717.db2.gz SGTGFHSPOTYSCV-MLRMMBSGSA-N 1 0 311.223 2.495 10 0 DEAERO C[C@@H]1OC[C@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)[C@@H]1C ZINC000701932874 1086394911 /nfs/dbraw/zinc/39/49/11/1086394911.db2.gz ZWPMMSQEOQFPAY-ZOVYBMJKSA-N 1 0 310.438 2.399 10 0 DEAERO O=C(c1csc(Br)c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000702237778 1086417991 /nfs/dbraw/zinc/41/79/91/1086417991.db2.gz NHBLOLLXRPEXNG-SNVBAGLBSA-N 1 0 315.236 2.431 10 0 DEAERO O=C(c1cc(Cl)ncc1Cl)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702295735 1086420266 /nfs/dbraw/zinc/42/02/66/1086420266.db2.gz IIXWSQKUPYFWQW-VIFPVBQESA-N 1 0 300.189 2.309 10 0 DEAERO O=S1(=O)CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000704305037 1086576990 /nfs/dbraw/zinc/57/69/90/1086576990.db2.gz GRTCJWXUKDFREN-UHFFFAOYSA-N 1 0 313.366 2.434 10 0 DEAERO COCc1cccc(C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)c1 ZINC000705595594 1086617747 /nfs/dbraw/zinc/61/77/47/1086617747.db2.gz FAKLJOHSCBRHGF-OAHLLOKOSA-N 1 0 322.405 2.474 10 0 DEAERO Cc1ccc(/C=C/C(=O)NCC2C[NH2+]C2)c(Br)c1 ZINC000706114845 1086631233 /nfs/dbraw/zinc/63/12/33/1086631233.db2.gz LVVCKQRLYDKYSO-SNAWJCMRSA-N 1 0 309.207 2.106 10 0 DEAERO Cc1ccc(/C=C\C(=O)NCC2C[NH2+]C2)c(Br)c1 ZINC000706114843 1086631296 /nfs/dbraw/zinc/63/12/96/1086631296.db2.gz LVVCKQRLYDKYSO-PLNGDYQASA-N 1 0 309.207 2.106 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000710908959 1086690352 /nfs/dbraw/zinc/69/03/52/1086690352.db2.gz XUCCUGMXZZARSM-QWHCGFSZSA-N 1 0 314.426 2.127 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000710988334 1086692125 /nfs/dbraw/zinc/69/21/25/1086692125.db2.gz LHBPPNMMPBLDMA-YNEHKIRRSA-N 1 0 314.426 2.125 10 0 DEAERO CC1(C)CC[C@H](C[NH2+]Cc2nc(Br)c[nH]2)OC1 ZINC000711229014 1087024490 /nfs/dbraw/zinc/02/44/90/1087024490.db2.gz VXQPLCSKFJYBIW-SECBINFHSA-N 1 0 302.216 2.467 10 0 DEAERO CN(CCOCc1ccccc1)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711382860 1087079381 /nfs/dbraw/zinc/07/93/81/1087079381.db2.gz YLCWYFISCHMFQI-AEFFLSMTSA-N 1 0 302.418 2.194 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)sc1Cl ZINC000711622324 1087176774 /nfs/dbraw/zinc/17/67/74/1087176774.db2.gz JANKZIWKBKQUSZ-BXKDBHETSA-N 1 0 320.867 2.273 10 0 DEAERO O=C(Cc1ccc(Br)cc1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000711698156 1087190933 /nfs/dbraw/zinc/19/09/33/1087190933.db2.gz NFYVECSDHIBTKH-ZFWWWQNUSA-N 1 0 323.234 2.392 10 0 DEAERO COC(=O)c1cc(C[NH2+]C[C@]2(OC)CCSC2)cs1 ZINC000719266321 1088914458 /nfs/dbraw/zinc/91/44/58/1088914458.db2.gz BATRIFIBSCJKHW-CYBMUJFWSA-N 1 0 301.433 2.146 10 0 DEAERO Cc1nc(C[NH2+]C[C@@]2(O)CCSC2)sc1Br ZINC000719294228 1088932360 /nfs/dbraw/zinc/93/23/60/1088932360.db2.gz WBICYMJNBOHAQE-JTQLQIEISA-N 1 0 323.281 2.172 10 0 DEAERO Cc1nc(C[NH2+]CCC[S@@](C)=O)sc1Br ZINC000719325304 1088952903 /nfs/dbraw/zinc/95/29/03/1088952903.db2.gz AGOJYUNVEIAFKW-OAHLLOKOSA-N 1 0 311.270 2.072 10 0 DEAERO Cc1conc1CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000720380799 1089023857 /nfs/dbraw/zinc/02/38/57/1089023857.db2.gz VLROLRVLLFSBOT-GOSISDBHSA-N 1 0 315.417 2.052 10 0 DEAERO C[C@@H]1[C@H](NC(=O)c2ccc(F)cc2Br)CC[N@@H+]1C ZINC000719387643 1089058044 /nfs/dbraw/zinc/05/80/44/1089058044.db2.gz KYWAZBSTGXRJNV-PRHODGIISA-N 1 0 315.186 2.411 10 0 DEAERO C[C@@H]1[C@H](NC(=O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000719384322 1089077092 /nfs/dbraw/zinc/07/70/92/1089077092.db2.gz CUCAITFCPATXBO-PRHODGIISA-N 1 0 315.186 2.411 10 0 DEAERO C[C@H](O)[C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000387016616 1144509169 /nfs/dbraw/zinc/50/91/69/1144509169.db2.gz ODIWEWFNMIPZGJ-YUMQZZPRSA-N 1 0 303.156 2.216 10 0 DEAERO CC(C)N(C)S(=O)(=O)N1CCCc2cc([C@@H](C)[NH3+])ccc21 ZINC000162069489 197541552 /nfs/dbraw/zinc/54/15/52/197541552.db2.gz RDNHWVFFRUVQOS-GFCCVEGCSA-N 1 0 311.451 2.044 10 0 DEAERO CCc1ccc([C@@H]([NH3+])[C@@H](C)SCCS(C)(=O)=O)cc1 ZINC000081768192 192321292 /nfs/dbraw/zinc/32/12/92/192321292.db2.gz ITQJMAVIFYQECK-RISCZKNCSA-N 1 0 301.477 2.415 10 0 DEAERO CC(C)(C)S(=O)(=O)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000081767896 192322028 /nfs/dbraw/zinc/32/20/28/192322028.db2.gz XRZJSIRFLDMGEA-CQSZACIVSA-N 1 0 302.484 2.359 10 0 DEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)SCCS(C)(=O)=O ZINC000081768867 192322763 /nfs/dbraw/zinc/32/27/63/192322763.db2.gz ISOBQUCXLVFOPQ-RISCZKNCSA-N 1 0 317.476 2.122 10 0 DEAERO CC[NH2+][C@@H](CSCCS(C)(=O)=O)c1ccccc1OC ZINC000081768743 192322975 /nfs/dbraw/zinc/32/29/75/192322975.db2.gz IOWUFNKKDKNKTR-ZDUSSCGKSA-N 1 0 317.476 2.124 10 0 DEAERO CC[NH2+][C@H](CSCCS(C)(=O)=O)c1cccc(OC)c1 ZINC000081769106 192323471 /nfs/dbraw/zinc/32/34/71/192323471.db2.gz TWDRKWBTCUAZHL-CQSZACIVSA-N 1 0 317.476 2.124 10 0 DEAERO COc1ccc([C@@H]([NH3+])CSc2nnc(N(C)C)s2)cc1 ZINC000081769380 192323518 /nfs/dbraw/zinc/32/35/18/192323518.db2.gz JRTCQAHCWWTOPY-NSHDSACASA-N 1 0 310.448 2.405 10 0 DEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000423681009 230534663 /nfs/dbraw/zinc/53/46/63/230534663.db2.gz SHSFACWWAWRIJF-PELKAZGASA-N 1 0 303.189 2.320 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000076958659 185060834 /nfs/dbraw/zinc/06/08/34/185060834.db2.gz XVJUPEMZKFCHLG-WBMJQRKESA-N 1 0 306.381 2.120 10 0 DEAERO CC[NH2+][C@H](CSCC(=O)OC)c1ccc2c(c1)OCCO2 ZINC000081793186 192324796 /nfs/dbraw/zinc/32/47/96/192324796.db2.gz FNSIZOQULLXGGS-GFCCVEGCSA-N 1 0 311.403 2.015 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1Sc1nnc(C)n1C ZINC000081886243 192334394 /nfs/dbraw/zinc/33/43/94/192334394.db2.gz KQLGVTNEXYQEQY-KBPBESRZSA-N 1 0 304.419 2.327 10 0 DEAERO CCC[NH2+][C@H](c1ccccc1)[C@@H](C)Sc1n[nH]c(=O)n1C ZINC000081880662 192334524 /nfs/dbraw/zinc/33/45/24/192334524.db2.gz NUXHYSJYQMSSRT-YPMHNXCESA-N 1 0 306.435 2.330 10 0 DEAERO [NH3+][C@H]1CCC2(C[C@H]1Sc1ccc(Cl)cn1)OCCO2 ZINC000081895991 192334565 /nfs/dbraw/zinc/33/45/65/192334565.db2.gz JKWIMXJFUALNDW-WDEREUQCSA-N 1 0 300.811 2.450 10 0 DEAERO [NH3+]CCc1cc(I)nc(C(F)(F)F)c1 ZINC000095767999 185384145 /nfs/dbraw/zinc/38/41/45/185384145.db2.gz CGWNGKVWEPYMOH-UHFFFAOYSA-N 1 0 316.064 2.206 10 0 DEAERO C[C@H](CS(C)(=O)=O)NC1=[NH+]C2(CS1)CCC(C)CC2 ZINC000081904926 192336942 /nfs/dbraw/zinc/33/69/42/192336942.db2.gz ZNSVRHAUCQZOIO-QWKFWESOSA-N 1 0 304.481 2.061 10 0 DEAERO CSCC[C@H](C)N(C)S(=O)(=O)c1cc(C[NH3+])sc1C ZINC000162568662 197575056 /nfs/dbraw/zinc/57/50/56/197575056.db2.gz UXHVDTUBVUWDBR-VIFPVBQESA-N 1 0 322.521 2.277 10 0 DEAERO COc1ccc(C[NH3+])cc1CS(=O)(=O)c1ccc(F)cc1 ZINC000081921105 192338565 /nfs/dbraw/zinc/33/85/65/192338565.db2.gz DPGLFTIAEXQXBK-UHFFFAOYSA-N 1 0 309.362 2.267 10 0 DEAERO [NH3+]CCc1ccc(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]32)s1 ZINC000162849804 197596744 /nfs/dbraw/zinc/59/67/44/197596744.db2.gz IWOBLRKOBVQCBP-YPMHNXCESA-N 1 0 314.476 2.203 10 0 DEAERO COc1ccc(C[NH3+])cc1CS(=O)(=O)Cc1ccccc1 ZINC000081923636 192340178 /nfs/dbraw/zinc/34/01/78/192340178.db2.gz HXKLNMADTJFBOR-UHFFFAOYSA-N 1 0 305.399 2.269 10 0 DEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)c1ccccc1F ZINC000081922859 192340270 /nfs/dbraw/zinc/34/02/70/192340270.db2.gz BPGLWWBYKFNAKZ-CVEARBPZSA-N 1 0 305.374 2.485 10 0 DEAERO CCC[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1S(=O)(=O)CC ZINC000081925731 192340291 /nfs/dbraw/zinc/34/02/91/192340291.db2.gz RVXFIXGUCKNMJD-CVEARBPZSA-N 1 0 311.447 2.485 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)c1cccc(OC)c1)c1ccccc1 ZINC000081923577 192340388 /nfs/dbraw/zinc/34/03/88/192340388.db2.gz REPYETCXHRWHHB-MRXNPFEDSA-N 1 0 305.399 2.430 10 0 DEAERO C[NH2+][C@@H](C)C[C@@H](C)c1c(Br)cnn1CCOC ZINC000163237032 197619177 /nfs/dbraw/zinc/61/91/77/197619177.db2.gz SPFZUCVFAVGPQJ-ZJUUUORDSA-N 1 0 304.232 2.394 10 0 DEAERO CC[C@@H](CS(=O)(=O)c1ccc(Br)cc1)[NH2+]C ZINC000081933844 192341003 /nfs/dbraw/zinc/34/10/03/192341003.db2.gz LWLUIHJBRCSLMB-JTQLQIEISA-N 1 0 306.225 2.221 10 0 DEAERO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000129303022 282134852 /nfs/dbraw/zinc/13/48/52/282134852.db2.gz WTMKTTJKEJNTIO-HIFRSBDPSA-N 1 0 303.406 2.103 10 0 DEAERO CC[N@H+](CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C)C1CC1 ZINC000152277376 282139700 /nfs/dbraw/zinc/13/97/00/282139700.db2.gz JVPKHHBIQHZYLH-OAHLLOKOSA-N 1 0 304.438 2.185 10 0 DEAERO [NH3+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000081934084 192343024 /nfs/dbraw/zinc/34/30/24/192343024.db2.gz PWRXIGIIWCAXFX-CABCVRRESA-N 1 0 309.337 2.363 10 0 DEAERO C[NH+](C)C1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC000078992650 185142212 /nfs/dbraw/zinc/14/22/12/185142212.db2.gz UGRKVKSSHYFUDU-ZDUSSCGKSA-N 1 0 322.836 2.444 10 0 DEAERO COC(=O)[C@H](C)CN(C)C(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079291330 185163507 /nfs/dbraw/zinc/16/35/07/185163507.db2.gz JMAHWUYWKBZKRE-CHWSQXEVSA-N 1 0 300.443 2.045 10 0 DEAERO COC(=O)[C@H](NC(=O)CC[C@@H](CC[NH3+])C(C)(C)C)C(C)C ZINC000079292164 185163762 /nfs/dbraw/zinc/16/37/62/185163762.db2.gz BOYNEKMQCVDQFK-GXTWGEPZSA-N 1 0 300.443 2.092 10 0 DEAERO CN(CCC(N)=S)C(=O)C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000079342516 185165949 /nfs/dbraw/zinc/16/59/49/185165949.db2.gz NOJPUQWUAMCLNG-CYBMUJFWSA-N 1 0 313.511 2.269 10 0 DEAERO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000152819369 282155252 /nfs/dbraw/zinc/15/52/52/282155252.db2.gz RNMITYDLUVLJAH-WBVHZDCISA-N 1 0 320.408 2.285 10 0 DEAERO COCCN(C(=O)CC[C@H](CC[NH3+])C(C)C)[C@@H]1CCSC1 ZINC000079276824 185163125 /nfs/dbraw/zinc/16/31/25/185163125.db2.gz OEUPKDMDIOZCBJ-HUUCEWRRSA-N 1 0 316.511 2.368 10 0 DEAERO COc1cccc([C@@H](C)[NH+]2CCN(c3cnn(C)c3)CC2)c1 ZINC000079473927 185172881 /nfs/dbraw/zinc/17/28/81/185172881.db2.gz UHYJJDKAPBWOBE-CQSZACIVSA-N 1 0 300.406 2.312 10 0 DEAERO CCC[NH2+][C@H]1c2ccccc2CC[C@H]1S(=O)(=O)CCOC ZINC000081944549 192345822 /nfs/dbraw/zinc/34/58/22/192345822.db2.gz URKPGMHITAUUHX-CVEARBPZSA-N 1 0 311.447 2.103 10 0 DEAERO CN(C(=O)c1ccc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000082499411 185187054 /nfs/dbraw/zinc/18/70/54/185187054.db2.gz TUYLZDMZPLGFKH-QMMMGPOBSA-N 1 0 303.225 2.335 10 0 DEAERO CN(CC1([NH+](C)C)CCC1)c1nnc(Br)s1 ZINC000165261907 197672557 /nfs/dbraw/zinc/67/25/57/197672557.db2.gz ITIIBVQMCZKDOQ-UHFFFAOYSA-N 1 0 305.245 2.221 10 0 DEAERO CC[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(OC)cc1 ZINC000170826285 282180580 /nfs/dbraw/zinc/18/05/80/282180580.db2.gz HKHMJPCZIRWQJJ-ZBFHGGJFSA-N 1 0 305.422 2.492 10 0 DEAERO CC(C)[C@@H](C[NH3+])Nc1ccccc1S(=O)(=O)C(F)(F)F ZINC000087405798 185223974 /nfs/dbraw/zinc/22/39/74/185223974.db2.gz IPXDWQCCNQWFKE-SNVBAGLBSA-N 1 0 310.341 2.375 10 0 DEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)c1snnc1C(C)(C)C ZINC000087456066 185225576 /nfs/dbraw/zinc/22/55/76/185225576.db2.gz NFOPHUHKSXQDKQ-LLVKDONJSA-N 1 0 310.467 2.440 10 0 DEAERO CC(C)(C)c1nnsc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000087456782 185225960 /nfs/dbraw/zinc/22/59/60/185225960.db2.gz SSYDHJPAAGVALH-SECBINFHSA-N 1 0 307.423 2.428 10 0 DEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)C1(OC)CCOCC1 ZINC000165449706 197675782 /nfs/dbraw/zinc/67/57/82/197675782.db2.gz AWNWWZSHCVSACY-ZDUSSCGKSA-N 1 0 315.845 2.191 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000087519135 185227494 /nfs/dbraw/zinc/22/74/94/185227494.db2.gz HHNMISOSUPIEGY-PWSUYJOCSA-N 1 0 313.239 2.481 10 0 DEAERO C[C@@]1(C(=O)NCc2sccc2Br)CCC[NH2+]1 ZINC000087575689 185228826 /nfs/dbraw/zinc/22/88/26/185228826.db2.gz JLINSUZCQHOEGL-NSHDSACASA-N 1 0 303.225 2.269 10 0 DEAERO CCC(CC)CN(CC(=O)OC)C(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087628052 185229426 /nfs/dbraw/zinc/22/94/26/185229426.db2.gz DADODRHFWCQGKU-UHFFFAOYSA-N 1 0 300.443 2.188 10 0 DEAERO CCCn1c(Sc2cc(Cl)ccc2CC[NH3+])n[nH]c1=O ZINC000165500656 197676536 /nfs/dbraw/zinc/67/65/36/197676536.db2.gz ARQAWBINFBSUAJ-UHFFFAOYSA-N 1 0 312.826 2.287 10 0 DEAERO CCOC(=O)COC[C@H]([NH3+])c1sc(C)cc1Br ZINC000087646364 185229713 /nfs/dbraw/zinc/22/97/13/185229713.db2.gz CRYADHRKMSCJOW-VIFPVBQESA-N 1 0 322.224 2.399 10 0 DEAERO CC1(C)CCCN(S(=O)(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000087658371 185229771 /nfs/dbraw/zinc/22/97/71/185229771.db2.gz OXNMGCWHFIOWCA-CQSZACIVSA-N 1 0 302.484 2.361 10 0 DEAERO COC(=O)CCN(CC(C)C)C(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087696518 185230688 /nfs/dbraw/zinc/23/06/88/185230688.db2.gz IANCCLMSKKBLTL-UONOGXRCSA-N 1 0 300.443 2.188 10 0 DEAERO Cc1nnc(SCc2cn3cc(Cl)ccc3n2)n1CC[NH3+] ZINC000087711492 185230954 /nfs/dbraw/zinc/23/09/54/185230954.db2.gz YZWTUZSRVZYDID-UHFFFAOYSA-N 1 0 322.825 2.139 10 0 DEAERO [NH3+]Cc1ccccc1CS(=O)(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000087768822 185231575 /nfs/dbraw/zinc/23/15/75/185231575.db2.gz AHODQNHQTWHAEU-CJNGLKHVSA-N 1 0 308.447 2.240 10 0 DEAERO C[C@@H]1CC[C@@H](C)N(c2nc(NN)[nH+]cc2Br)C1 ZINC000087889637 185234588 /nfs/dbraw/zinc/23/45/88/185234588.db2.gz MGXONMAFPXNSOV-HTQZYQBOSA-N 1 0 300.204 2.150 10 0 DEAERO Cc1nc(Oc2cncc(Br)c2)c(C)c(NN)[nH+]1 ZINC000087890589 185234673 /nfs/dbraw/zinc/23/46/73/185234673.db2.gz FNGOYUWLATVQSM-UHFFFAOYSA-N 1 0 310.155 2.329 10 0 DEAERO C[C@H](C[NH3+])CS(=O)(=O)Cc1sccc1Br ZINC000088090365 185239541 /nfs/dbraw/zinc/23/95/41/185239541.db2.gz SWYGSCUOOUZOSQ-SSDOTTSWSA-N 1 0 312.254 2.020 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@]1(C[NH3+])Nc1cccc(Cl)c1 ZINC000087913634 185237300 /nfs/dbraw/zinc/23/73/00/185237300.db2.gz QFVUFGOXGZMESE-OLZOCXBDSA-N 1 0 302.827 2.047 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@@]1(C[NH3+])Nc1ccccc1Cl ZINC000087915970 185237320 /nfs/dbraw/zinc/23/73/20/185237320.db2.gz DYQIUKZHOARAMY-STQMWFEESA-N 1 0 302.827 2.047 10 0 DEAERO [NH3+]C[C@@H](NC[C@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000087928678 185237731 /nfs/dbraw/zinc/23/77/31/185237731.db2.gz PKFASDAXLFNYDK-CHWSQXEVSA-N 1 0 304.312 2.354 10 0 DEAERO O=S(=O)(Nc1ccccc1-c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000088056074 185238436 /nfs/dbraw/zinc/23/84/36/185238436.db2.gz BTCLUHKEBSXGBL-AWEZNQCLSA-N 1 0 302.399 2.457 10 0 DEAERO COc1cc(C)c(Br)cc1[C@@H]([NH3+])[C@@H]1COCCO1 ZINC000088078061 185238841 /nfs/dbraw/zinc/23/88/41/185238841.db2.gz XYGGRDMZEWWWLS-QWHCGFSZSA-N 1 0 316.195 2.181 10 0 DEAERO Nc1nc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2s1 ZINC000087847166 185233502 /nfs/dbraw/zinc/23/35/02/185233502.db2.gz CRBKWAGCQSGGFH-UHFFFAOYSA-N 1 0 304.419 2.094 10 0 DEAERO CN(Cc1ccccc1)c1nc(NN)[nH+]cc1Br ZINC000087881213 185234346 /nfs/dbraw/zinc/23/43/46/185234346.db2.gz DIOKXXJEMJIPMY-UHFFFAOYSA-N 1 0 308.183 2.161 10 0 DEAERO CC1(C)C[NH2+]CCN1CC(=O)N1CCC[C@H]1c1cccs1 ZINC000088139987 185240715 /nfs/dbraw/zinc/24/07/15/185240715.db2.gz XXMQOMQMIJKDEG-ZDUSSCGKSA-N 1 0 307.463 2.095 10 0 DEAERO O=S(=O)(C[C@H]1CCC[NH2+]1)Nc1c(Cl)cccc1Cl ZINC000088171776 185241098 /nfs/dbraw/zinc/24/10/98/185241098.db2.gz DZANGNVEZZMTBI-MRVPVSSYSA-N 1 0 309.218 2.487 10 0 DEAERO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000189649472 529560928 /nfs/dbraw/zinc/56/09/28/529560928.db2.gz WTUJWTALHAQUKV-JSGCOSHPSA-N 1 0 322.371 2.024 10 0 DEAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)N1CCCCc2ccccc21 ZINC000088337525 185246422 /nfs/dbraw/zinc/24/64/22/185246422.db2.gz QJNXXDRSXKYOOT-OAHLLOKOSA-N 1 0 308.447 2.301 10 0 DEAERO CCc1cccc(CC)c1NC(=O)C[N@H+](C)C[C@H](C)C(=O)NC ZINC000176377385 282198207 /nfs/dbraw/zinc/19/82/07/282198207.db2.gz FPIVTXKHCGVGTD-ZDUSSCGKSA-N 1 0 319.449 2.064 10 0 DEAERO CCc1cccc(CC)c1NC(=O)C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000176377371 282198247 /nfs/dbraw/zinc/19/82/47/282198247.db2.gz FPIVTXKHCGVGTD-CYBMUJFWSA-N 1 0 319.449 2.064 10 0 DEAERO CC[C@H](C[NH3+])S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000088472436 185252233 /nfs/dbraw/zinc/25/22/33/185252233.db2.gz RQAXDSIQPKCHHK-MRXNPFEDSA-N 1 0 310.463 2.008 10 0 DEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)CCC(F)(F)F)NC1CC1 ZINC000088434617 185249933 /nfs/dbraw/zinc/24/99/33/185249933.db2.gz VZVFUUUMQRDBMV-CYBMUJFWSA-N 1 0 310.360 2.335 10 0 DEAERO [NH3+][C@](CO)(CN1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000088439627 185250662 /nfs/dbraw/zinc/25/06/62/185250662.db2.gz WXICJBTWNPPIBE-KBPBESRZSA-N 1 0 302.340 2.107 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[C@@H](C)C2)o1 ZINC000088544163 185256803 /nfs/dbraw/zinc/25/68/03/185256803.db2.gz CRGGIRSNMPHHPX-VXGBXAGGSA-N 1 0 300.424 2.198 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)o1 ZINC000088543500 185256876 /nfs/dbraw/zinc/25/68/76/185256876.db2.gz ZSHGKLIRROXAKE-LBPRGKRZSA-N 1 0 300.424 2.198 10 0 DEAERO CC(C)C[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)C(C)C)o1 ZINC000088541823 185255873 /nfs/dbraw/zinc/25/58/73/185255873.db2.gz NITOUYMDEPSYEX-LBPRGKRZSA-N 1 0 302.440 2.348 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2C)o1 ZINC000088541011 185255993 /nfs/dbraw/zinc/25/59/93/185255993.db2.gz DOTPCDUUJKIKJJ-DGCLKSJQSA-N 1 0 300.424 2.246 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](CC)C(C)C)o1 ZINC000088542960 185256062 /nfs/dbraw/zinc/25/60/62/185256062.db2.gz CANMAWHFVVQUME-ZDUSSCGKSA-N 1 0 302.440 2.492 10 0 DEAERO CC[NH2+]Cc1c(-n2nc(CC)nc2CC)nc2sccn12 ZINC000088742414 185263815 /nfs/dbraw/zinc/26/38/15/185263815.db2.gz CDBAJUIFWNREKV-UHFFFAOYSA-N 1 0 304.423 2.211 10 0 DEAERO C[NH2+][C@@H](C)[C@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000081982670 192349365 /nfs/dbraw/zinc/34/93/65/192349365.db2.gz DJCBZUIQSFGMRZ-IUCAKERBSA-N 1 0 306.225 2.219 10 0 DEAERO CC(C)c1ccc([C@@H]([NH3+])CS(=O)(=O)C2CCOCC2)cc1 ZINC000081989541 192351221 /nfs/dbraw/zinc/35/12/21/192351221.db2.gz NIQXHUFNIHPQFQ-INIZCTEOSA-N 1 0 311.447 2.404 10 0 DEAERO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCOCC1 ZINC000151260791 299088367 /nfs/dbraw/zinc/08/83/67/299088367.db2.gz OWUMXKMEFMJUFF-DOTOQJQBSA-N 1 0 323.481 2.461 10 0 DEAERO [NH3+][C@H](C[S@@](=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000082001211 192352938 /nfs/dbraw/zinc/35/29/38/192352938.db2.gz KHSQXXOSPLWHSI-SZNDQCEHSA-N 1 0 303.383 2.265 10 0 DEAERO COC(OC)[C@@](C)(C[NH3+])Nc1cccc(Br)c1 ZINC000090266748 185288339 /nfs/dbraw/zinc/28/83/39/185288339.db2.gz GPGIMSPEUSFZIR-GFCCVEGCSA-N 1 0 303.200 2.197 10 0 DEAERO C[C@@](O)(CO)C[NH2+][C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000090285198 185289243 /nfs/dbraw/zinc/28/92/43/185289243.db2.gz XFFOIXZDJRQTQR-AAEUAGOBSA-N 1 0 306.189 2.150 10 0 DEAERO CCCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000090292966 185289498 /nfs/dbraw/zinc/28/94/98/185289498.db2.gz KWFXRZKZBYMCQX-UHFFFAOYSA-N 1 0 300.324 2.458 10 0 DEAERO C[C@@H](c1ccc(Br)cc1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306483 185290310 /nfs/dbraw/zinc/29/03/10/185290310.db2.gz KOEJJRJYSXMOHS-LBPRGKRZSA-N 1 0 324.266 2.100 10 0 DEAERO COc1ccc([C@@H](C)NS(=O)(=O)CCC[NH2+]C(C)C)cc1 ZINC000090310748 185290461 /nfs/dbraw/zinc/29/04/61/185290461.db2.gz AFXCLNRRSDVUJA-CYBMUJFWSA-N 1 0 314.451 2.064 10 0 DEAERO Cc1c(Br)cccc1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C ZINC000090325627 185291128 /nfs/dbraw/zinc/29/11/28/185291128.db2.gz MOPVOMWRKAYYEI-GVXVVHGQSA-N 1 0 323.234 2.437 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Cl)cc1OC ZINC000090330856 185291292 /nfs/dbraw/zinc/29/12/92/185291292.db2.gz CFOWEVGJASZVTD-DDTOSNHZSA-N 1 0 308.809 2.419 10 0 DEAERO CCCSc1nsc(NC(=O)CS[C@@H](C)C[NH3+])n1 ZINC000090342181 185292092 /nfs/dbraw/zinc/29/20/92/185292092.db2.gz ARYWSZIZRIDCTO-ZETCQYMHSA-N 1 0 306.482 2.059 10 0 DEAERO C[C@@H](C[NH3+])CSCC(=O)NCCc1cccc(Cl)c1 ZINC000090350776 185292110 /nfs/dbraw/zinc/29/21/10/185292110.db2.gz RBINTEVVBJTLCY-NSHDSACASA-N 1 0 300.855 2.327 10 0 DEAERO CCCSc1nsc(NC(=O)CS[C@@H](C)CC[NH3+])n1 ZINC000090354692 185292321 /nfs/dbraw/zinc/29/23/21/185292321.db2.gz LOHNQJSBTUBMNW-QMMMGPOBSA-N 1 0 320.509 2.449 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000090379821 185293601 /nfs/dbraw/zinc/29/36/01/185293601.db2.gz UGHDQSIRUPYDLE-YUMQZZPRSA-N 1 0 306.309 2.211 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000090435294 185296234 /nfs/dbraw/zinc/29/62/34/185296234.db2.gz GGFPMKRSCFOZFI-STQMWFEESA-N 1 0 317.216 2.186 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1CN(C)Cc1cccc(Br)c1 ZINC000090438774 185296499 /nfs/dbraw/zinc/29/64/99/185296499.db2.gz KAFPWTDLBRROKE-JSGCOSHPSA-N 1 0 313.239 2.115 10 0 DEAERO CSc1nc2ccc(NC(=O)[C@@]3(C)COC[C@H]3[NH3+])cc2s1 ZINC000090586070 185305218 /nfs/dbraw/zinc/30/52/18/185305218.db2.gz ADNVPOAWGCJTJV-RISCZKNCSA-N 1 0 323.443 2.321 10 0 DEAERO Cc1ccc(Br)cc1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090588840 185305393 /nfs/dbraw/zinc/30/53/93/185305393.db2.gz WTVOATUVHSNKHZ-AAEUAGOBSA-N 1 0 313.195 2.060 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090589950 185305440 /nfs/dbraw/zinc/30/54/40/185305440.db2.gz DSARACRUQUVKLX-HIFRSBDPSA-N 1 0 312.797 2.431 10 0 DEAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090590400 185305578 /nfs/dbraw/zinc/30/55/78/185305578.db2.gz PZBWAJLGHVLQKU-BXUZGUMPSA-N 1 0 317.216 2.316 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000090538535 185301554 /nfs/dbraw/zinc/30/15/54/185301554.db2.gz YJRRRBVOHCUAPZ-AAEUAGOBSA-N 1 0 312.797 2.302 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000090543462 185302145 /nfs/dbraw/zinc/30/21/45/185302145.db2.gz CGIHDSYKVRRKQV-CABCVRRESA-N 1 0 310.825 2.013 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(OC)ccc1Cl ZINC000090544067 185302186 /nfs/dbraw/zinc/30/21/86/185302186.db2.gz GCYYPKRNFAYYNS-SMDDNHRTSA-N 1 0 312.797 2.302 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)C2CCC(C(=O)OC)CC2)CC1 ZINC000179511963 282227414 /nfs/dbraw/zinc/22/74/14/282227414.db2.gz ROSVHEHNSBEWGP-UHFFFAOYSA-N 1 0 324.465 2.204 10 0 DEAERO COc1ccc(Br)c(C[S@@](=O)CC(C)(C)[NH3+])c1 ZINC000166659149 197695494 /nfs/dbraw/zinc/69/54/94/197695494.db2.gz YAZRNHDJQMMAJC-KRWDZBQOSA-N 1 0 320.252 2.444 10 0 DEAERO C[C@@H]([NH3+])CCS(=O)(=O)Cc1cc(Br)ccc1F ZINC000166893488 197700189 /nfs/dbraw/zinc/70/01/89/197700189.db2.gz QETZNNUZHVSNEJ-MRVPVSSYSA-N 1 0 324.215 2.240 10 0 DEAERO Brc1cncnc1N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000090782626 185311809 /nfs/dbraw/zinc/31/18/09/185311809.db2.gz QYDYUWOMSGYSAV-LLVKDONJSA-N 1 0 311.227 2.350 10 0 DEAERO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000090666086 185308453 /nfs/dbraw/zinc/30/84/53/185308453.db2.gz HCPSTTLTUIZAEG-SNVBAGLBSA-N 1 0 320.359 2.176 10 0 DEAERO COC(=O)C1CCC(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000179904328 282234192 /nfs/dbraw/zinc/23/41/92/282234192.db2.gz WVDVBRODRAGIJU-UHFFFAOYSA-N 1 0 324.465 2.204 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCc1ccn(C2CCCC2)n1 ZINC000183990794 282245133 /nfs/dbraw/zinc/24/51/33/282245133.db2.gz NSVTXGZNROLDMK-UHFFFAOYSA-N 1 0 313.405 2.389 10 0 DEAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C1(C(N)=S)CCCCCC1 ZINC000092631729 185330188 /nfs/dbraw/zinc/33/01/88/185330188.db2.gz CUIXROXGDJBUFX-CYBMUJFWSA-N 1 0 311.495 2.166 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(F)ccc1C(N)=S ZINC000092629065 185330512 /nfs/dbraw/zinc/33/05/12/185330512.db2.gz PJNMUWNXZPVBNA-AWEZNQCLSA-N 1 0 309.454 2.376 10 0 DEAERO Cc1nn(C)c(Cl)c1C[C@@](C[NH3+])(c1ccccc1)[C@@H](C)O ZINC000167783708 197713885 /nfs/dbraw/zinc/71/38/85/197713885.db2.gz CTSZZPALRGXWAH-WBMJQRKESA-N 1 0 307.825 2.202 10 0 DEAERO CSC[C@H](C)N(C)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000167723185 197713395 /nfs/dbraw/zinc/71/33/95/197713395.db2.gz IIXKEHIJJPYXIT-WDEREUQCSA-N 1 0 302.465 2.078 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000185449223 282262620 /nfs/dbraw/zinc/26/26/20/282262620.db2.gz CQTYIURYWUCQKC-GJZGRUSLSA-N 1 0 315.502 2.401 10 0 DEAERO CC(C)n1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1C[NH3+] ZINC000092833242 185344785 /nfs/dbraw/zinc/34/47/85/185344785.db2.gz XPYDJMJCHOENIN-UHFFFAOYSA-N 1 0 313.467 2.241 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)NC2CC[NH+](C(C)C)CC2)no1 ZINC000442495517 529712063 /nfs/dbraw/zinc/71/20/63/529712063.db2.gz QNPYDBVDKJZFIN-UHFFFAOYSA-N 1 0 323.441 2.039 10 0 DEAERO COc1ccc(NC(=O)[C@H]2CC[NH2+][C@H]2C)cc1OC(F)F ZINC000092953030 185350281 /nfs/dbraw/zinc/35/02/81/185350281.db2.gz MWVNHYWGIHYQLV-WPRPVWTQSA-N 1 0 300.305 2.233 10 0 DEAERO C[C@@]1(C(=O)Cc2ccc(Br)cc2F)COC[C@@H]1[NH3+] ZINC000168501630 197723914 /nfs/dbraw/zinc/72/39/14/197723914.db2.gz PPQOMIUOAJECAS-WCQYABFASA-N 1 0 316.170 2.064 10 0 DEAERO COC[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(F)c(F)c1 ZINC000181445008 199297722 /nfs/dbraw/zinc/29/77/22/199297722.db2.gz ORFWZVDVNZDUCX-DOMZBBRYSA-N 1 0 317.376 2.418 10 0 DEAERO Cc1cc(C)c(CNc2cnn(C[C@@H](O)C[NH+](C)C)c2)c(C)c1 ZINC000095455340 185369696 /nfs/dbraw/zinc/36/96/96/185369696.db2.gz KXJPTYHVLNNBNB-KRWDZBQOSA-N 1 0 316.449 2.343 10 0 DEAERO CCc1ncc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)s1 ZINC000037924450 539335928 /nfs/dbraw/zinc/33/59/28/539335928.db2.gz ZFUJHIPYWLSVSR-GFCCVEGCSA-N 1 0 303.435 2.254 10 0 DEAERO Cc1cc(C)c(CNc2cnn(C[C@H](O)C[NH+](C)C)c2)c(C)c1 ZINC000095455339 185369814 /nfs/dbraw/zinc/36/98/14/185369814.db2.gz KXJPTYHVLNNBNB-QGZVFWFLSA-N 1 0 316.449 2.343 10 0 DEAERO C[C@@]1(c2cncn2-c2ccc(Br)cn2)CC[NH2+]C1 ZINC000097014097 185397206 /nfs/dbraw/zinc/39/72/06/185397206.db2.gz HJUIZFDGKWZEBI-CYBMUJFWSA-N 1 0 307.195 2.281 10 0 DEAERO CC(C)[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000181610349 199327035 /nfs/dbraw/zinc/32/70/35/199327035.db2.gz JFUYLERSKBRIGG-INIZCTEOSA-N 1 0 312.360 2.110 10 0 DEAERO Clc1ccc(Br)cc1OC[C@@H]1C[NH2+]CCO1 ZINC000070834207 539345698 /nfs/dbraw/zinc/34/56/98/539345698.db2.gz BZJFBUIRGLZAAK-VIFPVBQESA-N 1 0 306.587 2.470 10 0 DEAERO O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N1CCC([NH2+]CC2CC2)CC1 ZINC000333577379 282961984 /nfs/dbraw/zinc/96/19/84/282961984.db2.gz NEAXVDCNAPTZKT-BBWFWOEESA-N 1 0 321.465 2.118 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1C ZINC000190342214 282318598 /nfs/dbraw/zinc/31/85/98/282318598.db2.gz IGVIQGWWWYWDGP-LSDHHAIUSA-N 1 0 315.417 2.019 10 0 DEAERO C[C@H]1CSCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000190438251 282320807 /nfs/dbraw/zinc/32/08/07/282320807.db2.gz KSYOQGNPICJQFY-NEPJUHHUSA-N 1 0 324.412 2.472 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000193418372 282350529 /nfs/dbraw/zinc/35/05/29/282350529.db2.gz HKAISQUQMBXLGA-QPUJVOFHSA-N 1 0 323.245 2.270 10 0 DEAERO C[C@@H](O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000085989298 539401620 /nfs/dbraw/zinc/40/16/20/539401620.db2.gz LBMWBWUDAMDDSV-KOLCDFICSA-N 1 0 308.205 2.094 10 0 DEAERO CN(Cc1cncs1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328656375 530017186 /nfs/dbraw/zinc/01/71/86/530017186.db2.gz ZGVPRSRZOSKHCD-XJKSGUPXSA-N 1 0 319.478 2.392 10 0 DEAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246432505 534985432 /nfs/dbraw/zinc/98/54/32/534985432.db2.gz DGFAWDMQHLCCNJ-RBSFLKMASA-N 1 0 311.422 2.344 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCC2(C)COC2)C1 ZINC000112717797 539441603 /nfs/dbraw/zinc/44/16/03/539441603.db2.gz ZOYKZGRHEYWNPB-ZIAGYGMSSA-N 1 0 311.470 2.079 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CCc2ccccc21 ZINC000245417758 282385872 /nfs/dbraw/zinc/38/58/72/282385872.db2.gz GGLBXAXADKQFAV-SJORKVTESA-N 1 0 313.445 2.134 10 0 DEAERO CC[C@@H](C)CS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245496993 282391969 /nfs/dbraw/zinc/39/19/69/282391969.db2.gz SODSJGFNQKDIBY-KFWWJZLASA-N 1 0 302.484 2.309 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000245500571 282392316 /nfs/dbraw/zinc/39/23/16/282392316.db2.gz AQTJMPXWNJOMJH-RRCSTGOVSA-N 1 0 309.454 2.211 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000245500572 282392356 /nfs/dbraw/zinc/39/23/56/282392356.db2.gz AQTJMPXWNJOMJH-WMHQRMGPSA-N 1 0 309.454 2.211 10 0 DEAERO CC[C@@H](C(N)=O)[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111307303 185578915 /nfs/dbraw/zinc/57/89/15/185578915.db2.gz KGPDFCGTUIOPLY-INIZCTEOSA-N 1 0 301.434 2.025 10 0 DEAERO CC[C@H]([NH3+])Cc1ccc(SCCS(C)(=O)=O)c(F)c1 ZINC000111578814 185614483 /nfs/dbraw/zinc/61/44/83/185614483.db2.gz SDFJKDSIEQDITO-NSHDSACASA-N 1 0 305.440 2.242 10 0 DEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1 ZINC000111715506 185629785 /nfs/dbraw/zinc/62/97/85/185629785.db2.gz NUNURJXBEQJYCN-DOMZBBRYSA-N 1 0 314.426 2.367 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000111715978 185630191 /nfs/dbraw/zinc/63/01/91/185630191.db2.gz OXORHJHRICKEBD-QWRGUYRKSA-N 1 0 318.389 2.247 10 0 DEAERO C[C@@H](C(=O)N1C[C@@H](c2ccccc2)OCC1(C)C)C1C[NH2+]C1 ZINC000262275080 295753152 /nfs/dbraw/zinc/75/31/52/295753152.db2.gz WHCPLGVGASVQKP-CJNGLKHVSA-N 1 0 302.418 2.221 10 0 DEAERO COc1ccc(C[N@@H+]2CCCN(Cc3cncnc3)CC2)cc1 ZINC000156852260 539567046 /nfs/dbraw/zinc/56/70/46/539567046.db2.gz RCZWKOMVUPOCPT-UHFFFAOYSA-N 1 0 312.417 2.193 10 0 DEAERO NC(=O)N1CCC([NH2+]CCc2ccc(C(F)(F)F)cc2)CC1 ZINC000156876683 539567546 /nfs/dbraw/zinc/56/75/46/539567546.db2.gz QKAICOCRBYTKAR-UHFFFAOYSA-N 1 0 315.339 2.381 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)NCc1cccc(OCCOC)c1 ZINC000236684442 201963889 /nfs/dbraw/zinc/96/38/89/201963889.db2.gz BVIYKVZSKNBRJG-UHFFFAOYSA-N 1 0 308.422 2.093 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(NC(=O)C(C)(C)S(C)(=O)=O)cc1 ZINC000070127955 190859948 /nfs/dbraw/zinc/85/99/48/190859948.db2.gz ZMWOVIGBIVLSOD-LLVKDONJSA-N 1 0 312.435 2.119 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c(C)s1 ZINC000070188082 190869396 /nfs/dbraw/zinc/86/93/96/190869396.db2.gz KRFSFZSMMKJFSL-UHFFFAOYSA-N 1 0 302.465 2.114 10 0 DEAERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)c1ccc(Br)o1 ZINC000070180127 190868472 /nfs/dbraw/zinc/86/84/72/190868472.db2.gz NIBYVFUYGSLFNQ-IUCAKERBSA-N 1 0 301.184 2.242 10 0 DEAERO CC(C)(C)OC(=O)NCC[C@H]1CNc2ccccc2N1CC[NH3+] ZINC000616584239 362894200 /nfs/dbraw/zinc/89/42/00/362894200.db2.gz JUHLHGLTKUCTNF-ZDUSSCGKSA-N 1 0 320.437 2.161 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](c2cccc(CO)c2)C1 ZINC000616611161 362897621 /nfs/dbraw/zinc/89/76/21/362897621.db2.gz ATRKCWVBIYTPQO-INIZCTEOSA-N 1 0 320.433 2.493 10 0 DEAERO CC(C)(C)OC(=O)Nc1ccc([C@H]2C[NH2+]CCN2C(N)=O)cc1 ZINC000616638067 362901589 /nfs/dbraw/zinc/90/15/89/362901589.db2.gz GBQMPOCAPPCSFV-CYBMUJFWSA-N 1 0 320.393 2.059 10 0 DEAERO CC(C)(C)c1noc(-c2ccc(N3CCC([NH3+])CC3)nc2)n1 ZINC000070457803 190897545 /nfs/dbraw/zinc/89/75/45/190897545.db2.gz HDMWERBSELKBFT-UHFFFAOYSA-N 1 0 301.394 2.357 10 0 DEAERO Cc1nn(C)c(C)c1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000180372813 539645184 /nfs/dbraw/zinc/64/51/84/539645184.db2.gz QJCZKJQTGQTVLP-MRXNPFEDSA-N 1 0 320.481 2.350 10 0 DEAERO O=C(CC[NH2+]Cc1cccc2cnccc21)NCc1cccnc1 ZINC000181505626 539652067 /nfs/dbraw/zinc/65/20/67/539652067.db2.gz TZPLLVMGDWTHSR-UHFFFAOYSA-N 1 0 320.396 2.426 10 0 DEAERO Cc1ccc(-n2nncc2CN2CCC[NH2+]CC2)cc1Cl ZINC000070461048 190899259 /nfs/dbraw/zinc/89/92/59/190899259.db2.gz RSVFJWCYWHLDBO-UHFFFAOYSA-N 1 0 305.813 2.024 10 0 DEAERO CCC[C@@H](C)C[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000181113478 539650086 /nfs/dbraw/zinc/65/00/86/539650086.db2.gz MCFBDRVOWLDTKV-CQSZACIVSA-N 1 0 304.500 2.462 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2cnn(C)c2)cc1F ZINC000181348020 539651049 /nfs/dbraw/zinc/65/10/49/539651049.db2.gz ZBVMQHGWHNGLSU-ZDUSSCGKSA-N 1 0 318.396 2.177 10 0 DEAERO C[NH2+][C@@H](c1cccc2c1OC(C)(C)C2)[C@H]1CCS(=O)(=O)C1 ZINC000080507490 192163355 /nfs/dbraw/zinc/16/33/55/192163355.db2.gz YZLNFPCBGVIACZ-GXTWGEPZSA-N 1 0 309.431 2.095 10 0 DEAERO C[C@@H]1CCC[C@H](CCNS(=O)(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000070549758 190906101 /nfs/dbraw/zinc/90/61/01/190906101.db2.gz DCWIYYQGAJEHIL-RBSFLKMASA-N 1 0 302.484 2.122 10 0 DEAERO [NH3+]C1CN(CCOc2ccc(Cl)cc2Br)C1 ZINC000083636146 192376185 /nfs/dbraw/zinc/37/61/85/192376185.db2.gz KFJMBQJZOLFPOF-UHFFFAOYSA-N 1 0 305.603 2.124 10 0 DEAERO O=C(CCc1c[nH]cn1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000188895421 539684717 /nfs/dbraw/zinc/68/47/17/539684717.db2.gz WWNKDOJGDXVKEP-UHFFFAOYSA-N 1 0 312.417 2.255 10 0 DEAERO C[C@@H]1CC[C@H](C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)O1 ZINC000190524971 539695738 /nfs/dbraw/zinc/69/57/38/539695738.db2.gz OPOIHNNXRAFFAX-NVXWUHKLSA-N 1 0 320.481 2.323 10 0 DEAERO Cc1noc(C)c1CCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130335346 185957612 /nfs/dbraw/zinc/95/76/12/185957612.db2.gz WFUXWBWBXNRACH-UHFFFAOYSA-N 1 0 307.438 2.461 10 0 DEAERO CCN(Cc1nc2sc(C)c(C)c2c(N)n1)[C@H]1CC[NH2+]C1 ZINC000071313287 190956475 /nfs/dbraw/zinc/95/64/75/190956475.db2.gz ORUPPFDEHLBLTF-NSHDSACASA-N 1 0 305.451 2.074 10 0 DEAERO C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCC([NH+](C)C)CC1 ZINC000193822276 539715433 /nfs/dbraw/zinc/71/54/33/539715433.db2.gz DSHWDUQVZPBTMX-LLVKDONJSA-N 1 0 311.376 2.318 10 0 DEAERO [NH3+][C@H](Cc1ccc(I)cc1)[C@H]1CCOC1 ZINC000083850953 192386793 /nfs/dbraw/zinc/38/67/93/192386793.db2.gz SMDPUFZEKZWZOO-CMPLNLGQSA-N 1 0 317.170 2.198 10 0 DEAERO COc1ccc([S@](=O)[C@@H]2COc3ccccc3[C@@H]2[NH3+])cc1 ZINC000084002453 192395501 /nfs/dbraw/zinc/39/55/01/192395501.db2.gz MHCPAAFUAXCHCV-VWKPWSFCSA-N 1 0 303.383 2.264 10 0 DEAERO CCCC[S@@](=O)[C@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000084038483 192396248 /nfs/dbraw/zinc/39/62/48/192396248.db2.gz FSLUTAXUVNQYIR-YRVVQQKDSA-N 1 0 303.468 2.199 10 0 DEAERO CCC[NH2+][C@@H](C[S@](=O)CCOC)c1cc(C)ccc1OC ZINC000084036269 192396617 /nfs/dbraw/zinc/39/66/17/192396617.db2.gz GMGWRWOTMQSXRY-BTYIYWSLSA-N 1 0 313.463 2.439 10 0 DEAERO COC(=O)C[C@H](NC(=O)CC1([NH3+])CCCC1)c1cccs1 ZINC000084167642 192409361 /nfs/dbraw/zinc/40/93/61/192409361.db2.gz HOACTZNRZKEXBT-NSHDSACASA-N 1 0 310.419 2.130 10 0 DEAERO CC[C@@H](C)NC(=O)Cn1c2ccc(F)cc2nc1[C@@H]([NH3+])CC ZINC000071664539 191001258 /nfs/dbraw/zinc/00/12/58/191001258.db2.gz MQHOQMSICLOLSB-PWSUYJOCSA-N 1 0 306.385 2.500 10 0 DEAERO CC[C@H](C)NC(=O)Cn1c(CC[NH2+]C)nc2cc(C)ccc21 ZINC000071667013 191001643 /nfs/dbraw/zinc/00/16/43/191001643.db2.gz KQBAPOXTHCWTBO-ZDUSSCGKSA-N 1 0 302.422 2.021 10 0 DEAERO COc1cccc2c1CN(Cc1ccc3c(c1)OCO3)[C@H]2C[NH3+] ZINC000071683157 191006973 /nfs/dbraw/zinc/00/69/73/191006973.db2.gz MVXYVOJOTXUCMC-HNNXBMFYSA-N 1 0 312.369 2.440 10 0 DEAERO Cn1cc(CN2Cc3c(cccc3C(F)(F)F)[C@@H]2C[NH3+])cn1 ZINC000071684183 191007911 /nfs/dbraw/zinc/00/79/11/191007911.db2.gz AWDKNRSZGTYMOE-AWEZNQCLSA-N 1 0 310.323 2.455 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000291663588 404469001 /nfs/dbraw/zinc/46/90/01/404469001.db2.gz FKSLWNBMVIKCFF-KURKYZTESA-N 1 0 324.428 2.374 10 0 DEAERO Clc1ccc2nc(N3CCC([NH2+]CC4CC4)CC3)nn2c1 ZINC000133699820 186008195 /nfs/dbraw/zinc/00/81/95/186008195.db2.gz ZIESDHUBXFVCLD-UHFFFAOYSA-N 1 0 305.813 2.351 10 0 DEAERO Cc1ccc([C@@H]2N[C@@H](C)C(=O)N2CC(C)(C)C[NH+](C)C)s1 ZINC000138201924 186015127 /nfs/dbraw/zinc/01/51/27/186015127.db2.gz FHFVTGZSGKFUIG-GXTWGEPZSA-N 1 0 309.479 2.463 10 0 DEAERO CC(C)[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000138245333 186015288 /nfs/dbraw/zinc/01/52/88/186015288.db2.gz HEHJGHKLJNNTQS-UHFFFAOYSA-N 1 0 318.389 2.247 10 0 DEAERO CCCN(C(C)C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138450698 186017066 /nfs/dbraw/zinc/01/70/66/186017066.db2.gz NQXIAEXVHCHYGX-UHFFFAOYSA-N 1 0 306.378 2.233 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(OC)cc1OCCCS(C)(=O)=O ZINC000138532404 186017837 /nfs/dbraw/zinc/01/78/37/186017837.db2.gz AWGKITHCQRASFO-GFCCVEGCSA-N 1 0 315.435 2.179 10 0 DEAERO CCC[C@H](C)N(C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138529532 186017872 /nfs/dbraw/zinc/01/78/72/186017872.db2.gz FZFWUJOPXKXEBC-JTQLQIEISA-N 1 0 320.405 2.493 10 0 DEAERO COc1cc(C[C@H]([NH3+])c2cccc(Br)c2)ncn1 ZINC000138645689 186018223 /nfs/dbraw/zinc/01/82/23/186018223.db2.gz OQXJZFHONXBZJN-LBPRGKRZSA-N 1 0 308.179 2.490 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c([C@H]3CCCCC[C@@H]3[NH3+])nc21 ZINC000138144388 186014048 /nfs/dbraw/zinc/01/40/48/186014048.db2.gz DPPHGFFUQMHOMU-QWRGUYRKSA-N 1 0 307.419 2.341 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139184958 186020014 /nfs/dbraw/zinc/02/00/14/186020014.db2.gz UFHQAZOYPDHJOO-SNVBAGLBSA-N 1 0 320.405 2.480 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2C[C@H](C)C[C@@H]2C)c1 ZINC000139345563 186021544 /nfs/dbraw/zinc/02/15/44/186021544.db2.gz AURUGNYINFCDLS-ZJUUUORDSA-N 1 0 318.389 2.103 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CC=CCC2)c1 ZINC000139351230 186021558 /nfs/dbraw/zinc/02/15/58/186021558.db2.gz IOFYFCXJSVURSZ-UHFFFAOYSA-N 1 0 316.373 2.025 10 0 DEAERO CCNS(=O)(=O)c1ccccc1Nc1ccc(C[NH3+])cc1 ZINC000139620897 186023331 /nfs/dbraw/zinc/02/33/31/186023331.db2.gz MEYCGZABUBFEMC-UHFFFAOYSA-N 1 0 305.403 2.187 10 0 DEAERO [NH3+][C@@H]1CC[C@H](c2nc(-c3ccc(Br)cn3)no2)C1 ZINC000139792806 186023686 /nfs/dbraw/zinc/02/36/86/186023686.db2.gz LXXJVYIYOPZFQF-IONNQARKSA-N 1 0 309.167 2.489 10 0 DEAERO CC/C=C/CC(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2O ZINC000072153283 191057327 /nfs/dbraw/zinc/05/73/27/191057327.db2.gz BTCJOUSWTBESRI-ZGQVYYGYSA-N 1 0 314.429 2.277 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1ccc(Br)cn1 ZINC000140189163 186026035 /nfs/dbraw/zinc/02/60/35/186026035.db2.gz AELRWRDLAIZMFS-SNVBAGLBSA-N 1 0 321.240 2.059 10 0 DEAERO CCCn1ncnc1C[C@H]([NH2+]C)c1ncccc1Br ZINC000140450499 186026804 /nfs/dbraw/zinc/02/68/04/186026804.db2.gz UFEOEEZSGURCOF-NSHDSACASA-N 1 0 324.226 2.349 10 0 DEAERO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC000140712117 186028559 /nfs/dbraw/zinc/02/85/59/186028559.db2.gz NXFWVGJQCPDSRN-HZSPNIEDSA-N 1 0 305.484 2.193 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2Cc3ccccc32)C1 ZINC000247288874 539768899 /nfs/dbraw/zinc/76/88/99/539768899.db2.gz KSCUQYAWOCRWBS-UNEWFSDZSA-N 1 0 301.434 2.354 10 0 DEAERO CC[C@]1(C)N[C@@H](c2cccs2)N(C2CC[NH+](C)CC2)C1=O ZINC000141203874 186029232 /nfs/dbraw/zinc/02/92/32/186029232.db2.gz ZBZNGZCJFSFGRS-ZBFHGGJFSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCCN1[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147718166 186041336 /nfs/dbraw/zinc/04/13/36/186041336.db2.gz KVDZVBCUKGFLSF-NWANDNLSSA-N 1 0 308.447 2.107 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NCCCCC(C)C)c(C)o1 ZINC000147916670 186042677 /nfs/dbraw/zinc/04/26/77/186042677.db2.gz NKVADZOMMPWMTF-UHFFFAOYSA-N 1 0 302.440 2.412 10 0 DEAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)NCCCCC(C)C ZINC000147915589 186042787 /nfs/dbraw/zinc/04/27/87/186042787.db2.gz HVFRLUMBKCYQTF-HNNXBMFYSA-N 1 0 319.515 2.111 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)NCC(F)F)cc1C[NH2+]C1CC1 ZINC000148167253 186043054 /nfs/dbraw/zinc/04/30/54/186043054.db2.gz JVEJIHPGVAQXMG-UHFFFAOYSA-N 1 0 318.389 2.099 10 0 DEAERO CCC[NH2+]CCCc1ccc(S(=O)(=O)NCC(F)F)cc1 ZINC000148165249 186043249 /nfs/dbraw/zinc/04/32/49/186043249.db2.gz YHCIWDQJLORVBG-UHFFFAOYSA-N 1 0 320.405 2.162 10 0 DEAERO CC[N@@H+]1CCC[C@H](N2C(=O)C3(CC3)N[C@H]2c2cccs2)C1 ZINC000144309985 186035231 /nfs/dbraw/zinc/03/52/31/186035231.db2.gz RXZPVNDDSDPQQH-GXTWGEPZSA-N 1 0 305.447 2.195 10 0 DEAERO CC[N@@H+]1CCC[C@H](N2C(=O)C3(CC3)N[C@H]2c2ccsc2)C1 ZINC000144278686 186035376 /nfs/dbraw/zinc/03/53/76/186035376.db2.gz XVCDTNKMYQAZSX-UONOGXRCSA-N 1 0 305.447 2.195 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)C2CCC2)c(F)c1 ZINC000144655433 186035761 /nfs/dbraw/zinc/03/57/61/186035761.db2.gz LAMXNXRVFMTYMQ-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO CC[NH+]1CCC(CN2C(=O)[C@H](C)N[C@H]2c2ccsc2)CC1 ZINC000145496710 186037303 /nfs/dbraw/zinc/03/73/03/186037303.db2.gz FIONYGWPORYUHN-SWLSCSKDSA-N 1 0 307.463 2.299 10 0 DEAERO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000148989799 186047226 /nfs/dbraw/zinc/04/72/26/186047226.db2.gz GJZKIMMKUHSSCS-CYBMUJFWSA-N 1 0 306.381 2.290 10 0 DEAERO CCCNc1nc(Cl)nc(N2CC[NH+]([C@H](C)CC)CC2)n1 ZINC000149149784 186047951 /nfs/dbraw/zinc/04/79/51/186047951.db2.gz IPTQTUGQRRRQAD-LLVKDONJSA-N 1 0 312.849 2.267 10 0 DEAERO C[C@H](CS(=O)(=O)N(C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000149261286 186048556 /nfs/dbraw/zinc/04/85/56/186048556.db2.gz ANKTYZZXXKWRAV-IUDNXUCKSA-N 1 0 310.463 2.322 10 0 DEAERO C[C@@H](CS(=O)(=O)N[C@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000149373303 186049416 /nfs/dbraw/zinc/04/94/16/186049416.db2.gz IFEULLDRHICFHR-UONOGXRCSA-N 1 0 310.463 2.098 10 0 DEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000149414105 186049813 /nfs/dbraw/zinc/04/98/13/186049813.db2.gz XXQWZROUCWRFKP-BXKDBHETSA-N 1 0 302.296 2.454 10 0 DEAERO [NH3+]CCN(C1CCCCC1)S(=O)(=O)CCc1ccccc1 ZINC000149589036 186051878 /nfs/dbraw/zinc/05/18/78/186051878.db2.gz MWJGHVOBGWGGDW-UHFFFAOYSA-N 1 0 310.463 2.152 10 0 DEAERO CCC[NH2+][C@@H](C)c1sc(C[C@@H]2CN(C)CCN2C)nc1C ZINC000149766043 186052539 /nfs/dbraw/zinc/05/25/39/186052539.db2.gz FQOZVTDDZUXSIL-GXTWGEPZSA-N 1 0 310.511 2.300 10 0 DEAERO CC1(C)CCC[C@H]([NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000149908089 186053376 /nfs/dbraw/zinc/05/33/76/186053376.db2.gz CMQSKLCABNSJRQ-KBPBESRZSA-N 1 0 302.484 2.216 10 0 DEAERO C[NH2+][C@@H](Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000150024184 186053924 /nfs/dbraw/zinc/05/39/24/186053924.db2.gz JICSHWGWAJLLOQ-QWRGUYRKSA-N 1 0 316.492 2.006 10 0 DEAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1nncn1C ZINC000150035774 186054288 /nfs/dbraw/zinc/05/42/88/186054288.db2.gz YDJQVAGUJNAOJP-UHFFFAOYSA-N 1 0 301.177 2.420 10 0 DEAERO CC1(C)CCC[C@@H](NS(=O)(=O)c2ccc(CC[NH3+])s2)C1 ZINC000150077678 186054563 /nfs/dbraw/zinc/05/45/63/186054563.db2.gz SVCAPWBSHUIOTE-LLVKDONJSA-N 1 0 316.492 2.496 10 0 DEAERO Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252419330 539784086 /nfs/dbraw/zinc/78/40/86/539784086.db2.gz ZBJONLVIMAGEHZ-GOEBONIOSA-N 1 0 308.447 2.148 10 0 DEAERO CC[C@H]1CCCCC[N@@H+]1CC(=O)NC(=O)NCc1ccco1 ZINC000150745082 186062547 /nfs/dbraw/zinc/06/25/47/186062547.db2.gz LFVCMXMWKHQLMJ-ZDUSSCGKSA-N 1 0 307.394 2.260 10 0 DEAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000488928345 535119565 /nfs/dbraw/zinc/11/95/65/535119565.db2.gz GIDPHJKQRKCTSP-KGLIPLIRSA-N 1 0 318.408 2.474 10 0 DEAERO CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333838477 282979285 /nfs/dbraw/zinc/97/92/85/282979285.db2.gz NUALBAZMDVRBML-LSDHHAIUSA-N 1 0 319.453 2.282 10 0 DEAERO c1cc(C[NH2+][C@@H]2CCCSC2)c(OC[C@@H]2CCOC2)cn1 ZINC000287134003 219336333 /nfs/dbraw/zinc/33/63/33/219336333.db2.gz AICOBCSAGXPZFK-UKRRQHHQSA-N 1 0 308.447 2.482 10 0 DEAERO CN(C(=O)Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000084748009 192465818 /nfs/dbraw/zinc/46/58/18/192465818.db2.gz AIKOXFXXJAIEBL-CYBMUJFWSA-N 1 0 311.223 2.202 10 0 DEAERO CCOc1cc(C(=O)NCC[N@H+](C)CCCOC)ccc1C ZINC000152436713 186072391 /nfs/dbraw/zinc/07/23/91/186072391.db2.gz VLCJBEWDESGSJC-UHFFFAOYSA-N 1 0 308.422 2.092 10 0 DEAERO C[S@@](=O)c1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000152611613 186089348 /nfs/dbraw/zinc/08/93/48/186089348.db2.gz DCOJSFGVZNYPLB-NJZVHVJYSA-N 1 0 306.431 2.283 10 0 DEAERO COc1ccc(CCC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1OC ZINC000155688878 186103307 /nfs/dbraw/zinc/10/33/07/186103307.db2.gz TYLPPMGMLCGXDL-KBPBESRZSA-N 1 0 320.433 2.187 10 0 DEAERO COCCn1ncc(Br)c1[C@](F)(C[NH3+])C(C)C ZINC000164026983 186146399 /nfs/dbraw/zinc/14/63/99/186146399.db2.gz GENXEHBUSQQVAZ-NSHDSACASA-N 1 0 308.195 2.072 10 0 DEAERO COCCn1ncc(Cl)c1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000164116002 186149066 /nfs/dbraw/zinc/14/90/66/186149066.db2.gz XGAJBNUXZFPBDE-CYBMUJFWSA-N 1 0 307.781 2.456 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)CC[S@](=O)c2ccccc2)cc1 ZINC000155906382 186121982 /nfs/dbraw/zinc/12/19/82/186121982.db2.gz IRSAJJLTZMODNZ-OAQYLSRUSA-N 1 0 302.399 2.282 10 0 DEAERO COc1cc(C[NH2+]C[C@@H](C)[S@](C)=O)c(SC)cc1OC ZINC000159610065 186130862 /nfs/dbraw/zinc/13/08/62/186130862.db2.gz HTLVTRIQQCIWKB-CFMSYZGJSA-N 1 0 317.476 2.282 10 0 DEAERO COc1ccc(C[NH2+]C[C@H](C)[S@@](C)=O)cc1Br ZINC000159715168 186137004 /nfs/dbraw/zinc/13/70/04/186137004.db2.gz QCANMSOULHSQPM-XYZCENFISA-N 1 0 320.252 2.314 10 0 DEAERO Fc1cccc(COC[C@H]2C[NH2+]CCO2)c1Br ZINC000163958553 186143402 /nfs/dbraw/zinc/14/34/02/186143402.db2.gz IQZDFMNKRAJCDP-SNVBAGLBSA-N 1 0 304.159 2.093 10 0 DEAERO COCC[NH2+]C[C@@H]1CCCN1c1ccncc1Br ZINC000164151304 186150787 /nfs/dbraw/zinc/15/07/87/186150787.db2.gz MFJMJBDKSYOCDF-NSHDSACASA-N 1 0 314.227 2.049 10 0 DEAERO Cn1ncc(Br)c1C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000164199875 186151882 /nfs/dbraw/zinc/15/18/82/186151882.db2.gz AUJCURIGSMGGTF-SECBINFHSA-N 1 0 300.200 2.288 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000164276498 186154470 /nfs/dbraw/zinc/15/44/70/186154470.db2.gz SWDCKXHYAPQXPH-RKDXNWHRSA-N 1 0 300.200 2.094 10 0 DEAERO COc1ccc(Br)cc1NC(=O)C(C)=C1C[NH2+]C1 ZINC000164456788 186159353 /nfs/dbraw/zinc/15/93/53/186159353.db2.gz ZYWLCRYVLAJQOK-UHFFFAOYSA-N 1 0 311.179 2.316 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)C[C@H](O)COCc2cccs2)C1 ZINC000188016474 186244011 /nfs/dbraw/zinc/24/40/11/186244011.db2.gz UHLHJLGJWUGDHE-YCPHGPKFSA-N 1 0 313.463 2.109 10 0 DEAERO CN(C)c1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000186052764 186235918 /nfs/dbraw/zinc/23/59/18/186235918.db2.gz DPJBYKIZAPEMPF-AWEZNQCLSA-N 1 0 324.428 2.221 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)C1 ZINC000253356086 186300015 /nfs/dbraw/zinc/30/00/15/186300015.db2.gz WHOVFRXSXIZRSD-OCCSQVGLSA-N 1 0 319.405 2.260 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)OC)Cc1ccccc1 ZINC000171592551 197947746 /nfs/dbraw/zinc/94/77/46/197947746.db2.gz FSARVPPTIHNNEC-INIZCTEOSA-N 1 0 306.450 2.481 10 0 DEAERO Cc1cc(C)cc(OCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171904107 198004703 /nfs/dbraw/zinc/00/47/03/198004703.db2.gz QQADZJNHEAULOY-MRXNPFEDSA-N 1 0 317.433 2.172 10 0 DEAERO COc1cc(Cl)ccc1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171908056 198005690 /nfs/dbraw/zinc/00/56/90/198005690.db2.gz IJTJVIZLVVDKCL-AWEZNQCLSA-N 1 0 323.824 2.338 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000172081858 198036292 /nfs/dbraw/zinc/03/62/92/198036292.db2.gz FDAXNRLZOHVTHZ-IAQYHMDHSA-N 1 0 309.360 2.072 10 0 DEAERO C[C@H](Cn1cncn1)[NH2+]Cc1cscc1Br ZINC000285471652 539824876 /nfs/dbraw/zinc/82/48/76/539824876.db2.gz NVZXAXWDSJSXCB-MRVPVSSYSA-N 1 0 301.213 2.280 10 0 DEAERO O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172290147 198071730 /nfs/dbraw/zinc/07/17/30/198071730.db2.gz QASYMQWHGBQXQM-FRRDWIJNSA-N 1 0 306.356 2.375 10 0 DEAERO CNc1cnc(C[C@@H]2COCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000072388210 191146158 /nfs/dbraw/zinc/14/61/58/191146158.db2.gz CWFBMAWINVEZMS-INIZCTEOSA-N 1 0 312.417 2.209 10 0 DEAERO C[C@@H](C(=O)Nc1cccnc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802877 198150590 /nfs/dbraw/zinc/15/05/90/198150590.db2.gz GEPRHILDAJWMOW-QWHCGFSZSA-N 1 0 322.840 2.232 10 0 DEAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCCS(N)(=O)=O)o1 ZINC000172872052 198161022 /nfs/dbraw/zinc/16/10/22/198161022.db2.gz HMCPGZWUQDHQKT-ZDUSSCGKSA-N 1 0 300.424 2.048 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCNC1=O)c1ccc2c(c1)CCCC2 ZINC000072789113 191228433 /nfs/dbraw/zinc/22/84/33/191228433.db2.gz KYHJSGQDUVBPQR-OLZOCXBDSA-N 1 0 315.417 2.156 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ncnc4sc5c(c43)CCC5)C[C@@H]12 ZINC000333912623 282987543 /nfs/dbraw/zinc/98/75/43/282987543.db2.gz LVOKRHHJEOHJAX-YUSALJHKSA-N 1 0 300.431 2.354 10 0 DEAERO Cc1ccc(O[C@@H](C)CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000173221562 198197459 /nfs/dbraw/zinc/19/74/59/198197459.db2.gz ZVTCJZOXYAQPAT-JKSUJKDBSA-N 1 0 317.433 2.252 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000173261287 198202769 /nfs/dbraw/zinc/20/27/69/198202769.db2.gz DQWVQNYQERZOGV-ZBFHGGJFSA-N 1 0 310.463 2.346 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000173270020 198204518 /nfs/dbraw/zinc/20/45/18/198204518.db2.gz GHRRJWRFTQGFOM-IUODEOHRSA-N 1 0 309.385 2.135 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)c1ccccn1 ZINC000173383990 198208085 /nfs/dbraw/zinc/20/80/85/198208085.db2.gz KHVNQOAPVRQKFD-RRFJBIMHSA-N 1 0 302.422 2.411 10 0 DEAERO C[C@@H](CCc1cccn1C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000173509517 198222381 /nfs/dbraw/zinc/22/23/81/198222381.db2.gz GIFQOWJQRUKUQI-DOTOQJQBSA-N 1 0 318.465 2.226 10 0 DEAERO O=C(NCC1(c2ccccc2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173625678 198233997 /nfs/dbraw/zinc/23/39/97/198233997.db2.gz MVWIUMNMPPXLCS-KRWDZBQOSA-N 1 0 311.429 2.374 10 0 DEAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@H](C)C2)cc1 ZINC000333629443 539966186 /nfs/dbraw/zinc/96/61/86/539966186.db2.gz GIXBIRWUHGHJMZ-JQFCIGGWSA-N 1 0 317.433 2.192 10 0 DEAERO Fc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333657974 539967587 /nfs/dbraw/zinc/96/75/87/539967587.db2.gz ASSUIEGDIXHNDZ-GWCFXTLKSA-N 1 0 319.409 2.344 10 0 DEAERO COc1cccc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000173748127 198247697 /nfs/dbraw/zinc/24/76/97/198247697.db2.gz PLUVRKNMAAFLKM-GOEBONIOSA-N 1 0 319.449 2.362 10 0 DEAERO Cc1cccc(CS(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000173885046 198265557 /nfs/dbraw/zinc/26/55/57/198265557.db2.gz WCMLPSAXYRMIRG-GOEBONIOSA-N 1 0 310.463 2.143 10 0 DEAERO Cc1cccc(O[C@H](C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000173915657 198267989 /nfs/dbraw/zinc/26/79/89/198267989.db2.gz QOYWOEYJRQWUBV-HUUCEWRRSA-N 1 0 305.422 2.108 10 0 DEAERO COCc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173812235 198255874 /nfs/dbraw/zinc/25/58/74/198255874.db2.gz RNGZYMPZPYMXFC-YOEHRIQHSA-N 1 0 319.449 2.457 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccc(Br)s2)C1 ZINC000085011317 192480035 /nfs/dbraw/zinc/48/00/35/192480035.db2.gz PBGFKOLBRCXCGG-JGVFFNPUSA-N 1 0 303.225 2.254 10 0 DEAERO C[C@@H](Cc1ccccc1F)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174252946 198310756 /nfs/dbraw/zinc/31/07/56/198310756.db2.gz YVTUVGBKORIGOL-HOCLYGCPSA-N 1 0 317.408 2.412 10 0 DEAERO CC[C@@H]1CN(C(=O)c2ccccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000174603817 198357893 /nfs/dbraw/zinc/35/78/93/198357893.db2.gz OFXJSOGWPBOGMA-CHWSQXEVSA-N 1 0 310.825 2.257 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000174734961 198377289 /nfs/dbraw/zinc/37/72/89/198377289.db2.gz NGHBGUYDQNQJMI-GJZGRUSLSA-N 1 0 319.449 2.374 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(OCC(=O)OCC)cc1)[NH+](C)C ZINC000182176011 199398770 /nfs/dbraw/zinc/39/87/70/199398770.db2.gz NKRMQMOTWCTZNY-OAHLLOKOSA-N 1 0 322.405 2.297 10 0 DEAERO COC(=O)CCC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000016037041 354035477 /nfs/dbraw/zinc/03/54/77/354035477.db2.gz YFIHNSLWCHRTFQ-GDBMZVCRSA-N 1 0 316.401 2.083 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N2CCC[NH2+]CC2)cc1 ZINC000236786470 202007444 /nfs/dbraw/zinc/00/74/44/202007444.db2.gz TWCSMRYBKHHTIU-UHFFFAOYSA-N 1 0 318.417 2.260 10 0 DEAERO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000236798184 202012298 /nfs/dbraw/zinc/01/22/98/202012298.db2.gz VILUDOFHIYAAQR-KBPBESRZSA-N 1 0 318.417 2.195 10 0 DEAERO Cc1nc2ccccn2c1C(=O)NCCCC[NH+]1CCCC1 ZINC000044456392 354236497 /nfs/dbraw/zinc/23/64/97/354236497.db2.gz XUGUULMULLDSLI-UHFFFAOYSA-N 1 0 300.406 2.249 10 0 DEAERO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]1C2 ZINC000004626690 181131070 /nfs/dbraw/zinc/13/10/70/181131070.db2.gz GZSKEXSLDPEFPT-HZMBPMFUSA-N 1 0 323.824 2.145 10 0 investigational DEAERO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3C[C@H]3C)CC2)c1 ZINC000073327899 191304574 /nfs/dbraw/zinc/30/45/74/191304574.db2.gz OEDREVSACVVDQN-NVXWUHKLSA-N 1 0 301.434 2.032 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000065507250 354684378 /nfs/dbraw/zinc/68/43/78/354684378.db2.gz LICJLUIAKMDEEZ-JYJNAYRXSA-N 1 0 305.397 2.465 10 0 DEAERO CC[NH+](CC)CCNC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000067976372 354787368 /nfs/dbraw/zinc/78/73/68/354787368.db2.gz BKTVASUJGZYINL-UHFFFAOYSA-N 1 0 308.470 2.156 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000073471925 191320037 /nfs/dbraw/zinc/32/00/37/191320037.db2.gz PNXZISVRPIYGDV-OAHLLOKOSA-N 1 0 321.509 2.297 10 0 DEAERO Cc1ccc2c(c1C)OC[C@H]2NC(=O)NC1CC[NH+](C)CC1 ZINC000077511097 355210165 /nfs/dbraw/zinc/21/01/65/355210165.db2.gz VDWOBLWLUBHFAB-OAHLLOKOSA-N 1 0 303.406 2.130 10 0 DEAERO COc1cccc(OC)c1C(=O)N1CC[NH+]([C@@H](C)C2CC2)CC1 ZINC000074766672 191358076 /nfs/dbraw/zinc/35/80/76/191358076.db2.gz AZTFERCDWDVIHE-ZDUSSCGKSA-N 1 0 318.417 2.260 10 0 DEAERO O=C1C[C@@H]([NH2+]CCc2ccc(F)cc2)C(=O)N1c1ccccc1 ZINC000004954080 181179122 /nfs/dbraw/zinc/17/91/22/181179122.db2.gz IAWUYAPYBPOPGX-MRXNPFEDSA-N 1 0 312.344 2.290 10 0 DEAERO CC(C)[NH+](CCCn1c(=O)[nH]c2ccccc2c1=O)C(C)C ZINC000074782959 191360407 /nfs/dbraw/zinc/36/04/07/191360407.db2.gz QMYRFNPFRUURPY-UHFFFAOYSA-N 1 0 303.406 2.199 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CCS1 ZINC000073722564 191347650 /nfs/dbraw/zinc/34/76/50/191347650.db2.gz AMOOEQZTKPHACV-ZIAGYGMSSA-N 1 0 301.500 2.500 10 0 DEAERO Cc1c([C@H](C)NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cnn1C ZINC000079505321 355313610 /nfs/dbraw/zinc/31/36/10/355313610.db2.gz MCOSSFXTUHNZTG-DZGCQCFKSA-N 1 0 319.453 2.059 10 0 DEAERO O=C1COc2ccc([C@H](O)CC[NH+]3CCCCCC3)cc2N1 ZINC000075219723 191442981 /nfs/dbraw/zinc/44/29/81/191442981.db2.gz IQTIQOPVAMRPTN-OAHLLOKOSA-N 1 0 304.390 2.317 10 0 DEAERO CCOc1ccc(NC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)cc1 ZINC000177083804 198664106 /nfs/dbraw/zinc/66/41/06/198664106.db2.gz GMKRNTMDFRRTTO-HNNXBMFYSA-N 1 0 321.421 2.006 10 0 DEAERO [NH3+]C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C(F)(F)F ZINC000401707414 540141592 /nfs/dbraw/zinc/14/15/92/540141592.db2.gz FOYJEYJFMUCMNB-PRJMDXOYSA-N 1 0 306.250 2.361 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1ccccc1C(F)(F)F)C(F)(F)F ZINC000401715590 540142228 /nfs/dbraw/zinc/14/22/28/540142228.db2.gz KSWZZGRLAAHDSQ-MRVPVSSYSA-N 1 0 300.202 2.325 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415260657 540159419 /nfs/dbraw/zinc/15/94/19/540159419.db2.gz GBUUMRQICVZKNE-CHWSQXEVSA-N 1 0 304.394 2.061 10 0 DEAERO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439973378 540180950 /nfs/dbraw/zinc/18/09/50/540180950.db2.gz SLXXVRNQAYUNLF-ZDUSSCGKSA-N 1 0 318.421 2.275 10 0 DEAERO CC(C)CC[NH+]1CCN(c2nccn(CC(C)C)c2=O)CC1 ZINC000094136920 355694564 /nfs/dbraw/zinc/69/45/64/355694564.db2.gz QYLZYNOEMIWYGV-UHFFFAOYSA-N 1 0 306.454 2.067 10 0 DEAERO C[C@@H](CCCO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000094943809 355696502 /nfs/dbraw/zinc/69/65/02/355696502.db2.gz BJMNSVXWQGECKC-QWRGUYRKSA-N 1 0 322.232 2.484 10 0 DEAERO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)C[C@@H]1CCCO1 ZINC000102770553 355713543 /nfs/dbraw/zinc/71/35/43/355713543.db2.gz OQZGGSYKQKSVSM-OFQRWUPVSA-N 1 0 318.417 2.126 10 0 DEAERO CC(C)([NH3+])c1cc2nc(Cl)nc(N3CCOCC3)c2s1 ZINC000115747039 355770782 /nfs/dbraw/zinc/77/07/82/355770782.db2.gz YEFYIJJGHCHMHG-UHFFFAOYSA-N 1 0 312.826 2.375 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000134440770 355860207 /nfs/dbraw/zinc/86/02/07/355860207.db2.gz ZTXYDSSRDSAHQZ-ZDUSSCGKSA-N 1 0 300.349 2.098 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000370570528 283127519 /nfs/dbraw/zinc/12/75/19/283127519.db2.gz YFXYZKQWTILYNF-IRXDYDNUSA-N 1 0 302.418 2.322 10 0 DEAERO CN(C)C(=O)c1ccc(Cl)c(NC(=O)[C@]2(C)CCC[NH2+]2)c1 ZINC000079512561 191947018 /nfs/dbraw/zinc/94/70/18/191947018.db2.gz UKLNVPHRJBLNOZ-HNNXBMFYSA-N 1 0 309.797 2.122 10 0 DEAERO CC(C)C[C@H](CNC(=O)[C@@H](C)Oc1cccc(CO)c1)[NH+](C)C ZINC000180389762 356049398 /nfs/dbraw/zinc/04/93/98/356049398.db2.gz QRIFYCKKMUXVMZ-GDBMZVCRSA-N 1 0 322.449 2.039 10 0 DEAERO CC(C)Oc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000179116463 356015204 /nfs/dbraw/zinc/01/52/04/356015204.db2.gz QLIQHWXWZLEMJR-KGLIPLIRSA-N 1 0 305.422 2.424 10 0 DEAERO CC(C)S(=O)(=O)CCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182285278 356119248 /nfs/dbraw/zinc/11/92/48/356119248.db2.gz RBBAIGISOHRLNP-GFCCVEGCSA-N 1 0 313.419 2.279 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2CCOC)C12CCCC2 ZINC000181675281 356089132 /nfs/dbraw/zinc/08/91/32/356089132.db2.gz UZOYKQDEXIICLT-YESZJQIVSA-N 1 0 310.482 2.425 10 0 DEAERO COC(=O)[C@H](C)[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000181769029 356094770 /nfs/dbraw/zinc/09/47/70/356094770.db2.gz ZRSKRDIPMOIEEP-USWWRNFRSA-N 1 0 305.296 2.050 10 0 DEAERO Cc1cccc(S(=O)(=O)N(C)c2ccc(C(N)=[NH2+])cc2)c1 ZINC000079799644 191974524 /nfs/dbraw/zinc/97/45/24/191974524.db2.gz WNMDRPYBTBNKGH-UHFFFAOYSA-N 1 0 303.387 2.104 10 0 DEAERO CCC[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)CC(C)(C)C)C1 ZINC000080185120 192010388 /nfs/dbraw/zinc/01/03/88/192010388.db2.gz KLTRQPSIOAPXIY-KGLIPLIRSA-N 1 0 304.500 2.462 10 0 DEAERO CC(C)(C)CS(=O)(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000080191513 192011632 /nfs/dbraw/zinc/01/16/32/192011632.db2.gz JSXNHAFHNSZJKD-CYBMUJFWSA-N 1 0 302.484 2.407 10 0 DEAERO COc1cc(C[NH2+][C@@H](C)CCO)cc(Br)c1O ZINC000080203864 192012007 /nfs/dbraw/zinc/01/20/07/192012007.db2.gz RTZLNUBNKHOXOT-QMMMGPOBSA-N 1 0 304.184 2.024 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(OCC[NH3+])cc2)n1 ZINC000183228271 356163160 /nfs/dbraw/zinc/16/31/60/356163160.db2.gz FNLPGCJRBJGXAW-ZDUSSCGKSA-N 1 0 302.378 2.037 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@@H](C)c2nccs2)C1 ZINC000182857823 356149293 /nfs/dbraw/zinc/14/92/93/356149293.db2.gz JSQOHDSOZMXNOT-OLZOCXBDSA-N 1 0 310.467 2.372 10 0 DEAERO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1nncs1 ZINC000193625661 356228300 /nfs/dbraw/zinc/22/83/00/356228300.db2.gz GYNOXRAEUCYYNJ-ZDUSSCGKSA-N 1 0 317.418 2.182 10 0 DEAERO COc1cc(C)c([C@H](C)[NH2+]CCCn2ccnn2)cc1OC ZINC000184263259 356189506 /nfs/dbraw/zinc/18/95/06/356189506.db2.gz WTEWTIJUVYNCDG-ZDUSSCGKSA-N 1 0 304.394 2.345 10 0 DEAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000184925412 356199548 /nfs/dbraw/zinc/19/95/48/356199548.db2.gz DVFLZLIXDJHXPZ-NXOAAHMSSA-N 1 0 308.466 2.163 10 0 DEAERO NC(=S)[C@H](CN1CCC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000080797742 192191475 /nfs/dbraw/zinc/19/14/75/192191475.db2.gz WLPZCBGAAJWUSQ-HZPDHXFCSA-N 1 0 303.475 2.226 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])s1 ZINC000227721807 356280351 /nfs/dbraw/zinc/28/03/51/356280351.db2.gz UJZXOGAIIRQHQU-AWEZNQCLSA-N 1 0 322.455 2.303 10 0 DEAERO [NH3+]C1(COC2=NS(=O)(=O)c3ccccc32)CCCCCC1 ZINC000080902350 192198918 /nfs/dbraw/zinc/19/89/18/192198918.db2.gz BDLOCKKTDHTNMT-UHFFFAOYSA-N 1 0 308.403 2.204 10 0 DEAERO CC(C)[C@@H](C(=O)NCc1ccccc1-n1cccn1)[C@@H](C)[NH3+] ZINC000399741962 283154230 /nfs/dbraw/zinc/15/42/30/283154230.db2.gz QDCABOHOPKRZKA-CZUORRHYSA-N 1 0 300.406 2.108 10 0 DEAERO C/C=C\c1ccc(OCC(=O)NCC[NH2+]CCC)c(OC)c1 ZINC000255837625 356338069 /nfs/dbraw/zinc/33/80/69/356338069.db2.gz GOGZROVPLTXQKF-XQRVVYSFSA-N 1 0 306.406 2.223 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N(CCc2ccccc2)[C@H]2CCOC2)C1 ZINC000262289209 356341325 /nfs/dbraw/zinc/34/13/25/356341325.db2.gz NFTDBXUWQGFALN-KSZLIROESA-N 1 0 316.445 2.364 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NCC2CC[NH+](C)CC2)c1 ZINC000081106668 192226765 /nfs/dbraw/zinc/22/67/65/192226765.db2.gz OLRHJFBRRXKOTI-UHFFFAOYSA-N 1 0 318.421 2.133 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400781645 283158486 /nfs/dbraw/zinc/15/84/86/283158486.db2.gz PQXLIJPUPSZIMS-ZENOOKHLSA-N 1 0 300.443 2.383 10 0 DEAERO Cc1c(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000400390916 283156310 /nfs/dbraw/zinc/15/63/10/283156310.db2.gz IHMUFABCAFGKMY-GXTWGEPZSA-N 1 0 322.453 2.464 10 0 DEAERO C[C@H](CCCO)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400397936 283156788 /nfs/dbraw/zinc/15/67/88/283156788.db2.gz JSHXYLPYEASKMI-MGPQQGTHSA-N 1 0 300.443 2.383 10 0 DEAERO O[C@@H](c1cccc(I)c1)[C@@H]1CCC[NH2+]1 ZINC000306186680 356402573 /nfs/dbraw/zinc/40/25/73/356402573.db2.gz SNWLZZOFBJOYNL-QWRGUYRKSA-N 1 0 303.143 2.077 10 0 DEAERO C[C@H]1CC[C@@]([NH3+])(c2ncncc2I)C1 ZINC000306153627 356402871 /nfs/dbraw/zinc/40/28/71/356402871.db2.gz BAMRFPVGNRERRF-XVKPBYJWSA-N 1 0 303.147 2.055 10 0 DEAERO CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCSC2)nn1 ZINC000328606413 356459700 /nfs/dbraw/zinc/45/97/00/356459700.db2.gz RMAXDQSPTFNTCE-FRRDWIJNSA-N 1 0 310.467 2.084 10 0 DEAERO Brc1cc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)cs1 ZINC000404261629 283164896 /nfs/dbraw/zinc/16/48/96/283164896.db2.gz OLCPBIJSFNUCAK-QWRGUYRKSA-N 1 0 317.252 2.073 10 0 DEAERO Cc1ccc(O)c(CN(Cc2cccnc2)C[C@H]2CC[NH2+]C2)n1 ZINC000328651047 356466999 /nfs/dbraw/zinc/46/69/99/356466999.db2.gz VUMWJHSGTPMWJG-INIZCTEOSA-N 1 0 312.417 2.102 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCn2cnnc2C1 ZINC000081532726 192284803 /nfs/dbraw/zinc/28/48/03/192284803.db2.gz QESYZLFJFCEXCH-LBPRGKRZSA-N 1 0 312.204 2.101 10 0 DEAERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N[C@@H](C)CCOC)c1 ZINC000081717820 192316368 /nfs/dbraw/zinc/31/63/68/192316368.db2.gz MGDGRKFUKGABNJ-SWLSCSKDSA-N 1 0 314.451 2.060 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000086026554 192545537 /nfs/dbraw/zinc/54/55/37/192545537.db2.gz OHROPCLAPDRJEJ-AAEUAGOBSA-N 1 0 321.364 2.271 10 0 DEAERO CC[NH2+]CCNC(=O)c1ccccc1SCc1nc(C)no1 ZINC000236979135 202105072 /nfs/dbraw/zinc/10/50/72/202105072.db2.gz UNJDISXVOFTXRN-UHFFFAOYSA-N 1 0 320.418 2.010 10 0 DEAERO CCc1cnc(CCNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000237008686 202119845 /nfs/dbraw/zinc/11/98/45/202119845.db2.gz OLCTWTPZDBNOSN-OLZOCXBDSA-N 1 0 309.479 2.390 10 0 DEAERO CCOCC[C@H](O)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000087350237 192641437 /nfs/dbraw/zinc/64/14/37/192641437.db2.gz BYCFVZNTTKWJPS-OLZOCXBDSA-N 1 0 302.212 2.279 10 0 DEAERO CC[C@@H]1CCCN1S(=O)(=O)c1ccc(CCC[NH2+]C)cc1 ZINC000088973376 192675388 /nfs/dbraw/zinc/67/53/88/192675388.db2.gz QSGLTBURMZGCGI-OAHLLOKOSA-N 1 0 310.463 2.402 10 0 DEAERO CC(C)[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)c(C[NH3+])c1 ZINC000088963577 192671690 /nfs/dbraw/zinc/67/16/90/192671690.db2.gz MWKQEMMPDDPLIX-SNVBAGLBSA-N 1 0 304.843 2.464 10 0 DEAERO CCC[NH2+]C[C@H](C)S(=O)(=O)N(C)Cc1ccc(Cl)cc1 ZINC000088987850 192683746 /nfs/dbraw/zinc/68/37/46/192683746.db2.gz QQPRIZZLIRRNHV-LBPRGKRZSA-N 1 0 318.870 2.490 10 0 DEAERO Cc1ccccc1C1(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000588856898 357430415 /nfs/dbraw/zinc/43/04/15/357430415.db2.gz OIFXOVSUOQSHKG-UHFFFAOYSA-N 1 0 312.417 2.423 10 0 DEAERO COCC[N@H+](C)CCNC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000588932695 357435352 /nfs/dbraw/zinc/43/53/52/357435352.db2.gz MHEPHHVHJSLGJF-UHFFFAOYSA-N 1 0 309.797 2.129 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NCCc2ccccn2)[C@@H]1c1ccccc1 ZINC000179383087 199026380 /nfs/dbraw/zinc/02/63/80/199026380.db2.gz DXUAYNYNSWBWRS-ROUUACIJSA-N 1 0 324.428 2.369 10 0 DEAERO NC(=O)N1CCC([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000179960228 283297330 /nfs/dbraw/zinc/29/73/30/283297330.db2.gz ORJWHADKYLUWDH-CQSZACIVSA-N 1 0 307.369 2.172 10 0 DEAERO CCC[C@H](C(=O)NCc1ccc(Cn2cccn2)cc1)[NH+](C)C ZINC000179436725 199035072 /nfs/dbraw/zinc/03/50/72/199035072.db2.gz LBGDAZHSSFXXET-QGZVFWFLSA-N 1 0 314.433 2.278 10 0 DEAERO CCOC(=O)CN(Cc1ccccc1)C(=O)C1CCC([NH3+])CC1 ZINC000592558409 357901313 /nfs/dbraw/zinc/90/13/13/357901313.db2.gz MIDGOAFNRHVBHR-UHFFFAOYSA-N 1 0 318.417 2.096 10 0 DEAERO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H](CO)[C@H]2C)c1C ZINC000488749831 283304908 /nfs/dbraw/zinc/30/49/08/283304908.db2.gz SHXBVFAPKZXSBB-BRWVUGGUSA-N 1 0 307.434 2.054 10 0 DEAERO CCn1nc(C)c(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C ZINC000179549122 199053204 /nfs/dbraw/zinc/05/32/04/199053204.db2.gz UZEKEXHKELNSGJ-SMDDNHRTSA-N 1 0 307.442 2.370 10 0 DEAERO C[NH+](C)CC1(CNC(=O)NCCCc2ccccn2)CCCC1 ZINC000185050682 199802561 /nfs/dbraw/zinc/80/25/61/199802561.db2.gz PIEZWCHEVXQCHX-UHFFFAOYSA-N 1 0 318.465 2.435 10 0 DEAERO COc1ccc(/C=C/C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1F ZINC000237304523 202224825 /nfs/dbraw/zinc/22/48/25/202224825.db2.gz ZXQJLEYEUYTPQW-KSZPNQFKSA-N 1 0 306.381 2.433 10 0 DEAERO O=C(c1ccc(C(F)(F)F)cc1O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000180449066 199160050 /nfs/dbraw/zinc/16/00/50/199160050.db2.gz GBBPCYZUYJWVTC-NSHDSACASA-N 1 0 314.307 2.331 10 0 DEAERO Cc1cccnc1C[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000180478196 199164614 /nfs/dbraw/zinc/16/46/14/199164614.db2.gz WWUZVSJFDJJVIH-UHFFFAOYSA-N 1 0 313.449 2.183 10 0 DEAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000056194650 283361412 /nfs/dbraw/zinc/36/14/12/283361412.db2.gz 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1 0 304.500 2.054 10 0 DEAERO CCN1CCO[C@H](C[NH3+])[C@@H]1c1ccc(Br)c(C)c1 ZINC000091475849 193061685 /nfs/dbraw/zinc/06/16/85/193061685.db2.gz ZHNGJMWBZMZWNJ-KGLIPLIRSA-N 1 0 313.239 2.478 10 0 DEAERO C[NH2+][C@H](CCCS(C)(=O)=O)C1(N(C)C)CCCCCC1 ZINC000091654555 193085189 /nfs/dbraw/zinc/08/51/89/193085189.db2.gz PFVRUJKLEGDARW-CQSZACIVSA-N 1 0 304.500 2.054 10 0 DEAERO C[NH2+][C@@H](Cc1cccc(C(F)(F)F)c1)[C@H]1CN(C)CCO1 ZINC000091717716 193096965 /nfs/dbraw/zinc/09/69/65/193096965.db2.gz QWSPGSWTADQVQV-UONOGXRCSA-N 1 0 302.340 2.167 10 0 DEAERO CCC[NH2+][C@H](Cc1csc(C)n1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722229 193097402 /nfs/dbraw/zinc/09/74/02/193097402.db2.gz KXGTXGNFQIWATI-OAGGEKHMSA-N 1 0 309.479 2.225 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(C)ccc1F ZINC000091850535 193118075 /nfs/dbraw/zinc/11/80/75/193118075.db2.gz PTTFYYSFIYVQPC-UHFFFAOYSA-N 1 0 314.426 2.415 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000091850612 193118373 /nfs/dbraw/zinc/11/83/73/193118373.db2.gz KFYWCUHNCNUALD-UHFFFAOYSA-N 1 0 318.389 2.245 10 0 DEAERO C[NH2+]C1CCC([N@H+](C)Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000091872929 193120807 /nfs/dbraw/zinc/12/08/07/193120807.db2.gz MGCXZAVKSCPWTK-UHFFFAOYSA-N 1 0 306.435 2.359 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000624407025 365413032 /nfs/dbraw/zinc/41/30/32/365413032.db2.gz RNDFRSXXTLOXNC-CMPLNLGQSA-N 1 0 302.827 2.067 10 0 DEAERO C[C@](O)(c1ccc(Br)cc1)C1(C[NH3+])CCOCC1 ZINC000091905823 193124974 /nfs/dbraw/zinc/12/49/74/193124974.db2.gz DLOMHVNECLNYQJ-ZDUSSCGKSA-N 1 0 314.223 2.412 10 0 DEAERO CC[C@@H]([NH3+])Cc1ccc(OC[C@H]2CN(C)CCO2)c(Cl)c1 ZINC000092060726 193149458 /nfs/dbraw/zinc/14/94/58/193149458.db2.gz KWILNCAYEHEDSL-ZIAGYGMSSA-N 1 0 312.841 2.329 10 0 DEAERO Brc1cnc(C2CC2)nc1N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000630385162 367626735 /nfs/dbraw/zinc/62/67/35/367626735.db2.gz CCXLSPFBSGGXMJ-AOOOYVTPSA-N 1 0 309.211 2.057 10 0 DEAERO CO[C@H]1CN(Cc2ccccc2Br)[C@@](C)(C[NH3+])C1 ZINC000630365876 367613753 /nfs/dbraw/zinc/61/37/53/367613753.db2.gz ZHWZLFRGDVYIAY-TZMCWYRMSA-N 1 0 313.239 2.387 10 0 DEAERO C[C@@H]1C[NH+](CCC(=O)Nc2cccc(C(N)=S)c2)C[C@H]1C ZINC000092085474 193154892 /nfs/dbraw/zinc/15/48/92/193154892.db2.gz NEXXMCYWOOOHDT-VXGBXAGGSA-N 1 0 305.447 2.237 10 0 DEAERO [NH3+]C[C@H]1CN(c2nc(C3CC3)ns2)CC[C@@H]1C(F)(F)F ZINC000630525076 367705580 /nfs/dbraw/zinc/70/55/80/367705580.db2.gz AQPRBWIMQDPNNM-IUCAKERBSA-N 1 0 306.357 2.379 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CC2(C1)CC(F)(F)C2 ZINC000677734310 541623425 /nfs/dbraw/zinc/62/34/25/541623425.db2.gz UJEKOVHXOGFSES-HNNXBMFYSA-N 1 0 310.388 2.210 10 0 DEAERO c1cc2c(cc1OCc1nc(C3CCC3)no1)OCC[NH2+]C2 ZINC000630505483 367694743 /nfs/dbraw/zinc/69/47/43/367694743.db2.gz YCZYGKBWUHYPAE-UHFFFAOYSA-N 1 0 301.346 2.398 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])cc2F)C1 ZINC000092115714 193163626 /nfs/dbraw/zinc/16/36/26/193163626.db2.gz WWWPCKPNNGDSDZ-LLVKDONJSA-N 1 0 300.399 2.095 10 0 DEAERO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])cc2F)CC1 ZINC000092116175 193164479 /nfs/dbraw/zinc/16/44/79/193164479.db2.gz TUSKGCGWEYDCOA-NSHDSACASA-N 1 0 300.399 2.095 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000092116265 193164532 /nfs/dbraw/zinc/16/45/32/193164532.db2.gz SXVNLVRDKUDNGY-JSGCOSHPSA-N 1 0 312.410 2.238 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000528749223 283997485 /nfs/dbraw/zinc/99/74/85/283997485.db2.gz CPEQVQPPZPDDQF-NOOLBSRQSA-N 1 0 321.417 2.030 10 0 DEAERO c1nc2nc(=NCC[NH+]3CCCCC3)cc(-c3ccccc3)n2[nH]1 ZINC000631061418 367995312 /nfs/dbraw/zinc/99/53/12/367995312.db2.gz TYSXJKUDLDLVRM-UHFFFAOYSA-N 1 0 322.416 2.111 10 0 DEAERO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000528760181 284003045 /nfs/dbraw/zinc/00/30/45/284003045.db2.gz WODNKDHWNTWBQD-HEKSYOIISA-N 1 0 304.390 2.229 10 0 DEAERO c1coc(-c2ncc(C[NH2+]C3CN(c4ccncn4)C3)s2)c1 ZINC000631257433 368106686 /nfs/dbraw/zinc/10/66/86/368106686.db2.gz WJZKILYLAGTYSW-UHFFFAOYSA-N 1 0 313.386 2.172 10 0 DEAERO O[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)COc1ccccc1 ZINC000282032488 216712591 /nfs/dbraw/zinc/71/25/91/216712591.db2.gz LACSNRHKBSBDOV-RDJZCZTQSA-N 1 0 305.418 2.365 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc(Cl)c2-n2cccn2)C1 ZINC000092204136 193172817 /nfs/dbraw/zinc/17/28/17/193172817.db2.gz DUAYLIQNVSRGQK-GHMZBOCLSA-N 1 0 302.765 2.368 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000092205525 193173181 /nfs/dbraw/zinc/17/31/81/193173181.db2.gz QJXADWXGHGGJJX-BPLDGKMQSA-N 1 0 306.793 2.143 10 0 DEAERO COc1ccc(Br)cc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092206970 193173964 /nfs/dbraw/zinc/17/39/64/193173964.db2.gz WDCAPNNHQNQSOK-PSASIEDQSA-N 1 0 311.179 2.300 10 0 DEAERO c1ccc2c(c1)CCSC[C@@H]2[NH2+]C1CN(c2ccncn2)C1 ZINC000631746322 368367078 /nfs/dbraw/zinc/36/70/78/368367078.db2.gz HNCIXSGMMKNFLV-INIZCTEOSA-N 1 0 312.442 2.285 10 0 DEAERO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1nnnn1C1CC1 ZINC000289498716 299386312 /nfs/dbraw/zinc/38/63/12/299386312.db2.gz ZUXXYYZMCVVPOL-APHBMKBZSA-N 1 0 312.421 2.104 10 0 DEAERO c1csc(-c2noc(CN3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631886949 368443830 /nfs/dbraw/zinc/44/38/30/368443830.db2.gz NGELGFRNJVFWGT-RYUDHWBXSA-N 1 0 304.419 2.372 10 0 DEAERO Brc1ccc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)nc1 ZINC000631890633 368444927 /nfs/dbraw/zinc/44/49/27/368444927.db2.gz UGKSLCYPQUHOHI-SMDDNHRTSA-N 1 0 310.239 2.418 10 0 DEAERO O=C(N[C@@H]1CCc2c1cccc2O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000266161536 284102507 /nfs/dbraw/zinc/10/25/07/284102507.db2.gz ZWFLDMYTIVREHS-CZUORRHYSA-N 1 0 315.417 2.259 10 0 DEAERO O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000261930203 203156082 /nfs/dbraw/zinc/15/60/82/203156082.db2.gz JJCZMCAANQBCRY-BHYGNILZSA-N 1 0 302.418 2.270 10 0 DEAERO CCc1ccc([C@H](C)NC(=O)[C@H](NC)c2cnn(C)c2)cc1 ZINC000262193872 203226047 /nfs/dbraw/zinc/22/60/47/203226047.db2.gz MJBLSIBYSNCVBA-BLLLJJGKSA-N 1 0 300.406 2.120 10 0 DEAERO CCn1ncnc1C[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000093151685 193208507 /nfs/dbraw/zinc/20/85/07/193208507.db2.gz DHTZXXWSUVABEH-LLVKDONJSA-N 1 0 309.211 2.346 10 0 DEAERO CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262452983 203299204 /nfs/dbraw/zinc/29/92/04/203299204.db2.gz ZTLJTKUHEOTMFT-WFGGJUAMSA-N 1 0 308.397 2.406 10 0 DEAERO C[NH2+][C@@H](C(=O)N(C)c1ccc(SC)cc1)c1cnn(C)c1 ZINC000262511234 203315348 /nfs/dbraw/zinc/31/53/48/203315348.db2.gz JQNKKSVFYGXSII-CQSZACIVSA-N 1 0 304.419 2.066 10 0 DEAERO CS(=O)(=O)Nc1ccc(Cl)c(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093212519 193216978 /nfs/dbraw/zinc/21/69/78/193216978.db2.gz UGMGFAFKTLSAOE-ZJUUUORDSA-N 1 0 317.842 2.393 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)C[C@@H](C)CC)nc1 ZINC000093265772 193222731 /nfs/dbraw/zinc/22/27/31/193222731.db2.gz QIVREHWQRLXKFK-ZDUSSCGKSA-N 1 0 313.467 2.248 10 0 DEAERO NC1=[NH+]C[C@@]2(CCSC2)N1c1ccccc1Br ZINC000093382521 193240911 /nfs/dbraw/zinc/24/09/11/193240911.db2.gz WIUBKTCTSAPUGJ-GFCCVEGCSA-N 1 0 312.236 2.460 10 0 DEAERO C[N@@H+]1CCC[C@H](NC(=O)c2sc3cccc(F)c3c2N)C1 ZINC000093412040 193246088 /nfs/dbraw/zinc/24/60/88/193246088.db2.gz KBYRSHJXEYGVPE-VIFPVBQESA-N 1 0 307.394 2.447 10 0 DEAERO CCCN(CC[NH+](C)C)c1ncc(N)cc1Br ZINC000093433018 193250597 /nfs/dbraw/zinc/25/05/97/193250597.db2.gz RBPHVBBRCLCXQR-UHFFFAOYSA-N 1 0 301.232 2.204 10 0 DEAERO Cn1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c(-c2cccnc2)n1 ZINC000093479725 193257410 /nfs/dbraw/zinc/25/74/10/193257410.db2.gz PXGUDFSKKOUKJQ-MVVMVCHASA-N 1 0 312.417 2.075 10 0 DEAERO [NH2+]=C1NC[C@@H](c2ccccc2Br)N1C[C@H]1CCCO1 ZINC000093378125 193240956 /nfs/dbraw/zinc/24/09/56/193240956.db2.gz KXLXYILXEHBWHE-MFKMUULPSA-N 1 0 324.222 2.300 10 0 DEAERO NC1=[NH+]C[C@@H]([C@H]2CCOC2)N1c1cccc(Br)c1 ZINC000093387578 193242131 /nfs/dbraw/zinc/24/21/31/193242131.db2.gz AXTCNBLVKVDRRO-CABZTGNLSA-N 1 0 310.195 2.199 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc2c1OCCO2 ZINC000093505732 193261080 /nfs/dbraw/zinc/26/10/80/193261080.db2.gz RUFLZGPBMMQVPR-HUUCEWRRSA-N 1 0 319.401 2.467 10 0 DEAERO C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2cccnc2)CCN1C ZINC000093644138 193280462 /nfs/dbraw/zinc/28/04/62/193280462.db2.gz VSMMUDPISLVJDK-WMLDXEAASA-N 1 0 313.449 2.397 10 0 DEAERO Cc1c(Cl)cnn1CC[C@@H]1CCC[C@]1([NH2+]C(C)C)C(N)=O ZINC000093616116 193275825 /nfs/dbraw/zinc/27/58/25/193275825.db2.gz RPJJZGGEYXQACH-SWLSCSKDSA-N 1 0 312.845 2.257 10 0 DEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCO[C@@H](C)C(F)(F)F ZINC000093626378 193276415 /nfs/dbraw/zinc/27/64/15/193276415.db2.gz AGQYFCAPOMODBJ-DMDPSCGWSA-N 1 0 310.360 2.366 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1cccc(OC)c1 ZINC000093628989 193276470 /nfs/dbraw/zinc/27/64/70/193276470.db2.gz VGGAEOLHCFHOAI-WBMJQRKESA-N 1 0 308.447 2.421 10 0 DEAERO COc1c(C)cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C ZINC000093817567 193311559 /nfs/dbraw/zinc/31/15/59/193311559.db2.gz UUPINJNZIMLDON-KRWDZBQOSA-N 1 0 318.461 2.466 10 0 DEAERO CCc1ccccc1C[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697040 193292242 /nfs/dbraw/zinc/29/22/42/193292242.db2.gz LEMSBQIUDZHQBO-AWEZNQCLSA-N 1 0 310.463 2.010 10 0 DEAERO Cc1cc(C[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)sc1C ZINC000093697102 193292612 /nfs/dbraw/zinc/29/26/12/193292612.db2.gz OBFLHVRRIJXRHD-CYBMUJFWSA-N 1 0 316.492 2.126 10 0 DEAERO Cc1cccc([C@@](C)([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093699159 193293671 /nfs/dbraw/zinc/29/36/71/193293671.db2.gz JPCWMWDVJPZMJE-HOCLYGCPSA-N 1 0 310.463 2.231 10 0 DEAERO Cc1ccc([C@](C)([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093699146 193293721 /nfs/dbraw/zinc/29/37/21/193293721.db2.gz KDDTUEVNNUOHFB-GOEBONIOSA-N 1 0 310.463 2.231 10 0 DEAERO CC[NH2+][C@H](CSC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700457 193293869 /nfs/dbraw/zinc/29/38/69/193293869.db2.gz BNXRRXILOYOGCB-KBPBESRZSA-N 1 0 322.540 2.168 10 0 DEAERO CC[NH2+][C@@H](CSC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700458 193293919 /nfs/dbraw/zinc/29/39/19/193293919.db2.gz BNXRRXILOYOGCB-UONOGXRCSA-N 1 0 322.540 2.168 10 0 DEAERO CC[C@@](C)(C[NH2+]C(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701554 193294559 /nfs/dbraw/zinc/29/45/59/193294559.db2.gz NXTGNPSVIWXEEA-HUUCEWRRSA-N 1 0 304.500 2.462 10 0 DEAERO NC(=O)[C@@]1([NH3+])CCC[C@H](Oc2ccccc2C(F)(F)F)C1 ZINC000093773817 193304571 /nfs/dbraw/zinc/30/45/71/193304571.db2.gz RGTHJCFHKYZNIS-TVQRCGJNSA-N 1 0 302.296 2.210 10 0 DEAERO Cc1csc(S[C@@H]2CCC[C@]([NH2+]C3CC3)(C(N)=O)C2)n1 ZINC000093778064 193304781 /nfs/dbraw/zinc/30/47/81/193304781.db2.gz ZMGDBJDEGUPTAV-BXUZGUMPSA-N 1 0 311.476 2.462 10 0 DEAERO [NH3+][C@@]1(CO)CCC[C@@H](Sc2nnc(C3CC3)n2C2CC2)C1 ZINC000093786494 193306941 /nfs/dbraw/zinc/30/69/41/193306941.db2.gz DNRULZKJQPLMDJ-DOMZBBRYSA-N 1 0 308.451 2.215 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC000094005243 193338301 /nfs/dbraw/zinc/33/83/01/193338301.db2.gz FHJGMLDJDLRKHW-UONOGXRCSA-N 1 0 303.406 2.225 10 0 DEAERO CCN[C@]1(C(=O)OCC)CC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093831812 193314351 /nfs/dbraw/zinc/31/43/51/193314351.db2.gz XTDLLINJQPRBBA-WCQYABFASA-N 1 0 310.360 2.335 10 0 DEAERO CCc1ccc(S(=O)(=O)N(CC)CC(C)(C)C[NH3+])s1 ZINC000093878087 193322136 /nfs/dbraw/zinc/32/21/36/193322136.db2.gz GJYZOWDJJXOTIS-UHFFFAOYSA-N 1 0 304.481 2.306 10 0 DEAERO CCOc1ccc(S(=O)(=O)N(CC)CC(C)(C)C[NH3+])cc1 ZINC000093878176 193322498 /nfs/dbraw/zinc/32/24/98/193322498.db2.gz VQIYQMFMZGZYEG-UHFFFAOYSA-N 1 0 314.451 2.081 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)[C@H]1CN(C)CCN1C ZINC000093895945 193324624 /nfs/dbraw/zinc/32/46/24/193324624.db2.gz OCHSIGYCSFPDIM-DLBZAZTESA-N 1 0 309.885 2.497 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CN(C)CCN1C ZINC000093895863 193325075 /nfs/dbraw/zinc/32/50/75/193325075.db2.gz WCZXVTQCXRCCQW-IRXDYDNUSA-N 1 0 309.885 2.497 10 0 DEAERO C[NH2+][C@H](c1cccc(C(F)(F)F)c1)[C@@H]1CN(C)CCN1C ZINC000093894381 193325725 /nfs/dbraw/zinc/32/57/25/193325725.db2.gz TUTNGVHBTVLJPB-UONOGXRCSA-N 1 0 301.356 2.212 10 0 DEAERO CC[NH2+][C@H](c1ccc(F)c(F)c1F)[C@H]1CN(CC)CCO1 ZINC000093914684 193328298 /nfs/dbraw/zinc/32/82/98/193328298.db2.gz HHGVZMQQCAAYGW-IUODEOHRSA-N 1 0 302.340 2.475 10 0 DEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000094023942 193339403 /nfs/dbraw/zinc/33/94/03/193339403.db2.gz NUXQOHSFEKTHPC-UHFFFAOYSA-N 1 0 322.883 2.412 10 0 DEAERO C[NH2+][C@H](Cc1nc(-c2ccccc2)cs1)[C@@H]1COCCO1 ZINC000094256641 193355523 /nfs/dbraw/zinc/35/55/23/193355523.db2.gz ZWTHKOUATNHAKP-HIFRSBDPSA-N 1 0 304.415 2.356 10 0 DEAERO Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)[nH+]c1N ZINC000094259846 193355685 /nfs/dbraw/zinc/35/56/85/193355685.db2.gz MFSYVGFFYAVTLN-UHFFFAOYSA-N 1 0 303.797 2.226 10 0 DEAERO CN(CCS(C)(=O)=O)[C@H](C[NH2+]C(C)(C)C)c1ccccc1 ZINC000094300867 193358889 /nfs/dbraw/zinc/35/88/89/193358889.db2.gz PSXYZWJBTCAZLM-OAHLLOKOSA-N 1 0 312.479 2.092 10 0 DEAERO [NH3+]Cc1ccc(C(F)(F)F)nc1N1CCCC[C@H]1CCO ZINC000094334056 193360543 /nfs/dbraw/zinc/36/05/43/193360543.db2.gz ZZRDCMCUEDPSRI-NSHDSACASA-N 1 0 303.328 2.300 10 0 DEAERO CN(Cc1cscn1)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336727 193361367 /nfs/dbraw/zinc/36/13/67/193361367.db2.gz BCNCLKFROVCROT-UHFFFAOYSA-N 1 0 315.324 2.477 10 0 DEAERO CCS(=O)(=O)CCCOc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350156 193363317 /nfs/dbraw/zinc/36/33/17/193363317.db2.gz OSYPWSSLRLMXPA-JTQLQIEISA-N 1 0 321.389 2.058 10 0 DEAERO C[NH2+][C@@H](c1cc(Br)ccc1F)[C@H]1CN(C)CCO1 ZINC000094109072 193345442 /nfs/dbraw/zinc/34/54/42/193345442.db2.gz ZNNFNEGSVKNEFB-OLZOCXBDSA-N 1 0 317.202 2.179 10 0 DEAERO CCn1c2ccccc2nc1C[C@](O)([C@H](C)[NH3+])C(F)(F)F ZINC000094167440 193347298 /nfs/dbraw/zinc/34/72/98/193347298.db2.gz RJOIQKPYNGKCNP-ZANVPECISA-N 1 0 301.312 2.239 10 0 DEAERO CCS(=O)(=O)CCCOc1ccc(F)cc1[C@H](C)[NH2+]C ZINC000094619392 193385617 /nfs/dbraw/zinc/38/56/17/193385617.db2.gz RYCFLADAOSNGGH-NSHDSACASA-N 1 0 303.399 2.310 10 0 DEAERO CC(=O)C[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094636747 193386778 /nfs/dbraw/zinc/38/67/78/193386778.db2.gz UBBYTYQUZMXTHM-ZNMIVQPWSA-N 1 0 301.452 2.176 10 0 DEAERO CCC[NH2+][C@@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CCCOC1 ZINC000094642655 193388807 /nfs/dbraw/zinc/38/88/07/193388807.db2.gz MOZZISXSWUPJES-WCVJEAGWSA-N 1 0 317.495 2.385 10 0 DEAERO CCC(CC)([C@H](O)[C@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC000094641352 193388841 /nfs/dbraw/zinc/38/88/41/193388841.db2.gz TUBBPNDTHMXJJR-MELADBBJSA-N 1 0 305.484 2.071 10 0 DEAERO CN(C)C1([C@H]([NH3+])[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCCCC1 ZINC000094642933 193388936 /nfs/dbraw/zinc/38/89/36/193388936.db2.gz SSYWCNGAUKVNGW-QLFBSQMISA-N 1 0 316.511 2.182 10 0 DEAERO CC(C)(C)[NH2+]Cc1ccn([C@@H]2CCC[C@H](S(C)(=O)=O)C2)n1 ZINC000094644459 193389938 /nfs/dbraw/zinc/38/99/38/193389938.db2.gz XXFSVPSNEFSNSB-KGLIPLIRSA-N 1 0 313.467 2.300 10 0 DEAERO O=C(N[C@H]1CCCOc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171906211 284179192 /nfs/dbraw/zinc/17/91/92/284179192.db2.gz PDGDUVSXXDWPAP-ZBFHGGJFSA-N 1 0 315.417 2.390 10 0 DEAERO CCOC(=O)CCC[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094373683 193366960 /nfs/dbraw/zinc/36/69/60/193366960.db2.gz WHGHWLURDCDGHX-CYBMUJFWSA-N 1 0 301.452 2.364 10 0 DEAERO CCCNc1snnc1CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094442193 193370247 /nfs/dbraw/zinc/37/02/47/193370247.db2.gz JEVCGBOLRPGEMF-STQMWFEESA-N 1 0 309.483 2.419 10 0 DEAERO [NH3+][C@@H]([C@@H]1CSCCS1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094497402 193374830 /nfs/dbraw/zinc/37/48/30/193374830.db2.gz MBRDKRQJTRZOGE-RWMBFGLXSA-N 1 0 303.493 2.138 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1CN2CCN1CC2 ZINC000094509392 193376173 /nfs/dbraw/zinc/37/61/73/193376173.db2.gz CXPYPOPWBXYJAV-HUUCEWRRSA-N 1 0 314.260 2.124 10 0 DEAERO C[NH2+][C@H](Cc1csc2ccccc12)[C@H]1CN2CCN1CC2 ZINC000094509188 193376215 /nfs/dbraw/zinc/37/62/15/193376215.db2.gz GIDIRLLVWAELTL-HZPDHXFCSA-N 1 0 301.459 2.032 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000094549354 193378929 /nfs/dbraw/zinc/37/89/29/193378929.db2.gz DAQTWNXJLIMWGN-MFKMUULPSA-N 1 0 300.324 2.444 10 0 DEAERO Brc1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1 ZINC000094577242 193381380 /nfs/dbraw/zinc/38/13/80/193381380.db2.gz ZNTZPTJCYYNOHK-UHFFFAOYSA-N 1 0 319.206 2.316 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1nc2ccc(Br)cn2n1 ZINC000094608799 193384658 /nfs/dbraw/zinc/38/46/58/193384658.db2.gz CQYKEAVVYJVRKB-WPRPVWTQSA-N 1 0 310.199 2.031 10 0 DEAERO CC[NH2+][C@H](C)c1cc(F)ccc1OCCCS(C)(=O)=O ZINC000094618721 193385291 /nfs/dbraw/zinc/38/52/91/193385291.db2.gz VIXVUAMNVDFXDW-LLVKDONJSA-N 1 0 303.399 2.310 10 0 DEAERO Cc1cscc1CNS(=O)(=O)c1csc(C[NH3+])c1 ZINC000094886965 193405191 /nfs/dbraw/zinc/40/51/91/193405191.db2.gz VTUDHYGVIVTZHF-UHFFFAOYSA-N 1 0 302.446 2.055 10 0 DEAERO Cc1cc(F)c([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000094736790 193393631 /nfs/dbraw/zinc/39/36/31/193393631.db2.gz CQNMVLLQCXLLND-QWRGUYRKSA-N 1 0 303.374 2.359 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)[C@]1(C)CCCO1 ZINC000094783532 193397693 /nfs/dbraw/zinc/39/76/93/193397693.db2.gz ZOUQLTQJVYPAHJ-AAEUAGOBSA-N 1 0 316.243 2.191 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCC(C)(C)C2)ccc1F ZINC000094814949 193399708 /nfs/dbraw/zinc/39/97/08/193399708.db2.gz XZTNEPABTVXYRS-UHFFFAOYSA-N 1 0 314.426 2.356 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](c2nc(-c3cncc(Br)c3)no2)C1 ZINC000094822990 193401438 /nfs/dbraw/zinc/40/14/38/193401438.db2.gz AFQVQFRQZXNQMA-OIBJUYFYSA-N 1 0 307.151 2.265 10 0 DEAERO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2nccn2CC)n1 ZINC000453226539 245001784 /nfs/dbraw/zinc/00/17/84/245001784.db2.gz RNKMSMSFSRIGGY-NSHDSACASA-N 1 0 322.434 2.430 10 0 DEAERO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000453355049 245089280 /nfs/dbraw/zinc/08/92/80/245089280.db2.gz HFKDGSRGIOYKCO-OWLYRPNTSA-N 1 0 315.461 2.141 10 0 DEAERO COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2Cc2nc(C)ccc2O)c1 ZINC000282689010 217177604 /nfs/dbraw/zinc/17/76/04/217177604.db2.gz IVMZNUVHMIMZEA-PBHICJAKSA-N 1 0 314.385 2.412 10 0 DEAERO Cc1cc2cn[nH]c2c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000266078190 205080948 /nfs/dbraw/zinc/08/09/48/205080948.db2.gz MEGWBOWSHZIKEC-OCCSQVGLSA-N 1 0 300.406 2.426 10 0 DEAERO Brc1cnc(CN[C@@H]2CC[NH2+]C23CCC3)s1 ZINC000530179763 284361498 /nfs/dbraw/zinc/36/14/98/284361498.db2.gz WXRIFSBCBKHJJQ-MRVPVSSYSA-N 1 0 302.241 2.280 10 0 DEAERO Nc1ccc([C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000019731454 182139444 /nfs/dbraw/zinc/13/94/44/182139444.db2.gz JVKXBTSRXDIBDK-LJQANCHMSA-N 1 0 311.429 2.120 10 0 DEAERO C[C@@H]1CN([C@H](C[NH3+])c2ccccc2OC(F)F)C[C@H](C)O1 ZINC000019803238 182151751 /nfs/dbraw/zinc/15/17/51/182151751.db2.gz YTYCUDHPYYWDSF-NTZNESFSSA-N 1 0 300.349 2.397 10 0 DEAERO C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000019986430 182173515 /nfs/dbraw/zinc/17/35/15/182173515.db2.gz AIYQQQYADTYPAR-LBPRGKRZSA-N 1 0 305.447 2.381 10 0 DEAERO CC[C@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020933691 182255391 /nfs/dbraw/zinc/25/53/91/182255391.db2.gz KXFRKJOYVTYGHP-LLVKDONJSA-N 1 0 318.211 2.327 10 0 DEAERO CCN(C1(C[NH3+])CCC(C)CC1)S(=O)(=O)C1CCCC1 ZINC000097834629 193763435 /nfs/dbraw/zinc/76/34/35/193763435.db2.gz YEHYXYSFWKYQHZ-UHFFFAOYSA-N 1 0 302.484 2.488 10 0 DEAERO COC[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000458457906 248319755 /nfs/dbraw/zinc/31/97/55/248319755.db2.gz DXCRTZKBRUEMDL-DVOMOZLQSA-N 1 0 323.412 2.247 10 0 DEAERO CSc1ncc(C(=O)N(C)C2CC[NH+](C)CC2)c(Cl)n1 ZINC000039881148 183022642 /nfs/dbraw/zinc/02/26/42/183022642.db2.gz NMICWWYTKRKFFO-UHFFFAOYSA-N 1 0 314.842 2.018 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N[C@@H](c2cccs2)C2CCCC2)C1 ZINC000040632651 183111489 /nfs/dbraw/zinc/11/14/89/183111489.db2.gz TUQUZARASSXYRY-KCQAQPDRSA-N 1 0 308.447 2.473 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000040633562 183112056 /nfs/dbraw/zinc/11/20/56/183112056.db2.gz WWQJLHJJCVTDRK-AAEUAGOBSA-N 1 0 312.797 2.443 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)Cc2cccc(Cl)c2Cl)C1 ZINC000040634560 183112776 /nfs/dbraw/zinc/11/27/76/183112776.db2.gz JECSNQBFTYERDV-JQWIXIFHSA-N 1 0 317.216 2.329 10 0 DEAERO Cn1ccnc1CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000040638998 183113348 /nfs/dbraw/zinc/11/33/48/183113348.db2.gz OGBIPWQOGGCURA-UHFFFAOYSA-N 1 0 307.781 2.177 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+]CC1CC1 ZINC000040851696 183142267 /nfs/dbraw/zinc/14/22/67/183142267.db2.gz BPTYKNODCPAKGA-UHFFFAOYSA-N 1 0 310.419 2.480 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1cccc(O)c1 ZINC000492753598 249131570 /nfs/dbraw/zinc/13/15/70/249131570.db2.gz RNMRLKQYFOJWFZ-NKIGNDQYSA-N 1 0 300.402 2.491 10 0 DEAERO CCN(Cc1csc(NC(C)=O)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748155 183128600 /nfs/dbraw/zinc/12/86/00/183128600.db2.gz OTVAIJYRROHQFS-ONXXMXGDSA-N 1 0 308.451 2.206 10 0 DEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000040750086 183128615 /nfs/dbraw/zinc/12/86/15/183128615.db2.gz CWDXHUBZGFEDSJ-CLYYMRHHSA-N 1 0 311.788 2.372 10 0 DEAERO C[C@H]([NH3+])c1noc(-c2ccc(I)cc2)n1 ZINC000041052353 183159420 /nfs/dbraw/zinc/15/94/20/183159420.db2.gz ATCKZZXGNRATOF-LURJTMIESA-N 1 0 315.114 2.361 10 0 DEAERO C[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)C1CCOCC1 ZINC000162403194 291681656 /nfs/dbraw/zinc/68/16/56/291681656.db2.gz SOSLAHQBFLROSM-AWEZNQCLSA-N 1 0 304.434 2.427 10 0 DEAERO C[NH+](C)CCNC(=O)c1cc(C2CC2)n(-c2ccc(F)cc2)n1 ZINC000041453154 183192078 /nfs/dbraw/zinc/19/20/78/183192078.db2.gz JFCAXCPVVBZYIF-UHFFFAOYSA-N 1 0 316.380 2.180 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(C)cc1C ZINC000041604072 183209501 /nfs/dbraw/zinc/20/95/01/183209501.db2.gz YXMJRELKGQKMIJ-AWEZNQCLSA-N 1 0 305.422 2.088 10 0 DEAERO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042166388 183238037 /nfs/dbraw/zinc/23/80/37/183238037.db2.gz CQSAWNFSMRITIL-NSHDSACASA-N 1 0 309.797 2.122 10 0 DEAERO CC[C@H](C)NC(=O)COc1c(Br)cccc1C[NH3+] ZINC000042411379 183265146 /nfs/dbraw/zinc/26/51/46/183265146.db2.gz SSIWWJGXUOWAEY-VIFPVBQESA-N 1 0 315.211 2.201 10 0 DEAERO CC(C)[NH2+]Cc1cccc(Br)c1O[C@H](C)C(N)=O ZINC000042411853 183265884 /nfs/dbraw/zinc/26/58/84/183265884.db2.gz UZPRMZDQIGFZFS-SECBINFHSA-N 1 0 315.211 2.200 10 0 DEAERO CCNC(=O)COc1c(Br)cccc1C[NH2+]CC ZINC000042411686 183266067 /nfs/dbraw/zinc/26/60/67/183266067.db2.gz RTLUHUYMWOTDCF-UHFFFAOYSA-N 1 0 315.211 2.074 10 0 DEAERO CC1(C)COCCN1[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042461404 183272583 /nfs/dbraw/zinc/27/25/83/183272583.db2.gz MEONEHXBAQIXBS-VIFPVBQESA-N 1 0 303.200 2.153 10 0 DEAERO CC(C)(C)[NH+]1CCN(C(=O)c2cc(Br)c[nH]2)CC1 ZINC000042371316 183260584 /nfs/dbraw/zinc/26/05/84/183260584.db2.gz GHYSNDSZSQXEDC-UHFFFAOYSA-N 1 0 314.227 2.334 10 0 DEAERO CNC(=O)[C@H]1CCCN1c1cccc(Cl)c1C[NH2+]C1CC1 ZINC000042395667 183263477 /nfs/dbraw/zinc/26/34/77/183263477.db2.gz FNEOJSNBJIBMDB-OAHLLOKOSA-N 1 0 307.825 2.307 10 0 DEAERO CCN(CC(F)(F)F)[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000042739528 183303722 /nfs/dbraw/zinc/30/37/22/183303722.db2.gz FNALKVNBXAFYDE-JTQLQIEISA-N 1 0 303.328 2.357 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccccc1)N1CCN(c2nccs2)CC1 ZINC000042900900 183317519 /nfs/dbraw/zinc/31/75/19/183317519.db2.gz LZNFHDFWFLMWEV-ZFWWWQNUSA-N 1 0 302.447 2.354 10 0 DEAERO CNC(=O)C1CCN([C@H](c2cccc(Cl)c2)[C@H](C)[NH3+])CC1 ZINC000043014557 183327670 /nfs/dbraw/zinc/32/76/70/183327670.db2.gz KUSQUUXOSHZWSK-NHYWBVRUSA-N 1 0 309.841 2.186 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCS(=O)CC1 ZINC000043015657 183327742 /nfs/dbraw/zinc/32/77/42/183327742.db2.gz NBUFDNBGRTVMIK-KBPBESRZSA-N 1 0 300.855 2.183 10 0 DEAERO COCCN(CCOC)[C@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043014672 183327822 /nfs/dbraw/zinc/32/78/22/183327822.db2.gz DRQMPSHWFKJSFD-DOMZBBRYSA-N 1 0 300.830 2.323 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(CC(N)=O)C1CCCC1 ZINC000043015964 183327967 /nfs/dbraw/zinc/32/79/67/183327967.db2.gz ABQGUYAHVHPELO-ZBEGNZNMSA-N 1 0 309.841 2.458 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1cccc(Cl)c1 ZINC000043019694 183328860 /nfs/dbraw/zinc/32/88/60/183328860.db2.gz PEHYNGMMBUOGPY-JMCQJSRRSA-N 1 0 310.810 2.186 10 0 DEAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N(CC)[C@@H](C)COC)c1 ZINC000042782204 183308224 /nfs/dbraw/zinc/30/82/24/183308224.db2.gz QBFSHKVXJNMBOD-SWLSCSKDSA-N 1 0 314.451 2.142 10 0 DEAERO CCN([C@H](C)COC)S(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000042782202 183308528 /nfs/dbraw/zinc/30/85/28/183308528.db2.gz APTZPBPICNWBPC-CHWSQXEVSA-N 1 0 314.451 2.013 10 0 DEAERO CCC[NH2+][C@@H](C)c1ccccc1NS(=O)(=O)CCOC ZINC000042808993 183311308 /nfs/dbraw/zinc/31/13/08/183311308.db2.gz BLYOPNNAOOELJS-LBPRGKRZSA-N 1 0 300.424 2.135 10 0 DEAERO CCNC(=O)CN(CC)[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043253637 183348291 /nfs/dbraw/zinc/34/82/91/183348291.db2.gz OBYPZVGJGYDOAG-NOZJJQNGSA-N 1 0 303.859 2.248 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CCC(O)CC1 ZINC000043284550 183350524 /nfs/dbraw/zinc/35/05/24/183350524.db2.gz MLEHQINHMFWOSH-PELKAZGASA-N 1 0 319.268 2.356 10 0 DEAERO COc1ccc(Cl)c(NS(=O)(=O)C[C@H]2CCCC[NH2+]2)c1 ZINC000043318848 183354621 /nfs/dbraw/zinc/35/46/21/183354621.db2.gz LLCZFPJZVHXWLV-SNVBAGLBSA-N 1 0 318.826 2.232 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1nnnn1-c1ccccc1)C(F)(F)F ZINC000043385894 183357914 /nfs/dbraw/zinc/35/79/14/183357914.db2.gz OUGNSQYOZJULFU-CBAPKCEASA-N 1 0 303.313 2.033 10 0 DEAERO Ic1cccc(OC[C@@H]2CCC[NH2+]2)c1 ZINC000043496974 183367240 /nfs/dbraw/zinc/36/72/40/183367240.db2.gz AFZOSKCIQABXRH-JTQLQIEISA-N 1 0 303.143 2.422 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)c(F)c2)C1 ZINC000043581357 183373108 /nfs/dbraw/zinc/37/31/08/183373108.db2.gz TUPBRCSFAYJHTL-VIFPVBQESA-N 1 0 301.159 2.022 10 0 DEAERO CC(C)NS(=O)(=O)c1ccc(NCC(C)(C)[NH+](C)C)cc1 ZINC000043411834 183360383 /nfs/dbraw/zinc/36/03/83/183360383.db2.gz NJKGFOFDIQCYQF-UHFFFAOYSA-N 1 0 313.467 2.125 10 0 DEAERO Cc1cc([C@@H](C)NS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)c(C)o1 ZINC000044731568 183436267 /nfs/dbraw/zinc/43/62/67/183436267.db2.gz HZJGFPRCGLCVPE-OCCSQVGLSA-N 1 0 314.451 2.409 10 0 DEAERO COC[C@@H](C)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000189794478 335042199 /nfs/dbraw/zinc/04/21/99/335042199.db2.gz HOOKHCHUBRBWNW-AWEZNQCLSA-N 1 0 311.470 2.365 10 0 DEAERO C[C@H](C[NH2+]Cc1cc(Br)ccc1F)[S@](C)=O ZINC000159799864 197365385 /nfs/dbraw/zinc/36/53/85/197365385.db2.gz UNVIZYRYJVAGSJ-VPTHRUTESA-N 1 0 308.216 2.445 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1)[S@@](C)=O ZINC000159789544 197364200 /nfs/dbraw/zinc/36/42/00/197364200.db2.gz XJGVFYJOBZOWQB-PWJLMRLQSA-N 1 0 308.216 2.445 10 0 DEAERO C[C@H](C[NH2+]Cc1ccc(Br)c(F)c1)[S@](C)=O ZINC000159789431 197364219 /nfs/dbraw/zinc/36/42/19/197364219.db2.gz XJGVFYJOBZOWQB-VPTHRUTESA-N 1 0 308.216 2.445 10 0 DEAERO CCCN(CCC[C@](C)([NH2+]C(C)C)C(N)=O)CC(F)(F)F ZINC000045420843 183506032 /nfs/dbraw/zinc/50/60/32/183506032.db2.gz YIOVDGJQJAOIDR-ZDUSSCGKSA-N 1 0 311.392 2.283 10 0 DEAERO CC(C)[NH2+][C@](C)(CCCN(CC(F)(F)F)C(C)C)C(N)=O ZINC000045420526 183506144 /nfs/dbraw/zinc/50/61/44/183506144.db2.gz JLOMKOBZSDCFAM-CYBMUJFWSA-N 1 0 311.392 2.281 10 0 DEAERO C[C@H](Cc1ccsc1)[NH2+][C@H]1CC(=O)N(C2CCCC2)C1=O ZINC000105034571 194065622 /nfs/dbraw/zinc/06/56/22/194065622.db2.gz MWKYOJOSQPKSOP-RISCZKNCSA-N 1 0 306.431 2.339 10 0 DEAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)Nc1cccc2ncccc21 ZINC000105232247 194088442 /nfs/dbraw/zinc/08/84/42/194088442.db2.gz TTWKDRLJGCZQMG-GFCCVEGCSA-N 1 0 305.403 2.119 10 0 DEAERO CCc1cccc(OCCN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000105822746 194138623 /nfs/dbraw/zinc/13/86/23/194138623.db2.gz JRGFVHMHPYBXOR-HZPDHXFCSA-N 1 0 306.450 2.015 10 0 DEAERO O[C@@H](C[NH+]1CCC(Nc2cccnn2)CC1)c1ccccc1F ZINC000105805565 194133407 /nfs/dbraw/zinc/13/34/07/194133407.db2.gz MFVZNHLQEFDCDI-INIZCTEOSA-N 1 0 316.380 2.226 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)NCc2ccccc2Cl)c1 ZINC000105881472 194155756 /nfs/dbraw/zinc/15/57/56/194155756.db2.gz XIURKQBZTMESJQ-CYBMUJFWSA-N 1 0 320.824 2.139 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C1 ZINC000105922624 194170265 /nfs/dbraw/zinc/17/02/65/194170265.db2.gz RUEUPRMCKCYMDT-JKSUJKDBSA-N 1 0 318.465 2.483 10 0 DEAERO COCC[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000105996392 194177528 /nfs/dbraw/zinc/17/75/28/194177528.db2.gz YUHSLYXLSNTJAM-UHFFFAOYSA-N 1 0 321.602 2.277 10 0 DEAERO CCOc1ccccc1CN1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000106104633 194185250 /nfs/dbraw/zinc/18/52/50/194185250.db2.gz DEYLVEJEMGSQSN-WBVHZDCISA-N 1 0 306.450 2.362 10 0 DEAERO CC(C)Oc1ccccc1CN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000106097776 194185613 /nfs/dbraw/zinc/18/56/13/194185613.db2.gz SODHEOOYKMBNFD-JKSUJKDBSA-N 1 0 306.450 2.361 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(OC(F)F)c2)C[C@H]1C ZINC000106097982 194186320 /nfs/dbraw/zinc/18/63/20/194186320.db2.gz RORGIVJUCCUBTF-CHWSQXEVSA-N 1 0 314.376 2.175 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000106382055 194204284 /nfs/dbraw/zinc/20/42/84/194204284.db2.gz DLQZHNUJHAANQQ-AWEZNQCLSA-N 1 0 300.805 2.368 10 0 DEAERO [NH3+]C[C@H](c1cnn(-c2ccccc2)c1)N1CCCSCC1 ZINC000048896088 183694668 /nfs/dbraw/zinc/69/46/68/183694668.db2.gz SXGCSOBYKMUVLH-MRXNPFEDSA-N 1 0 302.447 2.311 10 0 DEAERO Brc1cccc(OCC[NH2+]C[C@H]2CCOC2)c1 ZINC000049596087 183745113 /nfs/dbraw/zinc/74/51/13/183745113.db2.gz FJWLDUAWQBEIIS-LLVKDONJSA-N 1 0 300.196 2.454 10 0 DEAERO CN(Cc1cccc(Cl)c1)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049631271 183749116 /nfs/dbraw/zinc/74/91/16/183749116.db2.gz VOZLAEBTSZTPLD-CQSZACIVSA-N 1 0 316.854 2.244 10 0 DEAERO C[NH2+][C@@H](C)c1cc(Cl)ccc1O[C@@H](C)C(=O)NCCOC ZINC000050209684 183777661 /nfs/dbraw/zinc/77/76/61/183777661.db2.gz PMAMAIHBJAOQCI-QWRGUYRKSA-N 1 0 314.813 2.150 10 0 DEAERO CCCN([C@](C)(CC)C[NH3+])S(=O)(=O)c1cccc(F)c1 ZINC000050093580 183773012 /nfs/dbraw/zinc/77/30/12/183773012.db2.gz FOSUUUPHTYCSNY-CQSZACIVSA-N 1 0 302.415 2.354 10 0 DEAERO CC[NH2+]CCS(=O)(=O)Nc1ccc(C)c(Br)c1 ZINC000109437518 194263274 /nfs/dbraw/zinc/26/32/74/194263274.db2.gz HKQFIRYYQVHRRX-UHFFFAOYSA-N 1 0 321.240 2.109 10 0 DEAERO CC(C)(C(N)=S)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000109471847 194266476 /nfs/dbraw/zinc/26/64/76/194266476.db2.gz DUNCHTBKZJYQSX-UHFFFAOYSA-N 1 0 304.419 2.015 10 0 DEAERO O=C(Nc1cccc(C[NH2+][C@H]2CCCOC2)c1)C(F)(F)F ZINC000109545924 194272484 /nfs/dbraw/zinc/27/24/84/194272484.db2.gz AFPOAKWRFLVHBT-LBPRGKRZSA-N 1 0 302.296 2.456 10 0 DEAERO CCc1ccc(CN2CC[NH+]([C@@H](CC)C(N)=S)CC2)cc1 ZINC000109469085 194267054 /nfs/dbraw/zinc/26/70/54/194267054.db2.gz KKXMWUIEADTXRB-INIZCTEOSA-N 1 0 305.491 2.431 10 0 DEAERO COc1cnn(C)c1[C@@H]([NH3+])Cc1ccccc1Br ZINC000159334595 197345873 /nfs/dbraw/zinc/34/58/73/197345873.db2.gz DOHKGZDUWNFORQ-NSHDSACASA-N 1 0 310.195 2.434 10 0 DEAERO CC(C)C[NH2+]C[C@@H](CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000052952232 183881835 /nfs/dbraw/zinc/88/18/35/183881835.db2.gz KCPWQLRBSXRTGL-HZPDHXFCSA-N 1 0 317.495 2.100 10 0 DEAERO Cc1ccc(C(N)=S)c(N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000110278660 194318851 /nfs/dbraw/zinc/31/88/51/194318851.db2.gz GMLJXFSYJJVTBC-CYBMUJFWSA-N 1 0 304.463 2.089 10 0 DEAERO Cc1nn(CC[NH2+][C@H](C)[C@@H]2CCCO2)c(C)c1Br ZINC000053535231 183905958 /nfs/dbraw/zinc/90/59/58/183905958.db2.gz CKSFXOHVSMZUQS-SKDRFNHKSA-N 1 0 316.243 2.420 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCSC(C)(C)C2)sc1C[NH3+] ZINC000159330675 197345641 /nfs/dbraw/zinc/34/56/41/197345641.db2.gz FGJDQYWEDXBEBC-UHFFFAOYSA-N 1 0 320.505 2.031 10 0 DEAERO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(N)=S)CC1 ZINC000110804593 194359968 /nfs/dbraw/zinc/35/99/68/194359968.db2.gz NXQKIJSJXINXGS-GFCCVEGCSA-N 1 0 305.447 2.381 10 0 DEAERO COc1cc(CN(C)[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000110928750 194371367 /nfs/dbraw/zinc/37/13/67/194371367.db2.gz VUEBFVONCPWTIU-LBPRGKRZSA-N 1 0 300.349 2.480 10 0 DEAERO CCCS(=O)(=O)c1ccc(N(CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC000110947468 194373506 /nfs/dbraw/zinc/37/35/06/194373506.db2.gz FIMBAEIQFHWYMW-OAHLLOKOSA-N 1 0 310.463 2.449 10 0 DEAERO CCCS(=O)(=O)c1ccccc1N(CC)[C@H]1CCC[NH2+]C1 ZINC000110947603 194373604 /nfs/dbraw/zinc/37/36/04/194373604.db2.gz UZSFPFCWLXBDLI-AWEZNQCLSA-N 1 0 310.463 2.449 10 0 DEAERO CCCN(CC(=O)Nc1cccnc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110946452 194373615 /nfs/dbraw/zinc/37/36/15/194373615.db2.gz KOFDAMAUEJEMII-LBPRGKRZSA-N 1 0 310.829 2.138 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](SCCS(C)(=O)=O)c1ccccc1F ZINC000111004259 194381056 /nfs/dbraw/zinc/38/10/56/194381056.db2.gz NHGNJWFJUIAVCD-OLZOCXBDSA-N 1 0 305.440 2.382 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1OCCOCCC)OCCO2 ZINC000111107641 194391179 /nfs/dbraw/zinc/39/11/79/194391179.db2.gz KKJGDMWADIHTRB-HUUCEWRRSA-N 1 0 301.427 2.093 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)COc1ccccc1O)c1ccccc1 ZINC000111130268 194393236 /nfs/dbraw/zinc/39/32/36/194393236.db2.gz HZYCQGUNLDMLTO-OAHLLOKOSA-N 1 0 314.385 2.190 10 0 DEAERO COC(=O)[C@@](C)(CCC[N@H+](C)CCOC(C)C)NC(C)C ZINC000157525212 197193540 /nfs/dbraw/zinc/19/35/40/197193540.db2.gz QNLPYJFNRCIUQA-MRXNPFEDSA-N 1 0 302.459 2.053 10 0 DEAERO Cc1ccc(C)c(NC(=O)CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061040951 184160572 /nfs/dbraw/zinc/16/05/72/184160572.db2.gz KXDVKTRDOCAKTD-UHFFFAOYSA-N 1 0 301.434 2.412 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccc(F)cc1 ZINC000061594682 184176092 /nfs/dbraw/zinc/17/60/92/184176092.db2.gz LWZQTKBAINTFMK-QPUJVOFHSA-N 1 0 308.382 2.226 10 0 DEAERO CCCn1c(S[C@@H](c2ccccc2F)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594949 184176428 /nfs/dbraw/zinc/17/64/28/184176428.db2.gz CFRYGBWBUZZMRO-BXKDBHETSA-N 1 0 310.398 2.301 10 0 DEAERO CCCn1c(S[C@H](c2cccc(C)c2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594816 184176442 /nfs/dbraw/zinc/17/64/42/184176442.db2.gz SNTDSJVFLZNNIJ-YPMHNXCESA-N 1 0 306.435 2.470 10 0 DEAERO [NH3+]C1CC(Nc2ccc(F)cc2S(=O)(=O)C(F)(F)F)C1 ZINC000061630245 184179937 /nfs/dbraw/zinc/17/99/37/184179937.db2.gz BXFUQNKPCRIEBU-UHFFFAOYSA-N 1 0 312.288 2.021 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1c1cc(Br)ccc1CO ZINC000061645472 184181415 /nfs/dbraw/zinc/18/14/15/184181415.db2.gz YENQPUJBCLWMGQ-ZDUSSCGKSA-N 1 0 313.239 2.472 10 0 DEAERO C[C@H](C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000062010856 184201151 /nfs/dbraw/zinc/20/11/51/184201151.db2.gz GIIVCESMCULOGZ-QWHCGFSZSA-N 1 0 309.841 2.153 10 0 DEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)CCCOC)NC(C)C ZINC000062034762 184202904 /nfs/dbraw/zinc/20/29/04/184202904.db2.gz CINOGTLLZGDRFL-INIZCTEOSA-N 1 0 302.459 2.055 10 0 DEAERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N(C)CCCOC)c1 ZINC000062037797 184203014 /nfs/dbraw/zinc/20/30/14/184203014.db2.gz QSJVKFOTSWHSDY-OAHLLOKOSA-N 1 0 314.451 2.014 10 0 DEAERO CCC[NH2+]C[C@H](Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000062337380 184231260 /nfs/dbraw/zinc/23/12/60/184231260.db2.gz KVXCPWGFCCGKHB-OLZOCXBDSA-N 1 0 316.492 2.045 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc2ccc(F)cc2[nH]c1=O ZINC000062347655 184231558 /nfs/dbraw/zinc/23/15/58/184231558.db2.gz QTTODYDEMVNAFS-NSHDSACASA-N 1 0 319.380 2.127 10 0 DEAERO [NH3+]CCc1ccc(OC[C@H]2CCOC2)c(Br)c1 ZINC000062703877 184248908 /nfs/dbraw/zinc/24/89/08/184248908.db2.gz GDYNCXONQZJFFW-NSHDSACASA-N 1 0 300.196 2.366 10 0 DEAERO COC(=O)[C@@H](C)Oc1ccc(C[C@@H](C)[NH3+])cc1Br ZINC000062704521 184248978 /nfs/dbraw/zinc/24/89/78/184248978.db2.gz DRLWYOQLFVGHQE-RKDXNWHRSA-N 1 0 316.195 2.279 10 0 DEAERO COCC[NH2+]Cc1ccccc1OCCOCC(F)(F)F ZINC000062729677 184250508 /nfs/dbraw/zinc/25/05/08/184250508.db2.gz VRWJTILRWULSST-UHFFFAOYSA-N 1 0 307.312 2.380 10 0 DEAERO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCCC(N)=O ZINC000062727785 184250582 /nfs/dbraw/zinc/25/05/82/184250582.db2.gz RZRACLJDMJOVAV-UHFFFAOYSA-N 1 0 314.813 2.491 10 0 DEAERO C(CSc1nnc(C2CC2)n1C1CC1)[NH2+]C1CCOCC1 ZINC000062768272 184252509 /nfs/dbraw/zinc/25/25/09/184252509.db2.gz PUDULNOZKWCUCD-UHFFFAOYSA-N 1 0 308.451 2.351 10 0 DEAERO [NH3+][C@H](CNC(=O)c1ccc(Br)o1)c1ccccc1 ZINC000062838059 184255497 /nfs/dbraw/zinc/25/54/97/184255497.db2.gz UHPLVQCVMILGLW-SNVBAGLBSA-N 1 0 309.163 2.472 10 0 DEAERO [NH3+][C@@H](CNC(=O)c1cc(Br)c[nH]1)c1ccccc1 ZINC000062837854 184255597 /nfs/dbraw/zinc/25/55/97/184255597.db2.gz KFMGLWNGIPGZNB-NSHDSACASA-N 1 0 308.179 2.207 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000062960070 184262601 /nfs/dbraw/zinc/26/26/01/184262601.db2.gz OHOMMUHMZDUSIP-AWEZNQCLSA-N 1 0 302.484 2.218 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)NCc1ccccc1Cl ZINC000063195176 184277967 /nfs/dbraw/zinc/27/79/67/184277967.db2.gz MVKJCBLZZNBNCZ-IUODEOHRSA-N 1 0 309.841 2.158 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1cccc(Br)c1 ZINC000063016831 184266883 /nfs/dbraw/zinc/26/68/83/184266883.db2.gz VREPDKNFCLZVMK-LLVKDONJSA-N 1 0 306.225 2.274 10 0 DEAERO CC[C@H]([NH3+])Cc1ccc(OCCCS(C)(=O)=O)c(Cl)c1 ZINC000063017591 184267289 /nfs/dbraw/zinc/26/72/89/184267289.db2.gz WIZQFDQQCAXFET-LBPRGKRZSA-N 1 0 319.854 2.433 10 0 DEAERO CS(=O)(=O)c1ccc(SCc2cccnc2C(N)=[NH2+])cc1 ZINC000063131383 184272278 /nfs/dbraw/zinc/27/22/78/184272278.db2.gz NQTBMFBWOHYSPK-UHFFFAOYSA-N 1 0 321.427 2.061 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000063138751 184273246 /nfs/dbraw/zinc/27/32/46/184273246.db2.gz SBOMXTWCUAUSHD-ZDUSSCGKSA-N 1 0 314.426 2.224 10 0 DEAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000063138691 184273341 /nfs/dbraw/zinc/27/33/41/184273341.db2.gz ZMLYUMNHXOMWKN-CYBMUJFWSA-N 1 0 314.426 2.224 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000063168155 184275540 /nfs/dbraw/zinc/27/55/40/184275540.db2.gz HBXJNRAUWGPIEX-GFCCVEGCSA-N 1 0 302.827 2.103 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1C ZINC000063168151 184275748 /nfs/dbraw/zinc/27/57/48/184275748.db2.gz CVBMDPSJBJUVEK-ZDUSSCGKSA-N 1 0 316.854 2.411 10 0 DEAERO C[C@@H]([NH3+])CCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000063171551 184276049 /nfs/dbraw/zinc/27/60/49/184276049.db2.gz NJXVDDQITGFAML-SSDOTTSWSA-N 1 0 314.304 2.268 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1Br ZINC000063174169 184276092 /nfs/dbraw/zinc/27/60/92/184276092.db2.gz BUYBYUVUQGPVNU-MNOVXSKESA-N 1 0 301.159 2.198 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1ccc(Br)c(F)c1 ZINC000063171969 184276124 /nfs/dbraw/zinc/27/61/24/184276124.db2.gz ALNDGDXNPMUYGN-WDEREUQCSA-N 1 0 301.159 2.198 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1cn(C)c2ncccc12 ZINC000065156016 184312730 /nfs/dbraw/zinc/31/27/30/184312730.db2.gz CMFSOCBZPKIDMF-AWEZNQCLSA-N 1 0 314.433 2.106 10 0 DEAERO CC(C)[NH2+]CC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1 ZINC000066215594 184396938 /nfs/dbraw/zinc/39/69/38/184396938.db2.gz DBDYEGZHFWBJSH-UHFFFAOYSA-N 1 0 317.433 2.495 10 0 DEAERO CC[NH2+][C@@](C)(C[C@H](C)n1ccnc1-c1cccs1)C(N)=O ZINC000068649624 184496482 /nfs/dbraw/zinc/49/64/82/184496482.db2.gz ANHIPYUVTKDVOD-NHYWBVRUSA-N 1 0 306.435 2.416 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cnc(-c2ccccn2)s1 ZINC000537214277 284987300 /nfs/dbraw/zinc/98/73/00/284987300.db2.gz VDRPTRCOLUDTRE-UHFFFAOYSA-N 1 0 304.419 2.229 10 0 DEAERO CCC[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116786495 194769660 /nfs/dbraw/zinc/76/96/60/194769660.db2.gz YTHBFBSBSXNGAC-IRXDYDNUSA-N 1 0 304.434 2.359 10 0 DEAERO COc1cc(OC)cc([C@H]2CCN(C(=O)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000119789206 195037145 /nfs/dbraw/zinc/03/71/45/195037145.db2.gz OZSDTCAOZVYYKJ-SUMWQHHRSA-N 1 0 318.417 2.162 10 0 DEAERO Cc1cc(Br)oc1C(=O)N(C)CCC[NH+](C)C ZINC000539416850 285076715 /nfs/dbraw/zinc/07/67/15/285076715.db2.gz CNFRPCCHJJPUJW-UHFFFAOYSA-N 1 0 303.200 2.374 10 0 DEAERO C[C@H](CNC(=O)N1CCO[C@H](c2cccs2)C1)[N@H+](C)C1CC1 ZINC000120165859 195109314 /nfs/dbraw/zinc/10/93/14/195109314.db2.gz QKKLIMBQFRXJOM-OCCSQVGLSA-N 1 0 323.462 2.314 10 0 DEAERO CCn1cc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)cn1 ZINC000159133785 197330659 /nfs/dbraw/zinc/33/06/59/197330659.db2.gz WYIPRWOGSIXLIN-WMLDXEAASA-N 1 0 314.433 2.253 10 0 DEAERO CCC1(CC)CN(C2CCS(=O)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000159213826 197336976 /nfs/dbraw/zinc/33/69/76/197336976.db2.gz XSIWPUUATZXDMM-CHWWFWEZSA-N 1 0 300.512 2.386 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC(C)(C)CC2)cc(C[NH3+])c1F ZINC000159113498 197328840 /nfs/dbraw/zinc/32/88/40/197328840.db2.gz AZADGENUTNTKOP-UHFFFAOYSA-N 1 0 314.426 2.404 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)NCC(C)C)cc(C)c1F ZINC000159084597 197325544 /nfs/dbraw/zinc/32/55/44/197325544.db2.gz XAXUKNMTZLGDLL-UHFFFAOYSA-N 1 0 302.415 2.178 10 0 DEAERO C[NH2+]Cc1ccc(Sc2ccc(S(C)(=O)=O)cc2)nc1 ZINC000158927490 197312190 /nfs/dbraw/zinc/31/21/90/197312190.db2.gz QZIWDSDERSWLPK-UHFFFAOYSA-N 1 0 308.428 2.356 10 0 DEAERO C[C@H](C(N)=[NH2+])N(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159036897 197320697 /nfs/dbraw/zinc/32/06/97/197320697.db2.gz FPOQXBFCUJDIOP-SSDOTTSWSA-N 1 0 304.272 2.373 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc(C)cc1C ZINC000158989615 197317265 /nfs/dbraw/zinc/31/72/65/197317265.db2.gz DZHBFJBOMYOTEO-CABCVRRESA-N 1 0 310.463 2.360 10 0 DEAERO C[C@]1(CNC(=O)c2coc(Br)c2)CCC[NH2+]C1 ZINC000272975709 210356812 /nfs/dbraw/zinc/35/68/12/210356812.db2.gz IHVGTHKIKSYAGK-LBPRGKRZSA-N 1 0 301.184 2.162 10 0 DEAERO C[NH2+][C@H](Cc1cc(OC)ccc1Br)c1cnn[nH]1 ZINC000158846019 197306796 /nfs/dbraw/zinc/30/67/96/197306796.db2.gz JPBJJCJAYWSFSX-LLVKDONJSA-N 1 0 311.183 2.079 10 0 DEAERO CCc1nnc(N2CCSC(C)(C)C2)c(C(N)=[NH2+])c1CC ZINC000158803085 197302722 /nfs/dbraw/zinc/30/27/22/197302722.db2.gz USYZAPNYYZGCPP-UHFFFAOYSA-N 1 0 307.467 2.217 10 0 DEAERO CCC[C@@H]1CCN(CCS(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000158752924 197299493 /nfs/dbraw/zinc/29/94/93/197299493.db2.gz SHIGKSJNLLKSCR-OAHLLOKOSA-N 1 0 310.463 2.041 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)c1cc(C)ccc1C)[C@H]1CCOC1 ZINC000158734284 197297210 /nfs/dbraw/zinc/29/72/10/197297210.db2.gz BCPRLACFAZLSEP-GJZGRUSLSA-N 1 0 311.447 2.092 10 0 DEAERO [NH3+]Cc1cc(C(F)(F)F)ccc1NC(=O)N[C@@H]1CCOC1 ZINC000158349033 197264460 /nfs/dbraw/zinc/26/44/60/197264460.db2.gz RMMBHFYXFWIGHX-SNVBAGLBSA-N 1 0 303.284 2.075 10 0 DEAERO [NH3+]Cc1nc(-c2nc3ccccc3cc2Br)n[nH]1 ZINC000158409967 197270405 /nfs/dbraw/zinc/27/04/05/197270405.db2.gz NCQOAFXWRHYVMJ-UHFFFAOYSA-N 1 0 304.151 2.241 10 0 DEAERO COCCN(CC[NH+](C)C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000157911031 197226749 /nfs/dbraw/zinc/22/67/49/197226749.db2.gz LVULLJNRNVQAJN-UHFFFAOYSA-N 1 0 320.393 2.178 10 0 DEAERO Cn1nncc1[C@@H]([NH3+])c1ccc(Br)c(Cl)c1 ZINC000157076306 197159684 /nfs/dbraw/zinc/15/96/84/197159684.db2.gz KIGNAANDJMIBBT-JTQLQIEISA-N 1 0 301.575 2.279 10 0 DEAERO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1nnc(Cl)s1 ZINC000157141533 197165734 /nfs/dbraw/zinc/16/57/34/197165734.db2.gz XAVJYJMURRVHGH-UHFFFAOYSA-N 1 0 324.837 2.396 10 0 DEAERO CC[NH+]1CCC(Cn2c(=S)[nH]c3ccc(OC)nc32)CC1 ZINC000157040516 197156981 /nfs/dbraw/zinc/15/69/81/197156981.db2.gz XYHYTNKQUGUAQL-UHFFFAOYSA-N 1 0 306.435 2.461 10 0 DEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCC(C)(C)SC)cc1 ZINC000156873465 197146290 /nfs/dbraw/zinc/14/62/90/197146290.db2.gz KVPRTGHOHLVZLN-LLVKDONJSA-N 1 0 316.492 2.387 10 0 DEAERO C[C@@](O)(C[C@@H]1COCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000156841945 197144981 /nfs/dbraw/zinc/14/49/81/197144981.db2.gz OJGJWIFXCXCXMK-ZWNOBZJWSA-N 1 0 305.296 2.171 10 0 DEAERO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000156740782 197137695 /nfs/dbraw/zinc/13/76/95/197137695.db2.gz XZTRKNKZYBYQPB-SNVBAGLBSA-N 1 0 324.368 2.098 10 0 DEAERO CC(C)[C@@H]([NH3+])CCN(C)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000156688248 197132959 /nfs/dbraw/zinc/13/29/59/197132959.db2.gz KBWYEKXSLRWHSV-LSDHHAIUSA-N 1 0 310.463 2.210 10 0 DEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)NC[C@@H]2CCCCS2)cc1 ZINC000156469759 197116434 /nfs/dbraw/zinc/11/64/34/197116434.db2.gz IAHDJPNFEDHODL-YPMHNXCESA-N 1 0 314.476 2.270 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000156278916 197101410 /nfs/dbraw/zinc/10/14/10/197101410.db2.gz KGWARVARIKSYHQ-OAHLLOKOSA-N 1 0 321.469 2.035 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccc(C(F)(F)F)cc1C(N)=O ZINC000156246007 197097662 /nfs/dbraw/zinc/09/76/62/197097662.db2.gz NPGJLXCVTQXSLE-PSASIEDQSA-N 1 0 301.312 2.120 10 0 DEAERO [NH3+]Cc1ccc(C(=O)N2CCO[C@@H](c3cccs3)C2)cc1 ZINC000156187325 197093984 /nfs/dbraw/zinc/09/39/84/197093984.db2.gz SXILCSRFALAACV-CQSZACIVSA-N 1 0 302.399 2.421 10 0 DEAERO [NH3+]Cc1ccccc1NC(=O)C[S@@](=O)c1cccc(F)c1 ZINC000156083282 197085515 /nfs/dbraw/zinc/08/55/15/197085515.db2.gz KKJZHRCFRMHRFY-NRFANRHFSA-N 1 0 306.362 2.031 10 0 DEAERO Cc1ccccc1[S@@](=O)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000156012932 197081182 /nfs/dbraw/zinc/08/11/82/197081182.db2.gz NMNMJKSVHVZHHP-OAQYLSRUSA-N 1 0 302.399 2.200 10 0 DEAERO C[C@@H]([NH2+]Cc1cc(Br)cc2c1OCC2)[C@H](C)CO ZINC000156019462 197080700 /nfs/dbraw/zinc/08/07/00/197080700.db2.gz OIOYUIDFALWOPL-NXEZZACHSA-N 1 0 314.223 2.491 10 0 DEAERO CC(C)NC(=O)CC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155993669 197079428 /nfs/dbraw/zinc/07/94/28/197079428.db2.gz KCGDRVLZKWILCL-QGZVFWFLSA-N 1 0 304.434 2.174 10 0 DEAERO C[NH2+]C[C@H]1CCN(C(=O)c2cccc(F)c2Br)C1 ZINC000155988409 197078306 /nfs/dbraw/zinc/07/83/06/197078306.db2.gz FRYKCZQZUBGLIU-SECBINFHSA-N 1 0 315.186 2.270 10 0 DEAERO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155519445 197062790 /nfs/dbraw/zinc/06/27/90/197062790.db2.gz BGPHIUYKBIDMMP-RBSFLKMASA-N 1 0 320.437 2.292 10 0 DEAERO Cc1cccc([C@@H]2CC[N@H+](C[C@H](O)COC[C@@H]3CCCO3)C2)c1 ZINC000542321918 285218054 /nfs/dbraw/zinc/21/80/54/285218054.db2.gz QGUVOYDXYNUDHC-QYZOEREBSA-N 1 0 319.445 2.341 10 0 DEAERO Cc1cc2c(n1C[C@@H]1CCCS1(=O)=O)CC(C)(C)C[C@H]2[NH3+] ZINC000155462371 197056757 /nfs/dbraw/zinc/05/67/57/197056757.db2.gz LZSFBWXJKOHVTO-GXTWGEPZSA-N 1 0 310.463 2.346 10 0 DEAERO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000155420010 197053361 /nfs/dbraw/zinc/05/33/61/197053361.db2.gz GOYNQDSPJVSFAN-CZUORRHYSA-N 1 0 304.390 2.135 10 0 DEAERO CC(C)C(=O)N1CCC[N@H+](C[C@](C)(O)c2ccccc2)CC1 ZINC000155070548 197018780 /nfs/dbraw/zinc/01/87/80/197018780.db2.gz ZYDPYTVVPQWPAO-SFHVURJKSA-N 1 0 304.434 2.084 10 0 DEAERO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1C)C(=O)OC ZINC000155042443 197016109 /nfs/dbraw/zinc/01/61/09/197016109.db2.gz HNJWGRIOBFSNLV-RVSPLBMKSA-N 1 0 320.433 2.350 10 0 DEAERO Cc1cc(F)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120498112 195178310 /nfs/dbraw/zinc/17/83/10/195178310.db2.gz GITUDKJEWVFVEB-OCCSQVGLSA-N 1 0 321.396 2.014 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)c1 ZINC000120541536 195186267 /nfs/dbraw/zinc/18/62/67/195186267.db2.gz HSYKRWWVGPVSNM-CHWSQXEVSA-N 1 0 321.396 2.014 10 0 DEAERO Cc1nc(CCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)sc1C ZINC000120654005 195209725 /nfs/dbraw/zinc/20/97/25/195209725.db2.gz CMCVHRVPUGVDLT-FZMZJTMJSA-N 1 0 322.478 2.181 10 0 DEAERO Cc1noc(C)c1[C@@H](C)CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000151480944 196686566 /nfs/dbraw/zinc/68/65/66/196686566.db2.gz BLVMYGAGMYQDJM-SWLSCSKDSA-N 1 0 318.421 2.051 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N(C)CCC[NH+](C)C)[C@@H](C)[C@H]1OC ZINC000543683303 285302629 /nfs/dbraw/zinc/30/26/29/285302629.db2.gz IJJZJSZIKJTOKO-RBSFLKMASA-N 1 0 313.486 2.419 10 0 DEAERO COC[C@@H]1C[N@H+](C)C[C@]12CCN(Cc1ccccc1OC)C2 ZINC000248108485 257109818 /nfs/dbraw/zinc/10/98/18/257109818.db2.gz GMDDLPOGNOPVNQ-WMZOPIPTSA-N 1 0 304.434 2.095 10 0 DEAERO c1cc(CN2CCO[C@H]3[C@H]2CC[C@@H]3OCC[NH+]2CCCC2)co1 ZINC000247983306 257113612 /nfs/dbraw/zinc/11/36/12/257113612.db2.gz XWRCJFTVSNUEPF-SQNIBIBYSA-N 1 0 320.433 2.124 10 0 DEAERO COc1ccc(C[N@@H+]2C[C@@H]3CCN(c4cccnc4)C[C@@H]3C2)cn1 ZINC000247873577 257115400 /nfs/dbraw/zinc/11/54/00/257115400.db2.gz FZRCGPIFTBCJPT-IRXDYDNUSA-N 1 0 324.428 2.444 10 0 DEAERO O=C1CCCN1[C@H]1CCO[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000247848285 257116725 /nfs/dbraw/zinc/11/67/25/257116725.db2.gz FNXRXHLIJIPFPX-YOEHRIQHSA-N 1 0 320.458 2.494 10 0 DEAERO Cn1cc(C[C@@H]2[C@H]([NH+](C)C)CCN2Cc2cccc(F)c2)cn1 ZINC000503716380 257210021 /nfs/dbraw/zinc/21/00/21/257210021.db2.gz LIZZNAZYSUZLCK-QZTJIDSGSA-N 1 0 316.424 2.306 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c(C)c1 ZINC000121814030 195352391 /nfs/dbraw/zinc/35/23/91/195352391.db2.gz JWGLTXXKZGBXHJ-HNNXBMFYSA-N 1 0 319.449 2.334 10 0 DEAERO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cncnc3)C2)n1 ZINC000121982485 195385244 /nfs/dbraw/zinc/38/52/44/195385244.db2.gz PCDRFMXQOXSFKL-HNNXBMFYSA-N 1 0 311.389 2.031 10 0 DEAERO Cc1cc(C[C@H](C)[NH3+])nc(-c2ncccc2Br)n1 ZINC000122043393 195394415 /nfs/dbraw/zinc/39/44/15/195394415.db2.gz ZNLUZPNJBUEYSO-QMMMGPOBSA-N 1 0 307.195 2.499 10 0 DEAERO CCn1nc(C)c(Br)c1COCC[C@@H]1CC[NH2+]C1 ZINC000122429880 195449756 /nfs/dbraw/zinc/44/97/56/195449756.db2.gz PYCQLQNDJKIWGP-NSHDSACASA-N 1 0 316.243 2.490 10 0 DEAERO CCCC[C@H](C[NH3+])Nc1cc(Br)ccc1C(N)=O ZINC000124588828 195657322 /nfs/dbraw/zinc/65/73/22/195657322.db2.gz PGGYSOFZCUEYSE-SNVBAGLBSA-N 1 0 314.227 2.477 10 0 DEAERO C[NH2+][C@@H]1C[C@@H](Oc2c(F)cc(F)cc2Br)[C@@H]1OC ZINC000126422208 195837671 /nfs/dbraw/zinc/83/76/71/195837671.db2.gz DQJXXKNOSCMUCJ-CKYFFXLPSA-N 1 0 322.149 2.481 10 0 DEAERO CCc1nc2c(s1)[C@@H]([NH2+]C[C@]1(CCO)CCOC1)CCC2 ZINC000125630821 195770675 /nfs/dbraw/zinc/77/06/75/195770675.db2.gz ALHAAQNSFKTXTK-LRDDRELGSA-N 1 0 310.463 2.462 10 0 DEAERO CCCCOCCOCCOCCOCCCCCC[NH3+] ZINC000127262031 195861793 /nfs/dbraw/zinc/86/17/93/195861793.db2.gz HMEUXOKRLYIPGU-UHFFFAOYSA-N 1 0 305.459 2.372 10 0 DEAERO CCO[C@H]1C[C@H](NC(=O)NCC[N@H+]2CC=C(C)CC2)C12CCC2 ZINC000545151012 285392106 /nfs/dbraw/zinc/39/21/06/285392106.db2.gz IPLJKTFUBNXCNI-HOTGVXAUSA-N 1 0 321.465 2.285 10 0 DEAERO CO[C@@H](C)CCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190622843 533324924 /nfs/dbraw/zinc/32/49/24/533324924.db2.gz DASGJGGZERTVOH-RDJZCZTQSA-N 1 0 319.449 2.177 10 0 DEAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2CCCC[C@H]2C(C)C)nn1 ZINC000329509976 533524978 /nfs/dbraw/zinc/52/49/78/533524978.db2.gz JVJUSDKWYLQUSO-YLFCFFPRSA-N 1 0 322.453 2.169 10 0 DEAERO c1nc(NCC[C@H]2CCCO2)cc(NCC[C@H]2CCCO2)n1 ZINC000121138239 132152373 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2.365 10 0 DEAERO c1cnc(N2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)nc1 ZINC000359592882 285546452 /nfs/dbraw/zinc/54/64/52/285546452.db2.gz ZSWYHUJYEWSXSG-MRXNPFEDSA-N 1 0 308.429 2.404 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360491967 133185292 /nfs/dbraw/zinc/18/52/92/133185292.db2.gz OUQLRYNVQIULCL-UHFFFAOYSA-N 1 0 303.410 2.046 10 0 DEAERO CCS[C@@H]1CCC[C@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000361917010 133199492 /nfs/dbraw/zinc/19/94/92/133199492.db2.gz VRDDUNRYDZYBRD-LSDHHAIUSA-N 1 0 322.478 2.279 10 0 DEAERO O[C@H](CN1CCO[C@@H](COc2ccccc2)C1)CC(F)(F)F ZINC000361984791 133203286 /nfs/dbraw/zinc/20/32/86/133203286.db2.gz LHQURZGVVOMTAP-GXTWGEPZSA-N 1 0 319.323 2.080 10 0 DEAERO COC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362353098 133225979 /nfs/dbraw/zinc/22/59/79/133225979.db2.gz LPMGDHFBQWWHHV-CYBMUJFWSA-N 1 0 322.380 2.348 10 0 DEAERO c1cnn(-c2ccc(C[NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)cc2)c1 ZINC000373150743 133379807 /nfs/dbraw/zinc/37/98/07/133379807.db2.gz 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CCCOc1cc(OC)ccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191584245 145060968 /nfs/dbraw/zinc/06/09/68/145060968.db2.gz FQGUEKMMMOLILE-CQSZACIVSA-N 1 0 318.417 2.404 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000191824175 145065223 /nfs/dbraw/zinc/06/52/23/145065223.db2.gz XOEJUUVWTZCJFT-SUNKGSAMSA-N 1 0 315.410 2.305 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(Cc2cc(OC)ccc2Cl)CC1 ZINC000192046047 145069997 /nfs/dbraw/zinc/06/99/97/145069997.db2.gz YONNXNMEAIKQGK-CQSZACIVSA-N 1 0 312.841 2.237 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(F)cc1)[C@H]1CCCO1 ZINC000193128709 145083110 /nfs/dbraw/zinc/08/31/10/145083110.db2.gz WMHQSRWFQYLASL-DVOMOZLQSA-N 1 0 308.397 2.030 10 0 DEAERO NC(=O)[C@@H]1CCC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193298084 145084087 /nfs/dbraw/zinc/08/40/87/145084087.db2.gz IBPXUURFQDNGEG-CVEARBPZSA-N 1 0 302.418 2.188 10 0 DEAERO CC(C)OC(=O)c1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000193607203 145087526 /nfs/dbraw/zinc/08/75/26/145087526.db2.gz SGRDIWOBUBDOSU-CALCHBBNSA-N 1 0 302.418 2.245 10 0 DEAERO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193609535 145087710 /nfs/dbraw/zinc/08/77/10/145087710.db2.gz LUVOKOVEDIYLIU-MCIONIFRSA-N 1 0 321.852 2.469 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1ccccc1F ZINC000245439273 145092534 /nfs/dbraw/zinc/09/25/34/145092534.db2.gz SRQCIVWCZQGPAW-HOTGVXAUSA-N 1 0 319.424 2.001 10 0 DEAERO C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[C@H]1COc2ccccc21 ZINC000246221175 145095324 /nfs/dbraw/zinc/09/53/24/145095324.db2.gz FKXDQOUAINWTTM-OFQRWUPVSA-N 1 0 315.417 2.041 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](c3ccccc3)C2)C1 ZINC000246303257 145097796 /nfs/dbraw/zinc/09/77/96/145097796.db2.gz LTDWFYZNRCCFFJ-NVXWUHKLSA-N 1 0 322.474 2.148 10 0 DEAERO Cc1cccc(C)c1NC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246309991 145097950 /nfs/dbraw/zinc/09/79/50/145097950.db2.gz AHRDPCPOTLJSRJ-HOTGVXAUSA-N 1 0 301.434 2.410 10 0 DEAERO 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Cc1cc(F)cc(C)c1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000261596918 145209331 /nfs/dbraw/zinc/20/93/31/145209331.db2.gz XMIXQQPLCYNYMD-LBPRGKRZSA-N 1 0 302.415 2.094 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261647488 145213142 /nfs/dbraw/zinc/21/31/42/145213142.db2.gz XPRZIOKLGNEZKC-CYBMUJFWSA-N 1 0 302.827 2.008 10 0 DEAERO COc1cccc(SCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261673487 145215615 /nfs/dbraw/zinc/21/56/15/145215615.db2.gz AGQPRKBCCFLMBR-AWEZNQCLSA-N 1 0 308.447 2.373 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2ccnc(N3CC[C@@H](C)C3)c2)n1 ZINC000261679793 145216441 /nfs/dbraw/zinc/21/64/41/145216441.db2.gz GVVCAVKBQUJPHG-VXGBXAGGSA-N 1 0 301.394 2.128 10 0 DEAERO COc1ccc(O[C@@H](C)C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261689663 145216734 /nfs/dbraw/zinc/21/67/34/145216734.db2.gz DBERIDVPQWCAIY-SWLSCSKDSA-N 1 0 306.406 2.048 10 0 DEAERO c1cncc([C@H]2C[NH2+]CCN2CCc2ccc3c(c2)CCO3)c1 ZINC000261699211 145218558 /nfs/dbraw/zinc/21/85/58/145218558.db2.gz JOIZDZUAWDRKHH-GOSISDBHSA-N 1 0 309.413 2.206 10 0 DEAERO C[C@H]([NH3+])CC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000261717491 145219580 /nfs/dbraw/zinc/21/95/80/145219580.db2.gz DXPUTPJDDPRWLK-NSHDSACASA-N 1 0 303.337 2.367 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000261740320 145222302 /nfs/dbraw/zinc/22/23/02/145222302.db2.gz DHEHMIVOAKWSSX-QWRGUYRKSA-N 1 0 311.451 2.358 10 0 DEAERO CO[C@H]1CCN(Cc2cnc(C(F)(F)F)s2)[C@@H](C[NH3+])C1 ZINC000261758807 145223290 /nfs/dbraw/zinc/22/32/90/145223290.db2.gz CSRSOQWDGKMARQ-BDAKNGLRSA-N 1 0 309.357 2.100 10 0 DEAERO COc1cccc(Oc2ccc(CNC3=[NH+]CCCN3)cn2)c1 ZINC000261769238 145224317 /nfs/dbraw/zinc/22/43/17/145224317.db2.gz MMBUITJCCNWDPM-UHFFFAOYSA-N 1 0 312.373 2.321 10 0 DEAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1c[nH]c(C2CC2)n1 ZINC000261786487 145226801 /nfs/dbraw/zinc/22/68/01/145226801.db2.gz TZGIVPZVEDMRMT-UHFFFAOYSA-N 1 0 300.337 2.324 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)C1=Cc2ccccc2OC1 ZINC000261786345 145226894 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O=C(NCC1C[NH2+]C1)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000261924687 145242678 /nfs/dbraw/zinc/24/26/78/145242678.db2.gz ASURDMULYDOFCQ-LJQANCHMSA-N 1 0 321.424 2.126 10 0 DEAERO CC1(C)CN(C(=O)CCC(=O)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000261955425 145246619 /nfs/dbraw/zinc/24/66/19/145246619.db2.gz ZQECKFWFWAUMIM-OAHLLOKOSA-N 1 0 306.381 2.374 10 0 DEAERO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261960088 145247244 /nfs/dbraw/zinc/24/72/44/145247244.db2.gz PKSXQWFAJUUMHZ-ZKXLYKBJSA-N 1 0 310.482 2.184 10 0 DEAERO O=C(NCc1nc2c(s1)CCCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000261985628 145249997 /nfs/dbraw/zinc/24/99/97/145249997.db2.gz XHIDFMWSXYUAEK-NSHDSACASA-N 1 0 305.447 2.028 10 0 DEAERO Cc1nn(C)c(C)c1OCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000262020728 145253741 /nfs/dbraw/zinc/25/37/41/145253741.db2.gz NDZWFHPFONJBNM-UHFFFAOYSA-N 1 0 313.361 2.125 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1OC[C@H]1CCCCO1)C1C[NH2+]C1 ZINC000262052347 145257950 /nfs/dbraw/zinc/25/79/50/145257950.db2.gz HOMFCLFMZGMPQG-UKRRQHHQSA-N 1 0 318.417 2.429 10 0 DEAERO O=C(CC1CCC(c2ccccc2)CC1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262092826 145261039 /nfs/dbraw/zinc/26/10/39/145261039.db2.gz DFHAKIKEDWZCKH-KXIUCKCTSA-N 1 0 316.445 2.047 10 0 DEAERO Cc1ccn2c(CN3CC[NH2+]C[C@H]3c3ccncc3)cnc2c1 ZINC000262115670 145262887 /nfs/dbraw/zinc/26/28/87/145262887.db2.gz WVWUBIDNXSSSFX-KRWDZBQOSA-N 1 0 307.401 2.184 10 0 DEAERO Cc1ccc(C(=O)CCC(=O)N2CC[C@](C)(C[NH3+])C2)cc1C ZINC000262168296 145267661 /nfs/dbraw/zinc/26/76/61/145267661.db2.gz YJBRXMOHDVGWNH-GOSISDBHSA-N 1 0 302.418 2.464 10 0 DEAERO C[C@@H](C(=O)N(C)Cc1ccc(Br)s1)C1C[NH2+]C1 ZINC000262189771 145268400 /nfs/dbraw/zinc/26/84/00/145268400.db2.gz LWRLXOIPYJWKIB-MRVPVSSYSA-N 1 0 317.252 2.325 10 0 DEAERO CCN(C(=O)[C@H](C)C1C[NH2+]C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000262202141 145269625 /nfs/dbraw/zinc/26/96/25/145269625.db2.gz NERACVLGQGWCHI-ZIAGYGMSSA-N 1 0 304.434 2.330 10 0 DEAERO Brc1cccc(C2(CNC3=[NH+]CCCN3)CC2)c1 ZINC000262275519 145272583 /nfs/dbraw/zinc/27/25/83/145272583.db2.gz UPCCWSMICMWDBY-UHFFFAOYSA-N 1 0 308.223 2.420 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)c2ccnc(C[NH3+])c2)cc1F ZINC000262350253 145278471 /nfs/dbraw/zinc/27/84/71/145278471.db2.gz VCSKWGCHRJOSPY-SNVBAGLBSA-N 1 0 303.337 2.179 10 0 DEAERO COCC1(C(=O)N[C@H](C)c2c(F)cccc2OC)CC[NH2+]CC1 ZINC000262403012 145281788 /nfs/dbraw/zinc/28/17/88/145281788.db2.gz RKMUUUDQFWZKCK-GFCCVEGCSA-N 1 0 324.396 2.028 10 0 DEAERO CCc1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000262419570 145282931 /nfs/dbraw/zinc/28/29/31/145282931.db2.gz DWCDAQWKNKMCQB-JKIFEVAISA-N 1 0 322.474 2.459 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000262503527 145287956 /nfs/dbraw/zinc/28/79/56/145287956.db2.gz FIKWDVIIWZYZCK-AEBFUODCSA-N 1 0 306.356 2.468 10 0 DEAERO Cc1cnc([C@H](C)NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)s1 ZINC000262495038 145288352 /nfs/dbraw/zinc/28/83/52/145288352.db2.gz LGWOGNZSLRMLFV-PVTKRXDGSA-N 1 0 323.462 2.161 10 0 DEAERO O=C(NC1CC[NH2+]CC1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000262512242 145288697 /nfs/dbraw/zinc/28/86/97/145288697.db2.gz OTYOSNXAVWNHKP-UONOGXRCSA-N 1 0 323.234 2.421 10 0 DEAERO O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000262511203 145288733 /nfs/dbraw/zinc/28/87/33/145288733.db2.gz JPUSMTBNBXPBIM-IKGGRYGDSA-N 1 0 302.418 2.208 10 0 DEAERO O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000262511205 145289131 /nfs/dbraw/zinc/28/91/31/145289131.db2.gz JPUSMTBNBXPBIM-ZACQAIPSSA-N 1 0 302.418 2.208 10 0 DEAERO COc1cccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262528278 145290777 /nfs/dbraw/zinc/29/07/77/145290777.db2.gz PDZLQBDDPNMFCH-OIISXLGYSA-N 1 0 302.418 2.275 10 0 DEAERO COC(=O)C1(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CCC(C)CC1 ZINC000262648795 145298079 /nfs/dbraw/zinc/29/80/79/145298079.db2.gz ULPDNAIYACOUOS-DIODGJHASA-N 1 0 324.465 2.250 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000262742334 145302945 /nfs/dbraw/zinc/30/29/45/145302945.db2.gz CSPNVTGIEMENKR-LRDDRELGSA-N 1 0 304.415 2.116 10 0 DEAERO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262808944 145306392 /nfs/dbraw/zinc/30/63/92/145306392.db2.gz OPWZDLPLDQLKMM-MWLCHTKSSA-N 1 0 305.403 2.439 10 0 DEAERO Fc1ccc(Oc2ccnc(CNC3=[NH+]CCCN3)c2)cc1 ZINC000263134046 145328083 /nfs/dbraw/zinc/32/80/83/145328083.db2.gz HLMCYSKSVYZJPS-UHFFFAOYSA-N 1 0 300.337 2.452 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2c(F)cccc2Cl)n1 ZINC000263173501 145332483 /nfs/dbraw/zinc/33/24/83/145332483.db2.gz FZUNTKSXRZPKFU-GFCCVEGCSA-N 1 0 310.760 2.029 10 0 DEAERO C[C@H]1CCc2sc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)cc2C1 ZINC000263200640 145335380 /nfs/dbraw/zinc/33/53/80/145335380.db2.gz JAIRNQIPVDRXMR-JQWIXIFHSA-N 1 0 318.446 2.499 10 0 DEAERO CN(C(=O)c1ncccc1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000336811051 145398489 /nfs/dbraw/zinc/39/84/89/145398489.db2.gz KVPCNIHAELJDME-LBPRGKRZSA-N 1 0 324.222 2.010 10 0 DEAERO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)CCOCC1 ZINC000453132285 292148336 /nfs/dbraw/zinc/14/83/36/292148336.db2.gz YAXQRECAAPHLFR-STQMWFEESA-N 1 0 321.421 2.412 10 0 DEAERO C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)c1ccc(Cl)s1 ZINC000348261443 146243859 /nfs/dbraw/zinc/24/38/59/146243859.db2.gz MHRNORSZECMQKQ-VIFPVBQESA-N 1 0 310.872 2.334 10 0 DEAERO C[C@@H]1CCCC[C@H]1CCNC(=O)NCCNc1cc[nH+]cc1 ZINC000358626527 147168872 /nfs/dbraw/zinc/16/88/72/147168872.db2.gz IILGQIDEYYGOQA-CABCVRRESA-N 1 0 304.438 2.431 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000358630130 147169254 /nfs/dbraw/zinc/16/92/54/147169254.db2.gz AWSARIOPRXWEED-HNNXBMFYSA-N 1 0 317.437 2.298 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NCc1coc2ccccc12 ZINC000358632164 147169721 /nfs/dbraw/zinc/16/97/21/147169721.db2.gz JIAAIAYESLCEIK-UHFFFAOYSA-N 1 0 310.357 2.161 10 0 DEAERO COC(=O)[C@@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000358664461 147177117 /nfs/dbraw/zinc/17/71/17/147177117.db2.gz UBOPBHUCZPSACU-ROUUACIJSA-N 1 0 316.445 2.438 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC(C)(CCOC)C2)CC1 ZINC000358947043 147235550 /nfs/dbraw/zinc/23/55/50/147235550.db2.gz QCCSWBULAJQCDF-UHFFFAOYSA-N 1 0 311.470 2.176 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000359138358 147269835 /nfs/dbraw/zinc/26/98/35/147269835.db2.gz KVUBOHAVADPFCQ-RDJZCZTQSA-N 1 0 304.434 2.270 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CCN([C@H](C)c2ccsc2)CC1 ZINC000360632771 147363466 /nfs/dbraw/zinc/36/34/66/147363466.db2.gz KMSNWWOVAYDISX-IUODEOHRSA-N 1 0 308.447 2.378 10 0 DEAERO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)cn1 ZINC000369484985 147915991 /nfs/dbraw/zinc/91/59/91/147915991.db2.gz OQBLCOFCAUWWID-CYBMUJFWSA-N 1 0 311.389 2.468 10 0 DEAERO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000370306282 148004736 /nfs/dbraw/zinc/00/47/36/148004736.db2.gz UUWTYWHHSVCRTN-LSDHHAIUSA-N 1 0 318.465 2.314 10 0 DEAERO COc1cccc(C[NH2+]C[C@H]2CCCN2c2cccnn2)c1F ZINC000370585987 148032942 /nfs/dbraw/zinc/03/29/42/148032942.db2.gz ZHIRPOVHSYSLEC-CQSZACIVSA-N 1 0 316.380 2.383 10 0 DEAERO O=C(COCc1ccccc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371231173 148075688 /nfs/dbraw/zinc/07/56/88/148075688.db2.gz OJONBKMXBOQPIG-SJORKVTESA-N 1 0 302.418 2.194 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cccc3c2OCCC3)C1 ZINC000372316893 148193776 /nfs/dbraw/zinc/19/37/76/148193776.db2.gz TVSGOHPVCPMQTC-ZDUSSCGKSA-N 1 0 303.406 2.427 10 0 DEAERO CCn1cc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cn1 ZINC000374789991 148290088 /nfs/dbraw/zinc/29/00/88/148290088.db2.gz ASMWFMOAJPSUHE-LZWOXQAQSA-N 1 0 307.438 2.121 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000374991785 148313754 /nfs/dbraw/zinc/31/37/54/148313754.db2.gz ZFVLAVAPPKBXEG-CYBMUJFWSA-N 1 0 308.447 2.134 10 0 DEAERO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000375471171 148377219 /nfs/dbraw/zinc/37/72/19/148377219.db2.gz PYHNAUXESUVBKI-OWSLCNJRSA-N 1 0 311.466 2.180 10 0 DEAERO Cc1nccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)n1 ZINC000375626656 148393326 /nfs/dbraw/zinc/39/33/26/148393326.db2.gz HCRBXVXMLFIPHG-UHFFFAOYSA-N 1 0 315.392 2.494 10 0 DEAERO C[C@H]1CCC[C@H](NC(=O)N2CCC([N@H+](C)CCO)CC2)CC1 ZINC000408434142 148604256 /nfs/dbraw/zinc/60/42/56/148604256.db2.gz FNTBGGWNABTJBO-GJZGRUSLSA-N 1 0 311.470 2.053 10 0 DEAERO O=c1[nH]c2ccccc2c(=O)n1CCCCC[NH+]1CCCCC1 ZINC000111672649 401720913 /nfs/dbraw/zinc/72/09/13/401720913.db2.gz QQKPXAULQHASNS-UHFFFAOYSA-N 1 0 315.417 2.346 10 0 DEAERO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCCC1=O ZINC000111682935 401721148 /nfs/dbraw/zinc/72/11/48/401721148.db2.gz OJDYHHRDUPTYDV-NVXWUHKLSA-N 1 0 304.434 2.270 10 0 DEAERO O=C(CCN1CCO[C@@H](c2cccc(O)c2)C1)NC1CCCC1 ZINC000127220511 401725225 /nfs/dbraw/zinc/72/52/25/401725225.db2.gz UDBCACYABZYZCY-QGZVFWFLSA-N 1 0 318.417 2.214 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2C[C@H](C)O[C@@H](CC)C2)CC1 ZINC000111847418 401725943 /nfs/dbraw/zinc/72/59/43/401725943.db2.gz XLEHRCWEPRCGLN-HOCLYGCPSA-N 1 0 311.470 2.317 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1c2ccccc2C[C@H]1C ZINC000111865939 401726672 /nfs/dbraw/zinc/72/66/72/401726672.db2.gz XYQCVSQGDYWPOY-ZBFHGGJFSA-N 1 0 317.433 2.258 10 0 DEAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC000074317824 401735438 /nfs/dbraw/zinc/73/54/38/401735438.db2.gz HITKTZMAMPTKSD-LLVKDONJSA-N 1 0 312.435 2.053 10 0 DEAERO COCC1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000112401644 401743428 /nfs/dbraw/zinc/74/34/28/401743428.db2.gz YKYAALOCQHSIHC-QGZVFWFLSA-N 1 0 304.434 2.044 10 0 DEAERO CC(C)(C)c1ccc(C[NH2+]CCCNS(C)(=O)=O)s1 ZINC000126331745 401689713 /nfs/dbraw/zinc/68/97/13/401689713.db2.gz SUKQFSGLTQGAIR-UHFFFAOYSA-N 1 0 304.481 2.075 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)NCCc2cc(F)ccc2F)C[N@@H+]1C1CC1 ZINC000126444859 401694614 /nfs/dbraw/zinc/69/46/14/401694614.db2.gz LIXQQTXPICYXTH-BXUZGUMPSA-N 1 0 323.387 2.432 10 0 DEAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)cc1F ZINC000126621646 401701793 /nfs/dbraw/zinc/70/17/93/401701793.db2.gz XFULBYHPWMMYRZ-QWRGUYRKSA-N 1 0 307.369 2.161 10 0 DEAERO CCOCCN1CC[N@H+](CCCCCn2cc(C)cn2)C[C@@H]1C ZINC000111228065 401702172 /nfs/dbraw/zinc/70/21/72/401702172.db2.gz LMRCXXJSCFOIRJ-SFHVURJKSA-N 1 0 322.497 2.404 10 0 DEAERO CCC[C@](C)(O)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000126653132 401703132 /nfs/dbraw/zinc/70/31/32/401703132.db2.gz PFKHIOLAUVIAGX-KRWDZBQOSA-N 1 0 305.422 2.026 10 0 DEAERO CNC(=O)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000111267942 401705897 /nfs/dbraw/zinc/70/58/97/401705897.db2.gz GLNFITCUSRSFID-CYBMUJFWSA-N 1 0 317.364 2.439 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Br)c[nH]2)CC[N@@H+]1C ZINC000127726460 401747540 /nfs/dbraw/zinc/74/75/40/401747540.db2.gz WKEAFYSXPQGGTE-ONGXEEELSA-N 1 0 314.227 2.332 10 0 DEAERO Cc1ccccc1CS(=O)(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000111329016 401711657 /nfs/dbraw/zinc/71/16/57/401711657.db2.gz VEYQBFVCNQYITL-OAHLLOKOSA-N 1 0 310.463 2.289 10 0 DEAERO COCCOC[C@H]1CC[N@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000072796782 401712141 /nfs/dbraw/zinc/71/21/41/401712141.db2.gz XOTFGWXENFGNFH-HNNXBMFYSA-N 1 0 315.417 2.423 10 0 DEAERO CN(C[C@H]1CCCO1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000077003273 401802705 /nfs/dbraw/zinc/80/27/05/401802705.db2.gz PEXCDWOQZAPLKS-HZPDHXFCSA-N 1 0 323.412 2.249 10 0 DEAERO Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC000077007212 401803024 /nfs/dbraw/zinc/80/30/24/401803024.db2.gz CVHHUGVHLIOKLV-IRXDYDNUSA-N 1 0 319.449 2.418 10 0 DEAERO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000566128389 292208392 /nfs/dbraw/zinc/20/83/92/292208392.db2.gz BSAJVBVLCPZLGO-FDQGKXFDSA-N 1 0 305.418 2.336 10 0 DEAERO CC[NH+](CC)Cc1cccc(CNC(=O)NCC2(C)COC2)c1 ZINC000112715848 401755843 /nfs/dbraw/zinc/75/58/43/401755843.db2.gz LPURFBOHSGXGEF-UHFFFAOYSA-N 1 0 319.449 2.364 10 0 DEAERO C[C@H](CC1CC1)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000112719603 401756476 /nfs/dbraw/zinc/75/64/76/401756476.db2.gz GTVNXARGHARVCC-CQSZACIVSA-N 1 0 322.497 2.033 10 0 DEAERO CC1(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)COC1 ZINC000112723147 401756592 /nfs/dbraw/zinc/75/65/92/401756592.db2.gz LSDOLSRFMRGBEH-INIZCTEOSA-N 1 0 317.433 2.159 10 0 DEAERO COC[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000112939395 401762183 /nfs/dbraw/zinc/76/21/83/401762183.db2.gz SXAJBDKODVWXNC-SJORKVTESA-N 1 0 304.434 2.044 10 0 DEAERO C[N@H+](Cc1ccccc1N1CCCC1)[C@H]1CCCCNC1=O ZINC000009976413 401767303 /nfs/dbraw/zinc/76/73/03/401767303.db2.gz YOBXZLLOGLMUGF-KRWDZBQOSA-N 1 0 301.434 2.387 10 0 DEAERO CCOc1cc(C(=O)NCCCC[NH+]2CCOCC2)ccc1C ZINC000113149413 401768162 /nfs/dbraw/zinc/76/81/62/401768162.db2.gz CHHSZPJNBHRKEO-UHFFFAOYSA-N 1 0 320.433 2.236 10 0 DEAERO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000075828025 401769636 /nfs/dbraw/zinc/76/96/36/401769636.db2.gz NSCTVHDRBQRKFQ-QAPCUYQASA-N 1 0 304.434 2.132 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000113224292 401770790 /nfs/dbraw/zinc/77/07/90/401770790.db2.gz MJEJCBBFRSLERQ-NWDGAFQWSA-N 1 0 316.430 2.447 10 0 DEAERO Cc1nn(C)c2sc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cc12 ZINC000113224851 401770800 /nfs/dbraw/zinc/77/08/00/401770800.db2.gz PHNJGBGYHJETCL-JQWIXIFHSA-N 1 0 318.446 2.252 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000113232841 401771176 /nfs/dbraw/zinc/77/11/76/401771176.db2.gz ZZXIXTYLCMASDW-CMPLNLGQSA-N 1 0 302.353 2.011 10 0 DEAERO CC(=O)Nc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)ccc1C ZINC000113232924 401771680 /nfs/dbraw/zinc/77/16/80/401771680.db2.gz ZXAZEECMVZKPLR-XJKSGUPXSA-N 1 0 315.417 2.262 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1ccc(Cl)cc1 ZINC000113270065 401773939 /nfs/dbraw/zinc/77/39/39/401773939.db2.gz OEAFYZUUFWGOKU-CZUORRHYSA-N 1 0 321.852 2.125 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)s1 ZINC000113305327 401776127 /nfs/dbraw/zinc/77/61/27/401776127.db2.gz BAAHWJDCYRRTFF-GXFFZTMASA-N 1 0 314.476 2.222 10 0 DEAERO Nc1nc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)nc2ccccc12 ZINC000128451004 401777106 /nfs/dbraw/zinc/77/71/06/401777106.db2.gz BRUBGYDOYFWOLW-ACJLOTCBSA-N 1 0 312.417 2.339 10 0 DEAERO C[NH+]1CCC(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000113413971 401778807 /nfs/dbraw/zinc/77/88/07/401778807.db2.gz WLPGHELASNIDFY-UHFFFAOYSA-N 1 0 317.364 2.234 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc(OC)n1 ZINC000113608302 401783739 /nfs/dbraw/zinc/78/37/39/401783739.db2.gz MIUZZCMHLDYNJI-HNNXBMFYSA-N 1 0 320.437 2.154 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c(C)noc1C1CC1 ZINC000129889442 401810955 /nfs/dbraw/zinc/81/09/55/401810955.db2.gz GEPCQAKMOGKXIK-ZDUSSCGKSA-N 1 0 322.409 2.093 10 0 DEAERO CC[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000128872264 401795068 /nfs/dbraw/zinc/79/50/68/401795068.db2.gz QCOSIOCNRPEQHR-HZPDHXFCSA-N 1 0 309.454 2.214 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000076490380 401796528 /nfs/dbraw/zinc/79/65/28/401796528.db2.gz RPMQGSNXFBSAHF-CXAGYDPISA-N 1 0 320.481 2.158 10 0 DEAERO Cc1nc(C[C@@H]2CCC[N@H+](CCNC(=O)OC(C)(C)C)C2)no1 ZINC000130126323 401819384 /nfs/dbraw/zinc/81/93/84/401819384.db2.gz PYRONDMDFOIFNM-ZDUSSCGKSA-N 1 0 324.425 2.157 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)NCc2cccnc2)ccc1F ZINC000115695051 401835499 /nfs/dbraw/zinc/83/54/99/401835499.db2.gz QGVSCNPBUYYRSC-UHFFFAOYSA-N 1 0 316.380 2.282 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000130630626 401836266 /nfs/dbraw/zinc/83/62/66/401836266.db2.gz WTDFQYCXTPXAOH-ZDUSSCGKSA-N 1 0 316.409 2.119 10 0 DEAERO Cn1cc([C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)cn1 ZINC000116113307 401842087 /nfs/dbraw/zinc/84/20/87/401842087.db2.gz MUWRZQHCTJWUJV-INIZCTEOSA-N 1 0 312.417 2.111 10 0 DEAERO Cc1ccn2ncc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c2n1 ZINC000116130134 401842911 /nfs/dbraw/zinc/84/29/11/401842911.db2.gz OTFCDPHMMVQWBT-AWEZNQCLSA-N 1 0 317.437 2.134 10 0 DEAERO CS[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000116244695 401846863 /nfs/dbraw/zinc/84/68/63/401846863.db2.gz QJUBGKKNXGXTJY-NFAWXSAZSA-N 1 0 307.463 2.160 10 0 DEAERO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116309909 401848300 /nfs/dbraw/zinc/84/83/00/401848300.db2.gz FWPSYAMIZHNCOE-CABCVRRESA-N 1 0 306.454 2.102 10 0 DEAERO Cn1cc([C@@H]2CC[N@@H+]([C@H](C(=O)NC3CC3)c3ccccc3)C2)cn1 ZINC000116310905 401848415 /nfs/dbraw/zinc/84/84/15/401848415.db2.gz CAJKHLSXGNXGPO-QAPCUYQASA-N 1 0 324.428 2.229 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](CCC(=O)Nc3ccc(F)cc3)C2)cn1 ZINC000116317405 401849261 /nfs/dbraw/zinc/84/92/61/401849261.db2.gz DVBZNQSAZXWSEG-ZDUSSCGKSA-N 1 0 316.380 2.377 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116318803 401849534 /nfs/dbraw/zinc/84/95/34/401849534.db2.gz GTNLSRCKSKXDSZ-HLLBOEOZSA-N 1 0 318.465 2.389 10 0 DEAERO CCN(C(=O)NCCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000079392149 401872210 /nfs/dbraw/zinc/87/22/10/401872210.db2.gz UOYACQQZXIZBBL-UHFFFAOYSA-N 1 0 311.470 2.463 10 0 DEAERO Cc1ccc(CCC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000131552539 401852457 /nfs/dbraw/zinc/85/24/57/401852457.db2.gz CMEADTHIKJGPMC-GOSISDBHSA-N 1 0 318.461 2.281 10 0 DEAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000028878358 401853226 /nfs/dbraw/zinc/85/32/26/401853226.db2.gz ISTHJDCXWGCOAW-JGVFFNPUSA-N 1 0 318.204 2.488 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(OC)c(C)c1 ZINC000030375367 401862878 /nfs/dbraw/zinc/86/28/78/401862878.db2.gz OSARNDDXGZEUFY-ZDUSSCGKSA-N 1 0 314.451 2.012 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000117036174 401867020 /nfs/dbraw/zinc/86/70/20/401867020.db2.gz JTUCIAPJLLBRDU-GDBMZVCRSA-N 1 0 305.422 2.028 10 0 DEAERO Cc1cc(C)cc([C@H](C)NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000117047449 401867592 /nfs/dbraw/zinc/86/75/92/401867592.db2.gz AKBIHHPZVSVTTM-DOTOQJQBSA-N 1 0 319.449 2.336 10 0 DEAERO CC(C)OC(=O)c1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000135040985 401925009 /nfs/dbraw/zinc/92/50/09/401925009.db2.gz QAVLMHYCGDEWTL-BBRMVZONSA-N 1 0 318.417 2.338 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NCC2(O)CCCCC2)CC1 ZINC000119128341 401927903 /nfs/dbraw/zinc/92/79/03/401927903.db2.gz MHLWZPAKBAAANT-UHFFFAOYSA-N 1 0 311.470 2.101 10 0 DEAERO CCC[C@H](C(=O)NCc1cccnc1OCC(F)F)[NH+](C)C ZINC000135245590 401931898 /nfs/dbraw/zinc/93/18/98/401931898.db2.gz NZRWFEMXZYLNSG-GFCCVEGCSA-N 1 0 315.364 2.072 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000119198697 401932316 /nfs/dbraw/zinc/93/23/16/401932316.db2.gz GWARQBKJCWWWMF-JKSUJKDBSA-N 1 0 309.454 2.119 10 0 DEAERO CC[C@H](COC)[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000119197279 401932584 /nfs/dbraw/zinc/93/25/84/401932584.db2.gz CCWJZUQGHMTHSO-CHWSQXEVSA-N 1 0 302.212 2.497 10 0 DEAERO C[C@]1(C(=O)N2CCN(c3ccccc3Cl)CC2)CCC[NH2+]1 ZINC000079511385 401875331 /nfs/dbraw/zinc/87/53/31/401875331.db2.gz JLICTRLSOZGNAW-MRXNPFEDSA-N 1 0 307.825 2.131 10 0 DEAERO CC[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000117495185 401878347 /nfs/dbraw/zinc/87/83/47/401878347.db2.gz HXZQHVMJZZTNKN-JKSUJKDBSA-N 1 0 311.470 2.319 10 0 DEAERO CN(C(=O)C[C@@H]1CCOc2ccccc21)C1CC[NH+](C)CC1 ZINC000117741664 401882827 /nfs/dbraw/zinc/88/28/27/401882827.db2.gz RBDDSBWHSQKUQA-AWEZNQCLSA-N 1 0 302.418 2.495 10 0 DEAERO CC(C)C[C@@H](NC(=O)[C@H]([NH3+])C(C)C)C(=O)Nc1ccccc1 ZINC000035653275 401900213 /nfs/dbraw/zinc/90/02/13/401900213.db2.gz LODYUHYUFPJMPF-HUUCEWRRSA-N 1 0 305.422 2.139 10 0 in-vitro DEAERO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCc2n[nH]cc21 ZINC000134468784 401904061 /nfs/dbraw/zinc/90/40/61/401904061.db2.gz LCCCEYAFEAEMET-HNNXBMFYSA-N 1 0 316.449 2.353 10 0 DEAERO COc1cc(C[NH2+]C2CCOCC2)cc(Br)c1O ZINC000036319163 401904171 /nfs/dbraw/zinc/90/41/71/401904171.db2.gz AJJHOIORBWJARU-UHFFFAOYSA-N 1 0 316.195 2.432 10 0 DEAERO CNC(=O)Cc1nc(CN2CCCC[C@H](SC)C2)cs1 ZINC000134609323 401908265 /nfs/dbraw/zinc/90/82/65/401908265.db2.gz XZBRSYMSHYKIHL-LBPRGKRZSA-N 1 0 313.492 2.149 10 0 DEAERO COC[C@H]1CCCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119007224 401918455 /nfs/dbraw/zinc/91/84/55/401918455.db2.gz NKQYIMUUQKXTHG-PCKAHOCUSA-N 1 0 311.470 2.175 10 0 DEAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119039700 401920740 /nfs/dbraw/zinc/92/07/40/401920740.db2.gz NMMQCQSKSJCZDF-OTBWCIGPSA-N 1 0 324.513 2.088 10 0 DEAERO Ic1ccccc1NC1CC[NH2+]CC1 ZINC000038040804 401921421 /nfs/dbraw/zinc/92/14/21/401921421.db2.gz WXHWGKDTPAPBOA-UHFFFAOYSA-N 1 0 302.159 2.455 10 0 DEAERO C[C@@H]1CN(CCCc2nc(-c3cccs3)no2)[C@H](C)C[NH2+]1 ZINC000086469620 401923958 /nfs/dbraw/zinc/92/39/58/401923958.db2.gz NBGQWKQLJGQSBG-VXGBXAGGSA-N 1 0 306.435 2.413 10 0 DEAERO NS(=O)(=O)CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000045069688 401953722 /nfs/dbraw/zinc/95/37/22/401953722.db2.gz CUJDOXOQBFTZDM-ZDUSSCGKSA-N 1 0 302.827 2.059 10 0 DEAERO CC(C)NC(=O)CC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000091689453 401997450 /nfs/dbraw/zinc/99/74/50/401997450.db2.gz GYSALBCPOBVFIY-OAHLLOKOSA-N 1 0 321.440 2.419 10 0 DEAERO CCC(CC)CC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000150823470 401997785 /nfs/dbraw/zinc/99/77/85/401997785.db2.gz HNACHAGMBNFGNH-QGZVFWFLSA-N 1 0 309.498 2.441 10 0 DEAERO O=C(C[N@H+]1CCC[C@H](CO)C1)N1CCC[C@H]1c1cccs1 ZINC000048322768 401998376 /nfs/dbraw/zinc/99/83/76/401998376.db2.gz RHVWJXPWCGUBDO-KBPBESRZSA-N 1 0 308.447 2.116 10 0 DEAERO COC[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C1CC1 ZINC000120122732 401979008 /nfs/dbraw/zinc/97/90/08/401979008.db2.gz JDYBUZCFWKTBIK-INIZCTEOSA-N 1 0 323.412 2.112 10 0 DEAERO C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047969945 401991453 /nfs/dbraw/zinc/99/14/53/401991453.db2.gz XMYOPMYCDGYBAY-WMZOPIPTSA-N 1 0 321.509 2.489 10 0 DEAERO CC[C@H](CSC)[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000091099906 401993946 /nfs/dbraw/zinc/99/39/46/401993946.db2.gz PEBZNTODGYMDRU-ILXRZTDVSA-N 1 0 314.495 2.230 10 0 DEAERO CCOC(=O)CC[N@H+]1C[C@@H](c2ccccc2)C[C@H](C(=O)OC)C1 ZINC000135461295 401940897 /nfs/dbraw/zinc/94/08/97/401940897.db2.gz AGOVXMGEGTXHKW-HOTGVXAUSA-N 1 0 319.401 2.218 10 0 DEAERO CC[C@]1(C(=O)NCCCCOCc2ccccc2)CC[NH2+]C1 ZINC000119414719 401948481 /nfs/dbraw/zinc/94/84/81/401948481.db2.gz CURGPJPHNGOKHC-SFHVURJKSA-N 1 0 304.434 2.489 10 0 DEAERO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000093077599 402010998 /nfs/dbraw/zinc/01/09/98/402010998.db2.gz MHOPZASNJAVUJV-IAGOWNOFSA-N 1 0 319.493 2.408 10 0 DEAERO COC(=O)c1sc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nc1Cl ZINC000094463916 402022569 /nfs/dbraw/zinc/02/25/69/402022569.db2.gz BEKPCNIKTFUELD-DTWKUNHWSA-N 1 0 315.826 2.256 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCC1(C)Cc2ccccc2C1 ZINC000094038747 402022721 /nfs/dbraw/zinc/02/27/21/402022721.db2.gz FXOHMPGVWOUBHR-INIZCTEOSA-N 1 0 301.434 2.185 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC(=O)c2ccc[nH]2)C1 ZINC000095084554 402024727 /nfs/dbraw/zinc/02/47/27/402024727.db2.gz JEKLROKFVSXGDA-GFCCVEGCSA-N 1 0 307.394 2.187 10 0 DEAERO CC(C)[NH2+][C@@H](CCO)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088333 402025190 /nfs/dbraw/zinc/02/51/90/402025190.db2.gz QLXGBDSHOZHNRY-KBPBESRZSA-N 1 0 300.443 2.383 10 0 DEAERO O=C(NCc1cscn1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050682902 402028897 /nfs/dbraw/zinc/02/88/97/402028897.db2.gz LNMPCVWBZWZKDQ-OAHLLOKOSA-N 1 0 301.415 2.424 10 0 DEAERO CSC[C@@H]1CCCN1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000121395582 402033006 /nfs/dbraw/zinc/03/30/06/402033006.db2.gz FSYJKXJHGLNWND-KGLIPLIRSA-N 1 0 301.500 2.500 10 0 DEAERO CO[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)C(C)(C)C ZINC000121429358 402035181 /nfs/dbraw/zinc/03/51/81/402035181.db2.gz JGAZYLJLEUTAHT-YMAMQOFZSA-N 1 0 313.486 2.467 10 0 DEAERO COc1ccc(OC)c(CN(C(=O)C[NH2+]CC2CC2)C2CC2)c1 ZINC000151423012 402035619 /nfs/dbraw/zinc/03/56/19/402035619.db2.gz KKRLTUQNDNFGKV-UHFFFAOYSA-N 1 0 318.417 2.194 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)NCCc1nccs1)c1ccccc1 ZINC000051756888 402035925 /nfs/dbraw/zinc/03/59/25/402035925.db2.gz NETCKYGNNCEDNK-CQSZACIVSA-N 1 0 318.446 2.288 10 0 DEAERO COc1ccc2c(CC(=O)NCC[NH+]3CCCC3)coc2c1 ZINC000052554010 402043558 /nfs/dbraw/zinc/04/35/58/402043558.db2.gz MQAUCZWTDAQSQN-UHFFFAOYSA-N 1 0 302.374 2.196 10 0 DEAERO Cc1noc(C)c1CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052555983 402044008 /nfs/dbraw/zinc/04/40/08/402044008.db2.gz JAFXCOWQTAURJL-INIZCTEOSA-N 1 0 301.390 2.253 10 0 DEAERO CSc1ccc(O[C@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000151601703 402045674 /nfs/dbraw/zinc/04/56/74/402045674.db2.gz CEZCGSIKLQPWIH-CHWSQXEVSA-N 1 0 308.447 2.338 10 0 DEAERO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000121626147 402046409 /nfs/dbraw/zinc/04/64/09/402046409.db2.gz IFEJKSIAGVFWEY-IRXDYDNUSA-N 1 0 308.466 2.166 10 0 DEAERO C[NH+]1CCC(CCNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000151685932 402050348 /nfs/dbraw/zinc/05/03/48/402050348.db2.gz KZABHZYPRPHLGE-SJLPKXTDSA-N 1 0 323.481 2.055 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(CO)c1 ZINC000121962789 402057923 /nfs/dbraw/zinc/05/79/23/402057923.db2.gz WUTIKRNXYJEVLW-RHSMWYFYSA-N 1 0 314.433 2.232 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)s1 ZINC000048666215 402005595 /nfs/dbraw/zinc/00/55/95/402005595.db2.gz XYOAJSFAAAOABP-UHFFFAOYSA-N 1 0 302.465 2.025 10 0 DEAERO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c(C)s1 ZINC000048672350 402005701 /nfs/dbraw/zinc/00/57/01/402005701.db2.gz XVEZVUYGUWKQTP-NSHDSACASA-N 1 0 316.492 2.375 10 0 DEAERO CCCn1nc(C)c(CN2CC[N@H+](CCOC)[C@H](CC)C2)c1C ZINC000120913799 402006327 /nfs/dbraw/zinc/00/63/27/402006327.db2.gz VNXVVAMSNJNXTL-QGZVFWFLSA-N 1 0 322.497 2.453 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000048905471 402009059 /nfs/dbraw/zinc/00/90/59/402009059.db2.gz GQSBAIACURXXDG-LBPRGKRZSA-N 1 0 316.854 2.493 10 0 DEAERO Cn1cc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000092849873 402009619 /nfs/dbraw/zinc/00/96/19/402009619.db2.gz SAJGBXOUHZCBJD-GOEBONIOSA-N 1 0 318.808 2.135 10 0 DEAERO 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CC(C)(O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000103168663 402180624 /nfs/dbraw/zinc/18/06/24/402180624.db2.gz QREHKINTBNMTLX-UHFFFAOYSA-N 1 0 302.418 2.059 10 0 DEAERO CC(C)c1ccccc1NC(=O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000103285988 402183513 /nfs/dbraw/zinc/18/35/13/402183513.db2.gz RAOQURYWUPHFLJ-KBPBESRZSA-N 1 0 317.433 2.334 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]2C[C@H](C)O)CC1 ZINC000124522339 402183829 /nfs/dbraw/zinc/18/38/29/402183829.db2.gz WPGDGRRRJPPBLQ-HOCLYGCPSA-N 1 0 311.470 2.053 10 0 DEAERO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cnn(CCC)c2)C1 ZINC000124925111 402203547 /nfs/dbraw/zinc/20/35/47/402203547.db2.gz WHGMPHODMQHUEE-INIZCTEOSA-N 1 0 306.454 2.421 10 0 DEAERO COC(=O)c1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000068222973 402188112 /nfs/dbraw/zinc/18/81/12/402188112.db2.gz UTFBXBTUPNMGEK-OAHLLOKOSA-N 1 0 306.406 2.179 10 0 DEAERO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cnn(CCC)c2)C1 ZINC000124924871 402203643 /nfs/dbraw/zinc/20/36/43/402203643.db2.gz 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CC1(C)CC[C@H](C[NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)O1 ZINC000184654589 402288821 /nfs/dbraw/zinc/28/88/21/402288821.db2.gz IKPPQRKYDIULQZ-QZTJIDSGSA-N 1 0 318.461 2.295 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NOCc1ccc(F)cc1 ZINC000184656541 402289133 /nfs/dbraw/zinc/28/91/33/402289133.db2.gz FOTPYTUEYZIAEB-HNNXBMFYSA-N 1 0 309.385 2.383 10 0 DEAERO C[N@H+](C[C@@H]1CCC(C)(C)O1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000184669037 402290489 /nfs/dbraw/zinc/29/04/89/402290489.db2.gz JKGZCAOHTXCDDX-CABCVRRESA-N 1 0 304.438 2.335 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000176298047 402297699 /nfs/dbraw/zinc/29/76/99/402297699.db2.gz RFLPAUUVWSIMST-OAHLLOKOSA-N 1 0 319.405 2.421 10 0 DEAERO Cc1ccc(O)c(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC000222079293 402305544 /nfs/dbraw/zinc/30/55/44/402305544.db2.gz ZBQNPJITWDFFKC-GFCCVEGCSA-N 1 0 309.410 2.489 10 0 DEAERO COc1ccc(C[C@H](C)C[NH2+]C[C@H](C)N2CCOCC2)cc1F ZINC000185270359 402339740 /nfs/dbraw/zinc/33/97/40/402339740.db2.gz HVTSOLWMZHXIBK-GJZGRUSLSA-N 1 0 324.440 2.323 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000176900799 402348300 /nfs/dbraw/zinc/34/83/00/402348300.db2.gz VNGAKMUYOVZFAD-CQSZACIVSA-N 1 0 321.396 2.015 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2c(C)nn(C)c2s1 ZINC000177008495 402358586 /nfs/dbraw/zinc/35/85/86/402358586.db2.gz AOLFUGVNYADNTD-GFCCVEGCSA-N 1 0 320.462 2.500 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccn(-c2ccccc2)n1 ZINC000177021566 402360407 /nfs/dbraw/zinc/36/04/07/402360407.db2.gz AWTGPDUFDYPALL-MRXNPFEDSA-N 1 0 312.417 2.429 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-c2ncon2)cc1 ZINC000177032981 402361787 /nfs/dbraw/zinc/36/17/87/402361787.db2.gz LHMPNRNRSWQTSZ-HNNXBMFYSA-N 1 0 314.389 2.293 10 0 DEAERO CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236605334 402367936 /nfs/dbraw/zinc/36/79/36/402367936.db2.gz VPBUGIZPQKYNRT-CABCVRRESA-N 1 0 319.453 2.147 10 0 DEAERO CC(C)OC(=O)c1ccc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)cc1 ZINC000185905236 402388276 /nfs/dbraw/zinc/38/82/76/402388276.db2.gz GMESXPYILJIWKU-GOSISDBHSA-N 1 0 318.417 2.482 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccnc2N2CCCC2)C1 ZINC000177135526 402373476 /nfs/dbraw/zinc/37/34/76/402373476.db2.gz DGANPHWAUVBQID-ZBFHGGJFSA-N 1 0 316.449 2.140 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000226460347 402328225 /nfs/dbraw/zinc/32/82/25/402328225.db2.gz QTUJXMCZTSVGGY-LLVKDONJSA-N 1 0 302.827 2.069 10 0 DEAERO CCN(C)C(=O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000185180101 402331249 /nfs/dbraw/zinc/33/12/49/402331249.db2.gz NHDYKUMCXKBXPX-UHFFFAOYSA-N 1 0 303.175 2.156 10 0 DEAERO COc1cc(C[NH2+]CCC[C@@H](C)O)cc(Br)c1O ZINC000227954695 402334619 /nfs/dbraw/zinc/33/46/19/402334619.db2.gz LRZASHZSRGGXMW-SECBINFHSA-N 1 0 318.211 2.414 10 0 DEAERO COc1cc(C[NH2+][C@@H](C)C[C@@H](C)O)cc(Br)c1O ZINC000228072397 402336317 /nfs/dbraw/zinc/33/63/17/402336317.db2.gz CDEPNDRAJFDWMU-DTWKUNHWSA-N 1 0 318.211 2.412 10 0 DEAERO CN(C)c1noc(CN2CCC[N@H+](CC3CCCCC3)CC2)n1 ZINC000185251252 402338486 /nfs/dbraw/zinc/33/84/86/402338486.db2.gz AIXVAQWFNYCYET-UHFFFAOYSA-N 1 0 321.469 2.224 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCC2=CCCCCC2)CCO1 ZINC000185263975 402339039 /nfs/dbraw/zinc/33/90/39/402339039.db2.gz AYFDRHJZACIEMS-MRXNPFEDSA-N 1 0 309.454 2.239 10 0 DEAERO C[NH2+]C1CCN(C(=O)Cc2coc3cc(OC)ccc23)CC1 ZINC000237115243 402395599 /nfs/dbraw/zinc/39/55/99/402395599.db2.gz KFBXMAUKCCGTCT-UHFFFAOYSA-N 1 0 302.374 2.194 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCCCO)C[C@@H]21 ZINC000186025962 402396999 /nfs/dbraw/zinc/39/69/99/402396999.db2.gz OECYGAOPIUSLJP-SOUVJXGZSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)CCc2cccc3c2OCO3)CC[N@@H+]1C ZINC000186041760 402398053 /nfs/dbraw/zinc/39/80/53/402398053.db2.gz RNCQYEVDOUHACE-HIFRSBDPSA-N 1 0 318.417 2.289 10 0 DEAERO CCc1cccc2c(CC[NH2+]C3CCN(C(N)=O)CC3)c[nH]c21 ZINC000161801789 402399819 /nfs/dbraw/zinc/39/98/19/402399819.db2.gz BSRKFKITPAEDTO-UHFFFAOYSA-N 1 0 314.433 2.406 10 0 DEAERO C[C@]1(CNC(=O)c2cnccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000162379580 402418344 /nfs/dbraw/zinc/41/83/44/402418344.db2.gz ZKFDIAOULIWEHF-GOSISDBHSA-N 1 0 310.401 2.261 10 0 DEAERO CCC[C@@H](C(=O)N1CCC(c2cnn(CC)c2)CC1)[NH+](C)C ZINC000162439458 402419843 /nfs/dbraw/zinc/41/98/43/402419843.db2.gz VAKNPFDFLOJVMP-INIZCTEOSA-N 1 0 306.454 2.339 10 0 DEAERO CCC[C@H]1CN(c2ccnc(C3CC3)n2)CC[N@@H+]1CCOC ZINC000162478915 402421796 /nfs/dbraw/zinc/42/17/96/402421796.db2.gz GIGWWDALJZCNQD-HNNXBMFYSA-N 1 0 304.438 2.291 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC)o2)C12CCOCC2 ZINC000186338621 402422521 /nfs/dbraw/zinc/42/25/21/402422521.db2.gz JBIFKBXUNCTYBP-HUUCEWRRSA-N 1 0 323.389 2.130 10 0 DEAERO CN(C)C(=O)C1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000162630693 402426449 /nfs/dbraw/zinc/42/64/49/402426449.db2.gz BMSCLKZAQNGVEH-UHFFFAOYSA-N 1 0 312.417 2.377 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000177702561 402428397 /nfs/dbraw/zinc/42/83/97/402428397.db2.gz DHGHHFCWSXZXQO-DOTOQJQBSA-N 1 0 315.461 2.380 10 0 DEAERO O=C(CCC1CC[NH2+]CC1)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000237965682 402428880 /nfs/dbraw/zinc/42/88/80/402428880.db2.gz RIIBCTFGNRKELP-HOTGVXAUSA-N 1 0 304.438 2.263 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000237977903 402429503 /nfs/dbraw/zinc/42/95/03/402429503.db2.gz HRYQCUUFLKTCMU-VHSXEESVSA-N 1 0 317.311 2.479 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C12CCOCC2 ZINC000186428470 402430846 /nfs/dbraw/zinc/43/08/46/402430846.db2.gz QNPYWGJQZNNZOG-KURKYZTESA-N 1 0 319.445 2.154 10 0 DEAERO CCC(CC)(CC)CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000186440912 402431071 /nfs/dbraw/zinc/43/10/71/402431071.db2.gz YOJVTMSZESPYBK-HUUCEWRRSA-N 1 0 313.486 2.299 10 0 DEAERO Cc1ccccc1CN(C)C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177767794 402433913 /nfs/dbraw/zinc/43/39/13/402433913.db2.gz CFSLGQUDBLJYNT-GOSISDBHSA-N 1 0 315.461 2.124 10 0 DEAERO O=C(c1cc(-c2ccco2)on1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186531081 402439520 /nfs/dbraw/zinc/43/95/20/402439520.db2.gz KHHOLFMFOCQFPX-LLVKDONJSA-N 1 0 301.346 2.291 10 0 DEAERO O=C(COc1ccccc1Cl)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186540855 402440474 /nfs/dbraw/zinc/44/04/74/402440474.db2.gz LXIUKXSRVHLLEO-LBPRGKRZSA-N 1 0 308.809 2.462 10 0 DEAERO O=C(CCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)c1ccccc1 ZINC000186552564 402441063 /nfs/dbraw/zinc/44/10/63/402441063.db2.gz QXUHWVJWUNVHJL-OAHLLOKOSA-N 1 0 300.402 2.393 10 0 DEAERO O=C(c1ccc(Br)cn1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186561289 402441559 /nfs/dbraw/zinc/44/15/59/402441559.db2.gz CJKVKQQLIHLMHI-NSHDSACASA-N 1 0 324.222 2.201 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000186558921 402441715 /nfs/dbraw/zinc/44/17/15/402441715.db2.gz ILUSJHLKDJCZPC-UHFFFAOYSA-N 1 0 307.442 2.091 10 0 DEAERO CCC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000161540131 402391186 /nfs/dbraw/zinc/39/11/86/402391186.db2.gz QZPUQQBJZLHLGS-MSOLQXFVSA-N 1 0 317.477 2.498 10 0 DEAERO CCC[C@@H](C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1)[NH+](C)C ZINC000161578601 402392515 /nfs/dbraw/zinc/39/25/15/402392515.db2.gz QXSYAXXEMZWLBK-RISCZKNCSA-N 1 0 306.410 2.085 10 0 DEAERO C[NH2+]C1CCN(C(=O)CSc2ccc(F)c(F)c2)CC1 ZINC000237072097 402393695 /nfs/dbraw/zinc/39/36/95/402393695.db2.gz IPAYWXZRFLXSJP-UHFFFAOYSA-N 1 0 300.374 2.267 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[NH+](C)C ZINC000161617265 402393797 /nfs/dbraw/zinc/39/37/97/402393797.db2.gz FIGXBSMSSNCZJM-CQSZACIVSA-N 1 0 307.394 2.322 10 0 DEAERO C[NH2+]C1CCN(C(=O)CCSc2ccc(OC)cc2)CC1 ZINC000237066603 402393888 /nfs/dbraw/zinc/39/38/88/402393888.db2.gz DHMATJJUSWJRGB-UHFFFAOYSA-N 1 0 308.447 2.388 10 0 DEAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000246103172 402510167 /nfs/dbraw/zinc/51/01/67/402510167.db2.gz NQYIXKITPRXPAH-GDBMZVCRSA-N 1 0 308.447 2.248 10 0 DEAERO Cc1oc(-c2cccs2)nc1CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000187731807 402510253 /nfs/dbraw/zinc/51/02/53/402510253.db2.gz WBYSUBNIBVOHAK-GFCCVEGCSA-N 1 0 321.446 2.210 10 0 DEAERO CC1(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)COC1 ZINC000163556182 402453112 /nfs/dbraw/zinc/45/31/12/402453112.db2.gz JRKDJKBVRIJOBR-UHFFFAOYSA-N 1 0 316.445 2.441 10 0 DEAERO COc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(OC)c1 ZINC000246121043 402511784 /nfs/dbraw/zinc/51/17/84/402511784.db2.gz KJACSSDLTJTXNQ-STQMWFEESA-N 1 0 319.405 2.404 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245397683 402455276 /nfs/dbraw/zinc/45/52/76/402455276.db2.gz PZBJNHGLJCOYKL-LZLYRXPVSA-N 1 0 315.461 2.422 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1COc2ccccc21 ZINC000245426402 402459004 /nfs/dbraw/zinc/45/90/04/402459004.db2.gz UWMJKCOMSHVYDL-HIFRSBDPSA-N 1 0 303.406 2.246 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCOc2ccccc21 ZINC000245428146 402459961 /nfs/dbraw/zinc/45/99/61/402459961.db2.gz INMBNWOTYLCQHK-HOCLYGCPSA-N 1 0 302.418 2.495 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cccc(OC)c1 ZINC000245430256 402460009 /nfs/dbraw/zinc/46/00/09/402460009.db2.gz NLKXJVIYVRZERF-CVEARBPZSA-N 1 0 317.433 2.192 10 0 DEAERO CNC(=O)[C@H]1CCCN1Cc1nc2ccc(OC)cc2s1 ZINC000186747246 402461391 /nfs/dbraw/zinc/46/13/91/402461391.db2.gz MNQLTKCUBDSEIO-GFCCVEGCSA-N 1 0 305.403 2.015 10 0 DEAERO C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)Oc1ccc(F)cc1 ZINC000245482984 402464901 /nfs/dbraw/zinc/46/49/01/402464901.db2.gz DSGKYNNMIXLUKD-HIFRSBDPSA-N 1 0 321.396 2.083 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CC(=O)N1C[C@@H](C)C[C@H](C)C1)CC2 ZINC000245494252 402465363 /nfs/dbraw/zinc/46/53/63/402465363.db2.gz NCJJRCAJDUNLSB-FJIDUMEYSA-N 1 0 321.509 2.438 10 0 DEAERO O=C(c1ccccc1)N1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000178158749 402466225 /nfs/dbraw/zinc/46/62/25/402466225.db2.gz QIRNCGVZKWTNIY-UHFFFAOYSA-N 1 0 300.402 2.228 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000245513655 402467107 /nfs/dbraw/zinc/46/71/07/402467107.db2.gz APAJOGMQEUQRFR-KGLIPLIRSA-N 1 0 311.470 2.458 10 0 DEAERO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(F)c(F)c(F)c3F)[C@H]2C1 ZINC000245532547 402468704 /nfs/dbraw/zinc/46/87/04/402468704.db2.gz USOLVNMDAJOPEW-KWQFWETISA-N 1 0 316.298 2.409 10 0 DEAERO CCOCc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)ccc1OC ZINC000245549048 402470034 /nfs/dbraw/zinc/47/00/34/402470034.db2.gz YQWLDKVMEDIWEK-HIFRSBDPSA-N 1 0 320.433 2.318 10 0 DEAERO COC(=O)c1cccc(OCC[N@H+](C)[C@]2(CO)CC[C@H](C)C2)c1 ZINC000187925108 402512607 /nfs/dbraw/zinc/51/26/07/402512607.db2.gz SWAXFABIOSCVDU-KBXCAEBGSA-N 1 0 321.417 2.335 10 0 DEAERO CCC[C@H](C(=O)NCCN1c2ccccc2C[C@H]1C)[NH+](C)C ZINC000245642006 402475860 /nfs/dbraw/zinc/47/58/60/402475860.db2.gz SNAFZYAKDNWSFO-RHSMWYFYSA-N 1 0 303.450 2.284 10 0 DEAERO CN(C[C@@H]1CCOC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245642760 402475890 /nfs/dbraw/zinc/47/58/90/402475890.db2.gz KTZFTRYBLORYOD-BHYGNILZSA-N 1 0 317.433 2.110 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000186992013 402476315 /nfs/dbraw/zinc/47/63/15/402476315.db2.gz AXQALVKGAVXEBF-UHFFFAOYSA-N 1 0 305.422 2.425 10 0 DEAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245644087 402476381 /nfs/dbraw/zinc/47/63/81/402476381.db2.gz BSNHTSRQCAANOL-SRMUXQRQSA-N 1 0 324.371 2.251 10 0 DEAERO C[C@H](Cc1ccc(O)cc1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245660231 402477026 /nfs/dbraw/zinc/47/70/26/402477026.db2.gz DAKUDFPRCLMYSK-FMKPAKJESA-N 1 0 319.449 2.447 10 0 DEAERO CC[C@]1(C)CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246139878 402512895 /nfs/dbraw/zinc/51/28/95/402512895.db2.gz BSQHZAXEGGGMIV-HUUCEWRRSA-N 1 0 302.484 2.170 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NCCc2cccnc2)[C@H]1c1ccccc1 ZINC000245663907 402477884 /nfs/dbraw/zinc/47/78/84/402477884.db2.gz QJDNTCJRCIPASE-ZWKOTPCHSA-N 1 0 324.428 2.369 10 0 DEAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC000245692035 402479895 /nfs/dbraw/zinc/47/98/95/402479895.db2.gz UTICUUIRGGJNBB-LSDHHAIUSA-N 1 0 302.422 2.203 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2)[C@H]1c1ccccc1 ZINC000245702441 402480780 /nfs/dbraw/zinc/48/07/80/402480780.db2.gz ZRYACUAZIVKCHO-DLBZAZTESA-N 1 0 323.396 2.187 10 0 DEAERO Cn1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(-c2ccncc2)n1 ZINC000245736710 402483884 /nfs/dbraw/zinc/48/38/84/402483884.db2.gz KYYAMFKBGXWXDA-RDJZCZTQSA-N 1 0 312.417 2.483 10 0 DEAERO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000166696812 402486422 /nfs/dbraw/zinc/48/64/22/402486422.db2.gz IEXLFWSGGYOEAT-LLVKDONJSA-N 1 0 302.296 2.457 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CC1CCCC1 ZINC000178354185 402488743 /nfs/dbraw/zinc/48/87/43/402488743.db2.gz KPCWIJLDGLLXOH-LSDHHAIUSA-N 1 0 300.468 2.065 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H]2C[NH+]2CCCC2)[C@H]1C ZINC000245809915 402489038 /nfs/dbraw/zinc/48/90/38/402489038.db2.gz GOOXELFJEVEAPE-OWSLCNJRSA-N 1 0 321.509 2.488 10 0 DEAERO Cc1cc(N2CC[NH+](CCCOCc3ccccc3)CC2)n[nH]1 ZINC000187232356 402489307 /nfs/dbraw/zinc/48/93/07/402489307.db2.gz ADBKAKNFWQLXAQ-UHFFFAOYSA-N 1 0 314.433 2.447 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000167108938 402489529 /nfs/dbraw/zinc/48/95/29/402489529.db2.gz OTJZPENWZGJSEY-VWYCJHECSA-N 1 0 322.232 2.340 10 0 DEAERO COc1ccc([C@H](C)C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000245865199 402492425 /nfs/dbraw/zinc/49/24/25/402492425.db2.gz PYGKAHUJZCTWPZ-GPMSIDNRSA-N 1 0 318.461 2.451 10 0 DEAERO COC(=O)c1ccccc1-c1ccc(C[NH2+]C2(CO)CC2)o1 ZINC000187365334 402496318 /nfs/dbraw/zinc/49/63/18/402496318.db2.gz NQWSXTWJJMVQEL-UHFFFAOYSA-N 1 0 301.342 2.348 10 0 DEAERO Cc1cc(C(=O)CN2CC[N@@H+]3CCC[C@H]3C2)c(C)n1C1CC1 ZINC000246166437 402514269 /nfs/dbraw/zinc/51/42/69/402514269.db2.gz FLNQHADJLWMOLW-INIZCTEOSA-N 1 0 301.434 2.403 10 0 DEAERO COC[C@H](C)C[NH2+]CCCN1CCN(c2cccc(C)c2)CC1 ZINC000187635395 402506813 /nfs/dbraw/zinc/50/68/13/402506813.db2.gz TUCRDORUFQONGH-GOSISDBHSA-N 1 0 319.493 2.379 10 0 DEAERO 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DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCc3c(cccc3OC)C2)C1 ZINC000182584578 402701074 /nfs/dbraw/zinc/70/10/74/402701074.db2.gz CAIMQHQNQFXMFW-HNNXBMFYSA-N 1 0 317.433 2.247 10 0 DEAERO Cc1cc(N2CC[C@@H]([N@@H+]3CCCC(C)(C)CC3)C2=O)n(C)n1 ZINC000173532383 402702053 /nfs/dbraw/zinc/70/20/53/402702053.db2.gz CWVPKUDMLMJQRI-CQSZACIVSA-N 1 0 304.438 2.346 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000173530456 402702163 /nfs/dbraw/zinc/70/21/63/402702163.db2.gz PUYALLKGMBBENR-UHFFFAOYSA-N 1 0 321.469 2.214 10 0 DEAERO C[C@H]1C[C@H](NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C[C@@H](C)C1 ZINC000262505513 402726681 /nfs/dbraw/zinc/72/66/81/402726681.db2.gz MJPZHEXSLXUCCA-BJXUOIJQSA-N 1 0 308.466 2.460 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c(Cl)cc1F ZINC000262753898 402729915 /nfs/dbraw/zinc/72/99/15/402729915.db2.gz HDFXETBGQAYBJS-ZJUUUORDSA-N 1 0 320.817 2.158 10 0 DEAERO CCc1cnc(CC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)s1 ZINC000174283135 402735082 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CCCC[C@@H](CC)CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192803970 402750885 /nfs/dbraw/zinc/75/08/85/402750885.db2.gz ZFLUPXFLMJVLKC-HZPDHXFCSA-N 1 0 313.486 2.349 10 0 DEAERO COCCOc1cccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000263260561 402751585 /nfs/dbraw/zinc/75/15/85/402751585.db2.gz QWAYXSDGKOLVHT-FUHWJXTLSA-N 1 0 320.433 2.236 10 0 DEAERO CCN(CC)C(=O)C1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263265670 402752232 /nfs/dbraw/zinc/75/22/32/402752232.db2.gz RNQVXUZWKZSSLJ-QAPCUYQASA-N 1 0 323.481 2.001 10 0 DEAERO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000263314572 402757894 /nfs/dbraw/zinc/75/78/94/402757894.db2.gz ZGXDMETYWXQNEY-KBXCAEBGSA-N 1 0 313.401 2.464 10 0 DEAERO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccnn2C)C1 ZINC000192952907 402758032 /nfs/dbraw/zinc/75/80/32/402758032.db2.gz BVWNHYRVIXVGBL-KBPBESRZSA-N 1 0 300.406 2.358 10 0 DEAERO O=C(NCCc1ccccn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193029984 402761404 /nfs/dbraw/zinc/76/14/04/402761404.db2.gz MKUAHXJAOZPWCJ-UHFFFAOYSA-N 1 0 316.449 2.142 10 0 DEAERO Cc1cnc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000174918307 402763212 /nfs/dbraw/zinc/76/32/12/402763212.db2.gz ZYFCHCMSTBXZBN-CHWSQXEVSA-N 1 0 308.451 2.392 10 0 DEAERO Cn1cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(C(C)(C)C)n1 ZINC000183406967 402764325 /nfs/dbraw/zinc/76/43/25/402764325.db2.gz CGXMJKBSYHGFCX-CQSZACIVSA-N 1 0 316.453 2.221 10 0 DEAERO C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCCC3(C)C)ccn2)CC1 ZINC000174979850 402768580 /nfs/dbraw/zinc/76/85/80/402768580.db2.gz DVJHXVDYXOYTLR-OAHLLOKOSA-N 1 0 316.449 2.142 10 0 DEAERO COC(=O)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175012282 402771307 /nfs/dbraw/zinc/77/13/07/402771307.db2.gz GLEQNUSPFDQZLF-DOMZBBRYSA-N 1 0 319.405 2.420 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(NC(C)=O)cc1 ZINC000175010092 402771332 /nfs/dbraw/zinc/77/13/32/402771332.db2.gz OVHTXSUOBXLZMS-DLBZAZTESA-N 1 0 315.417 2.344 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(C(C)(C)C)c1 ZINC000175013215 402771398 /nfs/dbraw/zinc/77/13/98/402771398.db2.gz CASOFIADTFVKAN-HUUCEWRRSA-N 1 0 304.438 2.337 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000175028918 402772353 /nfs/dbraw/zinc/77/23/53/402772353.db2.gz YQZCKBMIWITZEO-QZTJIDSGSA-N 1 0 315.461 2.447 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(F)c(F)c1 ZINC000175031734 402773203 /nfs/dbraw/zinc/77/32/03/402773203.db2.gz JLWKSMBCUORTQX-ZIAGYGMSSA-N 1 0 323.387 2.462 10 0 DEAERO CCO[C@H](C)c1noc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2CC)n1 ZINC000175058435 402775423 /nfs/dbraw/zinc/77/54/23/402775423.db2.gz FUDABGNNGRRFKY-MGPQQGTHSA-N 1 0 308.426 2.226 10 0 DEAERO COC[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000193677641 402775524 /nfs/dbraw/zinc/77/55/24/402775524.db2.gz OUBOCTUXUDMSDM-FZMZJTMJSA-N 1 0 319.854 2.298 10 0 DEAERO Cc1cnn([C@@H]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)C2)c1 ZINC000183563140 402776217 /nfs/dbraw/zinc/77/62/17/402776217.db2.gz CGELZMQTYYRVMG-CQSZACIVSA-N 1 0 313.405 2.130 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc(-n2cccn2)c1 ZINC000183575078 402777801 /nfs/dbraw/zinc/77/78/01/402777801.db2.gz PXNVUTJKVDJJSA-CYBMUJFWSA-N 1 0 300.406 2.438 10 0 DEAERO COc1cccc(OC)c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000175104736 402779802 /nfs/dbraw/zinc/77/98/02/402779802.db2.gz QUGAXLBULRNIMJ-STQMWFEESA-N 1 0 306.406 2.259 10 0 DEAERO O=C(N[C@H]1CCOc2ccccc21)N1CC[NH+](CC2CC2)CC1 ZINC000194259923 402789276 /nfs/dbraw/zinc/78/92/76/402789276.db2.gz BAOKQFIEKUNJOI-INIZCTEOSA-N 1 0 315.417 2.247 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NCc1cccc(Cl)c1 ZINC000175357334 402799584 /nfs/dbraw/zinc/79/95/84/402799584.db2.gz FCXHLCMVOCOSMM-MRXNPFEDSA-N 1 0 323.868 2.372 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(C)Cc1ccccc1C ZINC000175361872 402800211 /nfs/dbraw/zinc/80/02/11/402800211.db2.gz TYNWCTIXAOHBLS-SFHVURJKSA-N 1 0 317.477 2.370 10 0 DEAERO O=C(c1ccc(C(F)(F)F)nc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194503526 402800374 /nfs/dbraw/zinc/80/03/74/402800374.db2.gz MMJDUPSFKUTIGK-UHFFFAOYSA-N 1 0 313.323 2.411 10 0 DEAERO Cc1cc(NC(=O)[C@H](C)Nc2ccc3c(c2)C[N@@H+](C)C3)on1 ZINC000194516488 402800890 /nfs/dbraw/zinc/80/08/90/402800890.db2.gz VJWPWMALPVZYHH-NSHDSACASA-N 1 0 300.362 2.368 10 0 DEAERO COc1ccc(CCCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000194524413 402801267 /nfs/dbraw/zinc/80/12/67/402801267.db2.gz ALTQFNZXSSJVBE-INIZCTEOSA-N 1 0 302.418 2.325 10 0 DEAERO O=C(c1csc(-c2ccccn2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000194524499 402801528 /nfs/dbraw/zinc/80/15/28/402801528.db2.gz PCWVTYJFKWFHML-GFCCVEGCSA-N 1 0 314.414 2.125 10 0 DEAERO Cc1ccc(CCCCC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000194599796 402804267 /nfs/dbraw/zinc/80/42/67/402804267.db2.gz UNPIAYKVAUDDJY-KRWDZBQOSA-N 1 0 304.434 2.155 10 0 DEAERO COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CN(C)CCO3)oc21 ZINC000175424498 402805959 /nfs/dbraw/zinc/80/59/59/402805959.db2.gz BXRBPTORODVYKP-TZMCWYRMSA-N 1 0 304.390 2.423 10 0 DEAERO CC1(C)CN(C(=O)c2ccc(-n3cccc3)c(F)c2)CC[NH2+]1 ZINC000175426991 402806027 /nfs/dbraw/zinc/80/60/27/402806027.db2.gz VSKJYMZTPLZDDV-UHFFFAOYSA-N 1 0 301.365 2.440 10 0 DEAERO CC1(C)CCC(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000175446782 402807131 /nfs/dbraw/zinc/80/71/31/402807131.db2.gz OPHAKQVOLHXXIB-HNNXBMFYSA-N 1 0 311.470 2.101 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000194733920 402813866 /nfs/dbraw/zinc/81/38/66/402813866.db2.gz CYJOHHQXRZKCED-ZDUSSCGKSA-N 1 0 300.324 2.458 10 0 DEAERO CC(C)OC(=O)c1cccnc1NCCCC[NH+]1CCOCC1 ZINC000184059957 402815239 /nfs/dbraw/zinc/81/52/39/402815239.db2.gz CTFMMWMMYVZNFH-UHFFFAOYSA-N 1 0 321.421 2.171 10 0 DEAERO Cc1nc2ccccc2n1CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000194919865 402822663 /nfs/dbraw/zinc/82/26/63/402822663.db2.gz GNPPUDAKYPXRDV-HNNXBMFYSA-N 1 0 316.449 2.437 10 0 DEAERO Cc1ccc(OCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1C ZINC000195095288 402831019 /nfs/dbraw/zinc/83/10/19/402831019.db2.gz XXUFLQLKCIZLKR-MRXNPFEDSA-N 1 0 302.418 2.379 10 0 DEAERO COc1ccc2c(c1)CCN2C(=O)NCC[NH+]1CCC(C)CC1 ZINC000195137699 402833497 /nfs/dbraw/zinc/83/34/97/402833497.db2.gz PEDBZADNWKLBEZ-UHFFFAOYSA-N 1 0 317.433 2.499 10 0 DEAERO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCCC(C)(C)C2)CC1 ZINC000175818504 402835168 /nfs/dbraw/zinc/83/51/68/402835168.db2.gz CKHIYJMMBIYBBM-MRXNPFEDSA-N 1 0 324.513 2.092 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000175954444 402844535 /nfs/dbraw/zinc/84/45/35/402844535.db2.gz WIEOKGDUBKMDKJ-INIZCTEOSA-N 1 0 323.412 2.078 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ncncc2Cl)C1 ZINC000175147488 402783437 /nfs/dbraw/zinc/78/34/37/402783437.db2.gz ZEQKDVNHVKFHBV-TXEJJXNPSA-N 1 0 310.829 2.228 10 0 DEAERO COc1ccccc1CCN(C)Cc1nc([C@@H](C)OC)no1 ZINC000175181698 402786171 /nfs/dbraw/zinc/78/61/71/402786171.db2.gz IWRLPLHWIKZBAG-GFCCVEGCSA-N 1 0 305.378 2.460 10 0 DEAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000183659815 402786526 /nfs/dbraw/zinc/78/65/26/402786526.db2.gz RRMZYRZHWKKCEW-DNVCBOLYSA-N 1 0 324.424 2.283 10 0 DEAERO CCOc1ccc(C(C)=O)cc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000175204364 402787613 /nfs/dbraw/zinc/78/76/13/402787613.db2.gz FWZCBZJZMKMGPT-QGZVFWFLSA-N 1 0 320.433 2.050 10 0 DEAERO CCCC[N@H+](C)CC1CCN(Cc2nnc(CC)n2C)CC1 ZINC000195431982 402845224 /nfs/dbraw/zinc/84/52/24/402845224.db2.gz NSJINGXYNIDSCC-UHFFFAOYSA-N 1 0 307.486 2.321 10 0 DEAERO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCOC[C@@H]2C)c1 ZINC000195447245 402845898 /nfs/dbraw/zinc/84/58/98/402845898.db2.gz DLUBAKQGPDRBTH-WMLDXEAASA-N 1 0 304.434 2.427 10 0 DEAERO CN(C(=O)C[NH+]1CCC(c2ccnn2C)CC1)C1CCCCC1 ZINC000195502621 402847566 /nfs/dbraw/zinc/84/75/66/402847566.db2.gz RTPPDPUMTFHHER-UHFFFAOYSA-N 1 0 318.465 2.391 10 0 DEAERO CN(C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000195515733 402848990 /nfs/dbraw/zinc/84/89/90/402848990.db2.gz AATDFHCEKJECIQ-MRXNPFEDSA-N 1 0 324.428 2.478 10 0 DEAERO Cc1cccc(O[C@H](C)CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000176048398 402850077 /nfs/dbraw/zinc/85/00/77/402850077.db2.gz DSQSSRUKKTZDLD-HZPDHXFCSA-N 1 0 317.433 2.252 10 0 DEAERO Brc1ccc2c(c1)[C@H]([NH2+]CCn1cncn1)CC2 ZINC000282793733 403159896 /nfs/dbraw/zinc/15/98/96/403159896.db2.gz QTAKQNHCCJRKDE-CYBMUJFWSA-N 1 0 307.195 2.318 10 0 DEAERO Cc1cn2cc(NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)ccc2n1 ZINC000271233474 403282335 /nfs/dbraw/zinc/28/23/35/403282335.db2.gz DSJVDPDQPCKWHK-HIFRSBDPSA-N 1 0 313.405 2.343 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)Cc1cnn(C)c1C)c1ccco1 ZINC000292139970 403303670 /nfs/dbraw/zinc/30/36/70/403303670.db2.gz CRGIYHAOABUCKX-HNNXBMFYSA-N 1 0 318.421 2.063 10 0 DEAERO CC(=O)N(C)c1ccccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000330968506 403313542 /nfs/dbraw/zinc/31/35/42/403313542.db2.gz RDJAEPYZQPHLHI-STQMWFEESA-N 1 0 303.406 2.481 10 0 DEAERO O[C@@]1(c2cn[nH]n2)CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000285542721 403322355 /nfs/dbraw/zinc/32/23/55/403322355.db2.gz PZUINBLEUOQLSU-ZDUSSCGKSA-N 1 0 313.188 2.205 10 0 DEAERO CC(=O)c1cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)n(C)c1 ZINC000343164486 403484247 /nfs/dbraw/zinc/48/42/47/403484247.db2.gz LAMZOHRIKQPCHE-STQMWFEESA-N 1 0 305.422 2.220 10 0 DEAERO CC[C@H]1CN(c2ccnc3cc(F)cnc32)C[C@@H](C)S1(=O)=O ZINC000286336280 403502493 /nfs/dbraw/zinc/50/24/93/403502493.db2.gz IBYUKWDMPCLYPD-PWSUYJOCSA-N 1 0 323.393 2.171 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C12CCC2 ZINC000175670496 286347173 /nfs/dbraw/zinc/34/71/73/286347173.db2.gz HREUFLGZELPWDJ-LVQVYYBASA-N 1 0 323.481 2.458 10 0 DEAERO Cc1nc2ccccc2nc1NC[C@H](c1cnn(C)c1)[NH+](C)C ZINC000301269544 403608885 /nfs/dbraw/zinc/60/88/85/403608885.db2.gz GNAUVPLIVHFWEN-MRXNPFEDSA-N 1 0 310.405 2.387 10 0 DEAERO O=C(Nc1cccc2c1OCO2)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333100089 403666221 /nfs/dbraw/zinc/66/62/21/403666221.db2.gz DRZGUGPHORNMKB-CYBMUJFWSA-N 1 0 317.389 2.411 10 0 DEAERO COC1(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1 ZINC000333276393 403714158 /nfs/dbraw/zinc/71/41/58/403714158.db2.gz XADNJWXVCOLENY-GOOCMWNKSA-N 1 0 309.454 2.260 10 0 DEAERO Cc1cc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cn2ccnc12 ZINC000333320419 403723756 /nfs/dbraw/zinc/72/37/56/403723756.db2.gz MXNUJHPYSNDZID-KRWDZBQOSA-N 1 0 313.405 2.250 10 0 DEAERO CCOc1cc(C[N@@H+]2C[C@H](OC)C[C@H]2COC)ccc1OC ZINC000343837558 403753987 /nfs/dbraw/zinc/75/39/87/403753987.db2.gz UQWLAAWFYMNBPF-LSDHHAIUSA-N 1 0 309.406 2.330 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333466950 403758976 /nfs/dbraw/zinc/75/89/76/403758976.db2.gz ACEPCEMZQYZYSY-JSGCOSHPSA-N 1 0 321.469 2.449 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCc2nnnn2CC1)c1nc2c(s1)CCCC2 ZINC000333681688 403814122 /nfs/dbraw/zinc/81/41/22/403814122.db2.gz FGNZGXYUKUVHEV-MNOVXSKESA-N 1 0 318.450 2.064 10 0 DEAERO c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333686492 403815508 /nfs/dbraw/zinc/81/55/08/403815508.db2.gz FRPHJIAFPDYUOZ-YPMHNXCESA-N 1 0 301.419 2.205 10 0 DEAERO CO[C@H]1C[C@H]2C[C@H]([NH2+]CC(C)(C)C3(O)CCOCC3)C[C@H]2C1 ZINC000333648095 403802891 /nfs/dbraw/zinc/80/28/91/403802891.db2.gz YLVWGTUXPPIFIJ-PLAPLOCASA-N 1 0 311.466 2.347 10 0 DEAERO CN(C[C@@H]1OCCc2ccccc21)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333777348 403856816 /nfs/dbraw/zinc/85/68/16/403856816.db2.gz DCXBZOXKVHJMLU-WBVHZDCISA-N 1 0 317.433 2.084 10 0 DEAERO O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC2(CC[NH2+]2)CC1 ZINC000333789219 403861404 /nfs/dbraw/zinc/86/14/04/403861404.db2.gz FWZQANNDVRHGFI-UHFFFAOYSA-N 1 0 314.364 2.184 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C[C@@H]1[NH3+] ZINC000333843990 403882291 /nfs/dbraw/zinc/88/22/91/403882291.db2.gz VQXMYUVXQZOCIR-MNUQUWEESA-N 1 0 311.788 2.324 10 0 DEAERO CC(C)C[C@@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000333861989 403889036 /nfs/dbraw/zinc/88/90/36/403889036.db2.gz SIGXUIOVHGTSAP-LSDHHAIUSA-N 1 0 309.454 2.118 10 0 DEAERO C[NH2+][C@@H](C)c1cn(Cc2csc(Br)c2)nn1 ZINC000309314339 403960079 /nfs/dbraw/zinc/96/00/79/403960079.db2.gz NEZNCPSVOWWCAT-ZETCQYMHSA-N 1 0 301.213 2.431 10 0 DEAERO CCn1cc(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)cn1 ZINC000369577191 404149896 /nfs/dbraw/zinc/14/98/96/404149896.db2.gz FWLSIPQLBSHINT-NSHDSACASA-N 1 0 301.394 2.493 10 0 DEAERO Cn1nccc1[C@H]1CCCC[N@@H+]1CCCNC(=O)C(F)(F)F ZINC000369612370 404165253 /nfs/dbraw/zinc/16/52/53/404165253.db2.gz HQFITJQWJGGFJA-GFCCVEGCSA-N 1 0 318.343 2.016 10 0 DEAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000329009825 404199182 /nfs/dbraw/zinc/19/91/82/404199182.db2.gz ZKFZQYIKECJVDV-QVHKTLOISA-N 1 0 306.410 2.133 10 0 DEAERO O=C(CCC(=O)N1CC[NH+]2CCC1CC2)c1ccc(Cl)cn1 ZINC000329319204 404300044 /nfs/dbraw/zinc/30/00/44/404300044.db2.gz IMZJELOKMUTEEP-UHFFFAOYSA-N 1 0 321.808 2.005 10 0 DEAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)nn1 ZINC000329545250 404371762 /nfs/dbraw/zinc/37/17/62/404371762.db2.gz ZHAUQEALZOAGBA-LCGIIJARSA-N 1 0 322.453 2.169 10 0 DEAERO c1nnn(Cc2ccccc2)c1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000291981514 404612266 /nfs/dbraw/zinc/61/22/66/404612266.db2.gz RXRAOANLGVQHSE-MSOLQXFVSA-N 1 0 311.433 2.043 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@H]1COc2ccccc2C1 ZINC000291994555 404618014 /nfs/dbraw/zinc/61/80/14/404618014.db2.gz UGVSXDHFRWFOPX-QGZVFWFLSA-N 1 0 320.396 2.420 10 0 DEAERO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000373914250 404637338 /nfs/dbraw/zinc/63/73/38/404637338.db2.gz XZNAUWDBBRKMLC-YPMHNXCESA-N 1 0 311.344 2.211 10 0 DEAERO O=C(C[N@H+]1CCCC[C@H](CO)C1)N(Cc1ccccc1)C1CC1 ZINC000374038019 404676168 /nfs/dbraw/zinc/67/61/68/404676168.db2.gz MNUADBWCSMYHNT-KRWDZBQOSA-N 1 0 316.445 2.272 10 0 DEAERO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000365635644 404704127 /nfs/dbraw/zinc/70/41/27/404704127.db2.gz HTPLFTBYPNHGGO-UHFFFAOYSA-N 1 0 315.417 2.345 10 0 DEAERO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2)CC12COC2 ZINC000451141764 404878806 /nfs/dbraw/zinc/87/88/06/404878806.db2.gz VZYSQZPURXZUNX-DOMZBBRYSA-N 1 0 307.365 2.398 10 0 DEAERO CC(C)COCCC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000360897060 404847483 /nfs/dbraw/zinc/84/74/83/404847483.db2.gz KKRYLAIPDXSVCW-UHFFFAOYSA-N 1 0 314.470 2.008 10 0 DEAERO CC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1COC1 ZINC000451289323 404941168 /nfs/dbraw/zinc/94/11/68/404941168.db2.gz VIUMYAODMMSTEZ-CYBMUJFWSA-N 1 0 303.324 2.330 10 0 DEAERO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccsc1Br ZINC000388965557 405036187 /nfs/dbraw/zinc/03/61/87/405036187.db2.gz HMPTUXSSCSHHNH-KWQFWETISA-N 1 0 306.225 2.140 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000367291725 404998454 /nfs/dbraw/zinc/99/84/54/404998454.db2.gz PCAWTEUSTABAFX-CVEARBPZSA-N 1 0 302.418 2.260 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2Br)C1 ZINC000389991150 405043337 /nfs/dbraw/zinc/04/33/37/405043337.db2.gz NIVQXKYBGKTIFC-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO 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DXSTWXSVCFBTBD-ZDUSSCGKSA-N 1 0 310.438 2.051 10 0 DEAERO c1nc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)cc2c1OCCO2 ZINC000639297285 406028563 /nfs/dbraw/zinc/02/85/63/406028563.db2.gz RHMYQBJMDLVJLR-YOEHRIQHSA-N 1 0 304.390 2.290 10 0 DEAERO COCCC1(C)C[NH+](Cc2ccc(OCC(=O)OC)cc2)C1 ZINC000459631643 405990811 /nfs/dbraw/zinc/99/08/11/405990811.db2.gz IZFWGFKCSZEZOD-UHFFFAOYSA-N 1 0 307.390 2.097 10 0 DEAERO CO[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(O)cc1 ZINC000515419692 406067792 /nfs/dbraw/zinc/06/77/92/406067792.db2.gz YJTWOTBURMEEMC-BTFYYFJDSA-N 1 0 318.417 2.211 10 0 DEAERO CN(Cc1ccncc1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000639392468 406079408 /nfs/dbraw/zinc/07/94/08/406079408.db2.gz HMKFXOUJPVFLTF-AWEZNQCLSA-N 1 0 310.239 2.370 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCCN1CCCC1=O)CC2 ZINC000533767516 406162075 /nfs/dbraw/zinc/16/20/75/406162075.db2.gz NQHVBUFMSGDOFS-UHFFFAOYSA-N 1 0 314.429 2.302 10 0 DEAERO CO[C@@H]1CC[C@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000472339898 406138191 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c1nc2nc(N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc(-c3ccccc3)n2n1 ZINC000634807551 406293585 /nfs/dbraw/zinc/29/35/85/406293585.db2.gz SAYRGQRHPKTNBA-GASCZTMLSA-N 1 0 320.400 2.122 10 0 DEAERO O=C(c1occc1Br)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632858319 406294620 /nfs/dbraw/zinc/29/46/20/406294620.db2.gz LDLCXYKPXBLTJT-ONGXEEELSA-N 1 0 313.195 2.256 10 0 DEAERO Cc1cc([C@@H]2CCCN2C(=O)NCC[N@H+]2CC=C(C)CC2)on1 ZINC000546566491 406362624 /nfs/dbraw/zinc/36/26/24/406362624.db2.gz LUNBRRYIJMWVDZ-HNNXBMFYSA-N 1 0 318.421 2.482 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCC[C@H]2CCO[C@@H](C)C2)CC1 ZINC000546566035 406363005 /nfs/dbraw/zinc/36/30/05/406363005.db2.gz JNLSJEWYKVFJGG-HOTGVXAUSA-N 1 0 309.454 2.143 10 0 DEAERO C/C=C\c1ccc(OCC(=O)NC[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000521610781 406356825 /nfs/dbraw/zinc/35/68/25/406356825.db2.gz RBEAUPWTIZLEHR-QTLSWZBMSA-N 1 0 318.417 2.223 10 0 DEAERO CCNC(=O)N1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000548034292 406470161 /nfs/dbraw/zinc/47/01/61/406470161.db2.gz UKRYHAMDUYLNOP-ZDUSSCGKSA-N 1 0 319.434 2.032 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCC1CCCC1 ZINC000637925123 406480528 /nfs/dbraw/zinc/48/05/28/406480528.db2.gz IEHRQGJBAPMYBC-KRWDZBQOSA-N 1 0 303.450 2.142 10 0 DEAERO [NH3+]C1(CC(=O)NC2CCC2)CCN(Cc2ccccc2)CC1 ZINC000637927307 406480924 /nfs/dbraw/zinc/48/09/24/406480924.db2.gz NAQWNVWERWRRLF-UHFFFAOYSA-N 1 0 301.434 2.039 10 0 DEAERO C[C@H](N(C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000637930079 406482720 /nfs/dbraw/zinc/48/27/20/406482720.db2.gz SMPKFAVUQMMTBJ-HOCLYGCPSA-N 1 0 305.466 2.339 10 0 DEAERO COC[C@@]1(C(=O)NCc2ccc(Cl)s2)CCCC[NH2+]1 ZINC000637932262 406483844 /nfs/dbraw/zinc/48/38/44/406483844.db2.gz ZKZHGEDAEALOFU-CYBMUJFWSA-N 1 0 302.827 2.176 10 0 DEAERO CC[N@@H+]1CCC[C@H](CNCc2cnnn2Cc2ccccc2)C1 ZINC000490793410 406494200 /nfs/dbraw/zinc/49/42/00/406494200.db2.gz GXIGEXJGQBRTDC-QGZVFWFLSA-N 1 0 313.449 2.148 10 0 DEAERO c1c(C[N@@H+]2CCC[C@H]2C2CCCC2)nnn1C[C@H]1CCOC1 ZINC000637966289 406500455 /nfs/dbraw/zinc/50/04/55/406500455.db2.gz XDWKADJCVXUOIR-PBHICJAKSA-N 1 0 304.438 2.469 10 0 DEAERO C[C@H]1Cc2ccccc2N1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637868527 406454266 /nfs/dbraw/zinc/45/42/66/406454266.db2.gz OMMGWNQODDUFKC-MAUKXSAKSA-N 1 0 323.440 2.424 10 0 DEAERO Cc1cc(NC(=O)[C@@]2(C)C[NH2+]CCO2)ccc1Br ZINC000637872764 406456239 /nfs/dbraw/zinc/45/62/39/406456239.db2.gz VEECRJSPWUBGQB-CYBMUJFWSA-N 1 0 313.195 2.075 10 0 DEAERO CC(C)CC[C@H](C)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637873533 406456850 /nfs/dbraw/zinc/45/68/50/406456850.db2.gz PCMHLDDPPSNJNF-RDJZCZTQSA-N 1 0 305.466 2.387 10 0 DEAERO [NH3+][C@H]1CC=C(C(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000637896260 406467919 /nfs/dbraw/zinc/46/79/19/406467919.db2.gz KCEYRJABBSXLOV-INIZCTEOSA-N 1 0 300.402 2.242 10 0 DEAERO CC(=O)N1CCCc2cc(NC(=O)C[C@H]3CC[N@@H+](C)C3)ccc21 ZINC000635475172 406553453 /nfs/dbraw/zinc/55/34/53/406553453.db2.gz YXYUZNDMIHRTDO-CQSZACIVSA-N 1 0 315.417 2.266 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]1C1CCC1 ZINC000637968962 406501959 /nfs/dbraw/zinc/50/19/59/406501959.db2.gz CUMCNYZDJKZNHD-ROUUACIJSA-N 1 0 315.461 2.237 10 0 DEAERO c1cc(C[NH2+]Cc2ccccc2CN2CCOCC2)sn1 ZINC000638305004 406686075 /nfs/dbraw/zinc/68/60/75/406686075.db2.gz OJLMWKVBWQPGON-UHFFFAOYSA-N 1 0 303.431 2.265 10 0 DEAERO C[C@H](CN1CCCC1=O)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000491813123 406733305 /nfs/dbraw/zinc/73/33/05/406733305.db2.gz LLWQNEITKYHCND-ODIFPOPNSA-N 1 0 302.418 2.335 10 0 DEAERO [NH3+]Cc1cnc(-c2sccc2I)o1 ZINC000575454662 406811139 /nfs/dbraw/zinc/81/11/39/406811139.db2.gz OULYXTIYNUXSHW-UHFFFAOYSA-N 1 0 306.128 2.466 10 0 DEAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643617667 407017578 /nfs/dbraw/zinc/01/75/78/407017578.db2.gz LXLLJQIRVFKGMW-PBHICJAKSA-N 1 0 302.418 2.050 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1Oc2ccccc2[C@H]1C)C1CCS(=O)(=O)CC1 ZINC000368281847 287039147 /nfs/dbraw/zinc/03/91/47/287039147.db2.gz OYJDTOHTGFGHOD-PBFPGSCMSA-N 1 0 323.458 2.354 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)OC[C@@H]1CCCCO1 ZINC000253549310 287223128 /nfs/dbraw/zinc/22/31/28/287223128.db2.gz QGWNSMHYSAAVFB-HZMVEIRTSA-N 1 0 324.465 2.046 10 0 DEAERO COc1cccc(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000129205286 196028373 /nfs/dbraw/zinc/02/83/73/196028373.db2.gz DACYHDPSJTYXHV-CQSZACIVSA-N 1 0 320.437 2.011 10 0 DEAERO C[C@@H](CS(=O)(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000129158962 196024286 /nfs/dbraw/zinc/02/42/86/196024286.db2.gz IMCIACUZALDZJH-GOEBONIOSA-N 1 0 310.463 2.099 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000129601978 196061716 /nfs/dbraw/zinc/06/17/16/196061716.db2.gz ZZQGWGDEPLQPPC-ZDUSSCGKSA-N 1 0 312.211 2.481 10 0 DEAERO COc1ccc2c(c1)C[C@@](C[NH3+])(N1CCCSCC1)CC2 ZINC000129630089 196063276 /nfs/dbraw/zinc/06/32/76/196063276.db2.gz ZFFIXYIZWLCKMA-KRWDZBQOSA-N 1 0 306.475 2.320 10 0 DEAERO COc1ccc(OC[C@@H]2CC[C@@H](C[NH3+])O2)c(Br)c1 ZINC000129630457 196063291 /nfs/dbraw/zinc/06/32/91/196063291.db2.gz OIINYDDDXDUHAB-QWRGUYRKSA-N 1 0 316.195 2.343 10 0 DEAERO COCC[NH2+]CCCOc1ccc(OC)cc1Br ZINC000129645078 196065351 /nfs/dbraw/zinc/06/53/51/196065351.db2.gz PRGZQRVDFGJVQO-UHFFFAOYSA-N 1 0 318.211 2.463 10 0 DEAERO CCCNc1cc(C)[nH+]cc1C(=O)N[C@@H](C)CC[S@](C)=O ZINC000129660310 196065752 /nfs/dbraw/zinc/06/57/52/196065752.db2.gz KSJNVKTVAKJDSL-WIUDPPPLSA-N 1 0 311.451 2.099 10 0 DEAERO COC(=O)c1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000129811767 196077279 /nfs/dbraw/zinc/07/72/79/196077279.db2.gz BYZXBELHGSAILR-UHFFFAOYSA-N 1 0 318.417 2.323 10 0 DEAERO C[NH2+]C1(C)CCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000129812018 196077918 /nfs/dbraw/zinc/07/79/18/196077918.db2.gz YJUSFWUDKWZHDS-UHFFFAOYSA-N 1 0 312.211 2.058 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]c(=O)cc1C)CC(C)C ZINC000129837657 196080123 /nfs/dbraw/zinc/08/01/23/196080123.db2.gz LITLWXXPONSOKT-CQSZACIVSA-N 1 0 307.438 2.170 10 0 DEAERO C[C@H]([NH2+][C@H]1CCc2ccccc2C1)C(=O)NCC(F)(F)F ZINC000130503549 196086603 /nfs/dbraw/zinc/08/66/03/196086603.db2.gz QSBMEDHYRJRALH-GWCFXTLKSA-N 1 0 300.324 2.201 10 0 DEAERO [NH3+]C1CCN([C@@H]2CCN(c3snc4ccccc43)C2)CC1 ZINC000130864916 196117697 /nfs/dbraw/zinc/11/76/97/196117697.db2.gz LGLXUDNBKFYOBH-CYBMUJFWSA-N 1 0 302.447 2.298 10 0 DEAERO CC[NH2+][C@H](Cc1nccn1C)c1ccc(Br)cn1 ZINC000130871890 196118560 /nfs/dbraw/zinc/11/85/60/196118560.db2.gz TWYPRTQPQBPRPC-GFCCVEGCSA-N 1 0 309.211 2.471 10 0 DEAERO c1[nH]nc2cc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)ccc12 ZINC000130977630 196128928 /nfs/dbraw/zinc/12/89/28/196128928.db2.gz RYZCOTWWPQCEEV-KRWDZBQOSA-N 1 0 314.433 2.250 10 0 DEAERO C[NH2+][C@@H](c1cccc2c1OCCC2)[C@@H]1CCCCS1(=O)=O ZINC000131087450 196138215 /nfs/dbraw/zinc/13/82/15/196138215.db2.gz RGUCAFQEOVTWKH-GJZGRUSLSA-N 1 0 309.431 2.239 10 0 DEAERO Brc1cccc(Cc2ncc3c(n2)CC[NH2+]C3)c1 ZINC000131085955 196138559 /nfs/dbraw/zinc/13/85/59/196138559.db2.gz QWFHWFQAPVYOMM-UHFFFAOYSA-N 1 0 304.191 2.476 10 0 DEAERO CC[NH2+][C@H](C)c1c(CC)nn([C@@H]2CCS(=O)(=O)C2)c1CC ZINC000131105899 196140240 /nfs/dbraw/zinc/14/02/40/196140240.db2.gz SSFOZFNQEVSOCG-VXGBXAGGSA-N 1 0 313.467 2.038 10 0 DEAERO CCCNc1nc(Cl)nc(N[C@H](C[NH+](C)C)C(C)C)n1 ZINC000131125914 196142028 /nfs/dbraw/zinc/14/20/28/196142028.db2.gz UCCXONQEYWLFLU-SNVBAGLBSA-N 1 0 300.838 2.345 10 0 DEAERO O=S1(=O)CCC[C@H](NC2=[NH+]CC3(CCCCC3)CS2)C1 ZINC000131154340 196144901 /nfs/dbraw/zinc/14/49/01/196144901.db2.gz UJYZNDUMEDOAQL-LBPRGKRZSA-N 1 0 316.492 2.207 10 0 DEAERO CCc1ccc(CCC(=O)N2CC[NH+]([C@H](CC)CO)CC2)cc1 ZINC000131257346 196153758 /nfs/dbraw/zinc/15/37/58/196153758.db2.gz NUBAIQUCVVLWBK-GOSISDBHSA-N 1 0 318.461 2.097 10 0 DEAERO C[S@](=O)CC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000131358562 196162288 /nfs/dbraw/zinc/16/22/88/196162288.db2.gz DBCHLFINULGBTP-PIGZYNQJSA-N 1 0 318.236 2.241 10 0 DEAERO O=C(Nc1ccc(Cl)cc1Br)[C@H]1C[NH2+]CCO1 ZINC000131554456 196179695 /nfs/dbraw/zinc/17/96/95/196179695.db2.gz WLEBIWYCNXRXMB-SNVBAGLBSA-N 1 0 319.586 2.029 10 0 DEAERO COCC[NH2+]CC(=O)Nc1ccc(Cl)cc1Br ZINC000131581898 196182162 /nfs/dbraw/zinc/18/21/62/196182162.db2.gz POZWLCSEBIBRNN-UHFFFAOYSA-N 1 0 321.602 2.277 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000131797853 196199921 /nfs/dbraw/zinc/19/99/21/196199921.db2.gz WERXEBRWQFREKD-GXSJLCMTSA-N 1 0 302.827 2.149 10 0 DEAERO COC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(C)cc1Br ZINC000131802120 196200306 /nfs/dbraw/zinc/20/03/06/196200306.db2.gz XWODNRHLPJLNSF-VIFPVBQESA-N 1 0 321.602 2.323 10 0 DEAERO CCn1nc(C)c(Br)c1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000131983648 196216651 /nfs/dbraw/zinc/21/66/51/196216651.db2.gz BHHFTSKCWCGFNZ-GXSJLCMTSA-N 1 0 315.259 2.286 10 0 DEAERO Cc1cccc(-n2nnnc2C[NH2+]C(C)C)c1Br ZINC000132219819 196235910 /nfs/dbraw/zinc/23/59/10/196235910.db2.gz YQCJFRGVBNPINP-UHFFFAOYSA-N 1 0 310.199 2.231 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1sc2cccnc2c1N ZINC000132212690 196236269 /nfs/dbraw/zinc/23/62/69/196236269.db2.gz WKIKZVAXNLXFIF-JTQLQIEISA-N 1 0 304.419 2.093 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCOCC1 ZINC000132224938 196237421 /nfs/dbraw/zinc/23/74/21/196237421.db2.gz OBXYHUZRDHUBOX-UHFFFAOYSA-N 1 0 306.259 2.291 10 0 DEAERO CCOC(C)(C)[C@H](Cc1c(Br)c(C)nn1C)[NH2+]C ZINC000132303901 196243202 /nfs/dbraw/zinc/24/32/02/196243202.db2.gz XRZZAGBQYVFRPZ-NSHDSACASA-N 1 0 318.259 2.437 10 0 DEAERO C[C@@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)[C@@H]1CC[NH2+]C1 ZINC000132504029 196260962 /nfs/dbraw/zinc/26/09/62/196260962.db2.gz QGBLPAFTIHXJKK-PHDIDXHHSA-N 1 0 308.250 2.110 10 0 DEAERO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)s1 ZINC000132520502 196262065 /nfs/dbraw/zinc/26/20/65/196262065.db2.gz IOIVAGUMLDKLBI-XPUUQOCRSA-N 1 0 309.357 2.478 10 0 DEAERO Nc1cc[nH+]cc1CC(=O)c1cc(Br)ccc1N ZINC000132814017 196286354 /nfs/dbraw/zinc/28/63/54/196286354.db2.gz HDWVDOQPPPYRLE-UHFFFAOYSA-N 1 0 306.163 2.434 10 0 DEAERO CCCn1ncc(Br)c1[C@@H](O)[C@H]1CCC[NH2+]C1 ZINC000132877332 196292522 /nfs/dbraw/zinc/29/25/22/196292522.db2.gz MUIVCANHFUJTFY-CABZTGNLSA-N 1 0 302.216 2.089 10 0 DEAERO CCc1nn(CC)c(C[NH2+][C@H](C)CCO)c1Br ZINC000132917323 196295926 /nfs/dbraw/zinc/29/59/26/196295926.db2.gz NRNQMUGSJFCTFA-SECBINFHSA-N 1 0 304.232 2.088 10 0 DEAERO C[C@@H](CCO)[NH2+]C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000133000272 196304006 /nfs/dbraw/zinc/30/40/06/196304006.db2.gz PZGQPLDEDZORMK-CABZTGNLSA-N 1 0 300.196 2.113 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000133030583 196306314 /nfs/dbraw/zinc/30/63/14/196306314.db2.gz RUZUPNXYCANEDH-GMSGAONNSA-N 1 0 300.145 2.485 10 0 DEAERO C[C@@H]([NH3+])CCCC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000133103045 196311384 /nfs/dbraw/zinc/31/13/84/196311384.db2.gz XQSWKHSVVCJJDW-SNVBAGLBSA-N 1 0 311.813 2.498 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@]1(O)CCC[C@H]([NH3+])C1 ZINC000133307084 196329787 /nfs/dbraw/zinc/32/97/87/196329787.db2.gz UFDLZGFDZSBAJJ-GWCFXTLKSA-N 1 0 316.243 2.149 10 0 DEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(Br)c1O ZINC000133823400 196338930 /nfs/dbraw/zinc/33/89/30/196338930.db2.gz SITSNBYNBNTGAB-XCBNKYQSSA-N 1 0 301.184 2.467 10 0 DEAERO CC[C@H](C)C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000133852202 196339426 /nfs/dbraw/zinc/33/94/26/196339426.db2.gz WPSMZVYZKBSHQP-VIFPVBQESA-N 1 0 302.216 2.436 10 0 DEAERO CC[C@@H](C)C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000133851997 196339857 /nfs/dbraw/zinc/33/98/57/196339857.db2.gz WPSMZVYZKBSHQP-SECBINFHSA-N 1 0 302.216 2.436 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1O ZINC000133854540 196340250 /nfs/dbraw/zinc/34/02/50/196340250.db2.gz GPKCOLMDEHDJDJ-MRVPVSSYSA-N 1 0 301.184 2.481 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCCOC2)C1 ZINC000246286928 287274375 /nfs/dbraw/zinc/27/43/75/287274375.db2.gz CRECTWJGVOWIFI-BRWVUGGUSA-N 1 0 323.481 2.461 10 0 DEAERO CCOC(=O)Cc1csc(N2CC[C@@H]([NH+](CC)CC)C2)n1 ZINC000133970807 196350351 /nfs/dbraw/zinc/35/03/51/196350351.db2.gz IGLBRHUQJKVAIZ-CYBMUJFWSA-N 1 0 311.451 2.169 10 0 DEAERO CC(=O)c1cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1C ZINC000571670516 292565118 /nfs/dbraw/zinc/56/51/18/292565118.db2.gz HCLGYQLCNRFXQH-SFHVURJKSA-N 1 0 300.402 2.413 10 0 DEAERO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)/C=C/c1ccccc1 ZINC000134071119 196359333 /nfs/dbraw/zinc/35/93/33/196359333.db2.gz GXLZVRTWDCCJKZ-NNLJJJQZSA-N 1 0 308.447 2.484 10 0 DEAERO CC[NH2+][C@H](CSc1n[nH]c(=O)n1C)c1cc(C)cc(C)c1 ZINC000134130814 196364481 /nfs/dbraw/zinc/36/44/81/196364481.db2.gz XGANQYIQDNLKGU-CYBMUJFWSA-N 1 0 306.435 2.168 10 0 DEAERO CN1CCC[C@]2(C[NH+]=C(N)N2c2ccccc2Br)C1 ZINC000134375883 196383566 /nfs/dbraw/zinc/38/35/66/196383566.db2.gz WDXJBLWHJXQQIC-AWEZNQCLSA-N 1 0 323.238 2.048 10 0 DEAERO C[C@H]1OCC[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000134444796 196392487 /nfs/dbraw/zinc/39/24/87/196392487.db2.gz DYXXEYDCYYYXAT-CZUORRHYSA-N 1 0 309.454 2.260 10 0 DEAERO Cc1nc(=O)n(CCC2CC[NH2+]CC2)c(C)c1Br ZINC000134492919 196396500 /nfs/dbraw/zinc/39/65/00/196396500.db2.gz IVMUBMGQGLKTES-UHFFFAOYSA-N 1 0 314.227 2.012 10 0 DEAERO CCC[NH2+][C@@H]1CSC[C@H]1c1nc(-c2ncc(C)cn2)no1 ZINC000134847077 196423863 /nfs/dbraw/zinc/42/38/63/196423863.db2.gz ORPROWBXQWUHRM-GHMZBOCLSA-N 1 0 305.407 2.034 10 0 DEAERO COc1c(NCc2ccc(Br)cc2)nc[nH+]c1NN ZINC000134994469 196436865 /nfs/dbraw/zinc/43/68/65/196436865.db2.gz GDNPSTDJLZUDFN-UHFFFAOYSA-N 1 0 324.182 2.145 10 0 DEAERO CN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(Cl)c(Br)c1 ZINC000137255843 196570369 /nfs/dbraw/zinc/57/03/69/196570369.db2.gz HSWWSBMMOZEASC-MWLCHTKSSA-N 1 0 303.587 2.333 10 0 DEAERO C[C@@H](c1nnnn1C1CCCCC1)N1CCC([NH+](C)C)CC1 ZINC000188726648 225032412 /nfs/dbraw/zinc/03/24/12/225032412.db2.gz ZPANKDHKPRUAQG-ZDUSSCGKSA-N 1 0 306.458 2.265 10 0 DEAERO C[C@H]([NH2+]CCO[C@H]1CCCCO1)c1ccc(-n2ccnn2)cc1 ZINC000193092393 225151096 /nfs/dbraw/zinc/15/10/96/225151096.db2.gz JGASNIBBUVLYOB-YOEHRIQHSA-N 1 0 316.405 2.461 10 0 DEAERO C[C@@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000190248518 225078198 /nfs/dbraw/zinc/07/81/98/225078198.db2.gz OIEOHAPOBTVYHK-LLVKDONJSA-N 1 0 320.330 2.343 10 0 DEAERO NC(=O)c1cnccc1N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000302226807 230184836 /nfs/dbraw/zinc/18/48/36/230184836.db2.gz PVNGQADGBUSCJC-CQSZACIVSA-N 1 0 302.422 2.025 10 0 DEAERO c1cc(NC2CC([NH+]3CCCCC3)C2)nc(N2CCCCC2)n1 ZINC000360093916 424836645 /nfs/dbraw/zinc/83/66/45/424836645.db2.gz PHJLYPZQFLTSTL-UHFFFAOYSA-N 1 0 315.465 2.896 10 0 DEAERO Cc1ccc(Cl)cc1NC(=O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070117900 424842090 /nfs/dbraw/zinc/84/20/90/424842090.db2.gz PFXQYPVYZABOJY-UHFFFAOYSA-N 1 0 307.785 2.072 10 0 DEAERO O[C@@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccccc1Cl ZINC000105884120 424849426 /nfs/dbraw/zinc/84/94/26/424849426.db2.gz JWCRISOCQRMDCM-BBRMVZONSA-N 1 0 320.824 2.377 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2ccc(C)c(F)c2)c1 ZINC000105881486 424849454 /nfs/dbraw/zinc/84/94/54/424849454.db2.gz GIDUOWUCPCXFDI-CYBMUJFWSA-N 1 0 304.369 2.256 10 0 DEAERO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886192 424849671 /nfs/dbraw/zinc/84/96/71/424849671.db2.gz PWBNEHXTLKHYDU-NVXWUHKLSA-N 1 0 318.465 2.290 10 0 DEAERO Cc1cc(C[NH2+][C@H]2CN(C(C)C)C[C@H]2C)ccc1S(C)(=O)=O ZINC000108104917 424851177 /nfs/dbraw/zinc/85/11/77/424851177.db2.gz BYVQXGCEJBHBSS-ZBFHGGJFSA-N 1 0 324.490 2.217 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1cccs1 ZINC000192865215 424865978 /nfs/dbraw/zinc/86/59/78/424865978.db2.gz LCFANYCJSSCDGX-JTQLQIEISA-N 1 0 307.375 2.018 10 0 DEAERO C[C@@H]([NH3+])CNC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000194858504 424878811 /nfs/dbraw/zinc/87/88/11/424878811.db2.gz FACOFVPDSAUBGT-MRXNPFEDSA-N 1 0 311.429 2.152 10 0 DEAERO CCCC(=O)Nc1cccc(CNC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000128208563 424856521 /nfs/dbraw/zinc/85/65/21/424856521.db2.gz XTFWZQIGSOZOTA-CQSZACIVSA-N 1 0 303.406 2.041 10 0 DEAERO CC(C)COC[C@H](O)C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389960818 424916381 /nfs/dbraw/zinc/91/63/81/424916381.db2.gz IDVXQEPWSDNXIJ-GOSISDBHSA-N 1 0 317.433 2.055 10 0 DEAERO CC[C@H](C)n1nc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)cc1C ZINC000333200688 424920030 /nfs/dbraw/zinc/92/00/30/424920030.db2.gz XQRULBQVZQFTBR-ZDUSSCGKSA-N 1 0 319.453 2.770 10 0 DEAERO Cc1ccc(C[NH2+]CC[C@@]2(O)CCOC2)c(Br)c1 ZINC000404212359 424925897 /nfs/dbraw/zinc/92/58/97/424925897.db2.gz QTUAUABOWTYBNW-CQSZACIVSA-N 1 0 314.223 2.389 10 0 DEAERO O[C@]1(CC[NH2+]Cc2ccc(Br)c(F)c2)CCOC1 ZINC000404208125 424925975 /nfs/dbraw/zinc/92/59/75/424925975.db2.gz OHBWZAASKFDHBV-CYBMUJFWSA-N 1 0 318.186 2.219 10 0 DEAERO C[C@@H](OCc1ccccc1)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000404563200 424928024 /nfs/dbraw/zinc/92/80/24/424928024.db2.gz ZDKDAILCMKJTTM-ZBFHGGJFSA-N 1 0 302.418 2.383 10 0 DEAERO C[C@H](OCc1ccccc1)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000404549731 424928208 /nfs/dbraw/zinc/92/82/08/424928208.db2.gz OXNDCIFUGITCNU-HOCLYGCPSA-N 1 0 302.418 2.383 10 0 DEAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1nscc1Br ZINC000404883648 424930064 /nfs/dbraw/zinc/93/00/64/424930064.db2.gz CWZLNGGJJFCRSX-SECBINFHSA-N 1 0 320.256 2.351 10 0 DEAERO [NH3+]Cc1cc(-c2cccc(I)c2)ncn1 ZINC000409436619 424935173 /nfs/dbraw/zinc/93/51/73/424935173.db2.gz NQHLNPMEIITAIE-UHFFFAOYSA-N 1 0 311.126 2.207 10 0 DEAERO C[C@]1(CNc2ccc3nncn3n2)CCC[N@@H+]1Cc1ccccc1 ZINC000564531353 424902515 /nfs/dbraw/zinc/90/25/15/424902515.db2.gz GEUBKTLNFPWAEK-GOSISDBHSA-N 1 0 322.416 2.591 10 0 DEAERO Brc1ccc2c(c1)ncnc2NCC[NH+]1CCCC1 ZINC000450223769 425065684 /nfs/dbraw/zinc/06/56/84/425065684.db2.gz PNBXVXYJYZIACN-UHFFFAOYSA-N 1 0 321.222 2.900 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2ccc(Br)cc2F)CC1=O ZINC000657695004 425387555 /nfs/dbraw/zinc/38/75/55/425387555.db2.gz SXQASJHBKAMXGI-SECBINFHSA-N 1 0 315.186 2.156 10 0 DEAERO OCC1CC([NH2+]Cc2cc3c(cc2Br)OCO3)C1 ZINC000657808769 425404566 /nfs/dbraw/zinc/40/45/66/425404566.db2.gz ODIYAWMKJSIQKO-UHFFFAOYSA-N 1 0 314.179 2.038 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCc2nc(C(C)(C)C)no2)C1 ZINC000177520915 267559071 /nfs/dbraw/zinc/55/90/71/267559071.db2.gz ZAISCGQPRFILJG-CHWSQXEVSA-N 1 0 322.453 2.289 10 0 DEAERO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000183856171 267632272 /nfs/dbraw/zinc/63/22/72/267632272.db2.gz LRVKDDVPYNEPAU-CJNGLKHVSA-N 1 0 305.422 2.329 10 0 DEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccc(Br)cc1F ZINC000659313247 425573881 /nfs/dbraw/zinc/57/38/81/425573881.db2.gz LWGJONFBZPYXSZ-QPUJVOFHSA-N 1 0 315.186 2.079 10 0 DEAERO OCC1CC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000663374818 425833244 /nfs/dbraw/zinc/83/32/44/425833244.db2.gz OQGYQGBOVYRPFR-NHNAUAITSA-N 1 0 320.216 2.094 10 0 DEAERO [NH3+]CC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000238031436 268608315 /nfs/dbraw/zinc/60/83/15/268608315.db2.gz QUSHCWLFVHJGQY-UHFFFAOYSA-N 1 0 316.323 2.325 10 0 DEAERO CN(C)c1ccc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)nc1 ZINC000333111416 268886180 /nfs/dbraw/zinc/88/61/80/268886180.db2.gz GNFQUYFBMQQLTP-UHFFFAOYSA-N 1 0 317.437 2.145 10 0 DEAERO Cc1nc(-c2cccnc2)nc(N2CCC3(CC[NH2+]3)CC2)c1C ZINC000333248329 268912113 /nfs/dbraw/zinc/91/21/13/268912113.db2.gz GDSZOWAJNNSIDD-UHFFFAOYSA-N 1 0 309.417 2.488 10 0 DEAERO CCn1nccc1C1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000333673204 268975388 /nfs/dbraw/zinc/97/53/88/268975388.db2.gz NMIAHGPTUPKIFD-CABCVRRESA-N 1 0 319.453 2.062 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1csnn1 ZINC000334119643 269021455 /nfs/dbraw/zinc/02/14/55/269021455.db2.gz KFEPXNKOOPXDGH-QWHCGFSZSA-N 1 0 323.466 2.259 10 0 DEAERO C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)c1csnn1 ZINC000334132162 269023675 /nfs/dbraw/zinc/02/36/75/269023675.db2.gz VFQPMHIRPRUDQN-LBPRGKRZSA-N 1 0 323.466 2.259 10 0 DEAERO CC(C)n1cc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)nn1 ZINC000390700298 269097757 /nfs/dbraw/zinc/09/77/57/269097757.db2.gz CJCKTEOZUYNKCE-GFCCVEGCSA-N 1 0 311.430 2.252 10 0 DEAERO CCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000393245811 269099285 /nfs/dbraw/zinc/09/92/85/269099285.db2.gz SIPAVTGWBDJOIC-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO Cc1cnc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000397583082 269107019 /nfs/dbraw/zinc/10/70/19/269107019.db2.gz HUACIOCJNSRQCH-UHFFFAOYSA-N 1 0 312.417 2.224 10 0 DEAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)C1(C)C[NH2+]C1 ZINC000399230885 269111305 /nfs/dbraw/zinc/11/13/05/269111305.db2.gz JXCCCFFXKWVHOG-SNVBAGLBSA-N 1 0 311.223 2.106 10 0 DEAERO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000246563784 274349995 /nfs/dbraw/zinc/34/99/95/274349995.db2.gz UYLYWNJUQYJLOX-KBRIMQKVSA-N 1 0 324.852 2.026 10 0 DEAERO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1CCCCO1 ZINC000249134475 274988510 /nfs/dbraw/zinc/98/85/10/274988510.db2.gz VFPOKWQSYLWDOC-APHBMKBZSA-N 1 0 324.371 2.096 10 0 DEAERO O=C(c1cccnc1C(F)(F)F)N1CCC[N@@H+](C2CC2)CC1 ZINC000188366472 275014231 /nfs/dbraw/zinc/01/42/31/275014231.db2.gz MYUXURPEGHUHAF-UHFFFAOYSA-N 1 0 313.323 2.411 10 0 DEAERO Brc1cccc2c1CC[C@@H]2[NH2+]CCn1cncn1 ZINC000271732106 275373928 /nfs/dbraw/zinc/37/39/28/275373928.db2.gz CJMAHJVMVACONT-ZDUSSCGKSA-N 1 0 307.195 2.318 10 0 DEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCCc3c1cnn3C)CC2 ZINC000180506897 275777265 /nfs/dbraw/zinc/77/72/65/275777265.db2.gz NNFUEIRAUQAEDG-OCCSQVGLSA-N 1 0 314.437 2.117 10 0 DEAERO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1nc(C)cs1 ZINC000440900927 275953651 /nfs/dbraw/zinc/95/36/51/275953651.db2.gz XLPJUIYXONLJDH-UHFFFAOYSA-N 1 0 313.423 2.102 10 0 DEAERO CCC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000246469892 276028752 /nfs/dbraw/zinc/02/87/52/276028752.db2.gz GPTKYMZXKCJXCU-CABCVRRESA-N 1 0 304.438 2.346 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459542995 276072986 /nfs/dbraw/zinc/07/29/86/276072986.db2.gz IFNDZEUINWDBHP-ZDUSSCGKSA-N 1 0 307.442 2.397 10 0 DEAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CSC(=O)N2)c1 ZINC000154953639 276110629 /nfs/dbraw/zinc/11/06/29/276110629.db2.gz CCQLGEVJRLPLFH-ZDUSSCGKSA-N 1 0 307.419 2.292 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360702384 276114343 /nfs/dbraw/zinc/11/43/43/276114343.db2.gz TZJXMTRTCDPCMB-OAHLLOKOSA-N 1 0 315.421 2.189 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc2c(cccc2OC)n1C ZINC000184146299 276155537 /nfs/dbraw/zinc/15/55/37/276155537.db2.gz CVEPUPZKOGDPSN-CYBMUJFWSA-N 1 0 316.405 2.395 10 0 DEAERO CCN1CCC[C@H]([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000249614577 276179255 /nfs/dbraw/zinc/17/92/55/276179255.db2.gz PULRBHDLZPJKTQ-HIFRSBDPSA-N 1 0 301.438 2.481 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](OC)c1ccccc1 ZINC000245430254 276180180 /nfs/dbraw/zinc/18/01/80/276180180.db2.gz ZPKYARBVLAAQPS-DLBZAZTESA-N 1 0 319.449 2.500 10 0 DEAERO CCCc1ccc([C@@H](C)N(CC(N)=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261797782 276295768 /nfs/dbraw/zinc/29/57/68/276295768.db2.gz GSGJGFRWHNQAGD-NVXWUHKLSA-N 1 0 317.477 2.487 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247476650 276369981 /nfs/dbraw/zinc/36/99/81/276369981.db2.gz QRAHPYPTIHYENE-QKPAOTATSA-N 1 0 309.454 2.070 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnc2nc(C)cc(C)n12 ZINC000123409570 276370446 /nfs/dbraw/zinc/37/04/46/276370446.db2.gz FVENHPUMKVENMB-OAHLLOKOSA-N 1 0 301.438 2.262 10 0 DEAERO CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000178868449 276570191 /nfs/dbraw/zinc/57/01/91/276570191.db2.gz USLHTXLBKITNIG-GDBMZVCRSA-N 1 0 301.434 2.243 10 0 DEAERO CC(=O)[C@@H]1C[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1(C)C ZINC000154669406 277096116 /nfs/dbraw/zinc/09/61/16/277096116.db2.gz GCACMOATHBVAIW-GWONACJQSA-N 1 0 306.450 2.369 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2cnn3c2CCCC3)[C@H]1c1ccccc1 ZINC000248059539 277169459 /nfs/dbraw/zinc/16/94/59/277169459.db2.gz OWLXQVILWPBOPZ-FUHWJXTLSA-N 1 0 324.428 2.395 10 0 DEAERO CC(C)(C)OC(=O)CCC[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369855617 277175509 /nfs/dbraw/zinc/17/55/09/277175509.db2.gz HWQJRVBTEAFJHH-KRWDZBQOSA-N 1 0 313.438 2.378 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2nc3cccnc3s2)C1 ZINC000248757929 277181667 /nfs/dbraw/zinc/18/16/67/277181667.db2.gz XGDIBWNFCCMIRJ-AAEUAGOBSA-N 1 0 316.430 2.248 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@](C)(CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000248665837 277191985 /nfs/dbraw/zinc/19/19/85/277191985.db2.gz MMSCLSXGTUQSRM-YJBOKZPZSA-N 1 0 323.481 2.414 10 0 DEAERO CC(C)=C(F)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000131875776 277321464 /nfs/dbraw/zinc/32/14/64/277321464.db2.gz QMJMUTYNPVBLDI-UHFFFAOYSA-N 1 0 311.445 2.316 10 0 DEAERO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000246044835 277500163 /nfs/dbraw/zinc/50/01/63/277500163.db2.gz OOXZQFBWCHTXLI-OFQRWUPVSA-N 1 0 309.431 2.456 10 0 DEAERO C[C@@H](O)C1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000408127517 277635968 /nfs/dbraw/zinc/63/59/68/277635968.db2.gz DVDXHAQNYCDBEB-PGBRGIIUSA-N 1 0 320.477 2.164 10 0 DEAERO CS[C@@H](C)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000122972671 278141364 /nfs/dbraw/zinc/14/13/64/278141364.db2.gz WKTNGXCPWNJRTG-ZFWWWQNUSA-N 1 0 309.479 2.210 10 0 DEAERO CC(C)n1nnnc1CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000247112044 278154830 /nfs/dbraw/zinc/15/48/30/278154830.db2.gz YEWBAJPJPAXJOR-HOTGVXAUSA-N 1 0 320.485 2.340 10 0 DEAERO CC(=O)OC(C)(C)C(=O)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000370393647 278215620 /nfs/dbraw/zinc/21/56/20/278215620.db2.gz BZOCQBOZEOIZOU-AWEZNQCLSA-N 1 0 322.449 2.051 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000450758098 278239496 /nfs/dbraw/zinc/23/94/96/278239496.db2.gz NMAUGRPATLFISA-QZTJIDSGSA-N 1 0 306.450 2.073 10 0 DEAERO CC[C@H]([NH2+]CCc1nc(C)no1)c1ccc2c(c1)OCCO2 ZINC000089518341 288042558 /nfs/dbraw/zinc/04/25/58/288042558.db2.gz HXJXTCLOTRACAX-ZDUSSCGKSA-N 1 0 303.362 2.433 10 0 DEAERO C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000237552489 278638669 /nfs/dbraw/zinc/63/86/69/278638669.db2.gz LMZPAWHWNQNEIL-DOMZBBRYSA-N 1 0 306.381 2.386 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000106541544 279318761 /nfs/dbraw/zinc/31/87/61/279318761.db2.gz LYZGZCZJTQQDPV-UONOGXRCSA-N 1 0 305.426 2.131 10 0 DEAERO O=C([C@H]1CSCCS1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107531318 280147808 /nfs/dbraw/zinc/14/78/08/280147808.db2.gz FBMPDXFDVQMOBE-ZIAGYGMSSA-N 1 0 314.520 2.312 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@@H](C)c2cccc(F)c2)CC[N@@H+]1C[C@H](C)O ZINC000247014619 280365588 /nfs/dbraw/zinc/36/55/88/280365588.db2.gz WKIFFASWJGSQLK-GRDNDAEWSA-N 1 0 322.424 2.233 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@H](C)c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000248460880 280375390 /nfs/dbraw/zinc/37/53/90/280375390.db2.gz TWSYWBKKFHYZCR-ZMSDIMECSA-N 1 0 304.434 2.094 10 0 DEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H]1CCCc3c1cnn3C)CC2 ZINC000180506923 280732034 /nfs/dbraw/zinc/73/20/34/280732034.db2.gz NNFUEIRAUQAEDG-JSGCOSHPSA-N 1 0 314.437 2.117 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)NCCC3CC3)cc2)CC1 ZINC000075179574 281560822 /nfs/dbraw/zinc/56/08/22/281560822.db2.gz ZHNGABMXOIOLFE-UHFFFAOYSA-N 1 0 301.434 2.358 10 0 DEAERO C[NH+](C)C1(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CCCC1 ZINC000408345225 282034651 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[NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)O1 ZINC000261757643 295274841 /nfs/dbraw/zinc/27/48/41/295274841.db2.gz FCOJRRSZJAJSHC-VQHPVUNQSA-N 1 0 302.418 2.335 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000262338379 298981661 /nfs/dbraw/zinc/98/16/61/298981661.db2.gz UBFZFBZPNYKGCG-PQEBFOHHSA-N 1 0 302.418 2.350 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c(C)c1 ZINC000227196623 301193036 /nfs/dbraw/zinc/19/30/36/301193036.db2.gz FUXYOAALGKVVLB-IUODEOHRSA-N 1 0 310.463 2.360 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000070120955 301293220 /nfs/dbraw/zinc/29/32/20/301293220.db2.gz BOWDYGLMSRHPKS-LBPRGKRZSA-N 1 0 302.827 2.069 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000229365168 301303007 /nfs/dbraw/zinc/30/30/07/301303007.db2.gz FBUVUVSYYPAKNZ-OLZOCXBDSA-N 1 0 314.426 2.109 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000333563895 325795194 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CCOc1cc(NC2CC[NH+](C[C@@H](C)COC)CC2)ncn1 ZINC000188539274 333047928 /nfs/dbraw/zinc/04/79/28/333047928.db2.gz LDVIIXWOOTWJNW-CYBMUJFWSA-N 1 0 308.426 2.034 10 0 DEAERO C[C@@H]1CCN(C(=O)c2coc(Br)c2)C[C@H]1C[NH3+] ZINC000378894560 333060917 /nfs/dbraw/zinc/06/09/17/333060917.db2.gz BPKWKXYHKCVVKT-PSASIEDQSA-N 1 0 301.184 2.099 10 0 DEAERO CC(C)CNC(=O)c1ccc2c(c1)ncn2C1CC[NH2+]CC1 ZINC000575444874 337116742 /nfs/dbraw/zinc/11/67/42/337116742.db2.gz YDTTYCWVQMXMML-UHFFFAOYSA-N 1 0 300.406 2.347 10 0 DEAERO C[NH+](C)[C@H]1CC[C@@H](n2nc(CC(N)=O)c3ccccc32)CC1 ZINC000584617666 337373082 /nfs/dbraw/zinc/37/30/82/337373082.db2.gz GOQGGMFKVYQSIJ-BETUJISGSA-N 1 0 300.406 2.109 10 0 DEAERO C[C@H](CNCc1ccc2c(c1)sc(=O)n2C)C[NH+]1CCCC1 ZINC000192485034 341844790 /nfs/dbraw/zinc/84/47/90/341844790.db2.gz IVJOSNLIPBDSOF-CYBMUJFWSA-N 1 0 319.474 2.422 10 0 DEAERO CCC(CC)(CO)C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192650548 341882119 /nfs/dbraw/zinc/88/21/19/341882119.db2.gz JAQOPENUNAVHPH-UHFFFAOYSA-N 1 0 308.447 2.488 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000187954642 533728832 /nfs/dbraw/zinc/72/88/32/533728832.db2.gz RVPKWBAXLPJOEN-SUMWQHHRSA-N 1 0 324.852 2.439 10 0 DEAERO C[C@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000190240815 533952424 /nfs/dbraw/zinc/95/24/24/533952424.db2.gz CVKQHWTVGXHPKM-NSHDSACASA-N 1 0 320.330 2.343 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000158864585 518450115 /nfs/dbraw/zinc/45/01/15/518450115.db2.gz YBUSDHHVQCZTEV-GUYCJALGSA-N 1 0 318.417 2.113 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCOc2ccccc2)[C@@H](C)C1 ZINC000156162674 519696211 /nfs/dbraw/zinc/69/62/11/519696211.db2.gz MYTRZYWXIWOSSK-HOCLYGCPSA-N 1 0 305.422 2.093 10 0 DEAERO CC(C)Nc1ncccc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247273651 519742529 /nfs/dbraw/zinc/74/25/29/519742529.db2.gz KACQNKPWEAUPPE-DZGCQCFKSA-N 1 0 304.438 2.360 10 0 DEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H](CC)c2nccs2)C1(C)C ZINC000229572100 520452684 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O=C(c1cc(-c2cccs2)on1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195325033 534656916 /nfs/dbraw/zinc/65/69/16/534656916.db2.gz JMINPPOTACHSOR-LLVKDONJSA-N 1 0 303.387 2.323 10 0 DEAERO COc1ccc(CCNC(=O)[C@H]2CC23CC[NH2+]CC3)c(Cl)c1 ZINC000237251886 523967530 /nfs/dbraw/zinc/96/75/30/523967530.db2.gz SRNXYBHFAIXUEU-CQSZACIVSA-N 1 0 322.836 2.397 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105882707 524275401 /nfs/dbraw/zinc/27/54/01/524275401.db2.gz IEDIFPCEOCQHGI-GJZGRUSLSA-N 1 0 313.405 2.017 10 0 DEAERO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[C@@H]3[NH3+])CC2)c1C ZINC000237717522 524549451 /nfs/dbraw/zinc/54/94/51/524549451.db2.gz MBQCVXWCNDYQDA-HOTGVXAUSA-N 1 0 301.434 2.079 10 0 DEAERO CC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)nc1C ZINC000362761133 534806017 /nfs/dbraw/zinc/80/60/17/534806017.db2.gz VPSXILKFKCHSMN-NHYWBVRUSA-N 1 0 317.433 2.456 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)CSCc2ccncc2)CC[N@@H+]1C ZINC000127504157 524787530 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10 0 DEAERO CS[C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000249146722 525856187 /nfs/dbraw/zinc/85/61/87/525856187.db2.gz WXVNHYAYKSISRC-OLUVUFQESA-N 1 0 314.401 2.278 10 0 DEAERO C/C=C/C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)C(=O)OCC ZINC000444309630 526295216 /nfs/dbraw/zinc/29/52/16/526295216.db2.gz AQZXKOYQBULULT-HRYQKYCXSA-N 1 0 310.438 2.262 10 0 DEAERO CC(=O)N(Cc1ccc(NC(=O)N[C@@H](C)[C@H](C)[NH3+])cc1)C1CC1 ZINC000415196316 526497438 /nfs/dbraw/zinc/49/74/38/526497438.db2.gz RJPJUAMIWOFJBI-RYUDHWBXSA-N 1 0 318.421 2.055 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000157618943 527585347 /nfs/dbraw/zinc/58/53/47/527585347.db2.gz FRJZWPDWQZBYJH-NWDGAFQWSA-N 1 0 315.483 2.278 10 0 DEAERO CCOc1cc(Cl)ccc1CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417940470 528292485 /nfs/dbraw/zinc/29/24/85/528292485.db2.gz YYIVSPYASWFNNN-GWCFXTLKSA-N 1 0 311.813 2.370 10 0 DEAERO CC(C)c1nc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)nc(N(C)C)n1 ZINC000301968657 528296024 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CCN1C[C@@H](C[N@H+](C)C/C=C(\C)C(=O)OC)Oc2ccccc21 ZINC000748810679 638593836 /nfs/dbraw/zinc/59/38/36/638593836.db2.gz ZFSNVZHJIJQRPW-YVGNARHYSA-N 1 0 318.417 2.325 10 0 DEAERO CCN(C[C@@H]1CC[N@H+](C/C=C(\C)C(=O)OC)C1)CC(F)(F)F ZINC000748825828 638596094 /nfs/dbraw/zinc/59/60/94/638596094.db2.gz ZHAFJWWACVXBKR-YFTXEMMHSA-N 1 0 322.371 2.312 10 0 DEAERO COc1ccc(OC)c([C@H](C)NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000237271853 638725743 /nfs/dbraw/zinc/72/57/43/638725743.db2.gz MYAVIWVWZWFMIQ-LBPRGKRZSA-N 1 0 306.406 2.400 10 0 DEAERO C[S@@](=O)c1ccc(CNC(=[NH2+])NCCc2cccs2)cc1 ZINC000079918018 640533615 /nfs/dbraw/zinc/53/36/15/640533615.db2.gz XKIIZBGGOHFYQA-NRFANRHFSA-N 1 0 321.471 2.133 10 0 DEAERO COc1ccccc1CC(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000192462650 640706459 /nfs/dbraw/zinc/70/64/59/640706459.db2.gz JDKWQRHBBIBPSK-INIZCTEOSA-N 1 0 321.417 2.138 10 0 DEAERO O=C(c1cc(C2CC2)n[nH]1)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067817527 642748545 /nfs/dbraw/zinc/74/85/45/642748545.db2.gz 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COCC[C@@H]([NH3+])C(=O)Nc1cccc(Br)c1C ZINC000232211177 646796261 /nfs/dbraw/zinc/79/62/61/646796261.db2.gz QQDLSMXENYEESX-SNVBAGLBSA-N 1 0 301.184 2.060 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CCOCC(F)F ZINC000232500239 646810513 /nfs/dbraw/zinc/81/05/13/646810513.db2.gz PDUADLTZOVZVJG-LLVKDONJSA-N 1 0 308.369 2.257 10 0 DEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000232833916 647434141 /nfs/dbraw/zinc/43/41/41/647434141.db2.gz HTMDKCYVHDDARS-GFCCVEGCSA-N 1 0 309.797 2.156 10 0 DEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000232834886 647434963 /nfs/dbraw/zinc/43/49/63/647434963.db2.gz GDIJDAXDSGJBHY-GFCCVEGCSA-N 1 0 309.797 2.156 10 0 DEAERO C[C@@H](CNC(=O)c1cc(Cl)nc(N(C)C)c1)C[NH+]1CCCC1 ZINC000733132617 647891162 /nfs/dbraw/zinc/89/11/62/647891162.db2.gz BEZYRQKUAWZMJN-LBPRGKRZSA-N 1 0 324.856 2.263 10 0 DEAERO CN(C)c1cc(C(=O)NCC2([NH+](C)C)CCCC2)cc(Cl)n1 ZINC000733133394 647891171 /nfs/dbraw/zinc/89/11/71/647891171.db2.gz CXOWIKDAPMPYJK-UHFFFAOYSA-N 1 0 324.856 2.405 10 0 DEAERO COc1c(F)ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1F ZINC000067965530 648397020 /nfs/dbraw/zinc/39/70/20/648397020.db2.gz VIFUIDITGSZYRL-MRXNPFEDSA-N 1 0 310.344 2.189 10 0 DEAERO [NH3+]C1(CNS(=O)(=O)c2cccc3ncccc32)CCCCC1 ZINC000237787310 648419571 /nfs/dbraw/zinc/41/95/71/648419571.db2.gz WYJYIMKPALMBKQ-UHFFFAOYSA-N 1 0 319.430 2.175 10 0 DEAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000180530540 648495861 /nfs/dbraw/zinc/49/58/61/648495861.db2.gz KJXZRMYTKWTAIG-AWEZNQCLSA-N 1 0 322.453 2.472 10 0 DEAERO Cc1noc(Cl)c1CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000069952013 648813082 /nfs/dbraw/zinc/81/30/82/648813082.db2.gz YRHACGWTQCBSAQ-CHWSQXEVSA-N 1 0 311.813 2.264 10 0 DEAERO C[C@H]([NH2+]CCCOC(=O)NC(N)=O)C12CC3CC(CC(C3)C1)C2 ZINC000183642199 649126065 /nfs/dbraw/zinc/12/60/65/649126065.db2.gz XPHFROVYNRSZRU-GVMDUPDNSA-N 1 0 323.437 2.376 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C(C)(C)O)cc2)C1 ZINC000184678479 649344433 /nfs/dbraw/zinc/34/44/33/649344433.db2.gz HUZLSLDEFCXZDO-MRXNPFEDSA-N 1 0 319.449 2.198 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)/C=C/c1ccccc1 ZINC000111353049 652550296 /nfs/dbraw/zinc/55/02/96/652550296.db2.gz ZRSUIKARBSJMIQ-BYIUCRAPSA-N 1 0 308.447 2.451 10 0 DEAERO COC(=O)/C(C)=C\CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000382562592 685404585 /nfs/dbraw/zinc/40/45/85/685404585.db2.gz XVJTYQSVYFSUEL-QOBZYLRHSA-N 1 0 302.418 2.312 10 0 DEAERO c1ccc2c(c1)OC[C@H](CN1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)O2 ZINC000386910557 685419839 /nfs/dbraw/zinc/41/98/39/685419839.db2.gz KEAYNOKUMVGVQU-PMPSAXMXSA-N 1 0 302.418 2.290 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ncccc3Br)C[C@@H]21 ZINC000386678443 685419093 /nfs/dbraw/zinc/41/90/93/685419093.db2.gz XWSQCCLGSBIGTI-GMXVVIOVSA-N 1 0 310.239 2.403 10 0 DEAERO c1ccc(C2(c3noc(C[C@H]4CC[NH2+]C4)n3)CCOCC2)cc1 ZINC000390393304 685439688 /nfs/dbraw/zinc/43/96/88/685439688.db2.gz QTSUIINLZVAKPI-CQSZACIVSA-N 1 0 313.401 2.318 10 0 DEAERO C[C@@H]1C[NH+](CCCNC(=O)CSC(C)(C)C)C[C@@H](C)O1 ZINC000078604682 683964157 /nfs/dbraw/zinc/96/41/57/683964157.db2.gz CTUPQYSSVMFSEC-CHWSQXEVSA-N 1 0 302.484 2.134 10 0 DEAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000093795572 684051426 /nfs/dbraw/zinc/05/14/26/684051426.db2.gz GMSADIAVRUYQNL-HOTGVXAUSA-N 1 0 315.417 2.248 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)c2ccc(NC=O)cc2)CC1 ZINC000120013755 684090466 /nfs/dbraw/zinc/09/04/66/684090466.db2.gz DMKBYNNEXWQFFM-UHFFFAOYSA-N 1 0 303.406 2.105 10 0 DEAERO CC[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc2c(c1)CCO2 ZINC000125558604 684146792 /nfs/dbraw/zinc/14/67/92/684146792.db2.gz SERIZPIVDVAIIN-SJLPKXTDSA-N 1 0 305.418 2.451 10 0 DEAERO CCc1ccc(CN2CCN(C(=O)CCCCC[NH3+])CC2)s1 ZINC000155649798 684277651 /nfs/dbraw/zinc/27/76/51/684277651.db2.gz GYLBQQZVPUUSCK-UHFFFAOYSA-N 1 0 323.506 2.474 10 0 DEAERO C/C(=C\C(=O)N1CCN(CCO)[C@@H](C)C1)c1ccccc1Cl ZINC000188766306 684363565 /nfs/dbraw/zinc/36/35/65/684363565.db2.gz DEJYUGCRIBUTJV-CMPYXILNSA-N 1 0 322.836 2.268 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC2CCC3(CC2)OCCO3)C1 ZINC000191307988 684425010 /nfs/dbraw/zinc/42/50/10/684425010.db2.gz ZBBRKXWAKDLCFH-ZBFHGGJFSA-N 1 0 324.465 2.155 10 0 DEAERO CCCc1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000193735350 685048662 /nfs/dbraw/zinc/04/86/62/685048662.db2.gz UUSHVSSFENEXOG-UHFFFAOYSA-N 1 0 317.433 2.130 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NOCc1ccccc1 ZINC000194138200 685057762 /nfs/dbraw/zinc/05/77/62/685057762.db2.gz KXQREVUECXYCLE-UHFFFAOYSA-N 1 0 314.385 2.489 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000194696950 685074884 /nfs/dbraw/zinc/07/48/84/685074884.db2.gz WRHRYRWDSJVQBK-AWEZNQCLSA-N 1 0 316.430 2.359 10 0 DEAERO CC[C@@H]1CCc2c(sc(=O)n2CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247166891 685144207 /nfs/dbraw/zinc/14/42/07/685144207.db2.gz TUAGCBAFIKUFBB-KGLIPLIRSA-N 1 0 321.490 2.162 10 0 DEAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC000248589995 685162793 /nfs/dbraw/zinc/16/27/93/685162793.db2.gz ZDDXCSDIRRMEOC-GPCCPHFNSA-N 1 0 314.788 2.098 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000248925084 685171618 /nfs/dbraw/zinc/17/16/18/685171618.db2.gz LMCFDTAHHDQKEX-RBSFLKMASA-N 1 0 309.454 2.369 10 0 DEAERO C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)N1CCc2ccccc21 ZINC000249747939 685186959 /nfs/dbraw/zinc/18/69/59/685186959.db2.gz OCDUMDKNXABZPP-HOTGVXAUSA-N 1 0 315.461 2.428 10 0 DEAERO c1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc2c1OCO2 ZINC000274036218 685208125 /nfs/dbraw/zinc/20/81/25/685208125.db2.gz QBNDFUQTBNBTPV-SMDDNHRTSA-N 1 0 315.329 2.001 10 0 DEAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)CC2(OC)CCC2)C1 ZINC000886094241 692002169 /nfs/dbraw/zinc/00/21/69/692002169.db2.gz XARGGPAAJOSPPZ-OAGGEKHMSA-N 1 0 324.465 2.046 10 0 DEAERO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cnn[nH]1 ZINC000398356017 790267086 /nfs/dbraw/zinc/26/70/86/790267086.db2.gz LKFKVHRKCDYUII-AAEUAGOBSA-N 1 0 309.414 2.072 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000722597110 776544387 /nfs/dbraw/zinc/54/43/87/776544387.db2.gz OEQAEDBWYKJMJB-YNEHKIRRSA-N 1 0 314.476 2.031 10 0 DEAERO CC(C)(C[NH2+]C[C@H](O)c1ccc(Cl)cc1)CS(C)(=O)=O ZINC000723850972 777187751 /nfs/dbraw/zinc/18/77/51/777187751.db2.gz RNZQVMMDXZCCDJ-ZDUSSCGKSA-N 1 0 319.854 2.034 10 0 DEAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)[C@@H]1CCCOC1 ZINC000723995362 777217471 /nfs/dbraw/zinc/21/74/71/777217471.db2.gz PIHKFTDGBLNLAK-TUVASFSCSA-N 1 0 303.468 2.137 10 0 DEAERO CCN(CC)C[C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724040219 777226474 /nfs/dbraw/zinc/22/64/74/777226474.db2.gz GQBFSDNMHIGCRN-ZJUUUORDSA-N 1 0 306.319 2.255 10 0 DEAERO CCCN(CC)CC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724041230 777227685 /nfs/dbraw/zinc/22/76/85/777227685.db2.gz MKXCQJCTAMCNGE-JTQLQIEISA-N 1 0 306.319 2.257 10 0 DEAERO C[C@](O)(C[N@@H+]1CC[C@]2(CCOC2)C1)C(F)(F)C(F)(F)F ZINC000724109852 777242304 /nfs/dbraw/zinc/24/23/04/777242304.db2.gz PQPRKSLQWITOLJ-UWVGGRQHSA-N 1 0 303.271 2.047 10 0 DEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cn(C)nc2Br)C[C@H](C)O1 ZINC000724264453 777269549 /nfs/dbraw/zinc/26/95/49/777269549.db2.gz JSPUOIVUZNBPQE-JGPRNRPPSA-N 1 0 316.243 2.476 10 0 DEAERO C/C(=C/C(C)(C)C)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000588497321 777296994 /nfs/dbraw/zinc/29/69/94/777296994.db2.gz TUHCWRFCSWRSLY-SQFISAMPSA-N 1 0 309.498 2.369 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC(O)C3)CN(C(=O)OC(C)(C)C)C1 ZINC000724916892 777519900 /nfs/dbraw/zinc/51/99/00/777519900.db2.gz DUYMMEQSFHEXCZ-YAOSRSEKSA-N 1 0 310.438 2.135 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1c(C)csc1C ZINC000725079371 777579038 /nfs/dbraw/zinc/57/90/38/777579038.db2.gz AHNFQSPHGMUDFQ-GFCCVEGCSA-N 1 0 302.465 2.128 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)NC1(C[NH3+])CCCCC1 ZINC000725088384 777582792 /nfs/dbraw/zinc/58/27/92/777582792.db2.gz FVDSMVTVLBBBMD-UHFFFAOYSA-N 1 0 302.465 2.305 10 0 DEAERO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCS2(=O)=O)CCO1 ZINC000721592261 777601034 /nfs/dbraw/zinc/60/10/34/777601034.db2.gz GFXUXTNDIXDUQF-MCIONIFRSA-N 1 0 303.468 2.137 10 0 DEAERO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC(=O)NCc2ccccc2)CCO1 ZINC000721595035 777601423 /nfs/dbraw/zinc/60/14/23/777601423.db2.gz RYWXCMMDHWERQK-JKSUJKDBSA-N 1 0 304.434 2.486 10 0 DEAERO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c(Cl)c1 ZINC000394012241 777913751 /nfs/dbraw/zinc/91/37/51/777913751.db2.gz AEKSCFNWKZAOOE-MNOVXSKESA-N 1 0 302.827 2.054 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)COCc1ccccc1 ZINC000722336431 778630474 /nfs/dbraw/zinc/63/04/74/778630474.db2.gz SGPHJXZXLIIILO-SQNIBIBYSA-N 1 0 305.418 2.111 10 0 DEAERO Cc1noc([C@H]2C[N@@H+](C[C@H]3CCc4ccccc43)CCN2C)n1 ZINC000606442342 779353141 /nfs/dbraw/zinc/35/31/41/779353141.db2.gz FSBTUSQUQVSORH-NVXWUHKLSA-N 1 0 312.417 2.397 10 0 DEAERO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000721258572 781017043 /nfs/dbraw/zinc/01/70/43/781017043.db2.gz IDZPMQYSCJXICF-SMDDNHRTSA-N 1 0 317.838 2.194 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000721893059 781582655 /nfs/dbraw/zinc/58/26/55/781582655.db2.gz WLLWKOPYYMLJON-SNVBAGLBSA-N 1 0 323.245 2.270 10 0 DEAERO COc1cc(Br)ccc1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000712321980 784815787 /nfs/dbraw/zinc/81/57/87/784815787.db2.gz ZHXUQAOPIHSPTD-SNVBAGLBSA-N 1 0 311.179 2.444 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCc1ccc(Br)cc1 ZINC000722551616 787331115 /nfs/dbraw/zinc/33/11/15/787331115.db2.gz VJIGKXZFMXOWDP-ZYHUDNBSSA-N 1 0 311.223 2.311 10 0 DEAERO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)sc(C)c1C ZINC000722564137 787332833 /nfs/dbraw/zinc/33/28/33/787332833.db2.gz CLWVIWHTFWRODS-GFCCVEGCSA-N 1 0 302.465 2.046 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NCCC[NH2+]C(C)C)c1C ZINC000722570236 787332953 /nfs/dbraw/zinc/33/29/53/787332953.db2.gz HMQRJPVFQHETEC-UHFFFAOYSA-N 1 0 304.481 2.340 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c1C ZINC000722600223 787334618 /nfs/dbraw/zinc/33/46/18/787334618.db2.gz KWNFQKNNFAJWBP-CYBMUJFWSA-N 1 0 316.492 2.423 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]CC[C@@H]2CC(=O)N(C)C2)CCN1Cc1ccccc1 ZINC000723582003 787344454 /nfs/dbraw/zinc/34/44/54/787344454.db2.gz MSQXLKAQAMDWOH-NXHRZFHOSA-N 1 0 315.461 2.107 10 0 DEAERO Brc1c[nH]nc1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723643313 787344898 /nfs/dbraw/zinc/34/48/98/787344898.db2.gz GHMCNHNBDGRNFJ-GARJFASQSA-N 1 0 314.227 2.467 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000724026742 787347105 /nfs/dbraw/zinc/34/71/05/787347105.db2.gz HKNFRAMNQRRIDH-GJZGRUSLSA-N 1 0 322.453 2.475 10 0 DEAERO C[C@@](O)(C[NH2+]CCc1ccns1)C(F)(F)C(F)(F)F ZINC000724068355 787348681 /nfs/dbraw/zinc/34/86/81/787348681.db2.gz LWOHUGWVBWEMAO-MRVPVSSYSA-N 1 0 304.284 2.224 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397821946 790223864 /nfs/dbraw/zinc/22/38/64/790223864.db2.gz KESCXFXWATZECL-SDDRHHMPSA-N 1 0 316.442 2.275 10 0 DEAERO Cn1cc(CNCC[N@H+](C)C2CCCC2)c(Br)n1 ZINC000712460546 792189272 /nfs/dbraw/zinc/18/92/72/792189272.db2.gz CSWJGQLIRRYOJA-UHFFFAOYSA-N 1 0 315.259 2.147 10 0 DEAERO Cn1cc(C[NH2+]C[C@H](O)CC(C)(C)C)c(Br)n1 ZINC000712497548 792190184 /nfs/dbraw/zinc/19/01/84/792190184.db2.gz WSDKLXCURCMHHM-SNVBAGLBSA-N 1 0 304.232 2.069 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1Cc1ncc(Br)s1 ZINC000713690181 792243446 /nfs/dbraw/zinc/24/34/46/792243446.db2.gz KOIUZVURQXDFPZ-VIFPVBQESA-N 1 0 304.257 2.480 10 0 DEAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713889477 792246502 /nfs/dbraw/zinc/24/65/02/792246502.db2.gz UTWVVLYNWWSDCN-XYPHTWIQSA-N 1 0 302.418 2.178 10 0 DEAERO Cn1cc(CN2CC[N@H+](C)C(C)(C)CC2)c(Br)n1 ZINC000713816387 792260391 /nfs/dbraw/zinc/26/03/91/792260391.db2.gz IFMUBVACSWGUIY-UHFFFAOYSA-N 1 0 315.259 2.099 10 0 DEAERO CCCn1cc(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000714515997 792325162 /nfs/dbraw/zinc/32/51/62/792325162.db2.gz SVHJMWMCFFYNRG-ZDUSSCGKSA-N 1 0 323.441 2.035 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc[nH]c1=O ZINC000715012244 792377247 /nfs/dbraw/zinc/37/72/47/792377247.db2.gz BCSWLIPKEXTIDZ-CYBMUJFWSA-N 1 0 307.394 2.276 10 0 DEAERO [NH3+]C1CC(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000715110673 792383528 /nfs/dbraw/zinc/38/35/28/792383528.db2.gz ULKIKDJKJYOYBV-UHFFFAOYSA-N 1 0 309.218 2.009 10 0 DEAERO CC[C@@H]1[C@@H]([NH2+][C@H](C)c2cn(C)nn2)CCN1C(=O)OC(C)(C)C ZINC000715847591 792526105 /nfs/dbraw/zinc/52/61/05/792526105.db2.gz ZXAXSJAZLJDKMN-MBNYWOFBSA-N 1 0 323.441 2.254 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1cn(C)nn1 ZINC000715858050 792527545 /nfs/dbraw/zinc/52/75/45/792527545.db2.gz VQGZSZCLYBTAGN-YNEHKIRRSA-N 1 0 323.441 2.159 10 0 DEAERO O=C(NCc1ccsc1Br)C12CC[NH+](CC1)C2 ZINC000715858705 792527695 /nfs/dbraw/zinc/52/76/95/792527695.db2.gz VGNOHDHHJQXZDR-UHFFFAOYSA-N 1 0 315.236 2.223 10 0 DEAERO C[C@H](NC(=O)c1ccc(Br)o1)C1CC[NH2+]CC1 ZINC000716570110 792974841 /nfs/dbraw/zinc/97/48/41/792974841.db2.gz DBMGAUSLGYLSDX-QMMMGPOBSA-N 1 0 301.184 2.160 10 0 DEAERO CCNC(=O)[C@@H](C)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716729473 793002910 /nfs/dbraw/zinc/00/29/10/793002910.db2.gz CIAYLWNORGRUIJ-SPUZQDLCSA-N 1 0 315.461 2.154 10 0 DEAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cc(Br)cs1 ZINC000716774488 793007686 /nfs/dbraw/zinc/00/76/86/793007686.db2.gz DVQPCUGKYXFJFL-PTNSZRNDSA-N 1 0 303.225 2.425 10 0 DEAERO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)C1 ZINC000246103293 798114030 /nfs/dbraw/zinc/11/40/30/798114030.db2.gz HQMCHPNGMRWFDJ-MRAWALMUSA-N 1 0 315.417 2.410 10 0 DEAERO O=C(OCc1ccccc1)N1CC[C@H]([NH2+][C@H](CO)C2CCC2)C1 ZINC000717593432 799425549 /nfs/dbraw/zinc/42/55/49/799425549.db2.gz LPKMASHPHGVSGF-DLBZAZTESA-N 1 0 318.417 2.148 10 0 DEAERO C[C@H]([NH2+][C@@H](CO)C1CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000717591941 799425831 /nfs/dbraw/zinc/42/58/31/799425831.db2.gz GHJXGFQFZZQPOX-CFVMTHIKSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CC2(CO)CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000717648439 799427580 /nfs/dbraw/zinc/42/75/80/799427580.db2.gz GYYMAAAWYYIVFI-KBPBESRZSA-N 1 0 312.454 2.384 10 0 DEAERO CN1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401906496 801858093 /nfs/dbraw/zinc/85/80/93/801858093.db2.gz HQNFFRSMTACZPI-SJORKVTESA-N 1 0 317.433 2.081 10 0 DEAERO CN1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401944113 801859534 /nfs/dbraw/zinc/85/95/34/801859534.db2.gz QEEJGTUYLJXWID-SJORKVTESA-N 1 0 317.433 2.081 10 0 DEAERO FCCC[NH+]1CCN(c2cccc(Br)n2)CC1 ZINC000402701325 801902301 /nfs/dbraw/zinc/90/23/01/801902301.db2.gz GJZDMVXXBVDEGE-UHFFFAOYSA-N 1 0 302.191 2.326 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cncnc2)C12CCC2 ZINC000404634140 802026325 /nfs/dbraw/zinc/02/63/25/802026325.db2.gz HKHSFWOURHNZKR-ZIAGYGMSSA-N 1 0 318.421 2.402 10 0 DEAERO C[C@@H]1OC[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)[C@@H]1C ZINC000405719954 802078599 /nfs/dbraw/zinc/07/85/99/802078599.db2.gz UDCCHAUTUPBXRD-OAACRXHESA-N 1 0 314.223 2.496 10 0 DEAERO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)nc1 ZINC000309928582 802213790 /nfs/dbraw/zinc/21/37/90/802213790.db2.gz WSGBIVJUQPXPNM-WCBMZHEXSA-N 1 0 305.241 2.046 10 0 DEAERO Cc1c2ccccc2sc1[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC000037241628 1078199972 /nfs/dbraw/zinc/19/99/72/1078199972.db2.gz WBMAONXOJXVPEV-LLVKDONJSA-N 1 0 312.460 2.410 10 0 DEAERO CCN(C(C)=O)c1nc(CNC[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000044561265 1078341559 /nfs/dbraw/zinc/34/15/59/1078341559.db2.gz QFKQLIZOGOOZAB-AWEZNQCLSA-N 1 0 310.467 2.090 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000725077034 1078799868 /nfs/dbraw/zinc/79/98/68/1078799868.db2.gz HNZPTHJOVDTQSD-JSGCOSHPSA-N 1 0 314.476 2.114 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000725075191 1078801525 /nfs/dbraw/zinc/80/15/25/1078801525.db2.gz 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C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cc1ccccc1Br)C2 ZINC000703602391 1086527544 /nfs/dbraw/zinc/52/75/44/1086527544.db2.gz WJFGEXUFGYYDOV-SWLSCSKDSA-N 1 0 323.234 2.060 10 0 DEAERO COC[C@@H](C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000704391559 1086579335 /nfs/dbraw/zinc/57/93/35/1086579335.db2.gz KKOFNMRJDXXQAW-OIISXLGYSA-N 1 0 318.417 2.222 10 0 DEAERO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000704791793 1086591091 /nfs/dbraw/zinc/59/10/91/1086591091.db2.gz XKKAFJCEDDZVOE-NWDGAFQWSA-N 1 0 314.476 2.128 10 0 DEAERO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000704791792 1086591410 /nfs/dbraw/zinc/59/14/10/1086591410.db2.gz XKKAFJCEDDZVOE-NEPJUHHUSA-N 1 0 314.476 2.128 10 0 DEAERO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000705405603 1086615635 /nfs/dbraw/zinc/61/56/35/1086615635.db2.gz MRKKICPSJLYLFC-ZANVPECISA-N 1 0 318.248 2.402 10 0 DEAERO C[C@@H]1CSC[C@@H]1[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000705907989 1086627567 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CC1(C)C[NH2+]C[C@H]1C(=O)NCc1cc(Br)cs1 ZINC000711252835 1087036718 /nfs/dbraw/zinc/03/67/18/1087036718.db2.gz SZAMFXRGBXJQIT-JTQLQIEISA-N 1 0 317.252 2.372 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H](CO)C2CCCC2)C1 ZINC000711399501 1087085586 /nfs/dbraw/zinc/08/55/86/1087085586.db2.gz GAZMKPISWGQWEV-VHDGCEQUSA-N 1 0 312.454 2.430 10 0 DEAERO O[C@@H](C[NH2+]C[C@@H]1CCC2(CCC2)O1)COCc1ccccc1 ZINC000711511713 1087146698 /nfs/dbraw/zinc/14/66/98/1087146698.db2.gz AEWGWXLOHOPFOX-IRXDYDNUSA-N 1 0 305.418 2.255 10 0 DEAERO O=S(=O)(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cccc(Cl)c1F ZINC000711639411 1087175830 /nfs/dbraw/zinc/17/58/30/1087175830.db2.gz LHBRCCJAHSWESE-DGCLKSJQSA-N 1 0 318.801 2.042 10 0 DEAERO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1ccccc1Br ZINC000711655873 1087189153 /nfs/dbraw/zinc/18/91/53/1087189153.db2.gz UAVNKSPCABETSV-TZMCWYRMSA-N 1 0 309.207 2.464 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2nccn2C2CC2)C1 ZINC000711822293 1087203743 /nfs/dbraw/zinc/20/37/43/1087203743.db2.gz VYGSQKKYOCPOLA-UHFFFAOYSA-N 1 0 306.410 2.175 10 0 DEAERO [NH3+]Cc1nc(Cc2nc([C@H]3CCC(F)(F)C3)no2)cs1 ZINC000719008131 1088759281 /nfs/dbraw/zinc/75/92/81/1088759281.db2.gz YMYBIILYBXHCLD-ZETCQYMHSA-N 1 0 300.334 2.478 10 0 DEAERO Cc1nc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)sc1Br ZINC000719253449 1088915524 /nfs/dbraw/zinc/91/55/24/1088915524.db2.gz OZVZZQDQTKKHNL-VXNVDRBHSA-N 1 0 304.257 2.383 10 0 DEAERO Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2CO)sc1Br ZINC000719275834 1088919969 /nfs/dbraw/zinc/91/99/69/1088919969.db2.gz XBJFPHIOUNATAG-RKDXNWHRSA-N 1 0 305.241 2.465 10 0 DEAERO CO[C@]1(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)CCSC1 ZINC000719312494 1088933334 /nfs/dbraw/zinc/93/33/34/1088933334.db2.gz ALVQHVDXFPSFEE-KBPBESRZSA-N 1 0 301.839 2.485 10 0 DEAERO CO[C@]1(C[NH2+]Cc2cncc(Br)c2)CCSC1 ZINC000719317368 1088935414 /nfs/dbraw/zinc/93/54/14/1088935414.db2.gz YGJBVKYQHZJHBS-LBPRGKRZSA-N 1 0 317.252 2.456 10 0 DEAERO Cc1nc(C[NH2+]C[C@H](O)C2CCC2)sc1Br ZINC000719303278 1088940960 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CN1CCCC[C@H]1C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724038289 1143897387 /nfs/dbraw/zinc/89/73/87/1143897387.db2.gz YAIUWRUINPNCIL-UWVGGRQHSA-N 1 0 304.303 2.009 10 0 DEAERO CCOc1ccc([C@@H](C)[NH3+])cc1CSCCS(C)(=O)=O ZINC000081768942 192323362 /nfs/dbraw/zinc/32/33/62/192323362.db2.gz OBWAPAQKGVITIW-LLVKDONJSA-N 1 0 317.476 2.383 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1Sc1nnnn1C1CCCC1 ZINC000081866682 192333333 /nfs/dbraw/zinc/33/33/33/192333333.db2.gz UVUWQRQQSOHFLK-OLZOCXBDSA-N 1 0 311.455 2.037 10 0 DEAERO CCC[NH2+][C@@H](CSc1n[nH]c(=O)n1C)c1ccc(C)cc1 ZINC000081880490 192333774 /nfs/dbraw/zinc/33/37/74/192333774.db2.gz IOGGYIDUUSBNQG-ZDUSSCGKSA-N 1 0 306.435 2.250 10 0 DEAERO [NH3+][C@H]1c2ccccc2CC[C@@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000081880214 192333860 /nfs/dbraw/zinc/33/38/60/192333860.db2.gz DFKJUTLLEOQCTN-STQMWFEESA-N 1 0 302.403 2.013 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1Sc1cnn(C)c1)OCCO2 ZINC000081893363 192334682 /nfs/dbraw/zinc/33/46/82/192334682.db2.gz WWGCZYBSZCEYGW-UONOGXRCSA-N 1 0 311.451 2.176 10 0 DEAERO COc1ccc(S(=O)(=O)[C@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC000081923120 192339711 /nfs/dbraw/zinc/33/97/11/192339711.db2.gz JAQUTYXOSRKDRU-HOTGVXAUSA-N 1 0 303.383 2.094 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)c1cccc(OC)c1)c1ccccc1 ZINC000081923576 192340410 /nfs/dbraw/zinc/34/04/10/192340410.db2.gz REPYETCXHRWHHB-INIZCTEOSA-N 1 0 305.399 2.430 10 0 DEAERO Cc1nc2ncnn2c(N2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000301337206 282130741 /nfs/dbraw/zinc/13/07/41/282130741.db2.gz DHVMPPPWDOYSHR-UHFFFAOYSA-N 1 0 314.437 2.053 10 0 DEAERO C[NH+]1CCN(c2cccc(C(=O)N3CCc4ccccc43)n2)CC1 ZINC000096780364 185387378 /nfs/dbraw/zinc/38/73/78/185387378.db2.gz RGOOAIMHGOFXAA-UHFFFAOYSA-N 1 0 322.412 2.036 10 0 DEAERO CC[C@@H]1CN(C(=O)NCCC2=CCCC2)CC[N@@H+]1CCOC ZINC000152140196 282135541 /nfs/dbraw/zinc/13/55/41/282135541.db2.gz NKMUKRJXMMWGIM-MRXNPFEDSA-N 1 0 309.454 2.239 10 0 DEAERO CC[NH2+][C@H](CC)[C@H](C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935458 192342932 /nfs/dbraw/zinc/34/29/32/192342932.db2.gz JXJKRZJZAPGQPN-WCQYABFASA-N 1 0 313.419 2.008 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000081935678 192343064 /nfs/dbraw/zinc/34/30/64/192343064.db2.gz UAMKHCUZNBUHNW-LBPRGKRZSA-N 1 0 307.337 2.477 10 0 DEAERO FC(F)(F)c1ccc(N2CCC(C[NH2+]C3CC3)CC2)nn1 ZINC000164681502 197660891 /nfs/dbraw/zinc/66/08/91/197660891.db2.gz DUNIWLZTXYWZTN-UHFFFAOYSA-N 1 0 300.328 2.464 10 0 DEAERO CC[NH2+][C@H](C)[C@@H](C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936146 192343396 /nfs/dbraw/zinc/34/33/96/192343396.db2.gz YYHVNYYOKMGJPU-VXGBXAGGSA-N 1 0 313.419 2.008 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2CCC[C@@H]1S(=O)(=O)CCOC ZINC000081944013 192343674 /nfs/dbraw/zinc/34/36/74/192343674.db2.gz FGZSHDCRALHLBK-HOTGVXAUSA-N 1 0 311.447 2.103 10 0 DEAERO COC(=O)CN(C(=O)CC[C@H](CC[NH3+])C(C)(C)C)C(C)C ZINC000079291142 185163660 /nfs/dbraw/zinc/16/36/60/185163660.db2.gz YKHVSXWIXFHYKK-CYBMUJFWSA-N 1 0 300.443 2.188 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)CCC2CC[NH2+]CC2)CC1 ZINC000079348560 185165933 /nfs/dbraw/zinc/16/59/33/185165933.db2.gz DFTYJUGQLGEZNK-AWEZNQCLSA-N 1 0 302.484 2.218 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1ccccn1)C1CC1 ZINC000079254306 185162617 /nfs/dbraw/zinc/16/26/17/185162617.db2.gz FSCFDNXGIINVHE-CQSZACIVSA-N 1 0 304.438 2.486 10 0 DEAERO COC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000079276249 185163009 /nfs/dbraw/zinc/16/30/09/185163009.db2.gz BTMPVJQRHUHKDY-KBPBESRZSA-N 1 0 300.443 2.092 10 0 DEAERO COc1cccc([C@H](C)[NH+]2CCN(c3cnn(C)c3)CC2)c1 ZINC000079473924 185172932 /nfs/dbraw/zinc/17/29/32/185172932.db2.gz UHYJJDKAPBWOBE-AWEZNQCLSA-N 1 0 300.406 2.312 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])s2)CC1 ZINC000079358087 185166795 /nfs/dbraw/zinc/16/67/95/185166795.db2.gz KDHLEYNRBISMBW-LLVKDONJSA-N 1 0 302.465 2.408 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000152911917 282157245 /nfs/dbraw/zinc/15/72/45/282157245.db2.gz JRIGINWMMVBJQW-GDBMZVCRSA-N 1 0 322.449 2.039 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@@]1(C)CCC[NH2+]1)CCC2 ZINC000079520223 185173907 /nfs/dbraw/zinc/17/39/07/185173907.db2.gz GWTGLVHGBDRGMW-OAHLLOKOSA-N 1 0 308.403 2.104 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000082311639 185175206 /nfs/dbraw/zinc/17/52/06/185175206.db2.gz DYXWBNDRIGTFNE-QGZVFWFLSA-N 1 0 319.424 2.349 10 0 DEAERO C[C@H](C[C@H](C)[NH3+])S(=O)(=O)c1cccc(Br)c1 ZINC000082798599 185205100 /nfs/dbraw/zinc/20/51/00/185205100.db2.gz QZESRPRTWYBLJR-DTWKUNHWSA-N 1 0 306.225 2.349 10 0 DEAERO C[C@@H]1C[NH2+]CCN1c1cccc(I)c1 ZINC000083086703 185213015 /nfs/dbraw/zinc/21/30/15/185213015.db2.gz WYUWVAIXTDPNRQ-SECBINFHSA-N 1 0 302.159 2.089 10 0 DEAERO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2nc(C)ccc2O)cn1 ZINC000328653171 231290837 /nfs/dbraw/zinc/29/08/37/231290837.db2.gz WUDWZPIJRWAYGS-WMLDXEAASA-N 1 0 316.405 2.322 10 0 DEAERO CC(C)c1ccc([C@H](C[NH3+])[C@@H](O)C(C)(C)S(C)(=O)=O)cc1 ZINC000087381969 185223136 /nfs/dbraw/zinc/22/31/36/185223136.db2.gz SLGCRNQOUJOGAH-LSDHHAIUSA-N 1 0 313.463 2.036 10 0 DEAERO CCC[C@H](C[NH3+])NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000087403944 185223794 /nfs/dbraw/zinc/22/37/94/185223794.db2.gz RRVAFEMRCRCBBS-MMQHEFTJSA-N 1 0 302.827 2.358 10 0 DEAERO CC(C)[C@H](C[NH3+])NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000087404838 185224162 /nfs/dbraw/zinc/22/41/62/185224162.db2.gz YXMRXYTWTNXHHU-VIFPVBQESA-N 1 0 311.234 2.255 10 0 DEAERO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(c2cc[nH+]cc2N)C1 ZINC000087493463 185226719 /nfs/dbraw/zinc/22/67/19/185226719.db2.gz OYVHBKYSQSWGEV-RYUDHWBXSA-N 1 0 306.410 2.403 10 0 DEAERO C[C@H](c1noc(-c2cccc(F)c2Cl)n1)N1CC[NH2+]CC1 ZINC000165484350 197677007 /nfs/dbraw/zinc/67/70/07/197677007.db2.gz ZPKGSJCUYNCBSJ-SECBINFHSA-N 1 0 310.760 2.495 10 0 DEAERO CC[C@H](C[NH3+])C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000087519137 185227517 /nfs/dbraw/zinc/22/75/17/185227517.db2.gz HHNMISOSUPIEGY-ZYHUDNBSSA-N 1 0 313.239 2.481 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1sccc1Br ZINC000087575692 185228644 /nfs/dbraw/zinc/22/86/44/185228644.db2.gz RAXZANFFCDHQEJ-VXNVDRBHSA-N 1 0 303.225 2.254 10 0 DEAERO CC1(C)CCCN(S(=O)(=O)Cc2ccccc2C[NH3+])CC1 ZINC000087657296 185229700 /nfs/dbraw/zinc/22/97/00/185229700.db2.gz WBWDVYLSKWWTQB-UHFFFAOYSA-N 1 0 310.463 2.487 10 0 DEAERO C[C@@H](CC[NH3+])C(=O)Nc1cccc(I)c1 ZINC000087635101 185229855 /nfs/dbraw/zinc/22/98/55/185229855.db2.gz LOGNQICSXIYNQV-QMMMGPOBSA-N 1 0 318.158 2.215 10 0 DEAERO COc1ccc(Cl)cc1CSc1nnc(C)n1CC[NH3+] ZINC000087715154 185230850 /nfs/dbraw/zinc/23/08/50/185230850.db2.gz IJKPPRBBLKFZSS-UHFFFAOYSA-N 1 0 312.826 2.500 10 0 DEAERO [NH3+][C@H](Cc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000087760343 185231524 /nfs/dbraw/zinc/23/15/24/185231524.db2.gz FHGSXNGRLDOPLM-QPUJVOFHSA-N 1 0 308.230 2.298 10 0 DEAERO C[C@@H]1[C@@H](C)CC[C@@H]1Nc1nc(NN)[nH+]cc1Br ZINC000087882938 185234510 /nfs/dbraw/zinc/23/45/10/185234510.db2.gz CHAVLBFMKXQOBH-OOZYFLPDSA-N 1 0 300.204 2.371 10 0 DEAERO C[C@@H]1CC[C@H](C)N(c2nc(NN)[nH+]cc2Br)C1 ZINC000087889635 185234775 /nfs/dbraw/zinc/23/47/75/185234775.db2.gz MGXONMAFPXNSOV-SFYZADRCSA-N 1 0 300.204 2.150 10 0 DEAERO C[C@@H](C[NH3+])C[S@@](=O)Cc1ccc(Br)cc1F ZINC000088089822 185239597 /nfs/dbraw/zinc/23/95/97/185239597.db2.gz UXMUKGUREDYOGO-PWJLMRLQSA-N 1 0 308.216 2.432 10 0 DEAERO COc1ccc(C[C@@](C)(C[NH3+])NCC(F)(F)F)cc1OC ZINC000087929630 185237622 /nfs/dbraw/zinc/23/76/22/185237622.db2.gz ZCBRXYIPBMMCTB-ZDUSSCGKSA-N 1 0 306.328 2.116 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)[C@H]1CCOc2ccccc21 ZINC000088019821 185237966 /nfs/dbraw/zinc/23/79/66/185237966.db2.gz LTUHVFWMQDURSQ-DZGCQCFKSA-N 1 0 311.447 2.356 10 0 DEAERO C[C@@H](C[NH3+])CC(=O)N(C)Cc1cc(Br)cs1 ZINC000087984342 185237974 /nfs/dbraw/zinc/23/79/74/185237974.db2.gz IKGMWZNHHLMIFJ-MRVPVSSYSA-N 1 0 305.241 2.454 10 0 DEAERO CC(C)([NH3+])CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000088072280 185238931 /nfs/dbraw/zinc/23/89/31/185238931.db2.gz NAVGNYKMNDJIQO-UHFFFAOYSA-N 1 0 306.225 2.101 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)C1(OC)CCOCC1 ZINC000165529492 197677767 /nfs/dbraw/zinc/67/77/67/197677767.db2.gz OAFLTUAJJOISRK-ZDUSSCGKSA-N 1 0 315.845 2.098 10 0 DEAERO COc1ccc(Br)c(C[C@H]([NH3+])[C@@H]2CCOC2)c1 ZINC000087804338 185232517 /nfs/dbraw/zinc/23/25/17/185232517.db2.gz YUJRHSWSWZNZMV-RNCFNFMXSA-N 1 0 300.196 2.364 10 0 DEAERO CN(Cc1cc(Br)cs1)c1cc(NN)[nH+]cn1 ZINC000087866260 185233852 /nfs/dbraw/zinc/23/38/52/185233852.db2.gz MRHBDEVRBCLXMG-UHFFFAOYSA-N 1 0 314.212 2.223 10 0 DEAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328919431 231387592 /nfs/dbraw/zinc/38/75/92/231387592.db2.gz SLTWYJZKKOXZHY-GMIGKAJZSA-N 1 0 307.438 2.263 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C2CC2)C1 ZINC000154169299 282197576 /nfs/dbraw/zinc/19/75/76/282197576.db2.gz FXTLHNAPFXKPBN-SJORKVTESA-N 1 0 301.434 2.353 10 0 DEAERO CC[C@@H](C)Oc1cccc(NS(=O)(=O)[C@@H](CC)C[NH3+])c1 ZINC000088473795 185252159 /nfs/dbraw/zinc/25/21/59/185252159.db2.gz NMJPYDVJVFBFSN-RISCZKNCSA-N 1 0 300.424 2.343 10 0 DEAERO CCC[NH2+][C@](CO)(CN1CCC(C(F)(F)F)CC1)C1CC1 ZINC000088439750 185250617 /nfs/dbraw/zinc/25/06/17/185250617.db2.gz WCIZMAYWZJZGBU-AWEZNQCLSA-N 1 0 308.388 2.401 10 0 DEAERO CC[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1S(=O)(=O)C(C)C ZINC000081981733 192348952 /nfs/dbraw/zinc/34/89/52/192348952.db2.gz XCCVRXGRRIPGSV-HZPDHXFCSA-N 1 0 311.447 2.484 10 0 DEAERO CC[NH2+][C@@H](Cc1ncnn1C)c1cccc(Br)c1 ZINC000088581765 185258474 /nfs/dbraw/zinc/25/84/74/185258474.db2.gz XOSWXYJMXQWHBL-LBPRGKRZSA-N 1 0 309.211 2.471 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1sc2ncccc2c1N ZINC000088642407 185261137 /nfs/dbraw/zinc/26/11/37/185261137.db2.gz VVWRHJLYIPTKSQ-JTQLQIEISA-N 1 0 304.419 2.093 10 0 DEAERO Cc1ccc2c(N)c(C(=O)NCC[N@@H+](C)C3CC3)sc2n1 ZINC000088643308 185261182 /nfs/dbraw/zinc/26/11/82/185261182.db2.gz DYFOUUNXBJOWRX-UHFFFAOYSA-N 1 0 304.419 2.011 10 0 DEAERO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2C(N)=S)C1 ZINC000088704634 185262596 /nfs/dbraw/zinc/26/25/96/185262596.db2.gz DTPVKSZSFZUKDM-RYUDHWBXSA-N 1 0 305.447 2.380 10 0 DEAERO C[NH2+]CCCc1nnc(Cc2ccc(OC)c(OC)c2)s1 ZINC000088811762 185266345 /nfs/dbraw/zinc/26/63/45/185266345.db2.gz ITZBOOPEEWPRCX-UHFFFAOYSA-N 1 0 307.419 2.298 10 0 DEAERO COc1ccc(-c2nnc(CCC[NH3+])s2)c(OC)c1OC ZINC000088809160 185266401 /nfs/dbraw/zinc/26/64/01/185266401.db2.gz DEMDYBFTWXUTQR-UHFFFAOYSA-N 1 0 309.391 2.122 10 0 DEAERO COc1ccc(-c2nnc(CC[NH3+])s2)cc1Br ZINC000088811247 185266444 /nfs/dbraw/zinc/26/64/44/185266444.db2.gz BDIFUOJNNNKIBC-UHFFFAOYSA-N 1 0 314.208 2.477 10 0 DEAERO COCC[NH2+]CCCc1nnc(-c2ccc(C)nc2C)s1 ZINC000088813314 185266467 /nfs/dbraw/zinc/26/64/67/185266467.db2.gz FEALVXLSEMGGDD-UHFFFAOYSA-N 1 0 306.435 2.386 10 0 DEAERO COCCCS(=O)(=O)[C@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000081986032 192349451 /nfs/dbraw/zinc/34/94/51/192349451.db2.gz DLTQWHAUQSTCQN-PMPSAXMXSA-N 1 0 311.447 2.101 10 0 DEAERO Cc1ccccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1n1ccnc1 ZINC000088717668 185263142 /nfs/dbraw/zinc/26/31/42/185263142.db2.gz TVPMQRBBFRPBHN-KGLIPLIRSA-N 1 0 305.403 2.264 10 0 DEAERO CCCc1ccc([C@H](CS(=O)(=O)CCCOC)[NH2+]C)cc1 ZINC000081985467 192349630 /nfs/dbraw/zinc/34/96/30/192349630.db2.gz DCSHCDJVBIEYFM-INIZCTEOSA-N 1 0 313.463 2.351 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)C(C)C)c1ccc2c(c1)OCO2 ZINC000081981398 192350052 /nfs/dbraw/zinc/35/00/52/192350052.db2.gz UDFFDODGVKTJMH-CYBMUJFWSA-N 1 0 313.419 2.279 10 0 DEAERO COc1ccc2c(c1)CC[C@H](S(=O)(=O)C1CCCC1)[C@H]2[NH3+] ZINC000081988639 192350973 /nfs/dbraw/zinc/35/09/73/192350973.db2.gz VHHOAPGJIFAKND-HOTGVXAUSA-N 1 0 309.431 2.367 10 0 DEAERO COc1cccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1F ZINC000090110384 185282597 /nfs/dbraw/zinc/28/25/97/185282597.db2.gz GDFWESHWSXXKNM-STQMWFEESA-N 1 0 324.396 2.063 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cnc2ccsc2c1 ZINC000090025375 185278517 /nfs/dbraw/zinc/27/85/17/185278517.db2.gz HOKFBLIZPBOLCD-BXKDBHETSA-N 1 0 303.387 2.094 10 0 DEAERO CC[C@@H]1c2ccsc2CCN1C(=O)C1(C[NH3+])CCOCC1 ZINC000166022225 197686831 /nfs/dbraw/zinc/68/68/31/197686831.db2.gz AXZQDVUKTBPRHZ-CYBMUJFWSA-N 1 0 308.447 2.339 10 0 DEAERO [NH3+]C[C@@H](c1cc(Cl)ccc1Br)N1CCOCC1 ZINC000090251418 185288302 /nfs/dbraw/zinc/28/83/02/185288302.db2.gz LIQJLRALHGJIEE-LBPRGKRZSA-N 1 0 319.630 2.435 10 0 DEAERO CC[C@H]([NH2+]C[C@](C)(O)CO)c1cccc(Br)c1 ZINC000090284462 185289397 /nfs/dbraw/zinc/28/93/97/185289397.db2.gz QONJQHUWRPGOTB-STQMWFEESA-N 1 0 302.212 2.233 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000090293189 185289785 /nfs/dbraw/zinc/28/97/85/185289785.db2.gz BAHFBRLTFWYRLK-UHFFFAOYSA-N 1 0 310.463 2.258 10 0 DEAERO Clc1cccc(Cl)c1CN1CCN(C2C[NH2+]C2)CC1 ZINC000090306749 185290319 /nfs/dbraw/zinc/29/03/19/185290319.db2.gz CLNFGLMDBGVELA-UHFFFAOYSA-N 1 0 300.233 2.083 10 0 DEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000090327328 185291337 /nfs/dbraw/zinc/29/13/37/185291337.db2.gz ZQFCDWJNJSJGQF-RAIGVLPGSA-N 1 0 308.809 2.151 10 0 DEAERO C[C@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[S@@](C)=O ZINC000166141927 197688277 /nfs/dbraw/zinc/68/82/77/197688277.db2.gz KZRGZADJHAOSCP-KHXFZUIGSA-N 1 0 318.483 2.179 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1 ZINC000090337856 185291980 /nfs/dbraw/zinc/29/19/80/185291980.db2.gz UWENSBTZPNRWBO-BXUZGUMPSA-N 1 0 307.825 2.208 10 0 DEAERO [NH3+][C@H]1COC[C@H]1c1nc(CSc2ccc(Cl)cc2)no1 ZINC000090365061 185292684 /nfs/dbraw/zinc/29/26/84/185292684.db2.gz CTEPPMZYCDNDTI-MNOVXSKESA-N 1 0 311.794 2.456 10 0 DEAERO CN(Cc1ccccc1Br)[C@@H](C[NH3+])c1cncn1C ZINC000090167508 185284720 /nfs/dbraw/zinc/28/47/20/185284720.db2.gz BYQZYLJCYIZCPG-ZDUSSCGKSA-N 1 0 323.238 2.314 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccccc1Br ZINC000090487819 185298896 /nfs/dbraw/zinc/29/88/96/185298896.db2.gz LIEPEDKUDDQSAL-CABZTGNLSA-N 1 0 313.195 2.012 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000090489304 185298900 /nfs/dbraw/zinc/29/89/00/185298900.db2.gz SNVWUETZPMFFMM-NILFDRSVSA-N 1 0 310.825 2.012 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000090423979 185295634 /nfs/dbraw/zinc/29/56/34/185295634.db2.gz HZJRSJYYHBBCTP-JQWIXIFHSA-N 1 0 311.744 2.155 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccccc1SC(F)F ZINC000090431540 185295936 /nfs/dbraw/zinc/29/59/36/185295936.db2.gz WDXFWDIPHDYRFZ-WCBMZHEXSA-N 1 0 302.346 2.174 10 0 DEAERO [NH3+][C@@H](C[S@@](=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000082003192 192353689 /nfs/dbraw/zinc/35/36/89/192353689.db2.gz PSBLMGVTILAOBQ-ZSEKCTLFSA-N 1 0 307.346 2.362 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(SC(F)F)cc2)COC[C@@H]1[NH3+] ZINC000090585414 185305251 /nfs/dbraw/zinc/30/52/51/185305251.db2.gz IXXBDEMFALRKIZ-GWCFXTLKSA-N 1 0 302.346 2.304 10 0 DEAERO COC(=O)C1CCC(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000179482293 282226742 /nfs/dbraw/zinc/22/67/42/282226742.db2.gz PFTXDJFCNPWFRV-FHERZECASA-N 1 0 324.465 2.202 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(F)cc1Cl ZINC000090539698 185301507 /nfs/dbraw/zinc/30/15/07/185301507.db2.gz DHPCGWRSMUFTPK-GWCFXTLKSA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000090539605 185301541 /nfs/dbraw/zinc/30/15/41/185301541.db2.gz WRMPYEAVMQVUDA-GWCFXTLKSA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cccc(Cl)c1F ZINC000090539633 185301632 /nfs/dbraw/zinc/30/16/32/185301632.db2.gz WJJFLTDXFNXHME-CABZTGNLSA-N 1 0 300.761 2.432 10 0 DEAERO C[C@@H](Oc1ccccc1)C(=O)N1CCCSC[C@@H]1C[NH+](C)C ZINC000090699925 185310645 /nfs/dbraw/zinc/31/06/45/185310645.db2.gz LOAKKQBORCVDHK-CABCVRRESA-N 1 0 322.474 2.350 10 0 DEAERO Cc1cc(C[NH2+]C2CCS(=O)(=O)CC2)c2ccccc2n1 ZINC000092345503 185313406 /nfs/dbraw/zinc/31/34/06/185313406.db2.gz XAIWEQCZAINEIT-UHFFFAOYSA-N 1 0 304.415 2.210 10 0 DEAERO CS(=O)(=O)c1ccc(SCc2cccc(NN)[nH+]2)cc1 ZINC000092372133 185314337 /nfs/dbraw/zinc/31/43/37/185314337.db2.gz DESMYVJBXGBYBP-UHFFFAOYSA-N 1 0 309.416 2.063 10 0 DEAERO CCSCCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000167408127 197707894 /nfs/dbraw/zinc/70/78/94/197707894.db2.gz PRAFYCLLEPGGSZ-NSHDSACASA-N 1 0 302.465 2.128 10 0 DEAERO CC[N@@H+]1CC[C@H](Cn2c(N)nc3cc(Br)cnc32)C1 ZINC000092575364 185326666 /nfs/dbraw/zinc/32/66/66/185326666.db2.gz NGFQBPFYXCYZAL-VIFPVBQESA-N 1 0 324.226 2.118 10 0 DEAERO C[NH+](C)C(C)(C)Cn1c(N)nc2cc(Br)cnc21 ZINC000092575628 185326683 /nfs/dbraw/zinc/32/66/83/185326683.db2.gz RLLXBOMVMXJUIM-UHFFFAOYSA-N 1 0 312.215 2.116 10 0 DEAERO CC[N@@H+]1CCC[C@H]1Cn1c(N)nc2cc(Br)cnc21 ZINC000092575091 185326732 /nfs/dbraw/zinc/32/67/32/185326732.db2.gz IBFAGXHRSHJSJK-JTQLQIEISA-N 1 0 324.226 2.260 10 0 DEAERO CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)COC)c2)CC1 ZINC000184257722 282249737 /nfs/dbraw/zinc/24/97/37/282249737.db2.gz KXNIFKFJEUGZNR-AWEZNQCLSA-N 1 0 305.422 2.050 10 0 DEAERO COc1cc([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)ccc1F ZINC000092825429 185344290 /nfs/dbraw/zinc/34/42/90/185344290.db2.gz TUTZKGVDCUKMKV-CMPLNLGQSA-N 1 0 301.383 2.062 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cc1C[NH3+] ZINC000092833142 185345004 /nfs/dbraw/zinc/34/50/04/185345004.db2.gz GBQPNJHBJWPEAW-UHFFFAOYSA-N 1 0 310.463 2.414 10 0 DEAERO CCC[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)C(C)C ZINC000092859273 185346808 /nfs/dbraw/zinc/34/68/08/185346808.db2.gz WKLOPLVLCSVFEL-HZPDHXFCSA-N 1 0 311.447 2.484 10 0 DEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)CC(C)C ZINC000092859161 185346939 /nfs/dbraw/zinc/34/69/39/185346939.db2.gz XHOLFISYNAUKNT-JKSUJKDBSA-N 1 0 311.447 2.341 10 0 DEAERO COCCC[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000181403973 199291832 /nfs/dbraw/zinc/29/18/32/199291832.db2.gz XTFMNUHEARHJQS-NVXWUHKLSA-N 1 0 306.450 2.338 10 0 DEAERO COc1ncc(C)cc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000092927582 185349603 /nfs/dbraw/zinc/34/96/03/185349603.db2.gz KOAIZUQBCJYWPO-QWHCGFSZSA-N 1 0 304.394 2.099 10 0 DEAERO Brc1ccccc1-n1cncc1[C@@H]1C[NH2+]CCO1 ZINC000097011093 185397008 /nfs/dbraw/zinc/39/70/08/185397008.db2.gz NNKLGEBOKRRIAY-ZDUSSCGKSA-N 1 0 308.179 2.296 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2)C12CCC2 ZINC000181615535 199327811 /nfs/dbraw/zinc/32/78/11/199327811.db2.gz IJOCCUDGWNGOLX-CVEARBPZSA-N 1 0 302.418 2.354 10 0 DEAERO CN1CCC([NH2+]CCN2CCc3c(Cl)cccc3C2)CC1 ZINC000187998502 282295123 /nfs/dbraw/zinc/29/51/23/282295123.db2.gz RZLIAUOIOAPJRF-UHFFFAOYSA-N 1 0 307.869 2.382 10 0 DEAERO COc1cccc(NC(=O)C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1 ZINC000188003663 282295608 /nfs/dbraw/zinc/29/56/08/282295608.db2.gz GFIDVYFXPAEOOR-CXAGYDPISA-N 1 0 306.406 2.117 10 0 DEAERO CN(C)c1ccccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000075969143 282300393 /nfs/dbraw/zinc/30/03/93/282300393.db2.gz WWWGCBVYCJSTJR-SFHVURJKSA-N 1 0 317.477 2.439 10 0 DEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccncc3Br)C[C@H]2C1 ZINC000625473027 365800956 /nfs/dbraw/zinc/80/09/56/365800956.db2.gz UFOJIJZDJWOEKA-RAIGVLPGSA-N 1 0 311.223 2.437 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3CCCCNC3=O)CC[C@H]21 ZINC000328877158 530058318 /nfs/dbraw/zinc/05/83/18/530058318.db2.gz TUCZJKHVPNBZMN-RRFJBIMHSA-N 1 0 307.438 2.076 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000089451655 539411276 /nfs/dbraw/zinc/41/12/76/539411276.db2.gz UYTSZVLEXLAMGJ-ZJUUUORDSA-N 1 0 310.781 2.425 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245500570 282392596 /nfs/dbraw/zinc/39/25/96/282392596.db2.gz AQTJMPXWNJOMJH-JKJDWNRSSA-N 1 0 309.454 2.211 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000333790042 282966812 /nfs/dbraw/zinc/96/68/12/282966812.db2.gz MIKFOBWRHMXMAE-SDJAHQOYSA-N 1 0 307.825 2.493 10 0 DEAERO COc1cccc([C@@H]2C[C@@H]2C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1 ZINC000245951301 282413163 /nfs/dbraw/zinc/41/31/63/282413163.db2.gz VOVLDYASRFTFJT-PYTWLRIVSA-N 1 0 302.418 2.350 10 0 DEAERO COC(=O)CC1(CC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC000615565841 362642172 /nfs/dbraw/zinc/64/21/72/362642172.db2.gz FLDAJPHXWRLRSQ-HNNXBMFYSA-N 1 0 322.449 2.101 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)c2ccncc2)C1 ZINC000129164655 539488882 /nfs/dbraw/zinc/48/88/82/539488882.db2.gz RLCPRXNNXQNXEK-HNNXBMFYSA-N 1 0 304.438 2.143 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)CCc2ccncc2)CC1 ZINC000170689511 197808159 /nfs/dbraw/zinc/80/81/59/197808159.db2.gz BHFDFZADPJLGHD-UHFFFAOYSA-N 1 0 318.465 2.388 10 0 DEAERO C[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)s1 ZINC000111715047 185629675 /nfs/dbraw/zinc/62/96/75/185629675.db2.gz XXFVZFQGFYCHNR-NEPJUHHUSA-N 1 0 302.465 2.208 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC(C[NH2+]C(C)C)CC2)cc1 ZINC000111721546 185631992 /nfs/dbraw/zinc/63/19/92/185631992.db2.gz USQOSEWXODZSFT-UHFFFAOYSA-N 1 0 310.463 2.394 10 0 DEAERO COC(=O)C(C)(C)[C@H]1CCC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000615794712 362704384 /nfs/dbraw/zinc/70/43/84/362704384.db2.gz PCOMMJZSQACRJX-WDEREUQCSA-N 1 0 311.344 2.211 10 0 DEAERO c1[nH]nc2c1C[C@@H](c1nc(-c3ccn4c[nH+]cc4c3)no1)CC2 ZINC000279632664 215021209 /nfs/dbraw/zinc/02/12/09/215021209.db2.gz UVOWERKBXSJTQB-NSHDSACASA-N 1 0 306.329 2.380 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000333811417 282969911 /nfs/dbraw/zinc/96/99/11/282969911.db2.gz PQCJAAJUNNVYPV-UKRRQHHQSA-N 1 0 321.396 2.481 10 0 DEAERO COC[C@@H](C)[NH2+]C[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000119432999 185744073 /nfs/dbraw/zinc/74/40/73/185744073.db2.gz SDZAYELTBTZGHS-ZIAGYGMSSA-N 1 0 308.422 2.155 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000155024358 290806796 /nfs/dbraw/zinc/80/67/96/290806796.db2.gz RWEPTKFCDVDSHU-STQMWFEESA-N 1 0 315.417 2.200 10 0 DEAERO C[NH2+]CCCNC(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000121211371 185765274 /nfs/dbraw/zinc/76/52/74/185765274.db2.gz ZOVHXRXBJUBCPI-UHFFFAOYSA-N 1 0 306.797 2.173 10 0 DEAERO CC(C)([NH3+])c1cn(Cc2cc(Br)cs2)nn1 ZINC000069679777 190805235 /nfs/dbraw/zinc/80/52/35/190805235.db2.gz PLNIHPMYPOMOJX-UHFFFAOYSA-N 1 0 301.213 2.344 10 0 DEAERO C[C@@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000183432278 199594739 /nfs/dbraw/zinc/59/47/39/199594739.db2.gz OWRYTBVTMBSKFG-JKSUJKDBSA-N 1 0 318.461 2.341 10 0 DEAERO CCC(C)(CC)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000158993582 539580047 /nfs/dbraw/zinc/58/00/47/539580047.db2.gz NLAVIRJPDPSIMR-INIZCTEOSA-N 1 0 309.498 2.441 10 0 DEAERO CCN(CCc1nccs1)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000159000715 539580315 /nfs/dbraw/zinc/58/03/15/539580315.db2.gz LARCDFBIHITYKT-ZDUSSCGKSA-N 1 0 310.467 2.201 10 0 DEAERO CC(C)([NH3+])CCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000070087601 190857532 /nfs/dbraw/zinc/85/75/32/190857532.db2.gz PXZMGHMRKDDEMY-CHWSQXEVSA-N 1 0 300.468 2.017 10 0 DEAERO CC(C)([NH3+])CCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000070087602 190858086 /nfs/dbraw/zinc/85/80/86/190858086.db2.gz PXZMGHMRKDDEMY-STQMWFEESA-N 1 0 300.468 2.017 10 0 DEAERO C[NH2+]CC[C@H]1CCCCN1S(=O)(=O)CC1CCCCC1 ZINC000070192368 190869860 /nfs/dbraw/zinc/86/98/60/190869860.db2.gz WUXUXXMGGIEBBW-OAHLLOKOSA-N 1 0 302.484 2.361 10 0 DEAERO CC[NH2+]Cc1cc(Br)cnc1O[C@H](C)COC ZINC000070209003 190871992 /nfs/dbraw/zinc/87/19/92/190871992.db2.gz HVDVBOCQPGQTGT-SECBINFHSA-N 1 0 303.200 2.367 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000167387678 539612159 /nfs/dbraw/zinc/61/21/59/539612159.db2.gz IICBFFNEAPNQEI-HNNXBMFYSA-N 1 0 310.825 2.085 10 0 DEAERO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CN(CC[NH3+])CCO1 ZINC000616646304 362903460 /nfs/dbraw/zinc/90/34/60/362903460.db2.gz LXEOQHYNIQYJIM-OAHLLOKOSA-N 1 0 321.421 2.366 10 0 DEAERO CC(C)(C)OC(=O)NCCN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000616670171 362907490 /nfs/dbraw/zinc/90/74/90/362907490.db2.gz CRZLKZJZUNGBPA-CYBMUJFWSA-N 1 0 305.422 2.149 10 0 DEAERO CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@H]1CC[NH3+] ZINC000616681486 362908995 /nfs/dbraw/zinc/90/89/95/362908995.db2.gz YIHYLJATJWIHMG-MRXNPFEDSA-N 1 0 319.449 2.459 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000175406858 539623661 /nfs/dbraw/zinc/62/36/61/539623661.db2.gz LPCXDBWHLFJFSZ-WFASDCNBSA-N 1 0 315.417 2.105 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(=O)NCC2CCC2)cc1OC ZINC000180890030 539647511 /nfs/dbraw/zinc/64/75/11/539647511.db2.gz OXWVHJASJGRCJJ-LBPRGKRZSA-N 1 0 306.406 2.271 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COC2CCOCC2)cc1F ZINC000181343608 539651102 /nfs/dbraw/zinc/65/11/02/539651102.db2.gz ZJUWBXGYVHNVPA-DZGCQCFKSA-N 1 0 311.397 2.341 10 0 DEAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000182901347 539658450 /nfs/dbraw/zinc/65/84/50/539658450.db2.gz VELFKFMSKWIDQI-BLLLJJGKSA-N 1 0 302.349 2.476 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H](CC)C2)CC1 ZINC000080456484 192158250 /nfs/dbraw/zinc/15/82/50/192158250.db2.gz NNSHFPGCZZGYKY-UKRRQHHQSA-N 1 0 302.484 2.359 10 0 DEAERO Cc1cccc(OCCCNC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000183197328 539660501 /nfs/dbraw/zinc/66/05/01/539660501.db2.gz VCENULKSKXABJG-DOTOQJQBSA-N 1 0 320.433 2.037 10 0 DEAERO C[NH2+][C@H](c1cccc2c1OC(C)(C)C2)[C@H]1CCS(=O)(=O)C1 ZINC000080507493 192164253 /nfs/dbraw/zinc/16/42/53/192164253.db2.gz YZLNFPCBGVIACZ-JSGCOSHPSA-N 1 0 309.431 2.095 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000185956015 539673833 /nfs/dbraw/zinc/67/38/33/539673833.db2.gz MWBSOBWRQKQOHZ-MCMJNGCASA-N 1 0 320.477 2.164 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH3+])C[C@H]1CCOC1 ZINC000130152549 185941503 /nfs/dbraw/zinc/94/15/03/185941503.db2.gz HPDUMMKSCQMYED-GHMZBOCLSA-N 1 0 316.243 2.270 10 0 DEAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000188992657 539685458 /nfs/dbraw/zinc/68/54/58/539685458.db2.gz ZKWVBWZWQXHOOL-GOEBONIOSA-N 1 0 324.371 2.033 10 0 DEAERO [NH3+][C@]1(Cc2ccc(I)cc2)CCCOC1 ZINC000083850480 192385948 /nfs/dbraw/zinc/38/59/48/192385948.db2.gz RMDSISWLHHRKFR-LBPRGKRZSA-N 1 0 317.170 2.342 10 0 DEAERO CN(CCC(N)=[NH2+])Cc1ccc(I)cc1 ZINC000083849698 192386185 /nfs/dbraw/zinc/38/61/85/192386185.db2.gz FLOQUIFEGLUVSJ-UHFFFAOYSA-N 1 0 317.174 2.049 10 0 DEAERO Cc1sc(Br)cc1[C@@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000084006094 192395637 /nfs/dbraw/zinc/39/56/37/192395637.db2.gz UKWKGDRVTCVDFX-XCBNKYQSSA-N 1 0 324.265 2.254 10 0 DEAERO CCC[NH2+][C@H](C[S@@](=O)CCOC)c1cc(C)ccc1OC ZINC000084036268 192396709 /nfs/dbraw/zinc/39/67/09/192396709.db2.gz GMGWRWOTMQSXRY-QVKFZJNVSA-N 1 0 313.463 2.439 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Br)c(O)c1 ZINC000235615190 539736769 /nfs/dbraw/zinc/73/67/69/539736769.db2.gz YZZDCQMMJFBIIP-KCJUWKMLSA-N 1 0 313.195 2.025 10 0 DEAERO CCOC(=O)CCN(CCC[NH+](C)C)C(=O)C1CCCCC1 ZINC000071605143 190992160 /nfs/dbraw/zinc/99/21/60/190992160.db2.gz NAZVJICIYCITQQ-UHFFFAOYSA-N 1 0 312.454 2.300 10 0 DEAERO [NH3+]CCCc1nc(CC(=O)Nc2ccc3[nH]cnc3c2)cs1 ZINC000071695389 191007961 /nfs/dbraw/zinc/00/79/61/191007961.db2.gz XVDLXBWXUSYXGK-UHFFFAOYSA-N 1 0 315.402 2.092 10 0 DEAERO CC(=O)c1ccccc1NC(=O)Cc1csc(CC[NH3+])n1 ZINC000071695481 191008103 /nfs/dbraw/zinc/00/81/03/191008103.db2.gz BZZBSFVWSNGGSR-UHFFFAOYSA-N 1 0 303.387 2.028 10 0 DEAERO [NH3+]Cc1nc(CC(=O)Nc2ccc(N3CCCC3)cc2)cs1 ZINC000071696731 191008612 /nfs/dbraw/zinc/00/86/12/191008612.db2.gz WVXCPRCQWNNHLE-UHFFFAOYSA-N 1 0 316.430 2.383 10 0 DEAERO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000133719522 186009525 /nfs/dbraw/zinc/00/95/25/186009525.db2.gz OMQUJTOXSVKIHL-UONOGXRCSA-N 1 0 313.463 2.316 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)[C@@H](C)C(C)C)c1 ZINC000138521725 186017646 /nfs/dbraw/zinc/01/76/46/186017646.db2.gz BIHUCVPVQULCSE-JTQLQIEISA-N 1 0 320.405 2.349 10 0 DEAERO CCCC[C@@H](C)NS(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138936166 186019621 /nfs/dbraw/zinc/01/96/21/186019621.db2.gz KSOJMZSVOWASGI-SECBINFHSA-N 1 0 306.378 2.281 10 0 DEAERO CC[NH2+][C@@H](Cc1nccn1C)c1ncccc1Br ZINC000140495428 186026906 /nfs/dbraw/zinc/02/69/06/186026906.db2.gz UCKMYXXNEIRBSB-NSHDSACASA-N 1 0 309.211 2.471 10 0 DEAERO CC[C@@H](C[NH3+])Cc1nc(-c2ccc(Br)cn2)no1 ZINC000139802780 186023491 /nfs/dbraw/zinc/02/34/91/186023491.db2.gz NCRDVUVITIMMMS-MRVPVSSYSA-N 1 0 311.183 2.422 10 0 DEAERO Brc1cccnc1-c1noc(CC[NH2+]C2CC2)n1 ZINC000139877353 186024298 /nfs/dbraw/zinc/02/42/98/186024298.db2.gz HMZZDTPRPINASV-UHFFFAOYSA-N 1 0 309.167 2.189 10 0 DEAERO [NH3+]CC1(c2nc(-c3ncccc3Br)no2)CCC1 ZINC000139864170 186024323 /nfs/dbraw/zinc/02/43/23/186024323.db2.gz PZXSBDOBVFOZPB-UHFFFAOYSA-N 1 0 309.167 2.275 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](c2nc(-c3ncccc3Br)no2)C1 ZINC000139861679 186024625 /nfs/dbraw/zinc/02/46/25/186024625.db2.gz RVLVNFWHCKNLHN-HTQZYQBOSA-N 1 0 307.151 2.265 10 0 DEAERO Cc1ccc([C@H]2NC3(CCCC3)C(=O)N2CC[NH+](C)C)s1 ZINC000140014778 186025222 /nfs/dbraw/zinc/02/52/22/186025222.db2.gz PSPYFUSWPOFPFT-AWEZNQCLSA-N 1 0 307.463 2.361 10 0 DEAERO CCCn1ncnc1C[C@H]([NH3+])c1ncccc1Br ZINC000140363745 186026839 /nfs/dbraw/zinc/02/68/39/186026839.db2.gz QILVMKLAHXPJAW-JTQLQIEISA-N 1 0 310.199 2.088 10 0 DEAERO CCNc1ccccc1S(=O)(=O)N[C@H](CC)c1ncc[nH]1 ZINC000141690962 186030556 /nfs/dbraw/zinc/03/05/56/186030556.db2.gz WASMZUNYECPSQF-LLVKDONJSA-N 1 0 308.407 2.271 10 0 DEAERO Cc1c[nH+]c(NN)nc1OCc1cccc(Br)c1 ZINC000147821036 186041847 /nfs/dbraw/zinc/04/18/47/186041847.db2.gz JDPQXGKNQIMOSI-UHFFFAOYSA-N 1 0 309.167 2.412 10 0 DEAERO CCC[NH2+]Cc1cc(S(=O)(=O)NCC(F)F)ccc1C ZINC000148164780 186043132 /nfs/dbraw/zinc/04/31/32/186043132.db2.gz SMCJESJCNVYEQS-UHFFFAOYSA-N 1 0 306.378 2.038 10 0 DEAERO CC[NH+](CC)C[C@@H](C)N1C(=O)C2(CC2)N[C@H]1c1ccsc1 ZINC000145105578 186036368 /nfs/dbraw/zinc/03/63/68/186036368.db2.gz ITJAFAASTFXJSK-TZMCWYRMSA-N 1 0 307.463 2.441 10 0 DEAERO Cc1ccc([C@H]2NC3(CC3)C(=O)N2[C@@H](C)CC[NH+](C)C)s1 ZINC000145732948 186038091 /nfs/dbraw/zinc/03/80/91/186038091.db2.gz SPCAGNSBIYCZCR-FZMZJTMJSA-N 1 0 307.463 2.360 10 0 DEAERO C[C@@H](CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000149513051 186050690 /nfs/dbraw/zinc/05/06/90/186050690.db2.gz QCJPQZVZQLRVIH-IMJJTQAJSA-N 1 0 310.463 2.227 10 0 DEAERO CC1(C)CCC[C@H](NS(=O)(=O)c2ccc(C[NH3+])s2)C1 ZINC000150071980 186053993 /nfs/dbraw/zinc/05/39/93/186053993.db2.gz ZRVWLVMTUGVSFA-JTQLQIEISA-N 1 0 302.465 2.454 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)NCCCCC(F)(F)F)cs1 ZINC000149989468 186054035 /nfs/dbraw/zinc/05/40/35/186054035.db2.gz ONQPNBQLIYREMQ-UHFFFAOYSA-N 1 0 316.370 2.218 10 0 DEAERO CC[NH2+][C@H](Cc1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000150113778 186054572 /nfs/dbraw/zinc/05/45/72/186054572.db2.gz HFZHVVIFTZYMLD-DLBZAZTESA-N 1 0 307.459 2.131 10 0 DEAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000150130251 186054821 /nfs/dbraw/zinc/05/48/21/186054821.db2.gz PRGSHDSAGABGCU-AMIZOPFISA-N 1 0 307.337 2.189 10 0 DEAERO CCC[NH2+][C@@H](Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000150226004 186055429 /nfs/dbraw/zinc/05/54/29/186055429.db2.gz PMBCNXQNHULGEL-ABAIWWIYSA-N 1 0 317.401 2.310 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)N(C)Cc1ccc(Br)o1 ZINC000150238829 186055861 /nfs/dbraw/zinc/05/58/61/186055861.db2.gz AIQHOHIRCSVMFD-VIFPVBQESA-N 1 0 303.200 2.376 10 0 DEAERO Cc1cccc(NC(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150757705 186064030 /nfs/dbraw/zinc/06/40/30/186064030.db2.gz AMUHBKPQTREANM-MRXNPFEDSA-N 1 0 301.434 2.351 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261699952 539787319 /nfs/dbraw/zinc/78/73/19/539787319.db2.gz IFRYOBHZVMVFLF-RRFJBIMHSA-N 1 0 304.438 2.218 10 0 DEAERO C[S@](=O)c1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000152611707 186090052 /nfs/dbraw/zinc/09/00/52/186090052.db2.gz DCOJSFGVZNYPLB-YEBAVDOXSA-N 1 0 306.431 2.283 10 0 DEAERO Cn1ncc(Br)c1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000164114546 186149197 /nfs/dbraw/zinc/14/91/97/186149197.db2.gz BFAZTPVURNEVEE-LLVKDONJSA-N 1 0 308.179 2.455 10 0 DEAERO C[C@](O)(C[N@@H+]1CCCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000155865336 186119133 /nfs/dbraw/zinc/11/91/33/186119133.db2.gz CDZRXNMPWKRIOV-HNNXBMFYSA-N 1 0 316.367 2.464 10 0 DEAERO [NH3+]Cc1ccccc1NC(=O)C[S@](=O)c1ccc(F)cc1 ZINC000155918281 186122962 /nfs/dbraw/zinc/12/29/62/186122962.db2.gz AADZKNXOXYCRLH-OAQYLSRUSA-N 1 0 306.362 2.031 10 0 DEAERO COc1ccc(C[NH2+]C[C@@H](C)[S@@](C)=O)c(Cl)c1OC ZINC000159619863 186131445 /nfs/dbraw/zinc/13/14/45/186131445.db2.gz NHMVXRLQTWPWKZ-HOGDKLEQSA-N 1 0 305.827 2.214 10 0 DEAERO COc1cccc(C[NH2+]C[C@@H](C)[S@](C)=O)c1OC(F)F ZINC000159670381 186134165 /nfs/dbraw/zinc/13/41/65/186134165.db2.gz WLTIDMRCPBQHMS-GSDQLPOLSA-N 1 0 307.362 2.153 10 0 DEAERO Brc1cnccc1NCCOC1CC[NH2+]CC1 ZINC000163949532 186143494 /nfs/dbraw/zinc/14/34/94/186143494.db2.gz SZNMLTGMUKNFQT-UHFFFAOYSA-N 1 0 300.200 2.025 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000177867006 186195838 /nfs/dbraw/zinc/19/58/38/186195838.db2.gz ZFUYVCOKYOKIIW-DZGCQCFKSA-N 1 0 303.406 2.103 10 0 DEAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000183902860 186229346 /nfs/dbraw/zinc/22/93/46/186229346.db2.gz LZIHYEDECMCTMC-ZIAGYGMSSA-N 1 0 320.437 2.155 10 0 DEAERO [NH3+]Cc1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)co1 ZINC000187984738 186239331 /nfs/dbraw/zinc/23/93/31/186239331.db2.gz VVIWTMQCCNKKJO-DOTOQJQBSA-N 1 0 314.385 2.467 10 0 DEAERO COCCC[NH+]1CCC(NC(=O)N(C)Cc2ccc(C)o2)CC1 ZINC000194254977 186273301 /nfs/dbraw/zinc/27/33/01/186273301.db2.gz YOFLFQRIGIGXRK-UHFFFAOYSA-N 1 0 323.437 2.230 10 0 DEAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000171994862 198022356 /nfs/dbraw/zinc/02/23/56/198022356.db2.gz XZAWFIREALVSFZ-INIZCTEOSA-N 1 0 302.418 2.454 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)CCc2ccco2)C[C@@H]1CC ZINC000172298384 198074169 /nfs/dbraw/zinc/07/41/69/198074169.db2.gz ONDBQPLFSRGODQ-HNNXBMFYSA-N 1 0 308.422 2.172 10 0 DEAERO CN1C[C@H]([NH2+]Cc2cscc2Br)CCC1=O ZINC000286263511 539827290 /nfs/dbraw/zinc/82/72/90/539827290.db2.gz BCFFTCYAJBACFK-SECBINFHSA-N 1 0 303.225 2.221 10 0 DEAERO CC(C)CO[C@@H](C)c1noc(CN2CCC[N@@H+](C3CC3)CC2)n1 ZINC000080627705 192175485 /nfs/dbraw/zinc/17/54/85/192175485.db2.gz IRFWFUXWUHUNLG-AWEZNQCLSA-N 1 0 322.453 2.473 10 0 DEAERO CN(C(=O)c1ncccc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309728847 539878461 /nfs/dbraw/zinc/87/84/61/539878461.db2.gz QWAVZIWWZPLVGG-HNNXBMFYSA-N 1 0 310.401 2.010 10 0 DEAERO CCN(C(=O)c1cncc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617561081 363189794 /nfs/dbraw/zinc/18/97/94/363189794.db2.gz DMSAEYWKRVIJRO-GFCCVEGCSA-N 1 0 312.211 2.010 10 0 DEAERO Cc1ncc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)s1 ZINC000329553216 539923363 /nfs/dbraw/zinc/92/33/63/539923363.db2.gz DFCTVRNYXFQFIT-IINYFYTJSA-N 1 0 306.391 2.427 10 0 DEAERO Cc1nc(C2CC2)oc1-c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000329728269 539928447 /nfs/dbraw/zinc/92/84/47/539928447.db2.gz PACHSWAWUWLHJI-NWDGAFQWSA-N 1 0 316.361 2.446 10 0 DEAERO Cc1nc([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000332790273 539940135 /nfs/dbraw/zinc/94/01/35/539940135.db2.gz WJKVTPKYRQQJIG-ZYHUDNBSSA-N 1 0 308.451 2.296 10 0 DEAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(-n2ccnc2)c1 ZINC000332886443 539942724 /nfs/dbraw/zinc/94/27/24/539942724.db2.gz JTFHRYUDOSEPNO-DLBZAZTESA-N 1 0 310.401 2.229 10 0 DEAERO OCCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000072959884 191257841 /nfs/dbraw/zinc/25/78/41/191257841.db2.gz KTMYSLZJIPGZNA-UHFFFAOYSA-N 1 0 314.223 2.427 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000173267622 198203643 /nfs/dbraw/zinc/20/36/43/198203643.db2.gz IIINVMDPQLDMPE-GHMZBOCLSA-N 1 0 318.389 2.068 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2cccc(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000173270059 198204536 /nfs/dbraw/zinc/20/45/36/198204536.db2.gz QBMOZFXOXBAZNX-GDBMZVCRSA-N 1 0 305.422 2.304 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173269144 198204712 /nfs/dbraw/zinc/20/47/12/198204712.db2.gz OIFTZUALYDZCDD-OLZOCXBDSA-N 1 0 314.426 2.237 10 0 DEAERO COc1ccccc1CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173425785 198213323 /nfs/dbraw/zinc/21/33/23/198213323.db2.gz RWSHTTBZGBBIDG-HOCLYGCPSA-N 1 0 319.449 2.362 10 0 DEAERO O=C(NCCSc1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173501515 198221289 /nfs/dbraw/zinc/22/12/89/198221289.db2.gz YCHIJQIQFCMPCN-OAHLLOKOSA-N 1 0 317.458 2.434 10 0 DEAERO C[C@@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1cncc(F)c1 ZINC000333529605 539962444 /nfs/dbraw/zinc/96/24/44/539962444.db2.gz HUDHAKBNZUHWFF-MLGOLLRUSA-N 1 0 306.385 2.067 10 0 DEAERO Cc1sc(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1C ZINC000173652277 198236353 /nfs/dbraw/zinc/23/63/53/198236353.db2.gz ZUVJRLURHNIFAJ-CQSZACIVSA-N 1 0 307.463 2.392 10 0 DEAERO CSc1ccc(OCCN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000173675990 198238705 /nfs/dbraw/zinc/23/87/05/198238705.db2.gz DIZMGQGRQCCEMY-LSDHHAIUSA-N 1 0 324.490 2.174 10 0 DEAERO COCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)CC2 ZINC000182069421 199381805 /nfs/dbraw/zinc/38/18/05/199381805.db2.gz VDGRMQNSYVUSCO-HOCLYGCPSA-N 1 0 314.433 2.208 10 0 DEAERO O=C(NCc1cc(Cl)cc2c1OCC2)N[C@H]1CCCC[NH2+]C1 ZINC000333823926 539972732 /nfs/dbraw/zinc/97/27/32/539972732.db2.gz RNIMSCJJMHKDTC-AWEZNQCLSA-N 1 0 323.824 2.216 10 0 DEAERO C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000173826816 198257723 /nfs/dbraw/zinc/25/77/23/198257723.db2.gz COPGRAYMOZGOCO-ZIAGYGMSSA-N 1 0 317.433 2.334 10 0 DEAERO C[C@H]1CC[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000084987981 192479907 /nfs/dbraw/zinc/47/99/07/192479907.db2.gz MMNZACUDNKBPEY-KCQAQPDRSA-N 1 0 310.463 2.291 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(CCSc2ccccc2F)CC1 ZINC000174080150 198289549 /nfs/dbraw/zinc/28/95/49/198289549.db2.gz BNHAKYUXOCGGMS-AWEZNQCLSA-N 1 0 312.454 2.306 10 0 DEAERO COc1ncc(C)cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174964629 198408605 /nfs/dbraw/zinc/40/86/05/198408605.db2.gz QFBILLIQMZHTAG-CHWSQXEVSA-N 1 0 306.410 2.345 10 0 DEAERO CCOc1ccc(C(C)=O)cc1C[NH2+][C@](C)(CCO)COC ZINC000176373692 198579646 /nfs/dbraw/zinc/57/96/46/198579646.db2.gz VIZXJFMJCKICLC-QGZVFWFLSA-N 1 0 309.406 2.165 10 0 DEAERO C[C@@H](C[NH2+]C[C@@H](O)c1ccccc1)NC(=O)Cc1ccccc1 ZINC000040504049 354169306 /nfs/dbraw/zinc/16/93/06/354169306.db2.gz NMIXRSULZCHUEE-MAUKXSAKSA-N 1 0 312.413 2.057 10 0 DEAERO Cc1nnc([C@@H](C)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000069016743 354844636 /nfs/dbraw/zinc/84/46/36/354844636.db2.gz HFPSEYRFWDXUQG-HZSPNIEDSA-N 1 0 322.453 2.260 10 0 DEAERO C[C@@H](C1CC1)[NH+]1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000074884366 191379433 /nfs/dbraw/zinc/37/94/33/191379433.db2.gz PYTPLBAPRODQCW-AWEZNQCLSA-N 1 0 301.434 2.309 10 0 DEAERO Cc1cncc(CC[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000402863379 540143691 /nfs/dbraw/zinc/14/36/91/540143691.db2.gz YPQWLXXXQWZJEA-DNVCBOLYSA-N 1 0 310.445 2.438 10 0 DEAERO FCCC[NH+]1CCN(Cc2ccc(Br)cn2)CC1 ZINC000402725613 540143754 /nfs/dbraw/zinc/14/37/54/540143754.db2.gz OVZKOCYZBURJCM-UHFFFAOYSA-N 1 0 316.218 2.321 10 0 DEAERO Cc1nn(C)c(C[NH2+][C@@H]2COC(C)(C)C2)c1Br ZINC000396539594 540139182 /nfs/dbraw/zinc/13/91/82/540139182.db2.gz NSOYHLBZYFHAFB-VIFPVBQESA-N 1 0 302.216 2.148 10 0 DEAERO COC(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)nn1 ZINC000091482396 355599156 /nfs/dbraw/zinc/59/91/56/355599156.db2.gz IKDBWDULZUDFSB-CQSZACIVSA-N 1 0 318.421 2.108 10 0 DEAERO O[C@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CCCOCC1 ZINC000443624026 540184602 /nfs/dbraw/zinc/18/46/02/540184602.db2.gz HUDMEDHNKRPFRH-CYBMUJFWSA-N 1 0 303.324 2.331 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(F)c1 ZINC000367413307 283113484 /nfs/dbraw/zinc/11/34/84/283113484.db2.gz RAKYPJGBMHBKRW-MEDUHNTESA-N 1 0 324.371 2.395 10 0 DEAERO CC1(C)O[C@H]2O[C@H](C[N@@H+]3CCC[C@H]3c3ccccc3)[C@@H](O)[C@@H]2O1 ZINC000106385025 355722016 /nfs/dbraw/zinc/72/20/16/355722016.db2.gz FXRSTNMDEDRDHF-JZAWBGDQSA-N 1 0 319.401 2.061 10 0 DEAERO CCCC[C@H](C[NH3+])Nc1ncc(I)cn1 ZINC000126278884 355816327 /nfs/dbraw/zinc/81/63/27/355816327.db2.gz GTSDFSRHCIXGAA-SECBINFHSA-N 1 0 320.178 2.011 10 0 DEAERO CC(=O)N1C[C@@H](CO)C2(C1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000169751550 355980389 /nfs/dbraw/zinc/98/03/89/355980389.db2.gz XERVCDIXDVZKKF-HNNXBMFYSA-N 1 0 322.474 2.109 10 0 DEAERO CCCc1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)[nH]n1 ZINC000155329139 355947874 /nfs/dbraw/zinc/94/78/74/355947874.db2.gz QWUKERJRNRBKFR-INIZCTEOSA-N 1 0 314.433 2.265 10 0 DEAERO CCC[C@@H](C)C[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000180046527 356041160 /nfs/dbraw/zinc/04/11/60/356041160.db2.gz KMJRNHWBRONHDG-HZPDHXFCSA-N 1 0 309.498 2.488 10 0 DEAERO CN(C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)[C@@H]1CC[NH2+]C1 ZINC000179095324 356013900 /nfs/dbraw/zinc/01/39/00/356013900.db2.gz HQZINCPXENNLFA-CQSZACIVSA-N 1 0 312.373 2.048 10 0 DEAERO CC(C)C[C@@H](C)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000182034418 356106121 /nfs/dbraw/zinc/10/61/21/356106121.db2.gz JIDKCFNAGYFIGB-CABCVRRESA-N 1 0 313.486 2.155 10 0 DEAERO CCC(C)(C)NC(=O)CN1CCO[C@H](Cc2ccccc2)C1 ZINC000181546844 356084802 /nfs/dbraw/zinc/08/48/02/356084802.db2.gz KRESQZYWRWNUKP-MRXNPFEDSA-N 1 0 304.434 2.235 10 0 DEAERO COc1cccc([C@@H](C)[NH2+][C@@H](CC(N)=O)C2CCOCC2)c1 ZINC000181967707 356102605 /nfs/dbraw/zinc/10/26/05/356102605.db2.gz UOSSEKQVKFXSHO-WBMJQRKESA-N 1 0 306.406 2.016 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000080157028 192007202 /nfs/dbraw/zinc/00/72/02/192007202.db2.gz ORTBICRUNJQSDF-LZWOXQAQSA-N 1 0 308.447 2.263 10 0 DEAERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000183368368 356169452 /nfs/dbraw/zinc/16/94/52/356169452.db2.gz QXGYRFOCUKAIJL-INIZCTEOSA-N 1 0 301.438 2.444 10 0 DEAERO C[C@H](C(=O)N1CCCCCC1)[N@H+](CC(N)=S)C1CCCC1 ZINC000080222357 192013537 /nfs/dbraw/zinc/01/35/37/192013537.db2.gz YADYQHGQMGVOFU-CYBMUJFWSA-N 1 0 311.495 2.308 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)COCc1ccco1)[C@H]1COc2ccccc21 ZINC000185640074 356209393 /nfs/dbraw/zinc/20/93/93/356209393.db2.gz AMZNLOBUVUONOH-GRDNDAEWSA-N 1 0 317.385 2.311 10 0 DEAERO C[C@H](NCc1nsc(N(C)C)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686838 356209398 /nfs/dbraw/zinc/20/93/98/356209398.db2.gz HSTRFFABPQYAEP-STQMWFEESA-N 1 0 323.510 2.347 10 0 DEAERO C[C@@H](NCc1nsc(N(C)C)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686817 356209492 /nfs/dbraw/zinc/20/94/92/356209492.db2.gz HSTRFFABPQYAEP-CHWSQXEVSA-N 1 0 323.510 2.347 10 0 DEAERO COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC000080716596 192184106 /nfs/dbraw/zinc/18/41/06/192184106.db2.gz YCRZSQJYBAIQES-GOOCMWNKSA-N 1 0 318.417 2.449 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2cc(F)cc(F)c2)C1 ZINC000194557467 356241128 /nfs/dbraw/zinc/24/11/28/356241128.db2.gz COPHQTVAVCSMOE-OAHLLOKOSA-N 1 0 311.376 2.291 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000237119384 356294003 /nfs/dbraw/zinc/29/40/03/356294003.db2.gz CHGJTLXXLJYXBJ-SFHVURJKSA-N 1 0 323.396 2.495 10 0 DEAERO C/C=C\c1ccc(OCC(=O)N2CCC[C@H]2C[NH2+]C)c(OC)c1 ZINC000255508823 356337941 /nfs/dbraw/zinc/33/79/41/356337941.db2.gz WSJHSZZYMMEJES-VOKGJARPSA-N 1 0 318.417 2.318 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400770116 283158519 /nfs/dbraw/zinc/15/85/19/283158519.db2.gz NHCGWEDTRZDFAY-KBUPBQIOSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@H]1CN[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C[NH2+]1 ZINC000307733902 356409121 /nfs/dbraw/zinc/40/91/21/356409121.db2.gz UCAGOTDVYANPQO-QFBILLFUSA-N 1 0 323.440 2.165 10 0 DEAERO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2cnc(Cl)s2)cnn1C ZINC000328633623 356464692 /nfs/dbraw/zinc/46/46/92/356464692.db2.gz SQULIGNJSXHUDI-NWDGAFQWSA-N 1 0 312.826 2.458 10 0 DEAERO CC(C)c1nc(=N[C@@H]2CCO[C@H](c3cncn3C)C2)s[n-]1 ZINC000328641814 356466093 /nfs/dbraw/zinc/46/60/93/356466093.db2.gz YAJMNTVEGNVTIS-PWSUYJOCSA-N 1 0 307.423 2.149 10 0 DEAERO [NH3+]C[C@@H](c1cccc(Cl)c1Cl)N1CCn2cnnc2C1 ZINC000081532937 192285375 /nfs/dbraw/zinc/28/53/75/192285375.db2.gz HZGSFJRZHLBZLT-NSHDSACASA-N 1 0 312.204 2.101 10 0 DEAERO CCC[NH2+]Cc1c(Cl)cccc1N1CCn2cnnc2C1 ZINC000081537613 192286409 /nfs/dbraw/zinc/28/64/09/192286409.db2.gz CFZAIODDSNBHLX-UHFFFAOYSA-N 1 0 305.813 2.451 10 0 DEAERO CCN1CCc2nc(NC(=O)c3ccc(C[NH3+])cc3)sc2C1 ZINC000236829310 202029718 /nfs/dbraw/zinc/02/97/18/202029718.db2.gz KMGZMCGMXBDLIO-UHFFFAOYSA-N 1 0 316.430 2.232 10 0 DEAERO CN(C)c1ccc(Br)cc1NC(=O)CC1C[NH2+]C1 ZINC000081748554 192320543 /nfs/dbraw/zinc/32/05/43/192320543.db2.gz WIOCGJMNZJKZPN-UHFFFAOYSA-N 1 0 312.211 2.063 10 0 DEAERO CC[C@H](NC(=O)CCC1CC[NH2+]CC1)c1c(C)nn(C)c1C ZINC000236991580 202112126 /nfs/dbraw/zinc/11/21/26/202112126.db2.gz NSLGPFWPOMSHJW-HNNXBMFYSA-N 1 0 306.454 2.384 10 0 DEAERO [NH3+]CC1(O)CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000397050202 356718133 /nfs/dbraw/zinc/71/81/33/356718133.db2.gz XSQSJWXIQQMZIH-UHFFFAOYSA-N 1 0 318.204 2.311 10 0 DEAERO [NH3+]C1(CC(=O)Nc2ccc(I)cc2)CC1 ZINC000398094149 356719515 /nfs/dbraw/zinc/71/95/15/356719515.db2.gz ZTGFTFAAMJPIJH-UHFFFAOYSA-N 1 0 316.142 2.111 10 0 DEAERO COCC[N@@H+]1CCC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000399565824 356721317 /nfs/dbraw/zinc/72/13/17/356721317.db2.gz IIGZLUMEAXQFIH-NSHDSACASA-N 1 0 314.773 2.166 10 0 DEAERO Brc1ccc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)cc1 ZINC000404064901 356731781 /nfs/dbraw/zinc/73/17/81/356731781.db2.gz JKBOJESEVASRLX-KGLIPLIRSA-N 1 0 311.223 2.012 10 0 DEAERO CC[C@]1(O)CCOC2(CC[NH+](Cc3cnn(C)c3C)CC2)C1 ZINC000409419915 356736116 /nfs/dbraw/zinc/73/61/16/356736116.db2.gz PXLUWGWFLBBYIA-INIZCTEOSA-N 1 0 307.438 2.015 10 0 DEAERO CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC ZINC000409422860 356736617 /nfs/dbraw/zinc/73/66/17/356736617.db2.gz LEHBRHCPFGBRIN-OLZOCXBDSA-N 1 0 314.426 2.175 10 0 DEAERO CN(C)c1ccc([C@@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000409421947 356736629 /nfs/dbraw/zinc/73/66/29/356736629.db2.gz AEXFTXSFDBNRHA-LSDHHAIUSA-N 1 0 305.422 2.333 10 0 DEAERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2cn(CC3CC3)nn2)C1 ZINC000428189789 356737484 /nfs/dbraw/zinc/73/74/84/356737484.db2.gz SMWXOKGNMKVLSL-QCSYZSNVSA-N 1 0 318.465 2.450 10 0 DEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000393926510 356713398 /nfs/dbraw/zinc/71/33/98/356713398.db2.gz HEZPJYOHQDJBCG-QXAKKESOSA-N 1 0 320.477 2.417 10 0 DEAERO c1c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nnn1-c1ccccc1 ZINC000578846592 356881146 /nfs/dbraw/zinc/88/11/46/356881146.db2.gz JOLVUIMQPXVCNY-ZACQAIPSSA-N 1 0 310.401 2.315 10 0 DEAERO C(Cc1nc(C23CC4CC(CC(C4)C2)C3)no1)OC1C[NH2+]C1 ZINC000579931287 357053934 /nfs/dbraw/zinc/05/39/34/357053934.db2.gz BQOFKZSJAOCVPX-UHFFFAOYSA-N 1 0 303.406 2.068 10 0 DEAERO CCCCCN(C)S(=O)(=O)c1ccc(OCC[NH2+]C)cc1 ZINC000088952278 192667537 /nfs/dbraw/zinc/66/75/37/192667537.db2.gz UREUAHDQRWRCPH-UHFFFAOYSA-N 1 0 314.451 2.096 10 0 DEAERO CCC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)NC1CCCCC1 ZINC000088974940 192677240 /nfs/dbraw/zinc/67/72/40/192677240.db2.gz NTMLTBQWECTBQV-HNNXBMFYSA-N 1 0 317.499 2.008 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2ncsc2Br)CC[N@@H+]1C ZINC000581962731 357276267 /nfs/dbraw/zinc/27/62/67/357276267.db2.gz ACKCSGCTKLFMGE-HTQZYQBOSA-N 1 0 318.240 2.118 10 0 DEAERO Cc1c(CCC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)cnn1C ZINC000452346973 283287761 /nfs/dbraw/zinc/28/77/61/283287761.db2.gz YACJFEKJEILXPR-KRWDZBQOSA-N 1 0 320.481 2.288 10 0 DEAERO C[N@H+](C[C@H](O)COCc1ccccc1)C1CCC(CO)CC1 ZINC000179283911 199010092 /nfs/dbraw/zinc/01/00/92/199010092.db2.gz SKOBIUIIRAKKOY-VJFUWPCTSA-N 1 0 307.434 2.047 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000179268096 199007253 /nfs/dbraw/zinc/00/72/53/199007253.db2.gz VJQGXCFAPMPSKQ-IXDOHACOSA-N 1 0 317.433 2.252 10 0 DEAERO Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@H]3Cn3ccnc3)cc12 ZINC000179271574 199007763 /nfs/dbraw/zinc/00/77/63/199007763.db2.gz RWWFHCINOZSBRE-HNNXBMFYSA-N 1 0 310.405 2.138 10 0 DEAERO CCOC(=O)C(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179427815 199033391 /nfs/dbraw/zinc/03/33/91/199033391.db2.gz YQLSAUMKCAANCG-HUUCEWRRSA-N 1 0 318.417 2.137 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2)[C@@H]1c1ccccc1 ZINC000179470004 199041727 /nfs/dbraw/zinc/04/17/27/199041727.db2.gz ZRYACUAZIVKCHO-SJORKVTESA-N 1 0 323.396 2.187 10 0 DEAERO Fc1ccccc1-c1n[nH]cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179547995 199052950 /nfs/dbraw/zinc/05/29/50/199052950.db2.gz MQDMXEGHHOLCCR-CQSZACIVSA-N 1 0 300.381 2.496 10 0 DEAERO COc1ccc(C[C@H](C)C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1 ZINC000179571277 199056369 /nfs/dbraw/zinc/05/63/69/199056369.db2.gz KQZCSJQSVGWGFO-KKUMJFAQSA-N 1 0 304.434 2.425 10 0 DEAERO CN(C)c1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn1 ZINC000180190838 199128240 /nfs/dbraw/zinc/12/82/40/199128240.db2.gz DBJFHEMNIWARCR-WMZOPIPTSA-N 1 0 324.428 2.323 10 0 DEAERO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(C)n1 ZINC000180566241 199176539 /nfs/dbraw/zinc/17/65/39/199176539.db2.gz NMDVTPAIZLBNLM-IAGOWNOFSA-N 1 0 310.401 2.269 10 0 DEAERO CC[C@H](C)Oc1cc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)ccn1 ZINC000180668293 199193422 /nfs/dbraw/zinc/19/34/22/199193422.db2.gz ANORSKXMOMAEAU-DZGCQCFKSA-N 1 0 320.437 2.104 10 0 DEAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000192500809 283366154 /nfs/dbraw/zinc/36/61/54/283366154.db2.gz ZSYGWLSNDKIOLC-ANBUCNSHSA-N 1 0 307.438 2.025 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N(C)[C@@H](C)c2cnn(C)c2)CC1 ZINC000180795577 199210462 /nfs/dbraw/zinc/21/04/62/199210462.db2.gz HSEOMRGGGIHLNF-AWEZNQCLSA-N 1 0 321.469 2.245 10 0 DEAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H](C)c2cnn(C)c2)C1 ZINC000180812948 199212842 /nfs/dbraw/zinc/21/28/42/199212842.db2.gz CRTOOKPCWSSGMY-LSDHHAIUSA-N 1 0 321.469 2.100 10 0 DEAERO CC(=O)N1CCC([NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000596064064 358601711 /nfs/dbraw/zinc/60/17/11/358601711.db2.gz RNKNOQNQOPJYIO-MRXNPFEDSA-N 1 0 324.465 2.345 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NC(CC)(CC)CC)nc1 ZINC000089049279 192720742 /nfs/dbraw/zinc/72/07/42/192720742.db2.gz CIBHTYNWESWWKI-UHFFFAOYSA-N 1 0 313.467 2.438 10 0 DEAERO C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(CCC[NH3+])cc2)C1 ZINC000089050454 192721590 /nfs/dbraw/zinc/72/15/90/192721590.db2.gz PTYGFLLWSBHBMS-KBPBESRZSA-N 1 0 310.463 2.387 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c2ccccc21 ZINC000598679101 359287707 /nfs/dbraw/zinc/28/77/07/359287707.db2.gz XCXWCSCVYSTBIO-QOKQMOMRSA-N 1 0 308.447 2.231 10 0 DEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)Cc1cccnc1 ZINC000089251294 192751352 /nfs/dbraw/zinc/75/13/52/192751352.db2.gz PVFDYHCOXFPZKD-LBPRGKRZSA-N 1 0 323.238 2.259 10 0 DEAERO CC[C@H]1C[NH2+]CCN1Cc1c(Br)c(C)nn1CC ZINC000089279614 192757304 /nfs/dbraw/zinc/75/73/04/192757304.db2.gz ZFWVLAXOCBIVMA-NSHDSACASA-N 1 0 315.259 2.158 10 0 DEAERO C[C@H](NC(=O)C[N@H+](C)CC1(CO)CC1)c1ccccc1Cl ZINC000186783420 200009054 /nfs/dbraw/zinc/00/90/54/200009054.db2.gz UNNFXTLFWTXKKX-LBPRGKRZSA-N 1 0 310.825 2.222 10 0 DEAERO CC(C)[C@@H](NC(=O)C[N@H+](C)CC1(CO)CC1)c1ccc(F)cc1 ZINC000186807491 200013873 /nfs/dbraw/zinc/01/38/73/200013873.db2.gz UOISEQOAMCBZHG-QGZVFWFLSA-N 1 0 322.424 2.343 10 0 DEAERO Cc1csc([C@H](C)CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000186809602 200014270 /nfs/dbraw/zinc/01/42/70/200014270.db2.gz IRJLPUOFCHHMEB-OCCSQVGLSA-N 1 0 320.462 2.211 10 0 DEAERO CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000186850528 200022000 /nfs/dbraw/zinc/02/20/00/200022000.db2.gz AEMHFVGMFXUOLN-KGLIPLIRSA-N 1 0 303.406 2.078 10 0 DEAERO Cc1nc([C@H]2CCCN2C(=O)NC2CC[NH+](C)CC2)cs1 ZINC000187033805 200050457 /nfs/dbraw/zinc/05/04/57/200050457.db2.gz OCYUNLHCDJOEMN-CQSZACIVSA-N 1 0 308.451 2.392 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccncc2OC)C1 ZINC000187198671 200076175 /nfs/dbraw/zinc/07/61/75/200076175.db2.gz BEZLUBWXMFCBCI-UONOGXRCSA-N 1 0 320.437 2.277 10 0 DEAERO CCC[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+](C)C ZINC000179186697 283459779 /nfs/dbraw/zinc/45/97/79/283459779.db2.gz DWOQHWYUQSWKSL-KBPBESRZSA-N 1 0 306.406 2.015 10 0 DEAERO Cc1cnccc1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000187437102 200112220 /nfs/dbraw/zinc/11/22/20/200112220.db2.gz IKPJZIWGTXDYHV-UHFFFAOYSA-N 1 0 313.401 2.260 10 0 DEAERO c1nc2n(n1)C[C@@H]([NH2+]CCCCCOc1ccccc1)CC2 ZINC000187836083 200163964 /nfs/dbraw/zinc/16/39/64/200163964.db2.gz KJHFWXOTPOPMFE-HNNXBMFYSA-N 1 0 300.406 2.432 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000187889597 200172106 /nfs/dbraw/zinc/17/21/06/200172106.db2.gz GAOGQMYHCVZMEZ-DOMZBBRYSA-N 1 0 323.412 2.458 10 0 DEAERO c1cc(CN2CCC([NH2+]CCOCC3CCC3)CC2)ccn1 ZINC000515263735 283473288 /nfs/dbraw/zinc/47/32/88/283473288.db2.gz HZTMRBKDPXNUJE-UHFFFAOYSA-N 1 0 303.450 2.452 10 0 DEAERO CCC[C@@H](C(=O)NC[C@@H]1COC2(CCC(C)CC2)O1)[NH+](C)C ZINC000180871395 283474114 /nfs/dbraw/zinc/47/41/14/283474114.db2.gz KYJSIJLLIJMJCD-DGNOSDGRSA-N 1 0 312.454 2.155 10 0 DEAERO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000188262639 200219006 /nfs/dbraw/zinc/21/90/06/200219006.db2.gz HIMVANWQUDNDQH-GFCCVEGCSA-N 1 0 324.428 2.425 10 0 DEAERO CO[C@@H](C)c1cccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000188503347 200257029 /nfs/dbraw/zinc/25/70/29/200257029.db2.gz BTMKZDORQLZOEW-JTQLQIEISA-N 1 0 300.362 2.015 10 0 DEAERO COc1cc(CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc(OC)c1 ZINC000600944796 359867108 /nfs/dbraw/zinc/86/71/08/359867108.db2.gz JHSRAKWDQIFDGB-MRXNPFEDSA-N 1 0 306.406 2.147 10 0 DEAERO CC(=O)CC(C)(C)CC(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627741572 366608520 /nfs/dbraw/zinc/60/85/20/366608520.db2.gz NROCSGDYBFJZCI-UHFFFAOYSA-N 1 0 324.465 2.095 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)CC[NH2+]1 ZINC000189002075 200333359 /nfs/dbraw/zinc/33/33/59/200333359.db2.gz KFNWDFBDDCHEGB-SECBINFHSA-N 1 0 322.206 2.364 10 0 DEAERO CSCCCC[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000601966645 360212979 /nfs/dbraw/zinc/21/29/79/360212979.db2.gz SIASBCWCWWYZFH-QGZVFWFLSA-N 1 0 308.491 2.356 10 0 DEAERO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000443787567 238122865 /nfs/dbraw/zinc/12/28/65/238122865.db2.gz JIMRMCDNARSVCL-JKIFEVAISA-N 1 0 300.406 2.249 10 0 DEAERO C[C@H](NC(=O)N1CCC(c2ncc[nH]2)CC1)C(C)(C)C[NH+](C)C ZINC000443675210 238120538 /nfs/dbraw/zinc/12/05/38/238120538.db2.gz QVYDMQKRSYJNJX-ZDUSSCGKSA-N 1 0 321.469 2.275 10 0 DEAERO Cc1ccc([C@@H](CO)C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000006071070 181310779 /nfs/dbraw/zinc/31/07/79/181310779.db2.gz XFKXNUIIWKUVFV-FCLJQHQZSA-N 1 0 303.402 2.239 10 0 DEAERO c1nc2c(ncnc2N2CC[C@@H]([NH+]3CCCCC3)C2)n1C1CC1 ZINC000292725790 223219437 /nfs/dbraw/zinc/21/94/37/223219437.db2.gz LVZBTWXEJQPSNS-CQSZACIVSA-N 1 0 312.421 2.226 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000193403013 201045765 /nfs/dbraw/zinc/04/57/65/201045765.db2.gz WDQGSBGYICKKPB-GZMMTYOYSA-N 1 0 323.245 2.270 10 0 DEAERO CCc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000193659267 201096967 /nfs/dbraw/zinc/09/69/67/201096967.db2.gz ZQSNHLNFKKLBQP-XJKSGUPXSA-N 1 0 302.418 2.469 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCc2cc(C(=O)OC)ccc21 ZINC000611408677 361593180 /nfs/dbraw/zinc/59/31/80/361593180.db2.gz YVLPSZZYXAZVCK-MRXNPFEDSA-N 1 0 316.401 2.237 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCc3cccnc32)CC[N@@H+]1C ZINC000194450901 201229862 /nfs/dbraw/zinc/22/98/62/201229862.db2.gz WDAUDRHNOZRJGQ-FVQBIDKESA-N 1 0 301.434 2.443 10 0 DEAERO Cc1ncc(Br)c(=O)n1CC[NH2+]CC1CCCC1 ZINC000090769001 192931641 /nfs/dbraw/zinc/93/16/41/192931641.db2.gz UDMKZFKVEYSOKW-UHFFFAOYSA-N 1 0 314.227 2.094 10 0 DEAERO COCC1(C)CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000447880440 239150348 /nfs/dbraw/zinc/15/03/48/239150348.db2.gz FOUKSYJGVCGEOB-UHFFFAOYSA-N 1 0 302.418 2.391 10 0 DEAERO COC(=O)C1(C[NH2+]Cc2ccc(-n3cncn3)cc2)CCCC1 ZINC000619654281 363847959 /nfs/dbraw/zinc/84/79/59/363847959.db2.gz CEGOVHNOJLKZHK-UHFFFAOYSA-N 1 0 314.389 2.090 10 0 DEAERO CCOCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620190710 363987230 /nfs/dbraw/zinc/98/72/30/363987230.db2.gz QMVVMTATCSLAAH-QGZVFWFLSA-N 1 0 316.445 2.441 10 0 DEAERO CO[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449275461 240291144 /nfs/dbraw/zinc/29/11/44/240291144.db2.gz MPADVBWJVDGJHW-BPLDGKMQSA-N 1 0 311.447 2.351 10 0 DEAERO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(Cl)c(OC)c2)CC1 ZINC000623572863 365083649 /nfs/dbraw/zinc/08/36/49/365083649.db2.gz PJTHHXWNOYPXIX-UHFFFAOYSA-N 1 0 317.838 2.406 10 0 DEAERO c1nnn(-c2ccccc2)c1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000623729201 365152034 /nfs/dbraw/zinc/15/20/34/365152034.db2.gz SDVAMOJVCNVEQI-KRWDZBQOSA-N 1 0 311.433 2.374 10 0 DEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000623767227 365167133 /nfs/dbraw/zinc/16/71/33/365167133.db2.gz SHTHVXJDZYQGFQ-NEPJUHHUSA-N 1 0 320.614 2.342 10 0 DEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000623767639 365168519 /nfs/dbraw/zinc/16/85/19/365168519.db2.gz ZLHATPLQLZMTHS-NEPJUHHUSA-N 1 0 320.614 2.342 10 0 DEAERO CN(Cc1ccc(Cl)cc1)[C@@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323357 193040695 /nfs/dbraw/zinc/04/06/95/193040695.db2.gz CVFYTNDVLWOJEJ-OAHLLOKOSA-N 1 0 309.841 2.112 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000091331500 193041544 /nfs/dbraw/zinc/04/15/44/193041544.db2.gz MEXMMSCENLAOIK-LLVKDONJSA-N 1 0 324.215 2.413 10 0 DEAERO COc1ccc(Br)cc1C[C@@H](O)C[NH2+]C1CC1 ZINC000091466259 193059081 /nfs/dbraw/zinc/05/90/81/193059081.db2.gz DMURHWWBRQWLHC-GFCCVEGCSA-N 1 0 300.196 2.113 10 0 DEAERO O=C(Nc1cccc(NC(=O)C2C[NH2+]C2)c1)c1cccs1 ZINC000091411401 193051998 /nfs/dbraw/zinc/05/19/98/193051998.db2.gz UIXJZYMDZZKVQW-UHFFFAOYSA-N 1 0 301.371 2.158 10 0 DEAERO CN(Cc1ccc(Br)cc1)c1cncc(C[NH3+])n1 ZINC000091421018 193054344 /nfs/dbraw/zinc/05/43/44/193054344.db2.gz BZIDXYHJPYMRDN-UHFFFAOYSA-N 1 0 307.195 2.334 10 0 DEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)C(C)(C)N1CCCC1 ZINC000091535076 193069915 /nfs/dbraw/zinc/06/99/15/193069915.db2.gz SQNHZMNWJWGYEI-CQSZACIVSA-N 1 0 304.500 2.054 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@](C)(CC)N1CCCCC1 ZINC000091610303 193080004 /nfs/dbraw/zinc/08/00/04/193080004.db2.gz RGJKIMGTOPDSPL-HOTGVXAUSA-N 1 0 318.527 2.444 10 0 DEAERO Cc1nn(C)c(C[C@@](C)(O)CC[NH2+]C(C)C)c1Br ZINC000091469386 193060075 /nfs/dbraw/zinc/06/00/75/193060075.db2.gz DGYPBVGMCFVCCW-ZDUSSCGKSA-N 1 0 318.259 2.173 10 0 DEAERO Cc1nn(C)c(C[C@](C)(O)CC[NH2+]C(C)C)c1Br ZINC000091469383 193060836 /nfs/dbraw/zinc/06/08/36/193060836.db2.gz DGYPBVGMCFVCCW-CYBMUJFWSA-N 1 0 318.259 2.173 10 0 DEAERO COc1ccc(-c2csc([C@@H]3C[NH2+]CCO3)n2)cc1OC ZINC000091501372 193064992 /nfs/dbraw/zinc/06/49/92/193064992.db2.gz ANILTJFTBCKLBS-AWEZNQCLSA-N 1 0 306.387 2.488 10 0 DEAERO C[C@](O)(C[NH3+])Cc1nc2cc(Br)ccc2n1C1CC1 ZINC000091503030 193066433 /nfs/dbraw/zinc/06/64/33/193066433.db2.gz ARCWGNGBPZGUMQ-CQSZACIVSA-N 1 0 324.222 2.386 10 0 DEAERO [NH3+][C@H](Cc1ccncc1Cl)C1(N2CCOCC2)CCCC1 ZINC000091642898 193084312 /nfs/dbraw/zinc/08/43/12/193084312.db2.gz YSXNTPQICCIAHN-OAHLLOKOSA-N 1 0 309.841 2.250 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cc(Br)cs1 ZINC000624238178 365347427 /nfs/dbraw/zinc/34/74/27/365347427.db2.gz LWEYOMCZQINJLP-HGNGGELXSA-N 1 0 306.225 2.311 10 0 DEAERO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1cn[nH]c1)C1CC1 ZINC000624241235 365348559 /nfs/dbraw/zinc/34/85/59/365348559.db2.gz CKMPXTLIJUKZCF-NUEKZKHPSA-N 1 0 315.421 2.352 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000091717711 193097055 /nfs/dbraw/zinc/09/70/55/193097055.db2.gz DUBYRQOZRLBNJQ-KGLIPLIRSA-N 1 0 303.233 2.455 10 0 DEAERO CN[C@H](c1cc(Cl)ccc1OC)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721309 193097346 /nfs/dbraw/zinc/09/73/46/193097346.db2.gz RDSJSWZEAKLZAZ-UHOFOFEASA-N 1 0 310.825 2.472 10 0 DEAERO c1nnc([C@@H]2CCCN(CC[NH+]3CCCCC3)C2)n1C1CC1 ZINC000091629124 193081916 /nfs/dbraw/zinc/08/19/16/193081916.db2.gz QCVAINNQZPUZJY-OAHLLOKOSA-N 1 0 303.454 2.278 10 0 DEAERO O=C1N(Cc2ccc(Cl)c(Cl)c2)C[C@H]2C[NH2+]CCN12 ZINC000091750914 193102400 /nfs/dbraw/zinc/10/24/00/193102400.db2.gz NSGGEXCUOWYDQE-SNVBAGLBSA-N 1 0 300.189 2.203 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000624415497 365415684 /nfs/dbraw/zinc/41/56/84/365415684.db2.gz MMJHXUHEKYCAIV-NTSWFWBYSA-N 1 0 315.247 2.084 10 0 DEAERO CCC[NH2+]C1CCC(N(C)S(=O)(=O)c2cccnc2)CC1 ZINC000091869851 193121021 /nfs/dbraw/zinc/12/10/21/193121021.db2.gz RQIZLWJVYCTHDF-UHFFFAOYSA-N 1 0 311.451 2.013 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2ccc(F)cc2C)CC1 ZINC000091869962 193121543 /nfs/dbraw/zinc/12/15/43/193121543.db2.gz ZLQDVXNOGDGBAT-UHFFFAOYSA-N 1 0 314.426 2.285 10 0 DEAERO C[C@@](O)(c1ccccc1Br)[C@]1(C[NH3+])CCOC1 ZINC000091905896 193125156 /nfs/dbraw/zinc/12/51/56/193125156.db2.gz OIBAEWBJJYMIEK-OLZOCXBDSA-N 1 0 300.196 2.022 10 0 DEAERO CCS(=O)(=O)CCOc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996254 193138590 /nfs/dbraw/zinc/13/85/90/193138590.db2.gz ZMYPVTOYMFUJMY-UHFFFAOYSA-N 1 0 314.451 2.092 10 0 DEAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@H]1CN(C)CCO1 ZINC000092054311 193149518 /nfs/dbraw/zinc/14/95/18/193149518.db2.gz TWYKIGFDORXHJP-GFCCVEGCSA-N 1 0 319.232 2.422 10 0 DEAERO COc1c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)nn1C ZINC000092066732 193152916 /nfs/dbraw/zinc/15/29/16/193152916.db2.gz IPBXHHZBYLBSBH-PBHICJAKSA-N 1 0 318.465 2.186 10 0 DEAERO O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449729826 241000678 /nfs/dbraw/zinc/00/06/78/241000678.db2.gz BROBKHWZBGPSRC-PNEXNCLXSA-N 1 0 306.356 2.279 10 0 DEAERO [NH3+]CC[C@H](NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)C(F)(F)F ZINC000449732503 241005573 /nfs/dbraw/zinc/00/55/73/241005573.db2.gz ZTYFQWWRHNEBQZ-PEXQALLHSA-N 1 0 322.277 2.464 10 0 DEAERO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](O)CC1(O)CCOCC1 ZINC000630039923 367449636 /nfs/dbraw/zinc/44/96/36/367449636.db2.gz ZKKCRMHUADQDMR-HZPDHXFCSA-N 1 0 307.434 2.280 10 0 DEAERO CO[C@@H]1CN(Cc2ccc(Br)cc2)[C@@](C)(C[NH3+])C1 ZINC000630355850 367607968 /nfs/dbraw/zinc/60/79/68/367607968.db2.gz LOMSRWASDHOMGV-UONOGXRCSA-N 1 0 313.239 2.387 10 0 DEAERO CC[NH2+]Cc1ccc(F)c(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092113459 193161531 /nfs/dbraw/zinc/16/15/31/193161531.db2.gz PLDXHFDLOIEUHN-RYUDHWBXSA-N 1 0 314.426 2.212 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c(C)cc1C ZINC000092113387 193161625 /nfs/dbraw/zinc/16/16/25/193161625.db2.gz IYMDTPLVFLRMTM-KBPBESRZSA-N 1 0 310.463 2.299 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C2CC2)c(F)c1 ZINC000092115582 193163636 /nfs/dbraw/zinc/16/36/36/193163636.db2.gz ZBTABVASEGKUPC-UHFFFAOYSA-N 1 0 300.399 2.107 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH2+]C)C(C)(C)OC)c1Br ZINC000092139056 193167722 /nfs/dbraw/zinc/16/77/22/193167722.db2.gz FEESCHKMRPVVRY-NSHDSACASA-N 1 0 318.259 2.301 10 0 DEAERO Cc1scc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1C ZINC000631056424 367992589 /nfs/dbraw/zinc/99/25/89/367992589.db2.gz JLOUNPKBEGAZGH-UHFFFAOYSA-N 1 0 316.492 2.126 10 0 DEAERO c1c(C[NH2+]C2CC(c3ccccc3)C2)nnn1C[C@H]1CCOC1 ZINC000631065703 367998039 /nfs/dbraw/zinc/99/80/39/367998039.db2.gz OIQHPCJLZVKBQB-ODIFPOPNSA-N 1 0 312.417 2.350 10 0 DEAERO c1c(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)nnn1C[C@H]1CCOC1 ZINC000631079026 368006541 /nfs/dbraw/zinc/00/65/41/368006541.db2.gz CISAYAPZWSOGAG-NUJGCVRESA-N 1 0 312.417 2.035 10 0 DEAERO c1csc(-c2nccc(NC3CC([NH+]4CCCCC4)C3)n2)n1 ZINC000631256419 368105217 /nfs/dbraw/zinc/10/52/17/368105217.db2.gz DYESPCZJAMEVTN-UHFFFAOYSA-N 1 0 315.446 2.451 10 0 DEAERO c1ccc(-c2nnc3ccc(N4CC([NH+]5CCCC5)C4)nn32)cc1 ZINC000631354098 368170967 /nfs/dbraw/zinc/17/09/67/368170967.db2.gz WCMAEPXHZRNHSM-UHFFFAOYSA-N 1 0 320.400 2.076 10 0 DEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc(Cl)c2-n2cccn2)C1 ZINC000092204138 193173288 /nfs/dbraw/zinc/17/32/88/193173288.db2.gz DUAYLIQNVSRGQK-MNOVXSKESA-N 1 0 302.765 2.368 10 0 DEAERO CSc1ccc(-c2nc([C@H](C)N3CC[NH2+]CC3)no2)cc1 ZINC000092234175 193177460 /nfs/dbraw/zinc/17/74/60/193177460.db2.gz OBGANIMOGJLTFP-NSHDSACASA-N 1 0 304.419 2.425 10 0 DEAERO Brc1ccc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)nc1 ZINC000631890631 368445786 /nfs/dbraw/zinc/44/57/86/368445786.db2.gz UGKSLCYPQUHOHI-FZMZJTMJSA-N 1 0 310.239 2.418 10 0 DEAERO [NH3+][C@@H]1CCCCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000631960272 368468227 /nfs/dbraw/zinc/46/82/27/368468227.db2.gz MGJIWNOBLSMBDF-LLVKDONJSA-N 1 0 302.827 2.232 10 0 DEAERO [NH3+]CC1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000631980627 368479773 /nfs/dbraw/zinc/47/97/73/368479773.db2.gz CVKUULVUMBICBD-UHFFFAOYSA-N 1 0 302.827 2.280 10 0 DEAERO O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252671322 202868284 /nfs/dbraw/zinc/86/82/84/202868284.db2.gz ONWNFMCDVHYCKK-IOASZLSFSA-N 1 0 312.417 2.142 10 0 DEAERO COCC[N@H+](CCO)Cc1cccc(OCc2ccccn2)c1 ZINC000093006258 193192619 /nfs/dbraw/zinc/19/26/19/193192619.db2.gz FDHDNCHIOYOOKG-UHFFFAOYSA-N 1 0 316.401 2.101 10 0 DEAERO CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000261851804 203134094 /nfs/dbraw/zinc/13/40/94/203134094.db2.gz RNNXMKVJRNQFSS-MAZHCROVSA-N 1 0 306.406 2.157 10 0 DEAERO O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000261930206 203155483 /nfs/dbraw/zinc/15/54/83/203155483.db2.gz JJCZMCAANQBCRY-UAGQMJEPSA-N 1 0 302.418 2.270 10 0 DEAERO C[S@](=O)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000262485257 203306627 /nfs/dbraw/zinc/30/66/27/203306627.db2.gz ULOAGPAETSZNJT-VNSASSJJSA-N 1 0 320.458 2.424 10 0 DEAERO Cc1cccc(-c2cccc(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)c2)c1 ZINC000262485723 203307467 /nfs/dbraw/zinc/30/74/67/203307467.db2.gz YRFUYXXOISHJCF-MSOLQXFVSA-N 1 0 310.397 2.001 10 0 DEAERO O=S1(=O)CC[C@@H](C2(C[C@H]3Cc4ccccc4S3)C[NH2+]C2)C1 ZINC000093195357 193214455 /nfs/dbraw/zinc/21/44/55/193214455.db2.gz DQVQNDURXQGYHH-ZIAGYGMSSA-N 1 0 323.483 2.118 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000093213221 193217060 /nfs/dbraw/zinc/21/70/60/193217060.db2.gz QUABGKAWRXHRLU-VHSXEESVSA-N 1 0 304.362 2.365 10 0 DEAERO Cc1nn(C)c(CO[C@H]2CCC[C@H]([NH3+])C2)c1Br ZINC000093217946 193217162 /nfs/dbraw/zinc/21/71/62/193217162.db2.gz ZBTBWYFUIIDJBS-UWVGGRQHSA-N 1 0 302.216 2.278 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H](Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000093213227 193217441 /nfs/dbraw/zinc/21/74/41/193217441.db2.gz QUABGKAWRXHRLU-NXEZZACHSA-N 1 0 304.362 2.365 10 0 DEAERO [NH3+][C@@H]1CC[C@H](OCC(=O)Nc2cccc(Br)c2)C1 ZINC000093217325 193217590 /nfs/dbraw/zinc/21/75/90/193217590.db2.gz XSDMXTFAUWWRRF-PWSUYJOCSA-N 1 0 313.195 2.284 10 0 DEAERO [NH3+][C@H]1CC[C@@H](Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000093218781 193218495 /nfs/dbraw/zinc/21/84/95/193218495.db2.gz IJMFPYRURVLFFP-WCBMZHEXSA-N 1 0 309.309 2.239 10 0 DEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000093252451 193220619 /nfs/dbraw/zinc/22/06/19/193220619.db2.gz YBWPVCVFSVOYRG-NSHDSACASA-N 1 0 302.415 2.341 10 0 DEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000093265744 193222472 /nfs/dbraw/zinc/22/24/72/193222472.db2.gz HLIMGXDIJTXCLG-NSHDSACASA-N 1 0 302.415 2.341 10 0 DEAERO C[C@H](Cc1cccs1)[N@H+](C)Cc1ccc(C(N)=O)cc1N ZINC000093266226 193222554 /nfs/dbraw/zinc/22/25/54/193222554.db2.gz CMQUBNDIVXXMCA-LLVKDONJSA-N 1 0 303.431 2.492 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(F)c(Br)c1)C(OC)OC ZINC000093304905 193228037 /nfs/dbraw/zinc/22/80/37/193228037.db2.gz WTDNWMKIEXKMLH-NSHDSACASA-N 1 0 306.175 2.338 10 0 DEAERO C[S@](=O)Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1Cl ZINC000262645865 203363100 /nfs/dbraw/zinc/36/31/00/203363100.db2.gz RSOSXXYEHGAZCJ-SSBAMLGTSA-N 1 0 314.838 2.284 10 0 DEAERO CC(C)(C)[NH2+]Cc1c[nH]nc1-c1ccc(S(C)(=O)=O)cc1 ZINC000093296477 193226053 /nfs/dbraw/zinc/22/60/53/193226053.db2.gz GOTVNDVYFJPWQL-UHFFFAOYSA-N 1 0 307.419 2.368 10 0 DEAERO C[C@@H](Cc1cccs1)N(C)S(=O)(=O)c1ccccc1C[NH3+] ZINC000093294590 193226199 /nfs/dbraw/zinc/22/61/99/193226199.db2.gz BJKOBZJTQXRHFF-LBPRGKRZSA-N 1 0 324.471 2.459 10 0 DEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1[C@H]1CCCN(C(C)C)C1=O ZINC000248770244 284168486 /nfs/dbraw/zinc/16/84/86/284168486.db2.gz SNOXGZGFXOLFEW-FZKCQIBNSA-N 1 0 322.449 2.192 10 0 DEAERO CCC[NH2+][C@H](Cc1c(Br)c(C)nn1C)[C@@H](C)OC ZINC000093692250 193291295 /nfs/dbraw/zinc/29/12/95/193291295.db2.gz OVHGOXUYNVQPIL-GHMZBOCLSA-N 1 0 318.259 2.437 10 0 DEAERO CC[NH2+][C@@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093697959 193292799 /nfs/dbraw/zinc/29/27/99/193292799.db2.gz AGSQVGVRVQOJBM-KGLIPLIRSA-N 1 0 304.500 2.462 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](CC2(C[NH2+]C3CC3)CCCC2)C1 ZINC000093701500 193295132 /nfs/dbraw/zinc/29/51/32/193295132.db2.gz GEIPOBRIJFBIDB-AWEZNQCLSA-N 1 0 314.495 2.361 10 0 DEAERO CCC[NH2+]CC/C=C(/C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093703162 193295269 /nfs/dbraw/zinc/29/52/69/193295269.db2.gz IEDIVUFEJKZPSY-XIEDVDOYSA-N 1 0 302.484 2.384 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2nc3ccccc3o2)C1 ZINC000093777942 193305264 /nfs/dbraw/zinc/30/52/64/193305264.db2.gz MAYSBZNLYIKTBH-MEBBXXQBSA-N 1 0 305.403 2.306 10 0 DEAERO Cc1ccc2[nH]c(S[C@H]3CCC[C@]([NH3+])(C(N)=O)C3)nc2c1 ZINC000093779493 193305598 /nfs/dbraw/zinc/30/55/98/193305598.db2.gz JYPRALNDSKZNAM-ZUZCIYMTSA-N 1 0 304.419 2.089 10 0 DEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H](SC2CCOCC2)C1 ZINC000093779712 193306667 /nfs/dbraw/zinc/30/66/67/193306667.db2.gz MBSLBXUILFTYTN-DZGCQCFKSA-N 1 0 300.468 2.063 10 0 DEAERO COC(=O)[C@]1([NH3+])CCC[C@@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093780502 193307721 /nfs/dbraw/zinc/30/77/21/193307721.db2.gz BWFYNGUNEOOCBU-DOMZBBRYSA-N 1 0 309.435 2.307 10 0 DEAERO NC(=O)COC[C@H]([NH3+])c1ccc(Br)c2ccccc21 ZINC000093658369 193285244 /nfs/dbraw/zinc/28/52/44/193285244.db2.gz MZALHMIXEOIHNC-ZDUSSCGKSA-N 1 0 323.190 2.104 10 0 DEAERO CCCN(c1ccc(C[NH3+])cc1)S(=O)(=O)CCOC(C)C ZINC000093664741 193286769 /nfs/dbraw/zinc/28/67/69/193286769.db2.gz INZCCCXKTQSRSM-UHFFFAOYSA-N 1 0 314.451 2.117 10 0 DEAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)c1cccs1 ZINC000094024015 193339511 /nfs/dbraw/zinc/33/95/11/193339511.db2.gz KKNBIDUDVKZQQU-UHFFFAOYSA-N 1 0 302.465 2.148 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2nc3ccccc3s2)C1 ZINC000093849280 193317478 /nfs/dbraw/zinc/31/74/78/193317478.db2.gz WYQPCHNPQQETFG-OTYXRUKQSA-N 1 0 307.444 2.384 10 0 DEAERO NC(=O)[C@]1([NH3+])CC[C@H](Sc2cccc(Br)c2)C1 ZINC000093852772 193318626 /nfs/dbraw/zinc/31/86/26/193318626.db2.gz KAHMPLRQHCQHFP-JQWIXIFHSA-N 1 0 315.236 2.277 10 0 DEAERO CC[NH2+][C@]1(C(N)=O)CC[C@H](Sc2nc3ccccc3o2)C1 ZINC000093850869 193319068 /nfs/dbraw/zinc/31/90/68/193319068.db2.gz ARWSKPXZFKUNCV-ZUZCIYMTSA-N 1 0 305.403 2.306 10 0 DEAERO NC(=O)[C@@]1([NH2+]C2CC2)CC[C@@H](Sc2ccc(Cl)cn2)C1 ZINC000093854037 193319619 /nfs/dbraw/zinc/31/96/19/193319619.db2.gz KIAYUTZGLCQHDU-BXUZGUMPSA-N 1 0 311.838 2.356 10 0 DEAERO C[NH2+][C@]1(CO)CC[C@H](Oc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000093859627 193319638 /nfs/dbraw/zinc/31/96/38/193319638.db2.gz QSJHRDSQNXDNOE-DAZKTRTLSA-N 1 0 311.250 2.264 10 0 DEAERO CC(C)[NH2+][C@]1(CO)CC[C@H](Sc2nnc3ccccn32)C1 ZINC000093859903 193319996 /nfs/dbraw/zinc/31/99/96/193319996.db2.gz DAPJFKNIEHQWJV-SWLSCSKDSA-N 1 0 306.435 2.103 10 0 DEAERO CCN(CC(C)(C)C[NH3+])[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000093876657 193322337 /nfs/dbraw/zinc/32/23/37/193322337.db2.gz ZMBOKHNLONFJIJ-CYBMUJFWSA-N 1 0 312.479 2.458 10 0 DEAERO CC[NH2+][C@H](c1ccc(F)c(F)c1F)[C@@H]1CN(C)CCN1C ZINC000093895188 193325195 /nfs/dbraw/zinc/32/51/95/193325195.db2.gz NDHAIZIMSWVYQB-SWLSCSKDSA-N 1 0 301.356 2.000 10 0 DEAERO CC(C)[NH2+]Cc1cc2ccccc2nc1SC[C@@H](O)CO ZINC000093960617 193332374 /nfs/dbraw/zinc/33/23/74/193332374.db2.gz VDIZBUIWZCVTAN-AWEZNQCLSA-N 1 0 306.431 2.178 10 0 DEAERO CCC[C@H]1CCC[C@@](C[NH3+])(N(C)CCS(C)(=O)=O)CC1 ZINC000094297889 193357153 /nfs/dbraw/zinc/35/71/53/193357153.db2.gz JAZQSYDXNYZBPE-LSDHHAIUSA-N 1 0 304.500 2.041 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(F)c(O[C@@H](C)C(=O)N(C)C)c(F)c1 ZINC000094350421 193363524 /nfs/dbraw/zinc/36/35/24/193363524.db2.gz WSHUZLYZWKCSIS-GXSJLCMTSA-N 1 0 300.349 2.100 10 0 DEAERO CCNC(=O)COc1c(F)cc(C[NH2+]C(C)(C)C)cc1F ZINC000094347764 193363596 /nfs/dbraw/zinc/36/35/96/193363596.db2.gz BTLUIFWVXPUQAG-UHFFFAOYSA-N 1 0 300.349 2.368 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(O[C@@H](C)C(=O)N(C)C)c(F)c1 ZINC000094347284 193363686 /nfs/dbraw/zinc/36/36/86/193363686.db2.gz AJJLAXCDLGCYKX-JTQLQIEISA-N 1 0 300.349 2.320 10 0 DEAERO Cc1cc(NC(=O)[C@H](C[NH3+])C(C)C)ncc1Br ZINC000094063670 193342729 /nfs/dbraw/zinc/34/27/29/193342729.db2.gz CWSGFIIDWDQQJX-SECBINFHSA-N 1 0 300.200 2.322 10 0 DEAERO CC[NH2+][C@@H](c1cc(C)c(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000094077962 193344131 /nfs/dbraw/zinc/34/41/31/193344131.db2.gz ZFQRTMAGRWTXCM-QMTHXVAHSA-N 1 0 303.374 2.359 10 0 DEAERO CC[C@@](C)([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000094237028 193353483 /nfs/dbraw/zinc/35/34/83/193353483.db2.gz YUDNWAZXDIKDAI-OAHLLOKOSA-N 1 0 310.419 2.479 10 0 DEAERO CCC([NH3+])(CC)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000094243991 193354280 /nfs/dbraw/zinc/35/42/80/193354280.db2.gz QCHUNHFSBBQDPN-UHFFFAOYSA-N 1 0 311.769 2.127 10 0 DEAERO COc1cccc([C@@H]([NH3+])CS(=O)(=O)c2cccc(F)c2)c1 ZINC000094624910 193385652 /nfs/dbraw/zinc/38/56/52/193385652.db2.gz WINSBCYJEYFWMA-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H](Oc2cccc3c2CC[C@@H]3[NH3+])C1 ZINC000094634510 193386385 /nfs/dbraw/zinc/38/63/85/193386385.db2.gz VUEYUNRFNBOYMA-ZOWXZIJZSA-N 1 0 309.431 2.367 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H](Oc2c(F)cc(C[NH3+])cc2F)C1 ZINC000094634586 193386640 /nfs/dbraw/zinc/38/66/40/193386640.db2.gz DKCOEOZJIRZVCR-WDEREUQCSA-N 1 0 319.373 2.158 10 0 DEAERO C[C@H]([NH3+])Cc1ccc(O[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000094643229 193389151 /nfs/dbraw/zinc/38/91/51/193389151.db2.gz HYYDIWLEFLQYMK-RCBQFDQVSA-N 1 0 311.447 2.311 10 0 DEAERO C[C@@H](C[N@H+](C)[C@@H]1CCOC2(CCSCC2)C1)C(N)=S ZINC000094375898 193367353 /nfs/dbraw/zinc/36/73/53/193367353.db2.gz YXCKRJUGTBMOHJ-NWDGAFQWSA-N 1 0 302.509 2.285 10 0 DEAERO CC[NH2+][C@@H]([C@@H]1COCCO1)[C@H]1CCOC2(CCSCC2)C1 ZINC000094405482 193367933 /nfs/dbraw/zinc/36/79/33/193367933.db2.gz ZQOBDZWTYUSJOA-SOUVJXGZSA-N 1 0 315.479 2.072 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094418782 193368392 /nfs/dbraw/zinc/36/83/92/193368392.db2.gz QQWFGJVRFPEJSS-HUUCEWRRSA-N 1 0 317.495 2.056 10 0 DEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)[C@@H]1CSCCO1 ZINC000094503206 193374292 /nfs/dbraw/zinc/37/42/92/193374292.db2.gz ONOQFKOTZYRQBI-JQWIXIFHSA-N 1 0 303.859 2.127 10 0 DEAERO C[NH2+][C@H]([C@@H]1CCOC2(CCSCC2)C1)[C@@H]1CSCCO1 ZINC000094503131 193374582 /nfs/dbraw/zinc/37/45/82/193374582.db2.gz NRYIBCCGAWSOBA-HZSPNIEDSA-N 1 0 317.520 2.399 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)[C@H]1CSCCS1 ZINC000094498745 193374615 /nfs/dbraw/zinc/37/46/15/193374615.db2.gz XSHOAPJAAGUVAK-NWDGAFQWSA-N 1 0 311.538 2.028 10 0 DEAERO CC[NH2+][C@@H](Cc1nc2ccccc2n1C)[C@@H]1CSCCO1 ZINC000094503605 193374848 /nfs/dbraw/zinc/37/48/48/193374848.db2.gz YTIFEENBBHUPKH-ZFWWWQNUSA-N 1 0 305.447 2.226 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2ccc(F)cc2Br)C1 ZINC000094548655 193378078 /nfs/dbraw/zinc/37/80/78/193378078.db2.gz OHGDDRFJTXCQIJ-WPRPVWTQSA-N 1 0 315.186 2.398 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](C)C[C@H]([NH3+])C1 ZINC000094550208 193378844 /nfs/dbraw/zinc/37/88/44/193378844.db2.gz QYKQFPAVDFVCPK-CABZTGNLSA-N 1 0 302.827 2.006 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@H]([NH3+])C1 ZINC000094550451 193378862 /nfs/dbraw/zinc/37/88/62/193378862.db2.gz UWZIIYBSCGGRJD-SKDRFNHKSA-N 1 0 302.827 2.006 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000094549356 193378887 /nfs/dbraw/zinc/37/88/87/193378887.db2.gz DAQTWNXJLIMWGN-ZWNOBZJWSA-N 1 0 300.324 2.444 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2cc(F)ccc2Br)C1 ZINC000094548861 193378905 /nfs/dbraw/zinc/37/89/05/193378905.db2.gz AHJQGHRJKWYKHO-WCBMZHEXSA-N 1 0 315.186 2.398 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2nc3ccc(Cl)cc3s2)O1 ZINC000094562965 193380410 /nfs/dbraw/zinc/38/04/10/193380410.db2.gz PYPLTMBCSRGYJO-WPRPVWTQSA-N 1 0 311.794 2.395 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(Br)ccc1O ZINC000094573596 193381416 /nfs/dbraw/zinc/38/14/16/193381416.db2.gz IAGAVHZXZNKBQX-MRVPVSSYSA-N 1 0 301.184 2.339 10 0 DEAERO CC[N@@H+]1CCC[C@@H](Nc2nc3c(Br)cccn3n2)C1 ZINC000094603790 193383510 /nfs/dbraw/zinc/38/35/10/193383510.db2.gz NWBBNHBJFOQLIS-SNVBAGLBSA-N 1 0 324.226 2.388 10 0 DEAERO [NH3+]CC1(Nc2nc3c(Br)cccn3n2)CCCC1 ZINC000094608319 193384399 /nfs/dbraw/zinc/38/43/99/193384399.db2.gz UGNBSNVICHPAPT-UHFFFAOYSA-N 1 0 310.199 2.175 10 0 DEAERO [NH3+]C1CCC(Nc2nc3ccc(Br)cn3n2)CC1 ZINC000094609147 193384528 /nfs/dbraw/zinc/38/45/28/193384528.db2.gz OZZBVBWQQXYCTC-UHFFFAOYSA-N 1 0 310.199 2.174 10 0 DEAERO Clc1ccc2nc(N(CC3CC[NH2+]CC3)C3CC3)nn2c1 ZINC000094609270 193384545 /nfs/dbraw/zinc/38/45/45/193384545.db2.gz DLMZXTVVVDQLAW-UHFFFAOYSA-N 1 0 305.813 2.351 10 0 DEAERO C[C@H]1CC[C@H](C[NH3+])CN1c1nc2c(Br)cccn2n1 ZINC000094608469 193384860 /nfs/dbraw/zinc/38/48/60/193384860.db2.gz SEGVGHFAKDGGBM-VHSXEESVSA-N 1 0 324.226 2.055 10 0 DEAERO CCS(=O)(=O)CCCOc1ccc(F)cc1[C@@H](C)[NH2+]C ZINC000094619391 193385381 /nfs/dbraw/zinc/38/53/81/193385381.db2.gz RYCFLADAOSNGGH-LLVKDONJSA-N 1 0 303.399 2.310 10 0 DEAERO Cc1ccc([C@@H](C)NS(=O)(=O)C[C@@H]2CCC[NH2+]C2)cc1F ZINC000094962588 193409431 /nfs/dbraw/zinc/40/94/31/193409431.db2.gz SCEDXJGDUKEVDS-CHWSQXEVSA-N 1 0 314.426 2.114 10 0 DEAERO CCn1nc(C)c(Br)c1C[NH2+]CC1(C)COC1 ZINC000094722075 193393708 /nfs/dbraw/zinc/39/37/08/193393708.db2.gz WKZKDGIUEYRJBP-UHFFFAOYSA-N 1 0 302.216 2.100 10 0 DEAERO C[C@H]1C[NH2+]CCN1C(=O)c1c(F)cc(Br)cc1F ZINC000094716960 193394070 /nfs/dbraw/zinc/39/40/70/193394070.db2.gz ZHAAXTLGULPCED-ZETCQYMHSA-N 1 0 319.149 2.161 10 0 DEAERO C[C@]1(C[NH2+]Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CCCO1 ZINC000094801623 193399625 /nfs/dbraw/zinc/39/96/25/193399625.db2.gz HYOGOTBCZNNIER-OAHLLOKOSA-N 1 0 307.781 2.235 10 0 DEAERO CC1(C)CCN(S(=O)(=O)c2cc(Cl)cc(C[NH3+])c2F)C1 ZINC000094814856 193399751 /nfs/dbraw/zinc/39/97/51/193399751.db2.gz JEOSPJUORBAJNH-UHFFFAOYSA-N 1 0 320.817 2.358 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCC(C)(C)C2)cn1CC ZINC000094814865 193399836 /nfs/dbraw/zinc/39/98/36/193399836.db2.gz HKGCKSPWVUUQMG-UHFFFAOYSA-N 1 0 313.467 2.038 10 0 DEAERO CC/C=C1/c2cc(C3(CC[NH3+])OCCO3)ccc2N(C)C1=O ZINC000096586739 193681471 /nfs/dbraw/zinc/68/14/71/193681471.db2.gz GAIBCWAZESRKPE-PQMHYQBVSA-N 1 0 302.374 2.005 10 0 DEAERO O=C(Nc1ccc(Br)cc1)c1n[nH]c2c1C[NH2+]CC2 ZINC000082807319 284297161 /nfs/dbraw/zinc/29/71/61/284297161.db2.gz IQXHBHHKGQSRTA-UHFFFAOYSA-N 1 0 321.178 2.070 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000266230626 205201825 /nfs/dbraw/zinc/20/18/25/205201825.db2.gz UIBCFUCITYBEOB-CYBMUJFWSA-N 1 0 320.824 2.176 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000530237419 284382663 /nfs/dbraw/zinc/38/26/63/284382663.db2.gz VIKRKGAWQPBLGO-QBPKDAKJSA-N 1 0 303.402 2.407 10 0 DEAERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000019475646 182124694 /nfs/dbraw/zinc/12/46/94/182124694.db2.gz DAWFSECLBKZUHN-ZDUSSCGKSA-N 1 0 309.207 2.273 10 0 DEAERO COc1ccccc1N1CCN([C@H](C[NH3+])c2ccco2)CC1 ZINC000019795791 182151119 /nfs/dbraw/zinc/15/11/19/182151119.db2.gz QOPSQUZULYZSTN-OAHLLOKOSA-N 1 0 301.390 2.110 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000020014942 182178351 /nfs/dbraw/zinc/17/83/51/182178351.db2.gz DJFCDMXHZNYXAJ-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCSCC1 ZINC000020257083 182200428 /nfs/dbraw/zinc/20/04/28/182200428.db2.gz UXLABRDIVJMMIM-GFCCVEGCSA-N 1 0 301.253 2.498 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)C1CCC(F)(F)CC1 ZINC000154213263 291584284 /nfs/dbraw/zinc/58/42/84/291584284.db2.gz HAZQZAUXFMOUOG-UHFFFAOYSA-N 1 0 304.381 2.041 10 0 DEAERO CCOCCC[NH2+]Cc1ccccc1OCC(=O)NC(C)(C)C ZINC000020872402 182250850 /nfs/dbraw/zinc/25/08/50/182250850.db2.gz NDGRTPOJMKKSBZ-UHFFFAOYSA-N 1 0 322.449 2.496 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2C[C@@H](OC)C2(C)C)CC1 ZINC000530757753 284462106 /nfs/dbraw/zinc/46/21/06/284462106.db2.gz DUVJMIOULVWHAK-HUUCEWRRSA-N 1 0 311.470 2.221 10 0 DEAERO Cc1cc(CCNC(=O)NCCCCC[NH+]2CCCC2)on1 ZINC000454971792 246301348 /nfs/dbraw/zinc/30/13/48/246301348.db2.gz VFKWLBXJPDTFIB-UHFFFAOYSA-N 1 0 308.426 2.091 10 0 DEAERO C[C@H]1CN(C(=O)c2cccs2)C[C@H](C)N1CCC[NH+](C)C ZINC000036124676 182804381 /nfs/dbraw/zinc/80/43/81/182804381.db2.gz LUOAPUSSJJWWOX-KBPBESRZSA-N 1 0 309.479 2.235 10 0 DEAERO Cc1cc(C[C@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)[nH]n1 ZINC000458561514 248374941 /nfs/dbraw/zinc/37/49/41/248374941.db2.gz XMHBNNYIGTYWMM-LBPRGKRZSA-N 1 0 309.458 2.069 10 0 DEAERO c1cc(CN2CCOCC2)ccc1C[NH2+]C[C@H]1CCSC1 ZINC000486987319 248742826 /nfs/dbraw/zinc/74/28/26/248742826.db2.gz MJPOUCNCBGIHTP-QGZVFWFLSA-N 1 0 306.475 2.362 10 0 DEAERO CC[C@H](C)N1C(=O)C[C@@H]([NH2+][C@@H](C)c2sc(C)nc2C)C1=O ZINC000040518441 183089936 /nfs/dbraw/zinc/08/99/36/183089936.db2.gz ALAAHEZGTIGMOH-PTOFAABTSA-N 1 0 309.435 2.337 10 0 DEAERO Cc1ccc(-c2cc(C(=O)NCC(C)(C)[NH+](C)C)nn2C)cc1 ZINC000040654715 183114006 /nfs/dbraw/zinc/11/40/06/183114006.db2.gz PTKWNXUJNKCMTG-UHFFFAOYSA-N 1 0 314.433 2.466 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)NCCOC)c1ccc(OC)cc1 ZINC000040654256 183114423 /nfs/dbraw/zinc/11/44/23/183114423.db2.gz BQLKLNXHDXLUEB-MRXNPFEDSA-N 1 0 323.437 2.024 10 0 DEAERO COC(C)(C)C[C@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000074736048 284648424 /nfs/dbraw/zinc/64/84/24/284648424.db2.gz JZZTWGBBMVCZFD-AWEZNQCLSA-N 1 0 311.470 2.460 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634272 183111332 /nfs/dbraw/zinc/11/13/32/183111332.db2.gz SPAPNYLKJMOGKM-YPMHNXCESA-N 1 0 312.797 2.444 10 0 DEAERO Cc1sc2[nH]c(C[NH2+][C@H](CO)CC(C)C)nc(=O)c2c1C ZINC000040778210 183132208 /nfs/dbraw/zinc/13/22/08/183132208.db2.gz WSPSOIPVZOZVQM-NSHDSACASA-N 1 0 309.435 2.098 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000040777821 183132628 /nfs/dbraw/zinc/13/26/28/183132628.db2.gz BCHKWLYJZIVPSP-LSDHHAIUSA-N 1 0 315.841 2.214 10 0 DEAERO COC(=O)c1sc2ccccc2c1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000040833319 183139059 /nfs/dbraw/zinc/13/90/59/183139059.db2.gz XQUCIMVPTROKNP-JTQLQIEISA-N 1 0 304.371 2.378 10 0 DEAERO COC(=O)c1c(NC(=O)CC[NH2+]C2CC2)sc2c1CCC2 ZINC000040858899 183143211 /nfs/dbraw/zinc/14/32/11/183143211.db2.gz QAWIPVTWEUAWRY-UHFFFAOYSA-N 1 0 308.403 2.104 10 0 DEAERO CCOC(=O)COC[C@H]([NH3+])c1ccc(Br)s1 ZINC000041044555 183159481 /nfs/dbraw/zinc/15/94/81/183159481.db2.gz OJDCELDRMKGDPP-ZETCQYMHSA-N 1 0 308.197 2.090 10 0 DEAERO C[C@H](CC(=O)NCCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000041461174 183192636 /nfs/dbraw/zinc/19/26/36/183192636.db2.gz POCZQPVZUKYBLI-CYBMUJFWSA-N 1 0 306.406 2.019 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(C)cc(C)c1 ZINC000041604501 183209333 /nfs/dbraw/zinc/20/93/33/183209333.db2.gz OITHWCHMHUUQIY-CQSZACIVSA-N 1 0 305.422 2.088 10 0 DEAERO [NH3+]C[C@H]1CCCCN1C(=O)/C=C\c1ccc(Br)o1 ZINC000493636931 249346836 /nfs/dbraw/zinc/34/68/36/249346836.db2.gz ZYBBWBBQRQESJO-ONRRBMGISA-N 1 0 313.195 2.395 10 0 DEAERO COCCCN(CCOC)[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000042421004 183267778 /nfs/dbraw/zinc/26/77/78/183267778.db2.gz DXEHZPOVWSPIBF-CQSZACIVSA-N 1 0 318.820 2.464 10 0 DEAERO CC(C)[NH2+]C[C@@H](O)CN(C)Cc1cccc(Br)c1 ZINC000042440490 183270088 /nfs/dbraw/zinc/27/00/88/183270088.db2.gz GYEZEQOZEGHAQX-CQSZACIVSA-N 1 0 315.255 2.240 10 0 DEAERO COCCN(CCOC)c1cc(Br)ccc1C[NH3+] ZINC000042442834 183271423 /nfs/dbraw/zinc/27/14/23/183271423.db2.gz BWXSDURULJQOBE-UHFFFAOYSA-N 1 0 317.227 2.007 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)N(C)C ZINC000042945267 183319752 /nfs/dbraw/zinc/31/97/52/183319752.db2.gz YVUFUAKSUZBBDL-DFBGVHRSSA-N 1 0 309.841 2.281 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCC(O)CC1 ZINC000042952102 183320760 /nfs/dbraw/zinc/32/07/60/183320760.db2.gz NXLSTTVOUKVCBT-YGRLFVJLSA-N 1 0 313.239 2.294 10 0 DEAERO COc1ccc([C@@H](Sc2nnnn2C2CC2)[C@H](C)[NH3+])cc1 ZINC000042964645 183324430 /nfs/dbraw/zinc/32/44/30/183324430.db2.gz OQQGQJAJPMTSND-ZANVPECISA-N 1 0 305.407 2.197 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCS(=O)CC1 ZINC000043015655 183328022 /nfs/dbraw/zinc/32/80/22/183328022.db2.gz NBUFDNBGRTVMIK-ZIAGYGMSSA-N 1 0 300.855 2.183 10 0 DEAERO COCCN(C)[C@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043021235 183329793 /nfs/dbraw/zinc/32/97/93/183329793.db2.gz QBJUTIKQBFNLNR-GWCFXTLKSA-N 1 0 301.228 2.416 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cccs1)N1CCN(c2nccs2)CC1 ZINC000043102889 183338301 /nfs/dbraw/zinc/33/83/01/183338301.db2.gz MQXYXONKZSXHLG-DGCLKSJQSA-N 1 0 308.476 2.415 10 0 DEAERO CC[N@@H+]1CCC[C@H](Nc2nc3c(cc2C(N)=S)CCC3)C1 ZINC000043408859 183359778 /nfs/dbraw/zinc/35/97/78/183359778.db2.gz YBQYJXITAKKDRI-LBPRGKRZSA-N 1 0 304.463 2.101 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCC[C@@H]1C(=O)N(C)C ZINC000043240622 183346150 /nfs/dbraw/zinc/34/61/50/183346150.db2.gz NTLGGNCZQGRULR-GUTXKFCHSA-N 1 0 309.479 2.388 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1sccc1C)N1CCC[C@@H]1C(=O)N(C)C ZINC000043248011 183346751 /nfs/dbraw/zinc/34/67/51/183346751.db2.gz CKTDYXVTKLAENH-MGPQQGTHSA-N 1 0 309.479 2.388 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCN(C(C)=O)CC1 ZINC000043251974 183347036 /nfs/dbraw/zinc/34/70/36/183347036.db2.gz TZJQRBZTEUBRAO-BXUZGUMPSA-N 1 0 315.870 2.344 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1sccc1C)N(CCOC)CCOC ZINC000043248092 183347118 /nfs/dbraw/zinc/34/71/18/183347118.db2.gz FWHBSASCHWXFHS-KBPBESRZSA-N 1 0 300.468 2.430 10 0 DEAERO CCNC(=O)CN(CC)[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043253638 183347780 /nfs/dbraw/zinc/34/77/80/183347780.db2.gz OBYPZVGJGYDOAG-RNCFNFMXSA-N 1 0 303.859 2.248 10 0 DEAERO CC(C)NC(=O)CN(C)[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043254105 183347876 /nfs/dbraw/zinc/34/78/76/183347876.db2.gz XXGCYRJZVQQAAJ-RNCFNFMXSA-N 1 0 303.859 2.246 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCS(=O)CC1 ZINC000043253567 183347989 /nfs/dbraw/zinc/34/79/89/183347989.db2.gz GLSFXWAZRITGFY-CABZTGNLSA-N 1 0 306.884 2.244 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N(CCO)C1CC1 ZINC000043262755 183349159 /nfs/dbraw/zinc/34/91/59/183349159.db2.gz HHBKVKQXDBDIJW-PRHODGIISA-N 1 0 319.268 2.356 10 0 DEAERO C[NH2+][C@@H](c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300412 183352274 /nfs/dbraw/zinc/35/22/74/183352274.db2.gz HQXKFGXZUQWNFW-BXKDBHETSA-N 1 0 307.337 2.401 10 0 DEAERO C[NH2+][C@@H](c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000043300419 183352417 /nfs/dbraw/zinc/35/24/17/183352417.db2.gz MMIPAHJMZRJOBK-JOYOIKCWSA-N 1 0 318.236 2.144 10 0 DEAERO Ic1ccccc1N[C@@H]1CCC[NH2+]C1 ZINC000043325236 183354908 /nfs/dbraw/zinc/35/49/08/183354908.db2.gz JEFBRDCZJBNOOQ-SECBINFHSA-N 1 0 302.159 2.455 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCN(c2nccs2)CC1 ZINC000043334565 183356219 /nfs/dbraw/zinc/35/62/19/183356219.db2.gz ORLQLYRPQCKOFA-JSGCOSHPSA-N 1 0 306.435 2.337 10 0 DEAERO Cc1cc(OC[C@@H](O)C[NH2+]CC(C)(C)N(C)C)ccc1Cl ZINC000043411277 183360184 /nfs/dbraw/zinc/36/01/84/183360184.db2.gz SVQYBBZLXMFGCE-ZDUSSCGKSA-N 1 0 314.857 2.318 10 0 DEAERO C[NH2+][C@@H](CN(C)CC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000043900631 183389393 /nfs/dbraw/zinc/38/93/93/183389393.db2.gz FZZWYIWURDMRHR-NSHDSACASA-N 1 0 304.312 2.212 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(C)CC(F)(F)F)OCCO2 ZINC000043901611 183389419 /nfs/dbraw/zinc/38/94/19/183389419.db2.gz NIWUAOJVLRWGQK-VXGBXAGGSA-N 1 0 310.360 2.144 10 0 DEAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000284667048 218123638 /nfs/dbraw/zinc/12/36/38/218123638.db2.gz QSDMTXKOUOIDLQ-NWDGAFQWSA-N 1 0 320.216 2.454 10 0 DEAERO CCC(CC)NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000105071909 194068531 /nfs/dbraw/zinc/06/85/31/194068531.db2.gz ZFPUMRCQNOTZFC-IYBDPMFKSA-N 1 0 324.513 2.375 10 0 DEAERO CO[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000105107182 194074547 /nfs/dbraw/zinc/07/45/47/194074547.db2.gz NITRLJNEPCQKIJ-IAGOWNOFSA-N 1 0 317.433 2.254 10 0 DEAERO Cc1cccc(CCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000105214008 194084934 /nfs/dbraw/zinc/08/49/34/194084934.db2.gz WLKXCEZCVIGJLL-KRWDZBQOSA-N 1 0 301.434 2.417 10 0 DEAERO CC[NH+]1CCC(NC(=O)c2ccc3nc(N)sc3c2)CC1 ZINC000105739212 194123036 /nfs/dbraw/zinc/12/30/36/194123036.db2.gz WUBDMUXHGNJIAT-UHFFFAOYSA-N 1 0 304.419 2.093 10 0 DEAERO Cc1ncc(C[NH+]2CCC(N(C)c3cccnn3)CC2)s1 ZINC000105807273 194133053 /nfs/dbraw/zinc/13/30/53/194133053.db2.gz BMKWMDGXIZAIOB-UHFFFAOYSA-N 1 0 303.435 2.342 10 0 DEAERO CCOCCN1CC[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1CC ZINC000105838168 194144498 /nfs/dbraw/zinc/14/44/98/194144498.db2.gz UABCTPMNXYBCIV-RBUKOAKNSA-N 1 0 320.477 2.023 10 0 DEAERO CC[C@H]1CN(Cc2cccc(NC(C)=O)c2)CC[N@@H+]1CCOC ZINC000105837398 194144910 /nfs/dbraw/zinc/14/49/10/194144910.db2.gz NYLJAFDZPNKRGH-SFHVURJKSA-N 1 0 319.449 2.188 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 ZINC000105881303 194156350 /nfs/dbraw/zinc/15/63/50/194156350.db2.gz RKYRUBKPDPYUDK-JKSUJKDBSA-N 1 0 314.433 2.090 10 0 DEAERO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)C2)c1 ZINC000105899686 194165456 /nfs/dbraw/zinc/16/54/56/194165456.db2.gz SPUYTAJWFFNBDQ-INIZCTEOSA-N 1 0 306.454 2.474 10 0 DEAERO CCn1cnnc1C1CC[NH+](Cc2cc(C(=O)OC)co2)CC1 ZINC000105928537 194173187 /nfs/dbraw/zinc/17/31/87/194173187.db2.gz MILVUCZGTAXSIF-UHFFFAOYSA-N 1 0 318.377 2.057 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000106541545 194227435 /nfs/dbraw/zinc/22/74/35/194227435.db2.gz LYZGZCZJTQQDPV-ZIAGYGMSSA-N 1 0 305.426 2.131 10 0 DEAERO O=C1CCCN1C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000127987649 284791321 /nfs/dbraw/zinc/79/13/21/284791321.db2.gz PMDHFXMTWKQMIT-WBVHZDCISA-N 1 0 322.836 2.364 10 0 DEAERO Nc1cc(Cl)ccc1NC(=O)CCC[N@@H+]1CCC[C@@H]1CO ZINC000048859835 183692121 /nfs/dbraw/zinc/69/21/21/183692121.db2.gz WUETZWPAMHJMSD-GFCCVEGCSA-N 1 0 311.813 2.098 10 0 DEAERO CCCCC[C@@H](C)NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000049102243 183713411 /nfs/dbraw/zinc/71/34/11/183713411.db2.gz GNOFEGNIAWSWBW-LLVKDONJSA-N 1 0 304.481 2.496 10 0 DEAERO C[C@H]([NH3+])CCc1ccc(OCC(=O)NCC(F)(F)F)cc1 ZINC000049309515 183724848 /nfs/dbraw/zinc/72/48/48/183724848.db2.gz JMPWANNFRBUYSE-JTQLQIEISA-N 1 0 304.312 2.024 10 0 DEAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)Nc1ccc(Cl)c(F)c1 ZINC000049645435 183750927 /nfs/dbraw/zinc/75/09/27/183750927.db2.gz WKZYCWCKHDSDGO-VIFPVBQESA-N 1 0 306.790 2.220 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cccnc1Br ZINC000135532118 284808918 /nfs/dbraw/zinc/80/89/18/284808918.db2.gz RHHQRYCNJZJPRP-SNVBAGLBSA-N 1 0 314.227 2.304 10 0 DEAERO C[C@@H]([NH3+])c1cc(Cl)ccc1OCC(=O)NCC(F)(F)F ZINC000050209499 183777506 /nfs/dbraw/zinc/77/75/06/183777506.db2.gz JEPAYMLCHYDZTD-SSDOTTSWSA-N 1 0 310.703 2.417 10 0 DEAERO CCCNc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000050674954 183799325 /nfs/dbraw/zinc/79/93/25/183799325.db2.gz NXNYARGRPKQYAF-ZDUSSCGKSA-N 1 0 313.467 2.127 10 0 DEAERO NC(=S)C[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000109442817 194263235 /nfs/dbraw/zinc/26/32/35/194263235.db2.gz CITJWSHRDMNSHY-UHFFFAOYSA-N 1 0 317.380 2.109 10 0 DEAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000109461695 194265756 /nfs/dbraw/zinc/26/57/56/194265756.db2.gz OYESZEPMJVWQEC-CQSZACIVSA-N 1 0 311.495 2.166 10 0 DEAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000109461692 194266314 /nfs/dbraw/zinc/26/63/14/194266314.db2.gz OYESZEPMJVWQEC-AWEZNQCLSA-N 1 0 311.495 2.166 10 0 DEAERO C[C@@H](C(N)=S)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000109471117 194267460 /nfs/dbraw/zinc/26/74/60/194267460.db2.gz PRORYEFZHFUCML-LBPRGKRZSA-N 1 0 300.431 2.031 10 0 DEAERO C[C@H](c1noc(-c2cc(Cl)ccc2F)n1)N1CC[NH2+]CC1 ZINC000109473782 194267860 /nfs/dbraw/zinc/26/78/60/194267860.db2.gz NFMFBGRKWVHTNT-SECBINFHSA-N 1 0 310.760 2.495 10 0 DEAERO CCCc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000051574415 183830421 /nfs/dbraw/zinc/83/04/21/183830421.db2.gz DSHWRFVODAVWBC-DZGCQCFKSA-N 1 0 310.463 2.448 10 0 DEAERO CC(C)[NH2+]CCOCC(=O)Nc1ccc(Br)cc1 ZINC000051862939 183839745 /nfs/dbraw/zinc/83/97/45/183839745.db2.gz IFTRYKFQJQCNOO-UHFFFAOYSA-N 1 0 315.211 2.402 10 0 DEAERO COc1ccc(CC[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000109819563 194290433 /nfs/dbraw/zinc/29/04/33/194290433.db2.gz ZFISSENMVWLQLH-SFHVURJKSA-N 1 0 318.461 2.424 10 0 DEAERO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1CN1CCS(=O)CC1 ZINC000053873221 183915431 /nfs/dbraw/zinc/91/54/31/183915431.db2.gz SZFFCIZSUOTWQQ-OAGGEKHMSA-N 1 0 300.512 2.245 10 0 DEAERO COc1cc2nc(-c3sc(C[NH3+])nc3C)[nH]c2cc1OC ZINC000110790849 194359158 /nfs/dbraw/zinc/35/91/58/194359158.db2.gz RXMDWIPCGIOSDP-UHFFFAOYSA-N 1 0 304.375 2.471 10 0 DEAERO C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(N)=S)CC1 ZINC000110804595 194360308 /nfs/dbraw/zinc/36/03/08/194360308.db2.gz NXQKIJSJXINXGS-LBPRGKRZSA-N 1 0 305.447 2.381 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc2c(c1)NC(=O)CS2 ZINC000054307247 183933672 /nfs/dbraw/zinc/93/36/72/183933672.db2.gz IVGIGWPBLRWFJQ-SNVBAGLBSA-N 1 0 305.403 2.059 10 0 DEAERO CN(C(=O)c1ccc(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000110927510 194370414 /nfs/dbraw/zinc/37/04/14/194370414.db2.gz NYSUJBQNBWCJGQ-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO CCCN[C@](C)(CCC[N@H+](CC)CCOCC)C(=O)OC ZINC000111122034 194391797 /nfs/dbraw/zinc/39/17/97/194391797.db2.gz OBBINRXHTSLAPM-MRXNPFEDSA-N 1 0 302.459 2.056 10 0 DEAERO Cc1sc2nc(CN(C)CCC[NH+](C)C)nc(N)c2c1C ZINC000111146272 194395626 /nfs/dbraw/zinc/39/56/26/194395626.db2.gz AIBJSTKYKONFOM-UHFFFAOYSA-N 1 0 307.467 2.274 10 0 DEAERO O=c1[nH]c(C[NH2+]CC2CCOCC2)nc2cc(Cl)ccc21 ZINC000111162733 194397182 /nfs/dbraw/zinc/39/71/82/194397182.db2.gz JFEIDNOPBISMIQ-UHFFFAOYSA-N 1 0 307.781 2.093 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)N1CCc2sccc2[C@H]1C1CC1 ZINC000159304891 197344044 /nfs/dbraw/zinc/34/40/44/197344044.db2.gz PQVPJUIFZQQFKN-UKRRQHHQSA-N 1 0 308.447 2.338 10 0 DEAERO Cc1ccc(OCc2nc3c(c(N4CC[NH2+]CC4)n2)CCC3)cc1 ZINC000057328739 184033504 /nfs/dbraw/zinc/03/35/04/184033504.db2.gz UMWWUBRSQHRUHY-UHFFFAOYSA-N 1 0 324.428 2.262 10 0 DEAERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)NC(=O)NC2CC2)cc1 ZINC000057880051 184060576 /nfs/dbraw/zinc/06/05/76/184060576.db2.gz VMDLMTIATAPBAG-LBPRGKRZSA-N 1 0 303.406 2.449 10 0 DEAERO COc1cc(C[NH2+]CCc2nccs2)cc2c1OCCO2 ZINC000060230224 184145722 /nfs/dbraw/zinc/14/57/22/184145722.db2.gz FGBOPDVKCJQDKJ-UHFFFAOYSA-N 1 0 306.387 2.255 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000061230580 184166955 /nfs/dbraw/zinc/16/69/55/184166955.db2.gz AVFBNSSNIPKKQE-JTQLQIEISA-N 1 0 311.813 2.226 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000061270166 184167306 /nfs/dbraw/zinc/16/73/06/184167306.db2.gz BHEVNYBAVXCJPM-SRVKXCTJSA-N 1 0 310.360 2.381 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000061265845 184167388 /nfs/dbraw/zinc/16/73/88/184167388.db2.gz SABROQICOLXAPR-WFASDCNBSA-N 1 0 310.825 2.486 10 0 DEAERO O=C(c1ccc(Br)cn1)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000061864080 184190730 /nfs/dbraw/zinc/19/07/30/184190730.db2.gz BJTMCLYVEHQUCD-AAEUAGOBSA-N 1 0 324.222 2.201 10 0 DEAERO CCCN(CC[NH+](C)C)c1nc(Cl)nc(OC(C)C)n1 ZINC000061541612 184174335 /nfs/dbraw/zinc/17/43/35/184174335.db2.gz MURBGLIRROKJIC-UHFFFAOYSA-N 1 0 301.822 2.090 10 0 DEAERO COc1ccc(NS(=O)(=O)c2ccccc2C[NH3+])c(C)c1 ZINC000061567686 184175087 /nfs/dbraw/zinc/17/50/87/184175087.db2.gz QENMYXKSFPGLBN-UHFFFAOYSA-N 1 0 306.387 2.263 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1ccc(F)cc1 ZINC000061594191 184175993 /nfs/dbraw/zinc/17/59/93/184175993.db2.gz WVNDWYHDWZVPEV-NEPJUHHUSA-N 1 0 310.398 2.301 10 0 DEAERO CCn1c(S[C@H](c2cccc(Cl)c2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594443 184176151 /nfs/dbraw/zinc/17/61/51/184176151.db2.gz FOJVBISFTKZYEZ-KCJUWKMLSA-N 1 0 312.826 2.425 10 0 DEAERO CC(C)n1c(S[C@H](c2ccc(F)cc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595220 184176394 /nfs/dbraw/zinc/17/63/94/184176394.db2.gz HAEBHKBIGXTFHJ-SKDRFNHKSA-N 1 0 310.398 2.472 10 0 DEAERO CC(=O)Nc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)ccc1F ZINC000061604057 184177251 /nfs/dbraw/zinc/17/72/51/184177251.db2.gz FBTBYQREGQJBJM-UHFFFAOYSA-N 1 0 319.380 2.094 10 0 DEAERO COC(=O)c1sccc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612680 184178761 /nfs/dbraw/zinc/17/87/61/184178761.db2.gz SREKSCSCXUZKHD-LLVKDONJSA-N 1 0 304.371 2.216 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000061702777 184184474 /nfs/dbraw/zinc/18/44/74/184184474.db2.gz CWAYMKUNVCMEBI-MRXNPFEDSA-N 1 0 305.399 2.430 10 0 DEAERO CC(C)(CC(N)=O)C[C@@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000061825499 184188874 /nfs/dbraw/zinc/18/88/74/184188874.db2.gz WILSVEQOGTWEMT-LLVKDONJSA-N 1 0 309.797 2.126 10 0 DEAERO Nc1cc(NC(=O)CCC[N@@H+]2CCCOCC2)ccc1Cl ZINC000061913792 184195064 /nfs/dbraw/zinc/19/50/64/184195064.db2.gz KQVOHOKSTSYYNT-UHFFFAOYSA-N 1 0 311.813 2.363 10 0 DEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc(Br)o2)CCCO1 ZINC000061916361 184195304 /nfs/dbraw/zinc/19/53/04/184195304.db2.gz MMXVEGGDCFUWNF-UWVGGRQHSA-N 1 0 303.200 2.153 10 0 DEAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941234 184197185 /nfs/dbraw/zinc/19/71/85/184197185.db2.gz FPVMVBLUPYDCFU-MJBXVCDLSA-N 1 0 307.404 2.333 10 0 DEAERO CN(c1cccc(C[NH3+])c1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000061950490 184198535 /nfs/dbraw/zinc/19/85/35/184198535.db2.gz HIVSQGXDJXUQQQ-UHFFFAOYSA-N 1 0 312.341 2.249 10 0 DEAERO NC(=S)c1cc2c(nc1NCCC[NH+]1CCCC1)CCC2 ZINC000062080463 184204846 /nfs/dbraw/zinc/20/48/46/184204846.db2.gz KYILXFSIBDGLNY-UHFFFAOYSA-N 1 0 304.463 2.102 10 0 DEAERO CCc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+](CC)CC)cc1 ZINC000062110984 184206309 /nfs/dbraw/zinc/20/63/09/184206309.db2.gz PXHUEOAXSMTFIY-ZDUSSCGKSA-N 1 0 305.422 2.034 10 0 DEAERO CC(C)(C)N1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc(Br)o1 ZINC000062210196 184220847 /nfs/dbraw/zinc/22/08/47/184220847.db2.gz NDBAJMCSMUVBKY-WRWORJQWSA-N 1 0 301.184 2.441 10 0 DEAERO COCCN1C(=O)CC[C@H]([NH3+])[C@@H]1c1c(F)cccc1Cl ZINC000062213717 184222076 /nfs/dbraw/zinc/22/20/76/184222076.db2.gz GPFIHYJXOHVICC-SMDDNHRTSA-N 1 0 300.761 2.116 10 0 DEAERO COCC[NH+]1[C@H](C)CN(C(=O)CCc2ccc(F)cc2)C[C@H]1C ZINC000062452423 184236492 /nfs/dbraw/zinc/23/64/92/184236492.db2.gz BXHWHYHLFRJYJD-HUUCEWRRSA-N 1 0 322.424 2.326 10 0 DEAERO C[NH2+]Cc1ccc(O[C@H](C)C(=O)OC)c(Br)c1 ZINC000062700740 184247748 /nfs/dbraw/zinc/24/77/48/184247748.db2.gz ZNKFVKYUYQAMGT-MRVPVSSYSA-N 1 0 302.168 2.109 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])c(C)s1 ZINC000063213377 184278355 /nfs/dbraw/zinc/27/83/55/184278355.db2.gz PZSHTXLLDHEBBE-NWDGAFQWSA-N 1 0 302.465 2.303 10 0 DEAERO C[NH+](C)[C@@H]1CCN(CC(=O)c2sccc2Br)C1 ZINC000062966752 184263030 /nfs/dbraw/zinc/26/30/30/184263030.db2.gz HYNLCCDGVTZLEF-SECBINFHSA-N 1 0 317.252 2.329 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(Cc2nc3sccc3c(N)n2)C1 ZINC000062969447 184263343 /nfs/dbraw/zinc/26/33/43/184263343.db2.gz PKJYMBWBNZNMAM-LLVKDONJSA-N 1 0 305.451 2.190 10 0 DEAERO NC(=S)c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000062980102 184264345 /nfs/dbraw/zinc/26/43/45/184264345.db2.gz VRVUWCBEHMZZBB-AWEZNQCLSA-N 1 0 307.438 2.130 10 0 DEAERO CC[NH2+]C[C@@H](CCCS(C)(=O)=O)Cc1ccc(F)cc1 ZINC000063018216 184267356 /nfs/dbraw/zinc/26/73/56/184267356.db2.gz UACWCNXQTPFSOD-AWEZNQCLSA-N 1 0 301.427 2.419 10 0 DEAERO Brc1cncc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000063084514 184269861 /nfs/dbraw/zinc/26/98/61/184269861.db2.gz BDMFHIDOBIUXID-VIFPVBQESA-N 1 0 323.194 2.436 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1F ZINC000063172364 184276116 /nfs/dbraw/zinc/27/61/16/184276116.db2.gz DPXSCPWPDLDQRT-MNOVXSKESA-N 1 0 301.159 2.198 10 0 DEAERO CC(=O)Nc1cc(C(=O)N2CCC([NH+](C)C)CC2)ccc1C ZINC000063734854 184287575 /nfs/dbraw/zinc/28/75/75/184287575.db2.gz OMMYIIJMGKLANG-UHFFFAOYSA-N 1 0 303.406 2.120 10 0 DEAERO COC[C@@H](C)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000189807119 335045615 /nfs/dbraw/zinc/04/56/15/335045615.db2.gz ZGMWGBCJVZLVJQ-HNNXBMFYSA-N 1 0 322.424 2.185 10 0 DEAERO [NH3+][C@@H]1CC(=O)N(c2ccccc2OCCOc2ccccc2)C1 ZINC000066055710 184385843 /nfs/dbraw/zinc/38/58/43/184385843.db2.gz CKIVXBPAPCDVCJ-CQSZACIVSA-N 1 0 312.369 2.208 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccccc2)CC1 ZINC000112712128 194509320 /nfs/dbraw/zinc/50/93/20/194509320.db2.gz SBLYMIOEPXKWOX-CQSZACIVSA-N 1 0 305.422 2.243 10 0 DEAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](S(=O)(=O)C2CCOCC2)C1 ZINC000068609706 184493691 /nfs/dbraw/zinc/49/36/91/184493691.db2.gz CRIWRHHQLMQLLH-VNHYZAJKSA-N 1 0 303.468 2.124 10 0 DEAERO CCC[NH2+]Cc1ccc(OC)cc1OC[C@@H](O)C(F)(F)F ZINC000068877044 184498487 /nfs/dbraw/zinc/49/84/87/184498487.db2.gz JTALRWQBGLLCNF-CYBMUJFWSA-N 1 0 307.312 2.497 10 0 DEAERO CC[C@H]1CN(C(=O)c2cc(C)c(F)c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000119661392 195012832 /nfs/dbraw/zinc/01/28/32/195012832.db2.gz KCFKTRABKGSHOW-ZBFHGGJFSA-N 1 0 322.424 2.360 10 0 DEAERO Cc1c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cnn1CC(C)C ZINC000119799355 195039164 /nfs/dbraw/zinc/03/91/64/195039164.db2.gz ZHUGJWAPEPIQQR-BBRMVZONSA-N 1 0 306.454 2.306 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000119738599 195027678 /nfs/dbraw/zinc/02/76/78/195027678.db2.gz YBWISXNQGNOUCZ-ZBFHGGJFSA-N 1 0 317.433 2.122 10 0 DEAERO OC1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CCOCC1 ZINC000269974276 208026536 /nfs/dbraw/zinc/02/65/36/208026536.db2.gz PCETTZBDCWPEAQ-NVXWUHKLSA-N 1 0 305.418 2.285 10 0 DEAERO CN(C)[C@@H](C(=O)N(C)CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000539417130 285076899 /nfs/dbraw/zinc/07/68/99/285076899.db2.gz AMORSSDUNWIMJJ-OAHLLOKOSA-N 1 0 311.857 2.353 10 0 DEAERO CCOc1ccc2[nH]c(SC[C@H]([NH3+])[C@H]3CCOC3)nc2c1 ZINC000159210950 197336121 /nfs/dbraw/zinc/33/61/21/197336121.db2.gz XZIZBULESYSEFP-JQWIXIFHSA-N 1 0 307.419 2.418 10 0 DEAERO CC[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1C1CCS(=O)CC1 ZINC000159195607 197334692 /nfs/dbraw/zinc/33/46/92/197334692.db2.gz RWFRRTJKZAFQBW-HRXNXTQESA-N 1 0 306.475 2.323 10 0 DEAERO CC(C)Oc1nc(Nc2cc(Cl)ccc2F)nc(NN)[nH+]1 ZINC000159119734 197329249 /nfs/dbraw/zinc/32/92/49/197329249.db2.gz DSTPRLRVGOGUFC-UHFFFAOYSA-N 1 0 312.736 2.481 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000159069464 197325008 /nfs/dbraw/zinc/32/50/08/197325008.db2.gz DKOPJLWTCNGGLV-ZDUSSCGKSA-N 1 0 311.451 2.171 10 0 DEAERO CCC[C@H]([NH3+])C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000158935557 197312354 /nfs/dbraw/zinc/31/23/54/197312354.db2.gz HWLCBDVBLJGJIS-NSHDSACASA-N 1 0 308.382 2.334 10 0 DEAERO O=C(Nc1nnc(Cc2ccc(F)cc2)s1)[C@H]1CCC[NH2+]C1 ZINC000158935967 197312005 /nfs/dbraw/zinc/31/20/05/197312005.db2.gz BELULZCKCLYEGA-NSHDSACASA-N 1 0 320.393 2.206 10 0 DEAERO CCC[NH2+][C@@H](C)c1cccc(NC(=O)NCC[S@](C)=O)c1 ZINC000159016102 197318819 /nfs/dbraw/zinc/31/88/19/197318819.db2.gz DZMXDHCDXBPKHS-LAJNKCICSA-N 1 0 311.451 2.247 10 0 DEAERO C[C@@H]([NH3+])Cc1ccc(Sc2nnc3n2CCCCC3)nc1 ZINC000158957818 197313886 /nfs/dbraw/zinc/31/38/86/197313886.db2.gz YVOBVZMCLVOYLS-LLVKDONJSA-N 1 0 303.435 2.440 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(OC)c(Br)c1)c1cnn[nH]1 ZINC000158875863 197308802 /nfs/dbraw/zinc/30/88/02/197308802.db2.gz RAVXMYOJXZFHJN-JTQLQIEISA-N 1 0 311.183 2.079 10 0 DEAERO CNc1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000158882848 197308144 /nfs/dbraw/zinc/30/81/44/197308144.db2.gz HXIPZZQRHYLASO-GHMZBOCLSA-N 1 0 308.813 2.133 10 0 DEAERO C[C@H](C[NH3+])CC(=O)NCc1cc(Br)ccc1F ZINC000158786128 197300944 /nfs/dbraw/zinc/30/09/44/197300944.db2.gz IUFMWSPAFPLMLO-QMMMGPOBSA-N 1 0 303.175 2.189 10 0 DEAERO C[NH+](C)CC(C)(C)CNC(=O)c1ncsc1Br ZINC000288662150 220330664 /nfs/dbraw/zinc/33/06/64/220330664.db2.gz OZGCOUOWILEWQB-UHFFFAOYSA-N 1 0 320.256 2.223 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])c2cscn2)c1Br ZINC000158539277 197281865 /nfs/dbraw/zinc/28/18/65/197281865.db2.gz SDSWOFMUJHZALK-SSDOTTSWSA-N 1 0 315.240 2.444 10 0 DEAERO COc1cnn(C)c1[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000158398381 197268977 /nfs/dbraw/zinc/26/89/77/197268977.db2.gz VDFBYHZYBQCRDN-NSHDSACASA-N 1 0 310.195 2.434 10 0 DEAERO COC(=O)c1cc(NC(=O)[C@H]([NH3+])C(C)(C)C)c(F)cc1F ZINC000158260435 197257583 /nfs/dbraw/zinc/25/75/83/197257583.db2.gz MFDPNWRINNYAJT-NSHDSACASA-N 1 0 300.305 2.063 10 0 DEAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)Nc3ccccc3)[C@@H]2C1 ZINC000158036740 197237716 /nfs/dbraw/zinc/23/77/16/197237716.db2.gz PNQWLVIAPAPPBO-BRWVUGGUSA-N 1 0 318.417 2.284 10 0 DEAERO C[C@@H](CCO)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000157986359 197233416 /nfs/dbraw/zinc/23/34/16/197233416.db2.gz UFSXISJHSOQMLR-DOTOQJQBSA-N 1 0 319.449 2.111 10 0 DEAERO COCC[NH2+]C[C@](C)(O)Cc1cccc(F)c1Br ZINC000157870173 197222847 /nfs/dbraw/zinc/22/28/47/197222847.db2.gz NGBPSNTUOZVGAP-CYBMUJFWSA-N 1 0 320.202 2.118 10 0 DEAERO CC[C@](C)([C@H](O)c1c(Br)cnn1C)[NH+]1CCCC1 ZINC000157632012 197203571 /nfs/dbraw/zinc/20/35/71/197203571.db2.gz SDQYLOMSJZSENV-CHWSQXEVSA-N 1 0 316.243 2.481 10 0 DEAERO CC[C@H](C(=O)N[C@@H](C)c1ccccc1-n1cccn1)[NH+](C)C ZINC000157468985 197189991 /nfs/dbraw/zinc/18/99/91/197189991.db2.gz RUJUVMUXEHDGQO-DZGCQCFKSA-N 1 0 300.406 2.390 10 0 DEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](C)CCOCC)C(=O)OCC ZINC000157474171 197189848 /nfs/dbraw/zinc/18/98/48/197189848.db2.gz OWVMEWMTOGJCAC-GDBMZVCRSA-N 1 0 302.459 2.055 10 0 DEAERO CCCN[C@@](C)(C[C@H](C)[N@H+](C)CCOC(C)C)C(=O)OC ZINC000157519525 197193072 /nfs/dbraw/zinc/19/30/72/197193072.db2.gz LYSJRTPJOGAICI-HOCLYGCPSA-N 1 0 302.459 2.053 10 0 DEAERO CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000157438740 197186882 /nfs/dbraw/zinc/18/68/82/197186882.db2.gz PVJHNUIRUUNZJV-HIFRSBDPSA-N 1 0 300.406 2.423 10 0 DEAERO O=C(NCC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1Br ZINC000157403895 197184237 /nfs/dbraw/zinc/18/42/37/197184237.db2.gz FJFJZWPACVRNEC-JTQLQIEISA-N 1 0 315.186 2.460 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000157288796 197177443 /nfs/dbraw/zinc/17/74/43/197177443.db2.gz ABIIFCIQCCQKHZ-DZGCQCFKSA-N 1 0 305.422 2.192 10 0 DEAERO CCCNc1nnc(C(=O)NCCCC[N@H+](C)C(C)C)s1 ZINC000157345391 197181210 /nfs/dbraw/zinc/18/12/10/197181210.db2.gz BPTZSHUKFSYADJ-UHFFFAOYSA-N 1 0 313.471 2.210 10 0 DEAERO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO)c1 ZINC000157177745 197168555 /nfs/dbraw/zinc/16/85/55/197168555.db2.gz YUMSKZYPDIIGOC-AVGNSLFASA-N 1 0 324.421 2.027 10 0 DEAERO COc1ccc2[nH]c(=S)n(C[C@@H]3CC[N@@H+](C(C)C)C3)c2n1 ZINC000157044522 197158083 /nfs/dbraw/zinc/15/80/83/197158083.db2.gz YFFUXCZIFHMAGF-LLVKDONJSA-N 1 0 306.435 2.459 10 0 DEAERO Cc1cc2sc(C(=O)N3CCC[C@H]([NH3+])C3)c(N)c2c(C)n1 ZINC000157011276 197155622 /nfs/dbraw/zinc/15/56/22/197155622.db2.gz DQOWKCNXORDXMH-JTQLQIEISA-N 1 0 304.419 2.059 10 0 DEAERO CCO[C@H]1C[C@]([NH3+])(C(=O)N(CC(F)(F)F)C(C)C)C1(C)C ZINC000156952738 197152692 /nfs/dbraw/zinc/15/26/92/197152692.db2.gz VHQOOYWREBVNMS-GWCFXTLKSA-N 1 0 310.360 2.318 10 0 DEAERO Cc1nn(C)c(C)c1CNc1cc(C)[nH+]c(C)c1C(N)=S ZINC000156697156 197134247 /nfs/dbraw/zinc/13/42/47/197134247.db2.gz WJTSCEBDVKJCND-UHFFFAOYSA-N 1 0 303.435 2.295 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1F ZINC000156805656 197141914 /nfs/dbraw/zinc/14/19/14/197141914.db2.gz QHOTWRVZYUSHBI-DZGCQCFKSA-N 1 0 323.412 2.167 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1CNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000156697722 197134099 /nfs/dbraw/zinc/13/40/99/197134099.db2.gz BUXKMHHYFIFWAO-PWSUYJOCSA-N 1 0 302.296 2.442 10 0 DEAERO CCSCC[C@H](C)Nc1nc(NN)[nH+]cc1Br ZINC000156687501 197132967 /nfs/dbraw/zinc/13/29/67/197132967.db2.gz KCFFXVNPHDEZHQ-ZETCQYMHSA-N 1 0 320.260 2.468 10 0 DEAERO Cc1cc(Oc2ccc(S(C)(=O)=O)cc2)c(C[NH3+])c(C)n1 ZINC000156507701 197118984 /nfs/dbraw/zinc/11/89/84/197118984.db2.gz ILLHMCDCOZFHFT-UHFFFAOYSA-N 1 0 306.387 2.353 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)Nn2cnc3ccccc32)[C@@H](C)C1 ZINC000156364958 197108103 /nfs/dbraw/zinc/10/81/03/197108103.db2.gz MJKBJNSTVRFQIR-JSGCOSHPSA-N 1 0 301.394 2.018 10 0 DEAERO CCC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1(C)CC1 ZINC000156263884 197099579 /nfs/dbraw/zinc/09/95/79/197099579.db2.gz MCRGPMTUYSIFCH-UONOGXRCSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CCN1c1ccc(C(F)(F)F)cc1C(N)=O ZINC000156246134 197097855 /nfs/dbraw/zinc/09/78/55/197097855.db2.gz NPGJLXCVTQXSLE-WCBMZHEXSA-N 1 0 301.312 2.120 10 0 DEAERO CN(C[C@H]1CC=CCC1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000542264036 285215856 /nfs/dbraw/zinc/21/58/56/285215856.db2.gz VGTYFBZTXYRNGY-KRWDZBQOSA-N 1 0 322.497 2.012 10 0 DEAERO Cc1cccc([S@](=O)CC(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000156023886 197081958 /nfs/dbraw/zinc/08/19/58/197081958.db2.gz MVSVOVQYGVJZQI-NRFANRHFSA-N 1 0 302.399 2.200 10 0 DEAERO Cc1ccccc1[S@@](=O)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000156013692 197080978 /nfs/dbraw/zinc/08/09/78/197080978.db2.gz BVFQKJAJDXLWLN-OAQYLSRUSA-N 1 0 302.399 2.200 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1Br ZINC000156003906 197079982 /nfs/dbraw/zinc/07/99/82/197079982.db2.gz MAVSUSQDNRPOJP-KCJUWKMLSA-N 1 0 315.186 2.445 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[S@](=O)c1cccs1 ZINC000155968192 197077074 /nfs/dbraw/zinc/07/70/74/197077074.db2.gz JMBNHIRANBBSFH-WVDJIFEKSA-N 1 0 308.428 2.342 10 0 DEAERO CC(C)C(=O)Nc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1 ZINC000155617474 197072119 /nfs/dbraw/zinc/07/21/19/197072119.db2.gz GJXDQPHHBRGWQR-OKILXGFUSA-N 1 0 317.433 2.446 10 0 DEAERO CC(C)[C@H](O)CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000155613597 197071698 /nfs/dbraw/zinc/07/16/98/197071698.db2.gz UJSMWAJILMFDHM-QGZVFWFLSA-N 1 0 304.434 2.306 10 0 DEAERO CCOc1ccc(OCC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155421570 197052864 /nfs/dbraw/zinc/05/28/64/197052864.db2.gz CRSPZHOJWWZJCA-WMLDXEAASA-N 1 0 320.433 2.309 10 0 DEAERO Cc1cc2c(cc1C)O[C@H](C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C)C2 ZINC000155306045 197041995 /nfs/dbraw/zinc/04/19/95/197041995.db2.gz WEOTUPAZWPOMJE-VBQJREDUSA-N 1 0 302.418 2.158 10 0 DEAERO CCc1cccc(CC)c1NC(=O)C[N@H+](C)CCCC(=O)NC ZINC000155286778 197040511 /nfs/dbraw/zinc/04/05/11/197040511.db2.gz DZAHLUOFCKXUSR-UHFFFAOYSA-N 1 0 319.449 2.208 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000155100693 197021765 /nfs/dbraw/zinc/02/17/65/197021765.db2.gz XNXJCDOGFHSOIV-IUODEOHRSA-N 1 0 304.438 2.217 10 0 DEAERO OC1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CCOCC1 ZINC000269974278 285239119 /nfs/dbraw/zinc/23/91/19/285239119.db2.gz PCETTZBDCWPEAQ-RDJZCZTQSA-N 1 0 305.418 2.285 10 0 DEAERO COc1cc(OC)c(NC(=O)N(C)CCC[NH+](C)C)cc1F ZINC000542665686 285242048 /nfs/dbraw/zinc/24/20/48/285242048.db2.gz PIWISPHMDCYISO-UHFFFAOYSA-N 1 0 313.373 2.258 10 0 DEAERO COC[C@@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000542741381 285246360 /nfs/dbraw/zinc/24/63/60/285246360.db2.gz VQJBJJXGPSBJSD-OAHLLOKOSA-N 1 0 311.401 2.106 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000120495016 195177220 /nfs/dbraw/zinc/17/72/20/195177220.db2.gz AVMKDGWCMDJIGB-GDBMZVCRSA-N 1 0 317.433 2.183 10 0 DEAERO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170695337 296424353 /nfs/dbraw/zinc/42/43/53/296424353.db2.gz MQIUNHKRKMEVBI-BRWVUGGUSA-N 1 0 307.482 2.336 10 0 DEAERO Cc1ccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)cc1C ZINC000120497997 195178582 /nfs/dbraw/zinc/17/85/82/195178582.db2.gz FHLNQLPOIXASFI-UHFFFAOYSA-N 1 0 322.416 2.063 10 0 DEAERO COCC[N@@H+]1CCN(CC2=Cc3ccccc3OC2)C[C@@H]1C ZINC000120819128 195244449 /nfs/dbraw/zinc/24/44/49/195244449.db2.gz FJSZPBOWNRPPMQ-HNNXBMFYSA-N 1 0 302.418 2.115 10 0 DEAERO Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1F ZINC000120786453 195237914 /nfs/dbraw/zinc/23/79/14/195237914.db2.gz UGMWBGUJTLVFEV-OLZOCXBDSA-N 1 0 321.396 2.014 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000543637968 285299912 /nfs/dbraw/zinc/29/99/12/285299912.db2.gz RIKLLOQMKITVBZ-GJZGRUSLSA-N 1 0 309.454 2.141 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N(C)CCC[NH+](C)C)[C@H](C)[C@H]1OC ZINC000543683304 285302492 /nfs/dbraw/zinc/30/24/92/285302492.db2.gz IJJZJSZIKJTOKO-RRFJBIMHSA-N 1 0 313.486 2.419 10 0 DEAERO Cn1nccc1CCC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000120912039 195263467 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CCOCC[N@@H+]1CCN(C(=O)C[C@@H](C)SC)C[C@@H]1CC ZINC000121863211 195363524 /nfs/dbraw/zinc/36/35/24/195363524.db2.gz XLJMVBBESTYWRU-KGLIPLIRSA-N 1 0 302.484 2.087 10 0 DEAERO C[C@H]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000122021804 195390185 /nfs/dbraw/zinc/39/01/85/195390185.db2.gz GWPBOVMLBYQMHB-WMLDXEAASA-N 1 0 302.418 2.335 10 0 DEAERO CC[NH+]1CCN(CCC(=O)Nc2ccc3oc(C)nc3c2)CC1 ZINC000122055449 195395849 /nfs/dbraw/zinc/39/58/49/195395849.db2.gz DAFKXANTGBNTIA-UHFFFAOYSA-N 1 0 316.405 2.102 10 0 DEAERO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cccc2ccccc21 ZINC000122207529 195419118 /nfs/dbraw/zinc/41/91/18/195419118.db2.gz GPZUATWCJRFNCC-HNNXBMFYSA-N 1 0 304.415 2.198 10 0 DEAERO O=S(=O)(NCC1CC[NH2+]CC1)c1cccc2ccccc21 ZINC000122916792 195520843 /nfs/dbraw/zinc/52/08/43/195520843.db2.gz PTHMCNGWNIINLJ-UHFFFAOYSA-N 1 0 304.415 2.118 10 0 DEAERO CCN(CCCO)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000124409525 195638731 /nfs/dbraw/zinc/63/87/31/195638731.db2.gz DEAIFWDOUJNBIV-VIFPVBQESA-N 1 0 307.257 2.215 10 0 DEAERO Cc1nnc(Sc2cc(Br)ccc2C(N)=[NH2+])[nH]1 ZINC000124410651 195639016 /nfs/dbraw/zinc/63/90/16/195639016.db2.gz YQWCCGTYNWNZBG-UHFFFAOYSA-N 1 0 312.196 2.311 10 0 DEAERO COC(=O)c1c(NC(=O)CC[C@H](C)C[NH3+])sc2c1CCC2 ZINC000124862553 195687879 /nfs/dbraw/zinc/68/78/79/195687879.db2.gz JEZIEOBVOUHTEI-VIFPVBQESA-N 1 0 310.419 2.337 10 0 DEAERO Cc1cc(N2CCN(c3nccs3)CC2)ccc1C(N)=[NH2+] ZINC000126380141 195834771 /nfs/dbraw/zinc/83/47/71/195834771.db2.gz VACHFBRRDXDYRS-UHFFFAOYSA-N 1 0 301.419 2.062 10 0 DEAERO O=C(NC[C@@H]1CCCS1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000127203109 195857294 /nfs/dbraw/zinc/85/72/94/195857294.db2.gz BAOAHTMLJMOEIT-HNNXBMFYSA-N 1 0 311.495 2.399 10 0 DEAERO COC[C@@]1(C2CC2)C[NH+]=C(N)N1c1ccccc1Br ZINC000127269823 195862636 /nfs/dbraw/zinc/86/26/36/195862636.db2.gz DETLACYNQTXNIY-CQSZACIVSA-N 1 0 324.222 2.379 10 0 DEAERO CCOC[C@](C)([NH3+])Cc1c(Br)c(C)nn1CC ZINC000127509741 195884076 /nfs/dbraw/zinc/88/40/76/195884076.db2.gz OAOICPBSFAPKMI-GFCCVEGCSA-N 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CC(C)CC(=O)Nc1ncc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725273007 542771006 /nfs/dbraw/zinc/77/10/06/542771006.db2.gz XDKQFWKXAYEYBX-WCQYABFASA-N 1 0 310.467 2.297 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)nn(C)c2C)C[C@@H]1C ZINC000357814868 133101872 /nfs/dbraw/zinc/10/18/72/133101872.db2.gz CYCYMCMILPLMKN-SMDDNHRTSA-N 1 0 307.442 2.373 10 0 DEAERO C[C@@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)c1ccsc1 ZINC000358144064 133124023 /nfs/dbraw/zinc/12/40/23/133124023.db2.gz VKEYMGCPAUISOT-CQSZACIVSA-N 1 0 321.490 2.343 10 0 DEAERO COc1cccc(CN(C)C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000358169525 133125807 /nfs/dbraw/zinc/12/58/07/133125807.db2.gz PYHNJANQPJQYSA-UHFFFAOYSA-N 1 0 317.433 2.489 10 0 DEAERO Cc1cccc(CCNC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000358198153 133127795 /nfs/dbraw/zinc/12/77/95/133127795.db2.gz XFTZMKPDDDZKHF-UHFFFAOYSA-N 1 0 301.434 2.489 10 0 DEAERO O=C1[C@H]([NH2+][C@H]2CCc3ccccc32)CCN1C1CCOCC1 ZINC000358201216 133128075 /nfs/dbraw/zinc/12/80/75/133128075.db2.gz JKTWXPCNBJDWBP-DLBZAZTESA-N 1 0 300.402 2.043 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CC[C@@H](OCC(C)C)C2)CC1 ZINC000358202625 133128077 /nfs/dbraw/zinc/12/80/77/133128077.db2.gz XANHUCDABWKXDM-MRXNPFEDSA-N 1 0 309.454 2.095 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000358220544 133129456 /nfs/dbraw/zinc/12/94/56/133129456.db2.gz LKHHFCAQEKLKLC-UFBFGSQYSA-N 1 0 316.323 2.490 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc2ncnn21 ZINC000359802690 133145885 /nfs/dbraw/zinc/14/58/85/133145885.db2.gz XPDDHZXMYTYAOM-AWEZNQCLSA-N 1 0 315.421 2.114 10 0 DEAERO CC[N@H+](CCCO)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000360028888 133157784 /nfs/dbraw/zinc/15/77/84/133157784.db2.gz YMUAMTRBZCVYSY-UHFFFAOYSA-N 1 0 318.373 2.333 10 0 DEAERO CCNc1ccc(Cl)cc1C(=O)NCCNc1cc[nH+]cc1 ZINC000361889835 133198054 /nfs/dbraw/zinc/19/80/54/133198054.db2.gz BXEBKRXDZQMNLV-UHFFFAOYSA-N 1 0 318.808 2.431 10 0 DEAERO COC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362353099 133225542 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COCC[NH2+]Cc1c(Cl)cccc1N1CCCC[C@@H]1CO ZINC000062736725 134811879 /nfs/dbraw/zinc/81/18/79/134811879.db2.gz BFILESIIAZSXHO-CYBMUJFWSA-N 1 0 312.841 2.427 10 0 DEAERO N#Cc1cnccc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000547503135 285593184 /nfs/dbraw/zinc/59/31/84/285593184.db2.gz NYMWTUAADRBXSX-UHFFFAOYSA-N 1 0 322.412 2.462 10 0 DEAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ncsc1Br ZINC000564263077 292090063 /nfs/dbraw/zinc/09/00/63/292090063.db2.gz IYCFMQFMMWBKHV-MRVPVSSYSA-N 1 0 320.256 2.364 10 0 DEAERO CC(=O)c1cc(NC(=O)NCCc2cn(C)cn2)ccc1C ZINC000564583956 292100603 /nfs/dbraw/zinc/10/06/03/292100603.db2.gz HMRGEPOLWKKQJD-UHFFFAOYSA-N 1 0 300.362 2.295 10 0 DEAERO c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3COCCO3)CC23CC3)cc1 ZINC000564958614 292123438 /nfs/dbraw/zinc/12/34/38/292123438.db2.gz HXNBOZCRMHSUAF-ZWKOTPCHSA-N 1 0 316.445 2.189 10 0 DEAERO C[C@@H]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344986534 404485050 /nfs/dbraw/zinc/48/50/50/404485050.db2.gz DFNRXBFXIOPFSI-SZVBFZGTSA-N 1 0 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C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000261713047 145219310 /nfs/dbraw/zinc/21/93/10/145219310.db2.gz PHUNZABHUKHVEI-JOYOIKCWSA-N 1 0 302.296 2.313 10 0 DEAERO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261715606 145220235 /nfs/dbraw/zinc/22/02/35/145220235.db2.gz MWCLLKUPUMEGMG-CJNGLKHVSA-N 1 0 321.440 2.232 10 0 DEAERO COC(=O)c1ccc(Cl)c(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000261753610 145222563 /nfs/dbraw/zinc/22/25/63/145222563.db2.gz CJBLZAPPNGOTNT-CQSZACIVSA-N 1 0 308.809 2.453 10 0 DEAERO Nc1ccccc1CCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261762263 145223725 /nfs/dbraw/zinc/22/37/25/145223725.db2.gz QIRZXMGQWRQFKG-UHFFFAOYSA-N 1 0 311.429 2.231 10 0 DEAERO C[C@@H]1CCN(C(=O)Cc2coc(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000261777317 145224805 /nfs/dbraw/zinc/22/48/05/145224805.db2.gz KWMPYUINVIAORB-CZUORRHYSA-N 1 0 313.401 2.470 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)Cc1[nH]nc2ccccc21 ZINC000261788348 145226739 /nfs/dbraw/zinc/22/67/39/145226739.db2.gz UCOZZPOOIKZAEP-UHFFFAOYSA-N 1 0 322.412 2.135 10 0 DEAERO c1cn(-c2ccccc2)nc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261794986 145227307 /nfs/dbraw/zinc/22/73/07/145227307.db2.gz QLUYTPHNNHCGGA-IBGZPJMESA-N 1 0 319.412 2.414 10 0 DEAERO COc1ccc(-c2noc(CN3CC[C@H]([NH3+])C(C)(C)C3)n2)cc1 ZINC000261821145 145230234 /nfs/dbraw/zinc/23/02/34/145230234.db2.gz HJSZXRKQSZPWOT-AWEZNQCLSA-N 1 0 316.405 2.304 10 0 DEAERO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C[C@H]2COCCN2)c1 ZINC000261822046 145230481 /nfs/dbraw/zinc/23/04/81/145230481.db2.gz ASAQAJBUKBMMNN-RDBSUJKOSA-N 1 0 308.422 2.121 10 0 DEAERO c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261850008 145232723 /nfs/dbraw/zinc/23/27/23/145232723.db2.gz BEHIABKIEGJSRS-KURKYZTESA-N 1 0 311.429 2.482 10 0 DEAERO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261845352 145233021 /nfs/dbraw/zinc/23/30/21/145233021.db2.gz QXCDTBMCEWSXIA-GXFFZTMASA-N 1 0 311.376 2.351 10 0 DEAERO C[C@@H](NC(=O)[C@H]([NH3+])C1CCOCC1)c1ccc(Cl)s1 ZINC000261851923 145233635 /nfs/dbraw/zinc/23/36/35/145233635.db2.gz RPXFYKAJZCKQMZ-PRHODGIISA-N 1 0 302.827 2.333 10 0 DEAERO C[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)c1ccc(Cl)s1 ZINC000261851925 145233841 /nfs/dbraw/zinc/23/38/41/145233841.db2.gz RPXFYKAJZCKQMZ-QPUJVOFHSA-N 1 0 302.827 2.333 10 0 DEAERO [NH3+]C1(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)CCOCC1 ZINC000261866261 145235200 /nfs/dbraw/zinc/23/52/00/145235200.db2.gz NOCDFZGHGVTDCU-UHFFFAOYSA-N 1 0 320.408 2.115 10 0 DEAERO Cc1cc(C)cc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261875855 145235928 /nfs/dbraw/zinc/23/59/28/145235928.db2.gz DRJHEZCQNFQIPO-GUDVDZBRSA-N 1 0 318.461 2.429 10 0 DEAERO C[C@H](NC(=O)[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261872807 145236065 /nfs/dbraw/zinc/23/60/65/145236065.db2.gz TWLNUFRZNWJSLG-DZKIICNBSA-N 1 0 303.450 2.312 10 0 DEAERO Cc1nc(-c2cccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)c2)n[nH]1 ZINC000261881013 145236657 /nfs/dbraw/zinc/23/66/57/145236657.db2.gz MMZYBKKWRAOTGU-CQSZACIVSA-N 1 0 313.405 2.497 10 0 DEAERO CC(C)c1nc([C@H]2CCCN2C(=O)C[C@@H]2CCC[C@H]2[NH3+])no1 ZINC000261882332 145237117 /nfs/dbraw/zinc/23/71/17/145237117.db2.gz ZFTKLLCOYANFTH-YNEHKIRRSA-N 1 0 306.410 2.374 10 0 DEAERO CC[C@H](C)C(=O)N1CSC[C@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000261883226 145237193 /nfs/dbraw/zinc/23/71/93/145237193.db2.gz WRFGWEGCUXYDGV-UWVGGRQHSA-N 1 0 310.423 2.028 10 0 DEAERO CN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261902246 145239348 /nfs/dbraw/zinc/23/93/48/145239348.db2.gz WWGOCGIFUHVIKU-DXBFTMOHSA-N 1 0 320.820 2.385 10 0 DEAERO CC1(C)CN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CC[C@H]1[NH3+] ZINC000261914966 145241375 /nfs/dbraw/zinc/24/13/75/145241375.db2.gz UERCMLTZCTXNHT-OAHLLOKOSA-N 1 0 316.380 2.211 10 0 DEAERO C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261937177 145244256 /nfs/dbraw/zinc/24/42/56/145244256.db2.gz JBANHZHBFPSHDB-UKRRQHHQSA-N 1 0 323.481 2.047 10 0 DEAERO COc1cc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc(OC)c1OC ZINC000261942445 145244959 /nfs/dbraw/zinc/24/49/59/145244959.db2.gz UYGFOXYYQCILSL-OAHLLOKOSA-N 1 0 322.405 2.429 10 0 DEAERO c1cc2c(c(C[NH+]3CCC(O[C@H]4CCOC4)CC3)c1)NCC2 ZINC000261944825 145245069 /nfs/dbraw/zinc/24/50/69/145245069.db2.gz NDUOVJLZRADSNQ-KRWDZBQOSA-N 1 0 302.418 2.425 10 0 DEAERO C[C@H](NC(=O)CN1CCC[C@@H](C)[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000261959622 145246726 /nfs/dbraw/zinc/24/67/26/145246726.db2.gz ONDUXGVMNBWYOV-DVOMOZLQSA-N 1 0 307.413 2.062 10 0 DEAERO C[NH2+]CCC1CCN(CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000261966508 145247487 /nfs/dbraw/zinc/24/74/87/145247487.db2.gz PNDSFZWGTBMMTM-UHFFFAOYSA-N 1 0 311.376 2.225 10 0 DEAERO Cc1cc(C)cc(-n2ncc(CN3CC[C@@]4(CC[NH2+]C4)C3)n2)c1 ZINC000262003966 145251843 /nfs/dbraw/zinc/25/18/43/145251843.db2.gz LOPCZXBQBICGJQ-GOSISDBHSA-N 1 0 311.433 2.070 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)Cc1ccc(-n2cncn2)cc1 ZINC000262003924 145252298 /nfs/dbraw/zinc/25/22/98/145252298.db2.gz LNRWFKKKPSVERE-UHFFFAOYSA-N 1 0 321.428 2.271 10 0 DEAERO c1nc(-c2ccccn2)sc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261999423 145252323 /nfs/dbraw/zinc/25/23/23/145252323.db2.gz LENKTCGAYFXKAF-MRXNPFEDSA-N 1 0 300.431 2.391 10 0 DEAERO [NH3+]C1(c2noc([C@@H]3C[C@@H]3c3ccc4c(c3)OCCO4)n2)CCC1 ZINC000262007659 145253139 /nfs/dbraw/zinc/25/31/39/145253139.db2.gz USAHJWAJLNQUTD-VXGBXAGGSA-N 1 0 313.357 2.450 10 0 DEAERO CCN(C)c1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cn1 ZINC000262039424 145256311 /nfs/dbraw/zinc/25/63/11/145256311.db2.gz YEJQAIYFLZOZTN-KRWDZBQOSA-N 1 0 311.433 2.079 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)Oc1ccccc1F ZINC000262038500 145256333 /nfs/dbraw/zinc/25/63/33/145256333.db2.gz YHJIZKSHNRFTOK-WTTBNOFXSA-N 1 0 322.424 2.340 10 0 DEAERO C[C@H]1CCCN(Cc2ccc3c(c2)sc(=O)n3C)[C@H]1C[NH3+] ZINC000262047877 145256764 /nfs/dbraw/zinc/25/67/64/145256764.db2.gz ZGCHUBPPHRMIRT-FZMZJTMJSA-N 1 0 305.447 2.159 10 0 DEAERO C[C@@H]1CCCN(Cc2ccc3c(c2)sc(=O)n3C)[C@@H]1C[NH3+] ZINC000262047871 145256812 /nfs/dbraw/zinc/25/68/12/145256812.db2.gz ZGCHUBPPHRMIRT-BXUZGUMPSA-N 1 0 305.447 2.159 10 0 DEAERO C[C@@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[C@H]1c1ccccc1 ZINC000262115439 145262739 /nfs/dbraw/zinc/26/27/39/145262739.db2.gz FOWFFJAFOYRYGF-NVXWUHKLSA-N 1 0 316.445 2.394 10 0 DEAERO C[C@H](c1ccccc1)N(C)C(=O)CN(C)C[C@]1(C)CC[NH2+]C1 ZINC000262127097 145264433 /nfs/dbraw/zinc/26/44/33/145264433.db2.gz XVSNBTYYRJGTDZ-CRAIPNDOSA-N 1 0 303.450 2.137 10 0 DEAERO Fc1cccc(Cc2noc(-c3cc([C@H]4CC[NH2+]C4)[nH]n3)n2)c1 ZINC000262137950 145265494 /nfs/dbraw/zinc/26/54/94/145265494.db2.gz YXFSKFLNIIPKDP-NSHDSACASA-N 1 0 313.336 2.267 10 0 DEAERO CC[NH2+][C@H](C)CNC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000262446085 145284184 /nfs/dbraw/zinc/28/41/84/145284184.db2.gz IRWFMHQOMKNUOE-SNVBAGLBSA-N 1 0 304.312 2.242 10 0 DEAERO C[C@H]1CCN(Cc2nc(-c3ccc(F)cc3)no2)[C@H](C[NH3+])C1 ZINC000262492316 145286993 /nfs/dbraw/zinc/28/69/93/145286993.db2.gz LCXBEERSPNKCGL-FZMZJTMJSA-N 1 0 304.369 2.435 10 0 DEAERO COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000262490922 145287149 /nfs/dbraw/zinc/28/71/49/145287149.db2.gz LAQFSFXDILFOAN-TYNCELHUSA-N 1 0 306.406 2.269 10 0 DEAERO O=C(CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)Nc1ccccc1 ZINC000262489610 145287462 /nfs/dbraw/zinc/28/74/62/145287462.db2.gz WGMCREASLCEPHY-IMJJTQAJSA-N 1 0 315.417 2.052 10 0 DEAERO C[C@@H](C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)C1C[NH2+]C1 ZINC000262500557 145288037 /nfs/dbraw/zinc/28/80/37/145288037.db2.gz IQTHFUXNDKVWJZ-RISCZKNCSA-N 1 0 322.380 2.178 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000262503528 145288270 /nfs/dbraw/zinc/28/82/70/145288270.db2.gz FIKWDVIIWZYZCK-PJIALRRASA-N 1 0 306.356 2.468 10 0 DEAERO C[C@@H]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000262506829 145288665 /nfs/dbraw/zinc/28/86/65/145288665.db2.gz MMTTVHVUSDMAKQ-KQVLKZGSSA-N 1 0 308.466 2.461 10 0 DEAERO CC(C)c1nc(-c2ccccc2NC(=O)[C@H](C)C2C[NH2+]C2)n[nH]1 ZINC000262505798 145288926 /nfs/dbraw/zinc/28/89/26/145288926.db2.gz JCOXEQAYWZNCJB-LLVKDONJSA-N 1 0 313.405 2.389 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1nc(C2CC2)cs1 ZINC000262530278 145290684 /nfs/dbraw/zinc/29/06/84/145290684.db2.gz PLIFECKXOCSYGB-KANYHAFZSA-N 1 0 321.446 2.492 10 0 DEAERO C[C@H](C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)C1C[NH2+]C1 ZINC000262564806 145293437 /nfs/dbraw/zinc/29/34/37/145293437.db2.gz RJGBIJADFBARGV-UBHSHLNASA-N 1 0 308.447 2.018 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1NC(=O)N1CCCC1)C1C[NH2+]C1 ZINC000262561627 145293634 /nfs/dbraw/zinc/29/36/34/145293634.db2.gz QTGWKHGDKQUYGK-GFCCVEGCSA-N 1 0 316.405 2.108 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000262595210 145295394 /nfs/dbraw/zinc/29/53/94/145295394.db2.gz XKKXGJOJZVJHRD-BBWFWOEESA-N 1 0 302.418 2.316 10 0 DEAERO C[C@@H](NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000262587099 145295795 /nfs/dbraw/zinc/29/57/95/145295795.db2.gz ZWJPMQRMFMRBNS-OYUZRVEBSA-N 1 0 302.418 2.396 10 0 DEAERO COC(=O)C1(NC(=O)C[C@H](C)C2CC[NH2+]CC2)CCC(C)CC1 ZINC000262640759 145297793 /nfs/dbraw/zinc/29/77/93/145297793.db2.gz QLUCCRWDTPHTJQ-FVRSWCFKSA-N 1 0 324.465 2.250 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262719083 145301661 /nfs/dbraw/zinc/30/16/61/145301661.db2.gz FGRHQLGBDQATNT-NHYWBVRUSA-N 1 0 318.808 2.254 10 0 DEAERO Cc1csc(C2(NC(=O)C[C@H]3CSCC[NH2+]3)CCC2)n1 ZINC000262745083 145303095 /nfs/dbraw/zinc/30/30/95/145303095.db2.gz FSCSXUPANUAWFX-NSHDSACASA-N 1 0 311.476 2.042 10 0 DEAERO Cc1cc(C)c(C)c(OCCC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000262867824 145308271 /nfs/dbraw/zinc/30/82/71/145308271.db2.gz UTHHEASOFQHKNW-HOCLYGCPSA-N 1 0 304.434 2.495 10 0 DEAERO Cc1ccc(O[C@H](C)c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263135512 145327901 /nfs/dbraw/zinc/32/79/01/145327901.db2.gz CAIOJPHALQYCDP-OCCSQVGLSA-N 1 0 302.378 2.094 10 0 DEAERO Cc1ccc(O[C@@H](C)c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263135496 145328190 /nfs/dbraw/zinc/32/81/90/145328190.db2.gz CAIOJPHALQYCDP-JSGCOSHPSA-N 1 0 302.378 2.094 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cc(F)c(F)cc2Cl)n1 ZINC000263151997 145330529 /nfs/dbraw/zinc/33/05/29/145330529.db2.gz DDWHKIQZFDPFSY-LLVKDONJSA-N 1 0 314.723 2.244 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2coc3cc(F)ccc23)n1 ZINC000263188000 145334477 /nfs/dbraw/zinc/33/44/77/145334477.db2.gz HOZFUBBGBWBSQU-CYBMUJFWSA-N 1 0 316.336 2.122 10 0 DEAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccc(F)c(-c2cccs2)c1 ZINC000263194732 145334763 /nfs/dbraw/zinc/33/47/63/145334763.db2.gz IHQNHGLAHWGLKI-DOMZBBRYSA-N 1 0 306.406 2.224 10 0 DEAERO C[C@H](Oc1cccc(Cl)c1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263217861 145337256 /nfs/dbraw/zinc/33/72/56/145337256.db2.gz LFRZWZZWQWRHKV-GXFFZTMASA-N 1 0 322.796 2.439 10 0 DEAERO COCC[C@@H](COC)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309863240 145350546 /nfs/dbraw/zinc/35/05/46/145350546.db2.gz OHFJKGYDYOJURK-MSOLQXFVSA-N 1 0 306.450 2.292 10 0 DEAERO c1cn(-c2csc(C[NH2+][C@H]3CCO[C@@]4(CCOC4)C3)c2)cn1 ZINC000344331951 145844615 /nfs/dbraw/zinc/84/46/15/145844615.db2.gz YFCLWIXPCIWBGS-BBRMVZONSA-N 1 0 319.430 2.362 10 0 DEAERO COC1([C@H](C)[NH2+]CCN2CCc3ccccc3C2)CCOCC1 ZINC000453059387 292146020 /nfs/dbraw/zinc/14/60/20/292146020.db2.gz AYDIVSBTIPFIRF-INIZCTEOSA-N 1 0 318.461 2.218 10 0 DEAERO C[C@H](C[NH+](C)C)NC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000358509029 147147474 /nfs/dbraw/zinc/14/74/74/147147474.db2.gz VTIMQGNROVCPKK-IJEWVQPXSA-N 1 0 305.422 2.108 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@@](C)(O)CCC(C)C)CC1 ZINC000358652108 147174211 /nfs/dbraw/zinc/17/42/11/147174211.db2.gz SCFQSFVMQXJOEF-KRWDZBQOSA-N 1 0 311.470 2.125 10 0 DEAERO CCCN(CC[NH+](C)C)C(=O)c1ncsc1Br ZINC000358654494 147174467 /nfs/dbraw/zinc/17/44/67/147174467.db2.gz SVYBNYDMCTUANR-UHFFFAOYSA-N 1 0 320.256 2.319 10 0 DEAERO O=C1[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CCN1C1CCOCC1 ZINC000359079508 147258284 /nfs/dbraw/zinc/25/82/84/147258284.db2.gz GSTAPYWLJZZTCH-SFHVURJKSA-N 1 0 314.429 2.434 10 0 DEAERO C[NH+](C)C1(CNC(=O)NC[C@@](C)(O)C2CCCCC2)CCC1 ZINC000359303871 147303924 /nfs/dbraw/zinc/30/39/24/147303924.db2.gz JUHWSDMJWJVLKQ-MRXNPFEDSA-N 1 0 311.470 2.101 10 0 DEAERO c1ncn(-c2ccc(C[NH+]3CCC(c4cn[nH]c4)CC3)cc2)n1 ZINC000371385321 148096537 /nfs/dbraw/zinc/09/65/37/148096537.db2.gz XCPHCMPVASIBNQ-UHFFFAOYSA-N 1 0 308.389 2.370 10 0 DEAERO COCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000374230948 148221038 /nfs/dbraw/zinc/22/10/38/148221038.db2.gz OLNKXLSUAVSEEG-CADBVGFASA-N 1 0 318.461 2.169 10 0 DEAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ncc[nH]c3=O)C2)C[C@@H]1C ZINC000408397660 148599747 /nfs/dbraw/zinc/59/97/47/148599747.db2.gz VTTGPJYFHYHPDA-QPSCCSFWSA-N 1 0 304.438 2.153 10 0 DEAERO CC[C@H](C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)[NH+](C)C ZINC000408472462 148611120 /nfs/dbraw/zinc/61/11/20/148611120.db2.gz VJCXIVHJJCIYNO-KGLIPLIRSA-N 1 0 319.453 2.008 10 0 DEAERO CCOCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000246306248 286074734 /nfs/dbraw/zinc/07/47/34/286074734.db2.gz DLQGOVSQCXXLIX-HOTGVXAUSA-N 1 0 305.422 2.110 10 0 DEAERO Cc1ccccc1[C@H](C)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111789311 401723875 /nfs/dbraw/zinc/72/38/75/401723875.db2.gz IXMJFLBVJFNRPF-HNNXBMFYSA-N 1 0 319.449 2.060 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@H](C)c2ccccc21 ZINC000111867872 401726392 /nfs/dbraw/zinc/72/63/92/401726392.db2.gz NZKQDGRVKDLPAL-GJZGRUSLSA-N 1 0 317.433 2.431 10 0 DEAERO CC(C)COC1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000127322894 401729108 /nfs/dbraw/zinc/72/91/08/401729108.db2.gz PCZLBUMIWYBKBY-GJZGRUSLSA-N 1 0 323.481 2.458 10 0 DEAERO CC(C)[NH+](CCCNC(=O)[C@@H](C)NC(=O)c1ccco1)C(C)C ZINC000074330328 401736066 /nfs/dbraw/zinc/73/60/66/401736066.db2.gz KJNAUADBJVWPMZ-CQSZACIVSA-N 1 0 323.437 2.023 10 0 DEAERO CC[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nccs1 ZINC000074365777 401737095 /nfs/dbraw/zinc/73/70/95/401737095.db2.gz QGWZCXXQOPWSGA-AGIUHOORSA-N 1 0 308.451 2.472 10 0 DEAERO C[C@H](CCc1cccn1C)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000074746712 401744200 /nfs/dbraw/zinc/74/42/00/401744200.db2.gz CAQFOHBPLHVATQ-OAHLLOKOSA-N 1 0 318.465 2.226 10 0 DEAERO C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CCCO1 ZINC000071935614 401698871 /nfs/dbraw/zinc/69/88/71/401698871.db2.gz PGEXHGGPNKWUEV-HZPDHXFCSA-N 1 0 311.470 2.365 10 0 DEAERO COC(=O)C[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000127002576 401716506 /nfs/dbraw/zinc/71/65/06/401716506.db2.gz NZZQVSMVWGUELH-INIZCTEOSA-N 1 0 318.417 2.139 10 0 DEAERO C[C@H]1C[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)CCS1 ZINC000127038564 401717396 /nfs/dbraw/zinc/71/73/96/401717396.db2.gz RWLKKRBKFNYTCG-STQMWFEESA-N 1 0 306.431 2.345 10 0 DEAERO CN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)C1CCC1 ZINC000073621850 401719299 /nfs/dbraw/zinc/71/92/99/401719299.db2.gz JHCTVNVSWFHWQE-UHFFFAOYSA-N 1 0 305.422 2.321 10 0 DEAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000076513250 401798184 /nfs/dbraw/zinc/79/81/84/401798184.db2.gz BWSKQPHRSSYMMD-SQNIBIBYSA-N 1 0 305.418 2.208 10 0 DEAERO CCC(CC)CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000129099256 401798748 /nfs/dbraw/zinc/79/87/48/401798748.db2.gz DVISJODJIRKKGG-KRWDZBQOSA-N 1 0 309.498 2.441 10 0 DEAERO C[C@@H]1CC[C@H](CC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000129099655 401798810 /nfs/dbraw/zinc/79/88/10/401798810.db2.gz CYQHXFJGFGGOPF-SQNIBIBYSA-N 1 0 321.509 2.441 10 0 DEAERO Cc1ncc(C[NH2+]CC[C@H](C)[S@@](C)=O)n1-c1ccccc1 ZINC000129318294 401802329 /nfs/dbraw/zinc/80/23/29/401802329.db2.gz GMESAEGRBBTVBC-ZSEKCTLFSA-N 1 0 305.447 2.427 10 0 DEAERO CC1CC[NH+](CCCCNC(=O)N(C)C[C@H]2CCCO2)CC1 ZINC000077000709 401802379 /nfs/dbraw/zinc/80/23/79/401802379.db2.gz OLZLZXSLBXOMCZ-MRXNPFEDSA-N 1 0 311.470 2.319 10 0 DEAERO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)C[C@H]2CCCO2)c1 ZINC000077020808 401802916 /nfs/dbraw/zinc/80/29/16/401802916.db2.gz HTKBTOBELCDDIP-QGZVFWFLSA-N 1 0 319.449 2.459 10 0 DEAERO C[C@H](Oc1cncc(N2CC[NH2+]CC2)n1)c1cccc(F)c1 ZINC000013972073 401805676 /nfs/dbraw/zinc/80/56/76/401805676.db2.gz VIVXNAQRWKTJPF-LBPRGKRZSA-N 1 0 302.353 2.165 10 0 DEAERO CCOc1c(OC)cc(CN2CC[NH+](C3CC3)CC2)cc1OC ZINC000127945820 401756586 /nfs/dbraw/zinc/75/65/86/401756586.db2.gz PNCUXUBDBFASSO-UHFFFAOYSA-N 1 0 320.433 2.383 10 0 DEAERO CCOC[C@@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000075314988 401757360 /nfs/dbraw/zinc/75/73/60/401757360.db2.gz KSCMVMGRUYAQCL-MGNMYUMUSA-N 1 0 323.481 2.460 10 0 DEAERO COCCCCCNC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112746899 401757634 /nfs/dbraw/zinc/75/76/34/401757634.db2.gz ZYLWDSONYYCXJS-UHFFFAOYSA-N 1 0 322.453 2.428 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCOCC2CC2)[C@H](C)C1 ZINC000128050434 401760685 /nfs/dbraw/zinc/76/06/85/401760685.db2.gz YQRHGZANIIGGLC-GDBMZVCRSA-N 1 0 311.470 2.175 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3cccs3)CC2)C1 ZINC000128072475 401761872 /nfs/dbraw/zinc/76/18/72/401761872.db2.gz XPXMTTHMDUGQJV-AWEZNQCLSA-N 1 0 322.478 2.064 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2ccc3c(c2)CC(C)(C)O3)CCO1 ZINC000128119781 401763230 /nfs/dbraw/zinc/76/32/30/401763230.db2.gz YXLPWMRXXZMKHY-INIZCTEOSA-N 1 0 304.434 2.163 10 0 DEAERO Cc1csc(C2CC[NH+](CCCN3CCOCC3)CC2)n1 ZINC000075678910 401766195 /nfs/dbraw/zinc/76/61/95/401766195.db2.gz ICHGKQDJJIAIPO-UHFFFAOYSA-N 1 0 309.479 2.353 10 0 DEAERO CCOc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1C ZINC000113040123 401766760 /nfs/dbraw/zinc/76/67/60/401766760.db2.gz QGRIDINHLVPMKX-UHFFFAOYSA-N 1 0 316.405 2.404 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCc1ccccn1 ZINC000113232833 401771478 /nfs/dbraw/zinc/77/14/78/401771478.db2.gz OYYNWSDIDCNWNO-UKRRQHHQSA-N 1 0 305.447 2.010 10 0 DEAERO COc1ccc(CCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1F ZINC000113233319 401772370 /nfs/dbraw/zinc/77/23/70/401772370.db2.gz CGVNMFIVIJJNJS-DZGCQCFKSA-N 1 0 320.408 2.462 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000113267519 401773811 /nfs/dbraw/zinc/77/38/11/401773811.db2.gz UPUXWLMUQUUEKL-TVFCKZIOSA-N 1 0 319.493 2.336 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1 ZINC000113269961 401773914 /nfs/dbraw/zinc/77/39/14/401773914.db2.gz KWULSNIMYQPZNS-SWLSCSKDSA-N 1 0 307.825 2.447 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(Cc2ccccc2)no1 ZINC000113269697 401773978 /nfs/dbraw/zinc/77/39/78/401773978.db2.gz UJEZQHMYKHKBIQ-GDBMZVCRSA-N 1 0 312.417 2.329 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000113454956 401779430 /nfs/dbraw/zinc/77/94/30/401779430.db2.gz ZDVAUIUAIZVQGZ-IACUBPJLSA-N 1 0 308.372 2.478 10 0 DEAERO Cc1ccn2c(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)cnc2c1 ZINC000128508494 401780000 /nfs/dbraw/zinc/78/00/00/401780000.db2.gz QWILRAOBWFWBBZ-HNNXBMFYSA-N 1 0 310.405 2.146 10 0 DEAERO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000076249742 401788516 /nfs/dbraw/zinc/78/85/16/401788516.db2.gz CXTOTYGGZZRMQZ-OAHLLOKOSA-N 1 0 315.417 2.105 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)NCC2([NH+](C)C)CCOCC2)o1 ZINC000114017433 401789278 /nfs/dbraw/zinc/78/92/78/401789278.db2.gz KVHNEJOATNOMSG-CYBMUJFWSA-N 1 0 309.410 2.059 10 0 DEAERO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000076298742 401789808 /nfs/dbraw/zinc/78/98/08/401789808.db2.gz AJLZFRBRXRVECP-WBVHZDCISA-N 1 0 304.434 2.153 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](CO)CC(C)(C)C)CC1 ZINC000128844456 401794627 /nfs/dbraw/zinc/79/46/27/401794627.db2.gz NCTQSNSEIGXBRI-OAHLLOKOSA-N 1 0 313.486 2.205 10 0 DEAERO C[C@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)[NH+]1CCCCCC1 ZINC000114243933 401794805 /nfs/dbraw/zinc/79/48/05/401794805.db2.gz IGQXBTQDTSRUMF-GFCCVEGCSA-N 1 0 317.389 2.221 10 0 DEAERO CCOC(=O)CN(C(=O)C[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000077483616 401816813 /nfs/dbraw/zinc/81/68/13/401816813.db2.gz TTWFNTKWSFHQIM-UHFFFAOYSA-N 1 0 318.417 2.457 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2cscn2)[C@H](C)C1 ZINC000130259605 401824785 /nfs/dbraw/zinc/82/47/85/401824785.db2.gz KWMMLIKOBOVTCI-TZMCWYRMSA-N 1 0 310.467 2.057 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1COc2ccccc2C1 ZINC000077729988 401827721 /nfs/dbraw/zinc/82/77/21/401827721.db2.gz UISSMDHSUFKBJB-CVEARBPZSA-N 1 0 304.434 2.330 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@@H](C)CO)c1ccccc1 ZINC000077754138 401828966 /nfs/dbraw/zinc/82/89/66/401828966.db2.gz FZJMACVFSMZZAC-ZMSDIMECSA-N 1 0 321.465 2.386 10 0 DEAERO CC(C)CC[C@@](C)(O)CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000077774340 401830187 /nfs/dbraw/zinc/83/01/87/401830187.db2.gz NRUBXFFCXXADSJ-QGZVFWFLSA-N 1 0 313.486 2.205 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2csc(Br)c2)CCC1=O ZINC000077900139 401835964 /nfs/dbraw/zinc/83/59/64/401835964.db2.gz XFQXVTAURDOINL-VIFPVBQESA-N 1 0 303.225 2.221 10 0 DEAERO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116322328 401850169 /nfs/dbraw/zinc/85/01/69/401850169.db2.gz NLNJJHHIHATQRL-ZBFHGGJFSA-N 1 0 318.465 2.294 10 0 DEAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000028877666 401853279 /nfs/dbraw/zinc/85/32/79/401853279.db2.gz COODCLLYQAJYIL-QWHCGFSZSA-N 1 0 305.422 2.380 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116532525 401854144 /nfs/dbraw/zinc/85/41/44/401854144.db2.gz YCFWPHNLXLUVAU-CQSZACIVSA-N 1 0 309.410 2.094 10 0 DEAERO Cc1nc2ccccc2n1CC(=O)NCC[NH+]1CCCCCC1 ZINC000078870714 401867546 /nfs/dbraw/zinc/86/75/46/401867546.db2.gz JMQGOVDXMXUJER-UHFFFAOYSA-N 1 0 314.433 2.337 10 0 DEAERO CC(C)NC(=O)CCN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000077371495 401812486 /nfs/dbraw/zinc/81/24/86/401812486.db2.gz OCTMQRHNKVAZGW-QGZVFWFLSA-N 1 0 317.477 2.498 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCn2ccnc2)C1 ZINC000129938679 401812597 /nfs/dbraw/zinc/81/25/97/401812597.db2.gz MLJWVIOIXWHCGP-AWEZNQCLSA-N 1 0 308.426 2.120 10 0 DEAERO Cc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)c(Br)c1 ZINC000119092030 401925279 /nfs/dbraw/zinc/92/52/79/401925279.db2.gz MDNBGXWBQVALJD-ZDUSSCGKSA-N 1 0 313.239 2.178 10 0 DEAERO CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000135249234 401932121 /nfs/dbraw/zinc/93/21/21/401932121.db2.gz LPIPYTOOAGXBDC-LBPRGKRZSA-N 1 0 309.797 2.122 10 0 DEAERO CC[C@H](COC)[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000119197113 401932645 /nfs/dbraw/zinc/93/26/45/401932645.db2.gz CCWJZUQGHMTHSO-OLZOCXBDSA-N 1 0 302.212 2.497 10 0 DEAERO CCn1c(C[NH2+][C@](C)(CCO)COC)nc2c1cccc2F ZINC000079920273 401883482 /nfs/dbraw/zinc/88/34/82/401883482.db2.gz KEAGBSKXRKPZCY-MRXNPFEDSA-N 1 0 309.385 2.072 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000079921490 401883781 /nfs/dbraw/zinc/88/37/81/401883781.db2.gz DXBWMCKECKBBIS-SFHVURJKSA-N 1 0 317.433 2.366 10 0 DEAERO O=C(C[C@H]1CSCC[NH2+]1)N1CCCC[C@@H]1c1nccs1 ZINC000133673094 401893224 /nfs/dbraw/zinc/89/32/24/401893224.db2.gz SFKCUYCZRFWSEA-NWDGAFQWSA-N 1 0 311.476 2.292 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccncc1 ZINC000035693269 401900463 /nfs/dbraw/zinc/90/04/63/401900463.db2.gz HEJAAJLAEMDYNS-GFCCVEGCSA-N 1 0 301.415 2.379 10 0 DEAERO COCCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036095466 401901968 /nfs/dbraw/zinc/90/19/68/401901968.db2.gz AOBHZAHGAYSIFA-QGZVFWFLSA-N 1 0 313.413 2.450 10 0 DEAERO [NH3+]C1(CNS(=O)(=O)c2cccc(F)c2)CCCCCC1 ZINC000036266838 401903688 /nfs/dbraw/zinc/90/36/88/401903688.db2.gz GMCBJDLLGKPCFA-UHFFFAOYSA-N 1 0 300.399 2.156 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccnc(OCC(F)F)c1 ZINC000134593750 401908182 /nfs/dbraw/zinc/90/81/82/401908182.db2.gz XWJSTIRWGUUKBE-LLVKDONJSA-N 1 0 315.364 2.186 10 0 DEAERO CC[C@@]1(C(=O)NC2CCN(c3ccc(C)cn3)CC2)CCC[NH2+]1 ZINC000134620420 401908913 /nfs/dbraw/zinc/90/89/13/401908913.db2.gz ZNSLIEDPVONTMH-SFHVURJKSA-N 1 0 316.449 2.007 10 0 DEAERO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@H](O)CN2CCOCC2)c1 ZINC000134872337 401917559 /nfs/dbraw/zinc/91/75/59/401917559.db2.gz WDNSTJQOTHYMDQ-IEBWSBKVSA-N 1 0 318.461 2.133 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cccc(Br)c1 ZINC000038012402 401920331 /nfs/dbraw/zinc/92/03/31/401920331.db2.gz OMWDVJFAIGZDIZ-BXUZGUMPSA-N 1 0 324.222 2.357 10 0 DEAERO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)ccn1 ZINC000119265537 401936987 /nfs/dbraw/zinc/93/69/87/401936987.db2.gz XXVSHKQQSYPJHX-CQSZACIVSA-N 1 0 318.421 2.107 10 0 DEAERO CCn1cc(CN2CCCN(C(=O)C[C@@H](C)SC)CC2)cn1 ZINC000119059267 401922400 /nfs/dbraw/zinc/92/24/00/401922400.db2.gz YEFXTHPPEFVVFG-CQSZACIVSA-N 1 0 324.494 2.079 10 0 DEAERO CC[C@](C)(O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000119489709 401953541 /nfs/dbraw/zinc/95/35/41/401953541.db2.gz OZSOYLZXXHUJJK-LOUJCGABSA-N 1 0 312.454 2.383 10 0 DEAERO O=C(NCCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1)C(F)(F)F ZINC000091620800 401997394 /nfs/dbraw/zinc/99/73/94/401997394.db2.gz MROMIKPMXBQYMU-NSHDSACASA-N 1 0 304.316 2.005 10 0 DEAERO CC(C)c1ncc(Cl)c(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000089710347 401958766 /nfs/dbraw/zinc/95/87/66/401958766.db2.gz SZSZJVMYBCLQEJ-CMPLNLGQSA-N 1 0 310.829 2.276 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000045545256 401959001 /nfs/dbraw/zinc/95/90/01/401959001.db2.gz VUNZVVKCNQTVFL-CYBMUJFWSA-N 1 0 321.421 2.160 10 0 DEAERO CCN(CCO)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119594017 401960919 /nfs/dbraw/zinc/96/09/19/401960919.db2.gz WGECWGKQUZGXSK-GOSISDBHSA-N 1 0 319.449 2.065 10 0 DEAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC(=O)C1 ZINC000136698787 401971718 /nfs/dbraw/zinc/97/17/18/401971718.db2.gz FPQCUVHETRKTML-INIZCTEOSA-N 1 0 300.402 2.136 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150832248 401998420 /nfs/dbraw/zinc/99/84/20/401998420.db2.gz QFQDNLIXBFATLT-INIZCTEOSA-N 1 0 311.433 2.185 10 0 DEAERO C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000136968690 401976707 /nfs/dbraw/zinc/97/67/07/401976707.db2.gz ZUTWQXQXXWZFRH-GOEBONIOSA-N 1 0 309.454 2.214 10 0 DEAERO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000137395381 401983016 /nfs/dbraw/zinc/98/30/16/401983016.db2.gz RXCRDCQVBQULJZ-PBHICJAKSA-N 1 0 302.418 2.359 10 0 DEAERO N[C@H](CCC[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000142648989 401990441 /nfs/dbraw/zinc/99/04/41/401990441.db2.gz CZKAFDAWTJPERP-GOSISDBHSA-N 1 0 310.397 2.408 10 0 DEAERO Cc1cccc(F)c1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120533620 401993231 /nfs/dbraw/zinc/99/32/31/401993231.db2.gz UAVIWJBQBKKOBK-OLZOCXBDSA-N 1 0 321.396 2.014 10 0 DEAERO COC(=O)CCC[N@H+]1C[C@@H](c2ccccc2)C[C@H](C(=O)OC)C1 ZINC000135464622 401940458 /nfs/dbraw/zinc/94/04/58/401940458.db2.gz FNTQTZPQYNQYAQ-HOTGVXAUSA-N 1 0 319.401 2.218 10 0 DEAERO Cn1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1=O ZINC000044604017 401945708 /nfs/dbraw/zinc/94/57/08/401945708.db2.gz VYPLVZCIFQESEE-UHFFFAOYSA-N 1 0 311.385 2.233 10 0 DEAERO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631294 401997067 /nfs/dbraw/zinc/99/70/67/401997067.db2.gz IJEKHEZVCOHWGI-KBPBESRZSA-N 1 0 319.453 2.048 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)O1 ZINC000151040343 402012710 /nfs/dbraw/zinc/01/27/10/402012710.db2.gz RSQAIOMPUQTQJP-CJNGLKHVSA-N 1 0 308.397 2.283 10 0 DEAERO C[C@@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)O1 ZINC000151040252 402012769 /nfs/dbraw/zinc/01/27/69/402012769.db2.gz RSQAIOMPUQTQJP-CZUORRHYSA-N 1 0 308.397 2.283 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000151113266 402016865 /nfs/dbraw/zinc/01/68/65/402016865.db2.gz XZELFPNNUZSETK-HUUCEWRRSA-N 1 0 320.437 2.250 10 0 DEAERO COc1c2ccccc2c2c(c1CCC[NH+](C)C)C(=O)NC2=O ZINC000095932823 402034682 /nfs/dbraw/zinc/03/46/82/402034682.db2.gz FKSHUMFNCSANBA-UHFFFAOYSA-N 1 0 312.369 2.226 10 0 DEAERO CCC1CCC(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151427315 402035720 /nfs/dbraw/zinc/03/57/20/402035720.db2.gz CMRZWCIKLDHYRQ-UHFFFAOYSA-N 1 0 311.470 2.053 10 0 DEAERO CCNC(=O)CC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000091980756 401999900 /nfs/dbraw/zinc/99/99/00/401999900.db2.gz SGUPPDCARLAAND-CQSZACIVSA-N 1 0 307.413 2.031 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cc(OC)cc(OC)c2)C[C@@H]1C ZINC000120881124 402005374 /nfs/dbraw/zinc/00/53/74/402005374.db2.gz QQLVXOGTRZPLJR-HNNXBMFYSA-N 1 0 322.449 2.246 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000120890816 402005975 /nfs/dbraw/zinc/00/59/75/402005975.db2.gz UADXZEHWTLIRHP-HNNXBMFYSA-N 1 0 322.449 2.246 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000150965971 402007681 /nfs/dbraw/zinc/00/76/81/402007681.db2.gz QTWMJXCJZGSUGK-BZUAXINKSA-N 1 0 309.454 2.071 10 0 DEAERO CCCn1cc(CN2CC[N@H+](CCOCC)[C@H](CC)C2)cn1 ZINC000120998499 402009998 /nfs/dbraw/zinc/00/99/98/402009998.db2.gz YIUOQWLEHMTWCC-QGZVFWFLSA-N 1 0 308.470 2.226 10 0 DEAERO O=C(c1ccn(C2CCCC2)n1)N1CCN2CCCC[C@H]2C1 ZINC000151012870 402010609 /nfs/dbraw/zinc/01/06/09/402010609.db2.gz MWMJAIVKIMWHCJ-HNNXBMFYSA-N 1 0 302.422 2.309 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2nc3ccccc3[nH]2)C[C@H]1CC ZINC000121006102 402010705 /nfs/dbraw/zinc/01/07/05/402010705.db2.gz JGQQMABAZNAPJF-OAHLLOKOSA-N 1 0 316.449 2.496 10 0 DEAERO C[N@H+](Cc1ccc(Br)c(F)c1)CC(C)(CO)CO ZINC000122337206 402073393 /nfs/dbraw/zinc/07/33/93/402073393.db2.gz XBAMNMBLVIKRNR-UHFFFAOYSA-N 1 0 320.202 2.011 10 0 DEAERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@@H](C)N1CCCC1=O ZINC000055169112 402076988 /nfs/dbraw/zinc/07/69/88/402076988.db2.gz CAOCHICGJPYUKC-MRXNPFEDSA-N 1 0 323.481 2.110 10 0 DEAERO CC(C)(C)c1noc(CN2CC[C@H](Oc3cccnc3)C2)n1 ZINC000152192305 402081213 /nfs/dbraw/zinc/08/12/13/402081213.db2.gz RNULWJKCISOTJF-ZDUSSCGKSA-N 1 0 302.378 2.415 10 0 DEAERO CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000152379615 402093176 /nfs/dbraw/zinc/09/31/76/402093176.db2.gz AQFJKTWOJOHXQT-HZPDHXFCSA-N 1 0 311.470 2.317 10 0 DEAERO COCC[N@@H+]1CCN(c2cnc3cc(F)c(F)cc3n2)C[C@H]1C ZINC000122838734 402097198 /nfs/dbraw/zinc/09/71/98/402097198.db2.gz CWYFWDJLUCONTK-LLVKDONJSA-N 1 0 322.359 2.065 10 0 DEAERO COCc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC000096990172 402100031 /nfs/dbraw/zinc/10/00/31/402100031.db2.gz LECJINVWEUTVBP-HNNXBMFYSA-N 1 0 302.374 2.459 10 0 DEAERO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000123129762 402112322 /nfs/dbraw/zinc/11/23/22/402112322.db2.gz LPIOIMMAXWKUGQ-INIZCTEOSA-N 1 0 314.389 2.116 10 0 DEAERO CC[C@H]1CN(C(=O)CCCCSC)CC[N@@H+]1CCOC ZINC000123196049 402115384 /nfs/dbraw/zinc/11/53/84/402115384.db2.gz YFTOUWSZCSHYOX-AWEZNQCLSA-N 1 0 302.484 2.089 10 0 DEAERO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)c1 ZINC000123253118 402118078 /nfs/dbraw/zinc/11/80/78/402118078.db2.gz MGELOZXIYQVUKJ-UONOGXRCSA-N 1 0 308.422 2.075 10 0 DEAERO CCOc1ccc(CN2CC[NH+](C[C@](C)(O)CC)CC2)cc1 ZINC000123254910 402118264 /nfs/dbraw/zinc/11/82/64/402118264.db2.gz RBGZWMMMQQICKX-GOSISDBHSA-N 1 0 306.450 2.364 10 0 DEAERO COc1cccc(Cl)c1CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000153016458 402122432 /nfs/dbraw/zinc/12/24/32/402122432.db2.gz MDPJHZBYJUDLCG-GFCCVEGCSA-N 1 0 322.836 2.492 10 0 DEAERO Nc1cc(C(=O)NCC[NH+]2CCCC2)cc(Cl)c1Cl ZINC000054110446 402062792 /nfs/dbraw/zinc/06/27/92/402062792.db2.gz TUXQWKXLKUMEGZ-UHFFFAOYSA-N 1 0 302.205 2.401 10 0 DEAERO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCOC(C)C)C2)n1 ZINC000054204423 402064419 /nfs/dbraw/zinc/06/44/19/402064419.db2.gz MJHJCTMOCDUPSZ-OAHLLOKOSA-N 1 0 305.422 2.466 10 0 DEAERO CC[C@@](C)(O)C[NH+]1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000123289123 402119836 /nfs/dbraw/zinc/11/98/36/402119836.db2.gz DVZGCESWBZPERO-QGZVFWFLSA-N 1 0 310.413 2.113 10 0 DEAERO CC(C)[C@H](O)CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000153079100 402125498 /nfs/dbraw/zinc/12/54/98/402125498.db2.gz UKFNQHMBUFUOMI-QGZVFWFLSA-N 1 0 319.449 2.099 10 0 DEAERO COc1cccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123557493 402134412 /nfs/dbraw/zinc/13/44/12/402134412.db2.gz PCVVHGRYOFMEOJ-HIFRSBDPSA-N 1 0 305.422 2.048 10 0 DEAERO CC[C@](C)(O)C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000123558186 402134606 /nfs/dbraw/zinc/13/46/06/402134606.db2.gz FMDDEWRKSZWLRS-HOCLYGCPSA-N 1 0 312.479 2.214 10 0 DEAERO O=Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000066617568 402137979 /nfs/dbraw/zinc/13/79/79/402137979.db2.gz BOPYBUBQJAYHAI-UHFFFAOYSA-N 1 0 323.396 2.289 10 0 DEAERO CCc1ccc(C(=O)N2CC[NH+](C[C@@](C)(O)CC)CC2)cc1 ZINC000123366437 402124017 /nfs/dbraw/zinc/12/40/17/402124017.db2.gz XCYGIORAJFEPCH-SFHVURJKSA-N 1 0 304.434 2.168 10 0 DEAERO COC(=O)c1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000153405953 402143466 /nfs/dbraw/zinc/14/34/66/402143466.db2.gz XFAWPCIPQBIJHW-QWHCGFSZSA-N 1 0 319.405 2.420 10 0 DEAERO CCOC[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)C(C)C ZINC000191220259 286166347 /nfs/dbraw/zinc/16/63/47/286166347.db2.gz KKWHAUGCTSBBES-GPANFISMSA-N 1 0 313.486 2.467 10 0 DEAERO Cc1ccc(CNC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000123884919 402152459 /nfs/dbraw/zinc/15/24/59/402152459.db2.gz QCPLTVQILHFEHP-GDBMZVCRSA-N 1 0 321.440 2.165 10 0 DEAERO CC(C)[C@@H](O)CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000153511359 402150247 /nfs/dbraw/zinc/15/02/47/402150247.db2.gz SZGHBQAVGMSZLF-SJORKVTESA-N 1 0 319.449 2.140 10 0 DEAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(C)=O)c1 ZINC000101727369 402154308 /nfs/dbraw/zinc/15/43/08/402154308.db2.gz POJFQCAMZUZUPK-QGZVFWFLSA-N 1 0 317.433 2.478 10 0 DEAERO CN(CC[NH+]1CCCC1)C(=O)c1coc(Br)c1 ZINC000103117918 402178946 /nfs/dbraw/zinc/17/89/46/402178946.db2.gz VIXMVOWBGZHIIE-UHFFFAOYSA-N 1 0 301.184 2.210 10 0 DEAERO CC[N@H+](C)[C@H](C(=O)NCc1cccc(OC)n1)c1ccccc1 ZINC000103193010 402181240 /nfs/dbraw/zinc/18/12/40/402181240.db2.gz MUIQMYATKVHNHQ-KRWDZBQOSA-N 1 0 313.401 2.399 10 0 DEAERO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1C ZINC000124462113 402181464 /nfs/dbraw/zinc/18/14/64/402181464.db2.gz CRGZCNOVGZLVKW-GOSISDBHSA-N 1 0 316.445 2.374 10 0 DEAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc2c1OCOC2 ZINC000103285732 402183318 /nfs/dbraw/zinc/18/33/18/402183318.db2.gz QCOALAJBCHAWOM-GHMZBOCLSA-N 1 0 324.808 2.292 10 0 DEAERO CCOc1ccc(OCC[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000103284773 402183383 /nfs/dbraw/zinc/18/33/83/402183383.db2.gz VGUSAKARRADREX-KBPBESRZSA-N 1 0 306.406 2.050 10 0 DEAERO CC[C@@H](O)C[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000124542788 402185160 /nfs/dbraw/zinc/18/51/60/402185160.db2.gz LJCCYTAGQJVPBI-SECBINFHSA-N 1 0 304.184 2.024 10 0 DEAERO C[C@@H](CNC(=O)c1coc(Br)c1)[N@H+](C)C1CC1 ZINC000068216620 402187523 /nfs/dbraw/zinc/18/75/23/402187523.db2.gz WQGIGBMSXPZLQC-QMMMGPOBSA-N 1 0 301.184 2.255 10 0 DEAERO O=C(Nc1ccc2n[nH]cc2c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154150530 402195167 /nfs/dbraw/zinc/19/51/67/402195167.db2.gz LQIYLJAABXBONL-INIZCTEOSA-N 1 0 314.389 2.145 10 0 DEAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCCN2C(=O)CNC2=O)o1 ZINC000124830993 402199640 /nfs/dbraw/zinc/19/96/40/402199640.db2.gz GYTRWCLYSFPMTQ-CQSZACIVSA-N 1 0 319.405 2.311 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COc1cc(C)ccc1F ZINC000124188170 402168204 /nfs/dbraw/zinc/16/82/04/402168204.db2.gz XHZHJXDEFWJACV-AWEZNQCLSA-N 1 0 308.397 2.456 10 0 DEAERO COc1cccc(OCC[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000153832171 402173930 /nfs/dbraw/zinc/17/39/30/402173930.db2.gz ZXXOBXWGDWJVBV-AWEZNQCLSA-N 1 0 301.390 2.297 10 0 DEAERO C[C@H](NC(=O)[C@H](C)[N@H+](C)CCCn1ccnc1)c1ccccc1 ZINC000124319450 402174235 /nfs/dbraw/zinc/17/42/35/402174235.db2.gz ZDMATJKRADKLBF-HOTGVXAUSA-N 1 0 314.433 2.471 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cc1NC(C)=O ZINC000154609161 402220962 /nfs/dbraw/zinc/22/09/62/402220962.db2.gz AFBONLIWTZTVDP-DOMZBBRYSA-N 1 0 305.422 2.398 10 0 DEAERO CNC(=O)CCC[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000154632974 402222904 /nfs/dbraw/zinc/22/29/04/402222904.db2.gz QCHFNIFVXAVGKG-UHFFFAOYSA-N 1 0 305.353 2.439 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(-c2ncon2)cc1 ZINC000107244891 402228726 /nfs/dbraw/zinc/22/87/26/402228726.db2.gz MUYXJAOGJBLOGZ-LBPRGKRZSA-N 1 0 302.378 2.197 10 0 DEAERO CCc1noc(CC)c1CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000154788216 402231667 /nfs/dbraw/zinc/23/16/67/402231667.db2.gz NDEXXVPUQQDHGA-QWHCGFSZSA-N 1 0 305.422 2.037 10 0 DEAERO COCCOc1ccc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000125560096 402238822 /nfs/dbraw/zinc/23/88/22/402238822.db2.gz YUAMHXRFLFQEQQ-QAPCUYQASA-N 1 0 323.433 2.152 10 0 DEAERO O=S(=O)(Cc1ccccc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107707749 402239179 /nfs/dbraw/zinc/23/91/79/402239179.db2.gz BZGBEEOPUNZUDD-KRWDZBQOSA-N 1 0 322.474 2.467 10 0 DEAERO CCCOc1ccc(CNC(=O)NC[C@@H](C)[NH+](CC)CC)cn1 ZINC000107832629 402241538 /nfs/dbraw/zinc/24/15/38/402241538.db2.gz NQPRQKBRLSTWJT-CQSZACIVSA-N 1 0 322.453 2.400 10 0 DEAERO CCc1nc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cs1 ZINC000107853862 402242015 /nfs/dbraw/zinc/24/20/15/402242015.db2.gz HLXWFTXLRDKCLF-ZDUSSCGKSA-N 1 0 308.451 2.085 10 0 DEAERO CCc1nc2c(s1)[C@H]([NH2+]C[C@]1(CCO)CCOC1)CCC2 ZINC000125630623 402242838 /nfs/dbraw/zinc/24/28/38/402242838.db2.gz ALHAAQNSFKTXTK-WBMJQRKESA-N 1 0 310.463 2.462 10 0 DEAERO C[C@H]1OCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[C@H]1C ZINC000125876881 402254880 /nfs/dbraw/zinc/25/48/80/402254880.db2.gz KMJZVWCXJBYBLI-QWHCGFSZSA-N 1 0 323.412 2.206 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)s1 ZINC000070170260 402257754 /nfs/dbraw/zinc/25/77/54/402257754.db2.gz AEZDDBVQTJAXHS-LLVKDONJSA-N 1 0 302.465 2.060 10 0 DEAERO [NH3+]C1CCN(c2ccc(-c3nc(-c4ccccn4)no3)cn2)CC1 ZINC000070457831 402261013 /nfs/dbraw/zinc/26/10/13/402261013.db2.gz VHYYYRYLWPOWBD-UHFFFAOYSA-N 1 0 322.372 2.121 10 0 DEAERO Cc1ccccc1OCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105919629 402211327 /nfs/dbraw/zinc/21/13/27/402211327.db2.gz FJCTUQQMEGUHCV-MRXNPFEDSA-N 1 0 300.406 2.378 10 0 DEAERO COc1cc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1SC ZINC000109328813 402271224 /nfs/dbraw/zinc/27/12/24/402271224.db2.gz HMFPXKGVXLWYNX-UONOGXRCSA-N 1 0 324.490 2.304 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000184670303 402290439 /nfs/dbraw/zinc/29/04/39/402290439.db2.gz RLWYZDHVMQJUIG-WDEREUQCSA-N 1 0 316.405 2.352 10 0 DEAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)C(C3CC3)C3CC3)C2)CC1 ZINC000157078039 402291744 /nfs/dbraw/zinc/29/17/44/402291744.db2.gz IUXWQOFBOKIDRB-KRWDZBQOSA-N 1 0 319.493 2.051 10 0 DEAERO C[NH+]1CCC(N2CCN(c3ccc(N)cc3Cl)CC2)CC1 ZINC000217658212 402293338 /nfs/dbraw/zinc/29/33/38/402293338.db2.gz BZYAWQDGVLFOSZ-UHFFFAOYSA-N 1 0 308.857 2.138 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000176294957 402297593 /nfs/dbraw/zinc/29/75/93/402297593.db2.gz BZDXGXNXLUHDMF-PBHICJAKSA-N 1 0 319.449 2.366 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)[C@H](C)OCc2ccccc2)[C@@H](C)C1 ZINC000184762582 402298283 /nfs/dbraw/zinc/29/82/83/402298283.db2.gz GBBBQYJWDPRGHV-ZOBUZTSGSA-N 1 0 304.434 2.437 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CCC([NH+](C)C)CC3)nc21 ZINC000176339559 402301172 /nfs/dbraw/zinc/30/11/72/402301172.db2.gz ZLAFNNOJHFEVGJ-UHFFFAOYSA-N 1 0 314.433 2.357 10 0 DEAERO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000176356464 402302588 /nfs/dbraw/zinc/30/25/88/402302588.db2.gz RVJMSXCDYXDMDN-NSHDSACASA-N 1 0 305.353 2.295 10 0 DEAERO CC(C)C[C@H](C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000184863224 402305383 /nfs/dbraw/zinc/30/53/83/402305383.db2.gz HXCFZVFOTJZFDP-MAUKXSAKSA-N 1 0 318.461 2.204 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1cc(F)ccc1F ZINC000176401000 402306051 /nfs/dbraw/zinc/30/60/51/402306051.db2.gz MFGXPEJXVZXERE-AWEZNQCLSA-N 1 0 311.376 2.291 10 0 DEAERO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3C[C@@H]3C)c2)CC1 ZINC000184919532 402309060 /nfs/dbraw/zinc/30/90/60/402309060.db2.gz PJBCQBJNTUPMNC-XJKSGUPXSA-N 1 0 302.422 2.358 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1Cc2ccccc2C1 ZINC000184916410 402309126 /nfs/dbraw/zinc/30/91/26/402309126.db2.gz MCNRAJIASZWVIC-QZTJIDSGSA-N 1 0 313.445 2.422 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3=Cc4cc(Cl)ccc4OC3)C[C@@H]12 ZINC000184950814 402312074 /nfs/dbraw/zinc/31/20/74/402312074.db2.gz ODCPVVXUYRPIOI-VCTAVGKDSA-N 1 0 318.804 2.312 10 0 DEAERO O[C@H](C[NH+]1CCC(n2cncn2)CC1)c1ccc(F)cc1Cl ZINC000184985973 402315198 /nfs/dbraw/zinc/31/51/98/402315198.db2.gz YCHNYXQEEUHLLH-OAHLLOKOSA-N 1 0 324.787 2.441 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(-c2cnn(C)c2)no1 ZINC000185020784 402317456 /nfs/dbraw/zinc/31/74/56/402317456.db2.gz FCTRQTPVBATZOR-CABCVRRESA-N 1 0 315.421 2.134 10 0 DEAERO CCN(CC)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000176650049 402326388 /nfs/dbraw/zinc/32/63/88/402326388.db2.gz OPKUCTPPZAVIJW-UHFFFAOYSA-N 1 0 319.449 2.195 10 0 DEAERO Fc1cc(C[NH2+]C(C2CC2)C2CC2)cnc1N1CCOCC1 ZINC000185279674 402340992 /nfs/dbraw/zinc/34/09/92/402340992.db2.gz RCJREOVWDDIZJW-UHFFFAOYSA-N 1 0 305.397 2.336 10 0 DEAERO CNC(=O)[C@@H]([NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1)C(C)C ZINC000185307561 402341989 /nfs/dbraw/zinc/34/19/89/402341989.db2.gz CFDAWZICHQVYII-LRDDRELGSA-N 1 0 310.413 2.373 10 0 DEAERO COc1cc[nH+]c(N2CCN(C(=O)[C@H]3C[C@H]3C(C)C)CC2)c1 ZINC000185322322 402343389 /nfs/dbraw/zinc/34/33/89/402343389.db2.gz ZTQISFYUTFRJLN-GJZGRUSLSA-N 1 0 303.406 2.031 10 0 DEAERO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229555473 402344250 /nfs/dbraw/zinc/34/42/50/402344250.db2.gz LIORQBVBDUVGAU-RCCFBDPRSA-N 1 0 302.418 2.195 10 0 DEAERO COC(C)(C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000185335034 402344369 /nfs/dbraw/zinc/34/43/69/402344369.db2.gz KIDWYQHFBOBSJS-INIZCTEOSA-N 1 0 304.434 2.438 10 0 DEAERO COC(=O)c1coc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000185443683 402352330 /nfs/dbraw/zinc/35/23/30/402352330.db2.gz ZYBFFNSBJYJDOI-LBPRGKRZSA-N 1 0 308.378 2.061 10 0 DEAERO CC(=O)CC[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000177284491 402387471 /nfs/dbraw/zinc/38/74/71/402387471.db2.gz NZQWIYQTUWCWJL-UHFFFAOYSA-N 1 0 302.418 2.133 10 0 DEAERO Cc1oc2ccccc2c1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000185494969 402356884 /nfs/dbraw/zinc/35/68/84/402356884.db2.gz YZIOKAUWERWVNS-ZDUSSCGKSA-N 1 0 315.417 2.107 10 0 DEAERO CC(C)[C@@H]1C[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000185535922 402359640 /nfs/dbraw/zinc/35/96/40/402359640.db2.gz ZRTGONQZFUVGKD-DLBZAZTESA-N 1 0 321.509 2.345 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccn(-c2ccccc2)n1 ZINC000177021578 402360487 /nfs/dbraw/zinc/36/04/87/402360487.db2.gz AWTGPDUFDYPALL-INIZCTEOSA-N 1 0 312.417 2.429 10 0 DEAERO COC[C@@H](C)OC[C@H](O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000234866023 402361676 /nfs/dbraw/zinc/36/16/76/402361676.db2.gz YMGLCSLLSWCIRV-LALPHHSUSA-N 1 0 301.814 2.403 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnc2ccccc2c1O ZINC000177030598 402361762 /nfs/dbraw/zinc/36/17/62/402361762.db2.gz BPJCPORHSGWTPT-CYBMUJFWSA-N 1 0 313.401 2.084 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)C12CCOCC2 ZINC000185663946 402368071 /nfs/dbraw/zinc/36/80/71/402368071.db2.gz BDTLOMOUBIBMIM-IRXDYDNUSA-N 1 0 315.417 2.398 10 0 DEAERO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000227971169 402334746 /nfs/dbraw/zinc/33/47/46/402334746.db2.gz WRDZQEYXZLCCPA-RNCFNFMXSA-N 1 0 318.186 2.218 10 0 DEAERO COc1cc(C[NH2+][C@H](C)C[C@H](C)O)cc(Br)c1O ZINC000228072424 402335823 /nfs/dbraw/zinc/33/58/23/402335823.db2.gz CDEPNDRAJFDWMU-BDAKNGLRSA-N 1 0 318.211 2.412 10 0 DEAERO CCC[C@H](C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1)[NH+](C)C ZINC000161683812 402396059 /nfs/dbraw/zinc/39/60/59/402396059.db2.gz JXZTUYZVDOIVBY-CQSZACIVSA-N 1 0 301.394 2.449 10 0 DEAERO COc1cccc(F)c1[C@@H](C)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237282717 402402273 /nfs/dbraw/zinc/40/22/73/402402273.db2.gz FWEMQZKWKBMAOT-MNOVXSKESA-N 1 0 312.410 2.107 10 0 DEAERO Cc1ccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)c(OC(C)(C)C)c1 ZINC000161912486 402403182 /nfs/dbraw/zinc/40/31/82/402403182.db2.gz GNLKUWJTZHOCJQ-QGZVFWFLSA-N 1 0 308.397 2.490 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000237307825 402403567 /nfs/dbraw/zinc/40/35/67/402403567.db2.gz SPNDPTFYHQWJDM-MCIONIFRSA-N 1 0 306.406 2.048 10 0 DEAERO C[C@@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccc2c(c1)OCO2 ZINC000237394195 402406905 /nfs/dbraw/zinc/40/69/05/402406905.db2.gz LMRYCTBJIAMSMJ-XIKOKIGWSA-N 1 0 312.369 2.467 10 0 DEAERO C[C@@H](NC(=O)C1([NH3+])CCCCC1)c1cn(-c2ccccc2)nn1 ZINC000237496711 402410209 /nfs/dbraw/zinc/41/02/09/402410209.db2.gz KXRQOSXDGOKNAE-CYBMUJFWSA-N 1 0 313.405 2.106 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)c1 ZINC000162117218 402410427 /nfs/dbraw/zinc/41/04/27/402410427.db2.gz LTRQLGMMNXKWGP-OAHLLOKOSA-N 1 0 316.380 2.116 10 0 DEAERO CC1(C)[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)[C@@H]2CCO[C@@H]21 ZINC000186210677 402410613 /nfs/dbraw/zinc/41/06/13/402410613.db2.gz RGEASEOVDYMELY-XNISGKROSA-N 1 0 321.442 2.308 10 0 DEAERO CCC[C@H](C(=O)N[C@H]1CCCN(c2ccccc2)C1=O)[NH+](C)C ZINC000162153646 402411587 /nfs/dbraw/zinc/41/15/87/402411587.db2.gz YPLCCDPPYNBHPW-JKSUJKDBSA-N 1 0 317.433 2.029 10 0 DEAERO CCC[C@@H](C(=O)NC1CCN(c2cccc(C)n2)CC1)[NH+](C)C ZINC000162183551 402412694 /nfs/dbraw/zinc/41/26/94/402412694.db2.gz ZEDZUWUIGPXMJG-INIZCTEOSA-N 1 0 318.465 2.205 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]CCc2c(C)nn(C)c2C)C12CCOCC2 ZINC000186226823 402413338 /nfs/dbraw/zinc/41/33/38/402413338.db2.gz RRALCBBVUVVDAN-DLBZAZTESA-N 1 0 321.465 2.143 10 0 DEAERO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1CCCOC1 ZINC000177530499 402413400 /nfs/dbraw/zinc/41/34/00/402413400.db2.gz JUOHGCMWHVIKIU-OAHLLOKOSA-N 1 0 309.454 2.262 10 0 DEAERO Cc1ccccc1OCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237563015 402413606 /nfs/dbraw/zinc/41/36/06/402413606.db2.gz IKYOENHARCUKGR-PMPSAXMXSA-N 1 0 302.418 2.411 10 0 DEAERO CCc1cnc(CCNC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)s1 ZINC000177556416 402415699 /nfs/dbraw/zinc/41/56/99/402415699.db2.gz KCHVAVLSYWHPNE-ZDUSSCGKSA-N 1 0 324.494 2.374 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)C12CCOCC2 ZINC000186271297 402416629 /nfs/dbraw/zinc/41/66/29/402416629.db2.gz WJOJPPJKOUTQRI-XWTMOSNGSA-N 1 0 317.429 2.209 10 0 DEAERO C[C@H](Oc1cccc(F)c1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237667006 402417263 /nfs/dbraw/zinc/41/72/63/402417263.db2.gz VTBRSKAVXIDUTL-YXQSOJMXSA-N 1 0 306.381 2.334 10 0 DEAERO CCC[C@H](C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000162377187 402418298 /nfs/dbraw/zinc/41/82/98/402418298.db2.gz YLPNFTNTBZMAMD-GFCCVEGCSA-N 1 0 315.458 2.136 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]Cc2c(C)nn(C)c2C)C12CCOCC2 ZINC000186304332 402419289 /nfs/dbraw/zinc/41/92/89/402419289.db2.gz CHVKAVJLPQOXLZ-HOTGVXAUSA-N 1 0 307.438 2.101 10 0 DEAERO C[C@@H]([NH2+]CC1(O)CCOCC1)c1ccccc1OC(F)F ZINC000162609153 402426142 /nfs/dbraw/zinc/42/61/42/402426142.db2.gz QTRXTQZUIRNBFJ-LLVKDONJSA-N 1 0 301.333 2.480 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000177702619 402428638 /nfs/dbraw/zinc/42/86/38/402428638.db2.gz IZWRLFMJUKMWCV-DLBZAZTESA-N 1 0 301.434 2.208 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccn2ccnc2c1 ZINC000177712427 402429545 /nfs/dbraw/zinc/42/95/45/402429545.db2.gz XRSGIKMMBNSWFI-AWEZNQCLSA-N 1 0 315.421 2.008 10 0 DEAERO c1ccc(OCc2n[nH]c(C[NH2+][C@@H]3CCCSC3)n2)cc1 ZINC000186421560 402430234 /nfs/dbraw/zinc/43/02/34/402430234.db2.gz XUUUXFUCPNVSBC-GFCCVEGCSA-N 1 0 304.419 2.369 10 0 DEAERO O=C([C@H]1Cc2cc(F)ccc2O1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177751742 402433019 /nfs/dbraw/zinc/43/30/19/402433019.db2.gz BTFJSKLAEXLGRF-GDBMZVCRSA-N 1 0 315.348 2.017 10 0 DEAERO CCc1ccc(NC(=O)C(=O)NCCC[NH+](CC)CC)cc1F ZINC000162879354 402435386 /nfs/dbraw/zinc/43/53/86/402435386.db2.gz VOKRWVSREOPTAV-UHFFFAOYSA-N 1 0 323.412 2.175 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000163509694 402451785 /nfs/dbraw/zinc/45/17/85/402451785.db2.gz MZPARMWBOLWLCJ-KZNAEPCWSA-N 1 0 316.445 2.187 10 0 DEAERO CCOC[C@@H](C)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000177931605 402444875 /nfs/dbraw/zinc/44/48/75/402444875.db2.gz VVVZHBNHEQZEPR-OAHLLOKOSA-N 1 0 300.402 2.411 10 0 DEAERO C[C@]1(C(N)=O)CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000185922721 402389630 /nfs/dbraw/zinc/38/96/30/402389630.db2.gz ADACWYJPTKRZRR-MRXNPFEDSA-N 1 0 323.824 2.399 10 0 DEAERO CCOCCC1(CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000161615518 402393442 /nfs/dbraw/zinc/39/34/42/402393442.db2.gz VEVKEUKQQFAJFT-HNNXBMFYSA-N 1 0 311.470 2.319 10 0 DEAERO O=C(NCCC1CCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000177350931 402393929 /nfs/dbraw/zinc/39/39/29/402393929.db2.gz DXUPREYWYOIIMB-UHFFFAOYSA-N 1 0 309.454 2.073 10 0 DEAERO C[NH2+]C1CCN(C(=O)[C@@H](C)Sc2ccc(OC)cc2)CC1 ZINC000237078803 402394091 /nfs/dbraw/zinc/39/40/91/402394091.db2.gz OPLLIKNIAPJQDL-GFCCVEGCSA-N 1 0 308.447 2.386 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000237073788 402394193 /nfs/dbraw/zinc/39/41/93/402394193.db2.gz XFHGDZKJXDTVGC-LBPRGKRZSA-N 1 0 305.422 2.285 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000186696193 402456594 /nfs/dbraw/zinc/45/65/94/402456594.db2.gz YTRPBVXSTMMQMR-ABAIWWIYSA-N 1 0 318.808 2.254 10 0 DEAERO C[C@@H]1CC[N@H+](CCC(=O)N2CCOCC2)[C@H]1c1cccc(F)c1 ZINC000245407908 402456861 /nfs/dbraw/zinc/45/68/61/402456861.db2.gz DNNXGPVAFBQDCH-RDTXWAMCSA-N 1 0 320.408 2.458 10 0 DEAERO Brc1ccsc1C[NH2+]CCCn1ccnn1 ZINC000163758018 402457394 /nfs/dbraw/zinc/45/73/94/402457394.db2.gz DECIHOUDLQKCBA-UHFFFAOYSA-N 1 0 301.213 2.282 10 0 DEAERO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178084415 402458792 /nfs/dbraw/zinc/45/87/92/402458792.db2.gz GXNVEKQLLFFKQE-RYQLBKOJSA-N 1 0 320.477 2.384 10 0 DEAERO COC[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000245423800 402459085 /nfs/dbraw/zinc/45/90/85/402459085.db2.gz BSGGNHVEFFPVAM-JALIKCBVSA-N 1 0 321.421 2.282 10 0 DEAERO CCO[C@H](CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000245480826 402464880 /nfs/dbraw/zinc/46/48/80/402464880.db2.gz XPUHWEUUVQUSSR-DLBZAZTESA-N 1 0 323.481 2.461 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C(=O)Nc1nccs1)CC2 ZINC000245499260 402465931 /nfs/dbraw/zinc/46/59/31/402465931.db2.gz XUNGLRPRSMEKKY-MJBXVCDLSA-N 1 0 322.478 2.417 10 0 DEAERO CCC[C@H](C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O)[NH+](C)C ZINC000245501359 402466678 /nfs/dbraw/zinc/46/66/78/402466678.db2.gz ARDMKEJXKMHCOV-VNQPRFMTSA-N 1 0 317.433 2.027 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000187837157 402512399 /nfs/dbraw/zinc/51/23/99/402512399.db2.gz CXGLJGYMXHJFGE-UKRRQHHQSA-N 1 0 312.479 2.302 10 0 DEAERO CC[C@@H]1CN(CCC(=O)c2ccc(F)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245566484 402471497 /nfs/dbraw/zinc/47/14/97/402471497.db2.gz SWJCWKXHOVTSPL-WMLDXEAASA-N 1 0 322.424 2.176 10 0 DEAERO CC[C@@H]1CN(Cc2csc(C3CC3)n2)CC[N@@H+]1C[C@H](C)O ZINC000245588438 402472501 /nfs/dbraw/zinc/47/25/01/402472501.db2.gz FMRYXCGASYQHNT-SWLSCSKDSA-N 1 0 309.479 2.298 10 0 DEAERO COCCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245648129 402476460 /nfs/dbraw/zinc/47/64/60/402476460.db2.gz MDXAECCBIPIIEY-HZPDHXFCSA-N 1 0 305.422 2.110 10 0 DEAERO c1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)nc(C2CC2)n1 ZINC000165674290 402477776 /nfs/dbraw/zinc/47/77/76/402477776.db2.gz GQXXQGBYMSHWDI-INIZCTEOSA-N 1 0 316.449 2.435 10 0 DEAERO c1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nc(C2CC2)n1 ZINC000165674436 402477818 /nfs/dbraw/zinc/47/78/18/402477818.db2.gz GQXXQGBYMSHWDI-MRXNPFEDSA-N 1 0 316.449 2.435 10 0 DEAERO C[C@@H]1[C@H](C)OCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245685517 402479227 /nfs/dbraw/zinc/47/92/27/402479227.db2.gz WDBPVGRITHZDFY-WTTBNOFXSA-N 1 0 317.433 2.251 10 0 DEAERO C[C@H](CO)[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000245685679 402479379 /nfs/dbraw/zinc/47/93/79/402479379.db2.gz PPPOZEVNNTZJCG-NXEZZACHSA-N 1 0 308.205 2.046 10 0 DEAERO C[C@@H](CNC(=O)NC[C@@H]1CCC(C)(C)O1)C[NH+]1CCCCC1 ZINC000187061601 402480426 /nfs/dbraw/zinc/48/04/26/402480426.db2.gz VZUNXUZOTUDSKO-GJZGRUSLSA-N 1 0 311.470 2.365 10 0 DEAERO CC[C@H]1CN(CC2=Cc3ccccc3OC2)CC[N@@H+]1C[C@H](C)O ZINC000245701559 402480994 /nfs/dbraw/zinc/48/09/94/402480994.db2.gz DFJYOXLCMQDABV-YJBOKZPZSA-N 1 0 316.445 2.239 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000170678640 402513112 /nfs/dbraw/zinc/51/31/12/402513112.db2.gz KSTXPCPBFODBOU-IRXDYDNUSA-N 1 0 302.418 2.288 10 0 DEAERO CC(C)[C@H](C(=O)NCc1ccc(CO)c(F)c1)[NH+]1CCCCC1 ZINC000178313072 402484093 /nfs/dbraw/zinc/48/40/93/402484093.db2.gz XWLFUMUBVUDCBG-QGZVFWFLSA-N 1 0 322.424 2.445 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C ZINC000178314645 402484184 /nfs/dbraw/zinc/48/41/84/402484184.db2.gz BLOGNWTZFMIPJV-HOCLYGCPSA-N 1 0 304.438 2.057 10 0 DEAERO C[C@@H](CO)[C@@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000167117676 402490213 /nfs/dbraw/zinc/49/02/13/402490213.db2.gz IOOUFQZQLCWHRT-WDEREUQCSA-N 1 0 302.212 2.434 10 0 DEAERO COC(=O)CCN1CC[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000245841695 402490238 /nfs/dbraw/zinc/49/02/38/402490238.db2.gz CRBJBJAGRVBHFP-HOTGVXAUSA-N 1 0 304.434 2.359 10 0 DEAERO C[N@H+](C[C@@H]1COc2ccccc2O1)[C@H]1Cc2ccccc2[C@H]1O ZINC000245868635 402492720 /nfs/dbraw/zinc/49/27/20/402492720.db2.gz QWZPKFVUXGRVBN-SIXWZSSISA-N 1 0 311.381 2.417 10 0 DEAERO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCCCC(N)=O ZINC000187328576 402494523 /nfs/dbraw/zinc/49/45/23/402494523.db2.gz HHJWDDPDRIRJJW-UHFFFAOYSA-N 1 0 319.449 2.189 10 0 DEAERO C[C@@]1(O)CCC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000245895061 402495521 /nfs/dbraw/zinc/49/55/21/402495521.db2.gz KFQDGPQRDQHEMX-HZPDHXFCSA-N 1 0 313.825 2.064 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCc2ccsc2)C1 ZINC000245906041 402496280 /nfs/dbraw/zinc/49/62/80/402496280.db2.gz FHUUSOOKMDZRLZ-LSDHHAIUSA-N 1 0 307.463 2.416 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCCc3ccccn3)CC[C@@H]21 ZINC000178432721 402497453 /nfs/dbraw/zinc/49/74/53/402497453.db2.gz YEEVYSDYCQEYIX-WBVHZDCISA-N 1 0 316.449 2.140 10 0 DEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H](C)CS(=O)(=O)c2ccccc2)C1 ZINC000245921899 402497842 /nfs/dbraw/zinc/49/78/42/402497842.db2.gz YAMUUOOIEFKCSK-BFYDXBDKSA-N 1 0 324.490 2.167 10 0 DEAERO COc1cc(C[NH2+][C@@H](C)CN(C)C)cc(Br)c1O ZINC000168715751 402498127 /nfs/dbraw/zinc/49/81/27/402498127.db2.gz UTDSBLNEBOWHQG-VIFPVBQESA-N 1 0 317.227 2.203 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC(C)(C)CC(=O)OC ZINC000245941973 402499830 /nfs/dbraw/zinc/49/98/30/402499830.db2.gz UPBRRPKSDKKHBQ-KBPBESRZSA-N 1 0 310.438 2.051 10 0 DEAERO CCc1ncc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)cn1 ZINC000245987329 402502087 /nfs/dbraw/zinc/50/20/87/402502087.db2.gz CJCSFTVUFABSQE-ZIAGYGMSSA-N 1 0 303.410 2.130 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000178810457 402542731 /nfs/dbraw/zinc/54/27/31/402542731.db2.gz REYOLBRBWAIVKH-DZGCQCFKSA-N 1 0 305.397 2.356 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000178809746 402542962 /nfs/dbraw/zinc/54/29/62/402542962.db2.gz ABASUENUVFAVNO-HUUCEWRRSA-N 1 0 306.454 2.181 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1ccccc1F ZINC000246783297 402544512 /nfs/dbraw/zinc/54/45/12/402544512.db2.gz BGOVRFSWFDEQPL-ZFWWWQNUSA-N 1 0 305.397 2.246 10 0 DEAERO CCc1cnc(CCNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)s1 ZINC000178834832 402545169 /nfs/dbraw/zinc/54/51/69/402545169.db2.gz YSISRKPYJKLUEZ-HNNXBMFYSA-N 1 0 315.442 2.079 10 0 DEAERO COc1cccc([C@@H]2CN(CCOCC(F)F)CCO2)c1 ZINC000189569479 402546326 /nfs/dbraw/zinc/54/63/26/402546326.db2.gz SACLNYCMGFPXEP-AWEZNQCLSA-N 1 0 301.333 2.350 10 0 DEAERO O=C(c1ccc2nccn2c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000170973830 402546632 /nfs/dbraw/zinc/54/66/32/402546632.db2.gz HVOKVABIWYSRSM-INIZCTEOSA-N 1 0 312.417 2.425 10 0 DEAERO CCOC(=O)CC[C@H]1CCCN(Cc2nnc(C(C)C)n2C)C1 ZINC000178856320 402547450 /nfs/dbraw/zinc/54/74/50/402547450.db2.gz BMGRBNOZELULRO-CQSZACIVSA-N 1 0 322.453 2.494 10 0 DEAERO C[C@H]([NH3+])C1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000178865956 402548290 /nfs/dbraw/zinc/54/82/90/402548290.db2.gz ZIBUSUZPKXFDKY-NSHDSACASA-N 1 0 316.380 2.415 10 0 DEAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)co2)C1 ZINC000171037911 402551576 /nfs/dbraw/zinc/55/15/76/402551576.db2.gz ILAAQNFVGOPXFT-LBPRGKRZSA-N 1 0 318.377 2.057 10 0 DEAERO CC[C@H]1CN(Cc2cc(-c3ccco3)on2)CC[N@@H+]1C[C@H](C)O ZINC000247007497 402553408 /nfs/dbraw/zinc/55/34/08/402553408.db2.gz BWHHUNPDIYSXRN-ZFWWWQNUSA-N 1 0 319.405 2.212 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cc(F)ccc2F)C1 ZINC000247064622 402555583 /nfs/dbraw/zinc/55/55/83/402555583.db2.gz IRXNGSMEKMAMQP-IAQYHMDHSA-N 1 0 311.376 2.493 10 0 DEAERO CC(C)Oc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000247155637 402558786 /nfs/dbraw/zinc/55/87/86/402558786.db2.gz XMDKUOKXXWFTHS-KGLIPLIRSA-N 1 0 303.406 2.178 10 0 DEAERO CCc1cc(NC(=O)C(=O)N(CC)CCC[NH+](C)C)ccc1C ZINC000189826344 402561165 /nfs/dbraw/zinc/56/11/65/402561165.db2.gz RTJOTRKSQDMPBE-UHFFFAOYSA-N 1 0 319.449 2.296 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1coc(Br)c1 ZINC000247270571 402562291 /nfs/dbraw/zinc/56/22/91/402562291.db2.gz FMWKGZQKSLINES-MWLCHTKSSA-N 1 0 315.211 2.454 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000171190789 402564962 /nfs/dbraw/zinc/56/49/62/402564962.db2.gz FMILXWHQFJZILL-GFCCVEGCSA-N 1 0 313.829 2.278 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000189958670 402568188 /nfs/dbraw/zinc/56/81/88/402568188.db2.gz YPASLEHCGXPLRL-UONOGXRCSA-N 1 0 322.453 2.427 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCOc2ccccc21 ZINC000247538424 402571554 /nfs/dbraw/zinc/57/15/54/402571554.db2.gz YECHKHWNRWYYFC-YCPHGPKFSA-N 1 0 300.402 2.248 10 0 DEAERO C[C@H]([NH2+]CC1(O)CCOCC1)c1cccc(N2CCCC2=O)c1 ZINC000178636853 402520113 /nfs/dbraw/zinc/52/01/13/402520113.db2.gz YGHGTXWDPFZCDG-AWEZNQCLSA-N 1 0 318.417 2.006 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@H](COCc3ccccc3)C2)C1 ZINC000246247564 402520235 /nfs/dbraw/zinc/52/02/35/402520235.db2.gz JOYIZHUQZNVUOT-GVDBMIGSSA-N 1 0 302.418 2.179 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn2ccnc2s1 ZINC000188616868 402521402 /nfs/dbraw/zinc/52/14/02/402521402.db2.gz RUVIWAGEEJMPAH-NWDGAFQWSA-N 1 0 304.419 2.095 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H]1COc2ccccc21 ZINC000246273803 402522045 /nfs/dbraw/zinc/52/20/45/402522045.db2.gz JCOPEMLUQQSADJ-VHDGCEQUSA-N 1 0 303.406 2.102 10 0 DEAERO 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C[C@](O)(CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000182317395 402680646 /nfs/dbraw/zinc/68/06/46/402680646.db2.gz JVVPAWIUNFWQSC-IBGZPJMESA-N 1 0 316.445 2.371 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182344764 402682620 /nfs/dbraw/zinc/68/26/20/402682620.db2.gz RHNKOWRNEBYAIW-NSHDSACASA-N 1 0 320.359 2.296 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\Sc2ccccc2)C[C@@H]1C ZINC000255386890 402685882 /nfs/dbraw/zinc/68/58/82/402685882.db2.gz OELFOCJAMUDHCZ-HPKYGKJESA-N 1 0 320.458 2.206 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000255676924 402694441 /nfs/dbraw/zinc/69/44/41/402694441.db2.gz NWQRKPJORXOAAO-KQQSKNTNSA-N 1 0 322.836 2.268 10 0 DEAERO CC1(C)CCC[C@@H]1[NH2+]CC(=O)NCCN1CCc2ccccc21 ZINC000191850972 402695413 /nfs/dbraw/zinc/69/54/13/402695413.db2.gz MQPTXHXKYCLHRB-KRWDZBQOSA-N 1 0 315.461 2.334 10 0 DEAERO CN(Cc1ccc(F)cc1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261974008 402720779 /nfs/dbraw/zinc/72/07/79/402720779.db2.gz ZJYWFYKKGDZVSU-RVKKMQEKSA-N 1 0 320.408 2.317 10 0 DEAERO COCc1ccsc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000182553813 402699073 /nfs/dbraw/zinc/69/90/73/402699073.db2.gz PPJOAXBEKLHMKG-OCCSQVGLSA-N 1 0 308.447 2.451 10 0 DEAERO Cc1csc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000182568527 402699921 /nfs/dbraw/zinc/69/99/21/402699921.db2.gz OYHPQYZHTOGDBX-XYPWUTKMSA-N 1 0 320.506 2.194 10 0 DEAERO Cc1cnc([C@@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)s1 ZINC000173507283 402700598 /nfs/dbraw/zinc/70/05/98/402700598.db2.gz SHELAARZQHBWPD-KGLIPLIRSA-N 1 0 320.462 2.392 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192441608 402728806 /nfs/dbraw/zinc/72/88/06/402728806.db2.gz SFBONCFMPNAUQR-SJORKVTESA-N 1 0 318.461 2.253 10 0 DEAERO COc1cccc2c1CC[C@H]([NH2+][C@H]1CCC[C@H](C(N)=O)C1)C2 ZINC000192443075 402729233 /nfs/dbraw/zinc/72/92/33/402729233.db2.gz LEZKSGAFEPKDPG-KKUMJFAQSA-N 1 0 302.418 2.186 10 0 DEAERO CCc1cnc(CCNC(=O)N[C@H]2CCC[N@@H+](CC)C2)s1 ZINC000174232561 402732679 /nfs/dbraw/zinc/73/26/79/402732679.db2.gz ZBVOWUHHELPVSF-LBPRGKRZSA-N 1 0 310.467 2.032 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)Oc2ccccc2F)C1 ZINC000174235562 402733200 /nfs/dbraw/zinc/73/32/00/402733200.db2.gz LPYUAHGYJVIAEX-KGLIPLIRSA-N 1 0 323.412 2.377 10 0 DEAERO CCO[C@H](CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C(C)C ZINC000174324521 402736532 /nfs/dbraw/zinc/73/65/32/402736532.db2.gz FREGVLPPANEOQL-HZPDHXFCSA-N 1 0 309.454 2.093 10 0 DEAERO Cn1c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)cc2sc1=O ZINC000192560383 402737275 /nfs/dbraw/zinc/73/72/75/402737275.db2.gz GXLBKDJPBOKNPE-ZDUSSCGKSA-N 1 0 305.447 2.031 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)[C@@H]1CCCO1 ZINC000183087034 402737771 /nfs/dbraw/zinc/73/77/71/402737771.db2.gz WGLGVOSXLWHIEN-OCCSQVGLSA-N 1 0 306.431 2.282 10 0 DEAERO COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183119946 402740749 /nfs/dbraw/zinc/74/07/49/402740749.db2.gz MCNVJFMSOAALKV-DYVFJYSZSA-N 1 0 318.417 2.132 10 0 DEAERO Cn1c2ccc(C[NH2+][C@H]3CC[C@@H](CO)CC3)cc2sc1=O ZINC000192628607 402741030 /nfs/dbraw/zinc/74/10/30/402741030.db2.gz ZZUPMWNFFONDSU-AULYBMBSSA-N 1 0 306.431 2.241 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N(C)CCCOc1ccccc1)[C@@H]1CCCO1 ZINC000183124596 402741086 /nfs/dbraw/zinc/74/10/86/402741086.db2.gz VCPRSCAAYOHKKK-WBVHZDCISA-N 1 0 320.433 2.071 10 0 DEAERO CC(C)CC[C@](C)(O)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000174479271 402743389 /nfs/dbraw/zinc/74/33/89/402743389.db2.gz AXAFHBIRCNYXMT-MJGOQNOKSA-N 1 0 320.477 2.463 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(F)(F)c1ncccc1C ZINC000192672862 402744028 /nfs/dbraw/zinc/74/40/28/402744028.db2.gz AHARBCFCDIAATK-ZDUSSCGKSA-N 1 0 311.376 2.425 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000174611762 402748343 /nfs/dbraw/zinc/74/83/43/402748343.db2.gz TYMAPVJTZFSSQW-INIZCTEOSA-N 1 0 304.438 2.204 10 0 DEAERO CC[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1)c1ccccc1 ZINC000174622256 402748851 /nfs/dbraw/zinc/74/88/51/402748851.db2.gz QAXLXGAXCYQPDT-NJAFHUGGSA-N 1 0 318.461 2.484 10 0 DEAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000263239842 402749012 /nfs/dbraw/zinc/74/90/12/402749012.db2.gz OKQZYRJAQUMYFU-CABZTGNLSA-N 1 0 308.731 2.029 10 0 DEAERO C[C@@H](CC(=O)c1ccco1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183606876 402781284 /nfs/dbraw/zinc/78/12/84/402781284.db2.gz FTOFGTSOVBQHRB-NSHDSACASA-N 1 0 301.346 2.132 10 0 DEAERO Cc1cnc(CN(Cc2scnc2C)C[C@H]2CC[NH2+]C2)o1 ZINC000263240389 402749510 /nfs/dbraw/zinc/74/95/10/402749510.db2.gz LAYSEIHRDWHPIA-ZDUSSCGKSA-N 1 0 306.435 2.360 10 0 DEAERO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000174788100 402757590 /nfs/dbraw/zinc/75/75/90/402757590.db2.gz BGRIBPCMCBHGDC-RDJZCZTQSA-N 1 0 300.406 2.032 10 0 DEAERO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000183336512 402758180 /nfs/dbraw/zinc/75/81/80/402758180.db2.gz WJASMHMLKAZORU-JYJNAYRXSA-N 1 0 324.490 2.440 10 0 DEAERO COC(=O)c1coc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000183388130 402762649 /nfs/dbraw/zinc/76/26/49/402762649.db2.gz YSEKVIBBODPSFH-CYBMUJFWSA-N 1 0 322.405 2.308 10 0 DEAERO COC[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174942418 402765009 /nfs/dbraw/zinc/76/50/09/402765009.db2.gz OSQBAAUSTYKPAE-DOTOQJQBSA-N 1 0 304.434 2.249 10 0 DEAERO CCC[NH+]1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000193143355 402766753 /nfs/dbraw/zinc/76/67/53/402766753.db2.gz IWQFZSHXIVVIGH-UHFFFAOYSA-N 1 0 316.380 2.384 10 0 DEAERO C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)N(C)c1ccccc1 ZINC000183514672 402772879 /nfs/dbraw/zinc/77/28/79/402772879.db2.gz AWNVKFDAIDUCEH-CQSZACIVSA-N 1 0 312.417 2.402 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1ccccc1F ZINC000175053226 402774901 /nfs/dbraw/zinc/77/49/01/402774901.db2.gz SRQCIVWCZQGPAW-JKSUJKDBSA-N 1 0 319.424 2.001 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cccnc1Cl ZINC000175056167 402775408 /nfs/dbraw/zinc/77/54/08/402775408.db2.gz UXBGVQWEOGWBJV-CHWSQXEVSA-N 1 0 322.840 2.232 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000183573231 402777181 /nfs/dbraw/zinc/77/71/81/402777181.db2.gz MWDZXKVFMNXHNQ-MGPQQGTHSA-N 1 0 309.454 2.211 10 0 DEAERO CC1(C)CCC(NC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262386857 402724931 /nfs/dbraw/zinc/72/49/31/402724931.db2.gz XOMXHEDMBLLPKB-UHFFFAOYSA-N 1 0 304.438 2.047 10 0 DEAERO Cc1cc(NC(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)n(C)n1 ZINC000192367231 402725245 /nfs/dbraw/zinc/72/52/45/402725245.db2.gz FGIVXCCAAROKDE-CQSZACIVSA-N 1 0 314.389 2.040 10 0 DEAERO CCOc1cccnc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000175909556 402841991 /nfs/dbraw/zinc/84/19/91/402841991.db2.gz CXOVPBLSNYWHLV-UHFFFAOYSA-N 1 0 305.422 2.475 10 0 DEAERO CCOC(=O)c1ccc(NC(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000194310888 402791571 /nfs/dbraw/zinc/79/15/71/402791571.db2.gz OEJRXZWDNSLREY-HNNXBMFYSA-N 1 0 319.405 2.469 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NCCCOC(F)F)CC1 ZINC000194333612 402793068 /nfs/dbraw/zinc/79/30/68/402793068.db2.gz SAXJGHAWHWDLKS-UHFFFAOYSA-N 1 0 307.385 2.035 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](COC)c1ccc(C)o1 ZINC000175274299 402793630 /nfs/dbraw/zinc/79/36/30/402793630.db2.gz LFIAABHLRRPFES-GXTWGEPZSA-N 1 0 311.426 2.305 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(C)Cc1ccccc1 ZINC000175342234 402798425 /nfs/dbraw/zinc/79/84/25/402798425.db2.gz PBYNZURMAMKFPR-KRWDZBQOSA-N 1 0 303.450 2.061 10 0 DEAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)NCC(F)(F)F ZINC000194516960 402800914 /nfs/dbraw/zinc/80/09/14/402800914.db2.gz CPFDALZEFJABAD-SECBINFHSA-N 1 0 301.312 2.111 10 0 DEAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)NCC(F)(F)F ZINC000194516949 402801026 /nfs/dbraw/zinc/80/10/26/402801026.db2.gz CPFDALZEFJABAD-VIFPVBQESA-N 1 0 301.312 2.111 10 0 DEAERO CCN1CCCC[C@H]1C(=O)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000183855869 402801747 /nfs/dbraw/zinc/80/17/47/402801747.db2.gz VLEHFNCJFPRRHH-LHSJRXKWSA-N 1 0 314.495 2.011 10 0 DEAERO CCN(Cc1ccc(OC)cc1OC)C[C@H](O)C(F)(F)F ZINC000183930718 402805674 /nfs/dbraw/zinc/80/56/74/402805674.db2.gz LHYROTYCKMEJTD-ZDUSSCGKSA-N 1 0 307.312 2.449 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCCOCCc1ccccc1 ZINC000194693261 402811088 /nfs/dbraw/zinc/81/10/88/402811088.db2.gz SSXGNDSCULILSI-KRWDZBQOSA-N 1 0 304.434 2.236 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000194695175 402811183 /nfs/dbraw/zinc/81/11/83/402811183.db2.gz QYSYEQVUCFZDCH-LBPRGKRZSA-N 1 0 316.323 2.295 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000194702268 402811244 /nfs/dbraw/zinc/81/12/44/402811244.db2.gz ROSRITZBLOQOJF-KCXAZCMYSA-N 1 0 315.417 2.105 10 0 DEAERO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1OC(F)F ZINC000194697623 402811263 /nfs/dbraw/zinc/81/12/63/402811263.db2.gz YCYASTVPDATESN-NSHDSACASA-N 1 0 314.332 2.121 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)NCc3ccoc3)cc2)CC1 ZINC000175690211 402825551 /nfs/dbraw/zinc/82/55/51/402825551.db2.gz NCUWXGVLBKBMPH-UHFFFAOYSA-N 1 0 313.401 2.352 10 0 DEAERO Cn1c2ccc(CN3CCC([NH+](C)C)CC3)cc2sc1=O ZINC000194990133 402825548 /nfs/dbraw/zinc/82/55/48/402825548.db2.gz IQCUDMSYMAWHLV-UHFFFAOYSA-N 1 0 305.447 2.126 10 0 DEAERO C[C@@H]1C[C@@H](C(=O)NCC2CC[NH+](CCO)CC2)CC(C)(C)C1 ZINC000184233635 402828577 /nfs/dbraw/zinc/82/85/77/402828577.db2.gz VIWINJXNVRZKLS-GDBMZVCRSA-N 1 0 310.482 2.269 10 0 DEAERO C[C@@H](O)c1ccc(CNC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000195090223 402831195 /nfs/dbraw/zinc/83/11/95/402831195.db2.gz XWJKKXGHWLURRG-CQSZACIVSA-N 1 0 317.433 2.120 10 0 DEAERO CC(C)n1nnnc1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000195097841 402831759 /nfs/dbraw/zinc/83/17/59/402831759.db2.gz LSDBUNTVWHWTKW-UHFFFAOYSA-N 1 0 320.485 2.342 10 0 DEAERO C[S@@](=O)c1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000175785792 402832153 /nfs/dbraw/zinc/83/21/53/402832153.db2.gz XVXVONGQOITMAL-OAQYLSRUSA-N 1 0 309.435 2.031 10 0 DEAERO CCCCOC[C@@H](O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000195200168 402836535 /nfs/dbraw/zinc/83/65/35/402836535.db2.gz RAONSZQYCVNEIX-PKOBYXMFSA-N 1 0 319.445 2.338 10 0 DEAERO CCn1cc(C2CC[NH+]([C@H]3CCN(C(C)C)C3=O)CC2)cn1 ZINC000175147880 402783500 /nfs/dbraw/zinc/78/35/00/402783500.db2.gz WCEAXTQZHNRWJM-INIZCTEOSA-N 1 0 304.438 2.092 10 0 DEAERO C[C@H]1CC[N@H+](CCC(=O)N2CCOCC2)[C@@H]1c1cccc(F)c1 ZINC000175150845 402783528 /nfs/dbraw/zinc/78/35/28/402783528.db2.gz DNNXGPVAFBQDCH-KSSFIOAISA-N 1 0 320.408 2.458 10 0 DEAERO CCOc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000195311945 402841656 /nfs/dbraw/zinc/84/16/56/402841656.db2.gz IFBGRPWJXGJMEL-CQSZACIVSA-N 1 0 304.390 2.014 10 0 DEAERO O=C(c1cccnc1SC(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195318416 402841700 /nfs/dbraw/zinc/84/17/00/402841700.db2.gz GPKVRPXVZBLXPG-SNVBAGLBSA-N 1 0 313.373 2.317 10 0 DEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1[C@H]3CCO[C@H]3C13CCC3)CC2 ZINC000194145017 402785793 /nfs/dbraw/zinc/78/57/93/402785793.db2.gz MWQCDLLUUHTOAQ-LUYZLQTOSA-N 1 0 316.449 2.264 10 0 DEAERO COCC[N@@H+]1CCN(Cc2csc([C@@H](C)OC)n2)C[C@@H]1C ZINC000175189777 402786608 /nfs/dbraw/zinc/78/66/08/402786608.db2.gz QKHWXGIFJZFQNZ-QWHCGFSZSA-N 1 0 313.467 2.003 10 0 DEAERO CC[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Oc1ccccc1F ZINC000175957013 402844993 /nfs/dbraw/zinc/84/49/93/402844993.db2.gz AUTWEHLJCQEPFX-KGLIPLIRSA-N 1 0 323.412 2.329 10 0 DEAERO O[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515916 402848954 /nfs/dbraw/zinc/84/89/54/402848954.db2.gz HYJAURCAAHAANF-MSOLQXFVSA-N 1 0 311.429 2.419 10 0 DEAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc2[nH]ccc2c1 ZINC000195527726 402850630 /nfs/dbraw/zinc/85/06/30/402850630.db2.gz AYRZWHMZBFROCP-OAHLLOKOSA-N 1 0 316.405 2.136 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccco2)N(C)C)C12CCOCC2 ZINC000249045988 286285064 /nfs/dbraw/zinc/28/50/64/286285064.db2.gz VVMHGXSETIEGIB-DJIMGWMZSA-N 1 0 322.449 2.446 10 0 DEAERO COc1cc(C[NH2+]CCC(C)(C)O)cc(Br)c1O ZINC000274746263 403083819 /nfs/dbraw/zinc/08/38/19/403083819.db2.gz LKNUIJDFZPAXCT-UHFFFAOYSA-N 1 0 318.211 2.414 10 0 DEAERO O[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)COc1ccccc1 ZINC000282032483 403115315 /nfs/dbraw/zinc/11/53/15/403115315.db2.gz LACSNRHKBSBDOV-DOTOQJQBSA-N 1 0 305.418 2.365 10 0 DEAERO NC(=O)N1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000282183178 403130205 /nfs/dbraw/zinc/13/02/05/403130205.db2.gz GLDQLZFGFOODJD-UHFFFAOYSA-N 1 0 318.240 2.143 10 0 DEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1sccc1Br ZINC000282216295 403133213 /nfs/dbraw/zinc/13/32/13/403133213.db2.gz DRRVARWJVQKOHF-VXNVDRBHSA-N 1 0 303.225 2.267 10 0 DEAERO C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cn[nH]c1 ZINC000285084462 403277677 /nfs/dbraw/zinc/27/76/77/403277677.db2.gz JSWBJIXJABRAMI-QAPCUYQASA-N 1 0 314.433 2.351 10 0 DEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cscc1Br ZINC000285852533 403394708 /nfs/dbraw/zinc/39/47/08/403394708.db2.gz IDMFDVNPMSCVSD-GMSGAONNSA-N 1 0 303.225 2.267 10 0 DEAERO CNC(=O)[C@H]1C[N@@H+]([C@H]2C=CCCCCC2)C[C@@H]1c1cnn(C)c1 ZINC000293511655 403491676 /nfs/dbraw/zinc/49/16/76/403491676.db2.gz IARWURPWQFAERU-BBWFWOEESA-N 1 0 316.449 2.070 10 0 DEAERO Cc1nnc2ccc(NC[C@@]3([NH+](C)C)CCC[C@H](C)C3)nn12 ZINC000301070591 403585861 /nfs/dbraw/zinc/58/58/61/403585861.db2.gz GMUAGRNLCQLKTL-BLLLJJGKSA-N 1 0 302.426 2.355 10 0 DEAERO O=C1COc2ccc(C[N@@H+]3CCOC[C@@H](C4CCC4)C3)cc2N1 ZINC000293997004 403619665 /nfs/dbraw/zinc/61/96/65/403619665.db2.gz SMRDUZDWTLDLIR-HNNXBMFYSA-N 1 0 316.401 2.266 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(c2cncc(-n3nc(C)cc3C)n2)C1 ZINC000301553072 403646103 /nfs/dbraw/zinc/64/61/03/403646103.db2.gz RLGTXSLSJOIKMO-HNNXBMFYSA-N 1 0 314.437 2.057 10 0 DEAERO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)cs3)C[C@H]21 ZINC000301633293 403656600 /nfs/dbraw/zinc/65/66/00/403656600.db2.gz DGUJWICNQPQFEO-CABCVRRESA-N 1 0 301.415 2.329 10 0 DEAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CCN(c3cc(C)[nH]n3)CC2)C1(C)C ZINC000333061421 403657696 /nfs/dbraw/zinc/65/76/96/403657696.db2.gz IRIJGKKQQLWQNI-VBNZEHGJSA-N 1 0 306.454 2.336 10 0 DEAERO O=C(Nc1cccc2c1OCCO2)N1CCC2(CC[NH2+]C2)CC1 ZINC000333112621 403667882 /nfs/dbraw/zinc/66/78/82/403667882.db2.gz GTOISUBMSQADNM-UHFFFAOYSA-N 1 0 317.389 2.065 10 0 DEAERO CN(C(=O)Nc1cccc2c1OCCO2)[C@H]1CCC[NH2+]CC1 ZINC000333114449 403669188 /nfs/dbraw/zinc/66/91/88/403669188.db2.gz HBWMTQMTMHYEMH-LBPRGKRZSA-N 1 0 305.378 2.064 10 0 DEAERO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N[C@H]1CCCC[NH2+]C1 ZINC000333506127 403768975 /nfs/dbraw/zinc/76/89/75/403768975.db2.gz DWEAJWSXPOOTGR-GJZGRUSLSA-N 1 0 309.454 2.310 10 0 DEAERO CC[C@@H]1CN(c2ncc(C(F)(F)F)s2)CC[N@@H+]1C[C@@H](C)O ZINC000302781889 403725196 /nfs/dbraw/zinc/72/51/96/403725196.db2.gz SHEMUHTXDPDNRW-NXEZZACHSA-N 1 0 323.384 2.443 10 0 DEAERO CC[N@H+](C)[C@@H]1CCN(c2ccc3nnc(-c4ccccc4)n3n2)C1 ZINC000302785796 403726272 /nfs/dbraw/zinc/72/62/72/403726272.db2.gz VKZSPFHLKYGVDP-OAHLLOKOSA-N 1 0 322.416 2.322 10 0 DEAERO O=C(N[C@@H]1CCOC2(CCCC2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333446109 403753194 /nfs/dbraw/zinc/75/31/94/403753194.db2.gz WVEWFKUDBJRQLX-OAHLLOKOSA-N 1 0 321.465 2.263 10 0 DEAERO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000333471331 403759768 /nfs/dbraw/zinc/75/97/68/403759768.db2.gz AUIIIAHFSLJHLK-CYBMUJFWSA-N 1 0 312.417 2.235 10 0 DEAERO C[C@H](NC(=O)N1CCO[C@@H](C2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000333474520 403760978 /nfs/dbraw/zinc/76/09/78/403760978.db2.gz BGOSEOJXRGEYIZ-BHYGNILZSA-N 1 0 323.481 2.365 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@H](C3CCCCC3)C2)C1 ZINC000333660827 403807063 /nfs/dbraw/zinc/80/70/63/403807063.db2.gz LMZPHVZDNFTCLI-BMFZPTHFSA-N 1 0 309.454 2.105 10 0 DEAERO CC(C)C[C@@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)CCO1 ZINC000333693239 403818873 /nfs/dbraw/zinc/81/88/73/403818873.db2.gz CRHHFMOJZOOJEP-HZPDHXFCSA-N 1 0 323.481 2.365 10 0 DEAERO CC(C)(C)OC(=O)N([C@H](C(=[NH2+])NO)c1ccncc1)C1CC1 ZINC000409442348 403826873 /nfs/dbraw/zinc/82/68/73/403826873.db2.gz UVDXWURSDRUMOR-LBPRGKRZSA-N 1 0 306.366 2.478 10 0 DEAERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)[C@@H]1CCCCO1 ZINC000333630436 403797470 /nfs/dbraw/zinc/79/74/70/403797470.db2.gz ARBQZZULUUTLSD-XIRDDKMYSA-N 1 0 318.417 2.255 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000333650531 403803915 /nfs/dbraw/zinc/80/39/15/403803915.db2.gz JSLDRCDWCUWYCY-PVAVHDDUSA-N 1 0 316.449 2.271 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333767128 403852754 /nfs/dbraw/zinc/85/27/54/403852754.db2.gz BLZCSCNKUQGXAI-CABCVRRESA-N 1 0 309.454 2.118 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333767134 403853442 /nfs/dbraw/zinc/85/34/42/403853442.db2.gz BLZCSCNKUQGXAI-GJZGRUSLSA-N 1 0 309.454 2.118 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000333802942 403865768 /nfs/dbraw/zinc/86/57/68/403865768.db2.gz OIQHVDXVACJSKQ-ZXNRTRJTSA-N 1 0 305.466 2.356 10 0 DEAERO Cc1cnc([C@@H](C)CNC(=O)N2CCC3(CC[NH2+]C3)CC2)s1 ZINC000333830115 403875964 /nfs/dbraw/zinc/87/59/64/403875964.db2.gz SRCVSLXTIYMRMD-LBPRGKRZSA-N 1 0 322.478 2.340 10 0 DEAERO CC1(CNC(=O)N[C@@H]2CCCC[NH2+]C2)Cc2ccccc2C1 ZINC000333836917 403879224 /nfs/dbraw/zinc/87/92/24/403879224.db2.gz ULCUKHGIUJTHMD-MRXNPFEDSA-N 1 0 301.434 2.233 10 0 DEAERO C[C@H]1Oc2ccccc2[C@@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333857245 403887859 /nfs/dbraw/zinc/88/78/59/403887859.db2.gz RFVQMUXQXMCNSC-IUODEOHRSA-N 1 0 301.390 2.046 10 0 DEAERO CC(C)c1csc(CNC(=O)N2CCC3(CC[NH2+]3)CC2)n1 ZINC000333861960 403889028 /nfs/dbraw/zinc/88/90/28/403889028.db2.gz SHYXGAZCJZPVMW-UHFFFAOYSA-N 1 0 308.451 2.304 10 0 DEAERO C([NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)C1(N2CCOCC2)CC1 ZINC000341372544 403938692 /nfs/dbraw/zinc/93/86/92/403938692.db2.gz ODPAMZWJNRAAHO-BBWFWOEESA-N 1 0 308.466 2.036 10 0 DEAERO CN1CC[N@H+](C)C[C@@H]1CNCc1cc(Cl)sc1Cl ZINC000312599355 403973039 /nfs/dbraw/zinc/97/30/39/403973039.db2.gz KIENWOSFZRLQGN-JTQLQIEISA-N 1 0 308.278 2.390 10 0 DEAERO CC1(C)COC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000313154367 403976848 /nfs/dbraw/zinc/97/68/48/403976848.db2.gz WTYPGCFKLHMSPK-ROUUACIJSA-N 1 0 318.461 2.292 10 0 DEAERO C[C@H]1CN(C[C@H](O)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000323892147 404096551 /nfs/dbraw/zinc/09/65/51/404096551.db2.gz GALHLXGFMIILOJ-HIFRSBDPSA-N 1 0 316.367 2.364 10 0 DEAERO CC(=O)c1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000369330464 404051127 /nfs/dbraw/zinc/05/11/27/404051127.db2.gz LUIKVCKYIOYSSW-UHFFFAOYSA-N 1 0 304.390 2.430 10 0 DEAERO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000329144343 404243375 /nfs/dbraw/zinc/24/33/75/404243375.db2.gz WGFOCIDVQIWHHR-ATNYBXOESA-N 1 0 318.465 2.498 10 0 DEAERO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC12CCC2 ZINC000329157354 404248059 /nfs/dbraw/zinc/24/80/59/404248059.db2.gz WFSBXTRYFVUDGS-KGLIPLIRSA-N 1 0 307.438 2.272 10 0 DEAERO C[C@]12CCCN1C[C@@H](c1noc(CC[C@H]3CCCCO3)n1)OC2 ZINC000329590342 404385892 /nfs/dbraw/zinc/38/58/92/404385892.db2.gz NOJNBEYRMOCPFG-JKIFEVAISA-N 1 0 321.421 2.497 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000291873273 404559210 /nfs/dbraw/zinc/55/92/10/404559210.db2.gz HQZACTWQPQEPBU-UHFFFAOYSA-N 1 0 303.406 2.340 10 0 DEAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1coc(Br)c1 ZINC000373934554 404646027 /nfs/dbraw/zinc/64/60/27/404646027.db2.gz AZEASVJXGQEUGZ-GHMZBOCLSA-N 1 0 313.195 2.399 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H]1CC3(CC3)C(=O)O1)CC2 ZINC000365457352 404665152 /nfs/dbraw/zinc/66/51/52/404665152.db2.gz JDMRYISHPRMPHU-QGZVFWFLSA-N 1 0 313.397 2.386 10 0 DEAERO Brc1ccc2ncc(CN[C@H]3CCCC[NH2+]C3)n2c1 ZINC000415072916 404801352 /nfs/dbraw/zinc/80/13/52/404801352.db2.gz XIWPEDBLTBBEOE-LBPRGKRZSA-N 1 0 323.238 2.329 10 0 DEAERO c1cc(N2CCCC2)ncc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000378421433 404959920 /nfs/dbraw/zinc/95/99/20/404959920.db2.gz IYYXCRYIQMARSU-WMZOPIPTSA-N 1 0 317.433 2.110 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCOC2(C)C)cc1 ZINC000451238818 404915228 /nfs/dbraw/zinc/91/52/28/404915228.db2.gz FAQGVOQRLFCCMM-XHDPSFHLSA-N 1 0 304.390 2.373 10 0 DEAERO COC[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000367114801 404935894 /nfs/dbraw/zinc/93/58/94/404935894.db2.gz QMNFTFOVPSDASS-DZKIICNBSA-N 1 0 311.397 2.457 10 0 DEAERO C[C@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH3+] ZINC000423942033 404938420 /nfs/dbraw/zinc/93/84/20/404938420.db2.gz FGEQBWMHEANUEH-UFBFGSQYSA-N 1 0 303.189 2.178 10 0 DEAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000367122495 404938800 /nfs/dbraw/zinc/93/88/00/404938800.db2.gz BSQZSDALZVPRDQ-RTBURBONSA-N 1 0 316.445 2.319 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cnn2ccccc12 ZINC000378373558 404946561 /nfs/dbraw/zinc/94/65/61/404946561.db2.gz TZVFHFNUIOITCF-BPQIPLTHSA-N 1 0 314.433 2.018 10 0 DEAERO C[C@@H](CCNC[C@@H](O)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000379647575 405028485 /nfs/dbraw/zinc/02/84/85/405028485.db2.gz KQYNTJJDIKIYNK-GXTWGEPZSA-N 1 0 304.356 2.410 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(Br)cc1 ZINC000384209333 405032878 /nfs/dbraw/zinc/03/28/78/405032878.db2.gz CFUAHAFNXSKXER-GXFFZTMASA-N 1 0 311.223 2.453 10 0 DEAERO C/C=C\c1ccc(OCC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c(OC)c1 ZINC000424072851 404995927 /nfs/dbraw/zinc/99/59/27/404995927.db2.gz GNSBMIKJNJMJIB-AVXNYWLKSA-N 1 0 318.417 2.364 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)CC(=O)c2ccccc2F)C1 ZINC000361364070 405040282 /nfs/dbraw/zinc/04/02/82/405040282.db2.gz ABSLJZCCSLYAJJ-KBPBESRZSA-N 1 0 320.408 2.493 10 0 DEAERO OC1(C[NH+]2CCC(c3nnc4ccccn43)CC2)CCCC1 ZINC000407951229 405074016 /nfs/dbraw/zinc/07/40/16/405074016.db2.gz RVERDMQYUSMTRH-UHFFFAOYSA-N 1 0 300.406 2.214 10 0 DEAERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2nnnn2C(C)(C)C)C1 ZINC000407979634 405082029 /nfs/dbraw/zinc/08/20/29/405082029.db2.gz DEQYHXMKYUYNCJ-BARDWOONSA-N 1 0 321.469 2.190 10 0 DEAERO CC(=O)c1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000408025448 405091742 /nfs/dbraw/zinc/09/17/42/405091742.db2.gz BWGAUTNWIQPZOO-CXAGYDPISA-N 1 0 315.417 2.306 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NC[C@@](C)(OC)C2CC2)CC1 ZINC000361515580 405110959 /nfs/dbraw/zinc/11/09/59/405110959.db2.gz ZFZZEXQXYTYLII-QGZVFWFLSA-N 1 0 311.470 2.223 10 0 DEAERO C[C@H]1CCOCCN1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000367653803 405114735 /nfs/dbraw/zinc/11/47/35/405114735.db2.gz AQXOGURFMZDKKU-NSHDSACASA-N 1 0 321.402 2.452 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)C(=O)c2ccc(O)cc2)CC1 ZINC000436902287 405159028 /nfs/dbraw/zinc/15/90/28/405159028.db2.gz FBSQIXVWRKXINL-UHFFFAOYSA-N 1 0 318.417 2.155 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2O)OC(C)(C)C3)CC[N@@H+]1C ZINC000408410588 405200415 /nfs/dbraw/zinc/20/04/15/405200415.db2.gz VCFIFIAMXSZUQM-DGCLKSJQSA-N 1 0 318.417 2.318 10 0 DEAERO COc1cc(C2(C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)CC2)ccc1C ZINC000453043371 405278970 /nfs/dbraw/zinc/27/89/70/405278970.db2.gz WVVIILRMTBIDDX-GOEBONIOSA-N 1 0 314.429 2.198 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453056625 405279840 /nfs/dbraw/zinc/27/98/40/405279840.db2.gz GNDFXYJXIOWSSM-XJKSGUPXSA-N 1 0 321.490 2.440 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1csc([C@H](C)OC)n1 ZINC000438411462 405245963 /nfs/dbraw/zinc/24/59/63/405245963.db2.gz YRFZMHMISQHANB-WCQYABFASA-N 1 0 311.451 2.341 10 0 DEAERO [NH3+]C[C@@H]1CCCCN1c1ccc(I)cn1 ZINC000420167237 405291400 /nfs/dbraw/zinc/29/14/00/405291400.db2.gz JLCPGKZWLPJJBP-JTQLQIEISA-N 1 0 317.174 2.004 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)Nc2ccc(N3CCC3=O)cc2)CC[N@@H+]1C ZINC000439970430 405298228 /nfs/dbraw/zinc/29/82/28/405298228.db2.gz ZZSOSOQDCONBQR-TZMCWYRMSA-N 1 0 316.405 2.028 10 0 DEAERO c1ccc(C[N@@H+]2CCCO[C@H](CN3CC[C@@]34CCOC4)C2)cc1 ZINC000421016988 405431149 /nfs/dbraw/zinc/43/11/49/405431149.db2.gz JPVFPBBLGWESEE-OALUTQOASA-N 1 0 316.445 2.142 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)OCc2ccc(F)cc2)C1 ZINC000448765413 405446167 /nfs/dbraw/zinc/44/61/67/405446167.db2.gz XUHGUKYKSQIVMR-DZGCQCFKSA-N 1 0 308.397 2.189 10 0 DEAERO Cc1ccn(CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000448896895 405461120 /nfs/dbraw/zinc/46/11/20/405461120.db2.gz HRNUWHULGPQDPN-KRWDZBQOSA-N 1 0 318.465 2.306 10 0 DEAERO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(S(C)(=O)=O)c1 ZINC000449032310 405508348 /nfs/dbraw/zinc/50/83/48/405508348.db2.gz XACXYWAFFYUMRA-MRXNPFEDSA-N 1 0 324.490 2.396 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nn(C)c(C)c3Cl)[C@H]2C1 ZINC000577853963 405527762 /nfs/dbraw/zinc/52/77/62/405527762.db2.gz KIKWRHOMTABECW-MELADBBJSA-N 1 0 324.856 2.119 10 0 DEAERO Cc1nc(C[NH2+][C@H]2CN(C)C[C@@H]2C)sc1Br ZINC000449404364 405548467 /nfs/dbraw/zinc/54/84/67/405548467.db2.gz ZHSOQNLHTXUTJU-CBAPKCEASA-N 1 0 304.257 2.254 10 0 DEAERO CCc1noc(C)c1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458819078 405608690 /nfs/dbraw/zinc/60/86/90/405608690.db2.gz OOERZYIGCSUWQF-UHFFFAOYSA-N 1 0 310.442 2.465 10 0 DEAERO CC(C)(C[NH2+]C1CC(OCc2ccccc2)C1)N1CCOCC1 ZINC000493915361 405610020 /nfs/dbraw/zinc/61/00/20/405610020.db2.gz DJTKQLAWDQHXIF-UHFFFAOYSA-N 1 0 318.461 2.435 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H](C)C[C@H](C)O)c1Br ZINC000638678579 405612777 /nfs/dbraw/zinc/61/27/77/405612777.db2.gz DEUVXKWPMLBAOK-YUMQZZPRSA-N 1 0 323.256 2.411 10 0 DEAERO Cc1c(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nnn1C(C)C ZINC000557837389 405632021 /nfs/dbraw/zinc/63/20/21/405632021.db2.gz SBZSAOXEJIOMDY-ZDUSSCGKSA-N 1 0 319.453 2.114 10 0 DEAERO c1ccc(N2CC[C@H](C[NH2+]CCOC[C@H]3CCCO3)C2)cc1 ZINC000638633952 405583158 /nfs/dbraw/zinc/58/31/58/405583158.db2.gz HBEAHTUTKHONTA-SJLPKXTDSA-N 1 0 304.434 2.298 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)c2ccc(Br)c(F)c2)C[NH2+]1 ZINC000638651814 405595922 /nfs/dbraw/zinc/59/59/22/405595922.db2.gz HASZRAHKPHXRAP-SCZZXKLOSA-N 1 0 315.186 2.459 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)c2cc(F)cc(Br)c2)C[NH2+]1 ZINC000638652207 405597190 /nfs/dbraw/zinc/59/71/90/405597190.db2.gz IGZDCICLXUGGGC-UFBFGSQYSA-N 1 0 315.186 2.459 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1 ZINC000580545175 405639615 /nfs/dbraw/zinc/63/96/15/405639615.db2.gz FYVLMGXOOHYBHX-WBVHZDCISA-N 1 0 321.417 2.176 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000494404607 405691682 /nfs/dbraw/zinc/69/16/82/405691682.db2.gz KTMGDYZEVKNOQZ-UHFFFAOYSA-N 1 0 304.434 2.188 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](CCCc2ccsc2)CC1 ZINC000494462906 405703117 /nfs/dbraw/zinc/70/31/17/405703117.db2.gz HSXOFLRUKDHNCJ-UHFFFAOYSA-N 1 0 310.463 2.250 10 0 DEAERO CC(C)COCCC(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000494770704 405761067 /nfs/dbraw/zinc/76/10/67/405761067.db2.gz PNRYUXQSMOMPET-UHFFFAOYSA-N 1 0 322.449 2.345 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc(F)cc2Br)C[C@@H]1C[NH3+] ZINC000638884823 405739677 /nfs/dbraw/zinc/73/96/77/405739677.db2.gz FIJOEBOOJHMKOY-BDAKNGLRSA-N 1 0 315.186 2.255 10 0 DEAERO C[C@H]1CN(C(=O)Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000638889218 405742540 /nfs/dbraw/zinc/74/25/40/405742540.db2.gz PFRFCKBBUCYVEX-JQWIXIFHSA-N 1 0 311.223 2.045 10 0 DEAERO O=S(=O)(NCC[NH2+][C@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000584125706 405831267 /nfs/dbraw/zinc/83/12/67/405831267.db2.gz XVAUMGJQOBYWLD-CVEARBPZSA-N 1 0 308.447 2.133 10 0 DEAERO C[C@@H](CC1CCC1)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638994803 405807827 /nfs/dbraw/zinc/80/78/27/405807827.db2.gz OXYUMNWHIBQMRB-WMLDXEAASA-N 1 0 303.450 2.141 10 0 DEAERO COc1nsc(C[NH2+]CCC[C@@H](C)O)c1Br ZINC000639112186 405890214 /nfs/dbraw/zinc/89/02/14/405890214.db2.gz JGIHUAIZGMHFJW-SSDOTTSWSA-N 1 0 309.229 2.165 10 0 DEAERO COc1cccc(C2=CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000530988038 405890371 /nfs/dbraw/zinc/89/03/71/405890371.db2.gz UZPZZHGPAPZBIH-INIZCTEOSA-N 1 0 300.402 2.263 10 0 DEAERO C[NH+](C)CCN1CCC(NC(=O)NCC2CCCCCC2)CC1 ZINC000457634148 405929082 /nfs/dbraw/zinc/92/90/82/405929082.db2.gz HLVFSIQCBSQVMP-UHFFFAOYSA-N 1 0 324.513 2.282 10 0 DEAERO c1cc2c(cc1C1([NH2+]C[C@H]3COCCO3)CCCC1)OCCO2 ZINC000450522732 405941024 /nfs/dbraw/zinc/94/10/24/405941024.db2.gz ZQWDAHQLNYNEHL-HNNXBMFYSA-N 1 0 319.401 2.232 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000457686531 405949874 /nfs/dbraw/zinc/94/98/74/405949874.db2.gz AGFLGSDZTQZOSW-ZDUSSCGKSA-N 1 0 316.401 2.162 10 0 DEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000423681012 405905791 /nfs/dbraw/zinc/90/57/91/405905791.db2.gz SHSFACWWAWRIJF-PRHODGIISA-N 1 0 303.189 2.320 10 0 DEAERO c1c(C[N@H+](CC2CC2)CC2CCC2)nnn1C[C@@H]1CCOC1 ZINC000639129567 405909563 /nfs/dbraw/zinc/90/95/63/405909563.db2.gz UUUUUJJKCBEVNO-INIZCTEOSA-N 1 0 304.438 2.327 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000457622344 405923905 /nfs/dbraw/zinc/92/39/05/405923905.db2.gz LRENZXYJFICFPY-HOTGVXAUSA-N 1 0 318.417 2.384 10 0 DEAERO O[C@H](C[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl)Cn1ccnn1 ZINC000459703390 406011430 /nfs/dbraw/zinc/01/14/30/406011430.db2.gz SJTOCUMWKXKTLJ-INWMFGNUSA-N 1 0 320.824 2.218 10 0 DEAERO c1cnc(N[C@H]2CC[N@@H+](Cc3ccc4nccnc4c3)C2)nc1 ZINC000639280829 406019588 /nfs/dbraw/zinc/01/95/88/406019588.db2.gz FUASAWHTGNLAPF-AWEZNQCLSA-N 1 0 306.373 2.106 10 0 DEAERO c1cnn(C2CC([NH2+]C[C@@H](c3nnc[nH]3)c3ccccc3)C2)c1 ZINC000639234969 405993839 /nfs/dbraw/zinc/99/38/39/405993839.db2.gz DMYRTPJEKLARGV-UYSNPLJNSA-N 1 0 308.389 2.126 10 0 DEAERO CC[C@@H]([NH2+]Cc1snc(OC)c1Br)[C@H](C)O ZINC000639236949 405996427 /nfs/dbraw/zinc/99/64/27/405996427.db2.gz UHOLERMQJFCBDT-NKWVEPMBSA-N 1 0 309.229 2.163 10 0 DEAERO COc1nsc(C[NH2+][C@@H]2CCC[C@@H]2CO)c1Br ZINC000639239547 405996522 /nfs/dbraw/zinc/99/65/22/405996522.db2.gz YEMIWAOTYLZPLT-HTQZYQBOSA-N 1 0 321.240 2.165 10 0 DEAERO C[C@H]1CCN(C(=O)NCCOCC[NH+](C)C)[C@@H](c2ccco2)C1 ZINC000471631994 406102588 /nfs/dbraw/zinc/10/25/88/406102588.db2.gz ADLRLUDOFCQAEJ-LSDHHAIUSA-N 1 0 323.437 2.340 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000533816335 406163489 /nfs/dbraw/zinc/16/34/89/406163489.db2.gz SHBBHUYRWBLJMR-IJEWVQPXSA-N 1 0 302.422 2.183 10 0 DEAERO CC(=O)N(c1ccc(NC(=O)C[N@H+]2CC[C@@H](C)C2)cc1)C1CC1 ZINC000516783368 406105381 /nfs/dbraw/zinc/10/53/81/406105381.db2.gz GGXMWOMOYYSMIU-CYBMUJFWSA-N 1 0 315.417 2.482 10 0 DEAERO C[C@H](Cc1ccccc1F)C(=O)NCCNc1cc[nH+]cc1 ZINC000535261223 406217573 /nfs/dbraw/zinc/21/75/73/406217573.db2.gz NMCPELPYDRFTJU-CYBMUJFWSA-N 1 0 301.365 2.050 10 0 DEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(I)cn1 ZINC000519601506 406219213 /nfs/dbraw/zinc/21/92/13/406219213.db2.gz CMXYJIBDSPRELR-SFYZADRCSA-N 1 0 305.163 2.224 10 0 DEAERO CCC(CC)(CCO)C[NH2+]Cc1c(Br)cnn1C ZINC000487329991 406223794 /nfs/dbraw/zinc/22/37/94/406223794.db2.gz CZPKXERVXDJVDY-UHFFFAOYSA-N 1 0 318.259 2.461 10 0 DEAERO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)C2CCOCC2)cc1 ZINC000535800403 406239700 /nfs/dbraw/zinc/23/97/00/406239700.db2.gz QLMIOMHKDIISTE-ZDUSSCGKSA-N 1 0 307.390 2.238 10 0 DEAERO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(C2CCCCC2)n[nH]1 ZINC000536157420 406252203 /nfs/dbraw/zinc/25/22/03/406252203.db2.gz JDHDKAFKLGCWEV-CYBMUJFWSA-N 1 0 302.422 2.424 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CCC(=O)c1ccc(F)cc1F ZINC000537214950 406286016 /nfs/dbraw/zinc/28/60/16/406286016.db2.gz GKJDSJVNRBGUNE-UHFFFAOYSA-N 1 0 312.360 2.338 10 0 DEAERO COC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000537516690 406292920 /nfs/dbraw/zinc/29/29/20/406292920.db2.gz FSLUXLNCMRMBHK-OLZOCXBDSA-N 1 0 306.431 2.483 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000488111397 406293614 /nfs/dbraw/zinc/29/36/14/406293614.db2.gz XSBZCLOBMALDHQ-AOMKIAJQSA-N 1 0 322.474 2.257 10 0 DEAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC000488728148 406340981 /nfs/dbraw/zinc/34/09/81/406340981.db2.gz HSTYHTLWQMWSCS-OIISXLGYSA-N 1 0 315.413 2.282 10 0 DEAERO CSc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](CO)[C@H]2C)cc1 ZINC000488809417 406351196 /nfs/dbraw/zinc/35/11/96/406351196.db2.gz TXDLRVKXTWEVHW-UKRRQHHQSA-N 1 0 322.474 2.070 10 0 DEAERO CC=CC[C@@H]1NC(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000521528084 406351227 /nfs/dbraw/zinc/35/12/27/406351227.db2.gz ULVGYIGQEBKHGI-JIYQYTEPSA-N 1 0 313.401 2.148 10 0 DEAERO c1c[nH]c([C@H](NCc2cccc3c2CC[NH2+]C3)c2cccnc2)n1 ZINC000635007570 406396991 /nfs/dbraw/zinc/39/69/91/406396991.db2.gz DRTNMHRQKIDEEG-GOSISDBHSA-N 1 0 319.412 2.330 10 0 DEAERO C([NH2+][C@H](C1CC1)[C@@H]1CNCCO1)C1([C@H]2CCCCO2)CCC1 ZINC000635012519 406400051 /nfs/dbraw/zinc/40/00/51/406400051.db2.gz MVEWJYNALBJHKG-GVDBMIGSSA-N 1 0 308.466 2.082 10 0 DEAERO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)[C@@H](C)O)CC2)cc1 ZINC000570242518 406366652 /nfs/dbraw/zinc/36/66/52/406366652.db2.gz XUJDLZCDJUDEPR-UONOGXRCSA-N 1 0 320.433 2.049 10 0 DEAERO [NH3+][C@H]1CC=C(C(=O)NCCc2ccc(Br)cc2)C1 ZINC000637911663 406473465 /nfs/dbraw/zinc/47/34/65/406473465.db2.gz XYCGWLJRJSYPPO-ZDUSSCGKSA-N 1 0 309.207 2.155 10 0 DEAERO CN(Cc1cc(Br)cs1)C(=O)CCC1C[NH2+]C1 ZINC000637933286 406484275 /nfs/dbraw/zinc/48/42/75/406484275.db2.gz BCMBNRSWDDJRRL-UHFFFAOYSA-N 1 0 317.252 2.469 10 0 DEAERO c1ccc(N2CC[C@@H](C[NH+]3CCN(c4ncccn4)CC3)C2)cc1 ZINC000637836772 406439608 /nfs/dbraw/zinc/43/96/08/406439608.db2.gz UCTCUZVUOCEUGG-KRWDZBQOSA-N 1 0 323.444 2.125 10 0 DEAERO COc1ccccc1NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637869022 406455171 /nfs/dbraw/zinc/45/51/71/406455171.db2.gz KNHSWHZIQSCHHW-HNNXBMFYSA-N 1 0 313.401 2.093 10 0 DEAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637874245 406456716 /nfs/dbraw/zinc/45/67/16/406456716.db2.gz GFALMFXGXDBFEH-OIISXLGYSA-N 1 0 303.450 2.141 10 0 DEAERO CN(Cc1ccccc1Br)C(=O)CCC1C[NH2+]C1 ZINC000637878118 406458599 /nfs/dbraw/zinc/45/85/99/406458599.db2.gz FLGFRKJJQDTGNS-UHFFFAOYSA-N 1 0 311.223 2.407 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637882244 406461030 /nfs/dbraw/zinc/46/10/30/406461030.db2.gz XFYQPSZYKWBJEP-ZDUSSCGKSA-N 1 0 313.195 2.075 10 0 DEAERO CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C)C2 ZINC000526010068 406533066 /nfs/dbraw/zinc/53/30/66/406533066.db2.gz NFFYGVBIAGLKDH-MELADBBJSA-N 1 0 318.465 2.189 10 0 DEAERO CCc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1C ZINC000548847926 406560316 /nfs/dbraw/zinc/56/03/16/406560316.db2.gz OKZAGKUNTLCJIW-HNNXBMFYSA-N 1 0 305.470 2.470 10 0 DEAERO Cc1cnc(-c2cccc(NC(=O)[C@]3(C[NH3+])CCCOC3)c2)o1 ZINC000637985533 406510299 /nfs/dbraw/zinc/51/02/99/406510299.db2.gz GYYFHFJRYLZABM-KRWDZBQOSA-N 1 0 315.373 2.344 10 0 DEAERO C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638007410 406520598 /nfs/dbraw/zinc/52/05/98/406520598.db2.gz NJMNNTFUYLHKSB-INMHGKMJSA-N 1 0 303.450 2.093 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N(CC1CC1)CC1CC1 ZINC000638007260 406520687 /nfs/dbraw/zinc/52/06/87/406520687.db2.gz LCGWLURUCBMLRK-SFHVURJKSA-N 1 0 315.461 2.094 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCC1([NH+](C)C)CCC1)CC2 ZINC000527004306 406568117 /nfs/dbraw/zinc/56/81/17/406568117.db2.gz KYYUOCNAVKUZFV-CYBMUJFWSA-N 1 0 318.465 2.239 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)c2oc(C[NH3+])cc2C)c1 ZINC000638009465 406521302 /nfs/dbraw/zinc/52/13/02/406521302.db2.gz HZINDUBLPCESQX-UHFFFAOYSA-N 1 0 301.346 2.282 10 0 DEAERO C[C@@](O)(C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1)C(F)(F)F ZINC000527299205 406612960 /nfs/dbraw/zinc/61/29/60/406612960.db2.gz PNKOIMGHRBJPGK-NXEZZACHSA-N 1 0 323.277 2.325 10 0 DEAERO Cn1nnc2cc(C[N@@H+]3CC[C@H](c4nc(C5CC5)no4)C3)ccc21 ZINC000551927044 406654156 /nfs/dbraw/zinc/65/41/56/406654156.db2.gz LKKVGYYJFHWZDW-ZDUSSCGKSA-N 1 0 324.388 2.218 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOCC2CCC2)C[C@H]1C ZINC000572572209 406693707 /nfs/dbraw/zinc/69/37/07/406693707.db2.gz SGSHXLFGCZQZDK-ZBFHGGJFSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)c1cscn1 ZINC000638409002 406754905 /nfs/dbraw/zinc/75/49/05/406754905.db2.gz MEZJODCZTXJJSR-SLEUVZQESA-N 1 0 319.430 2.253 10 0 DEAERO OCC1(C[NH2+]Cc2ccsc2Br)CCOCC1 ZINC000527680766 406714414 /nfs/dbraw/zinc/71/44/14/406714414.db2.gz HHXCQIOTZAYXNJ-UHFFFAOYSA-N 1 0 320.252 2.389 10 0 DEAERO C(C1CCN(c2nc(C3CCOCC3)no2)CC1)[NH+]1CCCC1 ZINC000569328550 292405651 /nfs/dbraw/zinc/40/56/51/292405651.db2.gz BXMKPABKNBKOKT-UHFFFAOYSA-N 1 0 320.437 2.276 10 0 DEAERO CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000255584784 287139104 /nfs/dbraw/zinc/13/91/04/287139104.db2.gz BSFLUWOLSHBLMQ-NIOBXDJOSA-N 1 0 309.454 2.211 10 0 DEAERO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247364136 287212305 /nfs/dbraw/zinc/21/23/05/287212305.db2.gz QWJSAEXKLRAQSH-QLFBSQMISA-N 1 0 311.470 2.173 10 0 DEAERO O=C1CCCN1CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000129013928 196012349 /nfs/dbraw/zinc/01/23/49/196012349.db2.gz YGHIXMAUXXYJOV-UHFFFAOYSA-N 1 0 305.397 2.324 10 0 DEAERO CNC(=O)c1ccn(-c2cc(Br)ccc2[C@H](C)[NH3+])n1 ZINC000129230999 196031525 /nfs/dbraw/zinc/03/15/25/196031525.db2.gz YSHYIXWJALHVJX-QMMMGPOBSA-N 1 0 323.194 2.014 10 0 DEAERO NC1=[NH+]C[C@@H]([C@@H]2CCCO2)N1c1cccc(Br)c1 ZINC000129272719 196034885 /nfs/dbraw/zinc/03/48/85/196034885.db2.gz ZGHBAHTUNRUPMM-RYUDHWBXSA-N 1 0 310.195 2.131 10 0 DEAERO C[C@@H](CC[NH3+])C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000129442251 196048606 /nfs/dbraw/zinc/04/86/06/196048606.db2.gz HOWFSLVRKAGSHE-JTQLQIEISA-N 1 0 304.312 2.229 10 0 DEAERO CCSc1ccccc1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129641786 196063729 /nfs/dbraw/zinc/06/37/29/196063729.db2.gz KIVXLDLTDNFJJM-UHFFFAOYSA-N 1 0 307.463 2.421 10 0 DEAERO CC(C)(C(=O)N1CCC[C@@H]1c1ccsc1)N1CC[NH2+]CC1 ZINC000129655757 196065347 /nfs/dbraw/zinc/06/53/47/196065347.db2.gz ODLIMIMVCMZHMU-CQSZACIVSA-N 1 0 307.463 2.095 10 0 DEAERO C[C@@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000129672277 196066521 /nfs/dbraw/zinc/06/65/21/196066521.db2.gz CQILZKOALCRKST-GFCCVEGCSA-N 1 0 309.841 2.201 10 0 DEAERO CC(C)N(Cc1cccs1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129704677 196069496 /nfs/dbraw/zinc/06/94/96/196069496.db2.gz VSOUPSURRKGOJD-UHFFFAOYSA-N 1 0 309.479 2.169 10 0 DEAERO C[NH2+]C[C@@H]1COCCN1Cc1cc(Br)ccc1F ZINC000130769246 196108176 /nfs/dbraw/zinc/10/81/76/196108176.db2.gz XSIXYVKKKJAJRV-GFCCVEGCSA-N 1 0 317.202 2.008 10 0 DEAERO CCCn1ncnc1C[C@H]([NH2+]C)c1ccc(Br)cn1 ZINC000130845970 196115644 /nfs/dbraw/zinc/11/56/44/196115644.db2.gz CSFKCXDGFIDCSW-LBPRGKRZSA-N 1 0 324.226 2.349 10 0 DEAERO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)CN2CCOCC2)c1C ZINC000130853899 196116747 /nfs/dbraw/zinc/11/67/47/196116747.db2.gz JUEOUNKVRPGKQB-IEBWSBKVSA-N 1 0 318.461 2.133 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@H]1CCSc1nc(C)ns1 ZINC000131016096 196132504 /nfs/dbraw/zinc/13/25/04/196132504.db2.gz GDNPYVMISBQOMF-WCQYABFASA-N 1 0 301.481 2.469 10 0 DEAERO CC[NH2+][C@](C)(CCCCSc1nc(CC)ns1)C(N)=O ZINC000131020516 196132653 /nfs/dbraw/zinc/13/26/53/196132653.db2.gz XSDQPGOFDIHHSK-CYBMUJFWSA-N 1 0 316.496 2.216 10 0 DEAERO CN(C)c1nc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)ns1 ZINC000131288177 196156935 /nfs/dbraw/zinc/15/69/35/196156935.db2.gz IMBGILGWPAKXGC-CYBMUJFWSA-N 1 0 309.483 2.054 10 0 DEAERO C[S@@](=O)CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000131392213 196163973 /nfs/dbraw/zinc/16/39/73/196163973.db2.gz DSQSISHADOWGAU-DYVFJYSZSA-N 1 0 316.264 2.275 10 0 DEAERO Cc1ccc([C@@H]2NCC(=O)N2[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000131435225 196168460 /nfs/dbraw/zinc/16/84/60/196168460.db2.gz PVCCVBLDLPFPPR-XJKCOSOUSA-N 1 0 305.447 2.114 10 0 DEAERO Clc1cnc(N2CCOC[C@H]2C[NH2+]C2CC2)c(Cl)c1 ZINC000131457290 196170488 /nfs/dbraw/zinc/17/04/88/196170488.db2.gz CBRVDZPPNBRKRA-LLVKDONJSA-N 1 0 302.205 2.346 10 0 DEAERO C[NH2+][C@H](c1ncccc1F)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000131548208 196178571 /nfs/dbraw/zinc/17/85/71/196178571.db2.gz GYAPQBMIGZPOMF-GVXVVHGQSA-N 1 0 300.399 2.085 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000131548585 196178818 /nfs/dbraw/zinc/17/88/18/196178818.db2.gz GHQNQTJENAKRFI-NSHDSACASA-N 1 0 314.227 2.224 10 0 DEAERO COCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1Br ZINC000131545047 196178878 /nfs/dbraw/zinc/17/88/78/196178878.db2.gz CRUPUTOQVXHSAE-VIFPVBQESA-N 1 0 321.602 2.405 10 0 DEAERO [NH3+]CC1(CNS(=O)(=O)CC2CCCCC2)CCCCC1 ZINC000131566174 196180458 /nfs/dbraw/zinc/18/04/58/196180458.db2.gz NASMFFJWJYWGCB-UHFFFAOYSA-N 1 0 302.484 2.395 10 0 DEAERO [NH3+]C[C@H]1CCCN1C(=O)c1cc(Br)cn1C1CC1 ZINC000131572632 196181211 /nfs/dbraw/zinc/18/12/11/196181211.db2.gz VGAUCLDARRVJPQ-LLVKDONJSA-N 1 0 312.211 2.149 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(F)cc1C)[C@H](C)S(C)(=O)=O ZINC000131922260 196210878 /nfs/dbraw/zinc/21/08/78/196210878.db2.gz PCJHAVGKZLZCSE-SWLSCSKDSA-N 1 0 301.427 2.478 10 0 DEAERO Cc1cc(Br)cc(-c2nc([C@H]3C[NH2+]CCO3)no2)c1 ZINC000132072102 196223721 /nfs/dbraw/zinc/22/37/21/196223721.db2.gz LATRXEXUNPCRGW-LLVKDONJSA-N 1 0 324.178 2.468 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(-c3nccs3)cc2)CCOCC1 ZINC000132144443 196229569 /nfs/dbraw/zinc/22/95/69/196229569.db2.gz HSKWBQTWZBTKTA-UHFFFAOYSA-N 1 0 303.387 2.257 10 0 DEAERO Cc1cc(C[NH2+]CCNC(=O)N(C)C)ccc1Br ZINC000132163026 196231221 /nfs/dbraw/zinc/23/12/21/196231221.db2.gz ODHZKIHCWWBQON-UHFFFAOYSA-N 1 0 314.227 2.118 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(O[C@@H](C)C(=O)NCCOC)c(Cl)c1 ZINC000132378408 196251060 /nfs/dbraw/zinc/25/10/60/196251060.db2.gz KJWWKDSHEJDWDG-QWRGUYRKSA-N 1 0 314.813 2.150 10 0 DEAERO CN(CC[NH+]1CCCC1)C(=O)c1sc2cccnc2c1N ZINC000132266115 196239442 /nfs/dbraw/zinc/23/94/42/196239442.db2.gz XNGMODVSMNZQEC-UHFFFAOYSA-N 1 0 304.419 2.046 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCCc2sc(Br)cc21)C(N)=O ZINC000132273578 196240666 /nfs/dbraw/zinc/24/06/66/196240666.db2.gz QIDSPNZMAJFIIY-HTRCEHHLSA-N 1 0 303.225 2.351 10 0 DEAERO C[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000132508994 196261267 /nfs/dbraw/zinc/26/12/67/196261267.db2.gz XYQPTGZVWJBBNZ-ZYHUDNBSSA-N 1 0 300.324 2.362 10 0 DEAERO COCc1nc(NCCc2ccc(Cl)cc2)cc(NN)[nH+]1 ZINC000132771241 196282316 /nfs/dbraw/zinc/28/23/16/196282316.db2.gz MERQZXXPMYJEMT-UHFFFAOYSA-N 1 0 307.785 2.217 10 0 DEAERO O[C@@H](Cc1cc(F)cc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000133060878 196308153 /nfs/dbraw/zinc/30/81/53/196308153.db2.gz JBDIOCXALJFXQH-GWCFXTLKSA-N 1 0 302.187 2.491 10 0 DEAERO [NH3+]Cc1ccccc1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000133245246 196324202 /nfs/dbraw/zinc/32/42/02/196324202.db2.gz QJXLNMXPLQQNGR-ZDUSSCGKSA-N 1 0 300.324 2.489 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1cccc(N)c1Br ZINC000133987351 196352354 /nfs/dbraw/zinc/35/23/54/196352354.db2.gz OEZYHWDOYDMZIY-UHFFFAOYSA-N 1 0 314.227 2.103 10 0 DEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)NCC[S@](=O)CC)c1 ZINC000134089307 196360323 /nfs/dbraw/zinc/36/03/23/196360323.db2.gz WGCDBDUAWLZNOG-GTJPDFRWSA-N 1 0 311.451 2.247 10 0 DEAERO CC1(NS(=O)(=O)c2cc(C[NH2+]C3CC3)ccc2Cl)CC1 ZINC000134132461 196363948 /nfs/dbraw/zinc/36/39/48/196363948.db2.gz SABYVLBBMHBIPY-UHFFFAOYSA-N 1 0 314.838 2.423 10 0 DEAERO [NH3+][C@@H](Cc1ccc(Cl)cc1F)[C@H]1CCCCS1(=O)=O ZINC000134222737 196372059 /nfs/dbraw/zinc/37/20/59/196372059.db2.gz LGYXDICJTJWYQH-QWHCGFSZSA-N 1 0 305.802 2.316 10 0 DEAERO COCC(C)(C)[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000134310852 196378248 /nfs/dbraw/zinc/37/82/48/196378248.db2.gz PUJBBPJXDAWAJE-GFCCVEGCSA-N 1 0 301.814 2.403 10 0 DEAERO C[N@@H+]1CCC[C@@]2(CC(=O)NC(=O)[C@@H]2c2ccccc2Cl)C1 ZINC000134373007 196382648 /nfs/dbraw/zinc/38/26/48/196382648.db2.gz OZJQLPKTUKEVSJ-GOEBONIOSA-N 1 0 306.793 2.182 10 0 DEAERO CC[C@@H](CCO)[NH2+]CC(=O)Nc1ccccc1Br ZINC000134399514 196386171 /nfs/dbraw/zinc/38/61/71/196386171.db2.gz ASPXMBMNWDZJHM-JTQLQIEISA-N 1 0 315.211 2.138 10 0 DEAERO CC(C)(C)C[C@@H]([NH3+])Cc1nc2c(cccc2S(C)(=O)=O)[nH]1 ZINC000134718665 196414577 /nfs/dbraw/zinc/41/45/77/196414577.db2.gz AXLRZMSZRJCAJQ-JTQLQIEISA-N 1 0 309.435 2.272 10 0 DEAERO COc1ccc(C[C@@H](O)CC[NH+](C)C)cc1Br ZINC000134774026 196419213 /nfs/dbraw/zinc/41/92/13/196419213.db2.gz CKMIGYFXLZRZPF-NSHDSACASA-N 1 0 302.212 2.313 10 0 DEAERO CSc1nnc(SCC[C@@H]2CCC[C@]2(O)C[NH3+])s1 ZINC000135604456 196493233 /nfs/dbraw/zinc/49/32/33/196493233.db2.gz CEDVTXYYRVEFNJ-KWQFWETISA-N 1 0 305.494 2.232 10 0 DEAERO Brc1ccc2c(c1)CC[C@@H]([NH2+]CCn1ccnn1)C2 ZINC000136353134 196533474 /nfs/dbraw/zinc/53/34/74/196533474.db2.gz YBOJPPQIDAZXMW-CQSZACIVSA-N 1 0 321.222 2.188 10 0 DEAERO C[C@H](c1nnnn1C1CCCCC1)N1CCC([NH+](C)C)CC1 ZINC000188726673 225031353 /nfs/dbraw/zinc/03/13/53/225031353.db2.gz ZPANKDHKPRUAQG-CYBMUJFWSA-N 1 0 306.458 2.265 10 0 DEAERO Cn1cc([C@@H]([NH2+]CC2(CCO)CC2)c2cccc(F)c2)cn1 ZINC000188065641 225008897 /nfs/dbraw/zinc/00/88/97/225008897.db2.gz BLKYDLATYSIWTI-INIZCTEOSA-N 1 0 303.381 2.401 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)CCc2cccs2)CC[N@@H+]1C ZINC000195384106 225204334 /nfs/dbraw/zinc/20/43/34/225204334.db2.gz ZCPWSSPSNHCOFM-QWHCGFSZSA-N 1 0 316.492 2.035 10 0 DEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000295938216 225398636 /nfs/dbraw/zinc/39/86/36/225398636.db2.gz AYZCDFJHTSURHF-KCJUWKMLSA-N 1 0 315.186 2.345 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](n2ccc(N)n2)CC1 ZINC000616630504 422517380 /nfs/dbraw/zinc/51/73/80/422517380.db2.gz ZSEWPUIBWQTGDJ-ZDUSSCGKSA-N 1 0 323.441 2.017 10 0 DEAERO CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883430 424849688 /nfs/dbraw/zinc/84/96/88/424849688.db2.gz ZIGPXIBRSRRHLI-CVEARBPZSA-N 1 0 321.469 2.075 10 0 DEAERO CC(C)N(C(=O)C[NH+]1CCC(Cc2nccn2C)CC1)C(C)C ZINC000105875639 424849726 /nfs/dbraw/zinc/84/97/26/424849726.db2.gz WNOJZHZTRCPMGP-UHFFFAOYSA-N 1 0 320.481 2.320 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000193807409 424871515 /nfs/dbraw/zinc/87/15/15/424871515.db2.gz ZKECOGIIOFWXLL-NVXWUHKLSA-N 1 0 307.482 2.194 10 0 DEAERO CCC1CCC(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000194452167 424876347 /nfs/dbraw/zinc/87/63/47/424876347.db2.gz ZLOUTBUOZYXXQV-GPANFISMSA-N 1 0 311.470 2.101 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(OC(F)F)cc2)C1 ZINC000194637987 424877570 /nfs/dbraw/zinc/87/75/70/424877570.db2.gz OEGPYATVRVJVLQ-ZDUSSCGKSA-N 1 0 312.360 2.431 10 0 DEAERO C[C@H](CCO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000132928918 424859398 /nfs/dbraw/zinc/85/93/98/424859398.db2.gz KQPDLMCHSUVUNJ-NXEZZACHSA-N 1 0 308.205 2.094 10 0 DEAERO Cc1nc(N)nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000379686926 424907655 /nfs/dbraw/zinc/90/76/55/424907655.db2.gz BYFJHDNUQYRWBW-DOMZBBRYSA-N 1 0 312.421 2.227 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000384052938 424910401 /nfs/dbraw/zinc/91/04/01/424910401.db2.gz VFHGRMVIVQGXRV-BZSNNMDCSA-N 1 0 316.445 2.427 10 0 DEAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1coc(Br)c1 ZINC000383278647 424910600 /nfs/dbraw/zinc/91/06/00/424910600.db2.gz ICHAUPSZLWWPPW-JTQLQIEISA-N 1 0 301.184 2.208 10 0 DEAERO c1cc2c(cc1CN1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000387028400 424912725 /nfs/dbraw/zinc/91/27/25/424912725.db2.gz FAKPXAQLDKFVQP-HOTGVXAUSA-N 1 0 302.418 2.422 10 0 DEAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cncc(Br)c1 ZINC000401613065 424923967 /nfs/dbraw/zinc/92/39/67/424923967.db2.gz LJZJOPLLWGZIHB-GFCCVEGCSA-N 1 0 324.222 2.249 10 0 DEAERO O[C@]1(CC[NH2+]Cc2ccc(Br)cc2)CCOC1 ZINC000404184947 424926213 /nfs/dbraw/zinc/92/62/13/424926213.db2.gz BJALQLJUINNKHN-CYBMUJFWSA-N 1 0 300.196 2.080 10 0 DEAERO CC[N@@H+]1CCCN(C(=O)c2nscc2Br)CC1 ZINC000404759170 424928647 /nfs/dbraw/zinc/92/86/47/424928647.db2.gz HCBCBGXECAGCFR-UHFFFAOYSA-N 1 0 318.240 2.073 10 0 DEAERO CN(C(=O)c1nscc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000404846467 424929472 /nfs/dbraw/zinc/92/94/72/424929472.db2.gz OYDAIUDDZISXGR-MRVPVSSYSA-N 1 0 318.240 2.072 10 0 DEAERO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1nscc1Br ZINC000404800813 424929499 /nfs/dbraw/zinc/92/94/99/424929499.db2.gz VGPJXGWSBZUWSF-BHNWBGBOSA-N 1 0 318.240 2.022 10 0 DEAERO C[NH+](C)C1(CNC(=O)c2nscc2Br)CCC1 ZINC000404795354 424929604 /nfs/dbraw/zinc/92/96/04/424929604.db2.gz IQTJSBYWBRXLIO-UHFFFAOYSA-N 1 0 318.240 2.120 10 0 DEAERO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1nscc1Br ZINC000404800817 424929617 /nfs/dbraw/zinc/92/96/17/424929617.db2.gz VGPJXGWSBZUWSF-ZXFLCMHBSA-N 1 0 318.240 2.022 10 0 DEAERO Brc1csnc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000404907560 424929800 /nfs/dbraw/zinc/92/98/00/424929800.db2.gz SIRJOEQXAYTUIS-LURJTMIESA-N 1 0 301.169 2.380 10 0 DEAERO C[NH+]1CCC(NC(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000572711316 424936642 /nfs/dbraw/zinc/93/66/42/424936642.db2.gz ZFVAECCYUGEPPP-UHFFFAOYSA-N 1 0 306.410 2.722 10 0 DEAERO CC[C@@H](C(=O)NCC1([NH+]2CCCC2)CCCC1)n1cccn1 ZINC000244620027 424886060 /nfs/dbraw/zinc/88/60/60/424886060.db2.gz FKMYZPDDLXHNRO-HNNXBMFYSA-N 1 0 304.438 2.359 10 0 DEAERO C[C@H](CO)[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@H](C)O ZINC000248998234 424886647 /nfs/dbraw/zinc/88/66/47/424886647.db2.gz YFZYMFJFEXQIJW-KGLIPLIRSA-N 1 0 323.433 2.206 10 0 DEAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307947781 424893323 /nfs/dbraw/zinc/89/33/23/424893323.db2.gz OKBFNDLPNQVBLF-JSGCOSHPSA-N 1 0 304.356 2.410 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccccc1N ZINC000309920463 424893703 /nfs/dbraw/zinc/89/37/03/424893703.db2.gz VTJUAMFSWXXTLW-HNNXBMFYSA-N 1 0 311.429 2.448 10 0 DEAERO CCc1ncnc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1F ZINC000328628934 424901541 /nfs/dbraw/zinc/90/15/41/424901541.db2.gz OEVLGKDDMVSELY-BBRMVZONSA-N 1 0 315.396 2.678 10 0 DEAERO O[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)[C@H]1n1cccn1 ZINC000657515908 425355355 /nfs/dbraw/zinc/35/53/55/425355355.db2.gz PRNYFLMRORNVGJ-IPMKNSEASA-N 1 0 320.396 2.409 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096834 267379180 /nfs/dbraw/zinc/37/91/80/267379180.db2.gz IRPPYUQMFCEVRR-CJNGLKHVSA-N 1 0 307.413 2.426 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2cc(Br)cs2)CC1=O ZINC000657693349 425387784 /nfs/dbraw/zinc/38/77/84/425387784.db2.gz AIBJTDGKGCDPGA-QMMMGPOBSA-N 1 0 303.225 2.079 10 0 DEAERO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NCC(F)(F)F)C12CCCC2 ZINC000121134443 267423813 /nfs/dbraw/zinc/42/38/13/267423813.db2.gz XKPKYELSJBJGEG-RYUDHWBXSA-N 1 0 322.371 2.335 10 0 DEAERO CN(C(=O)COc1ccccc1Cl)[C@@H](C[NH3+])C(F)(F)F ZINC000662976711 425770723 /nfs/dbraw/zinc/77/07/23/425770723.db2.gz PTHLMJBVKNGCQL-JTQLQIEISA-N 1 0 310.703 2.067 10 0 DEAERO OCC1CC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000663375087 425833108 /nfs/dbraw/zinc/83/31/08/425833108.db2.gz SGPZYUOGOYFEDC-NHNAUAITSA-N 1 0 320.216 2.094 10 0 DEAERO C[C@@H](O)CCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227954070 268578924 /nfs/dbraw/zinc/57/89/24/268578924.db2.gz VLHOKOHEBUNHJM-KGLIPLIRSA-N 1 0 300.443 2.384 10 0 DEAERO CCc1nocc1CN(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333073231 268881313 /nfs/dbraw/zinc/88/13/13/268881313.db2.gz GYYDTLJXORWTTH-GOOCMWNKSA-N 1 0 320.437 2.394 10 0 DEAERO CC(C)(C)c1csc(CNC(=O)N[C@@H]2CCCC[NH2+]C2)n1 ZINC000333148472 268892644 /nfs/dbraw/zinc/89/26/44/268892644.db2.gz DZDGZZMYLLEGGG-LLVKDONJSA-N 1 0 310.467 2.382 10 0 DEAERO CC(C)(CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)S(C)(=O)=O ZINC000333906885 269003470 /nfs/dbraw/zinc/00/34/70/269003470.db2.gz CWYVWHJPYOHNOD-HZSPNIEDSA-N 1 0 315.479 2.137 10 0 DEAERO C[C@H]1CN(C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000358031670 269040797 /nfs/dbraw/zinc/04/07/97/269040797.db2.gz YUARFLIERQFMHM-SMDDNHRTSA-N 1 0 313.239 2.368 10 0 DEAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1cnc(N(C)C)n1C ZINC000390527410 269097474 /nfs/dbraw/zinc/09/74/74/269097474.db2.gz JWWKKUUQKYSXOY-AWEZNQCLSA-N 1 0 302.422 2.181 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCCCOCc1ccccc1 ZINC000390751042 269098043 /nfs/dbraw/zinc/09/80/43/269098043.db2.gz SLXNXPCDLWCQNE-KRWDZBQOSA-N 1 0 304.434 2.489 10 0 DEAERO CCc1nnc(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]1 ZINC000392375861 269099641 /nfs/dbraw/zinc/09/96/41/269099641.db2.gz OTLHTMQDXWOHQH-GFCCVEGCSA-N 1 0 323.441 2.104 10 0 DEAERO C[C@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000397615559 269106851 /nfs/dbraw/zinc/10/68/51/269106851.db2.gz GUROXWAUDHWCMB-HNNXBMFYSA-N 1 0 316.445 2.176 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cncc(Cl)n1 ZINC000189555653 274213189 /nfs/dbraw/zinc/21/31/89/274213189.db2.gz RTUYJXGEYYJGDL-LBPRGKRZSA-N 1 0 318.808 2.380 10 0 DEAERO c1ccc(-c2nc3c(c(N4CC[N@@H+]5CCC[C@H]5C4)n2)CCC3)nc1 ZINC000246996623 275066339 /nfs/dbraw/zinc/06/63/39/275066339.db2.gz LPTYOMTZKIWNIY-AWEZNQCLSA-N 1 0 321.428 2.312 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@@H]1CCc2ccccc21 ZINC000261943393 275888219 /nfs/dbraw/zinc/88/82/19/275888219.db2.gz VBSRCXMVMSTWHT-WFXMFSGNSA-N 1 0 314.429 2.323 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccccc1-n1cccn1)[NH+](C)C ZINC000179686238 276021417 /nfs/dbraw/zinc/02/14/17/276021417.db2.gz MUEHKQHVPORDMB-INIZCTEOSA-N 1 0 300.406 2.219 10 0 DEAERO CC[N@H+](C)[C@@H]1CCN(c2nc(N(C)C)cc(C(F)(F)F)n2)C1 ZINC000302783353 276077518 /nfs/dbraw/zinc/07/75/18/276077518.db2.gz TXWSFXJQBZZKFJ-SNVBAGLBSA-N 1 0 317.359 2.092 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCc2c(cccc2OC)C1 ZINC000182581534 276116279 /nfs/dbraw/zinc/11/62/79/276116279.db2.gz GMXKDQVEKHOZGY-CQSZACIVSA-N 1 0 319.449 2.493 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCOc2ccccc21 ZINC000245428147 276169178 /nfs/dbraw/zinc/16/91/78/276169178.db2.gz INMBNWOTYLCQHK-ZBFHGGJFSA-N 1 0 302.418 2.495 10 0 DEAERO CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000120952286 276191329 /nfs/dbraw/zinc/19/13/29/276191329.db2.gz JPWZULNMERBOMO-HOTGVXAUSA-N 1 0 303.450 2.198 10 0 DEAERO CCC[C@@H]1CN(C(=O)[C@H](C)c2cccnc2)CC[N@@H+]1CCOC ZINC000245869965 276275997 /nfs/dbraw/zinc/27/59/97/276275997.db2.gz GRUKLNAQQQFVOL-NVXWUHKLSA-N 1 0 319.449 2.144 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CCN2CCCCCC2)C12CCOCC2 ZINC000186226445 276473820 /nfs/dbraw/zinc/47/38/20/276473820.db2.gz AKSVURWGJZTNNH-IAGOWNOFSA-N 1 0 310.482 2.426 10 0 DEAERO COC(=O)CC1(C[N@@H+]2CCc3cccc(OC)c3CC2)CC1 ZINC000440537708 277314188 /nfs/dbraw/zinc/31/41/88/277314188.db2.gz QLRQBSCTJHZUHR-UHFFFAOYSA-N 1 0 303.402 2.439 10 0 DEAERO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000361511629 277347001 /nfs/dbraw/zinc/34/70/01/277347001.db2.gz UGVNJVZFZLXCJO-HUUCEWRRSA-N 1 0 322.449 2.053 10 0 DEAERO COC(=O)[C@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000358851771 277384779 /nfs/dbraw/zinc/38/47/79/277384779.db2.gz MWXJABMLUAPWTL-DLBZAZTESA-N 1 0 302.418 2.192 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247471002 277478848 /nfs/dbraw/zinc/47/88/48/277478848.db2.gz QGPVCBUCEBXUBM-QKPAOTATSA-N 1 0 311.470 2.220 10 0 DEAERO C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)C1CCOCC1 ZINC000152332871 277613129 /nfs/dbraw/zinc/61/31/29/277613129.db2.gz YMUWWBQLMZMKOD-CQSZACIVSA-N 1 0 320.433 2.172 10 0 DEAERO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000449151684 277775405 /nfs/dbraw/zinc/77/54/05/277775405.db2.gz YDYBCYRYLXBUTR-JFIYKMOQSA-N 1 0 321.509 2.345 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c2ccccc21 ZINC000153150048 277795728 /nfs/dbraw/zinc/79/57/28/277795728.db2.gz JJBAXKYOMMQCOV-SKDZVZGDSA-N 1 0 319.449 2.237 10 0 DEAERO COc1cccc2c1CC[N@H+](Cc1cc(=O)c(OC)co1)CC2 ZINC000489472754 278028990 /nfs/dbraw/zinc/02/89/90/278028990.db2.gz CLVGQBFBKZZFRP-UHFFFAOYSA-N 1 0 315.369 2.258 10 0 DEAERO CC(=O)NC1CCC([NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000187403797 278089848 /nfs/dbraw/zinc/08/98/48/278089848.db2.gz FDNLJVCHRHNQOQ-WZOJCFFYSA-N 1 0 315.461 2.469 10 0 DEAERO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)C[C@H]1CCCO1 ZINC000245383224 278144310 /nfs/dbraw/zinc/14/43/10/278144310.db2.gz NXAUQZUIVAVQJD-TZMCWYRMSA-N 1 0 308.447 2.132 10 0 DEAERO CC1(C)CN(C(=O)c2cccc(N3CCCC3=O)c2)CC[C@@H]1[NH3+] ZINC000261792513 278324458 /nfs/dbraw/zinc/32/44/58/278324458.db2.gz IJCNIVRHOVADGU-HNNXBMFYSA-N 1 0 315.417 2.013 10 0 DEAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000434762855 278443130 /nfs/dbraw/zinc/44/31/30/278443130.db2.gz ITQITYKZRQFQLF-WBVHZDCISA-N 1 0 321.509 2.345 10 0 DEAERO C[C@@H]1CCN(CC(=O)Nc2nc3ccccc3s2)[C@@H](C[NH3+])C1 ZINC000262522226 278549977 /nfs/dbraw/zinc/54/99/77/278549977.db2.gz OFFQWBVTSUMLCN-VXGBXAGGSA-N 1 0 318.446 2.294 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCSC(C)(C)C1 ZINC000083710849 278970755 /nfs/dbraw/zinc/97/07/55/278970755.db2.gz AKGQHIKDNRZVEC-ZDUSSCGKSA-N 1 0 301.500 2.500 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC000137111385 278972839 /nfs/dbraw/zinc/97/28/39/278972839.db2.gz LBCIXODEBOHKAJ-DLBZAZTESA-N 1 0 305.466 2.382 10 0 DEAERO CC(C)C[C@H](C)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000133427098 279106221 /nfs/dbraw/zinc/10/62/21/279106221.db2.gz SDGVJPXZZLVXIL-DLBZAZTESA-N 1 0 324.513 2.233 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCSCC[C@H]1C ZINC000191119660 279125084 /nfs/dbraw/zinc/12/50/84/279125084.db2.gz QXEPDAZIGQOGKH-ZIAGYGMSSA-N 1 0 301.500 2.500 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1ccncc1OC ZINC000189954498 279158994 /nfs/dbraw/zinc/15/89/94/279158994.db2.gz BZDSEEYNKXOWMS-OLZOCXBDSA-N 1 0 308.426 2.181 10 0 DEAERO CC(C)Cc1ccc([C@@H]([NH2+]CC(=O)NC(N)=O)C2CC2)cc1 ZINC000152628673 279242675 /nfs/dbraw/zinc/24/26/75/279242675.db2.gz RTTVTTRBLNCXGJ-MRXNPFEDSA-N 1 0 303.406 2.121 10 0 DEAERO CCO[C@@H]1C[C@](O)(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1(C)C ZINC000249045218 279889050 /nfs/dbraw/zinc/88/90/50/279889050.db2.gz HGQYRSLPBSZGAM-LSPIHWNJSA-N 1 0 309.450 2.100 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000180163559 280207896 /nfs/dbraw/zinc/20/78/96/280207896.db2.gz GHJZZDSKBVDTOA-NVXWUHKLSA-N 1 0 306.450 2.187 10 0 DEAERO Cc1c2ccccc2oc1[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)C ZINC000183272471 280274393 /nfs/dbraw/zinc/27/43/93/280274393.db2.gz ZGMOFZORRUEUGV-AWEZNQCLSA-N 1 0 303.362 2.223 10 0 DEAERO Cc1cc(C)cc(OC[C@H](O)C[NH+]2[C@H](C)CC(O)C[C@H]2C)c1 ZINC000249106396 280424193 /nfs/dbraw/zinc/42/41/93/280424193.db2.gz XDPNGICWRDXHHY-BFYDXBDKSA-N 1 0 307.434 2.277 10 0 DEAERO CC[C@H](C)[NH+]1CCN(C(=O)CC2(CC(=O)OC)CCCC2)CC1 ZINC000456533778 280733341 /nfs/dbraw/zinc/73/33/41/280733341.db2.gz RSIHIBXYEOKBJZ-HNNXBMFYSA-N 1 0 324.465 2.443 10 0 DEAERO CC1(C)CN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC[C@@H]1[NH3+] ZINC000262532303 281230843 /nfs/dbraw/zinc/23/08/43/281230843.db2.gz PTXKPAHEOACVGE-JYJNAYRXSA-N 1 0 307.482 2.227 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])s1 ZINC000234178262 281410335 /nfs/dbraw/zinc/41/03/35/281410335.db2.gz FSFYMVBLQGJLLU-WDEREUQCSA-N 1 0 302.465 2.058 10 0 DEAERO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000408092485 289343512 /nfs/dbraw/zinc/34/35/12/289343512.db2.gz SCLCWTJAPNPYTK-NYLWZMBOSA-N 1 0 320.477 2.163 10 0 DEAERO COc1cccc(OC)c1CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000156001438 295309276 /nfs/dbraw/zinc/30/92/76/295309276.db2.gz JCNJRIOCMQYPTA-CQSZACIVSA-N 1 0 320.433 2.237 10 0 DEAERO C[C@H](C(=O)N1CCCC[C@@H]1c1nc[nH]n1)[NH+]1CCCCCC1 ZINC000179349514 298022226 /nfs/dbraw/zinc/02/22/26/298022226.db2.gz XMHSVDXFLWVCNB-ZIAGYGMSSA-N 1 0 305.426 2.123 10 0 DEAERO C[C@H](CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000151554645 298717075 /nfs/dbraw/zinc/71/70/75/298717075.db2.gz IWOMSPRAWXASMA-JFIYKMOQSA-N 1 0 323.481 2.055 10 0 DEAERO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nc(C2CCCC2)no1 ZINC000189425517 300247879 /nfs/dbraw/zinc/24/78/79/300247879.db2.gz HQGNUKAJWZPRSF-ZDUSSCGKSA-N 1 0 322.453 2.004 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000247496123 300312600 /nfs/dbraw/zinc/31/26/00/300312600.db2.gz UQNYMMQLXAHDFE-SRXPKIRMSA-N 1 0 304.434 2.077 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000119533353 301253222 /nfs/dbraw/zinc/25/32/22/301253222.db2.gz NQNMNQKIZSFKTH-HZPDHXFCSA-N 1 0 306.454 2.298 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000168308992 302759985 /nfs/dbraw/zinc/75/99/85/302759985.db2.gz OSMFDIAQFYVHGN-ILXRZTDVSA-N 1 0 304.438 2.218 10 0 DEAERO Cn1cncc1CN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000261707362 303027198 /nfs/dbraw/zinc/02/71/98/303027198.db2.gz IMTXYFBONXQHHO-AWEZNQCLSA-N 1 0 317.462 2.021 10 0 DEAERO NC(=O)c1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123626000 303343187 /nfs/dbraw/zinc/34/31/87/303343187.db2.gz WIDXNGBZRRDRKQ-HZPDHXFCSA-N 1 0 320.458 2.272 10 0 DEAERO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cccc2ncccc21 ZINC000262038508 303389795 /nfs/dbraw/zinc/38/97/95/303389795.db2.gz BRCIHAPUTAMVOA-CYBMUJFWSA-N 1 0 319.430 2.127 10 0 DEAERO CCSc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)cc1 ZINC000575952651 326258515 /nfs/dbraw/zinc/25/85/15/326258515.db2.gz XMGODJUNUAQXCI-NJZAAPMLSA-N 1 0 308.447 2.353 10 0 DEAERO COC[C@@H](C)C[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000187645253 332979995 /nfs/dbraw/zinc/97/99/95/332979995.db2.gz NVDLCIRIFXJONR-KRWDZBQOSA-N 1 0 305.466 2.071 10 0 DEAERO COC[C@@H](C)C[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000187707356 332983869 /nfs/dbraw/zinc/98/38/69/332983869.db2.gz PXKGOFJZGGLJBC-HNNXBMFYSA-N 1 0 300.402 2.269 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000187837356 332989938 /nfs/dbraw/zinc/98/99/38/332989938.db2.gz XCHLBOJKQSIOMR-KFWWJZLASA-N 1 0 312.479 2.382 10 0 DEAERO COC[C@@H](C)C[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000189639790 333190372 /nfs/dbraw/zinc/19/03/72/333190372.db2.gz HFTYWBATCSOCBC-ZDUSSCGKSA-N 1 0 308.397 2.174 10 0 DEAERO c1c(C[NH2+]CC[C@H]2COc3ccccc3O2)nc2ncccn12 ZINC000584396424 337317576 /nfs/dbraw/zinc/31/75/76/337317576.db2.gz PLXRSWZQGMFBBJ-AWEZNQCLSA-N 1 0 310.357 2.049 10 0 DEAERO Fc1ccc2[nH]c(CNc3ncnc4c3CC[NH2+]CC4)cc2c1 ZINC000072407640 337366986 /nfs/dbraw/zinc/36/69/86/337366986.db2.gz GVGKUQOXLGDNAS-UHFFFAOYSA-N 1 0 311.364 2.397 10 0 DEAERO CC/C=C/CCOC[C@@H](O)C[NH2+]CCOc1ccccc1OC ZINC000584627943 337376279 /nfs/dbraw/zinc/37/62/79/337376279.db2.gz XTAYPQWLULFLFP-APHBUQMISA-N 1 0 323.433 2.397 10 0 DEAERO CN(C)[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)c1ccccc1Cl ZINC000178187915 341949160 /nfs/dbraw/zinc/94/91/60/341949160.db2.gz FVZGUCOKQYQSSY-HNNXBMFYSA-N 1 0 324.856 2.075 10 0 DEAERO CCOCC[N@H+](CC)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000107677764 519909030 /nfs/dbraw/zinc/90/90/30/519909030.db2.gz WWKYWPIONNGQOA-GFCCVEGCSA-N 1 0 310.360 2.146 10 0 DEAERO Cc1nc(C)c(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000237685782 500999558 /nfs/dbraw/zinc/99/95/58/500999558.db2.gz XIFMGDZWNFOZLB-IHRRRGAJSA-N 1 0 307.463 2.339 10 0 DEAERO C[C@H]1CN(Cc2cccc(Cl)c2Cl)CC[N@@H+]1CCO ZINC000190241144 533954252 /nfs/dbraw/zinc/95/42/52/533954252.db2.gz SILCSNWHYCBLJL-NSHDSACASA-N 1 0 303.233 2.492 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccnn1C ZINC000192953532 533988317 /nfs/dbraw/zinc/98/83/17/533988317.db2.gz UGYFALPRUOBASN-NWDGAFQWSA-N 1 0 305.813 2.398 10 0 DEAERO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@H]1CCCO1 ZINC000241126073 534210974 /nfs/dbraw/zinc/21/09/74/534210974.db2.gz JJFVBYBJEQHYBV-ARFHVFGLSA-N 1 0 309.454 2.214 10 0 DEAERO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000245916777 519847453 /nfs/dbraw/zinc/84/74/53/519847453.db2.gz NHBKRIFZIKKERN-QAPCUYQASA-N 1 0 307.434 2.397 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)Cc2ccccc2F)C[C@@H]1CC ZINC000116767544 519915097 /nfs/dbraw/zinc/91/50/97/519915097.db2.gz IAHZFNKCZWDLCJ-INIZCTEOSA-N 1 0 322.424 2.328 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2noc(C(C)(C)C)n2)C[C@@H]1CC ZINC000106117025 519923890 /nfs/dbraw/zinc/92/38/90/519923890.db2.gz RIOFVGBGDRCSCM-AWEZNQCLSA-N 1 0 324.469 2.300 10 0 DEAERO CCCOc1ccc(CN2CCO[C@H](C[NH+](C)C)C2)cc1OC ZINC000128077818 520352530 /nfs/dbraw/zinc/35/25/30/520352530.db2.gz XIYWHGHLKPCXNJ-MRXNPFEDSA-N 1 0 322.449 2.246 10 0 DEAERO c1ccc(COCCCC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422841483 534489572 /nfs/dbraw/zinc/48/95/72/534489572.db2.gz VYJUMELBNBLQRT-RBUKOAKNSA-N 1 0 318.461 2.340 10 0 DEAERO CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000007541059 520637647 /nfs/dbraw/zinc/63/76/47/520637647.db2.gz LEBRSNHHRVXJIO-JTQLQIEISA-N 1 0 313.348 2.241 10 0 DEAERO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000156974220 521364555 /nfs/dbraw/zinc/36/45/55/521364555.db2.gz DKXGRACBUQOOHA-JKSUJKDBSA-N 1 0 323.481 2.014 10 0 DEAERO CCCN(C[C@@H]1CCCCO1)C(=O)NCC[N@H+](CC)C1CC1 ZINC000106555580 521675589 /nfs/dbraw/zinc/67/55/89/521675589.db2.gz XOLQGVVBYLCCPH-INIZCTEOSA-N 1 0 311.470 2.461 10 0 DEAERO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000246155108 521741505 /nfs/dbraw/zinc/74/15/05/521741505.db2.gz BOHBMFRTOCIKAO-DOMZBBRYSA-N 1 0 321.396 2.067 10 0 DEAERO C[NH2+]C1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000237107553 521947966 /nfs/dbraw/zinc/94/79/66/521947966.db2.gz HUZRZFDDAUXWRM-UHFFFAOYSA-N 1 0 306.793 2.326 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000131235398 522101829 /nfs/dbraw/zinc/10/18/29/522101829.db2.gz REZGAZSNHDKVBS-INIZCTEOSA-N 1 0 301.434 2.355 10 0 DEAERO COc1cc(C)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000247477581 522234643 /nfs/dbraw/zinc/23/46/43/522234643.db2.gz UCFOPZREHDYVDU-QWHCGFSZSA-N 1 0 306.406 2.264 10 0 DEAERO COC(=O)COc1c(C)cc(C[N@H+](C)C[C@H]2CCCO2)cc1C ZINC000128124634 523215714 /nfs/dbraw/zinc/21/57/14/523215714.db2.gz OJXOZASBXOEGKC-MRXNPFEDSA-N 1 0 321.417 2.466 10 0 DEAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccnn2C)C1 ZINC000111451244 523246998 /nfs/dbraw/zinc/24/69/98/523246998.db2.gz CIADAIUQFRBORU-CQSZACIVSA-N 1 0 321.469 2.120 10 0 DEAERO CC[C@H]1CN(CCOc2ccccc2OC)CC[N@@H+]1CCOC ZINC000105837204 523281858 /nfs/dbraw/zinc/28/18/58/523281858.db2.gz ROKUZLYEXPJYCS-INIZCTEOSA-N 1 0 322.449 2.117 10 0 DEAERO CC[C@@H]1CN(CCOc2ccccc2OC)CC[N@@H+]1CCOC ZINC000105837202 523444398 /nfs/dbraw/zinc/44/43/98/523444398.db2.gz ROKUZLYEXPJYCS-MRXNPFEDSA-N 1 0 322.449 2.117 10 0 DEAERO CC(=O)Nc1ccc(N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262031916 534746679 /nfs/dbraw/zinc/74/66/79/534746679.db2.gz XQHOROMUEHSZAW-GVDBMIGSSA-N 1 0 303.406 2.214 10 0 DEAERO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000111268469 524081860 /nfs/dbraw/zinc/08/18/60/524081860.db2.gz DMBJWIFYNNLGPH-OAHLLOKOSA-N 1 0 317.433 2.207 10 0 DEAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@@H]2CCCO2)C1 ZINC000102903480 524220560 /nfs/dbraw/zinc/22/05/60/524220560.db2.gz RMSUBGXZPXBVLG-CVEARBPZSA-N 1 0 311.470 2.319 10 0 DEAERO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000156335829 524223929 /nfs/dbraw/zinc/22/39/29/524223929.db2.gz QZVFKTMGQRIBTG-CQSZACIVSA-N 1 0 319.453 2.031 10 0 DEAERO C[C@H]([NH3+])[C@H](C)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000249025228 524846644 /nfs/dbraw/zinc/84/66/44/524846644.db2.gz LJCLITGVUZLNOM-OFQRWUPVSA-N 1 0 316.401 2.325 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccccc1S(=O)(=O)C(F)F ZINC000229601623 525009784 /nfs/dbraw/zinc/00/97/84/525009784.db2.gz QCXCAGKEZUWFNT-ZJUUUORDSA-N 1 0 304.362 2.235 10 0 DEAERO C[C@@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](C)CO ZINC000246993960 525191320 /nfs/dbraw/zinc/19/13/20/525191320.db2.gz HWKRVOZZLSEFML-LXTVHRRPSA-N 1 0 313.486 2.059 10 0 DEAERO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CSC(=O)N1)c1ccccc1 ZINC000155776348 525385891 /nfs/dbraw/zinc/38/58/91/525385891.db2.gz FESGACUJDONZFV-DGCLKSJQSA-N 1 0 321.446 2.057 10 0 DEAERO C[C@@H]1C[C@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000111599433 525491400 /nfs/dbraw/zinc/49/14/00/525491400.db2.gz OSMNNRZUMINHGL-NVXWUHKLSA-N 1 0 301.434 2.113 10 0 DEAERO C[C@H](c1ccccn1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000157653798 526125686 /nfs/dbraw/zinc/12/56/86/526125686.db2.gz QFRGURQWOBMDCB-HRBLRVMOSA-N 1 0 314.477 2.385 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105882708 526163950 /nfs/dbraw/zinc/16/39/50/526163950.db2.gz IEDIFPCEOCQHGI-CABCVRRESA-N 1 0 313.405 2.017 10 0 DEAERO C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245927216 526166102 /nfs/dbraw/zinc/16/61/02/526166102.db2.gz SXXGBAFEYIACAK-QLFBSQMISA-N 1 0 321.469 2.243 10 0 DEAERO CC(=O)N(Cc1ccc(NC(=O)N[C@@H](C)[C@H](C)[NH3+])cc1)C(C)C ZINC000415194265 526497168 /nfs/dbraw/zinc/49/71/68/526497168.db2.gz MTVPWFWVIMAXRO-STQMWFEESA-N 1 0 320.437 2.301 10 0 DEAERO c1cn(-c2ccc(C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)cn2)cn1 ZINC000154705875 526524180 /nfs/dbraw/zinc/52/41/80/526524180.db2.gz NHIUHJDAYNIBNM-QGZVFWFLSA-N 1 0 321.384 2.316 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000261740312 536503967 /nfs/dbraw/zinc/50/39/67/536503967.db2.gz DHEHMIVOAKWSSX-GHMZBOCLSA-N 1 0 311.451 2.358 10 0 DEAERO NC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000366025627 527023510 /nfs/dbraw/zinc/02/35/10/527023510.db2.gz RSEPMVZZGFLVOH-ZDUSSCGKSA-N 1 0 323.400 2.370 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000154344514 527586417 /nfs/dbraw/zinc/58/64/17/527586417.db2.gz RCRAQXGJZOBCTR-LBPRGKRZSA-N 1 0 321.469 2.401 10 0 DEAERO CCNC(=O)N1CC[C@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000438825839 528156342 /nfs/dbraw/zinc/15/63/42/528156342.db2.gz KBIAJFPRXAEIKC-ZDUSSCGKSA-N 1 0 313.804 2.415 10 0 DEAERO CCOC(=O)C1CCC(O)(C[NH2+][C@@H](CC)[C@@H]2CCCO2)CC1 ZINC000191053248 528628846 /nfs/dbraw/zinc/62/88/46/528628846.db2.gz HIGBXJKUKCUUGK-GWUWNPHMSA-N 1 0 313.438 2.018 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccn([C@@H](C)COC)n1 ZINC000189879338 529096849 /nfs/dbraw/zinc/09/68/49/529096849.db2.gz PJKKODIEZAMPIG-KBPBESRZSA-N 1 0 323.441 2.039 10 0 DEAERO CC(C)N(C)c1ccc(C[NH+]2CCC(n3cncn3)CC2)cn1 ZINC000191284772 535025252 /nfs/dbraw/zinc/02/52/52/535025252.db2.gz SWPSSEKMYFYVSJ-UHFFFAOYSA-N 1 0 314.437 2.355 10 0 DEAERO CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cn1 ZINC000248814678 535025397 /nfs/dbraw/zinc/02/53/97/535025397.db2.gz DHGDGJBGCCAXDQ-MRXNPFEDSA-N 1 0 314.437 2.355 10 0 DEAERO CC(C)Oc1ccccc1CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261890862 535057679 /nfs/dbraw/zinc/05/76/79/535057679.db2.gz VEVRQMKTUIPYCL-CALCHBBNSA-N 1 0 316.445 2.474 10 0 DEAERO CC(C)N1CC[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)C1=O ZINC000375206017 535237661 /nfs/dbraw/zinc/23/76/61/535237661.db2.gz GKBWTGMMGDCGIO-TVRKMHQQSA-N 1 0 316.445 2.416 10 0 DEAERO CCCS(=O)(=O)CC[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183173479 535294669 /nfs/dbraw/zinc/29/46/69/535294669.db2.gz CLXSVERPNLNSTE-AWEZNQCLSA-N 1 0 321.446 2.348 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](CC)N2CCCC2)C12CCOCC2 ZINC000248921567 535407591 /nfs/dbraw/zinc/40/75/91/535407591.db2.gz FDZPCJXFDFZXEN-GVDBMIGSSA-N 1 0 310.482 2.425 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NCc2ccc(F)cn2)CC1 ZINC000359068191 535448630 /nfs/dbraw/zinc/44/86/30/535448630.db2.gz GCWSUPIKZLMYAK-UHFFFAOYSA-N 1 0 308.401 2.142 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@H](C(C)C)C(C)(C)O)CC1 ZINC000358917461 535449789 /nfs/dbraw/zinc/44/97/89/535449789.db2.gz UWDDXVKGKWEONJ-OAHLLOKOSA-N 1 0 313.486 2.203 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[N@H+](CC)C2)C1(C)C ZINC000247079155 535452494 /nfs/dbraw/zinc/45/24/94/535452494.db2.gz VIJNQHWPNOSAMW-QLFBSQMISA-N 1 0 311.470 2.316 10 0 DEAERO CCOc1ccccc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246490947 535521654 /nfs/dbraw/zinc/52/16/54/535521654.db2.gz ANHVNIWMLQAQCT-GJZGRUSLSA-N 1 0 319.449 2.438 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000262701799 535526016 /nfs/dbraw/zinc/52/60/16/535526016.db2.gz IYZDZAJYPPPYOI-QGZVFWFLSA-N 1 0 323.412 2.000 10 0 DEAERO CCOCCN(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248699678 535566630 /nfs/dbraw/zinc/56/66/30/535566630.db2.gz ACBSXNFOWNYYDS-NVXWUHKLSA-N 1 0 319.449 2.185 10 0 DEAERO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000247001545 535596291 /nfs/dbraw/zinc/59/62/91/535596291.db2.gz RFSWDSRIEXUPMT-VBQJREDUSA-N 1 0 320.433 2.024 10 0 DEAERO CCOc1ncccc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247067289 535597376 /nfs/dbraw/zinc/59/73/76/535597376.db2.gz ITRAMZKLYBQGBW-HIFRSBDPSA-N 1 0 320.437 2.008 10 0 DEAERO CCN(CC)c1ncc(C[NH2+]CC[C@H](O)C(F)(F)F)s1 ZINC000349315171 535693048 /nfs/dbraw/zinc/69/30/48/535693048.db2.gz KUIJJAJRHIFVLZ-JTQLQIEISA-N 1 0 311.373 2.392 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cc(OC)nc2ccccc12 ZINC000262708631 535847615 /nfs/dbraw/zinc/84/76/15/535847615.db2.gz OEPHTRKCYGQBLK-MEDUHNTESA-N 1 0 301.390 2.233 10 0 DEAERO CN(C(=O)C1CCC(=O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355278030 535965028 /nfs/dbraw/zinc/96/50/28/535965028.db2.gz PHSDIVYXEHKSFL-KRWDZBQOSA-N 1 0 314.429 2.479 10 0 DEAERO CCc1cnc(CCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000247157284 536023499 /nfs/dbraw/zinc/02/34/99/536023499.db2.gz QFUDEHFEOVWYKI-OLZOCXBDSA-N 1 0 322.478 2.126 10 0 DEAERO CC[C@H](C(=O)OC(C)(C)C)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000248840187 536100347 /nfs/dbraw/zinc/10/03/47/536100347.db2.gz LDDDKSACBVMQRJ-LSDHHAIUSA-N 1 0 314.470 2.149 10 0 DEAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)CC1(CC(=O)OC)CCCC1 ZINC000456374835 536133430 /nfs/dbraw/zinc/13/34/30/536133430.db2.gz JIZBTHZSDDTTQG-HNNXBMFYSA-N 1 0 324.465 2.443 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cccc(OC)c1 ZINC000246944956 536166064 /nfs/dbraw/zinc/16/60/64/536166064.db2.gz LBQHWEJUUXEISL-HOTGVXAUSA-N 1 0 302.418 2.323 10 0 DEAERO COC(=O)[C@@H](C)[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000262480857 536443550 /nfs/dbraw/zinc/44/35/50/536443550.db2.gz YAHBCTPUIMDOEW-SDADXPQNSA-N 1 0 318.417 2.041 10 0 DEAERO CN1CC[C@H]([N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)C1=O ZINC000247539356 536478209 /nfs/dbraw/zinc/47/82/09/536478209.db2.gz QNXHJKYBSBOPML-WBVHZDCISA-N 1 0 324.428 2.487 10 0 DEAERO COC(=O)[C@H](C1CC1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359605972 536643879 /nfs/dbraw/zinc/64/38/79/536643879.db2.gz YJMPSWKNEQWVMO-AEFFLSMTSA-N 1 0 316.445 2.392 10 0 DEAERO COc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261881376 536652864 /nfs/dbraw/zinc/65/28/64/536652864.db2.gz FIEMAQJKRRKYLU-BRWVUGGUSA-N 1 0 304.434 2.250 10 0 DEAERO COCc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248151880 536751897 /nfs/dbraw/zinc/75/18/97/536751897.db2.gz QVMXZFRTDLBBCH-DLBZAZTESA-N 1 0 302.418 2.389 10 0 DEAERO COc1cc(C[NH2+]CCN2CC=C(C)CC2)cc(OC)c1OC ZINC000358165412 536797903 /nfs/dbraw/zinc/79/79/03/536797903.db2.gz LJHBASUDCCMQOI-UHFFFAOYSA-N 1 0 320.433 2.454 10 0 DEAERO COc1ccc(-c2ccccc2)cc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262128009 536896536 /nfs/dbraw/zinc/89/65/36/536896536.db2.gz NJVCSYZXNMHJIY-MSOLQXFVSA-N 1 0 312.413 2.032 10 0 DEAERO COc1ccc(-c2ccccc2)cc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000262128018 536896989 /nfs/dbraw/zinc/89/69/89/536896989.db2.gz NJVCSYZXNMHJIY-ZWKOTPCHSA-N 1 0 312.413 2.032 10 0 DEAERO CC(C)[C@]1(CO)C[C@@H]1C[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000685960730 563961476 /nfs/dbraw/zinc/96/14/76/563961476.db2.gz AUIDQLXODYEFCG-RHSMWYFYSA-N 1 0 312.454 2.194 10 0 DEAERO COCCOCCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183175154 625294883 /nfs/dbraw/zinc/29/48/83/625294883.db2.gz ZMCTVTPIRNPETR-KRWDZBQOSA-N 1 0 321.417 2.247 10 0 DEAERO Cc1cc([C@@H](C)NS(=O)(=O)[C@@H]2CCC[NH2+]C2)c(C)s1 ZINC000049645967 622715225 /nfs/dbraw/zinc/71/52/25/622715225.db2.gz ROAOAVLGLKNKQP-ZYHUDNBSSA-N 1 0 302.465 2.097 10 0 DEAERO C[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000049645470 622716321 /nfs/dbraw/zinc/71/63/21/622716321.db2.gz MHKIBTNWPDLGKU-BDAKNGLRSA-N 1 0 308.856 2.134 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccnn1C ZINC000193057539 625599034 /nfs/dbraw/zinc/59/90/34/625599034.db2.gz QYOCVJIMVNNFTF-GOEBONIOSA-N 1 0 312.417 2.262 10 0 DEAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1F ZINC000757185501 623233815 /nfs/dbraw/zinc/23/38/15/623233815.db2.gz WNIJQQIKBPHWNM-NXEZZACHSA-N 1 0 302.143 2.064 10 0 DEAERO CC[C@H]1CCc2c(sc(=O)n2CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247166876 623251466 /nfs/dbraw/zinc/25/14/66/623251466.db2.gz TUAGCBAFIKUFBB-KBPBESRZSA-N 1 0 321.490 2.162 10 0 DEAERO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255164410 623671574 /nfs/dbraw/zinc/67/15/74/623671574.db2.gz MBBDDGDPUFVOBL-QIENPNARSA-N 1 0 312.410 2.200 10 0 DEAERO O=S(=O)(/C=C\c1ccccc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000255358769 624191747 /nfs/dbraw/zinc/19/17/47/624191747.db2.gz ZPTMHHWTCFYGRO-RAXLEYEMSA-N 1 0 320.458 2.451 10 0 DEAERO COCCOC[C@@H]1CC[N@H+](C[C@H](O)c2cc(C)cc(C)c2)C1 ZINC000247461596 624637472 /nfs/dbraw/zinc/63/74/72/624637472.db2.gz ILMUHIFAUGNBLR-AEFFLSMTSA-N 1 0 307.434 2.322 10 0 DEAERO C[NH2+]CC1CCN(S(=O)(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000255435790 624724201 /nfs/dbraw/zinc/72/42/01/624724201.db2.gz PTYOQVPAVAVRDE-FLIBITNWSA-N 1 0 312.410 2.058 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000052792490 625103531 /nfs/dbraw/zinc/10/35/31/625103531.db2.gz NYTNZRUVJSKOOH-BXKDBHETSA-N 1 0 304.312 2.246 10 0 DEAERO COCC[C@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000052808485 625104718 /nfs/dbraw/zinc/10/47/18/625104718.db2.gz HTFHCCNGKZYUOS-LBPRGKRZSA-N 1 0 305.205 2.316 10 0 DEAERO OC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CCCCC1 ZINC000312043389 625190084 /nfs/dbraw/zinc/19/00/84/625190084.db2.gz STTBBDUJFXZZTC-SFHVURJKSA-N 1 0 318.461 2.172 10 0 DEAERO COCC(=O)N1CCC[N@H+](C/C(C)=C\c2ccccc2)CC1 ZINC000096766705 625193994 /nfs/dbraw/zinc/19/39/94/625193994.db2.gz OZFUOGWFAZTFOV-SSZFMOIBSA-N 1 0 302.418 2.271 10 0 DEAERO O=C(OCCc1cnccn1)[C@@H]1CCCN1Cc1ccccc1 ZINC000179705323 625828138 /nfs/dbraw/zinc/82/81/38/625828138.db2.gz LERVYYBRKQIIGZ-KRWDZBQOSA-N 1 0 311.385 2.227 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000237084698 636379856 /nfs/dbraw/zinc/37/98/56/636379856.db2.gz OFZWTACXENUMBS-LYOVBCGYSA-N 1 0 306.406 2.008 10 0 DEAERO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)C1 ZINC000119919943 636520854 /nfs/dbraw/zinc/52/08/54/636520854.db2.gz AZRFOOYBVFTQJH-IHRRRGAJSA-N 1 0 302.484 2.072 10 0 DEAERO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc2ccccc21 ZINC000122145889 636669457 /nfs/dbraw/zinc/66/94/57/636669457.db2.gz MUSUEILFLLNZPG-AWEZNQCLSA-N 1 0 304.415 2.212 10 0 DEAERO C[C@H](C[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C(=O)OC(C)(C)C ZINC000304353837 637239659 /nfs/dbraw/zinc/23/96/59/637239659.db2.gz XMRJQVXPJQQCKR-GFCCVEGCSA-N 1 0 321.421 2.131 10 0 DEAERO O=C(CCc1cccs1)N(C(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000223164806 637433262 /nfs/dbraw/zinc/43/32/62/637433262.db2.gz YHSDMQCIZLYDNP-GFCCVEGCSA-N 1 0 306.431 2.198 10 0 DEAERO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000178969004 637526309 /nfs/dbraw/zinc/52/63/09/637526309.db2.gz YSFRCRQKICMQIA-GDXASINISA-N 1 0 314.426 2.431 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](COC)c1ccccc1 ZINC000727089641 637734669 /nfs/dbraw/zinc/73/46/69/637734669.db2.gz VIIHAFUQHHSUNH-HOTGVXAUSA-N 1 0 321.490 2.323 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000751435949 639081253 /nfs/dbraw/zinc/08/12/53/639081253.db2.gz PYXWRSLYFZRPEC-IAGOWNOFSA-N 1 0 324.465 2.047 10 0 DEAERO C[C@@H](CO)C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000751579746 639096426 /nfs/dbraw/zinc/09/64/26/639096426.db2.gz IDBIYSRSKDPHIZ-MFKMUULPSA-N 1 0 302.212 2.043 10 0 DEAERO Cc1nc2c(nccc2C(=O)N(CC[NH+](C)C)c2ccccc2)[nH]1 ZINC000435684868 642530117 /nfs/dbraw/zinc/53/01/17/642530117.db2.gz WLNBEUZQNPYCDE-UHFFFAOYSA-N 1 0 323.400 2.475 10 0 DEAERO CCC[C@@H](C(=O)N[C@@H](C)CC(=O)OCc1ccccc1)[NH+](C)C ZINC000121527976 650906968 /nfs/dbraw/zinc/90/69/68/650906968.db2.gz GTKCIPUAUAQYRH-HOCLYGCPSA-N 1 0 320.433 2.355 10 0 DEAERO COC(=O)C[C@@]1([NH2+]Cc2ccc([Si](C)(C)C)cc2)CCOC1 ZINC000801941803 645466604 /nfs/dbraw/zinc/46/66/04/645466604.db2.gz XTPVOEZTLPOVHM-KRWDZBQOSA-N 1 0 321.493 2.044 10 0 DEAERO c1oc(C2CC2)nc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000802655169 645540848 /nfs/dbraw/zinc/54/08/48/645540848.db2.gz RAVBPWSQUWSACR-CQSZACIVSA-N 1 0 305.422 2.096 10 0 DEAERO CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCCC12OCCO2 ZINC000804567337 645791442 /nfs/dbraw/zinc/79/14/42/645791442.db2.gz LXMNRFKPZXAPAP-MRXNPFEDSA-N 1 0 324.465 2.254 10 0 DEAERO C[C@@H]1CCC[C@](CNC(=O)Cc2ccc(F)cn2)([NH+](C)C)C1 ZINC000806546584 645845251 /nfs/dbraw/zinc/84/52/51/645845251.db2.gz TWUSVGZQZKTYOG-DYVFJYSZSA-N 1 0 307.413 2.390 10 0 DEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(F)c(Br)c1 ZINC000757184299 645938190 /nfs/dbraw/zinc/93/81/90/645938190.db2.gz KNDHBWZCVXKTTB-VHSXEESVSA-N 1 0 316.170 2.454 10 0 DEAERO CCOCC[N@@H+]1CCN(Cn2ncc(Cl)c2C)C[C@@H]1CC ZINC000156698030 646446147 /nfs/dbraw/zinc/44/61/47/646446147.db2.gz HOGGNIWFWQDIDZ-AWEZNQCLSA-N 1 0 314.861 2.235 10 0 DEAERO COc1c2c(sc1C(=O)NCC[NH+]1CCCC1)CCCC2 ZINC000223466054 646495566 /nfs/dbraw/zinc/49/55/66/646495566.db2.gz XJYVORBSODABEG-UHFFFAOYSA-N 1 0 308.447 2.461 10 0 DEAERO O=C(NCC1(C[NH+]2CCCC2)CC1)C1=Cc2ccccc2OC1 ZINC000223547272 646499162 /nfs/dbraw/zinc/49/91/62/646499162.db2.gz XJWZDEIEERWQEQ-UHFFFAOYSA-N 1 0 312.413 2.455 10 0 DEAERO O=C(NCC1(C[NH+]2CCCC2)CCOCC1)c1cccs1 ZINC000223605291 646500208 /nfs/dbraw/zinc/50/02/08/646500208.db2.gz SUTBZDKAAKEEKS-UHFFFAOYSA-N 1 0 308.447 2.371 10 0 DEAERO Cc1cc2c(nc(N3CCCC3)nc2NCC[NH+]2CCCC2)[nH]1 ZINC000223931013 646506320 /nfs/dbraw/zinc/50/63/20/646506320.db2.gz VIHHDPKRROFLGI-UHFFFAOYSA-N 1 0 314.437 2.374 10 0 DEAERO COc1ccc(C[NH2+]C2CCS(=O)CC2)cc1OC(F)F ZINC000158009450 646585223 /nfs/dbraw/zinc/58/52/23/646585223.db2.gz ZKRBIIQHOBSEBT-UHFFFAOYSA-N 1 0 319.373 2.297 10 0 DEAERO CCCn1nccc1C[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC000227759194 646606401 /nfs/dbraw/zinc/60/64/01/646606401.db2.gz RFGWINHXYYTVOM-VOTSOKGWSA-N 1 0 308.426 2.464 10 0 DEAERO Cc1nc2c(cnn2C)c(N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000171632439 646708796 /nfs/dbraw/zinc/70/87/96/646708796.db2.gz FITDKKAAMKKWGO-AWEZNQCLSA-N 1 0 314.437 2.126 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sccc1C(N)=O)C1CCCC1 ZINC000172170257 646725977 /nfs/dbraw/zinc/72/59/77/646725977.db2.gz ZPTWFUDIQOYKJW-ZJUUUORDSA-N 1 0 309.435 2.342 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000063734851 646784419 /nfs/dbraw/zinc/78/44/19/646784419.db2.gz XPKCNHNFJSPKKR-UHFFFAOYSA-N 1 0 306.797 2.154 10 0 DEAERO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151894565 647041651 /nfs/dbraw/zinc/04/16/51/647041651.db2.gz LUWFHLORWDVJBY-KGLIPLIRSA-N 1 0 308.422 2.472 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000174788190 647345305 /nfs/dbraw/zinc/34/53/05/647345305.db2.gz PFHUPFFMRHUEJD-WMZOPIPTSA-N 1 0 314.433 2.341 10 0 DEAERO [NH3+]CC[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000070074031 648840819 /nfs/dbraw/zinc/84/08/19/648840819.db2.gz MRNNKGZYSLIYGX-LLVKDONJSA-N 1 0 318.389 2.248 10 0 DEAERO O=C(C[NH2+]CCc1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000243102250 648875974 /nfs/dbraw/zinc/87/59/74/648875974.db2.gz JBXSBLRSWMYMMR-UHFFFAOYSA-N 1 0 312.369 2.229 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185301256 649490926 /nfs/dbraw/zinc/49/09/26/649490926.db2.gz WVCFMTTULFVSEH-CYBMUJFWSA-N 1 0 302.758 2.125 10 0 DEAERO Cc1nc(CC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cs1 ZINC000111139362 652514215 /nfs/dbraw/zinc/51/42/15/652514215.db2.gz MGTOGGSKOUZHEK-HNNXBMFYSA-N 1 0 303.431 2.413 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NCc1nc(Br)c[nH]1 ZINC000380079731 685394370 /nfs/dbraw/zinc/39/43/70/685394370.db2.gz RWWHAKKTEXLYTC-JTQLQIEISA-N 1 0 301.232 2.136 10 0 DEAERO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(N)[nH+]1 ZINC000379700228 685392282 /nfs/dbraw/zinc/39/22/82/685392282.db2.gz RPMZUMKUEYJVJI-GDBMZVCRSA-N 1 0 311.433 2.084 10 0 DEAERO [NH3+]C[C@@H]1CCCN1Cc1ccccc1I ZINC000381237865 685400419 /nfs/dbraw/zinc/40/04/19/685400419.db2.gz MHJTVBGQIXBVQI-NSHDSACASA-N 1 0 316.186 2.214 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cnc(N)cn1 ZINC000382836121 685405739 /nfs/dbraw/zinc/40/57/39/685405739.db2.gz QVXOETRFOCNWJK-OAHLLOKOSA-N 1 0 311.433 2.155 10 0 DEAERO CC[C@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)C(N)=O ZINC000386187650 685416508 /nfs/dbraw/zinc/41/65/08/685416508.db2.gz HQUJKHXRELDGLP-WDEREUQCSA-N 1 0 313.195 2.126 10 0 DEAERO CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000389806505 685436099 /nfs/dbraw/zinc/43/60/99/685436099.db2.gz LMUQSFRLIHKSKG-AWEZNQCLSA-N 1 0 310.394 2.395 10 0 DEAERO CCCc1ccc(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000040225560 683888593 /nfs/dbraw/zinc/88/85/93/683888593.db2.gz SFYUHKNHFROVHS-ZDUSSCGKSA-N 1 0 310.463 2.306 10 0 DEAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC1CCCCCCC1 ZINC000049189472 683920243 /nfs/dbraw/zinc/92/02/43/683920243.db2.gz TVUZKZPNUSGVGR-MRXNPFEDSA-N 1 0 311.470 2.245 10 0 DEAERO COCCOC[C@H]1CC[N@H+](C[C@H](O)c2cc(C)cc(C)c2)C1 ZINC000075949397 683939557 /nfs/dbraw/zinc/93/95/57/683939557.db2.gz ILMUHIFAUGNBLR-WMZOPIPTSA-N 1 0 307.434 2.322 10 0 DEAERO CCCCO[C@@H]1C[C@H]([N@H+](C)CN2CCOC2=S)C1(C)C ZINC000083114771 683996709 /nfs/dbraw/zinc/99/67/09/683996709.db2.gz GFZKUNPVNXTJOE-QWHCGFSZSA-N 1 0 300.468 2.477 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)[C@@H](C)C[NH2+]1 ZINC000086468522 684012813 /nfs/dbraw/zinc/01/28/13/684012813.db2.gz KKXUUNSXJOKVHL-LASXONHFSA-N 1 0 314.838 2.323 10 0 DEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000093795574 684051647 /nfs/dbraw/zinc/05/16/47/684051647.db2.gz GMSADIAVRUYQNL-CVEARBPZSA-N 1 0 315.417 2.248 10 0 DEAERO CC1(OCC(=O)Nc2ccccc2SC(F)F)C[NH2+]C1 ZINC000098060505 684056418 /nfs/dbraw/zinc/05/64/18/684056418.db2.gz NISZFHZGPZVGQN-UHFFFAOYSA-N 1 0 302.346 2.318 10 0 DEAERO Cc1noc(C)c1[C@H](C)C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000119290342 684079316 /nfs/dbraw/zinc/07/93/16/684079316.db2.gz QLDZXPPQIULDRB-SWLSCSKDSA-N 1 0 324.421 2.295 10 0 DEAERO Cc1nnc(COC(=O)[C@H](C(C)C)[NH+]2CCCCC2)n1C1CC1 ZINC000120775526 684100940 /nfs/dbraw/zinc/10/09/40/684100940.db2.gz JUBQGNIAZIFIJN-INIZCTEOSA-N 1 0 320.437 2.475 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)COc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000124507506 684135472 /nfs/dbraw/zinc/13/54/72/684135472.db2.gz BWJDCRYKNPINFH-YOEHRIQHSA-N 1 0 316.445 2.495 10 0 DEAERO Fc1cccc(CN(C[C@H]2CCCO2)CN2CCOC2=S)c1 ZINC000124596068 684136353 /nfs/dbraw/zinc/13/63/53/684136353.db2.gz GEBUUFTUUUKZQM-OAHLLOKOSA-N 1 0 324.421 2.381 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)c2ccc(OC)cc2)C1 ZINC000131782524 684202388 /nfs/dbraw/zinc/20/23/88/684202388.db2.gz BBDROICQRHXXEN-CYBMUJFWSA-N 1 0 312.360 2.388 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CN1C(=O)C(C)(C)C1(C)C ZINC000176073407 684332542 /nfs/dbraw/zinc/33/25/42/684332542.db2.gz BBZAVMCIXNCGMS-AWEZNQCLSA-N 1 0 304.438 2.260 10 0 DEAERO COC[C@@H](C)CNc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000187530032 684340182 /nfs/dbraw/zinc/34/01/82/684340182.db2.gz LQWWVVNIJWJUTL-INIZCTEOSA-N 1 0 321.465 2.007 10 0 DEAERO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)/C=C/c1ccccc1 ZINC000189135852 684373783 /nfs/dbraw/zinc/37/37/83/684373783.db2.gz MJFILVQEUMZEQS-JLHYYAGUSA-N 1 0 308.447 2.403 10 0 DEAERO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1(C)OCCCO1 ZINC000190660535 684410472 /nfs/dbraw/zinc/41/04/72/684410472.db2.gz BBJKSZAHZQPOCJ-ZDUSSCGKSA-N 1 0 307.390 2.479 10 0 DEAERO CCOC1CC(CC(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000191088417 684420457 /nfs/dbraw/zinc/42/04/57/684420457.db2.gz SQAORNKTYCQVIU-UYSNPLJNSA-N 1 0 313.438 2.092 10 0 DEAERO CCC[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)OC(C)(C)C ZINC000192834166 684458339 /nfs/dbraw/zinc/45/83/39/684458339.db2.gz MKVSMBHZDHQYGI-OAHLLOKOSA-N 1 0 324.465 2.487 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)Cc2cccc(F)c2)C1 ZINC000194457372 685067195 /nfs/dbraw/zinc/06/71/95/685067195.db2.gz FUTRYQBLNQGCFN-INIZCTEOSA-N 1 0 309.381 2.268 10 0 DEAERO CCNS(=O)(=O)CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000223163153 685107233 /nfs/dbraw/zinc/10/72/33/685107233.db2.gz IHUCOAVMWHDFDG-AWEZNQCLSA-N 1 0 316.854 2.320 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000246285318 685127148 /nfs/dbraw/zinc/12/71/48/685127148.db2.gz BWURVULUHSCUPK-LSDHHAIUSA-N 1 0 310.825 2.364 10 0 DEAERO COc1ccccc1[C@H](O)CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000246707070 685134581 /nfs/dbraw/zinc/13/45/81/685134581.db2.gz WQOLEMBIZWKFCQ-NUEKZKHPSA-N 1 0 320.433 2.143 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC[C@@](C)(O)c2ccccc2)C1 ZINC000249137304 685175616 /nfs/dbraw/zinc/17/56/16/685175616.db2.gz HROFMMXHAASSPC-SJLPKXTDSA-N 1 0 319.449 2.068 10 0 DEAERO Cn1cc(O[C@@H]2COC[C@@H]2[NH2+]Cc2ccc3occc3c2)cn1 ZINC000862495805 686311130 /nfs/dbraw/zinc/31/11/30/686311130.db2.gz DRKGFIGRZJPODA-DOTOQJQBSA-N 1 0 313.357 2.102 10 0 DEAERO O[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000931119964 694320797 /nfs/dbraw/zinc/32/07/97/694320797.db2.gz BQUNDYOMZDCGJF-SJORKVTESA-N 1 0 312.417 2.006 10 0 DEAERO CCN1C(=O)C[C@@H](C[NH2+]Cc2ccccn2)[C@@H]1c1cccnc1 ZINC000886062991 691995707 /nfs/dbraw/zinc/99/57/07/691995707.db2.gz QHPYHFIMFWYUOE-YJBOKZPZSA-N 1 0 310.401 2.176 10 0 DEAERO CN1C(=O)C[C@@H](C[NH2+]C2CCSCC2)[C@@H]1c1cccnc1 ZINC000886062980 691995869 /nfs/dbraw/zinc/99/58/69/691995869.db2.gz JVGMXOPNSWTHDO-BBRMVZONSA-N 1 0 305.447 2.086 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000886095539 692002583 /nfs/dbraw/zinc/00/25/83/692002583.db2.gz ZSDKYCNPDNRAFU-KHIZAZIESA-N 1 0 317.437 2.199 10 0 DEAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000176528285 782505020 /nfs/dbraw/zinc/50/50/20/782505020.db2.gz NSYKFDKHSZURSL-WYMLVPIESA-N 1 0 320.408 2.144 10 0 DEAERO CN1C[C@H](CC[NH2+]Cc2occc2Br)CC1=O ZINC000723553279 777121555 /nfs/dbraw/zinc/12/15/55/777121555.db2.gz RWKKODBALHPYFS-SECBINFHSA-N 1 0 301.184 2.000 10 0 DEAERO COCC1(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CCC1 ZINC000724037944 777226773 /nfs/dbraw/zinc/22/67/73/777226773.db2.gz WKTIIZTYMAPACE-SECBINFHSA-N 1 0 305.287 2.341 10 0 DEAERO C[C@@](O)(C[N@@H+]1CCC[C@H](CO)CC1)C(F)(F)C(F)(F)F ZINC000724041295 777228357 /nfs/dbraw/zinc/22/83/57/777228357.db2.gz NGCWVMDLZJTNAO-VHSXEESVSA-N 1 0 305.287 2.029 10 0 DEAERO CO[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC000724315441 777273702 /nfs/dbraw/zinc/27/37/02/777273702.db2.gz ZWKKMOQYDMBMMK-ZWBVZUSMSA-N 1 0 301.452 2.032 10 0 DEAERO CO[C@H]1CCC[C@@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000724668544 777453543 /nfs/dbraw/zinc/45/35/43/777453543.db2.gz FJZFZIFHUTWDQX-MCIONIFRSA-N 1 0 314.426 2.475 10 0 DEAERO CC[NH2+]CC1CCN(S(=O)(=O)c2c(C)csc2C)CC1 ZINC000725118529 777588587 /nfs/dbraw/zinc/58/85/87/777588587.db2.gz CCNKNAFVJXIRNS-UHFFFAOYSA-N 1 0 316.492 2.375 10 0 DEAERO CC[C@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000722236736 778511739 /nfs/dbraw/zinc/51/17/39/778511739.db2.gz YVFAYDFHTMINJB-KGLIPLIRSA-N 1 0 316.854 2.463 10 0 DEAERO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)CC1 ZINC000721252961 780555375 /nfs/dbraw/zinc/55/53/75/780555375.db2.gz BWISDRGQLNOKKW-KFWWJZLASA-N 1 0 303.468 2.139 10 0 DEAERO CO[C@@]1(C[NH2+][C@@H]2CCCCCC2(C)C)CCS(=O)(=O)C1 ZINC000721240597 781735789 /nfs/dbraw/zinc/73/57/89/781735789.db2.gz AUXVXROEGWMPNN-UKRRQHHQSA-N 1 0 303.468 2.139 10 0 DEAERO CO[C@]1(C[NH2+][C@H](C)c2csc(Cl)c2)CCS(=O)(=O)C1 ZINC000721209912 784250065 /nfs/dbraw/zinc/25/00/65/784250065.db2.gz DVKRDWXLVSXVPJ-SKDRFNHKSA-N 1 0 323.867 2.256 10 0 DEAERO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cnc3cc(C)ccn23)C1(C)C ZINC000186578278 784405042 /nfs/dbraw/zinc/40/50/42/784405042.db2.gz ZWZZDDGIUXYMAA-CRAIPNDOSA-N 1 0 317.433 2.298 10 0 DEAERO COc1cncc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000721860229 787324241 /nfs/dbraw/zinc/32/42/41/787324241.db2.gz KKVGOHXVZYTAAR-IUODEOHRSA-N 1 0 321.421 2.435 10 0 DEAERO O=C(c1cc(Cl)ncc1Cl)N1CC[NH+]2CCC1CC2 ZINC000722764719 787338335 /nfs/dbraw/zinc/33/83/35/787338335.db2.gz CPBJVGWRSABBBW-UHFFFAOYSA-N 1 0 300.189 2.309 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000724026753 787347093 /nfs/dbraw/zinc/34/70/93/787347093.db2.gz HKNFRAMNQRRIDH-LSDHHAIUSA-N 1 0 322.453 2.475 10 0 DEAERO CCOC1CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724110237 787349526 /nfs/dbraw/zinc/34/95/26/787349526.db2.gz CYVWVHDPNDWNEX-JTQLQIEISA-N 1 0 305.287 2.436 10 0 DEAERO Cc1nccnc1[C@@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000397637152 790207738 /nfs/dbraw/zinc/20/77/38/790207738.db2.gz PVPKSKOPQKAIQI-GFCCVEGCSA-N 1 0 306.410 2.303 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CN1C1CC1 ZINC000397759909 790217359 /nfs/dbraw/zinc/21/73/59/790217359.db2.gz UWXVEPQCJGKUQG-GXTWGEPZSA-N 1 0 309.454 2.068 10 0 DEAERO CC1CCC(O)(C[NH2+]Cc2cn(C)nc2Br)CC1 ZINC000712471941 792190010 /nfs/dbraw/zinc/19/00/10/792190010.db2.gz XKECAFXOOLVQDQ-UHFFFAOYSA-N 1 0 316.243 2.213 10 0 DEAERO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cccc(O)c1Cl ZINC000714334778 792309521 /nfs/dbraw/zinc/30/95/21/792309521.db2.gz KWUBPXJDTCRPMT-NSHDSACASA-N 1 0 303.811 2.103 10 0 DEAERO O=S1(=O)CCC[C@@H]1CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000714374028 792313044 /nfs/dbraw/zinc/31/30/44/792313044.db2.gz YOXUHBFVUFOMND-UONOGXRCSA-N 1 0 301.452 2.035 10 0 DEAERO CC(C)[C@H](C(=O)NCc1ncc(Br)s1)[C@H](C)[NH3+] ZINC000714950529 792374428 /nfs/dbraw/zinc/37/44/28/792374428.db2.gz JULAWMCIGCKXSR-XVKPBYJWSA-N 1 0 320.256 2.141 10 0 DEAERO Cc1ccc(O)c(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000715146258 792398060 /nfs/dbraw/zinc/39/80/60/792398060.db2.gz LQJQBNLJXLIIIM-BETUJISGSA-N 1 0 321.421 2.489 10 0 DEAERO Cc1cccc(C(=O)NC23CC[NH+](CC2)C3)c1Br ZINC000715502631 792470088 /nfs/dbraw/zinc/47/00/88/792470088.db2.gz SVUOETFOVYHTSF-UHFFFAOYSA-N 1 0 309.207 2.336 10 0 DEAERO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000716444726 792959160 /nfs/dbraw/zinc/95/91/60/792959160.db2.gz ANZPCKNUOLRHEU-QWHCGFSZSA-N 1 0 308.426 2.453 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000716567096 792974353 /nfs/dbraw/zinc/97/43/53/792974353.db2.gz NWXHSWQAOPQOIG-NSHDSACASA-N 1 0 316.854 2.315 10 0 DEAERO NC(=O)C1CC([NH2+]Cc2cccc(Br)c2Cl)C1 ZINC000716699322 793001432 /nfs/dbraw/zinc/00/14/32/793001432.db2.gz PRECCPCXLQUXTF-UHFFFAOYSA-N 1 0 317.614 2.456 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC[C@H](O)C(F)F)C1 ZINC000716751407 793005373 /nfs/dbraw/zinc/00/53/73/793005373.db2.gz GJHOUKYMGMWDAL-UTUOFQBUSA-N 1 0 322.396 2.428 10 0 DEAERO NC(=O)C1CC([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000716755887 793005576 /nfs/dbraw/zinc/00/55/76/793005576.db2.gz UQAVPARQCZQASC-QEIKUCIBSA-N 1 0 309.207 2.290 10 0 DEAERO CC[C@H](C[C@H](C)O)[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000716852983 793010168 /nfs/dbraw/zinc/01/01/68/793010168.db2.gz NKMQHCKBRMBFSW-YUTCNCBUSA-N 1 0 301.814 2.219 10 0 DEAERO C[C@]1(C(F)(F)F)CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000717398337 799395800 /nfs/dbraw/zinc/39/58/00/799395800.db2.gz UJLMRQBUCFTPPQ-WPRPVWTQSA-N 1 0 300.271 2.032 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401654608 801837249 /nfs/dbraw/zinc/83/72/49/801837249.db2.gz SLNWNUIESFRVMI-SNPRPXQTSA-N 1 0 312.454 2.383 10 0 DEAERO CN1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401944110 801859716 /nfs/dbraw/zinc/85/97/16/801859716.db2.gz QEEJGTUYLJXWID-IRXDYDNUSA-N 1 0 317.433 2.081 10 0 DEAERO O[C@]1(CC[NH2+]Cc2ccc(CSC(F)F)o2)CCOC1 ZINC000404203378 802008497 /nfs/dbraw/zinc/00/84/97/802008497.db2.gz SDUBQLWDQORHLV-CYBMUJFWSA-N 1 0 307.362 2.367 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2ccc(CSC(F)F)o2)CCOC1 ZINC000404203379 802008877 /nfs/dbraw/zinc/00/88/77/802008877.db2.gz SDUBQLWDQORHLV-ZDUSSCGKSA-N 1 0 307.362 2.367 10 0 DEAERO Cn1cnc(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)c1 ZINC000404669595 802027536 /nfs/dbraw/zinc/02/75/36/802027536.db2.gz VKCXUEBEIDYMFK-KBPBESRZSA-N 1 0 320.437 2.346 10 0 DEAERO Cn1cnc(CC[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1 ZINC000404792361 802030702 /nfs/dbraw/zinc/03/07/02/802030702.db2.gz FTDXFMGKCMLMAW-KGLIPLIRSA-N 1 0 322.453 2.244 10 0 DEAERO C[C@H](CCO)C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405246934 802045636 /nfs/dbraw/zinc/04/56/36/802045636.db2.gz GHCYNYRQLRKLJJ-RDBSUJKOSA-N 1 0 312.454 2.430 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)CO[C@H]1C ZINC000405565022 802072531 /nfs/dbraw/zinc/07/25/31/802072531.db2.gz VBDYLLQEPHKUMY-DKKFBQAASA-N 1 0 318.461 2.291 10 0 DEAERO COCC[NH2+]CCN(C)C(=O)c1cc(Cl)sc1Cl ZINC000721708170 1084043664 /nfs/dbraw/zinc/04/36/64/1084043664.db2.gz YCKFNGXHLAYGCG-UHFFFAOYSA-N 1 0 311.234 2.363 10 0 DEAERO CC1(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC(F)(F)C1 ZINC000720471833 1085134046 /nfs/dbraw/zinc/13/40/46/1085134046.db2.gz JFZYTWFCPLTHGK-HTQZYQBOSA-N 1 0 300.271 2.017 10 0 DEAERO CO[C@@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2Br)C1 ZINC000720645731 1085803554 /nfs/dbraw/zinc/80/35/54/1085803554.db2.gz LZIFYTOSECNBSV-WDEREUQCSA-N 1 0 302.216 2.230 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(Br)cn1 ZINC000720819085 1086168800 /nfs/dbraw/zinc/16/88/00/1086168800.db2.gz YFTOEBIZYRDAMV-OLZOCXBDSA-N 1 0 324.222 2.153 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccncc1Br ZINC000720831073 1086193794 /nfs/dbraw/zinc/19/37/94/1086193794.db2.gz SBQWAQIFNXHVIA-QWHCGFSZSA-N 1 0 324.222 2.153 10 0 DEAERO O=S(=O)(NCc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000700729142 1086330492 /nfs/dbraw/zinc/33/04/92/1086330492.db2.gz QCGWYNCWLMBOHX-JTQLQIEISA-N 1 0 323.245 2.165 10 0 DEAERO C[C@@H]1[C@@H]([NH2+][C@H]2CCN(C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000700748585 1086333666 /nfs/dbraw/zinc/33/36/66/1086333666.db2.gz BPULPXGLKFHHRV-KBXIAJHMSA-N 1 0 311.470 2.457 10 0 DEAERO COC(=O)c1sc(N2CC[C@@H](CC[NH+](C)C)C2)nc1Cl ZINC000701447684 1086364538 /nfs/dbraw/zinc/36/45/38/1086364538.db2.gz QUBDJGZAGRCQHD-SECBINFHSA-N 1 0 317.842 2.361 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C1CCC(O)CC1)C2 ZINC000701930842 1086394250 /nfs/dbraw/zinc/39/42/50/1086394250.db2.gz LGKUTQPKGDYSPS-UHFFFAOYSA-N 1 0 310.438 2.279 10 0 DEAERO C[C@@H]1COCC[C@H]1[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701932725 1086394359 /nfs/dbraw/zinc/39/43/59/1086394359.db2.gz XHHFASBPZCNSIJ-SMOJQAGNSA-N 1 0 310.438 2.401 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccoc3Br)C[C@]2(C)C1 ZINC000702478862 1086436874 /nfs/dbraw/zinc/43/68/74/1086436874.db2.gz ZQINDYSTZIRZEN-RNCFNFMXSA-N 1 0 313.195 2.066 10 0 DEAERO C[C@@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](C)O ZINC000702598286 1086444721 /nfs/dbraw/zinc/44/47/21/1086444721.db2.gz DOCMTBXWSFUJOE-OLZOCXBDSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CCC(C)(O)CC1 ZINC000703007846 1086476426 /nfs/dbraw/zinc/47/64/26/1086476426.db2.gz CKEFIRYCIDHDLK-VEAWUBTESA-N 1 0 300.443 2.430 10 0 DEAERO C[C@@H](CC(=O)NCCC1SCCS1)[C@@H]1CCC[NH2+]C1 ZINC000703343067 1086493610 /nfs/dbraw/zinc/49/36/10/1086493610.db2.gz ZDOZNNQXVMGXOZ-NWDGAFQWSA-N 1 0 302.509 2.325 10 0 DEAERO O=C(NCCC1SCCS1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000703339273 1086493641 /nfs/dbraw/zinc/49/36/41/1086493641.db2.gz BYRZNUUIMXWAMY-UTUOFQBUSA-N 1 0 300.493 2.220 10 0 DEAERO COc1cccc(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)c1 ZINC000703382515 1086497202 /nfs/dbraw/zinc/49/72/02/1086497202.db2.gz RRDJXNJIAPQEQQ-ZDUSSCGKSA-N 1 0 308.378 2.336 10 0 DEAERO CN(Cc1ccc(N)nn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000703981546 1086569145 /nfs/dbraw/zinc/56/91/45/1086569145.db2.gz QXFAJDGKEYVVRA-UHFFFAOYSA-N 1 0 311.433 2.155 10 0 DEAERO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000705405600 1086615609 /nfs/dbraw/zinc/61/56/09/1086615609.db2.gz MRKKICPSJLYLFC-RNCFNFMXSA-N 1 0 318.248 2.402 10 0 DEAERO CN(CCOCC[NH2+]C[C@H]1CCSC1)C(=O)OC(C)(C)C ZINC000705901953 1086627973 /nfs/dbraw/zinc/62/79/73/1086627973.db2.gz AIFHHNDOIOTMAP-CYBMUJFWSA-N 1 0 318.483 2.213 10 0 DEAERO CN(CCOCC[NH2+][C@@H]1CCCSC1)C(=O)OC(C)(C)C ZINC000705906985 1086627993 /nfs/dbraw/zinc/62/79/93/1086627993.db2.gz MBANSBBVCMDVGS-CYBMUJFWSA-N 1 0 318.483 2.355 10 0 DEAERO CC1(C)CO[C@H](C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000708331588 1086678046 /nfs/dbraw/zinc/67/80/46/1086678046.db2.gz QJCHSQCUPNWXTO-PKOBYXMFSA-N 1 0 318.461 2.028 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H]2CSCCS2)C1 ZINC000710874072 1086689203 /nfs/dbraw/zinc/68/92/03/1086689203.db2.gz IRDYUARHSJSBDZ-GFCCVEGCSA-N 1 0 318.508 2.292 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000710945986 1086691106 /nfs/dbraw/zinc/69/11/06/1086691106.db2.gz HFFOHACBJDQOHX-LBPRGKRZSA-N 1 0 314.426 2.175 10 0 DEAERO COC[C@@H](CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)OC ZINC000710604843 1086691289 /nfs/dbraw/zinc/69/12/89/1086691289.db2.gz WVZZXRZXFZZEQS-CQSZACIVSA-N 1 0 316.442 2.027 10 0 DEAERO C[C@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)COCc1ccccc1 ZINC000711335192 1087067024 /nfs/dbraw/zinc/06/70/24/1087067024.db2.gz OQPZVRSQVXUNJC-SUMDDJOVSA-N 1 0 316.445 2.488 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000711398701 1087084035 /nfs/dbraw/zinc/08/40/35/1087084035.db2.gz AFYWACAJQPOLMS-BETUJISGSA-N 1 0 307.394 2.180 10 0 DEAERO CCC(O)(CC)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711494475 1087136933 /nfs/dbraw/zinc/13/69/33/1087136933.db2.gz XIKFWYCCGCKLPD-BETUJISGSA-N 1 0 300.443 2.430 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cncnc3)CCC[C@H]12 ZINC000711639363 1087175820 /nfs/dbraw/zinc/17/58/20/1087175820.db2.gz KOGQPVRYQRJKSB-YOEHRIQHSA-N 1 0 318.421 2.498 10 0 DEAERO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)[C@H](c1ccccc1)N(C)C ZINC000606444845 1088605145 /nfs/dbraw/zinc/60/51/45/1088605145.db2.gz HTVPELCZIKEKEK-WMLDXEAASA-N 1 0 324.490 2.092 10 0 DEAERO COCC[C@](C)(O)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719225678 1088910196 /nfs/dbraw/zinc/91/01/96/1088910196.db2.gz XUNGKRIEBZUEST-NSHDSACASA-N 1 0 323.256 2.091 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CCN1C ZINC000719577834 1089311646 /nfs/dbraw/zinc/31/16/46/1089311646.db2.gz DGHOZQJWALICOU-RBSFLKMASA-N 1 0 311.470 2.458 10 0 DEAERO Cc1nc(CNCCC[NH+]2CCC2)sc1Br ZINC000719250309 1091979446 /nfs/dbraw/zinc/97/94/46/1091979446.db2.gz GHQCVHUVGSSNJI-UHFFFAOYSA-N 1 0 304.257 2.399 10 0 DEAERO CC[NH2+][C@@H](CSCCS(C)(=O)=O)c1ccc(C)cc1 ZINC000081769099 192322636 /nfs/dbraw/zinc/32/26/36/192322636.db2.gz WGJJWCGHUQCTAZ-AWEZNQCLSA-N 1 0 301.477 2.423 10 0 DEAERO C[NH2+][C@H](CSCCS(C)(=O)=O)c1cc2ccccc2o1 ZINC000081769094 192322757 /nfs/dbraw/zinc/32/27/57/192322757.db2.gz GFSRAAUXQOWFCL-GFCCVEGCSA-N 1 0 313.444 2.471 10 0 DEAERO CCCc1ccc([C@@H]([NH3+])CSCCS(C)(=O)=O)cc1 ZINC000081768931 192323433 /nfs/dbraw/zinc/32/34/33/192323433.db2.gz XHMCDSDGNPGZGF-AWEZNQCLSA-N 1 0 301.477 2.417 10 0 DEAERO C[NH2+][C@@H](CSc1n[nH]c(=O)n1C)c1c(C)cc(C)cc1C ZINC000081880369 192334022 /nfs/dbraw/zinc/33/40/22/192334022.db2.gz YSOIKLKTYKPWBY-LBPRGKRZSA-N 1 0 306.435 2.086 10 0 DEAERO COc1ccc2c(c1)CC[C@H](Sc1nnc(C)n1C)[C@H]2[NH3+] ZINC000081886136 192334070 /nfs/dbraw/zinc/33/40/70/192334070.db2.gz PCWTZLGWYXRNGI-KBPBESRZSA-N 1 0 304.419 2.239 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1Sc1cnn(C)c1)OCCO2 ZINC000081893362 192334772 /nfs/dbraw/zinc/33/47/72/192334772.db2.gz WWGCZYBSZCEYGW-ZIAGYGMSSA-N 1 0 311.451 2.176 10 0 DEAERO CC[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1nccs1 ZINC000162592281 197577072 /nfs/dbraw/zinc/57/70/72/197577072.db2.gz KMFRCMWSWJPURS-AVGNSLFASA-N 1 0 308.451 2.472 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000081921127 192338742 /nfs/dbraw/zinc/33/87/42/192338742.db2.gz NEVQKDNHJWMQBW-JKSUJKDBSA-N 1 0 305.374 2.485 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000081920246 192338967 /nfs/dbraw/zinc/33/89/67/192338967.db2.gz USNOKJSILKTHLW-UONOGXRCSA-N 1 0 317.838 2.271 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCCc2cscn2)CC1 ZINC000151391445 282115920 /nfs/dbraw/zinc/11/59/20/282115920.db2.gz XJYPIBCQHIIYDQ-UHFFFAOYSA-N 1 0 310.467 2.107 10 0 DEAERO COc1cccc(S(=O)(=O)C[C@@H]([NH3+])c2ccccc2C)c1 ZINC000081923463 192340261 /nfs/dbraw/zinc/34/02/61/192340261.db2.gz DAXWXVQWKLEDEE-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO c1csc(CC[NH+]2CCN(CCOC3CCOCC3)CC2)c1 ZINC000625101322 365644323 /nfs/dbraw/zinc/64/43/23/365644323.db2.gz GNXRWGIXMGETHU-UHFFFAOYSA-N 1 0 324.490 2.104 10 0 DEAERO [NH3+]CCn1cc(-c2cc(Cl)ccc2Br)nn1 ZINC000163706012 197646043 /nfs/dbraw/zinc/64/60/43/197646043.db2.gz YWQKUEDADJTWHR-UHFFFAOYSA-N 1 0 301.575 2.320 10 0 DEAERO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(N)c(Br)c1 ZINC000078892638 185123773 /nfs/dbraw/zinc/12/37/73/185123773.db2.gz LWTPODCBPRAYPT-VIFPVBQESA-N 1 0 314.227 2.101 10 0 DEAERO CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)CCO2 ZINC000152387422 282143599 /nfs/dbraw/zinc/14/35/99/282143599.db2.gz LUAJGWNRDNFAJY-SWLSCSKDSA-N 1 0 304.390 2.119 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)[C@H](C)CC)c1ccc2c(c1)OCO2 ZINC000081937919 192343410 /nfs/dbraw/zinc/34/34/10/192343410.db2.gz FALDYFCIXMEOIG-YPMHNXCESA-N 1 0 313.419 2.279 10 0 DEAERO Cc1ncc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)cn1 ZINC000328600940 282156292 /nfs/dbraw/zinc/15/62/92/282156292.db2.gz DPMPMMNEYAZAKJ-INIZCTEOSA-N 1 0 302.422 2.198 10 0 DEAERO COCCN(C(=O)CC[C@@H](CC[NH3+])C(C)C)[C@H]1CCSC1 ZINC000079276827 185163162 /nfs/dbraw/zinc/16/31/62/185163162.db2.gz OEUPKDMDIOZCBJ-GJZGRUSLSA-N 1 0 316.511 2.368 10 0 DEAERO Cn1cc([C@@H](C[NH3+])Sc2ccc(Br)cn2)cn1 ZINC000079423976 185170849 /nfs/dbraw/zinc/17/08/49/185170849.db2.gz JMRFRQQGWIXMET-SNVBAGLBSA-N 1 0 313.224 2.370 10 0 DEAERO CCC[NH2+][C@@](CSc1ccc(Cl)cn1)(C(N)=O)C1CC1 ZINC000079448476 185172324 /nfs/dbraw/zinc/17/23/24/185172324.db2.gz XHRLWBXXHARYDP-CQSZACIVSA-N 1 0 313.854 2.461 10 0 DEAERO CC(C)[NH2+]CCS(=O)(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000079358465 185166972 /nfs/dbraw/zinc/16/69/72/185166972.db2.gz NOTIIRHEHMDRJI-CQSZACIVSA-N 1 0 304.500 2.462 10 0 DEAERO CCc1noc(CC)c1CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000153039046 282160113 /nfs/dbraw/zinc/16/01/13/282160113.db2.gz WMHMQVWEUIKXJE-OLZOCXBDSA-N 1 0 307.438 2.283 10 0 DEAERO C[NH+]1CCN(c2ccc(Nc3ncnc4[nH]ccc43)cc2)CC1 ZINC000082359431 185177739 /nfs/dbraw/zinc/17/77/39/185177739.db2.gz HDDVDICYSWQRQV-UHFFFAOYSA-N 1 0 308.389 2.453 10 0 DEAERO [NH3+][C@H]1CC[C@@H](S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000082820015 185208495 /nfs/dbraw/zinc/20/84/95/185208495.db2.gz ODRLMJGWHVIEKH-GXSJLCMTSA-N 1 0 304.209 2.103 10 0 DEAERO [NH3+][C@@](CO)(CSc1ncccc1Br)C1CC1 ZINC000082905349 185209595 /nfs/dbraw/zinc/20/95/95/185209595.db2.gz ZZQFTVGEVPZVFH-NSHDSACASA-N 1 0 303.225 2.036 10 0 DEAERO CN(C[C@H]1CCCO1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000077003269 282172234 /nfs/dbraw/zinc/17/22/34/282172234.db2.gz PEXCDWOQZAPLKS-CVEARBPZSA-N 1 0 323.412 2.249 10 0 DEAERO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2CCc1ccc2c(c1)OCCO2 ZINC000328642815 231279425 /nfs/dbraw/zinc/27/94/25/231279425.db2.gz ADDUFOAUXFEHRU-ZIAGYGMSSA-N 1 0 302.374 2.051 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@H]1CCCCC(=O)N1 ZINC000328673449 231301994 /nfs/dbraw/zinc/30/19/94/231301994.db2.gz PCLVPEKRBKSMSB-KFWWJZLASA-N 1 0 307.438 2.361 10 0 DEAERO CCOC(=O)c1c(NC(=O)[C@H](CC)C[NH3+])sc2c1CCC2 ZINC000087532445 185227741 /nfs/dbraw/zinc/22/77/41/185227741.db2.gz HLDAXYNHSIPDLD-SECBINFHSA-N 1 0 310.419 2.337 10 0 DEAERO CCC[C@H](C[NH3+])c1nc(-c2ccc(S(C)(=O)=O)cc2)c[nH]1 ZINC000087537002 185227893 /nfs/dbraw/zinc/22/78/93/185227893.db2.gz CEKWUTHYKFYLIH-GFCCVEGCSA-N 1 0 307.419 2.323 10 0 DEAERO CC(C)C[NH2+]Cc1cnoc1-c1ccc(S(C)(=O)=O)cc1 ZINC000087565053 185228434 /nfs/dbraw/zinc/22/84/34/185228434.db2.gz YSVCRTZDKZMNGN-UHFFFAOYSA-N 1 0 308.403 2.491 10 0 DEAERO [NH3+][C@H]1C=C[C@H](C(=O)NCc2sccc2Br)C1 ZINC000087575771 185228853 /nfs/dbraw/zinc/22/88/53/185228853.db2.gz HKJIOVIYCKSUFY-YUMQZZPRSA-N 1 0 301.209 2.030 10 0 DEAERO COc1ccc(Br)c(C[C@@H]([NH3+])c2ccn(C)n2)c1 ZINC000087795866 185232218 /nfs/dbraw/zinc/23/22/18/185232218.db2.gz HFUDJKYDDFXLSW-GFCCVEGCSA-N 1 0 310.195 2.434 10 0 DEAERO C[C@H](CC[NH3+])C(=O)N(C)Cc1cc(Br)cs1 ZINC000087635640 185229694 /nfs/dbraw/zinc/22/96/94/185229694.db2.gz UOIMAJXVNMMUJW-MRVPVSSYSA-N 1 0 305.241 2.454 10 0 DEAERO Cc1nn(C)c(C[C@@H]([NH3+])[C@@H]2CCCS2)c1Br ZINC000087711936 185230912 /nfs/dbraw/zinc/23/09/12/185230912.db2.gz GBLDRZAHZRDIDA-SCZZXKLOSA-N 1 0 304.257 2.256 10 0 DEAERO COc1ccc(Br)c(C[C@@]2(C[NH3+])CCC[C@H]2O)c1 ZINC000087931907 185237631 /nfs/dbraw/zinc/23/76/31/185237631.db2.gz VPWVJEVLTHPDBK-ZIAGYGMSSA-N 1 0 314.223 2.490 10 0 DEAERO COc1ccc(C[C@]2(C[NH3+])CCC[C@@H]2O)cc1Br ZINC000087931852 185237721 /nfs/dbraw/zinc/23/77/21/185237721.db2.gz IUEKBQCTFDGMNW-KBPBESRZSA-N 1 0 314.223 2.490 10 0 DEAERO CC[C@@H]([NH3+])CS(=O)(=O)Cc1cccc(Br)c1 ZINC000088075040 185238936 /nfs/dbraw/zinc/23/89/36/185238936.db2.gz PKKGKTUSNKDIJZ-LLVKDONJSA-N 1 0 306.225 2.101 10 0 DEAERO CCC[NH2+]Cc1nnnn1-c1ccc(Br)c(F)c1 ZINC000088085339 185239255 /nfs/dbraw/zinc/23/92/55/185239255.db2.gz QDSSIVNEWHDSME-UHFFFAOYSA-N 1 0 314.162 2.064 10 0 DEAERO Cc1c(N)cnc(N2CCC[C@H]([NH+](C)C)C2)c1Br ZINC000165582096 197678207 /nfs/dbraw/zinc/67/82/07/197678207.db2.gz MUOISDXPFKRJOT-JTQLQIEISA-N 1 0 313.243 2.265 10 0 DEAERO COCCC[N@H+](CCOC)Cc1ccc2nc(N)sc2c1 ZINC000087848092 185233233 /nfs/dbraw/zinc/23/32/33/185233233.db2.gz SPCMQUBPHOKXBA-UHFFFAOYSA-N 1 0 309.435 2.363 10 0 DEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1ccc2nc(N)sc2c1 ZINC000087847492 185233261 /nfs/dbraw/zinc/23/32/61/185233261.db2.gz PZNFJNCJTMKCHW-SNVBAGLBSA-N 1 0 304.419 2.093 10 0 DEAERO Cc1occc1CN(C)c1nc(NN)[nH+]cc1Br ZINC000087864262 185233746 /nfs/dbraw/zinc/23/37/46/185233746.db2.gz PJIJZVKXSJILAC-UHFFFAOYSA-N 1 0 312.171 2.063 10 0 DEAERO CCC1CCN(c2nc(NN)[nH+]cc2Br)CC1 ZINC000087864221 185233808 /nfs/dbraw/zinc/23/38/08/185233808.db2.gz MEQWVNLPCUPTKZ-UHFFFAOYSA-N 1 0 300.204 2.151 10 0 DEAERO CCCN(CC1CC1)c1nc(NN)[nH+]cc1Br ZINC000087864575 185233856 /nfs/dbraw/zinc/23/38/56/185233856.db2.gz YFOGOYLMSMNFDL-UHFFFAOYSA-N 1 0 300.204 2.151 10 0 DEAERO [NH3+]C[C@H]1CC(=O)N(c2cc(Cl)ccc2Br)C1 ZINC000088123687 185240083 /nfs/dbraw/zinc/24/00/83/185240083.db2.gz IIJUFNIFIQLMLK-SSDOTTSWSA-N 1 0 303.587 2.414 10 0 DEAERO [NH3+]C[C@H]1CC(=O)N(c2ccc(Cl)cc2Br)C1 ZINC000088123685 185240140 /nfs/dbraw/zinc/24/01/40/185240140.db2.gz HVVOCRVAAKEZFI-SSDOTTSWSA-N 1 0 303.587 2.414 10 0 DEAERO O[C@@H](CNc1c2nsnc2ccc1Cl)C[NH+]1CCCC1 ZINC000088120269 185240155 /nfs/dbraw/zinc/24/01/55/185240155.db2.gz VCWOJXNJVCBGNY-VIFPVBQESA-N 1 0 312.826 2.213 10 0 DEAERO NC(=S)CC1(C[NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000088256942 185244074 /nfs/dbraw/zinc/24/40/74/185244074.db2.gz YQLUAVUTLSYIJJ-UHFFFAOYSA-N 1 0 307.438 2.404 10 0 DEAERO C[N@H+](CCC(F)(F)F)C[C@H](O)c1ccc(C(N)=S)cc1 ZINC000088420464 185249419 /nfs/dbraw/zinc/24/94/19/185249419.db2.gz BDGVCPDYKLPJKR-NSHDSACASA-N 1 0 306.353 2.238 10 0 DEAERO COC(=O)[C@@](C)(C[C@@H](C)[N@H+](C)CCC(F)(F)F)NC1CC1 ZINC000088434855 185249942 /nfs/dbraw/zinc/24/99/42/185249942.db2.gz QYYLYAZCGLPKTD-ZWNOBZJWSA-N 1 0 310.360 2.333 10 0 DEAERO COC(=O)[C@](C)(C[C@H](C)[N@H+](C)CCC(F)(F)F)NC1CC1 ZINC000088434852 185249985 /nfs/dbraw/zinc/24/99/85/185249985.db2.gz QYYLYAZCGLPKTD-GWCFXTLKSA-N 1 0 310.360 2.333 10 0 DEAERO CN[C@@](C)(C[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000088435530 185250484 /nfs/dbraw/zinc/25/04/84/185250484.db2.gz YUYXQXOFVMFROW-MFKMUULPSA-N 1 0 310.360 2.190 10 0 DEAERO OC[C@@](CN1CCC[C@@H](C(F)(F)F)C1)([NH2+]C1CC1)C1CC1 ZINC000088439657 185250634 /nfs/dbraw/zinc/25/06/34/185250634.db2.gz YONHSVAYDVCSNQ-TZMCWYRMSA-N 1 0 306.372 2.154 10 0 DEAERO CC[NH2+][C@@H](Cc1nc(C)cs1)Cc1ncnn1CC(C)C ZINC000088611890 185260038 /nfs/dbraw/zinc/26/00/38/185260038.db2.gz DQLIXXASWOAFBS-CYBMUJFWSA-N 1 0 307.467 2.462 10 0 DEAERO Nc1c2cc(C(F)(F)F)ccc2sc1C(=O)NCC[NH3+] ZINC000088641229 185260885 /nfs/dbraw/zinc/26/08/85/185260885.db2.gz DHWYNMFFAMFFCP-UHFFFAOYSA-N 1 0 303.309 2.191 10 0 DEAERO CCC(C)(C)[C@H]1CC[C@@H]([NH3+])[C@H](S(=O)(=O)CCCOC)C1 ZINC000081986387 192349245 /nfs/dbraw/zinc/34/92/45/192349245.db2.gz LRHZHTUOBBUMSL-BFHYXJOUSA-N 1 0 305.484 2.370 10 0 DEAERO c1cnn(C[C@@H]([NH2+]CCOC2CCOCC2)c2ccccc2)c1 ZINC000625254091 365698519 /nfs/dbraw/zinc/69/85/19/365698519.db2.gz HYTKHJOWOUTKNQ-GOSISDBHSA-N 1 0 315.417 2.410 10 0 DEAERO CCC[C@H](C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000179148296 282216142 /nfs/dbraw/zinc/21/61/42/282216142.db2.gz WSPRYLBDFAPRLW-CHWSQXEVSA-N 1 0 315.458 2.136 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1S(=O)(=O)C1CCCC1 ZINC000081988866 192350583 /nfs/dbraw/zinc/35/05/83/192350583.db2.gz NSTAIGHTQVRQGE-HOTGVXAUSA-N 1 0 309.431 2.456 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccccc1-n1cccn1 ZINC000090016376 185278393 /nfs/dbraw/zinc/27/83/93/185278393.db2.gz MHVQAAQSVPAWPQ-ZIAGYGMSSA-N 1 0 319.430 2.100 10 0 DEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@@H](O)COC1CCC(C)CC1 ZINC000090272272 185288545 /nfs/dbraw/zinc/28/85/45/185288545.db2.gz RAIPXXOXTIPZHW-MYBQVCMBSA-N 1 0 301.471 2.329 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1c1nc(-c2ccc(Br)s2)no1 ZINC000090364814 185292873 /nfs/dbraw/zinc/29/28/73/185292873.db2.gz GASXRQZMWHFCFF-NTSWFWBYSA-N 1 0 316.180 2.002 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000090423226 185295372 /nfs/dbraw/zinc/29/53/72/185295372.db2.gz DVNRYDISQNTSBQ-GHMZBOCLSA-N 1 0 324.178 2.201 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000090435295 185296449 /nfs/dbraw/zinc/29/64/49/185296449.db2.gz GGFPMKRSCFOZFI-CHWSQXEVSA-N 1 0 317.216 2.186 10 0 DEAERO C[C@]1(C(=O)Nc2nc3ccc(Cl)cc3s2)COC[C@H]1[NH3+] ZINC000090580320 185304980 /nfs/dbraw/zinc/30/49/80/185304980.db2.gz LFBCPXSGCSWRBI-MFKMUULPSA-N 1 0 311.794 2.252 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(Cl)c3ncccc23)COC[C@@H]1[NH3+] ZINC000090588953 185305559 /nfs/dbraw/zinc/30/55/59/185305559.db2.gz FMFDPSNHDSRVHH-SWLSCSKDSA-N 1 0 305.765 2.191 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090593642 185305816 /nfs/dbraw/zinc/30/58/16/185305816.db2.gz MRBRZIVGYPMDGB-TZMCWYRMSA-N 1 0 317.216 2.316 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(Cl)ccc1OC ZINC000090538715 185301496 /nfs/dbraw/zinc/30/14/96/185301496.db2.gz CONHLKPMTCAGLX-YPMHNXCESA-N 1 0 312.797 2.302 10 0 DEAERO CCCOc1cccc(CC[NH2+]C2CCN(C(N)=O)CC2)c1 ZINC000090577731 185304694 /nfs/dbraw/zinc/30/46/94/185304694.db2.gz OJIIISMRRNIKQW-UHFFFAOYSA-N 1 0 305.422 2.151 10 0 DEAERO CCC[C@@H]([NH2+]CC)[C@H](CC)S(=O)(=O)CC(=O)OC(C)(C)C ZINC000166883837 197700417 /nfs/dbraw/zinc/70/04/17/197700417.db2.gz WDJZLBFSCAKXTI-OLZOCXBDSA-N 1 0 321.483 2.300 10 0 DEAERO CC(C)S(=O)(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701909 185310525 /nfs/dbraw/zinc/31/05/25/185310525.db2.gz KOQPNJXAEWXBIB-CQSZACIVSA-N 1 0 320.524 2.018 10 0 DEAERO C[C@H](Oc1ccccc1)C(=O)N1CCCSC[C@H]1C[NH+](C)C ZINC000090699926 185310533 /nfs/dbraw/zinc/31/05/33/185310533.db2.gz LOAKKQBORCVDHK-LSDHHAIUSA-N 1 0 322.474 2.350 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)n1cnc(C(=O)OC)n1 ZINC000167353033 197706744 /nfs/dbraw/zinc/70/67/44/197706744.db2.gz HZZLFPMBXBLMQQ-RYUDHWBXSA-N 1 0 308.769 2.045 10 0 DEAERO Cc1ccc(CCC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000184358658 282252736 /nfs/dbraw/zinc/25/27/36/282252736.db2.gz YZMNLWQTFLJELV-KRWDZBQOSA-N 1 0 317.477 2.070 10 0 DEAERO COc1c(CN2CCCC[C@H]([NH+]3CCCC3)C2)c(C)nn1C ZINC000092785730 185340681 /nfs/dbraw/zinc/34/06/81/185340681.db2.gz ASPVPRROZZMGND-HNNXBMFYSA-N 1 0 306.454 2.187 10 0 DEAERO CN(C)C(=O)c1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)[nH]1 ZINC000092785586 185340797 /nfs/dbraw/zinc/34/07/97/185340797.db2.gz HDEULIDRNHTFGN-MRXNPFEDSA-N 1 0 318.465 2.167 10 0 DEAERO COc1cc([C@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)ccc1F ZINC000092825393 185344282 /nfs/dbraw/zinc/34/42/82/185344282.db2.gz WNPOSKMPVSDBJI-JQWIXIFHSA-N 1 0 301.383 2.062 10 0 DEAERO CC1(C)C(NS(=O)(=O)c2ccc(F)c(C[NH3+])c2F)C1(C)C ZINC000092833257 185344833 /nfs/dbraw/zinc/34/48/33/185344833.db2.gz NQMCSYDALKYUJV-UHFFFAOYSA-N 1 0 318.389 2.136 10 0 DEAERO CC1(C)C(CNS(=O)(=O)c2ccsc2C[NH3+])C1(C)C ZINC000092833173 185344956 /nfs/dbraw/zinc/34/49/56/185344956.db2.gz RNVQCFYDKIUORG-UHFFFAOYSA-N 1 0 302.465 2.167 10 0 DEAERO [NH3+][C@@H]1CCO[C@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000092888637 185347927 /nfs/dbraw/zinc/34/79/27/185347927.db2.gz PQMZITTVMHHPBR-KOLCDFICSA-N 1 0 300.152 2.009 10 0 DEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc(Br)ccc1F ZINC000092956116 185350309 /nfs/dbraw/zinc/35/03/09/185350309.db2.gz LZPQFLVOBCXGRY-KWQFWETISA-N 1 0 315.186 2.202 10 0 DEAERO C[C@@]1(C(=O)Cc2ccc(F)cc2Br)COC[C@@H]1[NH3+] ZINC000168446624 197723263 /nfs/dbraw/zinc/72/32/63/197723263.db2.gz NHDLSSJQKDLVNS-WCQYABFASA-N 1 0 316.170 2.064 10 0 DEAERO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@@H]1CCCO1 ZINC000035735572 539333744 /nfs/dbraw/zinc/33/37/44/539333744.db2.gz IWUBRRBQJFYGRU-RNCFNFMXSA-N 1 0 307.781 2.234 10 0 DEAERO COC(=O)c1cc2cc(C[N@H+](C)CC3(CO)CC3)ccc2o1 ZINC000186788927 282283992 /nfs/dbraw/zinc/28/39/92/282283992.db2.gz SEDPETOTFXUCRB-UHFFFAOYSA-N 1 0 303.358 2.424 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000181579014 199321535 /nfs/dbraw/zinc/32/15/35/199321535.db2.gz URDZZOPHXDJONJ-MRVPVSSYSA-N 1 0 301.316 2.332 10 0 DEAERO C[C@@H](CNC(=O)c1cn2ccnc2s1)C[NH+]1CCCCC1 ZINC000188342014 282297806 /nfs/dbraw/zinc/29/78/06/282297806.db2.gz FLPNLOGKWGZHOB-LBPRGKRZSA-N 1 0 306.435 2.248 10 0 DEAERO C[C@H](CNC(=O)c1cn2ccnc2s1)C[NH+]1CCCCC1 ZINC000188342041 282298061 /nfs/dbraw/zinc/29/80/61/282298061.db2.gz FLPNLOGKWGZHOB-GFCCVEGCSA-N 1 0 306.435 2.248 10 0 DEAERO COc1ccc(C[C@H](C)C[N@@H+]2CCCNC(=O)[C@@H]2C)cc1F ZINC000189082807 282307395 /nfs/dbraw/zinc/30/73/95/282307395.db2.gz HKRBMZARSZXTMN-STQMWFEESA-N 1 0 308.397 2.223 10 0 DEAERO C[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCOC1 ZINC000443622939 529944079 /nfs/dbraw/zinc/94/40/79/529944079.db2.gz XXLMOLLPAGIWLZ-STQMWFEESA-N 1 0 303.324 2.330 10 0 DEAERO COC[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000190435103 282320513 /nfs/dbraw/zinc/32/05/13/282320513.db2.gz QNVZBYMRZGXJKE-KOLCDFICSA-N 1 0 318.211 2.116 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccc(F)c(F)c1 ZINC000190380163 282319431 /nfs/dbraw/zinc/31/94/31/282319431.db2.gz RLFHWRQSQOIJME-GXTWGEPZSA-N 1 0 323.387 2.385 10 0 DEAERO CS[C@@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@H]1[NH+]1CCCC1 ZINC000614279332 362338230 /nfs/dbraw/zinc/33/82/30/362338230.db2.gz VBQZMBPXCWWLCG-HUUCEWRRSA-N 1 0 307.463 2.283 10 0 DEAERO COC[C@H](C)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000103427854 185450748 /nfs/dbraw/zinc/45/07/48/185450748.db2.gz WVOMZDQCFJEVKW-GOEBONIOSA-N 1 0 320.433 2.231 10 0 DEAERO CCN(CC)C(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000193763417 282355851 /nfs/dbraw/zinc/35/58/51/282355851.db2.gz GWJDMNVRQZIJQF-UHFFFAOYSA-N 1 0 305.422 2.335 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000089745283 539413183 /nfs/dbraw/zinc/41/31/83/539413183.db2.gz RHUCHYKUIZOAAU-IUODEOHRSA-N 1 0 308.809 2.240 10 0 DEAERO CC1(OCC(=O)N2CCC[C@H]2c2ccccc2Cl)C[NH2+]C1 ZINC000098060913 539436058 /nfs/dbraw/zinc/43/60/58/539436058.db2.gz NNAGKZNYFZMMPC-AWEZNQCLSA-N 1 0 308.809 2.382 10 0 DEAERO CCc1noc(C2CCC([NH2+]C[C@H](O)c3ccncc3)CC2)n1 ZINC000097049785 539434523 /nfs/dbraw/zinc/43/45/23/539434523.db2.gz CIDVNEAXIMUNNZ-NRXISQOPSA-N 1 0 316.405 2.376 10 0 DEAERO CN(Cc1ccccc1OC(F)(F)F)C[C@H]1C[NH2+]CCO1 ZINC000125419431 539472641 /nfs/dbraw/zinc/47/26/41/539472641.db2.gz QVDKHGRKJFHOQY-GFCCVEGCSA-N 1 0 304.312 2.005 10 0 DEAERO C[C@@H](O)c1ccccc1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246366 185563630 /nfs/dbraw/zinc/56/36/30/185563630.db2.gz GXKCWMDPBJAANL-RNCFNFMXSA-N 1 0 302.296 2.220 10 0 DEAERO O=C(Cc1csc(-c2ccccc2)n1)N1CC[N@@H+]2CC[C@H]1C2 ZINC000615559096 362640902 /nfs/dbraw/zinc/64/09/02/362640902.db2.gz CXUDGPBDUUPRFS-HNNXBMFYSA-N 1 0 313.426 2.269 10 0 DEAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)s1 ZINC000111245786 185563476 /nfs/dbraw/zinc/56/34/76/185563476.db2.gz UPBCZSZTBPBXKN-PELKAZGASA-N 1 0 321.368 2.479 10 0 DEAERO CCC(CC)N(CC[NH3+])S(=O)(=O)c1ccc(F)cc1C ZINC000111373550 185589671 /nfs/dbraw/zinc/58/96/71/185589671.db2.gz OLXUZHKNWFIOFX-UHFFFAOYSA-N 1 0 302.415 2.272 10 0 DEAERO [NH3+]CCc1c(N(CC(F)(F)F)C2CC2)nc2sccn12 ZINC000111483005 185608648 /nfs/dbraw/zinc/60/86/48/185608648.db2.gz ODGLQXXQCODBPN-UHFFFAOYSA-N 1 0 304.341 2.428 10 0 DEAERO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000246429215 282443370 /nfs/dbraw/zinc/44/33/70/282443370.db2.gz STXKJBDXMWYIQW-SNPRPXQTSA-N 1 0 315.417 2.235 10 0 DEAERO Cc1nscc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000181823010 199357657 /nfs/dbraw/zinc/35/76/57/199357657.db2.gz AXIPWFIAPBEZMF-CQSZACIVSA-N 1 0 303.431 2.354 10 0 DEAERO C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279670529 215047218 /nfs/dbraw/zinc/04/72/18/215047218.db2.gz FOXIIFMFQKJDOT-GXTWGEPZSA-N 1 0 308.426 2.155 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2CO)C1 ZINC000616626090 362899606 /nfs/dbraw/zinc/89/96/06/362899606.db2.gz QQJRRBLCCXOWRL-CQSZACIVSA-N 1 0 320.433 2.493 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2ccnnc2)C1 ZINC000616620703 362899710 /nfs/dbraw/zinc/89/97/10/362899710.db2.gz SARJYRYMYIZWQS-CQSZACIVSA-N 1 0 306.410 2.181 10 0 DEAERO [NH3+]Cc1c(F)cccc1S(=O)(=O)NC1CCCCCC1 ZINC000070394297 190885149 /nfs/dbraw/zinc/88/51/49/190885149.db2.gz WCUSXYJLRAVSGY-UHFFFAOYSA-N 1 0 300.399 2.286 10 0 DEAERO COc1ccc(-c2cc3c(N4CCC([NH3+])CC4)nccn3n2)cc1 ZINC000070459247 190897665 /nfs/dbraw/zinc/89/76/65/190897665.db2.gz AQSVFXHJTXKHJJ-UHFFFAOYSA-N 1 0 323.400 2.332 10 0 DEAERO COc1ccnc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000182089848 539655131 /nfs/dbraw/zinc/65/51/31/539655131.db2.gz AWCMNWVKYKQLDO-AWEZNQCLSA-N 1 0 313.401 2.341 10 0 DEAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)[C@H]1CCCO1 ZINC000183179788 539660353 /nfs/dbraw/zinc/66/03/53/539660353.db2.gz MEFJBAURILISTG-ZWNOBZJWSA-N 1 0 314.332 2.384 10 0 DEAERO C[C@H]([NH3+])[C@@H](n1cc(I)cn1)C(C)(C)C ZINC000070677204 190910277 /nfs/dbraw/zinc/91/02/77/190910277.db2.gz GHMBSKLNFIDNON-IONNQARKSA-N 1 0 307.179 2.422 10 0 DEAERO C[NH2+]Cc1ccccc1-n1cc(I)cn1 ZINC000070678129 190911293 /nfs/dbraw/zinc/91/12/93/190911293.db2.gz LAKYTFXZFKIBIN-UHFFFAOYSA-N 1 0 313.142 2.196 10 0 DEAERO CCOc1cc2c(cc1/C=C\C(=O)NCC[C@H](C)[NH3+])O[C@@H](C)C2 ZINC000255226148 282624296 /nfs/dbraw/zinc/62/42/96/282624296.db2.gz BNQKKKVVXIDNML-IBPBTGAJSA-N 1 0 318.417 2.275 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCCn3ccnc32)C1 ZINC000080553508 192167627 /nfs/dbraw/zinc/16/76/27/192167627.db2.gz JBWRTLMCYFLZTJ-BZUAXINKSA-N 1 0 318.465 2.245 10 0 DEAERO FC(F)(F)COc1ccc(CC[NH2+]Cc2cncnc2)cn1 ZINC000187570336 539679573 /nfs/dbraw/zinc/67/95/73/539679573.db2.gz ZNEQWBCZEBCEIZ-UHFFFAOYSA-N 1 0 312.295 2.145 10 0 DEAERO COc1cccc(C[NH2+]CCNC(=O)c2ccccc2)c1F ZINC000192674710 539708339 /nfs/dbraw/zinc/70/83/39/539708339.db2.gz WBPMWFQRZMFELK-UHFFFAOYSA-N 1 0 302.349 2.354 10 0 DEAERO CC[NH2+][C@H](COC)Cc1ccc(I)cc1 ZINC000083850787 192386212 /nfs/dbraw/zinc/38/62/12/192386212.db2.gz FHOVAGGOOYGSSM-LBPRGKRZSA-N 1 0 319.186 2.458 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000084271987 192418480 /nfs/dbraw/zinc/41/84/80/192418480.db2.gz FHPJXZGORDWXCM-CABZTGNLSA-N 1 0 318.236 2.350 10 0 DEAERO CN(C)c1cccc2c1CN(CCc1nccs1)[C@@H]2C[NH3+] ZINC000071683383 191007189 /nfs/dbraw/zinc/00/71/89/191007189.db2.gz JBXLXPDNQDAVPQ-OAHLLOKOSA-N 1 0 302.447 2.267 10 0 DEAERO C[C@@H](O)CN1Cc2ccc(OCc3ccccc3)cc2[C@@H]1C[NH3+] ZINC000071684833 191008054 /nfs/dbraw/zinc/00/80/54/191008054.db2.gz NNAJFTIZVZKGCL-KUHUBIRLSA-N 1 0 312.413 2.462 10 0 DEAERO Cn1cc(CN2Cc3ccc(C(F)(F)F)cc3[C@@H]2C[NH3+])cn1 ZINC000071684070 191008805 /nfs/dbraw/zinc/00/88/05/191008805.db2.gz IDXBWVPWEPCTGW-AWEZNQCLSA-N 1 0 310.323 2.455 10 0 DEAERO Cc1ccc(O)c(NC(=O)Cc2csc(CCC[NH3+])n2)c1 ZINC000071694748 191008854 /nfs/dbraw/zinc/00/88/54/191008854.db2.gz PIPQTUFCAYIOLN-UHFFFAOYSA-N 1 0 305.403 2.230 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccccc2Cl)CC1 ZINC000255780249 282664071 /nfs/dbraw/zinc/66/40/71/282664071.db2.gz ZSFCVKWVNNYVJL-LZNQSLFOSA-N 1 0 322.836 2.268 10 0 DEAERO CC(C)C[C@H](C[NH3+])c1nc2c(cccc2S(C)(=O)=O)n1C ZINC000138236993 186015115 /nfs/dbraw/zinc/01/51/15/186015115.db2.gz JRBABMHWTADTRQ-LLVKDONJSA-N 1 0 309.435 2.065 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(CC)C(C)C)c1 ZINC000138442948 186016945 /nfs/dbraw/zinc/01/69/45/186016945.db2.gz NETQGWACFOTYNO-UHFFFAOYSA-N 1 0 320.405 2.493 10 0 DEAERO CCN(CC(C)C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138460568 186016959 /nfs/dbraw/zinc/01/69/59/186016959.db2.gz IGRDMNSFWWQKCR-UHFFFAOYSA-N 1 0 320.405 2.351 10 0 DEAERO CCCCCN(C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138466655 186016984 /nfs/dbraw/zinc/01/69/84/186016984.db2.gz AIDFEHJNBPTBEU-UHFFFAOYSA-N 1 0 306.378 2.234 10 0 DEAERO CC1(CNS(=O)(=O)c2cc(C[NH3+])cc(F)c2F)CCCC1 ZINC000139081422 186020206 /nfs/dbraw/zinc/02/02/06/186020206.db2.gz MMQNXHVZCNIXPQ-UHFFFAOYSA-N 1 0 318.389 2.282 10 0 DEAERO [NH3+][C@@H](Cc1cccc(C(F)(F)F)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000139298375 186021713 /nfs/dbraw/zinc/02/17/13/186021713.db2.gz AJMAVABUJIWFKC-YPMHNXCESA-N 1 0 321.364 2.400 10 0 DEAERO C[C@H]([NH2+]CCCc1ncc[nH]1)c1ccc(S(C)(=O)=O)cc1 ZINC000139366714 186021772 /nfs/dbraw/zinc/02/17/72/186021772.db2.gz YTUPYYNTUKMXLP-LBPRGKRZSA-N 1 0 307.419 2.097 10 0 DEAERO [NH3+][C@H]1C=C[C@@H](c2nc(-c3ncccc3Br)no2)C1 ZINC000139861862 186024856 /nfs/dbraw/zinc/02/48/56/186024856.db2.gz RVLVNFWHCKNLHN-SFYZADRCSA-N 1 0 307.151 2.265 10 0 DEAERO Brc1cccnc1-c1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000139889770 186024932 /nfs/dbraw/zinc/02/49/32/186024932.db2.gz OEYIVQBXIMDLAX-MRVPVSSYSA-N 1 0 309.167 2.189 10 0 DEAERO C[NH2+][C@@H](Cc1ccnc(N)c1)c1ncccc1Br ZINC000140386487 186026687 /nfs/dbraw/zinc/02/66/87/186026687.db2.gz RGZQKRYYKZNAIN-NSHDSACASA-N 1 0 307.195 2.325 10 0 DEAERO CC(C)C[C@H](C[NH3+])C(=O)Nc1ccncc1Br ZINC000147545417 186040391 /nfs/dbraw/zinc/04/03/91/186040391.db2.gz BQBZWZPWNAKOHB-SECBINFHSA-N 1 0 300.200 2.404 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])c2cncs2)c1Br ZINC000147550204 186040887 /nfs/dbraw/zinc/04/08/87/186040887.db2.gz FPVWXVWYGIFCAZ-ZETCQYMHSA-N 1 0 315.240 2.444 10 0 DEAERO CC(C)(C(N)=S)[NH+]1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000147661699 186040928 /nfs/dbraw/zinc/04/09/28/186040928.db2.gz OCTPLRYYFPKPSZ-UHFFFAOYSA-N 1 0 313.417 2.147 10 0 DEAERO C[C@]1(c2noc([C@@]3(C(F)(F)F)CC[NH2+]C3)n2)CCCCO1 ZINC000148023758 186042257 /nfs/dbraw/zinc/04/22/57/186042257.db2.gz KASBMLHMSNGMMD-VXGBXAGGSA-N 1 0 305.300 2.279 10 0 DEAERO C[C@H]1OCC[C@]12C[NH+]=C(N)N2c1cccc(Br)c1 ZINC000148450372 186044290 /nfs/dbraw/zinc/04/42/90/186044290.db2.gz BCUOVOIOVQUHGG-RNCFNFMXSA-N 1 0 310.195 2.131 10 0 DEAERO CC[NH2+][C@H]1COC[C@H]1CNCc1sccc1Br ZINC000148336774 186044418 /nfs/dbraw/zinc/04/44/18/186044418.db2.gz YHGXEZNZPBUEIB-KOLCDFICSA-N 1 0 319.268 2.225 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000142922069 186033696 /nfs/dbraw/zinc/03/36/96/186033696.db2.gz PHGJVFDPLVWICR-VHSXEESVSA-N 1 0 307.868 2.357 10 0 DEAERO CC(C)[N@@H+]1CC[C@@H](CN2C(=O)[C@H](C)N[C@H]2c2cccs2)C1 ZINC000143221978 186033761 /nfs/dbraw/zinc/03/37/61/186033761.db2.gz UDEIFYHRWQLNFI-GZBFAFLISA-N 1 0 307.463 2.297 10 0 DEAERO C[N@H+](CC(=O)Nc1ccc(N)cc1Br)C1CCC1 ZINC000143488421 186034329 /nfs/dbraw/zinc/03/43/29/186034329.db2.gz CQNNRMYCUZTCLR-UHFFFAOYSA-N 1 0 312.211 2.454 10 0 DEAERO CC[C@@H]1N[C@H](c2ccsc2)N(C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000144252840 186034703 /nfs/dbraw/zinc/03/47/03/186034703.db2.gz QRWMOSUDKLTOHD-SNPRPXQTSA-N 1 0 307.463 2.299 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(C)C2CCC2)c(C)s1 ZINC000144635653 186036057 /nfs/dbraw/zinc/03/60/57/186036057.db2.gz BSLUHACAEIZUBE-UHFFFAOYSA-N 1 0 302.465 2.339 10 0 DEAERO C[C@H](O)C(C)(C)[NH2+]CC(=O)Nc1ccccc1Br ZINC000145021576 186036553 /nfs/dbraw/zinc/03/65/53/186036553.db2.gz FFFCUNGIDBKSFG-VIFPVBQESA-N 1 0 315.211 2.137 10 0 DEAERO Cc1ccc(C)c(OC[C@H](O)CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000145737821 186037909 /nfs/dbraw/zinc/03/79/09/186037909.db2.gz KKVJSAGKSMLZOG-GOSISDBHSA-N 1 0 318.461 2.213 10 0 DEAERO CC(C)(C)c1nc(-n2cc(C(F)(F)F)cn2)cc(NN)[nH+]1 ZINC000147275136 186039098 /nfs/dbraw/zinc/03/90/98/186039098.db2.gz KFXVFNYTQXXROA-UHFFFAOYSA-N 1 0 300.288 2.264 10 0 DEAERO O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000149113116 186047761 /nfs/dbraw/zinc/04/77/61/186047761.db2.gz XFAXGUOSVYLOLI-UHFFFAOYSA-N 1 0 310.401 2.387 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)C[C@@H](C)c2ccccc2)C1 ZINC000149257430 186048272 /nfs/dbraw/zinc/04/82/72/186048272.db2.gz ONQJOONLYIYLHG-FMKPAKJESA-N 1 0 310.463 2.179 10 0 DEAERO [NH3+][C@H](Cc1cn2ccsc2n1)[C@@H]1COc2ccccc2O1 ZINC000149186173 186048742 /nfs/dbraw/zinc/04/87/42/186048742.db2.gz ZNYSWBQISIMJOM-RISCZKNCSA-N 1 0 301.371 2.106 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000149362369 186049486 /nfs/dbraw/zinc/04/94/86/186049486.db2.gz XYLMMOUJIPBOTN-ZDUSSCGKSA-N 1 0 309.841 2.364 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000149423380 186049575 /nfs/dbraw/zinc/04/95/75/186049575.db2.gz NRNDAHZBACDBJU-ZDUSSCGKSA-N 1 0 309.841 2.364 10 0 DEAERO C[C@H](CS(=O)(=O)N1C[C@@H](C[NH3+])CC[C@@H]1C)c1ccccc1 ZINC000149509308 186051164 /nfs/dbraw/zinc/05/11/64/186051164.db2.gz GIJPGGYUMDXTPU-QLFBSQMISA-N 1 0 310.463 2.179 10 0 DEAERO CCC[C@@](O)(C[NH3+])Cc1c(Br)c(CC)nn1CC ZINC000150030116 186053965 /nfs/dbraw/zinc/05/39/65/186053965.db2.gz CJTIZOULALSXFI-ZDUSSCGKSA-N 1 0 318.259 2.260 10 0 DEAERO COc1ccc(Br)c(C[C@](O)(C[NH3+])C(C)C)c1 ZINC000150055379 186054156 /nfs/dbraw/zinc/05/41/56/186054156.db2.gz GYPJSAIUTUMMPK-ZDUSSCGKSA-N 1 0 302.212 2.346 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000252441994 539784229 /nfs/dbraw/zinc/78/42/29/539784229.db2.gz FYUFMLWIAFPIIA-DJIMGWMZSA-N 1 0 301.434 2.431 10 0 DEAERO CCC[NH2+][C@H](c1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000150179617 186055296 /nfs/dbraw/zinc/05/52/96/186055296.db2.gz UBHUJNFKCPZDSS-HZMBPMFUSA-N 1 0 303.374 2.440 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@](O)(C[NH3+])C(C)(C)C ZINC000150162750 186055370 /nfs/dbraw/zinc/05/53/70/186055370.db2.gz JJCQDIWHDHAZHJ-CYBMUJFWSA-N 1 0 318.259 2.252 10 0 DEAERO C[C@@H](Cc1ccccc1)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000182026182 199376435 /nfs/dbraw/zinc/37/64/35/199376435.db2.gz ILACRTWOVRDJGR-HNNXBMFYSA-N 1 0 301.434 2.355 10 0 DEAERO CCc1nn(C)c(Cl)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155710272 186105783 /nfs/dbraw/zinc/10/57/83/186105783.db2.gz HQKNLFGFEORYPK-JQWIXIFHSA-N 1 0 312.845 2.094 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCC[NH2+]C2)c2ccccc2O1 ZINC000333841075 282979944 /nfs/dbraw/zinc/97/99/44/282979944.db2.gz VBUWBJXLJDWUCQ-VNHYZAJKSA-N 1 0 303.406 2.340 10 0 DEAERO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000171144612 197889566 /nfs/dbraw/zinc/88/95/66/197889566.db2.gz YQWCOKOTGYKTIR-AWEZNQCLSA-N 1 0 304.390 2.018 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000164065463 186147609 /nfs/dbraw/zinc/14/76/09/186147609.db2.gz DONZHQLCVRLESV-SECBINFHSA-N 1 0 300.200 2.238 10 0 DEAERO CCC[C@@H](C(=O)NC[C@@](C)(O)c1ccccc1Cl)[NH+](C)C ZINC000155866007 186118696 /nfs/dbraw/zinc/11/86/96/186118696.db2.gz TVTDMZZPRSZTSC-GOEBONIOSA-N 1 0 312.841 2.394 10 0 DEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1ncc(Cl)cc1Br ZINC000159674150 186134614 /nfs/dbraw/zinc/13/46/14/186134614.db2.gz IXPRBCJHNDDELQ-AEJSXWLSSA-N 1 0 320.618 2.414 10 0 DEAERO Cn1ncc(Br)c1C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000164224289 186152883 /nfs/dbraw/zinc/15/28/83/186152883.db2.gz LSVZSHHMTVLHPA-SNVBAGLBSA-N 1 0 308.179 2.108 10 0 DEAERO CCCN(CC[NH+](C)C)C(=O)[C@@H](C(=O)OCC)C(C)(C)C ZINC000164322890 186156234 /nfs/dbraw/zinc/15/62/34/186156234.db2.gz YHQUGHGPINDSCC-ZDUSSCGKSA-N 1 0 300.443 2.012 10 0 DEAERO CC(C)C[C@@H](C[NH3+])c1nc2cc(S(C)(=O)=O)ccc2n1C ZINC000164375933 186158169 /nfs/dbraw/zinc/15/81/69/186158169.db2.gz GVVZBNRKBSPCRX-NSHDSACASA-N 1 0 309.435 2.065 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000164410383 186158696 /nfs/dbraw/zinc/15/86/96/186158696.db2.gz CJQKTBURCZXNBW-SECBINFHSA-N 1 0 310.419 2.281 10 0 DEAERO C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000175632654 186183006 /nfs/dbraw/zinc/18/30/06/186183006.db2.gz JDLITHSMSHBTJE-CJNGLKHVSA-N 1 0 323.412 2.124 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)C[C@H](O)COc2ccc(F)cc2)C1 ZINC000187999646 186241825 /nfs/dbraw/zinc/24/18/25/186241825.db2.gz CMODWWKKBWROGU-KMFMINBZSA-N 1 0 311.397 2.048 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)Cc2ccccc2)C1 ZINC000188004668 186241982 /nfs/dbraw/zinc/24/19/82/186241982.db2.gz IAJFCDKJJJTVAJ-CRAIPNDOSA-N 1 0 304.434 2.128 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)Cc2ccccc2)C1 ZINC000188004725 186242121 /nfs/dbraw/zinc/24/21/21/186242121.db2.gz IAJFCDKJJJTVAJ-QAPCUYQASA-N 1 0 304.434 2.128 10 0 DEAERO CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000181929773 186220266 /nfs/dbraw/zinc/22/02/66/186220266.db2.gz HBTXPEMZEJOLBE-ZIAGYGMSSA-N 1 0 305.422 2.016 10 0 DEAERO COC(=O)c1coc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000183866413 186225080 /nfs/dbraw/zinc/22/50/80/186225080.db2.gz WOIGNZCFXAPOSS-CQSZACIVSA-N 1 0 316.357 2.099 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000187986222 186240074 /nfs/dbraw/zinc/24/00/74/186240074.db2.gz RITRSWGOAJJBJM-SJCJKPOMSA-N 1 0 323.412 2.219 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3cc[nH]c3c2)C[C@@H]1C ZINC000194274130 186275820 /nfs/dbraw/zinc/27/58/20/186275820.db2.gz KAGFFDBWVZPKGJ-QWHCGFSZSA-N 1 0 316.405 2.087 10 0 DEAERO CCC1(CC)[C@@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)C[C@@H]1OC ZINC000333844705 282981759 /nfs/dbraw/zinc/98/17/59/282981759.db2.gz OYAMBEYMGAFLCR-KBPBESRZSA-N 1 0 309.454 2.118 10 0 DEAERO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172035333 198029244 /nfs/dbraw/zinc/02/92/44/198029244.db2.gz URRLDRFSXRODLP-TWSJYFLVSA-N 1 0 323.824 2.155 10 0 DEAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000626139570 366073058 /nfs/dbraw/zinc/07/30/58/366073058.db2.gz QMFGSTJURZMHAP-YXJHDRRASA-N 1 0 316.401 2.063 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2cscc2Br)CCC1=O ZINC000286263514 539827326 /nfs/dbraw/zinc/82/73/26/539827326.db2.gz BCFFTCYAJBACFK-VIFPVBQESA-N 1 0 303.225 2.221 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172804488 198151610 /nfs/dbraw/zinc/15/16/10/198151610.db2.gz MABXUBNNZJBTOU-LZLYRXPVSA-N 1 0 315.461 2.422 10 0 DEAERO CCC(C)(CC)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000172811096 198152025 /nfs/dbraw/zinc/15/20/25/198152025.db2.gz NJWBACRRZVDGFI-UHFFFAOYSA-N 1 0 318.465 2.289 10 0 DEAERO Cc1nc(C)c(Br)c(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000323190582 539905599 /nfs/dbraw/zinc/90/55/99/539905599.db2.gz MGYDWFGFGMXXTF-LLVKDONJSA-N 1 0 313.243 2.386 10 0 DEAERO Cc1ccc(O[C@H](C)CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000173221579 198197354 /nfs/dbraw/zinc/19/73/54/198197354.db2.gz ZVTCJZOXYAQPAT-HZPDHXFCSA-N 1 0 317.433 2.252 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2)[C@H](C)C1 ZINC000173256322 198202727 /nfs/dbraw/zinc/20/27/27/198202727.db2.gz RYOLLJHINLBBSO-DOMZBBRYSA-N 1 0 314.426 2.177 10 0 DEAERO C[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C[C@@H](C)O1 ZINC000333305184 539955089 /nfs/dbraw/zinc/95/50/89/539955089.db2.gz KWCWPTSPJMXPSL-GHMZBOCLSA-N 1 0 307.369 2.113 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1OC ZINC000173306887 198206189 /nfs/dbraw/zinc/20/61/89/198206189.db2.gz BBRKXMJMORBHHM-KGLIPLIRSA-N 1 0 308.422 2.075 10 0 DEAERO CCc1cnc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC000173513622 198222221 /nfs/dbraw/zinc/22/22/21/198222221.db2.gz LJSVGXBEBVPZPB-LBPRGKRZSA-N 1 0 308.451 2.085 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333513988 539961877 /nfs/dbraw/zinc/96/18/77/539961877.db2.gz FWCUELHHHGSRLU-OAHLLOKOSA-N 1 0 322.840 2.409 10 0 DEAERO Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cs1 ZINC000333649207 539966934 /nfs/dbraw/zinc/96/69/34/539966934.db2.gz JNAROWBNNDEUKG-ZKYQVNSYSA-N 1 0 308.451 2.296 10 0 DEAERO CO[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000173701370 198242440 /nfs/dbraw/zinc/24/24/40/198242440.db2.gz ZTTJCUSCFJKMOS-SJORKVTESA-N 1 0 315.417 2.030 10 0 DEAERO C[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)CN(C)C3)C1 ZINC000173837478 198258804 /nfs/dbraw/zinc/25/88/04/198258804.db2.gz URGXFCFIHCDKEY-OLZOCXBDSA-N 1 0 315.417 2.218 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)C2CCC2)C1 ZINC000316287355 282877255 /nfs/dbraw/zinc/87/72/55/282877255.db2.gz HXDMHFAQHIKGOF-HIFRSBDPSA-N 1 0 312.454 2.384 10 0 DEAERO Cc1ccccc1O[C@H](C)CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000173916896 198268466 /nfs/dbraw/zinc/26/84/66/198268466.db2.gz OGYCRSFAPCDYGU-CABCVRRESA-N 1 0 305.422 2.108 10 0 DEAERO Cc1ccc(C(C)(C)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000174346774 198321776 /nfs/dbraw/zinc/32/17/76/198321776.db2.gz JJSGOPJNDLECEY-HZPDHXFCSA-N 1 0 318.461 2.186 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1c(C)noc1C ZINC000174343710 198322481 /nfs/dbraw/zinc/32/24/81/198322481.db2.gz NIKPIGHBRRHFEM-ZIAGYGMSSA-N 1 0 306.410 2.060 10 0 DEAERO CC[C@@H]1CN(C(=O)Cc2ccccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000174604837 198357476 /nfs/dbraw/zinc/35/74/76/198357476.db2.gz VQSWNHUDCSJJRZ-UKRRQHHQSA-N 1 0 324.852 2.186 10 0 DEAERO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1(CCO)CCCCC1 ZINC000359906123 535230149 /nfs/dbraw/zinc/23/01/49/535230149.db2.gz FDMNTMHRWNGUGI-OAHLLOKOSA-N 1 0 313.486 2.491 10 0 DEAERO O=C(Nc1cncc(Br)c1)N[C@@H]1CCCC[NH2+]C1 ZINC000333155469 282922202 /nfs/dbraw/zinc/92/22/02/282922202.db2.gz MYDIAAXQSQWWMR-SNVBAGLBSA-N 1 0 313.199 2.108 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](COC)c1ccc(C)o1 ZINC000175274281 198455088 /nfs/dbraw/zinc/45/50/88/198455088.db2.gz LFIAABHLRRPFES-OCCSQVGLSA-N 1 0 311.426 2.305 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000333515399 282936183 /nfs/dbraw/zinc/93/61/83/282936183.db2.gz GBLKUHFNCPFBKB-CUBALJKWSA-N 1 0 305.397 2.369 10 0 DEAERO CCC1CCC(NC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000073205064 191290905 /nfs/dbraw/zinc/29/09/05/191290905.db2.gz VMUBIVPZRXOJKE-UHFFFAOYSA-N 1 0 311.470 2.365 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000236782269 202006754 /nfs/dbraw/zinc/00/67/54/202006754.db2.gz BBIUYQABKCXAKX-CWTRNNRKSA-N 1 0 302.827 2.284 10 0 DEAERO C[C@@H]1CCC[C@](CNC(=O)NCc2cscn2)([NH+](C)C)C1 ZINC000051751567 354388628 /nfs/dbraw/zinc/38/86/28/354388628.db2.gz LZPKOIXSLGPHQA-DOMZBBRYSA-N 1 0 310.467 2.453 10 0 DEAERO CCCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000052685450 354410943 /nfs/dbraw/zinc/41/09/43/354410943.db2.gz NDUMHLZDRSIYQN-OAHLLOKOSA-N 1 0 323.481 2.016 10 0 DEAERO Cc1ccc(Br)cc1C(=O)N(C)CC1C[NH+](C)C1 ZINC000618193346 363409372 /nfs/dbraw/zinc/40/93/72/363409372.db2.gz SNPISSAJOUIFHJ-UHFFFAOYSA-N 1 0 311.223 2.391 10 0 DEAERO CC(=O)c1ccc(OCCCC(=O)N(C)CC2C[NH+](C)C2)cc1 ZINC000618197468 363412230 /nfs/dbraw/zinc/41/22/30/363412230.db2.gz MJSNXMQCKITXMV-UHFFFAOYSA-N 1 0 318.417 2.068 10 0 DEAERO CCC(CC)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000073431378 191316741 /nfs/dbraw/zinc/31/67/41/191316741.db2.gz IYKAKJIELKESDB-UHFFFAOYSA-N 1 0 324.513 2.425 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000076150154 355129963 /nfs/dbraw/zinc/12/99/63/355129963.db2.gz RUUJALDWOTUIMR-CVEARBPZSA-N 1 0 323.481 2.016 10 0 DEAERO COc1ccc2c(c1)CN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC000362613893 283089168 /nfs/dbraw/zinc/08/91/68/283089168.db2.gz FHHLAMGSVONJOU-UHFFFAOYSA-N 1 0 302.418 2.312 10 0 DEAERO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000073696342 191343276 /nfs/dbraw/zinc/34/32/76/191343276.db2.gz RIWZZBIFYZZDCW-UHFFFAOYSA-N 1 0 318.380 2.390 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2cc(OC)ccc2n1 ZINC000073698961 191343674 /nfs/dbraw/zinc/34/36/74/191343674.db2.gz ZVKQRSLLQUHMML-AWEZNQCLSA-N 1 0 313.401 2.458 10 0 DEAERO CCc1cnc(CNC(=O)N2CCC[N@@H+](C3CC3)CC2)s1 ZINC000074843309 191372344 /nfs/dbraw/zinc/37/23/44/191372344.db2.gz WNLVZUKQFHFVGQ-UHFFFAOYSA-N 1 0 308.451 2.085 10 0 DEAERO Cc1c([C@@H](C)NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cnn1C ZINC000079505317 355313376 /nfs/dbraw/zinc/31/33/76/355313376.db2.gz MCOSSFXTUHNZTG-UKRRQHHQSA-N 1 0 319.453 2.059 10 0 DEAERO C[C@@H]1Oc2ccc([C@H](O)CC[NH+]3CCCCC3)cc2N(C)C1=O ZINC000075219638 191442589 /nfs/dbraw/zinc/44/25/89/191442589.db2.gz PWSZQCSHMFLANY-XJKSGUPXSA-N 1 0 318.417 2.340 10 0 DEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]2CCCO2)o1 ZINC000079620061 355322108 /nfs/dbraw/zinc/32/21/08/355322108.db2.gz OUMGWUZITRMJJB-GDBMZVCRSA-N 1 0 323.437 2.229 10 0 DEAERO CC[NH+]1CCN([C@@H](C)CNC(=O)Nc2ccc(C)s2)CC1 ZINC000075409770 191471919 /nfs/dbraw/zinc/47/19/19/191471919.db2.gz LYLXGIHOTBIKBA-LBPRGKRZSA-N 1 0 310.467 2.204 10 0 DEAERO Cc1nn(C[C@](C)(CO)[NH2+]C(C)C)c(C)c1Br ZINC000085262359 192486403 /nfs/dbraw/zinc/48/64/03/192486403.db2.gz OUZJOIWVVYCEBI-GFCCVEGCSA-N 1 0 304.232 2.011 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000182523996 283096694 /nfs/dbraw/zinc/09/66/94/283096694.db2.gz RFUIITOZQHAUMI-FVQBIDKESA-N 1 0 315.417 2.246 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(CCSc2ccccc2F)CC1 ZINC000075959263 191542566 /nfs/dbraw/zinc/54/25/66/191542566.db2.gz AOXAUADYZOGYGY-AWEZNQCLSA-N 1 0 312.454 2.306 10 0 DEAERO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000367413105 283113515 /nfs/dbraw/zinc/11/35/15/283113515.db2.gz PEEJIZBAPQFKHO-GXTWGEPZSA-N 1 0 314.495 2.276 10 0 DEAERO CC[N@@H+]1CCCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)CC1 ZINC000094125536 355693810 /nfs/dbraw/zinc/69/38/10/355693810.db2.gz ROOVXKRDNYQERD-UHFFFAOYSA-N 1 0 318.417 2.274 10 0 DEAERO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[C@H](CBr)C2)C1 ZINC000095087993 355696395 /nfs/dbraw/zinc/69/63/95/355696395.db2.gz TYDGVJSORRQXLJ-SGMGOOAPSA-N 1 0 317.271 2.383 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@H](O)C1 ZINC000114082922 355761205 /nfs/dbraw/zinc/76/12/05/355761205.db2.gz ZDIVZXZUIPLHNP-HUUCEWRRSA-N 1 0 306.406 2.147 10 0 DEAERO CCc1cc(C(=[NH2+])NO)cc(C)c1OC[C@@H]1COC(C)(C)O1 ZINC000117926501 355778322 /nfs/dbraw/zinc/77/83/22/355778322.db2.gz AFLAOKKKMCYTAB-CYBMUJFWSA-N 1 0 308.378 2.392 10 0 DEAERO CCc1ccc(CN2CCN(C(=O)C[N@H+](C)C(C)C)CC2)s1 ZINC000128675142 355830283 /nfs/dbraw/zinc/83/02/83/355830283.db2.gz PDMPJYBYKMGISU-UHFFFAOYSA-N 1 0 323.506 2.295 10 0 DEAERO CC(=O)N1C[C@H](CO)C2(C1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000169751551 355980125 /nfs/dbraw/zinc/98/01/25/355980125.db2.gz XERVCDIXDVZKKF-OAHLLOKOSA-N 1 0 322.474 2.109 10 0 DEAERO CC[C@@H]1COCCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179468473 356026694 /nfs/dbraw/zinc/02/66/94/356026694.db2.gz CQDUFDVWRIWYTH-IXDOHACOSA-N 1 0 317.433 2.252 10 0 DEAERO C[C@H](Cc1ccccc1)C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000182027767 356106139 /nfs/dbraw/zinc/10/61/39/356106139.db2.gz SAKZYEDUQGIKJD-AEFFLSMTSA-N 1 0 316.445 2.188 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2cnn(C)c2)cc1F ZINC000181348001 356078142 /nfs/dbraw/zinc/07/81/42/356078142.db2.gz ZBVMQHGWHNGLSU-CYBMUJFWSA-N 1 0 318.396 2.177 10 0 DEAERO NC(=[NH2+])[C@H](NS(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000079783927 191972201 /nfs/dbraw/zinc/97/22/01/191972201.db2.gz VDFOVADRUBDDGQ-CQSZACIVSA-N 1 0 309.435 2.163 10 0 DEAERO CCN(CC)C(=O)C1([NH2+]C[C@@H](O)C(F)(F)F)CCCCC1 ZINC000181761484 356095495 /nfs/dbraw/zinc/09/54/95/356095495.db2.gz PZWUNTIMIDEXMH-LLVKDONJSA-N 1 0 310.360 2.071 10 0 DEAERO CCc1cnc(CC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)s1 ZINC000183046463 356157526 /nfs/dbraw/zinc/15/75/26/356157526.db2.gz NFAURWGSFHMRJY-OLZOCXBDSA-N 1 0 316.492 2.193 10 0 DEAERO COC[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)C1CCOCC1 ZINC000187915274 356214220 /nfs/dbraw/zinc/21/42/20/356214220.db2.gz GNVGBTYBOIOKDV-AWEZNQCLSA-N 1 0 324.387 2.044 10 0 DEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N[C@H](C)c2nccs2)cc1 ZINC000080314428 192023700 /nfs/dbraw/zinc/02/37/00/192023700.db2.gz JNFRRLYWVHXVFD-NXEZZACHSA-N 1 0 311.432 2.202 10 0 DEAERO CC(C)N(CC(N)=[NH2+])S(=O)(=O)c1ccccc1C(F)(F)F ZINC000080224666 192014606 /nfs/dbraw/zinc/01/46/06/192014606.db2.gz JWJKKVUOTBZTMU-UHFFFAOYSA-N 1 0 323.340 2.040 10 0 DEAERO CCO[C@H](CCNC(=O)N1CCC[N@@H+](C2CC2)CC1)C(C)C ZINC000080726658 192186477 /nfs/dbraw/zinc/18/64/77/192186477.db2.gz AAQQYUXPJJYNPS-MRXNPFEDSA-N 1 0 311.470 2.317 10 0 DEAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000226465006 356278779 /nfs/dbraw/zinc/27/87/79/356278779.db2.gz QAQPQPGUBANCTR-NSHDSACASA-N 1 0 320.817 2.242 10 0 DEAERO [NH3+]Cc1ccc(I)nc1OC(F)(F)F ZINC000238681158 356305286 /nfs/dbraw/zinc/30/52/86/356305286.db2.gz URPYDALUUJQGHS-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400394479 283156764 /nfs/dbraw/zinc/15/67/64/283156764.db2.gz JBZZOUQNXOVYLT-RRFJBIMHSA-N 1 0 323.481 2.458 10 0 DEAERO COC[C@@H]1CC[N@H+](CCCOc2ccccc2C(N)=S)C1 ZINC000081065113 192222408 /nfs/dbraw/zinc/22/24/08/192222408.db2.gz XDZAQGQVPGLNJE-CYBMUJFWSA-N 1 0 308.447 2.058 10 0 DEAERO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400471774 283157235 /nfs/dbraw/zinc/15/72/35/283157235.db2.gz YDZIFHWWVDAHDS-XDQVBPFNSA-N 1 0 300.443 2.381 10 0 DEAERO C[C@@H]([NH2+]CCc1cnccn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400476358 283157644 /nfs/dbraw/zinc/15/76/44/283157644.db2.gz ZXBLUDGFJFPUOK-ZIAGYGMSSA-N 1 0 320.437 2.254 10 0 DEAERO C[C@H]1CC[C@]([NH3+])(c2ncncc2I)C1 ZINC000306153618 356403085 /nfs/dbraw/zinc/40/30/85/356403085.db2.gz 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CC[C@@H]([NH2+]Cc1cc(Br)c(O)c(OC)c1)[C@H](C)O ZINC000386718951 356698490 /nfs/dbraw/zinc/69/84/90/356698490.db2.gz RMXPUIUEVNTNPT-GZMMTYOYSA-N 1 0 318.211 2.412 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000390714310 356709898 /nfs/dbraw/zinc/70/98/98/356709898.db2.gz BRCLIOKOPCSQEY-CVEARBPZSA-N 1 0 304.434 2.488 10 0 DEAERO CN1CCO[C@H](C[N@H+](C)Cc2ccc(Br)cc2)C1 ZINC000404187780 356732462 /nfs/dbraw/zinc/73/24/62/356732462.db2.gz BGAYRRQZCRAQOS-AWEZNQCLSA-N 1 0 313.239 2.212 10 0 DEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000393926507 356713459 /nfs/dbraw/zinc/71/34/59/356713459.db2.gz HEZPJYOHQDJBCG-BHIYHBOVSA-N 1 0 320.477 2.417 10 0 DEAERO COC(=O)COc1c(C)cc(C[NH2+][C@H]2CCCOC2)cc1C ZINC000237175121 202176962 /nfs/dbraw/zinc/17/69/62/202176962.db2.gz QEQPOGLHNBZFRC-HNNXBMFYSA-N 1 0 307.390 2.124 10 0 DEAERO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCOC2)c(OC)c1 ZINC000177928115 198790088 /nfs/dbraw/zinc/79/00/88/198790088.db2.gz LJWKJSZJBRRZOF-QWHCGFSZSA-N 1 0 322.405 2.190 10 0 DEAERO CCS(=O)(=O)CCCOc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000086973361 192603573 /nfs/dbraw/zinc/60/35/73/192603573.db2.gz RHXMDWQGAYAALJ-UHFFFAOYSA-N 1 0 309.431 2.267 10 0 DEAERO CC[C@@]1(C)C[NH2+][C@](C)(C2CC2)CN1CCCS(=O)(=O)CC ZINC000086982653 192606259 /nfs/dbraw/zinc/60/62/59/192606259.db2.gz QEPCTQWPQKEERN-HOTGVXAUSA-N 1 0 316.511 2.054 10 0 DEAERO CCS(=O)(=O)CCCN1C[C@@H](C2CCCCC2)[NH2+]C[C@@H]1C ZINC000086982750 192606445 /nfs/dbraw/zinc/60/64/45/192606445.db2.gz ANZCQTKZGJWFQH-HOCLYGCPSA-N 1 0 316.511 2.054 10 0 DEAERO NC(=O)N1CCC([NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000178119874 198818666 /nfs/dbraw/zinc/81/86/66/198818666.db2.gz YCMCVFZXSSZNJL-HOTGVXAUSA-N 1 0 303.406 2.039 10 0 DEAERO CC(C)[NH2+]CCCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000088905556 192650820 /nfs/dbraw/zinc/65/08/20/192650820.db2.gz GUZVMWCBHPKPNJ-UHFFFAOYSA-N 1 0 310.463 2.402 10 0 DEAERO CC[C@H](C)N(C)S(=O)(=O)c1ccc(OCCC[NH2+]C)cc1 ZINC000088949719 192666546 /nfs/dbraw/zinc/66/65/46/192666546.db2.gz QDDFQLSCCLYAOB-ZDUSSCGKSA-N 1 0 314.451 2.094 10 0 DEAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000582015115 357287098 /nfs/dbraw/zinc/28/70/98/357287098.db2.gz HZRGVXUKNLROAX-HRCADAONSA-N 1 0 323.408 2.172 10 0 DEAERO CCCN(C[C@@H]1CCCCO1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000106534039 283273902 /nfs/dbraw/zinc/27/39/02/283273902.db2.gz IXRBHYAHKBIZHR-WBVHZDCISA-N 1 0 323.481 2.461 10 0 DEAERO CC(C)c1ccc(C[NH2+]CCCN2CCCS2(=O)=O)cc1 ZINC000591716810 357753148 /nfs/dbraw/zinc/75/31/48/357753148.db2.gz OHKIJWXJWZGIJW-UHFFFAOYSA-N 1 0 310.463 2.325 10 0 DEAERO C[C@H]1CCN(c2ccccc2S(=O)(=O)C(F)F)C[C@@H]1C[NH3+] ZINC000164014295 290592461 /nfs/dbraw/zinc/59/24/61/290592461.db2.gz SXPAHOHOLXJISF-QWRGUYRKSA-N 1 0 318.389 2.104 10 0 DEAERO C=Cn1cc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)cn1 ZINC000592372711 357868069 /nfs/dbraw/zinc/86/80/69/357868069.db2.gz LPVOMPVEQHEBJZ-UHFFFAOYSA-N 1 0 321.421 2.212 10 0 DEAERO C[N@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000179495648 199045702 /nfs/dbraw/zinc/04/57/02/199045702.db2.gz MBTNINOQLOINHT-MRXNPFEDSA-N 1 0 322.416 2.454 10 0 DEAERO CC(C)C[C@@H](C)N(C)S(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000089004839 192692483 /nfs/dbraw/zinc/69/24/83/192692483.db2.gz VXPZMKATGADPNM-LLVKDONJSA-N 1 0 302.415 2.340 10 0 DEAERO Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000180163147 199124740 /nfs/dbraw/zinc/12/47/40/199124740.db2.gz ZHKJDMDVVHJCCR-IEBWSBKVSA-N 1 0 309.413 2.494 10 0 DEAERO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)nn1-c1ccc(C)cc1 ZINC000180253415 199136948 /nfs/dbraw/zinc/13/69/48/199136948.db2.gz DPEUDWQFIOJRIV-INIZCTEOSA-N 1 0 312.417 2.265 10 0 DEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cnn(Cc2ccccc2)c1 ZINC000180580968 199179768 /nfs/dbraw/zinc/17/97/68/199179768.db2.gz OPILHUJNVBVQDW-YOEHRIQHSA-N 1 0 322.416 2.189 10 0 DEAERO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1OC ZINC000180606155 199183450 /nfs/dbraw/zinc/18/34/50/199183450.db2.gz RKHBFTAURRYPED-CHWSQXEVSA-N 1 0 316.405 2.269 10 0 DEAERO CCOCCN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000181088342 199250828 /nfs/dbraw/zinc/25/08/28/199250828.db2.gz FIMXANCWDMGXPL-UHFFFAOYSA-N 1 0 319.449 2.460 10 0 DEAERO COc1c(C)ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1C ZINC000181161601 199258681 /nfs/dbraw/zinc/25/86/81/199258681.db2.gz GOLODIGTTLIQOR-AWEZNQCLSA-N 1 0 321.421 2.106 10 0 DEAERO CC(C)[NH2+]CCCCS(=O)(=O)N(CC(F)(F)F)C1CC1 ZINC000089008753 192695174 /nfs/dbraw/zinc/69/51/74/192695174.db2.gz POKVOUMSGAUHKA-UHFFFAOYSA-N 1 0 316.389 2.121 10 0 DEAERO C[C@@H]1C[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)c(C[NH3+])c1 ZINC000089038890 192713616 /nfs/dbraw/zinc/71/36/16/192713616.db2.gz ABADVOFPUFZBQE-MWLCHTKSSA-N 1 0 302.827 2.075 10 0 DEAERO C[NH2+]Cc1cccc(CS(=O)(=O)N2CCC[C@@H](C)CC2)c1 ZINC000089036811 192712199 /nfs/dbraw/zinc/71/21/99/192712199.db2.gz RHDSXQJGZKXYGC-CQSZACIVSA-N 1 0 310.463 2.358 10 0 DEAERO C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1CCOC(F)(F)F ZINC000089057242 192721553 /nfs/dbraw/zinc/72/15/53/192721553.db2.gz VXIUBONXAAJVNW-TZMCWYRMSA-N 1 0 302.340 2.428 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1CO)c1ccc(S(C)(=O)=O)cc1 ZINC000089495336 192803150 /nfs/dbraw/zinc/80/31/50/192803150.db2.gz AAVPIGGORRJLSF-AEGPPILISA-N 1 0 311.447 2.149 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)NC[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089532217 192811647 /nfs/dbraw/zinc/81/16/47/192811647.db2.gz CJELUNBQTLEEHA-CHWSQXEVSA-N 1 0 314.426 2.178 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186808137 200014623 /nfs/dbraw/zinc/01/46/23/200014623.db2.gz KNDLKVDIJXBLCM-OAHLLOKOSA-N 1 0 304.434 2.046 10 0 DEAERO C[N@H+](CC1(CO)CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000186766326 200006272 /nfs/dbraw/zinc/00/62/72/200006272.db2.gz ZQHWODAWYRZHJF-AWEZNQCLSA-N 1 0 308.809 2.150 10 0 DEAERO CC[C@H](C)Oc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccn1 ZINC000186927425 200032141 /nfs/dbraw/zinc/03/21/41/200032141.db2.gz CEUOBQHYGSUFQV-MHEUCROKSA-N 1 0 303.406 2.068 10 0 DEAERO Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)c12 ZINC000186885035 200026708 /nfs/dbraw/zinc/02/67/08/200026708.db2.gz JUFUUSVWICOONZ-IINYFYTJSA-N 1 0 316.405 2.382 10 0 DEAERO Cc1noc2nc(C(C)C)cc(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)c12 ZINC000186885054 200026789 /nfs/dbraw/zinc/02/67/89/200026789.db2.gz JUFUUSVWICOONZ-HZMBPMFUSA-N 1 0 316.405 2.382 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cc(F)ccc1OC ZINC000187041805 200051805 /nfs/dbraw/zinc/05/18/05/200051805.db2.gz PTBSEWNCOINIGA-LBPRGKRZSA-N 1 0 311.401 2.364 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000187475261 200117063 /nfs/dbraw/zinc/11/70/63/200117063.db2.gz BWBACNQUBPHAKT-SFHVURJKSA-N 1 0 313.401 2.175 10 0 DEAERO COc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000187589583 200131032 /nfs/dbraw/zinc/13/10/32/200131032.db2.gz UGGRYQAQQJLWQB-HIFRSBDPSA-N 1 0 315.410 2.280 10 0 DEAERO CCOc1cccc2[nH]cc(CC(=O)N3CC[C@@H]([NH+](C)C)C3)c21 ZINC000187448505 200113566 /nfs/dbraw/zinc/11/35/66/200113566.db2.gz YLDDUBVSUXEQML-CQSZACIVSA-N 1 0 315.417 2.272 10 0 DEAERO CCC[C@@H](C)[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000187684716 200144568 /nfs/dbraw/zinc/14/45/68/200144568.db2.gz SJWOLEOBRYCLLJ-IAGOWNOFSA-N 1 0 306.450 2.233 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N2CCc3sccc3C2)C1 ZINC000187944387 200180277 /nfs/dbraw/zinc/18/02/77/200180277.db2.gz XEIWJGKEVGCXLD-CXAGYDPISA-N 1 0 322.474 2.116 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000237643068 202315618 /nfs/dbraw/zinc/31/56/18/202315618.db2.gz HTYLQGMNEYDGNA-BLLLJJGKSA-N 1 0 315.417 2.092 10 0 DEAERO Cn1cc(Br)cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000237872029 202376029 /nfs/dbraw/zinc/37/60/29/202376029.db2.gz XPLMDLQASGHOOA-UHFFFAOYSA-N 1 0 314.227 2.179 10 0 DEAERO CC(=O)OC(C)(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000188746453 200298705 /nfs/dbraw/zinc/29/87/05/200298705.db2.gz MGGQIFGCJOGKCU-UHFFFAOYSA-N 1 0 318.417 2.240 10 0 DEAERO CO[C@H]1C[N@H+](CCC(=O)NC(=O)Nc2ccccc2)CC[C@H]1C ZINC000189263765 200372434 /nfs/dbraw/zinc/37/24/34/200372434.db2.gz QLHIMNIHDIBBGO-HIFRSBDPSA-N 1 0 319.405 2.082 10 0 DEAERO CN(CC1(CO)CC1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000189160126 200358385 /nfs/dbraw/zinc/35/83/85/200358385.db2.gz ZTTVNZCJDJUMMH-UHFFFAOYSA-N 1 0 316.401 2.339 10 0 DEAERO CO[C@@H]1C[N@H+](CC(=O)NCc2ccc(C)c(F)c2)CC[C@H]1C ZINC000189371827 200388538 /nfs/dbraw/zinc/38/85/38/200388538.db2.gz XQJZQZXMURRIMP-CZUORRHYSA-N 1 0 308.397 2.107 10 0 DEAERO COC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000601832177 360166970 /nfs/dbraw/zinc/16/69/70/360166970.db2.gz XIKJXZOJDUMILU-OAHLLOKOSA-N 1 0 307.390 2.167 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000603286798 360778673 /nfs/dbraw/zinc/77/86/73/360778673.db2.gz XDMIWHRRSDRHMF-UHFFFAOYSA-N 1 0 303.406 2.033 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000604161807 360887475 /nfs/dbraw/zinc/88/74/75/360887475.db2.gz NFCNOKQFVHKMJL-DGCLKSJQSA-N 1 0 321.396 2.431 10 0 DEAERO O=C(CC[N@@H+]1CCCC12CCC2)NCC(=O)c1ccccc1 ZINC000444780441 238316005 /nfs/dbraw/zinc/31/60/05/238316005.db2.gz FEUJMFZWFHONFO-UHFFFAOYSA-N 1 0 300.402 2.394 10 0 DEAERO O=C(C[N@H+]1CCC[C@H]1CCCO)NC12CC3CC(CC(C3)C1)C2 ZINC000607733495 361110359 /nfs/dbraw/zinc/11/03/59/361110359.db2.gz WWLPJEBETXDRAH-WCWCZOKXSA-N 1 0 320.477 2.308 10 0 DEAERO C[C@H]([NH3+])CCC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000193267169 201016673 /nfs/dbraw/zinc/01/66/73/201016673.db2.gz HTQFUUJWPBIPBZ-GZMMTYOYSA-N 1 0 305.205 2.270 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@@H]3CCC[NH2+][C@@H]3C)nc21 ZINC000193499761 201064729 /nfs/dbraw/zinc/06/47/29/201064729.db2.gz BUAFQJODOCCXNP-CHWSQXEVSA-N 1 0 300.406 2.061 10 0 DEAERO CSCC[C@@H](C)N(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610478447 361405199 /nfs/dbraw/zinc/40/51/99/361405199.db2.gz YEHSPXQMIUADEM-GFCCVEGCSA-N 1 0 313.471 2.050 10 0 DEAERO c1cnc(N[C@@H]2CC[N@@H+](Cc3cnc4ccccc4n3)C2)nc1 ZINC000628321367 366810153 /nfs/dbraw/zinc/81/01/53/366810153.db2.gz CCUZFCIYQLWSQG-CYBMUJFWSA-N 1 0 306.373 2.106 10 0 DEAERO CC(C)(C)OC(=O)c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000610952849 361498094 /nfs/dbraw/zinc/49/80/94/361498094.db2.gz OBTBIIULWMVTOY-HZPDHXFCSA-N 1 0 302.418 2.293 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccncn1 ZINC000194179460 201193018 /nfs/dbraw/zinc/19/30/18/201193018.db2.gz LHESFQVAYXMBEL-UHFFFAOYSA-N 1 0 311.389 2.394 10 0 DEAERO CCCCNC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611405248 361593087 /nfs/dbraw/zinc/59/30/87/361593087.db2.gz AZCYPPOHSONIGN-MRXNPFEDSA-N 1 0 320.433 2.433 10 0 DEAERO COC(=O)[C@H](O)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000611286386 361572886 /nfs/dbraw/zinc/57/28/86/361572886.db2.gz XUMWGILUIQSUJJ-QGZVFWFLSA-N 1 0 303.402 2.310 10 0 DEAERO O=C1[C@H]([NH2+]C[C@@H]2CCC=CO2)CCN1Cc1ccc(F)cc1 ZINC000194885879 201305955 /nfs/dbraw/zinc/30/59/55/201305955.db2.gz LYDMSNLWVFWHFY-JKSUJKDBSA-N 1 0 304.365 2.209 10 0 DEAERO C[C@@H]1CN(Cc2cnns2)CC[N@H+](Cc2ccccc2)C1 ZINC000448551923 239369949 /nfs/dbraw/zinc/36/99/49/239369949.db2.gz GGSWOPBCXKFJKL-AWEZNQCLSA-N 1 0 302.447 2.492 10 0 DEAERO [NH3+]CCc1nc(-c2nc(Cc3ccc(F)cc3)no2)cs1 ZINC000090938658 192956789 /nfs/dbraw/zinc/95/67/89/192956789.db2.gz JMNFIDSKQDPCMS-UHFFFAOYSA-N 1 0 304.350 2.424 10 0 DEAERO CCCc1ccc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)s1 ZINC000621718775 364524002 /nfs/dbraw/zinc/52/40/02/364524002.db2.gz SPRWHCXYXQELJP-UHFFFAOYSA-N 1 0 303.431 2.353 10 0 DEAERO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000621768915 364538854 /nfs/dbraw/zinc/53/88/54/364538854.db2.gz WNFPFXUGUXKFOL-ONGXEEELSA-N 1 0 304.362 2.030 10 0 DEAERO C[C@H](N)c1nc(C(=O)NCC2([NH+](C)C)CCCCC2)cs1 ZINC000090951870 192963395 /nfs/dbraw/zinc/96/33/95/192963395.db2.gz QQULDQNZQDZVDT-NSHDSACASA-N 1 0 310.467 2.157 10 0 DEAERO C[NH+](C)C1CC(NC(=O)c2ccsc2Br)C1 ZINC000622007527 364631574 /nfs/dbraw/zinc/63/15/74/364631574.db2.gz DIQGLBNEWIIEAS-UHFFFAOYSA-N 1 0 303.225 2.333 10 0 DEAERO C[C@H](C(=O)N[C@@H]1CCO[C@H]1c1cccnc1)[NH+]1CCCCCC1 ZINC000623139544 364896631 /nfs/dbraw/zinc/89/66/31/364896631.db2.gz RDCCCMREKRSMFT-OIISXLGYSA-N 1 0 317.433 2.292 10 0 DEAERO CC[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)C1CCCC1 ZINC000449146355 240120639 /nfs/dbraw/zinc/12/06/39/240120639.db2.gz CCFUJZDEJYCKEY-SFHVURJKSA-N 1 0 321.509 2.489 10 0 DEAERO CC1(C)CC[C@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000449151511 240123106 /nfs/dbraw/zinc/12/31/06/240123106.db2.gz XVYQLHQRPAERGF-INIZCTEOSA-N 1 0 307.482 2.099 10 0 DEAERO CCOC[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623429273 365028185 /nfs/dbraw/zinc/02/81/85/365028185.db2.gz VULUTOFSVYNIRX-SECBINFHSA-N 1 0 324.165 2.214 10 0 DEAERO c1nnc2ccc(N3CC[C@@H]([NH2+]CC4CCCCCC4)C3)nn12 ZINC000623652240 365117606 /nfs/dbraw/zinc/11/76/06/365117606.db2.gz ALWXRMDRKYBTRA-OAHLLOKOSA-N 1 0 314.437 2.263 10 0 DEAERO c1cc(CN2CCO[C@@H](C[NH2+]C[C@@H]3CC=CCC3)C2)ccn1 ZINC000623780496 365172218 /nfs/dbraw/zinc/17/22/18/365172218.db2.gz NGSFDTAHLPRJGB-AEFFLSMTSA-N 1 0 301.434 2.228 10 0 DEAERO Cc1cc(Br)ccc1C[NH2+]C[C@H]1COCCN1C ZINC000623711426 365141778 /nfs/dbraw/zinc/14/17/78/365141778.db2.gz DZPNZMUKEZTWQC-AWEZNQCLSA-N 1 0 313.239 2.178 10 0 DEAERO CCn1c(C[C@H]2C[NH2+]CCO2)nc2cc(Br)ccc21 ZINC000091293254 193033413 /nfs/dbraw/zinc/03/34/13/193033413.db2.gz BRQICKVDDXEWFS-NSHDSACASA-N 1 0 324.222 2.350 10 0 DEAERO [NH3+]CC1CC(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000091451633 193058859 /nfs/dbraw/zinc/05/88/59/193058859.db2.gz CDSMMFRJNTXRNX-UHFFFAOYSA-N 1 0 309.309 2.096 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H](O)C[NH2+]CC(C)C ZINC000091465587 193059101 /nfs/dbraw/zinc/05/91/01/193059101.db2.gz GRVZYEZVTNAUHA-NSHDSACASA-N 1 0 318.259 2.123 10 0 DEAERO Cc1nc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])ccc1Br ZINC000091507282 193067564 /nfs/dbraw/zinc/06/75/64/193067564.db2.gz CQUZKUXGRTZMDR-UWVGGRQHSA-N 1 0 312.211 2.466 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(Sc3nc[nH]n3)cc2)C1 ZINC000091543587 193071398 /nfs/dbraw/zinc/07/13/98/193071398.db2.gz LTXWFYAOIUXAJO-VHSXEESVSA-N 1 0 303.391 2.022 10 0 DEAERO O=C(CC[NH+]1CC(CO)C1)Nc1c(Cl)cccc1Cl ZINC000091478415 193062402 /nfs/dbraw/zinc/06/24/02/193062402.db2.gz WGCMZYQEDHIMDJ-UHFFFAOYSA-N 1 0 303.189 2.246 10 0 DEAERO C[C@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Br)cc1 ZINC000624171923 365316459 /nfs/dbraw/zinc/31/64/59/365316459.db2.gz FBONMXGHGXIUTL-FZMZJTMJSA-N 1 0 313.239 2.430 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1sccc1Br ZINC000624173042 365317938 /nfs/dbraw/zinc/31/79/38/365317938.db2.gz ZKMZRSUHAUYSKW-NXEZZACHSA-N 1 0 319.268 2.492 10 0 DEAERO O=C1N(Cc2ccc(F)cc2Cl)CCN1C1CC[NH2+]CC1 ZINC000091499620 193065149 /nfs/dbraw/zinc/06/51/49/193065149.db2.gz GBXSGDDVZPSFTL-UHFFFAOYSA-N 1 0 311.788 2.469 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(Br)c(C)n1 ZINC000091507267 193066743 /nfs/dbraw/zinc/06/67/43/193066743.db2.gz IVHJAHBZDPFMPY-VIFPVBQESA-N 1 0 300.200 2.466 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)C1(N(C)C)CCC(C)CC1 ZINC000091649432 193085120 /nfs/dbraw/zinc/08/51/20/193085120.db2.gz FQKWDNQPHLOCCC-HWOWSKLDSA-N 1 0 318.527 2.300 10 0 DEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)C1(N(C)C)CCCCC1 ZINC000091647720 193085352 /nfs/dbraw/zinc/08/53/52/193085352.db2.gz UAOYBHVYOYVKPM-HNNXBMFYSA-N 1 0 318.527 2.444 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc(Br)c1 ZINC000091666884 193087588 /nfs/dbraw/zinc/08/75/88/193087588.db2.gz YBZFUXJCOJLHOY-RISCZKNCSA-N 1 0 313.239 2.430 10 0 DEAERO C[NH2+][C@H](c1ccccc1OC(F)(F)F)[C@H]1CN(C)CCO1 ZINC000091717989 193097453 /nfs/dbraw/zinc/09/74/53/193097453.db2.gz RSNWCVQPQSJPLX-CHWSQXEVSA-N 1 0 304.312 2.176 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)C1(N2CCCC2)CCCC1 ZINC000091641220 193082535 /nfs/dbraw/zinc/08/25/35/193082535.db2.gz PPNCNYUTDWZYQS-OAHLLOKOSA-N 1 0 316.511 2.198 10 0 DEAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000091852222 193118222 /nfs/dbraw/zinc/11/82/22/193118222.db2.gz IWCNDYQJYLWIPF-UHFFFAOYSA-N 1 0 314.426 2.496 10 0 DEAERO C[NH2+]C1CCC(N(C)C(=O)c2snnc2C(C)(C)C)CC1 ZINC000091872062 193121182 /nfs/dbraw/zinc/12/11/82/193121182.db2.gz KFLWLCYYOAXAAQ-UHFFFAOYSA-N 1 0 310.467 2.438 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000624407026 365413240 /nfs/dbraw/zinc/41/32/40/365413240.db2.gz RNDFRSXXTLOXNC-JQWIXIFHSA-N 1 0 302.827 2.067 10 0 DEAERO CC(C)C[NH2+]CCn1nnnc1SC/C(Cl)=C/Cl ZINC000092026228 193143399 /nfs/dbraw/zinc/14/33/99/193143399.db2.gz GRNUHOVXTSQNME-UITAMQMPSA-N 1 0 310.254 2.330 10 0 DEAERO COc1c(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(C)nn1C ZINC000091960618 193131921 /nfs/dbraw/zinc/13/19/21/193131921.db2.gz NDUYSAGCWLZMHR-IUODEOHRSA-N 1 0 303.410 2.017 10 0 DEAERO CC[C@H]([NH3+])Cc1ccc(OC[C@H]2CN(C)CCO2)c(Cl)c1 ZINC000092060725 193149303 /nfs/dbraw/zinc/14/93/03/193149303.db2.gz KWILNCAYEHEDSL-UONOGXRCSA-N 1 0 312.841 2.329 10 0 DEAERO CN1CCO[C@@H](COc2c(Cl)cc(Cl)cc2C[NH3+])C1 ZINC000092054306 193149723 /nfs/dbraw/zinc/14/97/23/193149723.db2.gz GYOCJCTZGRQMKR-LLVKDONJSA-N 1 0 305.205 2.162 10 0 DEAERO c1c(CN2CC[NH+](CC3CCCCC3)CC2)nnn1CC1CC1 ZINC000450299826 241660431 /nfs/dbraw/zinc/66/04/31/241660431.db2.gz QVTDFPQGGSIGSF-UHFFFAOYSA-N 1 0 317.481 2.386 10 0 DEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccncc1Br)C2 ZINC000629593212 367266938 /nfs/dbraw/zinc/26/69/38/367266938.db2.gz IRZDMUVEVSAJOG-OKILXGFUSA-N 1 0 310.239 2.276 10 0 DEAERO COC[C@@H]([NH3+])Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000630586517 367741604 /nfs/dbraw/zinc/74/16/04/367741604.db2.gz YWZWUKJAPBQPCC-VIFPVBQESA-N 1 0 301.177 2.090 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)cs1 ZINC000092113671 193161357 /nfs/dbraw/zinc/16/13/57/193161357.db2.gz ZHXVBYNJIRCLOR-PHIMTYICSA-N 1 0 302.465 2.134 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cs1 ZINC000092113672 193161448 /nfs/dbraw/zinc/16/14/48/193161448.db2.gz ZHXVBYNJIRCLOR-GHMZBOCLSA-N 1 0 302.465 2.134 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccccc2C[NH2+]C2CC2)C[C@@H]1C ZINC000092113967 193161527 /nfs/dbraw/zinc/16/15/27/193161527.db2.gz RNQRKMXLHHWKOE-STQMWFEESA-N 1 0 308.447 2.215 10 0 DEAERO CCC[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c(C)o1 ZINC000092113406 193161839 /nfs/dbraw/zinc/16/18/39/193161839.db2.gz USIACLILMWVPIR-TXEJJXNPSA-N 1 0 314.451 2.364 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)c(F)c1 ZINC000092115539 193163440 /nfs/dbraw/zinc/16/34/40/193163440.db2.gz CAUWVLDOAZIPOS-UHFFFAOYSA-N 1 0 300.399 2.110 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@H](C)CC)c(F)c1 ZINC000092116107 193164074 /nfs/dbraw/zinc/16/40/74/193164074.db2.gz HWXHEXJMFMZOGP-LLVKDONJSA-N 1 0 302.415 2.260 10 0 DEAERO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000528757632 284001505 /nfs/dbraw/zinc/00/15/05/284001505.db2.gz NDUSDBSOKGHRKA-HEKSYOIISA-N 1 0 304.390 2.229 10 0 DEAERO c1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)n(CC2CCC2)n1 ZINC000631105919 368019645 /nfs/dbraw/zinc/01/96/45/368019645.db2.gz PGKHQPXCMPWSSP-RDJZCZTQSA-N 1 0 305.422 2.111 10 0 DEAERO c1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)n(CC2CCC2)n1 ZINC000631105922 368019761 /nfs/dbraw/zinc/01/97/61/368019761.db2.gz PGKHQPXCMPWSSP-WBVHZDCISA-N 1 0 305.422 2.111 10 0 DEAERO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000631844550 368420294 /nfs/dbraw/zinc/42/02/94/368420294.db2.gz XZTUXJKBPWIVKC-NXEZZACHSA-N 1 0 316.232 2.459 10 0 DEAERO C[C@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000631844099 368421008 /nfs/dbraw/zinc/42/10/08/368421008.db2.gz VBWQLNWPQQOBPJ-VHSXEESVSA-N 1 0 316.232 2.459 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000631831813 368409024 /nfs/dbraw/zinc/40/90/24/368409024.db2.gz PJDYKINSJXBWLK-CZUORRHYSA-N 1 0 317.433 2.420 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCCCC[C@H]([NH3+])C1 ZINC000631831877 368409522 /nfs/dbraw/zinc/40/95/22/368409522.db2.gz RQRWBDCZAWUGGU-KRWDZBQOSA-N 1 0 303.450 2.238 10 0 DEAERO CC(=O)N(c1nc(CN2CCCCC[C@@H]([NH3+])C2)cs1)C1CC1 ZINC000631833435 368411183 /nfs/dbraw/zinc/41/11/83/368411183.db2.gz ANIUVNKSFQXKJU-CYBMUJFWSA-N 1 0 322.478 2.362 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC000631968358 368471950 /nfs/dbraw/zinc/47/19/50/368471950.db2.gz UMANGJNKRQLDIH-BDAKNGLRSA-N 1 0 323.245 2.209 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)c(F)c1 ZINC000631960631 368467758 /nfs/dbraw/zinc/46/77/58/368467758.db2.gz UBNBZWUJUSPNMR-LBPRGKRZSA-N 1 0 300.399 2.026 10 0 DEAERO CC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1cn(C)nc1C)c1ccco1 ZINC000451676582 243293182 /nfs/dbraw/zinc/29/31/82/243293182.db2.gz SSNMNEGJQCDPSS-WFASDCNBSA-N 1 0 318.421 2.110 10 0 DEAERO CCC[C@]1(COC)CCCN1C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000193471728 284079963 /nfs/dbraw/zinc/07/99/63/284079963.db2.gz YPXWIVAFZDIVBD-NVXWUHKLSA-N 1 0 311.470 2.461 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc2c(c1)CCCC2 ZINC000261868456 203138425 /nfs/dbraw/zinc/13/84/25/203138425.db2.gz STWIIAZJIKNQSR-VUCTXSBTSA-N 1 0 302.418 2.249 10 0 DEAERO CCc1ccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000093147421 193207890 /nfs/dbraw/zinc/20/78/90/193207890.db2.gz OVKAZPMNGLESNY-INIZCTEOSA-N 1 0 305.466 2.444 10 0 DEAERO CC[NH2+]C[C@@H](c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000093165537 193209285 /nfs/dbraw/zinc/20/92/85/193209285.db2.gz VAHKYPNFAUFOEJ-JSGCOSHPSA-N 1 0 301.839 2.468 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000262297149 203252740 /nfs/dbraw/zinc/25/27/40/203252740.db2.gz JIBCGCKFPRPJEM-YOEHRIQHSA-N 1 0 307.438 2.440 10 0 DEAERO C[NH2+]C[C@H]1CCCN(C(=O)c2coc(Br)c2)C1 ZINC000262343921 203266758 /nfs/dbraw/zinc/26/67/58/203266758.db2.gz ZEGUBDKOLGGCRJ-SECBINFHSA-N 1 0 301.184 2.114 10 0 DEAERO C[NH2+]C[C@@H]1CCCN(C(=O)c2coc(Br)c2)C1 ZINC000262343922 203268330 /nfs/dbraw/zinc/26/83/30/203268330.db2.gz ZEGUBDKOLGGCRJ-VIFPVBQESA-N 1 0 301.184 2.114 10 0 DEAERO Cc1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)sc1C ZINC000262425151 203291514 /nfs/dbraw/zinc/29/15/14/203291514.db2.gz VQXCWCFPUNJEQP-UHFFFAOYSA-N 1 0 319.434 2.213 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000262587922 203341520 /nfs/dbraw/zinc/34/15/20/203341520.db2.gz TXMBZXDZMRFVQL-MAUKXSAKSA-N 1 0 306.450 2.422 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000093213228 193217587 /nfs/dbraw/zinc/21/75/87/193217587.db2.gz QUABGKAWRXHRLU-ZJUUUORDSA-N 1 0 304.362 2.365 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc(OCC[NH3+])cc1 ZINC000093265926 193222477 /nfs/dbraw/zinc/22/24/77/193222477.db2.gz SCZZUYFLRURNJS-CYBMUJFWSA-N 1 0 314.451 2.081 10 0 DEAERO Nc1c(C(=O)NCC[NH+]2CCCC2)sc2cccc(F)c12 ZINC000093412208 193245592 /nfs/dbraw/zinc/24/55/92/193245592.db2.gz RGWWLMKHRFCAIB-UHFFFAOYSA-N 1 0 307.394 2.448 10 0 DEAERO C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000093464390 193256144 /nfs/dbraw/zinc/25/61/44/193256144.db2.gz LILCWTLGWZGFQY-MNOVXSKESA-N 1 0 315.414 2.140 10 0 DEAERO NC1=[NH+]C[C@]2(CCC[C@H](C(F)(F)F)C2)N1C[C@@H]1CCCO1 ZINC000093378303 193241191 /nfs/dbraw/zinc/24/11/91/193241191.db2.gz HIBNQIHNUWVRRF-GMXVVIOVSA-N 1 0 305.344 2.287 10 0 DEAERO COCC[C@@]1(C)C[NH+]=C(N)N1c1ccc(Br)cc1 ZINC000093386592 193242070 /nfs/dbraw/zinc/24/20/70/193242070.db2.gz XIHFPUMFHLLWCE-ZDUSSCGKSA-N 1 0 312.211 2.379 10 0 DEAERO CCCCOCCOCC[C@H]1CCC[C@]1([NH3+])C(=O)OCC ZINC000093618570 193275088 /nfs/dbraw/zinc/27/50/88/193275088.db2.gz OLGWRQUYKUKWGQ-GDBMZVCRSA-N 1 0 301.427 2.271 10 0 DEAERO NC(=O)[C@]1([NH2+]C2CC2)CCC[C@H]1CCSc1ccccn1 ZINC000093629138 193275965 /nfs/dbraw/zinc/27/59/65/193275965.db2.gz FUXMINFODIYHFP-LRDDRELGSA-N 1 0 305.447 2.340 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1ccc(Cl)cn1 ZINC000093631204 193277562 /nfs/dbraw/zinc/27/75/62/193277562.db2.gz ABUSSTKCLLAADU-QMTHXVAHSA-N 1 0 313.854 2.461 10 0 DEAERO Cc1cccc([C@](C)([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093699160 193293135 /nfs/dbraw/zinc/29/31/35/193293135.db2.gz JPCWMWDVJPZMJE-GDBMZVCRSA-N 1 0 310.463 2.231 10 0 DEAERO CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000093700063 193293867 /nfs/dbraw/zinc/29/38/67/193293867.db2.gz BWWPAAHHAWCWPS-HIFRSBDPSA-N 1 0 302.484 2.216 10 0 DEAERO CCC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093700033 193294270 /nfs/dbraw/zinc/29/42/70/193294270.db2.gz HOSGGTAMFROPLR-KGLIPLIRSA-N 1 0 304.500 2.462 10 0 DEAERO CC(C)C[C@]1(C[C@H]2CCCN(S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000093700701 193294750 /nfs/dbraw/zinc/29/47/50/193294750.db2.gz KUVKRVHYWUAIAJ-CABCVRRESA-N 1 0 302.484 2.216 10 0 DEAERO CC(C)(C)[C@]1(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000093700695 193294755 /nfs/dbraw/zinc/29/47/55/193294755.db2.gz BGUUGZGLHLVILT-DZGCQCFKSA-N 1 0 302.484 2.216 10 0 DEAERO CCC[NH2+]C[C@](C)(CC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701550 193294818 /nfs/dbraw/zinc/29/48/18/193294818.db2.gz DEPQSNZGUHNGRU-HUUCEWRRSA-N 1 0 304.500 2.464 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2ccc(F)c(F)c2)C1 ZINC000093776350 193304361 /nfs/dbraw/zinc/30/43/61/193304361.db2.gz IYAKIWBDSHPKGF-QMTHXVAHSA-N 1 0 300.374 2.443 10 0 DEAERO Cc1cnc(S[C@H]2CCC[C@@]([NH2+]C(C)C)(C(N)=O)C2)nc1 ZINC000093778967 193306187 /nfs/dbraw/zinc/30/61/87/193306187.db2.gz ALMZRQMHZVHXKX-WFASDCNBSA-N 1 0 308.451 2.042 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc2c1OCCO2 ZINC000093820172 193312592 /nfs/dbraw/zinc/31/25/92/193312592.db2.gz JITSQMCPDNVTNJ-QGZVFWFLSA-N 1 0 305.374 2.079 10 0 DEAERO NC(=O)[C@]1([NH3+])CC[C@@H](Sc2ccccc2Br)C1 ZINC000093849007 193317343 /nfs/dbraw/zinc/31/73/43/193317343.db2.gz MYDLRLCXMAGURA-PELKAZGASA-N 1 0 315.236 2.277 10 0 DEAERO CCCN(CCC)S(=O)(=O)N(CCC)CC1CC[NH2+]CC1 ZINC000094024060 193339042 /nfs/dbraw/zinc/33/90/42/193339042.db2.gz HZDRIGFHTRBDMA-UHFFFAOYSA-N 1 0 319.515 2.065 10 0 DEAERO CCN(CC(C)(C)C[NH3+])c1ccccc1S(=O)(=O)C(F)F ZINC000093892377 193324237 /nfs/dbraw/zinc/32/42/37/193324237.db2.gz FDQYWMVVXOQVGE-UHFFFAOYSA-N 1 0 320.405 2.494 10 0 DEAERO CCN1CCO[C@H]([C@@H](Cc2c(F)cccc2Cl)[NH2+]C)C1 ZINC000093914375 193328525 /nfs/dbraw/zinc/32/85/25/193328525.db2.gz IIIKPEFHLWAMJK-CABCVRRESA-N 1 0 300.805 2.330 10 0 DEAERO CC(C)([C@@H]([NH3+])Cc1nc2ccccc2s1)N1CCOCC1 ZINC000094251475 193355236 /nfs/dbraw/zinc/35/52/36/193355236.db2.gz DPQVZHFSOGYBMV-AWEZNQCLSA-N 1 0 305.447 2.277 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CCS(C)(=O)=O ZINC000094297395 193356708 /nfs/dbraw/zinc/35/67/08/193356708.db2.gz VOILHYLVCXBHMJ-KBPBESRZSA-N 1 0 318.870 2.095 10 0 DEAERO CCC(CC)(C[NH2+]CC(C)C)CN(C)CCS(C)(=O)=O ZINC000094300337 193357752 /nfs/dbraw/zinc/35/77/52/193357752.db2.gz NGZOVAXHBHEFDB-UHFFFAOYSA-N 1 0 306.516 2.015 10 0 DEAERO CN(CCS(C)(=O)=O)CC1(C[NH2+]C2CC2)CCCCCC1 ZINC000094300420 193358351 /nfs/dbraw/zinc/35/83/51/193358351.db2.gz DGCABCGUWYPTFM-UHFFFAOYSA-N 1 0 316.511 2.055 10 0 DEAERO C[N@@H+]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2C(N)=S)C1 ZINC000094336014 193360040 /nfs/dbraw/zinc/36/00/40/193360040.db2.gz VPCKYFVOZNKTNQ-MRVPVSSYSA-N 1 0 318.368 2.241 10 0 DEAERO C[C@@H]1CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)CC[C@H]1[NH3+] ZINC000094340277 193361902 /nfs/dbraw/zinc/36/19/02/193361902.db2.gz MEDHEPMPWSXQCD-PHDIDXHHSA-N 1 0 308.250 2.191 10 0 DEAERO CCC[C@@H](C)NC(=O)[C@H](C)Oc1c(F)cc(C[NH3+])cc1F ZINC000094346196 193363093 /nfs/dbraw/zinc/36/30/93/193363093.db2.gz QGSGSOPLEMABND-ZJUUUORDSA-N 1 0 300.349 2.496 10 0 DEAERO CC(C)[NH2+]Cc1cc(F)c(O[C@@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000094347468 193363345 /nfs/dbraw/zinc/36/33/45/193363345.db2.gz JLSWNRGBFYONAR-LLVKDONJSA-N 1 0 319.373 2.029 10 0 DEAERO C[NH2+]Cc1cc(F)c(OCC(=O)NCCC(C)C)c(F)c1 ZINC000094346615 193363562 /nfs/dbraw/zinc/36/35/62/193363562.db2.gz IPOXPYVXZHRMRL-UHFFFAOYSA-N 1 0 300.349 2.225 10 0 DEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)c1ccc(F)cn1 ZINC000094048076 193341800 /nfs/dbraw/zinc/34/18/00/193341800.db2.gz UPUTZMKSSVXMMV-ZDUSSCGKSA-N 1 0 302.415 2.476 10 0 DEAERO CCS(=O)(=O)CCCOc1ccc(C[NH2+]C(C)(C)C)nc1 ZINC000094211688 193349512 /nfs/dbraw/zinc/34/95/12/193349512.db2.gz YIRSTAFITZVMSV-UHFFFAOYSA-N 1 0 314.451 2.173 10 0 DEAERO CC[C@@](C)([NH3+])C(=O)NCc1cc(F)ccc1Br ZINC000094235829 193353566 /nfs/dbraw/zinc/35/35/66/193353566.db2.gz YXAIUVMTFVTVNK-GFCCVEGCSA-N 1 0 303.175 2.332 10 0 DEAERO COc1cccc([C@H]([NH3+])CS(=O)(=O)c2cccc(F)c2)c1 ZINC000094624909 193385525 /nfs/dbraw/zinc/38/55/25/193385525.db2.gz WINSBCYJEYFWMA-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@@H](Oc2c(F)cc(C[NH3+])cc2F)C1 ZINC000094634589 193386603 /nfs/dbraw/zinc/38/66/03/193386603.db2.gz DKCOEOZJIRZVCR-MNOVXSKESA-N 1 0 319.373 2.158 10 0 DEAERO CCC[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(C)(C)N(C)C ZINC000094642872 193388604 /nfs/dbraw/zinc/38/86/04/193388604.db2.gz AKFBYHOYDKQZBB-QLFBSQMISA-N 1 0 318.527 2.298 10 0 DEAERO C[NH2+][C@H]([C@H]1CCC[C@H](S(C)(=O)=O)C1)C1(N(C)C)CCCC1 ZINC000094642932 193388814 /nfs/dbraw/zinc/38/88/14/193388814.db2.gz LQAMEEPWKDPYJP-SOUVJXGZSA-N 1 0 316.511 2.052 10 0 DEAERO CC[NH2+]Cc1c(C)nn([C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1C ZINC000094643981 193390056 /nfs/dbraw/zinc/39/00/56/193390056.db2.gz BRGCSZQZOQXFBE-KGLIPLIRSA-N 1 0 313.467 2.138 10 0 DEAERO C[NH+](C)C1CCN(c2nc(Br)cn3ccnc23)CC1 ZINC000094487707 193373102 /nfs/dbraw/zinc/37/31/02/193373102.db2.gz PFTOCKSPJNSOQJ-UHFFFAOYSA-N 1 0 324.226 2.022 10 0 DEAERO C[C@H](CC[NH+](C)C)Nc1nc(Br)cn2ccnc12 ZINC000094489098 193373979 /nfs/dbraw/zinc/37/39/79/193373979.db2.gz FAJWCDAJWRNHRU-SECBINFHSA-N 1 0 312.215 2.244 10 0 DEAERO C[C@]12CC3CC(NS(=O)(=O)CCC[NH3+])(C1)C[C@@](C)(C3)C2 ZINC000094544504 193378665 /nfs/dbraw/zinc/37/86/65/193378665.db2.gz ICTOMOHZKSOHKO-HFDVOGEKSA-N 1 0 300.468 2.004 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000094550168 193378822 /nfs/dbraw/zinc/37/88/22/193378822.db2.gz QOCKLHZUFWQGIX-GULGNGMXSA-N 1 0 314.838 2.310 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000094553532 193379537 /nfs/dbraw/zinc/37/95/37/193379537.db2.gz RFUXVZPIHKGJRP-ZJUUUORDSA-N 1 0 322.352 2.154 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)O1 ZINC000094570373 193380467 /nfs/dbraw/zinc/38/04/67/193380467.db2.gz LGQVJTJXROJAGZ-LDYMZIIASA-N 1 0 320.723 2.386 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)O1 ZINC000094569996 193380474 /nfs/dbraw/zinc/38/04/74/193380474.db2.gz RPGWDBJVIHCZGO-LDYMZIIASA-N 1 0 306.259 2.289 10 0 DEAERO COC(=O)c1cc(NC(=O)c2ccc(C[NH3+])o2)ccc1Cl ZINC000094565816 193380543 /nfs/dbraw/zinc/38/05/43/193380543.db2.gz ZMIITWLFBREACB-UHFFFAOYSA-N 1 0 308.721 2.431 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094568007 193380700 /nfs/dbraw/zinc/38/07/00/193380700.db2.gz ONZYOWCYPKYJJD-YPMHNXCESA-N 1 0 317.216 2.458 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)c3ncccc23)O1 ZINC000094567090 193380767 /nfs/dbraw/zinc/38/07/67/193380767.db2.gz UGTFCZRUAYBBDV-TVQRCGJNSA-N 1 0 305.765 2.333 10 0 DEAERO CC[N@H+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1NC ZINC000094596067 193382258 /nfs/dbraw/zinc/38/22/58/193382258.db2.gz OQJQBXXDPKXVFU-UHFFFAOYSA-N 1 0 303.328 2.429 10 0 DEAERO CNc1c(C(=O)NC[C@H](C)[NH+](C)C)cccc1C(F)(F)F ZINC000094598813 193383157 /nfs/dbraw/zinc/38/31/57/193383157.db2.gz WDJINNISRNSVPN-VIFPVBQESA-N 1 0 303.328 2.427 10 0 DEAERO [NH3+]C1CCC(OCCNc2nc3ccc(Cl)cn3n2)CC1 ZINC000094608286 193384413 /nfs/dbraw/zinc/38/44/13/193384413.db2.gz MGMHFQKGHXLJBD-UHFFFAOYSA-N 1 0 309.801 2.081 10 0 DEAERO [NH3+]CCC1CCN(c2nc3c(Br)cccn3n2)CC1 ZINC000094608479 193384433 /nfs/dbraw/zinc/38/44/33/193384433.db2.gz ZFKSYBVGMDXBLU-UHFFFAOYSA-N 1 0 324.226 2.057 10 0 DEAERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1nc2c(Br)cccn2n1 ZINC000094608845 193384468 /nfs/dbraw/zinc/38/44/68/193384468.db2.gz KFURUTCXYZVUBV-KOLCDFICSA-N 1 0 324.226 2.421 10 0 DEAERO C[C@@H]1CCC[C@H](C[NH3+])N1c1nc2ccc(Br)cn2n1 ZINC000094608374 193384526 /nfs/dbraw/zinc/38/45/26/193384526.db2.gz UDJDIOMNEPZKPP-MWLCHTKSSA-N 1 0 324.226 2.198 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2nc3ccc(Br)cn3n2)C1 ZINC000094608417 193384926 /nfs/dbraw/zinc/38/49/26/193384926.db2.gz SISOUMHHUPKCII-ZJUUUORDSA-N 1 0 324.226 2.055 10 0 DEAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])Cc1ccc(OC)nc1 ZINC000094632417 193385348 /nfs/dbraw/zinc/38/53/48/193385348.db2.gz NIKMDXAFSOZKMH-LBPRGKRZSA-N 1 0 308.813 2.381 10 0 DEAERO [NH3+]CCc1noc(-c2c(F)cc(Br)cc2F)n1 ZINC000094717453 193393583 /nfs/dbraw/zinc/39/35/83/193393583.db2.gz KUEHXZBTVXCCNW-UHFFFAOYSA-N 1 0 304.094 2.279 10 0 DEAERO Cc1cc(F)c([C@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)cc1F ZINC000094737220 193393618 /nfs/dbraw/zinc/39/36/18/193393618.db2.gz CURIWTNVYGWQKD-JTQLQIEISA-N 1 0 320.405 2.252 10 0 DEAERO CC(C)[NH2+]CCNC(=O)c1c(F)cc(Br)cc1F ZINC000094716957 193393969 /nfs/dbraw/zinc/39/39/69/193393969.db2.gz CXKKDCMCALJOFU-UHFFFAOYSA-N 1 0 321.165 2.455 10 0 DEAERO CC1(C[NH2+]CC(=O)Nc2ccccc2Br)COC1 ZINC000094722250 193394272 /nfs/dbraw/zinc/39/42/72/193394272.db2.gz AJYYIHKMAGFLJG-UHFFFAOYSA-N 1 0 313.195 2.014 10 0 DEAERO O=C1C[C@H]([NH2+]C2CCSCC2)CN1C1Cc2ccccc2C1 ZINC000011661688 181697388 /nfs/dbraw/zinc/69/73/88/181697388.db2.gz KYBAKWORCSNCEX-INIZCTEOSA-N 1 0 316.470 2.240 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000265407797 204589689 /nfs/dbraw/zinc/58/96/89/204589689.db2.gz LGFYBKIVPQTSSL-CYBMUJFWSA-N 1 0 320.824 2.176 10 0 DEAERO CCn1c(-c2cc(C)oc2C)nnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000282774445 217242027 /nfs/dbraw/zinc/24/20/27/217242027.db2.gz MCHPJRXFSBHTDC-AWEZNQCLSA-N 1 0 315.421 2.459 10 0 DEAERO C[NH2+][C@H](c1scnc1C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097313257 193707143 /nfs/dbraw/zinc/70/71/43/193707143.db2.gz SDDGTWAZUXNODX-WOPDTQHZSA-N 1 0 302.465 2.315 10 0 DEAERO CC1(C)C[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000161632101 197508341 /nfs/dbraw/zinc/50/83/41/197508341.db2.gz KLHLVBFJXOIPTR-INIZCTEOSA-N 1 0 323.481 2.461 10 0 DEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)NCc1ccccc1F ZINC000020189412 182195695 /nfs/dbraw/zinc/19/56/95/182195695.db2.gz DRMYSWCOZPABOL-UHFFFAOYSA-N 1 0 308.378 2.071 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1C(N)=S)[NH+]1CCC(C)CC1 ZINC000021809608 182292226 /nfs/dbraw/zinc/29/22/26/182292226.db2.gz IBNSUGRESMKWSP-GFCCVEGCSA-N 1 0 305.447 2.380 10 0 DEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000267441041 206069364 /nfs/dbraw/zinc/06/93/64/206069364.db2.gz PDSWPAJXBIVFLT-ULQDDVLXSA-N 1 0 304.434 2.467 10 0 DEAERO C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccccc1C[NH3+] ZINC000022154140 182311362 /nfs/dbraw/zinc/31/13/62/182311362.db2.gz PWRLOJQQHXCXRG-GFCCVEGCSA-N 1 0 302.399 2.285 10 0 DEAERO CC(C)[NH+]1CCC(CNC(=O)C(=O)Nc2ccccc2F)CC1 ZINC000022999111 182344303 /nfs/dbraw/zinc/34/43/03/182344303.db2.gz HRWQWOQOQYRRMD-UHFFFAOYSA-N 1 0 321.396 2.001 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000457778618 248007250 /nfs/dbraw/zinc/00/72/50/248007250.db2.gz DISIPBOGMMYCHS-UHFFFAOYSA-N 1 0 318.417 2.340 10 0 DEAERO O=C1C(C[NH2+]CCc2ccccc2)=CC2=CC=C[C@@H]3CCN1[C@@H]23 ZINC000039287464 183016741 /nfs/dbraw/zinc/01/67/41/183016741.db2.gz KLIANTXYBOVEAE-VQIMIIECSA-N 1 0 306.409 2.472 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000040632700 183111796 /nfs/dbraw/zinc/11/17/96/183111796.db2.gz CLTZUFLCIYQZQE-ONGXEEELSA-N 1 0 302.346 2.317 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000040635258 183112312 /nfs/dbraw/zinc/11/23/12/183112312.db2.gz JOQDBPYMMSXSNS-HUUCEWRRSA-N 1 0 308.809 2.208 10 0 DEAERO S=C1N=NC(N2CCC([NH+]3CCCCC3)CC2)N1C1CC1 ZINC000040694339 183119291 /nfs/dbraw/zinc/11/92/91/183119291.db2.gz NHEWHNZTAVDCAN-UHFFFAOYSA-N 1 0 307.467 2.356 10 0 DEAERO COC(=O)c1sccc1NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000040832906 183139131 /nfs/dbraw/zinc/13/91/31/183139131.db2.gz SNUNLUIFAKALNN-JFGNBEQYSA-N 1 0 308.403 2.394 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)C[C@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000040856317 183142610 /nfs/dbraw/zinc/14/26/10/183142610.db2.gz VGRGURHILLCJEH-ZETCQYMHSA-N 1 0 303.284 2.340 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000040858863 183143358 /nfs/dbraw/zinc/14/33/58/183143358.db2.gz DUSJSOHXMZELNL-PRHODGIISA-N 1 0 310.419 2.335 10 0 DEAERO C[N@@H+]1CCC[C@@H]1CCOc1ncc(Br)cc1N ZINC000040714002 183121577 /nfs/dbraw/zinc/12/15/77/183121577.db2.gz LFKNARPISPRWFN-SNVBAGLBSA-N 1 0 300.200 2.289 10 0 DEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(Cl)c1F ZINC000040749911 183128869 /nfs/dbraw/zinc/12/88/69/183128869.db2.gz OAMGXWWQVWVXEI-PBINXNQUSA-N 1 0 318.801 2.122 10 0 DEAERO CN(C)c1ccc(Br)cc1NC(=O)C(C)(C)[NH3+] ZINC000040922311 183149088 /nfs/dbraw/zinc/14/90/88/183149088.db2.gz LWOYYNZXWTXHDJ-UHFFFAOYSA-N 1 0 300.200 2.191 10 0 DEAERO CC(C)N(CC[NH3+])S(=O)(=O)c1ccccc1C(F)(F)F ZINC000041160465 183179130 /nfs/dbraw/zinc/17/91/30/183179130.db2.gz CHCXINBCSDWEFJ-UHFFFAOYSA-N 1 0 310.341 2.063 10 0 DEAERO COc1cccc(-c2cc(C(=O)NCC(C)(C)[NH+](C)C)no2)c1 ZINC000041111735 183166534 /nfs/dbraw/zinc/16/65/34/183166534.db2.gz QROSLIKQEVWDDG-UHFFFAOYSA-N 1 0 317.389 2.420 10 0 DEAERO Cn1ccnc1[C@H](NC(=O)CC[NH+](C)C)c1cccc(Cl)c1 ZINC000041536409 183199800 /nfs/dbraw/zinc/19/98/00/183199800.db2.gz CZOIXMAPZRUGIB-OAHLLOKOSA-N 1 0 320.824 2.231 10 0 DEAERO Cc1cc2c(n1[C@@]1(C)CCS(=O)(=O)C1)CC(C)(C)C[C@H]2[NH3+] ZINC000041735217 183218293 /nfs/dbraw/zinc/21/82/93/183218293.db2.gz WDOPWVRJWBZWHS-CJNGLKHVSA-N 1 0 310.463 2.302 10 0 DEAERO CCc1cccc(NC(=O)C(=O)NC[C@H](C)[NH+](CC)CC)c1 ZINC000041604688 183209518 /nfs/dbraw/zinc/20/95/18/183209518.db2.gz AKSGTDNVFWOXBM-ZDUSSCGKSA-N 1 0 305.422 2.034 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000042166609 183238311 /nfs/dbraw/zinc/23/83/11/183238311.db2.gz KRQVSIOMZMCUIL-NSHDSACASA-N 1 0 305.769 2.001 10 0 DEAERO CCOCCOC[C@H](O)C[NH2+][C@H](c1cccs1)C(C)C ZINC000042320358 183254356 /nfs/dbraw/zinc/25/43/56/183254356.db2.gz NGYVCMGWPZHEPO-HIFRSBDPSA-N 1 0 301.452 2.449 10 0 DEAERO CC(C)[NH2+]Cc1cccc(Br)c1O[C@@H](C)C(N)=O ZINC000042411852 183265986 /nfs/dbraw/zinc/26/59/86/183265986.db2.gz UZPRMZDQIGFZFS-VIFPVBQESA-N 1 0 315.211 2.200 10 0 DEAERO COCC[NH2+]CCN(C)Cc1ccccc1Br ZINC000042427891 183269122 /nfs/dbraw/zinc/26/91/22/183269122.db2.gz WCVCYQAJIFYXEX-UHFFFAOYSA-N 1 0 301.228 2.117 10 0 DEAERO CC(C)[N@H+](CCCO)[C@@H](C)C(=O)Nc1ccc(N)cc1Cl ZINC000042482887 183275345 /nfs/dbraw/zinc/27/53/45/183275345.db2.gz WZUKOEOTFJZENC-NSHDSACASA-N 1 0 313.829 2.342 10 0 DEAERO CC(C)[N@@H+](CC(=O)Nc1cccc(C(N)=S)c1)CC1CC1 ZINC000042583336 183286438 /nfs/dbraw/zinc/28/64/38/183286438.db2.gz QZMJTRLUVGETRP-UHFFFAOYSA-N 1 0 305.447 2.380 10 0 DEAERO CC(C)CN(C(C)C)S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000042592598 183289000 /nfs/dbraw/zinc/28/90/00/183289000.db2.gz XMTNFZXSDBNBAD-UHFFFAOYSA-N 1 0 310.463 2.387 10 0 DEAERO C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000042609409 183290536 /nfs/dbraw/zinc/29/05/36/183290536.db2.gz RXQDASQPQYSKKO-BBRMVZONSA-N 1 0 310.463 2.486 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CCN(C(C)=O)CC1 ZINC000043050953 183333142 /nfs/dbraw/zinc/33/31/42/183333142.db2.gz UQRKHNRFPPAVAE-HOTGVXAUSA-N 1 0 309.841 2.283 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CCN(c2nccs2)CC1 ZINC000042900903 183317607 /nfs/dbraw/zinc/31/76/07/183317607.db2.gz LZNFHDFWFLMWEV-HIFRSBDPSA-N 1 0 302.447 2.354 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(F)cc1 ZINC000042944069 183319740 /nfs/dbraw/zinc/31/97/40/183319740.db2.gz ILSFYVAMNTUNGK-ZWNOBZJWSA-N 1 0 308.382 2.062 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCS(=O)CC1 ZINC000043015660 183328034 /nfs/dbraw/zinc/32/80/34/183328034.db2.gz NBUFDNBGRTVMIK-KGLIPLIRSA-N 1 0 300.855 2.183 10 0 DEAERO CCCN(CCO)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043021219 183329833 /nfs/dbraw/zinc/32/98/33/183329833.db2.gz TZHOMOZTRHWJJC-CYBMUJFWSA-N 1 0 301.228 2.153 10 0 DEAERO Cc1ccccc1[C@H](C[NH3+])Oc1ccc(S(C)(=O)=O)cc1 ZINC000043040299 183332272 /nfs/dbraw/zinc/33/22/72/183332272.db2.gz UOUWCGJVRCBMOU-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO CCN(CC(F)(F)F)S(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000042782186 183308641 /nfs/dbraw/zinc/30/86/41/183308641.db2.gz XOAPXSBQHJRTRX-VIFPVBQESA-N 1 0 310.341 2.279 10 0 DEAERO CCC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CCOC)cc1 ZINC000042809003 183311023 /nfs/dbraw/zinc/31/10/23/183311023.db2.gz DQDRROUGPTTXAB-LBPRGKRZSA-N 1 0 300.424 2.135 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(CCO)C1CC1 ZINC000043093306 183336822 /nfs/dbraw/zinc/33/68/22/183336822.db2.gz DWMOPBJHIXHOCT-QMTHXVAHSA-N 1 0 313.239 2.294 10 0 DEAERO COCCCN(CCOC)[C@H](c1sccc1C)[C@@H](C)[NH3+] ZINC000043248715 183347123 /nfs/dbraw/zinc/34/71/23/183347123.db2.gz OPCVJQYYCOVBGA-KGLIPLIRSA-N 1 0 300.468 2.430 10 0 DEAERO CCCN(CC(=O)N(C)C)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043253750 183347659 /nfs/dbraw/zinc/34/76/59/183347659.db2.gz JMNCMYQSWLXWPH-JTQLQIEISA-N 1 0 303.859 2.202 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCS(=O)CC1 ZINC000043253570 183347826 /nfs/dbraw/zinc/34/78/26/183347826.db2.gz GLSFXWAZRITGFY-JOYOIKCWSA-N 1 0 306.884 2.244 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(CCO)C1CC1 ZINC000043287387 183351117 /nfs/dbraw/zinc/35/11/17/183351117.db2.gz YIWDVUJNEWFFES-PRHODGIISA-N 1 0 319.268 2.356 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1nnnn1-c1ccccc1)c1ccco1 ZINC000043338296 183355642 /nfs/dbraw/zinc/35/56/42/183355642.db2.gz ZQGUFSQDSRCYSR-ZWNOBZJWSA-N 1 0 301.375 2.436 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(S(C)(=O)=O)cc1)C(F)(F)F ZINC000043385213 183358222 /nfs/dbraw/zinc/35/82/22/183358222.db2.gz WJGSMWSWCUCONZ-GHMZBOCLSA-N 1 0 311.325 2.137 10 0 DEAERO [NH3+]C[C@@H](c1ccccc1Br)N1CCC(CO)CC1 ZINC000043091151 183335549 /nfs/dbraw/zinc/33/55/49/183335549.db2.gz LHIYLZYBDXJNTF-AWEZNQCLSA-N 1 0 313.239 2.153 10 0 DEAERO Ic1ccc(OC[C@H]2CCC[NH2+]2)cc1 ZINC000043496972 183367334 /nfs/dbraw/zinc/36/73/34/183367334.db2.gz GQJSRLBAIYUZDK-SNVBAGLBSA-N 1 0 303.143 2.422 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)c(F)c2)C1 ZINC000043581360 183373187 /nfs/dbraw/zinc/37/31/87/183373187.db2.gz TUPBRCSFAYJHTL-SECBINFHSA-N 1 0 301.159 2.022 10 0 DEAERO C[NH+](C)CC(C)(C)CNc1nc2c(cc1C(N)=S)CCC2 ZINC000043408295 183360012 /nfs/dbraw/zinc/36/00/12/183360012.db2.gz UKCBKIPGGLIRSP-UHFFFAOYSA-N 1 0 306.479 2.204 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1NC[C@H]1CCCC[NH2+]1 ZINC000044493486 183414047 /nfs/dbraw/zinc/41/40/47/183414047.db2.gz MLRBUFWWWNTCJI-SNVBAGLBSA-N 1 0 301.312 2.358 10 0 DEAERO NS(=O)(=O)CCC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000045070244 183479738 /nfs/dbraw/zinc/47/97/38/183479738.db2.gz ASYVNTJSGOSQEI-UHFFFAOYSA-N 1 0 310.444 2.183 10 0 DEAERO CC(C)(C)OCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000308511237 291691796 /nfs/dbraw/zinc/69/17/96/291691796.db2.gz GXXGUWJXTBWPKB-ZDUSSCGKSA-N 1 0 301.814 2.484 10 0 DEAERO CC[NH2+][C@](C)(CCCSc1nc2ccccc2[nH]1)C(N)=O ZINC000045559217 183515755 /nfs/dbraw/zinc/51/57/55/183515755.db2.gz NUZNIBGWSGMIRS-OAHLLOKOSA-N 1 0 306.435 2.289 10 0 DEAERO CC[NH2+][C@@](C)(CSc1ccccc1Br)C(N)=O ZINC000045552451 183515795 /nfs/dbraw/zinc/51/57/95/183515795.db2.gz SLBDHLJKZXIMTA-LBPRGKRZSA-N 1 0 317.252 2.395 10 0 DEAERO O=C1CCCN1CC[NH2+]Cc1ccsc1Br ZINC000405436403 291708639 /nfs/dbraw/zinc/70/86/39/291708639.db2.gz FSBMFVGBAHBZNH-UHFFFAOYSA-N 1 0 303.225 2.223 10 0 DEAERO CCOc1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2CO)cc1OCC ZINC000284639110 218112214 /nfs/dbraw/zinc/11/22/14/218112214.db2.gz UGSXEAVROIEVBR-LSDHHAIUSA-N 1 0 309.406 2.066 10 0 DEAERO Cc1cccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC000105164828 194080649 /nfs/dbraw/zinc/08/06/49/194080649.db2.gz XTTGAJJMYANBRH-MRXNPFEDSA-N 1 0 304.438 2.310 10 0 DEAERO COc1cccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC000105211663 194085519 /nfs/dbraw/zinc/08/55/19/194085519.db2.gz VJVFBKMICOWBOC-OAHLLOKOSA-N 1 0 320.437 2.010 10 0 DEAERO Cc1noc(CC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000105470372 194105267 /nfs/dbraw/zinc/10/52/67/194105267.db2.gz VBVFNESPQPONHO-UHFFFAOYSA-N 1 0 309.753 2.135 10 0 DEAERO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(C)nc1C ZINC000105379292 194101165 /nfs/dbraw/zinc/10/11/65/194101165.db2.gz XUVHOHGQIOHHGA-UHFFFAOYSA-N 1 0 307.438 2.129 10 0 DEAERO C[C@H]1CC(=O)N(C[C@H]([NH3+])c2cccc(C(F)(F)F)c2)C1=O ZINC000105677550 194119226 /nfs/dbraw/zinc/11/92/26/194119226.db2.gz AYWWYLZGZHJAAV-KWQFWETISA-N 1 0 300.280 2.100 10 0 DEAERO Cc1cccc(OCC[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000105798209 194130488 /nfs/dbraw/zinc/13/04/88/194130488.db2.gz XOXNQWHLVNJWDJ-UHFFFAOYSA-N 1 0 312.417 2.376 10 0 DEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805362 194133869 /nfs/dbraw/zinc/13/38/69/194133869.db2.gz ZCZQSUADSDHEDA-CYBMUJFWSA-N 1 0 319.453 2.046 10 0 DEAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1cn3ccccc3n1)CC2 ZINC000105873881 194153923 /nfs/dbraw/zinc/15/39/23/194153923.db2.gz YFQBWCBRDRTGAE-CYBMUJFWSA-N 1 0 310.405 2.154 10 0 DEAERO COc1ccc(OCC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000105882795 194156342 /nfs/dbraw/zinc/15/63/42/194156342.db2.gz IORPVULCQQZCTE-OAHLLOKOSA-N 1 0 316.405 2.078 10 0 DEAERO CC[C@@H]1CN(Cc2cc(-c3ccco3)on2)CC[N@@H+]1CCOC ZINC000106115284 194188408 /nfs/dbraw/zinc/18/84/08/194188408.db2.gz YTKMPDIXYUSRPT-OAHLLOKOSA-N 1 0 319.405 2.477 10 0 DEAERO CC1(C)Cc2cc(C[NH2+]C[C@@H]3CN(C4CC4)CCO3)ccc2O1 ZINC000106379595 194204769 /nfs/dbraw/zinc/20/47/69/194204769.db2.gz PDLJGFAOBSIXDX-QGZVFWFLSA-N 1 0 316.445 2.353 10 0 DEAERO Cc1ccnc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000285051852 218272272 /nfs/dbraw/zinc/27/22/72/218272272.db2.gz WQMAVPGHUJZVHV-DZGCQCFKSA-N 1 0 300.410 2.014 10 0 DEAERO CC(C)(C)[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCOC2)C(N)=O ZINC000106445429 194214735 /nfs/dbraw/zinc/21/47/35/194214735.db2.gz XZIKNQSCNVSSJV-ZDUSSCGKSA-N 1 0 312.797 2.196 10 0 DEAERO CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000049122520 183714300 /nfs/dbraw/zinc/71/43/00/183714300.db2.gz ACVCQDZPPAUGMG-CABCVRRESA-N 1 0 302.484 2.264 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(OCC(=O)NCC(F)(F)F)cc1 ZINC000049309596 183724973 /nfs/dbraw/zinc/72/49/73/183724973.db2.gz UGOTWWZKXWNQGA-SNVBAGLBSA-N 1 0 304.312 2.414 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@H]1CCc2cc(F)ccc21 ZINC000533811726 284808009 /nfs/dbraw/zinc/80/80/09/284808009.db2.gz ICMNCSSBKSZTSM-INIZCTEOSA-N 1 0 314.364 2.041 10 0 DEAERO CC(C)[C@@H](NS(=O)(=O)C[C@H]1CCC[NH2+]1)c1cccs1 ZINC000049646448 183752453 /nfs/dbraw/zinc/75/24/53/183752453.db2.gz GDCTZNVZSSYBKG-DGCLKSJQSA-N 1 0 302.465 2.117 10 0 DEAERO C[NH+](C)CCCNC(=O)c1nnc(-c2cccc(Cl)c2)o1 ZINC000049684083 183753885 /nfs/dbraw/zinc/75/38/85/183753885.db2.gz JMDOXCZTGBYZMD-UHFFFAOYSA-N 1 0 308.769 2.072 10 0 DEAERO Cc1cc(C)cc(N(C)S(=O)(=O)CCC2CC[NH2+]CC2)c1 ZINC000049973158 183766505 /nfs/dbraw/zinc/76/65/05/183766505.db2.gz YUQIXGMVXJVCIU-UHFFFAOYSA-N 1 0 310.463 2.459 10 0 DEAERO COc1ccc(-c2csc(CN3CC[NH2+]CC3)n2)cc1F ZINC000049917337 183762625 /nfs/dbraw/zinc/76/26/25/183762625.db2.gz IQSWSUDVSUUVLX-UHFFFAOYSA-N 1 0 307.394 2.363 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(C)s1 ZINC000050163418 183775602 /nfs/dbraw/zinc/77/56/02/183775602.db2.gz WLOUCQMZIMGNKK-ZYHUDNBSSA-N 1 0 302.465 2.031 10 0 DEAERO O=C(c1ncncc1Cl)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000176157700 296307135 /nfs/dbraw/zinc/30/71/35/296307135.db2.gz WGMRMEBVMGEDKW-GFCCVEGCSA-N 1 0 308.813 2.221 10 0 DEAERO CCNc1ncc(C(=O)N[C@H](C)C[NH+]2CCCC2)cc1Cl ZINC000050787871 183804050 /nfs/dbraw/zinc/80/40/50/183804050.db2.gz OLYHXHNCLFNFMR-LLVKDONJSA-N 1 0 310.829 2.381 10 0 DEAERO CCn1nc(C)c(-c2csc(CN3CC[NH2+]CC3)n2)c1C ZINC000109432517 194262070 /nfs/dbraw/zinc/26/20/70/194262070.db2.gz OKFCALZBXYNOPF-UHFFFAOYSA-N 1 0 305.451 2.049 10 0 DEAERO O=C(C[NH2+][C@H]1CCCOC1)Nc1ccc(Br)cc1 ZINC000109546810 194272938 /nfs/dbraw/zinc/27/29/38/194272938.db2.gz QNMGCPLMSTWSBF-LBPRGKRZSA-N 1 0 313.195 2.156 10 0 DEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000109470285 194267423 /nfs/dbraw/zinc/26/74/23/194267423.db2.gz ZFOXXQPHBJGPML-HNNXBMFYSA-N 1 0 309.454 2.398 10 0 DEAERO O=C(COc1cccc(Cl)c1)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051357993 183824945 /nfs/dbraw/zinc/82/49/45/183824945.db2.gz VHWSBSDGIDYYHF-CABCVRRESA-N 1 0 308.809 2.462 10 0 DEAERO CCC(CC)(CO)[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000053070662 183885608 /nfs/dbraw/zinc/88/56/08/183885608.db2.gz AXUMKDWGJLDJGI-OAHLLOKOSA-N 1 0 315.841 2.358 10 0 DEAERO COCC[N@H+](C)CCn1c2cc(OC)c(F)cc2[nH]c1=S ZINC000110629076 194344093 /nfs/dbraw/zinc/34/40/93/194344093.db2.gz DGHPCCBLHRRJHC-UHFFFAOYSA-N 1 0 313.398 2.051 10 0 DEAERO Brc1cnc(O[C@H]2CCOC2)c(C[NH2+]C2CC2)c1 ZINC000110532517 194337426 /nfs/dbraw/zinc/33/74/26/194337426.db2.gz BXXYYWGPWQXOHH-LBPRGKRZSA-N 1 0 313.195 2.264 10 0 DEAERO CC[NH2+]CCCn1cnc2ccc(Br)cc2c1=O ZINC000053530109 183905953 /nfs/dbraw/zinc/90/59/53/183905953.db2.gz QIYBNKGLIPJCRF-UHFFFAOYSA-N 1 0 310.195 2.159 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000110648229 194345563 /nfs/dbraw/zinc/34/55/63/194345563.db2.gz GKKFXGKBICJNBH-LLVKDONJSA-N 1 0 316.854 2.396 10 0 DEAERO CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)CN1CCS(=O)CC1 ZINC000053940998 183916849 /nfs/dbraw/zinc/91/68/49/183916849.db2.gz ZYZHQLRAIHQRON-DOTOQJQBSA-N 1 0 308.491 2.428 10 0 DEAERO O=S(=O)(c1ccccc1NCC[C@@H]1CCC[NH2+]C1)C(F)F ZINC000110793615 194359675 /nfs/dbraw/zinc/35/96/75/194359675.db2.gz IVDOTVBBFBRGHM-NSHDSACASA-N 1 0 318.389 2.485 10 0 DEAERO CN(C(=O)c1cc(F)cc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000110926825 194370455 /nfs/dbraw/zinc/37/04/55/194370455.db2.gz PKUGCXWRZLQOAS-LBPRGKRZSA-N 1 0 315.186 2.412 10 0 DEAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000110942430 194371985 /nfs/dbraw/zinc/37/19/85/194371985.db2.gz GNKNHUFPHVPKFW-ZDUSSCGKSA-N 1 0 318.389 2.118 10 0 DEAERO CCN(CC(=O)Nc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110943972 194372434 /nfs/dbraw/zinc/37/24/34/194372434.db2.gz IYUJQRPBICZYMQ-GFCCVEGCSA-N 1 0 313.804 2.492 10 0 DEAERO CCC[NH2+][C@H](c1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000111037646 194386572 /nfs/dbraw/zinc/38/65/72/194386572.db2.gz GDJSXROCKVKNDR-YGRLFVJLSA-N 1 0 303.374 2.440 10 0 DEAERO CN(CC[NH+](C)C)CC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000111129414 194393654 /nfs/dbraw/zinc/39/36/54/194393654.db2.gz QSCLHWVYBHJZLX-UHFFFAOYSA-N 1 0 319.236 2.008 10 0 DEAERO CN(CC[NH+](C)C)c1ccc(C(F)(F)F)cc1C(N)=S ZINC000111138991 194393959 /nfs/dbraw/zinc/39/39/59/194393959.db2.gz AVZVYXDKMAQSBM-UHFFFAOYSA-N 1 0 305.369 2.337 10 0 DEAERO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1N)C[C@@H]1CCCOC1 ZINC000111154203 194396448 /nfs/dbraw/zinc/39/64/48/194396448.db2.gz UJHYPEXPRLKIAW-NSHDSACASA-N 1 0 311.813 2.219 10 0 DEAERO CN(C[C@H]1CCCOC1)c1ncc(Br)cc1C[NH3+] ZINC000111173935 194398693 /nfs/dbraw/zinc/39/86/93/194398693.db2.gz OXYXSYAQRNEYEH-SNVBAGLBSA-N 1 0 314.227 2.166 10 0 DEAERO CN1CC[C@@H](CNC(=O)NC2CC[NH+](C)CC2)c2ccccc21 ZINC000057336324 184033634 /nfs/dbraw/zinc/03/36/34/184033634.db2.gz GRTVJHCJZWQKGF-AWEZNQCLSA-N 1 0 316.449 2.004 10 0 DEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](C)CCOC(C)C)C(=O)OC ZINC000157519368 197192534 /nfs/dbraw/zinc/19/25/34/197192534.db2.gz LYSJRTPJOGAICI-GDBMZVCRSA-N 1 0 302.459 2.053 10 0 DEAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000221799024 284886159 /nfs/dbraw/zinc/88/61/59/284886159.db2.gz JPXMLTJMHFNHMK-CHWSQXEVSA-N 1 0 309.207 2.305 10 0 DEAERO Cc1ccccc1CCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000057987916 184065017 /nfs/dbraw/zinc/06/50/17/184065017.db2.gz IVBZQTYQUVKVBU-UHFFFAOYSA-N 1 0 301.434 2.417 10 0 DEAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000058525364 184121431 /nfs/dbraw/zinc/12/14/31/184121431.db2.gz UCNJVCDIROLOGN-INIZCTEOSA-N 1 0 302.418 2.323 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000061270080 184167221 /nfs/dbraw/zinc/16/72/21/184167221.db2.gz UQWYKTDYIWFBAW-SNVBAGLBSA-N 1 0 311.813 2.368 10 0 DEAERO CC[NH2+]CCC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000061291548 184167666 /nfs/dbraw/zinc/16/76/66/184167666.db2.gz LTBGEZMVYHXKOW-NSHDSACASA-N 1 0 313.239 2.496 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000061292911 184167920 /nfs/dbraw/zinc/16/79/20/184167920.db2.gz KKPJQIODXMXSES-UHFFFAOYSA-N 1 0 300.305 2.078 10 0 DEAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1csc(Br)c1 ZINC000061318924 184168071 /nfs/dbraw/zinc/16/80/71/184168071.db2.gz NPYQLBAOZFOIDY-UHFFFAOYSA-N 1 0 305.241 2.467 10 0 DEAERO C[NH2+]C(C)(C)C(=O)NCc1cc(Br)ccc1F ZINC000061318769 184168190 /nfs/dbraw/zinc/16/81/90/184168190.db2.gz DFPWRTZMGUXIOR-UHFFFAOYSA-N 1 0 303.175 2.202 10 0 DEAERO CC[NH2+][C@@H](CC)c1nnc(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000061512217 184172037 /nfs/dbraw/zinc/17/20/37/184172037.db2.gz YWHQKYLSZVRHBH-LBPRGKRZSA-N 1 0 309.391 2.201 10 0 DEAERO CC[NH2+][C@H](CS(C)(=O)=O)c1cccc(OC(F)(F)F)c1 ZINC000061703724 184184387 /nfs/dbraw/zinc/18/43/87/184184387.db2.gz LTWMXIFJTQWRMC-LLVKDONJSA-N 1 0 311.325 2.280 10 0 DEAERO Cc1nc(-c2ccc(CNC(=O)NCC[NH+](C)C)cc2)cs1 ZINC000535660370 284902744 /nfs/dbraw/zinc/90/27/44/284902744.db2.gz BDACYOBAEDLBRG-UHFFFAOYSA-N 1 0 318.446 2.479 10 0 DEAERO C[NH2+]C[C@@H](CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000061817197 184188346 /nfs/dbraw/zinc/18/83/46/184188346.db2.gz MPSJEWOFYULQCC-CABCVRRESA-N 1 0 311.447 2.116 10 0 DEAERO Fc1ccc(-c2noc(CN3CCC[NH2+]CC3)n2)c(Cl)c1 ZINC000061845144 184189727 /nfs/dbraw/zinc/18/97/27/184189727.db2.gz VKCVACGURHACIL-UHFFFAOYSA-N 1 0 310.760 2.324 10 0 DEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941236 184197520 /nfs/dbraw/zinc/19/75/20/184197520.db2.gz FPVMVBLUPYDCFU-IHRRRGAJSA-N 1 0 307.404 2.333 10 0 DEAERO [NH3+][C@H]1CCCc2nc(N3CCN(CC(F)(F)F)CC3)sc21 ZINC000061948535 184197782 /nfs/dbraw/zinc/19/77/82/184197782.db2.gz SLFWDXSLBPKXKR-VIFPVBQESA-N 1 0 320.384 2.164 10 0 DEAERO CC(C)C[NH2+]CC(C)(C)CN1CCN(CC(F)(F)F)CC1 ZINC000061947618 184198169 /nfs/dbraw/zinc/19/81/69/184198169.db2.gz HDAVCWAVJXSPLG-UHFFFAOYSA-N 1 0 309.420 2.438 10 0 DEAERO CN(c1cccc(C[NH3+])c1)S(=O)(=O)c1cc(F)ccc1F ZINC000061950491 184198459 /nfs/dbraw/zinc/19/84/59/184198459.db2.gz NHMPDGAEVKPGIT-UHFFFAOYSA-N 1 0 312.341 2.249 10 0 DEAERO C[N@@H+]1CC[C@H](Nc2ccc(I)cc2)C1 ZINC000061984925 184199897 /nfs/dbraw/zinc/19/98/97/184199897.db2.gz FUHAHKUGMJQXOO-NSHDSACASA-N 1 0 302.159 2.407 10 0 DEAERO C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014404 184200994 /nfs/dbraw/zinc/20/09/94/184200994.db2.gz FXQHRAWUVCPMFK-CYBMUJFWSA-N 1 0 309.841 2.155 10 0 DEAERO CCC[C@@H](C(N)=S)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062034496 184202310 /nfs/dbraw/zinc/20/23/10/184202310.db2.gz JRGOPNKVOAPXDX-AWEZNQCLSA-N 1 0 311.495 2.023 10 0 DEAERO CC(C)Oc1nc(Cl)nc(NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000062076727 184204261 /nfs/dbraw/zinc/20/42/61/184204261.db2.gz GAFXKMOPGKMJOM-NSHDSACASA-N 1 0 313.833 2.456 10 0 DEAERO COc1cc(C[NH2+]CC(=O)Nc2ccccc2Cl)ccn1 ZINC000062070391 184204548 /nfs/dbraw/zinc/20/45/48/184204548.db2.gz RZBQODYFEKRGIB-UHFFFAOYSA-N 1 0 305.765 2.472 10 0 DEAERO O=C(Nc1c(F)cc(F)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000062112677 184206390 /nfs/dbraw/zinc/20/63/90/184206390.db2.gz CCSZFCRSPUWHHE-ZCFIWIBFSA-N 1 0 305.122 2.275 10 0 DEAERO COC(=O)CC[C@H]([NH3+])Cc1cc(Br)ccc1F ZINC000061893052 184192887 /nfs/dbraw/zinc/19/28/87/184192887.db2.gz STLHQFYBEIYDTK-JTQLQIEISA-N 1 0 304.159 2.411 10 0 DEAERO COCCN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(Cl)cc1Cl ZINC000062210253 184220734 /nfs/dbraw/zinc/22/07/34/184220734.db2.gz SYVQMSYSVBMYKP-DGCLKSJQSA-N 1 0 303.189 2.241 10 0 DEAERO CCCc1nc(N2CCn3ccnc3C2)sc1C[NH2+]CC ZINC000062328064 184230847 /nfs/dbraw/zinc/23/08/47/184230847.db2.gz HQPCXODVQKKNCH-UHFFFAOYSA-N 1 0 305.451 2.422 10 0 DEAERO CC[NH2+][C@@H]1CCCc2nc(N(C)Cc3nccn3C)sc21 ZINC000062327834 184230920 /nfs/dbraw/zinc/23/09/20/184230920.db2.gz ICYBFMBBQXAQEO-LLVKDONJSA-N 1 0 305.451 2.500 10 0 DEAERO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1O[C@H](C)C(N)=O ZINC000062727829 184250445 /nfs/dbraw/zinc/25/04/45/184250445.db2.gz CFOGUTKKOSWWGC-SNVBAGLBSA-N 1 0 314.813 2.347 10 0 DEAERO CC(C)(C)[NH2+]Cc1c(N2CCC[C@@H](O)C2)nc2sccn12 ZINC000062737123 184251186 /nfs/dbraw/zinc/25/11/86/184251186.db2.gz FTAXPYTWLAHVJY-LLVKDONJSA-N 1 0 308.451 2.245 10 0 DEAERO COCC[NH2+]Cc1c(N(C)CC(F)(F)F)nc2sccn12 ZINC000062736381 184251334 /nfs/dbraw/zinc/25/13/34/184251334.db2.gz BDEMQSFEHRZVQX-UHFFFAOYSA-N 1 0 322.356 2.130 10 0 DEAERO CCC1(C)CCN(S(=O)(=O)c2ccc(CC[NH3+])s2)CC1 ZINC000062960046 184262482 /nfs/dbraw/zinc/26/24/82/184262482.db2.gz HHCDAANGNGYODW-UHFFFAOYSA-N 1 0 316.492 2.450 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])s1 ZINC000063194433 184277708 /nfs/dbraw/zinc/27/77/08/184277708.db2.gz JUEPEYXXKKLXRQ-ZYHUDNBSSA-N 1 0 302.465 2.201 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1F ZINC000063213658 184279041 /nfs/dbraw/zinc/27/90/41/184279041.db2.gz ABXIMJXUVKVXSM-GHMZBOCLSA-N 1 0 320.817 2.417 10 0 DEAERO CCCNc1ccc(Cl)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000062984767 184264754 /nfs/dbraw/zinc/26/47/54/184264754.db2.gz VMONGLIDTRGKGK-LLVKDONJSA-N 1 0 310.829 2.333 10 0 DEAERO C[C@H]([NH3+])Cc1cc(Cl)ccc1OCCCS(C)(=O)=O ZINC000063017547 184266817 /nfs/dbraw/zinc/26/68/17/184266817.db2.gz HABBINJPWCKGRT-JTQLQIEISA-N 1 0 305.827 2.043 10 0 DEAERO C[C@]([NH3+])(CCCS(C)(=O)=O)c1ccc(Br)cc1 ZINC000063016353 184266940 /nfs/dbraw/zinc/26/69/40/184266940.db2.gz APCOFIUHQGZUSQ-LBPRGKRZSA-N 1 0 320.252 2.448 10 0 DEAERO CC[NH2+]C[C@H](CCCS(C)(=O)=O)Cc1cccc(F)c1 ZINC000063018261 184267196 /nfs/dbraw/zinc/26/71/96/184267196.db2.gz FPOIHFUHAWLXAH-CQSZACIVSA-N 1 0 301.427 2.419 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1cc(F)cc(Br)c1 ZINC000063172452 184276034 /nfs/dbraw/zinc/27/60/34/184276034.db2.gz IRTCALOALQERSV-QWRGUYRKSA-N 1 0 301.159 2.198 10 0 DEAERO CCCCCC(=O)Nc1cccc(NC(=O)C[NH2+]CCOC)c1 ZINC000066224619 184398023 /nfs/dbraw/zinc/39/80/23/184398023.db2.gz MVTJONUEMJEZOO-UHFFFAOYSA-N 1 0 321.421 2.380 10 0 DEAERO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCC(=O)N(C)CC ZINC000184021326 207364762 /nfs/dbraw/zinc/36/47/62/207364762.db2.gz HKTFVKPTRQAIPJ-MRXNPFEDSA-N 1 0 303.450 2.456 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cn2c(cccc2C)n1 ZINC000069401670 184512267 /nfs/dbraw/zinc/51/22/67/184512267.db2.gz CQPRZRBAUZMFSO-AWEZNQCLSA-N 1 0 317.437 2.172 10 0 DEAERO COC(=O)CCOc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000069319006 184506890 /nfs/dbraw/zinc/50/68/90/184506890.db2.gz INMFQOQGSGZUED-VIFPVBQESA-N 1 0 316.195 2.281 10 0 DEAERO COC[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000537675508 285010944 /nfs/dbraw/zinc/01/09/44/285010944.db2.gz NIVAZAUEZWRFFY-NVXWUHKLSA-N 1 0 319.449 2.404 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cnn(C)c1 ZINC000119968150 195071313 /nfs/dbraw/zinc/07/13/13/195071313.db2.gz WQEGHWMUNACSAU-AAEUAGOBSA-N 1 0 305.813 2.398 10 0 DEAERO CN1CCC[C@@H](N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000538712660 285052116 /nfs/dbraw/zinc/05/21/16/285052116.db2.gz KQAYYIBTWLQRNY-IAGOWNOFSA-N 1 0 307.482 2.195 10 0 DEAERO CCC[C@H](C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1)[NH+](C)C ZINC000120064176 195090345 /nfs/dbraw/zinc/09/03/45/195090345.db2.gz AQWXWNZBMSFUIF-SWLSCSKDSA-N 1 0 321.421 2.329 10 0 DEAERO C[NH2+]Cc1ccc(Cl)c(S(=O)(=O)NC2(C)CCC2)c1 ZINC000159263048 197341342 /nfs/dbraw/zinc/34/13/42/197341342.db2.gz WGFFYUPCMRJHQC-UHFFFAOYSA-N 1 0 302.827 2.280 10 0 DEAERO CCc1nn(C)c(Cl)c1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000159219319 197337451 /nfs/dbraw/zinc/33/74/51/197337451.db2.gz NCBQJQRQZCZWLB-LLVKDONJSA-N 1 0 314.861 2.342 10 0 DEAERO COCCOCCCC[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000159121901 197329403 /nfs/dbraw/zinc/32/94/03/197329403.db2.gz HHQRMZARWISGLJ-LSDHHAIUSA-N 1 0 303.468 2.074 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2C)cc(C[NH2+]C(C)C)c1F ZINC000159110341 197328508 /nfs/dbraw/zinc/32/85/08/197328508.db2.gz SLRIBBTYAVBLIC-QMTHXVAHSA-N 1 0 314.426 2.319 10 0 DEAERO Cc1cc(S(=O)(=O)NC(C)(C)C)cc(C[NH2+]C2CC2)c1F ZINC000159078946 197325224 /nfs/dbraw/zinc/32/52/24/197325224.db2.gz RBNFCHCGALKLMN-UHFFFAOYSA-N 1 0 314.426 2.463 10 0 DEAERO CCN(C(C)C)S(=O)(=O)c1cc(C)c(F)c(C[NH2+]C)c1 ZINC000159061840 197323918 /nfs/dbraw/zinc/32/39/18/197323918.db2.gz UTJLNJHOAOUZIV-UHFFFAOYSA-N 1 0 302.415 2.273 10 0 DEAERO NNc1nc(Nc2c(F)c(F)c(F)c(F)c2F)c(F)c[nH+]1 ZINC000159057582 197322665 /nfs/dbraw/zinc/32/26/65/197322665.db2.gz MBUFVFFETOBRRI-UHFFFAOYSA-N 1 0 309.173 2.340 10 0 DEAERO CC(=O)c1ccc(OCCCC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000540516856 285119467 /nfs/dbraw/zinc/11/94/67/285119467.db2.gz ZAXYPJJXURIDLB-UHFFFAOYSA-N 1 0 320.433 2.458 10 0 DEAERO COc1ccc(OCCCC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000540518335 285119916 /nfs/dbraw/zinc/11/99/16/285119916.db2.gz WWIYJLZYIZIDRC-UHFFFAOYSA-N 1 0 308.422 2.264 10 0 DEAERO COCC[NH2+]Cc1ccc(-n2cc(C(F)(F)F)cn2)nc1 ZINC000158355917 197265454 /nfs/dbraw/zinc/26/54/54/197265454.db2.gz JYIIXQYUWJNWLS-UHFFFAOYSA-N 1 0 300.284 2.022 10 0 DEAERO Nc1cccc(CCC[NH+]2CCN(c3nccs3)CC2)c1 ZINC000158194210 197252499 /nfs/dbraw/zinc/25/24/99/197252499.db2.gz GYBHPAJMEVECLQ-UHFFFAOYSA-N 1 0 302.447 2.480 10 0 DEAERO CC[C@@H]1CN(C(=O)c2cc(NN)[nH+]c(C(C)C)c2)CCS1 ZINC000158091779 197242879 /nfs/dbraw/zinc/24/28/79/197242879.db2.gz CSYSXZMPTJYPNM-GFCCVEGCSA-N 1 0 308.451 2.458 10 0 DEAERO COCc1cc([C@@H](C)[NH2+]C2CCS(=O)CC2)ccc1OC ZINC000158014133 197236168 /nfs/dbraw/zinc/23/61/68/197236168.db2.gz OFMWMTUVDKSDJS-XTXYDCKCSA-N 1 0 311.447 2.403 10 0 DEAERO CC(C)OCCN(C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000157828263 197219092 /nfs/dbraw/zinc/21/90/92/197219092.db2.gz FEFYQILNXINCII-JTQLQIEISA-N 1 0 305.216 2.399 10 0 DEAERO CCCn1nccc1NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000120301348 195138781 /nfs/dbraw/zinc/13/87/81/195138781.db2.gz OJCBPOFNVMASIU-KBPBESRZSA-N 1 0 307.442 2.487 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(CCOC)CC(C)C)CC1 ZINC000157765719 197214148 /nfs/dbraw/zinc/21/41/48/197214148.db2.gz UWHOWWKCNSLSKW-UHFFFAOYSA-N 1 0 313.486 2.422 10 0 DEAERO CCn1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)ccc1=O ZINC000120308587 195140609 /nfs/dbraw/zinc/14/06/09/195140609.db2.gz NDECBWQAAGMYKZ-ZFWWWQNUSA-N 1 0 320.437 2.062 10 0 DEAERO C[C@@](F)(Cc1cncc(Br)c1)C[C@@H]1COCC[NH2+]1 ZINC000157668543 197206871 /nfs/dbraw/zinc/20/68/71/197206871.db2.gz BCKRHLCLXSHDOM-CHWSQXEVSA-N 1 0 317.202 2.493 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(OC)c(F)c1)C(C)(C)S(C)(=O)=O ZINC000157290667 197176968 /nfs/dbraw/zinc/17/69/68/197176968.db2.gz MUSFHJCZPJHEBJ-AWEZNQCLSA-N 1 0 317.426 2.178 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1c[nH]c2ncccc12 ZINC000157123427 197163626 /nfs/dbraw/zinc/16/36/26/197163626.db2.gz RBQXTQHJGQWJSK-AWEZNQCLSA-N 1 0 302.422 2.198 10 0 DEAERO C[C@](O)(Cc1ccc(Br)cc1)C[C@H]1COCC[NH2+]1 ZINC000156909715 197149148 /nfs/dbraw/zinc/14/91/48/197149148.db2.gz ZHXGFDPHHCLFOX-KBPBESRZSA-N 1 0 314.223 2.121 10 0 DEAERO C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)[C@@H]1C[NH3+] ZINC000070177337 296398398 /nfs/dbraw/zinc/39/83/98/296398398.db2.gz DRTGQCNPQXTKJK-BXKDBHETSA-N 1 0 320.817 2.227 10 0 DEAERO CCC[C@H](C(=O)NCc1ccc(OCCOC)cc1)[NH+](C)C ZINC000156891578 197148102 /nfs/dbraw/zinc/14/81/02/197148102.db2.gz VFMWIAMCYKBOQB-MRXNPFEDSA-N 1 0 308.422 2.058 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1CNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000156697966 197133934 /nfs/dbraw/zinc/13/39/34/197133934.db2.gz BUXKMHHYFIFWAO-ZYHUDNBSSA-N 1 0 302.296 2.442 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)c1ccnc(C)n1 ZINC000156574987 197124815 /nfs/dbraw/zinc/12/48/15/197124815.db2.gz QAAXITDEDRBWLO-NSHDSACASA-N 1 0 324.226 2.093 10 0 DEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)NC[C@H]2CCCCS2)c1 ZINC000156468994 197115636 /nfs/dbraw/zinc/11/56/36/197115636.db2.gz PVKLESURKRKQIB-DGCLKSJQSA-N 1 0 314.476 2.270 10 0 DEAERO CCCS(=O)(=O)c1ccccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156364369 197107573 /nfs/dbraw/zinc/10/75/73/197107573.db2.gz VRRDKAUEVBJMOV-KGLIPLIRSA-N 1 0 308.447 2.201 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000156283044 197101386 /nfs/dbraw/zinc/10/13/86/197101386.db2.gz NYYIPMOXPDLEPX-RYUDHWBXSA-N 1 0 310.442 2.252 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccccc1S(=O)(=O)C(F)(F)F ZINC000156241439 197098141 /nfs/dbraw/zinc/09/81/41/197098141.db2.gz CNEKEJIKJMVGGO-NXEZZACHSA-N 1 0 322.352 2.296 10 0 DEAERO [NH3+]Cc1ccc([C@@H](O)C[S@@](=O)c2cc(F)ccc2F)cc1 ZINC000156006797 197079897 /nfs/dbraw/zinc/07/98/97/197079897.db2.gz KUPXKXFVHRUHCP-QKKBWIMNSA-N 1 0 311.353 2.265 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1cccc(F)c1Br ZINC000155985349 197078365 /nfs/dbraw/zinc/07/83/65/197078365.db2.gz BDVKHUMDRIKLJB-VHSXEESVSA-N 1 0 301.159 2.198 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCOC1CCCC1 ZINC000155528724 197063491 /nfs/dbraw/zinc/06/34/91/197063491.db2.gz AHNVFNNFFUINIQ-OAHLLOKOSA-N 1 0 311.470 2.365 10 0 DEAERO COc1cc(CCC(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc(OC)c1 ZINC000155341015 197046560 /nfs/dbraw/zinc/04/65/60/197046560.db2.gz NBPJKPIKRUYOJI-ZIAGYGMSSA-N 1 0 320.433 2.187 10 0 DEAERO CCOc1cccnc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000155206450 197032288 /nfs/dbraw/zinc/03/22/88/197032288.db2.gz FEWXSBKLIYMUGM-KBPBESRZSA-N 1 0 303.406 2.037 10 0 DEAERO C[S@](=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000155131606 197025740 /nfs/dbraw/zinc/02/57/40/197025740.db2.gz NIDRPNHOMOGSIC-KSFYIVLOSA-N 1 0 314.410 2.077 10 0 DEAERO CCCCn1cc(CNC(=O)N(C)CCC[NH+](C)C)c(C)n1 ZINC000542761587 285247429 /nfs/dbraw/zinc/24/74/29/285247429.db2.gz PCCRARSQBDHJDS-UHFFFAOYSA-N 1 0 309.458 2.085 10 0 DEAERO CC(C)[C@@H](O)CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000153568753 196888571 /nfs/dbraw/zinc/88/85/71/196888571.db2.gz OTICNMGXUVGEJM-OAGGEKHMSA-N 1 0 313.486 2.061 10 0 DEAERO CCc1nnc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)s1 ZINC000120404433 195159479 /nfs/dbraw/zinc/15/94/79/195159479.db2.gz YYPGNOIIZOYQBN-QWRGUYRKSA-N 1 0 311.455 2.295 10 0 DEAERO CC[C@H](C)C[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000120593605 195197788 /nfs/dbraw/zinc/19/77/88/195197788.db2.gz COPQHNAUIJJITR-IRXDYDNUSA-N 1 0 306.450 2.090 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cnc3ccc(C)cn23)C[C@@H]1C ZINC000120906927 195261941 /nfs/dbraw/zinc/26/19/41/195261941.db2.gz LYWCJANRFROUIX-INIZCTEOSA-N 1 0 316.449 2.185 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000543612349 285299015 /nfs/dbraw/zinc/29/90/15/285299015.db2.gz APFGLMXGHWHOBY-UHFFFAOYSA-N 1 0 315.421 2.347 10 0 DEAERO C[C@H]([NH2+]CCc1cn[nH]c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000289612223 221102696 /nfs/dbraw/zinc/10/26/96/221102696.db2.gz DDTDENZWARNHHN-GXTWGEPZSA-N 1 0 308.426 2.187 10 0 DEAERO C[C@H]1C[C@H]1c1ccc(CNC(=O)NCCNc2cc[nH+]cc2)o1 ZINC000560752824 291946268 /nfs/dbraw/zinc/94/62/68/291946268.db2.gz PVLSWUAFRSYZSL-SWLSCSKDSA-N 1 0 314.389 2.131 10 0 DEAERO Cc1ccc(C(=O)N2Cc3ccnn3[C@@H](CC[NH+](C)C)C2)s1 ZINC000248119065 257109854 /nfs/dbraw/zinc/10/98/54/257109854.db2.gz MOYJCQNJIFLGNW-AWEZNQCLSA-N 1 0 318.446 2.402 10 0 DEAERO Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CC[N@@H+]3Cc2ccco2)n1 ZINC000247882404 257115520 /nfs/dbraw/zinc/11/55/20/257115520.db2.gz RKFGLKLTYGNMKN-IAGOWNOFSA-N 1 0 311.385 2.358 10 0 DEAERO O=C(c1ccsc1)N1CC[C@@H]2CO[C@@H](C[NH+]3CCCC3)[C@@H]2C1 ZINC000247871084 257115549 /nfs/dbraw/zinc/11/55/49/257115549.db2.gz QVNWBPZJQPWOGH-BMFZPTHFSA-N 1 0 320.458 2.321 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2cc(O)cc(O)c2)cc1 ZINC000028652134 257129859 /nfs/dbraw/zinc/12/98/59/257129859.db2.gz WHAUNCTVVNUUIP-SGTLLEGYSA-N 1 0 317.385 2.361 10 0 DEAERO Cc1cnc(N[C@H]2CCO[C@@]3(CC[N@H+](CC4CC4)C3)C2)nc1 ZINC000253600805 257104869 /nfs/dbraw/zinc/10/48/69/257104869.db2.gz ZJEJMNCLFZJOKA-RDJZCZTQSA-N 1 0 302.422 2.230 10 0 DEAERO c1cnc(OCC[C@H]2CCOC3(C[NH+](CC4CC4)C3)C2)nc1 ZINC000253589906 257105209 /nfs/dbraw/zinc/10/52/09/257105209.db2.gz AKGIQTLLVHCZHC-AWEZNQCLSA-N 1 0 303.406 2.137 10 0 DEAERO c1csc(CN2CC[C@H]3C[N@H+](CC4CC4)CCO[C@H]3C2)n1 ZINC000253590393 257105448 /nfs/dbraw/zinc/10/54/48/257105448.db2.gz AUVYRRRHWXPHKB-GJZGRUSLSA-N 1 0 307.463 2.076 10 0 DEAERO CC(C)([C@H]([NH3+])c1ccc(Br)cc1)S(C)(=O)=O ZINC000069693384 184836925 /nfs/dbraw/zinc/83/69/25/184836925.db2.gz STXHWJVWTLPLJX-SNVBAGLBSA-N 1 0 306.225 2.272 10 0 DEAERO CNC(=O)CN1CCC([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000121801477 195350602 /nfs/dbraw/zinc/35/06/02/195350602.db2.gz ZXHDUKNUMQEKEC-JKSUJKDBSA-N 1 0 309.498 2.391 10 0 DEAERO C[NH+]1CCC(CN2C(=O)C3(CC3)N[C@H]2c2ccsc2)CC1 ZINC000121984081 195385644 /nfs/dbraw/zinc/38/56/44/195385644.db2.gz NKTVCIGSQNNXTN-CQSZACIVSA-N 1 0 305.447 2.053 10 0 DEAERO CC[C@H]([NH3+])[C@@H](OCCOCCOCCOC)c1ccsc1 ZINC000124791940 195680160 /nfs/dbraw/zinc/68/01/60/195680160.db2.gz MIRMOKUIUPBPBQ-GJZGRUSLSA-N 1 0 317.451 2.223 10 0 DEAERO CC(C)[NH2+]C[C@@H](O)C[S@@](=O)c1ccc(Cl)c(Cl)c1 ZINC000126462396 195841601 /nfs/dbraw/zinc/84/16/01/195841601.db2.gz RWXWEOITNGRCRW-LZVRBXCZSA-N 1 0 310.246 2.460 10 0 DEAERO CC[C@H]([NH3+])CC(=O)Nc1ccc(I)cc1 ZINC000127170208 195854577 /nfs/dbraw/zinc/85/45/77/195854577.db2.gz JYCLMDDWYJGIAA-VIFPVBQESA-N 1 0 318.158 2.357 10 0 DEAERO C[NH2+]CCN(C)c1ncc(Br)cc1Br ZINC000127630417 195895915 /nfs/dbraw/zinc/89/59/15/195895915.db2.gz RCPBEAWTUKYDJE-UHFFFAOYSA-N 1 0 323.032 2.262 10 0 DEAERO CCO[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CC=C(C)CC2)C12CCC2 ZINC000545151013 285392125 /nfs/dbraw/zinc/39/21/25/285392125.db2.gz IPLJKTFUBNXCNI-HZPDHXFCSA-N 1 0 321.465 2.285 10 0 DEAERO COc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(OCC2CC2)c1 ZINC000188400114 533308813 /nfs/dbraw/zinc/30/88/13/533308813.db2.gz JDEBEHSXCLHBRH-CQSZACIVSA-N 1 0 318.417 2.260 10 0 DEAERO C/C=C(\CC)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000191649424 533436977 /nfs/dbraw/zinc/43/69/77/533436977.db2.gz HGTFUFNLFRJZQS-FZSIALSZSA-N 1 0 316.449 2.148 10 0 DEAERO C/C=C(\CC)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000190907328 533437852 /nfs/dbraw/zinc/43/78/52/533437852.db2.gz XFFNCEXXGDTMOW-UCIMXVPZSA-N 1 0 302.418 2.094 10 0 DEAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)nn1 ZINC000329544928 533524076 /nfs/dbraw/zinc/52/40/76/533524076.db2.gz ZCJLXCQDRRSIEJ-OCVGTWLNSA-N 1 0 322.453 2.169 10 0 DEAERO Cn1cc(CC[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000340229576 131235057 /nfs/dbraw/zinc/23/50/57/131235057.db2.gz DNSGBEVBJDGGJB-BBRMVZONSA-N 1 0 307.344 2.049 10 0 DEAERO C[C@@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccncc1 ZINC000174116046 132507072 /nfs/dbraw/zinc/50/70/72/132507072.db2.gz SFOVONHVGPHTQP-CABCVRRESA-N 1 0 302.422 2.270 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)NCCC[NH+]2CCCC2)s1 ZINC000175776685 132515395 /nfs/dbraw/zinc/51/53/95/132515395.db2.gz MDVRETXFXQWHEU-GFCCVEGCSA-N 1 0 311.451 2.375 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]3C)cc2)CC1 ZINC000175832848 132515489 /nfs/dbraw/zinc/51/54/89/132515489.db2.gz RHXKUXDDMUMWDC-HNNXBMFYSA-N 1 0 301.434 2.453 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C)c(C(=O)OC)o1 ZINC000176525729 132520631 /nfs/dbraw/zinc/52/06/31/132520631.db2.gz CYZPPYVRWMHXMF-ZIAGYGMSSA-N 1 0 306.406 2.433 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(CCc2ccccc2Cl)n1 ZINC000263301540 132581301 /nfs/dbraw/zinc/58/13/01/132581301.db2.gz XBKLCXSNBVQQBR-CYBMUJFWSA-N 1 0 306.797 2.084 10 0 DEAERO [NH3+]C[C@H]1CN(c2ncncc2-c2ccccc2)CC12CCOCC2 ZINC000562832553 292014116 /nfs/dbraw/zinc/01/41/16/292014116.db2.gz VALGGFTWOQYMRW-INIZCTEOSA-N 1 0 324.428 2.335 10 0 DEAERO Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)s1 ZINC000358179128 133126044 /nfs/dbraw/zinc/12/60/44/133126044.db2.gz RELVIZLARVGDJI-RISCZKNCSA-N 1 0 323.462 2.190 10 0 DEAERO c1ccc2c(c1)CC[C@@H](C[NH+]1CCN(C[C@@H]3CCOC3)CC1)C2 ZINC000359591333 133132444 /nfs/dbraw/zinc/13/24/44/133132444.db2.gz WCBLOZHLBSGXPX-MSOLQXFVSA-N 1 0 314.473 2.446 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Oc1cccc(OC)c1 ZINC000359606287 133134425 /nfs/dbraw/zinc/13/44/25/133134425.db2.gz WFZHUJFFUJERRM-PBHICJAKSA-N 1 0 320.433 2.453 10 0 DEAERO O=C(NC[C@H](CO)C1CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000359823698 133147120 /nfs/dbraw/zinc/14/71/20/133147120.db2.gz QFOFHEWPPYSOMA-MSOLQXFVSA-N 1 0 316.445 2.176 10 0 DEAERO COC(=O)c1cc(C[NH2+]CC[C@H]2COc3ccccc3O2)c[nH]1 ZINC000360277045 133173033 /nfs/dbraw/zinc/17/30/33/133173033.db2.gz ZSOGBDTXHBDDCD-ZDUSSCGKSA-N 1 0 316.357 2.121 10 0 DEAERO CC(C)[NH2+]C1CCN(C(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000360505884 133186483 /nfs/dbraw/zinc/18/64/83/133186483.db2.gz WWNBSVXXWNOPJP-UHFFFAOYSA-N 1 0 315.421 2.235 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000362186577 133215989 /nfs/dbraw/zinc/21/59/89/133215989.db2.gz ZOVZCYKQURCJTE-JSGCOSHPSA-N 1 0 305.340 2.215 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1CC(=O)N(C)CCCOc1ccccc1 ZINC000362235061 133218776 /nfs/dbraw/zinc/21/87/76/133218776.db2.gz JUGOVERLUXSKRS-MRXNPFEDSA-N 1 0 320.433 2.025 10 0 DEAERO C[C@H]1CCOCCN1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000362253486 133220204 /nfs/dbraw/zinc/22/02/04/133220204.db2.gz DSODGRNAGOIUFB-HOCLYGCPSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@@H]1CCOCCN1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000362253484 133220289 /nfs/dbraw/zinc/22/02/89/133220289.db2.gz DSODGRNAGOIUFB-GDBMZVCRSA-N 1 0 311.470 2.317 10 0 DEAERO Cc1ccnc(C2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)n1 ZINC000368224060 133265430 /nfs/dbraw/zinc/26/54/30/133265430.db2.gz VVYOQPJPMWCCDE-CYBMUJFWSA-N 1 0 304.438 2.268 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000547359855 285563852 /nfs/dbraw/zinc/56/38/52/285563852.db2.gz HZOYNGYDBWWGRK-UHFFFAOYSA-N 1 0 322.359 2.174 10 0 DEAERO C[C@H]1CCOCCN1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000373215591 133382702 /nfs/dbraw/zinc/38/27/02/133382702.db2.gz JNQRBYMDBZLIFO-XJKSGUPXSA-N 1 0 323.412 2.249 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000373382161 133388665 /nfs/dbraw/zinc/38/86/65/133388665.db2.gz HFEJYQUJSJGSPZ-OAHLLOKOSA-N 1 0 311.385 2.441 10 0 DEAERO COC(=O)c1nc([C@@H]2CCCN2C[C@]2(C)CC[NH2+]C2)sc1C ZINC000261989300 292036236 /nfs/dbraw/zinc/03/62/36/292036236.db2.gz KCUFZGUCCKJNMC-BLLLJJGKSA-N 1 0 323.462 2.375 10 0 DEAERO COc1ccc(SCC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000078992570 144579288 /nfs/dbraw/zinc/57/92/88/144579288.db2.gz HPXXRRVSXLLIJP-UHFFFAOYSA-N 1 0 308.447 2.340 10 0 DEAERO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000121626413 144684573 /nfs/dbraw/zinc/68/45/73/144684573.db2.gz IFEJKSIAGVFWEY-DLBZAZTESA-N 1 0 308.466 2.166 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000291703139 404485303 /nfs/dbraw/zinc/48/53/03/404485303.db2.gz KIGZHONNIOJXQA-AEFFLSMTSA-N 1 0 312.417 2.374 10 0 DEAERO CC(C)Cn1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC000181105648 144899653 /nfs/dbraw/zinc/89/96/53/144899653.db2.gz VHOWGLLJPFXILW-MQVJKMGUSA-N 1 0 304.438 2.284 10 0 DEAERO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000183666031 144932943 /nfs/dbraw/zinc/93/29/43/144932943.db2.gz TVAROYAWFNZQHA-CRAIPNDOSA-N 1 0 312.413 2.323 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2scnc2C2CCCC2)CCO1 ZINC000184898351 144951211 /nfs/dbraw/zinc/95/12/11/144951211.db2.gz BRYMJHWXQPGXNI-ZDUSSCGKSA-N 1 0 323.462 2.203 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3csc(-c4ccccn4)n3)C[C@@H]12 ZINC000185176644 144957551 /nfs/dbraw/zinc/95/75/51/144957551.db2.gz AGDSWSDWOWJXST-QJPTWQEYSA-N 1 0 314.414 2.014 10 0 DEAERO Cc1cccc(C)c1NCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186550706 144984837 /nfs/dbraw/zinc/98/48/37/144984837.db2.gz VGLRFKBWIBIYRA-OAHLLOKOSA-N 1 0 301.434 2.458 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186802499 144989514 /nfs/dbraw/zinc/98/95/14/144989514.db2.gz FQSCDJKDMKASSO-DYVFJYSZSA-N 1 0 320.481 2.203 10 0 DEAERO [NH3+]Cc1cc(C(=O)NCc2nnc(-c3ccccc3)s2)co1 ZINC000187983034 145005107 /nfs/dbraw/zinc/00/51/07/145005107.db2.gz MWELCMBGVYQIAG-UHFFFAOYSA-N 1 0 314.370 2.187 10 0 DEAERO O=C([C@H]1CCCO[C@H]1c1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000188624165 145014499 /nfs/dbraw/zinc/01/44/99/145014499.db2.gz QTXAOLDTFAJWMG-ROUUACIJSA-N 1 0 314.429 2.461 10 0 DEAERO O=C(c1csc(-c2ccccn2)n1)N1CC[NH+]2CCC1CC2 ZINC000188628272 145015082 /nfs/dbraw/zinc/01/50/82/145015082.db2.gz LXCLQKYRYKKXDH-UHFFFAOYSA-N 1 0 314.414 2.125 10 0 DEAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc(F)cc2nccnc21 ZINC000188753646 145016994 /nfs/dbraw/zinc/01/69/94/145016994.db2.gz UYJQIIGKWGBFAM-UHFFFAOYSA-N 1 0 322.343 2.302 10 0 DEAERO O=C(Cc1ccc(F)c(F)c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188761566 145017429 /nfs/dbraw/zinc/01/74/29/145017429.db2.gz USZDYQQWMXCLOZ-UHFFFAOYSA-N 1 0 302.324 2.427 10 0 DEAERO CSCCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188992457 145020485 /nfs/dbraw/zinc/02/04/85/145020485.db2.gz MWMSNORINBWTJM-FZMZJTMJSA-N 1 0 314.401 2.280 10 0 DEAERO COC(=O)CC1(CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CCCC1 ZINC000189285270 145025095 /nfs/dbraw/zinc/02/50/95/145025095.db2.gz NJIDSTCXJKROIE-LSDHHAIUSA-N 1 0 322.449 2.195 10 0 DEAERO Cc1ccn2c(C[NH+]3CCC(Cn4cncn4)CC3)cnc2c1 ZINC000189979151 145036720 /nfs/dbraw/zinc/03/67/20/145036720.db2.gz SMZVWQZXQAZPAH-UHFFFAOYSA-N 1 0 310.405 2.146 10 0 DEAERO CO[C@H](C)[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000190675791 145046462 /nfs/dbraw/zinc/04/64/62/145046462.db2.gz RWBZKSZOBJJKBQ-UONOGXRCSA-N 1 0 311.426 2.085 10 0 DEAERO CCOC(=O)CC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000190751068 145047508 /nfs/dbraw/zinc/04/75/08/145047508.db2.gz UILMYHPMTSWKLB-SFHVURJKSA-N 1 0 318.417 2.111 10 0 DEAERO CCCC[N@H+](C[C@H](O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000190860014 145049571 /nfs/dbraw/zinc/04/95/71/145049571.db2.gz IMJYWGWUTWLHHR-CVEARBPZSA-N 1 0 317.495 2.217 10 0 DEAERO CC(C)[NH2+]CCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000191431723 145058527 /nfs/dbraw/zinc/05/85/27/145058527.db2.gz CAACKGYWGYVAOH-OAHLLOKOSA-N 1 0 305.470 2.182 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2ccc(C3CC3)cc2)CCO1 ZINC000191604206 145061518 /nfs/dbraw/zinc/06/15/18/145061518.db2.gz MCSYDAPNSJRVSD-KRWDZBQOSA-N 1 0 317.433 2.036 10 0 DEAERO CSc1cccc(N(C2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000191971215 145069143 /nfs/dbraw/zinc/06/91/43/145069143.db2.gz VNRZJJVWXBNRIJ-UHFFFAOYSA-N 1 0 314.476 2.269 10 0 DEAERO C[C@@H](C(=O)/N=c1/sccn1Cc1ccccc1F)[C@H](C)[NH3+] ZINC000192086089 145070946 /nfs/dbraw/zinc/07/09/46/145070946.db2.gz TTWJYBOBNMWVCD-PYMGFVNVSA-N 1 0 307.394 2.148 10 0 DEAERO COCc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000193030442 145081769 /nfs/dbraw/zinc/08/17/69/145081769.db2.gz FSMVUZKILJBCTO-QGZVFWFLSA-N 1 0 318.417 2.415 10 0 DEAERO CCCCOC[C@H](O)C[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000193376037 145085390 /nfs/dbraw/zinc/08/53/90/145085390.db2.gz CNOSCAKHKVWSKT-QGZVFWFLSA-N 1 0 309.454 2.260 10 0 DEAERO CC[NH+](CC)CCN1CCCN(C(=O)c2ccccc2)CC1 ZINC000193478295 145086662 /nfs/dbraw/zinc/08/66/62/145086662.db2.gz LLNMGUWFVLYBLA-UHFFFAOYSA-N 1 0 303.450 2.176 10 0 DEAERO Cc1ccc(C)c(NC(=O)[C@@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000193628824 145087453 /nfs/dbraw/zinc/08/74/53/145087453.db2.gz DAWMAXAYSAQURO-OAGGEKHMSA-N 1 0 301.434 2.124 10 0 DEAERO C[N@H+]1C[C@H]2CN(Cc3ncc(-c4ccccc4F)o3)C[C@H]2C1 ZINC000193632616 145088326 /nfs/dbraw/zinc/08/83/26/145088326.db2.gz VLLQMRQHZQGVLC-BETUJISGSA-N 1 0 301.365 2.474 10 0 DEAERO 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ZINC000074610566 401743082 /nfs/dbraw/zinc/74/30/82/401743082.db2.gz ISRNOCMXPBNKFZ-UHFFFAOYSA-N 1 0 323.441 2.032 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)NCCc2cc(F)ccc2F)C[N@@H+]1C1CC1 ZINC000126445087 401694358 /nfs/dbraw/zinc/69/43/58/401694358.db2.gz LIXQQTXPICYXTH-SMDDNHRTSA-N 1 0 323.387 2.432 10 0 DEAERO Cc1cccc(CNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC000128994792 401797151 /nfs/dbraw/zinc/79/71/51/401797151.db2.gz XVRIAZZHPNBGNW-OAHLLOKOSA-N 1 0 304.438 2.310 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000129154736 401799701 /nfs/dbraw/zinc/79/97/01/401799701.db2.gz OYCDWPUIIJKQBS-DLBZAZTESA-N 1 0 324.513 2.138 10 0 DEAERO CC[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)CC(C)(C)O ZINC000114487269 401801476 /nfs/dbraw/zinc/80/14/76/401801476.db2.gz YNJRKMBREHPALB-HNNXBMFYSA-N 1 0 315.841 2.310 10 0 DEAERO Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCCO2)[NH+](C)C)cc1 ZINC000077007218 401802857 /nfs/dbraw/zinc/80/28/57/401802857.db2.gz CVHHUGVHLIOKLV-SJORKVTESA-N 1 0 319.449 2.418 10 0 DEAERO C[C@@H](CC[NH2+]Cc1cnn(Cc2ccccc2)c1)[S@@](C)=O ZINC000129507267 401805357 /nfs/dbraw/zinc/80/53/57/401805357.db2.gz OMGVFGFCDDHBRV-QKKBWIMNSA-N 1 0 305.447 2.178 10 0 DEAERO Cn1nccc1C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000129708023 401807258 /nfs/dbraw/zinc/80/72/58/401807258.db2.gz LIMGEKMCTXFFLJ-UHFFFAOYSA-N 1 0 308.426 2.124 10 0 DEAERO CC(=O)Nc1cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000008233002 401749855 /nfs/dbraw/zinc/74/98/55/401749855.db2.gz CPNWNBMSDZAYJJ-UHFFFAOYSA-N 1 0 305.422 2.494 10 0 DEAERO CC1(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)COC1 ZINC000112693832 401753838 /nfs/dbraw/zinc/75/38/38/401753838.db2.gz LVSZHFPJCVMQMS-HNNXBMFYSA-N 1 0 320.408 2.190 10 0 DEAERO COC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000127958671 401756993 /nfs/dbraw/zinc/75/69/93/401756993.db2.gz CKTICUWHFVIDTG-HZPDHXFCSA-N 1 0 315.417 2.263 10 0 DEAERO COC[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000112985424 401763720 /nfs/dbraw/zinc/76/37/20/401763720.db2.gz LKQHZTNPPBKRQF-OLZOCXBDSA-N 1 0 322.371 2.146 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000075632789 401764828 /nfs/dbraw/zinc/76/48/28/401764828.db2.gz DORKMMZALZCCRW-ZBFHGGJFSA-N 1 0 316.449 2.142 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000113170030 401768686 /nfs/dbraw/zinc/76/86/86/401768686.db2.gz GQSHUAYMZSOPRD-HNNXBMFYSA-N 1 0 317.364 2.186 10 0 DEAERO CCc1cnc(CCNC(=O)NCC[N@H+](C)C2CCCC2)s1 ZINC000075811017 401769033 /nfs/dbraw/zinc/76/90/33/401769033.db2.gz RSUUHQGKFBFAGQ-UHFFFAOYSA-N 1 0 324.494 2.422 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1Cl ZINC000113305501 401775868 /nfs/dbraw/zinc/77/58/68/401775868.db2.gz BFCWWCKZSKBRKX-VXGBXAGGSA-N 1 0 314.838 2.197 10 0 DEAERO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)c1 ZINC000113306088 401776206 /nfs/dbraw/zinc/77/62/06/401776206.db2.gz CXCJVRJOXBPWMZ-GJZGRUSLSA-N 1 0 308.447 2.161 10 0 DEAERO COc1cccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113367070 401777240 /nfs/dbraw/zinc/77/72/40/401777240.db2.gz JZXLBIMXOJXKES-DZGCQCFKSA-N 1 0 303.406 2.073 10 0 DEAERO CC[NH+](CC)C[C@@H]1CCN(C[C@H](O)COc2ccc(C)cc2)C1 ZINC000076004618 401777460 /nfs/dbraw/zinc/77/74/60/401777460.db2.gz JIIBATPKPOPJLL-ROUUACIJSA-N 1 0 320.477 2.398 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000113367119 401777558 /nfs/dbraw/zinc/77/75/58/401777558.db2.gz ZFHOXUIHYRTTFT-GXTWGEPZSA-N 1 0 317.389 2.158 10 0 DEAERO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000011849352 401777688 /nfs/dbraw/zinc/77/76/88/401777688.db2.gz GBDRBLOAUJSCFZ-UHFFFAOYSA-N 1 0 312.479 2.491 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000128464232 401777899 /nfs/dbraw/zinc/77/78/99/401777899.db2.gz OFUOZBBBSVRTFO-NOLJZWGESA-N 1 0 313.825 2.232 10 0 DEAERO CS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076106715 401782719 /nfs/dbraw/zinc/78/27/19/401782719.db2.gz SECCOHKFABLLOD-CVEARBPZSA-N 1 0 311.447 2.009 10 0 DEAERO CCS(=O)(=O)CC[N@@H+]1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000076393577 401793533 /nfs/dbraw/zinc/79/35/33/401793533.db2.gz NBUJOUBZVTWNET-DZGCQCFKSA-N 1 0 311.447 2.308 10 0 DEAERO C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000077516055 401818647 /nfs/dbraw/zinc/81/86/47/401818647.db2.gz HWWNAGIBXPWLGO-GDBMZVCRSA-N 1 0 305.422 2.421 10 0 DEAERO CSC[C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000077666124 401824602 /nfs/dbraw/zinc/82/46/02/401824602.db2.gz CBDYVHZQVZCESZ-NSHDSACASA-N 1 0 313.442 2.438 10 0 DEAERO CCc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](C)CO)[NH+](C)C)cc1 ZINC000077753995 401828878 /nfs/dbraw/zinc/82/88/78/401828878.db2.gz USJOHNIXSLDGIL-VBQJREDUSA-N 1 0 321.465 2.168 10 0 DEAERO C[C@@H](CO)[C@@H](C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000077772749 401830046 /nfs/dbraw/zinc/83/00/46/401830046.db2.gz INMCPCHDVJEOHO-LSDHHAIUSA-N 1 0 319.449 2.099 10 0 DEAERO C[C@@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000115696501 401835547 /nfs/dbraw/zinc/83/55/47/401835547.db2.gz NDVRSTIRBRDMRK-CHWSQXEVSA-N 1 0 323.412 2.206 10 0 DEAERO C[C@@H]1CC(NC(=O)c2ccccc2OCC[NH+](C)C)C[C@@H](C)O1 ZINC000130676191 401837238 /nfs/dbraw/zinc/83/72/38/401837238.db2.gz BNDYGGWRJBTLBC-ZIAGYGMSSA-N 1 0 320.433 2.313 10 0 DEAERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)on1 ZINC000116252585 401846694 /nfs/dbraw/zinc/84/66/94/401846694.db2.gz ZYEHEYPOSDSXFK-WFASDCNBSA-N 1 0 314.389 2.018 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccnc1 ZINC000116248250 401847137 /nfs/dbraw/zinc/84/71/37/401847137.db2.gz VKBBMYYZHBBRKK-PBHICJAKSA-N 1 0 310.401 2.117 10 0 DEAERO CCCc1cc(N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)n2ncnc2n1 ZINC000078332859 401847379 /nfs/dbraw/zinc/84/73/79/401847379.db2.gz XBKHYJNANIRHOG-ZFWWWQNUSA-N 1 0 316.453 2.243 10 0 DEAERO CN(CC1CCCCC1)C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116309876 401848707 /nfs/dbraw/zinc/84/87/07/401848707.db2.gz XNWOUIARNDKUEL-INIZCTEOSA-N 1 0 318.465 2.248 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cncc(OCCO)n2)C1 ZINC000131524337 401851645 /nfs/dbraw/zinc/85/16/45/401851645.db2.gz HOILCNFNXSGRFF-GASCZTMLSA-N 1 0 322.453 2.018 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1c(F)cccc1Cl ZINC000131620043 401853807 /nfs/dbraw/zinc/85/38/07/401853807.db2.gz OGNGSHZLEFZQSG-SNVBAGLBSA-N 1 0 322.833 2.488 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000131795836 401856730 /nfs/dbraw/zinc/85/67/30/401856730.db2.gz LLTVAHJCBBMTFH-SNVBAGLBSA-N 1 0 320.817 2.194 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1 ZINC000116785331 401858792 /nfs/dbraw/zinc/85/87/92/401858792.db2.gz HONIGCODNCXWFP-OAGGEKHMSA-N 1 0 322.836 2.233 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000078767956 401865376 /nfs/dbraw/zinc/86/53/76/401865376.db2.gz IPKYWNQLHJDQLT-INIZCTEOSA-N 1 0 312.417 2.395 10 0 DEAERO CCc1ccc([C@@H](C)NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000117025568 401866998 /nfs/dbraw/zinc/86/69/98/401866998.db2.gz GXFWSJBEJASHOC-RHSMWYFYSA-N 1 0 319.449 2.282 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)CSCc2cscn2)CC[N@@H+]1C ZINC000132538412 401869041 /nfs/dbraw/zinc/86/90/41/401869041.db2.gz RSRNEVPRSPYIAK-DGCLKSJQSA-N 1 0 313.492 2.317 10 0 DEAERO Cn1cc(CC[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000130015211 401815147 /nfs/dbraw/zinc/81/51/47/401815147.db2.gz DRNLONPTTAGGHO-CQSZACIVSA-N 1 0 322.453 2.199 10 0 DEAERO CCOC(=O)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000135273176 401933330 /nfs/dbraw/zinc/93/33/30/401933330.db2.gz LEQAPDITFZRXGZ-KGLIPLIRSA-N 1 0 310.438 2.049 10 0 DEAERO CC[C@H]1CN(C(=O)NCc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000117399049 401876318 /nfs/dbraw/zinc/87/63/18/401876318.db2.gz OUNMIGFCPAVBQT-KRWDZBQOSA-N 1 0 319.449 2.247 10 0 DEAERO CCn1c(C[NH2+][C@@](C)(CCO)COC)nc2c1cccc2F ZINC000079920269 401883442 /nfs/dbraw/zinc/88/34/42/401883442.db2.gz KEAGBSKXRKPZCY-INIZCTEOSA-N 1 0 309.385 2.072 10 0 DEAERO C[C@@H]1CCC[C@@H](C[NH+]2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000133384448 401884064 /nfs/dbraw/zinc/88/40/64/401884064.db2.gz FKCYVEBJYXLNHB-HUUCEWRRSA-N 1 0 314.437 2.073 10 0 DEAERO CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000080434018 401889556 /nfs/dbraw/zinc/88/95/56/401889556.db2.gz VYQSFPDJMRIYJR-BBWFWOEESA-N 1 0 324.513 2.090 10 0 DEAERO COCC[N@@H+](Cc1ccsc1)C[C@H](O)COC(C)(C)C ZINC000036099277 401902723 /nfs/dbraw/zinc/90/27/23/401902723.db2.gz VPVKHJDPTOQEKG-AWEZNQCLSA-N 1 0 301.452 2.373 10 0 DEAERO [NH3+]C1(CNS(=O)(=O)c2cc(F)cc(F)c2)CCCCCC1 ZINC000036266813 401903768 /nfs/dbraw/zinc/90/37/68/401903768.db2.gz LJYALPAMCKBYTE-UHFFFAOYSA-N 1 0 318.389 2.295 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1cccnc1 ZINC000036954914 401908940 /nfs/dbraw/zinc/90/89/40/401908940.db2.gz CFYYGXNWYVVEQB-NWDGAFQWSA-N 1 0 305.403 2.141 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085362097 401914252 /nfs/dbraw/zinc/91/42/52/401914252.db2.gz GVFWJLXZYQTYMI-CQSZACIVSA-N 1 0 323.485 2.315 10 0 DEAERO COc1cc(C[NH2+]CC[C@H](C)O)cc(Br)c1O ZINC000085984242 401919728 /nfs/dbraw/zinc/91/97/28/401919728.db2.gz WALBMRWSNBNATK-QMMMGPOBSA-N 1 0 304.184 2.024 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(N)=O)CC2)C12CCCCC2 ZINC000119048403 401921928 /nfs/dbraw/zinc/92/19/28/401921928.db2.gz IJWOPRYZRAFITP-LSDHHAIUSA-N 1 0 309.454 2.247 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(OC)c(OCCOC)c1)[NH+](C)C ZINC000135717870 401951384 /nfs/dbraw/zinc/95/13/84/401951384.db2.gz XCNWDQAKZRBDEL-AWEZNQCLSA-N 1 0 324.421 2.389 10 0 DEAERO CC(C)(C)c1ccccc1OCC[NH2+]C1CCN(C(N)=O)CC1 ZINC000089555329 401951666 /nfs/dbraw/zinc/95/16/66/401951666.db2.gz ZNSJWMGARXPEOG-UHFFFAOYSA-N 1 0 319.449 2.496 10 0 DEAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1scnc1C1CC1 ZINC000089850767 401967865 /nfs/dbraw/zinc/96/78/65/401967865.db2.gz OGRUJZWIXRGHFB-LBPRGKRZSA-N 1 0 311.451 2.107 10 0 DEAERO C[C@@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H](C)O1 ZINC000046315510 401968787 /nfs/dbraw/zinc/96/87/87/401968787.db2.gz VRQRFALZLCFALK-FMKPAKJESA-N 1 0 311.470 2.316 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCc3ccc(F)cc3C2)C1 ZINC000136522824 401969039 /nfs/dbraw/zinc/96/90/39/401969039.db2.gz AMLLVEUIXSBOPJ-MRXNPFEDSA-N 1 0 305.397 2.378 10 0 DEAERO CC[NH+](CC)CCOc1ccc(NC(=O)NC2(CO)CC2)cc1 ZINC000119994959 401974163 /nfs/dbraw/zinc/97/41/63/401974163.db2.gz FFIPVCLGLOTWQY-UHFFFAOYSA-N 1 0 321.421 2.054 10 0 DEAERO COc1ccccc1OCCC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000046859314 401974310 /nfs/dbraw/zinc/97/43/10/401974310.db2.gz IVHCZIFBTJTJHJ-HNNXBMFYSA-N 1 0 320.433 2.455 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1sc(COC)nc1C ZINC000136941142 401976179 /nfs/dbraw/zinc/97/61/79/401976179.db2.gz HHELGXQBCDHFKM-CHWSQXEVSA-N 1 0 323.462 2.297 10 0 DEAERO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000137395514 401983079 /nfs/dbraw/zinc/98/30/79/401983079.db2.gz RXCRDCQVBQULJZ-RHSMWYFYSA-N 1 0 302.418 2.359 10 0 DEAERO CCN(CC)C(=O)C[NH+]1CCC(Cn2nc(C)cc2C)CC1 ZINC000090474163 401983327 /nfs/dbraw/zinc/98/33/27/401983327.db2.gz LFULCOKGSAWLOP-UHFFFAOYSA-N 1 0 306.454 2.080 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NCCc2cccnc2)CC1 ZINC000137643970 401985220 /nfs/dbraw/zinc/98/52/20/401985220.db2.gz KFXQTAMKEWJBKO-UHFFFAOYSA-N 1 0 304.438 2.044 10 0 DEAERO CCC[C@@H](C(=O)NC[C@H]1CCN(C)c2ccccc21)[NH+](C)C ZINC000137717338 401985245 /nfs/dbraw/zinc/98/52/45/401985245.db2.gz FECJXLLRYQLVAX-PBHICJAKSA-N 1 0 303.450 2.457 10 0 DEAERO CCC[C@@H](C(=O)NCc1cccc(Cn2cccn2)c1)[NH+](C)C ZINC000137636683 401985347 /nfs/dbraw/zinc/98/53/47/401985347.db2.gz USPZJERFIJZAJB-KRWDZBQOSA-N 1 0 314.433 2.278 10 0 DEAERO CC(C)NC(=O)CC[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000091075158 401991843 /nfs/dbraw/zinc/99/18/43/401991843.db2.gz LHBSKENEIKDQEJ-UHFFFAOYSA-N 1 0 305.466 2.401 10 0 DEAERO CCCc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)n(C)n1 ZINC000091092168 401993175 /nfs/dbraw/zinc/99/31/75/401993175.db2.gz VIVLODBYMFNXCY-AWEZNQCLSA-N 1 0 305.426 2.075 10 0 DEAERO COc1ccc([C@H]2CN(C(C)C)C(=O)[C@]23CCC[NH2+]C3)cc1 ZINC000044137349 401940564 /nfs/dbraw/zinc/94/05/64/401940564.db2.gz AGEPXFCPNYYNHB-AEFFLSMTSA-N 1 0 302.418 2.399 10 0 DEAERO CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000119347920 401943451 /nfs/dbraw/zinc/94/34/51/401943451.db2.gz WNTDMOQMSKLYDL-IINYFYTJSA-N 1 0 311.376 2.033 10 0 DEAERO C[C@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)O1 ZINC000151044531 402012775 /nfs/dbraw/zinc/01/27/75/402012775.db2.gz PHJBILORVRZZPF-XJKSGUPXSA-N 1 0 308.397 2.283 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(CC(C)C)CC1 ZINC000121186335 402019359 /nfs/dbraw/zinc/01/93/59/402019359.db2.gz RWZCWWRMYNHBEP-HNNXBMFYSA-N 1 0 311.470 2.223 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]CC(=O)c2ccc[nH]2)C1 ZINC000095083943 402024896 /nfs/dbraw/zinc/02/48/96/402024896.db2.gz RIULAXQHBAQVIW-GFCCVEGCSA-N 1 0 307.394 2.044 10 0 DEAERO COc1ccc(OC)c([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151255293 402026583 /nfs/dbraw/zinc/02/65/83/402026583.db2.gz FIWMOQDZZCEQQW-LSDHHAIUSA-N 1 0 322.449 2.201 10 0 DEAERO O[C@@H](CN[C@@H]1CSCCc2ccccc21)C[NH+]1CCCCC1 ZINC000151324121 402029874 /nfs/dbraw/zinc/02/98/74/402029874.db2.gz UFSQYTIXDUSHPL-FUHWJXTLSA-N 1 0 320.502 2.453 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(CCOC)Cc2ccccc2)C1 ZINC000052592802 402044341 /nfs/dbraw/zinc/04/43/41/402044341.db2.gz LKSDXDCQAFODEZ-QGZVFWFLSA-N 1 0 319.449 2.329 10 0 DEAERO CCCn1nc(C)c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C ZINC000151619333 402047005 /nfs/dbraw/zinc/04/70/05/402047005.db2.gz JXYNLWSDKMIEIA-SWLSCSKDSA-N 1 0 306.454 2.368 10 0 DEAERO Cn1ccnc1-c1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000150867221 402001144 /nfs/dbraw/zinc/00/11/44/402001144.db2.gz OEYBLGMEHQIVSI-HNNXBMFYSA-N 1 0 313.405 2.255 10 0 DEAERO CCOCCN1CC[N@H+](CCCCn2ccnc2C)C[C@@H]1CC ZINC000120771799 402001686 /nfs/dbraw/zinc/00/16/86/402001686.db2.gz MQWNIEMHKREFQP-SFHVURJKSA-N 1 0 322.497 2.404 10 0 DEAERO COCCOc1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000092648170 402007278 /nfs/dbraw/zinc/00/72/78/402007278.db2.gz ZFMDWGFLBQFHLF-UHFFFAOYSA-N 1 0 316.405 2.140 10 0 DEAERO CC(C)[N@H+](C)CC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000152194367 402080826 /nfs/dbraw/zinc/08/08/26/402080826.db2.gz KRGWTELGHNNQKH-XJKSGUPXSA-N 1 0 308.397 2.454 10 0 DEAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000152220430 402082848 /nfs/dbraw/zinc/08/28/48/402082848.db2.gz NQZXGVHVLRYGAJ-CQSZACIVSA-N 1 0 315.417 2.187 10 0 DEAERO Cc1cccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)n1 ZINC000056914342 402091619 /nfs/dbraw/zinc/09/16/19/402091619.db2.gz KTLPOWGRIPMRIA-UHFFFAOYSA-N 1 0 304.438 2.263 10 0 DEAERO O[C@@H](COCc1ccccc1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058246124 402099696 /nfs/dbraw/zinc/09/96/96/402099696.db2.gz ALUXVTALQABCFR-QGZVFWFLSA-N 1 0 315.417 2.167 10 0 DEAERO COc1cccc(CO[C@H](C)C(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000152711181 402104871 /nfs/dbraw/zinc/10/48/71/402104871.db2.gz KXYOOBGPUURNMY-HUUCEWRRSA-N 1 0 320.433 2.106 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)O1 ZINC000153006005 402121787 /nfs/dbraw/zinc/12/17/87/402121787.db2.gz QILBKAMRGOCVNV-DOMZBBRYSA-N 1 0 319.405 2.061 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)NCCC1=CCCCC1 ZINC000060929672 402107059 /nfs/dbraw/zinc/10/70/59/402107059.db2.gz MRUFFTDTDRMKTQ-UHFFFAOYSA-N 1 0 309.454 2.289 10 0 DEAERO CC(C)[C@H](O)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000152767554 402107583 /nfs/dbraw/zinc/10/75/83/402107583.db2.gz BRXRBFNWLAHYAD-DLBZAZTESA-N 1 0 319.449 2.140 10 0 DEAERO CCC[C@@H](C(=O)NCc1nc(-c2ccccc2)c[nH]1)[NH+](C)C ZINC000123054077 402108519 /nfs/dbraw/zinc/10/85/19/402108519.db2.gz QSRBKVJNCSLTSU-HNNXBMFYSA-N 1 0 300.406 2.423 10 0 DEAERO CCOC(=O)c1cnc2c(F)cc(F)cc2c1N1CC[NH2+]CC1 ZINC000053994925 402061225 /nfs/dbraw/zinc/06/12/25/402061225.db2.gz RVVCAPMHVRKPIO-UHFFFAOYSA-N 1 0 321.327 2.099 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000122147446 402063721 /nfs/dbraw/zinc/06/37/21/402063721.db2.gz LFUKBRIIUKSAAX-LMPOIIKSSA-N 1 0 322.497 2.031 10 0 DEAERO CC(C)NC(=O)CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000054319189 402066015 /nfs/dbraw/zinc/06/60/15/402066015.db2.gz GPVUPPRUMNCHHW-UHFFFAOYSA-N 1 0 309.498 2.489 10 0 DEAERO CCC[C@H](C(=O)NCc1ccccc1NCCOC)[NH+](C)C ZINC000153092574 402126742 /nfs/dbraw/zinc/12/67/42/402126742.db2.gz FMURXLIHLUOHLP-MRXNPFEDSA-N 1 0 307.438 2.091 10 0 DEAERO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123426081 402127749 /nfs/dbraw/zinc/12/77/49/402127749.db2.gz RPPUDHYDCJTZDU-BZUAXINKSA-N 1 0 306.450 2.498 10 0 DEAERO CC[C@@](C)(O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000123448714 402128844 /nfs/dbraw/zinc/12/88/44/402128844.db2.gz CCYUMOSYSHUYOE-LJQANCHMSA-N 1 0 316.445 2.449 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000123523200 402132662 /nfs/dbraw/zinc/13/26/62/402132662.db2.gz VHMBBKZIRXIOEX-KRWDZBQOSA-N 1 0 318.461 2.289 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)Nc2cn[nH]c2)CC1 ZINC000098024520 402134466 /nfs/dbraw/zinc/13/44/66/402134466.db2.gz XMCAVUAZODQUNA-UHFFFAOYSA-N 1 0 314.393 2.196 10 0 DEAERO CC[C@@H]1CN(c2cncc(OCC(C)C)n2)CC[N@@H+]1CCOC ZINC000153286688 402137141 /nfs/dbraw/zinc/13/71/41/402137141.db2.gz DGZGXJNFUPIHSO-OAHLLOKOSA-N 1 0 322.453 2.058 10 0 DEAERO C[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000066652124 402138897 /nfs/dbraw/zinc/13/88/97/402138897.db2.gz HDVVQVMAEJDSMR-GFCCVEGCSA-N 1 0 318.808 2.207 10 0 DEAERO CC(=O)c1cccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123738673 402143922 /nfs/dbraw/zinc/14/39/22/402143922.db2.gz VUKOWZNVTKPNFD-CXAGYDPISA-N 1 0 317.433 2.242 10 0 DEAERO c1cn(-c2ccc(C[NH+]3CCC(n4cncn4)CC3)cc2)cn1 ZINC000101548167 402147310 /nfs/dbraw/zinc/14/73/10/402147310.db2.gz VKWNPCZXMHZCGG-UHFFFAOYSA-N 1 0 308.389 2.301 10 0 DEAERO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCNC2=O)cc1 ZINC000067127593 402152777 /nfs/dbraw/zinc/15/27/77/402152777.db2.gz NZBBQCQUDLERIV-QWHCGFSZSA-N 1 0 303.406 2.401 10 0 DEAERO COCCCOc1cccc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c1 ZINC000153945796 402182532 /nfs/dbraw/zinc/18/25/32/402182532.db2.gz OQNWGKFJIMPEBF-KRWDZBQOSA-N 1 0 320.433 2.202 10 0 DEAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000103284463 402183666 /nfs/dbraw/zinc/18/36/66/402183666.db2.gz HHLQTINFMIJKHL-RYUDHWBXSA-N 1 0 323.824 2.254 10 0 DEAERO COC[C@H](C)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000103427850 402187647 /nfs/dbraw/zinc/18/76/47/402187647.db2.gz WVOMZDQCFJEVKW-HOCLYGCPSA-N 1 0 320.433 2.231 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000124826731 402199206 /nfs/dbraw/zinc/19/92/06/402199206.db2.gz KDBFSSYKXQFSKA-JSGCOSHPSA-N 1 0 304.390 2.013 10 0 DEAERO COC(=O)[C@@H]1CN(Cc2ccc(OC(F)F)cc2)C[C@@H](C)O1 ZINC000124071502 402162447 /nfs/dbraw/zinc/16/24/47/402162447.db2.gz ROHQNPLZUWTSGN-MFKMUULPSA-N 1 0 315.316 2.050 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000067731604 402170278 /nfs/dbraw/zinc/17/02/78/402170278.db2.gz LICJLUIAKMDEEZ-ARFHVFGLSA-N 1 0 305.397 2.465 10 0 DEAERO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cnn(CCC)c2)C1 ZINC000124228852 402170339 /nfs/dbraw/zinc/17/03/39/402170339.db2.gz RIGVXQZKKIBQAX-OAHLLOKOSA-N 1 0 306.454 2.421 10 0 DEAERO CC1CC[NH+](CCN(C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000153791823 402171325 /nfs/dbraw/zinc/17/13/25/402171325.db2.gz YBIOFJYCJYWCRO-QGZVFWFLSA-N 1 0 317.481 2.109 10 0 DEAERO C[C@@H](CC1=CC[N@H+](CCO)CC1)NC(=O)c1cc(F)ccc1F ZINC000067894440 402177637 /nfs/dbraw/zinc/17/76/37/402177637.db2.gz WICSWODJIOBYRO-LBPRGKRZSA-N 1 0 324.371 2.098 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@@H](C)c2ccccc2)CC[N@@H+]1CCOC ZINC000125131107 402215277 /nfs/dbraw/zinc/21/52/77/402215277.db2.gz KTNGZGJOOBLMPP-DOTOQJQBSA-N 1 0 304.434 2.359 10 0 DEAERO Cn1cncc1C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000125236609 402220905 /nfs/dbraw/zinc/22/09/05/402220905.db2.gz MNBKWYKNERNZEU-HOCLYGCPSA-N 1 0 318.808 2.135 10 0 DEAERO CCCn1nccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000069386554 402221306 /nfs/dbraw/zinc/22/13/06/402221306.db2.gz ZCJLPLCPYHBHHJ-CQSZACIVSA-N 1 0 305.426 2.385 10 0 DEAERO CC(C)Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1C1CC1 ZINC000154631893 402222522 /nfs/dbraw/zinc/22/25/22/402222522.db2.gz NEWXYQBTSLYYJV-AWEZNQCLSA-N 1 0 304.438 2.241 10 0 DEAERO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000125436105 402232662 /nfs/dbraw/zinc/23/26/62/402232662.db2.gz NIBLYOZBSHBBOK-DYVFJYSZSA-N 1 0 306.406 2.085 10 0 DEAERO CN(C[C@H]1CCCOC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000107778359 402240448 /nfs/dbraw/zinc/24/04/48/402240448.db2.gz ITXLYXYSKNKWOA-SJORKVTESA-N 1 0 304.434 2.044 10 0 DEAERO Cc1csc([C@@H](C)NC(=O)N2CCC[N@@H+](C3CC3)CC2)n1 ZINC000069828848 402246399 /nfs/dbraw/zinc/24/63/99/402246399.db2.gz ZJPXCOGSMIEBOJ-GFCCVEGCSA-N 1 0 308.451 2.392 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000125748556 402248245 /nfs/dbraw/zinc/24/82/45/402248245.db2.gz RLBAYEMKUUGVQL-OAHLLOKOSA-N 1 0 314.433 2.439 10 0 DEAERO C[C@H](CC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C)NC(=O)C1CCCCC1 ZINC000155324652 402252669 /nfs/dbraw/zinc/25/26/69/402252669.db2.gz SYDISBTUBPEPIC-KFWWJZLASA-N 1 0 323.481 2.013 10 0 DEAERO C[C@@H]1OCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[C@H]1C ZINC000125876456 402254930 /nfs/dbraw/zinc/25/49/30/402254930.db2.gz KMJZVWCXJBYBLI-STQMWFEESA-N 1 0 323.412 2.206 10 0 DEAERO CC[C@H](C)[C@@H](C)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000108564386 402257085 /nfs/dbraw/zinc/25/70/85/402257085.db2.gz MNCBPYTZDRAONE-BBWFWOEESA-N 1 0 324.513 2.233 10 0 DEAERO [NH3+][C@H]1CCN(c2cc(-c3ccccc3)nc(-c3cnccn3)n2)C1 ZINC000070455897 402260703 /nfs/dbraw/zinc/26/07/03/402260703.db2.gz GEDDXGDBYKZDTR-AWEZNQCLSA-N 1 0 318.384 2.138 10 0 DEAERO [NH3+]C[C@H](c1ccsc1)n1cc(I)cn1 ZINC000070677194 402262818 /nfs/dbraw/zinc/26/28/18/402262818.db2.gz AJMUMGNFSWAYQB-SECBINFHSA-N 1 0 319.171 2.097 10 0 DEAERO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886845 402210559 /nfs/dbraw/zinc/21/05/59/402210559.db2.gz HARNLRSDLSRGME-OAHLLOKOSA-N 1 0 306.454 2.146 10 0 DEAERO O=c1cc(C[N@H+]2CC=C(c3ccccc3)CC2)[nH]c2ccnn21 ZINC000108850430 402263187 /nfs/dbraw/zinc/26/31/87/402263187.db2.gz QPPRXCKGYPWWJH-UHFFFAOYSA-N 1 0 306.369 2.312 10 0 DEAERO CCOCC[N@@H+]1CCN(CCC(=O)OC(C)(C)C)C[C@H]1CC ZINC000105914773 402211159 /nfs/dbraw/zinc/21/11/59/402211159.db2.gz NASUKSGZWVKLRY-OAHLLOKOSA-N 1 0 314.470 2.151 10 0 DEAERO CCn1cnnc1C1CC[NH+]([C@@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000105929136 402211713 /nfs/dbraw/zinc/21/17/13/402211713.db2.gz KLWUHVIKDPVRQQ-ZDUSSCGKSA-N 1 0 321.469 2.171 10 0 DEAERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000176589969 402321527 /nfs/dbraw/zinc/32/15/27/402321527.db2.gz IRTMHOHGGZQWJI-GJZGRUSLSA-N 1 0 319.453 2.172 10 0 DEAERO CCOc1cc(C)ccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176605236 402322657 /nfs/dbraw/zinc/32/26/57/402322657.db2.gz HIYYSTJDHNEYIJ-MRXNPFEDSA-N 1 0 317.433 2.383 10 0 DEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(Br)cc1 ZINC000071190422 402271549 /nfs/dbraw/zinc/27/15/49/402271549.db2.gz PZNMVMXJQUWIEN-LLVKDONJSA-N 1 0 311.223 2.473 10 0 DEAERO COCCC(C)(C)CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000185133292 402326678 /nfs/dbraw/zinc/32/66/78/402326678.db2.gz PRCUHYOAXSKVKV-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H]([NH+](C)C)C3)nc21 ZINC000176116894 402280727 /nfs/dbraw/zinc/28/07/27/402280727.db2.gz IJPAEAGVCWJEEV-CQSZACIVSA-N 1 0 314.433 2.357 10 0 DEAERO CCc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)cc1 ZINC000110085407 402280781 /nfs/dbraw/zinc/28/07/81/402280781.db2.gz LWKCFXKMLGBARX-INIZCTEOSA-N 1 0 305.422 2.481 10 0 DEAERO CCCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000184613745 402283985 /nfs/dbraw/zinc/28/39/85/402283985.db2.gz STLLLVYFRLSALX-CABCVRRESA-N 1 0 302.484 2.454 10 0 DEAERO COC(=O)C1(N)CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000215957602 402285232 /nfs/dbraw/zinc/28/52/32/402285232.db2.gz UOSUXTLOUITMLV-UHFFFAOYSA-N 1 0 302.296 2.176 10 0 DEAERO Cc1c(-c2cc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)on2)cnn1C ZINC000184628987 402286137 /nfs/dbraw/zinc/28/61/37/402286137.db2.gz IREBYDRLPLDQAV-DYVFJYSZSA-N 1 0 316.405 2.384 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)C1CCCC1 ZINC000184648070 402288243 /nfs/dbraw/zinc/28/82/43/402288243.db2.gz NZMHSFUSVFFOIY-LBPRGKRZSA-N 1 0 301.390 2.140 10 0 DEAERO CCOc1cccnc1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000176192747 402288962 /nfs/dbraw/zinc/28/89/62/402288962.db2.gz GGYJCFTWMLEAPF-CQSZACIVSA-N 1 0 305.422 2.331 10 0 DEAERO O=C(N[C@H]1CCOC2(CCCC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000157251720 402293513 /nfs/dbraw/zinc/29/35/13/402293513.db2.gz LBVFYFYIPUCSAI-JKSUJKDBSA-N 1 0 319.449 2.134 10 0 DEAERO COCCCOc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000176282448 402296852 /nfs/dbraw/zinc/29/68/52/402296852.db2.gz ICFPIMBDOMSIEP-MRXNPFEDSA-N 1 0 318.417 2.022 10 0 DEAERO CC(C)C[C@H](CCO)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000176304526 402298351 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CCC[NH+]1CCC(CNC(=O)N(C)[C@@H](CO)CC(C)C)CC1 ZINC000185315758 402342876 /nfs/dbraw/zinc/34/28/76/402342876.db2.gz QKAAEYGUJZDQKQ-MRXNPFEDSA-N 1 0 313.486 2.157 10 0 DEAERO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@H](CO)CC(C)C ZINC000185325928 402343810 /nfs/dbraw/zinc/34/38/10/402343810.db2.gz BUKPPTRYEVRGGL-KRWDZBQOSA-N 1 0 306.450 2.292 10 0 DEAERO Cc1cccc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000176882710 402345930 /nfs/dbraw/zinc/34/59/30/402345930.db2.gz MQABQLGABBUNHL-OAHLLOKOSA-N 1 0 304.434 2.160 10 0 DEAERO C[C@@H](C[NH+]1CCC(N(C)c2ccccc2)CC1)CS(C)(=O)=O ZINC000176972726 402355457 /nfs/dbraw/zinc/35/54/57/402355457.db2.gz WGANRAWIMFWGKR-HNNXBMFYSA-N 1 0 324.490 2.268 10 0 DEAERO C[C@H](NCC(F)(F)CO)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000231792090 402356127 /nfs/dbraw/zinc/35/61/27/402356127.db2.gz LHOOZLFCIZGDJG-NWDGAFQWSA-N 1 0 322.396 2.239 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(NC(C)=O)cc1 ZINC000176994897 402357621 /nfs/dbraw/zinc/35/76/21/402357621.db2.gz JRCMCPDVMXGDFW-MRXNPFEDSA-N 1 0 303.406 2.201 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(-c2ccco2)on1 ZINC000177004943 402358537 /nfs/dbraw/zinc/35/85/37/402358537.db2.gz PWXGDZFCYVXFIY-GFCCVEGCSA-N 1 0 303.362 2.491 10 0 DEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccoc1Br ZINC000234345785 402359637 /nfs/dbraw/zinc/35/96/37/402359637.db2.gz CDCLOYMFLYQQQB-SECBINFHSA-N 1 0 301.184 2.066 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1ccc(F)cc1 ZINC000177024748 402360718 /nfs/dbraw/zinc/36/07/18/402360718.db2.gz USLQHNAUWHOSIQ-INIZCTEOSA-N 1 0 307.413 2.494 10 0 DEAERO COC[C@H](C)OC[C@@H](O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000234698859 402360903 /nfs/dbraw/zinc/36/09/03/402360903.db2.gz GPJKYYCXCRTLCX-WFASDCNBSA-N 1 0 301.814 2.184 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc2c(c1)OCCCO2 ZINC000177029970 402360954 /nfs/dbraw/zinc/36/09/54/402360954.db2.gz AQOLZHKDZZZMQB-OAHLLOKOSA-N 1 0 318.417 2.404 10 0 DEAERO COc1nc(N(C)CC[C@@H]([NH3+])C(C)C)ncc1Br ZINC000234912570 402362195 /nfs/dbraw/zinc/36/21/95/402362195.db2.gz FVWRYZMCOOJFRT-SNVBAGLBSA-N 1 0 317.231 2.057 10 0 DEAERO CCc1oc(C(=O)OC)cc1C[NH+]1CCC(n2cncn2)CC1 ZINC000177085859 402368280 /nfs/dbraw/zinc/36/82/80/402368280.db2.gz PUYFNVSLKDYZKU-UHFFFAOYSA-N 1 0 318.377 2.057 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)NCCOc1ccc(F)cc1F ZINC000236667809 402372566 /nfs/dbraw/zinc/37/25/66/402372566.db2.gz XXSCYPZRBUGYRZ-UHFFFAOYSA-N 1 0 300.349 2.225 10 0 DEAERO CC(C)c1ccc(NC(=O)CN(C)[C@@H](C)C[S@](C)=O)cc1 ZINC000185127802 402326849 /nfs/dbraw/zinc/32/68/49/402326849.db2.gz ZNQLVIZDAXJSMM-ZSEKCTLFSA-N 1 0 310.463 2.447 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2CC[C@H](C[NH+](C)C)C2)s1 ZINC000176691047 402329016 /nfs/dbraw/zinc/32/90/16/402329016.db2.gz NGIGPDBVXQUIKV-VXGBXAGGSA-N 1 0 311.451 2.183 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000185891325 402386246 /nfs/dbraw/zinc/38/62/46/402386246.db2.gz HWVXUKASPIFYRS-OAHLLOKOSA-N 1 0 316.405 2.477 10 0 DEAERO C[C@@]1(CNC(=O)N[C@@H]2CCOC2)CCC[N@@H+]1Cc1ccccc1 ZINC000344996472 404491312 /nfs/dbraw/zinc/49/13/12/404491312.db2.gz CIEZBZLJQBEWNR-AEFFLSMTSA-N 1 0 317.433 2.129 10 0 DEAERO C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000176739858 402332331 /nfs/dbraw/zinc/33/23/31/402332331.db2.gz OVRRSDGJDGAXRJ-ISBHARSQSA-N 1 0 306.381 2.018 10 0 DEAERO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000185211042 402334911 /nfs/dbraw/zinc/33/49/11/402334911.db2.gz VHNSPJYQZXAABU-GJZGRUSLSA-N 1 0 302.422 2.064 10 0 DEAERO COc1cc(C[NH2+][C@H](C)C[C@@H](C)O)cc(Br)c1O ZINC000228072406 402336061 /nfs/dbraw/zinc/33/60/61/402336061.db2.gz CDEPNDRAJFDWMU-RKDXNWHRSA-N 1 0 318.211 2.412 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)NCCC2=CCCCCC2)CCO1 ZINC000185263987 402339336 /nfs/dbraw/zinc/33/93/36/402339336.db2.gz AYFDRHJZACIEMS-INIZCTEOSA-N 1 0 309.454 2.239 10 0 DEAERO [NH3+][C@H]1CCC[C@H](NC(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000161654016 402394884 /nfs/dbraw/zinc/39/48/84/402394884.db2.gz MNQAETYDYINJGW-RYUDHWBXSA-N 1 0 310.344 2.314 10 0 DEAERO CC[C@@H]1CN(Cc2csc(C3CC3)n2)CC[N@@H+]1C[C@@H](C)O ZINC000161671342 402395432 /nfs/dbraw/zinc/39/54/32/402395432.db2.gz FMRYXCGASYQHNT-IUODEOHRSA-N 1 0 309.479 2.298 10 0 DEAERO COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000161793283 402399767 /nfs/dbraw/zinc/39/97/67/402399767.db2.gz TZKSBYNOXYSWHV-IAGOWNOFSA-N 1 0 308.466 2.430 10 0 DEAERO CC(C)NC(=O)CC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186089683 402400328 /nfs/dbraw/zinc/40/03/28/402400328.db2.gz UQAZQOLDLLRCGR-KRWDZBQOSA-N 1 0 304.434 2.235 10 0 DEAERO O=C(CC1CCSCC1)NCCC[NH2+]Cc1cccnc1 ZINC000161876080 402402537 /nfs/dbraw/zinc/40/25/37/402402537.db2.gz UMMQJYHTLBXBDX-UHFFFAOYSA-N 1 0 307.463 2.211 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000237307731 402403177 /nfs/dbraw/zinc/40/31/77/402403177.db2.gz SPNDPTFYHQWJDM-MGPQQGTHSA-N 1 0 306.406 2.048 10 0 DEAERO COC(=O)c1coc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000186169399 402407502 /nfs/dbraw/zinc/40/75/02/402407502.db2.gz LBJPHXBGTNLFOZ-LLVKDONJSA-N 1 0 322.386 2.160 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]CCCc2c[nH]nc2C)C12CCOCC2 ZINC000186234904 402413717 /nfs/dbraw/zinc/41/37/17/402413717.db2.gz AYOLPMHTWUHWAI-CVEARBPZSA-N 1 0 307.438 2.215 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CCCc2c[nH]nc2C)C12CCOCC2 ZINC000186234882 402413830 /nfs/dbraw/zinc/41/38/30/402413830.db2.gz AYOLPMHTWUHWAI-HZPDHXFCSA-N 1 0 307.438 2.215 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1c(C)cccc1F ZINC000186270518 402416603 /nfs/dbraw/zinc/41/66/03/402416603.db2.gz QMIAYTHBKOWRRL-LBPRGKRZSA-N 1 0 302.415 2.143 10 0 DEAERO Cc1noc(C)c1C[C@@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000162420585 402419420 /nfs/dbraw/zinc/41/94/20/402419420.db2.gz LINWXNQUOVJGLF-IUODEOHRSA-N 1 0 320.437 2.102 10 0 DEAERO O=C(NCC[C@H]1CCC[NH2+]C1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000237925175 402426035 /nfs/dbraw/zinc/42/60/35/402426035.db2.gz DVTXPRWPTNUXQA-GFCCVEGCSA-N 1 0 316.380 2.335 10 0 DEAERO O=C(C[C@H]1OCCc2ccccc21)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186513182 402438011 /nfs/dbraw/zinc/43/80/11/402438011.db2.gz OVPOFAFAKNAZNQ-MAUKXSAKSA-N 1 0 314.429 2.434 10 0 DEAERO COc1cc(F)ccc1N1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000163026027 402439944 /nfs/dbraw/zinc/43/99/44/402439944.db2.gz PVUJIYMISYTWLU-MRXNPFEDSA-N 1 0 321.440 2.441 10 0 DEAERO Clc1ccc(-n2cc(CN3CC[NH+](C4CC4)CC3)nn2)cc1 ZINC000163171495 402443267 /nfs/dbraw/zinc/44/32/67/402443267.db2.gz HOVRNEDJVUDWDV-UHFFFAOYSA-N 1 0 317.824 2.201 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000177944005 402446188 /nfs/dbraw/zinc/44/61/88/402446188.db2.gz KGRVNEDAJVIWBY-FUHWJXTLSA-N 1 0 308.466 2.260 10 0 DEAERO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187726841 402510009 /nfs/dbraw/zinc/51/00/09/402510009.db2.gz WAKCUBUJGNKXAD-JTQLQIEISA-N 1 0 319.336 2.025 10 0 DEAERO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)NCc1cccnc1 ZINC000246108876 402510523 /nfs/dbraw/zinc/51/05/23/402510523.db2.gz JLLRZGNKLUQSBM-HUUCEWRRSA-N 1 0 305.447 2.058 10 0 DEAERO Cn1ncc2c1ncnc2N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246117302 402511548 /nfs/dbraw/zinc/51/15/48/402511548.db2.gz RIFNBKXZAXQUFT-DGCLKSJQSA-N 1 0 313.361 2.049 10 0 DEAERO C[N@H+](CCN1CCC[C@@]12CCOC2=O)Cc1ccc(F)cc1 ZINC000186657588 402452323 /nfs/dbraw/zinc/45/23/23/402452323.db2.gz AIUSAPWOIYGUHX-KRWDZBQOSA-N 1 0 306.381 2.039 10 0 DEAERO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@](C)(O)C1 ZINC000163747518 402456530 /nfs/dbraw/zinc/45/65/30/402456530.db2.gz LRJVYQYHUBKSRQ-NVXWUHKLSA-N 1 0 311.470 2.053 10 0 DEAERO Brc1csc(C[NH2+]CCCn2ccnn2)c1 ZINC000163779409 402457104 /nfs/dbraw/zinc/45/71/04/402457104.db2.gz OUIDKKHBCIQNTO-UHFFFAOYSA-N 1 0 301.213 2.282 10 0 DEAERO CC[C@H](CSC)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000164097984 402460260 /nfs/dbraw/zinc/46/02/60/402460260.db2.gz WSHBAQTXIOWXLH-ZYHUDNBSSA-N 1 0 302.465 2.126 10 0 DEAERO COc1cccc([C@H]2C[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000245455062 402461827 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C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)CCO)[C@@H]1c1ccccc1 ZINC000247977840 402579139 /nfs/dbraw/zinc/57/91/39/402579139.db2.gz GUDWFADEPIGBNV-HOTGVXAUSA-N 1 0 319.449 2.140 10 0 DEAERO CN(Cc1cccs1)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247971981 402579315 /nfs/dbraw/zinc/57/93/15/402579315.db2.gz JRAOCNVVQXGKJL-WMLDXEAASA-N 1 0 322.474 2.334 10 0 DEAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccncc2OC)C1 ZINC000249410838 402628772 /nfs/dbraw/zinc/62/87/72/402628772.db2.gz XVOXJLYKUZZEBO-KGLIPLIRSA-N 1 0 320.437 2.182 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179263219 402583641 /nfs/dbraw/zinc/58/36/41/402583641.db2.gz GRCOVSNOMGJPPH-BBWFWOEESA-N 1 0 317.433 2.252 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@H](C)CCC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000248448608 402591319 /nfs/dbraw/zinc/59/13/19/402591319.db2.gz HPPJXZSWXKESRO-BZUAXINKSA-N 1 0 313.486 2.298 10 0 DEAERO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000179726097 402598698 /nfs/dbraw/zinc/59/86/98/402598698.db2.gz QMUVXHGCBBXCON-LBPRGKRZSA-N 1 0 304.438 2.217 10 0 DEAERO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H]3CCCOC3)C2)CC1 ZINC000171610500 402600784 /nfs/dbraw/zinc/60/07/84/402600784.db2.gz IUGXANFDSSEPRO-SJORKVTESA-N 1 0 323.481 2.319 10 0 DEAERO CCCCOC[C@@H](O)C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000248662927 402602395 /nfs/dbraw/zinc/60/23/95/402602395.db2.gz YTDBDURRLAFQJP-YCRPNKLZSA-N 1 0 313.463 2.033 10 0 DEAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000190473298 402603343 /nfs/dbraw/zinc/60/33/43/402603343.db2.gz JQCBCXFIHKTGPA-KRWDZBQOSA-N 1 0 301.434 2.182 10 0 DEAERO Cc1ccc(NC(=O)[C@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000171639475 402604314 /nfs/dbraw/zinc/60/43/14/402604314.db2.gz XEMWYTRKEYBVTM-JKSUJKDBSA-N 1 0 301.434 2.410 10 0 DEAERO C[C@H](O)CN1CC[N@H+](CCSCc2ccccc2)C[C@H]1C ZINC000248708323 402604874 /nfs/dbraw/zinc/60/48/74/402604874.db2.gz BMKAORYSPCKVLK-CVEARBPZSA-N 1 0 308.491 2.307 10 0 DEAERO Cc1cccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000171648119 402605885 /nfs/dbraw/zinc/60/58/85/402605885.db2.gz PLBAGKWNMKHSCM-INIZCTEOSA-N 1 0 302.422 2.160 10 0 DEAERO C[C@@H](O)c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000171672869 402608487 /nfs/dbraw/zinc/60/84/87/402608487.db2.gz BVYLSPJLYKXLDI-RHSMWYFYSA-N 1 0 317.433 2.120 10 0 DEAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000248828720 402609941 /nfs/dbraw/zinc/60/99/41/402609941.db2.gz KYRHCLGPVHSVHW-JLVBRIDZSA-N 1 0 316.445 2.195 10 0 DEAERO O=C1O[C@H](C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)CC12CCC2 ZINC000248846880 402611010 /nfs/dbraw/zinc/61/10/10/402611010.db2.gz NJTFVROSJYRSSB-KKUMJFAQSA-N 1 0 321.442 2.242 10 0 DEAERO O=C([C@H]1CCCc2c(O)cccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248914462 402614626 /nfs/dbraw/zinc/61/46/26/402614626.db2.gz SJKAXFHAMCVHLW-BBRMVZONSA-N 1 0 300.402 2.119 10 0 DEAERO C[C@H]1CN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCS1 ZINC000171731032 402616428 /nfs/dbraw/zinc/61/64/28/402616428.db2.gz DGFIFOILDLKVFR-AWEZNQCLSA-N 1 0 319.474 2.192 10 0 DEAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NC(C)(C)C)C1 ZINC000190677663 402617788 /nfs/dbraw/zinc/61/77/88/402617788.db2.gz ZRGSLMFGTBNJRD-OAHLLOKOSA-N 1 0 304.438 2.343 10 0 DEAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccsc3)C2)CC1 ZINC000180573185 402620179 /nfs/dbraw/zinc/62/01/79/402620179.db2.gz VWYGQTSNZBUBLC-OAHLLOKOSA-N 1 0 322.478 2.382 10 0 DEAERO CCc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)ccc1C ZINC000180599016 402621576 /nfs/dbraw/zinc/62/15/76/402621576.db2.gz PTDHEPWHNGJRDG-ZDUSSCGKSA-N 1 0 317.433 2.095 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)o1 ZINC000249138389 402622042 /nfs/dbraw/zinc/62/20/42/402622042.db2.gz VDIWYKHSTQEAKT-TZMCWYRMSA-N 1 0 323.437 2.136 10 0 DEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](COC)Cc1ccccc1)CC2 ZINC000180624804 402622043 /nfs/dbraw/zinc/62/20/43/402622043.db2.gz DTLWLGPHXDBRMH-JKSUJKDBSA-N 1 0 314.433 2.003 10 0 DEAERO COc1ccc([C@H](C)C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000180655090 402622406 /nfs/dbraw/zinc/62/24/06/402622406.db2.gz PYGKAHUJZCTWPZ-GJYPPUQNSA-N 1 0 318.461 2.451 10 0 DEAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000249247275 402624300 /nfs/dbraw/zinc/62/43/00/402624300.db2.gz VSRACUNUQWHVPZ-YNEHKIRRSA-N 1 0 306.406 2.412 10 0 DEAERO COCCN1CCC[N@H+](CCCc2ccccc2C)CC1=O ZINC000190811269 402624364 /nfs/dbraw/zinc/62/43/64/402624364.db2.gz GNDAGYGENMPBOY-UHFFFAOYSA-N 1 0 304.434 2.108 10 0 DEAERO C[C@H](CNC(=O)NC[C@@H]1CCC(C)(C)O1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249281667 402624875 /nfs/dbraw/zinc/62/48/75/402624875.db2.gz PYNBIEFPDLDACD-KFWWJZLASA-N 1 0 311.470 2.364 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cccnc2N2CCCCC2)C1 ZINC000171319436 402577678 /nfs/dbraw/zinc/57/76/78/402577678.db2.gz NWZKZQRZUGXQCU-HNNXBMFYSA-N 1 0 316.449 2.286 10 0 DEAERO CC1CC[NH+](CCNC(=O)NCCCc2ccccn2)CC1 ZINC000179170829 402577706 /nfs/dbraw/zinc/57/77/06/402577706.db2.gz KLDFXLNTRLZWAF-UHFFFAOYSA-N 1 0 304.438 2.045 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000180957264 402630843 /nfs/dbraw/zinc/63/08/43/402630843.db2.gz OXHPUERYYNTOPU-WCQYABFASA-N 1 0 313.467 2.174 10 0 DEAERO O=C(NCCCOc1ccc(F)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171905307 402632398 /nfs/dbraw/zinc/63/23/98/402632398.db2.gz GOMMMKFIVBYFLQ-HNNXBMFYSA-N 1 0 321.396 2.084 10 0 DEAERO Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249559829 402634804 /nfs/dbraw/zinc/63/48/04/402634804.db2.gz LGXNJQREKCADCT-QGPMSJSTSA-N 1 0 307.434 2.218 10 0 DEAERO COCCOc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000171959921 402635433 /nfs/dbraw/zinc/63/54/33/402635433.db2.gz GLZOXCUXQXPTDH-HNNXBMFYSA-N 1 0 320.433 2.316 10 0 DEAERO OC[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1c1ccsc1 ZINC000249592058 402635795 /nfs/dbraw/zinc/63/57/95/402635795.db2.gz VSUAXNGGWAMXDK-BZSNNMDCSA-N 1 0 317.454 2.359 10 0 DEAERO CCOc1ccccc1CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171906907 402632965 /nfs/dbraw/zinc/63/29/65/402632965.db2.gz SRWMTLYHTJFCGY-INIZCTEOSA-N 1 0 317.433 2.117 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000249536284 402633602 /nfs/dbraw/zinc/63/36/02/402633602.db2.gz CMODWWKKBWROGU-UNEWFSDZSA-N 1 0 311.397 2.048 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)cc2c1OCOC2 ZINC000172081825 402639820 /nfs/dbraw/zinc/63/98/20/402639820.db2.gz NZQRDRQPEHNHBC-MLGOLLRUSA-N 1 0 306.381 2.361 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)NCc2ccccn2)ccc1F ZINC000172121537 402641409 /nfs/dbraw/zinc/64/14/09/402641409.db2.gz CMPKHWXJZSGOFZ-UHFFFAOYSA-N 1 0 316.380 2.282 10 0 DEAERO CC[C@]1(C)CN(Cc2cc(OC)c3c(c2)OCCO3)CCO1 ZINC000191146703 402645414 /nfs/dbraw/zinc/64/54/14/402645414.db2.gz AXYRTNZWJBGTGI-QGZVFWFLSA-N 1 0 307.390 2.467 10 0 DEAERO O=C(CCc1ccncn1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000191166703 402647611 /nfs/dbraw/zinc/64/76/11/402647611.db2.gz TXUOFCWTPQECFX-UHFFFAOYSA-N 1 0 324.428 2.321 10 0 DEAERO COC(=O)CC(C)(C)CC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000181509198 402647849 /nfs/dbraw/zinc/64/78/49/402647849.db2.gz OZNRWJKXXCQCJJ-CQSZACIVSA-N 1 0 321.421 2.162 10 0 DEAERO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000172282418 402647891 /nfs/dbraw/zinc/64/78/91/402647891.db2.gz JXGIXBBLFGPOPP-SFHVURJKSA-N 1 0 316.449 2.201 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccn([C@H](C)COC)n1 ZINC000251847630 402650102 /nfs/dbraw/zinc/65/01/02/402650102.db2.gz PJKKODIEZAMPIG-ZIAGYGMSSA-N 1 0 323.441 2.039 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](O)CC(C)(C)C ZINC000172326697 402650194 /nfs/dbraw/zinc/65/01/94/402650194.db2.gz FFFGZHHRPJKYQN-KBPBESRZSA-N 1 0 301.475 2.059 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC[C@H]1C ZINC000251998057 402652078 /nfs/dbraw/zinc/65/20/78/402652078.db2.gz WKCKJOZWTNWCRU-BZUAXINKSA-N 1 0 311.470 2.173 10 0 DEAERO C[C@@H]1CC(NC(=O)NCCCC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000172375211 402653475 /nfs/dbraw/zinc/65/34/75/402653475.db2.gz IWQZAEHUYBCLJP-GJZGRUSLSA-N 1 0 311.470 2.223 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181704273 402654882 /nfs/dbraw/zinc/65/48/82/402654882.db2.gz NLEPUURHWDFTMP-DOTOQJQBSA-N 1 0 321.509 2.440 10 0 DEAERO COC(C)(C)C[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000173817324 402713892 /nfs/dbraw/zinc/71/38/92/402713892.db2.gz JQFLSULQJASKPS-ZBFHGGJFSA-N 1 0 306.450 2.479 10 0 DEAERO C[NH+](C)Cc1cccc(NC(=O)NCC2(C)OCCCO2)c1 ZINC000192192021 402716206 /nfs/dbraw/zinc/71/62/06/402716206.db2.gz OMADZBGCXVEGJT-UHFFFAOYSA-N 1 0 307.394 2.023 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[C@H]1CCCCO1 ZINC000182796190 402716727 /nfs/dbraw/zinc/71/67/27/402716727.db2.gz JTGSSCLAFQMBRJ-IAGOWNOFSA-N 1 0 304.434 2.235 10 0 DEAERO COCCN(CCOc1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261769325 402717130 /nfs/dbraw/zinc/71/71/30/402717130.db2.gz MNGSSAMAKQPGQG-KRWDZBQOSA-N 1 0 310.413 2.153 10 0 DEAERO CC[C@H](CCO)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000252801547 402661365 /nfs/dbraw/zinc/66/13/65/402661365.db2.gz UBJHDMRLAXOOBL-PVAVHDDUSA-N 1 0 319.449 2.140 10 0 DEAERO COCC[N@@H+]1CCN(Cc2ccc(Br)o2)C[C@@H]1C ZINC000191336794 402662014 /nfs/dbraw/zinc/66/20/14/402662014.db2.gz IKUYIBQGBDQBDI-NSHDSACASA-N 1 0 317.227 2.195 10 0 DEAERO COCCN(C)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000191399039 402666867 /nfs/dbraw/zinc/66/68/67/402666867.db2.gz RLRRBJLQBLGETH-DOTOQJQBSA-N 1 0 320.481 2.079 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC[N@@H+]1C ZINC000172619348 402666884 /nfs/dbraw/zinc/66/68/84/402666884.db2.gz UQWFOXUOYFFRGV-FHIRATQRSA-N 1 0 318.417 2.156 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc2ccccc2c1O ZINC000253542900 402667741 /nfs/dbraw/zinc/66/77/41/402667741.db2.gz GDKDRHVUAAQSRU-STQMWFEESA-N 1 0 311.385 2.249 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000253549525 402668608 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CC[C@@H]1CN(C(=O)/C=C\c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000255315113 402683835 /nfs/dbraw/zinc/68/38/35/402683835.db2.gz YCOVIZCDNQCPBW-HXNUIPBLSA-N 1 0 302.418 2.003 10 0 DEAERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c(C)c1O ZINC000261944485 402720070 /nfs/dbraw/zinc/72/00/70/402720070.db2.gz VGPMDZOMPXEPFP-HNJNHCNJSA-N 1 0 318.417 2.480 10 0 DEAERO COC[C@@H](C)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000173253011 402689667 /nfs/dbraw/zinc/68/96/67/402689667.db2.gz PWFHUZPQLVTIMH-CQSZACIVSA-N 1 0 302.418 2.323 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2cccc(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000173269933 402690112 /nfs/dbraw/zinc/69/01/12/402690112.db2.gz WNRMOIWSZVLGPH-IUODEOHRSA-N 1 0 309.385 2.135 10 0 DEAERO CCc1cnc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000173391208 402695639 /nfs/dbraw/zinc/69/56/39/402695639.db2.gz AGQBTZVDMPOESY-CHWSQXEVSA-N 1 0 324.494 2.372 10 0 DEAERO Cc1cccc2c1OCC[C@H]2NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191908960 402698203 /nfs/dbraw/zinc/69/82/03/402698203.db2.gz HPZFIZVTCWLAKE-GDBMZVCRSA-N 1 0 315.417 2.308 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000191952723 402700832 /nfs/dbraw/zinc/70/08/32/402700832.db2.gz RURCFKDGKACSDM-SNVBAGLBSA-N 1 0 308.451 2.050 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@](C)(O)c2ccccc2)C1 ZINC000182594610 402702370 /nfs/dbraw/zinc/70/23/70/402702370.db2.gz YXVMQBUXADAEIA-HFTRVMKXSA-N 1 0 304.434 2.129 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000262575351 402727060 /nfs/dbraw/zinc/72/70/60/402727060.db2.gz ILIUPNMUGPXZCT-IKGGRYGDSA-N 1 0 302.418 2.283 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CCc2cccn2C)C1 ZINC000174238048 402733242 /nfs/dbraw/zinc/73/32/42/402733242.db2.gz QYRGXKCITCBTKR-LSDHHAIUSA-N 1 0 306.454 2.130 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000262865044 402735636 /nfs/dbraw/zinc/73/56/36/402735636.db2.gz UMHALQADVGKZFG-HZMBPMFUSA-N 1 0 306.793 2.230 10 0 DEAERO CCO[C@H](CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)C ZINC000174319105 402736876 /nfs/dbraw/zinc/73/68/76/402736876.db2.gz FYFIAWSOQVUHPZ-HZPDHXFCSA-N 1 0 311.470 2.317 10 0 DEAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC000183224632 402748489 /nfs/dbraw/zinc/74/84/89/402748489.db2.gz QFCZQRBGCMPXMC-MRXNPFEDSA-N 1 0 315.417 2.232 10 0 DEAERO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)cc1Cl ZINC000183222867 402748752 /nfs/dbraw/zinc/74/87/52/402748752.db2.gz MOCWKKFZMJPRDK-GXFFZTMASA-N 1 0 312.797 2.444 10 0 DEAERO COc1cccc([C@H]2[C@@H](NC(=O)C3CC3)CC[N@@H+]2C2CC2)c1 ZINC000183240855 402749543 /nfs/dbraw/zinc/74/95/43/402749543.db2.gz SZIKXLQQNNLPPC-IRXDYDNUSA-N 1 0 300.402 2.499 10 0 DEAERO O=C(NCCCC1CCCC1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000192804626 402751090 /nfs/dbraw/zinc/75/10/90/402751090.db2.gz OHNUHMQBPLZRIF-INIZCTEOSA-N 1 0 311.470 2.103 10 0 DEAERO CC(C)Oc1ccccc1Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263276856 402753102 /nfs/dbraw/zinc/75/31/02/402753102.db2.gz SYOKBKLZNGUGHF-AWEZNQCLSA-N 1 0 316.405 2.024 10 0 DEAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(Oc2cccc(F)c2)cc1 ZINC000263306813 402757055 /nfs/dbraw/zinc/75/70/55/402757055.db2.gz XZKDYBWBZSBJHG-RDTXWAMCSA-N 1 0 316.376 2.288 10 0 DEAERO COc1ccccc1Oc1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000263324852 402758915 /nfs/dbraw/zinc/75/89/15/402758915.db2.gz SKVMLKXPHHJASQ-UHFFFAOYSA-N 1 0 312.369 2.323 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccnn1C ZINC000192990795 402759650 /nfs/dbraw/zinc/75/96/50/402759650.db2.gz AJOLCLDFKPSPSE-DGCLKSJQSA-N 1 0 302.353 2.015 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](O)c1ccc(C)cc1 ZINC000192993797 402759873 /nfs/dbraw/zinc/75/98/73/402759873.db2.gz MLJZDYRVNIGYMR-HOCLYGCPSA-N 1 0 307.438 2.058 10 0 DEAERO Cc1cnc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000174915128 402762781 /nfs/dbraw/zinc/76/27/81/402762781.db2.gz HPPUQTJBSPIWLS-DRZSPHRISA-N 1 0 308.451 2.391 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccccc1OC ZINC000174970268 402767977 /nfs/dbraw/zinc/76/79/77/402767977.db2.gz WTOVJZDBOPZYMB-JKSUJKDBSA-N 1 0 302.418 2.323 10 0 DEAERO C[C@@H]1CCCC[C@H]1OCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183515745 402773478 /nfs/dbraw/zinc/77/34/78/402773478.db2.gz NSJFRMAFMXYFDJ-CZUORRHYSA-N 1 0 305.422 2.473 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(CC(C)C)C1CC1 ZINC000175036813 402773623 /nfs/dbraw/zinc/77/36/23/402773623.db2.gz KWYNEQMYYQRIJE-NVXWUHKLSA-N 1 0 307.482 2.192 10 0 DEAERO CC(=O)Nc1cccc(CNC(=O)c2c[nH+]ccc2N(C)C)c1 ZINC000183515387 402773696 /nfs/dbraw/zinc/77/36/96/402773696.db2.gz VOTLWGWCQMSZPE-UHFFFAOYSA-N 1 0 312.373 2.036 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(C(=O)OC)ccc2C)C1 ZINC000194320975 402792472 /nfs/dbraw/zinc/79/24/72/402792472.db2.gz WNAXUUCEDNZRSN-CQSZACIVSA-N 1 0 319.405 2.387 10 0 DEAERO CCc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cnn1-c1ccccc1 ZINC000195329232 402842423 /nfs/dbraw/zinc/84/24/23/402842423.db2.gz MZIVLCFKQYMOLO-MRXNPFEDSA-N 1 0 324.428 2.355 10 0 DEAERO O[C@H]1c2ccccc2C[C@@H]1[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183811417 402799720 /nfs/dbraw/zinc/79/97/20/402799720.db2.gz QXMPTOBGJORKTR-HKUYNNGSSA-N 1 0 309.413 2.252 10 0 DEAERO O=C(c1cc(F)cc2[nH]c(=S)[nH]c21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195336102 402842501 /nfs/dbraw/zinc/84/25/01/402842501.db2.gz ZWCSOHGTRYUKRI-JTQLQIEISA-N 1 0 320.393 2.285 10 0 DEAERO COc1ccc2[nH]cc(CC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000195332304 402842518 /nfs/dbraw/zinc/84/25/18/402842518.db2.gz BZRCMJHVWLIKNJ-CQSZACIVSA-N 1 0 313.401 2.026 10 0 DEAERO COc1ccc2[nH]cc(CC(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000195332316 402842561 /nfs/dbraw/zinc/84/25/61/402842561.db2.gz BZRCMJHVWLIKNJ-AWEZNQCLSA-N 1 0 313.401 2.026 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)Cc1cccc(F)c1 ZINC000175392589 402802358 /nfs/dbraw/zinc/80/23/58/402802358.db2.gz JPCPWSMNQLVUJP-OAHLLOKOSA-N 1 0 314.426 2.072 10 0 DEAERO C[C@@]1(CNC(=O)NCCCCO)CCC[N@@H+]1Cc1ccccc1 ZINC000194574667 402803259 /nfs/dbraw/zinc/80/32/59/402803259.db2.gz GLLIFRHXNCGEMJ-SFHVURJKSA-N 1 0 319.449 2.113 10 0 DEAERO CCC[C@@H](C(=O)NCc1cn(C)nc1-c1ccccc1)[NH+](C)C ZINC000183960609 402808865 /nfs/dbraw/zinc/80/88/65/402808865.db2.gz TWNJDMDTKWWADN-INIZCTEOSA-N 1 0 314.433 2.434 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N1CCC2(C1)CCCCC2 ZINC000175519060 402813414 /nfs/dbraw/zinc/81/34/14/402813414.db2.gz KLCHGAWZFIIZHT-UHFFFAOYSA-N 1 0 323.481 2.465 10 0 DEAERO COCC[N@H+](C)CCNC(=O)NCc1ccc(C(F)F)cc1 ZINC000184102822 402818465 /nfs/dbraw/zinc/81/84/65/402818465.db2.gz OOALTLSZIXFQQQ-UHFFFAOYSA-N 1 0 315.364 2.002 10 0 DEAERO CSCCCC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000175674410 402825129 /nfs/dbraw/zinc/82/51/29/402825129.db2.gz CIKOMIWNNNFXOW-UHFFFAOYSA-N 1 0 307.463 2.305 10 0 DEAERO Cc1ccc(CCC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000175832139 402836773 /nfs/dbraw/zinc/83/67/73/402836773.db2.gz LOKLKGUSONMLGW-UHFFFAOYSA-N 1 0 316.445 2.251 10 0 DEAERO CCn1cc(C2CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC2)cn1 ZINC000175148081 402783614 /nfs/dbraw/zinc/78/36/14/402783614.db2.gz NQYGWVCDSZUZHK-AWEZNQCLSA-N 1 0 306.454 2.338 10 0 DEAERO CCCOc1ccc(OCC[NH2+][C@H](C(=O)NC)C(C)C)cc1 ZINC000183639341 402784246 /nfs/dbraw/zinc/78/42/46/402784246.db2.gz VBHHDXVZUZMVFZ-INIZCTEOSA-N 1 0 308.422 2.214 10 0 DEAERO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)C)cc1)C(C)C ZINC000183643882 402784803 /nfs/dbraw/zinc/78/48/03/402784803.db2.gz KQBAOUSDLNLJBG-INIZCTEOSA-N 1 0 305.422 2.109 10 0 DEAERO CN(C)c1ccnc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000175188172 402786372 /nfs/dbraw/zinc/78/63/72/402786372.db2.gz MINKTNLUFJOLOS-UHFFFAOYSA-N 1 0 316.449 2.096 10 0 DEAERO Cc1ccc(C(=O)CCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195313670 402841815 /nfs/dbraw/zinc/84/18/15/402841815.db2.gz FIBHEWNQMYZGSO-MRXNPFEDSA-N 1 0 300.402 2.265 10 0 DEAERO CC(C)Oc1cccnc1C(=O)NCCC[NH+]1CCCCC1 ZINC000175974254 402845421 /nfs/dbraw/zinc/84/54/21/402845421.db2.gz HNFJJWPCSMDQPD-UHFFFAOYSA-N 1 0 305.422 2.475 10 0 DEAERO CCn1cc(C2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)cn1 ZINC000195499463 402847486 /nfs/dbraw/zinc/84/74/86/402847486.db2.gz RFKMDLSLICQONK-ZDUSSCGKSA-N 1 0 306.454 2.386 10 0 DEAERO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506363 402848017 /nfs/dbraw/zinc/84/80/17/402848017.db2.gz NWDWZNXCWNHLCI-AWEZNQCLSA-N 1 0 304.438 2.236 10 0 DEAERO C[C@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000176020625 402848335 /nfs/dbraw/zinc/84/83/35/402848335.db2.gz UFJOCLUZHKPRHF-KBPBESRZSA-N 1 0 309.454 2.212 10 0 DEAERO Cc1cccc(NC[C@@H]2CCN(c3cc(Cl)nc(N)n3)C2)[nH+]1 ZINC000195513669 402848839 /nfs/dbraw/zinc/84/88/39/402848839.db2.gz FYPYAKUIFASZDH-NSHDSACASA-N 1 0 318.812 2.354 10 0 DEAERO C[C@@H](CCc1cccn1C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000176032809 402849186 /nfs/dbraw/zinc/84/91/86/402849186.db2.gz MIIVFEZUQLKJNV-RDJZCZTQSA-N 1 0 316.449 2.002 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc2nnc(C(F)F)n2n1 ZINC000271358069 402862153 /nfs/dbraw/zinc/86/21/53/402862153.db2.gz OIZPDMXPGOGVSK-MNOVXSKESA-N 1 0 322.363 2.125 10 0 DEAERO c1nnc2c(NCc3ccc(C[NH+]4CCCC4)cc3)nccn12 ZINC000271495496 402876337 /nfs/dbraw/zinc/87/63/37/402876337.db2.gz KNHNOZBUWKWWRW-UHFFFAOYSA-N 1 0 308.389 2.332 10 0 DEAERO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ncnc2cc(Cl)ccc21 ZINC000264422551 402877222 /nfs/dbraw/zinc/87/72/22/402877222.db2.gz RJALRMAVWFVDHK-LBPRGKRZSA-N 1 0 319.840 2.331 10 0 DEAERO c1[nH]nc2c1CC[C@H](c1nc(-c3ccn4c[nH+]cc4c3)no1)C2 ZINC000279489195 402948386 /nfs/dbraw/zinc/94/83/86/402948386.db2.gz HPCRSMFVPKENTA-NSHDSACASA-N 1 0 306.329 2.380 10 0 DEAERO Brc1ccc(NCCCC[NH+]2CCOCC2)nc1 ZINC000265834788 402954799 /nfs/dbraw/zinc/95/47/99/402954799.db2.gz QXWAMVOZWWJAMW-UHFFFAOYSA-N 1 0 314.227 2.368 10 0 DEAERO CC(=O)c1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000265947332 402964316 /nfs/dbraw/zinc/96/43/16/402964316.db2.gz KBUNWJKECHIQAZ-SUMWQHHRSA-N 1 0 302.418 2.373 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)C12CCOCC2 ZINC000186271281 286290659 /nfs/dbraw/zinc/29/06/59/286290659.db2.gz WJOJPPJKOUTQRI-BSDSXHPESA-N 1 0 317.429 2.209 10 0 DEAERO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000566632042 292257850 /nfs/dbraw/zinc/25/78/50/292257850.db2.gz FKNZIPZIGMEKFX-HZPDHXFCSA-N 1 0 308.447 2.045 10 0 DEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1sccc1Br ZINC000282216293 403133103 /nfs/dbraw/zinc/13/31/03/403133103.db2.gz DRRVARWJVQKOHF-IONNQARKSA-N 1 0 303.225 2.267 10 0 DEAERO CN(C(=O)c1coc(Br)c1)C1CC[NH+](C)CC1 ZINC000298278513 403348965 /nfs/dbraw/zinc/34/89/65/403348965.db2.gz AIIJXVNWUPXEHO-UHFFFAOYSA-N 1 0 301.184 2.208 10 0 DEAERO Cc1cc(C)n(-c2cncc(NCC[NH+]3CCC(C)CC3)n2)n1 ZINC000301164361 403596637 /nfs/dbraw/zinc/59/66/37/403596637.db2.gz IBHWXRQNXBHNFE-UHFFFAOYSA-N 1 0 314.437 2.423 10 0 DEAERO Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000262029192 292278640 /nfs/dbraw/zinc/27/86/40/292278640.db2.gz 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c1cc(OCCCN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc2c1OCO2 ZINC000420397681 405343021 /nfs/dbraw/zinc/34/30/21/405343021.db2.gz MUOKHFCMZHLVOP-OKILXGFUSA-N 1 0 304.390 2.011 10 0 DEAERO Clc1cccc(Cl)c1OCCN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000420399565 405343712 /nfs/dbraw/zinc/34/37/12/405343712.db2.gz CFMSUYAWHMLTFS-QWHCGFSZSA-N 1 0 317.216 2.045 10 0 DEAERO c1cc(-c2noc(CN3CC[NH2+]C[C@H]3c3ccccc3)n2)co1 ZINC000420415261 405347332 /nfs/dbraw/zinc/34/73/32/405347332.db2.gz UYLXRVGRMBGAQR-HNNXBMFYSA-N 1 0 310.357 2.476 10 0 DEAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@]23CCOC3)cc1 ZINC000421014071 405429247 /nfs/dbraw/zinc/42/92/47/405429247.db2.gz GWMQZILVDJBQOF-QGZVFWFLSA-N 1 0 302.374 2.083 10 0 DEAERO Cc1csc([C@@H](C)NC(=O)Nc2ccnn2CC[NH+](C)C)n1 ZINC000455667819 405442551 /nfs/dbraw/zinc/44/25/51/405442551.db2.gz KKOLMJFDWSVCFA-LLVKDONJSA-N 1 0 322.438 2.092 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2OC)CC12COC2 ZINC000449363837 405524959 /nfs/dbraw/zinc/52/49/59/405524959.db2.gz MKPKUAIPHWXZNZ-HNNXBMFYSA-N 1 0 319.401 2.015 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1Br ZINC000638713217 405630869 /nfs/dbraw/zinc/63/08/69/405630869.db2.gz WLCUZRIIUIDYMJ-YUMQZZPRSA-N 1 0 321.240 2.165 10 0 DEAERO Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CCO[C@H]3C(C)C)cc12 ZINC000557833933 405631033 /nfs/dbraw/zinc/63/10/33/405631033.db2.gz VIHYZAYBFRYHBT-ZBFHGGJFSA-N 1 0 302.422 2.427 10 0 DEAERO c1cc(C[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)sn1 ZINC000638638884 405586795 /nfs/dbraw/zinc/58/67/95/405586795.db2.gz KTCWZBMZSAUOMD-INIZCTEOSA-N 1 0 317.458 2.176 10 0 DEAERO CC(=O)c1cccc(OCCCC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000638646357 405590840 /nfs/dbraw/zinc/59/08/40/405590840.db2.gz CDLWVEIWARTPMI-CZUORRHYSA-N 1 0 318.417 2.305 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)c2ccc(F)c(Br)c2)C[NH2+]1 ZINC000638650535 405594136 /nfs/dbraw/zinc/59/41/36/405594136.db2.gz BFJXKXPDDQGLGZ-WPRPVWTQSA-N 1 0 315.186 2.459 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000638757327 405651814 /nfs/dbraw/zinc/65/18/14/405651814.db2.gz LGSLNKKUAABIIS-LNLFQRSKSA-N 1 0 315.461 2.237 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(F)cc1Br ZINC000638771532 405659788 /nfs/dbraw/zinc/65/97/88/405659788.db2.gz PDVYTJWXUCTMDW-WRWORJQWSA-N 1 0 301.159 2.068 10 0 DEAERO CC[C@@H]1C[C@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638723708 405636870 /nfs/dbraw/zinc/63/68/70/405636870.db2.gz VXIUOCBPOHVKCU-IAGOWNOFSA-N 1 0 315.461 2.285 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000494385524 405687095 /nfs/dbraw/zinc/68/70/95/405687095.db2.gz KRGOWPVWLCRTNH-OAHLLOKOSA-N 1 0 304.434 2.359 10 0 DEAERO Cn1ccc(N2CCC[C@H]([NH2+][C@H]3CC[C@H]3C3CCC3)C2=O)n1 ZINC000558696370 405692182 /nfs/dbraw/zinc/69/21/82/405692182.db2.gz UHUGSZYLQONHLW-KKUMJFAQSA-N 1 0 302.422 2.084 10 0 DEAERO COC[C@@]1(CO)CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000449694509 405696072 /nfs/dbraw/zinc/69/60/72/405696072.db2.gz GSUOFTCKSQSMGD-AWEZNQCLSA-N 1 0 314.223 2.280 10 0 DEAERO CC(=O)c1ccc(CC(=O)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000638843656 405708689 /nfs/dbraw/zinc/70/86/89/405708689.db2.gz VWCPHHSYNGVFDO-UHFFFAOYSA-N 1 0 322.408 2.394 10 0 DEAERO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449729827 405714980 /nfs/dbraw/zinc/71/49/80/405714980.db2.gz BROBKHWZBGPSRC-UOJODKQESA-N 1 0 306.356 2.279 10 0 DEAERO CC[C@@H](C)[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)OC ZINC000494596563 405726537 /nfs/dbraw/zinc/72/65/37/405726537.db2.gz NBLXKHJIRKSNRO-KGLIPLIRSA-N 1 0 312.454 2.202 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c1 ZINC000636085892 405726760 /nfs/dbraw/zinc/72/67/60/405726760.db2.gz FPYJTKVRCNIHEW-JKSUJKDBSA-N 1 0 318.417 2.113 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c1C ZINC000636087319 405728290 /nfs/dbraw/zinc/72/82/90/405728290.db2.gz OUQKKFDCRJPTBA-CHWSQXEVSA-N 1 0 305.422 2.293 10 0 DEAERO CC(=O)c1ccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c(F)c1 ZINC000636097887 405737867 /nfs/dbraw/zinc/73/78/67/405737867.db2.gz LZEJDRORUVURTR-GJZGRUSLSA-N 1 0 306.381 2.487 10 0 DEAERO CC(C)Cn1ncc2cc(C(=O)NC(C)(C)C[NH+](C)C)cnc21 ZINC000457214588 405756950 /nfs/dbraw/zinc/75/69/50/405756950.db2.gz WZVFVWPBWMXEHV-UHFFFAOYSA-N 1 0 317.437 2.157 10 0 DEAERO Cc1ccccc1OCC[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000583619712 405776942 /nfs/dbraw/zinc/77/69/42/405776942.db2.gz QEKHMOMNGNMKNW-BRWVUGGUSA-N 1 0 305.418 2.236 10 0 DEAERO C[C@@H](CC1CCC1)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638994804 405808013 /nfs/dbraw/zinc/80/80/13/405808013.db2.gz OXYUMNWHIBQMRB-YOEHRIQHSA-N 1 0 303.450 2.141 10 0 DEAERO CCn1nncc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000459416343 405895164 /nfs/dbraw/zinc/89/51/64/405895164.db2.gz XGURSVTVEQOMIF-CRAIPNDOSA-N 1 0 313.449 2.298 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000457557498 405895740 /nfs/dbraw/zinc/89/57/40/405895740.db2.gz FNFBQORZGPSABG-CQSZACIVSA-N 1 0 318.417 2.195 10 0 DEAERO COc1cccc2c1ccnc2N1CCO[C@H](C[NH+](C)C)C1 ZINC000450321928 405833757 /nfs/dbraw/zinc/83/37/57/405833757.db2.gz WCBCFJYHOKJAIB-CYBMUJFWSA-N 1 0 301.390 2.010 10 0 DEAERO c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@@H]1CNCCO1)CCCC2 ZINC000423531130 405845513 /nfs/dbraw/zinc/84/55/13/405845513.db2.gz XOYDROQNQXJOHJ-WMZOPIPTSA-N 1 0 316.445 2.357 10 0 DEAERO CCCC[N@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1ccccc1F ZINC000459307953 405845724 /nfs/dbraw/zinc/84/57/24/405845724.db2.gz AMULTDVJEHZEHA-ZDUSSCGKSA-N 1 0 321.396 2.368 10 0 DEAERO CCn1nncc1C[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000459480411 405922406 /nfs/dbraw/zinc/92/24/06/405922406.db2.gz NUWHTSJFZWTYLS-GJZGRUSLSA-N 1 0 302.422 2.285 10 0 DEAERO O[C@H](C[NH2+]Cc1ccc(C2CCCC2)cc1)Cn1ccnn1 ZINC000459701994 406010187 /nfs/dbraw/zinc/01/01/87/406010187.db2.gz FNKQQCJMIYSCPM-QGZVFWFLSA-N 1 0 300.406 2.086 10 0 DEAERO c1ccc(N2CC[C@H](C[N@@H+]3CC[C@H](Nc4ncccn4)C3)C2)cc1 ZINC000639282098 406020097 /nfs/dbraw/zinc/02/00/97/406020097.db2.gz NDOBAGSYPDDHTE-SJORKVTESA-N 1 0 323.444 2.489 10 0 DEAERO c1nc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)cc2c1OCCO2 ZINC000639297283 406028742 /nfs/dbraw/zinc/02/87/42/406028742.db2.gz RHMYQBJMDLVJLR-RHSMWYFYSA-N 1 0 304.390 2.290 10 0 DEAERO Cc1cc(C[C@@H](C)NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[nH]n1 ZINC000531771043 406004692 /nfs/dbraw/zinc/00/46/92/406004692.db2.gz YJNBEFNIJIIAPJ-CYBMUJFWSA-N 1 0 321.469 2.165 10 0 DEAERO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCCN2CCCC2=O)C1 ZINC000532125039 406048213 /nfs/dbraw/zinc/04/82/13/406048213.db2.gz RZZSBXXAQMOWCG-OAHLLOKOSA-N 1 0 324.465 2.443 10 0 DEAERO CC(C)(O)C[N@H+](Cc1ccc2c(c1)OCCO2)C1CCOCC1 ZINC000533023653 406116349 /nfs/dbraw/zinc/11/63/49/406116349.db2.gz LQWMFTQBOVYXSF-UHFFFAOYSA-N 1 0 321.417 2.210 10 0 DEAERO CC[C@H]([NH2+]CCc1cncn1C)c1ccc2c(c1)OCCO2 ZINC000471770158 406117862 /nfs/dbraw/zinc/11/78/62/406117862.db2.gz MYJATBHOFWHJMC-HNNXBMFYSA-N 1 0 301.390 2.475 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc([C@@H]2CCCO2)no1 ZINC000634557671 406171241 /nfs/dbraw/zinc/17/12/41/406171241.db2.gz DJYHJGHQMRNAOX-KGLIPLIRSA-N 1 0 302.378 2.053 10 0 DEAERO c1nc2n(n1)[C@@H](C[N@H+]1CCC[C@@H]1Cn1cnc3ccccc31)CC2 ZINC000639563879 406148553 /nfs/dbraw/zinc/14/85/53/406148553.db2.gz CFXCPFBXHBAWIV-HUUCEWRRSA-N 1 0 322.416 2.280 10 0 DEAERO CC[N@@H+]1CCC[C@@H](CNCc2c(Br)cnn2C)C1 ZINC000486969739 406194968 /nfs/dbraw/zinc/19/49/68/406194968.db2.gz QAWURSQRMAHSPM-NSHDSACASA-N 1 0 315.259 2.004 10 0 DEAERO CC(=O)c1ccc(CC(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000632861729 406295527 /nfs/dbraw/zinc/29/55/27/406295527.db2.gz UNEZZGBSRLKFTL-IAGOWNOFSA-N 1 0 300.402 2.032 10 0 DEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000536831856 406278917 /nfs/dbraw/zinc/27/89/17/406278917.db2.gz ISTOYRDBEQRAIS-XDTLVQLUSA-N 1 0 300.196 2.250 10 0 DEAERO Cc1ccc(-n2ccnc2)c(C(=O)N(C)CCC[NH+](C)C)c1 ZINC000537215499 406285979 /nfs/dbraw/zinc/28/59/79/406285979.db2.gz IQNWLTHEYZLJCI-UHFFFAOYSA-N 1 0 300.406 2.204 10 0 DEAERO O=C(c1ccc(Br)cn1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632857204 406294003 /nfs/dbraw/zinc/29/40/03/406294003.db2.gz BLMCHHFUEDOVAH-GWCFXTLKSA-N 1 0 324.222 2.058 10 0 DEAERO O=C(c1occc1Br)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632858317 406294534 /nfs/dbraw/zinc/29/45/34/406294534.db2.gz LDLCXYKPXBLTJT-KOLCDFICSA-N 1 0 313.195 2.256 10 0 DEAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1c2ccccc2CC[C@H]1C ZINC000488719227 406341600 /nfs/dbraw/zinc/34/16/00/406341600.db2.gz NQXQGLUHTINUAI-IIAWOOMASA-N 1 0 302.418 2.057 10 0 DEAERO CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C)c1ccc(F)cc1 ZINC000488797546 406349008 /nfs/dbraw/zinc/34/90/08/406349008.db2.gz HZHCUAUZCQYXQF-SIIHOXLZSA-N 1 0 322.424 2.342 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000545227909 406304651 /nfs/dbraw/zinc/30/46/51/406304651.db2.gz YNZVSEZDYPYHTA-AEFFLSMTSA-N 1 0 321.465 2.143 10 0 DEAERO COC1CC[NH+](C2(CNc3ccncc3C#N)CCCC2)CC1 ZINC000547501779 406417775 /nfs/dbraw/zinc/41/77/75/406417775.db2.gz RLOMAAAORYECJK-UHFFFAOYSA-N 1 0 314.433 2.211 10 0 DEAERO C[C@@H](COCc1ccccc1)[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634965998 406376423 /nfs/dbraw/zinc/37/64/23/406376423.db2.gz YYNXAJJDAQXWNB-HOCLYGCPSA-N 1 0 311.447 2.149 10 0 DEAERO C1CC[NH+]([C@@H]2CCCCN(c3nc(C4CCOCC4)no3)C2)C1 ZINC000571144753 406482502 /nfs/dbraw/zinc/48/25/02/406482502.db2.gz OWUPWUQGOCTDOE-OAHLLOKOSA-N 1 0 320.437 2.418 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)NCC[N@H+]3CC[C@H](C)C3)cc2)c1 ZINC000524774615 406459248 /nfs/dbraw/zinc/45/92/48/406459248.db2.gz RHPAMRVKQJXTSB-AWEZNQCLSA-N 1 0 312.417 2.252 10 0 DEAERO CN(Cc1ccccc1Br)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637878191 406459315 /nfs/dbraw/zinc/45/93/15/406459315.db2.gz INAZKAGAUSXHAF-GFCCVEGCSA-N 1 0 309.207 2.455 10 0 DEAERO CN(Cc1ccsc1)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637891140 406465081 /nfs/dbraw/zinc/46/50/81/406465081.db2.gz ATLKVIPNAXHGJJ-MRXNPFEDSA-N 1 0 317.458 2.166 10 0 DEAERO C[C@@H]1CCCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000637971502 406502872 /nfs/dbraw/zinc/50/28/72/406502872.db2.gz WCKAOOCEEAUYQY-BFYDXBDKSA-N 1 0 303.450 2.093 10 0 DEAERO C[C@@H](NC(=O)c1cn2cccnc2n1)[C@H](c1ccccc1)[NH+](C)C ZINC000548432756 406514569 /nfs/dbraw/zinc/51/45/69/406514569.db2.gz XMOUUJGKVLTFOT-CZUORRHYSA-N 1 0 323.400 2.151 10 0 DEAERO CC[C@H](C)C[C@H](C)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638002293 406518239 /nfs/dbraw/zinc/51/82/39/406518239.db2.gz CRTHHPYPZCKSHL-YQQAZPJKSA-N 1 0 305.466 2.387 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cc(F)ccc1-n1cccn1 ZINC000527252214 406605187 /nfs/dbraw/zinc/60/51/87/406605187.db2.gz UAIYCLHVOWAGHC-UHFFFAOYSA-N 1 0 304.369 2.035 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H](CCF)C1 ZINC000638420929 406762558 /nfs/dbraw/zinc/76/25/58/406762558.db2.gz WKNXTOQJYBBGJV-IRXDYDNUSA-N 1 0 321.440 2.044 10 0 DEAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C)N1CCOCC1 ZINC000123468328 286876740 /nfs/dbraw/zinc/87/67/40/286876740.db2.gz YNSMASNFZLCMQJ-KBPBESRZSA-N 1 0 309.429 2.263 10 0 DEAERO CC[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000128872072 196000209 /nfs/dbraw/zinc/00/02/09/196000209.db2.gz QCOSIOCNRPEQHR-JKSUJKDBSA-N 1 0 309.454 2.214 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1F ZINC000246078992 287231563 /nfs/dbraw/zinc/23/15/63/287231563.db2.gz FRLIHXSSWMKRSI-OLZOCXBDSA-N 1 0 312.410 2.073 10 0 DEAERO COC(=O)c1c(NC(=O)[C@@H](C)CC[NH3+])sc2c1CCCC2 ZINC000129438655 196048928 /nfs/dbraw/zinc/04/89/28/196048928.db2.gz HMPNMNIMCYMEFI-VIFPVBQESA-N 1 0 310.419 2.337 10 0 DEAERO COc1ccc(Oc2ccc(C[NH3+])nn2)c(Br)c1 ZINC000129625400 196062909 /nfs/dbraw/zinc/06/29/09/196062909.db2.gz MXZHAKBDSRWUMP-UHFFFAOYSA-N 1 0 310.151 2.499 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Nc1ncc(Br)cc1C ZINC000129634799 196064195 /nfs/dbraw/zinc/06/41/95/196064195.db2.gz QZEFZLBAZCKTBH-SECBINFHSA-N 1 0 300.200 2.466 10 0 DEAERO COC[C@H](C)[NH2+]CCOc1ccc(OC)cc1Br ZINC000129642132 196064386 /nfs/dbraw/zinc/06/43/86/196064386.db2.gz GUAGEPGDZYZZRC-JTQLQIEISA-N 1 0 318.211 2.461 10 0 DEAERO C[C@H]([NH3+])c1ccc(Br)cc1Sc1nnnn1C ZINC000129818937 196077837 /nfs/dbraw/zinc/07/78/37/196077837.db2.gz IQZXBCAYUVHQSN-LURJTMIESA-N 1 0 314.212 2.144 10 0 DEAERO COc1ccc(C(N)=S)c(N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000130630670 196096786 /nfs/dbraw/zinc/09/67/86/196096786.db2.gz RPPPBHLLPSHBCF-LBPRGKRZSA-N 1 0 305.447 2.004 10 0 DEAERO CCn1ncnc1C[C@H]([NH3+])c1sccc1Br ZINC000130753089 196107289 /nfs/dbraw/zinc/10/72/89/196107289.db2.gz HTOJHRHFCLHEQT-QMMMGPOBSA-N 1 0 301.213 2.365 10 0 DEAERO CC[NH2+]C[C@@H]1COCCN1Cc1cc(Br)cs1 ZINC000130841117 196114830 /nfs/dbraw/zinc/11/48/30/196114830.db2.gz OSJWUCFWQGIJCZ-LLVKDONJSA-N 1 0 319.268 2.321 10 0 DEAERO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)CN2CCOCC2)c1C ZINC000130853656 196116046 /nfs/dbraw/zinc/11/60/46/196116046.db2.gz JUEOUNKVRPGKQB-MJGOQNOKSA-N 1 0 318.461 2.133 10 0 DEAERO Cc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c(Cl)cc1F ZINC000130880549 196119713 /nfs/dbraw/zinc/11/97/13/196119713.db2.gz WOMGMWBSNNCKEZ-LLVKDONJSA-N 1 0 314.788 2.190 10 0 DEAERO COCC[NH2+]C[C@H](C)NCc1cc(C)cc(Br)c1 ZINC000130907677 196121735 /nfs/dbraw/zinc/12/17/35/196121735.db2.gz WGNXJYAGPKACKQ-LBPRGKRZSA-N 1 0 315.255 2.472 10 0 DEAERO c1[nH]nc2cc(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)ccc12 ZINC000130977418 196128621 /nfs/dbraw/zinc/12/86/21/196128621.db2.gz RYZCOTWWPQCEEV-QGZVFWFLSA-N 1 0 314.433 2.250 10 0 DEAERO O=S1(=O)CCC(NC2=[NH+]CC3(CCCCC3)CS2)CC1 ZINC000131109220 196141045 /nfs/dbraw/zinc/14/10/45/196141045.db2.gz FCHQXCSHHOZGEA-UHFFFAOYSA-N 1 0 316.492 2.207 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000131128684 196142297 /nfs/dbraw/zinc/14/22/97/196142297.db2.gz BYLLLAUHQTYJRK-LBPRGKRZSA-N 1 0 309.353 2.400 10 0 DEAERO C[C@@H](CNS(=O)(=O)c1ccc(C[NH3+])cc1)c1ccccc1 ZINC000131162972 196145478 /nfs/dbraw/zinc/14/54/78/196145478.db2.gz ZEYSJBQZHNYSLJ-ZDUSSCGKSA-N 1 0 304.415 2.227 10 0 DEAERO C[NH2+][C@H](CCCS(C)(=O)=O)c1ccc(OC(F)F)cc1 ZINC000131201444 196149512 /nfs/dbraw/zinc/14/95/12/196149512.db2.gz FLTBESVOXSHEML-GFCCVEGCSA-N 1 0 307.362 2.373 10 0 DEAERO C[N@H+](CC(=O)Nc1ccc(Cl)c(N)c1)[C@H]1CCCC[C@@H]1O ZINC000131208010 196149543 /nfs/dbraw/zinc/14/95/43/196149543.db2.gz DLYYBRQNCKETHO-KBPBESRZSA-N 1 0 311.813 2.096 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccc1Br ZINC000131642716 196186883 /nfs/dbraw/zinc/18/68/83/196186883.db2.gz NKXZJHPDXJHWFU-SECBINFHSA-N 1 0 321.602 2.405 10 0 DEAERO C[S@](=O)CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000131652002 196188048 /nfs/dbraw/zinc/18/80/48/196188048.db2.gz QBNGZDYXCOIXAU-MRXNPFEDSA-N 1 0 308.216 2.446 10 0 DEAERO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2O)cc1C(N)=S ZINC000131717460 196193769 /nfs/dbraw/zinc/19/37/69/196193769.db2.gz QMEOUEGXCLCECD-KBPBESRZSA-N 1 0 308.447 2.065 10 0 DEAERO CC[NH+](CC)CCN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000131727101 196194359 /nfs/dbraw/zinc/19/43/59/196194359.db2.gz JZCQTGQYUXUXQU-UHFFFAOYSA-N 1 0 317.433 2.343 10 0 DEAERO C[NH2+]Cc1nnnn1-c1cc(Cl)c(C)cc1Br ZINC000131948765 196212253 /nfs/dbraw/zinc/21/22/53/196212253.db2.gz NTYXJPSWUFHHJS-UHFFFAOYSA-N 1 0 316.590 2.106 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2CCC([NH3+])CC2)c1 ZINC000131850129 196204065 /nfs/dbraw/zinc/20/40/65/196204065.db2.gz WYKNIVMJLMVUCO-MEDBZGDMSA-N 1 0 315.417 2.281 10 0 DEAERO CCC[NH2+][C@H](C)c1ccc(OCCS(C)(=O)=O)c(F)c1 ZINC000131872892 196206102 /nfs/dbraw/zinc/20/61/02/196206102.db2.gz XBLCFEDHNZIUBG-LLVKDONJSA-N 1 0 303.399 2.310 10 0 DEAERO CCCNc1nc(Cl)nc(N2CCC(C[NH+](C)C)CC2)n1 ZINC000131896902 196208388 /nfs/dbraw/zinc/20/83/88/196208388.db2.gz DFUSEGQBDDZPNY-UHFFFAOYSA-N 1 0 312.849 2.125 10 0 DEAERO Cc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1C(F)(F)F ZINC000132244246 196238598 /nfs/dbraw/zinc/23/85/98/196238598.db2.gz WBBCGBJWFSJISG-UHFFFAOYSA-N 1 0 302.296 2.460 10 0 DEAERO OCC[NH2+][C@@H]1CCCc2sc(I)cc21 ZINC000132258009 196239538 /nfs/dbraw/zinc/23/95/38/196239538.db2.gz SMNIZFDVZSWWKE-MRVPVSSYSA-N 1 0 323.199 2.312 10 0 DEAERO C[C@@H](CNC(=O)c1sc2cccnc2c1N)[NH+]1CCCC1 ZINC000132332301 196246016 /nfs/dbraw/zinc/24/60/16/196246016.db2.gz VDZUVJWFWLZTQH-JTQLQIEISA-N 1 0 304.419 2.093 10 0 DEAERO CC[S@@](=O)CC[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000132495095 196259991 /nfs/dbraw/zinc/25/99/91/196259991.db2.gz QPGYHOLOGYSGRC-NRFANRHFSA-N 1 0 322.352 2.046 10 0 DEAERO COC[C@H](C)[C@@H]1C[NH+]=C(N)N1c1ccccc1Br ZINC000132495426 196260127 /nfs/dbraw/zinc/26/01/27/196260127.db2.gz QBXVUFJKMUSSAW-CABZTGNLSA-N 1 0 312.211 2.235 10 0 DEAERO C[C@@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)[C@H]1CC[NH2+]C1 ZINC000132504433 196260408 /nfs/dbraw/zinc/26/04/08/196260408.db2.gz QGBLPAFTIHXJKK-RITPCOANSA-N 1 0 308.250 2.110 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CSCCS1 ZINC000132579402 196267488 /nfs/dbraw/zinc/26/74/88/196267488.db2.gz LFSOKGOTPKXAIM-LSDHHAIUSA-N 1 0 324.515 2.124 10 0 DEAERO Cc1cc(F)ccc1CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000132676070 196275252 /nfs/dbraw/zinc/27/52/52/196275252.db2.gz CBHAMQYBXCDXFV-KRWDZBQOSA-N 1 0 317.408 2.332 10 0 DEAERO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](CCn2ccnc2)C1 ZINC000132759645 196281226 /nfs/dbraw/zinc/28/12/26/196281226.db2.gz ZHMFCFYZPFOLMN-IAGOWNOFSA-N 1 0 313.401 2.162 10 0 DEAERO C[C@H]([NH2+]CCn1c(=O)cccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000132826697 196287672 /nfs/dbraw/zinc/28/76/72/196287672.db2.gz WDGGJKOBRVVWGR-QWRGUYRKSA-N 1 0 304.312 2.024 10 0 DEAERO C[NH+](C)C1CCN(CCc2nc(-c3ccccc3)no2)CC1 ZINC000132968716 196299957 /nfs/dbraw/zinc/29/99/57/196299957.db2.gz HGVUAUUUAWIGTM-UHFFFAOYSA-N 1 0 300.406 2.305 10 0 DEAERO CCOCc1nc(NCCCCC(F)(F)F)cc(NN)[nH+]1 ZINC000133136321 196315052 /nfs/dbraw/zinc/31/50/52/196315052.db2.gz NBIIPSMGWLWEKV-UHFFFAOYSA-N 1 0 307.320 2.443 10 0 DEAERO COC(=O)c1cc(NC(=O)CCC[C@@H](C)[NH3+])c(F)cc1F ZINC000133292085 196327748 /nfs/dbraw/zinc/32/77/48/196327748.db2.gz FFLLJMPNWMLOFU-MRVPVSSYSA-N 1 0 300.305 2.207 10 0 DEAERO CCC[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2C)C1 ZINC000133297282 196328625 /nfs/dbraw/zinc/32/86/25/196328625.db2.gz XZMAAOVNGWHKNN-CQSZACIVSA-N 1 0 314.426 2.287 10 0 DEAERO CCC[NH2+][C@@H](CSc1n[nH]c(=O)n1CCC)[C@@H](C)CC ZINC000133321638 196329103 /nfs/dbraw/zinc/32/91/03/196329103.db2.gz IVMBZIIQQWLEEG-RYUDHWBXSA-N 1 0 300.472 2.488 10 0 DEAERO CCC[NH2+][C@@H](CSc1n[nH]c(=O)n1CCC)[C@H](C)CC ZINC000133322045 196329427 /nfs/dbraw/zinc/32/94/27/196329427.db2.gz IVMBZIIQQWLEEG-NEPJUHHUSA-N 1 0 300.472 2.488 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)N[C@](C)(C[NH3+])C2CC2)cc1 ZINC000133752770 196333787 /nfs/dbraw/zinc/33/37/87/196333787.db2.gz RNGUFUKLDVJPDY-MRXNPFEDSA-N 1 0 310.463 2.291 10 0 DEAERO C[S@@](=O)CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000133788820 196335880 /nfs/dbraw/zinc/33/58/80/196335880.db2.gz FZNLYBSYMCUOGT-WBMJQRKESA-N 1 0 302.237 2.405 10 0 DEAERO CC[NH2+][C@@H](c1c(Br)cnn1C)[C@@H]1CCCCO1 ZINC000133802720 196336325 /nfs/dbraw/zinc/33/63/25/196336325.db2.gz ODKNQRKABHQCGX-WDEREUQCSA-N 1 0 302.216 2.402 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)CCC2 ZINC000133952015 196348960 /nfs/dbraw/zinc/34/89/60/196348960.db2.gz ARLAHZJULHCRIZ-GOEBONIOSA-N 1 0 309.431 2.239 10 0 DEAERO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)/C=C/c1ccccc1 ZINC000134071488 196359262 /nfs/dbraw/zinc/35/92/62/196359262.db2.gz GXLZVRTWDCCJKZ-HKFUTYSHSA-N 1 0 308.447 2.484 10 0 DEAERO COc1c(NCc2cccc(Br)c2)nc[nH+]c1NN ZINC000134973901 196435481 /nfs/dbraw/zinc/43/54/81/196435481.db2.gz ZNCSFSFXMHOJQS-UHFFFAOYSA-N 1 0 324.182 2.145 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1(CCO)CC1 ZINC000190238963 225078332 /nfs/dbraw/zinc/07/83/32/225078332.db2.gz BRJWVUZBMMUPEB-HNNXBMFYSA-N 1 0 311.470 2.103 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000194055534 225173575 /nfs/dbraw/zinc/17/35/75/225173575.db2.gz UQWCWBARAQVGMM-GDBMZVCRSA-N 1 0 317.433 2.361 10 0 DEAERO COCCN(CC[NH+](C)C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194317556 225177750 /nfs/dbraw/zinc/17/77/50/225177750.db2.gz XUBXBZFCNSPSBI-UHFFFAOYSA-N 1 0 304.394 2.210 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)CCc2cccs2)CC[N@@H+]1C ZINC000195384115 225203386 /nfs/dbraw/zinc/20/33/86/225203386.db2.gz ZCPWSSPSNHCOFM-STQMWFEESA-N 1 0 316.492 2.035 10 0 DEAERO c1ccc(CN(CCOCC2CC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000261660460 225253522 /nfs/dbraw/zinc/25/35/22/225253522.db2.gz NRMGPZBOYDVYQQ-GOSISDBHSA-N 1 0 303.450 2.452 10 0 DEAERO c1nnc(NCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000296662587 226099285 /nfs/dbraw/zinc/09/92/85/226099285.db2.gz YPFYUQLGTMCWNX-UHFFFAOYSA-N 1 0 317.462 2.158 10 0 DEAERO C[C@H]([NH2+]C1CCS(=O)(=O)CC1)c1cccc(-n2ccnc2)c1 ZINC000291104673 222141228 /nfs/dbraw/zinc/14/12/28/222141228.db2.gz JSKUWEMZIPPUAH-ZDUSSCGKSA-N 1 0 319.430 2.100 10 0 DEAERO Cc1csc([C@H]2CCCN(c3cc[nH+]cc3C(N)=O)C2)n1 ZINC000302127284 230109958 /nfs/dbraw/zinc/10/99/58/230109958.db2.gz AYNBDHRREYFSEC-NSHDSACASA-N 1 0 302.403 2.329 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)N2CCCc3ccccc32)c1 ZINC000105881080 424849226 /nfs/dbraw/zinc/84/92/26/424849226.db2.gz JIWGDTKNVSIHBN-HNNXBMFYSA-N 1 0 312.417 2.149 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000105881159 424849409 /nfs/dbraw/zinc/84/94/09/424849409.db2.gz UZTBJQLSEZCOBG-LBPRGKRZSA-N 1 0 306.797 2.462 10 0 DEAERO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886190 424849414 /nfs/dbraw/zinc/84/94/14/424849414.db2.gz PWBNEHXTLKHYDU-RDJZCZTQSA-N 1 0 318.465 2.290 10 0 DEAERO COc1cc(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1O ZINC000193191763 424867605 /nfs/dbraw/zinc/86/76/05/424867605.db2.gz CMRPPYDFGPABJP-AWEZNQCLSA-N 1 0 323.437 2.176 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1Cc2ccccc21 ZINC000193696282 424870620 /nfs/dbraw/zinc/87/06/20/424870620.db2.gz IKBFJBSECKREKX-HOCLYGCPSA-N 1 0 301.434 2.500 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000193807384 424870947 /nfs/dbraw/zinc/87/09/47/424870947.db2.gz ZKECOGIIOFWXLL-WBVHZDCISA-N 1 0 307.482 2.194 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)c1n[nH]c2c1CCCC2)c1ccccc1 ZINC000126741894 424856186 /nfs/dbraw/zinc/85/61/86/424856186.db2.gz LWIZGNQSWPUYJK-MRXNPFEDSA-N 1 0 312.417 2.321 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CN(CCOc2c(Cl)cccc2Cl)CCO1 ZINC000128549199 424856526 /nfs/dbraw/zinc/85/65/26/424856526.db2.gz SQUKNWUOGRVBPH-ZWNOBZJWSA-N 1 0 319.232 2.420 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000129196322 424857379 /nfs/dbraw/zinc/85/73/79/424857379.db2.gz BYUATSROISKMQV-LLVKDONJSA-N 1 0 320.393 2.206 10 0 DEAERO CC[C@@H](C)n1nc(NC(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000333145896 424919507 /nfs/dbraw/zinc/91/95/07/424919507.db2.gz LVARWFSRPNZTIF-TZMCWYRMSA-N 1 0 307.442 2.768 10 0 DEAERO O[C@]1(CC[NH2+]Cc2cccc(Br)c2)CCOC1 ZINC000404190959 424926020 /nfs/dbraw/zinc/92/60/20/424926020.db2.gz FHWZOUKTSSMJIP-CYBMUJFWSA-N 1 0 300.196 2.080 10 0 DEAERO [NH3+]CC1(CCNC(=O)c2ccc(Br)s2)CC1 ZINC000404748063 424929355 /nfs/dbraw/zinc/92/93/55/424929355.db2.gz BSGBVOFVPXZEHH-UHFFFAOYSA-N 1 0 303.225 2.369 10 0 DEAERO CNc1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000373839301 424887813 /nfs/dbraw/zinc/88/78/13/424887813.db2.gz NCIYDHYIWGHFCI-ZDUSSCGKSA-N 1 0 322.478 2.712 10 0 DEAERO Nc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)ccn1 ZINC000373899117 424888428 /nfs/dbraw/zinc/88/84/28/424888428.db2.gz UJXXXWMTTCDJLO-INIZCTEOSA-N 1 0 316.449 2.278 10 0 DEAERO COc1cc(C[NH2+]C2CC(CO)C2)cc(Br)c1O ZINC000657808533 425405368 /nfs/dbraw/zinc/40/53/68/425405368.db2.gz KDYCYOBMIOWIOU-UHFFFAOYSA-N 1 0 316.195 2.024 10 0 DEAERO C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(C)(C)C ZINC000172808778 267467186 /nfs/dbraw/zinc/46/71/86/267467186.db2.gz KWXQTUNAATZVGX-OAHLLOKOSA-N 1 0 318.465 2.145 10 0 DEAERO CCc1cnc(CCNC(=O)N(CC)CCC[NH+](C)C)s1 ZINC000189807530 267695772 /nfs/dbraw/zinc/69/57/72/267695772.db2.gz QYKUBOWUUKFTPH-UHFFFAOYSA-N 1 0 312.483 2.231 10 0 DEAERO CN(C(=O)CSc1ccc(F)cc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662977428 425770044 /nfs/dbraw/zinc/77/00/44/425770044.db2.gz UAZZGNLBALEYPV-JTQLQIEISA-N 1 0 310.316 2.266 10 0 DEAERO CN(C(=O)c1occc1Br)[C@@H](C[NH3+])C(F)(F)F ZINC000662982636 425771807 /nfs/dbraw/zinc/77/18/07/425771807.db2.gz JHNULZMPBSKLCG-LURJTMIESA-N 1 0 315.089 2.004 10 0 DEAERO OCC1CC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000663374111 425833340 /nfs/dbraw/zinc/83/33/40/425833340.db2.gz DQKFORNFGCSGLH-VQXHTEKXSA-N 1 0 320.216 2.094 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000333303647 268923251 /nfs/dbraw/zinc/92/32/51/268923251.db2.gz KQYYHEAXGMQXLL-AAEUAGOBSA-N 1 0 305.426 2.421 10 0 DEAERO O=C(Nc1ccc(C2CCC2)cn1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333309115 268923998 /nfs/dbraw/zinc/92/39/98/268923998.db2.gz LIKHLVZEJMVZGW-GJZGRUSLSA-N 1 0 300.406 2.422 10 0 DEAERO O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333447566 268947769 /nfs/dbraw/zinc/94/77/69/268947769.db2.gz WZDSMTXQMKIDGJ-QAPCUYQASA-N 1 0 315.417 2.295 10 0 DEAERO Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cs1 ZINC000333649199 268970689 /nfs/dbraw/zinc/97/06/89/268970689.db2.gz JNAROWBNNDEUKG-MPKXVKKWSA-N 1 0 308.451 2.296 10 0 DEAERO CC(C)[C@@H]1N(C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@@]12CCCO2 ZINC000333891057 269000569 /nfs/dbraw/zinc/00/05/69/269000569.db2.gz YFVNGHBEIKEDFC-ZOBUZTSGSA-N 1 0 309.454 2.103 10 0 DEAERO CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000333898257 269001807 /nfs/dbraw/zinc/00/18/07/269001807.db2.gz ZJQJEVFUJXOBRH-UHFFFAOYSA-N 1 0 321.808 2.267 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)c1csnn1)CC2 ZINC000334110142 269019893 /nfs/dbraw/zinc/01/98/93/269019893.db2.gz BBIDETNRZLPXJA-UPJWGTAASA-N 1 0 323.466 2.256 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)C1 ZINC000334110196 269020099 /nfs/dbraw/zinc/02/00/99/269020099.db2.gz BDAOKGJBHDMDPI-OLZOCXBDSA-N 1 0 321.425 2.134 10 0 DEAERO Clc1cnc(NC[C@@H]2C[NH2+]CCCO2)c(Br)c1 ZINC000390229806 269097056 /nfs/dbraw/zinc/09/70/56/269097056.db2.gz PBYJFGCKWPLSJK-VIFPVBQESA-N 1 0 320.618 2.288 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCN2CC=CCC2)C1 ZINC000392294893 269099240 /nfs/dbraw/zinc/09/92/40/269099240.db2.gz QGOBWJZAJJCVCA-INIZCTEOSA-N 1 0 323.481 2.485 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000396751502 269104504 /nfs/dbraw/zinc/10/45/04/269104504.db2.gz SZEDCMDLGGHRLN-JTQLQIEISA-N 1 0 313.195 2.271 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(C)s1 ZINC000397289549 269105465 /nfs/dbraw/zinc/10/54/65/269105465.db2.gz WIBZGGNAQVIGKT-KWBADKCTSA-N 1 0 316.492 2.359 10 0 DEAERO [NH3+][C@@H](C(=O)NCc1ccccc1OC(F)(F)F)C1CCC1 ZINC000398988890 269110860 /nfs/dbraw/zinc/11/08/60/269110860.db2.gz JDCTWHAAXXLQLJ-GFCCVEGCSA-N 1 0 302.296 2.329 10 0 DEAERO O=S1(=O)CCCN1CC[NH2+][C@H]1CCCC12CCCCC2 ZINC000405440255 269112905 /nfs/dbraw/zinc/11/29/05/269112905.db2.gz IKKZCKYIOQNEQO-AWEZNQCLSA-N 1 0 300.468 2.115 10 0 DEAERO Cc1noc(CN2CC[NH+](C[C@H]3C(C)=CCC[C@H]3C)CC2)n1 ZINC000443404525 269137443 /nfs/dbraw/zinc/13/74/43/269137443.db2.gz GHBGWMOTDOPZDY-ZBFHGGJFSA-N 1 0 304.438 2.488 10 0 DEAERO C([NH2+][C@@H]1CCCC[C@H]1C1CC1)C1(N2CCOCC2)CCOCC1 ZINC000459720283 275395091 /nfs/dbraw/zinc/39/50/91/275395091.db2.gz UOMRMBWGCXEVRK-ZWKOTPCHSA-N 1 0 322.493 2.426 10 0 DEAERO CC1(C)CN(CC(=O)N2CCSc3ccccc32)CC[C@@H]1[NH3+] ZINC000262498979 275844303 /nfs/dbraw/zinc/84/43/03/275844303.db2.gz LTWGEPNWSJOHRN-HNNXBMFYSA-N 1 0 319.474 2.185 10 0 DEAERO CC[NH+](CC)CCCN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000191573464 276096100 /nfs/dbraw/zinc/09/61/00/276096100.db2.gz DJOAJBGFANGODG-CYBMUJFWSA-N 1 0 310.467 2.278 10 0 DEAERO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000134431930 276109314 /nfs/dbraw/zinc/10/93/14/276109314.db2.gz LCFGRANSKRXDPA-KGLIPLIRSA-N 1 0 304.438 2.020 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(F)cc1F ZINC000177707507 276169338 /nfs/dbraw/zinc/16/93/38/276169338.db2.gz QDACNUYNBWVJNF-CYBMUJFWSA-N 1 0 311.376 2.319 10 0 DEAERO CCC[C@@H](C(=O)NC[C@H]1COC2(CCC(C)CC2)O1)[NH+](C)C ZINC000180871430 276268849 /nfs/dbraw/zinc/26/88/49/276268849.db2.gz KYJSIJLLIJMJCD-GWUWNPHMSA-N 1 0 312.454 2.155 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CC3)CC2)C12CCOCC2 ZINC000186220390 276351605 /nfs/dbraw/zinc/35/16/05/276351605.db2.gz KGWONEBAEQDKCS-DLBZAZTESA-N 1 0 308.466 2.177 10 0 DEAERO CCOc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(N)=O)CC1)CCO2 ZINC000178178639 276377832 /nfs/dbraw/zinc/37/78/32/276377832.db2.gz JHSVMOMJUGWGHY-OAHLLOKOSA-N 1 0 319.405 2.042 10 0 DEAERO CCOC(C)(C)CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000187242922 276448187 /nfs/dbraw/zinc/44/81/87/276448187.db2.gz PSIYRKJTRIRWGC-OAHLLOKOSA-N 1 0 307.438 2.404 10 0 DEAERO Cn1c2ccc(CN3CCC[C@H]([NH+](C)C)C3)cc2sc1=O ZINC000195003859 276870039 /nfs/dbraw/zinc/87/00/39/276870039.db2.gz JGNXDQGWOYZPTB-ZDUSSCGKSA-N 1 0 305.447 2.126 10 0 DEAERO CN(C)c1nc2sc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2s1 ZINC000170864933 276896932 /nfs/dbraw/zinc/89/69/32/276896932.db2.gz ZSUGLYLWDVFVSD-VIFPVBQESA-N 1 0 324.475 2.200 10 0 DEAERO CC(=O)N1CCC2(CC[NH+](Cc3ccccc3)CC2)[C@@H](CO)C1 ZINC000097402361 276959688 /nfs/dbraw/zinc/95/96/88/276959688.db2.gz PGONYLAWLZQJEU-GOSISDBHSA-N 1 0 316.445 2.130 10 0 DEAERO CN(c1cccnn1)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105806686 277003326 /nfs/dbraw/zinc/00/33/26/277003326.db2.gz GCWKCYAULHMKBC-QGZVFWFLSA-N 1 0 312.417 2.111 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(c3ncncc3Br)CC[C@H]21 ZINC000227347129 277085260 /nfs/dbraw/zinc/08/52/60/277085260.db2.gz IYRWQSFSNIODFH-CMPLNLGQSA-N 1 0 311.227 2.160 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000371232778 277101523 /nfs/dbraw/zinc/10/15/23/277101523.db2.gz UXVCVDBABGANNY-CABCVRRESA-N 1 0 317.433 2.438 10 0 DEAERO CC(=O)c1ccccc1OCC[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000412088855 277115892 /nfs/dbraw/zinc/11/58/92/277115892.db2.gz SPHFOZHJXNINIA-OAHLLOKOSA-N 1 0 318.417 2.257 10 0 DEAERO COc1ccsc1[C@H](C)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000372113597 277476354 /nfs/dbraw/zinc/47/63/54/277476354.db2.gz SUJSETSQDPOHGI-AAEUAGOBSA-N 1 0 324.446 2.187 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H]1c2ccccc2NC1=O ZINC000126818880 277477850 /nfs/dbraw/zinc/47/78/50/277477850.db2.gz UDLPVLFBCKBIBB-UKRRQHHQSA-N 1 0 317.433 2.205 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000415271978 277968529 /nfs/dbraw/zinc/96/85/29/277968529.db2.gz QRYDFWCPDMJEFR-GFCCVEGCSA-N 1 0 306.410 2.308 10 0 DEAERO COc1cccc([C@H](C)N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262114012 278021209 /nfs/dbraw/zinc/02/12/09/278021209.db2.gz WRYZZXLSHADQIF-QFBILLFUSA-N 1 0 317.477 2.373 10 0 DEAERO C[C@H](C[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O)Cc1ccccc1 ZINC000182076653 278208276 /nfs/dbraw/zinc/20/82/76/278208276.db2.gz PEFCVHSKBZLOJE-UAGQMJEPSA-N 1 0 324.490 2.173 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000251954308 279065325 /nfs/dbraw/zinc/06/53/25/279065325.db2.gz YJJMNORLJVJOFF-YVSFHVDLSA-N 1 0 323.481 2.458 10 0 DEAERO CC(C)C[C@H](C)C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000184827566 279082911 /nfs/dbraw/zinc/08/29/11/279082911.db2.gz XFBFIFSOMGOCAC-DLBZAZTESA-N 1 0 309.498 2.297 10 0 DEAERO Cc1nc2cc(F)ccc2cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170857113 279121453 /nfs/dbraw/zinc/12/14/53/279121453.db2.gz JKBXSDMCBYLHKB-CQSZACIVSA-N 1 0 301.365 2.458 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000178563311 279127867 /nfs/dbraw/zinc/12/78/67/279127867.db2.gz MQVCRHQYLWPNSZ-VYDXJSESSA-N 1 0 313.486 2.203 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)COC)c1cccc(OC)c1 ZINC000103362473 279163930 /nfs/dbraw/zinc/16/39/30/279163930.db2.gz ZCULCLSKBCROSI-WMLDXEAASA-N 1 0 322.449 2.477 10 0 DEAERO C[C@H](C(=O)N1CCc2cc(Br)ccc21)C1C[NH2+]C1 ZINC000262175123 279205494 /nfs/dbraw/zinc/20/54/94/279205494.db2.gz KMNJVCLVHVKNET-VIFPVBQESA-N 1 0 309.207 2.194 10 0 DEAERO Clc1ccc2[nH]c(-c3ccc(N4CC[NH2+]CC4)nn3)nc2c1 ZINC000165553875 279293821 /nfs/dbraw/zinc/29/38/21/279293821.db2.gz AGTVTJKSWQZHDE-UHFFFAOYSA-N 1 0 314.780 2.083 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCn3nc(COC)nc32)C1(C)C ZINC000245948202 279881420 /nfs/dbraw/zinc/88/14/20/279881420.db2.gz VZYGMDKYTGTPDH-RWMBFGLXSA-N 1 0 308.426 2.053 10 0 DEAERO CCS(=O)(=O)NCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000109324670 280026466 /nfs/dbraw/zinc/02/64/66/280026466.db2.gz MHVIZNIPUGLNRR-AWEZNQCLSA-N 1 0 316.854 2.320 10 0 DEAERO Cc1cc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2C)c(C)o1 ZINC000290692501 280288801 /nfs/dbraw/zinc/28/88/01/280288801.db2.gz HYNLLKDJDVRTCD-RISCZKNCSA-N 1 0 315.421 2.365 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@H](C)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000182579284 280375214 /nfs/dbraw/zinc/37/52/14/280375214.db2.gz TWSYWBKKFHYZCR-BFYDXBDKSA-N 1 0 304.434 2.094 10 0 DEAERO Cc1cc(C)c(N2CC[C@H]([NH2+][C@H]3CCO[C@@H]3C)C2=O)c(C)c1 ZINC000189456329 280388311 /nfs/dbraw/zinc/38/83/11/280388311.db2.gz QJBMTILOHKMQSC-PMPSAXMXSA-N 1 0 302.418 2.484 10 0 DEAERO CC[C@H]1CN(CCc2ccc(OC)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247178773 281168693 /nfs/dbraw/zinc/16/86/93/281168693.db2.gz NKGJYNLGUOBCMR-RDJZCZTQSA-N 1 0 306.450 2.015 10 0 DEAERO C[C@@H]1COCCN1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000249097568 288344045 /nfs/dbraw/zinc/34/40/45/288344045.db2.gz VTEKTHSYECSPHC-NZSAHSFTSA-N 1 0 318.461 2.295 10 0 DEAERO C[C@H]1CCCC[C@H]1N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000128699061 281892400 /nfs/dbraw/zinc/89/24/00/281892400.db2.gz YARRHZSCAZFPSK-JKSUJKDBSA-N 1 0 311.470 2.319 10 0 DEAERO Cc1[nH+]c2ccccc2c(N2CC[C@](O)(c3cn[nH]n3)C2)c1C ZINC000284618925 282074469 /nfs/dbraw/zinc/07/44/69/282074469.db2.gz SJAGTJLYVFOUBL-QGZVFWFLSA-N 1 0 309.373 2.068 10 0 DEAERO CCn1cc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)cn1 ZINC000159133389 288704647 /nfs/dbraw/zinc/70/46/47/288704647.db2.gz WYIPRWOGSIXLIN-PBHICJAKSA-N 1 0 314.433 2.253 10 0 DEAERO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000246955714 289362023 /nfs/dbraw/zinc/36/20/23/289362023.db2.gz JLKUOAVMYAFSCO-DAUWQXBBSA-N 1 0 308.466 2.163 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000262738140 289776582 /nfs/dbraw/zinc/77/65/82/289776582.db2.gz GYMTXVROVWKNOS-XEGUGMAKSA-N 1 0 308.809 2.372 10 0 DEAERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)[C@H]1CCCO1 ZINC000252437755 290057532 /nfs/dbraw/zinc/05/75/32/290057532.db2.gz XKGWQNFWQXOGFJ-LEWSCRJBSA-N 1 0 313.394 2.201 10 0 DEAERO Cc1csc2c1ncnc2NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192496301 293070185 /nfs/dbraw/zinc/07/01/85/293070185.db2.gz LAHGZHIDEOEQTF-GFCCVEGCSA-N 1 0 306.435 2.258 10 0 DEAERO Cc1n[nH]cc1C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000092849191 293138312 /nfs/dbraw/zinc/13/83/12/293138312.db2.gz LNWUQYOBIKBAIO-HOCLYGCPSA-N 1 0 318.808 2.433 10 0 DEAERO Cc1nccn1C[C@H]1CCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194726011 293655557 /nfs/dbraw/zinc/65/55/57/293655557.db2.gz UNWYNCZVGWNULU-QGZVFWFLSA-N 1 0 316.449 2.057 10 0 DEAERO [NH3+][C@@H]1Cc2ccccc2N(S(=O)(=O)CCCC(F)(F)F)C1 ZINC000211854812 295326192 /nfs/dbraw/zinc/32/61/92/295326192.db2.gz KFLWOCYETLKYMS-LLVKDONJSA-N 1 0 322.352 2.049 10 0 DEAERO [NH3+][C@H](C(=O)NCCC12CC3CC(CC(C3)C1)C2)C1CCOCC1 ZINC000261915705 295328728 /nfs/dbraw/zinc/32/87/28/295328728.db2.gz YBJPYHWEJPFNQK-QBNKABOXSA-N 1 0 320.477 2.463 10 0 DEAERO C[C@H](C(=O)N1CCCc2ccccc21)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261711418 298045928 /nfs/dbraw/zinc/04/59/28/298045928.db2.gz MMXWUDPTUZIXTQ-PBHICJAKSA-N 1 0 315.461 2.414 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccnc1C(F)(F)F ZINC000252736436 300318909 /nfs/dbraw/zinc/31/89/09/300318909.db2.gz VOFKMGOYHGFVSF-QWRGUYRKSA-N 1 0 313.323 2.409 10 0 DEAERO C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NCCC[NH3+] ZINC000237588724 300548313 /nfs/dbraw/zinc/54/83/13/300548313.db2.gz WWPOTLHUSDWZSU-ZDUSSCGKSA-N 1 0 313.401 2.309 10 0 DEAERO Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1C ZINC000086468752 301176424 /nfs/dbraw/zinc/17/64/24/301176424.db2.gz OAEAHNCBPSGBBF-OLZOCXBDSA-N 1 0 310.463 2.291 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(Cl)cc1F ZINC000193399895 301399528 /nfs/dbraw/zinc/39/95/28/301399528.db2.gz XTEAGIINMUMSMZ-QPUJVOFHSA-N 1 0 320.817 2.064 10 0 DEAERO c1ccc(-c2nc([C@H]3CCCN3C[C@@H]3COCCO3)n[nH]2)cc1 ZINC000574898180 326198194 /nfs/dbraw/zinc/19/81/94/326198194.db2.gz IIUQZRCJSRBZNM-HUUCEWRRSA-N 1 0 314.389 2.024 10 0 DEAERO Brc1ccn2cc(CNCCC[NH+]3CCC3)nc2c1 ZINC000576957989 326332898 /nfs/dbraw/zinc/33/28/98/326332898.db2.gz VHYLLDSCQMIEAP-UHFFFAOYSA-N 1 0 323.238 2.282 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(F)ccc2Cl)C[C@@H]1C ZINC000188955831 333059490 /nfs/dbraw/zinc/05/94/90/333059490.db2.gz GXQQIJYNEBHXEO-NWDGAFQWSA-N 1 0 300.805 2.366 10 0 DEAERO C[C@@H]1CCN(C(=O)c2coc(Br)c2)C[C@@H]1C[NH3+] ZINC000378894561 333060897 /nfs/dbraw/zinc/06/08/97/333060897.db2.gz BPKWKXYHKCVVKT-SCZZXKLOSA-N 1 0 301.184 2.099 10 0 DEAERO COC[C@H](C)C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000189592844 333151057 /nfs/dbraw/zinc/15/10/57/333151057.db2.gz SYBYXXYXUAPTPS-CYBMUJFWSA-N 1 0 303.406 2.249 10 0 DEAERO 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NLXKNRMSKDTVSK-BLLLJJGKSA-N 1 0 303.406 2.104 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)C[C@H]2CCCOC2)CC1 ZINC000107842500 519842365 /nfs/dbraw/zinc/84/23/65/519842365.db2.gz TWQUEFQOZKEUKT-MRXNPFEDSA-N 1 0 311.470 2.176 10 0 DEAERO CCCOc1cc(CN2CCO[C@@H](C[NH+](C)C)C2)ccc1OC ZINC000128213110 520306093 /nfs/dbraw/zinc/30/60/93/520306093.db2.gz JVSWGSLYHAUAGS-INIZCTEOSA-N 1 0 322.449 2.246 10 0 DEAERO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000105897268 520648611 /nfs/dbraw/zinc/64/86/11/520648611.db2.gz LCJLKVIEKQWQAT-CABCVRRESA-N 1 0 306.454 2.387 10 0 DEAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000246155113 521741964 /nfs/dbraw/zinc/74/19/64/521741964.db2.gz BOHBMFRTOCIKAO-WFASDCNBSA-N 1 0 321.396 2.067 10 0 DEAERO Cn1cc([C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)cn1 ZINC000156560255 521912201 /nfs/dbraw/zinc/91/22/01/521912201.db2.gz BQMOIQUSVGYPFW-INIZCTEOSA-N 1 0 312.417 2.111 10 0 DEAERO Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nnc1C1CC1 ZINC000195007859 534686961 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C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC2(C)COC2)C1 ZINC000112716908 524883562 /nfs/dbraw/zinc/88/35/62/524883562.db2.gz LSVNSDOQOHSBQO-GJZGRUSLSA-N 1 0 311.470 2.080 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[NH+]4CCC3CC4)nc21 ZINC000188838013 524910994 /nfs/dbraw/zinc/91/09/94/524910994.db2.gz XIULFYMJYBPMQY-UHFFFAOYSA-N 1 0 312.417 2.111 10 0 DEAERO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H](C)CO ZINC000245623611 525290552 /nfs/dbraw/zinc/29/05/52/525290552.db2.gz CEOCYQFETWZEGX-BFYDXBDKSA-N 1 0 304.434 2.174 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000248831730 525306206 /nfs/dbraw/zinc/30/62/06/525306206.db2.gz BQMLQKBIOXNYOU-MPTQWLOMSA-N 1 0 315.417 2.151 10 0 DEAERO Cc1ccc(OCCN(C)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000105266436 525416281 /nfs/dbraw/zinc/41/62/81/525416281.db2.gz GBRBTPVAZYCLSW-HNNXBMFYSA-N 1 0 319.449 2.498 10 0 DEAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000161780996 525874730 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CCO[C@H](C)c1noc(CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)n1 ZINC000328681226 528022668 /nfs/dbraw/zinc/02/26/68/528022668.db2.gz VBEUZEMJAHQDII-MGPQQGTHSA-N 1 0 308.426 2.226 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000189134200 528291875 /nfs/dbraw/zinc/29/18/75/528291875.db2.gz GRGZSPGBVUUNDV-NSHDSACASA-N 1 0 320.405 2.219 10 0 DEAERO CCOc1cc(Cl)ccc1CNC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000417940473 528293442 /nfs/dbraw/zinc/29/34/42/528293442.db2.gz YYIVSPYASWFNNN-ZWNOBZJWSA-N 1 0 311.813 2.370 10 0 DEAERO CCCCOC[C@@H](O)CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000193373984 528617693 /nfs/dbraw/zinc/61/76/93/528617693.db2.gz MSXIMHFBYISWLJ-INIZCTEOSA-N 1 0 300.487 2.218 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328928106 529269810 /nfs/dbraw/zinc/26/98/10/529269810.db2.gz XPXQKTMCRQGCQO-CPUCHLNUSA-N 1 0 307.438 2.265 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261858628 534924474 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CC(C)C[C@@H](C)S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246235605 535273610 /nfs/dbraw/zinc/27/36/10/535273610.db2.gz TTXIDHDZRGPQRI-CABCVRRESA-N 1 0 302.484 2.169 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000188190081 535276909 /nfs/dbraw/zinc/27/69/09/535276909.db2.gz NFDOQUMOGYKQHI-HNNXBMFYSA-N 1 0 313.486 2.299 10 0 DEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000261839487 535296370 /nfs/dbraw/zinc/29/63/70/535296370.db2.gz IQTPFVCFQRVCNF-MRXNPFEDSA-N 1 0 319.424 2.253 10 0 DEAERO CCC[C@@H](C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC000360692449 535310910 /nfs/dbraw/zinc/31/09/10/535310910.db2.gz PQJZSFRZMVXYIS-KBPBESRZSA-N 1 0 320.437 2.383 10 0 DEAERO CC(C)[C@@](C)(O)C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000248570847 535315008 /nfs/dbraw/zinc/31/50/08/535315008.db2.gz QVQQJIVPFJAURT-RDJZCZTQSA-N 1 0 308.397 2.270 10 0 DEAERO CC(C)c1n[nH]cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193618431 535325002 /nfs/dbraw/zinc/32/50/02/535325002.db2.gz SEBXJCULANKJHC-UHFFFAOYSA-N 1 0 304.438 2.481 10 0 DEAERO CC1(C)CN(C(=O)[C@@H](c2ccccc2)n2cccn2)CC[C@H]1[NH3+] ZINC000261959229 535343010 /nfs/dbraw/zinc/34/30/10/535343010.db2.gz KTONEYSLRKKTFU-HZPDHXFCSA-N 1 0 312.417 2.058 10 0 DEAERO CC1(C)CN(CC(=O)N[C@H](c2ccccc2)C2CC2)CC[C@H]1[NH3+] ZINC000261821977 535353173 /nfs/dbraw/zinc/35/31/73/535353173.db2.gz XZVYAILYOPLQDM-SJLPKXTDSA-N 1 0 315.461 2.313 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2cn3ccnc3s2)CC1 ZINC000188563210 535450858 /nfs/dbraw/zinc/45/08/58/535450858.db2.gz MAFRFJJFSSIISQ-UHFFFAOYSA-N 1 0 306.435 2.248 10 0 DEAERO CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CCC1 ZINC000262019301 535488925 /nfs/dbraw/zinc/48/89/25/535488925.db2.gz WLGMLZUXDNTTEY-BBWFWOEESA-N 1 0 310.482 2.330 10 0 DEAERO CC[NH+](CC)CCNC(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000368820411 535531146 /nfs/dbraw/zinc/53/11/46/535531146.db2.gz DZGNAPDXIYBXJX-UHFFFAOYSA-N 1 0 319.453 2.016 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@](C)(CO)C2CCCCC2)C1 ZINC000120202177 535531641 /nfs/dbraw/zinc/53/16/41/535531641.db2.gz ANIVHSATGJOUDB-WBVHZDCISA-N 1 0 311.470 2.101 10 0 DEAERO CCCc1noc(CCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000247539663 535556123 /nfs/dbraw/zinc/55/61/23/535556123.db2.gz XXHGZJUEKZMGFN-KBPBESRZSA-N 1 0 322.453 2.286 10 0 DEAERO CCOc1ccc(NC(=O)[C@@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261891354 535746948 /nfs/dbraw/zinc/74/69/48/535746948.db2.gz VOKRWOYEKRQYBH-CZUORRHYSA-N 1 0 319.449 2.472 10 0 DEAERO CCc1noc(C)c1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000455006014 535881284 /nfs/dbraw/zinc/88/12/84/535881284.db2.gz CVLWKVFTFSTHER-AWEZNQCLSA-N 1 0 322.453 2.465 10 0 DEAERO CC[C@H]([NH2+]Cc1ccc(Br)c(F)c1)C(=O)NC ZINC000449770514 535915316 /nfs/dbraw/zinc/91/53/16/535915316.db2.gz FVFGOOXMDMWQPQ-NSHDSACASA-N 1 0 303.175 2.202 10 0 DEAERO CCc1onc(C)c1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000187699348 535937316 /nfs/dbraw/zinc/93/73/16/535937316.db2.gz ZNOPCAKHAFDCRA-UHFFFAOYSA-N 1 0 323.437 2.118 10 0 DEAERO CN(C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)C1CCCCC1 ZINC000248043509 535991367 /nfs/dbraw/zinc/99/13/67/535991367.db2.gz UGIFMCUSAGUZFN-MAUKXSAKSA-N 1 0 308.466 2.405 10 0 DEAERO CCc1c(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)[nH]c(C)c1C(C)=O ZINC000262064558 536042429 /nfs/dbraw/zinc/04/24/29/536042429.db2.gz RXQCTXIDKYFBLM-ZDUSSCGKSA-N 1 0 305.422 2.288 10 0 DEAERO CC[C@H](Oc1ccccc1C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263131019 536052194 /nfs/dbraw/zinc/05/21/94/536052194.db2.gz BRHGCWRGEWLRQL-KBPBESRZSA-N 1 0 316.405 2.484 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(N)nc(Cl)c1 ZINC000246893679 536168129 /nfs/dbraw/zinc/16/81/29/536168129.db2.gz GXKORBIVBHWVDK-RYUDHWBXSA-N 1 0 308.813 2.016 10 0 DEAERO CNC(=O)Cc1nc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)cs1 ZINC000248444268 536303123 /nfs/dbraw/zinc/30/31/23/536303123.db2.gz WBBBOVGJJKSHEL-IACUBPJLSA-N 1 0 307.463 2.442 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc(Cc2c(C)nn(CC(C)C)c2C)n1 ZINC000261669170 536349281 /nfs/dbraw/zinc/34/92/81/536349281.db2.gz GDHJEORQFQOLQU-NSHDSACASA-N 1 0 305.426 2.280 10 0 DEAERO C[N@H+](CCCc1ccc2c(c1)CCO2)CC(=O)NC(C)(C)C ZINC000193234923 536361988 /nfs/dbraw/zinc/36/19/88/536361988.db2.gz UIHMZGSJSIMQRQ-UHFFFAOYSA-N 1 0 304.434 2.401 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnc[nH]2)[C@H]1c1cccs1 ZINC000357219375 536363828 /nfs/dbraw/zinc/36/38/28/536363828.db2.gz KXDBYVNUSVDRMS-FZMZJTMJSA-N 1 0 304.419 2.284 10 0 DEAERO CNC(=O)[C@H]([NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1)C(C)C ZINC000185307615 536382759 /nfs/dbraw/zinc/38/27/59/536382759.db2.gz CFDAWZICHQVYII-MLGOLLRUSA-N 1 0 310.413 2.373 10 0 DEAERO C[N@H+](C[C@@H](O)CC1CCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000191333861 536417383 /nfs/dbraw/zinc/41/73/83/536417383.db2.gz YJHRGJQCKKPKEO-SJORKVTESA-N 1 0 318.465 2.318 10 0 DEAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000247067626 536445229 /nfs/dbraw/zinc/44/52/29/536445229.db2.gz CBJCUPALWWXZRL-HOCLYGCPSA-N 1 0 317.433 2.493 10 0 DEAERO COC(=O)CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262099029 536446018 /nfs/dbraw/zinc/44/60/18/536446018.db2.gz CCSPUDSPPWNMOP-ZNMIVQPWSA-N 1 0 310.438 2.147 10 0 DEAERO COC1(C[NH2+]Cc2cccc(N3CCOCC3)n2)CCCCC1 ZINC000359671437 536680259 /nfs/dbraw/zinc/68/02/59/536680259.db2.gz BHTLMOFPUHPUSN-UHFFFAOYSA-N 1 0 319.449 2.357 10 0 DEAERO COCCOc1cccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000262575869 536726241 /nfs/dbraw/zinc/72/62/41/536726241.db2.gz YDNQCDLINWKXQH-HNNXBMFYSA-N 1 0 306.406 2.429 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000191879278 536742394 /nfs/dbraw/zinc/74/23/94/536742394.db2.gz JMEPBBNKOZCLLY-AFAVFJNCSA-N 1 0 302.418 2.120 10 0 DEAERO COC(=O)c1coc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375400185 536845431 /nfs/dbraw/zinc/84/54/31/536845431.db2.gz FCXMGYIYYOKXIK-LLVKDONJSA-N 1 0 317.345 2.316 10 0 DEAERO COc1ccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247196725 536879428 /nfs/dbraw/zinc/87/94/28/536879428.db2.gz LLWPWRMMZISIMB-HIFRSBDPSA-N 1 0 303.406 2.073 10 0 DEAERO COc1ccc(-c2ccccc2)cc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000262128014 536897072 /nfs/dbraw/zinc/89/70/72/536897072.db2.gz NJVCSYZXNMHJIY-ROUUACIJSA-N 1 0 312.413 2.032 10 0 DEAERO COc1ccc2c(c1NC(=O)N1CC[C@@H]([NH+](C)C)C1)CCC2 ZINC000191354482 537022879 /nfs/dbraw/zinc/02/28/79/537022879.db2.gz LDFWELZJXUBWSW-CYBMUJFWSA-N 1 0 303.406 2.352 10 0 DEAERO CC[NH2+]CC[C@H](CO)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000685963234 563961485 /nfs/dbraw/zinc/96/14/85/563961485.db2.gz JYKTVHYSZUZKNF-RRFJBIMHSA-N 1 0 314.470 2.488 10 0 DEAERO Brc1c[nH]c(CNCc2cccc3c2OCO3)n1 ZINC000311229508 625305341 /nfs/dbraw/zinc/30/53/41/625305341.db2.gz QQNGSPWFTHOILK-UHFFFAOYSA-N 1 0 310.151 2.191 10 0 DEAERO C[C@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000049646049 622718250 /nfs/dbraw/zinc/71/82/50/622718250.db2.gz RSFFFXXOJSBROL-GWCFXTLKSA-N 1 0 302.827 2.072 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C(=O)CCCSC(C)(C)C)CC1 ZINC000179407286 625643571 /nfs/dbraw/zinc/64/35/71/625643571.db2.gz WZFSCNKIDJYPHQ-AWEZNQCLSA-N 1 0 316.511 2.213 10 0 DEAERO Cn1cc(/C=C\C(=O)NC2(C[NH+]3CCCC3)CCCCC2)cn1 ZINC000096855716 624170146 /nfs/dbraw/zinc/17/01/46/624170146.db2.gz PPCXUXYTXXZCTD-FPLPWBNLSA-N 1 0 316.449 2.348 10 0 DEAERO Cc1cc(C)c2c(n1)sn(CN(C)C[C@@H]1CCOC1)c2=O ZINC000176101445 624625351 /nfs/dbraw/zinc/62/53/51/624625351.db2.gz VTILJHNMRIPJPD-LBPRGKRZSA-N 1 0 307.419 2.001 10 0 DEAERO F[C@@H]1CC2(CC[C@@H]1[NH+]1CCC(c3cc[nH]n3)CC1)OCCO2 ZINC000891891046 624647132 /nfs/dbraw/zinc/64/71/32/624647132.db2.gz KXKSXUAHCDABHW-HIFRSBDPSA-N 1 0 309.385 2.223 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(C[NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000146533689 624816448 /nfs/dbraw/zinc/81/64/48/624816448.db2.gz GVUXUNPRCVAULG-UHFFFAOYSA-N 1 0 314.426 2.304 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000052808484 625105103 /nfs/dbraw/zinc/10/51/03/625105103.db2.gz HTFHCCNGKZYUOS-GFCCVEGCSA-N 1 0 305.205 2.316 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1OC ZINC000309854876 625151590 /nfs/dbraw/zinc/15/15/90/625151590.db2.gz CQYGPQLQDGAUNT-IGQOVBAYSA-N 1 0 316.442 2.024 10 0 DEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc3c(c1)CCO3)CC2 ZINC000180614943 625213110 /nfs/dbraw/zinc/21/31/10/625213110.db2.gz ZPPFCYWGBYACNO-WFASDCNBSA-N 1 0 312.417 2.441 10 0 DEAERO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC(Cc2ccccc2)CC1 ZINC000314133219 625754735 /nfs/dbraw/zinc/75/47/35/625754735.db2.gz RNOZTOORJQISCC-QGZVFWFLSA-N 1 0 322.474 2.023 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1c2cc(C)ccc2oc1=O ZINC000177163719 625867368 /nfs/dbraw/zinc/86/73/68/625867368.db2.gz LZAIRDTZZBALIP-CQSZACIVSA-N 1 0 303.406 2.277 10 0 DEAERO CC(C)(CC(N)=O)[NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000186254804 634059064 /nfs/dbraw/zinc/05/90/64/634059064.db2.gz PVMKGQBNRAMMIB-GFCCVEGCSA-N 1 0 309.797 2.077 10 0 DEAERO C[C@H](CNC(=O)Nc1ccc2nccn2c1)[NH+]1CCCCC1 ZINC000738951538 635678223 /nfs/dbraw/zinc/67/82/23/635678223.db2.gz WROJNLDWMNELDC-CYBMUJFWSA-N 1 0 301.394 2.330 10 0 DEAERO C[C@@](O)(C[NH2+]Cc1ccc(-n2cncn2)cc1)c1cccs1 ZINC000740014011 637772712 /nfs/dbraw/zinc/77/27/12/637772712.db2.gz AUDJFVBOUWFYBP-MRXNPFEDSA-N 1 0 314.414 2.326 10 0 DEAERO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000320176324 637864069 /nfs/dbraw/zinc/86/40/69/637864069.db2.gz YFPRZJFFORKQSR-IJUHFESZSA-N 1 0 302.827 2.356 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)c2ncccn2)[C@H]1c1cccs1 ZINC000743568496 638157623 /nfs/dbraw/zinc/15/76/23/638157623.db2.gz WCCPCFFUMSEPNS-OCCSQVGLSA-N 1 0 316.430 2.351 10 0 DEAERO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000744345097 638212743 /nfs/dbraw/zinc/21/27/43/638212743.db2.gz JUFQZCHOVPWQAW-LLVKDONJSA-N 1 0 310.829 2.015 10 0 DEAERO C[NH+](C)CCn1cc(NC(=O)N2CCC3(CCCC3)C2)cn1 ZINC000747558244 638450260 /nfs/dbraw/zinc/45/02/60/638450260.db2.gz SRKMBFFFXHQPNI-UHFFFAOYSA-N 1 0 305.426 2.243 10 0 DEAERO CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000747870022 638486625 /nfs/dbraw/zinc/48/66/25/638486625.db2.gz BVTOXTLOIXYUCE-WSVYEEACSA-N 1 0 312.435 2.073 10 0 DEAERO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000748818799 638594580 /nfs/dbraw/zinc/59/45/80/638594580.db2.gz YSHCSFDMNOJTGA-YLHGKKIISA-N 1 0 314.389 2.028 10 0 DEAERO c1cn2c(C[NH2+]Cc3cnn[nH]3)c(-c3ccccc3)nc2s1 ZINC000749985629 638700940 /nfs/dbraw/zinc/70/09/40/638700940.db2.gz NHICVJGAZYRLNC-UHFFFAOYSA-N 1 0 310.386 2.471 10 0 DEAERO COc1ccc(OC)c(CN2CCCC[C@@H]2C2OCCO2)c1 ZINC000728174564 639049281 /nfs/dbraw/zinc/04/92/81/639049281.db2.gz QRIRRBXZPSODQR-OAHLLOKOSA-N 1 0 307.390 2.431 10 0 DEAERO C[C@@H](CNC(=O)NCCc1ccccc1O)[NH+]1CCCCC1 ZINC000729598648 640807346 /nfs/dbraw/zinc/80/73/46/640807346.db2.gz IQFXCLAMXOYNEM-AWEZNQCLSA-N 1 0 305.422 2.108 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cc(F)ccc2F)C1 ZINC000078298098 641588121 /nfs/dbraw/zinc/58/81/21/641588121.db2.gz MSAJPKQLNWGUGS-ZDUSSCGKSA-N 1 0 313.344 2.478 10 0 DEAERO C[C@H]1[C@H](OC(=O)c2cccc(C[NH+]3CCCC3)c2)CC(=O)N1C ZINC000806080597 644650706 /nfs/dbraw/zinc/65/07/06/644650706.db2.gz HSVIYJIRHROJBL-XJKSGUPXSA-N 1 0 316.401 2.058 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800697461 645298046 /nfs/dbraw/zinc/29/80/46/645298046.db2.gz UMRWKDIAZPVYJT-OAHLLOKOSA-N 1 0 309.841 2.448 10 0 DEAERO C[NH+](C)CC[C@@H](NC(=O)N1CCO[C@@H](C(F)F)C1)C(C)(C)C ZINC000801020011 645331084 /nfs/dbraw/zinc/33/10/84/645331084.db2.gz YGHNPGKDMOAWAT-VXGBXAGGSA-N 1 0 321.412 2.028 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)c1cc(C)cc(C)c1 ZINC000801532694 645409943 /nfs/dbraw/zinc/40/99/43/645409943.db2.gz CWKXPPKVKJZSTG-IRXDYDNUSA-N 1 0 304.434 2.327 10 0 DEAERO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000802621648 645536930 /nfs/dbraw/zinc/53/69/30/645536930.db2.gz JGLVHTQKTWGBTL-GFCCVEGCSA-N 1 0 308.397 2.022 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(c2c(C[NH3+])nnn2C2CC2)CC1 ZINC000757137087 645928954 /nfs/dbraw/zinc/92/89/54/645928954.db2.gz JECPVGDJYHMMHN-UHFFFAOYSA-N 1 0 321.425 2.186 10 0 DEAERO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC(=O)OCc1ccccc1 ZINC000150700129 646035202 /nfs/dbraw/zinc/03/52/02/646035202.db2.gz CJNORYIGWNELPY-CVEARBPZSA-N 1 0 318.417 2.144 10 0 DEAERO CC(C)Nc1ncnc2c1ncn2CN1C[C@H](C)OC(C)(C)C1 ZINC000170902740 646674115 /nfs/dbraw/zinc/67/41/15/646674115.db2.gz DRXLWSMBSKONTQ-LBPRGKRZSA-N 1 0 318.425 2.103 10 0 DEAERO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCCN(C)C1 ZINC000230942130 646752792 /nfs/dbraw/zinc/75/27/92/646752792.db2.gz GNQPHTPJHXAUDI-HUUCEWRRSA-N 1 0 313.486 2.467 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000231810210 646780042 /nfs/dbraw/zinc/78/00/42/646780042.db2.gz AVIFZFPNSLOEFW-JTQLQIEISA-N 1 0 322.883 2.473 10 0 DEAERO CCCS(=O)(=O)CC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000173836917 646781257 /nfs/dbraw/zinc/78/12/57/646781257.db2.gz XXLUVLYQOZOMDN-OAHLLOKOSA-N 1 0 303.468 2.235 10 0 DEAERO Cc1cc(C)cc([C@H](O)CN2CC[NH+](CCOC(C)C)CC2)c1 ZINC000173960871 646784813 /nfs/dbraw/zinc/78/48/13/646784813.db2.gz SZENSNPSMQKQJD-LJQANCHMSA-N 1 0 320.477 2.379 10 0 DEAERO CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000730281246 646888178 /nfs/dbraw/zinc/88/81/78/646888178.db2.gz RRUNSFDHZBVBBK-CQSZACIVSA-N 1 0 317.433 2.332 10 0 DEAERO c1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc(C2CC2)n1 ZINC000731968722 647529923 /nfs/dbraw/zinc/52/99/23/647529923.db2.gz LBQAXWBIEAMWGU-HNNXBMFYSA-N 1 0 302.422 2.409 10 0 DEAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)nc(N(C)C)c2)C1 ZINC000733141818 647890040 /nfs/dbraw/zinc/89/00/40/647890040.db2.gz HVFLPZGCTLHKHA-GFCCVEGCSA-N 1 0 324.856 2.261 10 0 DEAERO CCn1c(-c2ccco2)nn(CN2CC[C@@H]([NH+](C)C)C2)c1=S ZINC000170843348 648354080 /nfs/dbraw/zinc/35/40/80/648354080.db2.gz YECFLEAZUFJHKR-GFCCVEGCSA-N 1 0 321.450 2.287 10 0 DEAERO COc1c(F)ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1F ZINC000067965527 648396771 /nfs/dbraw/zinc/39/67/71/648396771.db2.gz VIFUIDITGSZYRL-INIZCTEOSA-N 1 0 310.344 2.189 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccnc2SC(F)(F)F)C1 ZINC000170855041 648399616 /nfs/dbraw/zinc/39/96/16/648399616.db2.gz HOEUTGNTABNGHN-SECBINFHSA-N 1 0 319.352 2.470 10 0 DEAERO COc1ccc(CCNC(=O)c2ccccc2C[NH3+])cc1OC ZINC000071700208 649167870 /nfs/dbraw/zinc/16/78/70/649167870.db2.gz ZSHYGSYTBXHZNK-UHFFFAOYSA-N 1 0 314.385 2.135 10 0 DEAERO [NH2+]=C(NCCN1CCc2c(Cl)cccc2C1)N1CCCCC1 ZINC000189387091 649252951 /nfs/dbraw/zinc/25/29/51/649252951.db2.gz PNMVBDQYVKVRLY-UHFFFAOYSA-N 1 0 320.868 2.499 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)OC[C@H](C)COC)cc2)CC1 ZINC000185766648 649611342 /nfs/dbraw/zinc/61/13/42/649611342.db2.gz KQCUWUDHIMOMML-OAHLLOKOSA-N 1 0 320.433 2.268 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)OC[C@@H](C)COC)cc2)CC1 ZINC000185766632 649611362 /nfs/dbraw/zinc/61/13/62/649611362.db2.gz KQCUWUDHIMOMML-HNNXBMFYSA-N 1 0 320.433 2.268 10 0 DEAERO [NH3+][C@@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC1 ZINC000111379613 652560517 /nfs/dbraw/zinc/56/05/17/652560517.db2.gz AVCSCGWAFZSJNB-NSHDSACASA-N 1 0 308.325 2.129 10 0 DEAERO CN1CCC[NH+]=C1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379702966 685392484 /nfs/dbraw/zinc/39/24/84/685392484.db2.gz AMMPVKZMQLPVIE-QGZVFWFLSA-N 1 0 300.450 2.322 10 0 DEAERO CC(C)[C@H](CNCc1nc(Br)c[nH]1)[NH+]1CCCC1 ZINC000381336851 685401151 /nfs/dbraw/zinc/40/11/51/685401151.db2.gz JKOHNRXQYYIYLB-NSHDSACASA-N 1 0 315.259 2.382 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000382452511 685404239 /nfs/dbraw/zinc/40/42/39/685404239.db2.gz OBLFVALPQAXJNG-YNEHKIRRSA-N 1 0 316.442 2.277 10 0 DEAERO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000388914717 685431107 /nfs/dbraw/zinc/43/11/07/685431107.db2.gz JFEIPRPQSNZZQJ-GZMMTYOYSA-N 1 0 323.245 2.399 10 0 DEAERO CC(C)(CO)[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000037888197 683884523 /nfs/dbraw/zinc/88/45/23/683884523.db2.gz ZIOGRNVNNWUAQG-VIFPVBQESA-N 1 0 308.205 2.094 10 0 DEAERO O=C(c1cc(Cl)nc(Cl)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000038107481 683887003 /nfs/dbraw/zinc/88/70/03/683887003.db2.gz RWNGPEJLHSDDLH-SNVBAGLBSA-N 1 0 300.189 2.309 10 0 DEAERO C[C@@](CO)([NH2+]C[C@H]1CCCO1)c1cccc(Br)c1 ZINC000038114503 683887331 /nfs/dbraw/zinc/88/73/31/683887331.db2.gz YIQPNODIINXMMA-KGLIPLIRSA-N 1 0 314.223 2.425 10 0 DEAERO Cc1noc(C)c1CN(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075315163 683935368 /nfs/dbraw/zinc/93/53/68/683935368.db2.gz WCOWWSINMBEYAY-GOOCMWNKSA-N 1 0 320.437 2.448 10 0 DEAERO Cc1ccc(CC(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000077957716 683958225 /nfs/dbraw/zinc/95/82/25/683958225.db2.gz SXYLGXOCKSGDJB-CQSZACIVSA-N 1 0 311.447 2.499 10 0 DEAERO COc1cccc(NC(=[NH2+])NCCCc2c(C)nn(C)c2C)c1 ZINC000091537587 684036899 /nfs/dbraw/zinc/03/68/99/684036899.db2.gz IBEMSLYIKDXKLT-UHFFFAOYSA-N 1 0 315.421 2.405 10 0 DEAERO CCc1nn(C)c(OC)c1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000092854326 684045924 /nfs/dbraw/zinc/04/59/24/684045924.db2.gz FHEWINCFHUEWIJ-UHFFFAOYSA-N 1 0 301.394 2.226 10 0 DEAERO CCOCCO[C@H](C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117100505 684067627 /nfs/dbraw/zinc/06/76/27/684067627.db2.gz OSQVKTNNNPUPSG-WBVHZDCISA-N 1 0 321.417 2.246 10 0 DEAERO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000124025543 684130438 /nfs/dbraw/zinc/13/04/38/684130438.db2.gz MMKRCNMSPNFZHU-MRXNPFEDSA-N 1 0 304.438 2.385 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)/C=C/c2cncc(F)c2)C1 ZINC000125997468 684150299 /nfs/dbraw/zinc/15/02/99/684150299.db2.gz UBBFWQGHAALVRS-QDLOVBKTSA-N 1 0 322.380 2.134 10 0 DEAERO O[C@H]1C[NH2+][C@@H](c2nc(CSc3ccc(Cl)cc3)no2)C1 ZINC000131810615 684202895 /nfs/dbraw/zinc/20/28/95/684202895.db2.gz VHJDEQAFOMQIBF-MWLCHTKSSA-N 1 0 311.794 2.411 10 0 DEAERO Cc1noc(C)c1CN(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132298631 684207705 /nfs/dbraw/zinc/20/77/05/684207705.db2.gz JDNOJAJXPSRGSW-XHDPSFHLSA-N 1 0 308.426 2.162 10 0 DEAERO C[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(F)cc1Cl ZINC000187826999 684343784 /nfs/dbraw/zinc/34/37/84/684343784.db2.gz 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312.417 2.006 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C)C1CC1 ZINC000886085607 692000716 /nfs/dbraw/zinc/00/07/16/692000716.db2.gz VNMQESGOEHAXLI-SGIREYDYSA-N 1 0 302.422 2.003 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)c1C ZINC000722603574 776580404 /nfs/dbraw/zinc/58/04/04/776580404.db2.gz XAUBKSWNDWOQGH-JTQLQIEISA-N 1 0 316.492 2.340 10 0 DEAERO CN1C[C@@H](CC[NH2+]Cc2ccc(Br)cc2)CC1=O ZINC000723566723 777124859 /nfs/dbraw/zinc/12/48/59/777124859.db2.gz MFOUQCTTWUKOAM-LBPRGKRZSA-N 1 0 311.223 2.407 10 0 DEAERO CN1C[C@H](CC[NH2+]Cc2ccccc2Br)CC1=O ZINC000723565131 777124863 /nfs/dbraw/zinc/12/48/63/777124863.db2.gz CAMOKRISDKLXSH-LLVKDONJSA-N 1 0 311.223 2.407 10 0 DEAERO CN1C[C@@H](CC[NH2+]Cc2ccccc2Br)CC1=O ZINC000723565133 777124934 /nfs/dbraw/zinc/12/49/34/777124934.db2.gz CAMOKRISDKLXSH-NSHDSACASA-N 1 0 311.223 2.407 10 0 DEAERO Cc1cccnc1/C=C\C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000588456276 777218219 /nfs/dbraw/zinc/21/82/19/777218219.db2.gz 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301.452 2.032 10 0 DEAERO C[C@@H]1CC[C@@H]([NH2+][C@H]2CC23CC(O)C3)CN1C(=O)OC(C)(C)C ZINC000724911679 777516965 /nfs/dbraw/zinc/51/69/65/777516965.db2.gz GKFNWNUYHYPZLJ-YAOSRSEKSA-N 1 0 310.438 2.277 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC23CC(O)C3)CC1 ZINC000725002258 777555859 /nfs/dbraw/zinc/55/58/59/777555859.db2.gz SQQDHSFEAJJNAI-XCCIUEIHSA-N 1 0 310.438 2.279 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000725079058 777579105 /nfs/dbraw/zinc/57/91/05/777579105.db2.gz ZZMLZFXUNTXYJV-GFCCVEGCSA-N 1 0 314.476 2.318 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000725114946 777587417 /nfs/dbraw/zinc/58/74/17/777587417.db2.gz QWRUXUNWQCTCAS-GFCCVEGCSA-N 1 0 302.465 2.114 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000722253997 778552084 /nfs/dbraw/zinc/55/20/84/778552084.db2.gz PJRRWOJXAYETFJ-KBXIAJHMSA-N 1 0 311.470 2.314 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1)COCc1ccccc1 ZINC000722336402 778630225 /nfs/dbraw/zinc/63/02/25/778630225.db2.gz SGPHJXZXLIIILO-FGTMMUONSA-N 1 0 305.418 2.111 10 0 DEAERO Cc1cnn(C)c1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721856964 780391354 /nfs/dbraw/zinc/39/13/54/780391354.db2.gz XASQAOBDFNFIIE-AWEZNQCLSA-N 1 0 322.453 2.464 10 0 DEAERO O=S(=O)(CC1CCC1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000721875881 780505403 /nfs/dbraw/zinc/50/54/03/780505403.db2.gz PAZHEACYXSBSND-CQSZACIVSA-N 1 0 300.468 2.018 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1cn[nH]c1 ZINC000721122126 783906961 /nfs/dbraw/zinc/90/69/61/783906961.db2.gz PZUIBMVLKYJAJD-TZMCWYRMSA-N 1 0 308.426 2.392 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)N[C@H](C)C[NH+]2CCCCCC2)n1 ZINC000186261069 784368925 /nfs/dbraw/zinc/36/89/25/784368925.db2.gz CYPNDNYEVGBSDW-ZBFHGGJFSA-N 1 0 306.454 2.442 10 0 DEAERO CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(Br)c1F ZINC000712315303 784814560 /nfs/dbraw/zinc/81/45/60/784814560.db2.gz PTVNPPQMLMIWPQ-VIFPVBQESA-N 1 0 315.186 2.412 10 0 DEAERO CC[C@@H]([NH2+]Cc1cn(C)nc1Br)[C@@H]1CCCOC1 ZINC000723959422 787346204 /nfs/dbraw/zinc/34/62/04/787346204.db2.gz QYGPCPUAVZCUSE-ZYHUDNBSSA-N 1 0 316.243 2.477 10 0 DEAERO C[C@@](O)(C[N@@H+]1CCCOC(C)(C)C1)C(F)(F)C(F)(F)F ZINC000724111549 787348918 /nfs/dbraw/zinc/34/89/18/787348918.db2.gz OPXDUVAHUMEKFF-SNVBAGLBSA-N 1 0 305.287 2.436 10 0 DEAERO CC(C)(O)C(C)(C)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724113362 787350028 /nfs/dbraw/zinc/35/00/28/787350028.db2.gz BMISWWRLUXWAHK-JTQLQIEISA-N 1 0 307.303 2.322 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC(O)C3)C12CCC2 ZINC000724914911 787354220 /nfs/dbraw/zinc/35/42/20/787354220.db2.gz QVOVZYNKDCVFIU-JEFPAAPESA-N 1 0 322.449 2.325 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CCN3CCCC[C@H]23)C1 ZINC000397729194 790213444 /nfs/dbraw/zinc/21/34/44/790213444.db2.gz DNHLZIUXJKHCNR-LSDHHAIUSA-N 1 0 309.454 2.070 10 0 DEAERO Cn1cc(C[NH2+]CC[C@H]2CCCCO2)c(Br)n1 ZINC000712484084 792191009 /nfs/dbraw/zinc/19/10/09/792191009.db2.gz 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[NH3+]CCCN(Cc1ccccc1)S(=O)(=O)CCCC1CC1 ZINC000715006372 792378160 /nfs/dbraw/zinc/37/81/60/792378160.db2.gz YJBAZRDLPLWROO-UHFFFAOYSA-N 1 0 310.463 2.357 10 0 DEAERO CN(C)c1c(Cl)cccc1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715170182 792402905 /nfs/dbraw/zinc/40/29/05/792402905.db2.gz MOKDACDRVIJDEL-XVKPBYJWSA-N 1 0 303.740 2.185 10 0 DEAERO Cc1cccc(Br)c1C(=O)NC12CC[NH+](CC1)C2 ZINC000715503308 792471571 /nfs/dbraw/zinc/47/15/71/792471571.db2.gz WZZDDDOPZQNRSK-UHFFFAOYSA-N 1 0 309.207 2.336 10 0 DEAERO C[C@H]([NH2+]CC[C@H]1CCCS1)c1cccc(S(N)(=O)=O)c1 ZINC000715627842 792481353 /nfs/dbraw/zinc/48/13/53/792481353.db2.gz XZYBSYOXRFEFJM-WCQYABFASA-N 1 0 314.476 2.270 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C)c1cn(C)nn1 ZINC000715851260 792525551 /nfs/dbraw/zinc/52/55/51/792525551.db2.gz DGUKVAKERKQMBO-AVGNSLFASA-N 1 0 323.441 2.254 10 0 DEAERO COc1ccc(F)cc1[C@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716139458 792554997 /nfs/dbraw/zinc/55/49/97/792554997.db2.gz QUZFCGINPKVZEH-GCVQQVDUSA-N 1 0 301.383 2.061 10 0 DEAERO Nc1cc(F)ccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000716254216 792950941 /nfs/dbraw/zinc/95/09/41/792950941.db2.gz WIHCLIABWGMULL-HNNXBMFYSA-N 1 0 313.376 2.412 10 0 DEAERO Fc1cc(C[NH2+]CC2OCCCO2)ccc1Br ZINC000716357503 792953663 /nfs/dbraw/zinc/95/36/63/792953663.db2.gz HIWJCXMZJFCLKV-UHFFFAOYSA-N 1 0 304.159 2.441 10 0 DEAERO C[C@@H](NS(=O)(=O)c1ccccc1Cl)C1CC[NH2+]CC1 ZINC000716560562 792974015 /nfs/dbraw/zinc/97/40/15/792974015.db2.gz XZDATFMCADSJPN-SNVBAGLBSA-N 1 0 302.827 2.006 10 0 DEAERO COCC[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619792 792979155 /nfs/dbraw/zinc/97/91/55/792979155.db2.gz HWCXXLAXXNRPHY-VJANTYMQSA-N 1 0 318.461 2.027 10 0 DEAERO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716855204 793010109 /nfs/dbraw/zinc/01/01/09/793010109.db2.gz VSEXBKDUAXMCBR-YRGRVCCFSA-N 1 0 300.443 2.381 10 0 DEAERO O=S(=O)(/C=C\c1ccc(Cl)cc1)NCCC[NH2+]C1CC1 ZINC000209497032 799196897 /nfs/dbraw/zinc/19/68/97/799196897.db2.gz WEDVDRZLLCYFJX-FLIBITNWSA-N 1 0 314.838 2.372 10 0 DEAERO C[C@]1(C(F)(F)F)CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000717398326 799395464 /nfs/dbraw/zinc/39/54/64/799395464.db2.gz UJLMRQBUCFTPPQ-SCZZXKLOSA-N 1 0 300.271 2.032 10 0 DEAERO C[C@H](O)CCC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401709542 801844347 /nfs/dbraw/zinc/84/43/47/801844347.db2.gz CZUPGICBDVSXCK-RDBSUJKOSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401737497 801846142 /nfs/dbraw/zinc/84/61/42/801846142.db2.gz ZRRYHYFYVIDFIU-KBXIAJHMSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@H](O)C[C@H](C)[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401755396 801849010 /nfs/dbraw/zinc/84/90/10/801849010.db2.gz DKYVEZBPBHTKDQ-RFGFWPKPSA-N 1 0 300.443 2.381 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]Cc2cncn2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401765052 801849426 /nfs/dbraw/zinc/84/94/26/801849426.db2.gz XWJMNPSFQVRXIC-OLZOCXBDSA-N 1 0 308.426 2.155 10 0 DEAERO CN1CCC([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000404567947 802024333 /nfs/dbraw/zinc/02/43/33/802024333.db2.gz FBUXBMALCRNFPC-UHFFFAOYSA-N 1 0 311.470 2.365 10 0 DEAERO CC(C)C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717920563 1081784771 /nfs/dbraw/zinc/78/47/71/1081784771.db2.gz TVWKGBUBBIXWLB-UHFFFAOYSA-N 1 0 304.434 2.176 10 0 DEAERO Cc1coc(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000718029500 1081866090 /nfs/dbraw/zinc/86/60/90/1081866090.db2.gz HHABKGSEXZZZGB-CYBMUJFWSA-N 1 0 310.394 2.314 10 0 DEAERO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000720509199 1085263501 /nfs/dbraw/zinc/26/35/01/1085263501.db2.gz GXXKFWYDYQEMCG-STQMWFEESA-N 1 0 314.886 2.051 10 0 DEAERO O=C(N[C@@H]1CCCN2CCSC[C@@H]12)c1cccc(Cl)n1 ZINC000720513537 1085282544 /nfs/dbraw/zinc/28/25/44/1085282544.db2.gz WBKQXKUYGXCJNE-PWSUYJOCSA-N 1 0 311.838 2.045 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1Cn1cnc2ccc(Br)cc2c1=O ZINC000721064243 1085648546 /nfs/dbraw/zinc/64/85/46/1085648546.db2.gz SRZBKILQAYWFTC-ZJUUUORDSA-N 1 0 322.206 2.015 10 0 DEAERO CN1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000720655937 1085816700 /nfs/dbraw/zinc/81/67/00/1085816700.db2.gz SYKCCBXXJCMEQK-PNRVRQOCSA-N 1 0 323.481 2.458 10 0 DEAERO C[NH2+]CCN(CC(=O)Nc1ccc(F)c(Cl)c1)C(C)C ZINC000720773519 1086130778 /nfs/dbraw/zinc/13/07/78/1086130778.db2.gz HBCWJRIMRBALJT-UHFFFAOYSA-N 1 0 301.793 2.347 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ncccc1Br ZINC000720818276 1086169546 /nfs/dbraw/zinc/16/95/46/1086169546.db2.gz UNRZOFUHJCAAJJ-VXGBXAGGSA-N 1 0 324.222 2.153 10 0 DEAERO O=C(c1occc1Br)N1CCC([NH+]2CCC2)CC1 ZINC000700414980 1086317716 /nfs/dbraw/zinc/31/77/16/1086317716.db2.gz QMNIWSDOEWQKLI-UHFFFAOYSA-N 1 0 313.195 2.352 10 0 DEAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1cnn(C)c1 ZINC000701865943 1086387542 /nfs/dbraw/zinc/38/75/42/1086387542.db2.gz XVMGPRKEBDGJME-POZPTJLLSA-N 1 0 320.437 2.470 10 0 DEAERO C[C@H](F)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000702638505 1086449301 /nfs/dbraw/zinc/44/93/01/1086449301.db2.gz MCGRDHCKYGCZOV-AVGNSLFASA-N 1 0 304.406 2.349 10 0 DEAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1sccc1Br)C2 ZINC000703599938 1086524357 /nfs/dbraw/zinc/52/43/57/1086524357.db2.gz FQZQDTFRVRGWJC-QPUJVOFHSA-N 1 0 315.236 2.192 10 0 DEAERO CC1([NH3+])CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000704578089 1086585606 /nfs/dbraw/zinc/58/56/06/1086585606.db2.gz LNLLULMEAQEGSJ-WDZFZDKYSA-N 1 0 314.838 2.454 10 0 DEAERO CN(CCOCC[NH2+][C@H]1CCCSC1)C(=O)OC(C)(C)C ZINC000705906986 1086627887 /nfs/dbraw/zinc/62/78/87/1086627887.db2.gz MBANSBBVCMDVGS-ZDUSSCGKSA-N 1 0 318.483 2.355 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)CS1 ZINC000705907143 1086628165 /nfs/dbraw/zinc/62/81/65/1086628165.db2.gz MYLKCHVJFPOQAM-QWHCGFSZSA-N 1 0 318.483 2.354 10 0 DEAERO CC1(C)C[C@H](C[NH2+][C@H]2CCCS(=O)(=O)CC2)C(C)(C)O1 ZINC000709715649 1086682185 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CC1(C)CC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2)OC1 ZINC000711360577 1087078699 /nfs/dbraw/zinc/07/86/99/1087078699.db2.gz OKMCTYVHDCJCJQ-IRXDYDNUSA-N 1 0 307.434 2.359 10 0 DEAERO C[C@@H]1CCC[C@@]1(O)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711440490 1087112626 /nfs/dbraw/zinc/11/26/26/1087112626.db2.gz UMONYYWXCKGPQG-VWPFQQQWSA-N 1 0 312.454 2.430 10 0 DEAERO C[C@@H](CCO)CC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711459305 1087120541 /nfs/dbraw/zinc/12/05/41/1087120541.db2.gz KIXRAELTCIXTST-MCIONIFRSA-N 1 0 300.443 2.288 10 0 DEAERO C[C@H](CC(C)(C)O)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711476805 1087120693 /nfs/dbraw/zinc/12/06/93/1087120693.db2.gz PFZZDUBNVAXGTF-UPJWGTAASA-N 1 0 300.443 2.429 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000711646676 1087185822 /nfs/dbraw/zinc/18/58/22/1087185822.db2.gz IPMZRXIPEBXUMU-KBPBESRZSA-N 1 0 314.838 2.211 10 0 DEAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000718382469 1088511536 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C[NH+](C)CCn1ccc(NCc2cc(-c3ccccc3)n[nH]2)n1 ZINC000136325546 282086824 /nfs/dbraw/zinc/08/68/24/282086824.db2.gz SQLFFCQJUMCPMX-UHFFFAOYSA-N 1 0 310.405 2.447 10 0 DEAERO O=C(CC[NH+]1CCCCC1)N1CCN(c2ccccc2)CC1 ZINC000074693780 185009991 /nfs/dbraw/zinc/00/99/91/185009991.db2.gz VZAMMDYDUJRSCZ-UHFFFAOYSA-N 1 0 301.434 2.211 10 0 DEAERO COc1ccc2c(c1)CC[C@@H](Sc1nccc(=O)[nH]1)[C@@H]2[NH3+] ZINC000081774402 192322400 /nfs/dbraw/zinc/32/24/00/192322400.db2.gz WLTQOUUDFGUKGD-TZMCWYRMSA-N 1 0 303.387 2.298 10 0 DEAERO CS(=O)(=O)CCSC[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000081768940 192323122 /nfs/dbraw/zinc/32/31/22/192323122.db2.gz CKBMWSLRDLRXIW-IHXHZNKUSA-N 1 0 317.520 2.308 10 0 DEAERO CCOCc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000139565089 282101689 /nfs/dbraw/zinc/10/16/89/282101689.db2.gz SWHCARXPEXOMQV-INIZCTEOSA-N 1 0 305.422 2.117 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1Sc1nncs1)OCCO2 ZINC000081881945 192333796 /nfs/dbraw/zinc/33/37/96/192333796.db2.gz ZFGTWWLWKLSKQA-QWRGUYRKSA-N 1 0 315.464 2.294 10 0 DEAERO CCn1c(=O)[nH]nc1SC[C@H]([NH2+]C)c1ccc(C)cc1C ZINC000081879725 192333878 /nfs/dbraw/zinc/33/38/78/192333878.db2.gz NUDPLSQYNRFZPD-ZDUSSCGKSA-N 1 0 306.435 2.261 10 0 DEAERO Cc1cnc(SC[C@@H]([NH3+])c2ccc3c(c2)OCCO3)nc1 ZINC000081893957 192334319 /nfs/dbraw/zinc/33/43/19/192334319.db2.gz CBXBTDDRQVXWBX-GFCCVEGCSA-N 1 0 303.387 2.348 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccccc1Cl ZINC000081920550 192338492 /nfs/dbraw/zinc/33/84/92/192338492.db2.gz DVSQGTKQZVIJDW-JSGCOSHPSA-N 1 0 317.838 2.271 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1n1cc(Br)c2cc[nH]c(=O)c21 ZINC000162637728 197580794 /nfs/dbraw/zinc/58/07/94/197580794.db2.gz GYPCGIKBQVCANU-LDYMZIIASA-N 1 0 310.195 2.405 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)Cc1ccccc1 ZINC000081923649 192339861 /nfs/dbraw/zinc/33/98/61/192339861.db2.gz CHELEBMJFPLZPG-IAGOWNOFSA-N 1 0 301.411 2.487 10 0 DEAERO COCCn1ncc(Br)c1[C@H]1CCCC[C@@H]1[NH3+] ZINC000162880775 197598506 /nfs/dbraw/zinc/59/85/06/197598506.db2.gz NRUKRPGQVSMLOY-ONGXEEELSA-N 1 0 302.216 2.277 10 0 DEAERO CCN(CCC[NH2+][C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2)S(C)(=O)=O ZINC000163184256 197616179 /nfs/dbraw/zinc/61/61/79/197616179.db2.gz ZOGXULJMRRLEJT-OFQRWUPVSA-N 1 0 316.511 2.462 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCO1 ZINC000152216000 282124980 /nfs/dbraw/zinc/12/49/80/282124980.db2.gz UKKVCIBZAPYFHI-YLFCFFPRSA-N 1 0 308.466 2.382 10 0 DEAERO C[C@]1(O)CCCN(c2ccc(C(N)=[NH2+])cc2Br)C1 ZINC000163226973 197617764 /nfs/dbraw/zinc/61/77/64/197617764.db2.gz MFUUWYAEBXAHEE-ZDUSSCGKSA-N 1 0 312.211 2.084 10 0 DEAERO C[C@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)c1ccccc1 ZINC000096780278 185387423 /nfs/dbraw/zinc/38/74/23/185387423.db2.gz ZGDHTMOSAJUSLU-HNNXBMFYSA-N 1 0 324.428 2.324 10 0 DEAERO COc1cc(OC)c2ncnc(N3CCC([NH+](C)C)CC3)c2c1 ZINC000302729891 230824876 /nfs/dbraw/zinc/82/48/76/230824876.db2.gz LOFFOTXGFCAHDE-UHFFFAOYSA-N 1 0 316.405 2.177 10 0 DEAERO CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2cc(C[NH3+])cs2)C1 ZINC000163505271 197635044 /nfs/dbraw/zinc/63/50/44/197635044.db2.gz OJPMBTSCILXEDZ-LLVKDONJSA-N 1 0 302.465 2.264 10 0 DEAERO [NH3+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(Br)cc1 ZINC000081933824 192341062 /nfs/dbraw/zinc/34/10/62/192341062.db2.gz DEQFBIQIBIFBGC-VXGBXAGGSA-N 1 0 318.236 2.493 10 0 DEAERO CC[C@@H](CS(=O)(=O)c1ccccc1Br)[NH2+]C ZINC000081932029 192341756 /nfs/dbraw/zinc/34/17/56/192341756.db2.gz BUDQRBFWGVTNBU-VIFPVBQESA-N 1 0 306.225 2.221 10 0 DEAERO CCC[NH2+][C@@H](CC)CS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935510 192342777 /nfs/dbraw/zinc/34/27/77/192342777.db2.gz IJRIJSSNWMQZSW-LBPRGKRZSA-N 1 0 313.419 2.010 10 0 DEAERO CCC[NH2+][C@@H](C)CS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936232 192343003 /nfs/dbraw/zinc/34/30/03/192343003.db2.gz XGMSVGDCKRXRHJ-LBPRGKRZSA-N 1 0 313.419 2.010 10 0 DEAERO CCc1ccc(NC(=O)CCN2CC[NH+](CC)CC2)cc1F ZINC000152408318 282143760 /nfs/dbraw/zinc/14/37/60/282143760.db2.gz HBAZHSGTXVBYDR-UHFFFAOYSA-N 1 0 307.413 2.354 10 0 DEAERO [NH3+][C@@H]([C@H](CO)Sc1ccc(Br)cn1)C1CC1 ZINC000164661487 197661315 /nfs/dbraw/zinc/66/13/15/197661315.db2.gz LAEGPEGTAXCJJD-GXSJLCMTSA-N 1 0 303.225 2.034 10 0 DEAERO Cc1ncc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C(C)C)n1 ZINC000177143574 282147210 /nfs/dbraw/zinc/14/72/10/282147210.db2.gz BRUSBCFSVSGWTB-WFASDCNBSA-N 1 0 304.438 2.367 10 0 DEAERO COc1ccccc1[C@H]1CN(C(C)C)C(=O)C12CC[NH2+]CC2 ZINC000079026806 185147261 /nfs/dbraw/zinc/14/72/61/185147261.db2.gz ATWATBQIKNIMFX-OAHLLOKOSA-N 1 0 302.418 2.399 10 0 DEAERO CCC[NH2+][C@](CSc1ncccc1Cl)(C(N)=O)C1CC1 ZINC000079449141 185172166 /nfs/dbraw/zinc/17/21/66/185172166.db2.gz MJDJDVJZGQIDQO-AWEZNQCLSA-N 1 0 313.854 2.461 10 0 DEAERO CC[NH2+][C@](C)(CCCSc1ccc(Cl)cn1)C(N)=O ZINC000079448326 185172218 /nfs/dbraw/zinc/17/22/18/185172218.db2.gz RJRBZMDPXJSYOG-CYBMUJFWSA-N 1 0 301.843 2.461 10 0 DEAERO CC(C)[NH2+][C@](C)(CCSc1ncccc1Cl)C(N)=O ZINC000079448850 185172386 /nfs/dbraw/zinc/17/23/86/185172386.db2.gz GGJXHRZYEDRWGN-CYBMUJFWSA-N 1 0 301.843 2.459 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)CCOC)c1cc2ccccc2o1 ZINC000081944468 192345592 /nfs/dbraw/zinc/34/55/92/192345592.db2.gz QLSRDOCXBHLGJU-CYBMUJFWSA-N 1 0 311.403 2.145 10 0 DEAERO C[C@@]1(C(=O)NCc2ccccc2OC(F)(F)F)CCC[NH2+]1 ZINC000079520116 185173738 /nfs/dbraw/zinc/17/37/38/185173738.db2.gz TYZGHWWZMOTNPO-ZDUSSCGKSA-N 1 0 302.296 2.344 10 0 DEAERO C[N@@H+]1CCC[C@H](CC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000082311401 185174929 /nfs/dbraw/zinc/17/49/29/185174929.db2.gz HQQIMFHWPCZYFC-MRXNPFEDSA-N 1 0 301.434 2.067 10 0 DEAERO CC[NH2+][C@H](c1ccc(CC)cc1)[C@@H](C)S(=O)(=O)CCOC ZINC000081944993 192346099 /nfs/dbraw/zinc/34/60/99/192346099.db2.gz OOHJJPSXYOBMNH-CJNGLKHVSA-N 1 0 313.463 2.349 10 0 DEAERO C[NH2+]Cc1cccc(C)c1O[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000165129232 197670160 /nfs/dbraw/zinc/67/01/60/197670160.db2.gz CGJFUNGCQKBTMW-GJZGRUSLSA-N 1 0 311.447 2.449 10 0 DEAERO C[C@@H](C[C@@](C)(O)C[NH3+])Sc1ncccc1Br ZINC000082917605 185209633 /nfs/dbraw/zinc/20/96/33/185209633.db2.gz PZRJZDUUUSXISD-GZMMTYOYSA-N 1 0 305.241 2.425 10 0 DEAERO CCc1nn(C)cc1C[NH2+][C@H]1CCCO[C@@H]1c1cnn(CC)c1 ZINC000328625699 231256839 /nfs/dbraw/zinc/25/68/39/231256839.db2.gz DKXNIMLDNAQPQY-DLBZAZTESA-N 1 0 317.437 2.209 10 0 DEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000087404090 185223922 /nfs/dbraw/zinc/22/39/22/185223922.db2.gz GQWXYPNCWCUVKQ-ZDUSSCGKSA-N 1 0 314.451 2.188 10 0 DEAERO COc1ccc(Br)cc1C[C@@H]([NH3+])c1ccn(C)n1 ZINC000087424101 185224390 /nfs/dbraw/zinc/22/43/90/185224390.db2.gz FEJXIMWWEAJEBQ-LLVKDONJSA-N 1 0 310.195 2.434 10 0 DEAERO CC(C)[NH2+]C[C@@H](O)COc1ccc(Br)c(F)c1 ZINC000087430592 185224609 /nfs/dbraw/zinc/22/46/09/185224609.db2.gz IDANYWTWTYLJLO-SECBINFHSA-N 1 0 306.175 2.326 10 0 DEAERO CC(C)[C@H](C[NH3+])C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000087517697 185227437 /nfs/dbraw/zinc/22/74/37/185227437.db2.gz WHHGQJREFURMDE-NSHDSACASA-N 1 0 307.785 2.090 10 0 DEAERO CC[C@H](C[NH3+])C(=O)NCc1cc(Br)ccc1F ZINC000087533016 185227639 /nfs/dbraw/zinc/22/76/39/185227639.db2.gz IVZAOZLGASINQY-MRVPVSSYSA-N 1 0 303.175 2.189 10 0 DEAERO CCC[NH2+][C@H](CC(N)=O)c1ccc(OC)c(OC(F)F)c1 ZINC000087551803 185228250 /nfs/dbraw/zinc/22/82/50/185228250.db2.gz DBIGYHIAWBIQDO-SNVBAGLBSA-N 1 0 302.321 2.213 10 0 DEAERO CC1(C)CCCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)CC1 ZINC000087657286 185229921 /nfs/dbraw/zinc/22/99/21/185229921.db2.gz LIRZCHIWFYEQHM-UHFFFAOYSA-N 1 0 310.463 2.487 10 0 DEAERO [NH3+][C@H](Cc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000087760339 185231483 /nfs/dbraw/zinc/23/14/83/185231483.db2.gz FHGSXNGRLDOPLM-PRHODGIISA-N 1 0 308.230 2.298 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000087778965 185231637 /nfs/dbraw/zinc/23/16/37/185231637.db2.gz NRMUOHWBFOJMBK-ZBFHGGJFSA-N 1 0 308.447 2.359 10 0 DEAERO [NH3+]CCc1ccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)s1 ZINC000087778947 185231692 /nfs/dbraw/zinc/23/16/92/185231692.db2.gz UQAOWPPVRVEWIV-AAEUAGOBSA-N 1 0 314.476 2.203 10 0 DEAERO NNc1nc(N2CCC[C@H]3CCC[C@@H]32)c(Br)c[nH+]1 ZINC000087886467 185234658 /nfs/dbraw/zinc/23/46/58/185234658.db2.gz OFORSOVCHJCPDU-SCZZXKLOSA-N 1 0 312.215 2.294 10 0 DEAERO NNc1nc(NCCc2cccs2)c(Br)c[nH+]1 ZINC000087905072 185237211 /nfs/dbraw/zinc/23/72/11/185237211.db2.gz YBLANZLPZMRDMA-UHFFFAOYSA-N 1 0 314.212 2.241 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@]1(C[NH3+])Nc1ccccc1Cl ZINC000087915969 185237351 /nfs/dbraw/zinc/23/73/51/185237351.db2.gz DYQIUKZHOARAMY-OLZOCXBDSA-N 1 0 302.827 2.047 10 0 DEAERO [NH3+]C[C@H](NC[C@H]1CCCO1)c1ccc(Br)cc1F ZINC000087928581 185237578 /nfs/dbraw/zinc/23/75/78/185237578.db2.gz FCIKQTIYEWDMAR-MFKMUULPSA-N 1 0 317.202 2.357 10 0 DEAERO COc1ccc(Br)cc1C[C@@]1(C[NH3+])CCC[C@@H]1O ZINC000087931873 185237784 /nfs/dbraw/zinc/23/77/84/185237784.db2.gz YXWAYQFVPBIXDV-UONOGXRCSA-N 1 0 314.223 2.490 10 0 DEAERO COc1ccc(C[S@@](=O)C[C@@H](C)[NH3+])cc1Br ZINC000088069719 185238544 /nfs/dbraw/zinc/23/85/44/185238544.db2.gz URKQSTQJHXDJER-VPTHRUTESA-N 1 0 306.225 2.054 10 0 DEAERO CC(C)(C)c1ccc(SC[C@H](O)CN2CC[NH2+]CC2)cc1 ZINC000088061879 185238707 /nfs/dbraw/zinc/23/87/07/185238707.db2.gz MHTLFXDNZLWGAS-OAHLLOKOSA-N 1 0 308.491 2.342 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Br)c(F)c1 ZINC000088084040 185239089 /nfs/dbraw/zinc/23/90/89/185239089.db2.gz OECBOYVPKHDXDV-APPZFPTMSA-N 1 0 301.159 2.382 10 0 DEAERO C[C@@H](C(=O)N(C)C)n1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837053 185233110 /nfs/dbraw/zinc/23/31/10/185233110.db2.gz CGTFFUBSDYKYLW-ZETCQYMHSA-N 1 0 311.183 2.030 10 0 DEAERO C[C@@H](Nc1nc(NN)[nH+]cc1Br)c1ccccn1 ZINC000087853561 185233613 /nfs/dbraw/zinc/23/36/13/185233613.db2.gz SOAGKDCLGPYVRY-SSDOTTSWSA-N 1 0 309.171 2.093 10 0 DEAERO C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000173509836 282191155 /nfs/dbraw/zinc/19/11/55/282191155.db2.gz CBNAZHHAXRIXBD-YPMHNXCESA-N 1 0 311.376 2.414 10 0 DEAERO Cc1ccc(Nc2cc(NN)[nH+]c(N)n2)c(Br)c1 ZINC000087886114 185234398 /nfs/dbraw/zinc/23/43/98/185234398.db2.gz YHJBLHIPDTXABX-UHFFFAOYSA-N 1 0 309.171 2.159 10 0 DEAERO CC1CC(=O)N(c2ccc(C[NH3+])c(C(F)(F)F)c2)C(=O)C1 ZINC000088191311 185241298 /nfs/dbraw/zinc/24/12/98/185241298.db2.gz HRODZJIABHRGJV-UHFFFAOYSA-N 1 0 300.280 2.454 10 0 DEAERO CC(C)[NH+](CCCNC(=O)NC[C@H]1CCCC[C@H]1O)C(C)C ZINC000174354578 282193674 /nfs/dbraw/zinc/19/36/74/282193674.db2.gz QHQOWSLKIOVDHL-HZPDHXFCSA-N 1 0 313.486 2.346 10 0 DEAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328919432 231386822 /nfs/dbraw/zinc/38/68/22/231386822.db2.gz SLTWYJZKKOXZHY-GNNTXSLPSA-N 1 0 307.438 2.263 10 0 DEAERO CC[C@H](C[NH3+])S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000088472147 185252388 /nfs/dbraw/zinc/25/23/88/185252388.db2.gz UKMNLTZYMQYUJQ-SNVBAGLBSA-N 1 0 312.313 2.064 10 0 DEAERO FC(F)(F)C1CCN(C[C@]2(C[NH2+]C3CC3)CCOC2)CC1 ZINC000088436679 185250346 /nfs/dbraw/zinc/25/03/46/185250346.db2.gz RBOXIBWZTKBQAS-CQSZACIVSA-N 1 0 306.372 2.419 10 0 DEAERO C[C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000088516367 185254657 /nfs/dbraw/zinc/25/46/57/185254657.db2.gz FGTCOOCMZSXUEB-AAEUAGOBSA-N 1 0 316.492 2.496 10 0 DEAERO Cc1ccc2c(N)c(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])sc2n1 ZINC000088641343 185261046 /nfs/dbraw/zinc/26/10/46/185261046.db2.gz JUMJZVLBFWEQCI-GHMZBOCLSA-N 1 0 304.419 2.187 10 0 DEAERO CC[NH2+][C@H](C)c1nnc(-c2cccc(S(C)(=O)=O)c2)s1 ZINC000088821163 185266505 /nfs/dbraw/zinc/26/65/05/185266505.db2.gz KMNCKRCPVQALFE-SECBINFHSA-N 1 0 311.432 2.279 10 0 DEAERO Cc1ccccc1S(=O)(=O)N(C)c1cccc(C(N)=[NH2+])c1 ZINC000088716940 185263000 /nfs/dbraw/zinc/26/30/00/185263000.db2.gz OLXDJPHQGHOXAE-UHFFFAOYSA-N 1 0 303.387 2.104 10 0 DEAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)CCCOC)C1 ZINC000081986377 192349977 /nfs/dbraw/zinc/34/99/77/192349977.db2.gz LRHZHTUOBBUMSL-HZSPNIEDSA-N 1 0 305.484 2.370 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)C1CCOCC1)c1cc(C)ccc1C ZINC000081990438 192351245 /nfs/dbraw/zinc/35/12/45/192351245.db2.gz YQJMHUUSOQIWNH-INIZCTEOSA-N 1 0 311.447 2.158 10 0 DEAERO COc1ccc2c(c1)CC[C@@H](S(=O)(=O)C1CCCC1)[C@@H]2[NH3+] ZINC000081988637 192351259 /nfs/dbraw/zinc/35/12/59/192351259.db2.gz VHHOAPGJIFAKND-HZPDHXFCSA-N 1 0 309.431 2.367 10 0 DEAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000081989516 192351411 /nfs/dbraw/zinc/35/14/11/192351411.db2.gz MMRFEZFNCDIPFR-CZUORRHYSA-N 1 0 311.447 2.320 10 0 DEAERO CCCCS(=O)(=O)C[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000082004324 192352999 /nfs/dbraw/zinc/35/29/99/192352999.db2.gz XQJCKIZEAMDBKN-ZDUSSCGKSA-N 1 0 313.419 2.063 10 0 DEAERO OC[C@@H](O)C[NH2+][C@H](c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000090282402 185289370 /nfs/dbraw/zinc/28/93/70/185289370.db2.gz KGTOJQOFQJKELX-HOTGVXAUSA-N 1 0 307.777 2.078 10 0 DEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1cc(SC)ccc1Cl ZINC000090311743 185290413 /nfs/dbraw/zinc/29/04/13/185290413.db2.gz NFVMUYADKDBEHF-XQQFMLRXSA-N 1 0 314.838 2.296 10 0 DEAERO Cc1c(Br)cccc1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321629 185290925 /nfs/dbraw/zinc/29/09/25/185290925.db2.gz IYPFZBAPOIJBSA-QWRGUYRKSA-N 1 0 309.207 2.049 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(Cl)ccc1OC ZINC000090331140 185291307 /nfs/dbraw/zinc/29/13/07/185291307.db2.gz CCGLHCCCDNHZTG-DDTOSNHZSA-N 1 0 308.809 2.419 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Cl)cc1OC ZINC000090330854 185291336 /nfs/dbraw/zinc/29/13/36/185291336.db2.gz CFOWEVGJASZVTD-LERXQTSPSA-N 1 0 308.809 2.419 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)COc1ccc(Cl)cc1 ZINC000090336491 185291539 /nfs/dbraw/zinc/29/15/39/185291539.db2.gz QLZZXBICFRXTRO-RISCZKNCSA-N 1 0 308.809 2.175 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)COc1ccc(Cl)cc1 ZINC000090336492 185291669 /nfs/dbraw/zinc/29/16/69/185291669.db2.gz QLZZXBICFRXTRO-SMDDNHRTSA-N 1 0 308.809 2.175 10 0 DEAERO CC[C@H]([NH3+])CSCC(=O)NC(=O)c1ccc(Cl)cc1 ZINC000090357030 185292307 /nfs/dbraw/zinc/29/23/07/185292307.db2.gz MDGGVWGMPISZKU-NSHDSACASA-N 1 0 300.811 2.067 10 0 DEAERO CCCSc1nsc(NC(=O)CS[C@H](C)CC[NH3+])n1 ZINC000090354693 185292444 /nfs/dbraw/zinc/29/24/44/185292444.db2.gz LOHNQJSBTUBMNW-MRVPVSSYSA-N 1 0 320.509 2.449 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)Cc1ccccc1Cl ZINC000090489114 185298866 /nfs/dbraw/zinc/29/88/66/185298866.db2.gz KVHYJOCCBQULSV-CORIIIEPSA-N 1 0 310.825 2.012 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000090380500 185293719 /nfs/dbraw/zinc/29/37/19/185293719.db2.gz CMVABRZEWQCGQO-VXNVDRBHSA-N 1 0 308.687 2.271 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000090436574 185296059 /nfs/dbraw/zinc/29/60/59/185296059.db2.gz SPRCFJLCMGKOEU-SCZZXKLOSA-N 1 0 320.723 2.114 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000090433009 185296103 /nfs/dbraw/zinc/29/61/03/185296103.db2.gz YXPFUKYYRIFPKT-KOLCDFICSA-N 1 0 323.443 2.191 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000090435293 185296329 /nfs/dbraw/zinc/29/63/29/185296329.db2.gz GGFPMKRSCFOZFI-QWHCGFSZSA-N 1 0 317.216 2.186 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1CN(C)Cc1cc(Br)cs1 ZINC000090438880 185296506 /nfs/dbraw/zinc/29/65/06/185296506.db2.gz JNAJQKVHBJYAEQ-CABZTGNLSA-N 1 0 319.268 2.177 10 0 DEAERO CC[NH2+][C@H]1COC[C@H]1c1nc2cc(Br)ccc2[nH]1 ZINC000090472513 185298205 /nfs/dbraw/zinc/29/82/05/185298205.db2.gz BXXQOUQWRJOBGP-SKDRFNHKSA-N 1 0 310.195 2.417 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1c1nc2cc(Br)ccc2n1C ZINC000090472519 185298208 /nfs/dbraw/zinc/29/82/08/185298208.db2.gz NBUJQFJXGUPQAW-ZYHUDNBSSA-N 1 0 324.222 2.428 10 0 DEAERO CC(C)Oc1ccc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])cc1Cl ZINC000090588727 185305337 /nfs/dbraw/zinc/30/53/37/185305337.db2.gz RGKOLTABLDODMJ-ZFWWWQNUSA-N 1 0 312.797 2.430 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000090543850 185302106 /nfs/dbraw/zinc/30/21/06/185302106.db2.gz IOVIJMJQXBRBJE-WDEREUQCSA-N 1 0 311.451 2.394 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000090543855 185302150 /nfs/dbraw/zinc/30/21/50/185302150.db2.gz IOVIJMJQXBRBJE-MNOVXSKESA-N 1 0 311.451 2.394 10 0 DEAERO C[C@@]1(c2nc(-c3ccc(Br)cc3)no2)COC[C@H]1[NH3+] ZINC000090573325 185304271 /nfs/dbraw/zinc/30/42/71/185304271.db2.gz GSDMEUJYBQNVKN-ZWNOBZJWSA-N 1 0 324.178 2.114 10 0 DEAERO C[C@@]1(c2nc(Cc3ccc(F)cc3Cl)no2)COC[C@@H]1[NH3+] ZINC000090573790 185304409 /nfs/dbraw/zinc/30/44/09/185304409.db2.gz MQGCAMZQXGNLPF-SMDDNHRTSA-N 1 0 311.744 2.068 10 0 DEAERO CCn1c2ccc(Br)cc2nc1[C@]1(C)COC[C@@H]1[NH3+] ZINC000090571760 185304491 /nfs/dbraw/zinc/30/44/91/185304491.db2.gz SXEJPMZIKOSAKY-GXTWGEPZSA-N 1 0 324.222 2.434 10 0 DEAERO Brc1cncnc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000090781711 185311925 /nfs/dbraw/zinc/31/19/25/185311925.db2.gz CIZHVXLYENVESH-LBPRGKRZSA-N 1 0 311.227 2.208 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CCCN(c2ncncc2Br)C1 ZINC000090781684 185311940 /nfs/dbraw/zinc/31/19/40/185311940.db2.gz ZAQPOLKLJCNSSZ-NSHDSACASA-N 1 0 313.243 2.454 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](S(=O)(=O)C1CCCC1)CC2 ZINC000092388728 185315151 /nfs/dbraw/zinc/31/51/51/185315151.db2.gz OXJIMHDQMKMLCH-CVEARBPZSA-N 1 0 309.431 2.367 10 0 DEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1S(=O)(=O)CC(C)C ZINC000092388611 185315343 /nfs/dbraw/zinc/31/53/43/185315343.db2.gz YWXNHLOMXNZKSS-CVEARBPZSA-N 1 0 311.447 2.341 10 0 DEAERO O=C(NCc1ccccc1)C1CC[NH+](CC2=CCCOC2)CC1 ZINC000179749952 282233180 /nfs/dbraw/zinc/23/31/80/282233180.db2.gz RMMQUDDEXXNAMD-UHFFFAOYSA-N 1 0 314.429 2.362 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)n1cnc(C(=O)OC)n1 ZINC000167352840 197707163 /nfs/dbraw/zinc/70/71/63/197707163.db2.gz HZZLFPMBXBLMQQ-NWDGAFQWSA-N 1 0 308.769 2.045 10 0 DEAERO CC[N@@H+]1CCC[C@@H](n2c(N)nc3cc(Br)cnc32)C1 ZINC000092575481 185326842 /nfs/dbraw/zinc/32/68/42/185326842.db2.gz UXLLMCBCIBQHKK-SNVBAGLBSA-N 1 0 324.226 2.433 10 0 DEAERO Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000245538323 282244896 /nfs/dbraw/zinc/24/48/96/282244896.db2.gz JULHMLITUBKBHF-UKRRQHHQSA-N 1 0 312.417 2.267 10 0 DEAERO COCCOc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000092616213 185329423 /nfs/dbraw/zinc/32/94/23/185329423.db2.gz HWTPRQBZICLHJC-QGZVFWFLSA-N 1 0 304.434 2.382 10 0 DEAERO O=C(NC1CC[NH+](CC2=CCCOC2)CC1)C1CCCCC1 ZINC000092644819 185330811 /nfs/dbraw/zinc/33/08/11/185330811.db2.gz ZPSNGVKVYKYDKC-UHFFFAOYSA-N 1 0 306.450 2.494 10 0 DEAERO CC[NH2+]Cc1ccc(SC[C@H](O)CO)cc1C(F)(F)F ZINC000167592656 197711204 /nfs/dbraw/zinc/71/12/04/197711204.db2.gz AVUVADDXYLRLTI-SNVBAGLBSA-N 1 0 309.353 2.260 10 0 DEAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(F)cc1C(F)(F)F ZINC000167632281 197711624 /nfs/dbraw/zinc/71/16/24/197711624.db2.gz BLTNPQCUDFBMDC-CHWSQXEVSA-N 1 0 306.303 2.436 10 0 DEAERO C[NH2+]Cc1sc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1C ZINC000092833285 185344852 /nfs/dbraw/zinc/34/48/52/185344852.db2.gz QRVXPPATSACXCI-UHFFFAOYSA-N 1 0 316.492 2.489 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](Sc1nnc(N(C)C)s1)C2 ZINC000092860055 185347059 /nfs/dbraw/zinc/34/70/59/185347059.db2.gz MRWOGIHTEYCPJI-NWDGAFQWSA-N 1 0 322.459 2.330 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2ncn(-c3ccccc3)n2)[C@H](C)C1 ZINC000092804879 185342617 /nfs/dbraw/zinc/34/26/17/185342617.db2.gz RELKKXJOQRKXHT-WBVHZDCISA-N 1 0 313.449 2.429 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000092951636 185350363 /nfs/dbraw/zinc/35/03/63/185350363.db2.gz BQFYHOGHMUTITN-WDEREUQCSA-N 1 0 304.781 2.462 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000036076817 539334062 /nfs/dbraw/zinc/33/40/62/539334062.db2.gz ZDUNZVDFDUJOTM-LBPRGKRZSA-N 1 0 318.870 2.490 10 0 DEAERO C[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)CC1(CO)CC1 ZINC000186784031 282283763 /nfs/dbraw/zinc/28/37/63/282283763.db2.gz CWCPOSCWNQEZOF-KRWDZBQOSA-N 1 0 305.418 2.449 10 0 DEAERO c1ccc2c(c1)C[C@@H]1C[N@H+](CCOC3CCOCC3)CCCN21 ZINC000625433681 365782912 /nfs/dbraw/zinc/78/29/12/365782912.db2.gz PUXSOYBWFZHDBC-QGZVFWFLSA-N 1 0 316.445 2.319 10 0 DEAERO COc1ccc(OC)c(C[N@H+](C[C@@H](O)CSC)C2CC2)c1 ZINC000187815522 282291471 /nfs/dbraw/zinc/29/14/71/282291471.db2.gz IXGUXKLUUSPTMK-CQSZACIVSA-N 1 0 311.447 2.392 10 0 DEAERO C[C@H](CNC(=O)c1coc(Br)c1)[NH+]1CCCC1 ZINC000078595631 539368402 /nfs/dbraw/zinc/36/84/02/539368402.db2.gz SMPCURWEUPMJDE-SECBINFHSA-N 1 0 301.184 2.256 10 0 DEAERO Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000049526294 190677771 /nfs/dbraw/zinc/67/77/71/190677771.db2.gz SKTIYOVQWQVWKG-CYBMUJFWSA-N 1 0 304.415 2.493 10 0 DEAERO C[C@H]1CCC[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000086889421 539404282 /nfs/dbraw/zinc/40/42/82/539404282.db2.gz UTIZZWIQRUGVJH-ZFWWWQNUSA-N 1 0 310.463 2.435 10 0 DEAERO C[NH2+]C1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1 ZINC000237111031 282374744 /nfs/dbraw/zinc/37/47/44/282374744.db2.gz LLUVWGLWXLCHJY-UHFFFAOYSA-N 1 0 312.417 2.015 10 0 DEAERO C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000063313034 190696406 /nfs/dbraw/zinc/69/64/06/190696406.db2.gz OZOBLNWAIKYZDI-UHFFFAOYSA-N 1 0 307.131 2.028 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(C)cc1 ZINC000245413679 282385422 /nfs/dbraw/zinc/38/54/22/282385422.db2.gz BRFUVBQTLQKAKL-SJORKVTESA-N 1 0 301.434 2.492 10 0 DEAERO Cc1nn(C)cc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120888250 539453131 /nfs/dbraw/zinc/45/31/31/539453131.db2.gz NJXLJGFUOHRECF-UHFFFAOYSA-N 1 0 310.405 2.151 10 0 DEAERO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000227971157 201809251 /nfs/dbraw/zinc/80/92/51/201809251.db2.gz WRDZQEYXZLCCPA-ZANVPECISA-N 1 0 318.186 2.218 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000111267494 185569185 /nfs/dbraw/zinc/56/91/85/185569185.db2.gz RCZSEJTVVJUPAI-GHMZBOCLSA-N 1 0 304.781 2.320 10 0 DEAERO COCCN(CC(C)C)c1nc2sccn2c1C[C@H](C)[NH3+] ZINC000111502985 185609844 /nfs/dbraw/zinc/60/98/44/185609844.db2.gz DNERODGGQHZVMV-LBPRGKRZSA-N 1 0 310.467 2.394 10 0 DEAERO CCC[NH2+]Cc1ccc(SCCS(C)(=O)=O)c(F)c1 ZINC000111553346 185612250 /nfs/dbraw/zinc/61/22/50/185612250.db2.gz ALBMWPIRUQIZCA-UHFFFAOYSA-N 1 0 305.440 2.462 10 0 DEAERO CC(C)[NH2+]CC1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000111721514 185632087 /nfs/dbraw/zinc/63/20/87/185632087.db2.gz SFIHVGOUBWBASO-UHFFFAOYSA-N 1 0 302.465 2.147 10 0 DEAERO CC(=O)Nc1ccc(F)c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000068224456 190756018 /nfs/dbraw/zinc/75/60/18/190756018.db2.gz AQOOKHMJEMWHRD-CQSZACIVSA-N 1 0 323.412 2.490 10 0 DEAERO [NH3+]C[C@@H](NC(=O)N1CCO[C@H](C2CCCCC2)C1)C1CCCC1 ZINC000333810430 282969196 /nfs/dbraw/zinc/96/91/96/282969196.db2.gz JEMDIZWNWQCQCW-SJORKVTESA-N 1 0 323.481 2.495 10 0 DEAERO c1ccc2cc(CC[NH+]3CCN(c4nccnn4)CC3)ccc2c1 ZINC000625636829 365856677 /nfs/dbraw/zinc/85/66/77/365856677.db2.gz LMRXOEAJCIUURH-UHFFFAOYSA-N 1 0 319.412 2.390 10 0 DEAERO O=C(CC[NH2+][C@H]1CCOC2(CCSCC2)C1)N1CCCC1 ZINC000123968406 185862757 /nfs/dbraw/zinc/86/27/57/185862757.db2.gz VYWNBAVHYBECHD-AWEZNQCLSA-N 1 0 312.479 2.033 10 0 DEAERO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(C)cc(C)c2)CC1 ZINC000070189588 190869650 /nfs/dbraw/zinc/86/96/50/190869650.db2.gz DUSLOGNVIMZLFZ-UHFFFAOYSA-N 1 0 310.463 2.314 10 0 DEAERO CCOC(=O)c1nc(CN2CCCC[C@H]2CC[NH2+]C)cs1 ZINC000070193030 190870261 /nfs/dbraw/zinc/87/02/61/190870261.db2.gz BILBRVLVYZLJNU-ZDUSSCGKSA-N 1 0 311.451 2.284 10 0 DEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCSC[C@@H]2C)cc1 ZINC000070222797 190873640 /nfs/dbraw/zinc/87/36/40/190873640.db2.gz WHDPOFXSPCMHMI-NWDGAFQWSA-N 1 0 314.476 2.093 10 0 DEAERO [NH3+]CC[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1 ZINC000616586132 362894510 /nfs/dbraw/zinc/89/45/10/362894510.db2.gz UZMPZXDMYJFBEH-ZDUSSCGKSA-N 1 0 317.414 2.025 10 0 DEAERO CCC[NH2+][C@@H]1CCO[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1 ZINC000070342308 190881716 /nfs/dbraw/zinc/88/17/16/190881716.db2.gz KTAADTVTYVWPMR-GDBMZVCRSA-N 1 0 311.447 2.484 10 0 DEAERO CC(C)[NH2+]C[C@](C)(C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000126990986 185910466 /nfs/dbraw/zinc/91/04/66/185910466.db2.gz DVOYUTGYWWSNFE-HOCLYGCPSA-N 1 0 316.511 2.462 10 0 DEAERO CC(C)(C)OC(=O)Nc1cccc([C@@H]2CN(CC[NH3+])CCO2)c1 ZINC000616648530 362905016 /nfs/dbraw/zinc/90/50/16/362905016.db2.gz NLAYMXGIDGHNQF-HNNXBMFYSA-N 1 0 321.421 2.366 10 0 DEAERO [NH3+][C@@H]1CCN(c2cc(-c3ccncc3)nc(-c3ccncc3)n2)C1 ZINC000070455868 190895436 /nfs/dbraw/zinc/89/54/36/190895436.db2.gz JDCBWHCGJNBKLF-OAHLLOKOSA-N 1 0 318.384 2.138 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)Cc2ccncc2)ccc1F ZINC000182019959 199375258 /nfs/dbraw/zinc/37/52/58/199375258.db2.gz PBZXXWXEVSFHNB-UHFFFAOYSA-N 1 0 301.365 2.141 10 0 DEAERO Clc1cccc([C@@H](C[NH2+][C@@H]2CCCOC2)N2CCOCC2)c1 ZINC000180536397 539645814 /nfs/dbraw/zinc/64/58/14/539645814.db2.gz VLLZNBOFTQSORI-IAGOWNOFSA-N 1 0 324.852 2.482 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(F)c3)C2=O)n(C)n1 ZINC000080526951 192165008 /nfs/dbraw/zinc/16/50/08/192165008.db2.gz SPFZFCDBQTUAOJ-HNNXBMFYSA-N 1 0 316.380 2.153 10 0 DEAERO CCCC[NH2+]C[C@H](C)n1cc(I)cn1 ZINC000070679205 190911056 /nfs/dbraw/zinc/91/10/56/190911056.db2.gz FSDHAFKIBGMVCY-VIFPVBQESA-N 1 0 307.179 2.438 10 0 DEAERO CCCCNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190676757 539696146 /nfs/dbraw/zinc/69/61/46/539696146.db2.gz UUJKIUMETXYYCB-MRXNPFEDSA-N 1 0 304.438 2.345 10 0 DEAERO CCn1c(=O)[nH]nc1Sc1cccc(OC)c1[C@@H](C)[NH2+]C ZINC000130355070 185958786 /nfs/dbraw/zinc/95/87/86/185958786.db2.gz WNEFIGFDDBZARI-SECBINFHSA-N 1 0 308.407 2.032 10 0 DEAERO C[NH2+][C@H](Cc1sccc1Br)[C@H]1COCCO1 ZINC000083743263 192380512 /nfs/dbraw/zinc/38/05/12/192380512.db2.gz HRANBUSOZMZGJA-NXEZZACHSA-N 1 0 306.225 2.057 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Br)s1)[C@H]1COCCO1 ZINC000083743250 192380586 /nfs/dbraw/zinc/38/05/86/192380586.db2.gz FPXVAKIJBDAZNG-VHSXEESVSA-N 1 0 306.225 2.057 10 0 DEAERO Cc1cc(C)cc(OC[C@@H](O)CN2CCC([NH+](C)C)CC2)c1 ZINC000193812671 539715055 /nfs/dbraw/zinc/71/50/55/539715055.db2.gz NIMUPMNZECUJDJ-KRWDZBQOSA-N 1 0 306.450 2.069 10 0 DEAERO [NH3+][C@H](C[S@@](=O)Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000084004311 192395027 /nfs/dbraw/zinc/39/50/27/192395027.db2.gz TYEOPWRJOFTCEF-SPLOXXLWSA-N 1 0 303.383 2.364 10 0 DEAERO CCCC[S@@](=O)[C@@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000084038479 192396931 /nfs/dbraw/zinc/39/69/31/192396931.db2.gz FSLUTAXUVNQYIR-MNVSYLFESA-N 1 0 303.468 2.199 10 0 DEAERO CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1Sc1n[nH]c(=O)n1C ZINC000083966947 192393321 /nfs/dbraw/zinc/39/33/21/192393321.db2.gz YMMMVIWFZXHQCA-TUAOUCFPSA-N 1 0 312.483 2.393 10 0 DEAERO CO[C@@H](C)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000224202419 539729279 /nfs/dbraw/zinc/72/92/79/539729279.db2.gz KBGWVELQKDIBBO-VHSXEESVSA-N 1 0 308.205 2.358 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000228720958 539731829 /nfs/dbraw/zinc/73/18/29/539731829.db2.gz GQORDZGTFVLTEZ-OUAUKWLOSA-N 1 0 322.232 2.340 10 0 DEAERO C[C@@H]([NH3+])c1nc2cc(F)ccc2n1CC(=O)N1CCCCC1 ZINC000071663638 191000761 /nfs/dbraw/zinc/00/07/61/191000761.db2.gz JGJIGMXHZNQIBE-LLVKDONJSA-N 1 0 304.369 2.208 10 0 DEAERO CCC[NH2+][C@@](C)(C[C@H](C)Oc1cccc(F)c1F)C(N)=O ZINC000084397343 192427633 /nfs/dbraw/zinc/42/76/33/192427633.db2.gz IMOCSPQNLWJXAC-BONVTDFDSA-N 1 0 300.349 2.366 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000084430105 192430926 /nfs/dbraw/zinc/43/09/26/192430926.db2.gz JTUCOKFHVFJQOP-PWSUYJOCSA-N 1 0 318.236 2.493 10 0 DEAERO Cc1nn(C)c(C)c1CN1Cc2c(cccc2N(C)C)[C@@H]1C[NH3+] ZINC000071683403 191006784 /nfs/dbraw/zinc/00/67/84/191006784.db2.gz SEUBENHWWAXAFH-SFHVURJKSA-N 1 0 313.449 2.119 10 0 DEAERO COc1cc2c(c(OC)c1)[C@H](C[NH3+])N(CCCOC(C)C)C2 ZINC000071683938 191008144 /nfs/dbraw/zinc/00/81/44/191008144.db2.gz RPSLCDDMWFTJRC-HNNXBMFYSA-N 1 0 308.422 2.334 10 0 DEAERO COc1ccc(Cl)c2c1CN(C1CCC(O)CC1)[C@H]2C[NH3+] ZINC000071684021 191008780 /nfs/dbraw/zinc/00/87/80/191008780.db2.gz RLBOEZCIIQSDOY-MGULZYLOSA-N 1 0 310.825 2.468 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](S(=O)(=O)c2cccc(Br)c2)C1 ZINC000084430319 192430023 /nfs/dbraw/zinc/43/00/23/192430023.db2.gz VLKSAJMFGBVVNG-PWSUYJOCSA-N 1 0 318.236 2.493 10 0 DEAERO CN(C(=O)c1ccc2nc(N)sc2c1)C1CC[NH+](C)CC1 ZINC000071698012 191009481 /nfs/dbraw/zinc/00/94/81/191009481.db2.gz SDPOKSCFPMREMA-UHFFFAOYSA-N 1 0 304.419 2.045 10 0 DEAERO [NH3+]Cc1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 ZINC000071699733 191010305 /nfs/dbraw/zinc/01/03/05/191010305.db2.gz DOALHKXRAQZJQX-NSHDSACASA-N 1 0 304.375 2.101 10 0 DEAERO C[NH+](C)CC(C)(C)CN1C(=O)C2(CC2)N[C@H]1c1ccsc1 ZINC000138203271 186014735 /nfs/dbraw/zinc/01/47/35/186014735.db2.gz WQTKCALYPWUEGL-CYBMUJFWSA-N 1 0 307.463 2.299 10 0 DEAERO CCCCN(C)S(=O)(=O)c1cc(C[NH2+]CC)cc(F)c1F ZINC000138306049 186015947 /nfs/dbraw/zinc/01/59/47/186015947.db2.gz BQLWOZOSRIIHFL-UHFFFAOYSA-N 1 0 320.405 2.495 10 0 DEAERO [NH3+]Cc1cc(F)c(F)c(S(=O)(=O)NC2CCCCCC2)c1 ZINC000138584433 186017841 /nfs/dbraw/zinc/01/78/41/186017841.db2.gz USIKRYJWIAGFGD-UHFFFAOYSA-N 1 0 318.389 2.425 10 0 DEAERO CCC(C)(C)N(C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139094352 186020075 /nfs/dbraw/zinc/02/00/75/186020075.db2.gz XYQQZCFTIGHHSA-UHFFFAOYSA-N 1 0 306.378 2.233 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N[C@@H]2CC[C@@H](C)C2)c1 ZINC000139359137 186021505 /nfs/dbraw/zinc/02/15/05/186021505.db2.gz GDPVAFVAMWGQCG-MWLCHTKSSA-N 1 0 318.389 2.151 10 0 DEAERO CC(C)Cn1ncnc1C[C@H]([NH3+])c1ncccc1Br ZINC000140341930 186026064 /nfs/dbraw/zinc/02/60/64/186026064.db2.gz KYXXQTHHSAXFFN-NSHDSACASA-N 1 0 324.226 2.334 10 0 DEAERO CC[C@@H]1N[C@@H](c2cccs2)N(C[C@@H]2CC[N@H+](CC)C2)C1=O ZINC000142238670 186031872 /nfs/dbraw/zinc/03/18/72/186031872.db2.gz LYZMBDJDYSRSQD-VNHYZAJKSA-N 1 0 307.463 2.299 10 0 DEAERO C[C@H]1OCC[C@@]1(C[NH3+])N(C)Cc1cccc(Br)c1 ZINC000147946082 186042747 /nfs/dbraw/zinc/04/27/47/186042747.db2.gz KKDMBLKZHZWMQQ-RISCZKNCSA-N 1 0 313.239 2.387 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](C)C(=O)N2C[C@@H]2CCCC[N@@H+]2C)s1 ZINC000144329871 186034680 /nfs/dbraw/zinc/03/46/80/186034680.db2.gz FULWTAVEWPYHFZ-VNHYZAJKSA-N 1 0 307.463 2.360 10 0 DEAERO CC[NH2+]Cc1ccc(F)c(S(=O)(=O)N(C)C2CCC2)c1 ZINC000144616636 186035575 /nfs/dbraw/zinc/03/55/75/186035575.db2.gz LELJJORALKSZBA-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO C[C@@H](CN1C(=O)C2(CCCC2)N[C@H]1c1cccs1)[NH+](C)C ZINC000144941831 186035739 /nfs/dbraw/zinc/03/57/39/186035739.db2.gz NFQQEWGKFRKAOH-GXTWGEPZSA-N 1 0 307.463 2.441 10 0 DEAERO CC(C)(C)c1nc(-n2ccc(C(F)(F)F)n2)cc(NN)[nH+]1 ZINC000147271879 186038923 /nfs/dbraw/zinc/03/89/23/186038923.db2.gz IKLDFTVMCVGZTR-UHFFFAOYSA-N 1 0 300.288 2.264 10 0 DEAERO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000149313672 186049295 /nfs/dbraw/zinc/04/92/95/186049295.db2.gz HEGLUONOUNWUKG-ZBFHGGJFSA-N 1 0 310.463 2.194 10 0 DEAERO c1cn2cc(CN3C[C@@H](C4CC4)[NH2+]C[C@@H]3C3CC3)nc2s1 ZINC000149540076 186050926 /nfs/dbraw/zinc/05/09/26/186050926.db2.gz PUIOSURPUUHGQS-LSDHHAIUSA-N 1 0 302.447 2.358 10 0 DEAERO c1ccc(CN2CCCO[C@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000248741424 539775633 /nfs/dbraw/zinc/77/56/33/539775633.db2.gz DNEOCZZVLJFULS-ZWKOTPCHSA-N 1 0 304.434 2.046 10 0 DEAERO CC1(C)CCC[C@H](NS(=O)(=O)CCC2CC[NH2+]CC2)C1 ZINC000149965604 186053467 /nfs/dbraw/zinc/05/34/67/186053467.db2.gz VTPMPHALYBEMSH-AWEZNQCLSA-N 1 0 302.484 2.264 10 0 DEAERO [NH3+][C@@H](c1cccc(OC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000150018406 186053947 /nfs/dbraw/zinc/05/39/47/186053947.db2.gz KMGXRNVLMFTQNZ-KOLCDFICSA-N 1 0 309.309 2.020 10 0 DEAERO CC(C)[NH2+]C[C@H](C)S(=O)(=O)NCCCCC(F)(F)F ZINC000149993345 186054039 /nfs/dbraw/zinc/05/40/39/186054039.db2.gz LGCIDVJMKDJTBQ-JTQLQIEISA-N 1 0 304.378 2.025 10 0 DEAERO CCC[NH2+]CCCCS(=O)(=O)NCCCC(F)(F)F ZINC000149986022 186054227 /nfs/dbraw/zinc/05/42/27/186054227.db2.gz YPJAJWBXMGTVEZ-UHFFFAOYSA-N 1 0 304.378 2.028 10 0 DEAERO CC[NH2+][C@@H](c1cccc2ncccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000150107703 186054447 /nfs/dbraw/zinc/05/44/47/186054447.db2.gz JUDSGTZVLIVTSN-MLGOLLRUSA-N 1 0 304.415 2.320 10 0 DEAERO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2CC)CC1 ZINC000150743813 186062477 /nfs/dbraw/zinc/06/24/77/186062477.db2.gz DCCLPAMJWZDYAO-MRXNPFEDSA-N 1 0 324.465 2.443 10 0 DEAERO COc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1OC ZINC000155687629 186103197 /nfs/dbraw/zinc/10/31/97/186103197.db2.gz BHCHYLOVBJDDOB-JSGCOSHPSA-N 1 0 306.406 2.162 10 0 DEAERO CCCN(CC(=O)NC)c1ccc(C(F)(F)F)c(C[NH3+])c1 ZINC000163974118 186144391 /nfs/dbraw/zinc/14/43/91/186144391.db2.gz QZFASPHTFSZBND-UHFFFAOYSA-N 1 0 303.328 2.127 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NC2CC(C)C2)c(F)c1 ZINC000163993029 186145278 /nfs/dbraw/zinc/14/52/78/186145278.db2.gz RTZYVYLLACGJIY-UHFFFAOYSA-N 1 0 300.399 2.012 10 0 DEAERO CC(C)n1ncc(Br)c1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000164066180 186147763 /nfs/dbraw/zinc/14/77/63/186147763.db2.gz XSFBPRMIPPQWPT-SECBINFHSA-N 1 0 300.200 2.409 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000164135224 186149826 /nfs/dbraw/zinc/14/98/26/186149826.db2.gz LJIJUGNQBBDCNE-GJZGRUSLSA-N 1 0 317.433 2.425 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N(CCO)CCOC ZINC000164210274 186151727 /nfs/dbraw/zinc/15/17/27/186151727.db2.gz RXUHCRAPFHKUNE-GXFFZTMASA-N 1 0 306.859 2.121 10 0 DEAERO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000164322093 186155627 /nfs/dbraw/zinc/15/56/27/186155627.db2.gz RLCZBHHEYUVWKA-BCTVWOGZSA-N 1 0 308.216 2.445 10 0 DEAERO Cn1c2ccc(S(C)(=O)=O)cc2nc1[C@@H]1CCCCC[NH2+]1 ZINC000164371295 186157637 /nfs/dbraw/zinc/15/76/37/186157637.db2.gz YATHURVPDVVYBL-LBPRGKRZSA-N 1 0 307.419 2.182 10 0 DEAERO CCc1cc2c(ncnc2N2C[C@H](C[NH3+])OC(C)(C)C2)s1 ZINC000164457442 186159241 /nfs/dbraw/zinc/15/92/41/186159241.db2.gz KDZPGYHYXMGCEC-JTQLQIEISA-N 1 0 306.435 2.196 10 0 DEAERO Cc1ccc(CNC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)cc1F ZINC000188012200 186243623 /nfs/dbraw/zinc/24/36/23/186243623.db2.gz NHHANRDWSKQPMP-UGSOOPFHSA-N 1 0 322.424 2.233 10 0 DEAERO Cc1c(Cl)cccc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000194272220 186275083 /nfs/dbraw/zinc/27/50/83/186275083.db2.gz LXNAVIBUACVGMH-UHFFFAOYSA-N 1 0 310.825 2.491 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(c3nc(-c4ccccn4)nc4c3CCC4)C[C@H]12 ZINC000333873682 282982810 /nfs/dbraw/zinc/98/28/10/282982810.db2.gz CERCUZWDDBPCPY-AEGPPILISA-N 1 0 321.428 2.201 10 0 DEAERO O=C(Nc1cc2c(cc1Cl)OCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171887830 198001957 /nfs/dbraw/zinc/00/19/57/198001957.db2.gz XGKRGFFNBUUTRB-SNVBAGLBSA-N 1 0 323.780 2.381 10 0 DEAERO O=C(Nc1ccccc1-n1cccn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171889670 198002245 /nfs/dbraw/zinc/00/22/45/198002245.db2.gz MNMFCYKRKOPPID-AWEZNQCLSA-N 1 0 311.389 2.184 10 0 DEAERO O=C(NCCc1c[nH]c2ccccc12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897335 198004421 /nfs/dbraw/zinc/00/44/21/198004421.db2.gz RANWZDHZKDSNCI-OAHLLOKOSA-N 1 0 312.417 2.200 10 0 DEAERO CC(C)(C)c1csc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000171907492 198005898 /nfs/dbraw/zinc/00/58/98/198005898.db2.gz MXOBEHGTUYHTLN-LBPRGKRZSA-N 1 0 322.478 2.430 10 0 DEAERO CC(C)c1csc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000172046662 198030855 /nfs/dbraw/zinc/03/08/55/198030855.db2.gz RBPPMAJVJJYYAW-NSHDSACASA-N 1 0 312.439 2.061 10 0 DEAERO C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC000172135271 198044877 /nfs/dbraw/zinc/04/48/77/198044877.db2.gz SXAZTGQQASHIPU-CQSZACIVSA-N 1 0 316.449 2.142 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000617345058 363101362 /nfs/dbraw/zinc/10/13/62/363101362.db2.gz WJTYKBOEMYISAF-OAHLLOKOSA-N 1 0 317.433 2.272 10 0 DEAERO COC(=O)CC1(CC(=O)N2CCC[C@H]([NH+](C)C)CC2)CCCC1 ZINC000365298061 290948953 /nfs/dbraw/zinc/94/89/53/290948953.db2.gz XUVKXFPWNFNCSX-HNNXBMFYSA-N 1 0 324.465 2.443 10 0 DEAERO COC(=O)[C@H](c1ccccc1F)N1CCC[N@@H+](C2CC2)CC1 ZINC000072635998 191205142 /nfs/dbraw/zinc/20/51/42/191205142.db2.gz OTNHRIZGGQMRTL-INIZCTEOSA-N 1 0 306.381 2.210 10 0 DEAERO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(Cl)cn2)CC[N@@H+]1C ZINC000172848015 198157800 /nfs/dbraw/zinc/15/78/00/198157800.db2.gz PUNYMNPMIBODAL-AAEUAGOBSA-N 1 0 310.829 2.088 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCO1 ZINC000332896682 539943101 /nfs/dbraw/zinc/94/31/01/539943101.db2.gz KZYPUVDDJSVGGQ-CDJLDAARSA-N 1 0 306.450 2.229 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000173270035 198205015 /nfs/dbraw/zinc/20/50/15/198205015.db2.gz GHRRJWRFTQGFOM-DOMZBBRYSA-N 1 0 309.385 2.135 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1OC ZINC000173306873 198206677 /nfs/dbraw/zinc/20/66/77/198206677.db2.gz BBRKXMJMORBHHM-KBPBESRZSA-N 1 0 308.422 2.075 10 0 DEAERO COc1ccc(Cl)c(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000333186936 539951066 /nfs/dbraw/zinc/95/10/66/539951066.db2.gz RAFGUHUWNSKZRH-QWRGUYRKSA-N 1 0 309.797 2.422 10 0 DEAERO CCCCCC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173439918 198214839 /nfs/dbraw/zinc/21/48/39/198214839.db2.gz SZDZKYFCMBLWOM-CYBMUJFWSA-N 1 0 305.426 2.184 10 0 DEAERO O=C(NCCc1ccccc1F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173441111 198215253 /nfs/dbraw/zinc/21/52/53/198215253.db2.gz URGBTOGDTIZQKH-HNNXBMFYSA-N 1 0 303.381 2.024 10 0 DEAERO C[C@H](NC(=O)N1CCC([NH2+]CC2CC2)CC1)[C@H]1CCCCO1 ZINC000333595324 539964487 /nfs/dbraw/zinc/96/44/87/539964487.db2.gz BLOKDWVKANPCQM-XJKSGUPXSA-N 1 0 309.454 2.118 10 0 DEAERO Cc1cc(N2CC[C@H]([N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)n(C)n1 ZINC000173586093 198230669 /nfs/dbraw/zinc/23/06/69/198230669.db2.gz SSBOPJJWXWLQDE-IRXDYDNUSA-N 1 0 324.428 2.323 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000333707912 539969727 /nfs/dbraw/zinc/96/97/27/539969727.db2.gz FCSQDCVSWGRXJP-DMTCVQMQSA-N 1 0 309.360 2.118 10 0 DEAERO Cc1cccc(C)c1NCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000173744446 198247389 /nfs/dbraw/zinc/24/73/89/198247389.db2.gz HFXHHJPOKKFCLX-HOTGVXAUSA-N 1 0 301.434 2.410 10 0 DEAERO COCc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000173810996 198255254 /nfs/dbraw/zinc/25/52/54/198255254.db2.gz FULLKBGBODEYDT-YOEHRIQHSA-N 1 0 319.449 2.457 10 0 DEAERO COc1ccc2c(c1)CCC[C@H]2NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333935876 282989063 /nfs/dbraw/zinc/98/90/63/282989063.db2.gz JYIYUCDWKMHHPU-XYPHTWIQSA-N 1 0 315.417 2.076 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(Br)nc1 ZINC000174228603 198308300 /nfs/dbraw/zinc/30/83/00/198308300.db2.gz GFQJSHCWZOBAHT-JTQLQIEISA-N 1 0 314.227 2.304 10 0 DEAERO CC(=O)Nc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000174244198 198310010 /nfs/dbraw/zinc/31/00/10/198310010.db2.gz GKVRAEXEENPDJJ-ALOPSCKCSA-N 1 0 315.417 2.390 10 0 DEAERO CC[C@@H]1CN(C(=O)c2cc(C)ccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000174609314 198358840 /nfs/dbraw/zinc/35/88/40/198358840.db2.gz DSMCIADZBQAAHN-ZIAGYGMSSA-N 1 0 308.397 2.051 10 0 DEAERO Cc1ccc([C@@H](O)C[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000174781219 198384368 /nfs/dbraw/zinc/38/43/68/198384368.db2.gz URIYGTNAVOOYCL-KRWDZBQOSA-N 1 0 312.417 2.395 10 0 DEAERO O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174845244 198392731 /nfs/dbraw/zinc/39/27/31/198392731.db2.gz FIRCHDVXPPSKCU-BZSNNMDCSA-N 1 0 311.429 2.446 10 0 DEAERO CCc1ncc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000333106289 282918265 /nfs/dbraw/zinc/91/82/65/282918265.db2.gz DDPKHXJFHXLSGV-UHFFFAOYSA-N 1 0 303.410 2.037 10 0 DEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CCN(c3cc(C)[nH]n3)CC2)C12CCC2 ZINC000333509573 282933457 /nfs/dbraw/zinc/93/34/57/282933457.db2.gz DXONQNFZOUPCHD-XOKHGSTOSA-N 1 0 318.465 2.480 10 0 DEAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000277064949 213271280 /nfs/dbraw/zinc/27/12/80/213271280.db2.gz JZIBUDSIZOBSPX-STQMWFEESA-N 1 0 302.418 2.348 10 0 DEAERO Cc1ccc(C)c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000176448047 198587473 /nfs/dbraw/zinc/58/74/73/198587473.db2.gz IBRONBLAZYPVBT-INIZCTEOSA-N 1 0 318.461 2.468 10 0 DEAERO COc1cccc(C[C@H](c2ccccc2)[NH+](CCO)CCO)c1 ZINC000039233825 354168787 /nfs/dbraw/zinc/16/87/87/354168787.db2.gz RNVHGLPRCVJZRG-LJQANCHMSA-N 1 0 315.413 2.266 10 0 DEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2cscn2)o1 ZINC000051751754 354388940 /nfs/dbraw/zinc/38/89/40/354388940.db2.gz BGTWFMQZSYVZHT-UHFFFAOYSA-N 1 0 322.434 2.318 10 0 DEAERO CC(C)NC(=O)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255734 354680719 /nfs/dbraw/zinc/68/07/19/354680719.db2.gz GOUIHPBFTMKCBD-KRWDZBQOSA-N 1 0 324.428 2.371 10 0 DEAERO CCOC(=O)CCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000071117790 354896952 /nfs/dbraw/zinc/89/69/52/354896952.db2.gz SOYWWBHESYCGRE-UHFFFAOYSA-N 1 0 316.405 2.252 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CSCCS1 ZINC000177009662 198649569 /nfs/dbraw/zinc/64/95/69/198649569.db2.gz RABRVZAASNOWPP-CABCVRRESA-N 1 0 324.515 2.124 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(-n2cccn2)cc1 ZINC000177029142 198652011 /nfs/dbraw/zinc/65/20/11/198652011.db2.gz ZASIQWKAIVOEGK-QGZVFWFLSA-N 1 0 312.417 2.429 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCS[C@H](C(C)C)C1 ZINC000073653727 191336248 /nfs/dbraw/zinc/33/62/48/191336248.db2.gz UKKFIGMRJJVDST-KGLIPLIRSA-N 1 0 301.500 2.500 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000380307159 540122282 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COCc1c(Br)cccc1NC(=O)CC1([NH3+])CC1 ZINC000398121255 540140304 /nfs/dbraw/zinc/14/03/04/540140304.db2.gz GRQMMKLPPSNODR-UHFFFAOYSA-N 1 0 313.195 2.415 10 0 DEAERO C[C@@]1(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC000121465735 355797240 /nfs/dbraw/zinc/79/72/40/355797240.db2.gz VRZOKDOZUYLEMP-IBGZPJMESA-N 1 0 315.461 2.252 10 0 DEAERO Cc1cccc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000123977793 355806901 /nfs/dbraw/zinc/80/69/01/355806901.db2.gz WXBNGGKUEUFGFS-ZFWWWQNUSA-N 1 0 304.438 2.310 10 0 DEAERO CC(C)C(=O)N1CCC([NH2+][C@H](c2nccn2C)C2CC2)CC1 ZINC000127565173 355822780 /nfs/dbraw/zinc/82/27/80/355822780.db2.gz VSJBOVGZODBIKO-HNNXBMFYSA-N 1 0 304.438 2.108 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Br)cc1 ZINC000078469453 191867778 /nfs/dbraw/zinc/86/77/78/191867778.db2.gz ORTZTRPHUBFWBC-RISCZKNCSA-N 1 0 313.239 2.430 10 0 DEAERO O[C@H](C[C@@H]1C[NH2+]C[C@H](OCc2cccnc2)C1)c1cccnc1 ZINC000147200304 355911129 /nfs/dbraw/zinc/91/11/29/355911129.db2.gz GZDILEJWRZUBCD-KBAYOESNSA-N 1 0 313.401 2.095 10 0 DEAERO COc1ccc2c(c1O)[C@]13CC[NH2+][C@H](C2)[C@@H]1[C@H](C)[C@@H](C)C(=O)C3 ZINC000143372678 355898019 /nfs/dbraw/zinc/89/80/19/355898019.db2.gz GVDIJJXCVSFYAA-HQPVJSAJSA-N 1 0 315.413 2.418 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCc2cccnc2OC)CC1 ZINC000157736571 355956591 /nfs/dbraw/zinc/95/65/91/355956591.db2.gz NVYXGOIYSNROTA-UHFFFAOYSA-N 1 0 320.437 2.011 10 0 DEAERO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000180825872 356061611 /nfs/dbraw/zinc/06/16/11/356061611.db2.gz MJHXKNCWJICWIX-HNNXBMFYSA-N 1 0 312.417 2.377 10 0 DEAERO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(-n2ccnn2)cc1 ZINC000182006310 356104941 /nfs/dbraw/zinc/10/49/41/356104941.db2.gz MCQJPLGNZKVMQX-NSHDSACASA-N 1 0 314.311 2.497 10 0 DEAERO CCC(C)(C)NC(=O)C[NH2+][C@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000079922023 191985359 /nfs/dbraw/zinc/98/53/59/191985359.db2.gz QDUDXNCGICNGED-BBRMVZONSA-N 1 0 320.433 2.431 10 0 DEAERO Cc1nn(CCCC[C@](C)([NH2+]C(C)C)C(N)=O)cc1Cl 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CCC[C@@H](CC)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184976517 356200521 /nfs/dbraw/zinc/20/05/21/356200521.db2.gz VSVZJLIDPOCXFW-GOEBONIOSA-N 1 0 313.486 2.299 10 0 DEAERO COc1ccccc1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080717630 192185501 /nfs/dbraw/zinc/18/55/01/192185501.db2.gz UGUPVXHJZBBVBR-MQVJKMGUSA-N 1 0 302.418 2.369 10 0 DEAERO Cc1[nH]nc2ncc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc12 ZINC000080718843 192185928 /nfs/dbraw/zinc/18/59/28/192185928.db2.gz OWZSCJDSORLTDR-AGUYFDCRSA-N 1 0 313.405 2.011 10 0 DEAERO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccnn2C)cc1 ZINC000225546120 356276615 /nfs/dbraw/zinc/27/66/15/356276615.db2.gz JXTZPCVZWCWXAV-QZTJIDSGSA-N 1 0 315.417 2.301 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226464959 356278700 /nfs/dbraw/zinc/27/87/00/356278700.db2.gz KKMXBWQSVZDZQL-ZDUSSCGKSA-N 1 0 316.854 2.411 10 0 DEAERO COc1ccc(OC)c(C(=O)Nc2nc([C@@H](C)[NH3+])cs2)c1 ZINC000080864091 192196387 /nfs/dbraw/zinc/19/63/87/192196387.db2.gz WEQDVXRPSUSCJG-MRVPVSSYSA-N 1 0 307.375 2.432 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCO[C@@H](c3cccs3)C2)C1 ZINC000246010221 356311454 /nfs/dbraw/zinc/31/14/54/356311454.db2.gz KUVZJVIOQCEEQM-UONOGXRCSA-N 1 0 323.462 2.173 10 0 DEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)cn3)C[C@@H]2C1 ZINC000398753351 283150424 /nfs/dbraw/zinc/15/04/24/283150424.db2.gz XDHJQIHGBCJYIV-COPLHBTASA-N 1 0 311.223 2.437 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000262315045 356341237 /nfs/dbraw/zinc/34/12/37/356341237.db2.gz UFWFUAVGKYEDFM-CAOSSQGBSA-N 1 0 323.481 2.047 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000262640883 356343201 /nfs/dbraw/zinc/34/32/01/356343201.db2.gz ZKOHVFJQZFRIMR-GLQYFDAESA-N 1 0 315.417 2.340 10 0 DEAERO O=C(Nc1cc2c(cc1Cl)NC(=O)C2)[C@H]1CCCCC[NH2+]1 ZINC000080994851 192209984 /nfs/dbraw/zinc/20/99/84/192209984.db2.gz RLOJTTFIXZEVBE-LLVKDONJSA-N 1 0 307.781 2.305 10 0 DEAERO COC[C@H]1CC[N@H+](CCCOc2ccc(C(N)=S)cc2)C1 ZINC000081065160 192222370 /nfs/dbraw/zinc/22/23/70/192222370.db2.gz FLMCGOYNTKSVNB-ZDUSSCGKSA-N 1 0 308.447 2.058 10 0 DEAERO CC(=O)N(C1CCC1)[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)CC1 ZINC000328622680 356461669 /nfs/dbraw/zinc/46/16/69/356461669.db2.gz BMLOFVONAPLHQJ-KGLIPLIRSA-N 1 0 322.371 2.165 10 0 DEAERO O=C(CCc1ccncc1)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328640793 356465389 /nfs/dbraw/zinc/46/53/89/356465389.db2.gz QEPRNUVRWKRZDX-GOSISDBHSA-N 1 0 324.428 2.048 10 0 DEAERO O=C(c1ccc(F)cc1)N(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328646500 356465633 /nfs/dbraw/zinc/46/56/33/356465633.db2.gz SOXWUUUZCIHYKT-HNNXBMFYSA-N 1 0 313.376 2.473 10 0 DEAERO Cc1nc(C)c(C[NH2+]C[C@@H]2CCc3c(C(N)=O)cnn3C2)s1 ZINC000328655202 356466951 /nfs/dbraw/zinc/46/69/51/356466951.db2.gz YDFBIRFMMPIGRE-NSHDSACASA-N 1 0 319.434 2.192 10 0 DEAERO CN(C)c1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000184495259 199723085 /nfs/dbraw/zinc/72/30/85/199723085.db2.gz DPIYGDYOLLKKDV-CQSZACIVSA-N 1 0 317.437 2.240 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000236897733 202059505 /nfs/dbraw/zinc/05/95/05/202059505.db2.gz FBJQOEDSDYEXTE-XHDPSFHLSA-N 1 0 305.422 2.445 10 0 DEAERO CCC[C@@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)CCC[NH2+]1 ZINC000086293061 192559625 /nfs/dbraw/zinc/55/96/25/192559625.db2.gz FAWDTLSOVPXWSD-OAHLLOKOSA-N 1 0 310.463 2.054 10 0 DEAERO CCN(CC)C(=O)C1(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000236998585 202113747 /nfs/dbraw/zinc/11/37/47/202113747.db2.gz RHVUXRPLYZBFAP-LSDHHAIUSA-N 1 0 323.481 2.191 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(F)c1 ZINC000400257483 356722490 /nfs/dbraw/zinc/72/24/90/356722490.db2.gz RAFDDJKDSVWSOA-ONGXEEELSA-N 1 0 320.817 2.164 10 0 DEAERO COc1cc(C[NH2+][C@@H]2CO[C@@H](C)C2)cc(Br)c1O ZINC000402030762 356728806 /nfs/dbraw/zinc/72/88/06/356728806.db2.gz YUWZIYSAOPZMRM-WPRPVWTQSA-N 1 0 316.195 2.430 10 0 DEAERO CCS(=O)(=O)CCC[C@H](C[NH2+]C)Cc1ccc(OC)cc1 ZINC000086980892 192605127 /nfs/dbraw/zinc/60/51/27/192605127.db2.gz HADBMNFPMVGPHK-HNNXBMFYSA-N 1 0 313.463 2.288 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2[NH3+])sc1Br ZINC000087018517 192611424 /nfs/dbraw/zinc/61/14/24/192611424.db2.gz HRYDQXXWRPMUTJ-JGVFFNPUSA-N 1 0 303.225 2.429 10 0 DEAERO c1nc(-c2ccccn2)sc1C[NH2+]CCN1CCCOCC1 ZINC000579408650 356968719 /nfs/dbraw/zinc/96/87/19/356968719.db2.gz LIBXXEKICREABC-UHFFFAOYSA-N 1 0 318.446 2.017 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1F ZINC000088907434 192653479 /nfs/dbraw/zinc/65/34/79/192653479.db2.gz GOAJHVFMTZWSRU-GFCCVEGCSA-N 1 0 314.426 2.498 10 0 DEAERO CCCCN(CCCC)S(=O)(=O)N(C)CCC[NH2+]C1CC1 ZINC000088938065 192661516 /nfs/dbraw/zinc/66/15/16/192661516.db2.gz LOAFGIUOCAQXJP-UHFFFAOYSA-N 1 0 319.515 2.207 10 0 DEAERO CC(C)[NH2+]Cc1ccc(F)c(S(=O)(=O)N(C)C2CC2)c1 ZINC000088941332 192663149 /nfs/dbraw/zinc/66/31/49/192663149.db2.gz RCHPPOGVYNHCRK-UHFFFAOYSA-N 1 0 300.399 2.107 10 0 DEAERO Cn1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000590717760 357591083 /nfs/dbraw/zinc/59/10/83/357591083.db2.gz XBPVERPJNLOSSL-HNNXBMFYSA-N 1 0 304.438 2.148 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)CCCn2ccnc2)CC1 ZINC000591166232 357684057 /nfs/dbraw/zinc/68/40/57/357684057.db2.gz RZCQYFIGFQVEKG-UHFFFAOYSA-N 1 0 306.454 2.244 10 0 DEAERO CCOc1c(OC)cc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000179550006 199053403 /nfs/dbraw/zinc/05/34/03/199053403.db2.gz CXZSRCDXIOENAT-OAHLLOKOSA-N 1 0 320.433 2.383 10 0 DEAERO COc1ccc(C[C@H](C)C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1 ZINC000179571269 199056475 /nfs/dbraw/zinc/05/64/75/199056475.db2.gz KQZCSJQSVGWGFO-SOUVJXGZSA-N 1 0 304.434 2.425 10 0 DEAERO COCCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000180198433 199129280 /nfs/dbraw/zinc/12/92/80/199129280.db2.gz ZKYSDXMRLJYCGK-HOTGVXAUSA-N 1 0 302.418 2.365 10 0 DEAERO CC(C)Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc(=O)[nH]1 ZINC000180182696 199127322 /nfs/dbraw/zinc/12/73/22/199127322.db2.gz POKFDBKKZDNGDB-INIZCTEOSA-N 1 0 317.433 2.296 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)N(C)[C@H](C)c2cnn(C)c2)CC1 ZINC000180330053 199146702 /nfs/dbraw/zinc/14/67/02/199146702.db2.gz CKNRJJSXHRHRLS-CQSZACIVSA-N 1 0 321.469 2.387 10 0 DEAERO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000593910142 358169104 /nfs/dbraw/zinc/16/91/04/358169104.db2.gz RPPUFHNUSMEEGA-CHWFTXMASA-N 1 0 310.385 2.175 10 0 DEAERO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(C)[nH]c2C)CC1 ZINC000593919722 358172666 /nfs/dbraw/zinc/17/26/66/358172666.db2.gz AFHWYDNRRZRVIH-UHFFFAOYSA-N 1 0 307.438 2.251 10 0 DEAERO OCC1CC([NH2+]Cc2cccc(I)c2)C1 ZINC000595000614 358376010 /nfs/dbraw/zinc/37/60/10/358376010.db2.gz IHLJMBXWXGAQGX-UHFFFAOYSA-N 1 0 317.170 2.152 10 0 DEAERO c1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)CC2 ZINC000180852316 199218454 /nfs/dbraw/zinc/21/84/54/199218454.db2.gz CKYNWWQUQDPINK-YJBOKZPZSA-N 1 0 305.385 2.367 10 0 DEAERO C[NH2+]Cc1ccccc1S(=O)(=O)NCc1ccc(C)s1 ZINC000089021444 192700276 /nfs/dbraw/zinc/70/02/76/192700276.db2.gz RFEFLZNARDKKQL-UHFFFAOYSA-N 1 0 310.444 2.254 10 0 DEAERO CCCC[C@H](C)NS(=O)(=O)N1CCC(C[NH2+]CCC)CC1 ZINC000089022601 192703445 /nfs/dbraw/zinc/70/34/45/192703445.db2.gz BGIJLYNNSBRMSZ-AWEZNQCLSA-N 1 0 319.515 2.111 10 0 DEAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)NC(CC)(CC)CC ZINC000089049293 192720263 /nfs/dbraw/zinc/72/02/63/192720263.db2.gz MXWDZUIARSUABP-CQSZACIVSA-N 1 0 319.515 2.254 10 0 DEAERO Cc1nn(C)c(COC[C@H]2CCC[NH2+]C2)c1Br ZINC000089234900 192748775 /nfs/dbraw/zinc/74/87/75/192748775.db2.gz SKHDJMRHVVEBPM-JTQLQIEISA-N 1 0 302.216 2.007 10 0 DEAERO CC[NH2+]CCN(CC)Cc1c(Br)c(CC)nn1C ZINC000089320515 192767471 /nfs/dbraw/zinc/76/74/71/192767471.db2.gz XYGGSJJJCCYNCN-UHFFFAOYSA-N 1 0 317.275 2.176 10 0 DEAERO Cc1nn(C)c(CN2CCC[NH2+]C(C)(C)C2)c1Br ZINC000089271306 192754905 /nfs/dbraw/zinc/75/49/05/192754905.db2.gz NCSMUOOFONLFSH-UHFFFAOYSA-N 1 0 315.259 2.065 10 0 DEAERO CCn1nc(C)c(Br)c1CN1CCC[C@@H]1C[NH2+]C ZINC000089279382 192758121 /nfs/dbraw/zinc/75/81/21/192758121.db2.gz XTKNLMGSDWYUIQ-LLVKDONJSA-N 1 0 315.259 2.158 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1Br ZINC000089460352 192794116 /nfs/dbraw/zinc/79/41/16/192794116.db2.gz RRMMFBKUOQJGEZ-JQWIXIFHSA-N 1 0 311.223 2.440 10 0 DEAERO CCCc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089500880 192804010 /nfs/dbraw/zinc/80/40/10/192804010.db2.gz ARHPJHXXUNULDO-CABCVRRESA-N 1 0 310.463 2.292 10 0 DEAERO CC(C)[NH2+]C[C@@]1(CN2CCS(=O)CC2)CCC[C@H](C)C1 ZINC000089618859 192827115 /nfs/dbraw/zinc/82/71/15/192827115.db2.gz BMHJBGFIIUTEDA-JKSUJKDBSA-N 1 0 300.512 2.245 10 0 DEAERO C[N@H+](C[C@H](O)COc1cccc2ccccc21)CC1(CO)CC1 ZINC000186793156 200012135 /nfs/dbraw/zinc/01/21/35/200012135.db2.gz LSUOPSUTROLUKW-INIZCTEOSA-N 1 0 315.413 2.284 10 0 DEAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000186836005 200018918 /nfs/dbraw/zinc/01/89/18/200018918.db2.gz MSFVQZOMPBUFNE-GUYCJALGSA-N 1 0 314.429 2.252 10 0 DEAERO [NH3+]CCc1cc(C(F)(F)F)cc(I)n1 ZINC000095767630 283447194 /nfs/dbraw/zinc/44/71/94/283447194.db2.gz PHXQVXHZJFCRAO-UHFFFAOYSA-N 1 0 316.064 2.206 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cccnc3SC(F)F)C[C@@H]12 ZINC000186912224 200030914 /nfs/dbraw/zinc/03/09/14/200030914.db2.gz RKAAINZQUIXLOL-FBIMIBRVSA-N 1 0 313.373 2.206 10 0 DEAERO COc1ccc(CN(C)C(=O)c2coc(C[NH3+])c2)c(OC)c1 ZINC000187233112 200080565 /nfs/dbraw/zinc/08/05/65/200080565.db2.gz YOYXQXBYXVEPLB-UHFFFAOYSA-N 1 0 304.346 2.028 10 0 DEAERO CCC[C@@H](C(=O)N(C)Cc1ccc([S@](C)=O)cc1)[NH+](C)C ZINC000132843649 283460839 /nfs/dbraw/zinc/46/08/39/283460839.db2.gz JQAKMQPPBYTLMO-YCRPNKLZSA-N 1 0 310.463 2.113 10 0 DEAERO CN(CC1([NH+](C)C)CCC1)C(=O)NCCCc1ccccn1 ZINC000187319720 200094907 /nfs/dbraw/zinc/09/49/07/200094907.db2.gz CUITUIVZZOOGQB-UHFFFAOYSA-N 1 0 304.438 2.140 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)c2c[nH]nc2C2CC2)ccc1F ZINC000187355415 200100368 /nfs/dbraw/zinc/10/03/68/200100368.db2.gz DPNLFNFEAHBXSC-UHFFFAOYSA-N 1 0 316.380 2.418 10 0 DEAERO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC[C@@H](C)O ZINC000187480177 200117461 /nfs/dbraw/zinc/11/74/61/200117461.db2.gz FJFLDPXGYITATH-WBVHZDCISA-N 1 0 321.465 2.213 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000187513108 200122517 /nfs/dbraw/zinc/12/25/17/200122517.db2.gz MDHUPPJBRKUROR-AWEZNQCLSA-N 1 0 320.437 2.134 10 0 DEAERO Cc1nccnc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000187829765 200162881 /nfs/dbraw/zinc/16/28/81/200162881.db2.gz XQHOZHPIUPLWDU-OCCSQVGLSA-N 1 0 305.353 2.015 10 0 DEAERO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2nccnc2C)c1 ZINC000187832095 200163313 /nfs/dbraw/zinc/16/33/13/200163313.db2.gz ALHTWARONYBQAR-HUUCEWRRSA-N 1 0 301.390 2.184 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000187896911 200173583 /nfs/dbraw/zinc/17/35/83/200173583.db2.gz AQNCPPLGKJQLGC-ZBEGNZNMSA-N 1 0 312.360 2.386 10 0 DEAERO c1ccn2c(c1)nnc2C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000437588564 237819815 /nfs/dbraw/zinc/81/98/15/237819815.db2.gz JFWPXTSQLQDHPR-CQSZACIVSA-N 1 0 300.406 2.335 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)Cc1ccccc1F ZINC000189136769 200354438 /nfs/dbraw/zinc/35/44/38/200354438.db2.gz PVOAKYDVIMMRCP-AWEZNQCLSA-N 1 0 316.442 2.221 10 0 DEAERO COc1ccc2[nH]c(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2c1 ZINC000189283490 200376050 /nfs/dbraw/zinc/37/60/50/200376050.db2.gz HNILIFXRPGFWDQ-LBPRGKRZSA-N 1 0 301.390 2.200 10 0 DEAERO CCOC[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000189363921 200387912 /nfs/dbraw/zinc/38/79/12/200387912.db2.gz AFNRKVSPOYBUBP-WFASDCNBSA-N 1 0 314.451 2.046 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@@H](C)CCc2cccc(F)c2)C[C@H]1c1c[nH]nn1 ZINC000668577130 540691929 /nfs/dbraw/zinc/69/19/29/540691929.db2.gz VJHZBGYHFAVREX-YLQAJVPDSA-N 1 0 318.396 2.379 10 0 DEAERO C[NH2+]C[C@@H]1CCCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000040601786 283548766 /nfs/dbraw/zinc/54/87/66/283548766.db2.gz QQBOCXISQQHFGV-NSHDSACASA-N 1 0 318.389 2.119 10 0 DEAERO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+](C)CCCO ZINC000440957374 238000419 /nfs/dbraw/zinc/00/04/19/238000419.db2.gz LRWMOSVOZKZBHR-MRXNPFEDSA-N 1 0 309.450 2.346 10 0 DEAERO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443868120 238125431 /nfs/dbraw/zinc/12/54/31/238125431.db2.gz LKFRSTUIFDTBSN-NCOADZHNSA-N 1 0 306.450 2.136 10 0 DEAERO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCCSC2)n1 ZINC000191554272 200721734 /nfs/dbraw/zinc/72/17/34/200721734.db2.gz ZWIHXYZSDFZFTO-SNVBAGLBSA-N 1 0 300.449 2.348 10 0 DEAERO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCO2 ZINC000604165061 360888046 /nfs/dbraw/zinc/88/80/46/360888046.db2.gz YPKJDZTTZDNROZ-YPMHNXCESA-N 1 0 317.389 2.012 10 0 DEAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1Cc1cc(-c2ccccc2)on1 ZINC000292556199 223146380 /nfs/dbraw/zinc/14/63/80/223146380.db2.gz YZQMBRQHBAQWHZ-RHSMWYFYSA-N 1 0 315.417 2.229 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)NCCc1cc(Br)ccc1F ZINC000193213706 201006862 /nfs/dbraw/zinc/00/68/62/201006862.db2.gz YKCFWPFESWRXKF-SECBINFHSA-N 1 0 317.202 2.374 10 0 DEAERO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](O)COC(C)(C)C)c1 ZINC000193430513 201049513 /nfs/dbraw/zinc/04/95/13/201049513.db2.gz SSBIEJXKKANGKA-LRDDRELGSA-N 1 0 308.422 2.472 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccnn1C ZINC000193353611 201038171 /nfs/dbraw/zinc/03/81/71/201038171.db2.gz FYCDSCPDHXDMNV-SWLSCSKDSA-N 1 0 316.380 2.011 10 0 DEAERO Cc1nc(C(F)(F)F)c(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)s1 ZINC000193600027 201083266 /nfs/dbraw/zinc/08/32/66/201083266.db2.gz MAOAXOPLDKHKMD-IMTBSYHQSA-N 1 0 307.341 2.085 10 0 DEAERO COC(=O)[C@H](C1CC1)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000611668765 361654720 /nfs/dbraw/zinc/65/47/20/361654720.db2.gz QQOQFPALOBGAGW-SJORKVTESA-N 1 0 302.418 2.144 10 0 DEAERO COCC[NH2+]Cc1cccc(SCC(=O)NCC(C)C)c1 ZINC000090873282 192940575 /nfs/dbraw/zinc/94/05/75/192940575.db2.gz NBJYKTBYOJRRFN-UHFFFAOYSA-N 1 0 310.463 2.287 10 0 DEAERO Cc1oc(Br)cc1C(=O)NC1CC([NH+](C)C)C1 ZINC000622006757 364631946 /nfs/dbraw/zinc/63/19/46/364631946.db2.gz HRWIGYOQLFGQBI-UHFFFAOYSA-N 1 0 301.184 2.173 10 0 DEAERO Cn1cc(C[NH2+]C[C@H]2CCc3nccn3C2)c(C(C)(C)C)n1 ZINC000275470569 212353212 /nfs/dbraw/zinc/35/32/12/212353212.db2.gz HRIIZCBWQIEDIX-CYBMUJFWSA-N 1 0 301.438 2.266 10 0 DEAERO CCCC(=O)Nc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000623210184 364921138 /nfs/dbraw/zinc/92/11/38/364921138.db2.gz JLUWXLUKYOOMFO-OAHLLOKOSA-N 1 0 303.406 2.136 10 0 DEAERO COc1ccc(-n2cc(C[N@@H+]3CC[C@H](CO)[C@H]3C)cn2)cc1 ZINC000449290822 240318957 /nfs/dbraw/zinc/31/89/57/240318957.db2.gz YYGOMCILQWNXEO-UKRRQHHQSA-N 1 0 301.390 2.084 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(F)cc2C)CC12COC2 ZINC000449359115 240392160 /nfs/dbraw/zinc/39/21/60/240392160.db2.gz GHZFAXOBDMLUHP-OAHLLOKOSA-N 1 0 307.365 2.146 10 0 DEAERO CCOc1ccc([C@H](C)NC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000091135311 193001219 /nfs/dbraw/zinc/00/12/19/193001219.db2.gz BMTXKTMHANMIGM-GXTWGEPZSA-N 1 0 308.447 2.358 10 0 DEAERO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000091135898 193001434 /nfs/dbraw/zinc/00/14/34/193001434.db2.gz TYSOLLSDLVNOCH-KOLCDFICSA-N 1 0 310.385 2.271 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000091135271 193001985 /nfs/dbraw/zinc/00/19/85/193001985.db2.gz WCDISYWZMPAVQG-OUAUKWLOSA-N 1 0 310.385 2.319 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Br)s1 ZINC000623713383 365141333 /nfs/dbraw/zinc/14/13/33/365141333.db2.gz ZNTYHROHAZZTRH-ZJUUUORDSA-N 1 0 319.268 2.492 10 0 DEAERO CN(CC1CC(O)C1)[C@H](C[NH3+])c1ccccc1Br ZINC000091451469 193058467 /nfs/dbraw/zinc/05/84/67/193058467.db2.gz OXLKWBQNFFBWIB-QIMFLAQGSA-N 1 0 313.239 2.152 10 0 DEAERO CN(CC1CC(O)C1)c1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000091451162 193058668 /nfs/dbraw/zinc/05/86/68/193058668.db2.gz JIZXSDUQLFTAJZ-UHFFFAOYSA-N 1 0 301.312 2.197 10 0 DEAERO CCCc1c(C[NH2+]C(C)(C)C)cnn1[C@H]1CCS(=O)(=O)C1 ZINC000091336109 193042468 /nfs/dbraw/zinc/04/24/68/193042468.db2.gz ARVNSFAFRQRTOI-ZDUSSCGKSA-N 1 0 313.467 2.083 10 0 DEAERO CSCC[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091343712 193043284 /nfs/dbraw/zinc/04/32/84/193043284.db2.gz RQTXZOKBSBRYDG-QWRGUYRKSA-N 1 0 302.465 2.126 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)[C@@](C)(CC)N1CCCCC1 ZINC000091610302 193079862 /nfs/dbraw/zinc/07/98/62/193079862.db2.gz RGJKIMGTOPDSPL-HZPDHXFCSA-N 1 0 318.527 2.444 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)C(C)(C)N1CCCCC1 ZINC000091565227 193073216 /nfs/dbraw/zinc/07/32/16/193073216.db2.gz BJGDIYOITVGNCV-CQSZACIVSA-N 1 0 304.500 2.054 10 0 DEAERO CN(CC1CC([NH3+])C1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000091470891 193060317 /nfs/dbraw/zinc/06/03/17/193060317.db2.gz VZFVUYUINSRCFH-UHFFFAOYSA-N 1 0 322.352 2.154 10 0 DEAERO CCc1nn(C)c(COC2CC(C[NH2+]C)C2)c1Br ZINC000091475858 193061312 /nfs/dbraw/zinc/06/13/12/193061312.db2.gz DDZSNGDLSRKXRT-UHFFFAOYSA-N 1 0 316.243 2.260 10 0 DEAERO C[NH2+]CC1CC(Oc2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000091475323 193061638 /nfs/dbraw/zinc/06/16/38/193061638.db2.gz BZJJCOCHPFWDKO-UHFFFAOYSA-N 1 0 323.336 2.357 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)C1(N(C)C)CCCCC1 ZINC000091647379 193084628 /nfs/dbraw/zinc/08/46/28/193084628.db2.gz FIMJIDQJLJBTOJ-CQSZACIVSA-N 1 0 304.500 2.054 10 0 DEAERO Cc1cc(C[NH2+]C[C@@H]2CN(C)CCO2)ccc1Br ZINC000091667586 193088314 /nfs/dbraw/zinc/08/83/14/193088314.db2.gz HXKXGMPLFAJNAS-CYBMUJFWSA-N 1 0 313.239 2.178 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000091717758 193096592 /nfs/dbraw/zinc/09/65/92/193096592.db2.gz NIZGCCCSJYSPOF-KBPBESRZSA-N 1 0 303.233 2.455 10 0 DEAERO CC[NH+](CC)CC[C@H](O)Cc1c(Br)c(C)nn1C ZINC000091714288 193097182 /nfs/dbraw/zinc/09/71/82/193097182.db2.gz NHFPNMWMBQPSPT-NSHDSACASA-N 1 0 318.259 2.126 10 0 DEAERO C[NH2+][C@H](c1ccccc1OC(F)(F)F)[C@@H]1CN(C)CCO1 ZINC000091717987 193097293 /nfs/dbraw/zinc/09/72/93/193097293.db2.gz RSNWCVQPQSJPLX-QWHCGFSZSA-N 1 0 304.312 2.176 10 0 DEAERO CC[NH+](CC)C1([C@H](O)CCCS(=O)(=O)CC)CCCC1 ZINC000091638990 193083067 /nfs/dbraw/zinc/08/30/67/193083067.db2.gz NOGWDCCBRUFZAY-CQSZACIVSA-N 1 0 305.484 2.217 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)N(C)C1CCCCC1 ZINC000091850521 193117985 /nfs/dbraw/zinc/11/79/85/193117985.db2.gz VYUUCEHSLWMYLE-UHFFFAOYSA-N 1 0 317.499 2.088 10 0 DEAERO C[NH2+]C1CCC(NS(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000091872472 193121330 /nfs/dbraw/zinc/12/13/30/193121330.db2.gz HDWSBTZGOMNUEG-UHFFFAOYSA-N 1 0 320.817 2.288 10 0 DEAERO CCc1ccc(S(=O)(=O)N(C)C2CCC([NH2+]C)CC2)cc1 ZINC000091872689 193121523 /nfs/dbraw/zinc/12/15/23/193121523.db2.gz DRVHAOPJVFVFEX-UHFFFAOYSA-N 1 0 310.463 2.400 10 0 DEAERO COc1cc(Br)c([C@H](O)[C@H](C)C[NH3+])cc1OC ZINC000091908908 193124662 /nfs/dbraw/zinc/12/46/62/193124662.db2.gz QVJQRLQJRWSCKP-JMCQJSRRSA-N 1 0 304.184 2.095 10 0 DEAERO COc1cc(F)cc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000091927972 193128251 /nfs/dbraw/zinc/12/82/51/193128251.db2.gz CYSVPRBYQUHEKU-OAHLLOKOSA-N 1 0 321.396 2.214 10 0 DEAERO CCS(=O)(=O)CCCOc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995557 193138347 /nfs/dbraw/zinc/13/83/47/193138347.db2.gz OBCQHQHCAPYADX-UHFFFAOYSA-N 1 0 314.451 2.092 10 0 DEAERO O=C([C@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449729825 241001184 /nfs/dbraw/zinc/00/11/84/241001184.db2.gz BROBKHWZBGPSRC-NYDIPFLSSA-N 1 0 306.356 2.279 10 0 DEAERO CC(C)O[C@H](C(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000449813707 241115149 /nfs/dbraw/zinc/11/51/49/241115149.db2.gz INUDMTLGZCHASZ-KRWDZBQOSA-N 1 0 313.401 2.198 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000629587062 367264906 /nfs/dbraw/zinc/26/49/06/367264906.db2.gz XITNOEGUMKAJLY-DOTOQJQBSA-N 1 0 321.417 2.035 10 0 DEAERO c1c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605020 242006372 /nfs/dbraw/zinc/00/63/72/242006372.db2.gz YDAHVZBHLBPXMF-QAPCUYQASA-N 1 0 315.465 2.137 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000271763849 209193345 /nfs/dbraw/zinc/19/33/45/209193345.db2.gz FGJGHWBLMOZILA-KBPBESRZSA-N 1 0 308.813 2.161 10 0 DEAERO Brc1ccc(-c2cn(CC[NH+]3CCCC3)nn2)nc1 ZINC000630618573 367761320 /nfs/dbraw/zinc/76/13/20/367761320.db2.gz YXLFJYGEJPZBDZ-UHFFFAOYSA-N 1 0 322.210 2.198 10 0 DEAERO CCCc1nsc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000630527996 367708440 /nfs/dbraw/zinc/70/84/40/367708440.db2.gz WOBFBXVVPXQEAF-RKDXNWHRSA-N 1 0 308.373 2.454 10 0 DEAERO CC[NH2+]Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092113569 193161070 /nfs/dbraw/zinc/16/10/70/193161070.db2.gz ZJUKSJXEJSDAHX-OKILXGFUSA-N 1 0 310.463 2.381 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2(C)C)c(F)c1 ZINC000092116149 193164393 /nfs/dbraw/zinc/16/43/93/193164393.db2.gz BXRVMEDSAZTWAK-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO c1c(C[NH2+]C[C@H]2CCc3ccccc32)nnn1C[C@H]1CCOC1 ZINC000631069102 368000219 /nfs/dbraw/zinc/00/02/19/368000219.db2.gz MGIWYHWHOPHMJM-GDBMZVCRSA-N 1 0 312.417 2.134 10 0 DEAERO c1csc(CCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c1 ZINC000631105961 368020022 /nfs/dbraw/zinc/02/00/22/368020022.db2.gz PQPHDACKVWITEH-ZDUSSCGKSA-N 1 0 306.435 2.099 10 0 DEAERO c1c(C[NH2+]C2(Cc3ccccc3)CC2)nnn1C[C@@H]1CCOC1 ZINC000631112858 368023150 /nfs/dbraw/zinc/02/31/50/368023150.db2.gz BUJHVRTVPAEVJM-INIZCTEOSA-N 1 0 312.417 2.180 10 0 DEAERO Cn1cc(CN[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000631205173 368076542 /nfs/dbraw/zinc/07/65/42/368076542.db2.gz LCEBIELQSCHXTP-QGZVFWFLSA-N 1 0 313.449 2.350 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)NCc2cc(Br)ccc2F)C1 ZINC000092206850 193173976 /nfs/dbraw/zinc/17/39/76/193173976.db2.gz YYBRAWOEGXPDHZ-LDYMZIIASA-N 1 0 313.170 2.108 10 0 DEAERO c1cnc2c(c1)[C@H]([NH2+]Cc1ccc(-c3nncnn3)cc1)CCC2 ZINC000631644556 368324788 /nfs/dbraw/zinc/32/47/88/368324788.db2.gz UVMHTXFQZPHGGT-QGZVFWFLSA-N 1 0 318.384 2.496 10 0 DEAERO O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631995994 368484974 /nfs/dbraw/zinc/48/49/74/368484974.db2.gz SSDJUAZBXMIRIY-DGCLKSJQSA-N 1 0 314.838 2.103 10 0 DEAERO C[NH2+]C[C@@H](CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000092270505 193183512 /nfs/dbraw/zinc/18/35/12/193183512.db2.gz HWIYPVFEDQMMRA-KGLIPLIRSA-N 1 0 313.488 2.439 10 0 DEAERO C[N@H+](CCCC(=O)Nc1ccc(Cl)cc1N)CC(C)(C)O ZINC000092958470 193188726 /nfs/dbraw/zinc/18/87/26/193188726.db2.gz CEAMQLGUOHEIDO-UHFFFAOYSA-N 1 0 313.829 2.344 10 0 DEAERO CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1ccc(N)cc1Cl ZINC000092964691 193189895 /nfs/dbraw/zinc/18/98/95/193189895.db2.gz HCGLFQROUPEXDG-JTQLQIEISA-N 1 0 313.829 2.342 10 0 DEAERO O=C(CCC[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1)NC1CC1 ZINC000092996373 193191311 /nfs/dbraw/zinc/19/13/11/193191311.db2.gz XJJVQRWIYGWWLH-AWEZNQCLSA-N 1 0 308.809 2.292 10 0 DEAERO COc1ccccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000093012093 193193180 /nfs/dbraw/zinc/19/31/80/193193180.db2.gz UIMJPAIWFBKJKR-KRWDZBQOSA-N 1 0 304.434 2.382 10 0 DEAERO CC(C)n1ncc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc21 ZINC000261604597 203079617 /nfs/dbraw/zinc/07/96/17/203079617.db2.gz AJIIETFWJBUOBX-HIFRSBDPSA-N 1 0 302.378 2.062 10 0 DEAERO COCC[NH2+]C[C@H](Cc1ncnn1C)c1ccc(Cl)cc1 ZINC000093148339 193208882 /nfs/dbraw/zinc/20/88/82/193208882.db2.gz AENUZHZZLDZUFS-ZDUSSCGKSA-N 1 0 308.813 2.031 10 0 DEAERO [NH3+]C[C@H](c1cccc(F)c1)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000093164850 193209642 /nfs/dbraw/zinc/20/96/42/193209642.db2.gz JMNWZDBNDWIQPF-CABCVRRESA-N 1 0 305.374 2.439 10 0 DEAERO C[C@H]1C[C@@H](C(=O)Nc2nc(Cc3ccccc3)ns2)CC[NH2+]1 ZINC000262355285 203272391 /nfs/dbraw/zinc/27/23/91/203272391.db2.gz JHNYBXXVRNRYDT-AAEUAGOBSA-N 1 0 316.430 2.456 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC000262390386 203281516 /nfs/dbraw/zinc/28/15/16/203281516.db2.gz PIPYERMMBCCFNH-KCQAQPDRSA-N 1 0 321.852 2.423 10 0 DEAERO O=S1(=O)CC[C@@H](C2(C[C@H]3CSc4ccccc43)C[NH2+]C2)C1 ZINC000093195483 193214842 /nfs/dbraw/zinc/21/48/42/193214842.db2.gz HYVKHJVLYVQOKY-QWHCGFSZSA-N 1 0 323.483 2.290 10 0 DEAERO Cc1c(C[S@](C)=O)cccc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262615966 203351963 /nfs/dbraw/zinc/35/19/63/203351963.db2.gz DAHGIUDVEGSUHD-UPBLURMWSA-N 1 0 308.447 2.330 10 0 DEAERO Cn1cc([C@@H]2CNC(=[NH2+])N2c2ccccc2Br)cn1 ZINC000093386373 193241711 /nfs/dbraw/zinc/24/17/11/193241711.db2.gz SVLMCPXUCCIQMX-LBPRGKRZSA-N 1 0 320.194 2.059 10 0 DEAERO COCC[C@]1(C)C[NH+]=C(N)N1c1ccc(Br)cc1 ZINC000093386593 193241826 /nfs/dbraw/zinc/24/18/26/193241826.db2.gz XIHFPUMFHLLWCE-CYBMUJFWSA-N 1 0 312.211 2.379 10 0 DEAERO COCCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC000093479887 193257692 /nfs/dbraw/zinc/25/76/92/193257692.db2.gz ZNJBCKUIUGJLSD-BYICEURKSA-N 1 0 305.418 2.305 10 0 DEAERO CN[C@@]1(C(=O)OC)CCC[C@@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596099 193270989 /nfs/dbraw/zinc/27/09/89/193270989.db2.gz AXJVCBISPJOTNW-YPMHNXCESA-N 1 0 310.360 2.192 10 0 DEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSC1CCOCC1 ZINC000093630622 193277418 /nfs/dbraw/zinc/27/74/18/193277418.db2.gz SGNJANFGPXKOME-XJKSGUPXSA-N 1 0 314.495 2.311 10 0 DEAERO CCc1nn(CC)c(C[C@@H]([NH3+])[C@@H](C)OC)c1Br ZINC000093689989 193289825 /nfs/dbraw/zinc/28/98/25/193289825.db2.gz UYFUOPDUXNLHDJ-RKDXNWHRSA-N 1 0 304.232 2.133 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH2+]C)[C@H](C)OC ZINC000093690237 193289863 /nfs/dbraw/zinc/28/98/63/193289863.db2.gz JJCUBOOLMLQFKE-UWVGGRQHSA-N 1 0 304.232 2.139 10 0 DEAERO C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697121 193292850 /nfs/dbraw/zinc/29/28/50/193292850.db2.gz WKSPKWJSEFJJRD-QLFBSQMISA-N 1 0 302.484 2.216 10 0 DEAERO C[C@@]([NH3+])(C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000093699164 193293650 /nfs/dbraw/zinc/29/36/50/193293650.db2.gz NNMUUDOOAFFYJH-IUODEOHRSA-N 1 0 314.426 2.061 10 0 DEAERO CC[C@@]([NH3+])(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093699190 193293710 /nfs/dbraw/zinc/29/37/10/193293710.db2.gz NQEMPNKWPYHCRQ-GDBMZVCRSA-N 1 0 310.463 2.312 10 0 DEAERO CC(C)C[NH2+]C[C@@H](C)CC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702325 193296022 /nfs/dbraw/zinc/29/60/22/193296022.db2.gz YUBKYCYRDRDVFC-LSDHHAIUSA-N 1 0 304.500 2.320 10 0 DEAERO COC(=O)[C@@]1([NH3+])CCC[C@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093780501 193307086 /nfs/dbraw/zinc/30/70/86/193307086.db2.gz BWFYNGUNEOOCBU-SWLSCSKDSA-N 1 0 309.435 2.307 10 0 DEAERO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc2c1OCCO2 ZINC000093644090 193282243 /nfs/dbraw/zinc/28/22/43/193282243.db2.gz YEAFUPZMNRWXJN-ZFWWWQNUSA-N 1 0 320.433 2.381 10 0 DEAERO OC[C@@]1(Cc2cc(F)cc(Br)c2)CCC[NH2+]C1 ZINC000094004702 193337760 /nfs/dbraw/zinc/33/77/60/193337760.db2.gz HPRBQCGXRGBDEB-CYBMUJFWSA-N 1 0 302.187 2.493 10 0 DEAERO CCCN[C@@]1(C(=O)OC)CC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093831865 193314464 /nfs/dbraw/zinc/31/44/64/193314464.db2.gz GOLDLXKAIDQKKJ-YPMHNXCESA-N 1 0 310.360 2.335 10 0 DEAERO CCN[C@@]1(C(=O)OCC)CC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093831815 193314914 /nfs/dbraw/zinc/31/49/14/193314914.db2.gz XTDLLINJQPRBBA-YPMHNXCESA-N 1 0 310.360 2.335 10 0 DEAERO CC[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2ccc(F)cc2F)C1 ZINC000093848922 193317458 /nfs/dbraw/zinc/31/74/58/193317458.db2.gz BNHWNQSWYKCZRH-HZMBPMFUSA-N 1 0 300.374 2.443 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000093878258 193322639 /nfs/dbraw/zinc/32/26/39/193322639.db2.gz QZTNFCNNLQWQMH-UHFFFAOYSA-N 1 0 302.415 2.211 10 0 DEAERO CCCN(CC(=O)Nc1cccnc1Cl)CC(C)(C)C[NH3+] ZINC000093891961 193323579 /nfs/dbraw/zinc/32/35/79/193323579.db2.gz QHMLGOOJCDJFOS-UHFFFAOYSA-N 1 0 312.845 2.370 10 0 DEAERO CCCN(CCC)S(=O)(=O)N(CCC)CC(C)(C)C[NH3+] ZINC000093891022 193323585 /nfs/dbraw/zinc/32/35/85/193323585.db2.gz KYFGJVNSAJZFJT-UHFFFAOYSA-N 1 0 307.504 2.050 10 0 DEAERO CN1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CCC1=O ZINC000093982453 193333570 /nfs/dbraw/zinc/33/35/70/193333570.db2.gz WXZRHQCFUBMVBI-GFCCVEGCSA-N 1 0 315.186 2.299 10 0 DEAERO C[NH2+][C@H](CN(C)CCS(C)(=O)=O)c1ccc(C(C)C)cc1 ZINC000094298277 193357963 /nfs/dbraw/zinc/35/79/63/193357963.db2.gz BRTRGOQREVSPLF-MRXNPFEDSA-N 1 0 312.479 2.047 10 0 DEAERO CCC[NH2+][C@@H]1CCCCCC[C@H]1N(C)CCS(C)(=O)=O ZINC000094298407 193358086 /nfs/dbraw/zinc/35/80/86/193358086.db2.gz YGHFGHCQKWEZCK-HUUCEWRRSA-N 1 0 304.500 2.054 10 0 DEAERO CC1(C)CCCC[C@H]1NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000094326192 193359260 /nfs/dbraw/zinc/35/92/60/193359260.db2.gz PRISJXHFWGZAPY-OAHLLOKOSA-N 1 0 310.463 2.435 10 0 DEAERO [NH3+]Cc1ccc(C(F)(F)F)nc1N1CCCC[C@@H]1CCO ZINC000094334055 193360204 /nfs/dbraw/zinc/36/02/04/193360204.db2.gz ZZRDCMCUEDPSRI-LLVKDONJSA-N 1 0 303.328 2.300 10 0 DEAERO C[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000094342603 193362339 /nfs/dbraw/zinc/36/23/39/193362339.db2.gz RLODIZMFMLROSP-CABZTGNLSA-N 1 0 322.352 2.154 10 0 DEAERO C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000094342602 193362511 /nfs/dbraw/zinc/36/25/11/193362511.db2.gz RLODIZMFMLROSP-SKDRFNHKSA-N 1 0 322.352 2.154 10 0 DEAERO CC[C@@H](C)NC(=O)[C@H](C)Oc1c(F)cc(C[NH2+]C)cc1F ZINC000094346450 193363299 /nfs/dbraw/zinc/36/32/99/193363299.db2.gz WLGKNTHAISUGCG-ZJUUUORDSA-N 1 0 300.349 2.366 10 0 DEAERO COC[C@@H](O)COc1c(F)cc(C[NH2+]C(C)(C)C)cc1F ZINC000094347901 193363721 /nfs/dbraw/zinc/36/37/21/193363721.db2.gz AIRJSRVYYYWDJR-LLVKDONJSA-N 1 0 303.349 2.239 10 0 DEAERO Nc1cc(Br)ccc1C(=O)NC1CCC([NH3+])CC1 ZINC000094045839 193340689 /nfs/dbraw/zinc/34/06/89/193340689.db2.gz YNVJYYNTDUUSGO-UHFFFAOYSA-N 1 0 312.211 2.031 10 0 DEAERO CCN(CC1CC[NH2+]CC1)c1ccc(S(=O)(=O)CC)cc1 ZINC000094043600 193340797 /nfs/dbraw/zinc/34/07/97/193340797.db2.gz JIWVELCOJAUWDO-UHFFFAOYSA-N 1 0 310.463 2.306 10 0 DEAERO Cc1cc(Br)cnc1NCCOC1CC[NH2+]CC1 ZINC000094051415 193341654 /nfs/dbraw/zinc/34/16/54/193341654.db2.gz VEJNFXQAJFYCPI-UHFFFAOYSA-N 1 0 314.227 2.333 10 0 DEAERO C[C@@H](CC(N)=O)C[C@@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000094071928 193343111 /nfs/dbraw/zinc/34/31/11/193343111.db2.gz RJZQFUBUDXUQQZ-RDDDGLTNSA-N 1 0 303.175 2.490 10 0 DEAERO CCOC(=O)COC[C@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000094071861 193343547 /nfs/dbraw/zinc/34/35/47/193343547.db2.gz WEXSBFWLLPEXCO-NSHDSACASA-N 1 0 320.158 2.168 10 0 DEAERO C[NH2+][C@@H](c1cc(Br)ccc1F)[C@@H]1COCCO1 ZINC000094108713 193345572 /nfs/dbraw/zinc/34/55/72/193345572.db2.gz WSOKDRLTDBBFHU-RYUDHWBXSA-N 1 0 304.159 2.264 10 0 DEAERO C[C@]1(c2nc(-c3ncc(Cl)cc3Cl)no2)COC[C@@H]1[NH3+] ZINC000094199327 193348710 /nfs/dbraw/zinc/34/87/10/193348710.db2.gz HYMMURRUEZVWMM-UFBFGSQYSA-N 1 0 315.160 2.054 10 0 DEAERO CCc1nn(C)c(COc2ccc(C[C@H](C)[NH3+])nc2)c1Cl ZINC000094215689 193349295 /nfs/dbraw/zinc/34/92/95/193349295.db2.gz BEZVMAPHCYLYMK-JTQLQIEISA-N 1 0 308.813 2.500 10 0 DEAERO CCC([NH3+])(CC)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000094244214 193354367 /nfs/dbraw/zinc/35/43/67/193354367.db2.gz BJPJESKVGBWHMI-UHFFFAOYSA-N 1 0 320.361 2.139 10 0 DEAERO C[NH2+]Cc1cc(C)ccc1O[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094634524 193386526 /nfs/dbraw/zinc/38/65/26/193386526.db2.gz VGEDMOJIUOFAKA-HUUCEWRRSA-N 1 0 311.447 2.449 10 0 DEAERO CCC[NH2+][C@H](c1ccncn1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642342 193388667 /nfs/dbraw/zinc/38/86/67/193388667.db2.gz QGCHQQVUPQHGNB-YDHLFZDLSA-N 1 0 311.451 2.121 10 0 DEAERO CC[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@](C)(CC)N(C)C ZINC000094642908 193388965 /nfs/dbraw/zinc/38/89/65/193388965.db2.gz DYXCDAIEXVNRQB-QKPAOTATSA-N 1 0 318.527 2.298 10 0 DEAERO CCC[NH2+][C@H](c1cnn(C)c1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642576 193389238 /nfs/dbraw/zinc/38/92/38/193389238.db2.gz SERGDGIFUJELMD-SNPRPXQTSA-N 1 0 313.467 2.064 10 0 DEAERO CC(C)(C)[NH2+]Cc1ccn([C@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC000094644462 193389908 /nfs/dbraw/zinc/38/99/08/193389908.db2.gz XXFSVPSNEFSNSB-UONOGXRCSA-N 1 0 313.467 2.300 10 0 DEAERO CCC(CC)CN(CC(=O)OC)C(=O)[C@H](C[NH3+])CC(C)C ZINC000094698651 193391614 /nfs/dbraw/zinc/39/16/14/193391614.db2.gz JSTQMORXNAAEJK-AWEZNQCLSA-N 1 0 300.443 2.045 10 0 DEAERO COCC[N@H+](CCC(N)=S)[C@@H]1CCOC2(CCCCC2)C1 ZINC000094376038 193367160 /nfs/dbraw/zinc/36/71/60/193367160.db2.gz STGRKSYVKFUBAB-CQSZACIVSA-N 1 0 314.495 2.493 10 0 DEAERO [NH3+]CCc1ccc(O[C@H]2CCOC3(CCSCC3)C2)cn1 ZINC000094408781 193367982 /nfs/dbraw/zinc/36/79/82/193367982.db2.gz JGSRHKAHHQLPTC-AWEZNQCLSA-N 1 0 308.447 2.406 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(Br)cc1N ZINC000094457772 193371540 /nfs/dbraw/zinc/37/15/40/193371540.db2.gz RBAYNMWIULSBHD-MWLCHTKSSA-N 1 0 311.227 2.099 10 0 DEAERO CCOC(=O)[C@@]1(NCC[NH+](CC)CC)CSCCC1(C)C ZINC000094484676 193372905 /nfs/dbraw/zinc/37/29/05/193372905.db2.gz UCYKSKMRXOZPOW-INIZCTEOSA-N 1 0 316.511 2.383 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNc1nc(Br)cn2ccnc12 ZINC000094486814 193373066 /nfs/dbraw/zinc/37/30/66/193373066.db2.gz OGLCVXZPDGPPTP-JTQLQIEISA-N 1 0 324.226 2.388 10 0 DEAERO CCC[NH2+][C@H](Cc1ncnn1CC)[C@@H]1CSCCS1 ZINC000094498760 193374415 /nfs/dbraw/zinc/37/44/15/193374415.db2.gz UTIUPDYRCBRUSA-NEPJUHHUSA-N 1 0 300.497 2.057 10 0 DEAERO CCC[NH2+][C@H]1CCCc2sc([C@H]3CN4CCN3CC4)nc21 ZINC000094511099 193375110 /nfs/dbraw/zinc/37/51/10/193375110.db2.gz CJNANCRKOWUXQC-QWHCGFSZSA-N 1 0 306.479 2.192 10 0 DEAERO CCC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@H]1CN2CCN1CC2 ZINC000094510982 193375958 /nfs/dbraw/zinc/37/59/58/193375958.db2.gz LWKDGWONISUMTP-DLBZAZTESA-N 1 0 307.869 2.251 10 0 DEAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@@H]3CN4CCN3CC4)sc21 ZINC000094511056 193376203 /nfs/dbraw/zinc/37/62/03/193376203.db2.gz SLWNXGZVUQCWJA-YPMHNXCESA-N 1 0 306.479 2.048 10 0 DEAERO COc1ccc(CN2C[C@H](C)C[C@@H]([NH3+])C2)cc1OC(F)F ZINC000094548182 193378469 /nfs/dbraw/zinc/37/84/69/193378469.db2.gz WYYGQOVQHPOOBO-ZYHUDNBSSA-N 1 0 300.349 2.466 10 0 DEAERO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)sc1Br ZINC000094537005 193378721 /nfs/dbraw/zinc/37/87/21/193378721.db2.gz VPCMGODKUJUFGK-DTWKUNHWSA-N 1 0 315.236 2.253 10 0 DEAERO Cc1ccc(Br)cc1NC(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094567037 193380671 /nfs/dbraw/zinc/38/06/71/193380671.db2.gz YDMKPBBHKGDCPY-CMPLNLGQSA-N 1 0 313.195 2.202 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)NCCc2ccc(Cl)cc2Cl)O1 ZINC000094564527 193380980 /nfs/dbraw/zinc/38/09/80/193380980.db2.gz RACHKUISDHWKJY-AAEUAGOBSA-N 1 0 317.216 2.158 10 0 DEAERO [NH3+]Cc1ccc(C(=O)NCc2cccc(Br)c2)o1 ZINC000094570603 193380992 /nfs/dbraw/zinc/38/09/92/193380992.db2.gz ODMWSBNPWCOXHZ-UHFFFAOYSA-N 1 0 309.163 2.431 10 0 DEAERO O=C(c1cccc(C(F)(F)F)c1F)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000094598629 193382984 /nfs/dbraw/zinc/38/29/84/193382984.db2.gz ZZIBAHULVPYCQK-GZMMTYOYSA-N 1 0 302.271 2.278 10 0 DEAERO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(C(F)(F)F)c1N ZINC000094598898 193383093 /nfs/dbraw/zinc/38/30/93/193383093.db2.gz ABQIJIIZYPDMEK-VIFPVBQESA-N 1 0 303.328 2.358 10 0 DEAERO Brc1cccn2nc(NCCC[NH+]3CCCC3)nc12 ZINC000094605685 193383515 /nfs/dbraw/zinc/38/35/15/193383515.db2.gz NVXRSIKJRNMXMB-UHFFFAOYSA-N 1 0 324.226 2.390 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2nc3c(Br)cccn3n2)C1 ZINC000094608428 193384697 /nfs/dbraw/zinc/38/46/97/193384697.db2.gz MVABZGFDRMBUMK-VHSXEESVSA-N 1 0 324.226 2.055 10 0 DEAERO CC1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)COC1 ZINC000094722143 193394087 /nfs/dbraw/zinc/39/40/87/193394087.db2.gz PDCBFUKUCBWDEI-JTQLQIEISA-N 1 0 320.216 2.359 10 0 DEAERO C[NH2+][C@@H](C)c1cc(F)c(C)cc1Sc1nc(N)cc(=O)[nH]1 ZINC000094768438 193396333 /nfs/dbraw/zinc/39/63/33/193396333.db2.gz SETRSYCCYNRYDJ-QMMMGPOBSA-N 1 0 308.382 2.231 10 0 DEAERO COC1([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2)CCOCC1 ZINC000453055027 244883373 /nfs/dbraw/zinc/88/33/73/244883373.db2.gz ILBOISYMBSMFHJ-SJLPKXTDSA-N 1 0 318.461 2.435 10 0 DEAERO CCOC[C@@H]1CCC2(CCN(C(=O)c3cscn3)CC2)[N@@H+]1C ZINC000096207635 193581408 /nfs/dbraw/zinc/58/14/08/193581408.db2.gz MLUQGGKCAXTFJI-ZDUSSCGKSA-N 1 0 323.462 2.249 10 0 DEAERO C[NH+](C)Cc1cccc(N2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000096563418 193680255 /nfs/dbraw/zinc/68/02/55/193680255.db2.gz SQKHGFJHTMZVHG-UHFFFAOYSA-N 1 0 303.450 2.443 10 0 DEAERO COCC[NH2+]C[C@](C)(O)Cc1cc(Br)ccc1F ZINC000097241390 193697863 /nfs/dbraw/zinc/69/78/63/193697863.db2.gz UNWIYLFQGRKYBG-CYBMUJFWSA-N 1 0 320.202 2.118 10 0 DEAERO CCC[NH2+][C@H](c1cnsn1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097313041 193706809 /nfs/dbraw/zinc/70/68/09/193706809.db2.gz JGYAVQOZBKYILI-MDZLAQPJSA-N 1 0 317.480 2.182 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3c(=O)[nH]2)CC[N@@H+]1C ZINC000266124455 205118103 /nfs/dbraw/zinc/11/81/03/205118103.db2.gz YNCKZOYHQHODRP-JSGCOSHPSA-N 1 0 313.401 2.495 10 0 DEAERO Brc1cnc(CN[C@H]2CC[NH2+]C23CCC3)s1 ZINC000530179764 284361505 /nfs/dbraw/zinc/36/15/05/284361505.db2.gz WXRIFSBCBKHJJQ-QMMMGPOBSA-N 1 0 302.241 2.280 10 0 DEAERO O[C@H]1CC[NH2+]C[C@H]1CCOc1cccc(Br)c1 ZINC000160716041 197434107 /nfs/dbraw/zinc/43/41/07/197434107.db2.gz NSJAMVKFXKHGNS-MFKMUULPSA-N 1 0 300.196 2.188 10 0 DEAERO O=S1(=O)C[C@@H]([NH2+]Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000019794339 182150390 /nfs/dbraw/zinc/15/03/90/182150390.db2.gz VMIVEXMISUDXGH-DLBZAZTESA-N 1 0 301.411 2.357 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F ZINC000020189220 182195649 /nfs/dbraw/zinc/19/56/49/182195649.db2.gz PEQCQUPKYUUXFJ-UHFFFAOYSA-N 1 0 306.362 2.036 10 0 DEAERO CCCOc1ccc2ccccc2c1CNCC[NH2+]CCO ZINC000020967989 182256718 /nfs/dbraw/zinc/25/67/18/182256718.db2.gz ZALPKIBQAXYQKA-UHFFFAOYSA-N 1 0 302.418 2.300 10 0 DEAERO Cc1ccc(N2C(=O)C[C@H]([NH2+]C3Cc4ccccc4C3)C2=O)cc1 ZINC000021344481 182272613 /nfs/dbraw/zinc/27/26/13/182272613.db2.gz QQPPCGGCQKIXJQ-SFHVURJKSA-N 1 0 320.392 2.384 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Br)o2)C[C@H](C)O1 ZINC000022215189 182313737 /nfs/dbraw/zinc/31/37/37/182313737.db2.gz RQKWILGPCSQRSX-AEJSXWLSSA-N 1 0 303.200 2.151 10 0 DEAERO CC(C)CCn1c2ccccc2nc1NCCN1CC[NH2+]CC1 ZINC000022863901 182337906 /nfs/dbraw/zinc/33/79/06/182337906.db2.gz CMMQOCDLBQMGBG-UHFFFAOYSA-N 1 0 315.465 2.400 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000454907957 246249280 /nfs/dbraw/zinc/24/92/80/246249280.db2.gz UOCBWCLABLOOSJ-UHFFFAOYSA-N 1 0 306.410 2.131 10 0 DEAERO Cc1cc(NC(=O)NC[C@H]2C[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000531189472 284524049 /nfs/dbraw/zinc/52/40/49/284524049.db2.gz BIJKJYCUYYOEDY-DGCLKSJQSA-N 1 0 305.426 2.236 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@H](C)N1CC[NH+](C)C ZINC000036126273 182804993 /nfs/dbraw/zinc/80/49/93/182804993.db2.gz BKTQZRCNIPNBSZ-OKILXGFUSA-N 1 0 323.868 2.436 10 0 DEAERO CCOC(=O)C[C@H]([NH3+])c1cc2c(c(Br)c1)OCO2 ZINC000036897267 182851226 /nfs/dbraw/zinc/85/12/26/182851226.db2.gz LXDSJMPBAFLKCR-VIFPVBQESA-N 1 0 316.151 2.131 10 0 DEAERO Cc1nccn1CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000457513838 247845032 /nfs/dbraw/zinc/84/50/32/247845032.db2.gz FILWICFZGNXELR-KRWDZBQOSA-N 1 0 318.465 2.306 10 0 DEAERO Cc1cc(C)n(CC(=O)N(CC[NH+](C)C)Cc2ccsc2)n1 ZINC000458210350 248208027 /nfs/dbraw/zinc/20/80/27/248208027.db2.gz ZVUGTGRMFLPMQF-UHFFFAOYSA-N 1 0 320.462 2.152 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc(Br)cc1F)[S@](C)=O ZINC000159808883 197366577 /nfs/dbraw/zinc/36/65/77/197366577.db2.gz CJSAOKZXCOLHHC-ZKANADHPSA-N 1 0 308.216 2.445 10 0 DEAERO CC(C)NC(=O)COc1c(Cl)cc(Cl)cc1CC[NH3+] ZINC000037722094 182920286 /nfs/dbraw/zinc/92/02/86/182920286.db2.gz MJQRWRBBHMKREM-UHFFFAOYSA-N 1 0 305.205 2.398 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000037889735 182934354 /nfs/dbraw/zinc/93/43/54/182934354.db2.gz MUQDKZNIHSJXNL-RCBQFDQVSA-N 1 0 313.825 2.375 10 0 DEAERO CCC[NH2+]Cc1c(C)nn(C)c1-n1cc(Br)cn1 ZINC000038054650 182983358 /nfs/dbraw/zinc/98/33/58/182983358.db2.gz BJWWMLLLRPKVDA-UHFFFAOYSA-N 1 0 312.215 2.176 10 0 DEAERO COC(=O)c1sc(OCC[C@@H]2CCC[N@@H+]2C)nc1Cl ZINC000040240555 183048731 /nfs/dbraw/zinc/04/87/31/183048731.db2.gz RQWPQBDVCMJWLY-QMMMGPOBSA-N 1 0 304.799 2.446 10 0 DEAERO CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000040429167 183065925 /nfs/dbraw/zinc/06/59/25/183065925.db2.gz WLGQBRRTBFCHFJ-NSHDSACASA-N 1 0 310.419 2.486 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634275 183111815 /nfs/dbraw/zinc/11/18/15/183111815.db2.gz SPAPNYLKJMOGKM-DGCLKSJQSA-N 1 0 312.797 2.444 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000040633564 183111842 /nfs/dbraw/zinc/11/18/42/183111842.db2.gz WWQJLHJJCVTDRK-YPMHNXCESA-N 1 0 312.797 2.443 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000040635964 183112367 /nfs/dbraw/zinc/11/23/67/183112367.db2.gz GGXHFOOXQJZAFN-CHWSQXEVSA-N 1 0 317.216 2.329 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000040636059 183112833 /nfs/dbraw/zinc/11/28/33/183112833.db2.gz OOSDKIYWFIHCQV-TUKIKUTGSA-N 1 0 308.809 2.380 10 0 DEAERO CCCC[C@H]([NH3+])C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000040832839 183139189 /nfs/dbraw/zinc/13/91/89/183139189.db2.gz ZVLLWAXGAWWVFQ-ZDUSSCGKSA-N 1 0 300.349 2.464 10 0 DEAERO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000040834185 183140371 /nfs/dbraw/zinc/14/03/71/183140371.db2.gz XPGGGUQJGQUPRL-AWEZNQCLSA-N 1 0 309.797 2.389 10 0 DEAERO CCCC[C@H]([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000040858915 183142919 /nfs/dbraw/zinc/14/29/19/183142919.db2.gz PALXPFIIYZHKOI-JTQLQIEISA-N 1 0 310.419 2.479 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000040858866 183143078 /nfs/dbraw/zinc/14/30/78/183143078.db2.gz DUSJSOHXMZELNL-QPUJVOFHSA-N 1 0 310.419 2.335 10 0 DEAERO Nc1c(NCC[NH+]2CCCCC2)ncnc1N1CCCCCC1 ZINC000040725439 183124430 /nfs/dbraw/zinc/12/44/30/183124430.db2.gz IUVOHJKOFKTXOQ-UHFFFAOYSA-N 1 0 318.469 2.337 10 0 DEAERO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(Cl)s1 ZINC000040746815 183128594 /nfs/dbraw/zinc/12/85/94/183128594.db2.gz ORJOOUFYYBYYBL-ULKQDVFKSA-N 1 0 320.867 2.305 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749880 183128863 /nfs/dbraw/zinc/12/88/63/183128863.db2.gz RJHDRDDOPFLOIT-YHWZYXNKSA-N 1 0 314.838 2.291 10 0 DEAERO C[C@@H]([NH3+])c1noc(-c2ccc(I)cc2)n1 ZINC000041052354 183159565 /nfs/dbraw/zinc/15/95/65/183159565.db2.gz ATCKZZXGNRATOF-ZCFIWIBFSA-N 1 0 315.114 2.361 10 0 DEAERO C[NH+]1CCN(CC[C@H](O)c2ccc(Br)cc2)CC1 ZINC000041145246 183176334 /nfs/dbraw/zinc/17/63/34/183176334.db2.gz TUGWQWPWICJIBY-AWEZNQCLSA-N 1 0 313.239 2.120 10 0 DEAERO C[NH+](C)CCCNC(=O)c1cc(C2CC2)n(-c2ccccc2)n1 ZINC000041453021 183191840 /nfs/dbraw/zinc/19/18/40/183191840.db2.gz WHKYZGBVQBDULK-UHFFFAOYSA-N 1 0 312.417 2.431 10 0 DEAERO CC[C@H](CO)Nc1c2ccccc2[nH+]c(C)c1CC(=O)OC ZINC000041473229 183192965 /nfs/dbraw/zinc/19/29/65/183192965.db2.gz RVFYKUWRTJIYRH-GFCCVEGCSA-N 1 0 302.374 2.442 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc(SC)c1 ZINC000041604195 183209488 /nfs/dbraw/zinc/20/94/88/183209488.db2.gz WEJUQEQFWVWELJ-GFCCVEGCSA-N 1 0 323.462 2.194 10 0 DEAERO CNS(=O)(=O)c1ccccc1NCCCC[N@H+](C)C(C)C ZINC000041676260 183215497 /nfs/dbraw/zinc/21/54/97/183215497.db2.gz GRRBIAZLUXAKNZ-UHFFFAOYSA-N 1 0 313.467 2.127 10 0 DEAERO CC[NH+](CC)C[C@@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000041677179 183215570 /nfs/dbraw/zinc/21/55/70/183215570.db2.gz XLIYLBSJGBCHDF-CYBMUJFWSA-N 1 0 313.467 2.079 10 0 DEAERO COCC[NH2+]CCN(C)Cc1cccc(Br)c1 ZINC000042427944 183269498 /nfs/dbraw/zinc/26/94/98/183269498.db2.gz DPMMWPNAAZKLHZ-UHFFFAOYSA-N 1 0 301.228 2.117 10 0 DEAERO CC(C)[N@H+](CCO)CC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000042477999 183274247 /nfs/dbraw/zinc/27/42/47/183274247.db2.gz QVVJXHCBUOZZLY-UHFFFAOYSA-N 1 0 320.220 2.217 10 0 DEAERO CC[N@H+](CCOc1ccc(CC(N)=S)cc1)[C@@H](C)COC ZINC000042765875 183306351 /nfs/dbraw/zinc/30/63/51/183306351.db2.gz SMNAOTKANKZJSL-ZDUSSCGKSA-N 1 0 310.463 2.251 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CCCC[C@@H]1C(N)=O ZINC000043052362 183333153 /nfs/dbraw/zinc/33/31/53/183333153.db2.gz ZCALABZPAGXTBD-ZNMIVQPWSA-N 1 0 309.841 2.458 10 0 DEAERO COCCN(CCOC)[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042945354 183320129 /nfs/dbraw/zinc/32/01/29/183320129.db2.gz LXOYZUWAVDKHAU-DOMZBBRYSA-N 1 0 300.830 2.323 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCCC[C@@H]1C(N)=O ZINC000042946465 183320809 /nfs/dbraw/zinc/32/08/09/183320809.db2.gz NRGSUZIVQQOQER-RRFJBIMHSA-N 1 0 309.841 2.458 10 0 DEAERO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCC(CO)CC1 ZINC000042952715 183322175 /nfs/dbraw/zinc/32/21/75/183322175.db2.gz OPCOWTQIAISRNT-CQSZACIVSA-N 1 0 313.239 2.153 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCC[C@H](O)C1 ZINC000043020743 183329481 /nfs/dbraw/zinc/32/94/81/183329481.db2.gz PHVJQEOXSHQYMN-BPNCWPANSA-N 1 0 313.239 2.294 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CCO)C1CC1 ZINC000043021724 183329988 /nfs/dbraw/zinc/32/99/88/183329988.db2.gz WUYLHAGOIDCMBY-HZMBPMFUSA-N 1 0 313.239 2.294 10 0 DEAERO CC(C)[C@@H](C)NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000043068002 183333509 /nfs/dbraw/zinc/33/35/09/183333509.db2.gz ZGMCBFGDDVYOFY-CQSZACIVSA-N 1 0 307.438 2.471 10 0 DEAERO COC(=O)CS[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043025002 183331501 /nfs/dbraw/zinc/33/15/01/183331501.db2.gz MPPFHOCYTBTSLJ-JTQLQIEISA-N 1 0 304.209 2.355 10 0 DEAERO CNC(=O)C1CCN([C@H](c2ccccc2Cl)[C@H](C)[NH3+])CC1 ZINC000043051536 183332681 /nfs/dbraw/zinc/33/26/81/183332681.db2.gz ZPEMKXUDJOQATD-NHYWBVRUSA-N 1 0 309.841 2.186 10 0 DEAERO COCCN(CCOC)[C@@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043051583 183332721 /nfs/dbraw/zinc/33/27/21/183332721.db2.gz HPPARFYNWOYHMS-IUODEOHRSA-N 1 0 300.830 2.323 10 0 DEAERO CNC(=O)C1CCN([C@@H](c2ccccc2Cl)[C@@H](C)[NH3+])CC1 ZINC000043051539 183333015 /nfs/dbraw/zinc/33/30/15/183333015.db2.gz ZPEMKXUDJOQATD-IAQYHMDHSA-N 1 0 309.841 2.186 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccsc1)N1CCN(c2nccs2)CC1 ZINC000043115982 183339050 /nfs/dbraw/zinc/33/90/50/183339050.db2.gz YJGKYVXXAWFEHM-WCQYABFASA-N 1 0 308.476 2.415 10 0 DEAERO CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000043164922 183342319 /nfs/dbraw/zinc/34/23/19/183342319.db2.gz VTTIPPUSCKCFCZ-MRXNPFEDSA-N 1 0 317.433 2.493 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1sccc1C)N(CCOC)CCOC ZINC000043248095 183347380 /nfs/dbraw/zinc/34/73/80/183347380.db2.gz FWHBSASCHWXFHS-ZIAGYGMSSA-N 1 0 300.468 2.430 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CCOCC1 ZINC000043258520 183347627 /nfs/dbraw/zinc/34/76/27/183347627.db2.gz BJGPKJWDBUZDSZ-KCJUWKMLSA-N 1 0 305.241 2.231 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CCN(C)CC1 ZINC000043284395 183350289 /nfs/dbraw/zinc/35/02/89/183350289.db2.gz UVZPUVAQXAQHLZ-SKDRFNHKSA-N 1 0 318.284 2.146 10 0 DEAERO COc1ccc(Cl)c(NS(=O)(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000043318850 183354327 /nfs/dbraw/zinc/35/43/27/183354327.db2.gz XRMSHMUCGJFWLO-SNVBAGLBSA-N 1 0 318.826 2.090 10 0 DEAERO CCOc1cc(C[NH2+]C)cc(Br)c1OCCCO ZINC000043444035 183364198 /nfs/dbraw/zinc/36/41/98/183364198.db2.gz MNXCQDRUJMGQDO-UHFFFAOYSA-N 1 0 318.211 2.328 10 0 DEAERO CC(C)CN(CCC[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000043417220 183361090 /nfs/dbraw/zinc/36/10/90/183361090.db2.gz LDSKAYFAYOUYCH-UHFFFAOYSA-N 1 0 320.405 2.494 10 0 DEAERO C[C@H]1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC[C@H](C)[NH2+]1 ZINC000045174034 183487944 /nfs/dbraw/zinc/48/79/44/183487944.db2.gz SITROCDHOKRAST-KBPBESRZSA-N 1 0 310.463 2.053 10 0 DEAERO Cc1cccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1O ZINC000274056363 211312864 /nfs/dbraw/zinc/31/28/64/211312864.db2.gz REPGAUFWRFIZDZ-DGCLKSJQSA-N 1 0 301.346 2.286 10 0 DEAERO COc1ccccc1CCN(C)C(=O)NCC[N@H+](C)C(C)C ZINC000104801493 194042072 /nfs/dbraw/zinc/04/20/72/194042072.db2.gz DCNQAIRCYVOTKU-UHFFFAOYSA-N 1 0 307.438 2.219 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2nc(N)sc2c1 ZINC000105739053 194122569 /nfs/dbraw/zinc/12/25/69/194122569.db2.gz FYPSAJNCUZUWBK-NSHDSACASA-N 1 0 304.419 2.093 10 0 DEAERO CC[C@@H]1CN(CCCOc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000105825902 194138557 /nfs/dbraw/zinc/13/85/57/194138557.db2.gz OQNBXYLOEBMZOT-IAGOWNOFSA-N 1 0 306.450 2.233 10 0 DEAERO COCC[N@@H+]1CCN(CCOc2ccc(Cl)cc2)C[C@@H]1C ZINC000105831822 194140340 /nfs/dbraw/zinc/14/03/40/194140340.db2.gz OOUOLSWQVCKYQR-AWEZNQCLSA-N 1 0 312.841 2.371 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(CCSc2ccc(F)cc2)C[C@@H]1C ZINC000105912177 194167899 /nfs/dbraw/zinc/16/78/99/194167899.db2.gz UYOAFZFPYFIDKV-UONOGXRCSA-N 1 0 312.454 2.305 10 0 DEAERO CCOc1ccc(CNC(=O)NCC[N@H+](C)C(C)C)cc1F ZINC000106271858 194193413 /nfs/dbraw/zinc/19/34/13/194193413.db2.gz LMFFAEDPGDXXNC-UHFFFAOYSA-N 1 0 311.401 2.364 10 0 DEAERO COC(=O)c1sc(N[C@@H](C)C[NH+]2CCCC2)nc1Cl ZINC000048738696 183683635 /nfs/dbraw/zinc/68/36/35/183683635.db2.gz CXANMFRIAYXZEY-QMMMGPOBSA-N 1 0 303.815 2.479 10 0 DEAERO C[C@H]1CCC[C@@H](N(C)S(=O)(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000049013998 183702010 /nfs/dbraw/zinc/70/20/10/183702010.db2.gz RDASESFLDAOGLW-XJKSGUPXSA-N 1 0 310.463 2.486 10 0 DEAERO CN(c1ccc(F)cc1)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000049965996 183765689 /nfs/dbraw/zinc/76/56/89/183765689.db2.gz MBWPDXWQNRWRNL-CYBMUJFWSA-N 1 0 300.399 2.124 10 0 DEAERO CN(c1cccc(F)c1)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000050010262 183767412 /nfs/dbraw/zinc/76/74/12/183767412.db2.gz SYIXVWZAGZJGKN-UHFFFAOYSA-N 1 0 314.407 2.214 10 0 DEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000109471713 194266752 /nfs/dbraw/zinc/26/67/52/194266752.db2.gz QNLDLXAPQPHLBH-LBPRGKRZSA-N 1 0 312.870 2.312 10 0 DEAERO CC(C)C[NH2+]CC1(CN2CCS(=O)CC2)CCCCC1 ZINC000051252262 183820797 /nfs/dbraw/zinc/82/07/97/183820797.db2.gz PCXQIDDCBBSPCW-UHFFFAOYSA-N 1 0 300.512 2.247 10 0 DEAERO CCC[NH+]1CCC(N(C)CC(=O)Nc2ccccc2OC)CC1 ZINC000109786106 194285383 /nfs/dbraw/zinc/28/53/83/194285383.db2.gz MEQWEURJFOAYNC-UHFFFAOYSA-N 1 0 319.449 2.440 10 0 DEAERO CC(C)(C)[NH2+]C[C@@H]1CCCN1c1ccc(S(C)(=O)=O)cc1 ZINC000053695517 183910282 /nfs/dbraw/zinc/91/02/82/183910282.db2.gz SAFGHGOEZYYSAZ-AWEZNQCLSA-N 1 0 310.463 2.447 10 0 DEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)c(I)c1 ZINC000054073832 183922976 /nfs/dbraw/zinc/92/29/76/183922976.db2.gz IPFISMMSYRIKGE-MRVPVSSYSA-N 1 0 318.158 2.146 10 0 DEAERO CC(C)C[NH2+]Cc1c(Cl)cccc1N1CCNC(=O)[C@H]1C ZINC000110662290 194348404 /nfs/dbraw/zinc/34/84/04/194348404.db2.gz SRNKVOSNIUNHDQ-GFCCVEGCSA-N 1 0 309.841 2.410 10 0 DEAERO CCN(CCOC)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1Cl ZINC000110829159 194361913 /nfs/dbraw/zinc/36/19/13/194361913.db2.gz MNTAFUAGXRYYRA-LBPRGKRZSA-N 1 0 316.829 2.325 10 0 DEAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccccc1Cl ZINC000110942189 194372785 /nfs/dbraw/zinc/37/27/85/194372785.db2.gz SQGVAJRMSFHUKO-LBPRGKRZSA-N 1 0 316.854 2.493 10 0 DEAERO COCCN(CCOC)c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000054908967 183954535 /nfs/dbraw/zinc/95/45/35/183954535.db2.gz PMSZMWGSYYFRAT-UHFFFAOYSA-N 1 0 301.456 2.130 10 0 DEAERO CCOCCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000111125585 194392945 /nfs/dbraw/zinc/39/29/45/194392945.db2.gz XEFWQQGLEUNYNH-ZDUSSCGKSA-N 1 0 314.451 2.014 10 0 DEAERO CCOCCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000111125582 194393181 /nfs/dbraw/zinc/39/31/81/194393181.db2.gz XEFWQQGLEUNYNH-CYBMUJFWSA-N 1 0 314.451 2.014 10 0 DEAERO C[C@@](O)(Cc1cccc(C(F)(F)F)c1)C[C@H]1COCC[NH2+]1 ZINC000156778118 197140740 /nfs/dbraw/zinc/14/07/40/197140740.db2.gz XODUCFHAOXANQH-UONOGXRCSA-N 1 0 303.324 2.377 10 0 DEAERO C[N@@H+](CC(=O)Nc1ccc(N)cc1Cl)C[C@@H]1CCCOC1 ZINC000111154873 194396317 /nfs/dbraw/zinc/39/63/17/194396317.db2.gz ZAGTWOXIDBZQOS-NSHDSACASA-N 1 0 311.813 2.219 10 0 DEAERO CCC[NH2+][C@H](c1c(F)cc(OC)cc1F)[C@H]1COCCO1 ZINC000055300994 183977654 /nfs/dbraw/zinc/97/76/54/183977654.db2.gz SJJONQPMHRAFGA-HIFRSBDPSA-N 1 0 301.333 2.430 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2c2cccn2C)C1 ZINC000057870670 184059666 /nfs/dbraw/zinc/05/96/66/184059666.db2.gz SYXDYXDBBBWGAP-GOEBONIOSA-N 1 0 304.438 2.356 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(F)cc1Cl)CS(C)(=O)=O ZINC000060706258 184154395 /nfs/dbraw/zinc/15/43/95/184154395.db2.gz FCKKUAVNKMYQDH-GFCCVEGCSA-N 1 0 307.818 2.434 10 0 DEAERO C[N@H+](CCC(=O)Nc1ccccc1C(N)=S)CC1CCC1 ZINC000061457978 184171272 /nfs/dbraw/zinc/17/12/72/184171272.db2.gz BSHFYVMXUMTYQG-UHFFFAOYSA-N 1 0 305.447 2.381 10 0 DEAERO [NH3+]Cc1cccc(S(=O)(=O)Nc2cc(F)c(F)cc2F)c1 ZINC000061094192 184161650 /nfs/dbraw/zinc/16/16/50/184161650.db2.gz MKQPIUVXXZPINS-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000061235120 184166776 /nfs/dbraw/zinc/16/67/76/184166776.db2.gz PMYJJWPBNCMRNQ-LLVKDONJSA-N 1 0 300.349 2.492 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000061271145 184167123 /nfs/dbraw/zinc/16/71/23/184167123.db2.gz ZTSHAXHGHOGZDE-SECBINFHSA-N 1 0 320.361 2.010 10 0 DEAERO CC[NH2+][C@@](C)(CCSc1nc2cc(C)ccc2[nH]1)C(N)=O ZINC000061441018 184170995 /nfs/dbraw/zinc/17/09/95/184170995.db2.gz AFABIHMAYSDYCF-HNNXBMFYSA-N 1 0 306.435 2.207 10 0 DEAERO O=C(c1ccc(Br)cn1)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000061864082 184190605 /nfs/dbraw/zinc/19/06/05/184190605.db2.gz BJTMCLYVEHQUCD-YPMHNXCESA-N 1 0 324.222 2.201 10 0 DEAERO CC[NH+](CC)CCCNc1nc(Cl)nc(N2CCCC2)n1 ZINC000061536600 184172495 /nfs/dbraw/zinc/17/24/95/184172495.db2.gz FZQCCRQPMZDZME-UHFFFAOYSA-N 1 0 312.849 2.269 10 0 DEAERO CC(C)Oc1nc(Cl)nc(N[C@H](C[NH+](C)C)C(C)C)n1 ZINC000061539287 184173739 /nfs/dbraw/zinc/17/37/39/184173739.db2.gz IVOVGSGHQOQRPN-SNVBAGLBSA-N 1 0 301.822 2.310 10 0 DEAERO Cc1ccccc1[C@@H](Sc1n[nH]c(=O)n1C1CC1)[C@@H](C)[NH3+] ZINC000061594583 184175936 /nfs/dbraw/zinc/17/59/36/184175936.db2.gz QUONLXHXCYOWHB-MFKMUULPSA-N 1 0 304.419 2.395 10 0 DEAERO CC(C)n1c(S[C@@H](c2ccc(F)cc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595219 184176511 /nfs/dbraw/zinc/17/65/11/184176511.db2.gz HAEBHKBIGXTFHJ-BXKDBHETSA-N 1 0 310.398 2.472 10 0 DEAERO O=c1ccn(CC[NH2+]Cc2cc(Br)cs2)cc1 ZINC000061628659 184179105 /nfs/dbraw/zinc/17/91/05/184179105.db2.gz RLAXHQHFELUECK-UHFFFAOYSA-N 1 0 313.220 2.462 10 0 DEAERO CC[C@H](Oc1ccc(Br)cc1[C@H](C)[NH2+]C)C(N)=O ZINC000061676074 184181880 /nfs/dbraw/zinc/18/18/80/184181880.db2.gz BJXHBNBKGDMTNX-KWQFWETISA-N 1 0 315.211 2.372 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Br)o2)CCCO1 ZINC000061916360 184195151 /nfs/dbraw/zinc/19/51/51/184195151.db2.gz MMXVEGGDCFUWNF-ZJUUUORDSA-N 1 0 303.200 2.153 10 0 DEAERO [NH3+]C[C@H](c1cc(Br)cs1)N1CCCOCC1 ZINC000061914530 184195165 /nfs/dbraw/zinc/19/51/65/184195165.db2.gz ZQDZZVHUJYRPEI-SNVBAGLBSA-N 1 0 305.241 2.233 10 0 DEAERO CCC[NH2+][C@H]1CCCC[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941294 184197191 /nfs/dbraw/zinc/19/71/91/184197191.db2.gz PLPCPWZNBKOAMN-KBPBESRZSA-N 1 0 307.404 2.477 10 0 DEAERO COC(=O)[C@]1(Nc2cccc(Br)c2)CC[N@H+](C)C1 ZINC000061991481 184199754 /nfs/dbraw/zinc/19/97/54/184199754.db2.gz LRRXDDOMNFAKGX-ZDUSSCGKSA-N 1 0 313.195 2.108 10 0 DEAERO C[C@H](c1ccccc1Cl)N(C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014438 184201130 /nfs/dbraw/zinc/20/11/30/184201130.db2.gz SVHQTFQOQUEXDE-CYBMUJFWSA-N 1 0 309.841 2.155 10 0 DEAERO COCCCN(C)[C@H](C[NH3+])c1cc(Cl)c2c(c1)OCCO2 ZINC000062029984 184202161 /nfs/dbraw/zinc/20/21/61/184202161.db2.gz HWDVEKHSEQCHAA-CYBMUJFWSA-N 1 0 314.813 2.079 10 0 DEAERO COCCCN(C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000062029369 184202442 /nfs/dbraw/zinc/20/24/42/184202442.db2.gz RMCJQXWVUZLWPG-ZDUSSCGKSA-N 1 0 301.228 2.417 10 0 DEAERO C[C@H](C(=O)N(C)[C@H](C)c1ccccc1Cl)N1CC[NH2+]CC1 ZINC000062028181 184202466 /nfs/dbraw/zinc/20/24/66/184202466.db2.gz NVXFJIJOBXMQLB-CHWSQXEVSA-N 1 0 309.841 2.153 10 0 DEAERO COCCN1C(=O)C[C@@H]([NH3+])[C@H]1c1c(Cl)cccc1Cl ZINC000062210261 184220626 /nfs/dbraw/zinc/22/06/26/184220626.db2.gz FCMGBGIVIDXCLS-MFKMUULPSA-N 1 0 303.189 2.241 10 0 DEAERO CC(C)C(=O)N1CCC(c2ccccc2)([NH+]2CCOCC2)CC1 ZINC000062554660 184242376 /nfs/dbraw/zinc/24/23/76/184242376.db2.gz RZYOOUZQGULUBI-UHFFFAOYSA-N 1 0 316.445 2.493 10 0 DEAERO Cc1ncc(C[C@H](C[NH2+]C(C)C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000062337386 184231068 /nfs/dbraw/zinc/23/10/68/184231068.db2.gz ZJSFWHMJOBRCRJ-QWHCGFSZSA-N 1 0 316.492 2.043 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)ccc1OCC(=O)OC(C)C ZINC000062731123 184251164 /nfs/dbraw/zinc/25/11/64/184251164.db2.gz NFIKDKMSSXAWLH-UHFFFAOYSA-N 1 0 315.797 2.406 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCC(=O)NCC(F)(F)F ZINC000062746170 184252147 /nfs/dbraw/zinc/25/21/47/184252147.db2.gz ZZGBLEZTCMRPRN-QMMMGPOBSA-N 1 0 308.275 2.163 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCC2(CCCC2)CC1 ZINC000062960097 184262369 /nfs/dbraw/zinc/26/23/69/184262369.db2.gz HTHDEOAGYCFYBT-UHFFFAOYSA-N 1 0 302.484 2.361 10 0 DEAERO CC[C@@]1(C(=O)Nc2cc(C(=O)NC)ccc2Cl)CC[NH2+]C1 ZINC000062892996 184258349 /nfs/dbraw/zinc/25/83/49/184258349.db2.gz GMTAGBJHIXUSOQ-OAHLLOKOSA-N 1 0 309.797 2.028 10 0 DEAERO CC[NH2+]Cc1ccc(OC[C@H](C)C(N)=O)c(Br)c1 ZINC000062701235 184247514 /nfs/dbraw/zinc/24/75/14/184247514.db2.gz HTXANVXPCPFUGW-VIFPVBQESA-N 1 0 315.211 2.059 10 0 DEAERO OCc1ccc(OCC[NH+]2CCCC2)c(Br)c1 ZINC000062703092 184247955 /nfs/dbraw/zinc/24/79/55/184247955.db2.gz MLEXTSFHQNGBMW-UHFFFAOYSA-N 1 0 300.196 2.416 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063213882 184278890 /nfs/dbraw/zinc/27/88/90/184278890.db2.gz PJLGPVKFFJFHHZ-STQMWFEESA-N 1 0 300.399 2.072 10 0 DEAERO NC(=S)c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000062980130 184264174 /nfs/dbraw/zinc/26/41/74/184264174.db2.gz YGNUMXBFXUZXQE-INIZCTEOSA-N 1 0 303.475 2.381 10 0 DEAERO NS(=O)(=O)c1ccc(CCNC(=[NH2+])C2CCCCC2)cc1 ZINC000062992796 184265153 /nfs/dbraw/zinc/26/51/53/184265153.db2.gz HKEAAVNNRWOARU-UHFFFAOYSA-N 1 0 309.435 2.024 10 0 DEAERO COc1ccc(C[NH2+]C(C)C)cc1OCCCS(C)(=O)=O ZINC000063014340 184266456 /nfs/dbraw/zinc/26/64/56/184266456.db2.gz HFWVWBIHQFPMBN-UHFFFAOYSA-N 1 0 315.435 2.007 10 0 DEAERO CCC[NH2+][C@@H](CC)c1c(C)nn(CCCS(C)(=O)=O)c1C ZINC000063018583 184267323 /nfs/dbraw/zinc/26/73/23/184267323.db2.gz UXGMPUWGZHTBBH-AWEZNQCLSA-N 1 0 315.483 2.385 10 0 DEAERO C[C@@H](CC(N)=[NH2+])N(C)CCOc1cccc(Br)c1 ZINC000063092280 184270123 /nfs/dbraw/zinc/27/01/23/184270123.db2.gz PTYJZTITADTDIE-JTQLQIEISA-N 1 0 314.227 2.474 10 0 DEAERO CCCN(CCC)S(=O)(=O)N1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000063138625 184273287 /nfs/dbraw/zinc/27/32/87/184273287.db2.gz AOFGERFFLKFEOO-HNNXBMFYSA-N 1 0 319.515 2.063 10 0 DEAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000063138753 184273363 /nfs/dbraw/zinc/27/33/63/184273363.db2.gz SBOMXTWCUAUSHD-CYBMUJFWSA-N 1 0 314.426 2.224 10 0 DEAERO C[C@@H]([NH3+])CCNC(=O)c1cc(Br)cn1C1CC1 ZINC000063170213 184275562 /nfs/dbraw/zinc/27/55/62/184275562.db2.gz RKZJCYOYVPSHOT-MRVPVSSYSA-N 1 0 300.200 2.053 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1CC(=O)Nc1ccccc1SC ZINC000063168895 184275710 /nfs/dbraw/zinc/27/57/10/184275710.db2.gz NNLHQVOIFKPXDI-CYBMUJFWSA-N 1 0 307.463 2.421 10 0 DEAERO Cc1c(C[NH+]2CCC([C@H](O)c3ccccn3)CC2)cnn1C ZINC000065288639 184323230 /nfs/dbraw/zinc/32/32/30/184323230.db2.gz BTWXDKCMVSJHND-KRWDZBQOSA-N 1 0 300.406 2.069 10 0 DEAERO COCCn1ncc(Br)c1[C@@H]([NH3+])CC(F)(F)F ZINC000158903415 197310553 /nfs/dbraw/zinc/31/05/53/197310553.db2.gz HQUJMHACKKFGDA-ZETCQYMHSA-N 1 0 316.121 2.244 10 0 DEAERO COc1cc(C)cc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1O ZINC000066635151 184420257 /nfs/dbraw/zinc/42/02/57/184420257.db2.gz SEAJWDYTTDBWPM-UHFFFAOYSA-N 1 0 318.417 2.410 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccc(F)c2)CC1 ZINC000112712096 194509229 /nfs/dbraw/zinc/50/92/29/194509229.db2.gz RQVZFYFQVYDING-CYBMUJFWSA-N 1 0 323.412 2.382 10 0 DEAERO CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(CC[NH3+])s2)C1 ZINC000068586371 184492748 /nfs/dbraw/zinc/49/27/48/184492748.db2.gz GBMQEFCUBXTQQU-VXGBXAGGSA-N 1 0 316.492 2.496 10 0 DEAERO CCC(CC)[C@H](CNC(=O)NCC1(C)COC1)[NH+]1CCCC1 ZINC000112742067 194516366 /nfs/dbraw/zinc/51/63/66/194516366.db2.gz QBMGBNKOHLRIDF-HNNXBMFYSA-N 1 0 311.470 2.223 10 0 DEAERO Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)CCCO2 ZINC000180493092 291834270 /nfs/dbraw/zinc/83/42/70/291834270.db2.gz GUSRVZFLBXYCCT-WBVHZDCISA-N 1 0 304.434 2.437 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCCc1nc(C2CC2)no1 ZINC000119827773 195043380 /nfs/dbraw/zinc/04/33/80/195043380.db2.gz PQVULHNKQQRERT-CQSZACIVSA-N 1 0 322.453 2.362 10 0 DEAERO OC1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CCOCC1 ZINC000269974280 208025409 /nfs/dbraw/zinc/02/54/09/208025409.db2.gz PCETTZBDCWPEAQ-WBVHZDCISA-N 1 0 305.418 2.285 10 0 DEAERO CC(=O)c1cccc(O[C@@H](C)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000539418037 285076712 /nfs/dbraw/zinc/07/67/12/285076712.db2.gz MGQYJGABZYKRTN-AWEZNQCLSA-N 1 0 306.406 2.067 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CSc1nc2ccccc2[nH]1 ZINC000539415892 285076087 /nfs/dbraw/zinc/07/60/87/285076087.db2.gz HMSHFVQMFRQTRZ-UHFFFAOYSA-N 1 0 306.435 2.065 10 0 DEAERO CCN(C[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1)CC(F)(F)F ZINC000176401843 285089404 /nfs/dbraw/zinc/08/94/04/285089404.db2.gz VMCHVCPFOSMQLO-GFCCVEGCSA-N 1 0 323.403 2.107 10 0 DEAERO COc1ccnc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1 ZINC000328626198 533059142 /nfs/dbraw/zinc/05/91/42/533059142.db2.gz LMGKDPYAZKPLJS-HOCLYGCPSA-N 1 0 313.405 2.009 10 0 DEAERO CCn1cc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)cn1 ZINC000159133527 197330362 /nfs/dbraw/zinc/33/03/62/197330362.db2.gz WYIPRWOGSIXLIN-YOEHRIQHSA-N 1 0 314.433 2.253 10 0 DEAERO CC(C)[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1CC[S@](C)=O ZINC000159180717 197334191 /nfs/dbraw/zinc/33/41/91/197334191.db2.gz CFFWEHVLXFVFHB-TWOQFEAHSA-N 1 0 300.512 2.244 10 0 DEAERO CCc1cc(N2CCC([NH2+][C@H](COC)C(C)C)CC2)ncn1 ZINC000159092289 197326672 /nfs/dbraw/zinc/32/66/72/197326672.db2.gz JAUWEMURTVGRBC-MRXNPFEDSA-N 1 0 306.454 2.268 10 0 DEAERO CCN(CC(C)C)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159066615 197323288 /nfs/dbraw/zinc/32/32/88/197323288.db2.gz JQGPBFYLIRZXIM-UHFFFAOYSA-N 1 0 302.415 2.259 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCCCC2)cc(C)c1F ZINC000159055928 197322729 /nfs/dbraw/zinc/32/27/29/197322729.db2.gz GYFISLKAEGDBFA-UHFFFAOYSA-N 1 0 300.399 2.028 10 0 DEAERO CC(C)(C)[NH2+]Cc1cc(S(=O)(=O)N2CCCC2)ccc1F ZINC000159048112 197322135 /nfs/dbraw/zinc/32/21/35/197322135.db2.gz UFNVJMYOGOKBJW-UHFFFAOYSA-N 1 0 314.426 2.498 10 0 DEAERO CCC[NH2+][C@H](C)c1cccc(NC(=O)NCC[S@@](C)=O)c1 ZINC000159016504 197318978 /nfs/dbraw/zinc/31/89/78/197318978.db2.gz DZMXDHCDXBPKHS-GTJPDFRWSA-N 1 0 311.451 2.247 10 0 DEAERO CC[C@H]([NH3+])Cc1ccc(Sc2nnc(N(C)C)s2)nc1 ZINC000158963985 197314733 /nfs/dbraw/zinc/31/47/33/197314733.db2.gz FESWOYFJJCZIDY-JTQLQIEISA-N 1 0 309.464 2.430 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)c1ccccc1Cl)[C@@H]1CCOC1 ZINC000158718788 197296569 /nfs/dbraw/zinc/29/65/69/197296569.db2.gz RGULCPGHJQQHPM-YPMHNXCESA-N 1 0 317.838 2.128 10 0 DEAERO CCn1ncc(Br)c1[C@@H](C[C@@H]1CCCO1)[NH2+]C ZINC000158642334 197290309 /nfs/dbraw/zinc/29/03/09/197290309.db2.gz CCLYVZPKIDGKAX-GXSJLCMTSA-N 1 0 302.216 2.495 10 0 DEAERO C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1cccc(Cl)c1 ZINC000120252430 195127533 /nfs/dbraw/zinc/12/75/33/195127533.db2.gz YUGICVBVFJEFON-ABAIWWIYSA-N 1 0 313.829 2.013 10 0 DEAERO S=C1N=NC(c2cccnc2)N1[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158568802 197284629 /nfs/dbraw/zinc/28/46/29/197284629.db2.gz JNVPWOOHDWUWSH-CHWSQXEVSA-N 1 0 301.419 2.428 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cnn(C2CCOCC2)c1C ZINC000158391400 197268186 /nfs/dbraw/zinc/26/81/86/197268186.db2.gz AUKHGBLJNPMSGN-ZDUSSCGKSA-N 1 0 322.453 2.003 10 0 DEAERO CCC[C@@H]([NH3+])CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000158388901 197267844 /nfs/dbraw/zinc/26/78/44/197267844.db2.gz CUBDLNJJEWOIEQ-SECBINFHSA-N 1 0 310.341 2.111 10 0 DEAERO COCCn1ncc(Br)c1[C@H]([NH3+])c1cccs1 ZINC000158347989 197264024 /nfs/dbraw/zinc/26/40/24/197264024.db2.gz NSDGKVHGTGZSRC-SNVBAGLBSA-N 1 0 316.224 2.402 10 0 DEAERO [NH3+]CCc1nnc(-c2nc3ccccc3cc2Br)[nH]1 ZINC000158410431 197269965 /nfs/dbraw/zinc/26/99/65/197269965.db2.gz HVVBZBZDESZKDJ-UHFFFAOYSA-N 1 0 318.178 2.284 10 0 DEAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1CCS(=O)CC1 ZINC000158155901 197248699 /nfs/dbraw/zinc/24/86/99/197248699.db2.gz SDYLBLBGHBYPCH-UHFFFAOYSA-N 1 0 314.838 2.088 10 0 DEAERO CCC[C@@H](C(=O)N1CCO[C@H](c2cccc(OC)c2)C1)[NH+](C)C ZINC000158071655 197240911 /nfs/dbraw/zinc/24/09/11/197240911.db2.gz UPXIEPRTLRXMOS-IRXDYDNUSA-N 1 0 320.433 2.325 10 0 DEAERO c1cnnc(NC2CC[NH+](Cc3cccc4c3OCO4)CC2)c1 ZINC000120289467 195136849 /nfs/dbraw/zinc/13/68/49/195136849.db2.gz DUQYUMAGJIVJIO-UHFFFAOYSA-N 1 0 312.373 2.282 10 0 DEAERO C[C@H]1C[C@H](Nc2nc3c(cc2C(N)=S)CCC3)CC[N@@H+]1C ZINC000158059859 197239521 /nfs/dbraw/zinc/23/95/21/197239521.db2.gz JOIJUUWXZILAMG-CMPLNLGQSA-N 1 0 304.463 2.099 10 0 DEAERO C[C@@H](CCO)NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000157986063 197232645 /nfs/dbraw/zinc/23/26/45/197232645.db2.gz UFSXISJHSOQMLR-RDJZCZTQSA-N 1 0 319.449 2.111 10 0 DEAERO Nc1cc(F)c(Br)cc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157933435 197228326 /nfs/dbraw/zinc/22/83/26/197228326.db2.gz XGYWJKGUDSTVBT-SECBINFHSA-N 1 0 314.202 2.455 10 0 DEAERO O[C@@H](CNc1cc(Cl)nc(C2CC2)n1)C[NH+]1CCCCC1 ZINC000157819553 197217297 /nfs/dbraw/zinc/21/72/97/197217297.db2.gz QULNUMSVIBNDAR-LBPRGKRZSA-N 1 0 310.829 2.266 10 0 DEAERO C[C@@H]1CN([C@H](C[NH3+])c2cc3c(c(Cl)c2)OCO3)C[C@H](C)O1 ZINC000157766721 197214019 /nfs/dbraw/zinc/21/40/19/197214019.db2.gz GAGDMKVSSLIADW-GBIKHYSHSA-N 1 0 312.797 2.178 10 0 DEAERO CC(C)([NH3+])c1cn(Cc2cccc(F)c2Br)nn1 ZINC000157570953 197198817 /nfs/dbraw/zinc/19/88/17/197198817.db2.gz KMSMDRNOJQCKCL-UHFFFAOYSA-N 1 0 313.174 2.422 10 0 DEAERO CCc1nn(C)c(C[C@](C)(F)C[C@@H]2COCC[NH2+]2)c1Cl ZINC000157545911 197196199 /nfs/dbraw/zinc/19/61/99/197196199.db2.gz CETXVUHYOSOKHD-QMTHXVAHSA-N 1 0 303.809 2.285 10 0 DEAERO CS(=O)(=O)c1ccc(N[C@@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000157305122 197178382 /nfs/dbraw/zinc/17/83/82/197178382.db2.gz MMLBPOQZNMNTJK-UONOGXRCSA-N 1 0 303.387 2.042 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(OC)c(F)c1)[C@H](C)S(C)(=O)=O ZINC000157284008 197176589 /nfs/dbraw/zinc/17/65/89/197176589.db2.gz GVYJRDSVVTZKHW-FZMZJTMJSA-N 1 0 317.426 2.178 10 0 DEAERO C[C@]1(CNC(=O)c2c[nH+]c(NN)c(Cl)c2)CCCS1 ZINC000157175566 197167341 /nfs/dbraw/zinc/16/73/41/197167341.db2.gz PQRWNCLOZPZFGQ-GFCCVEGCSA-N 1 0 300.815 2.036 10 0 DEAERO CSC(C)(C)CNS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000156874330 197146765 /nfs/dbraw/zinc/14/67/65/197146765.db2.gz WZPFZHVVSGCUPG-SNVBAGLBSA-N 1 0 302.465 2.126 10 0 DEAERO COC(=O)c1sccc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156731748 197136841 /nfs/dbraw/zinc/13/68/41/197136841.db2.gz CNDRHJQOXOEJFL-UHFFFAOYSA-N 1 0 302.355 2.390 10 0 DEAERO COCCN[C@@]1(c2nc3c(s2)CCC3)CC[N@H+](C)[C@@H](C)C1 ZINC000156688845 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C[C@H]1C[C@H](Nc2ccc(F)c(NS(C)(=O)=O)c2)CC[N@@H+]1C ZINC000155962942 197077224 /nfs/dbraw/zinc/07/72/24/197077224.db2.gz YBCBYQRJWONPDP-CMPLNLGQSA-N 1 0 315.414 2.092 10 0 DEAERO COc1ccccc1/C=C/C[N@H+](CCO)C1CCN(C)CC1 ZINC000155511956 197061678 /nfs/dbraw/zinc/06/16/78/197061678.db2.gz CKDXYRZZPDTLSE-FNORWQNLSA-N 1 0 304.434 2.097 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCSc2ccccn2)[C@@H](C)C1 ZINC000155630623 197073617 /nfs/dbraw/zinc/07/36/17/197073617.db2.gz GGVNCEXGLKUSOY-KBPBESRZSA-N 1 0 307.463 2.409 10 0 DEAERO Cc1cc2c(n1C[C@@H]1CCCS1(=O)=O)CC(C)(C)C[C@@H]2[NH3+] ZINC000155462201 197056421 /nfs/dbraw/zinc/05/64/21/197056421.db2.gz LZSFBWXJKOHVTO-JSGCOSHPSA-N 1 0 310.463 2.346 10 0 DEAERO COc1cccc(CCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155397825 197051776 /nfs/dbraw/zinc/05/17/76/197051776.db2.gz COIXCICPAGYJRA-YOEHRIQHSA-N 1 0 304.434 2.473 10 0 DEAERO Cc1c(F)cccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120521729 195182970 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Cn1cc(CN2CC[C@H]3C[N@H+](Cc4ccsc4)C[C@H]3C2)cn1 ZINC000248160493 257106985 /nfs/dbraw/zinc/10/69/85/257106985.db2.gz XIZXAZKUEWJHDS-DLBZAZTESA-N 1 0 316.474 2.436 10 0 DEAERO Cc1nnc([C@@H]2C[C@@H]3OCC[C@@H]3[N@H+](Cc3c(C)noc3C)C2)o1 ZINC000248003405 257111662 /nfs/dbraw/zinc/11/16/62/257111662.db2.gz GHESEGMOQWLPFT-SNPRPXQTSA-N 1 0 318.377 2.130 10 0 DEAERO O=C(COC[C@]12CCC[C@H]1C[N@@H+](C1CCC1)C2)N1CCCC1 ZINC000247738219 257118547 /nfs/dbraw/zinc/11/85/47/257118547.db2.gz MDOZFYGUDJINJR-MAUKXSAKSA-N 1 0 306.450 2.280 10 0 DEAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CC[C@@H]1CCOC1 ZINC000544167022 285334220 /nfs/dbraw/zinc/33/42/20/285334220.db2.gz YUOFHJHGLQLCPK-GFCCVEGCSA-N 1 0 315.373 2.322 10 0 DEAERO CCC[C@@H]1C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000121022805 195281524 /nfs/dbraw/zinc/28/15/24/195281524.db2.gz HINXMUQONVFYLE-XBVQOTNRSA-N 1 0 323.481 2.242 10 0 DEAERO Cc1nc(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)sc1C ZINC000122397114 195444081 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195926817 /nfs/dbraw/zinc/92/68/17/195926817.db2.gz QOSZLZJEEPLBFE-XLFHBGCDSA-N 1 0 320.252 2.401 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000229607586 132552162 /nfs/dbraw/zinc/55/21/62/132552162.db2.gz HHBMDMRRSXSPBF-BXKDBHETSA-N 1 0 304.362 2.235 10 0 DEAERO c1cnc2c(c1)CCC[C@@H]2NCc1ccncc1O[C@H]1CC[NH2+]C1 ZINC000685943464 542768545 /nfs/dbraw/zinc/76/85/45/542768545.db2.gz XEVLXNRGAJMTGW-IRXDYDNUSA-N 1 0 324.428 2.385 10 0 DEAERO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242732 542770059 /nfs/dbraw/zinc/77/00/59/542770059.db2.gz NYPJEEIYIPBFDI-CXAGYDPISA-N 1 0 322.453 2.330 10 0 DEAERO C[C@H](Cc1ccccc1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000357685810 133093747 /nfs/dbraw/zinc/09/37/47/133093747.db2.gz HNEIPSVDXKNOKC-MRXNPFEDSA-N 1 0 317.477 2.007 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)nn(C)c2C)C[C@H]1C ZINC000357814860 133102071 /nfs/dbraw/zinc/10/20/71/133102071.db2.gz CYCYMCMILPLMKN-BXUZGUMPSA-N 1 0 307.442 2.373 10 0 DEAERO CCOCCOC[C@H](O)C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000357862714 133105939 /nfs/dbraw/zinc/10/59/39/133105939.db2.gz YFPUZRNDRYUJEF-RCCFBDPRSA-N 1 0 307.434 2.326 10 0 DEAERO O=C(CC[NH+]1C[C@H]2CCCC[C@@H]2C1)NCC(=O)c1ccccc1 ZINC000358042795 133117283 /nfs/dbraw/zinc/11/72/83/133117283.db2.gz CTJKVSBRRJPIDD-IAGOWNOFSA-N 1 0 314.429 2.498 10 0 DEAERO Cc1cccc(OCCNC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000358136737 133123661 /nfs/dbraw/zinc/12/36/61/133123661.db2.gz LUALTMNFRDXERF-UHFFFAOYSA-N 1 0 317.433 2.325 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)CC1 ZINC000358200429 133127826 /nfs/dbraw/zinc/12/78/26/133127826.db2.gz ZZTDBNFUERSRMD-IAGOWNOFSA-N 1 0 322.497 2.201 10 0 DEAERO C[C@H](C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)[NH+]1CCCCCC1 ZINC000358228828 133129757 /nfs/dbraw/zinc/12/97/57/133129757.db2.gz SZPPYKBPZFRRNA-QAPCUYQASA-N 1 0 324.465 2.047 10 0 DEAERO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000359600518 133133857 /nfs/dbraw/zinc/13/38/57/133133857.db2.gz RBIBGGYAQFXIMY-WBVHZDCISA-N 1 0 303.402 2.477 10 0 DEAERO CCS[C@H]1CCC[C@@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000361917007 133199509 /nfs/dbraw/zinc/19/95/09/133199509.db2.gz VRDDUNRYDZYBRD-CABCVRRESA-N 1 0 322.478 2.279 10 0 DEAERO Cc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)COC2CCOCC2)o1 ZINC000368549488 133277768 /nfs/dbraw/zinc/27/77/68/133277768.db2.gz QCRYAFWYURYLBX-GOEBONIOSA-N 1 0 309.406 2.281 10 0 DEAERO Nc1ncnc(N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c1Cl ZINC000376262529 133289086 /nfs/dbraw/zinc/28/90/86/133289086.db2.gz RORAXAKJRPQZKZ-OLZOCXBDSA-N 1 0 318.808 2.315 10 0 DEAERO OCC1(CN2CCn3c(cc4cc(Cl)ccc43)C2)COC1 ZINC000564625708 292101712 /nfs/dbraw/zinc/10/17/12/292101712.db2.gz PAITWQFLIJMOLQ-UHFFFAOYSA-N 1 0 306.793 2.119 10 0 DEAERO c1cc(N2CCCC2)ncc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564973463 292123962 /nfs/dbraw/zinc/12/39/62/292123962.db2.gz GSAHWVJWDOYIJA-SFHVURJKSA-N 1 0 300.450 2.257 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NCc2ccc(O)c(F)c2)CC1 ZINC000125449012 144721934 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O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188641028 145014884 /nfs/dbraw/zinc/01/48/84/145014884.db2.gz HWZFQGNEDMVQOA-GXTWGEPZSA-N 1 0 322.771 2.223 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3CC[NH+]4CCC3CC4)cc2)c1 ZINC000188664050 145015811 /nfs/dbraw/zinc/01/58/11/145015811.db2.gz VCYPZDUFLZIGJA-UHFFFAOYSA-N 1 0 310.401 2.101 10 0 DEAERO Cc1c2ccccc2[nH]c(=O)c1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188843974 145018525 /nfs/dbraw/zinc/01/85/25/145018525.db2.gz CZVRMOVEQACGAE-UHFFFAOYSA-N 1 0 311.385 2.169 10 0 DEAERO Cc1nc(CC(C)C)oc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000190432080 145042207 /nfs/dbraw/zinc/04/22/07/145042207.db2.gz ZAMSLIFZOLXTHI-UHFFFAOYSA-N 1 0 323.437 2.022 10 0 DEAERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000190507455 145043741 /nfs/dbraw/zinc/04/37/41/145043741.db2.gz WGVMDPWNBZKJSV-CQSZACIVSA-N 1 0 302.434 2.474 10 0 DEAERO CCc1nnc(C2CC[NH+](Cc3ccc(CO)cc3)CC2)[nH]1 ZINC000190699439 145046810 /nfs/dbraw/zinc/04/68/10/145046810.db2.gz 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/nfs/dbraw/zinc/21/09/91/145210991.db2.gz DPPDWMNUNYILBJ-SWLSCSKDSA-N 1 0 321.490 2.081 10 0 DEAERO C[C@H](C(=O)Nc1cc(F)ccc1F)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261641334 145212961 /nfs/dbraw/zinc/21/29/61/145212961.db2.gz GHOKJJWWJULFQD-QMTHXVAHSA-N 1 0 311.376 2.351 10 0 DEAERO COc1ccccc1[C@@H]1C[NH2+]CCN1CCOCC(F)(F)F ZINC000261647856 145213105 /nfs/dbraw/zinc/21/31/05/145213105.db2.gz GCJAMIISNRVVBE-ZDUSSCGKSA-N 1 0 318.339 2.220 10 0 DEAERO COC(=O)C(C)(C)CCN1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000261652190 145213419 /nfs/dbraw/zinc/21/34/19/145213419.db2.gz BBYSCBDUNHEDCK-OAHLLOKOSA-N 1 0 320.433 2.231 10 0 DEAERO COc1cccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1OC ZINC000261676229 145215611 /nfs/dbraw/zinc/21/56/11/145215611.db2.gz JNOFFZVYRXKCPE-MRXNPFEDSA-N 1 0 313.401 2.245 10 0 DEAERO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261683246 145216273 /nfs/dbraw/zinc/21/62/73/145216273.db2.gz KECYRJIYZYISAD-BFYDXBDKSA-N 1 0 317.477 2.354 10 0 DEAERO COc1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1OC ZINC000261728437 145220379 /nfs/dbraw/zinc/22/03/79/145220379.db2.gz NZCGCFLANIPUBF-INIZCTEOSA-N 1 0 313.401 2.245 10 0 DEAERO C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[C@H]1c1ccccc1 ZINC000261762037 145223147 /nfs/dbraw/zinc/22/31/47/145223147.db2.gz LUGUTOBYTDINEZ-OLMNPRSZSA-N 1 0 316.445 2.393 10 0 DEAERO COc1ccccc1C1(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261775212 145224842 /nfs/dbraw/zinc/22/48/42/145224842.db2.gz GZYORUJCFMEZGE-OAHLLOKOSA-N 1 0 302.418 2.313 10 0 DEAERO Cc1cccc(NC(=O)NCc2nc(C3([NH3+])CCC3)no2)c1 ZINC000261785490 145225788 /nfs/dbraw/zinc/22/57/88/145225788.db2.gz OBBNAVMNYKWDNC-UHFFFAOYSA-N 1 0 301.350 2.038 10 0 DEAERO C[NH2+][C@@H](C)CNC(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000261811485 145228808 /nfs/dbraw/zinc/22/88/08/145228808.db2.gz SUFTZSKQWPRINO-JTQLQIEISA-N 1 0 306.797 2.172 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)Cn1cc2ccccc2n1 ZINC000261824960 145231544 /nfs/dbraw/zinc/23/15/44/145231544.db2.gz YIERHFABYFSEHW-UHFFFAOYSA-N 1 0 322.412 2.066 10 0 DEAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000261838329 145232474 /nfs/dbraw/zinc/23/24/74/145232474.db2.gz KNRFFCXYBXCHDW-ULSRQLJBSA-N 1 0 300.761 2.163 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)sc1C ZINC000261868448 145235777 /nfs/dbraw/zinc/23/57/77/145235777.db2.gz STTAEFLIHYRQQJ-NSHDSACASA-N 1 0 302.465 2.113 10 0 DEAERO COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261896908 145238761 /nfs/dbraw/zinc/23/87/61/145238761.db2.gz DEWDMSRWIOXKTE-ILXRZTDVSA-N 1 0 322.449 2.004 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CN1CCc2ccccc21 ZINC000261892622 145238942 /nfs/dbraw/zinc/23/89/42/145238942.db2.gz QUGOYFKVBDUZMG-JOUKPKRSSA-N 1 0 313.445 2.071 10 0 DEAERO [NH3+][C@@H](C(=O)Nc1ccc(OCC(F)F)cc1)C1CCOCC1 ZINC000261901793 145239785 /nfs/dbraw/zinc/23/97/85/145239785.db2.gz WNCUMUIUTLCRPJ-CQSZACIVSA-N 1 0 314.332 2.023 10 0 DEAERO CCOC(=O)CN(Cc1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261906106 145240467 /nfs/dbraw/zinc/24/04/67/145240467.db2.gz XDEJTPIYZBFPQB-KRWDZBQOSA-N 1 0 308.397 2.190 10 0 DEAERO O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000261925032 145242410 /nfs/dbraw/zinc/24/24/10/145242410.db2.gz YCLLKGDDVGZDQK-HIFRSBDPSA-N 1 0 316.401 2.469 10 0 DEAERO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1F ZINC000261926937 145242457 /nfs/dbraw/zinc/24/24/57/145242457.db2.gz LFHALFCLUMGEMT-UAGQMJEPSA-N 1 0 322.424 2.471 10 0 DEAERO COc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c(C)c1 ZINC000261937585 145244016 /nfs/dbraw/zinc/24/40/16/145244016.db2.gz UGIYWJVFPSREHD-QIIPPGSGSA-N 1 0 318.417 2.475 10 0 DEAERO C[C@@]1(C[NH3+])CCN(C(=O)c2ccccc2OC[C@H]2CCCO2)C1 ZINC000261932527 145244063 /nfs/dbraw/zinc/24/40/63/145244063.db2.gz ITHNGIKPFWRZFP-KDOFPFPSSA-N 1 0 318.417 2.055 10 0 DEAERO C[NH2+]C[C@@H]1CCCN(Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261939244 145245010 /nfs/dbraw/zinc/24/50/10/145245010.db2.gz MLIVHLQRJHCHBJ-ZDUSSCGKSA-N 1 0 305.447 2.031 10 0 DEAERO C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000261946347 145245381 /nfs/dbraw/zinc/24/53/81/145245381.db2.gz VRBRUMDLCUIXGC-PSFFPDNBSA-N 1 0 316.445 2.439 10 0 DEAERO C[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)N1CCc2ccccc2C1 ZINC000261950574 145246085 /nfs/dbraw/zinc/24/60/85/145246085.db2.gz KBBGABZAELYDTP-YOEHRIQHSA-N 1 0 315.461 2.019 10 0 DEAERO [NH3+]C1(C(=O)Nc2ncc(Cc3ccccc3)s2)CCOCC1 ZINC000261951243 145246111 /nfs/dbraw/zinc/24/61/11/145246111.db2.gz YZGPVAYMVPLHNS-UHFFFAOYSA-N 1 0 317.414 2.180 10 0 DEAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000261956874 145246798 /nfs/dbraw/zinc/24/67/98/145246798.db2.gz XGHNSJOOGATVOT-IUODEOHRSA-N 1 0 315.417 2.425 10 0 DEAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000261956875 145246817 /nfs/dbraw/zinc/24/68/17/145246817.db2.gz XGHNSJOOGATVOT-SWLSCSKDSA-N 1 0 315.417 2.425 10 0 DEAERO CCN(C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000261977220 145249397 /nfs/dbraw/zinc/24/93/97/145249397.db2.gz QVNJTUARSQSDTA-FKEKPDDDSA-N 1 0 301.434 2.254 10 0 DEAERO [NH3+]CC1(C(=O)NCc2csc3ccccc23)CCOCC1 ZINC000261987336 145249973 /nfs/dbraw/zinc/24/99/73/145249973.db2.gz SIUMMKAHWXDGET-UHFFFAOYSA-N 1 0 304.415 2.273 10 0 DEAERO COC(=O)c1nc([C@H]2CCCN2C[C@]2(C)CC[NH2+]C2)sc1C ZINC000261989302 145251180 /nfs/dbraw/zinc/25/11/80/145251180.db2.gz KCUFZGUCCKJNMC-MLGOLLRUSA-N 1 0 323.462 2.375 10 0 DEAERO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)c1ccsc1 ZINC000262036131 145255333 /nfs/dbraw/zinc/25/53/33/145255333.db2.gz XZXPRSJQZINOFN-VVLHAWIVSA-N 1 0 323.506 2.098 10 0 DEAERO CC(=O)N[C@H](C)C1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000262038180 145255990 /nfs/dbraw/zinc/25/59/90/145255990.db2.gz XXYDDVDAQCAWIS-CYBMUJFWSA-N 1 0 301.434 2.391 10 0 DEAERO C[C@@H](c1cccs1)N(C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262047271 145257209 /nfs/dbraw/zinc/25/72/09/145257209.db2.gz ZGOWZPXMFJEROJ-YUTCNCBUSA-N 1 0 318.446 2.004 10 0 DEAERO CC(C)C1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000262052651 145257464 /nfs/dbraw/zinc/25/74/64/145257464.db2.gz ZTZFIBBVCSFNRU-BNICSPFPSA-N 1 0 318.465 2.054 10 0 DEAERO CCc1ccc([C@@H]2C[NH2+]CCN2CC(=O)Nc2ccncc2)cc1 ZINC000262164325 145266620 /nfs/dbraw/zinc/26/66/20/145266620.db2.gz HFJLDZAGLAXZIU-SFHVURJKSA-N 1 0 324.428 2.229 10 0 DEAERO C[C@@H]1CCC[C@H](CCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262281452 145273875 /nfs/dbraw/zinc/27/38/75/145273875.db2.gz NYWODAJYNSXIBQ-HZPDHXFCSA-N 1 0 318.465 2.294 10 0 DEAERO C[C@H](Cc1cccs1)NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262398940 145281629 /nfs/dbraw/zinc/28/16/29/145281629.db2.gz CDPBLEOHFMRECV-ABYLEIOUSA-N 1 0 322.474 2.328 10 0 DEAERO Cc1ccc(O)c(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000262425973 145283331 /nfs/dbraw/zinc/28/33/31/145283331.db2.gz FKGQVQCCVOYFQP-FABXCBLPSA-N 1 0 304.390 2.172 10 0 DEAERO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000262429949 145283489 /nfs/dbraw/zinc/28/34/89/145283489.db2.gz DTFHLMWLYVSGRI-SECBINFHSA-N 1 0 308.806 2.064 10 0 DEAERO CN(C)C(=O)c1cccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000262448637 145284221 /nfs/dbraw/zinc/28/42/21/145284221.db2.gz HOBCSARVVGYFBD-AWEZNQCLSA-N 1 0 303.406 2.105 10 0 DEAERO Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000262489135 145287485 /nfs/dbraw/zinc/28/74/85/145287485.db2.gz ZDOHNHBIVBNADZ-GJZGRUSLSA-N 1 0 317.433 2.055 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000262503529 145288286 /nfs/dbraw/zinc/28/82/86/145288286.db2.gz FIKWDVIIWZYZCK-YJBUHQLJSA-N 1 0 306.356 2.468 10 0 DEAERO CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1C ZINC000262511953 145288956 /nfs/dbraw/zinc/28/89/56/145288956.db2.gz NBAIVYYSGDESLB-KCXAZCMYSA-N 1 0 315.417 2.214 10 0 DEAERO COc1cc(-c2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)ncn1 ZINC000262516603 145290089 /nfs/dbraw/zinc/29/00/89/145290089.db2.gz NPWRDKKULXRKJY-UMNHJUIQSA-N 1 0 301.350 2.128 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262531747 145290808 /nfs/dbraw/zinc/29/08/08/145290808.db2.gz MCDFVTANGSQHMP-HHXXYDBFSA-N 1 0 316.445 2.488 10 0 DEAERO C[C@H](c1ccccc1)N(C)C(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000262538377 145291486 /nfs/dbraw/zinc/29/14/86/145291486.db2.gz QSFZRPKOGARIBB-BFYDXBDKSA-N 1 0 303.450 2.265 10 0 DEAERO Cc1ccccc1CN(C)C(=O)CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000262577574 145295086 /nfs/dbraw/zinc/29/50/86/145295086.db2.gz YLIFCQRSRYAPDA-YOEHRIQHSA-N 1 0 303.450 2.013 10 0 DEAERO COc1cccc(CNC2=[NH+]CCCN2)c1OC1CCCC1 ZINC000262577504 145295117 /nfs/dbraw/zinc/29/51/17/145295117.db2.gz PATJXEJXWWEXJQ-UHFFFAOYSA-N 1 0 303.406 2.456 10 0 DEAERO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000262585648 145295523 /nfs/dbraw/zinc/29/55/23/145295523.db2.gz OIVOKLNYAHIFKB-LBPRGKRZSA-N 1 0 318.808 2.255 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])nc21 ZINC000262618108 145296824 /nfs/dbraw/zinc/29/68/24/145296824.db2.gz IDOWCHIDMMFRNU-KGLIPLIRSA-N 1 0 314.433 2.438 10 0 DEAERO Cc1ccc(CNC2=[NH+]CCCN2)c(OCC(F)(F)F)c1 ZINC000262747652 145303293 /nfs/dbraw/zinc/30/32/93/145303293.db2.gz ATGKBYUBTVCFDG-UHFFFAOYSA-N 1 0 301.312 2.375 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000262796134 145305594 /nfs/dbraw/zinc/30/55/94/145305594.db2.gz NKUYLFIJTHEDKT-BBRMVZONSA-N 1 0 304.434 2.477 10 0 DEAERO CC(C)[C@@H](c1nc([C@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263174533 145333067 /nfs/dbraw/zinc/33/30/67/145333067.db2.gz GCAAGDWKVIPXJX-HUUCEWRRSA-N 1 0 300.406 2.434 10 0 DEAERO C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC([C@H](C)O)CC1 ZINC000304048526 145340077 /nfs/dbraw/zinc/34/00/77/145340077.db2.gz KDQMXHOSTMHTEN-WVCIDPQESA-N 1 0 310.482 2.409 10 0 DEAERO COCC[C@@H](COC)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000309699741 145351161 /nfs/dbraw/zinc/35/11/61/145351161.db2.gz ABRSJNIDOAKXAR-KRWDZBQOSA-N 1 0 303.406 2.073 10 0 DEAERO COCC[C@H](COC)[NH2+]Cc1cc(O)ccc1Br ZINC000315011370 145358648 /nfs/dbraw/zinc/35/86/48/145358648.db2.gz JQPHGHQDOWETMO-LLVKDONJSA-N 1 0 318.211 2.296 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCCC[C@@H]2c2cc[nH]n2)C1 ZINC000332832972 145389822 /nfs/dbraw/zinc/38/98/22/145389822.db2.gz BIZFMIKVXIJETA-FVQBIDKESA-N 1 0 319.453 2.375 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CC[C@H]2CCOC2)c2ccccc2C1 ZINC000346862502 146155364 /nfs/dbraw/zinc/15/53/64/146155364.db2.gz DQASLDOBWXKRBN-YJBOKZPZSA-N 1 0 302.418 2.496 10 0 DEAERO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC000358457972 147137845 /nfs/dbraw/zinc/13/78/45/147137845.db2.gz SPXIYCMIQSJZAU-DLBZAZTESA-N 1 0 317.477 2.007 10 0 DEAERO C[C@@H]1C[N@@H+](Cc2ccc(-c3nc(N(C)C)no3)cc2)C[C@H](C)O1 ZINC000358580130 147159211 /nfs/dbraw/zinc/15/92/11/147159211.db2.gz PUXLSOCRCWAUEZ-BETUJISGSA-N 1 0 316.405 2.412 10 0 DEAERO C[C@H]1CCCC[C@@H]1CCNC(=O)NCCNc1cc[nH+]cc1 ZINC000358626534 147168431 /nfs/dbraw/zinc/16/84/31/147168431.db2.gz IILGQIDEYYGOQA-LSDHHAIUSA-N 1 0 304.438 2.431 10 0 DEAERO C[C@@H]1CN(C(=O)c2cn(C)c3ccc(F)cc23)C[C@@H](C)[NH+]1C ZINC000358722239 147190289 /nfs/dbraw/zinc/19/02/89/147190289.db2.gz YIWCMXGOMJMCMA-VXGBXAGGSA-N 1 0 303.381 2.482 10 0 DEAERO CCCCn1cc(CNC(=O)[C@H]2CCC[N@@H+]2CCC)c(C)n1 ZINC000358723514 147190765 /nfs/dbraw/zinc/19/07/65/147190765.db2.gz WEACNRUDCPWRGM-MRXNPFEDSA-N 1 0 306.454 2.482 10 0 DEAERO COC(=O)[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)C1CC1 ZINC000358810516 147210758 /nfs/dbraw/zinc/21/07/58/147210758.db2.gz FZVCWNRIDFRULD-IAGOWNOFSA-N 1 0 302.418 2.365 10 0 DEAERO COC(=O)[C@@H](Nc1cccc(C[NH+]2CCC(O)CC2)c1)C1CC1 ZINC000358826779 147214102 /nfs/dbraw/zinc/21/41/02/147214102.db2.gz YCYWWFOFQFAJFP-KRWDZBQOSA-N 1 0 318.417 2.007 10 0 DEAERO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360716487 147373100 /nfs/dbraw/zinc/37/31/00/147373100.db2.gz WQWWDZQVXMIESI-UHFFFAOYSA-N 1 0 317.437 2.436 10 0 DEAERO Brc1cnn(CCC[NH2+][C@@H]2CCCc3n[nH]cc32)c1 ZINC000367476105 147760941 /nfs/dbraw/zinc/76/09/41/147760941.db2.gz UAXBIWZRJNOIJJ-GFCCVEGCSA-N 1 0 324.226 2.426 10 0 DEAERO CC(C)Cn1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cn1 ZINC000374687618 148278551 /nfs/dbraw/zinc/27/85/51/148278551.db2.gz OTTGQLHHFRQSMA-SJORKVTESA-N 1 0 321.465 2.196 10 0 DEAERO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)C2CCC2)cc1 ZINC000112256279 401734428 /nfs/dbraw/zinc/73/44/28/401734428.db2.gz WVKOEQPNPLLKOC-UHFFFAOYSA-N 1 0 315.417 2.251 10 0 DEAERO CCOc1ccccc1CCC(=O)NCC1CC[NH+](C)CC1 ZINC000127428074 401734590 /nfs/dbraw/zinc/73/45/90/401734590.db2.gz UBNILRPBPPJBOJ-UHFFFAOYSA-N 1 0 304.434 2.476 10 0 DEAERO Cc1ccc([C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CCO2)o1 ZINC000127521350 401738199 /nfs/dbraw/zinc/73/81/99/401738199.db2.gz UCSRMKKWNBGZRC-MRXNPFEDSA-N 1 0 306.406 2.220 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3nc[nH]c32)CC[N@@H+]1C ZINC000127634877 401743377 /nfs/dbraw/zinc/74/33/77/401743377.db2.gz NYMRPTFDUUZBKS-JQWIXIFHSA-N 1 0 304.369 2.257 10 0 DEAERO C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C(C)(C)C ZINC000112462185 401746300 /nfs/dbraw/zinc/74/63/00/401746300.db2.gz FZGYIIPJWPIYFO-CQSZACIVSA-N 1 0 312.502 2.088 10 0 DEAERO CCc1cc(C)c(C(=O)NCC2CC[NH+](CCN(C)C)CC2)o1 ZINC000126343560 401689802 /nfs/dbraw/zinc/68/98/02/401689802.db2.gz PLEMLNFWYFQARD-UHFFFAOYSA-N 1 0 321.465 2.154 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cncc(Br)c2)C1 ZINC000126417548 401693167 /nfs/dbraw/zinc/69/31/67/401693167.db2.gz YRJKSRIMVXBURZ-NSHDSACASA-N 1 0 313.199 2.012 10 0 DEAERO O=C(NC[C@H]1CCCO1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000000317509 401694672 /nfs/dbraw/zinc/69/46/72/401694672.db2.gz ZBOIXGYNLAYVOG-NVXWUHKLSA-N 1 0 306.450 2.350 10 0 DEAERO Cc1ccc(N2CCC[N@H+](Cc3ccc4c(c3)CCO4)CC2)nn1 ZINC000111227229 401702390 /nfs/dbraw/zinc/70/23/90/401702390.db2.gz BHXITNYVOHQZJK-UHFFFAOYSA-N 1 0 324.428 2.432 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000126673243 401703845 /nfs/dbraw/zinc/70/38/45/401703845.db2.gz JBROTAPHLLFFGL-SJORKVTESA-N 1 0 314.433 2.200 10 0 DEAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)cc1F ZINC000126711370 401705571 /nfs/dbraw/zinc/70/55/71/401705571.db2.gz IMUIMUJMKWORCP-NWDGAFQWSA-N 1 0 309.385 2.407 10 0 DEAERO COc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2cccc(F)c2)cc1 ZINC000008031265 401747694 /nfs/dbraw/zinc/74/76/94/401747694.db2.gz IENSGVQQWIQONG-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO COC(=O)COc1c(C)cc(CN2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000127049660 401718634 /nfs/dbraw/zinc/71/86/34/401718634.db2.gz FIFBSQUMOQWAKW-GJZGRUSLSA-N 1 0 321.417 2.464 10 0 DEAERO Cc1csc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)n1 ZINC000129106300 401798754 /nfs/dbraw/zinc/79/87/54/401798754.db2.gz WPIXXQCZULNZCP-OLZOCXBDSA-N 1 0 319.434 2.360 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2ccc(F)cc2)CC1 ZINC000114453838 401799635 /nfs/dbraw/zinc/79/96/35/401799635.db2.gz MCJLAMUMQXKNBD-UHFFFAOYSA-N 1 0 321.440 2.247 10 0 DEAERO CCCc1nc(CN2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)cs1 ZINC000114719647 401807353 /nfs/dbraw/zinc/80/73/53/401807353.db2.gz AZXVQWQUSHESHW-UKRRQHHQSA-N 1 0 311.495 2.373 10 0 DEAERO COc1ccccc1NCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000112881651 401760807 /nfs/dbraw/zinc/76/08/07/401760807.db2.gz CUVBJBRENNLXSS-CQSZACIVSA-N 1 0 307.438 2.200 10 0 DEAERO CC(C)OC(=O)CC[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000075677613 401766123 /nfs/dbraw/zinc/76/61/23/401766123.db2.gz HAJUTTGMOITTHH-AWEZNQCLSA-N 1 0 312.454 2.201 10 0 DEAERO CC(C)[N@H+](CCc1nc2ccccc2c(=O)[nH]1)C1CCOCC1 ZINC000077322706 401810100 /nfs/dbraw/zinc/81/01/00/401810100.db2.gz PQGBGQAOJHLOCJ-UHFFFAOYSA-N 1 0 315.417 2.355 10 0 DEAERO Cc1csc(=O)n1CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128312042 401771367 /nfs/dbraw/zinc/77/13/67/401771367.db2.gz MKUCQPABUMXXPU-ZIAGYGMSSA-N 1 0 306.435 2.188 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1cccc(F)c1 ZINC000113268638 401773918 /nfs/dbraw/zinc/77/39/18/401773918.db2.gz VTGJUNWJSDEOIP-XJKSGUPXSA-N 1 0 305.397 2.323 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCOc1ccc2c(c1)OCO2 ZINC000113268554 401773934 /nfs/dbraw/zinc/77/39/34/401773934.db2.gz NUOVKXRKIDVQOK-LSDHHAIUSA-N 1 0 318.417 2.353 10 0 DEAERO Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128488997 401779029 /nfs/dbraw/zinc/77/90/29/401779029.db2.gz VBQLCUOEDNJNII-MJGOQNOKSA-N 1 0 316.445 2.238 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C)n2)[C@H](C)C1 ZINC000128531338 401781200 /nfs/dbraw/zinc/78/12/00/401781200.db2.gz YIMOGIFGWIEIOP-CJNGLKHVSA-N 1 0 304.438 2.262 10 0 DEAERO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000128542289 401782118 /nfs/dbraw/zinc/78/21/18/401782118.db2.gz BZLBBMNOWLRBPN-KYHPRHEASA-N 1 0 308.466 2.118 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1c(C)noc1C1CC1 ZINC000129889663 401810787 /nfs/dbraw/zinc/81/07/87/401810787.db2.gz GEPCQAKMOGKXIK-CYBMUJFWSA-N 1 0 322.409 2.093 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccccc2F)[C@H](C)C1 ZINC000076483833 401796453 /nfs/dbraw/zinc/79/64/53/401796453.db2.gz PHSZEAFBMQDXFV-HIFRSBDPSA-N 1 0 308.397 2.393 10 0 DEAERO CC[NH+]1CCN([C@@H](C)CNC(=O)C(C)(C)c2cccs2)CC1 ZINC000115383627 401825958 /nfs/dbraw/zinc/82/59/58/401825958.db2.gz WPVMUOFUNJHURZ-AWEZNQCLSA-N 1 0 323.506 2.168 10 0 DEAERO Cc1ccc(CC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000115415457 401826942 /nfs/dbraw/zinc/82/69/42/401826942.db2.gz KTRKGRYZPMSMOS-UHFFFAOYSA-N 1 0 315.392 2.450 10 0 DEAERO C[C@@H]1Cc2ccccc2N1C(=O)NCCCC[NH+]1CCOCC1 ZINC000077762595 401829726 /nfs/dbraw/zinc/82/97/26/401829726.db2.gz XEBMHVOOZOMQML-OAHLLOKOSA-N 1 0 317.433 2.260 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2)C1 ZINC000115837865 401838332 /nfs/dbraw/zinc/83/83/32/401838332.db2.gz UBXUSRFVGBSYLM-RDJZCZTQSA-N 1 0 316.449 2.001 10 0 DEAERO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116323335 401850231 /nfs/dbraw/zinc/85/02/31/401850231.db2.gz RUKZCUHKVFMLKP-HOCLYGCPSA-N 1 0 304.438 2.001 10 0 DEAERO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116322287 401850259 /nfs/dbraw/zinc/85/02/59/401850259.db2.gz VWPQFLKRWKLFQS-HOCLYGCPSA-N 1 0 324.428 2.187 10 0 DEAERO Cc1ccc(CCC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000131552760 401852369 /nfs/dbraw/zinc/85/23/69/401852369.db2.gz CMEADTHIKJGPMC-SFHVURJKSA-N 1 0 318.461 2.281 10 0 DEAERO Cc1ccc(CCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000116555976 401854794 /nfs/dbraw/zinc/85/47/94/401854794.db2.gz OIFYBVXNRSSANX-DOTOQJQBSA-N 1 0 301.434 2.416 10 0 DEAERO Cc1[nH]c2c(cccc2C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1C ZINC000116793551 401859168 /nfs/dbraw/zinc/85/91/68/401859168.db2.gz HLSSPXYHEJRPNS-AWEZNQCLSA-N 1 0 315.417 2.187 10 0 DEAERO O=C(C[NH+]1CCC(CN2CCc3ccccc32)CC1)NC1CC1 ZINC000078643365 401859693 /nfs/dbraw/zinc/85/96/93/401859693.db2.gz KNKQLFGGHYDLNW-UHFFFAOYSA-N 1 0 313.445 2.040 10 0 DEAERO C[C@@H](C(=O)N1CCC(Cn2cccn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000131961722 401860231 /nfs/dbraw/zinc/86/02/31/401860231.db2.gz NVFPWTRHOYJCFV-OAGGEKHMSA-N 1 0 318.465 2.383 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)NC2CCCCC2)C[C@@H]1CC ZINC000117021889 401867183 /nfs/dbraw/zinc/86/71/83/401867183.db2.gz OWAXQTUWZDXJLP-INIZCTEOSA-N 1 0 311.470 2.461 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCn2ccnc2)C1 ZINC000129938472 401812497 /nfs/dbraw/zinc/81/24/97/401812497.db2.gz MLJWVIOIXWHCGP-CQSZACIVSA-N 1 0 308.426 2.120 10 0 DEAERO CN(C(=O)CC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)c1ccccc1 ZINC000135130372 401927861 /nfs/dbraw/zinc/92/78/61/401927861.db2.gz HQDLRGZEGHMKTG-AWEZNQCLSA-N 1 0 316.323 2.039 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CCC[NH2+]1 ZINC000079513204 401875315 /nfs/dbraw/zinc/87/53/15/401875315.db2.gz RDAIWTWQHNRFPV-GFCCVEGCSA-N 1 0 303.284 2.103 10 0 DEAERO CC[C@@H]1CN(C(=O)NCc2cccc(C)c2)CC[N@@H+]1CCOC ZINC000117475505 401877817 /nfs/dbraw/zinc/87/78/17/401877817.db2.gz TYEFWBJFQGJWDD-QGZVFWFLSA-N 1 0 319.449 2.247 10 0 DEAERO C[C@@H](Oc1cccnc1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000117657751 401881446 /nfs/dbraw/zinc/88/14/46/401881446.db2.gz ZJAKWAPNXCOEBL-CVEARBPZSA-N 1 0 317.433 2.326 10 0 DEAERO CC(C)C[C@@H](C)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000133426888 401885792 /nfs/dbraw/zinc/88/57/92/401885792.db2.gz SDGVJPXZZLVXIL-IAGOWNOFSA-N 1 0 324.513 2.233 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CSc2ccccc21 ZINC000118314665 401895364 /nfs/dbraw/zinc/89/53/64/401895364.db2.gz RLJPZLRBLLFXDC-OAHLLOKOSA-N 1 0 320.458 2.105 10 0 DEAERO CCOCC[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000036228617 401903950 /nfs/dbraw/zinc/90/39/50/401903950.db2.gz SPDZLMKYCVEYIY-UHFFFAOYSA-N 1 0 304.184 2.289 10 0 DEAERO CCCOc1ccccc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000118794965 401907833 /nfs/dbraw/zinc/90/78/33/401907833.db2.gz KMLOKUBYBOJEFZ-CQSZACIVSA-N 1 0 321.421 2.270 10 0 DEAERO CSCc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000118817280 401909335 /nfs/dbraw/zinc/90/93/35/401909335.db2.gz OBJIKYGSKOIZIM-OAHLLOKOSA-N 1 0 323.462 2.344 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccccc2OC(C)C)CC1 ZINC000118857285 401912919 /nfs/dbraw/zinc/91/29/19/401912919.db2.gz JLXUFQLGMPEPGH-QGZVFWFLSA-N 1 0 306.450 2.362 10 0 DEAERO CCc1nc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cs1 ZINC000085360945 401914541 /nfs/dbraw/zinc/91/45/41/401914541.db2.gz IMXKNOSPDWYCGI-NSHDSACASA-N 1 0 312.483 2.481 10 0 DEAERO CCNC(=O)CC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134842890 401916812 /nfs/dbraw/zinc/91/68/12/401916812.db2.gz WZUATXUSJIBJSS-OAHLLOKOSA-N 1 0 306.381 2.389 10 0 DEAERO CN(C)c1nc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ns1 ZINC000134895546 401918766 /nfs/dbraw/zinc/91/87/66/401918766.db2.gz MJZPZFFDZCIDJJ-TZMCWYRMSA-N 1 0 321.494 2.053 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)C2CCOCC2)CC1 ZINC000134930059 401920381 /nfs/dbraw/zinc/92/03/81/401920381.db2.gz XSIKMNNBBSDIDU-AWEZNQCLSA-N 1 0 311.470 2.223 10 0 DEAERO CCn1cc(CN2CCCN(C(=O)C[C@H](C)SC)CC2)cn1 ZINC000119059385 401922326 /nfs/dbraw/zinc/92/23/26/401922326.db2.gz YEFXTHPPEFVVFG-AWEZNQCLSA-N 1 0 324.494 2.079 10 0 DEAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000119488852 401953869 /nfs/dbraw/zinc/95/38/69/401953869.db2.gz SEVUWSVEUUVOKI-IHRRRGAJSA-N 1 0 315.421 2.221 10 0 DEAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1 ZINC000089633102 401954797 /nfs/dbraw/zinc/95/47/97/401954797.db2.gz RHTMOVXOFDGJAB-QWHCGFSZSA-N 1 0 321.446 2.264 10 0 DEAERO Fc1cc(F)c(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1F ZINC000136080551 401959505 /nfs/dbraw/zinc/95/95/05/401959505.db2.gz GWOQADZWXDYABC-GFCCVEGCSA-N 1 0 300.324 2.057 10 0 DEAERO C[C@@H]1CC[C@@H](CC(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)C1 ZINC000150823380 401997890 /nfs/dbraw/zinc/99/78/90/401997890.db2.gz FRYQCIMYNAWYRT-KURKYZTESA-N 1 0 321.509 2.441 10 0 DEAERO CCNC(=O)c1ccc(NC(=O)NC[C@H](C)[NH+](CC)CC)cc1 ZINC000046278147 401968287 /nfs/dbraw/zinc/96/82/87/401968287.db2.gz GVMKUGMYMGJPMC-ZDUSSCGKSA-N 1 0 320.437 2.288 10 0 DEAERO Cc1cc(CNC(=O)NCCCC[NH+]2CCOCC2)ccc1F ZINC000048317928 401998351 /nfs/dbraw/zinc/99/83/51/401998351.db2.gz CEOCETXIHVCIMD-UHFFFAOYSA-N 1 0 323.412 2.046 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](CCO)C1CCCCC1 ZINC000136814650 401974121 /nfs/dbraw/zinc/97/41/21/401974121.db2.gz NIDYMUNFRALEGT-HOCLYGCPSA-N 1 0 313.486 2.347 10 0 DEAERO Cn1ccnc1C[C@H]1CCC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000090003974 401977983 /nfs/dbraw/zinc/97/79/83/401977983.db2.gz IFYCTVPOQRXUFY-OAHLLOKOSA-N 1 0 320.481 2.227 10 0 DEAERO Cc1nn(C)c(CN2CCS[C@@H](C)C2)c1Br ZINC000137333029 401982414 /nfs/dbraw/zinc/98/24/14/401982414.db2.gz YMFBZPWWQSQTAL-QMMMGPOBSA-N 1 0 304.257 2.428 10 0 DEAERO COc1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)cn1 ZINC000137455759 401983900 /nfs/dbraw/zinc/98/39/00/401983900.db2.gz WWTZZWURCGZQCD-UHFFFAOYSA-N 1 0 320.437 2.010 10 0 DEAERO CCC[N@@H+](Cc1ccc(C(=O)N(C)C)[nH]1)C[C@H]1CCCCO1 ZINC000093132358 402012246 /nfs/dbraw/zinc/01/22/46/402012246.db2.gz OASYRBCTIRYTHL-OAHLLOKOSA-N 1 0 307.438 2.498 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCOc1cccc(F)c1 ZINC000049132653 402012946 /nfs/dbraw/zinc/01/29/46/402012946.db2.gz GGQHPWUVRKLLGC-CYBMUJFWSA-N 1 0 311.401 2.234 10 0 DEAERO O=C(NCCC1=CCCCC1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000049172387 402013494 /nfs/dbraw/zinc/01/34/94/402013494.db2.gz NLOJRHKTGMCXMN-INIZCTEOSA-N 1 0 309.454 2.023 10 0 DEAERO CCc1oc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1C ZINC000122006863 402058958 /nfs/dbraw/zinc/05/89/58/402058958.db2.gz BVBIHHIFLSZBEI-UHFFFAOYSA-N 1 0 321.465 2.154 10 0 DEAERO CC[C@@H]1CN(CCC(=O)c2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000122003190 402058967 /nfs/dbraw/zinc/05/89/67/402058967.db2.gz SWJCWKXHOVTSPL-RHSMWYFYSA-N 1 0 322.424 2.176 10 0 DEAERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000121103729 402015039 /nfs/dbraw/zinc/01/50/39/402015039.db2.gz XJGWTROBYBEBBG-ZIAGYGMSSA-N 1 0 315.421 2.079 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)C1CCOCC1 ZINC000151220824 402024083 /nfs/dbraw/zinc/02/40/83/402024083.db2.gz YCNANZBWSHZUBR-NUEKZKHPSA-N 1 0 309.454 2.070 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cccc(N2CCCC2=O)c1 ZINC000151225033 402024265 /nfs/dbraw/zinc/02/42/65/402024265.db2.gz ADVKTNCBWOMUPT-MFKMUULPSA-N 1 0 316.323 2.387 10 0 DEAERO COc1ccc2c(c1)[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)CC2 ZINC000151273489 402027615 /nfs/dbraw/zinc/02/76/15/402027615.db2.gz LSWRRADQHHKCFR-QAPCUYQASA-N 1 0 304.434 2.119 10 0 DEAERO C[NH2+]C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000050518197 402028584 /nfs/dbraw/zinc/02/85/84/402028584.db2.gz LONUEFAVTGQFIZ-UHFFFAOYSA-N 1 0 300.324 2.458 10 0 DEAERO CCOc1ccccc1CCC(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000121374541 402032359 /nfs/dbraw/zinc/03/23/59/402032359.db2.gz CCCUDUPOSMQCRO-HNNXBMFYSA-N 1 0 304.434 2.476 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)NCc1cscn1)C1CCCCC1 ZINC000051309704 402033539 /nfs/dbraw/zinc/03/35/39/402033539.db2.gz VJCVMWCEDQICGX-AWEZNQCLSA-N 1 0 310.467 2.453 10 0 DEAERO COC(=O)c1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1F ZINC000151442097 402036714 /nfs/dbraw/zinc/03/67/14/402036714.db2.gz 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/nfs/dbraw/zinc/22/25/73/402222573.db2.gz NXIRWUXBSZAYMP-QGZVFWFLSA-N 1 0 322.412 2.352 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1nccn1C(F)F ZINC000106912188 402222688 /nfs/dbraw/zinc/22/26/88/402222688.db2.gz XDOPKMBTUMGAMN-ZDUSSCGKSA-N 1 0 322.359 2.067 10 0 DEAERO CCC(CC)(CC)CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000154719588 402227653 /nfs/dbraw/zinc/22/76/53/402227653.db2.gz JZNWJDVLBXVMRW-OAHLLOKOSA-N 1 0 313.486 2.349 10 0 DEAERO Cc1noc(C)c1[C@H](C)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000154782957 402231718 /nfs/dbraw/zinc/23/17/18/402231718.db2.gz VMHPWSWIPPTZOB-TYNCELHUSA-N 1 0 305.422 2.480 10 0 DEAERO COCCOc1ccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000125559847 402239051 /nfs/dbraw/zinc/23/90/51/402239051.db2.gz YUAMHXRFLFQEQQ-YJBOKZPZSA-N 1 0 323.433 2.152 10 0 DEAERO CC(C)NC(=O)CCCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107779037 402240466 /nfs/dbraw/zinc/24/04/66/402240466.db2.gz ASWRYPFFCHCPGQ-INIZCTEOSA-N 1 0 323.481 2.158 10 0 DEAERO C[C@@H](Cc1ccccc1Cl)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000155121442 402245617 /nfs/dbraw/zinc/24/56/17/402245617.db2.gz RLAUWPMUZJQNTA-ZFWWWQNUSA-N 1 0 324.852 2.308 10 0 DEAERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(-n2ccnc2)cc1 ZINC000125699212 402245867 /nfs/dbraw/zinc/24/58/67/402245867.db2.gz MKTBMIUBWFTXKM-MAUKXSAKSA-N 1 0 315.417 2.312 10 0 DEAERO O=C(CCC1CC[NH2+]CC1)N1CCO[C@H](c2cccs2)C1 ZINC000155221885 402248781 /nfs/dbraw/zinc/24/87/81/402248781.db2.gz NMSIJHDYMILCSW-AWEZNQCLSA-N 1 0 308.447 2.428 10 0 DEAERO COc1ccc2nc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000108326786 402249556 /nfs/dbraw/zinc/24/95/56/402249556.db2.gz XCONCKMQRVATRN-ZDUSSCGKSA-N 1 0 313.401 2.315 10 0 DEAERO COC[C@H](O)C[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000125936110 402257163 /nfs/dbraw/zinc/25/71/63/402257163.db2.gz JJWFAADWYMKMJP-ZIAGYGMSSA-N 1 0 312.841 2.026 10 0 DEAERO C[C@]1(C(=O)NCc2ccc(Br)s2)CCC[NH2+]1 ZINC000070618959 402262572 /nfs/dbraw/zinc/26/25/72/402262572.db2.gz ALTFXYIUGYHVJZ-LLVKDONJSA-N 1 0 303.225 2.269 10 0 DEAERO Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000105164722 402206760 /nfs/dbraw/zinc/20/67/60/402206760.db2.gz JHZPHFPTCNHVSP-HNNXBMFYSA-N 1 0 304.438 2.310 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1cccc(F)c1 ZINC000068880540 402207937 /nfs/dbraw/zinc/20/79/37/402207937.db2.gz SWEDSBYUUYSVNH-CYBMUJFWSA-N 1 0 314.426 2.120 10 0 DEAERO CC[C@@H](C(=O)NCCc1coc(-c2ccc(F)cc2)n1)[NH+](C)C ZINC000125058143 402210945 /nfs/dbraw/zinc/21/09/45/402210945.db2.gz RSRMKIRDYRHBKG-HNNXBMFYSA-N 1 0 319.380 2.480 10 0 DEAERO Cc1ccccc1OCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105919626 402211400 /nfs/dbraw/zinc/21/14/00/402211400.db2.gz FJCTUQQMEGUHCV-INIZCTEOSA-N 1 0 300.406 2.378 10 0 DEAERO COc1ccc(Cl)cc1CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000106100087 402212625 /nfs/dbraw/zinc/21/26/25/402212625.db2.gz HHMQIAPDJCSIAF-QWHCGFSZSA-N 1 0 312.841 2.236 10 0 DEAERO CCC[C@@H](C(=O)NC[C@@](C)(O)c1cccc(Cl)c1)[NH+](C)C ZINC000185076620 402322723 /nfs/dbraw/zinc/32/27/23/402322723.db2.gz SFSSFRQIMCKLDQ-GOEBONIOSA-N 1 0 312.841 2.394 10 0 DEAERO Cc1cc(-c2noc([C@H](C)N3CCNC(=O)CC3)n2)ccc1F ZINC000126159169 402267412 /nfs/dbraw/zinc/26/74/12/402267412.db2.gz ILFKFZCBTZVLEQ-NSHDSACASA-N 1 0 318.352 2.067 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc2[nH]ccc2c1 ZINC000110091839 402281405 /nfs/dbraw/zinc/28/14/05/402281405.db2.gz JRLNTHLLTMOSJB-HNNXBMFYSA-N 1 0 316.405 2.400 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000157122528 402292253 /nfs/dbraw/zinc/29/22/53/402292253.db2.gz GPWUXMORYVIOIU-RDJZCZTQSA-N 1 0 315.417 2.201 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)C1 ZINC000176235541 402293248 /nfs/dbraw/zinc/29/32/48/402293248.db2.gz IRTSBQYLCAWBGW-QILLFSRXSA-N 1 0 304.434 2.142 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000176267005 402295806 /nfs/dbraw/zinc/29/58/06/402295806.db2.gz CDOABUVCHHXKOE-CQSZACIVSA-N 1 0 314.433 2.404 10 0 DEAERO C[C@H](CNC(=O)NCCc1cc(F)ccc1F)[N@H+](C)C1CC1 ZINC000176329921 402299941 /nfs/dbraw/zinc/29/99/41/402299941.db2.gz MOPLTOWKOWBYQU-LLVKDONJSA-N 1 0 311.376 2.289 10 0 DEAERO CCN(C[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1)CC(F)(F)F ZINC000176401822 402305966 /nfs/dbraw/zinc/30/59/66/402305966.db2.gz VMCHVCPFOSMQLO-LBPRGKRZSA-N 1 0 323.403 2.107 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000176399488 402305990 /nfs/dbraw/zinc/30/59/90/402305990.db2.gz RVQLLBSVIKZWCX-CHWSQXEVSA-N 1 0 323.462 2.469 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2scnc2C2CCCC2)CCO1 ZINC000184898332 402307214 /nfs/dbraw/zinc/30/72/14/402307214.db2.gz BRYMJHWXQPGXNI-CYBMUJFWSA-N 1 0 323.462 2.203 10 0 DEAERO O=C(NCCc1cc(F)ccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000176455856 402311282 /nfs/dbraw/zinc/31/12/82/402311282.db2.gz VILBALFZDIVZNA-OAHLLOKOSA-N 1 0 323.387 2.387 10 0 DEAERO COC(=O)c1coc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000184944116 402311470 /nfs/dbraw/zinc/31/14/70/402311470.db2.gz LESRUSYBSKORNR-AWEZNQCLSA-N 1 0 320.389 2.157 10 0 DEAERO O=C(NCCc1cc(F)ccc1F)N1CCC[N@@H+](C2CC2)CC1 ZINC000176460654 402311602 /nfs/dbraw/zinc/31/16/02/402311602.db2.gz AUVBCJRFNRHERM-UHFFFAOYSA-N 1 0 323.387 2.387 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000184949789 402312077 /nfs/dbraw/zinc/31/20/77/402312077.db2.gz SNNYFJPHLWEOKD-UTUOFQBUSA-N 1 0 312.335 2.370 10 0 DEAERO C[NH2+]C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000224472651 402314039 /nfs/dbraw/zinc/31/40/39/402314039.db2.gz BEPSGGPYJSIVQN-UHFFFAOYSA-N 1 0 300.324 2.458 10 0 DEAERO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185008043 402316945 /nfs/dbraw/zinc/31/69/45/402316945.db2.gz LUOJZFPDHTXDSF-CVEARBPZSA-N 1 0 304.394 2.201 10 0 DEAERO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ncncc2Cl)C1 ZINC000176543780 402318242 /nfs/dbraw/zinc/31/82/42/402318242.db2.gz NDHBUCDVIDSIGO-LBPRGKRZSA-N 1 0 310.829 2.372 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)NCC1(c2ccccc2)CC1 ZINC000185346521 402345659 /nfs/dbraw/zinc/34/56/59/402345659.db2.gz KJUMBAOQMJJJMQ-QGZVFWFLSA-N 1 0 318.461 2.173 10 0 DEAERO CCc1ccsc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176884785 402346496 /nfs/dbraw/zinc/34/64/96/402346496.db2.gz GAPIBAXSWRXFHO-CYBMUJFWSA-N 1 0 324.490 2.475 10 0 DEAERO CCOc1cccc(CNC(=O)C[N@H+](C)[C@H](CO)CC(C)C)c1 ZINC000185370803 402347720 /nfs/dbraw/zinc/34/77/20/402347720.db2.gz TXLVZQMKJWFWCV-INIZCTEOSA-N 1 0 322.449 2.040 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(C)c1C ZINC000176905158 402348916 /nfs/dbraw/zinc/34/89/16/402348916.db2.gz LYZUXEDVVAWHJQ-OAHLLOKOSA-N 1 0 317.433 2.185 10 0 DEAERO C[NH+](C)Cc1ccnc(NC(=O)C[C@@H]2c3ccccc3NC2=O)c1 ZINC000176920467 402350281 /nfs/dbraw/zinc/35/02/81/402350281.db2.gz YIYDAVICLOKWKD-CQSZACIVSA-N 1 0 324.384 2.208 10 0 DEAERO CC(C)CCOC1CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC1 ZINC000176964203 402354970 /nfs/dbraw/zinc/35/49/70/402354970.db2.gz ZJOSDMALQBDZOO-CQSZACIVSA-N 1 0 305.484 2.194 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000176974705 402355845 /nfs/dbraw/zinc/35/58/45/402355845.db2.gz TUSKASDXCFMXHK-ZDUSSCGKSA-N 1 0 313.401 2.497 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000177004888 402358793 /nfs/dbraw/zinc/35/87/93/402358793.db2.gz NNWYOGIJTXQPRM-AWEZNQCLSA-N 1 0 323.824 2.221 10 0 DEAERO CCC1CCC(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000185569346 402361950 /nfs/dbraw/zinc/36/19/50/402361950.db2.gz GYZZMNAVWVMHSC-GTPINHCMSA-N 1 0 324.513 2.280 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000236595150 402367356 /nfs/dbraw/zinc/36/73/56/402367356.db2.gz XQXXFBPGVBEKMK-RDJZCZTQSA-N 1 0 320.481 2.332 10 0 DEAERO CC(C)Oc1cc(Br)ccc1C(=O)NCCC[NH3+] ZINC000236613102 402368424 /nfs/dbraw/zinc/36/84/24/402368424.db2.gz ITEYKGZTSPRSSD-UHFFFAOYSA-N 1 0 315.211 2.315 10 0 DEAERO COc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000177090088 402368715 /nfs/dbraw/zinc/36/87/15/402368715.db2.gz WMDTUQPSABTIRG-GXTWGEPZSA-N 1 0 319.405 2.404 10 0 DEAERO CCCCCNC(=O)C1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236747456 402380151 /nfs/dbraw/zinc/38/01/51/402380151.db2.gz ZMWVNYMSTGJNTH-HOTGVXAUSA-N 1 0 323.481 2.049 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)[NH+](C)C ZINC000185848189 402382215 /nfs/dbraw/zinc/38/22/15/402382215.db2.gz YJEPCRQVPLJXFA-AWEZNQCLSA-N 1 0 304.394 2.333 10 0 DEAERO CC(C)[C@@H](C)CC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000176674902 402327815 /nfs/dbraw/zinc/32/78/15/402327815.db2.gz SEWWSQUYAUVKTR-DLBZAZTESA-N 1 0 309.498 2.297 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)CCc2nnc(C(C)C)o2)CC1 ZINC000176697243 402329434 /nfs/dbraw/zinc/32/94/34/402329434.db2.gz GERUSNGPGFFBON-UHFFFAOYSA-N 1 0 322.453 2.364 10 0 DEAERO O=C(c1c(O)cnc2ccccc21)N1CCC[N@@H+](C2CC2)CC1 ZINC000176724219 402331109 /nfs/dbraw/zinc/33/11/09/402331109.db2.gz HFFKHVOJCHFWFW-UHFFFAOYSA-N 1 0 311.385 2.251 10 0 DEAERO CN(C)c1noc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000185257278 402339190 /nfs/dbraw/zinc/33/91/90/402339190.db2.gz GPSDJTCPOQCMTK-HNNXBMFYSA-N 1 0 321.469 2.224 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000237141758 402396948 /nfs/dbraw/zinc/39/69/48/402396948.db2.gz IDPKKZGFNVTHHK-UHFFFAOYSA-N 1 0 312.417 2.313 10 0 DEAERO CC(C)CCn1cccc1CNC[C@@H](O)C[NH+]1CCCCC1 ZINC000161766391 402397866 /nfs/dbraw/zinc/39/78/66/402397866.db2.gz MPDDTEHPXYTKOE-GOSISDBHSA-N 1 0 307.482 2.471 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000161777819 402398581 /nfs/dbraw/zinc/39/85/81/402398581.db2.gz AITHCEPBOBRTBW-KFWWJZLASA-N 1 0 311.470 2.316 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177413136 402400036 /nfs/dbraw/zinc/40/00/36/402400036.db2.gz ZQJAFDAVLVCHLC-JKSUJKDBSA-N 1 0 321.469 2.033 10 0 DEAERO CCC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177467920 402406249 /nfs/dbraw/zinc/40/62/49/402406249.db2.gz NYYQFWVHGXYKGT-KRWDZBQOSA-N 1 0 304.434 2.300 10 0 DEAERO C[C@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)c1ccc2c(c1)OCO2 ZINC000237427785 402407839 /nfs/dbraw/zinc/40/78/39/402407839.db2.gz AZWYPFBWMQNGAP-WFASDCNBSA-N 1 0 312.369 2.335 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCCn1ccnc1C ZINC000177545091 402414627 /nfs/dbraw/zinc/41/46/27/402414627.db2.gz BYKZZNSUFXHSSJ-MRXNPFEDSA-N 1 0 321.469 2.097 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C12CCOCC2 ZINC000186271098 402416787 /nfs/dbraw/zinc/41/67/87/402416787.db2.gz RLBWPRKMADAWOD-DLBZAZTESA-N 1 0 323.408 2.382 10 0 DEAERO CC[C@@H]1CCC[C@H](NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000186273239 402416851 /nfs/dbraw/zinc/41/68/51/402416851.db2.gz LQWWADYURVZKPH-FPCVCCKLSA-N 1 0 311.470 2.052 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cn(C)nc2C)C12CCOCC2 ZINC000186319610 402421230 /nfs/dbraw/zinc/42/12/30/402421230.db2.gz UTLRUBNYHOLKCU-APHBMKBZSA-N 1 0 307.438 2.353 10 0 DEAERO COCCC1(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC000186333426 402421978 /nfs/dbraw/zinc/42/19/78/402421978.db2.gz VRXNSJBUYNPHMN-HNNXBMFYSA-N 1 0 311.470 2.367 10 0 DEAERO CCC[C@@H](C(=O)NCCCOc1cccc(OC)c1)[NH+](C)C ZINC000162572956 402424914 /nfs/dbraw/zinc/42/49/14/402424914.db2.gz ZHTWYPGPHQDAEC-INIZCTEOSA-N 1 0 308.422 2.311 10 0 DEAERO O=C(/C=C/c1ccc2c(c1)OCO2)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186528498 402438923 /nfs/dbraw/zinc/43/89/23/402438923.db2.gz OVOJPAXNUDAKRM-YOIVXCQUSA-N 1 0 314.385 2.172 10 0 DEAERO CCOc1ccc(C(=O)N2CCC([NH2+][C@H]3CCOC3)CC2)cc1 ZINC000177829763 402439349 /nfs/dbraw/zinc/43/93/49/402439349.db2.gz IQNOEDHLEBNVDW-INIZCTEOSA-N 1 0 318.417 2.068 10 0 DEAERO O=C(NCCC[NH+]1CCCCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000177891534 402442682 /nfs/dbraw/zinc/44/26/82/402442682.db2.gz CVUZJYAESJMCGF-WMZOPIPTSA-N 1 0 323.481 2.199 10 0 DEAERO CCC[C@H](C(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1)[NH+](C)C ZINC000161578487 402392714 /nfs/dbraw/zinc/39/27/14/402392714.db2.gz QXSYAXXEMZWLBK-SMDDNHRTSA-N 1 0 306.410 2.085 10 0 DEAERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1)[NH+](C)C ZINC000161578372 402392721 /nfs/dbraw/zinc/39/27/21/402392721.db2.gz QXSYAXXEMZWLBK-FZMZJTMJSA-N 1 0 306.410 2.085 10 0 DEAERO C[NH2+]CC1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000237068623 402393673 /nfs/dbraw/zinc/39/36/73/402393673.db2.gz NMDOKTDOCVIHOT-UHFFFAOYSA-N 1 0 316.380 2.287 10 0 DEAERO COc1c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(C)nn1C ZINC000246119296 402511802 /nfs/dbraw/zinc/51/18/02/402511802.db2.gz KGRDTFYRFMNTJB-DZGCQCFKSA-N 1 0 319.405 2.418 10 0 DEAERO CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)Cc2ccc(F)cc2)C1(C)C ZINC000186706525 402457706 /nfs/dbraw/zinc/45/77/06/402457706.db2.gz YAGZTUKXVIVYJX-YOEHRIQHSA-N 1 0 308.397 2.317 10 0 DEAERO C[C@H](c1ccccc1)[C@](C)(O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245428250 402459833 /nfs/dbraw/zinc/45/98/33/402459833.db2.gz WYKKYLTWMLBLQB-LFEHRJTNSA-N 1 0 318.461 2.482 10 0 DEAERO CCO[C@H](CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)C(C)C ZINC000245436177 402460350 /nfs/dbraw/zinc/46/03/50/402460350.db2.gz QUSYNSAQUFRPRK-BZUAXINKSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(=O)c1cccc(F)c1 ZINC000245461220 402462599 /nfs/dbraw/zinc/46/25/99/402462599.db2.gz MRQQRRAUCAXLJD-CJNGLKHVSA-N 1 0 318.392 2.341 10 0 DEAERO C[C@H](CCOc1ccccc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245458077 402462840 /nfs/dbraw/zinc/46/28/40/402462840.db2.gz USMARJMDVIBHDT-CVEARBPZSA-N 1 0 302.418 2.398 10 0 DEAERO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1 ZINC000245464066 402463146 /nfs/dbraw/zinc/46/31/46/402463146.db2.gz XTBMHBUSOAGWOH-UONOGXRCSA-N 1 0 317.433 2.495 10 0 DEAERO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)CC1(CO)CC1 ZINC000186768177 402463290 /nfs/dbraw/zinc/46/32/90/402463290.db2.gz IKRRRWIYEZGAMB-LBPRGKRZSA-N 1 0 310.825 2.049 10 0 DEAERO C[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000187862351 402512330 /nfs/dbraw/zinc/51/23/30/402512330.db2.gz JPYCDGFDKWBLFG-BZNIZROVSA-N 1 0 318.348 2.480 10 0 DEAERO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCn2ncnc21 ZINC000164663288 402467094 /nfs/dbraw/zinc/46/70/94/402467094.db2.gz JBATXHUNBWUTST-JKSUJKDBSA-N 1 0 318.396 2.490 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cncc(F)c1 ZINC000178194829 402469971 /nfs/dbraw/zinc/46/99/71/402469971.db2.gz KZWFDTKBQYDWOG-DOMZBBRYSA-N 1 0 301.369 2.330 10 0 DEAERO COC[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000245548506 402470027 /nfs/dbraw/zinc/47/00/27/402470027.db2.gz XUYFNFCFCZNSGL-KZNAEPCWSA-N 1 0 307.434 2.362 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000245651837 402477280 /nfs/dbraw/zinc/47/72/80/402477280.db2.gz BZSNJWFGPVOXJU-VXGBXAGGSA-N 1 0 307.360 2.455 10 0 DEAERO C[C@@H]1OCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[C@H]1C ZINC000245685515 402479123 /nfs/dbraw/zinc/47/91/23/402479123.db2.gz WDBPVGRITHZDFY-DIECFANBSA-N 1 0 317.433 2.251 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(N(C)C)cc1 ZINC000245689940 402479700 /nfs/dbraw/zinc/47/97/00/402479700.db2.gz AQZURROAPYDVIS-CJNGLKHVSA-N 1 0 302.422 2.453 10 0 DEAERO Cc1cnc([C@@H](C)CNC(=O)N2CCC[N@@H+](C3CC3)CC2)s1 ZINC000187079796 402481567 /nfs/dbraw/zinc/48/15/67/402481567.db2.gz PJMOXLXWKUXATE-LBPRGKRZSA-N 1 0 322.478 2.435 10 0 DEAERO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c(C)n1 ZINC000187096140 402482761 /nfs/dbraw/zinc/48/27/61/402482761.db2.gz BCJLJOIKNJEZEF-GOSISDBHSA-N 1 0 303.450 2.385 10 0 DEAERO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000246152638 402513268 /nfs/dbraw/zinc/51/32/68/402513268.db2.gz GOWNOVGIXUSFGY-VVLHAWIVSA-N 1 0 307.482 2.050 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cnc3ccc(C)cn23)C[C@H]1C ZINC000245741685 402484884 /nfs/dbraw/zinc/48/48/84/402484884.db2.gz LYWCJANRFROUIX-MRXNPFEDSA-N 1 0 316.449 2.185 10 0 DEAERO C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000245749911 402485532 /nfs/dbraw/zinc/48/55/32/402485532.db2.gz NPFRMSZNGHEVIQ-YPXCQQABSA-N 1 0 304.409 2.491 10 0 DEAERO 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CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](O)CC(C)(C)C ZINC000172326694 402650315 /nfs/dbraw/zinc/65/03/15/402650315.db2.gz FFFGZHHRPJKYQN-ZIAGYGMSSA-N 1 0 301.475 2.059 10 0 DEAERO COc1ccc(NC(=O)[C@H](C)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000172345965 402651233 /nfs/dbraw/zinc/65/12/33/402651233.db2.gz BOWAGLYQBVJSFZ-AWEZNQCLSA-N 1 0 317.433 2.192 10 0 DEAERO Cc1nc(NC(=O)[C@@H](C)N2CCC[N@@H+](C3CC3)CC2)sc1C ZINC000172348059 402651687 /nfs/dbraw/zinc/65/16/87/402651687.db2.gz KMXXPOQWDNEAGI-GFCCVEGCSA-N 1 0 322.478 2.257 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000251954306 402651758 /nfs/dbraw/zinc/65/17/58/402651758.db2.gz YJJMNORLJVJOFF-QAETUUGQSA-N 1 0 323.481 2.458 10 0 DEAERO CC[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000252003235 402652137 /nfs/dbraw/zinc/65/21/37/402652137.db2.gz WTUJWTALHAQUKV-TZMCWYRMSA-N 1 0 322.371 2.024 10 0 DEAERO COC1(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000181799259 402657334 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CCOc1ncccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173779867 402712567 /nfs/dbraw/zinc/71/25/67/402712567.db2.gz AGNWKLBWFRILHJ-UKRRQHHQSA-N 1 0 320.437 2.104 10 0 DEAERO COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C[C@H]1CCC[NH2+]C1 ZINC000262041733 402721909 /nfs/dbraw/zinc/72/19/09/402721909.db2.gz YINAKZVMODDSIK-XIRDDKMYSA-N 1 0 308.466 2.430 10 0 DEAERO Cc1ccc([C@H](C[NH2+]Cc2cocn2)N2CCOCC2)s1 ZINC000192309362 402721898 /nfs/dbraw/zinc/72/18/98/402721898.db2.gz SSGPVHHCAWEUKK-AWEZNQCLSA-N 1 0 307.419 2.208 10 0 DEAERO C[C@@H](C(=O)NCC1CCCCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172541835 402661395 /nfs/dbraw/zinc/66/13/95/402661395.db2.gz KEVYPTRYNIEBFL-HNNXBMFYSA-N 1 0 307.482 2.242 10 0 DEAERO C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H]1CCCO1 ZINC000172548483 402662210 /nfs/dbraw/zinc/66/22/10/402662210.db2.gz QIQVDVQWUDMNNW-HOCLYGCPSA-N 1 0 309.454 2.214 10 0 DEAERO C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CCCOC1 ZINC000172584711 402664548 /nfs/dbraw/zinc/66/45/48/402664548.db2.gz OMBUYLIETDDJSB-MRXNPFEDSA-N 1 0 311.470 2.319 10 0 DEAERO COCCN(C)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000191399066 402667084 /nfs/dbraw/zinc/66/70/84/402667084.db2.gz RLRRBJLQBLGETH-RDJZCZTQSA-N 1 0 320.481 2.079 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)c1c(C)noc1C ZINC000253549805 402668673 /nfs/dbraw/zinc/66/86/73/402668673.db2.gz WKXYVCMOISCDLR-DFBGVHRSSA-N 1 0 305.422 2.480 10 0 DEAERO COC(=O)c1ccccc1OCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000182213523 402672817 /nfs/dbraw/zinc/67/28/17/402672817.db2.gz XEKFLBLKRPFXGT-LSDHHAIUSA-N 1 0 320.433 2.267 10 0 DEAERO C[C@@H]([NH3+])CCNC(=O)/C=C\c1ccccc1OC(F)(F)F ZINC000254943323 402672891 /nfs/dbraw/zinc/67/28/91/402672891.db2.gz HEJYXUSLQFWPSO-JYESYGNLSA-N 1 0 302.296 2.452 10 0 DEAERO Cc1ccc(/C=C\CC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000254986329 402674231 /nfs/dbraw/zinc/67/42/31/402674231.db2.gz ZKZFVNMYZCSXOD-PLNGDYQASA-N 1 0 316.445 2.313 10 0 DEAERO O=C(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)c1ccc(F)cc1 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2.237 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)CC2CCCCC2)CC[N@@H+]1C ZINC000173276827 402690897 /nfs/dbraw/zinc/69/08/97/402690897.db2.gz KTICVGNZJXQAOL-ZFWWWQNUSA-N 1 0 302.484 2.311 10 0 DEAERO c1nc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)co1 ZINC000191924548 402699068 /nfs/dbraw/zinc/69/90/68/402699068.db2.gz SLGAFJCKXOHOCV-ZDUSSCGKSA-N 1 0 301.394 2.372 10 0 DEAERO O[C@]1(c2ccccn2)CCOC2(CC[NH+](CC3CC3)CC2)C1 ZINC000257176363 402700457 /nfs/dbraw/zinc/70/04/57/402700457.db2.gz SKUWSIWFHHOMSI-GOSISDBHSA-N 1 0 302.418 2.324 10 0 DEAERO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1O ZINC000174072242 402725849 /nfs/dbraw/zinc/72/58/49/402725849.db2.gz KYBGYKBBGMPANU-OCCSQVGLSA-N 1 0 321.421 2.025 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(CCCOc2cc(C)cc(C)c2)CC1 ZINC000174089305 402726310 /nfs/dbraw/zinc/72/63/10/402726310.db2.gz OTFVFYATIUFOQZ-GOSISDBHSA-N 1 0 320.477 2.461 10 0 DEAERO CC(C)(C)[NH2+]CCNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000174241483 402733180 /nfs/dbraw/zinc/73/31/80/402733180.db2.gz 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ZINC000194051194 402782513 /nfs/dbraw/zinc/78/25/13/402782513.db2.gz LQWYGQNXWSSKQA-CVEARBPZSA-N 1 0 311.470 2.224 10 0 DEAERO CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCn3ccnc32)CC1 ZINC000175041957 402774327 /nfs/dbraw/zinc/77/43/27/402774327.db2.gz QZFIAFXUWPRUSW-HNNXBMFYSA-N 1 0 304.438 2.093 10 0 DEAERO C[C@H](C(=O)N1CCC(c2cc[nH]n2)CC1)[NH+]1CCCCCC1 ZINC000174031252 402724418 /nfs/dbraw/zinc/72/44/18/402724418.db2.gz RAISMBYBXKHLCZ-CQSZACIVSA-N 1 0 304.438 2.380 10 0 DEAERO COC[C@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C)o1 ZINC000175278152 402793560 /nfs/dbraw/zinc/79/35/60/402793560.db2.gz CZQIUUZIVFYAHZ-ZFWWWQNUSA-N 1 0 323.437 2.449 10 0 DEAERO CN(C)c1ncccc1CNC(=O)CCn1cnc2ccccc21 ZINC000194440279 402797593 /nfs/dbraw/zinc/79/75/93/402797593.db2.gz UDXYLLMUJGLKAG-UHFFFAOYSA-N 1 0 323.400 2.204 10 0 DEAERO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183787700 402797660 /nfs/dbraw/zinc/79/76/60/402797660.db2.gz IJVMQYWRORYRIA-HZPDHXFCSA-N 1 0 318.465 2.287 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(C)Cc1ccccc1F ZINC000175341300 402798468 /nfs/dbraw/zinc/79/84/68/402798468.db2.gz WAFBJJFTZBMOLG-INIZCTEOSA-N 1 0 321.440 2.200 10 0 DEAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cnn1Cc1ccccc1 ZINC000195332521 402842584 /nfs/dbraw/zinc/84/25/84/402842584.db2.gz AUQYZOSJZQTCGS-KRWDZBQOSA-N 1 0 324.428 2.160 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)Cc1cccc(C)c1 ZINC000175393419 402802498 /nfs/dbraw/zinc/80/24/98/402802498.db2.gz YADVIXQLNKTBSM-MRXNPFEDSA-N 1 0 310.463 2.241 10 0 DEAERO O=C(NCCc1cc(F)cc(F)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194557041 402802800 /nfs/dbraw/zinc/80/28/00/402802800.db2.gz XUPVNNHZHGYQFO-UHFFFAOYSA-N 1 0 323.387 2.387 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000194648552 402808099 /nfs/dbraw/zinc/80/80/99/402808099.db2.gz MKYHOXDIEZDRCW-INIZCTEOSA-N 1 0 312.417 2.015 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000194702230 402811321 /nfs/dbraw/zinc/81/13/21/402811321.db2.gz 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ZINC000175854532 402838687 /nfs/dbraw/zinc/83/86/87/402838687.db2.gz USDSSAYLDZFMSO-OAHLLOKOSA-N 1 0 317.813 2.234 10 0 DEAERO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1C(C)C)C(C)C ZINC000183640288 402784216 /nfs/dbraw/zinc/78/42/16/402784216.db2.gz NDAHIDWTPWWADS-INIZCTEOSA-N 1 0 319.449 2.417 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N(C)C(C)C ZINC000175202425 402787756 /nfs/dbraw/zinc/78/77/56/402787756.db2.gz ANBWKRPZQVYKCN-LSDHHAIUSA-N 1 0 306.454 2.429 10 0 DEAERO COC(=O)c1ccc(NC[C@H](C)C[NH+]2CCCCC2)nc1OC ZINC000184501886 402847197 /nfs/dbraw/zinc/84/71/97/402847197.db2.gz ZCUGAMRFDDMWRP-ZDUSSCGKSA-N 1 0 321.421 2.411 10 0 DEAERO CC1CCN(C(=O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000195515689 402848552 /nfs/dbraw/zinc/84/85/52/402848552.db2.gz QFMGUWTXWKJINQ-INIZCTEOSA-N 1 0 316.449 2.074 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+]C2CCOCC2)c2ccc(F)cc2C1 ZINC000184518518 402848734 /nfs/dbraw/zinc/84/87/34/402848734.db2.gz RKTCGTRHFQCEGM-QGZVFWFLSA-N 1 0 306.381 2.388 10 0 DEAERO CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000176045472 402850039 /nfs/dbraw/zinc/85/00/39/402850039.db2.gz HPDBPODNTIKTBL-JKSUJKDBSA-N 1 0 313.486 2.349 10 0 DEAERO c1ccc(CN2CC[C@H]([N@@H+]3CCC[C@@H](C4OCCO4)C3)C2)cc1 ZINC000271364008 402862602 /nfs/dbraw/zinc/86/26/02/402862602.db2.gz NXNFJHKYGQEKBY-MSOLQXFVSA-N 1 0 316.445 2.346 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C12CCOCC2 ZINC000186355969 286279899 /nfs/dbraw/zinc/27/98/99/286279899.db2.gz VRAPECFSUWJTGQ-ZIAGYGMSSA-N 1 0 313.438 2.282 10 0 DEAERO c1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)n(-c2ccccc2)n1 ZINC000279859093 402965239 /nfs/dbraw/zinc/96/52/39/402965239.db2.gz PUCHGUMTGYTCFD-OAHLLOKOSA-N 1 0 313.401 2.457 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)NC(C)(C)C ZINC000268767671 403111978 /nfs/dbraw/zinc/11/19/78/403111978.db2.gz RAOJHBZOBSPHBA-DOTOQJQBSA-N 1 0 317.477 2.401 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncnc2c1ncn2C1CC1 ZINC000292298763 403348879 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O=C(NCC1CCCCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000458999724 405685208 /nfs/dbraw/zinc/68/52/08/405685208.db2.gz BMDXXVPUBRTFIV-KRWDZBQOSA-N 1 0 323.481 2.321 10 0 DEAERO C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CCCC(F)(F)C2)CCSC1 ZINC000494422287 405694702 /nfs/dbraw/zinc/69/47/02/405694702.db2.gz BQTVPKOIVMMWOB-DGCLKSJQSA-N 1 0 321.437 2.301 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1 ZINC000636094682 405734851 /nfs/dbraw/zinc/73/48/51/405734851.db2.gz WNZKLZJJOXVASX-JKSUJKDBSA-N 1 0 317.433 2.128 10 0 DEAERO C[C@H]1CN(C(=O)c2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000638884824 405739445 /nfs/dbraw/zinc/73/94/45/405739445.db2.gz FIJOEBOOJHMKOY-DTWKUNHWSA-N 1 0 315.186 2.255 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)C[C@H]1C[NH3+] ZINC000638887204 405740820 /nfs/dbraw/zinc/74/08/20/405740820.db2.gz JZWKIAOFKQUPCW-PSASIEDQSA-N 1 0 315.186 2.255 10 0 DEAERO C[C@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000638885635 405741144 /nfs/dbraw/zinc/74/11/44/405741144.db2.gz 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CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000471782429 406116988 /nfs/dbraw/zinc/11/69/88/406116988.db2.gz SHOXYZXJVDUMLJ-CORIIIEPSA-N 1 0 312.435 2.276 10 0 DEAERO C(c1noc(CN2CCSC3(CCOCC3)C2)n1)C1CC1 ZINC000639590329 406158567 /nfs/dbraw/zinc/15/85/67/406158567.db2.gz VIDHLNWTGFKUPC-UHFFFAOYSA-N 1 0 309.435 2.120 10 0 DEAERO CC(C)C[C@@H](CCO)C[NH2+]Cc1c(Br)cnn1C ZINC000487312188 406222243 /nfs/dbraw/zinc/22/22/43/406222243.db2.gz RKMSVQOPCWBQKE-LLVKDONJSA-N 1 0 318.259 2.317 10 0 DEAERO O=C(NCc1ccccc1Br)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736891 406255942 /nfs/dbraw/zinc/25/59/42/406255942.db2.gz CTOSIIOZVKFJSI-WFASDCNBSA-N 1 0 323.234 2.455 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000546566039 406362687 /nfs/dbraw/zinc/36/26/87/406362687.db2.gz JNLSJEWYKVFJGG-JKSUJKDBSA-N 1 0 309.454 2.143 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCc2ccc3c(c2)CCO3)CC1 ZINC000545860915 406329029 /nfs/dbraw/zinc/32/90/29/406329029.db2.gz WYVAYLAAOVUWME-UHFFFAOYSA-N 1 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CCCCNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637871665 406456195 /nfs/dbraw/zinc/45/61/95/406456195.db2.gz SVMUQHVRTNJNPV-UHFFFAOYSA-N 1 0 303.450 2.286 10 0 DEAERO CC(C)[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C(F)(F)F ZINC000526068183 406541737 /nfs/dbraw/zinc/54/17/37/406541737.db2.gz WMHZMXWJWXCDHM-NEPJUHHUSA-N 1 0 307.360 2.453 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000569200881 292396536 /nfs/dbraw/zinc/39/65/36/292396536.db2.gz VOMHPPSKDGENPM-MRXNPFEDSA-N 1 0 316.405 2.028 10 0 DEAERO Cc1ccc2[nH]c(CNC(=O)NC[C@@H]3CCC[N@@H+](C)C3)nc2c1 ZINC000525821056 406507136 /nfs/dbraw/zinc/50/71/36/406507136.db2.gz ZRMZHTCQRLOFBN-ZDUSSCGKSA-N 1 0 315.421 2.012 10 0 DEAERO [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000637988235 406511544 /nfs/dbraw/zinc/51/15/44/406511544.db2.gz VVUBYXGIJMMUCD-ZJUUUORDSA-N 1 0 319.586 2.157 10 0 DEAERO c1ccc(N2CC[C@@H](C[NH+]3CCN(c4cccnn4)CC3)C2)cc1 ZINC000638000318 406516351 /nfs/dbraw/zinc/51/63/51/406516351.db2.gz QQGRZZCNSPULFN-KRWDZBQOSA-N 1 0 323.444 2.125 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cc(O)ccc1C(F)(F)F ZINC000527251566 406604775 /nfs/dbraw/zinc/60/47/75/406604775.db2.gz OVBYDALADCLBNW-UHFFFAOYSA-N 1 0 304.312 2.435 10 0 DEAERO c1ccc(CN2CCO[C@@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000638317228 406696499 /nfs/dbraw/zinc/69/64/99/406696499.db2.gz PVUAEDNVIJWCSD-ROUUACIJSA-N 1 0 304.434 2.046 10 0 DEAERO Cc1occc1CN(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638382469 406738091 /nfs/dbraw/zinc/73/80/91/406738091.db2.gz WTKBLFUJJQKCRK-QGZVFWFLSA-N 1 0 315.417 2.006 10 0 DEAERO [NH3+]C1(CC(=O)N[C@@H]2CC23CC3)CCN(Cc2ccccc2)CC1 ZINC000638366362 406727343 /nfs/dbraw/zinc/72/73/43/406727343.db2.gz HLEJCCVBPRACLJ-MRXNPFEDSA-N 1 0 313.445 2.039 10 0 DEAERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643617669 407017714 /nfs/dbraw/zinc/01/77/14/407017714.db2.gz LXLLJQIRVFKGMW-WMLDXEAASA-N 1 0 302.418 2.050 10 0 DEAERO Cc1nsc(NC(=O)c2cc(NN)[nH+]c(C(C)(C)C)c2)n1 ZINC000128741905 195988216 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CCC[NH2+]C[C@H]1CC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129285616 196035539 /nfs/dbraw/zinc/03/55/39/196035539.db2.gz HFUWOFNXLSTBKR-RRFJBIMHSA-N 1 0 302.484 2.074 10 0 DEAERO C[C@@]1(CNc2ccccc2S(=O)(=O)C(F)F)CCC[NH2+]C1 ZINC000129304669 196037526 /nfs/dbraw/zinc/03/75/26/196037526.db2.gz OFDXWYOZBIVXLA-CQSZACIVSA-N 1 0 318.389 2.485 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cccc2ncccc21 ZINC000129310172 196038375 /nfs/dbraw/zinc/03/83/75/196038375.db2.gz TZAKXCCJRHKDJS-ZDUSSCGKSA-N 1 0 321.446 2.243 10 0 DEAERO OCCOC1CC[NH+](C[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000129327538 196039809 /nfs/dbraw/zinc/03/98/09/196039809.db2.gz DLJIAKOVNJMXSH-HNNXBMFYSA-N 1 0 311.809 2.117 10 0 DEAERO C[C@]1(CNc2nc3c(Br)cccn3n2)CCC[NH2+]C1 ZINC000129397726 196044937 /nfs/dbraw/zinc/04/49/37/196044937.db2.gz MFUUYLBNZYVPLQ-ZDUSSCGKSA-N 1 0 324.226 2.293 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ncc(Br)cc1C ZINC000129578967 196058317 /nfs/dbraw/zinc/05/83/17/196058317.db2.gz ZUHFYBMLWCSTDN-VIFPVBQESA-N 1 0 300.200 2.466 10 0 DEAERO O=S1(=O)CC[C@@H](C[NH2+][C@@H]2CCc3sc(Cl)cc32)C1 ZINC000129594837 196060487 /nfs/dbraw/zinc/06/04/87/196060487.db2.gz SQPNIPBJEZZGPX-WCBMZHEXSA-N 1 0 305.852 2.413 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Nc1ncc(Br)cc1C ZINC000129634612 196064494 /nfs/dbraw/zinc/06/44/94/196064494.db2.gz QZEFZLBAZCKTBH-VIFPVBQESA-N 1 0 300.200 2.466 10 0 DEAERO COc1ccc(O)c(C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000129819578 196078304 /nfs/dbraw/zinc/07/83/04/196078304.db2.gz FHYFWEHBDRJXNI-UHFFFAOYSA-N 1 0 306.406 2.251 10 0 DEAERO CCCC[C@@H](C[NH3+])Nc1nc2ccc(Br)cn2n1 ZINC000130579215 196092191 /nfs/dbraw/zinc/09/21/91/196092191.db2.gz ONUCNHSAJJQXJK-JTQLQIEISA-N 1 0 312.215 2.421 10 0 DEAERO C[NH2+]C[C@@H]1CCCCC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000130697581 196102625 /nfs/dbraw/zinc/10/26/25/196102625.db2.gz QEPFNZDVRAKTRC-XHSDSOJGSA-N 1 0 316.511 2.464 10 0 DEAERO CS[C@@H](C)CCNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000130938933 196123667 /nfs/dbraw/zinc/12/36/67/196123667.db2.gz FKXQUOWXKOKVIV-QWRGUYRKSA-N 1 0 302.465 2.126 10 0 DEAERO COCC[NH2+]CCc1cc(Br)cc2c1OCC2 ZINC000131066374 196136919 /nfs/dbraw/zinc/13/69/19/196136919.db2.gz NWDMHCAQSWKVCN-UHFFFAOYSA-N 1 0 300.196 2.163 10 0 DEAERO CCc1nn([C@H]2CCS(=O)(=O)C2)c(CC)c1[C@@H](CC)[NH2+]C ZINC000131084657 196138881 /nfs/dbraw/zinc/13/88/81/196138881.db2.gz WOANRUYZTDRROE-NWDGAFQWSA-N 1 0 313.467 2.038 10 0 DEAERO C[C@]1(NC2=[NH+]CC3(CCCCC3)CS2)CCS(=O)(=O)C1 ZINC000131137868 196143289 /nfs/dbraw/zinc/14/32/89/196143289.db2.gz GIAJFLNLSUWRDG-ZDUSSCGKSA-N 1 0 316.492 2.207 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)NCCCC(F)(F)F)cc1C[NH3+] ZINC000131212826 196150137 /nfs/dbraw/zinc/15/01/37/196150137.db2.gz RPOSOGXPIVNXRE-UHFFFAOYSA-N 1 0 324.368 2.383 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C(=O)C[C@H](C)c2ccccc2F)CC1 ZINC000131468338 196171911 /nfs/dbraw/zinc/17/19/11/196171911.db2.gz KMCZBGWFQBEBJK-GJZGRUSLSA-N 1 0 322.424 2.234 10 0 DEAERO CCOC(=O)[C@@H](NCC[NH+](C)C)c1ccc(C(F)F)cc1 ZINC000131507456 196175012 /nfs/dbraw/zinc/17/50/12/196175012.db2.gz BXJVDSNBLUYMDJ-ZDUSSCGKSA-N 1 0 300.349 2.380 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(Br)cc1O ZINC000131589071 196182410 /nfs/dbraw/zinc/18/24/10/196182410.db2.gz WWFZJPUKZQKQGL-SCZZXKLOSA-N 1 0 313.195 2.107 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000131646570 196187235 /nfs/dbraw/zinc/18/72/35/196187235.db2.gz MFOXDLHTQMEUMX-HZSPNIEDSA-N 1 0 307.463 2.081 10 0 DEAERO C[C@@H](C[NH+](C)C)N1C(=O)C2(CCCC2)N[C@@H]1c1cccs1 ZINC000131649254 196187587 /nfs/dbraw/zinc/18/75/87/196187587.db2.gz YPBRUAAYBFEXKP-JSGCOSHPSA-N 1 0 307.463 2.441 10 0 DEAERO CC[C@H](C)[C@H](O)c1c(Br)cnn1CC[NH+](C)C ZINC000132029307 196220263 /nfs/dbraw/zinc/22/02/63/196220263.db2.gz LBBWFHATFRCFCG-CABZTGNLSA-N 1 0 304.232 2.287 10 0 DEAERO CC[NH+](CC)CCCNC(=O)c1sc2cccnc2c1N ZINC000132140739 196229339 /nfs/dbraw/zinc/22/93/39/196229339.db2.gz ABQUURWRKWPWSK-UHFFFAOYSA-N 1 0 306.435 2.340 10 0 DEAERO CCCNc1ncc(Br)c(NC[C@H](C)[NH+](C)C)n1 ZINC000132225429 196236863 /nfs/dbraw/zinc/23/68/63/196236863.db2.gz GRPYMGZHUOJTHB-VIFPVBQESA-N 1 0 316.247 2.423 10 0 DEAERO NC(=O)NCC[NH2+][C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000132441375 196256371 /nfs/dbraw/zinc/25/63/71/196256371.db2.gz QVKJCVHMYLTKLN-JTQLQIEISA-N 1 0 304.177 2.075 10 0 DEAERO CC(C)[C@@H]1CN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CCS1 ZINC000132438325 196256384 /nfs/dbraw/zinc/25/63/84/196256384.db2.gz DDTAEIJBEMPIPY-ILXRZTDVSA-N 1 0 313.511 2.498 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000132459924 196257582 /nfs/dbraw/zinc/25/75/82/196257582.db2.gz VPQIRPRXFLMFEB-VHSXEESVSA-N 1 0 322.352 2.154 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](COCc2cccc(F)c2Br)O1 ZINC000132495411 196259262 /nfs/dbraw/zinc/25/92/62/196259262.db2.gz OXTFFPOEXQSJRV-GXSJLCMTSA-N 1 0 318.186 2.482 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000179241956 287270136 /nfs/dbraw/zinc/27/01/36/287270136.db2.gz WEGOXVASBRBSHQ-QXSJWSMHSA-N 1 0 321.465 2.118 10 0 DEAERO CCc1noc(CC)c1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000132964531 196300579 /nfs/dbraw/zinc/30/05/79/196300579.db2.gz BHZVSRVVEDHJQJ-STQMWFEESA-N 1 0 320.437 2.178 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000132973935 196301321 /nfs/dbraw/zinc/30/13/21/196301321.db2.gz SVEDWAUIMYZCHS-OAHLLOKOSA-N 1 0 318.808 2.240 10 0 DEAERO CCOC(=O)Cc1csc(N2CC[C@H]([NH+](CC)CC)C2)n1 ZINC000133971019 196350703 /nfs/dbraw/zinc/35/07/03/196350703.db2.gz IGLBRHUQJKVAIZ-ZDUSSCGKSA-N 1 0 311.451 2.169 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000133981222 196350964 /nfs/dbraw/zinc/35/09/64/196350964.db2.gz CKJGMASUMUOQBT-CQSZACIVSA-N 1 0 318.808 2.350 10 0 DEAERO COCC[NH2+]C[C@@H](COC)c1cccc(Br)c1 ZINC000134061733 196358336 /nfs/dbraw/zinc/35/83/36/196358336.db2.gz SMZNQYVKNCUPJA-LBPRGKRZSA-N 1 0 302.212 2.415 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](CC)CSC)o1 ZINC000134258178 196374467 /nfs/dbraw/zinc/37/44/67/196374467.db2.gz SZMPUSHILMQRRA-LLVKDONJSA-N 1 0 320.480 2.199 10 0 DEAERO Cc1ccccc1S(=O)(=O)N[C@@](C)(C[NH3+])c1ccccc1 ZINC000134472269 196393613 /nfs/dbraw/zinc/39/36/13/196393613.db2.gz CFTRCGJBLXIJHJ-INIZCTEOSA-N 1 0 304.415 2.147 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000134498316 196396738 /nfs/dbraw/zinc/39/67/38/196396738.db2.gz MKAOJKXEGMXPAZ-JTQLQIEISA-N 1 0 309.797 2.028 10 0 DEAERO C[NH2+]Cc1cnc(Oc2cncc(Br)c2)nc1C ZINC000134539014 196399852 /nfs/dbraw/zinc/39/98/52/196399852.db2.gz YFWYBOJARWJXTG-UHFFFAOYSA-N 1 0 309.167 2.454 10 0 DEAERO Cc1sc(C[NH2+]C(C)C)cc1S(=O)(=O)NCC(F)F ZINC000136661531 196546107 /nfs/dbraw/zinc/54/61/07/196546107.db2.gz SLBVHAINLHSZBB-UHFFFAOYSA-N 1 0 312.407 2.098 10 0 DEAERO COC[C@H]([NH2+]CCCc1nc(C(C)C)no1)C1CCOCC1 ZINC000187935942 225003930 /nfs/dbraw/zinc/00/39/30/225003930.db2.gz LETBVASITJVKGQ-AWEZNQCLSA-N 1 0 311.426 2.157 10 0 DEAERO Cc1ccccc1CCNC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000188031013 225006449 /nfs/dbraw/zinc/00/64/49/225006449.db2.gz AQSAPHNTAXXWJR-KXBFYZLASA-N 1 0 318.461 2.137 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000189961024 225069930 /nfs/dbraw/zinc/06/99/30/225069930.db2.gz KEDZJKKRJOGQJX-ZIAGYGMSSA-N 1 0 320.437 2.182 10 0 DEAERO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC[C@H](C(N)=O)C1)C2 ZINC000192443071 225134240 /nfs/dbraw/zinc/13/42/40/225134240.db2.gz LEZKSGAFEPKDPG-ZNMIVQPWSA-N 1 0 302.418 2.186 10 0 DEAERO NC(=O)[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000299746512 229388376 /nfs/dbraw/zinc/38/83/76/229388376.db2.gz XWOVEEQLVQVJTG-GHMZBOCLSA-N 1 0 306.715 2.436 10 0 DEAERO C[NH+](C)CCOc1ccc(NC(=O)NCc2cccnc2)cc1 ZINC000047606734 424827042 /nfs/dbraw/zinc/82/70/42/424827042.db2.gz MZKVVSRBIHCNEJ-UHFFFAOYSA-N 1 0 314.389 2.344 10 0 DEAERO O[C@@H](C[NH2+]CC[C@@H]1CCCO1)COCc1ccc(Cl)cc1 ZINC000038097150 424808465 /nfs/dbraw/zinc/80/84/65/424808465.db2.gz UNRRHFHIJQJZGM-HOTGVXAUSA-N 1 0 313.825 2.376 10 0 DEAERO c1cnn(CCCCC[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105884584 424849720 /nfs/dbraw/zinc/84/97/20/424849720.db2.gz SXAVNMYTWDQHPJ-INIZCTEOSA-N 1 0 302.426 2.057 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000111268231 424851781 /nfs/dbraw/zinc/85/17/81/424851781.db2.gz DKLPQXSVMSVJAX-VNHYZAJKSA-N 1 0 308.447 2.111 10 0 DEAERO CC(C)[N@H+](CCO)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000192928782 424866463 /nfs/dbraw/zinc/86/64/63/424866463.db2.gz YIQQDLWYRIOPOG-NSHDSACASA-N 1 0 322.232 2.436 10 0 DEAERO CC(C)N(Cc1ccccc1)C(=O)CN1CCC([NH+](C)C)CC1 ZINC000193808396 424871389 /nfs/dbraw/zinc/87/13/89/424871389.db2.gz PVSUXVCCEDLOCI-UHFFFAOYSA-N 1 0 317.477 2.450 10 0 DEAERO C[C@H](NC(=O)[C@H](C)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000193810950 424871535 /nfs/dbraw/zinc/87/15/35/424871535.db2.gz SBCWGGNHRGBPFH-GJZGRUSLSA-N 1 0 303.450 2.278 10 0 DEAERO c1coc(-c2noc(CN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000386969325 424912396 /nfs/dbraw/zinc/91/23/96/424912396.db2.gz XXXQQOPMIZSRTP-QWHCGFSZSA-N 1 0 302.378 2.294 10 0 DEAERO C[C@@H]1C[C@@H](C)N(C(=O)c2coc(Br)c2)C[C@@H]1C[NH3+] ZINC000397250222 424921254 /nfs/dbraw/zinc/92/12/54/424921254.db2.gz DCCSXZDCYKMVAB-KKZNHRDASA-N 1 0 315.211 2.488 10 0 DEAERO [NH3+]CC1(CCNC(=O)c2cc(Br)ccc2O)CC1 ZINC000404697238 424928226 /nfs/dbraw/zinc/92/82/26/424928226.db2.gz TVCNZCUTIKWGBS-UHFFFAOYSA-N 1 0 313.195 2.014 10 0 DEAERO CC[C@H](C)n1nc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1C ZINC000408113240 424933503 /nfs/dbraw/zinc/93/35/03/424933503.db2.gz UKMHVDGNEANNAF-CFVMTHIKSA-N 1 0 319.453 2.863 10 0 DEAERO CN1C(=O)[C@@H]2C[N@H+](Cc3ccccc3)[C@@H](C(C)(C)C)[C@H]2C1=O ZINC000409432575 424934990 /nfs/dbraw/zinc/93/49/90/424934990.db2.gz WAFDDGAFIVSKDW-QLFBSQMISA-N 1 0 300.402 2.148 10 0 DEAERO C[C@@H](O)C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@H](C)CO ZINC000248998238 424886662 /nfs/dbraw/zinc/88/66/62/424886662.db2.gz YFZYMFJFEXQIJW-ZIAGYGMSSA-N 1 0 323.433 2.206 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000309856726 424894056 /nfs/dbraw/zinc/89/40/56/424894056.db2.gz LLCUNGMVURLKPJ-XEZPLFJOSA-N 1 0 300.443 2.383 10 0 DEAERO COC(=O)c1cnc(NCCC[N@H+](C)Cc2ccccc2)cn1 ZINC000309792092 424894251 /nfs/dbraw/zinc/89/42/51/424894251.db2.gz PIUXXSPMKSLEHA-UHFFFAOYSA-N 1 0 314.389 2.197 10 0 DEAERO Clc1cc(OC[C@@H]2C[NH2+]CCO2)ccc1Br ZINC000313516214 424894892 /nfs/dbraw/zinc/89/48/92/424894892.db2.gz HPPMEECYLYUAIS-VIFPVBQESA-N 1 0 306.587 2.470 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000087087022 267391085 /nfs/dbraw/zinc/39/10/85/267391085.db2.gz DVYDXSCSKKEHLD-ZDUSSCGKSA-N 1 0 311.401 2.073 10 0 DEAERO O=C(NCc1cccc(Cl)c1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057074 425391652 /nfs/dbraw/zinc/39/16/52/425391652.db2.gz NEPDGZSNERTFRC-GHMZBOCLSA-N 1 0 306.715 2.354 10 0 DEAERO CCn1ccnc1[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1nccnc1C ZINC000658201546 425453947 /nfs/dbraw/zinc/45/39/47/425453947.db2.gz OEJRVVKXPDUNMH-IJEWVQPXSA-N 1 0 315.421 2.430 10 0 DEAERO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2nccn2C)c(C)n1 ZINC000658273162 425465245 /nfs/dbraw/zinc/46/52/45/425465245.db2.gz AAJHQLJTEIMLGV-HZUKXOBISA-N 1 0 315.421 2.255 10 0 DEAERO CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1OCC ZINC000194732971 268557819 /nfs/dbraw/zinc/55/78/19/268557819.db2.gz MAKGDUUGRVBDCB-AWEZNQCLSA-N 1 0 306.406 2.308 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000251648372 268617401 /nfs/dbraw/zinc/61/74/01/268617401.db2.gz IWRMKDNIEIWPKZ-XIRDDKMYSA-N 1 0 301.434 2.383 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000333288673 268920084 /nfs/dbraw/zinc/92/00/84/268920084.db2.gz NZYCOAXGTHHZFM-CYBMUJFWSA-N 1 0 303.406 2.294 10 0 DEAERO O=C(N[C@H]1CCOC2(CCCCC2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333372349 268934206 /nfs/dbraw/zinc/93/42/06/268934206.db2.gz MPRHZBPAZCVTQG-LSDHHAIUSA-N 1 0 309.454 2.310 10 0 DEAERO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000333456154 268948633 /nfs/dbraw/zinc/94/86/33/268948633.db2.gz OQYGNZVXYRDARK-CXUGXGMPSA-N 1 0 304.438 2.156 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCc2nnnn2CC1)c1nc2c(s1)CCCC2 ZINC000333681692 268976375 /nfs/dbraw/zinc/97/63/75/268976375.db2.gz FGNZGXYUKUVHEV-WDEREUQCSA-N 1 0 318.450 2.064 10 0 DEAERO Cc1nc(-c2cccnc2)nc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000333924924 269005094 /nfs/dbraw/zinc/00/50/94/269005094.db2.gz UAXMTWURFMFVHV-XHSDSOJGSA-N 1 0 309.417 2.329 10 0 DEAERO C[C@@H]1C[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)O1 ZINC000334026849 269008608 /nfs/dbraw/zinc/00/86/08/269008608.db2.gz HRDQKHODNRAFOL-LYNDAMRFSA-N 1 0 309.454 2.114 10 0 DEAERO CCc1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]1 ZINC000392375866 269099296 /nfs/dbraw/zinc/09/92/96/269099296.db2.gz OTLHTMQDXWOHQH-LBPRGKRZSA-N 1 0 323.441 2.104 10 0 DEAERO COC[C@@H](C[NH2+][C@H](C)c1ccc(Br)cn1)OC ZINC000516829975 269369494 /nfs/dbraw/zinc/36/94/94/269369494.db2.gz JVNQPJDSDMAUAB-MWLCHTKSSA-N 1 0 303.200 2.156 10 0 DEAERO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC000526086302 269503254 /nfs/dbraw/zinc/50/32/54/269503254.db2.gz BXRYDBOGQOOJGU-AGIUHOORSA-N 1 0 313.360 2.110 10 0 DEAERO Brc1ccc2c(c1)C=C(C[NH2+]CC1COC1)CO2 ZINC000527818276 269542466 /nfs/dbraw/zinc/54/24/66/269542466.db2.gz RMPOBSDHBFVFHN-UHFFFAOYSA-N 1 0 310.191 2.461 10 0 DEAERO COc1cccc2c1CC[N@H+](C[C@@H]1CCNC(=O)CC1)CC2 ZINC000450874421 274151324 /nfs/dbraw/zinc/15/13/24/274151324.db2.gz LWNNJFSIGFJOPD-AWEZNQCLSA-N 1 0 302.418 2.012 10 0 DEAERO CSc1nc2ncnc(N3CC[N@@H+]4CCCC[C@@H]4C3)c2s1 ZINC000301233163 274190053 /nfs/dbraw/zinc/19/00/53/274190053.db2.gz KHXBALJBHZRZFZ-SNVBAGLBSA-N 1 0 321.475 2.483 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247223727 276040867 /nfs/dbraw/zinc/04/08/67/276040867.db2.gz YTUHVZFATBMZEQ-DZKIICNBSA-N 1 0 306.454 2.349 10 0 DEAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000134431861 276105746 /nfs/dbraw/zinc/10/57/46/276105746.db2.gz LCFGRANSKRXDPA-UONOGXRCSA-N 1 0 304.438 2.020 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000173767315 276112364 /nfs/dbraw/zinc/11/23/64/276112364.db2.gz KOKHVKVASSCWDT-LBPRGKRZSA-N 1 0 318.421 2.423 10 0 DEAERO CC[N@H+](CCNS(=O)(=O)c1cccc(Cl)c1C)C1CC1 ZINC000102183966 276131209 /nfs/dbraw/zinc/13/12/09/276131209.db2.gz JMFKWOLBOWTQSM-UHFFFAOYSA-N 1 0 316.854 2.411 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000261940037 276161699 /nfs/dbraw/zinc/16/16/99/276161699.db2.gz UQDLGVYBTCTAEJ-INJPQVFBSA-N 1 0 314.429 2.191 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc(F)cc1F ZINC000177707522 276182881 /nfs/dbraw/zinc/18/28/81/276182881.db2.gz QDACNUYNBWVJNF-ZDUSSCGKSA-N 1 0 311.376 2.319 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1OCCc2ccccc21 ZINC000246344873 276376844 /nfs/dbraw/zinc/37/68/44/276376844.db2.gz VECAGOCHGDJJLR-DOTOQJQBSA-N 1 0 302.418 2.243 10 0 DEAERO CN(C)C(=O)Cc1ccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000261959558 276743691 /nfs/dbraw/zinc/74/36/91/276743691.db2.gz XMJDLYLPYFSNFL-INIZCTEOSA-N 1 0 317.433 2.034 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000116790299 276765605 /nfs/dbraw/zinc/76/56/05/276765605.db2.gz YJLIQLBTHLNQCX-YMVOSSCXSA-N 1 0 320.477 2.382 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000178707580 276773114 /nfs/dbraw/zinc/77/31/14/276773114.db2.gz AFFUXPIKMNERLO-UHFFFAOYSA-N 1 0 318.446 2.261 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000071140011 276783149 /nfs/dbraw/zinc/78/31/49/276783149.db2.gz LNPCDEPASOABNI-SNVBAGLBSA-N 1 0 315.186 2.364 10 0 DEAERO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000129302504 276802817 /nfs/dbraw/zinc/80/28/17/276802817.db2.gz WTMKTTJKEJNTIO-UKRRQHHQSA-N 1 0 303.406 2.103 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@]23CCc2ccccc23)n1 ZINC000263221643 277116542 /nfs/dbraw/zinc/11/65/42/277116542.db2.gz LXSXRUDPQYCDAJ-RKVPGOIHSA-N 1 0 310.401 2.017 10 0 DEAERO COCc1ccccc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113590638 277270987 /nfs/dbraw/zinc/27/09/87/277270987.db2.gz VHKKURPONQRSBG-WMLDXEAASA-N 1 0 317.433 2.211 10 0 DEAERO COC(=O)[C@H](NCC[C@@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000358848768 277384803 /nfs/dbraw/zinc/38/48/03/277384803.db2.gz KTZKDRQNJLMFLZ-RHSMWYFYSA-N 1 0 304.434 2.438 10 0 DEAERO COC1([C@H](C)[NH2+]CC[C@H]2COc3ccccc3O2)CCOCC1 ZINC000453136252 277473688 /nfs/dbraw/zinc/47/36/88/277473688.db2.gz BEMPHHCDRYKSHH-GJZGRUSLSA-N 1 0 321.417 2.390 10 0 DEAERO C[C@@H](O)CCC[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000450921700 277636305 /nfs/dbraw/zinc/63/63/05/277636305.db2.gz JPIIWGXYMXPNGU-WBVHZDCISA-N 1 0 300.402 2.340 10 0 DEAERO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000471685107 278088595 /nfs/dbraw/zinc/08/85/95/278088595.db2.gz ACAJNVUIENGGFH-NQBHXWOUSA-N 1 0 319.371 2.453 10 0 DEAERO CC(C)n1cc2c(n1)C[C@H](NC(=O)[C@H]1CCCC[C@]1(C)[NH3+])CC2 ZINC000262922891 278130061 /nfs/dbraw/zinc/13/00/61/278130061.db2.gz HDEYDRHBEFTOSD-RKVPGOIHSA-N 1 0 318.465 2.345 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(Cl)nn1 ZINC000294824074 278241706 /nfs/dbraw/zinc/24/17/06/278241706.db2.gz ABWDRPIFTHISEH-LBPRGKRZSA-N 1 0 318.808 2.380 10 0 DEAERO C[C@H]([NH2+]C[C@H]1Oc2ccccc2[C@H]1C)C1CCS(=O)(=O)CC1 ZINC000368281845 278265695 /nfs/dbraw/zinc/26/56/95/278265695.db2.gz OYJDTOHTGFGHOD-IIYDPXPESA-N 1 0 323.458 2.354 10 0 DEAERO C[C@H]1c2ccccc2O[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000117748517 278547687 /nfs/dbraw/zinc/54/76/87/278547687.db2.gz DRKHUOHUTAFTIJ-YVEFUNNKSA-N 1 0 300.402 2.294 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCOCC[C@@H]1C)c1ccco1 ZINC000374992464 279146240 /nfs/dbraw/zinc/14/62/40/279146240.db2.gz YMEUGONVAZYMHW-GJZGRUSLSA-N 1 0 323.437 2.483 10 0 DEAERO C[C@@](C[NH3+])(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000130361124 279148869 /nfs/dbraw/zinc/14/88/69/279148869.db2.gz OABBUYQZOCKDJL-LBPRGKRZSA-N 1 0 323.245 2.399 10 0 DEAERO O=C(C[C@H]1CSCC[NH2+]1)N1CCCC[C@H]1c1nccs1 ZINC000133672882 279796242 /nfs/dbraw/zinc/79/62/42/279796242.db2.gz SFKCUYCZRFWSEA-RYUDHWBXSA-N 1 0 311.476 2.292 10 0 DEAERO Cc1c2ccccc2oc(=O)c1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237792717 280271372 /nfs/dbraw/zinc/27/13/72/280271372.db2.gz GFLRODWRAFDDNV-CYBMUJFWSA-N 1 0 314.385 2.221 10 0 DEAERO Cc1cc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2C)c(C)o1 ZINC000290692497 280288683 /nfs/dbraw/zinc/28/86/83/280288683.db2.gz HYNLLKDJDVRTCD-FZMZJTMJSA-N 1 0 315.421 2.365 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000262395760 280516820 /nfs/dbraw/zinc/51/68/20/280516820.db2.gz BVNYBEIDATTWBK-OAHLLOKOSA-N 1 0 322.405 2.421 10 0 DEAERO Cc1ccc(-c2nnc(N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)n2C)o1 ZINC000290401744 280731672 /nfs/dbraw/zinc/73/16/72/280731672.db2.gz MDJGFPWEYXFYJY-OCCSQVGLSA-N 1 0 315.421 2.447 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(=O)OC)cc1 ZINC000174988003 281191960 /nfs/dbraw/zinc/19/19/60/281191960.db2.gz BOQFQPSGNHEJRP-JKSUJKDBSA-N 1 0 316.401 2.172 10 0 DEAERO CC1(C)CN([C@@H]2CCCN(c3ccccc3)C2=O)CC[C@@H]1[NH3+] ZINC000261601170 281261653 /nfs/dbraw/zinc/26/16/53/281261653.db2.gz AEDVDHPRFINCTH-CVEARBPZSA-N 1 0 301.434 2.241 10 0 DEAERO CCN(Cc1ccccc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000128704763 281892630 /nfs/dbraw/zinc/89/26/30/281892630.db2.gz MWPDNOWKGIWOFP-UHFFFAOYSA-N 1 0 319.449 2.331 10 0 DEAERO C[C@H](CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)[S@@](C)=O ZINC000129384892 281910779 /nfs/dbraw/zinc/91/07/79/281910779.db2.gz AEPYPICSRUVAPJ-SBKAZYGRSA-N 1 0 317.838 2.358 10 0 DEAERO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)C1CC[NH2+]CC1 ZINC000246992522 288393884 /nfs/dbraw/zinc/39/38/84/288393884.db2.gz YMLLMHRTXQQSQA-CPUCHLNUSA-N 1 0 302.418 2.363 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC[NH2+]1 ZINC000262551280 288749383 /nfs/dbraw/zinc/74/93/83/288749383.db2.gz SMJDYCRWJDHYMD-DZUCGIPZSA-N 1 0 302.418 2.411 10 0 DEAERO COC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)C1CC1 ZINC000157208727 292827908 /nfs/dbraw/zinc/82/79/08/292827908.db2.gz JZNMFHJOMWLISF-HZPDHXFCSA-N 1 0 305.422 2.014 10 0 DEAERO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172345941 289373515 /nfs/dbraw/zinc/37/35/15/289373515.db2.gz DGELBGVHSYFXOK-KONPQCLYSA-N 1 0 321.509 2.486 10 0 DEAERO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000231791495 289435810 /nfs/dbraw/zinc/43/58/10/289435810.db2.gz IYBVUUSOUGSVSP-RKDXNWHRSA-N 1 0 310.341 2.326 10 0 DEAERO C[C@H]([NH3+])CCC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000193197002 289768049 /nfs/dbraw/zinc/76/80/49/289768049.db2.gz CLMZJHJPFJIUER-RYUDHWBXSA-N 1 0 303.406 2.340 10 0 DEAERO CO[C@@H](C(=O)N1CCCC12CC[NH+](C)CC2)c1ccc(O)cc1 ZINC000408153423 293382487 /nfs/dbraw/zinc/38/24/87/293382487.db2.gz CAYQSBMZWGGKEU-MRXNPFEDSA-N 1 0 318.417 2.167 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CCC[C@H]2C)CC(=O)N1C ZINC000330199458 293733156 /nfs/dbraw/zinc/73/31/56/293733156.db2.gz VMGVDYZUPJCELE-IWCJZZDYSA-N 1 0 304.438 2.087 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1snnc1C(C)(C)C ZINC000189008800 297095917 /nfs/dbraw/zinc/09/59/17/297095917.db2.gz UCNKBJWKRWBZOR-GHMZBOCLSA-N 1 0 308.451 2.144 10 0 DEAERO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)CC1(CO)CC1 ZINC000186761858 298113423 /nfs/dbraw/zinc/11/34/23/298113423.db2.gz GWWGOWIIRLFHFQ-LSDHHAIUSA-N 1 0 316.445 2.447 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1C(F)(F)F ZINC000137076832 300314895 /nfs/dbraw/zinc/31/48/95/300314895.db2.gz VOFKMGOYHGFVSF-WDEREUQCSA-N 1 0 313.323 2.409 10 0 DEAERO Cc1cnc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(O)c1 ZINC000408368467 302332736 /nfs/dbraw/zinc/33/27/36/302332736.db2.gz IMBBYVVJFMWLII-AWEZNQCLSA-N 1 0 303.406 2.186 10 0 DEAERO NC(=O)CCCCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000187179339 303242648 /nfs/dbraw/zinc/24/26/48/303242648.db2.gz DRPUMILDROYGHI-CYBMUJFWSA-N 1 0 323.462 2.047 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCc3ncc(C)cc3C)[C@H]2C1 ZINC000573115502 326025418 /nfs/dbraw/zinc/02/54/18/326025418.db2.gz YBGGFZNBJXUSHC-JENIJYKNSA-N 1 0 315.461 2.478 10 0 DEAERO Brc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)nc1 ZINC000574005611 326113270 /nfs/dbraw/zinc/11/32/70/326113270.db2.gz VIWDMRYBHGCEIJ-SNVBAGLBSA-N 1 0 307.195 2.214 10 0 DEAERO C[C@H](CNC(=O)NCCOCC1CCC1)[N@@H+]1CCCC[C@H]1C ZINC000575037637 326211940 /nfs/dbraw/zinc/21/19/40/326211940.db2.gz RHTKMBAEHSUQEO-HUUCEWRRSA-N 1 0 311.470 2.365 10 0 DEAERO CC[C@@H]1CN(c2nc3c(cccc3F)o2)CC[N@@H+]1C[C@@H](C)O ZINC000577445703 326366044 /nfs/dbraw/zinc/36/60/44/326366044.db2.gz HEJNXLRFERBCLP-VXGBXAGGSA-N 1 0 307.369 2.248 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc(Br)cn1 ZINC000584270788 332178308 /nfs/dbraw/zinc/17/83/08/332178308.db2.gz BBZGZABVOXMDPL-HOTUBEGUSA-N 1 0 312.211 2.162 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccc(Br)cn1 ZINC000584270790 332178353 /nfs/dbraw/zinc/17/83/53/332178353.db2.gz 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518398361 /nfs/dbraw/zinc/39/83/61/518398361.db2.gz QUZAZMVYJKSLCX-BRWVUGGUSA-N 1 0 308.466 2.036 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000246173711 519523361 /nfs/dbraw/zinc/52/33/61/519523361.db2.gz GIFGDSNGSOYUPV-LSDHHAIUSA-N 1 0 321.469 2.021 10 0 DEAERO CC(C)[C@@H](O)CC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000158960666 519800253 /nfs/dbraw/zinc/80/02/53/519800253.db2.gz LAWGHCFPKBFRHE-KRWDZBQOSA-N 1 0 322.449 2.040 10 0 DEAERO CCCOc1ccc(OCC[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000103286386 520408927 /nfs/dbraw/zinc/40/89/27/520408927.db2.gz AIFQEROHJMDDEI-GJZGRUSLSA-N 1 0 320.433 2.440 10 0 DEAERO CCCC[C@H](COC)[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000157119931 521200709 /nfs/dbraw/zinc/20/07/09/521200709.db2.gz GLJDHEYNJPWDFH-ZBFHGGJFSA-N 1 0 305.422 2.372 10 0 DEAERO CCCCc1nc(CN2CC[N@H+](CCOCC)[C@H](CC)C2)no1 ZINC000106116643 521298371 /nfs/dbraw/zinc/29/83/71/521298371.db2.gz OENSYNKVBHZZIP-OAHLLOKOSA-N 1 0 324.469 2.345 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](COC)c2ccco2)[C@H](C)C1 ZINC000129844489 521718431 /nfs/dbraw/zinc/71/84/31/521718431.db2.gz GWMWBLZDKVOIKE-ILXRZTDVSA-N 1 0 323.437 2.339 10 0 DEAERO C[NH2+]C[C@H](C)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000237286674 522064003 /nfs/dbraw/zinc/06/40/03/522064003.db2.gz GNIOYRCXEXVMHU-HOCLYGCPSA-N 1 0 316.401 2.197 10 0 DEAERO CN(CCc1nccs1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000156614644 522090159 /nfs/dbraw/zinc/09/01/59/522090159.db2.gz CSWOZOKDEWTWHI-OAHLLOKOSA-N 1 0 317.458 2.317 10 0 DEAERO CC[C@@H]1CN(C(=O)Cc2ccccc2Cl)CC[N@@H+]1CCOC ZINC000117305615 523391298 /nfs/dbraw/zinc/39/12/98/523391298.db2.gz ZQOCVULURVOJCG-OAHLLOKOSA-N 1 0 324.852 2.452 10 0 DEAERO Cn1c2ccc(C[NH2+][C@@H]3CCCC[C@H]3CO)cc2sc1=O ZINC000328893080 534709493 /nfs/dbraw/zinc/70/94/93/534709493.db2.gz UGDFMXFAAOCXAF-QWHCGFSZSA-N 1 0 306.431 2.241 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C1CCC(C)CC1 ZINC000111865833 523823883 /nfs/dbraw/zinc/82/38/83/523823883.db2.gz 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524633702 /nfs/dbraw/zinc/63/37/02/524633702.db2.gz IYFWGXPYUGFDKU-KGLIPLIRSA-N 1 0 305.422 2.048 10 0 DEAERO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000364848275 524924763 /nfs/dbraw/zinc/92/47/63/524924763.db2.gz PTUGJECDRXSLBV-SUMWQHHRSA-N 1 0 320.408 2.126 10 0 DEAERO Cc1ccc(NC(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000245820364 525059348 /nfs/dbraw/zinc/05/93/48/525059348.db2.gz LMEDPGDBGUTZCY-VXGBXAGGSA-N 1 0 323.824 2.173 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000364241842 525077554 /nfs/dbraw/zinc/07/75/54/525077554.db2.gz HRKQPGIQYPLVBV-TZMCWYRMSA-N 1 0 302.374 2.114 10 0 DEAERO C[C@](C[NH3+])(NC(=O)c1cnn(-c2cccc(Cl)c2)c1)C1CC1 ZINC000237624116 525140882 /nfs/dbraw/zinc/14/08/82/525140882.db2.gz HVSOYQGQBIBZOG-MRXNPFEDSA-N 1 0 318.808 2.383 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)n[nH]c2C)cc1F ZINC000102699543 525146871 /nfs/dbraw/zinc/14/68/71/525146871.db2.gz UXQYDMWKBZOSDD-SECBINFHSA-N 1 0 320.368 2.464 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000247308701 525305596 /nfs/dbraw/zinc/30/55/96/525305596.db2.gz QJAAIRBVNGFWFR-IOASZLSFSA-N 1 0 315.417 2.011 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227064807 525782411 /nfs/dbraw/zinc/78/24/11/525782411.db2.gz YHOBOQNKAGUOLZ-JOYOIKCWSA-N 1 0 302.827 2.006 10 0 DEAERO COc1cccc(SCC(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000237299969 526245517 /nfs/dbraw/zinc/24/55/17/526245517.db2.gz PDBGPVVDZVKGJI-CYBMUJFWSA-N 1 0 308.447 2.293 10 0 DEAERO C[NH2+]C1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000261621509 536439663 /nfs/dbraw/zinc/43/96/63/536439663.db2.gz AEFFSTLGKUIQCZ-UHFFFAOYSA-N 1 0 315.870 2.044 10 0 DEAERO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccnn2-c2ccccc2)C1 ZINC000448330053 526646897 /nfs/dbraw/zinc/64/68/97/526646897.db2.gz BYLJWQWRJXQZPY-INIZCTEOSA-N 1 0 312.417 2.173 10 0 DEAERO Cc1nc(CN2CC[NH+](C[C@@H](C)Cc3ccccc3)CC2)no1 ZINC000132333818 526865055 /nfs/dbraw/zinc/86/50/55/526865055.db2.gz OOULFTBMDIGMJN-HNNXBMFYSA-N 1 0 314.433 2.374 10 0 DEAERO COc1ccc(C[C@@H](C)[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cc1 ZINC000362093984 536501111 /nfs/dbraw/zinc/50/11/11/536501111.db2.gz GOCJKDGBHUGUKY-FZKQIMNGSA-N 1 0 323.433 2.309 10 0 DEAERO COc1ccc(C[C@@H](C)[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cc1 ZINC000362093983 536503014 /nfs/dbraw/zinc/50/30/14/536503014.db2.gz GOCJKDGBHUGUKY-ACJLOTCBSA-N 1 0 323.433 2.309 10 0 DEAERO [NH3+]CCCCCCC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000237998866 527174690 /nfs/dbraw/zinc/17/46/90/527174690.db2.gz FCHAESRLMANTFG-INIZCTEOSA-N 1 0 317.433 2.207 10 0 DEAERO Cc1nccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)n1 ZINC000366456285 527328442 /nfs/dbraw/zinc/32/84/42/527328442.db2.gz FXVDQONUEFPDAD-UHFFFAOYSA-N 1 0 302.422 2.010 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000237908485 527542856 /nfs/dbraw/zinc/54/28/56/527542856.db2.gz ZSRZJNVRDTXWBJ-LZVAUXPFSA-N 1 0 306.356 2.468 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192625805 527836578 /nfs/dbraw/zinc/83/65/78/527836578.db2.gz QHJRLOJYXKKKJR-CQSZACIVSA-N 1 0 319.474 2.374 10 0 DEAERO CCO[C@H](C)c1noc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)n1 ZINC000328681224 528022632 /nfs/dbraw/zinc/02/26/32/528022632.db2.gz VBEUZEMJAHQDII-BFHYXJOUSA-N 1 0 308.426 2.226 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnc(C2CC2)nc1 ZINC000294973597 529201209 /nfs/dbraw/zinc/20/12/09/529201209.db2.gz QVYYNJHNJOJRGO-HNNXBMFYSA-N 1 0 302.422 2.348 10 0 DEAERO CC(C)c1nnc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)s1 ZINC000450875646 534974825 /nfs/dbraw/zinc/97/48/25/534974825.db2.gz FXWIUWRVKWAQKA-CYBMUJFWSA-N 1 0 324.494 2.347 10 0 DEAERO CC(C)C[NH+]1CCN(c2nc(Cl)nc(OC(C)C)n2)CC1 ZINC000061542721 535107280 /nfs/dbraw/zinc/10/72/80/535107280.db2.gz QIHNHCGJYZMYBL-UHFFFAOYSA-N 1 0 313.833 2.090 10 0 DEAERO CC1(C)CN(C(=O)Cc2cccc(OC(F)F)c2)CC[C@@H]1[NH3+] ZINC000262119174 535337032 /nfs/dbraw/zinc/33/70/32/535337032.db2.gz WEDIROXBVLDQBD-ZDUSSCGKSA-N 1 0 312.360 2.416 10 0 DEAERO CC1(C)CN(Cc2ncc(Br)s2)CC[C@H]1[NH3+] ZINC000261612534 535356978 /nfs/dbraw/zinc/35/69/78/535356978.db2.gz CFULLFHSHHGWON-MRVPVSSYSA-N 1 0 304.257 2.465 10 0 DEAERO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000262562888 535359386 /nfs/dbraw/zinc/35/93/86/535359386.db2.gz RAAIQRXIBDEFKV-GFCCVEGCSA-N 1 0 317.433 2.399 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)COCCc2ccccc2)CC1 ZINC000359492712 535446455 /nfs/dbraw/zinc/44/64/55/535446455.db2.gz JADKUOKIMZFMKE-UHFFFAOYSA-N 1 0 318.461 2.484 10 0 DEAERO CCN(CC)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000193438113 535458985 /nfs/dbraw/zinc/45/89/85/535458985.db2.gz JKDUZSJGQNHYBV-WFASDCNBSA-N 1 0 311.376 2.462 10 0 DEAERO CCOc1ccccc1NC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262529275 535523317 /nfs/dbraw/zinc/52/33/17/535523317.db2.gz PGIUUDKGCHPFJO-OAHLLOKOSA-N 1 0 305.422 2.083 10 0 DEAERO CCOC(=O)[C@H](c1cccc(Cl)c1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193631467 535663949 /nfs/dbraw/zinc/66/39/49/535663949.db2.gz UBOBENXEXVHMMV-LZWOXQAQSA-N 1 0 322.836 2.438 10 0 DEAERO C[NH+](C)CCCCCCCNC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190636692 535826449 /nfs/dbraw/zinc/82/64/49/535826449.db2.gz HIJFICLAHXHQOB-BZUAXINKSA-N 1 0 311.470 2.365 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@H](C)c2cccc(F)c2)CC[N@@H+]1C[C@H](C)O ZINC000247014649 535836720 /nfs/dbraw/zinc/83/67/20/535836720.db2.gz WKIFFASWJGSQLK-JJRVBVJISA-N 1 0 322.424 2.233 10 0 DEAERO CCc1noc(C)c1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000455013843 535881456 /nfs/dbraw/zinc/88/14/56/535881456.db2.gz QOSOTVGHLSUWLI-UHFFFAOYSA-N 1 0 322.453 2.467 10 0 DEAERO CCn1nnc(C)c1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000449132029 535917483 /nfs/dbraw/zinc/91/74/83/535917483.db2.gz RGDYCGTYZBEFDU-LBPRGKRZSA-N 1 0 318.421 2.344 10 0 DEAERO CN(C(=O)CN(CC[NH3+])CCc1ccccc1)C1CCCCC1 ZINC000261841934 535982860 /nfs/dbraw/zinc/98/28/60/535982860.db2.gz WTMMEVNQPUSJOL-UHFFFAOYSA-N 1 0 317.477 2.281 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cccc(COC)c1 ZINC000249133805 536165629 /nfs/dbraw/zinc/16/56/29/536165629.db2.gz GBWIHCDVJSLZKJ-ROUUACIJSA-N 1 0 316.445 2.461 10 0 DEAERO C[NH+]1CCC(CC(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC000362890484 536335967 /nfs/dbraw/zinc/33/59/67/536335967.db2.gz GEKGWIGSFVRRST-AWEZNQCLSA-N 1 0 310.438 2.051 10 0 DEAERO CN(CCC[NH+]1CCCC1)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360493859 536345787 /nfs/dbraw/zinc/34/57/87/536345787.db2.gz ZJDYAVHADXFEJP-UHFFFAOYSA-N 1 0 315.421 2.190 10 0 DEAERO C[NH2+][C@@H]1CCCN(Cc2cc3c(cc2SC)OCCO3)C1 ZINC000261984204 536362416 /nfs/dbraw/zinc/36/24/16/536362416.db2.gz JORYYXKIMLPGEF-CYBMUJFWSA-N 1 0 308.447 2.364 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)C2(C)COC2)[C@@H]1c1cccs1 ZINC000372932064 536386222 /nfs/dbraw/zinc/38/62/22/536386222.db2.gz VVFQZPZGTMWRFL-TZMCWYRMSA-N 1 0 308.447 2.284 10 0 DEAERO C[NH2+][C@H](C)CNC(=O)c1ccc(F)cc1NC(=O)c1ccoc1 ZINC000261828500 536400717 /nfs/dbraw/zinc/40/07/17/536400717.db2.gz VDWZVJUWBJVPAZ-SNVBAGLBSA-N 1 0 319.336 2.009 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000261609842 536404955 /nfs/dbraw/zinc/40/49/55/536404955.db2.gz AQDVCRFXEDHNTM-SECBINFHSA-N 1 0 301.325 2.416 10 0 DEAERO C[NH2+][C@H](C)Cc1noc([C@H](NC(=O)c2ccccc2)C(C)C)n1 ZINC000261907338 536406144 /nfs/dbraw/zinc/40/61/44/536406144.db2.gz ZEYZCPPSGFTMFP-IUODEOHRSA-N 1 0 316.405 2.347 10 0 DEAERO COc1ccc(Cl)cc1NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247105967 536575989 /nfs/dbraw/zinc/57/59/89/536575989.db2.gz IQVQQQWDDMPIQZ-ZDUSSCGKSA-N 1 0 323.824 2.067 10 0 DEAERO CO[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1ccc(F)cc1 ZINC000262458771 536634261 /nfs/dbraw/zinc/63/42/61/536634261.db2.gz WWIYPGRHEKIQAF-YXJHDRRASA-N 1 0 320.408 2.409 10 0 DEAERO COC(=O)c1ccc(F)c(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000237115605 536717936 /nfs/dbraw/zinc/71/79/36/536717936.db2.gz VNFOEQYAJHMRCT-DGFSRKRXSA-N 1 0 320.364 2.472 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)Nc1cccc2c1OCCC2 ZINC000374560967 536789852 /nfs/dbraw/zinc/78/98/52/536789852.db2.gz 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625387283 /nfs/dbraw/zinc/38/72/83/625387283.db2.gz SRMFPQQJRBZFPT-OAHLLOKOSA-N 1 0 306.406 2.303 10 0 DEAERO COC(=O)N1CC([NH2+][C@@H](Cc2ccccc2OC)C(C)C)C1 ZINC000181462727 625387455 /nfs/dbraw/zinc/38/74/55/625387455.db2.gz SRMFPQQJRBZFPT-HNNXBMFYSA-N 1 0 306.406 2.303 10 0 DEAERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Br)cc3)C[C@H]2C1 ZINC000311547064 625405252 /nfs/dbraw/zinc/40/52/52/625405252.db2.gz OSZMXNVSBNSZQC-CHWSQXEVSA-N 1 0 323.234 2.473 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1cccn1Cc1ccncc1 ZINC000725905896 625576130 /nfs/dbraw/zinc/57/61/30/625576130.db2.gz GXHHSRXUBSIPSJ-UHFFFAOYSA-N 1 0 300.406 2.003 10 0 DEAERO CC(C)(C)OC(=O)N(CC(C)(C)CO)c1ccc(C[NH3+])nc1 ZINC000757135474 623084345 /nfs/dbraw/zinc/08/43/45/623084345.db2.gz UALMSBOIEFOLFH-UHFFFAOYSA-N 1 0 309.410 2.300 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(N2CCCC2=O)cc1 ZINC000177766798 623895569 /nfs/dbraw/zinc/89/55/69/623895569.db2.gz GZKOACSVHWQALH-CYBMUJFWSA-N 1 0 317.433 2.379 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)Cc2csc(C[NH3+])n2)cc1 ZINC000071696281 624141559 /nfs/dbraw/zinc/14/15/59/624141559.db2.gz NUJVHWRGXLNEIW-SNVBAGLBSA-N 1 0 305.403 2.030 10 0 DEAERO CO[C@H](C)C(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000121833676 624928517 /nfs/dbraw/zinc/92/85/17/624928517.db2.gz TWYOUNNGCGLUCF-CQSZACIVSA-N 1 0 307.390 2.492 10 0 DEAERO COC1(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)CCCCC1 ZINC000187585614 625146749 /nfs/dbraw/zinc/14/67/49/625146749.db2.gz SCZFOJJRCNXYBJ-OAHLLOKOSA-N 1 0 313.438 2.236 10 0 DEAERO C[NH2+][C@H](C)CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000312793707 625782867 /nfs/dbraw/zinc/78/28/67/625782867.db2.gz GDRUDWYQFAURCG-SSDOTTSWSA-N 1 0 314.304 2.139 10 0 DEAERO CC[C@H](C1=CCC[N@H+](CCc2c(C)n[nH]c2C)C1)N(C)C(C)=O ZINC000067723779 634887780 /nfs/dbraw/zinc/88/77/80/634887780.db2.gz DKPYSFGFHHQMQT-GOSISDBHSA-N 1 0 318.465 2.458 10 0 DEAERO [NH3+][C@@H]1CCCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000036297272 636024828 /nfs/dbraw/zinc/02/48/28/636024828.db2.gz OZMUEAQWCUBWDK-BUUCAEBMSA-N 1 0 300.811 2.064 10 0 DEAERO C[C@@H]1Oc2ccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)cc2NC1=O ZINC000261935750 636817614 /nfs/dbraw/zinc/81/76/14/636817614.db2.gz TZMVBYGCISIQII-HZMBPMFUSA-N 1 0 317.389 2.123 10 0 DEAERO C[NH+](C)CCn1cc(NC(=O)Nc2cnn(C(C)(C)C)c2)cn1 ZINC000747554047 638449250 /nfs/dbraw/zinc/44/92/50/638449250.db2.gz CFZCUDZGTLXYJL-UHFFFAOYSA-N 1 0 319.413 2.040 10 0 DEAERO C[C@@H](CO)C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000751579748 639096024 /nfs/dbraw/zinc/09/60/24/639096024.db2.gz IDBIYSRSKDPHIZ-ZWNOBZJWSA-N 1 0 302.212 2.043 10 0 DEAERO CCOC(=O)[C@@H](CC1CC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000752385048 639178700 /nfs/dbraw/zinc/17/87/00/639178700.db2.gz DWKZCBYOIFOBEW-UKRRQHHQSA-N 1 0 310.438 2.099 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000800697460 645298229 /nfs/dbraw/zinc/29/82/29/645298229.db2.gz UMRWKDIAZPVYJT-HNNXBMFYSA-N 1 0 309.841 2.448 10 0 DEAERO C[N@H+](Cc1ccc([Si](C)(C)C)cc1)C1(CO)CCOCC1 ZINC000801950060 645468151 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COC[C@H](C)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000045695855 646522509 /nfs/dbraw/zinc/52/25/09/646522509.db2.gz FETJGOYAVZTARH-MFKMUULPSA-N 1 0 302.212 2.355 10 0 DEAERO CCOCCO[C@H]1CC[N@H+](C[C@@H](O)c2cc(C)cc(C)c2)C1 ZINC000157729661 646558463 /nfs/dbraw/zinc/55/84/63/646558463.db2.gz LFJCLHSUCDYCSX-ZWKOTPCHSA-N 1 0 307.434 2.464 10 0 DEAERO COC(OC)[C@@H](C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000226367605 646569208 /nfs/dbraw/zinc/56/92/08/646569208.db2.gz RENXCQJVDMDHCW-GFCCVEGCSA-N 1 0 316.442 2.231 10 0 DEAERO CCOCCOC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000157883979 646574728 /nfs/dbraw/zinc/57/47/28/646574728.db2.gz SLIHSPOMDDDXBH-UHFFFAOYSA-N 1 0 306.406 2.022 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000075712364 646704334 /nfs/dbraw/zinc/70/43/34/646704334.db2.gz HZNALMYYOHFDGB-DOTOQJQBSA-N 1 0 305.418 2.422 10 0 DEAERO C[C@@H](O)C1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000172801899 646752036 /nfs/dbraw/zinc/75/20/36/646752036.db2.gz CUNJZQCFLDKRJO-KGLIPLIRSA-N 1 0 312.454 2.336 10 0 DEAERO Cc1ccc(N2CCC[C@H](N3CC[N@@H+]4CCC[C@@H]4C3)C2=O)cc1 ZINC000173702286 646777946 /nfs/dbraw/zinc/77/79/46/646777946.db2.gz SWKAXKKEZIFXST-MSOLQXFVSA-N 1 0 313.445 2.270 10 0 DEAERO CC1(C)CCC(=CC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000151566859 646937989 /nfs/dbraw/zinc/93/79/89/646937989.db2.gz SJEUQBCFTGOGFY-INIZCTEOSA-N 1 0 308.466 2.476 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1cnc2cc(F)c(F)cc21 ZINC000153200483 647382790 /nfs/dbraw/zinc/38/27/90/647382790.db2.gz BVOBTBRCBMQGPN-NWDGAFQWSA-N 1 0 306.360 2.441 10 0 DEAERO CCc1cc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)[nH]n1 ZINC000732790147 647661341 /nfs/dbraw/zinc/66/13/41/647661341.db2.gz ASHAXXDVPOALHH-UHFFFAOYSA-N 1 0 312.417 2.498 10 0 DEAERO CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]Cc1[nH]ncc1C ZINC000850354425 647874047 /nfs/dbraw/zinc/87/40/47/647874047.db2.gz HFHUUBLKZVEZFQ-XJKSGUPXSA-N 1 0 303.410 2.192 10 0 DEAERO CCCCC[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)C(C)(C)C ZINC000179917886 648437537 /nfs/dbraw/zinc/43/75/37/648437537.db2.gz XUANCKPYQLOCKQ-CVEARBPZSA-N 1 0 300.487 2.264 10 0 DEAERO Cc1cc(N2CCN(c3ccc(Cl)cc3)CC2)nc(N)[nH+]1 ZINC000069001645 648520829 /nfs/dbraw/zinc/52/08/29/648520829.db2.gz DEVAXUIHHONADC-UHFFFAOYSA-N 1 0 303.797 2.347 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)/C=C/c1cncc(O)c1)c1ccccc1 ZINC000181836545 648761522 /nfs/dbraw/zinc/76/15/22/648761522.db2.gz VJEMPFQQXLDYGQ-KBOKABMXSA-N 1 0 311.385 2.220 10 0 DEAERO CCc1ccc2c(C[NH2+][C@@H](C(=O)NC)C(C)C)cc(=O)oc2c1 ZINC000183673332 649131822 /nfs/dbraw/zinc/13/18/22/649131822.db2.gz LSSHMVYWVUNEKS-QGZVFWFLSA-N 1 0 316.401 2.216 10 0 DEAERO Cc1noc([C@@]2(O)CC[N@H+](CCc3ccc(Cl)cc3)C2)n1 ZINC000829243772 649286726 /nfs/dbraw/zinc/28/67/26/649286726.db2.gz KBHKJTNOHWSKJJ-OAHLLOKOSA-N 1 0 307.781 2.167 10 0 DEAERO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185306501 649494415 /nfs/dbraw/zinc/49/44/15/649494415.db2.gz OTTIUIQFKOSXDS-WDEREUQCSA-N 1 0 311.769 2.382 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC000073185467 649654720 /nfs/dbraw/zinc/65/47/20/649654720.db2.gz AHJGHBPENCWQBF-WBVHZDCISA-N 1 0 321.417 2.354 10 0 DEAERO Cc1noc(C)c1CCC(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000073188492 649659553 /nfs/dbraw/zinc/65/95/53/649659553.db2.gz ZKOIWEZMKUOANA-OAHLLOKOSA-N 1 0 324.421 2.124 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000382906671 685405720 /nfs/dbraw/zinc/40/57/20/685405720.db2.gz JHUYAGQUNNHPHP-FELDNQHXSA-N 1 0 314.838 2.310 10 0 DEAERO CN(C1(C[NH3+])CCC1)S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000385341274 685414086 /nfs/dbraw/zinc/41/40/86/685414086.db2.gz MKIGNTXLEYOIRB-YFHOEESVSA-N 1 0 314.838 2.454 10 0 DEAERO Cc1noc(CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)n1 ZINC000396515481 685461925 /nfs/dbraw/zinc/46/19/25/685461925.db2.gz ARDQPFOWEYEVIV-WCQYABFASA-N 1 0 324.425 2.298 10 0 DEAERO Cc1noc(CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)n1 ZINC000396515482 685462159 /nfs/dbraw/zinc/46/21/59/685462159.db2.gz ARDQPFOWEYEVIV-YPMHNXCESA-N 1 0 324.425 2.298 10 0 DEAERO CC[NH+](CC)C[C@@H]1CCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000076002765 683939610 /nfs/dbraw/zinc/93/96/10/683939610.db2.gz ZPFLYPMASYKUNN-INIZCTEOSA-N 1 0 313.449 2.431 10 0 DEAERO CC[NH+](CC)C[C@H]1CCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000076002768 683939647 /nfs/dbraw/zinc/93/96/47/683939647.db2.gz ZPFLYPMASYKUNN-MRXNPFEDSA-N 1 0 313.449 2.431 10 0 DEAERO O=C(NCC[NH+]1CCCCC1)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000083018757 683996498 /nfs/dbraw/zinc/99/64/98/683996498.db2.gz OPSPMPPIGYUQDL-IAGOWNOFSA-N 1 0 317.433 2.302 10 0 DEAERO CCCNC(=[NH2+])NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000087002016 684013472 /nfs/dbraw/zinc/01/34/72/684013472.db2.gz DSALYFDPBNVBJZ-CQSZACIVSA-N 1 0 305.422 2.225 10 0 DEAERO Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000093991234 684052014 /nfs/dbraw/zinc/05/20/14/684052014.db2.gz LJDGKGGJJWKJSK-CHWSQXEVSA-N 1 0 317.389 2.384 10 0 DEAERO Cc1noc(C)c1[C@@H](C)C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000119290190 684079074 /nfs/dbraw/zinc/07/90/74/684079074.db2.gz QLDZXPPQIULDRB-IUODEOHRSA-N 1 0 324.421 2.295 10 0 DEAERO CC[C@@](C)(O)C[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000123689356 684127669 /nfs/dbraw/zinc/12/76/69/684127669.db2.gz QAQPCQYNNHFJHT-QGZVFWFLSA-N 1 0 306.406 2.102 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000129314088 684178113 /nfs/dbraw/zinc/17/81/13/684178113.db2.gz KBVOLFXRCQQSEH-NOZJJQNGSA-N 1 0 317.216 2.143 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(SC(F)F)cc2)CCOCC1 ZINC000135289605 684234335 /nfs/dbraw/zinc/23/43/35/684234335.db2.gz FILNOZYVWHBARZ-UHFFFAOYSA-N 1 0 302.346 2.448 10 0 DEAERO c1nn(-c2ccccc2)nc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159582937 684316552 /nfs/dbraw/zinc/31/65/52/684316552.db2.gz BDQXTFZFEQJNRP-BBWFWOEESA-N 1 0 310.401 2.315 10 0 DEAERO COC(=O)c1nn(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c2ccccc21 ZINC000190192060 684397924 /nfs/dbraw/zinc/39/79/24/684397924.db2.gz GTEQGVBPCFBGQV-WFASDCNBSA-N 1 0 317.389 2.137 10 0 DEAERO C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000190664921 684411759 /nfs/dbraw/zinc/41/17/59/684411759.db2.gz ISDIGLOMNKGERD-PBHICJAKSA-N 1 0 317.433 2.192 10 0 DEAERO C=CCc1cc(OCC)cc(C[N@@H+]2CCCNC(=O)[C@H]2C)c1O ZINC000190713363 684412109 /nfs/dbraw/zinc/41/21/09/684412109.db2.gz XZBJTTWDTGCRBD-CYBMUJFWSA-N 1 0 318.417 2.230 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCSC(C)(C)C)C[C@@H]1C ZINC000245518434 685113524 /nfs/dbraw/zinc/11/35/24/685113524.db2.gz AQUCEMPZANUOKA-KBPBESRZSA-N 1 0 316.511 2.212 10 0 DEAERO C[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)C1=O ZINC000246452644 685130396 /nfs/dbraw/zinc/13/03/96/685130396.db2.gz XUMMEEOLUVNGAP-ZWKOTPCHSA-N 1 0 317.433 2.487 10 0 DEAERO COCCOC[C@@H]1CC[N@H+](C[C@@H](O)c2cc(C)cc(C)c2)C1 ZINC000247461608 685148650 /nfs/dbraw/zinc/14/86/50/685148650.db2.gz ILMUHIFAUGNBLR-SJLPKXTDSA-N 1 0 307.434 2.322 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248749683 685166810 /nfs/dbraw/zinc/16/68/10/685166810.db2.gz BUYJAORCVWUDOS-HYVNUMGLSA-N 1 0 303.402 2.477 10 0 DEAERO C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251573576 685191409 /nfs/dbraw/zinc/19/14/09/685191409.db2.gz VAWGPPOZRWFEOB-RYUDHWBXSA-N 1 0 316.854 2.415 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251844694 685191909 /nfs/dbraw/zinc/19/19/09/685191909.db2.gz QVELPETZVOISQW-APPRXGMUSA-N 1 0 314.838 2.310 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N(C)C2(C[NH3+])CCC2)c1C ZINC000722594604 776539239 /nfs/dbraw/zinc/53/92/39/776539239.db2.gz VAKWHOYKSCPAEM-UHFFFAOYSA-N 1 0 302.465 2.175 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000722600287 776547816 /nfs/dbraw/zinc/54/78/16/776547816.db2.gz KZOAYELYCPLUTN-MFKMUULPSA-N 1 0 316.492 2.421 10 0 DEAERO C[C@@H](Cc1cccc(F)c1)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723878949 777198354 /nfs/dbraw/zinc/19/83/54/777198354.db2.gz HHTHUEGWBMEWEN-LBPRGKRZSA-N 1 0 301.427 2.417 10 0 DEAERO Cc1nc([C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c(C)s1 ZINC000723882905 777200466 /nfs/dbraw/zinc/20/04/66/777200466.db2.gz MLLPRBLGBQXOFD-SECBINFHSA-N 1 0 304.481 2.481 10 0 DEAERO C[C@](O)(C[NH2+]C[C@H]1CCCC[C@@H]1O)C(F)(F)C(F)(F)F ZINC000724040176 777226718 /nfs/dbraw/zinc/22/67/18/777226718.db2.gz GEJXFRUFZNCHLJ-UTLUCORTSA-N 1 0 305.287 2.076 10 0 DEAERO C[C@](O)(C[N@@H+]1CCC[C@@H](CO)CC1)C(F)(F)C(F)(F)F ZINC000724041297 777229004 /nfs/dbraw/zinc/22/90/04/777229004.db2.gz NGCWVMDLZJTNAO-ZJUUUORDSA-N 1 0 305.287 2.029 10 0 DEAERO C[C@](O)(C[NH2+]CCOC1CCCC1)C(F)(F)C(F)(F)F ZINC000724042835 777229619 /nfs/dbraw/zinc/22/96/19/777229619.db2.gz RWUJKHJQFIUFQV-JTQLQIEISA-N 1 0 305.287 2.484 10 0 DEAERO C[C@@](O)(C[NH2+]C[C@@H](O)c1ccsc1)C(F)(F)C(F)(F)F ZINC000724056612 777232362 /nfs/dbraw/zinc/23/23/62/777232362.db2.gz FPOAHKOQCXYSER-RKDXNWHRSA-N 1 0 319.295 2.320 10 0 DEAERO CC[C@@]1(O)CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724060304 777233556 /nfs/dbraw/zinc/23/35/56/777233556.db2.gz UMAXAHWFCWJCMQ-NXEZZACHSA-N 1 0 305.287 2.172 10 0 DEAERO CCOC[C@H]1CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724113660 777243868 /nfs/dbraw/zinc/24/38/68/777243868.db2.gz GAAOOZWSTJBOBC-VHSXEESVSA-N 1 0 305.287 2.293 10 0 DEAERO C[C@H]([NH3+])CCC(=O)N=c1sccn1Cc1ccccc1F ZINC000588595299 777568128 /nfs/dbraw/zinc/56/81/28/777568128.db2.gz VPSCBOYVFLOENR-NSHDSACASA-N 1 0 307.394 2.292 10 0 DEAERO OCC[C@H]([NH2+]C[C@H](O)COCc1ccccc1)C1CCCC1 ZINC000725104923 777586887 /nfs/dbraw/zinc/58/68/87/777586887.db2.gz MIXROPHUJQTZSB-ROUUACIJSA-N 1 0 307.434 2.095 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000725112055 777588223 /nfs/dbraw/zinc/58/82/23/777588223.db2.gz FECOLUQQMTVWJC-UHFFFAOYSA-N 1 0 302.465 2.305 10 0 DEAERO CSCc1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1 ZINC000725121629 777599027 /nfs/dbraw/zinc/59/90/27/777599027.db2.gz YWNZAADGXLRHIW-UHFFFAOYSA-N 1 0 301.477 2.462 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1C ZINC000722571399 778791449 /nfs/dbraw/zinc/79/14/49/778791449.db2.gz SOTUOPHCUIOGLC-NWDGAFQWSA-N 1 0 302.465 2.079 10 0 DEAERO Cc1n[nH]cc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721850088 780347491 /nfs/dbraw/zinc/34/74/91/780347491.db2.gz QOCKVZJQHACTNM-CYBMUJFWSA-N 1 0 308.426 2.453 10 0 DEAERO CO[C@]1(C[NH2+]C(CC(C)C)CC(C)C)CCS(=O)(=O)C1 ZINC000721256984 780987821 /nfs/dbraw/zinc/98/78/21/780987821.db2.gz APEYINQCEPLETQ-HNNXBMFYSA-N 1 0 305.484 2.241 10 0 DEAERO Cn1ccnc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721850792 787323557 /nfs/dbraw/zinc/32/35/57/787323557.db2.gz SKOXTADPWVPOPC-LBPRGKRZSA-N 1 0 308.426 2.155 10 0 DEAERO C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000722265408 787327354 /nfs/dbraw/zinc/32/73/54/787327354.db2.gz HEGQGBJTSIPHQW-QLFBSQMISA-N 1 0 311.470 2.316 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1C ZINC000722567040 787334072 /nfs/dbraw/zinc/33/40/72/787334072.db2.gz KSUHIUKXYKRNCU-BDAKNGLRSA-N 1 0 302.465 2.044 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CC[C@@H](O)C(F)F)C1 ZINC000724082468 787349143 /nfs/dbraw/zinc/34/91/43/787349143.db2.gz NQUYDNIKSXOOSH-GRYCIOLGSA-N 1 0 322.396 2.286 10 0 DEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1coc(Br)c1 ZINC000393928161 787437222 /nfs/dbraw/zinc/43/72/22/787437222.db2.gz FJTIVESORYCAAJ-SNVBAGLBSA-N 1 0 303.200 2.358 10 0 DEAERO Cn1cc(C[NH2+]C[C@@H]2Cc3ccccc3O2)c(Br)n1 ZINC000712393676 792186083 /nfs/dbraw/zinc/18/60/83/792186083.db2.gz FQFUWEWNEPRHPB-LBPRGKRZSA-N 1 0 322.206 2.276 10 0 DEAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cnn(C)c1Cl ZINC000712419753 792187026 /nfs/dbraw/zinc/18/70/26/792187026.db2.gz BVXVKTRUUDYSGL-VHSXEESVSA-N 1 0 316.833 2.465 10 0 DEAERO CC[NH2+]CC1CCN(Cc2cn(C)nc2Br)CC1 ZINC000712423257 792187610 /nfs/dbraw/zinc/18/76/10/792187610.db2.gz MGJHHOXTOJNWFS-UHFFFAOYSA-N 1 0 315.259 2.004 10 0 DEAERO Cn1cc(C[NH2+]C2Cc3ccccc3C2)c(Br)n1 ZINC000712429387 792187655 /nfs/dbraw/zinc/18/76/55/792187655.db2.gz AUHUKACQQGLUAQ-UHFFFAOYSA-N 1 0 306.207 2.440 10 0 DEAERO C[C@@H](O)CC(C)(C)C[NH2+]Cc1cn(C)nc1Br ZINC000712479101 792190613 /nfs/dbraw/zinc/19/06/13/792190613.db2.gz FWGRQRBMIKQWAX-SECBINFHSA-N 1 0 304.232 2.069 10 0 DEAERO COCCC(C)(C)C[NH2+]Cc1cn(C)nc1Br ZINC000712495838 792191045 /nfs/dbraw/zinc/19/10/45/792191045.db2.gz JVWRBAKJINCTKN-UHFFFAOYSA-N 1 0 304.232 2.335 10 0 DEAERO CN1CC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000712573097 792201795 /nfs/dbraw/zinc/20/17/95/792201795.db2.gz QSZDFXAJRZSUNB-XGUBFFRZSA-N 1 0 309.454 2.068 10 0 DEAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000713002854 792212485 /nfs/dbraw/zinc/21/24/85/792212485.db2.gz JAFFRARIHGMYSX-QGZVFWFLSA-N 1 0 317.477 2.340 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713875863 792245016 /nfs/dbraw/zinc/24/50/16/792245016.db2.gz XEZRIGYLTRATCU-PWSUYJOCSA-N 1 0 317.216 2.316 10 0 DEAERO Cc1nc(C)c([C@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)s1 ZINC000714335094 792308795 /nfs/dbraw/zinc/30/87/95/792308795.db2.gz OXMXQZYXOQFAMD-CABZTGNLSA-N 1 0 302.465 2.378 10 0 DEAERO CO[C@H]1C[C@H](C[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000714613060 792320904 /nfs/dbraw/zinc/32/09/04/792320904.db2.gz HRXPPXIDDBEMCD-ULQDDVLXSA-N 1 0 318.417 2.412 10 0 DEAERO CCC1([NH3+])CCN(Cc2c(Br)c(C)nn2C)CC1 ZINC000714753817 792335679 /nfs/dbraw/zinc/33/56/79/792335679.db2.gz HWBIVAHFSVFGOD-UHFFFAOYSA-N 1 0 315.259 2.194 10 0 DEAERO CCn1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)nn1 ZINC000714946171 792360674 /nfs/dbraw/zinc/36/06/74/792360674.db2.gz BGDSRKVFTZBEOQ-OLZOCXBDSA-N 1 0 323.441 2.081 10 0 DEAERO O=C(CC[C@H]1CCC[NH2+]1)NCc1ncc(Br)s1 ZINC000714949254 792375313 /nfs/dbraw/zinc/37/53/13/792375313.db2.gz CCMANCDRHQDSBV-MRVPVSSYSA-N 1 0 318.240 2.054 10 0 DEAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]C2COC(C)(C)OC2)C1 ZINC000715077366 792381311 /nfs/dbraw/zinc/38/13/11/792381311.db2.gz OVOXULDLDMYLCY-UHFFFAOYSA-N 1 0 314.426 2.031 10 0 DEAERO CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715171010 792402765 /nfs/dbraw/zinc/40/27/65/792402765.db2.gz SWNQKEKGFSEKID-KWQFWETISA-N 1 0 303.740 2.185 10 0 DEAERO Cc1cc(C(=O)NC23CC[NH+](CC2)C3)ccc1Br ZINC000715502635 792469419 /nfs/dbraw/zinc/46/94/19/792469419.db2.gz SWHBBLZHRDHLSF-UHFFFAOYSA-N 1 0 309.207 2.336 10 0 DEAERO O=C(NC12CC[NH+](CC1)C2)c1c(F)cccc1Br ZINC000715503306 792471773 /nfs/dbraw/zinc/47/17/73/792471773.db2.gz WYHZNMAMTNLZLW-UHFFFAOYSA-N 1 0 313.170 2.166 10 0 DEAERO Nc1nc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)nc(C2CC2)n1 ZINC000715694959 792506264 /nfs/dbraw/zinc/50/62/64/792506264.db2.gz HKFORDABSQFSMX-AWEZNQCLSA-N 1 0 310.405 2.018 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C2CC(S(C)(=O)=O)C2)cc1F ZINC000716141087 792556549 /nfs/dbraw/zinc/55/65/49/792556549.db2.gz ZPEMFJXONRROHV-GCVQQVDUSA-N 1 0 301.383 2.061 10 0 DEAERO CCN(C)C(=O)CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716731287 793003543 /nfs/dbraw/zinc/00/35/43/793003543.db2.gz CPVUPBUTDZYXJQ-BZSNNMDCSA-N 1 0 315.461 2.107 10 0 DEAERO C[C@H]([NH2+]CC[C@H](O)C(F)F)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000716767144 793007242 /nfs/dbraw/zinc/00/72/42/793007242.db2.gz XOANRAGCJHOHFI-SRVKXCTJSA-N 1 0 322.396 2.380 10 0 DEAERO [NH3+][C@@H]1CN(c2ncnc3sccc32)CC[C@H]1C(F)(F)F ZINC000717089672 799193885 /nfs/dbraw/zinc/19/38/85/799193885.db2.gz HBPUSCQJCSKCON-RKDXNWHRSA-N 1 0 302.325 2.407 10 0 DEAERO Cn1cc(C[NH2+]C[C@@H]2CC(C)(C)CO2)c(Br)n1 ZINC000717598776 799424654 /nfs/dbraw/zinc/42/46/54/799424654.db2.gz FIYDQWFOGZYKKW-JTQLQIEISA-N 1 0 302.216 2.087 10 0 DEAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1coc(Br)c1 ZINC000401412697 801826875 /nfs/dbraw/zinc/82/68/75/801826875.db2.gz SNNLDDVJQKFPKY-JTQLQIEISA-N 1 0 313.195 2.447 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCc2ccn(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC000401694955 801842007 /nfs/dbraw/zinc/84/20/07/801842007.db2.gz JPHMZRIICFNHPB-HIFRSBDPSA-N 1 0 322.453 2.198 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCc2ccn(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC000401694954 801842115 /nfs/dbraw/zinc/84/21/15/801842115.db2.gz JPHMZRIICFNHPB-DZGCQCFKSA-N 1 0 322.453 2.198 10 0 DEAERO CC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401723889 801846093 /nfs/dbraw/zinc/84/60/93/801846093.db2.gz BXQBETFEIDORHT-MJBXVCDLSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCn2cccn2)CN(C(=O)OC(C)(C)C)C1 ZINC000401754352 801848683 /nfs/dbraw/zinc/84/86/83/801848683.db2.gz ZRXBGAHEZBASMU-ZIAGYGMSSA-N 1 0 308.426 2.118 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)CN(C(=O)OC(C)(C)C)C1 ZINC000401774108 801849841 /nfs/dbraw/zinc/84/98/41/801849841.db2.gz LIEWXITYRMXGSV-APIJFGDWSA-N 1 0 312.454 2.383 10 0 DEAERO CC[C@H](CCO)[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401784931 801852456 /nfs/dbraw/zinc/85/24/56/801852456.db2.gz YYUBAJJFIQQWBO-MCIONIFRSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCc2cnccn2)CN(C(=O)OC(C)(C)C)C1 ZINC000401861631 801855285 /nfs/dbraw/zinc/85/52/85/801855285.db2.gz YAMMBUDRSWPMLF-HIFRSBDPSA-N 1 0 320.437 2.254 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C12CCC2 ZINC000404592142 802025145 /nfs/dbraw/zinc/02/51/45/802025145.db2.gz YABOGIACLXBNOL-HZSPNIEDSA-N 1 0 310.438 2.448 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1 ZINC000404763002 802030121 /nfs/dbraw/zinc/03/01/21/802030121.db2.gz KESXXIFKWSYVDU-KBPBESRZSA-N 1 0 322.453 2.473 10 0 DEAERO CCOC(CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000407421150 802215690 /nfs/dbraw/zinc/21/56/90/802215690.db2.gz LLPCYWZHDQLGNC-MRXNPFEDSA-N 1 0 320.433 2.166 10 0 DEAERO O=Cc1cnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000310187854 802252133 /nfs/dbraw/zinc/25/21/33/802252133.db2.gz YZCHYQPPPCYISD-MSOLQXFVSA-N 1 0 322.412 2.247 10 0 DEAERO C#CC[NH+]1CCC(C(=O)N[C@@H](C)Cc2ccccc2OC)CC1 ZINC000057177369 1078730926 /nfs/dbraw/zinc/73/09/26/1078730926.db2.gz PUMLEXUBKZMSLB-HNNXBMFYSA-N 1 0 314.429 2.088 10 0 DEAERO c1c(CC[NH2+]Cc2cccc3c2OCCO3)nc2ccccn12 ZINC000077326657 1080463080 /nfs/dbraw/zinc/46/30/80/1080463080.db2.gz ZZSQGGRKPVQWMK-UHFFFAOYSA-N 1 0 309.369 2.438 10 0 DEAERO c1cc(C[NH2+]CCCOCC2CCOCC2)c2c(c1)OCCO2 ZINC000077425201 1080471040 /nfs/dbraw/zinc/47/10/40/1080471040.db2.gz UAJWORPETTVRRF-UHFFFAOYSA-N 1 0 321.417 2.381 10 0 DEAERO CC[C@H]1CN(S(=O)(=O)CCC(C)(C)C2CC2)CC[C@H]1[NH3+] ZINC000717934406 1081802610 /nfs/dbraw/zinc/80/26/10/1081802610.db2.gz DQMCJBDGYMJNAB-GXTWGEPZSA-N 1 0 302.484 2.202 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c(Cl)c1 ZINC000721036343 1085601685 /nfs/dbraw/zinc/60/16/85/1085601685.db2.gz KLJLVXAOKKWNDQ-VXGBXAGGSA-N 1 0 316.854 2.172 10 0 DEAERO Cn1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(Br)n1 ZINC000720657863 1085818894 /nfs/dbraw/zinc/81/88/94/1085818894.db2.gz VMRXBLNYRQGENH-HBNTYKKESA-N 1 0 314.227 2.086 10 0 DEAERO CC(C)[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2Br)CCO1 ZINC000720661162 1085821472 /nfs/dbraw/zinc/82/14/72/1085821472.db2.gz QZIZVPUMQPWEQO-VXGBXAGGSA-N 1 0 316.243 2.476 10 0 DEAERO C[C@H](CC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000720818309 1086169669 /nfs/dbraw/zinc/16/96/69/1086169669.db2.gz UTYFUDRUALAQQL-GJMOJQLCSA-N 1 0 306.250 2.171 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720837575 1086205491 /nfs/dbraw/zinc/20/54/91/1086205491.db2.gz PSVREADBJMDFEN-NRUUGDAUSA-N 1 0 314.227 2.230 10 0 DEAERO [NH3+]C[C@H]1CN(CCOCc2ccccc2)C[C@@H]1C(F)(F)F ZINC000720844121 1086288992 /nfs/dbraw/zinc/28/89/92/1086288992.db2.gz IBTSFAOYKRAANH-KBPBESRZSA-N 1 0 302.340 2.272 10 0 DEAERO Cc1sc(C[NH2+]C[C@@H]2COCCN2C)cc1Br ZINC000700128569 1086309477 /nfs/dbraw/zinc/30/94/77/1086309477.db2.gz ARMORQFFTJTPQZ-SNVBAGLBSA-N 1 0 319.268 2.239 10 0 DEAERO O=C(c1ccncc1Br)N1CCC([NH+]2CCC2)CC1 ZINC000700413269 1086317125 /nfs/dbraw/zinc/31/71/25/1086317125.db2.gz KCUHDXASVLSOJX-UHFFFAOYSA-N 1 0 324.222 2.154 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCOC2CCOCC2)CN1Cc1ccccc1 ZINC000701399214 1086364022 /nfs/dbraw/zinc/36/40/22/1086364022.db2.gz PFOLMLJVQDVEHP-SJLPKXTDSA-N 1 0 318.461 2.435 10 0 DEAERO C[C@@H]1CN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC000702337960 1086424824 /nfs/dbraw/zinc/42/48/24/1086424824.db2.gz KWIGOOINYIPWAG-HOCLYGCPSA-N 1 0 303.450 2.093 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(Cc3cccc(Br)n3)C[C@]2(C)C1 ZINC000702438848 1086433643 /nfs/dbraw/zinc/43/36/43/1086433643.db2.gz SWZZVANXLGEBNC-RISCZKNCSA-N 1 0 310.239 2.228 10 0 DEAERO C[NH2+]CCc1ccccc1C(=O)NCCC1SCCS1 ZINC000703327148 1086492421 /nfs/dbraw/zinc/49/24/21/1086492421.db2.gz GODCWACWXURKBW-UHFFFAOYSA-N 1 0 310.488 2.375 10 0 DEAERO CCOC[C@H]([NH2+]CCS(=O)(=O)C1CCCCC1)C(C)C ZINC000704059231 1086569512 /nfs/dbraw/zinc/56/95/12/1086569512.db2.gz LWSZXWPNTAPJCV-HNNXBMFYSA-N 1 0 305.484 2.385 10 0 DEAERO COC[C@@H](C)OC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000704469439 1086581076 /nfs/dbraw/zinc/58/10/76/1086581076.db2.gz AOYUBXKMOXISDQ-PBHICJAKSA-N 1 0 306.406 2.412 10 0 DEAERO CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccoc2)CCOCC1 ZINC000705610048 1086619277 /nfs/dbraw/zinc/61/92/77/1086619277.db2.gz WGPGDHRQDVWDRK-UHFFFAOYSA-N 1 0 310.394 2.443 10 0 DEAERO C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c1cnccn1 ZINC000705927552 1086626295 /nfs/dbraw/zinc/62/62/95/1086626295.db2.gz OPUFJRBWBLJCKO-CYBMUJFWSA-N 1 0 324.425 2.011 10 0 DEAERO CN(CCOCC[NH2+][C@@H]1COC(C)(C)C1)C(=O)OC(C)(C)C ZINC000705905516 1086628203 /nfs/dbraw/zinc/62/82/03/1086628203.db2.gz YMTPLTYHMNUBSJ-ZDUSSCGKSA-N 1 0 316.442 2.027 10 0 DEAERO CON1CCC([NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000709386260 1086682352 /nfs/dbraw/zinc/68/23/52/1086682352.db2.gz ZJZOGSOCSWGINY-CQSZACIVSA-N 1 0 300.468 2.047 10 0 DEAERO CN(CCCCCC[NH3+])C(=O)c1ccncc1Br ZINC000710692597 1086688550 /nfs/dbraw/zinc/68/85/50/1086688550.db2.gz LSMQTOYCHNJULG-UHFFFAOYSA-N 1 0 314.227 2.435 10 0 DEAERO C[C@]1(C(=O)Nc2cccc(SC(F)F)c2)C[NH2+]CCO1 ZINC000710804030 1086689154 /nfs/dbraw/zinc/68/91/54/1086689154.db2.gz LCBCIGSVMAPVGB-CYBMUJFWSA-N 1 0 302.346 2.318 10 0 DEAERO C[C@@H](CN1CCCCC1)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710838503 1086689872 /nfs/dbraw/zinc/68/98/72/1086689872.db2.gz VTTVELMGVNSUAS-AWEZNQCLSA-N 1 0 311.470 2.317 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000710957370 1086691716 /nfs/dbraw/zinc/69/17/16/1086691716.db2.gz DPHCCSURMZJXLG-MRXNPFEDSA-N 1 0 301.390 2.173 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000710948452 1086691737 /nfs/dbraw/zinc/69/17/37/1086691737.db2.gz RZVPWCYBENGNQU-QWHCGFSZSA-N 1 0 314.426 2.031 10 0 DEAERO C[C@H]1CCC[C@@]1(O)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711440487 1087112679 /nfs/dbraw/zinc/11/26/79/1087112679.db2.gz UMONYYWXCKGPQG-SZOQZIPDSA-N 1 0 312.454 2.430 10 0 DEAERO CC[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C(C)(C)O ZINC000711486002 1087136926 /nfs/dbraw/zinc/13/69/26/1087136926.db2.gz XQBGWIHQZHQJMV-XQQFMLRXSA-N 1 0 300.443 2.429 10 0 DEAERO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1nccn1C1CC1 ZINC000711753146 1087195229 /nfs/dbraw/zinc/19/52/29/1087195229.db2.gz UIZREXHJTUWNLJ-GFCCVEGCSA-N 1 0 308.426 2.468 10 0 DEAERO CN(Cc1cccc(Cl)c1)C(=O)Cc1csc(C[NH3+])n1 ZINC000719047288 1088788768 /nfs/dbraw/zinc/78/87/68/1088788768.db2.gz YZLFWYGUQMVJND-UHFFFAOYSA-N 1 0 309.822 2.456 10 0 DEAERO Cc1nc(C[NH2+][C@H](C)C2(CO)CC2)sc1Br ZINC000719228794 1088910785 /nfs/dbraw/zinc/91/07/85/1088910785.db2.gz GBWVNUXUFBXBHE-MRVPVSSYSA-N 1 0 305.241 2.465 10 0 DEAERO Cc1nc(CN2CC[C@]3(CC[NH2+]C3)C2)sc1Br ZINC000719254273 1088914989 /nfs/dbraw/zinc/91/49/89/1088914989.db2.gz UKDNXYVHTNIPKX-LBPRGKRZSA-N 1 0 316.268 2.399 10 0 DEAERO CO[C@]1(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CCSC1 ZINC000719322426 1088953529 /nfs/dbraw/zinc/95/35/29/1088953529.db2.gz DCEQTLRKAUNTQO-KGLIPLIRSA-N 1 0 303.374 2.110 10 0 DEAERO CCn1cc(Br)cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000719383946 1089078167 /nfs/dbraw/zinc/07/81/67/1089078167.db2.gz AMSBSUANHLGKIO-KOLCDFICSA-N 1 0 314.227 2.093 10 0 DEAERO COC[C@H](O)C[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719534448 1089286607 /nfs/dbraw/zinc/28/66/07/1089286607.db2.gz IOPBPKABTUBBQV-GFCCVEGCSA-N 1 0 302.212 2.163 10 0 DEAERO CC(C)(C[NH2+]Cc1nc2c(s1)CCCC2)CS(C)(=O)=O ZINC000719599465 1089317727 /nfs/dbraw/zinc/31/77/27/1089317727.db2.gz PHXVJFHFLGFOFU-UHFFFAOYSA-N 1 0 316.492 2.182 10 0 DEAERO FC(F)(F)C(F)(F)OCC[NH2+]C1CCN(C2CC2)CC1 ZINC000720251008 1089538914 /nfs/dbraw/zinc/53/89/14/1089538914.db2.gz SGOKXLDDNCZLEX-UHFFFAOYSA-N 1 0 302.287 2.375 10 0 DEAERO C[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1Sc1nnnn1C ZINC000081843545 192329987 /nfs/dbraw/zinc/32/99/87/192329987.db2.gz DPADGHGQEFLLGN-MJBXVCDLSA-N 1 0 303.435 2.227 10 0 DEAERO CCC[NH2+][C@H]1c2ccccc2OC[C@@H]1Sc1nncn1C ZINC000081866886 192332784 /nfs/dbraw/zinc/33/27/84/192332784.db2.gz PVFZBLKJYUOFKE-KBPBESRZSA-N 1 0 304.419 2.409 10 0 DEAERO CC[NH2+][C@H]1CCOC[C@@H]1Sc1nnc(C2CC2)n1C1CC1 ZINC000081857425 192332835 /nfs/dbraw/zinc/33/28/35/192332835.db2.gz NFNSTAGOWKRDHG-STQMWFEESA-N 1 0 308.451 2.350 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1Sc1nnc(C)o1)OCCO2 ZINC000081877543 192333048 /nfs/dbraw/zinc/33/30/48/192333048.db2.gz CAWGWYZXPVOUFT-RYUDHWBXSA-N 1 0 313.423 2.134 10 0 DEAERO [NH3+][C@H]1CCC2(C[C@@H]1Sc1nc3ccccc3[nH]1)OCCO2 ZINC000081862754 192333109 /nfs/dbraw/zinc/33/31/09/192333109.db2.gz KKCAWZNZNRZAEQ-GWCFXTLKSA-N 1 0 305.403 2.278 10 0 DEAERO CCC[NH2+]Cc1cc(Cl)ccc1N1CCS(=O)CC1 ZINC000162239425 197554540 /nfs/dbraw/zinc/55/45/40/197554540.db2.gz AVAYEOGIKADBGQ-UHFFFAOYSA-N 1 0 300.855 2.408 10 0 DEAERO CCCn1c(S[C@H](C)[C@H]([NH3+])c2ccc(C)cc2)n[nH]c1=O ZINC000081879295 192333619 /nfs/dbraw/zinc/33/36/19/192333619.db2.gz JUCXNQMUEPGMJM-YPMHNXCESA-N 1 0 306.435 2.470 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)C(C)(C)C)c1ccc2c(c1)OCO2 ZINC000081924300 192339685 /nfs/dbraw/zinc/33/96/85/192339685.db2.gz BXWBBRDTZRBBEI-GFCCVEGCSA-N 1 0 313.419 2.279 10 0 DEAERO COCCn1ncc(Br)c1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000162880683 197598740 /nfs/dbraw/zinc/59/87/40/197598740.db2.gz NRUKRPGQVSMLOY-KOLCDFICSA-N 1 0 302.216 2.277 10 0 DEAERO [NH3+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1Br ZINC000081932002 192340597 /nfs/dbraw/zinc/34/05/97/192340597.db2.gz MBIBISLNBXKBIZ-ZYHUDNBSSA-N 1 0 318.236 2.493 10 0 DEAERO CC[C@](C)(OC)[C@H](Cc1c(Br)c(C)nn1C)[NH2+]C ZINC000163418079 197629590 /nfs/dbraw/zinc/62/95/90/197629590.db2.gz WBCUPOJCVABSOK-AAEUAGOBSA-N 1 0 318.259 2.437 10 0 DEAERO CC[C@H]1CN(C(=O)NCCC2=CCCC2)CC[N@@H+]1CCOC ZINC000152140280 282136202 /nfs/dbraw/zinc/13/62/02/282136202.db2.gz NKMUKRJXMMWGIM-INIZCTEOSA-N 1 0 309.454 2.239 10 0 DEAERO C[C@@H]([NH3+])CCCS(=O)(=O)c1ccccc1Br ZINC000081931814 192341544 /nfs/dbraw/zinc/34/15/44/192341544.db2.gz NVFGZHUJDZMZQK-SECBINFHSA-N 1 0 306.225 2.350 10 0 DEAERO C[C@H]([NH3+])CCCS(=O)(=O)c1ccccc1Br ZINC000081931810 192341654 /nfs/dbraw/zinc/34/16/54/192341654.db2.gz NVFGZHUJDZMZQK-VIFPVBQESA-N 1 0 306.225 2.350 10 0 DEAERO CCCS(=O)(=O)C[C@H]([NH2+]CC)c1ccc(OC)c(OC)c1 ZINC000081940948 192342674 /nfs/dbraw/zinc/34/26/74/192342674.db2.gz AGJWIOZWSQYYEY-ZDUSSCGKSA-N 1 0 315.435 2.179 10 0 DEAERO CC[N@H+](CC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)C1CC1 ZINC000152277481 282139496 /nfs/dbraw/zinc/13/94/96/282139496.db2.gz JVPKHHBIQHZYLH-HNNXBMFYSA-N 1 0 304.438 2.185 10 0 DEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)NCCOCC(F)(F)F ZINC000079294537 185163881 /nfs/dbraw/zinc/16/38/81/185163881.db2.gz HDRNAFJTYBJHFA-NSHDSACASA-N 1 0 312.376 2.473 10 0 DEAERO CC(C)(C)c1noc(CCCC(=O)NCC[C@@H]2CCC[NH2+]C2)n1 ZINC000152805223 282155321 /nfs/dbraw/zinc/15/53/21/282155321.db2.gz JWKFOXCUHBDRLE-ZDUSSCGKSA-N 1 0 322.453 2.196 10 0 DEAERO C[C@@]1(C(=O)NCc2ccc(OC(F)(F)F)cc2)CCC[NH2+]1 ZINC000079519895 185173937 /nfs/dbraw/zinc/17/39/37/185173937.db2.gz RKFZCOPWUOUXLB-ZDUSSCGKSA-N 1 0 302.296 2.344 10 0 DEAERO C[N@@H+]1CC[C@H](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000082315052 185175430 /nfs/dbraw/zinc/17/54/30/185175430.db2.gz ARXBFLAFBVBFFO-CQSZACIVSA-N 1 0 321.852 2.330 10 0 DEAERO CN(C(=O)c1coc(Br)c1)[C@H]1CCC[N@H+](C)C1 ZINC000153715063 282173389 /nfs/dbraw/zinc/17/33/89/282173389.db2.gz MHIXWKZXLAWDDI-JTQLQIEISA-N 1 0 301.184 2.208 10 0 DEAERO CN(Cc1csc(Br)c1)C[C@]1([NH3+])CCOC1 ZINC000082986636 185210334 /nfs/dbraw/zinc/21/03/34/185210334.db2.gz VOIMKHDEDLXQKV-LLVKDONJSA-N 1 0 305.241 2.060 10 0 DEAERO Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ncn1 ZINC000328621244 231251535 /nfs/dbraw/zinc/25/15/35/231251535.db2.gz HPRAMNPDULLEAG-WMLDXEAASA-N 1 0 314.437 2.038 10 0 DEAERO Cc1cnc(CN(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)o1 ZINC000328626673 231258941 /nfs/dbraw/zinc/25/89/41/231258941.db2.gz FIPOSHJBGDWDOG-WMLDXEAASA-N 1 0 317.437 2.231 10 0 DEAERO CC1(C)CN(c2cccc(I)c2)CC[NH2+]1 ZINC000083061336 185212399 /nfs/dbraw/zinc/21/23/99/185212399.db2.gz KERDBUDSWBQEJY-UHFFFAOYSA-N 1 0 316.186 2.479 10 0 DEAERO C[C@@H](CO)CSc1ccc(Br)cc1C(N)=[NH2+] ZINC000165287181 197674139 /nfs/dbraw/zinc/67/41/39/197674139.db2.gz NRLDSQFXEBROSS-ZETCQYMHSA-N 1 0 303.225 2.454 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](COc2ccc(Br)c(F)c2)O1 ZINC000087436788 185224905 /nfs/dbraw/zinc/22/49/05/185224905.db2.gz MBEDRGONEOYBLC-ZJUUUORDSA-N 1 0 304.159 2.473 10 0 DEAERO COC1([C@@H]([NH3+])Cc2cc(Cl)cc3c2OCC3)CCOCC1 ZINC000165407269 197674793 /nfs/dbraw/zinc/67/47/93/197674793.db2.gz RVPVEYNZDFJMEC-AWEZNQCLSA-N 1 0 311.809 2.340 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)s1 ZINC000087779104 185231758 /nfs/dbraw/zinc/23/17/58/185231758.db2.gz KXPRKWZZPDUOJE-PWSUYJOCSA-N 1 0 300.449 2.160 10 0 DEAERO COC(=O)c1c(NC(=O)[C@@H](C[NH3+])C(C)C)sc2c1CCC2 ZINC000087532944 185227647 /nfs/dbraw/zinc/22/76/47/185227647.db2.gz GTFBDMKXKUEKKN-JTQLQIEISA-N 1 0 310.419 2.193 10 0 DEAERO CC(C)[C@@H](C[NH3+])C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000087524656 185227819 /nfs/dbraw/zinc/22/78/19/185227819.db2.gz AITRBDKQOYUZSX-UKRRQHHQSA-N 1 0 310.463 2.487 10 0 DEAERO COC(=O)CCN(CC(C)C)C(=O)CCC(C)(C)CC[NH3+] ZINC000087696516 185230712 /nfs/dbraw/zinc/23/07/12/185230712.db2.gz BHADOTQMHZXNSH-UHFFFAOYSA-N 1 0 300.443 2.189 10 0 DEAERO Cc1nnc(SCc2ccccc2OC(F)F)n1CC[NH3+] ZINC000087714983 185230918 /nfs/dbraw/zinc/23/09/18/185230918.db2.gz XXFXFWXKWHAVAP-UHFFFAOYSA-N 1 0 314.361 2.439 10 0 DEAERO Cc1nnc(SCCOc2cc(C)cc(C)c2)n1CC[NH3+] ZINC000087714930 185231020 /nfs/dbraw/zinc/23/10/20/185231020.db2.gz GUEDSIPXVCWXHB-UHFFFAOYSA-N 1 0 306.435 2.333 10 0 DEAERO [NH3+]Cc1c(F)cccc1S(=O)(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000087768786 185231590 /nfs/dbraw/zinc/23/15/90/185231590.db2.gz VUNVMOIWZDZIBJ-RISCZKNCSA-N 1 0 312.410 2.238 10 0 DEAERO Cc1nc2c(cnn2C)c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000173998123 282192211 /nfs/dbraw/zinc/19/22/11/282192211.db2.gz JSPWAXLCXLWQQN-KGLIPLIRSA-N 1 0 314.437 2.123 10 0 DEAERO [NH3+]C[C@H](NCC1CC1)c1cc2c(c(Br)c1)OCO2 ZINC000087912276 185237276 /nfs/dbraw/zinc/23/72/76/185237276.db2.gz RUKICFYVFFPHAZ-NSHDSACASA-N 1 0 313.195 2.177 10 0 DEAERO [NH3+]C[C@@H](NC[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000087928676 185237554 /nfs/dbraw/zinc/23/75/54/185237554.db2.gz PKFASDAXLFNYDK-QWHCGFSZSA-N 1 0 304.312 2.354 10 0 DEAERO [NH3+]C[C@H](NC[C@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000087928679 185237588 /nfs/dbraw/zinc/23/75/88/185237588.db2.gz PKFASDAXLFNYDK-OLZOCXBDSA-N 1 0 304.312 2.354 10 0 DEAERO COc1ccc(Br)cc1C[C@](C)(C[NH3+])[C@@H](C)O ZINC000087932061 185237605 /nfs/dbraw/zinc/23/76/05/185237605.db2.gz NFHPIWGFYLGNCH-NOZJJQNGSA-N 1 0 302.212 2.346 10 0 DEAERO Cc1c(NN)[nH+]c(C(C)C)nc1-n1cc(Br)cn1 ZINC000087919070 185237630 /nfs/dbraw/zinc/23/76/30/185237630.db2.gz JDPXMRCHZSIKON-UHFFFAOYSA-N 1 0 311.187 2.142 10 0 DEAERO [NH3+]C[C@]1(NCC(F)(F)F)CCCN(Cc2ccccc2)C1 ZINC000087929691 185237686 /nfs/dbraw/zinc/23/76/86/185237686.db2.gz JUJWZHKSPWCCCJ-CQSZACIVSA-N 1 0 301.356 2.132 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)[C@H]1COc2ccccc2C1 ZINC000088021716 185237935 /nfs/dbraw/zinc/23/79/35/185237935.db2.gz GJAXBWARSKLAER-HUUCEWRRSA-N 1 0 311.447 2.041 10 0 DEAERO C[C@H](C[NH3+])CC(=O)Nc1cccc(I)c1 ZINC000087983146 185238106 /nfs/dbraw/zinc/23/81/06/185238106.db2.gz CBDODJXXJBDZHX-QMMMGPOBSA-N 1 0 318.158 2.215 10 0 DEAERO COc1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1C[NH3+] ZINC000087833044 185232832 /nfs/dbraw/zinc/23/28/32/185232832.db2.gz MCDJNSFFZVUFGF-UHFFFAOYSA-N 1 0 309.362 2.267 10 0 DEAERO COc1ccc(CS(=O)(=O)c2cccc(C)c2)cc1C[NH3+] ZINC000087833068 185232855 /nfs/dbraw/zinc/23/28/55/185232855.db2.gz KUZGUBVJLSVOOJ-UHFFFAOYSA-N 1 0 305.399 2.436 10 0 DEAERO C[C@H](Nc1nc(NN)[nH+]cc1Br)c1ccncc1 ZINC000087853536 185233526 /nfs/dbraw/zinc/23/35/26/185233526.db2.gz PLMFFGMKUMVPER-ZETCQYMHSA-N 1 0 309.171 2.093 10 0 DEAERO C[NH2+][C@H](Cc1cc(Br)ccc1F)[C@H]1COCCO1 ZINC000087857665 185233604 /nfs/dbraw/zinc/23/36/04/185233604.db2.gz ZKIMPCZPFRBFMO-CHWSQXEVSA-N 1 0 318.186 2.134 10 0 DEAERO CC1CCC(Oc2nc(NN)[nH+]cc2Br)CC1 ZINC000087877950 185234154 /nfs/dbraw/zinc/23/41/54/185234154.db2.gz VBKLIKJVZLUMCL-UHFFFAOYSA-N 1 0 301.188 2.482 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)Nc1c(F)cc(Br)cc1F ZINC000088168573 185240893 /nfs/dbraw/zinc/24/08/93/185240893.db2.gz MYCITJBNERNPHC-SECBINFHSA-N 1 0 323.137 2.030 10 0 DEAERO CCN(CC)c1nc(Cl)nc(OC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000088165593 185240916 /nfs/dbraw/zinc/24/09/16/185240916.db2.gz QLEBNKZXFMTAAI-NSHDSACASA-N 1 0 313.833 2.234 10 0 DEAERO CC[NH2+][C@@H]1CCN(c2c(F)cc(Br)cc2F)C1=O ZINC000088171598 185241022 /nfs/dbraw/zinc/24/10/22/185241022.db2.gz NQYKQIGWQJMQNH-SNVBAGLBSA-N 1 0 319.149 2.442 10 0 DEAERO C[NH+](C)C[C@H](O)CNc1c(F)cc(Br)cc1F ZINC000088170823 185241060 /nfs/dbraw/zinc/24/10/60/185241060.db2.gz GWTVWVPVYWYCDT-MRVPVSSYSA-N 1 0 309.154 2.062 10 0 DEAERO COc1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1Br ZINC000088321804 185245792 /nfs/dbraw/zinc/24/57/92/185245792.db2.gz SNYRVTBVESXVIE-SCZZXKLOSA-N 1 0 313.195 2.252 10 0 DEAERO CC[C@@H](C)Oc1cccc(NS(=O)(=O)[C@H](CC)C[NH3+])c1 ZINC000088473797 185252126 /nfs/dbraw/zinc/25/21/26/185252126.db2.gz NMJPYDVJVFBFSN-BXUZGUMPSA-N 1 0 300.424 2.343 10 0 DEAERO CC[C@H](C[NH3+])S(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000088474047 185252365 /nfs/dbraw/zinc/25/23/65/185252365.db2.gz GIEWKYNGAVAZDI-OAHLLOKOSA-N 1 0 311.451 2.156 10 0 DEAERO O=S(=O)(c1ccc(F)cc1)N1CC[NH2+]CC12CCCCC2 ZINC000088396238 185248373 /nfs/dbraw/zinc/24/83/73/185248373.db2.gz DUJPHQKNZPCGDU-UHFFFAOYSA-N 1 0 312.410 2.123 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N(C)CCC(F)(F)F)OCCO2 ZINC000088418283 185249158 /nfs/dbraw/zinc/24/91/58/185249158.db2.gz VZEZRTSWOLJCIS-NWDGAFQWSA-N 1 0 310.360 2.144 10 0 DEAERO [NH3+]Cc1cccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000088419168 185249537 /nfs/dbraw/zinc/24/95/37/185249537.db2.gz XEQVXTCTBREAHL-NSHDSACASA-N 1 0 322.352 2.108 10 0 DEAERO COC(=O)[C@](C)(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)NC(C)C ZINC000088435148 185250054 /nfs/dbraw/zinc/25/00/54/185250054.db2.gz IGKAKEAFFZDIBW-AAEUAGOBSA-N 1 0 310.360 2.190 10 0 DEAERO CCOC(=O)[C@](C)(N)C[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000088435421 185250241 /nfs/dbraw/zinc/25/02/41/185250241.db2.gz PZGGVLMNQIUUBC-ZWNOBZJWSA-N 1 0 310.360 2.320 10 0 DEAERO OC[C@](CN1CCC(C(F)(F)F)CC1)([NH2+]C1CC1)C1CC1 ZINC000088439753 185250719 /nfs/dbraw/zinc/25/07/19/185250719.db2.gz OCCYZMDRVAGWHX-AWEZNQCLSA-N 1 0 306.372 2.154 10 0 DEAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)NC)o1 ZINC000088540205 185255681 /nfs/dbraw/zinc/25/56/81/185255681.db2.gz NJCSLEOPHBJAAP-DGCLKSJQSA-N 1 0 300.424 2.246 10 0 DEAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H]1C ZINC000088540947 185255939 /nfs/dbraw/zinc/25/59/39/185255939.db2.gz YGJUIRQACPYPKM-WZRBSPASSA-N 1 0 300.424 2.054 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2C)o1 ZINC000088541012 185255941 /nfs/dbraw/zinc/25/59/41/185255941.db2.gz DOTPCDUUJKIKJJ-WCQYABFASA-N 1 0 300.424 2.246 10 0 DEAERO CCC(CC)CN(CC)S(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088544217 185256650 /nfs/dbraw/zinc/25/66/50/185256650.db2.gz ZVKDMWGVPPXASF-UHFFFAOYSA-N 1 0 302.440 2.446 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@H]2C)o1 ZINC000088551631 185257599 /nfs/dbraw/zinc/25/75/99/185257599.db2.gz SCGABPYOUBBODB-YPMHNXCESA-N 1 0 300.424 2.246 10 0 DEAERO CCCCCCNS(=O)(=O)c1ccc(C[NH2+]C2CC2)o1 ZINC000088551238 185257680 /nfs/dbraw/zinc/25/76/80/185257680.db2.gz TWGDGWCEVATRHS-UHFFFAOYSA-N 1 0 300.424 2.390 10 0 DEAERO CCC[NH2+][C@@H](c1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000088567524 185258347 /nfs/dbraw/zinc/25/83/47/185258347.db2.gz RGSYOTKTDPYZEN-CVEARBPZSA-N 1 0 311.447 2.308 10 0 DEAERO C[NH2+]C[C@@H](Cc1ncnn1C)Cc1ccccc1Br ZINC000088583159 185258451 /nfs/dbraw/zinc/25/84/51/185258451.db2.gz PDVDBLZGJYHFLB-LLVKDONJSA-N 1 0 323.238 2.198 10 0 DEAERO CCn1ncnc1C[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000088607015 185259999 /nfs/dbraw/zinc/25/99/99/185259999.db2.gz YHXACCGGLSKWAE-CYBMUJFWSA-N 1 0 309.211 2.477 10 0 DEAERO Cc1cc(C)c2c(N)c(C(=O)N3CCC[C@@H]([NH3+])C3)sc2n1 ZINC000088641273 185260737 /nfs/dbraw/zinc/26/07/37/185260737.db2.gz XOIOMUBAYIKCSO-SNVBAGLBSA-N 1 0 304.419 2.059 10 0 DEAERO CCOC(=O)[C@@H]1C[NH2+]CCN1[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000088657782 185261788 /nfs/dbraw/zinc/26/17/88/185261788.db2.gz QYSSRLZBZBFRSD-HZMBPMFUSA-N 1 0 314.788 2.377 10 0 DEAERO O=S(=O)(CCC1CC[NH2+]CC1)Nc1c(F)cc(F)cc1F ZINC000088722616 185263362 /nfs/dbraw/zinc/26/33/62/185263362.db2.gz VXEPTXZNJSJIRU-UHFFFAOYSA-N 1 0 322.352 2.235 10 0 DEAERO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1=O)c1cccc(C(F)(F)F)c1 ZINC000088774657 185265389 /nfs/dbraw/zinc/26/53/89/185265389.db2.gz OFVLBWCMHONRLY-KWQFWETISA-N 1 0 300.280 2.113 10 0 DEAERO Nc1c[nH+]ccc1N1CCN(Cc2ccncc2Cl)CC1 ZINC000088781918 185265684 /nfs/dbraw/zinc/26/56/84/185265684.db2.gz KAXQGVGICMZMJD-UHFFFAOYSA-N 1 0 303.797 2.034 10 0 DEAERO O=C(CCC(F)(F)F)N(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000088832852 185266560 /nfs/dbraw/zinc/26/65/60/185266560.db2.gz SMDXUBLYROGGFA-UHFFFAOYSA-N 1 0 306.250 2.472 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000081982626 192349187 /nfs/dbraw/zinc/34/91/87/192349187.db2.gz NOHRRODNMAQSAN-LBPRGKRZSA-N 1 0 318.236 2.221 10 0 DEAERO CCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)CCCOC ZINC000081985620 192349443 /nfs/dbraw/zinc/34/94/43/192349443.db2.gz CXMJUGZNMRHXBY-KBPBESRZSA-N 1 0 305.484 2.385 10 0 DEAERO COc1ccc(C[NH3+])cc1CS(=O)(=O)c1cccc(C)c1 ZINC000081986641 192349820 /nfs/dbraw/zinc/34/98/20/192349820.db2.gz QEVOMHWBEXVCFT-UHFFFAOYSA-N 1 0 305.399 2.436 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000081982628 192349982 /nfs/dbraw/zinc/34/99/82/192349982.db2.gz NOHRRODNMAQSAN-GFCCVEGCSA-N 1 0 318.236 2.221 10 0 DEAERO CCOC(=O)CC[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000090002951 185276356 /nfs/dbraw/zinc/27/63/56/185276356.db2.gz ZNCBZIINRMEKCP-ZDUSSCGKSA-N 1 0 306.406 2.210 10 0 DEAERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H]1CCCN(C(C)C)C1=O ZINC000178288969 282217730 /nfs/dbraw/zinc/21/77/30/282217730.db2.gz WQSGLMIORYSFER-HZPDHXFCSA-N 1 0 304.438 2.055 10 0 DEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000090272071 185288664 /nfs/dbraw/zinc/28/86/64/185288664.db2.gz RUAXJAQCQFDRNC-GDBMZVCRSA-N 1 0 315.841 2.466 10 0 DEAERO CN(CCOc1ccc(Cl)cc1Br)C1C[NH2+]C1 ZINC000090290138 185289558 /nfs/dbraw/zinc/28/95/58/185289558.db2.gz KUAPLZXWNLRGRR-UHFFFAOYSA-N 1 0 319.630 2.385 10 0 DEAERO CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000090290317 185289600 /nfs/dbraw/zinc/28/96/00/185289600.db2.gz VGXLZJNYINJXDL-UHFFFAOYSA-N 1 0 322.623 2.489 10 0 DEAERO CN(C(=O)c1cc2cccc(Br)c2o1)C1C[NH2+]C1 ZINC000090289796 185289648 /nfs/dbraw/zinc/28/96/48/185289648.db2.gz HFJXLUNYYXZBJY-UHFFFAOYSA-N 1 0 309.163 2.239 10 0 DEAERO COc1ccc([C@H](C)NS(=O)(=O)CCC[NH2+]C(C)C)cc1 ZINC000090310747 185290501 /nfs/dbraw/zinc/29/05/01/185290501.db2.gz AFXCLNRRSDVUJA-ZDUSSCGKSA-N 1 0 314.451 2.064 10 0 DEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1c(F)c(F)c(F)c(F)c1F ZINC000090327334 185291284 /nfs/dbraw/zinc/29/12/84/185291284.db2.gz RRFMOARILOMXKV-PRJMDXOYSA-N 1 0 306.278 2.422 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)COc1ccc(Cl)cc1 ZINC000090336490 185291703 /nfs/dbraw/zinc/29/17/03/185291703.db2.gz QLZZXBICFRXTRO-BXUZGUMPSA-N 1 0 308.809 2.175 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1noc(-c2ccsc2)n1 ZINC000090332807 185291724 /nfs/dbraw/zinc/29/17/24/185291724.db2.gz NWBMMZDKXWRTEW-JHJVBQTASA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1CC(=O)Nc1ccccc1Cl ZINC000090338160 185291819 /nfs/dbraw/zinc/29/18/19/185291819.db2.gz CELHLBOLUPESII-RYUDHWBXSA-N 1 0 307.825 2.208 10 0 DEAERO CCOCc1cc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)ccc1OC ZINC000179306649 282223767 /nfs/dbraw/zinc/22/37/67/282223767.db2.gz YLYBJVGMDSGZDO-QGZVFWFLSA-N 1 0 320.433 2.332 10 0 DEAERO O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333566851 282957514 /nfs/dbraw/zinc/95/75/14/282957514.db2.gz MAFJKGZSRCXHOU-GVDBMIGSSA-N 1 0 317.433 2.348 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000090378789 185293482 /nfs/dbraw/zinc/29/34/82/185293482.db2.gz NWRLQVUZIALKKI-IONNQARKSA-N 1 0 308.687 2.271 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000090423581 185295464 /nfs/dbraw/zinc/29/54/64/185295464.db2.gz YPNHTPBCOZIYFH-GXSJLCMTSA-N 1 0 324.178 2.201 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000090436572 185296218 /nfs/dbraw/zinc/29/62/18/185296218.db2.gz SPRCFJLCMGKOEU-WPRPVWTQSA-N 1 0 320.723 2.114 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000090434500 185296289 /nfs/dbraw/zinc/29/62/89/185296289.db2.gz BDNIFCNOJVDLAZ-ZYHUDNBSSA-N 1 0 317.216 2.186 10 0 DEAERO C[C@@]1(C(=O)Nc2nc3ccc(Cl)cc3s2)COC[C@@H]1[NH3+] ZINC000090580319 185304927 /nfs/dbraw/zinc/30/49/27/185304927.db2.gz LFBCPXSGCSWRBI-GXFFZTMASA-N 1 0 311.794 2.252 10 0 DEAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090590398 185305519 /nfs/dbraw/zinc/30/55/19/185305519.db2.gz PZBWAJLGHVLQKU-RISCZKNCSA-N 1 0 317.216 2.316 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1c(F)cc(F)cc1F ZINC000090546562 185302176 /nfs/dbraw/zinc/30/21/76/185302176.db2.gz QQRXMKFYKHDRDV-BXKDBHETSA-N 1 0 302.296 2.057 10 0 DEAERO CCC(C)(C)NC(=O)CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179511296 282227572 /nfs/dbraw/zinc/22/75/72/282227572.db2.gz FVJUKMTZZGASKQ-CYBMUJFWSA-N 1 0 319.453 2.166 10 0 DEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1S(=O)(=O)CC(C)C ZINC000092388614 185315459 /nfs/dbraw/zinc/31/54/59/185315459.db2.gz YWXNHLOMXNZKSS-HZPDHXFCSA-N 1 0 311.447 2.341 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000092400104 185315794 /nfs/dbraw/zinc/31/57/94/185315794.db2.gz PSWJTOJQFBJLHY-YPMHNXCESA-N 1 0 322.232 2.340 10 0 DEAERO CCn1nc(C)c(Br)c1C[NH2+][C@H](CO)C(C)C ZINC000092395060 185316015 /nfs/dbraw/zinc/31/60/15/185316015.db2.gz QNLNIHNIGPDSDW-SNVBAGLBSA-N 1 0 304.232 2.080 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1Cn1c(N)nc2cc(Br)cnc21 ZINC000092575656 185326860 /nfs/dbraw/zinc/32/68/60/185326860.db2.gz AXSGPFOWTZVBOJ-SNVBAGLBSA-N 1 0 324.226 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(COC(C)(C)C)on2)C1 ZINC000184182125 282247071 /nfs/dbraw/zinc/24/70/71/282247071.db2.gz MIKZQTQSGSZKQR-GFCCVEGCSA-N 1 0 309.410 2.204 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)ccc1NN ZINC000092675442 185333110 /nfs/dbraw/zinc/33/31/10/185333110.db2.gz PLUKTRBCHGUYQP-GFCCVEGCSA-N 1 0 310.829 2.182 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCOc3cccc(Cl)c3)C[C@@H]12 ZINC000185068896 282259213 /nfs/dbraw/zinc/25/92/13/282259213.db2.gz AYIKCBLBOUYSNL-KCPJHIHWSA-N 1 0 308.809 2.305 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000171508543 282261106 /nfs/dbraw/zinc/26/11/06/282261106.db2.gz XQOFQSBLGVFTED-LBPRGKRZSA-N 1 0 300.324 2.410 10 0 DEAERO COc1cc([C@@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)ccc1F ZINC000092825394 185344344 /nfs/dbraw/zinc/34/43/44/185344344.db2.gz WNPOSKMPVSDBJI-PWSUYJOCSA-N 1 0 301.383 2.062 10 0 DEAERO Cc1oc(C)c(S(=O)(=O)NC2C(C)(C)C2(C)C)c1C[NH3+] ZINC000092833195 185344849 /nfs/dbraw/zinc/34/48/49/185344849.db2.gz UAWZQOZMDMSUEK-UHFFFAOYSA-N 1 0 300.424 2.068 10 0 DEAERO CCCCS(=O)(=O)[C@H]1Cc2ccc(OC)cc2[C@@H]1[NH2+]CC ZINC000092859230 185346922 /nfs/dbraw/zinc/34/69/22/185346922.db2.gz PVEDLYBVEIVFTI-HOTGVXAUSA-N 1 0 311.447 2.485 10 0 DEAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000092793239 185341640 /nfs/dbraw/zinc/34/16/40/185341640.db2.gz OOOUIXSDKWWHNE-IKGGRYGDSA-N 1 0 308.466 2.384 10 0 DEAERO [NH3+][C@H]1CCO[C@@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000092888638 185348012 /nfs/dbraw/zinc/34/80/12/185348012.db2.gz PQMZITTVMHHPBR-GXSJLCMTSA-N 1 0 300.152 2.009 10 0 DEAERO COc1ccc(-c2n[nH]cc2C[NH2+]CC2(CCO)CC2)cc1 ZINC000186176665 282269032 /nfs/dbraw/zinc/26/90/32/282269032.db2.gz LGMHZYIJOFBMQY-UHFFFAOYSA-N 1 0 301.390 2.338 10 0 DEAERO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC(C)(C)O2)CC1 ZINC000186265417 282271162 /nfs/dbraw/zinc/27/11/62/282271162.db2.gz HVGRZZNTNKWTHL-HNNXBMFYSA-N 1 0 311.470 2.364 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccncc1 ZINC000036954910 539335032 /nfs/dbraw/zinc/33/50/32/539335032.db2.gz DYKRVXSUSZVVNO-NWDGAFQWSA-N 1 0 305.403 2.141 10 0 DEAERO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CC1(CO)CC1 ZINC000186768611 282283445 /nfs/dbraw/zinc/28/34/45/282283445.db2.gz QTMKKFUYJCKLBH-CYBMUJFWSA-N 1 0 308.397 2.049 10 0 DEAERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2cccnc2)CC1 ZINC000187667945 282288140 /nfs/dbraw/zinc/28/81/40/282288140.db2.gz SMAJEDLZLIVBRR-UHFFFAOYSA-N 1 0 319.449 2.320 10 0 DEAERO C[C@H]1CCCC[C@H]1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000183054611 199528687 /nfs/dbraw/zinc/52/86/87/199528687.db2.gz UIQXKNZYPZUDAV-GJZGRUSLSA-N 1 0 314.437 2.073 10 0 DEAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1coc(Br)c1 ZINC000078595734 539368551 /nfs/dbraw/zinc/36/85/51/539368551.db2.gz VMGOHKUSTSNQIM-VIFPVBQESA-N 1 0 313.195 2.256 10 0 DEAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2cc(C(N)=O)co2)C1 ZINC000189414806 282309211 /nfs/dbraw/zinc/30/92/11/282309211.db2.gz IACABQHFYRYDID-CJNGLKHVSA-N 1 0 313.401 2.304 10 0 DEAERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C[C@H]1CCCCNC1=O ZINC000329300777 529931163 /nfs/dbraw/zinc/93/11/63/529931163.db2.gz VUFXUCRZKNHWML-HUUCEWRRSA-N 1 0 309.454 2.466 10 0 DEAERO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000614335505 362353638 /nfs/dbraw/zinc/35/36/38/362353638.db2.gz PSWMGAWYZPSAEY-ZDUSSCGKSA-N 1 0 302.378 2.226 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(c2ccccc2)CC1 ZINC000046278755 190674794 /nfs/dbraw/zinc/67/47/94/190674794.db2.gz TZVOTVAKXCGVRI-INIZCTEOSA-N 1 0 318.465 2.249 10 0 DEAERO Cc1ccc2occ(/C=C/C(=O)NCCC[NH+](C)C)c(=O)c2c1 ZINC000170565100 197779066 /nfs/dbraw/zinc/77/90/66/197779066.db2.gz VIGFWGLCZGUGGU-SOFGYWHQSA-N 1 0 314.385 2.183 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)c1ccccc1 ZINC000106902520 185461267 /nfs/dbraw/zinc/46/12/67/185461267.db2.gz QLHATDOAICQWQB-ROUUACIJSA-N 1 0 312.413 2.009 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(C2CC2)on1 ZINC000193402470 282349774 /nfs/dbraw/zinc/34/97/74/282349774.db2.gz VVAHVKJOBHFWNC-OAHLLOKOSA-N 1 0 313.401 2.455 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc(C2CC2)on1 ZINC000193402485 282349860 /nfs/dbraw/zinc/34/98/60/282349860.db2.gz VVAHVKJOBHFWNC-HNNXBMFYSA-N 1 0 313.401 2.455 10 0 DEAERO C[C@@H](C[NH3+])[C@H](O)c1cc(Br)c(Br)o1 ZINC000085914293 539402141 /nfs/dbraw/zinc/40/21/41/539402141.db2.gz XTNQGJKLLPORHQ-FFWSUHOLSA-N 1 0 312.989 2.433 10 0 DEAERO Cn1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000107055746 185467533 /nfs/dbraw/zinc/46/75/33/185467533.db2.gz CORBPFOGJSXLND-UHFFFAOYSA-N 1 0 313.405 2.338 10 0 DEAERO C[C@H](CNC(=O)c1ccc(-c2ncon2)cc1)C[NH+]1CCCC1 ZINC000107224617 185472291 /nfs/dbraw/zinc/47/22/91/185472291.db2.gz WMRKSPGZFMUUCA-CYBMUJFWSA-N 1 0 314.389 2.198 10 0 DEAERO O[C@H](C[NH2+]CC1CC(O)C1)COc1c(Cl)cccc1Cl ZINC000091525674 539419347 /nfs/dbraw/zinc/41/93/47/539419347.db2.gz RVWMOXSKJBUYAX-VQXHTEKXSA-N 1 0 320.216 2.094 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CCN(C)c1ccccc1 ZINC000107832643 185493701 /nfs/dbraw/zinc/49/37/01/185493701.db2.gz YBNPKOKEMVIZGG-INIZCTEOSA-N 1 0 320.481 2.495 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000245416270 282386228 /nfs/dbraw/zinc/38/62/28/282386228.db2.gz DZRKKPPASPACLT-MWDXBVQZSA-N 1 0 307.482 2.335 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000245719476 282404373 /nfs/dbraw/zinc/40/43/73/282404373.db2.gz UOFZXVJPNPYZHC-OAADTKLRSA-N 1 0 311.470 2.362 10 0 DEAERO CN1C(=O)C[C@@H]([NH2+]Cc2cncnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000125224612 539471753 /nfs/dbraw/zinc/47/17/53/539471753.db2.gz WRMKKOJMVFVDEL-ZBFHGGJFSA-N 1 0 316.792 2.192 10 0 DEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCc1cc(Br)ccc1F ZINC000111271734 185569965 /nfs/dbraw/zinc/56/99/65/185569965.db2.gz VELSSUMRFNZPKY-GZMMTYOYSA-N 1 0 315.186 2.060 10 0 DEAERO CCCn1cc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC)cn1 ZINC000130240654 539494097 /nfs/dbraw/zinc/49/40/97/539494097.db2.gz VZIAHFAQIUGUBX-CVEARBPZSA-N 1 0 307.438 2.045 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000111373880 185590302 /nfs/dbraw/zinc/59/03/02/185590302.db2.gz UXSXYJYLASNMDZ-IAQYHMDHSA-N 1 0 314.426 2.320 10 0 DEAERO CC(C)C[NH2+]Cc1ccc(Sc2n[nH]c(=O)n2C)c(F)c1 ZINC000111566427 185613531 /nfs/dbraw/zinc/61/35/31/185613531.db2.gz JMXPWXMMDIECSR-UHFFFAOYSA-N 1 0 310.398 2.144 10 0 DEAERO CC(C)CCS(=O)(=O)N1CCC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000111719786 185630777 /nfs/dbraw/zinc/63/07/77/185630777.db2.gz MSKYMAKPLJTKAI-AWEZNQCLSA-N 1 0 304.500 2.462 10 0 DEAERO C[C@@H]([NH2+]Cc1nccn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279659951 215040405 /nfs/dbraw/zinc/04/04/05/215040405.db2.gz DBGYAVRWKHUZAG-CHWSQXEVSA-N 1 0 308.426 2.155 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000248879231 282535469 /nfs/dbraw/zinc/53/54/69/282535469.db2.gz RWAJERALHRTZCC-UHOFOFEASA-N 1 0 308.397 2.217 10 0 DEAERO CSC[C@H]1CCCN1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000121395297 185792737 /nfs/dbraw/zinc/79/27/37/185792737.db2.gz FSYJKXJHGLNWND-ZIAGYGMSSA-N 1 0 301.500 2.500 10 0 DEAERO CCCS(=O)(=O)c1ccc(N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070074004 190855509 /nfs/dbraw/zinc/85/55/09/190855509.db2.gz QARRTKHORDWVTM-AWEZNQCLSA-N 1 0 310.463 2.436 10 0 DEAERO CC[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccc(Br)cc1 ZINC000070285409 190877806 /nfs/dbraw/zinc/87/78/06/190877806.db2.gz RNXVKESTRFMIRT-UONOGXRCSA-N 1 0 313.239 2.430 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000279868905 215194175 /nfs/dbraw/zinc/19/41/75/215194175.db2.gz SZGOYVMQCQQVNZ-OAHLLOKOSA-N 1 0 312.417 2.425 10 0 DEAERO Cc1nn(C)c(C)c1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000180372831 539645195 /nfs/dbraw/zinc/64/51/95/539645195.db2.gz QJCZKJQTGQTVLP-INIZCTEOSA-N 1 0 320.481 2.350 10 0 DEAERO [NH3+][C@H]1CCN(c2cc(-c3ccccn3)nc(-c3cccnc3)n2)C1 ZINC000070455887 190895819 /nfs/dbraw/zinc/89/58/19/190895819.db2.gz LXZQYQFTUQTWPK-AWEZNQCLSA-N 1 0 318.384 2.138 10 0 DEAERO C[C@H]([NH2+]CC(=O)NCC1CCC1)c1ccc2c(c1)OCCO2 ZINC000181756687 539653431 /nfs/dbraw/zinc/65/34/31/539653431.db2.gz AXPLMCDWFMFAEP-LBPRGKRZSA-N 1 0 304.390 2.025 10 0 DEAERO OCC[C@]1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CCOC1 ZINC000182122666 539655413 /nfs/dbraw/zinc/65/54/13/539655413.db2.gz KTSGUZIPCCLMJK-DOTOQJQBSA-N 1 0 309.381 2.418 10 0 DEAERO Cc1nnc(CN2CCC[C@H]2C[NH+]2CCCCC2)n1C1CC1 ZINC000170784592 197823194 /nfs/dbraw/zinc/82/31/94/197823194.db2.gz BAIXANBXMXFKCX-INIZCTEOSA-N 1 0 303.454 2.372 10 0 DEAERO CC[NH2+]CC1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000129966554 185925060 /nfs/dbraw/zinc/92/50/60/185925060.db2.gz DLYVQWGOFMDBNV-JLHYYAGUSA-N 1 0 308.447 2.309 10 0 DEAERO CNC(=O)[C@H]([NH2+]CCOc1ccc(F)cc1Cl)C(C)C ZINC000183638342 539663864 /nfs/dbraw/zinc/66/38/64/539663864.db2.gz JZMXQAFIZMQAOW-CYBMUJFWSA-N 1 0 302.777 2.218 10 0 DEAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1c(C)cccc1C(C)C)C(C)C ZINC000183640303 539663906 /nfs/dbraw/zinc/66/39/06/539663906.db2.gz NDAHIDWTPWWADS-MRXNPFEDSA-N 1 0 319.449 2.417 10 0 DEAERO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C(=O)NC)C(C)C)cc1 ZINC000183663629 539663971 /nfs/dbraw/zinc/66/39/71/539663971.db2.gz VFVABLREGXZSQR-CXAGYDPISA-N 1 0 319.449 2.499 10 0 DEAERO [NH3+]CCc1ncc(-c2ccc(I)cc2)o1 ZINC000083554800 192372711 /nfs/dbraw/zinc/37/27/11/192372711.db2.gz HSQOKUWBYKPCAJ-UHFFFAOYSA-N 1 0 314.126 2.447 10 0 DEAERO CC[C@H](C[NH3+])C(=O)Nc1cccc(I)c1 ZINC000083604102 192375753 /nfs/dbraw/zinc/37/57/53/192375753.db2.gz BSPFJODSSLGBKX-MRVPVSSYSA-N 1 0 318.158 2.215 10 0 DEAERO C[N@H+](CCN1CC[NH+](CC2CC2)CC1)Cc1ccc(F)cc1 ZINC000185192740 539671135 /nfs/dbraw/zinc/67/11/35/539671135.db2.gz LEKOJLKNVZWYSH-UHFFFAOYSA-N 1 0 305.441 2.285 10 0 DEAERO O=S1(=O)CC[C@@H]([NH2+]C[C@H](O)C2CCCCC2)c2ccccc21 ZINC000186167280 539674226 /nfs/dbraw/zinc/67/42/26/539674226.db2.gz IEABJODWVFETAD-CVEARBPZSA-N 1 0 323.458 2.436 10 0 DEAERO C[NH2+][C@@H](c1sc(C)cc1Br)[C@H]1COCCO1 ZINC000083678378 192377396 /nfs/dbraw/zinc/37/73/96/192377396.db2.gz ZRCSAXKMQLGOEB-NXEZZACHSA-N 1 0 306.225 2.495 10 0 DEAERO CC(=O)Nc1cccc([C@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170828588 197831315 /nfs/dbraw/zinc/83/13/15/197831315.db2.gz SZODTJVXMFHNGM-LRDDRELGSA-N 1 0 318.421 2.052 10 0 DEAERO Cc1ccc(S(=O)(=O)NC2(C(N)=[NH2+])CCC(C)CC2)cc1 ZINC000083761858 192381933 /nfs/dbraw/zinc/38/19/33/192381933.db2.gz NCYPUJWSEZDNAQ-UHFFFAOYSA-N 1 0 309.435 2.158 10 0 DEAERO CCOc1ccccc1NC(=O)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000193818349 539715534 /nfs/dbraw/zinc/71/55/34/539715534.db2.gz QZQSNEOBLRIZHY-AWEZNQCLSA-N 1 0 319.449 2.438 10 0 DEAERO [NH3+][C@H](Cc1ccc(I)cc1)[C@@H]1CCCO1 ZINC000083850938 192386327 /nfs/dbraw/zinc/38/63/27/192386327.db2.gz OSQPIVYVXADMAI-NEPJUHHUSA-N 1 0 317.170 2.340 10 0 DEAERO CC[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000133360475 185976840 /nfs/dbraw/zinc/97/68/40/185976840.db2.gz VXHZDQHPTVMQCZ-SECBINFHSA-N 1 0 308.856 2.164 10 0 DEAERO CN(C(=O)c1cncc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231474809 539734928 /nfs/dbraw/zinc/73/49/28/539734928.db2.gz AJXPYUMZRBYHAH-GFCCVEGCSA-N 1 0 312.211 2.058 10 0 DEAERO Cc1nn(C)c(C)c1CCN1Cc2cc(F)cc(F)c2[C@H]1C[NH3+] ZINC000071683261 191007399 /nfs/dbraw/zinc/00/73/99/191007399.db2.gz RWKRWWOLPZVIPM-MRXNPFEDSA-N 1 0 320.387 2.373 10 0 DEAERO [NH3+]C[C@@H]1c2cc(OCc3ccccc3)ccc2CN1CCCO ZINC000071684835 191008187 /nfs/dbraw/zinc/00/81/87/191008187.db2.gz YEWWIQDPFKIVKQ-LJQANCHMSA-N 1 0 312.413 2.463 10 0 DEAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000071700082 191010301 /nfs/dbraw/zinc/01/03/01/191010301.db2.gz VDLVDSDHCQGSGD-UHFFFAOYSA-N 1 0 311.385 2.234 10 0 DEAERO Clc1nnc(Cl)c(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000133687204 186006961 /nfs/dbraw/zinc/00/69/61/186006961.db2.gz CNBJXRFPSWJBGO-UHFFFAOYSA-N 1 0 316.236 2.491 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N1CCC(NC(C)=O)CC1 ZINC000133705462 186008982 /nfs/dbraw/zinc/00/89/82/186008982.db2.gz QOCIHWHZHIFPLE-GDBMZVCRSA-N 1 0 309.479 2.435 10 0 DEAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@H]2CCCO2)cc1F ZINC000245911568 539759373 /nfs/dbraw/zinc/75/93/73/539759373.db2.gz VLLVBYYEQFCXNQ-GZBFAFLISA-N 1 0 308.397 2.468 10 0 DEAERO CCCN(C(C)C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138450554 186016966 /nfs/dbraw/zinc/01/69/66/186016966.db2.gz LSIALVXRVURHPR-UHFFFAOYSA-N 1 0 320.405 2.493 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c(CC[C@@H]3CCCC[NH2+]3)nc21 ZINC000138136958 186014134 /nfs/dbraw/zinc/01/41/34/186014134.db2.gz LWHVFRNUWRITPK-NSHDSACASA-N 1 0 307.419 2.041 10 0 DEAERO C[C@H]1CCC[C@@]([NH3+])(c2nc3c(cccc3S(C)(=O)=O)[nH]2)C1 ZINC000138157007 186014409 /nfs/dbraw/zinc/01/44/09/186014409.db2.gz QMZYXUVYRIGUIP-BONVTDFDSA-N 1 0 307.419 2.331 10 0 DEAERO Cc1ccc([C@@H]2N[C@@H](CC(C)C)C(=O)N2CC[NH+](C)C)s1 ZINC000140032975 186025193 /nfs/dbraw/zinc/02/51/93/186025193.db2.gz QOBTUIVOHDKCPI-DZGCQCFKSA-N 1 0 309.479 2.463 10 0 DEAERO Cc1ccc([C@@H](O)c2c(Cl)cnn2CC[NH+](C)C)c(C)n1 ZINC000140167391 186025943 /nfs/dbraw/zinc/02/59/43/186025943.db2.gz RCAXQVQILZGYPR-OAHLLOKOSA-N 1 0 308.813 2.192 10 0 DEAERO C[NH+](C)CCCN1C(=O)C2(CCCC2)N[C@@H]1c1cccs1 ZINC000140458084 186026587 /nfs/dbraw/zinc/02/65/87/186026587.db2.gz JLRSJJIGIGXVDV-AWEZNQCLSA-N 1 0 307.463 2.443 10 0 DEAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCCNC(C)=O)c1 ZINC000142791821 186032307 /nfs/dbraw/zinc/03/23/07/186032307.db2.gz IUOIPTWCFODNPD-INIZCTEOSA-N 1 0 306.406 2.367 10 0 DEAERO c1ncc(-c2noc([C@@H]3CCCN3C3CC[NH2+]CC3)n2)s1 ZINC000147403499 186039491 /nfs/dbraw/zinc/03/94/91/186039491.db2.gz MJPYJDIFCMTFCN-NSHDSACASA-N 1 0 305.407 2.082 10 0 DEAERO CCCCCN(C)[C@]1(C[NH3+])CCS(=O)(=O)c2ccccc21 ZINC000147643568 186040701 /nfs/dbraw/zinc/04/07/01/186040701.db2.gz HTOSLCGXNJWFIM-INIZCTEOSA-N 1 0 310.463 2.140 10 0 DEAERO C[C@@H]1OCC[C@]12C[NH+]=C(N)N2c1cccc(Br)c1 ZINC000148450575 186044578 /nfs/dbraw/zinc/04/45/78/186044578.db2.gz BCUOVOIOVQUHGG-ZANVPECISA-N 1 0 310.195 2.131 10 0 DEAERO Cc1c(C[NH2+]C2CC2)cccc1S(=O)(=O)N(C)C1CCC1 ZINC000144624261 186035837 /nfs/dbraw/zinc/03/58/37/186035837.db2.gz NERTYZVQKJLNQT-UHFFFAOYSA-N 1 0 308.447 2.420 10 0 DEAERO C[NH2+][C@H](c1sccc1Br)[C@@H]1CN(C)CCN1C ZINC000147280852 186039178 /nfs/dbraw/zinc/03/91/78/186039178.db2.gz FRNOPSWSOPRHKR-QWRGUYRKSA-N 1 0 318.284 2.017 10 0 DEAERO C[C@H]([NH3+])C1CCN(S(=O)(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000149259507 186048625 /nfs/dbraw/zinc/04/86/25/186048625.db2.gz KVCPCKVSMFMHKC-KGLIPLIRSA-N 1 0 310.463 2.179 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000149534020 186051005 /nfs/dbraw/zinc/05/10/05/186051005.db2.gz RMJWNFJHWOQMIY-UTUOFQBUSA-N 1 0 310.360 2.368 10 0 DEAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)CCc1ccccc1 ZINC000149602403 186051427 /nfs/dbraw/zinc/05/14/27/186051427.db2.gz NIDAMGOFJIQFDL-INIZCTEOSA-N 1 0 310.463 2.023 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)NCCCCC(F)(F)F ZINC000149653020 186051617 /nfs/dbraw/zinc/05/16/17/186051617.db2.gz KSKOCPHJAIVWAU-UHFFFAOYSA-N 1 0 304.378 2.027 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)NCCCCC(F)(F)F)s1 ZINC000149651574 186052059 /nfs/dbraw/zinc/05/20/59/186052059.db2.gz STWDDIJXRPRHGQ-UHFFFAOYSA-N 1 0 316.370 2.218 10 0 DEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CCCS2)cc1 ZINC000150031717 186054257 /nfs/dbraw/zinc/05/42/57/186054257.db2.gz ODAPTXPOPBALSF-YPMHNXCESA-N 1 0 314.476 2.141 10 0 DEAERO [NH3+][C@H](Cc1nc(-c2ccccc2)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000150001612 186054285 /nfs/dbraw/zinc/05/42/85/186054285.db2.gz SSVZVNYXZSRYLS-CHWSQXEVSA-N 1 0 322.455 2.115 10 0 DEAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000150130710 186055115 /nfs/dbraw/zinc/05/51/15/186055115.db2.gz PRGSHDSAGABGCU-ISVAXAHUSA-N 1 0 307.337 2.189 10 0 DEAERO CCC[NH2+][C@@H](Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000150186528 186055575 /nfs/dbraw/zinc/05/55/75/186055575.db2.gz YYWDIRBHBXIFII-STQMWFEESA-N 1 0 316.492 2.105 10 0 DEAERO CCC[NH2+][C@@H]1CCCc2nc([C@@H]3CCS(=O)(=O)C3)sc21 ZINC000150257782 186055899 /nfs/dbraw/zinc/05/58/99/186055899.db2.gz CYDLNXBLKFDMJS-GHMZBOCLSA-N 1 0 314.476 2.422 10 0 DEAERO CCC[NH2+][C@H]1CCCc2nc([C@@H]3CCS(=O)(=O)C3)sc21 ZINC000150257988 186056382 /nfs/dbraw/zinc/05/63/82/186056382.db2.gz CYDLNXBLKFDMJS-MNOVXSKESA-N 1 0 314.476 2.422 10 0 DEAERO CCn1c(Sc2ccc(C[NH3+])cc2C(F)(F)F)n[nH]c1=O ZINC000164004772 186145735 /nfs/dbraw/zinc/14/57/35/186145735.db2.gz PBZUUOWJCDJKKE-UHFFFAOYSA-N 1 0 318.324 2.220 10 0 DEAERO CC(C)[NH2+]CCc1ccc(S(=O)(=O)NC2CC(C)C2)cc1 ZINC000164009366 186145945 /nfs/dbraw/zinc/14/59/45/186145945.db2.gz BLEQIJQKQOESSM-UHFFFAOYSA-N 1 0 310.463 2.304 10 0 DEAERO CC(C(=O)Nc1cccc(Cl)c1-n1cccn1)=C1C[NH2+]C1 ZINC000164122014 186149216 /nfs/dbraw/zinc/14/92/16/186149216.db2.gz WZCBQBYWADBQJM-UHFFFAOYSA-N 1 0 302.765 2.384 10 0 DEAERO COc1cc(C[NH2+]C[C@H](C)[S@@](C)=O)cc(Cl)c1OC ZINC000159692618 186135995 /nfs/dbraw/zinc/13/59/95/186135995.db2.gz SLNMNGBDUSLLQT-UGZDLDLSSA-N 1 0 305.827 2.214 10 0 DEAERO C[NH2+][C@@H](c1cccc2cnccc21)[C@@H]1CCCCS1(=O)=O ZINC000164322451 186155721 /nfs/dbraw/zinc/15/57/21/186155721.db2.gz PXVTUQPLQLNBHK-HOTGVXAUSA-N 1 0 304.415 2.463 10 0 DEAERO Cc1cc(Br)cnc1N1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000164470278 186159221 /nfs/dbraw/zinc/15/92/21/186159221.db2.gz ODQADJXVHPBSSC-NSHDSACASA-N 1 0 314.227 2.095 10 0 DEAERO O=C(C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000194279305 186276223 /nfs/dbraw/zinc/27/62/23/186276223.db2.gz VRLKZJSKSIHDHT-INIZCTEOSA-N 1 0 300.402 2.346 10 0 DEAERO CCc1cccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1 ZINC000225630486 186284824 /nfs/dbraw/zinc/28/48/24/186284824.db2.gz NCXJTAYQSJVUIF-OTWHNJEPSA-N 1 0 319.445 2.490 10 0 DEAERO COc1ccc(C)cc1CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171899153 198003912 /nfs/dbraw/zinc/00/39/12/198003912.db2.gz GCYZWDPAMRDIBH-MRXNPFEDSA-N 1 0 317.433 2.036 10 0 DEAERO CC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1nc(C)cs1 ZINC000171907509 198006445 /nfs/dbraw/zinc/00/64/45/198006445.db2.gz WFJJNDOUPUTPRQ-OLZOCXBDSA-N 1 0 308.451 2.392 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3cc(F)ccc3s2)CCO1 ZINC000172306468 198076378 /nfs/dbraw/zinc/07/63/78/198076378.db2.gz YYTLNIXPHJEBLI-CYBMUJFWSA-N 1 0 322.405 2.443 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(-c2ccncc2)s1 ZINC000172826002 198154701 /nfs/dbraw/zinc/15/47/01/198154701.db2.gz HSRQBLJTLASCLT-ZDUSSCGKSA-N 1 0 316.430 2.419 10 0 DEAERO C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172801972 198151088 /nfs/dbraw/zinc/15/10/88/198151088.db2.gz PQVJSXZGAFQREA-GXTWGEPZSA-N 1 0 323.387 2.462 10 0 DEAERO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172805670 198151979 /nfs/dbraw/zinc/15/19/79/198151979.db2.gz TYWZSOSMGNAFBV-ZIAGYGMSSA-N 1 0 312.417 2.154 10 0 DEAERO CCOC(=O)CC[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000173214259 198196341 /nfs/dbraw/zinc/19/63/41/198196341.db2.gz RVUSEMNFFFAMJY-UHFFFAOYSA-N 1 0 318.417 2.142 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC000173261325 198202791 /nfs/dbraw/zinc/20/27/91/198202791.db2.gz GJXUXZICTHXNEU-DOMZBBRYSA-N 1 0 314.426 2.177 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000173269694 198204996 /nfs/dbraw/zinc/20/49/96/198204996.db2.gz ARYZUZAKNGLRSD-IUODEOHRSA-N 1 0 314.426 2.070 10 0 DEAERO Cc1ccncc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333206707 539951620 /nfs/dbraw/zinc/95/16/20/539951620.db2.gz JCHGMKQZDXMPLV-MQVJKMGUSA-N 1 0 302.422 2.205 10 0 DEAERO O=C(N[C@H]1CCOc2ccccc21)N1CCC2(CC[NH2+]2)CC1 ZINC000333249888 539953561 /nfs/dbraw/zinc/95/35/61/539953561.db2.gz GMYHRHQEJSNSQM-AWEZNQCLSA-N 1 0 301.390 2.048 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccccc2F)CC[N@@H+]1C ZINC000173441456 198215664 /nfs/dbraw/zinc/21/56/64/198215664.db2.gz NFCHJFZKIJOORC-UKRRQHHQSA-N 1 0 307.413 2.492 10 0 DEAERO C[C@H](CCc1ccccc1F)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000173522606 198223869 /nfs/dbraw/zinc/22/38/69/198223869.db2.gz LDTMNMKMXACDEL-ZBFHGGJFSA-N 1 0 322.424 2.183 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nc(C)cs1 ZINC000173620309 198233546 /nfs/dbraw/zinc/23/35/46/198233546.db2.gz ORSMIMGMMBSZJR-CHWSQXEVSA-N 1 0 308.451 2.220 10 0 DEAERO C[C@H](CC[NH2+]Cc1cccc(O)c1Br)[S@](C)=O ZINC000315457403 282873603 /nfs/dbraw/zinc/87/36/03/282873603.db2.gz XBWDLCFMZSMNRK-XLFHBGCDSA-N 1 0 320.252 2.401 10 0 DEAERO c1c[nH]c([C@H]([NH2+][C@@H]2CCc3nnnn3CC2)C2CCCCC2)n1 ZINC000333707449 539969760 /nfs/dbraw/zinc/96/97/60/539969760.db2.gz HXNROJMACJLFRH-UKRRQHHQSA-N 1 0 315.425 2.012 10 0 DEAERO CCn1nc(C)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1Cl ZINC000173744208 198247902 /nfs/dbraw/zinc/24/79/02/198247902.db2.gz SGDWTZWXWYUQDG-JQWIXIFHSA-N 1 0 310.829 2.174 10 0 DEAERO Cc1ccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000173969050 198274471 /nfs/dbraw/zinc/27/44/71/198274471.db2.gz QDKNQQAEHLHGTB-MQVJKMGUSA-N 1 0 315.417 2.065 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc3c2OCO3)CC[N@@H+]1C ZINC000174225014 198308500 /nfs/dbraw/zinc/30/85/00/198308500.db2.gz VGZKJXRNGBTJDB-JSGCOSHPSA-N 1 0 319.405 2.039 10 0 DEAERO CSc1nc(C2CC2)nc(C)c1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000174583959 198355803 /nfs/dbraw/zinc/35/58/03/198355803.db2.gz SJNXBIWRKYNAFA-GFCCVEGCSA-N 1 0 320.462 2.160 10 0 DEAERO CC[C@@H]1CN(C(=O)c2cc(C)cc(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174604146 198357288 /nfs/dbraw/zinc/35/72/88/198357288.db2.gz OXQHXLLCKLABSX-NVXWUHKLSA-N 1 0 304.434 2.221 10 0 DEAERO CC[C@@H]1CN(C(=O)Cc2cc(C)ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174638104 198363981 /nfs/dbraw/zinc/36/39/81/198363981.db2.gz JULMHHKUVQQMID-SJLPKXTDSA-N 1 0 318.461 2.150 10 0 DEAERO N#Cc1cccc([C@@H](CN2CC[NH2+]CC2)C2(O)CCCCC2)c1 ZINC000036376953 354165186 /nfs/dbraw/zinc/16/51/86/354165186.db2.gz UXERPKJQDAPBAM-GOSISDBHSA-N 1 0 313.445 2.242 10 0 DEAERO COc1cc2c(cc1OC)[C@H](CC(=O)NCC(C)C)[NH2+]CC2 ZINC000041536466 354175169 /nfs/dbraw/zinc/17/51/69/354175169.db2.gz KRHHHZOJKIVSRB-AWEZNQCLSA-N 1 0 306.406 2.053 10 0 DEAERO CCC[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000236790926 202010483 /nfs/dbraw/zinc/01/04/83/202010483.db2.gz SURFCQUGNYMIQS-ROUUACIJSA-N 1 0 315.461 2.252 10 0 DEAERO CCOc1ccccc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000043332387 354219742 /nfs/dbraw/zinc/21/97/42/354219742.db2.gz ABUUTOOHNDAWEB-CQSZACIVSA-N 1 0 321.421 2.054 10 0 DEAERO Cc1ccc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)c1 ZINC000176875833 198632352 /nfs/dbraw/zinc/63/23/52/198632352.db2.gz DDECRVFVCKKJEI-MRXNPFEDSA-N 1 0 318.461 2.468 10 0 DEAERO CC(C)(C)NC(=O)CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000053143017 354424480 /nfs/dbraw/zinc/42/44/80/354424480.db2.gz OILJFXCYIMKGBY-UHFFFAOYSA-N 1 0 309.498 2.489 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2C(C)(C)C)CC[N@@H+]1C ZINC000092814750 291059934 /nfs/dbraw/zinc/05/99/34/291059934.db2.gz MEUGAMFJJKKYQF-STQMWFEESA-N 1 0 306.454 2.272 10 0 DEAERO c1ccc(N2CCC([NH2+]Cc3nnc4ccccn43)CC2)cc1 ZINC000378895350 540121422 /nfs/dbraw/zinc/12/14/22/540121422.db2.gz VXPGBPHQYHWJGH-UHFFFAOYSA-N 1 0 307.401 2.488 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000380307162 540122308 /nfs/dbraw/zinc/12/23/08/540122308.db2.gz JGVGZAXCGDBZLU-ONGXEEELSA-N 1 0 304.362 2.172 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089930754 355548541 /nfs/dbraw/zinc/54/85/41/355548541.db2.gz ZYHGCCHTMRFKSZ-WBVHZDCISA-N 1 0 304.434 2.128 10 0 DEAERO O=C1[C@H]([NH2+][C@@H]2CCCc3sccc32)CCN1C1CCOCC1 ZINC000367412116 283113806 /nfs/dbraw/zinc/11/38/06/283113806.db2.gz GJNWUIYIKVSTKM-HUUCEWRRSA-N 1 0 320.458 2.495 10 0 DEAERO CCCN(CC[NH+](CC)CC)C(=O)c1cnn2ccc(C)nc12 ZINC000183811614 199646003 /nfs/dbraw/zinc/64/60/03/199646003.db2.gz QOPQJFYJANKQPP-UHFFFAOYSA-N 1 0 317.437 2.232 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnc(C2CC2)nc1 ZINC000103240221 355715546 /nfs/dbraw/zinc/71/55/46/355715546.db2.gz MMHURZOJTHZXFT-GFCCVEGCSA-N 1 0 303.410 2.350 10 0 DEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000113266980 355758269 /nfs/dbraw/zinc/75/82/69/355758269.db2.gz IPJPICUKAFHZRE-CQSZACIVSA-N 1 0 313.239 2.259 10 0 DEAERO C[C@@]1(C[NH+](Cc2ccccc2)Cc2ccccc2)NC(=O)NC1=O ZINC000149755685 355919607 /nfs/dbraw/zinc/91/96/07/355919607.db2.gz WNEOEWOGCKRZSL-IBGZPJMESA-N 1 0 323.396 2.287 10 0 DEAERO CCc1ccc(C[NH+]2CCN(CCN3CCCC3=O)CC2)s1 ZINC000156773017 355953540 /nfs/dbraw/zinc/95/35/40/355953540.db2.gz CUDCVMBGBJAZIH-UHFFFAOYSA-N 1 0 321.490 2.051 10 0 DEAERO Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000156762523 355953918 /nfs/dbraw/zinc/95/39/18/355953918.db2.gz UWZXDRYJKDQFKL-DOMZBBRYSA-N 1 0 324.469 2.498 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000180825891 356061660 /nfs/dbraw/zinc/06/16/60/356061660.db2.gz AVYHUQIXIUKNHH-YYIAUSFCSA-N 1 0 307.482 2.050 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCNC1=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000179062359 356012794 /nfs/dbraw/zinc/01/27/94/356012794.db2.gz DUSHMECWSBSBDU-SUMWQHHRSA-N 1 0 323.396 2.478 10 0 DEAERO O[C@@H](CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC000181681802 356091031 /nfs/dbraw/zinc/09/10/31/356091031.db2.gz VJCQORFAGLHTQF-KBPBESRZSA-N 1 0 308.388 2.498 10 0 DEAERO CN(c1cccc(C(N)=[NH2+])c1)S(=O)(=O)CC1CCCCC1 ZINC000079784230 191972638 /nfs/dbraw/zinc/97/26/38/191972638.db2.gz WLWGBXZAMONMRG-UHFFFAOYSA-N 1 0 309.435 2.317 10 0 DEAERO CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000181965498 356102966 /nfs/dbraw/zinc/10/29/66/356102966.db2.gz WZENSDAWXCLNKK-CYBMUJFWSA-N 1 0 311.344 2.498 10 0 DEAERO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000080156904 192006996 /nfs/dbraw/zinc/00/69/96/192006996.db2.gz LJEUSXNUKYBVQY-FMKPAKJESA-N 1 0 314.495 2.120 10 0 DEAERO Cc1cc(C)cc([C@@H]2CC[N@H+](CC(=O)NC(=O)NC3CC3)C2)c1 ZINC000183484584 356173627 /nfs/dbraw/zinc/17/36/27/356173627.db2.gz NCUKJJSFRDJJGN-CQSZACIVSA-N 1 0 315.417 2.081 10 0 DEAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000183485279 356173814 /nfs/dbraw/zinc/17/38/14/356173814.db2.gz HEEHPSJBWWTPNT-MRXNPFEDSA-N 1 0 301.438 2.370 10 0 DEAERO CC[C@H](C)[C@H](C)NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184958405 356200631 /nfs/dbraw/zinc/20/06/31/356200631.db2.gz VBVCXEXQOADXDJ-ZNMIVQPWSA-N 1 0 313.486 2.155 10 0 DEAERO C[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)[C@@H]1COc2ccccc21 ZINC000185620470 356208572 /nfs/dbraw/zinc/20/85/72/356208572.db2.gz YGCGPOSJZZTGCU-CJNGLKHVSA-N 1 0 321.380 2.349 10 0 DEAERO CCn1c(C)nnc1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000195114383 356249687 /nfs/dbraw/zinc/24/96/87/356249687.db2.gz ZNUQGEFRUBPRSD-UHFFFAOYSA-N 1 0 305.470 2.304 10 0 DEAERO CC[NH2+][C@@H](C)c1csc(N(CCCOC)CCOC)n1 ZINC000080805878 192193485 /nfs/dbraw/zinc/19/34/85/192193485.db2.gz MCHGAICYDLJWKC-LBPRGKRZSA-N 1 0 301.456 2.303 10 0 DEAERO Cc1ccc2ncnc(N3CC[N@@H+](CC(C)(C)O)C[C@H]3C)c2c1 ZINC000249064725 356326992 /nfs/dbraw/zinc/32/69/92/356326992.db2.gz IEDUGODNHBJSMX-CQSZACIVSA-N 1 0 314.433 2.220 10 0 DEAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1coc(Br)c1 ZINC000265215884 356346603 /nfs/dbraw/zinc/34/66/03/356346603.db2.gz CARYGALSOXTBAB-JTQLQIEISA-N 1 0 315.211 2.456 10 0 DEAERO COC[C@@H]1CC[N@H+](Cc2nc3sc(C)c(C)c3c(N)n2)C1 ZINC000081114600 192228012 /nfs/dbraw/zinc/22/80/12/192228012.db2.gz DHFFZUFYKJBKGK-LLVKDONJSA-N 1 0 306.435 2.359 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400781642 283158619 /nfs/dbraw/zinc/15/86/19/283158619.db2.gz PQXLIJPUPSZIMS-WWGRRREGSA-N 1 0 300.443 2.383 10 0 DEAERO CCn1cnnc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400469323 283157206 /nfs/dbraw/zinc/15/72/06/283157206.db2.gz XEVPYIZFGXOIQA-QWHCGFSZSA-N 1 0 323.441 2.033 10 0 DEAERO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401950206 283162164 /nfs/dbraw/zinc/16/21/64/283162164.db2.gz UDYKXRHWRSONBN-IRXDYDNUSA-N 1 0 317.433 2.081 10 0 DEAERO [NH3+][C@]1(c2ncc(Br)cc2Br)CCOC1 ZINC000306215831 356403352 /nfs/dbraw/zinc/40/33/52/356403352.db2.gz BMBAINWRPQHMDX-SECBINFHSA-N 1 0 322.000 2.181 10 0 DEAERO Brc1cc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)cs1 ZINC000404261627 283164765 /nfs/dbraw/zinc/16/47/65/283164765.db2.gz OLCPBIJSFNUCAK-GHMZBOCLSA-N 1 0 317.252 2.073 10 0 DEAERO C[C@@H](NC(=O)N[C@@H]1CCO[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000332975133 356472032 /nfs/dbraw/zinc/47/20/32/356472032.db2.gz JCVLETQRZQIBFP-HGTKMLMNSA-N 1 0 309.454 2.116 10 0 DEAERO C[NH2+][C@@H](CCN1CCn2cnnc2C1)c1cccc(Cl)c1 ZINC000081541527 192286007 /nfs/dbraw/zinc/28/60/07/192286007.db2.gz KJNFJMHIPNZOAY-AWEZNQCLSA-N 1 0 305.813 2.098 10 0 DEAERO CCCN(C(=O)c1cccc(C[S@@](C)=O)c1)C1CC[NH2+]CC1 ZINC000236841412 202034561 /nfs/dbraw/zinc/03/45/61/202034561.db2.gz FQILHAVJWPWWKU-JOCHJYFZSA-N 1 0 322.474 2.169 10 0 DEAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000184670267 199749165 /nfs/dbraw/zinc/74/91/65/199749165.db2.gz RLWYZDHVMQJUIG-QWRGUYRKSA-N 1 0 316.405 2.352 10 0 DEAERO C[C@@H](CNc1nnc(Br)s1)C[NH+]1CCCC1 ZINC000081664929 192308777 /nfs/dbraw/zinc/30/87/77/192308777.db2.gz HVZIUPLVIIQASR-QMMMGPOBSA-N 1 0 305.245 2.444 10 0 DEAERO COC1(OC)CC(C[NH3+])(c2cccc(Br)c2)C1 ZINC000086035357 192546009 /nfs/dbraw/zinc/54/60/09/192546009.db2.gz XNZPPGOJUGQVHN-UHFFFAOYSA-N 1 0 300.196 2.429 10 0 DEAERO CC[C@@H]1CC[C@H](NS(=O)(=O)CCC2CC[NH2+]CC2)[C@@H]1C ZINC000086098909 192547760 /nfs/dbraw/zinc/54/77/60/192547760.db2.gz FQLGKVDEURRWDO-YUELXQCFSA-N 1 0 302.484 2.120 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000382067804 356673685 /nfs/dbraw/zinc/67/36/85/356673685.db2.gz ZCRMQODTEOYSAU-KWQFWETISA-N 1 0 302.205 2.353 10 0 DEAERO C[NH+](C)[C@@H]1CCN(Cc2ccc(Br)cc2C#N)C1 ZINC000385536879 356688791 /nfs/dbraw/zinc/68/87/91/356688791.db2.gz SPFLELHKAIXTHF-CQSZACIVSA-N 1 0 308.223 2.457 10 0 DEAERO C[C@@H]([NH2+]CCn1cncn1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386171515 356694313 /nfs/dbraw/zinc/69/43/13/356694313.db2.gz WNQNDUDRCMHRCB-ZIAGYGMSSA-N 1 0 323.441 2.046 10 0 DEAERO CC(C)(C)c1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)s1 ZINC000400325233 356723189 /nfs/dbraw/zinc/72/31/89/356723189.db2.gz ZOEPJBAVGCGCKF-NSHDSACASA-N 1 0 316.492 2.169 10 0 DEAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)COCc1ccccc1 ZINC000404411581 356733208 /nfs/dbraw/zinc/73/32/08/356733208.db2.gz PALJGAHBGTVGGG-GOSISDBHSA-N 1 0 310.397 2.288 10 0 DEAERO O=C1CCCN1CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000405355035 356734791 /nfs/dbraw/zinc/73/47/91/356734791.db2.gz HVBPWKKTFVHMIO-UHFFFAOYSA-N 1 0 315.186 2.300 10 0 DEAERO c1c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)nnn1CC1CC1 ZINC000428192637 356737899 /nfs/dbraw/zinc/73/78/99/356737899.db2.gz STCGSSSBNSAKRK-OAGGEKHMSA-N 1 0 302.422 2.125 10 0 DEAERO C[C@H]1CCC[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000086889427 192601039 /nfs/dbraw/zinc/60/10/39/192601039.db2.gz UTIZZWIQRUGVJH-DZGCQCFKSA-N 1 0 310.463 2.435 10 0 DEAERO c1cnn(-c2cccc(C[N@@H+]3CC[C@@H](Nc4ncccn4)C3)c2)c1 ZINC000578771039 356870918 /nfs/dbraw/zinc/87/09/18/356870918.db2.gz HRYMXCOMVNJELY-MRXNPFEDSA-N 1 0 320.400 2.349 10 0 DEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)Cc1nc(C)cs1 ZINC000086979417 192604968 /nfs/dbraw/zinc/60/49/68/192604968.db2.gz QMJGAEQECUSZCQ-LBPRGKRZSA-N 1 0 304.481 2.187 10 0 DEAERO CCS(=O)(=O)CCCN1C[C@@H](C(C)C)[NH2+]CC12CCCC2 ZINC000086982267 192606383 /nfs/dbraw/zinc/60/63/83/192606383.db2.gz DJEYPNKQLJDCSC-HNNXBMFYSA-N 1 0 316.511 2.054 10 0 DEAERO CCCCN(C)S(=O)(=O)c1ccc(OCC[NH2+]CC)cc1 ZINC000088915803 192655738 /nfs/dbraw/zinc/65/57/38/192655738.db2.gz IFWUBJWHPBFIRB-UHFFFAOYSA-N 1 0 314.451 2.096 10 0 DEAERO [NH3+]Cc1csc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000088925016 192657864 /nfs/dbraw/zinc/65/78/64/192657864.db2.gz NEPBCWZKFBOEKT-UHFFFAOYSA-N 1 0 308.428 2.348 10 0 DEAERO CC[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc2c(c1)OCCO2 ZINC000178478498 198874615 /nfs/dbraw/zinc/87/46/15/198874615.db2.gz QDIZGLKSWJHSMW-AWEZNQCLSA-N 1 0 319.405 2.042 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000591259098 357695869 /nfs/dbraw/zinc/69/58/69/357695869.db2.gz UXLHDYCFPOXBCH-MRXNPFEDSA-N 1 0 315.417 2.409 10 0 DEAERO CC(C)n1cc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000179496534 199045010 /nfs/dbraw/zinc/04/50/10/199045010.db2.gz APIPGKKIZDKMMP-MRXNPFEDSA-N 1 0 314.437 2.355 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)N(C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000123519219 291124799 /nfs/dbraw/zinc/12/47/99/291124799.db2.gz QHOXCRGBLBGDSW-WMLDXEAASA-N 1 0 307.482 2.335 10 0 DEAERO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000184824704 283318043 /nfs/dbraw/zinc/31/80/43/283318043.db2.gz LBYLWUBRBAEKFU-HZPDHXFCSA-N 1 0 316.380 2.145 10 0 DEAERO COc1ccc(/C=C/C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000237304770 202225322 /nfs/dbraw/zinc/22/53/22/202225322.db2.gz FPMIBDXTNDVWSQ-JDQXGDOCSA-N 1 0 306.381 2.433 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(Cl)cn2)C1 ZINC000180850287 199218209 /nfs/dbraw/zinc/21/82/09/199218209.db2.gz VLJPKKLYLOERFA-GFCCVEGCSA-N 1 0 310.829 2.218 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(Cl)cn1 ZINC000181026885 199242689 /nfs/dbraw/zinc/24/26/89/199242689.db2.gz VREFHFAFZSRDOM-AWEZNQCLSA-N 1 0 310.829 2.361 10 0 DEAERO CC(C)[NH2+]CCCCS(=O)(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000089011522 192697254 /nfs/dbraw/zinc/69/72/54/192697254.db2.gz GBJPLDZRVGHTHS-HOTGVXAUSA-N 1 0 310.463 2.240 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc3ccncc32)[C@H](C)C1 ZINC000185725884 199881260 /nfs/dbraw/zinc/88/12/60/199881260.db2.gz BODHTTQMIDFJHZ-CXAGYDPISA-N 1 0 312.417 2.432 10 0 DEAERO CCC[NH2+]CCCS(=O)(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000089022390 192701659 /nfs/dbraw/zinc/70/16/59/192701659.db2.gz GWAFXNWLUJPEQX-MRXNPFEDSA-N 1 0 310.463 2.195 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)[C@H]1CCCOC1 ZINC000089252228 192751279 /nfs/dbraw/zinc/75/12/79/192751279.db2.gz HARYOLNYFGLYSV-QWRGUYRKSA-N 1 0 316.243 2.048 10 0 DEAERO CCc1nn(C)c(C[C@](C)([NH3+])CCOC)c1Br ZINC000089325014 192767374 /nfs/dbraw/zinc/76/73/74/192767374.db2.gz PWYLLRGXLXTMSM-GFCCVEGCSA-N 1 0 304.232 2.041 10 0 DEAERO CCc1nn(C)c(CO[C@@H]2CCC[C@H]2C[NH3+])c1Br ZINC000089321241 192767265 /nfs/dbraw/zinc/76/72/65/192767265.db2.gz SCKOQZCUIYAHAH-JOYOIKCWSA-N 1 0 316.243 2.389 10 0 DEAERO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CC1(CO)CC1 ZINC000186790607 200011123 /nfs/dbraw/zinc/01/11/23/200011123.db2.gz KNZBUURFEQMKMM-LBPRGKRZSA-N 1 0 310.825 2.049 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000186819340 200016207 /nfs/dbraw/zinc/01/62/07/200016207.db2.gz MWJSSHCQDDDISN-IAQYHMDHSA-N 1 0 318.808 2.254 10 0 DEAERO Cc1noc2nc(C(C)C)cc(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)c12 ZINC000186885088 200026672 /nfs/dbraw/zinc/02/66/72/200026672.db2.gz JUFUUSVWICOONZ-YGRLFVJLSA-N 1 0 316.405 2.382 10 0 DEAERO CCc1cc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)n(C)n1 ZINC000187219920 200078710 /nfs/dbraw/zinc/07/87/10/200078710.db2.gz SRZURUWLZYZOBL-ZDUSSCGKSA-N 1 0 307.442 2.369 10 0 DEAERO CN1C(=O)CCc2cc(C[NH2+][C@@H]3CCCC[C@H]3CO)ccc21 ZINC000187256203 200083904 /nfs/dbraw/zinc/08/39/04/200083904.db2.gz UXDYLQDDXGJZCO-JKSUJKDBSA-N 1 0 302.418 2.236 10 0 DEAERO CN1C(=O)CCc2cc(C[NH2+][C@H]3CCCC[C@H]3CO)ccc21 ZINC000187256221 200084228 /nfs/dbraw/zinc/08/42/28/200084228.db2.gz UXDYLQDDXGJZCO-HOTGVXAUSA-N 1 0 302.418 2.236 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000187484297 200118007 /nfs/dbraw/zinc/11/80/07/200118007.db2.gz CGWOBPILTOMMPQ-KGLIPLIRSA-N 1 0 320.437 2.134 10 0 DEAERO C[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C[C@@H]1CCCO1 ZINC000187816820 200160615 /nfs/dbraw/zinc/16/06/15/200160615.db2.gz PVMMTQGREUXNML-KGLIPLIRSA-N 1 0 304.390 2.018 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000187923893 200177399 /nfs/dbraw/zinc/17/73/99/200177399.db2.gz FRTGOALJEYEQDQ-KBXCAEBGSA-N 1 0 322.424 2.267 10 0 DEAERO CCOc1cccc2[nH]cc(CC(=O)NC[C@@H]3CCC[N@@H+]3C)c21 ZINC000187938342 200180194 /nfs/dbraw/zinc/18/01/94/200180194.db2.gz ZZTPTRBAEXCURO-AWEZNQCLSA-N 1 0 315.417 2.320 10 0 DEAERO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2nccnc2C)c1 ZINC000187832123 200162832 /nfs/dbraw/zinc/16/28/32/200162832.db2.gz ALHTWARONYBQAR-CABCVRRESA-N 1 0 301.390 2.184 10 0 DEAERO CCC[C@@H](C(=O)NCC1(CC(=O)OC)CCCCC1)[NH+](C)C ZINC000186558528 283472172 /nfs/dbraw/zinc/47/21/72/283472172.db2.gz SQGJHFKGWRLTTF-AWEZNQCLSA-N 1 0 312.454 2.347 10 0 DEAERO O=C(CN1CC[C@@H](c2ccco2)C1)Nc1ccc2c(c1)OCO2 ZINC000600687111 359800598 /nfs/dbraw/zinc/80/05/98/359800598.db2.gz SJLJLAJPJJVKFR-GFCCVEGCSA-N 1 0 314.341 2.436 10 0 DEAERO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC[NH2+]CC1 ZINC000237686525 202328975 /nfs/dbraw/zinc/32/89/75/202328975.db2.gz WVMOKJWTJUJQCR-UHFFFAOYSA-N 1 0 323.368 2.442 10 0 DEAERO CCC[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)c1ccccc1 ZINC000515677042 283491436 /nfs/dbraw/zinc/49/14/36/283491436.db2.gz HKQBGMSLVPDZMN-MRXNPFEDSA-N 1 0 319.449 2.054 10 0 DEAERO C[NH2+]C1CCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000237129197 283496851 /nfs/dbraw/zinc/49/68/51/283496851.db2.gz CLZRCYWZTBVNFW-DLBZAZTESA-N 1 0 302.418 2.365 10 0 DEAERO O[C@H](COCc1ccccc1)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189147311 200355594 /nfs/dbraw/zinc/35/55/94/200355594.db2.gz BRFBJUIXLHUYAF-RBUKOAKNSA-N 1 0 319.445 2.455 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccc(-n2cncn2)cc1 ZINC000189314994 200380751 /nfs/dbraw/zinc/38/07/51/200380751.db2.gz BULYZUSYJDQJPZ-ZWNOBZJWSA-N 1 0 314.311 2.231 10 0 DEAERO CCCc1ccc(C(=O)NCCCN2CCC[N@H+](C)CC2)cc1 ZINC000603812304 360859584 /nfs/dbraw/zinc/85/95/84/360859584.db2.gz NNZPGIKQZYONDP-UHFFFAOYSA-N 1 0 317.477 2.397 10 0 DEAERO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCO2 ZINC000604165058 360887493 /nfs/dbraw/zinc/88/74/93/360887493.db2.gz YPKJDZTTZDNROZ-DGCLKSJQSA-N 1 0 317.389 2.012 10 0 DEAERO Cc1cnn(CC[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000606435585 361006419 /nfs/dbraw/zinc/00/64/19/361006419.db2.gz TYPASOMHZTYERR-HNNXBMFYSA-N 1 0 310.405 2.114 10 0 DEAERO O=C([C@@H]1CCCc2n[nH]cc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000134304322 296028604 /nfs/dbraw/zinc/02/86/04/296028604.db2.gz BJXBZDPCLZNPNM-HUUCEWRRSA-N 1 0 316.449 2.307 10 0 DEAERO Cc1cnc(CN(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)o1 ZINC000671563222 540988410 /nfs/dbraw/zinc/98/84/10/540988410.db2.gz CNNAYICRCRXETL-WMLDXEAASA-N 1 0 317.437 2.231 10 0 DEAERO COc1ccc(CNC(=O)CC[C@H](C)[NH3+])cc1Br ZINC000193233727 201010896 /nfs/dbraw/zinc/01/08/96/201010896.db2.gz YCYQNGSRFJGNDA-VIFPVBQESA-N 1 0 315.211 2.201 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccnn1C ZINC000193353633 201037820 /nfs/dbraw/zinc/03/78/20/201037820.db2.gz FYCDSCPDHXDMNV-WFASDCNBSA-N 1 0 316.380 2.011 10 0 DEAERO CC(C)(C)n1cc(CN2CC[NH+](C[C@@H]3CCC=CO3)CC2)cn1 ZINC000193906366 201141620 /nfs/dbraw/zinc/14/16/20/201141620.db2.gz ZYZGIQCBBIWNNQ-KRWDZBQOSA-N 1 0 318.465 2.448 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000194153648 201187845 /nfs/dbraw/zinc/18/78/45/201187845.db2.gz TXYNNFBKSLWTRM-LBPRGKRZSA-N 1 0 323.824 2.187 10 0 DEAERO CCCCC(=O)Nc1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC000006396666 181337295 /nfs/dbraw/zinc/33/72/95/181337295.db2.gz FYHACKVRXUZDGE-UHFFFAOYSA-N 1 0 305.422 2.497 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)C2CCC(O)CC2)ccc1F ZINC000194318130 201202384 /nfs/dbraw/zinc/20/23/84/201202384.db2.gz PCKVLSYFLHNUJV-UHFFFAOYSA-N 1 0 308.397 2.055 10 0 DEAERO COC(=O)C(C)(C)[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccccc1 ZINC000611405092 361593636 /nfs/dbraw/zinc/59/36/36/361593636.db2.gz HGECPBRALZZGID-INIZCTEOSA-N 1 0 318.417 2.043 10 0 DEAERO CC(C)(O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620193907 363988145 /nfs/dbraw/zinc/98/81/45/363988145.db2.gz ODORDDIDUPGADM-MRXNPFEDSA-N 1 0 316.445 2.176 10 0 DEAERO c1cc(C[NH2+]CCNc2cnccn2)n(CCc2ccccc2)n1 ZINC000621340577 364360195 /nfs/dbraw/zinc/36/01/95/364360195.db2.gz JWUKMAUBSCBTOP-UHFFFAOYSA-N 1 0 322.416 2.118 10 0 DEAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+](CCO)CCO ZINC000628370192 366833987 /nfs/dbraw/zinc/83/39/87/366833987.db2.gz CPAYGSCUXZTEDR-FMIVXFBMSA-N 1 0 303.324 2.395 10 0 DEAERO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000621768912 364538962 /nfs/dbraw/zinc/53/89/62/364538962.db2.gz WNFPFXUGUXKFOL-GXSJLCMTSA-N 1 0 304.362 2.030 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C)c(OC)c2)CC12COC2 ZINC000449356933 240390726 /nfs/dbraw/zinc/39/07/26/240390726.db2.gz CVTXRAVPDYQHOU-OAHLLOKOSA-N 1 0 319.401 2.015 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(F)c(C)c2)CC12COC2 ZINC000449361649 240397341 /nfs/dbraw/zinc/39/73/41/240397341.db2.gz JNYWGGJMGXBACG-CQSZACIVSA-N 1 0 307.365 2.146 10 0 DEAERO Cc1cc(C[NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)ccn1 ZINC000623574664 365085862 /nfs/dbraw/zinc/08/58/62/365085862.db2.gz TVLSCQMEANGYFL-HXUWFJFHSA-N 1 0 324.472 2.296 10 0 DEAERO c1ncn(-c2ccccc2C[NH2+]C[C@@H]2Cc3ccccc3CO2)n1 ZINC000623602417 365096443 /nfs/dbraw/zinc/09/64/43/365096443.db2.gz PDUVNVBCPYIWSE-SFHVURJKSA-N 1 0 320.396 2.498 10 0 DEAERO c1nnc2ccc(N3CC[C@@H]([NH2+]C4CCC5(CC5)CC4)C3)nn12 ZINC000623651353 365117445 /nfs/dbraw/zinc/11/74/45/365117445.db2.gz JVQCVBSQKPJZTR-CQSZACIVSA-N 1 0 312.421 2.015 10 0 DEAERO c1nnn(-c2ccccc2)c1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000623729202 365152128 /nfs/dbraw/zinc/15/21/28/365152128.db2.gz SDVAMOJVCNVEQI-QGZVFWFLSA-N 1 0 311.433 2.374 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)N1CC=C(c2ccccc2)CC1 ZINC000091135873 193001075 /nfs/dbraw/zinc/00/10/75/193001075.db2.gz KIAGGNJQHQDEGB-MRXNPFEDSA-N 1 0 302.443 2.397 10 0 DEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000623767608 365168470 /nfs/dbraw/zinc/16/84/70/365168470.db2.gz YPZVDADFYSRYRJ-NWDGAFQWSA-N 1 0 320.614 2.342 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(Br)s1 ZINC000623713380 365141105 /nfs/dbraw/zinc/14/11/05/365141105.db2.gz ZNTYHROHAZZTRH-NXEZZACHSA-N 1 0 319.268 2.492 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCCCO1 ZINC000623853178 365200756 /nfs/dbraw/zinc/20/07/56/365200756.db2.gz PDJXBLUODNPRMP-QXAKKESOSA-N 1 0 318.461 2.435 10 0 DEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])N(C)Cc1ccc(Cl)cc1 ZINC000091322728 193040728 /nfs/dbraw/zinc/04/07/28/193040728.db2.gz MNXMARGXKCSSKP-HNNXBMFYSA-N 1 0 311.857 2.358 10 0 DEAERO Cc1nn(C)c(C[C@](C[NH3+])(c2ccccc2)[C@H](C)O)c1Cl ZINC000091327739 193041797 /nfs/dbraw/zinc/04/17/97/193041797.db2.gz GURJADZAYBJHOF-BLLLJJGKSA-N 1 0 307.825 2.202 10 0 DEAERO CC(C)C[NH2+]Cc1cnn([C@H]2CCS(=O)(=O)C2)c1C(C)C ZINC000091336132 193041915 /nfs/dbraw/zinc/04/19/15/193041915.db2.gz LGNNYSKIWKPKIE-AWEZNQCLSA-N 1 0 313.467 2.112 10 0 DEAERO CC[NH2+][C@H](Cc1ccncc1Cl)C(C)(C)N1CCOCC1 ZINC000091566845 193073301 /nfs/dbraw/zinc/07/33/01/193073301.db2.gz ACJOPJQNIFNZMW-OAHLLOKOSA-N 1 0 311.857 2.366 10 0 DEAERO c1nnc2ccc(N3CC[C@H]([NH2+][C@@H]4CCC45CCCC5)C3)nn12 ZINC000624116241 365294941 /nfs/dbraw/zinc/29/49/41/365294941.db2.gz LKURVGZSHWUNON-UONOGXRCSA-N 1 0 312.421 2.015 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccccc1Br ZINC000624172815 365318753 /nfs/dbraw/zinc/31/87/53/365318753.db2.gz VBDPQNODYWZXBV-VXGBXAGGSA-N 1 0 313.239 2.430 10 0 DEAERO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)CC1CC(O)C1 ZINC000091490862 193064438 /nfs/dbraw/zinc/06/44/38/193064438.db2.gz BUJDEQVIDWCHMZ-UHFFFAOYSA-N 1 0 300.761 2.120 10 0 DEAERO Cc1nc(NC(=O)CC[NH2+]C(C)C)ccc1Br ZINC000091507101 193066106 /nfs/dbraw/zinc/06/61/06/193066106.db2.gz LQCJXBWJPBEXEF-UHFFFAOYSA-N 1 0 300.200 2.479 10 0 DEAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000624238334 365347205 /nfs/dbraw/zinc/34/72/05/365347205.db2.gz PJKVOKKNYKGPLN-MELADBBJSA-N 1 0 312.207 2.176 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccc(Br)c1 ZINC000091666881 193088532 /nfs/dbraw/zinc/08/85/32/193088532.db2.gz YBZFUXJCOJLHOY-SMDDNHRTSA-N 1 0 313.239 2.430 10 0 DEAERO c1cn([C@@H]2CCCN(c3nc4ccccc4n4cncc34)C2)nn1 ZINC000624295368 365370895 /nfs/dbraw/zinc/37/08/95/365370895.db2.gz AMSKZFHBPKWAAQ-CYBMUJFWSA-N 1 0 319.372 2.316 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)CC1CCCCC1 ZINC000091850585 193118363 /nfs/dbraw/zinc/11/83/63/193118363.db2.gz IQQFCRDIFKTGJX-UHFFFAOYSA-N 1 0 302.484 2.488 10 0 DEAERO c1ccc2c(c1)CN(c1ccnc(N3CC[C@H]4COC[C@H]4C3)n1)C2 ZINC000624408744 365413673 /nfs/dbraw/zinc/41/36/73/365413673.db2.gz DEACCNLBMRBWIN-DLBZAZTESA-N 1 0 322.412 2.470 10 0 DEAERO [NH3+]CC1([C@@H](O)c2ccc(Br)cc2F)CCOCC1 ZINC000091911693 193125230 /nfs/dbraw/zinc/12/52/30/193125230.db2.gz YESGMCWCJRFSRI-LBPRGKRZSA-N 1 0 318.186 2.377 10 0 DEAERO CCc1nc(C(C)C)ccc1C(=O)NCCNc1cc[nH+]cc1 ZINC000449815631 241115796 /nfs/dbraw/zinc/11/57/96/241115796.db2.gz RNRACEYAJBZVCY-UHFFFAOYSA-N 1 0 312.417 2.426 10 0 DEAERO COC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000449841381 241152462 /nfs/dbraw/zinc/15/24/62/241152462.db2.gz VCSAYBVPNFUYAV-GOEBONIOSA-N 1 0 322.449 2.195 10 0 DEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cnn(Cc3ccccc3)c1)C2 ZINC000629662557 367292404 /nfs/dbraw/zinc/29/24/04/367292404.db2.gz DBZRPVRYPQKBRR-KDURUIRLSA-N 1 0 310.445 2.363 10 0 DEAERO C[C@H](O)CC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000450513916 241914646 /nfs/dbraw/zinc/91/46/46/241914646.db2.gz BKEAOFQCRDVCFY-NSHDSACASA-N 1 0 311.813 2.156 10 0 DEAERO CS[C@H]1CN(Cc2nnc(C(C)C)s2)C[C@@H]1[NH+](C)C ZINC000450636354 242047606 /nfs/dbraw/zinc/04/76/06/242047606.db2.gz MPKQHKBNTIKDGH-QWRGUYRKSA-N 1 0 300.497 2.139 10 0 DEAERO Cc1nn(C)cc1CC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000450701073 242116921 /nfs/dbraw/zinc/11/69/21/242116921.db2.gz VMHMITPLNZAFMF-KDOFPFPSSA-N 1 0 314.433 2.079 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(C(N)=S)cc1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092085424 193154723 /nfs/dbraw/zinc/15/47/23/193154723.db2.gz YVVPSMUDDZPREQ-TUAOUCFPSA-N 1 0 305.447 2.236 10 0 DEAERO CC(=O)[C@](C)(O)C[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000450827854 242279011 /nfs/dbraw/zinc/27/90/11/242279011.db2.gz JRPFSYJZUPJRBW-CQSZACIVSA-N 1 0 319.323 2.356 10 0 DEAERO [NH3+]C1(CNc2ncc(Cl)cc2Br)CCOCC1 ZINC000630525927 367706683 /nfs/dbraw/zinc/70/66/83/367706683.db2.gz IOLXWPXFPZDNRA-UHFFFAOYSA-N 1 0 320.618 2.417 10 0 DEAERO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@@H]1CCCOC1 ZINC000171589930 283988667 /nfs/dbraw/zinc/98/86/67/283988667.db2.gz AUORJIKNWPUDEC-IAGOWNOFSA-N 1 0 317.433 2.302 10 0 DEAERO Brc1ccccc1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000630585280 367739762 /nfs/dbraw/zinc/73/97/62/367739762.db2.gz APSNKNNWMIFFMA-NSHDSACASA-N 1 0 321.222 2.241 10 0 DEAERO c1c(C[NH2+]C2CCCC2)nnn1C[C@@H]1COc2ccccc2O1 ZINC000630604376 367753186 /nfs/dbraw/zinc/75/31/86/367753186.db2.gz VYGIXZFYGQDQNQ-OAHLLOKOSA-N 1 0 314.389 2.150 10 0 DEAERO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C(N)=S)C[C@H]1C ZINC000092085436 193155444 /nfs/dbraw/zinc/15/54/44/193155444.db2.gz SQRPOQICRGKWRH-TXEJJXNPSA-N 1 0 305.447 2.237 10 0 DEAERO CC[NH2+]CCc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)s1 ZINC000092113647 193161162 /nfs/dbraw/zinc/16/11/62/193161162.db2.gz MOFIWYFAQUSAIS-TXEJJXNPSA-N 1 0 316.492 2.177 10 0 DEAERO CC[NH2+]Cc1ccc(CS(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc1 ZINC000092113494 193161235 /nfs/dbraw/zinc/16/12/35/193161235.db2.gz NCELORPELSRBLJ-KBPBESRZSA-N 1 0 310.463 2.214 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c(C)cc1C ZINC000092113386 193161738 /nfs/dbraw/zinc/16/17/38/193161738.db2.gz IYMDTPLVFLRMTM-ZIAGYGMSSA-N 1 0 310.463 2.299 10 0 DEAERO C[NH2+]CCCc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc1 ZINC000092113938 193161765 /nfs/dbraw/zinc/16/17/65/193161765.db2.gz UYCMYFOSLPEBTP-KBPBESRZSA-N 1 0 310.463 2.115 10 0 DEAERO C[C@H]1CCC[C@H](N(C)S(=O)(=O)c2ccc(C[NH3+])cc2F)C1 ZINC000092115913 193163868 /nfs/dbraw/zinc/16/38/68/193163868.db2.gz CXZHYXCBNDTAMZ-AAEUAGOBSA-N 1 0 314.426 2.484 10 0 DEAERO C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(C[NH3+])cc2F)C1 ZINC000092116279 193164095 /nfs/dbraw/zinc/16/40/95/193164095.db2.gz NKEBNOBKMIXTIR-MNOVXSKESA-N 1 0 300.399 2.094 10 0 DEAERO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCc2cc[nH]c(=O)c2C1 ZINC000277730862 296109101 /nfs/dbraw/zinc/10/91/01/296109101.db2.gz HTEDZUKXLQHLEJ-MRXNPFEDSA-N 1 0 315.417 2.079 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092206599 193173275 /nfs/dbraw/zinc/17/32/75/193173275.db2.gz GVUJBXHMNXCNRQ-VHSXEESVSA-N 1 0 308.403 2.329 10 0 DEAERO Cc1nccnc1[C@H](C)NCc1c(Br)cnn1C ZINC000631684632 368340945 /nfs/dbraw/zinc/34/09/45/368340945.db2.gz NDZABKZGNGBREP-VIFPVBQESA-N 1 0 310.199 2.132 10 0 DEAERO c1cncc([C@H]2C[NH2+]CCN2Cc2cccc3c2CCOC3)c1 ZINC000631825198 368405137 /nfs/dbraw/zinc/40/51/37/368405137.db2.gz BWQPOFMTCMOOIG-LJQANCHMSA-N 1 0 309.413 2.301 10 0 DEAERO CCc1ccc(S(=O)(=O)NC2(C[NH3+])CCCCC2)s1 ZINC000631980018 368478805 /nfs/dbraw/zinc/47/88/05/368478805.db2.gz RMPDEWWCXWDISC-UHFFFAOYSA-N 1 0 302.465 2.250 10 0 DEAERO O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631996212 368486365 /nfs/dbraw/zinc/48/63/65/368486365.db2.gz YBQWJGKQWRJRKS-FZMZJTMJSA-N 1 0 314.838 2.103 10 0 DEAERO CN(CC(C)(C)O)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000092958495 193188660 /nfs/dbraw/zinc/18/86/60/193188660.db2.gz CBCRLRFIUPJVRJ-GFCCVEGCSA-N 1 0 301.228 2.152 10 0 DEAERO C[N@H+](CCCC(=O)Nc1ccc(N)cc1Cl)CC(C)(C)O ZINC000092958355 193188687 /nfs/dbraw/zinc/18/86/87/193188687.db2.gz MFOOZPXOLHPIOY-UHFFFAOYSA-N 1 0 313.829 2.344 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(F)c(Cl)c1 ZINC000261660679 203089294 /nfs/dbraw/zinc/08/92/94/203089294.db2.gz FSFHQDRAZLEBJH-JQEORGNBSA-N 1 0 300.761 2.163 10 0 DEAERO Cc1c(Cl)cccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261929412 203156329 /nfs/dbraw/zinc/15/63/29/203156329.db2.gz LLZQJCIFRRQEJL-OLZOCXBDSA-N 1 0 318.808 2.324 10 0 DEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]CCOC)c1cccc(C)c1 ZINC000093126321 193205438 /nfs/dbraw/zinc/20/54/38/193205438.db2.gz ZQSNLJCLWUWELZ-INIZCTEOSA-N 1 0 313.463 2.139 10 0 DEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]CCOC)c1ccc(C)cc1 ZINC000093137892 193207037 /nfs/dbraw/zinc/20/70/37/193207037.db2.gz HLPCFKOVRTXXTP-INIZCTEOSA-N 1 0 313.463 2.139 10 0 DEAERO C[NH2+]C[C@@H](CCS(C)(=O)=O)c1cccc(Br)c1 ZINC000093167145 193209188 /nfs/dbraw/zinc/20/91/88/193209188.db2.gz VJJUMDGNVOKUPZ-LLVKDONJSA-N 1 0 320.252 2.187 10 0 DEAERO C[NH2+][C@H](C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C)c1cnn(C)c1 ZINC000262525837 203320416 /nfs/dbraw/zinc/32/04/16/203320416.db2.gz LIPAKFHHTYROFQ-JQFCIGGWSA-N 1 0 312.417 2.085 10 0 DEAERO CC(C)NS(=O)(=O)c1ccc(O[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093219634 193218025 /nfs/dbraw/zinc/21/80/25/193218025.db2.gz FUSRGNOCYYDSRJ-JSGCOSHPSA-N 1 0 312.435 2.022 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1O[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093219729 193218466 /nfs/dbraw/zinc/21/84/66/193218466.db2.gz POPOXSLJIKUPJD-QWHCGFSZSA-N 1 0 312.435 2.022 10 0 DEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000093252453 193221076 /nfs/dbraw/zinc/22/10/76/193221076.db2.gz VBWNOCJNSRENMK-NSHDSACASA-N 1 0 302.415 2.341 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000093265743 193222697 /nfs/dbraw/zinc/22/26/97/193222697.db2.gz HLIMGXDIJTXCLG-LLVKDONJSA-N 1 0 302.415 2.341 10 0 DEAERO COCc1cc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)ncn1 ZINC000093314296 193229077 /nfs/dbraw/zinc/22/90/77/193229077.db2.gz AASIGNFWJOFCTN-ZDUSSCGKSA-N 1 0 323.441 2.111 10 0 DEAERO COc1ccc(Br)cc1[C@@H]1CNC(=[NH2+])N1C1CC1 ZINC000093373537 193240656 /nfs/dbraw/zinc/24/06/56/193240656.db2.gz ZEENIYJRUHPLNA-NSHDSACASA-N 1 0 310.195 2.292 10 0 DEAERO CSc1ccc([C@]2(C)CNC(=[NH2+])N2C[C@@H]2CCCO2)cc1 ZINC000093378010 193240738 /nfs/dbraw/zinc/24/07/38/193240738.db2.gz BJHTXPWNWNVFFN-BBRMVZONSA-N 1 0 305.447 2.433 10 0 DEAERO COCCOc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000093437646 193251503 /nfs/dbraw/zinc/25/15/03/193251503.db2.gz SCKWCHRQVIJKID-DOTOQJQBSA-N 1 0 304.434 2.380 10 0 DEAERO CSc1ccc([C@]2(C)CNC(=[NH2+])N2C[C@H]2CCCO2)cc1 ZINC000093378012 193241274 /nfs/dbraw/zinc/24/12/74/193241274.db2.gz BJHTXPWNWNVFFN-CJNGLKHVSA-N 1 0 305.447 2.433 10 0 DEAERO CC(C)CSCCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262697381 203385926 /nfs/dbraw/zinc/38/59/26/203385926.db2.gz BMBADZSWDPSLLV-AWEZNQCLSA-N 1 0 324.494 2.317 10 0 DEAERO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)c1 ZINC000093520527 193262724 /nfs/dbraw/zinc/26/27/24/193262724.db2.gz JRUHVUOSGGKDSP-LLVKDONJSA-N 1 0 312.435 2.119 10 0 DEAERO CC(C)(CNC1=[NH+]C2(CS1)CCCCC2)S(C)(=O)=O ZINC000093524726 193263932 /nfs/dbraw/zinc/26/39/32/193263932.db2.gz ZXCLYDPPVBGWHX-UHFFFAOYSA-N 1 0 304.481 2.205 10 0 DEAERO NC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1nc2ccccc2[nH]1 ZINC000093629104 193276243 /nfs/dbraw/zinc/27/62/43/193276243.db2.gz OIQQIDYNYNVXHO-ZUZCIYMTSA-N 1 0 304.419 2.028 10 0 DEAERO CC1(C)CCC([NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093696991 193291921 /nfs/dbraw/zinc/29/19/21/193291921.db2.gz MYLUXWHMKANBSO-CYBMUJFWSA-N 1 0 302.484 2.216 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093696649 193292119 /nfs/dbraw/zinc/29/21/19/193292119.db2.gz ZSMIKAHOIJBQMI-CABCVRRESA-N 1 0 310.463 2.317 10 0 DEAERO CC[NH2+][C@H](CC[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093697958 193292868 /nfs/dbraw/zinc/29/28/68/193292868.db2.gz AGSQVGVRVQOJBM-UONOGXRCSA-N 1 0 304.500 2.462 10 0 DEAERO CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093699954 193293901 /nfs/dbraw/zinc/29/39/01/193293901.db2.gz UZEHOGXLHDFLJQ-GDBMZVCRSA-N 1 0 310.463 2.399 10 0 DEAERO CCC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H](C)CC ZINC000093700306 193293914 /nfs/dbraw/zinc/29/39/14/193293914.db2.gz ZNWDTIYLWLFRQA-RRFJBIMHSA-N 1 0 304.500 2.462 10 0 DEAERO C[NH2+][C@@H](CSC(C)(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700471 193294123 /nfs/dbraw/zinc/29/41/23/193294123.db2.gz SASUPPZUSASZPU-CHWSQXEVSA-N 1 0 322.540 2.168 10 0 DEAERO CC[C@@H](C[NH2+]C(C)(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701440 193294871 /nfs/dbraw/zinc/29/48/71/193294871.db2.gz USZXSPTTZJZFRF-KGLIPLIRSA-N 1 0 304.500 2.462 10 0 DEAERO CC[NH2+]CC(CC)(CC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701527 193294940 /nfs/dbraw/zinc/29/49/40/193294940.db2.gz KCVNNJAOYLOUOY-AWEZNQCLSA-N 1 0 304.500 2.464 10 0 DEAERO CC(C)[NH2+]CC1(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCC1 ZINC000093701615 193294961 /nfs/dbraw/zinc/29/49/61/193294961.db2.gz IOQHNLYZPGNBLW-AWEZNQCLSA-N 1 0 302.484 2.216 10 0 DEAERO CCC[NH2+]C[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093701400 193295137 /nfs/dbraw/zinc/29/51/37/193295137.db2.gz GQEZTTJCQLAWID-GJZGRUSLSA-N 1 0 304.500 2.320 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2nccc(C)n2)C1 ZINC000093779100 193305852 /nfs/dbraw/zinc/30/58/52/193305852.db2.gz AMCIUBCSQMOUCD-SWLSCSKDSA-N 1 0 308.451 2.043 10 0 DEAERO [NH3+][C@@]1(CO)CCC[C@H](Sc2nnc(C3CC3)n2C2CC2)C1 ZINC000093786493 193307492 /nfs/dbraw/zinc/30/74/92/193307492.db2.gz DNRULZKJQPLMDJ-WFASDCNBSA-N 1 0 308.451 2.215 10 0 DEAERO C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccncc2)CCN1C ZINC000093644849 193281043 /nfs/dbraw/zinc/28/10/43/193281043.db2.gz SRCBLBNNVNANHI-RHSMWYFYSA-N 1 0 313.449 2.397 10 0 DEAERO C[NH2+][C@@H](Cc1cc(F)cc(Br)c1)C(OC)OC ZINC000094000795 193337880 /nfs/dbraw/zinc/33/78/80/193337880.db2.gz OKNGBJKYAGOXJT-NSHDSACASA-N 1 0 306.175 2.338 10 0 DEAERO CC[NH2+][C@]1(C(=O)[O-])CC[C@@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093831888 193315247 /nfs/dbraw/zinc/31/52/47/193315247.db2.gz ZSCVPCDCCNJOHQ-DMDPSCGWSA-N 1 0 308.344 2.246 10 0 DEAERO NC(=O)[C@@]1([NH3+])CC[C@@H](Sc2ccccc2Br)C1 ZINC000093849005 193317455 /nfs/dbraw/zinc/31/74/55/193317455.db2.gz MYDLRLCXMAGURA-PRHODGIISA-N 1 0 315.236 2.277 10 0 DEAERO NC(=O)[C@]1([NH2+]C2CC2)CC[C@H](Sc2ncccc2Cl)C1 ZINC000093854120 193319725 /nfs/dbraw/zinc/31/97/25/193319725.db2.gz JTUGHOBCIDXPEF-HZMBPMFUSA-N 1 0 311.838 2.356 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cccc(F)c1 ZINC000093878257 193322315 /nfs/dbraw/zinc/32/23/15/193322315.db2.gz UXWOJBWNNCZKQP-UHFFFAOYSA-N 1 0 302.415 2.211 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cccc(Cl)c1F ZINC000093878160 193322440 /nfs/dbraw/zinc/32/24/40/193322440.db2.gz QETMVZXIIDHZGL-UHFFFAOYSA-N 1 0 322.833 2.475 10 0 DEAERO C[NH2+][C@@H](Cc1csc2ccccc12)[C@@H]1CN(C)CCN1C ZINC000093894372 193324324 /nfs/dbraw/zinc/32/43/24/193324324.db2.gz REZTZWMFEFAOAL-HOTGVXAUSA-N 1 0 303.475 2.278 10 0 DEAERO CN1CCN(C)[C@H](c2nc(C[NH3+])c(-c3ccccc3)s2)C1 ZINC000093896516 193324868 /nfs/dbraw/zinc/32/48/68/193324868.db2.gz RVGPYETYZSOQRZ-AWEZNQCLSA-N 1 0 302.447 2.187 10 0 DEAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccccc1F ZINC000094023983 193339126 /nfs/dbraw/zinc/33/91/26/193339126.db2.gz DDVSCEIQMTXBFL-UHFFFAOYSA-N 1 0 314.426 2.226 10 0 DEAERO COc1ccc(Cl)cc1C[C@@H]([NH3+])[C@H]1CN(C(C)C)CCO1 ZINC000093925748 193328716 /nfs/dbraw/zinc/32/87/16/193328716.db2.gz SUKROIKBYYFKFX-GDBMZVCRSA-N 1 0 312.841 2.328 10 0 DEAERO CCC[NH2+][C@@H](Cc1csc(C)n1)[C@H]1CN(C(C)C)CCO1 ZINC000093928718 193329549 /nfs/dbraw/zinc/32/95/49/193329549.db2.gz SYGNVKSAVHEMFF-JKSUJKDBSA-N 1 0 311.495 2.471 10 0 DEAERO CC(C)(C)c1csc(C[C@H]([NH3+])C(C)(C)N2CCOCC2)n1 ZINC000094256854 193355116 /nfs/dbraw/zinc/35/51/16/193355116.db2.gz AWJKGXAFIRJIGL-LBPRGKRZSA-N 1 0 311.495 2.421 10 0 DEAERO CC[NH2+][C@@H](Cc1nc(C(C)(C)C)cs1)[C@@H]1CN(C)CCO1 ZINC000094256908 193355553 /nfs/dbraw/zinc/35/55/53/193355553.db2.gz YACAAMYQOCBWIX-STQMWFEESA-N 1 0 311.495 2.292 10 0 DEAERO [NH3+]C1(CC(=O)Nc2cccc(Cl)c2-n2cncn2)CCC1 ZINC000094294070 193356827 /nfs/dbraw/zinc/35/68/27/193356827.db2.gz WMCQHLHUZHTJGI-UHFFFAOYSA-N 1 0 305.769 2.131 10 0 DEAERO CC1(C)CCCC[C@H]1NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000094330106 193359766 /nfs/dbraw/zinc/35/97/66/193359766.db2.gz BSLSQNSNLXRCJQ-UONOGXRCSA-N 1 0 302.484 2.407 10 0 DEAERO CC[C@H](CC[NH3+])N1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094051890 193341777 /nfs/dbraw/zinc/34/17/77/193341777.db2.gz BGIPVGHSTNRDLY-GFCCVEGCSA-N 1 0 300.809 2.124 10 0 DEAERO Cc1cc(NC(=O)[C@]2(C)CCC[NH2+]C2)ncc1Br ZINC000094063658 193342634 /nfs/dbraw/zinc/34/26/34/193342634.db2.gz VWGCLWRLPWLDPJ-CYBMUJFWSA-N 1 0 312.211 2.481 10 0 DEAERO CC[NH2+][C@H](Cc1ncnn1C)c1ncc(Cl)cc1Cl ZINC000094201097 193348778 /nfs/dbraw/zinc/34/87/78/193348778.db2.gz KLYREMRIVKDHGB-SNVBAGLBSA-N 1 0 300.193 2.410 10 0 DEAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1OCCS(C)(=O)=O ZINC000094620275 193385406 /nfs/dbraw/zinc/38/54/06/193385406.db2.gz ROOCWVQCSZFMMN-NSHDSACASA-N 1 0 303.399 2.310 10 0 DEAERO CC1CCC(C[NH3+])(O[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094634076 193385437 /nfs/dbraw/zinc/38/54/37/193385437.db2.gz UMGJENGCCREVBP-PIOWNMBXSA-N 1 0 303.468 2.266 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CCCN([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094638663 193388113 /nfs/dbraw/zinc/38/81/13/193388113.db2.gz COFXGFADQFWDQA-XHSDSOJGSA-N 1 0 316.511 2.052 10 0 DEAERO CC(C)(C)[NH2+]Cc1cnn([C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000094644009 193389672 /nfs/dbraw/zinc/38/96/72/193389672.db2.gz ILHXQKOQNVHOER-KGLIPLIRSA-N 1 0 313.467 2.300 10 0 DEAERO COc1cc(Br)c([C@@H](O)[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000094649992 193390426 /nfs/dbraw/zinc/39/04/26/193390426.db2.gz DLCWPBSKHNCVMW-MFKMUULPSA-N 1 0 316.195 2.252 10 0 DEAERO CC(C)(C)[NH2+]Cc1ncnn1[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000094412844 193368238 /nfs/dbraw/zinc/36/82/38/193368238.db2.gz SRANWOUADFREMP-IUODEOHRSA-N 1 0 310.467 2.393 10 0 DEAERO CCOC(=O)C[N@H+](CC)[C@H]1CCOC2(CCSCC2)C1 ZINC000094410541 193368681 /nfs/dbraw/zinc/36/86/81/193368681.db2.gz PQEYAXDQJVELPM-ZDUSSCGKSA-N 1 0 301.452 2.316 10 0 DEAERO CC(C)(C)[NH2+]Cc1ncnn1[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000094412847 193369086 /nfs/dbraw/zinc/36/90/86/193369086.db2.gz SRANWOUADFREMP-WFASDCNBSA-N 1 0 310.467 2.393 10 0 DEAERO CCOC(=O)C[C@@]1([NH+]2CCOCC2)CSCCC1(C)C ZINC000094485582 193372809 /nfs/dbraw/zinc/37/28/09/193372809.db2.gz NPXAFKKQOXZVJL-OAHLLOKOSA-N 1 0 301.452 2.174 10 0 DEAERO CC[NH+](CC)CCOc1nc(Br)cn2ccnc12 ZINC000094486068 193372909 /nfs/dbraw/zinc/37/29/09/193372909.db2.gz IRSXPIDHGAMXRD-UHFFFAOYSA-N 1 0 313.199 2.212 10 0 DEAERO CC[NH2+][C@@H](Cc1nc2ccccc2n1C)[C@H]1CSCCO1 ZINC000094503607 193374371 /nfs/dbraw/zinc/37/43/71/193374371.db2.gz YTIFEENBBHUPKH-DZGCQCFKSA-N 1 0 305.447 2.226 10 0 DEAERO CC[NH2+][C@@H](Cc1ncc(C)c(OC)c1C)[C@@H]1CSCCO1 ZINC000094503457 193374482 /nfs/dbraw/zinc/37/44/82/193374482.db2.gz ZDDDAWZLVGYGBO-GJZGRUSLSA-N 1 0 310.463 2.360 10 0 DEAERO CCn1nc(C[C@H]([NH2+]C)[C@H]2CSCCO2)c2ccccc21 ZINC000094503379 193374982 /nfs/dbraw/zinc/37/49/82/193374982.db2.gz ZUOWYZSSWQXICP-GOEBONIOSA-N 1 0 305.447 2.319 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](C)C[C@H]([NH3+])C1 ZINC000094550449 193378931 /nfs/dbraw/zinc/37/89/31/193378931.db2.gz USNPPUSPSAOPSK-KOLCDFICSA-N 1 0 302.827 2.006 10 0 DEAERO Cc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H]([NH3+])C2)c(Cl)c1 ZINC000094550187 193378988 /nfs/dbraw/zinc/37/89/88/193378988.db2.gz HUIJQBKAEJLQEA-QWRGUYRKSA-N 1 0 302.827 2.006 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2c3ncsc3ccc2Cl)O1 ZINC000094565873 193380679 /nfs/dbraw/zinc/38/06/79/193380679.db2.gz JVCUKZXTHWOWPK-APPZFPTMSA-N 1 0 311.794 2.395 10 0 DEAERO [NH3+]Cc1ccc(C(=O)Nc2cc(Br)ccc2O)o1 ZINC000094573672 193381384 /nfs/dbraw/zinc/38/13/84/193381384.db2.gz XRMRJBOOINTZHH-UHFFFAOYSA-N 1 0 311.135 2.459 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(Br)c(F)c2)O1 ZINC000094572767 193381794 /nfs/dbraw/zinc/38/17/94/193381794.db2.gz RXHYPGAGAWKPFM-KCJUWKMLSA-N 1 0 317.158 2.033 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000094596191 193382226 /nfs/dbraw/zinc/38/22/26/193382226.db2.gz NJSLWFYVSDBLEF-JTQLQIEISA-N 1 0 301.312 2.064 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)Nc1nc2ccc(Br)cn2n1 ZINC000094604217 193383863 /nfs/dbraw/zinc/38/38/63/193383863.db2.gz BZBDOAZHHVRTSE-JTQLQIEISA-N 1 0 324.226 2.388 10 0 DEAERO Brc1ccc2nc(NCC[C@@H]3CCC[NH2+]C3)nn2c1 ZINC000094608166 193384669 /nfs/dbraw/zinc/38/46/69/193384669.db2.gz OKSWHCJXFVOWND-JTQLQIEISA-N 1 0 324.226 2.293 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCCN1c1nc2ccc(Br)cn2n1 ZINC000094607985 193384685 /nfs/dbraw/zinc/38/46/85/193384685.db2.gz YPWRAIDNWHOYOJ-MWLCHTKSSA-N 1 0 324.226 2.198 10 0 DEAERO CCC[NH2+][C@H](Cc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000094713263 193392931 /nfs/dbraw/zinc/39/29/31/193392931.db2.gz QRKVPPXFLKQCIR-GXTWGEPZSA-N 1 0 317.401 2.310 10 0 DEAERO CC[NH2+][C@@H](C)c1cc(F)ccc1OCCS(=O)(=O)CC ZINC000094618983 193385009 /nfs/dbraw/zinc/38/50/09/193385009.db2.gz XIKYRNLWYIYPMA-NSHDSACASA-N 1 0 303.399 2.310 10 0 DEAERO CCC[NH2+]C[C@@H](C)S(=O)(=O)NCc1sccc1CC ZINC000094886932 193404885 /nfs/dbraw/zinc/40/48/85/193404885.db2.gz CZMPKCUIKVEMMW-LLVKDONJSA-N 1 0 304.481 2.118 10 0 DEAERO C[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000094765851 193396192 /nfs/dbraw/zinc/39/61/92/193396192.db2.gz OHNDBKLYYAWOGJ-NWDGAFQWSA-N 1 0 314.426 2.038 10 0 DEAERO CC[NH2+][C@H](C)c1cc(F)c(C)cc1N1CCS(=O)(=O)CC1 ZINC000094765783 193396388 /nfs/dbraw/zinc/39/63/88/193396388.db2.gz VTUPJONLUZMTRQ-GFCCVEGCSA-N 1 0 314.426 2.039 10 0 DEAERO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@]2(CC=CCC2)C1 ZINC000188901319 296159249 /nfs/dbraw/zinc/15/92/49/296159249.db2.gz MEUCXMHPICXONZ-QGZVFWFLSA-N 1 0 300.406 2.018 10 0 DEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000282449639 217002735 /nfs/dbraw/zinc/00/27/35/217002735.db2.gz SJBURQKYJKTCJD-CBAPKCEASA-N 1 0 303.225 2.267 10 0 DEAERO O=C(Nc1cccc(-n2cccn2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000264744456 204121510 /nfs/dbraw/zinc/12/15/10/204121510.db2.gz PZTVNPJXNYIDAU-INIZCTEOSA-N 1 0 311.389 2.184 10 0 DEAERO COC(=O)[C@H](c1ccccc1C)N1CCC[N@@H+](C2CC2)CC1 ZINC000184487473 284303102 /nfs/dbraw/zinc/30/31/02/284303102.db2.gz OKRQGKQCXTXXIC-KRWDZBQOSA-N 1 0 302.418 2.379 10 0 DEAERO CCC[NH2+]C[C@@](C)(O)Cc1c(Br)c(C)nn1CC ZINC000097210201 193691852 /nfs/dbraw/zinc/69/18/52/193691852.db2.gz FAPDGXKCYGSFQM-ZDUSSCGKSA-N 1 0 318.259 2.267 10 0 DEAERO C[NH+](C)C[C@@H]1C[C@H](O)CN1Cc1c(Cl)cccc1Cl ZINC000097265150 193702005 /nfs/dbraw/zinc/70/20/05/193702005.db2.gz DAWAFSFETPIAEP-QWRGUYRKSA-N 1 0 303.233 2.490 10 0 DEAERO Cc1nn(C)c(C[C@@H]([NH3+])CCc2cccnc2)c1Br ZINC000097278977 193703595 /nfs/dbraw/zinc/70/35/95/193703595.db2.gz AUODUXCNLLOABM-LBPRGKRZSA-N 1 0 323.238 2.389 10 0 DEAERO C[NH2+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1ccc2ncccc2c1 ZINC000097344325 193709070 /nfs/dbraw/zinc/70/90/70/193709070.db2.gz FMAXQFJTKJVOQF-WBMJQRKESA-N 1 0 304.415 2.320 10 0 DEAERO c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@H]1COCCN1)CCCC2 ZINC000530220131 284376753 /nfs/dbraw/zinc/37/67/53/284376753.db2.gz IZXVZSKHXNYCNQ-WMZOPIPTSA-N 1 0 316.445 2.357 10 0 DEAERO CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)C2 ZINC000530289638 284396492 /nfs/dbraw/zinc/39/64/92/284396492.db2.gz FKVROCGMKNQUAX-MGPQQGTHSA-N 1 0 318.465 2.189 10 0 DEAERO [NH3+]C1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000019688434 182136643 /nfs/dbraw/zinc/13/66/43/182136643.db2.gz WBNOGMMWGVTUCJ-UHFFFAOYSA-N 1 0 302.205 2.355 10 0 DEAERO [NH3+]CCCN1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000019688195 182136666 /nfs/dbraw/zinc/13/66/66/182136666.db2.gz IRRFNUOLUAVSDC-UHFFFAOYSA-N 1 0 302.249 2.460 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000019766830 182144791 /nfs/dbraw/zinc/14/47/91/182144791.db2.gz OSMISCHVEGNKOU-IUODEOHRSA-N 1 0 302.374 2.289 10 0 DEAERO O=C(Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020505407 182226090 /nfs/dbraw/zinc/22/60/90/182226090.db2.gz DYHXQBLYUDCING-MUWHJKNJSA-N 1 0 309.580 2.308 10 0 DEAERO C[C@H]1CCc2nn(CC(=O)NCC[NH+]3CCCCCC3)cc2C1 ZINC000020865888 182250927 /nfs/dbraw/zinc/25/09/27/182250927.db2.gz ZAMHMFZUVSTOTL-HNNXBMFYSA-N 1 0 318.465 2.000 10 0 DEAERO Cc1ccccc1[C@H](C[NH3+])N1CCN(c2nccs2)CC1 ZINC000021806762 182291383 /nfs/dbraw/zinc/29/13/83/182291383.db2.gz OGGRWCPFKBCHCZ-HNNXBMFYSA-N 1 0 302.447 2.274 10 0 DEAERO CCc1noc(C)c1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000155481368 291606099 /nfs/dbraw/zinc/60/60/99/291606099.db2.gz NHBDQAMTAZCYEP-CYBMUJFWSA-N 1 0 324.425 2.120 10 0 DEAERO CCC(CC)[C@H](CNC(=O)c1nnc(Cl)s1)[NH+](C)C ZINC000159856969 197368770 /nfs/dbraw/zinc/36/87/70/197368770.db2.gz ZLFQSTKCUZQKQX-VIFPVBQESA-N 1 0 304.847 2.288 10 0 DEAERO CCOc1ccccc1C(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000036233194 182810430 /nfs/dbraw/zinc/81/04/30/182810430.db2.gz BKUVBALENYAKTK-UHFFFAOYSA-N 1 0 303.387 2.440 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cn(-c2cccc(C)c2)nn1 ZINC000101641253 193831765 /nfs/dbraw/zinc/83/17/65/193831765.db2.gz ZSXNYOVOJILCFO-CQSZACIVSA-N 1 0 315.421 2.036 10 0 DEAERO CCC[NH+]1CCC(NC(=O)c2cc(C)cc(C(=O)OC)c2)CC1 ZINC000457406277 247788658 /nfs/dbraw/zinc/78/86/58/247788658.db2.gz SIMXAEXRAQCFDN-UHFFFAOYSA-N 1 0 318.417 2.386 10 0 DEAERO COC[C@@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458231619 248221037 /nfs/dbraw/zinc/22/10/37/248221037.db2.gz HGPHUPJSWKXAEE-DOTOQJQBSA-N 1 0 319.449 2.405 10 0 DEAERO Cc1cc(OC[C@H](O)C[NH2+]C[C@H]2CCCOC2)ccc1Cl ZINC000038045398 182979165 /nfs/dbraw/zinc/97/91/65/182979165.db2.gz IIPFDJHVVXZHOS-ZIAGYGMSSA-N 1 0 313.825 2.404 10 0 DEAERO C[C@@H]1C[NH+](CCC(=O)Nc2ccc(N)cc2Cl)C[C@@H](C)O1 ZINC000040162728 183042420 /nfs/dbraw/zinc/04/24/20/183042420.db2.gz ILUQUBSHRSBROX-GHMZBOCLSA-N 1 0 311.813 2.360 10 0 DEAERO O=C(C[NH2+][C@H]1CCc2cc(Br)ccc21)NC1CC1 ZINC000040226869 183048120 /nfs/dbraw/zinc/04/81/20/183048120.db2.gz GQHMOAAIHXVALG-ZDUSSCGKSA-N 1 0 309.207 2.305 10 0 DEAERO CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000040429214 183065669 /nfs/dbraw/zinc/06/56/69/183065669.db2.gz NCHBJTAUZGMGAG-LLVKDONJSA-N 1 0 308.403 2.493 10 0 DEAERO CC(C)[C@H](CNC(=O)c1cc(Br)c[nH]1)[NH+](C)C ZINC000040430616 183066258 /nfs/dbraw/zinc/06/62/58/183066258.db2.gz BIMBLUPVVQQONO-NSHDSACASA-N 1 0 302.216 2.093 10 0 DEAERO Cc1cc(C)c(C(N)=S)c(N(C)CCc2ccccn2)[nH+]1 ZINC000040510163 183086021 /nfs/dbraw/zinc/08/60/21/183086021.db2.gz JTEGDGQEKQBCPS-UHFFFAOYSA-N 1 0 300.431 2.407 10 0 DEAERO CN1CCC[C@H]([NH2+]Cc2ccc(I)o2)C1 ZINC000040672955 183116386 /nfs/dbraw/zinc/11/63/86/183116386.db2.gz KKMIKQDDLDNUKU-VIFPVBQESA-N 1 0 320.174 2.068 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C(C)(C)C(N)=O)cc1Br ZINC000040674601 183116480 /nfs/dbraw/zinc/11/64/80/183116480.db2.gz BYVWRYCEZLLJAG-MRVPVSSYSA-N 1 0 315.211 2.372 10 0 DEAERO CC[C@@H](C)N1C(=O)C[C@@H]([NH2+]Cc2cc3c(s2)CCC3)C1=O ZINC000040626696 183110508 /nfs/dbraw/zinc/11/05/08/183110508.db2.gz RCMXYIMYPTYFCH-ZWNOBZJWSA-N 1 0 306.431 2.252 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000040776920 183132601 /nfs/dbraw/zinc/13/26/01/183132601.db2.gz ZKHWNDCRJATCOS-UONOGXRCSA-N 1 0 301.814 2.076 10 0 DEAERO CCC[C@H]([NH3+])C(=O)NCc1cc(Br)ccc1F ZINC000041069549 183162255 /nfs/dbraw/zinc/16/22/55/183162255.db2.gz MNTCRGNOSHGMJX-NSHDSACASA-N 1 0 303.175 2.332 10 0 DEAERO NC(=[NH2+])c1ccc(OCCn2cc(Br)cn2)cc1 ZINC000041068741 183162380 /nfs/dbraw/zinc/16/23/80/183162380.db2.gz BSOUNKIKTYWLGS-UHFFFAOYSA-N 1 0 309.167 2.009 10 0 DEAERO COc1ccc([C@@H]([NH3+])CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000041533093 183199027 /nfs/dbraw/zinc/19/90/27/183199027.db2.gz IMYDLZXLVLHYGA-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO CCCc1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000041604805 183209450 /nfs/dbraw/zinc/20/94/50/183209450.db2.gz RKTLRMUJSXVAQR-AWEZNQCLSA-N 1 0 319.449 2.424 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1NCCCC[NH+](C)C ZINC000041675598 183215162 /nfs/dbraw/zinc/21/51/62/183215162.db2.gz JELUCXSHCJSOPM-UHFFFAOYSA-N 1 0 313.467 2.127 10 0 DEAERO CCN(C[C@@H](C)C[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000042442253 183271269 /nfs/dbraw/zinc/27/12/69/183271269.db2.gz OFXYVICUBVHXLS-JTQLQIEISA-N 1 0 306.378 2.104 10 0 DEAERO CCN(C[C@@H](C)C[NH3+])c1ccccc1S(=O)(=O)C(F)F ZINC000042442261 183271291 /nfs/dbraw/zinc/27/12/91/183271291.db2.gz RZNNIAMPIJFYEM-JTQLQIEISA-N 1 0 306.378 2.104 10 0 DEAERO COCCN(C)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000042458660 183272743 /nfs/dbraw/zinc/27/27/43/183272743.db2.gz CQMAWCLENGAWTH-LBPRGKRZSA-N 1 0 305.191 2.166 10 0 DEAERO CC(C)[N@H+](CCCO)CCC(=O)Nc1ccc(N)cc1Cl ZINC000042482950 183275377 /nfs/dbraw/zinc/27/53/77/183275377.db2.gz BGYVNIWRRHDLKI-UHFFFAOYSA-N 1 0 313.829 2.344 10 0 DEAERO CCC[NH2+]C1(c2nc3c(s2)CCC3)CCS(=O)(=O)CC1 ZINC000042333258 183255332 /nfs/dbraw/zinc/25/53/32/183255332.db2.gz ZYGCHTPSOOZMRM-UHFFFAOYSA-N 1 0 314.476 2.035 10 0 DEAERO CC(C)[NH2+]C1(c2nc3c(s2)CCC3)CCS(=O)(=O)CC1 ZINC000042333278 183255489 /nfs/dbraw/zinc/25/54/89/183255489.db2.gz IOFQHXWHNLIFFK-UHFFFAOYSA-N 1 0 314.476 2.034 10 0 DEAERO CNC(=O)[C@@H]1CCCN1c1cccc(Cl)c1C[NH2+]C1CC1 ZINC000042395665 183263607 /nfs/dbraw/zinc/26/36/07/183263607.db2.gz FNEOJSNBJIBMDB-HNNXBMFYSA-N 1 0 307.825 2.307 10 0 DEAERO C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000042609410 183290734 /nfs/dbraw/zinc/29/07/34/183290734.db2.gz RXQDASQPQYSKKO-CZUORRHYSA-N 1 0 310.463 2.486 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000042845192 183313488 /nfs/dbraw/zinc/31/34/88/183313488.db2.gz DAMDYSHRNRWZDE-ZDUSSCGKSA-N 1 0 323.437 2.406 10 0 DEAERO COc1ccc(OC)c([C@H](C[NH3+])N(C)Cc2cscn2)c1 ZINC000042864447 183315290 /nfs/dbraw/zinc/31/52/90/183315290.db2.gz ACNRPAWMDDQWIL-AWEZNQCLSA-N 1 0 307.419 2.292 10 0 DEAERO [NH3+]C[C@@H](c1cccc(Br)c1)N1CCC[C@H](CO)C1 ZINC000043020892 183330092 /nfs/dbraw/zinc/33/00/92/183330092.db2.gz QGRPHEKWOWAQHO-FZMZJTMJSA-N 1 0 313.239 2.153 10 0 DEAERO CC(C)N(CC(F)(F)F)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000042768696 183307108 /nfs/dbraw/zinc/30/71/08/183307108.db2.gz UEJBOVFGJPKHJM-UHFFFAOYSA-N 1 0 324.368 2.248 10 0 DEAERO C[C@H](N(C)S(=O)(=O)c1ccc(CC[NH3+])s1)C(C)(C)C ZINC000042782307 183308447 /nfs/dbraw/zinc/30/84/47/183308447.db2.gz XRTWRLJYYQTZOP-JTQLQIEISA-N 1 0 304.481 2.304 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccsc1)N1CCN(c2nccs2)CC1 ZINC000043115974 183338912 /nfs/dbraw/zinc/33/89/12/183338912.db2.gz YJGKYVXXAWFEHM-AAEUAGOBSA-N 1 0 308.476 2.415 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N1CCC[C@@H]1C(=O)N(C)C ZINC000043240631 183345731 /nfs/dbraw/zinc/34/57/31/183345731.db2.gz NTLGGNCZQGRULR-UMVBOHGHSA-N 1 0 309.479 2.388 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1sccc1C)N(C)CC(=O)N1CCCC1 ZINC000043248498 183347085 /nfs/dbraw/zinc/34/70/85/183347085.db2.gz HWPLOMQDTDAMGR-ZFWWWQNUSA-N 1 0 309.479 2.389 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N1CCN(C)CC1 ZINC000043258590 183348200 /nfs/dbraw/zinc/34/82/00/183348200.db2.gz BQAMDGSPYVZYIT-JOYOIKCWSA-N 1 0 318.284 2.146 10 0 DEAERO COc1ccc2cc([C@H]([NH3+])[C@@H]3CCS(=O)(=O)C3)ccc2c1 ZINC000043299893 183351563 /nfs/dbraw/zinc/35/15/63/183351563.db2.gz RSBUXWTYMDOQNO-ZBFHGGJFSA-N 1 0 305.399 2.283 10 0 DEAERO [NH3+][C@@H](c1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300041 183352124 /nfs/dbraw/zinc/35/21/24/183352124.db2.gz VCLCQEYSXYHCJV-LDYMZIIASA-N 1 0 309.309 2.020 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Oc1cccc(S(C)(=O)=O)c1)C(F)(F)F ZINC000043385225 183357889 /nfs/dbraw/zinc/35/78/89/183357889.db2.gz DAHNVFGACRWVEC-WDEREUQCSA-N 1 0 311.325 2.137 10 0 DEAERO CC[NH2+]Cc1ccc(O[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000043478944 183365667 /nfs/dbraw/zinc/36/56/67/183365667.db2.gz XKSXVRNXLAKBEK-NSHDSACASA-N 1 0 303.811 2.015 10 0 DEAERO C[C@H]([NH3+])Cc1ccc(OCC(=O)NCC(F)(F)F)c(Cl)c1 ZINC000043491667 183366784 /nfs/dbraw/zinc/36/67/84/183366784.db2.gz DFKAFIDLFYIJSL-QMMMGPOBSA-N 1 0 324.730 2.287 10 0 DEAERO C[NH2+][C@@H](CN(C)CC(F)(F)F)c1cc(OC)ccc1OC ZINC000043900627 183389427 /nfs/dbraw/zinc/38/94/27/183389427.db2.gz IPUSGJOUCOMIKY-LBPRGKRZSA-N 1 0 306.328 2.458 10 0 DEAERO CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000044594555 183426475 /nfs/dbraw/zinc/42/64/75/183426475.db2.gz ONSYLFIXXSYOHC-HOCLYGCPSA-N 1 0 310.463 2.435 10 0 DEAERO O=S(=O)(CCC1CC[NH2+]CC1)N1CCC[C@@H]1C1CCCC1 ZINC000045089473 183480925 /nfs/dbraw/zinc/48/09/25/183480925.db2.gz GIPITDVPIXMHRQ-MRXNPFEDSA-N 1 0 314.495 2.361 10 0 DEAERO CO[C@H]1C[C@@H](CN(C)Cc2cc3ccccc3[nH]c2=O)[N@H+](C)C1 ZINC000284574525 218084673 /nfs/dbraw/zinc/08/46/73/218084673.db2.gz ICOBLKVUZHSOCB-HOTGVXAUSA-N 1 0 315.417 2.091 10 0 DEAERO CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+](C)C(C)C ZINC000104882763 194049830 /nfs/dbraw/zinc/04/98/30/194049830.db2.gz RVHKYVACIDAHGM-CYBMUJFWSA-N 1 0 315.458 2.136 10 0 DEAERO c1[nH]nc2cccc(-c3nc([C@H]4C[N@@H+]5CCC[C@H]5CO4)no3)c12 ZINC000273924020 211179367 /nfs/dbraw/zinc/17/93/67/211179367.db2.gz IGBFJYZOWXGOHV-IINYFYTJSA-N 1 0 311.345 2.149 10 0 DEAERO Cc1cccnc1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000105288776 194094509 /nfs/dbraw/zinc/09/45/09/194094509.db2.gz JVQKJEIODPXCJT-UHFFFAOYSA-N 1 0 302.422 2.160 10 0 DEAERO COc1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1F ZINC000105798092 194130549 /nfs/dbraw/zinc/13/05/49/194130549.db2.gz PYRYEBCFPUKLLS-UHFFFAOYSA-N 1 0 316.380 2.337 10 0 DEAERO CC[NH+](CC)CCCNC(=O)Cc1ccc(OC)cc1OC ZINC000047340192 183588036 /nfs/dbraw/zinc/58/80/36/183588036.db2.gz BFRGZPFAZRZJLW-UHFFFAOYSA-N 1 0 308.422 2.094 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000105860108 194148542 /nfs/dbraw/zinc/14/85/42/194148542.db2.gz DUXDQVLVGZNOHQ-JKSUJKDBSA-N 1 0 304.438 2.229 10 0 DEAERO Cc1cccc(OCC[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105882784 194156362 /nfs/dbraw/zinc/15/63/62/194156362.db2.gz YIEWOZZDQJBZGT-INIZCTEOSA-N 1 0 300.406 2.378 10 0 DEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@H](O)c3ccccc3)C2)n1 ZINC000105885079 194157456 /nfs/dbraw/zinc/15/74/56/194157456.db2.gz XZHWRJYVZGSIBB-WMZOPIPTSA-N 1 0 314.433 2.341 10 0 DEAERO CCCOc1cccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000106379765 194204049 /nfs/dbraw/zinc/20/40/49/194204049.db2.gz BZOLZYOOKSDPOA-GOSISDBHSA-N 1 0 304.434 2.428 10 0 DEAERO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2=O)s1 ZINC000106496908 194220222 /nfs/dbraw/zinc/22/02/22/194220222.db2.gz YHJLCJWNIOKPIW-CQSZACIVSA-N 1 0 300.383 2.478 10 0 DEAERO CC1CCC(N(C)S(=O)(=O)CCC2CC[NH2+]CC2)CC1 ZINC000048970922 183700329 /nfs/dbraw/zinc/70/03/29/183700329.db2.gz BSRXUKWODIGLFX-UHFFFAOYSA-N 1 0 302.484 2.216 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)c1ccncc1OC ZINC000189954538 284806572 /nfs/dbraw/zinc/80/65/72/284806572.db2.gz BZDSEEYNKXOWMS-CHWSQXEVSA-N 1 0 308.426 2.181 10 0 DEAERO O=S(=O)(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000049640681 183749958 /nfs/dbraw/zinc/74/99/58/183749958.db2.gz GMYJBTQOEDBQRE-SECBINFHSA-N 1 0 309.218 2.487 10 0 DEAERO Cc1ccc(NS(=O)(=O)C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000049632385 183749982 /nfs/dbraw/zinc/74/99/82/183749982.db2.gz LNUFGMMTSHNXIM-LLVKDONJSA-N 1 0 302.827 2.390 10 0 DEAERO CO[C@H]1C[C@@H](CN(C)C(=O)c2c(C)[nH]c3ccccc32)[N@H+](C)C1 ZINC000285283488 218365832 /nfs/dbraw/zinc/36/58/32/218365832.db2.gz QSYZRMFGQXJKPR-KBPBESRZSA-N 1 0 315.417 2.267 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2)cc1 ZINC000049966094 183765560 /nfs/dbraw/zinc/76/55/60/183765560.db2.gz BPEKAQJRNKXAFJ-UHFFFAOYSA-N 1 0 308.378 2.370 10 0 DEAERO CCN(c1ccc(F)cc1)S(=O)(=O)CCC[NH2+]C(C)C ZINC000050013806 183767349 /nfs/dbraw/zinc/76/73/49/183767349.db2.gz YKSGQJYFSJDKTK-UHFFFAOYSA-N 1 0 302.415 2.370 10 0 DEAERO Cn1nccc1C1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000109326990 194257927 /nfs/dbraw/zinc/25/79/27/194257927.db2.gz YDOGKBWSIPPFOT-GOSISDBHSA-N 1 0 324.428 2.405 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N1CC[C@H](c2ccccc2)C1 ZINC000050601261 183790242 /nfs/dbraw/zinc/79/02/42/183790242.db2.gz MFEVCOBSGQUFKZ-INIZCTEOSA-N 1 0 310.463 2.194 10 0 DEAERO c1nc2cnccn2c1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000553581105 291746309 /nfs/dbraw/zinc/74/63/09/291746309.db2.gz RWNPQXXHBZAXFK-AWEZNQCLSA-N 1 0 310.357 2.049 10 0 DEAERO Cc1ccc(-n2nnnc2C[NH2+]CC(C)C)cc1Br ZINC000109437350 194263514 /nfs/dbraw/zinc/26/35/14/194263514.db2.gz ICITXUVCOKVOKE-UHFFFAOYSA-N 1 0 324.226 2.479 10 0 DEAERO CCC[C@H](C(N)=S)[NH+]1CCN(CCOCCC(C)C)CC1 ZINC000109469959 194267440 /nfs/dbraw/zinc/26/74/40/194267440.db2.gz CUEPYJSXTXOXGQ-OAHLLOKOSA-N 1 0 315.527 2.122 10 0 DEAERO C[NH2+]CCc1noc(-c2ccc(Br)c(F)c2)n1 ZINC000051850951 183838488 /nfs/dbraw/zinc/83/84/88/183838488.db2.gz CWSWCKVEHBOQGV-UHFFFAOYSA-N 1 0 300.131 2.400 10 0 DEAERO O=S(=O)(c1ccc(O[C@@H]2CCC[NH2+]C2)cc1)C(F)(F)F ZINC000051872777 183839847 /nfs/dbraw/zinc/83/98/47/183839847.db2.gz RHBJKOYGSQBVNS-SNVBAGLBSA-N 1 0 309.309 2.111 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N[C@@H]1CCCc2ccccc21 ZINC000051633318 183832274 /nfs/dbraw/zinc/83/22/74/183832274.db2.gz IBTXBFRRWQZHST-MRXNPFEDSA-N 1 0 310.463 2.372 10 0 DEAERO CCC[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1ccc(OC)cc1 ZINC000052976080 183882358 /nfs/dbraw/zinc/88/23/58/183882358.db2.gz LFWYULLPXVYSCP-HNNXBMFYSA-N 1 0 313.463 2.288 10 0 DEAERO C[NH+](C)[C@H]1CCN(c2ccc(C(F)(F)F)cc2C(N)=S)C1 ZINC000110278266 194319253 /nfs/dbraw/zinc/31/92/53/194319253.db2.gz FXHQIVYBULWLBQ-JTQLQIEISA-N 1 0 317.380 2.480 10 0 DEAERO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000110648105 194346260 /nfs/dbraw/zinc/34/62/60/194346260.db2.gz DVZLDIWCTVOKJI-VIFPVBQESA-N 1 0 320.817 2.227 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCNC(=O)C1(C)C ZINC000110653915 194347410 /nfs/dbraw/zinc/34/74/10/194347410.db2.gz APOAYFQFOOCHMP-ZIAGYGMSSA-N 1 0 309.841 2.329 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCNC(=O)[C@@H]1CC ZINC000110677361 194348974 /nfs/dbraw/zinc/34/89/74/194348974.db2.gz WCRMPNSZTHHEHH-GBIKHYSHSA-N 1 0 315.870 2.390 10 0 DEAERO O=S(=O)(c1ccccc1NCC[NH2+]C1CC1)C(F)(F)F ZINC000054267847 183932571 /nfs/dbraw/zinc/93/25/71/183932571.db2.gz LUFKPCWHQKXVDC-UHFFFAOYSA-N 1 0 308.325 2.144 10 0 DEAERO CCn1cc(Br)cc1C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110927317 194369806 /nfs/dbraw/zinc/36/98/06/194369806.db2.gz PBMAGVLQORYXAD-LLVKDONJSA-N 1 0 314.227 2.095 10 0 DEAERO CCCc1nc(N(CCCOC)CCOC)sc1C[NH3+] ZINC000055000405 183957131 /nfs/dbraw/zinc/95/71/31/183957131.db2.gz GUCQTNURWLQEOC-UHFFFAOYSA-N 1 0 301.456 2.044 10 0 DEAERO O[C@@H](C[NH2+]C1CC1)c1cc(Br)c2c(c1)OCCO2 ZINC000055029275 183958130 /nfs/dbraw/zinc/95/81/30/183958130.db2.gz ZBBYBJHYZCXGFJ-NSHDSACASA-N 1 0 314.179 2.006 10 0 DEAERO CCOCCN(CC)c1nc(CC)c(C[NH2+]CCOC)s1 ZINC000111124652 194393348 /nfs/dbraw/zinc/39/33/48/194393348.db2.gz JFNXBSSXYKDTQV-UHFFFAOYSA-N 1 0 315.483 2.304 10 0 DEAERO Cc1cc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)no1 ZINC000056347303 184011145 /nfs/dbraw/zinc/01/11/45/184011145.db2.gz JHFQDEQRDMJBLY-CQSZACIVSA-N 1 0 302.378 2.277 10 0 DEAERO Cn1ncc(Br)c1[C@H](O)C1([NH+](C)C)CCCC1 ZINC000157660640 197205301 /nfs/dbraw/zinc/20/53/01/197205301.db2.gz GYGCXSKDAFDBFS-NSHDSACASA-N 1 0 302.216 2.090 10 0 DEAERO CC[NH+](CC)CCOc1ccc(CNC(=O)CSC)cc1 ZINC000058886429 184130727 /nfs/dbraw/zinc/13/07/27/184130727.db2.gz NDMXNKWBNNUFDD-UHFFFAOYSA-N 1 0 310.463 2.386 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000058562017 184122910 /nfs/dbraw/zinc/12/29/10/184122910.db2.gz BPAAUJKEBKVDPW-ZDUSSCGKSA-N 1 0 314.426 2.287 10 0 DEAERO Cc1cccc(C)c1OC[C@H](O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000061041184 184160853 /nfs/dbraw/zinc/16/08/53/184160853.db2.gz NCDMKDYAWVIQMF-GOSISDBHSA-N 1 0 318.461 2.213 10 0 DEAERO Cc1cc(NS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)ccc1F ZINC000061120361 184162467 /nfs/dbraw/zinc/16/24/67/184162467.db2.gz NPSWHCKXUSLTTN-LBPRGKRZSA-N 1 0 300.399 2.408 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1ccc(Br)s1 ZINC000061266223 184167429 /nfs/dbraw/zinc/16/74/29/184167429.db2.gz ALAKWPWJZWSTGK-MRVPVSSYSA-N 1 0 305.241 2.372 10 0 DEAERO CC(C)Oc1nc(Cl)nc(NCC(C)(C)C[NH+](C)C)n1 ZINC000061536346 184172677 /nfs/dbraw/zinc/17/26/77/184172677.db2.gz IKVONIHWZQQQQD-UHFFFAOYSA-N 1 0 301.822 2.312 10 0 DEAERO CCN(CC)c1nc(Cl)nc(NCC(C)(C)[NH+](C)C)n1 ZINC000061540625 184173350 /nfs/dbraw/zinc/17/33/50/184173350.db2.gz HTXMQMUSEOKVHL-UHFFFAOYSA-N 1 0 300.838 2.123 10 0 DEAERO [NH3+]C[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccc(Cl)s1 ZINC000061594561 184175961 /nfs/dbraw/zinc/17/59/61/184175961.db2.gz HXZQASFKIIGSQX-QMMMGPOBSA-N 1 0 316.839 2.413 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1cccc(C)c1 ZINC000061594346 184176070 /nfs/dbraw/zinc/17/60/70/184176070.db2.gz YBUSJPSJVPYBFE-QWHCGFSZSA-N 1 0 306.435 2.470 10 0 DEAERO Cc1cccc(O[C@@H](C)C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061605619 184176973 /nfs/dbraw/zinc/17/69/73/184176973.db2.gz WVAIGHARRTUARD-HNNXBMFYSA-N 1 0 302.418 2.459 10 0 DEAERO CC[NH2+]Cc1cc(Cl)c(O[C@H](CC)C(N)=O)c(OC)c1 ZINC000061675677 184181702 /nfs/dbraw/zinc/18/17/02/184181702.db2.gz RUKICYIDDSHCLP-LLVKDONJSA-N 1 0 300.786 2.101 10 0 DEAERO CC[C@@H](Oc1ccc(Br)cc1[C@@H](C)[NH3+])C(N)=O ZINC000061676069 184181898 /nfs/dbraw/zinc/18/18/98/184181898.db2.gz QQELFQFMCWRCSC-GMSGAONNSA-N 1 0 301.184 2.112 10 0 DEAERO COc1ccccc1CCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061795843 184187780 /nfs/dbraw/zinc/18/77/80/184187780.db2.gz WDMMPTXLKLKTNL-UHFFFAOYSA-N 1 0 317.433 2.117 10 0 DEAERO COc1cc(Cl)c([C@H]([NH3+])C[C@@H](C)CC(N)=O)cc1OC ZINC000061830334 184188865 /nfs/dbraw/zinc/18/88/65/184188865.db2.gz JHZKEFQVHJHABF-LDYMZIIASA-N 1 0 300.786 2.259 10 0 DEAERO COc1cc(Cl)c([C@@H]([NH3+])C[C@@H](C)CC(N)=O)cc1OC ZINC000061830332 184188946 /nfs/dbraw/zinc/18/89/46/184188946.db2.gz JHZKEFQVHJHABF-KCJUWKMLSA-N 1 0 300.786 2.259 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cc3c(c(Cl)c2)OCO3)CCCO1 ZINC000061915074 184195300 /nfs/dbraw/zinc/19/53/00/184195300.db2.gz DZKQQCDWSFPJDW-MFKMUULPSA-N 1 0 312.797 2.179 10 0 DEAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061941065 184197408 /nfs/dbraw/zinc/19/74/08/184197408.db2.gz BGKWCNRTJTUAFW-MGPQQGTHSA-N 1 0 307.404 2.333 10 0 DEAERO COCCC[N@H+]1[C@H](C)CN(C(=O)NCc2ccccc2)C[C@@H]1C ZINC000062090866 184205632 /nfs/dbraw/zinc/20/56/32/184205632.db2.gz YPWPYBACBYNOCE-IYBDPMFKSA-N 1 0 319.449 2.327 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCNC(=O)CC1 ZINC000062099448 184206011 /nfs/dbraw/zinc/20/60/11/184206011.db2.gz ZFHUNXLGFLCSIL-NOZJJQNGSA-N 1 0 301.843 2.002 10 0 DEAERO O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000062116138 184206550 /nfs/dbraw/zinc/20/65/50/184206550.db2.gz NPKBOLXWRRDNED-SNVBAGLBSA-N 1 0 307.781 2.015 10 0 DEAERO COCCN1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000062210260 184220623 /nfs/dbraw/zinc/22/06/23/184220623.db2.gz RIBLIBKEOYYMCA-AAEUAGOBSA-N 1 0 303.189 2.241 10 0 DEAERO CC[C@]1(C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)CC[NH2+]C1 ZINC000062892469 184258369 /nfs/dbraw/zinc/25/83/69/184258369.db2.gz GYZFYAJCYRUHCF-HNNXBMFYSA-N 1 0 307.781 2.163 10 0 DEAERO CCC[NH2+][C@@H](CCSc1nc2cc(C)ccc2[nH]1)C(N)=O ZINC000062604435 184244691 /nfs/dbraw/zinc/24/46/91/184244691.db2.gz QKZLAOKGZXOFBG-LBPRGKRZSA-N 1 0 306.435 2.207 10 0 DEAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCOCC1 ZINC000062649469 184246434 /nfs/dbraw/zinc/24/64/34/184246434.db2.gz ICIYIMLEBLRSRC-KRWDZBQOSA-N 1 0 317.433 2.083 10 0 DEAERO CC(C)[NH2+][C@@](C)(CCCOc1cccc(F)c1F)C(N)=O ZINC000062653598 184246789 /nfs/dbraw/zinc/24/67/89/184246789.db2.gz UIKUWRQDKQUARA-HNNXBMFYSA-N 1 0 300.349 2.366 10 0 DEAERO C[NH2+]Cc1ccc(O[C@H](C)C(=O)N(C)C)c(Br)c1 ZINC000062700889 184247559 /nfs/dbraw/zinc/24/75/59/184247559.db2.gz PHKYDPSGKBHRLN-SECBINFHSA-N 1 0 315.211 2.024 10 0 DEAERO CCNC(=O)CCOc1ccc(C[NH2+]C)cc1Br ZINC000062700801 184247574 /nfs/dbraw/zinc/24/75/74/184247574.db2.gz HXHTXYDQAADEAV-UHFFFAOYSA-N 1 0 315.211 2.074 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)c1cc(Br)c[nH]1 ZINC000063211099 184278357 /nfs/dbraw/zinc/27/83/57/184278357.db2.gz MBDKKFJFUKMSEB-VHSXEESVSA-N 1 0 300.200 2.167 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccccc1Cl ZINC000063213124 184278444 /nfs/dbraw/zinc/27/84/44/184278444.db2.gz PAMLFSCCPWFCTP-NWDGAFQWSA-N 1 0 302.827 2.278 10 0 DEAERO C[C@H]1[NH2+]CCCN(Cc2ccc(F)c(Br)c2)C1=O ZINC000063215233 184278798 /nfs/dbraw/zinc/27/87/98/184278798.db2.gz HLXLKVIDCXCNKD-SECBINFHSA-N 1 0 315.186 2.299 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063213894 184279079 /nfs/dbraw/zinc/27/90/79/184279079.db2.gz MTMGCTQLHBQYMX-STQMWFEESA-N 1 0 300.399 2.072 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000063213790 184279088 /nfs/dbraw/zinc/27/90/88/184279088.db2.gz SITMCBBSDCISDH-RYUDHWBXSA-N 1 0 320.817 2.417 10 0 DEAERO C[C@@]([NH3+])(CCCS(C)(=O)=O)c1ccc(Br)cc1 ZINC000063016352 184267009 /nfs/dbraw/zinc/26/70/09/184267009.db2.gz APCOFIUHQGZUSQ-GFCCVEGCSA-N 1 0 320.252 2.448 10 0 DEAERO Cc1cccc(S(=O)(=O)N2CCC[C@H](C[NH2+]C(C)C)C2)c1 ZINC000063138734 184273387 /nfs/dbraw/zinc/27/33/87/184273387.db2.gz RLGZUGDSRAWSKY-OAHLLOKOSA-N 1 0 310.463 2.394 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(Br)cn1 ZINC000063167121 184275611 /nfs/dbraw/zinc/27/56/11/184275611.db2.gz RDGJOBTUNNPKNE-LLVKDONJSA-N 1 0 312.211 2.058 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000063175996 184276629 /nfs/dbraw/zinc/27/66/29/184276629.db2.gz OQSCRXDDVQMHTA-NTSWFWBYSA-N 1 0 315.247 2.213 10 0 DEAERO CC(=O)c1cccc(S(=O)(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000063191145 184277117 /nfs/dbraw/zinc/27/71/17/184277117.db2.gz LJEQDAJQACGQJU-UHFFFAOYSA-N 1 0 304.371 2.149 10 0 DEAERO [NH3+][C@H]1CC(=O)N(c2ccccc2OCCOc2ccccc2)C1 ZINC000066055711 184385947 /nfs/dbraw/zinc/38/59/47/184385947.db2.gz CKIVXBPAPCDVCJ-AWEZNQCLSA-N 1 0 312.369 2.208 10 0 DEAERO C[NH+](C)CCNC(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000065755822 184378907 /nfs/dbraw/zinc/37/89/07/184378907.db2.gz SFZIRTPAUGAWLB-UHFFFAOYSA-N 1 0 311.385 2.230 10 0 DEAERO CCC(CC)C(=O)Nc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000065755780 184379371 /nfs/dbraw/zinc/37/93/71/184379371.db2.gz OQIBLWULWFGLQO-UHFFFAOYSA-N 1 0 305.422 2.353 10 0 DEAERO COCCOCCCC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000159132875 197330055 /nfs/dbraw/zinc/33/00/55/197330055.db2.gz HLJYHHLJJXFDHB-OAHLLOKOSA-N 1 0 303.349 2.031 10 0 DEAERO O=C(Nc1ccccc1OC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000066152651 184393490 /nfs/dbraw/zinc/39/34/90/184393490.db2.gz BIIKZSQPGFCWQR-KGLIPLIRSA-N 1 0 304.390 2.183 10 0 DEAERO [NH3+]C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)C1CC1 ZINC000159279689 197341612 /nfs/dbraw/zinc/34/16/12/197341612.db2.gz FFIJRDKHVJMSSF-IHRRRGAJSA-N 1 0 323.234 2.406 10 0 DEAERO O=C(NCc1cscn1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175698198 207362287 /nfs/dbraw/zinc/36/22/87/207362287.db2.gz NHUBGNAZNGMCSM-UHFFFAOYSA-N 1 0 308.451 2.349 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)CCc1cccc2c1OCO2 ZINC000184007926 207364477 /nfs/dbraw/zinc/36/44/77/207364477.db2.gz FTIPBLAZOBSMLG-CYBMUJFWSA-N 1 0 306.406 2.194 10 0 DEAERO CNc1snc(C)c1C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000185427151 207365238 /nfs/dbraw/zinc/36/52/38/207365238.db2.gz PEPBJOZSFBRHKS-NSHDSACASA-N 1 0 310.467 2.488 10 0 DEAERO CC[NH2+][C@H](CC)c1cccc(S(=O)(=O)NCCSC)c1 ZINC000069456527 184516348 /nfs/dbraw/zinc/51/63/48/184516348.db2.gz WBALIRNJMCDJTK-CQSZACIVSA-N 1 0 316.492 2.389 10 0 DEAERO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N(C)CCC[NH+](C)C ZINC000537215155 284987229 /nfs/dbraw/zinc/98/72/29/284987229.db2.gz RFGBLXWCXHDKHF-CQSZACIVSA-N 1 0 304.434 2.353 10 0 DEAERO CCC[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000119994770 195076072 /nfs/dbraw/zinc/07/60/72/195076072.db2.gz KOAKQNQNFUDYDP-DLBZAZTESA-N 1 0 304.434 2.187 10 0 DEAERO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n2ncnc2n1 ZINC000270269175 208334903 /nfs/dbraw/zinc/33/49/03/208334903.db2.gz JZOWANFTBBMXOU-GOEBONIOSA-N 1 0 308.389 2.290 10 0 DEAERO C[C@]1([NH2+]C[C@@H](O)COC[C@@H]2CCCO2)CCCc2ccccc21 ZINC000539807376 285093120 /nfs/dbraw/zinc/09/31/20/285093120.db2.gz UUGSCWSILHDPDH-AOIWGVFYSA-N 1 0 319.445 2.384 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000159270085 197341436 /nfs/dbraw/zinc/34/14/36/197341436.db2.gz MYMWGQFIXNVOET-JTQLQIEISA-N 1 0 306.284 2.120 10 0 DEAERO COC(=O)c1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000159235253 197338280 /nfs/dbraw/zinc/33/82/80/197338280.db2.gz DHDTXMLMBLOCAC-IUODEOHRSA-N 1 0 317.389 2.174 10 0 DEAERO CC[C@H]1CN(C2CCS(=O)CC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000159202407 197335497 /nfs/dbraw/zinc/33/54/97/197335497.db2.gz JTUCHYWWWQVWOB-CLIJALBYSA-N 1 0 306.475 2.323 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000159173088 197333189 /nfs/dbraw/zinc/33/31/89/197333189.db2.gz ZUEHSMOTPZJDLN-STQMWFEESA-N 1 0 312.410 2.233 10 0 DEAERO COCCOCCCC[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000159122317 197329561 /nfs/dbraw/zinc/32/95/61/197329561.db2.gz QAEIMUFKLZIXQU-OAHLLOKOSA-N 1 0 317.495 2.464 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NC[C@@H](C)C(C)C)cc(C)c1F ZINC000159121488 197329005 /nfs/dbraw/zinc/32/90/05/197329005.db2.gz AOQHFVIICDMBEJ-GFCCVEGCSA-N 1 0 316.442 2.424 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)[C@H](C)C(C)C)cc(C[NH3+])c1F ZINC000159071930 197324482 /nfs/dbraw/zinc/32/44/82/197324482.db2.gz BPZIKCXTJXUMCB-LLVKDONJSA-N 1 0 302.415 2.258 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cc(C)c1F ZINC000159051882 197322572 /nfs/dbraw/zinc/32/25/72/197322572.db2.gz GTQJUXFQKUSNSG-LLVKDONJSA-N 1 0 314.426 2.274 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCCC[C@H]2C)cc(C[NH3+])c1F ZINC000159050666 197321693 /nfs/dbraw/zinc/32/16/93/197321693.db2.gz BOUSBXYFFXKBRJ-LLVKDONJSA-N 1 0 300.399 2.156 10 0 DEAERO CCC[NH2+][C@H](C[S@@](=O)c1ccccc1OC)[C@@H]1CCOC1 ZINC000158927948 197312325 /nfs/dbraw/zinc/31/23/25/197312325.db2.gz HECISOXVDGWJHK-LKBUQDJMSA-N 1 0 311.447 2.208 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000540518084 285119874 /nfs/dbraw/zinc/11/98/74/285119874.db2.gz SPMBELPUKFZPJL-UHFFFAOYSA-N 1 0 307.413 2.450 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000540518518 285119942 /nfs/dbraw/zinc/11/99/42/285119942.db2.gz YGCNWWLIBHYRNV-UHFFFAOYSA-N 1 0 305.353 2.103 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1cc(F)ccc1F ZINC000158994345 197317195 /nfs/dbraw/zinc/31/71/95/197317195.db2.gz CSEVTYVLVQPCOI-MFKMUULPSA-N 1 0 318.389 2.021 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ncsc1Br ZINC000288670182 220337247 /nfs/dbraw/zinc/33/72/47/220337247.db2.gz PNPYPFSHSNQQRY-MRVPVSSYSA-N 1 0 318.240 2.120 10 0 DEAERO C[C@@H]1OCC[C@@H]1N(C)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000158613701 197288052 /nfs/dbraw/zinc/28/80/52/197288052.db2.gz PMAXPDKCEJRWTN-XDTLVQLUSA-N 1 0 312.797 2.178 10 0 DEAERO CCN(Cc1cccs1)[C@H](C[NH3+])c1c(C)nn(C)c1OC ZINC000158383075 197267608 /nfs/dbraw/zinc/26/76/08/197267608.db2.gz IEZUDULYDVBXSC-CYBMUJFWSA-N 1 0 308.451 2.321 10 0 DEAERO C[C@@H]1OCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1N ZINC000158178761 197250213 /nfs/dbraw/zinc/25/02/13/197250213.db2.gz UDFIYVUDGMLDIU-HZMBPMFUSA-N 1 0 311.813 2.360 10 0 DEAERO C[C@@H]([NH2+]C1CCS(=O)CC1)c1ccc2c(c1)OCCCO2 ZINC000158011271 197235251 /nfs/dbraw/zinc/23/52/51/197235251.db2.gz PRXYCAIESYDBOM-AVHPMIGVSA-N 1 0 309.431 2.410 10 0 DEAERO COc1cc(C[NH2+]C2CCS(=O)CC2)cc(Cl)c1OC ZINC000157970795 197232133 /nfs/dbraw/zinc/23/21/33/197232133.db2.gz FORCOPHKHXBWKV-UHFFFAOYSA-N 1 0 317.838 2.358 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2O[C@H]2CCOC2)C1 ZINC000120300619 195138658 /nfs/dbraw/zinc/13/86/58/195138658.db2.gz NUPYAMOTQOQFTL-KBPBESRZSA-N 1 0 319.405 2.022 10 0 DEAERO C[C@@](F)(Cc1ccc(Br)cn1)C[C@@H]1COCC[NH2+]1 ZINC000157601527 197201081 /nfs/dbraw/zinc/20/10/81/197201081.db2.gz JNTLVLWCHUDFRX-CHWSQXEVSA-N 1 0 317.202 2.493 10 0 DEAERO CCN[C@@](C)(CCCC[N@H+](C)CCOCC)C(=O)OCC ZINC000157467889 197190040 /nfs/dbraw/zinc/19/00/40/197190040.db2.gz AMOGRZWPEGXDAB-INIZCTEOSA-N 1 0 302.459 2.056 10 0 DEAERO O=C(NCC[C@@H]1CCC[NH2+]1)c1cc(F)ccc1Br ZINC000157382268 197183916 /nfs/dbraw/zinc/18/39/16/197183916.db2.gz LQMFQELGDIRDAE-JTQLQIEISA-N 1 0 315.186 2.460 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC(=O)OC)c2cccs2)[C@@H]1OC ZINC000157089654 197161080 /nfs/dbraw/zinc/16/10/80/197161080.db2.gz CXFLRSPDWSWZQH-OHTBPHCPSA-N 1 0 313.419 2.134 10 0 DEAERO CCc1csc([C@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC000157047285 197157945 /nfs/dbraw/zinc/15/79/45/197157945.db2.gz RKJYGEMUSWOHFJ-LBPRGKRZSA-N 1 0 321.446 2.034 10 0 DEAERO [NH3+]Cc1ccccc1CC(=O)Nc1ccc(Br)cn1 ZINC000157031975 197156499 /nfs/dbraw/zinc/15/64/99/197156499.db2.gz YYTGWZDSUCDUBG-UHFFFAOYSA-N 1 0 320.190 2.484 10 0 DEAERO CCNc1nnc(CN2CCC([NH+]3CCCCC3)CC2)s1 ZINC000157028704 197156052 /nfs/dbraw/zinc/15/60/52/197156052.db2.gz WNVGZHOUMSKPTJ-UHFFFAOYSA-N 1 0 309.483 2.420 10 0 DEAERO CCO[C@H]1C[C@@]([NH3+])(C(=O)N(CC(F)(F)F)C(C)C)C1(C)C ZINC000156953033 197152314 /nfs/dbraw/zinc/15/23/14/197152314.db2.gz VHQOOYWREBVNMS-GXFFZTMASA-N 1 0 310.360 2.318 10 0 DEAERO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(C)nc1 ZINC000156434592 197113663 /nfs/dbraw/zinc/11/36/63/197113663.db2.gz VXRQVEFFHBJPCQ-CABCVRRESA-N 1 0 321.421 2.114 10 0 DEAERO COc1ccccc1CCN(C)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000156332134 197105479 /nfs/dbraw/zinc/10/54/79/197105479.db2.gz SJPCXXHEPUXWMR-UHFFFAOYSA-N 1 0 324.424 2.192 10 0 DEAERO CCC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C1(C)CC1 ZINC000156264001 197099470 /nfs/dbraw/zinc/09/94/70/197099470.db2.gz MCRGPMTUYSIFCH-KGLIPLIRSA-N 1 0 302.484 2.216 10 0 DEAERO COC(=O)[C@@H](c1cccnc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000156154172 197090278 /nfs/dbraw/zinc/09/02/78/197090278.db2.gz OTDGWDAFPVKSOW-QGZVFWFLSA-N 1 0 317.433 2.104 10 0 DEAERO CN1c2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2CCC1=O ZINC000156064694 197084731 /nfs/dbraw/zinc/08/47/31/197084731.db2.gz PSDVSGMDBNXODK-QWHCGFSZSA-N 1 0 301.390 2.052 10 0 DEAERO C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[S@](=O)CC1CCCC1 ZINC000156066319 197084230 /nfs/dbraw/zinc/08/42/30/197084230.db2.gz FDJMQAWAZJDFBV-GTJPDFRWSA-N 1 0 308.447 2.411 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2cccc(F)c2Br)C1 ZINC000156015416 197081072 /nfs/dbraw/zinc/08/10/72/197081072.db2.gz IPPZWOSZJQBRND-RKDXNWHRSA-N 1 0 315.186 2.398 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(F)c1Br ZINC000156003782 197079761 /nfs/dbraw/zinc/07/97/61/197079761.db2.gz MAVSUSQDNRPOJP-LDYMZIIASA-N 1 0 315.186 2.445 10 0 DEAERO C[C@@H]1CCN(C(=O)c2cccc(F)c2Br)C[C@@H]1[NH3+] ZINC000155995223 197078874 /nfs/dbraw/zinc/07/88/74/197078874.db2.gz RBFDCAFWDPJDGF-KCJUWKMLSA-N 1 0 315.186 2.398 10 0 DEAERO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(F)c2Br)C1 ZINC000155988293 197078003 /nfs/dbraw/zinc/07/80/03/197078003.db2.gz FRYKCZQZUBGLIU-VIFPVBQESA-N 1 0 315.186 2.270 10 0 DEAERO O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000155636168 197074982 /nfs/dbraw/zinc/07/49/82/197074982.db2.gz JJHSVJJJHATQKZ-KANFNMMFSA-N 1 0 323.440 2.228 10 0 DEAERO C[C@@H]1CCC[C@]2(CSC(NC[C@@H]3CCCS3(=O)=O)=[NH+]2)C1 ZINC000155416655 197052832 /nfs/dbraw/zinc/05/28/32/197052832.db2.gz DGVPEWQYSCBBCN-MBNYWOFBSA-N 1 0 316.492 2.205 10 0 DEAERO CCC[NH+](CCC)CCCNC(=O)Nc1cnc(N(C)C)nc1 ZINC000155178076 197029519 /nfs/dbraw/zinc/02/95/19/197029519.db2.gz RXDKFQBJNKJUTL-UHFFFAOYSA-N 1 0 322.457 2.176 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)CCCSC(C)(C)C)CCO1 ZINC000155120324 197024094 /nfs/dbraw/zinc/02/40/94/197024094.db2.gz BCHPCPUTPMFJGH-CYBMUJFWSA-N 1 0 302.484 2.087 10 0 DEAERO Cc1cccc(NC[C@H]2CC[N@H+](CC[C@@H]3CCOC3=O)C2)n1 ZINC000120358314 195151353 /nfs/dbraw/zinc/15/13/53/195151353.db2.gz RTUAEUYUBRRFRT-HUUCEWRRSA-N 1 0 303.406 2.077 10 0 DEAERO c1nnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000294831997 224251123 /nfs/dbraw/zinc/25/11/23/224251123.db2.gz ARDONJOSGXSVMW-CQSZACIVSA-N 1 0 304.419 2.241 10 0 DEAERO CCn1cnnc1C1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000153846377 196914138 /nfs/dbraw/zinc/91/41/38/196914138.db2.gz JSSGYNJEGPIQIR-UHFFFAOYSA-N 1 0 305.470 2.209 10 0 DEAERO CCc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000120452107 195168674 /nfs/dbraw/zinc/16/86/74/195168674.db2.gz UBCMZBQFAKSPMN-CZUORRHYSA-N 1 0 317.433 2.129 10 0 DEAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(OC(F)F)cc1 ZINC000120535404 195185101 /nfs/dbraw/zinc/18/51/01/195185101.db2.gz ZKHIYHHASCJLQZ-JTQLQIEISA-N 1 0 313.348 2.482 10 0 DEAERO CC[C@@H]1CN(CC2=Cc3ccccc3OC2)CC[N@@H+]1C[C@@H](C)O ZINC000120726334 195225370 /nfs/dbraw/zinc/22/53/70/195225370.db2.gz DFJYOXLCMQDABV-CRAIPNDOSA-N 1 0 316.445 2.239 10 0 DEAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1Br ZINC000120838296 195248151 /nfs/dbraw/zinc/24/81/51/195248151.db2.gz LXAFUZLSAIKFML-GFCCVEGCSA-N 1 0 311.223 2.468 10 0 DEAERO Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1F ZINC000120786284 195237751 /nfs/dbraw/zinc/23/77/51/195237751.db2.gz UGMWBGUJTLVFEV-CHWSQXEVSA-N 1 0 321.396 2.014 10 0 DEAERO Cc1noc(CCC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)n1 ZINC000271601785 209048623 /nfs/dbraw/zinc/04/86/23/209048623.db2.gz AWLNJJBSWNUYNH-ZDUSSCGKSA-N 1 0 316.409 2.117 10 0 DEAERO C[C@@H](CC(=O)NC[C@H](O)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000151450533 196682166 /nfs/dbraw/zinc/68/21/66/196682166.db2.gz HPVLFSMNHXLVBN-LRDDRELGSA-N 1 0 308.397 2.001 10 0 DEAERO CC[C@H]1CN(Cc2ccc(NC(C)=O)cc2)CC[N@@H+]1CCOC ZINC000120935163 195267466 /nfs/dbraw/zinc/26/74/66/195267466.db2.gz ZFNJTMIWAKVMFE-SFHVURJKSA-N 1 0 319.449 2.188 10 0 DEAERO O=C(NCc1cccs1)[C@@H]1C[C@H]2CC[N@@H+](C3CCC3)C[C@@H]2O1 ZINC000247487814 257119366 /nfs/dbraw/zinc/11/93/66/257119366.db2.gz LFWVHVDRZOCGHM-KCXAZCMYSA-N 1 0 320.458 2.396 10 0 DEAERO Cc1cccc(CN2CC[N@@H+]3C[C@@H](OCC4CC4)C[C@@H]3C2)n1 ZINC000503720652 257206973 /nfs/dbraw/zinc/20/69/73/257206973.db2.gz UQEOYSQOQUWWGW-MSOLQXFVSA-N 1 0 301.434 2.075 10 0 DEAERO CC[C@@H]1CN(Cc2cnc3c(C)cccn23)CC[N@@H+]1CCOC ZINC000120950267 195269648 /nfs/dbraw/zinc/26/96/48/195269648.db2.gz VORGCJGCSSFQRS-MRXNPFEDSA-N 1 0 316.449 2.185 10 0 DEAERO COc1ccc2c(c1Br)CCN(CC[NH+](C)C)C2 ZINC000074450873 184986862 /nfs/dbraw/zinc/98/68/62/184986862.db2.gz LALOMDWQPLJAEQ-UHFFFAOYSA-N 1 0 313.239 2.377 10 0 DEAERO Cc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1C ZINC000121813768 195352754 /nfs/dbraw/zinc/35/27/54/195352754.db2.gz OEQGGPGWUBNWEY-HNNXBMFYSA-N 1 0 319.449 2.334 10 0 DEAERO Cc1ccc(F)cc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000121820917 195355913 /nfs/dbraw/zinc/35/59/13/195355913.db2.gz MEOWFCQXBUGFTC-AWEZNQCLSA-N 1 0 323.412 2.165 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC000121851219 195361375 /nfs/dbraw/zinc/36/13/75/195361375.db2.gz ONHAALAWHIEKSS-UHFFFAOYSA-N 1 0 303.406 2.340 10 0 DEAERO C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1-n1cccn1 ZINC000121611270 195315985 /nfs/dbraw/zinc/31/59/85/195315985.db2.gz DTERSSXRZOUIBN-AWEZNQCLSA-N 1 0 312.417 2.391 10 0 DEAERO Cc1ccc([C@H]2N[C@@H](C)C(=O)N2CC2CC[NH+](C)CC2)s1 ZINC000121981282 195385880 /nfs/dbraw/zinc/38/58/80/195385880.db2.gz RCBGJNIICKPJJM-WFASDCNBSA-N 1 0 307.463 2.217 10 0 DEAERO C[NH2+][C@H](Cc1cccc(F)c1Br)[C@@H]1COCCO1 ZINC000122563259 195468742 /nfs/dbraw/zinc/46/87/42/195468742.db2.gz CNZBFTKAASXOOQ-NEPJUHHUSA-N 1 0 318.186 2.134 10 0 DEAERO CCSCCCSc1nnnn1CC[NH2+]CC(C)C ZINC000123112564 195545398 /nfs/dbraw/zinc/54/53/98/195545398.db2.gz BRHCEZCIXBZCDT-UHFFFAOYSA-N 1 0 303.501 2.154 10 0 DEAERO CC(C)C[NH2+]Cc1nnnn1-c1c(F)cc(F)cc1Cl ZINC000124601961 195659054 /nfs/dbraw/zinc/65/90/54/195659054.db2.gz MLQOBFYQKFPVQZ-UHFFFAOYSA-N 1 0 301.728 2.340 10 0 DEAERO Cc1ccc([C@H]2NCC(=O)N2C[C@@H](C)C[NH+]2CCCC2)s1 ZINC000124805759 195682178 /nfs/dbraw/zinc/68/21/78/195682178.db2.gz SSRZLOUBLPCVOZ-LRDDRELGSA-N 1 0 307.463 2.219 10 0 DEAERO CCO[C@H](CC)[C@H]([NH3+])Cc1c(Br)c(CC)nn1C ZINC000125041701 195706655 /nfs/dbraw/zinc/70/66/55/195706655.db2.gz HPFZONQLSYRNTF-BXKDBHETSA-N 1 0 318.259 2.430 10 0 DEAERO CC[C@]1(C(=O)Cc2c(Br)c(C)nn2C)CCC[NH2+]1 ZINC000125438285 195749064 /nfs/dbraw/zinc/74/90/64/195749064.db2.gz IKRUFQYLIMFRRB-CYBMUJFWSA-N 1 0 314.227 2.135 10 0 DEAERO NC(=O)OCC[NH2+]Cc1ccc(Br)cc1Cl ZINC000125746811 195781478 /nfs/dbraw/zinc/78/14/78/195781478.db2.gz RWIHEJREUVDWGO-UHFFFAOYSA-N 1 0 307.575 2.287 10 0 DEAERO CCCn1cc(S(=O)(=O)NC[C@@H](C)C(C)(C)C)cc1C[NH3+] ZINC000126125683 195812955 /nfs/dbraw/zinc/81/29/55/195812955.db2.gz RMGVNYPPJHTCDV-GFCCVEGCSA-N 1 0 315.483 2.317 10 0 DEAERO CCOC[C@](C)(C[NH3+])N1CCN(c2ccccc2Cl)CC1 ZINC000127235738 195859330 /nfs/dbraw/zinc/85/93/30/195859330.db2.gz FTTFXOGBOGXXBS-INIZCTEOSA-N 1 0 311.857 2.216 10 0 DEAERO CCc1nc([C@H]2CN3CCN2CC3)sc1C[NH2+]CC(C)C ZINC000127617643 195893611 /nfs/dbraw/zinc/89/36/11/195893611.db2.gz DWIYAVCNBNMSNU-CQSZACIVSA-N 1 0 308.495 2.123 10 0 DEAERO Cc1cc(CCNC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)on1 ZINC000561581839 291964439 /nfs/dbraw/zinc/96/44/39/291964439.db2.gz YGTLUOTVAMBIDR-KCQAQPDRSA-N 1 0 322.453 2.191 10 0 DEAERO COc1cc(C)c(C[N@H+](C)C[C@H](O)COC(C)C)cc1OC ZINC000194893167 533568892 /nfs/dbraw/zinc/56/88/92/533568892.db2.gz DWFQWUWGOKRSIM-HNNXBMFYSA-N 1 0 311.422 2.230 10 0 DEAERO COC(=O)COc1ccccc1[C@@H](C)[NH2+]CC1(CCO)CC1 ZINC000188056982 533570804 /nfs/dbraw/zinc/57/08/04/533570804.db2.gz URKGJOQGDODOOV-CYBMUJFWSA-N 1 0 307.390 2.052 10 0 DEAERO Cn1cc(CC[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000340229579 131234666 /nfs/dbraw/zinc/23/46/66/131234666.db2.gz DNSGBEVBJDGGJB-XJKSGUPXSA-N 1 0 307.344 2.049 10 0 DEAERO CCN(CCC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1)S(C)(=O)=O ZINC000233466488 132554234 /nfs/dbraw/zinc/55/42/34/132554234.db2.gz SCDCMFMKSHKDRE-HIFRSBDPSA-N 1 0 302.484 2.240 10 0 DEAERO COc1ccc([C@@H](C)Cc2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263295428 132580714 /nfs/dbraw/zinc/58/07/14/132580714.db2.gz WEVIMTQTYOYURA-WFASDCNBSA-N 1 0 316.405 2.001 10 0 DEAERO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242734 542770235 /nfs/dbraw/zinc/77/02/35/542770235.db2.gz NYPJEEIYIPBFDI-GUYCJALGSA-N 1 0 322.453 2.330 10 0 DEAERO C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357607589 133087984 /nfs/dbraw/zinc/08/79/84/133087984.db2.gz KQOODYHSTGLSTC-ZDUSSCGKSA-N 1 0 315.421 2.094 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000357625540 133089482 /nfs/dbraw/zinc/08/94/82/133089482.db2.gz WUHISXSOOGPMNL-UHFFFAOYSA-N 1 0 315.421 2.235 10 0 DEAERO CCOCCOC[C@H](O)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000357862706 133105650 /nfs/dbraw/zinc/10/56/50/133105650.db2.gz YFPUZRNDRYUJEF-FGTMMUONSA-N 1 0 307.434 2.326 10 0 DEAERO O=C(CC[NH+]1C[C@@H]2CCCC[C@H]2C1)NCC(=O)c1ccccc1 ZINC000358042796 133117284 /nfs/dbraw/zinc/11/72/84/133117284.db2.gz CTJKVSBRRJPIDD-IRXDYDNUSA-N 1 0 314.429 2.498 10 0 DEAERO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)s1 ZINC000358179129 133125929 /nfs/dbraw/zinc/12/59/29/133125929.db2.gz RELVIZLARVGDJI-SMDDNHRTSA-N 1 0 323.462 2.190 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCCOC2CCCCC2)CC1 ZINC000358187890 133126968 /nfs/dbraw/zinc/12/69/68/133126968.db2.gz KLCNGSLARBFJGY-UHFFFAOYSA-N 1 0 309.454 2.287 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)C1C(C)(C)C1(C)C ZINC000358195817 133127501 /nfs/dbraw/zinc/12/75/01/133127501.db2.gz VUJFCJQIXOKYAK-JSGCOSHPSA-N 1 0 308.466 2.427 10 0 DEAERO C[C@@H](C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)[NH+]1CCCCCC1 ZINC000358228832 133130072 /nfs/dbraw/zinc/13/00/72/133130072.db2.gz SZPPYKBPZFRRNA-YJBOKZPZSA-N 1 0 324.465 2.047 10 0 DEAERO CCC(=O)N[C@H]1CCC[N@H+](CCc2ccccc2C(=O)OC)C1 ZINC000360063384 133159796 /nfs/dbraw/zinc/15/97/96/133159796.db2.gz LNXCKUSCVGDFSZ-HNNXBMFYSA-N 1 0 318.417 2.006 10 0 DEAERO CCC[C@H](C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC000360692454 133195017 /nfs/dbraw/zinc/19/50/17/133195017.db2.gz PQJZSFRZMVXYIS-ZIAGYGMSSA-N 1 0 320.437 2.383 10 0 DEAERO COC[C@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000362079894 133209606 /nfs/dbraw/zinc/20/96/06/133209606.db2.gz VWLUZWQUKWHIHT-CJNGLKHVSA-N 1 0 323.412 2.106 10 0 DEAERO COC(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000368433944 133272993 /nfs/dbraw/zinc/27/29/93/133272993.db2.gz NYGASMXEHJRNDI-BRWVUGGUSA-N 1 0 316.445 2.438 10 0 DEAERO COC(C)(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368433946 133273112 /nfs/dbraw/zinc/27/31/12/133273112.db2.gz NYGASMXEHJRNDI-GVDBMIGSSA-N 1 0 316.445 2.438 10 0 DEAERO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)COC2CCOCC2)o1 ZINC000368549489 133277715 /nfs/dbraw/zinc/27/77/15/133277715.db2.gz QCRYAFWYURYLBX-HOCLYGCPSA-N 1 0 309.406 2.281 10 0 DEAERO Cc1cc(CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)on1 ZINC000376480376 133296212 /nfs/dbraw/zinc/29/62/12/133296212.db2.gz OQSBVWSRGXCBKQ-KRWDZBQOSA-N 1 0 313.401 2.306 10 0 DEAERO Cc1ccnc(C2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)n1 ZINC000372721062 133363434 /nfs/dbraw/zinc/36/34/34/133363434.db2.gz WZBQTNHAOSRRAY-GFCCVEGCSA-N 1 0 303.328 2.278 10 0 DEAERO Cc1ccncc1C[NH2+][C@@H]1CCCN(c2ccccc2C(N)=O)C1 ZINC000373005322 133373981 /nfs/dbraw/zinc/37/39/81/133373981.db2.gz YDQXBFJBPZBHMA-MRXNPFEDSA-N 1 0 324.428 2.248 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)C1 ZINC000373019543 133374333 /nfs/dbraw/zinc/37/43/33/133374333.db2.gz HWBGUXPUVMDBTF-HZMVEIRTSA-N 1 0 323.481 2.196 10 0 DEAERO Cc1nccc(CN2CCC[C@H](Oc3ncccc3F)C2)n1 ZINC000373597903 133397252 /nfs/dbraw/zinc/39/72/52/133397252.db2.gz VOBPJZPIZRRPHX-AWEZNQCLSA-N 1 0 302.353 2.363 10 0 DEAERO Cc1ccc(C(N)=[NH2+])c(N2CCN(c3nccs3)CC2)c1 ZINC000051579064 134763447 /nfs/dbraw/zinc/76/34/47/134763447.db2.gz XFIHXWKVDGZSAX-UHFFFAOYSA-N 1 0 301.419 2.062 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CN(CCOc2c(Cl)cccc2Cl)CCO1 ZINC000128548814 195973734 /nfs/dbraw/zinc/97/37/34/195973734.db2.gz SQUKNWUOGRVBPH-MFKMUULPSA-N 1 0 319.232 2.420 10 0 DEAERO CC[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)C1CCOCC1 ZINC000547507895 285593852 /nfs/dbraw/zinc/59/38/52/285593852.db2.gz FXBHLNXFRQJPCK-KRWDZBQOSA-N 1 0 319.449 2.213 10 0 DEAERO COC1(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCC1 ZINC000181803955 292115559 /nfs/dbraw/zinc/11/55/59/292115559.db2.gz CBIXHOFMIUPDQV-OAHLLOKOSA-N 1 0 309.454 2.215 10 0 DEAERO O=C(N[C@H](CO)CC1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000548890705 285814344 /nfs/dbraw/zinc/81/43/44/285814344.db2.gz YKEWSWCGGAAJON-CGZBRXJRSA-N 1 0 323.481 2.244 10 0 DEAERO C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C1CCOCC1 ZINC000121585949 144684995 /nfs/dbraw/zinc/68/49/95/144684995.db2.gz MCTQQRDTMOEXNW-QAPCUYQASA-N 1 0 318.461 2.338 10 0 DEAERO CCOc1ccc(OCC(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000186528747 144984324 /nfs/dbraw/zinc/98/43/24/144984324.db2.gz ZGPRLFPBICQSDF-CQSZACIVSA-N 1 0 318.417 2.207 10 0 DEAERO Cc1cc2c(cc1C)O[C@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)C2 ZINC000186549531 144985000 /nfs/dbraw/zinc/98/50/00/144985000.db2.gz SSJROVSPVHPQRV-YJBOKZPZSA-N 1 0 314.429 2.350 10 0 DEAERO CC(C)[C@](C)(O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000187025793 144993412 /nfs/dbraw/zinc/99/34/12/144993412.db2.gz GMWWZGPSHLUIIM-QGZVFWFLSA-N 1 0 302.422 2.316 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000187613462 145001499 /nfs/dbraw/zinc/00/14/99/145001499.db2.gz KLKZFJWRGXYYRO-ZBFHGGJFSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@@H](NC(=O)c1coc(C[NH3+])c1)c1ccccc1-n1cccn1 ZINC000187745832 145003355 /nfs/dbraw/zinc/00/33/55/145003355.db2.gz NJYRWQGAVGHXRJ-GFCCVEGCSA-N 1 0 310.357 2.415 10 0 DEAERO 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O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)NCC1CCCCC1 ZINC000252696343 145199798 /nfs/dbraw/zinc/19/97/98/145199798.db2.gz ZIGQCSOPCXDRCF-WMZOPIPTSA-N 1 0 308.466 2.310 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc(N)nc(Cl)c1 ZINC000252661486 145199930 /nfs/dbraw/zinc/19/99/30/145199930.db2.gz LDHWNCGPXUWOSH-JQWIXIFHSA-N 1 0 308.813 2.016 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccon1 ZINC000252977889 145200868 /nfs/dbraw/zinc/20/08/68/145200868.db2.gz WBZBSGAWDPVYSP-GXTWGEPZSA-N 1 0 315.377 2.102 10 0 DEAERO C[C@@H](NC(=O)CN(CC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000261558350 145208056 /nfs/dbraw/zinc/20/80/56/145208056.db2.gz YEMGDIXTIOJLPY-MRXNPFEDSA-N 1 0 311.429 2.325 10 0 DEAERO CC1(C)CN(C(=O)c2ncccc2Br)CC[C@H]1[NH3+] ZINC000261589906 145208699 /nfs/dbraw/zinc/20/86/99/145208699.db2.gz WQKWIWKTBWYQRQ-SNVBAGLBSA-N 1 0 312.211 2.044 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2ccc(Cl)s2)CC[C@H]1[NH3+] ZINC000261587684 145208781 /nfs/dbraw/zinc/20/87/81/145208781.db2.gz VCILXLLPPGANIY-MRVPVSSYSA-N 1 0 308.856 2.149 10 0 DEAERO CCC(C)(C)NC(=O)CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261601300 145209296 /nfs/dbraw/zinc/20/92/96/145209296.db2.gz AGJPRYKNMCVPAK-HNNXBMFYSA-N 1 0 307.413 2.077 10 0 DEAERO C[C@@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)OCCO2 ZINC000261626227 145211946 /nfs/dbraw/zinc/21/19/46/145211946.db2.gz CQRWYPVFYXIYFV-MLGOLLRUSA-N 1 0 318.417 2.413 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)COC1CCCCC1 ZINC000261652388 145213686 /nfs/dbraw/zinc/21/36/86/145213686.db2.gz DGYUOAOSWNUGMS-UHFFFAOYSA-N 1 0 304.434 2.366 10 0 DEAERO C[C@]1(CCc2ccccc2)CCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261668464 145215106 /nfs/dbraw/zinc/21/51/06/145215106.db2.gz BSUXOAPNBVFEHP-SFHVURJKSA-N 1 0 316.445 2.366 10 0 DEAERO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261675633 145215695 /nfs/dbraw/zinc/21/56/95/145215695.db2.gz AITZVYWFQSGCAN-IINYFYTJSA-N 1 0 312.360 2.318 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c(Cl)c1 ZINC000261677060 145215771 /nfs/dbraw/zinc/21/57/71/145215771.db2.gz GLGPYTUBUKYUJA-CYBMUJFWSA-N 1 0 316.854 2.396 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000261685687 145216723 /nfs/dbraw/zinc/21/67/23/145216723.db2.gz HFVILCIVPTXQKO-FGTMMUONSA-N 1 0 316.445 2.222 10 0 DEAERO Cc1nc(-c2cccc(NC(=O)C3([NH3+])CCOCC3)c2)oc1C ZINC000261692579 145217366 /nfs/dbraw/zinc/21/73/66/145217366.db2.gz DHLNABQZHKJGGY-UHFFFAOYSA-N 1 0 315.373 2.405 10 0 DEAERO [NH3+]C1(c2noc([C@@H]3CSCN3C(=O)C3CCCC3)n2)CCC1 ZINC000261718769 145219695 /nfs/dbraw/zinc/21/96/95/145219695.db2.gz JLUIVEXKFCQPIN-NSHDSACASA-N 1 0 322.434 2.172 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)c1csc2cncn21 ZINC000261731070 145221166 /nfs/dbraw/zinc/22/11/66/145221166.db2.gz MWBPAWAHPPLMPN-UHFFFAOYSA-N 1 0 314.414 2.039 10 0 DEAERO C[C@@H]1CC[C@@H](CCC(=O)N(CC[NH3+])CCc2ccccc2)O1 ZINC000261744657 145222060 /nfs/dbraw/zinc/22/20/60/145222060.db2.gz OIXUSRNNEHMQLI-WBVHZDCISA-N 1 0 304.434 2.364 10 0 DEAERO Cc1cc(C)cc(-n2ncc(CN3CC[C@@H]([NH3+])C(C)(C)C3)n2)c1 ZINC000261741298 145222291 /nfs/dbraw/zinc/22/22/91/145222291.db2.gz PEQRYKXICMTPLM-QGZVFWFLSA-N 1 0 313.449 2.443 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000261753868 145222700 /nfs/dbraw/zinc/22/27/00/145222700.db2.gz UEEMUWZLYJYUNS-SKDRFNHKSA-N 1 0 302.296 2.313 10 0 DEAERO Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C[C@@H](C)[NH3+])cc1 ZINC000261788235 145226767 /nfs/dbraw/zinc/22/67/67/145226767.db2.gz KBKNURBOJNVLJG-HIFRSBDPSA-N 1 0 306.406 2.231 10 0 DEAERO CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261806899 145228386 /nfs/dbraw/zinc/22/83/86/145228386.db2.gz WLSGWVSFRMEHME-INIZCTEOSA-N 1 0 321.440 2.233 10 0 DEAERO CCC[C@H]1C[NH2+]CCN1Cc1ccc2c(c1)sc(=O)n2C ZINC000261807602 145228668 /nfs/dbraw/zinc/22/86/68/145228668.db2.gz HLNYORBNPZYRRG-ZDUSSCGKSA-N 1 0 305.447 2.174 10 0 DEAERO COc1c(C)cc(CN(C)C(=O)[C@@H]([NH3+])C2CCOCC2)cc1C ZINC000261827220 145231141 /nfs/dbraw/zinc/23/11/41/145231141.db2.gz PTRHXGHIBAQYIV-INIZCTEOSA-N 1 0 320.433 2.024 10 0 DEAERO C[C@@H](NC(=O)CN1CCCC[C@H]1CC[NH3+])c1ccc(F)cc1 ZINC000261854653 145233638 /nfs/dbraw/zinc/23/36/38/145233638.db2.gz DZWCZLUAAOKALW-CJNGLKHVSA-N 1 0 307.413 2.206 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)n1 ZINC000261862751 145234702 /nfs/dbraw/zinc/23/47/02/145234702.db2.gz ULZWTNYLWMNGDH-WDMOLILDSA-N 1 0 314.389 2.482 10 0 DEAERO COC(=O)[C@H](C)[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000261862553 145234951 /nfs/dbraw/zinc/23/49/51/145234951.db2.gz XABOPAJHBSYKST-MIGQKNRLSA-N 1 0 318.417 2.028 10 0 DEAERO CCCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000261865914 145235362 /nfs/dbraw/zinc/23/53/62/145235362.db2.gz GMGVGQOEQSLQEY-BBRMVZONSA-N 1 0 307.413 2.077 10 0 DEAERO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1C(C)(C)C ZINC000261900117 145239787 /nfs/dbraw/zinc/23/97/87/145239787.db2.gz WDFBWTJDNXUVEI-OKILXGFUSA-N 1 0 304.438 2.018 10 0 DEAERO CCN(CCc1cccs1)C(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000261904114 145240280 /nfs/dbraw/zinc/24/02/80/145240280.db2.gz FIIGMGNXHLCAKC-MRXNPFEDSA-N 1 0 310.463 2.155 10 0 DEAERO Clc1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c(-n2cncn2)c1 ZINC000261922905 145242450 /nfs/dbraw/zinc/24/24/50/145242450.db2.gz KRNQOIHTRFIYFR-OAHLLOKOSA-N 1 0 317.824 2.247 10 0 DEAERO c1csc(CN(Cc2cocn2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261922977 145242528 /nfs/dbraw/zinc/24/25/28/145242528.db2.gz KSFZLWZGQXTYKK-CYBMUJFWSA-N 1 0 304.419 2.275 10 0 DEAERO Cn1nc(C2CCCCC2)cc1NC(=O)C1(C[NH3+])CCOCC1 ZINC000261946641 145245660 /nfs/dbraw/zinc/24/56/60/145245660.db2.gz NRUSLKYXTQWTNP-UHFFFAOYSA-N 1 0 320.437 2.162 10 0 DEAERO CC(=O)Nc1cccc(N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261952217 145246560 /nfs/dbraw/zinc/24/65/60/145246560.db2.gz OLOHDWZWYPDLIA-BRWVUGGUSA-N 1 0 303.406 2.214 10 0 DEAERO [NH3+]C1(C(=O)NCC2(c3ccc(F)cc3)CCCC2)CCOCC1 ZINC000261952514 145246633 /nfs/dbraw/zinc/24/66/33/145246633.db2.gz ZEHSCHQZOKLAFH-UHFFFAOYSA-N 1 0 320.408 2.262 10 0 DEAERO C[C@H](NC(=O)CN1CCC[C@H](C)[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000261959625 145247055 /nfs/dbraw/zinc/24/70/55/145247055.db2.gz ONDUXGVMNBWYOV-XEZPLFJOSA-N 1 0 307.413 2.062 10 0 DEAERO COc1ccccc1-n1nccc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000262052708 145257888 /nfs/dbraw/zinc/25/78/88/145257888.db2.gz ZUMDNWQOSNXUJA-GASCZTMLSA-N 1 0 312.417 2.207 10 0 DEAERO CCC(=O)Nc1cccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000262105166 145262482 /nfs/dbraw/zinc/26/24/82/145262482.db2.gz VFYCOMYRDXYZOL-CQSZACIVSA-N 1 0 303.406 2.235 10 0 DEAERO Fc1ccc(-n2ccc(CN(C3CC3)[C@@H]3CC[NH2+]C3)n2)c(F)c1 ZINC000262124770 145263549 /nfs/dbraw/zinc/26/35/49/145263549.db2.gz MTKIMIMHYZUYHC-OAHLLOKOSA-N 1 0 318.371 2.477 10 0 DEAERO Cc1cccc(NC(=O)CN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000262134045 145265435 /nfs/dbraw/zinc/26/54/35/145265435.db2.gz LUSAFIFPJFHDKM-UHFFFAOYSA-N 1 0 301.434 2.398 10 0 DEAERO COCC[NH2+]CC(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000262145665 145266104 /nfs/dbraw/zinc/26/61/04/145266104.db2.gz YJTUGUJGBFADEL-SECBINFHSA-N 1 0 305.205 2.407 10 0 DEAERO C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000262312655 145275705 /nfs/dbraw/zinc/27/57/05/145275705.db2.gz PZYFPBRJAJEBAN-GWCFXTLKSA-N 1 0 316.323 2.261 10 0 DEAERO Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262334713 145277249 /nfs/dbraw/zinc/27/72/49/145277249.db2.gz SOVTTXRNAZVQBJ-XJKSGUPXSA-N 1 0 324.380 2.205 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)CC[NH2+]1 ZINC000262378694 145279720 /nfs/dbraw/zinc/27/97/20/145279720.db2.gz NMMWJEFCOAEXCS-NXNVCVFFSA-N 1 0 302.418 2.363 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1ccc(F)c(F)c1 ZINC000262402147 145281189 /nfs/dbraw/zinc/28/11/89/145281189.db2.gz CKSCIXWNPRZYDK-OWRWGESLSA-N 1 0 310.344 2.436 10 0 DEAERO COc1cc(CN(C)C(=O)[C@H]2[NH2+]CCCC2(C)C)ccc1O ZINC000262395608 145281474 /nfs/dbraw/zinc/28/14/74/145281474.db2.gz BTYLFNLTPPLZGC-OAHLLOKOSA-N 1 0 306.406 2.137 10 0 DEAERO Cc1ccc(O)c(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000262425982 145283697 /nfs/dbraw/zinc/28/36/97/145283697.db2.gz FKGQVQCCVOYFQP-JDSLSITLSA-N 1 0 304.390 2.172 10 0 DEAERO C[C@@H](C(=O)/N=c1/sccn1Cc1ccccc1F)C1C[NH2+]C1 ZINC000262433223 145283745 /nfs/dbraw/zinc/28/37/45/145283745.db2.gz TZSXKRISEHHSSO-JVRXMHAUSA-N 1 0 319.405 2.020 10 0 DEAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262446888 145284305 /nfs/dbraw/zinc/28/43/05/145284305.db2.gz YUUDSZCXWZYWEN-BHYGNILZSA-N 1 0 304.434 2.265 10 0 DEAERO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1nc(C(C)(C)C)no1 ZINC000262468278 145285658 /nfs/dbraw/zinc/28/56/58/145285658.db2.gz MXYLARGCBSSQPA-LOWDOPEQSA-N 1 0 320.437 2.465 10 0 DEAERO COc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000262486955 145287382 /nfs/dbraw/zinc/28/73/82/145287382.db2.gz KNNOQPOFKBTEGX-JKIFEVAISA-N 1 0 304.390 2.166 10 0 DEAERO COc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000262486954 145287435 /nfs/dbraw/zinc/28/74/35/145287435.db2.gz KNNOQPOFKBTEGX-JJRVBVJISA-N 1 0 304.390 2.166 10 0 DEAERO O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000262511202 145288888 /nfs/dbraw/zinc/28/88/88/145288888.db2.gz JPUSMTBNBXPBIM-BRWVUGGUSA-N 1 0 302.418 2.208 10 0 DEAERO Cc1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000262553502 145292134 /nfs/dbraw/zinc/29/21/34/145292134.db2.gz SWEWQFFAPASAJS-RVKKMQEKSA-N 1 0 302.418 2.144 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@H]3CCC[C@@H]3C[NH3+])nc21 ZINC000262579185 145294851 /nfs/dbraw/zinc/29/48/51/145294851.db2.gz LHKARSUQAIFLPW-OLZOCXBDSA-N 1 0 300.406 2.048 10 0 DEAERO O=C(NCC[C@H]1CC[NH2+]C1)C1=Cc2cc(Cl)ccc2OC1 ZINC000262580131 145295077 /nfs/dbraw/zinc/29/50/77/145295077.db2.gz NZYYUUCQXMJSDG-LLVKDONJSA-N 1 0 306.793 2.232 10 0 DEAERO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)nc1 ZINC000262677042 145300085 /nfs/dbraw/zinc/30/00/85/145300085.db2.gz SYHVQDNKGVXTHH-OAGGEKHMSA-N 1 0 316.449 2.229 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000262707352 145300753 /nfs/dbraw/zinc/30/07/53/145300753.db2.gz BUBMQFLAKCQNNR-MRVPVSSYSA-N 1 0 305.209 2.044 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262719081 145301582 /nfs/dbraw/zinc/30/15/82/145301582.db2.gz FGRHQLGBDQATNT-ABAIWWIYSA-N 1 0 318.808 2.254 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000262726553 145301868 /nfs/dbraw/zinc/30/18/68/145301868.db2.gz HIZLQBHYWGWOCW-GUYCJALGSA-N 1 0 324.428 2.478 10 0 DEAERO CSc1cccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c1C ZINC000262770740 145303992 /nfs/dbraw/zinc/30/39/92/145303992.db2.gz ISWSRZSIHXHESC-UHFFFAOYSA-N 1 0 302.403 2.338 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cc3c(s2)CCCC3)n1 ZINC000263150702 145330326 /nfs/dbraw/zinc/33/03/26/145330326.db2.gz DBECTJWKPOQXEX-NSHDSACASA-N 1 0 304.419 2.253 10 0 DEAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(F)c(-c2cccs2)c1 ZINC000263194736 145335164 /nfs/dbraw/zinc/33/51/64/145335164.db2.gz IHQNHGLAHWGLKI-SWLSCSKDSA-N 1 0 306.406 2.224 10 0 DEAERO CO[C@H](C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309921991 145350420 /nfs/dbraw/zinc/35/04/20/145350420.db2.gz RFKUWUDEUGDMLJ-BSWAZPDLSA-N 1 0 302.418 2.048 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCOC2)c2ccccc2C1 ZINC000346862498 146155020 /nfs/dbraw/zinc/15/50/20/146155020.db2.gz DQASLDOBWXKRBN-QAPCUYQASA-N 1 0 302.418 2.496 10 0 DEAERO CC(C)[C@H](C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC000349570630 146386959 /nfs/dbraw/zinc/38/69/59/146386959.db2.gz SWOVKRZNVOQIME-ZIAGYGMSSA-N 1 0 320.437 2.239 10 0 DEAERO C[C@@](O)(CNC(=O)NCCC[NH+]1CCCC1)C1CCCCC1 ZINC000358277103 147104577 /nfs/dbraw/zinc/10/45/77/147104577.db2.gz QSZCPUASSDNOCZ-QGZVFWFLSA-N 1 0 311.470 2.103 10 0 DEAERO C[C@@H](CSc1n[nH]c(-c2ccc3c(c2)OCCO3)n1)[NH+](C)C ZINC000358816844 147212653 /nfs/dbraw/zinc/21/26/53/147212653.db2.gz SSSXYPTZFJPDQC-JTQLQIEISA-N 1 0 320.418 2.285 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCOc1ccc(F)cc1 ZINC000371292502 148083901 /nfs/dbraw/zinc/08/39/01/148083901.db2.gz CISHFHSAFBMPJP-NXHRZFHOSA-N 1 0 322.424 2.388 10 0 DEAERO FC(F)(F)c1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000371816319 148143274 /nfs/dbraw/zinc/14/32/74/148143274.db2.gz NERRDEXCWWWUMR-CQSZACIVSA-N 1 0 300.324 2.222 10 0 DEAERO O=C(c1ccnc2ccncc21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000372316001 148193757 /nfs/dbraw/zinc/19/37/57/148193757.db2.gz PBOQSEJZHAFBBQ-AWEZNQCLSA-N 1 0 310.401 2.330 10 0 DEAERO COCCC[C@H](C)[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000374593797 148266964 /nfs/dbraw/zinc/26/69/64/148266964.db2.gz NPFVZXWQUWRRLF-HOTGVXAUSA-N 1 0 320.433 2.071 10 0 DEAERO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374707775 148280538 /nfs/dbraw/zinc/28/05/38/148280538.db2.gz RHPWQBGQGIVZTD-BBRMVZONSA-N 1 0 321.465 2.365 10 0 DEAERO CCCOc1ccc(CN2CCN3CCOC[C@H]3C2)cc1OC ZINC000375239601 148345781 /nfs/dbraw/zinc/34/57/81/148345781.db2.gz VAVCGRXYXYVFQU-MRXNPFEDSA-N 1 0 320.433 2.000 10 0 DEAERO Cc1oc(-c2cccs2)nc1CN1CCN2CCOC[C@H]2C1 ZINC000375236416 148346028 /nfs/dbraw/zinc/34/60/28/148346028.db2.gz GBIAAZSFFBQLAL-CYBMUJFWSA-N 1 0 319.430 2.228 10 0 DEAERO CCc1cnc(CCNC(=O)N[C@@H](C)C[NH+]2CCCCC2)s1 ZINC000073664319 401720051 /nfs/dbraw/zinc/72/00/51/401720051.db2.gz SXFKERCHTUXGSW-ZDUSSCGKSA-N 1 0 324.494 2.422 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000073793658 401721982 /nfs/dbraw/zinc/72/19/82/401721982.db2.gz HRCZDFHUGQVHGV-YESZJQIVSA-N 1 0 315.461 2.457 10 0 DEAERO Cc1ccccc1[C@@H](C)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111789310 401723901 /nfs/dbraw/zinc/72/39/01/401723901.db2.gz IXMJFLBVJFNRPF-OAHLLOKOSA-N 1 0 319.449 2.060 10 0 DEAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnn2c1CCCC2 ZINC000127199672 401724153 /nfs/dbraw/zinc/72/41/53/401724153.db2.gz SASZADHGQWRDMT-QLFBSQMISA-N 1 0 318.465 2.316 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCC[C@H](n2cc(C)cn2)C1)C1CC1 ZINC000111849960 401726047 /nfs/dbraw/zinc/72/60/47/401726047.db2.gz VSFXUGVOYKHNBY-INIZCTEOSA-N 1 0 319.453 2.022 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3c2CCCC3)[C@H](C)C1 ZINC000127329020 401729060 /nfs/dbraw/zinc/72/90/60/401729060.db2.gz MAUNJBYBIJIEMC-DOMZBBRYSA-N 1 0 304.438 2.091 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(Cc2cnc3nc(C)cc(C)n23)C1 ZINC000127348967 401730458 /nfs/dbraw/zinc/73/04/58/401730458.db2.gz RZTFWQGFISMFMO-OAHLLOKOSA-N 1 0 301.438 2.262 10 0 DEAERO COCC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000112352418 401740483 /nfs/dbraw/zinc/74/04/83/401740483.db2.gz NWWONVPVXJGTKR-CYBMUJFWSA-N 1 0 322.371 2.146 10 0 DEAERO C[NH+](C)CCN(C(=O)c1cnn2c1CCCC2)c1ccccc1 ZINC000126487443 401696715 /nfs/dbraw/zinc/69/67/15/401696715.db2.gz AVJNIUITEAQPCO-UHFFFAOYSA-N 1 0 312.417 2.428 10 0 DEAERO O=C(CN1CCCC[C@H]1CCO)NCc1ccc(Cl)s1 ZINC000111240298 401702707 /nfs/dbraw/zinc/70/27/07/401702707.db2.gz TXZPYUAIWJPEMN-NSHDSACASA-N 1 0 316.854 2.255 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CCn2c3ccccc3oc2=O)C[C@@H]1C ZINC000072293962 401707287 /nfs/dbraw/zinc/70/72/87/401707287.db2.gz RIHXBKJHUAAUOO-LSDHHAIUSA-N 1 0 317.433 2.399 10 0 DEAERO C[N@H+](CCn1cccn1)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000111278954 401707651 /nfs/dbraw/zinc/70/76/51/401707651.db2.gz MMWVGVSLBHJDAU-MRXNPFEDSA-N 1 0 323.824 2.046 10 0 DEAERO C[C@H](CNC(=O)c1cnn2c1CCCC2)C[NH+]1CCCCC1 ZINC000127018763 401716866 /nfs/dbraw/zinc/71/68/66/401716866.db2.gz LQWJHUVDHHFRDR-CQSZACIVSA-N 1 0 304.438 2.071 10 0 DEAERO CCC(CC)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415537 401798506 /nfs/dbraw/zinc/79/85/06/401798506.db2.gz NYOMKABDOACEKG-UHFFFAOYSA-N 1 0 318.465 2.228 10 0 DEAERO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)n(C)n1 ZINC000114493705 401802558 /nfs/dbraw/zinc/80/25/58/401802558.db2.gz BMRLJRAPVUUBNG-KRWDZBQOSA-N 1 0 302.422 2.489 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000077003265 401802862 /nfs/dbraw/zinc/80/28/62/401802862.db2.gz PEXCDWOQZAPLKS-JKSUJKDBSA-N 1 0 323.412 2.249 10 0 DEAERO CNNc1[nH+]nc(-n2nc(C)cc2C)c2[nH]c3ccccc3c21 ZINC000013825013 401804712 /nfs/dbraw/zinc/80/47/12/401804712.db2.gz LZAUTKZCXBBSMB-UHFFFAOYSA-N 1 0 307.361 2.460 10 0 DEAERO Cc1cccc(C)c1OCCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000112697946 401754648 /nfs/dbraw/zinc/75/46/48/401754648.db2.gz ZZMXHAPUQAFHEU-KRWDZBQOSA-N 1 0 306.450 2.335 10 0 DEAERO C[C@@H]1C[NH+](CCCNC(=O)N2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC000112741894 401757410 /nfs/dbraw/zinc/75/74/10/401757410.db2.gz YXBUGEFTKYCIPR-HUUCEWRRSA-N 1 0 311.470 2.317 10 0 DEAERO Fc1ccc(OC2CC[NH+](CCCN3CCOCC3)CC2)cc1 ZINC000075746158 401768043 /nfs/dbraw/zinc/76/80/43/401768043.db2.gz ONRNUDKRYIWQCI-UHFFFAOYSA-N 1 0 322.424 2.391 10 0 DEAERO CCOc1ccc(OCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113226724 401770778 /nfs/dbraw/zinc/77/07/78/401770778.db2.gz LQXBLINQKUDDMU-LSDHHAIUSA-N 1 0 318.417 2.159 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000113231483 401771567 /nfs/dbraw/zinc/77/15/67/401771567.db2.gz LPJZYNXSJOTLIY-CRAIPNDOSA-N 1 0 324.428 2.110 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000113367118 401777412 /nfs/dbraw/zinc/77/74/12/401777412.db2.gz ZFHOXUIHYRTTFT-TZMCWYRMSA-N 1 0 317.389 2.158 10 0 DEAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1cccc(O)c1 ZINC000113621927 401784113 /nfs/dbraw/zinc/78/41/13/401784113.db2.gz XRKJRLUAKDYOCF-VNHYZAJKSA-N 1 0 303.406 2.331 10 0 DEAERO OCC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000077761418 401829683 /nfs/dbraw/zinc/82/96/83/401829683.db2.gz FIRSQUIXWPWYFJ-LLVKDONJSA-N 1 0 320.216 2.190 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Br)cc1 ZINC000078469447 401852259 /nfs/dbraw/zinc/85/22/59/401852259.db2.gz ORTZTRPHUBFWBC-FZMZJTMJSA-N 1 0 313.239 2.430 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)CCO1 ZINC000116795826 401859275 /nfs/dbraw/zinc/85/92/75/401859275.db2.gz ILRIZEXLAMMGRW-OAHLLOKOSA-N 1 0 322.836 2.161 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc3c(s2)CCCC3)CCO1 ZINC000116796255 401859756 /nfs/dbraw/zinc/85/97/56/401859756.db2.gz WNUURAHSLSHQTO-ZDUSSCGKSA-N 1 0 308.447 2.030 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000030568160 401863964 /nfs/dbraw/zinc/86/39/64/401863964.db2.gz VUUYUKJSZWOAOW-CJNGLKHVSA-N 1 0 317.433 2.353 10 0 DEAERO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000132321505 401865722 /nfs/dbraw/zinc/86/57/22/401865722.db2.gz WRCHOBVFYHAZJS-VCANKDNSSA-N 1 0 306.454 2.367 10 0 DEAERO COc1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc2c1OCCO2 ZINC000129945023 401812360 /nfs/dbraw/zinc/81/23/60/401812360.db2.gz WWJFVBWMBNJULA-CYBMUJFWSA-N 1 0 319.401 2.467 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1csc(-c2cnccn2)n1 ZINC000077425947 401815353 /nfs/dbraw/zinc/81/53/53/401815353.db2.gz MSUWSUICJKTYPC-NSHDSACASA-N 1 0 319.434 2.060 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(C(=O)OC(C)C)cc1 ZINC000135140665 401927718 /nfs/dbraw/zinc/92/77/18/401927718.db2.gz QRCZHLFKIXHUKF-QGZVFWFLSA-N 1 0 309.406 2.129 10 0 DEAERO CC[C@@H]1CN(C(=O)Cc2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC000117300106 401873394 /nfs/dbraw/zinc/87/33/94/401873394.db2.gz LEPRCIUXCHDWKU-MRXNPFEDSA-N 1 0 324.852 2.452 10 0 DEAERO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2nc(C)cs2)ncn1 ZINC000117385433 401875939 /nfs/dbraw/zinc/87/59/39/401875939.db2.gz BAAPVCZTACJVKD-LBPRGKRZSA-N 1 0 318.450 2.042 10 0 DEAERO CN(C)c1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000032273401 401877451 /nfs/dbraw/zinc/87/74/51/401877451.db2.gz ORRJFXUNUHRDDJ-INIZCTEOSA-N 1 0 312.417 2.180 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H]1C1CCCC1 ZINC000079612849 401877490 /nfs/dbraw/zinc/87/74/90/401877490.db2.gz SIWWWUANFQIBEF-QGZVFWFLSA-N 1 0 323.481 2.463 10 0 DEAERO CC[C@H]1CCCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000117478642 401878388 /nfs/dbraw/zinc/87/83/88/401878388.db2.gz FLESCPOGYGSXTG-INIZCTEOSA-N 1 0 311.470 2.321 10 0 DEAERO CC[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000117495181 401878410 /nfs/dbraw/zinc/87/84/10/401878410.db2.gz HXZQHVMJZZTNKN-HOTGVXAUSA-N 1 0 311.470 2.319 10 0 DEAERO Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[N@@H+](C3CC3)CC1)C2 ZINC000079848225 401881981 /nfs/dbraw/zinc/88/19/81/401881981.db2.gz KXASXIRWYIOBSJ-GOSISDBHSA-N 1 0 314.429 2.304 10 0 DEAERO C[C@]1(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000133329847 401882219 /nfs/dbraw/zinc/88/22/19/401882219.db2.gz HTKTWJGQVHBHDK-DOTOQJQBSA-N 1 0 309.454 2.215 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1 ZINC000133364080 401882895 /nfs/dbraw/zinc/88/28/95/401882895.db2.gz HEQQENRRQWRSEU-KRWDZBQOSA-N 1 0 312.413 2.224 10 0 DEAERO C[C@@H]1CCC[C@H](C[NH+]2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000133383988 401884047 /nfs/dbraw/zinc/88/40/47/401884047.db2.gz FKCYVEBJYXLNHB-CABCVRRESA-N 1 0 314.437 2.073 10 0 DEAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCC1CC[NH+](C)CC1 ZINC000117778175 401884491 /nfs/dbraw/zinc/88/44/91/401884491.db2.gz VBZGUFCLAVJOJH-DYVFJYSZSA-N 1 0 302.418 2.399 10 0 DEAERO Cc1cnn(CCNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000118064385 401890182 /nfs/dbraw/zinc/89/01/82/401890182.db2.gz QBVWSESIAKJAPT-PBHICJAKSA-N 1 0 321.469 2.001 10 0 DEAERO COC(=O)c1csc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000119241185 401935641 /nfs/dbraw/zinc/93/56/41/401935641.db2.gz MIYHCHDSEIHRBY-USWWRNFRSA-N 1 0 308.403 2.394 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089108227 401935705 /nfs/dbraw/zinc/93/57/05/401935705.db2.gz XVBISBAKFYKCNZ-YPMHNXCESA-N 1 0 316.854 2.444 10 0 DEAERO Cc1ccccc1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000035230388 401897102 /nfs/dbraw/zinc/89/71/02/401897102.db2.gz MRVYSPFMHDIQLK-CYBMUJFWSA-N 1 0 304.415 2.493 10 0 DEAERO CCN(CC)C(=O)C[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083249976 401900646 /nfs/dbraw/zinc/90/06/46/401900646.db2.gz GJTDGOAIMBFASW-AWEZNQCLSA-N 1 0 320.433 2.362 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c(C)s1 ZINC000089108185 401935883 /nfs/dbraw/zinc/93/58/83/401935883.db2.gz XIZCWNYTFZNZEG-RYUDHWBXSA-N 1 0 302.465 2.161 10 0 DEAERO CC[C@@](C)(CO)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000084440039 401905363 /nfs/dbraw/zinc/90/53/63/401905363.db2.gz LMNGCOQGIGVVNY-BBRMVZONSA-N 1 0 300.443 2.384 10 0 DEAERO C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccncc1 ZINC000118754834 401906670 /nfs/dbraw/zinc/90/66/70/401906670.db2.gz QYKQQXRSGODOCZ-OAHLLOKOSA-N 1 0 317.433 2.294 10 0 DEAERO CCn1cc(C2CCN(C(=O)[C@@]3(CC)CCC[NH2+]3)CC2)cn1 ZINC000134591522 401907883 /nfs/dbraw/zinc/90/78/83/401907883.db2.gz GYYSLSFNDDWRCC-QGZVFWFLSA-N 1 0 304.438 2.141 10 0 DEAERO CCc1nc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cs1 ZINC000085360946 401914470 /nfs/dbraw/zinc/91/44/70/401914470.db2.gz IMXKNOSPDWYCGI-LLVKDONJSA-N 1 0 312.483 2.481 10 0 DEAERO CC[C@H](C(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1)[NH+](C)C ZINC000134798579 401915032 /nfs/dbraw/zinc/91/50/32/401915032.db2.gz OMGTUYVNUBIPHF-HZPDHXFCSA-N 1 0 308.397 2.374 10 0 DEAERO COC(=O)C[C@@H]([NH3+])c1cc(OC)c(OC)cc1Br ZINC000037754942 401917076 /nfs/dbraw/zinc/91/70/76/401917076.db2.gz NVHNTVBCNLKQPD-SECBINFHSA-N 1 0 318.167 2.029 10 0 DEAERO C[N@H+](CC1CCCCC1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085784488 401918409 /nfs/dbraw/zinc/91/84/09/401918409.db2.gz SUHYMEFLTBBGRA-HNNXBMFYSA-N 1 0 302.484 2.170 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000134958051 401922376 /nfs/dbraw/zinc/92/23/76/401922376.db2.gz SVHLWGXCQSUXQR-NSHDSACASA-N 1 0 321.396 2.171 10 0 DEAERO C[C@@H]1C[NH2+][C@@H](C)CN1CCCc1nc(-c2cccs2)no1 ZINC000086469622 401923680 /nfs/dbraw/zinc/92/36/80/401923680.db2.gz NBGQWKQLJGQSBG-NWDGAFQWSA-N 1 0 306.435 2.413 10 0 DEAERO CCN(CCc1nccs1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119703040 401963514 /nfs/dbraw/zinc/96/35/14/401963514.db2.gz SMALIIKGKUMGSD-ZDUSSCGKSA-N 1 0 322.478 2.201 10 0 DEAERO CC(C)c1cc(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)[nH]n1 ZINC000120672815 401997912 /nfs/dbraw/zinc/99/79/12/401997912.db2.gz SBVDDCSIENDTJM-ZDUSSCGKSA-N 1 0 315.421 2.362 10 0 DEAERO COCCC1(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)CCC1 ZINC000119845236 401968970 /nfs/dbraw/zinc/96/89/70/401968970.db2.gz LKGKCBKYKBDYSP-HNNXBMFYSA-N 1 0 313.486 2.469 10 0 DEAERO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000119899964 401971010 /nfs/dbraw/zinc/97/10/10/401971010.db2.gz YJDZKTNGSVZAFI-QZTJIDSGSA-N 1 0 321.509 2.299 10 0 DEAERO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090003947 401978211 /nfs/dbraw/zinc/97/82/11/401978211.db2.gz KOUPXTWVSDHLJM-JKSUJKDBSA-N 1 0 320.481 2.225 10 0 DEAERO CCN(CCc1nccs1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000120136143 401979476 /nfs/dbraw/zinc/97/94/76/401979476.db2.gz CSSDRXKNVHYXKH-KBPBESRZSA-N 1 0 324.494 2.446 10 0 DEAERO Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000137153867 401979816 /nfs/dbraw/zinc/97/98/16/401979816.db2.gz YHPDPSHDNSNMPY-HOCLYGCPSA-N 1 0 302.422 2.016 10 0 DEAERO Cc1cnn([C@@H]2CCCN(CCCS(=O)(=O)C(C)C)C2)c1 ZINC000120181791 401981366 /nfs/dbraw/zinc/98/13/66/401981366.db2.gz 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/nfs/dbraw/zinc/99/12/30/401991230.db2.gz QXSWHHPPURUGPF-MRXNPFEDSA-N 1 0 311.470 2.175 10 0 DEAERO C[NH+](C)CCOc1cc(CNc2ccnc(C3CC3)n2)ccn1 ZINC000135375970 401937834 /nfs/dbraw/zinc/93/78/34/401937834.db2.gz RYJLCEAKBFAEHI-UHFFFAOYSA-N 1 0 313.405 2.302 10 0 DEAERO CC(C)(C)OC(=O)N1CCN(c2c[nH+]c3ccccn32)CC1 ZINC000089201139 401938660 /nfs/dbraw/zinc/93/86/60/401938660.db2.gz QKTLLAFJZWRVKA-UHFFFAOYSA-N 1 0 302.378 2.391 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(Oc3cnccn3)c2)C1 ZINC000135449347 401939964 /nfs/dbraw/zinc/93/99/64/401939964.db2.gz WCZSWYYBKHSBOS-CQSZACIVSA-N 1 0 312.373 2.045 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+]CCc1nc(C)no1)CCCO2 ZINC000089518748 401950474 /nfs/dbraw/zinc/95/04/74/401950474.db2.gz OSRPHNMLPNLICH-CQSZACIVSA-N 1 0 303.362 2.433 10 0 DEAERO COCCOc1ccccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000093479852 402015443 /nfs/dbraw/zinc/01/54/43/402015443.db2.gz VIIHIYQZZRZCEZ-BYICEURKSA-N 1 0 305.418 2.305 10 0 DEAERO CCC[C@H](C(=O)NC[C@H](C)Oc1cccc(OC)c1)[NH+](C)C ZINC000121194177 402019877 /nfs/dbraw/zinc/01/98/77/402019877.db2.gz MEYKZTWDOJDOCB-XJKSGUPXSA-N 1 0 308.422 2.309 10 0 DEAERO CC(C)Cc1ncc(CN2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000093818131 402020888 /nfs/dbraw/zinc/02/08/88/402020888.db2.gz VCJWEMGQIVQFIJ-OAHLLOKOSA-N 1 0 323.506 2.496 10 0 DEAERO O[C@H](CN[C@@H]1CCCOc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151265793 402026851 /nfs/dbraw/zinc/02/68/51/402026851.db2.gz OXIRZMHPOXTCHU-NVXWUHKLSA-N 1 0 322.424 2.476 10 0 DEAERO CCOc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000151521184 402041699 /nfs/dbraw/zinc/04/16/99/402041699.db2.gz RXZTZEJUKCZQDZ-AWEZNQCLSA-N 1 0 304.394 2.182 10 0 DEAERO Cc1cc(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n[nH]1 ZINC000151565492 402043628 /nfs/dbraw/zinc/04/36/28/402043628.db2.gz SENGNMJOGOTKPP-UHFFFAOYSA-N 1 0 312.417 2.173 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2ccc(OC)cc2)C1 ZINC000052593505 402044367 /nfs/dbraw/zinc/04/43/67/402044367.db2.gz SOLPSVMFDZHHDT-HNNXBMFYSA-N 1 0 305.422 2.321 10 0 DEAERO C[N@@H+](CC1=CCCOC1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000121740925 402051052 /nfs/dbraw/zinc/05/10/52/402051052.db2.gz JOBUHTFEIWZCSZ-INIZCTEOSA-N 1 0 322.474 2.400 10 0 DEAERO COc1ccccc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000150858838 402000786 /nfs/dbraw/zinc/00/07/86/402000786.db2.gz HOGDESRXYBCZLP-HIFRSBDPSA-N 1 0 305.422 2.223 10 0 DEAERO COc1ccc(C(F)(F)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000151819034 402058641 /nfs/dbraw/zinc/05/86/41/402058641.db2.gz QKJMRCPBVZVWIB-TZMCWYRMSA-N 1 0 324.371 2.482 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2C(C)(C)C)CC[N@@H+]1C ZINC000092814749 402009691 /nfs/dbraw/zinc/00/96/91/402009691.db2.gz MEUGAMFJJKKYQF-OLZOCXBDSA-N 1 0 306.454 2.272 10 0 DEAERO CN(CC[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000122576891 402084671 /nfs/dbraw/zinc/08/46/71/402084671.db2.gz YBCLEXQQEQUFME-ZDUSSCGKSA-N 1 0 317.355 2.363 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc3nccnc32)CC[N@@H+]1C ZINC000122754227 402092784 /nfs/dbraw/zinc/09/27/84/402092784.db2.gz SARKSJBCRGFBHO-DGCLKSJQSA-N 1 0 316.380 2.324 10 0 DEAERO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000152901204 402115751 /nfs/dbraw/zinc/11/57/51/402115751.db2.gz WWCNXIOCGXQZOV-QGPMSJSTSA-N 1 0 314.429 2.465 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCOCC(F)(F)F)[C@H](C)C1 ZINC000122210849 402067116 /nfs/dbraw/zinc/06/71/16/402067116.db2.gz VQODEJPEBKQVFK-NEPJUHHUSA-N 1 0 310.360 2.144 10 0 DEAERO CC[C@@](C)(O)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000123392818 402125665 /nfs/dbraw/zinc/12/56/65/402125665.db2.gz DZMQBSVKFCMFKV-GOSISDBHSA-N 1 0 304.434 2.350 10 0 DEAERO Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000153153108 402130381 /nfs/dbraw/zinc/13/03/81/402130381.db2.gz FPINEMFUQFCQGT-MSOLQXFVSA-N 1 0 316.445 2.155 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000123576742 402135787 /nfs/dbraw/zinc/13/57/87/402135787.db2.gz MHGKFQXQUORLER-WMLDXEAASA-N 1 0 321.440 2.199 10 0 DEAERO CC(=O)CC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000098136147 402138592 /nfs/dbraw/zinc/13/85/92/402138592.db2.gz DZUARHPDARSBSF-UHFFFAOYSA-N 1 0 308.809 2.467 10 0 DEAERO CCc1nc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)sc1C ZINC000123366270 402123981 /nfs/dbraw/zinc/12/39/81/402123981.db2.gz PZZYZUFFISTCAA-DGCLKSJQSA-N 1 0 324.494 2.367 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)C(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123761319 402144514 /nfs/dbraw/zinc/14/45/14/402144514.db2.gz VMPCUPSGPCQDKP-BXUZGUMPSA-N 1 0 308.809 2.464 10 0 DEAERO COc1ccccc1OCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123710359 402142405 /nfs/dbraw/zinc/14/24/05/402142405.db2.gz CLDDLDHZBDBSDA-KGLIPLIRSA-N 1 0 306.406 2.015 10 0 DEAERO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)ccc1F ZINC000153529057 402151210 /nfs/dbraw/zinc/15/12/10/402151210.db2.gz HGORAFGGDJLJBG-ZWNOBZJWSA-N 1 0 304.369 2.400 10 0 DEAERO Cn1nnc2cc(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)ccc21 ZINC000103739211 402193784 /nfs/dbraw/zinc/19/37/84/402193784.db2.gz URBDWXAOEUVDOQ-MRXNPFEDSA-N 1 0 323.400 2.001 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124799052 402198085 /nfs/dbraw/zinc/19/80/85/402198085.db2.gz ZCPNWXWMMZAFBV-INIZCTEOSA-N 1 0 304.438 2.001 10 0 DEAERO COc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1OC ZINC000124819007 402198488 /nfs/dbraw/zinc/19/84/88/402198488.db2.gz ACKVZFUPFCFRQV-CHWSQXEVSA-N 1 0 306.406 2.259 10 0 DEAERO COc1cccc(Cl)c1CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000153651768 402160492 /nfs/dbraw/zinc/16/04/92/402160492.db2.gz YHMBXJNVSNEHKP-LBPRGKRZSA-N 1 0 310.825 2.301 10 0 DEAERO C[C@@H]1CCCN(C(=O)C[NH2+][C@]2(CO)C[C@H](C)CC(C)(C)C2)C1 ZINC000124075045 402162518 /nfs/dbraw/zinc/16/25/18/402162518.db2.gz PESMDPSCTNQYMY-IIDMSEBBSA-N 1 0 310.482 2.412 10 0 DEAERO CCC1(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CCC1 ZINC000153680840 402162551 /nfs/dbraw/zinc/16/25/51/402162551.db2.gz VZRCUKIWHPHRHF-UHFFFAOYSA-N 1 0 320.437 2.154 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CCC1CCOCC1 ZINC000125214697 402219671 /nfs/dbraw/zinc/21/96/71/402219671.db2.gz CZURVYWKCZBVSO-INIZCTEOSA-N 1 0 313.486 2.421 10 0 DEAERO Cc1ccn2ncc(C(=O)NCC(C)(C)[NH+]3CCCCC3)c2n1 ZINC000069365536 402219919 /nfs/dbraw/zinc/21/99/19/402219919.db2.gz JCHKGAHKOIHUSX-UHFFFAOYSA-N 1 0 315.421 2.032 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2C)cc1NC(C)=O ZINC000154609383 402221433 /nfs/dbraw/zinc/22/14/33/402221433.db2.gz AFBONLIWTZTVDP-IUODEOHRSA-N 1 0 305.422 2.398 10 0 DEAERO C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCCC1 ZINC000106908769 402222033 /nfs/dbraw/zinc/22/20/33/402222033.db2.gz XKUZUGCYFYJPNO-FUHWJXTLSA-N 1 0 317.477 2.007 10 0 DEAERO COCC[N@H+](C)CCNC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000106915763 402222473 /nfs/dbraw/zinc/22/24/73/402222473.db2.gz WVQTZHPDOHXDTF-UHFFFAOYSA-N 1 0 321.204 2.007 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc3c(s2)CCOC3)[C@@H](C)C1 ZINC000155647900 402264092 /nfs/dbraw/zinc/26/40/92/402264092.db2.gz YQODEPWLXLYBGQ-AAEUAGOBSA-N 1 0 308.447 2.279 10 0 DEAERO Cc1cc(C)n2c(C[NH2+]C[C@@H](c3ccco3)N(C)C)cnc2n1 ZINC000155645870 402264199 /nfs/dbraw/zinc/26/41/99/402264199.db2.gz NDKSCEKIJUKQLO-HNNXBMFYSA-N 1 0 313.405 2.332 10 0 DEAERO O=C(CCOC[C@@H]1CCCO1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107531021 402234626 /nfs/dbraw/zinc/23/46/26/402234626.db2.gz HJSGILYZLHHBNH-SJORKVTESA-N 1 0 324.465 2.049 10 0 DEAERO Cc1noc2nc(C)cc(C(=O)N3[C@H](C)C[N@@H+](C)C[C@@H]3C)c12 ZINC000155028333 402241697 /nfs/dbraw/zinc/24/16/97/402241697.db2.gz HCRMNLYCZSAURL-PHIMTYICSA-N 1 0 302.378 2.004 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]1)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000155127014 402246074 /nfs/dbraw/zinc/24/60/74/402246074.db2.gz LUDSZRIZOBSYSD-CQSZACIVSA-N 1 0 317.364 2.282 10 0 DEAERO Cc1csc([C@H](C)NC(=O)N2CCC[N@@H+](C3CC3)CC2)n1 ZINC000069828849 402246644 /nfs/dbraw/zinc/24/66/44/402246644.db2.gz ZJPXCOGSMIEBOJ-LBPRGKRZSA-N 1 0 308.451 2.392 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2coc(-c3cccc(F)c3)n2)CCO1 ZINC000069969666 402252882 /nfs/dbraw/zinc/25/28/82/402252882.db2.gz MBACVYBESRUKMJ-INIZCTEOSA-N 1 0 319.380 2.243 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000155505408 402258791 /nfs/dbraw/zinc/25/87/91/402258791.db2.gz LAHZXDZLZRKKFF-DOTOQJQBSA-N 1 0 315.417 2.201 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccccc1C(F)(F)F ZINC000104867295 402205308 /nfs/dbraw/zinc/20/53/08/402205308.db2.gz YHACFUWSICIOKN-LBPRGKRZSA-N 1 0 300.324 2.458 10 0 DEAERO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N(CC(C)C)C3CC3)C2)c1 ZINC000105901449 402210568 /nfs/dbraw/zinc/21/05/68/402210568.db2.gz JDHSRJGIAXOBOV-KRWDZBQOSA-N 1 0 318.465 2.475 10 0 DEAERO COc1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1Cl ZINC000125083017 402212140 /nfs/dbraw/zinc/21/21/40/402212140.db2.gz LNLFYLVIMBYTCO-LBPRGKRZSA-N 1 0 311.813 2.194 10 0 DEAERO CN1CCO[C@H](CNC(=O)C(C)(C)Cc2cccc(Cl)c2)C1 ZINC000176592380 402321877 /nfs/dbraw/zinc/32/18/77/402321877.db2.gz HMYLUKJFMHOBLF-OAHLLOKOSA-N 1 0 324.852 2.356 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000155744261 402265966 /nfs/dbraw/zinc/26/59/66/402265966.db2.gz IRSNKCGLAFMIAC-CXAGYDPISA-N 1 0 320.433 2.486 10 0 DEAERO CC(C)[C@H](C)NC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109391464 402271908 /nfs/dbraw/zinc/27/19/08/402271908.db2.gz FKTRZPWCOXALFZ-HNNXBMFYSA-N 1 0 321.469 2.033 10 0 DEAERO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)sc1C ZINC000071330426 402272836 /nfs/dbraw/zinc/27/28/36/402272836.db2.gz LHYGYTNEDNDSMZ-LBPRGKRZSA-N 1 0 302.465 2.128 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000176627138 402324821 /nfs/dbraw/zinc/32/48/21/402324821.db2.gz WMQMOHYZIBRNKE-MRXNPFEDSA-N 1 0 322.474 2.323 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000176403826 402306666 /nfs/dbraw/zinc/30/66/66/402306666.db2.gz DLICSHLOXIIFOD-INIZCTEOSA-N 1 0 321.469 2.097 10 0 DEAERO CCOc1cccnc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000176491177 402314169 /nfs/dbraw/zinc/31/41/69/402314169.db2.gz AALMMCANQZFQDP-HNNXBMFYSA-N 1 0 317.433 2.428 10 0 DEAERO Cn1cc(-c2cc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)on2)cn1 ZINC000185027890 402318028 /nfs/dbraw/zinc/31/80/28/402318028.db2.gz BHDNDNNIHATEFV-WBMJQRKESA-N 1 0 302.378 2.076 10 0 DEAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ncncc1Cl ZINC000176551061 402318706 /nfs/dbraw/zinc/31/87/06/402318706.db2.gz ZTYYCLGWUXUVBU-GRYCIOLGSA-N 1 0 310.829 2.226 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C/c2ccc(OC)c(O)c2)C1 ZINC000185323691 402343232 /nfs/dbraw/zinc/34/32/32/402343232.db2.gz KDVUHNRZYAESCR-KGXGESDWSA-N 1 0 304.390 2.015 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2ccsc2)CC1 ZINC000176861618 402343826 /nfs/dbraw/zinc/34/38/26/402343826.db2.gz BSNNGYZHISWOIG-CQSZACIVSA-N 1 0 324.490 2.232 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(F)c1C ZINC000176892126 402347106 /nfs/dbraw/zinc/34/71/06/402347106.db2.gz BPJZGYYRGZHUON-CYBMUJFWSA-N 1 0 321.396 2.015 10 0 DEAERO COCCN1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1=O ZINC000185366411 402347539 /nfs/dbraw/zinc/34/75/39/402347539.db2.gz VNHPQPVXORENLB-UHFFFAOYSA-N 1 0 313.401 2.147 10 0 DEAERO CCO[C@H](CC[NH+](C)C)CNC(=O)CCc1ccc(C)cc1 ZINC000176907424 402348659 /nfs/dbraw/zinc/34/86/59/402348659.db2.gz NTDVMZZLOKTBNM-QGZVFWFLSA-N 1 0 306.450 2.401 10 0 DEAERO C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C1CCCC1 ZINC000185393282 402349247 /nfs/dbraw/zinc/34/92/47/402349247.db2.gz ZUJHVYUPPJOTBN-OAHLLOKOSA-N 1 0 324.513 2.280 10 0 DEAERO CCC[C@@H](C(=O)Nc1nc2ccccc2n1CCOC)[NH+](C)C ZINC000185424023 402351212 /nfs/dbraw/zinc/35/12/12/402351212.db2.gz VZIYADYJTINVSW-HNNXBMFYSA-N 1 0 318.421 2.352 10 0 DEAERO COC(=O)c1ccc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)o1 ZINC000185443267 402352360 /nfs/dbraw/zinc/35/23/60/402352360.db2.gz OAJKUQWCYGDRHP-GFCCVEGCSA-N 1 0 308.378 2.061 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(Br)c1 ZINC000231297173 402353688 /nfs/dbraw/zinc/35/36/88/402353688.db2.gz NMVRJJSVVSGAEQ-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO COc1ccc([C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000176956385 402354086 /nfs/dbraw/zinc/35/40/86/402354086.db2.gz HJCWROMCBMPLMX-MLGOLLRUSA-N 1 0 311.447 2.417 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(C[S@](C)=O)c1 ZINC000176966427 402355190 /nfs/dbraw/zinc/35/51/90/402355190.db2.gz FVQAANUDBFQCQY-ZHRRBRCNSA-N 1 0 322.474 2.121 10 0 DEAERO CCOc1cccnc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185898301 402387577 /nfs/dbraw/zinc/38/75/77/402387577.db2.gz XCIOEPPEOXANES-UHFFFAOYSA-N 1 0 305.422 2.332 10 0 DEAERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)cn1 ZINC000232149275 402356665 /nfs/dbraw/zinc/35/66/65/402356665.db2.gz FSDGWGQVKMGEEV-GFCCVEGCSA-N 1 0 309.410 2.483 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCOc1ccc(OC)cc1 ZINC000177017108 402359624 /nfs/dbraw/zinc/35/96/24/402359624.db2.gz APZOOWMJDRHDCO-OAHLLOKOSA-N 1 0 320.433 2.407 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1noc2ccccc21 ZINC000177019526 402360185 /nfs/dbraw/zinc/36/01/85/402360185.db2.gz ARFAPQCINQFPJV-ZDUSSCGKSA-N 1 0 301.390 2.313 10 0 DEAERO Brc1ccc2ncc(C[NH2+][C@@H]3CCCOC3)n2c1 ZINC000236765051 402381512 /nfs/dbraw/zinc/38/15/12/402381512.db2.gz DGQXHQSPLMCIQB-LLVKDONJSA-N 1 0 310.195 2.365 10 0 DEAERO CC(C)(C)c1ccc(OCCC[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185179336 402331322 /nfs/dbraw/zinc/33/13/22/402331322.db2.gz SAAQNHUOZBTDCL-HZPDHXFCSA-N 1 0 307.434 2.181 10 0 DEAERO COCC[N@@H+]1CCN(c2ncnc3cccc(C)c32)C[C@H]1C ZINC000176807188 402339377 /nfs/dbraw/zinc/33/93/77/402339377.db2.gz PBVBKVDMCXGKGM-CQSZACIVSA-N 1 0 300.406 2.095 10 0 DEAERO CC[C@](C)(O)C[NH+]1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000161764339 402397913 /nfs/dbraw/zinc/39/79/13/402397913.db2.gz ADEXNEOGVBDQGZ-KRWDZBQOSA-N 1 0 305.422 2.306 10 0 DEAERO CC(C)CCn1cccc1CNC[C@H](O)C[NH+]1CCCCC1 ZINC000161766222 402398194 /nfs/dbraw/zinc/39/81/94/402398194.db2.gz MPDDTEHPXYTKOE-SFHVURJKSA-N 1 0 307.482 2.471 10 0 DEAERO COCCOc1cccc(CNC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000237185719 402398862 /nfs/dbraw/zinc/39/88/62/402398862.db2.gz JKRARLXBTRJLKY-UHFFFAOYSA-N 1 0 314.385 2.101 10 0 DEAERO CN(C(=O)CCOc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237204194 402399331 /nfs/dbraw/zinc/39/93/31/402399331.db2.gz OFRVLIJEXYLRAL-PBWFPOADSA-N 1 0 306.381 2.336 10 0 DEAERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3cncn3C)C2)c1 ZINC000177411690 402399723 /nfs/dbraw/zinc/39/97/23/402399723.db2.gz CXZQXLZFJXXQJB-CYBMUJFWSA-N 1 0 301.390 2.427 10 0 DEAERO COCCOCC[N@@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000177411962 402399883 /nfs/dbraw/zinc/39/98/83/402399883.db2.gz BIERZUUYETXLTF-CQSZACIVSA-N 1 0 309.406 2.156 10 0 DEAERO COCC[NH2+]CC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000237211252 402400121 /nfs/dbraw/zinc/40/01/21/402400121.db2.gz RVOHDOOUHBAPOJ-AWEZNQCLSA-N 1 0 313.401 2.162 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000163439827 402449944 /nfs/dbraw/zinc/44/99/44/402449944.db2.gz JNFFOEVKVIXLJD-ZFWWWQNUSA-N 1 0 306.406 2.177 10 0 DEAERO C[C@@H](c1cn(-c2ccccc2)nn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000177515944 402411632 /nfs/dbraw/zinc/41/16/32/402411632.db2.gz BRSVLGSTKQMFIO-HNNXBMFYSA-N 1 0 311.433 2.498 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000177535825 402413944 /nfs/dbraw/zinc/41/39/44/402413944.db2.gz OMUOEYJFHPFNOT-SWLSCSKDSA-N 1 0 322.453 2.348 10 0 DEAERO CC[C@](C)(O)C[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000162216635 402414137 /nfs/dbraw/zinc/41/41/37/402414137.db2.gz TYMVMWFLZSPTBU-KRWDZBQOSA-N 1 0 305.422 2.306 10 0 DEAERO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(C)(O)CC1 ZINC000177543565 402414205 /nfs/dbraw/zinc/41/42/05/402414205.db2.gz JMEDCGFUACXTAF-OAHLLOKOSA-N 1 0 307.434 2.397 10 0 DEAERO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(C)(O)CC1 ZINC000177543580 402414424 /nfs/dbraw/zinc/41/44/24/402414424.db2.gz JMEDCGFUACXTAF-HNNXBMFYSA-N 1 0 307.434 2.397 10 0 DEAERO COCCC1(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC000186291197 402418226 /nfs/dbraw/zinc/41/82/26/402418226.db2.gz DKUXSJRDVFYRPL-OAHLLOKOSA-N 1 0 311.470 2.319 10 0 DEAERO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)nc1 ZINC000237732020 402419672 /nfs/dbraw/zinc/41/96/72/402419672.db2.gz SYHVQDNKGVXTHH-PMPSAXMXSA-N 1 0 316.449 2.229 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)C12CCOCC2 ZINC000186355953 402424568 /nfs/dbraw/zinc/42/45/68/402424568.db2.gz VRAPECFSUWJTGQ-KBPBESRZSA-N 1 0 313.438 2.282 10 0 DEAERO Cc1cc2c(cc1C)O[C@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)C2 ZINC000237895892 402425112 /nfs/dbraw/zinc/42/51/12/402425112.db2.gz XBGUTNBYGQSSTH-YOEHRIQHSA-N 1 0 302.418 2.113 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[NH2+]C(C)(C)C3)nc21 ZINC000177703718 402428493 /nfs/dbraw/zinc/42/84/93/402428493.db2.gz GAWBHFONPUPVHQ-UHFFFAOYSA-N 1 0 300.406 2.014 10 0 DEAERO [NH3+]CCCCCCC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000237996055 402430928 /nfs/dbraw/zinc/43/09/28/402430928.db2.gz FCHAESRLMANTFG-MRXNPFEDSA-N 1 0 317.433 2.207 10 0 DEAERO COC[C@@H](Cc1ccccc1)[NH2+]CCc1c(C)nn(C)c1C ZINC000177746183 402432037 /nfs/dbraw/zinc/43/20/37/402432037.db2.gz GMAOTAGKCDPBJW-QGZVFWFLSA-N 1 0 301.434 2.427 10 0 DEAERO Cc1cc2c(cc1C)[C@@H](C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C)CO2 ZINC000186649022 402451349 /nfs/dbraw/zinc/45/13/49/402451349.db2.gz YFOCIIVVLVYYMF-LZWOXQAQSA-N 1 0 302.418 2.330 10 0 DEAERO [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccnc(N3CCCCC3)c2)C1 ZINC000238045266 402434383 /nfs/dbraw/zinc/43/43/83/402434383.db2.gz VAATZUUPYJJHMB-HOTGVXAUSA-N 1 0 316.449 2.206 10 0 DEAERO CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000186475579 402434695 /nfs/dbraw/zinc/43/46/95/402434695.db2.gz WDFQINPZPHETLP-HNNXBMFYSA-N 1 0 318.417 2.341 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000162991310 402438635 /nfs/dbraw/zinc/43/86/35/402438635.db2.gz CTKAKIFFEZGWFM-SJLPKXTDSA-N 1 0 323.481 2.199 10 0 DEAERO O=C(CCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)c1cccs1 ZINC000186527924 402439242 /nfs/dbraw/zinc/43/92/42/402439242.db2.gz PWVKSBPIECPBJF-LBPRGKRZSA-N 1 0 306.431 2.454 10 0 DEAERO OCC[C@@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccco1 ZINC000186536580 402440392 /nfs/dbraw/zinc/44/03/92/402440392.db2.gz BOBSFABHIZUEAF-QGZVFWFLSA-N 1 0 315.417 2.352 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CCN1C ZINC000177852692 402441413 /nfs/dbraw/zinc/44/14/13/402441413.db2.gz FTATZEDQIBTBJI-QAPCUYQASA-N 1 0 315.461 2.364 10 0 DEAERO C[C@@H](C[N@@H+](Cc1cccc(O)c1)CC1CC1)CS(C)(=O)=O ZINC000163295137 402446124 /nfs/dbraw/zinc/44/61/24/402446124.db2.gz BBBYMRRTAZJSLS-ZDUSSCGKSA-N 1 0 311.447 2.285 10 0 DEAERO CCc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+](CC)CC)cc1F ZINC000163387877 402448713 /nfs/dbraw/zinc/44/87/13/402448713.db2.gz GWZPBONXSHOKJB-LBPRGKRZSA-N 1 0 323.412 2.173 10 0 DEAERO CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000177324936 402391329 /nfs/dbraw/zinc/39/13/29/402391329.db2.gz HCYGUBJDCPGULC-AWEZNQCLSA-N 1 0 300.406 2.295 10 0 DEAERO CCn1c2ccccc2c2cc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)ccc21 ZINC000237012982 402391534 /nfs/dbraw/zinc/39/15/34/402391534.db2.gz YZSJCYKHORQVJY-CJNGLKHVSA-N 1 0 323.396 2.476 10 0 DEAERO Cc1ccc(CCCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)s1 ZINC000177346411 402393353 /nfs/dbraw/zinc/39/33/53/402393353.db2.gz PRGZUZFKQJIOQB-ZIAGYGMSSA-N 1 0 324.490 2.293 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[NH+](C)C ZINC000161617148 402393544 /nfs/dbraw/zinc/39/35/44/402393544.db2.gz FIGXBSMSSNCZJM-AWEZNQCLSA-N 1 0 307.394 2.322 10 0 DEAERO Cc1cccc(C)c1OCC[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246116882 402511271 /nfs/dbraw/zinc/51/12/71/402511271.db2.gz KSZVYKQGEMDTEO-MSOLQXFVSA-N 1 0 318.461 2.335 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1ccc(F)cc1 ZINC000245415027 402457985 /nfs/dbraw/zinc/45/79/85/402457985.db2.gz CVYOZFJKPHXZFN-SJORKVTESA-N 1 0 319.424 2.001 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000245457408 402462462 /nfs/dbraw/zinc/46/24/62/402462462.db2.gz CCNZZQJYFRPGCG-ZBFHGGJFSA-N 1 0 319.449 2.438 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)NCCc1cccs1 ZINC000245474646 402464435 /nfs/dbraw/zinc/46/44/35/402464435.db2.gz RDGHAHJIZHTKDA-CABCVRRESA-N 1 0 323.506 2.211 10 0 DEAERO COCCC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000245545049 402469735 /nfs/dbraw/zinc/46/97/35/402469735.db2.gz LMNDBFZGLJTYCN-AEFFLSMTSA-N 1 0 318.417 2.126 10 0 DEAERO CCCn1cc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000245569187 402471603 /nfs/dbraw/zinc/47/16/03/402471603.db2.gz VYUBBKUTYFNHMX-XYJFISCASA-N 1 0 320.481 2.367 10 0 DEAERO COc1ccc2nc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@H]3C)sc2c1 ZINC000186949630 402472991 /nfs/dbraw/zinc/47/29/91/402472991.db2.gz JLJHAWLYWDPYEO-MNOVXSKESA-N 1 0 319.430 2.391 10 0 DEAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245644080 402476543 /nfs/dbraw/zinc/47/65/43/402476543.db2.gz BSNHTSRQCAANOL-KSYCFECVSA-N 1 0 324.371 2.251 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178260860 402477109 /nfs/dbraw/zinc/47/71/09/402477109.db2.gz UJXPYOHURFQYGG-PNBKFKSVSA-N 1 0 308.466 2.380 10 0 DEAERO C[C@H](Cc1ccc(O)cc1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245660236 402477359 /nfs/dbraw/zinc/47/73/59/402477359.db2.gz DAKUDFPRCLMYSK-IIAWOOMASA-N 1 0 319.449 2.447 10 0 DEAERO COC(=O)c1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1F ZINC000178268655 402478243 /nfs/dbraw/zinc/47/82/43/402478243.db2.gz IFWWHIFFMDQIJW-UHFFFAOYSA-N 1 0 323.368 2.170 10 0 DEAERO Cn1c2ccccc2nc1[C@H](NC(=O)CC[NH3+])c1ccccc1 ZINC000166091779 402481319 /nfs/dbraw/zinc/48/13/19/402481319.db2.gz FVVDEVXLYMXSSC-QGZVFWFLSA-N 1 0 308.385 2.128 10 0 DEAERO CC(C)[C@@](C)(O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000187088185 402482404 /nfs/dbraw/zinc/48/24/04/402482404.db2.gz BKOFOZUOCFECMJ-SFHVURJKSA-N 1 0 318.417 2.408 10 0 DEAERO CSCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245725770 402483548 /nfs/dbraw/zinc/48/35/48/402483548.db2.gz XFTIODBJFJONIF-TZMCWYRMSA-N 1 0 300.374 2.189 10 0 DEAERO Cn1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(-c2cccnc2)n1 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2.113 10 0 DEAERO CC[N@H+](C)[C@H](C(=O)N1CCN2CCCC[C@H]2C1)c1ccccc1 ZINC000245869455 402492604 /nfs/dbraw/zinc/49/26/04/402492604.db2.gz VQTAGBCKMBXNFC-ROUUACIJSA-N 1 0 315.461 2.376 10 0 DEAERO Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CCCCCC[NH3+])C2)n1 ZINC000168184406 402495067 /nfs/dbraw/zinc/49/50/67/402495067.db2.gz JYLULRBLAHYIPS-MRXNPFEDSA-N 1 0 321.469 2.043 10 0 DEAERO C[C@@H](O)[C@@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000168441164 402496711 /nfs/dbraw/zinc/49/67/11/402496711.db2.gz CLMQIYZXXQXMEI-VXGBXAGGSA-N 1 0 307.419 2.433 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(Cl)nc2)C1 ZINC000245923853 402497872 /nfs/dbraw/zinc/49/78/72/402497872.db2.gz HJGWUZLMYJPNPF-KBPBESRZSA-N 1 0 322.840 2.361 10 0 DEAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1 ZINC000187401059 402497983 /nfs/dbraw/zinc/49/79/83/402497983.db2.gz XUODWDDUBYTBEJ-GFCCVEGCSA-N 1 0 319.430 2.197 10 0 DEAERO CC1(C)[C@H]([NH2+]CCNC(=O)c2ccccc2F)[C@@H]2CCCO[C@H]21 ZINC000245945548 402499641 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/nfs/dbraw/zinc/53/32/44/402533244.db2.gz VFQJGQYLPHSPJA-DOTOQJQBSA-N 1 0 318.417 2.021 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000170863120 402534330 /nfs/dbraw/zinc/53/43/30/402534330.db2.gz WCSQXVDLSJPWDP-ZDUSSCGKSA-N 1 0 311.223 2.154 10 0 DEAERO CCOCCC1(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246568070 402537080 /nfs/dbraw/zinc/53/70/80/402537080.db2.gz MCYZTMPPKASMEV-CABCVRRESA-N 1 0 309.454 2.071 10 0 DEAERO O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N1CCC([NH+]2CCCC2)CC1 ZINC000246609055 402538125 /nfs/dbraw/zinc/53/81/25/402538125.db2.gz UNQBUOXSUPDBJA-BBWFWOEESA-N 1 0 321.465 2.214 10 0 DEAERO Cn1cc([C@@H]2CCCN2C(=O)NCCCC[NH+]2CCCC2)cn1 ZINC000170893416 402538753 /nfs/dbraw/zinc/53/87/53/402538753.db2.gz ORCVGFRHBLNEQY-INIZCTEOSA-N 1 0 319.453 2.143 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2Cl)C[C@H]1C ZINC000246661923 402540310 /nfs/dbraw/zinc/54/03/10/402540310.db2.gz HGGXBZWHGACREP-NCRJZKAISA-N 1 0 322.836 2.267 10 0 DEAERO COC(=O)c1cc(F)ccc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000170908250 402540677 /nfs/dbraw/zinc/54/06/77/402540677.db2.gz WCLFYIFLOLLVBO-UHFFFAOYSA-N 1 0 306.381 2.282 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@@H+]1C ZINC000246691847 402540929 /nfs/dbraw/zinc/54/09/29/402540929.db2.gz MXGXKRHEUPLWHK-OXGONZEZSA-N 1 0 321.465 2.068 10 0 DEAERO C[C@@H]1CC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H](C)C1 ZINC000246696490 402541085 /nfs/dbraw/zinc/54/10/85/402541085.db2.gz MQFJESNCLLIRCO-KGLIPLIRSA-N 1 0 315.417 2.340 10 0 DEAERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)NCc1ccc(F)cc1 ZINC000247970765 402579294 /nfs/dbraw/zinc/57/92/94/402579294.db2.gz JEWHQAPBWQJNOM-YJBOKZPZSA-N 1 0 320.408 2.069 10 0 DEAERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)NCc1ccc(F)cc1 ZINC000247970759 402579684 /nfs/dbraw/zinc/57/96/84/402579684.db2.gz JEWHQAPBWQJNOM-MAUKXSAKSA-N 1 0 320.408 2.069 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000171356351 402580305 /nfs/dbraw/zinc/58/03/05/402580305.db2.gz URAKPWJQJWAQQM-HNNXBMFYSA-N 1 0 307.413 2.497 10 0 DEAERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)N1CCc2ccccc21 ZINC000248040331 402580837 /nfs/dbraw/zinc/58/08/37/402580837.db2.gz SSTXGWQXGGBACK-QFBILLFUSA-N 1 0 314.429 2.203 10 0 DEAERO CC(C)[C@H](C)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000179317768 402584646 /nfs/dbraw/zinc/58/46/46/402584646.db2.gz CNEYDJIWHARUTB-XIRDDKMYSA-N 1 0 304.434 2.030 10 0 DEAERO Cn1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c(C(C)(C)C)n1 ZINC000179466370 402590967 /nfs/dbraw/zinc/59/09/67/402590967.db2.gz FEFLAEINXWRROH-UHFFFAOYSA-N 1 0 304.438 2.028 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000248574840 402596831 /nfs/dbraw/zinc/59/68/31/402596831.db2.gz NCQLKZPLPSRXIM-BZUAXINKSA-N 1 0 311.470 2.223 10 0 DEAERO CO[C@@H](C)CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000190407726 402598486 /nfs/dbraw/zinc/59/84/86/402598486.db2.gz XXXVGZXLSCWGHE-DOTOQJQBSA-N 1 0 319.449 2.375 10 0 DEAERO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1nccn1C ZINC000179741983 402599639 /nfs/dbraw/zinc/59/96/39/402599639.db2.gz SJBWSTFHBSBOTR-ZDUSSCGKSA-N 1 0 315.421 2.461 10 0 DEAERO CC(C)c1cccc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000248691025 402603893 /nfs/dbraw/zinc/60/38/93/402603893.db2.gz XVZPPOWDEJBRGM-BPUTZDHNSA-N 1 0 308.447 2.168 10 0 DEAERO CCOC1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000171665425 402607280 /nfs/dbraw/zinc/60/72/80/402607280.db2.gz WYLSGQIPSOHNLG-KRWDZBQOSA-N 1 0 304.434 2.187 10 0 DEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cccc4nccn43)C2)n1 ZINC000180120582 402607876 /nfs/dbraw/zinc/60/78/76/402607876.db2.gz ACSSTYYHFKEZJD-INIZCTEOSA-N 1 0 324.432 2.455 10 0 DEAERO CN1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000180147889 402608206 /nfs/dbraw/zinc/60/82/06/402608206.db2.gz HZZLZZMFSVSIRV-FBVQUNGASA-N 1 0 313.445 2.002 10 0 DEAERO CN(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn1 ZINC000180190860 402609799 /nfs/dbraw/zinc/60/97/99/402609799.db2.gz DBJFHEMNIWARCR-AEFFLSMTSA-N 1 0 324.428 2.323 10 0 DEAERO C[N@H+](C[C@@H]1CCCC[C@H]1O)[C@@H]1CCc2ccccc2NC1=O ZINC000248845988 402611192 /nfs/dbraw/zinc/61/11/92/402611192.db2.gz NDVKGIGIBPTYCH-USXIJHARSA-N 1 0 302.418 2.423 10 0 DEAERO C[C@@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1cccc(O)c1 ZINC000248862949 402611667 /nfs/dbraw/zinc/61/16/67/402611667.db2.gz XRKJRLUAKDYOCF-NFAWXSAZSA-N 1 0 303.406 2.331 10 0 DEAERO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ncc[nH]3)CCN2C2CC2)c1 ZINC000180377382 402614184 /nfs/dbraw/zinc/61/41/84/402614184.db2.gz LGJUKEIZNVRCMJ-WMZOPIPTSA-N 1 0 312.417 2.486 10 0 DEAERO COc1ccc(C[C@@H](C)[NH2+]CC2(C)OCCCO2)cc1OC ZINC000190649192 402615855 /nfs/dbraw/zinc/61/58/55/402615855.db2.gz WLXNKAJLWZHTGB-CYBMUJFWSA-N 1 0 309.406 2.378 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000249394930 402628341 /nfs/dbraw/zinc/62/83/41/402628341.db2.gz ZNZJXWWYDQLPLQ-UONOGXRCSA-N 1 0 312.454 2.297 10 0 DEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000249085659 402620058 /nfs/dbraw/zinc/62/00/58/402620058.db2.gz ISQWMQNVPLGWMT-TZMCWYRMSA-N 1 0 319.474 2.418 10 0 DEAERO C[C@H]([NH2+]CC(=O)NCc1ccco1)c1cccc(-n2ccnc2)c1 ZINC000180659306 402622368 /nfs/dbraw/zinc/62/23/68/402622368.db2.gz ULRXETIXQLSRJI-AWEZNQCLSA-N 1 0 324.384 2.432 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180666334 402622606 /nfs/dbraw/zinc/62/26/06/402622606.db2.gz MVZYDXDTZKJNLX-RHSMWYFYSA-N 1 0 303.406 2.309 10 0 DEAERO CCOC1CC(CCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000190781857 402622782 /nfs/dbraw/zinc/62/27/82/402622782.db2.gz VAUMAHGSWWAQEA-ABHNRTSZSA-N 1 0 318.461 2.481 10 0 DEAERO COC(=O)c1ccc(C)c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171807254 402624085 /nfs/dbraw/zinc/62/40/85/402624085.db2.gz XSVJSLQHBOBGMH-AWEZNQCLSA-N 1 0 317.389 2.094 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1ccncc1OC ZINC000249281717 402624787 /nfs/dbraw/zinc/62/47/87/402624787.db2.gz NRDVTDWZCYHWEL-ZIAGYGMSSA-N 1 0 320.437 2.325 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000249281920 402625064 /nfs/dbraw/zinc/62/50/64/402625064.db2.gz NUGAGYZWHXFKDV-UONOGXRCSA-N 1 0 320.437 2.325 10 0 DEAERO CCCCC[N@H+](CCO)CC(=O)Nc1cc(F)cc(F)c1 ZINC000171859507 402629293 /nfs/dbraw/zinc/62/92/93/402629293.db2.gz AVSJCDHYFFXNTB-UHFFFAOYSA-N 1 0 300.349 2.388 10 0 DEAERO CC[C@@]1(CO)CCCN1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000190986671 402634995 /nfs/dbraw/zinc/63/49/95/402634995.db2.gz CRJJUYCYUUIYLJ-WBVHZDCISA-N 1 0 311.470 2.053 10 0 DEAERO Cc1cc2cc(NC(=O)N3CCO[C@@H](C[NH+](C)C)C3)ccc2[nH]1 ZINC000181203824 402637978 /nfs/dbraw/zinc/63/79/78/402637978.db2.gz VXMZHLRKDWTVFW-HNNXBMFYSA-N 1 0 316.405 2.271 10 0 DEAERO CC[C@@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCO1 ZINC000172077077 402639749 /nfs/dbraw/zinc/63/97/49/402639749.db2.gz UWGDLKVPUWLQSY-OAHLLOKOSA-N 1 0 323.412 2.208 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)N[C@@H](c2ccccc2)C2CC2)CCO1 ZINC000172118654 402641581 /nfs/dbraw/zinc/64/15/81/402641581.db2.gz FHMAXBSIQQNWRW-IRXDYDNUSA-N 1 0 317.433 2.110 10 0 DEAERO Cc1c([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cnn1C(C)(C)C ZINC000191145274 402645307 /nfs/dbraw/zinc/64/53/07/402645307.db2.gz XFTBMIROGLKBQX-KBPBESRZSA-N 1 0 308.470 2.318 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)Oc2ccccc2)C1 ZINC000172224084 402645671 /nfs/dbraw/zinc/64/56/71/402645671.db2.gz IINSANSEVXQTOC-HUUCEWRRSA-N 1 0 305.422 2.237 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000172473278 402658067 /nfs/dbraw/zinc/65/80/67/402658067.db2.gz RFHTZFIQPXHFOJ-GJZGRUSLSA-N 1 0 323.481 2.460 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000172473273 402658141 /nfs/dbraw/zinc/65/81/41/402658141.db2.gz RFHTZFIQPXHFOJ-CABCVRRESA-N 1 0 323.481 2.460 10 0 DEAERO C[C@@H](NC(=O)[C@@H](C)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000172347179 402651878 /nfs/dbraw/zinc/65/18/78/402651878.db2.gz SLBYRUJKYZOTBH-HZPDHXFCSA-N 1 0 315.461 2.422 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC[C@H]1C ZINC000252015162 402652332 /nfs/dbraw/zinc/65/23/32/402652332.db2.gz YCHCWOIULLXENA-KBRIMQKVSA-N 1 0 302.418 2.363 10 0 DEAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCOc1ccccc1F ZINC000191232550 402653177 /nfs/dbraw/zinc/65/31/77/402653177.db2.gz VCZBWBGJUXXUKP-IOASZLSFSA-N 1 0 307.365 2.478 10 0 DEAERO Oc1cccc(N2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)c1 ZINC000191270934 402656105 /nfs/dbraw/zinc/65/61/05/402656105.db2.gz MNGRJLYITUWWEU-SFHVURJKSA-N 1 0 304.434 2.455 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC(F)(F)C(F)F ZINC000192024284 402705992 /nfs/dbraw/zinc/70/59/92/402705992.db2.gz DHBJOMBIWVVVDF-LLVKDONJSA-N 1 0 306.303 2.176 10 0 DEAERO CCC[C@@H](C)C[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000182657636 402706889 /nfs/dbraw/zinc/70/68/89/402706889.db2.gz BZIXIWRZEVWNKS-GFCCVEGCSA-N 1 0 304.481 2.394 10 0 DEAERO C[C@@H]1CN(Cc2cccc(CNCc3cocn3)c2)CCO1 ZINC000192296010 402721404 /nfs/dbraw/zinc/72/14/04/402721404.db2.gz QLMTVQWOZKEJJA-CQSZACIVSA-N 1 0 301.390 2.185 10 0 DEAERO Clc1ccccc1OCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173945287 402721395 /nfs/dbraw/zinc/72/13/95/402721395.db2.gz CCARIJUNAJSWFU-CQSZACIVSA-N 1 0 310.825 2.125 10 0 DEAERO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@H]2c2ccco2)n1 ZINC000173945474 402721412 /nfs/dbraw/zinc/72/14/12/402721412.db2.gz FANDYZCETSCOGJ-ZDUSSCGKSA-N 1 0 317.393 2.407 10 0 DEAERO C[C@@H]1COCC[C@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000192126439 402712924 /nfs/dbraw/zinc/71/29/24/402712924.db2.gz NHWHSZODJPDUKB-CZUORRHYSA-N 1 0 316.401 2.077 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(C)c1 ZINC000173827331 402714652 /nfs/dbraw/zinc/71/46/52/402714652.db2.gz SDFIIZGZZWAKPF-HUUCEWRRSA-N 1 0 308.447 2.242 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(F)c1 ZINC000173886924 402716745 /nfs/dbraw/zinc/71/67/45/402716745.db2.gz JDNSYWXSAOGQGM-GXTWGEPZSA-N 1 0 314.426 2.141 10 0 DEAERO C[C@@H]1CCC[C@@H](C)N1C(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261783849 402717178 /nfs/dbraw/zinc/71/71/78/402717178.db2.gz PPLYBHYAONDCFF-IAGOWNOFSA-N 1 0 317.477 2.279 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000173887069 402717703 /nfs/dbraw/zinc/71/77/03/402717703.db2.gz KEUDPLFNDSXABD-JSGCOSHPSA-N 1 0 314.426 2.141 10 0 DEAERO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C1([NH3+])CCOCC1 ZINC000261849490 402718283 /nfs/dbraw/zinc/71/82/83/402718283.db2.gz MEYBBIOTEFMYAX-OCCSQVGLSA-N 1 0 306.381 2.038 10 0 DEAERO Cc1nnc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)n1C1CC1 ZINC000252734002 402660544 /nfs/dbraw/zinc/66/05/44/402660544.db2.gz XTMFHOYQGJLLGJ-KRWDZBQOSA-N 1 0 311.433 2.410 10 0 DEAERO Cc1c(Cl)cccc1OCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172515767 402660551 /nfs/dbraw/zinc/66/05/51/402660551.db2.gz KAAIQKIGRAOBDP-CYBMUJFWSA-N 1 0 308.809 2.334 10 0 DEAERO CCC1(CC)[C@H]([NH2+][C@@H]2CCCn3nc(COC)nc32)C[C@H]1OC ZINC000181904191 402660747 /nfs/dbraw/zinc/66/07/47/402660747.db2.gz BLYOBMKKZJDJMZ-MGPQQGTHSA-N 1 0 322.453 2.443 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C)s1 ZINC000252873046 402660999 /nfs/dbraw/zinc/66/09/99/402660999.db2.gz ULWSTDBHSWTJFS-RWMBFGLXSA-N 1 0 314.476 2.113 10 0 DEAERO Cc1ncsc1CC[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000172535439 402661787 /nfs/dbraw/zinc/66/17/87/402661787.db2.gz NPGOSPQSTNEENL-AWEZNQCLSA-N 1 0 317.462 2.385 10 0 DEAERO Cc1ccsc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000253226888 402661874 /nfs/dbraw/zinc/66/18/74/402661874.db2.gz JOFYEUQCIAGWQD-NORZTCDRSA-N 1 0 308.447 2.205 10 0 DEAERO CO[C@@H](C)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000182028629 402664901 /nfs/dbraw/zinc/66/49/01/402664901.db2.gz XGHCJTCJIHAQLO-NSHDSACASA-N 1 0 314.227 2.001 10 0 DEAERO COc1cc(Br)ccc1C[N@H+](CCO)C1CC1 ZINC000182082525 402666814 /nfs/dbraw/zinc/66/68/14/402666814.db2.gz UAIFUMKERVSDHW-UHFFFAOYSA-N 1 0 300.196 2.414 10 0 DEAERO CN(CC1([NH+](C)C)CCC1)C(=O)c1snnc1C(C)(C)C ZINC000191485874 402673700 /nfs/dbraw/zinc/67/37/00/402673700.db2.gz LLWSVIIGPCFODU-UHFFFAOYSA-N 1 0 310.467 2.392 10 0 DEAERO COc1ccc(/C=C\C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000254984994 402674175 /nfs/dbraw/zinc/67/41/75/402674175.db2.gz INNYAUSKAARTAZ-DDJMYBDESA-N 1 0 316.401 2.024 10 0 DEAERO Cc1nc(C)c(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)s1 ZINC000172797185 402675847 /nfs/dbraw/zinc/67/58/47/402675847.db2.gz IZKWCWOVUJQQNW-MRXNPFEDSA-N 1 0 322.522 2.362 10 0 DEAERO O=C1O[C@H](CN2CCC[N@@H+](C3CC3)CC2)CN1c1ccccc1 ZINC000172810833 402677388 /nfs/dbraw/zinc/67/73/88/402677388.db2.gz DLZKFBDFXFAKQT-QGZVFWFLSA-N 1 0 315.417 2.182 10 0 DEAERO C[C@H]1C[C@@H](N(C)Cc2nccn2CC(F)(F)F)CC[N@@H+]1C ZINC000172842833 402678030 /nfs/dbraw/zinc/67/80/30/402678030.db2.gz MXCULEMDKIBTTL-RYUDHWBXSA-N 1 0 304.360 2.360 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182330979 402681622 /nfs/dbraw/zinc/68/16/22/402681622.db2.gz BMXRLUPEUQQYHT-DZGCQCFKSA-N 1 0 307.442 2.377 10 0 DEAERO CCOc1cc2c(cc1/C=C\C(=O)NCC[C@H](C)[NH3+])O[C@H](C)C2 ZINC000255226145 402682213 /nfs/dbraw/zinc/68/22/13/402682213.db2.gz BNQKKKVVXIDNML-AGFGORMFSA-N 1 0 318.417 2.275 10 0 DEAERO O=C(CC/C=C\c1ccccc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000255378851 402686246 /nfs/dbraw/zinc/68/62/46/402686246.db2.gz DFKVDPXYPRPRBK-YYLWEKDPSA-N 1 0 316.445 2.443 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2ccc(C)s2)CC[N@@H+]1C[C@@H](C)O ZINC000173271791 402690054 /nfs/dbraw/zinc/69/00/54/402690054.db2.gz CMYNCFNZQQXPGP-YPMHNXCESA-N 1 0 311.451 2.365 10 0 DEAERO C/C=C\c1ccc(OCC(=O)N2CC[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000255625371 402692984 /nfs/dbraw/zinc/69/29/84/402692984.db2.gz WPISYVFWEHUHFL-IYKSTZQJSA-N 1 0 318.417 2.270 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ncc(F)cc1F ZINC000191957552 402700985 /nfs/dbraw/zinc/70/09/85/402700985.db2.gz WZIDLBCNRSYYQW-CQSZACIVSA-N 1 0 319.355 2.263 10 0 DEAERO Cc1cnc(CN2CCC(N(C)CC(=O)OC(C)(C)C)CC2)o1 ZINC000191986739 402702771 /nfs/dbraw/zinc/70/27/71/402702771.db2.gz ANRWHWAZZVCGGC-UHFFFAOYSA-N 1 0 323.437 2.221 10 0 DEAERO COC(=O)c1ccsc1N1CC[C@@H]([NH2+][C@@H](C)C(C)C)C1=O ZINC000174054903 402725340 /nfs/dbraw/zinc/72/53/40/402725340.db2.gz WOJDHWVMZFALAP-CMPLNLGQSA-N 1 0 310.419 2.274 10 0 DEAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NCc1cccs1 ZINC000182908605 402726419 /nfs/dbraw/zinc/72/64/19/402726419.db2.gz FOHGYJXLPPBZQC-SWLSCSKDSA-N 1 0 304.415 2.076 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2Oc3ccccc3[C@H]2C)C1 ZINC000174121201 402727533 /nfs/dbraw/zinc/72/75/33/402727533.db2.gz MOWDZOQUGWCBPL-CKEIUWERSA-N 1 0 302.418 2.494 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)o1 ZINC000262782682 402731641 /nfs/dbraw/zinc/73/16/41/402731641.db2.gz NMMLNUAJYBARMR-STQMWFEESA-N 1 0 302.378 2.200 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)[C@H]1CCCO1 ZINC000183087048 402737704 /nfs/dbraw/zinc/73/77/04/402737704.db2.gz WGLGVOSXLWHIEN-GXTWGEPZSA-N 1 0 306.431 2.282 10 0 DEAERO CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000183114461 402739828 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DEAERO C[C@H]1COCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000194353668 402793741 /nfs/dbraw/zinc/79/37/41/402793741.db2.gz KIRTZJLIIVNYJU-WMLDXEAASA-N 1 0 322.424 2.389 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NCc1ccc(C)cc1 ZINC000175344293 402799131 /nfs/dbraw/zinc/79/91/31/402799131.db2.gz LMVKOWWXDFWUDY-QGZVFWFLSA-N 1 0 303.450 2.027 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183811117 402799684 /nfs/dbraw/zinc/79/96/84/402799684.db2.gz BSMJSQDFTCJDIK-CQSZACIVSA-N 1 0 313.401 2.483 10 0 DEAERO COc1cccc([C@@H](C)CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000175385290 402801912 /nfs/dbraw/zinc/80/19/12/402801912.db2.gz SGFUXVNEYHYBBO-GOEBONIOSA-N 1 0 302.418 2.495 10 0 DEAERO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183870499 402802346 /nfs/dbraw/zinc/80/23/46/402802346.db2.gz OZHZAOGVIJPYQW-HNNXBMFYSA-N 1 0 318.465 2.287 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)Cc1ccc(F)cc1 ZINC000175399676 402802971 /nfs/dbraw/zinc/80/29/71/402802971.db2.gz 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CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2COC)C1 ZINC000194144694 402785431 /nfs/dbraw/zinc/78/54/31/402785431.db2.gz PCOBJJARMCUTOA-INIZCTEOSA-N 1 0 305.422 2.117 10 0 DEAERO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1cccc(C(C)C)c1)C(C)C ZINC000183662391 402786596 /nfs/dbraw/zinc/78/65/96/402786596.db2.gz OSORJOGVHJRAOR-INIZCTEOSA-N 1 0 305.422 2.109 10 0 DEAERO CNC(=O)[C@H]([NH2+]Cc1ccc2oc(C(=O)OC)cc2c1)C(C)C ZINC000183671634 402787428 /nfs/dbraw/zinc/78/74/28/402787428.db2.gz VOIQRKBKBDWAIJ-OAHLLOKOSA-N 1 0 318.373 2.080 10 0 DEAERO CC(C)COC[C@@H](O)CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195404097 402844805 /nfs/dbraw/zinc/84/48/05/402844805.db2.gz HMELCYKRNKJHMP-UONOGXRCSA-N 1 0 311.426 2.363 10 0 DEAERO CCCC[C@@H](CCC)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000175988655 402846329 /nfs/dbraw/zinc/84/63/29/402846329.db2.gz YVGBOFGHORFNBC-CVEARBPZSA-N 1 0 313.486 2.491 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNc2ccc(C(=O)OC)c(OC)n2)C1 ZINC000184507652 402847955 /nfs/dbraw/zinc/84/79/55/402847955.db2.gz FDVUDUVQJAVVPY-GFCCVEGCSA-N 1 0 307.394 2.021 10 0 DEAERO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504854 402847987 /nfs/dbraw/zinc/84/79/87/402847987.db2.gz YTYCLCBMQFPUHZ-CQSZACIVSA-N 1 0 306.454 2.150 10 0 DEAERO O=C(NC[C@@H]1CCCC[C@@H]1O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176024539 402848674 /nfs/dbraw/zinc/84/86/74/402848674.db2.gz YYWYIUBTOGNVJB-YOEHRIQHSA-N 1 0 323.481 2.244 10 0 DEAERO Cc1nc(C[C@H]2CCC[N@H+](C[C@H](O)c3ccccc3)C2)no1 ZINC000195518029 402849233 /nfs/dbraw/zinc/84/92/33/402849233.db2.gz LBBZJJGHHZJKPL-ZBFHGGJFSA-N 1 0 301.390 2.366 10 0 DEAERO CCc1nnc(CN2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1C ZINC000195516358 402849506 /nfs/dbraw/zinc/84/95/06/402849506.db2.gz OUUCJRJAONFYCX-AWEZNQCLSA-N 1 0 314.437 2.015 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(c2ncnc3cc(Cl)ccc32)C[C@@H]1C ZINC000264353952 402870520 /nfs/dbraw/zinc/87/05/20/402870520.db2.gz STGBAFBBYNQXQY-RYUDHWBXSA-N 1 0 320.824 2.175 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2CC)C12CCOCC2 ZINC000248907275 286283585 /nfs/dbraw/zinc/28/35/85/286283585.db2.gz BJUSWLLHUFAGHO-GVDBMIGSSA-N 1 0 310.482 2.425 10 0 DEAERO c1cn(Cc2ccccc2)c(C[NH2+][C@@H]2CCc3nc[nH]c3C2)n1 ZINC000566590957 292253997 /nfs/dbraw/zinc/25/39/97/292253997.db2.gz NSVDJOFGPJBZKB-OAHLLOKOSA-N 1 0 307.401 2.302 10 0 DEAERO NC(=O)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)cc1 ZINC000281806158 403093506 /nfs/dbraw/zinc/09/35/06/403093506.db2.gz KVGDRMHXDDNSEH-IRXDYDNUSA-N 1 0 314.360 2.233 10 0 DEAERO O=C([C@@H]1CSCCS1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107531315 304377151 /nfs/dbraw/zinc/37/71/51/304377151.db2.gz FBMPDXFDVQMOBE-KBPBESRZSA-N 1 0 314.520 2.312 10 0 DEAERO Cc1cc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2C)c(C)o1 ZINC000283275856 403186179 /nfs/dbraw/zinc/18/61/79/403186179.db2.gz VPBAVVGIHGJDMQ-CQSZACIVSA-N 1 0 315.421 2.366 10 0 DEAERO C[N@@H+]1CCO[C@H]2CCN(c3ncnc4c5ccccc5oc43)C[C@@H]21 ZINC000285173569 403278999 /nfs/dbraw/zinc/27/89/99/403278999.db2.gz VBUZLRUSNBKOOE-ZFWWWQNUSA-N 1 0 324.384 2.285 10 0 DEAERO COc1ccccc1C[NH2+]C[C@H]1CCO[C@@H]1c1ccnn1C ZINC000343384840 403563478 /nfs/dbraw/zinc/56/34/78/403563478.db2.gz OVBYVJMHJDJBHC-PBHICJAKSA-N 1 0 301.390 2.296 10 0 DEAERO CNC(=O)c1cccnc1NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000301357106 403619802 /nfs/dbraw/zinc/61/98/02/403619802.db2.gz KXBQXXCGKOJHIX-OKILXGFUSA-N 1 0 304.438 2.221 10 0 DEAERO CNC(=O)c1cccnc1NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000301357104 403619866 /nfs/dbraw/zinc/61/98/66/403619866.db2.gz KXBQXXCGKOJHIX-KBPBESRZSA-N 1 0 304.438 2.221 10 0 DEAERO O=C(Nc1ccc(C(F)(F)F)nc1)N[C@@H]1CCCC[NH2+]C1 ZINC000333107296 403667380 /nfs/dbraw/zinc/66/73/80/403667380.db2.gz FVVTXUCRVVUXNY-SECBINFHSA-N 1 0 302.300 2.364 10 0 DEAERO Cc1ccnc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000333183598 403688085 /nfs/dbraw/zinc/68/80/85/403688085.db2.gz SKIUZRZAVGJQNO-HOCLYGCPSA-N 1 0 318.421 2.140 10 0 DEAERO CN(C(=O)Nc1cccc(N2CCC2=O)c1)[C@@H]1CCC[NH2+]CC1 ZINC000333249567 403706507 /nfs/dbraw/zinc/70/65/07/403706507.db2.gz CFHWAFQXEKOUIV-CQSZACIVSA-N 1 0 316.405 2.029 10 0 DEAERO CCc1cnccc1[C@H](C)NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333485378 403763849 /nfs/dbraw/zinc/76/38/49/403763849.db2.gz BWNJTDKYHAQXHQ-AWEZNQCLSA-N 1 0 316.449 2.490 10 0 DEAERO Cc1nc(-c2ccncc2)nc(N2CCC3(CC[NH2+]3)CC2)c1C ZINC000333271946 403712198 /nfs/dbraw/zinc/71/21/98/403712198.db2.gz KRLZOWIUZVDHSN-UHFFFAOYSA-N 1 0 309.417 2.488 10 0 DEAERO O=C(N[C@@H](c1cccnc1)C1CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333519269 403771664 /nfs/dbraw/zinc/77/16/64/403771664.db2.gz GLJGMJLCCIJAMH-OWCLPIDISA-N 1 0 300.406 2.069 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1nc(C2CCOCC2)cs1 ZINC000333369541 403736385 /nfs/dbraw/zinc/73/63/85/403736385.db2.gz UTZRRMBQZFFITI-PWSUYJOCSA-N 1 0 324.450 2.157 10 0 DEAERO O=C(N[C@H](c1cccnc1)C1CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333519275 403771978 /nfs/dbraw/zinc/77/19/78/403771978.db2.gz GLJGMJLCCIJAMH-PMPSAXMXSA-N 1 0 300.406 2.069 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCOC2(C1)CCCCCC2 ZINC000333658583 403805932 /nfs/dbraw/zinc/80/59/32/403805932.db2.gz LDYKWQHWQAYISR-GJZGRUSLSA-N 1 0 309.454 2.119 10 0 DEAERO O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N[C@H]1CCCC[NH2+]C1 ZINC000333698705 403821924 /nfs/dbraw/zinc/82/19/24/403821924.db2.gz DCQUIMMSEOGDHG-MISXGVKJSA-N 1 0 309.360 2.262 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000333637682 403800168 /nfs/dbraw/zinc/80/01/68/403800168.db2.gz HQKHJJTUIIUQJK-SNPRPXQTSA-N 1 0 302.422 2.172 10 0 DEAERO Cn1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)c(-c2cccs2)n1 ZINC000333885278 403896332 /nfs/dbraw/zinc/89/63/32/403896332.db2.gz XBQXSTUAKQQXDZ-UHFFFAOYSA-N 1 0 316.430 2.117 10 0 DEAERO Cc1cn[nH]c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000289464034 403975394 /nfs/dbraw/zinc/97/53/94/403975394.db2.gz IJMBBDBVNJTCJZ-CHWSQXEVSA-N 1 0 308.426 2.453 10 0 DEAERO C[NH+](C)Cc1ccccc1C(=O)N[C@H](CO)CC1CCCC1 ZINC000362996173 404038174 /nfs/dbraw/zinc/03/81/74/404038174.db2.gz ICLJQICILYNBMB-INIZCTEOSA-N 1 0 304.434 2.419 10 0 DEAERO CC(C)(C)OC(=O)CCC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369855618 404250959 /nfs/dbraw/zinc/25/09/59/404250959.db2.gz HWQJRVBTEAFJHH-QGZVFWFLSA-N 1 0 313.438 2.378 10 0 DEAERO c1cnn(-c2cccc(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)c2)c1 ZINC000352376314 404326932 /nfs/dbraw/zinc/32/69/32/404326932.db2.gz NIABZLBAGIURNY-SFHVURJKSA-N 1 0 313.401 2.254 10 0 DEAERO C[C@H](NC(=O)C1CCCCC1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000337949337 404328910 /nfs/dbraw/zinc/32/89/10/404328910.db2.gz IHIRISOZKKPQCS-YCPHGPKFSA-N 1 0 323.481 2.013 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C12CCOCC2 ZINC000329485001 404352269 /nfs/dbraw/zinc/35/22/69/404352269.db2.gz SMXPMJRLKVNPRK-YVSFHVDLSA-N 1 0 311.466 2.349 10 0 DEAERO CCC1(CC)[C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)[C@@H](C)[C@@H]1OC ZINC000329306946 404297160 /nfs/dbraw/zinc/29/71/60/404297160.db2.gz YBQJLAMUTXMZFV-CUBALJKWSA-N 1 0 306.454 2.331 10 0 DEAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000344677551 404301175 /nfs/dbraw/zinc/30/11/75/404301175.db2.gz NNDUIKTYGOOGDR-QWHCGFSZSA-N 1 0 306.793 2.470 10 0 DEAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)nn1 ZINC000329544930 404371548 /nfs/dbraw/zinc/37/15/48/404371548.db2.gz ZCJLXCQDRRSIEJ-SJXGUFTOSA-N 1 0 322.453 2.169 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCOCC[C@@H]2C)C1 ZINC000364428172 404388806 /nfs/dbraw/zinc/38/88/06/404388806.db2.gz VVMKNEJJVWWTML-OAGGEKHMSA-N 1 0 311.470 2.175 10 0 DEAERO Cc1[nH]nc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1C ZINC000329697204 404425652 /nfs/dbraw/zinc/42/56/52/404425652.db2.gz YDVXVVFXDIDUQZ-XHDPSFHLSA-N 1 0 303.366 2.002 10 0 DEAERO Cc1nnc([C@H](C)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000371523219 404464868 /nfs/dbraw/zinc/46/48/68/404464868.db2.gz HFPSEYRFWDXUQG-IHRRRGAJSA-N 1 0 322.453 2.260 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCCCNC2=O)[C@@H](C)C1 ZINC000329834119 404466115 /nfs/dbraw/zinc/46/61/15/404466115.db2.gz LNWSTMZJHOXECW-ZNMIVQPWSA-N 1 0 309.454 2.322 10 0 DEAERO CCN(CCC(=O)OC)C(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000364772868 404535442 /nfs/dbraw/zinc/53/54/42/404535442.db2.gz TVDQZFXGXREREB-LBPRGKRZSA-N 1 0 321.421 2.050 10 0 DEAERO O=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)c1ccccn1 ZINC000351287525 404544424 /nfs/dbraw/zinc/54/44/24/404544424.db2.gz JJOMVTYBTLLOFR-STQMWFEESA-N 1 0 319.405 2.486 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]C2CC(C)(C)C2)CC(=O)N1C ZINC000330328969 404627555 /nfs/dbraw/zinc/62/75/55/404627555.db2.gz MCPACKFUFLRFBA-CZUORRHYSA-N 1 0 304.438 2.087 10 0 DEAERO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)n1 ZINC000374072417 404685838 /nfs/dbraw/zinc/68/58/38/404685838.db2.gz PTMLLJSEEVUSGJ-DGAVXFQQSA-N 1 0 309.410 2.116 10 0 DEAERO COCCCC[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000117880441 292319669 /nfs/dbraw/zinc/31/96/69/292319669.db2.gz LLOWEIHGWWLSOF-HNNXBMFYSA-N 1 0 312.479 2.480 10 0 DEAERO c1ccc(-c2ccc(N3CCC[N@@H+]([C@H]4CCOC4)CC3)nn2)cc1 ZINC000375724299 404734466 /nfs/dbraw/zinc/73/44/66/404734466.db2.gz VGLXZLAEDRVKDL-KRWDZBQOSA-N 1 0 324.428 2.445 10 0 DEAERO CC(=O)c1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nc1 ZINC000356860183 404709976 /nfs/dbraw/zinc/70/99/76/404709976.db2.gz NRROBZOQOHQABM-QGZVFWFLSA-N 1 0 317.433 2.365 10 0 DEAERO CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000356886036 404716527 /nfs/dbraw/zinc/71/65/27/404716527.db2.gz XIPVGOTURJICQC-CZUORRHYSA-N 1 0 317.433 2.075 10 0 DEAERO COc1cccc(N2CC[C@H](C[NH2+]Cc3c(C)cnn3C)C2)c1 ZINC000375683872 404727736 /nfs/dbraw/zinc/72/77/36/404727736.db2.gz AYTIWZXOZVXOQW-OAHLLOKOSA-N 1 0 314.433 2.353 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](CO)c1ccccc1 ZINC000360802162 404838931 /nfs/dbraw/zinc/83/89/31/404838931.db2.gz RRERKDIZDPSEQW-RDJZCZTQSA-N 1 0 321.465 2.182 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415280173 404839349 /nfs/dbraw/zinc/83/93/49/404839349.db2.gz ZKUHAUBOPYGQSX-SJKOYZFVSA-N 1 0 318.421 2.118 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)[C@H]2CCCc3nn(C)cc32)CC1 ZINC000366965801 404883079 /nfs/dbraw/zinc/88/30/79/404883079.db2.gz IHKMJRGYOSUGBW-HNNXBMFYSA-N 1 0 318.465 2.078 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)N(C)CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000367009407 404896722 /nfs/dbraw/zinc/89/67/22/404896722.db2.gz GMKOPSNTZTWFGZ-WBVHZDCISA-N 1 0 319.449 2.063 10 0 DEAERO C[C@@](O)(C[NH+]1CCC(C(=O)N2CCCCC2)CC1)C(F)(F)F ZINC000366847502 404857722 /nfs/dbraw/zinc/85/77/22/404857722.db2.gz SQMATSDSLJEBDZ-CQSZACIVSA-N 1 0 322.371 2.024 10 0 DEAERO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CCC(=O)NC2)cc1 ZINC000360952661 404860528 /nfs/dbraw/zinc/86/05/28/404860528.db2.gz ASDPTTGCHFDPNY-CQSZACIVSA-N 1 0 304.390 2.010 10 0 DEAERO Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000378335734 404932549 /nfs/dbraw/zinc/93/25/49/404932549.db2.gz SKVQNTBTEVMUTD-MRXNPFEDSA-N 1 0 315.417 2.387 10 0 DEAERO c1ncn(-c2ccc(CN3CCC[C@H]3C[NH+]3CCCC3)cc2)n1 ZINC000378352738 404939725 /nfs/dbraw/zinc/93/97/25/404939725.db2.gz WTCPYYXFASFMTP-SFHVURJKSA-N 1 0 311.433 2.328 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379633289 405027487 /nfs/dbraw/zinc/02/74/87/405027487.db2.gz TZPIHGKBOJFGJW-RTBURBONSA-N 1 0 320.477 2.417 10 0 DEAERO CCOC[C@@H](O)C[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379651470 405027557 /nfs/dbraw/zinc/02/75/57/405027557.db2.gz UNVWWDYLQISPCG-MSOLQXFVSA-N 1 0 306.450 2.028 10 0 DEAERO c1nc(C2CC[NH+](Cc3cnnn3-c3ccccc3)CC2)c[nH]1 ZINC000367378973 405032109 /nfs/dbraw/zinc/03/21/09/405032109.db2.gz WRBLFSARJMPGGY-UHFFFAOYSA-N 1 0 308.389 2.370 10 0 DEAERO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccsc1Br ZINC000388965554 405036483 /nfs/dbraw/zinc/03/64/83/405036483.db2.gz HMPTUXSSCSHHNH-KCJUWKMLSA-N 1 0 306.225 2.140 10 0 DEAERO Cn1c2ccc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)cc2oc1=O ZINC000408066786 405102987 /nfs/dbraw/zinc/10/29/87/405102987.db2.gz CRZWQEHNZXPKRU-KDOFPFPSSA-N 1 0 316.401 2.259 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000247400495 292336749 /nfs/dbraw/zinc/33/67/49/292336749.db2.gz HSGPJZWUPNRTET-IRXDYDNUSA-N 1 0 319.449 2.058 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nc(-c2ccoc2)no1 ZINC000408183449 405133089 /nfs/dbraw/zinc/13/30/89/405133089.db2.gz RTOAQGGBSXEMEB-TZMCWYRMSA-N 1 0 302.378 2.388 10 0 DEAERO CC(C)(C)[C@H]1CCN(c2cc(N3CCCC3)ncn2)C[C@@H]1O ZINC000408396499 405195980 /nfs/dbraw/zinc/19/59/80/405195980.db2.gz ZAXXWKUEJSFFCX-KBPBESRZSA-N 1 0 304.438 2.310 10 0 DEAERO O=C(NC1CCCCC1)N1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000437583113 405207928 /nfs/dbraw/zinc/20/79/28/405207928.db2.gz RWJPFLAYNPRMNR-HNNXBMFYSA-N 1 0 309.454 2.073 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)N[C@@H](C)CCC[NH3+])CC2 ZINC000418689771 405168027 /nfs/dbraw/zinc/16/80/27/405168027.db2.gz OUBSHTQHFDCKDK-ZDUSSCGKSA-N 1 0 317.433 2.127 10 0 DEAERO COC1([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)CCOCC1 ZINC000453100273 405284011 /nfs/dbraw/zinc/28/40/11/405284011.db2.gz RGZKWEMULGHKTO-RDJZCZTQSA-N 1 0 307.434 2.011 10 0 DEAERO COC1([C@H](C)[NH2+]CCCCNc2ccccn2)CCOCC1 ZINC000453099711 405284227 /nfs/dbraw/zinc/28/42/27/405284227.db2.gz WUZUTXZQUANBBS-HNNXBMFYSA-N 1 0 307.438 2.447 10 0 DEAERO CC(=O)N1CCN(Cc2ccc(-c3ccccn3)nc2)[C@H](C)C1 ZINC000425411991 405286346 /nfs/dbraw/zinc/28/63/46/405286346.db2.gz BMNFOBGOBVBXSO-CQSZACIVSA-N 1 0 310.401 2.196 10 0 DEAERO OCCC1([NH2+]C[C@@H](O)COCc2cccs2)CCCCC1 ZINC000440907012 405330473 /nfs/dbraw/zinc/33/04/73/405330473.db2.gz JCQFHVCEGDFGKV-CQSZACIVSA-N 1 0 313.463 2.301 10 0 DEAERO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+]1CC[C@H](C(C)C)C1 ZINC000446719609 405390165 /nfs/dbraw/zinc/39/01/65/405390165.db2.gz JAJCNOLMPYPTQM-ZWKOTPCHSA-N 1 0 316.445 2.281 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000447989585 405420154 /nfs/dbraw/zinc/42/01/54/405420154.db2.gz PLJAGKPQCDEXNB-OAHLLOKOSA-N 1 0 309.454 2.095 10 0 DEAERO CCOCc1nc(C)c(C(=O)NC[C@H]2CC[N@H+](CC)C2)s1 ZINC000448763452 405445360 /nfs/dbraw/zinc/44/53/60/405445360.db2.gz OFJZDCNHOCODEX-GFCCVEGCSA-N 1 0 311.451 2.060 10 0 DEAERO CO[C@@H](C)[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000577790830 405514087 /nfs/dbraw/zinc/51/40/87/405514087.db2.gz SRNSHNBTYMQRQL-HLLBOEOZSA-N 1 0 319.449 2.374 10 0 DEAERO CC(C)(C)[C@H](NC(=O)NCCNc1cc[nH+]cc1)C(F)(F)F ZINC000556723550 405515209 /nfs/dbraw/zinc/51/52/09/405515209.db2.gz VVYKNTLDZJSFFW-NSHDSACASA-N 1 0 318.343 2.192 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nn(C)c(C)c3Cl)[C@@H]2C1 ZINC000577853964 405528247 /nfs/dbraw/zinc/52/82/47/405528247.db2.gz KIKWRHOMTABECW-MJBXVCDLSA-N 1 0 324.856 2.119 10 0 DEAERO Cc1nc(CNC2CC[NH+](C)CC2)sc1Br ZINC000449399922 405547759 /nfs/dbraw/zinc/54/77/59/405547759.db2.gz FOXBXHXAXRKYKH-UHFFFAOYSA-N 1 0 304.257 2.398 10 0 DEAERO c1ccc(N2CC[C@@H](C[NH2+]CCCO[C@H]3CCOC3)C2)cc1 ZINC000638741641 405642942 /nfs/dbraw/zinc/64/29/42/405642942.db2.gz ICZBBOYNJHLDFL-WMZOPIPTSA-N 1 0 304.434 2.298 10 0 DEAERO CC[C@H](CCO)C[NH2+]Cc1snc(OC)c1Br ZINC000638764833 405657044 /nfs/dbraw/zinc/65/70/44/405657044.db2.gz BMEMCRHQXUWZSA-MRVPVSSYSA-N 1 0 323.256 2.412 10 0 DEAERO CCC1(C[NH2+]Cc2ccnn2-c2ccccc2OC)COC1 ZINC000449606083 405637571 /nfs/dbraw/zinc/63/75/71/405637571.db2.gz PMZFRYBCQASDQC-UHFFFAOYSA-N 1 0 301.390 2.397 10 0 DEAERO COc1nsc(C[NH2+]CCC[C@@H](C)CO)c1Br ZINC000638820310 405692812 /nfs/dbraw/zinc/69/28/12/405692812.db2.gz AWYMQYBEFJNCFZ-MRVPVSSYSA-N 1 0 323.256 2.412 10 0 DEAERO COc1cc(C2(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)ccc1C ZINC000449714554 405706270 /nfs/dbraw/zinc/70/62/70/405706270.db2.gz HCUSUYLZIXWNFL-ZFWWWQNUSA-N 1 0 302.418 2.279 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c1 ZINC000636085891 405726925 /nfs/dbraw/zinc/72/69/25/405726925.db2.gz FPYJTKVRCNIHEW-HZPDHXFCSA-N 1 0 318.417 2.113 10 0 DEAERO c1ccc(-n2nnc(CNCC[NH+]3CCCC3)c2C2CC2)cc1 ZINC000638866640 405728727 /nfs/dbraw/zinc/72/87/27/405728727.db2.gz ZPHZJJYVZCAOQH-UHFFFAOYSA-N 1 0 311.433 2.330 10 0 DEAERO Cc1cc(Br)ccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638893545 405744922 /nfs/dbraw/zinc/74/49/22/405744922.db2.gz ZKLUXQLJAPKBDT-GHMZBOCLSA-N 1 0 311.223 2.424 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NCC2(CC)COC2)CC1 ZINC000459117736 405755254 /nfs/dbraw/zinc/75/52/54/405755254.db2.gz YZKPVGMPHAAFBB-UHFFFAOYSA-N 1 0 311.470 2.176 10 0 DEAERO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2cncn2C)cc1 ZINC000583615578 405774890 /nfs/dbraw/zinc/77/48/90/405774890.db2.gz MGQURCSLMMMTBD-ROUUACIJSA-N 1 0 315.417 2.301 10 0 DEAERO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000530867734 405874182 /nfs/dbraw/zinc/87/41/82/405874182.db2.gz KUCAECKXJFZBPP-NUJGCVRESA-N 1 0 322.449 2.109 10 0 DEAERO CC[C@H]1CN(Cc2cnnn2CC)CC[N@@H+]1Cc1ccccc1 ZINC000459401256 405888529 /nfs/dbraw/zinc/88/85/29/405888529.db2.gz LSKHEQXICHGYDZ-KRWDZBQOSA-N 1 0 313.449 2.394 10 0 DEAERO COc1nsc(C[NH2+]C2CCC(O)CC2)c1Br ZINC000639062473 405855218 /nfs/dbraw/zinc/85/52/18/405855218.db2.gz ZDOHEYDFGQLLND-UHFFFAOYSA-N 1 0 321.240 2.307 10 0 DEAERO c1cc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)nc(N2CCOCC2)c1 ZINC000639065399 405856482 /nfs/dbraw/zinc/85/64/82/405856482.db2.gz GUFSVAWWULOZSG-OWCLPIDISA-N 1 0 301.434 2.444 10 0 DEAERO C[C@@H]1CCCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530813706 405864378 /nfs/dbraw/zinc/86/43/78/405864378.db2.gz AXRXJCONRZYNBS-VQIMIIECSA-N 1 0 316.445 2.272 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639123162 405901834 /nfs/dbraw/zinc/90/18/34/405901834.db2.gz JVLZRZDRHNQZNH-QZTJIDSGSA-N 1 0 315.461 2.361 10 0 DEAERO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000561353860 405920782 /nfs/dbraw/zinc/92/07/82/405920782.db2.gz UTGVMQFYLSHNLG-RDHHWEPZSA-N 1 0 318.465 2.483 10 0 DEAERO c1cn(C[C@H]2CC[N@H+](C[C@H]3CCN(c4ccccc4)C3)C2)nn1 ZINC000639305291 406033504 /nfs/dbraw/zinc/03/35/04/406033504.db2.gz OKDZXIMJOZOSSD-SJORKVTESA-N 1 0 311.433 2.127 10 0 DEAERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1cccc2c1CCOC2 ZINC000634315590 406094741 /nfs/dbraw/zinc/09/47/41/406094741.db2.gz OQTOTPQUJLCGEK-KBPBESRZSA-N 1 0 302.418 2.248 10 0 DEAERO CC1(C)C[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC000562618001 406045412 /nfs/dbraw/zinc/04/54/12/406045412.db2.gz ZDHOZNHVDSFHAP-JSGCOSHPSA-N 1 0 317.351 2.312 10 0 DEAERO CO[C@@H](C)[C@@H](C)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000518850560 406161488 /nfs/dbraw/zinc/16/14/88/406161488.db2.gz MWZYJHFLNVQCGB-QXSJWSMHSA-N 1 0 313.486 2.467 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)c1cc(C2CCCCC2)n[nH]1 ZINC000534064499 406168402 /nfs/dbraw/zinc/16/84/02/406168402.db2.gz QRDGHQWXMHLMHV-UHFFFAOYSA-N 1 0 313.405 2.116 10 0 DEAERO c1cnc(-c2ccnc(NC3CC[NH+](C4CCC4)CC3)n2)cn1 ZINC000518310591 406133957 /nfs/dbraw/zinc/13/39/57/406133957.db2.gz CANZFJLHALKDDY-UHFFFAOYSA-N 1 0 310.405 2.362 10 0 DEAERO CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H](C)CCn2cccn2)cn1 ZINC000485988078 406183132 /nfs/dbraw/zinc/18/31/32/406183132.db2.gz HUHFOZDPFCZFOU-BHYGNILZSA-N 1 0 317.437 2.388 10 0 DEAERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(I)cn1 ZINC000519601504 406219455 /nfs/dbraw/zinc/21/94/55/406219455.db2.gz CMXYJIBDSPRELR-JGVFFNPUSA-N 1 0 305.163 2.224 10 0 DEAERO O[C@]1(C[NH2+]CC[C@H]2CC2(F)F)CCN(Cc2ccccc2)C1 ZINC000634722370 406246628 /nfs/dbraw/zinc/24/66/28/406246628.db2.gz OCAYZGMZXQFPNW-HOTGVXAUSA-N 1 0 310.388 2.258 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@H]1CCSc2ccccc21 ZINC000536017767 406247836 /nfs/dbraw/zinc/24/78/36/406247836.db2.gz PRFWFFHBUYHOGC-HNNXBMFYSA-N 1 0 313.426 2.311 10 0 DEAERO O=C(c1ccncc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569919759 406320786 /nfs/dbraw/zinc/32/07/86/406320786.db2.gz AQLIRLBSFBVCQI-AWEZNQCLSA-N 1 0 324.222 2.060 10 0 DEAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000488928346 406361756 /nfs/dbraw/zinc/36/17/56/406361756.db2.gz GIDPHJKQRKCTSP-UONOGXRCSA-N 1 0 318.408 2.474 10 0 DEAERO c1cc2c(cc1[C@@H]1CCCN1CC13CC(C1)C[NH2+]3)OCCO2 ZINC000634991880 406389604 /nfs/dbraw/zinc/38/96/04/406389604.db2.gz VHIJWKXEPGCXAK-DBQDNQAGSA-N 1 0 300.402 2.347 10 0 DEAERO c1cc(N2CCCCCC2)ncc1CNCC12CC(C1)C[NH2+]2 ZINC000634995479 406389839 /nfs/dbraw/zinc/38/98/39/406389839.db2.gz GJTVPWHCIVZZFT-UHFFFAOYSA-N 1 0 300.450 2.304 10 0 DEAERO COCC(=O)Nc1cccc(CNC(=[NH2+])N2CCC(C)CC2)c1 ZINC000522239809 406399180 /nfs/dbraw/zinc/39/91/80/406399180.db2.gz YYUYQHIPKMKGGA-UHFFFAOYSA-N 1 0 318.421 2.028 10 0 DEAERO CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000522934893 406414243 /nfs/dbraw/zinc/41/42/43/406414243.db2.gz LVDPZEPICWYTBE-JKSUJKDBSA-N 1 0 324.465 2.440 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000634975571 406381471 /nfs/dbraw/zinc/38/14/71/406381471.db2.gz BMWUNQHPPQVTMD-KLAILNCOSA-N 1 0 323.458 2.291 10 0 DEAERO CN(Cc1cccc(Br)c1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637919200 406476904 /nfs/dbraw/zinc/47/69/04/406476904.db2.gz QSQXWROISSIFJF-ZDUSSCGKSA-N 1 0 309.207 2.455 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637933931 406483998 /nfs/dbraw/zinc/48/39/98/406483998.db2.gz RKLCOZZLYUMESJ-AWEZNQCLSA-N 1 0 317.216 2.330 10 0 DEAERO Cc1ccc(CCNC(=O)N2CCC(c3ncc[nH]3)CC2)cn1 ZINC000524261746 406443602 /nfs/dbraw/zinc/44/36/02/406443602.db2.gz NTOMTUSMILLHOO-UHFFFAOYSA-N 1 0 313.405 2.245 10 0 DEAERO Cc1nc2ccccc2n1CCC(=O)N(C)CCC[NH+](C)C ZINC000547805696 406449600 /nfs/dbraw/zinc/44/96/00/406449600.db2.gz LSXMGYXJSLTEOL-UHFFFAOYSA-N 1 0 302.422 2.145 10 0 DEAERO [NH3+]C[C@@]1(C(=O)Nc2cccc(Br)c2)CCCOC1 ZINC000637869320 406455369 /nfs/dbraw/zinc/45/53/69/406455369.db2.gz NOAJRWTWILVSLM-ZDUSSCGKSA-N 1 0 313.195 2.143 10 0 DEAERO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637871473 406455479 /nfs/dbraw/zinc/45/54/79/406455479.db2.gz QSBZWMGNDPZTEA-BFYDXBDKSA-N 1 0 303.450 2.235 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC1CCCCC1 ZINC000637870683 406455493 /nfs/dbraw/zinc/45/54/93/406455493.db2.gz VEQGOPBYFUBVOL-KRWDZBQOSA-N 1 0 303.450 2.142 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637886298 406461950 /nfs/dbraw/zinc/46/19/50/406461950.db2.gz GFFKCXDLVOUXDF-CYBMUJFWSA-N 1 0 302.827 2.129 10 0 DEAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000524797248 406462403 /nfs/dbraw/zinc/46/24/03/406462403.db2.gz XYVSVGQDVOLDDZ-HUUCEWRRSA-N 1 0 317.433 2.335 10 0 DEAERO CC(C)C1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638023549 406527860 /nfs/dbraw/zinc/52/78/60/406527860.db2.gz OJEDRUGXQILOAZ-GOSISDBHSA-N 1 0 317.477 2.340 10 0 DEAERO c1cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)n(CC2CCC2)n1 ZINC000638140231 406590434 /nfs/dbraw/zinc/59/04/34/406590434.db2.gz LDZCQLFYNAYGEE-GOSISDBHSA-N 1 0 319.449 2.453 10 0 DEAERO [NH3+][C@H]1CC=C(C(=O)NCc2ccsc2Br)C1 ZINC000638282321 406670887 /nfs/dbraw/zinc/67/08/87/406670887.db2.gz RAWBSUVDFNSOGP-VIFPVBQESA-N 1 0 301.209 2.174 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOCC2CCC2)C[C@H]1C ZINC000572572206 406693048 /nfs/dbraw/zinc/69/30/48/406693048.db2.gz SGSHXLFGCZQZDK-GDBMZVCRSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H]([NH2+]CCOCC1CCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000552280672 406699079 /nfs/dbraw/zinc/69/90/79/406699079.db2.gz PHVQBEAPLOSGJD-LBPRGKRZSA-N 1 0 304.390 2.485 10 0 DEAERO COc1nsc(C[NH2+]C[C@H]2CCCOC2)c1Br ZINC000638398844 406747859 /nfs/dbraw/zinc/74/78/59/406747859.db2.gz FRGNTPGKICXVPQ-MRVPVSSYSA-N 1 0 321.240 2.430 10 0 DEAERO CCC(C)(C)[C@H](C)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638408510 406755107 /nfs/dbraw/zinc/75/51/07/406755107.db2.gz ZJSNRFFSIDMTOV-GOEBONIOSA-N 1 0 305.466 2.387 10 0 DEAERO c1cnc(N2CCOCC2)c(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000638350260 406717450 /nfs/dbraw/zinc/71/74/50/406717450.db2.gz FFLANLNKETYZTC-INMHGKMJSA-N 1 0 301.434 2.444 10 0 DEAERO O[C@H](C[NH2+]Cc1nnc2ccccn21)Cc1cccc(Cl)c1 ZINC000554395382 406796017 /nfs/dbraw/zinc/79/60/17/406796017.db2.gz FNGZXRKEJDRKMU-AWEZNQCLSA-N 1 0 316.792 2.076 10 0 DEAERO c1nc2nc(-c3ccccc3)cc(N3C[C@H]4CCC[C@@H](C3)[NH2+]4)n2n1 ZINC000569461836 292416359 /nfs/dbraw/zinc/41/63/59/292416359.db2.gz GKVGGWRVCVOKJX-GASCZTMLSA-N 1 0 320.400 2.122 10 0 DEAERO CC[C@H]([NH3+])Cc1cnc(-n2nc(C)c(Br)c2C)nc1 ZINC000128601183 195977990 /nfs/dbraw/zinc/97/79/90/195977990.db2.gz GQYKEWFHOZWTDE-NSHDSACASA-N 1 0 324.226 2.321 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000246791069 287222088 /nfs/dbraw/zinc/22/20/88/287222088.db2.gz PLDHSNUEVDYKDG-RRFJBIMHSA-N 1 0 309.454 2.212 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCC(OCCO)CC1 ZINC000128816304 195994263 /nfs/dbraw/zinc/99/42/63/195994263.db2.gz ZLPVABWTGYPUQW-WBMJQRKESA-N 1 0 312.841 2.202 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000247068506 287228943 /nfs/dbraw/zinc/22/89/43/287228943.db2.gz YBCBJZKHJHVCKC-KGLIPLIRSA-N 1 0 302.374 2.114 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)[C@@H](OC)C1CC1 ZINC000129201635 196028416 /nfs/dbraw/zinc/02/84/16/196028416.db2.gz ZHMYCVTYCODFJI-GWCFXTLKSA-N 1 0 316.243 2.047 10 0 DEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000129175071 196025695 /nfs/dbraw/zinc/02/56/95/196025695.db2.gz BPFQFZKUZBTRSW-RKDXNWHRSA-N 1 0 300.196 2.243 10 0 DEAERO C[N@H+](CC[C@@H]1COCCN1)Cc1ccc(Br)cc1 ZINC000129401712 196044618 /nfs/dbraw/zinc/04/46/18/196044618.db2.gz LYYDIZWFSHKUNO-CQSZACIVSA-N 1 0 313.239 2.259 10 0 DEAERO C[N@H+](CC[C@@H]1COCCN1)Cc1cccc(Br)c1 ZINC000129402235 196045103 /nfs/dbraw/zinc/04/51/03/196045103.db2.gz JVVXCUHLBKHVSJ-CQSZACIVSA-N 1 0 313.239 2.259 10 0 DEAERO CC(C)(C)[NH2+]C[C@H]1CC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129394545 196045287 /nfs/dbraw/zinc/04/52/87/196045287.db2.gz OUCAMZWYHRQLAT-RRFJBIMHSA-N 1 0 316.511 2.462 10 0 DEAERO Cc1ccc([C@@H](C)N(C)C(=O)C(C)(C)N2CC[NH2+]CC2)s1 ZINC000129663279 196065502 /nfs/dbraw/zinc/06/55/02/196065502.db2.gz YOBIMVIEDVVJPH-CYBMUJFWSA-N 1 0 309.479 2.260 10 0 DEAERO CC(C)[NH2+]C[C@H]1CCC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129675414 196066750 /nfs/dbraw/zinc/06/67/50/196066750.db2.gz TZKSSNBUKVCAHL-HRCADAONSA-N 1 0 316.511 2.462 10 0 DEAERO COCC[NH2+]C[C@H](COC)Cc1ccc(Br)cc1 ZINC000129706625 196069219 /nfs/dbraw/zinc/06/92/19/196069219.db2.gz DOHXVCMRXLLACS-CYBMUJFWSA-N 1 0 316.239 2.490 10 0 DEAERO C[NH2+]C1(C)CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000129845015 196079564 /nfs/dbraw/zinc/07/95/64/196079564.db2.gz XRATZGIOERDCDJ-UHFFFAOYSA-N 1 0 312.211 2.058 10 0 DEAERO COc1ccc(NC(=O)[C@@H](C)CC[NH3+])cc1Br ZINC000130551840 196089722 /nfs/dbraw/zinc/08/97/22/196089722.db2.gz OOURURGRSXSYKU-QMMMGPOBSA-N 1 0 301.184 2.381 10 0 DEAERO CC(C)[NH2+][C@](C)(CCCCSc1ncns1)C(N)=O ZINC000130596179 196094016 /nfs/dbraw/zinc/09/40/16/196094016.db2.gz RQDAESJPGDSJPG-GFCCVEGCSA-N 1 0 302.469 2.043 10 0 DEAERO CC(C)OCCOC[C@@H](O)C[NH2+]CCCCC(F)(F)F ZINC000130610135 196094994 /nfs/dbraw/zinc/09/49/94/196094994.db2.gz YTLORVYBPIPOHP-LBPRGKRZSA-N 1 0 301.349 2.111 10 0 DEAERO O=c1c2ccnn2ccn1CC[NH2+]Cc1ccc(Cl)s1 ZINC000130727287 196104321 /nfs/dbraw/zinc/10/43/21/196104321.db2.gz UTUPWJAETARZLR-UHFFFAOYSA-N 1 0 308.794 2.001 10 0 DEAERO CCOC(=O)CN(C[C@@H](O)COc1cccc(C)c1)C(C)(C)C ZINC000130740182 196105632 /nfs/dbraw/zinc/10/56/32/196105632.db2.gz NOSBLVQUYBSVDY-OAHLLOKOSA-N 1 0 323.433 2.398 10 0 DEAERO C[NH2+]C[C@@H]1COCCN1Cc1ccc(Br)cc1F ZINC000130733707 196105715 /nfs/dbraw/zinc/10/57/15/196105715.db2.gz VHPLJXLQWKRKFL-GFCCVEGCSA-N 1 0 317.202 2.008 10 0 DEAERO C[C@H](CNS(=O)(=O)c1ccc(C[NH3+])cc1)c1ccccc1 ZINC000131163142 196145482 /nfs/dbraw/zinc/14/54/82/196145482.db2.gz ZEYSJBQZHNYSLJ-CYBMUJFWSA-N 1 0 304.415 2.227 10 0 DEAERO CC(C)[NH+](CCNc1cn[nH]c(=O)c1Br)C(C)C ZINC000131175361 196146981 /nfs/dbraw/zinc/14/69/81/196146981.db2.gz BLWSRDCXEVDWPS-UHFFFAOYSA-N 1 0 317.231 2.063 10 0 DEAERO CC(C)[NH2+]CCCCS(=O)(=O)NCCCCC(F)(F)F ZINC000131239592 196151819 /nfs/dbraw/zinc/15/18/19/196151819.db2.gz BTHLTIARQOETFP-UHFFFAOYSA-N 1 0 318.405 2.417 10 0 DEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@@H](C)CCSC)cc1 ZINC000131232955 196152482 /nfs/dbraw/zinc/15/24/82/196152482.db2.gz PTUVWCWRAQPCOA-NWDGAFQWSA-N 1 0 316.492 2.387 10 0 DEAERO CC[NH2+][C@@H](CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000131265638 196155306 /nfs/dbraw/zinc/15/53/06/196155306.db2.gz CULTUUVQLVZFFE-HOCLYGCPSA-N 1 0 311.447 2.041 10 0 DEAERO [NH3+][C@@]1(C(=O)Nc2ccc(Cl)cc2Br)CCOC1 ZINC000131562181 196180248 /nfs/dbraw/zinc/18/02/48/196180248.db2.gz JIPIIPAUBVTNKP-NSHDSACASA-N 1 0 319.586 2.159 10 0 DEAERO CC[NH2+][C@H](c1ncccc1F)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000131662699 196189418 /nfs/dbraw/zinc/18/94/18/196189418.db2.gz WDINFXUSUMSTHA-OBJOEFQTSA-N 1 0 314.426 2.475 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1C)[C@@H](C)S(C)(=O)=O ZINC000131921654 196209962 /nfs/dbraw/zinc/20/99/62/196209962.db2.gz PCJHAVGKZLZCSE-DOMZBBRYSA-N 1 0 301.427 2.478 10 0 DEAERO CCc1nn(C)c(CN2CC[C@@H]([NH3+])C[C@@H]2C)c1Br ZINC000131911700 196210130 /nfs/dbraw/zinc/21/01/30/196210130.db2.gz HXKFXOKWYHQGFB-VHSXEESVSA-N 1 0 315.259 2.057 10 0 DEAERO COC[C@@H](C)[C@H](C[NH3+])N1CCN(c2cccc(Cl)c2)CC1 ZINC000131927756 196210770 /nfs/dbraw/zinc/21/07/70/196210770.db2.gz RPBLDIDJDGVALO-CJNGLKHVSA-N 1 0 311.857 2.072 10 0 DEAERO COC[C@@H](C)[C@H](C[NH3+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000131936919 196211498 /nfs/dbraw/zinc/21/14/98/196211498.db2.gz XHXXGZFWECUMHB-CJNGLKHVSA-N 1 0 311.857 2.072 10 0 DEAERO [NH3+]C1(C(=O)Nc2c3ncsc3ccc2Cl)CCOCC1 ZINC000132086281 196225147 /nfs/dbraw/zinc/22/51/47/196225147.db2.gz ULIJLTMPVSDMOY-UHFFFAOYSA-N 1 0 311.794 2.396 10 0 DEAERO C[NH2+][C@H](c1cccc(OC2CC2)c1)[C@H]1CCCCS1(=O)=O ZINC000132360025 196249250 /nfs/dbraw/zinc/24/92/50/196249250.db2.gz QKDXZBCWJXEZQT-HZPDHXFCSA-N 1 0 309.431 2.456 10 0 DEAERO C[C@@H]1[C@H](C)SCCN1[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000132401440 196253100 /nfs/dbraw/zinc/25/31/00/196253100.db2.gz RNJNHBPCDKEBCE-DYEKYZERSA-N 1 0 308.447 2.283 10 0 DEAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(CC)c(CC)o1 ZINC000132279079 196241912 /nfs/dbraw/zinc/24/19/12/196241912.db2.gz JCRCUKUISRZCAR-AWEZNQCLSA-N 1 0 310.438 2.491 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000132486820 196259275 /nfs/dbraw/zinc/25/92/75/196259275.db2.gz GZUSEKPABKBCLX-ZJUUUORDSA-N 1 0 322.352 2.154 10 0 DEAERO CC(C)(CNC(=O)N1CC[C@H]2OCCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000132807592 196285750 /nfs/dbraw/zinc/28/57/50/196285750.db2.gz RVHVAIIUTSRLRR-HZPDHXFCSA-N 1 0 323.481 2.461 10 0 DEAERO CCCn1ncc(Br)c1[C@H](O)[C@@H]1CCC[NH2+]C1 ZINC000132876702 196292289 /nfs/dbraw/zinc/29/22/89/196292289.db2.gz MUIVCANHFUJTFY-BXKDBHETSA-N 1 0 302.216 2.089 10 0 DEAERO O[C@@H](Cc1cc(F)cc(Br)c1)C1CC[NH2+]CC1 ZINC000133008624 196304695 /nfs/dbraw/zinc/30/46/95/196304695.db2.gz ZQGBXSVXSSYKHL-ZDUSSCGKSA-N 1 0 302.187 2.491 10 0 DEAERO O[C@H](Cc1cc(F)cc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000133060699 196308414 /nfs/dbraw/zinc/30/84/14/196308414.db2.gz JBDIOCXALJFXQH-ZWNOBZJWSA-N 1 0 302.187 2.491 10 0 DEAERO C[C@H]([NH3+])CCCC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000133210138 196321822 /nfs/dbraw/zinc/32/18/22/196321822.db2.gz ZJYINPZBBUWPNC-JTQLQIEISA-N 1 0 311.813 2.498 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@]1(O)CCC[C@H]([NH3+])C1 ZINC000133307290 196329287 /nfs/dbraw/zinc/32/92/87/196329287.db2.gz UFDLZGFDZSBAJJ-GXFFZTMASA-N 1 0 316.243 2.149 10 0 DEAERO CC(=O)NC1CCN([C@H](c2ccc(Cl)s2)[C@H](C)[NH3+])CC1 ZINC000133741155 196332788 /nfs/dbraw/zinc/33/27/88/196332788.db2.gz GRCLYWMNXIZZMV-XPTSAGLGSA-N 1 0 315.870 2.390 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](COc2ncc(Cl)cc2Br)O1 ZINC000133852850 196340462 /nfs/dbraw/zinc/34/04/62/196340462.db2.gz NZYKSGPZYXQVJF-IONNQARKSA-N 1 0 321.602 2.253 10 0 DEAERO COCc1nnc2sc(CC[C@H](CC[NH3+])C(C)(C)C)nn12 ZINC000133889876 196343937 /nfs/dbraw/zinc/34/39/37/196343937.db2.gz UYRZRVYQDHFZMX-SNVBAGLBSA-N 1 0 311.455 2.276 10 0 DEAERO CC[NH2+][C@@H](CSc1n[nH]c(=O)n1C)c1cc(C)cc(C)c1 ZINC000134130584 196364079 /nfs/dbraw/zinc/36/40/79/196364079.db2.gz XGANQYIQDNLKGU-ZDUSSCGKSA-N 1 0 306.435 2.168 10 0 DEAERO CCC(CO)(CO)[NH2+][C@H](C)c1sccc1Br ZINC000134465829 196394148 /nfs/dbraw/zinc/39/41/48/196394148.db2.gz VIQUSHYHXSSKHO-MRVPVSSYSA-N 1 0 308.241 2.295 10 0 DEAERO CCOC(=O)CN(CC(C)C)C(=O)C[C@H]([NH3+])CC(C)(C)C ZINC000134830663 196422247 /nfs/dbraw/zinc/42/22/47/196422247.db2.gz BDLGRARODARSHG-ZDUSSCGKSA-N 1 0 300.443 2.188 10 0 DEAERO C[C@@]1(C(=O)Nc2ncc(Br)s2)CCC[C@H]1[NH3+] ZINC000134931706 196431706 /nfs/dbraw/zinc/43/17/06/196431706.db2.gz BWVGVNBMRPXOAO-LHLIQPBNSA-N 1 0 304.213 2.362 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1Oc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000136464018 196538390 /nfs/dbraw/zinc/53/83/90/196538390.db2.gz LRKRAZQSJRHQTD-NWDGAFQWSA-N 1 0 305.346 2.332 10 0 DEAERO Cc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)ncc1Br ZINC000136487145 196538995 /nfs/dbraw/zinc/53/89/95/196538995.db2.gz RLKYANMCBWWCTB-SNVBAGLBSA-N 1 0 300.200 2.464 10 0 DEAERO CC(C)(C)[C@H]([NH3+])CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000136877090 196556108 /nfs/dbraw/zinc/55/61/08/196556108.db2.gz XAILGAMMABPWJR-HZSPNIEDSA-N 1 0 314.495 2.263 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)[C@H]2CC23CC[NH2+]CC3)no1 ZINC000137016099 196561077 /nfs/dbraw/zinc/56/10/77/196561077.db2.gz JHPGLDVVASYHLP-OLZOCXBDSA-N 1 0 318.421 2.246 10 0 DEAERO O=C1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(Br)c2)N1 ZINC000137127582 196566467 /nfs/dbraw/zinc/56/64/67/196566467.db2.gz ZAUKGDKZHHMCMI-VIFPVBQESA-N 1 0 317.614 2.471 10 0 DEAERO COc1ccc(C[C@@H]([NH3+])c2ccnn2C)cc1Br ZINC000137175459 196567750 /nfs/dbraw/zinc/56/77/50/196567750.db2.gz IKHHOGNYKYPDTM-LLVKDONJSA-N 1 0 310.195 2.434 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000189809862 225063080 /nfs/dbraw/zinc/06/30/80/225063080.db2.gz JAHHQICJJARHMH-CYBMUJFWSA-N 1 0 320.437 2.325 10 0 DEAERO Cn1cncc1C[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000191107253 225104949 /nfs/dbraw/zinc/10/49/49/225104949.db2.gz NRWCERCUEMFJJA-UHFFFAOYSA-N 1 0 304.825 2.221 10 0 DEAERO COCC1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192623264 225138667 /nfs/dbraw/zinc/13/86/67/225138667.db2.gz JINQPCZKLGEEQB-UHFFFAOYSA-N 1 0 306.431 2.458 10 0 DEAERO O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1ccn2c[nH+]cc2c1 ZINC000299745236 229387473 /nfs/dbraw/zinc/38/74/73/229387473.db2.gz WZDAZNIDCSSNOW-DLBZAZTESA-N 1 0 322.368 2.379 10 0 DEAERO Cc1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n(C)n1 ZINC000043434518 424812046 /nfs/dbraw/zinc/81/20/46/424812046.db2.gz DGQDALQCBBDIGH-AWEZNQCLSA-N 1 0 301.394 2.153 10 0 DEAERO C[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000052286968 424837784 /nfs/dbraw/zinc/83/77/84/424837784.db2.gz IHTWNJJEHMHAGE-SUZMYJTESA-N 1 0 300.196 2.187 10 0 DEAERO CN(C(=O)C[NH+]1CCC(Cn2cccn2)CC1)C1CCCCC1 ZINC000105886501 424849354 /nfs/dbraw/zinc/84/93/54/424849354.db2.gz IALWDYYZKPBWPN-UHFFFAOYSA-N 1 0 318.465 2.386 10 0 DEAERO C1C(Nc2nnc(C3CCOCC3)s2)CC1[NH+]1CCCCC1 ZINC000549563569 424874472 /nfs/dbraw/zinc/87/44/72/424874472.db2.gz XJURNOSXLBNHAB-UHFFFAOYSA-N 1 0 322.478 2.861 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 ZINC000194641929 424877938 /nfs/dbraw/zinc/87/79/38/424877938.db2.gz MGPZWGRDSJOJSQ-HIFRSBDPSA-N 1 0 322.836 2.492 10 0 DEAERO [NH3+]CCc1nc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cs1 ZINC000194804146 424878660 /nfs/dbraw/zinc/87/86/60/424878660.db2.gz QUXGJYVWJFSXCD-STQMWFEESA-N 1 0 301.415 2.178 10 0 DEAERO CC(C)[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000124793038 424855322 /nfs/dbraw/zinc/85/53/22/424855322.db2.gz HMDBFGBMWHYGDZ-QMTHXVAHSA-N 1 0 322.232 2.340 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000125228419 424855336 /nfs/dbraw/zinc/85/53/36/424855336.db2.gz SUMMCJMPRCJDRU-QWRGUYRKSA-N 1 0 302.827 2.197 10 0 DEAERO CCC[C@H](C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1)[NH+](C)C ZINC000154488453 424861623 /nfs/dbraw/zinc/86/16/23/424861623.db2.gz HJOVRVSQCPHGIA-HYVNUMGLSA-N 1 0 306.450 2.388 10 0 DEAERO COC(C)(C)C[C@@H](C)NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000177565318 424864062 /nfs/dbraw/zinc/86/40/62/424864062.db2.gz OLVFQKYJPAGXIE-KGLIPLIRSA-N 1 0 308.426 2.261 10 0 DEAERO Brc1cccc2c1CC[C@@H]2[NH2+]C1COCCOC1 ZINC000381280097 424908506 /nfs/dbraw/zinc/90/85/06/424908506.db2.gz UQRRQCNHHDJRQP-AWEZNQCLSA-N 1 0 312.207 2.441 10 0 DEAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc(Br)o1 ZINC000401401938 424923481 /nfs/dbraw/zinc/92/34/81/424923481.db2.gz NUHSJBBMYHEYHK-JTQLQIEISA-N 1 0 313.195 2.447 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2ccc(Br)s2)CCOC1 ZINC000404189318 424926202 /nfs/dbraw/zinc/92/62/02/424926202.db2.gz IDSGKMAAYSVBBX-NSHDSACASA-N 1 0 306.225 2.142 10 0 DEAERO CCN1CCN(C(=O)c2nscc2Br)C[C@H]1C ZINC000404786550 424928830 /nfs/dbraw/zinc/92/88/30/424928830.db2.gz FQHNDHUMVQZTFW-MRVPVSSYSA-N 1 0 318.240 2.072 10 0 DEAERO [NH3+]CC1(CCNC(=O)c2sccc2Br)CC1 ZINC000404788757 424929157 /nfs/dbraw/zinc/92/91/57/424929157.db2.gz KCCUBDIJKDXHEP-UHFFFAOYSA-N 1 0 303.225 2.369 10 0 DEAERO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1nscc1Br ZINC000404836276 424929881 /nfs/dbraw/zinc/92/98/81/424929881.db2.gz ZXZVNWLLBWMAOR-SSDOTTSWSA-N 1 0 306.229 2.009 10 0 DEAERO CN(CCOCc1ccccc1)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407448043 424932552 /nfs/dbraw/zinc/93/25/52/424932552.db2.gz YKTLBEQTUQLRIW-DLBZAZTESA-N 1 0 302.418 2.192 10 0 DEAERO c1[nH+]cn2cc(CNc3ccnc(N4CCCCC4)n3)ccc12 ZINC000574500236 424943570 /nfs/dbraw/zinc/94/35/70/424943570.db2.gz GOZPGMDPULJARD-UHFFFAOYSA-N 1 0 308.389 2.727 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C3(C)CCCC3)on2)C1 ZINC000561459196 424891026 /nfs/dbraw/zinc/89/10/26/424891026.db2.gz UTHKIQBLWWTDDV-ZDUSSCGKSA-N 1 0 320.437 2.970 10 0 DEAERO C[NH+]1CCC(CNC(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000578516143 424959013 /nfs/dbraw/zinc/95/90/13/424959013.db2.gz XAWAAQOUOGICBP-UHFFFAOYSA-N 1 0 320.437 2.970 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(-c3ccccc3)on2)C1 ZINC000443904473 425046017 /nfs/dbraw/zinc/04/60/17/425046017.db2.gz GAORSDHJAQUXBV-CYBMUJFWSA-N 1 0 314.389 2.805 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H]1c1ccnc(N)c1 ZINC000616610560 425097948 /nfs/dbraw/zinc/09/79/48/425097948.db2.gz UOKHHYJGGLPOGU-ZDUSSCGKSA-N 1 0 306.410 2.325 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2ccc(Br)s2)CC1=O ZINC000657693352 425387644 /nfs/dbraw/zinc/38/76/44/425387644.db2.gz AIOJQFJPUDEPDG-QMMMGPOBSA-N 1 0 303.225 2.079 10 0 DEAERO C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000661434066 425407494 /nfs/dbraw/zinc/40/74/94/425407494.db2.gz NNEKSZJYVWYQKQ-NXHRZFHOSA-N 1 0 307.434 2.047 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC000187625782 267666497 /nfs/dbraw/zinc/66/64/97/267666497.db2.gz KBFYBBPQVLZSBD-GDBMZVCRSA-N 1 0 311.470 2.175 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)NCCc1cc(F)ccc1F ZINC000189846401 267696692 /nfs/dbraw/zinc/69/66/92/267696692.db2.gz DBXHKQMDBCVSRG-UHFFFAOYSA-N 1 0 313.392 2.491 10 0 DEAERO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc2cc[nH]c2c1 ZINC000333064247 268879202 /nfs/dbraw/zinc/87/92/02/268879202.db2.gz SZUKCKUTQAYTLR-UHFFFAOYSA-N 1 0 302.378 2.012 10 0 DEAERO COc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000333295920 268921994 /nfs/dbraw/zinc/92/19/94/268921994.db2.gz JVCPXLUFQQYREN-GHMZBOCLSA-N 1 0 309.797 2.422 10 0 DEAERO C[C@H]1CN(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)C[C@@H]1[NH3+] ZINC000333587575 268957041 /nfs/dbraw/zinc/95/70/41/268957041.db2.gz OFFJEAKVGNUNRG-LNHVQRHZSA-N 1 0 309.360 2.331 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333894671 269001139 /nfs/dbraw/zinc/00/11/39/269001139.db2.gz HPXKDKMJXAQIAJ-IHRRRGAJSA-N 1 0 303.406 2.007 10 0 DEAERO Cc1nc(-c2cccnc2)nc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000333924923 269004809 /nfs/dbraw/zinc/00/48/09/269004809.db2.gz UAXMTWURFMFVHV-JYJNAYRXSA-N 1 0 309.417 2.329 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(c3cncc(OC4CCCCC4)n3)C[C@@H]12 ZINC000333926050 269004902 /nfs/dbraw/zinc/00/49/02/269004902.db2.gz VCKVHBILOOMSDA-NWANDNLSSA-N 1 0 302.422 2.362 10 0 DEAERO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000333926506 269005029 /nfs/dbraw/zinc/00/50/29/269005029.db2.gz VLWCQODTPVTOGB-ZNMIVQPWSA-N 1 0 309.417 2.329 10 0 DEAERO OC[C@]1([NH2+]Cc2ccc(-n3cncn3)cc2)CCc2ccccc21 ZINC000370803881 269083904 /nfs/dbraw/zinc/08/39/04/269083904.db2.gz UTPLNTVBUIIWJU-LJQANCHMSA-N 1 0 320.396 2.191 10 0 DEAERO O=C(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)NC1CC1 ZINC000391057617 269097727 /nfs/dbraw/zinc/09/77/27/269097727.db2.gz KKFCJPKZMKYMJQ-AYHJJNSGSA-N 1 0 313.445 2.050 10 0 DEAERO C[C@]1(C(=O)NCc2csc(Br)c2)CCC[NH2+]1 ZINC000397302579 269105453 /nfs/dbraw/zinc/10/54/53/269105453.db2.gz KZYNQFBRSSBJBH-LLVKDONJSA-N 1 0 303.225 2.269 10 0 DEAERO O=C(NCCOCC1CCC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000515345555 269349979 /nfs/dbraw/zinc/34/99/79/269349979.db2.gz XMVCGWPRWYENAU-INIZCTEOSA-N 1 0 309.454 2.119 10 0 DEAERO COc1ccc(F)c2[nH]c(C(=O)N(C)CCC[NH+](C)C)cc21 ZINC000527251414 269522703 /nfs/dbraw/zinc/52/27/03/269522703.db2.gz SPSZYVFOSQTAFQ-UHFFFAOYSA-N 1 0 307.369 2.339 10 0 DEAERO COc1cc2c(c(CN3CC[N@@H+]4CCC[C@@H]4C3)c1)O[C@@H](C)C2 ZINC000179545568 274100107 /nfs/dbraw/zinc/10/01/07/274100107.db2.gz UHARMGMAKHSMPR-XJKSGUPXSA-N 1 0 302.418 2.299 10 0 DEAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000249749123 274289834 /nfs/dbraw/zinc/28/98/34/274289834.db2.gz PRXULXKDZUVZRT-RBSFLKMASA-N 1 0 311.470 2.316 10 0 DEAERO C[C@H]1C[C@H](C(=O)NCC2CC[NH+](CCO)CC2)CC(C)(C)C1 ZINC000184233621 274618568 /nfs/dbraw/zinc/61/85/68/274618568.db2.gz VIWINJXNVRZKLS-HOCLYGCPSA-N 1 0 310.482 2.269 10 0 DEAERO O[C@@H](C[N@@H+]1CCC[C@@H](n2cncn2)C1)c1ccc(Cl)cc1 ZINC000247034644 275051308 /nfs/dbraw/zinc/05/13/08/275051308.db2.gz DIUJGIYUAMKCIT-CABCVRRESA-N 1 0 306.797 2.302 10 0 DEAERO CC(C)Cn1c(=O)c2sccc2nc1N1CCC([NH3+])CC1 ZINC000057346600 275604173 /nfs/dbraw/zinc/60/41/73/275604173.db2.gz YODLURIVVGGLKL-UHFFFAOYSA-N 1 0 306.435 2.042 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCCO1)c1ccco1 ZINC000102905089 276118704 /nfs/dbraw/zinc/11/87/04/276118704.db2.gz PMIBZTPETDMNQZ-LSDHHAIUSA-N 1 0 323.437 2.483 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1nc2c(cccc2OC)n1C ZINC000184146315 276159686 /nfs/dbraw/zinc/15/96/86/276159686.db2.gz CVEPUPZKOGDPSN-ZDUSSCGKSA-N 1 0 316.405 2.395 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(OC)nc1C ZINC000123813297 276168838 /nfs/dbraw/zinc/16/88/38/276168838.db2.gz QGUDJJAUOQEQQF-CYBMUJFWSA-N 1 0 306.410 2.347 10 0 DEAERO CCC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C1 ZINC000186308077 276201863 /nfs/dbraw/zinc/20/18/63/276201863.db2.gz WBCADLSGKBLBRY-JKSUJKDBSA-N 1 0 323.481 2.016 10 0 DEAERO CCN1CCc2nc(NC(=O)CC3CC[NH+](C)CC3)sc2C1 ZINC000371813925 276236529 /nfs/dbraw/zinc/23/65/29/276236529.db2.gz BWVCMLOZVXSERX-UHFFFAOYSA-N 1 0 322.478 2.192 10 0 DEAERO CC[N@H+](CCNC(=O)N[C@@H]1CCOc2ccccc21)C1CC1 ZINC000171154063 276347106 /nfs/dbraw/zinc/34/71/06/276347106.db2.gz PCOIRCDFDYWSBB-OAHLLOKOSA-N 1 0 303.406 2.294 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000341603195 276838621 /nfs/dbraw/zinc/83/86/21/276838621.db2.gz FUQRRJZYHWRYQD-MCIONIFRSA-N 1 0 305.426 2.129 10 0 DEAERO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2C[C@H]2CCCCO2)n1C ZINC000328631359 277018265 /nfs/dbraw/zinc/01/82/65/277018265.db2.gz KKDQPXNGPBAHQL-ZBFHGGJFSA-N 1 0 319.449 2.481 10 0 DEAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000173292008 277110647 /nfs/dbraw/zinc/11/06/47/277110647.db2.gz SQALXNPANKQNBI-QGZVFWFLSA-N 1 0 319.424 2.068 10 0 DEAERO CC(=O)c1ncc(C(=O)NC2CC([NH+]3CCCCC3)C2)s1 ZINC000412307685 277118506 /nfs/dbraw/zinc/11/85/06/277118506.db2.gz MJARJMHCGJJGGV-UHFFFAOYSA-N 1 0 307.419 2.092 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCOC2)[C@@H]1c1ccccc1 ZINC000245680232 277166938 /nfs/dbraw/zinc/16/69/38/277166938.db2.gz VCGXVHBHVCZELA-PVAVHDDUSA-N 1 0 317.433 2.158 10 0 DEAERO CC(C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262099940 277448481 /nfs/dbraw/zinc/44/84/81/277448481.db2.gz DPEGZOJZPNZBAT-BBWFWOEESA-N 1 0 318.465 2.150 10 0 DEAERO C[C@@H]1C[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC(C)(C)C1 ZINC000248409749 277960803 /nfs/dbraw/zinc/96/08/03/277960803.db2.gz GFQMFTQJKJKHEG-BZUAXINKSA-N 1 0 310.482 2.412 10 0 DEAERO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246762302 278199995 /nfs/dbraw/zinc/19/99/95/278199995.db2.gz QCSVAFAALGVPDZ-NNXHMXCWSA-N 1 0 308.466 2.380 10 0 DEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000262509468 278221252 /nfs/dbraw/zinc/22/12/52/278221252.db2.gz MVHMGIFWZPLINE-OAHLLOKOSA-N 1 0 302.422 2.399 10 0 DEAERO C[C@@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)[C@@H]1CCCO1 ZINC000183130451 278339357 /nfs/dbraw/zinc/33/93/57/278339357.db2.gz IDQIBHXGGSPKMB-PWSUYJOCSA-N 1 0 305.403 2.392 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000186216267 279063612 /nfs/dbraw/zinc/06/36/12/279063612.db2.gz YJSGTXLBTPDQAU-IRXDYDNUSA-N 1 0 323.481 2.460 10 0 DEAERO CC(C)C[C@H](C)S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000247511433 279117137 /nfs/dbraw/zinc/11/71/37/279117137.db2.gz NEIVGWWJBARJSH-ZNMIVQPWSA-N 1 0 302.484 2.167 10 0 DEAERO CC(C)C[C@H](C)S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000152872639 279117516 /nfs/dbraw/zinc/11/75/16/279117516.db2.gz NEIVGWWJBARJSH-KKUMJFAQSA-N 1 0 302.484 2.167 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000261552890 279238091 /nfs/dbraw/zinc/23/80/91/279238091.db2.gz SAOKMDRXZMIIMC-DOTOQJQBSA-N 1 0 303.450 2.094 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc2c(c1)OCCCO2 ZINC000180583295 279522100 /nfs/dbraw/zinc/52/21/00/279522100.db2.gz QEQHXISWNVZERC-GXTWGEPZSA-N 1 0 314.389 2.105 10 0 DEAERO C[C@H]1[NH2+]CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)[C@@H]1C ZINC000262899365 280049438 /nfs/dbraw/zinc/04/94/38/280049438.db2.gz XMVBMYSYJZEQLN-GHMZBOCLSA-N 1 0 306.793 2.325 10 0 DEAERO O=C([C@@H]1Cc2ccccc2O1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171584008 280118494 /nfs/dbraw/zinc/11/84/94/280118494.db2.gz HYUOQJGVPIHAEQ-AEFFLSMTSA-N 1 0 314.429 2.467 10 0 DEAERO CC[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(C)cc1 ZINC000172115769 280172951 /nfs/dbraw/zinc/17/29/51/280172951.db2.gz FWWBXHDPYHQMQB-IAGOWNOFSA-N 1 0 319.449 2.418 10 0 DEAERO CC1(C)CC(NC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)CC(C)(C)[NH2+]1 ZINC000172114152 280909261 /nfs/dbraw/zinc/90/92/61/280909261.db2.gz ZHTYMLFXZCPDAO-NNQSOWQGSA-N 1 0 323.481 2.098 10 0 DEAERO Cc1cccc(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)c1 ZINC000173288863 281189847 /nfs/dbraw/zinc/18/98/47/281189847.db2.gz HKWZQGTUXNXYAL-SFHVURJKSA-N 1 0 315.461 2.237 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OC)c(OC)c1 ZINC000175033126 281191831 /nfs/dbraw/zinc/19/18/31/281191831.db2.gz WYTSTMQAFPQKMW-LSDHHAIUSA-N 1 0 318.417 2.403 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)oc1C ZINC000183250793 281195245 /nfs/dbraw/zinc/19/52/45/281195245.db2.gz GJEXGOOFYCHSHW-UONOGXRCSA-N 1 0 312.435 2.144 10 0 DEAERO Cc1cccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)n1 ZINC000119229727 281715457 /nfs/dbraw/zinc/71/54/57/281715457.db2.gz HCXLYBIQTUOYML-UHFFFAOYSA-N 1 0 304.438 2.406 10 0 DEAERO C[C@H](CC[NH2+]Cc1csc(-c2ccccn2)n1)[S@](C)=O ZINC000129482106 281912937 /nfs/dbraw/zinc/91/29/37/281912937.db2.gz XPTIXYUYUPTMLU-BIBXISHDSA-N 1 0 309.460 2.452 10 0 DEAERO Cn1cc(CC[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000130015417 281927773 /nfs/dbraw/zinc/92/77/73/281927773.db2.gz DRNLONPTTAGGHO-AWEZNQCLSA-N 1 0 322.453 2.199 10 0 DEAERO CCc1cc(C(=O)NCCCC[NH+]2CCOCC2)oc1CC ZINC000135007119 282058242 /nfs/dbraw/zinc/05/82/42/282058242.db2.gz QNJBBXPDPQVVII-UHFFFAOYSA-N 1 0 308.422 2.247 10 0 DEAERO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249556705 289266062 /nfs/dbraw/zinc/26/60/62/289266062.db2.gz KBEXCDJYQFVTGZ-VNQPRFMTSA-N 1 0 322.474 2.157 10 0 DEAERO C[NH+](C)[C@@H]1CCN(c2ncc(F)cn2)[C@H]1Cc1ccccc1 ZINC000096070007 289317634 /nfs/dbraw/zinc/31/76/34/289317634.db2.gz XOFIAAXSEUSEHF-CVEARBPZSA-N 1 0 300.381 2.367 10 0 DEAERO Cn1nccc1[C@H]1CCCCN1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000342122573 289325433 /nfs/dbraw/zinc/32/54/33/289325433.db2.gz WIXCBNHZDRYNPO-SQWLQELKSA-N 1 0 319.453 2.139 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000188183884 293662679 /nfs/dbraw/zinc/66/26/79/293662679.db2.gz IFLKCZVWVIASAL-QWHCGFSZSA-N 1 0 300.410 2.166 10 0 DEAERO O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000262469861 295654453 /nfs/dbraw/zinc/65/44/53/295654453.db2.gz JEMAWBMCBIERFW-BRWVUGGUSA-N 1 0 302.418 2.413 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCn1cnc2ccccc21 ZINC000246822913 297097778 /nfs/dbraw/zinc/09/77/78/297097778.db2.gz CNLHNOJEOOECRD-CABCVRRESA-N 1 0 312.417 2.122 10 0 DEAERO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC([C@H](C)O)CC1 ZINC000247739776 298115215 /nfs/dbraw/zinc/11/52/15/298115215.db2.gz WOYCPKBLAJAWGS-KFWWJZLASA-N 1 0 316.445 2.446 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089108229 300962405 /nfs/dbraw/zinc/96/24/05/300962405.db2.gz XVBISBAKFYKCNZ-AAEUAGOBSA-N 1 0 316.854 2.444 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(C)s1 ZINC000227029930 301381234 /nfs/dbraw/zinc/38/12/34/301381234.db2.gz DQKBXMBRRKMUHX-CMPLNLGQSA-N 1 0 302.465 2.255 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2CCC[C@H]2C)CC(=O)N1C ZINC000330199459 302780987 /nfs/dbraw/zinc/78/09/87/302780987.db2.gz VMGVDYZUPJCELE-KEAXFYSCSA-N 1 0 304.438 2.087 10 0 DEAERO C/C(=C\c1ccccc1OC(F)F)C[NH+]1CC(C)(C(N)=O)C1 ZINC000572764658 325977151 /nfs/dbraw/zinc/97/71/51/325977151.db2.gz GFPXVOJUHSPMJV-YRNVUSSQSA-N 1 0 310.344 2.499 10 0 DEAERO Brc1cnc(CN2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000575312125 326232804 /nfs/dbraw/zinc/23/28/04/326232804.db2.gz DRICDXYMMGEVFX-GFCCVEGCSA-N 1 0 316.268 2.481 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000575473895 326239868 /nfs/dbraw/zinc/23/98/68/326239868.db2.gz LVIBIQOHXNAHJH-KGLIPLIRSA-N 1 0 306.410 2.085 10 0 DEAERO COc1cnccc1[C@H](C)[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000187066003 332956973 /nfs/dbraw/zinc/95/69/73/332956973.db2.gz CNVBPQBJCMBIFA-NSHDSACASA-N 1 0 304.350 2.066 10 0 DEAERO COC[C@@H](C)C[NH2+][C@@H](CCSC)c1nnc2ccccn21 ZINC000187629156 332979543 /nfs/dbraw/zinc/97/95/43/332979543.db2.gz 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518185997 /nfs/dbraw/zinc/18/59/97/518185997.db2.gz WRMUGDFRWDKHJA-YMTOWFKASA-N 1 0 312.410 2.073 10 0 DEAERO CCOCC[N@@H+]1CCN([C@@H](C)c2nc(C3CC3)no2)C[C@@H]1CC ZINC000105838467 519923194 /nfs/dbraw/zinc/92/31/94/519923194.db2.gz VXVVQIUWMJHSCT-ZFWWWQNUSA-N 1 0 322.453 2.441 10 0 DEAERO CCC(CC)(CCO)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000152072964 521407891 /nfs/dbraw/zinc/40/78/91/521407891.db2.gz KNNIDZOCUWZMBL-QGZVFWFLSA-N 1 0 320.477 2.464 10 0 DEAERO CCOc1ccccc1CN1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000106104630 521483124 /nfs/dbraw/zinc/48/31/24/521483124.db2.gz DEYLVEJEMGSQSN-NVXWUHKLSA-N 1 0 306.450 2.362 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000237088419 521950095 /nfs/dbraw/zinc/95/00/95/521950095.db2.gz BJKAULYZONGMCH-UHFFFAOYSA-N 1 0 315.186 2.412 10 0 DEAERO COCc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)o1 ZINC000107261224 522945659 /nfs/dbraw/zinc/94/56/59/522945659.db2.gz FBRXAOMSCFERER-UHFFFAOYSA-N 1 0 317.389 2.025 10 0 DEAERO 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ZINC000247240733 623456771 /nfs/dbraw/zinc/45/67/71/623456771.db2.gz NBLUTRPBIBLIOS-RDJZCZTQSA-N 1 0 307.482 2.384 10 0 DEAERO C[C@@H](C1CC1)n1nccc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000255131672 623563045 /nfs/dbraw/zinc/56/30/45/623563045.db2.gz MWZLRZMAWZVFGF-CWRNSKLLSA-N 1 0 316.449 2.337 10 0 DEAERO O=S(=O)(/C=C\c1ccccc1)NC1CC[NH+](CC2CC2)CC1 ZINC000255143448 623607617 /nfs/dbraw/zinc/60/76/17/623607617.db2.gz MYAHRJQNJGDVDD-RAXLEYEMSA-N 1 0 320.458 2.451 10 0 DEAERO C[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(F)c(Cl)c1 ZINC000187637924 624067381 /nfs/dbraw/zinc/06/73/81/624067381.db2.gz APOYTCALLPMSCR-SECBINFHSA-N 1 0 320.817 2.021 10 0 DEAERO CCC[C@H](C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C)[NH+](C)C ZINC000188800616 624168848 /nfs/dbraw/zinc/16/88/48/624168848.db2.gz FMLZCWRRYQJAEN-CHWSQXEVSA-N 1 0 307.442 2.035 10 0 DEAERO [NH3+]C1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000051693849 624888666 /nfs/dbraw/zinc/88/86/66/624888666.db2.gz RJJLRNWWTRHZGU-UHFFFAOYSA-N 1 0 304.362 2.365 10 0 DEAERO CN(C1(C[NH3+])CCCCC1)S(=O)(=O)c1ccccc1F ZINC000050092693 624926756 /nfs/dbraw/zinc/92/67/56/624926756.db2.gz XSAXCAPDGVPREE-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000311963635 625062654 /nfs/dbraw/zinc/06/26/54/625062654.db2.gz LWFKBYIJDCYISD-KLJVGYMYSA-N 1 0 300.811 2.062 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(N2CCCC2=O)cc1 ZINC000177766785 625086294 /nfs/dbraw/zinc/08/62/94/625086294.db2.gz GZKOACSVHWQALH-ZDUSSCGKSA-N 1 0 317.433 2.379 10 0 DEAERO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC(=O)OC1CCCCC1 ZINC000161523128 625110078 /nfs/dbraw/zinc/11/00/78/625110078.db2.gz CGDZLUKLBFBNNH-GJZGRUSLSA-N 1 0 310.438 2.276 10 0 DEAERO c1cn(-c2cc(C[NH2+]Cc3cccc4c3OCCO4)ccn2)cn1 ZINC000236575542 625180107 /nfs/dbraw/zinc/18/01/07/625180107.db2.gz PSTNVMNSHCSRGB-UHFFFAOYSA-N 1 0 322.368 2.328 10 0 DEAERO CO[C@@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181295932 625217184 /nfs/dbraw/zinc/21/71/84/625217184.db2.gz ASCFXZSCLRZPMW-SUMWQHHRSA-N 1 0 303.402 2.328 10 0 DEAERO Cc1sc(C[NH2+]C[C@H]2CN(C)CCO2)cc1Br ZINC000227841193 625230690 /nfs/dbraw/zinc/23/06/90/625230690.db2.gz DXCDSEWYQCZVBS-JTQLQIEISA-N 1 0 319.268 2.239 10 0 DEAERO C/C=C\C[N@@H+]1CCCn2nc(CCC(=O)N3CCCC3)cc2C1 ZINC000219321363 625239250 /nfs/dbraw/zinc/23/92/50/625239250.db2.gz MBIKJOXQWIJKKQ-IHWYPQMZSA-N 1 0 316.449 2.220 10 0 DEAERO O=S(=O)(N[C@@H]1CCCC12CCCCC2)[C@@H]1CCC[NH2+]C1 ZINC000312962068 633384426 /nfs/dbraw/zinc/38/44/26/633384426.db2.gz ABMTWGCBOXWRCK-ZIAGYGMSSA-N 1 0 300.468 2.161 10 0 DEAERO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCNC(=O)OC(C)(C)C ZINC000734846582 633430296 /nfs/dbraw/zinc/43/02/96/633430296.db2.gz YTXRQSALCJHYJU-UKRRQHHQSA-N 1 0 308.422 2.265 10 0 DEAERO Cn1cnc(CC[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000313250517 633502689 /nfs/dbraw/zinc/50/26/89/633502689.db2.gz GVZJNWPUHRKQOR-CQSZACIVSA-N 1 0 324.222 2.048 10 0 DEAERO C[C@@H](NC(=O)[C@H]([NH3+])C1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000261720374 636259264 /nfs/dbraw/zinc/25/92/64/636259264.db2.gz JFUJRLSRAYWQQS-XHRNPLNVSA-N 1 0 320.477 2.461 10 0 DEAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261981265 636964211 /nfs/dbraw/zinc/96/42/11/636964211.db2.gz RQWJBBCTFBDCGL-SIXLDLHFSA-N 1 0 302.418 2.257 10 0 DEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187809211 637027743 /nfs/dbraw/zinc/02/77/43/637027743.db2.gz SSGVVLNRMPGQRY-KGLIPLIRSA-N 1 0 302.484 2.072 10 0 DEAERO Cc1noc2ncc(C[N@H+](C)C[C@@H]3CCn4ccnc4C3)cc12 ZINC000894779944 637207466 /nfs/dbraw/zinc/20/74/66/637207466.db2.gz SNOCRDQYWZBWEF-CYBMUJFWSA-N 1 0 311.389 2.422 10 0 DEAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000178924777 637295240 /nfs/dbraw/zinc/29/52/40/637295240.db2.gz SCUAQSKWQDQKBT-JATZPVMKSA-N 1 0 312.410 2.185 10 0 DEAERO COC(=O)/C(C)=C/CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000750054904 637810504 /nfs/dbraw/zinc/81/05/04/637810504.db2.gz NZUOSIKCCISNGT-FVLHSZHDSA-N 1 0 302.418 2.312 10 0 DEAERO COC(=O)/C(C)=C\CN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000746495290 638349112 /nfs/dbraw/zinc/34/91/12/638349112.db2.gz YEJDAZSJPZPLFL-APSNUPSMSA-N 1 0 302.418 2.232 10 0 DEAERO Cc1cccc(F)c1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747557529 638450480 /nfs/dbraw/zinc/45/04/80/638450480.db2.gz YJRSTGIMRSOXRF-UHFFFAOYSA-N 1 0 319.384 2.214 10 0 DEAERO CCOC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000752384986 639178720 /nfs/dbraw/zinc/17/87/20/639178720.db2.gz STULZIQTBVMUAP-INIZCTEOSA-N 1 0 318.417 2.210 10 0 DEAERO CC(C)c1ccc([C@H](C)NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cc1 ZINC000899963289 642221327 /nfs/dbraw/zinc/22/13/27/642221327.db2.gz DLQNEPBKIXJLJL-FDQGKXFDSA-N 1 0 304.434 2.442 10 0 DEAERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1nnsc1-c1ccccc1 ZINC000222572945 646452763 /nfs/dbraw/zinc/45/27/63/646452763.db2.gz YLQVGWMQLWWQNB-ZDUSSCGKSA-N 1 0 314.414 2.029 10 0 DEAERO Cc1cccc2c1OCC[C@@H]2NC(=O)N(C)CCC[NH+](C)C ZINC000188573367 646498860 /nfs/dbraw/zinc/49/88/60/646498860.db2.gz GATSHXRXCNGSBQ-HNNXBMFYSA-N 1 0 305.422 2.412 10 0 DEAERO COC(=O)c1cn(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)nn1 ZINC000057823037 646523757 /nfs/dbraw/zinc/52/37/57/646523757.db2.gz JGDREFOISPEEHC-CQSZACIVSA-N 1 0 306.410 2.457 10 0 DEAERO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000214667019 646589734 /nfs/dbraw/zinc/58/97/34/646589734.db2.gz MSMBBVYGUHLGQM-QQBNSCQMSA-N 1 0 314.838 2.324 10 0 DEAERO COC(OC)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000227262017 646597880 /nfs/dbraw/zinc/59/78/80/646597880.db2.gz IMVRTBYRKUPDPW-CHWSQXEVSA-N 1 0 316.442 2.373 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1nncn1C ZINC000229084580 646665886 /nfs/dbraw/zinc/66/58/86/646665886.db2.gz CVNBMZUVGMBAPK-YNEHKIRRSA-N 1 0 323.441 2.159 10 0 DEAERO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CSCCS2)cc1 ZINC000229602018 646693677 /nfs/dbraw/zinc/69/36/77/646693677.db2.gz JBDDWNWDLMMCMO-DZGCQCFKSA-N 1 0 313.488 2.173 10 0 DEAERO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)N1CCc2ccccc21 ZINC000172056274 646719663 /nfs/dbraw/zinc/71/96/63/646719663.db2.gz CIYZEOZSKDNPOS-BFYDXBDKSA-N 1 0 313.445 2.133 10 0 DEAERO CCC[C@@H]1CC(=O)N(C[NH+]2CCC(Cn3cccn3)CC2)C1 ZINC000173362688 646767548 /nfs/dbraw/zinc/76/75/48/646767548.db2.gz CCWMMMLAQJXLTL-MRXNPFEDSA-N 1 0 304.438 2.201 10 0 DEAERO CCC[N@H+](C[C@H]1CCCCO1)CN1C[C@](C)(COC)CC1=O ZINC000245416771 646897545 /nfs/dbraw/zinc/89/75/45/646897545.db2.gz IWCYLBGNESNBGE-NVXWUHKLSA-N 1 0 312.454 2.110 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NOCc1ccccc1 ZINC000174715338 646949311 /nfs/dbraw/zinc/94/93/11/646949311.db2.gz IRLLQZGSXVPSJS-JKSUJKDBSA-N 1 0 303.406 2.386 10 0 DEAERO COc1ccc(OCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000151805144 647020955 /nfs/dbraw/zinc/02/09/55/647020955.db2.gz JDDLMWJFOFNQHM-COXVUDFISA-N 1 0 318.417 2.111 10 0 DEAERO O=c1oc2ccccc2n1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000151812278 647022050 /nfs/dbraw/zinc/02/20/50/647022050.db2.gz JUPWUOZUWLHZBE-UHFFFAOYSA-N 1 0 315.417 2.360 10 0 DEAERO COCC[N@H+]1[C@H](C)CN(C(=O)NCCC2=CCCC2)C[C@@H]1C ZINC000152157674 647108264 /nfs/dbraw/zinc/10/82/64/647108264.db2.gz AHKIZFRZEWLQGP-GASCZTMLSA-N 1 0 309.454 2.237 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C)c2NC(C)=O)C1 ZINC000730935694 647434866 /nfs/dbraw/zinc/43/48/66/647434866.db2.gz FNMPTJBAQWKSGS-AWEZNQCLSA-N 1 0 303.406 2.025 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1nc(C(F)F)n(C)c1=S ZINC000181384548 648640873 /nfs/dbraw/zinc/64/08/73/648640873.db2.gz KDLMXGCDHUJPOZ-JTQLQIEISA-N 1 0 319.425 2.262 10 0 DEAERO CCN(CCCc1nc(-c2cccs2)no1)[C@@H]1CC[NH2+]C1 ZINC000071313090 649076000 /nfs/dbraw/zinc/07/60/00/649076000.db2.gz IJKHNAAVNMUKPJ-GFCCVEGCSA-N 1 0 306.435 2.415 10 0 DEAERO C[C@H]1[C@H]([NH2+]Cc2cncnc2)CCCN1C(=O)OC(C)(C)C ZINC000189531075 649415567 /nfs/dbraw/zinc/41/55/67/649415567.db2.gz CBLWVEFYGDKFIC-GXTWGEPZSA-N 1 0 306.410 2.354 10 0 DEAERO C[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000114445066 651955317 /nfs/dbraw/zinc/95/53/17/651955317.db2.gz XUMMEEOLUVNGAP-ROUUACIJSA-N 1 0 317.433 2.487 10 0 DEAERO Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C ZINC000858007929 652236338 /nfs/dbraw/zinc/23/63/38/652236338.db2.gz DSQKWIUSUCOBCF-IJEWVQPXSA-N 1 0 315.421 2.337 10 0 DEAERO CN(C(=O)c1ccc(Br)nc1)[C@H]1C[NH+]2CCC1CC2 ZINC000388272695 685426756 /nfs/dbraw/zinc/42/67/56/685426756.db2.gz NUZGCSCYMNAJFE-LBPRGKRZSA-N 1 0 324.222 2.010 10 0 DEAERO CN(C[C@H]1CCC[N@@H+]1C)c1nncc(-c2ccccc2F)n1 ZINC000014962838 683850390 /nfs/dbraw/zinc/85/03/90/683850390.db2.gz JLMSMZGNDSKHRH-GFCCVEGCSA-N 1 0 301.369 2.208 10 0 DEAERO COC(=O)CC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000037252242 683881885 /nfs/dbraw/zinc/88/18/85/683881885.db2.gz BVSUXHASNKVWNM-LLVKDONJSA-N 1 0 314.179 2.425 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)COc1ccc2c(c1)CCC2 ZINC000041912733 683892944 /nfs/dbraw/zinc/89/29/44/683892944.db2.gz GKGUTXPSBCNDBC-AWEZNQCLSA-N 1 0 304.434 2.401 10 0 DEAERO C[N@@H+]1CCCN(C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000042245234 683895120 /nfs/dbraw/zinc/89/51/20/683895120.db2.gz PGSXFXLDZDJJIW-AWEZNQCLSA-N 1 0 302.340 2.376 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CCC[C@@H]1O)c1cccc(C(F)(F)F)c1 ZINC000089169361 684019923 /nfs/dbraw/zinc/01/99/23/684019923.db2.gz WVMPKEGHIGINAK-KWCYVHTRSA-N 1 0 303.324 2.489 10 0 DEAERO Cc1ccc2oc(=O)n(C[N@H+]3CC[C@H](c4cnn(C)c4)C3)c2c1 ZINC000116257695 684064490 /nfs/dbraw/zinc/06/44/90/684064490.db2.gz RLBPOSAZGLIGBC-ZDUSSCGKSA-N 1 0 312.373 2.083 10 0 DEAERO NC(=O)c1ccc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000117100380 684067291 /nfs/dbraw/zinc/06/72/91/684067291.db2.gz YIKKZRSNIHBWNU-KRWDZBQOSA-N 1 0 324.380 2.217 10 0 DEAERO CSCCCCC(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000119288206 684079185 /nfs/dbraw/zinc/07/91/85/684079185.db2.gz BMERYNWIUJMZRY-AWEZNQCLSA-N 1 0 303.468 2.420 10 0 DEAERO CCOC(=O)CN1CCC(COC(=O)/C=C/c2ccco2)CC1 ZINC000124798613 684138336 /nfs/dbraw/zinc/13/83/36/684138336.db2.gz BQHWVWFDCZQJPB-AATRIKPKSA-N 1 0 321.373 2.111 10 0 DEAERO CN(C)C(=O)Sc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000129115013 684176352 /nfs/dbraw/zinc/17/63/52/684176352.db2.gz VBOUMKPREODFMW-LLVKDONJSA-N 1 0 307.419 2.398 10 0 DEAERO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCSCC1 ZINC000131599296 684200706 /nfs/dbraw/zinc/20/07/06/684200706.db2.gz CSKYNAUUPVGBMA-CQSZACIVSA-N 1 0 303.431 2.003 10 0 DEAERO O=C(C[C@@H]1COC(=O)C1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000134775184 684230477 /nfs/dbraw/zinc/23/04/77/684230477.db2.gz OKFPDIXZHMKGLX-AWEZNQCLSA-N 1 0 302.374 2.174 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)C[C@@H](O)c2cccc(F)c2)CC1 ZINC000155253885 684269239 /nfs/dbraw/zinc/26/92/39/684269239.db2.gz FTDXLKVWNZADSJ-QGZVFWFLSA-N 1 0 322.424 2.487 10 0 DEAERO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000188070988 684348280 /nfs/dbraw/zinc/34/82/80/684348280.db2.gz FYGJJNKICLOIQR-ZDUSSCGKSA-N 1 0 304.390 2.456 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)CC2CCC3(CC2)OCCO3)CC[N@@H+]1C ZINC000188497257 684358023 /nfs/dbraw/zinc/35/80/23/684358023.db2.gz MRQMDKQJPBDUIQ-GDBMZVCRSA-N 1 0 324.465 2.251 10 0 DEAERO CO[C@H]1CN(CN2C(=O)OC[C@@H]2Cc2ccccc2)CC[C@@H]1C ZINC000190198305 684397830 /nfs/dbraw/zinc/39/78/30/684397830.db2.gz KSCUJPPLOBDCEC-XIRDDKMYSA-N 1 0 318.417 2.364 10 0 DEAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000191690372 684435098 /nfs/dbraw/zinc/43/50/98/684435098.db2.gz PSAFIACGCRDMHA-HYVNUMGLSA-N 1 0 302.418 2.192 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cccnc2Cl)[C@@H](C)C1 ZINC000245425015 685111029 /nfs/dbraw/zinc/11/10/29/685111029.db2.gz KJYYAICUUZEYNA-GXTWGEPZSA-N 1 0 324.856 2.336 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000246239114 685126330 /nfs/dbraw/zinc/12/63/30/685126330.db2.gz RLXDRJFAKYKGCQ-UFXRLHEYSA-N 1 0 308.447 2.305 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H](O)c1cccc(F)c1 ZINC000246700854 685134659 /nfs/dbraw/zinc/13/46/59/685134659.db2.gz WGPLMKNQTWPXON-XHSDSOJGSA-N 1 0 308.397 2.273 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1nc2n(c1=S)CCCCC2 ZINC000246906152 685138762 /nfs/dbraw/zinc/13/87/62/685138762.db2.gz CHXQPCNQJFBQIR-KBPBESRZSA-N 1 0 321.494 2.266 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248749688 685167087 /nfs/dbraw/zinc/16/70/87/685167087.db2.gz BUYJAORCVWUDOS-PVAVHDDUSA-N 1 0 303.402 2.477 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@H](C)Oc2ccccc2)C1 ZINC000249202483 685176722 /nfs/dbraw/zinc/17/67/22/685176722.db2.gz AHJGHBPENCWQBF-DOTOQJQBSA-N 1 0 321.417 2.354 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c(C)sc(C)c1C ZINC000722593799 776536692 /nfs/dbraw/zinc/53/66/92/776536692.db2.gz JVXCZHJNYUMMCB-ZDUSSCGKSA-N 1 0 316.492 2.436 10 0 DEAERO Cc1cn(C)nc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000723502000 777113607 /nfs/dbraw/zinc/11/36/07/777113607.db2.gz XTDNIIJSTWCLPX-UONOGXRCSA-N 1 0 322.453 2.464 10 0 DEAERO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000723565220 777125130 /nfs/dbraw/zinc/12/51/30/777125130.db2.gz NFGIUCFJPAGJOF-CQSZACIVSA-N 1 0 300.468 2.113 10 0 DEAERO CC[C@@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)[C@H]1CCCOC1 ZINC000723969537 777211056 /nfs/dbraw/zinc/21/10/56/777211056.db2.gz RLTRGCUPHGWKQS-UONOGXRCSA-N 1 0 305.484 2.385 10 0 DEAERO CCN(CC)C[C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724040214 777226494 /nfs/dbraw/zinc/22/64/94/777226494.db2.gz GQBFSDNMHIGCRN-NXEZZACHSA-N 1 0 306.319 2.255 10 0 DEAERO C[C@@](O)(C[N@@H+]1CCC[C@@](C)(O)CC1)C(F)(F)C(F)(F)F ZINC000724041748 777228659 /nfs/dbraw/zinc/22/86/59/777228659.db2.gz OVVRXXACHZSVGY-NXEZZACHSA-N 1 0 305.287 2.172 10 0 DEAERO C[C@@H]1CC([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C[C@@H](C)O1 ZINC000724095331 777239761 /nfs/dbraw/zinc/23/97/61/777239761.db2.gz BPNUJVAFEPKOHP-MRTMQBJTSA-N 1 0 305.287 2.481 10 0 DEAERO CCCN1CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724097486 777240185 /nfs/dbraw/zinc/24/01/85/777240185.db2.gz XOLSRTSIYMSWSO-VHSXEESVSA-N 1 0 304.303 2.009 10 0 DEAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724110630 777241996 /nfs/dbraw/zinc/24/19/96/777241996.db2.gz RMZNUOKKXNWXCS-ZOZBQHSOSA-N 1 0 305.287 2.337 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000724106142 777242029 /nfs/dbraw/zinc/24/20/29/777242029.db2.gz XHZZCENPNFBWLC-UONOGXRCSA-N 1 0 312.454 2.432 10 0 DEAERO COC1(C)CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724111041 777242982 /nfs/dbraw/zinc/24/29/82/777242982.db2.gz LBFOPVUJAJBBEE-JTQLQIEISA-N 1 0 305.287 2.436 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CCN1C ZINC000724119901 777246239 /nfs/dbraw/zinc/24/62/39/777246239.db2.gz NVOLQXQOYNVTKY-LXTVHRRPSA-N 1 0 311.470 2.362 10 0 DEAERO CCO[C@H]1CCC[C@@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000724625484 777407938 /nfs/dbraw/zinc/40/79/38/777407938.db2.gz DDNAHVOHFVLJFS-RDBSUJKOSA-N 1 0 314.426 2.475 10 0 DEAERO CCO[C@H]1CCC[C@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000724625483 777408180 /nfs/dbraw/zinc/40/81/80/777408180.db2.gz DDNAHVOHFVLJFS-IHRRRGAJSA-N 1 0 314.426 2.475 10 0 DEAERO C[C@H](CCOCc1ccccc1)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724629156 777411418 /nfs/dbraw/zinc/41/14/18/777411418.db2.gz QPSHZNPFKLKTQG-DDBAPUKQSA-N 1 0 305.418 2.375 10 0 DEAERO Cc1nc(C)c(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)[nH]1 ZINC000724785299 777474113 /nfs/dbraw/zinc/47/41/13/777474113.db2.gz SZURBYPFIYYHNP-SNVBAGLBSA-N 1 0 308.426 2.372 10 0 DEAERO COc1ccc(C[NH2+][C@@H]2CC23CC(O)C3)c(Br)c1 ZINC000724948527 777532402 /nfs/dbraw/zinc/53/24/02/777532402.db2.gz YEHUVZKTJKCPDD-IWXRYERYSA-N 1 0 312.207 2.461 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]Cc1nccn1C1CC1 ZINC000725000465 777550277 /nfs/dbraw/zinc/55/02/77/777550277.db2.gz VOHYSBSPGCYZCT-ZDUSSCGKSA-N 1 0 306.410 2.317 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)N=c1sccn1Cc1ccccc1F ZINC000588595298 777568288 /nfs/dbraw/zinc/56/82/88/777568288.db2.gz VPSCBOYVFLOENR-LLVKDONJSA-N 1 0 307.394 2.292 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000725115026 777588777 /nfs/dbraw/zinc/58/87/77/777588777.db2.gz RMLOLGNSSZUVMV-UHFFFAOYSA-N 1 0 302.465 2.033 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000722563709 778783297 /nfs/dbraw/zinc/78/32/97/778783297.db2.gz AVESXXMJBLYCPO-UFBFGSQYSA-N 1 0 302.465 2.092 10 0 DEAERO Cn1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1 ZINC000721844189 780253362 /nfs/dbraw/zinc/25/33/62/780253362.db2.gz DAKPRZOYSZQLAR-CYBMUJFWSA-N 1 0 308.426 2.155 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cnn(C)c1 ZINC000721863107 780405767 /nfs/dbraw/zinc/40/57/67/780405767.db2.gz HXPMLMIPCNAVQY-YRGRVCCFSA-N 1 0 308.426 2.326 10 0 DEAERO CCc1ccc([C@@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)s1 ZINC000721262332 781074771 /nfs/dbraw/zinc/07/47/71/781074771.db2.gz TUKCETQQPZUGRQ-BXUZGUMPSA-N 1 0 317.476 2.165 10 0 DEAERO COc1cccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC000721885007 781532014 /nfs/dbraw/zinc/53/20/14/781532014.db2.gz WOFJXFUXLDSSGI-TZMCWYRMSA-N 1 0 321.421 2.435 10 0 DEAERO Cn1nc(Br)cc1C[NH2+]CC[C@@H]1CCSC1 ZINC000704810572 783480430 /nfs/dbraw/zinc/48/04/30/783480430.db2.gz BVKJSEARMJBDEP-SECBINFHSA-N 1 0 304.257 2.415 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)CC2CC(O)C2)cc1C ZINC000190197620 786175330 /nfs/dbraw/zinc/17/53/30/786175330.db2.gz WBFRWCYBFKQMIX-HPUBIQBYSA-N 1 0 304.434 2.183 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC(=O)N(C)C2)CN1Cc1ccccc1 ZINC000723581524 787344524 /nfs/dbraw/zinc/34/45/24/787344524.db2.gz LIJBJCZMWNAULT-NXHRZFHOSA-N 1 0 315.461 2.107 10 0 DEAERO CO[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1(C)C ZINC000724043314 787347862 /nfs/dbraw/zinc/34/78/62/787347862.db2.gz VEHYSIGIRQBGIN-MRTMQBJTSA-N 1 0 305.287 2.338 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+][C@@H](CO)C2CCC2)C1 ZINC000724086045 787349584 /nfs/dbraw/zinc/34/95/84/787349584.db2.gz WUOXCXZKYKDTAQ-YUELXQCFSA-N 1 0 312.454 2.430 10 0 DEAERO CC(C)O[C@@H]1CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724115622 787349776 /nfs/dbraw/zinc/34/97/76/787349776.db2.gz SHIQRFMVAABGCI-NXEZZACHSA-N 1 0 305.287 2.434 10 0 DEAERO C[C@H]1CC(C[NH2+]Cc2cc(Br)nn2C)C[C@H](C)O1 ZINC000724258372 787350905 /nfs/dbraw/zinc/35/09/05/787350905.db2.gz DONVDRFZVOHXEO-UWVGGRQHSA-N 1 0 316.243 2.476 10 0 DEAERO CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)C(C)(C)O1 ZINC000724312997 787351176 /nfs/dbraw/zinc/35/11/76/787351176.db2.gz PRWRRJWDUJOBQQ-WVMKXHBISA-N 1 0 301.452 2.030 10 0 DEAERO COC(=O)/C(C)=C/CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000393903901 789600077 /nfs/dbraw/zinc/60/00/77/789600077.db2.gz JXZZCJYMZDWSIM-FVLHSZHDSA-N 1 0 302.418 2.312 10 0 DEAERO CN1CC[C@@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000712594185 792192088 /nfs/dbraw/zinc/19/20/88/792192088.db2.gz GWYIOEXTDJRFEH-GHMZBOCLSA-N 1 0 319.232 2.027 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[NH2+]CCC1(C)C ZINC000712516529 792192545 /nfs/dbraw/zinc/19/25/45/792192545.db2.gz ZYHQOLRRYBDTQF-UHFFFAOYSA-N 1 0 316.854 2.411 10 0 DEAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2cc(Br)cs2)C1 ZINC000713051659 792211954 /nfs/dbraw/zinc/21/19/54/792211954.db2.gz HSGVNOXJINJTDA-LPBBDHJYSA-N 1 0 315.236 2.254 10 0 DEAERO CN(C(=O)CC(F)(F)C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000713184682 792215249 /nfs/dbraw/zinc/21/52/49/792215249.db2.gz KLUQVKNDXPNRQT-JVHMLUBASA-N 1 0 300.271 2.316 10 0 DEAERO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH2+]CCC12CCC2 ZINC000713218420 792217036 /nfs/dbraw/zinc/21/70/36/792217036.db2.gz VKNJNHFRHTZCJA-UHFFFAOYSA-N 1 0 314.838 2.247 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713855674 792262172 /nfs/dbraw/zinc/26/21/72/792262172.db2.gz XEZRIGYLTRATCU-JQWIXIFHSA-N 1 0 317.216 2.316 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H](CO)C2CCC2)C1 ZINC000714243150 792304897 /nfs/dbraw/zinc/30/48/97/792304897.db2.gz OIHBUUMYUJVDEK-UKRRQHHQSA-N 1 0 312.454 2.384 10 0 DEAERO O=S1(=O)CCC[C@@H]1CCNCc1occc1Br ZINC000714358905 792311322 /nfs/dbraw/zinc/31/13/22/792311322.db2.gz FYBXUADNZRFULW-SECBINFHSA-N 1 0 322.224 2.099 10 0 DEAERO COC[C@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000714483615 792322147 /nfs/dbraw/zinc/32/21/47/792322147.db2.gz FXHGLBKEQSQCTE-GDLCADMTSA-N 1 0 314.223 2.497 10 0 DEAERO CCCn1cc(CNC(C)(C)CNC(=O)OC(C)(C)C)nn1 ZINC000714487948 792323827 /nfs/dbraw/zinc/32/38/27/792323827.db2.gz OLKCDAQAJCFVMD-UHFFFAOYSA-N 1 0 311.430 2.081 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC([NH3+])(CC)CC2)s1 ZINC000714759746 792334986 /nfs/dbraw/zinc/33/49/86/792334986.db2.gz SDNXLSNEBRTLMR-UHFFFAOYSA-N 1 0 302.465 2.203 10 0 DEAERO CC(C)(C)[NH2+]CCC(=O)NCc1ncc(Br)s1 ZINC000714934532 792359560 /nfs/dbraw/zinc/35/95/60/792359560.db2.gz HBLOSYFCZWVUGT-UHFFFAOYSA-N 1 0 320.256 2.300 10 0 DEAERO [NH3+]CCCCCC(=O)NCc1ncc(Br)s1 ZINC000714942638 792360588 /nfs/dbraw/zinc/36/05/88/792360588.db2.gz GRQNTFFHJYUEOO-UHFFFAOYSA-N 1 0 306.229 2.041 10 0 DEAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]Cc2ccc[nH]c2=O)C1 ZINC000714956491 792376111 /nfs/dbraw/zinc/37/61/11/792376111.db2.gz GUHKKUUNVHLAPL-UHFFFAOYSA-N 1 0 307.394 2.180 10 0 DEAERO Cc1c(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cnn1C ZINC000715081419 792381364 /nfs/dbraw/zinc/38/13/64/792381364.db2.gz QOHQEEWSFBPGDA-MQMHXKEQSA-N 1 0 308.426 2.121 10 0 DEAERO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)c1cn(C)nn1 ZINC000715876514 792529290 /nfs/dbraw/zinc/52/92/90/792529290.db2.gz HWYLXYCKVJRRNM-WCFLWFBJSA-N 1 0 323.441 2.158 10 0 DEAERO C[C@@H](NC(=O)c1nscc1Br)C1CC[NH2+]CC1 ZINC000716545990 792978901 /nfs/dbraw/zinc/97/89/01/792978901.db2.gz NKJIVJMLBFCZTF-SSDOTTSWSA-N 1 0 318.240 2.024 10 0 DEAERO Cc1c(C[NH3+])c(NC(=O)c2cscc2C(F)F)nn1C ZINC000717243793 799276727 /nfs/dbraw/zinc/27/67/27/799276727.db2.gz ZRVGCBCNCUCCBD-UHFFFAOYSA-N 1 0 300.334 2.439 10 0 DEAERO Cn1cc(C[NH2+]CC[C@@H]2CC(C)(C)CO2)c(Br)n1 ZINC000717350441 799381285 /nfs/dbraw/zinc/38/12/85/799381285.db2.gz ZTJYETSSYWDMGO-LLVKDONJSA-N 1 0 316.243 2.477 10 0 DEAERO C[C@H](CCCO)[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401722426 801846074 /nfs/dbraw/zinc/84/60/74/801846074.db2.gz BFDDDCOVUIVCGW-MGPQQGTHSA-N 1 0 300.443 2.383 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000403605116 801954850 /nfs/dbraw/zinc/95/48/50/801954850.db2.gz SPKUWRSNBGLWBK-APYLGABCSA-N 1 0 303.493 2.358 10 0 DEAERO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nn1 ZINC000404432357 802020022 /nfs/dbraw/zinc/02/00/22/802020022.db2.gz OECXKLZYSASEBW-GXTWGEPZSA-N 1 0 323.441 2.033 10 0 DEAERO CCN1CC[NH+](CCCCCNC(=O)c2cccs2)CC1 ZINC000041535820 1078282172 /nfs/dbraw/zinc/28/21/72/1078282172.db2.gz LVCJKORXNSRWNU-UHFFFAOYSA-N 1 0 309.479 2.286 10 0 DEAERO c1ccc(N2CCOCC2)c(CNCC[NH+]2CCCCCC2)c1 ZINC000066971038 1079866967 /nfs/dbraw/zinc/86/69/67/1079866967.db2.gz ZINBFRUFTQMQBZ-UHFFFAOYSA-N 1 0 317.477 2.489 10 0 DEAERO CC(=O)NC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067203489 1079878146 /nfs/dbraw/zinc/87/81/46/1079878146.db2.gz FJBMPUTWGONVJF-MRXNPFEDSA-N 1 0 323.481 2.062 10 0 DEAERO CC(=O)N1CCC([NH2+]CCCc2nc3ccccc3[nH]2)CC1 ZINC000073136743 1080172746 /nfs/dbraw/zinc/17/27/46/1080172746.db2.gz PPXOEYNYWVGJCI-UHFFFAOYSA-N 1 0 300.406 2.096 10 0 DEAERO CC[NH+](CC)CCCN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000191808706 1081403607 /nfs/dbraw/zinc/40/36/07/1081403607.db2.gz ZDAMZHXMVGCRLF-CVEARBPZSA-N 1 0 310.438 2.136 10 0 DEAERO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cn(C)nc1Br ZINC000720668136 1085836563 /nfs/dbraw/zinc/83/65/63/1085836563.db2.gz AGRNURYHRWGNPL-UWVGGRQHSA-N 1 0 302.216 2.087 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccncc1Br ZINC000720830672 1086186846 /nfs/dbraw/zinc/18/68/46/1086186846.db2.gz SBQWAQIFNXHVIA-OLZOCXBDSA-N 1 0 324.222 2.153 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc(Cl)nc(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000700770186 1086335414 /nfs/dbraw/zinc/33/54/14/1086335414.db2.gz OWEQUFSUBKKUOU-AMIZOPFISA-N 1 0 302.205 2.445 10 0 DEAERO Cc1cc(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)on1 ZINC000701925380 1086396340 /nfs/dbraw/zinc/39/63/40/1086396340.db2.gz UGVQXAKJTVKBFR-UHFFFAOYSA-N 1 0 307.394 2.472 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000702289422 1086421657 /nfs/dbraw/zinc/42/16/57/1086421657.db2.gz FFQMPJAOYMAOAK-SNVBAGLBSA-N 1 0 313.195 2.271 10 0 DEAERO C[NH+](C)C[C@H](N)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000702415602 1086431944 /nfs/dbraw/zinc/43/19/44/1086431944.db2.gz WAUKSZMQFYDRCC-KRWDZBQOSA-N 1 0 313.401 2.093 10 0 DEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1nc(Cl)ccc1Cl)C2 ZINC000702409835 1086432204 /nfs/dbraw/zinc/43/22/04/1086432204.db2.gz SQFQSLISJBSCDB-OKILXGFUSA-N 1 0 314.216 2.460 10 0 DEAERO Cc1ccc(Br)c(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703549625 1086515490 /nfs/dbraw/zinc/51/54/90/1086515490.db2.gz JPWDJMJKDLHIBR-XHDPSFHLSA-N 1 0 323.234 2.439 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC000709819209 1086684438 /nfs/dbraw/zinc/68/44/38/1086684438.db2.gz GLSQJUBZVOVVFQ-QWRGUYRKSA-N 1 0 306.353 2.010 10 0 DEAERO CC(C)C[C@@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)N(C)C ZINC000710871865 1086689797 /nfs/dbraw/zinc/68/97/97/1086689797.db2.gz BZYNJOWAEKBCES-HNNXBMFYSA-N 1 0 313.486 2.419 10 0 DEAERO Cc1ccc(CC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)nc1 ZINC000710938146 1086691383 /nfs/dbraw/zinc/69/13/83/1086691383.db2.gz LSSUVHPMIPVXIG-UHFFFAOYSA-N 1 0 305.422 2.389 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000710957195 1086691572 /nfs/dbraw/zinc/69/15/72/1086691572.db2.gz CRMNFEOCFQDTLN-UTUOFQBUSA-N 1 0 302.415 2.029 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C ZINC000710972299 1086692761 /nfs/dbraw/zinc/69/27/61/1086692761.db2.gz XFNDFOUMGFLSQN-CHWSQXEVSA-N 1 0 316.442 2.421 10 0 DEAERO C[C@@H](C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C[C@H](C)O ZINC000711448737 1087117162 /nfs/dbraw/zinc/11/71/62/1087117162.db2.gz FOAKLLMLOROOBB-RQJABVFESA-N 1 0 300.443 2.286 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000711644373 1087185217 /nfs/dbraw/zinc/18/52/17/1087185217.db2.gz FOOJOOBXWMIAGW-ZIAGYGMSSA-N 1 0 314.838 2.211 10 0 DEAERO CC(C)(C)OC(=O)N1CC([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000711840639 1087206394 /nfs/dbraw/zinc/20/63/94/1087206394.db2.gz OGSICFFWJSCUGA-ZFWWWQNUSA-N 1 0 310.438 2.401 10 0 DEAERO CN(C)C(=O)N1CCC([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000718199283 1088415118 /nfs/dbraw/zinc/41/51/18/1088415118.db2.gz BXLJMVHIMLQCLS-UHFFFAOYSA-N 1 0 302.831 2.032 10 0 DEAERO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000718350510 1088487741 /nfs/dbraw/zinc/48/77/41/1088487741.db2.gz FJZFZIFHUTWDQX-MGPQQGTHSA-N 1 0 314.426 2.475 10 0 DEAERO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)[C@@H](c1ccccc1)N(C)C ZINC000606444846 1088604866 /nfs/dbraw/zinc/60/48/66/1088604866.db2.gz HTVPELCZIKEKEK-YOEHRIQHSA-N 1 0 324.490 2.092 10 0 DEAERO COCC(C)(C)CC[NH2+]Cc1cn(C)nc1Br ZINC000718724414 1088634969 /nfs/dbraw/zinc/63/49/69/1088634969.db2.gz AZEHIEAKEHJGFA-UHFFFAOYSA-N 1 0 304.232 2.335 10 0 DEAERO Cc1nc(C[NH2+][C@H]2CCCN(C)C2)sc1Br ZINC000719304560 1088942107 /nfs/dbraw/zinc/94/21/07/1088942107.db2.gz HJAHOXRLTOGZFF-VIFPVBQESA-N 1 0 304.257 2.398 10 0 DEAERO C[C@@H]1[C@@H](NC(=O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000719384319 1089076710 /nfs/dbraw/zinc/07/67/10/1089076710.db2.gz CUCAITFCPATXBO-PELKAZGASA-N 1 0 315.186 2.411 10 0 DEAERO C[C@H]1[C@H](NC(=O)c2ccsc2Br)CC[N@@H+]1C ZINC000719399081 1089085992 /nfs/dbraw/zinc/08/59/92/1089085992.db2.gz YXJBYFNBIUOVFU-IONNQARKSA-N 1 0 303.225 2.333 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CCN1C ZINC000719577832 1089311516 /nfs/dbraw/zinc/31/15/16/1089311516.db2.gz DGHOZQJWALICOU-QLFBSQMISA-N 1 0 311.470 2.458 10 0 DEAERO C[C@H]1[C@@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CCN1C ZINC000719583453 1089313212 /nfs/dbraw/zinc/31/32/12/1089313212.db2.gz PYCCGMDXKWFILU-ZFWWWQNUSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)CN1C1CC1 ZINC000720248383 1089538969 /nfs/dbraw/zinc/53/89/69/1089538969.db2.gz GFJBMXSBNKMOIY-BDAKNGLRSA-N 1 0 302.287 2.373 10 0 DEAERO S=C(NC1CCCCC1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720444853 1089940363 /nfs/dbraw/zinc/94/03/63/1089940363.db2.gz AXMQCOWWKUJQBS-UONOGXRCSA-N 1 0 313.536 2.363 10 0 DEAERO C[C@H]1[C@H](Nc2ccc(I)cn2)CC[N@@H+]1C ZINC000719781261 1091512371 /nfs/dbraw/zinc/51/23/71/1091512371.db2.gz KIRCIWKDENIURI-WCBMZHEXSA-N 1 0 317.174 2.191 10 0 DEAERO NC(=O)c1ccccc1NC(=O)CCc1[nH+]cc2ccccn21 ZINC000074623735 185003432 /nfs/dbraw/zinc/00/34/32/185003432.db2.gz KLODSBLEPXEQPC-UHFFFAOYSA-N 1 0 308.341 2.005 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NCCc2ccccn2)CC1 ZINC000136666284 282089189 /nfs/dbraw/zinc/08/91/89/282089189.db2.gz TXCLKLMUKOXQJZ-UHFFFAOYSA-N 1 0 304.438 2.044 10 0 DEAERO CC[NH2+][C@@H](CSCCS(C)(=O)=O)c1ccccc1C ZINC000081768884 192322238 /nfs/dbraw/zinc/32/22/38/192322238.db2.gz LRGFZHKAAZHUFQ-AWEZNQCLSA-N 1 0 301.477 2.423 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2OC[C@H]1Sc1nnc(N(C)C)s1 ZINC000081769400 192323174 /nfs/dbraw/zinc/32/31/74/192323174.db2.gz VQKDAHAGDUIFMJ-VXGBXAGGSA-N 1 0 322.459 2.418 10 0 DEAERO C[C@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)C[C@@H]1[NH3+] ZINC000423967451 230579676 /nfs/dbraw/zinc/57/96/76/230579676.db2.gz XLKWXWRDZXHNLQ-KWQFWETISA-N 1 0 303.189 2.178 10 0 DEAERO C[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1Sc1nnnn1C ZINC000081843549 192330831 /nfs/dbraw/zinc/33/08/31/192330831.db2.gz DPADGHGQEFLLGN-IHRRRGAJSA-N 1 0 303.435 2.227 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1Sc1ncccn1)OCCO2 ZINC000081871399 192332758 /nfs/dbraw/zinc/33/27/58/192332758.db2.gz OAMNSCFPVOFWHM-STQMWFEESA-N 1 0 309.435 2.233 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1Sc1nnc2n1CCCCC2 ZINC000081865859 192332970 /nfs/dbraw/zinc/33/29/70/192332970.db2.gz FQFKAAFGJGMGJC-OLZOCXBDSA-N 1 0 310.467 2.254 10 0 DEAERO C[NH2+][C@H]1c2ccccc2OC[C@H]1Sc1nc(C)cc(=O)[nH]1 ZINC000081868629 192333493 /nfs/dbraw/zinc/33/34/93/192333493.db2.gz CBUBRGHCHFNFON-OCCSQVGLSA-N 1 0 303.387 2.304 10 0 DEAERO CC[NH2+][C@@H]1CCOC[C@@H]1Sc1nc2cc(OC)ccc2[nH]1 ZINC000081866011 192333523 /nfs/dbraw/zinc/33/35/23/192333523.db2.gz UOMLQDGHYMJAKF-OCCSQVGLSA-N 1 0 307.419 2.431 10 0 DEAERO CC[NH2+][C@H](CSc1n[nH]c(=O)n1CC)c1ccc(C)cc1 ZINC000081880018 192333824 /nfs/dbraw/zinc/33/38/24/192333824.db2.gz PEIQDUVOVBNJRG-CYBMUJFWSA-N 1 0 306.435 2.343 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1SC1CCOCC1)OCCO2 ZINC000081891623 192334495 /nfs/dbraw/zinc/33/44/95/192334495.db2.gz DRGJSNRLDWBMKS-ZIAGYGMSSA-N 1 0 301.452 2.172 10 0 DEAERO CC(C)Cc1ccc([C@@H]([NH3+])CSc2n[nH]c(=O)n2C)cc1 ZINC000081880343 192334594 /nfs/dbraw/zinc/33/45/94/192334594.db2.gz MFGJRCJYYQNJEG-ZDUSSCGKSA-N 1 0 306.435 2.099 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1Sc1n[nH]c(=O)n1C(C)C ZINC000081879400 192334640 /nfs/dbraw/zinc/33/46/40/192334640.db2.gz VFTXRVJCLMTHTC-CHWSQXEVSA-N 1 0 304.419 2.130 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1Sc1cnccn1)OCCO2 ZINC000081885706 192334731 /nfs/dbraw/zinc/33/47/31/192334731.db2.gz FFRHQGULVYSNPU-QWHCGFSZSA-N 1 0 309.435 2.233 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(CCOC)Cc2ccc(C)o2)C1 ZINC000151451472 282117153 /nfs/dbraw/zinc/11/71/53/282117153.db2.gz CFXGMUNWFRKRSD-OAHLLOKOSA-N 1 0 323.437 2.230 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)c1cccs1)c1cccc(OC)c1 ZINC000081926980 192339545 /nfs/dbraw/zinc/33/95/45/192339545.db2.gz WMUJDQIHFHHJRY-CYBMUJFWSA-N 1 0 311.428 2.491 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)C(C)(C)C)c1ccc2c(c1)OCO2 ZINC000081924297 192339993 /nfs/dbraw/zinc/33/99/93/192339993.db2.gz BXWBBRDTZRBBEI-LBPRGKRZSA-N 1 0 313.419 2.279 10 0 DEAERO Cc1ccc(NC(=O)CSCC[NH3+])cc1Br ZINC000096751701 185386295 /nfs/dbraw/zinc/38/62/95/185386295.db2.gz XQOZIYXUNPEDCG-UHFFFAOYSA-N 1 0 303.225 2.388 10 0 DEAERO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCC1=CCCC1 ZINC000152115763 282135043 /nfs/dbraw/zinc/13/50/43/282135043.db2.gz JLYRXFHKLVSBML-UHFFFAOYSA-N 1 0 322.497 2.154 10 0 DEAERO CC[C@H]([NH3+])[C@H](C)S(=O)(=O)c1ccc(Br)cc1 ZINC000081933360 192341329 /nfs/dbraw/zinc/34/13/29/192341329.db2.gz MOVUGOIGTAQIDA-KWQFWETISA-N 1 0 306.225 2.349 10 0 DEAERO C[NH2+][C@@H]1CCC[C@H]1S(=O)(=O)c1ccc(Br)cc1 ZINC000081933396 192341483 /nfs/dbraw/zinc/34/14/83/192341483.db2.gz CERPDEJWLOIVLO-VXGBXAGGSA-N 1 0 318.236 2.363 10 0 DEAERO CS[C@H]1CN(C(=O)CCOCC(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000361632694 295670583 /nfs/dbraw/zinc/67/05/83/295670583.db2.gz UJVIGRPSEGOOAG-GJZGRUSLSA-N 1 0 314.495 2.087 10 0 DEAERO CCC[NH2+][C@@H](C)[C@H](C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935180 192343171 /nfs/dbraw/zinc/34/31/71/192343171.db2.gz UUXGNSZTZYKAKC-RYUDHWBXSA-N 1 0 313.419 2.008 10 0 DEAERO CC(=O)c1ccc(N2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000078941784 185132605 /nfs/dbraw/zinc/13/26/05/185132605.db2.gz WBEULPPNPAILMP-UHFFFAOYSA-N 1 0 309.841 2.226 10 0 DEAERO C[C@H](O)c1ccc(N2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000078944579 185133420 /nfs/dbraw/zinc/13/34/20/185133420.db2.gz WWHORFDMWKGBHZ-ZDUSSCGKSA-N 1 0 311.857 2.077 10 0 DEAERO COc1ccccc1C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)C(C)C ZINC000152489192 282146368 /nfs/dbraw/zinc/14/63/68/282146368.db2.gz AGOIDRAWWODLBB-CVEARBPZSA-N 1 0 304.434 2.473 10 0 DEAERO CC(C)[C@H]1CCC[N@H+](CCC(=O)N(C)CCC(N)=S)CC1 ZINC000079342483 185165920 /nfs/dbraw/zinc/16/59/20/185165920.db2.gz JPODAQSZHMXIBQ-AWEZNQCLSA-N 1 0 313.511 2.269 10 0 DEAERO CC[C@@H](CC[NH3+])CCC(=O)N(CCC(=O)OC)CC(C)C ZINC000079210507 185161536 /nfs/dbraw/zinc/16/15/36/185161536.db2.gz PDFSIQPCEUAVAM-CQSZACIVSA-N 1 0 300.443 2.189 10 0 DEAERO c1c[nH]c(CN2CCN(Cc3nc(-c4ccccc4)co3)CC2)n1 ZINC000152960280 282158240 /nfs/dbraw/zinc/15/82/40/282158240.db2.gz NKBFZUAPPXBECZ-UHFFFAOYSA-N 1 0 323.400 2.383 10 0 DEAERO C[C@@]1(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)CCC[NH2+]1 ZINC000079516638 185173753 /nfs/dbraw/zinc/17/37/53/185173753.db2.gz NAZWUCWUXTZUIY-BBRMVZONSA-N 1 0 308.447 2.398 10 0 DEAERO C[C@]1(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)CCC[NH2+]1 ZINC000079516636 185173804 /nfs/dbraw/zinc/17/38/04/185173804.db2.gz NAZWUCWUXTZUIY-XJKSGUPXSA-N 1 0 308.447 2.398 10 0 DEAERO C[C@@]1(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CCC[NH2+]1 ZINC000079518130 185173906 /nfs/dbraw/zinc/17/39/06/185173906.db2.gz PNYPDNJPDJZHRM-HOCLYGCPSA-N 1 0 308.809 2.382 10 0 DEAERO CC(C)(C)[C@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)CCO1 ZINC000333557447 282954371 /nfs/dbraw/zinc/95/43/71/282954371.db2.gz KZXKDKOWBIHWQH-HUUCEWRRSA-N 1 0 323.481 2.365 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000082311640 185175239 /nfs/dbraw/zinc/17/52/39/185175239.db2.gz DYXWBNDRIGTFNE-KRWDZBQOSA-N 1 0 319.424 2.349 10 0 DEAERO C[N@@H+]1CCC[C@H]1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000082315046 185175312 /nfs/dbraw/zinc/17/53/12/185175312.db2.gz NSNQGSGWDYZYRR-HNNXBMFYSA-N 1 0 321.852 2.473 10 0 DEAERO CC[C@@H]1C[N@H+](CCC(=O)NC2CCCC2)CCN1CC(F)F ZINC000153378151 282168410 /nfs/dbraw/zinc/16/84/10/282168410.db2.gz MJTXWNYZLSWPMY-CQSZACIVSA-N 1 0 317.424 2.097 10 0 DEAERO CC[C@]1(CO)CCCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000190286468 529420969 /nfs/dbraw/zinc/42/09/69/529420969.db2.gz IFNWKXOQZWJHCG-WBVHZDCISA-N 1 0 313.486 2.157 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)c1cnn2c1CCCC2)C1CCCCC1 ZINC000126952879 282179879 /nfs/dbraw/zinc/17/98/79/282179879.db2.gz XIGLVBYIPFMDNU-KRWDZBQOSA-N 1 0 318.465 2.460 10 0 DEAERO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C/C=C/c2ccco2)cn1 ZINC000328656933 231293158 /nfs/dbraw/zinc/29/31/58/231293158.db2.gz ZVFDBEAXWXLPBU-FKFXUJFPSA-N 1 0 300.362 2.476 10 0 DEAERO COc1cc(OC)cc([C@@H]2CC[N@H+](CCN3CCCC3=O)C2)c1 ZINC000083252239 185221653 /nfs/dbraw/zinc/22/16/53/185221653.db2.gz IDTKENKVUARWAH-CQSZACIVSA-N 1 0 318.417 2.116 10 0 DEAERO [NH3+]C[C@H](c1cccc(Br)c1)[C@@H](O)[C@@H]1CCCOC1 ZINC000087379044 185223146 /nfs/dbraw/zinc/22/31/46/185223146.db2.gz FRLFHMUZZJLVIR-BNOWGMLFSA-N 1 0 314.223 2.279 10 0 DEAERO CCC[C@H](C[NH3+])NC(=O)c1ccc(Br)cc1F ZINC000087387521 185223366 /nfs/dbraw/zinc/22/33/66/185223366.db2.gz PTZXHKVEVVVTJP-SECBINFHSA-N 1 0 303.175 2.445 10 0 DEAERO CC(C)[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000087404594 185223726 /nfs/dbraw/zinc/22/37/26/185223726.db2.gz LGKFKJCJRRUXTD-LLVKDONJSA-N 1 0 311.234 2.255 10 0 DEAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000087403886 185223752 /nfs/dbraw/zinc/22/37/52/185223752.db2.gz IMZOTWRSGCZYCM-MRVPVSSYSA-N 1 0 311.234 2.399 10 0 DEAERO COc1ccc(C(=O)N[C@@H](C[NH3+])C(C)C)cc1Br ZINC000087403432 185223927 /nfs/dbraw/zinc/22/39/27/185223927.db2.gz NOZWEVTYDHUVGL-NSHDSACASA-N 1 0 315.211 2.171 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000087531928 185227676 /nfs/dbraw/zinc/22/76/76/185227676.db2.gz NYGSURUKTSSDLK-LBPRGKRZSA-N 1 0 300.349 2.322 10 0 DEAERO CCC[C@@H](C[NH3+])c1nc(-c2ccc(S(C)(=O)=O)cc2)c[nH]1 ZINC000087537000 185228139 /nfs/dbraw/zinc/22/81/39/185228139.db2.gz CEKWUTHYKFYLIH-LBPRGKRZSA-N 1 0 307.419 2.323 10 0 DEAERO COC(=O)C[C@@H](NC(=O)C(C)(C)C(C)(C)[NH3+])c1cccs1 ZINC000087627652 185229593 /nfs/dbraw/zinc/22/95/93/185229593.db2.gz GIOQSOPJZYMJQX-SNVBAGLBSA-N 1 0 312.435 2.232 10 0 DEAERO C[C@H](CC[NH3+])C(=O)Nc1ccc(I)cc1 ZINC000087635100 185229728 /nfs/dbraw/zinc/22/97/28/185229728.db2.gz PPSVGZKKDWCELB-MRVPVSSYSA-N 1 0 318.158 2.215 10 0 DEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000087694074 185230815 /nfs/dbraw/zinc/23/08/15/185230815.db2.gz MFMWIWNHVBDVQF-RYUDHWBXSA-N 1 0 312.435 2.182 10 0 DEAERO NNc1cc(Oc2ccc(Br)cc2F)nc(N)[nH+]1 ZINC000087884470 185234453 /nfs/dbraw/zinc/23/44/53/185234453.db2.gz GXZDOVDPQZQFMQ-UHFFFAOYSA-N 1 0 314.118 2.038 10 0 DEAERO C[NH2+][C@@H](Cc1cc(Br)ccc1OC)c1nnc[nH]1 ZINC000087879188 185234550 /nfs/dbraw/zinc/23/45/50/185234550.db2.gz UMEGRHPSUIDUDT-JTQLQIEISA-N 1 0 311.183 2.079 10 0 DEAERO [NH3+]C[C@@H](NC[C@H]1CCCO1)c1cc(Br)ccc1F ZINC000087928556 185237511 /nfs/dbraw/zinc/23/75/11/185237511.db2.gz UVPYHUGRURNESN-ZWNOBZJWSA-N 1 0 317.202 2.357 10 0 DEAERO COc1ccc(Br)cc1C[S@](=O)[C@@H](C)C[NH3+] ZINC000088067717 185238536 /nfs/dbraw/zinc/23/85/36/185238536.db2.gz VPLSQOFRBDTANI-ZKANADHPSA-N 1 0 306.225 2.054 10 0 DEAERO COc1cc(C)c(Br)cc1[C@H]([NH3+])CCC(N)=O ZINC000088078818 185238790 /nfs/dbraw/zinc/23/87/90/185238790.db2.gz UETLYMWEWOKOFB-SNVBAGLBSA-N 1 0 301.184 2.031 10 0 DEAERO COc1cc(C)c(Br)cc1[C@H]([NH3+])[C@@H]1COCCO1 ZINC000088078060 185238970 /nfs/dbraw/zinc/23/89/70/185238970.db2.gz XYGGRDMZEWWWLS-STQMWFEESA-N 1 0 316.195 2.181 10 0 DEAERO C[C@@H](C[NH3+])C[S@@](=O)Cc1cc(Br)ccc1F ZINC000088089802 185239364 /nfs/dbraw/zinc/23/93/64/185239364.db2.gz HASAOONSLVMPBR-PWJLMRLQSA-N 1 0 308.216 2.432 10 0 DEAERO COc1ccc(Br)c(Cn2ncc(C[NH3+])c2C)c1 ZINC000087799454 185232597 /nfs/dbraw/zinc/23/25/97/185232597.db2.gz OCZRQSOEEXSKSU-UHFFFAOYSA-N 1 0 310.195 2.470 10 0 DEAERO C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000173509858 282190882 /nfs/dbraw/zinc/19/08/82/282190882.db2.gz CBNAZHHAXRIXBD-DGCLKSJQSA-N 1 0 311.376 2.414 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc2nc(N)sc2c1 ZINC000087847659 185233408 /nfs/dbraw/zinc/23/34/08/185233408.db2.gz QNVFJSNJZIREQE-NSHDSACASA-N 1 0 304.419 2.045 10 0 DEAERO C[C@H]1CCCN(c2nc(NN)[nH+]cc2Br)CC1 ZINC000087877330 185234134 /nfs/dbraw/zinc/23/41/34/185234134.db2.gz UFRKPYDWUBZWSV-QMMMGPOBSA-N 1 0 300.204 2.151 10 0 DEAERO C[NH2+][C@H](Cc1cc(OC)ccc1Br)c1nnc[nH]1 ZINC000087879016 185234281 /nfs/dbraw/zinc/23/42/81/185234281.db2.gz HLXPAKZEIAPYPG-LLVKDONJSA-N 1 0 311.183 2.079 10 0 DEAERO CCCS(=O)(=O)Nc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000088191711 185241168 /nfs/dbraw/zinc/24/11/68/185241168.db2.gz WZNYDYKZNDVOHC-UHFFFAOYSA-N 1 0 309.313 2.141 10 0 DEAERO CN(CCc1ccccc1)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000088196222 185241431 /nfs/dbraw/zinc/24/14/31/185241431.db2.gz AMFNGOISSCMPEJ-UHFFFAOYSA-N 1 0 304.415 2.009 10 0 DEAERO COc1ccccc1C[C@@H](C)N(C)C(=O)[C@@H]([NH3+])CCSC ZINC000088200092 185241706 /nfs/dbraw/zinc/24/17/06/185241706.db2.gz MJFDGZBSFOINHH-OCCSQVGLSA-N 1 0 310.463 2.165 10 0 DEAERO O=[S@](Cc1ccc(Br)cc1F)CC1C[NH2+]C1 ZINC000088090818 185239689 /nfs/dbraw/zinc/23/96/89/185239689.db2.gz TZRFGDRWPJZWJI-MRXNPFEDSA-N 1 0 306.200 2.056 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)CCC(F)(F)F)cc1 ZINC000088432993 185249612 /nfs/dbraw/zinc/24/96/12/185249612.db2.gz ARNWEIVYHZWDFI-UHFFFAOYSA-N 1 0 324.368 2.369 10 0 DEAERO OC[C@@](CN1CCC(C(F)(F)F)CC1)([NH2+]C1CC1)C1CC1 ZINC000088439752 185250740 /nfs/dbraw/zinc/25/07/40/185250740.db2.gz OCCYZMDRVAGWHX-CQSZACIVSA-N 1 0 306.372 2.154 10 0 DEAERO Cc1nn(C)c(N2CCC[C@H](C(F)(F)F)C2)c1C[C@@H](C)[NH3+] ZINC000088439382 185250850 /nfs/dbraw/zinc/25/08/50/185250850.db2.gz YIWJSXWDVVDATR-KOLCDFICSA-N 1 0 304.360 2.397 10 0 DEAERO C[C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000088516399 185254619 /nfs/dbraw/zinc/25/46/19/185254619.db2.gz LQHIZMVKICASBZ-BBRMVZONSA-N 1 0 310.463 2.435 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000278975910 214544791 /nfs/dbraw/zinc/54/47/91/214544791.db2.gz JKYFGQJILZJNLU-WBVHZDCISA-N 1 0 317.433 2.272 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc2ccccc2n1)CS(C)(=O)=O ZINC000088519504 185254711 /nfs/dbraw/zinc/25/47/11/185254711.db2.gz OFDTXPQRYZLHTQ-HNNXBMFYSA-N 1 0 306.431 2.190 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)C2CCCCCC2)o1 ZINC000088543957 185256684 /nfs/dbraw/zinc/25/66/84/185256684.db2.gz XYBIPMDLUHCNBD-UHFFFAOYSA-N 1 0 300.424 2.342 10 0 DEAERO CCN(C(C)C)S(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088543640 185256714 /nfs/dbraw/zinc/25/67/14/185256714.db2.gz WJBJJDVUHJBRJE-UHFFFAOYSA-N 1 0 302.440 2.444 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1sc2nc(C)ccc2c1N ZINC000088639220 185260474 /nfs/dbraw/zinc/26/04/74/185260474.db2.gz HYTZTECTNFGNBB-UHFFFAOYSA-N 1 0 306.435 2.259 10 0 DEAERO CCOC(=O)[C@H]1C[NH2+]CCN1[C@@H]1CCSc2ccccc21 ZINC000088658293 185261675 /nfs/dbraw/zinc/26/16/75/185261675.db2.gz OCTVGCYMEIEBNV-ZIAGYGMSSA-N 1 0 306.431 2.060 10 0 DEAERO CCC[NH2+][C@@H](CC)c1nnc(C(C)(C)S(C)(=O)=O)s1 ZINC000088826310 185266712 /nfs/dbraw/zinc/26/67/12/185266712.db2.gz XKINNDPKOMWCAB-VIFPVBQESA-N 1 0 305.469 2.269 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)CCCOC)c1ccccc1C ZINC000081985839 192349446 /nfs/dbraw/zinc/34/94/46/192349446.db2.gz IJONQJGUSSGQPJ-MRXNPFEDSA-N 1 0 313.463 2.487 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1-n1cccn1 ZINC000090016378 185278181 /nfs/dbraw/zinc/27/81/81/185278181.db2.gz MHVQAAQSVPAWPQ-KBPBESRZSA-N 1 0 319.430 2.100 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cnc2ccsc2c1 ZINC000090025372 185278648 /nfs/dbraw/zinc/27/86/48/185278648.db2.gz HOKFBLIZPBOLCD-JOYOIKCWSA-N 1 0 303.387 2.094 10 0 DEAERO Cc1nn(C)c(C[NH2+]C[C@](C)(O)CC(C)C)c1Br ZINC000090272296 185288534 /nfs/dbraw/zinc/28/85/34/185288534.db2.gz WRZXWBQTXOPPOH-CYBMUJFWSA-N 1 0 318.259 2.378 10 0 DEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@H](O)COCc1cccs1 ZINC000090272392 185288766 /nfs/dbraw/zinc/28/87/66/185288766.db2.gz QMWSMAIDRATXLO-ZFWWWQNUSA-N 1 0 301.452 2.012 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)Cc1c(F)cccc1Cl ZINC000090331318 185291390 /nfs/dbraw/zinc/29/13/90/185291390.db2.gz NFRRSLXTRQNBRV-IXPVHAAZSA-N 1 0 310.800 2.478 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1cccc(Cl)c1 ZINC000090332913 185291496 /nfs/dbraw/zinc/29/14/96/185291496.db2.gz PMBLWQIVEMCHGV-KCPJHIHWSA-N 1 0 307.825 2.208 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1nc(-c2ccsc2)no1 ZINC000090333415 185291518 /nfs/dbraw/zinc/29/15/18/185291518.db2.gz XNSDHPFRUZFRNI-FRRDWIJNSA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)c1ccc(Br)o1 ZINC000090336301 185291714 /nfs/dbraw/zinc/29/17/14/185291714.db2.gz UJWZPCNBSBMOLU-DTWKUNHWSA-N 1 0 313.195 2.112 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1Cc1noc(-c2cccs2)n1 ZINC000090337242 185291775 /nfs/dbraw/zinc/29/17/75/185291775.db2.gz ZXMBHSHTOBCYRI-GHMZBOCLSA-N 1 0 304.419 2.228 10 0 DEAERO CCCSc1nsc(NC(=O)CSC[C@@H](C)[NH3+])n1 ZINC000090343586 185292173 /nfs/dbraw/zinc/29/21/73/185292173.db2.gz SQTDFOHMOANECH-SSDOTTSWSA-N 1 0 306.482 2.059 10 0 DEAERO [NH3+][C@H]1COC[C@H]1c1nc(-c2ccc(Br)s2)no1 ZINC000090364811 185292892 /nfs/dbraw/zinc/29/28/92/185292892.db2.gz GASXRQZMWHFCFF-RITPCOANSA-N 1 0 316.180 2.002 10 0 DEAERO CC[C@H]([NH3+])Cc1cccc(F)c1OCCCS(=O)(=O)CC ZINC000166347848 197691540 /nfs/dbraw/zinc/69/15/40/197691540.db2.gz AWCFKJGQTGDGLH-ZDUSSCGKSA-N 1 0 317.426 2.309 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000090378666 185293435 /nfs/dbraw/zinc/29/34/35/185293435.db2.gz CINDIXODOLJRCD-VXNVDRBHSA-N 1 0 308.687 2.271 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000090431444 185295992 /nfs/dbraw/zinc/29/59/92/185295992.db2.gz GATUYKIZHZQVSK-SCZZXKLOSA-N 1 0 303.189 2.475 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1CN(C)Cc1ccccc1Br ZINC000090438777 185296466 /nfs/dbraw/zinc/29/64/66/185296466.db2.gz HDSVWQMJSWERLD-GXTWGEPZSA-N 1 0 313.239 2.115 10 0 DEAERO CC(C)Oc1ccc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])cc1Cl ZINC000090588719 185305381 /nfs/dbraw/zinc/30/53/81/185305381.db2.gz RGKOLTABLDODMJ-DZGCQCFKSA-N 1 0 312.797 2.430 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(Cl)c3ncccc23)COC[C@@H]1[NH3+] ZINC000090588951 185305555 /nfs/dbraw/zinc/30/55/55/185305555.db2.gz FMFDPSNHDSRVHH-WFASDCNBSA-N 1 0 305.765 2.191 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090589944 185305595 /nfs/dbraw/zinc/30/55/95/185305595.db2.gz DSARACRUQUVKLX-DZGCQCFKSA-N 1 0 312.797 2.431 10 0 DEAERO Cc1ccc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])cc1C(F)(F)F ZINC000090601246 185306036 /nfs/dbraw/zinc/30/60/36/185306036.db2.gz IKOCEQNUWKHGEL-YPMHNXCESA-N 1 0 302.296 2.316 10 0 DEAERO O=C(NCC[C@H]1CCC[NH2+]1)c1c(F)c(F)c(F)c(F)c1F ZINC000166737046 197697943 /nfs/dbraw/zinc/69/79/43/197697943.db2.gz ODTDYLSANSUKAP-ZCFIWIBFSA-N 1 0 308.250 2.254 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Cl)cc1F ZINC000090541137 185301974 /nfs/dbraw/zinc/30/19/74/185301974.db2.gz MVEOJRZVPZBOOJ-ZWNOBZJWSA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(OC)ccc1Cl ZINC000090544072 185302144 /nfs/dbraw/zinc/30/21/44/185302144.db2.gz GCYYPKRNFAYYNS-BXUZGUMPSA-N 1 0 312.797 2.302 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCC(C(=O)OC)CC1 ZINC000179502522 282227328 /nfs/dbraw/zinc/22/73/28/282227328.db2.gz KCNWJRDAOXJHPI-GPANFISMSA-N 1 0 324.465 2.347 10 0 DEAERO CC(C)(C)[NH2+]C[C@@H](O)CS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000166610667 197695215 /nfs/dbraw/zinc/69/52/15/197695215.db2.gz QOPMLOABBASVLT-CYBMUJFWSA-N 1 0 319.854 2.004 10 0 DEAERO COc1ccc(C[S@@](=O)CC[C@@H](C)[NH3+])cc1Br ZINC000166836617 197699444 /nfs/dbraw/zinc/69/94/44/197699444.db2.gz FBYNMLBNMHGCGY-VVVCHXIZSA-N 1 0 320.252 2.444 10 0 DEAERO CC[C@](C)([C@H](O)Cc1ccc(Br)cn1)[NH+](C)C ZINC000167331711 197706784 /nfs/dbraw/zinc/70/67/84/197706784.db2.gz DHOXKZVKXBPGRV-CHWSQXEVSA-N 1 0 301.228 2.478 10 0 DEAERO CCC(CC)[C@@H](O)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000111826635 282240676 /nfs/dbraw/zinc/24/06/76/282240676.db2.gz WUHVVOFGORXEPP-CABCVRRESA-N 1 0 301.475 2.059 10 0 DEAERO Nc1nc2cc(Br)cnc2n1CC[NH+]1CCCCC1 ZINC000092575607 185326663 /nfs/dbraw/zinc/32/66/63/185326663.db2.gz SKFJNQJIPTZTAT-UHFFFAOYSA-N 1 0 324.226 2.262 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1nc(NC)ccc1Cl ZINC000092674443 185333116 /nfs/dbraw/zinc/33/31/16/185333116.db2.gz RXUKQSJWXZOGIT-NSHDSACASA-N 1 0 310.829 2.333 10 0 DEAERO C[C@H](c1cccc(Cl)c1)N(C)C(=O)CN1CCC([NH3+])CC1 ZINC000092714320 185335720 /nfs/dbraw/zinc/33/57/20/185335720.db2.gz OXXCSYHYUBDWDV-GFCCVEGCSA-N 1 0 309.841 2.283 10 0 DEAERO CCO[C@H]([C@@H](CCCS(C)(=O)=O)[NH2+]C)C1CCCCC1 ZINC000167619642 197711094 /nfs/dbraw/zinc/71/10/94/197711094.db2.gz SJZDIXGXDOWYFG-CABCVRRESA-N 1 0 305.484 2.385 10 0 DEAERO CC[NH+](CC)CC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000185105218 282260018 /nfs/dbraw/zinc/26/00/18/282260018.db2.gz DEQXYLRBXRVFNV-UHFFFAOYSA-N 1 0 300.406 2.329 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)ccc1C ZINC000092833225 185344819 /nfs/dbraw/zinc/34/48/19/185344819.db2.gz DPPLLEGLGXQBDG-UHFFFAOYSA-N 1 0 310.463 2.427 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](S(=O)(=O)CC1CCCC1)C2 ZINC000092859313 185346835 /nfs/dbraw/zinc/34/68/35/185346835.db2.gz YGXAHQSJHGNJRK-JKSUJKDBSA-N 1 0 309.431 2.225 10 0 DEAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000181399738 199290711 /nfs/dbraw/zinc/29/07/11/199290711.db2.gz YGIZUKBSADCLEB-BIMULSAOSA-N 1 0 300.196 2.250 10 0 DEAERO COCC[C@H](C)[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000181390557 199288755 /nfs/dbraw/zinc/28/87/55/199288755.db2.gz WJZITYMBTYEFID-GXFFZTMASA-N 1 0 302.212 2.497 10 0 DEAERO CCOc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000092928341 185349690 /nfs/dbraw/zinc/34/96/90/185349690.db2.gz IHCLBCXFWTWODS-GXTWGEPZSA-N 1 0 304.394 2.181 10 0 DEAERO C[C@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1cccc(Cl)c1 ZINC000181410296 199292574 /nfs/dbraw/zinc/29/25/74/199292574.db2.gz JAQOBGXXIKQZSH-JTQLQIEISA-N 1 0 309.797 2.321 10 0 DEAERO COC1(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CCC1 ZINC000181414547 199293850 /nfs/dbraw/zinc/29/38/50/199293850.db2.gz XMXJOUQKUFBIDM-HNNXBMFYSA-N 1 0 305.422 2.158 10 0 DEAERO CO[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[C@@H]1C ZINC000187672978 282288183 /nfs/dbraw/zinc/28/81/83/282288183.db2.gz QIZHFELKLMKIKY-LBDPXKHJSA-N 1 0 311.470 2.173 10 0 DEAERO COc1cccc(NC(=O)C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)c1 ZINC000188003688 282295581 /nfs/dbraw/zinc/29/55/81/282295581.db2.gz GFIDVYFXPAEOOR-SUMWQHHRSA-N 1 0 306.406 2.117 10 0 DEAERO C[N@@H+]1C[C@@H](C(=O)Nc2cccc3nccn32)[C@H](C(F)(F)F)C1 ZINC000299745609 529816738 /nfs/dbraw/zinc/81/67/38/529816738.db2.gz RJHZLCWORARJFD-NXEZZACHSA-N 1 0 312.295 2.013 10 0 DEAERO COC(=O)CC1(CC(=O)NCC[N@@H+]2CCCC[C@H]2C)CCCC1 ZINC000189093901 282307815 /nfs/dbraw/zinc/30/78/15/282307815.db2.gz KSEGFRZDVNYFMI-OAHLLOKOSA-N 1 0 324.465 2.491 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CCOCC(F)F ZINC000189476810 282310678 /nfs/dbraw/zinc/31/06/78/282310678.db2.gz HOAOAENEEHHCHE-NSHDSACASA-N 1 0 308.369 2.257 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CCOC2(CCCCC2)C1 ZINC000183759751 282306802 /nfs/dbraw/zinc/30/68/02/282306802.db2.gz DPWXBZCMVRBAJW-UHFFFAOYSA-N 1 0 303.406 2.323 10 0 DEAERO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000083249977 192367714 /nfs/dbraw/zinc/36/77/14/192367714.db2.gz GJTDGOAIMBFASW-CQSZACIVSA-N 1 0 320.433 2.362 10 0 DEAERO C[C@@H]1CSCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000190438270 282320900 /nfs/dbraw/zinc/32/09/00/282320900.db2.gz KSYOQGNPICJQFY-RYUDHWBXSA-N 1 0 324.412 2.472 10 0 DEAERO CC[NH+](CC)CCNC(=O)Cc1noc2cc(C)cc(C)c12 ZINC000170566733 197779469 /nfs/dbraw/zinc/77/94/69/197779469.db2.gz CVWWABWXICSAFP-UHFFFAOYSA-N 1 0 303.406 2.445 10 0 DEAERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000195298648 530006678 /nfs/dbraw/zinc/00/66/78/530006678.db2.gz FCIOOLZINYTXST-GOSISDBHSA-N 1 0 313.449 2.122 10 0 DEAERO C[C@@H](O)CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000085990422 539403272 /nfs/dbraw/zinc/40/32/72/539403272.db2.gz QDHVGDKGTDLCQY-NXEZZACHSA-N 1 0 308.205 2.094 10 0 DEAERO C[C@@H]1C[N@@H+](CCCNC(=O)c2scnc2C2CC2)C[C@H](C)O1 ZINC000089658634 539412239 /nfs/dbraw/zinc/41/22/39/539412239.db2.gz ZWJVZKHNUSXAGI-TXEJJXNPSA-N 1 0 323.462 2.250 10 0 DEAERO CC[NH2+][C@H](CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)o1 ZINC000061512999 190694085 /nfs/dbraw/zinc/69/40/85/190694085.db2.gz WUPDMTDVHAUEJZ-GFCCVEGCSA-N 1 0 309.391 2.201 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2ccncc2)CC[N@@H+]1C ZINC000092362425 539425414 /nfs/dbraw/zinc/42/54/14/539425414.db2.gz YJFFYYZXIORQFD-GDBMZVCRSA-N 1 0 318.465 2.483 10 0 DEAERO COC(=O)N[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)C(C)C ZINC000108157606 185503745 /nfs/dbraw/zinc/50/37/45/185503745.db2.gz CFMJMXYIHZKKLR-CQSZACIVSA-N 1 0 307.394 2.067 10 0 DEAERO Cc1cc(C)n2c(C[N@@H+]3CCC[C@H]3Cn3ccnc3)cnc2n1 ZINC000097103948 539434836 /nfs/dbraw/zinc/43/48/36/539434836.db2.gz VTDFSMPZYMXOGE-HNNXBMFYSA-N 1 0 310.405 2.207 10 0 DEAERO CSC[C@@H](C)CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000083410816 192369760 /nfs/dbraw/zinc/36/97/60/192369760.db2.gz GJQBSXDAJXSYMO-AWEZNQCLSA-N 1 0 306.475 2.423 10 0 DEAERO CCc1nnc(CN2CC[C@H](CNc3cccc(C)[nH+]3)C2)[nH]1 ZINC000181713007 199342652 /nfs/dbraw/zinc/34/26/52/199342652.db2.gz UTULSFXUANQNTR-CYBMUJFWSA-N 1 0 300.410 2.005 10 0 DEAERO COCC[N@@H+]1CCN(Cc2csc([C@H](C)OC)n2)C[C@H]1C ZINC000245473880 282390562 /nfs/dbraw/zinc/39/05/62/282390562.db2.gz QKHWXGIFJZFQNZ-OLZOCXBDSA-N 1 0 313.467 2.003 10 0 DEAERO COC1(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CCOCC1 ZINC000123181427 539464950 /nfs/dbraw/zinc/46/49/50/539464950.db2.gz NDQUHQDMPAXBJR-UHFFFAOYSA-N 1 0 301.390 2.362 10 0 DEAERO CCc1nc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cs1 ZINC000125405578 539472625 /nfs/dbraw/zinc/47/26/25/539472625.db2.gz CXPMJHAFKAEJBS-MNOVXSKESA-N 1 0 308.451 2.130 10 0 DEAERO COc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1C ZINC000111246343 185563493 /nfs/dbraw/zinc/56/34/93/185563493.db2.gz BDMZJXZTAYVUME-ZDUSSCGKSA-N 1 0 302.296 2.484 10 0 DEAERO CCO[C@H]1C[C@@H](N(C)C(=O)N[C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000333792683 282967230 /nfs/dbraw/zinc/96/72/30/282967230.db2.gz GKXHBVPWBPWVSM-ZNMIVQPWSA-N 1 0 309.454 2.118 10 0 DEAERO Cc1ccsc1C[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000127919539 539484784 /nfs/dbraw/zinc/48/47/84/539484784.db2.gz SOFPDCNPBCXFIW-UHFFFAOYSA-N 1 0 306.435 2.456 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000111373876 185590291 /nfs/dbraw/zinc/59/02/91/185590291.db2.gz UXSXYJYLASNMDZ-XHDPSFHLSA-N 1 0 314.426 2.320 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000136309715 539517399 /nfs/dbraw/zinc/51/73/99/539517399.db2.gz OPMGOGAVZBZKKI-OAHLLOKOSA-N 1 0 309.841 2.362 10 0 DEAERO O=S(=O)(c1cccc(F)c1)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000111720827 185631557 /nfs/dbraw/zinc/63/15/57/185631557.db2.gz BPVVQOJHOYBAJA-CQSZACIVSA-N 1 0 312.410 2.121 10 0 DEAERO CC(C)OC1CCC(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000151984750 539533786 /nfs/dbraw/zinc/53/37/86/539533786.db2.gz AKGJZWXIEVMVPC-CGZBRXJRSA-N 1 0 321.465 2.378 10 0 DEAERO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000615794710 362703946 /nfs/dbraw/zinc/70/39/46/362703946.db2.gz PCOMMJZSQACRJX-MNOVXSKESA-N 1 0 311.344 2.211 10 0 DEAERO CS[C@@H]1CN(C(=O)Nc2ccc(C)nc2)C[C@@H]1[NH+]1CCCC1 ZINC000615932977 362735189 /nfs/dbraw/zinc/73/51/89/362735189.db2.gz XKDHRBJJEYVZDH-LSDHHAIUSA-N 1 0 320.462 2.434 10 0 DEAERO C[C@H]1C[C@@H](N(C)CC(=O)Nc2cc(F)ccc2F)CC[N@@H+]1C ZINC000123810623 185844636 /nfs/dbraw/zinc/84/46/36/185844636.db2.gz GMSCNEWRKVPXHI-AAEUAGOBSA-N 1 0 311.376 2.318 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000333825818 282973401 /nfs/dbraw/zinc/97/34/01/282973401.db2.gz RWDQDAHDWFZKQC-SDJAHQOYSA-N 1 0 307.825 2.493 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)c[nH]1 ZINC000083550446 192372091 /nfs/dbraw/zinc/37/20/91/192372091.db2.gz RNMMSMJOTSEJAI-MWLCHTKSSA-N 1 0 312.211 2.086 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(C23CC4CC(CC(C4)C2)C3)n1 ZINC000263179817 282974347 /nfs/dbraw/zinc/97/43/47/282974347.db2.gz GPFYDQHJRFGZRE-DLUQRMLASA-N 1 0 302.422 2.114 10 0 DEAERO [NH3+]CCN1c2ccccc2CC[C@H]1S(=O)(=O)c1ccccc1 ZINC000616671175 362907511 /nfs/dbraw/zinc/90/75/11/362907511.db2.gz RUKVZKUWFXBQCA-QGZVFWFLSA-N 1 0 316.426 2.198 10 0 DEAERO CC(C)(C)OC(=O)NCCN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000616670986 362907704 /nfs/dbraw/zinc/90/77/04/362907704.db2.gz CRZLKZJZUNGBPA-ZDUSSCGKSA-N 1 0 305.422 2.149 10 0 DEAERO CSc1nnc(CCC[NH2+]Cc2cncnc2)n1CC(C)C ZINC000177559283 539630947 /nfs/dbraw/zinc/63/09/47/539630947.db2.gz VLBFFQZOQRAXGQ-UHFFFAOYSA-N 1 0 320.466 2.168 10 0 DEAERO Clc1cccc([C@@H](C[NH2+][C@H]2CCCOC2)N2CCOCC2)c1 ZINC000180536438 539645782 /nfs/dbraw/zinc/64/57/82/539645782.db2.gz VLLZNBOFTQSORI-DLBZAZTESA-N 1 0 324.852 2.482 10 0 DEAERO Cc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3[C@@H]2C)cc1Br ZINC000129990346 185926988 /nfs/dbraw/zinc/92/69/88/185926988.db2.gz AHSNNFBERXXJCP-DRZSPHRISA-N 1 0 323.234 2.437 10 0 DEAERO C[NH2+][C@H]1CCCN(Cc2cc(Br)cs2)C1=O ZINC000070600991 190908198 /nfs/dbraw/zinc/90/81/98/190908198.db2.gz WIHMIJZJEVUNRJ-JTQLQIEISA-N 1 0 303.225 2.221 10 0 DEAERO [NH3+]C[C@@H](c1ccsc1)n1cc(I)cn1 ZINC000070677195 190910551 /nfs/dbraw/zinc/91/05/51/190910551.db2.gz AJMUMGNFSWAYQB-VIFPVBQESA-N 1 0 319.171 2.097 10 0 DEAERO CCN1C(=O)CC[C@H]([NH3+])[C@@H]1c1ccc(OC)c(OC)c1Cl ZINC000070985995 190928660 /nfs/dbraw/zinc/92/86/60/190928660.db2.gz RBNAGRIXJPLYJU-HZMBPMFUSA-N 1 0 312.797 2.368 10 0 DEAERO CNC(=O)[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)C(C)C ZINC000183679891 539664577 /nfs/dbraw/zinc/66/45/77/539664577.db2.gz CBDAOXDSTMLBBK-CYBMUJFWSA-N 1 0 318.339 2.488 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(-n4cccc4)c(F)c3)C[C@@H]12 ZINC000186886674 539677207 /nfs/dbraw/zinc/67/72/07/539677207.db2.gz VNIFWVUXNFTRGZ-IIAWOOMASA-N 1 0 313.376 2.426 10 0 DEAERO Cc1cnc([C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C2CC2)s1 ZINC000185306399 539671095 /nfs/dbraw/zinc/67/10/95/539671095.db2.gz RFJAZWQZDGZHTQ-CABZTGNLSA-N 1 0 302.465 2.173 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ncc(Br)s1 ZINC000189080668 539686969 /nfs/dbraw/zinc/68/69/69/539686969.db2.gz VBOQYOBKGXRRRQ-MRVPVSSYSA-N 1 0 320.256 2.366 10 0 DEAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1CN1CCS(=O)CC1 ZINC000083751727 192381336 /nfs/dbraw/zinc/38/13/36/192381336.db2.gz OEMXMJNHLDSODS-LSDHHAIUSA-N 1 0 300.512 2.245 10 0 DEAERO C[NH2+][C@@H](Cc1ncnn1C)c1cc(Br)cs1 ZINC000083974305 192393451 /nfs/dbraw/zinc/39/34/51/192393451.db2.gz RVFVZHWQCASWED-QMMMGPOBSA-N 1 0 301.213 2.142 10 0 DEAERO CO[C@H](C)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000224202580 539729308 /nfs/dbraw/zinc/72/93/08/539729308.db2.gz KBGWVELQKDIBBO-ZJUUUORDSA-N 1 0 308.205 2.358 10 0 DEAERO C[NH2+]C1(C)CCN(S(=O)(=O)c2cc(Cl)ccc2C)CC1 ZINC000133354815 185976720 /nfs/dbraw/zinc/97/67/20/185976720.db2.gz BWRWGHCSGVJAOB-UHFFFAOYSA-N 1 0 316.854 2.411 10 0 DEAERO Clc1cnc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)s1 ZINC000225315988 539730122 /nfs/dbraw/zinc/73/01/22/539730122.db2.gz UXILHDNAEJTZIM-SNVBAGLBSA-N 1 0 309.826 2.345 10 0 DEAERO OCCCCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000229124543 539732959 /nfs/dbraw/zinc/73/29/59/539732959.db2.gz WFEQCZLJDXKUGQ-NSHDSACASA-N 1 0 322.232 2.485 10 0 DEAERO CCOC(=O)c1c(NC(=O)CC(C)(C)[NH3+])sc2c1CCC2 ZINC000084184579 192410054 /nfs/dbraw/zinc/41/00/54/192410054.db2.gz HELKFYJICZCQEG-UHFFFAOYSA-N 1 0 310.419 2.479 10 0 DEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Br)c2F)C1 ZINC000234313818 539735947 /nfs/dbraw/zinc/73/59/47/539735947.db2.gz QIEWTKDFDROZJN-SECBINFHSA-N 1 0 315.186 2.412 10 0 DEAERO CC(=O)N(CC[NH3+])c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000071701098 191009892 /nfs/dbraw/zinc/00/98/92/191009892.db2.gz KNRNOQKSKOEXIW-UHFFFAOYSA-N 1 0 307.394 2.023 10 0 DEAERO C[NH2+][C@H]1CCCN(C(=O)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000133629199 186000929 /nfs/dbraw/zinc/00/09/29/186000929.db2.gz IKBUHLUZCAXOGK-ZDUSSCGKSA-N 1 0 300.406 2.014 10 0 DEAERO CC[C@@H](CC[NH3+])CCc1nc2c(cccc2S(C)(=O)=O)[nH]1 ZINC000138168122 186014626 /nfs/dbraw/zinc/01/46/26/186014626.db2.gz LOWYTEHLLSILRZ-LLVKDONJSA-N 1 0 309.435 2.274 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CCCC[C@@H]2C)c1 ZINC000138257715 186015570 /nfs/dbraw/zinc/01/55/70/186015570.db2.gz XKJPNRGEPSFRMP-JTQLQIEISA-N 1 0 318.389 2.247 10 0 DEAERO C[NH2+][C@@H](Cc1cc(OC)ncn1)c1ccc(Br)o1 ZINC000138719060 186018181 /nfs/dbraw/zinc/01/81/81/186018181.db2.gz OZIALQVYQJBSOM-VIFPVBQESA-N 1 0 312.167 2.344 10 0 DEAERO CCCCN(C1CC1)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138739162 186018401 /nfs/dbraw/zinc/01/84/01/186018401.db2.gz QPMVRXZBPHNEAV-UHFFFAOYSA-N 1 0 318.389 2.377 10 0 DEAERO Cn1ncc(Br)c1[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000133785261 186011885 /nfs/dbraw/zinc/01/18/85/186011885.db2.gz BCBFZMJZPOKDIR-LBPRGKRZSA-N 1 0 308.179 2.166 10 0 DEAERO CC(C)[C@@H]1CCN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1 ZINC000139292747 186021081 /nfs/dbraw/zinc/02/10/81/186021081.db2.gz SQSXTDVKWPGZIN-LLVKDONJSA-N 1 0 318.389 2.090 10 0 DEAERO CC[N@@H+]1CC[C@@H](CN2C(=O)C3(CC3)N[C@H]2c2cccs2)C1 ZINC000142252892 186031764 /nfs/dbraw/zinc/03/17/64/186031764.db2.gz CAUDFLMESZBQNW-TZMCWYRMSA-N 1 0 305.447 2.053 10 0 DEAERO CCC[C@H]1N[C@H](c2ccsc2)N(C2CC[NH+](C)CC2)C1=O ZINC000141186633 186029113 /nfs/dbraw/zinc/02/91/13/186029113.db2.gz OAFJHUQGLUQZHS-CABCVRRESA-N 1 0 307.463 2.441 10 0 DEAERO CC(C)[C@H]1N[C@@H](c2ccsc2)N(C2CC[NH+](C)CC2)C1=O ZINC000141241292 186029130 /nfs/dbraw/zinc/02/91/30/186029130.db2.gz JBSTYQJZXGEZHH-HUUCEWRRSA-N 1 0 307.463 2.297 10 0 DEAERO C[C@@H]1C[N@H+](Cc2cccc3cnccc32)C[C@H]1N1CCOCC1 ZINC000248386441 539773298 /nfs/dbraw/zinc/77/32/98/539773298.db2.gz MPZQLQFGTZALJK-DNVCBOLYSA-N 1 0 311.429 2.387 10 0 DEAERO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccncc1Br ZINC000147540782 186040133 /nfs/dbraw/zinc/04/01/33/186040133.db2.gz ZNAPRQOKZVBSQL-LBPRGKRZSA-N 1 0 320.190 2.353 10 0 DEAERO Cc1c(OCc2ccc(Br)cc2)nc[nH+]c1NN ZINC000147819325 186042009 /nfs/dbraw/zinc/04/20/09/186042009.db2.gz INYXSWQXSXVFHH-UHFFFAOYSA-N 1 0 309.167 2.412 10 0 DEAERO CCC[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)c3ccccc32)C1 ZINC000147875942 186042127 /nfs/dbraw/zinc/04/21/27/186042127.db2.gz OHOXMUGKZCCHMM-BBRMVZONSA-N 1 0 309.431 2.238 10 0 DEAERO [NH3+]CC1(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)CCC1 ZINC000147905313 186042470 /nfs/dbraw/zinc/04/24/70/186042470.db2.gz ANHOKCREMHDLID-KGLIPLIRSA-N 1 0 312.479 2.019 10 0 DEAERO C[NH2+]Cc1ccc(Oc2cccc(S(C)(=O)=O)c2)nc1C ZINC000148249308 186043903 /nfs/dbraw/zinc/04/39/03/186043903.db2.gz KKVLFDVFVYCQEC-UHFFFAOYSA-N 1 0 306.387 2.305 10 0 DEAERO COc1ccnc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000247982076 539772266 /nfs/dbraw/zinc/77/22/66/539772266.db2.gz HRPVVIOBTKKGEN-DOTOQJQBSA-N 1 0 311.385 2.265 10 0 DEAERO Nc1ncc(Cl)c(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000148395517 186044593 /nfs/dbraw/zinc/04/45/93/186044593.db2.gz YXZHQKLZPGMWPJ-GFCCVEGCSA-N 1 0 304.781 2.366 10 0 DEAERO CC[C@@H]1N[C@@H](c2cccs2)N([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000144677678 186035844 /nfs/dbraw/zinc/03/58/44/186035844.db2.gz LFVQRRMQCWFHTH-VNHYZAJKSA-N 1 0 305.447 2.194 10 0 DEAERO CCCNc1nc(Cl)nc(N2CC[NH+](CC(C)C)CC2)n1 ZINC000149165283 186047729 /nfs/dbraw/zinc/04/77/29/186047729.db2.gz CMJIGGBEXDJHEY-UHFFFAOYSA-N 1 0 312.849 2.125 10 0 DEAERO CC[NH2+]Cc1sc(CS(C)(=O)=O)nc1-c1ccccc1 ZINC000149475094 186050231 /nfs/dbraw/zinc/05/02/31/186050231.db2.gz GWKMWBKTWCUYCO-UHFFFAOYSA-N 1 0 310.444 2.464 10 0 DEAERO CCNc1cc(N2CC[C@H]([NH+]3CCCC3)C2)nc(SC)n1 ZINC000149941749 186053604 /nfs/dbraw/zinc/05/36/04/186053604.db2.gz XAWNYBOULQXVTK-LBPRGKRZSA-N 1 0 307.467 2.305 10 0 DEAERO CC(C)[NH2+]C[C@@H](C)S(=O)(=O)NCCCCC(F)(F)F ZINC000149993133 186054223 /nfs/dbraw/zinc/05/42/23/186054223.db2.gz LGCIDVJMKDJTBQ-SNVBAGLBSA-N 1 0 304.378 2.025 10 0 DEAERO COc1ccc(C[C@](O)(C[NH3+])C(C)C)cc1Br ZINC000150085778 186054958 /nfs/dbraw/zinc/05/49/58/186054958.db2.gz VZMXRGDFIOGVEW-ZDUSSCGKSA-N 1 0 302.212 2.346 10 0 DEAERO CC[NH2+][C@@H](c1cnc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000150100603 186055053 /nfs/dbraw/zinc/05/50/53/186055053.db2.gz JNBCBNDLQRAHTI-XJKSGUPXSA-N 1 0 304.415 2.320 10 0 DEAERO COc1ccc(Br)c(C[C@@](O)(C[NH3+])C2CC2)c1 ZINC000150100962 186055058 /nfs/dbraw/zinc/05/50/58/186055058.db2.gz GIYSFWGWGHPDLX-CYBMUJFWSA-N 1 0 300.196 2.100 10 0 DEAERO CCC[NH2+][C@H](Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000150226634 186056205 /nfs/dbraw/zinc/05/62/05/186056205.db2.gz PMBCNXQNHULGEL-XHDPSFHLSA-N 1 0 317.401 2.310 10 0 DEAERO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000373561152 282690954 /nfs/dbraw/zinc/69/09/54/282690954.db2.gz HYZJXTNGMJCDJE-RDJZCZTQSA-N 1 0 310.401 2.193 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[C@@H](C)O ZINC000152427237 186071772 /nfs/dbraw/zinc/07/17/72/186071772.db2.gz IEDIIUBGIBVQKW-BZUAXINKSA-N 1 0 311.470 2.052 10 0 DEAERO Cc1ccc(Br)c(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000163969508 186144336 /nfs/dbraw/zinc/14/43/36/186144336.db2.gz MPLRTAFSHZLHSD-SKDRFNHKSA-N 1 0 313.195 2.202 10 0 DEAERO COCCn1ncc(Br)c1C1(F)CCC([NH3+])CC1 ZINC000163990738 186144597 /nfs/dbraw/zinc/14/45/97/186144597.db2.gz UFYHCTWPZUZKCJ-UHFFFAOYSA-N 1 0 320.206 2.358 10 0 DEAERO C[C@@H]([NH3+])CNc1ncc(Br)cc1Br ZINC000164028873 186146559 /nfs/dbraw/zinc/14/65/59/186146559.db2.gz IUHCHLQMTMYSQG-RXMQYKEDSA-N 1 0 309.005 2.366 10 0 DEAERO [NH3+]Cc1ccccc1NC(=O)CC[S@](=O)c1ccccc1 ZINC000155906172 186121796 /nfs/dbraw/zinc/12/17/96/186121796.db2.gz DBWLQLDDKNQAFM-OAQYLSRUSA-N 1 0 302.399 2.282 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1C[NH3+])[S@@](=O)c1ccccc1 ZINC000155907837 186122539 /nfs/dbraw/zinc/12/25/39/186122539.db2.gz QCAWBIDARBZNTF-QKVFXAPYSA-N 1 0 302.399 2.280 10 0 DEAERO Cc1ccc([S@](=O)CC(=O)Nc2ccccc2C[NH3+])cc1 ZINC000155914192 186123012 /nfs/dbraw/zinc/12/30/12/186123012.db2.gz AQHLMPGOJITCIH-NRFANRHFSA-N 1 0 302.399 2.200 10 0 DEAERO COc1ccc(Br)cc1C[NH2+]C[C@H](C)[S@](C)=O ZINC000159653401 186132872 /nfs/dbraw/zinc/13/28/72/186132872.db2.gz JUNMBZMVIRUHGF-HUTHGQBESA-N 1 0 320.252 2.314 10 0 DEAERO COCC[NH2+]CC(=O)Nc1c(C)cc(C)cc1Br ZINC000159660576 186133736 /nfs/dbraw/zinc/13/37/36/186133736.db2.gz LJNKRTGVVUEXGW-UHFFFAOYSA-N 1 0 315.211 2.240 10 0 DEAERO COCC[C@H]([NH3+])C(=O)Nc1c(C)cc(C)cc1Br ZINC000159673698 186134821 /nfs/dbraw/zinc/13/48/21/186134821.db2.gz CDEDHLDUEPFKKG-NSHDSACASA-N 1 0 315.211 2.368 10 0 DEAERO C[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[S@@](C)=O ZINC000159684411 186135163 /nfs/dbraw/zinc/13/51/63/186135163.db2.gz WYYNIYOEMFWOHT-SBKAZYGRSA-N 1 0 317.838 2.358 10 0 DEAERO Cc1ccc([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000164264424 186154116 /nfs/dbraw/zinc/15/41/16/186154116.db2.gz FGRTUWVHYSDVJD-BXKDBHETSA-N 1 0 318.236 2.192 10 0 DEAERO COCCn1ncc(Cl)c1C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000164327032 186156063 /nfs/dbraw/zinc/15/60/63/186156063.db2.gz ITDCVLPHOCJOET-NSHDSACASA-N 1 0 301.818 2.377 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164417409 186158653 /nfs/dbraw/zinc/15/86/53/186158653.db2.gz NGUYFHWSJRUUQY-VIFPVBQESA-N 1 0 310.419 2.336 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000173344448 186179049 /nfs/dbraw/zinc/17/90/49/186179049.db2.gz HPIBMPXOJMCGPG-RDJZCZTQSA-N 1 0 319.449 2.327 10 0 DEAERO CN(C)C(=O)C1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000179685782 186205302 /nfs/dbraw/zinc/20/53/02/186205302.db2.gz DNXUMMCTTPYGOW-UHFFFAOYSA-N 1 0 300.402 2.263 10 0 DEAERO CCc1cccc(OCC[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1 ZINC000253396289 186304588 /nfs/dbraw/zinc/30/45/88/186304588.db2.gz NCXJTAYQSJVUIF-QRVBRYPASA-N 1 0 319.445 2.490 10 0 DEAERO CCn1nccc1CC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000253396356 186305213 /nfs/dbraw/zinc/30/52/13/186305213.db2.gz NWPKKTRWXIBBBQ-IRXDYDNUSA-N 1 0 303.381 2.393 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)c1coc(Br)c1 ZINC000276202935 539805383 /nfs/dbraw/zinc/80/53/83/539805383.db2.gz KDMZDVPCPUOFAN-UHFFFAOYSA-N 1 0 303.200 2.456 10 0 DEAERO Cc1nc2ccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2o1 ZINC000171888281 198002540 /nfs/dbraw/zinc/00/25/40/198002540.db2.gz FHZXGNRWOVRMEN-ZDUSSCGKSA-N 1 0 300.362 2.448 10 0 DEAERO C[NH2+]CC(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccccc1F ZINC000072367531 191136581 /nfs/dbraw/zinc/13/65/81/191136581.db2.gz HGPYZOOPSFNCNW-CQSZACIVSA-N 1 0 302.353 2.099 10 0 DEAERO CCOCCN1CCN(C(=O)OCC(F)(F)F)C[C@@H]1CC ZINC000172045676 198030208 /nfs/dbraw/zinc/03/02/08/198030208.db2.gz OHXFOBHFZFJSID-NSHDSACASA-N 1 0 312.332 2.118 10 0 DEAERO CN1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1=O ZINC000172087571 198037673 /nfs/dbraw/zinc/03/76/73/198037673.db2.gz BJJPUHXRDYITGS-CHWSQXEVSA-N 1 0 309.207 2.257 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)OCCCO3)CC[N@@H+]1C ZINC000172621993 198126613 /nfs/dbraw/zinc/12/66/13/198126613.db2.gz OIQAAYGFKLSIMB-UKRRQHHQSA-N 1 0 318.417 2.403 10 0 DEAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCCS(N)(=O)=O)o1 ZINC000172872059 198161314 /nfs/dbraw/zinc/16/13/14/198161314.db2.gz HMCPGZWUQDHQKT-CYBMUJFWSA-N 1 0 300.424 2.048 10 0 DEAERO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000072897227 191249609 /nfs/dbraw/zinc/24/96/09/191249609.db2.gz MMDRLBYEYRRRIQ-KBPBESRZSA-N 1 0 317.433 2.447 10 0 DEAERO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000173189925 198193945 /nfs/dbraw/zinc/19/39/45/198193945.db2.gz POTFUWOQRXJPBM-DZGCQCFKSA-N 1 0 305.422 2.319 10 0 DEAERO COc1ccc2c(ncnc2N2CCC3(CC[NH2+]3)CC2)c1F ZINC000333317948 539955820 /nfs/dbraw/zinc/95/58/20/539955820.db2.gz TZDWPQJJJGSXNG-UHFFFAOYSA-N 1 0 302.353 2.110 10 0 DEAERO COCCCOc1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000173574505 198229121 /nfs/dbraw/zinc/22/91/21/198229121.db2.gz WUJDZHCTBAEMTR-MRXNPFEDSA-N 1 0 318.417 2.022 10 0 DEAERO CC[NH+](CC)CC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000173523275 198224097 /nfs/dbraw/zinc/22/40/97/198224097.db2.gz OIOMBGIPIXGXJD-XJKSGUPXSA-N 1 0 308.397 2.456 10 0 DEAERO C[C@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)Cc2ccccc2O1 ZINC000333677267 539968372 /nfs/dbraw/zinc/96/83/72/539968372.db2.gz OFUNRLLTAYFVKP-ZFWWWQNUSA-N 1 0 303.406 2.121 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000333776928 539971567 /nfs/dbraw/zinc/97/15/67/539971567.db2.gz DBGYOZDLZGNQJC-GVDBMIGSSA-N 1 0 323.481 2.495 10 0 DEAERO CO[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000173701344 198242067 /nfs/dbraw/zinc/24/20/67/198242067.db2.gz ZTTJCUSCFJKMOS-IRXDYDNUSA-N 1 0 315.417 2.030 10 0 DEAERO CC(C)NC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174018402 198281256 /nfs/dbraw/zinc/28/12/56/198281256.db2.gz MAEURIOJRYPCJE-QGZVFWFLSA-N 1 0 319.449 2.140 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)NCC[NH+]1CCCCC1 ZINC000173983703 198275998 /nfs/dbraw/zinc/27/59/98/198275998.db2.gz HBQDXZNQZYUHLO-INIZCTEOSA-N 1 0 319.449 2.377 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2CCCN(c3ccc(C)cc3)C2=O)c1 ZINC000174086580 198289964 /nfs/dbraw/zinc/28/99/64/198289964.db2.gz RRLJYSUYGWUEAQ-KRWDZBQOSA-N 1 0 312.417 2.285 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(CCCOCCc2ccccc2)CC1 ZINC000174094722 198291097 /nfs/dbraw/zinc/29/10/97/198291097.db2.gz QVXKVJISCQSBOP-IBGZPJMESA-N 1 0 320.477 2.024 10 0 DEAERO Cc1cc(N2CC[C@H]([N@H+](C)CCc3cccs3)C2=O)n(C)n1 ZINC000174154850 198299581 /nfs/dbraw/zinc/29/95/81/198299581.db2.gz XUCHCSJFGDTTHD-AWEZNQCLSA-N 1 0 318.446 2.070 10 0 DEAERO C[C@H](Cc1ccccc1F)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174252956 198310660 /nfs/dbraw/zinc/31/06/60/198310660.db2.gz YVTUVGBKORIGOL-ZBFHGGJFSA-N 1 0 317.408 2.412 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC)nc2)[C@H](C)C1 ZINC000174363366 198325308 /nfs/dbraw/zinc/32/53/08/198325308.db2.gz MBDSFZBOAKOONM-TZMCWYRMSA-N 1 0 306.410 2.284 10 0 DEAERO CC(C)CNC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174384295 198328855 /nfs/dbraw/zinc/32/88/55/198328855.db2.gz JATIMFGPHWKIAT-SJORKVTESA-N 1 0 304.434 2.347 10 0 DEAERO [NH3+]C[C@H](NCCCO)c1cc(Cl)ccc1Br ZINC000085220879 192482473 /nfs/dbraw/zinc/48/24/73/192482473.db2.gz GRHRAXVRVGNYOA-NSHDSACASA-N 1 0 307.619 2.074 10 0 DEAERO CC[C@H]1CN(C(=O)C2(c3ccccc3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000174613874 198359252 /nfs/dbraw/zinc/35/92/52/198359252.db2.gz CKJLYGKWJOMYIO-WBVHZDCISA-N 1 0 316.445 2.022 10 0 DEAERO C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(=O)c1cccc(F)c1 ZINC000174663977 198367627 /nfs/dbraw/zinc/36/76/27/198367627.db2.gz MRQQRRAUCAXLJD-CZUORRHYSA-N 1 0 318.392 2.341 10 0 DEAERO O[C@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1cccc(Cl)c1 ZINC000174788148 198385401 /nfs/dbraw/zinc/38/54/01/198385401.db2.gz OKPZJCNAAJDYBS-XJKSGUPXSA-N 1 0 320.824 2.377 10 0 DEAERO O=C(N[C@@H]1CCOc2ccc(F)cc21)N[C@H]1CCCC[NH2+]C1 ZINC000333532811 282943501 /nfs/dbraw/zinc/94/35/01/282943501.db2.gz IFSWSHWXYJOHOP-GXTWGEPZSA-N 1 0 307.369 2.091 10 0 DEAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000028903181 354104246 /nfs/dbraw/zinc/10/42/46/354104246.db2.gz FDAPYWMECNSRDY-CQSZACIVSA-N 1 0 323.824 2.221 10 0 DEAERO CN1CCC[C@H](C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1=O ZINC000333969515 283001556 /nfs/dbraw/zinc/00/15/56/283001556.db2.gz UTNVGFDXXHUMJU-CVEARBPZSA-N 1 0 315.417 2.042 10 0 DEAERO Cc1cc(C)cc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000176860229 198629604 /nfs/dbraw/zinc/62/96/04/198629604.db2.gz YQWGCCOIAOYKGG-INIZCTEOSA-N 1 0 318.461 2.468 10 0 DEAERO CCC[C@H](C)C[NH2+]CCOc1ccc(NS(C)(=O)=O)cc1 ZINC000182682457 199474808 /nfs/dbraw/zinc/47/48/08/199474808.db2.gz XODKLSPORFNPDI-ZDUSSCGKSA-N 1 0 314.451 2.463 10 0 DEAERO COCCC[N@H+](C)CC(=O)N1CCC[C@H]1c1cccc(OC)c1 ZINC000066378539 354712018 /nfs/dbraw/zinc/71/20/18/354712018.db2.gz WVGYNXMTAXACHC-KRWDZBQOSA-N 1 0 320.433 2.327 10 0 DEAERO CN(CC1C[NH+](C)C1)C(=O)c1cccc(Br)c1F ZINC000618191218 363408700 /nfs/dbraw/zinc/40/87/00/363408700.db2.gz YEEHDKXPJIBTCH-UHFFFAOYSA-N 1 0 315.186 2.222 10 0 DEAERO CN(CC1C[NH+](C)C1)C(=O)c1csc(Br)c1 ZINC000618195478 363411137 /nfs/dbraw/zinc/41/11/37/363411137.db2.gz KOWPUBKPYBOBJD-UHFFFAOYSA-N 1 0 303.225 2.144 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCCC[C@H]1CO ZINC000379469951 540121580 /nfs/dbraw/zinc/12/15/80/540121580.db2.gz GQTIRCAUDNQFMZ-KRWDZBQOSA-N 1 0 304.434 2.272 10 0 DEAERO CCn1c(CC[NH3+])nnc1Sc1ncnc2ccc(C)cc21 ZINC000092665017 355644898 /nfs/dbraw/zinc/64/48/98/355644898.db2.gz MZTCTOJXDYMTCD-UHFFFAOYSA-N 1 0 314.418 2.202 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(F)c1 ZINC000367413308 283113458 /nfs/dbraw/zinc/11/34/58/283113458.db2.gz RAKYPJGBMHBKRW-ZBEGNZNMSA-N 1 0 324.371 2.395 10 0 DEAERO C[C@@H](CCCO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000094943811 355696309 /nfs/dbraw/zinc/69/63/09/355696309.db2.gz BJMNSVXWQGECKC-WDEREUQCSA-N 1 0 322.232 2.484 10 0 DEAERO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)NC1CC1 ZINC000107898418 355729612 /nfs/dbraw/zinc/72/96/12/355729612.db2.gz JNNSMCTVIBXFJQ-UHFFFAOYSA-N 1 0 308.809 2.214 10 0 DEAERO COc1ccc(OC)c([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000139416180 355876949 /nfs/dbraw/zinc/87/69/49/355876949.db2.gz OZBYDHYZSYCXGO-OLZOCXBDSA-N 1 0 321.421 2.158 10 0 DEAERO O=C(C[NH2+][C@H]1CCCC[C@H]1n1cccn1)NC1CCCCC1 ZINC000128166510 355827229 /nfs/dbraw/zinc/82/72/29/355827229.db2.gz LPYHHBZIZFBWFU-JKSUJKDBSA-N 1 0 304.438 2.405 10 0 DEAERO Cc1cc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)on1 ZINC000140238584 355883905 /nfs/dbraw/zinc/88/39/05/355883905.db2.gz OERQHROBQKLKNW-OAHLLOKOSA-N 1 0 302.378 2.085 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000156762682 355953298 /nfs/dbraw/zinc/95/32/98/355953298.db2.gz UWZXDRYJKDQFKL-WFASDCNBSA-N 1 0 324.469 2.498 10 0 DEAERO C[C@H](C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1)CS(C)(=O)=O ZINC000180843989 356063290 /nfs/dbraw/zinc/06/32/90/356063290.db2.gz NQOCZQJEYULOFD-ZIAGYGMSSA-N 1 0 321.446 2.204 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CCOCC1 ZINC000179870547 356035779 /nfs/dbraw/zinc/03/57/79/356035779.db2.gz CODBXFPPQQPPOS-AAEUAGOBSA-N 1 0 322.371 2.192 10 0 DEAERO C[NH+](C)C[C@](C)(O)CNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000180751310 356058963 /nfs/dbraw/zinc/05/89/63/356058963.db2.gz XFLYGFGSSLNTIG-ORHYLEIMSA-N 1 0 324.387 2.174 10 0 DEAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000182272966 356118215 /nfs/dbraw/zinc/11/82/15/356118215.db2.gz LREGEHHJKJZUGF-QZTJIDSGSA-N 1 0 318.461 2.313 10 0 DEAERO O=C1CC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)N1 ZINC000079927958 191985114 /nfs/dbraw/zinc/98/51/14/191985114.db2.gz OJLWPMORVREEIF-KGLIPLIRSA-N 1 0 323.234 2.175 10 0 DEAERO CC(C)[C@@H](C)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000080157248 192007022 /nfs/dbraw/zinc/00/70/22/192007022.db2.gz LJPFWMHOGRYTIO-LLVKDONJSA-N 1 0 306.410 2.013 10 0 DEAERO C[C@@H](C(=O)N1CCCCCC1)[N@H+](CC(N)=S)C1CCCC1 ZINC000080222354 192013436 /nfs/dbraw/zinc/01/34/36/192013436.db2.gz YADYQHGQMGVOFU-ZDUSSCGKSA-N 1 0 311.495 2.308 10 0 DEAERO C[NH2+]CCCc1cn(CCCS(C)(=O)=O)c2ccccc12 ZINC000080067453 191997946 /nfs/dbraw/zinc/99/79/46/191997946.db2.gz IBMKXXLOGAUYOY-UHFFFAOYSA-N 1 0 308.447 2.228 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000187768458 356214213 /nfs/dbraw/zinc/21/42/13/356214213.db2.gz YEZOPKVMLVJYKZ-RHSMWYFYSA-N 1 0 310.413 2.071 10 0 DEAERO COC[C@H](C)C[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000188647985 356214646 /nfs/dbraw/zinc/21/46/46/356214646.db2.gz SPZWSDJXTGWVGA-HIFRSBDPSA-N 1 0 311.495 2.488 10 0 DEAERO CC[C@@H](NS(=O)(=O)CC[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000080315083 192023871 /nfs/dbraw/zinc/02/38/71/192023871.db2.gz XJOJKTWMAOGXKG-VXGBXAGGSA-N 1 0 317.480 2.046 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000184619001 356194692 /nfs/dbraw/zinc/19/46/92/356194692.db2.gz PGZOXJPDVRKMCW-UHFFFAOYSA-N 1 0 308.430 2.199 10 0 DEAERO Cc1ccc(C[C@@H](C)NS(=O)(=O)c2ccc(C[NH3+])cc2)s1 ZINC000080248214 192017055 /nfs/dbraw/zinc/01/70/55/192017055.db2.gz JQWMWODRFOQYKL-LLVKDONJSA-N 1 0 324.471 2.425 10 0 DEAERO CCOC(=O)C[C@H]([NH3+])c1cc(OC)ccc1Br ZINC000228763409 356281404 /nfs/dbraw/zinc/28/14/04/356281404.db2.gz BNSNSRKHJRJHRT-NSHDSACASA-N 1 0 302.168 2.411 10 0 DEAERO N=C1N[C@](CF)(c2cc(N)ccc2F)C[C@@H](C(F)(F)F)O1 ZINC000218659273 356273537 /nfs/dbraw/zinc/27/35/37/356273537.db2.gz GPTQJQDTEXJNON-GXSJLCMTSA-N 1 0 309.238 2.239 10 0 DEAERO Cc1cc(F)cc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000080717425 192186488 /nfs/dbraw/zinc/18/64/88/192186488.db2.gz ZQQCYJCDOSQJPG-CYBMUJFWSA-N 1 0 314.426 2.287 10 0 DEAERO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000226464451 356278627 /nfs/dbraw/zinc/27/86/27/356278627.db2.gz NKCDHSXDBPBENU-GFCCVEGCSA-N 1 0 302.827 2.103 10 0 DEAERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)c(Br)c2)C1 ZINC000231292063 356284699 /nfs/dbraw/zinc/28/46/99/356284699.db2.gz IRMSQAWXSCDXOH-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO CCNS(=O)(=O)c1ccc(OCC2([NH3+])CCCCC2)cc1 ZINC000080842220 192195799 /nfs/dbraw/zinc/19/57/99/192195799.db2.gz WOKRDVPBMVQHIR-UHFFFAOYSA-N 1 0 312.435 2.025 10 0 DEAERO [NH3+]Cc1ccnc(I)c1OC(F)(F)F ZINC000238690407 356305121 /nfs/dbraw/zinc/30/51/21/356305121.db2.gz SNOHCZLIXIXMRY-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)ncn1 ZINC000245752190 356310559 /nfs/dbraw/zinc/31/05/59/356310559.db2.gz HFVKWAHTONTMNS-LXTVHRRPSA-N 1 0 319.453 2.033 10 0 DEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000085361652 192496059 /nfs/dbraw/zinc/49/60/59/192496059.db2.gz HMARJZVIVZMOJG-MWLCHTKSSA-N 1 0 307.781 2.291 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262315047 356341291 /nfs/dbraw/zinc/34/12/91/356341291.db2.gz UFWFUAVGKYEDFM-JONQDZQNSA-N 1 0 323.481 2.047 10 0 DEAERO COC[C@H]1CCN([C@@H](C[NH3+])c2ccccc2Br)C1 ZINC000081041530 192218386 /nfs/dbraw/zinc/21/83/86/192218386.db2.gz MQCLEPOLKDISTE-FZMZJTMJSA-N 1 0 313.239 2.417 10 0 DEAERO COC[C@@H]1CCN(c2cc(Br)ccc2CC[NH3+])C1 ZINC000081121471 192228746 /nfs/dbraw/zinc/22/87/46/192228746.db2.gz XBEVGNLFAKUOEV-LLVKDONJSA-N 1 0 313.239 2.423 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400471771 283157251 /nfs/dbraw/zinc/15/72/51/283157251.db2.gz YDZIFHWWVDAHDS-IGQOVBAYSA-N 1 0 300.443 2.381 10 0 DEAERO CC[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400475208 283157531 /nfs/dbraw/zinc/15/75/31/283157531.db2.gz ZNELYXXPRGATQX-MJBXVCDLSA-N 1 0 300.443 2.383 10 0 DEAERO CC(C)[C@H](O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400474252 283157650 /nfs/dbraw/zinc/15/76/50/283157650.db2.gz ZDSWCJCCPMIIIA-MGPQQGTHSA-N 1 0 300.443 2.238 10 0 DEAERO [NH3+]Cc1ccc(I)nc1C(F)(F)F ZINC000306777347 356405171 /nfs/dbraw/zinc/40/51/71/356405171.db2.gz NCZYPEKIGCAMPQ-UHFFFAOYSA-N 1 0 302.037 2.164 10 0 DEAERO [NH3+]Cc1nc(I)ccc1C(F)(F)F ZINC000306909299 356406522 /nfs/dbraw/zinc/40/65/22/356406522.db2.gz HEQDBTGYHCEIAE-UHFFFAOYSA-N 1 0 302.037 2.164 10 0 DEAERO CCCn1cc(CN[C@@H](C)c2nnc3n2CCCCC3)cn1 ZINC000319339220 356440915 /nfs/dbraw/zinc/44/09/15/356440915.db2.gz QOHHGHZIKXUMJA-ZDUSSCGKSA-N 1 0 302.426 2.462 10 0 DEAERO O=C(c1ccc(F)cc1)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328646501 356466020 /nfs/dbraw/zinc/46/60/20/356466020.db2.gz SOXWUUUZCIHYKT-OAHLLOKOSA-N 1 0 313.376 2.473 10 0 DEAERO CNC(=O)[C@H](C)C[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000081524506 192281321 /nfs/dbraw/zinc/28/13/21/192281321.db2.gz CQFOLOGVKZGPNS-LLVKDONJSA-N 1 0 305.353 2.295 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Cl)cc1Cl)N1CCn2cnnc2C1 ZINC000081533197 192285036 /nfs/dbraw/zinc/28/50/36/192285036.db2.gz OYYMHSPWVSDZDO-LBPRGKRZSA-N 1 0 312.204 2.101 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCNc1nc2ccccc2s1 ZINC000236971895 202101390 /nfs/dbraw/zinc/10/13/90/202101390.db2.gz URDRIGXUHUGQGU-ZWNOBZJWSA-N 1 0 306.435 2.198 10 0 DEAERO C[C@@H]1CN(CC(=O)Nc2ncc(Cl)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000086470220 192575677 /nfs/dbraw/zinc/57/56/77/192575677.db2.gz LWNQRBDVGARBMG-BDAKNGLRSA-N 1 0 317.220 2.009 10 0 DEAERO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000400165428 356722721 /nfs/dbraw/zinc/72/27/21/356722721.db2.gz IWYUHCWUEWQWLB-ZIAGYGMSSA-N 1 0 302.484 2.359 10 0 DEAERO CC[C@@]1(O)CCOC2(CC[NH+](Cc3cnn(C)c3C)CC2)C1 ZINC000409419916 356736099 /nfs/dbraw/zinc/73/60/99/356736099.db2.gz PXLUWGWFLBBYIA-MRXNPFEDSA-N 1 0 307.438 2.015 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@H](c2nc(C(C)(C)C)no2)C1 ZINC000409421980 356736505 /nfs/dbraw/zinc/73/65/05/356736505.db2.gz ATMLSTQVSUGTPB-GHMZBOCLSA-N 1 0 324.425 2.419 10 0 DEAERO CC(C)c1noc([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2[NH3+])n1 ZINC000409424257 356736519 /nfs/dbraw/zinc/73/65/19/356736519.db2.gz XUHSTPJHUGDSQD-MNOVXSKESA-N 1 0 310.398 2.245 10 0 DEAERO CCc1nc(C)c(NC(=O)NCCNc2cc[nH+]cc2)s1 ZINC000578252577 356787648 /nfs/dbraw/zinc/78/76/48/356787648.db2.gz NERFAPDOCUIWPL-UHFFFAOYSA-N 1 0 305.407 2.064 10 0 DEAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CC1=CCOCC1 ZINC000578843910 356879311 /nfs/dbraw/zinc/87/93/11/356879311.db2.gz PBRSHWQIPSNIAG-UHFFFAOYSA-N 1 0 313.357 2.242 10 0 DEAERO CCS(=O)(=O)CCCOc1c(Cl)cc(C[NH3+])cc1OC ZINC000086972663 192603767 /nfs/dbraw/zinc/60/37/67/192603767.db2.gz JSDSVOIOLDJUBW-UHFFFAOYSA-N 1 0 321.826 2.011 10 0 DEAERO Cc1cc(C(=O)N2CCC[NH2+]CC2)sc1Br ZINC000087017891 192611972 /nfs/dbraw/zinc/61/19/72/192611972.db2.gz DVYWOONJXBHMIL-UHFFFAOYSA-N 1 0 303.225 2.255 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3nccnc3C)[C@H]2C1 ZINC000579400821 356968790 /nfs/dbraw/zinc/96/87/90/356968790.db2.gz ALDFCKCIURPGDH-OEAJRASXSA-N 1 0 302.422 2.083 10 0 DEAERO C[C@H](C[N@H+](C)C[C@H](O)COC[C@H]1CCCO1)c1ccccc1 ZINC000589707893 357492416 /nfs/dbraw/zinc/49/24/16/357492416.db2.gz VMDJTAUFIAYBEC-BPQIPLTHSA-N 1 0 307.434 2.278 10 0 DEAERO Cc1ccc2nc(C[NH2+][C@H]3CCc4nc(C(C)C)nn4C3)cn2c1 ZINC000591914896 357794358 /nfs/dbraw/zinc/79/43/58/357794358.db2.gz LEHXLHMHTABDSR-AWEZNQCLSA-N 1 0 324.432 2.462 10 0 DEAERO C[N@@H+]1CCC[C@H]1CCN1CCN(c2nc3ccccc3o2)CC1 ZINC000179270726 199008170 /nfs/dbraw/zinc/00/81/70/199008170.db2.gz ODCYGMGGTDFSAD-HNNXBMFYSA-N 1 0 314.433 2.434 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cc(F)cc(OC)c1 ZINC000179474763 199041963 /nfs/dbraw/zinc/04/19/63/199041963.db2.gz PRECXAIWULSOHL-OAHLLOKOSA-N 1 0 323.412 2.460 10 0 DEAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H](C)c2cnn(C)c2)C1 ZINC000180341416 199147774 /nfs/dbraw/zinc/14/77/74/199147774.db2.gz YANUQJPPGINKML-GJZGRUSLSA-N 1 0 321.469 2.243 10 0 DEAERO Cc1cc(F)ccc1-n1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C)n1 ZINC000180684644 199196117 /nfs/dbraw/zinc/19/61/17/199196117.db2.gz DSGSIDCZWZPYIY-AWEZNQCLSA-N 1 0 316.380 2.144 10 0 DEAERO CCn1cc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000180934982 199230134 /nfs/dbraw/zinc/23/01/34/199230134.db2.gz KSCIFZCHRKYPNC-HIFRSBDPSA-N 1 0 300.410 2.013 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181201235 199264594 /nfs/dbraw/zinc/26/45/94/199264594.db2.gz IVNJDUSLNVCHKM-YOEHRIQHSA-N 1 0 319.449 2.106 10 0 DEAERO CCO[C@H](C)[C@@H](Cc1c(Br)c(C)nn1C)[NH2+]C 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NC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000089390213 192778913 /nfs/dbraw/zinc/77/89/13/192778913.db2.gz KJOPUDQUUQJIQS-MWLCHTKSSA-N 1 0 309.797 2.143 10 0 DEAERO CCc1nn(CC)c(C[C@@]2(C[NH3+])CCOC2)c1Br ZINC000089378181 192776909 /nfs/dbraw/zinc/77/69/09/192776909.db2.gz ZYUVDZIOCJOEHS-CYBMUJFWSA-N 1 0 316.243 2.136 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089456848 192793217 /nfs/dbraw/zinc/79/32/17/192793217.db2.gz KJKBROUQURJYHT-NEPJUHHUSA-N 1 0 310.360 2.179 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNc1ccccc1S(=O)(=O)C(F)F ZINC000089501215 192804105 /nfs/dbraw/zinc/80/41/05/192804105.db2.gz HQIYUDIBALNIMG-WDEREUQCSA-N 1 0 318.389 2.470 10 0 DEAERO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186726604 199998168 /nfs/dbraw/zinc/99/81/68/199998168.db2.gz VFCDKCNFKFWNMK-MWLCHTKSSA-N 1 0 305.403 2.439 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1c[nH]c(=S)[nH]1 ZINC000186796521 200012033 /nfs/dbraw/zinc/01/20/33/200012033.db2.gz JXLRRHGFYDRAFM-UHFFFAOYSA-N 1 0 316.430 2.224 10 0 DEAERO C[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C(=O)c1cccc(F)c1 ZINC000186819834 200015795 /nfs/dbraw/zinc/01/57/95/200015795.db2.gz FOCXMEKLCFSNGA-ZOWXZIJZSA-N 1 0 306.381 2.149 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000186827757 200017638 /nfs/dbraw/zinc/01/76/38/200017638.db2.gz ZIWFEPGFWINTNE-NOZJJQNGSA-N 1 0 317.216 2.486 10 0 DEAERO [NH3+]CCn1nnnc1SCc1cc2ccccc2nc1Cl ZINC000089682578 192841274 /nfs/dbraw/zinc/84/12/74/192841274.db2.gz DKEOXARUMRNLSG-UHFFFAOYSA-N 1 0 320.809 2.126 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)cn1 ZINC000187005014 200046483 /nfs/dbraw/zinc/04/64/83/200046483.db2.gz FMOYBYJMUHWAIX-INIZCTEOSA-N 1 0 324.428 2.319 10 0 DEAERO CC[N@H+](CCO)CCNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000187080392 200058503 /nfs/dbraw/zinc/05/85/03/200058503.db2.gz KCPDSFUFUZMCKT-LBPRGKRZSA-N 1 0 313.829 2.014 10 0 DEAERO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H](C)[C@H](C)CO ZINC000187258583 200085064 /nfs/dbraw/zinc/08/50/64/200085064.db2.gz XPYPIJAGJAYAFX-MNOVXSKESA-N 1 0 319.854 2.240 10 0 DEAERO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC(=O)N(C)C2)cc1F ZINC000187402691 200107213 /nfs/dbraw/zinc/10/72/13/200107213.db2.gz NNJVTJYVQOSYJF-JSGCOSHPSA-N 1 0 308.397 2.223 10 0 DEAERO CCOc1cccc2[nH]cc(CC(=O)N3CC[C@H]([NH+](C)C)C3)c21 ZINC000187448488 200113285 /nfs/dbraw/zinc/11/32/85/200113285.db2.gz YLDDUBVSUXEQML-AWEZNQCLSA-N 1 0 315.417 2.272 10 0 DEAERO CCc1ncc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cn1 ZINC000187629637 200136993 /nfs/dbraw/zinc/13/69/93/200136993.db2.gz ZVEDXGZNDHFQBV-CYBMUJFWSA-N 1 0 305.426 2.425 10 0 DEAERO C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1coc(C[NH3+])c1 ZINC000187644076 200139103 /nfs/dbraw/zinc/13/91/03/200139103.db2.gz GZTFKKODSXSKMY-BLLLJJGKSA-N 1 0 300.358 2.341 10 0 DEAERO CC1CC[NH+](CC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000187693078 200146004 /nfs/dbraw/zinc/14/60/04/200146004.db2.gz AHPJISYEZPOKOX-HOTGVXAUSA-N 1 0 322.474 2.014 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cc(F)ccc1OC ZINC000187744254 200152047 /nfs/dbraw/zinc/15/20/47/200152047.db2.gz FUNSGFBZQVPFNU-OAHLLOKOSA-N 1 0 323.412 2.460 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)Cc2ccccc2F)C1 ZINC000187944594 200181015 /nfs/dbraw/zinc/18/10/15/200181015.db2.gz ZHLOKLIWMJAHFJ-KSSFIOAISA-N 1 0 322.424 2.267 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000187896859 200173346 /nfs/dbraw/zinc/17/33/46/200173346.db2.gz AQNCPPLGKJQLGC-MEDUHNTESA-N 1 0 312.360 2.386 10 0 DEAERO CCC[C@@H](C(=O)NCc1cc(COC(C)(C)C)on1)[NH+](C)C ZINC000188572492 200268682 /nfs/dbraw/zinc/26/86/82/200268682.db2.gz MFAWNJHKVLXRQA-AWEZNQCLSA-N 1 0 311.426 2.336 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cncc(Cl)n1 ZINC000189196241 200362660 /nfs/dbraw/zinc/36/26/60/200362660.db2.gz KZFOGGFKBFIOLM-CYBMUJFWSA-N 1 0 318.808 2.033 10 0 DEAERO COC[C@H](O)C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000601831674 360166927 /nfs/dbraw/zinc/16/69/27/360166927.db2.gz GXQGVQNGXWSAFJ-XHNCKOQMSA-N 1 0 309.250 2.056 10 0 DEAERO c1ccc(OCCOCC[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000441656739 238030180 /nfs/dbraw/zinc/03/01/80/238030180.db2.gz PEGYYSZMXLFEII-IAGOWNOFSA-N 1 0 305.418 2.440 10 0 DEAERO COc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000604161810 360888015 /nfs/dbraw/zinc/88/80/15/360888015.db2.gz NFCNOKQFVHKMJL-WCQYABFASA-N 1 0 321.396 2.431 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1cnns1 ZINC000192345574 200857223 /nfs/dbraw/zinc/85/72/23/200857223.db2.gz OVAQMQZXCDUJPT-UHFFFAOYSA-N 1 0 317.418 2.456 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)CCOCC(F)(F)F)CC1 ZINC000607923090 361130363 /nfs/dbraw/zinc/13/03/63/361130363.db2.gz PSQVLSBROFCJOL-UHFFFAOYSA-N 1 0 310.360 2.194 10 0 DEAERO Cc1cccnc1C(F)(F)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000192596656 200906997 /nfs/dbraw/zinc/90/69/97/200906997.db2.gz DTOLSCSBANRCHC-OLZOCXBDSA-N 1 0 311.376 2.423 10 0 DEAERO COCCN1CC[N@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000193248386 201012784 /nfs/dbraw/zinc/01/27/84/201012784.db2.gz PVORJVYESXGONO-INIZCTEOSA-N 1 0 318.461 2.207 10 0 DEAERO c1nc(C2CC2)oc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000628162520 366744622 /nfs/dbraw/zinc/74/46/22/366744622.db2.gz TZMDRIKLWOTVKJ-HNNXBMFYSA-N 1 0 305.422 2.239 10 0 DEAERO C[C@H]([NH3+])CCC(=O)N1CCc2c(Br)cccc2C1 ZINC000193231021 201009367 /nfs/dbraw/zinc/00/93/67/201009367.db2.gz PACISVADJMPIOX-JTQLQIEISA-N 1 0 311.223 2.461 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000193400673 201046714 /nfs/dbraw/zinc/04/67/14/201046714.db2.gz AMIADQFTSHZNGA-CZUORRHYSA-N 1 0 310.463 2.161 10 0 DEAERO COC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H](OC)C2)c1 ZINC000619426918 363790855 /nfs/dbraw/zinc/79/08/55/363790855.db2.gz YSNNJPGHSMULJN-CABCVRRESA-N 1 0 307.390 2.286 10 0 DEAERO CC[NH+](CC)CCSCC(=O)Nc1ccc2nccn2c1 ZINC000610427453 361397800 /nfs/dbraw/zinc/39/78/00/361397800.db2.gz MSISINNZHVGSKI-UHFFFAOYSA-N 1 0 306.435 2.348 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000193648358 201096479 /nfs/dbraw/zinc/09/64/79/201096479.db2.gz FOFNUMLELUMNAM-FZMZJTMJSA-N 1 0 318.808 2.396 10 0 DEAERO C[C@@H](NC(=O)C1(C[NH3+])CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000261653198 296039803 /nfs/dbraw/zinc/03/98/03/296039803.db2.gz FNPZTSFRNWPWJC-PGBRGIIUSA-N 1 0 320.477 2.463 10 0 DEAERO COC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc(Cl)cc1 ZINC000193957485 201153123 /nfs/dbraw/zinc/15/31/23/201153123.db2.gz INGMWVPMQDUHKV-CJNGLKHVSA-N 1 0 312.841 2.338 10 0 DEAERO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1cnn(C)c1)c1ccccc1 ZINC000610908770 361491508 /nfs/dbraw/zinc/49/15/08/361491508.db2.gz FOZXARDJQKMHJB-HNNXBMFYSA-N 1 0 301.390 2.450 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1[C@H]3CCO[C@H]3C13CCCC3)CC2 ZINC000194095164 201177294 /nfs/dbraw/zinc/17/72/94/201177294.db2.gz RVNOLKKWPPNVPR-UTJXIGIESA-N 1 0 316.449 2.093 10 0 DEAERO CCN1C[C@@H](CN(C)[C@@H](C(=O)OC)C2CC2)Oc2ccccc21 ZINC000611660054 361653980 /nfs/dbraw/zinc/65/39/80/361653980.db2.gz MTWAISFDNPXVME-RHSMWYFYSA-N 1 0 318.417 2.157 10 0 DEAERO CCn1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cn1 ZINC000194983997 201321422 /nfs/dbraw/zinc/32/14/22/201321422.db2.gz AEKJFPTWCLXBFL-HIFRSBDPSA-N 1 0 300.410 2.013 10 0 DEAERO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1nnc(C2CCC2)n1C ZINC000611928199 361706722 /nfs/dbraw/zinc/70/67/22/361706722.db2.gz RGSMPIREDIMPNQ-DYVFJYSZSA-N 1 0 320.437 2.294 10 0 DEAERO Cc1nn(C)c(C)c1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448005274 239215683 /nfs/dbraw/zinc/21/56/83/239215683.db2.gz UFSLQAJSCYJWKI-ZDUSSCGKSA-N 1 0 307.442 2.279 10 0 DEAERO CCCCOC[C@@H](O)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000195181535 201355478 /nfs/dbraw/zinc/35/54/78/201355478.db2.gz YTDBDURRLAFQJP-BTYIYWSLSA-N 1 0 313.463 2.033 10 0 DEAERO CCCCOC(=O)CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195296927 201375861 /nfs/dbraw/zinc/37/58/61/201375861.db2.gz PDBKXJCTVYNMPE-QGZVFWFLSA-N 1 0 319.449 2.179 10 0 DEAERO CC(=O)[C@H](C)CCCCC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000620012283 363932176 /nfs/dbraw/zinc/93/21/76/363932176.db2.gz YIZYDMLQVXTBDG-PBHICJAKSA-N 1 0 324.465 2.141 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1cnc2ccccc2n1 ZINC000247101048 202645681 /nfs/dbraw/zinc/64/56/81/202645681.db2.gz IKZIEUVMXJGVCO-RIEFBQKVSA-N 1 0 322.412 2.338 10 0 DEAERO Cc1csc(Cc2noc(-c3csc(CC[NH3+])n3)n2)n1 ZINC000090938973 192956301 /nfs/dbraw/zinc/95/63/01/192956301.db2.gz XVZWNTGHVHEGAW-UHFFFAOYSA-N 1 0 307.404 2.050 10 0 DEAERO O=C(CC1(O)CCCC1)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000372127245 283768751 /nfs/dbraw/zinc/76/87/51/283768751.db2.gz ZQMMAHVVRILFEK-INIZCTEOSA-N 1 0 308.466 2.406 10 0 DEAERO c1cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)n(CCc2ccccc2)n1 ZINC000621716665 364522739 /nfs/dbraw/zinc/52/27/39/364522739.db2.gz IPNZBTOTGGLAMQ-PKOBYXMFSA-N 1 0 310.445 2.310 10 0 DEAERO C[C@@H](CC(C)(C)C)[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000449147694 240122945 /nfs/dbraw/zinc/12/29/45/240122945.db2.gz HWWJBYMVTTWWGO-HNNXBMFYSA-N 1 0 309.498 2.345 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CC12COC2 ZINC000449358017 240393227 /nfs/dbraw/zinc/39/32/27/240393227.db2.gz FGVMNIFQLNSLKB-AWEZNQCLSA-N 1 0 309.793 2.352 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2C)CC12COC2 ZINC000449357534 240397858 /nfs/dbraw/zinc/39/78/58/240397858.db2.gz DRPFCPSHJWOCQL-INIZCTEOSA-N 1 0 303.402 2.315 10 0 DEAERO O[C@@]1(C[NH2+]Cc2ccsc2Br)CCSC1 ZINC000623438655 365030636 /nfs/dbraw/zinc/03/06/36/365030636.db2.gz GYECGPNERZVOFX-SNVBAGLBSA-N 1 0 308.266 2.468 10 0 DEAERO c1cc(C[NH2+]C[C@H]2CCN2C2CCCC2)n(-c2ccccn2)n1 ZINC000623728847 365151906 /nfs/dbraw/zinc/15/19/06/365151906.db2.gz BYBVOTPNYWALAV-MRXNPFEDSA-N 1 0 311.433 2.374 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000091135269 193001603 /nfs/dbraw/zinc/00/16/03/193001603.db2.gz WCDISYWZMPAVQG-GMTAPVOTSA-N 1 0 310.385 2.319 10 0 DEAERO C[C@H](Cc1c(F)cccc1F)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091135445 193002003 /nfs/dbraw/zinc/00/20/03/193002003.db2.gz RYOALWOWDLPLPI-GHMZBOCLSA-N 1 0 314.401 2.107 10 0 DEAERO CNc1nc(CN2CCC[C@H]([NH+](C)C)C2)nc2sccc21 ZINC000091449102 193057459 /nfs/dbraw/zinc/05/74/59/193057459.db2.gz DUVVPNDXAJTZEC-NSHDSACASA-N 1 0 305.451 2.259 10 0 DEAERO [NH3+]CC1CC(Oc2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000091451632 193058697 /nfs/dbraw/zinc/05/86/97/193058697.db2.gz AIRZRRSHIWYCMW-UHFFFAOYSA-N 1 0 309.309 2.096 10 0 DEAERO CCN(CC)C(=O)C[C@H](C[NH3+])N(Cc1cccs1)C1CC1 ZINC000091322793 193040927 /nfs/dbraw/zinc/04/09/27/193040927.db2.gz RMQMAHYUHHWKLC-CQSZACIVSA-N 1 0 309.479 2.298 10 0 DEAERO CCn1ncnc1C[C@@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000091331587 193042317 /nfs/dbraw/zinc/04/23/17/193042317.db2.gz ZUYMQCACHYLDLT-LLVKDONJSA-N 1 0 313.174 2.442 10 0 DEAERO Cc1nc(NC(=O)c2ccc(NN)[nH+]c2)ccc1Br ZINC000091508580 193067434 /nfs/dbraw/zinc/06/74/34/193067434.db2.gz SLVUJDDWZZKJLI-UHFFFAOYSA-N 1 0 322.166 2.085 10 0 DEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)c(C)n1 ZINC000091507216 193067497 /nfs/dbraw/zinc/06/74/97/193067497.db2.gz APAWJSUZJMZIIA-QMMMGPOBSA-N 1 0 300.200 2.479 10 0 DEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)C(C)(C)N1CCCC1 ZINC000091535073 193069798 /nfs/dbraw/zinc/06/97/98/193069798.db2.gz SQNHZMNWJWGYEI-AWEZNQCLSA-N 1 0 304.500 2.054 10 0 DEAERO Cc1nc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])ccc1Br ZINC000091507280 193066611 /nfs/dbraw/zinc/06/66/11/193066611.db2.gz CQUZKUXGRTZMDR-VHSXEESVSA-N 1 0 312.211 2.466 10 0 DEAERO CN(C[C@H]1CC[N@H+](C)C1)c1nc(Cl)ncc1Br ZINC000091659108 193085647 /nfs/dbraw/zinc/08/56/47/193085647.db2.gz BFRKAIQALJKNPT-QMMMGPOBSA-N 1 0 319.634 2.280 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc(OC(F)F)c1 ZINC000091667721 193087738 /nfs/dbraw/zinc/08/77/38/193087738.db2.gz HCWLWBCBGTVJJH-RISCZKNCSA-N 1 0 300.349 2.269 10 0 DEAERO S=C1N=NC(c2cccs2)N1C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091674558 193088761 /nfs/dbraw/zinc/08/87/61/193088761.db2.gz MUJROZMZUYRIHE-MNOVXSKESA-N 1 0 322.459 2.159 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000091718759 193096800 /nfs/dbraw/zinc/09/68/00/193096800.db2.gz CQTMEVUVARMCBQ-CABCVRRESA-N 1 0 300.805 2.330 10 0 DEAERO CCc1nc(C)sc1C[NH+]1CCC2(CC1)[C@H](O)C[C@@H]2OC ZINC000091736942 193099403 /nfs/dbraw/zinc/09/94/03/193099403.db2.gz VHUQCPDPPJNBGA-CABCVRRESA-N 1 0 310.463 2.376 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(F)cc1Br ZINC000624235610 365345157 /nfs/dbraw/zinc/34/51/57/365345157.db2.gz NDUSVYXATKWUMG-CKLFPEKLSA-N 1 0 318.186 2.389 10 0 DEAERO [NH3+]CC1([C@@H](O)c2ccccc2OC(F)(F)F)CCOCC1 ZINC000091912091 193124839 /nfs/dbraw/zinc/12/48/39/193124839.db2.gz RVYSVDCXSFDUCW-LBPRGKRZSA-N 1 0 305.296 2.374 10 0 DEAERO CC(C)(C[NH3+])[C@@H](O)c1cc2c(c(Br)c1)OCO2 ZINC000091909222 193125010 /nfs/dbraw/zinc/12/50/10/193125010.db2.gz GXHONXJMQCVMCB-NSHDSACASA-N 1 0 302.168 2.196 10 0 DEAERO C[C@@H](C[NH3+])[C@H](O)c1cc(Br)c2c(c1)OCCCO2 ZINC000091913322 193125560 /nfs/dbraw/zinc/12/55/60/193125560.db2.gz JNBPWQCZOHGDOX-UFBFGSQYSA-N 1 0 316.195 2.239 10 0 DEAERO COc1cc(F)cc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000091928387 193127984 /nfs/dbraw/zinc/12/79/84/193127984.db2.gz FVKFDBPSLPHCHZ-IUODEOHRSA-N 1 0 323.412 2.458 10 0 DEAERO CCN(CC)C(=O)Nc1sc2c(c1C(=O)OC)CC[NH2+]C2 ZINC000091962023 193132263 /nfs/dbraw/zinc/13/22/63/193132263.db2.gz UWDHYMGXAMPOIY-UHFFFAOYSA-N 1 0 311.407 2.054 10 0 DEAERO CCC[NH2+]Cc1nc(C)ccc1OCCCS(=O)(=O)CC ZINC000091995222 193138751 /nfs/dbraw/zinc/13/87/51/193138751.db2.gz DIXSQMXLRDKQJD-UHFFFAOYSA-N 1 0 314.451 2.093 10 0 DEAERO C=C/C(C)=C/CC(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000628640562 366910980 /nfs/dbraw/zinc/91/09/80/366910980.db2.gz GHJIXTGLPMRNAD-MKMNVTDBSA-N 1 0 315.417 2.439 10 0 DEAERO COCC1(C[NH2+]Cc2c(Br)cnn2C)CCCC1 ZINC000449743541 241020284 /nfs/dbraw/zinc/02/02/84/241020284.db2.gz YUAUMHPZWRGVEI-UHFFFAOYSA-N 1 0 316.243 2.479 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000629586408 367263406 /nfs/dbraw/zinc/26/34/06/367263406.db2.gz RFCTXZKEWOFCMA-DOTOQJQBSA-N 1 0 321.417 2.035 10 0 DEAERO C[C@@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccc(NC(N)=O)cc1 ZINC000261940096 296102700 /nfs/dbraw/zinc/10/27/00/296102700.db2.gz UQRYFRZENVLDJM-BXUZGUMPSA-N 1 0 318.421 2.133 10 0 DEAERO CC[NH2+]Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1 ZINC000092113570 193161802 /nfs/dbraw/zinc/16/18/02/193161802.db2.gz ZJUKSJXEJSDAHX-ZIAGYGMSSA-N 1 0 310.463 2.381 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C)c(F)c1 ZINC000092115742 193163610 /nfs/dbraw/zinc/16/36/10/193163610.db2.gz WBTSQMRYHDYWRU-LBPRGKRZSA-N 1 0 314.426 2.498 10 0 DEAERO CC1(NS(=O)(=O)c2ccc(C[NH3+])cc2F)CCCCC1 ZINC000092116014 193163855 /nfs/dbraw/zinc/16/38/55/193163855.db2.gz NJCOIZZQZJKJNG-UHFFFAOYSA-N 1 0 300.399 2.286 10 0 DEAERO Cc1ccc(CNS(=O)(=O)c2ccc(C[NH3+])cc2F)s1 ZINC000092116040 193164044 /nfs/dbraw/zinc/16/40/44/193164044.db2.gz AEQFXPKZJGYQFE-UHFFFAOYSA-N 1 0 314.407 2.133 10 0 DEAERO c1c(C[NH2+]C[C@H]2CCc3ccccc32)nnn1C[C@@H]1CCOC1 ZINC000631069103 368000048 /nfs/dbraw/zinc/00/00/48/368000048.db2.gz MGIWYHWHOPHMJM-GOEBONIOSA-N 1 0 312.417 2.134 10 0 DEAERO c1c(C[NH2+]CCCCc2ccccc2)nnn1C[C@@H]1CCOC1 ZINC000631036370 367981234 /nfs/dbraw/zinc/98/12/34/367981234.db2.gz MHSZSHMKJHGFIC-KRWDZBQOSA-N 1 0 314.433 2.427 10 0 DEAERO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000249146767 284010289 /nfs/dbraw/zinc/01/02/89/284010289.db2.gz WYHONPJFRPQAJV-RDJZCZTQSA-N 1 0 320.433 2.301 10 0 DEAERO c1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)n(CC2CCC2)n1 ZINC000631178832 368064353 /nfs/dbraw/zinc/06/43/53/368064353.db2.gz WUHXISZCIMHJMN-SFHVURJKSA-N 1 0 318.465 2.026 10 0 DEAERO c1cc(C[NH2+]CCCOC2CCOCC2)n(CC2CCC2)n1 ZINC000631079917 368006501 /nfs/dbraw/zinc/00/65/01/368006501.db2.gz LUKAQICGLJTOGA-UHFFFAOYSA-N 1 0 307.438 2.359 10 0 DEAERO CCc1cc2c(ncnc2N2CCC[C@@](O)(C[NH+](C)C)C2)s1 ZINC000631344818 368165244 /nfs/dbraw/zinc/16/52/44/368165244.db2.gz UKNPMMNYTDVXGN-MRXNPFEDSA-N 1 0 320.462 2.147 10 0 DEAERO [NH3+][C@H]1C=C[C@H](C(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000092206759 193173637 /nfs/dbraw/zinc/17/36/37/193173637.db2.gz ATTVZJXHALUOOV-ONGXEEELSA-N 1 0 300.280 2.105 10 0 DEAERO O[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000631750785 368369468 /nfs/dbraw/zinc/36/94/68/368369468.db2.gz MIQBJLUPXBUZBP-OPRDCNLKSA-N 1 0 318.236 2.237 10 0 DEAERO COc1c(CN2CCC[C@@H]2C[NH+]2CCCCC2)c(C)nn1C ZINC000092218977 193175377 /nfs/dbraw/zinc/17/53/77/193175377.db2.gz SMJBVALMIZYNGH-OAHLLOKOSA-N 1 0 306.454 2.187 10 0 DEAERO COc1ccc(Br)c(CN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838506 368415705 /nfs/dbraw/zinc/41/57/05/368415705.db2.gz PLZGAQYCCDCRRS-PWSUYJOCSA-N 1 0 313.239 2.484 10 0 DEAERO c1ccc(-n2nnnc2CC[N@@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000451645296 243262095 /nfs/dbraw/zinc/26/20/95/243262095.db2.gz CJVHHITYGLRPTQ-HNNXBMFYSA-N 1 0 315.446 2.032 10 0 DEAERO COCC[NH2+]Cc1ccnn1C[C@@H]1Cc2ccccc2S1 ZINC000092271935 193183961 /nfs/dbraw/zinc/18/39/61/193183961.db2.gz STVZRMWDHUOTMC-HNNXBMFYSA-N 1 0 303.431 2.336 10 0 DEAERO [NH3+]C[C@H](C[C@H]1CSc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000092293064 193185739 /nfs/dbraw/zinc/18/57/39/193185739.db2.gz BLLYBHQLQIKYOQ-AGIUHOORSA-N 1 0 311.472 2.276 10 0 DEAERO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1O ZINC000093011530 193193989 /nfs/dbraw/zinc/19/39/89/193193989.db2.gz IZXZPDGCONEJES-MRXNPFEDSA-N 1 0 320.433 2.088 10 0 DEAERO CCC[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(F)cc1F ZINC000261755992 203110148 /nfs/dbraw/zinc/11/01/48/203110148.db2.gz LKNJCMOJUPMMDW-DFBGVHRSSA-N 1 0 312.360 2.429 10 0 DEAERO C[NH2+]C[C@H](Cc1ncnn1C)c1ccc(Br)cc1 ZINC000093150304 193207964 /nfs/dbraw/zinc/20/79/64/193207964.db2.gz SRHRHNNEADSJHX-NSHDSACASA-N 1 0 309.211 2.123 10 0 DEAERO C[NH2+]C[C@@H](Cc1ncnn1C)c1ccc(Br)cc1 ZINC000093150302 193208106 /nfs/dbraw/zinc/20/81/06/193208106.db2.gz SRHRHNNEADSJHX-LLVKDONJSA-N 1 0 309.211 2.123 10 0 DEAERO C[NH+]1CCC2(CC1)CC(=O)NC(=O)[C@@H]2c1ccc(Cl)cc1 ZINC000093161614 193209997 /nfs/dbraw/zinc/20/99/97/193209997.db2.gz IOLDMYPQZAKVTE-AWEZNQCLSA-N 1 0 306.793 2.182 10 0 DEAERO C[NH+]1CCC2(CC1)CC(=O)NC(=O)[C@@H]2c1ccccc1Cl ZINC000093183611 193212375 /nfs/dbraw/zinc/21/23/75/193212375.db2.gz RREGWNBIBWLFHS-AWEZNQCLSA-N 1 0 306.793 2.182 10 0 DEAERO C[NH2+][C@H](C(=O)N1CC[C@H](c2ccccc2)[C@H]1C)c1cnn(C)c1 ZINC000262525835 203319915 /nfs/dbraw/zinc/31/99/15/203319915.db2.gz LIPAKFHHTYROFQ-COXVUDFISA-N 1 0 312.417 2.085 10 0 DEAERO Cn1cc(CC2(c3ccccc3Br)C[NH2+]C2)cn1 ZINC000093197349 193214818 /nfs/dbraw/zinc/21/48/18/193214818.db2.gz ZOOSSLPEOSQECB-UHFFFAOYSA-N 1 0 306.207 2.266 10 0 DEAERO Cc1cc(C)c(CC2([C@@H]3CCS(=O)(=O)C3)C[NH2+]C2)c(C)c1 ZINC000093195381 193214963 /nfs/dbraw/zinc/21/49/63/193214963.db2.gz NUMJRSITWGNPQW-OAHLLOKOSA-N 1 0 307.459 2.179 10 0 DEAERO CCc1nn(C)c(CO[C@H]2CC[C@@H]([NH3+])C2)c1Br ZINC000093217111 193217773 /nfs/dbraw/zinc/21/77/73/193217773.db2.gz IZHDMYTZSUSKTM-BDAKNGLRSA-N 1 0 302.216 2.141 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)C[C@@H](C)CC)o1 ZINC000093265570 193222531 /nfs/dbraw/zinc/22/25/31/193222531.db2.gz ZIFGCPCEMHULAX-LBPRGKRZSA-N 1 0 302.440 2.446 10 0 DEAERO COC[C@@H]1CCC[N@H+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000093337583 193234363 /nfs/dbraw/zinc/23/43/63/193234363.db2.gz RCFGVHAAEJKSIU-CYBMUJFWSA-N 1 0 307.390 2.325 10 0 DEAERO [NH2+]=C1NC[C@H](c2ccccc2Br)N1C[C@H]1CCCO1 ZINC000093378126 193240557 /nfs/dbraw/zinc/24/05/57/193240557.db2.gz KXLXYILXEHBWHE-ZWNOBZJWSA-N 1 0 324.222 2.300 10 0 DEAERO CS(=O)(=O)c1cccc(Oc2cccc(F)c2C(N)=[NH2+])c1 ZINC000093409129 193245312 /nfs/dbraw/zinc/24/53/12/193245312.db2.gz KEDBHWYRYVEISO-UHFFFAOYSA-N 1 0 308.334 2.306 10 0 DEAERO CCOC(CNC(=O)CC[C@@H](CC[NH3+])C(C)(C)C)OCC ZINC000093447708 193252601 /nfs/dbraw/zinc/25/26/01/193252601.db2.gz KMCDPRSNVNUINT-ZDUSSCGKSA-N 1 0 302.459 2.293 10 0 DEAERO C[C@@H](C[C@@H]1CCCC[NH2+]1)Nc1cccc(NS(C)(=O)=O)c1 ZINC000093473997 193257296 /nfs/dbraw/zinc/25/72/96/193257296.db2.gz AZFVFQXHEPNSDW-STQMWFEESA-N 1 0 311.451 2.391 10 0 DEAERO C[C@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1cccc(O)c1 ZINC000262812356 203408218 /nfs/dbraw/zinc/40/82/18/203408218.db2.gz QIJKVBGFSKVCGX-JSGCOSHPSA-N 1 0 314.389 2.004 10 0 DEAERO CCC[NH2+][C@H](CC)[C@@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698144 193292720 /nfs/dbraw/zinc/29/27/20/193292720.db2.gz URICSEFWOMBIGY-SOUVJXGZSA-N 1 0 304.500 2.462 10 0 DEAERO CC[C@@H]1CCC[C@@]([NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093699220 193293228 /nfs/dbraw/zinc/29/32/28/193293228.db2.gz OZNWHTMKKSXXGI-ILXRZTDVSA-N 1 0 302.484 2.346 10 0 DEAERO Cc1ccc([C@@](C)([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093699147 193293338 /nfs/dbraw/zinc/29/33/38/193293338.db2.gz KDDTUEVNNUOHFB-HOCLYGCPSA-N 1 0 310.463 2.231 10 0 DEAERO CCC[NH2+][C@H](CSCC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700429 193293857 /nfs/dbraw/zinc/29/38/57/193293857.db2.gz XTFWQEWVQPUENV-KBPBESRZSA-N 1 0 322.540 2.169 10 0 DEAERO CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccsc1 ZINC000093699919 193294065 /nfs/dbraw/zinc/29/40/65/193294065.db2.gz KPFCZGOWKDWGOA-JSGCOSHPSA-N 1 0 316.492 2.460 10 0 DEAERO Cc1cccc([C@@H](C[NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093701654 193295150 /nfs/dbraw/zinc/29/51/50/193295150.db2.gz QVOXZKBNYMIVHS-GDBMZVCRSA-N 1 0 310.463 2.099 10 0 DEAERO C[C@@H]1CCC[C@@](C[NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093702771 193295325 /nfs/dbraw/zinc/29/53/25/193295325.db2.gz OJEGRYFOGUTLQT-ILXRZTDVSA-N 1 0 302.484 2.203 10 0 DEAERO CCN[C@]1(C(=O)OC)CCC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756621 193302123 /nfs/dbraw/zinc/30/21/23/193302123.db2.gz CTWYVPBSOZPPBL-WCQYABFASA-N 1 0 310.360 2.335 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093777608 193305062 /nfs/dbraw/zinc/30/50/62/193305062.db2.gz YFNKPTJRHLNQOK-ZUZCIYMTSA-N 1 0 304.419 2.041 10 0 DEAERO [NH3+][C@]1(CO)CCC[C@@H](Oc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000093785832 193307466 /nfs/dbraw/zinc/30/74/66/193307466.db2.gz QUOGVPIXSNDKBE-CAAJLBCPSA-N 1 0 311.250 2.393 10 0 DEAERO CC(C)([NH3+])c1cn(Cc2cc(F)cc(Br)c2)nn1 ZINC000094002042 193337972 /nfs/dbraw/zinc/33/79/72/193337972.db2.gz CQJQSCZPZZEOEA-UHFFFAOYSA-N 1 0 313.174 2.422 10 0 DEAERO CCOC(=O)[C@]1([NH3+])CC[C@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093850329 193318100 /nfs/dbraw/zinc/31/81/00/193318100.db2.gz CXHHLSBOICZDRC-BONVTDFDSA-N 1 0 305.403 2.468 10 0 DEAERO C[NH2+][C@]1(CO)CC[C@@H](Sc2ncccc2Br)C1 ZINC000093861001 193319797 /nfs/dbraw/zinc/31/97/97/193319797.db2.gz YDKNCWKJJXJKFQ-BXKDBHETSA-N 1 0 317.252 2.439 10 0 DEAERO CCC[NH2+][C@@H](Cc1csc(C)n1)[C@@H]1CN(CCC)CCO1 ZINC000093921237 193328924 /nfs/dbraw/zinc/32/89/24/193328924.db2.gz QWIMKUVXBSQAIT-HOTGVXAUSA-N 1 0 311.495 2.473 10 0 DEAERO CC[NH2+][C@@H](Cc1ccncc1Cl)[C@H]1CN(C(C)C)CCO1 ZINC000093927576 193329156 /nfs/dbraw/zinc/32/91/56/193329156.db2.gz RFDFYICFPMLXFY-JKSUJKDBSA-N 1 0 311.857 2.365 10 0 DEAERO CC(C)C[NH2+]Cc1cc(F)c(SC[C@H](O)CO)c(F)c1 ZINC000093960676 193331736 /nfs/dbraw/zinc/33/17/36/193331736.db2.gz GGYJSBRMWRRGKJ-LLVKDONJSA-N 1 0 305.390 2.156 10 0 DEAERO CC(C)(C)[NH2+]Cc1cc(F)c(SC[C@@H](O)CO)c(F)c1 ZINC000093960733 193331843 /nfs/dbraw/zinc/33/18/43/193331843.db2.gz ZVZHECZUMRVLGK-JTQLQIEISA-N 1 0 305.390 2.298 10 0 DEAERO CC[NH2+][C@@H](CSC[C@H](O)CO)C12CC3CC(CC(C3)C1)C2 ZINC000093962041 193331867 /nfs/dbraw/zinc/33/18/67/193331867.db2.gz GXCVPSFYLRMYQT-ZDNWDLKRSA-N 1 0 313.507 2.267 10 0 DEAERO CC(C)(C)c1csc(C[C@H]([NH3+])[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000094256928 193355309 /nfs/dbraw/zinc/35/53/09/193355309.db2.gz SFEZDEXUHQRZQA-FRRDWIJNSA-N 1 0 309.479 2.174 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CCS(C)(=O)=O ZINC000094297396 193356688 /nfs/dbraw/zinc/35/66/88/193356688.db2.gz VOILHYLVCXBHMJ-KGLIPLIRSA-N 1 0 318.870 2.095 10 0 DEAERO CN(C)C(=O)c1ccc(Cl)c(NC(=O)CC2([NH3+])CCC2)c1 ZINC000094293682 193357063 /nfs/dbraw/zinc/35/70/63/193357063.db2.gz FNVFKASUYNGSHG-UHFFFAOYSA-N 1 0 309.797 2.252 10 0 DEAERO CCC[NH2+][C@H]1CCC(C)(C)C[C@H]1CN(C)CCS(C)(=O)=O ZINC000094300362 193357810 /nfs/dbraw/zinc/35/78/10/193357810.db2.gz FRQCNHYBZPSSAN-GJZGRUSLSA-N 1 0 318.527 2.157 10 0 DEAERO CN(CCS(C)(=O)=O)c1ccc(F)cc1C[NH2+]C(C)(C)C ZINC000094299168 193357944 /nfs/dbraw/zinc/35/79/44/193357944.db2.gz ZWAYXWKKODNNLM-UHFFFAOYSA-N 1 0 316.442 2.195 10 0 DEAERO CN(CCS(C)(=O)=O)Cc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000094300900 193358792 /nfs/dbraw/zinc/35/87/92/193358792.db2.gz OLONOJWDIIYIPK-UHFFFAOYSA-N 1 0 312.479 2.051 10 0 DEAERO CN(CC(F)(F)F)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336685 193361128 /nfs/dbraw/zinc/36/11/28/193361128.db2.gz DCOJGOKRPHIFFL-UHFFFAOYSA-N 1 0 300.206 2.383 10 0 DEAERO NC(=[NH2+])c1ccc(C(F)(F)F)nc1Sc1nncs1 ZINC000094337079 193361390 /nfs/dbraw/zinc/36/13/90/193361390.db2.gz RNWWTFYWKOPWQN-UHFFFAOYSA-N 1 0 305.310 2.387 10 0 DEAERO CCC(CC)(C[NH3+])Nc1nc(C(F)(F)F)ccc1C(N)=O ZINC000094337469 193361430 /nfs/dbraw/zinc/36/14/30/193361430.db2.gz FQVVQYAXYLEYAW-UHFFFAOYSA-N 1 0 304.316 2.129 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094340916 193361766 /nfs/dbraw/zinc/36/17/66/193361766.db2.gz YHOBOQNKAGUOLZ-BXKDBHETSA-N 1 0 302.827 2.006 10 0 DEAERO CC(C)NC(=O)COc1c(F)cc(C[NH2+]C(C)C)cc1F ZINC000094347438 193363325 /nfs/dbraw/zinc/36/33/25/193363325.db2.gz FYQXNPJMFSFLBF-UHFFFAOYSA-N 1 0 300.349 2.366 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(OCC(=O)NC(C)C)c(F)c1 ZINC000094347210 193363528 /nfs/dbraw/zinc/36/35/28/193363528.db2.gz QFKONQUTPVOPKP-UHFFFAOYSA-N 1 0 300.349 2.368 10 0 DEAERO C[NH2+]Cc1cc(F)c(O[C@H](C)C(=O)NCC(C)C)c(F)c1 ZINC000094346562 193363722 /nfs/dbraw/zinc/36/37/22/193363722.db2.gz LKADBIKETWGPDZ-SNVBAGLBSA-N 1 0 300.349 2.224 10 0 DEAERO CC(C)N(CC1CC[NH2+]CC1)c1ncncc1Br ZINC000094044065 193340879 /nfs/dbraw/zinc/34/08/79/193340879.db2.gz CXOMKZYDLLSUFE-UHFFFAOYSA-N 1 0 313.243 2.454 10 0 DEAERO Nc1c[nH+]ccc1N1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094052684 193341732 /nfs/dbraw/zinc/34/17/32/193341732.db2.gz PPVPBXAALXAOIN-UHFFFAOYSA-N 1 0 307.760 2.178 10 0 DEAERO Cc1ccccc1CCNC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000094186762 193347633 /nfs/dbraw/zinc/34/76/33/193347633.db2.gz QHNPIDRWTDHQQB-UHFFFAOYSA-N 1 0 304.781 2.302 10 0 DEAERO CCC([NH3+])(CC)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000094244632 193354595 /nfs/dbraw/zinc/35/45/95/193354595.db2.gz JYBWZTCGJBHGPZ-STQMWFEESA-N 1 0 300.468 2.017 10 0 DEAERO CC[NH2+][C@H](Cc1ccccn1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641758 193388777 /nfs/dbraw/zinc/38/87/77/193388777.db2.gz OXVNIAZRSUZHFU-CWRNSKLLSA-N 1 0 310.463 2.206 10 0 DEAERO COc1ccccc1C[C@H]([NH3+])[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641881 193389175 /nfs/dbraw/zinc/38/91/75/193389175.db2.gz IFJNRLAJYWJYAG-QEJZJMRPSA-N 1 0 311.447 2.168 10 0 DEAERO COC(=O)C[C@@H](NC(=O)[C@@H](C[NH3+])CC(C)C)c1cccs1 ZINC000094697890 193391407 /nfs/dbraw/zinc/39/14/07/193391407.db2.gz YYRXMAPNECZSLF-VXGBXAGGSA-N 1 0 312.435 2.090 10 0 DEAERO CC(C)[N@H+](CC(N)=S)[C@H]1CCOC2(CCSCC2)C1 ZINC000094376159 193367332 /nfs/dbraw/zinc/36/73/32/193367332.db2.gz MKEDTRKQSMAULY-LBPRGKRZSA-N 1 0 302.509 2.428 10 0 DEAERO CC[C@H](C)[C@@H]1CN(CCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094420608 193368981 /nfs/dbraw/zinc/36/89/81/193368981.db2.gz ZMMZQLBPBIYYHY-ZFWWWQNUSA-N 1 0 310.463 2.056 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1C(N)=S ZINC000094460659 193372164 /nfs/dbraw/zinc/37/21/64/193372164.db2.gz DXEIJUBAGQQOGO-BXUZGUMPSA-N 1 0 307.438 2.128 10 0 DEAERO C[C@@H]1SCCC[C@@]1(C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000094478705 193372399 /nfs/dbraw/zinc/37/23/99/193372399.db2.gz UBXRGRXQYZZDBZ-RDJZCZTQSA-N 1 0 305.491 2.422 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1c1nc(Br)cn2ccnc12 ZINC000094490621 193373350 /nfs/dbraw/zinc/37/33/50/193373350.db2.gz KYBHDDOQYLNAAM-JTQLQIEISA-N 1 0 324.226 2.022 10 0 DEAERO C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@H]1CSCCS1 ZINC000094499560 193374445 /nfs/dbraw/zinc/37/44/45/193374445.db2.gz ZABJTKSSXIWSQP-GXSJLCMTSA-N 1 0 305.900 2.361 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000094549863 193378787 /nfs/dbraw/zinc/37/87/87/193378787.db2.gz SZMUVZNUFYBVGU-WPRPVWTQSA-N 1 0 315.186 2.398 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2cc(F)ccc2Br)C1 ZINC000094548860 193378918 /nfs/dbraw/zinc/37/89/18/193378918.db2.gz AHJQGHRJKWYKHO-PSASIEDQSA-N 1 0 315.186 2.398 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)O1 ZINC000094569997 193380452 /nfs/dbraw/zinc/38/04/52/193380452.db2.gz RPGWDBJVIHCZGO-KWQFWETISA-N 1 0 306.259 2.289 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1N ZINC000094596072 193382476 /nfs/dbraw/zinc/38/24/76/193382476.db2.gz NMWKTSZRVPPHQN-UHFFFAOYSA-N 1 0 303.328 2.358 10 0 DEAERO Nc1c(C(=O)NCC[NH+]2CCCC2)cccc1C(F)(F)F ZINC000094599012 193382977 /nfs/dbraw/zinc/38/29/77/193382977.db2.gz WHMQOTGIINNYKI-UHFFFAOYSA-N 1 0 301.312 2.113 10 0 DEAERO [NH3+]CC1(Nc2nc3ccc(Br)cn3n2)CCCC1 ZINC000094608315 193384522 /nfs/dbraw/zinc/38/45/22/193384522.db2.gz PPQUTEXOZJPFSW-UHFFFAOYSA-N 1 0 310.199 2.175 10 0 DEAERO NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1ccncc1 ZINC000094615088 193384640 /nfs/dbraw/zinc/38/46/40/193384640.db2.gz GLCMMKXIUMRJLX-WBMJQRKESA-N 1 0 305.447 2.340 10 0 DEAERO CCC[NH2+][C@H](Cc1nc(C)cs1)[C@H]1CN(C(C)C)CCO1 ZINC000094974634 193410514 /nfs/dbraw/zinc/41/05/14/193410514.db2.gz CKAFQFRPHCVUBL-HUUCEWRRSA-N 1 0 311.495 2.471 10 0 DEAERO Cc1cc(F)c([C@@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)cc1F ZINC000094737219 193394175 /nfs/dbraw/zinc/39/41/75/193394175.db2.gz CURIWTNVYGWQKD-SNVBAGLBSA-N 1 0 320.405 2.252 10 0 DEAERO CC[NH2+][C@@H](C)c1cc(F)c(C)cc1N1CCS(=O)(=O)CC1 ZINC000094765782 193396616 /nfs/dbraw/zinc/39/66/16/193396616.db2.gz VTUPJONLUZMTRQ-LBPRGKRZSA-N 1 0 314.426 2.039 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)C1 ZINC000094801011 193398951 /nfs/dbraw/zinc/39/89/51/193398951.db2.gz KFIXMDHOWUFOPM-UHFFFAOYSA-N 1 0 314.426 2.485 10 0 DEAERO Cc1c(F)cc(C[NH3+])cc1S(=O)(=O)N1CCC(C)(C)C1 ZINC000094814885 193399877 /nfs/dbraw/zinc/39/98/77/193399877.db2.gz QZIDVIULPKEHCA-UHFFFAOYSA-N 1 0 300.399 2.013 10 0 DEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000282449641 217003028 /nfs/dbraw/zinc/00/30/28/217003028.db2.gz SJBURQKYJKTCJD-IONNQARKSA-N 1 0 303.225 2.267 10 0 DEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000282457146 217010414 /nfs/dbraw/zinc/01/04/14/217010414.db2.gz STWUUPZVRRSFQH-QPUJVOFHSA-N 1 0 315.186 2.345 10 0 DEAERO O=C(Nc1cccc(-n2cccn2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000264744458 204123066 /nfs/dbraw/zinc/12/30/66/204123066.db2.gz PZTVNPJXNYIDAU-MRXNPFEDSA-N 1 0 311.389 2.184 10 0 DEAERO COC(=O)[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1CC1 ZINC000358810512 284287321 /nfs/dbraw/zinc/28/73/21/284287321.db2.gz FZVCWNRIDFRULD-DLBZAZTESA-N 1 0 302.418 2.365 10 0 DEAERO Cc1nn(C)c(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000282629467 217136402 /nfs/dbraw/zinc/13/64/02/217136402.db2.gz GEGUEDXDYYERBJ-LLVKDONJSA-N 1 0 310.442 2.382 10 0 DEAERO CCCOCC[C@@H](Cc1c(Br)c(C)nn1C)[NH2+]C ZINC000097278638 193703528 /nfs/dbraw/zinc/70/35/28/193703528.db2.gz MBWLNQRFLRAGGB-NSHDSACASA-N 1 0 318.259 2.438 10 0 DEAERO CC[NH2+][C@H](c1cncc(F)c1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097312883 193706990 /nfs/dbraw/zinc/70/69/90/193706990.db2.gz CFIXRIBGINFFEW-CQDKDKBSSA-N 1 0 314.426 2.475 10 0 DEAERO C[C@H](C[NH2+]Cc1c(Cl)cnn1C)N(C)C(=O)OC(C)(C)C ZINC000282836037 217282444 /nfs/dbraw/zinc/28/24/44/217282444.db2.gz OKUUSPXITIQLDX-SNVBAGLBSA-N 1 0 316.833 2.419 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1c(F)cccc1Br ZINC000161092783 197464039 /nfs/dbraw/zinc/46/40/39/197464039.db2.gz UMZNXJVCGWZWIN-VHSXEESVSA-N 1 0 301.159 2.198 10 0 DEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccccc2OC(F)(F)F)CCO1 ZINC000019230433 182109257 /nfs/dbraw/zinc/10/92/57/182109257.db2.gz DAUMYULOVILZIK-JQWIXIFHSA-N 1 0 304.312 2.306 10 0 DEAERO CCCSC[C@H]([NH3+])c1c(Br)cnn1CCOC ZINC000160061219 197382660 /nfs/dbraw/zinc/38/26/60/197382660.db2.gz YATHUIXNJHEAOH-JTQLQIEISA-N 1 0 322.272 2.435 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000267452358 206078675 /nfs/dbraw/zinc/07/86/75/206078675.db2.gz FQCNBHORNPELGU-MRXNPFEDSA-N 1 0 315.417 2.201 10 0 DEAERO C[NH+](C)C1(CNc2c(Cl)cnn(CC3CC3)c2=O)CCC1 ZINC000097934340 193767129 /nfs/dbraw/zinc/76/71/29/193767129.db2.gz ZVAVODZOMJVMAT-UHFFFAOYSA-N 1 0 310.829 2.203 10 0 DEAERO C[C@@H]([NH3+])Cc1cc(Cl)cc(Cl)c1OC[C@H](C)C(N)=O ZINC000037729011 182921164 /nfs/dbraw/zinc/92/11/64/182921164.db2.gz YOQULFDUHUHILU-JGVFFNPUSA-N 1 0 305.205 2.383 10 0 DEAERO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)CCCOc1ccccc1C(N)=O ZINC000467356025 248700117 /nfs/dbraw/zinc/70/01/17/248700117.db2.gz SUKLXVFACGPYKI-RDBSUJKOSA-N 1 0 308.422 2.346 10 0 DEAERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2F)C1 ZINC000040452310 183068270 /nfs/dbraw/zinc/06/82/70/183068270.db2.gz MUBAHVCCASKORA-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO COc1ccc(/C=C\C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1O ZINC000492408953 249058698 /nfs/dbraw/zinc/05/86/98/249058698.db2.gz UHXXKZNRFJUAAP-DDJMYBDESA-N 1 0 316.401 2.111 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cc(Cl)cc3cccnc32)C1 ZINC000040632683 183111385 /nfs/dbraw/zinc/11/13/85/183111385.db2.gz WLPWKEAWFCZMEH-YPMHNXCESA-N 1 0 305.765 2.204 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cc(Cl)cc3cccnc32)C1 ZINC000040632684 183111414 /nfs/dbraw/zinc/11/14/14/183111414.db2.gz WLPWKEAWFCZMEH-AAEUAGOBSA-N 1 0 305.765 2.204 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000040633565 183111493 /nfs/dbraw/zinc/11/14/93/183111493.db2.gz WWQJLHJJCVTDRK-DGCLKSJQSA-N 1 0 312.797 2.443 10 0 DEAERO CC(C)([NH2+][C@H]1CCOc2ccc(Br)cc21)C(N)=O ZINC000040674698 183116024 /nfs/dbraw/zinc/11/60/24/183116024.db2.gz JWJCESBGWZVJAS-JTQLQIEISA-N 1 0 313.195 2.126 10 0 DEAERO COc1ccc(CC(=O)NCC(C)(C)[NH+]2CCCC2)cc1OC ZINC000040616119 183110083 /nfs/dbraw/zinc/11/00/83/183110083.db2.gz XSNLFXUGNYJHLA-UHFFFAOYSA-N 1 0 320.433 2.237 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)CCC[NH3+])c(C(F)(F)F)c1 ZINC000040856305 183143134 /nfs/dbraw/zinc/14/31/34/183143134.db2.gz IEFCJRIBLHGQQW-UHFFFAOYSA-N 1 0 303.284 2.341 10 0 DEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000040750532 183128575 /nfs/dbraw/zinc/12/85/75/183128575.db2.gz XNEJUVGSHMBEPP-CLYYMRHHSA-N 1 0 316.373 2.141 10 0 DEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ccccc1S(=O)(=O)C(F)F ZINC000040750537 183128622 /nfs/dbraw/zinc/12/86/22/183128622.db2.gz YTYZYZRQPMWYNV-FGWVZKOKSA-N 1 0 316.373 2.141 10 0 DEAERO C[NH+]1CCC(OC(=O)c2ccc(Br)c(N)c2)CC1 ZINC000041086565 183164212 /nfs/dbraw/zinc/16/42/12/183164212.db2.gz BBAGCVMVDQBFIV-UHFFFAOYSA-N 1 0 313.195 2.282 10 0 DEAERO Cc1cc(NCCN2CC[NH+](C)CC2)ccc1Br ZINC000041563169 183203085 /nfs/dbraw/zinc/20/30/85/183203085.db2.gz CATUKUBIOVXCTE-UHFFFAOYSA-N 1 0 312.255 2.417 10 0 DEAERO O=S1(=O)CC[C@H](Nc2c3c([nH+]c4ccccc42)CCC3)C1 ZINC000041473011 183193275 /nfs/dbraw/zinc/19/32/75/183193275.db2.gz AMAIFCSVKHHGRZ-NSHDSACASA-N 1 0 302.399 2.323 10 0 DEAERO CS(=O)(=O)c1ccc(Cn2ccc3c2CCC[C@H]3[NH3+])cc1 ZINC000041722899 183218674 /nfs/dbraw/zinc/21/86/74/183218674.db2.gz WFDZARDGMNNICH-OAHLLOKOSA-N 1 0 304.415 2.276 10 0 DEAERO CC(C)[N@H+](C)CCCCNC(=O)C1(C(N)=S)CCCCC1 ZINC000041680884 183216060 /nfs/dbraw/zinc/21/60/60/183216060.db2.gz LTCHLKVDWFTQSG-UHFFFAOYSA-N 1 0 313.511 2.460 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)NCc1cc(Br)ccc1F ZINC000042171708 183237967 /nfs/dbraw/zinc/23/79/67/183237967.db2.gz MBDJAZAUBLOJAQ-NSHDSACASA-N 1 0 315.186 2.347 10 0 DEAERO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Br)o1 ZINC000493636930 249346305 /nfs/dbraw/zinc/34/63/05/249346305.db2.gz ZYBBWBBQRQESJO-BXKUYDPTSA-N 1 0 313.195 2.395 10 0 DEAERO CCN(CC)C(=O)COc1c(Br)cccc1C[NH3+] ZINC000042411356 183264981 /nfs/dbraw/zinc/26/49/81/183264981.db2.gz CNKRFTJIYJKKDR-UHFFFAOYSA-N 1 0 315.211 2.155 10 0 DEAERO CCOC(=O)COc1c(Br)cccc1C[C@@H](C)[NH3+] ZINC000042412730 183266979 /nfs/dbraw/zinc/26/69/79/183266979.db2.gz IAZGPPGDWWFJAA-SECBINFHSA-N 1 0 316.195 2.281 10 0 DEAERO COC[C@@H](C)N(C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042517780 183279415 /nfs/dbraw/zinc/27/94/15/183279415.db2.gz FOHWYGVBRPFPAF-MFKMUULPSA-N 1 0 301.228 2.416 10 0 DEAERO COCC[N@H+](CCOc1ccc(C(N)=S)cc1)CC(C)C ZINC000042369222 183259761 /nfs/dbraw/zinc/25/97/61/183259761.db2.gz PCMRNLWERBPXFV-UHFFFAOYSA-N 1 0 310.463 2.304 10 0 DEAERO NC(=[NH2+])c1ccc(OCCN(CC(F)(F)F)C2CC2)cc1 ZINC000042767870 183306195 /nfs/dbraw/zinc/30/61/95/183306195.db2.gz CLJCFRXIJITQFO-UHFFFAOYSA-N 1 0 301.312 2.376 10 0 DEAERO CCN(CCC(=O)Nc1cccc(C[NH3+])c1)CC(F)(F)F ZINC000042739583 183304013 /nfs/dbraw/zinc/30/40/13/183304013.db2.gz NJHDHIUTJDNDKI-UHFFFAOYSA-N 1 0 303.328 2.358 10 0 DEAERO COc1cccc([C@H](C[NH3+])N(C)Cc2cscn2)c1OC ZINC000042863796 183315319 /nfs/dbraw/zinc/31/53/19/183315319.db2.gz RFTHMLMSJIDHJC-ZDUSSCGKSA-N 1 0 307.419 2.292 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCC(C(N)=O)CC1 ZINC000042944572 183320004 /nfs/dbraw/zinc/32/00/04/183320004.db2.gz ULXRXZYXVMZHBZ-HUUCEWRRSA-N 1 0 309.841 2.316 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CCO ZINC000042953973 183321887 /nfs/dbraw/zinc/32/18/87/183321887.db2.gz VQEDCVSNWVNRAF-QWHCGFSZSA-N 1 0 301.228 2.152 10 0 DEAERO CC(=O)N1CCCN([C@@H](c2cccc(Cl)c2)[C@@H](C)[NH3+])CC1 ZINC000043016369 183327658 /nfs/dbraw/zinc/32/76/58/183327658.db2.gz MPSZMOKMWKNXMT-MLGOLLRUSA-N 1 0 309.841 2.283 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCC(O)CC1 ZINC000043019954 183328753 /nfs/dbraw/zinc/32/87/53/183328753.db2.gz SDGIQWNOWANVPY-QMTHXVAHSA-N 1 0 313.239 2.294 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1nnnn1C1CCCC1)c1ccccn1 ZINC000043344519 183356695 /nfs/dbraw/zinc/35/66/95/183356695.db2.gz NVOSCJQVGOZTND-ZWNOBZJWSA-N 1 0 304.423 2.364 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1nnnn1C1CCCC1)c1ccncc1 ZINC000043363183 183357463 /nfs/dbraw/zinc/35/74/63/183357463.db2.gz WXBRMQLORXIMMS-ZWNOBZJWSA-N 1 0 304.423 2.364 10 0 DEAERO [NH3+]Cc1cc2c(nc1-n1cc(Br)cn1)CCCC2 ZINC000043409903 183359947 /nfs/dbraw/zinc/35/99/47/183359947.db2.gz SIHVAOKEEMKNTR-UHFFFAOYSA-N 1 0 307.195 2.367 10 0 DEAERO CCC(C)(C)NC(=O)[C@H](C)[N@H+](CCC(N)=S)CC(C)C ZINC000043418474 183360784 /nfs/dbraw/zinc/36/07/84/183360784.db2.gz NVOIFZSLOHSBQK-LBPRGKRZSA-N 1 0 301.500 2.314 10 0 DEAERO C[NH2+][C@H]1CCC2(C[C@H]1N(CC(F)(F)F)C(C)C)OCCO2 ZINC000043984017 183391844 /nfs/dbraw/zinc/39/18/44/183391844.db2.gz AZANDNQEQWDVAW-NWDGAFQWSA-N 1 0 310.360 2.143 10 0 DEAERO COc1ccc([C@@H]2CN(C(C)C)C(=O)[C@@]23CCC[NH2+]C3)cc1 ZINC000044137346 183396567 /nfs/dbraw/zinc/39/65/67/183396567.db2.gz AGEPXFCPNYYNHB-FUHWJXTLSA-N 1 0 302.418 2.399 10 0 DEAERO C[C@@H](C[NH2+]CCOc1ccc(Br)cc1)N(C)C ZINC000045107476 183481961 /nfs/dbraw/zinc/48/19/61/183481961.db2.gz LOZMAGPXGMINQC-NSHDSACASA-N 1 0 301.228 2.368 10 0 DEAERO CCc1ncsc1-c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000274120081 211372792 /nfs/dbraw/zinc/37/27/92/211372792.db2.gz WJPXABCXEFUBSK-GXSJLCMTSA-N 1 0 306.391 2.291 10 0 DEAERO [NH3+][C@H]1C[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000159797757 197365202 /nfs/dbraw/zinc/36/52/02/197365202.db2.gz QXVOUSCJPBAULR-DTWKUNHWSA-N 1 0 323.112 2.297 10 0 DEAERO Cc1nc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c(C)s1 ZINC000274060732 211318649 /nfs/dbraw/zinc/31/86/49/211318649.db2.gz ROGCGUMLXPDBSO-GHMZBOCLSA-N 1 0 306.391 2.346 10 0 DEAERO CCC[NH2+][C@@](C)(CCCN(CC(F)(F)F)C1CC1)C(N)=O ZINC000045420743 183505721 /nfs/dbraw/zinc/50/57/21/183505721.db2.gz IDDXJXQFVODHMR-ZDUSSCGKSA-N 1 0 309.376 2.037 10 0 DEAERO CCC(CC)NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000105071913 194069337 /nfs/dbraw/zinc/06/93/37/194069337.db2.gz ZFPUMRCQNOTZFC-HOTGVXAUSA-N 1 0 324.513 2.375 10 0 DEAERO O=C(NCCc1ccccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105085938 194072249 /nfs/dbraw/zinc/07/22/49/194072249.db2.gz SKWJLVZJYAYUSB-HNNXBMFYSA-N 1 0 305.397 2.248 10 0 DEAERO CC(C)c1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)nn1C(C)(C)C ZINC000105566240 194110139 /nfs/dbraw/zinc/11/01/39/194110139.db2.gz RFNNYCOGIYZBFG-CYBMUJFWSA-N 1 0 306.454 2.443 10 0 DEAERO Cc1noc(CC[NH2+]Cc2csc(-c3ccccn3)n2)n1 ZINC000105469603 194106735 /nfs/dbraw/zinc/10/67/35/194106735.db2.gz OPUOIDYEJZRXRK-UHFFFAOYSA-N 1 0 301.375 2.229 10 0 DEAERO O=C(c1coc(Br)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186545496 284758156 /nfs/dbraw/zinc/75/81/56/284758156.db2.gz ZKMDSLAVNMWEQF-JTQLQIEISA-N 1 0 313.195 2.399 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H]1CCCc2c1cnn2C ZINC000157563366 284758612 /nfs/dbraw/zinc/75/86/12/284758612.db2.gz DRNJKQDQUVFUEE-ZFWWWQNUSA-N 1 0 321.469 2.169 10 0 DEAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874078 194153718 /nfs/dbraw/zinc/15/37/18/194153718.db2.gz HSMDZXWWQVRMAQ-KBPBESRZSA-N 1 0 321.469 2.001 10 0 DEAERO CC[NH2+]CCS(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000049644356 183751271 /nfs/dbraw/zinc/75/12/71/183751271.db2.gz JEXHKAHYJAKXNI-UHFFFAOYSA-N 1 0 314.304 2.196 10 0 DEAERO COCCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[C@H](C)[NH3+] ZINC000050209220 183777708 /nfs/dbraw/zinc/77/77/08/183777708.db2.gz JSRDSIVIOFOMIT-WDEREUQCSA-N 1 0 314.813 2.280 10 0 DEAERO CCNc1snnc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000050814623 183805140 /nfs/dbraw/zinc/80/51/40/183805140.db2.gz HHMXPYKXFGMKGU-UHFFFAOYSA-N 1 0 309.483 2.420 10 0 DEAERO C[C@@H](C[NH3+])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000109453985 194264622 /nfs/dbraw/zinc/26/46/22/194264622.db2.gz BKHLHNVIZXUSSC-VIFPVBQESA-N 1 0 322.762 2.223 10 0 DEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(c2nc(CC)cs2)CC1 ZINC000109471762 194267574 /nfs/dbraw/zinc/26/75/74/194267574.db2.gz BITIPHUBHCDDQI-LBPRGKRZSA-N 1 0 312.508 2.282 10 0 DEAERO CN(C)C(=O)C1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000051230201 183820143 /nfs/dbraw/zinc/82/01/43/183820143.db2.gz QHFZVWHDLWPDHJ-UHFFFAOYSA-N 1 0 318.461 2.436 10 0 DEAERO Cc1ncc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)s1 ZINC000109756047 194283056 /nfs/dbraw/zinc/28/30/56/194283056.db2.gz AYGZTURYMZQJKF-HNNXBMFYSA-N 1 0 308.495 2.053 10 0 DEAERO C[NH2+]CCc1noc(-c2ccc(Br)cc2F)n1 ZINC000051850874 183838887 /nfs/dbraw/zinc/83/88/87/183838887.db2.gz MCPFQMWUGIWZMB-UHFFFAOYSA-N 1 0 300.131 2.400 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1NC1CCC([NH3+])CC1 ZINC000051693901 183834358 /nfs/dbraw/zinc/83/43/58/183834358.db2.gz JEPQSJJYECPVDZ-UHFFFAOYSA-N 1 0 311.451 2.055 10 0 DEAERO CCOC(=O)COc1ccc(Br)cc1[C@@H](C)[NH3+] ZINC000052066586 183849150 /nfs/dbraw/zinc/84/91/50/183849150.db2.gz KCBRKKDKSHIQBM-MRVPVSSYSA-N 1 0 302.168 2.411 10 0 DEAERO CC[NH2+]C[C@H](CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950703 183881552 /nfs/dbraw/zinc/88/15/52/183881552.db2.gz QTMCTQCRBCXORV-LSDHHAIUSA-N 1 0 311.447 2.116 10 0 DEAERO CS(=O)(=O)CC[NH2+]CCOc1cc(Cl)cc(Cl)c1 ZINC000053588908 183907387 /nfs/dbraw/zinc/90/73/87/183907387.db2.gz BSKJDCSLNKFKKW-UHFFFAOYSA-N 1 0 312.218 2.006 10 0 DEAERO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1CN1CCS(=O)CC1 ZINC000053873216 183915274 /nfs/dbraw/zinc/91/52/74/183915274.db2.gz SZFFCIZSUOTWQQ-XHSDSOJGSA-N 1 0 300.512 2.245 10 0 DEAERO O=S(=O)(c1ccccc1NCC[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000110798261 194359974 /nfs/dbraw/zinc/35/99/74/194359974.db2.gz JRPIIHUPUSTRDX-SNVBAGLBSA-N 1 0 322.352 2.392 10 0 DEAERO CN(CC(=O)N1CCC[C@@H]1c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000110930798 194371194 /nfs/dbraw/zinc/37/11/94/194371194.db2.gz LYCJZEBCNMPBDH-ZIAGYGMSSA-N 1 0 307.463 2.095 10 0 DEAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000110942461 194372280 /nfs/dbraw/zinc/37/22/80/194372280.db2.gz ZKEGMAPEYNDLPK-ZDUSSCGKSA-N 1 0 314.426 2.287 10 0 DEAERO CCCN(Cc1csc(C(=O)OCC)n1)[C@H]1CCC[NH2+]C1 ZINC000110946415 194373365 /nfs/dbraw/zinc/37/33/65/194373365.db2.gz HUXMABZKMWNYLJ-ZDUSSCGKSA-N 1 0 311.451 2.284 10 0 DEAERO CCCc1nc(N(CCCOC)CCOC)sc1C[NH2+]C ZINC000055000423 183957127 /nfs/dbraw/zinc/95/71/27/183957127.db2.gz TXHXXGVGRRGETA-UHFFFAOYSA-N 1 0 315.483 2.304 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N(C)CC[NH+](C)C ZINC000111139130 194394671 /nfs/dbraw/zinc/39/46/71/194394671.db2.gz VSNHWZHFNDEPGS-UHFFFAOYSA-N 1 0 316.243 2.294 10 0 DEAERO COc1cccc(COC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000111241156 194410691 /nfs/dbraw/zinc/41/06/91/194410691.db2.gz SZKDPNWJVZMDAF-ZDUSSCGKSA-N 1 0 303.280 2.280 10 0 DEAERO CN1CC[C@H](CNC(=O)NC2CC[NH+](C)CC2)c2ccccc21 ZINC000057336327 184033732 /nfs/dbraw/zinc/03/37/32/184033732.db2.gz GRTVJHCJZWQKGF-CQSZACIVSA-N 1 0 316.449 2.004 10 0 DEAERO c1c[nH]c(C2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)n1 ZINC000535084088 284881034 /nfs/dbraw/zinc/88/10/34/284881034.db2.gz ZZBCPUVVRIQGEB-UHFFFAOYSA-N 1 0 312.421 2.180 10 0 DEAERO COCCNC(=O)[C@@H](C)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000157899276 197224342 /nfs/dbraw/zinc/22/43/42/197224342.db2.gz OCDMONXENZMJGZ-MFKMUULPSA-N 1 0 312.410 2.103 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1 ZINC000060416571 184149247 /nfs/dbraw/zinc/14/92/47/184149247.db2.gz UYXSNONHVCCPLV-VIFPVBQESA-N 1 0 317.311 2.020 10 0 DEAERO O=C(c1ccc(Br)o1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000060079426 184143874 /nfs/dbraw/zinc/14/38/74/184143874.db2.gz QKGLTVGFGHYQET-SNVBAGLBSA-N 1 0 313.195 2.352 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000061230723 184166681 /nfs/dbraw/zinc/16/66/81/184166681.db2.gz BSQQMXPVGTUZKN-UTUOFQBUSA-N 1 0 310.360 2.238 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000061290612 184167832 /nfs/dbraw/zinc/16/78/32/184167832.db2.gz FSTNIQGKXNTQMP-UHFFFAOYSA-N 1 0 305.300 2.349 10 0 DEAERO COCC[N@H+](C)CCNc1ccc(N)cc1Br ZINC000061377998 184169500 /nfs/dbraw/zinc/16/95/00/184169500.db2.gz BKTMLFDZKVHBRB-UHFFFAOYSA-N 1 0 302.216 2.021 10 0 DEAERO COc1ccc(NS(=O)(=O)CC[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000061568495 184175216 /nfs/dbraw/zinc/17/52/16/184175216.db2.gz OINSXKNVQVVFBK-CYBMUJFWSA-N 1 0 312.435 2.278 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1ccc(Cl)s1 ZINC000061592659 184175448 /nfs/dbraw/zinc/17/54/48/184175448.db2.gz IEXFIKDKECWERS-YLWLKBPMSA-N 1 0 304.828 2.004 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccc(C)o1 ZINC000061594717 184176009 /nfs/dbraw/zinc/17/60/09/184176009.db2.gz VZLWWGLTBFZSIH-ZYHUDNBSSA-N 1 0 308.407 2.378 10 0 DEAERO Cc1ccc([C@H](Sc2n[nH]c(=O)n2C2CC2)[C@@H](C)[NH3+])cc1 ZINC000061594516 184176036 /nfs/dbraw/zinc/17/60/36/184176036.db2.gz SUDAMEPNENZQIS-ZWNOBZJWSA-N 1 0 304.419 2.395 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1cccc(F)c1 ZINC000061594437 184176194 /nfs/dbraw/zinc/17/61/94/184176194.db2.gz ZWAUYRKKHIWHMJ-NEPJUHHUSA-N 1 0 310.398 2.301 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C(C)C)c1ccncc1 ZINC000061595090 184176420 /nfs/dbraw/zinc/17/64/20/184176420.db2.gz ALXQJRVPYJZCLA-NEPJUHHUSA-N 1 0 307.423 2.118 10 0 DEAERO O=C(c1cc(-c2ccco2)on1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604781 184177121 /nfs/dbraw/zinc/17/71/21/184177121.db2.gz ATTPSJFMUUAZKC-UHFFFAOYSA-N 1 0 301.346 2.245 10 0 DEAERO CC(C)(CC(N)=O)C[C@@H]([NH3+])c1cc2c(cc1Cl)OCCO2 ZINC000061825433 184188937 /nfs/dbraw/zinc/18/89/37/184188937.db2.gz VDDKLNGKTPKHIQ-LLVKDONJSA-N 1 0 312.797 2.403 10 0 DEAERO [NH3+]Cc1ccccc1CNS(=O)(=O)c1ccccc1Cl ZINC000061841266 184189277 /nfs/dbraw/zinc/18/92/77/184189277.db2.gz BIGINVNAZXLLJV-UHFFFAOYSA-N 1 0 310.806 2.277 10 0 DEAERO C[C@@H](CCNS(=O)(=O)C[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000061911528 184195002 /nfs/dbraw/zinc/19/50/02/184195002.db2.gz IIQZNNVKIAPSQF-GOEBONIOSA-N 1 0 310.463 2.242 10 0 DEAERO CCC[C@H]1CC[C@@H](O)[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000061942865 184197898 /nfs/dbraw/zinc/19/78/98/184197898.db2.gz YOXRIGQFXIINLX-BFHYXJOUSA-N 1 0 308.388 2.496 10 0 DEAERO CC(C)Cc1nc(C(=O)NCCC[NH+](C)C)c2ccccn12 ZINC000062066172 184203873 /nfs/dbraw/zinc/20/38/73/184203873.db2.gz XKARLKOEDVHEIR-UHFFFAOYSA-N 1 0 302.422 2.214 10 0 DEAERO COCCC[NH+]1[C@@H](C)CN(C(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000062090778 184205453 /nfs/dbraw/zinc/20/54/53/184205453.db2.gz ZVPAUCOUIHYJRD-GJZGRUSLSA-N 1 0 320.433 2.267 10 0 DEAERO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCn2ccnc2C1 ZINC000062246181 184225220 /nfs/dbraw/zinc/22/52/20/184225220.db2.gz SSRVZYUCKXUIMC-CYBMUJFWSA-N 1 0 321.222 2.161 10 0 DEAERO CCC(=O)N1CCC(c2ccccc2)([NH+]2CCOCC2)CC1 ZINC000062554658 184242306 /nfs/dbraw/zinc/24/23/06/184242306.db2.gz IVGCBZOBCISPED-UHFFFAOYSA-N 1 0 302.418 2.247 10 0 DEAERO Cc1ccccc1-c1noc(CC(=O)NCC(C)(C)[NH+](C)C)n1 ZINC000062364814 184232898 /nfs/dbraw/zinc/23/28/98/184232898.db2.gz CTELMRUHIQLAPY-UHFFFAOYSA-N 1 0 316.405 2.044 10 0 DEAERO Cc1nc(C)n(-c2nc3sccn3c2C[NH2+]CC(C)C)n1 ZINC000062738793 184251736 /nfs/dbraw/zinc/25/17/36/184251736.db2.gz XWCKTYNILLLKNS-UHFFFAOYSA-N 1 0 304.423 2.339 10 0 DEAERO CCC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H]1CCS(=O)(=O)C1 ZINC000062747183 184251882 /nfs/dbraw/zinc/25/18/82/184251882.db2.gz RNGIEUGCSZOANU-DGCLKSJQSA-N 1 0 315.410 2.452 10 0 DEAERO [NH3+][C@H](CNC(=O)c1cncc(Br)c1)c1ccccc1 ZINC000062837963 184255768 /nfs/dbraw/zinc/25/57/68/184255768.db2.gz FLXAVEFJDMUDRA-CYBMUJFWSA-N 1 0 320.190 2.274 10 0 DEAERO C[C@]1(C(=O)Nc2cc(Cl)ccc2-n2cccn2)CC[NH2+]C1 ZINC000062894141 184258833 /nfs/dbraw/zinc/25/88/33/184258833.db2.gz MMAUCXYAHGYTKI-HNNXBMFYSA-N 1 0 304.781 2.464 10 0 DEAERO CC[NH2+][C@H](CCSc1cccc(Br)c1)C(N)=O ZINC000062604196 184244916 /nfs/dbraw/zinc/24/49/16/184244916.db2.gz MEPTUTAGMYLBGB-LLVKDONJSA-N 1 0 317.252 2.395 10 0 DEAERO CC[NH2+][C@@H](CCSc1ccc(C(F)(F)F)cn1)C(N)=O ZINC000062599036 184244949 /nfs/dbraw/zinc/24/49/49/184244949.db2.gz ACKKDKFGUWLZHM-VIFPVBQESA-N 1 0 307.341 2.046 10 0 DEAERO C[NH2+]Cc1ccc(OCc2nnc(C)o2)c(Br)c1 ZINC000062700779 184247532 /nfs/dbraw/zinc/24/75/32/184247532.db2.gz YCYFYAZIVNGSEE-UHFFFAOYSA-N 1 0 312.167 2.439 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)NCc1ccccc1Cl ZINC000063195175 184278065 /nfs/dbraw/zinc/27/80/65/184278065.db2.gz MVKJCBLZZNBNCZ-SWLSCSKDSA-N 1 0 309.841 2.158 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2[NH3+])cc1F ZINC000063213467 184278449 /nfs/dbraw/zinc/27/84/49/184278449.db2.gz HGIKLYVKUHWUKY-KBPBESRZSA-N 1 0 300.399 2.072 10 0 DEAERO CCOc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000063213712 184278907 /nfs/dbraw/zinc/27/89/07/184278907.db2.gz ZNJZZBGIZPRGRC-GJZGRUSLSA-N 1 0 312.435 2.024 10 0 DEAERO C[C@H]1[NH2+]CCCN(Cc2cc(F)ccc2Br)C1=O ZINC000063215235 184279028 /nfs/dbraw/zinc/27/90/28/184279028.db2.gz OSSAQKVAGNRZED-SECBINFHSA-N 1 0 315.186 2.299 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000063213901 184279081 /nfs/dbraw/zinc/27/90/81/184279081.db2.gz MPWRYTIUHHGSFF-IUCAKERBSA-N 1 0 308.856 2.340 10 0 DEAERO C[C@@H]1[NH2+]CCCN(Cc2ccc(Br)s2)C1=O ZINC000063215162 184279086 /nfs/dbraw/zinc/27/90/86/184279086.db2.gz ZZYKFGZPBXQHMF-QMMMGPOBSA-N 1 0 303.225 2.221 10 0 DEAERO Nc1cc(Br)cnc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062975919 184264138 /nfs/dbraw/zinc/26/41/38/184264138.db2.gz WBEVAAVQEVYRAG-NSHDSACASA-N 1 0 311.227 2.101 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2NN)C1 ZINC000062985092 184264843 /nfs/dbraw/zinc/26/48/43/184264843.db2.gz AGQVYGIOEBIZCQ-GFCCVEGCSA-N 1 0 310.829 2.182 10 0 DEAERO CC(C)(C)C(=[NH2+])N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000062990909 184264845 /nfs/dbraw/zinc/26/48/45/184264845.db2.gz KWKRQNMCMLSQFU-UHFFFAOYSA-N 1 0 309.435 2.016 10 0 DEAERO COc1cccc(C[NH2+]C(C)C)c1OCCCS(C)(=O)=O ZINC000063014387 184266328 /nfs/dbraw/zinc/26/63/28/184266328.db2.gz DRYNVDXTUBKDSN-UHFFFAOYSA-N 1 0 315.435 2.007 10 0 DEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)Cc1ccc(F)cc1Cl ZINC000063017394 184266845 /nfs/dbraw/zinc/26/68/45/184266845.db2.gz PLXMNSQXLHHXON-LBPRGKRZSA-N 1 0 307.818 2.434 10 0 DEAERO CC(C)(C[NH3+])NC(=O)c1cc(Br)cn1C1CC1 ZINC000063020485 184267301 /nfs/dbraw/zinc/26/73/01/184267301.db2.gz JYCGJQSDYGDDNO-UHFFFAOYSA-N 1 0 300.200 2.053 10 0 DEAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)NCCC(F)(F)F)c1 ZINC000063101548 184271113 /nfs/dbraw/zinc/27/11/13/184271113.db2.gz HPKPRNGQNIBBON-LLVKDONJSA-N 1 0 310.341 2.327 10 0 DEAERO CNc1ncc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1Cl ZINC000063125778 184271499 /nfs/dbraw/zinc/27/14/99/184271499.db2.gz LMFCUGHLFSPWQY-UHFFFAOYSA-N 1 0 310.829 2.191 10 0 DEAERO CCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH2+]C)cc1 ZINC000063168229 184275692 /nfs/dbraw/zinc/27/56/92/184275692.db2.gz IMBNDIBZOLIZFV-OAHLLOKOSA-N 1 0 310.463 2.402 10 0 DEAERO Cn1cc(Br)cc1C(=O)Nc1cccc(C[NH3+])c1 ZINC000063190937 184277236 /nfs/dbraw/zinc/27/72/36/184277236.db2.gz KWFDYVQRPFVGIW-UHFFFAOYSA-N 1 0 308.179 2.499 10 0 DEAERO CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)C(=O)Nc1cc(C)on1 ZINC000065401540 184336910 /nfs/dbraw/zinc/33/69/10/184336910.db2.gz GMBWRPRDYKEZLV-KBPBESRZSA-N 1 0 315.373 2.293 10 0 DEAERO C[N@@H+]1CCC2(C1)CCN(C(=O)CCOc1ccccc1)CC2 ZINC000065526602 184359767 /nfs/dbraw/zinc/35/97/67/184359767.db2.gz PBAGUZRAMZHXBI-UHFFFAOYSA-N 1 0 302.418 2.400 10 0 DEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000066068132 184386367 /nfs/dbraw/zinc/38/63/67/184386367.db2.gz KDIIIBMGQAVJRH-CYBMUJFWSA-N 1 0 305.422 2.495 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000066150135 184392717 /nfs/dbraw/zinc/39/27/17/184392717.db2.gz DPVCKKAICXGDRY-ZIAGYGMSSA-N 1 0 320.437 2.043 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccncc3)cc2)CC1 ZINC000114162391 194636494 /nfs/dbraw/zinc/63/64/94/194636494.db2.gz CJAVZHXIRYKUCY-UHFFFAOYSA-N 1 0 310.401 2.476 10 0 DEAERO CCCC[C@@](CC)(C[NH3+])N1CCSC[C@@H]1S(=O)(=O)CC ZINC000117477192 194826003 /nfs/dbraw/zinc/82/60/03/194826003.db2.gz LPAJIRUVAZHHIF-KBPBESRZSA-N 1 0 322.540 2.094 10 0 DEAERO COc1cc(OC)c(Nc2cc(NN)[nH+]c(C)n2)cc1Cl ZINC000161427695 197494806 /nfs/dbraw/zinc/49/48/06/197494806.db2.gz VPSACXJJVVBIQB-UHFFFAOYSA-N 1 0 309.757 2.485 10 0 DEAERO CCC[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccccn1 ZINC000537938888 285021977 /nfs/dbraw/zinc/02/19/77/285021977.db2.gz VGCIUCYIMWAACZ-CYBMUJFWSA-N 1 0 313.467 2.230 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CSc1ccc(F)c(F)c1 ZINC000538314256 285031311 /nfs/dbraw/zinc/03/13/11/285031311.db2.gz AXUYMOMYSAOKFO-UHFFFAOYSA-N 1 0 302.390 2.467 10 0 DEAERO COc1cc(N)c(Cl)cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000119607229 195001455 /nfs/dbraw/zinc/00/14/55/195001455.db2.gz IGJOAFKAPLYJBJ-UHFFFAOYSA-N 1 0 311.813 2.097 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C)c2)[C@H](C)C1 ZINC000119704550 195022712 /nfs/dbraw/zinc/02/27/12/195022712.db2.gz FTWVKRDWCYLNQC-ZBFHGGJFSA-N 1 0 317.433 2.122 10 0 DEAERO O=C1Cc2ccccc2N1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194014795 296352415 /nfs/dbraw/zinc/35/24/15/296352415.db2.gz DICIXOCNRBKVIU-ZTFGCOKTSA-N 1 0 312.413 2.123 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(-c2ccncc2)on1 ZINC000119862187 195051408 /nfs/dbraw/zinc/05/14/08/195051408.db2.gz ZEFAOIWMYXORMM-LBPRGKRZSA-N 1 0 302.378 2.197 10 0 DEAERO CCC1(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCCC1 ZINC000119906299 195059037 /nfs/dbraw/zinc/05/90/37/195059037.db2.gz HXLPVBHQKKPXCW-OAHLLOKOSA-N 1 0 311.470 2.103 10 0 DEAERO O=C(Nc1nccs1)[C@H]1CCCN1CCC[NH+]1CCCC1 ZINC000119959954 195070500 /nfs/dbraw/zinc/07/05/00/195070500.db2.gz ZRTKXIXBDNYWQT-CYBMUJFWSA-N 1 0 308.451 2.032 10 0 DEAERO CNc1snc(C)c1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119944379 195066873 /nfs/dbraw/zinc/06/68/73/195066873.db2.gz JHLCYIWXPKBBOI-UHFFFAOYSA-N 1 0 310.467 2.343 10 0 DEAERO CC[C@H]1CCC[C@H]1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000539079334 285069239 /nfs/dbraw/zinc/06/92/39/285069239.db2.gz XXIJYZNEPVYKBH-DOTOQJQBSA-N 1 0 307.482 2.099 10 0 DEAERO C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cn[nH]c1 ZINC000270163263 208223909 /nfs/dbraw/zinc/22/39/09/208223909.db2.gz ALJOYMOLLFZAPM-ZDUSSCGKSA-N 1 0 305.426 2.131 10 0 DEAERO CCOc1ccc(NC(=O)[C@@H]([NH3+])CCCOC)cc1Cl ZINC000159266350 197341495 /nfs/dbraw/zinc/34/14/95/197341495.db2.gz GCBXDQKYTCWMSS-LBPRGKRZSA-N 1 0 300.786 2.431 10 0 DEAERO CC[C@H]1C[NH2+][C@@H](c2ccccc2)CN1C1CCS(=O)CC1 ZINC000159195684 197334996 /nfs/dbraw/zinc/33/49/96/197334996.db2.gz RWFRRTJKZAFQBW-DILDSAGESA-N 1 0 306.475 2.323 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NC[C@H](C)C(C)C)cc(C)c1F ZINC000159121630 197329733 /nfs/dbraw/zinc/32/97/33/197329733.db2.gz AOQHFVIICDMBEJ-LBPRGKRZSA-N 1 0 316.442 2.424 10 0 DEAERO Cc1cc(S(=O)(=O)NC2(C)CCCC2)cc(C[NH3+])c1F ZINC000159122563 197329739 /nfs/dbraw/zinc/32/97/39/197329739.db2.gz WNCNPPAOTHJEFO-UHFFFAOYSA-N 1 0 300.399 2.204 10 0 DEAERO CC(C)c1cc(C(=O)N2CCSC(C)(C)C2)cc(NN)[nH+]1 ZINC000159086598 197325804 /nfs/dbraw/zinc/32/58/04/197325804.db2.gz YLJFMIJMLSNZAY-UHFFFAOYSA-N 1 0 308.451 2.458 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCCCCC2)cc(C[NH3+])c1F ZINC000159052464 197322948 /nfs/dbraw/zinc/32/29/48/197322948.db2.gz WCYXVJKMOQNBQQ-UHFFFAOYSA-N 1 0 300.399 2.158 10 0 DEAERO Cc1ccccc1-n1cc(C(=O)N(C)CCC[NH+](C)C)cn1 ZINC000540516390 285119404 /nfs/dbraw/zinc/11/94/04/285119404.db2.gz DRIRXDRIWWTOCJ-UHFFFAOYSA-N 1 0 300.406 2.204 10 0 DEAERO CCCN(CC)c1ccc(C(=O)N(C)CCC[NH+](C)C)cn1 ZINC000540515241 285119419 /nfs/dbraw/zinc/11/94/19/285119419.db2.gz CXBBCWSDKBSOTA-UHFFFAOYSA-N 1 0 306.454 2.342 10 0 DEAERO Cc1cc(C[NH3+])cnc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000158927639 197312377 /nfs/dbraw/zinc/31/23/77/197312377.db2.gz XGUGXYQIWCABAC-UHFFFAOYSA-N 1 0 308.428 2.403 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000540517511 285119961 /nfs/dbraw/zinc/11/99/61/285119961.db2.gz OJTLMEVYWDQQHE-QGZVFWFLSA-N 1 0 320.433 2.268 10 0 DEAERO CC(C)[NH+](CCNC(=O)[C@H](C)Oc1cccc(CO)c1)C(C)C ZINC000158893367 197309641 /nfs/dbraw/zinc/30/96/41/197309641.db2.gz QEBFBADLWWBGAF-HNNXBMFYSA-N 1 0 322.449 2.181 10 0 DEAERO CNc1ncc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000158897201 197309509 /nfs/dbraw/zinc/30/95/09/197309509.db2.gz UYMGXROLWVNUCL-NWDGAFQWSA-N 1 0 308.813 2.133 10 0 DEAERO C[C@@H](CCn1cccn1)[NH2+][C@@H](Cc1ccccc1)CN(C)C ZINC000158672583 197292512 /nfs/dbraw/zinc/29/25/12/197292512.db2.gz VJUJQBKZEKAUBG-WMZOPIPTSA-N 1 0 300.450 2.424 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)s1 ZINC000158745298 197298220 /nfs/dbraw/zinc/29/82/20/197298220.db2.gz QLJMWCIXFZOIIO-RYUDHWBXSA-N 1 0 314.476 2.278 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Br)cc1)[C@@H](O)c1ncccn1 ZINC000158505905 197279737 /nfs/dbraw/zinc/27/97/37/197279737.db2.gz CRWYGKNGIPTXNV-NWDGAFQWSA-N 1 0 308.179 2.015 10 0 DEAERO C[C@H]1OCC[C@H]1[N@H+](C)CCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000158153780 197248304 /nfs/dbraw/zinc/24/83/04/197248304.db2.gz GSSBVZKFORNIDJ-QMTHXVAHSA-N 1 0 311.813 2.360 10 0 DEAERO C[C@H]1CN(CCNC(=O)c2ccc(-c3ccccc3)o2)CCO1 ZINC000541425275 285164889 /nfs/dbraw/zinc/16/48/89/285164889.db2.gz NORQOMPHGZWIIQ-AWEZNQCLSA-N 1 0 314.385 2.397 10 0 DEAERO Cc1nn(C)c(C)c1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000157612136 197201719 /nfs/dbraw/zinc/20/17/19/197201719.db2.gz WQLYHCWCYQBRGR-CYBMUJFWSA-N 1 0 320.481 2.410 10 0 DEAERO CCOC(=O)[C@@](C)(CCCC[N@H+](C)CCOC(C)C)NC ZINC000157498957 197192313 /nfs/dbraw/zinc/19/23/13/197192313.db2.gz XAZSMUVQYASELH-MRXNPFEDSA-N 1 0 302.459 2.055 10 0 DEAERO CCc1cccnc1-c1noc(-c2csc(CC[NH3+])n2)n1 ZINC000157267944 197175326 /nfs/dbraw/zinc/17/53/26/197175326.db2.gz SSTDKRMCZYLYJX-UHFFFAOYSA-N 1 0 301.375 2.319 10 0 DEAERO CC(C)[N@H+](C)CC1CCN(C(=O)c2nnc(Cl)s2)CC1 ZINC000157226218 197170816 /nfs/dbraw/zinc/17/08/16/197170816.db2.gz MWRNBISEBPKRQX-UHFFFAOYSA-N 1 0 316.858 2.384 10 0 DEAERO Cc1cc(Br)cn(CC[NH2+]Cc2ccoc2)c1=O ZINC000156978142 197153603 /nfs/dbraw/zinc/15/36/03/197153603.db2.gz XFBPJMMDOKAHLN-UHFFFAOYSA-N 1 0 311.179 2.302 10 0 DEAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000156910024 197149290 /nfs/dbraw/zinc/14/92/90/197149290.db2.gz DGFAWDMQHLCCNJ-KFWWJZLASA-N 1 0 311.422 2.344 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1C(=O)C1(C)CC1 ZINC000156861183 197145351 /nfs/dbraw/zinc/14/53/51/197145351.db2.gz HOLMPEKHOJYLGT-UHFFFAOYSA-N 1 0 300.200 2.190 10 0 DEAERO COCCN[C@]1(c2nc3c(s2)CCC3)CC[N@H+](C)[C@@H](C)C1 ZINC000156689128 197134230 /nfs/dbraw/zinc/13/42/30/197134230.db2.gz QAVILSAGNKVFII-BLLLJJGKSA-N 1 0 309.479 2.177 10 0 DEAERO C[C@](O)(Cc1ccc(C(F)(F)F)cc1)C[C@H]1COCC[NH2+]1 ZINC000156779979 197140580 /nfs/dbraw/zinc/14/05/80/197140580.db2.gz ZUEVQSJMCLKBJH-KBPBESRZSA-N 1 0 303.324 2.377 10 0 DEAERO O=C1[C@@H]([NH2+][C@H]2CCC23CCOCC3)CCN1c1ccccc1 ZINC000558622326 291896514 /nfs/dbraw/zinc/89/65/14/291896514.db2.gz XJBHCQJUNHVIOI-HOTGVXAUSA-N 1 0 300.402 2.341 10 0 DEAERO O=C1[C@H]([NH2+][C@@H]2CCC23CCOCC3)CCN1c1ccccc1 ZINC000558622327 291896528 /nfs/dbraw/zinc/89/65/28/291896528.db2.gz XJBHCQJUNHVIOI-HZPDHXFCSA-N 1 0 300.402 2.341 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])c2ccnc(C)n2)c1Br ZINC000156519823 197120352 /nfs/dbraw/zinc/12/03/52/197120352.db2.gz RDPSRJUWDTYPAF-VIFPVBQESA-N 1 0 324.226 2.086 10 0 DEAERO O=C1C[C@H]([NH2+]C[C@@H]2CCCCS2)C(=O)N1c1ccccc1 ZINC000156412619 197111167 /nfs/dbraw/zinc/11/11/67/197111167.db2.gz JJAFUSXANNMFAB-KBPBESRZSA-N 1 0 304.415 2.194 10 0 DEAERO O=C(NCC[C@H]1CC[NH2+]C1)c1cccc(F)c1Br ZINC000155990857 197079183 /nfs/dbraw/zinc/07/91/83/197079183.db2.gz YHAHXYHECRFMJO-SECBINFHSA-N 1 0 315.186 2.318 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1C[NH3+])[S@](=O)c1cccs1 ZINC000155971190 197078302 /nfs/dbraw/zinc/07/83/02/197078302.db2.gz WWWZUHBMIRATLO-CFMSYZGJSA-N 1 0 308.428 2.342 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1cccc(F)c1Br ZINC000155985574 197077995 /nfs/dbraw/zinc/07/79/95/197077995.db2.gz BDVKHUMDRIKLJB-NXEZZACHSA-N 1 0 301.159 2.198 10 0 DEAERO CCC[C@@H](C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)[NH+](C)C ZINC000155631812 197074061 /nfs/dbraw/zinc/07/40/61/197074061.db2.gz MVKGTKKKGHSFCX-GJZGRUSLSA-N 1 0 306.454 2.431 10 0 DEAERO Cc1cc2c(n1C[C@H]1CCCS1(=O)=O)CC(C)(C)C[C@@H]2[NH3+] ZINC000155462286 197057107 /nfs/dbraw/zinc/05/71/07/197057107.db2.gz LZSFBWXJKOHVTO-OCCSQVGLSA-N 1 0 310.463 2.346 10 0 DEAERO COc1ccc([C@H]2C[C@H](C)[N@H+](CCCS(C)(=O)=O)C2)cc1 ZINC000155281814 197039995 /nfs/dbraw/zinc/03/99/95/197039995.db2.gz RPCUELNDHWZASS-ZFWWWQNUSA-N 1 0 311.447 2.308 10 0 DEAERO C[NH2+]CCN(C)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000120387912 195155923 /nfs/dbraw/zinc/15/59/23/195155923.db2.gz UQAZYESPPYVVIZ-UHFFFAOYSA-N 1 0 317.437 2.427 10 0 DEAERO C[NH2+]CCN(C)C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000120458446 195170957 /nfs/dbraw/zinc/17/09/57/195170957.db2.gz WBYHXQQPJQKTMV-STQMWFEESA-N 1 0 311.223 2.230 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Cl)ccc2F)C[C@@H]1C ZINC000120641165 195207367 /nfs/dbraw/zinc/20/73/67/195207367.db2.gz XHPNAEXFEMLAPV-NWDGAFQWSA-N 1 0 300.805 2.366 10 0 DEAERO CC[C@@H]1CN(Cc2cc(OC)cc(OC)c2)CC[N@@H+]1CCOC ZINC000120938497 195267631 /nfs/dbraw/zinc/26/76/31/195267631.db2.gz AOSRUAQZXXEEKJ-MRXNPFEDSA-N 1 0 322.449 2.246 10 0 DEAERO COC[C@@H]1C[N@H+](C)C[C@]12CCN(C(=O)c1ccccc1C)C2 ZINC000248129391 257108328 /nfs/dbraw/zinc/10/83/28/257108328.db2.gz MSONMPZMTXEDSO-YJBOKZPZSA-N 1 0 302.418 2.035 10 0 DEAERO Cc1ccc(C[N@@H+]2C[C@@H]3OC[C@@H](c4nc(C)no4)[C@@H]3C2)s1 ZINC000248041543 257110677 /nfs/dbraw/zinc/11/06/77/257110677.db2.gz TZAAWUCGKINQER-MJBXVCDLSA-N 1 0 305.403 2.362 10 0 DEAERO Cc1ccccc1C[N@H+]1CC[C@@H]2OCC[C@]2(C(=O)N(C)C)C1 ZINC000247985118 257112544 /nfs/dbraw/zinc/11/25/44/257112544.db2.gz KFQAABZRFQKQQL-WMZOPIPTSA-N 1 0 302.418 2.064 10 0 DEAERO COCCN1CCO[C@@H]2CC[N@H+](Cc3cccc(F)c3C)C[C@H]21 ZINC000253598307 257105407 /nfs/dbraw/zinc/10/54/07/257105407.db2.gz HLFTXMIOZSFDQA-QZTJIDSGSA-N 1 0 322.424 2.056 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)c(O)c2)C[C@H]1CC ZINC000120995644 195277281 /nfs/dbraw/zinc/27/72/81/195277281.db2.gz OFJLMGXIEXNCIC-MRXNPFEDSA-N 1 0 322.449 2.334 10 0 DEAERO CC1(C)Cc2cc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)ccc2O1 ZINC000121002978 195278508 /nfs/dbraw/zinc/27/85/08/195278508.db2.gz LKKGJQSVYUBYJI-QGZVFWFLSA-N 1 0 316.445 2.307 10 0 DEAERO CCSCC[C@@H](C[NH2+]CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000122517850 195461942 /nfs/dbraw/zinc/46/19/42/195461942.db2.gz SOYLKLPCGDGRQA-UONOGXRCSA-N 1 0 307.525 2.426 10 0 DEAERO COCc1cc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)ccc1OC ZINC000123442940 195583172 /nfs/dbraw/zinc/58/31/72/195583172.db2.gz ULRYLEYMXXFLCK-HUUCEWRRSA-N 1 0 322.449 2.213 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)CCSC)cc1 ZINC000124158966 195610623 /nfs/dbraw/zinc/61/06/23/195610623.db2.gz YOYLKIUPXIYOOK-UHFFFAOYSA-N 1 0 316.492 2.170 10 0 DEAERO CC(C)[C@@H](O)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000124894150 195690681 /nfs/dbraw/zinc/69/06/81/195690681.db2.gz QRIFXFLVTJWGOH-GWCFXTLKSA-N 1 0 322.232 2.340 10 0 DEAERO C[NH2+]C[C@H]1CN(Cc2csc(-c3ccsc3)n2)CCO1 ZINC000126345799 195831741 /nfs/dbraw/zinc/83/17/41/195831741.db2.gz YSNROQQROFUHOY-ZDUSSCGKSA-N 1 0 309.460 2.292 10 0 DEAERO COC[C@@]1(C2CC2)C[NH+]=C(N)N1c1ccc(Br)cc1 ZINC000127270666 195862513 /nfs/dbraw/zinc/86/25/13/195862513.db2.gz HSBQKOFNACHMRP-CQSZACIVSA-N 1 0 324.222 2.379 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@H](OC)C(C)C)c1Br ZINC000127519799 195885058 /nfs/dbraw/zinc/88/50/58/195885058.db2.gz VLKLAMNSTMFQIF-NOZJJQNGSA-N 1 0 318.259 2.286 10 0 DEAERO Nc1ccc(Br)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128423127 195962876 /nfs/dbraw/zinc/96/28/76/195962876.db2.gz MNZXEERLLNXEGL-CYBMUJFWSA-N 1 0 310.239 2.311 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(-n2cnnn2)cc1 ZINC000187848564 533432631 /nfs/dbraw/zinc/43/26/31/533432631.db2.gz KMXBMGPEPPMDJS-IUODEOHRSA-N 1 0 301.394 2.271 10 0 DEAERO C[C@@H](NC(=O)c1cccc2ncnn21)[C@@H](c1ccccc1)[NH+](C)C ZINC000545317734 285422370 /nfs/dbraw/zinc/42/23/70/285422370.db2.gz UZZCRAATBLICTP-DYVFJYSZSA-N 1 0 323.400 2.151 10 0 DEAERO C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc(Br)cn1 ZINC000562738390 292007515 /nfs/dbraw/zinc/00/75/15/292007515.db2.gz VVSUYDGPWZQYLI-SNVBAGLBSA-N 1 0 309.211 2.471 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H]([NH2+]CCCC2CCCCC2)C1 ZINC000347889808 132798563 /nfs/dbraw/zinc/79/85/63/132798563.db2.gz XQEOCXRLNDIQJF-OAHLLOKOSA-N 1 0 302.484 2.361 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000357985116 133113508 /nfs/dbraw/zinc/11/35/08/133113508.db2.gz JDGALORGAJRBMS-ZDUSSCGKSA-N 1 0 315.421 2.237 10 0 DEAERO CC1=CCN(CC[NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000358165240 133125375 /nfs/dbraw/zinc/12/53/75/133125375.db2.gz LAZBHQQXFPRNQC-UHFFFAOYSA-N 1 0 315.461 2.265 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)OC(C)C ZINC000358268244 133131998 /nfs/dbraw/zinc/13/19/98/133131998.db2.gz XHRGRHYUJROJDP-HUUCEWRRSA-N 1 0 312.454 2.343 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[C@@H]2C)[C@H](C)C1 ZINC000360482770 133184979 /nfs/dbraw/zinc/18/49/79/133184979.db2.gz NQZYPESQZGKKFQ-FZKCQIBNSA-N 1 0 311.470 2.079 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)Oc1ccc(OC)cc1 ZINC000361937741 133200389 /nfs/dbraw/zinc/20/03/89/133200389.db2.gz IVKRFMCUGHPQRP-WMLDXEAASA-N 1 0 320.433 2.453 10 0 DEAERO c1ccn2c(c1)nnc2C[C@@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000368655150 133282108 /nfs/dbraw/zinc/28/21/08/133282108.db2.gz HXHOOZCFEJUHMK-HNNXBMFYSA-N 1 0 312.417 2.331 10 0 DEAERO O=C(NOCc1ccc(F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376842193 133309828 /nfs/dbraw/zinc/30/98/28/133309828.db2.gz LOCWMFPIRSIABO-HUUCEWRRSA-N 1 0 307.369 2.183 10 0 DEAERO Cc1ccccc1-n1cc(CN2CCC[C@H](c3nnc[nH]3)C2)nn1 ZINC000377623712 133337940 /nfs/dbraw/zinc/33/79/40/133337940.db2.gz KEBQUVRPSKQAIK-AWEZNQCLSA-N 1 0 323.404 2.073 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCC1CC[NH+](C)CC1)CC2 ZINC000372464189 133354878 /nfs/dbraw/zinc/35/48/78/133354878.db2.gz IXHSVUBENBDKPE-AWEZNQCLSA-N 1 0 318.465 2.096 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)C2(C)COC2)[C@H]1c1cccs1 ZINC000372932057 133371099 /nfs/dbraw/zinc/37/10/99/133371099.db2.gz VVFQZPZGTMWRFL-JSGCOSHPSA-N 1 0 308.447 2.284 10 0 DEAERO Cc1c([C@@H](C)NC(=O)NC2CC([NH+]3CCCCC3)C2)cnn1C ZINC000373431011 133390727 /nfs/dbraw/zinc/39/07/27/133390727.db2.gz NLYGLVPSNXLQGC-LRVUVFPRSA-N 1 0 319.453 2.106 10 0 DEAERO c1[nH]nc2c1C[C@H](c1nc(-c3ccn4c[nH+]cc4c3)no1)CC2 ZINC000279632662 285591015 /nfs/dbraw/zinc/59/10/15/285591015.db2.gz UVOWERKBXSJTQB-LLVKDONJSA-N 1 0 306.329 2.380 10 0 DEAERO Cc1cc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)ccc1F ZINC000299741201 533673445 /nfs/dbraw/zinc/67/34/45/533673445.db2.gz DQCBMUJJTKHMCO-GHMZBOCLSA-N 1 0 304.287 2.148 10 0 DEAERO CO[C@@H]1CCN(C(=O)c2cccc(Cl)c2F)[C@H](C[NH3+])C1 ZINC000167228759 285710083 /nfs/dbraw/zinc/71/00/83/285710083.db2.gz UMBYGDPHNUUYBT-VHSXEESVSA-N 1 0 300.761 2.057 10 0 DEAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000564859472 292115900 /nfs/dbraw/zinc/11/59/00/292115900.db2.gz HUTLZOLKZSCHCZ-BQFCYCMXSA-N 1 0 303.402 2.265 10 0 DEAERO CC(C)c1ccccc1NC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105927257 144625090 /nfs/dbraw/zinc/62/50/90/144625090.db2.gz FKZCFNVTQMFUGJ-OAHLLOKOSA-N 1 0 319.449 2.011 10 0 DEAERO C[C@@H]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344986525 404484855 /nfs/dbraw/zinc/48/48/55/404484855.db2.gz DFNRXBFXIOPFSI-HHXXYDBFSA-N 1 0 316.445 2.176 10 0 DEAERO CCOC(=O)CCCC[NH+]1CCC(Cc2nccn2C)CC1 ZINC000132973755 144770526 /nfs/dbraw/zinc/77/05/26/144770526.db2.gz ORDWGTJPULPWAS-UHFFFAOYSA-N 1 0 307.438 2.408 10 0 DEAERO C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000178690008 144862669 /nfs/dbraw/zinc/86/26/69/144862669.db2.gz KUPUVDPCOIRQAB-ZWKOPEQDSA-N 1 0 311.223 2.406 10 0 DEAERO [NH3+]Cc1ccc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000186490066 144983209 /nfs/dbraw/zinc/98/32/09/144983209.db2.gz JOEXQGLTCZZLKR-GOSISDBHSA-N 1 0 310.397 2.229 10 0 DEAERO O=C(c1cccc(-n2cccn2)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186534818 144984517 /nfs/dbraw/zinc/98/45/17/144984517.db2.gz RTUWEIIROHESLU-OAHLLOKOSA-N 1 0 310.401 2.229 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186552689 144984819 /nfs/dbraw/zinc/98/48/19/144984819.db2.gz INQKJWPJBSWRJG-HNNXBMFYSA-N 1 0 316.401 2.011 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCC(F)(F)C(F)(F)F ZINC000189311300 145024974 /nfs/dbraw/zinc/02/49/74/145024974.db2.gz OVNMLWKLCRXASQ-WDEREUQCSA-N 1 0 316.314 2.369 10 0 DEAERO Cn1nccc1CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000188393959 145010973 /nfs/dbraw/zinc/01/09/73/145010973.db2.gz PJYDBGKTOKJHGT-UHFFFAOYSA-N 1 0 321.469 2.264 10 0 DEAERO O=C(c1cn2ccnc2s1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000188534397 145013271 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c1ccc(CCN2CC[C@H]([NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)C2)cc1 ZINC000249892192 145190729 /nfs/dbraw/zinc/19/07/29/145190729.db2.gz QVEWSYOUMFHEBI-OKYOBFRVSA-N 1 0 300.446 2.461 10 0 DEAERO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)cc1 ZINC000251525236 145195039 /nfs/dbraw/zinc/19/50/39/145195039.db2.gz CXJNBHQYNJDMIG-RHSMWYFYSA-N 1 0 320.433 2.010 10 0 DEAERO C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000252223269 145198764 /nfs/dbraw/zinc/19/87/64/145198764.db2.gz ZPDXGXHWKHJBCC-BZUAXINKSA-N 1 0 311.470 2.365 10 0 DEAERO CCCN(CC(=O)N(CC)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000261549653 145207339 /nfs/dbraw/zinc/20/73/39/145207339.db2.gz OXBSEVUNSQKLMB-KRWDZBQOSA-N 1 0 303.450 2.109 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000261643667 145212778 /nfs/dbraw/zinc/21/27/78/145212778.db2.gz CWVXVRFWHGKIPF-XJKSGUPXSA-N 1 0 315.417 2.379 10 0 DEAERO Cc1noc2ncc(C(=O)N(CC[NH3+])CCc3ccccc3)cc12 ZINC000261647446 145212793 /nfs/dbraw/zinc/21/27/93/145212793.db2.gz CWLNINXHCQTYIK-UHFFFAOYSA-N 1 0 324.384 2.175 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)COc1ccc(F)cc1 ZINC000261689302 145216753 /nfs/dbraw/zinc/21/67/53/145216753.db2.gz IDFPKFAIAGYKRF-UHFFFAOYSA-N 1 0 316.376 2.235 10 0 DEAERO CC1(C)CN(C(=O)CCc2nc3ccccc3[nH]2)CC[C@H]1[NH3+] ZINC000261695859 145217984 /nfs/dbraw/zinc/21/79/84/145217984.db2.gz BDXHZDCELUBVDK-CQSZACIVSA-N 1 0 300.406 2.081 10 0 DEAERO CCOc1c(F)cccc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261704089 145218073 /nfs/dbraw/zinc/21/80/73/145218073.db2.gz FTBGQAGEJGXBMQ-BETUJISGSA-N 1 0 306.381 2.296 10 0 DEAERO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261715610 145220319 /nfs/dbraw/zinc/22/03/19/145220319.db2.gz MWCLLKUPUMEGMG-CZUORRHYSA-N 1 0 321.440 2.232 10 0 DEAERO CCN(CC)[C@H](CNC1=[NH+]CCCN1)c1cccc(OC)c1 ZINC000261723648 145220804 /nfs/dbraw/zinc/22/08/04/145220804.db2.gz GDIQQCOFKFPRQJ-MRXNPFEDSA-N 1 0 304.438 2.017 10 0 DEAERO Cn1cnc2cc(CN3CC[NH2+]C[C@H]3c3cccnc3)ccc21 ZINC000261841505 145232527 /nfs/dbraw/zinc/23/25/27/145232527.db2.gz ZTQIMFHJUXZNSB-SFHVURJKSA-N 1 0 307.401 2.115 10 0 DEAERO CCNC(=O)c1ccc(C)c(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000261856173 145233975 /nfs/dbraw/zinc/23/39/75/145233975.db2.gz JXNFPJPOOYJMNJ-HNNXBMFYSA-N 1 0 317.433 2.461 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccccc1OC[C@@H]1CCCO1 ZINC000261869610 145235950 /nfs/dbraw/zinc/23/59/50/145235950.db2.gz SDZFMMNRKXJNQR-ILXRZTDVSA-N 1 0 318.417 2.054 10 0 DEAERO Cc1ccc(CN(C)C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000261885624 145237554 /nfs/dbraw/zinc/23/75/54/145237554.db2.gz NCMAADOLZHEIQV-FRQCXROJSA-N 1 0 316.445 2.486 10 0 DEAERO [NH3+][C@@H](C(=O)NCC12CC3CC(CC(C3)C1)C2)C1CCOCC1 ZINC000261887425 145238149 /nfs/dbraw/zinc/23/81/49/145238149.db2.gz VDXOSBHOMLYCPO-JKJYUFNASA-N 1 0 306.450 2.073 10 0 DEAERO O=C([C@@H]1Cc2ccccc2S1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261895066 145238423 /nfs/dbraw/zinc/23/84/23/145238423.db2.gz VPRABCKDVAYUFB-LZWOXQAQSA-N 1 0 302.443 2.161 10 0 DEAERO Cc1cccc(C)c1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261903391 145239361 /nfs/dbraw/zinc/23/93/61/145239361.db2.gz HZMFXBHZRSHPOD-KSZLIROESA-N 1 0 318.461 2.429 10 0 DEAERO Cc1cccc(CN(C)C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261908720 145240526 /nfs/dbraw/zinc/24/05/26/145240526.db2.gz PWJBEEYRGWKSOU-GPMSIDNRSA-N 1 0 316.445 2.486 10 0 DEAERO CC(C)(C)C(=O)c1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261925674 145242474 /nfs/dbraw/zinc/24/24/74/145242474.db2.gz VRQPFSUGJMDKIR-UHFFFAOYSA-N 1 0 304.390 2.362 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261923756 145242495 /nfs/dbraw/zinc/24/24/95/145242495.db2.gz YYKBWFZIVGEPHB-IINYFYTJSA-N 1 0 311.376 2.351 10 0 DEAERO Cc1ccccc1CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261923194 145242819 /nfs/dbraw/zinc/24/28/19/145242819.db2.gz RXUMEMPZMYVMEZ-FRQCXROJSA-N 1 0 316.445 2.186 10 0 DEAERO [NH3+]C1(C(=O)Nc2cccc(Oc3ccccn3)c2)CCOCC1 ZINC000261931314 145243435 /nfs/dbraw/zinc/24/34/35/145243435.db2.gz WFXUGTXZRBTUSM-UHFFFAOYSA-N 1 0 313.357 2.320 10 0 DEAERO Nc1cccc(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000261937368 145244327 /nfs/dbraw/zinc/24/43/27/145244327.db2.gz KNMCMLIJJXSESJ-UHFFFAOYSA-N 1 0 301.434 2.146 10 0 DEAERO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261932911 145244387 /nfs/dbraw/zinc/24/43/87/145244387.db2.gz BUBDUKBGMRSRFR-OUCADQQQSA-N 1 0 306.406 2.256 10 0 DEAERO Cc1coc(-c2cccc(NC(=O)C3(C[NH3+])CCOCC3)c2)n1 ZINC000261966079 145248018 /nfs/dbraw/zinc/24/80/18/145248018.db2.gz QAWLBNSZVPIZKW-UHFFFAOYSA-N 1 0 315.373 2.344 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCc2ccc(F)cc21 ZINC000261964706 145248135 /nfs/dbraw/zinc/24/81/35/145248135.db2.gz YEVDXIJEDYLJIU-JOQOYGCGSA-N 1 0 318.392 2.247 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000261980669 145249510 /nfs/dbraw/zinc/24/95/10/145249510.db2.gz OUQUCTGTMXXLGU-IUODEOHRSA-N 1 0 301.390 2.127 10 0 DEAERO c1sc(CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)nc1C1CC1 ZINC000261995508 145251433 /nfs/dbraw/zinc/25/14/33/145251433.db2.gz TZCUMPKSJBHTDZ-MGPQQGTHSA-N 1 0 307.463 2.267 10 0 DEAERO c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000262035119 145255556 /nfs/dbraw/zinc/25/55/56/145255556.db2.gz XXSIYIDYQUMYEI-QQXKLLMISA-N 1 0 300.446 2.364 10 0 DEAERO c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000262043423 145256187 /nfs/dbraw/zinc/25/61/87/145256187.db2.gz YTQBGYDSKSHALC-NXWXRZEISA-N 1 0 300.446 2.463 10 0 DEAERO CC1(C)CN(C(=O)c2ccccc2Cn2cccn2)CC[C@H]1[NH3+] ZINC000262059748 145258114 /nfs/dbraw/zinc/25/81/14/145258114.db2.gz RPMDWRWWNUENCW-MRXNPFEDSA-N 1 0 312.417 2.131 10 0 DEAERO C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(C(F)(F)F)cc1 ZINC000262113591 145262881 /nfs/dbraw/zinc/26/28/81/145262881.db2.gz JYIAJEDUIIBZRY-ZWNOBZJWSA-N 1 0 316.323 2.261 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000262319732 145276242 /nfs/dbraw/zinc/27/62/42/145276242.db2.gz QVVMYEKKHLGSPL-RHSMWYFYSA-N 1 0 303.406 2.304 10 0 DEAERO CC(C)c1ccc([C@H](C)CC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262319052 145276318 /nfs/dbraw/zinc/27/63/18/145276318.db2.gz REGGDIBJFTVJLA-XOKHGSTOSA-N 1 0 304.434 2.000 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000262332990 145277048 /nfs/dbraw/zinc/27/70/48/145277048.db2.gz GZKPOWGMNHUSAD-MRXNPFEDSA-N 1 0 310.344 2.125 10 0 DEAERO Cc1cc(C)n(Cc2ccc(C(=O)NC(C)(C)C[NH3+])cc2)n1 ZINC000262507122 145289102 /nfs/dbraw/zinc/28/91/02/145289102.db2.gz KYPSSDWEWTWNKT-UHFFFAOYSA-N 1 0 300.406 2.015 10 0 DEAERO COc1cccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000262504447 145289137 /nfs/dbraw/zinc/28/91/37/145289137.db2.gz MIGXXBWNARESKH-CKEIUWERSA-N 1 0 304.390 2.166 10 0 DEAERO CC1(C)CN(Cc2nc(-c3ccc(F)cc3)no2)CC[C@@H]1[NH3+] ZINC000262550489 145292214 /nfs/dbraw/zinc/29/22/14/145292214.db2.gz SKAWXSUWVSXCCP-ZDUSSCGKSA-N 1 0 304.369 2.435 10 0 DEAERO COc1cc(OC)c(OC)cc1CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000262554926 145292946 /nfs/dbraw/zinc/29/29/46/145292946.db2.gz TZKZVDKTAQMNOQ-JSGCOSHPSA-N 1 0 308.422 2.272 10 0 DEAERO Cc1ccccc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262558324 145293112 /nfs/dbraw/zinc/29/31/12/145293112.db2.gz USJKAXYOUUZJNS-RLFYNMQTSA-N 1 0 302.418 2.144 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N(C)[C@H]2CC[NH2+]C2)cc1 ZINC000262575349 145294498 /nfs/dbraw/zinc/29/44/98/145294498.db2.gz ILIUPNMUGPXZCT-BBWFWOEESA-N 1 0 302.418 2.283 10 0 DEAERO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cnc(-c2ccncc2)s1 ZINC000262604378 145296412 /nfs/dbraw/zinc/29/64/12/145296412.db2.gz BKYDMCSTKVGHPF-LBPRGKRZSA-N 1 0 316.430 2.325 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000262745941 145303140 /nfs/dbraw/zinc/30/31/40/145303140.db2.gz DTXOVJOIKQDJPG-KWQFWETISA-N 1 0 323.245 2.270 10 0 DEAERO CSCc1ccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263119625 145327003 /nfs/dbraw/zinc/32/70/03/145327003.db2.gz AUAUYQHUXYYFQZ-CYBMUJFWSA-N 1 0 304.419 2.176 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(/C=C/c2cccc3cccnc23)n1 ZINC000263146625 145329530 /nfs/dbraw/zinc/32/95/30/145329530.db2.gz CTPIWNOSUZDODJ-KIUWMYQTSA-N 1 0 321.384 2.364 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(C[C@H]2CCCc3ccccc32)n1 ZINC000263153302 145330349 /nfs/dbraw/zinc/33/03/49/145330349.db2.gz DFBAEUBROJLRPL-ZBFHGGJFSA-N 1 0 312.417 2.308 10 0 DEAERO Cc1noc(C2CCC(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])CC2)n1 ZINC000263168131 145331525 /nfs/dbraw/zinc/33/15/25/145331525.db2.gz FJLUDIFEHBYTMD-YJJGSOMYSA-N 1 0 320.437 2.428 10 0 DEAERO CCCOc1cccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263206528 145335965 /nfs/dbraw/zinc/33/59/65/145335965.db2.gz JTTARTYPBBXIEZ-CQSZACIVSA-N 1 0 302.378 2.102 10 0 DEAERO Cc1ccc2nc(C)c(-c3nc([C@H]4C[NH2+]CCN4C)no3)cc2c1 ZINC000263221674 145337906 /nfs/dbraw/zinc/33/79/06/145337906.db2.gz LYWFMIRSYSSWSD-MRXNPFEDSA-N 1 0 323.400 2.478 10 0 DEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000263222622 145338026 /nfs/dbraw/zinc/33/80/26/145338026.db2.gz MEUUCZBUINVPLM-AEFFLSMTSA-N 1 0 312.417 2.396 10 0 DEAERO O=C(NC1CC1)[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccccc1 ZINC000332984176 145393178 /nfs/dbraw/zinc/39/31/78/145393178.db2.gz AITYDQLDJTZAAA-BBWFWOEESA-N 1 0 300.402 2.163 10 0 DEAERO c1nnn2c1CN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000565174393 292140963 /nfs/dbraw/zinc/14/09/63/292140963.db2.gz UTGINGHFRSLMSD-UHFFFAOYSA-N 1 0 311.433 2.280 10 0 DEAERO O[C@@H](CC[NH2+]Cc1cncc(Br)c1)C(F)(F)F ZINC000349333428 146369999 /nfs/dbraw/zinc/36/99/99/146369999.db2.gz QHMSUOXASLQAQL-VIFPVBQESA-N 1 0 313.117 2.247 10 0 DEAERO COC(=O)CCC(C)(C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000358276676 147104068 /nfs/dbraw/zinc/10/40/68/147104068.db2.gz JSEIXBMLVOQCQT-UHFFFAOYSA-N 1 0 302.378 2.089 10 0 DEAERO C[C@](O)(CNC(=O)NCCC[NH+]1CCCC1)C1CCCCC1 ZINC000358277102 147104306 /nfs/dbraw/zinc/10/43/06/147104306.db2.gz QSZCPUASSDNOCZ-KRWDZBQOSA-N 1 0 311.470 2.103 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000358425277 147130989 /nfs/dbraw/zinc/13/09/89/147130989.db2.gz QSDRYMXQARLAPH-ZDUSSCGKSA-N 1 0 317.437 2.483 10 0 DEAERO C[C@@H]1CN(C(=O)c2cn(C)c3ccc(F)cc23)C[C@H](C)[N@H+]1C ZINC000358722236 147190079 /nfs/dbraw/zinc/19/00/79/147190079.db2.gz YIWCMXGOMJMCMA-TXEJJXNPSA-N 1 0 303.381 2.482 10 0 DEAERO COCCn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1ccncc1 ZINC000358853975 147219567 /nfs/dbraw/zinc/21/95/67/147219567.db2.gz NNEWDGOSKPKMNR-GFCCVEGCSA-N 1 0 321.450 2.029 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000358864240 147221157 /nfs/dbraw/zinc/22/11/57/147221157.db2.gz VGVJZWAERMONDF-HNNXBMFYSA-N 1 0 312.360 2.334 10 0 DEAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360712966 147372638 /nfs/dbraw/zinc/37/26/38/147372638.db2.gz KUZYVWGBOARAIX-SWLSCSKDSA-N 1 0 315.421 2.045 10 0 DEAERO c1cc(-c2ccc(C[NH2+][C@@H]3CCN(c4ccccn4)C3)o2)n[nH]1 ZINC000370535839 148028621 /nfs/dbraw/zinc/02/86/21/148028621.db2.gz MPSGDGXEWFKOEF-CYBMUJFWSA-N 1 0 309.373 2.433 10 0 DEAERO Cc1ccnc(C2CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC2)n1 ZINC000371823299 148143664 /nfs/dbraw/zinc/14/36/64/148143664.db2.gz QJTBZKAKSRILMR-CQSZACIVSA-N 1 0 319.453 2.014 10 0 DEAERO Cc1csc([C@@H](C)NC(=O)N2CC[C@@H](c3nccn3C)C2)n1 ZINC000372301796 148192513 /nfs/dbraw/zinc/19/25/13/148192513.db2.gz LNFRMJLTOAGRSH-VXGBXAGGSA-N 1 0 319.434 2.445 10 0 DEAERO Cc1nccn1CCCCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000073722852 401720556 /nfs/dbraw/zinc/72/05/56/401720556.db2.gz MKBSTIUJUBZMKC-INIZCTEOSA-N 1 0 323.485 2.247 10 0 DEAERO CC(C)CC[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C(C)(C)C ZINC000127132459 401721759 /nfs/dbraw/zinc/72/17/59/401721759.db2.gz YZVYENJQUSOWRT-PBHICJAKSA-N 1 0 315.502 2.449 10 0 DEAERO CSc1ccsc1C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000127286981 401727465 /nfs/dbraw/zinc/72/74/65/401727465.db2.gz VAHFTQARUKSMFC-LLVKDONJSA-N 1 0 312.460 2.063 10 0 DEAERO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127365999 401731121 /nfs/dbraw/zinc/73/11/21/401731121.db2.gz ZASQICKGSUTNLG-MRVPVSSYSA-N 1 0 303.175 2.202 10 0 DEAERO CC[C@H]1CN(c2cnc3ccccc3n2)CC[N@@H+]1CCOC ZINC000112556242 401748899 /nfs/dbraw/zinc/74/88/99/401748899.db2.gz LWHSZJXMBBOVIC-AWEZNQCLSA-N 1 0 300.406 2.177 10 0 DEAERO CCS(=O)(=O)NCCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000127654041 401743838 /nfs/dbraw/zinc/74/38/38/401743838.db2.gz ZRFIHDKWXFKHSR-JTQLQIEISA-N 1 0 322.833 2.459 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NCCc1cscn1 ZINC000110806598 401694340 /nfs/dbraw/zinc/69/43/40/401694340.db2.gz LXPYXKTWNKLJAM-UHFFFAOYSA-N 1 0 319.430 2.056 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(N2CCCC2)nc1 ZINC000072089194 401702612 /nfs/dbraw/zinc/70/26/12/401702612.db2.gz GVMHVSMWCZWCJY-MRXNPFEDSA-N 1 0 318.465 2.388 10 0 DEAERO COC(=O)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000126743362 401706458 /nfs/dbraw/zinc/70/64/58/401706458.db2.gz XKYUOSILDXTZQY-OAHLLOKOSA-N 1 0 317.389 2.175 10 0 DEAERO COc1ccc(S(=O)(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000008031289 401747573 /nfs/dbraw/zinc/74/75/73/401747573.db2.gz POGCKSOLACIDOC-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CCn2c3ccccc3oc2=O)C[C@@H]1C ZINC000072293961 401707016 /nfs/dbraw/zinc/70/70/16/401707016.db2.gz RIHXBKJHUAAUOO-GJZGRUSLSA-N 1 0 317.433 2.399 10 0 DEAERO C[N@@H+]1CCCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000126761121 401707373 /nfs/dbraw/zinc/70/73/73/401707373.db2.gz AHZHRNCESYRPBB-DLBZAZTESA-N 1 0 302.418 2.318 10 0 DEAERO COc1cccc([C@H](C[NH3+])S(=O)(=O)c2ccc(F)cc2)c1 ZINC000008037251 401747673 /nfs/dbraw/zinc/74/76/73/401747673.db2.gz URBLBAWRNFMGSC-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO COc1ccc([C@H](C[NH3+])S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000008037584 401747971 /nfs/dbraw/zinc/74/79/71/401747971.db2.gz DPMCESZKDGJIQE-INIZCTEOSA-N 1 0 321.398 2.178 10 0 DEAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000076513253 401798031 /nfs/dbraw/zinc/79/80/31/401798031.db2.gz BWSKQPHRSSYMMD-BZSNNMDCSA-N 1 0 305.418 2.208 10 0 DEAERO CCC[C@@H](C)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114414630 401798493 /nfs/dbraw/zinc/79/84/93/401798493.db2.gz UFNVJLXLNZNBQP-OAHLLOKOSA-N 1 0 318.465 2.228 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)N1CC[C@H](C[NH+](C)C)C1 ZINC000114480437 401801804 /nfs/dbraw/zinc/80/18/04/401801804.db2.gz PJFGQDYQOBEGAN-DZGCQCFKSA-N 1 0 317.433 2.100 10 0 DEAERO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)NC1CCCCC1 ZINC000128167167 401765839 /nfs/dbraw/zinc/76/58/39/401765839.db2.gz LPYHHBZIZFBWFU-CVEARBPZSA-N 1 0 304.438 2.405 10 0 DEAERO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000075842864 401770433 /nfs/dbraw/zinc/77/04/33/401770433.db2.gz KMQWBQINGQRXLK-XYPHTWIQSA-N 1 0 320.408 2.192 10 0 DEAERO CC(=O)Nc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)ccc1F ZINC000113222351 401770834 /nfs/dbraw/zinc/77/08/34/401770834.db2.gz GUZUTMGWBAYIFB-SMDDNHRTSA-N 1 0 319.380 2.093 10 0 DEAERO COc1cccc(CCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113229159 401771225 /nfs/dbraw/zinc/77/12/25/401771225.db2.gz JFXJTMSRPWWMEH-GDBMZVCRSA-N 1 0 302.418 2.323 10 0 DEAERO Cc1noc(Cl)c1CCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113228343 401771944 /nfs/dbraw/zinc/77/19/44/401771944.db2.gz FWGVTNSQBMEZKI-JQWIXIFHSA-N 1 0 311.813 2.264 10 0 DEAERO CCc1cc(C)c(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000128332318 401772432 /nfs/dbraw/zinc/77/24/32/401772432.db2.gz SPOZRXSBRULZJS-INIZCTEOSA-N 1 0 321.465 2.152 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1cccc(Cl)c1 ZINC000113268332 401773647 /nfs/dbraw/zinc/77/36/47/401773647.db2.gz JEKCWZSWQFOVBS-CZUORRHYSA-N 1 0 321.852 2.125 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCOc1ccc2c(c1)OCO2 ZINC000113268552 401773926 /nfs/dbraw/zinc/77/39/26/401773926.db2.gz NUOVKXRKIDVQOK-HUUCEWRRSA-N 1 0 318.417 2.353 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(CCCOCCc2ccccc2)CC1 ZINC000075963345 401775143 /nfs/dbraw/zinc/77/51/43/401775143.db2.gz PYSADASKMPXJND-IBGZPJMESA-N 1 0 320.477 2.024 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(CCCOc2cc(C)cc(C)c2)CC1 ZINC000075961994 401775232 /nfs/dbraw/zinc/77/52/32/401775232.db2.gz CPRKTNUKEMKYKP-GOSISDBHSA-N 1 0 320.477 2.461 10 0 DEAERO CC[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000128438496 401777490 /nfs/dbraw/zinc/77/74/90/401777490.db2.gz ICDVXGMZUHJYEC-FJBKBRRZSA-N 1 0 311.470 2.364 10 0 DEAERO Cc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128488760 401779083 /nfs/dbraw/zinc/77/90/83/401779083.db2.gz VBQLCUOEDNJNII-IEBWSBKVSA-N 1 0 316.445 2.238 10 0 DEAERO COc1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1OC ZINC000128489015 401779511 /nfs/dbraw/zinc/77/95/11/401779511.db2.gz HPIHGIZOJUCAKG-AWEZNQCLSA-N 1 0 301.390 2.427 10 0 DEAERO COc1ccc(CNC(=O)C[N@H+](C(C)C)C2CCOCC2)cc1 ZINC000077323641 401810526 /nfs/dbraw/zinc/81/05/26/401810526.db2.gz PDBGRJOYIBTOKM-UHFFFAOYSA-N 1 0 320.433 2.201 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128581358 401783592 /nfs/dbraw/zinc/78/35/92/401783592.db2.gz OZPBWIQZWCSQJN-HZPDHXFCSA-N 1 0 306.454 2.085 10 0 DEAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)NCC3CC3)C2)cc1 ZINC000076394029 401793946 /nfs/dbraw/zinc/79/39/46/401793946.db2.gz UOSNLWZQANEADP-XJKSGUPXSA-N 1 0 302.418 2.399 10 0 DEAERO COc1ccc([C@H]2C[C@H](C)[N@H+](CC(=O)NCC3CC3)C2)cc1 ZINC000076394023 401794121 /nfs/dbraw/zinc/79/41/21/401794121.db2.gz UOSNLWZQANEADP-BBRMVZONSA-N 1 0 302.418 2.399 10 0 DEAERO C[C@@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)[NH+]1CCCCCC1 ZINC000114243931 401794980 /nfs/dbraw/zinc/79/49/80/401794980.db2.gz IGQXBTQDTSRUMF-LBPRGKRZSA-N 1 0 317.389 2.221 10 0 DEAERO CCOCCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000132618755 401870609 /nfs/dbraw/zinc/87/06/09/401870609.db2.gz GDOZBXDKMZDREL-HUUCEWRRSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H]1COC[C@H](C)[NH+]1CCC(=O)NCc1ccccc1Cl ZINC000077657435 401823921 /nfs/dbraw/zinc/82/39/21/401823921.db2.gz YLKLGYRNXMENBM-STQMWFEESA-N 1 0 310.825 2.456 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)CCC1=O ZINC000077899912 401835860 /nfs/dbraw/zinc/83/58/60/401835860.db2.gz JVINKHKEXWKWHL-JTQLQIEISA-N 1 0 315.186 2.299 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCc1cscn1 ZINC000131110560 401843758 /nfs/dbraw/zinc/84/37/58/401843758.db2.gz QARKUCMVERVMKB-DGCLKSJQSA-N 1 0 311.476 2.071 10 0 DEAERO CS[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116244699 401846732 /nfs/dbraw/zinc/84/67/32/401846732.db2.gz QJUBGKKNXGXTJY-GUTXKFCHSA-N 1 0 307.463 2.160 10 0 DEAERO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000131306558 401847632 /nfs/dbraw/zinc/84/76/32/401847632.db2.gz VDJAXONUAXERMH-CYBMUJFWSA-N 1 0 318.465 2.464 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](C[C@H](O)c3cc(F)ccc3F)C2)cn1 ZINC000116317463 401849636 /nfs/dbraw/zinc/84/96/36/401849636.db2.gz RASKKUACOVCVOM-ZBEGNZNMSA-N 1 0 307.344 2.221 10 0 DEAERO CC[N@H+](CCNS(=O)(=O)c1c(F)cccc1Cl)C1CC1 ZINC000131495796 401851855 /nfs/dbraw/zinc/85/18/55/401851855.db2.gz FRDXBURJZHEERB-UHFFFAOYSA-N 1 0 320.817 2.242 10 0 DEAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)NC(N)=O ZINC000028878392 401853386 /nfs/dbraw/zinc/85/33/86/401853386.db2.gz JNDMSXHQRQBEOU-RNFRBKRXSA-N 1 0 304.177 2.227 10 0 DEAERO O=C(NCC[NH+]1CCCCC1)N[C@H]1CCN(c2ccccc2)C1 ZINC000078544849 401855082 /nfs/dbraw/zinc/85/50/82/401855082.db2.gz HRKIOJNECHUFMZ-INIZCTEOSA-N 1 0 316.449 2.050 10 0 DEAERO Cc1cc2[nH]c(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc2c(C)c1 ZINC000116784068 401858468 /nfs/dbraw/zinc/85/84/68/401858468.db2.gz GQNABUQYKMVJCV-CQSZACIVSA-N 1 0 315.417 2.187 10 0 DEAERO Cc1ccc(CCCC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116793232 401859050 /nfs/dbraw/zinc/85/90/50/401859050.db2.gz KBZSRBPACUSZSV-QGZVFWFLSA-N 1 0 304.434 2.107 10 0 DEAERO COCCOc1cccc(CNC(=O)C[N@@H+]2CCCC2(C)C)c1 ZINC000077382964 401813474 /nfs/dbraw/zinc/81/34/74/401813474.db2.gz SGCSSUIBZNIVJZ-UHFFFAOYSA-N 1 0 320.433 2.202 10 0 DEAERO COC(=O)c1ccccc1N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC000039952504 401924568 /nfs/dbraw/zinc/92/45/68/401924568.db2.gz XUNNCBOLCYRKRN-MRXNPFEDSA-N 1 0 310.397 2.494 10 0 DEAERO C[N@@H+]1CCC[C@H](NC(=O)c2csc(Br)c2)C1 ZINC000040452328 401925052 /nfs/dbraw/zinc/92/50/52/401925052.db2.gz FNDNPVDVIUQDCG-VIFPVBQESA-N 1 0 303.225 2.335 10 0 DEAERO COCCN1CC[N@H+](CCCc2cccc(OC)c2)C[C@H]1C ZINC000119157823 401929943 /nfs/dbraw/zinc/92/99/43/401929943.db2.gz PVSKEAJLAYWHOM-MRXNPFEDSA-N 1 0 306.450 2.280 10 0 DEAERO CCc1ncc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000119168691 401930555 /nfs/dbraw/zinc/93/05/55/401930555.db2.gz QFDWUVMBNIUKTG-HNNXBMFYSA-N 1 0 313.405 2.463 10 0 DEAERO NC(=O)[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1 ZINC000133372709 401883539 /nfs/dbraw/zinc/88/35/39/401883539.db2.gz OKFYZKUBALYLIA-GJZGRUSLSA-N 1 0 306.381 2.434 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(C)cc3)C2=O)n(C)n1 ZINC000080526306 401890139 /nfs/dbraw/zinc/89/01/39/401890139.db2.gz RNTUXNVNZKQUKN-INIZCTEOSA-N 1 0 312.417 2.322 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(CC(C)C)C2CC2)[C@H](C)C1 ZINC000081095243 401893628 /nfs/dbraw/zinc/89/36/28/401893628.db2.gz UVWQXNWOWKRIPP-NVXWUHKLSA-N 1 0 309.498 2.296 10 0 DEAERO CN1C[C@H]([NH2+]Cc2ccc(F)cc2Br)CCC1=O ZINC000084088679 401901751 /nfs/dbraw/zinc/90/17/51/401901751.db2.gz KNZIQNHBOQTYON-LLVKDONJSA-N 1 0 315.186 2.299 10 0 DEAERO [NH3+]C1(CNS(=O)(=O)c2cc(F)ccc2F)CCCCCC1 ZINC000036266824 401903990 /nfs/dbraw/zinc/90/39/90/401903990.db2.gz LVTFSKYSTGTLSX-UHFFFAOYSA-N 1 0 318.389 2.295 10 0 DEAERO CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000134508688 401904941 /nfs/dbraw/zinc/90/49/41/401904941.db2.gz HBOUQSJBGGFZSY-IRXDYDNUSA-N 1 0 309.450 2.436 10 0 DEAERO Cc1c([C@@H](C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cnn1C ZINC000042908876 401936169 /nfs/dbraw/zinc/93/61/69/401936169.db2.gz MKMITDNTJDBTCU-LLVKDONJSA-N 1 0 321.469 2.398 10 0 DEAERO Cc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(Cl)c1 ZINC000118789090 401908150 /nfs/dbraw/zinc/90/81/50/401908150.db2.gz LJUCUTIMQIINAM-LBPRGKRZSA-N 1 0 311.813 2.443 10 0 DEAERO CCOC(=O)C[C@H]([NH3+])c1cc(Br)ccc1OC ZINC000036894210 401908776 /nfs/dbraw/zinc/90/87/76/401908776.db2.gz INRFAXICCYJMTN-JTQLQIEISA-N 1 0 302.168 2.411 10 0 DEAERO COC(=O)c1ccc(CN2CCC[N@@H+](C3CC3)CC2)cc1F ZINC000089127814 401936418 /nfs/dbraw/zinc/93/64/18/401936418.db2.gz LCRBOEBZNVKTAX-UHFFFAOYSA-N 1 0 306.381 2.282 10 0 DEAERO CC[NH+](CC)CC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000134777975 401913688 /nfs/dbraw/zinc/91/36/88/401913688.db2.gz FFWKSZQOMWHAFX-INIZCTEOSA-N 1 0 308.397 2.376 10 0 DEAERO C[NH2+][C@H]1CCN(c2ccccc2I)C1 ZINC000037483587 401914046 /nfs/dbraw/zinc/91/40/46/401914046.db2.gz YXLTZDMTQMCZHL-VIFPVBQESA-N 1 0 302.159 2.089 10 0 DEAERO CCc1ccc(CC(=O)NC[C@H]2CCC[N@@H+]2CCOC)cc1 ZINC000118970390 401915966 /nfs/dbraw/zinc/91/59/66/401915966.db2.gz JJMBUZFJHSAOHX-QGZVFWFLSA-N 1 0 304.434 2.019 10 0 DEAERO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCCC1=O ZINC000134850687 401917005 /nfs/dbraw/zinc/91/70/05/401917005.db2.gz GERNOQNRCHZUOB-INIZCTEOSA-N 1 0 304.434 2.270 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917531 401918386 /nfs/dbraw/zinc/91/83/86/401918386.db2.gz FVDCYGFUAKRMQT-HOCLYGCPSA-N 1 0 308.447 2.148 10 0 DEAERO C[C@@](CO)([NH2+]C[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000038114611 401922886 /nfs/dbraw/zinc/92/28/86/401922886.db2.gz ORHDUHOOOVTKFM-KGLIPLIRSA-N 1 0 314.223 2.425 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(OC)c(OCCOC)c1)[NH+](C)C ZINC000135717907 401951006 /nfs/dbraw/zinc/95/10/06/401951006.db2.gz XCNWDQAKZRBDEL-CQSZACIVSA-N 1 0 324.421 2.389 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(OC2CCC2)c1 ZINC000089571947 401952179 /nfs/dbraw/zinc/95/21/79/401952179.db2.gz RXIIDKWWGSBZOB-UKRRQHHQSA-N 1 0 315.417 2.322 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC=O)cc1 ZINC000119480601 401952956 /nfs/dbraw/zinc/95/29/56/401952956.db2.gz XULCBQFCRFDDDW-MRXNPFEDSA-N 1 0 303.406 2.105 10 0 DEAERO COc1ccccc1NC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150843648 401999536 /nfs/dbraw/zinc/99/95/36/401999536.db2.gz GCBPJBSBLBTDOR-HNNXBMFYSA-N 1 0 317.433 2.051 10 0 DEAERO C[C@@H]1CN(C(=O)c2cccc(Br)c2)C[C@@H]1[NH+](C)C ZINC000089710234 401958691 /nfs/dbraw/zinc/95/86/91/401958691.db2.gz NLRMQUCOWWOYDK-MFKMUULPSA-N 1 0 311.223 2.471 10 0 DEAERO CCc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)oc1CC ZINC000136307340 401965296 /nfs/dbraw/zinc/96/52/96/401965296.db2.gz XAHLJIVOVPJUAB-UHFFFAOYSA-N 1 0 304.394 2.415 10 0 DEAERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)[NH+](C)C ZINC000119810827 401967401 /nfs/dbraw/zinc/96/74/01/401967401.db2.gz NSCJWOXPAURUMH-NHYWBVRUSA-N 1 0 303.406 2.089 10 0 DEAERO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C1CCC(CO)CC1 ZINC000089924453 401973815 /nfs/dbraw/zinc/97/38/15/401973815.db2.gz DSTZBKBTLWLVJV-UHFFFAOYSA-N 1 0 312.360 2.386 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccnc1N1CCCC1 ZINC000046859833 401974106 /nfs/dbraw/zinc/97/41/06/401974106.db2.gz NYFAOBZSECKMBF-HNNXBMFYSA-N 1 0 316.449 2.286 10 0 DEAERO COc1cccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1F ZINC000090552980 401984718 /nfs/dbraw/zinc/98/47/18/401984718.db2.gz XQQYAOZBRSWNIR-CYBMUJFWSA-N 1 0 324.396 2.017 10 0 DEAERO CC1CCC(NC(=O)CN2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000047971192 401991510 /nfs/dbraw/zinc/99/15/10/401991510.db2.gz SYXQFVQRIMYHNF-UHFFFAOYSA-N 1 0 321.509 2.489 10 0 DEAERO C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1ccccc1Br ZINC000150721722 401993860 /nfs/dbraw/zinc/99/38/60/401993860.db2.gz AHLLNNYFQWRKOW-TVQRCGJNSA-N 1 0 315.186 2.328 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@H](c2nccc3[nH]ccc32)C1 ZINC000089220763 401938895 /nfs/dbraw/zinc/93/88/95/401938895.db2.gz VCNPCIVVKYWICT-NWDGAFQWSA-N 1 0 302.378 2.225 10 0 DEAERO C[C@@H](C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1)CS(C)(=O)=O ZINC000119292860 401938971 /nfs/dbraw/zinc/93/89/71/401938971.db2.gz OJDQNQVCWYIOIO-DZGCQCFKSA-N 1 0 313.438 2.371 10 0 DEAERO COc1ccc(CCNC(=O)N(C)CC[NH+](C)C)c(Cl)c1 ZINC000119365188 401944583 /nfs/dbraw/zinc/94/45/83/401944583.db2.gz NJPXNKIYNFWCNW-UHFFFAOYSA-N 1 0 313.829 2.094 10 0 DEAERO Cc1nc2ccccc2n1CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000044532992 401944825 /nfs/dbraw/zinc/94/48/25/401944825.db2.gz HXHORVUIDNWTKT-CQSZACIVSA-N 1 0 314.433 2.335 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)nc1 ZINC000093097523 402011748 /nfs/dbraw/zinc/01/17/48/402011748.db2.gz CELSSEOHXBFGIR-CMPLNLGQSA-N 1 0 324.222 2.153 10 0 DEAERO CS(=O)(=O)NCCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000049067224 402011842 /nfs/dbraw/zinc/01/18/42/402011842.db2.gz YTYKUKIAOFBOGX-CQSZACIVSA-N 1 0 316.854 2.320 10 0 DEAERO COCCCNC(=O)C[N@@H+]1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000151046721 402012639 /nfs/dbraw/zinc/01/26/39/402012639.db2.gz VFHAGDNUCTUJFZ-HOCLYGCPSA-N 1 0 320.433 2.026 10 0 DEAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000121103565 402015085 /nfs/dbraw/zinc/01/50/85/402015085.db2.gz XJGWTROBYBEBBG-KBPBESRZSA-N 1 0 315.421 2.079 10 0 DEAERO CCCOc1cccc(CN2CC[NH+]([C@H](CC)CO)CC2)c1 ZINC000093740214 402019074 /nfs/dbraw/zinc/01/90/74/402019074.db2.gz QOOVUUCDDDFHED-QGZVFWFLSA-N 1 0 306.450 2.364 10 0 DEAERO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)NC(=O)NC1CC1 ZINC000050273798 402026355 /nfs/dbraw/zinc/02/63/55/402026355.db2.gz MMWXONRTHWRTHR-OAHLLOKOSA-N 1 0 321.808 2.369 10 0 DEAERO Cc1ccc([C@H]2CN(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CCO2)o1 ZINC000121313407 402027601 /nfs/dbraw/zinc/02/76/01/402027601.db2.gz ZTXNNRIVCYWSRI-MLGOLLRUSA-N 1 0 321.421 2.154 10 0 DEAERO Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121328714 402028930 /nfs/dbraw/zinc/02/89/30/402028930.db2.gz IVAIBVCBAGKCRN-QGZVFWFLSA-N 1 0 320.408 2.112 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000121362774 402030755 /nfs/dbraw/zinc/03/07/55/402030755.db2.gz QOSLFYWLTGEKOE-MQIPJXDCSA-N 1 0 322.453 2.250 10 0 DEAERO Cc1cc([C@@H](C)NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c(C)o1 ZINC000151516868 402040840 /nfs/dbraw/zinc/04/08/40/402040840.db2.gz SSQIHRPSDYZYBW-CYBMUJFWSA-N 1 0 323.437 2.056 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000052521720 402043899 /nfs/dbraw/zinc/04/38/99/402043899.db2.gz WHOVFRXSXIZRSD-JSGCOSHPSA-N 1 0 319.405 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCOc2cccc(C)c2)C1 ZINC000052593452 402044377 /nfs/dbraw/zinc/04/43/77/402044377.db2.gz NEPNOTFKNHMFCG-INIZCTEOSA-N 1 0 319.449 2.500 10 0 DEAERO CCc1nnc(CN2CCC[C@H]2C[C@H](O)c2ccco2)n1C ZINC000151691968 402050983 /nfs/dbraw/zinc/05/09/83/402050983.db2.gz LATUWYDSAFTJNE-STQMWFEESA-N 1 0 304.394 2.059 10 0 DEAERO CCc1nccn1[C@@H]1CCCN(C(=O)NC2CCC(O)CC2)C1 ZINC000151808567 402057963 /nfs/dbraw/zinc/05/79/63/402057963.db2.gz WVTSGRNKNNCPSD-SHARSMKWSA-N 1 0 320.437 2.096 10 0 DEAERO Cc1cccc(OCCNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000150853751 402001043 /nfs/dbraw/zinc/00/10/43/402001043.db2.gz DGNNFTFTDKSQFY-DOTOQJQBSA-N 1 0 319.449 2.402 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cccc(NC(C)=O)c1 ZINC000048567238 402001974 /nfs/dbraw/zinc/00/19/74/402001974.db2.gz ZVWWPSMAIXWWIU-ZDUSSCGKSA-N 1 0 320.437 2.175 10 0 DEAERO CCCN(CC(=O)NC)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000120786326 402002143 /nfs/dbraw/zinc/00/21/43/402002143.db2.gz LAPMTHIXCNVJRQ-AWEZNQCLSA-N 1 0 323.824 2.291 10 0 DEAERO COCC[N@@H+]1CCN(Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]1C ZINC000120859959 402004666 /nfs/dbraw/zinc/00/46/66/402004666.db2.gz YAOTWYZCOMSGNA-HNNXBMFYSA-N 1 0 314.433 2.229 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cnn(-c3ccccc3F)c2)C1 ZINC000152128905 402077220 /nfs/dbraw/zinc/07/72/20/402077220.db2.gz YCCBSXILVQMBRT-CYBMUJFWSA-N 1 0 317.368 2.179 10 0 DEAERO CCc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)s1 ZINC000055219400 402077940 /nfs/dbraw/zinc/07/79/40/402077940.db2.gz YVILMLAVEXNFCK-UHFFFAOYSA-N 1 0 314.476 2.216 10 0 DEAERO COc1ccc(O[C@@H](C)C(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000152167067 402079591 /nfs/dbraw/zinc/07/95/91/402079591.db2.gz IFHXQBCHQPTNAB-GUYCJALGSA-N 1 0 314.385 2.279 10 0 DEAERO COc1cccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)n1 ZINC000122753227 402093136 /nfs/dbraw/zinc/09/31/36/402093136.db2.gz LMPDOWJGQDUFMV-UHFFFAOYSA-N 1 0 320.437 2.106 10 0 DEAERO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152534019 402099753 /nfs/dbraw/zinc/09/97/53/402099753.db2.gz JKEJUAHFDKIVJM-RDJZCZTQSA-N 1 0 317.433 2.182 10 0 DEAERO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000096993192 402099992 /nfs/dbraw/zinc/09/99/92/402099992.db2.gz UCLNSQYNYMQNLE-HNNXBMFYSA-N 1 0 317.433 2.204 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000122910001 402101032 /nfs/dbraw/zinc/10/10/32/402101032.db2.gz FUDDSQOVNKRYTP-CQSZACIVSA-N 1 0 317.437 2.333 10 0 DEAERO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000123321390 402121709 /nfs/dbraw/zinc/12/17/09/402121709.db2.gz PAVPYNGEIOJNPP-ZBFHGGJFSA-N 1 0 319.449 2.438 10 0 DEAERO COc1cccc(CO[C@H](C)C(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000152710988 402104934 /nfs/dbraw/zinc/10/49/34/402104934.db2.gz KXYOOBGPUURNMY-CABCVRRESA-N 1 0 320.433 2.106 10 0 DEAERO Cc1cc(C[C@@H](C)NC(=O)NC2CCC(C[NH+](C)C)CC2)[nH]n1 ZINC000123123637 402112167 /nfs/dbraw/zinc/11/21/67/402112167.db2.gz UFNOLKGQNVUPIU-LRVUVFPRSA-N 1 0 321.469 2.069 10 0 DEAERO CN1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000152880735 402114415 /nfs/dbraw/zinc/11/44/15/402114415.db2.gz UJYKLKAIIYCEDK-UHFFFAOYSA-N 1 0 322.206 2.318 10 0 DEAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000123241580 402117335 /nfs/dbraw/zinc/11/73/35/402117335.db2.gz BGBSYQYMZVYBKP-DTWKUNHWSA-N 1 0 316.195 2.284 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(N(C)C)n2)CC[N@@H+]1C ZINC000152961476 402119312 /nfs/dbraw/zinc/11/93/12/402119312.db2.gz WXEWYOMYPVDOFZ-STQMWFEESA-N 1 0 305.426 2.094 10 0 DEAERO CCOC(=O)c1cnc2ccc(Cl)cc2c1N1CC[NH2+]CC1 ZINC000053994911 402061267 /nfs/dbraw/zinc/06/12/67/402061267.db2.gz CMUXPPNKRJFBIG-UHFFFAOYSA-N 1 0 319.792 2.475 10 0 DEAERO CCc1cnc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)s1 ZINC000122138046 402062827 /nfs/dbraw/zinc/06/28/27/402062827.db2.gz QVLREPUDKGNSAZ-WCQYABFASA-N 1 0 310.467 2.233 10 0 DEAERO COc1cccc(Cl)c1CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000152970673 402119779 /nfs/dbraw/zinc/11/97/79/402119779.db2.gz DEILFMSGNLFTQA-UHFFFAOYSA-N 1 0 310.825 2.444 10 0 DEAERO COc1cc(C[NH2+]C[C@H](C)CCO)cc(Br)c1O ZINC000097440095 402125008 /nfs/dbraw/zinc/12/50/08/402125008.db2.gz AEDGETXPCUTTGR-SECBINFHSA-N 1 0 318.211 2.271 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cn(C)nc1-c1cccnc1 ZINC000123393054 402125327 /nfs/dbraw/zinc/12/53/27/402125327.db2.gz YPMLDYMLROPSGV-KRWDZBQOSA-N 1 0 313.449 2.398 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CSCCc2ccccc21)N1CCOCC1 ZINC000123480305 402129641 /nfs/dbraw/zinc/12/96/41/402129641.db2.gz JIRBEFPEXFECHS-RHSMWYFYSA-N 1 0 306.475 2.327 10 0 DEAERO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)cs3)C[C@@H]21 ZINC000153165379 402130263 /nfs/dbraw/zinc/13/02/63/402130263.db2.gz DGUJWICNQPQFEO-GJZGRUSLSA-N 1 0 301.415 2.329 10 0 DEAERO CC[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000123594460 402137003 /nfs/dbraw/zinc/13/70/03/402137003.db2.gz LHVRFEALVYHFOY-HZPDHXFCSA-N 1 0 308.397 2.108 10 0 DEAERO C[C@H](C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1)N1CCOCC1 ZINC000123360168 402123804 /nfs/dbraw/zinc/12/38/04/402123804.db2.gz IAKAHRJMYDSNNC-GHMZBOCLSA-N 1 0 302.340 2.475 10 0 DEAERO CC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc2c(c1)CCO2 ZINC000123360396 402124070 /nfs/dbraw/zinc/12/40/70/402124070.db2.gz YXOTVLCYTBPUMN-PBHICJAKSA-N 1 0 304.434 2.383 10 0 DEAERO COCCOc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123776762 402145791 /nfs/dbraw/zinc/14/57/91/402145791.db2.gz DMLKIAKZCFRMKA-HOCLYGCPSA-N 1 0 320.433 2.267 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCC(F)(F)F ZINC000153470852 402147753 /nfs/dbraw/zinc/14/77/53/402147753.db2.gz XHLXYIOBSJRJQP-GHMZBOCLSA-N 1 0 310.385 2.367 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000123873874 402151712 /nfs/dbraw/zinc/15/17/12/402151712.db2.gz NIPNJXMRJYDYFC-BETUJISGSA-N 1 0 319.449 2.170 10 0 DEAERO COc1ccc(OC)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000124481103 402181888 /nfs/dbraw/zinc/18/18/88/402181888.db2.gz CICBPWHQAIYXHA-QWHCGFSZSA-N 1 0 306.406 2.259 10 0 DEAERO COc1cccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)n1 ZINC000104346598 402203434 /nfs/dbraw/zinc/20/34/34/402203434.db2.gz QXFFYLYLNTWHRS-MRXNPFEDSA-N 1 0 305.422 2.217 10 0 DEAERO COC[C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000103388470 402186325 /nfs/dbraw/zinc/18/63/25/402186325.db2.gz MGEXUCOHGRRUEH-CQSZACIVSA-N 1 0 322.474 2.499 10 0 DEAERO CC(C)CO[C@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000124648166 402189745 /nfs/dbraw/zinc/18/97/45/402189745.db2.gz JKJVYNMXOVNTHL-MSOLQXFVSA-N 1 0 307.434 2.311 10 0 DEAERO COc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1OC ZINC000124819225 402198668 /nfs/dbraw/zinc/19/86/68/402198668.db2.gz ACKVZFUPFCFRQV-QWHCGFSZSA-N 1 0 306.406 2.259 10 0 DEAERO O=C(Nc1ccsc1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000124885766 402202380 /nfs/dbraw/zinc/20/23/80/402202380.db2.gz LBZRKIHVBQTDMK-UHFFFAOYSA-N 1 0 321.446 2.021 10 0 DEAERO CC[C@H]1CN(CC(=O)N2CCCC[C@@H]2C)CCN1CC(F)F ZINC000153720392 402164992 /nfs/dbraw/zinc/16/49/92/402164992.db2.gz BOJBSFDTUJAEDW-KBPBESRZSA-N 1 0 317.424 2.049 10 0 DEAERO CC(=O)N[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000153871605 402176429 /nfs/dbraw/zinc/17/64/29/402176429.db2.gz KJTWBGMAVASGMN-QGZVFWFLSA-N 1 0 312.417 2.486 10 0 DEAERO C[NH+](C)Cc1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000125207636 402218934 /nfs/dbraw/zinc/21/89/34/402218934.db2.gz BJUQIMWVNNWCSC-UHFFFAOYSA-N 1 0 312.417 2.491 10 0 DEAERO C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC(C)(C)O1 ZINC000106911783 402221558 /nfs/dbraw/zinc/22/15/58/402221558.db2.gz UMQCXFGULRSQBX-GOEBONIOSA-N 1 0 304.434 2.185 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](O)C1CCCCC1 ZINC000106916671 402222237 /nfs/dbraw/zinc/22/22/37/402222237.db2.gz SXOUDDQRJFKVHP-QZTJIDSGSA-N 1 0 318.461 2.217 10 0 DEAERO O=C(c1ccc(-c2ncon2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000107244710 402228471 /nfs/dbraw/zinc/22/84/71/402228471.db2.gz NBADKTLCYOJKEC-OAHLLOKOSA-N 1 0 312.373 2.047 10 0 DEAERO CC(C)C[C@H](CNC(=O)c1ccc(-c2ncon2)cc1)[NH+](C)C ZINC000107357945 402230968 /nfs/dbraw/zinc/23/09/68/402230968.db2.gz QDZZKFBIOSXOIU-OAHLLOKOSA-N 1 0 316.405 2.443 10 0 DEAERO Cc1ccc(CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000107527427 402234644 /nfs/dbraw/zinc/23/46/44/402234644.db2.gz KEHFPWZSEFUFIE-KRWDZBQOSA-N 1 0 301.434 2.409 10 0 DEAERO COC(=O)[C@H](C)C[N@H+](Cc1ccnn1C)Cc1ccccc1 ZINC000154954722 402239422 /nfs/dbraw/zinc/23/94/22/402239422.db2.gz FJXAOFAFLQJTDI-CQSZACIVSA-N 1 0 301.390 2.231 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2cc(-c3cccs3)on2)CCO1 ZINC000070016294 402255090 /nfs/dbraw/zinc/25/50/90/402255090.db2.gz VSOVPYPEUQOPDP-ZDUSSCGKSA-N 1 0 307.419 2.166 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000155505502 402258854 /nfs/dbraw/zinc/25/88/54/402258854.db2.gz LAHZXDZLZRKKFF-RDJZCZTQSA-N 1 0 315.417 2.201 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000155505315 402259030 /nfs/dbraw/zinc/25/90/30/402259030.db2.gz LAHZXDZLZRKKFF-WBVHZDCISA-N 1 0 315.417 2.201 10 0 DEAERO CCC(CC)[C@H](O)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125004026 402208249 /nfs/dbraw/zinc/20/82/49/402208249.db2.gz SEQKHHWSYWIQIY-AVVWSFFYSA-N 1 0 313.486 2.203 10 0 DEAERO C[C@H](C1CC1)N(C(=O)CN1CCC([NH+]2CCCC2)CC1)C1CC1 ZINC000108865241 402263048 /nfs/dbraw/zinc/26/30/48/402263048.db2.gz WKKJUXOERSCIQF-OAHLLOKOSA-N 1 0 319.493 2.336 10 0 DEAERO CCCCOC(=O)CC[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105919887 402211120 /nfs/dbraw/zinc/21/11/20/402211120.db2.gz WLFJXCODWULHCE-MRXNPFEDSA-N 1 0 322.453 2.340 10 0 DEAERO CC[C@H](C)Oc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000176608631 402323210 /nfs/dbraw/zinc/32/32/10/402323210.db2.gz DCHKTQHQSKUVHE-YOEHRIQHSA-N 1 0 320.433 2.267 10 0 DEAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2noc(C)n2)C1 ZINC000176620632 402323609 /nfs/dbraw/zinc/32/36/09/402323609.db2.gz WWFYXGGAYZJAGF-ZDUSSCGKSA-N 1 0 323.441 2.078 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H](C(=O)OCc2ccccc2)[C@H]1[NH3+] ZINC000071186774 402270910 /nfs/dbraw/zinc/27/09/10/402270910.db2.gz MWWOMPCCBLHWMK-KGLIPLIRSA-N 1 0 320.389 2.272 10 0 DEAERO O[C@H](C[NH2+]C[C@@H](O)C1CC1)COc1c(Cl)cccc1Cl ZINC000071305627 402272264 /nfs/dbraw/zinc/27/22/64/402272264.db2.gz NIYPACHXVCGBMJ-ZWNOBZJWSA-N 1 0 320.216 2.094 10 0 DEAERO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)[C@@H]1CCCO1 ZINC000195603352 402273402 /nfs/dbraw/zinc/27/34/02/402273402.db2.gz RULWYCXZOKAJQD-IMJJTQAJSA-N 1 0 305.422 2.156 10 0 DEAERO C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1nnc2n1CCCC2 ZINC000156347327 402279909 /nfs/dbraw/zinc/27/99/09/402279909.db2.gz LOMZIGUVYAUMKE-CRWXNKLISA-N 1 0 319.453 2.053 10 0 DEAERO CCOc1cccnc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000176160502 402285325 /nfs/dbraw/zinc/28/53/25/402285325.db2.gz VWGPOBFCLSTJCV-UHFFFAOYSA-N 1 0 313.401 2.342 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)C1CCCC1 ZINC000184652568 402288788 /nfs/dbraw/zinc/28/87/88/402288788.db2.gz FOSKZDHQAPBPPR-CYBMUJFWSA-N 1 0 308.397 2.489 10 0 DEAERO COCC[NH+]1CCC(NC(=O)/C(C)=C/c2ccc(F)cc2)CC1 ZINC000176198169 402289653 /nfs/dbraw/zinc/28/96/53/402289653.db2.gz VKCQWKZYHALIDU-BUHFOSPRSA-N 1 0 320.408 2.456 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCOCc1ccccc1 ZINC000176207627 402290556 /nfs/dbraw/zinc/29/05/56/402290556.db2.gz ZJBUIKZMUMUBFG-OAHLLOKOSA-N 1 0 307.438 2.233 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000176298062 402297685 /nfs/dbraw/zinc/29/76/85/402297685.db2.gz RFLPAUUVWSIMST-HNNXBMFYSA-N 1 0 319.405 2.421 10 0 DEAERO O=C(NC1CCC(O)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176375291 402304321 /nfs/dbraw/zinc/30/43/21/402304321.db2.gz OMTSNELEKVRWNQ-UHFFFAOYSA-N 1 0 323.481 2.386 10 0 DEAERO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3C[C@@H]3C)c2)CC1 ZINC000184919556 402309779 /nfs/dbraw/zinc/30/97/79/402309779.db2.gz PJBCQBJNTUPMNC-BBRMVZONSA-N 1 0 302.422 2.358 10 0 DEAERO O=C(NCCOCc1ccccc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000176448725 402310692 /nfs/dbraw/zinc/31/06/92/402310692.db2.gz ODQRUCGMCHEQKU-UHFFFAOYSA-N 1 0 317.433 2.083 10 0 DEAERO CC(C)[C@](C)(O)C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000184955736 402312362 /nfs/dbraw/zinc/31/23/62/402312362.db2.gz JFRJMSKSHYWSEB-GOSISDBHSA-N 1 0 304.434 2.242 10 0 DEAERO COC(=O)CC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)CC(C)C ZINC000184990405 402315140 /nfs/dbraw/zinc/31/51/40/402315140.db2.gz NHQLPEYVNZHDOY-UHFFFAOYSA-N 1 0 320.393 2.096 10 0 DEAERO C[NH+](C)CCCOC1CCN(C(=O)Nc2nccs2)CC1 ZINC000176504629 402315792 /nfs/dbraw/zinc/31/57/92/402315792.db2.gz CNPLRSUBWPNENN-UHFFFAOYSA-N 1 0 312.439 2.108 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)COc1ccccc1C ZINC000159000816 402315998 /nfs/dbraw/zinc/31/59/98/402315998.db2.gz ULXDPASSECFXAH-KURKYZTESA-N 1 0 318.461 2.293 10 0 DEAERO CC[C@@H](Oc1cccc(C)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176519917 402316563 /nfs/dbraw/zinc/31/65/63/402316563.db2.gz KWXNMLIFJFPGIP-NVXWUHKLSA-N 1 0 302.418 2.459 10 0 DEAERO Cc1cscc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000176547032 402318500 /nfs/dbraw/zinc/31/85/00/402318500.db2.gz PTALXAURJOSAKD-HNNXBMFYSA-N 1 0 321.490 2.299 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1 ZINC000185036332 402319243 /nfs/dbraw/zinc/31/92/43/402319243.db2.gz HOYWZYIOBVSIEI-DYVFJYSZSA-N 1 0 317.437 2.237 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H](C)CO ZINC000228728518 402339801 /nfs/dbraw/zinc/33/98/01/402339801.db2.gz OTJZPENWZGJSEY-GMTAPVOTSA-N 1 0 322.232 2.340 10 0 DEAERO CC(C)[C@H]1OCCC[C@H]1CNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000176826240 402340960 /nfs/dbraw/zinc/34/09/60/402340960.db2.gz KGDDPTIHJGWYQV-DOTOQJQBSA-N 1 0 323.481 2.317 10 0 DEAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc2ncccc21 ZINC000176854882 402343186 /nfs/dbraw/zinc/34/31/86/402343186.db2.gz IGEYYFPHRWZHPA-AWEZNQCLSA-N 1 0 315.417 2.321 10 0 DEAERO COc1ccc(C[C@H](C)C[NH2+]CCCn2ccnn2)cc1F ZINC000185322714 402343462 /nfs/dbraw/zinc/34/34/62/402343462.db2.gz HYFXQGFUWUFMMZ-ZDUSSCGKSA-N 1 0 306.385 2.284 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)/C=C/c3ccccc3)C[C@@H]21 ZINC000230130563 402347993 /nfs/dbraw/zinc/34/79/93/402347993.db2.gz QEHQIWCBKNEMOO-KYCPFSKISA-N 1 0 306.431 2.046 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCC[C@@H]2CO)C1 ZINC000230679983 402352032 /nfs/dbraw/zinc/35/20/32/402352032.db2.gz SEDVMKNRXMQTDV-RRFJBIMHSA-N 1 0 312.454 2.384 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(OC)ccc1OC ZINC000176964902 402354921 /nfs/dbraw/zinc/35/49/21/402354921.db2.gz OBMALPBQLOXSSU-CYBMUJFWSA-N 1 0 306.406 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(OC)cc1 ZINC000177024681 402360611 /nfs/dbraw/zinc/36/06/11/402360611.db2.gz DKJUYVUZNPHOFY-HNNXBMFYSA-N 1 0 305.422 2.321 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000177291907 402388095 /nfs/dbraw/zinc/38/80/95/402388095.db2.gz XUQXODBILMQTOH-HZPDHXFCSA-N 1 0 306.454 2.155 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2c(C)cccc2C)CC1 ZINC000177098934 402369591 /nfs/dbraw/zinc/36/95/91/402369591.db2.gz MRWJWFZANGAXQC-HNNXBMFYSA-N 1 0 305.422 2.224 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NO[C@@H]2CCCCO2)[C@@H]1c1ccccc1 ZINC000185733240 402372529 /nfs/dbraw/zinc/37/25/29/402372529.db2.gz WXWKPQNWPFCZEB-XHSDSOJGSA-N 1 0 319.405 2.189 10 0 DEAERO COC1(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCCCC1 ZINC000185914621 402388493 /nfs/dbraw/zinc/38/84/93/402388493.db2.gz WWLKFCDNSRSBMD-HNNXBMFYSA-N 1 0 309.454 2.215 10 0 DEAERO Cc1[nH]c(=S)sc1CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161123497 402374088 /nfs/dbraw/zinc/37/40/88/402374088.db2.gz KMUFBHQMQYCIAV-ONGXEEELSA-N 1 0 313.492 2.128 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1ccccc1OC ZINC000177297286 402388581 /nfs/dbraw/zinc/38/85/81/402388581.db2.gz ULCAAQKTZGVSOZ-INIZCTEOSA-N 1 0 319.449 2.363 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N[C@@H](C)c1cccs1 ZINC000177184648 402379146 /nfs/dbraw/zinc/37/91/46/402379146.db2.gz UVYOKOXUAMRWIK-RRFJBIMHSA-N 1 0 321.490 2.484 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1ccccc1OC ZINC000177297269 402388867 /nfs/dbraw/zinc/38/88/67/402388867.db2.gz ULCAAQKTZGVSOZ-MRXNPFEDSA-N 1 0 319.449 2.363 10 0 DEAERO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000177254784 402385905 /nfs/dbraw/zinc/38/59/05/402385905.db2.gz FAOGBDUQVMACQJ-CQSZACIVSA-N 1 0 300.406 2.391 10 0 DEAERO Cc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)cc1 ZINC000176673125 402327486 /nfs/dbraw/zinc/32/74/86/402327486.db2.gz LWFRFVFYDPUDAT-SFHVURJKSA-N 1 0 315.461 2.237 10 0 DEAERO Fc1ccc(-c2cnc(CN3CCO[C@]4(CCOC4)C3)o2)cc1 ZINC000185174337 402330720 /nfs/dbraw/zinc/33/07/20/402330720.db2.gz YCXUYADQJUHVDF-QGZVFWFLSA-N 1 0 318.348 2.472 10 0 DEAERO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000176784502 402337357 /nfs/dbraw/zinc/33/73/57/402337357.db2.gz VXHUVOXPFVLRIL-BBWFWOEESA-N 1 0 323.481 2.317 10 0 DEAERO COc1ccc(C[C@@H](C)C[NH2+]C[C@@H](C)N2CCOCC2)cc1F ZINC000185270340 402339583 /nfs/dbraw/zinc/33/95/83/402339583.db2.gz HVTSOLWMZHXIBK-HUUCEWRRSA-N 1 0 324.440 2.323 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cc(C)nc3c2cnn3C(C)C)CC1 ZINC000237136156 402396131 /nfs/dbraw/zinc/39/61/31/402396131.db2.gz XNLMKISURFHLMV-UHFFFAOYSA-N 1 0 315.421 2.145 10 0 DEAERO CCOc1ccc(CNC(=O)N(C)CCC[NH+](C)C)cc1F ZINC000186014124 402396354 /nfs/dbraw/zinc/39/63/54/402396354.db2.gz XLLYYMSRQPKLIR-UHFFFAOYSA-N 1 0 311.401 2.318 10 0 DEAERO Cc1ccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)s1 ZINC000186037468 402397387 /nfs/dbraw/zinc/39/73/87/402397387.db2.gz XKJLUKLLQMSDIO-GFCCVEGCSA-N 1 0 310.467 2.204 10 0 DEAERO CN1CCC(CNC(=O)NC2(C)CCC2)([NH+]2CCCCC2)CC1 ZINC000161758261 402397907 /nfs/dbraw/zinc/39/79/07/402397907.db2.gz MBBIZADAOJHTNB-UHFFFAOYSA-N 1 0 322.497 2.179 10 0 DEAERO COc1ccc(CCNC(=O)[C@@H]2CC23CC[NH2+]CC3)c(Cl)c1 ZINC000237250868 402401288 /nfs/dbraw/zinc/40/12/88/402401288.db2.gz SRNXYBHFAIXUEU-AWEZNQCLSA-N 1 0 322.836 2.397 10 0 DEAERO C[NH2+]CCN(C)C(=O)C(C)(C)c1cccc(Br)c1 ZINC000237261313 402401659 /nfs/dbraw/zinc/40/16/59/402401659.db2.gz JEVNUPNIERIJQC-UHFFFAOYSA-N 1 0 313.239 2.405 10 0 DEAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000177454872 402404397 /nfs/dbraw/zinc/40/43/97/402404397.db2.gz HRCGNBHXJOLXCU-XMHCIUCPSA-N 1 0 323.462 2.230 10 0 DEAERO C[C@H](c1ccccc1Cl)N1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000237394220 402407060 /nfs/dbraw/zinc/40/70/60/402407060.db2.gz VQCMCJRTIDZNDD-GFCCVEGCSA-N 1 0 309.841 2.283 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1sc(C)nc1C ZINC000177498685 402409460 /nfs/dbraw/zinc/40/94/60/402409460.db2.gz RHWHPZYWEFKMCV-AWEZNQCLSA-N 1 0 324.494 2.428 10 0 DEAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186212037 402410991 /nfs/dbraw/zinc/41/09/91/402410991.db2.gz JNKSPNSIJUXNAE-IRXDYDNUSA-N 1 0 317.429 2.090 10 0 DEAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1nc(C2CCCCC2)no1 ZINC000237530675 402411108 /nfs/dbraw/zinc/41/11/08/402411108.db2.gz LBPJJCLNUWTEPO-WCFLWFBJSA-N 1 0 306.410 2.422 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCNc1ccccn1 ZINC000177524513 402412311 /nfs/dbraw/zinc/41/23/11/402412311.db2.gz SLZDCSAEPCNGPJ-HNNXBMFYSA-N 1 0 319.453 2.009 10 0 DEAERO C[C@H](NC(=O)[C@](C)([NH3+])c1ccccc1)c1ccc2c(c1)OCO2 ZINC000237557397 402412531 /nfs/dbraw/zinc/41/25/31/402412531.db2.gz LMRYCTBJIAMSMJ-KPZWWZAWSA-N 1 0 312.369 2.467 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1nccn1CC(C)C ZINC000177545454 402414442 /nfs/dbraw/zinc/41/44/42/402414442.db2.gz VHZQDAHHVRQWIK-OAHLLOKOSA-N 1 0 321.469 2.165 10 0 DEAERO C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237633596 402416231 /nfs/dbraw/zinc/41/62/31/402416231.db2.gz NAPUVZBYQBQZDI-RYUDHWBXSA-N 1 0 312.360 2.238 10 0 DEAERO Cc1cc(C)n(Cc2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2)n1 ZINC000237661826 402417120 /nfs/dbraw/zinc/41/71/20/402417120.db2.gz VLLSQFUYXGBTLT-QGZVFWFLSA-N 1 0 312.417 2.015 10 0 DEAERO C[C@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000237719812 402419183 /nfs/dbraw/zinc/41/91/83/402419183.db2.gz LMZPAWHWNQNEIL-WFASDCNBSA-N 1 0 306.381 2.386 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C(=O)NC)cc1 ZINC000177993257 402450601 /nfs/dbraw/zinc/45/06/01/402450601.db2.gz ZBTGOOSCRWJZIR-IAGOWNOFSA-N 1 0 301.434 2.105 10 0 DEAERO Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)C2)n1 ZINC000237743475 402419436 /nfs/dbraw/zinc/41/94/36/402419436.db2.gz JRIMUOGBWNSTJQ-XGUBFFRZSA-N 1 0 318.421 2.005 10 0 DEAERO COc1cccc(F)c1[C@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000186315220 402420444 /nfs/dbraw/zinc/42/04/44/402420444.db2.gz OYQLBFISHXTHEG-LBPRGKRZSA-N 1 0 311.401 2.488 10 0 DEAERO OC[C@@]1([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCOC1 ZINC000186646281 402450762 /nfs/dbraw/zinc/45/07/62/402450762.db2.gz NDNHHAMKMVERAO-KRWDZBQOSA-N 1 0 324.852 2.045 10 0 DEAERO Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000237923751 402425938 /nfs/dbraw/zinc/42/59/38/402425938.db2.gz KREKTIBTTRSTQK-INIZCTEOSA-N 1 0 300.402 2.168 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)C12CCOCC2 ZINC000186375244 402426279 /nfs/dbraw/zinc/42/62/79/402426279.db2.gz HVIYAKQYJFEYNV-RCCFBDPRSA-N 1 0 319.445 2.326 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000177699932 402428149 /nfs/dbraw/zinc/42/81/49/402428149.db2.gz SWRMKKGGAMHCQN-ZDUSSCGKSA-N 1 0 311.376 2.319 10 0 DEAERO CCN(C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000177777506 402435492 /nfs/dbraw/zinc/43/54/92/402435492.db2.gz VMKAXAJDWCEOAI-QGZVFWFLSA-N 1 0 301.434 2.210 10 0 DEAERO COc1ccc(F)cc1CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000186497990 402436392 /nfs/dbraw/zinc/43/63/92/402436392.db2.gz JJPWDPDXMFUOQA-DOMZBBRYSA-N 1 0 308.397 2.318 10 0 DEAERO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]2Cn2ccnc2)c1 ZINC000177804075 402437937 /nfs/dbraw/zinc/43/79/37/402437937.db2.gz BBWBQEZJRQNPDV-KRWDZBQOSA-N 1 0 312.417 2.250 10 0 DEAERO Cc1nnc(CN2CC[NH+](C3CCCCC3)CC2)n1C1CC1 ZINC000163037113 402439832 /nfs/dbraw/zinc/43/98/32/402439832.db2.gz IHSWKWIFVHHCMQ-UHFFFAOYSA-N 1 0 303.454 2.372 10 0 DEAERO CC(=O)Nc1ccc(F)c(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186546969 402440888 /nfs/dbraw/zinc/44/08/88/402440888.db2.gz AULXGQPVYGTFSD-ZDUSSCGKSA-N 1 0 319.380 2.141 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000163127084 402442336 /nfs/dbraw/zinc/44/23/36/402442336.db2.gz BOYVIRLOTCBGOW-OLZOCXBDSA-N 1 0 317.216 2.189 10 0 DEAERO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CCOC1 ZINC000177929201 402444989 /nfs/dbraw/zinc/44/49/89/402444989.db2.gz LZKLWJKUZFEATP-CRAIPNDOSA-N 1 0 312.413 2.411 10 0 DEAERO CNC(=O)Nc1cccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000177958272 402447240 /nfs/dbraw/zinc/44/72/40/402447240.db2.gz MMLAAPFWUQIEEP-MRXNPFEDSA-N 1 0 324.384 2.091 10 0 DEAERO COc1ccc([C@H]2CC[N@H+](C[C@H](C)CS(C)(=O)=O)C2)cc1 ZINC000163338371 402447308 /nfs/dbraw/zinc/44/73/08/402447308.db2.gz HFLFLKOMKJLZOT-ZFWWWQNUSA-N 1 0 311.447 2.165 10 0 DEAERO COc1ccc(OCCC[N@@H+]2CCCC[C@]2(C)C(N)=O)cc1 ZINC000185966368 402393671 /nfs/dbraw/zinc/39/36/71/402393671.db2.gz SWQCNYKYMVYGIB-QGZVFWFLSA-N 1 0 306.406 2.194 10 0 DEAERO CCOCCC1(CNC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000161615399 402393845 /nfs/dbraw/zinc/39/38/45/402393845.db2.gz VEVKEUKQQFAJFT-OAHLLOKOSA-N 1 0 311.470 2.319 10 0 DEAERO CSc1nsc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000246121306 402511499 /nfs/dbraw/zinc/51/14/99/402511499.db2.gz YOWYYLISMNJBHV-RKDXNWHRSA-N 1 0 315.468 2.110 10 0 DEAERO O=C1[C@@H](N2CC[N@@H+]3CCCC[C@H]3C2)CCN1c1ccccc1F ZINC000246121904 402511590 /nfs/dbraw/zinc/51/15/90/402511590.db2.gz AYBHIRWSEFTJEL-YOEHRIQHSA-N 1 0 317.408 2.101 10 0 DEAERO C[C@@H](CNC(=O)NC[C@@H]1CCC(C)(C)O1)[N@@H+]1CCC[C@@H](C)C1 ZINC000186657246 402452361 /nfs/dbraw/zinc/45/23/61/402452361.db2.gz PYNBIEFPDLDACD-ILXRZTDVSA-N 1 0 311.470 2.364 10 0 DEAERO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(C)n1 ZINC000186674068 402454116 /nfs/dbraw/zinc/45/41/16/402454116.db2.gz NCJVCKVOGSXBMS-KRWDZBQOSA-N 1 0 301.434 2.437 10 0 DEAERO C[C@H](c1ccccc1)[C@](C)(O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245427372 402459770 /nfs/dbraw/zinc/45/97/70/402459770.db2.gz VZTMZTUKOFYDFL-LFEHRJTNSA-N 1 0 316.445 2.236 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2cccs2)[C@@H](C)C1 ZINC000245427998 402459975 /nfs/dbraw/zinc/45/99/75/402459975.db2.gz MHDBTSVVIMYPMO-ZFWWWQNUSA-N 1 0 309.479 2.026 10 0 DEAERO CN(CC[N@H+](C)C1CC1)C(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000186762516 402462795 /nfs/dbraw/zinc/46/27/95/402462795.db2.gz QVKFEYPAYFZIKK-UHFFFAOYSA-N 1 0 316.380 2.382 10 0 DEAERO CC(C)[C@@H](CNC(=O)C[N@H+](C)CC1(CO)CC1)c1ccccc1 ZINC000186773313 402463489 /nfs/dbraw/zinc/46/34/89/402463489.db2.gz HWBGFQZLHBZEMK-QGZVFWFLSA-N 1 0 318.461 2.247 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000164613271 402465510 /nfs/dbraw/zinc/46/55/10/402465510.db2.gz IWRDHPQLZAGAIA-QMMMGPOBSA-N 1 0 313.195 2.252 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000186819362 402466395 /nfs/dbraw/zinc/46/63/95/402466395.db2.gz MWJSSHCQDDDISN-XHDPSFHLSA-N 1 0 318.808 2.254 10 0 DEAERO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1 ZINC000245501478 402466725 /nfs/dbraw/zinc/46/67/25/402466725.db2.gz CVTBRJZVSRWBME-XJKSGUPXSA-N 1 0 307.390 2.238 10 0 DEAERO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCn2ncnc21 ZINC000164663406 402466898 /nfs/dbraw/zinc/46/68/98/402466898.db2.gz JBATXHUNBWUTST-HZPDHXFCSA-N 1 0 318.396 2.490 10 0 DEAERO COCc1ccsc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000245526941 402468283 /nfs/dbraw/zinc/46/82/83/402468283.db2.gz PPJOAXBEKLHMKG-GXTWGEPZSA-N 1 0 308.447 2.451 10 0 DEAERO COCC[N@@H+]1CCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)C[C@@H]1C ZINC000245533732 402468692 /nfs/dbraw/zinc/46/86/92/402468692.db2.gz HOWAJZGWNAKFNP-KBPBESRZSA-N 1 0 324.421 2.088 10 0 DEAERO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCN(C3CC3)CC2)CC1 ZINC000186890263 402469902 /nfs/dbraw/zinc/46/99/02/402469902.db2.gz WUZNTCXUWJXTQW-UHFFFAOYSA-N 1 0 321.509 2.441 10 0 DEAERO CC[C@H](C)Oc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000245566638 402471645 /nfs/dbraw/zinc/47/16/45/402471645.db2.gz RCMGPYFQOCAAHQ-ZFWWWQNUSA-N 1 0 303.406 2.179 10 0 DEAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)o1 ZINC000165008060 402472018 /nfs/dbraw/zinc/47/20/18/402472018.db2.gz FIFLPXNNJATQNO-CZUORRHYSA-N 1 0 308.422 2.376 10 0 DEAERO CC[C@H](CSC)[N@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000245601461 402473948 /nfs/dbraw/zinc/47/39/48/402473948.db2.gz PEBZNTODGYMDRU-RBSFLKMASA-N 1 0 314.495 2.230 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245626616 402475210 /nfs/dbraw/zinc/47/52/10/402475210.db2.gz GRCOVSNOMGJPPH-YESZJQIVSA-N 1 0 317.433 2.252 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(Cl)cn2)C1 ZINC000245634634 402475991 /nfs/dbraw/zinc/47/59/91/402475991.db2.gz BPNCJLJWNPYLDH-SMDDNHRTSA-N 1 0 310.829 2.263 10 0 DEAERO CCC[C@@H](C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000245634549 402475997 /nfs/dbraw/zinc/47/59/97/402475997.db2.gz BNXJOHQOLBWNPG-JKSUJKDBSA-N 1 0 310.463 2.194 10 0 DEAERO Cc1nnc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000245649028 402476672 /nfs/dbraw/zinc/47/66/72/402476672.db2.gz MIOZWWRYSWYJNG-OLZOCXBDSA-N 1 0 317.418 2.413 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1COc2ccccc21 ZINC000245658490 402477201 /nfs/dbraw/zinc/47/72/01/402477201.db2.gz CVFPFBCBCATARX-YCPHGPKFSA-N 1 0 315.417 2.388 10 0 DEAERO Cc1cc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)no1 ZINC000245654160 402477337 /nfs/dbraw/zinc/47/73/37/402477337.db2.gz FOEAFAVPYDAVTH-ZFWWWQNUSA-N 1 0 321.327 2.436 10 0 DEAERO Cc1ncc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)s1 ZINC000245673339 402478608 /nfs/dbraw/zinc/47/86/08/402478608.db2.gz FMKAVBXIHFKDGS-TZMCWYRMSA-N 1 0 306.435 2.131 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC000178276111 402478774 /nfs/dbraw/zinc/47/87/74/402478774.db2.gz CIILHZPBHAXQHL-INIZCTEOSA-N 1 0 304.434 2.440 10 0 DEAERO CCCOCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245684287 402479163 /nfs/dbraw/zinc/47/91/63/402479163.db2.gz NGMWSGGSSHANLU-ZBFHGGJFSA-N 1 0 312.360 2.253 10 0 DEAERO CC[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)CC[N@@H+]1C[C@H](C)O ZINC000245694034 402480169 /nfs/dbraw/zinc/48/01/69/402480169.db2.gz XRVAFJZSTNJUJS-GXTWGEPZSA-N 1 0 318.408 2.116 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@H](C)O1 ZINC000245699779 402480900 /nfs/dbraw/zinc/48/09/00/402480900.db2.gz ZANPUTGZHODSPZ-WTTBNOFXSA-N 1 0 317.433 2.251 10 0 DEAERO COCC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245711382 402481426 /nfs/dbraw/zinc/48/14/26/402481426.db2.gz PEMJDBFEWRSKGL-IAQYHMDHSA-N 1 0 314.788 2.235 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2c[nH]nc2C(C)(C)C)C[C@H]1C ZINC000245787035 402488512 /nfs/dbraw/zinc/48/85/12/402488512.db2.gz VKAGAXWXANGBAU-CQSZACIVSA-N 1 0 308.470 2.250 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccn2ccnc2c1 ZINC000178371567 402491395 /nfs/dbraw/zinc/49/13/95/402491395.db2.gz CLKRBXXXIVQAPY-KRWDZBQOSA-N 1 0 322.412 2.123 10 0 DEAERO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000178380744 402491610 /nfs/dbraw/zinc/49/16/10/402491610.db2.gz DMZBSGQCKHOCJB-YVEFUNNKSA-N 1 0 324.421 2.092 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CCO)c1ccco1 ZINC000187379909 402496854 /nfs/dbraw/zinc/49/68/54/402496854.db2.gz ISWXWHWTIXYKLW-HUUCEWRRSA-N 1 0 323.437 2.123 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H](O)C1CCCCC1 ZINC000187385244 402497413 /nfs/dbraw/zinc/49/74/13/402497413.db2.gz IWAPLJOYNIGNDG-QZTJIDSGSA-N 1 0 318.461 2.217 10 0 DEAERO C[C@H]1CCC[N@H+](CCNC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000245961684 402501019 /nfs/dbraw/zinc/50/10/19/402501019.db2.gz MRBVBYLVGCDDQC-HOCLYGCPSA-N 1 0 319.453 2.378 10 0 DEAERO NC(=O)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245987615 402501934 /nfs/dbraw/zinc/50/19/34/402501934.db2.gz WIDXNGBZRRDRKQ-HOTGVXAUSA-N 1 0 320.458 2.272 10 0 DEAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000246045698 402505433 /nfs/dbraw/zinc/50/54/33/402505433.db2.gz OOXZQFBWCHTXLI-SQWLQELKSA-N 1 0 309.431 2.456 10 0 DEAERO Cn1cc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c(-c2ccncc2)n1 ZINC000246055983 402506052 /nfs/dbraw/zinc/50/60/52/402506052.db2.gz YSCMWXDLXAQQKW-NVXWUHKLSA-N 1 0 314.433 2.465 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC000187625798 402506909 /nfs/dbraw/zinc/50/69/09/402506909.db2.gz KBFYBBPQVLZSBD-HOCLYGCPSA-N 1 0 311.470 2.175 10 0 DEAERO CC1(C)CC[C@@H](C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)O1 ZINC000187648298 402507082 /nfs/dbraw/zinc/50/70/82/402507082.db2.gz NBQKFJTXIFGQIN-KBPBESRZSA-N 1 0 310.825 2.284 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000187691320 402508471 /nfs/dbraw/zinc/50/84/71/402508471.db2.gz VXYHTGFYLJSLIW-SJLPKXTDSA-N 1 0 306.450 2.240 10 0 DEAERO C[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1CCO ZINC000187700167 402508907 /nfs/dbraw/zinc/50/89/07/402508907.db2.gz ZVRCOCVSLLUAQA-GFCCVEGCSA-N 1 0 318.339 2.084 10 0 DEAERO Cn1ccnc1CC1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000178539337 402509424 /nfs/dbraw/zinc/50/94/24/402509424.db2.gz KOZRLOJYIDQETH-UHFFFAOYSA-N 1 0 313.405 2.116 10 0 DEAERO O=C(C[C@@H]1OCCc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246719146 402542120 /nfs/dbraw/zinc/54/21/20/402542120.db2.gz GKKFMKYNWUIMOI-WMZOPIPTSA-N 1 0 314.429 2.387 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000189549035 402544602 /nfs/dbraw/zinc/54/46/02/402544602.db2.gz VSYFQMAZOAMOGB-WMLDXEAASA-N 1 0 320.433 2.098 10 0 DEAERO CC[C@@H]1CN(CCc2ccc(F)c(F)c2)CC[N@@H+]1C[C@H](C)O ZINC000246937573 402550510 /nfs/dbraw/zinc/55/05/10/402550510.db2.gz WSRZAQCFVOWOJE-DZGCQCFKSA-N 1 0 312.404 2.284 10 0 DEAERO COc1ccccc1CC1CC[NH+](CCCNC(C)=O)CC1 ZINC000171040173 402552199 /nfs/dbraw/zinc/55/21/99/402552199.db2.gz JKVPYJXGTOYJPG-UHFFFAOYSA-N 1 0 304.434 2.476 10 0 DEAERO CCCN(C(=O)Cc1c(C)nn(CC(C)C)c1C)[C@H]1CC[NH2+]C1 ZINC000178912082 402553943 /nfs/dbraw/zinc/55/39/43/402553943.db2.gz HIQHHJJNDGICDW-INIZCTEOSA-N 1 0 320.481 2.299 10 0 DEAERO CCOc1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)ccc1OC ZINC000171078514 402555279 /nfs/dbraw/zinc/55/52/79/402555279.db2.gz UIDPMYQLHVNSIJ-ZDUSSCGKSA-N 1 0 307.394 2.262 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000247069250 402555724 /nfs/dbraw/zinc/55/57/24/402555724.db2.gz YFNOKXGOEWPRAH-ARFHVFGLSA-N 1 0 309.454 2.071 10 0 DEAERO C[C@H](Cc1ccc(O)cc1)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247124156 402557324 /nfs/dbraw/zinc/55/73/24/402557324.db2.gz JEEKKMHQOINGHF-YCPHGPKFSA-N 1 0 317.433 2.201 10 0 DEAERO CCCC(=O)NC[C@H]1CCCN(Cc2nnc(C(C)C)n2C)C1 ZINC000171097506 402557541 /nfs/dbraw/zinc/55/75/41/402557541.db2.gz XAVYRPBSGJQXLF-CQSZACIVSA-N 1 0 321.469 2.067 10 0 DEAERO CCc1ccccc1NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247127722 402557717 /nfs/dbraw/zinc/55/77/17/402557717.db2.gz JHKCEENYEDFLQT-GDBMZVCRSA-N 1 0 301.434 2.356 10 0 DEAERO CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247137079 402558257 /nfs/dbraw/zinc/55/82/57/402558257.db2.gz SQXJWYBLFHBCRK-UONOGXRCSA-N 1 0 312.454 2.345 10 0 DEAERO CC(C)Oc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000247155626 402558745 /nfs/dbraw/zinc/55/87/45/402558745.db2.gz XMDKUOKXXWFTHS-KBPBESRZSA-N 1 0 303.406 2.178 10 0 DEAERO COc1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1Cl ZINC000178991405 402562915 /nfs/dbraw/zinc/56/29/15/402562915.db2.gz CIGIRVVSYFZUOV-CHWSQXEVSA-N 1 0 312.841 2.236 10 0 DEAERO CC(=O)Nc1ccc(F)c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000247322333 402563541 /nfs/dbraw/zinc/56/35/41/402563541.db2.gz OSGGYDRUBCVPIQ-FZMZJTMJSA-N 1 0 319.380 2.093 10 0 DEAERO O=C(c1cnc(-c2ccccn2)s1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171299732 402575442 /nfs/dbraw/zinc/57/54/42/402575442.db2.gz OEVIVGSWVCWECJ-GFCCVEGCSA-N 1 0 314.414 2.125 10 0 DEAERO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)COCc1ccccc1 ZINC000171191223 402565480 /nfs/dbraw/zinc/56/54/80/402565480.db2.gz MQZFHAXUJGOVHY-RDJZCZTQSA-N 1 0 319.449 2.233 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000247480865 402568835 /nfs/dbraw/zinc/56/88/35/402568835.db2.gz JKSRDJIFHCOFRR-BZUAXINKSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1cccc(O)c1 ZINC000247532919 402571083 /nfs/dbraw/zinc/57/10/83/402571083.db2.gz XRKJRLUAKDYOCF-YDHLFZDLSA-N 1 0 303.406 2.331 10 0 DEAERO C[C@@H]1CN(C(=O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)C[C@@H](C)O1 ZINC000247523041 402571380 /nfs/dbraw/zinc/57/13/80/402571380.db2.gz NOJDMJIVNVAAQT-BFYDXBDKSA-N 1 0 324.465 2.046 10 0 DEAERO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CC1(CO)CC1)c1ccc(F)cc1 ZINC000190023919 402571399 /nfs/dbraw/zinc/57/13/99/402571399.db2.gz AKMRAXUJZBVUAU-CHWSQXEVSA-N 1 0 308.397 2.096 10 0 DEAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000246228420 402518999 /nfs/dbraw/zinc/51/89/99/402518999.db2.gz CANHISNYYRGEJK-HUBLWGQQSA-N 1 0 321.396 2.443 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000178627589 402519094 /nfs/dbraw/zinc/51/90/94/402519094.db2.gz HQDQXQKIWGJZEP-WBMJQRKESA-N 1 0 323.387 2.319 10 0 DEAERO Cc1c(O)ccc2c(CN3CC[N@@H+]4CCC[C@@H]4C3)cc(=O)oc12 ZINC000178627264 402519119 /nfs/dbraw/zinc/51/91/19/402519119.db2.gz SUVCRSLRLLWOIH-CQSZACIVSA-N 1 0 314.385 2.087 10 0 DEAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)N[C@H](c1ccccc1)C1CC1 ZINC000178641934 402520635 /nfs/dbraw/zinc/52/06/35/402520635.db2.gz PCVNFSGQSUILJY-IEBWSBKVSA-N 1 0 313.445 2.034 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)NC)c1)[NH+](C)C ZINC000178650516 402521800 /nfs/dbraw/zinc/52/18/00/402521800.db2.gz YRNHLGOIQHQXBZ-ZDUSSCGKSA-N 1 0 311.813 2.368 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](C)c2cccc(O)c2)C1 ZINC000246318452 402524513 /nfs/dbraw/zinc/52/45/13/402524513.db2.gz FJFJCLTZCXZVTQ-DVOMOZLQSA-N 1 0 305.422 2.481 10 0 DEAERO COC(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000178676228 402525232 /nfs/dbraw/zinc/52/52/32/402525232.db2.gz AZZZVXJVMVKPDD-CYBMUJFWSA-N 1 0 305.422 2.148 10 0 DEAERO C[C@@H](CCNC(=O)c1cn2ccnc2s1)[NH+]1CCCCC1 ZINC000188793185 402526291 /nfs/dbraw/zinc/52/62/91/402526291.db2.gz IILZCRFZWYSAEF-LBPRGKRZSA-N 1 0 306.435 2.390 10 0 DEAERO C[C@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H](c2ccco2)C1 ZINC000188929772 402528580 /nfs/dbraw/zinc/52/85/80/402528580.db2.gz ZQKCZJKZVIATOY-SMDDNHRTSA-N 1 0 314.389 2.262 10 0 DEAERO CC(C)[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246391686 402528626 /nfs/dbraw/zinc/52/86/26/402528626.db2.gz SMURGFQZXJUOHY-CABCVRRESA-N 1 0 302.484 2.169 10 0 DEAERO COc1ccc([C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C2CC2)cc1 ZINC000170827497 402529639 /nfs/dbraw/zinc/52/96/39/402529639.db2.gz HIIWSQQHYPUSJR-WBVHZDCISA-N 1 0 317.433 2.492 10 0 DEAERO Cc1cccc(C)c1OCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170831492 402530541 /nfs/dbraw/zinc/53/05/41/402530541.db2.gz KOJKDHVRIVHAQI-OAHLLOKOSA-N 1 0 305.422 2.028 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCC(C)(C)c2ccccc2F)C1 ZINC000170836049 402531679 /nfs/dbraw/zinc/53/16/79/402531679.db2.gz IDBWMSHGVFTETJ-ZDUSSCGKSA-N 1 0 307.413 2.449 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)CC2(CC(=O)OC)CCCC2)C1 ZINC000189176959 402531884 /nfs/dbraw/zinc/53/18/84/402531884.db2.gz GZFATOXMHWQIHN-AWEZNQCLSA-N 1 0 310.438 2.101 10 0 DEAERO CCCCc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170845306 402532056 /nfs/dbraw/zinc/53/20/56/402532056.db2.gz KLLOPUFUYTWXFI-MRXNPFEDSA-N 1 0 317.433 2.130 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](O)C1CCCCC1 ZINC000170840182 402532190 /nfs/dbraw/zinc/53/21/90/402532190.db2.gz YQUJCJSZPDCVBY-HZPDHXFCSA-N 1 0 313.486 2.203 10 0 DEAERO CO[C@@H]1C[N@H+](CC(=O)NCCc2ccccc2C)CC[C@H]1C ZINC000189371138 402535486 /nfs/dbraw/zinc/53/54/86/402535486.db2.gz MFGQTFKYHXEXMI-NVXWUHKLSA-N 1 0 304.434 2.011 10 0 DEAERO Cc1oc(-c2cccs2)nc1CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170867886 402535831 /nfs/dbraw/zinc/53/58/31/402535831.db2.gz WUBQPGABRVKJMM-GFCCVEGCSA-N 1 0 319.430 2.417 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C)n2)[C@@H](C)C1 ZINC000246567249 402536861 /nfs/dbraw/zinc/53/68/61/402536861.db2.gz YIMOGIFGWIEIOP-BBRMVZONSA-N 1 0 304.438 2.262 10 0 DEAERO CC[C@]1(C)C[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246663145 402540244 /nfs/dbraw/zinc/54/02/44/402540244.db2.gz LSARPKFWNXPBIA-KYHPRHEASA-N 1 0 308.466 2.307 10 0 DEAERO Cc1cnn(CCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000248062436 402581440 /nfs/dbraw/zinc/58/14/40/402581440.db2.gz PFXFXOWFZRSZGE-AEFFLSMTSA-N 1 0 312.417 2.143 10 0 DEAERO CCN(CC(C)(C)O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248145710 402583296 /nfs/dbraw/zinc/58/32/96/402583296.db2.gz ZOEFJBZHTBQPRM-CVEARBPZSA-N 1 0 319.449 2.234 10 0 DEAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cnn1-c1ccccc1 ZINC000171585500 402597947 /nfs/dbraw/zinc/59/79/47/402597947.db2.gz XYZXKQBJXFNQAP-MRXNPFEDSA-N 1 0 310.401 2.101 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(N(C)C)n2)[C@@H](C)C1 ZINC000248603261 402598042 /nfs/dbraw/zinc/59/80/42/402598042.db2.gz VRDFQPQKLLKNKO-UONOGXRCSA-N 1 0 319.453 2.342 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H]1CCCOC1 ZINC000171593037 402598675 /nfs/dbraw/zinc/59/86/75/402598675.db2.gz ABZJVHSKLDVGEK-QGZVFWFLSA-N 1 0 317.433 2.261 10 0 DEAERO CC[C@@H]1CCC[C@H](NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000248614461 402598707 /nfs/dbraw/zinc/59/87/07/402598707.db2.gz LQWWADYURVZKPH-JJXSEGSLSA-N 1 0 311.470 2.052 10 0 DEAERO CCC(CC)[C@H](CNC(=O)N[C@@H]1CCCOC1)[NH+]1CCCC1 ZINC000171594639 402599015 /nfs/dbraw/zinc/59/90/15/402599015.db2.gz QANABJNVLMXVOB-CVEARBPZSA-N 1 0 311.470 2.365 10 0 DEAERO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCCOC2)c1 ZINC000171602913 402600102 /nfs/dbraw/zinc/60/01/02/402600102.db2.gz RSUUFVBGFBNSJV-INIZCTEOSA-N 1 0 305.422 2.117 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1O ZINC000171611323 402601449 /nfs/dbraw/zinc/60/14/49/402601449.db2.gz XMSUTQOWLMNWPU-KRWDZBQOSA-N 1 0 312.413 2.224 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCc2cccc3c2OCO3)C1 ZINC000248651124 402601885 /nfs/dbraw/zinc/60/18/85/402601885.db2.gz XJQKSWRKWQJQQS-DZGCQCFKSA-N 1 0 318.417 2.193 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)C[C@H]12 ZINC000248667594 402602825 /nfs/dbraw/zinc/60/28/25/402602825.db2.gz XDIQZRZIWHIQCZ-QCPCCJPKSA-N 1 0 306.356 2.264 10 0 DEAERO CN1CC[N@H+](CCCNCc2cocn2)[C@@H](c2ccccc2)C1 ZINC000248683795 402603358 /nfs/dbraw/zinc/60/33/58/402603358.db2.gz XWQLCKZFYOHMOG-GOSISDBHSA-N 1 0 314.433 2.143 10 0 DEAERO CCN(C(=O)[C@H](C)[NH2+]CCn1cc(C)cn1)C1CCCCC1 ZINC000171632904 402603857 /nfs/dbraw/zinc/60/38/57/402603857.db2.gz VZJUKSAESNNBPQ-HNNXBMFYSA-N 1 0 306.454 2.351 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCc1ccccc1O ZINC000171633499 402603899 /nfs/dbraw/zinc/60/38/99/402603899.db2.gz DETXDYVVKGDENB-HNNXBMFYSA-N 1 0 307.438 2.210 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCCc2ccccc2O)CC1 ZINC000171673567 402608371 /nfs/dbraw/zinc/60/83/71/402608371.db2.gz WODSUIRLMASUDK-UHFFFAOYSA-N 1 0 319.449 2.356 10 0 DEAERO C[N@H+](C[C@H](O)COCc1ccccc1)C[C@@H](O)CC1CCCC1 ZINC000190542358 402608421 /nfs/dbraw/zinc/60/84/21/402608421.db2.gz RNQVFVJLLHDTCK-OALUTQOASA-N 1 0 321.461 2.437 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248788870 402608754 /nfs/dbraw/zinc/60/87/54/402608754.db2.gz XBJKCJPREMYKKK-JQHSSLGASA-N 1 0 316.445 2.440 10 0 DEAERO O[C@@H](CNCc1ccc(OCC2CC2)cc1)C[NH+]1CCCCC1 ZINC000190855330 402627908 /nfs/dbraw/zinc/62/79/08/402627908.db2.gz AQLWMOZPKFRTOJ-SFHVURJKSA-N 1 0 318.461 2.412 10 0 DEAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCOc1ccc(OC)cc1 ZINC000248861356 402611777 /nfs/dbraw/zinc/61/17/77/402611777.db2.gz SAEDEBDALMVJCB-XYPHTWIQSA-N 1 0 319.401 2.348 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000248885248 402612916 /nfs/dbraw/zinc/61/29/16/402612916.db2.gz UJDOOYRWSJCWFL-KBAYOESNSA-N 1 0 316.445 2.440 10 0 DEAERO C[NH+](C)CC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000180358184 402613953 /nfs/dbraw/zinc/61/39/53/402613953.db2.gz QRTTZQMWZYAASF-ZDUSSCGKSA-N 1 0 316.323 2.167 10 0 DEAERO C[C@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CCS1 ZINC000171734424 402616481 /nfs/dbraw/zinc/61/64/81/402616481.db2.gz ZXACQUVJIIATHL-ZDUSSCGKSA-N 1 0 307.463 2.395 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@@]2(CC)CO)CC1 ZINC000190669971 402617061 /nfs/dbraw/zinc/61/70/61/402617061.db2.gz AWDHASRPHFWHFV-KRWDZBQOSA-N 1 0 311.470 2.055 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC000190669722 402617114 /nfs/dbraw/zinc/61/71/14/402617114.db2.gz UNBWRPPLOPNEGI-GOEBONIOSA-N 1 0 311.470 2.175 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@]2(CC)CO)CC1 ZINC000190669990 402617202 /nfs/dbraw/zinc/61/72/02/402617202.db2.gz AWDHASRPHFWHFV-QGZVFWFLSA-N 1 0 311.470 2.055 10 0 DEAERO O[C@@H](COc1ccccc1)CN1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000171746611 402618008 /nfs/dbraw/zinc/61/80/08/402618008.db2.gz ZECVXOXLXKYGIE-ZWKOTPCHSA-N 1 0 316.445 2.153 10 0 DEAERO CC(C)[NH+](CCNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)C(C)C ZINC000171745920 402618068 /nfs/dbraw/zinc/61/80/68/402618068.db2.gz SSIHHHNVOFKMBN-SJORKVTESA-N 1 0 319.449 2.063 10 0 DEAERO CCn1cc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cn1 ZINC000180535866 402619704 /nfs/dbraw/zinc/61/97/04/402619704.db2.gz KSRQWBZHUKEVRW-OCCSQVGLSA-N 1 0 302.426 2.284 10 0 DEAERO CCCC[C@H](COC)[NH2+]C[C@H]1CCCN1c1cc(NC)ncn1 ZINC000180571237 402620378 /nfs/dbraw/zinc/62/03/78/402620378.db2.gz CKTUSESZYHWELL-HUUCEWRRSA-N 1 0 321.469 2.282 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000249182773 402622860 /nfs/dbraw/zinc/62/28/60/402622860.db2.gz JBROTAPHLLFFGL-IAGOWNOFSA-N 1 0 314.433 2.200 10 0 DEAERO CC(C)Cn1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000180707490 402623989 /nfs/dbraw/zinc/62/39/89/402623989.db2.gz QDGBRKNQYFVYEE-UHFFFAOYSA-N 1 0 318.465 2.487 10 0 DEAERO O=C(Nc1cnc(-c2ccccc2)nc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171807313 402624065 /nfs/dbraw/zinc/62/40/65/402624065.db2.gz HDSKLLORAXGQKA-MRXNPFEDSA-N 1 0 323.400 2.456 10 0 DEAERO COc1cccc(C[NH+]2CCC(Cc3nccn3C)CC2)n1 ZINC000171828914 402626455 /nfs/dbraw/zinc/62/64/55/402626455.db2.gz LMFSDMIROXXUOM-UHFFFAOYSA-N 1 0 300.406 2.278 10 0 DEAERO CCc1nccn1[C@H]1CCCN(C(=O)C[N@@H+](CC)C2CC2)C1 ZINC000179168847 402577779 /nfs/dbraw/zinc/57/77/79/402577779.db2.gz AHWSDBXHUYMUFT-HNNXBMFYSA-N 1 0 304.438 2.093 10 0 DEAERO C[NH+]1CCC(CCNC(=O)NCc2ccc(Cl)cn2)CC1 ZINC000180901115 402630005 /nfs/dbraw/zinc/63/00/05/402630005.db2.gz HRHKTPWMAKHVRH-UHFFFAOYSA-N 1 0 310.829 2.266 10 0 DEAERO C[C@H](NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCCO1 ZINC000249519423 402632656 /nfs/dbraw/zinc/63/26/56/402632656.db2.gz KJGYDGPDAMBXLG-IMJJTQAJSA-N 1 0 311.470 2.364 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1Cc2ccccc21 ZINC000249686425 402638255 /nfs/dbraw/zinc/63/82/55/402638255.db2.gz IKBFJBSECKREKX-GOEBONIOSA-N 1 0 301.434 2.500 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)OCCCO2 ZINC000172060400 402638659 /nfs/dbraw/zinc/63/86/59/402638659.db2.gz IWEPYBRWNZDQID-UKRRQHHQSA-N 1 0 316.401 2.157 10 0 DEAERO Cc1nc(C[C@H]2CCC[N@H+](C[C@@H](O)c3ccccc3)C2)no1 ZINC000249873937 402643086 /nfs/dbraw/zinc/64/30/86/402643086.db2.gz LBBZJJGHHZJKPL-GDBMZVCRSA-N 1 0 301.390 2.366 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)C1CCS(=O)(=O)CC1 ZINC000250068651 402644555 /nfs/dbraw/zinc/64/45/55/402644555.db2.gz NRDRIDZGHWULJR-BIMQEMHKSA-N 1 0 319.470 2.375 10 0 DEAERO C[C@H]1OCCC[C@@H]1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000191140211 402644900 /nfs/dbraw/zinc/64/49/00/402644900.db2.gz DZNYVETZJSEGQG-PBHICJAKSA-N 1 0 320.433 2.058 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(C3CCC3)n2C)[C@H](C)C1 ZINC000181468559 402646725 /nfs/dbraw/zinc/64/67/25/402646725.db2.gz YPXOSMZGTJLPGQ-UKRRQHHQSA-N 1 0 305.470 2.245 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251433653 402647676 /nfs/dbraw/zinc/64/76/76/402647676.db2.gz BQRQQDJSBBYFLF-BBWFWOEESA-N 1 0 323.481 2.460 10 0 DEAERO Cc1ccc2c(n1)OCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC000181602332 402651383 /nfs/dbraw/zinc/65/13/83/402651383.db2.gz LVDVXWLEXMKUTH-UHFFFAOYSA-N 1 0 311.385 2.491 10 0 DEAERO O[C@@H](CC1CCCC1)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000191281246 402657070 /nfs/dbraw/zinc/65/70/70/402657070.db2.gz IATAZCRMGAABHW-SFHVURJKSA-N 1 0 303.450 2.140 10 0 DEAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000191993016 402703328 /nfs/dbraw/zinc/70/33/28/402703328.db2.gz VSITUUYQNBIKEP-WDEREUQCSA-N 1 0 314.788 2.444 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1ccc(C(C)(C)C)cc1 ZINC000182608696 402703540 /nfs/dbraw/zinc/70/35/40/402703540.db2.gz YMLREEJWZOPWKX-GFCCVEGCSA-N 1 0 303.406 2.187 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192027196 402706751 /nfs/dbraw/zinc/70/67/51/402706751.db2.gz LOMKUCDRMGTYJP-WMZOPIPTSA-N 1 0 306.450 2.150 10 0 DEAERO CCOc1ncccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173779882 402712418 /nfs/dbraw/zinc/71/24/18/402712418.db2.gz AGNWKLBWFRILHJ-HIFRSBDPSA-N 1 0 320.437 2.104 10 0 DEAERO C[C@H]1COCC[C@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000192126444 402713128 /nfs/dbraw/zinc/71/31/28/402713128.db2.gz NHWHSZODJPDUKB-XJKSGUPXSA-N 1 0 316.401 2.077 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(COC)cs1 ZINC000181995240 402663617 /nfs/dbraw/zinc/66/36/17/402663617.db2.gz QYPKBQFKPQVTCU-CHWSQXEVSA-N 1 0 324.450 2.380 10 0 DEAERO Cc1nn(-c2ccccc2)cc1C[NH2+]CC1(C)OCCCO1 ZINC000192249849 402719288 /nfs/dbraw/zinc/71/92/88/402719288.db2.gz HAPRSNIIIFFKKH-UHFFFAOYSA-N 1 0 301.390 2.423 10 0 DEAERO CS[C@H](C(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000172742697 402673145 /nfs/dbraw/zinc/67/31/45/402673145.db2.gz VCDZXELSUPMLFB-HOTGVXAUSA-N 1 0 320.458 2.024 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC/C=C\c1ccccc1 ZINC000255005710 402675189 /nfs/dbraw/zinc/67/51/89/402675189.db2.gz MPFCCUWGXPHMAH-VWTAQGJOSA-N 1 0 317.433 2.110 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)N(C1CC1)C1CCCC1 ZINC000172800859 402675729 /nfs/dbraw/zinc/67/57/29/402675729.db2.gz MNULJDLXLFNOIC-QGZVFWFLSA-N 1 0 305.466 2.090 10 0 DEAERO Clc1ccc(OCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173931988 402720215 /nfs/dbraw/zinc/72/02/15/402720215.db2.gz AIYDJBNDIAHLOJ-OAHLLOKOSA-N 1 0 310.825 2.125 10 0 DEAERO CC[C@H]1CN(CCCc2ccccc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000182441094 402690111 /nfs/dbraw/zinc/69/01/11/402690111.db2.gz RJNVQVSKRYUOEF-AEFFLSMTSA-N 1 0 320.477 2.405 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCOc2ccccc2)CC[N@@H+]1C ZINC000173366471 402694413 /nfs/dbraw/zinc/69/44/13/402694413.db2.gz PAEAGZFPTCVBOD-CABCVRRESA-N 1 0 305.422 2.190 10 0 DEAERO Cc1cccc2c1OCC[C@H]2NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000191875865 402696036 /nfs/dbraw/zinc/69/60/36/402696036.db2.gz ALLPDBUQQSVTIZ-GDBMZVCRSA-N 1 0 317.433 2.412 10 0 DEAERO Cc1cccc(C[N@@H+]2CCC[C@@H](CO)CCNC(=O)CC2)c1 ZINC000257175355 402700104 /nfs/dbraw/zinc/70/01/04/402700104.db2.gz ATURNEWFVOAOKR-MRXNPFEDSA-N 1 0 304.434 2.096 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)o1 ZINC000182598795 402702328 /nfs/dbraw/zinc/70/23/28/402702328.db2.gz RYYHITVTHWBWDF-GFCCVEGCSA-N 1 0 305.378 2.103 10 0 DEAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000191992996 402703035 /nfs/dbraw/zinc/70/30/35/402703035.db2.gz VSITUUYQNBIKEP-MNOVXSKESA-N 1 0 314.788 2.444 10 0 DEAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000182915921 402726784 /nfs/dbraw/zinc/72/67/84/402726784.db2.gz LPBIBPYNNYYBLA-SMDDNHRTSA-N 1 0 319.792 2.385 10 0 DEAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000182915895 402726893 /nfs/dbraw/zinc/72/68/93/402726893.db2.gz LPBIBPYNNYYBLA-RISCZKNCSA-N 1 0 319.792 2.385 10 0 DEAERO CC(C)c1cnc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)s1 ZINC000192395225 402727026 /nfs/dbraw/zinc/72/70/26/402727026.db2.gz PLXXRZRUVXSWPP-NSHDSACASA-N 1 0 312.439 2.061 10 0 DEAERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000182921189 402727383 /nfs/dbraw/zinc/72/73/83/402727383.db2.gz LNZTUOOFDLUHGM-CXAGYDPISA-N 1 0 314.385 2.345 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000174129019 402728074 /nfs/dbraw/zinc/72/80/74/402728074.db2.gz UBGMHNIKVARSIU-KGLIPLIRSA-N 1 0 322.478 2.055 10 0 DEAERO CC[S@](=O)[C@H]1CCC[C@H](NC(=O)CCCCCC[NH3+])C1 ZINC000262646121 402729121 /nfs/dbraw/zinc/72/91/21/402729121.db2.gz USLIMPOIKMNSST-YRVVQQKDSA-N 1 0 302.484 2.092 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000262865052 402735458 /nfs/dbraw/zinc/73/54/58/402735458.db2.gz UMHALQADVGKZFG-QMTHXVAHSA-N 1 0 306.793 2.230 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(CCSCc2ccccc2)CC1 ZINC000192604843 402739804 /nfs/dbraw/zinc/73/98/04/402739804.db2.gz XKSVCAYUIQRKGD-QGZVFWFLSA-N 1 0 308.491 2.308 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1nccn1C ZINC000183114433 402740237 /nfs/dbraw/zinc/74/02/37/402740237.db2.gz YJGZFCRGRSKLGC-RYUDHWBXSA-N 1 0 305.813 2.398 10 0 DEAERO C[C@@H](CCNC(=O)[C@@H]1CCCc2n[nH]cc21)[NH+]1CCCCC1 ZINC000183117961 402740468 /nfs/dbraw/zinc/74/04/68/402740468.db2.gz LYHBBHIGPYAJBT-UONOGXRCSA-N 1 0 304.438 2.210 10 0 DEAERO O=C(Nc1cnn(CC2CC2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000174449392 402741693 /nfs/dbraw/zinc/74/16/93/402741693.db2.gz UYMXAINRAPWLNK-MRXNPFEDSA-N 1 0 317.437 2.385 10 0 DEAERO C[C@@H](CCNC(=O)[C@H]1CCCn2ccnc21)[NH+]1CCCCC1 ZINC000183130609 402741799 /nfs/dbraw/zinc/74/17/99/402741799.db2.gz ZIPOSDBWQJGDIR-GJZGRUSLSA-N 1 0 304.438 2.141 10 0 DEAERO O=C(Cc1ccccc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000193978362 402780881 /nfs/dbraw/zinc/78/08/81/402780881.db2.gz IUEIMEGEMRXTKU-UHFFFAOYSA-N 1 0 309.413 2.405 10 0 DEAERO CCCOc1ccc(CNC(=O)C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000183138621 402742274 /nfs/dbraw/zinc/74/22/74/402742274.db2.gz MDYGCSMXTCAVSD-RHSMWYFYSA-N 1 0 320.433 2.249 10 0 DEAERO CC[C@@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1nccn1C ZINC000183220797 402748568 /nfs/dbraw/zinc/74/85/68/402748568.db2.gz ITNJWVIGUZSMRA-QWHCGFSZSA-N 1 0 302.426 2.191 10 0 DEAERO COc1cccc([C@@H]2[C@@H](NC(=O)CSC)CC[N@@H+]2C2CC2)c1 ZINC000183250677 402750412 /nfs/dbraw/zinc/75/04/12/402750412.db2.gz XEEGNHVPJHJBKB-DOTOQJQBSA-N 1 0 320.458 2.452 10 0 DEAERO Cc1ccc(SCc2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263265592 402751956 /nfs/dbraw/zinc/75/19/56/402751956.db2.gz RLWMEASHINFMFV-ZDUSSCGKSA-N 1 0 304.419 2.246 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(OCC3CC3)cc2)n1 ZINC000263276844 402753190 /nfs/dbraw/zinc/75/31/90/402753190.db2.gz SYHZFMJDWPKRBS-HNNXBMFYSA-N 1 0 314.389 2.102 10 0 DEAERO COCC[N@@H+]1CCN(c2ccc3cc(OC)ccc3n2)C[C@@H]1C ZINC000174735235 402754716 /nfs/dbraw/zinc/75/47/16/402754716.db2.gz PCSMTYNIHFRNCJ-AWEZNQCLSA-N 1 0 315.417 2.400 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H](c3nccs3)C2)CC1 ZINC000174768336 402756143 /nfs/dbraw/zinc/75/61/43/402756143.db2.gz QZPHOWNYKQRUSW-CQSZACIVSA-N 1 0 323.462 2.163 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2ccc3ccccc3c2)n1 ZINC000263305536 402756880 /nfs/dbraw/zinc/75/68/80/402756880.db2.gz XUIFSHNVRFXQLO-MRXNPFEDSA-N 1 0 308.385 2.390 10 0 DEAERO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000263314586 402757913 /nfs/dbraw/zinc/75/79/13/402757913.db2.gz ZGXDMETYWXQNEY-RDTXWAMCSA-N 1 0 313.401 2.464 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2c(C3CC3)nc3sccn23)CCO1 ZINC000183399217 402763264 /nfs/dbraw/zinc/76/32/64/402763264.db2.gz AQUYQGPCNSPNNT-CYBMUJFWSA-N 1 0 320.462 2.036 10 0 DEAERO Cc1cnc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)s1 ZINC000174922568 402763560 /nfs/dbraw/zinc/76/35/60/402763560.db2.gz ZQXZPQOHKQCTLA-OLZOCXBDSA-N 1 0 306.435 2.168 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000193314002 402770144 /nfs/dbraw/zinc/77/01/44/402770144.db2.gz OKZYKEAHDXURLA-GFCCVEGCSA-N 1 0 313.405 2.347 10 0 DEAERO COC(=O)c1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000175000366 402770200 /nfs/dbraw/zinc/77/02/00/402770200.db2.gz GWXVOZNAQUFPQQ-IUODEOHRSA-N 1 0 319.405 2.420 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)noc1C ZINC000175013681 402771534 /nfs/dbraw/zinc/77/15/34/402771534.db2.gz DFWOCHCGOSZAEB-LSDHHAIUSA-N 1 0 305.422 2.309 10 0 DEAERO O=C(NCCOC1CCCCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175056818 402775333 /nfs/dbraw/zinc/77/53/33/402775333.db2.gz KYAKFUHIEIYCKI-INIZCTEOSA-N 1 0 321.465 2.382 10 0 DEAERO CCc1ccc([C@@H](CN2CCOCC2)[NH2+][C@H]2CCCOC2)cc1 ZINC000183563507 402776290 /nfs/dbraw/zinc/77/62/90/402776290.db2.gz XNIFQARHTAVSFC-RBUKOAKNSA-N 1 0 318.461 2.391 10 0 DEAERO Cc1ccc([C@@H](C[NH2+]Cc2cocn2)N2CCOCC2)s1 ZINC000192309356 402722083 /nfs/dbraw/zinc/72/20/83/402722083.db2.gz SSGPVHHCAWEUKK-CQSZACIVSA-N 1 0 307.419 2.208 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(N3CCCC3)nc2)C1 ZINC000194340739 402792749 /nfs/dbraw/zinc/79/27/49/402792749.db2.gz UJQBUQAGVSMXHH-HNNXBMFYSA-N 1 0 317.437 2.288 10 0 DEAERO COc1cccc([C@@H](C)C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000194425496 402796736 /nfs/dbraw/zinc/79/67/36/402796736.db2.gz BJKVEAVVZDLZBT-OAHLLOKOSA-N 1 0 320.433 2.027 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183787753 402797479 /nfs/dbraw/zinc/79/74/79/402797479.db2.gz IJVMQYWRORYRIA-HOTGVXAUSA-N 1 0 318.465 2.287 10 0 DEAERO COc1ccc(SCC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000194506988 402801015 /nfs/dbraw/zinc/80/10/15/402801015.db2.gz NMRISSSWEJWTKD-UHFFFAOYSA-N 1 0 320.458 2.484 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)c(C)c1 ZINC000175398738 402803196 /nfs/dbraw/zinc/80/31/96/402803196.db2.gz AHNNYRBSJWOTMC-CYBMUJFWSA-N 1 0 314.426 2.239 10 0 DEAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)CCC3CCC3)C2)CC1 ZINC000175407105 402804345 /nfs/dbraw/zinc/80/43/45/402804345.db2.gz LHAGNSSOWBTZBC-QGZVFWFLSA-N 1 0 307.482 2.195 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)nn(CC(C)C)c2C)C1 ZINC000194641783 402807156 /nfs/dbraw/zinc/80/71/56/402807156.db2.gz LYOCYBAEVDSNMM-INIZCTEOSA-N 1 0 320.481 2.299 10 0 DEAERO CCN1CC[NH+](CCCCNC(=O)N2C[C@H](C)CC[C@@H]2C)CC1 ZINC000175531874 402815346 /nfs/dbraw/zinc/81/53/46/402815346.db2.gz QUPZZQKSDXSOIF-SJORKVTESA-N 1 0 324.513 2.234 10 0 DEAERO COc1ccnc(NC2CC[NH+](C[C@@H]3CCC=CO3)CC2)n1 ZINC000194841314 402818175 /nfs/dbraw/zinc/81/81/75/402818175.db2.gz RBQFPRFNIPRIJT-AWEZNQCLSA-N 1 0 304.394 2.054 10 0 DEAERO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCO1 ZINC000175632542 402822934 /nfs/dbraw/zinc/82/29/34/402822934.db2.gz NFQQZLXEJUHWHQ-BBRMVZONSA-N 1 0 309.454 2.260 10 0 DEAERO CC(C)C[NH+]1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000194975316 402825161 /nfs/dbraw/zinc/82/51/61/402825161.db2.gz MIXRORUWLSDYQB-UHFFFAOYSA-N 1 0 319.474 2.374 10 0 DEAERO O=C(/C=C/c1cnc2ccccc2n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195096926 402831752 /nfs/dbraw/zinc/83/17/52/402831752.db2.gz YOBKWMJESSMUPP-FDMDGMSGSA-N 1 0 322.412 2.340 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)NCc1ccc(C(=O)OC)cc1 ZINC000175151761 402783403 /nfs/dbraw/zinc/78/34/03/402783403.db2.gz UMJOJZHXGNNOLF-UHFFFAOYSA-N 1 0 321.421 2.004 10 0 DEAERO CC1CC[NH+](CCCCNC(=O)c2ncncc2Cl)CC1 ZINC000175147166 402783609 /nfs/dbraw/zinc/78/36/09/402783609.db2.gz LSADCMKEMPGQMR-UHFFFAOYSA-N 1 0 310.829 2.372 10 0 DEAERO CNC(=O)[C@H]([NH2+]Cc1sc(C)nc1C(F)(F)F)C(C)C ZINC000183643945 402784765 /nfs/dbraw/zinc/78/47/65/402784765.db2.gz VWGKSWJITMBRAK-SECBINFHSA-N 1 0 309.357 2.331 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(O)c(F)c2)CC[N@@H+]1C ZINC000175191557 402786539 /nfs/dbraw/zinc/78/65/39/402786539.db2.gz YSWATNWQTYDCEG-WCQYABFASA-N 1 0 309.385 2.155 10 0 DEAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505758 402848319 /nfs/dbraw/zinc/84/83/19/402848319.db2.gz PRGSJUVWYVGTQT-OKILXGFUSA-N 1 0 304.438 2.379 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(c2ncnc3cc(Cl)ccc32)C[C@@H]1C ZINC000264353951 402870737 /nfs/dbraw/zinc/87/07/37/402870737.db2.gz STGBAFBBYNQXQY-NWDGAFQWSA-N 1 0 320.824 2.175 10 0 DEAERO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O)NCc1ccccc1 ZINC000281310468 403063410 /nfs/dbraw/zinc/06/34/10/403063410.db2.gz HZQSIGBWJQPRFL-KZNAEPCWSA-N 1 0 316.445 2.318 10 0 DEAERO COc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1 ZINC000268344807 403075284 /nfs/dbraw/zinc/07/52/84/403075284.db2.gz HISTYSPYGCULTO-DGCLKSJQSA-N 1 0 306.410 2.345 10 0 DEAERO Cn1cccc1C[NH2+][C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 ZINC000276288009 403161012 /nfs/dbraw/zinc/16/10/12/403161012.db2.gz HCETXFTWYCNZJL-LSDHHAIUSA-N 1 0 317.437 2.118 10 0 DEAERO Cc1cc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2C)c(C)o1 ZINC000283061884 403167628 /nfs/dbraw/zinc/16/76/28/403167628.db2.gz GDPFROMEQAVOCJ-UHFFFAOYSA-N 1 0 315.421 2.366 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncnc2c1ncn2C1CC1 ZINC000292298757 403348650 /nfs/dbraw/zinc/34/86/50/403348650.db2.gz ABYUWIOTXHDYRJ-GXTWGEPZSA-N 1 0 312.421 2.224 10 0 DEAERO c1c(C[NH2+][C@H]2CCCN(c3ccccc3)C2)nc2ncccn12 ZINC000298530139 403405794 /nfs/dbraw/zinc/40/57/94/403405794.db2.gz SAHQOXCMLGMXBY-HNNXBMFYSA-N 1 0 307.401 2.488 10 0 DEAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC(=O)N1CCOCC1 ZINC000345706809 403446233 /nfs/dbraw/zinc/44/62/33/403446233.db2.gz MLOSRBXRNXUCQU-JLHYYAGUSA-N 1 0 308.809 2.192 10 0 DEAERO CC[N@@H+]1CCC[C@@H](Nc2nc(C(F)(F)F)nc3nc[nH]c32)C1 ZINC000301102754 403589851 /nfs/dbraw/zinc/58/98/51/403589851.db2.gz SAKYNGVXPQTTHR-MRVPVSSYSA-N 1 0 314.315 2.268 10 0 DEAERO CCc1cc(N[C@H]2CC[N@@H+](C3CCCC3)C2)n2ncnc2n1 ZINC000301203191 403600778 /nfs/dbraw/zinc/60/07/78/403600778.db2.gz RBADBDVGFGSFJQ-ZDUSSCGKSA-N 1 0 300.410 2.116 10 0 DEAERO Cn1cncc1C[NH2+][C@H]1CCO[C@@H]1c1nccn1-c1ccccc1 ZINC000343398268 403570325 /nfs/dbraw/zinc/57/03/25/403570325.db2.gz JLQZUPIDUHMRCD-IRXDYDNUSA-N 1 0 323.400 2.226 10 0 DEAERO CCCCc1ncc(C[N@@H+]2CC[C@]3(OC)CC[C@H](O)C[C@H]23)[nH]1 ZINC000299787551 403576141 /nfs/dbraw/zinc/57/61/41/403576141.db2.gz OZLHZCBYWGIGEF-YQQAZPJKSA-N 1 0 307.438 2.257 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000332875898 403629229 /nfs/dbraw/zinc/62/92/29/403629229.db2.gz HIIJJMIYBOHQHX-OCCSQVGLSA-N 1 0 319.453 2.106 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ncc(C2CCOCC2)s1 ZINC000333096255 403665586 /nfs/dbraw/zinc/66/55/86/403665586.db2.gz AGECPFRODUQJPI-JQWIXIFHSA-N 1 0 324.450 2.157 10 0 DEAERO O=C(Nc1ccccc1N1CCCC1=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333159165 403681167 /nfs/dbraw/zinc/68/11/67/403681167.db2.gz LPCDYDRYXGDUGA-CYBMUJFWSA-N 1 0 316.405 2.077 10 0 DEAERO CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000333191672 403690192 /nfs/dbraw/zinc/69/01/92/403690192.db2.gz AAWHGDLWIMJTLX-ILXRZTDVSA-N 1 0 319.453 2.138 10 0 DEAERO C[C@@H](O)C[C@H]1CCCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333210675 403695781 /nfs/dbraw/zinc/69/57/81/403695781.db2.gz PRJXMLKSQXGWCB-AKBNIOSXSA-N 1 0 323.481 2.337 10 0 DEAERO C[C@@H](O)C[C@@H]1CCCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333210679 403695793 /nfs/dbraw/zinc/69/57/93/403695793.db2.gz PRJXMLKSQXGWCB-ZCRFILTFSA-N 1 0 323.481 2.337 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H](c3cccnc3)C3CC3)C[C@H]21 ZINC000333496873 403766386 /nfs/dbraw/zinc/76/63/86/403766386.db2.gz CXMDICACEUVSSL-VQHPVUNQSA-N 1 0 314.433 2.302 10 0 DEAERO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)C2)nn1 ZINC000333324669 403724768 /nfs/dbraw/zinc/72/47/68/403724768.db2.gz QAOQSRUTWBGAQD-WTTBNOFXSA-N 1 0 316.449 2.157 10 0 DEAERO CC[N@H+](C)[C@H]1CCN(c2ncnc3cc(F)c(OC)cc32)C1 ZINC000302833070 403732052 /nfs/dbraw/zinc/73/20/52/403732052.db2.gz RXRDOASGEXWQMK-NSHDSACASA-N 1 0 304.369 2.308 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc3cc[nH]c(=O)c3c2)C1 ZINC000333359424 403733678 /nfs/dbraw/zinc/73/36/78/403733678.db2.gz GXUUMPVEHQBSFY-ZDUSSCGKSA-N 1 0 300.362 2.108 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)C12CCCC2 ZINC000333418714 403747739 /nfs/dbraw/zinc/74/77/39/403747739.db2.gz SFFDRQWSKNFDDI-QLFBSQMISA-N 1 0 309.454 2.166 10 0 DEAERO C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000333720835 403831841 /nfs/dbraw/zinc/83/18/41/403831841.db2.gz GOOQHEBKIAPULO-RCBQFDQVSA-N 1 0 321.396 2.049 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN2CCOCC2)C12CCCC2 ZINC000245955742 286390018 /nfs/dbraw/zinc/39/00/18/286390018.db2.gz XFZALGYTIBAMEF-YESZJQIVSA-N 1 0 310.482 2.282 10 0 DEAERO CC(=O)N1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000361833944 403895023 /nfs/dbraw/zinc/89/50/23/403895023.db2.gz QFBCHQOBAZQPOX-OAHLLOKOSA-N 1 0 312.417 2.233 10 0 DEAERO CCc1cnccc1[C@@H](C)NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333757561 403848588 /nfs/dbraw/zinc/84/85/88/403848588.db2.gz ABLJVFJZAUGPJR-CYBMUJFWSA-N 1 0 302.422 2.243 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nnnn3CC1)CCC2 ZINC000333759755 403849919 /nfs/dbraw/zinc/84/99/19/403849919.db2.gz PABDHMMNOYGGTF-BBRMVZONSA-N 1 0 313.405 2.054 10 0 DEAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000333764958 403851640 /nfs/dbraw/zinc/85/16/40/403851640.db2.gz WMJHOENWQRGQAI-UYHMYPTGSA-N 1 0 304.438 2.154 10 0 DEAERO [NH3+]C[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000333842615 403880100 /nfs/dbraw/zinc/88/01/00/403880100.db2.gz VLQCLPDZONKDIX-OPQQBVKSSA-N 1 0 311.788 2.468 10 0 DEAERO C[NH2+][C@H](C)c1cn(Cc2csc(Br)c2)nn1 ZINC000309314337 403960327 /nfs/dbraw/zinc/96/03/27/403960327.db2.gz NEZNCPSVOWWCAT-SSDOTTSWSA-N 1 0 301.213 2.431 10 0 DEAERO Cc1nc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)o1 ZINC000333958291 403905750 /nfs/dbraw/zinc/90/57/50/403905750.db2.gz IWYWEOQAMDFHMX-HUUCEWRRSA-N 1 0 311.385 2.332 10 0 DEAERO CCC[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCC1 ZINC000324839081 404102200 /nfs/dbraw/zinc/10/22/00/404102200.db2.gz BWYYAMYFOFBQBF-ZFWWWQNUSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@H]1[C@@H](O)CCCN1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000296102333 404095319 /nfs/dbraw/zinc/09/53/19/404095319.db2.gz HXINWIWAXKEROH-ZANVPECISA-N 1 0 300.761 2.263 10 0 DEAERO CC(=O)c1ccc(NC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000320489128 404067164 /nfs/dbraw/zinc/06/71/64/404067164.db2.gz CHOOGMNDFWAXEM-MRXNPFEDSA-N 1 0 301.390 2.447 10 0 DEAERO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccs2)C1 ZINC000328551161 404109373 /nfs/dbraw/zinc/10/93/73/404109373.db2.gz TXBVBIRFWJWIJG-LLVKDONJSA-N 1 0 308.428 2.074 10 0 DEAERO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC12CCC2 ZINC000329157357 404248765 /nfs/dbraw/zinc/24/87/65/404248765.db2.gz WFSBXTRYFVUDGS-ZIAGYGMSSA-N 1 0 307.438 2.272 10 0 DEAERO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2nnc3ccccn32)C1 ZINC000363923429 404253584 /nfs/dbraw/zinc/25/35/84/404253584.db2.gz GUKAJKACEGJKLP-KGLIPLIRSA-N 1 0 310.405 2.279 10 0 DEAERO c1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)n(-c2ccccc2)n1 ZINC000363941397 404261343 /nfs/dbraw/zinc/26/13/43/404261343.db2.gz WMQCEIVRQTWTQS-QAPCUYQASA-N 1 0 313.401 2.300 10 0 DEAERO c1nc(-c2ccncc2)sc1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000344642605 404280453 /nfs/dbraw/zinc/28/04/53/404280453.db2.gz RYZUCXVIKXJXQX-CQSZACIVSA-N 1 0 319.430 2.490 10 0 DEAERO Cc1nc([C@@H]2CCCN2C(=O)[C@H](C)[NH+]2CCCCCC2)no1 ZINC000329416626 404331498 /nfs/dbraw/zinc/33/14/98/404331498.db2.gz ZGRDBTCWEVIDKQ-JSGCOSHPSA-N 1 0 306.410 2.306 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C12CCOCC2 ZINC000329484995 404351295 /nfs/dbraw/zinc/35/12/95/404351295.db2.gz SMXPMJRLKVNPRK-VVLHAWIVSA-N 1 0 311.466 2.349 10 0 DEAERO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)cn1 ZINC000370013040 404304918 /nfs/dbraw/zinc/30/49/18/404304918.db2.gz VPHMIQXCVSHTMV-HNNXBMFYSA-N 1 0 313.401 2.256 10 0 DEAERO CC(C)[C@H](C(=O)N1CCC[C@@H](c2nnc[nH]2)C1)[NH+]1CCCCC1 ZINC000364090273 404315754 /nfs/dbraw/zinc/31/57/54/404315754.db2.gz QXGRTPPQLAWZIW-HUUCEWRRSA-N 1 0 319.453 2.021 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)nc(C)n1 ZINC000329664039 404414710 /nfs/dbraw/zinc/41/47/10/404414710.db2.gz JSQNGZOWMSTIDU-WBVHZDCISA-N 1 0 310.401 2.269 10 0 DEAERO C[C@H]1CCN(c2cncc3nncn32)CC[N@@H+]1Cc1ccccc1 ZINC000364683582 404500185 /nfs/dbraw/zinc/50/01/85/404500185.db2.gz SWKFSRVAVGKXGW-HNNXBMFYSA-N 1 0 322.416 2.225 10 0 DEAERO O=C(N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1(O)CCCC1 ZINC000371570974 404465881 /nfs/dbraw/zinc/46/58/81/404465881.db2.gz JPEHRDDLNMDQPS-MRXNPFEDSA-N 1 0 308.466 2.406 10 0 DEAERO c1nnn(Cc2ccccc2)c1CNCC[NH+]1CCCCCC1 ZINC000291944446 404592223 /nfs/dbraw/zinc/59/22/23/404592223.db2.gz NODXWAUPXJXJMB-UHFFFAOYSA-N 1 0 313.449 2.292 10 0 DEAERO c1ccc(C[N@@H+]2CC[C@H](N3CCO[C@@]4(CCCOC4)C3)C2)cc1 ZINC000297285852 404533838 /nfs/dbraw/zinc/53/38/38/404533838.db2.gz ACTSGTHRVZVUGL-OALUTQOASA-N 1 0 316.445 2.142 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000291895442 404570014 /nfs/dbraw/zinc/57/00/14/404570014.db2.gz IKQIDISSUOPOGG-KURKYZTESA-N 1 0 312.417 2.374 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373924453 404641169 /nfs/dbraw/zinc/64/11/69/404641169.db2.gz MCMFIHLHDWTVBE-STQMWFEESA-N 1 0 305.426 2.292 10 0 DEAERO CCn1cc(CC[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cn1 ZINC000375701871 404730647 /nfs/dbraw/zinc/73/06/47/404730647.db2.gz PXXDODSBDGOTIV-AWEZNQCLSA-N 1 0 301.394 2.195 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2occ3c2CCOC3)CC1 ZINC000375840756 404758313 /nfs/dbraw/zinc/75/83/13/404758313.db2.gz PXHINHIBRBWYLQ-UHFFFAOYSA-N 1 0 306.406 2.204 10 0 DEAERO CN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365754414 404716017 /nfs/dbraw/zinc/71/60/17/404716017.db2.gz VHBMMXIKUIURTK-BDXSIMOUSA-N 1 0 319.493 2.050 10 0 DEAERO CC(C)n1cc([C@@H](C)NC(=O)c2conc2C(C)(C)[NH3+])cn1 ZINC000568236832 292324788 /nfs/dbraw/zinc/32/47/88/292324788.db2.gz VXLFGUOKXYSYMA-SNVBAGLBSA-N 1 0 305.382 2.137 10 0 DEAERO CC[C@]1(C(=O)NC[C@@H](C)COCc2ccccc2)CC[NH2+]C1 ZINC000366458252 404794723 /nfs/dbraw/zinc/79/47/23/404794723.db2.gz BDVZGVMPXIDXJL-QAPCUYQASA-N 1 0 304.434 2.345 10 0 DEAERO CC(=O)c1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000415374977 404855109 /nfs/dbraw/zinc/85/51/09/404855109.db2.gz KYRBDAFSJHJAMC-CYBMUJFWSA-N 1 0 311.332 2.316 10 0 DEAERO Cn1nccc1[C@H]1CCCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000366868445 404861181 /nfs/dbraw/zinc/86/11/81/404861181.db2.gz MCFTVNMUCVHOOB-MRXNPFEDSA-N 1 0 304.438 2.396 10 0 DEAERO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000366868443 404861277 /nfs/dbraw/zinc/86/12/77/404861277.db2.gz MCFTVNMUCVHOOB-INIZCTEOSA-N 1 0 304.438 2.396 10 0 DEAERO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000361270244 405001586 /nfs/dbraw/zinc/00/15/86/405001586.db2.gz DKYKNLUIOMORJR-GTJPDFRWSA-N 1 0 311.447 2.499 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)Cc2cccc(F)c2F)C1 ZINC000379288513 405026099 /nfs/dbraw/zinc/02/60/99/405026099.db2.gz UJMMDEJSPCMXQT-MWLCHTKSSA-N 1 0 322.277 2.388 10 0 DEAERO CC(C)C[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361209611 404974810 /nfs/dbraw/zinc/97/48/10/404974810.db2.gz HFLCSJJNTAWFNY-APWZRJJASA-N 1 0 318.461 2.422 10 0 DEAERO CC1(C)C[C@H]1NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000435394410 404977132 /nfs/dbraw/zinc/97/71/32/404977132.db2.gz NGKWNYSOCAUQPO-OAHLLOKOSA-N 1 0 323.481 2.367 10 0 DEAERO Cc1cc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)on1 ZINC000390702589 405047732 /nfs/dbraw/zinc/04/77/32/405047732.db2.gz FJJGQNSVBHFOSM-GOSISDBHSA-N 1 0 315.417 2.364 10 0 DEAERO CC1CC[NH+](CC(=O)NCC[C@H]2COc3ccccc3O2)CC1 ZINC000568344301 292332267 /nfs/dbraw/zinc/33/22/67/292332267.db2.gz ZFFQSRGJSJVMFJ-HNNXBMFYSA-N 1 0 318.417 2.065 10 0 DEAERO Cc1cc(=O)[nH]c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c1 ZINC000408020184 405090544 /nfs/dbraw/zinc/09/05/44/405090544.db2.gz BWDMKRXVECYDHT-UHFFFAOYSA-N 1 0 303.406 2.186 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)C1 ZINC000408019156 405090936 /nfs/dbraw/zinc/09/09/36/405090936.db2.gz FDKCIARMLAWILD-LBPRGKRZSA-N 1 0 303.406 2.056 10 0 DEAERO COC(=O)[C@@H](C)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000367833761 405167308 /nfs/dbraw/zinc/16/73/08/405167308.db2.gz UPPMSVFRFLELEA-OIISXLGYSA-N 1 0 302.418 2.287 10 0 DEAERO COCCN1CC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000361673626 405193384 /nfs/dbraw/zinc/19/33/84/405193384.db2.gz LQHASPZMTMTVON-AOCRQIFASA-N 1 0 304.434 2.045 10 0 DEAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ncc[nH]c3=O)C2)C[C@@H](C)C1 ZINC000408394923 405196195 /nfs/dbraw/zinc/19/61/95/405196195.db2.gz LCJWCIMVQOMCRH-BARDWOONSA-N 1 0 304.438 2.153 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000408405274 405196917 /nfs/dbraw/zinc/19/69/17/405196917.db2.gz CIRPBMBJIFLYIA-LBPRGKRZSA-N 1 0 318.417 2.129 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1C(N)=O ZINC000408473954 405215795 /nfs/dbraw/zinc/21/57/95/405215795.db2.gz VGOVYEWFNCUBMY-PSASIEDQSA-N 1 0 304.287 2.398 10 0 DEAERO FC(F)(F)C1CCC(C[N@@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000368399442 405239505 /nfs/dbraw/zinc/23/95/05/405239505.db2.gz JSXNGSRGBWEJNN-RUXDESIVSA-N 1 0 306.372 2.372 10 0 DEAERO c1nc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000420378020 405337548 /nfs/dbraw/zinc/33/75/48/405337548.db2.gz AWZBFRCBHPTAAF-NVXWUHKLSA-N 1 0 311.433 2.231 10 0 DEAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cn(C)nc1C(C)C ZINC000455359862 405400850 /nfs/dbraw/zinc/40/08/50/405400850.db2.gz UBEQQRYQWPJTLM-CYBMUJFWSA-N 1 0 307.442 2.492 10 0 DEAERO OCC[C@@]1([NH2+]Cc2ncc(-c3ccccc3)s2)CCOC1 ZINC000447073215 405401740 /nfs/dbraw/zinc/40/17/40/405401740.db2.gz SJBHFCKGNYDLTD-MRXNPFEDSA-N 1 0 304.415 2.441 10 0 DEAERO COc1cccc(C2=CCN(C(=O)NC[C@H](C)[NH+](C)C)CC2)c1 ZINC000455443427 405410466 /nfs/dbraw/zinc/41/04/66/405410466.db2.gz QBXGDPLCSCMPEF-AWEZNQCLSA-N 1 0 317.433 2.444 10 0 DEAERO CCC(F)(F)C(C)(C)CNC(=O)c1csc(CC[NH3+])n1 ZINC000638599013 405564975 /nfs/dbraw/zinc/56/49/75/405564975.db2.gz VXSUQFKSJPXSHM-UHFFFAOYSA-N 1 0 305.394 2.446 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCN2CCCO)cc1 ZINC000449389807 405539732 /nfs/dbraw/zinc/53/97/32/405539732.db2.gz UCOVVYKTVAAZGR-RDJZCZTQSA-N 1 0 306.450 2.063 10 0 DEAERO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000449396891 405546397 /nfs/dbraw/zinc/54/63/97/405546397.db2.gz NCRUBDVLKZLPQC-NVXWUHKLSA-N 1 0 306.450 2.063 10 0 DEAERO CCc1noc(C)c1CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000458810917 405604131 /nfs/dbraw/zinc/60/41/31/405604131.db2.gz AUNNYNGTUKSFOD-CYBMUJFWSA-N 1 0 308.426 2.170 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)c2ccc(Br)s2)C[NH2+]1 ZINC000638659161 405600139 /nfs/dbraw/zinc/60/01/39/405600139.db2.gz ZAXPXRQENDADOY-SFYZADRCSA-N 1 0 303.225 2.381 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](OC)C2CC2)CC1 ZINC000458865863 405633472 /nfs/dbraw/zinc/63/34/72/405633472.db2.gz UVGIMABHIKNCPI-INIZCTEOSA-N 1 0 311.470 2.175 10 0 DEAERO c1ccc([C@H]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)O2)cc1 ZINC000423119717 405701793 /nfs/dbraw/zinc/70/17/93/405701793.db2.gz DINSVBQGIDZOLM-YRXWBPOGSA-N 1 0 316.445 2.263 10 0 DEAERO [NH3+][C@H]1CCCCCN(C(=O)c2ccc(Br)o2)C1 ZINC000638824719 405695672 /nfs/dbraw/zinc/69/56/72/405695672.db2.gz VEPICQSWMNXRIS-VIFPVBQESA-N 1 0 301.184 2.386 10 0 DEAERO C[C@H]1CN(C(=O)Cc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000638888327 405741713 /nfs/dbraw/zinc/74/17/13/405741713.db2.gz XOZBXHDKLWCYMH-JQWIXIFHSA-N 1 0 311.223 2.045 10 0 DEAERO Cc1ccc(Br)cc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638914466 405756114 /nfs/dbraw/zinc/75/61/14/405756114.db2.gz OWDUTUBIFAYUAL-MNOVXSKESA-N 1 0 311.223 2.424 10 0 DEAERO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2CCn2ccnc2)cc1 ZINC000583619774 405776436 /nfs/dbraw/zinc/77/64/36/405776436.db2.gz FYJNYSVVNRAWRH-QZTJIDSGSA-N 1 0 315.417 2.264 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CC[C@@H](C)O2)CC1 ZINC000459171138 405781768 /nfs/dbraw/zinc/78/17/68/405781768.db2.gz PSLWLQZMNQLALM-GDBMZVCRSA-N 1 0 311.470 2.317 10 0 DEAERO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000495039264 405804804 /nfs/dbraw/zinc/80/48/04/405804804.db2.gz PQRFRJABMUNHDY-RVKKMQEKSA-N 1 0 315.461 2.489 10 0 DEAERO O=C(NC1CCCCC1)N1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000495061481 405809266 /nfs/dbraw/zinc/80/92/66/405809266.db2.gz CPKKNNQCBGWRER-CQSZACIVSA-N 1 0 311.495 2.399 10 0 DEAERO CN(C)c1ccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000459243759 405815673 /nfs/dbraw/zinc/81/56/73/405815673.db2.gz ACEFKRPBKDAJPB-CYBMUJFWSA-N 1 0 305.426 2.001 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NCC1CCC(F)(F)CC1 ZINC000560931992 405879719 /nfs/dbraw/zinc/87/97/19/405879719.db2.gz AIWMMGQMGDPEQN-UHFFFAOYSA-N 1 0 312.364 2.040 10 0 DEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCc1cccc(Br)c1 ZINC000423651959 405894184 /nfs/dbraw/zinc/89/41/84/405894184.db2.gz WOYXGAAQJYDQKK-MFKMUULPSA-N 1 0 311.223 2.330 10 0 DEAERO C[N@@H+]1CCC[C@@H](CCNC(=O)NC2(CCO)CCCCC2)C1 ZINC000459325544 405854732 /nfs/dbraw/zinc/85/47/32/405854732.db2.gz WTXIBWWIELSEDH-HNNXBMFYSA-N 1 0 311.470 2.103 10 0 DEAERO CO[C@]1(C[NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CCOC1 ZINC000639072789 405861256 /nfs/dbraw/zinc/86/12/56/405861256.db2.gz ZTGVQJDRJGVFDV-OALUTQOASA-N 1 0 318.461 2.436 10 0 DEAERO CCOC(=O)c1noc(CN(C)[C@@H](C)Cc2ccc(O)cc2)n1 ZINC000459353875 405866979 /nfs/dbraw/zinc/86/69/79/405866979.db2.gz AGOGEVFGEGLGAX-NSHDSACASA-N 1 0 319.361 2.015 10 0 DEAERO CCOC(=O)c1noc(CN(C)[C@H](C)Cc2ccc(O)cc2)n1 ZINC000459353874 405867603 /nfs/dbraw/zinc/86/76/03/405867603.db2.gz AGOGEVFGEGLGAX-LLVKDONJSA-N 1 0 319.361 2.015 10 0 DEAERO CS(=O)(=O)NCC1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459543043 405949515 /nfs/dbraw/zinc/94/95/15/405949515.db2.gz KQUFGYMOVVYMDT-UHFFFAOYSA-N 1 0 322.474 2.325 10 0 DEAERO COC(=O)C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1cccs1 ZINC000612423277 405917928 /nfs/dbraw/zinc/91/79/28/405917928.db2.gz AQZHRPMZYSJPFP-ZDUSSCGKSA-N 1 0 324.446 2.200 10 0 DEAERO COc1nsc(C[NH2+]CCC2(O)CCC2)c1Br ZINC000639149876 405924238 /nfs/dbraw/zinc/92/42/38/405924238.db2.gz VRTXBZDHEPIRHM-UHFFFAOYSA-N 1 0 321.240 2.309 10 0 DEAERO c1c(C[N@@H+]2CCCC[C@H]2C2CCC2)nnn1C[C@H]1CCOC1 ZINC000639290345 406026074 /nfs/dbraw/zinc/02/60/74/406026074.db2.gz ROGXAJBHFBKUHL-PBHICJAKSA-N 1 0 304.438 2.469 10 0 DEAERO O=C(NCCOCC1CCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000562284080 405975724 /nfs/dbraw/zinc/97/57/24/405975724.db2.gz HMJBPWCVXWJCCL-KRWDZBQOSA-N 1 0 323.481 2.463 10 0 DEAERO CC(=O)[C@](C)(O)C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000450973360 406005921 /nfs/dbraw/zinc/00/59/21/406005921.db2.gz JSISGTDRDDWWQE-CQSZACIVSA-N 1 0 319.323 2.400 10 0 DEAERO C(=C/c1ccccc1)\CN1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639446703 406092137 /nfs/dbraw/zinc/09/21/37/406092137.db2.gz HYCPOESRLLMHQO-WEBJUUICSA-N 1 0 323.444 2.096 10 0 DEAERO OCc1cn([C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)nn1 ZINC000451070933 406038844 /nfs/dbraw/zinc/03/88/44/406038844.db2.gz PZJGYJDPMBKVSK-INIZCTEOSA-N 1 0 320.824 2.303 10 0 DEAERO CO[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(O)cc1 ZINC000515419693 406067916 /nfs/dbraw/zinc/06/79/16/406067916.db2.gz YJTWOTBURMEEMC-UCMJJCQDSA-N 1 0 318.417 2.211 10 0 DEAERO c1cc(C[NH2+]Cc2cc3c(cn2)OCCO3)c2c(c1)COCC2 ZINC000639386916 406076376 /nfs/dbraw/zinc/07/63/76/406076376.db2.gz MWGAVTJMTYFOBM-UHFFFAOYSA-N 1 0 312.369 2.215 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](COC)Cc1ccccc1 ZINC000471696712 406109862 /nfs/dbraw/zinc/10/98/62/406109862.db2.gz JJLYFOCVPICICW-IAGOWNOFSA-N 1 0 304.434 2.235 10 0 DEAERO CC1(C)C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)Cc2ccccc21 ZINC000534668169 406194151 /nfs/dbraw/zinc/19/41/51/406194151.db2.gz MLTDSDIZVCZMCX-IRXDYDNUSA-N 1 0 319.445 2.336 10 0 DEAERO CC[N@@H+]1CCC[C@H](CNCc2c(Br)cnn2C)C1 ZINC000486969730 406194419 /nfs/dbraw/zinc/19/44/19/406194419.db2.gz QAWURSQRMAHSPM-LLVKDONJSA-N 1 0 315.259 2.004 10 0 DEAERO CC[C@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccncc1 ZINC000546567283 406362658 /nfs/dbraw/zinc/36/26/58/406362658.db2.gz YFCFVZPFXBWBEW-INIZCTEOSA-N 1 0 302.422 2.484 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000545844927 406329462 /nfs/dbraw/zinc/32/94/62/406329462.db2.gz RFWWCBGUNHFMHL-HNNXBMFYSA-N 1 0 313.405 2.295 10 0 DEAERO C[C@@H]1[C@H](CO)CC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000488713384 406339839 /nfs/dbraw/zinc/33/98/39/406339839.db2.gz CRTPFXLSNNXNSH-HIFRSBDPSA-N 1 0 301.390 2.372 10 0 DEAERO C[C@H]1[C@@H](CO)CC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000488713383 406340388 /nfs/dbraw/zinc/34/03/88/406340388.db2.gz CRTPFXLSNNXNSH-DZGCQCFKSA-N 1 0 301.390 2.372 10 0 DEAERO CCc1nc(CNC(=O)NCC[N@H+]2CC=C(C)CC2)cs1 ZINC000547272802 406394922 /nfs/dbraw/zinc/39/49/22/406394922.db2.gz HMXKBHTXPWKLIV-UHFFFAOYSA-N 1 0 308.451 2.157 10 0 DEAERO CC(C)OC1CCC([NH2+][C@@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634972789 406379669 /nfs/dbraw/zinc/37/96/69/406379669.db2.gz HVGQPQNBGZNCTE-WLYUNCDWSA-N 1 0 303.468 2.280 10 0 DEAERO C[C@@H]1CCC[C@@H](NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000637919261 406477372 /nfs/dbraw/zinc/47/73/72/406477372.db2.gz RIFCFJOWDJYYJH-DJIMGWMZSA-N 1 0 303.450 2.141 10 0 DEAERO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000525312604 406485204 /nfs/dbraw/zinc/48/52/04/406485204.db2.gz GFNADCAUYSGQBX-FOLVSLTJSA-N 1 0 324.465 2.155 10 0 DEAERO C[C@@](O)(C[NH2+][C@@H]1CCOC2(CCSCC2)C1)C(F)(F)F ZINC000570955564 406461472 /nfs/dbraw/zinc/46/14/72/406461472.db2.gz DALHYHMATHEDMN-GHMZBOCLSA-N 1 0 313.385 2.334 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637884562 406462465 /nfs/dbraw/zinc/46/24/65/406462465.db2.gz OGOVQLYTZFHLKM-AWEZNQCLSA-N 1 0 317.216 2.330 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCC1([NH+](C)C)CCC1)CC2 ZINC000527004307 406569058 /nfs/dbraw/zinc/56/90/58/406569058.db2.gz KYYUOCNAVKUZFV-ZDUSSCGKSA-N 1 0 318.465 2.239 10 0 DEAERO O=C(NCCC[NH+]1CCCC1)N1CCC(C2CCOCC2)CC1 ZINC000548793269 406553782 /nfs/dbraw/zinc/55/37/82/406553782.db2.gz YRCHLUSKKVXUEZ-UHFFFAOYSA-N 1 0 323.481 2.321 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000637968961 406500971 /nfs/dbraw/zinc/50/09/71/406500971.db2.gz CUMCNYZDJKZNHD-QZTJIDSGSA-N 1 0 315.461 2.237 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NC(C)(C)c2noc(C)n2)CC1 ZINC000525813012 406504913 /nfs/dbraw/zinc/50/49/13/406504913.db2.gz KGGVBPMOYPXUSD-UHFFFAOYSA-N 1 0 323.441 2.034 10 0 DEAERO CC(=O)N(C)c1ccccc1NC(=O)c1oc(C[NH3+])cc1C ZINC000638002247 406517649 /nfs/dbraw/zinc/51/76/49/406517649.db2.gz YZNTUQCLFRDBOR-UHFFFAOYSA-N 1 0 301.346 2.282 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCCC1(C)C ZINC000638004686 406518970 /nfs/dbraw/zinc/51/89/70/406518970.db2.gz FBTJIQGOVODXMO-JKSUJKDBSA-N 1 0 303.450 2.141 10 0 DEAERO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccn(C)n1 ZINC000549625103 406589513 /nfs/dbraw/zinc/58/95/13/406589513.db2.gz HKEFNZFSDBIYIZ-DZKIICNBSA-N 1 0 307.438 2.029 10 0 DEAERO Cc1cnc([C@@H](C)NC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)o1 ZINC000638280233 406667828 /nfs/dbraw/zinc/66/78/28/406667828.db2.gz BFGNFWGBVJEWQE-VNHYZAJKSA-N 1 0 317.389 2.093 10 0 DEAERO c1ccc([C@@H](C[NH2+]CCC[C@@H]2CCO2)N2CCOCC2)cc1 ZINC000638328329 406702682 /nfs/dbraw/zinc/70/26/82/406702682.db2.gz IFYGKOXCNGUEGF-QZTJIDSGSA-N 1 0 304.434 2.219 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000638416836 406759681 /nfs/dbraw/zinc/75/96/81/406759681.db2.gz ZVCPVKVTKKPDFR-SRVCANOKSA-N 1 0 316.445 2.471 10 0 DEAERO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000554264185 406790085 /nfs/dbraw/zinc/79/00/85/406790085.db2.gz NGNAAIGUDLZANV-LAVFITLUSA-N 1 0 320.433 2.021 10 0 DEAERO C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCCCC[NH+](C)C ZINC000554790540 406825665 /nfs/dbraw/zinc/82/56/65/406825665.db2.gz JRRIBFWNVFRVEU-AWEZNQCLSA-N 1 0 304.434 2.401 10 0 DEAERO c1cnc2c(c1)nccc2N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000570059227 292461022 /nfs/dbraw/zinc/46/10/22/292461022.db2.gz JOCFZCRFIJNYBM-HNNXBMFYSA-N 1 0 312.417 2.321 10 0 DEAERO CC[C@H]([NH3+])Cc1c(Cl)cccc1OCCN1CCOCC1 ZINC000128718716 195986431 /nfs/dbraw/zinc/98/64/31/195986431.db2.gz SLLWGYKCJAPREJ-ZDUSSCGKSA-N 1 0 312.841 2.331 10 0 DEAERO CC(C)C[NH2+]CC[C@@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129040095 196014370 /nfs/dbraw/zinc/01/43/70/196014370.db2.gz BLTRNMFJBQDIME-CABCVRRESA-N 1 0 304.500 2.320 10 0 DEAERO OCc1sc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc1Cl ZINC000129121373 196021198 /nfs/dbraw/zinc/02/11/98/196021198.db2.gz WGOIEAPILBJHBU-SNVBAGLBSA-N 1 0 301.843 2.353 10 0 DEAERO CN1CCO[C@@H](C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000129458166 196050389 /nfs/dbraw/zinc/05/03/89/196050389.db2.gz VESVACWWVIOEGK-ZDUSSCGKSA-N 1 0 306.303 2.265 10 0 DEAERO CC[NH2+]C[C@@](C)(O)COc1ccc(OC)cc1Br ZINC000129533643 196056285 /nfs/dbraw/zinc/05/62/85/196056285.db2.gz YWRKADRLOINQEX-CYBMUJFWSA-N 1 0 318.211 2.197 10 0 DEAERO COCC[NH2+]C[C@H](COC)c1ccc(Br)cc1 ZINC000129725022 196071253 /nfs/dbraw/zinc/07/12/53/196071253.db2.gz SQEAJCTZEJXQHT-GFCCVEGCSA-N 1 0 302.212 2.415 10 0 DEAERO COc1ccc(C(N)=S)c(N2CC[NH+](C(C)(C)C)CC2)c1 ZINC000130559865 196090484 /nfs/dbraw/zinc/09/04/84/196090484.db2.gz OAUADUJMWMGWTE-UHFFFAOYSA-N 1 0 307.463 2.250 10 0 DEAERO [NH3+][C@H]1CCN(c2cc(-c3cccc(Br)c3)[nH]n2)C1 ZINC000130597954 196093935 /nfs/dbraw/zinc/09/39/35/196093935.db2.gz TVPIAMHZHROWSW-NSHDSACASA-N 1 0 307.195 2.377 10 0 DEAERO Cc1nc(-c2ccccc2)ncc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000130704440 196102815 /nfs/dbraw/zinc/10/28/15/196102815.db2.gz DKCIYVGZTBZHLG-HNNXBMFYSA-N 1 0 310.401 2.276 10 0 DEAERO CC(C)OCC[NH2+]CC(=O)Nc1ccccc1Br ZINC000130900839 196120506 /nfs/dbraw/zinc/12/05/06/196120506.db2.gz OQNIYHSAJMVSBW-UHFFFAOYSA-N 1 0 315.211 2.402 10 0 DEAERO CS(=O)(=O)Nc1ccc(Cl)c(NC[C@H]2CCC[NH2+]C2)c1 ZINC000130926634 196123450 /nfs/dbraw/zinc/12/34/50/196123450.db2.gz VOGXHPYNZFQCEG-JTQLQIEISA-N 1 0 317.842 2.123 10 0 DEAERO CCc1nsc(Sc2ccc3c(c2)NC(=O)[C@H]3[NH2+]C)n1 ZINC000130948912 196125328 /nfs/dbraw/zinc/12/53/28/196125328.db2.gz NHAGUDBHEZACMF-NSHDSACASA-N 1 0 306.416 2.464 10 0 DEAERO CNc1ncc(Br)c(N[C@H](C[NH+](C)C)C(C)C)n1 ZINC000130977357 196128299 /nfs/dbraw/zinc/12/82/99/196128299.db2.gz VXJAUJIRLRTBDU-SNVBAGLBSA-N 1 0 316.247 2.279 10 0 DEAERO CCc1nsc(SC[C@](CO)([NH2+]C(C)C)C2CC2)n1 ZINC000130985754 196129762 /nfs/dbraw/zinc/12/97/62/196129762.db2.gz PJRGYRNINXRZSJ-ZDUSSCGKSA-N 1 0 301.481 2.332 10 0 DEAERO CCC[NH2+][C@@](C)(CCCSc1nc(CC)ns1)C(N)=O ZINC000131039301 196135133 /nfs/dbraw/zinc/13/51/33/196135133.db2.gz YYGMKDQPVJQSOY-ZDUSSCGKSA-N 1 0 316.496 2.216 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1C1(O)CCCCC1 ZINC000131179163 196147583 /nfs/dbraw/zinc/14/75/83/196147583.db2.gz AKSPNABWRKHLQW-UHFFFAOYSA-N 1 0 316.243 2.359 10 0 DEAERO C[NH2+]Cc1cccc(S(=O)(=O)NCCCC(F)(F)F)c1C ZINC000131228981 196150977 /nfs/dbraw/zinc/15/09/77/196150977.db2.gz AXSXKOJMNNYVHI-UHFFFAOYSA-N 1 0 324.368 2.335 10 0 DEAERO CC[NH2+]CCCNC(=O)c1sc2cc(OC)ccc2c1N ZINC000131239579 196152215 /nfs/dbraw/zinc/15/22/15/196152215.db2.gz ABGVJKUAHTWFDG-UHFFFAOYSA-N 1 0 307.419 2.222 10 0 DEAERO C[NH2+]Cc1cccc(S(=O)(=O)NCCCCC(F)(F)F)c1 ZINC000131246524 196153598 /nfs/dbraw/zinc/15/35/98/196153598.db2.gz PUTGLCWGJUHDLU-UHFFFAOYSA-N 1 0 324.368 2.417 10 0 DEAERO COc1cc(CN2CCC[C@H]2C[NH3+])cc(Br)c1O ZINC000131358607 196162283 /nfs/dbraw/zinc/16/22/83/196162283.db2.gz HAAZMGUEXNAFNQ-JTQLQIEISA-N 1 0 315.211 2.086 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1cccc(C)c1Br ZINC000131394634 196165348 /nfs/dbraw/zinc/16/53/48/196165348.db2.gz LMKHVEOVMKHKEV-JTQLQIEISA-N 1 0 315.211 2.450 10 0 DEAERO Cc1cccc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])c1Br ZINC000131436252 196168848 /nfs/dbraw/zinc/16/88/48/196168848.db2.gz NTVYSTSVBMNVSR-GWCFXTLKSA-N 1 0 313.195 2.060 10 0 DEAERO Nc1[nH+]c2cc(Br)c(F)cc2n1[C@H]1CCOC1 ZINC000131661386 196189158 /nfs/dbraw/zinc/18/91/58/196189158.db2.gz JRDGXYUFDFVCLK-LURJTMIESA-N 1 0 300.131 2.482 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(F)cc1C)C(C)(C)S(C)(=O)=O ZINC000131933741 196211721 /nfs/dbraw/zinc/21/17/21/196211721.db2.gz PQGCFQVEQYAKEA-AWEZNQCLSA-N 1 0 301.427 2.478 10 0 DEAERO C[C@@H]([NH2+]CCNC(=O)N(C)C)c1ccccc1Br ZINC000132213579 196236007 /nfs/dbraw/zinc/23/60/07/196236007.db2.gz DRGCEYJPYXFAFQ-SNVBAGLBSA-N 1 0 314.227 2.371 10 0 DEAERO CCOC(C)(C)[C@@H]([NH3+])Cc1c(Br)c(CC)nn1C ZINC000132297234 196243750 /nfs/dbraw/zinc/24/37/50/196243750.db2.gz ROWQZHZIBDERPL-NSHDSACASA-N 1 0 318.259 2.430 10 0 DEAERO COC[C@@H](C)[C@H]1C[NH+]=C(N)N1c1cccc(Br)c1 ZINC000132497766 196260201 /nfs/dbraw/zinc/26/02/01/196260201.db2.gz RBTHWJIVIDYMBT-BXKDBHETSA-N 1 0 312.211 2.235 10 0 DEAERO COC[C@H](C)[C@@H]1C[NH+]=C(N)N1c1cccc(Br)c1 ZINC000132497075 196260737 /nfs/dbraw/zinc/26/07/37/196260737.db2.gz RBTHWJIVIDYMBT-CABZTGNLSA-N 1 0 312.211 2.235 10 0 DEAERO C[NH2+][C@H]1CCN(C(=O)c2cc(C)c(Br)s2)C1 ZINC000132564435 196266432 /nfs/dbraw/zinc/26/64/32/196266432.db2.gz UZQVNCIQBPIPEY-QMMMGPOBSA-N 1 0 303.225 2.253 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H](COCc2ccccc2Br)O1 ZINC000132652169 196273549 /nfs/dbraw/zinc/27/35/49/196273549.db2.gz ONRYMLJRROIMAD-PWSUYJOCSA-N 1 0 300.196 2.343 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000132926145 196296855 /nfs/dbraw/zinc/29/68/55/196296855.db2.gz RWQKYQDZLQZTRW-RBSFLKMASA-N 1 0 318.465 2.314 10 0 DEAERO O[C@H](Cc1cc(F)cc(Br)c1)C1CC[NH2+]CC1 ZINC000133008856 196304614 /nfs/dbraw/zinc/30/46/14/196304614.db2.gz ZQGBXSVXSSYKHL-CYBMUJFWSA-N 1 0 302.187 2.491 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000133030358 196306431 /nfs/dbraw/zinc/30/64/31/196306431.db2.gz RUZUPNXYCANEDH-XVKPBYJWSA-N 1 0 300.145 2.485 10 0 DEAERO COc1cc(C[NH2+]C2(CO)CCC2)cc(Br)c1O ZINC000133150669 196316131 /nfs/dbraw/zinc/31/61/31/196316131.db2.gz UUTQWTATZPFSKE-UHFFFAOYSA-N 1 0 316.195 2.168 10 0 DEAERO C[NH2+]C[C@H](C)CNc1ccccc1S(=O)(=O)C(F)(F)F ZINC000133249614 196324495 /nfs/dbraw/zinc/32/44/95/196324495.db2.gz JRMIJXAZIQWIRU-VIFPVBQESA-N 1 0 310.341 2.248 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)NCCC2CCC2)c(Cl)c1 ZINC000134158473 196366655 /nfs/dbraw/zinc/36/66/55/196366655.db2.gz DZWIHKKVMKIAPM-UHFFFAOYSA-N 1 0 302.827 2.267 10 0 DEAERO C[N@@H+]1CCC[C@]2(CC(=O)NC(=O)[C@@H]2c2ccccc2Cl)C1 ZINC000134372973 196383159 /nfs/dbraw/zinc/38/31/59/196383159.db2.gz OZJQLPKTUKEVSJ-HOCLYGCPSA-N 1 0 306.793 2.182 10 0 DEAERO CC(C)[C@H]([NH3+])[C@H](O)c1cc(Br)c2c(c1)OCCO2 ZINC000134817960 196422239 /nfs/dbraw/zinc/42/22/39/196422239.db2.gz HTUAZWOUZJPHSY-NWDGAFQWSA-N 1 0 316.195 2.237 10 0 DEAERO C[NH2+][C@@H]1CSC[C@H]1c1nc([C@@H]2COc3ccccc32)no1 ZINC000134848168 196424052 /nfs/dbraw/zinc/42/40/52/196424052.db2.gz YJHNJRDBTSBFAZ-IJLUTSLNSA-N 1 0 303.387 2.012 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)CSCC)cc1 ZINC000135415405 196471651 /nfs/dbraw/zinc/47/16/51/196471651.db2.gz IFEFSOWLBWLOAK-GFCCVEGCSA-N 1 0 316.492 2.216 10 0 DEAERO [NH3+]CC1(C(=O)Nc2cnc(Br)cn2)CCCCC1 ZINC000138101684 196582592 /nfs/dbraw/zinc/58/25/92/196582592.db2.gz FYNRJEGGWAPCIS-UHFFFAOYSA-N 1 0 313.199 2.087 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)O1 ZINC000151011425 196616711 /nfs/dbraw/zinc/61/67/11/196616711.db2.gz XWDWHNXDCBXTOK-DOMZBBRYSA-N 1 0 319.405 2.083 10 0 DEAERO C[C@H]1CN(C(=O)c2cc3ccccc3s2)CCN1CCO ZINC000188731358 225032097 /nfs/dbraw/zinc/03/20/97/225032097.db2.gz MHXXBEGGWVGBGR-LBPRGKRZSA-N 1 0 304.415 2.040 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000189564490 225056164 /nfs/dbraw/zinc/05/61/64/225056164.db2.gz CDFCNKVNOCZLDN-QWHCGFSZSA-N 1 0 311.495 2.328 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000189591302 225056820 /nfs/dbraw/zinc/05/68/20/225056820.db2.gz ZUZCVWBXQREGAC-CVEARBPZSA-N 1 0 304.434 2.233 10 0 DEAERO C[C@H]1CN(Cc2ccccc2OC(F)(F)F)CC[N@@H+]1CCO ZINC000190248766 225079864 /nfs/dbraw/zinc/07/98/64/225079864.db2.gz OXVRHGZZHXFAGA-LBPRGKRZSA-N 1 0 318.339 2.084 10 0 DEAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)N[C@@H](c1ccccc1)C1CC1 ZINC000246389071 225227098 /nfs/dbraw/zinc/22/70/98/225227098.db2.gz PCVNFSGQSUILJY-HKUYNNGSSA-N 1 0 313.445 2.034 10 0 DEAERO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000245383019 287386327 /nfs/dbraw/zinc/38/63/27/287386327.db2.gz MQIUNHKRKMEVBI-ZACQAIPSSA-N 1 0 307.482 2.336 10 0 DEAERO Cc1cc(N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc[nH+]1 ZINC000302217709 230173005 /nfs/dbraw/zinc/17/30/05/230173005.db2.gz KBVAUQYCUYQJAH-RBUKOAKNSA-N 1 0 309.413 2.480 10 0 DEAERO CCc1nnc2ccc(N[C@H](C)C[NH+]3CCCCCC3)nn21 ZINC000302481961 230262618 /nfs/dbraw/zinc/26/26/18/230262618.db2.gz YDXLNGYHCZMBAO-CYBMUJFWSA-N 1 0 302.426 2.363 10 0 DEAERO O[C@@H](C[NH2+]C[C@@H]1CCOC1)COc1c(Cl)cccc1Cl ZINC000038094392 424808446 /nfs/dbraw/zinc/80/84/46/424808446.db2.gz BJEISWPMAFQUNR-QWRGUYRKSA-N 1 0 320.216 2.359 10 0 DEAERO CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000193803984 424871243 /nfs/dbraw/zinc/87/12/43/424871243.db2.gz UZGUUBPRQPWDJZ-MRXNPFEDSA-N 1 0 317.477 2.450 10 0 DEAERO C[C@@H](NC(=O)[C@@H](C)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000193810936 424871448 /nfs/dbraw/zinc/87/14/48/424871448.db2.gz SBCWGGNHRGBPFH-HUUCEWRRSA-N 1 0 303.450 2.278 10 0 DEAERO CCOCCCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194564976 424877235 /nfs/dbraw/zinc/87/72/35/424877235.db2.gz QVSKITOYEAPGFV-UHFFFAOYSA-N 1 0 311.470 2.321 10 0 DEAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1coc(Br)c1 ZINC000383278648 424910447 /nfs/dbraw/zinc/91/04/47/424910447.db2.gz ICHAUPSZLWWPPW-SNVBAGLBSA-N 1 0 301.184 2.208 10 0 DEAERO COC(=O)c1nc(NCC[N@H+](C)Cc2ccccc2)sc1C ZINC000386847916 424912493 /nfs/dbraw/zinc/91/24/93/424912493.db2.gz YWVKHHFGAZJRJW-UHFFFAOYSA-N 1 0 319.430 2.782 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398079692 424922774 /nfs/dbraw/zinc/92/27/74/424922774.db2.gz RFEWAAQCQOLLPF-RTBURBONSA-N 1 0 320.477 2.417 10 0 DEAERO CCCC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404139324 424925172 /nfs/dbraw/zinc/92/51/72/424925172.db2.gz GMJGGIWWEMKKGY-SJORKVTESA-N 1 0 302.418 2.288 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2cccc(Br)c2)CCOC1 ZINC000404190962 424925798 /nfs/dbraw/zinc/92/57/98/424925798.db2.gz FHWZOUKTSSMJIP-ZDUSSCGKSA-N 1 0 300.196 2.080 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1nscc1Br ZINC000404789534 424929050 /nfs/dbraw/zinc/92/90/50/424929050.db2.gz GSXSSSUELPZSLS-MRVPVSSYSA-N 1 0 318.240 2.072 10 0 DEAERO C[C@@H]1[C@H](C)N(C(=O)Nc2cc(C3(C)CCCC3)on2)CC[N@H+]1C ZINC000571620664 424932739 /nfs/dbraw/zinc/93/27/39/424932739.db2.gz VEGYNTZCRIILCZ-OLZOCXBDSA-N 1 0 320.437 3.063 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccncc1OC ZINC000249000756 424886860 /nfs/dbraw/zinc/88/68/60/424886860.db2.gz ONCRASLXUBMDLI-KGLIPLIRSA-N 1 0 320.437 2.277 10 0 DEAERO CN(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000302891733 424892731 /nfs/dbraw/zinc/89/27/31/424892731.db2.gz JXOTZXZCWPRKKX-ZWKOTPCHSA-N 1 0 315.461 2.109 10 0 DEAERO Cc1ccc(/C=C/CC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000084764078 267384591 /nfs/dbraw/zinc/38/45/91/267384591.db2.gz HSQYWEIYHWRDMT-LAQIPUCWSA-N 1 0 315.461 2.150 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccco2)n1 ZINC000088229332 267398097 /nfs/dbraw/zinc/39/80/97/267398097.db2.gz NVVVVSYAYNAQJH-OAHLLOKOSA-N 1 0 318.421 2.244 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2sccc2Br)CC1=O ZINC000657694329 425387387 /nfs/dbraw/zinc/38/73/87/425387387.db2.gz CYIOPUINVRWGRH-QMMMGPOBSA-N 1 0 303.225 2.079 10 0 DEAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2ccnn2C)nn1C ZINC000658268563 425463608 /nfs/dbraw/zinc/46/36/08/425463608.db2.gz JHQANKOCLOFIPB-GRDNDAEWSA-N 1 0 317.437 2.281 10 0 DEAERO CO[C@@H]1CN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC[C@H]1C ZINC000187372042 267661461 /nfs/dbraw/zinc/66/14/61/267661461.db2.gz BPDSMIWJJDBTAJ-GDBMZVCRSA-N 1 0 311.470 2.173 10 0 DEAERO CCc1nnsc1-c1nc(CC23CCC[NH+]2CCC3)no1 ZINC000333859850 268997651 /nfs/dbraw/zinc/99/76/51/268997651.db2.gz PQQWCJGJNRKLAY-UHFFFAOYSA-N 1 0 305.407 2.321 10 0 DEAERO Cc1ncc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)o1 ZINC000333907916 269003706 /nfs/dbraw/zinc/00/37/06/269003706.db2.gz VVJMEOXIYDMNQO-AWEZNQCLSA-N 1 0 306.410 2.143 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3cncc(OC4CCCCC4)n3)C[C@H]12 ZINC000333926051 269005149 /nfs/dbraw/zinc/00/51/49/269005149.db2.gz VCKVHBILOOMSDA-VHDGCEQUSA-N 1 0 302.422 2.362 10 0 DEAERO C[C@@H]1CC[NH2+][C@H](C(=O)NCCCCOCc2ccccc2)C1 ZINC000390703820 269098089 /nfs/dbraw/zinc/09/80/89/269098089.db2.gz AUQYBAKASZAXLN-WBVHZDCISA-N 1 0 304.434 2.488 10 0 DEAERO CCCCOC[C@H](O)C[N@@H+]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000396403849 269103283 /nfs/dbraw/zinc/10/32/83/269103283.db2.gz ZJJWKQMNPWWHQB-IEBWSBKVSA-N 1 0 320.477 2.370 10 0 DEAERO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000397531404 269106910 /nfs/dbraw/zinc/10/69/10/269106910.db2.gz HVDRLSBLXBMWBN-UHFFFAOYSA-N 1 0 314.385 2.037 10 0 DEAERO [NH3+][C@H](C(=O)NCc1ccccc1OC(F)(F)F)C1CCC1 ZINC000398988892 269110835 /nfs/dbraw/zinc/11/08/35/269110835.db2.gz JDCTWHAAXXLQLJ-LBPRGKRZSA-N 1 0 302.296 2.329 10 0 DEAERO C[C@H](OCc1ccccc1)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000404559883 269113165 /nfs/dbraw/zinc/11/31/65/269113165.db2.gz WQTSBMXHMIZVGZ-IVSAIRAKSA-N 1 0 304.434 2.424 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(-n3cccc3)cc2)C1 ZINC000521717581 269452003 /nfs/dbraw/zinc/45/20/03/269452003.db2.gz XTGKFTKRKZPTQX-KRWDZBQOSA-N 1 0 311.429 2.478 10 0 DEAERO CC(=O)NCCCCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052852881 273492256 /nfs/dbraw/zinc/49/22/56/273492256.db2.gz GKCZYSLZOUDWHK-KRWDZBQOSA-N 1 0 319.449 2.102 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000249076577 273765684 /nfs/dbraw/zinc/76/56/84/273765684.db2.gz RCCGEVROHORUDB-KBMXLJTQSA-N 1 0 310.825 2.362 10 0 DEAERO COc1cc2c(cc1F)ncnc2N1CC[NH+](C2CC2)CC1 ZINC000185951706 274101771 /nfs/dbraw/zinc/10/17/71/274101771.db2.gz MSCNFWGYWSPUJT-UHFFFAOYSA-N 1 0 302.353 2.062 10 0 DEAERO CSCC[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000189511639 274175786 /nfs/dbraw/zinc/17/57/86/274175786.db2.gz ZVIYPLAJGWTDST-UHFFFAOYSA-N 1 0 308.476 2.485 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000186801713 274305865 /nfs/dbraw/zinc/30/58/65/274305865.db2.gz KZNFSDNPELUWCM-YGRLFVJLSA-N 1 0 306.793 2.230 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Br)n1 ZINC000137077441 274374123 /nfs/dbraw/zinc/37/41/23/274374123.db2.gz XEGWPBNZYPIHHV-GHMZBOCLSA-N 1 0 324.222 2.153 10 0 DEAERO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000192078732 275025979 /nfs/dbraw/zinc/02/59/79/275025979.db2.gz SMLZVYLNRJWBJW-FUHWJXTLSA-N 1 0 323.396 2.488 10 0 DEAERO O[C@H](C[N@@H+]1CCC[C@H](n2cncn2)C1)c1ccc(F)cc1Cl ZINC000185005270 275056965 /nfs/dbraw/zinc/05/69/65/275056965.db2.gz BHDZZJJPWPALOQ-SWLSCSKDSA-N 1 0 324.787 2.441 10 0 DEAERO c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261930917 275070708 /nfs/dbraw/zinc/07/07/08/275070708.db2.gz LRSOFNUCDBZMPP-BZZMCLGOSA-N 1 0 316.445 2.299 10 0 DEAERO CCC[C@@H](C(=O)NCC(=O)Nc1c(C)cc(C)cc1C)[NH+](C)C ZINC000178645352 276021070 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C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249556178 278148541 /nfs/dbraw/zinc/14/85/41/278148541.db2.gz JVIMCTXJHLMWMK-KWCYVHTRSA-N 1 0 310.463 2.059 10 0 DEAERO C[C@@H](C(=O)NC[C@@]1(O)CCc2ccccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246518557 278208230 /nfs/dbraw/zinc/20/82/30/278208230.db2.gz IURXOOJKROBWOE-YGTYGHESSA-N 1 0 316.445 2.198 10 0 DEAERO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccncc1 ZINC000247351971 278241281 /nfs/dbraw/zinc/24/12/81/278241281.db2.gz YEGWVWKUBUTRBL-BPUTZDHNSA-N 1 0 302.422 2.268 10 0 DEAERO C[C@@H](C[NH3+])C(=O)/N=c1/sccn1Cc1ccccc1Cl ZINC000262479230 278242902 /nfs/dbraw/zinc/24/29/02/278242902.db2.gz ZINBEMOKDFQDME-KDSBZSBUSA-N 1 0 309.822 2.273 10 0 DEAERO C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1CCCC1 ZINC000172231350 278322482 /nfs/dbraw/zinc/32/24/82/278322482.db2.gz PLJJIKMPXOCIPU-OAHLLOKOSA-N 1 0 324.513 2.233 10 0 DEAERO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261995678 278442371 /nfs/dbraw/zinc/44/23/71/278442371.db2.gz UBINNYFUANIQBS-DMRZNYOFSA-N 1 0 318.465 2.054 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2cc(Br)ccc21 ZINC000449196881 278842117 /nfs/dbraw/zinc/84/21/17/278842117.db2.gz TYVDMXQXLOBIBG-BXKDBHETSA-N 1 0 309.207 2.194 10 0 DEAERO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000245560491 279022320 /nfs/dbraw/zinc/02/23/20/279022320.db2.gz JHEKKYDWYPRDHP-UKPHBRMFSA-N 1 0 303.402 2.432 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000261552897 279237799 /nfs/dbraw/zinc/23/77/99/279237799.db2.gz SAOKMDRXZMIIMC-WBVHZDCISA-N 1 0 303.450 2.094 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261546062 279238312 /nfs/dbraw/zinc/23/83/12/279238312.db2.gz KQZJXBQCUNSYTO-DOTOQJQBSA-N 1 0 303.450 2.094 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000159166530 279259060 /nfs/dbraw/zinc/25/90/60/279259060.db2.gz XAZDFZDYBAISJM-UHFFFAOYSA-N 1 0 309.458 2.021 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2cccc(N(C)C)c2)C1 ZINC000151451256 279293344 /nfs/dbraw/zinc/29/33/44/279293344.db2.gz AVICVABQRDGQNC-MRXNPFEDSA-N 1 0 318.465 2.378 10 0 DEAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn2ccnc2s1 ZINC000190992340 279323476 /nfs/dbraw/zinc/32/34/76/279323476.db2.gz XAOAJFBTGGHHQC-FRRDWIJNSA-N 1 0 320.462 2.492 10 0 DEAERO C[C@H](C[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O)Cc1ccccc1 ZINC000182076615 279347323 /nfs/dbraw/zinc/34/73/23/279347323.db2.gz PEFCVHSKBZLOJE-XIRDDKMYSA-N 1 0 324.490 2.173 10 0 DEAERO C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)C1CCOCC1 ZINC000152332795 279448635 /nfs/dbraw/zinc/44/86/35/279448635.db2.gz YMUWWBQLMZMKOD-AWEZNQCLSA-N 1 0 320.433 2.172 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C12CCC2 ZINC000236902098 279858935 /nfs/dbraw/zinc/85/89/35/279858935.db2.gz DCLWYKWUJCIXMZ-UVPYHEFZSA-N 1 0 306.450 2.371 10 0 DEAERO O=C(c1cc(F)cc2nc[nH]c21)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186516825 280165670 /nfs/dbraw/zinc/16/56/70/280165670.db2.gz ZJZPKKQDRXAAPU-NSHDSACASA-N 1 0 302.353 2.059 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247005711 280240926 /nfs/dbraw/zinc/24/09/26/280240926.db2.gz LBAKERFAEJAZOF-SJORKVTESA-N 1 0 318.465 2.447 10 0 DEAERO CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000246567427 280403422 /nfs/dbraw/zinc/40/34/22/280403422.db2.gz USLHTXLBKITNIG-GOEBONIOSA-N 1 0 301.434 2.243 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1snnc1C(C)(C)C ZINC000248982935 288313349 /nfs/dbraw/zinc/31/33/49/288313349.db2.gz UCNKBJWKRWBZOR-MNOVXSKESA-N 1 0 308.451 2.144 10 0 DEAERO C[C@H](Cc1cccc(F)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000068864577 281528244 /nfs/dbraw/zinc/52/82/44/281528244.db2.gz XHWSEXCTEYWQRG-OAHLLOKOSA-N 1 0 322.424 2.233 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCc2ncc(C)s2)CC1 ZINC000073952764 281548375 /nfs/dbraw/zinc/54/83/75/281548375.db2.gz XNIAYUUHERRSBA-UHFFFAOYSA-N 1 0 310.467 2.373 10 0 DEAERO CC(=O)c1cccc(NC(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000079392142 281590154 /nfs/dbraw/zinc/59/01/54/281590154.db2.gz PDMVJASEYSCIQO-UHFFFAOYSA-N 1 0 319.405 2.123 10 0 DEAERO C[C@H](CC[NH2+]Cc1cnn(Cc2ccccc2)c1)[S@](C)=O ZINC000129507041 281913559 /nfs/dbraw/zinc/91/35/59/281913559.db2.gz OMGVFGFCDDHBRV-SPLOXXLWSA-N 1 0 305.447 2.178 10 0 DEAERO C[NH+](C)C1(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CCCC1 ZINC000408345227 289048733 /nfs/dbraw/zinc/04/87/33/289048733.db2.gz IDKYPQXPYLCNTF-YJBOKZPZSA-N 1 0 323.481 2.197 10 0 DEAERO CN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCSC1 ZINC000123368161 289186991 /nfs/dbraw/zinc/18/69/91/289186991.db2.gz JMPGMOCHNWCWQE-CVEARBPZSA-N 1 0 321.490 2.306 10 0 DEAERO C[C@H](C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)C1C[NH2+]C1 ZINC000164278155 289292748 /nfs/dbraw/zinc/29/27/48/289292748.db2.gz GVLLZWDSFHUAAE-NHYWBVRUSA-N 1 0 308.809 2.095 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000261873209 289902790 /nfs/dbraw/zinc/90/27/90/289902790.db2.gz YDEOUCJWICWQFK-MQZQPLMUSA-N 1 0 302.418 2.431 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NC2(CO)CCCC2)[C@H]1c1ccccc1 ZINC000248057051 290138812 /nfs/dbraw/zinc/13/88/12/290138812.db2.gz ONQFJPXQUSTUTO-HZPDHXFCSA-N 1 0 317.433 2.036 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3CC[C@@H](C)C[C@@H]3C[NH3+])cc2)c1 ZINC000261909307 292986042 /nfs/dbraw/zinc/98/60/42/292986042.db2.gz XHPLCBPTLLYLKZ-CXAGYDPISA-N 1 0 312.417 2.380 10 0 DEAERO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262344334 294474200 /nfs/dbraw/zinc/47/42/00/294474200.db2.gz FWTJFLIPGJRRPH-HFAKWTLXSA-N 1 0 310.825 2.388 10 0 DEAERO Cn1nc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1C1CC1 ZINC000261796512 294511588 /nfs/dbraw/zinc/51/15/88/294511588.db2.gz VFJQBXVLCLBEHC-UHFFFAOYSA-N 1 0 314.364 2.335 10 0 DEAERO COc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1OC ZINC000186540721 295080142 /nfs/dbraw/zinc/08/01/42/295080142.db2.gz LPZXNPXZWILPTQ-ZDUSSCGKSA-N 1 0 304.390 2.060 10 0 DEAERO COc1cccc([C@H]2[C@H](NC(=O)NC3CC3)CC[N@@H+]2C2CC2)c1 ZINC000182127458 295330907 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CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(O)c2)[C@@H](C)C1 ZINC000246423977 521712033 /nfs/dbraw/zinc/71/20/33/521712033.db2.gz LZZXOZCNOCPCAR-XJKSGUPXSA-N 1 0 305.422 2.264 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cccc(Oc3cnccn3)c2)CC1 ZINC000237154840 521950596 /nfs/dbraw/zinc/95/05/96/521950596.db2.gz MKBSEXOQCOHKLW-UHFFFAOYSA-N 1 0 312.373 2.093 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1cccc(F)c1 ZINC000111865407 523825716 /nfs/dbraw/zinc/82/57/16/523825716.db2.gz OLCFRFYHJAQELA-MRXNPFEDSA-N 1 0 323.412 2.078 10 0 DEAERO CCc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1F ZINC000245987691 523980741 /nfs/dbraw/zinc/98/07/41/523980741.db2.gz CPGHOBOVCCDMFB-STQMWFEESA-N 1 0 323.412 2.307 10 0 DEAERO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875570 524164691 /nfs/dbraw/zinc/16/46/91/524164691.db2.gz GPRVCNBNQSCKTA-AWEZNQCLSA-N 1 0 318.465 2.122 10 0 DEAERO C[C@@H]1CCCN(Cc2csc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)n2)C1 ZINC000246213901 524239372 /nfs/dbraw/zinc/23/93/72/524239372.db2.gz 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CCCOc1ccc(C(=O)CCC(=O)NC[C@H](C)[NH2+]C)cc1 ZINC000261615383 535256196 /nfs/dbraw/zinc/25/61/96/535256196.db2.gz ARXLGOUVFIOWJJ-ZDUSSCGKSA-N 1 0 306.406 2.162 10 0 DEAERO CC1(C)CN(CC(=O)Nc2ccc(F)cc2Cl)CC[C@H]1[NH3+] ZINC000261733458 535352361 /nfs/dbraw/zinc/35/23/61/535352361.db2.gz RKKPTJOCBANCGJ-CYBMUJFWSA-N 1 0 313.804 2.477 10 0 DEAERO CC1(C)CN(CC(=O)N[C@H](c2ccccc2)C2CC2)CC[C@@H]1[NH3+] ZINC000261821942 535353126 /nfs/dbraw/zinc/35/31/26/535353126.db2.gz XZVYAILYOPLQDM-FUHWJXTLSA-N 1 0 315.461 2.313 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)CC2 ZINC000375264358 535381685 /nfs/dbraw/zinc/38/16/85/535381685.db2.gz YUBIGSIMESJPDJ-KGLIPLIRSA-N 1 0 318.465 2.191 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cncn2C)[C@H]1Oc1ccccc1 ZINC000249463076 535414648 /nfs/dbraw/zinc/41/46/48/535414648.db2.gz ROHQRAHOVBYPBU-BRWVUGGUSA-N 1 0 301.390 2.135 10 0 DEAERO CCCc1nc(C)c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)s1 ZINC000263218319 535485392 /nfs/dbraw/zinc/48/53/92/535485392.db2.gz LIGPWFOKGHXJSY-JTQLQIEISA-N 1 0 307.423 2.030 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372392138 535564881 /nfs/dbraw/zinc/56/48/81/535564881.db2.gz ACEUEJVKIHUMDQ-ZIAGYGMSSA-N 1 0 318.465 2.239 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)COc1ccccc1C ZINC000246731264 535590823 /nfs/dbraw/zinc/59/08/23/535590823.db2.gz DSJWDIGNVNBQHZ-DLBZAZTESA-N 1 0 306.450 2.151 10 0 DEAERO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC[C@H](C)O ZINC000450843885 535601461 /nfs/dbraw/zinc/60/14/61/535601461.db2.gz OTTOYXUHMLVYBY-YJBOKZPZSA-N 1 0 305.418 2.398 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@H](C)CO)c1ccccc1 ZINC000246958468 535673339 /nfs/dbraw/zinc/67/33/39/535673339.db2.gz FZJMACVFSMZZAC-BFYDXBDKSA-N 1 0 321.465 2.386 10 0 DEAERO CN(C)c1cc(C(=O)N2CC[NH+]3CCC2CC3)c2ccccc2n1 ZINC000188843357 536143499 /nfs/dbraw/zinc/14/34/99/536143499.db2.gz OYFDGXLVSGHWGV-UHFFFAOYSA-N 1 0 324.428 2.221 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@@H]2C=CCCC2)CC1 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C[NH+](C)C1CCN(C(=O)Nc2ccc3oc(=O)ccc3c2)CC1 ZINC000065789865 625644052 /nfs/dbraw/zinc/64/40/52/625644052.db2.gz PJUMFZBCCUFHAN-UHFFFAOYSA-N 1 0 315.373 2.351 10 0 DEAERO c1csc(-c2noc(CCC[N@@H+]3CCC4(C3)OCCO4)n2)c1 ZINC000160625640 623995796 /nfs/dbraw/zinc/99/57/96/623995796.db2.gz GPHUKCPCIPSCMN-UHFFFAOYSA-N 1 0 321.402 2.180 10 0 DEAERO C[C@@H]([NH2+]Cc1cccc(I)c1)[C@H](C)O ZINC000308589403 624195835 /nfs/dbraw/zinc/19/58/35/624195835.db2.gz JSQXIDZQORBTAI-BDAKNGLRSA-N 1 0 305.159 2.150 10 0 DEAERO CCC[N@H+](C[C@@H]1CCCCO1)CN1CC2(CC1=O)CCOCC2 ZINC000176754660 625092238 /nfs/dbraw/zinc/09/22/38/625092238.db2.gz ZVHCHJOYIFHJTL-INIZCTEOSA-N 1 0 324.465 2.254 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@H]([NH3+])CCOC ZINC000052808128 625105332 /nfs/dbraw/zinc/10/53/32/625105332.db2.gz GBBRHEWHMOSMBN-LLVKDONJSA-N 1 0 300.786 2.431 10 0 DEAERO C[C@@H]1CC[C@H](C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)O1 ZINC000178092473 625127888 /nfs/dbraw/zinc/12/78/88/625127888.db2.gz PHYJIUNEHAIIGF-RHSMWYFYSA-N 1 0 317.433 2.335 10 0 DEAERO CC[S@](=O)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000733963901 633305635 /nfs/dbraw/zinc/30/56/35/633305635.db2.gz YSLNMDCMRBCVIO-QFIPXVFZSA-N 1 0 322.474 2.171 10 0 DEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CN2CCOC2=S)C1(CC)CC ZINC000083630025 633653576 /nfs/dbraw/zinc/65/35/76/633653576.db2.gz VZGPTKYIFFPKBM-CHWSQXEVSA-N 1 0 300.468 2.477 10 0 DEAERO CCn1cc(O[C@@H]2CCC[C@@H]2[NH2+]Cc2cc(C)nn2C)cn1 ZINC000888099357 635547817 /nfs/dbraw/zinc/54/78/17/635547817.db2.gz VZFZIPCOWNMBHX-JKSUJKDBSA-N 1 0 303.410 2.035 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000232036829 635923777 /nfs/dbraw/zinc/92/37/77/635923777.db2.gz KPIJABZTAGOGBJ-LLVKDONJSA-N 1 0 315.211 2.368 10 0 DEAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000178931834 637307257 /nfs/dbraw/zinc/30/72/57/637307257.db2.gz MBBDDGDPUFVOBL-KUCQQTCKSA-N 1 0 312.410 2.200 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=S)NNc1cccc(F)c1F ZINC000743003834 638109614 /nfs/dbraw/zinc/10/96/14/638109614.db2.gz CFPXMCKCSBYAAZ-JTQLQIEISA-N 1 0 314.405 2.240 10 0 DEAERO C[C@@H](CO)C[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000743271362 638130942 /nfs/dbraw/zinc/13/09/42/638130942.db2.gz JGLPJPPRTUHVKX-MFKMUULPSA-N 1 0 302.212 2.043 10 0 DEAERO CCCCCCOCC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000748434732 638556129 /nfs/dbraw/zinc/55/61/29/638556129.db2.gz NMJSRXTZSWJVTF-HNNXBMFYSA-N 1 0 302.484 2.137 10 0 DEAERO CC(=O)OCC(C)(C)CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000805332253 640900990 /nfs/dbraw/zinc/90/09/90/640900990.db2.gz OVBVHMSOBIKXHM-DZGCQCFKSA-N 1 0 310.438 2.051 10 0 DEAERO C[C@@H]1CN(c2ncc(C=O)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000323304775 641355219 /nfs/dbraw/zinc/35/52/19/641355219.db2.gz CVCGERYNAVXXIY-HNNXBMFYSA-N 1 0 310.401 2.247 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000238013123 641476890 /nfs/dbraw/zinc/47/68/90/641476890.db2.gz FOKCARYUJNLWQA-FZMZJTMJSA-N 1 0 318.808 2.383 10 0 DEAERO Cc1nc2c(nccc2C(=O)NCCC[NH+]2CCC(C)CC2)[nH]1 ZINC000436067887 642971797 /nfs/dbraw/zinc/97/17/97/642971797.db2.gz HIWDFVHHMMAPJW-UHFFFAOYSA-N 1 0 315.421 2.118 10 0 DEAERO CCC[C@H](C(=O)N[C@H](C)CC(=O)OCc1ccccc1)[NH+](C)C ZINC000121528404 650895251 /nfs/dbraw/zinc/89/52/51/650895251.db2.gz GTKCIPUAUAQYRH-GDBMZVCRSA-N 1 0 320.433 2.355 10 0 DEAERO C[C@@H]1[C@H](OC(=O)c2cccc(C[NH+]3CCCC3)c2)CC(=O)N1C ZINC000806080596 644650595 /nfs/dbraw/zinc/65/05/95/644650595.db2.gz HSVIYJIRHROJBL-CZUORRHYSA-N 1 0 316.401 2.058 10 0 DEAERO CN(C)c1ncc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cn1 ZINC000800286656 645251032 /nfs/dbraw/zinc/25/10/32/645251032.db2.gz PBOVHVVOLRAPDG-HNNXBMFYSA-N 1 0 302.809 2.453 10 0 DEAERO c1oc(C2CC2)nc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000800537286 645286112 /nfs/dbraw/zinc/28/61/12/645286112.db2.gz RAVBPWSQUWSACR-AWEZNQCLSA-N 1 0 305.422 2.096 10 0 DEAERO C[N@@H+]1CCCN(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000800740164 645301765 /nfs/dbraw/zinc/30/17/65/645301765.db2.gz YEAWRPRZZNRYQF-OAHLLOKOSA-N 1 0 307.825 2.154 10 0 DEAERO O=C(OCc1ccc2c(c1)OCCO2)C1CC[NH+](C2CC2)CC1 ZINC000801872890 645455882 /nfs/dbraw/zinc/45/58/82/645455882.db2.gz HREXZGFVKJTHPI-UHFFFAOYSA-N 1 0 317.385 2.375 10 0 DEAERO CCCN(CC[NH+]1CCCCC1)C(=O)Cc1ccc(F)cn1 ZINC000804566093 645791455 /nfs/dbraw/zinc/79/14/55/645791455.db2.gz JLIHLVBLBSHUCY-UHFFFAOYSA-N 1 0 307.413 2.488 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC12OCCO2)c1ccsc1 ZINC000806430323 645830024 /nfs/dbraw/zinc/83/00/24/645830024.db2.gz LXLLBFDMAGNTDK-KBPBESRZSA-N 1 0 324.446 2.010 10 0 DEAERO CON(C)C(=O)CC[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000806627134 645854470 /nfs/dbraw/zinc/85/44/70/645854470.db2.gz BKPVHCQDRRYGSJ-UHFFFAOYSA-N 1 0 313.810 2.449 10 0 DEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc2c(c1)OCCO2 ZINC000757183847 645938109 /nfs/dbraw/zinc/93/81/09/645938109.db2.gz HSAFTMRKQCCYPR-STQMWFEESA-N 1 0 305.374 2.103 10 0 DEAERO COc1ccc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)c(OC)c1 ZINC000757183817 645938225 /nfs/dbraw/zinc/93/82/25/645938225.db2.gz HKWSXIVOHLSSKU-KBPBESRZSA-N 1 0 307.390 2.349 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccc(S(N)(=O)=O)cc1 ZINC000229114978 646667628 /nfs/dbraw/zinc/66/76/28/646667628.db2.gz CJPMQHQIOBEXIU-ZJUUUORDSA-N 1 0 311.432 2.202 10 0 DEAERO CCc1nn(C)c(Cl)c1CN1CC[NH+](CCSC)CC1 ZINC000171632412 646708718 /nfs/dbraw/zinc/70/87/18/646708718.db2.gz NDZNQQGZIZHVJP-UHFFFAOYSA-N 1 0 316.902 2.117 10 0 DEAERO CC(C)(C)SCC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172460707 646738178 /nfs/dbraw/zinc/73/81/78/646738178.db2.gz BAFYUOAGOUHLTK-UHFFFAOYSA-N 1 0 314.495 2.089 10 0 DEAERO Cn1ccc(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000230685113 646743533 /nfs/dbraw/zinc/74/35/33/646743533.db2.gz PMFIAXJMVPDVQC-GXTWGEPZSA-N 1 0 308.426 2.203 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CCSCCCO ZINC000230784886 646747092 /nfs/dbraw/zinc/74/70/92/646747092.db2.gz REIOOWCXJHGLNI-CYBMUJFWSA-N 1 0 318.483 2.091 10 0 DEAERO Fc1ccc(OCCn2cc(C[NH2+]C3CC3)nn2)cc1Cl ZINC000111764901 647348179 /nfs/dbraw/zinc/34/81/79/647348179.db2.gz WEZOCEATBYOKNU-UHFFFAOYSA-N 1 0 310.760 2.402 10 0 DEAERO CC[NH+]1CCN(c2ccc(CNCc3ccco3)cn2)CC1 ZINC000069708095 648739216 /nfs/dbraw/zinc/73/92/16/648739216.db2.gz NFMIQBVYNDCRHD-UHFFFAOYSA-N 1 0 300.406 2.106 10 0 DEAERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](C)CC1 ZINC000185737794 649600851 /nfs/dbraw/zinc/60/08/51/649600851.db2.gz NZFDIIRWAXJEMU-ACCUITESSA-N 1 0 317.389 2.456 10 0 DEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000342200523 685312505 /nfs/dbraw/zinc/31/25/05/685312505.db2.gz FICYSGLGUYVOTQ-JGVFFNPUSA-N 1 0 302.168 2.037 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000379678125 685393464 /nfs/dbraw/zinc/39/34/64/685393464.db2.gz ZQSZAMYIYXQNSS-GSFWHOLMSA-N 1 0 314.838 2.452 10 0 DEAERO C[C@H]1CCN(c2cnc(CO)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000382650239 685405516 /nfs/dbraw/zinc/40/55/16/685405516.db2.gz XQEBUBIWMUULPE-HNNXBMFYSA-N 1 0 312.417 2.070 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1cnc(CO)cn1 ZINC000382659435 685405675 /nfs/dbraw/zinc/40/56/75/685405675.db2.gz PFLJDPHXIWATJG-HNNXBMFYSA-N 1 0 312.417 2.070 10 0 DEAERO Fc1ccc(SCc2noc(C[C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000091295215 684035953 /nfs/dbraw/zinc/03/59/53/684035953.db2.gz JEKPFMOEHSYOHI-LLVKDONJSA-N 1 0 309.366 2.032 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CSCCS1 ZINC000119338042 684080030 /nfs/dbraw/zinc/08/00/30/684080030.db2.gz LKEFBMKDNXXEQM-OLZOCXBDSA-N 1 0 302.509 2.072 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)COC2CCCCC2)C1 ZINC000130817727 684193366 /nfs/dbraw/zinc/19/33/66/684193366.db2.gz BVXJDUBZSKQBCF-INIZCTEOSA-N 1 0 313.438 2.236 10 0 DEAERO C[C@@H]1CN(CN2C(=O)OC[C@@H]2Cc2ccccc2)CCS1 ZINC000131144138 684196953 /nfs/dbraw/zinc/19/69/53/684196953.db2.gz OXXAXTZIFPEROU-HIFRSBDPSA-N 1 0 306.431 2.445 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(Cn3ccnn3)CC2)c1 ZINC000155865724 684281734 /nfs/dbraw/zinc/28/17/34/684281734.db2.gz ORNUIUKQZBIJDU-SFHVURJKSA-N 1 0 314.433 2.341 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000188514479 684358166 /nfs/dbraw/zinc/35/81/66/684358166.db2.gz UWBKBDIFNDQPME-UHFFFAOYSA-N 1 0 320.393 2.027 10 0 DEAERO COc1ccc2c(c1)C(=O)N(C[N@H+](C[C@@H]1CCOC1)C1CC1)C2 ZINC000189708149 684387157 /nfs/dbraw/zinc/38/71/57/684387157.db2.gz KEWMQDPYVSPCGY-ZDUSSCGKSA-N 1 0 316.401 2.109 10 0 DEAERO C[N@H+](CC1(O)CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191765410 684436037 /nfs/dbraw/zinc/43/60/37/684436037.db2.gz XKVAOXDVXFJTSI-QGZVFWFLSA-N 1 0 316.445 2.415 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CCC1OCCO1 ZINC000191917289 684438830 /nfs/dbraw/zinc/43/88/30/684438830.db2.gz UYMIVIAPBVYZOS-CHWSQXEVSA-N 1 0 314.426 2.032 10 0 DEAERO C[C@H]([NH3+])[C@H](C)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000192081149 684440809 /nfs/dbraw/zinc/44/08/09/684440809.db2.gz LJCLITGVUZLNOM-DZKIICNBSA-N 1 0 316.401 2.325 10 0 DEAERO C[C@H]1COCC[C@@H]1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192577971 684452911 /nfs/dbraw/zinc/45/29/11/684452911.db2.gz BUYJAORCVWUDOS-UAGQMJEPSA-N 1 0 303.402 2.477 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2ccc(Cl)nc2)C1 ZINC000194171668 685059640 /nfs/dbraw/zinc/05/96/40/685059640.db2.gz RIPCFKBJCVNKAM-ZDUSSCGKSA-N 1 0 310.829 2.361 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)Cc2cccc(F)c2)C1 ZINC000194457386 685067800 /nfs/dbraw/zinc/06/78/00/685067800.db2.gz FUTRYQBLNQGCFN-MRXNPFEDSA-N 1 0 309.381 2.268 10 0 DEAERO [NH2+]=C(NCc1ccc(Cn2ccccc2=O)cc1)NC1CCCC1 ZINC000195522805 685101130 /nfs/dbraw/zinc/10/11/30/685101130.db2.gz FAMMJJKINMFXGM-UHFFFAOYSA-N 1 0 324.428 2.453 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc([C@H](C)O)cc2)C1 ZINC000249726980 685186572 /nfs/dbraw/zinc/18/65/72/685186572.db2.gz QHLQSWOUEYNSJS-XJKSGUPXSA-N 1 0 305.422 2.023 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)C1 ZINC000252656691 685193652 /nfs/dbraw/zinc/19/36/52/685193652.db2.gz NURSRHPMLQBIPQ-DAXOMENPSA-N 1 0 315.417 2.105 10 0 DEAERO c1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc2c1OCO2 ZINC000274036213 685208142 /nfs/dbraw/zinc/20/81/42/685208142.db2.gz QBNDFUQTBNBTPV-RISCZKNCSA-N 1 0 315.329 2.001 10 0 DEAERO CC1CCN(C(=[NH2+])NCCCc2nnc3n2CCCCC3)CC1 ZINC000303395878 685231976 /nfs/dbraw/zinc/23/19/76/685231976.db2.gz HKFPGTOVKKHFBR-UHFFFAOYSA-N 1 0 318.469 2.193 10 0 DEAERO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1 ZINC000879605352 690686377 /nfs/dbraw/zinc/68/63/77/690686377.db2.gz MLHOGGNKCUBYGQ-IAGOWNOFSA-N 1 0 318.417 2.291 10 0 DEAERO COCc1ccccc1C[NH2+]C[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000886079349 691998672 /nfs/dbraw/zinc/99/86/72/691998672.db2.gz HXHBYYKGMMIDFE-QAPCUYQASA-N 1 0 315.417 2.434 10 0 DEAERO C[C@H]([NH2+][C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc(-n2cccn2)cc1 ZINC000886097048 692002873 /nfs/dbraw/zinc/00/28/73/692002873.db2.gz KAPZRADOQODSOB-VIBAHUMZSA-N 1 0 323.400 2.094 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnn(C)c1Cl ZINC000932412126 694609208 /nfs/dbraw/zinc/60/92/08/694609208.db2.gz YIKIGDPCPCQMMU-QWRGUYRKSA-N 1 0 311.817 2.164 10 0 DEAERO CC(C)[NH+]1CCN(c2nnc(-c3ccc(O)cc3)s2)CC1 ZINC000585132858 790328076 /nfs/dbraw/zinc/32/80/76/790328076.db2.gz BFOSXEHDRPVUHX-UHFFFAOYSA-N 1 0 304.419 2.441 10 0 DEAERO COc1ccc(/C=C(/C)C(=O)NCC[NH+]2CCCC2)cc1F ZINC000588444902 777199952 /nfs/dbraw/zinc/19/99/52/777199952.db2.gz ZBMRWIAHPZSCRP-QBFSEMIESA-N 1 0 306.381 2.450 10 0 DEAERO CC[C@H]([NH2+]C[C@H](O)COCc1ccccc1)[C@@H]1CCCOC1 ZINC000724000072 777218453 /nfs/dbraw/zinc/21/84/53/777218453.db2.gz BWTQUOGBRLWSGB-SQNIBIBYSA-N 1 0 307.434 2.359 10 0 DEAERO CC[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)[C@H]1CCCOC1 ZINC000724000067 777218627 /nfs/dbraw/zinc/21/86/27/777218627.db2.gz BWTQUOGBRLWSGB-KSZLIROESA-N 1 0 307.434 2.359 10 0 DEAERO C[C@](O)(C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)C(F)(F)C(F)(F)F ZINC000724092991 777238844 /nfs/dbraw/zinc/23/88/44/777238844.db2.gz KIMIONQTXQMLSF-AEJSXWLSSA-N 1 0 303.271 2.092 10 0 DEAERO C[C@H]([NH2+][C@@H]1CC12CC(O)C2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000724917639 777521469 /nfs/dbraw/zinc/52/14/69/777521469.db2.gz JSXGPLCTNDGAGA-IDUWUTMCSA-N 1 0 310.438 2.135 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000725080695 777581635 /nfs/dbraw/zinc/58/16/35/777581635.db2.gz OAAKAMRNAOGNGY-AWEZNQCLSA-N 1 0 314.476 2.129 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000725113312 777587839 /nfs/dbraw/zinc/58/78/39/777587839.db2.gz JYTNRAMWYPNYKU-CMPLNLGQSA-N 1 0 302.465 2.031 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000722252267 778551247 /nfs/dbraw/zinc/55/12/47/778551247.db2.gz HFNQQFDPMHYLFQ-SWHYSGLUSA-N 1 0 313.239 2.022 10 0 DEAERO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CCO1 ZINC000722499947 778742566 /nfs/dbraw/zinc/74/25/66/778742566.db2.gz FNDSVEKQZKTDPU-IHRRRGAJSA-N 1 0 314.426 2.331 10 0 DEAERO CO[C@]1(C[NH2+][C@@H]2CCCC(C)(C)CC2)CCS(=O)(=O)C1 ZINC000721254680 780763321 /nfs/dbraw/zinc/76/33/21/780763321.db2.gz JYHYAHJGONJZEN-HIFRSBDPSA-N 1 0 303.468 2.139 10 0 DEAERO CO[C@@]1(C[NH2+][C@H](C)c2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000721258567 781017696 /nfs/dbraw/zinc/01/76/96/781017696.db2.gz IDZPMQYSCJXICF-BXUZGUMPSA-N 1 0 317.838 2.194 10 0 DEAERO CC[C@H](C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C)[NH+](CC)CC ZINC000440149581 781847672 /nfs/dbraw/zinc/84/76/72/781847672.db2.gz KRSXPERZBYVORK-ZIAGYGMSSA-N 1 0 321.469 2.425 10 0 DEAERO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Cl)s2)CCS(=O)(=O)C1 ZINC000721213156 784251509 /nfs/dbraw/zinc/25/15/09/784251509.db2.gz RNUDZECOYIYKSJ-JOYOIKCWSA-N 1 0 323.867 2.256 10 0 DEAERO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1Br ZINC000712313028 784814400 /nfs/dbraw/zinc/81/44/00/784814400.db2.gz FKYSEQALMMHCGL-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000721852250 787323762 /nfs/dbraw/zinc/32/37/62/787323762.db2.gz KACZSARUVMXJOM-MWLCHTKSSA-N 1 0 312.439 2.192 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000721891871 787324113 /nfs/dbraw/zinc/32/41/13/787324113.db2.gz VARJUFYMMQYFME-SBDDDAINSA-N 1 0 314.838 2.228 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1C ZINC000722566026 787333760 /nfs/dbraw/zinc/33/37/60/787333760.db2.gz GGKQMPRHPOGNDA-PELKAZGASA-N 1 0 302.465 2.031 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC(=O)N(C)C2)CN1Cc1ccccc1 ZINC000723581523 787344355 /nfs/dbraw/zinc/34/43/55/787344355.db2.gz LIJBJCZMWNAULT-NJAFHUGGSA-N 1 0 315.461 2.107 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000723826780 787345452 /nfs/dbraw/zinc/34/54/52/787345452.db2.gz RJQNBMHWHIHOOQ-LMRVLLHPSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@@H]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)O1 ZINC000724096786 787349054 /nfs/dbraw/zinc/34/90/54/787349054.db2.gz OQIZLPBGRKYZFH-BBBLOLIVSA-N 1 0 305.287 2.482 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC23CC(O)C3)C1 ZINC000725001406 787356030 /nfs/dbraw/zinc/35/60/30/787356030.db2.gz NNWNRAZQRCFUCB-QBMKOXDISA-N 1 0 310.438 2.183 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CN1C1CC1 ZINC000397759912 790217332 /nfs/dbraw/zinc/21/73/32/790217332.db2.gz UWXVEPQCJGKUQG-TZMCWYRMSA-N 1 0 309.454 2.068 10 0 DEAERO Cn1cc(C[NH2+]CC[C@@H]2CCCCO2)c(Br)n1 ZINC000712484085 792190263 /nfs/dbraw/zinc/19/02/63/792190263.db2.gz ZKPOTJUVGZTNET-NSHDSACASA-N 1 0 302.216 2.231 10 0 DEAERO CCN1CC[C@@H]1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000712593764 792192259 /nfs/dbraw/zinc/19/22/59/792192259.db2.gz IAPISJODXMYXDR-ZIAGYGMSSA-N 1 0 313.239 2.166 10 0 DEAERO C[N@@H+]1CCN(C(=O)c2cc(Br)c[nH]2)CCC1(C)C ZINC000712616481 792193622 /nfs/dbraw/zinc/19/36/22/792193622.db2.gz IUFCZDCBNZGVJD-UHFFFAOYSA-N 1 0 314.227 2.334 10 0 DEAERO [NH3+]CCN(Cc1cncc(Br)c1)CC(F)(F)F ZINC000713364107 792232352 /nfs/dbraw/zinc/23/23/52/792232352.db2.gz RWEYTWHPUOSKPL-UHFFFAOYSA-N 1 0 312.133 2.167 10 0 DEAERO CO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2Br)C12CCC2 ZINC000713505942 792235411 /nfs/dbraw/zinc/23/54/11/792235411.db2.gz KMJYLCLARDIZQT-GHMZBOCLSA-N 1 0 314.227 2.230 10 0 DEAERO Cc1ccc(Br)cc1NC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713795447 792245290 /nfs/dbraw/zinc/24/52/90/792245290.db2.gz PTVOJZFBYGCQEJ-MWLCHTKSSA-N 1 0 313.195 2.060 10 0 DEAERO [NH3+]C[C@@H]1C[C@@H](c2nc(-c3ccc(Br)cc3)no2)CO1 ZINC000714090265 792285044 /nfs/dbraw/zinc/28/50/44/792285044.db2.gz ZIUQWFDJCKPWGY-KOLCDFICSA-N 1 0 324.178 2.330 10 0 DEAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000714244860 792305317 /nfs/dbraw/zinc/30/53/17/792305317.db2.gz UBFABRDZRGFNIZ-MGPQQGTHSA-N 1 0 301.452 2.034 10 0 DEAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000714251149 792305985 /nfs/dbraw/zinc/30/59/85/792305985.db2.gz WGVNNQWWEKXRLH-KYZUINATSA-N 1 0 313.366 2.432 10 0 DEAERO O=S1(=O)CCC[C@H]1CCNCc1occc1Br ZINC000714358907 792311884 /nfs/dbraw/zinc/31/18/84/792311884.db2.gz FYBXUADNZRFULW-VIFPVBQESA-N 1 0 322.224 2.099 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ncc(Br)s1 ZINC000714951741 792374446 /nfs/dbraw/zinc/37/44/46/792374446.db2.gz SQRKCSVBTRCGDO-JGVFFNPUSA-N 1 0 318.240 2.039 10 0 DEAERO O=C(CC(F)(F)C(F)(F)F)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715045030 792378748 /nfs/dbraw/zinc/37/87/48/792378748.db2.gz LNTRBJZQXMTJTO-RKDXNWHRSA-N 1 0 300.271 2.175 10 0 DEAERO [NH3+]C1CC(CNC(=O)CCc2cccc(Br)c2)C1 ZINC000715073321 792379316 /nfs/dbraw/zinc/37/93/16/792379316.db2.gz LXDSIYGSJWUXQA-UHFFFAOYSA-N 1 0 311.223 2.235 10 0 DEAERO CC1(C)OC[C@H](C[NH2+]Cc2ccn(Cc3ccccc3)n2)O1 ZINC000715130029 792380926 /nfs/dbraw/zinc/38/09/26/792380926.db2.gz RUVQFEQVKGWMMI-INIZCTEOSA-N 1 0 301.390 2.173 10 0 DEAERO C[C@H]([NH2+]CC[C@@H]1CCCS1)c1cccc(S(N)(=O)=O)c1 ZINC000715627837 792481447 /nfs/dbraw/zinc/48/14/47/792481447.db2.gz XZYBSYOXRFEFJM-AAEUAGOBSA-N 1 0 314.476 2.270 10 0 DEAERO COC[C@H]([NH3+])Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000716415512 792957888 /nfs/dbraw/zinc/95/78/88/792957888.db2.gz FUEYWDXGDWGHCB-MRVPVSSYSA-N 1 0 301.177 2.090 10 0 DEAERO NC(=O)C1CC([NH2+]Cc2cc(Br)ccc2Cl)C1 ZINC000716714570 793002642 /nfs/dbraw/zinc/00/26/42/793002642.db2.gz BVLOFRZWVGNBLI-UHFFFAOYSA-N 1 0 317.614 2.456 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(C[NH2+]CC[C@H](O)C(F)F)CC1 ZINC000716755395 793004824 /nfs/dbraw/zinc/00/48/24/793004824.db2.gz YZQBRDIIRHCMIR-LBPRGKRZSA-N 1 0 322.396 2.239 10 0 DEAERO CC[C@@H](C[C@@H](C)O)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000716855358 793009865 /nfs/dbraw/zinc/00/98/65/793009865.db2.gz WMACLXHLBSSNGF-MQYQWHSLSA-N 1 0 300.443 2.429 10 0 DEAERO C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000717507571 799419221 /nfs/dbraw/zinc/41/92/21/799419221.db2.gz FWUHLSFQMAOTSZ-MGPQQGTHSA-N 1 0 302.484 2.072 10 0 DEAERO C[C@H](CC[S@](C)=O)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000300062367 799434915 /nfs/dbraw/zinc/43/49/15/799434915.db2.gz MZFQOMHVESIPGI-ZNLKAECVSA-N 1 0 318.483 2.133 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCN2CCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401719632 801844419 /nfs/dbraw/zinc/84/44/19/801844419.db2.gz MVVJIWABFBIGBD-GJZGRUSLSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401776411 801849397 /nfs/dbraw/zinc/84/93/97/801849397.db2.gz SOLCIQBIWDJGKV-MQYQWHSLSA-N 1 0 300.443 2.238 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]CCCn2cc(Br)cn2)CO[C@H]1C ZINC000405649484 802076445 /nfs/dbraw/zinc/07/64/45/802076445.db2.gz QJIHOYPCACTYGM-NHCYSSNCSA-N 1 0 302.216 2.049 10 0 DEAERO C[C@@H]1OC[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)[C@@H]1C ZINC000405719958 802078152 /nfs/dbraw/zinc/07/81/52/802078152.db2.gz UDCCHAUTUPBXRD-XXSPCDMZSA-N 1 0 314.223 2.496 10 0 DEAERO NC(=O)COc1ccc(C[NH2+]CCc2ccccc2F)cc1 ZINC000028311653 1078181564 /nfs/dbraw/zinc/18/15/64/1078181564.db2.gz OADGLPNYEWNARQ-UHFFFAOYSA-N 1 0 302.349 2.022 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)CCCCCC[NH3+])c(F)c1 ZINC000710712936 1086688737 /nfs/dbraw/zinc/68/87/37/1086688737.db2.gz DMKLQJWVJSHBSC-UHFFFAOYSA-N 1 0 302.415 2.274 10 0 DEAERO CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067203487 1079878446 /nfs/dbraw/zinc/87/84/46/1079878446.db2.gz FJBMPUTWGONVJF-INIZCTEOSA-N 1 0 323.481 2.062 10 0 DEAERO O=C1OCCN1CCC[NH2+]Cc1cccc(Br)c1 ZINC000077405719 1080468958 /nfs/dbraw/zinc/46/89/58/1080468958.db2.gz ZFTMZHYBFDATNY-UHFFFAOYSA-N 1 0 313.195 2.381 10 0 DEAERO c1cnn(-c2ccc(C[NH2+]CCCOC[C@H]3CCOC3)cc2)c1 ZINC000077447137 1080473434 /nfs/dbraw/zinc/47/34/34/1080473434.db2.gz RTOFIZLVTYUIIA-QGZVFWFLSA-N 1 0 315.417 2.405 10 0 DEAERO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c1O ZINC000079407096 1080829567 /nfs/dbraw/zinc/82/95/67/1080829567.db2.gz AWNZLLRGSXCTMN-LBPRGKRZSA-N 1 0 322.380 2.034 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)CCC(C)(C)C2CC2)C[C@@H]1C[NH3+] ZINC000717976407 1081854541 /nfs/dbraw/zinc/85/45/41/1081854541.db2.gz OJHIQKJTMLSRJL-OLZOCXBDSA-N 1 0 302.484 2.059 10 0 DEAERO CC(C)(CCS(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000718023709 1081864721 /nfs/dbraw/zinc/86/47/21/1081864721.db2.gz POJXREYLPCEYLM-HIFRSBDPSA-N 1 0 300.468 2.017 10 0 DEAERO COCC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(F)cc1Cl ZINC000721638973 1084013807 /nfs/dbraw/zinc/01/38/07/1084013807.db2.gz URQRPLWDRSJZEC-SNVBAGLBSA-N 1 0 302.777 2.176 10 0 DEAERO CC(C)(C)OC(=O)NC1CCN(CC[NH2+]Cc2ccco2)CC1 ZINC000721932244 1084504397 /nfs/dbraw/zinc/50/43/97/1084504397.db2.gz SBCSMBULUAPDOH-UHFFFAOYSA-N 1 0 323.437 2.358 10 0 DEAERO C[C@@H]1C[C@@H]1C[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000721939226 1084717401 /nfs/dbraw/zinc/71/74/01/1084717401.db2.gz BNBXUMVDAZOHLB-ZIAGYGMSSA-N 1 0 311.470 2.221 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)sc1Cl ZINC000720824805 1086161301 /nfs/dbraw/zinc/16/13/01/1086161301.db2.gz ICYJCMITIZFCFD-QMMMGPOBSA-N 1 0 308.856 2.068 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C[C@H]1CCCOC1)C2 ZINC000701931201 1086395367 /nfs/dbraw/zinc/39/53/67/1086395367.db2.gz MJKMXWKYFVALLH-TUBUQKNSSA-N 1 0 310.438 2.402 10 0 DEAERO O=C(c1cc(Cl)nc(Cl)c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702295766 1086420375 /nfs/dbraw/zinc/42/03/75/1086420375.db2.gz ISBYOSZEEJQVTQ-JTQLQIEISA-N 1 0 300.189 2.309 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(Cc3cncc(Br)c3)C[C@]2(C)C1 ZINC000702411643 1086431126 /nfs/dbraw/zinc/43/11/26/1086431126.db2.gz KCMYHDCSSGFQTH-OCCSQVGLSA-N 1 0 310.239 2.228 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCOCCF)C12CCC2 ZINC000702654065 1086452083 /nfs/dbraw/zinc/45/20/83/1086452083.db2.gz KIBIDPBELRMFRN-OLZOCXBDSA-N 1 0 316.417 2.398 10 0 DEAERO COc1cncc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC000704219394 1086574470 /nfs/dbraw/zinc/57/44/70/1086574470.db2.gz YNPIEIXOOWHDKF-UHFFFAOYSA-N 1 0 309.410 2.483 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[C@@H]1CCSC1 ZINC000704892391 1086597643 /nfs/dbraw/zinc/59/76/43/1086597643.db2.gz NCWNQEWYXQCMJV-NUEKZKHPSA-N 1 0 322.474 2.178 10 0 DEAERO CC1(O)CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000705524261 1086617670 /nfs/dbraw/zinc/61/76/70/1086617670.db2.gz LBSVQNQHNKRMDV-XBMUEBEBSA-N 1 0 318.461 2.171 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@H](NCc2ccncc2Cl)CO1 ZINC000707707209 1086676100 /nfs/dbraw/zinc/67/61/00/1086676100.db2.gz NJKBUYXQRDJNCI-NSHDSACASA-N 1 0 313.785 2.376 10 0 DEAERO CC(C)(C)c1ccc(C[NH2+]C(C)(C)CNS(C)(=O)=O)s1 ZINC000708222347 1086677771 /nfs/dbraw/zinc/67/77/71/1086677771.db2.gz FJBJCHZDDKEQKL-UHFFFAOYSA-N 1 0 318.508 2.463 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000710908407 1086690198 /nfs/dbraw/zinc/69/01/98/1086690198.db2.gz WSIJTKMPZXUYCO-CHWSQXEVSA-N 1 0 314.426 2.031 10 0 DEAERO CC[C@@H](C[NH2+][C@H]1CCC1(OC)OC)NC(=O)OC(C)(C)C ZINC000710959136 1086691123 /nfs/dbraw/zinc/69/11/23/1086691123.db2.gz KXFVLOGWJKXYDQ-RYUDHWBXSA-N 1 0 302.415 2.031 10 0 DEAERO C[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000710985888 1086692241 /nfs/dbraw/zinc/69/22/41/1086692241.db2.gz ZPFGPZTWIFXOHI-GIPNMCIBSA-N 1 0 320.216 2.358 10 0 DEAERO CO[C@@](C)(C[NH2+][C@H]1CCC1(OC)OC)COCc1ccccc1 ZINC000710990577 1086692284 /nfs/dbraw/zinc/69/22/84/1086692284.db2.gz UIQWVTHXJBXCPL-IRXDYDNUSA-N 1 0 323.433 2.349 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000710968974 1086692550 /nfs/dbraw/zinc/69/25/50/1086692550.db2.gz VVUJEXYMAJMMGL-OIISXLGYSA-N 1 0 304.434 2.391 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1ccc(Br)cc1 ZINC000711270081 1087040529 /nfs/dbraw/zinc/04/05/29/1087040529.db2.gz BDSDPFUJIKWVCG-GFCCVEGCSA-N 1 0 311.223 2.311 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000711510484 1087145065 /nfs/dbraw/zinc/14/50/65/1087145065.db2.gz YOAQWCODXNVVLX-BEAPCOKYSA-N 1 0 310.438 2.447 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c(Cl)c1 ZINC000711639477 1087175501 /nfs/dbraw/zinc/17/55/01/1087175501.db2.gz BZNNHBDZDOHJBE-UONOGXRCSA-N 1 0 314.838 2.211 10 0 DEAERO O=C(Cc1cccc(Br)c1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000711697224 1087190955 /nfs/dbraw/zinc/19/09/55/1087190955.db2.gz JXPGXSKIVWDLIX-UKRRQHHQSA-N 1 0 323.234 2.392 10 0 DEAERO C[C@H](CC(=O)NCc1cnc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000718163657 1088394703 /nfs/dbraw/zinc/39/47/03/1088394703.db2.gz HYXGUDAXERSJGI-NXEZZACHSA-N 1 0 301.843 2.439 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2cccc(F)c2Br)C1 ZINC000718500272 1088565021 /nfs/dbraw/zinc/56/50/21/1088565021.db2.gz ZTLFDIVBGGRGTF-UHFFFAOYSA-N 1 0 315.186 2.332 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC000718807778 1088654493 /nfs/dbraw/zinc/65/44/93/1088654493.db2.gz RAFBXWNGFNADBL-SCZZXKLOSA-N 1 0 308.856 2.242 10 0 DEAERO Cc1nc(C[NH2+]CCC2(CO)CC2)sc1Br ZINC000719221971 1088911493 /nfs/dbraw/zinc/91/14/93/1088911493.db2.gz MKXUQROLGZEXIW-UHFFFAOYSA-N 1 0 305.241 2.466 10 0 DEAERO Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)sc1Br ZINC000719303364 1088941337 /nfs/dbraw/zinc/94/13/37/1088941337.db2.gz BFZHACQQJPVXNU-RKDXNWHRSA-N 1 0 305.241 2.465 10 0 DEAERO Cc1nc(CNCC[NH+]2CCCC2)sc1Br ZINC000719304772 1088942614 /nfs/dbraw/zinc/94/26/14/1088942614.db2.gz JIIPNLPRXDNCCK-UHFFFAOYSA-N 1 0 304.257 2.399 10 0 DEAERO Cc1nc(C[NH2+]C[C@@H]2CC[C@H](O)C2)sc1Br ZINC000719303357 1088942712 /nfs/dbraw/zinc/94/27/12/1088942712.db2.gz BFZHACQQJPVXNU-BDAKNGLRSA-N 1 0 305.241 2.465 10 0 DEAERO C[C@@H]1[C@H](NC(=O)c2cscc2Br)CC[N@@H+]1C ZINC000719399046 1089086491 /nfs/dbraw/zinc/08/64/91/1089086491.db2.gz YNWWZCRNISESIF-GMSGAONNSA-N 1 0 303.225 2.333 10 0 DEAERO CON(C)C(=O)C[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719522056 1089284110 /nfs/dbraw/zinc/28/41/10/1089284110.db2.gz BBEFWGHUNJVILC-UHFFFAOYSA-N 1 0 315.211 2.175 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)CCN1C ZINC000719570396 1089305803 /nfs/dbraw/zinc/30/58/03/1089305803.db2.gz OFKGCQFQHZLBLM-HYVNUMGLSA-N 1 0 317.433 2.080 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000719572266 1089308456 /nfs/dbraw/zinc/30/84/56/1089308456.db2.gz UJRAAPJXEAYFQD-GBJTYRQASA-N 1 0 311.470 2.457 10 0 DEAERO CC[C@@H](C(N)=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000720078216 1089458025 /nfs/dbraw/zinc/45/80/25/1089458025.db2.gz NUWPCEWBRUHNBC-IRXDYDNUSA-N 1 0 303.450 2.237 10 0 DEAERO CCON1CCC([NH2+]CCOC(F)(F)C(F)(F)F)CC1 ZINC000720225472 1089536911 /nfs/dbraw/zinc/53/69/11/1089536911.db2.gz RRWCVPUECBGXTD-UHFFFAOYSA-N 1 0 306.275 2.164 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)CN1C1CC1 ZINC000720248384 1089538851 /nfs/dbraw/zinc/53/88/51/1089538851.db2.gz GFJBMXSBNKMOIY-DTWKUNHWSA-N 1 0 302.287 2.373 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc([S@](C)=O)c1 ZINC000136824579 282091212 /nfs/dbraw/zinc/09/12/12/282091212.db2.gz FBPHBXOCUJOMBQ-MZOGBMEOSA-N 1 0 321.446 2.124 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NCCOc2ccccc2)CC1 ZINC000137339456 282095499 /nfs/dbraw/zinc/09/54/99/282095499.db2.gz YAAGESISPJLXBZ-UHFFFAOYSA-N 1 0 319.449 2.485 10 0 DEAERO CCN(CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000139425876 282101021 /nfs/dbraw/zinc/10/10/21/282101021.db2.gz UPIURKHSIXOKRB-KRWDZBQOSA-N 1 0 318.465 2.296 10 0 DEAERO Cn1ncc2c1nc(NCCC[N@H+](C)C1CCCCC1)nc2N ZINC000278362549 214117687 /nfs/dbraw/zinc/11/76/87/214117687.db2.gz KLHFPCKGTLIJDP-UHFFFAOYSA-N 1 0 317.441 2.012 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000278385922 214133636 /nfs/dbraw/zinc/13/36/36/214133636.db2.gz BCATUIGZUXGUJD-QGZVFWFLSA-N 1 0 319.449 2.375 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2OC[C@H]1Sc1nc(C)cc(=O)[nH]1 ZINC000081868631 192332600 /nfs/dbraw/zinc/33/26/00/192332600.db2.gz CBUBRGHCHFNFON-TZMCWYRMSA-N 1 0 303.387 2.304 10 0 DEAERO CCn1c(S[C@@H]2CCCc3ccccc3[C@@H]2[NH3+])n[nH]c1=O ZINC000081879763 192333975 /nfs/dbraw/zinc/33/39/75/192333975.db2.gz QVPPTPNNJSTUMN-OLZOCXBDSA-N 1 0 304.419 2.088 10 0 DEAERO Cc1ccc([C@H]([NH3+])[C@@H](C)Sc2n[nH]c(=O)n2C2CC2)cc1 ZINC000081880284 192334398 /nfs/dbraw/zinc/33/43/98/192334398.db2.gz RHFWWMMMHJKTPW-ZWNOBZJWSA-N 1 0 304.419 2.395 10 0 DEAERO CCn1c(=O)[nH]nc1S[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH2+]C ZINC000081879720 192334516 /nfs/dbraw/zinc/33/45/16/192334516.db2.gz OGHJRMVOZXZBQX-SRVKXCTJSA-N 1 0 312.483 2.486 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1Sc1nnc(C)n1C ZINC000081886242 192334686 /nfs/dbraw/zinc/33/46/86/192334686.db2.gz KQLGVTNEXYQEQY-UONOGXRCSA-N 1 0 304.419 2.327 10 0 DEAERO CCC[NH2+]Cc1cc(Cl)ccc1N(C)C[C@@H](O)COC ZINC000162315807 197559016 /nfs/dbraw/zinc/55/90/16/197559016.db2.gz LJTWPMXXRVOMPD-CQSZACIVSA-N 1 0 300.830 2.283 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000162540917 197573134 /nfs/dbraw/zinc/57/31/34/197573134.db2.gz UGLWPJVWCQBZRN-BBWFWOEESA-N 1 0 302.418 2.243 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2cccc3c2OC(C)(C)C3)CCO1 ZINC000128157445 282127791 /nfs/dbraw/zinc/12/77/91/282127791.db2.gz ACMPAYGTFAOSMZ-MRXNPFEDSA-N 1 0 304.434 2.163 10 0 DEAERO CCC[NH2+]Cc1ccc(Cl)cc1-n1ccc(C(=O)NC)n1 ZINC000163316946 197622372 /nfs/dbraw/zinc/62/23/72/197622372.db2.gz DQSGBESXKXGTJO-UHFFFAOYSA-N 1 0 306.797 2.385 10 0 DEAERO CC[NH2+]CC[C@H](C)c1c(Br)cnn1CCOC ZINC000163653848 197643866 /nfs/dbraw/zinc/64/38/66/197643866.db2.gz DAAACLQEDGYTSG-JTQLQIEISA-N 1 0 304.232 2.395 10 0 DEAERO C[C@@H]([NH3+])CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000081933653 192341409 /nfs/dbraw/zinc/34/14/09/192341409.db2.gz LBJQBPUVWXAEED-SECBINFHSA-N 1 0 306.225 2.350 10 0 DEAERO CCC[C@H]([NH3+])CS(=O)(=O)c1ccccc1Br ZINC000081931333 192341617 /nfs/dbraw/zinc/34/16/17/192341617.db2.gz LFWARCKRFACXOT-VIFPVBQESA-N 1 0 306.225 2.350 10 0 DEAERO CCc1cccc(CC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000152207003 282137897 /nfs/dbraw/zinc/13/78/97/282137897.db2.gz WVCPGPPWLUWXJB-SFHVURJKSA-N 1 0 318.461 2.145 10 0 DEAERO CC[C@@H](C)S(=O)(=O)[C@H]1CCc2cc(OC)ccc2[C@@H]1[NH2+]C ZINC000081936457 192342966 /nfs/dbraw/zinc/34/29/66/192342966.db2.gz YFPIYLUVTNVIMT-RLCCDNCMSA-N 1 0 311.447 2.484 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)CCOC)c1ccc(C)cc1C ZINC000081943822 192344671 /nfs/dbraw/zinc/34/46/71/192344671.db2.gz WJWFAXUFYRDZFS-INIZCTEOSA-N 1 0 313.463 2.405 10 0 DEAERO Cc1cnc([C@H](C)NC(=O)N2CCC[N@@H+](C3CC3)CC2)s1 ZINC000079086408 185155633 /nfs/dbraw/zinc/15/56/33/185155633.db2.gz QKBJTHFORARQMW-LBPRGKRZSA-N 1 0 308.451 2.392 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](c1ccco1)N(C)C ZINC000079192876 185161391 /nfs/dbraw/zinc/16/13/91/185161391.db2.gz JDYJITTWPUNIRP-HUUCEWRRSA-N 1 0 324.469 2.158 10 0 DEAERO CCC[C@@H](CC[NH3+])CCC(=O)N(CC(=O)OCC)C(C)C ZINC000079239158 185162248 /nfs/dbraw/zinc/16/22/48/185162248.db2.gz WZLGMLZRAWTFRA-CQSZACIVSA-N 1 0 300.443 2.332 10 0 DEAERO C[N@@H+]1CCC[C@H](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000082315254 185175366 /nfs/dbraw/zinc/17/53/66/185175366.db2.gz XPLMQSMPDGBXBM-OAHLLOKOSA-N 1 0 319.424 2.206 10 0 DEAERO CCN(C(=O)c1sccc1Br)[C@@H]1CC[NH2+]C1 ZINC000082614197 185191276 /nfs/dbraw/zinc/19/12/76/185191276.db2.gz IDDQRAHYJTVLJP-MRVPVSSYSA-N 1 0 303.225 2.335 10 0 DEAERO C[N@@H+]1CCO[C@@H]2CN(c3ncc(-c4ccccc4)s3)C[C@@H]21 ZINC000153158131 282163097 /nfs/dbraw/zinc/16/30/97/282163097.db2.gz DGVMYAAFOYCAOD-UONOGXRCSA-N 1 0 301.415 2.329 10 0 DEAERO CC(C)(C)OC(=O)N1CCN(c2cccc3c2CC[NH2+]C3)CC1 ZINC000082792618 185204004 /nfs/dbraw/zinc/20/40/04/185204004.db2.gz VZTIJDATARWPGU-UHFFFAOYSA-N 1 0 317.433 2.389 10 0 DEAERO COc1ccc(Br)c(CN[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358086101 536628945 /nfs/dbraw/zinc/62/89/45/536628945.db2.gz WLFDAGVAEUNFBM-YGRLFVJLSA-N 1 0 313.239 2.497 10 0 DEAERO CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H](F)CN2c2cccnn2)CCO1 ZINC000330010798 529426235 /nfs/dbraw/zinc/42/62/35/529426235.db2.gz HHZWZEMEKXFAHZ-YHUYYLMFSA-N 1 0 322.428 2.188 10 0 DEAERO [NH3+][C@@H](c1cc(Cl)sc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000082998650 185210561 /nfs/dbraw/zinc/21/05/61/185210561.db2.gz SGUFCVBSFXMDCE-SVGQVSJJSA-N 1 0 300.232 2.489 10 0 DEAERO [NH3+][C@H](c1cc(Cl)sc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000082998652 185210625 /nfs/dbraw/zinc/21/06/25/185210625.db2.gz SGUFCVBSFXMDCE-XRGYYRRGSA-N 1 0 300.232 2.489 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000165267593 197673082 /nfs/dbraw/zinc/67/30/82/197673082.db2.gz GWTVNODWWTVNSO-ZIAGYGMSSA-N 1 0 314.495 2.265 10 0 DEAERO O=C(C[C@H]1CCCCC(=O)N1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000328679828 231305308 /nfs/dbraw/zinc/30/53/08/231305308.db2.gz UEULUOMARFBBDV-LSDHHAIUSA-N 1 0 307.438 2.220 10 0 DEAERO CC(C)[C@H](C[NH3+])NC(=O)c1ccc(Br)cc1F ZINC000087403311 185223510 /nfs/dbraw/zinc/22/35/10/185223510.db2.gz NKYDQBRXCSEPAR-NSHDSACASA-N 1 0 303.175 2.301 10 0 DEAERO CCc1nn(CC)c(C[C@H]([NH3+])C2(OC)CCOCC2)c1Cl ZINC000165400013 197674761 /nfs/dbraw/zinc/67/47/61/197674761.db2.gz TYLKJVOJGIJZOS-ZDUSSCGKSA-N 1 0 315.845 2.184 10 0 DEAERO COC(=O)c1c(NC(=O)[C@H](C[NH3+])C(C)C)sc2c1CCC2 ZINC000087532942 185227593 /nfs/dbraw/zinc/22/75/93/185227593.db2.gz GTFBDMKXKUEKKN-SNVBAGLBSA-N 1 0 310.419 2.193 10 0 DEAERO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)sc1Br ZINC000087654693 185229743 /nfs/dbraw/zinc/22/97/43/185229743.db2.gz YIFLXQWQQGTHTE-MRVPVSSYSA-N 1 0 303.225 2.158 10 0 DEAERO C[C@H](CC[NH3+])C(=O)Nc1cccc(I)c1 ZINC000087635102 185229834 /nfs/dbraw/zinc/22/98/34/185229834.db2.gz LOGNQICSXIYNQV-MRVPVSSYSA-N 1 0 318.158 2.215 10 0 DEAERO C[C@@H](CC[NH3+])C(=O)Nc1ccc(I)cc1 ZINC000087635099 185229930 /nfs/dbraw/zinc/22/99/30/185229930.db2.gz PPSVGZKKDWCELB-QMMMGPOBSA-N 1 0 318.158 2.215 10 0 DEAERO NNc1nc(OCCc2cccs2)c(Br)c[nH+]1 ZINC000087886224 185234795 /nfs/dbraw/zinc/23/47/95/185234795.db2.gz LUFCQQNQZIULSA-UHFFFAOYSA-N 1 0 315.196 2.208 10 0 DEAERO C[C@@H]1C[C@@H](C)CN(c2nc(NN)[nH+]cc2Br)C1 ZINC000087897150 185235692 /nfs/dbraw/zinc/23/56/92/185235692.db2.gz WVBCOHZNRGFSJG-HTQZYQBOSA-N 1 0 300.204 2.007 10 0 DEAERO CC[C@@H]1CCCCN1c1nc(NN)[nH+]cc1Br ZINC000087905605 185237198 /nfs/dbraw/zinc/23/71/98/185237198.db2.gz VAPYHNHZMWZXGW-MRVPVSSYSA-N 1 0 300.204 2.294 10 0 DEAERO COc1ccc(C[C@](C)(C[NH3+])NCC(F)(F)F)cc1OC ZINC000087929629 185237521 /nfs/dbraw/zinc/23/75/21/185237521.db2.gz ZCBRXYIPBMMCTB-CYBMUJFWSA-N 1 0 306.328 2.116 10 0 DEAERO [NH3+]C[C@@H](NCC(F)(F)F)c1cc(Cl)c2c(c1)OCCO2 ZINC000087929569 185237580 /nfs/dbraw/zinc/23/75/80/185237580.db2.gz DPGKSTRTQHDJMZ-SECBINFHSA-N 1 0 310.703 2.263 10 0 DEAERO OC1(CSc2ncccc2Br)CC[NH2+]CC1 ZINC000087970023 185237703 /nfs/dbraw/zinc/23/77/03/185237703.db2.gz UWUJLHDMAYYXIH-UHFFFAOYSA-N 1 0 303.225 2.051 10 0 DEAERO CCOCCN(C)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000087975929 185237766 /nfs/dbraw/zinc/23/77/66/185237766.db2.gz YNFTXXGQFCWZHY-SECBINFHSA-N 1 0 307.257 2.479 10 0 DEAERO C[C@@H]([NH3+])CCS(=O)(=O)Cc1cccc(Br)c1 ZINC000088077601 185238785 /nfs/dbraw/zinc/23/87/85/185238785.db2.gz FVYRPOUSRGMLJV-SECBINFHSA-N 1 0 306.225 2.101 10 0 DEAERO C[C@H](C[NH3+])C[S@@](=O)Cc1ccc(F)cc1Br ZINC000088089539 185239327 /nfs/dbraw/zinc/23/93/27/185239327.db2.gz QJYNHQKPCHCRSH-BCTVWOGZSA-N 1 0 308.216 2.432 10 0 DEAERO COc1ccc(Br)cc1C[C@@H]([NH3+])[C@@H]1CCOC1 ZINC000087804411 185232623 /nfs/dbraw/zinc/23/26/23/185232623.db2.gz XLYBFBCDQUSZPJ-BXKDBHETSA-N 1 0 300.196 2.364 10 0 DEAERO CCNC(=O)[C@H](C)n1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837108 185233069 /nfs/dbraw/zinc/23/30/69/185233069.db2.gz RWJUBCMGTGORID-ZETCQYMHSA-N 1 0 311.183 2.078 10 0 DEAERO C[C@@H]1CCC[C@H](Oc2nc(NN)[nH+]cc2Br)C1 ZINC000087877374 185234011 /nfs/dbraw/zinc/23/40/11/185234011.db2.gz PYPXKTWAFUEDHV-SFYZADRCSA-N 1 0 301.188 2.482 10 0 DEAERO Cc1ccc(Nc2cc(NN)[nH+]c(N)n2)cc1Br ZINC000087876872 185234213 /nfs/dbraw/zinc/23/42/13/185234213.db2.gz IKDCXXKYHUUOEW-UHFFFAOYSA-N 1 0 309.171 2.159 10 0 DEAERO CCC[NH2+][C@H]1CCCc2c(OCCS(C)(=O)=O)cccc21 ZINC000088152333 185240637 /nfs/dbraw/zinc/24/06/37/185240637.db2.gz KOPDRAVGWHAWDC-HNNXBMFYSA-N 1 0 311.447 2.487 10 0 DEAERO C[N@@H+]1CCCC[C@H]1COc1ncc(Br)cc1N ZINC000088165382 185240937 /nfs/dbraw/zinc/24/09/37/185240937.db2.gz DLIDTXJDZVOKIZ-JTQLQIEISA-N 1 0 300.200 2.289 10 0 DEAERO CCc1cc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)n(C)n1 ZINC000181942035 529546634 /nfs/dbraw/zinc/54/66/34/529546634.db2.gz VZNLHGNMOOIJSS-UONOGXRCSA-N 1 0 305.426 2.073 10 0 DEAERO CCn1ccnc(N2CCC([NH2+]Cc3ccsc3)CC2)c1=O ZINC000328643573 529548136 /nfs/dbraw/zinc/54/81/36/529548136.db2.gz RKVMITOKRWCCNK-UHFFFAOYSA-N 1 0 318.446 2.083 10 0 DEAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)cc1Br ZINC000088122562 185240161 /nfs/dbraw/zinc/24/01/61/185240161.db2.gz DLSJEWLIJMTXGO-MRVPVSSYSA-N 1 0 307.575 2.015 10 0 DEAERO CN1CC[N@H+](CC2(CC(N)=S)CC2)[C@H](c2ccccc2)C1 ZINC000088256856 185244117 /nfs/dbraw/zinc/24/41/17/185244117.db2.gz BAEBRYOTLQERJA-HNNXBMFYSA-N 1 0 303.475 2.432 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000088321284 185245383 /nfs/dbraw/zinc/24/53/83/185245383.db2.gz ASCNPEKZDVXVAD-NSHDSACASA-N 1 0 301.184 2.380 10 0 DEAERO C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000088455651 185251706 /nfs/dbraw/zinc/25/17/06/185251706.db2.gz OSPVYOOASRXOQO-LLVKDONJSA-N 1 0 308.447 2.421 10 0 DEAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCc2sccc2C1 ZINC000088397562 185248365 /nfs/dbraw/zinc/24/83/65/185248365.db2.gz PXKPPXINHZTFLR-JKSUJKDBSA-N 1 0 302.443 2.037 10 0 DEAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)CN1CCc2sccc2C1 ZINC000088397565 185248388 /nfs/dbraw/zinc/24/83/88/185248388.db2.gz PXKPPXINHZTFLR-CVEARBPZSA-N 1 0 302.443 2.037 10 0 DEAERO C[C@H]1CCC[C@]([NH3+])(C(=O)Nc2cnc(Br)cn2)C1 ZINC000088446383 185251303 /nfs/dbraw/zinc/25/13/03/185251303.db2.gz VAJOOEOHERGNSX-QPUJVOFHSA-N 1 0 313.199 2.085 10 0 DEAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)Nc1cnc(Br)cn1 ZINC000088446425 185251339 /nfs/dbraw/zinc/25/13/39/185251339.db2.gz FFPWGGJFCDVOHH-DTWKUNHWSA-N 1 0 315.215 2.331 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC(C)(C)CC2)o1 ZINC000088544542 185256988 /nfs/dbraw/zinc/25/69/88/185256988.db2.gz ICLKCJTXVOGIOI-UHFFFAOYSA-N 1 0 300.424 2.200 10 0 DEAERO CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)NC)o2)[C@@H]1C ZINC000088540951 185255749 /nfs/dbraw/zinc/25/57/49/185255749.db2.gz VUTVXQLRYLQYBY-WZRBSPASSA-N 1 0 300.424 2.102 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)CC)o1 ZINC000088542908 185256086 /nfs/dbraw/zinc/25/60/86/185256086.db2.gz RBHICWPDJULRCL-RYUDHWBXSA-N 1 0 302.440 2.492 10 0 DEAERO CCCCCNS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088542009 185256496 /nfs/dbraw/zinc/25/64/96/185256496.db2.gz KLYKBZPFHORPOV-UHFFFAOYSA-N 1 0 302.440 2.494 10 0 DEAERO C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000088704766 185262700 /nfs/dbraw/zinc/26/27/00/185262700.db2.gz NVFOBKMUDIOJJC-WDEREUQCSA-N 1 0 300.399 2.094 10 0 DEAERO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1cccc(C(N)=S)c1 ZINC000088704648 185262732 /nfs/dbraw/zinc/26/27/32/185262732.db2.gz JEWOBFPBHHBWCK-NWDGAFQWSA-N 1 0 305.447 2.380 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NCCCC(C)C)o1 ZINC000088550704 185257673 /nfs/dbraw/zinc/25/76/73/185257673.db2.gz WSNNZFUEZAAHIM-UHFFFAOYSA-N 1 0 302.440 2.494 10 0 DEAERO C[NH2+]C[C@H](Cc1ncnn1C)Cc1ccc(Br)cc1 ZINC000088583070 185258626 /nfs/dbraw/zinc/25/86/26/185258626.db2.gz JDGPYLQSZOWQMU-LBPRGKRZSA-N 1 0 323.238 2.198 10 0 DEAERO Cc1ccc2c(N)c(C(=O)N(C)CCC[NH+](C)C)sc2n1 ZINC000088643715 185261509 /nfs/dbraw/zinc/26/15/09/185261509.db2.gz XOHAZXNUYUQFAJ-UHFFFAOYSA-N 1 0 306.435 2.211 10 0 DEAERO CC[NH2+][C@@H](C)c1nnc(-c2ccc(S(C)(=O)=O)cc2)s1 ZINC000088821360 185266575 /nfs/dbraw/zinc/26/65/75/185266575.db2.gz CRLSEYMKOHTSFF-VIFPVBQESA-N 1 0 311.432 2.279 10 0 DEAERO CCC[NH2+][C@H](CC)c1nnc(C(C)(C)S(C)(=O)=O)s1 ZINC000088826312 185266583 /nfs/dbraw/zinc/26/65/83/185266583.db2.gz XKINNDPKOMWCAB-SECBINFHSA-N 1 0 305.469 2.269 10 0 DEAERO CCC[C@@H](c1nc(C)c(C(=O)OCC)s1)N1CC[NH2+]CC1 ZINC000088870311 185267577 /nfs/dbraw/zinc/26/75/77/185267577.db2.gz TXESICKTRUENOC-LBPRGKRZSA-N 1 0 311.451 2.375 10 0 DEAERO [NH3+]Cc1cccc(S(=O)(=O)Nc2c(F)cc(F)cc2F)c1 ZINC000088721050 185263258 /nfs/dbraw/zinc/26/32/58/185263258.db2.gz NQJIZKWGSYEVRN-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO CCc1ccc([C@@H]([NH3+])[C@H](C)S(=O)(=O)C2CCOCC2)cc1 ZINC000081989766 192350212 /nfs/dbraw/zinc/35/02/12/192350212.db2.gz AAISSSNPYWDYSA-LRDDRELGSA-N 1 0 311.447 2.231 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cnc2ccsc2c1 ZINC000090025380 185278480 /nfs/dbraw/zinc/27/84/80/185278480.db2.gz HOKFBLIZPBOLCD-SKDRFNHKSA-N 1 0 303.387 2.094 10 0 DEAERO C[C@@](O)(CO)C[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000090285196 185289230 /nfs/dbraw/zinc/28/92/30/185289230.db2.gz XFFOIXZDJRQTQR-YPMHNXCESA-N 1 0 306.189 2.150 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1Cc1nc(-c2cccs2)no1 ZINC000090337439 185291802 /nfs/dbraw/zinc/29/18/02/185291802.db2.gz SKGUOASUYSUUCA-QWRGUYRKSA-N 1 0 304.419 2.228 10 0 DEAERO C[C@H](C[NH3+])CSCC(=O)Nc1ccc(Br)cn1 ZINC000090350145 185292201 /nfs/dbraw/zinc/29/22/01/185292201.db2.gz UYQZAACVZNQAAM-MRVPVSSYSA-N 1 0 318.240 2.111 10 0 DEAERO C[C@H](CC[NH3+])SCC(=O)NC(=O)c1ccccc1Cl ZINC000090355075 185292435 /nfs/dbraw/zinc/29/24/35/185292435.db2.gz UELIFXXYGVMUJX-SECBINFHSA-N 1 0 300.811 2.067 10 0 DEAERO CN(C[C@@H]1CCOC1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179260702 282221552 /nfs/dbraw/zinc/22/15/52/282221552.db2.gz KTZFTRYBLORYOD-XIRDDKMYSA-N 1 0 317.433 2.110 10 0 DEAERO C[NH+]1CCN(CCOc2ccc(Br)c(F)c2)CC1 ZINC000090505098 185299469 /nfs/dbraw/zinc/29/94/69/185299469.db2.gz YUCGPLDILIGQJO-UHFFFAOYSA-N 1 0 317.202 2.214 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)cc1OC ZINC000090514216 185300026 /nfs/dbraw/zinc/30/00/26/185300026.db2.gz MYAHBAAIHJNCKC-OYMPBJRDSA-N 1 0 313.463 2.382 10 0 DEAERO CCCOc1ccc(NC(=O)[C@@H]2COC[C@@H]2[NH2+]C)cc1Cl ZINC000090434320 185296216 /nfs/dbraw/zinc/29/62/16/185296216.db2.gz JUZQDJNOOUZHKJ-YPMHNXCESA-N 1 0 312.797 2.302 10 0 DEAERO CC[C@H]([NH3+])C[S@](=O)CCOc1ccc(Br)cc1 ZINC000166715404 197696701 /nfs/dbraw/zinc/69/67/01/197696701.db2.gz XBCNUBFKNHFZAB-GTNSWQLSSA-N 1 0 320.252 2.314 10 0 DEAERO O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333566852 282957677 /nfs/dbraw/zinc/95/76/77/282957677.db2.gz MAFJKGZSRCXHOU-ZACQAIPSSA-N 1 0 317.433 2.348 10 0 DEAERO Cc1cccc(Cl)c1NS(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000090538188 185301546 /nfs/dbraw/zinc/30/15/46/185301546.db2.gz ZPGJYLAUFKCIDH-UHFFFAOYSA-N 1 0 312.782 2.130 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(F)c(F)cc1F ZINC000090544839 185302177 /nfs/dbraw/zinc/30/21/77/185302177.db2.gz COLSQPYFAOHXDV-SDBXPKJASA-N 1 0 302.296 2.057 10 0 DEAERO C[C@@]1(c2nc(-c3ccc(Br)cc3)no2)COC[C@@H]1[NH3+] ZINC000090573319 185304457 /nfs/dbraw/zinc/30/44/57/185304457.db2.gz GSDMEUJYBQNVKN-GXFFZTMASA-N 1 0 324.178 2.114 10 0 DEAERO CC(C)([NH3+])C[S@@](=O)CCOc1ccc(Br)cc1 ZINC000166646437 197696356 /nfs/dbraw/zinc/69/63/56/197696356.db2.gz ZCUIVNAHUAIDEY-QGZVFWFLSA-N 1 0 320.252 2.314 10 0 DEAERO Cc1ccc(OCC(=O)N2CCCSC[C@@H]2C[NH+](C)C)cc1 ZINC000090699944 185310435 /nfs/dbraw/zinc/31/04/35/185310435.db2.gz WHDMOZPBXSEQKF-HNNXBMFYSA-N 1 0 322.474 2.270 10 0 DEAERO CN(C)c1ccc(C(=O)N2CCCSC[C@H]2C[NH+](C)C)cc1 ZINC000090700132 185310641 /nfs/dbraw/zinc/31/06/41/185310641.db2.gz KOBGYZMZUNODIG-MRXNPFEDSA-N 1 0 321.490 2.262 10 0 DEAERO CCCS(=O)(=O)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000090701808 185310709 /nfs/dbraw/zinc/31/07/09/185310709.db2.gz HKFOZFAXEDVOTF-AWEZNQCLSA-N 1 0 320.524 2.020 10 0 DEAERO CC[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cnn(C)c1 ZINC000090666670 185308472 /nfs/dbraw/zinc/30/84/72/185308472.db2.gz PUDCDAHVCWLVJD-LLVKDONJSA-N 1 0 301.316 2.413 10 0 DEAERO COc1cccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1F ZINC000090680241 185309329 /nfs/dbraw/zinc/30/93/29/185309329.db2.gz SBFNOKIFZFGBFM-CYBMUJFWSA-N 1 0 306.381 2.392 10 0 DEAERO CCS(=O)(=O)CCC[C@]1([NH3+])CCCc2ccc(OC)cc21 ZINC000092367304 185314284 /nfs/dbraw/zinc/31/42/84/185314284.db2.gz SJJNSQDLLRBYCO-MRXNPFEDSA-N 1 0 311.447 2.400 10 0 DEAERO CC[C@H](C)S(=O)(=O)[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C ZINC000092388631 185315242 /nfs/dbraw/zinc/31/52/42/185315242.db2.gz NBWWPRGSXZRZGX-UVBJJODRSA-N 1 0 311.447 2.484 10 0 DEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1S(=O)(=O)C(C)C ZINC000092388711 185315465 /nfs/dbraw/zinc/31/54/65/185315465.db2.gz LTHAXVYQLVLWGJ-JKSUJKDBSA-N 1 0 311.447 2.484 10 0 DEAERO COCC[NH2+]CC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000092495564 185322373 /nfs/dbraw/zinc/32/23/73/185322373.db2.gz BLWKMPAMHLHXLH-SNVBAGLBSA-N 1 0 304.312 2.119 10 0 DEAERO CC(C)c1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc(=O)[nH]1 ZINC000181375751 199287139 /nfs/dbraw/zinc/28/71/39/199287139.db2.gz FJWKWXQSOLZGGF-TZMCWYRMSA-N 1 0 303.406 2.219 10 0 DEAERO COCC[NH2+]CC(=O)Nc1cc(Br)ccc1Cl ZINC000092510021 185323181 /nfs/dbraw/zinc/32/31/81/185323181.db2.gz ZITNXINUTBKKCP-UHFFFAOYSA-N 1 0 321.602 2.277 10 0 DEAERO C[C@@H](C[NH3+])CS(=O)(=O)Cc1ccc(F)cc1Br ZINC000167348820 197707232 /nfs/dbraw/zinc/70/72/32/197707232.db2.gz GWSCDWASEVRITG-QMMMGPOBSA-N 1 0 324.215 2.098 10 0 DEAERO COc1ccc(C[NH+]2CCC(n3cncn3)CC2)c(OC)c1 ZINC000092647530 185330934 /nfs/dbraw/zinc/33/09/34/185330934.db2.gz ASCHWBFNIWOCHE-UHFFFAOYSA-N 1 0 302.378 2.132 10 0 DEAERO Cc1ccc(CCC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000184358675 282252839 /nfs/dbraw/zinc/25/28/39/282252839.db2.gz YZMNLWQTFLJELV-QGZVFWFLSA-N 1 0 317.477 2.070 10 0 DEAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2c(CC)nn(C)c2CC)C1 ZINC000092708757 185335157 /nfs/dbraw/zinc/33/51/57/185335157.db2.gz ZNSXSONLEOMWND-AWEZNQCLSA-N 1 0 320.481 2.426 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]Cc2cnc3ccccn23)C12CCOCC2 ZINC000185663353 282264100 /nfs/dbraw/zinc/26/41/00/282264100.db2.gz NKCGHIYWHBMHIR-HOTGVXAUSA-N 1 0 315.417 2.398 10 0 DEAERO COc1cc([C@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)ccc1F ZINC000092825391 185344304 /nfs/dbraw/zinc/34/43/04/185344304.db2.gz WNPOSKMPVSDBJI-CMPLNLGQSA-N 1 0 301.383 2.062 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000168400521 197722399 /nfs/dbraw/zinc/72/23/99/197722399.db2.gz GIVZEQBCRVYHDN-PEYYIBSZSA-N 1 0 307.825 2.035 10 0 DEAERO CC(C)Oc1cccc(C(=O)Nc2ccc(OCC[NH3+])cc2)n1 ZINC000181431072 199296212 /nfs/dbraw/zinc/29/62/12/199296212.db2.gz XDQJNVPRXAZCMT-UHFFFAOYSA-N 1 0 315.373 2.459 10 0 DEAERO C[C@@]1(C(=O)Cc2cc(F)ccc2Br)COC[C@@H]1[NH3+] ZINC000168457136 197723500 /nfs/dbraw/zinc/72/35/00/197723500.db2.gz VYMJDUGDXQDWCG-WCQYABFASA-N 1 0 316.170 2.064 10 0 DEAERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccn2)CC1 ZINC000187667473 282288142 /nfs/dbraw/zinc/28/81/42/282288142.db2.gz BSLFFFOVYUTMGD-UHFFFAOYSA-N 1 0 319.449 2.320 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000188005624 282295573 /nfs/dbraw/zinc/29/55/73/282295573.db2.gz KPGHFRBRYHXQRK-MEDUHNTESA-N 1 0 312.360 2.386 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC1CCN(C(C)=O)CC1 ZINC000080203260 539376713 /nfs/dbraw/zinc/37/67/13/539376713.db2.gz BQGMSMNEZINOJJ-KRWDZBQOSA-N 1 0 323.481 2.016 10 0 DEAERO CSCCCCCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000614179344 362309494 /nfs/dbraw/zinc/30/94/94/362309494.db2.gz PIACQTQNWRGZQI-UHFFFAOYSA-N 1 0 313.471 2.100 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)sc1C ZINC000193810106 282357597 /nfs/dbraw/zinc/35/75/97/282357597.db2.gz DBYGMKPJQFQXML-LBPRGKRZSA-N 1 0 302.465 2.128 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCC(C)(C)c1ccncc1 ZINC000091701760 539421288 /nfs/dbraw/zinc/42/12/88/539421288.db2.gz FMWFOPSNRXLVSR-CQSZACIVSA-N 1 0 306.454 2.389 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC1CCC(C)CC1 ZINC000245415108 282386262 /nfs/dbraw/zinc/38/62/62/282386262.db2.gz CZIBZFVCGHFKNC-GQGLESIBSA-N 1 0 307.482 2.240 10 0 DEAERO Clc1ccc([C@H](C[NH2+][C@H]2CCCOC2)N2CCOCC2)cc1 ZINC000119803735 539447868 /nfs/dbraw/zinc/44/78/68/539447868.db2.gz TVBQWIOSCZCSEE-IRXDYDNUSA-N 1 0 324.852 2.482 10 0 DEAERO COC1CCC(CCNC(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000333788409 282965938 /nfs/dbraw/zinc/96/59/38/282965938.db2.gz MCEAPCGFPOMISE-UHFFFAOYSA-N 1 0 323.481 2.367 10 0 DEAERO [NH3+]CCC[C@@H]1CCCN1c1ccccc1S(=O)(=O)C(F)F ZINC000111379798 185590727 /nfs/dbraw/zinc/59/07/27/185590727.db2.gz YLQUYYJUAYUWOV-LLVKDONJSA-N 1 0 318.389 2.391 10 0 DEAERO COc1ccc(C[C@H](C)C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000132413020 539502863 /nfs/dbraw/zinc/50/28/63/539502863.db2.gz NAOGCDJAUYWDDB-AWEZNQCLSA-N 1 0 304.434 2.426 10 0 DEAERO O=C1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2Cl)N1 ZINC000135189139 539514336 /nfs/dbraw/zinc/51/43/36/539514336.db2.gz WIIIFPSWXCGZNH-JTQLQIEISA-N 1 0 317.614 2.471 10 0 DEAERO C[C@H]([NH3+])c1cccc(NC(=O)NCCOCC(F)(F)F)c1 ZINC000111645913 185620346 /nfs/dbraw/zinc/62/03/46/185620346.db2.gz ROIQSMHFBDRRLZ-VIFPVBQESA-N 1 0 305.300 2.407 10 0 DEAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1 ZINC000111715518 185629873 /nfs/dbraw/zinc/62/98/73/185629873.db2.gz HFCSVQPYKYMXTB-GOEBONIOSA-N 1 0 310.463 2.369 10 0 DEAERO O=C(CCOC1CC[NH2+]CC1)Nc1nc2ccccc2s1 ZINC000111799861 185638026 /nfs/dbraw/zinc/63/80/26/185638026.db2.gz WXXXODSICKVIBM-UHFFFAOYSA-N 1 0 305.403 2.394 10 0 DEAERO CC[NH2+][C@@](C)(C[C@H](C)Sc1nc2ccccc2[nH]1)C(N)=O ZINC000068635409 190779897 /nfs/dbraw/zinc/77/98/97/190779897.db2.gz ZVSQSQWQKMPCOF-BONVTDFDSA-N 1 0 306.435 2.287 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(Br)c(F)c2)CCO1 ZINC000123808815 185844512 /nfs/dbraw/zinc/84/45/12/185844512.db2.gz PCCNORSMKZEHSG-RNCFNFMXSA-N 1 0 317.202 2.136 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(Br)cc2)n1 ZINC000263266478 282973799 /nfs/dbraw/zinc/97/37/99/282973799.db2.gz RQCIVPBTDIQFHE-LLVKDONJSA-N 1 0 323.194 2.075 10 0 DEAERO C[C@H]1CCC[C@@H](C[NH3+])N1S(=O)(=O)c1cccc(Cl)c1 ZINC000070153543 190863084 /nfs/dbraw/zinc/86/30/84/190863084.db2.gz HMRJBWUKEQMHNS-JQWIXIFHSA-N 1 0 302.827 2.230 10 0 DEAERO COC(=O)c1cnc(-c2cccc(F)c2)nc1[C@H]1CCC[NH2+]1 ZINC000616579299 362894273 /nfs/dbraw/zinc/89/42/73/362894273.db2.gz QBGQDEVIEXLYIK-CYBMUJFWSA-N 1 0 301.321 2.494 10 0 DEAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000616636440 362902197 /nfs/dbraw/zinc/90/21/97/362902197.db2.gz SLOUDSGFPFOVKY-HNNXBMFYSA-N 1 0 323.412 2.297 10 0 DEAERO O=C(C/C=C\c1cccc(F)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000255017301 282608082 /nfs/dbraw/zinc/60/80/82/282608082.db2.gz CKOOVHWEKAJQHX-WVRJYTFGSA-N 1 0 320.408 2.192 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)cc1OC ZINC000180881677 539647254 /nfs/dbraw/zinc/64/72/54/539647254.db2.gz MSBAIZXMCKCYNW-RYUDHWBXSA-N 1 0 315.435 2.035 10 0 DEAERO CC(=O)NC[C@H]1CCC[N@@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000181662587 539652561 /nfs/dbraw/zinc/65/25/61/539652561.db2.gz WNJDWCNHEYVUKA-QGZVFWFLSA-N 1 0 321.440 2.106 10 0 DEAERO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183203822 539660512 /nfs/dbraw/zinc/66/05/12/539660512.db2.gz GUTMNIMSNXDERB-YDHLFZDLSA-N 1 0 306.406 2.488 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(F)cc3)C2=O)n(C)n1 ZINC000080526215 192165073 /nfs/dbraw/zinc/16/50/73/192165073.db2.gz IVMCHYQVGMHMIY-HNNXBMFYSA-N 1 0 316.380 2.153 10 0 DEAERO C[NH2+][C@H]1CCCN(c2cccc(I)c2)C1 ZINC000070584951 190908371 /nfs/dbraw/zinc/90/83/71/190908371.db2.gz CELKEPXRHYNEAS-NSHDSACASA-N 1 0 316.186 2.479 10 0 DEAERO CNC(=O)[C@H]([NH2+]CCCc1nc(-c2ccccc2)no1)C(C)C ZINC000183663532 539663838 /nfs/dbraw/zinc/66/38/38/539663838.db2.gz AKBLWSQGNYKHJO-OAHLLOKOSA-N 1 0 316.405 2.029 10 0 DEAERO CNc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc(Cl)n1 ZINC000083552803 192372669 /nfs/dbraw/zinc/37/26/69/192372669.db2.gz CCLQVQBLYLHJGX-ZYHUDNBSSA-N 1 0 308.813 2.085 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)N(C)Cc1csc(Br)c1 ZINC000083604971 192375900 /nfs/dbraw/zinc/37/59/00/192375900.db2.gz SGJCSEYOZICUCY-VIFPVBQESA-N 1 0 305.241 2.454 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ncc(Br)s1 ZINC000189080648 539686659 /nfs/dbraw/zinc/68/66/59/539686659.db2.gz VBOQYOBKGXRRRQ-QMMMGPOBSA-N 1 0 320.256 2.366 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000071310076 190955583 /nfs/dbraw/zinc/95/55/83/190955583.db2.gz IVDACMIBNULMMU-LLVKDONJSA-N 1 0 314.227 2.095 10 0 DEAERO CC[C@@H]1CN(Cc2cccc(OC)c2F)CC[N@@H+]1C[C@@H](C)O ZINC000192950773 539710070 /nfs/dbraw/zinc/71/00/70/539710070.db2.gz XQSIPOWJYXZJBV-UKRRQHHQSA-N 1 0 310.413 2.111 10 0 DEAERO C[NH2+][C@H](Cc1cc(Br)cs1)[C@H]1COCCO1 ZINC000083743399 192380604 /nfs/dbraw/zinc/38/06/04/192380604.db2.gz LPZITHKCCPQEIH-GHMZBOCLSA-N 1 0 306.225 2.057 10 0 DEAERO CC(C)c1nc(C2(NC(=O)CCc3c[nH]cn3)CCCC2)no1 ZINC000193436183 539713687 /nfs/dbraw/zinc/71/36/87/539713687.db2.gz XZSPLMKBODTBRH-UHFFFAOYSA-N 1 0 317.393 2.434 10 0 DEAERO C[NH2+]C[C@H](C)OCc1ccc(I)cc1 ZINC000083849798 192386695 /nfs/dbraw/zinc/38/66/95/192386695.db2.gz DNXNDFXCJYNXTF-VIFPVBQESA-N 1 0 305.159 2.416 10 0 DEAERO [NH3+][C@H](Cc1ccc(I)cc1)[C@@H]1CCOC1 ZINC000083850950 192386775 /nfs/dbraw/zinc/38/67/75/192386775.db2.gz SMDPUFZEKZWZOO-ZYHUDNBSSA-N 1 0 317.170 2.198 10 0 DEAERO C[NH2+][C@@H](C[S@](=O)C1CCOCC1)c1cc(C)ccc1OC ZINC000084054747 192397468 /nfs/dbraw/zinc/39/74/68/192397468.db2.gz IVBDMLGNCIRDSG-YCRPNKLZSA-N 1 0 311.447 2.192 10 0 DEAERO CCOc1ccc([C@H](C[S@@](=O)C2CCOCC2)[NH2+]C)cc1 ZINC000084054948 192398056 /nfs/dbraw/zinc/39/80/56/192398056.db2.gz DHKPGLDBMXVFOK-KKSFZXQISA-N 1 0 311.447 2.274 10 0 DEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(I)o1 ZINC000084223850 192414177 /nfs/dbraw/zinc/41/41/77/192414177.db2.gz RCPATXNFMDIBFY-PSASIEDQSA-N 1 0 321.158 2.135 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])CC(F)(F)F)c1Br ZINC000084273769 192418597 /nfs/dbraw/zinc/41/85/97/192418597.db2.gz XQHDDQBLBBMPHD-LURJTMIESA-N 1 0 300.122 2.313 10 0 DEAERO COc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1OC(F)F ZINC000170865891 197841607 /nfs/dbraw/zinc/84/16/07/197841607.db2.gz AWKLRDYREAUVFC-NSHDSACASA-N 1 0 314.332 2.073 10 0 DEAERO CC[C@@H]([NH3+])c1nc2cc(F)ccc2n1CC(=O)N(CC)CC ZINC000071664525 191001018 /nfs/dbraw/zinc/00/10/18/191001018.db2.gz QXZQREFITFEUGE-GFCCVEGCSA-N 1 0 306.385 2.454 10 0 DEAERO CC[C@@H]([NH3+])c1nc2cc(C)ccc2n1CCN1CCOCC1 ZINC000071666967 191001820 /nfs/dbraw/zinc/00/18/20/191001820.db2.gz PINAJQXFHOWZHG-CQSZACIVSA-N 1 0 302.422 2.087 10 0 DEAERO [NH3+]C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000333836882 282978225 /nfs/dbraw/zinc/97/82/25/282978225.db2.gz UKRGWGUOCWOYCC-NURSFMCSSA-N 1 0 311.788 2.325 10 0 DEAERO COc1ccc(Cl)c2c1CN(Cc1nccn1C)[C@H]2C[NH3+] ZINC000071684012 191008404 /nfs/dbraw/zinc/00/84/04/191008404.db2.gz WYPPPKLATAKBAI-LBPRGKRZSA-N 1 0 306.797 2.098 10 0 DEAERO CC[NH+](CC)CCCNC(=O)Cc1ccc2cccc(N)c2n1 ZINC000071698122 191010214 /nfs/dbraw/zinc/01/02/14/191010214.db2.gz UJGYAUWFSNZASR-UHFFFAOYSA-N 1 0 314.433 2.208 10 0 DEAERO [NH3+]Cc1ccccc1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000071700084 191010291 /nfs/dbraw/zinc/01/02/91/191010291.db2.gz OECKTOKKQVHLCJ-UHFFFAOYSA-N 1 0 311.385 2.234 10 0 DEAERO COC(=O)c1ccc(Cl)c(N[C@@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000133649816 186003524 /nfs/dbraw/zinc/00/35/24/186003524.db2.gz VJAOOIUTBKBXSB-JQWIXIFHSA-N 1 0 312.797 2.306 10 0 DEAERO Cn1c2cccc(S(C)(=O)=O)c2nc1CCCCCC[NH3+] ZINC000138216597 186014838 /nfs/dbraw/zinc/01/48/38/186014838.db2.gz XUDWSPKVBVCZKC-UHFFFAOYSA-N 1 0 309.435 2.038 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)C(C)C)c1 ZINC000138335353 186015496 /nfs/dbraw/zinc/01/54/96/186015496.db2.gz CBCGELNRBJXXDP-UHFFFAOYSA-N 1 0 306.378 2.103 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000138271711 186015803 /nfs/dbraw/zinc/01/58/03/186015803.db2.gz ZIJZNLQUVHEZHN-UHFFFAOYSA-N 1 0 318.389 2.249 10 0 DEAERO C[C@@H](NC(=O)c1cc(N)cc(Br)c1)c1ncc[nH]1 ZINC000138378169 186016142 /nfs/dbraw/zinc/01/61/42/186016142.db2.gz VGEWCRRFIHKXSU-SSDOTTSWSA-N 1 0 309.167 2.245 10 0 DEAERO CCN(C(C)C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138442829 186017001 /nfs/dbraw/zinc/01/70/01/186017001.db2.gz PWZXVUHJUXPDEY-UHFFFAOYSA-N 1 0 306.378 2.103 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)[C@H](C)C(C)C)c1 ZINC000138521653 186017698 /nfs/dbraw/zinc/01/76/98/186017698.db2.gz BIHUCVPVQULCSE-SNVBAGLBSA-N 1 0 320.405 2.349 10 0 DEAERO CC[NH+](CC)CCN1C(=O)C2(CC2)N[C@H]1c1ccc(C)s1 ZINC000138641829 186018513 /nfs/dbraw/zinc/01/85/13/186018513.db2.gz KEOPHUYWCZAVTD-CQSZACIVSA-N 1 0 307.463 2.361 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(C2CC2)nc1 ZINC000245988784 539760002 /nfs/dbraw/zinc/76/00/02/539760002.db2.gz CWGIACVWMOZIRH-GJZGRUSLSA-N 1 0 315.421 2.445 10 0 DEAERO NC(=O)c1sc2cc(CC[NH3+])cc(OC3CCCC3)c2c1N ZINC000139186369 186020421 /nfs/dbraw/zinc/02/04/21/186020421.db2.gz HQYRQJYEJNNKPR-UHFFFAOYSA-N 1 0 319.430 2.405 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2C[C@@H](C)C[C@@H]2C)c1 ZINC000139345667 186021583 /nfs/dbraw/zinc/02/15/83/186021583.db2.gz AURUGNYINFCDLS-UWVGGRQHSA-N 1 0 318.389 2.103 10 0 DEAERO CC(C)c1nccc(C[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)CC2)n1 ZINC000072151261 191055338 /nfs/dbraw/zinc/05/53/38/191055338.db2.gz HYXGWEVSNIKSIF-KRWDZBQOSA-N 1 0 318.421 2.407 10 0 DEAERO C[C@@]([NH3+])(c1nc(-c2ccc(Br)cn2)no1)C1CC1 ZINC000139791412 186024088 /nfs/dbraw/zinc/02/40/88/186024088.db2.gz GUSLTZZOYPLESY-LBPRGKRZSA-N 1 0 309.167 2.478 10 0 DEAERO CC[NH2+][C@H](C)Cc1nc(-c2ccc(Br)cn2)no1 ZINC000139841073 186024776 /nfs/dbraw/zinc/02/47/76/186024776.db2.gz YOMGIJAUAQMERU-MRVPVSSYSA-N 1 0 311.183 2.435 10 0 DEAERO CC(C)n1ncnc1C[C@H]([NH3+])c1ncccc1Br ZINC000140341609 186026422 /nfs/dbraw/zinc/02/64/22/186026422.db2.gz UUAAKTIQDNJQRB-JTQLQIEISA-N 1 0 310.199 2.259 10 0 DEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)c1ncccc1Br ZINC000140376667 186026580 /nfs/dbraw/zinc/02/65/80/186026580.db2.gz MGPFCEKRKMXEDK-LBPRGKRZSA-N 1 0 309.211 2.389 10 0 DEAERO CC[C@]1(C)N[C@H](c2cccs2)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000142828073 186032485 /nfs/dbraw/zinc/03/24/85/186032485.db2.gz XIPCEIPPNCBERD-INWMFGNUSA-N 1 0 307.463 2.441 10 0 DEAERO CCCCN(CC)[C@]1(C[NH3+])CCS(=O)(=O)c2ccccc21 ZINC000147637265 186040581 /nfs/dbraw/zinc/04/05/81/186040581.db2.gz SEJCMAOWSAYNKL-INIZCTEOSA-N 1 0 310.463 2.140 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)NCC(F)F)cc1C[NH2+]C(C)C ZINC000148180751 186043330 /nfs/dbraw/zinc/04/33/30/186043330.db2.gz YAGDXNIEROZUMD-UHFFFAOYSA-N 1 0 320.405 2.345 10 0 DEAERO Cc1cc(S(=O)(=O)NCC(F)F)cc(C[NH2+]C(C)C)c1F ZINC000148187694 186043536 /nfs/dbraw/zinc/04/35/36/186043536.db2.gz WXRXDYPJPVRROU-UHFFFAOYSA-N 1 0 324.368 2.176 10 0 DEAERO CCc1ccc(C[C@H](C[C@@H]2CCS(=O)(=O)C2)[NH2+]C)s1 ZINC000143200521 186033739 /nfs/dbraw/zinc/03/37/39/186033739.db2.gz QOJNJDOFQPSMCL-RYUDHWBXSA-N 1 0 301.477 2.266 10 0 DEAERO CC[C@@H]1N[C@H](c2cccs2)N([C@@H]2CCC[N@H+](CC)C2)C1=O ZINC000144296766 186034767 /nfs/dbraw/zinc/03/47/67/186034767.db2.gz LRFGYZGKJOUNPU-IPYPFGDCSA-N 1 0 307.463 2.441 10 0 DEAERO CC[NH2+]CCc1ccc(S(=O)(=O)N(C)C2CCC2)s1 ZINC000144612604 186035705 /nfs/dbraw/zinc/03/57/05/186035705.db2.gz UEOZDPQUKFNIKC-UHFFFAOYSA-N 1 0 302.465 2.073 10 0 DEAERO CN(C1CCC1)S(=O)(=O)c1ccsc1C[NH2+]C1CC1 ZINC000144665923 186036098 /nfs/dbraw/zinc/03/60/98/186036098.db2.gz IOVRUNDVCFOVAD-UHFFFAOYSA-N 1 0 300.449 2.173 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](C(C)C)C(=O)N2[C@@H]2CC[N@H+](C)C2)s1 ZINC000145226278 186036887 /nfs/dbraw/zinc/03/68/87/186036887.db2.gz LVNVTNUVNQXCPN-BPLDGKMQSA-N 1 0 307.463 2.216 10 0 DEAERO CC[NH+]1CCC(CN2C(=O)[C@@H](C)N[C@@H]2c2ccsc2)CC1 ZINC000145496468 186037120 /nfs/dbraw/zinc/03/71/20/186037120.db2.gz FIONYGWPORYUHN-DOMZBBRYSA-N 1 0 307.463 2.299 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]c4ccc(F)cc34)C[C@H]12 ZINC000248633790 539774784 /nfs/dbraw/zinc/77/47/84/539774784.db2.gz PTGSVFLCGBSUPJ-NZVBXONLSA-N 1 0 301.365 2.045 10 0 DEAERO CCC[NH2+][C@H](Cc1cn2ccsc2n1)[C@H]1CSCCO1 ZINC000149252895 186048456 /nfs/dbraw/zinc/04/84/56/186048456.db2.gz FVDBFNLSPBQQKM-CHWSQXEVSA-N 1 0 311.476 2.439 10 0 DEAERO [NH3+][C@@H](Cc1cn2ccsc2n1)[C@H]1COc2ccccc2O1 ZINC000149186384 186048652 /nfs/dbraw/zinc/04/86/52/186048652.db2.gz ZNYSWBQISIMJOM-SMDDNHRTSA-N 1 0 301.371 2.106 10 0 DEAERO CC[NH2+]C1CCC(NS(=O)(=O)CCc2ccccc2)CC1 ZINC000149366766 186049687 /nfs/dbraw/zinc/04/96/87/186049687.db2.gz IZBDKEDLZXYLHH-UHFFFAOYSA-N 1 0 310.463 2.069 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000149507196 186050175 /nfs/dbraw/zinc/05/01/75/186050175.db2.gz CUTKOXAKVYNJLC-SNVBAGLBSA-N 1 0 311.813 2.355 10 0 DEAERO C[C@@H](CS(=O)(=O)N1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000149509947 186050885 /nfs/dbraw/zinc/05/08/85/186050885.db2.gz MEKAAZOHNHJKJM-AWEZNQCLSA-N 1 0 310.463 2.181 10 0 DEAERO CCC(CC)(NS(=O)(=O)C[C@@H](C)c1ccccc1)C(N)=[NH2+] ZINC000149608371 186051475 /nfs/dbraw/zinc/05/14/75/186051475.db2.gz YXIWAOAXFLBPQL-GFCCVEGCSA-N 1 0 311.451 2.204 10 0 DEAERO C[C@@H](CS(=O)(=O)NC[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000149595611 186052013 /nfs/dbraw/zinc/05/20/13/186052013.db2.gz WIEFNXDRPHOWAE-IMJJTQAJSA-N 1 0 310.463 2.085 10 0 DEAERO CC[NH2+]Cc1cc(Cl)c(OCc2nncn2C)c(OC)c1 ZINC000150011731 186054304 /nfs/dbraw/zinc/05/43/04/186054304.db2.gz FCYOMXPZCINMBB-UHFFFAOYSA-N 1 0 310.785 2.166 10 0 DEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)C1(C)C ZINC000249087938 539778184 /nfs/dbraw/zinc/77/81/84/539778184.db2.gz UILNGEWAHBEZDD-NNFUDEMPSA-N 1 0 316.445 2.439 10 0 DEAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@H]3CCS(=O)(=O)C3)sc21 ZINC000150258948 186056351 /nfs/dbraw/zinc/05/63/51/186056351.db2.gz DOVWKPQUHNUXDT-VHSXEESVSA-N 1 0 314.476 2.278 10 0 DEAERO COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000171182032 197893591 /nfs/dbraw/zinc/89/35/91/197893591.db2.gz WZCUERVMXCYVPV-GJZGRUSLSA-N 1 0 302.374 2.030 10 0 DEAERO Cc1ccc(Br)c(NC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000163961961 186144157 /nfs/dbraw/zinc/14/41/57/186144157.db2.gz ZBIOJRMICVXYOU-JTQLQIEISA-N 1 0 313.195 2.075 10 0 DEAERO O=C(Nc1ccc(F)c(Br)c1)[C@@H]1CSCC[NH2+]1 ZINC000164014779 186146022 /nfs/dbraw/zinc/14/60/22/186146022.db2.gz URDAQZVTBKAHSF-JTQLQIEISA-N 1 0 319.199 2.232 10 0 DEAERO COc1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)cc1OC(F)F ZINC000164082674 186148040 /nfs/dbraw/zinc/14/80/40/186148040.db2.gz UQIRZUXNHDLYBS-MRVPVSSYSA-N 1 0 300.305 2.091 10 0 DEAERO Cc1ccc([S@@](=O)CC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000155915275 186122970 /nfs/dbraw/zinc/12/29/70/186122970.db2.gz MANDDZRBFVTAIX-OAQYLSRUSA-N 1 0 302.399 2.200 10 0 DEAERO COc1cccc(C[NH2+]C[C@@H](C)[S@@](C)=O)c1OC(F)F ZINC000159670642 186134028 /nfs/dbraw/zinc/13/40/28/186134028.db2.gz WLTIDMRCPBQHMS-YBYGRFCBSA-N 1 0 307.362 2.153 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1OC ZINC000173299141 186173641 /nfs/dbraw/zinc/17/36/41/186173641.db2.gz BFHFPZOZTROFFD-ZDUSSCGKSA-N 1 0 306.406 2.367 10 0 DEAERO CC(C)[NH2+]C[C@@H]1COCCN1c1ccncc1Br ZINC000164157664 186150419 /nfs/dbraw/zinc/15/04/19/186150419.db2.gz JXSUNMJVOPTONU-LLVKDONJSA-N 1 0 314.227 2.047 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000164361815 186157425 /nfs/dbraw/zinc/15/74/25/186157425.db2.gz AZWSZDHIQKRXTB-SCZZXKLOSA-N 1 0 300.200 2.366 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OC ZINC000173332738 186177978 /nfs/dbraw/zinc/17/79/78/186177978.db2.gz NNJHQUDMIIETOH-JKSUJKDBSA-N 1 0 317.433 2.463 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2ccc(F)cc2F)C1 ZINC000188017620 186244768 /nfs/dbraw/zinc/24/47/68/186244768.db2.gz JEQCQSPTPOPOAP-BDJLRTHQSA-N 1 0 312.360 2.386 10 0 DEAERO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000183902842 186229245 /nfs/dbraw/zinc/22/92/45/186229245.db2.gz LZIHYEDECMCTMC-UONOGXRCSA-N 1 0 320.437 2.155 10 0 DEAERO CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333844707 282981761 /nfs/dbraw/zinc/98/17/61/282981761.db2.gz OYAMBEYMGAFLCR-UONOGXRCSA-N 1 0 309.454 2.118 10 0 DEAERO CCn1cc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cn1 ZINC000171835140 197992654 /nfs/dbraw/zinc/99/26/54/197992654.db2.gz ONKQSWSCNWIBMW-UHFFFAOYSA-N 1 0 312.417 2.297 10 0 DEAERO CC(C)Cc1nnc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000171886638 198000563 /nfs/dbraw/zinc/00/05/63/198000563.db2.gz BNXKPRABZRNOSI-LLVKDONJSA-N 1 0 309.439 2.049 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1nc2c(s1)COCC2 ZINC000172256797 198066443 /nfs/dbraw/zinc/06/64/43/198066443.db2.gz KEMPLTWLNSDARS-LLVKDONJSA-N 1 0 324.450 2.212 10 0 DEAERO Cc1ncsc1CC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000172535415 198111507 /nfs/dbraw/zinc/11/15/07/198111507.db2.gz IXFGZYLWJNUSSJ-UHFFFAOYSA-N 1 0 317.462 2.305 10 0 DEAERO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1C(=O)CC[NH+](C)C ZINC000072416284 191155041 /nfs/dbraw/zinc/15/50/41/191155041.db2.gz XSYIJFDGJPAFBQ-UHFFFAOYSA-N 1 0 301.394 2.030 10 0 DEAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)COC1(C)C[NH2+]C1 ZINC000309773936 539879096 /nfs/dbraw/zinc/87/90/96/539879096.db2.gz WJCRUNKICKRMJU-CQSZACIVSA-N 1 0 302.418 2.192 10 0 DEAERO CN(C(=O)c1ncccc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309728850 539878084 /nfs/dbraw/zinc/87/80/84/539878084.db2.gz QWAVZIWWZPLVGG-OAHLLOKOSA-N 1 0 310.401 2.010 10 0 DEAERO CCN(C(=O)c1ccc(Br)o1)[C@@H]1CC[N@H+](C)C1 ZINC000617561667 363189026 /nfs/dbraw/zinc/18/90/26/363189026.db2.gz QNUYOAAPRMOTHI-SECBINFHSA-N 1 0 301.184 2.208 10 0 DEAERO CCN(C(=O)c1cncc(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000617561082 363189774 /nfs/dbraw/zinc/18/97/74/363189774.db2.gz DMSAEYWKRVIJRO-LBPRGKRZSA-N 1 0 312.211 2.010 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCn3ccnc3C2)cc1 ZINC000329715367 539927984 /nfs/dbraw/zinc/92/79/84/539927984.db2.gz UWURMTNBJHNNDV-DOMZBBRYSA-N 1 0 324.384 2.134 10 0 DEAERO Cc1ncc(-c2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)c(C)n1 ZINC000329740408 539928809 /nfs/dbraw/zinc/92/88/09/539928809.db2.gz VILBYBFUJZUNGR-JSGCOSHPSA-N 1 0 315.377 2.069 10 0 DEAERO C[C@@H](c1nc([C@@H]2CN3CCC[C@@H]3CO2)no1)c1cccnc1 ZINC000329739981 539929059 /nfs/dbraw/zinc/92/90/59/539929059.db2.gz VEILKWUXDFZUCI-BNOWGMLFSA-N 1 0 300.362 2.152 10 0 DEAERO NC(=O)c1cc([C@@H]2CCC[N@@H+]([C@@H]3C[C@H]3c3ccccc3)C2)n[nH]1 ZINC000329845864 539930974 /nfs/dbraw/zinc/93/09/74/539930974.db2.gz YBCIQZAAZWMUGZ-JKIFEVAISA-N 1 0 310.401 2.244 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccc(F)cc2)CC[N@@H+]1C ZINC000173189867 198193308 /nfs/dbraw/zinc/19/33/08/198193308.db2.gz JBDOOZUYFSGHAT-CJNGLKHVSA-N 1 0 307.413 2.492 10 0 DEAERO C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccc(F)cc1 ZINC000173275817 198206065 /nfs/dbraw/zinc/20/60/65/198206065.db2.gz DSGKYNNMIXLUKD-UKRRQHHQSA-N 1 0 321.396 2.083 10 0 DEAERO COCCC(=O)N1CCC([NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000182068870 199381941 /nfs/dbraw/zinc/38/19/41/199381941.db2.gz NCJGISGBKQZGLZ-INIZCTEOSA-N 1 0 318.461 2.482 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2COc3ccccc3C2)CC[N@@H+]1C ZINC000174062240 198286438 /nfs/dbraw/zinc/28/64/38/198286438.db2.gz HABPMEKSBRBRSC-FVQBIDKESA-N 1 0 317.433 2.114 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(CCCc2cccc(OC)c2)CC1 ZINC000174081634 198289082 /nfs/dbraw/zinc/28/90/82/198289082.db2.gz CDVWCIGHRDNKTD-QGZVFWFLSA-N 1 0 306.450 2.016 10 0 DEAERO COCc1cccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000174361173 198323936 /nfs/dbraw/zinc/32/39/36/198323936.db2.gz VBVBUSHJAXWFCY-QGZVFWFLSA-N 1 0 312.417 2.382 10 0 DEAERO O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174403070 198330784 /nfs/dbraw/zinc/33/07/84/198330784.db2.gz HIDIXRCPBFNVPN-YESZJQIVSA-N 1 0 315.392 2.337 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000174583516 198355164 /nfs/dbraw/zinc/35/51/64/198355164.db2.gz FCKXKICYNHJOEE-ZWKOTPCHSA-N 1 0 315.461 2.204 10 0 DEAERO COCC[C@@H](C)[NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000176108322 198546910 /nfs/dbraw/zinc/54/69/10/198546910.db2.gz TYYJCSRTMAJYQC-UKRRQHHQSA-N 1 0 312.479 2.444 10 0 DEAERO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)NC(=O)NCC(F)(F)F ZINC000007588422 354004661 /nfs/dbraw/zinc/00/46/61/354004661.db2.gz PLJKDJJXFLRQDB-GHMZBOCLSA-N 1 0 321.343 2.029 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)c2cccs2)CC1 ZINC000176440174 198586928 /nfs/dbraw/zinc/58/69/28/198586928.db2.gz NGUURMVTJQMOPD-KGLIPLIRSA-N 1 0 324.490 2.403 10 0 DEAERO COc1cccc(N2CC[C@H](C[NH2+]CC3=CCCOC3)C2)c1 ZINC000176833081 198627212 /nfs/dbraw/zinc/62/72/12/198627212.db2.gz PSSCOVZNWOTTPJ-OAHLLOKOSA-N 1 0 302.418 2.458 10 0 DEAERO CNc1cc(OC)c(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc1Cl ZINC000004626661 181130625 /nfs/dbraw/zinc/13/06/25/181130625.db2.gz DYMNHNMNXIHEHH-AWEZNQCLSA-N 1 0 323.824 2.214 10 0 in-man DEAERO C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CCCOC1)c1ccccc1 ZINC000057162126 354559081 /nfs/dbraw/zinc/55/90/81/354559081.db2.gz DACZVJQWGRBFKM-GDBMZVCRSA-N 1 0 305.422 2.015 10 0 DEAERO COc1ccc(OCCC[NH+]2CCC(C(=O)N(C)C)CC2)cc1 ZINC000061761405 354631730 /nfs/dbraw/zinc/63/17/30/354631730.db2.gz GNDWXFLDDUFDKO-UHFFFAOYSA-N 1 0 320.433 2.264 10 0 DEAERO CC(C)(C)C[N@@H+]1CCC[C@H](c2nc(-c3cnccn3)n[nH]2)C1 ZINC000065286782 354681919 /nfs/dbraw/zinc/68/19/19/354681919.db2.gz JMYDEASOVAMANS-LBPRGKRZSA-N 1 0 300.410 2.487 10 0 DEAERO CN1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000262524328 283046254 /nfs/dbraw/zinc/04/62/54/283046254.db2.gz FYXMTPWZNDVDTC-HZPDHXFCSA-N 1 0 321.852 2.201 10 0 DEAERO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CCO)c1ccc(F)cc1 ZINC000070953140 354892393 /nfs/dbraw/zinc/89/23/93/354892393.db2.gz YGSSSSQOXLMPKG-CZUORRHYSA-N 1 0 308.397 2.240 10 0 DEAERO COC(=O)[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000358859826 283074729 /nfs/dbraw/zinc/07/47/29/283074729.db2.gz WSFPFHGAXOJYSO-SFHVURJKSA-N 1 0 316.445 2.440 10 0 DEAERO CCCNC(=O)C1(NC(=O)c2ccc(C[NH3+])cc2)CCCCC1 ZINC000236820295 202025060 /nfs/dbraw/zinc/02/50/60/202025060.db2.gz MLTMYVCFSPQYGM-UHFFFAOYSA-N 1 0 317.433 2.104 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000380307157 540122130 /nfs/dbraw/zinc/12/21/30/540122130.db2.gz JGVGZAXCGDBZLU-GXSJLCMTSA-N 1 0 304.362 2.172 10 0 DEAERO COC(C)(C)C[C@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000073722361 191346235 /nfs/dbraw/zinc/34/62/35/191346235.db2.gz ZIBUHHXAMDBZRA-KBPBESRZSA-N 1 0 301.475 2.466 10 0 DEAERO Clc1nc2nc(N3CCCC3)sc2c(N[C@H]2CC[NH2+]C2)n1 ZINC000073736067 191349454 /nfs/dbraw/zinc/34/94/54/191349454.db2.gz PZPZYQOPQFVQCV-QMMMGPOBSA-N 1 0 324.841 2.114 10 0 DEAERO Cc1cncc(CC[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000402863384 540143655 /nfs/dbraw/zinc/14/36/55/540143655.db2.gz YPQWLXXXQWZJEA-HNAYVOBHSA-N 1 0 310.445 2.438 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1cccc(Br)c1)C(F)(F)F ZINC000401877889 540143019 /nfs/dbraw/zinc/14/30/19/540143019.db2.gz ORAYOOGPUMVMCT-QMMMGPOBSA-N 1 0 311.101 2.069 10 0 DEAERO COC(=O)c1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000089451568 355534118 /nfs/dbraw/zinc/53/41/18/355534118.db2.gz JTNYABIOJFPCOC-ONGXEEELSA-N 1 0 310.781 2.440 10 0 DEAERO COc1ccc2c3c1O[C@H]1[C@H](OC)C=C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000097975364 355706654 /nfs/dbraw/zinc/70/66/54/355706654.db2.gz HGPQAWTZLJXCTC-MKUCUKIISA-N 1 0 313.397 2.155 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@H](c3cccs3)C2)C1 ZINC000120067620 355789755 /nfs/dbraw/zinc/78/97/55/355789755.db2.gz KUVZJVIOQCEEQM-KGLIPLIRSA-N 1 0 323.462 2.173 10 0 DEAERO O=C(NCC[NH+]1CCCCC1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000078544856 191881133 /nfs/dbraw/zinc/88/11/33/191881133.db2.gz HRKIOJNECHUFMZ-MRXNPFEDSA-N 1 0 316.449 2.050 10 0 DEAERO CNC(=O)N1CCC([C@@H]2CC[N@H+](Cc3ccncc3F)C2)CC1 ZINC000169781623 355982911 /nfs/dbraw/zinc/98/29/11/355982911.db2.gz PKMBVVUVQWFJFV-CQSZACIVSA-N 1 0 320.412 2.094 10 0 DEAERO COC[C@@H]1C[N@H+](C)CC12CCN(C(=O)[C@@H]1CC=CCC1)CC2 ZINC000169788768 355983383 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JMCKXVNBCFJCCL-KBPBESRZSA-N 1 0 321.446 2.204 10 0 DEAERO CC(C)(C)OC(=O)N1CCCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000226093342 356278299 /nfs/dbraw/zinc/27/82/99/356278299.db2.gz QORVYMUFFVFZEQ-OAHLLOKOSA-N 1 0 309.454 2.023 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)sc1Cl ZINC000226463930 356278897 /nfs/dbraw/zinc/27/88/97/356278897.db2.gz JWCHWPOQWJJSPJ-JTQLQIEISA-N 1 0 322.883 2.473 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1OCC1([NH3+])CCCC1 ZINC000080838416 192195144 /nfs/dbraw/zinc/19/51/44/192195144.db2.gz QCTUMLVEYGMZBG-UHFFFAOYSA-N 1 0 302.296 2.455 10 0 DEAERO [NH3+]Cc1c(I)nccc1OC(F)(F)F ZINC000238615272 356304518 /nfs/dbraw/zinc/30/45/18/356304518.db2.gz DFUYHZPILSFTRB-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO C[C@H]1CC[C@]([NH3+])(c2ncc(I)cn2)C1 ZINC000306647137 356404787 /nfs/dbraw/zinc/40/47/87/356404787.db2.gz PFBKFJTXSFDKFT-OIBJUYFYSA-N 1 0 303.147 2.055 10 0 DEAERO [NH3+]Cc1cc(C(F)(F)F)cnc1I ZINC000306923115 356406008 /nfs/dbraw/zinc/40/60/08/356406008.db2.gz 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ZINC000088917149 192656085 /nfs/dbraw/zinc/65/60/85/192656085.db2.gz IOUQYFKNVNLUTR-UHFFFAOYSA-N 1 0 304.481 2.319 10 0 DEAERO CCCCNC(=O)NC(=O)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000585754713 357352509 /nfs/dbraw/zinc/35/25/09/357352509.db2.gz WSLFXVQZOTVUAA-UHFFFAOYSA-N 1 0 305.422 2.479 10 0 DEAERO CCC[C@@H](C(=O)N1CCO[C@H](c2cccc(F)c2)C1)[NH+](C)C ZINC000178656500 198904938 /nfs/dbraw/zinc/90/49/38/198904938.db2.gz GKNTWTZXFFDZPK-HOTGVXAUSA-N 1 0 308.397 2.456 10 0 DEAERO O=C(NCCCCc1ccccc1)NCCNc1cc[nH+]cc1 ZINC000591548504 357734406 /nfs/dbraw/zinc/73/44/06/357734406.db2.gz XBPZROHBVPUAMO-UHFFFAOYSA-N 1 0 312.417 2.238 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(OC)c(Cl)c2)CC1 ZINC000179341744 199018594 /nfs/dbraw/zinc/01/85/94/199018594.db2.gz YGGUTRGANNFHMY-AWEZNQCLSA-N 1 0 312.841 2.237 10 0 DEAERO COc1cc(CN2CCC([NH2+]C(C)C)CC2)cc2c1OCCO2 ZINC000179833309 199086205 /nfs/dbraw/zinc/08/62/05/199086205.db2.gz DCSPQLSLAQMMOS-UHFFFAOYSA-N 1 0 320.433 2.429 10 0 DEAERO CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188138941 535385332 /nfs/dbraw/zinc/38/53/32/535385332.db2.gz RBCZUWSVOGCNSG-IMJJTQAJSA-N 1 0 324.490 2.307 10 0 DEAERO COc1ccc([C@H](C)C[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000179972460 199101774 /nfs/dbraw/zinc/10/17/74/199101774.db2.gz PEAAKUBUVKIDAF-OAHLLOKOSA-N 1 0 312.417 2.411 10 0 DEAERO CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180224211 199133317 /nfs/dbraw/zinc/13/33/17/199133317.db2.gz JNHMWCJMKMMUBZ-CRAIPNDOSA-N 1 0 304.434 2.238 10 0 DEAERO Cc1cc(C)c(CC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(C)c1 ZINC000180267748 199138562 /nfs/dbraw/zinc/13/85/62/199138562.db2.gz XXTXRTIIGMFNCO-IAGOWNOFSA-N 1 0 318.461 2.068 10 0 DEAERO c1cc(-c2noc(CN3CC[C@@H]([NH+]4CCCCC4)C3)n2)co1 ZINC000594024882 358191683 /nfs/dbraw/zinc/19/16/83/358191683.db2.gz UCNLEBLUBTVHCA-CQSZACIVSA-N 1 0 302.378 2.390 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCC2(C)Cc3ccccc3C2)C1 ZINC000180580770 199179989 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CCn1nc(C)c(Br)c1C[C@@H]([NH2+]C)[C@H]1CCOC1 ZINC000089297939 192761011 /nfs/dbraw/zinc/76/10/11/192761011.db2.gz JOZCZEGCIBJPGB-WDEREUQCSA-N 1 0 316.243 2.141 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@@H]2CCCOC2)c1Br ZINC000089329162 192768189 /nfs/dbraw/zinc/76/81/89/192768189.db2.gz DRBUZTOWYQIYGZ-NXEZZACHSA-N 1 0 316.243 2.041 10 0 DEAERO CCc1nn(CC)c(CO[C@H](C)C[NH2+]C)c1Br ZINC000089351153 192771770 /nfs/dbraw/zinc/77/17/70/192771770.db2.gz LVCDMYYKOSNWSF-SECBINFHSA-N 1 0 304.232 2.352 10 0 DEAERO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2C[NH3+])cc1C ZINC000089532129 192810973 /nfs/dbraw/zinc/81/09/73/192810973.db2.gz CXCINKOOFLKOMS-HUUCEWRRSA-N 1 0 310.463 2.347 10 0 DEAERO C[N@H+](CCC(=O)NCc1ccccc1Cl)CC1(CO)CC1 ZINC000186790834 200011265 /nfs/dbraw/zinc/01/12/65/200011265.db2.gz NMPKNWVJUKPORE-UHFFFAOYSA-N 1 0 310.825 2.051 10 0 DEAERO CCOc1ccccc1NC(=O)CC[N@H+](C)CC1(CO)CC1 ZINC000186759117 200004795 /nfs/dbraw/zinc/00/47/95/200004795.db2.gz PRPDLENNSNHOPY-UHFFFAOYSA-N 1 0 306.406 2.118 10 0 DEAERO CN1c2ccc(CN3CC[N@@H+]4CCCC[C@@H]4C3)cc2CCC1=O ZINC000186919161 200031304 /nfs/dbraw/zinc/03/13/04/200031304.db2.gz SLLBOCSMAICSGE-QGZVFWFLSA-N 1 0 313.445 2.266 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1c[nH]nc1C1CC1 ZINC000187307145 200092374 /nfs/dbraw/zinc/09/23/74/200092374.db2.gz RFVYJMAPHLYWEE-HNNXBMFYSA-N 1 0 312.417 2.190 10 0 DEAERO CC[NH+]1CCN(c2cccc(NC(=O)C[C@@H](O)C(C)C)c2)CC1 ZINC000187401291 200107202 /nfs/dbraw/zinc/10/72/02/200107202.db2.gz SJDXEAYZXDRFCG-QGZVFWFLSA-N 1 0 319.449 2.174 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000187809649 200160237 /nfs/dbraw/zinc/16/02/37/200160237.db2.gz INIMFVFUTKXXCA-RDJZCZTQSA-N 1 0 319.449 2.185 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)C[C@H](O)COCc2ccccc2)C1 ZINC000187928289 200178223 /nfs/dbraw/zinc/17/82/23/200178223.db2.gz PFVYINXGIYXIJE-RYQLBKOJSA-N 1 0 307.434 2.047 10 0 DEAERO O=C(NCc1ccc(Cl)cc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000187859001 200167297 /nfs/dbraw/zinc/16/72/97/200167297.db2.gz MTGWOZAHGDACNO-ZDUSSCGKSA-N 1 0 311.788 2.469 10 0 DEAERO CCSc1cc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)ccn1 ZINC000188111188 200194940 /nfs/dbraw/zinc/19/49/40/200194940.db2.gz JVJIYLVHSTWQOR-ZDUSSCGKSA-N 1 0 308.451 2.039 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000238051081 283481311 /nfs/dbraw/zinc/48/13/11/283481311.db2.gz FOKCARYUJNLWQA-SMDDNHRTSA-N 1 0 318.808 2.383 10 0 DEAERO CCc1cccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000189147251 200355394 /nfs/dbraw/zinc/35/53/94/200355394.db2.gz PUZZSAMNNXWEKM-UHFFFAOYSA-N 1 0 322.416 2.009 10 0 DEAERO COc1ccc2[nH]c(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)cc2c1 ZINC000189285359 200376131 /nfs/dbraw/zinc/37/61/31/200376131.db2.gz ABLYZWGTSOULGU-TZMCWYRMSA-N 1 0 313.401 2.485 10 0 DEAERO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000516787301 283523767 /nfs/dbraw/zinc/52/37/67/283523767.db2.gz JOEMMTZILFNPOI-HZPDHXFCSA-N 1 0 308.447 2.263 10 0 DEAERO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]Cc2nnc3ccccn32)C1 ZINC000442849788 238086746 /nfs/dbraw/zinc/08/67/46/238086746.db2.gz URQNZPFTRPXUPZ-GFCCVEGCSA-N 1 0 303.369 2.468 10 0 DEAERO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCO2 ZINC000604165060 360887485 /nfs/dbraw/zinc/88/74/85/360887485.db2.gz YPKJDZTTZDNROZ-WCQYABFASA-N 1 0 317.389 2.012 10 0 DEAERO CC(=O)[C@@H](C)CCCCC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628124747 366729843 /nfs/dbraw/zinc/72/98/43/366729843.db2.gz UMODUUJKXRWOEK-HNNXBMFYSA-N 1 0 324.465 2.095 10 0 DEAERO CC(C)S(=O)(=O)Cc1cccc(NC(=O)CC[C@H](C)[NH3+])c1 ZINC000193250829 201013295 /nfs/dbraw/zinc/01/32/95/201013295.db2.gz TYXABYZLWRBJQN-LBPRGKRZSA-N 1 0 312.435 2.076 10 0 DEAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000193323447 201029450 /nfs/dbraw/zinc/02/94/50/201029450.db2.gz USBLOGCBAZFOBN-CYBMUJFWSA-N 1 0 304.438 2.037 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000193397621 201044394 /nfs/dbraw/zinc/04/43/94/201044394.db2.gz LMSGLPLAHWXPDC-GHMZBOCLSA-N 1 0 316.492 2.322 10 0 DEAERO CCO[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000193499857 201064918 /nfs/dbraw/zinc/06/49/18/201064918.db2.gz PUOWWVVSPUUNIT-HOTGVXAUSA-N 1 0 305.422 2.158 10 0 DEAERO O[C@H](CN1CC[NH+](C[C@@H]2CCC=CO2)CC1)c1ccccc1 ZINC000193898886 201141295 /nfs/dbraw/zinc/14/12/95/201141295.db2.gz STOBBRIWARSHJX-ZWKOTPCHSA-N 1 0 302.418 2.030 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(F)cc2nccnc21 ZINC000193954925 201152503 /nfs/dbraw/zinc/15/25/03/201152503.db2.gz VEEVQHSNDZSZSI-LLVKDONJSA-N 1 0 304.369 2.229 10 0 DEAERO COC(=O)C(C)(C)[C@@H]([NH2+]CCn1ccnc1)c1ccccc1 ZINC000611405438 361593074 /nfs/dbraw/zinc/59/30/74/361593074.db2.gz DQWMUMULKYHUEJ-HNNXBMFYSA-N 1 0 301.390 2.413 10 0 DEAERO COC(=O)C(C)(C)[C@H]([NH2+]C[C@@H](O)COC(C)C)c1ccccc1 ZINC000611406870 361593135 /nfs/dbraw/zinc/59/31/35/361593135.db2.gz ZCRNODXUMDRGQQ-HZPDHXFCSA-N 1 0 323.433 2.302 10 0 DEAERO CCCCNC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611405247 361593467 /nfs/dbraw/zinc/59/34/67/361593467.db2.gz AZCYPPOHSONIGN-INIZCTEOSA-N 1 0 320.433 2.433 10 0 DEAERO C=Cn1cc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cn1 ZINC000194441120 201226409 /nfs/dbraw/zinc/22/64/09/201226409.db2.gz GGJDOOBENWELKK-INIZCTEOSA-N 1 0 314.364 2.013 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000281531503 216365124 /nfs/dbraw/zinc/36/51/24/216365124.db2.gz WNNUIDALWQIDEG-UHFFFAOYSA-N 1 0 316.405 2.053 10 0 DEAERO COC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cc(OC)nc1C)CC2 ZINC000611621933 361646758 /nfs/dbraw/zinc/64/67/58/361646758.db2.gz LAYOVOSASNVEQX-HNNXBMFYSA-N 1 0 318.417 2.482 10 0 DEAERO CSC1(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000194819211 201296045 /nfs/dbraw/zinc/29/60/45/201296045.db2.gz OPKYUCJGLORLNL-AWEZNQCLSA-N 1 0 307.463 2.484 10 0 DEAERO Cc1ccc(C(=O)NCCNc2cc[nH+]cc2)c(F)c1Cl ZINC000448035299 239229341 /nfs/dbraw/zinc/22/93/41/239229341.db2.gz OXKBWHBBIVZSLM-UHFFFAOYSA-N 1 0 307.756 2.446 10 0 DEAERO CC(=O)c1ccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000620968383 364216812 /nfs/dbraw/zinc/21/68/12/364216812.db2.gz RYHZGSLUBPKVEL-KRWDZBQOSA-N 1 0 318.417 2.072 10 0 DEAERO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1cnn2ccccc12)C1CC1 ZINC000275535358 212399682 /nfs/dbraw/zinc/39/96/82/212399682.db2.gz DZTALABBNNEJCJ-KRWDZBQOSA-N 1 0 312.417 2.310 10 0 DEAERO C[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)[C@@H]1COc2ccccc21 ZINC000187399145 299342887 /nfs/dbraw/zinc/34/28/87/299342887.db2.gz DYMIULRMUUYHOI-XEZPLFJOSA-N 1 0 323.458 2.354 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1cscc1C(F)(F)F)C(F)(F)F ZINC000621668476 364497507 /nfs/dbraw/zinc/49/75/07/364497507.db2.gz GHTVPCSQXYXGRZ-LURJTMIESA-N 1 0 306.231 2.386 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000622017018 364636413 /nfs/dbraw/zinc/63/64/13/364636413.db2.gz XVXCAEQILWGUKD-UONOGXRCSA-N 1 0 313.344 2.264 10 0 DEAERO Cc1cc(N2CCC([NH2+]Cc3ccncc3F)CC2)nc(C)n1 ZINC000449221930 240218582 /nfs/dbraw/zinc/21/85/82/240218582.db2.gz HODSDEKFNKFSOY-UHFFFAOYSA-N 1 0 315.396 2.386 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2ccsc2Br)CC1=O ZINC000623570725 365084555 /nfs/dbraw/zinc/08/45/55/365084555.db2.gz BXVVTVOSDMCVLJ-MRVPVSSYSA-N 1 0 303.225 2.079 10 0 DEAERO CC(C)NC(=O)C[C@@H](C[NH3+])Nc1ccccc1Br ZINC000091318927 193038955 /nfs/dbraw/zinc/03/89/55/193038955.db2.gz GRWPZBURFOTOOI-JTQLQIEISA-N 1 0 314.227 2.103 10 0 DEAERO C[S@@](=O)CC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000091341896 193043720 /nfs/dbraw/zinc/04/37/20/193043720.db2.gz UUBRPKCUEHAMGI-WBMJQRKESA-N 1 0 302.237 2.405 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)Cc1sccc1Br ZINC000091519485 193067995 /nfs/dbraw/zinc/06/79/95/193067995.db2.gz NHGRLDZVMMGBKI-GFCCVEGCSA-N 1 0 322.268 2.430 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H](N)C(C)(C)[NH+](C)C ZINC000091528407 193069352 /nfs/dbraw/zinc/06/93/52/193069352.db2.gz JWECOPRROJPHFQ-NSHDSACASA-N 1 0 317.275 2.184 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H](N)C(C)(C)[NH+](C)C ZINC000091528408 193069684 /nfs/dbraw/zinc/06/96/84/193069684.db2.gz JWECOPRROJPHFQ-LLVKDONJSA-N 1 0 317.275 2.184 10 0 DEAERO CC[C@](C)([C@H](N)Cc1c(Br)c(C)nn1C)[NH+](C)C ZINC000091570105 193074426 /nfs/dbraw/zinc/07/44/26/193074426.db2.gz VOGJOGWRAVOHAO-DGCLKSJQSA-N 1 0 317.275 2.091 10 0 DEAERO CC[NH+](CC)C(CC)(CC)[C@@H](O)CCCS(=O)(=O)CC ZINC000091615712 193079304 /nfs/dbraw/zinc/07/93/04/193079304.db2.gz SMJJHKRBUUXAOF-AWEZNQCLSA-N 1 0 307.500 2.463 10 0 DEAERO CC[C@](C)([C@H]([NH3+])CCCS(=O)(=O)CC)N1CCCCC1 ZINC000091608946 193079589 /nfs/dbraw/zinc/07/95/89/193079589.db2.gz YJSQTSIBJHMIRB-HUUCEWRRSA-N 1 0 304.500 2.183 10 0 DEAERO CCC[NH2+]CC[C@@](C)(O)Cc1c(Br)c(C)nn1C ZINC000091465758 193059680 /nfs/dbraw/zinc/05/96/80/193059680.db2.gz UNOTXICBANLYKY-CYBMUJFWSA-N 1 0 318.259 2.174 10 0 DEAERO CCc1nn(CC)c(COC2CC([NH3+])C2)c1Br ZINC000091462149 193059683 /nfs/dbraw/zinc/05/96/83/193059683.db2.gz DPNBMBBDBCQIFR-UHFFFAOYSA-N 1 0 302.216 2.234 10 0 DEAERO CCc1nn(CC)c(C[C@](C)(O)CC[NH2+]C)c1Br ZINC000091466380 193059872 /nfs/dbraw/zinc/05/98/72/193059872.db2.gz GQFYTRUQYXHVTK-CYBMUJFWSA-N 1 0 318.259 2.131 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000091496298 193063726 /nfs/dbraw/zinc/06/37/26/193063726.db2.gz IBVNUDYFLQZSBS-RITPCOANSA-N 1 0 308.250 2.252 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1COCCN1C)c1cc(Br)cs1 ZINC000624176890 365320292 /nfs/dbraw/zinc/32/02/92/365320292.db2.gz UQPKPXMFEVIANR-KOLCDFICSA-N 1 0 319.268 2.492 10 0 DEAERO C[NH2+][C@@H](Cc1csc(C)n1)C1(N2CCOCC2)CCCC1 ZINC000091643207 193084086 /nfs/dbraw/zinc/08/40/86/193084086.db2.gz JDDLWRVRVSAVHZ-HNNXBMFYSA-N 1 0 309.479 2.227 10 0 DEAERO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCO[C@H]1c1cn[nH]c1)C1CC1 ZINC000624241234 365348471 /nfs/dbraw/zinc/34/84/71/365348471.db2.gz CKMPXTLIJUKZCF-CWRNSKLLSA-N 1 0 315.421 2.352 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccc(OC(F)F)c1 ZINC000091667718 193088093 /nfs/dbraw/zinc/08/80/93/193088093.db2.gz HCWLWBCBGTVJJH-SMDDNHRTSA-N 1 0 300.349 2.269 10 0 DEAERO c1cc(CN2CCO[C@@H](C[NH2+][C@H]3CCCSCC3)C2)ccn1 ZINC000624264245 365361037 /nfs/dbraw/zinc/36/10/37/365361037.db2.gz WXJJRVTUMYTIGG-IRXDYDNUSA-N 1 0 321.490 2.158 10 0 DEAERO O=C(Cc1ccccc1Br)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714131 193096376 /nfs/dbraw/zinc/09/63/76/193096376.db2.gz CBZJDMHVJRCKSX-DOMZBBRYSA-N 1 0 324.218 2.424 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)C1(N2CCCC2)CCCC1 ZINC000091640834 193082109 /nfs/dbraw/zinc/08/21/09/193082109.db2.gz UTDZOTKREHGNDR-HNNXBMFYSA-N 1 0 316.511 2.198 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000624391691 365406648 /nfs/dbraw/zinc/40/66/48/365406648.db2.gz BJTYQZWSLUXDCE-NWDGAFQWSA-N 1 0 323.245 2.412 10 0 DEAERO COC(C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)OC ZINC000091842748 193115984 /nfs/dbraw/zinc/11/59/84/193115984.db2.gz SHXHPRZATVZFPU-UHFFFAOYSA-N 1 0 302.415 2.031 10 0 DEAERO C[NH2+]C1CCC(NS(=O)(=O)c2cc(Cl)ccc2C)CC1 ZINC000091872523 193121111 /nfs/dbraw/zinc/12/11/11/193121111.db2.gz INCAEWMRQASQFM-UHFFFAOYSA-N 1 0 316.854 2.457 10 0 DEAERO CC(C)C1CCC(C[NH3+])([C@@]2(O)CCC[C@H]2S(C)(=O)=O)CC1 ZINC000091922103 193126947 /nfs/dbraw/zinc/12/69/47/193126947.db2.gz LMHFVDZUGJAFKR-GYTBAZASSA-N 1 0 317.495 2.106 10 0 DEAERO CCN(Cc1ccoc1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000629600090 367269331 /nfs/dbraw/zinc/26/93/31/367269331.db2.gz RUBMZWQMIOCKAH-CQSZACIVSA-N 1 0 302.378 2.063 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccncc3Br)C[C@H]21 ZINC000629518864 367232469 /nfs/dbraw/zinc/23/24/69/367232469.db2.gz MKVAHYCLWRSDJT-MPKXVKKWSA-N 1 0 310.239 2.403 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000450827853 242278549 /nfs/dbraw/zinc/27/85/49/242278549.db2.gz JRPFSYJZUPJRBW-AWEZNQCLSA-N 1 0 319.323 2.356 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)s1 ZINC000092113936 193161055 /nfs/dbraw/zinc/16/10/55/193161055.db2.gz GRIOHAXXWLTMNR-QWRGUYRKSA-N 1 0 302.465 2.134 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)ccc1C ZINC000092113767 193161187 /nfs/dbraw/zinc/16/11/87/193161187.db2.gz SKVCEGWETSCYBZ-ZIAGYGMSSA-N 1 0 310.463 2.381 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)NC(C)(C)C)c(F)c1 ZINC000092115772 193163690 /nfs/dbraw/zinc/16/36/90/193163690.db2.gz IFGYIGYWDKUBBR-UHFFFAOYSA-N 1 0 302.415 2.401 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]2C)c(F)c1 ZINC000092116228 193163803 /nfs/dbraw/zinc/16/38/03/193163803.db2.gz ZYZBGTOAUWNRLV-LBPRGKRZSA-N 1 0 314.426 2.498 10 0 DEAERO CC(C)CN(C1CC1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115959 193164129 /nfs/dbraw/zinc/16/41/29/193164129.db2.gz CZJFISLCJCGPAA-UHFFFAOYSA-N 1 0 300.399 2.094 10 0 DEAERO CN(c1cccc(F)c1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116038 193164455 /nfs/dbraw/zinc/16/44/55/193164455.db2.gz XBAARXIZHCFXME-UHFFFAOYSA-N 1 0 312.341 2.249 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000249252888 202791992 /nfs/dbraw/zinc/79/19/92/202791992.db2.gz YBWISXNQGNOUCZ-GOEBONIOSA-N 1 0 317.433 2.122 10 0 DEAERO c1c(C[NH2+]CCSc2ccccc2)nnn1C[C@@H]1CCOC1 ZINC000631035872 367981053 /nfs/dbraw/zinc/98/10/53/367981053.db2.gz XSSJDBOTNJSYJY-AWEZNQCLSA-N 1 0 318.446 2.197 10 0 DEAERO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631124843 368031201 /nfs/dbraw/zinc/03/12/01/368031201.db2.gz SXYQPGAAIVGXOG-INIZCTEOSA-N 1 0 304.438 2.031 10 0 DEAERO c1nc2sc3c(c2c(N2CC([NH+]4CCCC4)C2)n1)CCC3 ZINC000631353977 368170753 /nfs/dbraw/zinc/17/07/53/368170753.db2.gz VIEGZKSGLYZBPF-UHFFFAOYSA-N 1 0 300.431 2.464 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)[C@@H]1Cc2ccccc2S1 ZINC000092232583 193177376 /nfs/dbraw/zinc/17/73/76/193177376.db2.gz LOVAXYWJQXBMAR-KQTLUZQSSA-N 1 0 302.443 2.160 10 0 DEAERO Brc1scnc1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890575 368446054 /nfs/dbraw/zinc/44/60/54/368446054.db2.gz QSRRLFBMYKINAJ-MWLCHTKSSA-N 1 0 316.268 2.480 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000631968646 368472477 /nfs/dbraw/zinc/47/24/77/368472477.db2.gz WBTLYVGEFOTTFF-RKDXNWHRSA-N 1 0 323.245 2.209 10 0 DEAERO C[C@H](C[NH2+]C1CC1)CN1C(=O)C(=O)c2cc(Cl)c(F)cc21 ZINC000092750931 193188966 /nfs/dbraw/zinc/18/89/66/193188966.db2.gz CFTCMNFYDYQKKY-MRVPVSSYSA-N 1 0 310.756 2.397 10 0 DEAERO [NH3+]C[C@@H](c1ccccc1F)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000093179304 193212604 /nfs/dbraw/zinc/21/26/04/193212604.db2.gz ZQLMKUQYGFNLND-KBPBESRZSA-N 1 0 305.374 2.439 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000262524246 203320661 /nfs/dbraw/zinc/32/06/61/203320661.db2.gz FYCVIKQVJPGTQB-TZMCWYRMSA-N 1 0 302.777 2.146 10 0 DEAERO C[C@@H]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)[C@@H]1c1cccc(F)c1 ZINC000262549575 203326899 /nfs/dbraw/zinc/32/68/99/203326899.db2.gz OLXFVTJXPVOWQO-VMGRFDJRSA-N 1 0 306.381 2.114 10 0 DEAERO NC1=[NH+]C[C@]2(CCc3cc(Br)ccc3C2)N1C1CC1 ZINC000093373737 193240599 /nfs/dbraw/zinc/24/05/99/193240599.db2.gz CUNGRZYCMLSLQH-OAHLLOKOSA-N 1 0 320.234 2.469 10 0 DEAERO NC(=[NH2+])c1c(F)cccc1Sc1nnnn1C1CCCC1 ZINC000093409308 193245788 /nfs/dbraw/zinc/24/57/88/193245788.db2.gz SVDJLAHOSDCVIG-UHFFFAOYSA-N 1 0 306.370 2.363 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(c2ncc(N)cc2Br)C1 ZINC000093433140 193250978 /nfs/dbraw/zinc/25/09/78/193250978.db2.gz YZOUOMKSIVSPIF-NSHDSACASA-N 1 0 313.243 2.347 10 0 DEAERO CCOC(C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)OCC ZINC000093447507 193253119 /nfs/dbraw/zinc/25/31/19/193253119.db2.gz UBGAJPXOYJHBDL-LBPRGKRZSA-N 1 0 315.435 2.140 10 0 DEAERO NC1=[NH+]C[C@@H]([C@@H]2CCCOC2)N1c1ccccc1Br ZINC000093382534 193241041 /nfs/dbraw/zinc/24/10/41/193241041.db2.gz JQRLXFVDXYVJFK-MFKMUULPSA-N 1 0 324.222 2.379 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cc(OC)nc2ccccc12 ZINC000262708632 203389526 /nfs/dbraw/zinc/38/95/26/203389526.db2.gz OEPHTRKCYGQBLK-ZBEGNZNMSA-N 1 0 301.390 2.233 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Br)c(C)nn1C)[C@H](C)OC ZINC000093691096 193291407 /nfs/dbraw/zinc/29/14/07/193291407.db2.gz HMQKZKSERYAECV-UWVGGRQHSA-N 1 0 304.232 2.047 10 0 DEAERO CCC[NH2+][C@@H]1CCC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698029 193293023 /nfs/dbraw/zinc/29/30/23/193293023.db2.gz XBSXOQRDZXZRLP-SOUVJXGZSA-N 1 0 302.484 2.216 10 0 DEAERO CC[C@@]([NH3+])(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093699188 193293618 /nfs/dbraw/zinc/29/36/18/193293618.db2.gz NQEMPNKWPYHCRQ-GOEBONIOSA-N 1 0 310.463 2.312 10 0 DEAERO CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000093700064 193293957 /nfs/dbraw/zinc/29/39/57/193293957.db2.gz BWWPAAHHAWCWPS-UKRRQHHQSA-N 1 0 302.484 2.216 10 0 DEAERO CC[C@](C)(C[NH2+]C(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701553 193294628 /nfs/dbraw/zinc/29/46/28/193294628.db2.gz NXTGNPSVIWXEEA-CABCVRRESA-N 1 0 304.500 2.462 10 0 DEAERO Cc1ccc([C@H](C[NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093701655 193294816 /nfs/dbraw/zinc/29/48/16/193294816.db2.gz ZCYSRQYKCRMEQQ-HOCLYGCPSA-N 1 0 310.463 2.099 10 0 DEAERO [NH3+][C@H](Cc1c[nH]cn1)c1nc2cc(F)c(Br)cc2[nH]1 ZINC000093728651 193297028 /nfs/dbraw/zinc/29/70/28/193297028.db2.gz SUZQVXCMIIMEJJ-SECBINFHSA-N 1 0 324.157 2.430 10 0 DEAERO COC(=O)[C@]1(N)CCC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093756675 193301481 /nfs/dbraw/zinc/30/14/81/193301481.db2.gz IPISGOAFRIKOGT-AAEUAGOBSA-N 1 0 308.344 2.074 10 0 DEAERO Cc1csc(S[C@@H]2CCC[C@@]([NH2+]C3CC3)(C(N)=O)C2)n1 ZINC000093778066 193304449 /nfs/dbraw/zinc/30/44/49/193304449.db2.gz ZMGDBJDEGUPTAV-RISCZKNCSA-N 1 0 311.476 2.462 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2cc(F)ccc2F)C1 ZINC000093778264 193305664 /nfs/dbraw/zinc/30/56/64/193305664.db2.gz FCCMUELAMPUOOJ-IINYFYTJSA-N 1 0 300.374 2.443 10 0 DEAERO CC[NH2+][C@H](c1cscc1Br)[C@@H]1CN(C)CCO1 ZINC000093654999 193284704 /nfs/dbraw/zinc/28/47/04/193284704.db2.gz PDJGZYOFZLSORL-NWDGAFQWSA-N 1 0 319.268 2.492 10 0 DEAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000094023756 193339552 /nfs/dbraw/zinc/33/95/52/193339552.db2.gz SCZJUQOFRHLXOB-UHFFFAOYSA-N 1 0 320.817 2.099 10 0 DEAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000094006493 193338375 /nfs/dbraw/zinc/33/83/75/193338375.db2.gz UPWYUEDVIGGKDQ-UHFFFAOYSA-N 1 0 314.426 2.007 10 0 DEAERO Cc1ccc(S(=O)(=O)NC2C(C)(C)C([NH3+])C2(C)C)c(C)c1 ZINC000094006456 193338414 /nfs/dbraw/zinc/33/84/14/193338414.db2.gz NKLAIUKKDDBZQO-UHFFFAOYSA-N 1 0 310.463 2.344 10 0 DEAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)CC1CCCCC1 ZINC000094006547 193338682 /nfs/dbraw/zinc/33/86/82/193338682.db2.gz RMMHHTIWPKNLTE-UHFFFAOYSA-N 1 0 302.484 2.248 10 0 DEAERO CC[NH2+][C@]1(C(N)=O)CC[C@H](n2ccnc2-c2cccs2)C1 ZINC000093833583 193315221 /nfs/dbraw/zinc/31/52/21/193315221.db2.gz ZTQZBNWFGQJFPZ-XHDPSFHLSA-N 1 0 304.419 2.170 10 0 DEAERO COc1ccc(S[C@@H]2CC[C@]([NH2+]C3CC3)(C(N)=O)C2)cc1 ZINC000093850425 193317733 /nfs/dbraw/zinc/31/77/33/193317733.db2.gz WCPPGQJVGDICTO-GDBMZVCRSA-N 1 0 306.431 2.316 10 0 DEAERO CC[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2ccc(F)cc2F)C1 ZINC000093848924 193317807 /nfs/dbraw/zinc/31/78/07/193317807.db2.gz BNHWNQSWYKCZRH-YGRLFVJLSA-N 1 0 300.374 2.443 10 0 DEAERO CCc1nn(C)c(CN(C)CC(C)(C)C[NH3+])c1Br ZINC000093874206 193322599 /nfs/dbraw/zinc/32/25/99/193322599.db2.gz OMCCAYKJPRGVKM-UHFFFAOYSA-N 1 0 317.275 2.162 10 0 DEAERO C[NH2+][C@H](c1cccc(Cl)c1Cl)[C@@H]1CN(C)CCN1C ZINC000093894341 193323634 /nfs/dbraw/zinc/32/36/34/193323634.db2.gz JGHNXRHYDVPCPF-GXTWGEPZSA-N 1 0 302.249 2.500 10 0 DEAERO C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CN(C)CCN1C ZINC000093894767 193324593 /nfs/dbraw/zinc/32/45/93/193324593.db2.gz QBKZXIIGKNUKKO-KBPBESRZSA-N 1 0 301.356 2.212 10 0 DEAERO C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1CN(C)CCN1C ZINC000093894769 193325013 /nfs/dbraw/zinc/32/50/13/193325013.db2.gz QBKZXIIGKNUKKO-KGLIPLIRSA-N 1 0 301.356 2.212 10 0 DEAERO CC(C)N(CC1CC[NH2+]CC1)S(=O)(=O)C1CCCCC1 ZINC000094024084 193339247 /nfs/dbraw/zinc/33/92/47/193339247.db2.gz VVMZOFJNDPEGCX-UHFFFAOYSA-N 1 0 302.484 2.359 10 0 DEAERO CCC[NH2+][C@@H](Cc1csc(C)n1)[C@@H]1CN(C(C)C)CCO1 ZINC000093928714 193329454 /nfs/dbraw/zinc/32/94/54/193329454.db2.gz SYGNVKSAVHEMFF-HOTGVXAUSA-N 1 0 311.495 2.471 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CCS(C)(=O)=O ZINC000094297104 193356542 /nfs/dbraw/zinc/35/65/42/193356542.db2.gz YHXCGAPWAQZICU-KBPBESRZSA-N 1 0 318.870 2.095 10 0 DEAERO C[NH2+][C@H]1[C@H](CN2CCN(CC(F)(F)F)CC2)CCC1(C)C ZINC000094318372 193359742 /nfs/dbraw/zinc/35/97/42/193359742.db2.gz HNLFPIVIBNSSGG-STQMWFEESA-N 1 0 307.404 2.191 10 0 DEAERO C[NH+]1CCC(Nc2nc(C(F)(F)F)ccc2C(N)=S)CC1 ZINC000094335942 193360310 /nfs/dbraw/zinc/36/03/10/193360310.db2.gz AWFQPXAUGYEQPW-UHFFFAOYSA-N 1 0 318.368 2.241 10 0 DEAERO CC(C)[N@H+](C)CCNc1nc(C(F)(F)F)ccc1C(N)=S ZINC000094336158 193360867 /nfs/dbraw/zinc/36/08/67/193360867.db2.gz SSKHPYVBUCXRGX-UHFFFAOYSA-N 1 0 320.384 2.487 10 0 DEAERO CC(C)[C@@H](C)NC(=O)COc1c(F)cc(CC[NH3+])cc1F ZINC000094349915 193363217 /nfs/dbraw/zinc/36/32/17/193363217.db2.gz MUYVIVJGGPLLEJ-SNVBAGLBSA-N 1 0 300.349 2.006 10 0 DEAERO CC[C@H](C)NC(=O)[C@@H](C)Oc1c(F)cc(CC[NH3+])cc1F ZINC000094349653 193363535 /nfs/dbraw/zinc/36/35/35/193363535.db2.gz KFVWCIUDNGJMRH-VHSXEESVSA-N 1 0 300.349 2.148 10 0 DEAERO CCN(CC)C(=O)[C@@H](C)Oc1c(F)cc(CC[NH3+])cc1F ZINC000094349887 193363673 /nfs/dbraw/zinc/36/36/73/193363673.db2.gz DSXJBMIPZMTVBV-SNVBAGLBSA-N 1 0 300.349 2.102 10 0 DEAERO CC[C@@H](C)NC(=O)COc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350321 193363767 /nfs/dbraw/zinc/36/37/67/193363767.db2.gz NZFNZKRPMUSIMP-VHSXEESVSA-N 1 0 300.349 2.148 10 0 DEAERO CCCN(CC1CC[NH2+]CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000094043872 193341124 /nfs/dbraw/zinc/34/11/24/193341124.db2.gz FOEMIOMMKMXZST-UHFFFAOYSA-N 1 0 310.463 2.306 10 0 DEAERO CSCC[C@H]([NH3+])C(=O)Nc1cc(C)c(Br)cn1 ZINC000094063527 193342486 /nfs/dbraw/zinc/34/24/86/193342486.db2.gz JBRDIJRZKULVPF-VIFPVBQESA-N 1 0 318.240 2.171 10 0 DEAERO CC[NH2+][C@H](c1cc(C)c(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000094077964 193344049 /nfs/dbraw/zinc/34/40/49/193344049.db2.gz ZFQRTMAGRWTXCM-YGRLFVJLSA-N 1 0 303.374 2.359 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1c1nc(-c2ncc(Cl)cc2Cl)no1 ZINC000094199324 193348565 /nfs/dbraw/zinc/34/85/65/193348565.db2.gz LVJLRYQEIPGZKS-CBAPKCEASA-N 1 0 315.160 2.140 10 0 DEAERO CN1CCO[C@@H](c2nc(-c3ccccc3)c(CC[NH3+])s2)C1 ZINC000094198738 193348703 /nfs/dbraw/zinc/34/87/03/193348703.db2.gz SJLDFBIZVUYWEU-CYBMUJFWSA-N 1 0 303.431 2.314 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@H](Oc2cccc3c2CC[C@@H]3[NH3+])C1 ZINC000094634512 193386485 /nfs/dbraw/zinc/38/64/85/193386485.db2.gz VUEYUNRFNBOYMA-JMSVASOKSA-N 1 0 309.431 2.367 10 0 DEAERO CC(C)([C@H](O)[C@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC000094641332 193388773 /nfs/dbraw/zinc/38/87/73/193388773.db2.gz KUAWRUZZGIWMDV-SOUVJXGZSA-N 1 0 317.495 2.215 10 0 DEAERO CC(C)(C)[NH2+]Cc1ccn([C@H]2CCC[C@H](S(C)(=O)=O)C2)n1 ZINC000094644460 193389688 /nfs/dbraw/zinc/38/96/88/193389688.db2.gz XXFSVPSNEFSNSB-KBPBESRZSA-N 1 0 313.467 2.300 10 0 DEAERO C[NH2+]Cc1cc(Br)c(O[C@@H](C)[C@H](C)O)c(OC)c1 ZINC000094653061 193390790 /nfs/dbraw/zinc/39/07/90/193390790.db2.gz UAAPAJYOHVNDRP-IUCAKERBSA-N 1 0 318.211 2.325 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)c(O[C@H](C)[C@H](C)O)c(OC)c1 ZINC000094653295 193390983 /nfs/dbraw/zinc/39/09/83/193390983.db2.gz AXZFTRKWMSQCKC-WDEREUQCSA-N 1 0 317.813 2.233 10 0 DEAERO CC(C)(C)[NH2+]Cc1cn([C@@H]2CCO[C@]3(CCSC3)C2)nn1 ZINC000094419106 193368549 /nfs/dbraw/zinc/36/85/49/193368549.db2.gz AGVWYGBJNDHTLD-UKRRQHHQSA-N 1 0 310.467 2.393 10 0 DEAERO CC(C)(C)[NH2+]Cc1cn([C@H]2CCO[C@@]3(CCSC3)C2)nn1 ZINC000094419109 193368669 /nfs/dbraw/zinc/36/86/69/193368669.db2.gz AGVWYGBJNDHTLD-ZFWWWQNUSA-N 1 0 310.467 2.393 10 0 DEAERO Cc1cccc(N2CCN([C@@]3(C[NH3+])CS[C@H](C)C3)CC2)c1 ZINC000094473260 193372760 /nfs/dbraw/zinc/37/27/60/193372760.db2.gz HYCXEYWJXSVGIA-WBVHZDCISA-N 1 0 305.491 2.340 10 0 DEAERO C[NH2+][C@H]1CC(C)(C)Cc2nc([C@H]3CN4CCN3CC4)sc21 ZINC000094511059 193376049 /nfs/dbraw/zinc/37/60/49/193376049.db2.gz SLWNXGZVUQCWJA-WCQYABFASA-N 1 0 306.479 2.048 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](C)C[C@H]([NH3+])C1 ZINC000094550450 193378812 /nfs/dbraw/zinc/37/88/12/193378812.db2.gz USNPPUSPSAOPSK-ONGXEEELSA-N 1 0 302.827 2.006 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)Cc2cccc(Br)c2)C1 ZINC000094549432 193378937 /nfs/dbraw/zinc/37/89/37/193378937.db2.gz ZRSGPVHYHQSMLC-ZWNOBZJWSA-N 1 0 311.223 2.187 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)c3cccnc23)O1 ZINC000094567378 193381039 /nfs/dbraw/zinc/38/10/39/193381039.db2.gz INMHHGCABAGNLH-ZANVPECISA-N 1 0 305.765 2.333 10 0 DEAERO [NH3+]Cc1ccc(C(=O)NCc2cc(Br)cs2)o1 ZINC000094572309 193381600 /nfs/dbraw/zinc/38/16/00/193381600.db2.gz WMCSFNFCJOAAHL-UHFFFAOYSA-N 1 0 315.192 2.492 10 0 DEAERO CCN(c1nc2ccc(Cl)cn2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094607583 193384402 /nfs/dbraw/zinc/38/44/02/193384402.db2.gz HIAHIABQHJJHBG-FUNVUKJBSA-N 1 0 305.813 2.492 10 0 DEAERO [NH3+]CCc1ccc(CNc2nc3ccc(Cl)cn3n2)cc1 ZINC000094607759 193384451 /nfs/dbraw/zinc/38/44/51/193384451.db2.gz NSHSRUZXUIWGIO-UHFFFAOYSA-N 1 0 301.781 2.496 10 0 DEAERO CC(C)C[C@@H](C[NH3+])Nc1nc2ccc(Br)cn2n1 ZINC000094608294 193384689 /nfs/dbraw/zinc/38/46/89/193384689.db2.gz ZVBRAOMTDCOKIP-JTQLQIEISA-N 1 0 312.215 2.277 10 0 DEAERO C[NH2+][C@@H](C)c1ccnc(N2CCN(CC(F)(F)F)CC2)c1 ZINC000094999587 193411841 /nfs/dbraw/zinc/41/18/41/193411841.db2.gz XTINCKAFJWWUSJ-NSHDSACASA-N 1 0 302.344 2.046 10 0 DEAERO C[NH2+]Cc1ccc(Cl)c(S(=O)(=O)N2CCC(C)(C)C2)c1 ZINC000094815012 193399817 /nfs/dbraw/zinc/39/98/17/193399817.db2.gz KQAMAUKGECEUOG-UHFFFAOYSA-N 1 0 316.854 2.480 10 0 DEAERO O=C(C[C@@H]1COC[C@H]2C[N@@H+](C3CCC3)C[C@H]21)NCc1ccco1 ZINC000096040863 193494059 /nfs/dbraw/zinc/49/40/59/193494059.db2.gz UBYZQWROFDWPLU-CPUCHLNUSA-N 1 0 318.417 2.033 10 0 DEAERO O=C(N[C@H]1CCOc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246540899 284215344 /nfs/dbraw/zinc/21/53/44/284215344.db2.gz XKFWVIXJUXVNSF-HOCLYGCPSA-N 1 0 315.417 2.390 10 0 DEAERO COCCN(Cc1c(C)nn(C)c1C)Cc1cccc(O)c1 ZINC000453608905 245217133 /nfs/dbraw/zinc/21/71/33/245217133.db2.gz HYEAUKFQJFFXNQ-UHFFFAOYSA-N 1 0 303.406 2.391 10 0 DEAERO O=C(N[C@H]1COc2ccccc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171668981 284254754 /nfs/dbraw/zinc/25/47/54/284254754.db2.gz MRKGMPYHHZJNTK-HOCLYGCPSA-N 1 0 315.417 2.390 10 0 DEAERO Cc1ccc2ncnc(NCC3([NH+](C)C)CCOCC3)c2c1 ZINC000265077440 204381371 /nfs/dbraw/zinc/38/13/71/204381371.db2.gz QKRYGBKXVGHMNH-UHFFFAOYSA-N 1 0 300.406 2.461 10 0 DEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000282536123 217069361 /nfs/dbraw/zinc/06/93/61/217069361.db2.gz ZKUSNDVMRPYGCL-VXNVDRBHSA-N 1 0 303.225 2.267 10 0 DEAERO C[NH2+][C@H](CC[C@@H](C)OC)Cc1c(Br)c(C)nn1C ZINC000097278766 193703583 /nfs/dbraw/zinc/70/35/83/193703583.db2.gz BNWOZBJCMYACJH-MWLCHTKSSA-N 1 0 318.259 2.437 10 0 DEAERO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)[nH]c2c1C(=O)CCC2 ZINC000266103256 205100691 /nfs/dbraw/zinc/10/06/91/205100691.db2.gz SITOPOPQRDDRKT-DGCLKSJQSA-N 1 0 317.433 2.397 10 0 DEAERO C[NH+](C)[C@@H]1CCN(c2cc(F)c(Br)cc2N)C1 ZINC000097369503 193711709 /nfs/dbraw/zinc/71/17/09/193711709.db2.gz YADCQNFOFRWYRS-MRVPVSSYSA-N 1 0 302.191 2.311 10 0 DEAERO O=C(c1cc2c(s1)CCOC2)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186535228 296193214 /nfs/dbraw/zinc/19/32/14/296193214.db2.gz YJRXCXCYODYDOI-LBPRGKRZSA-N 1 0 306.431 2.177 10 0 DEAERO COC(=O)c1ccccc1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000161809054 197520432 /nfs/dbraw/zinc/52/04/32/197520432.db2.gz CDFZEGMZFMWKDU-UHFFFAOYSA-N 1 0 319.405 2.468 10 0 DEAERO CC[N@H+](CC(=O)NC[C@H]1COC2(CCCCCC2)O1)C1CC1 ZINC000183130873 284399591 /nfs/dbraw/zinc/39/95/91/284399591.db2.gz YAMXGLDWQAAMBP-HNNXBMFYSA-N 1 0 310.438 2.053 10 0 DEAERO Cc1ccc(COc2ccc(CNCC[NH2+]CCO)cc2)cc1 ZINC000020873772 182250986 /nfs/dbraw/zinc/25/09/86/182250986.db2.gz KSIKZWPHFDICDU-UHFFFAOYSA-N 1 0 314.429 2.246 10 0 DEAERO CC(C)(C)[NH2+]Cc1ccnc(NC2CCS(=O)CC2)c1F ZINC000097875446 193765182 /nfs/dbraw/zinc/76/51/82/193765182.db2.gz JZQCOWHJGKHVEA-UHFFFAOYSA-N 1 0 313.442 2.432 10 0 DEAERO Cc1c(C(=O)N2CCC[C@H]2C[NH+](C)C)oc2c1C(=O)CCC2 ZINC000267510966 206117230 /nfs/dbraw/zinc/11/72/30/206117230.db2.gz IPFSNQXPYFPRMC-LBPRGKRZSA-N 1 0 304.390 2.273 10 0 DEAERO C[NH+](C)CCCOC1CCN(C(=O)NCCCC2CC2)CC1 ZINC000530898756 284482030 /nfs/dbraw/zinc/48/20/30/284482030.db2.gz LYYJFYBXLJFGAF-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(OC)cc1C ZINC000036076762 182795448 /nfs/dbraw/zinc/79/54/48/182795448.db2.gz HFDHEWGQSJNUKP-CYBMUJFWSA-N 1 0 314.451 2.012 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000037003300 182860218 /nfs/dbraw/zinc/86/02/18/182860218.db2.gz MNOMHKHADAOXNH-ZANVPECISA-N 1 0 311.813 2.354 10 0 DEAERO NC(=O)c1cc(NC(=O)[C@@H]([NH3+])c2ccccc2)ccc1Cl ZINC000037027912 182861821 /nfs/dbraw/zinc/86/18/21/182861821.db2.gz DQNFTGWPDOFJEY-ZDUSSCGKSA-N 1 0 303.749 2.077 10 0 DEAERO C[C@@H](c1nc(C(C)(C)C)no1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189952898 296245197 /nfs/dbraw/zinc/24/51/97/296245197.db2.gz SXXDGBGKHYGLDV-OLZOCXBDSA-N 1 0 324.469 2.205 10 0 DEAERO O=C(Nc1cccc(Cl)c1-n1cccn1)[C@@H]1CCC[NH2+]C1 ZINC000037766257 182924224 /nfs/dbraw/zinc/92/42/24/182924224.db2.gz OTONTNXLTZOAOX-LLVKDONJSA-N 1 0 304.781 2.464 10 0 DEAERO C[C@H]1C[NH+](CCC(=O)Nc2ccc(N)cc2Cl)C[C@H](C)O1 ZINC000040162727 183042435 /nfs/dbraw/zinc/04/24/35/183042435.db2.gz ILUQUBSHRSBROX-QWRGUYRKSA-N 1 0 311.813 2.360 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000040633635 183111702 /nfs/dbraw/zinc/11/17/02/183111702.db2.gz CLFBUXYQEIRTAH-TVQRCGJNSA-N 1 0 305.765 2.204 10 0 DEAERO CC(C)(C)NNc1[nH+]cnc(NCCc2cccs2)c1N ZINC000040796736 183135404 /nfs/dbraw/zinc/13/54/04/183135404.db2.gz VPRZLRVKNOCJSL-UHFFFAOYSA-N 1 0 306.439 2.490 10 0 DEAERO COC(=O)c1c(NC(=O)[C@@H]([NH3+])CC(C)C)sc2c1CCC2 ZINC000040858844 183143325 /nfs/dbraw/zinc/14/33/25/183143325.db2.gz NXUIPUUQLBKEGD-JTQLQIEISA-N 1 0 310.419 2.335 10 0 DEAERO CCCc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749923 183128655 /nfs/dbraw/zinc/12/86/55/183128655.db2.gz CGWGLBQYJLFBCH-GOOCMWNKSA-N 1 0 308.447 2.282 10 0 DEAERO CC[NH+](CC)CCSCC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000174681778 284653809 /nfs/dbraw/zinc/65/38/09/284653809.db2.gz AIWQWYJCINZKBE-CABCVRRESA-N 1 0 314.495 2.231 10 0 DEAERO COC(=O)[C@@H](C)C[NH2+]Cc1cc(Br)ccc1F ZINC000041069410 183162589 /nfs/dbraw/zinc/16/25/89/183162589.db2.gz QFDZDXNTBKLTQR-QMMMGPOBSA-N 1 0 304.159 2.487 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]1)Nc1cccc(Cl)c1-n1cncn1 ZINC000042167445 183238195 /nfs/dbraw/zinc/23/81/95/183238195.db2.gz QUDSAQBKVDOXBI-SNVBAGLBSA-N 1 0 305.769 2.001 10 0 DEAERO COCC[NH2+]CCN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000042427991 183269216 /nfs/dbraw/zinc/26/92/16/183269216.db2.gz BVRGEOREHXNFFM-UHFFFAOYSA-N 1 0 306.328 2.253 10 0 DEAERO CC1(C)COCCN1[C@H](C[NH3+])c1ccc(Br)o1 ZINC000042461406 183272897 /nfs/dbraw/zinc/27/28/97/183272897.db2.gz MEONEHXBAQIXBS-SECBINFHSA-N 1 0 303.200 2.153 10 0 DEAERO CCN(CCOC)[C@@H](C[NH3+])c1ccccc1Br ZINC000042492640 183276225 /nfs/dbraw/zinc/27/62/25/183276225.db2.gz CIWHYFNGVBATME-ZDUSSCGKSA-N 1 0 301.228 2.417 10 0 DEAERO CCN(CCOC)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042492561 183276504 /nfs/dbraw/zinc/27/65/04/183276504.db2.gz LIVMIDLAFGXJAI-ZDUSSCGKSA-N 1 0 301.228 2.417 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCC[C@@H]1C(=O)N(C)C ZINC000043014543 183327607 /nfs/dbraw/zinc/32/76/07/183327607.db2.gz WCXGXLMDUHLYAQ-DFBGVHRSSA-N 1 0 309.841 2.281 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(CC(N)=O)C1CCCC1 ZINC000043015967 183327717 /nfs/dbraw/zinc/32/77/17/183327717.db2.gz ABQGUYAHVHPELO-BZNIZROVSA-N 1 0 309.841 2.458 10 0 DEAERO [NH3+]C[C@H](c1cccc(Br)c1)N1CCC(CO)CC1 ZINC000043020261 183328563 /nfs/dbraw/zinc/32/85/63/183328563.db2.gz LYUNMTGYWLEUJH-CQSZACIVSA-N 1 0 313.239 2.153 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCC(O)CC1 ZINC000043019951 183328982 /nfs/dbraw/zinc/32/89/82/183328982.db2.gz SDGIQWNOWANVPY-YGRLFVJLSA-N 1 0 313.239 2.294 10 0 DEAERO COc1ccc2cc([C@H]([NH3+])[C@H]3CCS(=O)(=O)C3)ccc2c1 ZINC000043299895 183351431 /nfs/dbraw/zinc/35/14/31/183351431.db2.gz RSBUXWTYMDOQNO-HOCLYGCPSA-N 1 0 305.399 2.283 10 0 DEAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043301288 183352445 /nfs/dbraw/zinc/35/24/45/183352445.db2.gz GWHAAWVRHCIKAB-IINYFYTJSA-N 1 0 303.374 2.440 10 0 DEAERO C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300513 183352481 /nfs/dbraw/zinc/35/24/81/183352481.db2.gz UHZAGXBXDXEPGJ-ZYHUDNBSSA-N 1 0 307.337 2.401 10 0 DEAERO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCCC[C@H]2CC)C1 ZINC000043305222 183353099 /nfs/dbraw/zinc/35/30/99/183353099.db2.gz NQUIJXCSGWBOSL-OWCLPIDISA-N 1 0 324.465 2.441 10 0 DEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCN(c3nccs3)CC2)o1 ZINC000043363894 183357479 /nfs/dbraw/zinc/35/74/79/183357479.db2.gz WKBGOXIUHLARHJ-TZMCWYRMSA-N 1 0 306.435 2.255 10 0 DEAERO C[C@H]([NH3+])[C@H](N1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000043376586 183357522 /nfs/dbraw/zinc/35/75/22/183357522.db2.gz FRLOJWOZFIMWLG-JSGCOSHPSA-N 1 0 301.356 2.082 10 0 DEAERO CCN(CCO)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043092363 183336148 /nfs/dbraw/zinc/33/61/48/183336148.db2.gz GHYGLRYMJGCERI-MFKMUULPSA-N 1 0 301.228 2.152 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1OCC(=O)OC(C)C ZINC000043446067 183364555 /nfs/dbraw/zinc/36/45/55/183364555.db2.gz BMNIAGYGRIHFJI-UHFFFAOYSA-N 1 0 316.195 2.499 10 0 DEAERO COCC[NH2+]CCN(C)Cc1sccc1Br ZINC000043675812 183379529 /nfs/dbraw/zinc/37/95/29/183379529.db2.gz BAVQDKPPXDRPDC-UHFFFAOYSA-N 1 0 307.257 2.178 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1OCCOC(C)C)OCCO2 ZINC000044064606 183393725 /nfs/dbraw/zinc/39/37/25/183393725.db2.gz FJEVCALKLLXZHV-HUUCEWRRSA-N 1 0 301.427 2.092 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(C(=O)NC)ccc1C ZINC000044181137 183397948 /nfs/dbraw/zinc/39/79/48/183397948.db2.gz OFGLUUXCWGGRDZ-ZDUSSCGKSA-N 1 0 320.437 2.206 10 0 DEAERO COC[C@H](C)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000189794492 335042186 /nfs/dbraw/zinc/04/21/86/335042186.db2.gz HOOKHCHUBRBWNW-CQSZACIVSA-N 1 0 311.470 2.365 10 0 DEAERO COC[C@H]1CN([C@@H]2CCc3ccccc3NC2=O)CC(C)(C)O1 ZINC000284449209 218032818 /nfs/dbraw/zinc/03/28/18/218032818.db2.gz CKUBTSXKNLICGB-GDBMZVCRSA-N 1 0 318.417 2.066 10 0 DEAERO COCc1cc(N2CCC(C[NH3+])CC2)nc(-c2ccccc2)n1 ZINC000045947208 183538646 /nfs/dbraw/zinc/53/86/46/183538646.db2.gz VYFFCGZYVSHBII-UHFFFAOYSA-N 1 0 312.417 2.465 10 0 DEAERO COCc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000105122301 194076834 /nfs/dbraw/zinc/07/68/34/194076834.db2.gz ICFYRBFFAXZRRU-QGZVFWFLSA-N 1 0 317.433 2.213 10 0 DEAERO Cc1cccc(OCC[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000284735276 218154840 /nfs/dbraw/zinc/15/48/40/218154840.db2.gz INZGUJDMHVCDEH-KURKYZTESA-N 1 0 305.418 2.236 10 0 DEAERO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2COc3ccccc32)C1 ZINC000105205608 194085315 /nfs/dbraw/zinc/08/53/15/194085315.db2.gz FSYVNDQZWIGTBE-UKRRQHHQSA-N 1 0 303.406 2.151 10 0 DEAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000105471588 194106520 /nfs/dbraw/zinc/10/65/20/194106520.db2.gz SBBGWWKUYUECJZ-LBPRGKRZSA-N 1 0 306.378 2.156 10 0 DEAERO Cc1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000105617885 194115307 /nfs/dbraw/zinc/11/53/07/194115307.db2.gz PWGPAQHIRHMANU-ZDUSSCGKSA-N 1 0 314.426 2.287 10 0 DEAERO CC(C)[NH+]1CCC(N(C)C(=O)c2nnc(Cl)s2)CC1 ZINC000159759138 197361551 /nfs/dbraw/zinc/36/15/51/197361551.db2.gz BAGZFHYYJFWFHO-UHFFFAOYSA-N 1 0 302.831 2.136 10 0 DEAERO CCOc1ccc(NC(=O)[C@H](C)[NH2+]CCn2cc(C)cn2)cc1 ZINC000105881406 194155493 /nfs/dbraw/zinc/15/54/93/194155493.db2.gz UEAYVHNSURRVJP-AWEZNQCLSA-N 1 0 316.405 2.207 10 0 DEAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105895595 194162015 /nfs/dbraw/zinc/16/20/15/194162015.db2.gz KWDOSTMXATZAOR-LSDHHAIUSA-N 1 0 306.454 2.431 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC000106097768 194186340 /nfs/dbraw/zinc/18/63/40/194186340.db2.gz SXIFDRNOQHVCRE-QWHCGFSZSA-N 1 0 314.376 2.175 10 0 DEAERO CC[C@H]1CN(Cc2cc(-c3ccco3)on2)CC[N@@H+]1CCOC ZINC000106115288 194187729 /nfs/dbraw/zinc/18/77/29/194187729.db2.gz YTKMPDIXYUSRPT-HNNXBMFYSA-N 1 0 319.405 2.477 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](O)C(C)C)CC(C)C ZINC000153259908 284769541 /nfs/dbraw/zinc/76/95/41/284769541.db2.gz IPFGYBGZIBFVKN-HUUCEWRRSA-N 1 0 301.475 2.059 10 0 DEAERO FC(F)Oc1ccccc1C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000106380815 194204701 /nfs/dbraw/zinc/20/47/01/194204701.db2.gz KTXSTSHKVGJEBJ-AWEZNQCLSA-N 1 0 312.360 2.241 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000048765421 183685465 /nfs/dbraw/zinc/68/54/65/183685465.db2.gz VPBRRFPOOSFMNU-UHFFFAOYSA-N 1 0 324.833 2.320 10 0 DEAERO CN(CC[C@@H]1CCCC[NH2+]1)S(=O)(=O)CC1CCCCC1 ZINC000049043643 183705195 /nfs/dbraw/zinc/70/51/95/183705195.db2.gz INALGOSYEGXCCU-HNNXBMFYSA-N 1 0 302.484 2.361 10 0 DEAERO CC(C)[C@H]([NH2+]C[C@@H](O)COc1cnsn1)c1cccs1 ZINC000049556100 183741409 /nfs/dbraw/zinc/74/14/09/183741409.db2.gz ZXHDTJIIRJYWAF-MFKMUULPSA-N 1 0 313.448 2.326 10 0 DEAERO CCC(CC)(C[NH3+])N(C)S(=O)(=O)c1cc(F)ccc1F ZINC000050093683 183772876 /nfs/dbraw/zinc/77/28/76/183772876.db2.gz ZKNANGKIOOPKIW-UHFFFAOYSA-N 1 0 306.378 2.103 10 0 DEAERO Cc1ccc(CNS(=O)(=O)c2ccc(CC[NH3+])cc2)s1 ZINC000050226874 183778831 /nfs/dbraw/zinc/77/88/31/183778831.db2.gz VQBYBKBMWKOQIM-UHFFFAOYSA-N 1 0 310.444 2.036 10 0 DEAERO CCNc1ccc(Cl)c(C(=O)NCC(C)(C)C[NH+](C)C)n1 ZINC000050720022 183801949 /nfs/dbraw/zinc/80/19/49/183801949.db2.gz IFIYHIRAXJDPKP-UHFFFAOYSA-N 1 0 312.845 2.484 10 0 DEAERO CCc1ccc(CN2CC[NH+]([C@@H](CC)C(N)=S)CC2)s1 ZINC000109469657 194267472 /nfs/dbraw/zinc/26/74/72/194267472.db2.gz CBEUYMDFOWVTSO-AWEZNQCLSA-N 1 0 311.520 2.493 10 0 DEAERO C[C@H](c1noc(-c2cc3c(s2)CCC3)n1)N1CC[NH2+]CC1 ZINC000109473804 194268467 /nfs/dbraw/zinc/26/84/67/194268467.db2.gz JJFWIJSJTFNGLT-SNVBAGLBSA-N 1 0 304.419 2.253 10 0 DEAERO COC[C@@H]([NH3+])Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000109496400 194268754 /nfs/dbraw/zinc/26/87/54/194268754.db2.gz NLYPOADNMIFLSH-JTQLQIEISA-N 1 0 301.268 2.272 10 0 DEAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1c1nc(CS(C)(=O)=O)no1 ZINC000109512503 194270018 /nfs/dbraw/zinc/27/00/18/194270018.db2.gz GATWDEHQPBIJBT-NWDGAFQWSA-N 1 0 315.439 2.030 10 0 DEAERO c1ccc(OCC[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000109820997 194289244 /nfs/dbraw/zinc/28/92/44/194289244.db2.gz WEBMDLTZYWPUEL-KRWDZBQOSA-N 1 0 304.434 2.252 10 0 DEAERO C[C@@H]([NH2+]C(C)(C)CO)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551031 194338117 /nfs/dbraw/zinc/33/81/17/194338117.db2.gz SKVCLJQTYBJODT-CHWSQXEVSA-N 1 0 300.443 2.383 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCNC(=O)C1(C)C ZINC000110653432 194347200 /nfs/dbraw/zinc/34/72/00/194347200.db2.gz VOGLDRVZSSVPFY-CABZTGNLSA-N 1 0 315.870 2.390 10 0 DEAERO CC[C@@H]1C(=O)NCCN1[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000110677580 194348868 /nfs/dbraw/zinc/34/88/68/194348868.db2.gz AVLXWNJYSMPTAR-KBVBSXBZSA-N 1 0 301.843 2.000 10 0 DEAERO CC[C@H]1C(=O)NCCN1c1cccc(Cl)c1C[NH2+]C1CC1 ZINC000110682704 194349109 /nfs/dbraw/zinc/34/91/09/194349109.db2.gz LKENMEFJUMWAPF-AWEZNQCLSA-N 1 0 307.825 2.307 10 0 DEAERO O=S(=O)(c1ccc(NCC[C@H]2CC[NH2+]C2)cc1)C(F)(F)F ZINC000110798821 194359965 /nfs/dbraw/zinc/35/99/65/194359965.db2.gz HQSXFBYUZNYHTR-SNVBAGLBSA-N 1 0 322.352 2.392 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccccc1Br ZINC000054308913 183933834 /nfs/dbraw/zinc/93/38/34/183933834.db2.gz IADHGZKFSSRTQJ-LLVKDONJSA-N 1 0 311.223 2.455 10 0 DEAERO Cc1cc(Br)ccc1-n1nnnc1C[NH2+]C(C)C ZINC000054744411 183949579 /nfs/dbraw/zinc/94/95/79/183949579.db2.gz AEEJVRZXQBCWHH-UHFFFAOYSA-N 1 0 310.199 2.231 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1OCCOCCC)OCCO2 ZINC000111107643 194390826 /nfs/dbraw/zinc/39/08/26/194390826.db2.gz KKJGDMWADIHTRB-LSDHHAIUSA-N 1 0 301.427 2.093 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000111095808 194391403 /nfs/dbraw/zinc/39/14/03/194391403.db2.gz MDFSFVFZIOAHMK-RRFJBIMHSA-N 1 0 308.447 2.121 10 0 DEAERO CCOCC[N@H+](CC)CCCOc1ccc(C(N)=S)cc1 ZINC000111119351 194391834 /nfs/dbraw/zinc/39/18/34/194391834.db2.gz QDOCOJKPMFKKFF-UHFFFAOYSA-N 1 0 310.463 2.448 10 0 DEAERO C[C@](O)(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1COCC[NH2+]1 ZINC000156779706 197140728 /nfs/dbraw/zinc/14/07/28/197140728.db2.gz ZUEVQSJMCLKBJH-KGLIPLIRSA-N 1 0 303.324 2.377 10 0 DEAERO C[N@@H+](CC(=O)Nc1ccc(Cl)c(N)c1)C[C@H]1CCCOC1 ZINC000111155016 194396892 /nfs/dbraw/zinc/39/68/92/194396892.db2.gz CNUUICZFUVDFIS-LLVKDONJSA-N 1 0 311.813 2.219 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)Cc2ccc3c[nH]nc3c2)CC1 ZINC000554516181 291766665 /nfs/dbraw/zinc/76/66/65/291766665.db2.gz WEUINXDQYHCXCS-UHFFFAOYSA-N 1 0 314.433 2.344 10 0 DEAERO O=C1NCCC[C@H]1[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000310230825 284886170 /nfs/dbraw/zinc/88/61/70/284886170.db2.gz ZCPBWJBWFFIJDN-DTWKUNHWSA-N 1 0 315.236 2.366 10 0 DEAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)NC1CCCCCCC1 ZINC000061041553 184160935 /nfs/dbraw/zinc/16/09/35/184160935.db2.gz RLQJPLWLSZIARL-UHFFFAOYSA-N 1 0 307.482 2.386 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(OC)c(OC(F)F)c1 ZINC000061233767 184166639 /nfs/dbraw/zinc/16/66/39/184166639.db2.gz GOOYZZRXRAMAGP-VIFPVBQESA-N 1 0 302.321 2.481 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1nnc2ccccn21)c1cnn(C)c1 ZINC000061405847 184170212 /nfs/dbraw/zinc/17/02/12/184170212.db2.gz GYJPLBHEGYLNDQ-WCQYABFASA-N 1 0 302.407 2.034 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1ccc(Cl)cc1 ZINC000061592474 184175850 /nfs/dbraw/zinc/17/58/50/184175850.db2.gz VJTHECZLEYIMRG-MNOVXSKESA-N 1 0 312.826 2.333 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1ccccc1F ZINC000061594337 184176231 /nfs/dbraw/zinc/17/62/31/184176231.db2.gz DKERCKLQZMHUCC-VXGBXAGGSA-N 1 0 310.398 2.301 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1ccc(C)cc1 ZINC000061594185 184176267 /nfs/dbraw/zinc/17/62/67/184176267.db2.gz MWCQRFZWDSTLRZ-CHWSQXEVSA-N 1 0 306.435 2.470 10 0 DEAERO COc1ccccc1CCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605624 184177148 /nfs/dbraw/zinc/17/71/48/184177148.db2.gz KUHTXYMQVRAODX-UHFFFAOYSA-N 1 0 302.418 2.325 10 0 DEAERO CC(=O)Nc1ccc(F)c(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061604056 184177582 /nfs/dbraw/zinc/17/75/82/184177582.db2.gz KZRGJLXIPWHKFV-UHFFFAOYSA-N 1 0 319.380 2.094 10 0 DEAERO COC(=O)C[C@H](C)C[C@@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000061830462 184188910 /nfs/dbraw/zinc/18/89/10/184188910.db2.gz AGRBEGDLUWCCPI-PRHODGIISA-N 1 0 310.781 2.424 10 0 DEAERO C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000062028188 184202092 /nfs/dbraw/zinc/20/20/92/184202092.db2.gz KTIPMSKIGSSRFJ-OLZOCXBDSA-N 1 0 309.841 2.153 10 0 DEAERO COCCCN(C)[C@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000062029709 184202104 /nfs/dbraw/zinc/20/21/04/184202104.db2.gz IWQVAEFRSILOFQ-GFCCVEGCSA-N 1 0 300.786 2.037 10 0 DEAERO C[C@H](CN1C(=S)N=NC1c1ccncc1)C[NH+]1CCCC1 ZINC000062079517 184204588 /nfs/dbraw/zinc/20/45/88/184204588.db2.gz VNGIUYGXONSRKY-LBPRGKRZSA-N 1 0 303.435 2.361 10 0 DEAERO C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000062187557 184217173 /nfs/dbraw/zinc/21/71/73/184217173.db2.gz DLKNUTNQFFNGKD-CYBMUJFWSA-N 1 0 304.415 2.055 10 0 DEAERO COC(=O)[C@H](C)Oc1ccc(C[C@@H](C)[NH3+])cc1Br ZINC000062704517 184248702 /nfs/dbraw/zinc/24/87/02/184248702.db2.gz DRLWYOQLFVGHQE-BDAKNGLRSA-N 1 0 316.195 2.279 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCCO ZINC000062733059 184251206 /nfs/dbraw/zinc/25/12/06/184251206.db2.gz IKMORWNHKCCSTJ-UHFFFAOYSA-N 1 0 308.205 2.491 10 0 DEAERO CC(C)C[NH2+]Cc1c(N2CCOC[C@H]2C)nc2sccn12 ZINC000062735811 184251431 /nfs/dbraw/zinc/25/14/31/184251431.db2.gz OTVRKBXIIHIDQT-GFCCVEGCSA-N 1 0 308.451 2.367 10 0 DEAERO COC(=O)c1c(C)c(C)sc1NC(=O)C1(C)CC[NH2+]CC1 ZINC000062841189 184255461 /nfs/dbraw/zinc/25/54/61/184255461.db2.gz AAXVJBZDJBNROI-UHFFFAOYSA-N 1 0 310.419 2.480 10 0 DEAERO C[C@]1(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)CC[NH2+]C1 ZINC000062894681 184258954 /nfs/dbraw/zinc/25/89/54/184258954.db2.gz ZQNUTAVWKJSTBY-CJNGLKHVSA-N 1 0 308.447 2.255 10 0 DEAERO Brc1ccccc1-c1cc(N2CC[NH2+]CC2)n[nH]1 ZINC000062669905 184247117 /nfs/dbraw/zinc/24/71/17/184247117.db2.gz OAZRIRSQPBEMLU-UHFFFAOYSA-N 1 0 307.195 2.249 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000063210223 184278407 /nfs/dbraw/zinc/27/84/07/184278407.db2.gz YRELBWQABKRDRW-MNOVXSKESA-N 1 0 301.312 2.490 10 0 DEAERO C[C@@H]([NH2+]CCc1nccs1)c1ccc2c(c1)NC(=O)CO2 ZINC000063133624 184272969 /nfs/dbraw/zinc/27/29/69/184272969.db2.gz ZXSCNLWCCVGTRE-SNVBAGLBSA-N 1 0 303.387 2.367 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1C ZINC000063168132 184275777 /nfs/dbraw/zinc/27/57/77/184275777.db2.gz CSRKIRRGIOLVCS-CYBMUJFWSA-N 1 0 316.854 2.411 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000063175787 184276571 /nfs/dbraw/zinc/27/65/71/184276571.db2.gz KRUMIAREPSYOSA-IUCAKERBSA-N 1 0 309.218 2.152 10 0 DEAERO CN(C)C(=O)CCc1cccc(NC(=O)C[NH2+]C(C)(C)C)c1 ZINC000066212442 184397270 /nfs/dbraw/zinc/39/72/70/184397270.db2.gz JDDFEZIIGGWEGF-UHFFFAOYSA-N 1 0 305.422 2.034 10 0 DEAERO C[C@H]1CC[C@@H](NS(=O)(=O)CCC2CC[NH2+]CC2)C[C@@H]1C ZINC000068585577 184492799 /nfs/dbraw/zinc/49/27/99/184492799.db2.gz IVFOBHYVLSNPBG-KCQAQPDRSA-N 1 0 302.484 2.120 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000538187394 285027263 /nfs/dbraw/zinc/02/72/63/285027263.db2.gz GEVBQHHQHHLHFH-BNOWGMLFSA-N 1 0 315.360 2.172 10 0 DEAERO CCc1cc(=O)[nH]c(CN2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000119894247 195056971 /nfs/dbraw/zinc/05/69/71/195056971.db2.gz DGUTVJWMKBOWCM-UHFFFAOYSA-N 1 0 304.438 2.052 10 0 DEAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)o1 ZINC000120002883 195077366 /nfs/dbraw/zinc/07/73/66/195077366.db2.gz XIMYJPZYPXUGQX-WCQYABFASA-N 1 0 302.378 2.112 10 0 DEAERO O=S1CCC(n2c3c(nc2C2CCCC2)C[NH2+]CC3)CC1 ZINC000159170096 197333130 /nfs/dbraw/zinc/33/31/30/197333130.db2.gz WJCBTISUFRGWIY-UHFFFAOYSA-N 1 0 307.463 2.270 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@H](C)CC2)cc(C[NH3+])c1F ZINC000159116259 197328474 /nfs/dbraw/zinc/32/84/74/197328474.db2.gz VQDCVTDIJLVBLP-NSHDSACASA-N 1 0 314.426 2.404 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)C2CC2)cc(C[NH2+]C(C)C)c1F ZINC000159061672 197323682 /nfs/dbraw/zinc/32/36/82/197323682.db2.gz ZPWBBRAZGAMEFK-UHFFFAOYSA-N 1 0 314.426 2.415 10 0 DEAERO Cc1nnc(-c2cccc(C(=O)N(C)CCC[NH+](C)C)c2)o1 ZINC000540515193 285119483 /nfs/dbraw/zinc/11/94/83/285119483.db2.gz AWWYCZAWYTUSIC-UHFFFAOYSA-N 1 0 302.378 2.069 10 0 DEAERO CC[C@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc(F)cc1C ZINC000159013701 197319313 /nfs/dbraw/zinc/31/93/13/197319313.db2.gz WJGLSSGGIULPBC-GXTWGEPZSA-N 1 0 314.426 2.191 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000159008359 197319138 /nfs/dbraw/zinc/31/91/38/197319138.db2.gz NVJTVDMQCKXMGA-GDBMZVCRSA-N 1 0 310.463 2.360 10 0 DEAERO CC(C)[NH+](CCNC(=O)[C@@H](C)Oc1cccc(CO)c1)C(C)C ZINC000158893229 197309072 /nfs/dbraw/zinc/30/90/72/197309072.db2.gz QEBFBADLWWBGAF-OAHLLOKOSA-N 1 0 322.449 2.181 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)c1ccccc1Cl)[C@H]1CCOC1 ZINC000158719055 197296265 /nfs/dbraw/zinc/29/62/65/197296265.db2.gz RGULCPGHJQQHPM-AAEUAGOBSA-N 1 0 317.838 2.128 10 0 DEAERO C[NH2+]Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000158746989 197298098 /nfs/dbraw/zinc/29/80/98/197298098.db2.gz RKBBTXXGYCQIAF-GJZGRUSLSA-N 1 0 308.447 2.135 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1C[NH3+] ZINC000158736418 197297899 /nfs/dbraw/zinc/29/78/99/197297899.db2.gz FWDWYHDEWVQFNH-OKILXGFUSA-N 1 0 308.447 2.183 10 0 DEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000158211289 197253001 /nfs/dbraw/zinc/25/30/01/197253001.db2.gz YVJPRQBKMJJHQF-YUELXQCFSA-N 1 0 308.447 2.388 10 0 DEAERO CN(C)C(=O)c1ccc(Cl)c(NC(=O)[C@H]([NH3+])C(C)(C)C)c1 ZINC000158236790 197255977 /nfs/dbraw/zinc/25/59/77/197255977.db2.gz XQUPYHPBIMKUPZ-LBPRGKRZSA-N 1 0 311.813 2.354 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1nc(-c2ccccc2)no1 ZINC000158158636 197248111 /nfs/dbraw/zinc/24/81/11/197248111.db2.gz XUCUPJMLAQEHOW-GOEBONIOSA-N 1 0 312.417 2.448 10 0 DEAERO O=S1CCC([NH2+]Cc2csc(-c3ccccn3)n2)CC1 ZINC000157953751 197230481 /nfs/dbraw/zinc/23/04/81/197230481.db2.gz DDBNULRHWAVDKP-UHFFFAOYSA-N 1 0 307.444 2.206 10 0 DEAERO C[C@@H]([NH2+]C1CCS(=O)CC1)c1cnn(-c2ccccc2)c1 ZINC000157944756 197229719 /nfs/dbraw/zinc/22/97/19/197229719.db2.gz RAGVOLDOHBEYBO-TZHTUTLZSA-N 1 0 303.431 2.434 10 0 DEAERO C[C@H]([NH2+]C1CCS(=O)CC1)c1cnn(-c2ccccc2)c1 ZINC000157944610 197229243 /nfs/dbraw/zinc/22/92/43/197229243.db2.gz RAGVOLDOHBEYBO-PCODGMICSA-N 1 0 303.431 2.434 10 0 DEAERO CCC[C@H](C(=O)N1CCC[C@@H](CCC(=O)OCC)C1)[NH+](C)C ZINC000120305048 195138436 /nfs/dbraw/zinc/13/84/36/195138436.db2.gz OCVBSJPWQUKXHL-LSDHHAIUSA-N 1 0 312.454 2.299 10 0 DEAERO COc1ccc(CC2CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)cc1 ZINC000157724240 197211281 /nfs/dbraw/zinc/21/12/81/197211281.db2.gz PAHKXTQTRUPMNT-AWEZNQCLSA-N 1 0 304.434 2.426 10 0 DEAERO CC[C@@](C)([C@H](O)c1c(Br)cnn1C)[NH+]1CCCC1 ZINC000157631869 197203845 /nfs/dbraw/zinc/20/38/45/197203845.db2.gz SDQYLOMSJZSENV-OLZOCXBDSA-N 1 0 316.243 2.481 10 0 DEAERO CCN[C@](C)(CCCC[N@H+](C)CCOCC)C(=O)OCC ZINC000157468032 197189724 /nfs/dbraw/zinc/18/97/24/197189724.db2.gz AMOGRZWPEGXDAB-MRXNPFEDSA-N 1 0 302.459 2.056 10 0 DEAERO Nc1cnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000157446855 197188026 /nfs/dbraw/zinc/18/80/26/197188026.db2.gz CGSDVHTZTOOGHH-GHMZBOCLSA-N 1 0 311.227 2.465 10 0 DEAERO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000157299499 197177957 /nfs/dbraw/zinc/17/79/57/197177957.db2.gz RLSAUMPIXKIFGC-HUUCEWRRSA-N 1 0 310.463 2.317 10 0 DEAERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)N(C)CCOC(C)C)c1 ZINC000157293515 197176902 /nfs/dbraw/zinc/17/69/02/197176902.db2.gz GFIOMXGBHHNEHU-HNNXBMFYSA-N 1 0 314.451 2.142 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2ccccc2O)C1 ZINC000157030876 197156441 /nfs/dbraw/zinc/15/64/41/197156441.db2.gz FRTLLIUUAKMIIG-HZPDHXFCSA-N 1 0 302.418 2.268 10 0 DEAERO C[C@@](O)(C[C@H]1COCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000156821319 197142714 /nfs/dbraw/zinc/14/27/14/197142714.db2.gz WNXQGUHHCBKIFS-WCQYABFASA-N 1 0 305.296 2.171 10 0 DEAERO CSC(C)(C)CNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000156874204 197146789 /nfs/dbraw/zinc/14/67/89/197146789.db2.gz WZPFZHVVSGCUPG-JTQLQIEISA-N 1 0 302.465 2.126 10 0 DEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCC(C)(C)SC)c1 ZINC000156875050 197146527 /nfs/dbraw/zinc/14/65/27/197146527.db2.gz FKNZISUPTBFIIS-NSHDSACASA-N 1 0 316.492 2.387 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000156258406 197099839 /nfs/dbraw/zinc/09/98/39/197099839.db2.gz CXTZBUGMFHYFFY-UWVGGRQHSA-N 1 0 322.352 2.296 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccccc1S(=O)(=O)C(F)(F)F ZINC000156241834 197097832 /nfs/dbraw/zinc/09/78/32/197097832.db2.gz CNEKEJIKJMVGGO-UWVGGRQHSA-N 1 0 322.352 2.296 10 0 DEAERO C[NH2+]CCc1nnc(-c2cccc(F)c2Br)o1 ZINC000156184239 197092803 /nfs/dbraw/zinc/09/28/03/197092803.db2.gz LHCHJNMWLCRUSK-UHFFFAOYSA-N 1 0 300.131 2.400 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000156092022 197085998 /nfs/dbraw/zinc/08/59/98/197085998.db2.gz VEJCTHUYBWKSHY-RITPCOANSA-N 1 0 308.250 2.334 10 0 DEAERO CC(C)[C@@](C)(C[NH3+])Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000155986091 197078508 /nfs/dbraw/zinc/07/85/08/197078508.db2.gz HHXQHIJMTMJSKI-CYBMUJFWSA-N 1 0 306.378 2.468 10 0 DEAERO C[NH2+][C@H]1CCCN(C(=O)c2cccc(F)c2Br)C1 ZINC000155981146 197078570 /nfs/dbraw/zinc/07/85/70/197078570.db2.gz HQPYGKMOUMJKHJ-VIFPVBQESA-N 1 0 315.186 2.412 10 0 DEAERO C[C@@H]1C[C@H](Nc2ccc(F)c(NS(C)(=O)=O)c2)CC[N@@H+]1C ZINC000155962812 197077266 /nfs/dbraw/zinc/07/72/66/197077266.db2.gz YBCBYQRJWONPDP-ZYHUDNBSSA-N 1 0 315.414 2.092 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3[C@H](C)C[N@@H+](C)C[C@@H]3C)cc2)c1 ZINC000155005891 197012640 /nfs/dbraw/zinc/01/26/40/197012640.db2.gz DXHFCPHFKSBGNI-GASCZTMLSA-N 1 0 312.417 2.345 10 0 DEAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](O)C(C)C)C1 ZINC000154959994 197007839 /nfs/dbraw/zinc/00/78/39/197007839.db2.gz NJPGCCLGAHTNHE-GJZGRUSLSA-N 1 0 313.486 2.203 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(Br)n1 ZINC000154913964 197005410 /nfs/dbraw/zinc/00/54/10/197005410.db2.gz XCNSWRSLFAZQLW-JTQLQIEISA-N 1 0 314.227 2.304 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000120534668 195185009 /nfs/dbraw/zinc/18/50/09/195185009.db2.gz ZMOAZKBNUSMWSC-CABCVRRESA-N 1 0 317.433 2.183 10 0 DEAERO COCC[N@@H+]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1C ZINC000120798223 195240036 /nfs/dbraw/zinc/24/00/36/195240036.db2.gz OUSWMXJITNXQHK-HNNXBMFYSA-N 1 0 314.433 2.229 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000120773067 195234610 /nfs/dbraw/zinc/23/46/10/195234610.db2.gz HVNSZJPKKNFQKO-MRXNPFEDSA-N 1 0 319.449 2.170 10 0 DEAERO COc1cc(N)c(Cl)cc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000152816504 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CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000121022829 195281721 /nfs/dbraw/zinc/28/17/21/195281721.db2.gz LIIUBLDRUHOZBS-CYBMUJFWSA-N 1 0 317.433 2.039 10 0 DEAERO COc1ccc(OCCCNC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000544621019 285364476 /nfs/dbraw/zinc/36/44/76/285364476.db2.gz LRAXZELGRZCAJX-UHFFFAOYSA-N 1 0 323.437 2.057 10 0 DEAERO C[NH2+][C@@]1(CO)CC[C@H](Sc2ccc3c(c2)OCCCO3)C1 ZINC000124668221 195666323 /nfs/dbraw/zinc/66/63/23/195666323.db2.gz JLOFPPUWBRWNAR-BBRMVZONSA-N 1 0 309.431 2.443 10 0 DEAERO CCNc1ccc(Cl)c(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)n1 ZINC000125122070 195713784 /nfs/dbraw/zinc/71/37/84/195713784.db2.gz GQJSJGDRVMVYET-PWSUYJOCSA-N 1 0 310.829 2.189 10 0 DEAERO CN(C1CCCC1)S(=O)(=O)c1ccc(C[NH3+])cc1Cl ZINC000126185824 195818297 /nfs/dbraw/zinc/81/82/97/195818297.db2.gz IIZFSRRLAGALDW-UHFFFAOYSA-N 1 0 302.827 2.362 10 0 DEAERO C[NH2+]C[C@@H]1CN(Cc2csc(-c3ccccc3)n2)CCO1 ZINC000126494521 195844661 /nfs/dbraw/zinc/84/46/61/195844661.db2.gz YTOJMBXUOIDKQF-OAHLLOKOSA-N 1 0 303.431 2.230 10 0 DEAERO COC(=O)c1csc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000545171268 285392803 /nfs/dbraw/zinc/39/28/03/285392803.db2.gz QBKVBTLDUGSQSS-UHFFFAOYSA-N 1 0 323.418 2.308 10 0 DEAERO C/C=C(\CC)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000188466262 533437289 /nfs/dbraw/zinc/43/72/89/533437289.db2.gz YNTLGFXGTSAVDG-LOGLCJLVSA-N 1 0 305.466 2.112 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000562450595 291985833 /nfs/dbraw/zinc/98/58/33/291985833.db2.gz RQTUZAQEYVUIRW-AZUAARDMSA-N 1 0 321.424 2.326 10 0 DEAERO CCc1cnc(CCNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000176375610 132519379 /nfs/dbraw/zinc/51/93/79/132519379.db2.gz DNBCDBPIBARQRP-CHWSQXEVSA-N 1 0 324.494 2.420 10 0 DEAERO CSCCCC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000177099952 132524785 /nfs/dbraw/zinc/52/47/85/132524785.db2.gz NOZJNTSOQRXPPO-UHFFFAOYSA-N 1 0 302.484 2.089 10 0 DEAERO CC(C)c1nc([C@H]2CCCN2C(=O)NC2CC[NH+](C)CC2)no1 ZINC000177350414 132526863 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C[C@@H](CNC(=O)NCc1ccc2cc[nH]c2n1)C[NH+]1CCCC1 ZINC000357961990 133112293 /nfs/dbraw/zinc/11/22/93/133112293.db2.gz SKQZBGLCHYIFHC-ZDUSSCGKSA-N 1 0 315.421 2.094 10 0 DEAERO CC1=CCN(CC[NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000358146136 133124295 /nfs/dbraw/zinc/12/42/95/133124295.db2.gz WOZGWHMVPUUMET-UHFFFAOYSA-N 1 0 302.344 2.187 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@H](C)c2ccncc2)CC1 ZINC000358183500 133126813 /nfs/dbraw/zinc/12/68/13/133126813.db2.gz FDFWFOKOWCKBDW-OAHLLOKOSA-N 1 0 302.422 2.436 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)CCc2cccn2C)CC1 ZINC000358192321 133127168 /nfs/dbraw/zinc/12/71/68/133127168.db2.gz PVDDGSQIRKVPNR-INIZCTEOSA-N 1 0 318.465 2.297 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(C)CCOc2ccccc2)CC1 ZINC000358197188 133127453 /nfs/dbraw/zinc/12/74/53/133127453.db2.gz VRIKTRFTKDQCOM-UHFFFAOYSA-N 1 0 317.433 2.359 10 0 DEAERO CCC(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2C(=O)OC)C1 ZINC000360063385 133159601 /nfs/dbraw/zinc/15/96/01/133159601.db2.gz LNXCKUSCVGDFSZ-OAHLLOKOSA-N 1 0 318.417 2.006 10 0 DEAERO C[C@H]1CCOCCN1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000362253485 133220340 /nfs/dbraw/zinc/22/03/40/133220340.db2.gz DSODGRNAGOIUFB-GOEBONIOSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cccc2c1OCCO2 ZINC000368657323 133282506 /nfs/dbraw/zinc/28/25/06/133282506.db2.gz FTLCTOWDMOKCFM-KBPBESRZSA-N 1 0 316.401 2.157 10 0 DEAERO C[C@@H](C(=O)N(C)[C@@H](c1ccc(F)cc1)c1ncccn1)[C@H](C)[NH3+] ZINC000377208125 133322837 /nfs/dbraw/zinc/32/28/37/133322837.db2.gz PNFIHVREUOFNFM-XUJVJEKNSA-N 1 0 316.380 2.147 10 0 DEAERO O=C1[C@@H]([NH2+]C2CC(c3ccccn3)C2)CCN1CC(F)(F)F ZINC000377624349 133337863 /nfs/dbraw/zinc/33/78/63/133337863.db2.gz LBPIOBKFIWAMQB-XIVSLSHWSA-N 1 0 313.323 2.080 10 0 DEAERO COCC[NH2+]C[C@@H](C)N1CCN(c2ccccc2Cl)CC1 ZINC000053488919 134769386 /nfs/dbraw/zinc/76/93/86/134769386.db2.gz CDDYXFCLXIXHQL-CQSZACIVSA-N 1 0 311.857 2.087 10 0 DEAERO c1ccc(-n2nnnc2CC[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000564080997 292085267 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Cc1c(C(=O)N2CC[C@H](C[NH3+])C2)cnn1-c1ccccc1Cl ZINC000178543648 144860821 /nfs/dbraw/zinc/86/08/21/144860821.db2.gz MCIICISMSSGJCL-GFCCVEGCSA-N 1 0 318.808 2.255 10 0 DEAERO [NH3+]CCOc1ccc(NC(=O)[C@H]2Cc3cc(F)ccc3O2)cc1 ZINC000183260032 144927104 /nfs/dbraw/zinc/92/71/04/144927104.db2.gz QEPOVHMADWPWLI-MRXNPFEDSA-N 1 0 316.332 2.105 10 0 DEAERO COc1ccccc1CCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186520017 144984198 /nfs/dbraw/zinc/98/41/98/144984198.db2.gz RFJIPEPWDMDSEY-HNNXBMFYSA-N 1 0 302.418 2.371 10 0 DEAERO O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CC[NH+]2CCC1CC2 ZINC000188667545 145015827 /nfs/dbraw/zinc/01/58/27/145015827.db2.gz OXDHRKULWMIIKV-QWHCGFSZSA-N 1 0 306.356 2.375 10 0 DEAERO COc1cccc(/C(C)=C/C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000188658045 145015968 /nfs/dbraw/zinc/01/59/68/145015968.db2.gz QBUQRFBDDJTECP-WYMLVPIESA-N 1 0 300.402 2.405 10 0 DEAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000188945870 145019761 /nfs/dbraw/zinc/01/97/61/145019761.db2.gz RAFLQWDEUZBJFA-OLZOCXBDSA-N 1 0 316.380 2.097 10 0 DEAERO COCc1cccc(CC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000189057308 145021517 /nfs/dbraw/zinc/02/15/17/145021517.db2.gz NJLLQKFWWGLVDR-UHFFFAOYSA-N 1 0 316.445 2.462 10 0 DEAERO COC(=O)CC1(CC(=O)N2CCC[N@@H+](C3CC3)CC2)CCCC1 ZINC000189199338 145023877 /nfs/dbraw/zinc/02/38/77/145023877.db2.gz LAEWJYAIPFMMGF-UHFFFAOYSA-N 1 0 322.449 2.197 10 0 DEAERO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1CCO ZINC000190243156 145040092 /nfs/dbraw/zinc/04/00/92/145040092.db2.gz FPJQFWZLFRRRSR-LLVKDONJSA-N 1 0 303.233 2.492 10 0 DEAERO Cc1noc(Cl)c1CCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190736473 145047022 /nfs/dbraw/zinc/04/70/22/145047022.db2.gz AJEMVKGOZRJKGK-NSHDSACASA-N 1 0 311.813 2.312 10 0 DEAERO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cn1 ZINC000191155073 145053474 /nfs/dbraw/zinc/05/34/74/145053474.db2.gz LYPOJXYZRPDLQT-INIZCTEOSA-N 1 0 314.437 2.041 10 0 DEAERO Cc1noc(C)c1C[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000191230332 145054787 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JFUJRLSRAYWQQS-GMTINNKDSA-N 1 0 320.477 2.461 10 0 DEAERO CC1(C)CN(C(=O)c2ccc(C(F)(F)F)nc2)CC[C@H]1[NH3+] ZINC000261724515 145220607 /nfs/dbraw/zinc/22/06/07/145220607.db2.gz QMIFSDCRFUDFRZ-SNVBAGLBSA-N 1 0 301.312 2.300 10 0 DEAERO C[C@@]1(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261729336 145221641 /nfs/dbraw/zinc/22/16/41/145221641.db2.gz HAMCOBRNCVQFKY-QGZVFWFLSA-N 1 0 321.852 2.097 10 0 DEAERO COC(=O)c1ccc(Cl)c(CN(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000261753608 145222879 /nfs/dbraw/zinc/22/28/79/145222879.db2.gz CJBLZAPPNGOTNT-AWEZNQCLSA-N 1 0 308.809 2.453 10 0 DEAERO CC(C)(CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc2c(c1)OCO2 ZINC000261761025 145223485 /nfs/dbraw/zinc/22/34/85/145223485.db2.gz NLJOXZYGRZVPTC-TZMCWYRMSA-N 1 0 318.417 2.184 10 0 DEAERO CC1CCC(OC2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)CC1 ZINC000261772525 145224852 /nfs/dbraw/zinc/22/48/52/145224852.db2.gz MLZLZDBLBTYCOP-MMADZMRASA-N 1 0 324.465 2.079 10 0 DEAERO Cc1nccn1-c1ncccc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000261810808 145228888 /nfs/dbraw/zinc/22/88/88/145228888.db2.gz GNAXVJGASYSPDT-KGLIPLIRSA-N 1 0 313.405 2.422 10 0 DEAERO [NH3+]C1(c2noc(-c3cccc(CN4CCCC4=O)c3)n2)CCC1 ZINC000261815988 145229659 /nfs/dbraw/zinc/22/96/59/145229659.db2.gz QCDVDIJGTUKOEH-UHFFFAOYSA-N 1 0 312.373 2.197 10 0 DEAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCCN2)c1 ZINC000261822041 145230796 /nfs/dbraw/zinc/23/07/96/145230796.db2.gz ASAQAJBUKBMMNN-MELADBBJSA-N 1 0 308.422 2.121 10 0 DEAERO CSc1ccccc1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261874331 145236360 /nfs/dbraw/zinc/23/63/60/145236360.db2.gz UBDLJFQLIKMRMJ-CYBMUJFWSA-N 1 0 314.476 2.156 10 0 DEAERO Cc1cc(C)cc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261875868 145236563 /nfs/dbraw/zinc/23/65/63/145236563.db2.gz DRJHEZCQNFQIPO-QRVBRYPASA-N 1 0 318.461 2.429 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261880446 145237374 /nfs/dbraw/zinc/23/73/74/145237374.db2.gz UASRREFSOCMKRO-MJBXVCDLSA-N 1 0 306.406 2.048 10 0 DEAERO C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccccc1-n1cccn1 ZINC000261897040 145238507 /nfs/dbraw/zinc/23/85/07/145238507.db2.gz YANSLQHPDAIHPC-GJZGRUSLSA-N 1 0 312.417 2.439 10 0 DEAERO Cc1cccc(CN(C)C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000261908722 145240511 /nfs/dbraw/zinc/24/05/11/145240511.db2.gz PWJBEEYRGWKSOU-JTDSTZFVSA-N 1 0 316.445 2.486 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)CCOCC1 ZINC000261911945 145241214 /nfs/dbraw/zinc/24/12/14/145241214.db2.gz TVQFSJGFCYBYBC-UHFFFAOYSA-N 1 0 314.389 2.277 10 0 DEAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ncc(-c2ccccc2)o1 ZINC000261929972 145243243 /nfs/dbraw/zinc/24/32/43/145243243.db2.gz WDDBEKRGNKDGRF-GFCCVEGCSA-N 1 0 315.373 2.027 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)COCCc1ccccc1 ZINC000261928663 145243270 /nfs/dbraw/zinc/24/32/70/145243270.db2.gz VZTGRTBHQZVPHH-GIOYIUAESA-N 1 0 316.445 2.268 10 0 DEAERO C[C@H](NC(=O)C(C)(C)C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261954849 145246623 /nfs/dbraw/zinc/24/66/23/145246623.db2.gz GNZBGFHBUCJEEN-JTQLQIEISA-N 1 0 302.378 2.419 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CSc1ccncc1 ZINC000261978981 145249520 /nfs/dbraw/zinc/24/95/20/145249520.db2.gz OLKYGMNPMLGPFG-ZAQWFSBCSA-N 1 0 305.447 2.196 10 0 DEAERO O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)c1ccc(Cl)cc1 ZINC000261994016 145250708 /nfs/dbraw/zinc/25/07/08/145250708.db2.gz TUXDRXFBKUQVOM-QBPKDAKJSA-N 1 0 324.852 2.120 10 0 DEAERO CC(C)c1ncc(Cl)c(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000262028155 145254801 /nfs/dbraw/zinc/25/48/01/145254801.db2.gz PFGFWGDJSPINNJ-NSHDSACASA-N 1 0 310.829 2.453 10 0 DEAERO CCN(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cn1 ZINC000262039426 145256128 /nfs/dbraw/zinc/25/61/28/145256128.db2.gz YEJQAIYFLZOZTN-QGZVFWFLSA-N 1 0 311.433 2.079 10 0 DEAERO Cn1cc(-c2ccc(CN(C3CC3)[C@H]3CC[NH2+]C3)s2)cn1 ZINC000262038313 145256194 /nfs/dbraw/zinc/25/61/94/145256194.db2.gz XZFVYNJXGLZLEA-AWEZNQCLSA-N 1 0 302.447 2.475 10 0 DEAERO C[C@@]1(C[NH3+])CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000262064628 145258273 /nfs/dbraw/zinc/25/82/73/145258273.db2.gz RYGAQAUTBBLJCW-INIZCTEOSA-N 1 0 318.808 2.337 10 0 DEAERO CCN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000262089210 145260547 /nfs/dbraw/zinc/26/05/47/145260547.db2.gz UPNAAGFYTQNJLU-FUHWJXTLSA-N 1 0 301.434 2.113 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)C1 ZINC000262255716 145272518 /nfs/dbraw/zinc/27/25/18/145272518.db2.gz FDUORFVQJJRONV-HZSPNIEDSA-N 1 0 318.421 2.171 10 0 DEAERO O=C(C[C@@H]1COCC[NH2+]1)NCc1ccc(-c2ccccc2)cc1 ZINC000262268675 145272758 /nfs/dbraw/zinc/27/27/58/145272758.db2.gz VLNYRQWGYSJHII-GOSISDBHSA-N 1 0 310.397 2.348 10 0 DEAERO [NH3+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3)C[C@H]1c1ccccc1 ZINC000262310624 145275544 /nfs/dbraw/zinc/27/55/44/145275544.db2.gz YXQWZUJJKXPNSZ-MSOLQXFVSA-N 1 0 321.424 2.469 10 0 DEAERO C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000262312657 145276018 /nfs/dbraw/zinc/27/60/18/145276018.db2.gz PZYFPBRJAJEBAN-MFKMUULPSA-N 1 0 316.323 2.261 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1CN1CCSCC1)C1C[NH2+]C1 ZINC000262322834 145276805 /nfs/dbraw/zinc/27/68/05/145276805.db2.gz FNLWHPXLIOHPJV-CYBMUJFWSA-N 1 0 319.474 2.029 10 0 DEAERO O=C(CN1CC[NH2+]CC12CCCCC2)Nc1ccccc1F ZINC000262356736 145278621 /nfs/dbraw/zinc/27/86/21/145278621.db2.gz VWIWGNKVOCFOKV-UHFFFAOYSA-N 1 0 305.397 2.372 10 0 DEAERO COCC1(C(=O)Nc2cccc([C@@H](C)OC)c2)CC[NH2+]CC1 ZINC000262380076 145279762 /nfs/dbraw/zinc/27/97/62/145279762.db2.gz NOXFICFGHHGLIO-CYBMUJFWSA-N 1 0 306.406 2.349 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1ccc(F)c(F)c1 ZINC000262402138 145281536 /nfs/dbraw/zinc/28/15/36/145281536.db2.gz CKSCIXWNPRZYDK-CKUKBARFSA-N 1 0 310.344 2.436 10 0 DEAERO Cc1cccc(N2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000262440255 145284219 /nfs/dbraw/zinc/28/42/19/145284219.db2.gz SSIDAHBHJAEUHP-HOTGVXAUSA-N 1 0 301.434 2.032 10 0 DEAERO C[C@H](C(=O)Nc1ccc(NC2CCOCC2)cc1)C1C[NH2+]C1 ZINC000262443020 145284581 /nfs/dbraw/zinc/28/45/81/145284581.db2.gz VCUNLYMXHVUXQR-LBPRGKRZSA-N 1 0 303.406 2.072 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1ccccc1Cl ZINC000262495933 145288400 /nfs/dbraw/zinc/28/84/00/145288400.db2.gz LJAUXGYBGFPTKF-DXCKQFNASA-N 1 0 322.836 2.489 10 0 DEAERO Cc1cc(NC(=O)[C@H](C)C2C[NH2+]C2)ccc1OC1CCOCC1 ZINC000262508375 145289130 /nfs/dbraw/zinc/28/91/30/145289130.db2.gz JIKQMXKJSGIWEF-CYBMUJFWSA-N 1 0 318.417 2.347 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1cccc(F)c1F ZINC000262505710 145289149 /nfs/dbraw/zinc/28/91/49/145289149.db2.gz MKMUOXCVWOPJPC-VAHXTSCQSA-N 1 0 310.344 2.436 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000262541834 145291499 /nfs/dbraw/zinc/29/14/99/145291499.db2.gz VWDUSPDHMYMFDV-CQSZACIVSA-N 1 0 318.417 2.246 10 0 DEAERO CN(C(=O)c1cc2ccccc2oc1=O)[C@H]1CCC[NH2+]CC1 ZINC000262552043 145292303 /nfs/dbraw/zinc/29/23/03/145292303.db2.gz SPLSLGDHVJIHPQ-ZDUSSCGKSA-N 1 0 300.358 2.007 10 0 DEAERO Cc1nc(-c2ccccc2)c(NC(=O)C[C@H]2COCC[NH2+]2)s1 ZINC000262567203 145293717 /nfs/dbraw/zinc/29/37/17/145293717.db2.gz RWSHFQHRTHETOE-ZDUSSCGKSA-N 1 0 317.414 2.436 10 0 DEAERO C[C@@H]1Cc2ccccc2N1C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262573568 145294518 /nfs/dbraw/zinc/29/45/18/145294518.db2.gz XTPLJDIEIIONND-CJNGLKHVSA-N 1 0 301.434 2.023 10 0 DEAERO COc1ccc(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])c(OC)c1 ZINC000262587089 145295432 /nfs/dbraw/zinc/29/54/32/145295432.db2.gz ZWHTWMSVWJNOBZ-IUODEOHRSA-N 1 0 306.406 2.228 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000262765693 145304206 /nfs/dbraw/zinc/30/42/06/145304206.db2.gz KUZHFGYCBKUGGA-MNOVXSKESA-N 1 0 316.492 2.322 10 0 DEAERO CC(C)n1cc2c(n1)C[C@H](NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])CC2 ZINC000262922893 145311763 /nfs/dbraw/zinc/31/17/63/145311763.db2.gz HDEYDRHBEFTOSD-RVKKMQEKSA-N 1 0 318.465 2.345 10 0 DEAERO O=C(CCC1CC[NH2+]CC1)NC[C@H](O)c1cccc(Cl)c1 ZINC000262964261 145314214 /nfs/dbraw/zinc/31/42/14/145314214.db2.gz KZKZPBOLFDTAEV-HNNXBMFYSA-N 1 0 310.825 2.269 10 0 DEAERO COc1ccc2c(CC(=O)N[C@H]3CC[NH2+][C@@H](C)C3)coc2c1 ZINC000262963717 145314438 /nfs/dbraw/zinc/31/44/38/145314438.db2.gz WVMHYIWCCFTFDS-AAEUAGOBSA-N 1 0 302.374 2.241 10 0 DEAERO CC[N@H+](CCN)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000263025927 145319103 /nfs/dbraw/zinc/31/91/03/145319103.db2.gz RJKTVPDMIRQRJY-UHFFFAOYSA-N 1 0 305.470 2.158 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(C[C@H]2CCCc3ccccc32)n1 ZINC000263153299 145330574 /nfs/dbraw/zinc/33/05/74/145330574.db2.gz DFBAEUBROJLRPL-GDBMZVCRSA-N 1 0 312.417 2.308 10 0 DEAERO Cc1noc(C2CCC(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])CC2)n1 ZINC000263168126 145331658 /nfs/dbraw/zinc/33/16/58/145331658.db2.gz FJLUDIFEHBYTMD-QKRUXVEJSA-N 1 0 320.437 2.428 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@@H]2c2ccc(F)cc2F)n1 ZINC000263210829 145336952 /nfs/dbraw/zinc/33/69/52/145336952.db2.gz KFYAPPXUZXXHQQ-MBNYWOFBSA-N 1 0 320.343 2.195 10 0 DEAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(-c2ccccc2)cc1F ZINC000263223035 145338097 /nfs/dbraw/zinc/33/80/97/145338097.db2.gz MFAMYEGCZQZLFR-FUHWJXTLSA-N 1 0 300.377 2.163 10 0 DEAERO Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000332829380 145389189 /nfs/dbraw/zinc/38/91/89/145389189.db2.gz CSFYWXAFCONIEZ-DFBGVHRSSA-N 1 0 320.437 2.131 10 0 DEAERO O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261931203 304339641 /nfs/dbraw/zinc/33/96/41/304339641.db2.gz SUZWMKULUHYGIP-LMMKCTJWSA-N 1 0 314.429 2.366 10 0 DEAERO O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261931205 304339381 /nfs/dbraw/zinc/33/93/81/304339381.db2.gz SUZWMKULUHYGIP-ZHALLVOQSA-N 1 0 314.429 2.366 10 0 DEAERO O=C1NCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000348101980 146216202 /nfs/dbraw/zinc/21/62/02/146216202.db2.gz KDEVGAJFOWVILD-HQSKLWIPSA-N 1 0 313.445 2.050 10 0 DEAERO c1nc(-c2ccncc2)sc1CN1CC[NH+]2CCC1CC2 ZINC000349301373 146366803 /nfs/dbraw/zinc/36/68/03/146366803.db2.gz UQPXVSUCKMGLKF-UHFFFAOYSA-N 1 0 300.431 2.485 10 0 DEAERO O[C@@H](CC[NH2+]Cc1ccc(Br)cn1)C(F)(F)F ZINC000349300404 146367041 /nfs/dbraw/zinc/36/70/41/146367041.db2.gz SSLCUQUTCWRTDH-VIFPVBQESA-N 1 0 313.117 2.247 10 0 DEAERO Cc1ccccc1CC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000357119847 147044899 /nfs/dbraw/zinc/04/48/99/147044899.db2.gz OPPGVEXECQDBSN-UHFFFAOYSA-N 1 0 308.381 2.423 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)c1noc(CC)n1 ZINC000358316209 147112008 /nfs/dbraw/zinc/11/20/08/147112008.db2.gz RWUHEWLZTGOAIG-LBPRGKRZSA-N 1 0 323.441 2.041 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1(CCO)CCCCC1 ZINC000358319573 147112540 /nfs/dbraw/zinc/11/25/40/147112540.db2.gz YNSWCYAIBBYZEW-OAHLLOKOSA-N 1 0 311.470 2.245 10 0 DEAERO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC(OCC(F)F)C1 ZINC000358365027 147120604 /nfs/dbraw/zinc/12/06/04/147120604.db2.gz CIQKGXLGIZLDIQ-UHFFFAOYSA-N 1 0 324.371 2.389 10 0 DEAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@](C)(O)C1CCCCC1 ZINC000359208650 147282419 /nfs/dbraw/zinc/28/24/19/147282419.db2.gz KAVPHVYDWNRLQL-QBIMZIAESA-N 1 0 323.481 2.100 10 0 DEAERO CCOCc1nc([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)no1 ZINC000359490975 147336507 /nfs/dbraw/zinc/33/65/07/147336507.db2.gz BYPBCICYEKRKBS-STQMWFEESA-N 1 0 324.425 2.048 10 0 DEAERO Cn1ccc(CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)n1 ZINC000361518006 147528364 /nfs/dbraw/zinc/52/83/64/147528364.db2.gz GXQAINWZZAIJFZ-UHFFFAOYSA-N 1 0 321.469 2.264 10 0 DEAERO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000371813945 148142767 /nfs/dbraw/zinc/14/27/67/148142767.db2.gz HSYHDKFTFDQYTI-PIIMJCKOSA-N 1 0 320.477 2.384 10 0 DEAERO C=Cn1cc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cn1 ZINC000374281959 148225493 /nfs/dbraw/zinc/22/54/93/148225493.db2.gz ZZAKMPZCTLPNIG-WMLDXEAASA-N 1 0 310.401 2.263 10 0 DEAERO FC(F)(F)COCC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375444546 148373641 /nfs/dbraw/zinc/37/36/41/148373641.db2.gz LIGUIYYQJXGXNT-JTQLQIEISA-N 1 0 305.300 2.315 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000073665450 401720046 /nfs/dbraw/zinc/72/00/46/401720046.db2.gz GAXRFQSEPZZTQL-OAHLLOKOSA-N 1 0 321.469 2.213 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000127110121 401720565 /nfs/dbraw/zinc/72/05/65/401720565.db2.gz UVKMGOFADWYPJK-GHMZBOCLSA-N 1 0 302.827 2.006 10 0 DEAERO C[C@H](O)C1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000111695707 401721782 /nfs/dbraw/zinc/72/17/82/401721782.db2.gz AQGPNIGSNWATHW-GJZGRUSLSA-N 1 0 316.445 2.053 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1C ZINC000111789309 401723766 /nfs/dbraw/zinc/72/37/66/401723766.db2.gz CLKCJFVWCABAAE-JKSUJKDBSA-N 1 0 319.449 2.466 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCc1ccccc1 ZINC000111792657 401723952 /nfs/dbraw/zinc/72/39/52/401723952.db2.gz UDIUZCOLPPXEGT-QGZVFWFLSA-N 1 0 319.449 2.029 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000111804101 401724369 /nfs/dbraw/zinc/72/43/69/401724369.db2.gz VGTQOOZKAFPRIM-ZIAGYGMSSA-N 1 0 309.410 2.059 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NC[C@@H](O)C(CC)CC)CC1 ZINC000111847408 401725775 /nfs/dbraw/zinc/72/57/75/401725775.db2.gz VJYWLISSQDSWIZ-MRXNPFEDSA-N 1 0 313.486 2.205 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](CC(C)C)C1 ZINC000074167516 401731941 /nfs/dbraw/zinc/73/19/41/401731941.db2.gz FCJFADNQCOKPOX-HZPDHXFCSA-N 1 0 311.470 2.175 10 0 DEAERO C[C@H](O)CC(C)(C)CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000074549336 401742143 /nfs/dbraw/zinc/74/21/43/401742143.db2.gz WTDROMWQGNMRRK-AWEZNQCLSA-N 1 0 311.470 2.053 10 0 DEAERO CC[C@@H]1CCCCCN1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000074657117 401743105 /nfs/dbraw/zinc/74/31/05/401743105.db2.gz IPKZKQVGLKNXKM-DLBZAZTESA-N 1 0 324.513 2.234 10 0 DEAERO CCc1cnc(CCNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)s1 ZINC000074841677 401744957 /nfs/dbraw/zinc/74/49/57/401744957.db2.gz RNLXPARNWPBVMG-ZDUSSCGKSA-N 1 0 324.494 2.231 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]C2CCN(c3ncccn3)CC2)C1(C)C ZINC000126346424 401690240 /nfs/dbraw/zinc/69/02/40/401690240.db2.gz ZGNAXGJLAHIDNK-GJZGRUSLSA-N 1 0 304.438 2.239 10 0 DEAERO COCC[N@H+](C)CCNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000073288325 401717266 /nfs/dbraw/zinc/71/72/66/401717266.db2.gz OHWLNTLDKIMLLF-UHFFFAOYSA-N 1 0 317.433 2.103 10 0 DEAERO COc1cc(C[NH2+]CCc2cscn2)cc2c1OCCO2 ZINC000111626600 401718939 /nfs/dbraw/zinc/71/89/39/401718939.db2.gz SFGYRFACNDSZRT-UHFFFAOYSA-N 1 0 306.387 2.255 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000111644610 401719425 /nfs/dbraw/zinc/71/94/25/401719425.db2.gz ZHZVFVCZQBGDNB-USXIJHARSA-N 1 0 304.434 2.185 10 0 DEAERO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)C[C@@H]2CCCO2)c1 ZINC000077020807 401803000 /nfs/dbraw/zinc/80/30/00/401803000.db2.gz HTKBTOBELCDDIP-KRWDZBQOSA-N 1 0 319.449 2.459 10 0 DEAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000129770708 401809078 /nfs/dbraw/zinc/80/90/78/401809078.db2.gz RJAYHGJKLNPBAW-CYBMUJFWSA-N 1 0 323.441 2.002 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)C1 ZINC000112635049 401751956 /nfs/dbraw/zinc/75/19/56/401751956.db2.gz NGRYLCCYQZCFDW-CYBMUJFWSA-N 1 0 322.840 2.111 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)CCO1 ZINC000127955543 401757088 /nfs/dbraw/zinc/75/70/88/401757088.db2.gz DYSYXTCHDSKIGY-QGZVFWFLSA-N 1 0 314.385 2.349 10 0 DEAERO CN1CCO[C@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000112838852 401759224 /nfs/dbraw/zinc/75/92/24/401759224.db2.gz MMEPZULRYCDOET-GFCCVEGCSA-N 1 0 320.767 2.362 10 0 DEAERO COc1ccccc1C[C@H]1CCC[N@@H+]1CCCN1CCOCC1 ZINC000075675369 401766331 /nfs/dbraw/zinc/76/63/31/401766331.db2.gz LKWXNHPIFPATFO-GOSISDBHSA-N 1 0 318.461 2.424 10 0 DEAERO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCN1CCOCC1 ZINC000075710818 401766990 /nfs/dbraw/zinc/76/69/90/401766990.db2.gz FPBXDEFFXQUPSJ-AEFFLSMTSA-N 1 0 304.434 2.171 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000113268170 401773885 /nfs/dbraw/zinc/77/38/85/401773885.db2.gz IPOSQPMEYHSTLB-CHWSQXEVSA-N 1 0 320.437 2.079 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(=O)oc2cc(O)ccc12 ZINC000113271187 401774613 /nfs/dbraw/zinc/77/46/13/401774613.db2.gz OKNJFSZHZXXISC-TZMCWYRMSA-N 1 0 314.385 2.167 10 0 DEAERO C[C@@H]1C[C@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000075977735 401776078 /nfs/dbraw/zinc/77/60/78/401776078.db2.gz JCZGTTGCONOIKO-RHSMWYFYSA-N 1 0 301.434 2.401 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(Cl)nc1 ZINC000113598176 401783117 /nfs/dbraw/zinc/78/31/17/401783117.db2.gz BXNZKYYAOGNHDY-DGCLKSJQSA-N 1 0 308.813 2.113 10 0 DEAERO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113593320 401783123 /nfs/dbraw/zinc/78/31/23/401783123.db2.gz NGOFDTBRFPGTHE-QZWWFDLISA-N 1 0 323.481 2.460 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc(F)ccc1F ZINC000113616917 401783753 /nfs/dbraw/zinc/78/37/53/401783753.db2.gz RISJBIGGYVEMOC-SMDDNHRTSA-N 1 0 309.360 2.343 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000076298717 401789660 /nfs/dbraw/zinc/78/96/60/401789660.db2.gz ODRWSNAXINUUMY-ZNMIVQPWSA-N 1 0 320.433 2.372 10 0 DEAERO Cc1ccccc1-c1nc(CN2CC[C@@H](C[NH+](C)C)C2)no1 ZINC000128876014 401795671 /nfs/dbraw/zinc/79/56/71/401795671.db2.gz BSXAVWYWOSSUTE-AWEZNQCLSA-N 1 0 300.406 2.429 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(CCOC)CC2)[C@H](C)C1 ZINC000130276611 401825634 /nfs/dbraw/zinc/82/56/34/401825634.db2.gz ABSJGLHMYOVIMQ-CABCVRRESA-N 1 0 311.470 2.175 10 0 DEAERO CC(C)(CNC(=O)NC[C@@H]1CCCC[C@@H]1O)[NH+]1CCCCC1 ZINC000077753379 401828810 /nfs/dbraw/zinc/82/88/10/401828810.db2.gz HEECTJHOLOODLY-GJZGRUSLSA-N 1 0 311.470 2.101 10 0 DEAERO CC1CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000025545444 401835278 /nfs/dbraw/zinc/83/52/78/401835278.db2.gz OAVBSVYSKILZHA-UHFFFAOYSA-N 1 0 312.417 2.220 10 0 DEAERO CC1(C)NC(=O)N(CC[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000026920676 401842485 /nfs/dbraw/zinc/84/24/85/401842485.db2.gz ALEIYUJDEOQBPH-UHFFFAOYSA-N 1 0 313.401 2.106 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)on1 ZINC000116252583 401847209 /nfs/dbraw/zinc/84/72/09/401847209.db2.gz ZYEHEYPOSDSXFK-SWLSCSKDSA-N 1 0 314.389 2.018 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H]1c1ccco1 ZINC000116422163 401852626 /nfs/dbraw/zinc/85/26/26/401852626.db2.gz HMAZGXQDXBQPRS-OAHLLOKOSA-N 1 0 321.421 2.239 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000131690874 401854668 /nfs/dbraw/zinc/85/46/68/401854668.db2.gz BDJRRHLVIHWFHK-RHSMWYFYSA-N 1 0 312.417 2.249 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCCS1 ZINC000131715631 401855697 /nfs/dbraw/zinc/85/56/97/401855697.db2.gz LQLTYZWZDMEVKP-ZDUSSCGKSA-N 1 0 308.447 2.252 10 0 DEAERO CCOC(=O)CCCC[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000132711727 401872528 /nfs/dbraw/zinc/87/25/28/401872528.db2.gz PBLYHWZUJGOWAZ-AWEZNQCLSA-N 1 0 309.410 2.366 10 0 DEAERO Cc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C)n1C(C)C ZINC000116792577 401859097 /nfs/dbraw/zinc/85/90/97/401859097.db2.gz SOUFFZHUHZMOOC-OAHLLOKOSA-N 1 0 307.438 2.088 10 0 DEAERO CCC[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116786489 401859235 /nfs/dbraw/zinc/85/92/35/401859235.db2.gz YTHBFBSBSXNGAC-SJORKVTESA-N 1 0 304.434 2.359 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)NCc2ccccc2)C[C@H]1CC ZINC000116928163 401864354 /nfs/dbraw/zinc/86/43/54/401864354.db2.gz KYJPAYGRNGWIOX-QGZVFWFLSA-N 1 0 319.449 2.329 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000132472191 401867865 /nfs/dbraw/zinc/86/78/65/401867865.db2.gz PXJDAQNNWVUWTP-YOEHRIQHSA-N 1 0 301.434 2.483 10 0 DEAERO CC1=C/C(=C/CCC[N@H+]2CCC[C@@H]2[C@@H]2C=C(C)C(=O)O2)OC1=O ZINC000014636766 401812587 /nfs/dbraw/zinc/81/25/87/401812587.db2.gz HSICZNIIIPFAAO-RWENTQQKSA-N 1 0 317.385 2.490 10 0 endogenous,in-man DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000031825891 401874684 /nfs/dbraw/zinc/87/46/84/401874684.db2.gz JDOHQVMFRBOVMN-AWEZNQCLSA-N 1 0 317.433 2.274 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000117399090 401876636 /nfs/dbraw/zinc/87/66/36/401876636.db2.gz HGWGGOFXKRWPOG-HNNXBMFYSA-N 1 0 309.385 2.400 10 0 DEAERO CCC(C)(C)NC(=O)C[NH2+][C@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000079922017 401883675 /nfs/dbraw/zinc/88/36/75/401883675.db2.gz QDUDXNCGICNGED-CJNGLKHVSA-N 1 0 320.433 2.431 10 0 DEAERO NC(=O)[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1 ZINC000133372904 401883775 /nfs/dbraw/zinc/88/37/75/401883775.db2.gz OKFYZKUBALYLIA-LSDHHAIUSA-N 1 0 306.381 2.434 10 0 DEAERO CCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034676465 401893312 /nfs/dbraw/zinc/89/33/12/401893312.db2.gz XASYNLGISHEREV-KRWDZBQOSA-N 1 0 319.424 2.349 10 0 DEAERO Cc1cc(C)cc(CCC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000134038413 401898189 /nfs/dbraw/zinc/89/81/89/401898189.db2.gz XBOGQBUSQAXCTH-QGZVFWFLSA-N 1 0 304.434 2.025 10 0 DEAERO CCC[C@@H]1C[N@H+](Cc2cncn2CC(C)C)C[C@H]1NC(C)=O ZINC000082096286 401900022 /nfs/dbraw/zinc/90/00/22/401900022.db2.gz TZUBYIJSLHOLPX-NVXWUHKLSA-N 1 0 306.454 2.276 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc(Br)cn1 ZINC000083704203 401901086 /nfs/dbraw/zinc/90/10/86/401901086.db2.gz YPNJLVNWJJUXOG-ZYHUDNBSSA-N 1 0 311.227 2.302 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C2CCS(=O)(=O)CC2)cc1F ZINC000036331444 401904352 /nfs/dbraw/zinc/90/43/52/401904352.db2.gz WMTODLXNPMMNOX-SNVBAGLBSA-N 1 0 301.383 2.062 10 0 DEAERO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000036720533 401907123 /nfs/dbraw/zinc/90/71/23/401907123.db2.gz UENRKFXTROXAJT-XVKPBYJWSA-N 1 0 308.687 2.020 10 0 DEAERO CCOC(=O)C[C@@H]([NH3+])c1cc(Br)ccc1OC ZINC000036894211 401908873 /nfs/dbraw/zinc/90/88/73/401908873.db2.gz INRFAXICCYJMTN-SNVBAGLBSA-N 1 0 302.168 2.411 10 0 DEAERO COc1cc(C[NH2+]C[C@@H]2CCOC2)cc(Br)c1O ZINC000037738272 401916730 /nfs/dbraw/zinc/91/67/30/401916730.db2.gz XGKVBUOMJXRGGZ-VIFPVBQESA-N 1 0 316.195 2.289 10 0 DEAERO CCC(CC)C[N@H+](CC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085797956 401918950 /nfs/dbraw/zinc/91/89/50/401918950.db2.gz VNBGTCGWVIRQSS-HNNXBMFYSA-N 1 0 304.500 2.416 10 0 DEAERO Cc1noc(CC[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)n1 ZINC000089518031 401950962 /nfs/dbraw/zinc/95/09/62/401950962.db2.gz KRJXSOSQZGAMBK-LLVKDONJSA-N 1 0 316.361 2.228 10 0 DEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000119491944 401954518 /nfs/dbraw/zinc/95/45/18/401954518.db2.gz HBJMQIVMOPMCBA-UONOGXRCSA-N 1 0 315.421 2.175 10 0 DEAERO Cc1ccc([C@@H]2COCCN2C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)o1 ZINC000091768599 401998061 /nfs/dbraw/zinc/99/80/61/401998061.db2.gz ZGPSRZMMLDXRIU-ILXRZTDVSA-N 1 0 321.421 2.154 10 0 DEAERO CCN(CCc1nccs1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000119828881 401968334 /nfs/dbraw/zinc/96/83/34/401968334.db2.gz YXAZLJSWPKQOMP-CYBMUJFWSA-N 1 0 310.467 2.059 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1COc2ccccc2C1 ZINC000046279816 401968394 /nfs/dbraw/zinc/96/83/94/401968394.db2.gz HTMDTYRKMWXLCY-HIFRSBDPSA-N 1 0 305.422 2.020 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@H](O)c2ccccc2)C1 ZINC000089330059 401942588 /nfs/dbraw/zinc/94/25/88/401942588.db2.gz UYMRFSFPIRDUNI-ZACQAIPSSA-N 1 0 302.418 2.053 10 0 DEAERO N[C@@H](C[NH3+])c1cc(Br)c(Br)s1 ZINC000044470150 401943337 /nfs/dbraw/zinc/94/33/37/401943337.db2.gz HLKUIHXLGJILOK-BYPYZUCNSA-N 1 0 300.019 2.232 10 0 DEAERO CCC[C@H](C(=O)NC[C@@H](C)N1CCc2ccccc21)[NH+](C)C ZINC000135650013 401949445 /nfs/dbraw/zinc/94/94/45/401949445.db2.gz UIUVYLJMDUHCMU-RHSMWYFYSA-N 1 0 303.450 2.284 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CCc2nc(C)no2)cc1NC(C)=O ZINC000089518393 401950459 /nfs/dbraw/zinc/95/04/59/401950459.db2.gz ZGBWZHDZOLVGCY-SNVBAGLBSA-N 1 0 318.377 2.238 10 0 DEAERO Cc1ccn(-c2ccccc2NC(=O)NC2CC[NH+](C)CC2)n1 ZINC000151046582 402012509 /nfs/dbraw/zinc/01/25/09/402012509.db2.gz HFNGRDKZUCUZKF-UHFFFAOYSA-N 1 0 313.405 2.396 10 0 DEAERO CC[C@H]1CCCCC[N@@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000093530203 402016387 /nfs/dbraw/zinc/01/63/87/402016387.db2.gz VLLPPSCDUNGJAM-KRWDZBQOSA-N 1 0 317.481 2.383 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2cccn2CCC(C)C)CC1 ZINC000093740491 402019656 /nfs/dbraw/zinc/01/96/56/402019656.db2.gz JJDGLERURPWGEK-KRWDZBQOSA-N 1 0 307.482 2.423 10 0 DEAERO Cc1cc(C)n2c(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)cnc2n1 ZINC000121227805 402021702 /nfs/dbraw/zinc/02/17/02/402021702.db2.gz UTVZJTBVCSYLDH-AWEZNQCLSA-N 1 0 310.405 2.449 10 0 DEAERO CCOCCN1CCN(CCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000122009028 402059313 /nfs/dbraw/zinc/05/93/13/402059313.db2.gz RXADCCNTOPWATP-HNNXBMFYSA-N 1 0 322.424 2.441 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CC(=O)c2ccc[nH]2)C1 ZINC000095085324 402024798 /nfs/dbraw/zinc/02/47/98/402024798.db2.gz RSRPECULASGANL-CYBMUJFWSA-N 1 0 321.421 2.434 10 0 DEAERO Fc1cccc(F)c1-n1ccc(CN2CC[NH+](C3CC3)CC2)n1 ZINC000151280981 402027396 /nfs/dbraw/zinc/02/73/96/402027396.db2.gz MVLLXWABOLFPSB-UHFFFAOYSA-N 1 0 318.371 2.431 10 0 DEAERO Cn1nc(C(=O)N[C@H]2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c2ccccc21 ZINC000095913225 402034435 /nfs/dbraw/zinc/03/44/35/402034435.db2.gz VUWPCONZAAXUOV-BFHYXJOUSA-N 1 0 312.417 2.318 10 0 DEAERO C[NH+](C)CCN1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000052633466 402045097 /nfs/dbraw/zinc/04/50/97/402045097.db2.gz YWXFKRFCHKEKPD-UHFFFAOYSA-N 1 0 311.429 2.159 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nc(C3CC3)cs2)C1 ZINC000151641443 402047920 /nfs/dbraw/zinc/04/79/20/402047920.db2.gz FEBQYWBKXIJUIV-GFCCVEGCSA-N 1 0 308.451 2.304 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000151664307 402049191 /nfs/dbraw/zinc/04/91/91/402049191.db2.gz VVJUGPIPYBQJLX-BZUAXINKSA-N 1 0 309.454 2.119 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC000120862425 402004686 /nfs/dbraw/zinc/00/46/86/402004686.db2.gz HLWYMVKAYDXLTB-HNNXBMFYSA-N 1 0 322.449 2.246 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000122610205 402087251 /nfs/dbraw/zinc/08/72/51/402087251.db2.gz OXLUVGLOMPQLRP-CVEARBPZSA-N 1 0 306.454 2.298 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cnn(Cc2ccccc2)c1 ZINC000152464892 402096416 /nfs/dbraw/zinc/09/64/16/402096416.db2.gz LGZFTFVWHVRBKL-WMLDXEAASA-N 1 0 312.417 2.203 10 0 DEAERO CCOCCN1CCN(Cc2nc(C3CCCC3)no2)C[C@@H]1C ZINC000152610472 402102001 /nfs/dbraw/zinc/10/20/01/402102001.db2.gz QALWGBHWYFIFCZ-AWEZNQCLSA-N 1 0 322.453 2.270 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)Nc2cccc(N(C)C)n2)CC1 ZINC000152684884 402103779 /nfs/dbraw/zinc/10/37/79/402103779.db2.gz XSFWHTZKISFGJE-UHFFFAOYSA-N 1 0 319.453 2.391 10 0 DEAERO O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[NH+]2CCC1CC2 ZINC000059282165 402104280 /nfs/dbraw/zinc/10/42/80/402104280.db2.gz OEMOUAXKAPAWRS-UHFFFAOYSA-N 1 0 314.364 2.136 10 0 DEAERO c1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc(C2CC2)n1 ZINC000123060303 402108499 /nfs/dbraw/zinc/10/84/99/402108499.db2.gz WTIXOQJOYJLCIF-CYBMUJFWSA-N 1 0 302.422 2.267 10 0 DEAERO COc1cc(C[NH2+]C[C@@H](C)Cn2ccnc2)cc2c1OCCO2 ZINC000062254734 402109685 /nfs/dbraw/zinc/10/96/85/402109685.db2.gz YWVDKNKRAFIRSN-CYBMUJFWSA-N 1 0 317.389 2.089 10 0 DEAERO CC[NH+](CC)CCOCCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000062272380 402109767 /nfs/dbraw/zinc/10/97/67/402109767.db2.gz BYRLFAUWVWPGTC-SJORKVTESA-N 1 0 304.434 2.265 10 0 DEAERO C[C@H]1C[C@@H](N(C)CC(=O)NCCC2CCCCC2)CC[N@@H+]1C ZINC000123114479 402111222 /nfs/dbraw/zinc/11/12/22/402111222.db2.gz YEPYTIQMUNNQKD-RDJZCZTQSA-N 1 0 309.498 2.488 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123131924 402111817 /nfs/dbraw/zinc/11/18/17/402111817.db2.gz ZUGDTIGDQPWBFP-BBRMVZONSA-N 1 0 318.417 2.209 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Cc2c(Cl)cccc2OC)C1 ZINC000153016099 402122242 /nfs/dbraw/zinc/12/22/42/402122242.db2.gz KLADPTWERLTRQB-GFCCVEGCSA-N 1 0 310.825 2.349 10 0 DEAERO COc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc(OC)c1O ZINC000152909195 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CC[C@](C)(O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000123448461 402128107 /nfs/dbraw/zinc/12/81/07/402128107.db2.gz CCYUMOSYSHUYOE-IBGZPJMESA-N 1 0 316.445 2.449 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)N2CCc3sccc3C2)CC[N@@H+]1C ZINC000123463169 402129199 /nfs/dbraw/zinc/12/91/99/402129199.db2.gz NUWCQTXDVOODJZ-HIFRSBDPSA-N 1 0 321.490 2.047 10 0 DEAERO C[C@H]1C[C@H](N(C)Cc2nnc(-c3ccccc3)n2C)CC[N@@H+]1C ZINC000123531575 402133119 /nfs/dbraw/zinc/13/31/19/402133119.db2.gz GBRHMHABCSQLOO-GOEBONIOSA-N 1 0 313.449 2.397 10 0 DEAERO CCCOc1cccc(CN2CC[NH+](C[C@H](O)CC)CC2)c1 ZINC000123574282 402135804 /nfs/dbraw/zinc/13/58/04/402135804.db2.gz VKKNCALNVXCJMI-QGZVFWFLSA-N 1 0 306.450 2.364 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(c2cccs2)CC1 ZINC000123588785 402136646 /nfs/dbraw/zinc/13/66/46/402136646.db2.gz RAEUXEDUNMGXJF-AWEZNQCLSA-N 1 0 324.494 2.310 10 0 DEAERO C[C@H]([NH2+]CCc1ccccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000123752338 402144632 /nfs/dbraw/zinc/14/46/32/402144632.db2.gz AKNFYDNSPHINES-LBPRGKRZSA-N 1 0 322.405 2.366 10 0 DEAERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CCC1CCCCC1 ZINC000101565727 402149060 /nfs/dbraw/zinc/14/90/60/402149060.db2.gz FVRFCSOZZAVAQN-CQSZACIVSA-N 1 0 323.481 2.014 10 0 DEAERO COc1c(C)cnc(C[NH+]2CCC(n3cncn3)CC2)c1C ZINC000067227449 402154872 /nfs/dbraw/zinc/15/48/72/402154872.db2.gz OTARNPLEUHELRH-UHFFFAOYSA-N 1 0 301.394 2.136 10 0 DEAERO CC(C)CO[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000154053260 402189300 /nfs/dbraw/zinc/18/93/00/402189300.db2.gz ORSGZARVELJQET-QZTJIDSGSA-N 1 0 318.461 2.433 10 0 DEAERO CC(C)CO[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000124647958 402189846 /nfs/dbraw/zinc/18/98/46/402189846.db2.gz JKJVYNMXOVNTHL-QZTJIDSGSA-N 1 0 307.434 2.311 10 0 DEAERO Cc1nn(C)c2sc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc12 ZINC000124708544 402192945 /nfs/dbraw/zinc/19/29/45/402192945.db2.gz DYIRFKMRBLOPJQ-ZYHUDNBSSA-N 1 0 320.462 2.498 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000104139165 402198786 /nfs/dbraw/zinc/19/87/86/402198786.db2.gz MWQCKCBOGDTAQZ-QGZVFWFLSA-N 1 0 312.417 2.363 10 0 DEAERO COc1ccc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000124123194 402165098 /nfs/dbraw/zinc/16/50/98/402165098.db2.gz LZZIYKIOYNAVIA-OAHLLOKOSA-N 1 0 304.434 2.380 10 0 DEAERO CCNC(=O)CC[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000102410425 402166943 /nfs/dbraw/zinc/16/69/43/402166943.db2.gz HHAKYHFIBRYGFS-UHFFFAOYSA-N 1 0 304.434 2.476 10 0 DEAERO CC[C@H](CO)NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067734225 402170413 /nfs/dbraw/zinc/17/04/13/402170413.db2.gz ZAUSCCODUSYPLG-SJORKVTESA-N 1 0 319.449 2.111 10 0 DEAERO COc1ccccc1C[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000153869606 402175977 /nfs/dbraw/zinc/17/59/77/402175977.db2.gz HFHNCRJZVHKKCB-JKSUJKDBSA-N 1 0 302.418 2.371 10 0 DEAERO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)CC3=CCCCC3)C2)cn1 ZINC000067878611 402177658 /nfs/dbraw/zinc/17/76/58/402177658.db2.gz AVEPDXHOWCATRW-INIZCTEOSA-N 1 0 316.449 2.249 10 0 DEAERO FC(F)Oc1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1 ZINC000106380095 402213520 /nfs/dbraw/zinc/21/35/20/402213520.db2.gz BUSUEZSAKPZAKX-HNNXBMFYSA-N 1 0 312.360 2.241 10 0 DEAERO Cc1oc(-c2ccsc2)nc1C[NH2+]C1(CO)CCOCC1 ZINC000069249115 402216575 /nfs/dbraw/zinc/21/65/75/402216575.db2.gz ZKXGEIMKNBLHQP-UHFFFAOYSA-N 1 0 308.403 2.343 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(N2CCOC2=O)cc1 ZINC000154530272 402216942 /nfs/dbraw/zinc/21/69/42/402216942.db2.gz NENISEVDKXVLBB-CJNGLKHVSA-N 1 0 303.406 2.388 10 0 DEAERO CSCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000070726056 402263510 /nfs/dbraw/zinc/26/35/10/402263510.db2.gz XLSHIMWYZSOGAQ-UHFFFAOYSA-N 1 0 307.463 2.438 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CCc1nc(C2CCCC2)no1 ZINC000155630837 402263690 /nfs/dbraw/zinc/26/36/90/402263690.db2.gz ANTBVZQOJBEYHN-CHWSQXEVSA-N 1 0 320.437 2.211 10 0 DEAERO COc1ccccc1C[C@@H](C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000107246905 402228682 /nfs/dbraw/zinc/22/86/82/402228682.db2.gz MOESILUBBVKFAJ-GDBMZVCRSA-N 1 0 304.434 2.426 10 0 DEAERO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(-c2ncon2)cc1 ZINC000107248352 402228894 /nfs/dbraw/zinc/22/88/94/402228894.db2.gz DPTGAVCMYIADAQ-OAHLLOKOSA-N 1 0 314.389 2.293 10 0 DEAERO c1cn(-c2ccc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)cc2)cn1 ZINC000069662471 402238079 /nfs/dbraw/zinc/23/80/79/402238079.db2.gz NVDXPDCDKSOWHE-QGZVFWFLSA-N 1 0 322.416 2.376 10 0 DEAERO CCc1nn(C)c(Cl)c1C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000154933752 402238756 /nfs/dbraw/zinc/23/87/56/402238756.db2.gz NZSOQOQIXOKOCB-LLVKDONJSA-N 1 0 312.845 2.192 10 0 DEAERO CCc1nc2c(s1)[C@H]([NH2+]C[C@@]1(CCO)CCOC1)CCC2 ZINC000125631054 402242805 /nfs/dbraw/zinc/24/28/05/402242805.db2.gz ALHAAQNSFKTXTK-MLGOLLRUSA-N 1 0 310.463 2.462 10 0 DEAERO COc1ccc(CC(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cc1 ZINC000069810433 402244906 /nfs/dbraw/zinc/24/49/06/402244906.db2.gz MPTPMKLNTOOSEV-SJORKVTESA-N 1 0 302.418 2.323 10 0 DEAERO O=C(NCc1cscn1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000125703316 402245956 /nfs/dbraw/zinc/24/59/56/402245956.db2.gz XYXCXKBOLPBMPS-SWLSCSKDSA-N 1 0 320.462 2.301 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)c(OC)c1 ZINC000125744414 402248416 /nfs/dbraw/zinc/24/84/16/402248416.db2.gz QZWWYKYEMFTUQK-DYVFJYSZSA-N 1 0 309.406 2.144 10 0 DEAERO COc1cc([C@H](C)[NH2+]CC(=O)NC(C)(C)C)cc(OC)c1OC ZINC000125780397 402249390 /nfs/dbraw/zinc/24/93/90/402249390.db2.gz WQPTXJDGFYASIS-NSHDSACASA-N 1 0 324.421 2.278 10 0 DEAERO [NH3+][C@@H]1CCN(c2ncccc2-c2nc(-c3cccs3)no2)C1 ZINC000070458066 402260799 /nfs/dbraw/zinc/26/07/99/402260799.db2.gz RPECEZLRZBFLEW-SNVBAGLBSA-N 1 0 313.386 2.398 10 0 DEAERO COc1ccc(-c2cc(N3CCC([NH3+])CC3)n[nH]2)cc1OC ZINC000070460098 402261572 /nfs/dbraw/zinc/26/15/72/402261572.db2.gz JLBZSNKWKFFFIC-UHFFFAOYSA-N 1 0 302.378 2.021 10 0 DEAERO CCCn1cc(CN2CCCN(C(=O)c3ccoc3)CC2)cn1 ZINC000105833486 402209431 /nfs/dbraw/zinc/20/94/31/402209431.db2.gz YUKZTZUQJZXPPL-UHFFFAOYSA-N 1 0 316.405 2.234 10 0 DEAERO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCC(C)CC3)C2)c1 ZINC000105899428 402210792 /nfs/dbraw/zinc/21/07/92/402210792.db2.gz GOGKVTODGFMBNQ-IRXDYDNUSA-N 1 0 318.465 2.475 10 0 DEAERO COCc1csc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000125087449 402212518 /nfs/dbraw/zinc/21/25/18/402212518.db2.gz LPPDFRBEGVSJDY-JQWIXIFHSA-N 1 0 312.439 2.140 10 0 DEAERO Oc1cccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000185071404 402322426 /nfs/dbraw/zinc/32/24/26/402322426.db2.gz KIGCAVRMULCSHH-UHFFFAOYSA-N 1 0 317.364 2.053 10 0 DEAERO COc1cccc([C@H]2C[C@H](O)C[N@@H+]2Cc2cnn(C)c2C)c1 ZINC000225730567 402322523 /nfs/dbraw/zinc/32/25/23/402322523.db2.gz YUMGFFCEFWEDQF-DOTOQJQBSA-N 1 0 301.390 2.045 10 0 DEAERO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000109005809 402266519 /nfs/dbraw/zinc/26/65/19/402266519.db2.gz IIDDVRNSSJQHLB-QGZVFWFLSA-N 1 0 312.417 2.388 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Br)s2)C1 ZINC000070916206 402267023 /nfs/dbraw/zinc/26/70/23/402267023.db2.gz ZDEYCVLPYWUUCM-MRVPVSSYSA-N 1 0 303.225 2.287 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cnccn1 ZINC000126198945 402268901 /nfs/dbraw/zinc/26/89/01/402268901.db2.gz YSNRKOGUUCXRPV-ZOBUZTSGSA-N 1 0 311.433 2.433 10 0 DEAERO CCONC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000155936238 402270669 /nfs/dbraw/zinc/27/06/69/402270669.db2.gz IUZGPJMBHYVFKB-JKSUJKDBSA-N 1 0 319.405 2.224 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCn1cnc2ccccc21 ZINC000126284725 402273156 /nfs/dbraw/zinc/27/31/56/402273156.db2.gz WFJYNORMKDRLSS-HNNXBMFYSA-N 1 0 314.433 2.417 10 0 DEAERO Cc1ccc(CCCC(=O)N2CCO[C@H](C[NH+](C)C)C2)s1 ZINC000176059627 402274808 /nfs/dbraw/zinc/27/48/08/402274808.db2.gz RWQFZBGAJYWWGT-CQSZACIVSA-N 1 0 310.463 2.168 10 0 DEAERO CCc1noc(CC)c1CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000176084714 402276836 /nfs/dbraw/zinc/27/68/36/402276836.db2.gz OXADOLZFVICNGI-CYBMUJFWSA-N 1 0 305.422 2.039 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(F)cc(F)c1 ZINC000110087644 402281019 /nfs/dbraw/zinc/28/10/19/402281019.db2.gz FNTMXDUCLJZBOL-CQSZACIVSA-N 1 0 313.348 2.197 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000216103836 402286524 /nfs/dbraw/zinc/28/65/24/402286524.db2.gz IPCJUVMGUFANPF-ONGXEEELSA-N 1 0 302.827 2.006 10 0 DEAERO CC[N@H+](CCc1ccccc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176630383 402324635 /nfs/dbraw/zinc/32/46/35/402324635.db2.gz CAVUDVGLCJRQBM-QGZVFWFLSA-N 1 0 324.490 2.223 10 0 DEAERO CC(C)C[NH+](CC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176629316 402324707 /nfs/dbraw/zinc/32/47/07/402324707.db2.gz NAIQSTZLSIHPDD-HNNXBMFYSA-N 1 0 304.500 2.272 10 0 DEAERO O=C(NCCc1cc(F)ccc1F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000176223081 402291811 /nfs/dbraw/zinc/29/18/11/402291811.db2.gz TUYNTZSBGKVDHU-LBPRGKRZSA-N 1 0 323.387 2.291 10 0 DEAERO CC(C)[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000176635095 402325248 /nfs/dbraw/zinc/32/52/48/402325248.db2.gz DGYKXCFPCAJKCS-CQSZACIVSA-N 1 0 302.484 2.311 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000158010086 402300666 /nfs/dbraw/zinc/30/06/66/402300666.db2.gz KQNDLGGGXGHLMX-QXSJWSMHSA-N 1 0 323.481 2.220 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](COC)c1ccco1 ZINC000176437752 402309604 /nfs/dbraw/zinc/30/96/04/402309604.db2.gz HEAIIMPCXZJNKM-KGLIPLIRSA-N 1 0 309.410 2.093 10 0 DEAERO CC(C)(C)OC(=O)NCC1(NCc2csnn2)CCCC1 ZINC000224822134 402314787 /nfs/dbraw/zinc/31/47/87/402314787.db2.gz ZILKEAFUXUQQES-UHFFFAOYSA-N 1 0 312.439 2.465 10 0 DEAERO CCc1cc(=O)[nH]c(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)n1 ZINC000225516426 402319891 /nfs/dbraw/zinc/31/98/91/402319891.db2.gz XLZBOQURGDPVPD-HUUCEWRRSA-N 1 0 317.364 2.192 10 0 DEAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(I)cc1 ZINC000228729414 402339923 /nfs/dbraw/zinc/33/99/23/402339923.db2.gz FWLSNYIJRBFHKV-UWVGGRQHSA-N 1 0 319.186 2.398 10 0 DEAERO COC[C@H](NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000176850458 402342965 /nfs/dbraw/zinc/34/29/65/402342965.db2.gz 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COCC1=CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000185704660 402370542 /nfs/dbraw/zinc/37/05/42/402370542.db2.gz ZZZCXZVORDFBBI-UHFFFAOYSA-N 1 0 309.454 2.095 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccccc1-n1cccn1 ZINC000177219130 402383063 /nfs/dbraw/zinc/38/30/63/402383063.db2.gz BPZHAYCRTPLQDF-JKSUJKDBSA-N 1 0 314.433 2.244 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NCC2(C[NH+](C)C)CCCC2)n1 ZINC000185883387 402385925 /nfs/dbraw/zinc/38/59/25/402385925.db2.gz CYUYBHPGKHMNSV-OAHLLOKOSA-N 1 0 306.454 2.299 10 0 DEAERO CCO[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C1(CC)CC ZINC000176676959 402327477 /nfs/dbraw/zinc/32/74/77/402327477.db2.gz PGJGJVWSSYBFJQ-RRFJBIMHSA-N 1 0 311.470 2.316 10 0 DEAERO CC(C)[C@@H](C)CC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000176674865 402327970 /nfs/dbraw/zinc/32/79/70/402327970.db2.gz SEWWSQUYAUVKTR-IRXDYDNUSA-N 1 0 309.498 2.297 10 0 DEAERO OCC[C@@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000227567722 402331955 /nfs/dbraw/zinc/33/19/55/402331955.db2.gz 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CCc1cnc(CNC(=O)N(C)C[C@H]2CCC[N@H+]2CC)s1 ZINC000177556722 402415390 /nfs/dbraw/zinc/41/53/90/402415390.db2.gz CJORLFBGZNTNHX-GFCCVEGCSA-N 1 0 310.467 2.331 10 0 DEAERO C[C@H](C(=O)NC[C@H]1CN(C)CCO1)c1ccc2ccccc2c1 ZINC000177629003 402421533 /nfs/dbraw/zinc/42/15/33/402421533.db2.gz WTWNRWYWQXMPGE-KSSFIOAISA-N 1 0 312.413 2.390 10 0 DEAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)NCC1CCCCC1 ZINC000186337708 402421960 /nfs/dbraw/zinc/42/19/60/402421960.db2.gz JKSXKJCXAGZPJD-QGZVFWFLSA-N 1 0 310.438 2.101 10 0 DEAERO Cc1ccn(-c2ccccc2NC(=O)C[C@@H]2CSCC[NH2+]2)n1 ZINC000237860582 402424006 /nfs/dbraw/zinc/42/40/06/402424006.db2.gz RYXVROOTPVPJHI-CYBMUJFWSA-N 1 0 316.430 2.214 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000237993274 402430742 /nfs/dbraw/zinc/43/07/42/402430742.db2.gz GWJZYSACYHUEED-JGVFFNPUSA-N 1 0 318.261 2.457 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000177755512 402432914 /nfs/dbraw/zinc/43/29/14/402432914.db2.gz 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DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000245480668 402464861 /nfs/dbraw/zinc/46/48/61/402464861.db2.gz XMXXABFTCUFXGN-YOEHRIQHSA-N 1 0 319.424 2.347 10 0 DEAERO Cc1cc(N2CC[C@H]([N@@H+]3CC[C@@H](CC(C)C)C3)C2=O)n(C)n1 ZINC000245484037 402465282 /nfs/dbraw/zinc/46/52/82/402465282.db2.gz GQCYNGBPMCCPCP-GJZGRUSLSA-N 1 0 304.438 2.202 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000164613397 402465428 /nfs/dbraw/zinc/46/54/28/402465428.db2.gz IWRDHPQLZAGAIA-MRVPVSSYSA-N 1 0 313.195 2.252 10 0 DEAERO CCC[C@H](C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)[NH+](C)C ZINC000245501357 402466485 /nfs/dbraw/zinc/46/64/85/402466485.db2.gz ARDMKEJXKMHCOV-FVQBIDKESA-N 1 0 317.433 2.027 10 0 DEAERO COCc1ccsc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000245526945 402468793 /nfs/dbraw/zinc/46/87/93/402468793.db2.gz PPJOAXBEKLHMKG-JSGCOSHPSA-N 1 0 308.447 2.451 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N(C)CC1(O)CCCCCC1 ZINC000186897711 402469756 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2.310 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000180852338 402628159 /nfs/dbraw/zinc/62/81/59/402628159.db2.gz RCEMYHKQQFIGSI-UHFFFAOYSA-N 1 0 308.813 2.115 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+]CC2(C)OCCCO2)cc1OC ZINC000190649177 402616035 /nfs/dbraw/zinc/61/60/35/402616035.db2.gz WLXNKAJLWZHTGB-ZDUSSCGKSA-N 1 0 309.406 2.378 10 0 DEAERO CCOc1cc(C)nc(N2CC[NH+]([C@@H]3C=CCCC3)CC2)n1 ZINC000171746428 402618096 /nfs/dbraw/zinc/61/80/96/402618096.db2.gz BAVMMRLTTNADOH-OAHLLOKOSA-N 1 0 302.422 2.414 10 0 DEAERO COc1ccccc1C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(C)C ZINC000180486573 402618146 /nfs/dbraw/zinc/61/81/46/402618146.db2.gz WGAKPZDORHDIKM-IRXDYDNUSA-N 1 0 306.450 2.183 10 0 DEAERO CCc1nnc(C2CC[NH+]([C@H]3Cc4ccccc4[C@H]3O)CC2)[nH]1 ZINC000190710834 402619942 /nfs/dbraw/zinc/61/99/42/402619942.db2.gz RBLKBQXBMPMPJR-DOTOQJQBSA-N 1 0 312.417 2.205 10 0 DEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc3c(c1)OCO3)CC2 ZINC000180631119 402622169 /nfs/dbraw/zinc/62/21/69/402622169.db2.gz HHTZGNZWDLINLF-YPMHNXCESA-N 1 0 314.389 2.235 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(F)cc3cccnc32)[C@H](C)C1 ZINC000249307742 402625919 /nfs/dbraw/zinc/62/59/19/402625919.db2.gz UKQCRGIQJBLAOG-KGLIPLIRSA-N 1 0 317.408 2.261 10 0 DEAERO COc1cccc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)n1 ZINC000171828934 402626212 /nfs/dbraw/zinc/62/62/12/402626212.db2.gz DEQMANSGCJVBMN-HNNXBMFYSA-N 1 0 315.421 2.211 10 0 DEAERO Nc1nc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)nc2ccccc12 ZINC000247881059 402577473 /nfs/dbraw/zinc/57/74/73/402577473.db2.gz BRUBGYDOYFWOLW-SCLBCKFNSA-N 1 0 312.417 2.339 10 0 DEAERO O=C(NCCCOC1CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171899179 402632390 /nfs/dbraw/zinc/63/23/90/402632390.db2.gz MMNIZXIXXBZKRR-OAHLLOKOSA-N 1 0 309.454 2.215 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC(C)C)c2)[C@H](C)C1 ZINC000181162366 402636359 /nfs/dbraw/zinc/63/63/59/402636359.db2.gz ADOIGVBDKKTTND-GDBMZVCRSA-N 1 0 306.454 2.341 10 0 DEAERO Cc1cccc(OCCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000172134960 402642211 /nfs/dbraw/zinc/64/22/11/402642211.db2.gz CSWKCIKKWKTLJC-HOTGVXAUSA-N 1 0 317.433 2.252 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)NC(C)(C)C2=O)cc1F ZINC000181342179 402642409 /nfs/dbraw/zinc/64/24/09/402642409.db2.gz TZJNDUUKBRNDCX-LLVKDONJSA-N 1 0 307.369 2.115 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000181346106 402642505 /nfs/dbraw/zinc/64/25/05/402642505.db2.gz VTXSQAWVYVEJPY-HZSPNIEDSA-N 1 0 308.397 2.421 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)NCC(C)C)cc1F ZINC000181355953 402642855 /nfs/dbraw/zinc/64/28/55/402642855.db2.gz WKMYXOFUVAUQTP-LBPRGKRZSA-N 1 0 309.385 2.267 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NCC(C)C)cc1F ZINC000181355930 402642908 /nfs/dbraw/zinc/64/29/08/402642908.db2.gz WKMYXOFUVAUQTP-GFCCVEGCSA-N 1 0 309.385 2.267 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000249944861 402643743 /nfs/dbraw/zinc/64/37/43/402643743.db2.gz YGESPAHMCHODJY-DAXOMENPSA-N 1 0 306.454 2.298 10 0 DEAERO CCOC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000181418385 402644795 /nfs/dbraw/zinc/64/47/95/402644795.db2.gz IDSRXWMBYKTSTK-LLVKDONJSA-N 1 0 312.797 2.012 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000181873831 402659446 /nfs/dbraw/zinc/65/94/46/402659446.db2.gz APAJOGMQEUQRFR-UONOGXRCSA-N 1 0 311.470 2.458 10 0 DEAERO CC(C)c1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc(=O)[nH]1 ZINC000181514390 402647704 /nfs/dbraw/zinc/64/77/04/402647704.db2.gz XAFKJVRNWBLNMQ-CQSZACIVSA-N 1 0 314.389 2.412 10 0 DEAERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1noc2c1CCCC2 ZINC000191200671 402650549 /nfs/dbraw/zinc/65/05/49/402650549.db2.gz XNEBXMZHJSINBW-WQGACYEGSA-N 1 0 304.390 2.327 10 0 DEAERO C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC[N@@H+](C2CC2)CC1 ZINC000172345999 402651249 /nfs/dbraw/zinc/65/12/49/402651249.db2.gz SQHFQBMYKMIEMO-GFCCVEGCSA-N 1 0 323.387 2.462 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)Cc1ccc(C)cc1F ZINC000192013969 402705105 /nfs/dbraw/zinc/70/51/05/402705105.db2.gz JDCOMDKDNMPEDI-CYBMUJFWSA-N 1 0 316.442 2.284 10 0 DEAERO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1nccn1C ZINC000182639505 402705347 /nfs/dbraw/zinc/70/53/47/402705347.db2.gz XUNOKVUROIYNII-AWEZNQCLSA-N 1 0 312.417 2.376 10 0 DEAERO COc1ccc(CNC(=O)C[N@@H+]2CCS[C@H](C)CC2)cc1 ZINC000192188632 402716235 /nfs/dbraw/zinc/71/62/35/402716235.db2.gz CSJYDBZFSGOHOX-CYBMUJFWSA-N 1 0 308.447 2.139 10 0 DEAERO Cc1nnc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)n1C1CC1 ZINC000173874584 402716567 /nfs/dbraw/zinc/71/65/67/402716567.db2.gz MMNYDCGTNZZEFX-HNNXBMFYSA-N 1 0 303.454 2.229 10 0 DEAERO C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173903821 402718196 /nfs/dbraw/zinc/71/81/96/402718196.db2.gz JONUNPZVCDKNJE-IXDOHACOSA-N 1 0 321.465 2.237 10 0 DEAERO Cc1cccc(C)c1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000172524971 402660341 /nfs/dbraw/zinc/66/03/41/402660341.db2.gz MRJNNESRTYDGDC-KRWDZBQOSA-N 1 0 316.445 2.374 10 0 DEAERO C[C@@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)N1CCOCC1 ZINC000181929834 402660902 /nfs/dbraw/zinc/66/09/02/402660902.db2.gz HHRSXRMVUMYOTK-BBRMVZONSA-N 1 0 308.397 2.350 10 0 DEAERO CO[C@@H]1CC[C@H]2OCCN(Cc3cccc4c3OCCO4)[C@H]2C1 ZINC000252801864 402661054 /nfs/dbraw/zinc/66/10/54/402661054.db2.gz MRXLFWZBKJRFPS-OWCLPIDISA-N 1 0 319.401 2.226 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc3ccccc32)[C@H](C)C1 ZINC000253203577 402661856 /nfs/dbraw/zinc/66/18/56/402661856.db2.gz HGOCHWOCDJWWQI-CABCVRRESA-N 1 0 312.413 2.367 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)C1 ZINC000253359528 402662898 /nfs/dbraw/zinc/66/28/98/402662898.db2.gz XPFYLDRFHHVWDF-RYUDHWBXSA-N 1 0 312.360 2.333 10 0 DEAERO C[C@H]1CN(C2CC[NH+](CCC(=O)c3ccccc3)CC2)CCO1 ZINC000182073128 402666023 /nfs/dbraw/zinc/66/60/23/402666023.db2.gz FLYXBBVIHWOLRS-INIZCTEOSA-N 1 0 316.445 2.445 10 0 DEAERO O=C(c1ccc2ccccc2c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172748733 402672703 /nfs/dbraw/zinc/67/27/03/402672703.db2.gz BWFKXTWBLZETDE-SFHVURJKSA-N 1 0 310.397 2.387 10 0 DEAERO O=C(c1c(F)cccc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000172747735 402672775 /nfs/dbraw/zinc/67/27/75/402672775.db2.gz NURDSOFCVFQSCC-LLVKDONJSA-N 1 0 312.772 2.026 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802665 402676521 /nfs/dbraw/zinc/67/65/21/402676521.db2.gz YIIFRSICZGORAW-BRWVUGGUSA-N 1 0 307.482 2.336 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000172912999 402679507 /nfs/dbraw/zinc/67/95/07/402679507.db2.gz VTVIDAIGXSUUTP-GFCCVEGCSA-N 1 0 316.430 2.277 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2ccc(OC)c(OC)c2)C1 ZINC000255129804 402679929 /nfs/dbraw/zinc/67/99/29/402679929.db2.gz IOOCDQOVUZDFOV-WKTRQSJXSA-N 1 0 318.417 2.318 10 0 DEAERO C[C@H]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@H]1C ZINC000172998617 402682499 /nfs/dbraw/zinc/68/24/99/402682499.db2.gz PDRJAKQIZJALTB-GJZGRUSLSA-N 1 0 316.449 2.094 10 0 DEAERO Cc1cc(N2CC[C@@H]([N@H+](C)CC3CCCCC3)C2=O)n(C)n1 ZINC000173183486 402687603 /nfs/dbraw/zinc/68/76/03/402687603.db2.gz WCZOUUZFGZCSFU-OAHLLOKOSA-N 1 0 304.438 2.346 10 0 DEAERO CCCc1cc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)n[nH]1 ZINC000173267694 402690033 /nfs/dbraw/zinc/69/00/33/402690033.db2.gz UHZLFBOIBFFKOO-OAHLLOKOSA-N 1 0 308.426 2.094 10 0 DEAERO CC[C@@H]1CN(CCCc2ccccc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000182441072 402690222 /nfs/dbraw/zinc/69/02/22/402690222.db2.gz RJNVQVSKRYUOEF-SJLPKXTDSA-N 1 0 320.477 2.405 10 0 DEAERO Cc1nc(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cs1 ZINC000191773063 402691220 /nfs/dbraw/zinc/69/12/20/402691220.db2.gz MNDINLLDEOSOLR-HNNXBMFYSA-N 1 0 319.405 2.481 10 0 DEAERO CCc1cnc(CCNC(=O)NC2CC[NH+](C(C)C)CC2)s1 ZINC000173376980 402695144 /nfs/dbraw/zinc/69/51/44/402695144.db2.gz VUZJFRPCGFBFES-UHFFFAOYSA-N 1 0 324.494 2.420 10 0 DEAERO CCC(CC)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173421398 402696598 /nfs/dbraw/zinc/69/65/98/402696598.db2.gz LYYKORQLJHBGDR-CYBMUJFWSA-N 1 0 305.426 2.040 10 0 DEAERO O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2cocn2)C1 ZINC000191938163 402699507 /nfs/dbraw/zinc/69/95/07/402699507.db2.gz YLHXOIRQDURABS-CYBMUJFWSA-N 1 0 304.325 2.210 10 0 DEAERO CCSCC[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191977277 402702052 /nfs/dbraw/zinc/70/20/52/402702052.db2.gz GIZSABGHOFGTFY-UHFFFAOYSA-N 1 0 316.511 2.477 10 0 DEAERO CCCCc1nc(CN2CC[NH+]([C@H](CC)CO)CC2)cs1 ZINC000174129827 402728142 /nfs/dbraw/zinc/72/81/42/402728142.db2.gz KXRSJKINGHIIPK-OAHLLOKOSA-N 1 0 311.495 2.374 10 0 DEAERO C[C@@H](c1ccco1)N(C)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262765719 402730421 /nfs/dbraw/zinc/73/04/21/402730421.db2.gz LVVCOAKNIDXKRF-QWHCGFSZSA-N 1 0 302.378 2.234 10 0 DEAERO C[NH2+]CC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000262762187 402730586 /nfs/dbraw/zinc/73/05/86/402730586.db2.gz JPMJOHRPPWUDTH-HNNXBMFYSA-N 1 0 303.793 2.354 10 0 DEAERO CC[C@H](C)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000262775016 402731011 /nfs/dbraw/zinc/73/10/11/402731011.db2.gz NFBYQTWTXFCZMV-XEZPLFJOSA-N 1 0 310.463 2.476 10 0 DEAERO CC(C)c1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nn1C(C)(C)C ZINC000192495600 402732468 /nfs/dbraw/zinc/73/24/68/402732468.db2.gz ACQYXUKXLYJWJV-OKILXGFUSA-N 1 0 318.465 2.395 10 0 DEAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)on1 ZINC000192504323 402733275 /nfs/dbraw/zinc/73/32/75/402733275.db2.gz IKSNUVCHZGIQSN-LLVKDONJSA-N 1 0 317.345 2.044 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000262865056 402735365 /nfs/dbraw/zinc/73/53/65/402735365.db2.gz UMHALQADVGKZFG-YGRLFVJLSA-N 1 0 306.793 2.230 10 0 DEAERO C[C@H]([NH3+])CCC(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000262841821 402735479 /nfs/dbraw/zinc/73/54/79/402735479.db2.gz RIRHAPJAADSTFF-IINYFYTJSA-N 1 0 302.378 2.480 10 0 DEAERO CCn1cnnc1[C@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000192563318 402736900 /nfs/dbraw/zinc/73/69/00/402736900.db2.gz JXNNSXYGHBFYAG-STQMWFEESA-N 1 0 316.409 2.043 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000183094072 402738176 /nfs/dbraw/zinc/73/81/76/402738176.db2.gz GDOQQRRRTYCPKU-BFQNTYOBSA-N 1 0 304.390 2.373 10 0 DEAERO O=C(c1cccs1)N1CCC[N@H+](CCCn2ccnc2)CC1 ZINC000183177909 402745222 /nfs/dbraw/zinc/74/52/22/402745222.db2.gz SZMXNNUFIKMJBJ-UHFFFAOYSA-N 1 0 318.446 2.183 10 0 DEAERO C[C@H](Cc1nc([C@H]2C[NH2+]CCN2C)no1)c1cccc(F)c1 ZINC000263174519 402746544 /nfs/dbraw/zinc/74/65/44/402746544.db2.gz GBQZGMCXKSRGAW-BXUZGUMPSA-N 1 0 304.369 2.131 10 0 DEAERO C[C@@H]1CC[C@H](C)N(C(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000183221144 402748324 /nfs/dbraw/zinc/74/83/24/402748324.db2.gz VFRYCNVPKXUIQV-KGLIPLIRSA-N 1 0 305.422 2.283 10 0 DEAERO CC[C@@H]1CN(C(=O)c2cc(F)ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174621903 402749128 /nfs/dbraw/zinc/74/91/28/402749128.db2.gz VSHWSLQHEIAHLU-UKRRQHHQSA-N 1 0 308.397 2.051 10 0 DEAERO COc1ccc(-c2csc(CNC(=O)C3C[NH2+]C3)c2)cc1 ZINC000263243371 402749460 /nfs/dbraw/zinc/74/94/60/402749460.db2.gz CQGWCRTUTZBNDS-UHFFFAOYSA-N 1 0 302.399 2.259 10 0 DEAERO CC[C@H]1CN(C(=O)c2cccc(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174632947 402749540 /nfs/dbraw/zinc/74/95/40/402749540.db2.gz QEOKVFHCTJXVPC-DOMZBBRYSA-N 1 0 310.825 2.257 10 0 DEAERO O=C(NCc1c(F)cccc1OC(F)F)[C@H]1CC(F)(F)CN1 ZINC000263247470 402750057 /nfs/dbraw/zinc/75/00/57/402750057.db2.gz PLMFSQFENSERES-SECBINFHSA-N 1 0 324.249 2.041 10 0 DEAERO Cc1ccc(-c2cc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)n[nH]2)cc1 ZINC000263269747 402752890 /nfs/dbraw/zinc/75/28/90/402752890.db2.gz SBXGIPWBFIFBQZ-HNNXBMFYSA-N 1 0 324.388 2.011 10 0 DEAERO CC(C)COc1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263306175 402756706 /nfs/dbraw/zinc/75/67/06/402756706.db2.gz XYNOFKAVNWWHEH-HNNXBMFYSA-N 1 0 316.405 2.348 10 0 DEAERO CC(C)[C@H](CNC(=O)NCCC1CCCC1)[NH+]1CCN(C)CC1 ZINC000193139677 402766502 /nfs/dbraw/zinc/76/65/02/402766502.db2.gz FRAKCVCYWPFWGV-KRWDZBQOSA-N 1 0 324.513 2.138 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc(OC)c1 ZINC000175021960 402771936 /nfs/dbraw/zinc/77/19/36/402771936.db2.gz LBQHWEJUUXEISL-HZPDHXFCSA-N 1 0 302.418 2.323 10 0 DEAERO C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccc2c(c1)OCO2 ZINC000183511112 402772869 /nfs/dbraw/zinc/77/28/69/402772869.db2.gz IFNATHYQWAALFX-LLVKDONJSA-N 1 0 313.357 2.367 10 0 DEAERO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000183624147 402782650 /nfs/dbraw/zinc/78/26/50/402782650.db2.gz NTFODRWELKQTHD-LZWOXQAQSA-N 1 0 321.417 2.440 10 0 DEAERO CN(C(=O)c1ccc2c(c1O)CCCC2)[C@H]1CCC[N@H+](C)C1 ZINC000182862769 402722778 /nfs/dbraw/zinc/72/27/78/402722778.db2.gz RQXOWLCQBSTWHM-AWEZNQCLSA-N 1 0 302.418 2.437 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)c2nc(C)cs2)C1 ZINC000183688454 402789026 /nfs/dbraw/zinc/78/90/26/402789026.db2.gz OPJBIQFZHYDFQX-YPMHNXCESA-N 1 0 310.467 2.339 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C(=O)OC)ccc2F)C1 ZINC000194340977 402793091 /nfs/dbraw/zinc/79/30/91/402793091.db2.gz CMNXTSYDQFQRLZ-LBPRGKRZSA-N 1 0 323.368 2.218 10 0 DEAERO COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000183738098 402793268 /nfs/dbraw/zinc/79/32/68/402793268.db2.gz QBZFVOPQRCUOIG-CQSZACIVSA-N 1 0 317.389 2.094 10 0 DEAERO Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)c(C)o1 ZINC000183783938 402797604 /nfs/dbraw/zinc/79/76/04/402797604.db2.gz DLPQJSRSAMLZSK-VXGBXAGGSA-N 1 0 309.410 2.417 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000175370063 402800575 /nfs/dbraw/zinc/80/05/75/402800575.db2.gz RCSRJDHIHABVIL-DLBZAZTESA-N 1 0 322.497 2.131 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000175393277 402802525 /nfs/dbraw/zinc/80/25/25/402802525.db2.gz NKOFYECZOBSOGY-CYBMUJFWSA-N 1 0 314.426 2.239 10 0 DEAERO CC(C)NC(=O)CC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175410944 402804193 /nfs/dbraw/zinc/80/41/93/402804193.db2.gz WOQZPMLYUNKHTM-ZSEKCTLFSA-N 1 0 310.463 2.332 10 0 DEAERO C[C@@H]1CCC[C@H](C)CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000175521316 402814310 /nfs/dbraw/zinc/81/43/10/402814310.db2.gz PJRQJHFLRMSDEW-JKSUJKDBSA-N 1 0 311.470 2.319 10 0 DEAERO CC(C)COC[C@@H](O)CN(C)Cc1nc2c(s1)CCCC2 ZINC000175542947 402816264 /nfs/dbraw/zinc/81/62/64/402816264.db2.gz QUCWGXCSCOZTIS-ZDUSSCGKSA-N 1 0 312.479 2.487 10 0 DEAERO C[C@H](CNc1ncnc2cc(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000263911467 402819318 /nfs/dbraw/zinc/81/93/18/402819318.db2.gz JYXMHPIHCKVWLK-GFCCVEGCSA-N 1 0 319.840 2.331 10 0 DEAERO CCCCN1CCOC[C@@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000184251723 402830712 /nfs/dbraw/zinc/83/07/12/402830712.db2.gz PBGAHFBFPXEMCY-QGZVFWFLSA-N 1 0 319.449 2.188 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000175787758 402832998 /nfs/dbraw/zinc/83/29/98/402832998.db2.gz PJLAWZLDQUJMTB-WHEQGISXSA-N 1 0 323.462 2.420 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCc2cc(OC)ccc21 ZINC000195137217 402833406 /nfs/dbraw/zinc/83/34/06/402833406.db2.gz HSHPZWKTBZNOFK-ZDUSSCGKSA-N 1 0 305.422 2.498 10 0 DEAERO COc1ccc2c(c1)CCN2C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000195142917 402833517 /nfs/dbraw/zinc/83/35/17/402833517.db2.gz UKVGRBXFKBNVEK-CYBMUJFWSA-N 1 0 315.417 2.252 10 0 DEAERO Cc1oc(-c2ccco2)nc1CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195190463 402835967 /nfs/dbraw/zinc/83/59/67/402835967.db2.gz MLAMCUQZSYGBHH-ZDUSSCGKSA-N 1 0 315.373 2.092 10 0 DEAERO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1nncs1 ZINC000184349320 402837252 /nfs/dbraw/zinc/83/72/52/402837252.db2.gz BARXIRYZXUFGHN-CQSZACIVSA-N 1 0 316.430 2.413 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ncncc2Cl)C1 ZINC000175147517 402783559 /nfs/dbraw/zinc/78/35/59/402783559.db2.gz ZEQKDVNHVKFHBV-VXGBXAGGSA-N 1 0 310.829 2.228 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000175202833 402787475 /nfs/dbraw/zinc/78/74/75/402787475.db2.gz YFIZHTVPGOXAKW-GJZGRUSLSA-N 1 0 306.454 2.338 10 0 DEAERO CCCN(CCC)C(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502847 402847534 /nfs/dbraw/zinc/84/75/34/402847534.db2.gz GVZUUWLXROSLSR-UHFFFAOYSA-N 1 0 306.454 2.248 10 0 DEAERO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)C1 ZINC000195515808 402849036 /nfs/dbraw/zinc/84/90/36/402849036.db2.gz LMTWNEASGQDDEO-JKSUJKDBSA-N 1 0 316.449 2.074 10 0 DEAERO O=C(Nc1ccn(-c2ccccc2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000264735141 402892219 /nfs/dbraw/zinc/89/22/19/402892219.db2.gz OJORRAVUFAALPG-OAHLLOKOSA-N 1 0 311.389 2.184 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN2CCOCC2)C12CCCC2 ZINC000245955738 286284255 /nfs/dbraw/zinc/28/42/55/286284255.db2.gz XFZALGYTIBAMEF-GVDBMIGSSA-N 1 0 310.482 2.282 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ncnc2nc[nH]c21 ZINC000274224108 403036534 /nfs/dbraw/zinc/03/65/34/403036534.db2.gz ZJLGIKFAUYYRLE-TZMCWYRMSA-N 1 0 308.389 2.285 10 0 DEAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cccc3nccn32)cn1 ZINC000275648411 403112199 /nfs/dbraw/zinc/11/21/99/403112199.db2.gz UEMZLXOGDNEPFB-DOTOQJQBSA-N 1 0 311.389 2.078 10 0 DEAERO Cn1ccnc(N2CCC[C@@H]([NH2+]C/C=C/c3ccccc3)C2)c1=O ZINC000275728623 403119198 /nfs/dbraw/zinc/11/91/98/403119198.db2.gz ZPLZLTIRSLDLOI-HFTQHKIXSA-N 1 0 324.428 2.052 10 0 DEAERO O=C([C@@H]1CSCCS1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107531313 304377036 /nfs/dbraw/zinc/37/70/36/304377036.db2.gz FBMPDXFDVQMOBE-KGLIPLIRSA-N 1 0 314.520 2.312 10 0 DEAERO COc1ccc(F)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1OC ZINC000188451343 286318353 /nfs/dbraw/zinc/31/83/53/286318353.db2.gz GYSDIVRZPHAUIU-NWDGAFQWSA-N 1 0 322.380 2.152 10 0 DEAERO c1ccc2c(c1)ncnc2N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000283541387 403204884 /nfs/dbraw/zinc/20/48/84/403204884.db2.gz OKLYYFWAGBNSKQ-HNNXBMFYSA-N 1 0 312.417 2.178 10 0 DEAERO CC(=O)CC[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000270932217 403241732 /nfs/dbraw/zinc/24/17/32/403241732.db2.gz HIPRUXDKSJGJLS-CYBMUJFWSA-N 1 0 300.196 2.393 10 0 DEAERO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000271179215 403274249 /nfs/dbraw/zinc/27/42/49/403274249.db2.gz LKQVYULHEWPTTQ-HFQYIWAZSA-N 1 0 308.447 2.090 10 0 DEAERO [NH3+]CC[C@@H]1CCCCN1C(=O)c1coc(Br)c1 ZINC000286110355 403452034 /nfs/dbraw/zinc/45/20/34/403452034.db2.gz OAHJZOOHEJKHFQ-JTQLQIEISA-N 1 0 301.184 2.386 10 0 DEAERO CC(=O)CSCC(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000345947964 403544892 /nfs/dbraw/zinc/54/48/92/403544892.db2.gz GMAIVWMFKBFKLI-UHFFFAOYSA-N 1 0 314.495 2.422 10 0 DEAERO CC(=O)CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)[C@H]2C)cc1 ZINC000293532191 403497647 /nfs/dbraw/zinc/49/76/47/403497647.db2.gz XEIWVAPEKSOPSX-YSVLISHTSA-N 1 0 305.418 2.288 10 0 DEAERO Fc1ccc2ncnc(NC[C@@H]3CN(C4CC4)CCO3)c2c1 ZINC000301205792 403600722 /nfs/dbraw/zinc/60/07/22/403600722.db2.gz OYCGSMRQIRFGCZ-CYBMUJFWSA-N 1 0 302.353 2.044 10 0 DEAERO CCn1cc([C@@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC000333040053 403652172 /nfs/dbraw/zinc/65/21/72/403652172.db2.gz AHEKATNCNNRABI-OHRKKDJYSA-N 1 0 319.453 2.279 10 0 DEAERO Cc1cc(NC[C@@H]2CN3CCN2CC3)c2cc(F)ccc2[nH+]1 ZINC000301762528 403675366 /nfs/dbraw/zinc/67/53/66/403675366.db2.gz GOKZEUXMCRONKX-CQSZACIVSA-N 1 0 300.381 2.094 10 0 DEAERO c1ccc([C@@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@@H]2CCOC2)cc1 ZINC000343582442 403649510 /nfs/dbraw/zinc/64/95/10/403649510.db2.gz PIEAJWPZBNMVRX-AKHDSKFASA-N 1 0 316.445 2.217 10 0 DEAERO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000301591439 403651220 /nfs/dbraw/zinc/65/12/20/403651220.db2.gz YEGICFUWJDFLPC-GJZGRUSLSA-N 1 0 312.417 2.055 10 0 DEAERO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000303080316 403746711 /nfs/dbraw/zinc/74/67/11/403746711.db2.gz MKNIMTXDOGQCET-NZSAHSFTSA-N 1 0 318.461 2.123 10 0 DEAERO C[C@H](NC(=O)N1CCO[C@H](C2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000333474528 403760477 /nfs/dbraw/zinc/76/04/77/403760477.db2.gz BGOSEOJXRGEYIZ-XIRDDKMYSA-N 1 0 323.481 2.365 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000333650530 403804097 /nfs/dbraw/zinc/80/40/97/403804097.db2.gz JSLDRCDWCUWYCY-OIISXLGYSA-N 1 0 316.449 2.271 10 0 DEAERO C[C@H]1CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)[C@@H](C)[C@H]1[NH3+] ZINC000333711938 403828341 /nfs/dbraw/zinc/82/83/41/403828341.db2.gz GNPRMWNNHJAZQG-CLROSIBMSA-N 1 0 302.418 2.388 10 0 DEAERO CC1(C)C[C@H](O)CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000295193140 403791999 /nfs/dbraw/zinc/79/19/99/403791999.db2.gz ASVIUYQPGXOXON-SJORKVTESA-N 1 0 307.434 2.047 10 0 DEAERO CC(=O)N1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000361833943 403895894 /nfs/dbraw/zinc/89/58/94/403895894.db2.gz QFBCHQOBAZQPOX-HNNXBMFYSA-N 1 0 312.417 2.233 10 0 DEAERO CC1(CNC(=O)N2CCO[C@@H](C3CCCCC3)C2)CC[NH2+]CC1 ZINC000333798522 403864391 /nfs/dbraw/zinc/86/43/91/403864391.db2.gz HJIXCSWFHQPPMO-MRXNPFEDSA-N 1 0 323.481 2.367 10 0 DEAERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333825949 403876460 /nfs/dbraw/zinc/87/64/60/403876460.db2.gz LODLTOCLTYCFQQ-XAJHFOFHSA-N 1 0 323.481 2.100 10 0 DEAERO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333857246 403888189 /nfs/dbraw/zinc/88/81/89/403888189.db2.gz RFVQMUXQXMCNSC-SWLSCSKDSA-N 1 0 301.390 2.046 10 0 DEAERO C[N@H+](CCOc1c(Cl)cccc1Cl)CC(C)(CO)CO ZINC000305254046 403894005 /nfs/dbraw/zinc/89/40/05/403894005.db2.gz MSQVIBCOOJOZHF-UHFFFAOYSA-N 1 0 322.232 2.295 10 0 DEAERO Cc1nc(N)nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000310481752 403965877 /nfs/dbraw/zinc/96/58/77/403965877.db2.gz DZKBTPRDVUZVOY-OWCLPIDISA-N 1 0 324.432 2.085 10 0 DEAERO Nc1cccnc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310101070 403965897 /nfs/dbraw/zinc/96/58/97/403965897.db2.gz XUDZJMJHJSKQCF-MRXNPFEDSA-N 1 0 324.428 2.306 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000305747916 403928012 /nfs/dbraw/zinc/92/80/12/403928012.db2.gz QCAZVOVYUPFOIQ-INIZCTEOSA-N 1 0 304.434 2.270 10 0 DEAERO CN(C(=O)c1ncccc1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000310525437 403967277 /nfs/dbraw/zinc/96/72/77/403967277.db2.gz OOSOZYWYQVQKNK-UHFFFAOYSA-N 1 0 324.428 2.400 10 0 DEAERO [NH3+]C[C@@H]1CN(CCOc2c(Cl)cccc2Cl)CCCO1 ZINC000313393196 403984656 /nfs/dbraw/zinc/98/46/56/403984656.db2.gz NZYBQDANIVIIKY-LLVKDONJSA-N 1 0 319.232 2.422 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCc2cn[nH]c2)C1 ZINC000289761293 403996818 /nfs/dbraw/zinc/99/68/18/403996818.db2.gz IGBYSDUHTSJXKP-CQSZACIVSA-N 1 0 308.426 2.189 10 0 DEAERO Cc1cc(=O)c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c[nH]1 ZINC000318850603 404047827 /nfs/dbraw/zinc/04/78/27/404047827.db2.gz JJTVUDCGMYGCJF-UHFFFAOYSA-N 1 0 303.406 2.044 10 0 DEAERO Cc1ccc(NC(=O)CN2C[C@@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000369536736 404130558 /nfs/dbraw/zinc/13/05/58/404130558.db2.gz KHYYYKFWHQQPPD-GOSISDBHSA-N 1 0 318.417 2.203 10 0 DEAERO c1cnn(CCCCC[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000369683301 404190946 /nfs/dbraw/zinc/19/09/46/404190946.db2.gz WDMVVOTWFVXGTJ-UHFFFAOYSA-N 1 0 315.421 2.387 10 0 DEAERO c1ccn2c(c1)nnc2C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000363863644 404231058 /nfs/dbraw/zinc/23/10/58/404231058.db2.gz VJMZMBVATDPOOG-UHFFFAOYSA-N 1 0 313.449 2.395 10 0 DEAERO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)C1 ZINC000329185762 404258561 /nfs/dbraw/zinc/25/85/61/404258561.db2.gz POUPHKKALOMDNV-JLJPHGGASA-N 1 0 304.438 2.400 10 0 DEAERO c1nn2ccccc2c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000369963408 404285254 /nfs/dbraw/zinc/28/52/54/404285254.db2.gz FIUSUSLTAACUCU-OAHLLOKOSA-N 1 0 315.417 2.352 10 0 DEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)CC2 ZINC000329456261 404342813 /nfs/dbraw/zinc/34/28/13/404342813.db2.gz MWQCDLLUUHTOAQ-CLWVCHIJSA-N 1 0 316.449 2.264 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000364550876 404444107 /nfs/dbraw/zinc/44/41/07/404444107.db2.gz IJIKYEYOBFLYFV-KBPBESRZSA-N 1 0 318.465 2.191 10 0 DEAERO CC(=O)c1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)nc1 ZINC000297122269 404460955 /nfs/dbraw/zinc/46/09/55/404460955.db2.gz IGIQFMVHQVLQAS-BXUZGUMPSA-N 1 0 304.394 2.231 10 0 DEAERO CCO[C@H]1C[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1(C)C ZINC000183582846 286466900 /nfs/dbraw/zinc/46/69/00/286466900.db2.gz YFEJQFAXSFJLST-CABCVRRESA-N 1 0 305.422 2.423 10 0 DEAERO O=C1[C@@H]([NH2+]Cc2ccc3occc3c2)CCN1C1CCOCC1 ZINC000375742964 404738008 /nfs/dbraw/zinc/73/80/08/404738008.db2.gz JOHCOOKJWNKZTQ-INIZCTEOSA-N 1 0 314.385 2.302 10 0 DEAERO COc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1Br ZINC000375767418 404741948 /nfs/dbraw/zinc/74/19/48/404741948.db2.gz DYOBUUCGDHHSGA-CNDDSTCGSA-N 1 0 312.207 2.440 10 0 DEAERO CC[C@@H](CN[C@@H](C(=O)OC)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000358810138 404776737 /nfs/dbraw/zinc/77/67/37/404776737.db2.gz JLAYXYJAGGEVQD-ZWKOTPCHSA-N 1 0 316.445 2.365 10 0 DEAERO OC[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1c[nH]c2nccnc12 ZINC000378140688 404875512 /nfs/dbraw/zinc/87/55/12/404875512.db2.gz ZYVRFBKIARQJOV-IBGZPJMESA-N 1 0 322.412 2.479 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](CCSc2ccccc2)CC12COC2 ZINC000451138210 404877372 /nfs/dbraw/zinc/87/73/72/404877372.db2.gz QFEBVIZCOGZTGD-HNNXBMFYSA-N 1 0 321.442 2.290 10 0 DEAERO CCCNC(=O)C1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435127672 404957992 /nfs/dbraw/zinc/95/79/92/404957992.db2.gz XUWRGBIHKMKMDM-UHFFFAOYSA-N 1 0 316.405 2.408 10 0 DEAERO C[C@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@@H]1[NH3+] ZINC000423952640 404944227 /nfs/dbraw/zinc/94/42/27/404944227.db2.gz MUOMCRRMHHRPNN-KWQFWETISA-N 1 0 303.189 2.178 10 0 DEAERO CC(C)(O)C1C[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000435901005 405024487 /nfs/dbraw/zinc/02/44/87/405024487.db2.gz DYRWWZRBRYAJQL-ZDUSSCGKSA-N 1 0 317.351 2.312 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2ncccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000379661924 405027882 /nfs/dbraw/zinc/02/78/82/405027882.db2.gz GTWMMXJMZUKTCP-GOEBONIOSA-N 1 0 324.428 2.447 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN1c1ccnc2cc(Br)cnc21 ZINC000385186330 405033927 /nfs/dbraw/zinc/03/39/27/405033927.db2.gz KWMUDMPCRPTDIO-WCBMZHEXSA-N 1 0 307.195 2.318 10 0 DEAERO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)COCc1ccccc1 ZINC000390223339 405044992 /nfs/dbraw/zinc/04/49/92/405044992.db2.gz ZZSIQANYONHWOS-NVXWUHKLSA-N 1 0 304.434 2.345 10 0 DEAERO O=C1[C@@H](N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN1C1CC1 ZINC000361400143 405055905 /nfs/dbraw/zinc/05/59/05/405055905.db2.gz MBDYYGXKWZHHAB-AEFFLSMTSA-N 1 0 319.493 2.338 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000408097807 405110985 /nfs/dbraw/zinc/11/09/85/405110985.db2.gz NVMTVGLBXWKDHL-AWEZNQCLSA-N 1 0 312.435 2.085 10 0 DEAERO COCC1(NC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)CCC1 ZINC000367646454 405112834 /nfs/dbraw/zinc/11/28/34/405112834.db2.gz VATOJEUOQZJERW-GFCCVEGCSA-N 1 0 305.422 2.323 10 0 DEAERO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361588002 405147556 /nfs/dbraw/zinc/14/75/56/405147556.db2.gz DBTDZFIUCVUKJI-MJGOQNOKSA-N 1 0 317.429 2.255 10 0 DEAERO CC(C)c1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c(O)c1 ZINC000408413805 405200834 /nfs/dbraw/zinc/20/08/34/405200834.db2.gz IOUYCTRWOXLMCE-DOTOQJQBSA-N 1 0 318.417 2.061 10 0 DEAERO COc1ccc(OC)c(C[NH2+][C@@H](C)C2(OC)CCOCC2)c1 ZINC000453072048 405281403 /nfs/dbraw/zinc/28/14/03/405281403.db2.gz NBKFXUIQOHLPKT-ZDUSSCGKSA-N 1 0 309.406 2.378 10 0 DEAERO Cc1cc([C@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cs1 ZINC000453149712 405287215 /nfs/dbraw/zinc/28/72/15/405287215.db2.gz LHZXTMGPABEEOE-WFASDCNBSA-N 1 0 308.447 2.487 10 0 DEAERO COc1ccc(NC(=O)C[NH2+]C2(CCO)CCCCC2)cc1 ZINC000440889861 405330201 /nfs/dbraw/zinc/33/02/01/405330201.db2.gz PSPQFPDWGJOQTH-UHFFFAOYSA-N 1 0 306.406 2.309 10 0 DEAERO Cc1ccccc1CNC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000440910784 405330974 /nfs/dbraw/zinc/33/09/74/405330974.db2.gz SDXZTQXNOZLFPC-UHFFFAOYSA-N 1 0 304.434 2.286 10 0 DEAERO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+](C)CCCO ZINC000440957367 405332694 /nfs/dbraw/zinc/33/26/94/405332694.db2.gz LRWMOSVOZKZBHR-INIZCTEOSA-N 1 0 309.450 2.346 10 0 DEAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(N(C)C)nc1 ZINC000454464678 405348954 /nfs/dbraw/zinc/34/89/54/405348954.db2.gz JQSWOOBFIUCBGV-CQSZACIVSA-N 1 0 305.426 2.096 10 0 DEAERO C[C@@H](CNC(=O)N1CCc2c(Cl)cc(F)cc2C1)[NH+](C)C ZINC000455443490 405410451 /nfs/dbraw/zinc/41/04/51/405410451.db2.gz HSGVFGOIBNTQJC-JTQLQIEISA-N 1 0 313.804 2.497 10 0 DEAERO c1ccc(C[N@@H+]2CCCO[C@@H](CN3CC[C@]34CCOC4)C2)cc1 ZINC000421016996 405430857 /nfs/dbraw/zinc/43/08/57/405430857.db2.gz JPVFPBBLGWESEE-RTBURBONSA-N 1 0 316.445 2.142 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@@H](c1ccccc1)C(F)F ZINC000455598683 405432227 /nfs/dbraw/zinc/43/22/27/405432227.db2.gz NWYHQNOAZFRUNX-AWEZNQCLSA-N 1 0 320.343 2.221 10 0 DEAERO CO[C@]1(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CCOC1 ZINC000638449388 405476844 /nfs/dbraw/zinc/47/68/44/405476844.db2.gz PBXDMFWYMBURNQ-OALUTQOASA-N 1 0 318.461 2.436 10 0 DEAERO CC(C)[C@@H]1CN(C(=O)CC[C@H](C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000638511857 405518373 /nfs/dbraw/zinc/51/83/73/405518373.db2.gz CCAVIWHVOOYSPG-WMZOPIPTSA-N 1 0 317.477 2.483 10 0 DEAERO CC(C)[C@H]1CN(C(=O)CC2([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000638513415 405519793 /nfs/dbraw/zinc/51/97/93/405519793.db2.gz KXXMFQXLKVYONL-QGZVFWFLSA-N 1 0 315.461 2.237 10 0 DEAERO [NH3+]C1(CNC(=O)Cc2c(Cl)cccc2Cl)CCOCC1 ZINC000638535351 405533230 /nfs/dbraw/zinc/53/32/30/405533230.db2.gz LTSQLFQSJRLYNR-UHFFFAOYSA-N 1 0 317.216 2.160 10 0 DEAERO c1ccc(-n2nnc(CN[C@@H]3CC[N@@H+](C4CC4)C3)c2C2CC2)cc1 ZINC000638563695 405547701 /nfs/dbraw/zinc/54/77/01/405547701.db2.gz BDCHHLOHEBMGLM-OAHLLOKOSA-N 1 0 323.444 2.471 10 0 DEAERO c1cnn(C2CC([NH2+]CCc3csc(N4CCCC4)n3)C2)c1 ZINC000638673033 405611176 /nfs/dbraw/zinc/61/11/76/405611176.db2.gz NIJJRPDIYLXDKP-UHFFFAOYSA-N 1 0 317.462 2.476 10 0 DEAERO O[C@@]1(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CCN(Cc2ccccc2)C1 ZINC000638679231 405613837 /nfs/dbraw/zinc/61/38/37/405613837.db2.gz SAVWTPFQKDMFDV-FCGDIQPGSA-N 1 0 300.446 2.259 10 0 DEAERO CCc1noc(C)c1CNC(=O)N(CC[NH+](C)C)CC(C)C ZINC000458835938 405619450 /nfs/dbraw/zinc/61/94/50/405619450.db2.gz FHNAKOXYDPILAS-UHFFFAOYSA-N 1 0 310.442 2.275 10 0 DEAERO COc1nsc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1Br ZINC000638692269 405620020 /nfs/dbraw/zinc/62/00/20/405620020.db2.gz FVJKMZQFXNCYAU-JGVFFNPUSA-N 1 0 321.240 2.429 10 0 DEAERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000458777622 405586133 /nfs/dbraw/zinc/58/61/33/405586133.db2.gz AONMZHGSFPQRIN-OAHLLOKOSA-N 1 0 315.421 2.187 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000494448724 405698706 /nfs/dbraw/zinc/69/87/06/405698706.db2.gz BPHOCNKIIBNCBA-UHFFFAOYSA-N 1 0 322.424 2.328 10 0 DEAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000457123596 405712995 /nfs/dbraw/zinc/71/29/95/405712995.db2.gz PIGXVJPAFAPYCV-KRWDZBQOSA-N 1 0 314.429 2.299 10 0 DEAERO C[C@H]1CN(C(=O)c2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000638885029 405739464 /nfs/dbraw/zinc/73/94/64/405739464.db2.gz AKWAXEPWGCDRJC-WCBMZHEXSA-N 1 0 315.186 2.255 10 0 DEAERO C[C@H]1CN(C(=O)CSc2ccc(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000638884655 405739473 /nfs/dbraw/zinc/73/94/73/405739473.db2.gz DLIYJCMSZSPMRN-UWVGGRQHSA-N 1 0 300.374 2.110 10 0 DEAERO C[C@@H]1CN(C(=O)CSc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000638884654 405740072 /nfs/dbraw/zinc/74/00/72/405740072.db2.gz DLIYJCMSZSPMRN-NXEZZACHSA-N 1 0 300.374 2.110 10 0 DEAERO Cc1ccc(Br)c(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638898597 405748712 /nfs/dbraw/zinc/74/87/12/405748712.db2.gz BCYRTVZVTKRXAI-QWRGUYRKSA-N 1 0 311.223 2.424 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638899881 405748910 /nfs/dbraw/zinc/74/89/10/405748910.db2.gz FNGBNWOSDBBHRS-CBAPKCEASA-N 1 0 301.184 2.017 10 0 DEAERO C[C@@H]([NH2+]CCN1CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495069924 405811312 /nfs/dbraw/zinc/81/13/12/405811312.db2.gz WJWPUKGAXFBKOA-HUUCEWRRSA-N 1 0 311.470 2.317 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000495135830 405822854 /nfs/dbraw/zinc/82/28/54/405822854.db2.gz BSOYWKLNAMEAFK-SQWLQELKSA-N 1 0 312.479 2.032 10 0 DEAERO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2nccn2C)cc1 ZINC000583615604 405774867 /nfs/dbraw/zinc/77/48/67/405774867.db2.gz OAWZJPXGRWBZTQ-WMZOPIPTSA-N 1 0 315.417 2.301 10 0 DEAERO COc1nsc(C[NH2+][C@H]2CCOC[C@@H]2C)c1Br ZINC000639121202 405898729 /nfs/dbraw/zinc/89/87/29/405898729.db2.gz NFSPATDFIZBBLV-YUMQZZPRSA-N 1 0 321.240 2.429 10 0 DEAERO CCn1nncc1CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459372913 405876717 /nfs/dbraw/zinc/87/67/17/405876717.db2.gz ZYQJFJNKJDWHJP-QGZVFWFLSA-N 1 0 313.449 2.394 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000457524633 405881647 /nfs/dbraw/zinc/88/16/47/405881647.db2.gz IRBFUQSGDLTZAV-UHFFFAOYSA-N 1 0 318.417 2.195 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457557871 405896255 /nfs/dbraw/zinc/89/62/55/405896255.db2.gz NVSPKMSFBDOMOO-INIZCTEOSA-N 1 0 318.417 2.386 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000457448059 405844612 /nfs/dbraw/zinc/84/46/12/405844612.db2.gz HDDDRFIFSFDUNT-UHFFFAOYSA-N 1 0 318.417 2.243 10 0 DEAERO c1ccc(N2CC[C@@H](C[N@@H+]3CCO[C@@]4(CCOC4)C3)C2)cc1 ZINC000639052056 405847589 /nfs/dbraw/zinc/84/75/89/405847589.db2.gz HTWMELBXTQPPOY-WMZOPIPTSA-N 1 0 302.418 2.004 10 0 DEAERO c1c(CN2CC[NH+](C3CCCCC3)CC2)nnn1CC1CC1 ZINC000450501269 405932293 /nfs/dbraw/zinc/93/22/93/405932293.db2.gz MWNNLKLYQUDEKR-UHFFFAOYSA-N 1 0 303.454 2.138 10 0 DEAERO CCn1nncc1C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000459521463 405940422 /nfs/dbraw/zinc/94/04/22/405940422.db2.gz TZMAUZFEZAQPLS-AWEZNQCLSA-N 1 0 306.435 2.353 10 0 DEAERO CC[N@H+](CCNC(=O)c1cc(C)cc(C(=O)OC)c1)C(C)C ZINC000457570442 405900801 /nfs/dbraw/zinc/90/08/01/405900801.db2.gz GUWHMVBYWHQORB-UHFFFAOYSA-N 1 0 306.406 2.242 10 0 DEAERO Cc1noc(C)c1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561189456 405901386 /nfs/dbraw/zinc/90/13/86/405901386.db2.gz CLGORHBCCBVWNH-INIZCTEOSA-N 1 0 313.401 2.430 10 0 DEAERO c1nc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)cc2c1OCCO2 ZINC000639301001 406031213 /nfs/dbraw/zinc/03/12/13/406031213.db2.gz AOSKGLBCEAFWIB-AWEZNQCLSA-N 1 0 304.390 2.434 10 0 DEAERO CC[C@H](C)[C@@H]1CN(CCC[C@@H](C)O)CC[N@@H+]1CCC[C@@H](C)O ZINC000450611359 405975861 /nfs/dbraw/zinc/97/58/61/405975861.db2.gz IINDKMDXXQOTJV-MLHJIOFPSA-N 1 0 314.514 2.341 10 0 DEAERO COCCC1(C)C[NH+](Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC000459628199 405988505 /nfs/dbraw/zinc/98/85/05/405988505.db2.gz DLOXPSLKHQNSQI-UHFFFAOYSA-N 1 0 300.406 2.434 10 0 DEAERO c1c(C[N@@H+]2CCSC3(CCC3)CC2)nnn1C[C@@H]1CCOC1 ZINC000639262127 406008276 /nfs/dbraw/zinc/00/82/76/406008276.db2.gz VPTDQXFIROKRJA-AWEZNQCLSA-N 1 0 322.478 2.176 10 0 DEAERO c1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c2c(c1)COCC2 ZINC000639434882 406086874 /nfs/dbraw/zinc/08/68/74/406086874.db2.gz RDMJCPJUSBADOY-SFHVURJKSA-N 1 0 316.445 2.056 10 0 DEAERO COc1cc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)on1 ZINC000639325380 406045411 /nfs/dbraw/zinc/04/54/11/406045411.db2.gz WVEVVQGJWQIBBG-BBRMVZONSA-N 1 0 301.390 2.293 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2CC)CC12COC2 ZINC000451127687 406058862 /nfs/dbraw/zinc/05/88/62/406058862.db2.gz AODUIFSUMXGPJS-MRXNPFEDSA-N 1 0 303.402 2.261 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCOC[C@H]1CCCO1)CC2 ZINC000533766664 406161342 /nfs/dbraw/zinc/16/13/42/406161342.db2.gz MUGJCRBSHYGZHX-LJQANCHMSA-N 1 0 317.429 2.485 10 0 DEAERO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cccs2)c2ccccc21 ZINC000634533281 406162040 /nfs/dbraw/zinc/16/20/40/406162040.db2.gz QDXNHSBPRQYVCB-LLVKDONJSA-N 1 0 308.428 2.389 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000533816345 406163498 /nfs/dbraw/zinc/16/34/98/406163498.db2.gz SHBBHUYRWBLJMR-SQWLQELKSA-N 1 0 302.422 2.183 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@@](C)(OC)C2)CC1 ZINC000471975659 406134709 /nfs/dbraw/zinc/13/47/09/406134709.db2.gz BRQHLNZHZFBHLX-QGZVFWFLSA-N 1 0 311.470 2.319 10 0 DEAERO c1csc([C@@H]2CSCCN2C[C@@H]2CCc3ncnn32)n1 ZINC000639590557 406159498 /nfs/dbraw/zinc/15/94/98/406159498.db2.gz XRNPRQYSLAZZBA-QWRGUYRKSA-N 1 0 307.448 2.012 10 0 DEAERO CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H](C)CCn2cccn2)cn1 ZINC000485988342 406183455 /nfs/dbraw/zinc/18/34/55/406183455.db2.gz HUHFOZDPFCZFOU-HYVNUMGLSA-N 1 0 317.437 2.388 10 0 DEAERO CC(C)(C)c1nc(C(=O)NCCNc2cc[nH+]cc2)cs1 ZINC000535257879 406217638 /nfs/dbraw/zinc/21/76/38/406217638.db2.gz LHFKECSYXPNQCN-UHFFFAOYSA-N 1 0 304.419 2.099 10 0 DEAERO C[C@H](Cc1ccncc1)[NH2+]Cc1c(Br)cnn1C ZINC000487275736 406219920 /nfs/dbraw/zinc/21/99/20/406219920.db2.gz PWYKFRGAZOOHIQ-SNVBAGLBSA-N 1 0 309.211 2.298 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000487280108 406221558 /nfs/dbraw/zinc/22/15/58/406221558.db2.gz QULSNFIDJDJTOK-FXAINCCUSA-N 1 0 314.227 2.086 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]CC1(CCO)CCCC1 ZINC000487316991 406223676 /nfs/dbraw/zinc/22/36/76/406223676.db2.gz DAIUWQNKSZGKKH-UHFFFAOYSA-N 1 0 316.243 2.215 10 0 DEAERO c1ccc(C[N@@H+]2CC[C@@H](N3CCO[C@]4(CCSC4)C3)C2)cc1 ZINC000569238718 406225867 /nfs/dbraw/zinc/22/58/67/406225867.db2.gz PUMWHBWYWBGTOE-QZTJIDSGSA-N 1 0 318.486 2.469 10 0 DEAERO CC(C)[C@@H]1C[C@H]([NH2+]Cc2c(Br)cnn2C)CCO1 ZINC000487579352 406249163 /nfs/dbraw/zinc/24/91/63/406249163.db2.gz VMOFSYDREUDFKM-MFKMUULPSA-N 1 0 316.243 2.476 10 0 DEAERO Cc1cc(C[C@H](C)NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)[nH]n1 ZINC000487549254 406244637 /nfs/dbraw/zinc/24/46/37/406244637.db2.gz HJAXNIBVERYZHM-NWANDNLSSA-N 1 0 321.469 2.211 10 0 DEAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCCC(F)(F)CC1 ZINC000634737953 406256138 /nfs/dbraw/zinc/25/61/38/406256138.db2.gz DALGSERGUAKGHA-RKDXNWHRSA-N 1 0 300.271 2.032 10 0 DEAERO c1csc(-c2nccc(N3CCC[C@]4(CC[NH2+]C4)C3)n2)n1 ZINC000634809147 406295002 /nfs/dbraw/zinc/29/50/02/406295002.db2.gz LKHSYVVGGXRTBH-OAHLLOKOSA-N 1 0 301.419 2.180 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC000546565677 406363000 /nfs/dbraw/zinc/36/30/00/406363000.db2.gz GCIQRGTVBHBIOO-IRXDYDNUSA-N 1 0 323.481 2.389 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](CO)[C@H]2C)cc1C ZINC000488732263 406342559 /nfs/dbraw/zinc/34/25/59/406342559.db2.gz MMKDVOFCYDKEKD-UXLLHSPISA-N 1 0 304.434 2.183 10 0 DEAERO C/C=C\c1ccc(OCC(=O)NC[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000521610782 406357675 /nfs/dbraw/zinc/35/76/75/406357675.db2.gz RBEAUPWTIZLEHR-UYWPIULCSA-N 1 0 318.417 2.223 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H]2CSc3ccccc32)CC1 ZINC000634982665 406384489 /nfs/dbraw/zinc/38/44/89/406384489.db2.gz RGTNAMQLRPCKTH-CHWSQXEVSA-N 1 0 311.472 2.433 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CCC(=O)c1ccc(Cl)cn1 ZINC000547429236 406409562 /nfs/dbraw/zinc/40/95/62/406409562.db2.gz PWWDXPRPRWWOTM-UHFFFAOYSA-N 1 0 311.813 2.108 10 0 DEAERO CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000522934892 406414043 /nfs/dbraw/zinc/41/40/43/406414043.db2.gz LVDPZEPICWYTBE-HOTGVXAUSA-N 1 0 324.465 2.440 10 0 DEAERO CC(C)[C@H](CNC(=O)NCCOCC1CCC1)[NH+]1CCCC1 ZINC000570256470 406367818 /nfs/dbraw/zinc/36/78/18/406367818.db2.gz BZGZVRQXMDOWPO-INIZCTEOSA-N 1 0 311.470 2.223 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000637954259 406494401 /nfs/dbraw/zinc/49/44/01/406494401.db2.gz UZQKAZKHHCXHPE-SQNIBIBYSA-N 1 0 315.461 2.237 10 0 DEAERO CC(=O)N(C)c1ccccc1NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC000570736303 406433779 /nfs/dbraw/zinc/43/37/79/406433779.db2.gz BTTOQUXTOLRZPX-LLVKDONJSA-N 1 0 300.362 2.210 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637869914 406455036 /nfs/dbraw/zinc/45/50/36/406455036.db2.gz ZWBNTWZGCLPNDC-IAGOWNOFSA-N 1 0 303.450 2.237 10 0 DEAERO CN(Cc1ccc(Cl)s1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637888924 406463691 /nfs/dbraw/zinc/46/36/91/406463691.db2.gz LLHBMVINJNCXDN-ZDUSSCGKSA-N 1 0 302.827 2.115 10 0 DEAERO CCCC1(CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638045738 406541105 /nfs/dbraw/zinc/54/11/05/406541105.db2.gz VYNIARMWOKQDTB-INIZCTEOSA-N 1 0 303.450 2.142 10 0 DEAERO CC(=O)N(Cc1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)cc1)C(C)C ZINC000638008251 406520942 /nfs/dbraw/zinc/52/09/42/406520942.db2.gz YRNGFVJKHXLRII-INIZCTEOSA-N 1 0 315.417 2.430 10 0 DEAERO COC(=O)c1cn(C2CC[NH+](CC34CCC(CC3)C4)CC2)nn1 ZINC000571447770 406522340 /nfs/dbraw/zinc/52/23/40/406522340.db2.gz IKCQYCWQKXTSLF-UHFFFAOYSA-N 1 0 318.421 2.282 10 0 DEAERO CC[C@](C)(O)C[NH2+]Cc1snc(OC)c1Br ZINC000638330166 406704431 /nfs/dbraw/zinc/70/44/31/406704431.db2.gz STQUIOOAYGCMMI-JTQLQIEISA-N 1 0 309.229 2.165 10 0 DEAERO Cc1cc(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])cc(C)c1Br ZINC000638297833 406680817 /nfs/dbraw/zinc/68/08/17/406680817.db2.gz BBZZPFLEMDWPIM-CMPLNLGQSA-N 1 0 313.195 2.121 10 0 DEAERO OCCN1CCC[C@H]([NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527655608 406705148 /nfs/dbraw/zinc/70/51/48/406705148.db2.gz KKXPVPGTYQYQFI-NSHDSACASA-N 1 0 308.369 2.313 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CSC2(C)C)cc1 ZINC000572596134 406699188 /nfs/dbraw/zinc/69/91/88/406699188.db2.gz JTOJBRFROKKOMF-UKRRQHHQSA-N 1 0 309.431 2.113 10 0 DEAERO c1cc(C[NH2+]CCC[C@@H]2CCO2)cc(CN2CCOCC2)c1 ZINC000638386375 406739947 /nfs/dbraw/zinc/73/99/47/406739947.db2.gz LMVIOXBSWTXOPA-GOSISDBHSA-N 1 0 304.434 2.178 10 0 DEAERO c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000554241638 406787695 /nfs/dbraw/zinc/78/76/95/406787695.db2.gz OLYIPCLDOXCJJA-KRWDZBQOSA-N 1 0 320.400 2.437 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000643619840 407018437 /nfs/dbraw/zinc/01/84/37/407018437.db2.gz HRXVOBKNXBSCSB-MWLCHTKSSA-N 1 0 317.216 2.407 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000246791098 287227609 /nfs/dbraw/zinc/22/76/09/287227609.db2.gz PLDHSNUEVDYKDG-ZNMIVQPWSA-N 1 0 309.454 2.212 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000129051538 196015274 /nfs/dbraw/zinc/01/52/74/196015274.db2.gz LXQPRXXPHYVTJO-HZMVEIRTSA-N 1 0 316.445 2.089 10 0 DEAERO C[NH2+][C@H](C)c1ccc(Br)cc1-n1ccc(C(N)=O)n1 ZINC000129225344 196030189 /nfs/dbraw/zinc/03/01/89/196030189.db2.gz DYGOGVADCVJVCR-MRVPVSSYSA-N 1 0 323.194 2.014 10 0 DEAERO CC[C@](C)(C[NH3+])C(=O)Nc1ncc(Br)cc1C ZINC000129609480 196061392 /nfs/dbraw/zinc/06/13/92/196061392.db2.gz HTNOBKNQSZMZNE-GFCCVEGCSA-N 1 0 300.200 2.466 10 0 DEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ncc(Br)cc1C ZINC000129630990 196063379 /nfs/dbraw/zinc/06/33/79/196063379.db2.gz IBDVCEZALHAGCF-SECBINFHSA-N 1 0 300.200 2.479 10 0 DEAERO C[C@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)[N@@H+]1CCc2ccccc2C1 ZINC000129653336 196064741 /nfs/dbraw/zinc/06/47/41/196064741.db2.gz PQKYYHDJYUBCTN-CPUCHLNUSA-N 1 0 302.418 2.117 10 0 DEAERO CC(C)(C(=O)N1CCC[C@H]1c1ccsc1)N1CC[NH2+]CC1 ZINC000129655951 196064996 /nfs/dbraw/zinc/06/49/96/196064996.db2.gz ODLIMIMVCMZHMU-AWEZNQCLSA-N 1 0 307.463 2.095 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)c1cc[nH+]c(NN)c1 ZINC000129793686 196076550 /nfs/dbraw/zinc/07/65/50/196076550.db2.gz PHCIUWWBIAHHNW-UHFFFAOYSA-N 1 0 322.166 2.085 10 0 DEAERO CCc1ncsc1C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000130560003 196090714 /nfs/dbraw/zinc/09/07/14/196090714.db2.gz QUEYYENFBBEZFV-GFCCVEGCSA-N 1 0 323.462 2.031 10 0 DEAERO [NH3+]C1CCN([C@H]2CCN(Cc3c(F)cccc3Cl)C2)CC1 ZINC000130602200 196094511 /nfs/dbraw/zinc/09/45/11/196094511.db2.gz CRSUIFRIMQAJBV-ZDUSSCGKSA-N 1 0 311.832 2.477 10 0 DEAERO C[NH2+][C@H](c1cccc2c1OCCC2)[C@H]1CCCCS1(=O)=O ZINC000131088123 196138231 /nfs/dbraw/zinc/13/82/31/196138231.db2.gz RGUCAFQEOVTWKH-HUUCEWRRSA-N 1 0 309.431 2.239 10 0 DEAERO COc1cc(OC)cc(C(=O)NCc2nccn2CC(C)C)c1 ZINC000131173239 196146615 /nfs/dbraw/zinc/14/66/15/196146615.db2.gz LLKJDEOHQKGSKE-UHFFFAOYSA-N 1 0 317.389 2.486 10 0 DEAERO CCNc1ncc(Br)c(N[C@@H](C)CC[NH+](C)C)n1 ZINC000131207752 196149421 /nfs/dbraw/zinc/14/94/21/196149421.db2.gz SMWLKIKOKKWJJK-VIFPVBQESA-N 1 0 316.247 2.423 10 0 DEAERO C[N@H+](CC(=O)Nc1cc(N)ccc1Cl)[C@@H]1CCCC[C@@H]1O ZINC000131232410 196151816 /nfs/dbraw/zinc/15/18/16/196151816.db2.gz HGFXQNXNDXMQBW-KGLIPLIRSA-N 1 0 311.813 2.096 10 0 DEAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC[C@H](C)OCC)c1 ZINC000131230020 196152599 /nfs/dbraw/zinc/15/25/99/196152599.db2.gz CMAVAVVKOGXHNJ-STQMWFEESA-N 1 0 314.451 2.060 10 0 DEAERO C[S@@](=O)CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000131392691 196164293 /nfs/dbraw/zinc/16/42/93/196164293.db2.gz DSQSISHADOWGAU-GUYCJALGSA-N 1 0 316.264 2.275 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C(=O)C[C@H](C)c2ccccc2C)CC1 ZINC000131539867 196178621 /nfs/dbraw/zinc/17/86/21/196178621.db2.gz LMJLWVPQMFEASG-IRXDYDNUSA-N 1 0 318.461 2.404 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccncc1F ZINC000131795717 196200518 /nfs/dbraw/zinc/20/05/18/196200518.db2.gz OKUCQXOAELBGHQ-CQSZACIVSA-N 1 0 301.365 2.123 10 0 DEAERO CC[NH2+][C@@H](CC)c1ccc(SCCS(C)(=O)=O)cn1 ZINC000131899033 196207986 /nfs/dbraw/zinc/20/79/86/196207986.db2.gz HBQLNZQQLHJVKA-LBPRGKRZSA-N 1 0 302.465 2.279 10 0 DEAERO C[C@H](O)C[NH2+]CCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000132182288 196233744 /nfs/dbraw/zinc/23/37/44/196233744.db2.gz RNMPUUOJHUEDQT-QMMMGPOBSA-N 1 0 306.193 2.085 10 0 DEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1sc2cccnc2c1N ZINC000132246084 196238952 /nfs/dbraw/zinc/23/89/52/196238952.db2.gz FCCHQYOGEZRAAH-SNVBAGLBSA-N 1 0 306.435 2.339 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCCc2sc(Br)cc21)C(N)=O ZINC000132273962 196240491 /nfs/dbraw/zinc/24/04/91/196240491.db2.gz QIDSPNZMAJFIIY-SVRRBLITSA-N 1 0 303.225 2.351 10 0 DEAERO Cc1ccc([C@H]2NCC(=O)N2CC2([NH+](C)C)CCCC2)s1 ZINC000132444985 196255884 /nfs/dbraw/zinc/25/58/84/196255884.db2.gz NMUUFVNHSMFDSJ-HNNXBMFYSA-N 1 0 307.463 2.361 10 0 DEAERO CC(C)[N@@H+]1CCC[C@](O)(c2c(Br)cnn2C)CC1 ZINC000132512921 196261619 /nfs/dbraw/zinc/26/16/19/196261619.db2.gz LFUNAJVRGFZQRK-CYBMUJFWSA-N 1 0 316.243 2.265 10 0 DEAERO COCc1nc(N[C@@H]2CCCc3sccc32)cc(NN)[nH+]1 ZINC000132918448 196296525 /nfs/dbraw/zinc/29/65/25/196296525.db2.gz GDPTXWNUNWITQN-SNVBAGLBSA-N 1 0 305.407 2.460 10 0 DEAERO COc1cc(C)cc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000132965042 196300420 /nfs/dbraw/zinc/30/04/20/196300420.db2.gz DNRAVWFBAXPPHA-MRXNPFEDSA-N 1 0 315.417 2.159 10 0 DEAERO O[C@H](Cc1cc(F)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000133097034 196311562 /nfs/dbraw/zinc/31/15/62/196311562.db2.gz PAINCIJAKHIJAP-TVQRCGJNSA-N 1 0 302.187 2.491 10 0 DEAERO Cn1ncc(Br)c1[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000133749644 196334112 /nfs/dbraw/zinc/33/41/12/196334112.db2.gz BXGNCQJHIGPHSF-GFCCVEGCSA-N 1 0 324.178 2.002 10 0 DEAERO CCc1nn(CC)c(CN(C)CCC[NH3+])c1Br ZINC000133817443 196338075 /nfs/dbraw/zinc/33/80/75/196338075.db2.gz DHZOKFOEMZYVDE-UHFFFAOYSA-N 1 0 303.248 2.009 10 0 DEAERO CCOc1ccc2[nH]c(SCC3(O)CC[NH2+]CC3)nc2c1 ZINC000133819500 196338648 /nfs/dbraw/zinc/33/86/48/196338648.db2.gz MVVGEFSETJJMEP-UHFFFAOYSA-N 1 0 307.419 2.168 10 0 DEAERO COCc1nnc2sc([C@@H]3CC[C@@H]4CCCC[C@@H]4[NH2+]3)nn12 ZINC000133942031 196347963 /nfs/dbraw/zinc/34/79/63/196347963.db2.gz VVFQKYBQAQXQHF-DCAQKATOSA-N 1 0 307.423 2.316 10 0 DEAERO [NH3+]Cc1nc(-c2nn3c(nnc3C3CCCC3)s2)cs1 ZINC000133981020 196351030 /nfs/dbraw/zinc/35/10/30/196351030.db2.gz SAZZUGDDYMHTFN-UHFFFAOYSA-N 1 0 306.420 2.426 10 0 DEAERO [NH3+][C@@H]1CN(c2cc(Br)cc(C(F)(F)F)c2)C1=O ZINC000133975402 196351061 /nfs/dbraw/zinc/35/10/61/196351061.db2.gz UVNNRTSWRSURIE-MRVPVSSYSA-N 1 0 309.085 2.142 10 0 DEAERO C[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000133981431 196351150 /nfs/dbraw/zinc/35/11/50/196351150.db2.gz CKJGMASUMUOQBT-AWEZNQCLSA-N 1 0 318.808 2.350 10 0 DEAERO CC(C)COCCCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000134212072 196370839 /nfs/dbraw/zinc/37/08/39/196370839.db2.gz AZXGMOSMWPANIY-MRXNPFEDSA-N 1 0 313.486 2.469 10 0 DEAERO CCC(CO)(CO)[NH2+][C@@H](C)c1sccc1Br ZINC000134465810 196393825 /nfs/dbraw/zinc/39/38/25/196393825.db2.gz VIQUSHYHXSSKHO-QMMMGPOBSA-N 1 0 308.241 2.295 10 0 DEAERO CC[C@@H]([NH3+])CCNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000135189848 196451244 /nfs/dbraw/zinc/45/12/44/196451244.db2.gz YTJLUATXFCPZBZ-SECBINFHSA-N 1 0 310.341 2.111 10 0 DEAERO C[NH2+][C@H](c1ccncc1F)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000135862136 196505601 /nfs/dbraw/zinc/50/56/01/196505601.db2.gz BKEXXFIKDVWONG-SUNKGSAMSA-N 1 0 300.399 2.085 10 0 DEAERO CNC(=O)c1cc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)ccc1Cl ZINC000136860096 196555135 /nfs/dbraw/zinc/55/51/35/196555135.db2.gz WSIRZBKJSPHPQF-GFCCVEGCSA-N 1 0 311.813 2.402 10 0 DEAERO O[C@@H](C[NH2+]C1CC1)COc1ccc(F)c(Br)c1 ZINC000137535698 196577177 /nfs/dbraw/zinc/57/71/77/196577177.db2.gz YKSAREGSBJKSCE-VIFPVBQESA-N 1 0 304.159 2.080 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(F)cc1F)C[C@@H]1CCS(=O)(=O)C1 ZINC000138033721 196581724 /nfs/dbraw/zinc/58/17/24/196581724.db2.gz USPQXMRTSUQFOV-SMDDNHRTSA-N 1 0 317.401 2.310 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(C(C)(C)C)cs2)[C@H](C)C1 ZINC000189564467 225056457 /nfs/dbraw/zinc/05/64/57/225056457.db2.gz CDFCNKVNOCZLDN-CHWSQXEVSA-N 1 0 311.495 2.328 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000194069005 225173561 /nfs/dbraw/zinc/17/35/61/225173561.db2.gz RNTMACNLDIFSID-CZUORRHYSA-N 1 0 306.406 2.238 10 0 DEAERO C[C@@H]1CCC[C@@H](C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000119475495 287371068 /nfs/dbraw/zinc/37/10/68/287371068.db2.gz ZPBUXSCBJUBKGI-KURKYZTESA-N 1 0 321.509 2.441 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H]2C[NH+]2CCCC2)[C@@H]1C ZINC000245809909 287470668 /nfs/dbraw/zinc/47/06/68/287470668.db2.gz GOOXELFJEVEAPE-BDXSIMOUSA-N 1 0 321.509 2.488 10 0 DEAERO C[C@@H]1CN(c2cncc(OCC3CCCC3)n2)C[C@@H]1[NH+](C)C ZINC000302327941 230215916 /nfs/dbraw/zinc/21/59/16/230215916.db2.gz YPXICMYNYWGGRU-HIFRSBDPSA-N 1 0 304.438 2.432 10 0 DEAERO Cc1noc(C)c1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000047258457 424824431 /nfs/dbraw/zinc/82/44/31/424824431.db2.gz JMNQRQDTYVUKOH-UHFFFAOYSA-N 1 0 301.394 2.209 10 0 DEAERO O[C@H](C[NH2+]CC[C@@H]1CCCO1)COCc1ccccc1Cl ZINC000038097145 424808538 /nfs/dbraw/zinc/80/85/38/424808538.db2.gz JZYRPANVWCMMGT-CABCVRRESA-N 1 0 313.825 2.376 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)c1 ZINC000105881467 424849641 /nfs/dbraw/zinc/84/96/41/424849641.db2.gz HBWKZRRGLNRNAW-LLVKDONJSA-N 1 0 308.332 2.087 10 0 DEAERO CSCCC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000192959092 424865885 /nfs/dbraw/zinc/86/58/85/424865885.db2.gz VDYLHHKPGGTYIU-UHFFFAOYSA-N 1 0 321.490 2.068 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000193807111 424871524 /nfs/dbraw/zinc/87/15/24/424871524.db2.gz ZNMQCAMQQJDYCK-UHFFFAOYSA-N 1 0 323.868 2.025 10 0 DEAERO [NH3+]CC1(NC(=O)c2ccc(C(F)(F)F)cn2)CCCCC1 ZINC000126316132 424856024 /nfs/dbraw/zinc/85/60/24/424856024.db2.gz VERQAUOGQBHZLA-UHFFFAOYSA-N 1 0 301.312 2.492 10 0 DEAERO C[N@@H+]1CC[C@@H]2CN(c3ncc(Br)cc3F)C[C@@H]2C1 ZINC000386455762 424911869 /nfs/dbraw/zinc/91/18/69/424911869.db2.gz FFWYYRNTKMDDSR-ZJUUUORDSA-N 1 0 314.202 2.371 10 0 DEAERO CC[C@H]1CN(CC(=O)N(CC)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000390767111 424917701 /nfs/dbraw/zinc/91/77/01/424917701.db2.gz RTIJTUUTSNZFLV-IRXDYDNUSA-N 1 0 303.450 2.094 10 0 DEAERO Brc1ccsc1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404248876 424926047 /nfs/dbraw/zinc/92/60/47/424926047.db2.gz IAAQEXKYBAOGIW-QWRGUYRKSA-N 1 0 317.252 2.073 10 0 DEAERO Cc1cc(S(=O)(=O)NCCC2(C[NH3+])CC2)sc1Cl ZINC000404701872 424928035 /nfs/dbraw/zinc/92/80/35/424928035.db2.gz ZFSRPDZZGFAFHA-UHFFFAOYSA-N 1 0 308.856 2.117 10 0 DEAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1nscc1Br ZINC000404776536 424929016 /nfs/dbraw/zinc/92/90/16/424929016.db2.gz AJSZYWKVDPLADO-QMMMGPOBSA-N 1 0 318.240 2.072 10 0 DEAERO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1nscc1Br ZINC000404800816 424929817 /nfs/dbraw/zinc/92/98/17/424929817.db2.gz VGPJXGWSBZUWSF-FJXKBIBVSA-N 1 0 318.240 2.022 10 0 DEAERO CC[N@H+](C)C[C@H](O)CN[C@H](C)c1cccc(Br)c1 ZINC000310733488 424894533 /nfs/dbraw/zinc/89/45/33/424894533.db2.gz FOMWXYLMADTYLK-BXUZGUMPSA-N 1 0 315.255 2.412 10 0 DEAERO Cc1occc1-c1cc(NC(=O)N[C@](C)(C[NH3+])C(C)C)no1 ZINC000415612658 424952394 /nfs/dbraw/zinc/95/23/94/424952394.db2.gz PAXAALVUDPUDDE-OAHLLOKOSA-N 1 0 306.366 2.738 10 0 DEAERO Cc1cc(NCCC[NH+](CCO)C(C)C)nc2ccccc12 ZINC000584603337 424991461 /nfs/dbraw/zinc/99/14/61/424991461.db2.gz WQKUSOAHSFSGRP-UHFFFAOYSA-N 1 0 301.434 3.048 10 0 DEAERO Cc1cnccc1CC[NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C ZINC000657416774 425330164 /nfs/dbraw/zinc/33/01/64/425330164.db2.gz FNYRHBCCPSWYFX-DLBZAZTESA-N 1 0 314.433 2.424 10 0 DEAERO O[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)[C@H]1n1cccn1 ZINC000657514844 425355569 /nfs/dbraw/zinc/35/55/69/425355569.db2.gz BEKYRYJGRMDZFQ-IPMKNSEASA-N 1 0 320.396 2.409 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(=O)[nH]c1 ZINC000009992181 267358212 /nfs/dbraw/zinc/35/82/12/267358212.db2.gz KDAMWRVELAHZOR-UHFFFAOYSA-N 1 0 311.385 2.313 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3ccco3)no2)[C@H](C)C1 ZINC000081096696 267379204 /nfs/dbraw/zinc/37/92/04/267379204.db2.gz LJTULEBFSJSJII-CHWSQXEVSA-N 1 0 304.394 2.492 10 0 DEAERO O=C(Nc1ccc(F)c(Br)c1F)[C@@H]1CC[NH2+]C1 ZINC000659380550 425589714 /nfs/dbraw/zinc/58/97/14/425589714.db2.gz CHUTYEUSCOMZDC-ZCFIWIBFSA-N 1 0 305.122 2.275 10 0 DEAERO [NH3+]C[C@H]1CCCN1C(=O)Cc1ccc(Br)cc1F ZINC000662422872 425647854 /nfs/dbraw/zinc/64/78/54/425647854.db2.gz AWAWHMGPTIYHQS-LLVKDONJSA-N 1 0 315.186 2.080 10 0 DEAERO CN(C(=O)c1ccc2ncsc2c1)[C@H](C[NH3+])C(F)(F)F ZINC000662980981 425771463 /nfs/dbraw/zinc/77/14/63/425771463.db2.gz LIGCQJGITKPEQN-SNVBAGLBSA-N 1 0 303.309 2.258 10 0 DEAERO C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000662957393 425766843 /nfs/dbraw/zinc/76/68/43/425766843.db2.gz VFNYNJROYWWZKB-RKDXNWHRSA-N 1 0 305.205 2.485 10 0 DEAERO COc1nc(NCC[C@@H]([NH3+])C(C)C)ncc1Br ZINC000663276367 425824215 /nfs/dbraw/zinc/82/42/15/425824215.db2.gz UMOCUNCLQUZMFD-SECBINFHSA-N 1 0 303.204 2.033 10 0 DEAERO CC(C)c1noc2ncc(C(=O)NCC3CC[NH+](C)CC3)cc21 ZINC000194938014 268562779 /nfs/dbraw/zinc/56/27/79/268562779.db2.gz RGMDJHUAKXFLKS-UHFFFAOYSA-N 1 0 316.405 2.418 10 0 DEAERO O=C(NCc1ccc2c(c1)COC2)N1CCC2(CC[NH2+]C2)CC1 ZINC000333410183 268941274 /nfs/dbraw/zinc/94/12/74/268941274.db2.gz RDBRWLFYEBSHKF-UHFFFAOYSA-N 1 0 315.417 2.002 10 0 DEAERO CC(C)[C@@H]1C[C@H]1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333603710 268960485 /nfs/dbraw/zinc/96/04/85/268960485.db2.gz PTTHJOXNCMVTOI-BHRHGYPASA-N 1 0 305.466 2.484 10 0 DEAERO CC1(CNC(=O)N2CCO[C@H](C3CCCCC3)C2)CC[NH2+]CC1 ZINC000333798520 268992705 /nfs/dbraw/zinc/99/27/05/268992705.db2.gz HJIXCSWFHQPPMO-INIZCTEOSA-N 1 0 323.481 2.367 10 0 DEAERO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000333926504 269005017 /nfs/dbraw/zinc/00/50/17/269005017.db2.gz VLWCQODTPVTOGB-RRFJBIMHSA-N 1 0 309.417 2.329 10 0 DEAERO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000360015033 269045902 /nfs/dbraw/zinc/04/59/02/269045902.db2.gz KGROTUUVSBWSCL-MRXNPFEDSA-N 1 0 314.389 2.185 10 0 DEAERO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCCCOCc1ccccc1 ZINC000390553586 269097226 /nfs/dbraw/zinc/09/72/26/269097226.db2.gz FPUJORLPCWZMAK-FUHWJXTLSA-N 1 0 306.450 2.340 10 0 DEAERO C[C@@]1(C(=O)NCc2csc(Br)c2)CCC[NH2+]1 ZINC000397302583 269105404 /nfs/dbraw/zinc/10/54/04/269105404.db2.gz KZYNQFBRSSBJBH-NSHDSACASA-N 1 0 303.225 2.269 10 0 DEAERO CC(C)CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397626682 269106469 /nfs/dbraw/zinc/10/64/69/269106469.db2.gz KZOWHLKDFPTDKT-UHFFFAOYSA-N 1 0 304.434 2.176 10 0 DEAERO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000262003708 273601596 /nfs/dbraw/zinc/60/15/96/273601596.db2.gz GOMOIHVZFGEJNT-UHFFFAOYSA-N 1 0 314.451 2.108 10 0 DEAERO C[C@H]1C[C@H](CC[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)C[C@@H](C)C1 ZINC000245854395 274618838 /nfs/dbraw/zinc/61/88/38/274618838.db2.gz JTCAYCHJOUMKOQ-FICVDOATSA-N 1 0 321.465 2.465 10 0 DEAERO CCC1(CC)[C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)[C@H](C)[C@H]1OC ZINC000329306952 275963396 /nfs/dbraw/zinc/96/33/96/275963396.db2.gz YBQJLAMUTXMZFV-KSZJFAHPSA-N 1 0 306.454 2.331 10 0 DEAERO CCC[C@@H](C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)[NH+](C)C ZINC000119171439 276021297 /nfs/dbraw/zinc/02/12/97/276021297.db2.gz QXNJLLKCGOOPQN-PBHICJAKSA-N 1 0 321.440 2.499 10 0 DEAERO CCC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000121022477 276028540 /nfs/dbraw/zinc/02/85/40/276028540.db2.gz GPTKYMZXKCJXCU-HUUCEWRRSA-N 1 0 304.438 2.346 10 0 DEAERO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000114493928 276154421 /nfs/dbraw/zinc/15/44/21/276154421.db2.gz ZFCOXFGIDWLRFE-KRWDZBQOSA-N 1 0 305.422 2.139 10 0 DEAERO CN1CCC([N@@H+]2CC[C@H]3COC(=O)N3c3ccccc3C2)CC1 ZINC000225482048 277029126 /nfs/dbraw/zinc/02/91/26/277029126.db2.gz GHLPRPAJNHPMKN-INIZCTEOSA-N 1 0 315.417 2.312 10 0 DEAERO CNC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091675529 277247800 /nfs/dbraw/zinc/24/78/00/277247800.db2.gz GPHRSMSKMZWGQH-RISCZKNCSA-N 1 0 323.824 2.147 10 0 DEAERO CC(C)=CCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000189319753 277325857 /nfs/dbraw/zinc/32/58/57/277325857.db2.gz SJPCHZJXMQTHBV-UHFFFAOYSA-N 1 0 322.497 2.202 10 0 DEAERO C[C@@H](C[NH2+][C@H]1CSCCc2ccccc21)N1CCOCC1 ZINC000123480513 278287259 /nfs/dbraw/zinc/28/72/59/278287259.db2.gz JIRBEFPEXFECHS-YOEHRIQHSA-N 1 0 306.475 2.327 10 0 DEAERO CC1(C)CN([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC[C@H]1[NH3+] ZINC000261841956 278340357 /nfs/dbraw/zinc/34/03/57/278340357.db2.gz QQCUUBJZJXGMHU-HZPDHXFCSA-N 1 0 319.424 2.380 10 0 DEAERO CC(C)C[NH+](CC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176629334 278846104 /nfs/dbraw/zinc/84/61/04/278846104.db2.gz NAIQSTZLSIHPDD-OAHLLOKOSA-N 1 0 304.500 2.272 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCSC(C)(C)C1 ZINC000083710852 279124827 /nfs/dbraw/zinc/12/48/27/279124827.db2.gz AKGQHIKDNRZVEC-CYBMUJFWSA-N 1 0 301.500 2.500 10 0 DEAERO CC[NH+](CC)[C@H](CNc1ccc(C(=O)NC)nn1)CC(C)C ZINC000156753926 279165501 /nfs/dbraw/zinc/16/55/01/279165501.db2.gz MANWITYLCCWNHL-ZDUSSCGKSA-N 1 0 307.442 2.005 10 0 DEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000251712625 280265529 /nfs/dbraw/zinc/26/55/29/280265529.db2.gz JPUDSQHMEUKDHV-KFWWJZLASA-N 1 0 302.484 2.216 10 0 DEAERO O=C1[C@H](N2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1ccc(Cl)cc1 ZINC000172624702 280323489 /nfs/dbraw/zinc/32/34/89/280323489.db2.gz DGXSIQRGOXQRIR-HZPDHXFCSA-N 1 0 319.836 2.225 10 0 DEAERO Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N2CCC[NH2+]CC2)cc1 ZINC000262484157 281006263 /nfs/dbraw/zinc/00/62/63/281006263.db2.gz WGIJBHIWRUQAID-DLBZAZTESA-N 1 0 302.418 2.285 10 0 DEAERO Cc1ccc2[nH+]ccc(N3CCc4nn(C)c(=O)cc4C3)c2c1 ZINC000185740272 281170951 /nfs/dbraw/zinc/17/09/51/281170951.db2.gz KMFVIRDNIXEWMM-UHFFFAOYSA-N 1 0 306.369 2.200 10 0 DEAERO Cc1ccc(OC[C@H](O)CN2CCC([NH2+]C(C)C)CC2)cc1 ZINC000108370770 281670276 /nfs/dbraw/zinc/67/02/76/281670276.db2.gz XIGUPSFSMKYLMA-QGZVFWFLSA-N 1 0 306.450 2.197 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@]1(C)CCCO1 ZINC000119989094 281732478 /nfs/dbraw/zinc/73/24/78/281732478.db2.gz MRQYVPKMWAIRHY-SJLPKXTDSA-N 1 0 319.449 2.028 10 0 DEAERO CN(C)C(=O)c1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)[nH]1 ZINC000092785585 282003590 /nfs/dbraw/zinc/00/35/90/282003590.db2.gz HDEULIDRNHTFGN-INIZCTEOSA-N 1 0 318.465 2.167 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]2C(C)(C)O)CC1 ZINC000186571492 289101140 /nfs/dbraw/zinc/10/11/40/289101140.db2.gz FHYXYJLFUWZTED-YMAMQOFZSA-N 1 0 311.470 2.052 10 0 DEAERO CN1CCC(CNC(=O)C2CC=CC2)([NH+]2CCCCC2)CC1 ZINC000172750520 289877496 /nfs/dbraw/zinc/87/74/96/289877496.db2.gz HIQSZDOUPXYSID-UHFFFAOYSA-N 1 0 305.466 2.019 10 0 DEAERO C[N@@H+]1CCN(C(=O)c2ncncc2Cl)C2(CCCCC2)C1 ZINC000177669271 290033759 /nfs/dbraw/zinc/03/37/59/290033759.db2.gz FJMLHNSJYRREAF-UHFFFAOYSA-N 1 0 308.813 2.221 10 0 DEAERO C[N@@H+]1C[C@@H](C(=O)Nc2ccnn2C(C)(C)C)[C@H](C(F)(F)F)C1 ZINC000299744505 290266964 /nfs/dbraw/zinc/26/69/64/290266964.db2.gz OZANWTBPRNWLTG-NXEZZACHSA-N 1 0 318.343 2.317 10 0 DEAERO COc1ccccc1/C=C\CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000438328775 295347907 /nfs/dbraw/zinc/34/79/07/295347907.db2.gz OHKHDECTMDJAAP-GQSKFBFOSA-N 1 0 318.461 2.485 10 0 DEAERO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)Nc1nccs1 ZINC000128040905 295523111 /nfs/dbraw/zinc/52/31/11/295523111.db2.gz IEUVRKQSUAYHAK-RYUDHWBXSA-N 1 0 305.407 2.052 10 0 DEAERO C[S@](=O)C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccccc1 ZINC000248564260 300886785 /nfs/dbraw/zinc/88/67/85/300886785.db2.gz KJLUNMJVBQTYQV-AYMMHLMVSA-N 1 0 315.438 2.354 10 0 DEAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000574103519 326123546 /nfs/dbraw/zinc/12/35/46/326123546.db2.gz OZGKOXLLYUXMOS-SZMVWBNQSA-N 1 0 323.408 2.172 10 0 DEAERO O=C(c1coc(Br)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574191786 326131530 /nfs/dbraw/zinc/13/15/30/326131530.db2.gz VZGMELHXWCGVGO-ZDUSSCGKSA-N 1 0 313.195 2.258 10 0 DEAERO C[C@H](CNC(=O)NCCOCC1CCC1)[N@@H+]1CCCC[C@@H]1C ZINC000575037638 326211993 /nfs/dbraw/zinc/21/19/93/326211993.db2.gz RHTKMBAEHSUQEO-LSDHHAIUSA-N 1 0 311.470 2.365 10 0 DEAERO C[NH+](C)Cc1cccc(CNC(=O)NCCOCC2CCC2)c1 ZINC000576041829 326264965 /nfs/dbraw/zinc/26/49/65/326264965.db2.gz MPXARMJYHJERAN-UHFFFAOYSA-N 1 0 319.449 2.364 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000189955808 335693998 /nfs/dbraw/zinc/69/39/98/335693998.db2.gz OLTCHFJNTVHJSS-KBPBESRZSA-N 1 0 320.437 2.325 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000189977565 336257184 /nfs/dbraw/zinc/25/71/84/336257184.db2.gz CJQHZYBDPIDBQZ-RWMBFGLXSA-N 1 0 318.421 2.076 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000189978644 336257911 /nfs/dbraw/zinc/25/79/11/336257911.db2.gz KGJSUVGPPFBWEE-CHWSQXEVSA-N 1 0 322.453 2.427 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1c[nH]c(=O)c2ccccc12 ZINC000190380774 336263734 /nfs/dbraw/zinc/26/37/34/336263734.db2.gz VHUZHXPYMGOJDQ-CYBMUJFWSA-N 1 0 315.417 2.234 10 0 DEAERO CCOC[C@H](O)C[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398045859 337304957 /nfs/dbraw/zinc/30/49/57/337304957.db2.gz BQECGONGEKTQDJ-QZTJIDSGSA-N 1 0 306.450 2.028 10 0 DEAERO c1c(C[NH2+]CC[C@@H]2COc3ccccc3O2)nc2ncccn12 ZINC000584396425 337317547 /nfs/dbraw/zinc/31/75/47/337317547.db2.gz PLXRSWZQGMFBBJ-CQSZACIVSA-N 1 0 310.357 2.049 10 0 DEAERO CCCCCOC[C@H](O)C[NH2+]CCOc1ccccc1OC ZINC000584627855 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[NH3+][C@@H](CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1)C1CC1 ZINC000238061156 527333063 /nfs/dbraw/zinc/33/30/63/527333063.db2.gz TYRIGKSKZBMGFJ-AWEZNQCLSA-N 1 0 312.373 2.081 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)OCc2ccc(F)cc2)C1 ZINC000448765414 527740830 /nfs/dbraw/zinc/74/08/30/527740830.db2.gz XUHGUKYKSQIVMR-HIFRSBDPSA-N 1 0 308.397 2.189 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000248942622 527978504 /nfs/dbraw/zinc/97/85/04/527978504.db2.gz YYDQIXDSRKXZGA-GVDBMIGSSA-N 1 0 323.481 2.364 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(C)c1Cl)c1ccco1 ZINC000294787426 528244315 /nfs/dbraw/zinc/24/43/15/528244315.db2.gz SHBOIAHUZIYSAI-LBPRGKRZSA-N 1 0 324.812 2.479 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1ccc(F)cc1F ZINC000189137510 528502651 /nfs/dbraw/zinc/50/26/51/528502651.db2.gz XZNVPDITPLKVBK-GFCCVEGCSA-N 1 0 320.405 2.219 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000189134224 528503072 /nfs/dbraw/zinc/50/30/72/528503072.db2.gz GRGZSPGBVUUNDV-LLVKDONJSA-N 1 0 320.405 2.219 10 0 DEAERO CCOCC[N@@H+]1CCN(c2nc(C)nc3c2CCCC3)C[C@@H]1C ZINC000302061795 528757980 /nfs/dbraw/zinc/75/79/80/528757980.db2.gz UBSHTRIQHJWAEG-AWEZNQCLSA-N 1 0 318.465 2.211 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000194917122 529089441 /nfs/dbraw/zinc/08/94/41/529089441.db2.gz LICJLUIAKMDEEZ-HRCADAONSA-N 1 0 305.397 2.465 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000189052116 529229063 /nfs/dbraw/zinc/22/90/63/529229063.db2.gz IORAAEBKDUBUFJ-CQSZACIVSA-N 1 0 300.805 2.368 10 0 DEAERO CCCCCNC(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249555797 535071864 /nfs/dbraw/zinc/07/18/64/535071864.db2.gz JQTKCONHSQZQEW-NUEKZKHPSA-N 1 0 324.490 2.451 10 0 DEAERO CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249554501 535072465 /nfs/dbraw/zinc/07/24/65/535072465.db2.gz JFJJTSHFKIDMQB-JGGQBBKZSA-N 1 0 324.490 2.449 10 0 DEAERO CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247437081 535113497 /nfs/dbraw/zinc/11/34/97/535113497.db2.gz ZIGPXIBRSRRHLI-HZPDHXFCSA-N 1 0 321.469 2.075 10 0 DEAERO CC(C)COc1ccc(C(C)(C)CNC(=O)C2C[NH2+]C2)cc1 ZINC000262163699 535220472 /nfs/dbraw/zinc/22/04/72/535220472.db2.gz BMYWYEAKDWMDOB-UHFFFAOYSA-N 1 0 304.434 2.335 10 0 DEAERO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCc1cccc(OC)n1 ZINC000358892864 535231587 /nfs/dbraw/zinc/23/15/87/535231587.db2.gz SKXHVDSXAGMWHJ-CQSZACIVSA-N 1 0 322.453 2.052 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)c2cncc(F)c2)CC1 ZINC000358184666 535244471 /nfs/dbraw/zinc/24/44/71/535244471.db2.gz HLGUIUJZFXBFKA-ZDUSSCGKSA-N 1 0 306.385 2.233 10 0 DEAERO CC1(C)CN(Cc2nc(Cc3ccccc3)no2)CC[C@@H]1[NH3+] ZINC000262572082 535356658 /nfs/dbraw/zinc/35/66/58/535356658.db2.gz XMRVRYGKQDWNDA-AWEZNQCLSA-N 1 0 300.406 2.220 10 0 DEAERO CC1(C)CN(S(=O)(=O)Cc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000261753225 535358260 /nfs/dbraw/zinc/35/82/60/535358260.db2.gz 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CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000714253115 792306699 /nfs/dbraw/zinc/30/66/99/792306699.db2.gz UJDPAILPDGCVKD-HAQNSBGRSA-N 1 0 307.337 2.371 10 0 DEAERO CC(C)CC[C@H]([NH3+])C(=O)NCc1ncc(Br)s1 ZINC000714944579 792361187 /nfs/dbraw/zinc/36/11/87/792361187.db2.gz RVBYLGRSINSHHG-QMMMGPOBSA-N 1 0 320.256 2.285 10 0 DEAERO Cc1ccc(O)c(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000715103478 792383043 /nfs/dbraw/zinc/38/30/43/792383043.db2.gz LQJQBNLJXLIIIM-JOCQHMNTSA-N 1 0 321.421 2.489 10 0 DEAERO [NH3+]C1CC(CNC(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000715140131 792395971 /nfs/dbraw/zinc/39/59/71/792395971.db2.gz FJZCEGUXSDTYEZ-UHFFFAOYSA-N 1 0 303.189 2.226 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)c(C)s1 ZINC000716560512 792973798 /nfs/dbraw/zinc/97/37/98/792973798.db2.gz XKYIDXOJAQCVSJ-SNVBAGLBSA-N 1 0 302.465 2.031 10 0 DEAERO C[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)C1CC[NH2+]CC1 ZINC000716564622 792974805 /nfs/dbraw/zinc/97/48/05/792974805.db2.gz HNNUXFOTXHSXPS-SECBINFHSA-N 1 0 320.817 2.146 10 0 DEAERO c1ccc(N2CCN(CCC[NH2+]Cc3ccncc3)CC2)cc1 ZINC000073803885 796206943 /nfs/dbraw/zinc/20/69/43/796206943.db2.gz JWRZSRCXXKHPLD-UHFFFAOYSA-N 1 0 310.445 2.384 10 0 DEAERO [NH3+][C@H]1CN(c2ncnc3ccsc32)CC[C@H]1C(F)(F)F ZINC000717087336 799193481 /nfs/dbraw/zinc/19/34/81/799193481.db2.gz BUFQSISLNAYGRF-SFYZADRCSA-N 1 0 302.325 2.407 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCc2cn(C)cn2)CN(C(=O)OC(C)(C)C)C1 ZINC000401639922 801836362 /nfs/dbraw/zinc/83/63/62/801836362.db2.gz GQNAJOKMQRTKGO-DZGCQCFKSA-N 1 0 322.453 2.198 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401759244 801849149 /nfs/dbraw/zinc/84/91/49/801849149.db2.gz AYUGFNFJQKPEKJ-FRRDWIJNSA-N 1 0 316.442 2.229 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCC2(CO)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401804344 801852627 /nfs/dbraw/zinc/85/26/27/801852627.db2.gz PIHWKJAKLOVDCZ-KGLIPLIRSA-N 1 0 312.454 2.384 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000401851529 801854708 /nfs/dbraw/zinc/85/47/08/801854708.db2.gz MEQYDJRYDLSMSB-CYBMUJFWSA-N 1 0 306.410 2.244 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000403605126 801955035 /nfs/dbraw/zinc/95/50/35/801955035.db2.gz SPKUWRSNBGLWBK-RKFYDKJMSA-N 1 0 303.493 2.358 10 0 DEAERO Cn1nccc1C[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000404543741 802024314 /nfs/dbraw/zinc/02/43/14/802024314.db2.gz AANFKFAMYBSPPE-UHFFFAOYSA-N 1 0 308.426 2.205 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ncc[nH]2)C12CCC2 ZINC000404593330 802024982 /nfs/dbraw/zinc/02/49/82/802024982.db2.gz YZNCHPNRSKIIIR-VXGBXAGGSA-N 1 0 306.410 2.335 10 0 DEAERO C[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2)N(C)C ZINC000405259807 802045755 /nfs/dbraw/zinc/04/57/55/802045755.db2.gz MOQRENLTRCPJEV-HZSPNIEDSA-N 1 0 311.470 2.362 10 0 DEAERO C=CCOc1ccc(C[NH2+][C@@H]2CCCCNC2=O)cc1OC ZINC000054174237 1078604788 /nfs/dbraw/zinc/60/47/88/1078604788.db2.gz FPBNLWMLYTXVPM-CQSZACIVSA-N 1 0 304.390 2.018 10 0 DEAERO [NH3+]Cc1nc2c(s1)CCN(C(=O)/C=C\c1cccs1)C2 ZINC000710166306 1080981474 /nfs/dbraw/zinc/98/14/74/1080981474.db2.gz JFHXEEJOKWAKBB-ARJAWSKDSA-N 1 0 305.428 2.261 10 0 DEAERO C[C@@H](NS(=O)(=O)CCC(C)(C)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000717980857 1081855047 /nfs/dbraw/zinc/85/50/47/1081855047.db2.gz BETCKNOJLDGILP-CHWSQXEVSA-N 1 0 302.484 2.120 10 0 DEAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)CCC(C)(C)C1CC1 ZINC000717982997 1081854936 /nfs/dbraw/zinc/85/49/36/1081854936.db2.gz KZKVAKBZNBZIGJ-CQSZACIVSA-N 1 0 302.484 2.216 10 0 DEAERO Cc1nn(C)c(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)c1Cl ZINC000720510350 1085266910 /nfs/dbraw/zinc/26/69/10/1085266910.db2.gz KGLZVZNSZIWCMA-AAEUAGOBSA-N 1 0 314.886 2.051 10 0 DEAERO O=C(Nc1cc(Br)ccc1F)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721008610 1085507406 /nfs/dbraw/zinc/50/74/06/1085507406.db2.gz NEXXCOAGADEJDC-PTRXPTGYSA-N 1 0 313.170 2.382 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1[NH3+] ZINC000720834025 1086189619 /nfs/dbraw/zinc/18/96/19/1086189619.db2.gz IMKIADJJWIILFZ-LLVKDONJSA-N 1 0 323.245 2.351 10 0 DEAERO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000700082148 1086309953 /nfs/dbraw/zinc/30/99/53/1086309953.db2.gz AESDFLBIWGZOOJ-XGUBFFRZSA-N 1 0 310.438 2.258 10 0 DEAERO C[C@@H]1CN(C(=O)c2nc(Cl)ccc2Cl)C[C@@]1(C)C[NH3+] ZINC000700285821 1086314199 /nfs/dbraw/zinc/31/41/99/1086314199.db2.gz XYFPCKKWGQFLMR-AMIZOPFISA-N 1 0 302.205 2.445 10 0 DEAERO C=Cn1cc(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)cn1 ZINC000701865193 1086388214 /nfs/dbraw/zinc/38/82/14/1086388214.db2.gz QMLJMHMXHNKZAN-UHFFFAOYSA-N 1 0 318.421 2.473 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc(-c2cscn2)no1 ZINC000702197223 1086414861 /nfs/dbraw/zinc/41/48/61/1086414861.db2.gz BHOWMLXEHLBEHJ-GFCCVEGCSA-N 1 0 315.402 2.325 10 0 DEAERO COC1CCC([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000703814203 1086554780 /nfs/dbraw/zinc/55/47/80/1086554780.db2.gz UPUDQFRBXPLHLS-CPCZMJQVSA-N 1 0 300.399 2.085 10 0 DEAERO CCOC[C@@H]([NH2+]CCS(=O)(=O)C1CCCCC1)C(C)C ZINC000704059232 1086569875 /nfs/dbraw/zinc/56/98/75/1086569875.db2.gz LWSZXWPNTAPJCV-OAHLLOKOSA-N 1 0 305.484 2.385 10 0 DEAERO COC[C@@H](C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000704448185 1086580326 /nfs/dbraw/zinc/58/03/26/1086580326.db2.gz BVYKLBDYINBCJF-GDBMZVCRSA-N 1 0 306.406 2.412 10 0 DEAERO C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)N(C)C ZINC000707938969 1086675270 /nfs/dbraw/zinc/67/52/70/1086675270.db2.gz CWGHFHIXKFGTPH-AJNGGQMLSA-N 1 0 311.470 2.314 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000708848757 1086679170 /nfs/dbraw/zinc/67/91/70/1086679170.db2.gz WDNPARNEOFVYOD-BKVNPXPRSA-N 1 0 314.838 2.167 10 0 DEAERO CO[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000708712168 1086679316 /nfs/dbraw/zinc/67/93/16/1086679316.db2.gz MVWURBKJQWITJL-DDTOSNHZSA-N 1 0 314.223 2.497 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000710968880 1086692251 /nfs/dbraw/zinc/69/22/51/1086692251.db2.gz VJZYOOFKUQMKLQ-DLBZAZTESA-N 1 0 304.434 2.392 10 0 DEAERO COC1(OC)CC[C@@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000710968395 1086692524 /nfs/dbraw/zinc/69/25/24/1086692524.db2.gz SWRJQSGYDACMKW-SJORKVTESA-N 1 0 304.434 2.250 10 0 DEAERO Cn1cc(C[NH2+]C[C@H]2CCC(C)(C)CO2)c(Br)n1 ZINC000711228180 1087025627 /nfs/dbraw/zinc/02/56/27/1087025627.db2.gz VLMMQYOMAJZXCW-LLVKDONJSA-N 1 0 316.243 2.477 10 0 DEAERO Cn1cc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)c(Br)n1 ZINC000711403710 1087088230 /nfs/dbraw/zinc/08/82/30/1087088230.db2.gz SGEZHMNFTXVKJF-NSHDSACASA-N 1 0 314.227 2.374 10 0 DEAERO C[C@@H]1CCC[C@]1(O)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711440493 1087112635 /nfs/dbraw/zinc/11/26/35/1087112635.db2.gz UMONYYWXCKGPQG-WVZRYYJFSA-N 1 0 312.454 2.430 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c(Cl)c1 ZINC000711639475 1087175862 /nfs/dbraw/zinc/17/58/62/1087175862.db2.gz BZNNHBDZDOHJBE-KBPBESRZSA-N 1 0 314.838 2.211 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cnc[nH]3)CCC[C@H]12 ZINC000711623327 1087177367 /nfs/dbraw/zinc/17/73/67/1087177367.db2.gz LFPQGIXHSPHABV-BBRMVZONSA-N 1 0 306.410 2.431 10 0 DEAERO O=C(C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)NCc1ccccc1 ZINC000711911647 1087223717 /nfs/dbraw/zinc/22/37/17/1087223717.db2.gz KKJLNFIXHGAFIO-SJLPKXTDSA-N 1 0 302.418 2.098 10 0 DEAERO C[C@@H]1CC[C@@H](C[NH3+])N(CCCS(=O)(=O)C(C)(C)C)[C@H]1C ZINC000718737040 1088637471 /nfs/dbraw/zinc/63/74/71/1088637471.db2.gz YGSQZWJJVWDHPM-RDBSUJKOSA-N 1 0 304.500 2.038 10 0 DEAERO [NH3+]Cc1nc(CC(=O)Nc2nc3c(s2)CCCC3)cs1 ZINC000719033707 1088767850 /nfs/dbraw/zinc/76/78/50/1088767850.db2.gz DZWYPZZZSVYWLQ-UHFFFAOYSA-N 1 0 308.432 2.118 10 0 DEAERO Cc1nc(C[NH2+]C[C@@H]2CCC[C@H]2O)sc1Br ZINC000719274433 1088919425 /nfs/dbraw/zinc/91/94/25/1088919425.db2.gz OSFMEQHUGWPMPU-DTWKUNHWSA-N 1 0 305.241 2.465 10 0 DEAERO CO[C@@]1(C[NH2+]C[C@H](O)c2c(F)cccc2F)CCSC1 ZINC000719323609 1088953127 /nfs/dbraw/zinc/95/31/27/1088953127.db2.gz KUAULRBHWFNBLA-GXTWGEPZSA-N 1 0 303.374 2.110 10 0 DEAERO CCn1cc(Br)cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000719383953 1089076901 /nfs/dbraw/zinc/07/69/01/1089076901.db2.gz AMSBSUANHLGKIO-ONGXEEELSA-N 1 0 314.227 2.093 10 0 DEAERO COC[C@H](CO)[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719541224 1089288553 /nfs/dbraw/zinc/28/85/53/1089288553.db2.gz XKNRBNFYBDVDJH-LBPRGKRZSA-N 1 0 302.212 2.163 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC000719546817 1089289008 /nfs/dbraw/zinc/28/90/08/1089289008.db2.gz GHADIUUUKQXYDH-LLVKDONJSA-N 1 0 314.476 2.079 10 0 DEAERO C[NH2+]CCCCc1nc(-c2cncc(Br)c2)no1 ZINC000719701398 1089343531 /nfs/dbraw/zinc/34/35/31/1089343531.db2.gz SPMDCVSJLXXIHX-UHFFFAOYSA-N 1 0 311.183 2.436 10 0 DEAERO Cc1nc(C[NH2+]CCc2cn[nH]c2)sc1Br ZINC000719225943 1091955724 /nfs/dbraw/zinc/95/57/24/1091955724.db2.gz ZRTHMLNTNDISKD-UHFFFAOYSA-N 1 0 301.213 2.269 10 0 DEAERO [NH3+][C@H]1CN(C(=O)c2ccc(Cl)nc2)CC[C@@H]1C(F)(F)F ZINC000717056233 1092517866 /nfs/dbraw/zinc/51/78/66/1092517866.db2.gz AVZKEEQQBDZTKX-IUCAKERBSA-N 1 0 307.703 2.087 10 0 DEAERO Brc1ccc(-c2noc(CC3C[NH2+]C3)n2)s1 ZINC000081767779 192321351 /nfs/dbraw/zinc/32/13/51/192321351.db2.gz PTKVTPCLAQKHAB-UHFFFAOYSA-N 1 0 300.181 2.323 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000076856329 185047233 /nfs/dbraw/zinc/04/72/33/185047233.db2.gz FDZMYKSGOQJCDK-MRXNPFEDSA-N 1 0 319.449 2.095 10 0 DEAERO CCOc1ccc2[nH]c(S[C@H]3COCC[C@@H]3[NH2+]C)nc2c1 ZINC000081839886 192330292 /nfs/dbraw/zinc/33/02/92/192330292.db2.gz XBXGILFORYIIKK-JSGCOSHPSA-N 1 0 307.419 2.431 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2CCC[C@H]1Sc1nnnn1C ZINC000081845652 192331337 /nfs/dbraw/zinc/33/13/37/192331337.db2.gz HACXHFBYJBHYGX-ZIAGYGMSSA-N 1 0 303.435 2.358 10 0 DEAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1Sc1nncn1C ZINC000081867078 192332695 /nfs/dbraw/zinc/33/26/95/192332695.db2.gz LGPYSURRWQUSSQ-ZIAGYGMSSA-N 1 0 304.419 2.191 10 0 DEAERO CCC[NH2+][C@H](CSc1n[nH]c(=O)n1CCC)C(C)(C)C ZINC000081879209 192332796 /nfs/dbraw/zinc/33/27/96/192332796.db2.gz SJYQDBAMPCTLCU-LLVKDONJSA-N 1 0 300.472 2.488 10 0 DEAERO CCC[C@H](C(=O)Nc1cccc(N2CCCNC2=O)c1)[NH+](C)C ZINC000162335428 197560424 /nfs/dbraw/zinc/56/04/24/197560424.db2.gz FUTKUOFYDYMLBB-OAHLLOKOSA-N 1 0 318.421 2.275 10 0 DEAERO COc1cccc(S(=O)(=O)C[C@@H]([NH3+])c2ccc(C)cc2)c1 ZINC000081923357 192339821 /nfs/dbraw/zinc/33/98/21/192339821.db2.gz YLEGIXSYSPCQPP-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO CC[NH2+][C@H](C)[C@@H](C)c1c(Br)cnn1CCOC ZINC000162958084 197603136 /nfs/dbraw/zinc/60/31/36/197603136.db2.gz DTKWQRRYDJNEJP-NXEZZACHSA-N 1 0 304.232 2.394 10 0 DEAERO CC[NH2+]CCCNCc1csc(I)c1 ZINC000163342998 197624892 /nfs/dbraw/zinc/62/48/92/197624892.db2.gz LDUITMZABXSPFJ-UHFFFAOYSA-N 1 0 324.231 2.442 10 0 DEAERO Cc1nccn1CC[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000077121686 185110364 /nfs/dbraw/zinc/11/03/64/185110364.db2.gz GTEYWRJBSOAQNT-UHFFFAOYSA-N 1 0 302.397 2.148 10 0 DEAERO CCC[NH2+]CCCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936259 192342323 /nfs/dbraw/zinc/34/23/23/192342323.db2.gz KIFGFSKBTOEIFN-UHFFFAOYSA-N 1 0 313.419 2.011 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000189053129 529388088 /nfs/dbraw/zinc/38/80/88/529388088.db2.gz AICVKTFESDDQIK-CQSZACIVSA-N 1 0 300.805 2.368 10 0 DEAERO COc1cc(NC(=O)[C@@H](C)C2C[NH2+]C2)ccc1Br ZINC000164729705 197662672 /nfs/dbraw/zinc/66/26/72/197662672.db2.gz OFOLCEPIOLDJBL-QMMMGPOBSA-N 1 0 313.195 2.252 10 0 DEAERO COC(=O)[C@@](C)([NH3+])CCSc1ncccc1Br ZINC000079447041 185172070 /nfs/dbraw/zinc/17/20/70/185172070.db2.gz KHKNAPUFHMLTSW-NSHDSACASA-N 1 0 319.224 2.217 10 0 DEAERO CC[NH2+][C@@](C)(CCCSc1ncccc1Cl)C(N)=O ZINC000079448999 185172213 /nfs/dbraw/zinc/17/22/13/185172213.db2.gz PEOFCGQKCZQVHD-ZDUSSCGKSA-N 1 0 301.843 2.461 10 0 DEAERO CC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081946437 192345677 /nfs/dbraw/zinc/34/56/77/192345677.db2.gz YIJANIVFGXWEOL-QWHCGFSZSA-N 1 0 321.801 2.020 10 0 DEAERO CCc1noc(CC)c1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000153038945 282160347 /nfs/dbraw/zinc/16/03/47/282160347.db2.gz WMHMQVWEUIKXJE-CHWSQXEVSA-N 1 0 307.438 2.283 10 0 DEAERO [NH3+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)c1cc(F)ccc1F ZINC000081945725 192346064 /nfs/dbraw/zinc/34/60/64/192346064.db2.gz GPTFMORDCJHJOO-HUUCEWRRSA-N 1 0 309.337 2.363 10 0 DEAERO C[C@H](C[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl)[S@](C)=O ZINC000165235186 197673065 /nfs/dbraw/zinc/67/30/65/197673065.db2.gz JLHQNHCDSTWILU-XFGRJSRNSA-N 1 0 310.246 2.383 10 0 DEAERO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cccn2C)cn1 ZINC000328651124 231286729 /nfs/dbraw/zinc/28/67/29/231286729.db2.gz VWBPXTCDFADNIG-ZBFHGGJFSA-N 1 0 301.394 2.191 10 0 DEAERO COC(=O)CCC[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083402870 185222006 /nfs/dbraw/zinc/22/20/06/185222006.db2.gz AEZPVVBQFXTHAV-ZDUSSCGKSA-N 1 0 307.390 2.446 10 0 DEAERO O=C(C[C@H]1CCCCC(=O)N1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000328681153 231305225 /nfs/dbraw/zinc/30/52/25/231305225.db2.gz UYIDTHSYOOMTHX-CABCVRRESA-N 1 0 307.438 2.362 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)C1=Cc2cc(OC)ccc2OC1 ZINC000087356535 185222546 /nfs/dbraw/zinc/22/25/46/185222546.db2.gz PEEOQJIJSLGJDA-ZDUSSCGKSA-N 1 0 318.417 2.318 10 0 DEAERO CCc1noc(CC)c1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000087402588 185223610 /nfs/dbraw/zinc/22/36/10/185223610.db2.gz URMOSXNMMAYQFQ-AGUYFDCRSA-N 1 0 319.449 2.473 10 0 DEAERO CC(C)[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000087404596 185223719 /nfs/dbraw/zinc/22/37/19/185223719.db2.gz LGKFKJCJRRUXTD-NSHDSACASA-N 1 0 311.234 2.255 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000087516366 185227466 /nfs/dbraw/zinc/22/74/66/185227466.db2.gz AXPMKZZEXTXHSV-JTQLQIEISA-N 1 0 311.813 2.355 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000087524374 185227803 /nfs/dbraw/zinc/22/78/03/185227803.db2.gz MZDORMVPZOUWFR-NSHDSACASA-N 1 0 315.870 2.031 10 0 DEAERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195248816 529509649 /nfs/dbraw/zinc/50/96/49/529509649.db2.gz BZZNONVLNOCKJY-GDBMZVCRSA-N 1 0 311.495 2.366 10 0 DEAERO CC[C@H](C[NH3+])C(=O)Nc1cc(Br)ccc1OC ZINC000087533258 185228254 /nfs/dbraw/zinc/22/82/54/185228254.db2.gz LITJPMZCQGOOEZ-MRVPVSSYSA-N 1 0 301.184 2.381 10 0 DEAERO CC(C)(CC[NH3+])CCC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000087683467 185230456 /nfs/dbraw/zinc/23/04/56/185230456.db2.gz GYROADGMLVGFIN-UHFFFAOYSA-N 1 0 312.435 2.184 10 0 DEAERO CCOC(=O)CN(CC(C)C)C(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087696156 185230634 /nfs/dbraw/zinc/23/06/34/185230634.db2.gz WMFBJULZSXDQJX-UONOGXRCSA-N 1 0 300.443 2.188 10 0 DEAERO C[C@H](C[NH3+])C[S@@](=O)Cc1cc(Br)ccc1F ZINC000088089803 185239550 /nfs/dbraw/zinc/23/95/50/185239550.db2.gz HASAOONSLVMPBR-BCTVWOGZSA-N 1 0 308.216 2.432 10 0 DEAERO COc1ccc(C[C@@]2(C[NH3+])CCC[C@@H]2O)cc1Br ZINC000087931853 185237520 /nfs/dbraw/zinc/23/75/20/185237520.db2.gz IUEKBQCTFDGMNW-UONOGXRCSA-N 1 0 314.223 2.490 10 0 DEAERO Ic1cnn([C@H]2CC[C@H]2C[NH2+]C2CC2)c1 ZINC000087923954 185237582 /nfs/dbraw/zinc/23/75/82/185237582.db2.gz BJHJUKMRJXPKHU-KWQFWETISA-N 1 0 317.174 2.191 10 0 DEAERO COc1ccc(C[S@@](=O)[C@H](C)C[NH3+])cc1Br ZINC000088067956 185238542 /nfs/dbraw/zinc/23/85/42/185238542.db2.gz DGPOCHQRDHXTKR-BCTVWOGZSA-N 1 0 306.225 2.054 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc2nc(N)sc2c1 ZINC000087847660 185233354 /nfs/dbraw/zinc/23/33/54/185233354.db2.gz QNVFJSNJZIREQE-LLVKDONJSA-N 1 0 304.419 2.045 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc2nc(N)sc2c1 ZINC000087847491 185233477 /nfs/dbraw/zinc/23/34/77/185233477.db2.gz PZNFJNCJTMKCHW-JTQLQIEISA-N 1 0 304.419 2.093 10 0 DEAERO CCC(CC)c1cc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)on1 ZINC000174354757 282193529 /nfs/dbraw/zinc/19/35/29/282193529.db2.gz MKZHYQWOJCDISX-ZDUSSCGKSA-N 1 0 308.426 2.472 10 0 DEAERO C[C@H](C[NH3+])C[S@@](=O)Cc1ccc(Br)cc1F ZINC000088089823 185239620 /nfs/dbraw/zinc/23/96/20/185239620.db2.gz UXMUKGUREDYOGO-BCTVWOGZSA-N 1 0 308.216 2.432 10 0 DEAERO CN(C(=O)c1ccc(Br)c(Cl)c1)C1C[NH2+]C1 ZINC000088126086 185240113 /nfs/dbraw/zinc/24/01/13/185240113.db2.gz WBPAWEUJBNXKSA-UHFFFAOYSA-N 1 0 303.587 2.146 10 0 DEAERO [NH3+]Cc1cn(-c2c3nsnc3c(Cl)cc2Cl)nn1 ZINC000088127531 185240216 /nfs/dbraw/zinc/24/02/16/185240216.db2.gz DYGNHPMCPOYMSA-UHFFFAOYSA-N 1 0 301.162 2.038 10 0 DEAERO C[C@H](C[NH3+])S(=O)(=O)NC(c1ccccc1)c1ccccc1 ZINC000088472429 185252157 /nfs/dbraw/zinc/25/21/57/185252157.db2.gz HEQGFRLPRZRJQZ-CYBMUJFWSA-N 1 0 304.415 2.043 10 0 DEAERO CC[C@H](C[NH3+])S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000088474009 185252398 /nfs/dbraw/zinc/25/23/98/185252398.db2.gz XIHWXOFIOOYNED-MRVPVSSYSA-N 1 0 314.304 2.324 10 0 DEAERO CCCN[C@](C)(C[NH+]1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000088435576 185250406 /nfs/dbraw/zinc/25/04/06/185250406.db2.gz RJMRJWZGDQOCTI-CYBMUJFWSA-N 1 0 310.360 2.192 10 0 DEAERO CCN[C@@H](CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OCC ZINC000088435368 185250556 /nfs/dbraw/zinc/25/05/56/185250556.db2.gz HZGNKXFECDVTET-RYUDHWBXSA-N 1 0 310.360 2.192 10 0 DEAERO CC[NH2+][C@@](CO)(CN(C)CCC(F)(F)F)c1ccccc1 ZINC000088439527 185250768 /nfs/dbraw/zinc/25/07/68/185250768.db2.gz VIBAWSFVNIEDJP-CQSZACIVSA-N 1 0 304.356 2.368 10 0 DEAERO CC[C@@H](CC[NH3+])CCC(=O)Nc1cnc(Br)cn1 ZINC000088446402 185251300 /nfs/dbraw/zinc/25/13/00/185251300.db2.gz GEGMWKYLXIFHLM-SECBINFHSA-N 1 0 315.215 2.333 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C)o1 ZINC000088543988 185256908 /nfs/dbraw/zinc/25/69/08/185256908.db2.gz PSYWCXGTPFTSOK-RYUDHWBXSA-N 1 0 300.424 2.198 10 0 DEAERO CSC[C@H](C)CNS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088551153 185257501 /nfs/dbraw/zinc/25/75/01/185257501.db2.gz NJASQZFPCJTXFU-LLVKDONJSA-N 1 0 320.480 2.055 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC(C(C)(C)C)CC2)o1 ZINC000088544010 185256666 /nfs/dbraw/zinc/25/66/66/185256666.db2.gz DCPGOWXIMGHHKS-UHFFFAOYSA-N 1 0 314.451 2.446 10 0 DEAERO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000088704646 185262727 /nfs/dbraw/zinc/26/27/27/185262727.db2.gz JEWOBFPBHHBWCK-RYUDHWBXSA-N 1 0 305.447 2.380 10 0 DEAERO CC[NH2+]Cc1ncnn1Cc1cc(Br)ccc1F ZINC000088628788 185260435 /nfs/dbraw/zinc/26/04/35/185260435.db2.gz ZMTUQGBRDQTJLO-UHFFFAOYSA-N 1 0 313.174 2.338 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2sc3ccc(F)cc3c2N)C1 ZINC000088643365 185261232 /nfs/dbraw/zinc/26/12/32/185261232.db2.gz IEIWVRKVLOVGMI-JTQLQIEISA-N 1 0 307.394 2.399 10 0 DEAERO CCOC(=O)[C@@H]1C[NH2+]CCN1c1ccc(C(F)(F)F)cc1 ZINC000088673253 185262160 /nfs/dbraw/zinc/26/21/60/185262160.db2.gz HHUHFGUUSHYDJA-LBPRGKRZSA-N 1 0 302.296 2.047 10 0 DEAERO CC(C)(C)[NH2+]CCCc1nnc(C(C)(C)S(C)(=O)=O)s1 ZINC000088812988 185266359 /nfs/dbraw/zinc/26/63/59/185266359.db2.gz PTYMQIHPTYFFDH-UHFFFAOYSA-N 1 0 319.496 2.139 10 0 DEAERO CCC[C@H](C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000179148314 282216178 /nfs/dbraw/zinc/21/61/78/282216178.db2.gz WSPRYLBDFAPRLW-QWHCGFSZSA-N 1 0 315.458 2.136 10 0 DEAERO CCO[C@@H]1[C@H]([NH3+])C[C@@H]1Oc1cc(Br)ccc1F ZINC000165876284 197683780 /nfs/dbraw/zinc/68/37/80/197683780.db2.gz RIDBFXLCCDKFAC-ADEWGFFLSA-N 1 0 304.159 2.472 10 0 DEAERO CCC[NH2+][C@H]1CCCCC[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081990250 192351130 /nfs/dbraw/zinc/35/11/30/192351130.db2.gz YQRZSKFKFIXWQW-GJZGRUSLSA-N 1 0 303.468 2.281 10 0 DEAERO CCC[NH2+][C@H]1CCCCCC[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000082009578 192353094 /nfs/dbraw/zinc/35/30/94/192353094.db2.gz YWFNZIMKAKUABU-KBPBESRZSA-N 1 0 319.467 2.055 10 0 DEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000090272070 185288656 /nfs/dbraw/zinc/28/86/56/185288656.db2.gz RUAXJAQCQFDRNC-ZBFHGGJFSA-N 1 0 315.841 2.466 10 0 DEAERO CCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000090291706 185289703 /nfs/dbraw/zinc/28/97/03/185289703.db2.gz DXXXQJGJDIYJLU-UHFFFAOYSA-N 1 0 302.205 2.226 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000090293262 185289796 /nfs/dbraw/zinc/28/97/96/185289796.db2.gz YQUNFTODOQDOSU-VQHVLOKHSA-N 1 0 314.838 2.324 10 0 DEAERO Cc1c(Br)cccc1C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000090325625 185291155 /nfs/dbraw/zinc/29/11/55/185291155.db2.gz MOPVOMWRKAYYEI-GMXVVIOVSA-N 1 0 323.234 2.437 10 0 DEAERO CCCSc1nsc(NC(=O)CSC[C@@H](C)C[NH3+])n1 ZINC000090350334 185292079 /nfs/dbraw/zinc/29/20/79/185292079.db2.gz MKUQOPWVZJNQOQ-QMMMGPOBSA-N 1 0 320.509 2.307 10 0 DEAERO C[C@@H](CC[NH3+])SCC(=O)NC(=O)c1ccccc1Cl ZINC000090355074 185292458 /nfs/dbraw/zinc/29/24/58/185292458.db2.gz UELIFXXYGVMUJX-VIFPVBQESA-N 1 0 300.811 2.067 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000090364623 185292747 /nfs/dbraw/zinc/29/27/47/185292747.db2.gz OXVMHKTZXOFAGF-LDYMZIIASA-N 1 0 314.172 2.408 10 0 DEAERO C[C@H](NC(=O)[C@H]1COC[C@@H]1[NH3+])c1ccc(Cl)cc1Cl ZINC000090379050 185293496 /nfs/dbraw/zinc/29/34/96/185293496.db2.gz WEQLBFFFCJLTBF-JWYUURKGSA-N 1 0 303.189 2.144 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000090379215 185293568 /nfs/dbraw/zinc/29/35/68/185293568.db2.gz IKFPSKSMKGYSNV-IONNQARKSA-N 1 0 319.586 2.015 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000090380643 185293739 /nfs/dbraw/zinc/29/37/39/185293739.db2.gz DRWJISGHBCHLDN-VHSXEESVSA-N 1 0 306.309 2.211 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000090433703 185296273 /nfs/dbraw/zinc/29/62/73/185296273.db2.gz XIMDZKXHXLGCAQ-WCQYABFASA-N 1 0 312.797 2.300 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1CN(C)Cc1ccc(Br)cc1 ZINC000090438769 185296622 /nfs/dbraw/zinc/29/66/22/185296622.db2.gz DIENTRPRFSQUPT-GXTWGEPZSA-N 1 0 313.239 2.115 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1CN(C)Cc1cccc(Br)c1 ZINC000090438776 185296713 /nfs/dbraw/zinc/29/67/13/185296713.db2.gz KAFPWTDLBRROKE-OCCSQVGLSA-N 1 0 313.239 2.115 10 0 DEAERO C[C@@]1(C(=O)Nc2cc(C(F)(F)F)ccc2F)COC[C@@H]1[NH3+] ZINC000090603846 185306139 /nfs/dbraw/zinc/30/61/39/185306139.db2.gz CCIWZXJILSMFFM-CMPLNLGQSA-N 1 0 306.259 2.147 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000090539606 185301558 /nfs/dbraw/zinc/30/15/58/185301558.db2.gz WRMPYEAVMQVUDA-ZWNOBZJWSA-N 1 0 300.761 2.432 10 0 DEAERO C[C@@]1(c2nc(-c3cccc(Br)c3)no2)COC[C@H]1[NH3+] ZINC000090573278 185304328 /nfs/dbraw/zinc/30/43/28/185304328.db2.gz ASBOYPHYQXASTQ-ZWNOBZJWSA-N 1 0 324.178 2.114 10 0 DEAERO CN(C)c1ccc(C(=O)N2CCCSC[C@@H]2C[NH+](C)C)cc1 ZINC000090700133 185310504 /nfs/dbraw/zinc/31/05/04/185310504.db2.gz KOBGYZMZUNODIG-INIZCTEOSA-N 1 0 321.490 2.262 10 0 DEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)NCc1cccs1 ZINC000090700239 185310521 /nfs/dbraw/zinc/31/05/21/185310521.db2.gz WYJCUFJUIOMLPJ-LBPRGKRZSA-N 1 0 313.492 2.327 10 0 DEAERO CC(C)[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000092393771 185315478 /nfs/dbraw/zinc/31/54/78/185315478.db2.gz DZBPJOLCQFUJIH-MCIONIFRSA-N 1 0 300.443 2.286 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](Sc1nnc(C)n1C)CC2 ZINC000092389959 185315528 /nfs/dbraw/zinc/31/55/28/185315528.db2.gz MNMVNYMVEUWXGV-KBPBESRZSA-N 1 0 304.419 2.239 10 0 DEAERO Cc1ccc(F)c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000179890532 282233739 /nfs/dbraw/zinc/23/37/39/282233739.db2.gz XNSKURQADJKCIX-HNNXBMFYSA-N 1 0 320.408 2.205 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)n1cnc(C(=O)OC)n1 ZINC000167341562 197706853 /nfs/dbraw/zinc/70/68/53/197706853.db2.gz UCSJWDPBYVFCGV-NWDGAFQWSA-N 1 0 308.769 2.045 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nnc(C(F)F)s1 ZINC000092598960 185328534 /nfs/dbraw/zinc/32/85/34/185328534.db2.gz INNBNZTXHOBOJN-HTQZYQBOSA-N 1 0 317.365 2.176 10 0 DEAERO CC[NH2+][C@@H](Cc1cncc(Br)c1)c1cnn(C)c1 ZINC000167748134 197713217 /nfs/dbraw/zinc/71/32/17/197713217.db2.gz QOEIHIQPYIWMRL-ZDUSSCGKSA-N 1 0 309.211 2.471 10 0 DEAERO Cc1cc2c(cc1C)[C@H](C(=O)N1CC[N@@H+]3CCCC[C@@H]3C1)CO2 ZINC000185408255 282262189 /nfs/dbraw/zinc/26/21/89/282262189.db2.gz NXYJFSAJFUXZGU-NVXWUHKLSA-N 1 0 314.429 2.476 10 0 DEAERO Cc1oc(C[NH3+])cc1S(=O)(=O)NCC1C(C)(C)C1(C)C ZINC000092833162 185344939 /nfs/dbraw/zinc/34/49/39/185344939.db2.gz YIYGJQIKPSTATE-UHFFFAOYSA-N 1 0 300.424 2.007 10 0 DEAERO CC1(C)C(NS(=O)(=O)c2ccc(CCC[NH3+])cc2)C1(C)C ZINC000092833280 185345010 /nfs/dbraw/zinc/34/50/10/185345010.db2.gz CYSKRTCKJQIJRK-UHFFFAOYSA-N 1 0 310.463 2.291 10 0 DEAERO CCC[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)CCC ZINC000092859195 185346868 /nfs/dbraw/zinc/34/68/68/185346868.db2.gz FUWYQYMBAPHRPR-CVEARBPZSA-N 1 0 311.447 2.485 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](CCC(=O)OCc3ccccc3)C2)cn1 ZINC000181460472 199299626 /nfs/dbraw/zinc/29/96/26/199299626.db2.gz HZIMCUFEYUCJFI-INIZCTEOSA-N 1 0 313.401 2.343 10 0 DEAERO COc1cccc(NC(=O)C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c1 ZINC000188003717 282295792 /nfs/dbraw/zinc/29/57/92/282295792.db2.gz GFIDVYFXPAEOOR-DYVFJYSZSA-N 1 0 306.406 2.117 10 0 DEAERO O=C1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)N1 ZINC000079927439 539376211 /nfs/dbraw/zinc/37/62/11/539376211.db2.gz NXIHIGZWDGKLRZ-JTQLQIEISA-N 1 0 304.724 2.310 10 0 DEAERO Cn1cc([C@H]2[C@H](C[N@H+](C)CCOCC3CC3)CCCN2C)cn1 ZINC000328622014 529922327 /nfs/dbraw/zinc/92/23/27/529922327.db2.gz AWOGQNSWSBJZGJ-FUHWJXTLSA-N 1 0 320.481 2.161 10 0 DEAERO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H](C)C[NH3+])cc1Cl ZINC000183172098 199548863 /nfs/dbraw/zinc/54/88/63/199548863.db2.gz NULLJWVREVNJAT-SSDOTTSWSA-N 1 0 311.234 2.270 10 0 DEAERO CO[C@@H]1CN(C(=O)NCCC[NH+]2CCC(C)CC2)CC[C@H]1C ZINC000190487155 282321650 /nfs/dbraw/zinc/32/16/50/282321650.db2.gz VPYYNQQUTRPARU-HZPDHXFCSA-N 1 0 311.470 2.175 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1COc2ccccc2C1 ZINC000046279813 190674993 /nfs/dbraw/zinc/67/49/93/190674993.db2.gz HTMDTYRKMWXLCY-UKRRQHHQSA-N 1 0 305.422 2.020 10 0 DEAERO CC(C)[C@@H]1C[C@H](NC(=O)N2CCC([NH2+]CC3CC3)CC2)CCO1 ZINC000333580362 282963067 /nfs/dbraw/zinc/96/30/67/282963067.db2.gz NPFRXNBYLACCGN-SJORKVTESA-N 1 0 323.481 2.364 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@H]3CCCCNC3=O)CC[C@H]21 ZINC000328877157 530058324 /nfs/dbraw/zinc/05/83/24/530058324.db2.gz TUCZJKHVPNBZMN-RBSFLKMASA-N 1 0 307.438 2.076 10 0 DEAERO Cc1cccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)n1 ZINC000193797363 282357618 /nfs/dbraw/zinc/35/76/18/282357618.db2.gz GPDDPGPILOADGM-UHFFFAOYSA-N 1 0 302.422 2.064 10 0 DEAERO CC(C)[C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305108078 534969750 /nfs/dbraw/zinc/96/97/50/534969750.db2.gz BZTMNZUJQACBHF-CWRNSKLLSA-N 1 0 311.470 2.098 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457439 539411996 /nfs/dbraw/zinc/41/19/96/539411996.db2.gz PHYKPZYMSHYIFO-ONGXEEELSA-N 1 0 315.211 2.376 10 0 DEAERO CC(C)c1nnc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1C ZINC000253623464 534971891 /nfs/dbraw/zinc/97/18/91/534971891.db2.gz VNLYSICDSSFNHP-RBSFLKMASA-N 1 0 306.454 2.454 10 0 DEAERO CN(Cc1ccc(Br)cc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089743810 539413188 /nfs/dbraw/zinc/41/31/88/539413188.db2.gz IVELLDALOOYYGA-GFCCVEGCSA-N 1 0 311.223 2.407 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000245433269 282387580 /nfs/dbraw/zinc/38/75/80/282387580.db2.gz PPYAEDQETQAKKR-GDBMZVCRSA-N 1 0 306.381 2.072 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000245511155 282394160 /nfs/dbraw/zinc/39/41/60/282394160.db2.gz XQHABBHFPDSIIJ-YXWQFLTLSA-N 1 0 311.470 2.314 10 0 DEAERO CN(Cc1ccc(F)cc1Br)C[C@@H]1C[NH2+]CCO1 ZINC000126874135 539479523 /nfs/dbraw/zinc/47/95/23/539479523.db2.gz QGLBKAUAAGTUKJ-LBPRGKRZSA-N 1 0 317.202 2.008 10 0 DEAERO CC(C)(C)c1ccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)s1 ZINC000127183218 539481006 /nfs/dbraw/zinc/48/10/06/539481006.db2.gz JJTFSGSLQSFDBH-UHFFFAOYSA-N 1 0 318.508 2.463 10 0 DEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccc(Br)cc1 ZINC000111271538 185570126 /nfs/dbraw/zinc/57/01/26/185570126.db2.gz UHQPISRZKMXGIO-OUJBWJOFSA-N 1 0 311.223 2.482 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1csc(Br)c1 ZINC000111271921 185570605 /nfs/dbraw/zinc/57/06/05/185570605.db2.gz VBNKGNRPOHHEBI-WPRPVWTQSA-N 1 0 317.252 2.325 10 0 DEAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC[C@@H]1CCCO1 ZINC000129940559 539492877 /nfs/dbraw/zinc/49/28/77/539492877.db2.gz JCYKXAIYUARLHN-NSHDSACASA-N 1 0 317.838 2.402 10 0 DEAERO [NH3+][C@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC1 ZINC000111379616 185590699 /nfs/dbraw/zinc/59/06/99/185590699.db2.gz AVCSCGWAFZSJNB-LLVKDONJSA-N 1 0 308.325 2.129 10 0 DEAERO C[C@H]([NH3+])Cc1c(N(C)Cc2cscn2)nc2ccccn21 ZINC000111501624 185610143 /nfs/dbraw/zinc/61/01/43/185610143.db2.gz CKWGOOSUBFCJSU-NSHDSACASA-N 1 0 301.419 2.317 10 0 DEAERO CCCS(=O)(=O)c1ccccc1N1CCC([C@H](C)[NH3+])CC1 ZINC000111612693 185617652 /nfs/dbraw/zinc/61/76/52/185617652.db2.gz NNVZGFUGVVXISL-ZDUSSCGKSA-N 1 0 310.463 2.434 10 0 DEAERO CC(C)(C[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)NS(C)(=O)=O ZINC000111772494 185634825 /nfs/dbraw/zinc/63/48/25/185634825.db2.gz AGQYGYILEXAXNJ-MJBXVCDLSA-N 1 0 302.484 2.263 10 0 DEAERO CCc1cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1C ZINC000181969094 199368802 /nfs/dbraw/zinc/36/88/02/199368802.db2.gz LQKUNWCUFZJSFC-HUUCEWRRSA-N 1 0 319.449 2.476 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCN1CCO[C@@H](C)C1 ZINC000247075872 282476694 /nfs/dbraw/zinc/47/66/94/282476694.db2.gz QMFLXJPXGXEYLN-UONOGXRCSA-N 1 0 308.470 2.318 10 0 DEAERO COc1ccc([C@H]2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000333814106 282970750 /nfs/dbraw/zinc/97/07/50/282970750.db2.gz JUYIPIBYIPQWCR-HOTGVXAUSA-N 1 0 317.433 2.336 10 0 DEAERO CC(=O)[C@H](C)CCCCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000155079989 539556618 /nfs/dbraw/zinc/55/66/18/539556618.db2.gz DBMITFBAFWUFMQ-CYBMUJFWSA-N 1 0 308.426 2.169 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000248879228 282535408 /nfs/dbraw/zinc/53/54/08/282535408.db2.gz RWAJERALHRTZCC-DAXOMENPSA-N 1 0 308.397 2.217 10 0 DEAERO [NH3+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccc(Br)s1 ZINC000069798386 190818882 /nfs/dbraw/zinc/81/88/82/190818882.db2.gz RHWWWRAGILJLKN-RDDDGLTNSA-N 1 0 301.209 2.274 10 0 DEAERO c1ccc(-n2nnnc2CC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000625775873 365896890 /nfs/dbraw/zinc/89/68/90/365896890.db2.gz WVNASHWNLGTYBY-CABCVRRESA-N 1 0 315.446 2.175 10 0 DEAERO CN(C[C@H]1CCCO1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176032828 282559484 /nfs/dbraw/zinc/55/94/84/282559484.db2.gz CRDHBNQHPVJVIJ-MRXNPFEDSA-N 1 0 309.454 2.214 10 0 DEAERO O[C@@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000070121431 190859460 /nfs/dbraw/zinc/85/94/60/190859460.db2.gz LGINSBDTWNEUOS-NXEZZACHSA-N 1 0 315.213 2.436 10 0 DEAERO OCC1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000167169520 539610631 /nfs/dbraw/zinc/61/06/31/539610631.db2.gz IIZVCKSMZIVZLO-SNVBAGLBSA-N 1 0 320.216 2.095 10 0 DEAERO COCCN1C(=O)CCC[C@H]([NH3+])[C@H]1c1ccc(SC)cc1 ZINC000070296663 190878573 /nfs/dbraw/zinc/87/85/73/190878573.db2.gz GAUHHBAHHRFMMT-GOEBONIOSA-N 1 0 308.447 2.436 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616676621 362908759 /nfs/dbraw/zinc/90/87/59/362908759.db2.gz XYXVSEHBPMGREF-CYBMUJFWSA-N 1 0 305.422 2.464 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](c2cnno2)C1 ZINC000616628484 362900586 /nfs/dbraw/zinc/90/05/86/362900586.db2.gz LUOCCOLFBNFUKU-GFCCVEGCSA-N 1 0 310.398 2.164 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000175400046 539623836 /nfs/dbraw/zinc/62/38/36/539623836.db2.gz IRTAMNZIKFKUCV-WFASDCNBSA-N 1 0 315.417 2.105 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cnn(C(C)(C)C)c2)[C@@H](C)C1 ZINC000180955952 539648349 /nfs/dbraw/zinc/64/83/49/539648349.db2.gz QTMKZHRKHJWDNW-JSGCOSHPSA-N 1 0 307.442 2.488 10 0 DEAERO [NH3+][C@@H]1CCCN(c2cc(-c3nc(-c4ccncc4)no3)ccn2)C1 ZINC000070458241 190896977 /nfs/dbraw/zinc/89/69/77/190896977.db2.gz OBZZZDXXYNSVLG-CQSZACIVSA-N 1 0 322.372 2.121 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)N2CCOCC2)C12CCCCC2 ZINC000181438315 539651904 /nfs/dbraw/zinc/65/19/04/539651904.db2.gz YLLGZWPMNPFVLS-IXDOHACOSA-N 1 0 310.482 2.425 10 0 DEAERO OCC[C@]1(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CCOC1 ZINC000182122685 539654973 /nfs/dbraw/zinc/65/49/73/539654973.db2.gz KTSGUZIPCCLMJK-NVXWUHKLSA-N 1 0 309.381 2.418 10 0 DEAERO C[C@H](CC[NH+](C)C)NCc1c(Cl)cccc1S(C)(=O)=O ZINC000129952074 185924174 /nfs/dbraw/zinc/92/41/74/185924174.db2.gz IOLGJSDVTZPKSL-LLVKDONJSA-N 1 0 318.870 2.173 10 0 DEAERO C[C@H](CCNC(=O)NC[C@@H]1CCCC[C@@H]1O)[NH+]1CCCCC1 ZINC000182703674 539658021 /nfs/dbraw/zinc/65/80/21/539658021.db2.gz XCLPDAAORIXYSY-PMPSAXMXSA-N 1 0 311.470 2.101 10 0 DEAERO Cn1ccnc1[C@@H]([NH2+]CCOc1ccc2c(c1)OCO2)C1CC1 ZINC000183254523 539660983 /nfs/dbraw/zinc/66/09/83/539660983.db2.gz MZNYLBVBZKYIIO-INIZCTEOSA-N 1 0 315.373 2.269 10 0 DEAERO C[C@@H]1C[N@H+](Cc2cccc3cnccc32)C[C@@H]1N1CCOCC1 ZINC000183397419 539661719 /nfs/dbraw/zinc/66/17/19/539661719.db2.gz MPZQLQFGTZALJK-BEFAXECRSA-N 1 0 311.429 2.387 10 0 DEAERO Nc1c[nH+]c2ccc(Br)cc2c1NCc1nc[nH]n1 ZINC000080570020 192168766 /nfs/dbraw/zinc/16/87/66/192168766.db2.gz NETXOVGWMNMQRR-UHFFFAOYSA-N 1 0 319.166 2.310 10 0 DEAERO CCCCNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190676779 539696257 /nfs/dbraw/zinc/69/62/57/539696257.db2.gz UUJKIUMETXYYCB-INIZCTEOSA-N 1 0 304.438 2.345 10 0 DEAERO C[NH2+][C@H](Cc1cc(Br)cs1)[C@@H]1COCCO1 ZINC000083743397 192381089 /nfs/dbraw/zinc/38/10/89/192381089.db2.gz LPZITHKCCPQEIH-MNOVXSKESA-N 1 0 306.225 2.057 10 0 DEAERO C[NH2+][C@H](CCOC)Cc1ccc(I)cc1 ZINC000083850776 192387050 /nfs/dbraw/zinc/38/70/50/192387050.db2.gz WDLBLEJBSAWAQU-GFCCVEGCSA-N 1 0 319.186 2.458 10 0 DEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccn(C)c2C)o1 ZINC000195149937 539720551 /nfs/dbraw/zinc/72/05/51/539720551.db2.gz VRVNXHIKNAGCTP-UHFFFAOYSA-N 1 0 303.406 2.439 10 0 DEAERO COc1ccc(C(=O)Nc2nc([C@@H](C)[NH3+])cs2)cc1OC ZINC000083867213 192388344 /nfs/dbraw/zinc/38/83/44/192388344.db2.gz CUQGMIRBHYRVFC-MRVPVSSYSA-N 1 0 307.375 2.432 10 0 DEAERO Cc1ccc([S@](=O)[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)cc1C ZINC000083998160 192395217 /nfs/dbraw/zinc/39/52/17/192395217.db2.gz LCMONPSJVSLLDQ-VFCRVFHLSA-N 1 0 309.431 2.034 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000083996840 192395293 /nfs/dbraw/zinc/39/52/93/192395293.db2.gz JHCPCPLYFLWJKV-CFVMTHIKSA-N 1 0 303.468 2.137 10 0 DEAERO CCOC[C@H]([NH3+])Cc1ccc(I)cc1 ZINC000084063965 192399494 /nfs/dbraw/zinc/39/94/94/192399494.db2.gz KRINNBJCVAWIMB-LLVKDONJSA-N 1 0 305.159 2.198 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1Sc1nccc(C)n1)OCCO2 ZINC000083966511 192392771 /nfs/dbraw/zinc/39/27/71/192392771.db2.gz QLBSNZUWGRHDAN-STQMWFEESA-N 1 0 309.435 2.151 10 0 DEAERO COc1ccc(Br)c(C[C@@]2(O)CC[C@H]([NH3+])C2)c1 ZINC000133454082 185986330 /nfs/dbraw/zinc/98/63/30/185986330.db2.gz QHPDMVBXHPNXEY-GWCFXTLKSA-N 1 0 300.196 2.243 10 0 DEAERO CC[C@H](C)NC(=O)Cn1c2ccc(F)cc2nc1[C@@H]([NH3+])CC ZINC000071664541 191001586 /nfs/dbraw/zinc/00/15/86/191001586.db2.gz MQHOQMSICLOLSB-JQWIXIFHSA-N 1 0 306.385 2.500 10 0 DEAERO COC(=O)c1ccc(NC(=O)Cc2csc([C@H](C)[NH3+])n2)cc1 ZINC000071696161 191008221 /nfs/dbraw/zinc/00/82/21/191008221.db2.gz MJEBCAURHCOSBQ-VIFPVBQESA-N 1 0 319.386 2.131 10 0 DEAERO [NH3+]CCCc1nc(CC(=O)NCc2ccc(F)cc2)cs1 ZINC000071694802 191008347 /nfs/dbraw/zinc/00/83/47/191008347.db2.gz ZJYLVMRHVNWIJF-UHFFFAOYSA-N 1 0 307.394 2.032 10 0 DEAERO C[C@@H](NC(=O)Cc1csc(CCC[NH3+])n1)c1ccccc1 ZINC000071694696 191009013 /nfs/dbraw/zinc/00/90/13/191009013.db2.gz IUKRBWYEOXHCSD-GFCCVEGCSA-N 1 0 303.431 2.454 10 0 DEAERO Cc1cccc(N2CCN(C(=O)c3ccccc3C[NH3+])CC2)c1 ZINC000071700027 191009915 /nfs/dbraw/zinc/00/99/15/191009915.db2.gz APRZIMFTGVGLDP-UHFFFAOYSA-N 1 0 309.413 2.416 10 0 DEAERO Nc1ncccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000071700403 191010276 /nfs/dbraw/zinc/01/02/76/191010276.db2.gz CTAMYFILQQMWLP-MRXNPFEDSA-N 1 0 310.401 2.231 10 0 DEAERO C[C@@H]1CC(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000245756369 539758379 /nfs/dbraw/zinc/75/83/79/539758379.db2.gz ZORZOELOJGUGSB-CPUCHLNUSA-N 1 0 304.434 2.232 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1C(=O)c1ccco1 ZINC000133783005 186012043 /nfs/dbraw/zinc/01/20/43/186012043.db2.gz YRBXSAPBHAEVBR-UHFFFAOYSA-N 1 0 312.167 2.031 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Nc1cccc(Br)c1O ZINC000133830425 186012944 /nfs/dbraw/zinc/01/29/44/186012944.db2.gz VVRBMTSENUCMHC-MRVPVSSYSA-N 1 0 301.184 2.468 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c(CC[C@H]3CCCC[NH2+]3)nc21 ZINC000138137067 186014209 /nfs/dbraw/zinc/01/42/09/186014209.db2.gz LWHVFRNUWRITPK-LLVKDONJSA-N 1 0 307.419 2.041 10 0 DEAERO [NH3+][C@@H](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000139298220 186021384 /nfs/dbraw/zinc/02/13/84/186021384.db2.gz AJMAVABUJIWFKC-AAEUAGOBSA-N 1 0 321.364 2.400 10 0 DEAERO CC(C)[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)NC2(C)CC2)c1 ZINC000139311099 186021563 /nfs/dbraw/zinc/02/15/63/186021563.db2.gz NKAOLYVHTCQNHJ-UHFFFAOYSA-N 1 0 318.389 2.294 10 0 DEAERO CCC[C@H]1CCN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1 ZINC000139296568 186021592 /nfs/dbraw/zinc/02/15/92/186021592.db2.gz JJGIXHCYHVIXRJ-JTQLQIEISA-N 1 0 318.389 2.234 10 0 DEAERO CC(C)[C@@H]1N[C@H](c2cccs2)N(C2CC[NH+](C)CC2)C1=O ZINC000141216603 186029056 /nfs/dbraw/zinc/02/90/56/186029056.db2.gz MVJSHPJQUVDKGF-GJZGRUSLSA-N 1 0 307.463 2.297 10 0 DEAERO CC(C)c1nc(OCC(F)(F)C(F)(F)F)cc(NN)[nH+]1 ZINC000147367457 186039311 /nfs/dbraw/zinc/03/93/11/186039311.db2.gz VUTOXYWSKXBRMZ-UHFFFAOYSA-N 1 0 300.231 2.462 10 0 DEAERO CC[NH2+][C@@H](c1cncs1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000147685031 186041180 /nfs/dbraw/zinc/04/11/80/186041180.db2.gz FUTORUNVHWNQSQ-GMXVVIOVSA-N 1 0 302.465 2.397 10 0 DEAERO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248574104 539774580 /nfs/dbraw/zinc/77/45/80/539774580.db2.gz GUTMNIMSNXDERB-VNHYZAJKSA-N 1 0 306.406 2.488 10 0 DEAERO C[C@@H]1OCC[C@@]1(C[NH3+])N(C)Cc1cccc(Br)c1 ZINC000147946281 186042334 /nfs/dbraw/zinc/04/23/34/186042334.db2.gz KKDMBLKZHZWMQQ-FZMZJTMJSA-N 1 0 313.239 2.387 10 0 DEAERO COCC[NH2+]CCCc1c(C)nc(-c2cncs2)nc1C ZINC000148001968 186042451 /nfs/dbraw/zinc/04/24/51/186042451.db2.gz RJIVEFOWWKLDGC-UHFFFAOYSA-N 1 0 306.435 2.386 10 0 DEAERO CCc1cc(Br)ccc1NC[C@@H](O)C[NH+](C)C ZINC000148293203 186043865 /nfs/dbraw/zinc/04/38/65/186043865.db2.gz JQUXWDDUUVMXHP-GFCCVEGCSA-N 1 0 301.228 2.346 10 0 DEAERO C[C@@H]1OCC[C@@]12C[NH+]=C(N)N2c1ccccc1Br ZINC000148448540 186044611 /nfs/dbraw/zinc/04/46/11/186044611.db2.gz DMYNKFLXRPXLEP-TVQRCGJNSA-N 1 0 310.195 2.131 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)s1)C[C@H]1CCS(=O)(=O)C1 ZINC000142922693 186033765 /nfs/dbraw/zinc/03/37/65/186033765.db2.gz PHGJVFDPLVWICR-ZJUUUORDSA-N 1 0 307.868 2.357 10 0 DEAERO CC[NH2+]Cc1c(F)ccc(S(=O)(=O)N(C)C2CCC2)c1F ZINC000144618797 186035694 /nfs/dbraw/zinc/03/56/94/186035694.db2.gz ROSONWSOBMRGIA-UHFFFAOYSA-N 1 0 318.389 2.247 10 0 DEAERO CC[NH+]1CCC(CN2C(=O)[C@H](C)N[C@H]2c2cccs2)CC1 ZINC000145512233 186037025 /nfs/dbraw/zinc/03/70/25/186037025.db2.gz IDKDMMILVKFCSB-SWLSCSKDSA-N 1 0 307.463 2.299 10 0 DEAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000145767948 186038051 /nfs/dbraw/zinc/03/80/51/186038051.db2.gz BWFHYGSOBUCUDR-SJLPKXTDSA-N 1 0 319.493 2.338 10 0 DEAERO C[C@@H](CS(=O)(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000149259302 186048611 /nfs/dbraw/zinc/04/86/11/186048611.db2.gz KVCPCKVSMFMHKC-KBPBESRZSA-N 1 0 310.463 2.179 10 0 DEAERO [NH3+]Cc1cc(NS(=O)(=O)CCc2ccccc2)ccc1F ZINC000149278351 186049329 /nfs/dbraw/zinc/04/93/29/186049329.db2.gz FEAAULJIIAEQCN-UHFFFAOYSA-N 1 0 308.378 2.269 10 0 DEAERO C[C@H](CS(=O)(=O)NC[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000149379062 186049833 /nfs/dbraw/zinc/04/98/33/186049833.db2.gz LEQICHDMONTTGW-RBSFLKMASA-N 1 0 310.463 2.098 10 0 DEAERO CCC[C@@](O)(C[NH3+])Cc1ccc(OC)c(Br)c1 ZINC000150036713 186053944 /nfs/dbraw/zinc/05/39/44/186053944.db2.gz DERIDMBQEJAZOQ-ZDUSSCGKSA-N 1 0 302.212 2.490 10 0 DEAERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)NN2CCCCC2)c1 ZINC000148540487 186045258 /nfs/dbraw/zinc/04/52/58/186045258.db2.gz SSZVQHIFTFOFQZ-HNNXBMFYSA-N 1 0 311.451 2.036 10 0 DEAERO COc1cc(C(N)=[NH2+])ccc1OCc1cn2ccsc2n1 ZINC000148746047 186045374 /nfs/dbraw/zinc/04/53/74/186045374.db2.gz VDKNOPGDEBGFTF-UHFFFAOYSA-N 1 0 302.359 2.267 10 0 DEAERO c1cc(C[NH+]2CCC(C3OCCO3)CC2)n(-c2ccccc2)n1 ZINC000280005054 215304824 /nfs/dbraw/zinc/30/48/24/215304824.db2.gz VRAGKKQDXALXPT-UHFFFAOYSA-N 1 0 313.401 2.457 10 0 DEAERO CCC[NH2+][C@H](Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000150200375 186055377 /nfs/dbraw/zinc/05/53/77/186055377.db2.gz BTJIMJMANPMYQZ-TZMCWYRMSA-N 1 0 316.854 2.080 10 0 DEAERO CCC[NH2+][C@H]1CCCc2sc([C@H]3CCS(=O)(=O)C3)nc21 ZINC000150265907 186056218 /nfs/dbraw/zinc/05/62/18/186056218.db2.gz XHTCTECJDOLXBK-QWRGUYRKSA-N 1 0 314.476 2.422 10 0 DEAERO CCOC(=O)c1cccc(NC(=O)C2([NH3+])Cc3ccccc3C2)c1 ZINC000150760743 186064999 /nfs/dbraw/zinc/06/49/99/186064999.db2.gz JHLUNPWHKGWPRL-UHFFFAOYSA-N 1 0 324.380 2.298 10 0 DEAERO CN(Cc1nnc(-c2ccccc2)n1C)C[C@H]1CCC[N@H+](C)C1 ZINC000152430081 186071905 /nfs/dbraw/zinc/07/19/05/186071905.db2.gz KEHNKNZUQYNPBY-HNNXBMFYSA-N 1 0 313.449 2.256 10 0 DEAERO Cc1ccc(Br)c(NC(=O)[C@@H]2CC[C@@H](C[NH3+])O2)c1 ZINC000163969739 186144330 /nfs/dbraw/zinc/14/43/30/186144330.db2.gz MPLRTAFSHZLHSD-CABZTGNLSA-N 1 0 313.195 2.202 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)NC2CC(C)C2)c(C)s1 ZINC000164014890 186145990 /nfs/dbraw/zinc/14/59/90/186145990.db2.gz IEVABNKPWHKLQU-UHFFFAOYSA-N 1 0 302.465 2.243 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000164106658 186148854 /nfs/dbraw/zinc/14/88/54/186148854.db2.gz KWRUSJVOPQXVRX-LBPRGKRZSA-N 1 0 322.206 2.418 10 0 DEAERO Cn1ncc(Br)c1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000164114441 186149459 /nfs/dbraw/zinc/14/94/59/186149459.db2.gz BFAZTPVURNEVEE-NSHDSACASA-N 1 0 308.179 2.455 10 0 DEAERO COc1cc(C[NH2+]C2(CO)CC2)cc(Br)c1OC ZINC000159549912 186126212 /nfs/dbraw/zinc/12/62/12/186126212.db2.gz SHYMVPVSNCTAOC-UHFFFAOYSA-N 1 0 316.195 2.081 10 0 DEAERO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](C)[S@@](C)=O ZINC000159647549 186132817 /nfs/dbraw/zinc/13/28/17/186132817.db2.gz ZPAQLNIESKNYDZ-GTJPDFRWSA-N 1 0 305.447 2.346 10 0 DEAERO CSc1cc2c(cc1C[NH2+]C[C@H](C)[S@](C)=O)OCCO2 ZINC000159651156 186132961 /nfs/dbraw/zinc/13/29/61/186132961.db2.gz QNRHMCURVQSFLG-WVDJIFEKSA-N 1 0 315.460 2.036 10 0 DEAERO C[C@H]([NH3+])Cc1ccc(N2CCS(=O)CC2)c(C(F)(F)F)c1 ZINC000163880055 186141192 /nfs/dbraw/zinc/14/11/92/186141192.db2.gz PDGBUCHWRHGVKT-JTQLQIEISA-N 1 0 320.380 2.164 10 0 DEAERO CCOC(=O)NCC[NH2+]Cc1ccc(Br)s1 ZINC000163929191 186143052 /nfs/dbraw/zinc/14/30/52/186143052.db2.gz IXQZJCQLPPZSHE-UHFFFAOYSA-N 1 0 307.213 2.346 10 0 DEAERO C[NH+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)c(C(N)=S)c2)C1 ZINC000164212824 186151930 /nfs/dbraw/zinc/15/19/30/186151930.db2.gz JVCMNJMVWRUNNU-SNVBAGLBSA-N 1 0 317.380 2.480 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(CCO)CCOC ZINC000164222893 186152408 /nfs/dbraw/zinc/15/24/08/186152408.db2.gz OTFKTWJKSOCZBE-HUUCEWRRSA-N 1 0 300.830 2.059 10 0 DEAERO Cn1ncc(Br)c1C(=O)CC1([NH3+])CCCCC1 ZINC000164346264 186156731 /nfs/dbraw/zinc/15/67/31/186156731.db2.gz SPEJHDNWBMTLCC-UHFFFAOYSA-N 1 0 300.200 2.417 10 0 DEAERO NNc1cc(N2CCC[C@@H](C(F)(F)F)C2)nc(C2CC2)[nH+]1 ZINC000164362842 186157693 /nfs/dbraw/zinc/15/76/93/186157693.db2.gz WRULCVBJFRUVCT-SECBINFHSA-N 1 0 301.316 2.418 10 0 DEAERO CC(C)[C@H](O)CNC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000175638441 186183810 /nfs/dbraw/zinc/18/38/10/186183810.db2.gz XRNPGMKUAVILNA-NVXWUHKLSA-N 1 0 321.465 2.213 10 0 DEAERO CC[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Oc1cccc(F)c1 ZINC000175641586 186184318 /nfs/dbraw/zinc/18/43/18/186184318.db2.gz NAZBFIWMFWWBHT-CABCVRRESA-N 1 0 323.412 2.329 10 0 DEAERO COc1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1OC ZINC000179686010 186205393 /nfs/dbraw/zinc/20/53/93/186205393.db2.gz KWBYGSUDPUUOEO-UHFFFAOYSA-N 1 0 306.406 2.004 10 0 DEAERO OC[C@@H]([NH2+]CCCn1ccnc1)c1cccc(Br)c1 ZINC000183898368 186229094 /nfs/dbraw/zinc/22/90/94/186229094.db2.gz LNETXNBNMULSFY-CQSZACIVSA-N 1 0 324.222 2.359 10 0 DEAERO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187987322 186240084 /nfs/dbraw/zinc/24/00/84/186240084.db2.gz OTZWXAGASLCMRX-HNAYVOBHSA-N 1 0 318.461 2.436 10 0 DEAERO Nc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000171625479 197954813 /nfs/dbraw/zinc/95/48/13/197954813.db2.gz XNMTXKGLFKQKIN-CYBMUJFWSA-N 1 0 322.840 2.408 10 0 DEAERO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@@H]1CCCO1 ZINC000179101206 299175596 /nfs/dbraw/zinc/17/55/96/299175596.db2.gz QJLDXNWFMCGZPZ-PQEBFOHHSA-N 1 0 317.433 2.299 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1 ZINC000171888326 198002458 /nfs/dbraw/zinc/00/24/58/198002458.db2.gz RXYJCCOGCNKCQN-SJLPKXTDSA-N 1 0 310.397 2.409 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000171899048 198003698 /nfs/dbraw/zinc/00/36/98/198003698.db2.gz HSCLJJJCEPYQBM-TZMCWYRMSA-N 1 0 321.396 2.385 10 0 DEAERO O=C1[C@@H](N2C[C@H]3CCC[C@@H](C2)C3O)CCN1c1ccccc1F ZINC000172045588 198030459 /nfs/dbraw/zinc/03/04/59/198030459.db2.gz WQRZIWFCTKKRNY-XLKCZGELSA-N 1 0 318.392 2.024 10 0 DEAERO CN1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C1=O ZINC000172087580 198037879 /nfs/dbraw/zinc/03/78/79/198037879.db2.gz BJJPUHXRDYITGS-QWHCGFSZSA-N 1 0 309.207 2.257 10 0 DEAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2)[C@H](C)C1 ZINC000172164928 198050608 /nfs/dbraw/zinc/05/06/08/198050608.db2.gz HHSPRPXJFYUOJU-SJLPKXTDSA-N 1 0 318.461 2.482 10 0 DEAERO CC[NH+](CC)CCNC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000072588804 191198209 /nfs/dbraw/zinc/19/82/09/191198209.db2.gz ALLBBGQLIADSAN-UHFFFAOYSA-N 1 0 306.410 2.133 10 0 DEAERO CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000172911613 198166245 /nfs/dbraw/zinc/16/62/45/198166245.db2.gz DSXPIHXOAAJPRD-LSDHHAIUSA-N 1 0 318.417 2.019 10 0 DEAERO CC[NH+](CC)CCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000172911617 198166387 /nfs/dbraw/zinc/16/63/87/198166387.db2.gz DSXPIHXOAAJPRD-GJZGRUSLSA-N 1 0 318.417 2.019 10 0 DEAERO COc1ccccc1NC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000072758818 191227140 /nfs/dbraw/zinc/22/71/40/191227140.db2.gz PFDMTAJPMTYFRB-OAHLLOKOSA-N 1 0 319.449 2.440 10 0 DEAERO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000072878308 191246252 /nfs/dbraw/zinc/24/62/52/191246252.db2.gz NHIXDDNAQOCDMQ-VHSXEESVSA-N 1 0 313.348 2.238 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000332798079 539940232 /nfs/dbraw/zinc/94/02/32/539940232.db2.gz MVMWENYODQOULV-DOMZBBRYSA-N 1 0 318.465 2.274 10 0 DEAERO CCn1nc(C)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1Cl ZINC000173216817 198197335 /nfs/dbraw/zinc/19/73/35/198197335.db2.gz CESPHMKLKXSGNY-PWSUYJOCSA-N 1 0 312.845 2.420 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2nc3c(s2)COCC3)CC[N@@H+]1C ZINC000173241796 198199738 /nfs/dbraw/zinc/19/97/38/198199738.db2.gz AIFWJLKJJIQWKO-MNOVXSKESA-N 1 0 324.450 2.162 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccs2)[C@H](C)C1 ZINC000173256399 198202805 /nfs/dbraw/zinc/20/28/05/198202805.db2.gz JDDLEHWVQYDUIR-NEPJUHHUSA-N 1 0 302.465 2.099 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000173267328 198203614 /nfs/dbraw/zinc/20/36/14/198203614.db2.gz CLRMCJZMGCDEMQ-HUUCEWRRSA-N 1 0 310.463 2.407 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)cc2F)CC[N@@H+]1C ZINC000173278756 198205239 /nfs/dbraw/zinc/20/52/39/198205239.db2.gz SQBDOYMHSQTRKW-ZYHUDNBSSA-N 1 0 318.389 2.068 10 0 DEAERO C[C@@H](C(=O)N1CCO[C@H](c2nccs2)C1)[NH+]1CCCCCC1 ZINC000173271702 198204503 /nfs/dbraw/zinc/20/45/03/198204503.db2.gz VWIUVSLIZUPZPT-KBPBESRZSA-N 1 0 323.462 2.308 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000173269705 198204894 /nfs/dbraw/zinc/20/48/94/198204894.db2.gz ARYZUZAKNGLRSD-SWLSCSKDSA-N 1 0 314.426 2.070 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000173270828 198204911 /nfs/dbraw/zinc/20/49/11/198204911.db2.gz VZKZPPKNXXRKQQ-DGCLKSJQSA-N 1 0 316.854 2.443 10 0 DEAERO O=C(NCCc1ccccc1F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173441123 198215366 /nfs/dbraw/zinc/21/53/66/198215366.db2.gz URGBTOGDTIZQKH-OAHLLOKOSA-N 1 0 303.381 2.024 10 0 DEAERO O=C(NCCc1cccc(F)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173541208 198225128 /nfs/dbraw/zinc/22/51/28/198225128.db2.gz UHRHCSQNIILSOK-INIZCTEOSA-N 1 0 303.381 2.024 10 0 DEAERO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333690954 539968930 /nfs/dbraw/zinc/96/89/30/539968930.db2.gz MLXFTLLTFWCGNX-FHIRATQRSA-N 1 0 302.422 2.333 10 0 DEAERO C[C@@]1(CNC(=O)N[C@@H]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000333746340 539970795 /nfs/dbraw/zinc/97/07/95/539970795.db2.gz JLSKAMPZJAEQSQ-SJLPKXTDSA-N 1 0 301.434 2.233 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCCCn1ccnc1C ZINC000173831582 198258826 /nfs/dbraw/zinc/25/88/26/198258826.db2.gz WOLPOZCDQUJKLD-CQSZACIVSA-N 1 0 309.458 2.001 10 0 DEAERO C[C@@H](CNc1ccc(N)cc1I)[NH+](C)C ZINC000085110358 192480411 /nfs/dbraw/zinc/48/04/11/192480411.db2.gz SQHSXBMZVWXBGJ-QMMMGPOBSA-N 1 0 319.190 2.235 10 0 DEAERO COC(C)(C)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272393808 209792250 /nfs/dbraw/zinc/79/22/50/209792250.db2.gz DCAYSCOIFKEQFK-GDBMZVCRSA-N 1 0 304.434 2.438 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1ccc(F)cc1 ZINC000175045126 198420199 /nfs/dbraw/zinc/42/01/99/198420199.db2.gz CVYOZFJKPHXZFN-DLBZAZTESA-N 1 0 319.424 2.001 10 0 DEAERO O=C(N[C@@H]1CCOc2ccc(F)cc21)N[C@@H]1CCCC[NH2+]C1 ZINC000333532817 282943508 /nfs/dbraw/zinc/94/35/08/282943508.db2.gz IFSWSHWXYJOHOP-TZMCWYRMSA-N 1 0 307.369 2.091 10 0 DEAERO O=C(NCCOCc1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000176443868 198586922 /nfs/dbraw/zinc/58/69/22/198586922.db2.gz XKJNRBYBQSJNAS-KRWDZBQOSA-N 1 0 317.433 2.083 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000236786901 202007126 /nfs/dbraw/zinc/00/71/26/202007126.db2.gz QWMMQTBMDCBKCU-HNNXBMFYSA-N 1 0 318.417 2.388 10 0 DEAERO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1F ZINC000042327618 354192958 /nfs/dbraw/zinc/19/29/58/354192958.db2.gz CNAFCWDTVAPWRP-UHFFFAOYSA-N 1 0 319.424 2.001 10 0 DEAERO CCC(=O)OC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OC(=O)CC ZINC000048533462 354353654 /nfs/dbraw/zinc/35/36/54/354353654.db2.gz IAILZLXBCDRKGE-HOTGVXAUSA-N 1 0 319.401 2.393 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)N(C)[C@@H](CO)CC(C)C)CC1 ZINC000185316983 535264478 /nfs/dbraw/zinc/26/44/78/535264478.db2.gz HHOXPXCBUCZPGT-MRXNPFEDSA-N 1 0 313.486 2.299 10 0 DEAERO CC(C)(C)C[N@@H+]1CCC[C@@H](c2nc(-c3cnccn3)n[nH]2)C1 ZINC000065286783 354681736 /nfs/dbraw/zinc/68/17/36/354681736.db2.gz JMYDEASOVAMANS-GFCCVEGCSA-N 1 0 300.410 2.487 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCc1cccc(N2CC=CC2)c1 ZINC000183693064 199631699 /nfs/dbraw/zinc/63/16/99/199631699.db2.gz LVFVKDAJLDZGCO-UHFFFAOYSA-N 1 0 322.412 2.454 10 0 DEAERO CC(=O)c1c(F)cccc1NC1CCN(CC[NH+](C)C)CC1 ZINC000075669317 355100977 /nfs/dbraw/zinc/10/09/77/355100977.db2.gz XTFWKZVZIMSGMA-UHFFFAOYSA-N 1 0 307.413 2.466 10 0 DEAERO CCC[N@@H+]1CCCN(c2cncc(-n3nc(C)cc3C)n2)CC1 ZINC000078251390 355248759 /nfs/dbraw/zinc/24/87/59/355248759.db2.gz QCMWSAULYRKQBQ-UHFFFAOYSA-N 1 0 314.437 2.201 10 0 DEAERO CC(C)[NH2+][C@](C)(CO)C[C@@H](C)n1cc(Br)cn1 ZINC000085263902 192485720 /nfs/dbraw/zinc/48/57/20/192485720.db2.gz BTGAAOYDWKHMDP-PWSUYJOCSA-N 1 0 304.232 2.346 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(c2cncc(-n3nc(C)cc3C)n2)C1 ZINC000078576101 355268339 /nfs/dbraw/zinc/26/83/39/355268339.db2.gz OCKRZEAZRMYFCR-OAHLLOKOSA-N 1 0 314.437 2.200 10 0 DEAERO CCC[NH2+][C@](C)(CO)CCn1nc(C)c(Br)c1C ZINC000085262323 192486020 /nfs/dbraw/zinc/48/60/20/192486020.db2.gz KWGMNBDABYPVMZ-ZDUSSCGKSA-N 1 0 318.259 2.403 10 0 DEAERO CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000236820246 202025726 /nfs/dbraw/zinc/02/57/26/202025726.db2.gz WFVXBAHFFYCVIR-LSDHHAIUSA-N 1 0 303.406 2.235 10 0 DEAERO Cc1cc(C)n(-c2cncc(NCC3CC[NH+](C)CC3)n2)n1 ZINC000092639832 355642322 /nfs/dbraw/zinc/64/23/22/355642322.db2.gz DENDJABEJNWATI-UHFFFAOYSA-N 1 0 300.410 2.033 10 0 DEAERO Cc1nc(C(=O)N2C[C@H]3C[NH2+][C@@H]3C2)c(-c2ccccc2F)s1 ZINC000116826027 355776283 /nfs/dbraw/zinc/77/62/83/355776283.db2.gz OWEIHOMVAZJEMA-ZWNOBZJWSA-N 1 0 317.389 2.301 10 0 DEAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC000370529477 283126361 /nfs/dbraw/zinc/12/63/61/283126361.db2.gz UDIKHPAWMDWINU-LXTVHRRPSA-N 1 0 318.465 2.312 10 0 DEAERO COc1cc(C)c(CSc2nc(N)cc(N)[nH+]2)cc1OC ZINC000005229338 181219182 /nfs/dbraw/zinc/21/91/82/181219182.db2.gz YTRJBZXNEGCLSX-UHFFFAOYSA-N 1 0 306.391 2.259 10 0 DEAERO CNC(=O)c1c2ncccc2nc([C@@H](C)[NH3+])c1-c1ccccn1 ZINC000141589074 355891084 /nfs/dbraw/zinc/89/10/84/355891084.db2.gz JAOBPUAAGFBZGR-SNVBAGLBSA-N 1 0 307.357 2.071 10 0 DEAERO Cc1ccccc1C1(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000171021373 355996497 /nfs/dbraw/zinc/99/64/97/355996497.db2.gz NSKXAEKYBBRMFO-UHFFFAOYSA-N 1 0 316.445 2.255 10 0 DEAERO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccc(-n2cccn2)cc1 ZINC000180843974 356063775 /nfs/dbraw/zinc/06/37/75/356063775.db2.gz NQOCZQJEYULOFD-UONOGXRCSA-N 1 0 321.446 2.204 10 0 DEAERO CN(C)C(=O)C1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000179590483 356027969 /nfs/dbraw/zinc/02/79/69/356027969.db2.gz UVDYQEMYULCBKT-UHFFFAOYSA-N 1 0 306.454 2.018 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000182017529 356104808 /nfs/dbraw/zinc/10/48/08/356104808.db2.gz TUDNQBAIBBNRIG-CZUORRHYSA-N 1 0 317.433 2.305 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(-n2ccnn2)cc1 ZINC000182051034 356106482 /nfs/dbraw/zinc/10/64/82/356106482.db2.gz KWNDHCFXFFSNQL-BBRMVZONSA-N 1 0 318.421 2.094 10 0 DEAERO C[C@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccc2c(c1)OCO2 ZINC000182294680 356119318 /nfs/dbraw/zinc/11/93/18/356119318.db2.gz QKLLTMIRQZSXGX-JTQLQIEISA-N 1 0 319.386 2.185 10 0 DEAERO CC[C@H]1CN(C(=O)NCC2(C)CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000181734338 356092528 /nfs/dbraw/zinc/09/25/28/356092528.db2.gz SRZMJBAFBMPTNE-CABCVRRESA-N 1 0 311.470 2.053 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H](C)C(C)(C)C)CC1 ZINC000181753423 356094370 /nfs/dbraw/zinc/09/43/70/356094370.db2.gz JZRWOVNPHAJKMA-ZIAGYGMSSA-N 1 0 313.486 2.155 10 0 DEAERO Cc1csc([C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C2CC2)n1 ZINC000183511330 356174969 /nfs/dbraw/zinc/17/49/69/356174969.db2.gz VPHXFLADSVUHSP-JOYOIKCWSA-N 1 0 302.465 2.173 10 0 DEAERO COC(=O)[C@@H](C)C[N@H+](Cc1cnn(C)c1)Cc1ccccc1 ZINC000195125444 356249837 /nfs/dbraw/zinc/24/98/37/356249837.db2.gz BITJKSVLGFDZFQ-AWEZNQCLSA-N 1 0 301.390 2.231 10 0 DEAERO CC[C@H](C)[NH+]1CCN(C[C@@H](C(N)=S)c2ccccc2)CC1 ZINC000080797692 192191652 /nfs/dbraw/zinc/19/16/52/192191652.db2.gz FTZHULBHXQHDCN-GOEBONIOSA-N 1 0 305.491 2.472 10 0 DEAERO CC(C)C[NH+]1CCN(C[C@H](C(N)=S)c2ccccc2)CC1 ZINC000080797696 192191694 /nfs/dbraw/zinc/19/16/94/192191694.db2.gz XGUIQMGPSNNLHL-INIZCTEOSA-N 1 0 305.491 2.330 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000085358108 192493927 /nfs/dbraw/zinc/49/39/27/192493927.db2.gz YIQDKVNYXUDTHO-CABCVRRESA-N 1 0 307.825 2.116 10 0 DEAERO COc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1OC(F)F ZINC000085364507 192495354 /nfs/dbraw/zinc/49/53/54/192495354.db2.gz ATGQERXEFOOINX-NXEZZACHSA-N 1 0 300.305 2.363 10 0 DEAERO CC(C)[C@H](C(=O)NCc1ccccc1-n1cccn1)[C@@H](C)[NH3+] ZINC000399741955 283154177 /nfs/dbraw/zinc/15/41/77/283154177.db2.gz QDCABOHOPKRZKA-CJNGLKHVSA-N 1 0 300.406 2.108 10 0 DEAERO COC(=O)C[C@@H](NC(=O)[C@H]1CCCCC[NH2+]1)c1cccs1 ZINC000081015167 192213885 /nfs/dbraw/zinc/21/38/85/192213885.db2.gz YXJUDTYPLMLKHC-VXGBXAGGSA-N 1 0 310.419 2.001 10 0 DEAERO C[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400338178 283155750 /nfs/dbraw/zinc/15/57/50/283155750.db2.gz FYZGFDLZYVLLSW-MGPQQGTHSA-N 1 0 300.443 2.240 10 0 DEAERO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000262329537 356341275 /nfs/dbraw/zinc/34/12/75/356341275.db2.gz XUAFSAPRHODNEX-CAOSSQGBSA-N 1 0 323.481 2.047 10 0 DEAERO C[C@H]1CN(C(=O)c2coc(Br)c2)C[C@@H]1[NH+](C)C ZINC000266194871 356348663 /nfs/dbraw/zinc/34/86/63/356348663.db2.gz NPKSTTIKVUGVLH-WPRPVWTQSA-N 1 0 301.184 2.064 10 0 DEAERO 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YMCDIKDSUWZHIH-VXGBXAGGSA-N 1 0 301.394 2.399 10 0 DEAERO CC(C)CC[C@@](C)(O)CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085423358 192503582 /nfs/dbraw/zinc/50/35/82/192503582.db2.gz MQBUKTOVVHEMAK-RHSMWYFYSA-N 1 0 315.502 2.449 10 0 DEAERO CCC[NH2+][C@@H](c1ccc(OC)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086021492 192543636 /nfs/dbraw/zinc/54/36/36/192543636.db2.gz JDZBRZJJWDEQJL-CZUORRHYSA-N 1 0 311.447 2.479 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccccc1Br ZINC000086041031 192546819 /nfs/dbraw/zinc/54/68/19/192546819.db2.gz FGRRIHFKOHJRNY-LSJOCFKGSA-N 1 0 318.236 2.349 10 0 DEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000236996370 202115322 /nfs/dbraw/zinc/11/53/22/202115322.db2.gz UTKJVBGQTNGOJC-OQPBUACISA-N 1 0 321.402 2.379 10 0 DEAERO [NH3+][C@@H](Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000086566432 192582511 /nfs/dbraw/zinc/58/25/11/192582511.db2.gz FTBQFJDBSWREIH-CABZTGNLSA-N 1 0 308.230 2.298 10 0 DEAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)COCc1ccccc1 ZINC000404411583 356733604 /nfs/dbraw/zinc/73/36/04/356733604.db2.gz PALJGAHBGTVGGG-SFHVURJKSA-N 1 0 310.397 2.288 10 0 DEAERO CCC[C@H]1C[NH2+][C@@H](CC(C)C)CN1CCCS(=O)(=O)CC ZINC000086982432 192606622 /nfs/dbraw/zinc/60/66/22/192606622.db2.gz JHTAOVNNTIDALW-HOTGVXAUSA-N 1 0 318.527 2.300 10 0 DEAERO CC1CCC(O)(C[NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000087062242 192619544 /nfs/dbraw/zinc/61/95/44/192619544.db2.gz HQDUHFLSNGGALC-NPCAHTBFSA-N 1 0 313.463 2.156 10 0 DEAERO O=C(NC1CC1)[C@H]([NH2+]CCOCC1CCC1)c1ccccc1 ZINC000580807801 357082587 /nfs/dbraw/zinc/08/25/87/357082587.db2.gz ZCAGNQUVRNHRLJ-QGZVFWFLSA-N 1 0 302.418 2.413 10 0 DEAERO CC[C@@H](C)N(CC)S(=O)(=O)c1c(C)oc(C)c1C[NH2+]C ZINC000088951110 192665699 /nfs/dbraw/zinc/66/56/99/192665699.db2.gz GCABTPPYSKOVDX-SNVBAGLBSA-N 1 0 302.440 2.425 10 0 DEAERO CNc1c(N)c[nH+]c2c(C)ccc(I)c12 ZINC000584882534 357324262 /nfs/dbraw/zinc/32/42/62/357324262.db2.gz JOWLYALKCVSTJR-UHFFFAOYSA-N 1 0 313.142 2.194 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2cnn(C)c2)CC1 ZINC000180330038 199146058 /nfs/dbraw/zinc/14/60/58/199146058.db2.gz CKNRJJSXHRHRLS-AWEZNQCLSA-N 1 0 321.469 2.387 10 0 DEAERO Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1F ZINC000180408454 199155567 /nfs/dbraw/zinc/15/55/67/199155567.db2.gz YKQVPLIZBLFRSJ-ZDUSSCGKSA-N 1 0 321.396 2.063 10 0 DEAERO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1OCC ZINC000180493813 199166430 /nfs/dbraw/zinc/16/64/30/199166430.db2.gz RIFUFQQIICTPPL-HOCLYGCPSA-N 1 0 322.449 2.465 10 0 DEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc2c(c1)OCCCO2 ZINC000180583326 199179827 /nfs/dbraw/zinc/17/98/27/199179827.db2.gz QEQHXISWNVZERC-JSGCOSHPSA-N 1 0 314.389 2.105 10 0 DEAERO COc1ccccc1C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(C)C ZINC000180581089 199180057 /nfs/dbraw/zinc/18/00/57/199180057.db2.gz ZMQVVGQQMROAOR-HZPDHXFCSA-N 1 0 314.433 2.458 10 0 DEAERO c1nc2n(n1)C[C@H]([NH2+][C@@H]1CSCCc3ccccc31)CC2 ZINC000180604524 199183543 /nfs/dbraw/zinc/18/35/43/199183543.db2.gz FFODRLSVRDRCNM-UKRRQHHQSA-N 1 0 300.431 2.213 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc(-n2ccnc2)c1 ZINC000180677256 199195059 /nfs/dbraw/zinc/19/50/59/199195059.db2.gz UEUDPYUMFCXOLJ-ZDUSSCGKSA-N 1 0 300.406 2.438 10 0 DEAERO COc1ccc(C[C@@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1OC ZINC000180703731 199198883 /nfs/dbraw/zinc/19/88/83/199198883.db2.gz JTTGQGZAPDCNMF-HIFRSBDPSA-N 1 0 320.433 2.045 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(-n2ccnc2)nc1 ZINC000180838165 199216034 /nfs/dbraw/zinc/21/60/34/199216034.db2.gz XFAZWCACISSLLF-IAGOWNOFSA-N 1 0 311.433 2.326 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C(=O)OC)c(C)o1 ZINC000180839277 199216417 /nfs/dbraw/zinc/21/64/17/199216417.db2.gz MTWQYFMQRRPNSY-UONOGXRCSA-N 1 0 306.406 2.433 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(Cl)cn2)C1 ZINC000180900058 199225535 /nfs/dbraw/zinc/22/55/35/199225535.db2.gz IOZAPGPPEGQQHY-GFCCVEGCSA-N 1 0 310.829 2.266 10 0 DEAERO COC(=O)c1ccc(CNC(=[NH2+])N2CCC(C)CC2)c(F)c1 ZINC000596013306 358593773 /nfs/dbraw/zinc/59/37/73/358593773.db2.gz YKSDQKHFHCTDQJ-UHFFFAOYSA-N 1 0 307.369 2.369 10 0 DEAERO C[NH2+]Cc1cccc(S(=O)(=O)N2Cc3ccccc3C2)c1 ZINC000089022932 192703932 /nfs/dbraw/zinc/70/39/32/192703932.db2.gz SCQFBRNGNRKELY-UHFFFAOYSA-N 1 0 302.399 2.111 10 0 DEAERO O=S(=O)(CCC[NH2+]C1CC1)N1CCC2(CCCC2)CC1 ZINC000089034211 192708468 /nfs/dbraw/zinc/70/84/68/192708468.db2.gz ZROKNAISIIUHPW-UHFFFAOYSA-N 1 0 300.468 2.115 10 0 DEAERO CCN(Cc1c(Br)c(C)nn1C)C1CC[NH2+]CC1 ZINC000089235938 192749118 /nfs/dbraw/zinc/74/91/18/192749118.db2.gz AKPTWSAESUQHAK-UHFFFAOYSA-N 1 0 315.259 2.065 10 0 DEAERO Cc1nn(C)c(C[C@@H]([NH3+])COc2ccccc2)c1Br ZINC000089251336 192751539 /nfs/dbraw/zinc/75/15/39/192751539.db2.gz JVUYFKJDWMMEPM-LLVKDONJSA-N 1 0 324.222 2.440 10 0 DEAERO C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CC1(CO)CC1 ZINC000186808748 200014114 /nfs/dbraw/zinc/01/41/14/200014114.db2.gz HUXLRVCSKNQUSJ-KRWDZBQOSA-N 1 0 316.445 2.275 10 0 DEAERO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC2(CO)CC2)cc1 ZINC000186823868 200017196 /nfs/dbraw/zinc/01/71/96/200017196.db2.gz DCDILWRVUDXQGZ-CYBMUJFWSA-N 1 0 306.406 2.117 10 0 DEAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccnc1SC(F)(F)F ZINC000186754760 200003995 /nfs/dbraw/zinc/00/39/95/200003995.db2.gz AAOIAIIHGQWXNG-WPRPVWTQSA-N 1 0 319.352 2.421 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC[C@](C)(O)c1ccccc1 ZINC000187041414 200051290 /nfs/dbraw/zinc/05/12/90/200051290.db2.gz PZFHNCQVQMUXEX-YJBOKZPZSA-N 1 0 321.465 2.314 10 0 DEAERO CC[C@@]1(CO)CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000187059155 200054185 /nfs/dbraw/zinc/05/41/85/200054185.db2.gz IGAOVQVJSJPISC-PKOBYXMFSA-N 1 0 318.461 2.170 10 0 DEAERO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H](C)[C@H](C)CO ZINC000187258600 200085107 /nfs/dbraw/zinc/08/51/07/200085107.db2.gz XPYPIJAGJAYAFX-GHMZBOCLSA-N 1 0 319.854 2.240 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000187513130 200122268 /nfs/dbraw/zinc/12/22/68/200122268.db2.gz MDHUPPJBRKUROR-CQSZACIVSA-N 1 0 320.437 2.134 10 0 DEAERO C[N@H+](C[C@@H]1CCCO1)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000187821734 200161221 /nfs/dbraw/zinc/16/12/21/200161221.db2.gz NYGAFPBVWAXZOV-HOTGVXAUSA-N 1 0 306.381 2.432 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccncc2C)[C@H](C)C1 ZINC000188272349 200220659 /nfs/dbraw/zinc/22/06/59/200220659.db2.gz KVVCRDCTVGRPAA-GDBMZVCRSA-N 1 0 304.438 2.262 10 0 DEAERO COc1cccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](OC)C2)c1 ZINC000189297890 200377421 /nfs/dbraw/zinc/37/74/21/200377421.db2.gz WEUUPQNBIIPJGQ-KEYYUXOJSA-N 1 0 320.433 2.057 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2nccn2c1 ZINC000606581419 361022658 /nfs/dbraw/zinc/02/26/58/361022658.db2.gz CFUSVGQFHQPPGX-CYBMUJFWSA-N 1 0 301.394 2.330 10 0 DEAERO C[C@H](NC(=O)N1CCC(c2ncc[nH]2)CC1)C1CC[NH+](C)CC1 ZINC000606701376 361034281 /nfs/dbraw/zinc/03/42/81/361034281.db2.gz BIXMNHHKWMOPLJ-ZDUSSCGKSA-N 1 0 319.453 2.029 10 0 DEAERO CCC[NH+]1CCC(NC(=O)Nc2ccc3nccn3c2)CC1 ZINC000608313783 361196601 /nfs/dbraw/zinc/19/66/01/361196601.db2.gz NFVMWZPTPHNIMN-UHFFFAOYSA-N 1 0 301.394 2.330 10 0 DEAERO CC[C@H](C[C@H](C)CO)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000608722014 361254900 /nfs/dbraw/zinc/25/49/00/361254900.db2.gz HHNPHTQURDOMKI-BLNMRFBMSA-N 1 0 311.470 2.098 10 0 DEAERO C[C@H]([NH3+])CCC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000193208290 201006805 /nfs/dbraw/zinc/00/68/05/201006805.db2.gz ITOSZKYVFAHBHV-NSHDSACASA-N 1 0 311.813 2.302 10 0 DEAERO C[C@H]([NH3+])CCC(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000193210113 201007107 /nfs/dbraw/zinc/00/71/07/201007107.db2.gz RHDYAMFJDKKDSO-HNNXBMFYSA-N 1 0 304.434 2.364 10 0 DEAERO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](O)COC(C)(C)C)c1 ZINC000193430522 201050285 /nfs/dbraw/zinc/05/02/85/201050285.db2.gz SSBIEJXKKANGKA-WBMJQRKESA-N 1 0 308.422 2.472 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000193511364 201066469 /nfs/dbraw/zinc/06/64/69/201066469.db2.gz NRXHVSOYDIRAGC-NHYWBVRUSA-N 1 0 318.808 2.396 10 0 DEAERO Cc1c(Cl)cccc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000193736208 201114091 /nfs/dbraw/zinc/11/40/91/201114091.db2.gz XSVGOLBLZSJTJU-UHFFFAOYSA-N 1 0 323.824 2.140 10 0 DEAERO C[NH2+][C@H]1CCCN([C@H](C)C(=O)N2CCSc3ccccc32)C1 ZINC000261830731 283682253 /nfs/dbraw/zinc/68/22/53/283682253.db2.gz VKRUTNJAKHCSEK-KGLIPLIRSA-N 1 0 319.474 2.198 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)c1ccccc1 ZINC000194152376 201187805 /nfs/dbraw/zinc/18/78/05/201187805.db2.gz FONFPPKUPZQAPG-QGZVFWFLSA-N 1 0 310.397 2.158 10 0 DEAERO COC(=O)C(C)(C)[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1ccccc1 ZINC000611406654 361593993 /nfs/dbraw/zinc/59/39/93/361593993.db2.gz TXUDDSWQMRFYJR-INIZCTEOSA-N 1 0 318.417 2.137 10 0 DEAERO Cc1ncn(CC[NH2+]CCC(C)(C)C)c(=O)c1Br ZINC000090767497 192931926 /nfs/dbraw/zinc/93/19/26/192931926.db2.gz JHHFBDOBINPEDG-UHFFFAOYSA-N 1 0 316.243 2.340 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000247534486 202681030 /nfs/dbraw/zinc/68/10/30/202681030.db2.gz XWJWRXILOOAIEW-STQMWFEESA-N 1 0 311.385 2.249 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000247549135 202682228 /nfs/dbraw/zinc/68/22/28/202682228.db2.gz ZDVAUIUAIZVQGZ-UBHSHLNASA-N 1 0 308.372 2.478 10 0 DEAERO Cc1nc2cc(NC(=O)c3csc(CC[NH3+])n3)ccc2o1 ZINC000090952192 192963884 /nfs/dbraw/zinc/96/38/84/192963884.db2.gz GBVHAPNLQAKBQT-UHFFFAOYSA-N 1 0 302.359 2.346 10 0 DEAERO C[NH+](C)C1CC(NC(=O)c2cccc(F)c2Br)C1 ZINC000622007838 364633689 /nfs/dbraw/zinc/63/36/89/364633689.db2.gz NOQRHCDODHZSSD-UHFFFAOYSA-N 1 0 315.186 2.411 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]CC[C@H]2CC2(F)F)cc1 ZINC000622016581 364636245 /nfs/dbraw/zinc/63/62/45/364636245.db2.gz KXGMBOUNJLCJEB-UONOGXRCSA-N 1 0 313.344 2.264 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC12COC2 ZINC000449359098 240391142 /nfs/dbraw/zinc/39/11/42/240391142.db2.gz GGLUQTSOLOCJIR-CQSZACIVSA-N 1 0 309.793 2.352 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2C)CC12COC2 ZINC000449357464 240396850 /nfs/dbraw/zinc/39/68/50/240396850.db2.gz DKSKODXDUISFDS-INIZCTEOSA-N 1 0 303.402 2.315 10 0 DEAERO COc1cc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc(Br)c1O ZINC000623751171 365161254 /nfs/dbraw/zinc/16/12/54/365161254.db2.gz LNWKRSDXYILHMI-WAAGHKOSSA-N 1 0 316.195 2.024 10 0 DEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000623765049 365166904 /nfs/dbraw/zinc/16/69/04/365166904.db2.gz NAJHECJGHIZNCR-RYUDHWBXSA-N 1 0 320.614 2.342 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCCCO1 ZINC000623853181 365200069 /nfs/dbraw/zinc/20/00/69/365200069.db2.gz PDJXBLUODNPRMP-YTQUADARSA-N 1 0 318.461 2.435 10 0 DEAERO CCN(CC)C(=O)C[C@H](C[NH3+])N(C)Cc1ccc(Cl)cc1 ZINC000091322729 193040755 /nfs/dbraw/zinc/04/07/55/193040755.db2.gz MNXMARGXKCSSKP-OAHLLOKOSA-N 1 0 311.857 2.358 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(c2cc(Br)ccc2CO)C1 ZINC000091394005 193050732 /nfs/dbraw/zinc/05/07/32/193050732.db2.gz XPAPTZUHCCEARR-CYBMUJFWSA-N 1 0 313.239 2.472 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)c1ccccc1OC(F)(F)F ZINC000091523857 193068890 /nfs/dbraw/zinc/06/88/90/193068890.db2.gz RVAKGWLSHCCQIJ-CYBMUJFWSA-N 1 0 307.312 2.419 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000091480041 193062139 /nfs/dbraw/zinc/06/21/39/193062139.db2.gz JBXZCGVLMJQBPQ-CMPLNLGQSA-N 1 0 302.296 2.187 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])C1(N(C)C)CCC(C)CC1 ZINC000091648700 193084602 /nfs/dbraw/zinc/08/46/02/193084602.db2.gz AGPGPMBEBUASPK-SHARSMKWSA-N 1 0 304.500 2.039 10 0 DEAERO c1cc(CN2CCO[C@@H](C[NH2+][C@@H]3CCCC34CC4)C2)ccn1 ZINC000624262605 365359608 /nfs/dbraw/zinc/35/96/08/365359608.db2.gz SVBXDAJKDNGXHT-DLBZAZTESA-N 1 0 301.434 2.205 10 0 DEAERO COc1ccc(Cl)cc1CC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714083 193096265 /nfs/dbraw/zinc/09/62/65/193096265.db2.gz MACBGDHFWXRMKW-CJNGLKHVSA-N 1 0 309.793 2.323 10 0 DEAERO O=C1N(Cc2ccc(Cl)cc2Cl)C[C@@H]2C[NH2+]CCN12 ZINC000091750636 193101710 /nfs/dbraw/zinc/10/17/10/193101710.db2.gz HQDBIQLONYDZJS-NSHDSACASA-N 1 0 300.189 2.203 10 0 DEAERO CCN(CC)C1([C@H](CCCS(=O)(=O)CC)[NH2+]C)CCCC1 ZINC000091639409 193082150 /nfs/dbraw/zinc/08/21/50/193082150.db2.gz VFDUAELTRPCKPH-HNNXBMFYSA-N 1 0 318.527 2.444 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)C1(N2CCCC2)CCCC1 ZINC000091640835 193082360 /nfs/dbraw/zinc/08/23/60/193082360.db2.gz UTDZOTKREHGNDR-OAHLLOKOSA-N 1 0 316.511 2.198 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000624407027 365413161 /nfs/dbraw/zinc/41/31/61/365413161.db2.gz RNDFRSXXTLOXNC-PWSUYJOCSA-N 1 0 302.827 2.067 10 0 DEAERO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)cc(Cl)c2)C[NH2+]1 ZINC000624406899 365413604 /nfs/dbraw/zinc/41/36/04/365413604.db2.gz OKDIPRYUFUMFBV-LDYMZIIASA-N 1 0 323.245 2.412 10 0 DEAERO C[C@](O)(c1cccc(Br)c1)[C@@]1(C[NH3+])CCOC1 ZINC000091905855 193124826 /nfs/dbraw/zinc/12/48/26/193124826.db2.gz SSPCGDRENFCMKS-QWHCGFSZSA-N 1 0 300.196 2.022 10 0 DEAERO CNC(=O)CCC[N@H+](C)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091982482 193136356 /nfs/dbraw/zinc/13/63/56/193136356.db2.gz KLDUAEKKIPJOPR-CQSZACIVSA-N 1 0 323.824 2.291 10 0 DEAERO Cc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(C)c1 ZINC000092044873 193146090 /nfs/dbraw/zinc/14/60/90/193146090.db2.gz BZPUNDLOPYYMGE-QGZVFWFLSA-N 1 0 322.474 2.303 10 0 DEAERO COc1cccc([C@H]2CN(C(C)C)C(=O)[C@@]23CCC[NH2+]C3)c1 ZINC000216088987 201480880 /nfs/dbraw/zinc/48/08/80/201480880.db2.gz XKUQOXAVNQREJU-SJLPKXTDSA-N 1 0 302.418 2.399 10 0 DEAERO CO[C@H]1CN(C(=O)c2ccc(Cl)cc2F)[C@@](C)(C[NH3+])C1 ZINC000630368445 367614262 /nfs/dbraw/zinc/61/42/62/367614262.db2.gz SDUYYRZKDDZVKD-QMTHXVAHSA-N 1 0 300.761 2.057 10 0 DEAERO C[C@@H]1C[NH+](CCC(=O)Nc2ccc(C(N)=S)cc2)C[C@H]1C ZINC000092085468 193155079 /nfs/dbraw/zinc/15/50/79/193155079.db2.gz AAMNQHCBMZMWFF-VXGBXAGGSA-N 1 0 305.447 2.237 10 0 DEAERO c1c(C[C@@H]2CCC[NH2+]C2)nnn1Cc1ccc2ncccc2c1 ZINC000630597923 367749406 /nfs/dbraw/zinc/74/94/06/367749406.db2.gz ODQDUIVXQKRXHT-AWEZNQCLSA-N 1 0 307.401 2.417 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH2+]C3CC3)cc2)C[C@H]1C ZINC000092091457 193155774 /nfs/dbraw/zinc/15/57/74/193155774.db2.gz DRHNXUBHWAZTJK-BETUJISGSA-N 1 0 308.447 2.215 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cn1C(C)C ZINC000092113921 193161767 /nfs/dbraw/zinc/16/17/67/193161767.db2.gz KWXAATXKECGGAJ-CHWSQXEVSA-N 1 0 313.467 2.065 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)c(F)c1 ZINC000092115538 193163602 /nfs/dbraw/zinc/16/36/02/193163602.db2.gz ZPYCFWQRLMPUPE-UHFFFAOYSA-N 1 0 314.426 2.498 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC(C)(C)CC2)c(F)c1 ZINC000092116128 193164168 /nfs/dbraw/zinc/16/41/68/193164168.db2.gz RGQSFINHUQZARA-UHFFFAOYSA-N 1 0 314.426 2.356 10 0 DEAERO C[NH2+]C[C@H](C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000092136230 193167107 /nfs/dbraw/zinc/16/71/07/193167107.db2.gz OIZNCYJOTZJSCI-VIFPVBQESA-N 1 0 310.419 2.208 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])C(C)(C)OC)c1Br ZINC000092138734 193167652 /nfs/dbraw/zinc/16/76/52/193167652.db2.gz SYOMQVIEBVJIHO-SNVBAGLBSA-N 1 0 304.232 2.040 10 0 DEAERO FC1(F)C[C@H]1OCC[NH2+]Cc1ccncc1Br ZINC000631171243 368059540 /nfs/dbraw/zinc/05/95/40/368059540.db2.gz JGROXRTZPXLGOH-SNVBAGLBSA-N 1 0 307.138 2.358 10 0 DEAERO c1cc(C[NH2+]CCCOC[C@@H]2CCOC2)n(CC2CCC2)n1 ZINC000631078612 368005803 /nfs/dbraw/zinc/00/58/03/368005803.db2.gz VLUBBADZTYFDTJ-INIZCTEOSA-N 1 0 307.438 2.216 10 0 DEAERO c1c(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2)nnn1C[C@H]1CCOC1 ZINC000631126629 368032239 /nfs/dbraw/zinc/03/22/39/368032239.db2.gz OIQHPCJLZVKBQB-DJIMGWMZSA-N 1 0 312.417 2.350 10 0 DEAERO c1nc2nc(-c3ccccc3)cc(N3CC([NH+]4CCCC4)C3)n2n1 ZINC000631353169 368170664 /nfs/dbraw/zinc/17/06/64/368170664.db2.gz JQTSAZWRNQNEGZ-UHFFFAOYSA-N 1 0 320.400 2.076 10 0 DEAERO c1nn(-c2ccccc2)c2ncnc(N3CC([NH+]4CCCC4)C3)c12 ZINC000631353181 368170790 /nfs/dbraw/zinc/17/07/90/368170790.db2.gz KCDCPKRCQOKRRN-UHFFFAOYSA-N 1 0 320.400 2.100 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc(Cl)c2-n2ccnc2)C1 ZINC000092202399 193172740 /nfs/dbraw/zinc/17/27/40/193172740.db2.gz PQENOCWYAPSSQF-GHMZBOCLSA-N 1 0 302.765 2.368 10 0 DEAERO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCO3)C1(C)C ZINC000451488786 243025094 /nfs/dbraw/zinc/02/50/94/243025094.db2.gz NAUXMJBDRYHZPB-RHSMWYFYSA-N 1 0 320.389 2.147 10 0 DEAERO CC(C)(C(N)=S)[NH+]1CCN(CCSc2ccccc2)CC1 ZINC000092261142 193181884 /nfs/dbraw/zinc/18/18/84/193181884.db2.gz PFMKGTUORUCYGV-UHFFFAOYSA-N 1 0 323.531 2.461 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)NC2(C[NH3+])CCCCC2)s1 ZINC000631979492 368479015 /nfs/dbraw/zinc/47/90/15/368479015.db2.gz IVLMCFSNSSDLFE-UHFFFAOYSA-N 1 0 302.465 2.305 10 0 DEAERO c1ccc(-n2nnnc2CC[N@@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000451645297 243255618 /nfs/dbraw/zinc/25/56/18/243255618.db2.gz CJVHHITYGLRPTQ-OAHLLOKOSA-N 1 0 315.446 2.032 10 0 DEAERO O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631995996 368484899 /nfs/dbraw/zinc/48/48/99/368484899.db2.gz SSDJUAZBXMIRIY-YPMHNXCESA-N 1 0 314.838 2.103 10 0 DEAERO COCC[NH2+]C[C@@H]1CCCN1C[C@@H]1Cc2ccccc2S1 ZINC000092263088 193182896 /nfs/dbraw/zinc/18/28/96/193182896.db2.gz SQSRFLNZDBTDPH-HOTGVXAUSA-N 1 0 306.475 2.404 10 0 DEAERO CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1cc(Cl)ccc1N ZINC000092964988 193189699 /nfs/dbraw/zinc/18/96/99/193189699.db2.gz BHRKEKWZTXRMOA-JTQLQIEISA-N 1 0 313.829 2.342 10 0 DEAERO Cc1ccc(C[C@H]2CCCN2C(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261638894 203085336 /nfs/dbraw/zinc/08/53/36/203085336.db2.gz DJTCUXZJQRHGTC-ZACQAIPSSA-N 1 0 302.418 2.035 10 0 DEAERO O=C(C[C@H]1COCC[NH2+]1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000262165241 203215820 /nfs/dbraw/zinc/21/58/20/203215820.db2.gz JNOSYACTMZZSSC-HIFRSBDPSA-N 1 0 308.809 2.034 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ncnc2c1ncn2C ZINC000678832261 541772459 /nfs/dbraw/zinc/77/24/59/541772459.db2.gz DSPDAXPESTZCME-ZDUSSCGKSA-N 1 0 310.405 2.296 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2coc(Br)c2)C1 ZINC000262321626 203260812 /nfs/dbraw/zinc/26/08/12/203260812.db2.gz RQGMBJCGPOITDA-RKDXNWHRSA-N 1 0 301.184 2.242 10 0 DEAERO COCC[NH2+]C[C@@H](Cc1ncnn1C)c1ccccc1Cl ZINC000093179630 193212003 /nfs/dbraw/zinc/21/20/03/193212003.db2.gz ZUVRNGYVGSELJH-GFCCVEGCSA-N 1 0 308.813 2.031 10 0 DEAERO O=C(Nc1ccc(OCC2CCCCC2)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262526592 203320354 /nfs/dbraw/zinc/32/03/54/203320354.db2.gz OTWZMXAUQMVZPF-WBVHZDCISA-N 1 0 318.417 2.307 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000093252450 193220516 /nfs/dbraw/zinc/22/05/16/193220516.db2.gz YBWPVCVFSVOYRG-LLVKDONJSA-N 1 0 302.415 2.341 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(CC)C[C@H](C)CC)c[nH]1 ZINC000093265793 193222646 /nfs/dbraw/zinc/22/26/46/193222646.db2.gz HGRHJELFEOPGMB-GFCCVEGCSA-N 1 0 301.456 2.181 10 0 DEAERO C[C@@H](Cc1cccs1)[N@H+](C)Cc1ccc(C(N)=O)cc1N ZINC000093266225 193222835 /nfs/dbraw/zinc/22/28/35/193222835.db2.gz CMQUBNDIVXXMCA-NSHDSACASA-N 1 0 303.431 2.492 10 0 DEAERO CCOC(OCC)[C@@H](Cc1c(Cl)c(C)nn1CC)[NH2+]C ZINC000093306918 193227748 /nfs/dbraw/zinc/22/77/48/193227748.db2.gz IIDXPSKLKNKRCM-LLVKDONJSA-N 1 0 303.834 2.394 10 0 DEAERO CCC(CC)N(CC(C)C)S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000093326637 193232933 /nfs/dbraw/zinc/23/29/33/193232933.db2.gz DLAHSOTUKPMUMD-OAHLLOKOSA-N 1 0 319.515 2.191 10 0 DEAERO CCOC(CNC(=O)CC[C@H](CC[NH3+])C(C)(C)C)OCC ZINC000093447709 193252842 /nfs/dbraw/zinc/25/28/42/193252842.db2.gz KMCDPRSNVNUINT-CYBMUJFWSA-N 1 0 302.459 2.293 10 0 DEAERO NC1=[NH+]C[C@H]([C@H]2CCCOC2)N1c1ccccc1Br ZINC000093382537 193241276 /nfs/dbraw/zinc/24/12/76/193241276.db2.gz JQRLXFVDXYVJFK-GXFFZTMASA-N 1 0 324.222 2.379 10 0 DEAERO C[C@@H](C[C@H]1CCCC[NH2+]1)Nc1ccccc1NS(C)(=O)=O ZINC000093485856 193258855 /nfs/dbraw/zinc/25/88/55/193258855.db2.gz HJUUEEGJZFHUMP-QWHCGFSZSA-N 1 0 311.451 2.391 10 0 DEAERO [NH3+][C@]1(C(=O)[O-])CCC[C@H]1CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000093596130 193270576 /nfs/dbraw/zinc/27/05/76/193270576.db2.gz YPEPREGFJDGMIH-GMXVVIOVSA-N 1 0 308.344 2.233 10 0 DEAERO [NH3+][C@]1(C(=O)[O-])CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000093596128 193270854 /nfs/dbraw/zinc/27/08/54/193270854.db2.gz YPEPREGFJDGMIH-NTZNESFSSA-N 1 0 308.344 2.233 10 0 DEAERO CC[NH2+][C@]1(CO)CCC[C@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093618959 193275351 /nfs/dbraw/zinc/27/53/51/193275351.db2.gz TZSQLCDJZPUSBC-AAEUAGOBSA-N 1 0 305.344 2.433 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@@H]1CCn1cc(C(F)(F)F)cn1 ZINC000093618554 193275768 /nfs/dbraw/zinc/27/57/68/193275768.db2.gz SVJCPJOCFRRDSA-DGCLKSJQSA-N 1 0 305.344 2.433 10 0 DEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1nncs1 ZINC000093629380 193275862 /nfs/dbraw/zinc/27/58/62/193275862.db2.gz UBGXQSQOLYEPNS-ZWNOBZJWSA-N 1 0 314.480 2.043 10 0 DEAERO Cc1nn(CC[C@@H]2CCC[C@@]2(O)C[NH3+])c(C)c1Br ZINC000093627279 193276123 /nfs/dbraw/zinc/27/61/23/193276123.db2.gz ZTDPSPQIZQBRBD-WCQYABFASA-N 1 0 316.243 2.142 10 0 DEAERO CCOC(=O)[C@]1([NH3+])CCC[C@H]1CCSc1ncc(C)cn1 ZINC000093630170 193276421 /nfs/dbraw/zinc/27/64/21/193276421.db2.gz PJKBYOVYNPXKEF-WFASDCNBSA-N 1 0 309.435 2.328 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCO[C@@H](C)C(F)(F)F ZINC000093626328 193276879 /nfs/dbraw/zinc/27/68/79/193276879.db2.gz KIMVFMXAYBEHQW-DMDPSCGWSA-N 1 0 310.360 2.368 10 0 DEAERO CC1CCC(CC[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093696981 193291778 /nfs/dbraw/zinc/29/17/78/193291778.db2.gz ILYLRGFLBLWRPC-UYSNPLJNSA-N 1 0 316.511 2.464 10 0 DEAERO CC(C)(C)CC(C)(C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696688 193291847 /nfs/dbraw/zinc/29/18/47/193291847.db2.gz LWVTVPHAXUBUFY-CYBMUJFWSA-N 1 0 304.500 2.462 10 0 DEAERO CC[NH2+][C@@H](CC[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093697957 193292424 /nfs/dbraw/zinc/29/24/24/193292424.db2.gz AGSQVGVRVQOJBM-KBPBESRZSA-N 1 0 304.500 2.462 10 0 DEAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698065 193292941 /nfs/dbraw/zinc/29/29/41/193292941.db2.gz VNDTUFDJJBLWST-CAOSSQGBSA-N 1 0 316.511 2.462 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1C ZINC000093699971 193293987 /nfs/dbraw/zinc/29/39/87/193293987.db2.gz XSGFPHRXAUAKBC-GOEBONIOSA-N 1 0 310.463 2.317 10 0 DEAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C)c1 ZINC000093699978 193294088 /nfs/dbraw/zinc/29/40/88/193294088.db2.gz MXBOXJMXUSXYRN-ZBFHGGJFSA-N 1 0 310.463 2.317 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1c1nc2cc(F)c(Br)cc2[nH]1 ZINC000093728935 193298628 /nfs/dbraw/zinc/29/86/28/193298628.db2.gz GUJMLGMVKXZIEA-KGFZYKRKSA-N 1 0 314.158 2.166 10 0 DEAERO CCOC(=O)[C@@]1(NC)CCC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756581 193302138 /nfs/dbraw/zinc/30/21/38/193302138.db2.gz RCSDVJSNLJLJBI-DGCLKSJQSA-N 1 0 310.360 2.335 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2ncc(C)cn2)C1 ZINC000093778941 193305816 /nfs/dbraw/zinc/30/58/16/193305816.db2.gz ORBNLODCPAVHRW-WFASDCNBSA-N 1 0 308.451 2.043 10 0 DEAERO C[NH2+][C@]1(CO)CCC[C@H](n2nc(C)c(Br)c2C)C1 ZINC000093783890 193307468 /nfs/dbraw/zinc/30/74/68/193307468.db2.gz AVJHFLKLDDAGSS-WCQYABFASA-N 1 0 316.243 2.328 10 0 DEAERO COCC[NH2+]CCN(C)Cc1cc(F)cc(Br)c1 ZINC000093993350 193336398 /nfs/dbraw/zinc/33/63/98/193336398.db2.gz FMGWAQGBPUYYLH-UHFFFAOYSA-N 1 0 319.218 2.256 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(C(=O)NC)c(Cl)c1)[NH+](C)C ZINC000094032954 193339678 /nfs/dbraw/zinc/33/96/78/193339678.db2.gz BQXCGWUYRUJDBB-CYBMUJFWSA-N 1 0 311.813 2.368 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2ccc(C(F)(F)F)cn2)C1 ZINC000093850376 193317445 /nfs/dbraw/zinc/31/74/45/193317445.db2.gz LTPDUIHTWUPMQZ-SKDRFNHKSA-N 1 0 319.352 2.189 10 0 DEAERO CCC[NH2+][C@]1(CO)CC[C@H](Sc2nnc3ccccn32)C1 ZINC000093859907 193319347 /nfs/dbraw/zinc/31/93/47/193319347.db2.gz FHKJIVYBEYGGKL-SWLSCSKDSA-N 1 0 306.435 2.105 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(OC)cc1 ZINC000093878259 193322089 /nfs/dbraw/zinc/32/20/89/193322089.db2.gz NYPMHUIXOWJFQV-UHFFFAOYSA-N 1 0 314.451 2.081 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)[C@@H]1CN(C)CCN1C ZINC000093894727 193324533 /nfs/dbraw/zinc/32/45/33/193324533.db2.gz KLMNNUVZFXBCAA-GJZGRUSLSA-N 1 0 316.276 2.370 10 0 DEAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CN(C)CCN1C ZINC000093894635 193324633 /nfs/dbraw/zinc/32/46/33/193324633.db2.gz ZSMHPYVTHVDKNE-KBPBESRZSA-N 1 0 302.249 2.500 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)[C@@H]1CN(C)CCN1C ZINC000093894728 193325021 /nfs/dbraw/zinc/32/50/21/193325021.db2.gz KLMNNUVZFXBCAA-CABCVRRESA-N 1 0 316.276 2.370 10 0 DEAERO CC[NH2+][C@H](c1ccc(F)c(F)c1F)[C@H]1CN(C)CCN1C ZINC000093895190 193325560 /nfs/dbraw/zinc/32/55/60/193325560.db2.gz NDHAIZIMSWVYQB-IUODEOHRSA-N 1 0 301.356 2.000 10 0 DEAERO CCC[NH2+][C@H](Cc1cccc(Cl)c1)[C@H]1CN(C)CCN1C ZINC000093895950 193325835 /nfs/dbraw/zinc/32/58/35/193325835.db2.gz QCMUFFBXXROKTG-IAGOWNOFSA-N 1 0 309.885 2.497 10 0 DEAERO C[NH+](C)C(C)(C)COc1nc2c(cc1C(N)=S)CCCC2 ZINC000093955113 193331757 /nfs/dbraw/zinc/33/17/57/193331757.db2.gz YYJUMFYYSXJTKQ-UHFFFAOYSA-N 1 0 307.463 2.314 10 0 DEAERO CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)N(C)CCS(C)(=O)=O ZINC000094298126 193358159 /nfs/dbraw/zinc/35/81/59/193358159.db2.gz XXDIAOCQOMQOJC-GDBMZVCRSA-N 1 0 312.479 2.092 10 0 DEAERO CCC(C)(C)NC(=O)COc1c(F)cc(CC[NH3+])cc1F ZINC000094349785 193363059 /nfs/dbraw/zinc/36/30/59/193363059.db2.gz OMJCJHVNQSCNKH-UHFFFAOYSA-N 1 0 300.349 2.150 10 0 DEAERO CC(C)N(C)C(=O)COc1c(F)cc(C[C@@H](C)[NH3+])cc1F ZINC000094350113 193363124 /nfs/dbraw/zinc/36/31/24/193363124.db2.gz BXLMUFHSZPWRHD-SNVBAGLBSA-N 1 0 300.349 2.100 10 0 DEAERO CC(C)CNC(=O)COc1c(F)cc(C[C@@H](C)[NH3+])cc1F ZINC000094350277 193363257 /nfs/dbraw/zinc/36/32/57/193363257.db2.gz LKARBGKKJLPFNY-SNVBAGLBSA-N 1 0 300.349 2.006 10 0 DEAERO CC[C@@H](C)NC(=O)COc1c(F)cc(C[C@@H](C)[NH3+])cc1F ZINC000094350319 193363356 /nfs/dbraw/zinc/36/33/56/193363356.db2.gz NZFNZKRPMUSIMP-NXEZZACHSA-N 1 0 300.349 2.148 10 0 DEAERO CC[C@H](C)NC(=O)COc1c(F)cc(C[C@@H](C)[NH3+])cc1F ZINC000094350320 193363727 /nfs/dbraw/zinc/36/37/27/193363727.db2.gz NZFNZKRPMUSIMP-ZJUUUORDSA-N 1 0 300.349 2.148 10 0 DEAERO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000094034119 193340082 /nfs/dbraw/zinc/34/00/82/193340082.db2.gz FYXBVUYQEZTXHJ-CYBMUJFWSA-N 1 0 318.417 2.323 10 0 DEAERO CC[NH2+][C@@H](Cc1ncnn1C)c1ncc(Cl)cc1Cl ZINC000094201096 193348440 /nfs/dbraw/zinc/34/84/40/193348440.db2.gz KLYREMRIVKDHGB-JTQLQIEISA-N 1 0 300.193 2.410 10 0 DEAERO CCC([NH3+])(CC)C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000094243849 193354286 /nfs/dbraw/zinc/35/42/86/193354286.db2.gz HWZUAWGGEMIBAB-UHFFFAOYSA-N 1 0 305.300 2.479 10 0 DEAERO COc1ccc(C[C@H]([NH3+])[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000094641889 193388656 /nfs/dbraw/zinc/38/86/56/193388656.db2.gz GCVRYBBYPSJXFM-BPUTZDHNSA-N 1 0 311.447 2.168 10 0 DEAERO COc1ccc([C@](C)([NH3+])[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000094640181 193389107 /nfs/dbraw/zinc/38/91/07/193389107.db2.gz VVMASFQQYLSIRM-BPUTZDHNSA-N 1 0 311.447 2.473 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CCCCN1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644269 193389785 /nfs/dbraw/zinc/38/97/85/193389785.db2.gz NIPINHGTDODBBG-PMPSAXMXSA-N 1 0 316.511 2.195 10 0 DEAERO CCCc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+][C@@H]2C)cc1 ZINC000094665838 193390503 /nfs/dbraw/zinc/39/05/03/193390503.db2.gz GKVHCPYUUWSSTR-WOSRLPQWSA-N 1 0 310.463 2.446 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000094670424 193390920 /nfs/dbraw/zinc/39/09/20/193390920.db2.gz FGYDPMAZCUCEQA-GMSGAONNSA-N 1 0 319.586 2.015 10 0 DEAERO CC1(C)CSC[C@@H]([NH2+][C@H]2CCCc3c2cnn3CCO)C1 ZINC000094488158 193372865 /nfs/dbraw/zinc/37/28/65/193372865.db2.gz VHFAMIXDZQIRNL-JSGCOSHPSA-N 1 0 309.479 2.374 10 0 DEAERO Cc1cccc(N2CCN([C@@]3(C[NH3+])CS[C@@H](C)C3)CC2)c1 ZINC000094473258 193372974 /nfs/dbraw/zinc/37/29/74/193372974.db2.gz HYCXEYWJXSVGIA-RDJZCZTQSA-N 1 0 305.491 2.340 10 0 DEAERO [NH3+]CCc1nc(-c2nc([C@@H]3CSCCS3)no2)cs1 ZINC000094495879 193373880 /nfs/dbraw/zinc/37/38/80/193373880.db2.gz BRBOZAUZKFTFPG-QMMMGPOBSA-N 1 0 314.461 2.215 10 0 DEAERO [NH3+][C@H]([C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CSCCS1 ZINC000094497401 193374661 /nfs/dbraw/zinc/37/46/61/193374661.db2.gz MBRDKRQJTRZOGE-FRRDWIJNSA-N 1 0 303.493 2.138 10 0 DEAERO [NH3+]CCc1cn(CCOc2cccc(Br)c2)cn1 ZINC000094529561 193376751 /nfs/dbraw/zinc/37/67/51/193376751.db2.gz SXQWGCXLVTVSFI-UHFFFAOYSA-N 1 0 310.195 2.226 10 0 DEAERO CCn1cc(Br)cc1C(=O)N1C[C@@H](C)C[C@H]([NH3+])C1 ZINC000094548727 193378838 /nfs/dbraw/zinc/37/88/38/193378838.db2.gz IIURDAKNDBTAEQ-ONGXEEELSA-N 1 0 314.227 2.080 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)c1ccc(C[NH3+])o1 ZINC000094568438 193380724 /nfs/dbraw/zinc/38/07/24/193380724.db2.gz PBBOSRFBLXROHJ-UHFFFAOYSA-N 1 0 308.300 2.169 10 0 DEAERO [NH3+]Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)o1 ZINC000094566707 193380795 /nfs/dbraw/zinc/38/07/95/193380795.db2.gz FPEXGCPEVMGTBF-UHFFFAOYSA-N 1 0 303.343 2.035 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cc(Br)ccc1O ZINC000094573701 193381432 /nfs/dbraw/zinc/38/14/32/193381432.db2.gz GJFNEJDPIJYBLH-WCBMZHEXSA-N 1 0 313.195 2.468 10 0 DEAERO O=C(c1cc(C(F)(F)F)ccc1F)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000094597049 193382675 /nfs/dbraw/zinc/38/26/75/193382675.db2.gz ORUZPUXMIIPRMK-RKDXNWHRSA-N 1 0 302.271 2.136 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1cccc(C(F)(F)F)c1N ZINC000094598799 193383115 /nfs/dbraw/zinc/38/31/15/193383115.db2.gz CKTXVKPAXDJCHJ-UHFFFAOYSA-N 1 0 303.328 2.359 10 0 DEAERO C[C@H](CC[NH+](C)C)Nc1nc2ccc(Br)cn2n1 ZINC000094604638 193384061 /nfs/dbraw/zinc/38/40/61/193384061.db2.gz UYYKWLQSMWMIDG-SECBINFHSA-N 1 0 312.215 2.244 10 0 DEAERO Clc1ccc2nc(N3CCC([C@@H]4CCC[NH2+]4)CC3)nn2c1 ZINC000094608012 193384506 /nfs/dbraw/zinc/38/45/06/193384506.db2.gz DUZJJJHQVGZJCA-ZDUSSCGKSA-N 1 0 305.813 2.351 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCCN1c1nc2c(Br)cccn2n1 ZINC000094607999 193384607 /nfs/dbraw/zinc/38/46/07/193384607.db2.gz WERLKBXPUZCJJQ-MWLCHTKSSA-N 1 0 324.226 2.198 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1cccc(F)c1 ZINC000094624791 193385200 /nfs/dbraw/zinc/38/52/00/193385200.db2.gz RMIQSBUAELYIJK-JKSUJKDBSA-N 1 0 305.374 2.485 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NCc2cscc2C)cs1 ZINC000094887055 193405163 /nfs/dbraw/zinc/40/51/63/193405163.db2.gz RZLYLHPBDZXPSC-UHFFFAOYSA-N 1 0 316.473 2.316 10 0 DEAERO Cc1ccc([C@@H](C)NS(=O)(=O)C[C@H]2CCC[NH2+]C2)cc1F ZINC000094962590 193409992 /nfs/dbraw/zinc/40/99/92/193409992.db2.gz SCEDXJGDUKEVDS-OLZOCXBDSA-N 1 0 314.426 2.114 10 0 DEAERO CC[NH2+][C@@H](Cc1cccc(F)c1F)C(C)(C)S(C)(=O)=O ZINC000094713184 193393442 /nfs/dbraw/zinc/39/34/42/193393442.db2.gz JFYNGZCJBUXFCH-LBPRGKRZSA-N 1 0 305.390 2.309 10 0 DEAERO CS(=O)(=O)c1ccc2[nH]c([C@H]3CCCCC[C@H]3[NH3+])nc2c1 ZINC000094745884 193394675 /nfs/dbraw/zinc/39/46/75/193394675.db2.gz SQDVBSMXTZZOEB-NWDGAFQWSA-N 1 0 307.419 2.341 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCC(CC)(CC)C2)c[nH]1 ZINC000094815056 193399864 /nfs/dbraw/zinc/39/98/64/193399864.db2.gz WGFJKUIUQRFVNJ-UHFFFAOYSA-N 1 0 313.467 2.325 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CC(=O)c2ccc[nH]2)C1 ZINC000095085325 193419439 /nfs/dbraw/zinc/41/94/39/193419439.db2.gz RSRPECULASGANL-ZDUSSCGKSA-N 1 0 321.421 2.434 10 0 DEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000282457142 217010539 /nfs/dbraw/zinc/01/05/39/217010539.db2.gz STWUUPZVRRSFQH-PRHODGIISA-N 1 0 315.186 2.345 10 0 DEAERO COCCN(Cc1c(C)nn(C)c1C)Cc1ccc(OC)nc1 ZINC000453606590 245214617 /nfs/dbraw/zinc/21/46/17/245214617.db2.gz FGGJTMAYRFKRNG-UHFFFAOYSA-N 1 0 318.421 2.089 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc2nnc(C(C)(C)C)n2n1 ZINC000274877049 212002838 /nfs/dbraw/zinc/00/28/38/212002838.db2.gz GSZXBFADOGPDML-ZDUSSCGKSA-N 1 0 316.453 2.342 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1cccc2nccnc21 ZINC000097217916 193693390 /nfs/dbraw/zinc/69/33/90/193693390.db2.gz UBQKBIHICPVRAF-ZDUSSCGKSA-N 1 0 307.419 2.105 10 0 DEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)c1cc(C)nn1CC ZINC000097217473 193693635 /nfs/dbraw/zinc/69/36/35/193693635.db2.gz AFTGDMKGRQMTQL-AWEZNQCLSA-N 1 0 315.483 2.467 10 0 DEAERO COCC[NH2+]C[C@](C)(O)Cc1ccc(F)cc1Br ZINC000097241424 193698020 /nfs/dbraw/zinc/69/80/20/193698020.db2.gz YUBATDJDNXYXQS-CYBMUJFWSA-N 1 0 320.202 2.118 10 0 DEAERO Cc1cc2cn[nH]c2c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000266078184 205080647 /nfs/dbraw/zinc/08/06/47/205080647.db2.gz MEGWBOWSHZIKEC-GXTWGEPZSA-N 1 0 300.406 2.426 10 0 DEAERO [NH3+][C@H](c1ccc(Br)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161813456 197521097 /nfs/dbraw/zinc/52/10/97/197521097.db2.gz STKHZWFHZLFYLA-LDYMZIIASA-N 1 0 322.199 2.023 10 0 DEAERO CCC[NH2+]Cc1cc(Br)cc(C)c1OCC(N)=O ZINC000160719824 197433973 /nfs/dbraw/zinc/43/39/73/197433973.db2.gz WMJJIZQTCJSZID-UHFFFAOYSA-N 1 0 315.211 2.121 10 0 DEAERO CCN(CC)c1ncc2c(cc(C3CC[NH2+]CC3)[nH]c2=O)n1 ZINC000019526564 182128622 /nfs/dbraw/zinc/12/86/22/182128622.db2.gz QQDWKKIHXQVWHM-UHFFFAOYSA-N 1 0 301.394 2.044 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000019899857 182161813 /nfs/dbraw/zinc/16/18/13/182161813.db2.gz AJAWJYFASSFUOH-JOYOIKCWSA-N 1 0 318.236 2.287 10 0 DEAERO [NH3+]Cc1ccc(CNC(=O)c2ccc(Br)o2)cc1 ZINC000160318754 197399719 /nfs/dbraw/zinc/39/97/19/197399719.db2.gz ZWIFGNRPLFKIBD-UHFFFAOYSA-N 1 0 309.163 2.431 10 0 DEAERO CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000020189134 182195330 /nfs/dbraw/zinc/19/53/30/182195330.db2.gz OVQBGEPCEUUSNI-UHFFFAOYSA-N 1 0 308.378 2.105 10 0 DEAERO Cn1cc([C@H](C[NH3+])Oc2cc(F)ccc2Br)cn1 ZINC000160179036 197391230 /nfs/dbraw/zinc/39/12/30/197391230.db2.gz VDWRMHKVNXTJGB-LBPRGKRZSA-N 1 0 314.158 2.401 10 0 DEAERO CC[C@H](C)[C@H](CNC(=O)NCCC1CC[NH+](CC)CC1)OC ZINC000454658678 246036765 /nfs/dbraw/zinc/03/67/65/246036765.db2.gz QWRYUQJQHQBIEB-HOCLYGCPSA-N 1 0 313.486 2.469 10 0 DEAERO COCC1(CNC(=O)NCC[N@H+]2CC=C(C)CC2)CCCC1 ZINC000454791330 246160433 /nfs/dbraw/zinc/16/04/33/246160433.db2.gz RUOIIBHJZBHRDQ-UHFFFAOYSA-N 1 0 309.454 2.144 10 0 DEAERO CC(C)C[NH2+]CC1CCN(S(=O)(=O)C2CCCC2)CC1 ZINC000097836260 193763831 /nfs/dbraw/zinc/76/38/31/193763831.db2.gz PRVFNGDETXCWGJ-UHFFFAOYSA-N 1 0 302.484 2.216 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cn(-c2cccc(C)c2)nn1 ZINC000101641252 193832075 /nfs/dbraw/zinc/83/20/75/193832075.db2.gz ZSXNYOVOJILCFO-AWEZNQCLSA-N 1 0 315.421 2.036 10 0 DEAERO Cc1nccn1CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000457513839 247844684 /nfs/dbraw/zinc/84/46/84/247844684.db2.gz FILWICFZGNXELR-QGZVFWFLSA-N 1 0 318.465 2.306 10 0 DEAERO CCOc1cc(C[NH3+])cc(Br)c1OCC(C)(C)O ZINC000037712033 182919561 /nfs/dbraw/zinc/91/95/61/182919561.db2.gz XPGPYGYKHHKELH-UHFFFAOYSA-N 1 0 318.211 2.456 10 0 DEAERO CC(C)N(CC[NH2+]C[C@H](O)COCc1cccs1)C(C)C ZINC000037848147 182931935 /nfs/dbraw/zinc/93/19/35/182931935.db2.gz FRMUZDJCECXOHK-HNNXBMFYSA-N 1 0 314.495 2.334 10 0 DEAERO CC[C@H](CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000037851498 182932077 /nfs/dbraw/zinc/93/20/77/182932077.db2.gz JVYIVKWWZCFBIN-ZJUUUORDSA-N 1 0 308.205 2.094 10 0 DEAERO COC(=O)CC[C@@H]([NH3+])c1ccc(OC)cc1Br ZINC000037641289 182915717 /nfs/dbraw/zinc/91/57/17/182915717.db2.gz SKLLKGOHTCMBIS-LLVKDONJSA-N 1 0 302.168 2.411 10 0 DEAERO CC(C)C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000037946316 182942151 /nfs/dbraw/zinc/94/21/51/182942151.db2.gz MQCZNYXTMGGVMO-LLVKDONJSA-N 1 0 303.175 2.360 10 0 DEAERO O=C(Nc1ccccc1Cl)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042914 182978474 /nfs/dbraw/zinc/97/84/74/182978474.db2.gz ZRPMXMNSJREWAF-OAHLLOKOSA-N 1 0 307.825 2.495 10 0 DEAERO CCn1cc(Br)cc1C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038048799 182981247 /nfs/dbraw/zinc/98/12/47/182981247.db2.gz YBEWIWBKQJNKKD-MNOVXSKESA-N 1 0 314.227 2.270 10 0 DEAERO CC[NH+](CC)CCNC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489587628 248845272 /nfs/dbraw/zinc/84/52/72/248845272.db2.gz QLRXZEHBZFCHLW-UHFFFAOYSA-N 1 0 316.405 2.002 10 0 DEAERO C[C@H]1C(=O)[C@@]23C[C@@]14C=CC[N@@H+]1CC[C@@]2(c2ccccc2NC3=O)[C@@H]14 ZINC000038846721 183011389 /nfs/dbraw/zinc/01/13/89/183011389.db2.gz RVVXEECWQBKQNP-DJKGFLTMSA-N 1 0 320.392 2.116 10 0 biogenic DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000040636053 183112498 /nfs/dbraw/zinc/11/24/98/183112498.db2.gz OOSDKIYWFIHCQV-KCPJHIHWSA-N 1 0 308.809 2.380 10 0 DEAERO COc1ccc([C@@H](CNC(=O)N(C)C)[NH+]2CCCC2)cc1OC ZINC000040616573 183109536 /nfs/dbraw/zinc/10/95/36/183109536.db2.gz DJIDMZMGQNCGOE-CQSZACIVSA-N 1 0 321.421 2.112 10 0 DEAERO C[C@H]1CC[N@H+](CCCC(=O)Nc2ccccc2C(N)=S)C1 ZINC000040718319 183123960 /nfs/dbraw/zinc/12/39/60/183123960.db2.gz QLKHGXOFNDIISB-LBPRGKRZSA-N 1 0 305.447 2.381 10 0 DEAERO CCS(=O)(=O)c1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040747261 183128766 /nfs/dbraw/zinc/12/87/66/183128766.db2.gz GSNTYHUXTMDIRB-NNQSOWQGSA-N 1 0 308.447 2.199 10 0 DEAERO O=C(NCc1cc(Br)ccc1F)[C@H]1CCCC[NH2+]1 ZINC000041069509 183162532 /nfs/dbraw/zinc/16/25/32/183162532.db2.gz VXUOJKJJLCYFGL-GFCCVEGCSA-N 1 0 315.186 2.347 10 0 DEAERO O=C1c2ccc(Br)cc2C(=O)N1CCC[NH2+]C1CC1 ZINC000041157689 183179504 /nfs/dbraw/zinc/17/95/04/183179504.db2.gz DXQYGHQWEYKYBU-UHFFFAOYSA-N 1 0 323.190 2.187 10 0 DEAERO COC(=O)Cc1c(C)[nH+]c2ccc(F)cc2c1NC[C@@H](C)O ZINC000041473551 183193560 /nfs/dbraw/zinc/19/35/60/183193560.db2.gz VHPCKEKCCKDJEO-SECBINFHSA-N 1 0 306.337 2.191 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccccc1SC ZINC000041604569 183209349 /nfs/dbraw/zinc/20/93/49/183209349.db2.gz ORWATPZWZQXJGQ-GFCCVEGCSA-N 1 0 323.462 2.194 10 0 DEAERO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000042166389 183238164 /nfs/dbraw/zinc/23/81/64/183238164.db2.gz CQSAWNFSMRITIL-LLVKDONJSA-N 1 0 309.797 2.122 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](CN(C)Cc2cc(Br)cs2)C1 ZINC000042402418 183264657 /nfs/dbraw/zinc/26/46/57/183264657.db2.gz XXUVYBKOYMNFGW-QWRGUYRKSA-N 1 0 319.268 2.319 10 0 DEAERO CCN(C)C(=O)COc1c(Br)cccc1C[NH2+]C ZINC000042411529 183265533 /nfs/dbraw/zinc/26/55/33/183265533.db2.gz IZPBASKVUHMSLB-UHFFFAOYSA-N 1 0 315.211 2.026 10 0 DEAERO COCCCN(CCOC)[C@H](C[NH3+])c1cc(C)sc1C ZINC000042420834 183267705 /nfs/dbraw/zinc/26/77/05/183267705.db2.gz BPHDXFPXHOWFDJ-OAHLLOKOSA-N 1 0 300.468 2.350 10 0 DEAERO COCCCN(CCOC)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042421001 183268056 /nfs/dbraw/zinc/26/80/56/183268056.db2.gz AUOGKWAMCOZNSG-OAHLLOKOSA-N 1 0 300.830 2.325 10 0 DEAERO CCN(C[C@H](C)C[NH3+])C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000042441499 183270013 /nfs/dbraw/zinc/27/00/13/183270013.db2.gz HSSSEGVWSHLAHG-ZCFIWIBFSA-N 1 0 310.266 2.439 10 0 DEAERO CC(C)[N@H+](CCO)CCCC(=O)Nc1cc(Cl)ccc1N ZINC000042478134 183274239 /nfs/dbraw/zinc/27/42/39/183274239.db2.gz MXWVAAFWUYFNTB-UHFFFAOYSA-N 1 0 313.829 2.344 10 0 DEAERO CCN(CCOC)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042492617 183276152 /nfs/dbraw/zinc/27/61/52/183276152.db2.gz WUGZUNRPLWJHDG-CYBMUJFWSA-N 1 0 301.228 2.417 10 0 DEAERO CCN(CCOC)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000042492682 183276171 /nfs/dbraw/zinc/27/61/71/183276171.db2.gz LYHSTNRBOKFMPB-SNVBAGLBSA-N 1 0 307.257 2.479 10 0 DEAERO CN(Cc1cnn(C)c1)c1cc(Br)ccc1C[NH3+] ZINC000042489137 183276210 /nfs/dbraw/zinc/27/62/10/183276210.db2.gz QIJRLUSSUOLCSS-UHFFFAOYSA-N 1 0 309.211 2.278 10 0 DEAERO CCC[NH2+]Cc1c(Cl)cccc1N(C)C[C@@H](O)COC ZINC000042511610 183278833 /nfs/dbraw/zinc/27/88/33/183278833.db2.gz KGCBKCIETUEFJZ-GFCCVEGCSA-N 1 0 300.830 2.283 10 0 DEAERO CC[NH2+]C1(c2nc3c(s2)CCCC3)CCS(=O)(=O)CC1 ZINC000042333240 183255515 /nfs/dbraw/zinc/25/55/15/183255515.db2.gz JZCVHMLQHFXZQU-UHFFFAOYSA-N 1 0 314.476 2.035 10 0 DEAERO CC(C)C[C@H](C)N(C)S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000042592571 183288430 /nfs/dbraw/zinc/28/84/30/183288430.db2.gz NINPKRLOFYXGKY-ZDUSSCGKSA-N 1 0 310.463 2.387 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000042845193 183313730 /nfs/dbraw/zinc/31/37/30/183313730.db2.gz DAMDYSHRNRWZDE-CYBMUJFWSA-N 1 0 323.437 2.406 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCC(CC(N)=O)CC1 ZINC000043052450 183333119 /nfs/dbraw/zinc/33/31/19/183333119.db2.gz KMZKRSQAJXOESG-BZNIZROVSA-N 1 0 309.841 2.316 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1ccc(F)cc1 ZINC000042944046 183320058 /nfs/dbraw/zinc/32/00/58/183320058.db2.gz YZCCEOGMIXSIOA-GWCFXTLKSA-N 1 0 307.398 2.351 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N(CC(N)=O)C1CCCC1 ZINC000043015971 183327416 /nfs/dbraw/zinc/32/74/16/183327416.db2.gz ABQGUYAHVHPELO-BDJLRTHQSA-N 1 0 309.841 2.458 10 0 DEAERO CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000042782477 183308985 /nfs/dbraw/zinc/30/89/85/183308985.db2.gz VWTYSEKMBIVOJI-UHFFFAOYSA-N 1 0 324.368 2.369 10 0 DEAERO CCCN(CC(=O)N(C)C)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000043253752 183347804 /nfs/dbraw/zinc/34/78/04/183347804.db2.gz JMNCMYQSWLXWPH-SNVBAGLBSA-N 1 0 303.859 2.202 10 0 DEAERO COCCN(CCOC)[C@H](c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000043252903 183347960 /nfs/dbraw/zinc/34/79/60/183347960.db2.gz ZMBAHFNRUOKGAO-GWCFXTLKSA-N 1 0 306.859 2.385 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCC[C@@H]1CO ZINC000043286384 183350866 /nfs/dbraw/zinc/35/08/66/183350866.db2.gz UIPKCNWWYZFGEY-MKPLZMMCSA-N 1 0 319.268 2.356 10 0 DEAERO [NH3+][C@@H](c1cc(Br)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043299753 183351192 /nfs/dbraw/zinc/35/11/92/183351192.db2.gz XLFFUEWUIFDXEZ-RDDDGLTNSA-N 1 0 322.199 2.023 10 0 DEAERO CC(C)N(CCO)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000043287365 183351628 /nfs/dbraw/zinc/35/16/28/183351628.db2.gz PMEYMNWFYROONM-SNVBAGLBSA-N 1 0 307.257 2.213 10 0 DEAERO C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300584 183351973 /nfs/dbraw/zinc/35/19/73/183351973.db2.gz SRQFIDCGFGIHCR-PWSUYJOCSA-N 1 0 318.236 2.144 10 0 DEAERO CCC[NH2+][C@H](c1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000043301494 183352456 /nfs/dbraw/zinc/35/24/56/183352456.db2.gz YKBHTLVXNSYNCV-GDBMZVCRSA-N 1 0 309.431 2.097 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(S(C)(=O)=O)cc1)C(F)(F)F ZINC000043385209 183357939 /nfs/dbraw/zinc/35/79/39/183357939.db2.gz WJGSMWSWCUCONZ-MNOVXSKESA-N 1 0 311.325 2.137 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1nnnn1-c1ccccc1)C(F)(F)F ZINC000043385898 183357948 /nfs/dbraw/zinc/35/79/48/183357948.db2.gz OUGNSQYOZJULFU-VXNVDRBHSA-N 1 0 303.313 2.033 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1nnnn1-c1ccccc1)C(F)(F)F ZINC000043385895 183358378 /nfs/dbraw/zinc/35/83/78/183358378.db2.gz OUGNSQYOZJULFU-APPZFPTMSA-N 1 0 303.313 2.033 10 0 DEAERO CN(C)C(=O)CCCOc1c(Br)cccc1C[NH3+] ZINC000043448086 183364121 /nfs/dbraw/zinc/36/41/21/183364121.db2.gz GFUVFKSEIRYLCT-UHFFFAOYSA-N 1 0 315.211 2.155 10 0 DEAERO C[N@@H+]1CCC[C@@H](Nc2nc3c(cc2C(N)=S)CCCC3)C1 ZINC000043410901 183360087 /nfs/dbraw/zinc/36/00/87/183360087.db2.gz NGVCWPAQYYBGKS-GFCCVEGCSA-N 1 0 304.463 2.101 10 0 DEAERO CCC[NH2+]C1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000045173722 183487710 /nfs/dbraw/zinc/48/77/10/183487710.db2.gz XRVHTYQWNFFEEF-UHFFFAOYSA-N 1 0 310.463 2.054 10 0 DEAERO COC(=O)CCNC(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000102686895 193917039 /nfs/dbraw/zinc/91/70/39/193917039.db2.gz KQIQPMNQDRNLGA-CYBMUJFWSA-N 1 0 314.385 2.170 10 0 DEAERO O=C(c1cc(F)cc2nc[nH]c21)N1CCC([NH+]2CCCC2)CC1 ZINC000104405220 194005244 /nfs/dbraw/zinc/00/52/44/194005244.db2.gz ZJLQWTQMLHDVBC-UHFFFAOYSA-N 1 0 316.380 2.402 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000104866994 194048342 /nfs/dbraw/zinc/04/83/42/194048342.db2.gz BYAHVDHCWSIDGG-AWEZNQCLSA-N 1 0 301.365 2.440 10 0 DEAERO CCn1ccnc1[C@@H]([NH2+]CC1=CCCOC1)C1CCOCC1 ZINC000284706005 218141617 /nfs/dbraw/zinc/14/16/17/218141617.db2.gz KFUSVBCBAFOOHD-INIZCTEOSA-N 1 0 305.422 2.307 10 0 DEAERO CCOc1ccccc1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105176131 194082211 /nfs/dbraw/zinc/08/22/11/194082211.db2.gz JXNQJRDURRLXGV-INIZCTEOSA-N 1 0 317.433 2.465 10 0 DEAERO CO[C@H]1C[C@@H](CN(C)Cc2ncc(-c3ccccc3)o2)[N@H+](C)C1 ZINC000284789370 218179180 /nfs/dbraw/zinc/17/91/80/218179180.db2.gz JMGHCXUAKKNSJL-HOTGVXAUSA-N 1 0 315.417 2.493 10 0 DEAERO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)CCOCC1 ZINC000453132281 284742540 /nfs/dbraw/zinc/74/25/40/284742540.db2.gz YAXQRECAAPHLFR-CHWSQXEVSA-N 1 0 321.421 2.412 10 0 DEAERO Cn1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1nccn1-c1ccccc1 ZINC000284841328 218202113 /nfs/dbraw/zinc/20/21/13/218202113.db2.gz WQNUIQWFEPLYBZ-YJBOKZPZSA-N 1 0 323.400 2.226 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2nc(N)sc2c1 ZINC000105739050 194122955 /nfs/dbraw/zinc/12/29/55/194122955.db2.gz FYPSAJNCUZUWBK-LLVKDONJSA-N 1 0 304.419 2.093 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2csc(C(C)(C)C)n2)C[C@@H]1C ZINC000105823905 194136818 /nfs/dbraw/zinc/13/68/18/194136818.db2.gz VKDLANLKEVWHSE-QWHCGFSZSA-N 1 0 311.495 2.328 10 0 DEAERO FC(F)(F)COCCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805889 194133825 /nfs/dbraw/zinc/13/38/25/194133825.db2.gz CWPKORYMVBZQCU-UHFFFAOYSA-N 1 0 318.343 2.322 10 0 DEAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805357 194134021 /nfs/dbraw/zinc/13/40/21/194134021.db2.gz MUQBKIZAFBITQJ-KGLIPLIRSA-N 1 0 319.453 2.046 10 0 DEAERO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105884561 194157766 /nfs/dbraw/zinc/15/77/66/194157766.db2.gz NDGPRMZWICKVRE-INIZCTEOSA-N 1 0 313.405 2.149 10 0 DEAERO CC1CCC(NC(=O)C[NH+]2CCC(Cn3cccn3)CC2)CC1 ZINC000105886130 194158100 /nfs/dbraw/zinc/15/81/00/194158100.db2.gz ZSJZLYXCCOJJQV-UHFFFAOYSA-N 1 0 318.465 2.290 10 0 DEAERO C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105918458 194168951 /nfs/dbraw/zinc/16/89/51/194168951.db2.gz MXSVPMVVDWDHIW-OAHLLOKOSA-N 1 0 318.465 2.076 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCOc1ccccc1 ZINC000106426238 194212175 /nfs/dbraw/zinc/21/21/75/194212175.db2.gz JMNOSTYHJDFZLQ-SFHVURJKSA-N 1 0 312.413 2.355 10 0 DEAERO COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000106635285 194239157 /nfs/dbraw/zinc/23/91/57/194239157.db2.gz BJXODUXSCMCUDU-NJAFHUGGSA-N 1 0 314.429 2.495 10 0 DEAERO CC(C)CCCOC[C@@H](O)C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555600 183741147 /nfs/dbraw/zinc/74/11/47/183741147.db2.gz WFARCODXNRGBKW-IRXDYDNUSA-N 1 0 302.503 2.366 10 0 DEAERO CCNc1ccc(S(=O)(=O)NCCC[NH+](CC)CC)cc1 ZINC000050640844 183793573 /nfs/dbraw/zinc/79/35/73/183793573.db2.gz CATDWCPDQXCUMU-UHFFFAOYSA-N 1 0 313.467 2.129 10 0 DEAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000109461337 194265705 /nfs/dbraw/zinc/26/57/05/194265705.db2.gz OGSSIBXFSXBASU-CQSZACIVSA-N 1 0 311.495 2.166 10 0 DEAERO CC[C@H](C)Oc1cccc(NS(=O)(=O)CCCC[NH3+])c1 ZINC000051780828 183836862 /nfs/dbraw/zinc/83/68/62/183836862.db2.gz HHXKQTMUJODUOD-LBPRGKRZSA-N 1 0 300.424 2.345 10 0 DEAERO CC(C)[NH2+]C[C@H](Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000052951251 183881755 /nfs/dbraw/zinc/88/17/55/183881755.db2.gz DDMARGCXKOQCJC-OLZOCXBDSA-N 1 0 301.477 2.340 10 0 DEAERO C[NH+](C)[C@@H]1CCN(c2ccc(C(N)=S)c(C(F)(F)F)c2)C1 ZINC000110278255 194319132 /nfs/dbraw/zinc/31/91/32/194319132.db2.gz ADCRYNGFQWOXEA-SNVBAGLBSA-N 1 0 317.380 2.480 10 0 DEAERO c1csc(N2CCN(CC[NH2+]CC3CCCCC3)CC2)n1 ZINC000053345433 183899287 /nfs/dbraw/zinc/89/92/87/183899287.db2.gz DQJPQSHIJSQZRL-UHFFFAOYSA-N 1 0 308.495 2.435 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCNC(=O)C1(C)C ZINC000110653672 194346494 /nfs/dbraw/zinc/34/64/94/194346494.db2.gz AYHPTHQIWDEKKI-ZIAGYGMSSA-N 1 0 309.841 2.329 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCNC(=O)C1(C)C ZINC000110653670 194347600 /nfs/dbraw/zinc/34/76/00/194347600.db2.gz AYHPTHQIWDEKKI-UONOGXRCSA-N 1 0 309.841 2.329 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCNC(=O)[C@@H]1C ZINC000110655174 194347618 /nfs/dbraw/zinc/34/76/18/194347618.db2.gz UVHKUFTZCGEXFG-YGOYTEALSA-N 1 0 301.843 2.000 10 0 DEAERO Nc1cc(CN2CC[NH+](C3CC3)CC2)ccc1Br ZINC000159329575 197345657 /nfs/dbraw/zinc/34/56/57/197345657.db2.gz WMGXEPDXHNCJSM-UHFFFAOYSA-N 1 0 310.239 2.311 10 0 DEAERO COc1ccc(-c2nc(C[C@H](C)[NH3+])no2)cc1Br ZINC000054161539 183927253 /nfs/dbraw/zinc/92/72/53/183927253.db2.gz NJZJUVDMHWEQEE-ZETCQYMHSA-N 1 0 312.167 2.397 10 0 DEAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000110928426 194370645 /nfs/dbraw/zinc/37/06/45/194370645.db2.gz JAAQVUKUXQBPPK-SNVBAGLBSA-N 1 0 323.245 2.366 10 0 DEAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1c(F)cccc1F ZINC000110942439 194372449 /nfs/dbraw/zinc/37/24/49/194372449.db2.gz KTMRIKFXHMUNOW-LLVKDONJSA-N 1 0 318.389 2.118 10 0 DEAERO O[C@@H]1C[NH2+]C[C@H]1Oc1ccc2ccccc2c1Br ZINC000111060083 194387443 /nfs/dbraw/zinc/38/74/43/194387443.db2.gz NGSSPBAKNGGSHC-DGCLKSJQSA-N 1 0 308.175 2.314 10 0 DEAERO CCN[C@](C)(CCC[N@H+](CC)CCOCC)C(=O)OCC ZINC000111122029 194392121 /nfs/dbraw/zinc/39/21/21/194392121.db2.gz GJVSXOPCTFLJKB-MRXNPFEDSA-N 1 0 302.459 2.056 10 0 DEAERO C[N@@H+](CC(=O)Nc1ccc(Cl)c(N)c1)CC1CCOCC1 ZINC000111156554 194396658 /nfs/dbraw/zinc/39/66/58/194396658.db2.gz XCEXEUFPHIZSEK-UHFFFAOYSA-N 1 0 311.813 2.219 10 0 DEAERO CN(CC1CCOCC1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000111159503 194397830 /nfs/dbraw/zinc/39/78/30/194397830.db2.gz CSORCRYAXLSHPF-NSHDSACASA-N 1 0 317.227 2.400 10 0 DEAERO CCCNC(=O)CC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000058115217 184076806 /nfs/dbraw/zinc/07/68/06/184076806.db2.gz HYAQEICSMYIVTJ-UHFFFAOYSA-N 1 0 315.211 2.161 10 0 DEAERO COc1cccc(N2C(=O)C[C@H]([NH2+]CCc3ccccc3)C2=O)c1 ZINC000059516356 184139385 /nfs/dbraw/zinc/13/93/85/184139385.db2.gz AJKNFMNMBXZZAF-KRWDZBQOSA-N 1 0 324.380 2.159 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000061270164 184167361 /nfs/dbraw/zinc/16/73/61/184167361.db2.gz BHEVNYBAVXCJPM-TUAOUCFPSA-N 1 0 310.360 2.381 10 0 DEAERO NC(=[NH2+])c1ccc(CSc2nnc3ccccn32)c(F)c1 ZINC000061406826 184170245 /nfs/dbraw/zinc/17/02/45/184170245.db2.gz TWHSMDVPMYMILM-UHFFFAOYSA-N 1 0 301.350 2.445 10 0 DEAERO CCCn1c(S[C@H](c2ccc(C)cc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594782 184176011 /nfs/dbraw/zinc/17/60/11/184176011.db2.gz KKJOYBLWKSVHJX-AAEUAGOBSA-N 1 0 306.435 2.470 10 0 DEAERO CCn1c(S[C@H](c2ccccc2Cl)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594277 184176234 /nfs/dbraw/zinc/17/62/34/184176234.db2.gz JBQLRGGWEWKKSD-KWQFWETISA-N 1 0 312.826 2.425 10 0 DEAERO CC(C)[NH2+][C@@](C)(C(N)=O)c1ccc(F)c(Br)c1 ZINC000061689267 184183107 /nfs/dbraw/zinc/18/31/07/184183107.db2.gz BKUNDHFEZIJCPT-GFCCVEGCSA-N 1 0 303.175 2.287 10 0 DEAERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(N)cc2Cl)CCCO1 ZINC000061912799 184195408 /nfs/dbraw/zinc/19/54/08/184195408.db2.gz UCFKQPKOUDKKDL-NSHDSACASA-N 1 0 311.813 2.362 10 0 DEAERO [NH3+]CC[C@H](c1ccccc1)N1CCN(CC(F)(F)F)CC1 ZINC000061940944 184197174 /nfs/dbraw/zinc/19/71/74/184197174.db2.gz QPSKVIGYQXRYER-CQSZACIVSA-N 1 0 301.356 2.256 10 0 DEAERO C[C@H]([C@H]([NH3+])c1ccccc1)N1CCN(CC(F)(F)F)CC1 ZINC000061941121 184197200 /nfs/dbraw/zinc/19/72/00/184197200.db2.gz XZULCUSBCSEWFZ-OCCSQVGLSA-N 1 0 301.356 2.255 10 0 DEAERO CCc1nc([C@]2([NH2+]CCOC)CCN(C3CC3)C2)sc1C ZINC000061991994 184200133 /nfs/dbraw/zinc/20/01/33/184200133.db2.gz CRUFDRNWMHYGOK-INIZCTEOSA-N 1 0 309.479 2.313 10 0 DEAERO C[NH+](C)CCCNC(=O)[C@H](Cc1ccccn1)c1ccccc1 ZINC000062066109 184203793 /nfs/dbraw/zinc/20/37/93/184203793.db2.gz KDJWGMFYFZNVBQ-GOSISDBHSA-N 1 0 311.429 2.476 10 0 DEAERO COC(=O)CC[C@@H]([NH3+])Cc1ccc(OC)c(OC(F)F)c1 ZINC000061893056 184193005 /nfs/dbraw/zinc/19/30/05/184193005.db2.gz MXJRYTBUECAGMC-SNVBAGLBSA-N 1 0 303.305 2.120 10 0 DEAERO C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000062187555 184216697 /nfs/dbraw/zinc/21/66/97/184216697.db2.gz DLKNUTNQFFNGKD-ZDUSSCGKSA-N 1 0 304.415 2.055 10 0 DEAERO COCCN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000062210257 184220869 /nfs/dbraw/zinc/22/08/69/184220869.db2.gz RIBLIBKEOYYMCA-DGCLKSJQSA-N 1 0 303.189 2.241 10 0 DEAERO Cc1ncc(C[C@@H](C[NH2+]C(C)C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000062337383 184230955 /nfs/dbraw/zinc/23/09/55/184230955.db2.gz ZJSFWHMJOBRCRJ-OLZOCXBDSA-N 1 0 316.492 2.043 10 0 DEAERO COCC[NH2+]Cc1ccc(OCCOCC(F)(F)F)cc1 ZINC000062729163 184250675 /nfs/dbraw/zinc/25/06/75/184250675.db2.gz WSLVOIUSVBQALW-UHFFFAOYSA-N 1 0 307.312 2.380 10 0 DEAERO CS(=O)(=O)c1ccc(Nc2cccc(OCC[NH3+])c2)cc1 ZINC000062839355 184255637 /nfs/dbraw/zinc/25/56/37/184255637.db2.gz DWIMNYGKUCBDKM-UHFFFAOYSA-N 1 0 306.387 2.171 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000062855452 184256531 /nfs/dbraw/zinc/25/65/31/184256531.db2.gz GFSGCOZULJXFIY-HNNXBMFYSA-N 1 0 309.797 2.028 10 0 DEAERO CCC[C@@]1(C(=O)Nc2cc(C(N)=O)ccc2Cl)CC[NH2+]C1 ZINC000062891981 184258430 /nfs/dbraw/zinc/25/84/30/184258430.db2.gz YVUFDUXEJMAVGY-OAHLLOKOSA-N 1 0 309.797 2.157 10 0 DEAERO CC[C@@]1(C(=O)Nc2ccc3c(c2)NC(=O)CS3)CC[NH2+]C1 ZINC000062893074 184258662 /nfs/dbraw/zinc/25/86/62/184258662.db2.gz UDTIPHBHKGOARB-OAHLLOKOSA-N 1 0 305.403 2.059 10 0 DEAERO C[C@@]1(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)CC[NH2+]C1 ZINC000062894682 184258991 /nfs/dbraw/zinc/25/89/91/184258991.db2.gz ZQNUTAVWKJSTBY-CZUORRHYSA-N 1 0 308.447 2.255 10 0 DEAERO CC[NH2+][C@H](CCSc1ccccc1Br)C(N)=O ZINC000062597094 184244768 /nfs/dbraw/zinc/24/47/68/184244768.db2.gz HBCFDDBSBMLKIR-SNVBAGLBSA-N 1 0 317.252 2.395 10 0 DEAERO CC[NH2+][C@@H](CCSc1ccc(Br)cc1)C(N)=O ZINC000062596944 184244840 /nfs/dbraw/zinc/24/48/40/184244840.db2.gz VXWZNFFIKUPYBI-NSHDSACASA-N 1 0 317.252 2.395 10 0 DEAERO C[NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(Br)c1 ZINC000062700888 184247516 /nfs/dbraw/zinc/24/75/16/184247516.db2.gz PHKYDPSGKBHRLN-VIFPVBQESA-N 1 0 315.211 2.024 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccccc1Cl ZINC000063213128 184278344 /nfs/dbraw/zinc/27/83/44/184278344.db2.gz PAMLFSCCPWFCTP-VXGBXAGGSA-N 1 0 302.827 2.278 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(Cc2nc3sccc3c(N)n2)C1 ZINC000062969448 184263892 /nfs/dbraw/zinc/26/38/92/184263892.db2.gz PKJYMBWBNZNMAM-NSHDSACASA-N 1 0 305.451 2.190 10 0 DEAERO CC[NH2+]Cc1ccc(OCCCS(C)(=O)=O)c(OCC)c1 ZINC000063014326 184266569 /nfs/dbraw/zinc/26/65/69/184266569.db2.gz SXJAWGZWXUPNFA-UHFFFAOYSA-N 1 0 315.435 2.008 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCCCS(C)(=O)=O ZINC000063014501 184266609 /nfs/dbraw/zinc/26/66/09/184266609.db2.gz WKSYGICDLJVXKK-LLVKDONJSA-N 1 0 303.399 2.310 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000063016855 184266825 /nfs/dbraw/zinc/26/68/25/184266825.db2.gz DESABVTZVYFSRQ-GFCCVEGCSA-N 1 0 320.252 2.144 10 0 DEAERO Brc1ccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)nc1 ZINC000063084776 184269670 /nfs/dbraw/zinc/26/96/70/184269670.db2.gz BMTJTCIWRLTQLL-VIFPVBQESA-N 1 0 323.194 2.436 10 0 DEAERO CN(Cc1nc2sccc2c(N)n1)CC1CC[NH+](C)CC1 ZINC000063121863 184271584 /nfs/dbraw/zinc/27/15/84/184271584.db2.gz VHHRMWAVPQFADS-UHFFFAOYSA-N 1 0 305.451 2.047 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1C ZINC000063168150 184275849 /nfs/dbraw/zinc/27/58/49/184275849.db2.gz CVBMDPSJBJUVEK-CYBMUJFWSA-N 1 0 316.854 2.411 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N[C@H]1CCC[C@@H]1[NH3+] ZINC000063172547 184276141 /nfs/dbraw/zinc/27/61/41/184276141.db2.gz NUKMFNMBXBEERP-QWRGUYRKSA-N 1 0 314.227 2.270 10 0 DEAERO C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccc(F)c(Cl)c1 ZINC000112545932 194484575 /nfs/dbraw/zinc/48/45/75/194484575.db2.gz ACYBZPMFUBIFGF-SECBINFHSA-N 1 0 313.760 2.072 10 0 DEAERO CC(C)(C)[NH2+]CC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000066212391 184397241 /nfs/dbraw/zinc/39/72/41/184397241.db2.gz SBHQRDFVTPFTIP-UHFFFAOYSA-N 1 0 303.406 2.249 10 0 DEAERO CC/C(=C\C(=O)NC[C@@H]1CN(C)CCO1)c1ccc(C)cc1 ZINC000172883163 207359262 /nfs/dbraw/zinc/35/92/62/207359262.db2.gz YIZYNDLCRBENPF-GSPCDJLXSA-N 1 0 302.418 2.235 10 0 DEAERO CC(=O)c1cccc(OCCCC(=O)N(C)CCC[NH+](C)C)c1 ZINC000537213739 284987307 /nfs/dbraw/zinc/98/73/07/284987307.db2.gz PLPORCREJXUMPQ-UHFFFAOYSA-N 1 0 320.433 2.458 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Cc1ccc(OC(F)F)cc1 ZINC000537215733 284987385 /nfs/dbraw/zinc/98/73/85/284987385.db2.gz WEGNLKYHIDJUQA-UHFFFAOYSA-N 1 0 300.349 2.241 10 0 DEAERO CN1CCC[C@H]([NH+]2CCC(Oc3ccc(F)cc3F)CC2)C1=O ZINC000537600940 285004795 /nfs/dbraw/zinc/00/47/95/285004795.db2.gz OYZVPFNFKKWZSK-HNNXBMFYSA-N 1 0 324.371 2.429 10 0 DEAERO Cc1cnn(CCNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000118059465 194866281 /nfs/dbraw/zinc/86/62/81/194866281.db2.gz QDMAIZLROFPTOR-MRXNPFEDSA-N 1 0 321.469 2.001 10 0 DEAERO CC[C@@H](COC)[NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000119025576 194958721 /nfs/dbraw/zinc/95/87/21/194958721.db2.gz RCANVSNXNSNDKI-LSDHHAIUSA-N 1 0 312.479 2.444 10 0 DEAERO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000119665174 195013455 /nfs/dbraw/zinc/01/34/55/195013455.db2.gz LJPTWPVWJAJBFV-HIFRSBDPSA-N 1 0 300.406 2.358 10 0 DEAERO C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cn[nH]c1 ZINC000270163259 208225508 /nfs/dbraw/zinc/22/55/08/208225508.db2.gz ALJOYMOLLFZAPM-CYBMUJFWSA-N 1 0 305.426 2.131 10 0 DEAERO CCC[NH2+][C@H](CSc1nnc(N(C)C)s1)[C@H]1CCOC1 ZINC000159172108 197332923 /nfs/dbraw/zinc/33/29/23/197332923.db2.gz ASWOEIGCSMXLIB-WDEREUQCSA-N 1 0 316.496 2.101 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159102016 197327175 /nfs/dbraw/zinc/32/71/75/197327175.db2.gz XTKXWUHCFCYOIP-LLVKDONJSA-N 1 0 306.284 2.278 10 0 DEAERO CC[C@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000159008503 197319017 /nfs/dbraw/zinc/31/90/17/197319017.db2.gz NVJTVDMQCKXMGA-GOEBONIOSA-N 1 0 310.463 2.360 10 0 DEAERO CCC[NH2+][C@H](C[S@](=O)c1cccc(OC)c1)[C@@H]1CCOC1 ZINC000159003098 197318200 /nfs/dbraw/zinc/31/82/00/197318200.db2.gz CWQYNWWFYVJDMA-NZCGUCNHSA-N 1 0 311.447 2.208 10 0 DEAERO Cc1cc(C[C@H](C)[NH3+])cnc1Sc1ncnc2[nH]cnc21 ZINC000158971717 197314608 /nfs/dbraw/zinc/31/46/08/197314608.db2.gz UHAVVEATFPUJJV-VIFPVBQESA-N 1 0 300.391 2.097 10 0 DEAERO [NH3+][C@H](CS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCOC1 ZINC000158810076 197302726 /nfs/dbraw/zinc/30/27/26/197302726.db2.gz ZPTPRYGDTUQWAO-GZMMTYOYSA-N 1 0 324.229 2.131 10 0 DEAERO C[NH+](C)CCc1noc(-c2ccc(C(F)(F)F)cc2N)n1 ZINC000158684667 197293766 /nfs/dbraw/zinc/29/37/66/197293766.db2.gz YYKPMTAZXZUEQI-UHFFFAOYSA-N 1 0 300.284 2.442 10 0 DEAERO CC[NH2+]Cc1csc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000158746443 197298283 /nfs/dbraw/zinc/29/82/83/197298283.db2.gz RMGKYODMWKLMFG-CHWSQXEVSA-N 1 0 314.476 2.278 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1C[NH3+] ZINC000158736545 197298356 /nfs/dbraw/zinc/29/83/56/197298356.db2.gz FWDWYHDEWVQFNH-ZIAGYGMSSA-N 1 0 308.447 2.183 10 0 DEAERO CC[C@H]1CN(S(=O)(=O)c2cc(C)c(C[NH3+])s2)CCS1 ZINC000158444010 197273391 /nfs/dbraw/zinc/27/33/91/197273391.db2.gz ABABVZDODWKVJC-JTQLQIEISA-N 1 0 320.505 2.031 10 0 DEAERO CC(C)OCCN(C)c1ncc(Br)cc1C[NH3+] ZINC000158344055 197264131 /nfs/dbraw/zinc/26/41/31/197264131.db2.gz BNSAVXXDLWSRPS-UHFFFAOYSA-N 1 0 302.216 2.164 10 0 DEAERO CCC(CC)(CO)C[NH2+]C[C@@H](CC(C)C)N1CCOCC1 ZINC000158295168 197260555 /nfs/dbraw/zinc/26/05/55/197260555.db2.gz HIJVZLIHYNYIRU-MRXNPFEDSA-N 1 0 300.487 2.122 10 0 DEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000158212724 197253581 /nfs/dbraw/zinc/25/35/81/197253581.db2.gz WCGCVQORYGFMFD-BPLDGKMQSA-N 1 0 308.447 2.388 10 0 DEAERO CN(C)c1nc(CN2CCC[C@H]2C[NH+]2CCCCC2)ns1 ZINC000158178145 197250755 /nfs/dbraw/zinc/25/07/55/197250755.db2.gz PGZBLISUTPLNAH-ZDUSSCGKSA-N 1 0 309.483 2.054 10 0 DEAERO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CCCC2CC2)CC1 ZINC000541207230 285157899 /nfs/dbraw/zinc/15/78/99/285157899.db2.gz LEYLJRMBQBRUQR-AWEZNQCLSA-N 1 0 324.465 2.347 10 0 DEAERO C[C@H](C[NH3+])CS(=O)(=O)Cc1cccc(F)c1Br ZINC000158003373 197235126 /nfs/dbraw/zinc/23/51/26/197235126.db2.gz DKXKTLFIFCRYLA-MRVPVSSYSA-N 1 0 324.215 2.098 10 0 DEAERO CC(C)([C@H]([NH3+])Cc1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000157675472 197206543 /nfs/dbraw/zinc/20/65/43/197206543.db2.gz BZZDRPVQVLHTEX-LLVKDONJSA-N 1 0 309.353 2.398 10 0 DEAERO C[C@@](F)(Cc1cncc(Br)c1)C[C@H]1COCC[NH2+]1 ZINC000157668842 197206429 /nfs/dbraw/zinc/20/64/29/197206429.db2.gz BCKRHLCLXSHDOM-QWHCGFSZSA-N 1 0 317.202 2.493 10 0 DEAERO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC(n2cncn2)CC1 ZINC000157755786 197212760 /nfs/dbraw/zinc/21/27/60/197212760.db2.gz FRSHUXQSLRTFTG-RBSFLKMASA-N 1 0 319.453 2.093 10 0 DEAERO CCCc1nc(N(C)CCOCC)sc1C[NH2+]CCOC ZINC000157730221 197210721 /nfs/dbraw/zinc/21/07/21/197210721.db2.gz ICLYXNUBNBDOBY-UHFFFAOYSA-N 1 0 315.483 2.304 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1OC(F)F ZINC000157684046 197208282 /nfs/dbraw/zinc/20/82/82/197208282.db2.gz SVEYYBYAEQXDLA-KWQFWETISA-N 1 0 302.296 2.284 10 0 DEAERO [NH3+][C@H]1C[C@H](N2CCN(c3nccs3)CC2)c2ccccc21 ZINC000157502861 197191809 /nfs/dbraw/zinc/19/18/09/197191809.db2.gz UJKFWYULYACIRV-GJZGRUSLSA-N 1 0 300.431 2.410 10 0 DEAERO CCCNc1nnc(C(=O)N(CC[NH+](C)C)CC(C)C)s1 ZINC000157324908 197180265 /nfs/dbraw/zinc/18/02/65/197180265.db2.gz KLEGIWAESNVWHO-UHFFFAOYSA-N 1 0 313.471 2.020 10 0 DEAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)CCOCC)c1 ZINC000157290978 197177264 /nfs/dbraw/zinc/17/72/64/197177264.db2.gz GKVGJDCUPKUFMJ-CYBMUJFWSA-N 1 0 314.451 2.014 10 0 DEAERO COc1ccc2[nH]c(=S)n(C[C@H](C)C[NH+]3CCCC3)c2n1 ZINC000157050411 197158423 /nfs/dbraw/zinc/15/84/23/197158423.db2.gz ASBGSEPIGOOGSA-LLVKDONJSA-N 1 0 306.435 2.461 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc2c(c1)NC(=O)CS2)[NH+](C)C ZINC000156842837 197145193 /nfs/dbraw/zinc/14/51/93/197145193.db2.gz OWGRZODUUCGPST-GFCCVEGCSA-N 1 0 307.419 2.400 10 0 DEAERO C[C@@](O)(Cc1ccc(C(F)(F)F)cc1)C[C@H]1COCC[NH2+]1 ZINC000156779843 197140296 /nfs/dbraw/zinc/14/02/96/197140296.db2.gz ZUEVQSJMCLKBJH-UONOGXRCSA-N 1 0 303.324 2.377 10 0 DEAERO O=C1[C@H]([NH2+][C@H]2CCC23CCOCC3)CCN1c1ccccc1 ZINC000558622325 291896519 /nfs/dbraw/zinc/89/65/19/291896519.db2.gz XJBHCQJUNHVIOI-CVEARBPZSA-N 1 0 300.402 2.341 10 0 DEAERO C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000156418994 197111608 /nfs/dbraw/zinc/11/16/08/197111608.db2.gz HFJJRGPMCJOWSL-WWGRRREGSA-N 1 0 313.825 2.327 10 0 DEAERO O=C1C[C@H]([NH2+]C[C@H]2CCCCS2)C(=O)N1c1ccccc1 ZINC000156412814 197111102 /nfs/dbraw/zinc/11/11/02/197111102.db2.gz JJAFUSXANNMFAB-KGLIPLIRSA-N 1 0 304.415 2.194 10 0 DEAERO [NH3+]Cc1ccc(C(=O)N2CCO[C@H](c3cccs3)C2)cc1 ZINC000156187202 197093787 /nfs/dbraw/zinc/09/37/87/197093787.db2.gz SXILCSRFALAACV-AWEZNQCLSA-N 1 0 302.399 2.421 10 0 DEAERO Cc1sc2nc(CN3CC[C@@H]([NH3+])C[C@@H]3C)nc(N)c2c1C ZINC000156192604 197093738 /nfs/dbraw/zinc/09/37/38/197093738.db2.gz IHPGRRXDBIGPNI-GZMMTYOYSA-N 1 0 305.451 2.202 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC(=O)C1 ZINC000156178497 197092693 /nfs/dbraw/zinc/09/26/93/197092693.db2.gz ONOXPCHSXQKOQP-ALOPSCKCSA-N 1 0 312.413 2.277 10 0 DEAERO COC(=O)c1sccc1NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000156124965 197087578 /nfs/dbraw/zinc/08/75/78/197087578.db2.gz ZUDGVJXADCDVGQ-MNOVXSKESA-N 1 0 310.419 2.499 10 0 DEAERO [NH3+]Cc1cccc(NC(=O)C[S@@](=O)c2cccc(F)c2)c1 ZINC000156085272 197085360 /nfs/dbraw/zinc/08/53/60/197085360.db2.gz GYGOHVZNEYAHBB-NRFANRHFSA-N 1 0 306.362 2.031 10 0 DEAERO CC[NH+](CC)[C@@H](CN1C(=S)N=NC1CO)c1ccccc1 ZINC000155589944 197069761 /nfs/dbraw/zinc/06/97/61/197069761.db2.gz KEQIJUHEXGHQFH-ZDUSSCGKSA-N 1 0 306.435 2.142 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000155474878 197058782 /nfs/dbraw/zinc/05/87/82/197058782.db2.gz IQNBVKSMMYTMLZ-MRVPVSSYSA-N 1 0 322.356 2.007 10 0 DEAERO CC(C)c1ccc(NC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000155323714 197044693 /nfs/dbraw/zinc/04/46/93/197044693.db2.gz UFYSTZCYWFEVOL-KRWDZBQOSA-N 1 0 319.449 2.011 10 0 DEAERO C[C@@H]1CC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000154986699 197010513 /nfs/dbraw/zinc/01/05/13/197010513.db2.gz BXRGACUQIIDATO-HUUCEWRRSA-N 1 0 323.481 2.460 10 0 DEAERO Cc1cccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1C ZINC000120482742 195174459 /nfs/dbraw/zinc/17/44/59/195174459.db2.gz VRRRVKDRPXRATC-UHFFFAOYSA-N 1 0 322.416 2.063 10 0 DEAERO CC[C@@H]1CN(Cc2ccc(COC)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000120709345 195221512 /nfs/dbraw/zinc/22/15/12/195221512.db2.gz XWMJDVBCBAHSRB-CRAIPNDOSA-N 1 0 306.450 2.110 10 0 DEAERO CCn1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cn1 ZINC000120895479 195259231 /nfs/dbraw/zinc/25/92/31/195259231.db2.gz YAVQJSQAORFQCI-UHFFFAOYSA-N 1 0 310.405 2.325 10 0 DEAERO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CN(c3ccsc3)C(=O)[C@@H]2C1 ZINC000251990197 257106873 /nfs/dbraw/zinc/10/68/73/257106873.db2.gz IUKJFHVLMODRDO-IUODEOHRSA-N 1 0 317.414 2.448 10 0 DEAERO CN(C)c1ncc2c(n1)[C@]1(CC[N@H+](CCC(C)(C)C)C1)COC2 ZINC000248261853 257107170 /nfs/dbraw/zinc/10/71/70/257107170.db2.gz MRJALZLTJBJAGZ-SFHVURJKSA-N 1 0 318.465 2.453 10 0 DEAERO O=C1[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN1Cc1cccnc1 ZINC000248073119 257109661 /nfs/dbraw/zinc/10/96/61/257109661.db2.gz YYOUTJJNLRGPPZ-GDBMZVCRSA-N 1 0 313.426 2.234 10 0 DEAERO Cc1noc([C@@H]2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccncc3)O2)n1 ZINC000247993504 257113623 /nfs/dbraw/zinc/11/36/23/257113623.db2.gz BWZIIBJJCHVOSB-KKUMJFAQSA-N 1 0 300.362 2.268 10 0 DEAERO O=C1[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN1Cc1ccncc1 ZINC000247955658 257114636 /nfs/dbraw/zinc/11/46/36/257114636.db2.gz NDNAKKLJWTWFHS-GDBMZVCRSA-N 1 0 313.426 2.234 10 0 DEAERO Cc1cc(C(=O)N2C[C@@H]3OC[C@H](C[NH+]4CCCC4)[C@@H]3C2)c(C)o1 ZINC000247820379 257117189 /nfs/dbraw/zinc/11/71/89/257117189.db2.gz GIFANTIDSYLENG-XIRDDKMYSA-N 1 0 318.417 2.079 10 0 DEAERO O=C(NC1CC1)[C@@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2ccccc2F)O1 ZINC000247728609 257119203 /nfs/dbraw/zinc/11/92/03/257119203.db2.gz FVTSSBWMGISGMP-ULQDDVLXSA-N 1 0 318.392 2.226 10 0 DEAERO O=C(NCC1CC1)[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000247469063 257119298 /nfs/dbraw/zinc/11/92/98/257119298.db2.gz DQXAIRXHUSQZRP-JYJNAYRXSA-N 1 0 320.458 2.396 10 0 DEAERO COCCN1CCO[C@@H]2CC[N@H+](Cc3ccc(F)cc3C)C[C@@H]21 ZINC000503717319 257209355 /nfs/dbraw/zinc/20/93/55/257209355.db2.gz SRCWWBGJGSHORH-ZWKOTPCHSA-N 1 0 322.424 2.056 10 0 DEAERO COCCN1CCO[C@H]2CC[N@H+](Cc3cc(F)ccc3C)C[C@H]21 ZINC000503717027 257209506 /nfs/dbraw/zinc/20/95/06/257209506.db2.gz OKKZXMYZZLQMQT-MSOLQXFVSA-N 1 0 322.424 2.056 10 0 DEAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CC[C@H]1CCOC1 ZINC000544167023 285334369 /nfs/dbraw/zinc/33/43/69/285334369.db2.gz YUOFHJHGLQLCPK-LBPRGKRZSA-N 1 0 315.373 2.322 10 0 DEAERO CC[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1CCOC ZINC000120976428 195275398 /nfs/dbraw/zinc/27/53/98/195275398.db2.gz IIBDHUIAWZPOFJ-MRXNPFEDSA-N 1 0 308.470 2.181 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Cc1c(Br)c(C)nn1CC ZINC000122049761 195394645 /nfs/dbraw/zinc/39/46/45/195394645.db2.gz PSGSNNNJJDATHS-JTQLQIEISA-N 1 0 316.243 2.461 10 0 DEAERO COc1cccc(CNc2nc(NN)[nH+]cc2Br)c1 ZINC000122814218 195505826 /nfs/dbraw/zinc/50/58/26/195505826.db2.gz NQIKENRFDQYHCB-UHFFFAOYSA-N 1 0 324.182 2.145 10 0 DEAERO C[NH2+]C[C@H]1CN(C(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000125688541 195776592 /nfs/dbraw/zinc/77/65/92/195776592.db2.gz BOHYTXBEPPZYKX-VIFPVBQESA-N 1 0 303.189 2.054 10 0 DEAERO Cc1nn(C)c(C[C@@H](F)[C@H]2CCC[NH2+]C2)c1Br ZINC000127071646 195848538 /nfs/dbraw/zinc/84/85/38/195848538.db2.gz PIMIPDBOKGYTOP-VHSXEESVSA-N 1 0 304.207 2.371 10 0 DEAERO CCCCOCCOCCOCCO[C@H](C)C[NH2+]C(C)C ZINC000127250942 195860967 /nfs/dbraw/zinc/86/09/67/195860967.db2.gz MRCJCGJLJQTXER-MRXNPFEDSA-N 1 0 305.459 2.239 10 0 DEAERO [NH3+][C@H](c1ccc(I)cc1)[C@H]1CCOC1 ZINC000127296585 195864135 /nfs/dbraw/zinc/86/41/35/195864135.db2.gz BQJDELSEHOLNHM-GXSJLCMTSA-N 1 0 303.143 2.328 10 0 DEAERO COc1ccc(Br)c(NC(=O)C[C@@H](C)C[NH3+])c1 ZINC000127532465 195886175 /nfs/dbraw/zinc/88/61/75/195886175.db2.gz GSORREHFMMOHHG-MRVPVSSYSA-N 1 0 301.184 2.381 10 0 DEAERO C[NH2+]Cc1cc(Br)c(OC[C@@H](C)CO)c(OC)c1 ZINC000128015396 195929475 /nfs/dbraw/zinc/92/94/75/195929475.db2.gz RTNRZUWQHNULCE-VIFPVBQESA-N 1 0 318.211 2.184 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)n2nc(C)cc2C)[C@H](C)C1 ZINC000247426728 285393952 /nfs/dbraw/zinc/39/39/52/285393952.db2.gz OJLPAFLBIQXMSW-KCXAZCMYSA-N 1 0 306.454 2.250 10 0 DEAERO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000124172699 304289396 /nfs/dbraw/zinc/28/93/96/304289396.db2.gz VQXOOLYMPPIDMK-HZPDHXFCSA-N 1 0 302.422 2.338 10 0 DEAERO C(C[NH+]1CCOCC1)C1CCN(c2nc(C3CCC3)no2)CC1 ZINC000562690219 292003147 /nfs/dbraw/zinc/00/31/47/292003147.db2.gz GOVDYWHEMNGEMM-UHFFFAOYSA-N 1 0 320.437 2.276 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000176066196 132517194 /nfs/dbraw/zinc/51/71/94/132517194.db2.gz OQMHQKZGPVJMFA-HNNXBMFYSA-N 1 0 317.433 2.427 10 0 DEAERO C[C@H](OCc1ccccc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237581869 132559729 /nfs/dbraw/zinc/55/97/29/132559729.db2.gz PNJKZZRBQLNUFC-JTUUTPGSSA-N 1 0 302.418 2.333 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC)nc2)[C@@H](C)C1 ZINC000245493707 132565992 /nfs/dbraw/zinc/56/59/92/132565992.db2.gz MBDSFZBOAKOONM-JSGCOSHPSA-N 1 0 306.410 2.284 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000246247560 132578591 /nfs/dbraw/zinc/57/85/91/132578591.db2.gz JOYIZHUQZNVUOT-BRWVUGGUSA-N 1 0 302.418 2.179 10 0 DEAERO CCCCOc1ccc([C@H](C)NC(=O)C2C[NH2+]C2)cc1OC ZINC000263341877 132582932 /nfs/dbraw/zinc/58/29/32/132582932.db2.gz XUGOYVKVODPQRF-LBPRGKRZSA-N 1 0 306.406 2.271 10 0 DEAERO C[C@@H](CO)N(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000305722705 132609713 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[NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000261735447 145221493 /nfs/dbraw/zinc/22/14/93/145221493.db2.gz LIYWKZKQBNGSFY-GXFFZTMASA-N 1 0 306.797 2.121 10 0 DEAERO Fc1cccc(OCCN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261764202 145223971 /nfs/dbraw/zinc/22/39/71/145223971.db2.gz OEPNATNIVNUUDW-QGZVFWFLSA-N 1 0 301.365 2.246 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261771669 145225304 /nfs/dbraw/zinc/22/53/04/145225304.db2.gz OQWUSVLUIOBEHZ-AAEUAGOBSA-N 1 0 314.838 2.021 10 0 DEAERO Cc1cc(Br)cc2c1CN(C(=O)C[C@@H](C)[NH3+])CC2 ZINC000261796596 145227132 /nfs/dbraw/zinc/22/71/32/145227132.db2.gz DNIZYXPHFOOCAI-SNVBAGLBSA-N 1 0 311.223 2.380 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]2C[NH3+])no1 ZINC000261821430 145230523 /nfs/dbraw/zinc/23/05/23/145230523.db2.gz SSDCJZJNYKQLPA-UPJWGTAASA-N 1 0 306.410 2.232 10 0 DEAERO CCOC(=O)[C@@H]1CN(C[C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000261827421 145231545 /nfs/dbraw/zinc/23/15/45/145231545.db2.gz IVNRYGSSOZOEKT-WMLDXEAASA-N 1 0 302.418 2.149 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H](O)c1cc2ccccc2s1 ZINC000261839150 145232447 /nfs/dbraw/zinc/23/24/47/145232447.db2.gz UUNLTDPLUAJNPD-MCIONIFRSA-N 1 0 318.442 2.426 10 0 DEAERO COc1ccc(OC)c([C@@H](C)NC(=O)c2ccnc(C[NH3+])c2)c1 ZINC000261844129 145232522 /nfs/dbraw/zinc/23/25/22/145232522.db2.gz YWYMRDWFNAIGBU-LLVKDONJSA-N 1 0 315.373 2.049 10 0 DEAERO COc1ccc(OC)c(CCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261847452 145233193 /nfs/dbraw/zinc/23/31/93/145233193.db2.gz MCGPKYIOGAVCNW-INIZCTEOSA-N 1 0 320.433 2.222 10 0 DEAERO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261868183 145235755 /nfs/dbraw/zinc/23/57/55/145235755.db2.gz NWWKGXSABSCRSC-LSDHHAIUSA-N 1 0 302.418 2.207 10 0 DEAERO CN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000261864335 145235782 /nfs/dbraw/zinc/23/57/82/145235782.db2.gz KRQIHGCAELIESA-BBRMVZONSA-N 1 0 318.417 2.063 10 0 DEAERO Cc1cc(C)cc(NC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261874647 145236505 /nfs/dbraw/zinc/23/65/05/145236505.db2.gz XUDQRNVUYFXHIX-SFHVURJKSA-N 1 0 324.428 2.283 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261883667 145237055 /nfs/dbraw/zinc/23/70/55/145237055.db2.gz UVSNKKZSXANXLS-WOSRLPQWSA-N 1 0 321.440 2.451 10 0 DEAERO CCCOc1ccc(OCC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261896355 145238775 /nfs/dbraw/zinc/23/87/75/145238775.db2.gz VUSMJHXZIGJIBY-HUUCEWRRSA-N 1 0 320.433 2.440 10 0 DEAERO COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261896912 145238913 /nfs/dbraw/zinc/23/89/13/145238913.db2.gz DEWDMSRWIOXKTE-QLFBSQMISA-N 1 0 322.449 2.004 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc2c(c1)OCO2 ZINC000261905065 145240198 /nfs/dbraw/zinc/24/01/98/145240198.db2.gz SCKUDHFIIKZKGU-MTICYGMRSA-N 1 0 302.374 2.051 10 0 DEAERO CC1(C)CN(C(=O)c2cc(=O)[nH]c3ccc(F)cc32)CC[C@@H]1[NH3+] ZINC000261941651 145244698 /nfs/dbraw/zinc/24/46/98/145244698.db2.gz JKMNZSZVVGSSCK-AWEZNQCLSA-N 1 0 317.364 2.279 10 0 DEAERO Cc1noc(C)c1CSCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261949203 145245694 /nfs/dbraw/zinc/24/56/94/145245694.db2.gz JYUKARUMSZKQHM-ZDUSSCGKSA-N 1 0 311.451 2.110 10 0 DEAERO [NH3+]C1(C(=O)NCc2ccc(Cl)cc2Cl)CCOCC1 ZINC000261946129 145245739 /nfs/dbraw/zinc/24/57/39/145245739.db2.gz YJIZBGBAJPJCJU-UHFFFAOYSA-N 1 0 303.189 2.118 10 0 DEAERO CCc1noc(-c2ccc(C)c(NC(=O)[C@@H](C)C3C[NH2+]C3)c2)n1 ZINC000262025515 145254704 /nfs/dbraw/zinc/25/47/04/145254704.db2.gz AAQSDALHPCKBQK-NSHDSACASA-N 1 0 314.389 2.401 10 0 DEAERO c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000262035113 145255002 /nfs/dbraw/zinc/25/50/02/145255002.db2.gz XXSIYIDYQUMYEI-LFDJNIOPSA-N 1 0 300.446 2.364 10 0 DEAERO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1([NH3+])CCOCC1 ZINC000262066672 145258289 /nfs/dbraw/zinc/25/82/89/145258289.db2.gz FNPOVWUUZMXDNW-UHFFFAOYSA-N 1 0 306.450 2.169 10 0 DEAERO O=C(COCC(F)(F)F)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262103075 145262474 /nfs/dbraw/zinc/26/24/74/145262474.db2.gz TVWZIZBCPZOMGL-UHFFFAOYSA-N 1 0 323.340 2.128 10 0 DEAERO C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C(F)(F)F ZINC000262126355 145264678 /nfs/dbraw/zinc/26/46/78/145264678.db2.gz CMCKGBDBWGALLF-UHTWSYAYSA-N 1 0 300.324 2.386 10 0 DEAERO CCc1ccc([C@H]2C[NH2+]CCN2CC(=O)Nc2ccncc2)cc1 ZINC000262164321 145266759 /nfs/dbraw/zinc/26/67/59/145266759.db2.gz HFJLDZAGLAXZIU-GOSISDBHSA-N 1 0 324.428 2.229 10 0 DEAERO C[C@@]1(C[NH3+])CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000262166211 145267433 /nfs/dbraw/zinc/26/74/33/145267433.db2.gz YFRZEXPXLZMZDY-AWEZNQCLSA-N 1 0 316.323 2.325 10 0 DEAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1nc(C)c(C)o1 ZINC000262274964 145273103 /nfs/dbraw/zinc/27/31/03/145273103.db2.gz SYQQXDDOEWDOGJ-HNNXBMFYSA-N 1 0 301.390 2.447 10 0 DEAERO CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000262296446 145274590 /nfs/dbraw/zinc/27/45/90/145274590.db2.gz JFALCHYEDRXWJX-STQMWFEESA-N 1 0 306.410 2.026 10 0 DEAERO C[C@@H](C(=O)NCc1ccc(CO)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000262305626 145274898 /nfs/dbraw/zinc/27/48/98/145274898.db2.gz OPMCOXCQVYIASF-PXAZEXFGSA-N 1 0 316.376 2.270 10 0 DEAERO O=c1[nH]c2ccccc2cc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262301117 145275299 /nfs/dbraw/zinc/27/52/99/145275299.db2.gz XMVXGTVLXGGUPT-SFHVURJKSA-N 1 0 320.396 2.482 10 0 DEAERO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000262317923 145276044 /nfs/dbraw/zinc/27/60/44/145276044.db2.gz BVZMATCFHPYXTC-LZWOXQAQSA-N 1 0 312.417 2.438 10 0 DEAERO C[C@H]1CCCC[C@@H]1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262312370 145276070 /nfs/dbraw/zinc/27/60/70/145276070.db2.gz QNYSOICDVTYJIL-ABFRBSLYSA-N 1 0 318.465 2.056 10 0 DEAERO C[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000262325580 145276312 /nfs/dbraw/zinc/27/63/12/145276312.db2.gz FYEHXLCRVVRZOV-QWHCGFSZSA-N 1 0 309.841 2.140 10 0 DEAERO Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262334711 145277387 /nfs/dbraw/zinc/27/73/87/145277387.db2.gz SOVTTXRNAZVQBJ-CJNGLKHVSA-N 1 0 324.380 2.205 10 0 DEAERO Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262333227 145277447 /nfs/dbraw/zinc/27/74/47/145277447.db2.gz DVZJKSWJTRWFPX-LBPRGKRZSA-N 1 0 312.373 2.371 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1nc(C2CC2)cs1 ZINC000262530266 145290567 /nfs/dbraw/zinc/29/05/67/145290567.db2.gz PLIFECKXOCSYGB-IETSOEAISA-N 1 0 321.446 2.492 10 0 DEAERO C[C@@H](C(=O)NCc1cc(Cl)ccc1OC(F)F)C1C[NH2+]C1 ZINC000262527580 145290616 /nfs/dbraw/zinc/29/06/16/145290616.db2.gz LOCRPCQNLSUSCY-MRVPVSSYSA-N 1 0 318.751 2.413 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000262587022 145295760 /nfs/dbraw/zinc/29/57/60/145295760.db2.gz ZVLUSPSITUUGJE-KCTHJMFYSA-N 1 0 306.450 2.168 10 0 DEAERO Cc1ccc(C(=O)C2CCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000262600425 145295986 /nfs/dbraw/zinc/29/59/86/145295986.db2.gz XRYCDDUSMFIWFT-CQSZACIVSA-N 1 0 314.429 2.272 10 0 DEAERO CCOc1ccc(OCCCC(=O)N2CCC([NH2+]C)CC2)cc1 ZINC000262602849 145296241 /nfs/dbraw/zinc/29/62/41/145296241.db2.gz QRNRTFVBGGFWOQ-UHFFFAOYSA-N 1 0 320.433 2.455 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@@](C)(C[NH3+])C3CC3)nc21 ZINC000262613189 145296681 /nfs/dbraw/zinc/29/66/81/145296681.db2.gz FOXKSVDHKSOOCE-KRWDZBQOSA-N 1 0 300.406 2.048 10 0 DEAERO [NH3+]C1(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CCCCC1 ZINC000262644724 145297909 /nfs/dbraw/zinc/29/79/09/145297909.db2.gz MVFLEVGXDYCYRC-LBPRGKRZSA-N 1 0 323.387 2.321 10 0 DEAERO Cc1nccn1CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262680892 145300008 /nfs/dbraw/zinc/30/00/08/145300008.db2.gz XIAPVLXLMBOKSI-XHSDSOJGSA-N 1 0 304.438 2.009 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(Br)cs1 ZINC000262711818 145301668 /nfs/dbraw/zinc/30/16/68/145301668.db2.gz CUSDSPILMRMPQK-VXNVDRBHSA-N 1 0 303.225 2.238 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000262727047 145301918 /nfs/dbraw/zinc/30/19/18/145301918.db2.gz HNZYHQXVSXFTRF-ABAIWWIYSA-N 1 0 318.808 2.254 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262777406 145304896 /nfs/dbraw/zinc/30/48/96/145304896.db2.gz NWQTWKLMWYYPCW-WDEREUQCSA-N 1 0 302.827 2.019 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000262796139 145305959 /nfs/dbraw/zinc/30/59/59/145305959.db2.gz NKUYLFIJTHEDKT-XJKSGUPXSA-N 1 0 304.434 2.477 10 0 DEAERO COc1ccccc1[C@H](C)Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263134823 145328167 /nfs/dbraw/zinc/32/81/67/145328167.db2.gz BYPHWRUWFIKEJZ-OCCSQVGLSA-N 1 0 316.405 2.001 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccccc2C(F)(F)F)n1 ZINC000263216151 145337119 /nfs/dbraw/zinc/33/71/19/145337119.db2.gz KXHNQPLVNWUBRU-LLVKDONJSA-N 1 0 312.295 2.332 10 0 DEAERO C[C@@H](Oc1cccc(Cl)c1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263217863 145337473 /nfs/dbraw/zinc/33/74/73/145337473.db2.gz LFRZWZZWQWRHKV-ZWNOBZJWSA-N 1 0 322.796 2.439 10 0 DEAERO CCOC(=O)CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309681452 145350996 /nfs/dbraw/zinc/35/09/96/145350996.db2.gz AQNPNYSWYUQCTF-YESZJQIVSA-N 1 0 302.418 2.050 10 0 DEAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCO[C@H]2C2CC2)C1 ZINC000332752114 145387903 /nfs/dbraw/zinc/38/79/03/145387903.db2.gz APAWQQTXJLSOOF-KBMXLJTQSA-N 1 0 323.481 2.364 10 0 DEAERO COc1cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)ccc1F ZINC000348392695 146265091 /nfs/dbraw/zinc/26/50/91/146265091.db2.gz QBHHXYOUUKLZBR-JTQLQIEISA-N 1 0 301.383 2.062 10 0 DEAERO Cn1cnc(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000358380434 147122656 /nfs/dbraw/zinc/12/26/56/147122656.db2.gz LBCHOUWRCVVCFG-HOCLYGCPSA-N 1 0 300.406 2.115 10 0 DEAERO COC(=O)[C@H](C1CC1)N1CCN([C@H](C)c2ccsc2)CC1 ZINC000360632770 147363397 /nfs/dbraw/zinc/36/33/97/147363397.db2.gz KMSNWWOVAYDISX-DOMZBBRYSA-N 1 0 308.447 2.378 10 0 DEAERO CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360714125 147373284 /nfs/dbraw/zinc/37/32/84/147373284.db2.gz OIHWGBORXJHKDR-UHFFFAOYSA-N 1 0 317.437 2.292 10 0 DEAERO Cc1ccnc(C2CC[NH+](Cc3cnc4cnccn34)CC2)n1 ZINC000371888636 148149210 /nfs/dbraw/zinc/14/92/10/148149210.db2.gz QLSRKUDNUKYIOQ-UHFFFAOYSA-N 1 0 308.389 2.207 10 0 DEAERO Cc1csc([C@H](C)NC(=O)N2CC[C@@H](c3nccn3C)C2)n1 ZINC000372301794 148192355 /nfs/dbraw/zinc/19/23/55/148192355.db2.gz LNFRMJLTOAGRSH-NWDGAFQWSA-N 1 0 319.434 2.445 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)CC2 ZINC000372385187 148201639 /nfs/dbraw/zinc/20/16/39/148201639.db2.gz GXKYHHIYLYWPSV-ZDUSSCGKSA-N 1 0 318.465 2.191 10 0 DEAERO CCCc1occc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374232847 148220834 /nfs/dbraw/zinc/22/08/34/148220834.db2.gz VFBKPTIBDVQJGB-AWEZNQCLSA-N 1 0 319.449 2.130 10 0 DEAERO CCCOc1ccc(CN2CCN3CCOC[C@@H]3C2)cc1OC ZINC000375239598 148346115 /nfs/dbraw/zinc/34/61/15/148346115.db2.gz VAVCGRXYXYVFQU-INIZCTEOSA-N 1 0 320.433 2.000 10 0 DEAERO c1cc(OCCC[N@@H+]2CCO[C@@H](C3CC3)C2)cc2c1OCO2 ZINC000375332993 148360149 /nfs/dbraw/zinc/36/01/49/148360149.db2.gz RTTRQHJRSOQRKS-QGZVFWFLSA-N 1 0 305.374 2.295 10 0 DEAERO NC(=O)c1csc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375405084 148368183 /nfs/dbraw/zinc/36/81/83/148368183.db2.gz PPNIPPRLDXQRTB-JTQLQIEISA-N 1 0 318.402 2.097 10 0 DEAERO CC1CC[NH+](C2CCC(NC(=O)N(C)CCCO)CC2)CC1 ZINC000375583634 148387972 /nfs/dbraw/zinc/38/79/72/148387972.db2.gz KRKSBVCZAJUPHW-UHFFFAOYSA-N 1 0 311.470 2.053 10 0 DEAERO CC(C)[C@H](O)C(C)(C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000127131455 401721431 /nfs/dbraw/zinc/72/14/31/401721431.db2.gz FTMZPHYXKMZFFY-IRXDYDNUSA-N 1 0 320.477 2.319 10 0 DEAERO CN(C(=O)NCc1ccccc1OCC[NH+](C)C)C1CCC1 ZINC000073915245 401724741 /nfs/dbraw/zinc/72/47/41/401724741.db2.gz PKVOHXJLFZMZNT-UHFFFAOYSA-N 1 0 305.422 2.321 10 0 DEAERO COC[C@@H](C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112186870 401732544 /nfs/dbraw/zinc/73/25/44/401732544.db2.gz OXYUFJSYXJLRFO-CQSZACIVSA-N 1 0 314.495 2.137 10 0 DEAERO CSc1ncc(C(=O)NCC[NH+](C)C)c(-c2ccccc2)n1 ZINC000006938122 401734833 /nfs/dbraw/zinc/73/48/33/401734833.db2.gz SXFPGUNALBLBDV-UHFFFAOYSA-N 1 0 316.430 2.157 10 0 DEAERO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000074317284 401735442 /nfs/dbraw/zinc/73/54/42/401735442.db2.gz ZGPMJWAFWREISF-GFCCVEGCSA-N 1 0 305.422 2.399 10 0 DEAERO CCS(=O)(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000112540681 401749045 /nfs/dbraw/zinc/74/90/45/401749045.db2.gz QLCOOJIPFDRHKX-CYBMUJFWSA-N 1 0 306.431 2.430 10 0 DEAERO C[C@@H](CNC(=O)NC1CCC(C)(C)CC1)C[NH+]1CCN(C)CC1 ZINC000074524365 401741245 /nfs/dbraw/zinc/74/12/45/401741245.db2.gz YFABXETZIRAVFA-HNNXBMFYSA-N 1 0 324.513 2.138 10 0 DEAERO Cc1cc(NC(=O)C2([NH3+])CCOCC2)ccc1Br ZINC000127703359 401746086 /nfs/dbraw/zinc/74/60/86/401746086.db2.gz RSERLEQWNDOYRG-UHFFFAOYSA-N 1 0 313.195 2.204 10 0 DEAERO CC(C)C(=O)Nc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000072027754 401701795 /nfs/dbraw/zinc/70/17/95/401701795.db2.gz OGBSJTSADIGENY-UHFFFAOYSA-N 1 0 317.433 2.447 10 0 DEAERO Cc1cnn(CCCCC[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000111229132 401702255 /nfs/dbraw/zinc/70/22/55/401702255.db2.gz ZYVMEKIUZHNBFO-KRWDZBQOSA-N 1 0 316.453 2.366 10 0 DEAERO C[C@H](O)C1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000111288544 401708367 /nfs/dbraw/zinc/70/83/67/401708367.db2.gz GAYRBIPFBTWRRS-NSHDSACASA-N 1 0 303.358 2.091 10 0 DEAERO CC(C)NC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111307373 401709649 /nfs/dbraw/zinc/70/96/49/401709649.db2.gz WPIJTJNOEGJXTL-UHFFFAOYSA-N 1 0 315.461 2.286 10 0 DEAERO CC[C@H](C(N)=O)[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111307305 401710057 /nfs/dbraw/zinc/71/00/57/401710057.db2.gz KGPDFCGTUIOPLY-MRXNPFEDSA-N 1 0 301.434 2.025 10 0 DEAERO CCCC(=O)NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072808153 401712372 /nfs/dbraw/zinc/71/23/72/401712372.db2.gz TZYPGNYYTUCUEN-JKSUJKDBSA-N 1 0 323.481 2.016 10 0 DEAERO COc1ccc([C@H](C[NH3+])S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008037321 401747871 /nfs/dbraw/zinc/74/78/71/401747871.db2.gz GNIWEGBTVZDKPJ-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO CC1(C)C[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)c2ccccc2O1 ZINC000128968753 401797166 /nfs/dbraw/zinc/79/71/66/401797166.db2.gz XGUOTPBJEMTUNM-TZMCWYRMSA-N 1 0 309.431 2.456 10 0 DEAERO CCC[N@H+](CCO)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000076951626 401801409 /nfs/dbraw/zinc/80/14/09/401801409.db2.gz FXNBTRRPRMMPAH-KRWDZBQOSA-N 1 0 320.433 2.063 10 0 DEAERO CC1(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)COC1 ZINC000112621875 401751280 /nfs/dbraw/zinc/75/12/80/401751280.db2.gz VHYZZVJZGDOZIL-MRXNPFEDSA-N 1 0 302.418 2.051 10 0 DEAERO Cc1ccc([C@@H](CNC(=O)NCC2(C)COC2)[NH+]2CCCC2)o1 ZINC000112718970 401756560 /nfs/dbraw/zinc/75/65/60/401756560.db2.gz INIVAHRGXRVWTP-CQSZACIVSA-N 1 0 321.421 2.061 10 0 DEAERO CC1(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)COC1 ZINC000112753607 401757503 /nfs/dbraw/zinc/75/75/03/401757503.db2.gz CXPQVOWBWCWZTO-UHFFFAOYSA-N 1 0 323.481 2.321 10 0 DEAERO COc1ccc2nc(C(=O)NC[C@H](C)[N@H+](C)C3CC3)ccc2c1 ZINC000075577845 401763002 /nfs/dbraw/zinc/76/30/02/401763002.db2.gz RRTRQSVZGSQZNT-LBPRGKRZSA-N 1 0 313.401 2.456 10 0 DEAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCc1ccnn1C ZINC000128270365 401769057 /nfs/dbraw/zinc/76/90/57/401769057.db2.gz MAMOHZIGLNSKBH-UHFFFAOYSA-N 1 0 300.406 2.361 10 0 DEAERO Cc1noc2nc(C)cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)c12 ZINC000113233198 401771416 /nfs/dbraw/zinc/77/14/16/401771416.db2.gz PNVQYXJGSBRLDI-WCQYABFASA-N 1 0 314.389 2.148 10 0 DEAERO CCCN(CCC)C(=O)CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113231146 401771902 /nfs/dbraw/zinc/77/19/02/401771902.db2.gz BEYHPDZSJHYGMS-HOTGVXAUSA-N 1 0 323.481 2.110 10 0 DEAERO COc1cc(OC)cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113233578 401772526 /nfs/dbraw/zinc/77/25/26/401772526.db2.gz FLFNQZRICADCDK-GXTWGEPZSA-N 1 0 304.390 2.013 10 0 DEAERO O=C(C[NH2+][C@H]1CCCC[C@H]1n1cccn1)NCc1cccs1 ZINC000128357498 401772889 /nfs/dbraw/zinc/77/28/89/401772889.db2.gz FLVIBDCMXXELSA-LSDHHAIUSA-N 1 0 318.446 2.334 10 0 DEAERO CN(C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)C1CCCCC1 ZINC000128437384 401776657 /nfs/dbraw/zinc/77/66/57/401776657.db2.gz UGIFMCUSAGUZFN-QAPCUYQASA-N 1 0 308.466 2.405 10 0 DEAERO CC(C)Cn1ncc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1C(F)F ZINC000128733346 401789736 /nfs/dbraw/zinc/78/97/36/401789736.db2.gz IOTPAJITHQQRTH-LLVKDONJSA-N 1 0 314.380 2.253 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000128804548 401792504 /nfs/dbraw/zinc/79/25/04/401792504.db2.gz GJXKZSJQDJZJKR-IRXDYDNUSA-N 1 0 323.481 2.365 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)n2nc(C)cc2C)[C@H](C)C1 ZINC000076486186 401796489 /nfs/dbraw/zinc/79/64/89/401796489.db2.gz OJLPAFLBIQXMSW-WQVCFCJDSA-N 1 0 306.454 2.250 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000077729475 401827593 /nfs/dbraw/zinc/82/75/93/401827593.db2.gz OUVZGMHFCABSES-CYBMUJFWSA-N 1 0 324.469 2.392 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](CCO)c1ccccc1 ZINC000077774007 401830303 /nfs/dbraw/zinc/83/03/03/401830303.db2.gz COCJRVYFSCZVJD-WBVHZDCISA-N 1 0 321.465 2.182 10 0 DEAERO Cc1cc(C)n(C[C@H]2C[N@H+](CC3(O)CCC(C)CC3)CCO2)n1 ZINC000130405080 401830537 /nfs/dbraw/zinc/83/05/37/401830537.db2.gz WFWGDZDTJXHNPZ-ZCDVPAHGSA-N 1 0 321.465 2.142 10 0 DEAERO Cn1cncc1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000132700602 401871487 /nfs/dbraw/zinc/87/14/87/401871487.db2.gz FYNNSICBOAAJEE-JKSUJKDBSA-N 1 0 306.360 2.233 10 0 DEAERO Cc1cccnc1[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000115810488 401837376 /nfs/dbraw/zinc/83/73/76/401837376.db2.gz IPUVNOMWHQNGTJ-LSDHHAIUSA-N 1 0 304.438 2.481 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)C1 ZINC000115837861 401838266 /nfs/dbraw/zinc/83/82/66/401838266.db2.gz UBXUSRFVGBSYLM-WBVHZDCISA-N 1 0 316.449 2.001 10 0 DEAERO C[C@@H]1CN(C2CC[NH+](Cc3ccccc3N(C)C)CC2)CCO1 ZINC000078048196 401838662 /nfs/dbraw/zinc/83/86/62/401838662.db2.gz PTINTTOQFMBBTQ-MRXNPFEDSA-N 1 0 317.477 2.438 10 0 DEAERO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116323789 401849931 /nfs/dbraw/zinc/84/99/31/401849931.db2.gz DXEOREZEJMYOMJ-ZBFHGGJFSA-N 1 0 324.428 2.187 10 0 DEAERO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116322175 401850241 /nfs/dbraw/zinc/85/02/41/401850241.db2.gz AARNWJQSRSKMMR-KBPBESRZSA-N 1 0 304.438 2.047 10 0 DEAERO C[C@H]1C[C@H](C)C[NH+](CCCCNc2cncc(OCCO)n2)C1 ZINC000131524538 401851885 /nfs/dbraw/zinc/85/18/85/401851885.db2.gz HOILCNFNXSGRFF-GJZGRUSLSA-N 1 0 322.453 2.018 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000131691099 401854719 /nfs/dbraw/zinc/85/47/19/401854719.db2.gz BDJRRHLVIHWFHK-YOEHRIQHSA-N 1 0 312.417 2.249 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)C1CC1 ZINC000116568119 401854859 /nfs/dbraw/zinc/85/48/59/401854859.db2.gz KLVUYTNRPDLFJN-BBRMVZONSA-N 1 0 302.422 2.096 10 0 DEAERO C[C@@H](SCc1ccccc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116793514 401859140 /nfs/dbraw/zinc/85/91/40/401859140.db2.gz OCWMVFVJVPQTNG-GDBMZVCRSA-N 1 0 322.474 2.097 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)CCO1 ZINC000116792192 401859430 /nfs/dbraw/zinc/85/94/30/401859430.db2.gz YGDGJLZAPBZBNM-CYBMUJFWSA-N 1 0 322.792 2.489 10 0 DEAERO CC(C)NC(=O)CC[N@H+](C)Cc1ccc(Br)o1 ZINC000030218839 401861797 /nfs/dbraw/zinc/86/17/97/401861797.db2.gz ZOEQEALQYWLODK-UHFFFAOYSA-N 1 0 303.200 2.389 10 0 DEAERO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCN1C(=O)CNC1=O ZINC000077409915 401814592 /nfs/dbraw/zinc/81/45/92/401814592.db2.gz MQVNCRUUGZFMGP-NSHDSACASA-N 1 0 309.797 2.275 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000087330474 401931137 /nfs/dbraw/zinc/93/11/37/401931137.db2.gz QWDVRJMBBWGTFT-LBPRGKRZSA-N 1 0 324.371 2.386 10 0 DEAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000132892789 401875579 /nfs/dbraw/zinc/87/55/79/401875579.db2.gz HAPAJCSAJGAEOD-HUUCEWRRSA-N 1 0 318.465 2.458 10 0 DEAERO C[C@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@H]1CCCO1 ZINC000079619967 401877931 /nfs/dbraw/zinc/87/79/31/401877931.db2.gz CTYAAGMOLNSYIZ-LSDHHAIUSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H](CCC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000133317253 401882159 /nfs/dbraw/zinc/88/21/59/401882159.db2.gz JHKYUFGXXWPIJT-WBVHZDCISA-N 1 0 304.434 2.359 10 0 DEAERO C[C@@]1(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCO1 ZINC000133355812 401882942 /nfs/dbraw/zinc/88/29/42/401882942.db2.gz PMWZWAZIIUACTF-KRWDZBQOSA-N 1 0 309.454 2.073 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000118103680 401891484 /nfs/dbraw/zinc/89/14/84/401891484.db2.gz JJCZJMHFNAWUHF-ZDUSSCGKSA-N 1 0 317.433 2.133 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000081096844 401893809 /nfs/dbraw/zinc/89/38/09/401893809.db2.gz CCVCVURDHCBAGA-HZMVEIRTSA-N 1 0 309.498 2.343 10 0 DEAERO CC(C)Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1C(F)F ZINC000134625943 401908979 /nfs/dbraw/zinc/90/89/79/401908979.db2.gz YZULSKOQMHKSHF-NSHDSACASA-N 1 0 314.380 2.301 10 0 DEAERO CCN(CC)c1ncc(C[NH2+]C2CCC(C(N)=O)CC2)s1 ZINC000037319380 401912105 /nfs/dbraw/zinc/91/21/05/401912105.db2.gz NCKDOYSCHRQBCK-UHFFFAOYSA-N 1 0 310.467 2.123 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)[C@@H]1CCCO1 ZINC000037889731 401918436 /nfs/dbraw/zinc/91/84/36/401918436.db2.gz UHLCKOYAADKOFQ-NOLJZWGESA-N 1 0 313.825 2.375 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(F)cc1 ZINC000038106258 401922329 /nfs/dbraw/zinc/92/23/29/401922329.db2.gz YQWTYMUVHWQCSD-ZDUSSCGKSA-N 1 0 302.415 2.080 10 0 DEAERO CCc1cc(C(=O)NCCCN2CC[NH+](CC)CC2)oc1CC ZINC000134968628 401922357 /nfs/dbraw/zinc/92/23/57/401922357.db2.gz DYPLFKIDPNOWGW-UHFFFAOYSA-N 1 0 321.465 2.162 10 0 DEAERO COCC1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000119074638 401923812 /nfs/dbraw/zinc/92/38/12/401923812.db2.gz TZJHORKHPQOQSN-UHFFFAOYSA-N 1 0 311.470 2.175 10 0 DEAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CS(C)(=O)=O)cc1 ZINC000089633104 401954624 /nfs/dbraw/zinc/95/46/24/401954624.db2.gz RHTMOVXOFDGJAB-CHWSQXEVSA-N 1 0 321.446 2.264 10 0 DEAERO C[C@@H](O)CCNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119627005 401962109 /nfs/dbraw/zinc/96/21/09/401962109.db2.gz STHKCUBNMCDROV-CRAIPNDOSA-N 1 0 319.449 2.111 10 0 DEAERO CC(C)[N@H+](Cc1nnnn1-c1ccccc1)C1CCOCC1 ZINC000119677395 401962651 /nfs/dbraw/zinc/96/26/51/401962651.db2.gz GINPYGOKWQZTSM-UHFFFAOYSA-N 1 0 301.394 2.052 10 0 DEAERO Cc1cc(C(=O)NCCCC[NH+]2CCOCC2)cc(C)c1F ZINC000136227948 401963866 /nfs/dbraw/zinc/96/38/66/401963866.db2.gz VIBWWBMCICNCNB-UHFFFAOYSA-N 1 0 308.397 2.285 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cncc(C)c2)[C@H](C)C1 ZINC000119714984 401964314 /nfs/dbraw/zinc/96/43/14/401964314.db2.gz XJECKVCZAZFZEK-ZBFHGGJFSA-N 1 0 304.438 2.262 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2cc3ccccc3[nH]2)C1 ZINC000136522552 401968883 /nfs/dbraw/zinc/96/88/83/401968883.db2.gz FDHCXVXNRRSHGV-INIZCTEOSA-N 1 0 314.433 2.494 10 0 DEAERO CCN(CCc1nccs1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000119955297 401972644 /nfs/dbraw/zinc/97/26/44/401972644.db2.gz DFVWVZZRVYSAOJ-CHWSQXEVSA-N 1 0 322.478 2.342 10 0 DEAERO Cc1noc(CCCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000046745633 401972619 /nfs/dbraw/zinc/97/26/19/401972619.db2.gz AIUADCIFQJYDBI-HNNXBMFYSA-N 1 0 316.405 2.120 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Br)n1 ZINC000137077484 401978558 /nfs/dbraw/zinc/97/85/58/401978558.db2.gz XEGWPBNZYPIHHV-WDEREUQCSA-N 1 0 324.222 2.153 10 0 DEAERO CCCCCCNC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000091843181 401998690 /nfs/dbraw/zinc/99/86/90/401998690.db2.gz GQDPJZBCCAOLGX-KRWDZBQOSA-N 1 0 324.513 2.378 10 0 DEAERO C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047460131 401982137 /nfs/dbraw/zinc/98/21/37/401982137.db2.gz FDXPYFXJRINOLF-GFCCVEGCSA-N 1 0 315.373 2.098 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc(F)n1 ZINC000137400883 401982981 /nfs/dbraw/zinc/98/29/81/401982981.db2.gz ZQMUOTDFLDWZGG-AWEZNQCLSA-N 1 0 301.365 2.123 10 0 DEAERO CC(C)N(CC(N)=O)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000120486898 401991550 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CC(C)n1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000093200971 402012840 /nfs/dbraw/zinc/01/28/40/402012840.db2.gz QECRSEDGJMACFK-CABCVRRESA-N 1 0 324.469 2.214 10 0 DEAERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000121103431 402015214 /nfs/dbraw/zinc/01/52/14/402015214.db2.gz XJGWTROBYBEBBG-UONOGXRCSA-N 1 0 315.421 2.079 10 0 DEAERO CC(C)Cc1ncc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)s1 ZINC000093665549 402018826 /nfs/dbraw/zinc/01/88/26/402018826.db2.gz QAECTSHGZAQCCA-OAHLLOKOSA-N 1 0 323.506 2.496 10 0 DEAERO CCOCCN1CCN(C(=O)c2ccc(F)cc2C)C[C@H]1C ZINC000151156533 402020203 /nfs/dbraw/zinc/02/02/03/402020203.db2.gz QDKQLVAMGVMDRR-CQSZACIVSA-N 1 0 308.397 2.317 10 0 DEAERO C[C@@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)C(C)(C)C[NH+](C)C ZINC000121205651 402020328 /nfs/dbraw/zinc/02/03/28/402020328.db2.gz FFHNDXLQHZIJHX-HUUCEWRRSA-N 1 0 321.469 2.033 10 0 DEAERO COc1ccccc1/C=C/CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000093817732 402021227 /nfs/dbraw/zinc/02/12/27/402021227.db2.gz VBZRDYKBDJPCEL-UKINESCASA-N 1 0 316.445 2.363 10 0 DEAERO OCc1nc2cccnc2n1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095078435 402024082 /nfs/dbraw/zinc/02/40/82/402024082.db2.gz WWSCFWBTBODPMI-INIZCTEOSA-N 1 0 322.412 2.446 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)C1 ZINC000121261487 402024228 /nfs/dbraw/zinc/02/42/28/402024228.db2.gz CNOPXZJWMCWFLH-ZBFHGGJFSA-N 1 0 321.421 2.155 10 0 DEAERO [NH3+]CCN1CCC2(CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000095077596 402024315 /nfs/dbraw/zinc/02/43/15/402024315.db2.gz OBRAAJRQSOFUBR-UHFFFAOYSA-N 1 0 317.433 2.070 10 0 DEAERO Cc1cnc(CCN(C)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)s1 ZINC000121352519 402030192 /nfs/dbraw/zinc/03/01/92/402030192.db2.gz ZREJXTLYHFTKNG-DGCLKSJQSA-N 1 0 322.478 2.261 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000121392182 402032610 /nfs/dbraw/zinc/03/26/10/402032610.db2.gz QBLKTQAGYQEVMK-OUJBWJOFSA-N 1 0 301.383 2.057 10 0 DEAERO Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)C[C@@H]3CCCO3)c2cc1C ZINC000052103364 402038861 /nfs/dbraw/zinc/03/88/61/402038861.db2.gz LBVVVBIGAGAEFM-HOTGVXAUSA-N 1 0 317.433 2.125 10 0 DEAERO CCOc1cc(C)nc(N2CCN(Cc3ccco3)CC2)n1 ZINC000121522593 402041366 /nfs/dbraw/zinc/04/13/66/402041366.db2.gz DPSHLNJWJLBERU-UHFFFAOYSA-N 1 0 302.378 2.099 10 0 DEAERO Cc1noc(C)c1CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052555986 402043921 /nfs/dbraw/zinc/04/39/21/402043921.db2.gz JAFXCOWQTAURJL-MRXNPFEDSA-N 1 0 301.390 2.253 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(COC)cc2)C1 ZINC000052524401 402043975 /nfs/dbraw/zinc/04/39/75/402043975.db2.gz YUWISJFRFNYLET-MRXNPFEDSA-N 1 0 305.422 2.117 10 0 DEAERO CSc1ccc(O[C@@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000151601629 402045986 /nfs/dbraw/zinc/04/59/86/402045986.db2.gz CEZCGSIKLQPWIH-QWHCGFSZSA-N 1 0 308.447 2.338 10 0 DEAERO COc1cccc(OCC[NH+]2CCC(n3cncn3)CC2)c1 ZINC000151690859 402050815 /nfs/dbraw/zinc/05/08/15/402050815.db2.gz IMBCGTNEDDHTED-UHFFFAOYSA-N 1 0 302.378 2.003 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cncc(OC(C)C)c1 ZINC000121761874 402051542 /nfs/dbraw/zinc/05/15/42/402051542.db2.gz PRLUELGYSVZKBQ-OAHLLOKOSA-N 1 0 305.422 2.425 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(CO)c1 ZINC000121962551 402057901 /nfs/dbraw/zinc/05/79/01/402057901.db2.gz WUTIKRNXYJEVLW-WMLDXEAASA-N 1 0 314.433 2.232 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000150853078 402001036 /nfs/dbraw/zinc/00/10/36/402001036.db2.gz YCUBAXKHXJGLPN-YPMHNXCESA-N 1 0 305.378 2.266 10 0 DEAERO C[C@H]1CN(C2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)CCO1 ZINC000092079631 402001681 /nfs/dbraw/zinc/00/16/81/402001681.db2.gz QRYKFNGGXIFQRH-AWEZNQCLSA-N 1 0 320.481 2.392 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](CCO)CC(C)C ZINC000120866436 402005340 /nfs/dbraw/zinc/00/53/40/402005340.db2.gz XUGCIDRHJSLFME-JKSUJKDBSA-N 1 0 313.486 2.157 10 0 DEAERO COc1ccc(O[C@@H](C)C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000152167210 402079365 /nfs/dbraw/zinc/07/93/65/402079365.db2.gz IFHXQBCHQPTNAB-SUMWQHHRSA-N 1 0 314.385 2.279 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000152167166 402079526 /nfs/dbraw/zinc/07/95/26/402079526.db2.gz IFHXQBCHQPTNAB-DYVFJYSZSA-N 1 0 314.385 2.279 10 0 DEAERO COCCOc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000122758930 402093623 /nfs/dbraw/zinc/09/36/23/402093623.db2.gz IPNMYASCMFJZLA-GJZGRUSLSA-N 1 0 320.433 2.267 10 0 DEAERO COc1ccccc1C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)C(C)C ZINC000152489111 402097360 /nfs/dbraw/zinc/09/73/60/402097360.db2.gz AGOIDRAWWODLBB-HZPDHXFCSA-N 1 0 304.434 2.473 10 0 DEAERO CC(C)[C@H](O)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000152767765 402107951 /nfs/dbraw/zinc/10/79/51/402107951.db2.gz BRXRBFNWLAHYAD-IAGOWNOFSA-N 1 0 319.449 2.140 10 0 DEAERO C[C@@H]1C[C@@H](N(C)Cc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1C ZINC000123116784 402111209 /nfs/dbraw/zinc/11/12/09/402111209.db2.gz XEOXULBCLNANRT-PBHICJAKSA-N 1 0 303.450 2.303 10 0 DEAERO CCOc1cccc(CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000122146665 402063696 /nfs/dbraw/zinc/06/36/96/402063696.db2.gz UMTGCUWLKVITRF-QGZVFWFLSA-N 1 0 301.390 2.183 10 0 DEAERO C[C@H](CO)[C@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000151903134 402064670 /nfs/dbraw/zinc/06/46/70/402064670.db2.gz OYESNKMWNJKCAV-NEPJUHHUSA-N 1 0 304.390 2.241 10 0 DEAERO Cc1cc(C)n(CCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000097394479 402124442 /nfs/dbraw/zinc/12/44/42/402124442.db2.gz FXNSCGSUDXQPJS-MRXNPFEDSA-N 1 0 323.485 2.166 10 0 DEAERO CC(C)[C@@H](O)CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000153079203 402125268 /nfs/dbraw/zinc/12/52/68/402125268.db2.gz UKFNQHMBUFUOMI-KRWDZBQOSA-N 1 0 319.449 2.099 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2OC(=O)c3ccccc32)CC[N@@H+]1C ZINC000123401316 402126121 /nfs/dbraw/zinc/12/61/21/402126121.db2.gz AMUATTFVQMBYFE-DVOMOZLQSA-N 1 0 316.401 2.229 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)c1cccc2c1OCO2)c1ccccc1 ZINC000097496914 402126228 /nfs/dbraw/zinc/12/62/28/402126228.db2.gz YKLYFTGOIQLWHC-OAHLLOKOSA-N 1 0 312.369 2.448 10 0 DEAERO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCC2=CCCC2)c1 ZINC000123682961 402141303 /nfs/dbraw/zinc/14/13/03/402141303.db2.gz OPTZXPCMLXHNPR-UHFFFAOYSA-N 1 0 315.417 2.303 10 0 DEAERO CCCC(=O)N1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123521044 402132424 /nfs/dbraw/zinc/13/24/24/402132424.db2.gz ZFGWZLRMVAEONE-BZUAXINKSA-N 1 0 323.481 2.109 10 0 DEAERO CC[C@H]1CN(c2cncc(OCC(C)C)n2)CC[N@@H+]1CCOC ZINC000153286792 402137082 /nfs/dbraw/zinc/13/70/82/402137082.db2.gz DGZGXJNFUPIHSO-HNNXBMFYSA-N 1 0 322.453 2.058 10 0 DEAERO CC(=O)c1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123610524 402137860 /nfs/dbraw/zinc/13/78/60/402137860.db2.gz CINBLVGYJLCTAE-DZGCQCFKSA-N 1 0 317.433 2.242 10 0 DEAERO Cc1cccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000123738596 402144085 /nfs/dbraw/zinc/14/40/85/402144085.db2.gz VJLANFIAIKTBPT-QGZVFWFLSA-N 1 0 312.417 2.492 10 0 DEAERO CC(C)[C@@H](O)CNC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000153461521 402147025 /nfs/dbraw/zinc/14/70/25/402147025.db2.gz GZLHGASEVXMHLA-CVEARBPZSA-N 1 0 313.486 2.059 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(-c2cccnc2)on1 ZINC000068224089 402188186 /nfs/dbraw/zinc/18/81/86/402188186.db2.gz UKERBOQSUNEIPK-CQSZACIVSA-N 1 0 316.405 2.443 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124798807 402198034 /nfs/dbraw/zinc/19/80/34/402198034.db2.gz ZCPNWXWMMZAFBV-MRXNPFEDSA-N 1 0 304.438 2.001 10 0 DEAERO CCCC1(CNC(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)CC1 ZINC000154198741 402198274 /nfs/dbraw/zinc/19/82/74/402198274.db2.gz DYHHJQWJWVFARN-HNNXBMFYSA-N 1 0 311.470 2.319 10 0 DEAERO CC(C)[C@H](O)C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000124828838 402199584 /nfs/dbraw/zinc/19/95/84/402199584.db2.gz KLCRCUYFIVWRNQ-WCQYABFASA-N 1 0 322.232 2.340 10 0 DEAERO CC[N@H+](CCNC(=O)N(C)Cc1ccc(Cl)nc1)C1CC1 ZINC000102067396 402162352 /nfs/dbraw/zinc/16/23/52/402162352.db2.gz AZWCBVLHLOHLRO-UHFFFAOYSA-N 1 0 310.829 2.361 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000124127717 402164974 /nfs/dbraw/zinc/16/49/74/402164974.db2.gz TZCUNQMMLIRPKO-INIZCTEOSA-N 1 0 316.449 2.483 10 0 DEAERO CCCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cn1 ZINC000124137339 402165425 /nfs/dbraw/zinc/16/54/25/402165425.db2.gz YJKOHPOOGIYIGF-HNNXBMFYSA-N 1 0 306.454 2.277 10 0 DEAERO C[NH+](C)CCC1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000124136922 402165577 /nfs/dbraw/zinc/16/55/77/402165577.db2.gz XEDXFDVGOYBYGH-UHFFFAOYSA-N 1 0 307.413 2.428 10 0 DEAERO CC[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C[C@H](C)O1 ZINC000124211405 402168798 /nfs/dbraw/zinc/16/87/98/402168798.db2.gz LKQLMYXVSFDLGV-XHSDSOJGSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(OC(F)F)c1 ZINC000124376592 402177321 /nfs/dbraw/zinc/17/73/21/402177321.db2.gz FBEPXRQMSIGXJY-SNVBAGLBSA-N 1 0 313.348 2.482 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CCC1CCOCC1 ZINC000125214916 402219771 /nfs/dbraw/zinc/21/97/71/402219771.db2.gz CZURVYWKCZBVSO-MRXNPFEDSA-N 1 0 313.486 2.421 10 0 DEAERO CN(Cc1cscn1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106911329 402222003 /nfs/dbraw/zinc/22/20/03/402222003.db2.gz HPRVWLWPDCPVRX-HNNXBMFYSA-N 1 0 303.431 2.274 10 0 DEAERO Cc1ccc(NC(=O)NCC2(C)COC2)c(OCC[NH+](C)C)c1 ZINC000154685026 402225737 /nfs/dbraw/zinc/22/57/37/402225737.db2.gz ILSOUTKNRWHLJI-UHFFFAOYSA-N 1 0 321.421 2.093 10 0 DEAERO CC(C)C[C@H]1CCCCCN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000154744491 402229330 /nfs/dbraw/zinc/22/93/30/402229330.db2.gz BWLMUBQYMUBLQY-HZPDHXFCSA-N 1 0 311.470 2.317 10 0 DEAERO CC[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000125395474 402229829 /nfs/dbraw/zinc/22/98/29/402229829.db2.gz DYBRHLBATDUTMG-PRLABOORSA-N 1 0 311.470 2.316 10 0 DEAERO COc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(O)c1 ZINC000107528195 402234711 /nfs/dbraw/zinc/23/47/11/402234711.db2.gz KROSIJVIPGEEET-AWEZNQCLSA-N 1 0 318.417 2.491 10 0 DEAERO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C3=COCCC3)CC2)C[C@H](C)O1 ZINC000107586587 402236022 /nfs/dbraw/zinc/23/60/22/402236022.db2.gz WABIYFXKCPOAGX-GASCZTMLSA-N 1 0 322.449 2.029 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000069701291 402239240 /nfs/dbraw/zinc/23/92/40/402239240.db2.gz KUYPNGFFSBCCSV-LLVKDONJSA-N 1 0 321.450 2.004 10 0 DEAERO CNC(=O)CCC[N@H+](C)C[C@@H](O)COc1ccccc1C(C)C ZINC000154986075 402240743 /nfs/dbraw/zinc/24/07/43/402240743.db2.gz YADMFDCZGOCWMN-OAHLLOKOSA-N 1 0 322.449 2.008 10 0 DEAERO COc1ccc(CC2CC[NH+](CC(=O)NC3CC3)CC2)cc1 ZINC000155181854 402247739 /nfs/dbraw/zinc/24/77/39/402247739.db2.gz OTZPGAUVDGGWFM-UHFFFAOYSA-N 1 0 302.418 2.228 10 0 DEAERO COCCCOc1cccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1 ZINC000155194244 402248355 /nfs/dbraw/zinc/24/83/55/402248355.db2.gz NNFVVYPYGNGRNE-GJZGRUSLSA-N 1 0 320.433 2.267 10 0 DEAERO CSCCC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000155262182 402250754 /nfs/dbraw/zinc/25/07/54/402250754.db2.gz GXPQIVMBHJQGOM-CYBMUJFWSA-N 1 0 307.463 2.476 10 0 DEAERO O=C(CCN1CC[NH+](C2CC2)CC1)Nc1cccc(Cl)c1 ZINC000125925073 402256748 /nfs/dbraw/zinc/25/67/48/402256748.db2.gz MOABDKOJPHMLKB-UHFFFAOYSA-N 1 0 307.825 2.449 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCc1sc(C)nc1C ZINC000108552323 402257055 /nfs/dbraw/zinc/25/70/55/402257055.db2.gz AHCCLCYOPPAPNQ-LLVKDONJSA-N 1 0 312.483 2.332 10 0 DEAERO COc1ccccc1C[C@@H]([NH2+]CCNC(=O)C1CC1)C(C)C ZINC000155457682 402257986 /nfs/dbraw/zinc/25/79/86/402257986.db2.gz YGMDVYYUSQZAPL-MRXNPFEDSA-N 1 0 304.434 2.378 10 0 DEAERO [NH3+][C@H]1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)C1 ZINC000070458010 402261168 /nfs/dbraw/zinc/26/11/68/402261168.db2.gz DPDULQFWWIVKGY-ZDUSSCGKSA-N 1 0 307.357 2.336 10 0 DEAERO COc1ccc(-c2cc(N3CCC[C@H]([NH3+])C3)n[nH]2)cc1OC ZINC000070460134 402261339 /nfs/dbraw/zinc/26/13/39/402261339.db2.gz KCJFKAGCZUUWJZ-LBPRGKRZSA-N 1 0 302.378 2.021 10 0 DEAERO Cc1cc(-c2noc([C@@H](C)N3CCNC(=O)CC3)n2)ccc1F ZINC000126158933 402267184 /nfs/dbraw/zinc/26/71/84/402267184.db2.gz ILFKFZCBTZVLEQ-LLVKDONJSA-N 1 0 318.352 2.067 10 0 DEAERO CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1[NH3+] ZINC000071186769 402270694 /nfs/dbraw/zinc/27/06/94/402270694.db2.gz JRBKUWVIXPIARC-KGLIPLIRSA-N 1 0 320.389 2.272 10 0 DEAERO CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H]1[NH3+] ZINC000071186555 402270948 /nfs/dbraw/zinc/27/09/48/402270948.db2.gz JRBKUWVIXPIARC-ZIAGYGMSSA-N 1 0 320.389 2.272 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)Cc2cccnc2)CC1 ZINC000109397393 402271773 /nfs/dbraw/zinc/27/17/73/402271773.db2.gz XIDKAENEJYNZFX-UHFFFAOYSA-N 1 0 304.438 2.345 10 0 DEAERO CCOc1cccnc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000176070653 402275375 /nfs/dbraw/zinc/27/53/75/402275375.db2.gz MWGFPUMCLNQNQY-KBPBESRZSA-N 1 0 305.422 2.331 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(F)ccc1C ZINC000110085322 402281059 /nfs/dbraw/zinc/28/10/59/402281059.db2.gz IZRDHNVVFQLOSJ-CQSZACIVSA-N 1 0 309.385 2.366 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2NCc2cccnc2)C1 ZINC000176132612 402281843 /nfs/dbraw/zinc/28/18/43/402281843.db2.gz CMZFKXHXKQWJLQ-MRXNPFEDSA-N 1 0 324.428 2.470 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)C1CCCC1 ZINC000184648086 402288153 /nfs/dbraw/zinc/28/81/53/402288153.db2.gz NZMHSFUSVFFOIY-GFCCVEGCSA-N 1 0 301.390 2.140 10 0 DEAERO CC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000176194682 402288855 /nfs/dbraw/zinc/28/88/55/402288855.db2.gz UIGZNZGTJRXUCI-CVEARBPZSA-N 1 0 318.417 2.109 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1COc2ccccc2C1 ZINC000176235981 402293206 /nfs/dbraw/zinc/29/32/06/402293206.db2.gz GDQPEALRQMFXAT-HZPDHXFCSA-N 1 0 317.433 2.116 10 0 DEAERO COc1c(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c(C)nn1C ZINC000185112954 402325211 /nfs/dbraw/zinc/32/52/11/402325211.db2.gz UMPMWXYRTYQEMJ-INIZCTEOSA-N 1 0 323.824 2.388 10 0 DEAERO O=C(c1c[nH]nc1-c1ccccc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176298897 402298063 /nfs/dbraw/zinc/29/80/63/402298063.db2.gz HCQQMABILKNNQJ-GFCCVEGCSA-N 1 0 314.364 2.136 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1nc2c(s1)COCC2 ZINC000176357860 402302626 /nfs/dbraw/zinc/30/26/26/402302626.db2.gz MLJSLLIPMDIIOH-NSHDSACASA-N 1 0 324.450 2.164 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cnn(CC(F)F)c1 ZINC000176363531 402303314 /nfs/dbraw/zinc/30/33/14/402303314.db2.gz IITYKBXWMGESLM-GFCCVEGCSA-N 1 0 315.368 2.096 10 0 DEAERO C[C@H](CC[NH2+]Cc1cccc(C(N)=O)c1)NC(=O)OC(C)(C)C ZINC000222078810 402305790 /nfs/dbraw/zinc/30/57/90/402305790.db2.gz LMWZXTVGWWRJTP-GFCCVEGCSA-N 1 0 321.421 2.178 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)s1 ZINC000176399470 402306048 /nfs/dbraw/zinc/30/60/48/402306048.db2.gz RVQLLBSVIKZWCX-STQMWFEESA-N 1 0 323.462 2.469 10 0 DEAERO C[C@H](CO)[C@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184879570 402306307 /nfs/dbraw/zinc/30/63/07/402306307.db2.gz LIZWNQXNSLOKMQ-CVEARBPZSA-N 1 0 318.461 2.422 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000176407872 402306547 /nfs/dbraw/zinc/30/65/47/402306547.db2.gz JLPUZLGRFWISBE-NEPJUHHUSA-N 1 0 311.451 2.325 10 0 DEAERO O=C(NCc1ccccc1)C1CC[NH+](CCOCC2CC2)CC1 ZINC000158593584 402308602 /nfs/dbraw/zinc/30/86/02/402308602.db2.gz UYYFSTKDAGMUQY-UHFFFAOYSA-N 1 0 316.445 2.441 10 0 DEAERO CC[N@H+](CCNC(=O)N[C@H](C)COCc1ccccc1)C1CC1 ZINC000176457804 402311079 /nfs/dbraw/zinc/31/10/79/402311079.db2.gz VEDROXCLWBDKQS-OAHLLOKOSA-N 1 0 319.449 2.375 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000176459881 402311856 /nfs/dbraw/zinc/31/18/56/402311856.db2.gz VBSZFTBDQUOZQB-ZDUSSCGKSA-N 1 0 310.482 2.220 10 0 DEAERO CCO[C@@H](CCNC(=O)N1CC[C@H]([NH+](C)C)C1)C1CCCC1 ZINC000176504688 402315552 /nfs/dbraw/zinc/31/55/52/402315552.db2.gz ORCFXENCBDKSLS-HOTGVXAUSA-N 1 0 311.470 2.317 10 0 DEAERO CCc1cc(=O)[nH]c(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)n1 ZINC000225516463 402319883 /nfs/dbraw/zinc/31/98/83/402319883.db2.gz XLZBOQURGDPVPD-LSDHHAIUSA-N 1 0 317.364 2.192 10 0 DEAERO Cc1ccsc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176862885 402344110 /nfs/dbraw/zinc/34/41/10/402344110.db2.gz XJGMKBMOCFKZOO-CYBMUJFWSA-N 1 0 310.463 2.221 10 0 DEAERO Cc1ccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000176888141 402346340 /nfs/dbraw/zinc/34/63/40/402346340.db2.gz IOSPSMDUORBZQE-LBPRGKRZSA-N 1 0 310.463 2.221 10 0 DEAERO CC[C@@H]1[C@H](C)CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000185368988 402347729 /nfs/dbraw/zinc/34/77/29/402347729.db2.gz FMHVAJLBAQTOME-GDBMZVCRSA-N 1 0 316.449 2.094 10 0 DEAERO O=C([C@@H]1CSCCS1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000177283785 402387436 /nfs/dbraw/zinc/38/74/36/402387436.db2.gz DPRZUCJEMRIDSA-AWEZNQCLSA-N 1 0 314.520 2.169 10 0 DEAERO COc1ccc([C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000176956414 402354222 /nfs/dbraw/zinc/35/42/22/402354222.db2.gz HJCWROMCBMPLMX-WBMJQRKESA-N 1 0 311.447 2.417 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1nnc(C(C)C)o1 ZINC000176973603 402355795 /nfs/dbraw/zinc/35/57/95/402355795.db2.gz RDQVLBQTPGIPQA-CYBMUJFWSA-N 1 0 308.426 2.068 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(N2CCCC2)nc1 ZINC000176982425 402356831 /nfs/dbraw/zinc/35/68/31/402356831.db2.gz XYMHEUCPWKQDIU-MRXNPFEDSA-N 1 0 316.449 2.238 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)N(C)C ZINC000177001249 402358116 /nfs/dbraw/zinc/35/81/16/402358116.db2.gz FYYBZYIOKPSCNK-DLBZAZTESA-N 1 0 303.450 2.232 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1nc(C(C)C)no1 ZINC000177028033 402360751 /nfs/dbraw/zinc/36/07/51/402360751.db2.gz MTSBMKDKBWQMEU-CYBMUJFWSA-N 1 0 308.426 2.068 10 0 DEAERO COC[C@H](C)OC[C@H](O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000234807348 402360804 /nfs/dbraw/zinc/36/08/04/402360804.db2.gz GPJKYYCXCRTLCX-SWLSCSKDSA-N 1 0 301.814 2.184 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCc2ccc(F)cc2)[C@@H](C)C1 ZINC000177029222 402361087 /nfs/dbraw/zinc/36/10/87/402361087.db2.gz ZGQXOSMWHVSUAZ-BBRMVZONSA-N 1 0 307.413 2.396 10 0 DEAERO CCC1CCC(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000185569368 402361975 /nfs/dbraw/zinc/36/19/75/402361975.db2.gz GYZZMNAVWVMHSC-KLAILNCOSA-N 1 0 324.513 2.280 10 0 DEAERO CCOc1ccc(NC(=O)N2CC[NH+]([C@H](CC)CO)CC2)cc1 ZINC000177083820 402368042 /nfs/dbraw/zinc/36/80/42/402368042.db2.gz GMKRNTMDFRRTTO-OAHLLOKOSA-N 1 0 321.421 2.006 10 0 DEAERO CCc1ccccc1NC(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000177102229 402370058 /nfs/dbraw/zinc/37/00/58/402370058.db2.gz UMMKWDVKRPBZJO-OAHLLOKOSA-N 1 0 305.422 2.169 10 0 DEAERO CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000236695189 402375079 /nfs/dbraw/zinc/37/50/79/402375079.db2.gz MQYBUWKOJHFJLA-AWEZNQCLSA-N 1 0 315.417 2.153 10 0 DEAERO CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000236695619 402375265 /nfs/dbraw/zinc/37/52/65/402375265.db2.gz MQYBUWKOJHFJLA-CQSZACIVSA-N 1 0 315.417 2.153 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000185800982 402378078 /nfs/dbraw/zinc/37/80/78/402378078.db2.gz YHYRSADGZQJXTK-HOTGVXAUSA-N 1 0 313.486 2.299 10 0 DEAERO CN(C)c1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000185820504 402380313 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CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(-c2ncon2)cc1 ZINC000162060766 402408015 /nfs/dbraw/zinc/40/80/15/402408015.db2.gz IFQFMJPHKLDLPR-CQSZACIVSA-N 1 0 302.378 2.182 10 0 DEAERO CCC[C@H](C(=O)NCCc1nc2c(cccc2F)n1C)[NH+](C)C ZINC000162070742 402408647 /nfs/dbraw/zinc/40/86/47/402408647.db2.gz VNNFMCZNZPYBGZ-CQSZACIVSA-N 1 0 320.412 2.101 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)C1 ZINC000237965697 402429018 /nfs/dbraw/zinc/42/90/18/402429018.db2.gz NABLVOZWPKLBKN-YUTCNCBUSA-N 1 0 322.380 2.449 10 0 DEAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H]3CCCN(C(C)C)C3=O)C2)c1 ZINC000177713368 402429472 /nfs/dbraw/zinc/42/94/72/402429472.db2.gz KAQPQSAKTCVGQL-HZPDHXFCSA-N 1 0 304.438 2.228 10 0 DEAERO O=C([C@H]1CC12CC[NH2+]CC2)N(C[C@H]1CCCO1)C1CCCC1 ZINC000237990225 402430478 /nfs/dbraw/zinc/43/04/78/402430478.db2.gz HTGPGENGQPRPQJ-HZPDHXFCSA-N 1 0 306.450 2.326 10 0 DEAERO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cccc(NC(=O)C2CC2)c1 ZINC000238039488 402433811 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CCOC(=O)[C@@H]1CCCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000161616949 402393735 /nfs/dbraw/zinc/39/37/35/402393735.db2.gz LWOMZEOKRVABOC-INIZCTEOSA-N 1 0 308.397 2.285 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000187984872 402514473 /nfs/dbraw/zinc/51/44/73/402514473.db2.gz AGMRYHSTLUAHHS-VCBZYWHSSA-N 1 0 316.445 2.447 10 0 DEAERO CCCOCc1ccccc1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000163647326 402454622 /nfs/dbraw/zinc/45/46/22/402454622.db2.gz OMAKZOZWZFQEEV-UHFFFAOYSA-N 1 0 305.422 2.246 10 0 DEAERO CCc1nc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000246119571 402511830 /nfs/dbraw/zinc/51/18/30/402511830.db2.gz IHKDLHQGEZWOKY-AAEUAGOBSA-N 1 0 310.467 2.330 10 0 DEAERO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000245403948 402456738 /nfs/dbraw/zinc/45/67/38/402456738.db2.gz NLQTUUUOOUZWKO-IIAWOOMASA-N 1 0 318.417 2.137 10 0 DEAERO CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)C1)C1CCCCC1 ZINC000245404542 402457276 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C[N@H+](CCO)C1CCN(C(=O)N[C@H]2CCCCC2(C)C)CC1 ZINC000164266362 402460933 /nfs/dbraw/zinc/46/09/33/402460933.db2.gz SJKZTWSZRUDMSV-HNNXBMFYSA-N 1 0 311.470 2.053 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC000245439733 402461208 /nfs/dbraw/zinc/46/12/08/402461208.db2.gz TVDGRXKSYABCHY-CAOSSQGBSA-N 1 0 322.449 2.051 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1CC1(C)C ZINC000245507248 402466760 /nfs/dbraw/zinc/46/67/60/402466760.db2.gz HYGWCCWKDSGXPU-FVQBIDKESA-N 1 0 301.434 2.454 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)on3)C[C@@H]12 ZINC000186908954 402471288 /nfs/dbraw/zinc/47/12/88/402471288.db2.gz ZXFVJBBGXKYRDC-MRVWCRGKSA-N 1 0 315.348 2.290 10 0 DEAERO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C)n1 ZINC000245563906 402471571 /nfs/dbraw/zinc/47/15/71/402471571.db2.gz NMDVTPAIZLBNLM-IRXDYDNUSA-N 1 0 310.401 2.269 10 0 DEAERO O=C1NCCCC[C@@H]1[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000245589657 402473392 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COCCCOc1ccccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171080700 402555969 /nfs/dbraw/zinc/55/59/69/402555969.db2.gz QWNRROJXKLFTFV-AWEZNQCLSA-N 1 0 321.421 2.270 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(-c3ccccc3)nc2C)C1 ZINC000171088096 402556406 /nfs/dbraw/zinc/55/64/06/402556406.db2.gz DSEKUPXSPQHCDV-OAHLLOKOSA-N 1 0 312.417 2.395 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2ccsc2)no1 ZINC000247162408 402558933 /nfs/dbraw/zinc/55/89/33/402558933.db2.gz KKMVXHOHWPVFNG-AAEUAGOBSA-N 1 0 304.419 2.467 10 0 DEAERO Cc1ccc(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(C)c1 ZINC000247192758 402559617 /nfs/dbraw/zinc/55/96/17/402559617.db2.gz LHMOQABAZBYWQR-CVEARBPZSA-N 1 0 301.434 2.410 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)CC1 ZINC000179138523 402575266 /nfs/dbraw/zinc/57/52/66/402575266.db2.gz UVSUTNMBKRTIOA-UHFFFAOYSA-N 1 0 324.475 2.248 10 0 DEAERO CCOCC[N@@H+]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1CC ZINC000247238694 402560541 /nfs/dbraw/zinc/56/05/41/402560541.db2.gz SBFHFYLWMGJQGZ-ZWKOTPCHSA-N 1 0 306.450 2.153 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)cc2c1OCOC2 ZINC000247311161 402562989 /nfs/dbraw/zinc/56/29/89/402562989.db2.gz NZQRDRQPEHNHBC-LRDDRELGSA-N 1 0 306.381 2.361 10 0 DEAERO C[NH2+]C[C@@H]1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000179011567 402564606 /nfs/dbraw/zinc/56/46/06/402564606.db2.gz REIAVYGXYZQTLQ-AWEZNQCLSA-N 1 0 304.434 2.431 10 0 DEAERO COCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(C)o2)CC1 ZINC000171192031 402565150 /nfs/dbraw/zinc/56/51/50/402565150.db2.gz ROKQPGLFPSUHIX-CQSZACIVSA-N 1 0 323.437 2.449 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)Nc1ccc(F)c(F)c1 ZINC000246182341 402516370 /nfs/dbraw/zinc/51/63/70/402516370.db2.gz KWMYHSOBFWJOAX-ZDUSSCGKSA-N 1 0 309.360 2.073 10 0 DEAERO C[C@@H](NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000178619581 402518233 /nfs/dbraw/zinc/51/82/33/402518233.db2.gz XMEFICWUWBLAFF-CZUORRHYSA-N 1 0 321.852 2.297 10 0 DEAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1cc(Cl)ccc1F ZINC000178627282 402518818 /nfs/dbraw/zinc/51/88/18/402518818.db2.gz DEBIOYOIAWGRGL-GFCCVEGCSA-N 1 0 311.788 2.198 10 0 DEAERO C[C@H]1CCc2ccccc2N1C(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178634342 402520172 /nfs/dbraw/zinc/52/01/72/402520172.db2.gz RKRVLLCNVDXQGB-DOTOQJQBSA-N 1 0 313.445 2.134 10 0 DEAERO CCC[C@@H](C(=O)N1CCC[C@@H](n2ccnc2CC)C1)[NH+](C)C ZINC000179110093 402573470 /nfs/dbraw/zinc/57/34/70/402573470.db2.gz JLGBSVQBZVVQAP-CABCVRRESA-N 1 0 306.454 2.339 10 0 DEAERO O=C(c1ccc(Br)cn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000170758357 402521476 /nfs/dbraw/zinc/52/14/76/402521476.db2.gz GXDYTMAJEZHIIS-UHFFFAOYSA-N 1 0 324.222 2.154 10 0 DEAERO CCC[C@H](C(=O)N1CCO[C@@H](c2cccc(F)c2)C1)[NH+](C)C ZINC000178656541 402522397 /nfs/dbraw/zinc/52/23/97/402522397.db2.gz GKNTWTZXFFDZPK-HZPDHXFCSA-N 1 0 308.397 2.456 10 0 DEAERO CC(C)[C@H]1CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000246293143 402523159 /nfs/dbraw/zinc/52/31/59/402523159.db2.gz LBFUVYUNRRKUFM-CVEARBPZSA-N 1 0 316.511 2.416 10 0 DEAERO CCC[C@H](C(=O)N1CCC[C@@H](n2ccnc2CC)C1)[NH+](C)C ZINC000179110109 402573644 /nfs/dbraw/zinc/57/36/44/402573644.db2.gz JLGBSVQBZVVQAP-HUUCEWRRSA-N 1 0 306.454 2.339 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000246324688 402525251 /nfs/dbraw/zinc/52/52/51/402525251.db2.gz NEONIFQZFMDFSN-FVQBIDKESA-N 1 0 317.433 2.492 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000170793289 402526118 /nfs/dbraw/zinc/52/61/18/402526118.db2.gz OQQIUOQGUOCCFX-DZGCQCFKSA-N 1 0 302.422 2.358 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)c1cccnc1 ZINC000246372057 402527562 /nfs/dbraw/zinc/52/75/62/402527562.db2.gz QIMIMJMRDCFTRS-BMFZPTHFSA-N 1 0 302.422 2.411 10 0 DEAERO CC[C@H](Oc1ccccc1C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246397386 402529098 /nfs/dbraw/zinc/52/90/98/402529098.db2.gz FCIZZGKHUHZTGH-HOTGVXAUSA-N 1 0 302.418 2.459 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246405216 402529494 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Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCCC(C)(C)C ZINC000178748422 402534476 /nfs/dbraw/zinc/53/44/76/402534476.db2.gz XMYZJAKTENGITE-HNNXBMFYSA-N 1 0 306.454 2.208 10 0 DEAERO COC(=O)c1cccc(OCC[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c1 ZINC000189348683 402534549 /nfs/dbraw/zinc/53/45/49/402534549.db2.gz QQKUEEKNYOWCFG-BBRMVZONSA-N 1 0 307.390 2.209 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccn2Cc2cccs2)C1 ZINC000170864638 402535070 /nfs/dbraw/zinc/53/50/70/402535070.db2.gz SAWYUOSCORYTSE-ZDUSSCGKSA-N 1 0 303.431 2.374 10 0 DEAERO Cc1oc(-c2ccsc2)nc1CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170868359 402535629 /nfs/dbraw/zinc/53/56/29/402535629.db2.gz RWXBOFCGBXPPTQ-CYBMUJFWSA-N 1 0 319.430 2.417 10 0 DEAERO CN(C(=O)CCC(=O)c1ccc2c(c1)CCCC2)[C@H]1CC[NH2+]C1 ZINC000179119366 402574288 /nfs/dbraw/zinc/57/42/88/402574288.db2.gz DPQRWDFGOZEXJH-KRWDZBQOSA-N 1 0 314.429 2.349 10 0 DEAERO CC[C@H]1CN(C(=O)CCc2cccc(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000246676110 402540501 /nfs/dbraw/zinc/54/05/01/402540501.db2.gz ANIXMKRBKXISLC-WMZOPIPTSA-N 1 0 318.461 2.231 10 0 DEAERO CCCNC(=O)NC(=O)CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190162335 402579842 /nfs/dbraw/zinc/57/98/42/402579842.db2.gz HKQQOGAKDZONMZ-JTQLQIEISA-N 1 0 323.359 2.133 10 0 DEAERO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248022412 402580667 /nfs/dbraw/zinc/58/06/67/402580667.db2.gz NZGDPEKNODHESL-MUQADHOPSA-N 1 0 308.466 2.308 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cccc(COC)c2)C[C@@H]1C ZINC000179212928 402581524 /nfs/dbraw/zinc/58/15/24/402581524.db2.gz DDMAQUTVACFFSG-INIZCTEOSA-N 1 0 306.450 2.376 10 0 DEAERO CC1CC[NH+](C[C@H]2CCCN(C[C@@H](O)C(F)(F)F)C2)CC1 ZINC000248389900 402589105 /nfs/dbraw/zinc/58/91/05/402589105.db2.gz HKDIKSXIBZMUBN-ZIAGYGMSSA-N 1 0 308.388 2.354 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(NC(=O)OC)c2)C1 ZINC000171479463 402589420 /nfs/dbraw/zinc/58/94/20/402589420.db2.gz CEJGJOPWGCAYPG-AWEZNQCLSA-N 1 0 305.378 2.079 10 0 DEAERO CC1([C@@H]2CCC[N@@H+]([C@@H]3Cc4ccccc4[C@H]3O)C2)OCCO1 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C[C@@H]1C[C@H](NC(=O)[C@H]2CCOC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000248833280 402609955 /nfs/dbraw/zinc/60/99/55/402609955.db2.gz MXPDGWRZQNSISH-LMSBXDPUSA-N 1 0 316.445 2.438 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@](C)(OC)c2ccccc2F)C1 ZINC000248846193 402611136 /nfs/dbraw/zinc/61/11/36/402611136.db2.gz RUCKTAKWJJOCGI-DYVFJYSZSA-N 1 0 308.397 2.288 10 0 DEAERO C[C@H]1C[N@H+](CCC(=O)NC(=O)Nc2ccccc2)CCS1 ZINC000171695968 402611315 /nfs/dbraw/zinc/61/13/15/402611315.db2.gz VYNWKDFOCXUZSJ-LBPRGKRZSA-N 1 0 307.419 2.162 10 0 DEAERO C[C@@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1cccc(O)c1 ZINC000248862941 402611730 /nfs/dbraw/zinc/61/17/30/402611730.db2.gz XRKJRLUAKDYOCF-GUTXKFCHSA-N 1 0 303.406 2.331 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC000248902454 402614156 /nfs/dbraw/zinc/61/41/56/402614156.db2.gz ALBAFEUZLKRDGI-YQQAZPJKSA-N 1 0 310.482 2.364 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC2(C)OCCCO2)cc1NC(C)=O ZINC000190643862 402615917 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CC(C)Oc1cccc(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000195338743 402842778 /nfs/dbraw/zinc/84/27/78/402842778.db2.gz XXIGTMKEKYSYCB-MRXNPFEDSA-N 1 0 302.418 2.323 10 0 DEAERO Cc1cscc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175420477 402805337 /nfs/dbraw/zinc/80/53/37/402805337.db2.gz LJNAQRSJXUVHMO-CYBMUJFWSA-N 1 0 310.463 2.221 10 0 DEAERO Cc1nccn1CCCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175466376 402808946 /nfs/dbraw/zinc/80/89/46/402808946.db2.gz FWBNNTQIMUKUAH-ZBFHGGJFSA-N 1 0 321.469 2.096 10 0 DEAERO CCOc1cccnc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000175922926 402843060 /nfs/dbraw/zinc/84/30/60/402843060.db2.gz UOWDOZGGPDYUKR-AWEZNQCLSA-N 1 0 305.422 2.475 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCCc1nc2ccccc2[nH]1 ZINC000194703733 402811638 /nfs/dbraw/zinc/81/16/38/402811638.db2.gz SLCFKTWVINQDNL-ZDUSSCGKSA-N 1 0 300.406 2.096 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000194721373 402812235 /nfs/dbraw/zinc/81/22/35/402812235.db2.gz UAUHJEPIQDVFSM-INIZCTEOSA-N 1 0 320.481 2.299 10 0 DEAERO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)ccc1OC(F)F ZINC000194748470 402814445 /nfs/dbraw/zinc/81/44/45/402814445.db2.gz LGGDVCWRGILVDU-NSHDSACASA-N 1 0 314.332 2.121 10 0 DEAERO CCN1CC[NH+](CCCCNC(=O)N2C[C@H](C)CC[C@H]2C)CC1 ZINC000175531912 402815317 /nfs/dbraw/zinc/81/53/17/402815317.db2.gz QUPZZQKSDXSOIF-IAGOWNOFSA-N 1 0 324.513 2.234 10 0 DEAERO C[C@H](CNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000184067270 402815806 /nfs/dbraw/zinc/81/58/06/402815806.db2.gz BEGKYCHOYGBQAV-BBWFWOEESA-N 1 0 323.525 2.449 10 0 DEAERO C[C@H](O)C1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000195004345 402826252 /nfs/dbraw/zinc/82/62/52/402826252.db2.gz LGQRUSPIGGJUEU-NSHDSACASA-N 1 0 306.431 2.193 10 0 DEAERO COc1ccc(/C=C/C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1O ZINC000184317341 402834808 /nfs/dbraw/zinc/83/48/08/402834808.db2.gz DHWXVHFZAZBWLN-XBXARRHUSA-N 1 0 316.401 2.111 10 0 DEAERO C[C@H](CNC(=O)N[C@H]1COc2ccccc21)C[NH+]1CCCC1 ZINC000195196480 402835740 /nfs/dbraw/zinc/83/57/40/402835740.db2.gz HXPLWYPGQIWCKS-HIFRSBDPSA-N 1 0 303.406 2.151 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000175854554 402838570 /nfs/dbraw/zinc/83/85/70/402838570.db2.gz USDSSAYLDZFMSO-HNNXBMFYSA-N 1 0 317.813 2.234 10 0 DEAERO CCc1cc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)oc1CC ZINC000184398121 402840968 /nfs/dbraw/zinc/84/09/68/402840968.db2.gz JHTIPTLVTRRYQB-CQSZACIVSA-N 1 0 321.465 2.160 10 0 DEAERO C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)[C@@H]1c1cccc(F)c1 ZINC000175151480 402783211 /nfs/dbraw/zinc/78/32/11/402783211.db2.gz DHGTYBNQRFFEEW-GUYCJALGSA-N 1 0 306.381 2.067 10 0 DEAERO CNC(=O)[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)C(C)C ZINC000183672040 402787365 /nfs/dbraw/zinc/78/73/65/402787365.db2.gz FSJMBCIFUKWIGO-LBPRGKRZSA-N 1 0 317.202 2.448 10 0 DEAERO CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175205905 402788110 /nfs/dbraw/zinc/78/81/10/402788110.db2.gz JREROTMUKGNMJC-WBVHZDCISA-N 1 0 317.433 2.192 10 0 DEAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502636 402847557 /nfs/dbraw/zinc/84/75/57/402847557.db2.gz MWSICOWLCWLVER-GASCZTMLSA-N 1 0 318.465 2.389 10 0 DEAERO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505579 402848040 /nfs/dbraw/zinc/84/80/40/402848040.db2.gz GITRFGUMUCFKLF-CQSZACIVSA-N 1 0 304.438 2.380 10 0 DEAERO CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504855 402848056 /nfs/dbraw/zinc/84/80/56/402848056.db2.gz YTYCLCBMQFPUHZ-AWEZNQCLSA-N 1 0 306.454 2.150 10 0 DEAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504867 402848288 /nfs/dbraw/zinc/84/82/88/402848288.db2.gz ZEFGIRQDNGJZHV-KGLIPLIRSA-N 1 0 306.454 2.293 10 0 DEAERO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515798 402848809 /nfs/dbraw/zinc/84/88/09/402848809.db2.gz RODDCXKEUCIWGN-AWEZNQCLSA-N 1 0 304.438 2.120 10 0 DEAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515908 402848902 /nfs/dbraw/zinc/84/89/02/402848902.db2.gz SIVTTZCUNSJKGQ-LSDHHAIUSA-N 1 0 304.438 2.072 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000176047600 402850094 /nfs/dbraw/zinc/85/00/94/402850094.db2.gz HUIUCNKNTZUNRI-UKRRQHHQSA-N 1 0 303.406 2.246 10 0 DEAERO c1cc(C[NH2+]CCCO[C@@H]2CCOC2)n(-c2ccccc2)n1 ZINC000279133309 402907639 /nfs/dbraw/zinc/90/76/39/402907639.db2.gz MYKLHUQMORQUNM-QGZVFWFLSA-N 1 0 301.390 2.158 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]Cc2cc(OC)cc(C)n2)C12CCOCC2 ZINC000274400823 403051872 /nfs/dbraw/zinc/05/18/72/403051872.db2.gz FPSDKJARBAGNJF-IRXDYDNUSA-N 1 0 320.433 2.462 10 0 DEAERO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000566632043 292257683 /nfs/dbraw/zinc/25/76/83/292257683.db2.gz FKNZIPZIGMEKFX-JKSUJKDBSA-N 1 0 308.447 2.045 10 0 DEAERO Cn1cncc1[C@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)CCO1 ZINC000275715353 403117899 /nfs/dbraw/zinc/11/78/99/403117899.db2.gz YQLBOJRWIOCOCZ-RHSMWYFYSA-N 1 0 311.389 2.078 10 0 DEAERO Cc1nc(C)c(C[NH2+][C@H]2CCCC[C@H]2n2cc(CO)nn2)s1 ZINC000276316869 403163580 /nfs/dbraw/zinc/16/35/80/403163580.db2.gz NRQOVIIXFROEKV-UONOGXRCSA-N 1 0 321.450 2.117 10 0 DEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000282276356 403138767 /nfs/dbraw/zinc/13/87/67/403138767.db2.gz HXHRCPURYSTKDR-PRHODGIISA-N 1 0 315.186 2.345 10 0 DEAERO O=C1CN(Cc2cccc3c2OCCCO3)[C@@H]2CCCC[C@@H]2N1 ZINC000271191810 403276326 /nfs/dbraw/zinc/27/63/26/403276326.db2.gz MNXIIXXUWBQJNK-LSDHHAIUSA-N 1 0 316.401 2.091 10 0 DEAERO C[C@@H]1C[C@@H](N(C)c2ncnc3c2ncn3C2CC2)CC[N@@H+]1C ZINC000292665071 403374355 /nfs/dbraw/zinc/37/43/55/403374355.db2.gz HKPMGIKHCCZAAZ-YPMHNXCESA-N 1 0 300.410 2.080 10 0 DEAERO C[C@H](CNC(=O)c1ccc2c(c1)NC(=O)C2(C)C)[N@H+](C)C1CC1 ZINC000293077860 403388513 /nfs/dbraw/zinc/38/85/13/403388513.db2.gz QCIYYXSXINNRHD-LLVKDONJSA-N 1 0 315.417 2.129 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000566864692 292273490 /nfs/dbraw/zinc/27/34/90/292273490.db2.gz LFIHSYJMZCPVLC-AWEZNQCLSA-N 1 0 300.468 2.113 10 0 DEAERO CCn1ccnc1[C@@H]([NH2+]CC1CCOCC1)C1CCOCC1 ZINC000343404327 403573850 /nfs/dbraw/zinc/57/38/50/403573850.db2.gz RGTBTUZRIZRYFM-INIZCTEOSA-N 1 0 307.438 2.387 10 0 DEAERO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000333065856 403658302 /nfs/dbraw/zinc/65/83/02/403658302.db2.gz JCIWRDIOKJJSNQ-TWMKSMIVSA-N 1 0 324.465 2.094 10 0 DEAERO Cc1ccnc(-c2cccc(NC(=O)N3CC[NH2+]C[C@@H]3C)c2)n1 ZINC000333115977 403668853 /nfs/dbraw/zinc/66/88/53/403668853.db2.gz HIBMWWSISOIDRJ-ZDUSSCGKSA-N 1 0 311.389 2.278 10 0 DEAERO C[C@@H]1C[NH2+]CCN1C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000333265008 403711178 /nfs/dbraw/zinc/71/11/78/403711178.db2.gz FJNLRBXVIDLILP-GFCCVEGCSA-N 1 0 305.426 2.293 10 0 DEAERO COc1cnc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000333244157 403705197 /nfs/dbraw/zinc/70/51/97/403705197.db2.gz BLKYCFQURVJBOU-UHFFFAOYSA-N 1 0 310.423 2.149 10 0 DEAERO CC[C@H]1CN(c2ncnc3c(F)cccc32)CC[N@@H+]1CCOC ZINC000302660894 403712936 /nfs/dbraw/zinc/71/29/36/403712936.db2.gz IHFJUFHIGZICFJ-ZDUSSCGKSA-N 1 0 318.396 2.316 10 0 DEAERO CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCc3nnnn3CC2)s1 ZINC000333324344 403724737 /nfs/dbraw/zinc/72/47/37/403724737.db2.gz AAOUAAQHJCFQGH-KOLCDFICSA-N 1 0 306.439 2.056 10 0 DEAERO Cc1nc(C)c(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)s1 ZINC000333388920 403740424 /nfs/dbraw/zinc/74/04/24/403740424.db2.gz OMVCQMODHWYGLJ-UHFFFAOYSA-N 1 0 308.451 2.045 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC=C(c2ccncc2)C1 ZINC000333727107 403834698 /nfs/dbraw/zinc/83/46/98/403834698.db2.gz VNCWPGZGELKGTH-MRXNPFEDSA-N 1 0 300.406 2.022 10 0 DEAERO C[C@H]1CCCC[C@H]1OCCNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333911831 403899221 /nfs/dbraw/zinc/89/92/21/403899221.db2.gz FFUXQPJQSVTIQK-JKSUJKDBSA-N 1 0 323.481 2.367 10 0 DEAERO c1nc(-c2ccncc2)sc1C[NH2+]CCN1CCSCC1 ZINC000347832728 403899625 /nfs/dbraw/zinc/89/96/25/403899625.db2.gz OVBUASJWBWQOSL-UHFFFAOYSA-N 1 0 320.487 2.344 10 0 DEAERO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333798563 403863934 /nfs/dbraw/zinc/86/39/34/403863934.db2.gz HJOVMONUHMCCHK-UONOGXRCSA-N 1 0 305.426 2.015 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000341365330 403932919 /nfs/dbraw/zinc/93/29/19/403932919.db2.gz JACQCIWOQWIFEW-XMTFNYHQSA-N 1 0 308.466 2.430 10 0 DEAERO Brc1cncnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000362202117 403935430 /nfs/dbraw/zinc/93/54/30/403935430.db2.gz RDBHJAZLCUWFPO-NSHDSACASA-N 1 0 311.227 2.304 10 0 DEAERO c1cc(C[NH+]2CCCCC2)ccc1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000411693821 403941360 /nfs/dbraw/zinc/94/13/60/403941360.db2.gz MOQFLPCJMVKTDH-KDURUIRLSA-N 1 0 316.445 2.272 10 0 DEAERO C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000305795573 403945029 /nfs/dbraw/zinc/94/50/29/403945029.db2.gz AENJHKTWQHZGBM-DIECFANBSA-N 1 0 323.481 2.242 10 0 DEAERO CC(C)(C)OCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000308511236 403957073 /nfs/dbraw/zinc/95/70/73/403957073.db2.gz GXXGUWJXTBWPKB-CYBMUJFWSA-N 1 0 301.814 2.484 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)C2CCC2)C1 ZINC000316287352 404024532 /nfs/dbraw/zinc/02/45/32/404024532.db2.gz HXDMHFAQHIKGOF-DZGCQCFKSA-N 1 0 312.454 2.384 10 0 DEAERO CC1(C)COC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000313154369 403976481 /nfs/dbraw/zinc/97/64/81/403976481.db2.gz WTYPGCFKLHMSPK-ZWKOTPCHSA-N 1 0 318.461 2.292 10 0 DEAERO C[C@H]1[C@H](O)CCCN1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000296102321 404095024 /nfs/dbraw/zinc/09/50/24/404095024.db2.gz HXINWIWAXKEROH-TVQRCGJNSA-N 1 0 300.761 2.263 10 0 DEAERO COCCC1(C)CN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000358526209 292299501 /nfs/dbraw/zinc/29/95/01/292299501.db2.gz BDPVRWOJRJJOTP-HUUCEWRRSA-N 1 0 311.470 2.175 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)Cc1c(C)noc1C ZINC000365478471 286420904 /nfs/dbraw/zinc/42/09/04/286420904.db2.gz ALSSACOHXHZFIB-HNNXBMFYSA-N 1 0 315.373 2.279 10 0 DEAERO CN(Cc1csnn1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328637248 404118629 /nfs/dbraw/zinc/11/86/29/404118629.db2.gz ONCISPYARONPQA-ZFWWWQNUSA-N 1 0 303.435 2.058 10 0 DEAERO O[C@@H]1[C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CCC12CCOCC2 ZINC000328749511 404144028 /nfs/dbraw/zinc/14/40/28/404144028.db2.gz MIHAUMJRTXXYDP-NQNKBUKLSA-N 1 0 321.461 2.101 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)CC2 ZINC000369638033 404175499 /nfs/dbraw/zinc/17/54/99/404175499.db2.gz KTHPMEFNJWTZNK-CHWSQXEVSA-N 1 0 318.465 2.237 10 0 DEAERO O[C@H](COc1ccccc1F)C[N@@H+]1CCCC12CCOCC2 ZINC000369773035 404224348 /nfs/dbraw/zinc/22/43/48/404224348.db2.gz OOWWGCMBTRNSCM-AWEZNQCLSA-N 1 0 309.381 2.210 10 0 DEAERO C[C@H](NC(=O)C1CCCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000337949336 404328556 /nfs/dbraw/zinc/32/85/56/404328556.db2.gz IHIRISOZKKPQCS-OFQRWUPVSA-N 1 0 323.481 2.013 10 0 DEAERO COc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000364077046 404310546 /nfs/dbraw/zinc/31/05/46/404310546.db2.gz NPIGPFBFMMDGNP-KGLIPLIRSA-N 1 0 318.417 2.369 10 0 DEAERO Cc1cnc(C)c(N2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000364102695 404320821 /nfs/dbraw/zinc/32/08/21/404320821.db2.gz PADXYXWRMCDJKR-UHFFFAOYSA-N 1 0 304.438 2.032 10 0 DEAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)nn1 ZINC000329545249 404371720 /nfs/dbraw/zinc/37/17/20/404371720.db2.gz ZHAUQEALZOAGBA-DTZQCDIJSA-N 1 0 322.453 2.169 10 0 DEAERO Cc1cccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)n1 ZINC000329564588 404377751 /nfs/dbraw/zinc/37/77/51/404377751.db2.gz HAHCRVXFXDCPRK-CJNGLKHVSA-N 1 0 300.362 2.366 10 0 DEAERO CCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000364674793 404495503 /nfs/dbraw/zinc/49/55/03/404495503.db2.gz KLMURJKKZIBOES-CVEARBPZSA-N 1 0 308.447 2.075 10 0 DEAERO C[C@@H]1CCC[C@@](CNC(=O)N2CCOCC[C@H]2C)([NH+](C)C)C1 ZINC000371425701 404461132 /nfs/dbraw/zinc/46/11/32/404461132.db2.gz UPZLSZQEVNHBIR-BFYDXBDKSA-N 1 0 311.470 2.317 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C(C)C)[C@H]2CCOC2)c1 ZINC000291953152 404597745 /nfs/dbraw/zinc/59/77/45/404597745.db2.gz UQDHVGGJMKPNKV-DLBZAZTESA-N 1 0 321.417 2.128 10 0 DEAERO Cc1nc([C@H](C)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)no1 ZINC000330251722 404601708 /nfs/dbraw/zinc/60/17/08/404601708.db2.gz NRIGRMXAVJHSJA-IHRRRGAJSA-N 1 0 322.453 2.260 10 0 DEAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCS(=O)(=O)N(C)C ZINC000353095000 404741839 /nfs/dbraw/zinc/74/18/39/404741839.db2.gz OULBEBBOVBKARI-BENRWUELSA-N 1 0 316.854 2.224 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](CO)c1ccccc1 ZINC000360802161 404838941 /nfs/dbraw/zinc/83/89/41/404838941.db2.gz RRERKDIZDPSEQW-DOTOQJQBSA-N 1 0 321.465 2.182 10 0 DEAERO COc1ccccc1N1CCC[C@H]([NH2+]CC2=CCCOC2)C1=O ZINC000378188780 404887813 /nfs/dbraw/zinc/88/78/13/404887813.db2.gz FMSVKCMVCQKMDA-HNNXBMFYSA-N 1 0 316.401 2.127 10 0 DEAERO C[C@@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@@H]1[NH3+] ZINC000423952638 404944411 /nfs/dbraw/zinc/94/44/11/404944411.db2.gz MUOMCRRMHHRPNN-KCJUWKMLSA-N 1 0 303.189 2.178 10 0 DEAERO CCO[C@@H]1C[C@@](NC[C@@H](O)CCC(C)C)(C(=O)OC)C1(C)C ZINC000361319921 405021972 /nfs/dbraw/zinc/02/19/72/405021972.db2.gz FNPIOCKOJCYXII-JJRVBVJISA-N 1 0 315.454 2.120 10 0 DEAERO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cncc(C(F)(F)F)c2)C1 ZINC000361322868 405023121 /nfs/dbraw/zinc/02/31/21/405023121.db2.gz ASETUMVGLOVMFB-GFCCVEGCSA-N 1 0 315.339 2.401 10 0 DEAERO CC1CCC(O)(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000408040854 405097185 /nfs/dbraw/zinc/09/71/85/405097185.db2.gz AFTIDHSPQYCUNW-XTJLLSPMSA-N 1 0 311.466 2.180 10 0 DEAERO C[C@H]1C[NH2+]CCN1C(=O)NCCOc1cccc2ccccc21 ZINC000417158235 405050000 /nfs/dbraw/zinc/05/00/00/405050000.db2.gz DYOYJOQZZGSDGQ-AWEZNQCLSA-N 1 0 313.401 2.222 10 0 DEAERO CC[C@@H]1CCCC[C@H]1C[NH2+]CCCN(CC)S(C)(=O)=O ZINC000401282383 405063125 /nfs/dbraw/zinc/06/31/25/405063125.db2.gz DRHQJWPGIKWENL-CABCVRRESA-N 1 0 304.500 2.464 10 0 DEAERO O[C@@H]1CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccn(C2CCCC2)n1 ZINC000407961401 405076658 /nfs/dbraw/zinc/07/66/58/405076658.db2.gz 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405239857 /nfs/dbraw/zinc/23/98/57/405239857.db2.gz CNILSLLBQUXXKM-UHFFFAOYSA-N 1 0 305.378 2.206 10 0 DEAERO COc1cccc(CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)n1 ZINC000440624435 405319787 /nfs/dbraw/zinc/31/97/87/405319787.db2.gz ATVQJPWZACDYBF-UHFFFAOYSA-N 1 0 300.284 2.164 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@@H](C)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000420351417 405329437 /nfs/dbraw/zinc/32/94/37/405329437.db2.gz WZZGKXSNDLLWNZ-JLZZUVOBSA-N 1 0 315.417 2.043 10 0 DEAERO O=S1(=O)CCCN1CC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000440920747 405330955 /nfs/dbraw/zinc/33/09/55/405330955.db2.gz UTEDFEVEKFDNNM-UHFFFAOYSA-N 1 0 322.474 2.471 10 0 DEAERO C[N@H+](CCCO)CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000440963013 405332432 /nfs/dbraw/zinc/33/24/32/405332432.db2.gz LKRWDEMZDQEDOE-GOSISDBHSA-N 1 0 304.434 2.348 10 0 DEAERO c1cc(N2CCC[C@]3(CC[NH2+]C3)C2)nc(N2CCCCC2)n1 ZINC000420251130 405301071 /nfs/dbraw/zinc/30/10/71/405301071.db2.gz KYNYYIBAZALIBL-QGZVFWFLSA-N 1 0 301.438 2.047 10 0 DEAERO C[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329007434 299784786 /nfs/dbraw/zinc/78/47/86/299784786.db2.gz YHZRNGOPURNXKP-SZOQZIPDSA-N 1 0 304.438 2.108 10 0 DEAERO CCc1noc(C)c1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000454626768 405374996 /nfs/dbraw/zinc/37/49/96/405374996.db2.gz TWNOADYASOLCOE-ZDUSSCGKSA-N 1 0 322.453 2.467 10 0 DEAERO CS(=O)(=O)c1cccc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000449019466 405502056 /nfs/dbraw/zinc/50/20/56/405502056.db2.gz WQGZQNWSJGXFOK-INIZCTEOSA-N 1 0 322.474 2.150 10 0 DEAERO CN(C)c1ncc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)s1 ZINC000556699337 405507586 /nfs/dbraw/zinc/50/75/86/405507586.db2.gz BRLPOEPDAFSHON-LLVKDONJSA-N 1 0 319.434 2.459 10 0 DEAERO COc1nsc(C[NH2+][C@@H]2CCCOC2)c1Br ZINC000638523286 405524769 /nfs/dbraw/zinc/52/47/69/405524769.db2.gz FPKOLMJKSOFRTO-SSDOTTSWSA-N 1 0 307.213 2.183 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2C)CC12COC2 ZINC000449367541 405529497 /nfs/dbraw/zinc/52/94/97/405529497.db2.gz 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DPKPKQXGYQUUAJ-KRWDZBQOSA-N 1 0 317.481 2.353 10 0 DEAERO c1cnc(N[C@@H]2CC[N@@H+](Cc3ccc(N4CCCC4)nc3)C2)nc1 ZINC000567614546 406104642 /nfs/dbraw/zinc/10/46/42/406104642.db2.gz YCPBEZBZVAYXFU-MRXNPFEDSA-N 1 0 324.432 2.158 10 0 DEAERO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532124856 406047868 /nfs/dbraw/zinc/04/78/68/406047868.db2.gz JERDMMJYYAVQTB-CABCVRRESA-N 1 0 315.454 2.216 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc(C2CCOCC2)no1 ZINC000634554336 406168760 /nfs/dbraw/zinc/16/87/60/406168760.db2.gz WTSMSFKGVOJREB-OAHLLOKOSA-N 1 0 316.405 2.095 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000487280110 406221185 /nfs/dbraw/zinc/22/11/85/406221185.db2.gz QULSNFIDJDJTOK-GGZOMVNGSA-N 1 0 314.227 2.086 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634757952 406269541 /nfs/dbraw/zinc/26/95/41/406269541.db2.gz DYQISFFUZGSJNZ-HFTRVMKXSA-N 1 0 302.418 2.098 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000545858608 406329102 /nfs/dbraw/zinc/32/91/02/406329102.db2.gz HBFKWUZFMRCJLC-JKSUJKDBSA-N 1 0 309.454 2.141 10 0 DEAERO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488800135 406350044 /nfs/dbraw/zinc/35/00/44/406350044.db2.gz DVRFNOWQBCUPFR-AEFFLSMTSA-N 1 0 318.461 2.436 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)c2cc(-c3cccnc3)on2)CC1 ZINC000547283404 406394594 /nfs/dbraw/zinc/39/45/94/406394594.db2.gz BRCQXRGHGMHBCB-UHFFFAOYSA-N 1 0 312.373 2.118 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCc3ccccc3CC2)CC1 ZINC000547296203 406395945 /nfs/dbraw/zinc/39/59/45/406395945.db2.gz KVAZCBJZACKSRY-UHFFFAOYSA-N 1 0 313.445 2.449 10 0 DEAERO O=C(NCc1ccc(Cn2ccnc2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000570502119 406402274 /nfs/dbraw/zinc/40/22/74/406402274.db2.gz SZBNTAUCNYMYMQ-SFHVURJKSA-N 1 0 324.428 2.174 10 0 DEAERO Cc1nc2ccccc2n1CCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000547473834 406414265 /nfs/dbraw/zinc/41/42/65/406414265.db2.gz QQLCFZZNUKSZHB-HNNXBMFYSA-N 1 0 314.433 2.193 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@H](C)Cc2ccncc2)CC1 ZINC000489619305 406421848 /nfs/dbraw/zinc/42/18/48/406421848.db2.gz APFDKJWXTGCTEN-OAHLLOKOSA-N 1 0 318.465 2.434 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)Cc2ccncc2)CC1 ZINC000489619301 406421974 /nfs/dbraw/zinc/42/19/74/406421974.db2.gz APFDKJWXTGCTEN-HNNXBMFYSA-N 1 0 318.465 2.434 10 0 DEAERO c1c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)nnn1C[C@H]1CCOC1 ZINC000637914289 406474374 /nfs/dbraw/zinc/47/43/74/406474374.db2.gz XXSFTOUULDIAPR-NVXWUHKLSA-N 1 0 312.417 2.304 10 0 DEAERO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccnc2ccncc21 ZINC000548075740 406477568 /nfs/dbraw/zinc/47/75/68/406477568.db2.gz RINBTISWBFWEEZ-MRXNPFEDSA-N 1 0 312.417 2.480 10 0 DEAERO c1ccc(N2CCO[C@@H](C[N@@H+]3CCOCC4(CC4)C3)C2)cc1 ZINC000571176401 406487943 /nfs/dbraw/zinc/48/79/43/406487943.db2.gz VWENHMPFFRJBLN-KRWDZBQOSA-N 1 0 302.418 2.004 10 0 DEAERO C[C@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1ccc(Cl)cc1Cl ZINC000637885269 406462674 /nfs/dbraw/zinc/46/26/74/406462674.db2.gz UAWVWMWOOGFEAF-CQFDHEJISA-N 1 0 303.189 2.287 10 0 DEAERO [NH3+][C@H]1CC=C(C(=O)N2CC[C@H](COCc3ccccc3)C2)C1 ZINC000638023007 406528050 /nfs/dbraw/zinc/52/80/50/406528050.db2.gz KQTMCSHYNDEVEL-RDJZCZTQSA-N 1 0 300.402 2.099 10 0 DEAERO CC(C)C1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638023552 406528185 /nfs/dbraw/zinc/52/81/85/406528185.db2.gz OJEDRUGXQILOAZ-SFHVURJKSA-N 1 0 317.477 2.340 10 0 DEAERO Cc1ccc2[nH]c(C[NH2+][C@H](C)C3CCS(=O)(=O)CC3)nc2c1 ZINC000526988912 406565568 /nfs/dbraw/zinc/56/55/68/406565568.db2.gz WIDZOYAFRXHADV-GFCCVEGCSA-N 1 0 321.446 2.174 10 0 DEAERO CC(=O)N(C)C1CC[NH+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000637977278 406505351 /nfs/dbraw/zinc/50/53/51/406505351.db2.gz NLEQZOHCGXUXPV-QGZVFWFLSA-N 1 0 315.461 2.456 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCCC(C)(C)C ZINC000638014502 406523612 /nfs/dbraw/zinc/52/36/12/406523612.db2.gz FIFKNRWVRFXAAT-MRXNPFEDSA-N 1 0 305.466 2.388 10 0 DEAERO CO[C@H](C)CN(C(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)C(C)C ZINC000638012719 406523700 /nfs/dbraw/zinc/52/37/00/406523700.db2.gz LAQYKEBCMUCOPS-HLLBOEOZSA-N 1 0 322.449 2.191 10 0 DEAERO [NH3+]CC[C@H](NC(=O)c1csc(C(F)(F)F)c1)C(F)F ZINC000638256012 406652807 /nfs/dbraw/zinc/65/28/07/406652807.db2.gz OJFFZHCALRQOHX-LURJTMIESA-N 1 0 302.268 2.479 10 0 DEAERO CC1(C)CCC[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000572424250 406666362 /nfs/dbraw/zinc/66/63/62/406666362.db2.gz BBMMVVPEJBGPRE-KGLIPLIRSA-N 1 0 302.484 2.216 10 0 DEAERO COc1nsc(CNC2CC[NH+](C)CC2)c1Br ZINC000638303366 406684396 /nfs/dbraw/zinc/68/43/96/406684396.db2.gz DIEXHWBCIURRMX-UHFFFAOYSA-N 1 0 320.256 2.098 10 0 DEAERO c1ccc([C@H](CN2CCOCC2)[NH2+]CCC[C@H]2CCO2)cc1 ZINC000638312474 406691115 /nfs/dbraw/zinc/69/11/15/406691115.db2.gz GQBOTUGWIPUTPP-ROUUACIJSA-N 1 0 304.434 2.219 10 0 DEAERO c1ccc(CN2CCO[C@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000638317229 406695766 /nfs/dbraw/zinc/69/57/66/406695766.db2.gz PVUAEDNVIJWCSD-ZWKOTPCHSA-N 1 0 304.434 2.046 10 0 DEAERO Cc1cc(CCNC(=O)NCC2([NH+](C)C)CCCCCC2)on1 ZINC000553342736 406752726 /nfs/dbraw/zinc/75/27/26/406752726.db2.gz SWFQBGYXBGDEGH-UHFFFAOYSA-N 1 0 322.453 2.479 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527662967 406709533 /nfs/dbraw/zinc/70/95/33/406709533.db2.gz WTXOAATVBDQRMA-SECBINFHSA-N 1 0 313.366 2.434 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@H](C)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000638363798 406726080 /nfs/dbraw/zinc/72/60/80/406726080.db2.gz YPNOXAUSLKYZEI-AEFFLSMTSA-N 1 0 307.482 2.265 10 0 DEAERO C[NH+]1CCC2(CCCN2C(=O)NCCOCC2CCC2)CC1 ZINC000577553879 406842434 /nfs/dbraw/zinc/84/24/34/406842434.db2.gz OAZCETRBGCDZLS-UHFFFAOYSA-N 1 0 309.454 2.073 10 0 DEAERO COC[C@@]1(C(=O)N(C)Cc2ccc(Cl)s2)CCC[NH2+]1 ZINC000643620867 407018347 /nfs/dbraw/zinc/01/83/47/407018347.db2.gz QLBRXSQYNLIBFX-CYBMUJFWSA-N 1 0 302.827 2.129 10 0 DEAERO CC(C)C[NH2+]C[C@@H](C)[C@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000128964101 196008405 /nfs/dbraw/zinc/00/84/05/196008405.db2.gz GQYWKYCLNSKRPS-KGLIPLIRSA-N 1 0 309.420 2.437 10 0 DEAERO C[C@H]([NH3+])Cc1cnc(Sc2ccc3c(c2)OCCO3)nc1 ZINC000129051363 196014610 /nfs/dbraw/zinc/01/46/10/196014610.db2.gz IBFLWKUIGMIZSS-JTQLQIEISA-N 1 0 303.387 2.289 10 0 DEAERO CC(C)[NH2+]C[C@@H](C)[C@@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129101279 196019568 /nfs/dbraw/zinc/01/95/68/196019568.db2.gz DCDVABHPOVWVFI-ZNMIVQPWSA-N 1 0 304.500 2.318 10 0 DEAERO C[NH2+][C@H](C)c1ccc(Br)cc1-n1cc(C(N)=O)cn1 ZINC000129233545 196030913 /nfs/dbraw/zinc/03/09/13/196030913.db2.gz MTVHFCCFZPOGEM-MRVPVSSYSA-N 1 0 323.194 2.014 10 0 DEAERO CC(C)[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@H](O)CO ZINC000130441958 196084333 /nfs/dbraw/zinc/08/43/33/196084333.db2.gz IYOMCBWTEFCMOA-LLVKDONJSA-N 1 0 308.205 2.223 10 0 DEAERO CC(C)C[NH2+]CCn1nnnc1SCCCC(F)(F)F ZINC000130604114 196094745 /nfs/dbraw/zinc/09/47/45/196094745.db2.gz NFANMZBGRUYYSZ-UHFFFAOYSA-N 1 0 311.377 2.353 10 0 DEAERO O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000130615941 196096027 /nfs/dbraw/zinc/09/60/27/196096027.db2.gz UTPLWYHAPIQXHJ-IKGGRYGDSA-N 1 0 302.418 2.071 10 0 DEAERO O=C(NCCCCC(F)(F)F)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000130776776 196109703 /nfs/dbraw/zinc/10/97/03/196109703.db2.gz DCMXXVANZPUHTG-VIFPVBQESA-N 1 0 306.250 2.377 10 0 DEAERO C[C@H](CN1C(=O)C2(CC2)N[C@H]1c1cccs1)[NH+]1CCCC1 ZINC000130797275 196110633 /nfs/dbraw/zinc/11/06/33/196110633.db2.gz NLPYNHQJTCLXPL-TZMCWYRMSA-N 1 0 305.447 2.195 10 0 DEAERO COCCCS(=O)(=O)Cc1ccc(C[NH2+]C(C)(C)C)o1 ZINC000130926174 196123269 /nfs/dbraw/zinc/12/32/69/196123269.db2.gz OUESFUMOYPTRTM-UHFFFAOYSA-N 1 0 303.424 2.119 10 0 DEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCC[C@H](C)SC)c1 ZINC000130940706 196124964 /nfs/dbraw/zinc/12/49/64/196124964.db2.gz YOIZZYMGZMGCDB-RYUDHWBXSA-N 1 0 316.492 2.387 10 0 DEAERO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(Br)c(C)n1 ZINC000131269975 196156786 /nfs/dbraw/zinc/15/67/86/196156786.db2.gz IIVITHIFFLRJHK-SECBINFHSA-N 1 0 318.240 2.171 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)[C@@H](C)S(C)(=O)=O ZINC000131473884 196172306 /nfs/dbraw/zinc/17/23/06/196172306.db2.gz GPTJHHKAOWSSEM-SKDRFNHKSA-N 1 0 309.353 2.269 10 0 DEAERO CC[S@@](=O)CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000131649892 196188104 /nfs/dbraw/zinc/18/81/04/196188104.db2.gz JDXOQTWJSNDMCU-INIZCTEOSA-N 1 0 308.216 2.446 10 0 DEAERO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCSC1 ZINC000131688850 196190769 /nfs/dbraw/zinc/19/07/69/196190769.db2.gz ZHTGZWDSMZKKNK-OCCSQVGLSA-N 1 0 303.431 2.050 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccco2)C1 ZINC000131732624 196194308 /nfs/dbraw/zinc/19/43/08/196194308.db2.gz ZGECPXWPRQDHTE-UONOGXRCSA-N 1 0 312.435 2.088 10 0 DEAERO CC(C)C[C@@](C)(O)C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000131783066 196198621 /nfs/dbraw/zinc/19/86/21/196198621.db2.gz VOGAIZLHKJKHMS-SEEARECTSA-N 1 0 300.443 2.429 10 0 DEAERO CC(C)C[C@](C)(O)C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000131782833 196198831 /nfs/dbraw/zinc/19/88/31/196198831.db2.gz VOGAIZLHKJKHMS-ZUEPYMLJSA-N 1 0 300.443 2.429 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1C)[C@H](C)S(C)(=O)=O ZINC000131922056 196210783 /nfs/dbraw/zinc/21/07/83/196210783.db2.gz PCJHAVGKZLZCSE-WFASDCNBSA-N 1 0 301.427 2.478 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@H](c3ccco3)C2)C1 ZINC000132339909 196246886 /nfs/dbraw/zinc/24/68/86/196246886.db2.gz WORZEVZXSQIWKZ-YCPHGPKFSA-N 1 0 321.421 2.091 10 0 DEAERO CC(C)([C@H]([NH3+])c1cscc1Br)S(C)(=O)=O ZINC000132254446 196239230 /nfs/dbraw/zinc/23/92/30/196239230.db2.gz ZNLNORONPJGCEA-MRVPVSSYSA-N 1 0 312.254 2.334 10 0 DEAERO COC[C@H](C)[C@H]1C[NH+]=C(N)N1c1ccc(Br)cc1 ZINC000132496623 196260215 /nfs/dbraw/zinc/26/02/15/196260215.db2.gz RUOHOYZPHLSHSF-JOYOIKCWSA-N 1 0 312.211 2.235 10 0 DEAERO CCn1nc(C)c(Br)c1C[NH2+][C@H]1C[C@H]2CC[C@@H]1O2 ZINC000132724971 196278158 /nfs/dbraw/zinc/27/81/58/196278158.db2.gz BYSOXCGOUPBHEI-SCVCMEIPSA-N 1 0 314.227 2.383 10 0 DEAERO CCOc1cncc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000132821444 196287007 /nfs/dbraw/zinc/28/70/07/196287007.db2.gz CKWTYUTVOYDIKU-GJZGRUSLSA-N 1 0 320.437 2.055 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1[C@](C)(O)C1(C)CC1 ZINC000132838663 196288958 /nfs/dbraw/zinc/28/89/58/196288958.db2.gz DZHWMKZWLNRTEP-ZDUSSCGKSA-N 1 0 316.243 2.215 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc2c(c1)OCCCO2 ZINC000132990098 196302683 /nfs/dbraw/zinc/30/26/83/196302683.db2.gz YRKZEUYXURBFRN-TZMCWYRMSA-N 1 0 304.390 2.119 10 0 DEAERO O[C@@H](Cc1ccc(Br)cc1F)C1CC[NH2+]CC1 ZINC000133025457 196306357 /nfs/dbraw/zinc/30/63/57/196306357.db2.gz HIJRTHLKAGRWTG-ZDUSSCGKSA-N 1 0 302.187 2.491 10 0 DEAERO COCc1nc(Nc2ccc(Br)cc2)cc(NN)[nH+]1 ZINC000133082329 196309963 /nfs/dbraw/zinc/30/99/63/196309963.db2.gz JDTOFGAYLIDDCQ-UHFFFAOYSA-N 1 0 324.182 2.415 10 0 DEAERO COC(=O)C[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1cccs1 ZINC000133171508 196318407 /nfs/dbraw/zinc/31/84/07/196318407.db2.gz USKMLPUUZOAYNO-ABAIWWIYSA-N 1 0 310.419 2.001 10 0 DEAERO CCC[NH2+][C@@H](c1ccc(COC)o1)C(C)(C)S(C)(=O)=O ZINC000133234483 196323417 /nfs/dbraw/zinc/32/34/17/196323417.db2.gz WEPZMPRYJPAYHR-ZDUSSCGKSA-N 1 0 303.424 2.290 10 0 DEAERO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCCSC)cc1 ZINC000133727611 196332345 /nfs/dbraw/zinc/33/23/45/196332345.db2.gz DSRDPXWJWIDHOI-GFCCVEGCSA-N 1 0 316.492 2.389 10 0 DEAERO CC(C)[NH2+]CCC(=O)Nc1cccc(Br)c1O ZINC000133798415 196336797 /nfs/dbraw/zinc/33/67/97/196336797.db2.gz RPRYFECVZXBONX-UHFFFAOYSA-N 1 0 301.184 2.481 10 0 DEAERO CC1(C(=O)Nc2cccc(Br)c2O)CC[NH2+]CC1 ZINC000133812643 196338609 /nfs/dbraw/zinc/33/86/09/196338609.db2.gz RHKHWROQQWNGQN-UHFFFAOYSA-N 1 0 313.195 2.483 10 0 DEAERO C[NH2+][C@H](CC[C@@H]1CCCO1)c1c(Cl)cnn1CCOC ZINC000133969937 196350183 /nfs/dbraw/zinc/35/01/83/196350183.db2.gz LVLFZXUYFUDPPY-WCQYABFASA-N 1 0 301.818 2.403 10 0 DEAERO C[NH2+][C@H](CC[C@H]1CCCO1)c1c(Cl)cnn1CCOC ZINC000133970339 196350376 /nfs/dbraw/zinc/35/03/76/196350376.db2.gz LVLFZXUYFUDPPY-DGCLKSJQSA-N 1 0 301.818 2.403 10 0 DEAERO CC[N@@H+]1CCC[C@@H](Nc2c(Cl)cnn(CC3CC3)c2=O)C1 ZINC000134132964 196364604 /nfs/dbraw/zinc/36/46/04/196364604.db2.gz NGGLHAQOHUOMJA-GFCCVEGCSA-N 1 0 310.829 2.203 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)cc1F)C(C)(C)S(C)(=O)=O ZINC000134225308 196371611 /nfs/dbraw/zinc/37/16/11/196371611.db2.gz RVANPVGALCMQDG-GFCCVEGCSA-N 1 0 307.818 2.433 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1F)C(C)(C)S(C)(=O)=O ZINC000134225325 196371637 /nfs/dbraw/zinc/37/16/37/196371637.db2.gz RVANPVGALCMQDG-LBPRGKRZSA-N 1 0 307.818 2.433 10 0 DEAERO CCCNc1cc(NCC[S@](=O)CC)nc(SC)[nH+]1 ZINC000134272599 196375808 /nfs/dbraw/zinc/37/58/08/196375808.db2.gz LVPHAOUCRDEFHV-IBGZPJMESA-N 1 0 302.469 2.201 10 0 DEAERO CC[C@H](CCO)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000134399584 196386159 /nfs/dbraw/zinc/38/61/59/196386159.db2.gz DRXNDDNSPJRPKW-LLVKDONJSA-N 1 0 315.211 2.138 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000134518384 196398564 /nfs/dbraw/zinc/39/85/64/196398564.db2.gz FBRWDLWUPVTLRI-LBPRGKRZSA-N 1 0 310.360 2.194 10 0 DEAERO COc1cc(Br)c([C@H](O)[C@H]([NH3+])C(C)C)cc1OC ZINC000134814762 196421080 /nfs/dbraw/zinc/42/10/80/196421080.db2.gz GVOHCQNDEQOEKL-OLZOCXBDSA-N 1 0 318.211 2.483 10 0 DEAERO CCC[NH2+][C@@H]1CSC[C@@H]1c1nc(-c2ncc(C)cn2)no1 ZINC000134847037 196423786 /nfs/dbraw/zinc/42/37/86/196423786.db2.gz ORPROWBXQWUHRM-WDEREUQCSA-N 1 0 305.407 2.034 10 0 DEAERO C[NH2+]C[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CCO1 ZINC000135281409 196460319 /nfs/dbraw/zinc/46/03/19/196460319.db2.gz SABFPOZLJFRGMQ-JTQLQIEISA-N 1 0 303.189 2.054 10 0 DEAERO CCC[C@@H]([NH3+])CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000135848953 196505786 /nfs/dbraw/zinc/50/57/86/196505786.db2.gz NNCJYJMOILZARC-SECBINFHSA-N 1 0 320.361 2.139 10 0 DEAERO CN(C)CC[NH2+]CCOc1ccc(F)c(Br)c1 ZINC000137709900 196579615 /nfs/dbraw/zinc/57/96/15/196579615.db2.gz RJTKYAZSBNIEHY-UHFFFAOYSA-N 1 0 305.191 2.118 10 0 DEAERO COC[C@@H]([NH2+]CCC(=O)Nc1ccccc1)C1CCOCC1 ZINC000188007826 225006568 /nfs/dbraw/zinc/00/65/68/225006568.db2.gz DDLSVGQNYSLOIN-MRXNPFEDSA-N 1 0 306.406 2.046 10 0 DEAERO C[C@@H]1CN(Cc2cnc(-c3cccs3)s2)CCN1CCO ZINC000190247471 225078677 /nfs/dbraw/zinc/07/86/77/225078677.db2.gz GJMVGTSXQYZXQD-GFCCVEGCSA-N 1 0 323.487 2.370 10 0 DEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccccc1OCC1CC1 ZINC000417710380 229075657 /nfs/dbraw/zinc/07/56/57/229075657.db2.gz CDGLQFNURHLIKQ-IUODEOHRSA-N 1 0 303.406 2.107 10 0 DEAERO [NH3+]C[C@@H]1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 ZINC000299739289 229372899 /nfs/dbraw/zinc/37/28/99/229372899.db2.gz MWRNAKBVZCJKEH-LBPRGKRZSA-N 1 0 314.364 2.385 10 0 DEAERO NC(=O)[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@H]1C(F)(F)F ZINC000299742977 229379003 /nfs/dbraw/zinc/37/90/03/229379003.db2.gz LEJOXNRKPWRFLC-GHMZBOCLSA-N 1 0 309.291 2.335 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)[C@H](C[NH3+])C1 ZINC000261636083 287598177 /nfs/dbraw/zinc/59/81/77/287598177.db2.gz HBAXJKCGHYYVAY-KOLCDFICSA-N 1 0 320.817 2.227 10 0 DEAERO c1ccc2nc(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422704073 230171058 /nfs/dbraw/zinc/17/10/58/230171058.db2.gz OMEXSUNKYDCSRY-YTQUADARSA-N 1 0 311.429 2.482 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2c[nH]nc2N)CC1 ZINC000616602302 422516463 /nfs/dbraw/zinc/51/64/63/422516463.db2.gz XDDGAOHCTSPXTQ-GFCCVEGCSA-N 1 0 323.441 2.086 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Br)c[nH]1 ZINC000037505975 424808252 /nfs/dbraw/zinc/80/82/52/424808252.db2.gz ORFOTBSJGLKVQT-NSHDSACASA-N 1 0 316.243 2.483 10 0 DEAERO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1O)COCc1ccccc1Cl ZINC000052014004 424837639 /nfs/dbraw/zinc/83/76/39/424837639.db2.gz JAWZQKSVNSROEN-BMFZPTHFSA-N 1 0 313.825 2.111 10 0 DEAERO CCn1cc(CN2CCC[N@H+](Cc3c(C)noc3C)CC2)cn1 ZINC000105870124 424849339 /nfs/dbraw/zinc/84/93/39/424849339.db2.gz PJIUWWIHVWMXPQ-UHFFFAOYSA-N 1 0 317.437 2.216 10 0 DEAERO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(Cn3cccn3)CC2)C1 ZINC000105886342 424849493 /nfs/dbraw/zinc/84/94/93/424849493.db2.gz GDTMXVMCLJAVLE-IYBDPMFKSA-N 1 0 318.465 2.100 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000106865474 424849985 /nfs/dbraw/zinc/84/99/85/424849985.db2.gz KVUBOHAVADPFCQ-WBVHZDCISA-N 1 0 304.434 2.270 10 0 DEAERO Cc1cccc(CNC(=O)NC2CC[NH+](CC(C)C)CC2)n1 ZINC000193441751 424869168 /nfs/dbraw/zinc/86/91/68/424869168.db2.gz OLBQWYWSJNGUSV-UHFFFAOYSA-N 1 0 304.438 2.310 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)c2ccc(OC(F)(F)F)cc2)C[NH2+]1 ZINC000131153683 424858579 /nfs/dbraw/zinc/85/85/79/424858579.db2.gz XSJXWXLQVTYNIX-KOLCDFICSA-N 1 0 302.296 2.456 10 0 DEAERO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000571620666 424932449 /nfs/dbraw/zinc/93/24/49/424932449.db2.gz VEGYNTZCRIILCZ-STQMWFEESA-N 1 0 320.437 3.063 10 0 DEAERO C[N@@H+]1CCC[C@H](CNc2nccn3cnnc23)[C@H]1c1ccccc1 ZINC000375384966 424892074 /nfs/dbraw/zinc/89/20/74/424892074.db2.gz UHQQNOJPJFOLAJ-HZPDHXFCSA-N 1 0 322.416 2.619 10 0 DEAERO Cn1cncc1[C@H]1[C@H](CNc2ccc(Cl)cn2)CCC[N@@H+]1C ZINC000583618213 424985473 /nfs/dbraw/zinc/98/54/73/424985473.db2.gz PTMARJYASNEOMG-BLLLJJGKSA-N 1 0 319.840 2.964 10 0 DEAERO CN(C)c1nccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000354341512 425062861 /nfs/dbraw/zinc/06/28/61/425062861.db2.gz VXHASVRIEXNYSD-INIZCTEOSA-N 1 0 311.433 2.619 10 0 DEAERO CC(C)(C)OC(=O)NCC[NH+]1CCC(c2ccnc(N)c2)CC1 ZINC000616620341 425098262 /nfs/dbraw/zinc/09/82/62/425098262.db2.gz WLQYFPJABBPWID-UHFFFAOYSA-N 1 0 320.437 2.368 10 0 DEAERO C[C@]1(C2CC2)C[N@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000661165770 425341043 /nfs/dbraw/zinc/34/10/43/425341043.db2.gz BYJLXGNBTJCMDE-ZWKOTPCHSA-N 1 0 305.418 2.065 10 0 DEAERO Cn1cc(Cl)c(C[NH2+]C[C@@H]2CCCO[C@H]2c2nccn2C)n1 ZINC000657481509 425346098 /nfs/dbraw/zinc/34/60/98/425346098.db2.gz RONFQYWXJCXHQG-SMDDNHRTSA-N 1 0 323.828 2.065 10 0 DEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000077369932 267375631 /nfs/dbraw/zinc/37/56/31/267375631.db2.gz BHIOMOIQRYUMEU-BETUJISGSA-N 1 0 308.447 2.132 10 0 DEAERO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000083993134 267381101 /nfs/dbraw/zinc/38/11/01/267381101.db2.gz BIRKKKPMZROBDW-CQSZACIVSA-N 1 0 318.442 2.412 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 ZINC000106397714 267411562 /nfs/dbraw/zinc/41/15/62/267411562.db2.gz ZSFCVKWVNNYVJL-KIUWMYQTSA-N 1 0 322.836 2.268 10 0 DEAERO O=C(NCC1CCOCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171684473 267461516 /nfs/dbraw/zinc/46/15/16/267461516.db2.gz UNJFXKLLDVUGIT-MRXNPFEDSA-N 1 0 309.454 2.073 10 0 DEAERO CN1C[C@H](C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1=O ZINC000658237657 425458767 /nfs/dbraw/zinc/45/87/67/425458767.db2.gz BXOCKYHZHOXUBH-YESZJQIVSA-N 1 0 316.445 2.438 10 0 DEAERO CCc1nc(CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)cs1 ZINC000176551451 267539739 /nfs/dbraw/zinc/53/97/39/267539739.db2.gz YNPHWQKAXPEIHQ-CYBMUJFWSA-N 1 0 310.467 2.331 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccc(-n2ccnn2)cc1 ZINC000189863532 267696326 /nfs/dbraw/zinc/69/63/26/267696326.db2.gz OBUOOAKYMTWYOL-GXFFZTMASA-N 1 0 314.311 2.231 10 0 DEAERO CN(C(=O)c1ccc(Br)o1)[C@H](C[NH3+])C(F)(F)F ZINC000662974979 425769406 /nfs/dbraw/zinc/76/94/06/425769406.db2.gz CIWQSUCNUHCCHB-ZCFIWIBFSA-N 1 0 315.089 2.004 10 0 DEAERO Cc1c(-c2nc(Cc3ccccc3C)no2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656563463 425794165 /nfs/dbraw/zinc/79/41/65/425794165.db2.gz RWXBFZMMEALJDD-CQSZACIVSA-N 1 0 324.388 2.070 10 0 DEAERO Brc1ccc(N2CC[C@@H]([NH2+][C@H]3CCOC3)C2)cc1 ZINC000247029257 273473258 /nfs/dbraw/zinc/47/32/58/273473258.db2.gz NLAAGTIZJZXFAA-OLZOCXBDSA-N 1 0 311.223 2.406 10 0 DEAERO COc1ccc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(C)n1 ZINC000333096192 268885303 /nfs/dbraw/zinc/88/53/03/268885303.db2.gz BTKAADPCXYFEFK-OAHLLOKOSA-N 1 0 318.421 2.395 10 0 DEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H]1[C@@H]3CCO[C@@H]3C1(C)C)CC2 ZINC000333257880 268914563 /nfs/dbraw/zinc/91/45/63/268914563.db2.gz FQWKPDQEIWXSKI-JURCDPSOSA-N 1 0 304.438 2.119 10 0 DEAERO C[C@H](NC(=O)N[C@@H]1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000333821238 268994913 /nfs/dbraw/zinc/99/49/13/268994913.db2.gz RETYRSFFKWDPJO-RRQGHBQHSA-N 1 0 301.434 2.231 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3cncc(OCC4CCCC4)n3)C[C@H]12 ZINC000333893181 269001343 /nfs/dbraw/zinc/00/13/43/269001343.db2.gz HIZHGRLCKAMNPF-QLFBSQMISA-N 1 0 302.422 2.219 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(c3nc4ccccc4nc3N3CCCC3)C[C@H]12 ZINC000333918053 269004295 /nfs/dbraw/zinc/00/42/95/269004295.db2.gz OAMUQUHIFZQWCL-SOUVJXGZSA-N 1 0 323.444 2.404 10 0 DEAERO [NH3+]CC1(O)CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000397006245 269104651 /nfs/dbraw/zinc/10/46/51/269104651.db2.gz CFYWZOFPKLFYBL-UHFFFAOYSA-N 1 0 309.719 2.044 10 0 DEAERO [NH3+]CC1(O)CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000397114697 269104656 /nfs/dbraw/zinc/10/46/56/269104656.db2.gz UCYRSNAQSVXMIQ-UHFFFAOYSA-N 1 0 319.232 2.158 10 0 DEAERO C[C@H]([NH2+]CCC1CC(O)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497228627 269295205 /nfs/dbraw/zinc/29/52/05/269295205.db2.gz ANZURFVDMSGBQW-FGZQJIAISA-N 1 0 312.454 2.383 10 0 DEAERO O=C(C[NH+]1CCC(CCO)CC1)NC1C2CC3CC(C2)CC1C3 ZINC000521657826 269451245 /nfs/dbraw/zinc/45/12/45/269451245.db2.gz FTUBOZJWXJQJEA-UHFFFAOYSA-N 1 0 320.477 2.022 10 0 DEAERO C[C@@]([NH3+])(C(=O)N1CCn2c3ccccc3nc21)c1ccccc1 ZINC000195233787 274447627 /nfs/dbraw/zinc/44/76/27/274447627.db2.gz JHOBZLINURISDH-SFHVURJKSA-N 1 0 306.369 2.257 10 0 DEAERO Cc1nc(N2CCc3ccccc3C2)nc(N2CC[C@@H]([NH3+])C2)c1C ZINC000045947606 274842875 /nfs/dbraw/zinc/84/28/75/274842875.db2.gz LWMQMWSYFLOOOE-QGZVFWFLSA-N 1 0 323.444 2.194 10 0 DEAERO Cn1ccnc1CC1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000182759758 274896962 /nfs/dbraw/zinc/89/69/62/274896962.db2.gz RQXSSAYCWARGQP-PKOBYXMFSA-N 1 0 311.429 2.333 10 0 DEAERO O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CCC(Nc2cccnn2)CC1 ZINC000182753337 275055400 /nfs/dbraw/zinc/05/54/00/275055400.db2.gz TVGVXLCCLRANMQ-FUHWJXTLSA-N 1 0 310.401 2.011 10 0 DEAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261981261 275070726 /nfs/dbraw/zinc/07/07/26/275070726.db2.gz RQWJBBCTFBDCGL-MXASKKJJSA-N 1 0 302.418 2.257 10 0 DEAERO 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RTQMTMUUDRFZKI-YCPHGPKFSA-N 1 0 315.417 2.388 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Cc1c(C)nn(C(F)F)c1C ZINC000065547366 276338615 /nfs/dbraw/zinc/33/86/15/276338615.db2.gz ZKFAFQMYOXRGOP-SNVBAGLBSA-N 1 0 316.396 2.284 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CSCCS2)C12CCOCC2 ZINC000248922657 276474647 /nfs/dbraw/zinc/47/46/47/276474647.db2.gz FIQFFCDJMISEAR-BFHYXJOUSA-N 1 0 317.520 2.399 10 0 DEAERO C[NH2+][C@H]1CCCN([C@H]2CCCN(c3ccc(F)cc3C)C2=O)C1 ZINC000261820983 277042014 /nfs/dbraw/zinc/04/20/14/277042014.db2.gz UMVCVJUSACVPCR-RDJZCZTQSA-N 1 0 319.424 2.313 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1)CC2 ZINC000423911915 277114069 /nfs/dbraw/zinc/11/40/69/277114069.db2.gz SKAYKPJZJDJXEY-UGSOOPFHSA-N 1 0 314.429 2.205 10 0 DEAERO CO[C@@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[C@@H]1C ZINC000187272452 277297593 /nfs/dbraw/zinc/29/75/93/277297593.db2.gz CZOBSLVZVIKUBO-GXTWGEPZSA-N 1 0 311.470 2.362 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000246659324 277393411 /nfs/dbraw/zinc/39/34/11/277393411.db2.gz KQNDLGGGXGHLMX-KLHDSHLOSA-N 1 0 323.481 2.220 10 0 DEAERO C[C@@H](C(=O)N1CCC(c2ccnn2C)CC1)[NH+]1CCCCCC1 ZINC000174030640 277540280 /nfs/dbraw/zinc/54/02/80/277540280.db2.gz ASJRUWXBUAXULU-HNNXBMFYSA-N 1 0 318.465 2.391 10 0 DEAERO C[C@H]([NH3+])C1CCN(c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000111612648 278224536 /nfs/dbraw/zinc/22/45/36/278224536.db2.gz BYQSQPDJGPZYNI-JTQLQIEISA-N 1 0 318.389 2.247 10 0 DEAERO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000248585788 278267834 /nfs/dbraw/zinc/26/78/34/278267834.db2.gz JRMYNCLFCJWXAK-KNXALSJPSA-N 1 0 306.381 2.303 10 0 DEAERO CC(C)(C)CC(=O)NCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107667113 278307385 /nfs/dbraw/zinc/30/73/85/278307385.db2.gz GCVLIOWWVKHPCC-OAHLLOKOSA-N 1 0 323.481 2.016 10 0 DEAERO CC(C)(C)CC(=O)NCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107667110 278307494 /nfs/dbraw/zinc/30/74/94/278307494.db2.gz GCVLIOWWVKHPCC-HNNXBMFYSA-N 1 0 323.481 2.016 10 0 DEAERO CC1(C)C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000269790641 278392064 /nfs/dbraw/zinc/39/20/64/278392064.db2.gz YVJITLFUZACOLA-KRWDZBQOSA-N 1 0 316.445 2.306 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000229365147 278696569 /nfs/dbraw/zinc/69/65/69/278696569.db2.gz FBUVUVSYYPAKNZ-CHWSQXEVSA-N 1 0 314.426 2.109 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000262744194 278841701 /nfs/dbraw/zinc/84/17/01/278841701.db2.gz DBYNCUAIDGWPCY-IUODEOHRSA-N 1 0 310.463 2.260 10 0 DEAERO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000236722418 279069397 /nfs/dbraw/zinc/06/93/97/279069397.db2.gz IMDXFNMXSCBEPN-ZDUSSCGKSA-N 1 0 324.368 2.146 10 0 DEAERO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CC1(CO)CC1 ZINC000186782675 279196944 /nfs/dbraw/zinc/19/69/44/279196944.db2.gz ILXNGGVJYQMWAG-CQSZACIVSA-N 1 0 302.418 2.059 10 0 DEAERO C[C@H](C(=O)N1[C@H](C)COC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000155101021 279213291 /nfs/dbraw/zinc/21/32/91/279213291.db2.gz QDUKQXULMKQHLP-RBSFLKMASA-N 1 0 302.418 2.069 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261556516 279238022 /nfs/dbraw/zinc/23/80/22/279238022.db2.gz VZRYYMGUALNYND-RDJZCZTQSA-N 1 0 303.450 2.094 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2c2ccnn2C)C1 ZINC000332827243 279293303 /nfs/dbraw/zinc/29/33/03/279293303.db2.gz YCOBAHKMWAPAJK-ZBFHGGJFSA-N 1 0 319.453 2.141 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000245475092 279327115 /nfs/dbraw/zinc/32/71/15/279327115.db2.gz ROODHZIUXKTSGE-PBHICJAKSA-N 1 0 307.482 2.192 10 0 DEAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)N1CCc2sccc2C1 ZINC000183153736 279497556 /nfs/dbraw/zinc/49/75/56/279497556.db2.gz XVRXXDFCQXYRSH-SGMGOOAPSA-N 1 0 308.447 2.178 10 0 DEAERO CC[C@H]1CCCCCN1C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000120341161 288184036 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HOLDSDTVHGUZKH-SJPCQFCGSA-N 1 0 302.418 2.335 10 0 DEAERO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249805992 536162874 /nfs/dbraw/zinc/16/28/74/536162874.db2.gz BFPAPIHJEYMPMR-KKUMJFAQSA-N 1 0 304.438 2.119 10 0 DEAERO C[NH2+][C@@H](C)CNC(=O)c1ccccc1SCc1nc(C)no1 ZINC000261844656 536343271 /nfs/dbraw/zinc/34/32/71/536343271.db2.gz WRXWHCPNTLUMAF-JTQLQIEISA-N 1 0 320.418 2.008 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)CSc3ccc(O)cc3)CC[C@H]21 ZINC000248071151 536377593 /nfs/dbraw/zinc/37/75/93/536377593.db2.gz MOCGPPGUGHUWGG-CZUORRHYSA-N 1 0 320.458 2.427 10 0 DEAERO CO[C@@H]1CCN(CC(=O)Nc2ccc(C(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000261639982 536684255 /nfs/dbraw/zinc/68/42/55/536684255.db2.gz DSTRZVOUWDKOHX-IAGOWNOFSA-N 1 0 319.449 2.187 10 0 DEAERO COC(=O)c1ccc(F)c(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000237115570 536718873 /nfs/dbraw/zinc/71/88/73/536718873.db2.gz VNFOEQYAJHMRCT-XEGUGMAKSA-N 1 0 320.364 2.472 10 0 DEAERO COCCOc1cccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000262575870 536727148 /nfs/dbraw/zinc/72/71/48/536727148.db2.gz YDNQCDLINWKXQH-OAHLLOKOSA-N 1 0 306.406 2.429 10 0 DEAERO CC[NH2+]CC[C@H](CO)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000685963233 563961489 /nfs/dbraw/zinc/96/14/89/563961489.db2.gz JYKTVHYSZUZKNF-RBSFLKMASA-N 1 0 314.470 2.488 10 0 DEAERO C[C@@H]1[C@H]([NH2+]C2CCC(C(N)=O)CC2)CCN1Cc1ccccc1 ZINC000309640533 625541817 /nfs/dbraw/zinc/54/18/17/625541817.db2.gz BPYACFVRLWSWPR-AGERRDQYSA-N 1 0 315.461 2.283 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)/C=C\c1ccccc1 ZINC000254952724 622794307 /nfs/dbraw/zinc/79/43/07/622794307.db2.gz ZRSUIKARBSJMIQ-DVFVSVACSA-N 1 0 308.447 2.451 10 0 DEAERO CCC[C@H](C(=O)NCc1cc2c(cc1OC)C[C@H](C)O2)[NH+](C)C ZINC000162666270 625600669 /nfs/dbraw/zinc/60/06/69/625600669.db2.gz DPIDHMHXLREZIR-SWLSCSKDSA-N 1 0 320.433 2.365 10 0 DEAERO CCCCCCNC(=O)[C@H]1CCCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000193227018 625615112 /nfs/dbraw/zinc/61/51/12/625615112.db2.gz MCWMIHJSTZSFQV-GJZGRUSLSA-N 1 0 311.470 2.049 10 0 DEAERO C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000050163841 623798696 /nfs/dbraw/zinc/79/86/96/623798696.db2.gz NBOBQUGXOZRJKL-WDEREUQCSA-N 1 0 318.389 2.483 10 0 DEAERO CCOc1cc2c(cc1NC(=O)C[C@H]1CC[NH2+]C1)O[C@H](C)C2 ZINC000174017346 625682703 /nfs/dbraw/zinc/68/27/03/625682703.db2.gz BYTNQKHLXKFXBH-VXGBXAGGSA-N 1 0 304.390 2.347 10 0 DEAERO CC(C)n1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cn1 ZINC000289733574 623981192 /nfs/dbraw/zinc/98/11/92/623981192.db2.gz NSZGUQMGCOAVEU-CHWSQXEVSA-N 1 0 303.366 2.050 10 0 DEAERO CC(C)(C)OC(=O)CN1CCC[C@@H]1COC(=O)C1CC=CC1 ZINC000177072767 625712367 /nfs/dbraw/zinc/71/23/67/625712367.db2.gz XMWBNZLXYDSVMJ-CQSZACIVSA-N 1 0 309.406 2.302 10 0 DEAERO COC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178209696 624505088 /nfs/dbraw/zinc/50/50/88/624505088.db2.gz KLWLOMPEVMNFHY-SMDDNHRTSA-N 1 0 307.394 2.416 10 0 DEAERO COC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178209673 624505264 /nfs/dbraw/zinc/50/52/64/624505264.db2.gz KLWLOMPEVMNFHY-BXUZGUMPSA-N 1 0 307.394 2.416 10 0 DEAERO C[NH2+]CCc1noc(-c2ccc(F)c(Br)c2)n1 ZINC000234390764 624614637 /nfs/dbraw/zinc/61/46/37/624614637.db2.gz AJFPZZYKVWNFFO-UHFFFAOYSA-N 1 0 300.131 2.400 10 0 DEAERO [NH3+]C[C@H]1CCCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000044559621 624871449 /nfs/dbraw/zinc/87/14/49/624871449.db2.gz NBIXQXVRJDJHPK-LLVKDONJSA-N 1 0 322.352 2.298 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H]1CSCCS1 ZINC000161329199 624911106 /nfs/dbraw/zinc/91/11/06/624911106.db2.gz ACEPCFXHTMRRDD-OLZOCXBDSA-N 1 0 304.525 2.318 10 0 DEAERO Cc1[nH]c2ccc(-c3noc([C@]4(N)CC[N@@H+](C)C4)n3)cc2c1C ZINC000888078174 625057485 /nfs/dbraw/zinc/05/74/85/625057485.db2.gz UEJYMZDJBQLGNO-KRWDZBQOSA-N 1 0 311.389 2.324 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cnc(Cl)cn1 ZINC000178214627 625205859 /nfs/dbraw/zinc/20/58/59/625205859.db2.gz IYWMQBPBMVAJDU-ZDUSSCGKSA-N 1 0 318.808 2.033 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCSC(F)(F)F ZINC000177406533 625930556 /nfs/dbraw/zinc/93/05/56/625930556.db2.gz IXJMPDZNERYIAJ-SNVBAGLBSA-N 1 0 313.389 2.365 10 0 DEAERO C[C@@H](CO)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000086622807 636599461 /nfs/dbraw/zinc/59/94/61/636599461.db2.gz SCLJTLFPAFPTLJ-SKDRFNHKSA-N 1 0 300.196 2.491 10 0 DEAERO CN(CC[N@@H+]1CCC[C@H](C2OCCO2)C1)Cc1ccc(F)cc1 ZINC000186938819 636628216 /nfs/dbraw/zinc/62/82/16/636628216.db2.gz NXODSINTEMQNLD-INIZCTEOSA-N 1 0 322.424 2.342 10 0 DEAERO [NH3+][C@H](CNC(=O)c1ncoc1-c1ccccc1Cl)C1CC1 ZINC000261923646 636754089 /nfs/dbraw/zinc/75/40/89/636754089.db2.gz JLSHFJMWCLQDAX-GFCCVEGCSA-N 1 0 305.765 2.462 10 0 DEAERO C[C@@H]([NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1C[C@H]1C ZINC000321904483 636765435 /nfs/dbraw/zinc/76/54/35/636765435.db2.gz OFCDPUYVCDYQAW-RBSFLKMASA-N 1 0 311.470 2.173 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000262319730 637518481 /nfs/dbraw/zinc/51/84/81/637518481.db2.gz QVVMYEKKHLGSPL-PBHICJAKSA-N 1 0 303.406 2.304 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)c2ccc(NC=O)cc2)CC1 ZINC000746176969 638318582 /nfs/dbraw/zinc/31/85/82/638318582.db2.gz BYWVZWBIYQUWGM-UHFFFAOYSA-N 1 0 317.433 2.449 10 0 DEAERO COC(=O)/C(C)=C\CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000746498981 638349304 /nfs/dbraw/zinc/34/93/04/638349304.db2.gz AVNFJTNPKZPNHS-NVNXTCNLSA-N 1 0 320.408 2.453 10 0 DEAERO CCN1C[C@@H](C[N@H+](C)C/C=C(/C)C(=O)OC)Oc2ccccc21 ZINC000748810676 638593790 /nfs/dbraw/zinc/59/37/90/638593790.db2.gz ZFSNVZHJIJQRPW-BAAYTWLHSA-N 1 0 318.417 2.325 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CSCCS2)CC1 ZINC000750997261 639052278 /nfs/dbraw/zinc/05/22/78/639052278.db2.gz FRLDZIAXJUDQPO-AWEZNQCLSA-N 1 0 316.536 2.415 10 0 DEAERO COC(=O)c1ccc2c(cnn2C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1 ZINC000752803317 639221819 /nfs/dbraw/zinc/22/18/19/639221819.db2.gz IMSYUEJFKFMBHF-DOMZBBRYSA-N 1 0 317.389 2.016 10 0 DEAERO COc1cc(C[NH2+][C@@H](C)[C@@H](C)O)cc(Br)c1O ZINC000342244799 639500550 /nfs/dbraw/zinc/50/05/50/639500550.db2.gz YOMMXKSKSHHBHJ-JGVFFNPUSA-N 1 0 304.184 2.022 10 0 DEAERO CC[C@H]1C[C@@H](C[NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CCO1 ZINC000263525798 640285002 /nfs/dbraw/zinc/28/50/02/640285002.db2.gz TYZQANXEFRHDLG-OTBWCIGPSA-N 1 0 324.465 2.109 10 0 DEAERO CCON1CCC([NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000323532302 642057640 /nfs/dbraw/zinc/05/76/40/642057640.db2.gz XIZBBEXUTYHHGF-STQMWFEESA-N 1 0 315.458 2.294 10 0 DEAERO C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)c1ccc2ccccc2c1 ZINC000899963307 642221126 /nfs/dbraw/zinc/22/11/26/642221126.db2.gz DXCKVZPUIHLJBF-IXDGSTSKSA-N 1 0 312.413 2.472 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000800739600 645301480 /nfs/dbraw/zinc/30/14/80/645301480.db2.gz QYZHIYRQTPVHFE-LRDDRELGSA-N 1 0 321.852 2.400 10 0 DEAERO COC1(CO)CC[NH+](Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC000801951482 645468232 /nfs/dbraw/zinc/46/82/32/645468232.db2.gz GUPWYDWFCWKOEV-UHFFFAOYSA-N 1 0 307.510 2.205 10 0 DEAERO CC(=O)c1ccc(CC(=O)OC[C@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000802132805 645484482 /nfs/dbraw/zinc/48/44/82/645484482.db2.gz NBFBRTBECGNMML-QGZVFWFLSA-N 1 0 319.401 2.084 10 0 DEAERO CC(=O)Nc1ccc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000757185423 645938102 /nfs/dbraw/zinc/93/81/02/645938102.db2.gz UQCOSNLSSMSLCF-GJZGRUSLSA-N 1 0 304.390 2.290 10 0 DEAERO CC[C@H]1CCCCC[N@@H+]1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000150742601 646085673 /nfs/dbraw/zinc/08/56/73/646085673.db2.gz XINXUIMZRFVBOS-INIZCTEOSA-N 1 0 324.465 2.443 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000227262022 646597834 /nfs/dbraw/zinc/59/78/34/646597834.db2.gz IMVRTBYRKUPDPW-QWHCGFSZSA-N 1 0 316.442 2.373 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000075685291 646642428 /nfs/dbraw/zinc/64/24/28/646642428.db2.gz UENIQGVOEUBLDP-NVXWUHKLSA-N 1 0 304.434 2.314 10 0 DEAERO CN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000229090911 646666709 /nfs/dbraw/zinc/66/67/09/646666709.db2.gz HCQKXBMABDCUBH-QLFBSQMISA-N 1 0 311.470 2.364 10 0 DEAERO COC(=O)CCC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000173346038 646766055 /nfs/dbraw/zinc/76/60/55/646766055.db2.gz IIRXYKOGFIAISM-OLZOCXBDSA-N 1 0 314.426 2.223 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)CC[C@@H]2CC[C@H](C)O2)C1 ZINC000174281895 646801406 /nfs/dbraw/zinc/80/14/06/646801406.db2.gz CYFLUFPXPIPGBH-JYJNAYRXSA-N 1 0 313.438 2.234 10 0 DEAERO Cc1nc(CNC(NCc2cccs2)=[NH+]C(C)(C)C)no1 ZINC000088908063 646946531 /nfs/dbraw/zinc/94/65/31/646946531.db2.gz XZCLVWMZXMRPQV-UHFFFAOYSA-N 1 0 307.423 2.473 10 0 DEAERO CCOc1nn(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(=S)s1 ZINC000153197944 647378042 /nfs/dbraw/zinc/37/80/42/647378042.db2.gz LGQMTOJDYNXRDQ-WDEREUQCSA-N 1 0 314.480 2.199 10 0 DEAERO Cc1ccc2oc(=O)n(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)c2c1 ZINC000153238600 647393905 /nfs/dbraw/zinc/39/39/05/647393905.db2.gz FUUPXLIKOLCRNH-UONOGXRCSA-N 1 0 301.390 2.029 10 0 DEAERO COCC[N@@H+]1CCC[C@H](NC(=O)/C=C(\C)c2cccc(F)c2)C1 ZINC000732080110 647539851 /nfs/dbraw/zinc/53/98/51/647539851.db2.gz VVQXGRKGCXHNIF-WKOYGUFESA-N 1 0 320.408 2.456 10 0 DEAERO CN(C)c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)n1 ZINC000733134487 647892211 /nfs/dbraw/zinc/89/22/11/647892211.db2.gz QVCKHEDHCXQTRA-OLZOCXBDSA-N 1 0 322.840 2.158 10 0 DEAERO CC1CC[NH+](CCN2CCOC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000154709900 648075424 /nfs/dbraw/zinc/07/54/24/648075424.db2.gz BGFWNLMDUJVQGN-SJORKVTESA-N 1 0 322.449 2.136 10 0 DEAERO [NH3+]CCCCCCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000238001371 648460044 /nfs/dbraw/zinc/46/00/44/648460044.db2.gz AMDKNURQXDKKRB-UHFFFAOYSA-N 1 0 303.406 2.427 10 0 DEAERO O=S(=O)(/C=C/c1ccc(Cl)cc1)N[C@H]1CCCC[NH2+]C1 ZINC000070120867 648853380 /nfs/dbraw/zinc/85/33/80/648853380.db2.gz MOJXJHQQEJMARV-PLWJUESGSA-N 1 0 314.838 2.372 10 0 DEAERO CCCN(c1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000071332772 649086525 /nfs/dbraw/zinc/08/65/25/649086525.db2.gz LAVYTEXQXHJPIB-GFCCVEGCSA-N 1 0 318.389 2.261 10 0 DEAERO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1O ZINC000184680343 649344565 /nfs/dbraw/zinc/34/45/65/649344565.db2.gz QLPIIUXKAMHEER-ZJUUUORDSA-N 1 0 312.797 2.140 10 0 DEAERO COCc1cccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000073192041 649660344 /nfs/dbraw/zinc/66/03/44/649660344.db2.gz RBPRHRYDSMCBGN-QGZVFWFLSA-N 1 0 321.417 2.347 10 0 DEAERO c1ncn(Cc2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cc2)n1 ZINC000353440685 685344747 /nfs/dbraw/zinc/34/47/47/685344747.db2.gz ZYJROVWGMMOFNE-MRXNPFEDSA-N 1 0 308.389 2.217 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NCc1nc(Br)c[nH]1 ZINC000380079751 685394205 /nfs/dbraw/zinc/39/42/05/685394205.db2.gz RWWHAKKTEXLYTC-SNVBAGLBSA-N 1 0 301.232 2.136 10 0 DEAERO CO[C@@H]1CCC[C@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000383517717 685407782 /nfs/dbraw/zinc/40/77/82/685407782.db2.gz MVJTUJSSOMDDBK-NWDGAFQWSA-N 1 0 302.216 2.193 10 0 DEAERO Cc1nnsc1C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000384189312 685410505 /nfs/dbraw/zinc/41/05/05/685410505.db2.gz USGVUGHRPIIBLJ-IUCAKERBSA-N 1 0 300.428 2.238 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ncccc3Br)C[C@H]21 ZINC000386678444 685419136 /nfs/dbraw/zinc/41/91/36/685419136.db2.gz XWSQCCLGSBIGTI-NQBHXWOUSA-N 1 0 310.239 2.403 10 0 DEAERO Cn1cc(/C=C/C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000048230053 683915211 /nfs/dbraw/zinc/91/52/11/683915211.db2.gz PQRLWWAYKYGWOR-CMDGGOBGSA-N 1 0 324.428 2.346 10 0 DEAERO CN(C)C(=O)Sc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000084061831 684001593 /nfs/dbraw/zinc/00/15/93/684001593.db2.gz QFWDVJJZODVENR-UHFFFAOYSA-N 1 0 321.446 2.158 10 0 DEAERO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CN1CCOC1=S ZINC000088503981 684017067 /nfs/dbraw/zinc/01/70/67/684017067.db2.gz SFSCRXCRSJLJCG-CQSZACIVSA-N 1 0 305.447 2.292 10 0 DEAERO CC(C)[C@H](C(=O)OCCN1CCSCC1)[NH+]1CCCCC1 ZINC000120496069 684096874 /nfs/dbraw/zinc/09/68/74/684096874.db2.gz ICAVOEWPYJNTEF-OAHLLOKOSA-N 1 0 314.495 2.089 10 0 DEAERO C[C@@H]1[C@H](c2ccccc2)CCN1Cn1nc(CO)n(C)c1=S ZINC000120575033 684098046 /nfs/dbraw/zinc/09/80/46/684098046.db2.gz VXHHOPJCIPSQTD-TZMCWYRMSA-N 1 0 318.446 2.279 10 0 DEAERO COCCn1c(C)c(C)n(CN2CC[NH+](C3CC3)CC2)c1=S ZINC000129070644 684175781 /nfs/dbraw/zinc/17/57/81/684175781.db2.gz JICFZVBTVYBNCZ-UHFFFAOYSA-N 1 0 324.494 2.020 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cncnc2)C1 ZINC000131363482 684198968 /nfs/dbraw/zinc/19/89/68/684198968.db2.gz WARWGTNLLCNGEV-ZIAGYGMSSA-N 1 0 306.410 2.402 10 0 DEAERO Cc1nc(CC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cs1 ZINC000132176019 684205877 /nfs/dbraw/zinc/20/58/77/684205877.db2.gz XYZSIMQOFYUSHB-OAHLLOKOSA-N 1 0 317.458 2.283 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]1CSCCS1 ZINC000158022106 684296629 /nfs/dbraw/zinc/29/66/29/684296629.db2.gz QCMHAYBEYCVGQE-QWHCGFSZSA-N 1 0 302.509 2.216 10 0 DEAERO O=C(/C=C/c1ccncn1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000158940204 684307472 /nfs/dbraw/zinc/30/74/72/684307472.db2.gz YIFDDBMMAJGCEK-LXXRFIIISA-N 1 0 309.369 2.308 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)c2cccc(F)n2)ccc1F ZINC000159632198 684318092 /nfs/dbraw/zinc/31/80/92/684318092.db2.gz IPWDXPGYHYGSTA-UHFFFAOYSA-N 1 0 305.328 2.351 10 0 DEAERO CC1(C)OCc2cc(C[NH2+]CCCn3ccnn3)ccc2O1 ZINC000187515609 684338950 /nfs/dbraw/zinc/33/89/50/684338950.db2.gz VJAIWNQKXBYJBP-UHFFFAOYSA-N 1 0 302.378 2.103 10 0 DEAERO CO[C@@H]1CN(Cn2c(=O)sc3c2CC[C@@H](C)C3)CC[C@@H]1C ZINC000190190232 684397659 /nfs/dbraw/zinc/39/76/59/684397659.db2.gz MFBXCIQZTNBQIS-MBNYWOFBSA-N 1 0 310.463 2.349 10 0 DEAERO C[C@@H]1CN=C(N2CC[NH+](C[C@H](O)CC3CCCC3)CC2)S1 ZINC000190895476 684416593 /nfs/dbraw/zinc/41/65/93/684416593.db2.gz SQZCGNHNAOPCOK-UKRRQHHQSA-N 1 0 311.495 2.037 10 0 DEAERO CCNS(=O)(=O)CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000223163090 685107492 /nfs/dbraw/zinc/10/74/92/685107492.db2.gz IHUCOAVMWHDFDG-CQSZACIVSA-N 1 0 316.854 2.320 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NOCc1ccccc1 ZINC000246126052 685123845 /nfs/dbraw/zinc/12/38/45/685123845.db2.gz IRLLQZGSXVPSJS-CVEARBPZSA-N 1 0 303.406 2.386 10 0 DEAERO C[C@H]([NH2+][C@H]1C[C@H]1C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000248745518 685167335 /nfs/dbraw/zinc/16/73/35/685167335.db2.gz RYOGFYBUNXCFPQ-YQFWSFKMSA-N 1 0 318.417 2.411 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCOC2)[C@H]1c1ccccc1 ZINC000249093206 685174246 /nfs/dbraw/zinc/17/42/46/685174246.db2.gz LAJXNPDEQRCPGU-UWWQBHOKSA-N 1 0 302.418 2.365 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccoc1 ZINC000249289325 685177885 /nfs/dbraw/zinc/17/78/85/685177885.db2.gz JXOKWRPWNAYOMS-RHSMWYFYSA-N 1 0 313.401 2.244 10 0 DEAERO CC[C@H]1CN(c2ccccc2S(=O)(=O)C(F)F)CC[C@H]1[NH3+] ZINC000251562949 685191321 /nfs/dbraw/zinc/19/13/21/685191321.db2.gz BOLGKQUMMJWDII-WDEREUQCSA-N 1 0 318.389 2.247 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251844696 685192040 /nfs/dbraw/zinc/19/20/40/685192040.db2.gz QVELPETZVOISQW-IKVQXRKZSA-N 1 0 314.838 2.310 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C2CC2)C(C)(C)C1 ZINC000300807076 685226754 /nfs/dbraw/zinc/22/67/54/685226754.db2.gz GNJSQAWITSARAY-ZIAGYGMSSA-N 1 0 312.454 2.383 10 0 DEAERO CC(=O)N1C[C@@H]([NH2+]Cc2c(C)noc2C)CC[C@@H]1C(F)(F)F ZINC000886065718 691996397 /nfs/dbraw/zinc/99/63/97/691996397.db2.gz RLZAPEKNANVAFR-WCQYABFASA-N 1 0 319.327 2.323 10 0 DEAERO COc1cc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)sn1 ZINC000399118742 790320076 /nfs/dbraw/zinc/32/00/76/790320076.db2.gz KPNRAALGTWYOSC-AATRIKPKSA-N 1 0 313.423 2.322 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c1C ZINC000722594635 776540937 /nfs/dbraw/zinc/54/09/37/776540937.db2.gz VUJKQCSFCTWFIH-SNVBAGLBSA-N 1 0 316.492 2.421 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c1C ZINC000722600479 776547011 /nfs/dbraw/zinc/54/70/11/776547011.db2.gz LTMIQGBQDPFPOY-UHFFFAOYSA-N 1 0 316.492 2.341 10 0 DEAERO FC(F)(F)[C@@H]1CC[C@H](C[NH+]2CCC(C3OCCO3)CC2)O1 ZINC000721464827 777053605 /nfs/dbraw/zinc/05/36/05/777053605.db2.gz FFRRJLJGCXEQNU-NEPJUHHUSA-N 1 0 309.328 2.181 10 0 DEAERO CN1C[C@H](CC[NH2+]Cc2ccsc2Br)CC1=O ZINC000723547031 777121379 /nfs/dbraw/zinc/12/13/79/777121379.db2.gz CBUQYYSSQKKDLQ-SECBINFHSA-N 1 0 317.252 2.469 10 0 DEAERO CCn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000723836310 777178983 /nfs/dbraw/zinc/17/89/83/777178983.db2.gz KTSQMOCDXUSEKV-ZIAGYGMSSA-N 1 0 322.453 2.496 10 0 DEAERO CC[C@@H]([NH2+]CCn1cc(Br)cn1)[C@H]1CCCOC1 ZINC000724007740 777219873 /nfs/dbraw/zinc/21/98/73/777219873.db2.gz SLVIJIQOFCDKTL-WCQYABFASA-N 1 0 316.243 2.440 10 0 DEAERO C[C@](O)(C[NH2+]CC[C@@H]1CCCCO1)C(F)(F)C(F)(F)F ZINC000724036036 777225579 /nfs/dbraw/zinc/22/55/79/777225579.db2.gz JAGRSWOGVGTUNR-UWVGGRQHSA-N 1 0 305.287 2.484 10 0 DEAERO Brc1ccc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000724637148 777417781 /nfs/dbraw/zinc/41/77/81/777417781.db2.gz VCNZXQGTYYAWKH-XBFCOCLRSA-N 1 0 312.207 2.343 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000725082926 777581628 /nfs/dbraw/zinc/58/16/28/777581628.db2.gz HKTOYFUVJXBFFT-SKDRFNHKSA-N 1 0 302.465 2.113 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000725116059 777588995 /nfs/dbraw/zinc/58/89/95/777588995.db2.gz AJMGQQLKISSVJT-GFCCVEGCSA-N 1 0 304.481 2.359 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000725115487 777589464 /nfs/dbraw/zinc/58/94/64/777589464.db2.gz URSLWFOVCBPORT-CMPLNLGQSA-N 1 0 302.465 2.255 10 0 DEAERO CC[C@@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000722236738 778511982 /nfs/dbraw/zinc/51/19/82/778511982.db2.gz YVFAYDFHTMINJB-ZIAGYGMSSA-N 1 0 316.854 2.463 10 0 DEAERO Brc1c[nH]c(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)n1 ZINC000722315558 778603500 /nfs/dbraw/zinc/60/35/00/778603500.db2.gz CCJBCGIVXYBWNX-UWVGGRQHSA-N 1 0 300.200 2.219 10 0 DEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CCO1 ZINC000722499948 778742201 /nfs/dbraw/zinc/74/22/01/778742201.db2.gz FNDSVEKQZKTDPU-MCIONIFRSA-N 1 0 314.426 2.331 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c1C ZINC000722569352 778789619 /nfs/dbraw/zinc/78/96/19/778789619.db2.gz WUHAJJSHDRWPSA-GXTWGEPZSA-N 1 0 314.476 2.236 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c1C ZINC000722569355 778789745 /nfs/dbraw/zinc/78/97/45/778789745.db2.gz WUHAJJSHDRWPSA-TZMCWYRMSA-N 1 0 314.476 2.236 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000721858845 780394663 /nfs/dbraw/zinc/39/46/63/780394663.db2.gz GALRVKZAIBQVEX-LXTVHRRPSA-N 1 0 311.470 2.314 10 0 DEAERO Cc1c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cnn1C ZINC000721895187 781584350 /nfs/dbraw/zinc/58/43/50/781584350.db2.gz CNQJWAWSMQEFMO-CQSZACIVSA-N 1 0 322.453 2.464 10 0 DEAERO CCN1CCC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1=O ZINC000722344506 787328663 /nfs/dbraw/zinc/32/86/63/787328663.db2.gz BMFZDGYWIAZZHR-JCYILVPMSA-N 1 0 302.418 2.335 10 0 DEAERO C[C@@H]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)O1 ZINC000724096788 787349521 /nfs/dbraw/zinc/34/95/21/787349521.db2.gz OQIZLPBGRKYZFH-OPRDCNLKSA-N 1 0 305.287 2.482 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397821950 790223565 /nfs/dbraw/zinc/22/35/65/790223565.db2.gz KESCXFXWATZECL-TUAOUCFPSA-N 1 0 316.442 2.275 10 0 DEAERO CCC[C@H](C[NH2+]Cc1cn(C)nc1Br)OCC ZINC000712479856 792190512 /nfs/dbraw/zinc/19/05/12/792190512.db2.gz OYCSTUIYVJTIMT-LLVKDONJSA-N 1 0 304.232 2.477 10 0 DEAERO CCC(C)(C)OCC[NH2+]Cc1cn(C)nc1Br ZINC000712498870 792190913 /nfs/dbraw/zinc/19/09/13/792190913.db2.gz RQBWIMVXTVPKQT-UHFFFAOYSA-N 1 0 304.232 2.477 10 0 DEAERO CCN1CC[C@H]1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000712593763 792191685 /nfs/dbraw/zinc/19/16/85/792191685.db2.gz IAPISJODXMYXDR-UONOGXRCSA-N 1 0 313.239 2.166 10 0 DEAERO CCN1CC[C@@H]1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000712593650 792192049 /nfs/dbraw/zinc/19/20/49/792192049.db2.gz CVUKUXUPCNZIGB-OAHLLOKOSA-N 1 0 311.470 2.317 10 0 DEAERO Cc1nn(C)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000713304440 792219891 /nfs/dbraw/zinc/21/98/91/792219891.db2.gz LYKFWGRLRPSSPZ-XJKSGUPXSA-N 1 0 312.417 2.435 10 0 DEAERO CO[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2Br)C12CCC2 ZINC000713505944 792235994 /nfs/dbraw/zinc/23/59/94/792235994.db2.gz KMJYLCLARDIZQT-MNOVXSKESA-N 1 0 314.227 2.230 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713869217 792264147 /nfs/dbraw/zinc/26/41/47/792264147.db2.gz DZSDITIDLDKBTH-GHMZBOCLSA-N 1 0 317.216 2.316 10 0 DEAERO [NH3+]C[C@H]1C[C@H](c2nc(-c3ccc(Br)cc3)no2)CO1 ZINC000714090263 792284560 /nfs/dbraw/zinc/28/45/60/792284560.db2.gz ZIUQWFDJCKPWGY-GXSJLCMTSA-N 1 0 324.178 2.330 10 0 DEAERO CCC1([NH3+])CCN(S(=O)(=O)c2cccc(C)c2F)CC1 ZINC000714330929 792308588 /nfs/dbraw/zinc/30/85/88/792308588.db2.gz PSNUGZCDBDZMNR-UHFFFAOYSA-N 1 0 300.399 2.026 10 0 DEAERO Cc1nc([C@@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)c(C)s1 ZINC000714334748 792308640 /nfs/dbraw/zinc/30/86/40/792308640.db2.gz KMGRKKCGCHOXJM-BXKDBHETSA-N 1 0 302.465 2.378 10 0 DEAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)CCO1 ZINC000714336184 792309002 /nfs/dbraw/zinc/30/90/02/792309002.db2.gz ACOGQOOSIOVSQZ-IHRRRGAJSA-N 1 0 303.468 2.137 10 0 DEAERO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1ccc(F)c(F)c1F ZINC000714347435 792310419 /nfs/dbraw/zinc/31/04/19/792310419.db2.gz KLVDGGAXGRVHNU-JTQLQIEISA-N 1 0 307.337 2.161 10 0 DEAERO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cc(F)c(F)cc1F ZINC000714362923 792311163 /nfs/dbraw/zinc/31/11/63/792311163.db2.gz KEQVWPRLRAMEBT-JTQLQIEISA-N 1 0 307.337 2.161 10 0 DEAERO CC(C)(C[NH3+])C1CCN(c2ncncc2Br)CC1 ZINC000714392575 792319358 /nfs/dbraw/zinc/31/93/58/792319358.db2.gz SGJLDXHQXDYTAE-UHFFFAOYSA-N 1 0 313.243 2.440 10 0 DEAERO COc1nsc(C[NH2+]C[C@H]2C[C@H](OC)C2)c1Br ZINC000714684309 792335568 /nfs/dbraw/zinc/33/55/68/792335568.db2.gz VUJCURQBVBFPBF-ZKCHVHJHSA-N 1 0 321.240 2.429 10 0 DEAERO COc1cccc(/C(C)=C\C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000751362851 792339032 /nfs/dbraw/zinc/33/90/32/792339032.db2.gz LVCQJHSRNHAOTK-VSKPTYQZSA-N 1 0 300.402 2.451 10 0 DEAERO [NH3+][C@H]1C[C@H](NCc2ncc(Br)s2)C12CCC2 ZINC000714950559 792374643 /nfs/dbraw/zinc/37/46/43/792374643.db2.gz ISUFYVIJGDBIRW-YUMQZZPRSA-N 1 0 302.241 2.265 10 0 DEAERO CC(C)n1cc(Br)cc1C(=O)NCC1CC([NH3+])C1 ZINC000715123465 792384242 /nfs/dbraw/zinc/38/42/42/792384242.db2.gz ZNFGJAKQHUKDQG-UHFFFAOYSA-N 1 0 314.227 2.299 10 0 DEAERO C[C@H](Cc1ccccc1Cl)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715159052 792398117 /nfs/dbraw/zinc/39/81/17/792398117.db2.gz VJECWVLDXLTIMW-QRTLGDNMSA-N 1 0 302.752 2.227 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2c2nccs2)C1(F)F ZINC000715134547 792406995 /nfs/dbraw/zinc/40/69/95/792406995.db2.gz WUHQRGIYMJSTND-OPRDCNLKSA-N 1 0 301.362 2.037 10 0 DEAERO Nc1nc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)nc(C2CC2)n1 ZINC000715694962 792506306 /nfs/dbraw/zinc/50/63/06/792506306.db2.gz HKFORDABSQFSMX-CQSZACIVSA-N 1 0 310.405 2.018 10 0 DEAERO C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)c1cn(C)nn1 ZINC000715876277 792529561 /nfs/dbraw/zinc/52/95/61/792529561.db2.gz HWYLXYCKVJRRNM-CYZMBNFOSA-N 1 0 323.441 2.158 10 0 DEAERO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000716444722 792958618 /nfs/dbraw/zinc/95/86/18/792958618.db2.gz ANZPCKNUOLRHEU-OLZOCXBDSA-N 1 0 308.426 2.453 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000716567095 792973621 /nfs/dbraw/zinc/97/36/21/792973621.db2.gz NWXHSWQAOPQOIG-LLVKDONJSA-N 1 0 316.854 2.315 10 0 DEAERO C[C@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)N(C)C ZINC000716730982 793003697 /nfs/dbraw/zinc/00/36/97/793003697.db2.gz ISZBEAOAQIDOOZ-DKIMLUQUSA-N 1 0 315.461 2.106 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CC[C@H](O)C(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000716763587 793007666 /nfs/dbraw/zinc/00/76/66/793007666.db2.gz GDRGPFKGHKDPHR-UTUOFQBUSA-N 1 0 322.396 2.238 10 0 DEAERO Cn1cc(C[NH2+]CC[C@H]2CC(C)(C)CO2)c(Br)n1 ZINC000717350444 799381424 /nfs/dbraw/zinc/38/14/24/799381424.db2.gz ZTJYETSSYWDMGO-NSHDSACASA-N 1 0 316.243 2.477 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000717595561 799424895 /nfs/dbraw/zinc/42/48/95/799424895.db2.gz SBWZKLRFXVWTHN-BPLDGKMQSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401702651 801842935 /nfs/dbraw/zinc/84/29/35/801842935.db2.gz AWGQNZIVWPYTQR-ILXRZTDVSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC000401751487 801848443 /nfs/dbraw/zinc/84/84/43/801848443.db2.gz YALPIWYHFJOCFL-TZMCWYRMSA-N 1 0 308.426 2.155 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401759239 801848948 /nfs/dbraw/zinc/84/89/48/801848948.db2.gz AYUGFNFJQKPEKJ-AGIUHOORSA-N 1 0 316.442 2.229 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nccnc1F ZINC000402651895 801899134 /nfs/dbraw/zinc/89/91/34/801899134.db2.gz JXFNHGXIXUGDFU-ZFWWWQNUSA-N 1 0 300.381 2.360 10 0 DEAERO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccnc(F)c1F ZINC000193573901 802463650 /nfs/dbraw/zinc/46/36/50/802463650.db2.gz GZZYFHWVQDPCHP-LBPRGKRZSA-N 1 0 309.360 2.354 10 0 DEAERO CC(=O)C1CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000316078533 802499121 /nfs/dbraw/zinc/49/91/21/802499121.db2.gz QIKBQQGTDRSCET-UHFFFAOYSA-N 1 0 301.390 2.021 10 0 DEAERO CCCNC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000034668620 1078142428 /nfs/dbraw/zinc/14/24/28/1078142428.db2.gz PTDXQVUFDSSPSO-UHFFFAOYSA-N 1 0 309.841 2.378 10 0 DEAERO O=c1ccc(Br)cn1CC[NH2+]Cc1ccccc1 ZINC000053522913 1078576268 /nfs/dbraw/zinc/57/62/68/1078576268.db2.gz LQRBNJJUZRURSG-UHFFFAOYSA-N 1 0 307.191 2.401 10 0 DEAERO C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(C(F)(F)F)s1 ZINC000717981591 1081854707 /nfs/dbraw/zinc/85/47/07/1081854707.db2.gz GBGAPEYOSLTWSM-CABZTGNLSA-N 1 0 308.369 2.484 10 0 DEAERO CC(C)(CCS(=O)(=O)N1CCC[C@H](CC[NH3+])C1)C1CC1 ZINC000717984989 1081855964 /nfs/dbraw/zinc/85/59/64/1081855964.db2.gz UTWWCBJIJUAOAA-CYBMUJFWSA-N 1 0 302.484 2.203 10 0 DEAERO C=Cn1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cn1 ZINC000721933033 1084510515 /nfs/dbraw/zinc/51/05/15/1084510515.db2.gz 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O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]CC2CSC2)C1 ZINC000700475119 1086317079 /nfs/dbraw/zinc/31/70/79/1086317079.db2.gz MWJUMJVFGAMPBJ-OAHLLOKOSA-N 1 0 306.431 2.350 10 0 DEAERO O=C(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000702295769 1086419942 /nfs/dbraw/zinc/41/99/42/1086419942.db2.gz ISBYOSZEEJQVTQ-SNVBAGLBSA-N 1 0 300.189 2.309 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(Cc3ncccc3Br)C[C@]2(C)C1 ZINC000702412397 1086431292 /nfs/dbraw/zinc/43/12/92/1086431292.db2.gz ZAAZSDHPOBLVIE-RISCZKNCSA-N 1 0 310.239 2.228 10 0 DEAERO C[C@H](CC(=O)NCCC1SCCS1)[C@@H]1CCC[NH2+]C1 ZINC000703343318 1086494171 /nfs/dbraw/zinc/49/41/71/1086494171.db2.gz ZDOZNNQXVMGXOZ-VXGBXAGGSA-N 1 0 302.509 2.325 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@H]2CNOC2)cc1Br ZINC000703361643 1086495607 /nfs/dbraw/zinc/49/56/07/1086495607.db2.gz BUJIEEWSQUQWRX-WPRPVWTQSA-N 1 0 301.184 2.012 10 0 DEAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cccn1Cc1ccccc1)C2 ZINC000703574414 1086522795 /nfs/dbraw/zinc/52/27/95/1086522795.db2.gz XVCJJAYQBPEWNS-QFBILLFUSA-N 1 0 309.413 2.218 10 0 DEAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cccc(Br)c1)C2 ZINC000703563281 1086524703 /nfs/dbraw/zinc/52/47/03/1086524703.db2.gz WBWGBMPROVOPEO-SMDDNHRTSA-N 1 0 309.207 2.131 10 0 DEAERO O=C(c1ccoc1Br)N1CCC([NH+]2CCC2)CC1 ZINC000703954306 1086566623 /nfs/dbraw/zinc/56/66/23/1086566623.db2.gz CEVYDUYZHYXGPX-UHFFFAOYSA-N 1 0 313.195 2.352 10 0 DEAERO COC[C@@H](C)OC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000704466583 1086580214 /nfs/dbraw/zinc/58/02/14/1086580214.db2.gz RYNMRBPAZBNMOR-OAHLLOKOSA-N 1 0 306.406 2.366 10 0 DEAERO Cc1cc(C[NH2+]CCOCCN(C)C(=O)OC(C)(C)C)ccn1 ZINC000705924444 1086626696 /nfs/dbraw/zinc/62/66/96/1086626696.db2.gz WNHLWCHSZUSOPC-UHFFFAOYSA-N 1 0 323.437 2.363 10 0 DEAERO CN(CCOCC[NH2+]C[C@@H]1CCSC1)C(=O)OC(C)(C)C ZINC000705901954 1086627684 /nfs/dbraw/zinc/62/76/84/1086627684.db2.gz AIFHHNDOIOTMAP-ZDUSSCGKSA-N 1 0 318.483 2.213 10 0 DEAERO CN(CCOCC[NH2+]C[C@H]1CCC=CO1)C(=O)OC(C)(C)C ZINC000705902212 1086627879 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O=S(=O)(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cccc(Cl)c1F ZINC000711639407 1087175549 /nfs/dbraw/zinc/17/55/49/1087175549.db2.gz LHBRCCJAHSWESE-AAEUAGOBSA-N 1 0 318.801 2.042 10 0 DEAERO Cn1ccc(C[NH2+][C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)n1 ZINC000711706005 1087192975 /nfs/dbraw/zinc/19/29/75/1087192975.db2.gz JWZBYVMYOUEJEL-WMLDXEAASA-N 1 0 320.437 2.442 10 0 DEAERO [NH3+]C1CC(CC(=O)NCc2cc(F)ccc2Br)C1 ZINC000718063530 1087799382 /nfs/dbraw/zinc/79/93/82/1087799382.db2.gz MSQATHLZOQXTGC-UHFFFAOYSA-N 1 0 315.186 2.332 10 0 DEAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000718350505 1088487760 /nfs/dbraw/zinc/48/77/60/1088487760.db2.gz FJZFZIFHUTWDQX-BFHYXJOUSA-N 1 0 314.426 2.475 10 0 DEAERO CO[C@@H]1CCC[C@@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)CC1 ZINC000718781292 1088648638 /nfs/dbraw/zinc/64/86/38/1088648638.db2.gz YTHKGJRZBGGOET-ZIAGYGMSSA-N 1 0 303.468 2.139 10 0 DEAERO Cc1nc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)sc1Br ZINC000719254857 1088913886 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CC(=O)N(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000278250027 214047895 /nfs/dbraw/zinc/04/78/95/214047895.db2.gz BWFBMGOPMYPALM-CXAGYDPISA-N 1 0 317.433 2.082 10 0 DEAERO Brc1cccc(Cc2noc(CC3C[NH2+]C3)n2)c1 ZINC000081767594 192321346 /nfs/dbraw/zinc/32/13/46/192321346.db2.gz PLAJOXHQCWMOEE-UHFFFAOYSA-N 1 0 308.179 2.185 10 0 DEAERO CCc1ccc([C@@H]([NH3+])[C@H](C)SCCS(C)(=O)=O)cc1 ZINC000081768195 192321808 /nfs/dbraw/zinc/32/18/08/192321808.db2.gz ITQJMAVIFYQECK-FZMZJTMJSA-N 1 0 301.477 2.415 10 0 DEAERO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)Sc1nnnn1C ZINC000081843719 192330382 /nfs/dbraw/zinc/33/03/82/192330382.db2.gz NSSTYHNPVLNVFN-ZWNOBZJWSA-N 1 0 307.423 2.050 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1ncccn1)OCCO2 ZINC000081871398 192332704 /nfs/dbraw/zinc/33/27/04/192332704.db2.gz OAMNSCFPVOFWHM-OLZOCXBDSA-N 1 0 309.435 2.233 10 0 DEAERO CCCn1c(=O)[nH]nc1S[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000081879304 192332829 /nfs/dbraw/zinc/33/28/29/192332829.db2.gz BBAGFJAGSWVLPO-FRRDWIJNSA-N 1 0 312.483 2.486 10 0 DEAERO [NH3+][C@@H]1CCC2(C[C@@H]1Sc1nc3ccccc3[nH]1)OCCO2 ZINC000081862758 192333593 /nfs/dbraw/zinc/33/35/93/192333593.db2.gz KKCAWZNZNRZAEQ-MFKMUULPSA-N 1 0 305.403 2.278 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(C)cc1C ZINC000081922486 192339158 /nfs/dbraw/zinc/33/91/58/192339158.db2.gz PCHSXTHLQDRATE-ZBFHGGJFSA-N 1 0 311.447 2.234 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccccc1Cl ZINC000081920551 192339224 /nfs/dbraw/zinc/33/92/24/192339224.db2.gz DVSQGTKQZVIJDW-TZMCWYRMSA-N 1 0 317.838 2.271 10 0 DEAERO CCCC[C@@H](C[NH3+])NC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000162822987 197593756 /nfs/dbraw/zinc/59/37/56/197593756.db2.gz WWCGOMXEQLBMRN-AWEZNQCLSA-N 1 0 300.406 2.428 10 0 DEAERO CCC(CC)(C[NH2+][C@@H](C)C1(OC)CCOCC1)C(=O)OC ZINC000453206312 282120760 /nfs/dbraw/zinc/12/07/60/282120760.db2.gz YHEWVPMDYXVNGL-ZDUSSCGKSA-N 1 0 301.427 2.140 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccccc1F ZINC000081922856 192339964 /nfs/dbraw/zinc/33/99/64/192339964.db2.gz BPGLWWBYKFNAKZ-JKSUJKDBSA-N 1 0 305.374 2.485 10 0 DEAERO COc1cccc([C@H]([NH3+])CS(=O)(=O)c2ccccc2F)c1 ZINC000081922986 192340038 /nfs/dbraw/zinc/34/00/38/192340038.db2.gz FPWVAKXFWCVWMI-CQSZACIVSA-N 1 0 309.362 2.308 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)CC)c1ccc(OC)cc1OC ZINC000081926286 192340477 /nfs/dbraw/zinc/34/04/77/192340477.db2.gz FXYQLJHSABHXKF-CQSZACIVSA-N 1 0 315.435 2.179 10 0 DEAERO CC[NH2+][C@H](C)[C@H](C)c1c(Br)cnn1CCOC ZINC000162958312 197602989 /nfs/dbraw/zinc/60/29/89/197602989.db2.gz DTKWQRRYDJNEJP-VHSXEESVSA-N 1 0 304.232 2.394 10 0 DEAERO NC(=O)N1CCC([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000163360959 197625799 /nfs/dbraw/zinc/62/57/99/197625799.db2.gz OWCSYWPFAOIKCU-CQSZACIVSA-N 1 0 322.840 2.051 10 0 DEAERO CCc1cccc(CC(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)c1 ZINC000152390854 282143382 /nfs/dbraw/zinc/14/33/82/282143382.db2.gz VUYSBXFAWAUYPO-SFHVURJKSA-N 1 0 318.461 2.361 10 0 DEAERO Cc1ncc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c(C(C)C)n1 ZINC000246758968 282147108 /nfs/dbraw/zinc/14/71/08/282147108.db2.gz BRUSBCFSVSGWTB-DOMZBBRYSA-N 1 0 304.438 2.367 10 0 DEAERO CC[NH2+][C@H](c1ccc(CC)cc1)[C@H](C)S(=O)(=O)CCOC ZINC000081944998 192344972 /nfs/dbraw/zinc/34/49/72/192344972.db2.gz OOHJJPSXYOBMNH-BBRMVZONSA-N 1 0 313.463 2.349 10 0 DEAERO CCC(CC)CN(CC(=O)OC)C(=O)CC[C@@H](C)CC[NH3+] ZINC000079118528 185159262 /nfs/dbraw/zinc/15/92/62/185159262.db2.gz VLGKDNUEGZYQEX-CYBMUJFWSA-N 1 0 300.443 2.189 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(N(C)C)n1 ZINC000152857817 282156647 /nfs/dbraw/zinc/15/66/47/282156647.db2.gz LTPLYHPHAFMLBJ-CQSZACIVSA-N 1 0 319.453 2.390 10 0 DEAERO Cc1ccc2cc(CN3CCO[C@H](C[NH3+])C3)c(Cl)nc2c1 ZINC000165011479 197667992 /nfs/dbraw/zinc/66/79/92/197667992.db2.gz FUCHXVSRBGRMIJ-CQSZACIVSA-N 1 0 305.809 2.356 10 0 DEAERO CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)CCO1 ZINC000333557443 282954548 /nfs/dbraw/zinc/95/45/48/282954548.db2.gz KZXKDKOWBIHWQH-CABCVRRESA-N 1 0 323.481 2.365 10 0 DEAERO CCCCS(=O)(=O)[C@@H]1CCc2cc(OC)ccc2[C@@H]1[NH2+]C ZINC000081973207 192346936 /nfs/dbraw/zinc/34/69/36/192346936.db2.gz GBBVALLBLOVAAD-CVEARBPZSA-N 1 0 311.447 2.485 10 0 DEAERO [NH3+][C@@H]1CC[C@H](S(=O)(=O)c2ccccc2Br)C1 ZINC000082820014 185208530 /nfs/dbraw/zinc/20/85/30/185208530.db2.gz IYHPVQZMSZLMGP-BDAKNGLRSA-N 1 0 304.209 2.103 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1cc(Br)cs1 ZINC000082922081 185209505 /nfs/dbraw/zinc/20/95/05/185209505.db2.gz YELNDWNEOKFRLM-ZJUUUORDSA-N 1 0 303.225 2.254 10 0 DEAERO CC[C@H]1CN(c2cccc(I)c2)CC[NH2+]1 ZINC000083061333 185212442 /nfs/dbraw/zinc/21/24/42/185212442.db2.gz ZNBVKRAMLJDPPT-NSHDSACASA-N 1 0 316.186 2.479 10 0 DEAERO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(C)n1-c1nccs1 ZINC000170867099 282180536 /nfs/dbraw/zinc/18/05/36/282180536.db2.gz UIAUSTAXUPPHKR-ZDUSSCGKSA-N 1 0 318.446 2.327 10 0 DEAERO Cc1nnc([C@H]2CCCCN2C(=O)[C@H](C)[NH+]2CCCCCC2)[nH]1 ZINC000328674718 231300428 /nfs/dbraw/zinc/30/04/28/231300428.db2.gz KCBCKOLXNNMNGN-DZGCQCFKSA-N 1 0 319.453 2.431 10 0 DEAERO COc1cc(OC)cc([C@@H]2CC[N@H+](CCn3cccn3)C2)c1 ZINC000083402939 185222295 /nfs/dbraw/zinc/22/22/95/185222295.db2.gz GWUUOCCIUCCZAF-CQSZACIVSA-N 1 0 301.390 2.390 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N[C@@H](CC)C[NH3+] ZINC000087385559 185223371 /nfs/dbraw/zinc/22/33/71/185223371.db2.gz RLDORHIZKWEXLX-JTQLQIEISA-N 1 0 302.216 2.128 10 0 DEAERO CCC[C@H](C[NH3+])NC(=O)c1ccc(OC)c(Br)c1 ZINC000087387656 185223389 /nfs/dbraw/zinc/22/33/89/185223389.db2.gz YKIZCAVWIYQKDG-SNVBAGLBSA-N 1 0 315.211 2.315 10 0 DEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000087403942 185223828 /nfs/dbraw/zinc/22/38/28/185223828.db2.gz RRVAFEMRCRCBBS-XEHSLEBBSA-N 1 0 302.827 2.358 10 0 DEAERO CC(C)[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000087404610 185223942 /nfs/dbraw/zinc/22/39/42/185223942.db2.gz OXWXUWPMQZXXGQ-ZCFIWIBFSA-N 1 0 317.263 2.317 10 0 DEAERO CCCc1nnsc1C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000087455672 185225542 /nfs/dbraw/zinc/22/55/42/185225542.db2.gz HMNHVRRNWPWUOG-YPMHNXCESA-N 1 0 308.451 2.237 10 0 DEAERO CCCc1nnsc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000087455402 185225673 /nfs/dbraw/zinc/22/56/73/185225673.db2.gz VOVQDRZRUATGSQ-RYUDHWBXSA-N 1 0 308.451 2.095 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000087778966 185231750 /nfs/dbraw/zinc/23/17/50/185231750.db2.gz NRMUOHWBFOJMBK-HOCLYGCPSA-N 1 0 308.447 2.359 10 0 DEAERO CC(C)[C@@H](C[NH3+])C(=O)NCc1cc(Br)ccc1F ZINC000087533018 185228148 /nfs/dbraw/zinc/22/81/48/185228148.db2.gz OQVNWEBSDCEJHQ-LLVKDONJSA-N 1 0 317.202 2.435 10 0 DEAERO CC[C@@H](CC[NH3+])N1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000087639621 185229780 /nfs/dbraw/zinc/22/97/80/185229780.db2.gz UCYDVEWZCBWQTA-LBPRGKRZSA-N 1 0 311.499 2.085 10 0 DEAERO C[C@@H](CC[NH3+])C(=O)N(C)Cc1csc(Br)c1 ZINC000087636101 185229824 /nfs/dbraw/zinc/22/98/24/185229824.db2.gz CSRLSWVGSHNITE-QMMMGPOBSA-N 1 0 305.241 2.454 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])[C@@H]2CCCS2)c1Br ZINC000087711935 185230994 /nfs/dbraw/zinc/23/09/94/185230994.db2.gz GBLDRZAHZRDIDA-WPRPVWTQSA-N 1 0 304.257 2.256 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])[C@H]2CCCS2)c1Br ZINC000087711937 185231034 /nfs/dbraw/zinc/23/10/34/185231034.db2.gz GBLDRZAHZRDIDA-WCBMZHEXSA-N 1 0 304.257 2.256 10 0 DEAERO [NH3+]Cc1ccc(CS(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000087768753 185231567 /nfs/dbraw/zinc/23/15/67/185231567.db2.gz BEGVAIJAEUUMQX-HOTGVXAUSA-N 1 0 308.447 2.240 10 0 DEAERO COc1ccc(Br)c(CNC[C@@H]2CC[N@H+](C)C2)c1 ZINC000087787578 185231730 /nfs/dbraw/zinc/23/17/30/185231730.db2.gz UKEGOPQLLKKYTK-NSHDSACASA-N 1 0 313.239 2.499 10 0 DEAERO CCOCOc1c(Br)cc(CC[NH3+])cc1OC ZINC000087888862 185234734 /nfs/dbraw/zinc/23/47/34/185234734.db2.gz FNWODJWYPQKTHJ-UHFFFAOYSA-N 1 0 304.184 2.332 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@]1(C[NH3+])Nc1cccc(Cl)c1 ZINC000087913636 185237408 /nfs/dbraw/zinc/23/74/08/185237408.db2.gz QFVUFGOXGZMESE-CHWSQXEVSA-N 1 0 302.827 2.047 10 0 DEAERO [NH3+]C[C@]1(NCc2cccs2)CCN(Cc2ccccc2)C1 ZINC000087910212 185237428 /nfs/dbraw/zinc/23/74/28/185237428.db2.gz YMGAIXPFBVMMDP-QGZVFWFLSA-N 1 0 301.459 2.441 10 0 DEAERO OC1(CSc2ccc(Br)cn2)CC[NH2+]CC1 ZINC000087970025 185237505 /nfs/dbraw/zinc/23/75/05/185237505.db2.gz UWRAZZWNVBNHFQ-UHFFFAOYSA-N 1 0 303.225 2.051 10 0 DEAERO [NH3+]C[C@H](NC[C@@H]1CCCO1)c1ccc(Br)cc1F ZINC000087928579 185237603 /nfs/dbraw/zinc/23/76/03/185237603.db2.gz FCIKQTIYEWDMAR-GWCFXTLKSA-N 1 0 317.202 2.357 10 0 DEAERO COc1ccc(Br)c(C[C@](C)(C[NH3+])[C@H](C)O)c1 ZINC000087932092 185237641 /nfs/dbraw/zinc/23/76/41/185237641.db2.gz KWXOSLKGYSWIHA-TVQRCGJNSA-N 1 0 302.212 2.346 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)[C@H]1CCOc2ccccc21 ZINC000088020256 185238075 /nfs/dbraw/zinc/23/80/75/185238075.db2.gz XMWGJULCVIIJOA-DZGCQCFKSA-N 1 0 311.447 2.356 10 0 DEAERO CCN(c1cccc2ccccc21)S(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC000088056125 185238156 /nfs/dbraw/zinc/23/81/56/185238156.db2.gz JXJXYSMWKLCIMZ-CQSZACIVSA-N 1 0 304.415 2.358 10 0 DEAERO COc1ccc(Br)c(C[S@@](=O)C[C@H](C)[NH3+])c1 ZINC000088069756 185238574 /nfs/dbraw/zinc/23/85/74/185238574.db2.gz ZICNZYYTURKBEQ-ZKANADHPSA-N 1 0 306.225 2.054 10 0 DEAERO COc1ccc(Br)c(C[C@@H]([NH3+])c2cnccn2)c1 ZINC000087791829 185232308 /nfs/dbraw/zinc/23/23/08/185232308.db2.gz DCMRWEKOJFTQPB-GFCCVEGCSA-N 1 0 308.179 2.490 10 0 DEAERO C[C@@H](CC[NH3+])S(=O)(=O)Cc1sccc1Br ZINC000088088320 185239434 /nfs/dbraw/zinc/23/94/34/185239434.db2.gz JNBWAQMJKYVYLQ-ZETCQYMHSA-N 1 0 312.254 2.163 10 0 DEAERO Nc1nc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2s1 ZINC000087847507 185233506 /nfs/dbraw/zinc/23/35/06/185233506.db2.gz CJAZPXRSHUZOAY-UHFFFAOYSA-N 1 0 304.419 2.094 10 0 DEAERO C[NH2+][C@H](c1cc(Cl)cnc1N)[C@H]1COc2ccccc2O1 ZINC000087859524 185233829 /nfs/dbraw/zinc/23/38/29/185233829.db2.gz HSFAEDOILDYFRR-ZIAGYGMSSA-N 1 0 305.765 2.418 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(Br)s1)[C@H]1COCCO1 ZINC000087857897 185233847 /nfs/dbraw/zinc/23/38/47/185233847.db2.gz MYUSTLBFKXMCJB-GHMZBOCLSA-N 1 0 320.252 2.447 10 0 DEAERO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000176382388 282198979 /nfs/dbraw/zinc/19/89/79/282198979.db2.gz JLMLKQRMSCNLHX-CYBMUJFWSA-N 1 0 305.422 2.062 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000088321272 185245366 /nfs/dbraw/zinc/24/53/66/185245366.db2.gz JGSZCTOYTBPYFH-CYBMUJFWSA-N 1 0 313.195 2.396 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000088321285 185245398 /nfs/dbraw/zinc/24/53/98/185245398.db2.gz ASCNPEKZDVXVAD-LLVKDONJSA-N 1 0 301.184 2.380 10 0 DEAERO C[C@H](C[NH3+])S(=O)(=O)Nc1ccccc1Cc1ccccc1 ZINC000088472175 185252369 /nfs/dbraw/zinc/25/23/69/185252369.db2.gz NEBIRTTYLJWAGA-CYBMUJFWSA-N 1 0 304.415 2.366 10 0 DEAERO CN[C@@](C)(CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000088435228 185249950 /nfs/dbraw/zinc/24/99/50/185249950.db2.gz DBYSJMHAZLFTPH-AAEUAGOBSA-N 1 0 310.360 2.192 10 0 DEAERO [NH3+][C@@](CO)(CN1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000088439722 185250832 /nfs/dbraw/zinc/25/08/32/185250832.db2.gz LLABCQHRDNGTRU-CQSZACIVSA-N 1 0 302.340 2.107 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)C2CCC(C)CC2)o1 ZINC000088544403 185256783 /nfs/dbraw/zinc/25/67/83/185256783.db2.gz DQHLNEIERYQWEC-UHFFFAOYSA-N 1 0 300.424 2.198 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2C)o1 ZINC000088544325 185256956 /nfs/dbraw/zinc/25/69/56/185256956.db2.gz JZCPXINNXLNCFC-AAEUAGOBSA-N 1 0 300.424 2.198 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000278975905 214544444 /nfs/dbraw/zinc/54/44/44/214544444.db2.gz JKYFGQJILZJNLU-RDJZCZTQSA-N 1 0 317.433 2.272 10 0 DEAERO C[C@H]1CCC[C@@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000088539576 185255511 /nfs/dbraw/zinc/25/55/11/185255511.db2.gz GITUKNBNBGBCBB-RYUDHWBXSA-N 1 0 300.424 2.233 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)CC(C)(C)C)o1 ZINC000088540232 185255727 /nfs/dbraw/zinc/25/57/27/185255727.db2.gz PDBPNIVISOZJGW-UHFFFAOYSA-N 1 0 302.440 2.492 10 0 DEAERO CC[NH2+]CCCS(=O)(=O)c1cccc(Br)c1 ZINC000081982886 192348857 /nfs/dbraw/zinc/34/88/57/192348857.db2.gz VZHHQFSSZAUEBI-UHFFFAOYSA-N 1 0 306.225 2.222 10 0 DEAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1S(=O)(=O)CCCOC ZINC000081986419 192348904 /nfs/dbraw/zinc/34/89/04/192348904.db2.gz AUPXOGLPCURXGY-KFWWJZLASA-N 1 0 305.484 2.241 10 0 DEAERO Cc1ccc2c(N)c(C(=O)N(C)C3CC[NH2+]CC3)sc2n1 ZINC000088641318 185260738 /nfs/dbraw/zinc/26/07/38/185260738.db2.gz PFPQTWLYCBREJZ-UHFFFAOYSA-N 1 0 304.419 2.011 10 0 DEAERO Nc1c2cnc3ccccc3c2sc1C(=O)NCCC[NH3+] ZINC000088642909 185261264 /nfs/dbraw/zinc/26/12/64/185261264.db2.gz ZLEUBFWZUBYFNB-UHFFFAOYSA-N 1 0 300.387 2.110 10 0 DEAERO CCOC(=O)[C@@H]1C[NH2+]CCN1[C@@H](C)c1ccc(F)cc1Cl ZINC000088657834 185261805 /nfs/dbraw/zinc/26/18/05/185261805.db2.gz HXHHONOMDVAWLE-HZMBPMFUSA-N 1 0 314.788 2.377 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1cc(N)cc(Br)c1 ZINC000165860249 197682565 /nfs/dbraw/zinc/68/25/65/197682565.db2.gz UXQIDCMRVYCWJD-UHFFFAOYSA-N 1 0 314.227 2.103 10 0 DEAERO COCCCS(=O)(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000081986029 192350005 /nfs/dbraw/zinc/35/00/05/192350005.db2.gz DLTQWHAUQSTCQN-OWCLPIDISA-N 1 0 311.447 2.101 10 0 DEAERO CCC[C@@H](C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000179148303 282216268 /nfs/dbraw/zinc/21/62/68/282216268.db2.gz WSPRYLBDFAPRLW-STQMWFEESA-N 1 0 315.458 2.136 10 0 DEAERO COc1ccc([C@H]([NH3+])CS(=O)(=O)C2CCCC2)cc1OC ZINC000081988888 192350807 /nfs/dbraw/zinc/35/08/07/192350807.db2.gz WJJLPNOVMGMUGY-CYBMUJFWSA-N 1 0 313.419 2.061 10 0 DEAERO COc1ccccc1[S@](=O)[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000081999988 192353196 /nfs/dbraw/zinc/35/31/96/192353196.db2.gz RXOKOHNSMRXOOK-VWKPWSFCSA-N 1 0 303.383 2.264 10 0 DEAERO [NH3+][C@@H](C[S@](=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000082001208 192353293 /nfs/dbraw/zinc/35/32/93/192353293.db2.gz KHSQXXOSPLWHSI-LHSJRXKWSA-N 1 0 303.383 2.265 10 0 DEAERO Cc1nn(C)c(C[NH2+]C[C@@](C)(O)CC(C)C)c1Br ZINC000090272297 185288665 /nfs/dbraw/zinc/28/86/65/185288665.db2.gz WRZXWBQTXOPPOH-ZDUSSCGKSA-N 1 0 318.259 2.378 10 0 DEAERO C[NH2+]Cc1cn(-c2c(F)cc(F)cc2Br)nn1 ZINC000090299777 185289992 /nfs/dbraw/zinc/28/99/92/185289992.db2.gz DIAGWKBGANKSRN-UHFFFAOYSA-N 1 0 303.110 2.027 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)c1ccc(Br)o1 ZINC000090336302 185291510 /nfs/dbraw/zinc/29/15/10/185291510.db2.gz UJWZPCNBSBMOLU-IUCAKERBSA-N 1 0 313.195 2.112 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1noc(-c2ccsc2)n1 ZINC000090332809 185291586 /nfs/dbraw/zinc/29/15/86/185291586.db2.gz NWBMMZDKXWRTEW-FRRDWIJNSA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000090335503 185291680 /nfs/dbraw/zinc/29/16/80/185291680.db2.gz ZXFDLSZONKZOQU-HTQZYQBOSA-N 1 0 302.205 2.392 10 0 DEAERO CCCSc1nsc(NC(=O)CSCC[C@H](C)[NH3+])n1 ZINC000090346385 185292183 /nfs/dbraw/zinc/29/21/83/185292183.db2.gz XWNHNPSNVDQWPD-QMMMGPOBSA-N 1 0 320.509 2.449 10 0 DEAERO CN(Cc1cccc(Br)c1)[C@@H](C[NH3+])c1cncn1C ZINC000090167505 185284708 /nfs/dbraw/zinc/28/47/08/185284708.db2.gz CXOVHQFLZUCRKG-ZDUSSCGKSA-N 1 0 323.238 2.314 10 0 DEAERO CC[C@@H]([NH3+])Cc1cccc(Cl)c1OCCS(=O)(=O)CC ZINC000166258929 197690401 /nfs/dbraw/zinc/69/04/01/197690401.db2.gz GOQYMYOOICQYNE-GFCCVEGCSA-N 1 0 319.854 2.433 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1ccccc1SCC(F)(F)F ZINC000090380238 185293419 /nfs/dbraw/zinc/29/34/19/185293419.db2.gz KGWLQTZXUIXIEL-RKDXNWHRSA-N 1 0 320.336 2.253 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000090431446 185295843 /nfs/dbraw/zinc/29/58/43/185295843.db2.gz GATUYKIZHZQVSK-PSASIEDQSA-N 1 0 303.189 2.475 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000090434549 185296089 /nfs/dbraw/zinc/29/60/89/185296089.db2.gz NMMRCPIVAFGNPA-GXFFZTMASA-N 1 0 317.216 2.186 10 0 DEAERO CCCOc1ccc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])cc1Cl ZINC000090590087 185305512 /nfs/dbraw/zinc/30/55/12/185305512.db2.gz GZGIEFHJYZSYQN-UKRRQHHQSA-N 1 0 312.797 2.431 10 0 DEAERO C[C@]1(C(=O)Nc2cc(C(F)(F)F)ccc2F)COC[C@@H]1[NH3+] ZINC000090603845 185305974 /nfs/dbraw/zinc/30/59/74/185305974.db2.gz CCIWZXJILSMFFM-JQWIXIFHSA-N 1 0 306.259 2.147 10 0 DEAERO Cc1ccc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])cc1Br ZINC000090604363 185306165 /nfs/dbraw/zinc/30/61/65/185306165.db2.gz TZDPEWYBLHCDHA-YPMHNXCESA-N 1 0 313.195 2.060 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(F)c(F)c1F ZINC000090538598 185301762 /nfs/dbraw/zinc/30/17/62/185301762.db2.gz JHXSYTJGBXASJF-GZMMTYOYSA-N 1 0 302.296 2.057 10 0 DEAERO CC[C@@H]([NH3+])C[S@](=O)CCOc1ccc(Br)cc1 ZINC000166715513 197698042 /nfs/dbraw/zinc/69/80/42/197698042.db2.gz XBCNUBFKNHFZAB-DIFFPNOSSA-N 1 0 320.252 2.314 10 0 DEAERO C[C@@]1(c2nc(-c3ccccc3Br)no2)COC[C@H]1[NH3+] ZINC000090573565 185304462 /nfs/dbraw/zinc/30/44/62/185304462.db2.gz OJEOYUVIUKZKHG-ZWNOBZJWSA-N 1 0 324.178 2.114 10 0 DEAERO C[C@]1(C(=O)NCCc2ccc(Cl)cc2Cl)COC[C@H]1[NH3+] ZINC000090581432 185304848 /nfs/dbraw/zinc/30/48/48/185304848.db2.gz NWVKHHIVDMNWJV-OCCSQVGLSA-N 1 0 317.216 2.016 10 0 DEAERO O=C(c1ccno1)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000090701136 185310415 /nfs/dbraw/zinc/31/04/15/185310415.db2.gz QEJPAOOOCDMYHG-ZDUSSCGKSA-N 1 0 309.435 2.108 10 0 DEAERO CC[C@H](C)S(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C ZINC000092388629 185315211 /nfs/dbraw/zinc/31/52/11/185315211.db2.gz NBWWPRGSXZRZGX-XZJROXQQSA-N 1 0 311.447 2.484 10 0 DEAERO Cc1nc(NC(=O)C[NH2+]C(C)(C)C)ccc1Br ZINC000092461642 185320256 /nfs/dbraw/zinc/32/02/56/185320256.db2.gz VFRVVVLBBIYCFB-UHFFFAOYSA-N 1 0 300.200 2.479 10 0 DEAERO CCOCCN1CC[N@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1C ZINC000182341670 282238173 /nfs/dbraw/zinc/23/81/73/282238173.db2.gz KFYKMZBYYAGOED-PKOBYXMFSA-N 1 0 320.477 2.023 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(-n2cnc(C(=O)OC)n2)c(Cl)c1 ZINC000167394599 197708140 /nfs/dbraw/zinc/70/81/40/197708140.db2.gz TWROJIAFBWLJAI-VIFPVBQESA-N 1 0 308.769 2.378 10 0 DEAERO Cc1cc(C[NH+]2CCC(n3cncn3)CC2)ccc1-n1cncn1 ZINC000092647598 185331420 /nfs/dbraw/zinc/33/14/20/185331420.db2.gz DPBWIECEWWWPAJ-UHFFFAOYSA-N 1 0 323.404 2.004 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)c1nccs1 ZINC000184257713 282249855 /nfs/dbraw/zinc/24/98/55/282249855.db2.gz HOMWXXRQEMWRFJ-OLZOCXBDSA-N 1 0 310.467 2.372 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(F)cc1C(N)=S ZINC000092629057 185330154 /nfs/dbraw/zinc/33/01/54/185330154.db2.gz CKXWNVAGRUCRDF-AWEZNQCLSA-N 1 0 309.454 2.376 10 0 DEAERO CN(C[C@H]1CCC[N@@H+]1C)c1cc2c(cc1Cl)C(=O)C(=O)N2 ZINC000092772787 185339734 /nfs/dbraw/zinc/33/97/34/185339734.db2.gz JOIVLQIQBGPFFD-SECBINFHSA-N 1 0 307.781 2.005 10 0 DEAERO Cc1ncsc1CCOC[C@@H](O)C[NH2+]C1C(C)(C)C1(C)C ZINC000092816899 185343760 /nfs/dbraw/zinc/34/37/60/185343760.db2.gz WCLXMERRRRRZJE-LBPRGKRZSA-N 1 0 312.479 2.396 10 0 DEAERO CN(C)S(=O)(=O)c1ccc(C[NH2+]C2C(C)(C)C2(C)C)o1 ZINC000092815762 185343761 /nfs/dbraw/zinc/34/37/61/185343761.db2.gz BRPGNONOWVACQF-UHFFFAOYSA-N 1 0 300.424 2.054 10 0 DEAERO Cc1cc(S(=O)(=O)NCC2C(C)(C)C2(C)C)sc1C[NH3+] ZINC000092833177 185344857 /nfs/dbraw/zinc/34/48/57/185344857.db2.gz YAIRBPCKTJJDLS-UHFFFAOYSA-N 1 0 316.492 2.476 10 0 DEAERO CC[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)CC(C)C ZINC000092859166 185347002 /nfs/dbraw/zinc/34/70/02/185347002.db2.gz XHOLFISYNAUKNT-CVEARBPZSA-N 1 0 311.447 2.341 10 0 DEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000092953376 185350389 /nfs/dbraw/zinc/35/03/89/185350389.db2.gz UPBLCABWXJUTLS-JQWIXIFHSA-N 1 0 304.781 2.462 10 0 DEAERO CCCN(CC[C@](O)(C[NH3+])c1ccccc1)CC(F)(F)F ZINC000168482753 197724200 /nfs/dbraw/zinc/72/42/00/197724200.db2.gz WEWLNMRFOAOBTO-AWEZNQCLSA-N 1 0 304.356 2.497 10 0 DEAERO CC[C@@H](CSC)N(C)S(=O)(=O)c1cc(C[NH3+])sc1C ZINC000168552464 197725352 /nfs/dbraw/zinc/72/53/52/197725352.db2.gz XDEBHOHQCDNBNS-JTQLQIEISA-N 1 0 322.521 2.277 10 0 DEAERO [NH3+]CCOc1ccc(NC(=O)CSCC(F)(F)F)cc1 ZINC000181429768 199295495 /nfs/dbraw/zinc/29/54/95/199295495.db2.gz VPBPTHPGGMRFTD-UHFFFAOYSA-N 1 0 308.325 2.258 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)[C@H]1CCCCS1(=O)=O ZINC000168601856 197725456 /nfs/dbraw/zinc/72/54/56/197725456.db2.gz PSPZQYYMQSYBCK-UONOGXRCSA-N 1 0 301.839 2.438 10 0 DEAERO C[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)CC1(CO)CC1 ZINC000186784053 282283952 /nfs/dbraw/zinc/28/39/52/282283952.db2.gz CWCPOSCWNQEZOF-QGZVFWFLSA-N 1 0 305.418 2.449 10 0 DEAERO CC(C)[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000181612295 199327328 /nfs/dbraw/zinc/32/73/28/199327328.db2.gz VNPWPJHDEZEANG-AWEZNQCLSA-N 1 0 320.405 2.191 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2nnc(-c3ccccc3)n2C)C1 ZINC000187898861 282294422 /nfs/dbraw/zinc/29/44/22/282294422.db2.gz ULFMXWMLGQHMGP-RDTXWAMCSA-N 1 0 314.433 2.465 10 0 DEAERO COC[C@H]([NH2+]Cc1cn2c(cccc2C)n1)C1CCOCC1 ZINC000187992337 282294720 /nfs/dbraw/zinc/29/47/20/282294720.db2.gz XDSJGOPERARNKG-INIZCTEOSA-N 1 0 303.406 2.174 10 0 DEAERO CC[NH+](CC)CCNC(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000188395820 282299214 /nfs/dbraw/zinc/29/92/14/282299214.db2.gz QKVIEAUZVZQYBD-UHFFFAOYSA-N 1 0 307.438 2.193 10 0 DEAERO C[NH+](C)CC[C@H](NC(=O)c1cn2ccnc2s1)C(C)(C)C ZINC000188513533 282303476 /nfs/dbraw/zinc/30/34/76/282303476.db2.gz VJDPCKYJQSICKM-LBPRGKRZSA-N 1 0 308.451 2.492 10 0 DEAERO CCCCCOCC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000193334699 282347796 /nfs/dbraw/zinc/34/77/96/282347796.db2.gz NMXBBMIWKHTNJG-UHFFFAOYSA-N 1 0 317.393 2.076 10 0 DEAERO C[NH2+]C[C@H]1CC[C@@H](Cn2nc(C)c(Br)c2C)O1 ZINC000052573693 190683207 /nfs/dbraw/zinc/68/32/07/190683207.db2.gz ZPDLTTNVERTGPS-MNOVXSKESA-N 1 0 302.216 2.029 10 0 DEAERO Cc1cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(C)s1 ZINC000193851833 282359595 /nfs/dbraw/zinc/35/95/95/282359595.db2.gz PQIGNPPBRYKUSD-UHFFFAOYSA-N 1 0 304.481 2.231 10 0 DEAERO O=C1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C(=O)N1C1CCCC1 ZINC000107448654 185480924 /nfs/dbraw/zinc/48/09/24/185480924.db2.gz PDBHBODSFBARAI-CQSZACIVSA-N 1 0 306.793 2.500 10 0 DEAERO CCc1nnc(CN2CC[C@@H](CNc3cccc(C)[nH+]3)C2)[nH]1 ZINC000181713022 199342430 /nfs/dbraw/zinc/34/24/30/199342430.db2.gz UTULSFXUANQNTR-ZDUSSCGKSA-N 1 0 300.410 2.005 10 0 DEAERO CCO[C@H](C)c1noc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)n1 ZINC000245419499 282386123 /nfs/dbraw/zinc/38/61/23/282386123.db2.gz HBTCZFACQDWLMQ-MJBXVCDLSA-N 1 0 310.442 2.329 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000122598750 539462474 /nfs/dbraw/zinc/46/24/74/539462474.db2.gz XJBXRMBMWQGPCQ-RISCZKNCSA-N 1 0 303.410 2.204 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000245825130 282407172 /nfs/dbraw/zinc/40/71/72/282407172.db2.gz ASKRJWORDKNNQA-WMLDXEAASA-N 1 0 322.474 2.399 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000111373878 185590072 /nfs/dbraw/zinc/59/00/72/185590072.db2.gz UXSXYJYLASNMDZ-NHYWBVRUSA-N 1 0 314.426 2.320 10 0 DEAERO CC[C@@H]([NH3+])Cc1c(Sc2cnn(C)c2)nc2ccccn21 ZINC000111588901 185615735 /nfs/dbraw/zinc/61/57/35/185615735.db2.gz BFADXMVLORHUCQ-LLVKDONJSA-N 1 0 301.419 2.499 10 0 DEAERO [NH3+]CCc1c(Sc2nnc3ccccn32)nc2sccn12 ZINC000111586469 185614649 /nfs/dbraw/zinc/61/46/49/185614649.db2.gz WOLZOCDBDAFTLH-UHFFFAOYSA-N 1 0 316.415 2.091 10 0 DEAERO CN(C(=O)c1ccc(Br)cn1)[C@H]1CCC[NH2+]CC1 ZINC000231491469 201886978 /nfs/dbraw/zinc/88/69/78/201886978.db2.gz IBUZIIVFYDIENK-NSHDSACASA-N 1 0 312.211 2.058 10 0 DEAERO CC(C)[NH2+]CC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000111721549 185631808 /nfs/dbraw/zinc/63/18/08/185631808.db2.gz ZDARKQWBPWCIBV-UHFFFAOYSA-N 1 0 310.463 2.226 10 0 DEAERO O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCC[NH2+]C1CC1 ZINC000151587430 539529086 /nfs/dbraw/zinc/52/90/86/539529086.db2.gz CGYQFXGJMPRAAX-UHFFFAOYSA-N 1 0 314.429 2.397 10 0 DEAERO [NH3+]C1CCC(OCCNC(=O)c2ccc(F)cc2Cl)CC1 ZINC000111790585 185637214 /nfs/dbraw/zinc/63/72/14/185637214.db2.gz RQNHKDKXGZFEKS-UHFFFAOYSA-N 1 0 314.788 2.495 10 0 DEAERO C[C@H]1CCN(CC(=O)Nc2ccc(F)cc2Cl)[C@@H](C[NH3+])C1 ZINC000235631130 201918684 /nfs/dbraw/zinc/91/86/84/201918684.db2.gz JJZOZQKPKZNNLA-CMPLNLGQSA-N 1 0 313.804 2.477 10 0 DEAERO CC(=O)Nc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000181987708 199371481 /nfs/dbraw/zinc/37/14/81/199371481.db2.gz QVFLABPYUKXXRH-KDOFPFPSSA-N 1 0 319.449 2.142 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000291663586 404468392 /nfs/dbraw/zinc/46/83/92/404468392.db2.gz FKSLWNBMVIKCFF-KSZLIROESA-N 1 0 324.428 2.374 10 0 DEAERO CNC(=O)CCCOc1c(Cl)cc(C[C@@H](C)[NH3+])cc1OC ZINC000068820114 190785211 /nfs/dbraw/zinc/78/52/11/190785211.db2.gz FKQGQKOMJBNDSO-SNVBAGLBSA-N 1 0 314.813 2.143 10 0 DEAERO Cn1nccc1[C@H]1[C@H]([NH2+]C2CC3(CCC3)C2)CC(=O)N1C1CC1 ZINC000333814039 282970925 /nfs/dbraw/zinc/97/09/25/282970925.db2.gz HLICKXUQBOIFNS-RHSMWYFYSA-N 1 0 314.433 2.147 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCOC[C@H]1C)c1ccco1 ZINC000248849409 282532706 /nfs/dbraw/zinc/53/27/06/282532706.db2.gz VSGGPKLBFJYGLZ-QLFBSQMISA-N 1 0 308.422 2.451 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N[C@H]1CCCOc2c(F)cccc21 ZINC000333817089 282972077 /nfs/dbraw/zinc/97/20/77/282972077.db2.gz QNQBZAAROCCABI-WFASDCNBSA-N 1 0 321.396 2.481 10 0 DEAERO [NH3+][C@H](Cc1cc(F)ccc1Cl)[C@H]1CCCCS1(=O)=O ZINC000126605500 185878475 /nfs/dbraw/zinc/87/84/75/185878475.db2.gz ANRZDCSVOHVAKR-CHWSQXEVSA-N 1 0 305.802 2.316 10 0 DEAERO COC(=O)c1ccc(F)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000182007905 199373459 /nfs/dbraw/zinc/37/34/59/199373459.db2.gz QBMNKZUANCVHEZ-OAHLLOKOSA-N 1 0 306.381 2.282 10 0 DEAERO CC(C)([NH3+])c1cn(Cc2ccc(F)c(Br)c2)nn1 ZINC000070118587 190858822 /nfs/dbraw/zinc/85/88/22/190858822.db2.gz VAMUFIRSWQTTQH-UHFFFAOYSA-N 1 0 313.174 2.422 10 0 DEAERO C[C@H]1CCN(C(=O)c2cc(Br)ccc2F)C[C@@H]1[NH3+] ZINC000070145164 190862710 /nfs/dbraw/zinc/86/27/10/190862710.db2.gz VMSVKMQHXUFZLZ-UFBFGSQYSA-N 1 0 315.186 2.398 10 0 DEAERO C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)[C@@H]1C[NH3+] ZINC000070177338 190868001 /nfs/dbraw/zinc/86/80/01/190868001.db2.gz DRTGQCNPQXTKJK-JOYOIKCWSA-N 1 0 320.817 2.227 10 0 DEAERO CCc1ccc(CN2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)s1 ZINC000167350611 539611356 /nfs/dbraw/zinc/61/13/56/539611356.db2.gz UFIHGGXHAZNHFO-CVEARBPZSA-N 1 0 321.490 2.082 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](Nc2ccccn2)C1 ZINC000616620091 362899210 /nfs/dbraw/zinc/89/92/10/362899210.db2.gz FJYIIKNRAMPLDJ-AWEZNQCLSA-N 1 0 320.437 2.483 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2cccnc2N)C1 ZINC000616622043 362899484 /nfs/dbraw/zinc/89/94/84/362899484.db2.gz ZLJVHQPNYULEJB-ZDUSSCGKSA-N 1 0 320.437 2.368 10 0 DEAERO CC(C)(C)OC(=O)NCC[C@@H]1CNc2ccccc2N1CC[NH3+] ZINC000616683839 362908878 /nfs/dbraw/zinc/90/88/78/362908878.db2.gz JUHLHGLTKUCTNF-CYBMUJFWSA-N 1 0 320.437 2.161 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2cnno2)CC1 ZINC000616626682 362900542 /nfs/dbraw/zinc/90/05/42/362900542.db2.gz DASKZTVIJMFXAX-GFCCVEGCSA-N 1 0 310.398 2.164 10 0 DEAERO Cc1cccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c1Cl ZINC000180175820 539643886 /nfs/dbraw/zinc/64/38/86/539643886.db2.gz AUIPJIYZVIHMQX-UHFFFAOYSA-N 1 0 316.854 2.363 10 0 DEAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000180000019 539642946 /nfs/dbraw/zinc/64/29/46/539642946.db2.gz RHVXPZHJLUVCRU-CYBMUJFWSA-N 1 0 303.410 2.129 10 0 DEAERO CCN(C[C@H]1CC[N@H+](Cc2cncnc2)C1)CC(F)(F)F ZINC000180046535 539644450 /nfs/dbraw/zinc/64/44/50/539644450.db2.gz BMMVYWSKAZKOAG-GFCCVEGCSA-N 1 0 302.344 2.183 10 0 DEAERO CCc1nn(C)cc1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000180285082 539644939 /nfs/dbraw/zinc/64/49/39/539644939.db2.gz JVSQKCQBRPQDBB-KRWDZBQOSA-N 1 0 301.390 2.262 10 0 DEAERO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000180477307 539645793 /nfs/dbraw/zinc/64/57/93/539645793.db2.gz UFCKTVFMDCZQAE-QLFBSQMISA-N 1 0 304.500 2.365 10 0 DEAERO CCCCOCCOCCOCCOC(C)(C)C[NH2+]CC ZINC000127093366 185917295 /nfs/dbraw/zinc/91/72/95/185917295.db2.gz OUZYVOWCQKVHBM-UHFFFAOYSA-N 1 0 305.459 2.241 10 0 DEAERO CN(CC[NH+](C)C)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000080394686 192155101 /nfs/dbraw/zinc/15/51/01/192155101.db2.gz DGBKFQGMYUGCNO-UHFFFAOYSA-N 1 0 304.312 2.148 10 0 DEAERO c1cc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)n(-c2ccccc2)n1 ZINC000279894026 215213245 /nfs/dbraw/zinc/21/32/45/215213245.db2.gz SWZRZRWLZYPPRO-INIZCTEOSA-N 1 0 322.416 2.376 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccccc3C)C2=O)n(C)n1 ZINC000080526658 192165084 /nfs/dbraw/zinc/16/50/84/192165084.db2.gz WRUNKYJXKZJEDP-INIZCTEOSA-N 1 0 312.417 2.322 10 0 DEAERO Ic1cnn(CCC[C@@H]2CCC[NH2+]2)c1 ZINC000070677718 190910918 /nfs/dbraw/zinc/91/09/18/190910918.db2.gz HLFDYLFTCCGTQS-JTQLQIEISA-N 1 0 305.163 2.020 10 0 DEAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)CC[NH3+] ZINC000130087572 185935024 /nfs/dbraw/zinc/93/50/24/185935024.db2.gz IXCVXBONJAMCEN-WDEREUQCSA-N 1 0 313.239 2.481 10 0 DEAERO COc1ccc(OC)c([C@@H](C)NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000185259104 539670910 /nfs/dbraw/zinc/67/09/10/539670910.db2.gz HRKUDSCYGNHXPD-CYBMUJFWSA-N 1 0 323.437 2.358 10 0 DEAERO Cc1cc(Br)c([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)s1 ZINC000083677989 192378660 /nfs/dbraw/zinc/37/86/60/192378660.db2.gz NZEVHZNIEHTOPZ-CBAPKCEASA-N 1 0 324.265 2.254 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCOC2(C1)CCCCCC2 ZINC000333834554 282977223 /nfs/dbraw/zinc/97/72/23/282977223.db2.gz NDPBNMKWWHGVDP-HNNXBMFYSA-N 1 0 309.454 2.263 10 0 DEAERO [NH3+]C[C@H](NC[C@@H]1CCCO1)c1ccc(Br)s1 ZINC000083774172 192383147 /nfs/dbraw/zinc/38/31/47/192383147.db2.gz KMQFJYVDTSCPCA-IUCAKERBSA-N 1 0 305.241 2.279 10 0 DEAERO Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccn1C ZINC000194957919 539719557 /nfs/dbraw/zinc/71/95/57/539719557.db2.gz WDSXQYXCRQSLPG-HNNXBMFYSA-N 1 0 301.390 2.493 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC([NH+](C)C)CC1 ZINC000193822350 539715262 /nfs/dbraw/zinc/71/52/62/539715262.db2.gz OMQKCDURNDSCTI-NSHDSACASA-N 1 0 311.376 2.318 10 0 DEAERO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(-c2ncon2)cc1 ZINC000236707897 201975886 /nfs/dbraw/zinc/97/58/86/201975886.db2.gz UXWWDWFACSWINJ-INIZCTEOSA-N 1 0 302.378 2.230 10 0 DEAERO CCN(Cc1ccc(Br)s1)C(=O)C1([NH3+])CC1 ZINC000083834773 192385195 /nfs/dbraw/zinc/38/51/95/192385195.db2.gz RPUROPFLDPBYGA-UHFFFAOYSA-N 1 0 303.225 2.350 10 0 DEAERO CN1C(=O)C[C@H]([NH2+]C2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000090968720 282644813 /nfs/dbraw/zinc/64/48/13/282644813.db2.gz KSXRWEXNXLDGCC-HOCLYGCPSA-N 1 0 308.809 2.380 10 0 DEAERO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cccc2ccccc21 ZINC000083995960 192395490 /nfs/dbraw/zinc/39/54/90/192395490.db2.gz OSHIXTOWYMEVCK-ZDUSSCGKSA-N 1 0 306.431 2.458 10 0 DEAERO C[NH2+][C@@H](C[S@@](=O)CCOC)c1cccc(C(F)(F)F)c1 ZINC000084035321 192396613 /nfs/dbraw/zinc/39/66/13/192396613.db2.gz XKZWKIMUXBNGGO-FKIZINRSSA-N 1 0 309.353 2.361 10 0 DEAERO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000214924239 539725827 /nfs/dbraw/zinc/72/58/27/539725827.db2.gz JOIYDKINZXKQBU-OLZOCXBDSA-N 1 0 300.424 2.231 10 0 DEAERO CCn1ncc(Br)c1[C@](C)(O)C[C@@H]1CCCC[NH2+]1 ZINC000133367536 185977966 /nfs/dbraw/zinc/97/79/66/185977966.db2.gz MPKQYWNVKIZBBE-GXFFZTMASA-N 1 0 316.243 2.405 10 0 DEAERO CS(=O)(=O)c1cccc([C@@H]([NH3+])c2cccc3c2OCC3)c1 ZINC000133388851 185979816 /nfs/dbraw/zinc/97/98/16/185979816.db2.gz LGIXXSFUTYTPKO-OAHLLOKOSA-N 1 0 303.383 2.073 10 0 DEAERO CC[NH+]1CCN([C@H](C)c2nc3cc(OC)c(OC)cc3[nH]2)CC1 ZINC000071665219 191001240 /nfs/dbraw/zinc/00/12/40/191001240.db2.gz WIRVWUZIROKALK-GFCCVEGCSA-N 1 0 318.421 2.279 10 0 DEAERO [NH3+]CCc1nc(CC(=O)Nc2cc(Cl)ccc2O)cs1 ZINC000071695893 191009051 /nfs/dbraw/zinc/00/90/51/191009051.db2.gz PKPKTYZUQXULMM-UHFFFAOYSA-N 1 0 311.794 2.185 10 0 DEAERO CC[NH+](CC)CCCNC(=O)c1ccc2nc(N)sc2c1 ZINC000071698120 191010051 /nfs/dbraw/zinc/01/00/51/191010051.db2.gz OCVBTNWCBUMZJV-UHFFFAOYSA-N 1 0 306.435 2.340 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CC[C@H](NC(=O)OC)C1 ZINC000133634696 186001827 /nfs/dbraw/zinc/00/18/27/186001827.db2.gz PUINNKDGSSLNKY-SGMGOOAPSA-N 1 0 311.451 2.265 10 0 DEAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCCCSC)c1 ZINC000133664752 186004905 /nfs/dbraw/zinc/00/49/05/186004905.db2.gz NZDSRLBJMVARFU-LBPRGKRZSA-N 1 0 316.492 2.389 10 0 DEAERO CS(=O)(=O)Nc1ccc(N[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000133719175 186009547 /nfs/dbraw/zinc/00/95/47/186009547.db2.gz JJTWEXQKYUCMNS-JTQLQIEISA-N 1 0 317.842 2.266 10 0 DEAERO CC(C)[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)C(C)C)c1 ZINC000138333812 186015941 /nfs/dbraw/zinc/01/59/41/186015941.db2.gz GCOVXKXHORKELB-UHFFFAOYSA-N 1 0 320.405 2.492 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)C1(C[NH3+])CCC1 ZINC000138775590 186018909 /nfs/dbraw/zinc/01/89/09/186018909.db2.gz RLAMOARHZDYJHM-UHFFFAOYSA-N 1 0 301.184 2.130 10 0 DEAERO CC[C@H](CC[NH3+])CCc1nc2c(cccc2S(C)(=O)=O)[nH]1 ZINC000138168010 186014260 /nfs/dbraw/zinc/01/42/60/186014260.db2.gz LOWYTEHLLSILRZ-NSHDSACASA-N 1 0 309.435 2.274 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)NC2CC(C)C2)c1 ZINC000139302727 186021475 /nfs/dbraw/zinc/02/14/75/186021475.db2.gz HMHCVCBHPIMJKN-UHFFFAOYSA-N 1 0 318.389 2.151 10 0 DEAERO C[C@@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ncc[nH]1 ZINC000139457237 186022385 /nfs/dbraw/zinc/02/23/85/186022385.db2.gz ASNUFTMHZTYVSB-ZCFIWIBFSA-N 1 0 321.189 2.151 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](c2nc(-c3ncccc3Br)no2)C1 ZINC000139861580 186024493 /nfs/dbraw/zinc/02/44/93/186024493.db2.gz RVLVNFWHCKNLHN-JGVFFNPUSA-N 1 0 307.151 2.265 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2Cc3ccccc32)C1 ZINC000247288860 539768919 /nfs/dbraw/zinc/76/89/19/539768919.db2.gz KSCUQYAWOCRWBS-UKPHBRMFSA-N 1 0 301.434 2.354 10 0 DEAERO CC[C@@H]1N[C@@H](c2ccc(C)s2)N(C2CC[NH+](C)CC2)C1=O ZINC000141225885 186029312 /nfs/dbraw/zinc/02/93/12/186029312.db2.gz KKJKQLZNIJYCJU-DZGCQCFKSA-N 1 0 307.463 2.360 10 0 DEAERO CCNc1ncc(Br)c(OCCC[NH+](C)C)n1 ZINC000148032807 186042362 /nfs/dbraw/zinc/04/23/62/186042362.db2.gz KKZPIOIOJMGUDD-UHFFFAOYSA-N 1 0 303.204 2.001 10 0 DEAERO Nc1cc(Br)cc(C[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000148010439 186042782 /nfs/dbraw/zinc/04/27/82/186042782.db2.gz LHJWGTSRVZYCQI-CYBMUJFWSA-N 1 0 310.239 2.358 10 0 DEAERO CCC[NH2+]Cc1cc(S(=O)(=O)NCC(F)F)cn1C(C)C ZINC000148182451 186043746 /nfs/dbraw/zinc/04/37/46/186043746.db2.gz LSGXFYJILVHWFQ-UHFFFAOYSA-N 1 0 323.409 2.112 10 0 DEAERO CCc1cc(Br)ccc1NC[C@H](O)C[NH+](C)C ZINC000148292994 186043835 /nfs/dbraw/zinc/04/38/35/186043835.db2.gz JQUXWDDUUVMXHP-LBPRGKRZSA-N 1 0 301.228 2.346 10 0 DEAERO C[N@@H+]1CCC[C@@H](CN2C(=O)C3(CC3)N[C@H]2c2cccs2)C1 ZINC000144250383 186034924 /nfs/dbraw/zinc/03/49/24/186034924.db2.gz RCIKQPDPMDUNPY-TZMCWYRMSA-N 1 0 305.447 2.053 10 0 DEAERO CC[NH2+]Cc1cc(F)c(C)c(S(=O)(=O)N(C)C2CCC2)c1 ZINC000144613091 186036046 /nfs/dbraw/zinc/03/60/46/186036046.db2.gz XDWOUHVQHQUZBQ-UHFFFAOYSA-N 1 0 314.426 2.417 10 0 DEAERO CC[NH+](CC)C[C@@H](C)N1C(=O)C2(CC2)N[C@H]1c1cccs1 ZINC000145144736 186036870 /nfs/dbraw/zinc/03/68/70/186036870.db2.gz OYYACAUCUCVFNP-TZMCWYRMSA-N 1 0 307.463 2.441 10 0 DEAERO [NH3+][C@H](c1sccc1Br)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000147273857 186038894 /nfs/dbraw/zinc/03/88/94/186038894.db2.gz DLTZADOBQMPTED-MIMYLULJSA-N 1 0 317.252 2.374 10 0 DEAERO CC[NH2+]C[C@@H](Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000149007223 186047007 /nfs/dbraw/zinc/04/70/07/186047007.db2.gz OCIKVHPIGVVDFN-CHWSQXEVSA-N 1 0 317.401 2.168 10 0 DEAERO C[NH2+][C@@H](C)[C@H]1CCCCN1S(=O)(=O)CCc1ccccc1 ZINC000149260163 186048195 /nfs/dbraw/zinc/04/81/95/186048195.db2.gz HZGQQQBWAMHZCX-GOEBONIOSA-N 1 0 310.463 2.021 10 0 DEAERO C[C@H](CS(=O)(=O)NC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000149263289 186048285 /nfs/dbraw/zinc/04/82/85/186048285.db2.gz VBKUFOSWHVUGDB-CQSZACIVSA-N 1 0 310.463 2.371 10 0 DEAERO C[NH2+][C@@H](Cc1cn2ccsc2n1)Cc1ccc(OC)nc1 ZINC000149255528 186048627 /nfs/dbraw/zinc/04/86/27/186048627.db2.gz WQYUZSATTUESRP-GFCCVEGCSA-N 1 0 302.403 2.173 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC(C)(C)C2)o1 ZINC000149311243 186049315 /nfs/dbraw/zinc/04/93/15/186049315.db2.gz IPEONYVEFKGNKW-NSHDSACASA-N 1 0 300.424 2.246 10 0 DEAERO CCc1nn(CC)c(C[NH2+][C@@H]2CCO[C@H]2C)c1Br ZINC000149660151 186051587 /nfs/dbraw/zinc/05/15/87/186051587.db2.gz ASSIPMXSJXJEEO-GXSJLCMTSA-N 1 0 316.243 2.495 10 0 DEAERO C[C@@H](O)[C@](C[NH3+])(Cc1cn2ccsc2n1)c1ccccc1 ZINC000149588256 186051594 /nfs/dbraw/zinc/05/15/94/186051594.db2.gz UVGUAZDFCLVMAZ-MLGOLLRUSA-N 1 0 301.415 2.216 10 0 DEAERO CCC[NH2+][C@H](C)c1sc(C[C@H]2CN(C)CCN2C)nc1C ZINC000149766673 186052507 /nfs/dbraw/zinc/05/25/07/186052507.db2.gz FQOZVTDDZUXSIL-OCCSQVGLSA-N 1 0 310.511 2.300 10 0 DEAERO CCC[NH2+]C[C@H](C)S(=O)(=O)NCCCCC(F)(F)F ZINC000149992552 186053915 /nfs/dbraw/zinc/05/39/15/186053915.db2.gz DBDHNGDSNPTETQ-JTQLQIEISA-N 1 0 304.378 2.027 10 0 DEAERO C[C@H]([NH3+])c1cc(Br)ccc1OCc1nncn1C ZINC000150046701 186054097 /nfs/dbraw/zinc/05/40/97/186054097.db2.gz CTGWSTJHBWRZKH-QMMMGPOBSA-N 1 0 311.183 2.176 10 0 DEAERO CCc1nn(CC)c(C[C@](O)(C[NH3+])C(C)C)c1Br ZINC000150079203 186054991 /nfs/dbraw/zinc/05/49/91/186054991.db2.gz RUDUAABFVTYTJT-ZDUSSCGKSA-N 1 0 318.259 2.116 10 0 DEAERO CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333838474 282979119 /nfs/dbraw/zinc/97/91/19/282979119.db2.gz NUALBAZMDVRBML-HUUCEWRRSA-N 1 0 319.453 2.282 10 0 DEAERO c1nc(-c2noc([C@@H]3CCCN3C3CC[NH2+]CC3)n2)cs1 ZINC000150244664 186056060 /nfs/dbraw/zinc/05/60/60/186056060.db2.gz AKOYRAHPGXHPDC-LBPRGKRZSA-N 1 0 305.407 2.082 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1Oc2ccccc2[C@@H]1C ZINC000261873217 539787818 /nfs/dbraw/zinc/78/78/18/539787818.db2.gz YDEOUCJWICWQFK-SCYMPEOESA-N 1 0 302.418 2.431 10 0 DEAERO COc1ccc2nc(C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])ccc2c1 ZINC000261840288 539787844 /nfs/dbraw/zinc/78/78/44/539787844.db2.gz PLZMIBVYBUCNOI-OCCSQVGLSA-N 1 0 313.401 2.443 10 0 DEAERO COc1ccc(CCC(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1OC ZINC000155688995 186103089 /nfs/dbraw/zinc/10/30/89/186103089.db2.gz TYLPPMGMLCGXDL-ZIAGYGMSSA-N 1 0 320.433 2.187 10 0 DEAERO CCCNC(=O)CN(C)c1ccc(C(F)(F)F)c(C[NH3+])c1 ZINC000163968533 186144358 /nfs/dbraw/zinc/14/43/58/186144358.db2.gz JLONIFPKRRYCHS-UHFFFAOYSA-N 1 0 303.328 2.127 10 0 DEAERO [NH3+]C[C@H](Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000163983589 186144874 /nfs/dbraw/zinc/14/48/74/186144874.db2.gz ODIJJSSYLVUDNR-QWRGUYRKSA-N 1 0 305.802 2.031 10 0 DEAERO CC[NH2+]Cc1cn(CCS(C)(=O)=O)c2cc(Cl)ccc12 ZINC000164039712 186146594 /nfs/dbraw/zinc/14/65/94/186146594.db2.gz TZCFYQARCZUVPY-UHFFFAOYSA-N 1 0 314.838 2.449 10 0 DEAERO C[NH+]1CCN(c2ccc(C(F)(F)F)c(C(N)=S)c2)CC1 ZINC000164121275 186149265 /nfs/dbraw/zinc/14/92/65/186149265.db2.gz LUXLSFGNOZZLAB-UHFFFAOYSA-N 1 0 303.353 2.091 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)C[S@](=O)c2ccc(F)cc2)cc1 ZINC000155919484 186123606 /nfs/dbraw/zinc/12/36/06/186123606.db2.gz UERJWZREBMZFHW-OAQYLSRUSA-N 1 0 306.362 2.031 10 0 DEAERO CCOc1nc(N[C@@H](c2cccs2)C(C)C)nc(NN)[nH+]1 ZINC000159550209 186126595 /nfs/dbraw/zinc/12/65/95/186126595.db2.gz DJXZDGFWXSASIZ-SNVBAGLBSA-N 1 0 308.411 2.427 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1cc(Br)ccc1F ZINC000159616986 186130776 /nfs/dbraw/zinc/13/07/76/186130776.db2.gz DVCYFWAQCRUWQT-SNVBAGLBSA-N 1 0 319.174 2.281 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N(CCO)CCOC ZINC000164223016 186152504 /nfs/dbraw/zinc/15/25/04/186152504.db2.gz OTFKTWJKSOCZBE-GJZGRUSLSA-N 1 0 300.830 2.059 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000164254577 186154098 /nfs/dbraw/zinc/15/40/98/186154098.db2.gz QLGDJKSQSJASLZ-GFCCVEGCSA-N 1 0 300.200 2.238 10 0 DEAERO CC(C(=O)NCc1cc(F)ccc1Br)=C1C[NH2+]C1 ZINC000164312244 186155659 /nfs/dbraw/zinc/15/56/59/186155659.db2.gz LIHBJAGDVRWELR-UHFFFAOYSA-N 1 0 313.170 2.124 10 0 DEAERO CCO[C@H](C)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000164321739 186155741 /nfs/dbraw/zinc/15/57/41/186155741.db2.gz RIEBYGLTYKOPJS-MFKMUULPSA-N 1 0 301.383 2.059 10 0 DEAERO Cn1cnnc1Sc1ccc(C(F)(F)F)c(C(N)=[NH2+])c1 ZINC000164335228 186156469 /nfs/dbraw/zinc/15/64/69/186156469.db2.gz AYOXEGNZQDCALT-UHFFFAOYSA-N 1 0 301.297 2.269 10 0 DEAERO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000164357363 186157251 /nfs/dbraw/zinc/15/72/51/186157251.db2.gz SLLSOMXLTKRCOQ-VXGBXAGGSA-N 1 0 305.447 2.380 10 0 DEAERO CC(C)COc1ncccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171480305 186166601 /nfs/dbraw/zinc/16/66/01/186166601.db2.gz CVZITVWXVHIMMJ-CQSZACIVSA-N 1 0 303.406 2.037 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000187992601 186240421 /nfs/dbraw/zinc/24/04/21/186240421.db2.gz NUQJRBKEVQHXIF-LRDDRELGSA-N 1 0 304.394 2.058 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000237445402 186289977 /nfs/dbraw/zinc/28/99/77/186289977.db2.gz HTYLQGMNEYDGNA-MLGOLLRUSA-N 1 0 315.417 2.092 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3cc[nH]c3c2)C[C@H]1C ZINC000194274112 186275767 /nfs/dbraw/zinc/27/57/67/186275767.db2.gz KAGFFDBWVZPKGJ-CHWSQXEVSA-N 1 0 316.405 2.087 10 0 DEAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)c[nH]1 ZINC000617019939 363001312 /nfs/dbraw/zinc/00/13/12/363001312.db2.gz VEWHZZDEKUQUPH-JTQLQIEISA-N 1 0 314.227 2.380 10 0 DEAERO Cc1cc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n(C)n1 ZINC000171650475 197960893 /nfs/dbraw/zinc/96/08/93/197960893.db2.gz ATDYGXAKAOLTCK-AWEZNQCLSA-N 1 0 305.426 2.211 10 0 DEAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000171883076 198000345 /nfs/dbraw/zinc/00/03/45/198000345.db2.gz FKZIFPNCSZGLSK-JKSUJKDBSA-N 1 0 322.836 2.460 10 0 DEAERO O=C(Nc1ccccc1-n1cccn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171889668 198002392 /nfs/dbraw/zinc/00/23/92/198002392.db2.gz MNMFCYKRKOPPID-CQSZACIVSA-N 1 0 311.389 2.184 10 0 DEAERO CC(=O)Nc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000171888296 198002554 /nfs/dbraw/zinc/00/25/54/198002554.db2.gz SMDKAXFNNZKVDC-AWEZNQCLSA-N 1 0 316.405 2.265 10 0 DEAERO CC(C)(C)C1CC[NH+](CC(=O)NC(=O)NCc2ccco2)CC1 ZINC000172032692 198029596 /nfs/dbraw/zinc/02/95/96/198029596.db2.gz NOXUGWUKHRDCJY-UHFFFAOYSA-N 1 0 321.421 2.364 10 0 DEAERO Cc1ccc(-c2cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)[nH]n2)o1 ZINC000172056522 198031974 /nfs/dbraw/zinc/03/19/74/198031974.db2.gz VHLSUHDLKWQUQZ-WCQYABFASA-N 1 0 314.389 2.287 10 0 DEAERO CCN(C(C)=O)c1nc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cs1 ZINC000172083301 198036397 /nfs/dbraw/zinc/03/63/97/198036397.db2.gz MSNAIOAMENUZJP-WFASDCNBSA-N 1 0 322.478 2.184 10 0 DEAERO O=C(C[C@@H]1CCOc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172120147 198042800 /nfs/dbraw/zinc/04/28/00/198042800.db2.gz VOYAFBZAROBMOK-LSDHHAIUSA-N 1 0 300.402 2.249 10 0 DEAERO c1n[nH]cc1CC[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000626075814 366039695 /nfs/dbraw/zinc/03/96/95/366039695.db2.gz VKZVQVVXGCTBPV-UHFFFAOYSA-N 1 0 309.417 2.251 10 0 DEAERO O=C(Cc1c[nH]c2ccc(F)cc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172217279 198059275 /nfs/dbraw/zinc/05/92/75/198059275.db2.gz ZGQKDOMORFXLCM-AWEZNQCLSA-N 1 0 301.365 2.156 10 0 DEAERO Cc1cc(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000172320700 198079551 /nfs/dbraw/zinc/07/95/51/198079551.db2.gz KDGXHQSSKJKHCD-UHFFFAOYSA-N 1 0 313.401 2.438 10 0 DEAERO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)c2)n1 ZINC000333880872 282985773 /nfs/dbraw/zinc/98/57/73/282985773.db2.gz DLFLYRJQLDQPRM-IHRRRGAJSA-N 1 0 313.405 2.429 10 0 DEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000324433924 539906912 /nfs/dbraw/zinc/90/69/12/539906912.db2.gz CCWLQFNWTZSIJX-TZMCWYRMSA-N 1 0 301.814 2.076 10 0 DEAERO C[C@H]1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1 ZINC000329014456 539913522 /nfs/dbraw/zinc/91/35/22/539913522.db2.gz JKPBJODRYJXUKY-YRWGSWDYSA-N 1 0 316.449 2.393 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000072897342 191249723 /nfs/dbraw/zinc/24/97/23/191249723.db2.gz YOQJOHMGPOEDBG-KGLIPLIRSA-N 1 0 317.433 2.447 10 0 DEAERO Cc1ncc(-c2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)c(C)n1 ZINC000329740409 539928875 /nfs/dbraw/zinc/92/88/75/539928875.db2.gz VILBYBFUJZUNGR-OCCSQVGLSA-N 1 0 315.377 2.069 10 0 DEAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(-n2ccnc2)c1 ZINC000332886444 539943179 /nfs/dbraw/zinc/94/31/79/539943179.db2.gz JTFHRYUDOSEPNO-IRXDYDNUSA-N 1 0 310.401 2.229 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccccc2Cl)CC[N@@H+]1C ZINC000173275765 198205178 /nfs/dbraw/zinc/20/51/78/198205178.db2.gz NBORUHCYBRAEKI-RYUDHWBXSA-N 1 0 316.854 2.443 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000173271170 198204251 /nfs/dbraw/zinc/20/42/51/198204251.db2.gz WAXQSSBYURVRAQ-UKRRQHHQSA-N 1 0 321.421 2.004 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000173272558 198204314 /nfs/dbraw/zinc/20/43/14/198204314.db2.gz GSUVGYOPDFXWOD-DGCLKSJQSA-N 1 0 316.854 2.443 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2ccc(C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000173272867 198205011 /nfs/dbraw/zinc/20/50/11/198205011.db2.gz WSWYEINGNOPSSJ-ZBFHGGJFSA-N 1 0 305.422 2.304 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000173275263 198205475 /nfs/dbraw/zinc/20/54/75/198205475.db2.gz BDKHDFPSAZOYCO-CABCVRRESA-N 1 0 310.463 2.407 10 0 DEAERO COc1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000333295923 539955385 /nfs/dbraw/zinc/95/53/85/539955385.db2.gz JVCPXLUFQQYREN-WDEREUQCSA-N 1 0 309.797 2.422 10 0 DEAERO CCc1cnc(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)s1 ZINC000173397047 198209979 /nfs/dbraw/zinc/20/99/79/198209979.db2.gz HRUPWKMRBBUAEW-QWHCGFSZSA-N 1 0 322.478 2.474 10 0 DEAERO CCc1cnc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000173398781 198210075 /nfs/dbraw/zinc/21/00/75/198210075.db2.gz SPWKBRVQBLVLBX-VXGBXAGGSA-N 1 0 310.467 2.330 10 0 DEAERO CO[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000173701359 198242547 /nfs/dbraw/zinc/24/25/47/198242547.db2.gz ZTTJCUSCFJKMOS-DLBZAZTESA-N 1 0 315.417 2.030 10 0 DEAERO COc1cccc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173748115 198247491 /nfs/dbraw/zinc/24/74/91/198247491.db2.gz PLUVRKNMAAFLKM-GDBMZVCRSA-N 1 0 319.449 2.362 10 0 DEAERO Cc1ccccc1OCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174204762 198305801 /nfs/dbraw/zinc/30/58/01/198305801.db2.gz MTNAXBYKSPAJII-HZPDHXFCSA-N 1 0 319.449 2.498 10 0 DEAERO COc1ccc(OC)c([C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC000174442234 198335901 /nfs/dbraw/zinc/33/59/01/198335901.db2.gz XMKKJQCJERYCKF-GFCCVEGCSA-N 1 0 306.406 2.223 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1coc(-c2ccccc2)n1 ZINC000174351947 198323421 /nfs/dbraw/zinc/32/34/21/198323421.db2.gz YIXZZQQWAJRGPG-HNNXBMFYSA-N 1 0 314.389 2.235 10 0 DEAERO O[C@@H](CNc1cncc(Br)c1)C[NH+]1CCCCC1 ZINC000174684430 198370182 /nfs/dbraw/zinc/37/01/82/198370182.db2.gz FROOVRIICIYKTK-ZDUSSCGKSA-N 1 0 314.227 2.103 10 0 DEAERO CCOc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)ccc1C ZINC000073132365 191281496 /nfs/dbraw/zinc/28/14/96/191281496.db2.gz WSWSODRKHKVMRC-UHFFFAOYSA-N 1 0 320.433 2.234 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333507643 282932521 /nfs/dbraw/zinc/93/25/21/282932521.db2.gz DZLASQHAQZJPRY-CYBMUJFWSA-N 1 0 322.840 2.266 10 0 DEAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000037012551 354166541 /nfs/dbraw/zinc/16/65/41/354166541.db2.gz XFSRRVNJHFFTOE-SNVBAGLBSA-N 1 0 305.300 2.335 10 0 DEAERO CC(C)c1ccc(-c2noc(CCC(=O)NCCC[NH3+])n2)cc1 ZINC000236787182 202007525 /nfs/dbraw/zinc/00/75/25/202007525.db2.gz NUUBDSICKOIUKY-UHFFFAOYSA-N 1 0 316.405 2.258 10 0 DEAERO Cc1cccc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000176866861 198630682 /nfs/dbraw/zinc/63/06/82/198630682.db2.gz ZLDIGHKIFGWEJD-OAHLLOKOSA-N 1 0 318.461 2.468 10 0 DEAERO C[C@H]1CCC[C@](CNC(=O)NCc2cscn2)([NH+](C)C)C1 ZINC000051751570 354388257 /nfs/dbraw/zinc/38/82/57/354388257.db2.gz LZPKOIXSLGPHQA-WFASDCNBSA-N 1 0 310.467 2.453 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@@H]1OC ZINC000246774497 535270326 /nfs/dbraw/zinc/27/03/26/535270326.db2.gz IEZJJMMVFQGHQN-OAGGEKHMSA-N 1 0 321.465 2.236 10 0 DEAERO O=C(CCCCO)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379607412 540121401 /nfs/dbraw/zinc/12/14/01/540121401.db2.gz DZIDVLXVGIODPO-KRWDZBQOSA-N 1 0 304.434 2.320 10 0 DEAERO Cc1cc(C)n(-c2nc(C(C)C)cc(N3CCC([NH3+])CC3)n2)n1 ZINC000073663284 191339489 /nfs/dbraw/zinc/33/94/89/191339489.db2.gz GSDWPXXWXUHQAM-UHFFFAOYSA-N 1 0 314.437 2.330 10 0 DEAERO COc1cc2nc(Cl)nc(N[C@@H]3CC[NH2+]C3)c2cc1OC ZINC000073735639 191349584 /nfs/dbraw/zinc/34/95/84/191349584.db2.gz RKPFZUMRADBZES-MRVPVSSYSA-N 1 0 308.769 2.074 10 0 DEAERO CC(C)(C)c1nccc(N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000085689357 355495733 /nfs/dbraw/zinc/49/57/33/355495733.db2.gz DESKAAOMJBWRNV-LSDHHAIUSA-N 1 0 318.465 2.200 10 0 DEAERO C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc(F)c(Cl)c1 ZINC000089519301 355535912 /nfs/dbraw/zinc/53/59/12/355535912.db2.gz FDYYNYNNWAKVFG-JTQLQIEISA-N 1 0 320.817 2.165 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2OC)[C@H](C)C1 ZINC000076481357 191651056 /nfs/dbraw/zinc/65/10/56/191651056.db2.gz BDXIONMEOGOELC-ZBFHGGJFSA-N 1 0 304.434 2.426 10 0 DEAERO CC(C)[N@H+](CCn1cnc2ccccc2c1=O)C1CCOCC1 ZINC000077323256 191692503 /nfs/dbraw/zinc/69/25/03/191692503.db2.gz WVDDYDYCHAYDBK-UHFFFAOYSA-N 1 0 315.417 2.286 10 0 DEAERO O=C1CCCN1C[C@H](O)C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000111685090 355749359 /nfs/dbraw/zinc/74/93/59/355749359.db2.gz JOUDVXZRCLPXHF-GOSISDBHSA-N 1 0 316.445 2.272 10 0 DEAERO O=C1CCCN1C[C@@H](O)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000111684179 355749417 /nfs/dbraw/zinc/74/94/17/355749417.db2.gz JHGROFNMMSXGMC-MRXNPFEDSA-N 1 0 322.836 2.288 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)C(C)(C)C ZINC000121525622 355797229 /nfs/dbraw/zinc/79/72/29/355797229.db2.gz JUSCRFHGKKNVOL-CQSZACIVSA-N 1 0 323.506 2.417 10 0 DEAERO C#Cc1cccc([C@@H](CN2CC[NH2+]CC2)C2(O)CCCCC2)c1 ZINC000136683093 355868170 /nfs/dbraw/zinc/86/81/70/355868170.db2.gz AUTMHPRFYAAANQ-LJQANCHMSA-N 1 0 312.457 2.352 10 0 DEAERO C[NH+]1CCC(N(C[C@H]2CCOC2)C(=O)Cc2cccs2)CC1 ZINC000169749124 355980338 /nfs/dbraw/zinc/98/03/38/355980338.db2.gz CGSMFUMZDLWIAD-CQSZACIVSA-N 1 0 322.474 2.250 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCNC1=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000179062392 356013082 /nfs/dbraw/zinc/01/30/82/356013082.db2.gz DUSHMECWSBSBDU-DYVFJYSZSA-N 1 0 323.396 2.478 10 0 DEAERO CCC[C@@H](C)C[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000179621633 356029176 /nfs/dbraw/zinc/02/91/76/356029176.db2.gz DCUPTPCBBPZXDX-QGZVFWFLSA-N 1 0 309.498 2.443 10 0 DEAERO C[C@H]([NH2+]CC(=O)NCc1cccs1)c1ccc2c(c1)OCO2 ZINC000182287161 356119535 /nfs/dbraw/zinc/11/95/35/356119535.db2.gz OWCHQDOFHVMHLR-NSHDSACASA-N 1 0 318.398 2.444 10 0 DEAERO CC[NH2+]Cc1cc(=O)[nH]c(-c2ccccc2Br)n1 ZINC000079939823 191986750 /nfs/dbraw/zinc/98/67/50/191986750.db2.gz PGXDVERACGBHBC-UHFFFAOYSA-N 1 0 308.179 2.309 10 0 DEAERO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000183065691 356158759 /nfs/dbraw/zinc/15/87/59/356158759.db2.gz SEVSHTATHKXHHV-CABCVRRESA-N 1 0 317.401 2.453 10 0 DEAERO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1-n1ccc(C)n1 ZINC000183347836 356169499 /nfs/dbraw/zinc/16/94/99/356169499.db2.gz CHKYSWJNGBNRHD-CQSZACIVSA-N 1 0 321.446 2.094 10 0 DEAERO Cc1csc([C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C2CC2)n1 ZINC000183511295 356174987 /nfs/dbraw/zinc/17/49/87/356174987.db2.gz VPHXFLADSVUHSP-BXKDBHETSA-N 1 0 302.465 2.173 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000188111509 356214242 /nfs/dbraw/zinc/21/42/42/356214242.db2.gz YHHULYFOYADUIO-HUUCEWRRSA-N 1 0 322.449 2.402 10 0 DEAERO CCOc1c(F)cccc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000080291365 192020886 /nfs/dbraw/zinc/02/08/86/192020886.db2.gz OVEVFQCZPKGMHN-UHFFFAOYSA-N 1 0 324.396 2.065 10 0 DEAERO Cc1cccc(CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000184910854 356199566 /nfs/dbraw/zinc/19/95/66/356199566.db2.gz ZGFGHUCUQOHXTH-OAHLLOKOSA-N 1 0 304.438 2.454 10 0 DEAERO CCc1nnc(CN(CC)C[C@H]2COc3ccccc3O2)n1C ZINC000195020832 356249136 /nfs/dbraw/zinc/24/91/36/356249136.db2.gz VOTAPUXYQHDPJL-ZDUSSCGKSA-N 1 0 316.405 2.039 10 0 DEAERO C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000228112118 356281266 /nfs/dbraw/zinc/28/12/66/356281266.db2.gz JAGDTDOSGCUUBW-GARJFASQSA-N 1 0 322.232 2.482 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc2c(c1)OCCO2 ZINC000207546342 356268351 /nfs/dbraw/zinc/26/83/51/356268351.db2.gz XYHDGICPLDPOOP-UKRRQHHQSA-N 1 0 316.401 2.157 10 0 DEAERO COc1cc(C[NH2+][C@H](CO)C(C)C)cc(Br)c1O ZINC000080789531 192191197 /nfs/dbraw/zinc/19/11/97/192191197.db2.gz LERJOHISCQEJHD-LLVKDONJSA-N 1 0 318.211 2.270 10 0 DEAERO CCCNS(=O)(=O)c1ccccc1OCC1([NH3+])CCCC1 ZINC000080851702 192195045 /nfs/dbraw/zinc/19/50/45/192195045.db2.gz BTNLRHVQLDCURH-UHFFFAOYSA-N 1 0 312.435 2.025 10 0 DEAERO [NH3+]Cc1cncc(I)c1OC(F)(F)F ZINC000238571742 356304244 /nfs/dbraw/zinc/30/42/44/356304244.db2.gz JDHRFKAXJYGSGI-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO CC(C)[C@H](O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400474250 283157720 /nfs/dbraw/zinc/15/77/20/283157720.db2.gz ZDSWCJCCPMIIIA-MELADBBJSA-N 1 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ZINC000400399503 283156680 /nfs/dbraw/zinc/15/66/80/283156680.db2.gz KFICWALKDICHII-FRRDWIJNSA-N 1 0 323.441 2.111 10 0 DEAERO CC(C)(O)CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000313697920 356414348 /nfs/dbraw/zinc/41/43/48/356414348.db2.gz RXTDPTNFQBOSPO-SNVBAGLBSA-N 1 0 322.232 2.484 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1c1ncc(I)s1 ZINC000307703827 356409644 /nfs/dbraw/zinc/40/96/44/356409644.db2.gz WEZCJCVMTYNEHH-RQJHMYQMSA-N 1 0 308.188 2.461 10 0 DEAERO FC(F)(F)c1cn2c(n1)CC[C@H](C[NH2+]Cc1csnn1)C2 ZINC000328624252 356462606 /nfs/dbraw/zinc/46/26/06/356462606.db2.gz CILQNRZLZLOMBN-MRVPVSSYSA-N 1 0 317.340 2.106 10 0 DEAERO CN1CCO[C@@H](CN(Cc2nc3c(s2)CCC3)CC2CC2)C1 ZINC000328626853 356462921 /nfs/dbraw/zinc/46/29/21/356462921.db2.gz FNISFWHTWYSVHU-CQSZACIVSA-N 1 0 321.490 2.174 10 0 DEAERO CC(=O)N(C1CCC1)[C@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)CC1 ZINC000328622681 356463409 /nfs/dbraw/zinc/46/34/09/356463409.db2.gz BMLOFVONAPLHQJ-UONOGXRCSA-N 1 0 322.371 2.165 10 0 DEAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCc1cccc(OC)n1 ZINC000358881045 535305492 /nfs/dbraw/zinc/30/54/92/535305492.db2.gz CXEWRCHWYMHVNQ-CQSZACIVSA-N 1 0 322.453 2.052 10 0 DEAERO Brc1ccccc1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404054532 283164503 /nfs/dbraw/zinc/16/45/03/283164503.db2.gz GHFBQEFQYVBBSP-KGLIPLIRSA-N 1 0 311.223 2.012 10 0 DEAERO Cc1ccc([C@H](O)CNc2cc(N[C@H]3CCCOC3)ncn2)o1 ZINC000328640237 356466027 /nfs/dbraw/zinc/46/60/27/356466027.db2.gz PXGUOOUNQXWMKD-QWHCGFSZSA-N 1 0 318.377 2.114 10 0 DEAERO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1cc[nH]c1 ZINC000328655979 356466787 /nfs/dbraw/zinc/46/67/87/356466787.db2.gz YWUFTRXBCGGHKF-GFCCVEGCSA-N 1 0 304.419 2.032 10 0 DEAERO CC(C)CN(CC[NH+](C)C)c1nnc(Br)s1 ZINC000081664301 192308295 /nfs/dbraw/zinc/30/82/95/192308295.db2.gz ZWDQVSQHDHKFKM-UHFFFAOYSA-N 1 0 307.261 2.325 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1n[nH]c(-c2ccccc2Cl)n1 ZINC000236936562 202081597 /nfs/dbraw/zinc/08/15/97/202081597.db2.gz CUPMPPWETHWXPS-KWQFWETISA-N 1 0 307.785 2.437 10 0 DEAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)[C@@H]2CCO[C@@H]21 ZINC000085635210 192518410 /nfs/dbraw/zinc/51/84/10/192518410.db2.gz YXHFQQXSRNNLMT-RVMXOQNASA-N 1 0 306.372 2.274 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCCCc1cc(OC)ccc1OC ZINC000237028385 202126763 /nfs/dbraw/zinc/12/67/63/202126763.db2.gz QQPDBVQJBZEMCF-LRDDRELGSA-N 1 0 308.422 2.126 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](NC(=O)c2csc(Br)c2)C1 ZINC000382471318 356675254 /nfs/dbraw/zinc/67/52/54/356675254.db2.gz BQYAGKUZBNXKJS-CBAPKCEASA-N 1 0 303.225 2.368 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000386733736 356697866 /nfs/dbraw/zinc/69/78/66/356697866.db2.gz WBUNGDLZFHDFHV-GOSISDBHSA-N 1 0 320.477 2.417 10 0 DEAERO COc1cc(C[NH2+][C@@H]2CO[C@H](C)C2)cc(Br)c1O ZINC000402030760 356728566 /nfs/dbraw/zinc/72/85/66/356728566.db2.gz YUWZIYSAOPZMRM-SCZZXKLOSA-N 1 0 316.195 2.430 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)[C@@H](C)OC)CC(C)C ZINC000578289078 356790379 /nfs/dbraw/zinc/79/03/79/356790379.db2.gz BJIQMEBHDWUFKN-RBSFLKMASA-N 1 0 301.475 2.466 10 0 DEAERO C[C@H]([NH2+]CC(C)(C)O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000087010929 192610186 /nfs/dbraw/zinc/61/01/86/192610186.db2.gz CSWOUEHJEALCBG-STQMWFEESA-N 1 0 300.443 2.383 10 0 DEAERO CC[C@@H]1CN(Cc2nc(-c3ccoc3)no2)C[C@@]2(CCOC2)O1 ZINC000579906081 357048221 /nfs/dbraw/zinc/04/82/21/357048221.db2.gz KZOQWDMLZAQEQO-CZUORRHYSA-N 1 0 319.361 2.100 10 0 DEAERO CC[NH2+]Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000088912908 192654815 /nfs/dbraw/zinc/65/48/15/192654815.db2.gz XLCZJSFAYXZBAR-GFCCVEGCSA-N 1 0 314.426 2.356 10 0 DEAERO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C[NH3+])c1Cl ZINC000088917279 192655585 /nfs/dbraw/zinc/65/55/85/192655585.db2.gz TXAJTJHZDNNCRU-UHFFFAOYSA-N 1 0 311.234 2.481 10 0 DEAERO C[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N(C)c1ccccc1 ZINC000088911604 192653543 /nfs/dbraw/zinc/65/35/43/192653543.db2.gz XAHWCBGCJAUSIO-UHFFFAOYSA-N 1 0 308.403 2.441 10 0 DEAERO CCC(CC)N(C)S(=O)(=O)c1c[nH]c(C[NH2+]C(C)C)c1 ZINC000088963797 192671202 /nfs/dbraw/zinc/67/12/02/192671202.db2.gz DHBKVXIFVDHHBF-UHFFFAOYSA-N 1 0 301.456 2.322 10 0 DEAERO CCC1CCN(S(=O)(=O)c2ccc(CC[NH2+]C)cc2)CC1 ZINC000088988989 192683664 /nfs/dbraw/zinc/68/36/64/192683664.db2.gz UGLLYJJZIOBQNK-UHFFFAOYSA-N 1 0 310.463 2.259 10 0 DEAERO C[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)NCc1ccccc1 ZINC000088983054 192681526 /nfs/dbraw/zinc/68/15/26/192681526.db2.gz UVBUGSJSOQXDHZ-UHFFFAOYSA-N 1 0 308.403 2.094 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)C1 ZINC000586764075 357365913 /nfs/dbraw/zinc/36/59/13/357365913.db2.gz YFFKXUWGNFYXQL-GJZGRUSLSA-N 1 0 316.445 2.401 10 0 DEAERO CS(=O)(=O)Nc1cccc(C[NH2+]CCc2ccccc2O)c1 ZINC000589649721 357487864 /nfs/dbraw/zinc/48/78/64/357487864.db2.gz HAMVEELJOOMVBP-UHFFFAOYSA-N 1 0 320.414 2.096 10 0 DEAERO C[NH+](C)CCn1cc(NC(=O)NCc2ccc(Cl)cc2)cn1 ZINC000591401533 357717906 /nfs/dbraw/zinc/71/79/06/357717906.db2.gz RWFKFHAGAYRMBP-UHFFFAOYSA-N 1 0 321.812 2.420 10 0 DEAERO CCC[C@@H](C(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1)[NH+](C)C ZINC000179233819 199002446 /nfs/dbraw/zinc/00/24/46/199002446.db2.gz YGIYTCWVKZBNAE-HIFRSBDPSA-N 1 0 322.449 2.481 10 0 DEAERO NC(=O)NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000090635451 283304238 /nfs/dbraw/zinc/30/42/38/283304238.db2.gz CDDOGUDOUQOFKD-QGZVFWFLSA-N 1 0 323.396 2.023 10 0 DEAERO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2cnn(C)c2)CC1 ZINC000180390360 199152994 /nfs/dbraw/zinc/15/29/94/199152994.db2.gz ZQHGMVDZHLWXMS-AWEZNQCLSA-N 1 0 321.469 2.243 10 0 DEAERO CC(C)Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc(=O)[nH]1 ZINC000180406934 199155218 /nfs/dbraw/zinc/15/52/18/199155218.db2.gz JUFAPOWUTJBPPO-XJKSGUPXSA-N 1 0 317.433 2.294 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000180893364 199225089 /nfs/dbraw/zinc/22/50/89/199225089.db2.gz FZWRSRHSNXNJBL-NSHDSACASA-N 1 0 308.813 2.019 10 0 DEAERO CCCn1cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000181005294 199240347 /nfs/dbraw/zinc/24/03/47/199240347.db2.gz HTVGIQRLOISHSR-UHFFFAOYSA-N 1 0 318.396 2.424 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)C[C@H]2CCCC[C@@H]2O)ccc1F ZINC000280721776 215818192 /nfs/dbraw/zinc/81/81/92/215818192.db2.gz HKOMOPRQFYDEGL-PBHICJAKSA-N 1 0 322.424 2.445 10 0 DEAERO CC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2OC)CC1 ZINC000181136468 199255586 /nfs/dbraw/zinc/25/55/86/199255586.db2.gz AWRYZJDUFDYTTD-CQSZACIVSA-N 1 0 305.422 2.050 10 0 DEAERO CCC(C)(C)N(C)S(=O)(=O)c1n[nH]c(C)c1C[NH2+]C(C)C ZINC000089039458 192713858 /nfs/dbraw/zinc/71/38/58/192713858.db2.gz BVZDYYHIJGUHPC-UHFFFAOYSA-N 1 0 316.471 2.025 10 0 DEAERO O=S(=O)(CCCC[NH2+]C1CC1)N1CCC[C@@H]2CCC[C@H]21 ZINC000089049643 192720699 /nfs/dbraw/zinc/72/06/99/192720699.db2.gz MDVCIFCYSYFCBF-DZGCQCFKSA-N 1 0 300.468 2.113 10 0 DEAERO Cc1csc([C@@H](C)CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000186809624 200013969 /nfs/dbraw/zinc/01/39/69/200013969.db2.gz IRJLPUOFCHHMEB-GXTWGEPZSA-N 1 0 320.462 2.211 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000186836045 200018948 /nfs/dbraw/zinc/01/89/48/200018948.db2.gz MSFVQZOMPBUFNE-SUMWQHHRSA-N 1 0 314.429 2.252 10 0 DEAERO C[N@H+](CC1(CO)CC1)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000186764164 200006285 /nfs/dbraw/zinc/00/62/85/200006285.db2.gz HMLFRNBJIQMAEO-OAHLLOKOSA-N 1 0 306.381 2.025 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2cc(Cl)cc3c2OCC3)C1 ZINC000186846275 200020858 /nfs/dbraw/zinc/02/08/58/200020858.db2.gz BMZGNENWUGTKKH-AWEZNQCLSA-N 1 0 323.824 2.120 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]nc1-c1ccsc1 ZINC000186966156 200040379 /nfs/dbraw/zinc/04/03/79/200040379.db2.gz DTCIZYDTDYBBQG-WCQYABFASA-N 1 0 316.430 2.447 10 0 DEAERO CS(=O)(=O)NCC1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449314347 240352672 /nfs/dbraw/zinc/35/26/72/240352672.db2.gz CGLYIVHTXUWTEO-UHFFFAOYSA-N 1 0 322.430 2.194 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000187917186 200176543 /nfs/dbraw/zinc/17/65/43/200176543.db2.gz 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/nfs/dbraw/zinc/16/14/16/193161416.db2.gz SQDSGFFIWYIDDH-UWVGGRQHSA-N 1 0 302.827 2.075 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)ccc1C ZINC000092113766 193161784 /nfs/dbraw/zinc/16/17/84/193161784.db2.gz SKVCEGWETSCYBZ-OKILXGFUSA-N 1 0 310.463 2.381 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)ccc1F ZINC000092113603 193161858 /nfs/dbraw/zinc/16/18/58/193161858.db2.gz DTLVLHIJBMYBGX-VXGBXAGGSA-N 1 0 314.426 2.212 10 0 DEAERO CC(C)(C)NS(=O)(=O)c1ccc(C[NH2+]C2CC2)cc1F ZINC000092115776 193163173 /nfs/dbraw/zinc/16/31/73/193163173.db2.gz KPYXGZPVUDSSOI-UHFFFAOYSA-N 1 0 300.399 2.155 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NCc2ccccc2)c(F)c1 ZINC000092115828 193163405 /nfs/dbraw/zinc/16/34/05/193163405.db2.gz MJCSARNLNQMVMI-UHFFFAOYSA-N 1 0 308.378 2.024 10 0 DEAERO CC1(C)CCCN(S(=O)(=O)c2ccc(C[NH3+])cc2F)C1 ZINC000092116220 193164494 /nfs/dbraw/zinc/16/44/94/193164494.db2.gz XVAGNMJPWSELRO-UHFFFAOYSA-N 1 0 300.399 2.095 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2C)c(F)c1 ZINC000092116074 193164549 /nfs/dbraw/zinc/16/45/49/193164549.db2.gz LHDXKYQOLRIVLY-GXFFZTMASA-N 1 0 300.399 2.010 10 0 DEAERO C=Cc1ccc(CC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)cc1 ZINC000631140030 368039768 /nfs/dbraw/zinc/03/97/68/368039768.db2.gz RKMCDHIWQMROEL-QGZVFWFLSA-N 1 0 312.417 2.290 10 0 DEAERO c1c(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)nnn1C[C@@H]1CCOC1 ZINC000631165573 368056438 /nfs/dbraw/zinc/05/64/38/368056438.db2.gz NWKOKQDUKWNBHK-YXJHDRRASA-N 1 0 312.417 2.208 10 0 DEAERO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631171509 368059889 /nfs/dbraw/zinc/05/98/89/368059889.db2.gz JXVDFZRXJCWUMM-SUNYJGFJSA-N 1 0 312.417 2.133 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092206600 193173258 /nfs/dbraw/zinc/17/32/58/193173258.db2.gz GVUJBXHMNXCNRQ-NXEZZACHSA-N 1 0 308.403 2.329 10 0 DEAERO C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000631845068 368420146 /nfs/dbraw/zinc/42/01/46/368420146.db2.gz SDHDBBHFGVGDDR-UWVGGRQHSA-N 1 0 316.232 2.459 10 0 DEAERO COC[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451573232 243140528 /nfs/dbraw/zinc/14/05/28/243140528.db2.gz UFUGFHILBFHKPD-TZMCWYRMSA-N 1 0 314.223 2.246 10 0 DEAERO C[C@@H](C(N)=S)[NH+]1CCN(C[C@H]2CSc3ccccc32)CC1 ZINC000092275971 193183816 /nfs/dbraw/zinc/18/38/16/193183816.db2.gz PGDWAQYGVHFONO-STQMWFEESA-N 1 0 321.515 2.168 10 0 DEAERO COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)cc1 ZINC000092970849 193190100 /nfs/dbraw/zinc/19/01/00/193190100.db2.gz HBEGWPGRHCNLIW-KGLIPLIRSA-N 1 0 321.417 2.220 10 0 DEAERO C[NH2+]Cc1sc(N(CCOC)[C@H](C)COC)nc1C(C)C ZINC000093000059 193192858 /nfs/dbraw/zinc/19/28/58/193192858.db2.gz HGEDRCUESJYGRO-GFCCVEGCSA-N 1 0 315.483 2.474 10 0 DEAERO COc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000093012071 193194027 /nfs/dbraw/zinc/19/40/27/193194027.db2.gz KALHRPXHGSBXTQ-KRWDZBQOSA-N 1 0 304.434 2.382 10 0 DEAERO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261893731 203146354 /nfs/dbraw/zinc/14/63/54/203146354.db2.gz UGHZEUNSAIHBCC-XDEPDNQISA-N 1 0 322.474 2.333 10 0 DEAERO O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000261930209 203155389 /nfs/dbraw/zinc/15/53/89/203155389.db2.gz JJCZMCAANQBCRY-USXIJHARSA-N 1 0 302.418 2.270 10 0 DEAERO COCC[NH2+]C[C@@H](CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000093148262 193208098 /nfs/dbraw/zinc/20/80/98/193208098.db2.gz BPMCEDOMWFGIHC-CYBMUJFWSA-N 1 0 319.854 2.094 10 0 DEAERO [NH3+][C@H]1CC[C@@H](OCC(=O)Nc2ccc(Br)cc2)C1 ZINC000093216634 193217135 /nfs/dbraw/zinc/21/71/35/193217135.db2.gz SYAWUTIDDLLLEC-CMPLNLGQSA-N 1 0 313.195 2.284 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000093218783 193217887 /nfs/dbraw/zinc/21/78/87/193217887.db2.gz IJMFPYRURVLFFP-PSASIEDQSA-N 1 0 309.309 2.239 10 0 DEAERO CCC[NH2+][C@@H](Cc1c(Cl)c(CC)nn1C)C(OC)OC ZINC000093305489 193227738 /nfs/dbraw/zinc/22/77/38/193227738.db2.gz ZIKXBKMSGMWFNP-NSHDSACASA-N 1 0 303.834 2.166 10 0 DEAERO CN(CCc1cccs1)S(=O)(=O)c1ccccc1C[NH3+] ZINC000093294745 193226442 /nfs/dbraw/zinc/22/64/42/193226442.db2.gz RGLHXZKBURJYGI-UHFFFAOYSA-N 1 0 310.444 2.070 10 0 DEAERO CCOC(OCC)[C@H](Cc1c(Cl)c(C)nn1CC)[NH2+]C ZINC000093306917 193227164 /nfs/dbraw/zinc/22/71/64/193227164.db2.gz IIDXPSKLKNKRCM-NSHDSACASA-N 1 0 303.834 2.394 10 0 DEAERO COCCN1C(=[NH2+])NC[C@]1(C)c1cccc(C(F)(F)F)c1 ZINC000093380561 193240981 /nfs/dbraw/zinc/24/09/81/193240981.db2.gz BMUYMAPURMUAPY-CYBMUJFWSA-N 1 0 301.312 2.197 10 0 DEAERO C[C@@H](C[C@H]1CCCC[NH2+]1)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000093485532 193258542 /nfs/dbraw/zinc/25/85/42/193258542.db2.gz VLHZVWHJLNRXQB-SWLSCSKDSA-N 1 0 311.451 2.391 10 0 DEAERO CCS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000093493696 193260055 /nfs/dbraw/zinc/26/00/55/193260055.db2.gz FELOVPCGWIBNDV-LSDHHAIUSA-N 1 0 315.479 2.425 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1ccc(OC)cc1 ZINC000093629118 193276590 /nfs/dbraw/zinc/27/65/90/193276590.db2.gz LEWHFQYJNFLKHF-BLLLJJGKSA-N 1 0 308.447 2.421 10 0 DEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSC1CCOCC1 ZINC000093630620 193277342 /nfs/dbraw/zinc/27/73/42/193277342.db2.gz SGNJANFGPXKOME-CZUORRHYSA-N 1 0 314.495 2.311 10 0 DEAERO COCCCSCC[C@@H]1CCC[C@@]1([NH2+]C(C)C)C(N)=O ZINC000093631111 193277684 /nfs/dbraw/zinc/27/76/84/193277684.db2.gz ANYLWNWFXDRWDQ-ZFWWWQNUSA-N 1 0 302.484 2.168 10 0 DEAERO C[NH2+][C@@H]1CCCCC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698051 193292926 /nfs/dbraw/zinc/29/29/26/193292926.db2.gz PNGVPZJCXWWIEZ-SOUVJXGZSA-N 1 0 302.484 2.216 10 0 DEAERO CCC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCC1 ZINC000093700397 193294170 /nfs/dbraw/zinc/29/41/70/193294170.db2.gz AQQSJTUFBFESEH-HIFRSBDPSA-N 1 0 302.484 2.216 10 0 DEAERO C[NH2+]C[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093701628 193294665 /nfs/dbraw/zinc/29/46/65/193294665.db2.gz WZHRENGFGHFVLE-HOCLYGCPSA-N 1 0 310.463 2.051 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093786112 193307242 /nfs/dbraw/zinc/30/72/42/193307242.db2.gz DYGXFFWBXSYECD-DOMZBBRYSA-N 1 0 306.435 2.105 10 0 DEAERO OC[C@@]1([NH2+]C2CC2)CCC[C@@H](N(CC(F)(F)F)C2CC2)C1 ZINC000093782836 193307301 /nfs/dbraw/zinc/30/73/01/193307301.db2.gz FVGKSCRYAJYBGL-ZIAGYGMSSA-N 1 0 306.372 2.439 10 0 DEAERO COC(=O)[C@]1([NH3+])CCC[C@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093780503 193307677 /nfs/dbraw/zinc/30/76/77/193307677.db2.gz BWFYNGUNEOOCBU-WFASDCNBSA-N 1 0 309.435 2.307 10 0 DEAERO CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](N(CC(F)(F)F)C(C)C)C1 ZINC000093826241 193312794 /nfs/dbraw/zinc/31/27/94/193312794.db2.gz RVVDAKLZZZFQGD-YPMHNXCESA-N 1 0 309.376 2.034 10 0 DEAERO Cc1ccc(S(=O)(=O)NC2C(C)(C)C([NH3+])C2(C)C)cc1C ZINC000094006444 193338687 /nfs/dbraw/zinc/33/86/87/193338687.db2.gz UMFWUQKDBOCCHM-UHFFFAOYSA-N 1 0 310.463 2.344 10 0 DEAERO CCC[NH2+][C@@]1(CO)CC[C@@H](n2cc(Br)cn2)C1 ZINC000093857926 193319380 /nfs/dbraw/zinc/31/93/80/193319380.db2.gz VDPRASQNKUAPHT-NEPJUHHUSA-N 1 0 302.216 2.101 10 0 DEAERO C[NH2+][C@H](Cc1c(Cl)cccc1Cl)[C@H]1CN(C)CCN1C ZINC000093894846 193324505 /nfs/dbraw/zinc/32/45/05/193324505.db2.gz QOKTVIFXVJWRFI-HUUCEWRRSA-N 1 0 316.276 2.370 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@@H]1CN(C)CCN1C ZINC000093895944 193324852 /nfs/dbraw/zinc/32/48/52/193324852.db2.gz OCHSIGYCSFPDIM-SJORKVTESA-N 1 0 309.885 2.497 10 0 DEAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)[C@@H]1CN(C)CCN1C ZINC000093895496 193325577 /nfs/dbraw/zinc/32/55/77/193325577.db2.gz MZOSCTHQNVASSY-CVEARBPZSA-N 1 0 313.848 2.246 10 0 DEAERO C[NH2+][C@H]1[C@@H](N2CCN(CC(F)(F)F)CC2)CCCC1(C)C ZINC000094275381 193356401 /nfs/dbraw/zinc/35/64/01/193356401.db2.gz FKCUWHDRNLUWCE-STQMWFEESA-N 1 0 307.404 2.333 10 0 DEAERO CCC[C@@](C)(C[NH2+]C(C)(C)C)CN(C)CCS(C)(=O)=O ZINC000094300230 193357948 /nfs/dbraw/zinc/35/79/48/193357948.db2.gz ZHKDSJLSOKFHHH-HNNXBMFYSA-N 1 0 306.516 2.157 10 0 DEAERO CC[NH2+][C@@H]1[C@@H](N2CCN(CC(F)(F)F)CC2)CCC1(C)C ZINC000094305754 193358767 /nfs/dbraw/zinc/35/87/67/193358767.db2.gz ZRYWFGKHZXBKNF-QWHCGFSZSA-N 1 0 307.404 2.333 10 0 DEAERO CCC[NH2+][C@H]1[C@@H](CN(C)CCS(C)(=O)=O)CCCC1(C)C ZINC000094300556 193358916 /nfs/dbraw/zinc/35/89/16/193358916.db2.gz RLYZCRAWSLZNAV-CABCVRRESA-N 1 0 318.527 2.157 10 0 DEAERO CCC[C@](C)(C[NH2+]CC(C)C)CN(C)CCS(C)(=O)=O ZINC000094300592 193358962 /nfs/dbraw/zinc/35/89/62/193358962.db2.gz SJNRSMCNLSMMEK-OAHLLOKOSA-N 1 0 306.516 2.015 10 0 DEAERO CC1(C)CCCC[C@H]1NS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000094330108 193359685 /nfs/dbraw/zinc/35/96/85/193359685.db2.gz BSLSQNSNLXRCJQ-ZIAGYGMSSA-N 1 0 302.484 2.407 10 0 DEAERO C[NH2+][C@@H]1[C@H](CN2CCN(CC(F)(F)F)CC2)CCC1(C)C ZINC000094318374 193359728 /nfs/dbraw/zinc/35/97/28/193359728.db2.gz HNLFPIVIBNSSGG-QWHCGFSZSA-N 1 0 307.404 2.191 10 0 DEAERO NC(=[NH2+])c1ccc(C(F)(F)F)nc1N1CCCSCC1 ZINC000094336698 193361075 /nfs/dbraw/zinc/36/10/75/193361075.db2.gz GKJSTJUUGIEBMR-UHFFFAOYSA-N 1 0 304.341 2.328 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000094345055 193362776 /nfs/dbraw/zinc/36/27/76/193362776.db2.gz QNLCFNUNMOUSRI-RITPCOANSA-N 1 0 308.250 2.110 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(F)c(O[C@H](C)C(=O)N(C)C)c(F)c1 ZINC000094350423 193363163 /nfs/dbraw/zinc/36/31/63/193363163.db2.gz WSHUZLYZWKCSIS-MWLCHTKSSA-N 1 0 300.349 2.100 10 0 DEAERO CN(Cc1ccc(Br)cc1N)C[C@@H]1CC[N@H+](C)C1 ZINC000094048044 193341885 /nfs/dbraw/zinc/34/18/85/193341885.db2.gz XAXSUEXHKDMQNP-LLVKDONJSA-N 1 0 312.255 2.415 10 0 DEAERO Cc1cc(NC(=O)[C@H]2CC23CC[NH2+]CC3)ncc1Br ZINC000094063526 193342771 /nfs/dbraw/zinc/34/27/71/193342771.db2.gz BCIQDMXMQNMFCK-SNVBAGLBSA-N 1 0 324.222 2.481 10 0 DEAERO C[C@H](CC(N)=O)C[C@@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000094071925 193343307 /nfs/dbraw/zinc/34/33/07/193343307.db2.gz RJZQFUBUDXUQQZ-WRWORJQWSA-N 1 0 303.175 2.490 10 0 DEAERO CCn1c2ccccc2nc1C[C@@](O)([C@H](C)[NH3+])C(F)(F)F ZINC000094167438 193347419 /nfs/dbraw/zinc/34/74/19/193347419.db2.gz RJOIQKPYNGKCNP-TVQRCGJNSA-N 1 0 301.312 2.239 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1c1nc(-c2ncc(Cl)cc2Cl)no1 ZINC000094199326 193348580 /nfs/dbraw/zinc/34/85/80/193348580.db2.gz LVJLRYQEIPGZKS-APPZFPTMSA-N 1 0 315.160 2.140 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@H](OC2(C[NH3+])CCCCCC2)C1 ZINC000094634103 193385401 /nfs/dbraw/zinc/38/54/01/193385401.db2.gz HBZJCPDEYJXUNX-KBPBESRZSA-N 1 0 303.468 2.411 10 0 DEAERO CCN(CC)[C@](C)(CC)[C@H]([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642911 193388596 /nfs/dbraw/zinc/38/85/96/193388596.db2.gz ZVEIUIXAVLOSKY-QKPAOTATSA-N 1 0 318.527 2.428 10 0 DEAERO CC(C)(C)[NH2+]CC[C@](C)(O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094645113 193389738 /nfs/dbraw/zinc/38/97/38/193389738.db2.gz XGEIIJAGYGTCPK-YDHLFZDLSA-N 1 0 305.484 2.119 10 0 DEAERO Cc1ccc(O[C@H]2CCO[C@]3(CCSC3)C2)c(CC[NH3+])n1 ZINC000094408765 193367736 /nfs/dbraw/zinc/36/77/36/193367736.db2.gz MAEWWYODMRPJND-XJKSGUPXSA-N 1 0 308.447 2.325 10 0 DEAERO CCOC(=O)[C@]1(NCC[NH+](CC)CC)CCCS[C@@H]1C ZINC000094479799 193372738 /nfs/dbraw/zinc/37/27/38/193372738.db2.gz QPBOANDXGQXIIY-HIFRSBDPSA-N 1 0 302.484 2.135 10 0 DEAERO C[C@@H]1SCCC[C@@H]1[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000094481107 193372945 /nfs/dbraw/zinc/37/29/45/193372945.db2.gz ANUKYLWZBVMDQH-AEGPPILISA-N 1 0 312.479 2.284 10 0 DEAERO CCCn1ncnc1C[C@@H]([NH2+]CC)[C@@H]1CSCCS1 ZINC000094498212 193374339 /nfs/dbraw/zinc/37/43/39/193374339.db2.gz DYUBFHSRELAZFM-NEPJUHHUSA-N 1 0 300.497 2.057 10 0 DEAERO CCC[NH2+][C@@H](c1cc(Cl)cnc1N)[C@H]1CSCCO1 ZINC000094504391 193374732 /nfs/dbraw/zinc/37/47/32/193374732.db2.gz XTMWSOBOLCJZQG-NEPJUHHUSA-N 1 0 301.843 2.490 10 0 DEAERO COc1ccc(Br)cc1Cn1cnc(CC[NH3+])c1 ZINC000094529611 193376786 /nfs/dbraw/zinc/37/67/86/193376786.db2.gz RNBGRGOLGWGWHB-UHFFFAOYSA-N 1 0 310.195 2.204 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2cc(F)ccc2Br)C1 ZINC000094548858 193378878 /nfs/dbraw/zinc/37/88/78/193378878.db2.gz AHJQGHRJKWYKHO-SCZZXKLOSA-N 1 0 315.186 2.398 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094562991 193379821 /nfs/dbraw/zinc/37/98/21/193379821.db2.gz XUODSRCPPFWWTQ-CMPLNLGQSA-N 1 0 313.195 2.202 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)O1 ZINC000094570374 193380839 /nfs/dbraw/zinc/38/08/39/193380839.db2.gz LGQVJTJXROJAGZ-KWQFWETISA-N 1 0 320.723 2.386 10 0 DEAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094567656 193380885 /nfs/dbraw/zinc/38/08/85/193380885.db2.gz YGEHPTPTHIGSCX-PWSUYJOCSA-N 1 0 317.216 2.458 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)O1 ZINC000094564342 193381027 /nfs/dbraw/zinc/38/10/27/193381027.db2.gz QUBXFBLAKBXESO-QWRGUYRKSA-N 1 0 304.268 2.030 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(Br)ccc1O ZINC000094573694 193381603 /nfs/dbraw/zinc/38/16/03/193381603.db2.gz ZXLNGUNVHLOLSV-QMMMGPOBSA-N 1 0 301.184 2.468 10 0 DEAERO C[NH+](C)C(C)(C)CNC(=O)c1cccc(C(F)(F)F)c1N ZINC000094598951 193383190 /nfs/dbraw/zinc/38/31/90/193383190.db2.gz PNUJZDCRWRHASP-UHFFFAOYSA-N 1 0 303.328 2.358 10 0 DEAERO Brc1ccc2nc(NCC[NH+]3CCCCC3)nn2c1 ZINC000094604698 193383701 /nfs/dbraw/zinc/38/37/01/193383701.db2.gz FTVCJQXQMXDSLK-UHFFFAOYSA-N 1 0 324.226 2.390 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CNc1nc2c(Br)cccn2n1 ZINC000094604876 193383969 /nfs/dbraw/zinc/38/39/69/193383969.db2.gz AVSIXRPUHBQICS-JTQLQIEISA-N 1 0 324.226 2.388 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2nc3c(Br)cccn3n2)C1 ZINC000094608429 193384577 /nfs/dbraw/zinc/38/45/77/193384577.db2.gz MVABZGFDRMBUMK-NXEZZACHSA-N 1 0 324.226 2.055 10 0 DEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1c1nc2ccc(Br)cn2n1 ZINC000094608376 193384585 /nfs/dbraw/zinc/38/45/85/193384585.db2.gz UDJDIOMNEPZKPP-KOLCDFICSA-N 1 0 324.226 2.198 10 0 DEAERO Cc1cc(C[NH3+])cc(C)c1O[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634106 193385289 /nfs/dbraw/zinc/38/52/89/193385289.db2.gz PEUKGEOCCSVEOT-CABCVRRESA-N 1 0 311.447 2.497 10 0 DEAERO CCOc1ccc([C@H]([NH3+])[C@H]2COCCO2)c(Br)c1 ZINC000094930819 193406322 /nfs/dbraw/zinc/40/63/22/193406322.db2.gz BSEKVLMOCKEGKH-OLZOCXBDSA-N 1 0 316.195 2.263 10 0 DEAERO CCC[NH2+][C@@H](Cc1nc(C)c(C)s1)[C@H]1CN(CC)CCO1 ZINC000094974589 193409409 /nfs/dbraw/zinc/40/94/09/193409409.db2.gz PUXAJOXHHAJXPC-LSDHHAIUSA-N 1 0 311.495 2.391 10 0 DEAERO Cc1cc2cn[nH]c2c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000266078188 205081091 /nfs/dbraw/zinc/08/10/91/205081091.db2.gz MEGWBOWSHZIKEC-JSGCOSHPSA-N 1 0 300.406 2.426 10 0 DEAERO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)[nH]c2c1C(=O)CCC2 ZINC000266103258 205099720 /nfs/dbraw/zinc/09/97/20/205099720.db2.gz SITOPOPQRDDRKT-YPMHNXCESA-N 1 0 317.433 2.397 10 0 DEAERO c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@H]1COCCN1)CCCC2 ZINC000530220127 284376912 /nfs/dbraw/zinc/37/69/12/284376912.db2.gz IZXVZSKHXNYCNQ-FUHWJXTLSA-N 1 0 316.445 2.357 10 0 DEAERO C[NH2+][C@H](CCc1ccccn1)c1c(Br)cnn1C ZINC000097461513 193722124 /nfs/dbraw/zinc/72/21/24/193722124.db2.gz RICZQTJYJZWZCL-GFCCVEGCSA-N 1 0 309.211 2.471 10 0 DEAERO CCc1cccc(CC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000153812774 291576960 /nfs/dbraw/zinc/57/69/60/291576960.db2.gz JBQOZLJNIRTQJU-HOTGVXAUSA-N 1 0 318.461 2.407 10 0 DEAERO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000019981998 182173189 /nfs/dbraw/zinc/17/31/89/182173189.db2.gz SBMNLRPKZMUEIL-LBPRGKRZSA-N 1 0 305.447 2.381 10 0 DEAERO CN(c1ccc(C[NH3+])cc1)S(=O)(=O)CCc1ccccc1 ZINC000020225017 182198814 /nfs/dbraw/zinc/19/88/14/182198814.db2.gz NFHMEPQLYKJKHY-UHFFFAOYSA-N 1 0 304.415 2.154 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccc(Br)cc1 ZINC000160059982 197382683 /nfs/dbraw/zinc/38/26/83/197382683.db2.gz UHQPISRZKMXGIO-OPQQBVKSSA-N 1 0 311.223 2.482 10 0 DEAERO CO[C@]1(C[NH2+][C@H](C)c2ccc(Br)o2)CCOC1 ZINC000160086684 197384746 /nfs/dbraw/zinc/38/47/46/197384746.db2.gz WZEPHUOBSUQNJI-SKDRFNHKSA-N 1 0 304.184 2.498 10 0 DEAERO CC[NH2+]Cc1nnnn1-c1c(C)cc(C)cc1Br ZINC000159949195 197375674 /nfs/dbraw/zinc/37/56/74/197375674.db2.gz YNTPCUOPUWYDDG-UHFFFAOYSA-N 1 0 310.199 2.151 10 0 DEAERO CCOc1cc(C[NH2+]CCCOC(C)C)ccc1OCCO ZINC000020934867 182255055 /nfs/dbraw/zinc/25/50/55/182255055.db2.gz AQAGNTUCSMLALN-UHFFFAOYSA-N 1 0 311.422 2.361 10 0 DEAERO Cc1cccc([C@H](C[NH3+])N2CCN(c3nccs3)CC2)c1 ZINC000022153980 182311377 /nfs/dbraw/zinc/31/13/77/182311377.db2.gz RCPZLDGRNKFELP-HNNXBMFYSA-N 1 0 302.447 2.274 10 0 DEAERO CCCOc1ccc(OCCN2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000155300069 291603533 /nfs/dbraw/zinc/60/35/33/291603533.db2.gz IWFRMVTWFMLJGM-SFHVURJKSA-N 1 0 322.449 2.117 10 0 DEAERO C[C@@H](Sc1ncccn1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000031866573 182626784 /nfs/dbraw/zinc/62/67/84/182626784.db2.gz WFKRALRMNQZGKH-LLVKDONJSA-N 1 0 322.478 2.383 10 0 DEAERO COc1ccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000036266749 182811030 /nfs/dbraw/zinc/81/10/30/182811030.db2.gz FUWAWGCTVLIFPL-UHFFFAOYSA-N 1 0 312.435 2.025 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000036297534 182813812 /nfs/dbraw/zinc/81/38/12/182813812.db2.gz IIQFWHPGBUGCCM-CQSZACIVSA-N 1 0 308.378 2.112 10 0 DEAERO COc1ccc([C@@H](O)C2CC[NH2+]CC2)c(Br)c1 ZINC000037445638 182894466 /nfs/dbraw/zinc/89/44/66/182894466.db2.gz UXIHUMRPSGBRRI-ZDUSSCGKSA-N 1 0 300.196 2.491 10 0 DEAERO COC(=O)CC1(CC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCCC1 ZINC000458215340 248212164 /nfs/dbraw/zinc/21/21/64/248212164.db2.gz MVMPSZDNCYNEFI-OAHLLOKOSA-N 1 0 324.465 2.348 10 0 DEAERO CC[C@H]([NH2+]Cc1c(Br)cnn1C)C1CCOCC1 ZINC000487306339 248753449 /nfs/dbraw/zinc/75/34/49/248753449.db2.gz WUFVAYUBISOHAM-LBPRGKRZSA-N 1 0 316.243 2.477 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(Cl)c3cccnc23)C1 ZINC000040634091 183111786 /nfs/dbraw/zinc/11/17/86/183111786.db2.gz FOOOJBGADONOGS-NOZJJQNGSA-N 1 0 305.765 2.204 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(Br)ccc2C)C1 ZINC000040633597 183111969 /nfs/dbraw/zinc/11/19/69/183111969.db2.gz XXVXRRWKIDAVHI-ZYHUDNBSSA-N 1 0 313.195 2.073 10 0 DEAERO NNc1[nH+]cnc(N(Cc2ccccc2)c2ccccn2)c1N ZINC000040783882 183134021 /nfs/dbraw/zinc/13/40/21/183134021.db2.gz SSXOOCRAADVPFL-UHFFFAOYSA-N 1 0 307.361 2.078 10 0 DEAERO C[C@H]1CC[N@H+](CCCC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000040718257 183123614 /nfs/dbraw/zinc/12/36/14/183123614.db2.gz WOOGJEZGPUPOFQ-LBPRGKRZSA-N 1 0 305.447 2.381 10 0 DEAERO Cc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c(Cl)c1 ZINC000040749878 183128861 /nfs/dbraw/zinc/12/88/61/183128861.db2.gz OMAPCEVRWFALRZ-YOGCLGLASA-N 1 0 314.838 2.291 10 0 DEAERO Cc1nn(-c2cccc(F)c2)c2ncnc(NCC[NH+](C)C)c12 ZINC000041471852 183193378 /nfs/dbraw/zinc/19/33/78/183193378.db2.gz FZUPZZJIRDMNSN-UHFFFAOYSA-N 1 0 314.368 2.237 10 0 DEAERO COCCNc1c2cc(F)ccc2[nH+]c(C)c1CC(=O)OC ZINC000041473511 183193521 /nfs/dbraw/zinc/19/35/21/183193521.db2.gz IJBNNTKGILKKMK-UHFFFAOYSA-N 1 0 306.337 2.456 10 0 DEAERO CCCNC(=O)[C@@H](C)Oc1c(Br)cccc1C[NH3+] ZINC000042411320 183265261 /nfs/dbraw/zinc/26/52/61/183265261.db2.gz HXDLXTFRPRTAJW-SECBINFHSA-N 1 0 315.211 2.201 10 0 DEAERO C[C@H]([NH3+])Cc1cccc(Br)c1OCc1ncon1 ZINC000042412822 183266739 /nfs/dbraw/zinc/26/67/39/183266739.db2.gz JHSGFWKCCWIAGT-QMMMGPOBSA-N 1 0 312.167 2.301 10 0 DEAERO COCC[NH2+]CCN(C)Cc1ccc(F)cc1Br ZINC000042427894 183269274 /nfs/dbraw/zinc/26/92/74/183269274.db2.gz JAYZCYQYJPIDDY-UHFFFAOYSA-N 1 0 319.218 2.256 10 0 DEAERO COc1ccc(CN(C)C[C@H](C)C(N)=[NH2+])cc1Br ZINC000042459875 183272724 /nfs/dbraw/zinc/27/27/24/183272724.db2.gz HKLVVQFSJSFFFN-VIFPVBQESA-N 1 0 314.227 2.462 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2Br)C1 ZINC000042374811 183260403 /nfs/dbraw/zinc/26/04/03/183260403.db2.gz VPGUMMXWLAJVMM-SECBINFHSA-N 1 0 301.159 2.022 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1cncc(Br)c1 ZINC000042371205 183260723 /nfs/dbraw/zinc/26/07/23/183260723.db2.gz VMLRUMRFJJJYRT-JTQLQIEISA-N 1 0 312.211 2.058 10 0 DEAERO CC[N@H+](CCCOc1ccc(C(N)=S)cc1)[C@H](C)COC ZINC000042765865 183306299 /nfs/dbraw/zinc/30/62/99/183306299.db2.gz AEMZPOMGRJIRMV-CYBMUJFWSA-N 1 0 310.463 2.447 10 0 DEAERO CC(=O)N1CCCN([C@H](c2ccc(Cl)cc2)[C@@H](C)[NH3+])CC1 ZINC000042947042 183320766 /nfs/dbraw/zinc/32/07/66/183320766.db2.gz VKNNYYFJGBFUDZ-WBMJQRKESA-N 1 0 309.841 2.283 10 0 DEAERO CS(=O)(=O)c1cccc(O[C@@H](C[NH3+])c2cccc(F)c2)c1 ZINC000042974199 183325027 /nfs/dbraw/zinc/32/50/27/183325027.db2.gz UPNBBFBQMXKLCG-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC(C(N)=O)CC1 ZINC000042975094 183325365 /nfs/dbraw/zinc/32/53/65/183325365.db2.gz ICVHTOFLJJWAOJ-CABCVRRESA-N 1 0 309.841 2.316 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CC(=O)NC1CC1 ZINC000043014411 183327611 /nfs/dbraw/zinc/32/76/11/183327611.db2.gz SYLSHAJZKYEIAD-HOCLYGCPSA-N 1 0 309.841 2.329 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(CCO)C1CC1 ZINC000043021729 183329355 /nfs/dbraw/zinc/32/93/55/183329355.db2.gz WUYLHAGOIDCMBY-QMTHXVAHSA-N 1 0 313.239 2.294 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CCS(=O)CC1 ZINC000043052237 183332501 /nfs/dbraw/zinc/33/25/01/183332501.db2.gz AJZUYSQENTXJLW-KBPBESRZSA-N 1 0 300.855 2.183 10 0 DEAERO CCN(CC(F)(F)F)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000042782185 183308384 /nfs/dbraw/zinc/30/83/84/183308384.db2.gz XOAPXSBQHJRTRX-SECBINFHSA-N 1 0 310.341 2.279 10 0 DEAERO CCC[NH2+][C@H](C)c1ccccc1NS(=O)(=O)CCOC ZINC000042808998 183311612 /nfs/dbraw/zinc/31/16/12/183311612.db2.gz BLYOPNNAOOELJS-GFCCVEGCSA-N 1 0 300.424 2.135 10 0 DEAERO C[NH+](C)C(C)(C)CNC(=O)c1ccc(Br)c(N)c1 ZINC000043411057 183359755 /nfs/dbraw/zinc/35/97/55/183359755.db2.gz RGLOTHXPSMSAAZ-UHFFFAOYSA-N 1 0 314.227 2.101 10 0 DEAERO Nc1cc(N)nc(S[C@@H](C[NH3+])c2ccc(Cl)s2)n1 ZINC000043258277 183348143 /nfs/dbraw/zinc/34/81/43/183348143.db2.gz JJKDDBWNKZOZFT-LURJTMIESA-N 1 0 301.828 2.148 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N1CCN(C)CC1 ZINC000043258593 183348450 /nfs/dbraw/zinc/34/84/50/183348450.db2.gz BQAMDGSPYVZYIT-BXKDBHETSA-N 1 0 318.284 2.146 10 0 DEAERO C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300587 183352212 /nfs/dbraw/zinc/35/22/12/183352212.db2.gz SRQFIDCGFGIHCR-ZYHUDNBSSA-N 1 0 318.236 2.144 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1Cl ZINC000043090164 183334988 /nfs/dbraw/zinc/33/49/88/183334988.db2.gz ZKXPKFHBOABTDG-JMCQJSRRSA-N 1 0 310.810 2.186 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N1CCN(C)CC1 ZINC000043090412 183335999 /nfs/dbraw/zinc/33/59/99/183335999.db2.gz JYNFPTPLJWRGFL-RISCZKNCSA-N 1 0 312.255 2.085 10 0 DEAERO C[NH2+]Cc1cc(Cl)c(OCC(=O)OC(C)C)c(OC)c1 ZINC000043445937 183364045 /nfs/dbraw/zinc/36/40/45/183364045.db2.gz HUADLYFIFYKIQE-UHFFFAOYSA-N 1 0 301.770 2.398 10 0 DEAERO CN(C)C(=O)CCCOc1ccc(Br)cc1C[NH3+] ZINC000043447991 183364092 /nfs/dbraw/zinc/36/40/92/183364092.db2.gz VYOMXLJIOZREBK-UHFFFAOYSA-N 1 0 315.211 2.155 10 0 DEAERO CC[NH2+]Cc1cc(Cl)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC000043623990 183375854 /nfs/dbraw/zinc/37/58/54/183375854.db2.gz DERSJFCKLSICRN-SECBINFHSA-N 1 0 301.770 2.398 10 0 DEAERO COC(=O)[C@H](C)Oc1c(Br)cccc1C[C@@H](C)[NH3+] ZINC000043631984 183375967 /nfs/dbraw/zinc/37/59/67/183375967.db2.gz VWTBOXJJMBRMPZ-BDAKNGLRSA-N 1 0 316.195 2.279 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1O[C@H](C)C(=O)OC ZINC000043641288 183377178 /nfs/dbraw/zinc/37/71/78/183377178.db2.gz ZKMHBFRSALTXHZ-MRVPVSSYSA-N 1 0 302.168 2.109 10 0 DEAERO CCC(CC)NC(=O)[C@@H](C)[N@H+](CCC(N)=S)CC(C)C ZINC000043418460 183360957 /nfs/dbraw/zinc/36/09/57/183360957.db2.gz ZKFHCTXAIBZKDV-GFCCVEGCSA-N 1 0 301.500 2.314 10 0 DEAERO CC(C)CCNC(=O)[C@@H](C)[N@H+](CCC(N)=S)CC(C)C ZINC000043418456 183361191 /nfs/dbraw/zinc/36/11/91/183361191.db2.gz DJQLGBSMGHUYQQ-CYBMUJFWSA-N 1 0 301.500 2.171 10 0 DEAERO CCCCOCCO[C@@H]1CC2(CC[C@H]1[NH2+]CC)OCCO2 ZINC000044070641 183393268 /nfs/dbraw/zinc/39/32/68/183393268.db2.gz APVYWAMVMFWLSZ-HUUCEWRRSA-N 1 0 301.427 2.093 10 0 DEAERO COC(=O)CCNC(=O)C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000102685579 193916309 /nfs/dbraw/zinc/91/63/09/193916309.db2.gz JGLFYIBATYGGME-CQSZACIVSA-N 1 0 320.433 2.215 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1)[S@](C)=O ZINC000159789302 197364819 /nfs/dbraw/zinc/36/48/19/197364819.db2.gz XJGVFYJOBZOWQB-ZKANADHPSA-N 1 0 308.216 2.445 10 0 DEAERO CN(C)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000104970462 194060100 /nfs/dbraw/zinc/06/01/00/194060100.db2.gz RMOJGQNCRFEKJC-MRXNPFEDSA-N 1 0 302.422 2.455 10 0 DEAERO COCc1ccccc1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105122557 194075517 /nfs/dbraw/zinc/07/55/17/194075517.db2.gz DQWUKZQUSTVNHP-QGZVFWFLSA-N 1 0 317.433 2.213 10 0 DEAERO C[C@@H](CNC(=O)N(C)Cc1ccc(Cl)nc1)[N@H+](C)C1CC1 ZINC000105268235 194090141 /nfs/dbraw/zinc/09/01/41/194090141.db2.gz IPRGLYNLBUJBGG-NSHDSACASA-N 1 0 310.829 2.359 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)N(C)Cc2ccccc2C)c1 ZINC000105881729 194156306 /nfs/dbraw/zinc/15/63/06/194156306.db2.gz MSNZBOVUXWDNNZ-MRXNPFEDSA-N 1 0 314.433 2.137 10 0 DEAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCC(C)CC3)C2)c1 ZINC000105899427 194164074 /nfs/dbraw/zinc/16/40/74/194164074.db2.gz GOGKVTODGFMBNQ-DLBZAZTESA-N 1 0 318.465 2.475 10 0 DEAERO CC(C)c1cccc(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000105927490 194173369 /nfs/dbraw/zinc/17/33/69/194173369.db2.gz HJIGVWUVCZSMIA-QGZVFWFLSA-N 1 0 319.449 2.011 10 0 DEAERO COc1ccc(C[C@H](C)NC(=O)CCCC[NH+](C)C)cc1OC ZINC000552757459 291726051 /nfs/dbraw/zinc/72/60/51/291726051.db2.gz KIXJJKQKKIAOCU-AWEZNQCLSA-N 1 0 322.449 2.483 10 0 DEAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000049641040 183750784 /nfs/dbraw/zinc/75/07/84/183750784.db2.gz GWRGGHVWMWKDJX-JTQLQIEISA-N 1 0 324.324 2.079 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NCc2ccc(C)s2)cc1 ZINC000050226857 183778497 /nfs/dbraw/zinc/77/84/97/183778497.db2.gz IHMRODVSLDMXKD-UHFFFAOYSA-N 1 0 310.444 2.254 10 0 DEAERO [NH3+][C@@H]1CCN(Cc2nnc(-c3ccc(Br)cc3)o2)C1 ZINC000050243755 183779024 /nfs/dbraw/zinc/77/90/24/183779024.db2.gz KNWIVIQHFVTTLC-LLVKDONJSA-N 1 0 323.194 2.032 10 0 DEAERO CCNc1cc(C(=O)N2CCC([NH+](C)C)CC2)cc(Cl)n1 ZINC000050754634 183802789 /nfs/dbraw/zinc/80/27/89/183802789.db2.gz AGAVRCQJRAWKGK-UHFFFAOYSA-N 1 0 310.829 2.333 10 0 DEAERO Brc1cc2c(cc1C[NH2+][C@@H]1CCCOC1)OCO2 ZINC000109544680 194273068 /nfs/dbraw/zinc/27/30/68/194273068.db2.gz FLTFXYMCKUCDMT-SNVBAGLBSA-N 1 0 314.179 2.446 10 0 DEAERO CCCC[C@H](CC)C(=O)N1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000109465987 194266915 /nfs/dbraw/zinc/26/69/15/194266915.db2.gz RLLBWEPDYQCJOX-ZDUSSCGKSA-N 1 0 313.511 2.412 10 0 DEAERO CC[C@@H](C(N)=S)[NH+]1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000109469228 194267553 /nfs/dbraw/zinc/26/75/53/194267553.db2.gz SGDLSMCWFIHSCI-INIZCTEOSA-N 1 0 305.491 2.486 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2cnc3ccccn23)CC1 ZINC000534290589 284829925 /nfs/dbraw/zinc/82/99/25/284829925.db2.gz WIVLVDYJGNTUPJ-UHFFFAOYSA-N 1 0 300.406 2.186 10 0 DEAERO CC(C)(O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000109831606 194290924 /nfs/dbraw/zinc/29/09/24/194290924.db2.gz HSXSOOUHIJXBSJ-NSHDSACASA-N 1 0 311.813 2.156 10 0 DEAERO CN(C(=O)c1cccc(F)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000155990980 197078742 /nfs/dbraw/zinc/07/87/42/197078742.db2.gz HROCLCYVSRHIPG-SECBINFHSA-N 1 0 315.186 2.412 10 0 DEAERO C[NH2+]C[C@H](Cc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000052949773 183881672 /nfs/dbraw/zinc/88/16/72/183881672.db2.gz XLVHPHAYUVTYIR-RYUDHWBXSA-N 1 0 319.829 2.292 10 0 DEAERO CC[C@H]1CN(C2N=NC(=S)N2c2ccccc2)CC[N@@H+]1C ZINC000110732192 194354368 /nfs/dbraw/zinc/35/43/68/194354368.db2.gz JPPZMXRMSDXFMI-LBPRGKRZSA-N 1 0 303.435 2.086 10 0 DEAERO CCC[NH2+][C@H](CCN1CCS(=O)CC1)c1ccc(F)cc1 ZINC000053982336 183918762 /nfs/dbraw/zinc/91/87/62/183918762.db2.gz GEPVXSFIEIZGEE-MRXNPFEDSA-N 1 0 312.454 2.321 10 0 DEAERO COc1ccc([C@H](C[NH3+])N2CCOC[C@@H]2C)c(Cl)c1OC ZINC000110828053 194362333 /nfs/dbraw/zinc/36/23/33/194362333.db2.gz XWKHLADBKRZFOM-JQWIXIFHSA-N 1 0 314.813 2.078 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(C)cc1OCC(=O)NCC(F)(F)F ZINC000110960315 194374097 /nfs/dbraw/zinc/37/40/97/194374097.db2.gz IZZNHCNDEINCNT-JTQLQIEISA-N 1 0 304.312 2.333 10 0 DEAERO CCOCC[N@H+](CC)CCC[C@](C)(NC(C)C)C(=O)OC ZINC000111121712 194391751 /nfs/dbraw/zinc/39/17/51/194391751.db2.gz ZCOLUPXKZYAXKH-INIZCTEOSA-N 1 0 302.459 2.055 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cc(N)ccc1Br ZINC000111129711 194393514 /nfs/dbraw/zinc/39/35/14/194393514.db2.gz QJAFDXRJLPTGIK-UHFFFAOYSA-N 1 0 314.227 2.055 10 0 DEAERO CN(C)CC[N@H+](C)CCCC(=O)Nc1cc(Cl)ccc1N ZINC000111130287 194393638 /nfs/dbraw/zinc/39/36/38/194393638.db2.gz SOYLMQAGXHLFAO-UHFFFAOYSA-N 1 0 312.845 2.134 10 0 DEAERO CC[NH+](CC)CCNC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000057337511 184033956 /nfs/dbraw/zinc/03/39/56/184033956.db2.gz IUUAKKRQSZLBST-OAHLLOKOSA-N 1 0 318.465 2.251 10 0 DEAERO CCOc1cc(C[NH2+]CCOC)cc(Br)c1O ZINC000057901201 184061212 /nfs/dbraw/zinc/06/12/12/184061212.db2.gz BEBHBITVSWSLGN-UHFFFAOYSA-N 1 0 304.184 2.289 10 0 DEAERO O=C(N[C@@H]1COc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000058577249 184122778 /nfs/dbraw/zinc/12/27/78/184122778.db2.gz OZNPSSUTXNDCHS-OAHLLOKOSA-N 1 0 301.390 2.046 10 0 DEAERO CCc1ccccc1NC(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000061041546 184160983 /nfs/dbraw/zinc/16/09/83/184160983.db2.gz JUZKJYFYLDKJEL-UHFFFAOYSA-N 1 0 301.434 2.358 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2F)cc1 ZINC000061094194 184161658 /nfs/dbraw/zinc/16/16/58/184161658.db2.gz UKXHQPJHIUFRDL-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1C(N)=S)[N@H+](C)CC1CCC1 ZINC000061457956 184171482 /nfs/dbraw/zinc/17/14/82/184171482.db2.gz LRGSRWWJXONJQE-NSHDSACASA-N 1 0 305.447 2.380 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000061270421 184167150 /nfs/dbraw/zinc/16/71/50/184167150.db2.gz RROCBSLOAMOBPA-VIFPVBQESA-N 1 0 320.361 2.010 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1cc(Br)ccc1F ZINC000061267595 184167353 /nfs/dbraw/zinc/16/73/53/184167353.db2.gz OSMURLZCCQGPTN-SECBINFHSA-N 1 0 317.202 2.450 10 0 DEAERO CC[NH2+]CCC(=O)NCc1cc(F)ccc1Br ZINC000061296964 184167892 /nfs/dbraw/zinc/16/78/92/184167892.db2.gz MRUKSESFIFYPAU-UHFFFAOYSA-N 1 0 303.175 2.204 10 0 DEAERO [NH3+]C[C@@]1(N2CCN(Cc3ccccc3)CC2)CCCSC1 ZINC000061589916 184175868 /nfs/dbraw/zinc/17/58/68/184175868.db2.gz OZQLGOUGWHJFDD-KRWDZBQOSA-N 1 0 305.491 2.029 10 0 DEAERO CCCn1c(S[C@@H](c2ccccc2C)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594847 184176658 /nfs/dbraw/zinc/17/66/58/184176658.db2.gz QFBFDALLPCRQOB-WCQYABFASA-N 1 0 306.435 2.470 10 0 DEAERO CCCn1c(S[C@H](c2ccc(F)cc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594944 184176672 /nfs/dbraw/zinc/17/66/72/184176672.db2.gz XGSHLGAKDSNSME-SKDRFNHKSA-N 1 0 310.398 2.301 10 0 DEAERO Cc1cccc(C)c1OCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605604 184176885 /nfs/dbraw/zinc/17/68/85/184176885.db2.gz HHEZZPIPCPCRCM-UHFFFAOYSA-N 1 0 302.418 2.379 10 0 DEAERO COc1ccc(CCC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1F ZINC000061604989 184177516 /nfs/dbraw/zinc/17/75/16/184177516.db2.gz IOSOXGQVDWYNAX-UHFFFAOYSA-N 1 0 320.408 2.464 10 0 DEAERO Cc1cc(C)cc(S(=O)(=O)NCc2ccccc2C[NH3+])c1 ZINC000061841338 184189495 /nfs/dbraw/zinc/18/94/95/184189495.db2.gz ADPOKAUREAJBHI-UHFFFAOYSA-N 1 0 304.415 2.241 10 0 DEAERO C[C@H](c1nc(-c2ccc(F)cc2Cl)no1)N1CC[NH2+]CC1 ZINC000061845124 184189665 /nfs/dbraw/zinc/18/96/65/184189665.db2.gz BFAMMNYMGOHZSF-SECBINFHSA-N 1 0 310.760 2.495 10 0 DEAERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2N)CCCO1 ZINC000061912929 184195118 /nfs/dbraw/zinc/19/51/18/184195118.db2.gz OLKCLOLSTLOAFK-NSHDSACASA-N 1 0 311.813 2.362 10 0 DEAERO C[NH2+]CC1(CN2CCN(CC(F)(F)F)CC2)CCCCC1 ZINC000061947576 184197731 /nfs/dbraw/zinc/19/77/31/184197731.db2.gz LBPWOMCIQRERMT-UHFFFAOYSA-N 1 0 307.404 2.336 10 0 DEAERO C[C@@H](C(=O)N1CC[NH2+]CC1)N(C)[C@@H](C)c1ccccc1Cl ZINC000062014441 184201351 /nfs/dbraw/zinc/20/13/51/184201351.db2.gz STCHARNUQBVWCB-STQMWFEESA-N 1 0 309.841 2.153 10 0 DEAERO CCCN[C@@](C)(CCC[N@H+](C)CCCOC)C(=O)OCC ZINC000062034755 184202949 /nfs/dbraw/zinc/20/29/49/184202949.db2.gz KJSFMNPJDHNHDR-INIZCTEOSA-N 1 0 302.459 2.056 10 0 DEAERO CCCN[C@](C)(CCCC[N@H+](C)CCCOC)C(=O)OC ZINC000062034982 184203112 /nfs/dbraw/zinc/20/31/12/184203112.db2.gz IYOTXWSXZRHXAW-MRXNPFEDSA-N 1 0 302.459 2.056 10 0 DEAERO COC(=O)[C@H](C)Oc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000062704515 184248696 /nfs/dbraw/zinc/24/86/96/184248696.db2.gz DRLWYOQLFVGHQE-IUCAKERBSA-N 1 0 316.195 2.279 10 0 DEAERO CC[C@@H]([NH3+])Cc1ccc(OCC(=O)OC)c(Br)c1 ZINC000062705055 184248781 /nfs/dbraw/zinc/24/87/81/184248781.db2.gz UETOGECXXMGFKE-SNVBAGLBSA-N 1 0 316.195 2.281 10 0 DEAERO CC(C)C[NH2+]Cc1c(N2CCC[C@H]2CO)nc2sccn12 ZINC000062736780 184251512 /nfs/dbraw/zinc/25/15/12/184251512.db2.gz ZFUCPNQEUVJYJT-LBPRGKRZSA-N 1 0 308.451 2.103 10 0 DEAERO CC(C)N(CCO)c1nc2sccn2c1C[NH2+]C(C)(C)C ZINC000062737595 184251954 /nfs/dbraw/zinc/25/19/54/184251954.db2.gz VUCBXPICLQLWQU-UHFFFAOYSA-N 1 0 310.467 2.491 10 0 DEAERO CC[C@]1(C(=O)Nc2ccc3c(c2)NC(=O)CS3)CC[NH2+]C1 ZINC000062893073 184258344 /nfs/dbraw/zinc/25/83/44/184258344.db2.gz UDTIPHBHKGOARB-HNNXBMFYSA-N 1 0 305.403 2.059 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000062657515 184246873 /nfs/dbraw/zinc/24/68/73/184246873.db2.gz AWAJJOJSNMBJOZ-KCJUWKMLSA-N 1 0 306.259 2.160 10 0 DEAERO Cn1ccnc1CC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000062702754 184247923 /nfs/dbraw/zinc/24/79/23/184247923.db2.gz GPXAUUBUOYHTCF-UHFFFAOYSA-N 1 0 310.195 2.221 10 0 DEAERO C[NH+](C)[C@H]1CCN(CCNc2cccc(Br)c2)C1 ZINC000062974064 184263819 /nfs/dbraw/zinc/26/38/19/184263819.db2.gz VKOABDLIQHXLHS-AWEZNQCLSA-N 1 0 312.255 2.497 10 0 DEAERO NNc1ccc(Cl)c(CN2CCOc3ccccc3C2)[nH+]1 ZINC000063013393 184266661 /nfs/dbraw/zinc/26/66/61/184266661.db2.gz IIMLNACKJVRHQZ-UHFFFAOYSA-N 1 0 304.781 2.415 10 0 DEAERO Cc1csc(NC(=O)CN2CCC[C@H](C[NH2+]C(C)C)C2)n1 ZINC000063139038 184273160 /nfs/dbraw/zinc/27/31/60/184273160.db2.gz YOIBFGAVJGPHBO-CYBMUJFWSA-N 1 0 310.467 2.100 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NCc2ccsc2)cc1 ZINC000063147603 184273799 /nfs/dbraw/zinc/27/37/99/184273799.db2.gz RWSWQVYQWIBQRK-UHFFFAOYSA-N 1 0 310.444 2.336 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000063175823 184276488 /nfs/dbraw/zinc/27/64/88/184276488.db2.gz GGEREEBUWAXNRJ-UWVGGRQHSA-N 1 0 309.218 2.152 10 0 DEAERO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H](C)OC)c1 ZINC000555121644 291787186 /nfs/dbraw/zinc/78/71/86/291787186.db2.gz GRSOEBHIBXDTPS-JHJVBQTASA-N 1 0 322.405 2.122 10 0 DEAERO CC[NH2+][C@](C)(C[C@H](C)n1ccnc1-c1cccs1)C(N)=O ZINC000068649627 184496432 /nfs/dbraw/zinc/49/64/32/184496432.db2.gz ANHIPYUVTKDVOD-XHDPSFHLSA-N 1 0 306.435 2.416 10 0 DEAERO CCc1ccccc1NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113269474 194576211 /nfs/dbraw/zinc/57/62/11/194576211.db2.gz JHKCEENYEDFLQT-GOEBONIOSA-N 1 0 301.434 2.356 10 0 DEAERO O=C([C@H]1COc2ccccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000113185451 194561722 /nfs/dbraw/zinc/56/17/22/194561722.db2.gz OPSFJRKAWVRWAZ-KRWDZBQOSA-N 1 0 314.429 2.497 10 0 DEAERO O=C1[C@H]([NH2+][C@@H]2CCCc3ccccc32)CCN1C1CCOCC1 ZINC000358190445 285003696 /nfs/dbraw/zinc/00/36/96/285003696.db2.gz NXMMTRVINIUMAN-QZTJIDSGSA-N 1 0 314.429 2.434 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)NCC[N@H+]3CC=CCC3)cc2)c1 ZINC000537722749 285012795 /nfs/dbraw/zinc/01/27/95/285012795.db2.gz NDDGWYJFKFGWMQ-UHFFFAOYSA-N 1 0 310.401 2.172 10 0 DEAERO COCCN1CCC[N@H+](C[C@H](C)Cc2ccccc2)CC1=O ZINC000191698919 285017680 /nfs/dbraw/zinc/01/76/80/285017680.db2.gz ARPDDVHDBCBVDU-MRXNPFEDSA-N 1 0 304.434 2.046 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)COc1ccc(F)cc1Cl ZINC000538314881 285031372 /nfs/dbraw/zinc/03/13/72/285031372.db2.gz TTYKHRVJEJMXFX-UHFFFAOYSA-N 1 0 302.777 2.268 10 0 DEAERO CC[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)C1CCOCC1 ZINC000538321087 285031902 /nfs/dbraw/zinc/03/19/02/285031902.db2.gz SRBUIWARWYPQAL-GFCCVEGCSA-N 1 0 323.462 2.365 10 0 DEAERO CCC[C@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000119995037 195076536 /nfs/dbraw/zinc/07/65/36/195076536.db2.gz KOAKQNQNFUDYDP-IRXDYDNUSA-N 1 0 304.434 2.187 10 0 DEAERO COC[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000120123620 195100471 /nfs/dbraw/zinc/10/04/71/195100471.db2.gz NIVDRVNXYSMYNO-JKSUJKDBSA-N 1 0 309.454 2.071 10 0 DEAERO COCCOCCCCNc1cc(C)[nH+]c(C)c1C(N)=S ZINC000159312043 197343838 /nfs/dbraw/zinc/34/38/38/197343838.db2.gz CHONISBONDFGFP-UHFFFAOYSA-N 1 0 311.451 2.188 10 0 DEAERO CCOc1ccc(Cl)cc1NC(=O)[C@H]([NH3+])CCCOC ZINC000159275916 197341906 /nfs/dbraw/zinc/34/19/06/197341906.db2.gz WIBMSCLIEGVYKE-LLVKDONJSA-N 1 0 300.786 2.431 10 0 DEAERO [NH3+][C@H](C[S@](=O)c1c(Cl)cccc1Cl)[C@@H]1CCOC1 ZINC000159154211 197331144 /nfs/dbraw/zinc/33/11/44/197331144.db2.gz AHAWBMBKAFKBAN-LPVDOIAESA-N 1 0 308.230 2.465 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCCCC2)cc(C)c1F ZINC000159056225 197322864 /nfs/dbraw/zinc/32/28/64/197322864.db2.gz RFNBFHCEELRQKB-UHFFFAOYSA-N 1 0 314.426 2.418 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCCC2)cc(C[NH2+]C(C)C)c1F ZINC000159048272 197321960 /nfs/dbraw/zinc/32/19/60/197321960.db2.gz GEBVNZQSRJVAOU-UHFFFAOYSA-N 1 0 314.426 2.417 10 0 DEAERO CCC[NH2+][C@H](C[S@](=O)c1ccc(F)cc1F)[C@@H]1CCOC1 ZINC000159042865 197322091 /nfs/dbraw/zinc/32/20/91/197322091.db2.gz LHSOXTNWIHSBJH-HQHPYACNSA-N 1 0 317.401 2.477 10 0 DEAERO CC[NH2+][C@H](C[S@@](=O)c1ccc(F)cc1F)[C@@H]1CCOC1 ZINC000159039849 197321631 /nfs/dbraw/zinc/32/16/31/197321631.db2.gz CYTRKYIIIWQGQO-MZJFNTNISA-N 1 0 303.374 2.087 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(-c3ccccc3)nn2)C1 ZINC000158952620 197313809 /nfs/dbraw/zinc/31/38/09/197313809.db2.gz YTVZBELTLSRMKC-AWEZNQCLSA-N 1 0 311.389 2.311 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(-n3cccn3)c2)[C@@H](C)C1 ZINC000158908409 197310659 /nfs/dbraw/zinc/31/06/59/197310659.db2.gz ZMWRGCTVBQWAMJ-YOEHRIQHSA-N 1 0 312.417 2.331 10 0 DEAERO COc1cnn(C)c1[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000158476863 197276249 /nfs/dbraw/zinc/27/62/49/197276249.db2.gz DKAJMGVMQYBQSG-LLVKDONJSA-N 1 0 310.195 2.434 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC000158464050 197275632 /nfs/dbraw/zinc/27/56/32/197275632.db2.gz WLKIHRYNGSGRDL-STQMWFEESA-N 1 0 300.399 2.025 10 0 DEAERO C[C@H]1C[C@@H](Nc2nc3ccc(Br)cn3n2)CC[N@@H+]1C ZINC000158444082 197273445 /nfs/dbraw/zinc/27/34/45/197273445.db2.gz YEEBLHYKBGULJI-ONGXEEELSA-N 1 0 324.226 2.386 10 0 DEAERO CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000158406200 197269532 /nfs/dbraw/zinc/26/95/32/197269532.db2.gz BLZFNXFMKQYUTC-ZYHUDNBSSA-N 1 0 301.312 2.442 10 0 DEAERO C[N@H+](CCCC(=O)Nc1ccc(Cl)c(N)c1)[C@H]1CCOC1 ZINC000158210738 197253193 /nfs/dbraw/zinc/25/31/93/197253193.db2.gz CDQNEGWUJRNAHO-LBPRGKRZSA-N 1 0 311.813 2.362 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2cccc(F)c2)CC1 ZINC000158222526 197254197 /nfs/dbraw/zinc/25/41/97/197254197.db2.gz WDIXVCVVLFDZHA-UHFFFAOYSA-N 1 0 321.396 2.001 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)OCC)nc1 ZINC000541147531 285156242 /nfs/dbraw/zinc/15/62/42/285156242.db2.gz KQCNUXPOJBHNBG-AWEZNQCLSA-N 1 0 305.378 2.071 10 0 DEAERO C[C@H](C[NH3+])C[S@@](=O)Cc1cccc(F)c1Br ZINC000158002786 197234285 /nfs/dbraw/zinc/23/42/85/197234285.db2.gz GSPZREFRTCYRIW-BCTVWOGZSA-N 1 0 308.216 2.432 10 0 DEAERO C[C@H](C[NH3+])C[S@](=O)Cc1cccc(F)c1Br ZINC000158003071 197233634 /nfs/dbraw/zinc/23/36/34/197233634.db2.gz GSPZREFRTCYRIW-VPTHRUTESA-N 1 0 308.216 2.432 10 0 DEAERO Cc1cc(-n2cc(Br)cn2)c(C(N)=S)c(C)[nH+]1 ZINC000157525548 197194167 /nfs/dbraw/zinc/19/41/67/197194167.db2.gz QSTCBUMTTRMWGF-UHFFFAOYSA-N 1 0 311.208 2.281 10 0 DEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc3c(c2)OCCO3)CCS1 ZINC000157406110 197185740 /nfs/dbraw/zinc/18/57/40/197185740.db2.gz SWEHBSMPAZLSRR-KGLIPLIRSA-N 1 0 308.447 2.285 10 0 DEAERO CC[NH2+]C[C@@](C)(O)COc1cc(F)cc(Br)c1 ZINC000157229215 197171393 /nfs/dbraw/zinc/17/13/93/197171393.db2.gz XTSIIGZABBWESR-GFCCVEGCSA-N 1 0 306.175 2.328 10 0 DEAERO O[C@H](Cc1cccc(F)c1Br)C1CC[NH2+]CC1 ZINC000157134649 197164531 /nfs/dbraw/zinc/16/45/31/197164531.db2.gz OHOAPURPWNUSKC-GFCCVEGCSA-N 1 0 302.187 2.491 10 0 DEAERO COc1cccc(OC)c1CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000157123762 197163755 /nfs/dbraw/zinc/16/37/55/197163755.db2.gz TWNHUPDFDCNAQP-AWEZNQCLSA-N 1 0 322.449 2.339 10 0 DEAERO CCCNc1nc(Cl)nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000157115404 197163100 /nfs/dbraw/zinc/16/31/00/197163100.db2.gz CIKCXYKSLKIHFR-MNOVXSKESA-N 1 0 310.833 2.020 10 0 DEAERO Cc1cc(OC[C@H](O)C[NH2+]C(C)C)ccc1Br ZINC000157055643 197158172 /nfs/dbraw/zinc/15/81/72/197158172.db2.gz FLMKQYYKSONBAI-LLVKDONJSA-N 1 0 302.212 2.495 10 0 DEAERO CCCCN(CCCC)C(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000156603302 197126187 /nfs/dbraw/zinc/12/61/87/197126187.db2.gz CTXNTPZOUOYPEY-UHFFFAOYSA-N 1 0 321.469 2.344 10 0 DEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)c1ccnc(C)n1 ZINC000156575109 197124969 /nfs/dbraw/zinc/12/49/69/197124969.db2.gz QAAXITDEDRBWLO-LLVKDONJSA-N 1 0 324.226 2.093 10 0 DEAERO COc1cccc2sc(C(=O)NC[C@@H](C)[NH+](C)C)c(N)c21 ZINC000156177579 197092991 /nfs/dbraw/zinc/09/29/91/197092991.db2.gz DWGOXSBLDAHFRE-SECBINFHSA-N 1 0 307.419 2.172 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ncc(Cl)cc1Cl ZINC000156184497 197093073 /nfs/dbraw/zinc/09/30/73/197093073.db2.gz WXMZLXQPIDKKNZ-PSASIEDQSA-N 1 0 317.220 2.139 10 0 DEAERO Cc1ccc(CCNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000156109719 197087100 /nfs/dbraw/zinc/08/71/00/197087100.db2.gz NKPNZQQPHWBGCJ-QGZVFWFLSA-N 1 0 318.465 2.352 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)CC[S@](=O)c2cccs2)cc1 ZINC000155970268 197078623 /nfs/dbraw/zinc/07/86/23/197078623.db2.gz ULCXNBPYGLWBOR-HXUWFJFHSA-N 1 0 308.428 2.343 10 0 DEAERO CC(C)c1ccc([S@](=O)CCC(=O)N(C)CCC[NH3+])cc1 ZINC000155953034 197076410 /nfs/dbraw/zinc/07/64/10/197076410.db2.gz ZKFVCUONRBNVAC-NRFANRHFSA-N 1 0 310.463 2.115 10 0 DEAERO COc1ccc(OCCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155812882 197075379 /nfs/dbraw/zinc/07/53/79/197075379.db2.gz HMKJPVFUUKFTBF-YOEHRIQHSA-N 1 0 320.433 2.309 10 0 DEAERO COc1cccc(C[C@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)n1 ZINC000558698067 291903324 /nfs/dbraw/zinc/90/33/24/291903324.db2.gz NFPIRJWXTHFZAY-SWLSCSKDSA-N 1 0 300.406 2.422 10 0 DEAERO CSc1nc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c2ccccn21 ZINC000155620541 197072508 /nfs/dbraw/zinc/07/25/08/197072508.db2.gz NKIOFKOYYQNTPT-RYUDHWBXSA-N 1 0 318.446 2.221 10 0 DEAERO Cc1nc(C)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)s1 ZINC000558790046 291905878 /nfs/dbraw/zinc/90/58/78/291905878.db2.gz UGOFLBYXKNMWRJ-HIFRSBDPSA-N 1 0 310.463 2.417 10 0 DEAERO CC(=O)Nc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1C ZINC000155382675 197049861 /nfs/dbraw/zinc/04/98/61/197049861.db2.gz JCWPUDRINXPBJS-GUYCJALGSA-N 1 0 317.433 2.412 10 0 DEAERO CC(=O)Nc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1C ZINC000155382591 197049431 /nfs/dbraw/zinc/04/94/31/197049431.db2.gz JCWPUDRINXPBJS-SUMWQHHRSA-N 1 0 317.433 2.412 10 0 DEAERO Cc1ccc(-c2nc(CCNC(=O)[C@@H]3CCC[C@H]3[NH3+])co2)cc1 ZINC000154889626 197002721 /nfs/dbraw/zinc/00/27/21/197002721.db2.gz JEBLBXLDFGNGPF-HZPDHXFCSA-N 1 0 313.401 2.436 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154960806 197008225 /nfs/dbraw/zinc/00/82/25/197008225.db2.gz RZKQZWABEBZPPU-CABCVRRESA-N 1 0 317.433 2.425 10 0 DEAERO COCc1nc(C)cc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000154920742 197005007 /nfs/dbraw/zinc/00/50/07/197005007.db2.gz FITOTYVXFVGKBM-CQSZACIVSA-N 1 0 304.438 2.385 10 0 DEAERO CC(C)[C@H](CNC(=O)NC[C@@H](O)C(C)C)[NH+]1CCC(C)CC1 ZINC000153461628 196880559 /nfs/dbraw/zinc/88/05/59/196880559.db2.gz GZLHGASEVXMHLA-JKSUJKDBSA-N 1 0 313.486 2.059 10 0 DEAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000120449581 195168412 /nfs/dbraw/zinc/16/84/12/195168412.db2.gz MHWVOEHIZFBHTH-LGWLGOQQSA-N 1 0 302.418 2.350 10 0 DEAERO Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(C)c1 ZINC000120570399 195192242 /nfs/dbraw/zinc/19/22/42/195192242.db2.gz GDBNRZPCQOGQFR-DLBZAZTESA-N 1 0 316.445 2.405 10 0 DEAERO COCC[N@@H+]1CCN(Cc2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000120821315 195244781 /nfs/dbraw/zinc/24/47/81/195244781.db2.gz XZGAIWDEGLFLSJ-LLVKDONJSA-N 1 0 302.340 2.256 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2nc3ccccc3[nH]2)C[C@@H]1C ZINC000120893901 195259214 /nfs/dbraw/zinc/25/92/14/195259214.db2.gz ZSOWFMHQSRJXIH-AWEZNQCLSA-N 1 0 302.422 2.106 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000543562516 285293630 /nfs/dbraw/zinc/29/36/30/285293630.db2.gz AGNBDGFWZDZAAD-UHFFFAOYSA-N 1 0 319.384 2.427 10 0 DEAERO Cc1ncc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CCCC3)C2)[nH]1 ZINC000248014015 257112320 /nfs/dbraw/zinc/11/23/20/257112320.db2.gz GXJHQNWHKRKBQD-WMZOPIPTSA-N 1 0 316.449 2.333 10 0 DEAERO c1cncc(C[C@@H]2[C@H](OCC3CC3)CC[N@@H+]2[C@H]2CCOC2)c1 ZINC000247851490 257116316 /nfs/dbraw/zinc/11/63/16/257116316.db2.gz RUSYQJTWRATFLC-RCCFBDPRSA-N 1 0 302.418 2.283 10 0 DEAERO CC[C@@H](C)OCC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328619521 257264167 /nfs/dbraw/zinc/26/41/67/257264167.db2.gz FZGZDQLSILZVDW-HFTRVMKXSA-N 1 0 319.449 2.348 10 0 DEAERO COC[C@H](C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000163359863 285332032 /nfs/dbraw/zinc/33/20/32/285332032.db2.gz RMSRAGYHVRZXAT-MAUKXSAKSA-N 1 0 304.434 2.440 10 0 DEAERO C[NH+]1CCC(CN2C(=O)C3(CC3)N[C@@H]2c2ccsc2)CC1 ZINC000121984334 195385858 /nfs/dbraw/zinc/38/58/58/195385858.db2.gz NKTVCIGSQNNXTN-AWEZNQCLSA-N 1 0 305.447 2.053 10 0 DEAERO CCN(CC)S(=O)(=O)c1cc(F)c(Cl)c(C[NH2+]C)c1 ZINC000122091175 195399549 /nfs/dbraw/zinc/39/95/49/195399549.db2.gz BDJNHIDMJUEDNU-UHFFFAOYSA-N 1 0 308.806 2.229 10 0 DEAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(OC(F)F)c1 ZINC000124376353 195635590 /nfs/dbraw/zinc/63/55/90/195635590.db2.gz FBEPXRQMSIGXJY-JTQLQIEISA-N 1 0 313.348 2.482 10 0 DEAERO Cc1c(NCCc2nccs2)nc(C(C)(C)C)[nH+]c1NN ZINC000126306582 195828355 /nfs/dbraw/zinc/82/83/55/195828355.db2.gz FZUUNAJLDAIWRM-UHFFFAOYSA-N 1 0 306.439 2.479 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(N3CCCC3)nc2)CC[N@@H+]1C ZINC000127558237 195888471 /nfs/dbraw/zinc/88/84/71/195888471.db2.gz XVABXRAITXGDSW-GDBMZVCRSA-N 1 0 316.449 2.237 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccc2nnc(C(C)(C)C)n2c1 ZINC000546015083 285474191 /nfs/dbraw/zinc/47/41/91/285474191.db2.gz YIKRXHBKCOQYSQ-UHFFFAOYSA-N 1 0 317.437 2.051 10 0 DEAERO O=C(NCCc1ccsc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174163585 132507134 /nfs/dbraw/zinc/50/71/34/132507134.db2.gz GGTYIOWQZBEVFG-HNNXBMFYSA-N 1 0 307.463 2.418 10 0 DEAERO Cc1cc2c(cc1C)[C@H](C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C)CO2 ZINC000248652641 292009305 /nfs/dbraw/zinc/00/93/05/292009305.db2.gz YFOCIIVVLVYYMF-IIAWOOMASA-N 1 0 302.418 2.330 10 0 DEAERO CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC3(C2)CCCCC3)CC1 ZINC000357726687 133096257 /nfs/dbraw/zinc/09/62/57/133096257.db2.gz HTDYVWJOSRXHTM-MRXNPFEDSA-N 1 0 307.482 2.195 10 0 DEAERO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N(C)C ZINC000357881695 133107164 /nfs/dbraw/zinc/10/71/64/133107164.db2.gz RQNWKSMKMCMYRH-CCNLRDMRSA-N 1 0 315.461 2.248 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCC(F)(F)[C@@H](C)C2)CC1 ZINC000357913654 133109072 /nfs/dbraw/zinc/10/90/72/133109072.db2.gz ZCNMLGUHIGEIIL-ZDUSSCGKSA-N 1 0 301.381 2.325 10 0 DEAERO Cc1cc(C[NH2+]CCN2CC=C(C)CC2)ccc1-n1cncn1 ZINC000358165410 133125692 /nfs/dbraw/zinc/12/56/92/133125692.db2.gz LIJPCDPSLWFYLN-UHFFFAOYSA-N 1 0 311.433 2.317 10 0 DEAERO CC(C)CC[NH+]1CCC(CNC(=O)NCCc2cn[nH]c2)CC1 ZINC000358196190 133127519 /nfs/dbraw/zinc/12/75/19/133127519.db2.gz NMFYIUDEUJUCRL-UHFFFAOYSA-N 1 0 321.469 2.010 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@H](C)c2ccccn2)CC1 ZINC000358198202 133127546 /nfs/dbraw/zinc/12/75/46/133127546.db2.gz XKUASEBHKDOQDX-OAHLLOKOSA-N 1 0 302.422 2.436 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NCc2ccn(C)c2)CC1 ZINC000358242174 133130665 /nfs/dbraw/zinc/13/06/65/133130665.db2.gz XKFOCUXZIKLVLL-UHFFFAOYSA-N 1 0 306.454 2.289 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000359604809 133134078 /nfs/dbraw/zinc/13/40/78/133134078.db2.gz FFLHZFQDSLVXIB-NVXWUHKLSA-N 1 0 308.466 2.382 10 0 DEAERO c1cc(OCC2CC2)ccc1C[NH2+]CCc1nnc2n1CCC2 ZINC000359691525 133139508 /nfs/dbraw/zinc/13/95/08/133139508.db2.gz ZRWSMQYCFHPHNM-UHFFFAOYSA-N 1 0 312.417 2.345 10 0 DEAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000360073581 133160355 /nfs/dbraw/zinc/16/03/55/133160355.db2.gz GINXWFKKIADVPZ-AWEZNQCLSA-N 1 0 314.429 2.158 10 0 DEAERO COC[C@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000362079892 133209748 /nfs/dbraw/zinc/20/97/48/133209748.db2.gz VWLUZWQUKWHIHT-BBRMVZONSA-N 1 0 323.412 2.106 10 0 DEAERO COc1c(C)cnc(CN(C)C(=O)CC2CC[NH+](C)CC2)c1C ZINC000362665176 133244353 /nfs/dbraw/zinc/24/43/53/133244353.db2.gz NZHSWJUHGOXGBT-UHFFFAOYSA-N 1 0 319.449 2.397 10 0 DEAERO COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000377082181 133318079 /nfs/dbraw/zinc/31/80/79/133318079.db2.gz KBHRMLOXORPJOQ-CAOSSQGBSA-N 1 0 311.422 2.465 10 0 DEAERO CN1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1c1ccccc1Cl ZINC000377187058 133321875 /nfs/dbraw/zinc/32/18/75/133321875.db2.gz XYUGDSUFSQSBEH-OAHLLOKOSA-N 1 0 318.808 2.121 10 0 DEAERO CC(C)n1cc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)nn1 ZINC000377380781 133328157 /nfs/dbraw/zinc/32/81/57/133328157.db2.gz FBJAQUGEAXVEGZ-LBPRGKRZSA-N 1 0 320.828 2.276 10 0 DEAERO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000377713735 133342820 /nfs/dbraw/zinc/34/28/20/133342820.db2.gz AQXQPSJDABBALF-OKACTXMXSA-N 1 0 322.474 2.446 10 0 DEAERO C[C@H](c1cnn(C)c1)N(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185175222 299667111 /nfs/dbraw/zinc/66/71/11/299667111.db2.gz CBUUAGVROSYPLR-CQSZACIVSA-N 1 0 321.469 2.245 10 0 DEAERO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000036954763 292076201 /nfs/dbraw/zinc/07/62/01/292076201.db2.gz XLTFEGWRVWTTFS-RYUDHWBXSA-N 1 0 314.451 2.188 10 0 DEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1ncsc1Br ZINC000563949930 292081439 /nfs/dbraw/zinc/08/14/39/292081439.db2.gz TYWVBHLYZNTNAI-MRVPVSSYSA-N 1 0 320.256 2.366 10 0 DEAERO COc1ccc(C)nc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000128146106 144740122 /nfs/dbraw/zinc/74/01/22/144740122.db2.gz 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Cc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000248135767 145148830 /nfs/dbraw/zinc/14/88/30/145148830.db2.gz PAMPHVJTTXYYTF-PKOBYXMFSA-N 1 0 316.445 2.238 10 0 DEAERO CN1c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C3(C)C)cc2CCC1=O ZINC000248432347 145154808 /nfs/dbraw/zinc/15/48/08/145154808.db2.gz YYOTXSQVTJMLRH-BMGDILEWSA-N 1 0 314.429 2.499 10 0 DEAERO CC(=O)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248557391 145158808 /nfs/dbraw/zinc/15/88/08/145158808.db2.gz LTFNWTWZBZQHAO-WMLDXEAASA-N 1 0 302.418 2.382 10 0 DEAERO CCN(C(=O)[C@H](C)COC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248719226 145164778 /nfs/dbraw/zinc/16/47/78/145164778.db2.gz HCCKMCRWAALSRE-WBVHZDCISA-N 1 0 304.434 2.392 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(N(C)CC)nc2)C[C@@H]1C ZINC000248843300 145170163 /nfs/dbraw/zinc/17/01/63/145170163.db2.gz MGPKPJYNPBDTAT-INIZCTEOSA-N 1 0 320.481 2.080 10 0 DEAERO CCOCCN1CC[N@H+](C[C@@H](O)CC2CCCC2)C[C@@H]1CC ZINC000248879960 145171585 /nfs/dbraw/zinc/17/15/85/145171585.db2.gz GBSGSMQRSVKYNS-ROUUACIJSA-N 1 0 312.498 2.360 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3c2CCCCC3)[C@@H](C)C1 ZINC000248895428 145173009 /nfs/dbraw/zinc/17/30/09/145173009.db2.gz LGWQGIPBVDLAPM-BBRMVZONSA-N 1 0 318.465 2.481 10 0 DEAERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H](O)C1CCCCC1)CC2 ZINC000248909742 145173381 /nfs/dbraw/zinc/17/33/81/145173381.db2.gz MOXQYADXQOCHPQ-BRWVUGGUSA-N 1 0 311.466 2.180 10 0 DEAERO COc1ccc(F)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1OC ZINC000249045578 145176520 /nfs/dbraw/zinc/17/65/20/145176520.db2.gz NMDBICQKNIBHKS-NEPJUHHUSA-N 1 0 322.380 2.152 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc(F)c2)C12CCOCC2 ZINC000249050079 145176939 /nfs/dbraw/zinc/17/69/39/145176939.db2.gz WPQHGUKTRWSKAQ-BRWVUGGUSA-N 1 0 323.408 2.423 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOCC(F)(F)C(F)(F)F ZINC000249370072 145182789 /nfs/dbraw/zinc/18/27/89/145182789.db2.gz OVNMLWKLCRXASQ-MNOVXSKESA-N 1 0 316.314 2.369 10 0 DEAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000249387089 145183596 /nfs/dbraw/zinc/18/35/96/145183596.db2.gz XBQAUXDYFFCJHB-UGFHNGPFSA-N 1 0 308.809 2.460 10 0 DEAERO COc1cc(OC)cc([C@@H]2CC[N@H+](C[C@@H](O)CSC)C2)c1 ZINC000249487306 145185631 /nfs/dbraw/zinc/18/56/31/145185631.db2.gz XFOTXZMXFYCKPJ-TZMCWYRMSA-N 1 0 311.447 2.217 10 0 DEAERO OC[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1c1ccsc1 ZINC000249592061 145187408 /nfs/dbraw/zinc/18/74/08/145187408.db2.gz VSUAXNGGWAMXDK-RCCFBDPRSA-N 1 0 317.454 2.359 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000250120617 145192717 /nfs/dbraw/zinc/19/27/17/145192717.db2.gz IPWJXESBALYKKL-USXIJHARSA-N 1 0 304.434 2.091 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCc2ccc(F)cc2)CC[C@H]1C ZINC000251843103 145195991 /nfs/dbraw/zinc/19/59/91/145195991.db2.gz MVZGABMPLRAGOT-XJKCOSOUSA-N 1 0 308.397 2.187 10 0 DEAERO CCOCCN1CC[N@H+](CCCOc2ccccc2)C[C@H]1C ZINC000252321827 145198876 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CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000261629786 145211892 /nfs/dbraw/zinc/21/18/92/145211892.db2.gz CVHVJRXULIFGHE-HNNXBMFYSA-N 1 0 313.401 2.448 10 0 DEAERO COc1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)ccc1F ZINC000261632088 145212207 /nfs/dbraw/zinc/21/22/07/145212207.db2.gz DDJHQDNEQXSTFF-HYSWKAIVSA-N 1 0 322.380 2.305 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc2c(c1)CCO2 ZINC000261640009 145212364 /nfs/dbraw/zinc/21/23/64/145212364.db2.gz DSYFXQHANLLIRE-SIIHOXLZSA-N 1 0 316.401 2.093 10 0 DEAERO C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)[C@H](C[NH3+])C1 ZINC000261636085 145212495 /nfs/dbraw/zinc/21/24/95/145212495.db2.gz HBAXJKCGHYYVAY-ONGXEEELSA-N 1 0 320.817 2.227 10 0 DEAERO O=C(C[C@H]1CCOc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261672140 145215758 /nfs/dbraw/zinc/21/57/58/145215758.db2.gz CSJIWISQXPRCPL-OAGGEKHMSA-N 1 0 314.429 2.401 10 0 DEAERO COc1cc(F)c(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261687019 145216868 /nfs/dbraw/zinc/21/68/68/145216868.db2.gz CYFQSURAKQXYEU-CQSZACIVSA-N 1 0 310.369 2.042 10 0 DEAERO CCc1ccc(C(=O)CCC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000261695685 145217755 /nfs/dbraw/zinc/21/77/55/145217755.db2.gz IXUPLKWEAKQGMU-ZFWWWQNUSA-N 1 0 302.418 2.408 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000261713045 145219182 /nfs/dbraw/zinc/21/91/82/145219182.db2.gz PHUNZABHUKHVEI-CABZTGNLSA-N 1 0 302.296 2.313 10 0 DEAERO COCC1(CNC(=O)[C@@H](C)Sc2ccccc2)CC[NH2+]CC1 ZINC000261711501 145219232 /nfs/dbraw/zinc/21/92/32/145219232.db2.gz KQHANSGHWYGJPQ-CQSZACIVSA-N 1 0 322.474 2.300 10 0 DEAERO Cc1ccc(C)c(NC(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261768663 145224412 /nfs/dbraw/zinc/22/44/12/145224412.db2.gz OPXLRKUBXNJNGO-GOSISDBHSA-N 1 0 324.428 2.283 10 0 DEAERO COc1ccc(OCCc2nc(C3([NH3+])CCCC3)no2)cc1 ZINC000261776943 145224997 /nfs/dbraw/zinc/22/49/97/145224997.db2.gz NNSMMJPBDSSPDP-UHFFFAOYSA-N 1 0 303.362 2.428 10 0 DEAERO CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC[C@H]1CCC[NH2+]C1 ZINC000261781621 145225881 /nfs/dbraw/zinc/22/58/81/145225881.db2.gz NVWWYDDVJATQHR-HOCLYGCPSA-N 1 0 324.852 2.403 10 0 DEAERO CCCOc1ccc([C@H](C)NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261785022 145225980 /nfs/dbraw/zinc/22/59/80/145225980.db2.gz HUBHIGIFJKYESP-ZDUSSCGKSA-N 1 0 306.406 2.161 10 0 DEAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261789239 145226835 /nfs/dbraw/zinc/22/68/35/145226835.db2.gz QBBQGIKNLXWUDA-BRWVUGGUSA-N 1 0 304.434 2.252 10 0 DEAERO [NH3+][C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000261802055 145228001 /nfs/dbraw/zinc/22/80/01/145228001.db2.gz QYOKPAPWIWSOKW-DLBZAZTESA-N 1 0 314.360 2.158 10 0 DEAERO COc1ccccc1NC(=O)[C@@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261815843 145229838 /nfs/dbraw/zinc/22/98/38/145229838.db2.gz PCBVHLAIQUBYDI-DOMZBBRYSA-N 1 0 305.422 2.081 10 0 DEAERO CN(Cc1ccccc1C(F)(F)F)C(=O)C1([NH3+])CCOCC1 ZINC000261851626 145233668 /nfs/dbraw/zinc/23/36/68/145233668.db2.gz MKTAUHHCGDOVKT-UHFFFAOYSA-N 1 0 316.323 2.172 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)O1 ZINC000261862674 145234758 /nfs/dbraw/zinc/23/47/58/145234758.db2.gz SJXWPAGIBVMHRR-WOPDTQHZSA-N 1 0 320.286 2.052 10 0 DEAERO Cc1ccccc1CNC(=O)[C@@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261872756 145236137 /nfs/dbraw/zinc/23/61/37/145236137.db2.gz TVBGQKRLOKKGTH-ZBFHGGJFSA-N 1 0 303.450 2.059 10 0 DEAERO CC1(C)CN(C(=O)C2(c3ccccc3)CCOCC2)CC[C@@H]1[NH3+] ZINC000261869684 145236269 /nfs/dbraw/zinc/23/62/69/145236269.db2.gz NYGHBHOBTFPUGF-INIZCTEOSA-N 1 0 316.445 2.321 10 0 DEAERO [NH3+]C1(C(=O)NCC(c2ccccc2)c2ccccc2)CCOCC1 ZINC000261889328 145238018 /nfs/dbraw/zinc/23/80/18/145238018.db2.gz QHOZKABZZQUIOT-UHFFFAOYSA-N 1 0 324.424 2.443 10 0 DEAERO C[C@H]([NH3+])CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261900075 145239066 /nfs/dbraw/zinc/23/90/66/145239066.db2.gz YTWSJJUQZMHAPY-RJIBLYRGSA-N 1 0 313.804 2.078 10 0 DEAERO CC1(C)CN(CC(=O)NCCc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000261910021 145239870 /nfs/dbraw/zinc/23/98/70/145239870.db2.gz XLSOMRGXMXOQGC-HNNXBMFYSA-N 1 0 323.868 2.058 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)c1 ZINC000261906154 145240369 /nfs/dbraw/zinc/24/03/69/145240369.db2.gz WXBZYFARAZFIOJ-CALCHBBNSA-N 1 0 324.428 2.252 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ncnc2c1cnn2-c1ccccc1 ZINC000261916864 145241672 /nfs/dbraw/zinc/24/16/72/145241672.db2.gz RANCWMVCBQLVKJ-WFASDCNBSA-N 1 0 308.389 2.368 10 0 DEAERO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1F ZINC000261926929 145242356 /nfs/dbraw/zinc/24/23/56/145242356.db2.gz LFHALFCLUMGEMT-DJIMGWMZSA-N 1 0 322.424 2.471 10 0 DEAERO COc1c(C)cc(CN2CC[NH2+]C[C@@H]2c2nccn2C)cc1C ZINC000261929143 145243151 /nfs/dbraw/zinc/24/31/51/145243151.db2.gz COPGLSLSQMLAQT-MRXNPFEDSA-N 1 0 314.433 2.192 10 0 DEAERO COC(=O)[C@H]1CC12CC[NH+](Cc1cccc3c1NCC3)CC2 ZINC000261927517 145243273 /nfs/dbraw/zinc/24/32/73/145243273.db2.gz LBXPJQQRDYYQRY-OAHLLOKOSA-N 1 0 300.402 2.430 10 0 DEAERO C[C@@H](c1nc(-c2cccnc2)no1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261928204 145243640 /nfs/dbraw/zinc/24/36/40/145243640.db2.gz ZNMPTLLGGGFDBZ-AAEUAGOBSA-N 1 0 301.394 2.252 10 0 DEAERO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261932912 145243901 /nfs/dbraw/zinc/24/39/01/145243901.db2.gz BUBDUKBGMRSRFR-YRGRVCCFSA-N 1 0 306.406 2.256 10 0 DEAERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c(C)c1O ZINC000261944487 145245065 /nfs/dbraw/zinc/24/50/65/145245065.db2.gz VGPMDZOMPXEPFP-WBHUJUFNSA-N 1 0 318.417 2.480 10 0 DEAERO C[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)N1CCc2ccccc2C1 ZINC000261950570 145246461 /nfs/dbraw/zinc/24/64/61/145246461.db2.gz KBBGABZAELYDTP-RHSMWYFYSA-N 1 0 315.461 2.019 10 0 DEAERO Clc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000262005614 145252133 /nfs/dbraw/zinc/25/21/33/145252133.db2.gz UYSSFFKPKDYILY-ZACQAIPSSA-N 1 0 324.852 2.466 10 0 DEAERO Cc1[nH]c2ccc(CNC(=O)[C@H]([NH3+])C3CCOCC3)cc2c1C ZINC000262048131 145257203 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C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000262366162 145279302 /nfs/dbraw/zinc/27/93/02/145279302.db2.gz LCRNRAXGDNEWAW-QEJZJMRPSA-N 1 0 316.401 2.467 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N(CCc2ccccc2)[C@H]2CCOC2)CC[NH2+]1 ZINC000262429117 145283199 /nfs/dbraw/zinc/28/31/99/145283199.db2.gz WIFBFYBDAJOCBV-SZMVWBNQSA-N 1 0 316.445 2.235 10 0 DEAERO CC(C)(C)c1nnc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000262459494 145285442 /nfs/dbraw/zinc/28/54/42/145285442.db2.gz JESCANZGMHGTTF-WOPDTQHZSA-N 1 0 322.478 2.373 10 0 DEAERO C[C@H](C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)C1C[NH2+]C1 ZINC000262500556 145288247 /nfs/dbraw/zinc/28/82/47/145288247.db2.gz IQTHFUXNDKVWJZ-FZMZJTMJSA-N 1 0 322.380 2.178 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000262541100 145291573 /nfs/dbraw/zinc/29/15/73/145291573.db2.gz FZXPCYFICZWCKE-HNNXBMFYSA-N 1 0 306.454 2.038 10 0 DEAERO CN(C)C(=O)c1ccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000262543791 145291619 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CCC[NH+]1CCC(CNC(=O)CCc2ccccc2N)CC1 ZINC000262943490 145313233 /nfs/dbraw/zinc/31/32/33/145313233.db2.gz UVFQYWIATUBITO-UHFFFAOYSA-N 1 0 303.450 2.440 10 0 DEAERO Cc1ccc([C@H]2OCCC[C@H]2C(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000263062529 145322102 /nfs/dbraw/zinc/32/21/02/145322102.db2.gz HWAXBRPLMLURGP-QZTJIDSGSA-N 1 0 314.429 2.499 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000263062527 145322106 /nfs/dbraw/zinc/32/21/06/145322106.db2.gz HWAXBRPLMLURGP-MSOLQXFVSA-N 1 0 314.429 2.499 10 0 DEAERO C[C@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccc(F)c(F)c1 ZINC000263175533 145332978 /nfs/dbraw/zinc/33/29/78/145332978.db2.gz GEPCLHSQGWQSFD-ZANVPECISA-N 1 0 308.332 2.076 10 0 DEAERO COc1cccc([C@@H](C)Cc2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263199775 145335590 /nfs/dbraw/zinc/33/55/90/145335590.db2.gz IWEWKGHTSQDFMG-WFASDCNBSA-N 1 0 316.405 2.001 10 0 DEAERO C[C@H](Oc1cccc(Cl)c1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263217860 145337384 /nfs/dbraw/zinc/33/73/84/145337384.db2.gz LFRZWZZWQWRHKV-GWCFXTLKSA-N 1 0 322.796 2.439 10 0 DEAERO C[C@H](Cc1nc([C@H]2C[NH2+]CCN2C)no1)c1ccc(F)cc1 ZINC000263222202 145337976 /nfs/dbraw/zinc/33/79/76/145337976.db2.gz MCHSZQIDWKMCDH-BXUZGUMPSA-N 1 0 304.369 2.131 10 0 DEAERO Cc1sc2nc(CN3CC[N@@H+](C)C[C@H]3C)nc(N)c2c1C ZINC000300413348 145339798 /nfs/dbraw/zinc/33/97/98/145339798.db2.gz AZAXQHMWYVMFDM-SECBINFHSA-N 1 0 305.451 2.026 10 0 DEAERO c1cnn(Cc2ccc(C[NH2+]Cc3cn4cccnc4n3)cc2)c1 ZINC000357030546 147027001 /nfs/dbraw/zinc/02/70/01/147027001.db2.gz FCSNFUAXMMSAFA-UHFFFAOYSA-N 1 0 318.384 2.264 10 0 DEAERO COCCC1(C)CN(C(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000358546658 147153587 /nfs/dbraw/zinc/15/35/87/147153587.db2.gz QGNYGQUTKFQZJU-UHFFFAOYSA-N 1 0 319.449 2.186 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCCC3(CCOCC3)C2)CC1 ZINC000358666890 147177719 /nfs/dbraw/zinc/17/77/19/147177719.db2.gz ONHZEEAZRQWXGC-UHFFFAOYSA-N 1 0 321.465 2.241 10 0 DEAERO COCCC1(C)CN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000359191323 147278817 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CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000375135305 148334731 /nfs/dbraw/zinc/33/47/31/148334731.db2.gz PLSZWAQJTWLNGA-IRXDYDNUSA-N 1 0 323.481 2.461 10 0 DEAERO C[C@@](O)(C[NH2+]Cc1cnc(N2CCCC2)nc1)C1CCCCC1 ZINC000565927339 292190803 /nfs/dbraw/zinc/19/08/03/292190803.db2.gz UEEWTZJYWHTDJQ-GOSISDBHSA-N 1 0 318.465 2.498 10 0 DEAERO C[C@H](c1ccccc1Cl)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000111684345 401720904 /nfs/dbraw/zinc/72/09/04/401720904.db2.gz VVTCYDBODKOWNX-OLZOCXBDSA-N 1 0 310.825 2.316 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NC[C@H](OC)C(C)(C)C)CC1 ZINC000073953125 401725695 /nfs/dbraw/zinc/72/56/95/401725695.db2.gz MRYXQOSFFKDZQK-HNNXBMFYSA-N 1 0 313.486 2.469 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)no1 ZINC000127260812 401726535 /nfs/dbraw/zinc/72/65/35/401726535.db2.gz FOEAFAVPYDAVTH-UKRRQHHQSA-N 1 0 321.327 2.436 10 0 DEAERO C[C@@H]1CCCN(c2cc(N3CC[N@@H+]4CCCC[C@@H]4C3)ncn2)C1 ZINC000112077128 401730030 /nfs/dbraw/zinc/73/00/30/401730030.db2.gz YUEHQACCCJODGN-HZPDHXFCSA-N 1 0 315.465 2.387 10 0 DEAERO CC[NH+](CC)CCCNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000112206570 401733598 /nfs/dbraw/zinc/73/35/98/401733598.db2.gz MOLKPXRMJKRULZ-UHFFFAOYSA-N 1 0 321.450 2.005 10 0 DEAERO C[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)C(C)(C)C ZINC000074317990 401735470 /nfs/dbraw/zinc/73/54/70/401735470.db2.gz NOWDFBDVEPYUFH-GFCCVEGCSA-N 1 0 305.422 2.351 10 0 DEAERO COc1ccc2c(CC(=O)NCC3CC[NH+](C)CC3)coc2c1 ZINC000127522018 401738301 /nfs/dbraw/zinc/73/83/01/401738301.db2.gz HCCHZMFXVQCRCZ-UHFFFAOYSA-N 1 0 316.401 2.442 10 0 DEAERO CCCc1noc(CCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000127701673 401746172 /nfs/dbraw/zinc/74/61/72/401746172.db2.gz XXHGZJUEKZMGFN-ZIAGYGMSSA-N 1 0 322.453 2.286 10 0 DEAERO CN1CCC([NH+]2CCC(Nc3ccnc(C4CC4)n3)CC2)CC1 ZINC000110392697 401689666 /nfs/dbraw/zinc/68/96/66/401689666.db2.gz DWFSESYAGHIZBZ-UHFFFAOYSA-N 1 0 315.465 2.325 10 0 DEAERO COc1cc(OCc2ccccc2)c([C@H]([NH3+])CO)cc1OC ZINC000072199789 401703285 /nfs/dbraw/zinc/70/32/85/401703285.db2.gz MHOFEXXFBOBIKO-CQSZACIVSA-N 1 0 303.358 2.275 10 0 DEAERO COc1cc([C@@H](C)[NH2+]CCC[S@](C)=O)cc(OC)c1OC ZINC000126828891 401710122 /nfs/dbraw/zinc/71/01/22/401710122.db2.gz HHFBFRMVMXDABK-WSVYEEACSA-N 1 0 315.435 2.132 10 0 DEAERO [NH3+]C[C@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1 ZINC000008037387 401747796 /nfs/dbraw/zinc/74/77/96/401747796.db2.gz RZIQHZMFHLUVFV-OAHLLOKOSA-N 1 0 323.345 2.028 10 0 DEAERO CC(C)C[C@@H]1COCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000114563120 401803633 /nfs/dbraw/zinc/80/36/33/401803633.db2.gz QCCJIZUUMFEKMK-QZTJIDSGSA-N 1 0 307.434 2.311 10 0 DEAERO CCn1cc(C[N@@H+]2CCCN(c3cncc(Cl)n3)CC2)cn1 ZINC000112695455 401753975 /nfs/dbraw/zinc/75/39/75/401753975.db2.gz OAZHCBDITFUXNK-UHFFFAOYSA-N 1 0 320.828 2.059 10 0 DEAERO CC(C)[N@H+](CC(=O)NC(=O)Nc1ccccc1)C1CCOCC1 ZINC000077356920 401811922 /nfs/dbraw/zinc/81/19/22/401811922.db2.gz REJVGFCFORJIRH-UHFFFAOYSA-N 1 0 319.405 2.224 10 0 DEAERO C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000128115749 401763407 /nfs/dbraw/zinc/76/34/07/401763407.db2.gz GQOBSLZLOVUUFF-DLBZAZTESA-N 1 0 302.418 2.389 10 0 DEAERO CSc1ccc(OCC[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1 ZINC000075714591 401766546 /nfs/dbraw/zinc/76/65/46/401766546.db2.gz QIGQLLHVXSZQES-OLZOCXBDSA-N 1 0 308.447 2.373 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2cccn2Cc2cccs2)CCO1 ZINC000128205044 401767102 /nfs/dbraw/zinc/76/71/02/401767102.db2.gz YBSPAQNNMPARTH-MRXNPFEDSA-N 1 0 319.474 2.360 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000113226568 401770535 /nfs/dbraw/zinc/77/05/35/401770535.db2.gz KGTXFJUMULAJRC-MAUKXSAKSA-N 1 0 324.428 2.240 10 0 DEAERO COc1cccc(CCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113229161 401771802 /nfs/dbraw/zinc/77/18/02/401771802.db2.gz JFXJTMSRPWWMEH-GOEBONIOSA-N 1 0 302.418 2.323 10 0 DEAERO Cc1ccc(C)c(OCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113233332 401772617 /nfs/dbraw/zinc/77/26/17/401772617.db2.gz VOLPSUIDEIXMCM-HOTGVXAUSA-N 1 0 302.418 2.377 10 0 DEAERO CCN(C(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000113268778 401773701 /nfs/dbraw/zinc/77/37/01/401773701.db2.gz OUDNVRFYSNGLPP-RDJZCZTQSA-N 1 0 301.434 2.208 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)COc1ccc(Cl)cc1 ZINC000113267221 401773800 /nfs/dbraw/zinc/77/38/00/401773800.db2.gz IGMQDCQGFUVVCK-BMFZPTHFSA-N 1 0 324.852 2.248 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)CC1CCCCC1 ZINC000113267049 401773818 /nfs/dbraw/zinc/77/38/18/401773818.db2.gz IZTCJNZEKABZPC-NVXWUHKLSA-N 1 0 307.482 2.194 10 0 DEAERO CCOc1ccccc1NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113270083 401773829 /nfs/dbraw/zinc/77/38/29/401773829.db2.gz FQENKCGRLOVFNO-LSDHHAIUSA-N 1 0 317.433 2.192 10 0 DEAERO Cc1cccc(NC(=O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1C ZINC000113271282 401774378 /nfs/dbraw/zinc/77/43/78/401774378.db2.gz ZDMFCWVEFXXIQA-GOEBONIOSA-N 1 0 301.434 2.410 10 0 DEAERO CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)[C@H]1CCCO1 ZINC000128526426 401780597 /nfs/dbraw/zinc/78/05/97/401780597.db2.gz DOMCHAKTJSCPQI-OWCLPIDISA-N 1 0 311.470 2.364 10 0 DEAERO CCCC(=O)NCC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000128545932 401782244 /nfs/dbraw/zinc/78/22/44/401782244.db2.gz XVJABQCRELOMNJ-UHFFFAOYSA-N 1 0 317.433 2.446 10 0 DEAERO COCc1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000113590598 401783290 /nfs/dbraw/zinc/78/32/90/401783290.db2.gz DCKQQOQBLYPTSU-RHSMWYFYSA-N 1 0 317.433 2.211 10 0 DEAERO CCc1nc(CCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cs1 ZINC000113611787 401784128 /nfs/dbraw/zinc/78/41/28/401784128.db2.gz LBKPSQPCQBGRQU-JSGCOSHPSA-N 1 0 322.478 2.126 10 0 DEAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](CC(=O)NCC3CC3)C2)cc1 ZINC000076394017 401794015 /nfs/dbraw/zinc/79/40/15/401794015.db2.gz UOSNLWZQANEADP-CJNGLKHVSA-N 1 0 302.418 2.399 10 0 DEAERO CSCCCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000077572360 401820971 /nfs/dbraw/zinc/82/09/71/401820971.db2.gz BRJKNXCYSARWFZ-OAHLLOKOSA-N 1 0 309.479 2.212 10 0 DEAERO Cc1ccc(C[N@H+](C[C@H](O)CN2CCCC2=O)C2CC2)cc1C ZINC000077657323 401823812 /nfs/dbraw/zinc/82/38/12/401823812.db2.gz ZVCRSOGSMOVENH-GOSISDBHSA-N 1 0 316.445 2.251 10 0 DEAERO COc1ccc(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000077730529 401827693 /nfs/dbraw/zinc/82/76/93/401827693.db2.gz WFNPNGQUQGQTMS-OAHLLOKOSA-N 1 0 322.449 2.339 10 0 DEAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1COc2ccccc21 ZINC000115813426 401837570 /nfs/dbraw/zinc/83/75/70/401837570.db2.gz BFDYWODVYOLMRM-UKRRQHHQSA-N 1 0 303.406 2.103 10 0 DEAERO CN(C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1)C1CCCCC1 ZINC000116314677 401849140 /nfs/dbraw/zinc/84/91/40/401849140.db2.gz NLGVOTYMXBNVHM-AWEZNQCLSA-N 1 0 304.438 2.001 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000116784510 401858399 /nfs/dbraw/zinc/85/83/99/401858399.db2.gz UFSGWTMUEDADBN-SNVBAGLBSA-N 1 0 317.216 2.396 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)c2ccc(Cl)cc2)CCO1 ZINC000116795128 401859410 /nfs/dbraw/zinc/85/94/10/401859410.db2.gz SUFMMYUZIIZHTG-OAHLLOKOSA-N 1 0 324.852 2.407 10 0 DEAERO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCc3n[nH]cc32)c1 ZINC000132737943 401872781 /nfs/dbraw/zinc/87/27/81/401872781.db2.gz UUAFDCTZOBAUKV-HNNXBMFYSA-N 1 0 312.417 2.208 10 0 DEAERO CCOCCC1(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CCCC1 ZINC000119167114 401930731 /nfs/dbraw/zinc/93/07/31/401930731.db2.gz VMCSYFAQLZXCJN-OAHLLOKOSA-N 1 0 311.470 2.319 10 0 DEAERO CCSCC[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000119209496 401932937 /nfs/dbraw/zinc/93/29/37/401932937.db2.gz DUVXBAYNUGMSOQ-UHFFFAOYSA-N 1 0 310.467 2.208 10 0 DEAERO CC(C)Oc1cccnc1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000079535087 401875796 /nfs/dbraw/zinc/87/57/96/401875796.db2.gz UVHHNMFOTKWVGT-CQSZACIVSA-N 1 0 305.422 2.331 10 0 DEAERO CC[C@H]1CN(C(=O)NCc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000117399310 401876234 /nfs/dbraw/zinc/87/62/34/401876234.db2.gz WAZLAGUMSWRGKT-INIZCTEOSA-N 1 0 323.412 2.078 10 0 DEAERO CC(C)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000032187047 401876842 /nfs/dbraw/zinc/87/68/42/401876842.db2.gz VFZGFEWESGVODQ-GFCCVEGCSA-N 1 0 302.212 2.434 10 0 DEAERO C[C@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000079619961 401878114 /nfs/dbraw/zinc/87/81/14/401878114.db2.gz CTYAAGMOLNSYIZ-GJZGRUSLSA-N 1 0 311.470 2.317 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000117755465 401883146 /nfs/dbraw/zinc/88/31/46/401883146.db2.gz UEUBFGPKAUUNBB-HNNXBMFYSA-N 1 0 320.433 2.027 10 0 DEAERO CC[NH+](CC)[C@@H](C(=O)NCCn1cc(C)cn1)c1ccccc1 ZINC000117811557 401885253 /nfs/dbraw/zinc/88/52/53/401885253.db2.gz HHZYCNHFMFEOOE-QGZVFWFLSA-N 1 0 314.433 2.391 10 0 DEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(-n3nc(C)cc3C)nn2)C1 ZINC000133442425 401886193 /nfs/dbraw/zinc/88/61/93/401886193.db2.gz VRFYMPMDJYRRAE-CQSZACIVSA-N 1 0 300.410 2.175 10 0 DEAERO CCCCOCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000118345242 401896355 /nfs/dbraw/zinc/89/63/55/401896355.db2.gz MLLDGIQPWMLKQL-DOTOQJQBSA-N 1 0 319.449 2.225 10 0 DEAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000134522295 401905539 /nfs/dbraw/zinc/90/55/39/401905539.db2.gz CIZMPYYGIWJCRD-SJLPKXTDSA-N 1 0 304.434 2.409 10 0 DEAERO COc1cccc(CCC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000119257184 401936391 /nfs/dbraw/zinc/93/63/91/401936391.db2.gz HFXLCGKCHWJEDG-GOSISDBHSA-N 1 0 315.417 2.225 10 0 DEAERO O=C(c1csc(Br)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000037845348 401917823 /nfs/dbraw/zinc/91/78/23/401917823.db2.gz AKIPMZVAJNLAIS-JTQLQIEISA-N 1 0 315.236 2.431 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000085902937 401919597 /nfs/dbraw/zinc/91/95/97/401919597.db2.gz PZIDMAFZHGCQHM-QGZVFWFLSA-N 1 0 321.373 2.097 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(N)=O)CC2)C12CCCCC2 ZINC000119048598 401921892 /nfs/dbraw/zinc/92/18/92/401921892.db2.gz IJWOPRYZRAFITP-HUUCEWRRSA-N 1 0 309.454 2.247 10 0 DEAERO OC[C@@H]([NH2+]C[C@H]1CCCO1)c1cccc(Br)c1 ZINC000038114865 401922799 /nfs/dbraw/zinc/92/27/99/401922799.db2.gz TUZCNJSFTMDPRD-CHWSQXEVSA-N 1 0 300.196 2.251 10 0 DEAERO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000119443189 401950768 /nfs/dbraw/zinc/95/07/68/401950768.db2.gz XUJVEESBQJTKPU-LBPRGKRZSA-N 1 0 314.476 2.128 10 0 DEAERO COc1c(C)cnc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1C ZINC000119447313 401950889 /nfs/dbraw/zinc/95/08/89/401950889.db2.gz KGRLOLHVFZPWAE-HNNXBMFYSA-N 1 0 315.421 2.211 10 0 DEAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000089637585 401955134 /nfs/dbraw/zinc/95/51/34/401955134.db2.gz CQNSNHCVPHSVGW-RYUDHWBXSA-N 1 0 315.483 2.420 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000136011555 401957614 /nfs/dbraw/zinc/95/76/14/401957614.db2.gz CRTULYPVQFNUNX-KGLIPLIRSA-N 1 0 323.462 2.315 10 0 DEAERO CN(CC(=O)NC(C)(C)C)Cc1ccc(N2CCCC2)nc1 ZINC000120668151 401997654 /nfs/dbraw/zinc/99/76/54/401997654.db2.gz NESVKGHJQUVAMR-UHFFFAOYSA-N 1 0 304.438 2.028 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cncc(C)c2)[C@H](C)C1 ZINC000119715140 401964154 /nfs/dbraw/zinc/96/41/54/401964154.db2.gz XJECKVCZAZFZEK-GDBMZVCRSA-N 1 0 304.438 2.262 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2ccc(C)c(OC)c2)C1 ZINC000119831010 401968120 /nfs/dbraw/zinc/96/81/20/401968120.db2.gz HZGAKRARHNVWFH-MRXNPFEDSA-N 1 0 319.449 2.330 10 0 DEAERO CCC[N@H+](CCO)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000046342911 401968849 /nfs/dbraw/zinc/96/88/49/401968849.db2.gz XEPNUKTWGNSOSL-LLVKDONJSA-N 1 0 322.232 2.437 10 0 DEAERO CCOc1cccc(CN2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)c1 ZINC000120677741 401998206 /nfs/dbraw/zinc/99/82/06/401998206.db2.gz RLVYEZJSSVELLJ-NVXWUHKLSA-N 1 0 306.450 2.362 10 0 DEAERO CCOC(=O)CC[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000090002950 401977800 /nfs/dbraw/zinc/97/78/00/401977800.db2.gz ZNCBZIINRMEKCP-CYBMUJFWSA-N 1 0 306.406 2.210 10 0 DEAERO CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090004136 401978949 /nfs/dbraw/zinc/97/89/49/401978949.db2.gz IERSOGABEUNHDC-MRXNPFEDSA-N 1 0 320.481 2.323 10 0 DEAERO Cc1nc(C)c(CCNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000120198346 401981784 /nfs/dbraw/zinc/98/17/84/401981784.db2.gz CQBMCHIVYAJYPZ-SMDDNHRTSA-N 1 0 324.494 2.330 10 0 DEAERO NC(=O)N1CCC([NH2+]CC2(c3ccc(F)cc3F)CC2)CC1 ZINC000090919194 401988971 /nfs/dbraw/zinc/98/89/71/401988971.db2.gz QFDOJFMVPMVPOO-UHFFFAOYSA-N 1 0 309.360 2.129 10 0 DEAERO CCCc1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n(C)n1 ZINC000091093959 401992777 /nfs/dbraw/zinc/99/27/77/401992777.db2.gz LXSLGFQBCSCCRZ-JSGCOSHPSA-N 1 0 305.426 2.073 10 0 DEAERO C[NH+](C)CCOc1nn(C(=O)OC(C)(C)C)c2cc(N)ccc21 ZINC000089197587 401938438 /nfs/dbraw/zinc/93/84/38/401938438.db2.gz ZDUKTPKZXLNQDM-UHFFFAOYSA-N 1 0 320.393 2.342 10 0 DEAERO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](Cc2cncn2C)C1 ZINC000135465043 401940870 /nfs/dbraw/zinc/94/08/70/401940870.db2.gz IZTUDPUKWSWPPB-HOTGVXAUSA-N 1 0 313.401 2.199 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)Cc2ccc(C)c(O)c2)CC1 ZINC000089438763 401946636 /nfs/dbraw/zinc/94/66/36/401946636.db2.gz FSVRSWWJUQRPJA-UHFFFAOYSA-N 1 0 304.434 2.481 10 0 DEAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000119403002 401947576 /nfs/dbraw/zinc/94/75/76/401947576.db2.gz NGZKQHFBVSNSHN-STQMWFEESA-N 1 0 306.406 2.413 10 0 DEAERO C[C@H](NC(=O)N[C@H]1COc2ccccc21)C(C)(C)C[NH+](C)C ZINC000119422528 401949557 /nfs/dbraw/zinc/94/95/57/401949557.db2.gz VQYAPIIKVUFXEF-JSGCOSHPSA-N 1 0 305.422 2.396 10 0 DEAERO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000093321383 402014391 /nfs/dbraw/zinc/01/43/91/402014391.db2.gz DQLGJVFEHAYEPH-UHFFFAOYSA-N 1 0 320.433 2.433 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1nc(C)c(C)s1 ZINC000151161290 402020785 /nfs/dbraw/zinc/02/07/85/402020785.db2.gz GFXIHAPHXAWQMD-CQSZACIVSA-N 1 0 324.494 2.428 10 0 DEAERO Cc1ncccc1C[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000121233377 402022187 /nfs/dbraw/zinc/02/21/87/402022187.db2.gz OAYRGJSKGLJLGH-UHFFFAOYSA-N 1 0 313.449 2.183 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCc2ncc(C)s2)C1 ZINC000121262021 402024298 /nfs/dbraw/zinc/02/42/98/402024298.db2.gz NPLSASGNEGKMEU-ZDUSSCGKSA-N 1 0 310.467 2.120 10 0 DEAERO O[C@H](CN[C@H]1CSCCc2ccccc21)C[NH+]1CCCCC1 ZINC000151324186 402029667 /nfs/dbraw/zinc/02/96/67/402029667.db2.gz UFSQYTIXDUSHPL-AEFFLSMTSA-N 1 0 320.502 2.453 10 0 DEAERO Cn1ccnc1CC1CCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000122025262 402059750 /nfs/dbraw/zinc/05/97/50/402059750.db2.gz KPQVCLYZXVCODW-UHFFFAOYSA-N 1 0 319.449 2.287 10 0 DEAERO CN(C(=O)COc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000051018594 402031348 /nfs/dbraw/zinc/03/13/48/402031348.db2.gz KSLODUOJDPWLGR-PBWFPOADSA-N 1 0 308.809 2.460 10 0 DEAERO Cc1nc2ccccc2nc1CN1CC2(CC[NH2+]CC2)OC1=O ZINC000095509727 402033725 /nfs/dbraw/zinc/03/37/25/402033725.db2.gz SBRFGPFBOGLTTQ-UHFFFAOYSA-N 1 0 312.373 2.013 10 0 DEAERO O=C(CN1CCC([NH+]2CCCC2)CC1)NCc1ccccc1F ZINC000051925482 402037598 /nfs/dbraw/zinc/03/75/98/402037598.db2.gz VXEBCUCHWOHALX-UHFFFAOYSA-N 1 0 319.424 2.002 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2OC)C1 ZINC000052592785 402044123 /nfs/dbraw/zinc/04/41/23/402044123.db2.gz AKDMHBXMMFXWEH-OAHLLOKOSA-N 1 0 305.422 2.321 10 0 DEAERO CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H]1C(=O)N(CC)CC ZINC000092510982 402005419 /nfs/dbraw/zinc/00/54/19/402005419.db2.gz XCGSUJYPADXEBW-QGZVFWFLSA-N 1 0 320.481 2.378 10 0 DEAERO Cc1nc(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)no1 ZINC000122417705 402077243 /nfs/dbraw/zinc/07/72/43/402077243.db2.gz RGVBRKICGJYDHC-KRWDZBQOSA-N 1 0 314.389 2.163 10 0 DEAERO CCCN(CCC)C(=O)CN1CC[C@H](Oc2cccnc2)C1 ZINC000152296724 402087542 /nfs/dbraw/zinc/08/75/42/402087542.db2.gz OBKGHPRXINNKEC-INIZCTEOSA-N 1 0 305.422 2.183 10 0 DEAERO COCCN(CC(C)C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000152386937 402094011 /nfs/dbraw/zinc/09/40/11/402094011.db2.gz VNMJPJUUIRQAOR-MRXNPFEDSA-N 1 0 313.486 2.421 10 0 DEAERO C[C@H]1CC[C@@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)O1 ZINC000153006106 402121782 /nfs/dbraw/zinc/12/17/82/402121782.db2.gz QILBKAMRGOCVNV-WFASDCNBSA-N 1 0 319.405 2.061 10 0 DEAERO CCOC(=O)CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000152722251 402105349 /nfs/dbraw/zinc/10/53/49/402105349.db2.gz PSDLNXLUZNLABK-GDBMZVCRSA-N 1 0 320.433 2.007 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000097093735 402106310 /nfs/dbraw/zinc/10/63/10/402106310.db2.gz CADQLBAWBKTYGF-DTWKUNHWSA-N 1 0 303.284 2.089 10 0 DEAERO Cc1noc2ncc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc12 ZINC000123068440 402108696 /nfs/dbraw/zinc/10/86/96/402108696.db2.gz XQXIHTPORWWLPT-MFKMUULPSA-N 1 0 302.378 2.086 10 0 DEAERO Cc1noc2ncc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc12 ZINC000123068242 402108738 /nfs/dbraw/zinc/10/87/38/402108738.db2.gz XQXIHTPORWWLPT-ZWNOBZJWSA-N 1 0 302.378 2.086 10 0 DEAERO CC[C@@]1(C(=O)Nc2cc3c(cc2Cl)OCCO3)CC[NH2+]C1 ZINC000062891835 402110892 /nfs/dbraw/zinc/11/08/92/402110892.db2.gz KPDFCMSAGIRNRS-OAHLLOKOSA-N 1 0 310.781 2.439 10 0 DEAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000123325550 402122067 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CC(C)[C@@H](O)CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000153344930 402140591 /nfs/dbraw/zinc/14/05/91/402140591.db2.gz DTDGMTSDGOMCGI-KRWDZBQOSA-N 1 0 321.465 2.343 10 0 DEAERO CC[C@](C)(O)C[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000123345971 402123468 /nfs/dbraw/zinc/12/34/68/402123468.db2.gz AXZAZMJYBZMFTK-SFHVURJKSA-N 1 0 304.434 2.304 10 0 DEAERO CC(C)c1cccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000123345282 402123682 /nfs/dbraw/zinc/12/36/82/402123682.db2.gz VVCDNEQVAJJZHW-YIONKMFJSA-N 1 0 308.447 2.371 10 0 DEAERO CC(C)[C@H](O)CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000153400015 402142775 /nfs/dbraw/zinc/14/27/75/402142775.db2.gz HACOZHJFDMJQSW-QGZVFWFLSA-N 1 0 319.449 2.099 10 0 DEAERO CCc1noc(CC)c1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000123807429 402147374 /nfs/dbraw/zinc/14/73/74/402147374.db2.gz TXPYUXZNUNJSMD-WFASDCNBSA-N 1 0 322.453 2.327 10 0 DEAERO CC(C)[C@@H](O)CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000153511107 402150089 /nfs/dbraw/zinc/15/00/89/402150089.db2.gz 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CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc2c(c1)OCCO2 ZINC000180595738 402620742 /nfs/dbraw/zinc/62/07/42/402620742.db2.gz JDFNGGCAKQIOGL-KGLIPLIRSA-N 1 0 314.389 2.105 10 0 DEAERO c1nc2n(n1)C[C@@H]([NH2+][C@H]1CSCCc3ccccc31)CC2 ZINC000180604541 402621330 /nfs/dbraw/zinc/62/13/30/402621330.db2.gz FFODRLSVRDRCNM-ZFWWWQNUSA-N 1 0 300.431 2.213 10 0 DEAERO CC[C@@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1cnn(C)c1 ZINC000180650864 402622545 /nfs/dbraw/zinc/62/25/45/402622545.db2.gz NTBXPJJNORSZPJ-UONOGXRCSA-N 1 0 302.426 2.191 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC/C=C/c1ccccc1 ZINC000171871075 402630305 /nfs/dbraw/zinc/63/03/05/402630305.db2.gz MPFCCUWGXPHMAH-MPNRVQBSSA-N 1 0 317.433 2.110 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)OCc2cccc(OC)c2)C1 ZINC000249611358 402636881 /nfs/dbraw/zinc/63/68/81/402636881.db2.gz LHJOURDINSRPDE-GOEBONIOSA-N 1 0 320.433 2.201 10 0 DEAERO CC[NH+](CC)CCCN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000171931198 402633750 /nfs/dbraw/zinc/63/37/50/402633750.db2.gz 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C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1)C1CC1 ZINC000195507464 402847954 /nfs/dbraw/zinc/84/79/54/402847954.db2.gz HQUIMQOELVJQEP-ZDUSSCGKSA-N 1 0 316.449 2.379 10 0 DEAERO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507469 402848030 /nfs/dbraw/zinc/84/80/30/402848030.db2.gz KAZOQINARSTQPQ-CQSZACIVSA-N 1 0 306.454 2.482 10 0 DEAERO COC(=O)c1oc(C[NH+]2CCC(c3ccnn3C)CC2)cc1C ZINC000195504537 402848360 /nfs/dbraw/zinc/84/83/60/402848360.db2.gz NSIJITVGOLAUAQ-UHFFFAOYSA-N 1 0 317.389 2.488 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCCCNc1nc2c(cnn2C)c(N)n1 ZINC000278417675 402865605 /nfs/dbraw/zinc/86/56/05/402865605.db2.gz OJOYLNMZWRVNMS-GFCCVEGCSA-N 1 0 317.441 2.012 10 0 DEAERO c1ccc(-c2nnc(NCCCC[NH+]3CCOCC3)s2)nc1 ZINC000272518213 402947513 /nfs/dbraw/zinc/94/75/13/402947513.db2.gz NHVPWMNCOKFDKT-UHFFFAOYSA-N 1 0 319.434 2.124 10 0 DEAERO NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cc3ccccc3o1)CC2 ZINC000275681152 403115150 /nfs/dbraw/zinc/11/51/50/403115150.db2.gz 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CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333448087 403753645 /nfs/dbraw/zinc/75/36/45/403753645.db2.gz XDIMBBHGUOTQHD-CVEARBPZSA-N 1 0 323.481 2.223 10 0 DEAERO C=Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000295293393 403836292 /nfs/dbraw/zinc/83/62/92/403836292.db2.gz UILUCICKHCJOSQ-HIFRSBDPSA-N 1 0 308.447 2.433 10 0 DEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333533017 403774717 /nfs/dbraw/zinc/77/47/17/403774717.db2.gz MNUJITMFBPUHIZ-XJKSGUPXSA-N 1 0 313.405 2.054 10 0 DEAERO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCc3nnnn3CC2)cc1 ZINC000333546715 403777406 /nfs/dbraw/zinc/77/74/06/403777406.db2.gz ORPBUUSAHKVNDD-JYJNAYRXSA-N 1 0 315.396 2.443 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000333624250 403795637 /nfs/dbraw/zinc/79/56/37/403795637.db2.gz FPVPHLYHMRQAGA-SOUVJXGZSA-N 1 0 309.454 2.118 10 0 DEAERO c1ncc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc1OC1CCCCC1 ZINC000333881453 403897150 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CC(=O)c1ccc2c(c1)CC[N@H+](C[C@H](O)CCOC(C)C)CC2 ZINC000349885751 404244653 /nfs/dbraw/zinc/24/46/53/404244653.db2.gz SVYZGSFUCMXIRD-LJQANCHMSA-N 1 0 319.445 2.466 10 0 DEAERO C[C@H](NC(=O)C1CCCCC1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000337949334 404328329 /nfs/dbraw/zinc/32/83/29/404328329.db2.gz IHIRISOZKKPQCS-DZKIICNBSA-N 1 0 323.481 2.013 10 0 DEAERO Cc1cccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)n1 ZINC000329564586 404377897 /nfs/dbraw/zinc/37/78/97/404377897.db2.gz HAHCRVXFXDCPRK-BBRMVZONSA-N 1 0 300.362 2.366 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCC([C@H](C)O)CC1)CC2 ZINC000364541910 404439358 /nfs/dbraw/zinc/43/93/58/404439358.db2.gz YPZXETHBQOUGBJ-GXTWGEPZSA-N 1 0 319.449 2.257 10 0 DEAERO COc1ccc2c(c1)[C@](O)(C[NH2+]CC1=CCCOC1)CCC2 ZINC000371358132 404457427 /nfs/dbraw/zinc/45/74/27/404457427.db2.gz WYOGWOPCMJYTDP-GOSISDBHSA-N 1 0 303.402 2.155 10 0 DEAERO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCCC23CCC3)c1 ZINC000373105031 404528765 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CC1=CC[N@H+](CCNC(=O)N2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000358198187 404756730 /nfs/dbraw/zinc/75/67/30/404756730.db2.gz XIPAEHQTJWAILU-QGZVFWFLSA-N 1 0 321.465 2.097 10 0 DEAERO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000375009662 404715814 /nfs/dbraw/zinc/71/58/14/404715814.db2.gz YXWAMEURABSOMC-HNNXBMFYSA-N 1 0 321.469 2.027 10 0 DEAERO CN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365754417 404716105 /nfs/dbraw/zinc/71/61/05/404716105.db2.gz VHBMMXIKUIURTK-WNRNVDISSA-N 1 0 319.493 2.050 10 0 DEAERO CC[C@@]1(C(=O)NC[C@@H](C)COCc2ccccc2)CC[NH2+]C1 ZINC000366458250 404794502 /nfs/dbraw/zinc/79/45/02/404794502.db2.gz BDVZGVMPXIDXJL-CRAIPNDOSA-N 1 0 304.434 2.345 10 0 DEAERO CC1(C)C[C@H]([NH2+]Cc2cccc(N3CCOCC3)n2)C(C)(C)O1 ZINC000360009669 404812352 /nfs/dbraw/zinc/81/23/52/404812352.db2.gz AHBQVZYCMLQBAM-HNNXBMFYSA-N 1 0 319.449 2.354 10 0 DEAERO Cc1ccc(-n2cc(NC(=O)N3CC[C@H]([NH3+])[C@H]3C)cn2)c(C)c1 ZINC000415567629 404885906 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CC(=O)N1CCCN(Cc2cncc(C(F)(F)F)c2)CC1 ZINC000361295685 405011495 /nfs/dbraw/zinc/01/14/95/405011495.db2.gz GAXGBCJDVFLCCW-UHFFFAOYSA-N 1 0 301.312 2.155 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NCC1(Cc2ccccc2)CC1 ZINC000435759823 405011685 /nfs/dbraw/zinc/01/16/85/405011685.db2.gz MGGYGTAXFBYMTN-UHFFFAOYSA-N 1 0 324.428 2.238 10 0 DEAERO CN(C)c1nccc(N2CC[NH+]([C@H]3C[C@@H]3c3ccccc3)CC2)n1 ZINC000361307368 405015456 /nfs/dbraw/zinc/01/54/56/405015456.db2.gz GEVAGRKKQSOJER-SJORKVTESA-N 1 0 323.444 2.221 10 0 DEAERO O=C(NC[C@@H]1CC12CCOCC2)N1CCC([NH+]2CCCC2)CC1 ZINC000435925438 405027236 /nfs/dbraw/zinc/02/72/36/405027236.db2.gz FGTPOGWLTZQFCZ-HNNXBMFYSA-N 1 0 321.465 2.073 10 0 DEAERO CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379633284 405028553 /nfs/dbraw/zinc/02/85/53/405028553.db2.gz TZPIHGKBOJFGJW-OALUTQOASA-N 1 0 320.477 2.417 10 0 DEAERO Cc1nn(C)c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1Br ZINC000384909265 405034030 /nfs/dbraw/zinc/03/40/30/405034030.db2.gz PPJMXKVPAGGRHW-UJNFCWOMSA-N 1 0 302.216 2.147 10 0 DEAERO C/C=C/C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000385081485 405034451 /nfs/dbraw/zinc/03/44/51/405034451.db2.gz WULSDYBXFVLIOZ-QAVQXKDTSA-N 1 0 300.196 2.355 10 0 DEAERO Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)n1 ZINC000451419066 404987543 /nfs/dbraw/zinc/98/75/43/404987543.db2.gz KMAKADPPDFPNGX-JHJVBQTASA-N 1 0 309.435 2.015 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)c2ncccc2N)C[N@@H+]1Cc1ccccc1 ZINC000398036982 405060518 /nfs/dbraw/zinc/06/05/18/405060518.db2.gz JDVQFNVVSRRDKK-DZGCQCFKSA-N 1 0 310.401 2.057 10 0 DEAERO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1nscc1Br ZINC000404878896 405069248 /nfs/dbraw/zinc/06/92/48/405069248.db2.gz YSZJIYSKPREBTD-CBAPKCEASA-N 1 0 318.240 2.070 10 0 DEAERO CC(=O)c1ccccc1OCCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000404832436 405069358 /nfs/dbraw/zinc/06/93/58/405069358.db2.gz HXVRNUDLWMQUMI-CQSZACIVSA-N 1 0 314.389 2.027 10 0 DEAERO Fc1ccc(OCC[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000361438444 405075937 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C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000408351558 405182752 /nfs/dbraw/zinc/18/27/52/405182752.db2.gz GFIPEQFUQJDQDM-CPUCHLNUSA-N 1 0 318.417 2.165 10 0 DEAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ncc[nH]c3=O)C2)C[C@H]1C ZINC000408397659 405196517 /nfs/dbraw/zinc/19/65/17/405196517.db2.gz VTTGPJYFHYHPDA-KBXIAJHMSA-N 1 0 304.438 2.153 10 0 DEAERO C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C[C@@H]1O ZINC000408417895 405201954 /nfs/dbraw/zinc/20/19/54/405201954.db2.gz UBOLHDJWOPEULZ-OIISXLGYSA-N 1 0 323.481 2.196 10 0 DEAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cs1 ZINC000453149710 405287235 /nfs/dbraw/zinc/28/72/35/405287235.db2.gz LHZXTMGPABEEOE-IUODEOHRSA-N 1 0 308.447 2.487 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCc2ccc(OC)cc2CC1 ZINC000440048554 405300517 /nfs/dbraw/zinc/30/05/17/405300517.db2.gz DGNXILKUKCUVKW-SFHVURJKSA-N 1 0 316.445 2.497 10 0 DEAERO CC(=O)C[C@H](C)NC(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000426992878 405385185 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ZINC000638624225 405578816 /nfs/dbraw/zinc/57/88/16/405578816.db2.gz PJZOQIBSJMYMSU-UHFFFAOYSA-N 1 0 309.229 2.165 10 0 DEAERO OC[C@@H]([C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)C1CC1)C1CC1 ZINC000449502109 405585782 /nfs/dbraw/zinc/58/57/82/405585782.db2.gz GADGPCIIBSEAOP-MSOLQXFVSA-N 1 0 312.417 2.154 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643179 405589915 /nfs/dbraw/zinc/58/99/15/405589915.db2.gz IGVJPMYYTIBFOJ-APPZFPTMSA-N 1 0 301.184 2.221 10 0 DEAERO CC[C@H](C)[NH+]1CCN(C(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000458786836 405590671 /nfs/dbraw/zinc/59/06/71/405590671.db2.gz KKRFTSXYVLMVIY-ZDUSSCGKSA-N 1 0 315.421 2.189 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)c2csc(Br)c2)C[NH2+]1 ZINC000638647048 405593077 /nfs/dbraw/zinc/59/30/77/405593077.db2.gz GRBAJYBOOZKMPJ-CBAPKCEASA-N 1 0 303.225 2.381 10 0 DEAERO CCn1cc(Br)cc1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638648222 405593169 /nfs/dbraw/zinc/59/31/69/405593169.db2.gz LOLIXAJQZSCCRV-KOLCDFICSA-N 1 0 314.227 2.141 10 0 DEAERO [NH3+]CCCOCCNC(=O)CCSc1ccc(Cl)cc1 ZINC000638655461 405598145 /nfs/dbraw/zinc/59/81/45/405598145.db2.gz AJGMNFKRHPNDID-UHFFFAOYSA-N 1 0 316.854 2.304 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)CSc2ccc(F)c(F)c2)C[NH2+]1 ZINC000638657706 405600099 /nfs/dbraw/zinc/60/00/99/405600099.db2.gz NAXJHAJNDZYPOV-UWVGGRQHSA-N 1 0 300.374 2.314 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(Br)c(F)c1 ZINC000638771990 405661471 /nfs/dbraw/zinc/66/14/71/405661471.db2.gz VWRDITMGYMQMGR-WRWORJQWSA-N 1 0 301.159 2.068 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)COc1ccc(Cl)cc1Cl ZINC000638773457 405661577 /nfs/dbraw/zinc/66/15/77/405661577.db2.gz LWDRSBCZQRDBIX-GZMMTYOYSA-N 1 0 303.189 2.239 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000638884249 405739634 /nfs/dbraw/zinc/73/96/34/405739634.db2.gz GNIOUKQRMSFGNF-HTQZYQBOSA-N 1 0 303.225 2.177 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000638893310 405744900 /nfs/dbraw/zinc/74/49/00/405744900.db2.gz YLRVVGFSVAVBHV-RKDXNWHRSA-N 1 0 315.186 2.255 10 0 DEAERO CC(C)CN(Cc1cnn(C)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000457346869 405805351 /nfs/dbraw/zinc/80/53/51/405805351.db2.gz WBSFQIBGZSJTMY-UHFFFAOYSA-N 1 0 306.454 2.137 10 0 DEAERO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000459296604 405840455 /nfs/dbraw/zinc/84/04/55/405840455.db2.gz JBGYFNVEMPYWRY-BBWFWOEESA-N 1 0 322.474 2.194 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+]Cc2nc3ccccc3nc2C)C1 ZINC000639123611 405901553 /nfs/dbraw/zinc/90/15/53/405901553.db2.gz MKZOYWISRRPHED-OAHLLOKOSA-N 1 0 312.417 2.286 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000450477065 405919732 /nfs/dbraw/zinc/91/97/32/405919732.db2.gz UMSBMELCRXGHNY-ROUUACIJSA-N 1 0 305.418 2.050 10 0 DEAERO CCC1(C[NH2+]Cc2snc(OC)c2Br)COC1 ZINC000639254611 406004608 /nfs/dbraw/zinc/00/46/08/406004608.db2.gz YGSQOPJNKGXCLU-UHFFFAOYSA-N 1 0 321.240 2.430 10 0 DEAERO O[C@H](C[NH2+]CC1CCC(c2ccccc2)CC1)Cn1ccnn1 ZINC000459696614 406008579 /nfs/dbraw/zinc/00/85/79/406008579.db2.gz BLGMCUBOQQVYGC-VMWRSERWSA-N 1 0 314.433 2.203 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(C)C2Cc3ccccc3C2)CC1 ZINC000460242631 406080004 /nfs/dbraw/zinc/08/00/04/406080004.db2.gz FFRQQPFAZUAWQA-UHFFFAOYSA-N 1 0 313.445 2.447 10 0 DEAERO CC(=O)c1cnc(NC(=O)C[C@H]([NH3+])Cc2ccccc2)s1 ZINC000568870677 292373890 /nfs/dbraw/zinc/37/38/90/292373890.db2.gz ACNVDXNDRXDMLE-GFCCVEGCSA-N 1 0 303.387 2.244 10 0 DEAERO CO[C@H]1C[C@@H]([NH2+]Cc2c(Br)cnn2C)C12CCC2 ZINC000459786637 406046247 /nfs/dbraw/zinc/04/62/47/406046247.db2.gz PFZRIIOXWRNQRN-NEPJUHHUSA-N 1 0 314.227 2.230 10 0 DEAERO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532379333 406072103 /nfs/dbraw/zinc/07/21/03/406072103.db2.gz HMLRRNNTYYGDIK-CQSZACIVSA-N 1 0 312.454 2.297 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCCc2sccc21 ZINC000533817858 406163125 /nfs/dbraw/zinc/16/31/25/406163125.db2.gz LIQCEZZITIWHTJ-CQSZACIVSA-N 1 0 301.415 2.213 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@H]1CCc2ccc(F)cc21 ZINC000533812683 406163536 /nfs/dbraw/zinc/16/35/36/406163536.db2.gz KRXBANQYLSTWDU-INIZCTEOSA-N 1 0 314.364 2.041 10 0 DEAERO C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000471971395 406133254 /nfs/dbraw/zinc/13/32/54/406133254.db2.gz AHDFOSLNRZJTPH-WRWGMCAJSA-N 1 0 307.360 2.451 10 0 DEAERO c1cc(CO[C@H]2CCN(Cc3nc(CC4CC4)no3)C2)ccn1 ZINC000639619752 406171884 /nfs/dbraw/zinc/17/18/84/406171884.db2.gz HQTAYJQAVVVODC-HNNXBMFYSA-N 1 0 314.389 2.208 10 0 DEAERO COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N(C)CCC[NH+](C)C)c1 ZINC000568155374 406198459 /nfs/dbraw/zinc/19/84/59/406198459.db2.gz CAFRWPVVFSNOKS-GDBMZVCRSA-N 1 0 320.433 2.217 10 0 DEAERO Cc1cccc2c1CC[C@H]2NC(=O)NCCNc1cc[nH+]cc1 ZINC000535263454 406217766 /nfs/dbraw/zinc/21/77/66/406217766.db2.gz YIARGDRUDVDVND-QGZVFWFLSA-N 1 0 310.401 2.211 10 0 DEAERO O=C1[C@H]([NH2+]Cc2cc(Cl)cs2)CCN1C1CCOCC1 ZINC000487295685 406221701 /nfs/dbraw/zinc/22/17/01/406221701.db2.gz DLQMNXGKRYJSDP-CYBMUJFWSA-N 1 0 314.838 2.271 10 0 DEAERO C[C@@H](OCc1ccccc1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634759589 406269109 /nfs/dbraw/zinc/26/91/09/406269109.db2.gz MEKYLLHUQHDHKD-GDBMZVCRSA-N 1 0 304.434 2.486 10 0 DEAERO CCC1(N2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH2+]CC1 ZINC000536955179 406281125 /nfs/dbraw/zinc/28/11/25/406281125.db2.gz RCXLFKJDHUGKCF-UHFFFAOYSA-N 1 0 311.470 2.461 10 0 DEAERO CCc1nc2n(c1C[NH3+])CCN(C(=O)OCc1ccccc1)C2 ZINC000536952683 406281192 /nfs/dbraw/zinc/28/11/92/406281192.db2.gz DBWSFDAXLCNEIF-UHFFFAOYSA-N 1 0 314.389 2.057 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+]Cc2nc3cc(F)ccc3o2)C1 ZINC000634978638 406383511 /nfs/dbraw/zinc/38/35/11/406383511.db2.gz IIMHTXVJQVINFF-GFCCVEGCSA-N 1 0 305.353 2.315 10 0 DEAERO COC[C@](C)(O)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000547659428 406429523 /nfs/dbraw/zinc/42/95/23/406429523.db2.gz HQRYSWIIWMXCQY-UONOGXRCSA-N 1 0 318.339 2.465 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000570377718 406384424 /nfs/dbraw/zinc/38/44/24/406384424.db2.gz RKIPFLLZOLNBPL-UONOGXRCSA-N 1 0 318.465 2.096 10 0 DEAERO c1nc(C2CCN(CC34CC(C3)C[NH2+]4)CC2)n2c1CCCC2 ZINC000634994946 406390501 /nfs/dbraw/zinc/39/05/01/406390501.db2.gz QWAYTQKRVNSGKR-UHFFFAOYSA-N 1 0 300.450 2.151 10 0 DEAERO CC1=CCN(CC[NH2+][C@@H](C)CC(=O)N2CCCCCC2)CC1 ZINC000547279737 406394778 /nfs/dbraw/zinc/39/47/78/406394778.db2.gz XDTAQTYEZBZIMQ-KRWDZBQOSA-N 1 0 307.482 2.409 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000637911164 406473883 /nfs/dbraw/zinc/47/38/83/406473883.db2.gz YFWLJJQCMMNAQM-QYZOEREBSA-N 1 0 323.440 2.118 10 0 DEAERO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 ZINC000637917620 406476921 /nfs/dbraw/zinc/47/69/21/406476921.db2.gz AQHDVXLKSCZLIV-VYUIOLGVSA-N 1 0 302.827 2.346 10 0 DEAERO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000525635887 406491817 /nfs/dbraw/zinc/49/18/17/406491817.db2.gz VTILYCRZLSSQQD-OAHLLOKOSA-N 1 0 324.465 2.347 10 0 DEAERO C[C@@H](NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000637868004 406454274 /nfs/dbraw/zinc/45/42/74/406454274.db2.gz LFWNSPOWOQCFMF-QAPCUYQASA-N 1 0 311.429 2.323 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)N[C@H](COC)C(C)C)CC1 ZINC000524783547 406461296 /nfs/dbraw/zinc/46/12/96/406461296.db2.gz RBSSUAXJAVNZSO-MRXNPFEDSA-N 1 0 313.486 2.421 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)Nc2cnc(CC(C)C)nc2)CC1 ZINC000525911354 406517819 /nfs/dbraw/zinc/51/78/19/406517819.db2.gz VIGYPQBCBHFCKO-UHFFFAOYSA-N 1 0 317.437 2.449 10 0 DEAERO CC(=O)N(Cc1ccc(NC(=O)CCC2C[NH2+]C2)cc1)C1CC1 ZINC000638007668 406520874 /nfs/dbraw/zinc/52/08/74/406520874.db2.gz SOECLEYIVACDMA-UHFFFAOYSA-N 1 0 315.417 2.136 10 0 DEAERO C[C@@](O)(C1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1)C(F)(F)F ZINC000527299207 406612731 /nfs/dbraw/zinc/61/27/31/406612731.db2.gz PNKOIMGHRBJPGK-VHSXEESVSA-N 1 0 323.277 2.325 10 0 DEAERO O[C@@H]1[C@@H](C[NH2+][C@H]2CCC23CCOCC3)CCC12CCOCC2 ZINC000549625817 406589297 /nfs/dbraw/zinc/58/92/97/406589297.db2.gz JJTCMFGBIXTKFJ-OWCLPIDISA-N 1 0 309.450 2.103 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC12CCCCC2 ZINC000638290289 406675792 /nfs/dbraw/zinc/67/57/92/406675792.db2.gz FDDCNAPECMOYGK-IAGOWNOFSA-N 1 0 315.461 2.285 10 0 DEAERO COc1nsc(C[NH2+]C[C@H]2CCCO2)c1Br ZINC000638295271 406678435 /nfs/dbraw/zinc/67/84/35/406678435.db2.gz VPIATYLJFSWYEX-SSDOTTSWSA-N 1 0 307.213 2.183 10 0 DEAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H]2CSC2(C)C)cc1 ZINC000572596132 406699045 /nfs/dbraw/zinc/69/90/45/406699045.db2.gz JTOJBRFROKKOMF-DZGCQCFKSA-N 1 0 309.431 2.113 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCCC1CCC1 ZINC000638414467 406758284 /nfs/dbraw/zinc/75/82/84/406758284.db2.gz GLBKOYWCNJUMRP-KRWDZBQOSA-N 1 0 303.450 2.142 10 0 DEAERO c1ccc(N2CCN(CCC[NH2+]CCC[C@@H]3CCO3)CC2)cc1 ZINC000638337861 406709529 /nfs/dbraw/zinc/70/95/29/406709529.db2.gz ZURWLVAISNTZIB-LJQANCHMSA-N 1 0 317.477 2.357 10 0 DEAERO CC[NH2+]Cc1c(Cl)cccc1N1CCC(OCCO)CC1 ZINC000129123330 196020628 /nfs/dbraw/zinc/02/06/28/196020628.db2.gz GLNFKUHTMRZMED-UHFFFAOYSA-N 1 0 312.841 2.427 10 0 DEAERO [NH3+][C@H](CNC(=O)c1cccc(F)c1Br)C1CC1 ZINC000129236117 196031271 /nfs/dbraw/zinc/03/12/71/196031271.db2.gz VQJHNOUSFGXYTB-SNVBAGLBSA-N 1 0 301.159 2.055 10 0 DEAERO [NH3+]Cc1cc(-c2nc3cc(Br)cnc3[nH]2)ccn1 ZINC000129608574 196061209 /nfs/dbraw/zinc/06/12/09/196061209.db2.gz ZWSFUYKFTFOVIU-UHFFFAOYSA-N 1 0 304.151 2.241 10 0 DEAERO c1ccc2nc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)ccc2c1 ZINC000129607835 196061840 /nfs/dbraw/zinc/06/18/40/196061840.db2.gz UBJJEXDKKGQFCV-INIZCTEOSA-N 1 0 311.429 2.389 10 0 DEAERO CCc1nsc(Sc2nc3sccn3c2CC[NH3+])n1 ZINC000130761365 196108145 /nfs/dbraw/zinc/10/81/45/196108145.db2.gz KIKDUCVINDVTLY-UHFFFAOYSA-N 1 0 311.461 2.462 10 0 DEAERO CS(=O)(=O)c1ccccc1Nc1cccc2c1CC[NH2+]C2 ZINC000131065594 196136803 /nfs/dbraw/zinc/13/68/03/196136803.db2.gz GPULNLCNUXLMND-UHFFFAOYSA-N 1 0 302.399 2.479 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)c1ccc2c(c1)CCO2 ZINC000131126727 196141491 /nfs/dbraw/zinc/14/14/91/196141491.db2.gz QAGIQUZWPIXUOQ-OAHLLOKOSA-N 1 0 311.447 2.487 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)c1cc(OC)cc(OC)c1 ZINC000131123733 196141579 /nfs/dbraw/zinc/14/15/79/196141579.db2.gz COQREVUZMHYQNF-OAHLLOKOSA-N 1 0 315.435 2.179 10 0 DEAERO C[NH2+][C@H](CCCS(C)(=O)=O)c1ccccc1OC(F)F ZINC000131204320 196149595 /nfs/dbraw/zinc/14/95/95/196149595.db2.gz SCGUCRHWBCHORY-LLVKDONJSA-N 1 0 307.362 2.373 10 0 DEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)c1ccc(OC(F)F)cc1 ZINC000131201229 196149739 /nfs/dbraw/zinc/14/97/39/196149739.db2.gz FLTBESVOXSHEML-LBPRGKRZSA-N 1 0 307.362 2.373 10 0 DEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@H](C)CCSC)cc1 ZINC000131233163 196152008 /nfs/dbraw/zinc/15/20/08/196152008.db2.gz PTUVWCWRAQPCOA-VXGBXAGGSA-N 1 0 316.492 2.387 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)CCc1ccc(OC)cc1 ZINC000131241621 196153382 /nfs/dbraw/zinc/15/33/82/196153382.db2.gz YTIFYJUUZGRXOR-HNNXBMFYSA-N 1 0 313.463 2.431 10 0 DEAERO C[N@H+](CC(=O)Nc1cc(Cl)ccc1N)[C@@H]1CCCC[C@@H]1O ZINC000131248034 196153384 /nfs/dbraw/zinc/15/33/84/196153384.db2.gz HJQKUWYOOOJCOM-KGLIPLIRSA-N 1 0 311.813 2.096 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1ncns1)OCCO2 ZINC000131324218 196160069 /nfs/dbraw/zinc/16/00/69/196160069.db2.gz ADLCOYHBFIMYMM-MNOVXSKESA-N 1 0 315.464 2.294 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1Sc1ncns1)OCCO2 ZINC000131324453 196160470 /nfs/dbraw/zinc/16/04/70/196160470.db2.gz ADLCOYHBFIMYMM-QWRGUYRKSA-N 1 0 315.464 2.294 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cccc(C)c2Br)C1 ZINC000131399622 196164733 /nfs/dbraw/zinc/16/47/33/196164733.db2.gz PISDLJWTGWKFTD-KOLCDFICSA-N 1 0 313.195 2.073 10 0 DEAERO CCCn1ncc(Br)c1[C@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000131539165 196177685 /nfs/dbraw/zinc/17/76/85/196177685.db2.gz KBDLLXUUOFEQNM-ZWNOBZJWSA-N 1 0 316.243 2.263 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)cc1Br ZINC000131538209 196177898 /nfs/dbraw/zinc/17/78/98/196177898.db2.gz PHBYXSCHOLJQNA-CBAPKCEASA-N 1 0 319.586 2.015 10 0 DEAERO [NH3+]CC1(CNS(=O)(=O)c2cc(F)ccc2F)CCCCC1 ZINC000131563635 196180647 /nfs/dbraw/zinc/18/06/47/196180647.db2.gz FBSPMQSGVFOWOB-UHFFFAOYSA-N 1 0 318.389 2.152 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(O[C@@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000131750334 196196246 /nfs/dbraw/zinc/19/62/46/196196246.db2.gz DVFYNSLASQNICH-ZYHUDNBSSA-N 1 0 301.383 2.062 10 0 DEAERO Cc1nc(-c2ncccc2Br)nc2c1CC[NH2+]C2 ZINC000132119638 196227529 /nfs/dbraw/zinc/22/75/29/196227529.db2.gz KBVFEAOWKUKENH-UHFFFAOYSA-N 1 0 305.179 2.255 10 0 DEAERO Cc1cccc(-n2nnnc2C[NH2+]CC(C)C)c1Br ZINC000132218325 196236087 /nfs/dbraw/zinc/23/60/87/196236087.db2.gz HYTSVEOCMQPXMW-UHFFFAOYSA-N 1 0 324.226 2.479 10 0 DEAERO CCC[NH2+]Cc1nnnn1-c1cccc(C)c1Br ZINC000132219233 196236098 /nfs/dbraw/zinc/23/60/98/196236098.db2.gz KTJWVNZAKMXVIW-UHFFFAOYSA-N 1 0 310.199 2.233 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCc2sc(Br)cc21)C(N)=O ZINC000132273365 196241161 /nfs/dbraw/zinc/24/11/61/196241161.db2.gz QIDSPNZMAJFIIY-POYBYMJQSA-N 1 0 303.225 2.351 10 0 DEAERO NC(=O)CC[NH2+][C@@H]1CCCc2sc(Br)cc21 ZINC000132275244 196241798 /nfs/dbraw/zinc/24/17/98/196241798.db2.gz NHIJXFCLZFRTIZ-MRVPVSSYSA-N 1 0 303.225 2.353 10 0 DEAERO C[C@@H]1N[C@@H](c2ccsc2)N(CC2([NH+](C)C)CCCC2)C1=O ZINC000132432059 196255619 /nfs/dbraw/zinc/25/56/19/196255619.db2.gz HDPREQFGVWISIV-GXTWGEPZSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H](COCc2ccc(F)c(Br)c2)O1 ZINC000132448737 196256937 /nfs/dbraw/zinc/25/69/37/196256937.db2.gz CHWNLSVEDMSCJH-ONGXEEELSA-N 1 0 318.186 2.482 10 0 DEAERO CCc1nn(C)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1Br ZINC000132625043 196271996 /nfs/dbraw/zinc/27/19/96/196271996.db2.gz YNIGBBPQPRSCQY-UISBYWKRSA-N 1 0 314.227 2.155 10 0 DEAERO NNc1ccc(Cl)c(Cn2c(=O)cccc2C(F)(F)F)[nH+]1 ZINC000132813299 196286364 /nfs/dbraw/zinc/28/63/64/196286364.db2.gz VHWXBANOYSOEPU-UHFFFAOYSA-N 1 0 318.686 2.249 10 0 DEAERO COCc1nc(N2CCc3sccc3[C@H]2C)cc(NN)[nH+]1 ZINC000132860282 196290652 /nfs/dbraw/zinc/29/06/52/196290652.db2.gz KEPRJSDYKHCTJU-SECBINFHSA-N 1 0 305.407 2.094 10 0 DEAERO Cc1csc(C2([NH2+]C(C)C)CCN(C(=O)N(C)C)CC2)n1 ZINC000132904715 196295780 /nfs/dbraw/zinc/29/57/80/196295780.db2.gz ITBQNOPTORORMU-UHFFFAOYSA-N 1 0 310.467 2.422 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCCOC2)C1 ZINC000172227118 287271964 /nfs/dbraw/zinc/27/19/64/287271964.db2.gz CRECTWJGVOWIFI-IXDOHACOSA-N 1 0 323.481 2.461 10 0 DEAERO O[C@@H](Cc1cc(F)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000133096864 196311691 /nfs/dbraw/zinc/31/16/91/196311691.db2.gz PAINCIJAKHIJAP-ZANVPECISA-N 1 0 302.187 2.491 10 0 DEAERO CNc1ncc(Br)c(NCCC[NH+]2CCCC2)n1 ZINC000133106683 196312491 /nfs/dbraw/zinc/31/24/91/196312491.db2.gz GUJYHSHOVMSUET-UHFFFAOYSA-N 1 0 314.231 2.179 10 0 DEAERO C[C@@H]([NH3+])CCCC(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000133134063 196314049 /nfs/dbraw/zinc/31/40/49/196314049.db2.gz MRDHCPOTMHXANT-SECBINFHSA-N 1 0 305.300 2.479 10 0 DEAERO CC[C@@H](CSC)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000133236367 196323521 /nfs/dbraw/zinc/32/35/21/196323521.db2.gz UTHLENWPJULHKF-JQWIXIFHSA-N 1 0 302.465 2.126 10 0 DEAERO COC(=O)c1sc(N2CC[C@H]([NH+]3CCCCC3)C2)nc1C ZINC000133237756 196324052 /nfs/dbraw/zinc/32/40/52/196324052.db2.gz FPYWOCMJLDANQM-LBPRGKRZSA-N 1 0 309.435 2.303 10 0 DEAERO C[S@](=O)CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000133789490 196335765 /nfs/dbraw/zinc/33/57/65/196335765.db2.gz FZNLYBSYMCUOGT-BLLLJJGKSA-N 1 0 302.237 2.405 10 0 DEAERO CCOC(=O)Cc1csc(N2CC[NH+]([C@@H](C)CC)CC2)n1 ZINC000133950275 196348912 /nfs/dbraw/zinc/34/89/12/196348912.db2.gz YBYXSWGKYONFJZ-LBPRGKRZSA-N 1 0 311.451 2.169 10 0 DEAERO C[C@H]1CCCC[C@]1(C[NH3+])NC(=O)c1snnc1C(C)(C)C ZINC000133951486 196349029 /nfs/dbraw/zinc/34/90/29/196349029.db2.gz MTIFYFVGSKTLTB-ZUZCIYMTSA-N 1 0 310.467 2.473 10 0 DEAERO COCC[NH2+]C[C@@H](COC)c1ccccc1Br ZINC000134062598 196357968 /nfs/dbraw/zinc/35/79/68/196357968.db2.gz GXEKENYANPBVIQ-NSHDSACASA-N 1 0 302.212 2.415 10 0 DEAERO CC(C)c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000134097524 196360852 /nfs/dbraw/zinc/36/08/52/196360852.db2.gz YNEOFCOIUHJWAU-JKSUJKDBSA-N 1 0 311.447 2.010 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](CC)CSC)o1 ZINC000134258153 196375295 /nfs/dbraw/zinc/37/52/95/196375295.db2.gz SZMPUSHILMQRRA-NSHDSACASA-N 1 0 320.480 2.199 10 0 DEAERO CCC[C@H](O)C[NH2+]Cc1c(Br)c(CC)nn1CC ZINC000134404783 196387354 /nfs/dbraw/zinc/38/73/54/196387354.db2.gz YUOWMAFUMNZURH-JTQLQIEISA-N 1 0 318.259 2.479 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])C[C@@H]2CCCCO2)c1Br ZINC000134514767 196397309 /nfs/dbraw/zinc/39/73/09/196397309.db2.gz QALVUZUKKAHVQI-MNOVXSKESA-N 1 0 316.243 2.320 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)CC(F)F)cc1 ZINC000136858414 196555227 /nfs/dbraw/zinc/55/52/27/196555227.db2.gz HXAYWDGBERCKFA-SNVBAGLBSA-N 1 0 306.378 2.243 10 0 DEAERO OCCC1(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000188044350 225008088 /nfs/dbraw/zinc/00/80/88/225008088.db2.gz CXKRGWFRWZLKAF-UHFFFAOYSA-N 1 0 302.462 2.446 10 0 DEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccccc1OCC1CC1 ZINC000417710378 229075204 /nfs/dbraw/zinc/07/52/04/229075204.db2.gz CDGLQFNURHLIKQ-DOMZBBRYSA-N 1 0 303.406 2.107 10 0 DEAERO C[C@H]1CCC[C@@](CNc2nn3c(nccc3=O)s2)([NH+](C)C)C1 ZINC000301072518 229482772 /nfs/dbraw/zinc/48/27/72/229482772.db2.gz HCGHUFWTYYLGHH-XHDPSFHLSA-N 1 0 321.450 2.073 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)n(-c2ccccc2)n1 ZINC000357911196 424820113 /nfs/dbraw/zinc/82/01/13/424820113.db2.gz GYNIKVXPMFNYFC-INIZCTEOSA-N 1 0 312.417 2.994 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)OCCCO2 ZINC000046860217 424822387 /nfs/dbraw/zinc/82/23/87/424822387.db2.gz WHDPYMGSQNDICM-CQSZACIVSA-N 1 0 318.417 2.452 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)Nc2cc(C(C)(C)C)on2)CC1 ZINC000358453949 424823451 /nfs/dbraw/zinc/82/34/51/424823451.db2.gz JQDUXPXTOLJUBG-UHFFFAOYSA-N 1 0 306.410 2.746 10 0 DEAERO Cc1cc(Cl)ccc1NC(=O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118643 424842064 /nfs/dbraw/zinc/84/20/64/424842064.db2.gz ITXAJXVJXJJOJM-UHFFFAOYSA-N 1 0 307.785 2.072 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876285 424849665 /nfs/dbraw/zinc/84/96/65/424849665.db2.gz SHIGFVAOIGEGMK-GJZGRUSLSA-N 1 0 320.481 2.368 10 0 DEAERO Cc1c(Br)cccc1NC(=O)COC1(C)C[NH2+]C1 ZINC000219014887 424885048 /nfs/dbraw/zinc/88/50/48/424885048.db2.gz ZQUHLMJFGOIEIS-UHFFFAOYSA-N 1 0 313.195 2.075 10 0 DEAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)no1 ZINC000194026888 424873240 /nfs/dbraw/zinc/87/32/40/424873240.db2.gz KZUBBLGPCRVJKE-LLVKDONJSA-N 1 0 317.345 2.044 10 0 DEAERO C[C@H]([NH3+])CNC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000194858494 424878683 /nfs/dbraw/zinc/87/86/83/424878683.db2.gz FACOFVPDSAUBGT-INIZCTEOSA-N 1 0 311.429 2.152 10 0 DEAERO C(Nc1nnc(C2CCOCC2)s1)C1CC[NH+](C2CC2)CC1 ZINC000556978632 424883966 /nfs/dbraw/zinc/88/39/66/424883966.db2.gz SBAKDLZONMZGAW-UHFFFAOYSA-N 1 0 322.478 2.718 10 0 DEAERO C[C@@]1(C(=O)NCCc2ccc(Br)s2)CCC[NH2+]1 ZINC000227420547 424885758 /nfs/dbraw/zinc/88/57/58/424885758.db2.gz HKSUIMWWYHSCSG-LBPRGKRZSA-N 1 0 317.252 2.311 10 0 DEAERO c1ccc(-c2ccc(NCC[NH2+]CCC[C@H]3CCO3)nn2)cc1 ZINC000638861214 424856435 /nfs/dbraw/zinc/85/64/35/424856435.db2.gz PRKSSNDMEMBSGW-INIZCTEOSA-N 1 0 312.417 2.714 10 0 DEAERO CN(Cc1cncc(Br)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000386371339 424911424 /nfs/dbraw/zinc/91/14/24/424911424.db2.gz RRINUAMPVXNISD-AWEZNQCLSA-N 1 0 310.239 2.370 10 0 DEAERO Cc1nc(N)nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000391017636 424918768 /nfs/dbraw/zinc/91/87/68/424918768.db2.gz WLAFJTCXOIBPLR-MQVJKMGUSA-N 1 0 324.432 2.370 10 0 DEAERO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1nscc1Br ZINC000404927068 424929838 /nfs/dbraw/zinc/92/98/38/424929838.db2.gz IBFMSJAGXKDUTQ-NSHDSACASA-N 1 0 320.256 2.399 10 0 DEAERO CC1(CNC(=O)c2nscc2Br)CC[NH2+]CC1 ZINC000404807305 424930153 /nfs/dbraw/zinc/93/01/53/424930153.db2.gz ZUGIMZCUMLYJEW-UHFFFAOYSA-N 1 0 318.240 2.025 10 0 DEAERO CN(CCOCc1ccccc1)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407448044 424932658 /nfs/dbraw/zinc/93/26/58/424932658.db2.gz YKTLBEQTUQLRIW-IAGOWNOFSA-N 1 0 302.418 2.192 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000309856728 424894000 /nfs/dbraw/zinc/89/40/00/424894000.db2.gz LLCUNGMVURLKPJ-ZENOOKHLSA-N 1 0 300.443 2.383 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1n[nH]c2c1cccc2Cl ZINC000435993218 425030188 /nfs/dbraw/zinc/03/01/88/425030188.db2.gz FPZVDGPKBWPBCP-GFCCVEGCSA-N 1 0 306.797 3.029 10 0 DEAERO COc1cc(F)cc(C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000449031641 425060267 /nfs/dbraw/zinc/06/02/67/425060267.db2.gz XBRCKFSEKPVKJN-UHFFFAOYSA-N 1 0 316.380 2.701 10 0 DEAERO O=C1NCC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000657522487 425357194 /nfs/dbraw/zinc/35/71/94/425357194.db2.gz HHENNXSTNNGGAQ-SNVBAGLBSA-N 1 0 303.587 2.081 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2cnn(-c3ccccc3)n2)[C@H](C)C1 ZINC000081094986 267377906 /nfs/dbraw/zinc/37/79/06/267377906.db2.gz VVCCFUFJLAOCSY-QAPCUYQASA-N 1 0 313.449 2.429 10 0 DEAERO CC(C)[C@@H](C)N(C(=O)NCCCC[NH+]1CCOCC1)C1CC1 ZINC000086365742 267390232 /nfs/dbraw/zinc/39/02/32/267390232.db2.gz YNHCGOYKCBQYOB-OAHLLOKOSA-N 1 0 311.470 2.317 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2ccc(Br)cc2F)CC1=O ZINC000657695006 425387741 /nfs/dbraw/zinc/38/77/41/425387741.db2.gz SXQASJHBKAMXGI-VIFPVBQESA-N 1 0 315.186 2.156 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2csc(Br)c2)CC1=O ZINC000657696951 425387840 /nfs/dbraw/zinc/38/78/40/425387840.db2.gz MBJPWNMIVHFHFP-MRVPVSSYSA-N 1 0 303.225 2.079 10 0 DEAERO CC(C)CO[C@@H](C)c1noc(CN2CCC([NH+](C)C)CC2)n1 ZINC000173866030 267485104 /nfs/dbraw/zinc/48/51/04/267485104.db2.gz UPAXXBBYKZUGEI-ZDUSSCGKSA-N 1 0 310.442 2.329 10 0 DEAERO O=C(NCCCc1cccc(F)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174818915 267509002 /nfs/dbraw/zinc/50/90/02/267509002.db2.gz INHQGYAZKNPCBW-QGZVFWFLSA-N 1 0 317.408 2.414 10 0 DEAERO C[C@@H]1CCC[C@@H](C)N(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000175521296 267521501 /nfs/dbraw/zinc/52/15/01/267521501.db2.gz PJRQJHFLRMSDEW-HZPDHXFCSA-N 1 0 311.470 2.319 10 0 DEAERO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000183856156 267632388 /nfs/dbraw/zinc/63/23/88/267632388.db2.gz LRVKDDVPYNEPAU-CZUORRHYSA-N 1 0 305.422 2.329 10 0 DEAERO Cc1cccc(C[C@H](CO)[NH2+]Cc2cnc3nc(C)cc(C)n23)c1 ZINC000189011554 267686760 /nfs/dbraw/zinc/68/67/60/267686760.db2.gz JPBYLDQLOSVBND-QGZVFWFLSA-N 1 0 324.428 2.348 10 0 DEAERO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1csnn1 ZINC000334119081 269021820 /nfs/dbraw/zinc/02/18/20/269021820.db2.gz JSMWVLGQEUJJBE-GFCCVEGCSA-N 1 0 323.466 2.259 10 0 DEAERO CNC(=O)CCCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000363732364 269074754 /nfs/dbraw/zinc/07/47/54/269074754.db2.gz GCWZEJVRMPNBSF-INIZCTEOSA-N 1 0 323.481 2.017 10 0 DEAERO Cn1cc(Br)c(CN[C@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000393318766 269099359 /nfs/dbraw/zinc/09/93/59/269099359.db2.gz AEFALCITCYLPBM-STQMWFEESA-N 1 0 321.222 2.417 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396338606 269102833 /nfs/dbraw/zinc/10/28/33/269102833.db2.gz BDAWIVVAQRAENJ-RHSMWYFYSA-N 1 0 302.418 2.144 10 0 DEAERO COC(=O)[C@H](C1CC1)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396338605 269103143 /nfs/dbraw/zinc/10/31/43/269103143.db2.gz BDAWIVVAQRAENJ-PBHICJAKSA-N 1 0 302.418 2.144 10 0 DEAERO O=C1NCCC[C@@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000336785204 275022933 /nfs/dbraw/zinc/02/29/33/275022933.db2.gz BVGATEDQXDNQQI-OLZOCXBDSA-N 1 0 309.207 2.305 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000172125657 275512126 /nfs/dbraw/zinc/51/21/26/275512126.db2.gz XZGYROGPSUJPRU-MZBDJJRSSA-N 1 0 323.481 2.052 10 0 DEAERO CC(C)c1nn(C)c(Cl)c1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172907661 276071191 /nfs/dbraw/zinc/07/11/91/276071191.db2.gz SXEASPMMVWQCPN-LLVKDONJSA-N 1 0 310.829 2.117 10 0 DEAERO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000130866567 276142362 /nfs/dbraw/zinc/14/23/62/276142362.db2.gz FQCVTILYHKLUHM-INIZCTEOSA-N 1 0 310.463 2.180 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000245471403 276170298 /nfs/dbraw/zinc/17/02/98/276170298.db2.gz NWXQRYMEDAPJFF-TZMCWYRMSA-N 1 0 324.856 2.478 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000245424171 276179875 /nfs/dbraw/zinc/17/98/75/276179875.db2.gz CBVCGPSCFAJGSK-QXULXFAOSA-N 1 0 306.450 2.325 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1COc2ccccc21 ZINC000176465031 276232743 /nfs/dbraw/zinc/23/27/43/276232743.db2.gz RTQMTMUUDRFZKI-IJEWVQPXSA-N 1 0 315.417 2.388 10 0 DEAERO CCOCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309931494 276313064 /nfs/dbraw/zinc/31/30/64/276313064.db2.gz WKYFEGDLKNWOQH-IXDOHACOSA-N 1 0 302.418 2.050 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000076103264 276339597 /nfs/dbraw/zinc/33/95/97/276339597.db2.gz DLNNTRHQXABXBR-GFCCVEGCSA-N 1 0 318.421 2.423 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)C12CCC2 ZINC000172686168 276346569 /nfs/dbraw/zinc/34/65/69/276346569.db2.gz VMBUYADDLOHAGD-BZUAXINKSA-N 1 0 316.449 2.383 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112667191 276361412 /nfs/dbraw/zinc/36/14/12/276361412.db2.gz RMTIPIRSJJQVJD-MRXNPFEDSA-N 1 0 318.465 2.303 10 0 DEAERO CCOC[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C(C)C ZINC000189520798 276463010 /nfs/dbraw/zinc/46/30/10/276463010.db2.gz YFZOCZJBBBLKML-DLBZAZTESA-N 1 0 306.450 2.337 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000183511425 276891229 /nfs/dbraw/zinc/89/12/29/276891229.db2.gz OTTVUAKMLZDFOP-OAHLLOKOSA-N 1 0 324.428 2.404 10 0 DEAERO CN1C(=O)CC[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1=O ZINC000090024705 277007092 /nfs/dbraw/zinc/00/70/92/277007092.db2.gz NSYPVVIPBILBEA-VXGBXAGGSA-N 1 0 308.378 2.100 10 0 DEAERO CN1C(=O)C[C@H]([NH2+]C2CCN(C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000090968672 277014172 /nfs/dbraw/zinc/01/41/72/277014172.db2.gz KGRNWMGBGKSKPD-RDJZCZTQSA-N 1 0 321.852 2.296 10 0 DEAERO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000360299692 277085945 /nfs/dbraw/zinc/08/59/45/277085945.db2.gz RTJJALPONGVYBV-ZBFHGGJFSA-N 1 0 316.401 2.067 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)[C@H]1C[C@H](C)CC[NH2+]1)CC2 ZINC000423911910 277114216 /nfs/dbraw/zinc/11/42/16/277114216.db2.gz SKAYKPJZJDJXEY-FZKQIMNGSA-N 1 0 314.429 2.205 10 0 DEAERO COC(=O)[C@@H](c1ccccc1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC000362808814 277342175 /nfs/dbraw/zinc/34/21/75/277342175.db2.gz MLDHCMBVJNUVCW-QGZVFWFLSA-N 1 0 318.417 2.091 10 0 DEAERO CO[C@]1(C)C[C@H](NC(=O)N2CCC[N@@H+](C3CC3)CC2)C1(C)C ZINC000074943819 277359925 /nfs/dbraw/zinc/35/99/25/277359925.db2.gz SXRNRVGFCFCQLT-WMLDXEAASA-N 1 0 309.454 2.070 10 0 DEAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000248955541 277947683 /nfs/dbraw/zinc/94/76/83/277947683.db2.gz CDRLWHYOPYXQDG-JMSVASOKSA-N 1 0 304.438 2.246 10 0 DEAERO C[C@@](C[NH3+])(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000133761581 278115513 /nfs/dbraw/zinc/11/55/13/278115513.db2.gz UGVYOAPKQNPNEM-LBPRGKRZSA-N 1 0 322.352 2.111 10 0 DEAERO CSc1nc2ncnc(N3CC[N@@H+]4CCC[C@H]4C3)c2s1 ZINC000246067622 278180340 /nfs/dbraw/zinc/18/03/40/278180340.db2.gz IABLCNFDLTZICH-VIFPVBQESA-N 1 0 307.448 2.093 10 0 DEAERO C[C@@H](C(=O)N1CCSc2ccccc21)N1CC[C@](C)(C[NH3+])C1 ZINC000261689682 278195423 /nfs/dbraw/zinc/19/54/23/278195423.db2.gz HJYOAAMFTLFCTQ-SUMWQHHRSA-N 1 0 319.474 2.185 10 0 DEAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000262509465 278223058 /nfs/dbraw/zinc/22/30/58/278223058.db2.gz MVHMGIFWZPLINE-HNNXBMFYSA-N 1 0 302.422 2.399 10 0 DEAERO CC1(C)CCC[C@H](CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000261973428 278239907 /nfs/dbraw/zinc/23/99/07/278239907.db2.gz BSDIHQOQNTZWNL-CVEARBPZSA-N 1 0 307.482 2.099 10 0 DEAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn2c1CCCC2 ZINC000246351194 278258242 /nfs/dbraw/zinc/25/82/42/278258242.db2.gz WDFWUQYXGCIREB-KGLIPLIRSA-N 1 0 304.438 2.070 10 0 DEAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cnn2c1CCCC2 ZINC000246351185 278259766 /nfs/dbraw/zinc/25/97/66/278259766.db2.gz WDFWUQYXGCIREB-KBPBESRZSA-N 1 0 304.438 2.070 10 0 DEAERO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)[C@H]1CCCO1 ZINC000189191157 278342267 /nfs/dbraw/zinc/34/22/67/278342267.db2.gz HQFMLXGIFJCLHA-RHSMWYFYSA-N 1 0 302.418 2.119 10 0 DEAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000340528132 278894231 /nfs/dbraw/zinc/89/42/31/278894231.db2.gz AIEOPDJHTNPZMG-KHMAMNHCSA-N 1 0 303.468 2.135 10 0 DEAERO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116310773 279192346 /nfs/dbraw/zinc/19/23/46/279192346.db2.gz DBAGONJSANPXFN-CABCVRRESA-N 1 0 304.438 2.001 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCOC3(CCCC3)C2)C1 ZINC000151288532 279295049 /nfs/dbraw/zinc/29/50/49/279295049.db2.gz NZAYJQGOPYQXHN-HUUCEWRRSA-N 1 0 309.454 2.262 10 0 DEAERO C[C@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)[C@H]1CCCO1 ZINC000183130472 279461164 /nfs/dbraw/zinc/46/11/64/279461164.db2.gz IDQIBHXGGSPKMB-CMPLNLGQSA-N 1 0 305.403 2.392 10 0 DEAERO CCOc1ccc(CCNC(=O)[C@H]2CCC[C@H]2[NH3+])cc1OCC ZINC000126291345 279955206 /nfs/dbraw/zinc/95/52/06/279955206.db2.gz OUEZJKFDFMOAEM-LSDHHAIUSA-N 1 0 320.433 2.270 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1CCc2ccccc21 ZINC000261943390 281459908 /nfs/dbraw/zinc/45/99/08/281459908.db2.gz VBSRCXMVMSTWHT-MKSNKDDYSA-N 1 0 314.429 2.323 10 0 DEAERO CCCC[C@H](CC)CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000061955577 281502330 /nfs/dbraw/zinc/50/23/30/281502330.db2.gz ZFLUPXFLMJVLKC-HOTGVXAUSA-N 1 0 313.486 2.349 10 0 DEAERO CCc1ccc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cc1CC ZINC000121124132 281751850 /nfs/dbraw/zinc/75/18/50/281751850.db2.gz YXWOWBUPUJTKNJ-UHFFFAOYSA-N 1 0 319.449 2.160 10 0 DEAERO CN(C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)c1ccc(F)cc1 ZINC000262468404 288916654 /nfs/dbraw/zinc/91/66/54/288916654.db2.gz JBDZXNWZGVPNCI-GRDNDAEWSA-N 1 0 306.381 2.321 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)C1 ZINC000127207857 289313220 /nfs/dbraw/zinc/31/32/20/289313220.db2.gz ZJPKASHOLUVOPG-VXGBXAGGSA-N 1 0 307.360 2.453 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000091709047 289327428 /nfs/dbraw/zinc/32/74/28/289327428.db2.gz SPCWNZOPCRWHAA-NPJQDHAYSA-N 1 0 321.465 2.116 10 0 DEAERO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)c1cccs1 ZINC000261907971 289364798 /nfs/dbraw/zinc/36/47/98/289364798.db2.gz INZKTUMXOVPSEM-LVQVYYBASA-N 1 0 323.506 2.098 10 0 DEAERO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000179201674 289542952 /nfs/dbraw/zinc/54/29/52/289542952.db2.gz XTBSGFPNUINFJP-OASPWFOLSA-N 1 0 311.223 2.358 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246710190 289564288 /nfs/dbraw/zinc/56/42/88/289564288.db2.gz NSDSHQXQJSRTBK-PMPSAXMXSA-N 1 0 309.454 2.071 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3=Cc4cc(Cl)ccc4OC3)C[C@H]12 ZINC000248626040 295322364 /nfs/dbraw/zinc/32/23/64/295322364.db2.gz ODCPVVXUYRPIOI-NZVBXONLSA-N 1 0 318.804 2.312 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000050163479 300961610 /nfs/dbraw/zinc/96/16/10/300961610.db2.gz KAMBKMBYHZOSKK-RYUDHWBXSA-N 1 0 316.854 2.315 10 0 DEAERO Cc1noc2ncnc(N3CCCC[C@@H]([NH+]4CCCC4)C3)c12 ZINC000192452323 302859871 /nfs/dbraw/zinc/85/98/71/302859871.db2.gz PNARDVLMUFFVOR-CYBMUJFWSA-N 1 0 301.394 2.381 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCOCC1CCC1 ZINC000575053037 326213681 /nfs/dbraw/zinc/21/36/81/326213681.db2.gz DNQWVORLONAHJE-INIZCTEOSA-N 1 0 311.470 2.367 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)c2ccccc2C1 ZINC000575371644 326236512 /nfs/dbraw/zinc/23/65/12/326236512.db2.gz UGAJMPCJDKWPHN-RDJZCZTQSA-N 1 0 324.428 2.350 10 0 DEAERO COC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000188104877 333031550 /nfs/dbraw/zinc/03/15/50/333031550.db2.gz DREWEGQAUMTRPK-RDJZCZTQSA-N 1 0 304.434 2.092 10 0 DEAERO COC[C@H](C)C[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000188757660 333054607 /nfs/dbraw/zinc/05/46/07/333054607.db2.gz 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NPIOVAZJAUWOFQ-CYBMUJFWSA-N 1 0 317.389 2.337 10 0 DEAERO C[C@@H]1C[N@H+](Cc2cnc(N)s2)CC[C@H]1NC(=O)C(C)(C)C ZINC000725271640 563576827 /nfs/dbraw/zinc/57/68/27/563576827.db2.gz JDIPNEQAZWPYCU-ZYHUDNBSSA-N 1 0 310.467 2.098 10 0 DEAERO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000312178427 625281489 /nfs/dbraw/zinc/28/14/89/625281489.db2.gz VJRXNABDTIDACU-QIAWRQBBSA-N 1 0 314.838 2.310 10 0 DEAERO C[C@@]1(C[NH3+])CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000312394620 625394121 /nfs/dbraw/zinc/39/41/21/625394121.db2.gz DCWQXFDSPKWFNL-PIZKADEWSA-N 1 0 314.838 2.311 10 0 DEAERO C[NH2+][C@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000053204873 625401065 /nfs/dbraw/zinc/40/10/65/625401065.db2.gz YCWLPHZJGPDICQ-JTQLQIEISA-N 1 0 322.352 2.168 10 0 DEAERO CC[NH+](CC)CCCN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000191808690 625545020 /nfs/dbraw/zinc/54/50/20/625545020.db2.gz ZDAMZHXMVGCRLF-HOTGVXAUSA-N 1 0 310.438 2.136 10 0 DEAERO C[C@H](CC[S@@](C)=O)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000300062366 622732716 /nfs/dbraw/zinc/73/27/16/622732716.db2.gz MZFQOMHVESIPGI-SQHYZVFZSA-N 1 0 318.483 2.133 10 0 DEAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Br)c(F)c1 ZINC000757183745 623232066 /nfs/dbraw/zinc/23/20/66/623232066.db2.gz GCSOVHIVGHPUJK-RKDXNWHRSA-N 1 0 302.143 2.064 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)[C@@H]2CSCCS2)CC1 ZINC000177066911 625651993 /nfs/dbraw/zinc/65/19/93/625651993.db2.gz OBACQQQOFAJTCJ-ZDUSSCGKSA-N 1 0 302.509 2.073 10 0 DEAERO CC(C)(C)OC(=O)CN1CCC[C@H]1COC(=O)C1CC=CC1 ZINC000177072784 625712709 /nfs/dbraw/zinc/71/27/09/625712709.db2.gz XMWBNZLXYDSVMJ-AWEZNQCLSA-N 1 0 309.406 2.302 10 0 DEAERO O=C(/C=C\c1ccc(Cl)nc1)OCC[NH+]1CCSCC1 ZINC000255492198 624841833 /nfs/dbraw/zinc/84/18/33/624841833.db2.gz BJVOEVZWITWXEP-RQOWECAXSA-N 1 0 312.822 2.340 10 0 DEAERO CCN(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)c1ccccc1 ZINC000066242292 625057397 /nfs/dbraw/zinc/05/73/97/625057397.db2.gz SIELQTRDKIYNAL-SJORKVTESA-N 1 0 318.465 2.153 10 0 DEAERO CNc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc(Cl)n1 ZINC000050777073 625100828 /nfs/dbraw/zinc/10/08/28/625100828.db2.gz PDGUGFDCKPPPLT-GFCCVEGCSA-N 1 0 312.845 2.483 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cnc(Cl)cn1 ZINC000178214616 625205095 /nfs/dbraw/zinc/20/50/95/625205095.db2.gz IYWMQBPBMVAJDU-CYBMUJFWSA-N 1 0 318.808 2.033 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000327663981 625230737 /nfs/dbraw/zinc/23/07/37/625230737.db2.gz XSKXXADITZDTQV-AWEZNQCLSA-N 1 0 320.524 2.066 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000312150231 625239412 /nfs/dbraw/zinc/23/94/12/625239412.db2.gz QIMMFEVAMJOWGQ-YXZYKRAASA-N 1 0 314.838 2.310 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCSC(F)(F)F ZINC000177406554 625929888 /nfs/dbraw/zinc/92/98/88/625929888.db2.gz IXJMPDZNERYIAJ-JTQLQIEISA-N 1 0 313.389 2.365 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000194723545 633307041 /nfs/dbraw/zinc/30/70/41/633307041.db2.gz KIJCTGNXDIHNQB-ZDUSSCGKSA-N 1 0 316.430 2.359 10 0 DEAERO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCNC(=O)OC(C)(C)C ZINC000734846580 633430518 /nfs/dbraw/zinc/43/05/18/633430518.db2.gz YTXRQSALCJHYJU-DZGCQCFKSA-N 1 0 308.422 2.265 10 0 DEAERO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc3nccn3c2)C1 ZINC000738951962 635684250 /nfs/dbraw/zinc/68/42/50/635684250.db2.gz OBWUCMNQCBQXIU-ZDUSSCGKSA-N 1 0 301.394 2.329 10 0 DEAERO CCCNC(=[NH2+])NCc1ccc(Br)cc1OC ZINC000186862339 636575980 /nfs/dbraw/zinc/57/59/80/636575980.db2.gz APGVSQXNSJFWIS-UHFFFAOYSA-N 1 0 300.200 2.272 10 0 DEAERO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000237154042 637292166 /nfs/dbraw/zinc/29/21/66/637292166.db2.gz GNIOYRCXEXVMHU-GDBMZVCRSA-N 1 0 316.401 2.197 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)/C=C/c2ccc(F)cc2)C1 ZINC000178961992 637513920 /nfs/dbraw/zinc/51/39/20/637513920.db2.gz FIJOQHOSNGTVFG-LELWJGSISA-N 1 0 312.410 2.185 10 0 DEAERO C[C@@H]1CCCN(S(=O)(=O)/C=C/c2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000178962823 637513986 /nfs/dbraw/zinc/51/39/86/637513986.db2.gz WPGLPBXPVMWBGD-HQBMLVTCSA-N 1 0 312.410 2.185 10 0 DEAERO C[NH+](C)CCCCNC(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000739732442 637688981 /nfs/dbraw/zinc/68/89/81/637688981.db2.gz YDWZNQOEZSCBOX-UHFFFAOYSA-N 1 0 315.458 2.138 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](COC)c1ccccc1 ZINC000727089640 637735186 /nfs/dbraw/zinc/73/51/86/637735186.db2.gz VIIHAFUQHHSUNH-CVEARBPZSA-N 1 0 321.490 2.323 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000741585200 637995827 /nfs/dbraw/zinc/99/58/27/637995827.db2.gz OIXIPGQLKXWAPH-DGCLKSJQSA-N 1 0 324.856 2.213 10 0 DEAERO COC(=O)/C(C)=C\C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000746499594 638350325 /nfs/dbraw/zinc/35/03/25/638350325.db2.gz LLYBZEXBSPIIHC-ZSOIEALJSA-N 1 0 316.401 2.000 10 0 DEAERO C[C@H](CNC(=O)C1CC[NH+](C)CC1)c1nc2ccccc2o1 ZINC000746652153 638365620 /nfs/dbraw/zinc/36/56/20/638365620.db2.gz ZOFSMJIWMZOBDA-GFCCVEGCSA-N 1 0 301.390 2.389 10 0 DEAERO OCCC1(C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000097818026 638497012 /nfs/dbraw/zinc/49/70/12/638497012.db2.gz XUQQLWPWKFAHTL-ZDUSSCGKSA-N 1 0 303.324 2.491 10 0 DEAERO COC(=O)/C(C)=C/C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000748817046 638595298 /nfs/dbraw/zinc/59/52/98/638595298.db2.gz XUJQJKZCVPOKQN-SMCAMXITSA-N 1 0 322.449 2.076 10 0 DEAERO COC(=O)/C(C)=C/C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000748818225 638595451 /nfs/dbraw/zinc/59/54/51/638595451.db2.gz SDLXKKGCSCYGNJ-SHRNQRGKSA-N 1 0 303.402 2.478 10 0 DEAERO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000748818797 638595620 /nfs/dbraw/zinc/59/56/20/638595620.db2.gz YSHCSFDMNOJTGA-MAUPQMMJSA-N 1 0 314.389 2.028 10 0 DEAERO CN(CC(F)F)C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000749364937 638638341 /nfs/dbraw/zinc/63/83/41/638638341.db2.gz STRPVIQTJOKGPY-UHFFFAOYSA-N 1 0 321.412 2.172 10 0 DEAERO CC[NH+](CC)CCN(CCOC)C(=S)NCc1ccccc1 ZINC000729642184 640820248 /nfs/dbraw/zinc/82/02/48/640820248.db2.gz GLGFHXWOMPTZNO-UHFFFAOYSA-N 1 0 323.506 2.351 10 0 DEAERO CC(C)c1ccc([C@H](C)NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1 ZINC000899963291 642221250 /nfs/dbraw/zinc/22/12/50/642221250.db2.gz DLQNEPBKIXJLJL-QANKJYHBSA-N 1 0 304.434 2.442 10 0 DEAERO C[C@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)c1ccc2ccccc2c1 ZINC000899963308 642221436 /nfs/dbraw/zinc/22/14/36/642221436.db2.gz DXCKVZPUIHLJBF-SOVGHPHASA-N 1 0 312.413 2.472 10 0 DEAERO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000805826798 643448278 /nfs/dbraw/zinc/44/82/78/643448278.db2.gz JZKJPUQSNNQIHK-CQSZACIVSA-N 1 0 310.369 2.415 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000800738094 645300733 /nfs/dbraw/zinc/30/07/33/645300733.db2.gz RRFJNSIFURDSLX-HNNXBMFYSA-N 1 0 309.841 2.400 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCC(=O)OC1CCCCC1 ZINC000801146596 645346484 /nfs/dbraw/zinc/34/64/84/645346484.db2.gz JMMSKNHMIFCQBL-HNNXBMFYSA-N 1 0 310.438 2.243 10 0 DEAERO C[Si](C)(C)c1ccc(C[N@H+](CCO)C2CCOCC2)cc1 ZINC000801945998 645467503 /nfs/dbraw/zinc/46/75/03/645467503.db2.gz FXOMXYBCFFYVGQ-UHFFFAOYSA-N 1 0 307.510 2.205 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)Cc1ccc(F)cn1)Cc1ccccc1 ZINC000806290135 645813760 /nfs/dbraw/zinc/81/37/60/645813760.db2.gz HZDWMBKCUZVAEK-KRWDZBQOSA-N 1 0 315.392 2.052 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)Cc1ccc(F)cn1)c1ccsc1 ZINC000806430106 645829862 /nfs/dbraw/zinc/82/98/62/645829862.db2.gz GIYRTZIKJWDGDQ-CQSZACIVSA-N 1 0 307.394 2.244 10 0 DEAERO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC23OCCO3)CC1 ZINC000806549612 645844649 /nfs/dbraw/zinc/84/46/49/645844649.db2.gz ZVOXJSPVTMCVTC-MRXNPFEDSA-N 1 0 324.465 2.108 10 0 DEAERO COc1cc(OC)cc([C@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000757183106 645937884 /nfs/dbraw/zinc/93/78/84/645937884.db2.gz DPDNBKACXYAYDH-CABCVRRESA-N 1 0 307.390 2.349 10 0 DEAERO COC[C@H](C)C[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000045696559 646522613 /nfs/dbraw/zinc/52/26/13/646522613.db2.gz AOHJMHZHNMZORX-SNVBAGLBSA-N 1 0 315.211 2.260 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)[C@H](C)CO ZINC000167075771 646546624 /nfs/dbraw/zinc/54/66/24/646546624.db2.gz JALFHORQDGPGNQ-BREBYQMCSA-N 1 0 302.212 2.089 10 0 DEAERO COCCn1c(C)c[nH+]c1CC1CCN(C(=O)C2CC2)CC1 ZINC000169791978 646629214 /nfs/dbraw/zinc/62/92/14/646629214.db2.gz XKWSOQUPYRXLKU-UHFFFAOYSA-N 1 0 305.422 2.029 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000171210024 646689868 /nfs/dbraw/zinc/68/98/68/646689868.db2.gz HQGVIWCOCCBWSA-UHFFFAOYSA-N 1 0 310.829 2.169 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccn1C ZINC000230412493 646728980 /nfs/dbraw/zinc/72/89/80/646728980.db2.gz BWBFQSVZBXGIEJ-STQMWFEESA-N 1 0 308.426 2.328 10 0 DEAERO C[C@@H](O)C1CCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000172567771 646742825 /nfs/dbraw/zinc/74/28/25/646742825.db2.gz BCNJHBUDIYTYFA-OAHLLOKOSA-N 1 0 313.486 2.301 10 0 DEAERO C[C@H](O)C1CCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000172567767 646743074 /nfs/dbraw/zinc/74/30/74/646743074.db2.gz BCNJHBUDIYTYFA-HNNXBMFYSA-N 1 0 313.486 2.301 10 0 DEAERO Cn1ccc(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000230685117 646743630 /nfs/dbraw/zinc/74/36/30/646743630.db2.gz PMFIAXJMVPDVQC-JSGCOSHPSA-N 1 0 308.426 2.203 10 0 DEAERO CCCn1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000174112077 646792854 /nfs/dbraw/zinc/79/28/54/646792854.db2.gz LJVYUMPUJMDISG-HNNXBMFYSA-N 1 0 305.426 2.385 10 0 DEAERO Cc1ccc(-c2cnn(CN3CCO[C@H](C[NH+](C)C)C3)c2)cc1 ZINC000153000428 647336745 /nfs/dbraw/zinc/33/67/45/647336745.db2.gz PKMIXLOBBNWPDE-GOSISDBHSA-N 1 0 314.433 2.078 10 0 DEAERO CCOc1nn(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(=S)s1 ZINC000153197851 647378115 /nfs/dbraw/zinc/37/81/15/647378115.db2.gz LGQMTOJDYNXRDQ-QWRGUYRKSA-N 1 0 314.480 2.199 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCS2(=O)=O)C1(CC)CC ZINC000182025249 648813497 /nfs/dbraw/zinc/81/34/97/648813497.db2.gz UQEIAJKONDAWDD-MELADBBJSA-N 1 0 303.468 2.137 10 0 DEAERO Cc1c([C@H](C)[NH2+]CC2OCCO2)cnn1-c1ccc(F)cc1 ZINC000182885691 649004047 /nfs/dbraw/zinc/00/40/47/649004047.db2.gz FZSUARMCTXRHGR-NSHDSACASA-N 1 0 305.353 2.343 10 0 DEAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1cccnc1Cl ZINC000182912085 649007488 /nfs/dbraw/zinc/00/74/88/649007488.db2.gz FBKXMDGYMQOMPU-FZMZJTMJSA-N 1 0 319.792 2.385 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000111716022 652618876 /nfs/dbraw/zinc/61/88/76/652618876.db2.gz GAWFKAJBTOEEJC-QWRGUYRKSA-N 1 0 318.389 2.247 10 0 DEAERO [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379659460 685393343 /nfs/dbraw/zinc/39/33/43/685393343.db2.gz ARYYMYQGYZXCJF-ZWKOTPCHSA-N 1 0 315.461 2.285 10 0 DEAERO CN1CCC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000382504425 685403804 /nfs/dbraw/zinc/40/38/04/685403804.db2.gz MDSVVQPDVBPZSH-ZNMIVQPWSA-N 1 0 311.470 2.364 10 0 DEAERO CN(Cc1cnc(N)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388450300 685427545 /nfs/dbraw/zinc/42/75/45/685427545.db2.gz VWEOFUSNQAZSCU-QGZVFWFLSA-N 1 0 311.433 2.155 10 0 DEAERO Cn1nccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000390807088 685442596 /nfs/dbraw/zinc/44/25/96/685442596.db2.gz LPURPSWDTWXZSY-OLZOCXBDSA-N 1 0 308.426 2.203 10 0 DEAERO Cc1noc(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)n1 ZINC000390779310 685443003 /nfs/dbraw/zinc/44/30/03/685443003.db2.gz PTZISCPGCBHEIH-BBRMVZONSA-N 1 0 300.406 2.173 10 0 DEAERO Cc1noc(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)n1 ZINC000390779311 685443162 /nfs/dbraw/zinc/44/31/62/685443162.db2.gz PTZISCPGCBHEIH-CJNGLKHVSA-N 1 0 300.406 2.173 10 0 DEAERO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390920352 685443783 /nfs/dbraw/zinc/44/37/83/685443783.db2.gz WXKMEMZSFYQPTD-GBESFXJTSA-N 1 0 318.461 2.435 10 0 DEAERO Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000037649896 683883487 /nfs/dbraw/zinc/88/34/87/683883487.db2.gz DFSSJYLYIAMIJT-ZDUSSCGKSA-N 1 0 304.415 2.493 10 0 DEAERO COCCOC[C@H]1CC[N@H+](C[C@@H](O)c2cc(C)cc(C)c2)C1 ZINC000075949394 683939216 /nfs/dbraw/zinc/93/92/16/683939216.db2.gz ILMUHIFAUGNBLR-FUHWJXTLSA-N 1 0 307.434 2.322 10 0 DEAERO CC[C@H]1CC(=O)N(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC000119279978 684079302 /nfs/dbraw/zinc/07/93/02/684079302.db2.gz HKUSAXSKDAUTGY-CABCVRRESA-N 1 0 323.481 2.075 10 0 DEAERO COCCC1(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)CCC1 ZINC000120288484 684094895 /nfs/dbraw/zinc/09/48/95/684094895.db2.gz GQHATFXAUZTORR-OAHLLOKOSA-N 1 0 313.438 2.093 10 0 DEAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000123038671 684121746 /nfs/dbraw/zinc/12/17/46/684121746.db2.gz LEEYLYSSNDVMOX-INIZCTEOSA-N 1 0 318.417 2.493 10 0 DEAERO COc1ccc(OC)c(C[N@H+](CCC2OCCO2)C2CC2)c1 ZINC000123575178 684126342 /nfs/dbraw/zinc/12/63/42/684126342.db2.gz RFNXHYZESBZHPR-UHFFFAOYSA-N 1 0 307.390 2.431 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000129509447 684180028 /nfs/dbraw/zinc/18/00/28/684180028.db2.gz OSQWDBJHPUGKMD-RNCFNFMXSA-N 1 0 317.216 2.143 10 0 DEAERO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000133344910 684218771 /nfs/dbraw/zinc/21/87/71/684218771.db2.gz WDYABHRSRQLREN-IRXDYDNUSA-N 1 0 308.466 2.023 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2nc(Br)cs2)CC1 ZINC000187505436 684339309 /nfs/dbraw/zinc/33/93/09/684339309.db2.gz FXYQEGVNBZNVPA-UHFFFAOYSA-N 1 0 318.240 2.072 10 0 DEAERO C/C(=C\C(=O)N1CCN(CCO)[C@H](C)C1)c1ccccc1Cl ZINC000188766286 684363860 /nfs/dbraw/zinc/36/38/60/684363860.db2.gz DEJYUGCRIBUTJV-YPDDLIOESA-N 1 0 322.836 2.268 10 0 DEAERO COc1cc2c(c(C[NH2+]CC3(C)OCCCO3)c1)O[C@H](C)C2 ZINC000192253172 684446368 /nfs/dbraw/zinc/44/63/68/684446368.db2.gz TZRUZYNKBFMJJH-GFCCVEGCSA-N 1 0 307.390 2.261 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000193246072 685035855 /nfs/dbraw/zinc/03/58/55/685035855.db2.gz WHVUGVANJAHREC-PXAZEXFGSA-N 1 0 308.397 2.225 10 0 DEAERO COCCO[C@@H]1CCC[N@H+](C[C@@H](O)c2cc(C)cc(C)c2)C1 ZINC000245857682 685119010 /nfs/dbraw/zinc/11/90/10/685119010.db2.gz KJOXDFDXTODPQH-QZTJIDSGSA-N 1 0 307.434 2.464 10 0 DEAERO CCOc1nn(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(=S)s1 ZINC000247048923 685141626 /nfs/dbraw/zinc/14/16/26/685141626.db2.gz LGQMTOJDYNXRDQ-GHMZBOCLSA-N 1 0 314.480 2.199 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000247644731 685151529 /nfs/dbraw/zinc/15/15/29/685151529.db2.gz UENIQGVOEUBLDP-DOTOQJQBSA-N 1 0 304.434 2.314 10 0 DEAERO CCCCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248397677 685158522 /nfs/dbraw/zinc/15/85/22/685158522.db2.gz SBSPHRSZBLHPOV-QWHCGFSZSA-N 1 0 324.387 2.318 10 0 DEAERO CC(C)[C@@](C)(CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000398536612 790278520 /nfs/dbraw/zinc/27/85/20/790278520.db2.gz DRWJNKMVFLKJSS-UKRRQHHQSA-N 1 0 301.814 2.076 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1C ZINC000722593479 776536813 /nfs/dbraw/zinc/53/68/13/776536813.db2.gz GVSRDUDUWXCWKY-LLVKDONJSA-N 1 0 302.465 2.031 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c1C ZINC000722593107 776537098 /nfs/dbraw/zinc/53/70/98/776537098.db2.gz APYXLOCGFYVENO-LBPRGKRZSA-N 1 0 314.476 2.094 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c1C ZINC000722594633 776540761 /nfs/dbraw/zinc/54/07/61/776540761.db2.gz VUJKQCSFCTWFIH-JTQLQIEISA-N 1 0 316.492 2.421 10 0 DEAERO Cn1cnc(CC[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000724091138 777239194 /nfs/dbraw/zinc/23/91/94/777239194.db2.gz IYPBDLXZFYAZSM-ZIAGYGMSSA-N 1 0 322.453 2.246 10 0 DEAERO C[C@@H]1C[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CCO1 ZINC000724104740 777241556 /nfs/dbraw/zinc/24/15/56/777241556.db2.gz OXZYNJGXORSDMD-UTLUCORTSA-N 1 0 305.287 2.340 10 0 DEAERO COCC1CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724110736 777243023 /nfs/dbraw/zinc/24/30/23/777243023.db2.gz JLEHKKMQOGPOBY-SNVBAGLBSA-N 1 0 305.287 2.293 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CCN1C ZINC000724119896 777245946 /nfs/dbraw/zinc/24/59/46/777245946.db2.gz NVOLQXQOYNVTKY-APIJFGDWSA-N 1 0 311.470 2.362 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC23CC(O)C3)CC1 ZINC000724913904 777518942 /nfs/dbraw/zinc/51/89/42/777518942.db2.gz MCLFDYMHZQNMCR-XOYHFGRZSA-N 1 0 310.438 2.137 10 0 DEAERO OCC[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1)C1CCCC1 ZINC000725104919 777586895 /nfs/dbraw/zinc/58/68/95/777586895.db2.gz MIXROPHUJQTZSB-QZTJIDSGSA-N 1 0 307.434 2.095 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000722570535 778790866 /nfs/dbraw/zinc/79/08/66/778790866.db2.gz JUWJTCXJANAKBA-VXGBXAGGSA-N 1 0 302.465 2.222 10 0 DEAERO CO[C@]1(C[NH2+][C@H](C)c2cccc(Cl)c2)CCS(=O)(=O)C1 ZINC000721261838 781075069 /nfs/dbraw/zinc/07/50/69/781075069.db2.gz SIDDKWWAUAJCFG-RISCZKNCSA-N 1 0 317.838 2.194 10 0 DEAERO CO[C@@]1(C[NH2+][C@@H](C)c2cccc(Cl)c2)CCS(=O)(=O)C1 ZINC000721261842 781075131 /nfs/dbraw/zinc/07/51/31/781075131.db2.gz SIDDKWWAUAJCFG-SMDDNHRTSA-N 1 0 317.838 2.194 10 0 DEAERO CO[C@]1(C[NH2+][C@@H](C)c2ccc(Cl)s2)CCS(=O)(=O)C1 ZINC000721213154 784250927 /nfs/dbraw/zinc/25/09/27/784250927.db2.gz RNUDZECOYIYKSJ-CABZTGNLSA-N 1 0 323.867 2.256 10 0 DEAERO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cnc3cc(C)ccn23)C1(C)C ZINC000186578239 784405624 /nfs/dbraw/zinc/40/56/24/784405624.db2.gz ZWZZDDGIUXYMAA-QAPCUYQASA-N 1 0 317.433 2.298 10 0 DEAERO Cc1sc2[nH]c([C@H](C)[N@H+](C)CC3CC(O)C3)nc(=O)c2c1C ZINC000190143723 786141833 /nfs/dbraw/zinc/14/18/33/786141833.db2.gz XYTGWBJMOFBPLF-GCVQQVDUSA-N 1 0 321.446 2.365 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)c1C ZINC000722568880 787333440 /nfs/dbraw/zinc/33/34/40/787333440.db2.gz AWQZKBQNUMGBBF-CABZTGNLSA-N 1 0 302.465 2.092 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC000723824782 787345418 /nfs/dbraw/zinc/34/54/18/787345418.db2.gz UMHYCVNEBQWYJL-TZMCWYRMSA-N 1 0 308.426 2.013 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724115480 787349811 /nfs/dbraw/zinc/34/98/11/787349811.db2.gz FKSJYQXVFQZYPN-RRFJBIMHSA-N 1 0 311.470 2.364 10 0 DEAERO CC(C)O[C@@H]1CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724115625 787349975 /nfs/dbraw/zinc/34/99/75/787349975.db2.gz SHIQRFMVAABGCI-ZJUUUORDSA-N 1 0 305.287 2.434 10 0 DEAERO CC(C)(C)C[C@H](CO)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724115611 787350019 /nfs/dbraw/zinc/35/00/19/787350019.db2.gz SEZDJNWJDBEREH-SCZZXKLOSA-N 1 0 307.303 2.322 10 0 DEAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724641298 787352394 /nfs/dbraw/zinc/35/23/94/787352394.db2.gz UEVSGVYJVHGTJB-BZSNNMDCSA-N 1 0 318.461 2.291 10 0 DEAERO O=C(OCc1ccccc1)N1CC([NH2+][C@H]2CCCSC2)C1 ZINC000397344973 790177370 /nfs/dbraw/zinc/17/73/70/790177370.db2.gz GBZFGLIJDHPZRV-AWEZNQCLSA-N 1 0 306.431 2.493 10 0 DEAERO Cc1csc(CC[NH2+]Cc2cn(C)nc2Br)n1 ZINC000712395555 792185759 /nfs/dbraw/zinc/18/57/59/792185759.db2.gz WPGGQWKPOKQTOI-UHFFFAOYSA-N 1 0 315.240 2.280 10 0 DEAERO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccccc1Cl ZINC000712505449 792190040 /nfs/dbraw/zinc/19/00/40/792190040.db2.gz GLPVDXGWDSULRZ-UHFFFAOYSA-N 1 0 302.827 2.103 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000712610246 792193682 /nfs/dbraw/zinc/19/36/82/792193682.db2.gz YFWAQXBXHGZBCD-IAGOWNOFSA-N 1 0 317.433 2.081 10 0 DEAERO CO[C@@H]1C[C@H]([NH2+]Cc2nc(Br)c[nH]2)C12CCC2 ZINC000713492931 792234479 /nfs/dbraw/zinc/23/44/79/792234479.db2.gz OIOOHVBDGKNNLC-DTWKUNHWSA-N 1 0 300.200 2.219 10 0 DEAERO COCC1CC([NH2+]Cc2c(Br)c(C)nn2C)C1 ZINC000713919227 792260601 /nfs/dbraw/zinc/26/06/01/792260601.db2.gz ZIGRSRVEGCTHPG-UHFFFAOYSA-N 1 0 302.216 2.006 10 0 DEAERO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)cn1 ZINC000714343254 792308617 /nfs/dbraw/zinc/30/86/17/792308617.db2.gz VPPVUYSFJCCCON-PWSUYJOCSA-N 1 0 302.827 2.353 10 0 DEAERO [NH3+]C1CC(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000715108496 792382828 /nfs/dbraw/zinc/38/28/28/792382828.db2.gz FYMWULOAEIVLBZ-UHFFFAOYSA-N 1 0 309.218 2.009 10 0 DEAERO [NH3+]C1CC(CNS(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000715097414 792383010 /nfs/dbraw/zinc/38/30/10/792383010.db2.gz QJDGABJEEZRLSF-UHFFFAOYSA-N 1 0 315.247 2.071 10 0 DEAERO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)c1cn(C)nn1 ZINC000715876278 792528742 /nfs/dbraw/zinc/52/87/42/792528742.db2.gz HWYLXYCKVJRRNM-DRZSPHRISA-N 1 0 323.441 2.158 10 0 DEAERO C[C@@H](C[NH2+]Cc1nc(Br)c[nH]1)CC1(C)OCCO1 ZINC000715997675 792560999 /nfs/dbraw/zinc/56/09/99/792560999.db2.gz KJKVUNXIIDMJHN-SECBINFHSA-N 1 0 318.215 2.051 10 0 DEAERO CS(=O)(=O)C1CC([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000716143194 792571997 /nfs/dbraw/zinc/57/19/97/792571997.db2.gz UJDPAILPDGCVKD-UHFFFAOYSA-N 1 0 307.337 2.371 10 0 DEAERO C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000716544663 792979447 /nfs/dbraw/zinc/97/94/47/792979447.db2.gz JAEGTZKHTCEFOP-MRVPVSSYSA-N 1 0 308.856 2.068 10 0 DEAERO COC(=O)[C@@H](C)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716671326 792983975 /nfs/dbraw/zinc/98/39/75/792983975.db2.gz GBBQVQFETGPTQK-XBVQOTNRSA-N 1 0 302.418 2.191 10 0 DEAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccc(Br)s1 ZINC000716775780 793006568 /nfs/dbraw/zinc/00/65/68/793006568.db2.gz WSDCGFIYVCXDSI-JECWYVHBSA-N 1 0 303.225 2.425 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](O)C(F)F ZINC000716751139 793004579 /nfs/dbraw/zinc/00/45/79/793004579.db2.gz DMKRYZQCFFOZOQ-TUAOUCFPSA-N 1 0 322.396 2.286 10 0 DEAERO C[C@H]([NH2+]CC[C@H](O)C(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000716764904 793006382 /nfs/dbraw/zinc/00/63/82/793006382.db2.gz LRMIAXGYBCIUIT-SRVKXCTJSA-N 1 0 322.396 2.238 10 0 DEAERO [NH3+][C@H]1CN(CCCOCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000717152398 799256503 /nfs/dbraw/zinc/25/65/03/799256503.db2.gz RBLUMKNMJWUTPY-IUCAKERBSA-N 1 0 308.266 2.167 10 0 DEAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cscc1C(F)(F)F)C2 ZINC000717207364 799259893 /nfs/dbraw/zinc/25/98/93/799259893.db2.gz KMEGYOMRRPPDJN-QPUJVOFHSA-N 1 0 304.337 2.448 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)OCCC[NH+]2CCCC2)cc1 ZINC000800218130 799344048 /nfs/dbraw/zinc/34/40/48/799344048.db2.gz YAOMUDFTCZQOTP-UHFFFAOYSA-N 1 0 304.390 2.312 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[NH2+]C23CCCC3)s1 ZINC000401452457 801829078 /nfs/dbraw/zinc/82/90/78/801829078.db2.gz XJCKUYYXIOLALW-LBPRGKRZSA-N 1 0 314.476 2.318 10 0 DEAERO CC1(C)COC[C@@H]1[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401952605 801859100 /nfs/dbraw/zinc/85/91/00/801859100.db2.gz VUABDTVPGQIDHQ-HOTGVXAUSA-N 1 0 318.417 2.412 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnccn2)C12CCC2 ZINC000404771845 802030954 /nfs/dbraw/zinc/03/09/54/802030954.db2.gz ZQPPVODVYYSMOD-KGLIPLIRSA-N 1 0 318.421 2.402 10 0 DEAERO CC(C)[C@H](O)C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405294143 802047944 /nfs/dbraw/zinc/04/79/44/802047944.db2.gz ZWMCRBWUXMENEW-MGPQQGTHSA-N 1 0 312.454 2.429 10 0 DEAERO C[C@@H]1OC[C@H]([NH2+]CCCn2cc(Br)cn2)[C@@H]1C ZINC000405649486 802076169 /nfs/dbraw/zinc/07/61/69/802076169.db2.gz QJIHOYPCACTYGM-SCVCMEIPSA-N 1 0 302.216 2.049 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[NH2+]CC(C)(C)CCO)C1 ZINC000711488887 1087133735 /nfs/dbraw/zinc/13/37/35/1087133735.db2.gz AIXMRTJVEVXOPE-BETUJISGSA-N 1 0 300.443 2.288 10 0 DEAERO Clc1ccc(Br)c(C[NH2+]CCn2cncn2)c1 ZINC000080516515 1080985312 /nfs/dbraw/zinc/98/53/12/1080985312.db2.gz GNVFMOBXFMLNQQ-UHFFFAOYSA-N 1 0 315.602 2.484 10 0 DEAERO OC1(CCNc2cccnn2)CC[NH+](Cc2ccccc2)CC1 ZINC000718019966 1081865042 /nfs/dbraw/zinc/86/50/42/1081865042.db2.gz MFVXAJFCMGSILG-UHFFFAOYSA-N 1 0 312.417 2.306 10 0 DEAERO C[C@@H](NS(=O)(=O)CCC(C)(C)C1CC1)C1CC[NH2+]CC1 ZINC000718023765 1081865051 /nfs/dbraw/zinc/86/50/51/1081865051.db2.gz QHLNGMZOVSSVGF-GFCCVEGCSA-N 1 0 302.484 2.120 10 0 DEAERO CC[C@H]([NH2+]Cc1cc(Br)nn1C)[C@H]1CCCOC1 ZINC000724015567 1082460160 /nfs/dbraw/zinc/46/01/60/1082460160.db2.gz VXBNEHUOFMZEPN-JQWIXIFHSA-N 1 0 316.243 2.477 10 0 DEAERO CSC1CCC(C[NH2+][C@H]2CCCS(=O)(=O)CC2)CC1 ZINC000720556132 1085483436 /nfs/dbraw/zinc/48/34/36/1085483436.db2.gz GFDDOGRPIQWMKL-MOKVOYLWSA-N 1 0 305.509 2.465 10 0 DEAERO CC[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2Br)CCO1 ZINC000720644803 1085809184 /nfs/dbraw/zinc/80/91/84/1085809184.db2.gz GJQCRVRUQBPIJT-WDEREUQCSA-N 1 0 302.216 2.230 10 0 DEAERO Cn1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(Br)n1 ZINC000720657858 1085819426 /nfs/dbraw/zinc/81/94/26/1085819426.db2.gz VMRXBLNYRQGENH-AXFHLTTASA-N 1 0 314.227 2.086 10 0 DEAERO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cccc(Cl)c1C ZINC000720837595 1086205743 /nfs/dbraw/zinc/20/57/43/1086205743.db2.gz WDXZGPBTSXMCTB-UHFFFAOYSA-N 1 0 304.843 2.267 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1cnn(C)c1 ZINC000700737924 1086333643 /nfs/dbraw/zinc/33/36/43/1086333643.db2.gz VQAFPUZZTZZSGQ-SGMGOOAPSA-N 1 0 308.426 2.469 10 0 DEAERO CCO[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000701174310 1086354871 /nfs/dbraw/zinc/35/48/71/1086354871.db2.gz REAITFYYHUCRDM-INCYKZHSSA-N 1 0 314.838 2.237 10 0 DEAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1nccn1C ZINC000701865605 1086388731 /nfs/dbraw/zinc/38/87/31/1086388731.db2.gz UBGGVOAWYRLKBC-POZPTJLLSA-N 1 0 320.437 2.470 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@H]1CCn3ccnc31)C2 ZINC000701917378 1086393081 /nfs/dbraw/zinc/39/30/81/1086393081.db2.gz AJHQWUJVVXYWBO-JZLYGMAVSA-N 1 0 318.421 2.317 10 0 DEAERO C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701932867 1086395338 /nfs/dbraw/zinc/39/53/38/1086395338.db2.gz ZWPMMSQEOQFPAY-IDUWUTMCSA-N 1 0 310.438 2.399 10 0 DEAERO C[C@H]1CN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC000702337964 1086424740 /nfs/dbraw/zinc/42/47/40/1086424740.db2.gz KWIGOOINYIPWAG-ZBFHGGJFSA-N 1 0 303.450 2.093 10 0 DEAERO COC[C@H](C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000704491422 1086583223 /nfs/dbraw/zinc/58/32/23/1086583223.db2.gz UUCAXMMKTXUGJV-HOCLYGCPSA-N 1 0 306.406 2.270 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000705094968 1086600843 /nfs/dbraw/zinc/60/08/43/1086600843.db2.gz GGGKVHVOUVSHTJ-BSXFFOKHSA-N 1 0 324.465 2.384 10 0 DEAERO CC1(O)CCC([NH2+]CCCn2cc(Br)cn2)CC1 ZINC000705729506 1086624102 /nfs/dbraw/zinc/62/41/02/1086624102.db2.gz VPHNMNWLNRWJTG-UHFFFAOYSA-N 1 0 316.243 2.319 10 0 DEAERO Cc1ccncc1C[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000705923597 1086626106 /nfs/dbraw/zinc/62/61/06/1086626106.db2.gz QFFOGGMZKAPAHH-UHFFFAOYSA-N 1 0 323.437 2.363 10 0 DEAERO CC[C@@H]1C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)CO1 ZINC000705921334 1086626369 /nfs/dbraw/zinc/62/63/69/1086626369.db2.gz DGCMMHRQNKQFFF-UONOGXRCSA-N 1 0 316.442 2.027 10 0 DEAERO COCC(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705933912 1086627539 /nfs/dbraw/zinc/62/75/39/1086627539.db2.gz MWONRWRLSQHIRD-QZTJIDSGSA-N 1 0 302.418 2.003 10 0 DEAERO CN(CCOCCNCc1cscn1)C(=O)OC(C)(C)C ZINC000706576205 1086641597 /nfs/dbraw/zinc/64/15/97/1086641597.db2.gz XELSRDQMYPRFEH-UHFFFAOYSA-N 1 0 315.439 2.116 10 0 DEAERO C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)N(C)C ZINC000707938975 1086675347 /nfs/dbraw/zinc/67/53/47/1086675347.db2.gz CWGHFHIXKFGTPH-XQLPTFJDSA-N 1 0 311.470 2.314 10 0 DEAERO Brc1cccnc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709827346 1086684582 /nfs/dbraw/zinc/68/45/82/1086684582.db2.gz KASNZTCWGNWKQY-CQSZACIVSA-N 1 0 310.239 2.420 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]CCCN2CCOC2=O)CCN1Cc1ccccc1 ZINC000709785493 1086684893 /nfs/dbraw/zinc/68/48/93/1086684893.db2.gz KNVZCPJQCJVPLW-WBVHZDCISA-N 1 0 317.433 2.081 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000710947385 1086691748 /nfs/dbraw/zinc/69/17/48/1086691748.db2.gz NYFFRAPUQGLUTG-QWHCGFSZSA-N 1 0 316.442 2.277 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1sccc1Br ZINC000711246835 1087038179 /nfs/dbraw/zinc/03/81/79/1087038179.db2.gz BWVMIHSPAPKQCY-MRVPVSSYSA-N 1 0 317.252 2.372 10 0 DEAERO CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)OC1 ZINC000711340443 1087068666 /nfs/dbraw/zinc/06/86/66/1087068666.db2.gz UIIFGPJEJURYPY-MCIONIFRSA-N 1 0 303.468 2.137 10 0 DEAERO Brc1c[nH]c(C[NH2+]C[C@H]2CCC3(CCC3)O2)n1 ZINC000711484976 1087134974 /nfs/dbraw/zinc/13/49/74/1087134974.db2.gz QBZBKCZBSDRDLD-SECBINFHSA-N 1 0 300.200 2.364 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000711510493 1087145233 /nfs/dbraw/zinc/14/52/33/1087145233.db2.gz YOAQWCODXNVVLX-PMOUVXMZSA-N 1 0 310.438 2.447 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711585438 1087166842 /nfs/dbraw/zinc/16/68/42/1087166842.db2.gz QXMANCLIWXHFRE-KGLIPLIRSA-N 1 0 314.838 2.211 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711630111 1087178664 /nfs/dbraw/zinc/17/86/64/1087178664.db2.gz ABUPNXWEOSPCME-GXFFZTMASA-N 1 0 313.195 2.365 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000711646684 1087185856 /nfs/dbraw/zinc/18/58/56/1087185856.db2.gz IPMZRXIPEBXUMU-ZIAGYGMSSA-N 1 0 314.838 2.211 10 0 DEAERO Clc1cnc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)s1 ZINC000719386265 1089053283 /nfs/dbraw/zinc/05/32/83/1089053283.db2.gz RWSVMTUGLMJIPC-VHSXEESVSA-N 1 0 303.884 2.466 10 0 DEAERO C[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2Br)CC[N@@H+]1C ZINC000719387640 1089059171 /nfs/dbraw/zinc/05/91/71/1089059171.db2.gz KYWAZBSTGXRJNV-PELKAZGASA-N 1 0 315.186 2.411 10 0 DEAERO CO[C@]1(CO)CCC[N@H+](C[C@H](C)COCc2ccccc2)C1 ZINC000719494623 1089275802 /nfs/dbraw/zinc/27/58/02/1089275802.db2.gz CFGBRVVNDNWLOW-FUHWJXTLSA-N 1 0 307.434 2.313 10 0 DEAERO Cc1ccc(C[NH2+]CCn2cncn2)c(C)c1Br ZINC000719548340 1089288899 /nfs/dbraw/zinc/28/88/99/1089288899.db2.gz ZJMDGKMCYMXIQF-UHFFFAOYSA-N 1 0 309.211 2.447 10 0 DEAERO C[C@@H]1[C@@H]([NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)CCN1C ZINC000719570404 1089305547 /nfs/dbraw/zinc/30/55/47/1089305547.db2.gz OFKGCQFQHZLBLM-PVAVHDDUSA-N 1 0 317.433 2.080 10 0 DEAERO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)[C@H]1CCCOC1 ZINC000724100010 1143949452 /nfs/dbraw/zinc/94/94/52/1143949452.db2.gz ASMJEEXFIFEINC-LPEHRKFASA-N 1 0 305.287 2.340 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCc1cc2ccccc2[nH]1 ZINC000136520730 282087860 /nfs/dbraw/zinc/08/78/60/282087860.db2.gz FCSSWSZOTOUHQV-HNNXBMFYSA-N 1 0 300.406 2.104 10 0 DEAERO CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H]1CCC12CCCC2 ZINC000359053183 282091622 /nfs/dbraw/zinc/09/16/22/282091622.db2.gz IZULPIYPGABKOM-MRXNPFEDSA-N 1 0 324.513 2.234 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1Sc1nccc(=O)[nH]1 ZINC000081774703 192323016 /nfs/dbraw/zinc/32/30/16/192323016.db2.gz IJEJQTQCVAOCNR-JSGCOSHPSA-N 1 0 303.387 2.386 10 0 DEAERO Cc1cccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000138134512 282098657 /nfs/dbraw/zinc/09/86/57/282098657.db2.gz ABAUJIIDCOMDCQ-UHFFFAOYSA-N 1 0 304.438 2.310 10 0 DEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1 ZINC000280715951 282102275 /nfs/dbraw/zinc/10/22/75/282102275.db2.gz BQTAJICGSSENBG-RZFFKMDDSA-N 1 0 315.425 2.032 10 0 DEAERO C[NH2+][C@H](CSCCC(=O)OC)c1cc(OC)ccc1OC ZINC000081790234 192324587 /nfs/dbraw/zinc/32/45/87/192324587.db2.gz AGWUNHJNMACSGU-CYBMUJFWSA-N 1 0 313.419 2.261 10 0 DEAERO C[NH2+][C@@H](CSc1nc[nH]n1)c1ccc2c(c1)OCCCO2 ZINC000081849577 192331455 /nfs/dbraw/zinc/33/14/55/192331455.db2.gz NJUVHWGGVBAJNI-NSHDSACASA-N 1 0 306.391 2.019 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@@H]1Sc1nc(CCC)cc(=O)[nH]1 ZINC000081864674 192332987 /nfs/dbraw/zinc/33/29/87/192332987.db2.gz GAXCOUYZNHXMOG-STQMWFEESA-N 1 0 311.451 2.384 10 0 DEAERO [NH3+][C@@H]1c2ccccc2CC[C@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000081880213 192334035 /nfs/dbraw/zinc/33/40/35/192334035.db2.gz DFKJUTLLEOQCTN-CHWSQXEVSA-N 1 0 302.403 2.013 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1Sc1ncc(C)cn1)OCCO2 ZINC000081893742 192334624 /nfs/dbraw/zinc/33/46/24/192334624.db2.gz VMUIREOPBVNARU-CHWSQXEVSA-N 1 0 309.435 2.151 10 0 DEAERO CSCC[C@H](C)N(C)S(=O)(=O)c1cc(C)c(C[NH3+])s1 ZINC000162567900 197574955 /nfs/dbraw/zinc/57/49/55/197574955.db2.gz MIPBFVPHLLMBSQ-JTQLQIEISA-N 1 0 322.521 2.277 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)C(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000081924118 192339641 /nfs/dbraw/zinc/33/96/41/192339641.db2.gz JSMJTVDGFLADOG-LBPRGKRZSA-N 1 0 315.435 2.178 10 0 DEAERO COc1cccc(S(=O)(=O)[C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000081923355 192340195 /nfs/dbraw/zinc/34/01/95/192340195.db2.gz NNVNOCJFRLVCOT-HZPDHXFCSA-N 1 0 303.383 2.094 10 0 DEAERO c1ccc(N2C[C@@H]3C[N@H+](CCOC4CCOCC4)C[C@@H]3C2)cc1 ZINC000625094880 365641520 /nfs/dbraw/zinc/64/15/20/365641520.db2.gz BCULYQGFKBYCFY-CALCHBBNSA-N 1 0 316.445 2.250 10 0 DEAERO CCC[C@@H]([NH3+])CS(=O)(=O)c1ccccc1Br ZINC000081931337 192341660 /nfs/dbraw/zinc/34/16/60/192341660.db2.gz LFWARCKRFACXOT-SECBINFHSA-N 1 0 306.225 2.350 10 0 DEAERO CC[C@@H](C)S(=O)(=O)C[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000081937070 192342662 /nfs/dbraw/zinc/34/26/62/192342662.db2.gz HCQXUQLHQGKDGX-YPMHNXCESA-N 1 0 315.435 2.178 10 0 DEAERO C[NH2+][C@@H](C)CCCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936054 192342825 /nfs/dbraw/zinc/34/28/25/192342825.db2.gz CNOBVZNIIHRKRT-LBPRGKRZSA-N 1 0 313.419 2.010 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000116793723 282139803 /nfs/dbraw/zinc/13/98/03/282139803.db2.gz ABWLLNUNJMGAOR-NSHDSACASA-N 1 0 316.323 2.108 10 0 DEAERO Nc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1Br ZINC000078897949 185125595 /nfs/dbraw/zinc/12/55/95/185125595.db2.gz WAYQALLMJUODQR-NSHDSACASA-N 1 0 310.239 2.358 10 0 DEAERO CCOC(=O)[C@](C)(NCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000078901558 185126006 /nfs/dbraw/zinc/12/60/06/185126006.db2.gz ZFLNSDCOUGSNJD-OAHLLOKOSA-N 1 0 316.804 2.409 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC1(O)CCCC1 ZINC000152388267 282143167 /nfs/dbraw/zinc/14/31/67/282143167.db2.gz FTPNJSDYPKFSCC-OAHLLOKOSA-N 1 0 311.470 2.053 10 0 DEAERO CCOC1([C@H]([NH3+])[C@H]2CCC[C@H](S(C)(=O)=O)C2)CCCC1 ZINC000164684585 197661725 /nfs/dbraw/zinc/66/17/25/197661725.db2.gz DIBLRYHJGGEMOS-MELADBBJSA-N 1 0 303.468 2.266 10 0 DEAERO C[C@@H](O)c1ccc(N2CC[NH+](CC(C)(C)O)CC2)cc1Cl ZINC000078944936 185133116 /nfs/dbraw/zinc/13/31/16/185133116.db2.gz HTWKCRBAHVEYNK-GFCCVEGCSA-N 1 0 312.841 2.286 10 0 DEAERO C[C@@H](O)c1ccc(N2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000078944581 185133227 /nfs/dbraw/zinc/13/32/27/185133227.db2.gz WWHORFDMWKGBHZ-CYBMUJFWSA-N 1 0 311.857 2.077 10 0 DEAERO CCCS(=O)(=O)[C@@H]1CCc2cc(OC)ccc2[C@@H]1[NH2+]CC ZINC000081941682 192344483 /nfs/dbraw/zinc/34/44/83/192344483.db2.gz UPTNKQQTOLQYAY-CVEARBPZSA-N 1 0 311.447 2.485 10 0 DEAERO Cc1ccc(S(C)(=O)=O)cc1NC(=O)CC[C@@H](C)CC[NH3+] ZINC000079117500 185159355 /nfs/dbraw/zinc/15/93/55/185159355.db2.gz JEXPQUHGXLHXAL-LLVKDONJSA-N 1 0 312.435 2.102 10 0 DEAERO CC[C@@H](CC[NH3+])CCC(=O)N(CCOC)[C@@H]1CCSC1 ZINC000079210223 185161464 /nfs/dbraw/zinc/16/14/64/185161464.db2.gz JIYSHWIFMPPGFV-ZIAGYGMSSA-N 1 0 302.484 2.122 10 0 DEAERO COCCN(C(=O)CC[C@H](CC[NH3+])C(C)C)[C@H]1CCSC1 ZINC000079276830 185162981 /nfs/dbraw/zinc/16/29/81/185162981.db2.gz OEUPKDMDIOZCBJ-CABCVRRESA-N 1 0 316.511 2.368 10 0 DEAERO CC(C)(C)[C@H]1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000079358441 185166862 /nfs/dbraw/zinc/16/68/62/185166862.db2.gz OAEZEDQPGATMEF-UONOGXRCSA-N 1 0 302.484 2.216 10 0 DEAERO CCC[C@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000079358261 185166903 /nfs/dbraw/zinc/16/69/03/185166903.db2.gz SFKIOLGPRJSUJQ-AWEZNQCLSA-N 1 0 302.484 2.218 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000079527368 185173928 /nfs/dbraw/zinc/17/39/28/185173928.db2.gz YTESPQWANLFEQF-AWEZNQCLSA-N 1 0 305.422 2.473 10 0 DEAERO C[NH2+]Cc1ccc(Br)cc1SCC(=O)OC ZINC000082616153 185191082 /nfs/dbraw/zinc/19/10/82/185191082.db2.gz CJEDIPRHNISKGA-UHFFFAOYSA-N 1 0 304.209 2.434 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)CCOC)c1c(C)cc(C)cc1C ZINC000081944441 192345921 /nfs/dbraw/zinc/34/59/21/192345921.db2.gz ZTSYKOXDNDGGPU-OAHLLOKOSA-N 1 0 313.463 2.324 10 0 DEAERO C[C@H]([NH3+])C[C@H](C)S(=O)(=O)c1ccccc1Br ZINC000082798461 185204871 /nfs/dbraw/zinc/20/48/71/185204871.db2.gz OTTQLNAXKZSDGK-IUCAKERBSA-N 1 0 306.225 2.349 10 0 DEAERO C[C@H](C[C@H](C)[NH3+])S(=O)(=O)c1ccccc1Br ZINC000082798459 185205164 /nfs/dbraw/zinc/20/51/64/185205164.db2.gz OTTQLNAXKZSDGK-DTWKUNHWSA-N 1 0 306.225 2.349 10 0 DEAERO CCC(CC)CS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000173831337 282172188 /nfs/dbraw/zinc/17/21/88/282172188.db2.gz XTHTVIMIFYHDNM-LSDHHAIUSA-N 1 0 302.484 2.311 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](C3CCOCC3)CC2)o1 ZINC000083184450 185216935 /nfs/dbraw/zinc/21/69/35/185216935.db2.gz YSEZLKHZCXAJHD-CQSZACIVSA-N 1 0 321.421 2.155 10 0 DEAERO CCC[C@H](C[NH3+])NC(=O)c1ccc(F)cc1Br ZINC000087387782 185223395 /nfs/dbraw/zinc/22/33/95/185223395.db2.gz ZFOFFPHHTNXVEU-SECBINFHSA-N 1 0 303.175 2.445 10 0 DEAERO CC(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000087404608 185223806 /nfs/dbraw/zinc/22/38/06/185223806.db2.gz ITCQFKSSQNUPND-NSHDSACASA-N 1 0 311.234 2.255 10 0 DEAERO CC(C)[C@H](C[NH3+])Nc1ccccc1S(=O)(=O)C(F)(F)F ZINC000087405799 185224140 /nfs/dbraw/zinc/22/41/40/185224140.db2.gz IPXDWQCCNQWFKE-JTQLQIEISA-N 1 0 310.341 2.375 10 0 DEAERO COc1ccc(Br)cc1C[C@@H]([NH3+])c1cnn(C)c1 ZINC000087422940 185224235 /nfs/dbraw/zinc/22/42/35/185224235.db2.gz WDANUBQBJCZCGW-GFCCVEGCSA-N 1 0 310.195 2.434 10 0 DEAERO COc1ccc(C[C@@H]([NH3+])c2ccn(C)n2)cc1Br ZINC000087424184 185224365 /nfs/dbraw/zinc/22/43/65/185224365.db2.gz NUFGYPFBOKFOHN-LLVKDONJSA-N 1 0 310.195 2.434 10 0 DEAERO CN(C)CC[NH2+]CCOc1ccc(Br)c(F)c1 ZINC000087437118 185224962 /nfs/dbraw/zinc/22/49/62/185224962.db2.gz MFUQBHHRDPVZQL-UHFFFAOYSA-N 1 0 305.191 2.118 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)Nc1cc(Br)ccc1N(C)C ZINC000087520164 185227677 /nfs/dbraw/zinc/22/76/77/185227677.db2.gz GCJVKXVZTWOHOH-VIFPVBQESA-N 1 0 314.227 2.439 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000087532107 185227689 /nfs/dbraw/zinc/22/76/89/185227689.db2.gz XSMXAHQDDKKKFX-JTQLQIEISA-N 1 0 309.797 2.390 10 0 DEAERO C[NH2+]C1(CC(=O)N(CCOC)[C@@H]2CCSC2)CCCCC1 ZINC000087577193 185228875 /nfs/dbraw/zinc/22/88/75/185228875.db2.gz BKFOXDURGGOCPL-CQSZACIVSA-N 1 0 314.495 2.279 10 0 DEAERO CCOC(=O)CN(CC(C)C)C(=O)[C@H](C)CCC[C@H](C)[NH3+] ZINC000087696163 185230764 /nfs/dbraw/zinc/23/07/64/185230764.db2.gz WMFBJULZSXDQJX-KGLIPLIRSA-N 1 0 300.443 2.188 10 0 DEAERO Cc1cc(NC(=O)C[NH2+]C2C3CC4CC(C3)CC2C4)n(C)n1 ZINC000328800594 231350574 /nfs/dbraw/zinc/35/05/74/231350574.db2.gz YNRDSXFRUFCVLB-UHFFFAOYSA-N 1 0 302.422 2.081 10 0 DEAERO CCN(c1cccc2ccccc21)S(=O)(=O)[C@H]1CC[NH2+]C1 ZINC000088056126 185238214 /nfs/dbraw/zinc/23/82/14/185238214.db2.gz JXJXYSMWKLCIMZ-AWEZNQCLSA-N 1 0 304.415 2.358 10 0 DEAERO C[NH2+][C@@H](Cc1cc(F)ccc1Br)[C@H]1COCCO1 ZINC000087857828 185233880 /nfs/dbraw/zinc/23/38/80/185233880.db2.gz LYACJXPPDOIBPQ-QWHCGFSZSA-N 1 0 318.186 2.134 10 0 DEAERO CCN(C)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000173498954 282191150 /nfs/dbraw/zinc/19/11/50/282191150.db2.gz VZYISIAJMMTZBG-QGZVFWFLSA-N 1 0 319.449 2.093 10 0 DEAERO O=C(C[C@H]1CCCCNC1=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000328867726 231370882 /nfs/dbraw/zinc/37/08/82/231370882.db2.gz OKKXBJVGHIKLAK-JKSUJKDBSA-N 1 0 321.465 2.468 10 0 DEAERO CN1CC[N@H+](CCc2csc(N)n2)[C@H](c2ccccc2)C1 ZINC000088193196 185241502 /nfs/dbraw/zinc/24/15/02/185241502.db2.gz VWUOOHNRXFLVEP-HNNXBMFYSA-N 1 0 302.447 2.257 10 0 DEAERO COc1cc(C[NH2+]C[C@H](C)CO)cc(Br)c1OC ZINC000088195353 185241580 /nfs/dbraw/zinc/24/15/80/185241580.db2.gz ZZQBUWOBSZMBSP-VIFPVBQESA-N 1 0 318.211 2.184 10 0 DEAERO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000174351457 282193597 /nfs/dbraw/zinc/19/35/97/282193597.db2.gz ASBINLYGQMCIRW-AAEUAGOBSA-N 1 0 311.376 2.462 10 0 DEAERO CCn1ccnc(N2CCC([NH2+]C[C@@H]3CC=CCC3)CC2)c1=O ZINC000328655186 529547797 /nfs/dbraw/zinc/54/77/97/529547797.db2.gz YCQWWHPNELLFAY-OAHLLOKOSA-N 1 0 316.449 2.178 10 0 DEAERO [NH3+][C@@H]1CCCN(c2c3nsnc3c(Cl)cc2Cl)C1=O ZINC000088128027 185240300 /nfs/dbraw/zinc/24/03/00/185240300.db2.gz YESBIHYRGCJLTH-SSDOTTSWSA-N 1 0 317.201 2.452 10 0 DEAERO CC[NH2+]CCC(=O)Nc1cc(OC)ccc1Br ZINC000088321211 185245475 /nfs/dbraw/zinc/24/54/75/185245475.db2.gz UOCONIYHMKLUHM-UHFFFAOYSA-N 1 0 301.184 2.396 10 0 DEAERO CCCc1nnsc1C(=O)N1CC[NH2+]CC12CCCCC2 ZINC000088395967 185248574 /nfs/dbraw/zinc/24/85/74/185248574.db2.gz RXEMOOUKDVZGRH-UHFFFAOYSA-N 1 0 308.451 2.239 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N1CCC(C(F)(F)F)CC1 ZINC000088417175 185249122 /nfs/dbraw/zinc/24/91/22/185249122.db2.gz ZQRPMJNOQHZZSG-OLZOCXBDSA-N 1 0 304.360 2.473 10 0 DEAERO CCN[C@H](CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OCC ZINC000088435369 185250431 /nfs/dbraw/zinc/25/04/31/185250431.db2.gz HZGNKXFECDVTET-NWDGAFQWSA-N 1 0 310.360 2.192 10 0 DEAERO NNc1[nH+]cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000088438633 185250688 /nfs/dbraw/zinc/25/06/88/185250688.db2.gz HWRQPKNRUHDROY-MRVPVSSYSA-N 1 0 322.718 2.435 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C(C)C)o1 ZINC000088543848 185256813 /nfs/dbraw/zinc/25/68/13/185256813.db2.gz RZDFJKQKYKPZIS-LBPRGKRZSA-N 1 0 302.440 2.444 10 0 DEAERO CSCCCNS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088551132 185257303 /nfs/dbraw/zinc/25/73/03/185257303.db2.gz IATTYHYVCMSHGI-UHFFFAOYSA-N 1 0 320.480 2.057 10 0 DEAERO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])o1 ZINC000088551336 185257352 /nfs/dbraw/zinc/25/73/52/185257352.db2.gz HBDSLHJKTJDJQO-PSOPSSQASA-N 1 0 312.435 2.231 10 0 DEAERO C[C@@H]1CCC[C@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000088539573 185255434 /nfs/dbraw/zinc/25/54/34/185255434.db2.gz GITUKNBNBGBCBB-VXGBXAGGSA-N 1 0 300.424 2.233 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000088551571 185257451 /nfs/dbraw/zinc/25/74/51/185257451.db2.gz QFRHJTPFZRTYDH-JSGCOSHPSA-N 1 0 312.435 2.342 10 0 DEAERO C[C@@H]1CCCN1S(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088543312 185256057 /nfs/dbraw/zinc/25/60/57/185256057.db2.gz LBDNYABHWKXODO-LLVKDONJSA-N 1 0 300.424 2.341 10 0 DEAERO CC[C@@H](NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1)C(C)C ZINC000088542977 185256168 /nfs/dbraw/zinc/25/61/68/185256168.db2.gz QFRRQFOCIJHGBA-CYBMUJFWSA-N 1 0 302.440 2.491 10 0 DEAERO C[NH2+][C@@H]1CCC[C@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982651 192349013 /nfs/dbraw/zinc/34/90/13/192349013.db2.gz LDKJXTCJKQPJJX-VXGBXAGGSA-N 1 0 318.236 2.363 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)CC2)o1 ZINC000088550936 185257630 /nfs/dbraw/zinc/25/76/30/185257630.db2.gz HRCZRBJGBLIFSM-LBPRGKRZSA-N 1 0 300.424 2.200 10 0 DEAERO CCC[NH2+][C@@H](c1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 ZINC000088556544 185257962 /nfs/dbraw/zinc/25/79/62/185257962.db2.gz STBYYLSAGZKCHY-GDBMZVCRSA-N 1 0 311.447 2.308 10 0 DEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1sc2ncccc2c1N ZINC000088641864 185261016 /nfs/dbraw/zinc/26/10/16/185261016.db2.gz UFPZPEFIVKZIAN-SNVBAGLBSA-N 1 0 304.419 2.093 10 0 DEAERO C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2cccc(F)c2C[NH3+])C1 ZINC000088704749 185262658 /nfs/dbraw/zinc/26/26/58/185262658.db2.gz YGJLMWWVRLZUMF-MNOVXSKESA-N 1 0 300.399 2.094 10 0 DEAERO CC(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C(N)=S)c1 ZINC000088836974 185266960 /nfs/dbraw/zinc/26/69/60/185266960.db2.gz XXHWFMYQAZXKFC-CQSZACIVSA-N 1 0 305.447 2.380 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)C1CCOCC1)c1ccccc1C ZINC000081990090 192350658 /nfs/dbraw/zinc/35/06/58/192350658.db2.gz ZBUSEXNMJPJDLQ-MRXNPFEDSA-N 1 0 311.447 2.239 10 0 DEAERO CCCc1ccc([C@@H]([NH3+])CS(=O)(=O)C2CCOCC2)cc1 ZINC000081989951 192350873 /nfs/dbraw/zinc/35/08/73/192350873.db2.gz RYDSCAWQFOHGCP-INIZCTEOSA-N 1 0 311.447 2.233 10 0 DEAERO CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000081989826 192350945 /nfs/dbraw/zinc/35/09/45/192350945.db2.gz WANRGNCJJDLSAD-HOTGVXAUSA-N 1 0 311.447 2.320 10 0 DEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000090272242 185288584 /nfs/dbraw/zinc/28/85/84/185288584.db2.gz XPFVIMKNHIQLEW-CJNGLKHVSA-N 1 0 315.841 2.466 10 0 DEAERO CC(C)C[C@@](C)(O)C[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000090272375 185288731 /nfs/dbraw/zinc/28/87/31/185288731.db2.gz WNRBTYHTOMGJFS-OAHLLOKOSA-N 1 0 300.349 2.290 10 0 DEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000090272394 185288767 /nfs/dbraw/zinc/28/87/67/185288767.db2.gz QMWSMAIDRATXLO-HIFRSBDPSA-N 1 0 301.452 2.012 10 0 DEAERO COc1ccc([C@@H](C)CC[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000166065606 197687516 /nfs/dbraw/zinc/68/75/16/197687516.db2.gz ILARFXHTRWIGHO-ZDUSSCGKSA-N 1 0 305.422 2.322 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)CO)c1cc2cc(Br)ccc2o1 ZINC000090282336 185289459 /nfs/dbraw/zinc/28/94/59/185289459.db2.gz VQJDSDMXTQQEBU-LDYMZIIASA-N 1 0 314.179 2.199 10 0 DEAERO CN(CCC(=O)Nc1cc(Cl)ccc1Cl)C1C[NH2+]C1 ZINC000090290489 185289500 /nfs/dbraw/zinc/28/95/00/185289500.db2.gz NHNQQWIFGAXXTD-UHFFFAOYSA-N 1 0 302.205 2.226 10 0 DEAERO CCCN(C(=O)c1cc(F)ccc1Br)C1C[NH2+]C1 ZINC000090292929 185289602 /nfs/dbraw/zinc/28/96/02/185289602.db2.gz WBALBVXBBOQOKB-UHFFFAOYSA-N 1 0 315.186 2.412 10 0 DEAERO CCn1nc(C)c(Cl)c1Cn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000090298377 185290054 /nfs/dbraw/zinc/29/00/54/185290054.db2.gz AOLHYTNWPVJLNV-UHFFFAOYSA-N 1 0 310.833 2.393 10 0 DEAERO C[C@@H](c1ccc(Br)cc1)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308269 185290124 /nfs/dbraw/zinc/29/01/24/185290124.db2.gz TVZAHITVAOEUAB-LBPRGKRZSA-N 1 0 324.266 2.100 10 0 DEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)Cc1ccc(Br)cc1 ZINC000090325376 185291132 /nfs/dbraw/zinc/29/11/32/185291132.db2.gz ADWPVMYHOXJDOO-MPKXVKKWSA-N 1 0 323.234 2.058 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1Cc1cn2cc(Cl)ccc2n1 ZINC000090337654 185291794 /nfs/dbraw/zinc/29/17/94/185291794.db2.gz HVXQVGLXFQKRIY-SMDDNHRTSA-N 1 0 304.825 2.418 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000090423980 185295652 /nfs/dbraw/zinc/29/56/52/185295652.db2.gz HZJRSJYYHBBCTP-ZYHUDNBSSA-N 1 0 311.744 2.155 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccccc1SC(F)F ZINC000090431543 185295765 /nfs/dbraw/zinc/29/57/65/185295765.db2.gz WDXFWDIPHDYRFZ-SCZZXKLOSA-N 1 0 302.346 2.174 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000090433441 185296198 /nfs/dbraw/zinc/29/61/98/185296198.db2.gz OELSYOSZDXZJAE-QWRGUYRKSA-N 1 0 320.336 2.471 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090590620 185305430 /nfs/dbraw/zinc/30/54/30/185305430.db2.gz KLXXUPLFZAKYQO-ZWNOBZJWSA-N 1 0 302.827 2.114 10 0 DEAERO C[C@]1(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)COC[C@H]1[NH3+] ZINC000090593669 185305671 /nfs/dbraw/zinc/30/56/71/185305671.db2.gz XRWYMQVRRYHTGV-FMKPAKJESA-N 1 0 308.809 2.367 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000090539323 185301633 /nfs/dbraw/zinc/30/16/33/185301633.db2.gz JNULIIWOIDKVNH-PWSUYJOCSA-N 1 0 305.403 2.249 10 0 DEAERO CN(Cc1ccccc1Br)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606707 185306547 /nfs/dbraw/zinc/30/65/47/185306547.db2.gz CDLIXUITABDVTM-KBPBESRZSA-N 1 0 313.239 2.245 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090580361 185304808 /nfs/dbraw/zinc/30/48/08/185304808.db2.gz SUWDLYOSKDVZDN-YPMHNXCESA-N 1 0 313.195 2.060 10 0 DEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)Cc1ccc(F)cc1 ZINC000090699960 185310490 /nfs/dbraw/zinc/31/04/90/185310490.db2.gz UGGAVUKENTUHHV-OAHLLOKOSA-N 1 0 310.438 2.264 10 0 DEAERO Cc1ccc(OCC(=O)N2CCCSC[C@H]2C[NH+](C)C)cc1 ZINC000090699945 185310620 /nfs/dbraw/zinc/31/06/20/185310620.db2.gz WHDMOZPBXSEQKF-OAHLLOKOSA-N 1 0 322.474 2.270 10 0 DEAERO Cc1cc(NS(=O)(=O)c2cc(C(N)=S)ccc2C)cc[nH+]1 ZINC000092350174 185313642 /nfs/dbraw/zinc/31/36/42/185313642.db2.gz GASYEZJKAMQIHM-UHFFFAOYSA-N 1 0 321.427 2.133 10 0 DEAERO CC(C)[C@H](CO)[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000092393774 185315575 /nfs/dbraw/zinc/31/55/75/185315575.db2.gz DZBPJOLCQFUJIH-RDBSUJKOSA-N 1 0 300.443 2.286 10 0 DEAERO CC[C@@H]1CN(c2ccccc2)CCN1C(=O)C[NH+](CC)CC ZINC000184270567 282250787 /nfs/dbraw/zinc/25/07/87/282250787.db2.gz BBWGRJACSKAIIW-MRXNPFEDSA-N 1 0 303.450 2.456 10 0 DEAERO CC1(C)C(CNS(=O)(=O)Cc2ccccc2C[NH3+])C1(C)C ZINC000092817191 185343732 /nfs/dbraw/zinc/34/37/32/185343732.db2.gz JARVQCQUHZFQCP-UHFFFAOYSA-N 1 0 310.463 2.247 10 0 DEAERO CCC[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)C(C)C ZINC000092859275 185346945 /nfs/dbraw/zinc/34/69/45/185346945.db2.gz WKLOPLVLCSVFEL-CVEARBPZSA-N 1 0 311.447 2.484 10 0 DEAERO c1nc(CN2CCC([NH+]3CCCC3)CC2)nn1-c1ccccc1 ZINC000092794290 185341856 /nfs/dbraw/zinc/34/18/56/185341856.db2.gz NWZQCWYZUATYBS-UHFFFAOYSA-N 1 0 311.433 2.328 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000168314707 197720257 /nfs/dbraw/zinc/72/02/57/197720257.db2.gz SFLOZBINPOXPTJ-INIZCTEOSA-N 1 0 312.417 2.473 10 0 DEAERO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(Br)ccc1F ZINC000092956113 185350322 /nfs/dbraw/zinc/35/03/22/185350322.db2.gz LZPQFLVOBCXGRY-LDYMZIIASA-N 1 0 315.186 2.202 10 0 DEAERO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000181495005 199306313 /nfs/dbraw/zinc/30/63/13/199306313.db2.gz PFGULCOGDLCTDE-QWHCGFSZSA-N 1 0 314.385 2.168 10 0 DEAERO CC[NH2+][C@@H](Cc1ccn(C(CC)CC)n1)[C@H](C)S(C)(=O)=O ZINC000168913591 197730321 /nfs/dbraw/zinc/73/03/21/197730321.db2.gz UOJAZSFGZXGFOE-WFASDCNBSA-N 1 0 315.483 2.198 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nnc(-c4ccccn4)s3)C[C@H]21 ZINC000333574739 282960450 /nfs/dbraw/zinc/96/04/50/282960450.db2.gz SMGXPAVLTFKGSS-IJLUTSLNSA-N 1 0 301.419 2.164 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2)C12CCC2 ZINC000181615504 199327535 /nfs/dbraw/zinc/32/75/35/199327535.db2.gz IJOCCUDGWNGOLX-HOTGVXAUSA-N 1 0 302.418 2.354 10 0 DEAERO COCc1csc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)n1 ZINC000181614839 199327787 /nfs/dbraw/zinc/32/77/87/199327787.db2.gz KMCFDSBSXLUNLW-GFCCVEGCSA-N 1 0 312.439 2.093 10 0 DEAERO CN(C)C(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000097093434 185408470 /nfs/dbraw/zinc/40/84/70/185408470.db2.gz WLCSHODYDWZFSO-GXSJLCMTSA-N 1 0 309.797 2.108 10 0 DEAERO O=C1CC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)N1 ZINC000079928424 539375423 /nfs/dbraw/zinc/37/54/23/539375423.db2.gz DRRYAGCCNYASPV-WCQYABFASA-N 1 0 309.207 2.305 10 0 DEAERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2ncc[nH]2)CC1 ZINC000190351293 282318731 /nfs/dbraw/zinc/31/87/31/282318731.db2.gz QMKOWSUPZDNKLP-UHFFFAOYSA-N 1 0 322.453 2.038 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+]CCc2ccccn2)c2ccccc21 ZINC000037201207 190664789 /nfs/dbraw/zinc/66/47/89/190664789.db2.gz RHRIFOWVZFHHTL-HNNXBMFYSA-N 1 0 302.399 2.132 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCc1nc2ccccc2[nH]1 ZINC000046277925 190675025 /nfs/dbraw/zinc/67/50/25/190675025.db2.gz FRKVEWLMDKSBHO-ZDUSSCGKSA-N 1 0 317.437 2.135 10 0 DEAERO Cn1ccc(C[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 ZINC000328637731 530010022 /nfs/dbraw/zinc/01/00/22/530010022.db2.gz OTHQCTVAZRBDTC-FUHWJXTLSA-N 1 0 315.465 2.274 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000193418260 282350532 /nfs/dbraw/zinc/35/05/32/282350532.db2.gz GYVSXKWSHICDNW-SWLSCSKDSA-N 1 0 310.463 2.260 10 0 DEAERO CNC(=O)c1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000089454867 539410878 /nfs/dbraw/zinc/41/08/78/539410878.db2.gz BBLXSBOCBIRQQY-KOLCDFICSA-N 1 0 309.797 2.013 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC1 ZINC000089719608 539412724 /nfs/dbraw/zinc/41/27/24/539412724.db2.gz ANJPVKAAZDPEEF-LBPRGKRZSA-N 1 0 309.435 2.161 10 0 DEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090799465 539418105 /nfs/dbraw/zinc/41/81/05/539418105.db2.gz HGFDNBQMZYNEJO-LVQVYYBASA-N 1 0 316.511 2.461 10 0 DEAERO C[N@@H+](CC1=CCCOC1)C[C@H](c1cccs1)N1CCOCC1 ZINC000121741110 282385701 /nfs/dbraw/zinc/38/57/01/282385701.db2.gz JOBUHTFEIWZCSZ-MRXNPFEDSA-N 1 0 322.474 2.400 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cccc(F)c1 ZINC000245432315 282387856 /nfs/dbraw/zinc/38/78/56/282387856.db2.gz ONZCSIHTTXLEHG-CVEARBPZSA-N 1 0 305.397 2.323 10 0 DEAERO CC(C)[C@H]1CCc2ccccc2N1C[C@@H](O)CN1CCOCC1 ZINC000245600187 282399922 /nfs/dbraw/zinc/39/99/22/282399922.db2.gz FHXWCHUVXOYQTA-ZWKOTPCHSA-N 1 0 318.461 2.157 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245587956 282399283 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Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235722554 201920352 /nfs/dbraw/zinc/92/03/52/201920352.db2.gz VLWIWNAXPPFCQS-ONGXEEELSA-N 1 0 302.827 2.067 10 0 DEAERO C[C@H]([NH2+]CCn1ccnc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279679753 215055576 /nfs/dbraw/zinc/05/55/76/215055576.db2.gz GXSDHHHSSJHDDB-UONOGXRCSA-N 1 0 308.426 2.118 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000194733146 290810185 /nfs/dbraw/zinc/81/01/85/290810185.db2.gz XWORIDKGLKDIKV-BRWVUGGUSA-N 1 0 302.418 2.365 10 0 DEAERO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000249443892 282560842 /nfs/dbraw/zinc/56/08/42/282560842.db2.gz FQVBFUCESMKIIV-HZPDHXFCSA-N 1 0 314.433 2.244 10 0 DEAERO [NH3+]C1(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)Cc2ccccc2C1 ZINC000157778374 539574156 /nfs/dbraw/zinc/57/41/56/539574156.db2.gz NVDGDQHVOWOKKO-ROUUACIJSA-N 1 0 306.409 2.403 10 0 DEAERO C[C@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)C[C@H](c2ccc(F)cc2)O1 ZINC000333825441 282973405 /nfs/dbraw/zinc/97/34/05/282973405.db2.gz LNTVDFULSDSPLZ-VBNZEHGJSA-N 1 0 321.396 2.049 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cccc2ccccc21 ZINC000123950229 185859888 /nfs/dbraw/zinc/85/98/88/185859888.db2.gz UCGOZVMMBHQNHG-AWEZNQCLSA-N 1 0 304.415 2.212 10 0 DEAERO C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279751237 215114289 /nfs/dbraw/zinc/11/42/89/215114289.db2.gz QCJNJWDBTZNRAW-CHWSQXEVSA-N 1 0 308.426 2.155 10 0 DEAERO CC[N@@H+]1CCCN(Cc2nnc(-c3cc(C)oc3C)o2)CC1 ZINC000161890795 539593904 /nfs/dbraw/zinc/59/39/04/539593904.db2.gz RBKSTYGDYAAVCH-UHFFFAOYSA-N 1 0 304.394 2.474 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC[C@@H]1C ZINC000251866356 282591161 /nfs/dbraw/zinc/59/11/61/282591161.db2.gz ORRKMDQLJUBJOQ-HRCADAONSA-N 1 0 311.470 2.175 10 0 DEAERO C[C@@H]1CCC[C@H](C[NH3+])N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000070153743 190863238 /nfs/dbraw/zinc/86/32/38/190863238.db2.gz WWSRKUYABMJNHZ-ZYHUDNBSSA-N 1 0 302.827 2.230 10 0 DEAERO CC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(Br)s1 ZINC000070285250 190877988 /nfs/dbraw/zinc/87/79/88/190877988.db2.gz NBNTYVYFXUANMV-SKDRFNHKSA-N 1 0 319.268 2.492 10 0 DEAERO CCC[NH2+]C[C@@](C)(C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000126950128 185907097 /nfs/dbraw/zinc/90/70/97/185907097.db2.gz DZBSCLSYGDDPID-GOEBONIOSA-N 1 0 316.511 2.464 10 0 DEAERO [NH3+]CCN1c2ccccc2CC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000616669826 362907229 /nfs/dbraw/zinc/90/72/29/362907229.db2.gz RUKVZKUWFXBQCA-KRWDZBQOSA-N 1 0 316.426 2.198 10 0 DEAERO CC(C)(C)OC(=O)NCCN1c2ccccc2CC[C@H]1C[NH3+] ZINC000616670209 362907414 /nfs/dbraw/zinc/90/74/14/362907414.db2.gz MDNDXJQWIIUEBW-AWEZNQCLSA-N 1 0 305.422 2.291 10 0 DEAERO [NH3+]CC[C@H]1CNc2ccccc2N1S(=O)(=O)c1ccccc1 ZINC000616684587 362908408 /nfs/dbraw/zinc/90/84/08/362908408.db2.gz MRQYODHVCQVXET-ZDUSSCGKSA-N 1 0 317.414 2.025 10 0 DEAERO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cncnc2)CC1 ZINC000179766591 539642034 /nfs/dbraw/zinc/64/20/34/539642034.db2.gz UJHCFKMFQQLQRQ-UHFFFAOYSA-N 1 0 312.373 2.033 10 0 DEAERO C[C@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1cccc(Cl)c1 ZINC000181412865 539652149 /nfs/dbraw/zinc/65/21/49/539652149.db2.gz BQAXXWAPZOCFPO-LBPRGKRZSA-N 1 0 320.824 2.383 10 0 DEAERO COCCOCC[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000070482030 190901009 /nfs/dbraw/zinc/90/10/09/190901009.db2.gz NVGVIDQACXQJQM-CYBMUJFWSA-N 1 0 302.212 2.372 10 0 DEAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000182901304 539658754 /nfs/dbraw/zinc/65/87/54/539658754.db2.gz VELFKFMSKWIDQI-LRDDRELGSA-N 1 0 302.349 2.476 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)[C@H]1CCCO1 ZINC000183098515 539659220 /nfs/dbraw/zinc/65/92/20/539659220.db2.gz BEMZAKXPUTXDQM-DGCLKSJQSA-N 1 0 319.430 2.416 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000183085974 539659803 /nfs/dbraw/zinc/65/98/03/539659803.db2.gz BZRYMLYOFFBXPX-DOMZBBRYSA-N 1 0 310.825 2.156 10 0 DEAERO c1cc2cnccc2c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000183358511 539662092 /nfs/dbraw/zinc/66/20/92/539662092.db2.gz JUVPMVBAEYNTRZ-INIZCTEOSA-N 1 0 311.429 2.389 10 0 DEAERO C[NH2+]C[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000071148394 190936733 /nfs/dbraw/zinc/93/67/33/190936733.db2.gz IBCCYARLUZIRGK-JTQLQIEISA-N 1 0 322.352 2.026 10 0 DEAERO CC[NH2+][C@@H]1CCCN(c2cc(Cl)c(OC)cc2OC)C1=O ZINC000071037863 190930641 /nfs/dbraw/zinc/93/06/41/190930641.db2.gz KDKVFRTWLVVSMK-LLVKDONJSA-N 1 0 312.797 2.462 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccccc1I ZINC000083604107 192375419 /nfs/dbraw/zinc/37/54/19/192375419.db2.gz UYZDMUSQSMZNHR-QMMMGPOBSA-N 1 0 318.158 2.215 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]c4ccc(F)cc34)C[C@@H]12 ZINC000186944482 539677221 /nfs/dbraw/zinc/67/72/21/539677221.db2.gz PTGSVFLCGBSUPJ-COLVAYQJSA-N 1 0 301.365 2.045 10 0 DEAERO C[NH+](C)C1CCN(C(=O)Nc2ccc(OC3COC3)cc2)CC1 ZINC000187194667 539678559 /nfs/dbraw/zinc/67/85/59/539678559.db2.gz WKTGBIWQYRUFSL-UHFFFAOYSA-N 1 0 319.405 2.022 10 0 DEAERO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(Cl)c1C ZINC000071312817 190955461 /nfs/dbraw/zinc/95/54/61/190955461.db2.gz GWZBMZCDZPJGKI-NSHDSACASA-N 1 0 302.827 2.021 10 0 DEAERO CC[NH2+][C@H]1CCN(S(=O)(=O)N(C)C(C)C)c2ccccc21 ZINC000071325083 190958137 /nfs/dbraw/zinc/95/81/37/190958137.db2.gz JNCHOMFWKHXVBC-AWEZNQCLSA-N 1 0 311.451 2.132 10 0 DEAERO CC[C@H]1CN(Cc2cccc(OC)c2F)CC[N@@H+]1CCOC ZINC000192950883 539710231 /nfs/dbraw/zinc/71/02/31/539710231.db2.gz JYBIBWIJUYIOQR-HNNXBMFYSA-N 1 0 310.413 2.377 10 0 DEAERO Cc1c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)ccn1C ZINC000195291939 539721193 /nfs/dbraw/zinc/72/11/93/539721193.db2.gz PFNBCXPUASTVRP-UHFFFAOYSA-N 1 0 319.449 2.051 10 0 DEAERO C[NH2+][C@H](C[S@@](=O)CCOC)c1cccc(C(F)(F)F)c1 ZINC000084035322 192396676 /nfs/dbraw/zinc/39/66/76/192396676.db2.gz XKZWKIMUXBNGGO-MPBGBICISA-N 1 0 309.353 2.361 10 0 DEAERO CC(C)(CNC(=O)C1C[NH2+]C1)c1ccc(Br)cc1 ZINC000258604468 535096552 /nfs/dbraw/zinc/09/65/52/535096552.db2.gz AHSKVMRGESESIF-UHFFFAOYSA-N 1 0 311.223 2.062 10 0 DEAERO CCCCc1nc(CN2CC[N@H+](CCOCC)[C@@H](CC)C2)no1 ZINC000247744373 535100153 /nfs/dbraw/zinc/10/01/53/535100153.db2.gz OENSYNKVBHZZIP-HNNXBMFYSA-N 1 0 324.469 2.345 10 0 DEAERO [NH3+]CCCCCc1nc(CC(=O)Nc2cccnc2)cs1 ZINC000071693919 191008829 /nfs/dbraw/zinc/00/88/29/191008829.db2.gz RBQQCHQJLFLZJE-UHFFFAOYSA-N 1 0 304.419 2.391 10 0 DEAERO COCCn1c(C[NH3+])nnc1-c1cc(Cl)ccc1Cl ZINC000133776130 186011504 /nfs/dbraw/zinc/01/15/04/186011504.db2.gz OSEVLACDSDVJIL-UHFFFAOYSA-N 1 0 301.177 2.357 10 0 DEAERO CCCCN(C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138304459 186015781 /nfs/dbraw/zinc/01/57/81/186015781.db2.gz MHUPZABNHXGQFN-UHFFFAOYSA-N 1 0 306.378 2.105 10 0 DEAERO CC(C)[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)C2CC2)c1 ZINC000138439174 186016828 /nfs/dbraw/zinc/01/68/28/186016828.db2.gz AIYBCEKIYXHICV-UHFFFAOYSA-N 1 0 318.389 2.246 10 0 DEAERO CCCN(C)S(=O)(=O)c1cc(C[NH2+]CC)cc(F)c1F ZINC000138454728 186017316 /nfs/dbraw/zinc/01/73/16/186017316.db2.gz PYQDASCHBVYYMF-UHFFFAOYSA-N 1 0 306.378 2.105 10 0 DEAERO CCC(CC)N(C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138525425 186017994 /nfs/dbraw/zinc/01/79/94/186017994.db2.gz KDUQJSCWNCPCQD-UHFFFAOYSA-N 1 0 320.405 2.493 10 0 DEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000246345736 539763507 /nfs/dbraw/zinc/76/35/07/539763507.db2.gz HGFDNBQMZYNEJO-WCVJEAGWSA-N 1 0 316.511 2.461 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1c1nc(-c2ccc(Br)cn2)no1 ZINC000139843188 186024852 /nfs/dbraw/zinc/02/48/52/186024852.db2.gz POHTYZXAMMEPFX-BDAKNGLRSA-N 1 0 309.167 2.489 10 0 DEAERO CCNc1ccccc1S(=O)(=O)N[C@@H](CC)c1ncc[nH]1 ZINC000141690779 186030470 /nfs/dbraw/zinc/03/04/70/186030470.db2.gz WASMZUNYECPSQF-NSHDSACASA-N 1 0 308.407 2.271 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)CC1(C[NH3+])CCC1 ZINC000147919162 186042564 /nfs/dbraw/zinc/04/25/64/186042564.db2.gz YPQQBWAEWVRQPG-UHFFFAOYSA-N 1 0 310.360 2.323 10 0 DEAERO CC(C)C[C@@H]1N[C@@H](c2cccs2)N([C@@H]2CC[N@H+](C)C2)C1=O ZINC000145172918 186036832 /nfs/dbraw/zinc/03/68/32/186036832.db2.gz SLWWYRQMKSKNKV-VNHYZAJKSA-N 1 0 307.463 2.297 10 0 DEAERO CC[C@@H]1N[C@@H](c2cccs2)N([C@@H](C)C[NH+]2CCCC2)C1=O ZINC000145831997 186037624 /nfs/dbraw/zinc/03/76/24/186037624.db2.gz JVPVZVQXGSPPST-KCQAQPDRSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@H](C[NH+]1CCCC1)N1C(=O)C2(CC2)N[C@H]1c1ccsc1 ZINC000145809260 186038020 /nfs/dbraw/zinc/03/80/20/186038020.db2.gz BHZZVKOXTQAGCT-TZMCWYRMSA-N 1 0 305.447 2.195 10 0 DEAERO [NH3+][C@H](Cc1cn2ccsc2n1)[C@H]1COc2ccccc2O1 ZINC000149185982 186048605 /nfs/dbraw/zinc/04/86/05/186048605.db2.gz ZNYSWBQISIMJOM-BXUZGUMPSA-N 1 0 301.371 2.106 10 0 DEAERO C[C@H](CS(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000149373079 186049466 /nfs/dbraw/zinc/04/94/66/186049466.db2.gz IFEULLDRHICFHR-KGLIPLIRSA-N 1 0 310.463 2.098 10 0 DEAERO CN(CC[C@H]1CCCC[NH2+]1)S(=O)(=O)CCc1ccccc1 ZINC000149372134 186049663 /nfs/dbraw/zinc/04/96/63/186049663.db2.gz CMCMIVICPVQXTG-MRXNPFEDSA-N 1 0 310.463 2.023 10 0 DEAERO C[C@H](CS(=O)(=O)NC[C@H]1[NH2+]CCC[C@@H]1C)c1ccccc1 ZINC000149380543 186049722 /nfs/dbraw/zinc/04/97/22/186049722.db2.gz ZFVWQQPTOJAXKE-SQWLQELKSA-N 1 0 310.463 2.098 10 0 DEAERO C[C@H](CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000149512906 186050983 /nfs/dbraw/zinc/05/09/83/186050983.db2.gz QCJPQZVZQLRVIH-FVQBIDKESA-N 1 0 310.463 2.227 10 0 DEAERO CCN(C[C@@H](C)C(N)=[NH2+])S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000149607491 186051758 /nfs/dbraw/zinc/05/17/58/186051758.db2.gz HPBLRVPWUQTODT-CHWSQXEVSA-N 1 0 311.451 2.014 10 0 DEAERO CCC(CC)(NS(=O)(=O)C[C@H](C)c1ccccc1)C(N)=[NH2+] ZINC000149608587 186052109 /nfs/dbraw/zinc/05/21/09/186052109.db2.gz YXIWAOAXFLBPQL-LBPRGKRZSA-N 1 0 311.451 2.204 10 0 DEAERO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000248663204 539775079 /nfs/dbraw/zinc/77/50/79/539775079.db2.gz ZEDACRGCPADAHS-RCCFBDPRSA-N 1 0 303.450 2.139 10 0 DEAERO CC[NH2+][C@@H](c1cnc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000150100205 186054413 /nfs/dbraw/zinc/05/44/13/186054413.db2.gz JNBCBNDLQRAHTI-CZUORRHYSA-N 1 0 304.415 2.320 10 0 DEAERO O[C@H](C[NH2+][C@H]1CCCC[C@H]1O)COCc1ccc(Cl)cc1 ZINC000250005866 539782607 /nfs/dbraw/zinc/78/26/07/539782607.db2.gz SSNWBHNDXBTWSP-OWCLPIDISA-N 1 0 313.825 2.111 10 0 DEAERO CN(Cc1ccsc1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000253269638 539785036 /nfs/dbraw/zinc/78/50/36/539785036.db2.gz ZSIHJDINZZTBLY-XJKCOSOUSA-N 1 0 308.447 2.239 10 0 DEAERO CC(C)NC(=O)CN1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000182028649 199376228 /nfs/dbraw/zinc/37/62/28/199376228.db2.gz OQEJFSGAMDNLJB-QGZVFWFLSA-N 1 0 317.477 2.007 10 0 DEAERO CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2s1 ZINC000155659960 186100773 /nfs/dbraw/zinc/10/07/73/186100773.db2.gz HVXFZFWBLBVGQK-PWSUYJOCSA-N 1 0 319.430 2.255 10 0 DEAERO COc1cccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1O ZINC000155669194 186100909 /nfs/dbraw/zinc/10/09/09/186100909.db2.gz YIIISOISNALLIN-ZDUSSCGKSA-N 1 0 306.406 2.109 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@H]2OC(=O)c3ccccc32)C1 ZINC000155669197 186101354 /nfs/dbraw/zinc/10/13/54/186101354.db2.gz CWYASCOKOGBMJA-UHOFOFEASA-N 1 0 316.401 2.133 10 0 DEAERO C[NH2+]Cc1ccc(Sc2nnnn2C)c(C(F)(F)F)c1 ZINC000163969530 186144216 /nfs/dbraw/zinc/14/42/16/186144216.db2.gz FYMZPDMYTAQJEO-UHFFFAOYSA-N 1 0 303.313 2.100 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(C)ccc2Br)C1 ZINC000163970683 186144289 /nfs/dbraw/zinc/14/42/89/186144289.db2.gz KRJXDMHAABPPSA-BXKDBHETSA-N 1 0 313.195 2.073 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)Nc1cc(C)ccc1Br ZINC000163985680 186144633 /nfs/dbraw/zinc/14/46/33/186144633.db2.gz QUPCCXAPNSOBNI-SNVBAGLBSA-N 1 0 301.184 2.060 10 0 DEAERO CN(CC[NH3+])c1ncc(Br)cc1Br ZINC000164026485 186146660 /nfs/dbraw/zinc/14/66/60/186146660.db2.gz PWZBPSDGROQBIV-UHFFFAOYSA-N 1 0 309.005 2.002 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@H]1CCC[NH2+]C1 ZINC000164065587 186147527 /nfs/dbraw/zinc/14/75/27/186147527.db2.gz DONZHQLCVRLESV-VIFPVBQESA-N 1 0 300.200 2.238 10 0 DEAERO [NH3+]C[C@@H]1CCCN(C(=O)c2cccc(F)c2Br)C1 ZINC000155978551 186124774 /nfs/dbraw/zinc/12/47/74/186124774.db2.gz WABOVHLRPGWATA-VIFPVBQESA-N 1 0 315.186 2.399 10 0 DEAERO [NH3+]C[C@H]1CCCN(C(=O)c2cccc(F)c2Br)C1 ZINC000155978457 186124881 /nfs/dbraw/zinc/12/48/81/186124881.db2.gz WABOVHLRPGWATA-SECBINFHSA-N 1 0 315.186 2.399 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1ccc(Br)cc1 ZINC000159569917 186127840 /nfs/dbraw/zinc/12/78/40/186127840.db2.gz WCSMOBVQXGMJBL-LLVKDONJSA-N 1 0 301.184 2.142 10 0 DEAERO CSc1cc2c(cc1C[NH2+]C[C@@H](C)[S@](C)=O)OCCO2 ZINC000159651278 186133059 /nfs/dbraw/zinc/13/30/59/186133059.db2.gz QNRHMCURVQSFLG-CFMSYZGJSA-N 1 0 315.460 2.036 10 0 DEAERO C[C@H](C(=O)Nc1cccc(Cl)c1-n1ccnc1)C1C[NH2+]C1 ZINC000163932166 186142596 /nfs/dbraw/zinc/14/25/96/186142596.db2.gz MUSRGWMEVZUZKA-JTQLQIEISA-N 1 0 304.781 2.320 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cccc3)c(F)c2)C1 ZINC000171508373 186170530 /nfs/dbraw/zinc/17/05/30/186170530.db2.gz FLTSYFQPDPSPDQ-CQSZACIVSA-N 1 0 301.365 2.393 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(CCO)CCOC ZINC000164208233 186151779 /nfs/dbraw/zinc/15/17/79/186151779.db2.gz OYHWDFADXLVBNN-GJZGRUSLSA-N 1 0 300.830 2.059 10 0 DEAERO CCOC(=O)[C@@H](C(=O)NCCC[NH+](CC)CC)C(C)(C)C ZINC000164219947 186152911 /nfs/dbraw/zinc/15/29/11/186152911.db2.gz LEAIJJGJWVFATD-CYBMUJFWSA-N 1 0 300.443 2.060 10 0 DEAERO CCC[C@@]1(C(=O)c2c(Br)cnn2C)CC[NH2+]C1 ZINC000164262022 186153695 /nfs/dbraw/zinc/15/36/95/186153695.db2.gz GPQMIWPSAQSEKC-GFCCVEGCSA-N 1 0 300.200 2.145 10 0 DEAERO CC(C(=O)N(C)Cc1cccc(Br)c1)=C1C[NH2+]C1 ZINC000164316024 186155990 /nfs/dbraw/zinc/15/59/90/186155990.db2.gz RPWXGDARBONQOZ-UHFFFAOYSA-N 1 0 309.207 2.327 10 0 DEAERO Cn1c(C[NH2+]C2CCCC2)nc2cc(S(C)(=O)=O)ccc21 ZINC000164377151 186158269 /nfs/dbraw/zinc/15/82/69/186158269.db2.gz OGCHYUQYXQIDDN-UHFFFAOYSA-N 1 0 307.419 2.009 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000164412373 186158841 /nfs/dbraw/zinc/15/88/41/186158841.db2.gz IENKHMGIOKLDTL-DTWKUNHWSA-N 1 0 300.200 2.223 10 0 DEAERO COC[C@@H](C)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000171453341 186162155 /nfs/dbraw/zinc/16/21/55/186162155.db2.gz OVKMSCHUSNLSME-CQSZACIVSA-N 1 0 305.422 2.050 10 0 DEAERO O=C(Cc1ccccc1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171471155 186165417 /nfs/dbraw/zinc/16/54/17/186165417.db2.gz VWCMQUNCHPTCIU-ZDUSSCGKSA-N 1 0 323.234 2.298 10 0 DEAERO CC[C@@H](C)C[N@H+](CC)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000177848762 186192656 /nfs/dbraw/zinc/19/26/56/186192656.db2.gz QSBFUQQTCLPDDI-KGLIPLIRSA-N 1 0 318.417 2.012 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2nnc(C(F)F)s2)CC[N@@H+]1C ZINC000175647411 186184919 /nfs/dbraw/zinc/18/49/19/186184919.db2.gz ZPLMLOVFXCYJGJ-YUMQZZPRSA-N 1 0 319.381 2.422 10 0 DEAERO Cc1ccc(CNC(=O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)cc1F ZINC000188012175 186243294 /nfs/dbraw/zinc/24/32/94/186243294.db2.gz NHHANRDWSKQPMP-SCLBCKFNSA-N 1 0 322.424 2.233 10 0 DEAERO COC(=O)c1coc(C(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000183837138 186222892 /nfs/dbraw/zinc/22/28/92/186222892.db2.gz GVDCKPJZZVDPGR-UHFFFAOYSA-N 1 0 310.394 2.305 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000187986196 186239690 /nfs/dbraw/zinc/23/96/90/186239690.db2.gz RITRSWGOAJJBJM-PXAZEXFGSA-N 1 0 323.412 2.219 10 0 DEAERO NC(=O)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000253395238 186304038 /nfs/dbraw/zinc/30/40/38/186304038.db2.gz QKFQLWXDXNKEAE-DLBZAZTESA-N 1 0 314.360 2.233 10 0 DEAERO Cn1nccc1CC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000253396858 186305588 /nfs/dbraw/zinc/30/55/88/186305588.db2.gz QNDOALFOJLQTDL-CZUORRHYSA-N 1 0 307.344 2.049 10 0 DEAERO Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1N(C)C ZINC000171889145 198001861 /nfs/dbraw/zinc/00/18/61/198001861.db2.gz WBBQITHNCKJMAE-HNNXBMFYSA-N 1 0 302.422 2.373 10 0 DEAERO CC(=O)Nc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1C ZINC000171889938 198002266 /nfs/dbraw/zinc/00/22/66/198002266.db2.gz WKKKVHOKLJMIKB-OAHLLOKOSA-N 1 0 316.405 2.265 10 0 DEAERO O=C(Nc1ccc(-c2ncon2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171892886 198002915 /nfs/dbraw/zinc/00/29/15/198002915.db2.gz VXHBNTGGFUMUTC-CQSZACIVSA-N 1 0 313.361 2.049 10 0 DEAERO CC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1nc(C)cs1 ZINC000171907510 198006046 /nfs/dbraw/zinc/00/60/46/198006046.db2.gz WFJJNDOUPUTPRQ-CHWSQXEVSA-N 1 0 308.451 2.392 10 0 DEAERO CCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000171981698 198020507 /nfs/dbraw/zinc/02/05/07/198020507.db2.gz MIEAJTRCIQOADT-VIFPVBQESA-N 1 0 308.806 2.069 10 0 DEAERO Cc1ccc(NC(=O)N[C@H]2CCCOC2)c(OCC[NH+](C)C)c1 ZINC000172502054 198107112 /nfs/dbraw/zinc/10/71/12/198107112.db2.gz PTRZUUKHJNDAMD-AWEZNQCLSA-N 1 0 321.421 2.236 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)CC[N@@H+]1C ZINC000172620616 198126635 /nfs/dbraw/zinc/12/66/35/198126635.db2.gz MJJDQNWHASYQOS-PBHICJAKSA-N 1 0 312.417 2.427 10 0 DEAERO Cc1nccn1CC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309756377 539879081 /nfs/dbraw/zinc/87/90/81/539879081.db2.gz XBFJUUZAHDKOBE-OAHLLOKOSA-N 1 0 322.453 2.428 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(Cl)cn2)CC[N@@H+]1C ZINC000172848008 198157819 /nfs/dbraw/zinc/15/78/19/198157819.db2.gz PUNYMNPMIBODAL-YPMHNXCESA-N 1 0 310.829 2.088 10 0 DEAERO CCOc1cccnc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000329700891 539927380 /nfs/dbraw/zinc/92/73/80/539927380.db2.gz HDJHFXGHHJPEMT-YPMHNXCESA-N 1 0 316.361 2.066 10 0 DEAERO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1C(N)=O ZINC000173081203 198183830 /nfs/dbraw/zinc/18/38/30/198183830.db2.gz XEXVHGQLWOIKRL-OCCSQVGLSA-N 1 0 318.421 2.040 10 0 DEAERO CCn1nc(C)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1Cl ZINC000173216802 198196888 /nfs/dbraw/zinc/19/68/88/198196888.db2.gz CESPHMKLKXSGNY-ZYHUDNBSSA-N 1 0 312.845 2.420 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc(C)c2)[C@H](C)C1 ZINC000173260909 198202304 /nfs/dbraw/zinc/20/23/04/198202304.db2.gz WZGUDSYOWCOXNL-WBVHZDCISA-N 1 0 324.490 2.487 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc(C)c2)[C@H](C)C1 ZINC000173260928 198202905 /nfs/dbraw/zinc/20/29/05/198202905.db2.gz WZGUDSYOWCOXNL-NVXWUHKLSA-N 1 0 324.490 2.487 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173279344 198205605 /nfs/dbraw/zinc/20/56/05/198205605.db2.gz CGHKPJWRYYZDSK-OCCSQVGLSA-N 1 0 314.426 2.237 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333326089 539956194 /nfs/dbraw/zinc/95/61/94/539956194.db2.gz VINFAYXABYPSSS-ZDUSSCGKSA-N 1 0 303.406 2.294 10 0 DEAERO C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccccc1F ZINC000173511031 198222836 /nfs/dbraw/zinc/22/28/36/198222836.db2.gz RMMJKWWWSLUMEF-ZIAGYGMSSA-N 1 0 321.396 2.083 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333513985 539961826 /nfs/dbraw/zinc/96/18/26/539961826.db2.gz FWCUELHHHGSRLU-HNNXBMFYSA-N 1 0 322.840 2.409 10 0 DEAERO COc1cccc(CCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173748140 198247769 /nfs/dbraw/zinc/24/77/69/198247769.db2.gz PLUVRKNMAAFLKM-ZBFHGGJFSA-N 1 0 319.449 2.362 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000173891995 198265231 /nfs/dbraw/zinc/26/52/31/198265231.db2.gz WQXTWUVMHUCORK-OCCSQVGLSA-N 1 0 319.405 2.039 10 0 DEAERO C[C@@H](Cc1cccs1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173899395 198266130 /nfs/dbraw/zinc/26/61/30/198266130.db2.gz KOAJDLLGRDEKEN-KBPBESRZSA-N 1 0 305.447 2.335 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(F)cc2C(=O)OC)C1 ZINC000173902929 198266913 /nfs/dbraw/zinc/26/69/13/198266913.db2.gz DXTVZYUGNSGJDA-ZDUSSCGKSA-N 1 0 308.397 2.386 10 0 DEAERO COC(C)(C)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272393820 209792499 /nfs/dbraw/zinc/79/24/99/209792499.db2.gz DCAYSCOIFKEQFK-ZBFHGGJFSA-N 1 0 304.434 2.438 10 0 DEAERO CC[C@@H]1CN(C(=O)c2ccccc2SC)CC[N@@H+]1C[C@@H](C)O ZINC000174590854 198357061 /nfs/dbraw/zinc/35/70/61/198357061.db2.gz PLTRTUGQDMDDOH-ZIAGYGMSSA-N 1 0 322.474 2.326 10 0 DEAERO CCc1c(Cl)nc(C)nc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000174684296 198370168 /nfs/dbraw/zinc/37/01/68/198370168.db2.gz ULUBCIUIPYVUSL-GFCCVEGCSA-N 1 0 312.845 2.260 10 0 DEAERO C[C@H]1C[C@@H](N(C)CC(=O)N(C)Cc2cccs2)CC[N@@H+]1C ZINC000174873797 198395665 /nfs/dbraw/zinc/39/56/65/198395665.db2.gz OHAJSQFTGCSGIE-KBPBESRZSA-N 1 0 309.479 2.121 10 0 DEAERO C[C@@H](CCn1cccn1)[NH2+][C@H](Cc1ccccc1)CN(C)C ZINC000158672859 295873710 /nfs/dbraw/zinc/87/37/10/295873710.db2.gz VJUJQBKZEKAUBG-FUHWJXTLSA-N 1 0 300.450 2.424 10 0 DEAERO CO[C@@H](CNC(=O)c1ccccc1OCC[NH+](C)C)C(C)(C)C ZINC000073211139 191293007 /nfs/dbraw/zinc/29/30/07/191293007.db2.gz BRZHNVDMAZTWJF-INIZCTEOSA-N 1 0 322.449 2.418 10 0 DEAERO CC1CCC(C[NH3+])(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000034955488 354161918 /nfs/dbraw/zinc/16/19/18/354161918.db2.gz RXHRGDSBXNTTEZ-UHFFFAOYSA-N 1 0 300.399 2.012 10 0 DEAERO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3ncnn3C1)CCCO2 ZINC000180599527 283003420 /nfs/dbraw/zinc/00/34/20/283003420.db2.gz AEJVPTIWHMSVNC-OCCSQVGLSA-N 1 0 302.353 2.236 10 0 DEAERO CCOC(=O)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1CN(C)CC2 ZINC000004203253 181084682 /nfs/dbraw/zinc/08/46/82/181084682.db2.gz LRDMAULBYRDLTC-SJLPKXTDSA-N 1 0 302.418 2.003 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000047143641 354307288 /nfs/dbraw/zinc/30/72/88/354307288.db2.gz VKAQKMIZTUDXNI-NSHDSACASA-N 1 0 305.422 2.438 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@H]2CNc3ccnn3C2)cc1F ZINC000058305875 354590007 /nfs/dbraw/zinc/59/00/07/354590007.db2.gz MLHUHLFIVJIQHV-NEPJUHHUSA-N 1 0 304.369 2.423 10 0 DEAERO Cn1cc(C[NH2+][C@H]2CC(=O)N(C)C2)c(-c2ccccc2Cl)n1 ZINC000066905815 354738810 /nfs/dbraw/zinc/73/88/10/354738810.db2.gz VDOCQIXCCGZJJJ-LBPRGKRZSA-N 1 0 318.808 2.061 10 0 DEAERO c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH2+]C[C@@H]1CCCO1 ZINC000069645369 354872125 /nfs/dbraw/zinc/87/21/25/354872125.db2.gz JAJXVLRYGRLEMC-AWEZNQCLSA-N 1 0 315.373 2.117 10 0 DEAERO Cc1nnc([C@H](C)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000069016745 354844326 /nfs/dbraw/zinc/84/43/26/354844326.db2.gz HFPSEYRFWDXUQG-MJBXVCDLSA-N 1 0 322.453 2.260 10 0 DEAERO Cn1cc(CCC[NH+]2CCC(c3nnc4ccccn43)CC2)cn1 ZINC000071900505 354897773 /nfs/dbraw/zinc/89/77/73/354897773.db2.gz IQCVWNUVQYNDBW-UHFFFAOYSA-N 1 0 324.432 2.275 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)CCc1cccn1C ZINC000073654639 191336140 /nfs/dbraw/zinc/33/61/40/191336140.db2.gz ZMIBQVDUJILEOT-LSDHHAIUSA-N 1 0 308.470 2.376 10 0 DEAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2ncc(Br)s2)C1 ZINC000390481852 540133673 /nfs/dbraw/zinc/13/36/73/540133673.db2.gz NDZZKMZJKKEINN-RKDXNWHRSA-N 1 0 304.257 2.335 10 0 DEAERO C[C@@H]1Oc2ccc([C@@H](O)CC[NH+]3CCCCC3)cc2NC1=O ZINC000075218185 191443545 /nfs/dbraw/zinc/44/35/45/191443545.db2.gz WKUADQZAXXHIIW-WFASDCNBSA-N 1 0 304.390 2.315 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000401722275 540142280 /nfs/dbraw/zinc/14/22/80/540142280.db2.gz OEWQBLUROHAHHV-QMMMGPOBSA-N 1 0 300.202 2.325 10 0 DEAERO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC000091404320 355594284 /nfs/dbraw/zinc/59/42/84/355594284.db2.gz QTPMEHSGYPTCTC-SMDDNHRTSA-N 1 0 314.476 2.070 10 0 DEAERO c1nc2ncnc(N3CCC[C@H]([NH+]4CCCCCC4)C3)c2[nH]1 ZINC000091482546 355599222 /nfs/dbraw/zinc/59/92/22/355599222.db2.gz ZGFJFSGLTNEUQD-ZDUSSCGKSA-N 1 0 300.410 2.198 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc(C)n1 ZINC000113406584 355758812 /nfs/dbraw/zinc/75/88/12/355758812.db2.gz UAAANKLCHOGEPZ-INIZCTEOSA-N 1 0 304.438 2.454 10 0 DEAERO CCOC(=O)Cc1nn(CCCC[NH+](C)C)c2ccccc12 ZINC000117730459 355777962 /nfs/dbraw/zinc/77/79/62/355777962.db2.gz WLIWYGPLEKCKIT-UHFFFAOYSA-N 1 0 303.406 2.484 10 0 DEAERO CC(=O)N1CCCc2cc(NC(=O)[C@]3(C)CCC[NH2+]3)ccc21 ZINC000120371035 355790556 /nfs/dbraw/zinc/79/05/56/355790556.db2.gz OMZWHLGHEBIOQJ-KRWDZBQOSA-N 1 0 301.390 2.066 10 0 DEAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCc2nc[nH]c21 ZINC000370529478 283126257 /nfs/dbraw/zinc/12/62/57/283126257.db2.gz UDIKHPAWMDWINU-XGUBFFRZSA-N 1 0 318.465 2.312 10 0 DEAERO O=C1CO[C@@H](C[NH+](Cc2ccccc2)Cc2ccccc2)CN1 ZINC000136651331 355868012 /nfs/dbraw/zinc/86/80/12/355868012.db2.gz NXVXQJHCVBSUDW-GOSISDBHSA-N 1 0 310.397 2.204 10 0 DEAERO COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(C)o2)CC1 ZINC000140231627 355883917 /nfs/dbraw/zinc/88/39/17/355883917.db2.gz ZERPQEVPFUPYTK-ZDUSSCGKSA-N 1 0 309.410 2.059 10 0 DEAERO CCCc1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)[nH]n1 ZINC000155329236 355947803 /nfs/dbraw/zinc/94/78/03/355947803.db2.gz QWUKERJRNRBKFR-MRXNPFEDSA-N 1 0 314.433 2.265 10 0 DEAERO C[NH+](C)C[C@@](C)(O)CNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000180751326 356058749 /nfs/dbraw/zinc/05/87/49/356058749.db2.gz XFLYGFGSSLNTIG-YIZWMMSDSA-N 1 0 324.387 2.174 10 0 DEAERO C[C@H]([NH2+][C@H]1CCNC1=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000179062381 356013290 /nfs/dbraw/zinc/01/32/90/356013290.db2.gz DUSHMECWSBSBDU-GUYCJALGSA-N 1 0 323.396 2.478 10 0 DEAERO C[C@@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000179268613 356019189 /nfs/dbraw/zinc/01/91/89/356019189.db2.gz JAFDVVBDOASQCD-OAHLLOKOSA-N 1 0 316.445 2.224 10 0 DEAERO CC[C@@H]1CCCCCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179311916 356020102 /nfs/dbraw/zinc/02/01/02/356020102.db2.gz YMPKTRAOTBFTKK-MRXNPFEDSA-N 1 0 324.513 2.377 10 0 DEAERO CCOCCN1CCN(CCC(=O)c2ccccc2)C[C@@H]1C ZINC000182235567 356115590 /nfs/dbraw/zinc/11/55/90/356115590.db2.gz GMRJSKVLYOIURJ-INIZCTEOSA-N 1 0 304.434 2.302 10 0 DEAERO O=S1(=O)CCC(C[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000181758425 356095453 /nfs/dbraw/zinc/09/54/53/356095453.db2.gz UIOLGDKXVFPRFP-OAHLLOKOSA-N 1 0 309.431 2.315 10 0 DEAERO O=C(N[C@H]1CCCOCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181810860 356097575 /nfs/dbraw/zinc/09/75/75/356097575.db2.gz IAIOXDCOBUUGDR-INIZCTEOSA-N 1 0 309.454 2.073 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccnc2)cc1F ZINC000182000382 356103908 /nfs/dbraw/zinc/10/39/08/356103908.db2.gz FTZFMWJRWAQILH-LBPRGKRZSA-N 1 0 317.364 2.196 10 0 DEAERO C[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1nccs1 ZINC000183045543 356157710 /nfs/dbraw/zinc/15/77/10/356157710.db2.gz YBYDPRALCCUUPY-OLZOCXBDSA-N 1 0 310.467 2.420 10 0 DEAERO C[C@@H](C(=O)NC1CCCCC1)[N@H+](CC(N)=S)C1CCCC1 ZINC000080222902 192013968 /nfs/dbraw/zinc/01/39/68/192013968.db2.gz GBHTZKSABUYBRK-LBPRGKRZSA-N 1 0 311.495 2.355 10 0 DEAERO CC[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1nccs1 ZINC000080269027 192018950 /nfs/dbraw/zinc/01/89/50/192018950.db2.gz BLAPGMILSLBAKD-GZMMTYOYSA-N 1 0 307.341 2.252 10 0 DEAERO C[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000228112103 356281020 /nfs/dbraw/zinc/28/10/20/356281020.db2.gz JAGDTDOSGCUUBW-OUAUKWLOSA-N 1 0 322.232 2.482 10 0 DEAERO CCOC(=O)C(C(=O)OCC)[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000199147054 356266091 /nfs/dbraw/zinc/26/60/91/356266091.db2.gz VYKKMRGMOLNTJO-HNNXBMFYSA-N 1 0 307.390 2.340 10 0 DEAERO CN(Cc1nccs1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080708667 192184891 /nfs/dbraw/zinc/18/48/91/192184891.db2.gz SDYRUPACVIYFAY-YHWZYXNKSA-N 1 0 308.451 2.300 10 0 DEAERO C[C@@H]([NH3+])c1csc(N2C(=O)C[C@H](c3ccccc3)C2=O)n1 ZINC000080871161 192197255 /nfs/dbraw/zinc/19/72/55/192197255.db2.gz UGNIFDRONJOQNO-MWLCHTKSSA-N 1 0 301.371 2.210 10 0 DEAERO CC[C@@](C)(CO)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000080897502 192199757 /nfs/dbraw/zinc/19/97/57/192199757.db2.gz SYDPSWJTCXJEMO-ZDUSSCGKSA-N 1 0 315.211 2.138 10 0 DEAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000080917103 192201315 /nfs/dbraw/zinc/20/13/15/192201315.db2.gz DPMSSIPEDPRGQN-RFAUZJTJSA-N 1 0 309.797 2.285 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085368494 192496977 /nfs/dbraw/zinc/49/69/77/192496977.db2.gz RAZTYIYGQFKIEM-NEPJUHHUSA-N 1 0 310.360 2.321 10 0 DEAERO CC[C@H]([NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)O ZINC000400333620 283155574 /nfs/dbraw/zinc/15/55/74/283155574.db2.gz COCFNEWYRCLSGS-SYQHCUMBSA-N 1 0 300.443 2.381 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCCN1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400355776 283155924 /nfs/dbraw/zinc/15/59/24/283155924.db2.gz BCUFFYUZOLQBMU-SOUVJXGZSA-N 1 0 311.470 2.316 10 0 DEAERO COC[C@@H]1CC[N@H+](CCCOc2ccc(C(N)=S)cc2)C1 ZINC000081065155 192222956 /nfs/dbraw/zinc/22/29/56/192222956.db2.gz FLMCGOYNTKSVNB-CYBMUJFWSA-N 1 0 308.447 2.058 10 0 DEAERO COc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2nc(C)ccc2O)cn1 ZINC000284415200 356369577 /nfs/dbraw/zinc/36/95/77/356369577.db2.gz DJRNQDPPZHDNNP-SUMWQHHRSA-N 1 0 315.373 2.119 10 0 DEAERO CC(C)(O)CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000313697919 356414208 /nfs/dbraw/zinc/41/42/08/356414208.db2.gz RXTDPTNFQBOSPO-JTQLQIEISA-N 1 0 322.232 2.484 10 0 DEAERO C[C@@H]1CC[C@]([NH3+])(c2ncc(I)cn2)C1 ZINC000306647135 356404478 /nfs/dbraw/zinc/40/44/78/356404478.db2.gz PFBKFJTXSFDKFT-GMSGAONNSA-N 1 0 303.147 2.055 10 0 DEAERO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000081329978 192251261 /nfs/dbraw/zinc/25/12/61/192251261.db2.gz KYGIWCHVVZYMBM-PBHICJAKSA-N 1 0 302.418 2.317 10 0 DEAERO CCn1cnnc1[C@H]1CN(Cc2cccc3[nH]ccc32)CCO1 ZINC000328642155 356465885 /nfs/dbraw/zinc/46/58/85/356465885.db2.gz QWPBMLNDGDEALF-MRXNPFEDSA-N 1 0 311.389 2.353 10 0 DEAERO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)cc2c1OCOC2 ZINC000081527290 192282617 /nfs/dbraw/zinc/28/26/17/192282617.db2.gz SHFQMUHMEVOJQK-SNVBAGLBSA-N 1 0 312.797 2.020 10 0 DEAERO C[C@H]1C[C@@H](c2nc(CC(=O)NC3CCCCC3)no2)CC[N@@H+]1C ZINC000350499437 356531841 /nfs/dbraw/zinc/53/18/41/356531841.db2.gz FNFLHDLETCZYRF-STQMWFEESA-N 1 0 320.437 2.259 10 0 DEAERO CCC1(CC)CN(CCCS(C)(=O)=O)[C@@H](C(C)(C)C)C[NH2+]1 ZINC000085519375 192514056 /nfs/dbraw/zinc/51/40/56/192514056.db2.gz GJAXBJHYPJEJBV-CQSZACIVSA-N 1 0 318.527 2.300 10 0 DEAERO C[C@]1(C2CC2)C[NH2+][C@@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085529370 192514208 /nfs/dbraw/zinc/51/42/08/192514208.db2.gz YQDPHWZLWDKHKC-ZIAGYGMSSA-N 1 0 306.372 2.418 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1nc(Cc2ccccc2)ns1 ZINC000236933996 202078833 /nfs/dbraw/zinc/07/88/33/202078833.db2.gz HRQHXTRBXSEJID-GWCFXTLKSA-N 1 0 304.419 2.441 10 0 DEAERO CCC[NH2+][C@@H](CCO)CSc1nc2cc(OC)ccc2[nH]1 ZINC000085928763 192539338 /nfs/dbraw/zinc/53/93/38/192539338.db2.gz YHSMRTRDFAWMRL-NSHDSACASA-N 1 0 309.435 2.414 10 0 DEAERO CC[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H](C)CS(C)(=O)=O ZINC000086268202 192557407 /nfs/dbraw/zinc/55/74/07/192557407.db2.gz UDSDCEAAKOFBPY-CWRNSKLLSA-N 1 0 316.511 2.052 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2)[C@@H](CC)C[NH2+]1 ZINC000086448515 192572703 /nfs/dbraw/zinc/57/27/03/192572703.db2.gz ZMOKIYJSXSRZIT-OLZOCXBDSA-N 1 0 316.854 2.491 10 0 DEAERO COC(=O)c1cnc(NC[C@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000390675743 356710001 /nfs/dbraw/zinc/71/00/01/356710001.db2.gz XLOCMPLDGPGTGK-ZDUSSCGKSA-N 1 0 314.389 2.196 10 0 DEAERO O=C(NCCCC1CC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000578342815 356802385 /nfs/dbraw/zinc/80/23/85/356802385.db2.gz OXVBGNDFQNHBOS-UHFFFAOYSA-N 1 0 323.481 2.321 10 0 DEAERO CC[NH2+][C@@H]1CCN(CCCS(=O)(=O)CC)c2ccccc21 ZINC000086972333 192603563 /nfs/dbraw/zinc/60/35/63/192603563.db2.gz QPXDYIKGBTYQGB-OAHLLOKOSA-N 1 0 310.463 2.372 10 0 DEAERO c1c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)nnn1-c1ccccc1 ZINC000578846587 356880933 /nfs/dbraw/zinc/88/09/33/356880933.db2.gz JOLVUIMQPXVCNY-GVDBMIGSSA-N 1 0 310.401 2.315 10 0 DEAERO CC[C@]1(C)C[NH2+][C@](C)(C2CC2)CN1CCCS(=O)(=O)CC ZINC000086982652 192606863 /nfs/dbraw/zinc/60/68/63/192606863.db2.gz QEPCTQWPQKEERN-CVEARBPZSA-N 1 0 316.511 2.054 10 0 DEAERO c1nc(C2CC2)c(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)s1 ZINC000579355153 356962593 /nfs/dbraw/zinc/96/25/93/356962593.db2.gz QWWLWLILUFHXDW-LBPRGKRZSA-N 1 0 301.419 2.497 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(CC)C2CC2)ccc1F ZINC000088941054 192663286 /nfs/dbraw/zinc/66/32/86/192663286.db2.gz KWVRNPUMVOPTLF-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO Cc1noc(C)c1COc1ccccc1C(=O)NCC[C@@H](C)[NH3+] ZINC000178616549 198898248 /nfs/dbraw/zinc/89/82/48/198898248.db2.gz 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FCPWZDVGQPPGBO-SNVBAGLBSA-N 1 0 308.325 2.197 10 0 DEAERO [NH3+]Cc1nc(-c2nc3cc(Br)cnc3[nH]2)cs1 ZINC000090932850 192954431 /nfs/dbraw/zinc/95/44/31/192954431.db2.gz SKHRCJCQLSFGBH-UHFFFAOYSA-N 1 0 310.180 2.303 10 0 DEAERO CC1(C)CC[C@H](CO)[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000621376913 364381570 /nfs/dbraw/zinc/38/15/70/364381570.db2.gz MIIGTYKIRODFNO-IAGOWNOFSA-N 1 0 307.434 2.047 10 0 DEAERO O=C(CC1OCCCO1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000373535832 283773239 /nfs/dbraw/zinc/77/32/39/283773239.db2.gz MVAMELPKDYRCBJ-MRXNPFEDSA-N 1 0 324.465 2.254 10 0 DEAERO c1cc(CN2CC[NH+](C3CC3)CC2)n(CCc2ccccc2)n1 ZINC000621711019 364520761 /nfs/dbraw/zinc/52/07/61/364520761.db2.gz AQLDKZFQIXRSMC-UHFFFAOYSA-N 1 0 310.445 2.406 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH+]2CC(CC3CC3)C2)cc1 ZINC000621992108 364624700 /nfs/dbraw/zinc/62/47/00/364624700.db2.gz MGXBNJZSDBMRFZ-QGZVFWFLSA-N 1 0 303.402 2.361 10 0 DEAERO COc1ccc(-n2cc(C[N@@H+]3CC[C@@H](CO)[C@@H]3C)cn2)cc1 ZINC000449290823 240317416 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COC(=O)c1c2c(sc1NC(=O)[C@H]1CC[C@H]([NH3+])C1)CCC2 ZINC000091544256 193071659 /nfs/dbraw/zinc/07/16/59/193071659.db2.gz PHXHEBXOXWDPBU-IUCAKERBSA-N 1 0 308.403 2.089 10 0 DEAERO c1nnc2ccc(N3CC[C@H]([NH2+][C@H]4CCC45CCCC5)C3)nn12 ZINC000624116239 365294895 /nfs/dbraw/zinc/29/48/95/365294895.db2.gz LKURVGZSHWUNON-KBPBESRZSA-N 1 0 312.421 2.015 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@](C)(CC)N(CC)CC ZINC000091600811 193078535 /nfs/dbraw/zinc/07/85/35/193078535.db2.gz NFPNJAFULQAKOT-GJZGRUSLSA-N 1 0 306.516 2.300 10 0 DEAERO C[NH2+]CC1CC(OCc2c(Br)c(C)nn2C)C1 ZINC000091472068 193061009 /nfs/dbraw/zinc/06/10/09/193061009.db2.gz DKZRFZXGIFXZOY-UHFFFAOYSA-N 1 0 302.216 2.006 10 0 DEAERO CN(CC1CC([NH3+])C1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000091472355 193061059 /nfs/dbraw/zinc/06/10/59/193061059.db2.gz ZVJUWWUTEWMFEX-UHFFFAOYSA-N 1 0 322.352 2.063 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)ccn1 ZINC000624264218 365360877 /nfs/dbraw/zinc/36/08/77/365360877.db2.gz WEPUNBZTUJGUKK-MLHJIOFPSA-N 1 0 301.434 2.061 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000091718758 193096886 /nfs/dbraw/zinc/09/68/86/193096886.db2.gz CQTMEVUVARMCBQ-GJZGRUSLSA-N 1 0 300.805 2.330 10 0 DEAERO CC[NH2+]C1CCC(N(C)S(=O)(=O)Cc2ccccc2)CC1 ZINC000091869930 193120904 /nfs/dbraw/zinc/12/09/04/193120904.db2.gz HNZJRDDZDFTIBT-UHFFFAOYSA-N 1 0 310.463 2.369 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000091872625 193121409 /nfs/dbraw/zinc/12/14/09/193121409.db2.gz NPBOXFGCHHTBPB-UHFFFAOYSA-N 1 0 316.854 2.491 10 0 DEAERO CC[C@H](C[NH3+])[C@@H](O)c1cc(OC)c(OC)cc1Br ZINC000091908930 193124557 /nfs/dbraw/zinc/12/45/57/193124557.db2.gz QBNSDBNFPZLEGL-AMIZOPFISA-N 1 0 318.211 2.485 10 0 DEAERO C[C@](O)(c1ccc(Br)cc1)[C@@]1(C[NH3+])CCOC1 ZINC000091905811 193124853 /nfs/dbraw/zinc/12/48/53/193124853.db2.gz XUGKHRZTMDFGRK-QWHCGFSZSA-N 1 0 300.196 2.022 10 0 DEAERO CC[C@H](C[NH3+])[C@@H](O)c1cc(Br)c2c(c1)OCCO2 ZINC000091913309 193125949 /nfs/dbraw/zinc/12/59/49/193125949.db2.gz YRBGSEQPJPKLOD-PRHODGIISA-N 1 0 316.195 2.239 10 0 DEAERO COc1cc(F)cc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000091922785 193126801 /nfs/dbraw/zinc/12/68/01/193126801.db2.gz MBGBIXDDAWWVQA-IUODEOHRSA-N 1 0 321.396 2.212 10 0 DEAERO COc1c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(C)nn1C ZINC000091958584 193132708 /nfs/dbraw/zinc/13/27/08/193132708.db2.gz KGRDTFYRFMNTJB-HIFRSBDPSA-N 1 0 319.405 2.418 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000629586409 367263542 /nfs/dbraw/zinc/26/35/42/367263542.db2.gz RFCTXZKEWOFCMA-NVXWUHKLSA-N 1 0 321.417 2.035 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccncc3Br)C[C@H]21 ZINC000629518867 367231580 /nfs/dbraw/zinc/23/15/80/367231580.db2.gz MKVAHYCLWRSDJT-ZKYQVNSYSA-N 1 0 310.239 2.403 10 0 DEAERO CO[C@H]1CN(C(=O)c2ccc(Cl)cc2F)[C@](C)(C[NH3+])C1 ZINC000630368446 367614586 /nfs/dbraw/zinc/61/45/86/367614586.db2.gz SDUYYRZKDDZVKD-YGRLFVJLSA-N 1 0 300.761 2.057 10 0 DEAERO CC(C)CNS(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1F ZINC000092115803 193162983 /nfs/dbraw/zinc/16/29/83/193162983.db2.gz UCORILBCJZGPSA-UHFFFAOYSA-N 1 0 302.415 2.258 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)c(F)c1 ZINC000092115491 193163568 /nfs/dbraw/zinc/16/35/68/193163568.db2.gz PGGAUDAOKNPCDO-LBPRGKRZSA-N 1 0 314.426 2.356 10 0 DEAERO C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116282 193163785 /nfs/dbraw/zinc/16/37/85/193163785.db2.gz NKEBNOBKMIXTIR-WDEREUQCSA-N 1 0 300.399 2.094 10 0 DEAERO Oc1ccc(Br)c(C[NH2+]CC[C@@H](O)C(F)F)c1 ZINC000631217033 368084349 /nfs/dbraw/zinc/08/43/49/368084349.db2.gz QHILWUYLFULTGP-SNVBAGLBSA-N 1 0 310.138 2.260 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc(Cl)c2-n2ccnc2)C1 ZINC000092202398 193172894 /nfs/dbraw/zinc/17/28/94/193172894.db2.gz PQENOCWYAPSSQF-WDEREUQCSA-N 1 0 302.765 2.368 10 0 DEAERO CN(C)c1ccc(Br)cc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092203626 193173190 /nfs/dbraw/zinc/17/31/90/193173190.db2.gz RAXFXFNCEJRMKR-KOLCDFICSA-N 1 0 324.222 2.357 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092206663 193174022 /nfs/dbraw/zinc/17/40/22/193174022.db2.gz BVPFNWGVYHDDJS-QWRGUYRKSA-N 1 0 308.403 2.384 10 0 DEAERO c1cc(-c2noc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)n2)co1 ZINC000451508342 243048482 /nfs/dbraw/zinc/04/84/82/243048482.db2.gz WIKCPWBFWVOPNE-IACUBPJLSA-N 1 0 301.346 2.377 10 0 DEAERO c1cc(-c2noc(CN3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cs1 ZINC000631886689 368443127 /nfs/dbraw/zinc/44/31/27/368443127.db2.gz LGRLRTWGACNOGZ-DGCLKSJQSA-N 1 0 304.419 2.372 10 0 DEAERO c1csc(-c2noc(CN3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000631886951 368443178 /nfs/dbraw/zinc/44/31/78/368443178.db2.gz NGELGFRNJVFWGT-VXGBXAGGSA-N 1 0 304.419 2.372 10 0 DEAERO Brc1cnccc1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888996 368445962 /nfs/dbraw/zinc/44/59/62/368445962.db2.gz BATKFRNEJYFVBK-FZMZJTMJSA-N 1 0 310.239 2.418 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)s1 ZINC000631994387 368484977 /nfs/dbraw/zinc/48/49/77/368484977.db2.gz KWCUAXFYGXMNHO-WCQYABFASA-N 1 0 314.476 2.073 10 0 DEAERO O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631996213 368486267 /nfs/dbraw/zinc/48/62/67/368486267.db2.gz YBQWJGKQWRJRKS-RISCZKNCSA-N 1 0 314.838 2.103 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000332993195 299392763 /nfs/dbraw/zinc/39/27/63/299392763.db2.gz DDGKPDUSLJKLJF-WDFXUMBOSA-N 1 0 308.466 2.473 10 0 DEAERO COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)cc1 ZINC000092970852 193190653 /nfs/dbraw/zinc/19/06/53/193190653.db2.gz HBEGWPGRHCNLIW-ZIAGYGMSSA-N 1 0 321.417 2.220 10 0 DEAERO COCCCN(CCOC)[C@@H](C[NH3+])c1cc(Cl)cs1 ZINC000093095570 193203501 /nfs/dbraw/zinc/20/35/01/193203501.db2.gz SAEKNCCTKUSJOL-LBPRGKRZSA-N 1 0 306.859 2.386 10 0 DEAERO CO[C@H](c1ccccc1F)[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262452979 203298540 /nfs/dbraw/zinc/29/85/40/203298540.db2.gz ZTLJTKUHEOTMFT-QCQGSNGOSA-N 1 0 308.397 2.406 10 0 DEAERO CS(=O)(=O)Nc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000093214095 193217502 /nfs/dbraw/zinc/21/75/02/193217502.db2.gz JQOPDLJZLKXYAQ-VHSXEESVSA-N 1 0 317.842 2.393 10 0 DEAERO NC(=O)c1ccc(O[C@@H]2CCC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000093219487 193218616 /nfs/dbraw/zinc/21/86/16/193218616.db2.gz UHGZCPGRNOPDQZ-RKDXNWHRSA-N 1 0 302.296 2.453 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc(F)c(C[NH3+])c1F ZINC000093265833 193222875 /nfs/dbraw/zinc/22/28/75/193222875.db2.gz CNZGXADTLBOSSO-SNVBAGLBSA-N 1 0 320.405 2.480 10 0 DEAERO CC[NH2+]CCCCS(=O)(=O)N(C)[C@H](C)Cc1cccs1 ZINC000093294651 193226041 /nfs/dbraw/zinc/22/60/41/193226041.db2.gz JJJVAABIOYBBIV-CYBMUJFWSA-N 1 0 318.508 2.330 10 0 DEAERO C[C@@H](C[C@H]1CCC[NH2+]1)Nc1cc(S(C)(=O)=O)ccc1F ZINC000093464007 193256211 /nfs/dbraw/zinc/25/62/11/193256211.db2.gz DDPUBTUXOSESQV-WDEREUQCSA-N 1 0 300.399 2.172 10 0 DEAERO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c(OC)c1OC ZINC000093479701 193256755 /nfs/dbraw/zinc/25/67/55/193256755.db2.gz ANHMKKMLSQVXTB-OCZCAGDBSA-N 1 0 321.417 2.305 10 0 DEAERO C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000093485531 193258346 /nfs/dbraw/zinc/25/83/46/193258346.db2.gz VLHZVWHJLNRXQB-DOMZBBRYSA-N 1 0 311.451 2.391 10 0 DEAERO CC(C)CO[C@H]1C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)C1(C)C ZINC000093523115 193262877 /nfs/dbraw/zinc/26/28/77/193262877.db2.gz YBFZRASWHNNPRH-OLZOCXBDSA-N 1 0 305.484 2.239 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCn1cc(Cl)c(C)n1 ZINC000093616029 193275606 /nfs/dbraw/zinc/27/56/06/193275606.db2.gz RZBCYTFCPUPKFB-DOMZBBRYSA-N 1 0 312.845 2.259 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1nncs1 ZINC000093629403 193276121 /nfs/dbraw/zinc/27/61/21/193276121.db2.gz CXYDGUDXVJORJV-GWCFXTLKSA-N 1 0 314.480 2.044 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1ncccc1Cl ZINC000093631240 193277121 /nfs/dbraw/zinc/27/71/21/193277121.db2.gz DGWLLZYMWPXSMV-QMTHXVAHSA-N 1 0 313.854 2.461 10 0 DEAERO C[C@]([NH3+])(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000093699157 193293125 /nfs/dbraw/zinc/29/31/25/193293125.db2.gz AXWSVHQYRNPFNH-DOMZBBRYSA-N 1 0 314.426 2.061 10 0 DEAERO C[C@@H]1CC[C@]([NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC000093699249 193293270 /nfs/dbraw/zinc/29/32/70/193293270.db2.gz WZBBFLJEERHIOJ-CBBWQLFWSA-N 1 0 302.484 2.202 10 0 DEAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccsc1 ZINC000093699917 193293996 /nfs/dbraw/zinc/29/39/96/193293996.db2.gz HJXPDFWJILKIOU-YPMHNXCESA-N 1 0 302.465 2.070 10 0 DEAERO CC(C)[NH2+]C[C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093701406 193294680 /nfs/dbraw/zinc/29/46/80/193294680.db2.gz TUJDHKMRVWKKQK-HUUCEWRRSA-N 1 0 304.500 2.318 10 0 DEAERO CCC[NH2+]C[C@@](C)(CC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701549 193295089 /nfs/dbraw/zinc/29/50/89/193295089.db2.gz DEPQSNZGUHNGRU-CABCVRRESA-N 1 0 304.500 2.464 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1c1nc2cc(F)c(Br)cc2[nH]1 ZINC000093728937 193298066 /nfs/dbraw/zinc/29/80/66/193298066.db2.gz GUJMLGMVKXZIEA-KBUNVGBDSA-N 1 0 314.158 2.166 10 0 DEAERO OC[C@@]1([NH2+]C2CC2)CCC[C@H](n2cc(Br)cn2)C1 ZINC000093784222 193307634 /nfs/dbraw/zinc/30/76/34/193307634.db2.gz URDUFJAIPPMPKA-QWHCGFSZSA-N 1 0 314.227 2.244 10 0 DEAERO CC[NH2+][C@@H](c1ccc(Cl)c(OC)c1)[C@@H]1CN(C)CCN1C ZINC000094009137 193338144 /nfs/dbraw/zinc/33/81/44/193338144.db2.gz MYTSIOIJHPGMTE-HOCLYGCPSA-N 1 0 311.857 2.245 10 0 DEAERO CCOC(=O)[C@@]1(N)CC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093831935 193314599 /nfs/dbraw/zinc/31/45/99/193314599.db2.gz FATSYPAJORRTNC-DGCLKSJQSA-N 1 0 308.344 2.074 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CC[C@H](Sc2ccc(C(F)(F)F)cn2)C1 ZINC000093850373 193317730 /nfs/dbraw/zinc/31/77/30/193317730.db2.gz LTPDUIHTWUPMQZ-JOYOIKCWSA-N 1 0 319.352 2.189 10 0 DEAERO OC[C@@]1([NH2+]C2CC2)CC[C@@H](N2CCC(C(F)(F)F)CC2)C1 ZINC000093857505 193319647 /nfs/dbraw/zinc/31/96/47/193319647.db2.gz QEXPFDGUEVTWMZ-ZIAGYGMSSA-N 1 0 306.372 2.296 10 0 DEAERO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(Br)cc1O ZINC000093873476 193321770 /nfs/dbraw/zinc/32/17/70/193321770.db2.gz HWIBUYUMKJMQHO-UHFFFAOYSA-N 1 0 315.211 2.212 10 0 DEAERO CCN(CC(C)(C)C[NH3+])C(=O)c1cncc(Br)c1 ZINC000093877540 193322553 /nfs/dbraw/zinc/32/25/53/193322553.db2.gz KRTMZDSQEZWDKL-UHFFFAOYSA-N 1 0 314.227 2.291 10 0 DEAERO CCC[NH2+][C@@H]1CCCc2nc([C@@H]3CN(C)CCN3C)sc21 ZINC000093896228 193325133 /nfs/dbraw/zinc/32/51/33/193325133.db2.gz HKMBHALKBLIYEM-OCCSQVGLSA-N 1 0 308.495 2.438 10 0 DEAERO C[NH2+][C@@H](c1cscc1Br)[C@@H]1CN(C)CCN1C ZINC000093938063 193330458 /nfs/dbraw/zinc/33/04/58/193330458.db2.gz HTOCEBOKQFJVDI-RYUDHWBXSA-N 1 0 318.284 2.017 10 0 DEAERO CCC[NH2+][C@H](C)c1cc(F)ccc1N(C)CCS(C)(=O)=O ZINC000094298846 193357604 /nfs/dbraw/zinc/35/76/04/193357604.db2.gz DNGKRWHLIGPEHB-GFCCVEGCSA-N 1 0 316.442 2.367 10 0 DEAERO CCC[NH2+][C@H]1CCCCCC[C@H]1N(C)CCS(C)(=O)=O ZINC000094298408 193357754 /nfs/dbraw/zinc/35/77/54/193357754.db2.gz YGHFGHCQKWEZCK-LSDHHAIUSA-N 1 0 304.500 2.054 10 0 DEAERO CC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N(C)CCS(C)(=O)=O ZINC000094298442 193358036 /nfs/dbraw/zinc/35/80/36/193358036.db2.gz JNLDLPFKRCTZQE-GOEBONIOSA-N 1 0 312.479 2.011 10 0 DEAERO CCC[NH2+][C@@H](CCN(C)CCS(C)(=O)=O)c1ccccc1 ZINC000094300430 193358739 /nfs/dbraw/zinc/35/87/39/193358739.db2.gz CWUDPSUQKAGBDE-INIZCTEOSA-N 1 0 312.479 2.094 10 0 DEAERO NC(=[NH2+])c1ccc(C(F)(F)F)nc1OC[C@H]1CCCCO1 ZINC000094336832 193361177 /nfs/dbraw/zinc/36/11/77/193361177.db2.gz LMMYOJDRVORVJU-MRVPVSSYSA-N 1 0 303.284 2.332 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(F)c(O[C@H](C)C(=O)N(C)C)c(F)c1 ZINC000094350422 193363381 /nfs/dbraw/zinc/36/33/81/193363381.db2.gz WSHUZLYZWKCSIS-KOLCDFICSA-N 1 0 300.349 2.100 10 0 DEAERO C[NH2+]Cc1cc(F)c(O[C@@H](C)C(=O)NC(C)(C)C)c(F)c1 ZINC000094346417 193363505 /nfs/dbraw/zinc/36/35/05/193363505.db2.gz DAHXTIGHWNBDNL-VIFPVBQESA-N 1 0 300.349 2.366 10 0 DEAERO CCCN(CC1CC[NH2+]CC1)c1ncc(Br)cn1 ZINC000094043939 193340958 /nfs/dbraw/zinc/34/09/58/193340958.db2.gz JEDLMCFMHCEMTN-UHFFFAOYSA-N 1 0 313.243 2.455 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C(C)C)c1ccc(F)cn1 ZINC000094047510 193341763 /nfs/dbraw/zinc/34/17/63/193341763.db2.gz XQMRUKXKQOLQMZ-AWEZNQCLSA-N 1 0 302.415 2.475 10 0 DEAERO CC[NH2+][C@H](Cc1cccnc1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642122 193388646 /nfs/dbraw/zinc/38/86/46/193388646.db2.gz MTKVSZVCQFUNCO-HRCADAONSA-N 1 0 310.463 2.206 10 0 DEAERO CCC[NH2+]C1CCC(O)([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094645069 193389692 /nfs/dbraw/zinc/38/96/92/193389692.db2.gz VTCFIACQRBCXSU-YHNBSYBMSA-N 1 0 317.495 2.263 10 0 DEAERO CC(C)C[N@H+](CCC(N)=S)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094375944 193367278 /nfs/dbraw/zinc/36/72/78/193367278.db2.gz WKRWNAJBKPMBMI-CQSZACIVSA-N 1 0 314.495 2.349 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCCS[C@H]2C)CC1 ZINC000094477682 193372368 /nfs/dbraw/zinc/37/23/68/193372368.db2.gz ILUGPMZFJNBJTL-GXTWGEPZSA-N 1 0 320.524 2.064 10 0 DEAERO CCOC(=O)C[C@]1([NH+]2CCOCC2)CSCC(C)(C)C1 ZINC000094491534 193373631 /nfs/dbraw/zinc/37/36/31/193373631.db2.gz RGFACFHXFOGFQG-OAHLLOKOSA-N 1 0 301.452 2.174 10 0 DEAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)[C@@H]1CSCCO1 ZINC000094503207 193374610 /nfs/dbraw/zinc/37/46/10/193374610.db2.gz ONOQFKOTZYRQBI-PWSUYJOCSA-N 1 0 303.859 2.127 10 0 DEAERO CCC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CSCCO1 ZINC000094504845 193374627 /nfs/dbraw/zinc/37/46/27/193374627.db2.gz BBZWJHVRFMXQBP-AAEUAGOBSA-N 1 0 317.886 2.425 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000094549632 193378807 /nfs/dbraw/zinc/37/88/07/193378807.db2.gz KJSCGOCYIQOWGR-PHDIDXHHSA-N 1 0 308.250 2.191 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000094550256 193378820 /nfs/dbraw/zinc/37/88/20/193378820.db2.gz XGXJSIUBBYSOKI-WPRPVWTQSA-N 1 0 323.245 2.351 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094568010 193380708 /nfs/dbraw/zinc/38/07/08/193380708.db2.gz ONZYOWCYPKYJJD-WCQYABFASA-N 1 0 317.216 2.458 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(Br)ccc1O ZINC000094573762 193381826 /nfs/dbraw/zinc/38/18/26/193381826.db2.gz MDIXTLCGXFLNSQ-QMMMGPOBSA-N 1 0 301.184 2.481 10 0 DEAERO CC[NH+]1CCC(Nc2nc3c(Br)cccn3n2)CC1 ZINC000094603767 193383884 /nfs/dbraw/zinc/38/38/84/193383884.db2.gz DULIHLKBHHHALH-UHFFFAOYSA-N 1 0 324.226 2.388 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNc1nc2c(Br)cccn2n1 ZINC000094602689 193384040 /nfs/dbraw/zinc/38/40/40/193384040.db2.gz XEWQFHGZCPZHNX-SNVBAGLBSA-N 1 0 324.226 2.388 10 0 DEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1nc2c(Br)cccn2n1 ZINC000094608844 193384521 /nfs/dbraw/zinc/38/45/21/193384521.db2.gz KFURUTCXYZVUBV-MWLCHTKSSA-N 1 0 324.226 2.421 10 0 DEAERO NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H]1CCSc1ccncc1 ZINC000094615085 193384597 /nfs/dbraw/zinc/38/45/97/193384597.db2.gz GLCMMKXIUMRJLX-BLLLJJGKSA-N 1 0 305.447 2.340 10 0 DEAERO C[C@H]1CCCN(c2nc3ccc(Br)cn3n2)[C@@H]1C[NH3+] ZINC000094608439 193384608 /nfs/dbraw/zinc/38/46/08/193384608.db2.gz NBEWYOHYRPYANW-GXSJLCMTSA-N 1 0 324.226 2.055 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCN(c2nc3ccc(Br)cn3n2)C1 ZINC000094608416 193384724 /nfs/dbraw/zinc/38/47/24/193384724.db2.gz SISOUMHHUPKCII-UWVGGRQHSA-N 1 0 324.226 2.055 10 0 DEAERO C[C@H](Nc1nc2c(Br)cccn2n1)[C@@H]1CCC[NH2+]C1 ZINC000094607717 193384913 /nfs/dbraw/zinc/38/49/13/193384913.db2.gz KOOIBNHDFHMYPF-VHSXEESVSA-N 1 0 324.226 2.292 10 0 DEAERO CCCN1CCO[C@H]([C@@H](Cc2nc(C)c(C)s2)[NH2+]CC)C1 ZINC000094974601 193409683 /nfs/dbraw/zinc/40/96/83/193409683.db2.gz YJWJDMHZMWNUEY-CABCVRRESA-N 1 0 311.495 2.391 10 0 DEAERO CCC[NH2+][C@H](Cc1nc(C)cs1)C(C)(C)N1CCOCC1 ZINC000094974134 193409696 /nfs/dbraw/zinc/40/96/96/193409696.db2.gz DUTQIURURCOBAW-CQSZACIVSA-N 1 0 311.495 2.473 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1c(F)cc(Br)cc1F ZINC000094716974 193394045 /nfs/dbraw/zinc/39/40/45/193394045.db2.gz DMUIQHXJWXRMEA-ZJUUUORDSA-N 1 0 319.149 2.337 10 0 DEAERO CCC[NH+]1CCC(n2c(=S)[nH]c3c2ncnc3OC)CC1 ZINC000094738889 193394487 /nfs/dbraw/zinc/39/44/87/193394487.db2.gz LPFNUKSKWODVST-UHFFFAOYSA-N 1 0 307.423 2.171 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000094803536 193399531 /nfs/dbraw/zinc/39/95/31/193399531.db2.gz WEWDLUXUMQQBMX-AWEZNQCLSA-N 1 0 302.484 2.361 10 0 DEAERO CCN1C[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1=O ZINC000453356506 245092199 /nfs/dbraw/zinc/09/21/99/245092199.db2.gz LSKHBCLLHNYORB-UAGQMJEPSA-N 1 0 302.418 2.365 10 0 DEAERO C[C@@H]([NH2+]Cc1cnn2ccccc12)C(=O)NCCc1ccccc1 ZINC000453619447 245227311 /nfs/dbraw/zinc/22/73/11/245227311.db2.gz UEEGLENWCWPUNT-OAHLLOKOSA-N 1 0 322.412 2.171 10 0 DEAERO COc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2ccccc2F)cc1 ZINC000008031239 181520363 /nfs/dbraw/zinc/52/03/63/181520363.db2.gz ATFJXVUABSCKDW-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(N2CCOC2=O)cc1)[NH+](C)C ZINC000161710877 197512072 /nfs/dbraw/zinc/51/20/72/197512072.db2.gz OYGLDOMPIRFHSR-CQSZACIVSA-N 1 0 305.378 2.312 10 0 DEAERO COc1ccc(Nc2cc(NN)[nH+]c(SC)n2)cc1OC ZINC000160860089 197445138 /nfs/dbraw/zinc/44/51/38/197445138.db2.gz WXTSOGVBLLEGIC-UHFFFAOYSA-N 1 0 307.379 2.245 10 0 DEAERO CNC(=O)CCCOc1c(C)cc(Br)cc1C[NH3+] ZINC000160673598 197430276 /nfs/dbraw/zinc/43/02/76/197430276.db2.gz NOOAADIGIJUYKP-UHFFFAOYSA-N 1 0 315.211 2.121 10 0 DEAERO Cc1ccc(-c2ccc(OCC(=O)N3CC[NH2+]CC3)cc2)cc1 ZINC000019795606 182150842 /nfs/dbraw/zinc/15/08/42/182150842.db2.gz YHGAHYZMKGUPIM-UHFFFAOYSA-N 1 0 310.397 2.473 10 0 DEAERO COc1ccc(NS(=O)(=O)c2cc(C[NH3+])ccc2C)cc1 ZINC000020189569 182195687 /nfs/dbraw/zinc/19/56/87/182195687.db2.gz XKTYEWTYBCDNAJ-UHFFFAOYSA-N 1 0 306.387 2.263 10 0 DEAERO Cc1cccc(CNS(=O)(=O)c2ccc(F)c(C[NH3+])c2)c1 ZINC000020189125 182195737 /nfs/dbraw/zinc/19/57/37/182195737.db2.gz PAPCRWZQIUKAOY-UHFFFAOYSA-N 1 0 308.378 2.071 10 0 DEAERO COCC[NH2+]CCN(C)c1ncc(Cl)cc1Br ZINC000160048388 197381945 /nfs/dbraw/zinc/38/19/45/197381945.db2.gz YASTZJHCOBWKHX-UHFFFAOYSA-N 1 0 322.634 2.170 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@@](C)(COC)C2)CC1 ZINC000454640294 246016151 /nfs/dbraw/zinc/01/61/51/246016151.db2.gz CWLTUENHTHCOKG-QGZVFWFLSA-N 1 0 311.470 2.176 10 0 DEAERO CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1cccc(N)c1 ZINC000021793715 182289710 /nfs/dbraw/zinc/28/97/10/182289710.db2.gz SYEZWPRRGNYXAZ-CYBMUJFWSA-N 1 0 313.467 2.058 10 0 DEAERO Cc1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(C)s1 ZINC000021891385 182296642 /nfs/dbraw/zinc/29/66/42/182296642.db2.gz WGAYIBHBALOAAG-UHFFFAOYSA-N 1 0 314.476 2.270 10 0 DEAERO CC(C)[C@@H](O)CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000155613719 291607926 /nfs/dbraw/zinc/60/79/26/291607926.db2.gz UJSMWAJILMFDHM-KRWDZBQOSA-N 1 0 304.434 2.306 10 0 DEAERO C[C@H]1CN(C(=O)c2ccnnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456349624 247113343 /nfs/dbraw/zinc/11/33/43/247113343.db2.gz VXPKLXILCXOSSF-OAHLLOKOSA-N 1 0 310.401 2.071 10 0 DEAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CC1(CC(=O)OC)CCCC1 ZINC000456374836 247137202 /nfs/dbraw/zinc/13/72/02/247137202.db2.gz JIZBTHZSDDTTQG-OAHLLOKOSA-N 1 0 324.465 2.443 10 0 DEAERO CC[NH+](CC)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077330623 284571242 /nfs/dbraw/zinc/57/12/42/284571242.db2.gz OQNFAAWKLYSWAG-CQSZACIVSA-N 1 0 304.390 2.421 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc(F)c(Br)c1)[S@](C)=O ZINC000159809377 197366590 /nfs/dbraw/zinc/36/65/90/197366590.db2.gz MXCUFABDGUYPCP-ZKANADHPSA-N 1 0 308.216 2.445 10 0 DEAERO Cn1cc(COc2ccc(Br)cc2CC[NH3+])cn1 ZINC000037720843 182919997 /nfs/dbraw/zinc/91/99/97/182919997.db2.gz WXPJSOGYRVXKSU-UHFFFAOYSA-N 1 0 310.195 2.263 10 0 DEAERO O=C(C[NH2+][C@@H]1CCc2cc(Br)ccc21)NC1CC1 ZINC000040226871 183047858 /nfs/dbraw/zinc/04/78/58/183047858.db2.gz GQHMOAAIHXVALG-CYBMUJFWSA-N 1 0 309.207 2.305 10 0 DEAERO CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000040429212 183066241 /nfs/dbraw/zinc/06/62/41/183066241.db2.gz NCHBJTAUZGMGAG-NSHDSACASA-N 1 0 308.403 2.493 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000040633634 183111832 /nfs/dbraw/zinc/11/18/32/183111832.db2.gz CLFBUXYQEIRTAH-NOZJJQNGSA-N 1 0 305.765 2.204 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N(Cc2cccc(Cl)c2)C(C)C)C1 ZINC000040635386 183112785 /nfs/dbraw/zinc/11/27/85/183112785.db2.gz ZAWDODFUHPMLHP-LSDHHAIUSA-N 1 0 310.825 2.454 10 0 DEAERO COc1nc2sccn2c1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040623108 183109472 /nfs/dbraw/zinc/10/94/72/183109472.db2.gz WVPYUQFYCYALEH-LBPRGKRZSA-N 1 0 308.451 2.224 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2SC(F)F)C1 ZINC000040630045 183110773 /nfs/dbraw/zinc/11/07/73/183110773.db2.gz LJDFRKVEAYARSX-SCZZXKLOSA-N 1 0 302.346 2.317 10 0 DEAERO CCc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040746780 183128745 /nfs/dbraw/zinc/12/87/45/183128745.db2.gz MEYOVWFVRPAMEL-YIONKMFJSA-N 1 0 308.447 2.153 10 0 DEAERO CCCN(CC(=O)Nc1nccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748617 183128893 /nfs/dbraw/zinc/12/88/93/183128893.db2.gz WNDVARZWDVVSEA-FUNVUKJBSA-N 1 0 308.451 2.077 10 0 DEAERO CC(C)N(CC[NH3+])S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000041160470 183179051 /nfs/dbraw/zinc/17/90/51/183179051.db2.gz QXJCPMMZAJWMLB-UHFFFAOYSA-N 1 0 310.341 2.063 10 0 DEAERO COc1ccc(C(C)(C)CNC(=O)CC[NH+](C)C)cc1OC ZINC000041536371 183199449 /nfs/dbraw/zinc/19/94/49/183199449.db2.gz XJHPIUXTQNGSLX-UHFFFAOYSA-N 1 0 308.422 2.049 10 0 DEAERO C[NH+](C)C(C)(C)CNC(=O)CCCc1ccc2c(c1)OCCO2 ZINC000041309519 183185045 /nfs/dbraw/zinc/18/50/45/183185045.db2.gz NRSKAGNFELVGQO-UHFFFAOYSA-N 1 0 320.433 2.237 10 0 DEAERO C[NH+](C)CCCNC(=O)[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000041457268 183192422 /nfs/dbraw/zinc/19/24/22/183192422.db2.gz LTLYRVBDXVZHJE-KRWDZBQOSA-N 1 0 315.392 2.421 10 0 DEAERO CC[NH+](CC)C[C@@H](C)NC(=O)C1(C(N)=S)CCCCCC1 ZINC000041680968 183216205 /nfs/dbraw/zinc/21/62/05/183216205.db2.gz XZYJTWIHETYFRR-CYBMUJFWSA-N 1 0 313.511 2.460 10 0 DEAERO CC[C@@H]([NH3+])Cc1cccc(Br)c1OCC(=O)OC ZINC000042412889 183266720 /nfs/dbraw/zinc/26/67/20/183266720.db2.gz DACDEULOIWBERK-SNVBAGLBSA-N 1 0 316.195 2.281 10 0 DEAERO CC(C)N(CCCO)c1nc2sccn2c1C[NH2+]C1CC1 ZINC000042511553 183278656 /nfs/dbraw/zinc/27/86/56/183278656.db2.gz IEWIVRNYGCLYLB-UHFFFAOYSA-N 1 0 308.451 2.245 10 0 DEAERO C[C@H](C(=O)N(C)C)n1c(N)[nH+]c2cc(Br)ccc21 ZINC000042572405 183285264 /nfs/dbraw/zinc/28/52/64/183285264.db2.gz HJLQLSTVSGAFLW-SSDOTTSWSA-N 1 0 311.183 2.030 10 0 DEAERO C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000042609411 183290600 /nfs/dbraw/zinc/29/06/00/183290600.db2.gz RXQDASQPQYSKKO-XJKSGUPXSA-N 1 0 310.463 2.486 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1cccc(C)c1 ZINC000042970475 183324517 /nfs/dbraw/zinc/32/45/17/183324517.db2.gz VAIIDZQCRHMVGU-SMDDNHRTSA-N 1 0 304.419 2.231 10 0 DEAERO CC(C)N(CC(F)(F)F)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000042768638 183307328 /nfs/dbraw/zinc/30/73/28/183307328.db2.gz NOBMOIGHVJPNNY-UHFFFAOYSA-N 1 0 324.368 2.248 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCc2sccc2[C@H]1C ZINC000042782425 183309011 /nfs/dbraw/zinc/30/90/11/183309011.db2.gz OERHNEYIYBTYFX-GFCCVEGCSA-N 1 0 316.492 2.385 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1sccc1C)N1CCC[C@@H]1C(=O)N(C)C ZINC000043248010 183346684 /nfs/dbraw/zinc/34/66/84/183346684.db2.gz CKTDYXVTKLAENH-BFHYXJOUSA-N 1 0 309.479 2.388 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N1CCCN(C(C)=O)CC1 ZINC000043243209 183347220 /nfs/dbraw/zinc/34/72/20/183347220.db2.gz MYBGKHJDCJVHNM-GDBMZVCRSA-N 1 0 309.479 2.389 10 0 DEAERO C[NH2+][C@H](c1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000043300634 183352402 /nfs/dbraw/zinc/35/24/02/183352402.db2.gz BNFHYUBZMDNYNK-CABZTGNLSA-N 1 0 323.336 2.280 10 0 DEAERO CC(C)[NH2+]Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000043479847 183365602 /nfs/dbraw/zinc/36/56/02/183365602.db2.gz GFOQXJARJKQFMI-GFCCVEGCSA-N 1 0 317.838 2.404 10 0 DEAERO CCC[NH2+]Cc1ccc(OCCS(C)(=O)=O)c(Cl)c1 ZINC000043479399 183365625 /nfs/dbraw/zinc/36/56/25/183365625.db2.gz PDFJLDJRODHNCX-UHFFFAOYSA-N 1 0 305.827 2.263 10 0 DEAERO CCS(=O)(=O)CCOc1ccc(C[C@H](C)[NH3+])cc1Cl ZINC000043491511 183366358 /nfs/dbraw/zinc/36/63/58/183366358.db2.gz COLJIZMUAUIDNY-JTQLQIEISA-N 1 0 305.827 2.043 10 0 DEAERO Nc1cc(C(F)(F)F)ccc1SCCN1CC[NH2+]CC1 ZINC000043500662 183367502 /nfs/dbraw/zinc/36/75/02/183367502.db2.gz MOYZULPCJWIDFB-UHFFFAOYSA-N 1 0 305.369 2.285 10 0 DEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)c(F)c2)C1 ZINC000043581125 183373361 /nfs/dbraw/zinc/37/33/61/183373361.db2.gz DCINVIQHGRPJHP-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO O=C(Nc1ccc(Br)cc1Cl)[C@H]1C[NH2+]CCO1 ZINC000043707928 183382971 /nfs/dbraw/zinc/38/29/71/183382971.db2.gz YJDRVVVMNFQMAW-SNVBAGLBSA-N 1 0 319.586 2.029 10 0 DEAERO C[C@H](CC[NH+](C)C)Nc1nc2c(cc1C(N)=S)CCCC2 ZINC000043410950 183360305 /nfs/dbraw/zinc/36/03/05/183360305.db2.gz KDCLNNYDGSFINE-LLVKDONJSA-N 1 0 306.479 2.347 10 0 DEAERO CCC(C)(C)NC(=O)[C@@H](C)[N@H+](CCC(N)=S)CC(C)C ZINC000043418472 183360640 /nfs/dbraw/zinc/36/06/40/183360640.db2.gz NVOIFZSLOHSBQK-GFCCVEGCSA-N 1 0 301.500 2.314 10 0 DEAERO CCC[NH2+]CC(=O)Nc1ccccc1I ZINC000044288122 183403065 /nfs/dbraw/zinc/40/30/65/183403065.db2.gz 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/nfs/dbraw/zinc/06/66/40/194066640.db2.gz PXOXODLUXGIDHA-AWEZNQCLSA-N 1 0 301.394 2.056 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCCc2nc(C(C)(C)C)cs2)C1 ZINC000105295535 194093863 /nfs/dbraw/zinc/09/38/63/194093863.db2.gz QIMCYUJOLZDCRA-LBPRGKRZSA-N 1 0 324.494 2.329 10 0 DEAERO O=c1[nH]c(CC[NH+]2CCC(c3ncc[nH]3)CC2)nc2ccccc21 ZINC000533026115 284748648 /nfs/dbraw/zinc/74/86/48/284748648.db2.gz VVUUWDFTWISBPQ-UHFFFAOYSA-N 1 0 323.400 2.481 10 0 DEAERO c1ccc(OCCC[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000105798825 194130620 /nfs/dbraw/zinc/13/06/20/194130620.db2.gz FUPXFBRPUONXRS-UHFFFAOYSA-N 1 0 312.417 2.458 10 0 DEAERO CCNc1cc(NCC[S@@](C)=O)nc(-c2ccccc2)[nH+]1 ZINC000159439853 197353321 /nfs/dbraw/zinc/35/33/21/197353321.db2.gz PPJBFHOATZAVRO-NRFANRHFSA-N 1 0 304.419 2.366 10 0 DEAERO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(F)c(F)c3)CC2)cn1 ZINC000105869306 194151392 /nfs/dbraw/zinc/15/13/92/194151392.db2.gz HZJBKGOQDLQRCV-UHFFFAOYSA-N 1 0 320.387 2.406 10 0 DEAERO CCN(C(=O)[C@H](C)[NH2+]CCn1cc(C)cn1)c1ccccc1 ZINC000105881370 194155026 /nfs/dbraw/zinc/15/50/26/194155026.db2.gz CPJQKQFFIBMNFB-HNNXBMFYSA-N 1 0 300.406 2.223 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)NCc2ccccc2Cl)c1 ZINC000105881471 194155568 /nfs/dbraw/zinc/15/55/68/194155568.db2.gz XIURKQBZTMESJQ-ZDUSSCGKSA-N 1 0 320.824 2.139 10 0 DEAERO C[N@H+](CCC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105909573 194166785 /nfs/dbraw/zinc/16/67/85/194166785.db2.gz HPVGVTKXACZVEQ-CQSZACIVSA-N 1 0 320.437 2.109 10 0 DEAERO CC(C)(C)OC(=O)CC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105909931 194167288 /nfs/dbraw/zinc/16/72/88/194167288.db2.gz CFRTXADIALKUAM-UHFFFAOYSA-N 1 0 306.410 2.085 10 0 DEAERO C[N@H+](CCC(=O)OC(C)(C)C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105909575 194167342 /nfs/dbraw/zinc/16/73/42/194167342.db2.gz HPVGVTKXACZVEQ-AWEZNQCLSA-N 1 0 320.437 2.109 10 0 DEAERO CCn1cnnc1C1CC[NH+](CC(=O)N(C(C)C)C(C)C)CC1 ZINC000105929844 194173398 /nfs/dbraw/zinc/17/33/98/194173398.db2.gz 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ZINC000111004582 194380775 /nfs/dbraw/zinc/38/07/75/194380775.db2.gz BPOSCRRIMHTOEC-ZIAGYGMSSA-N 1 0 317.476 2.251 10 0 DEAERO CC[NH2+]Cc1cnc(N2CCN(c3nccs3)CC2)s1 ZINC000054901353 183953839 /nfs/dbraw/zinc/95/38/39/183953839.db2.gz IEXNMLASJUAWOF-UHFFFAOYSA-N 1 0 309.464 2.036 10 0 DEAERO Cc1sc2[nH]c(C[NH2+]CC3CCOCC3)nc(=O)c2c1C ZINC000111162534 194397643 /nfs/dbraw/zinc/39/76/43/194397643.db2.gz RZUQTFUNIQWDMN-UHFFFAOYSA-N 1 0 307.419 2.118 10 0 DEAERO CCCN(CC(F)(F)F)C(=O)[C@@]1([NH3+])C[C@@H](OCC)C1(C)C ZINC000156946276 197151578 /nfs/dbraw/zinc/15/15/78/197151578.db2.gz LOMJMCXZOKAVRO-MFKMUULPSA-N 1 0 310.360 2.320 10 0 DEAERO CC(C)OCCCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000057202832 184029678 /nfs/dbraw/zinc/02/96/78/184029678.db2.gz BYVUJAKNBATDQI-QGZVFWFLSA-N 1 0 321.465 2.274 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2nnc(C(F)F)s2)C1 ZINC000057292757 184032702 /nfs/dbraw/zinc/03/27/02/184032702.db2.gz DECWBLZNPBOXQU-ZETCQYMHSA-N 1 0 305.354 2.082 10 0 DEAERO c1nc2ncnc(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2[nH]1 ZINC000059386710 184137698 /nfs/dbraw/zinc/13/76/98/184137698.db2.gz ZZUWXRIKRNRVQO-CQSZACIVSA-N 1 0 308.389 2.429 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(C(N)=S)cc1)[N@H+](C)CC1CCC1 ZINC000061457996 184171188 /nfs/dbraw/zinc/17/11/88/184171188.db2.gz RACZXQHBLGYBPR-NSHDSACASA-N 1 0 305.447 2.380 10 0 DEAERO CCN(CC)CC[NH2+]Cc1ccc(OCCOC)c(OC)c1 ZINC000060958709 184159052 /nfs/dbraw/zinc/15/90/52/184159052.db2.gz KQSJOGBQFJAFPJ-UHFFFAOYSA-N 1 0 310.438 2.152 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000061230978 184166602 /nfs/dbraw/zinc/16/66/02/184166602.db2.gz KAYCYUOIQZNDFT-SECBINFHSA-N 1 0 305.300 2.207 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000061271009 184167326 /nfs/dbraw/zinc/16/73/26/184167326.db2.gz DHMCIAKKMQLJDE-JTQLQIEISA-N 1 0 307.785 2.247 10 0 DEAERO [NH3+]Cc1ccccc1CNC(=O)c1ccc(Br)cn1 ZINC000061864111 184190518 /nfs/dbraw/zinc/19/05/18/184190518.db2.gz HUPVOYHOZBJFSQ-UHFFFAOYSA-N 1 0 320.190 2.233 10 0 DEAERO C[C@H](C[NH+]1CCCC1)Nc1nc(Cl)nc(N2CCCC2)n1 ZINC000061539162 184173037 /nfs/dbraw/zinc/17/30/37/184173037.db2.gz OFMIEEAPMUJLCD-LLVKDONJSA-N 1 0 310.833 2.021 10 0 DEAERO CC(C)[C@@H](C[NH+](C)C)Nc1nc(Cl)nc(N2CCCC2)n1 ZINC000061539297 184173479 /nfs/dbraw/zinc/17/34/79/184173479.db2.gz APRKESFXCMRWGN-LLVKDONJSA-N 1 0 312.849 2.123 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1cccc(F)c1 ZINC000061594720 184176025 /nfs/dbraw/zinc/17/60/25/184176025.db2.gz NRUHVLYBKXRGHO-QPUJVOFHSA-N 1 0 308.382 2.226 10 0 DEAERO CCn1c(S[C@@H](c2ccc(Cl)s2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594372 184176204 /nfs/dbraw/zinc/17/62/04/184176204.db2.gz RTDNOFMMDPAVGG-IMTBSYHQSA-N 1 0 318.855 2.487 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1cccc(F)c1 ZINC000061594435 184176283 /nfs/dbraw/zinc/17/62/83/184176283.db2.gz ZWAUYRKKHIWHMJ-VXGBXAGGSA-N 1 0 310.398 2.301 10 0 DEAERO CCCn1c(S[C@H](c2ccccc2F)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594952 184176501 /nfs/dbraw/zinc/17/65/01/184176501.db2.gz CFRYGBWBUZZMRO-CABZTGNLSA-N 1 0 310.398 2.301 10 0 DEAERO CC(C)n1c(S[C@@H](c2ccccc2F)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595225 184176615 /nfs/dbraw/zinc/17/66/15/184176615.db2.gz QJEVBUYMDWAIQW-BXKDBHETSA-N 1 0 310.398 2.472 10 0 DEAERO CCOc1ccc(OCC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061605683 184177558 /nfs/dbraw/zinc/17/75/58/184177558.db2.gz JSENRNQRDIDCNE-UHFFFAOYSA-N 1 0 318.417 2.161 10 0 DEAERO CCNc1ccc(Cl)c(C(=O)N2CCC[C@H]2C[NH+](C)C)n1 ZINC000061656048 184181069 /nfs/dbraw/zinc/18/10/69/184181069.db2.gz HUQOFZNDLYNLBA-NSHDSACASA-N 1 0 310.829 2.333 10 0 DEAERO CNc1nc(CN2CCC[C@@H]2C[NH+](C)C)nc2sccc21 ZINC000061653195 184181099 /nfs/dbraw/zinc/18/10/99/184181099.db2.gz GMPZEFKETRURET-LLVKDONJSA-N 1 0 305.451 2.259 10 0 DEAERO COc1ccc(C(=O)Nc2nc3c(s2)C[NH2+]CC3)cc1F ZINC000061669249 184181706 /nfs/dbraw/zinc/18/17/06/184181706.db2.gz LQGHOHDLXHNZHV-UHFFFAOYSA-N 1 0 307.350 2.189 10 0 DEAERO COc1ccc(Br)cc1[C@H]([NH3+])C[C@H](C)CC(N)=O ZINC000061830213 184188948 /nfs/dbraw/zinc/18/89/48/184188948.db2.gz ZDUJJEUIJNGLAD-GZMMTYOYSA-N 1 0 315.211 2.359 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Br)s1)N1CCCOCC1 ZINC000061914235 184195331 /nfs/dbraw/zinc/19/53/31/184195331.db2.gz PJJNYEMBUFONCC-VIFPVBQESA-N 1 0 305.241 2.233 10 0 DEAERO COC(=O)[C@]1(Nc2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000061991469 184199678 /nfs/dbraw/zinc/19/96/78/184199678.db2.gz PJOWZJBUHVGBTC-ZDUSSCGKSA-N 1 0 313.195 2.108 10 0 DEAERO COc1ccc(C[NH2+]CCN(C)C2CC2)cc1OC(F)F ZINC000061992487 184200598 /nfs/dbraw/zinc/20/05/98/184200598.db2.gz SABOTRRCUGVLIL-UHFFFAOYSA-N 1 0 300.349 2.480 10 0 DEAERO C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000062027777 184201753 /nfs/dbraw/zinc/20/17/53/184201753.db2.gz VAWGPPOZRWFEOB-NWDGAFQWSA-N 1 0 316.854 2.415 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)CCCOC)cc1 ZINC000062037789 184203089 /nfs/dbraw/zinc/20/30/89/184203089.db2.gz RMAZSCHLLKWYFL-CYBMUJFWSA-N 1 0 314.451 2.014 10 0 DEAERO Cc1oc(-c2cccc(F)c2)nc1CC(=O)NCCC[NH+](C)C ZINC000062066102 184203849 /nfs/dbraw/zinc/20/38/49/184203849.db2.gz RZSKEAORVRPMAS-UHFFFAOYSA-N 1 0 319.380 2.400 10 0 DEAERO C[C@H](Cc1ccccc1)NS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000062190119 184218054 /nfs/dbraw/zinc/21/80/54/184218054.db2.gz LWRVXLOOGZPHDU-GDBMZVCRSA-N 1 0 310.463 2.069 10 0 DEAERO CC(C)(C)N1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000062210195 184220675 /nfs/dbraw/zinc/22/06/75/184220675.db2.gz NDBAJMCSMUVBKY-CPCISQLKSA-N 1 0 301.184 2.441 10 0 DEAERO COc1ccccc1CCNC(=O)NCC(C)(C)[NH+]1CCCC1 ZINC000062364378 184232735 /nfs/dbraw/zinc/23/27/35/184232735.db2.gz PIVJAOKCJFLETJ-UHFFFAOYSA-N 1 0 319.449 2.411 10 0 DEAERO CNC(=O)COc1c(Cl)cc(C[NH2+]C(C)(C)C)cc1OC ZINC000062727779 184250939 /nfs/dbraw/zinc/25/09/39/184250939.db2.gz VHPVCCBOWRCRDJ-UHFFFAOYSA-N 1 0 314.813 2.362 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC(=O)OC ZINC000062733033 184251162 /nfs/dbraw/zinc/25/11/62/184251162.db2.gz NBIWYFDYPKMOKK-UHFFFAOYSA-N 1 0 322.188 2.281 10 0 DEAERO CCOC(=O)COc1ccc(C[NH2+]CCOC)cc1Cl ZINC000062730532 184251279 /nfs/dbraw/zinc/25/12/79/184251279.db2.gz LSUOSRXMYPIHLZ-UHFFFAOYSA-N 1 0 301.770 2.018 10 0 DEAERO CN(c1ccccc1C[NH2+]C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000062736356 184251592 /nfs/dbraw/zinc/25/15/92/184251592.db2.gz GRAGVFMLUVPTAQ-AWEZNQCLSA-N 1 0 310.463 2.198 10 0 DEAERO CC1(C(=O)NCc2cccc(Br)c2)CC[NH2+]CC1 ZINC000062841244 184255761 /nfs/dbraw/zinc/25/57/61/184255761.db2.gz DOBBUYPJQYEIEH-UHFFFAOYSA-N 1 0 311.223 2.455 10 0 DEAERO CCC[C@@]1(C(=O)N(CCOC)[C@H]2CCSC2)CCC[NH2+]C1 ZINC000062857005 184256832 /nfs/dbraw/zinc/25/68/32/184256832.db2.gz FYCSPAUMVVOKFO-GOEBONIOSA-N 1 0 314.495 2.137 10 0 DEAERO CNc1ncc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000062943559 184261599 /nfs/dbraw/zinc/26/15/99/184261599.db2.gz XPNHSOXAEPXKFU-GFCCVEGCSA-N 1 0 308.813 2.087 10 0 DEAERO C[NH2+]Cc1ccc(OCc2cnn(C)c2)c(Br)c1 ZINC000062700782 184247750 /nfs/dbraw/zinc/24/77/50/184247750.db2.gz RALAGMIMHMBZSI-UHFFFAOYSA-N 1 0 310.195 2.481 10 0 DEAERO C[NH+](C)[C@@H]1CCN(CC(=O)c2ccc(Br)s2)C1 ZINC000062966550 184262958 /nfs/dbraw/zinc/26/29/58/184262958.db2.gz SEODIBRYANTQQL-SECBINFHSA-N 1 0 317.252 2.329 10 0 DEAERO C[NH+](C)[C@H]1CCN(CCNc2ccc(Br)cc2)C1 ZINC000062974162 184263672 /nfs/dbraw/zinc/26/36/72/184263672.db2.gz HOXGRFVLPZHHIG-AWEZNQCLSA-N 1 0 312.255 2.497 10 0 DEAERO CCC1CCC(C[NH3+])(N(CC)CCCS(C)(=O)=O)CC1 ZINC000063014591 184266411 /nfs/dbraw/zinc/26/64/11/184266411.db2.gz QZWCZGBFXQBCPH-UHFFFAOYSA-N 1 0 304.500 2.041 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000063174855 184276040 /nfs/dbraw/zinc/27/60/40/184276040.db2.gz YFYQHLPXPVNWFL-WDEREUQCSA-N 1 0 309.218 2.152 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1cc(F)cc(Br)c1 ZINC000063172451 184276077 /nfs/dbraw/zinc/27/60/77/184276077.db2.gz IRTCALOALQERSV-WDEREUQCSA-N 1 0 301.159 2.198 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000063175981 184276756 /nfs/dbraw/zinc/27/67/56/184276756.db2.gz JUUCLPUXPDXWMJ-WDEREUQCSA-N 1 0 309.218 2.152 10 0 DEAERO COC[C@H]([NH3+])C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000262320982 274050081 /nfs/dbraw/zinc/05/00/81/274050081.db2.gz QJSWQPWTZWSZTR-QWRGUYRKSA-N 1 0 303.189 2.071 10 0 DEAERO CC[NH+](CC)CCNCc1cccc(OC)c1OCCOC ZINC000066116660 184390842 /nfs/dbraw/zinc/39/08/42/184390842.db2.gz IJNWFZBRIZDLEY-UHFFFAOYSA-N 1 0 310.438 2.152 10 0 DEAERO O=C(CCc1cccc2c1OCO2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000185408826 207366398 /nfs/dbraw/zinc/36/63/98/207366398.db2.gz CCLXOXFBIGUNET-HNNXBMFYSA-N 1 0 316.401 2.045 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CCc1nc(C2CCCC2)no1 ZINC000538316592 285031486 /nfs/dbraw/zinc/03/14/86/285031486.db2.gz BRKZCAXBYAVOCU-UHFFFAOYSA-N 1 0 308.426 2.070 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000163318850 285038867 /nfs/dbraw/zinc/03/88/67/285038867.db2.gz ZCWHNYZRYXCHGB-MAUKXSAKSA-N 1 0 304.434 2.383 10 0 DEAERO CCC[C@@](C)(O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000119873979 195053633 /nfs/dbraw/zinc/05/36/33/195053633.db2.gz JSGOLFBJTVGLTE-GOSISDBHSA-N 1 0 304.434 2.450 10 0 DEAERO Cc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)cc1Br ZINC000119917097 195061306 /nfs/dbraw/zinc/06/13/06/195061306.db2.gz YCHOIIOYMBMUSK-CYBMUJFWSA-N 1 0 313.239 2.178 10 0 DEAERO Cc1ccc(C2(C(=O)N(C)CCC[NH+](C)C)CCOCC2)cc1 ZINC000539416720 285076726 /nfs/dbraw/zinc/07/67/26/285076726.db2.gz XPXWRYCVOHBRME-UHFFFAOYSA-N 1 0 318.461 2.453 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ncccc1OCC(F)(F)F ZINC000539418151 285076885 /nfs/dbraw/zinc/07/68/85/285076885.db2.gz UODWZQLPOJTEIH-UHFFFAOYSA-N 1 0 319.327 2.046 10 0 DEAERO CCc1nc2sccc2c(N2CC[NH+]([C@@H](CC)CO)CC2)n1 ZINC000270186302 208249838 /nfs/dbraw/zinc/24/98/38/208249838.db2.gz AXOYYPUQFGRLTJ-LBPRGKRZSA-N 1 0 320.462 2.147 10 0 DEAERO c1nc(N2CCCC2)ncc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000539893985 285098960 /nfs/dbraw/zinc/09/89/60/285098960.db2.gz FGHLSVQITHZTID-DLBZAZTESA-N 1 0 316.449 2.325 10 0 DEAERO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000540143611 285110149 /nfs/dbraw/zinc/11/01/49/285110149.db2.gz TUZLWJQIKPGPEU-ZDUSSCGKSA-N 1 0 300.406 2.489 10 0 DEAERO CC1(C)CN(C2CCS(=O)CC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000159219988 197337463 /nfs/dbraw/zinc/33/74/63/197337463.db2.gz URRIJJBNSNLIAV-TZQQIIETSA-N 1 0 306.475 2.323 10 0 DEAERO CC[C@H](C)[C@@H]1CN(C2CCS(=O)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000159210062 197336193 /nfs/dbraw/zinc/33/61/93/197336193.db2.gz XJMGVHXGUVYRKW-QZJAMERBSA-N 1 0 300.512 2.242 10 0 DEAERO CC(C)[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1CC[S@](C)=O ZINC000159182065 197333703 /nfs/dbraw/zinc/33/37/03/197333703.db2.gz HCVCOXZEQCMUAY-XGHQBKJUSA-N 1 0 308.491 2.210 10 0 DEAERO COC[C@@H]([NH3+])C(=O)Nc1ccccc1SCC(F)(F)F ZINC000159183474 197333734 /nfs/dbraw/zinc/33/37/34/197333734.db2.gz YBGCVYXUZCZFFN-MRVPVSSYSA-N 1 0 308.325 2.253 10 0 DEAERO Cc1c(C(=O)N[C@H](C[NH3+])C2CC2)cnn1-c1ccccc1Cl ZINC000159124560 197329163 /nfs/dbraw/zinc/32/91/63/197329163.db2.gz QCTJHLVBAYGQNK-CQSZACIVSA-N 1 0 318.808 2.301 10 0 DEAERO CCCC[C@@H](C)NS(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159105106 197327952 /nfs/dbraw/zinc/32/79/52/197327952.db2.gz ANAYQCJARQQSQU-LLVKDONJSA-N 1 0 302.415 2.450 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N[C@@H]2CC2(C)C)cc(C)c1F ZINC000159103673 197327632 /nfs/dbraw/zinc/32/76/32/197327632.db2.gz WPRHTRNOJRTPCU-CYBMUJFWSA-N 1 0 314.426 2.320 10 0 DEAERO Cc1cc(S(=O)(=O)NC(C)C)cc(C[NH2+]C(C)C)c1F ZINC000159080617 197325946 /nfs/dbraw/zinc/32/59/46/197325946.db2.gz BOTDGJNQVAGDJI-UHFFFAOYSA-N 1 0 302.415 2.319 10 0 DEAERO CC(C)(C)[NH2+]Cc1cc(S(=O)(=O)NC2CC2)ccc1F ZINC000159083988 197325458 /nfs/dbraw/zinc/32/54/58/197325458.db2.gz YVEYGUZRYLOTAZ-UHFFFAOYSA-N 1 0 300.399 2.155 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NC2CCCCC2)cc(C)c1F ZINC000159076723 197324235 /nfs/dbraw/zinc/32/42/35/197324235.db2.gz PELXMKZJCGGDAH-UHFFFAOYSA-N 1 0 314.426 2.465 10 0 DEAERO CCn1cc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)cn1 ZINC000159133661 197330051 /nfs/dbraw/zinc/33/00/51/197330051.db2.gz WYIPRWOGSIXLIN-RHSMWYFYSA-N 1 0 314.433 2.253 10 0 DEAERO CO[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC000158942513 197313066 /nfs/dbraw/zinc/31/30/66/197313066.db2.gz LTCMHPGGNIZKAR-CABCVRRESA-N 1 0 313.486 2.467 10 0 DEAERO Cc1c(C(=O)N(C)CCC[NH+](C)C)cnn1-c1ccccc1F ZINC000540515655 285119382 /nfs/dbraw/zinc/11/93/82/285119382.db2.gz NTHJJPRDRYCLHO-UHFFFAOYSA-N 1 0 318.396 2.344 10 0 DEAERO CCO[C@@H](C[NH3+])CC[S@](=O)c1cccc(Br)c1 ZINC000158933188 197312206 /nfs/dbraw/zinc/31/22/06/197312206.db2.gz ZLRFBEWIJGUTNB-PIGZYNQJSA-N 1 0 320.252 2.311 10 0 DEAERO C[NH2+][C@@H](c1sccc1Cl)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000159021152 197319984 /nfs/dbraw/zinc/31/99/84/197319984.db2.gz BFIBBPBGFANCAR-LLVKDONJSA-N 1 0 321.789 2.240 10 0 DEAERO COC[C@H]([NH2+]C1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000557274533 291863743 /nfs/dbraw/zinc/86/37/43/291863743.db2.gz ONIQVJUEOAQOBL-KRWDZBQOSA-N 1 0 312.417 2.423 10 0 DEAERO Nc1c[nH+]ccc1N1CCN(C(=O)c2sccc2Cl)CC1 ZINC000158992772 197317318 /nfs/dbraw/zinc/31/73/18/197317318.db2.gz PWGQQXDTLAMKGZ-UHFFFAOYSA-N 1 0 322.821 2.341 10 0 DEAERO CCn1nc(C)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1Cl ZINC000158980133 197315876 /nfs/dbraw/zinc/31/58/76/197315876.db2.gz NHEMSGFNLIVLQZ-JQWIXIFHSA-N 1 0 312.845 2.323 10 0 DEAERO CC[C@@H]([NH3+])Cc1cnc(Sc2nc(C)cc(=O)[nH]2)c(C)c1 ZINC000158960945 197314516 /nfs/dbraw/zinc/31/45/16/197314516.db2.gz WCAAXNVWWCCWOF-GFCCVEGCSA-N 1 0 304.419 2.213 10 0 DEAERO COc1cccc(C[C@H]([NH3+])c2c(Br)cnn2C)c1 ZINC000158874112 197307971 /nfs/dbraw/zinc/30/79/71/197307971.db2.gz LNYVOTDDASJQSC-LBPRGKRZSA-N 1 0 310.195 2.434 10 0 DEAERO C[C@H]([NH3+])c1cccc(S(=O)(=O)N2CCSC(C)(C)C2)c1 ZINC000158873402 197307317 /nfs/dbraw/zinc/30/73/17/197307317.db2.gz VTUFXAUJBMEFQD-NSHDSACASA-N 1 0 314.476 2.222 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000158910310 197310381 /nfs/dbraw/zinc/31/03/81/197310381.db2.gz BJFIUPLYHRBZET-RXMQYKEDSA-N 1 0 312.238 2.075 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccccc3F)CC[C@@H]21 ZINC000158701422 197294689 /nfs/dbraw/zinc/29/46/89/197294689.db2.gz MBQGCNRQBZSLKU-BBRMVZONSA-N 1 0 305.397 2.180 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)c1ccc(C)cc1C)[C@@H]1CCOC1 ZINC000158736889 197298489 /nfs/dbraw/zinc/29/84/89/197298489.db2.gz IBFZFGFDTIWIEZ-CABCVRRESA-N 1 0 311.447 2.092 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000540937014 285141857 /nfs/dbraw/zinc/14/18/57/285141857.db2.gz MSMGMWHSBRKVNO-GOEBONIOSA-N 1 0 311.470 2.223 10 0 DEAERO COc1ccccc1N(CCC[NH3+])C(=O)NCC(F)(F)F ZINC000157958319 197230057 /nfs/dbraw/zinc/23/00/57/197230057.db2.gz BXUMCVGXBBHUEK-UHFFFAOYSA-N 1 0 305.300 2.122 10 0 DEAERO CCn1ncc(Br)c1[C@@H](O)[C@@](C)(CC)[NH+](C)C ZINC000157611861 197202182 /nfs/dbraw/zinc/20/21/82/197202182.db2.gz UAYRGPLNNQTYCB-VXGBXAGGSA-N 1 0 304.232 2.429 10 0 DEAERO Cc1cnc(-c2noc(-c3csc(CC[NH3+])n3)n2)c(C)c1 ZINC000157623776 197202857 /nfs/dbraw/zinc/20/28/57/197202857.db2.gz BLGUVEBDFHVBED-UHFFFAOYSA-N 1 0 301.375 2.373 10 0 DEAERO CC(C)C[NH2+]Cc1nnc(-n2ccc(C(F)(F)F)n2)s1 ZINC000157472304 197190212 /nfs/dbraw/zinc/19/02/12/197190212.db2.gz DSESBIHRECKDPK-UHFFFAOYSA-N 1 0 305.329 2.488 10 0 DEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)CCOC(C)C)NC(C)C ZINC000157508813 197193354 /nfs/dbraw/zinc/19/33/54/197193354.db2.gz LYXJRPVEWRAZIJ-MRXNPFEDSA-N 1 0 302.459 2.053 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000157432171 197187055 /nfs/dbraw/zinc/18/70/55/197187055.db2.gz FJGHGMPSIVHLKU-YJBOKZPZSA-N 1 0 323.481 2.196 10 0 DEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)CCOC(C)C)c1 ZINC000157293033 197177061 /nfs/dbraw/zinc/17/70/61/197177061.db2.gz BDNULORWRUEKIM-ZDUSSCGKSA-N 1 0 314.451 2.013 10 0 DEAERO CCCNc1[nH+]c(C)nc(NCC(C)(C)S(C)(=O)=O)c1C ZINC000157294556 197176889 /nfs/dbraw/zinc/17/68/89/197176889.db2.gz BSQLSXVSZULVHW-UHFFFAOYSA-N 1 0 314.455 2.150 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccsc3)CC2)CCO1 ZINC000157215107 197170930 /nfs/dbraw/zinc/17/09/30/197170930.db2.gz ZVBAOQCORRVROY-GFCCVEGCSA-N 1 0 309.435 2.465 10 0 DEAERO COc1ccc2[nH]cc(C3CCN(C(=O)[C@@H](C)[NH3+])CC3)c2c1 ZINC000157222347 197170721 /nfs/dbraw/zinc/17/07/21/197170721.db2.gz SNGWJQKTSJSGNB-LLVKDONJSA-N 1 0 301.390 2.230 10 0 DEAERO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H](C)CO)c1 ZINC000157178054 197168670 /nfs/dbraw/zinc/16/86/70/197168670.db2.gz YUMSKZYPDIIGOC-RWMBFGLXSA-N 1 0 324.421 2.027 10 0 DEAERO CCCNc1nnc(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)s1 ZINC000157056770 197159387 /nfs/dbraw/zinc/15/93/87/197159387.db2.gz UWHZFBBDZXPFRG-STQMWFEESA-N 1 0 309.483 2.419 10 0 DEAERO Cc1cc(OC[C@@H](O)C[NH2+]C2CC2)ccc1Br ZINC000157056109 197158490 /nfs/dbraw/zinc/15/84/90/197158490.db2.gz SHLRMGNKDWTRCV-NSHDSACASA-N 1 0 300.196 2.249 10 0 DEAERO CSc1nsc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000157049934 197158121 /nfs/dbraw/zinc/15/81/21/197158121.db2.gz YOWYYLISMNJBHV-IUCAKERBSA-N 1 0 315.468 2.110 10 0 DEAERO Cc1cc(Br)cn(CC[NH2+]Cc2ccco2)c1=O ZINC000156972010 197153417 /nfs/dbraw/zinc/15/34/17/197153417.db2.gz CDXUTZCLWNXJOU-UHFFFAOYSA-N 1 0 311.179 2.302 10 0 DEAERO C[C@](O)(Cc1cccc(Br)c1)C[C@H]1COCC[NH2+]1 ZINC000156888568 197147972 /nfs/dbraw/zinc/14/79/72/197147972.db2.gz OHBMVMQNZXJTAL-KBPBESRZSA-N 1 0 314.223 2.121 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000187819400 533145310 /nfs/dbraw/zinc/14/53/10/533145310.db2.gz NUGAGYZWHXFKDV-KBPBESRZSA-N 1 0 320.437 2.325 10 0 DEAERO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000156616650 197127536 /nfs/dbraw/zinc/12/75/36/197127536.db2.gz GHWJQTUXZKJACH-CABCVRRESA-N 1 0 319.453 2.095 10 0 DEAERO C[C@@H]1OCC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)[C@H]1C ZINC000156419113 197112174 /nfs/dbraw/zinc/11/21/74/197112174.db2.gz HFJJRGPMCJOWSL-XEZPLFJOSA-N 1 0 313.825 2.327 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000156148874 197089334 /nfs/dbraw/zinc/08/93/34/197089334.db2.gz SOOLDUARFSIPBT-GJZGRUSLSA-N 1 0 315.502 2.305 10 0 DEAERO COC(=O)C1(NC(=O)C[N@H+](C)C[C@H]2CC=CCC2)CCCCC1 ZINC000542255404 285215335 /nfs/dbraw/zinc/21/53/35/285215335.db2.gz YIXXXHDAXQCREK-HNNXBMFYSA-N 1 0 322.449 2.267 10 0 DEAERO CCC[NH2+]Cc1cc(CN2CCS(=O)CC2)c(C)s1 ZINC000156076868 197085110 /nfs/dbraw/zinc/08/51/10/197085110.db2.gz IEGYZIDHFHJRNO-UHFFFAOYSA-N 1 0 300.493 2.120 10 0 DEAERO CN1c2ccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2CCC1=O ZINC000156064455 197084680 /nfs/dbraw/zinc/08/46/80/197084680.db2.gz PSDVSGMDBNXODK-STQMWFEESA-N 1 0 301.390 2.052 10 0 DEAERO CCCN(C(=O)c1cccc(F)c1Br)C1C[NH2+]C1 ZINC000156007403 197080058 /nfs/dbraw/zinc/08/00/58/197080058.db2.gz UDRKARQKCIQSKW-UHFFFAOYSA-N 1 0 315.186 2.412 10 0 DEAERO [NH3+]Cc1ccc([C@@H](O)C[S@](=O)c2ccc(F)c(F)c2)cc1 ZINC000155991210 197079034 /nfs/dbraw/zinc/07/90/34/197079034.db2.gz AFWMODXZJWCLRR-YCRPNKLZSA-N 1 0 311.353 2.265 10 0 DEAERO C[C@@H]1CN(C(=O)c2cccc(F)c2Br)C[C@@H](C)[NH2+]1 ZINC000155993207 197079068 /nfs/dbraw/zinc/07/90/68/197079068.db2.gz MYWXJEWCQIQXSI-RKDXNWHRSA-N 1 0 315.186 2.411 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1C[NH3+])[S@@](=O)c1cccs1 ZINC000155970844 197078211 /nfs/dbraw/zinc/07/82/11/197078211.db2.gz WWWZUHBMIRATLO-FVINQWEUSA-N 1 0 308.428 2.342 10 0 DEAERO O=C(C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)NCc1ccc(Cl)cc1 ZINC000155567210 197067686 /nfs/dbraw/zinc/06/76/86/197067686.db2.gz AERIAHZCWFTELL-GDBMZVCRSA-N 1 0 322.836 2.457 10 0 DEAERO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000120354152 195149253 /nfs/dbraw/zinc/14/92/53/195149253.db2.gz DKQHTQLZHICHTC-RDBSUJKOSA-N 1 0 323.234 2.421 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1ccc(OC(F)F)cc1 ZINC000155436732 197055114 /nfs/dbraw/zinc/05/51/14/197055114.db2.gz BEYGMDITGXPATA-TXEJJXNPSA-N 1 0 312.360 2.382 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(N(C)C)cc2F)CC[N@@H+]1C ZINC000155088060 197020570 /nfs/dbraw/zinc/02/05/70/197020570.db2.gz CXRPTPNSADYDGT-JSGCOSHPSA-N 1 0 307.413 2.446 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000155024463 197014654 /nfs/dbraw/zinc/01/46/54/197014654.db2.gz RWEPTKFCDVDSHU-CHWSQXEVSA-N 1 0 315.417 2.200 10 0 DEAERO Cc1nocc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000294726776 224196157 /nfs/dbraw/zinc/19/61/57/224196157.db2.gz PTGFSIVOCPKSFN-UHFFFAOYSA-N 1 0 301.394 2.290 10 0 DEAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(OC(F)F)cc1 ZINC000120535525 195185484 /nfs/dbraw/zinc/18/54/84/195185484.db2.gz ZKHIYHHASCJLQZ-SNVBAGLBSA-N 1 0 313.348 2.482 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1C ZINC000120607492 195199750 /nfs/dbraw/zinc/19/97/50/195199750.db2.gz YOCMBFMCGPIZJV-HUUCEWRRSA-N 1 0 318.461 2.287 10 0 DEAERO CC(C)c1noc2ncc(C(=O)NCC3CC[NH2+]CC3)cc21 ZINC000120622750 195203480 /nfs/dbraw/zinc/20/34/80/195203480.db2.gz APNGTIPPMJFBGC-UHFFFAOYSA-N 1 0 302.378 2.076 10 0 DEAERO CC[C@H](C)C[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000120593850 195197124 /nfs/dbraw/zinc/19/71/24/195197124.db2.gz COPQHNAUIJJITR-DLBZAZTESA-N 1 0 306.450 2.090 10 0 DEAERO CCCN(CC[NH+](CC)CC)C(=O)c1ccc2nnn(C)c2c1 ZINC000120751325 195229893 /nfs/dbraw/zinc/22/98/93/195229893.db2.gz YNBWZVZKDXZPKU-UHFFFAOYSA-N 1 0 317.437 2.162 10 0 DEAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000120773179 195234710 /nfs/dbraw/zinc/23/47/10/195234710.db2.gz ZTPPHWVIMXCWBH-BZNIZROVSA-N 1 0 301.438 2.369 10 0 DEAERO CCC[C@H](C)CS(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151750294 196722350 /nfs/dbraw/zinc/72/23/50/196722350.db2.gz WXWWAXKFMRAEQE-NFOMZHRRSA-N 1 0 304.500 2.462 10 0 DEAERO c1cc2cc(-c3nc([C@H]4C[N@@H+]5CCC[C@H]5CO4)no3)cnc2cn1 ZINC000289603725 221096388 /nfs/dbraw/zinc/09/63/88/221096388.db2.gz HQGCPHSAWXQRMO-DZGCQCFKSA-N 1 0 323.356 2.216 10 0 DEAERO C1CC1c1nnsc1-c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000290001910 221371651 /nfs/dbraw/zinc/37/16/51/221371651.db2.gz ZVISMKWVEWSWLD-VHSXEESVSA-N 1 0 319.390 2.001 10 0 DEAERO COC[C@@H]1C[N@H+](C)C[C@]12CCN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000248136288 257108598 /nfs/dbraw/zinc/10/85/98/257108598.db2.gz OTXUGHFFAHLNTM-GUYCJALGSA-N 1 0 324.371 2.005 10 0 DEAERO CO[C@@H]1CCN(Cc2nc(C)cs2)[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000247979532 257112971 /nfs/dbraw/zinc/11/29/71/257112971.db2.gz WQFHZTGYKHVSTK-OWCLPIDISA-N 1 0 321.490 2.383 10 0 DEAERO O=C(c1ccco1)N1C[C@@H]2CCC[N@H+](CC3CCOCC3)[C@@H]2C1 ZINC000247945941 257113761 /nfs/dbraw/zinc/11/37/61/257113761.db2.gz QXAVGKNTRGHUGZ-JKSUJKDBSA-N 1 0 318.417 2.243 10 0 DEAERO Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC000247875530 257115667 /nfs/dbraw/zinc/11/56/67/257115667.db2.gz OBIDYKBGQUVPGX-QZTJIDSGSA-N 1 0 322.412 2.160 10 0 DEAERO c1cncc(CO[C@@H]2CC[C@@H]3[C@H]2OCC[N@@H+]3C2CCOCC2)c1 ZINC000247813484 257117221 /nfs/dbraw/zinc/11/72/21/257117221.db2.gz DYCUDVPTZGCWAP-KZNAEPCWSA-N 1 0 318.417 2.009 10 0 DEAERO Cc1cc(C(=O)N2C[C@@H]3OC[C@@H](C[NH+]4CCCC4)[C@@H]3C2)c(C)o1 ZINC000247820375 257117528 /nfs/dbraw/zinc/11/75/28/257117528.db2.gz GIFANTIDSYLENG-PVAVHDDUSA-N 1 0 318.417 2.079 10 0 DEAERO O=C(NC[C@@H]1OC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]12)C1CC1 ZINC000247434664 257119182 /nfs/dbraw/zinc/11/91/82/257119182.db2.gz VMKDMTGNZRCFDV-BZSNNMDCSA-N 1 0 314.429 2.050 10 0 DEAERO Cc1ccoc1C(=O)N1CC[C@@H]2[C@@H]1CCN2Cc1ccccn1 ZINC000253478850 257105143 /nfs/dbraw/zinc/10/51/43/257105143.db2.gz NJVANYFJEFBSER-CVEARBPZSA-N 1 0 311.385 2.472 10 0 DEAERO Fc1cccnc1OC[C@]12COC[C@@H]1C[N@H+](Cc1ccoc1)C2 ZINC000503715290 257210475 /nfs/dbraw/zinc/21/04/75/257210475.db2.gz DWRHHCIHHZBNJH-YOEHRIQHSA-N 1 0 318.348 2.341 10 0 DEAERO COC(=O)[C@H](C)C[N@H+](CCC(=O)NC(C)C)Cc1ccccc1 ZINC000121102889 195293740 /nfs/dbraw/zinc/29/37/40/195293740.db2.gz PCCQKZKFNILJIF-OAHLLOKOSA-N 1 0 320.433 2.212 10 0 DEAERO CC[C@@H]1N[C@@H](c2cccs2)N(CC2CC[NH+](C)CC2)C1=O ZINC000122004581 195388783 /nfs/dbraw/zinc/38/87/83/195388783.db2.gz GKIRXBSJPFQTET-DZGCQCFKSA-N 1 0 307.463 2.299 10 0 DEAERO Cc1cc(C[C@@H](C)[NH3+])nc(-c2ccc(Br)cn2)n1 ZINC000122044069 195393808 /nfs/dbraw/zinc/39/38/08/195393808.db2.gz SMAJMFROGIGDKM-MRVPVSSYSA-N 1 0 307.195 2.499 10 0 DEAERO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(S(N)(=O)=O)cc1 ZINC000122067913 195397041 /nfs/dbraw/zinc/39/70/41/195397041.db2.gz XKYAMGUAXVSJDC-BXUZGUMPSA-N 1 0 314.476 2.270 10 0 DEAERO C[C@H]1C[C@@H](Nc2ccccc2NS(C)(=O)=O)C[N@@H+]1C1CC1 ZINC000122906888 195518348 /nfs/dbraw/zinc/51/83/48/195518348.db2.gz AOSWLNKULZMIPG-NWDGAFQWSA-N 1 0 309.435 2.095 10 0 DEAERO C[C@@H]1C[C@@H](Nc2ccccc2NS(C)(=O)=O)C[N@@H+]1C1CC1 ZINC000122906667 195519408 /nfs/dbraw/zinc/51/94/08/195519408.db2.gz AOSWLNKULZMIPG-VXGBXAGGSA-N 1 0 309.435 2.095 10 0 DEAERO CCNc1ncc(C(=O)NC2CCC(C[NH+](C)C)CC2)s1 ZINC000124309482 195627190 /nfs/dbraw/zinc/62/71/90/195627190.db2.gz CLGDVZKSLNDOHU-UHFFFAOYSA-N 1 0 310.467 2.425 10 0 DEAERO [NH3+][C@H](CCNS(=O)(=O)c1cccc(F)c1)c1ccccc1 ZINC000124593075 195658129 /nfs/dbraw/zinc/65/81/29/195658129.db2.gz ULWQRGVXEDKATA-OAHLLOKOSA-N 1 0 308.378 2.194 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)[C@@H]1COc2ccccc21 ZINC000125026022 195704847 /nfs/dbraw/zinc/70/48/47/195704847.db2.gz QYOABIAYOIQPKK-HUUCEWRRSA-N 1 0 311.447 2.356 10 0 DEAERO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)C1 ZINC000127017077 195847972 /nfs/dbraw/zinc/84/79/72/195847972.db2.gz VQUREQMDTLDTEI-GFCCVEGCSA-N 1 0 315.377 2.152 10 0 DEAERO COCCOCCOCCO[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000127118956 195850916 /nfs/dbraw/zinc/85/09/16/195850916.db2.gz OXCMHIKSUHFZML-HNNXBMFYSA-N 1 0 305.459 2.095 10 0 DEAERO COC[C@@H](C)C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000189824273 335063467 /nfs/dbraw/zinc/06/34/67/335063467.db2.gz ZEFYNRDNDNYNOZ-AWEZNQCLSA-N 1 0 324.490 2.401 10 0 DEAERO COc1cccc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000121528948 132156090 /nfs/dbraw/zinc/15/60/90/132156090.db2.gz JRXWJBVFOXBPAA-LBPRGKRZSA-N 1 0 320.414 2.193 10 0 DEAERO CCCN(C1CC[NH2+]CC1)S(=O)(=O)CCCC(F)(F)F ZINC000213864235 132550111 /nfs/dbraw/zinc/55/01/11/132550111.db2.gz UCOMBRSJDZNMDO-UHFFFAOYSA-N 1 0 316.389 2.123 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(/C=C/Sc2ccccc2)n1 ZINC000263306149 132581456 /nfs/dbraw/zinc/58/14/56/132581456.db2.gz XXEFDEIQNPLBGN-RSPDNQDQSA-N 1 0 302.403 2.409 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC000263314714 132582146 /nfs/dbraw/zinc/58/21/46/132582146.db2.gz ZIAFMXAONAANBI-GIPNMCIBSA-N 1 0 320.343 2.195 10 0 DEAERO CC(C)CC(=O)Nc1ncc(CN2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725273005 542770963 /nfs/dbraw/zinc/77/09/63/542770963.db2.gz XDKQFWKXAYEYBX-DGCLKSJQSA-N 1 0 310.467 2.297 10 0 DEAERO C[C@@H]1OCC[C@@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000355848209 133052316 /nfs/dbraw/zinc/05/23/16/133052316.db2.gz CMHVBOPIBQPZNY-YOEHRIQHSA-N 1 0 302.418 2.192 10 0 DEAERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357877355 133106904 /nfs/dbraw/zinc/10/69/04/133106904.db2.gz ZGIRCEAMDCJSMN-ZFWWWQNUSA-N 1 0 315.421 2.235 10 0 DEAERO COc1cc(C)ccc1CNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358168598 133125347 /nfs/dbraw/zinc/12/53/47/133125347.db2.gz OJZPEFMVCDDIJQ-UHFFFAOYSA-N 1 0 317.433 2.455 10 0 DEAERO CC1=CCN(CC[NH2+]Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000358170285 133125712 /nfs/dbraw/zinc/12/57/12/133125712.db2.gz QWDXJFCFBVGQEQ-UHFFFAOYSA-N 1 0 311.433 2.224 10 0 DEAERO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000358191855 133127307 /nfs/dbraw/zinc/12/73/07/133127307.db2.gz PDLHMOPHUMYSBQ-QZTJIDSGSA-N 1 0 314.429 2.352 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CCC(=O)CC1 ZINC000360330300 133176224 /nfs/dbraw/zinc/17/62/24/133176224.db2.gz WVCNXVZYWGDVFX-RDTXWAMCSA-N 1 0 314.429 2.382 10 0 DEAERO Cc1scc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1C ZINC000362032069 133206479 /nfs/dbraw/zinc/20/64/79/133206479.db2.gz IEFYPMSOGHNIRJ-AWEZNQCLSA-N 1 0 308.447 2.348 10 0 DEAERO C[C@H]1CCOCC[N@@H+]1CC(=O)N(C)CCCOc1ccccc1 ZINC000362235049 133219031 /nfs/dbraw/zinc/21/90/31/133219031.db2.gz JUGOVERLUXSKRS-INIZCTEOSA-N 1 0 320.433 2.025 10 0 DEAERO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N1CCc2ccccc21 ZINC000362493551 133233714 /nfs/dbraw/zinc/23/37/14/133233714.db2.gz XDPYWGGHHPOIEZ-HNNXBMFYSA-N 1 0 315.461 2.286 10 0 DEAERO c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cnc([C@H]3CCCO3)s1)CC2 ZINC000368258168 133266718 /nfs/dbraw/zinc/26/67/18/133266718.db2.gz IYHMZRVRQWUCRA-IINYFYTJSA-N 1 0 304.419 2.365 10 0 DEAERO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC23CCC3)cc1 ZINC000373095791 133377690 /nfs/dbraw/zinc/37/76/90/133377690.db2.gz AEFGKQKGCBKLLN-UHFFFAOYSA-N 1 0 301.390 2.133 10 0 DEAERO Brc1cncc(CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563136693 292033781 /nfs/dbraw/zinc/03/37/81/292033781.db2.gz JEXWHSKESUPMGI-CQSZACIVSA-N 1 0 310.239 2.420 10 0 DEAERO COC(C)(C)C[C@@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000074736049 292062301 /nfs/dbraw/zinc/06/23/01/292062301.db2.gz JZZTWGBBMVCZFD-CQSZACIVSA-N 1 0 311.470 2.460 10 0 DEAERO C([C@H]1CCN(c2nnc(C3CCOCC3)s2)C1)[NH+]1CCCC1 ZINC000338673447 404472471 /nfs/dbraw/zinc/47/24/71/404472471.db2.gz QNVLTOOHDNRYDP-CYBMUJFWSA-N 1 0 322.478 2.354 10 0 DEAERO c1cnc2c(c1)nccc2N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000563977669 292082919 /nfs/dbraw/zinc/08/29/19/292082919.db2.gz MZTXKSDGQZWEDO-RHSMWYFYSA-N 1 0 312.417 2.107 10 0 DEAERO Cc1cc(N2CCN3CCOC[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000371800852 404474046 /nfs/dbraw/zinc/47/40/46/404474046.db2.gz DAOHJZZTINZDQY-CQSZACIVSA-N 1 0 301.365 2.203 10 0 DEAERO CCOc1ccccc1CCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000113458559 144635048 /nfs/dbraw/zinc/63/50/48/144635048.db2.gz MAHDQIQPQKCDAA-HNNXBMFYSA-N 1 0 304.434 2.428 10 0 DEAERO C[C@H](CC[NH2+]Cc1cncc(Br)c1)[S@@](C)=O ZINC000166506255 144803523 /nfs/dbraw/zinc/80/35/23/144803523.db2.gz PLSSCEYHKHGREX-ABKXIKBNSA-N 1 0 305.241 2.091 10 0 DEAERO CCOC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)C2CCCC2)CC1 ZINC000172169565 144815871 /nfs/dbraw/zinc/81/58/71/144815871.db2.gz GHUKRJRGKCJLDQ-KBPBESRZSA-N 1 0 324.465 2.345 10 0 DEAERO CCC(=O)c1cccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000181246063 144902239 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C[N@@H+]1CC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]1c1ccccc1 ZINC000248083848 145147977 /nfs/dbraw/zinc/14/79/77/145147977.db2.gz SJJFSCBEECCNBQ-WMLDXEAASA-N 1 0 310.401 2.462 10 0 DEAERO Cc1ccsc1CNC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248140269 145148554 /nfs/dbraw/zinc/14/85/54/145148554.db2.gz PPEOOUYUIYYFOU-GJZGRUSLSA-N 1 0 321.490 2.089 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4c(s3)CCOC4)CC[C@H]21 ZINC000248131072 145148736 /nfs/dbraw/zinc/14/87/36/145148736.db2.gz OLMOTLMAFVSASX-GXTWGEPZSA-N 1 0 320.458 2.377 10 0 DEAERO C(c1nnc(C2CC2)n1C1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000248385007 145152568 /nfs/dbraw/zinc/15/25/68/145152568.db2.gz GWFGWONOYDVDRT-OAHLLOKOSA-N 1 0 301.438 2.161 10 0 DEAERO Cc1cnc([C@@H](C)CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC000248428127 145154941 /nfs/dbraw/zinc/15/49/41/145154941.db2.gz ONXFQJTZTSJOQD-JSGCOSHPSA-N 1 0 322.478 2.435 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cc(F)ccc1OC ZINC000248476624 145156652 /nfs/dbraw/zinc/15/66/52/145156652.db2.gz NXPIXLSQEKPUEO-CVEARBPZSA-N 1 0 320.408 2.462 10 0 DEAERO CC(C)CCC[C@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248561785 145158448 /nfs/dbraw/zinc/15/84/48/145158448.db2.gz AYRGUKIKOROACC-XHSDSOJGSA-N 1 0 313.486 2.298 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)CCc3ccccc3)[C@H]2C1 ZINC000248564085 145158857 /nfs/dbraw/zinc/15/88/57/145158857.db2.gz KFBICOVQQYDEEV-RDGPPVDQSA-N 1 0 319.445 2.248 10 0 DEAERO CCn1cc([C@@H]2CN(C[C@@H](O)c3ccc(F)cc3)CCO2)cn1 ZINC000248825673 145169274 /nfs/dbraw/zinc/16/92/74/145169274.db2.gz XECOLTMAXCUOER-SJORKVTESA-N 1 0 319.380 2.149 10 0 DEAERO CCOC1CC(CCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)C1 ZINC000248883231 145172091 /nfs/dbraw/zinc/17/20/91/145172091.db2.gz GSOSJWDTPMMALM-GMRIPVOYSA-N 1 0 323.481 2.460 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1C ZINC000248883772 145172311 /nfs/dbraw/zinc/17/23/11/145172311.db2.gz DODHYHKVUOBSCZ-IUODEOHRSA-N 1 0 315.417 2.262 10 0 DEAERO O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000248902786 145172730 /nfs/dbraw/zinc/17/27/30/145172730.db2.gz LFFOJPDEFVOUGB-HZPDHXFCSA-N 1 0 318.465 2.345 10 0 DEAERO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000248892626 145172792 /nfs/dbraw/zinc/17/27/92/145172792.db2.gz SMLZVYLNRJWBJW-SJLPKXTDSA-N 1 0 323.396 2.488 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nccc(OC)c1OC ZINC000249046512 145176928 /nfs/dbraw/zinc/17/69/28/145176928.db2.gz HKOBBROTSNNUOC-KGLIPLIRSA-N 1 0 305.422 2.157 10 0 DEAERO CC[C@](C)(O)C[N@H+]1C[C@@H](c2ccccc2)C[C@H](C(=O)OC)C1 ZINC000249075998 145177383 /nfs/dbraw/zinc/17/73/83/145177383.db2.gz BCAHYTYMRXIZBA-BQFCYCMXSA-N 1 0 305.418 2.426 10 0 DEAERO O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000249099008 145179200 /nfs/dbraw/zinc/17/92/00/145179200.db2.gz PDSRLNRFRQVRFU-UKRRQHHQSA-N 1 0 321.371 2.402 10 0 DEAERO CO[C@@H]1C[N@H+](Cc2ccccc2N2CCOCC2)CC[C@@H]1C ZINC000249126538 145179602 /nfs/dbraw/zinc/17/96/02/145179602.db2.gz CJYFHESYZPNIKO-MAUKXSAKSA-N 1 0 304.434 2.380 10 0 DEAERO C[C@]1(CNC(=O)[C@H]2CCCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000249435965 145184423 /nfs/dbraw/zinc/18/44/23/145184423.db2.gz IPHGQEOUUVGYJG-SJLPKXTDSA-N 1 0 302.418 2.336 10 0 DEAERO Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249544627 145186202 /nfs/dbraw/zinc/18/62/02/145186202.db2.gz FXDXKBKUPMDWRD-GOEBONIOSA-N 1 0 305.447 2.306 10 0 DEAERO CCC[C@H](C(=O)OCC)[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249556690 145187058 /nfs/dbraw/zinc/18/70/58/145187058.db2.gz KAKDIPHVRZYSOQ-RRFJBIMHSA-N 1 0 311.447 2.488 10 0 DEAERO C[C@H](C(=O)NCc1cccnc1N(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249763375 145189724 /nfs/dbraw/zinc/18/97/24/145189724.db2.gz XYJPIEUFHKLRFM-HZSPNIEDSA-N 1 0 304.438 2.025 10 0 DEAERO Cc1nccn1C[C@H](C)CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000249838923 145190986 /nfs/dbraw/zinc/19/09/86/145190986.db2.gz UMFBKHNMZYDPEX-HUUCEWRRSA-N 1 0 321.469 2.001 10 0 DEAERO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C)[C@H](OC)C2)cc1 ZINC000251525251 145194680 /nfs/dbraw/zinc/19/46/80/145194680.db2.gz CXJNBHQYNJDMIG-WMLDXEAASA-N 1 0 320.433 2.010 10 0 DEAERO COc1cccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](OC)C2)c1 ZINC000251994443 145197587 /nfs/dbraw/zinc/19/75/87/145197587.db2.gz WEUUPQNBIIPJGQ-GRDNDAEWSA-N 1 0 320.433 2.057 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000261538138 145206566 /nfs/dbraw/zinc/20/65/66/145206566.db2.gz FSKVRFNVRUUHSC-GOSISDBHSA-N 1 0 323.440 2.425 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000261563641 145207449 /nfs/dbraw/zinc/20/74/49/145207449.db2.gz BIOIZWBZHPKGEG-NSHDSACASA-N 1 0 302.465 2.058 10 0 DEAERO COc1ccc(-c2noc(CN3CC[C@H](C)C[C@@H]3C[NH3+])n2)cc1 ZINC000261608608 145209567 /nfs/dbraw/zinc/20/95/67/145209567.db2.gz ASGGYCRFBNTLCW-GXTWGEPZSA-N 1 0 316.405 2.304 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C12CC3CC(CC(C3)C1)C2 ZINC000261619958 145211484 /nfs/dbraw/zinc/21/14/84/145211484.db2.gz CCWWSNAGFFBZPA-BMWZALNASA-N 1 0 306.450 2.214 10 0 DEAERO C/C=C/c1ccc(OCC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(OC)c1 ZINC000261624877 145211768 /nfs/dbraw/zinc/21/17/68/145211768.db2.gz CHMWUYQNSBAHPZ-SDCXRFKSSA-N 1 0 318.417 2.303 10 0 DEAERO Cc1cnc(-c2cccc(NC(=O)[C@@H]([NH3+])C3CCOCC3)c2)o1 ZINC000261627027 145212048 /nfs/dbraw/zinc/21/20/48/145212048.db2.gz CQAUBAYTFREOCT-HNNXBMFYSA-N 1 0 315.373 2.342 10 0 DEAERO COc1ccc(OCCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261668661 145214908 /nfs/dbraw/zinc/21/49/08/145214908.db2.gz ACJGFAXKTTVFFT-HNNXBMFYSA-N 1 0 306.406 2.050 10 0 DEAERO COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261668480 145214974 /nfs/dbraw/zinc/21/49/74/145214974.db2.gz FWKQPXOPZVUUKU-XQLPTFJDSA-N 1 0 310.438 2.132 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CCOc1ccccc1 ZINC000261675596 145215705 /nfs/dbraw/zinc/21/57/05/145215705.db2.gz CEPOKLLQPRAVIP-FLOBVVSRSA-N 1 0 302.418 2.478 10 0 DEAERO CCc1ccc(CN(C)C(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261692977 145217482 /nfs/dbraw/zinc/21/74/82/145217482.db2.gz KVIQCQDYWRGFPA-QGZVFWFLSA-N 1 0 317.477 2.267 10 0 DEAERO CC1(C)CN(C(=O)CCc2nc3ccccc3[nH]2)CC[C@@H]1[NH3+] ZINC000261695857 145218018 /nfs/dbraw/zinc/21/80/18/145218018.db2.gz BDXHZDCELUBVDK-AWEZNQCLSA-N 1 0 300.406 2.081 10 0 DEAERO Cc1ccc(O[C@H](C)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000261712299 145218869 /nfs/dbraw/zinc/21/88/69/145218869.db2.gz GHETYNPNRCFNTQ-OAGGEKHMSA-N 1 0 302.418 2.220 10 0 DEAERO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000261720370 145219751 /nfs/dbraw/zinc/21/97/51/145219751.db2.gz JFUJRLSRAYWQQS-WPVXRUBYSA-N 1 0 320.477 2.461 10 0 DEAERO C[C@@H]([NH3+])CC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000261771323 145223947 /nfs/dbraw/zinc/22/39/47/145223947.db2.gz IUNPJMURVFVIED-MRVPVSSYSA-N 1 0 318.204 2.128 10 0 DEAERO C[C@]1(CN2CCN(Cc3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000261765568 145224143 /nfs/dbraw/zinc/22/41/43/145224143.db2.gz LVBJEMFTEFAIFW-KRWDZBQOSA-N 1 0 307.869 2.457 10 0 DEAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1nc(C)ccc1O ZINC000261769444 145224377 /nfs/dbraw/zinc/22/43/77/145224377.db2.gz RYWKGXMYWAWFBW-INIZCTEOSA-N 1 0 313.401 2.251 10 0 DEAERO Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C[C@H](C)[NH3+])cc1 ZINC000261788229 145226704 /nfs/dbraw/zinc/22/67/04/145226704.db2.gz KBKNURBOJNVLJG-DZGCQCFKSA-N 1 0 306.406 2.231 10 0 DEAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000261808554 145228977 /nfs/dbraw/zinc/22/89/77/145228977.db2.gz MJVPOXYVODLKCF-WDEREUQCSA-N 1 0 310.344 2.123 10 0 DEAERO [NH3+][C@@H](C(=O)NCCc1csc2ccccc12)C1CCOCC1 ZINC000261813646 145229222 /nfs/dbraw/zinc/22/92/22/145229222.db2.gz OXUHVMQSZHNVDN-MRXNPFEDSA-N 1 0 318.442 2.314 10 0 DEAERO Cc1ccc(CNC(=O)[C@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828755 145230936 /nfs/dbraw/zinc/23/09/36/145230936.db2.gz YNNCOBDBWCEATP-GOEBONIOSA-N 1 0 303.450 2.059 10 0 DEAERO C[C@@H]1CCCN1C(=O)CCN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261829092 145231471 /nfs/dbraw/zinc/23/14/71/145231471.db2.gz SUNKJJFFLQRJML-RHSMWYFYSA-N 1 0 319.424 2.173 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000261852703 145233618 /nfs/dbraw/zinc/23/36/18/145233618.db2.gz QGYNMKBEBDPCQL-AWEZNQCLSA-N 1 0 306.454 2.203 10 0 DEAERO O=C(c1sccc1OC(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261861947 145234281 /nfs/dbraw/zinc/23/42/81/145234281.db2.gz RJRPXBWXYGRLDY-AOOOYVTPSA-N 1 0 316.373 2.421 10 0 DEAERO C[C@H](Oc1ccccc1F)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261857211 145234359 /nfs/dbraw/zinc/23/43/59/145234359.db2.gz RCHYXAYEINUDKF-MELADBBJSA-N 1 0 306.381 2.051 10 0 DEAERO C[C@H]1CCN(c2cc(C(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)ccn2)C1 ZINC000261857646 145234980 /nfs/dbraw/zinc/23/49/80/145234980.db2.gz MXNJWOMILQIKID-DZGCQCFKSA-N 1 0 316.449 2.127 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261868052 145235636 /nfs/dbraw/zinc/23/56/36/145235636.db2.gz SAZVAMIIFCEMBQ-BBRMVZONSA-N 1 0 320.481 2.284 10 0 DEAERO CC(C)n1cc2cc(NC(=O)[C@H]([NH3+])C3CCOCC3)ccc2n1 ZINC000261869831 145235992 /nfs/dbraw/zinc/23/59/92/145235992.db2.gz SUUOITFOOBSBHA-MRXNPFEDSA-N 1 0 316.405 2.310 10 0 DEAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(F)cc1Cl ZINC000261894240 145238686 /nfs/dbraw/zinc/23/86/86/145238686.db2.gz QVUKMBKQOBIYQK-SECBINFHSA-N 1 0 300.761 2.164 10 0 DEAERO COC(=O)c1cc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc(C)c1C ZINC000261901555 145239654 /nfs/dbraw/zinc/23/96/54/145239654.db2.gz ZBHRQVCADXKQKN-CYBMUJFWSA-N 1 0 304.390 2.418 10 0 DEAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ccccc1C(F)(F)F ZINC000261925554 145242894 /nfs/dbraw/zinc/24/28/94/145242894.db2.gz VRBIITVXEFCFAJ-SNVBAGLBSA-N 1 0 316.323 2.391 10 0 DEAERO CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1ccc(C)cc1 ZINC000261930901 145243133 /nfs/dbraw/zinc/24/31/33/145243133.db2.gz LRJSHHWJZZIQTR-SJORKVTESA-N 1 0 312.417 2.085 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000261933627 145244080 /nfs/dbraw/zinc/24/40/80/145244080.db2.gz LRUIBBGPTOFZRT-BBWFWOEESA-N 1 0 302.418 2.316 10 0 DEAERO C/C=C/c1ccc(OCC(=O)N2CC[C@](C)(C[NH3+])C2)c(OC)c1 ZINC000261938728 145244847 /nfs/dbraw/zinc/24/48/47/145244847.db2.gz JFCBMJGZUWZEFW-SHCNBLLESA-N 1 0 318.417 2.304 10 0 DEAERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c(C)c1O ZINC000261944483 145245017 /nfs/dbraw/zinc/24/50/17/145245017.db2.gz VGPMDZOMPXEPFP-CDHAZOANSA-N 1 0 318.417 2.480 10 0 DEAERO C[C@@]1(C[NH3+])CCN(C(=O)CSc2ccc3c(c2)CCC3)C1 ZINC000261953126 145246399 /nfs/dbraw/zinc/24/63/99/145246399.db2.gz KFNQONNOQITOBD-KRWDZBQOSA-N 1 0 304.459 2.465 10 0 DEAERO C[C@H](NC(=O)CN1CCC[C@@H](C)[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000261959624 145246908 /nfs/dbraw/zinc/24/69/08/145246908.db2.gz ONDUXGVMNBWYOV-WWGRRREGSA-N 1 0 307.413 2.062 10 0 DEAERO Cc1nc2ccccc2n1CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261968984 145247917 /nfs/dbraw/zinc/24/79/17/145247917.db2.gz YSAQAZXRFLLOMW-MRXNPFEDSA-N 1 0 314.433 2.239 10 0 DEAERO c1nc(-c2ccncc2)sc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261962642 145247995 /nfs/dbraw/zinc/24/79/95/145247995.db2.gz HKWIQOSSPAFSTH-INIZCTEOSA-N 1 0 300.431 2.391 10 0 DEAERO Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261974399 145248701 /nfs/dbraw/zinc/24/87/01/145248701.db2.gz QZFNQEPUPVPZLX-KSZLIROESA-N 1 0 304.434 2.121 10 0 DEAERO Cc1nn(C)c(C)c1CCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261980388 145249128 /nfs/dbraw/zinc/24/91/28/145249128.db2.gz JEGASBKRMOENNM-UHFFFAOYSA-N 1 0 311.389 2.331 10 0 DEAERO CCC(=O)N(C)c1ccccc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262022292 145253719 /nfs/dbraw/zinc/25/37/19/145253719.db2.gz OUXBFXVWHJEONT-OAHLLOKOSA-N 1 0 317.433 2.259 10 0 DEAERO CC(C)C[C@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262025998 145254367 /nfs/dbraw/zinc/25/43/67/145254367.db2.gz XCIRCCQXRDAKQJ-OIISXLGYSA-N 1 0 318.465 2.008 10 0 DEAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000262051100 145257084 /nfs/dbraw/zinc/25/70/84/145257084.db2.gz CVGZCIALDOLPIX-SNVBAGLBSA-N 1 0 316.323 2.391 10 0 DEAERO CSc1cc2c(cc1CN1CC[C@@]3(CC[NH2+]C3)C1)OCCO2 ZINC000262097124 145261606 /nfs/dbraw/zinc/26/16/06/145261606.db2.gz VHPMVCIXUNQXEN-QGZVFWFLSA-N 1 0 320.458 2.365 10 0 DEAERO COc1ccccc1OCCN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262151893 145265910 /nfs/dbraw/zinc/26/59/10/145265910.db2.gz GBPQOMSFYBQGNA-INIZCTEOSA-N 1 0 313.401 2.116 10 0 DEAERO Cc1ccc(OC2CCN(C(=O)[C@@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000262228892 145270836 /nfs/dbraw/zinc/27/08/36/145270836.db2.gz QASUFTZVETZUHL-AWEZNQCLSA-N 1 0 302.418 2.220 10 0 DEAERO CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262274569 145272851 /nfs/dbraw/zinc/27/28/51/145272851.db2.gz NHVMTWCTXAWMDF-PQEBFOHHSA-N 1 0 318.465 2.150 10 0 DEAERO C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000262312658 145276085 /nfs/dbraw/zinc/27/60/85/145276085.db2.gz PZYFPBRJAJEBAN-ZWNOBZJWSA-N 1 0 316.323 2.261 10 0 DEAERO CC[NH2+][C@H](C)CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000262333889 145277395 /nfs/dbraw/zinc/27/73/95/145277395.db2.gz FVPMRYNFFBVGAQ-YWPYICTPSA-N 1 0 303.406 2.009 10 0 DEAERO [NH3+]CC1(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000262416145 145282999 /nfs/dbraw/zinc/28/29/99/145282999.db2.gz ZSEKVZFQLGQWCQ-NWDGAFQWSA-N 1 0 322.371 2.227 10 0 DEAERO C[C@H]1C[C@@H](C(=O)NC[C@H](O)c2cc3ccccc3s2)CC[NH2+]1 ZINC000262444695 145284191 /nfs/dbraw/zinc/28/41/91/145284191.db2.gz TZXDTAJMMRNDGO-UBHSHLNASA-N 1 0 318.442 2.439 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1cccc(F)c1F ZINC000262505704 145288906 /nfs/dbraw/zinc/28/89/06/145288906.db2.gz MKMUOXCVWOPJPC-LQBHMHGISA-N 1 0 310.344 2.436 10 0 DEAERO CCc1nc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)sc1C ZINC000262575855 145294499 /nfs/dbraw/zinc/29/44/99/145294499.db2.gz YDGADXMJSPVYBM-KNHMANMVSA-N 1 0 323.462 2.485 10 0 DEAERO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000262626976 145297160 /nfs/dbraw/zinc/29/71/60/145297160.db2.gz LPHURHHZXCHCGY-VXGBXAGGSA-N 1 0 306.410 2.026 10 0 DEAERO COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000262690799 145299661 /nfs/dbraw/zinc/29/96/61/145299661.db2.gz AGGYHKLSMCLDFN-JKSUJKDBSA-N 1 0 324.465 2.394 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262683468 145300206 /nfs/dbraw/zinc/30/02/06/145300206.db2.gz WYQDBZZQAGVQJO-SJCJKPOMSA-N 1 0 314.433 2.093 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CC[NH2+]1 ZINC000262932367 145312174 /nfs/dbraw/zinc/31/21/74/145312174.db2.gz SWTMMHPDSFYUDV-DGCLKSJQSA-N 1 0 318.808 2.396 10 0 DEAERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC1=[NH+]CCCN1)O[C@H](C)C2 ZINC000263161805 145330872 /nfs/dbraw/zinc/33/08/72/145330872.db2.gz OYFANDHFXHNUEB-ZLDLUXBVSA-N 1 0 315.417 2.204 10 0 DEAERO CC[C@H](C)Oc1ccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263185050 145333607 /nfs/dbraw/zinc/33/36/07/145333607.db2.gz HGDQXUBQUOYBPJ-SWLSCSKDSA-N 1 0 316.405 2.490 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2CO)CC1 ZINC000304626632 145340055 /nfs/dbraw/zinc/34/00/55/145340055.db2.gz NAUGEMGPLGGMSX-DZGCQCFKSA-N 1 0 311.470 2.100 10 0 DEAERO CC(=O)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309812885 145350370 /nfs/dbraw/zinc/35/03/70/145350370.db2.gz XBMHPRCTAJRZST-RCCFBDPRSA-N 1 0 314.429 2.382 10 0 DEAERO O[C@@H]1[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCC12CCOCC2 ZINC000328749517 296574464 /nfs/dbraw/zinc/57/44/64/296574464.db2.gz MIHAUMJRTXXYDP-UTSKFRMZSA-N 1 0 321.461 2.101 10 0 DEAERO COc1cc([C@@H](C)[NH2+]CCCCS(C)(=O)=O)ccc1F ZINC000341872190 145515362 /nfs/dbraw/zinc/51/53/62/145515362.db2.gz UXQRPYNOKLPKIU-LLVKDONJSA-N 1 0 303.399 2.310 10 0 DEAERO c1ccc([C@@H]([NH2+]CCCN2CCOCC2)[C@H]2CCOC2)cc1 ZINC000341878086 145516507 /nfs/dbraw/zinc/51/65/07/145516507.db2.gz QJAXHRHWHLDARB-ZWKOTPCHSA-N 1 0 304.434 2.076 10 0 DEAERO CN(CC1(O)CCCCCC1)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000342112190 145559709 /nfs/dbraw/zinc/55/97/09/145559709.db2.gz OBDSIPWNTQAERT-HUUCEWRRSA-N 1 0 311.470 2.196 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000186671765 296581871 /nfs/dbraw/zinc/58/18/71/296581871.db2.gz KJSSZHHEZJHQKN-RISCZKNCSA-N 1 0 304.438 2.243 10 0 DEAERO COCCC1(C)CN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000358470847 147141019 /nfs/dbraw/zinc/14/10/19/147141019.db2.gz UGFOTPHRAVRHJZ-UHFFFAOYSA-N 1 0 319.449 2.316 10 0 DEAERO C[C@H]1C[NH+](Cc2ccc(-c3nc(N(C)C)no3)cc2)C[C@H](C)O1 ZINC000358580132 147159529 /nfs/dbraw/zinc/15/95/29/147159529.db2.gz PUXLSOCRCWAUEZ-STQMWFEESA-N 1 0 316.405 2.412 10 0 DEAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360711872 147372203 /nfs/dbraw/zinc/37/22/03/147372203.db2.gz GQPGQQPTDBDDOM-ZDUSSCGKSA-N 1 0 315.421 2.046 10 0 DEAERO Cc1ccnc([C@H](NC(=O)CC2CC[NH+](C)CC2)C2CC2)n1 ZINC000362994819 147611055 /nfs/dbraw/zinc/61/10/55/147611055.db2.gz ZUOBNTWNVILJNI-MRXNPFEDSA-N 1 0 302.422 2.084 10 0 DEAERO CC(=O)c1ccc(CC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000371245065 148076994 /nfs/dbraw/zinc/07/69/94/148076994.db2.gz SFZSYFWESDEFED-ROUUACIJSA-N 1 0 314.429 2.422 10 0 DEAERO O=C(c1ccnc2ccncc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000372325369 148194592 /nfs/dbraw/zinc/19/45/92/148194592.db2.gz KWLGUSYXGPDCAR-CQSZACIVSA-N 1 0 310.401 2.188 10 0 DEAERO COCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000374230950 148221050 /nfs/dbraw/zinc/22/10/50/148221050.db2.gz OLNKXLSUAVSEEG-OKYOBFRVSA-N 1 0 318.461 2.169 10 0 DEAERO CCn1cc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cn1 ZINC000374789990 148290027 /nfs/dbraw/zinc/29/00/27/148290027.db2.gz ASMWFMOAJPSUHE-DZKIICNBSA-N 1 0 307.438 2.121 10 0 DEAERO COc1cccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)n1 ZINC000375401341 148366775 /nfs/dbraw/zinc/36/67/75/148366775.db2.gz HKUXXJXHKBTUGI-GFCCVEGCSA-N 1 0 300.362 2.340 10 0 DEAERO Cc1cc(=O)[nH]c(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000408396761 148599406 /nfs/dbraw/zinc/59/94/06/148599406.db2.gz QLCSAAUVQWKPDB-UHFFFAOYSA-N 1 0 303.406 2.186 10 0 DEAERO Cc1ccc([C@@H](C[NH2+][C@H]2CCCSC2)N2CCOCC2)o1 ZINC000195558451 292202772 /nfs/dbraw/zinc/20/27/72/292202772.db2.gz OHNUVOWZEHQQLX-LSDHHAIUSA-N 1 0 310.463 2.447 10 0 DEAERO C[NH+](C)C1CCN([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000111683629 401720674 /nfs/dbraw/zinc/72/06/74/401720674.db2.gz BUMQGSISYFJLHY-INIZCTEOSA-N 1 0 321.852 2.471 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCc2occc21 ZINC000111824222 401724879 /nfs/dbraw/zinc/72/48/79/401724879.db2.gz VSNRFQAHQRPFPZ-DZGCQCFKSA-N 1 0 321.421 2.067 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCc3ccccc32)C1 ZINC000111836862 401725509 /nfs/dbraw/zinc/72/55/09/401725509.db2.gz PXLAMAVLMFGKST-JKSUJKDBSA-N 1 0 301.434 2.500 10 0 DEAERO CC(C)COC1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000127322654 401729155 /nfs/dbraw/zinc/72/91/55/401729155.db2.gz PCZLBUMIWYBKBY-CABCVRRESA-N 1 0 323.481 2.458 10 0 DEAERO COc1ccc(C[NH2+]CCCn2ccnn2)c(Cl)c1OC ZINC000126444327 401694440 /nfs/dbraw/zinc/69/44/40/401694440.db2.gz VZAGGKCDHLYDGP-UHFFFAOYSA-N 1 0 310.785 2.129 10 0 DEAERO CCC[C@H](C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1)[NH+](C)C ZINC000126546090 401698947 /nfs/dbraw/zinc/69/89/47/401698947.db2.gz IGQUVRAVARLAIC-XJKSGUPXSA-N 1 0 315.421 2.175 10 0 DEAERO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000111229136 401701935 /nfs/dbraw/zinc/70/19/35/401701935.db2.gz GEHAOFQRPUSERQ-AWEZNQCLSA-N 1 0 323.400 2.032 10 0 DEAERO O=C(CN1CCCC[C@@H]1CCO)NCc1ccc(Cl)s1 ZINC000111240296 401703189 /nfs/dbraw/zinc/70/31/89/401703189.db2.gz TXZPYUAIWJPEMN-LLVKDONJSA-N 1 0 316.854 2.255 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000126731728 401706275 /nfs/dbraw/zinc/70/62/75/401706275.db2.gz KWOCMUOAFTUUGF-GOEBONIOSA-N 1 0 323.437 2.339 10 0 DEAERO COc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2ccccc2OC)cc1 ZINC000008037208 401747810 /nfs/dbraw/zinc/74/78/10/401747810.db2.gz DXJRROCFZXDXQQ-INIZCTEOSA-N 1 0 321.398 2.178 10 0 DEAERO C[C@@H](C1CC1)N(C(=O)NCCCC[NH+]1CCOCC1)C1CC1 ZINC000073676413 401719750 /nfs/dbraw/zinc/71/97/50/401719750.db2.gz QBFPMLKXPBKABO-AWEZNQCLSA-N 1 0 309.454 2.071 10 0 DEAERO CC(C)C[C@H](CNC(=O)[C@@H]1CCCN1c1nccs1)[NH+](C)C ZINC000114376560 401797619 /nfs/dbraw/zinc/79/76/19/401797619.db2.gz WSRJDCFERSKARR-KGLIPLIRSA-N 1 0 324.494 2.204 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)c2cc(C(C)=O)cn2C)CC1 ZINC000129150799 401799417 /nfs/dbraw/zinc/79/94/17/401799417.db2.gz BXNIGLOWDHEZRL-UHFFFAOYSA-N 1 0 305.422 2.080 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114526803 401802755 /nfs/dbraw/zinc/80/27/55/401802755.db2.gz IXIOUYLZXXQZQW-KRWDZBQOSA-N 1 0 309.454 2.097 10 0 DEAERO CCC(=O)N1CCCC[C@@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129869283 401809927 /nfs/dbraw/zinc/80/99/27/401809927.db2.gz NBTXPUHMRUPPNI-UYSNPLJNSA-N 1 0 323.481 2.014 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1C ZINC000113223523 401770403 /nfs/dbraw/zinc/77/04/03/401770403.db2.gz ALTVEQVMPLTLHN-HZMBPMFUSA-N 1 0 303.406 2.143 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(-c2ccncc2)on1 ZINC000113222644 401770505 /nfs/dbraw/zinc/77/05/05/401770505.db2.gz AVWHASIPSBEUDO-TZMCWYRMSA-N 1 0 312.373 2.045 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000113226672 401770627 /nfs/dbraw/zinc/77/06/27/401770627.db2.gz HWVXFQFXFUZTFP-ZYHUDNBSSA-N 1 0 322.792 2.377 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCn1cnc2ccccc21 ZINC000113226586 401770851 /nfs/dbraw/zinc/77/08/51/401770851.db2.gz CNLHNOJEOOECRD-LSDHHAIUSA-N 1 0 312.417 2.122 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2oc1=O ZINC000113232229 401771332 /nfs/dbraw/zinc/77/13/32/401771332.db2.gz QHBBHUBUAWZFOU-GXTWGEPZSA-N 1 0 312.369 2.102 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(s1)CCOC2 ZINC000113231176 401771908 /nfs/dbraw/zinc/77/19/08/401771908.db2.gz FOFZDCFQSQQFFS-DGCLKSJQSA-N 1 0 306.431 2.130 10 0 DEAERO COC(=O)c1cccc(OCCN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113270727 401773686 /nfs/dbraw/zinc/77/36/86/401773686.db2.gz DCISYXCWIRYVSQ-GDBMZVCRSA-N 1 0 318.417 2.021 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nccn1CC(F)(F)F ZINC000113266978 401773950 /nfs/dbraw/zinc/77/39/50/401773950.db2.gz GKCMTYXGSCHMNB-NWDGAFQWSA-N 1 0 302.344 2.114 10 0 DEAERO COc1cccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000075968740 401775334 /nfs/dbraw/zinc/77/53/34/401775334.db2.gz BHEAARFQALRIFA-QGZVFWFLSA-N 1 0 304.434 2.382 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000075961501 401775364 /nfs/dbraw/zinc/77/53/64/401775364.db2.gz OFNWHDCSSRNMRX-AWEZNQCLSA-N 1 0 300.805 2.368 10 0 DEAERO O[C@]12CCCC[C@@H]1CN(Cc1nc(-c3ccco3)no1)CC2 ZINC000128447468 401777379 /nfs/dbraw/zinc/77/73/79/401777379.db2.gz BTXJCDAEGNFFMH-WBMJQRKESA-N 1 0 303.362 2.457 10 0 DEAERO [NH3+]CCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 ZINC000011849338 401777513 /nfs/dbraw/zinc/77/75/13/401777513.db2.gz KIQACHIYKJFHJN-UHFFFAOYSA-N 1 0 324.833 2.320 10 0 DEAERO COc1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)c(OC)c1 ZINC000011961976 401778265 /nfs/dbraw/zinc/77/82/65/401778265.db2.gz UNQBSQWBESHHDI-AWEZNQCLSA-N 1 0 300.358 2.212 10 0 DEAERO COCC[NH2+]CC[C@@H]1CCC(=O)N1CCCc1ccccc1 ZINC000012041488 401778829 /nfs/dbraw/zinc/77/88/29/401778829.db2.gz ROOSNAODNHDJHW-KRWDZBQOSA-N 1 0 304.434 2.236 10 0 DEAERO COc1cccc(OC)c1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113444725 401779192 /nfs/dbraw/zinc/77/91/92/401779192.db2.gz OXGYDRANCFTGSF-CHWSQXEVSA-N 1 0 304.390 2.013 10 0 DEAERO CNC(=O)c1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000113931393 401787365 /nfs/dbraw/zinc/78/73/65/401787365.db2.gz ZYKOFGZCHXTGGY-MRXNPFEDSA-N 1 0 324.428 2.375 10 0 DEAERO Cn1c(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)nnc1C1CC1 ZINC000128785660 401791844 /nfs/dbraw/zinc/79/18/44/401791844.db2.gz UJAXRAMZNJLYEY-ZIAGYGMSSA-N 1 0 300.410 2.163 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c(C)noc2C)[C@H](C)C1 ZINC000076479043 401795873 /nfs/dbraw/zinc/79/58/73/401795873.db2.gz DCAMRJAVHBWHMR-WBMJQRKESA-N 1 0 307.438 2.413 10 0 DEAERO CCC1(CNC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000079129270 401870624 /nfs/dbraw/zinc/87/06/24/401870624.db2.gz YAVBBAKVSNUCCU-AWEZNQCLSA-N 1 0 309.454 2.071 10 0 DEAERO COc1cccc(F)c1[C@H](C)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000130160108 401820345 /nfs/dbraw/zinc/82/03/45/401820345.db2.gz HBXBQKNMCULUGK-QWHCGFSZSA-N 1 0 323.412 2.488 10 0 DEAERO CCCN(CC[NH+](CC)CC)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000130222945 401823323 /nfs/dbraw/zinc/82/33/23/401823323.db2.gz ACBGPLVWYSIQEK-AWEZNQCLSA-N 1 0 306.454 2.410 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)[C@H](C)C1 ZINC000130257168 401824950 /nfs/dbraw/zinc/82/49/50/401824950.db2.gz ZFKHLWHHPCBGOW-WWGRRREGSA-N 1 0 321.469 2.021 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)CSc2ccncc2)CC1 ZINC000130425181 401831456 /nfs/dbraw/zinc/83/14/56/401831456.db2.gz GJBWDZIKLFGWBI-UHFFFAOYSA-N 1 0 307.463 2.410 10 0 DEAERO CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077809100 401832709 /nfs/dbraw/zinc/83/27/09/401832709.db2.gz ZDTIBBYDZHWERD-HOTGVXAUSA-N 1 0 313.486 2.349 10 0 DEAERO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CCCO1 ZINC000077839668 401834712 /nfs/dbraw/zinc/83/47/12/401834712.db2.gz MQBKEYKDIBUSNP-XJKSGUPXSA-N 1 0 305.422 2.115 10 0 DEAERO CCN(C)C(=O)CC[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000130647456 401836449 /nfs/dbraw/zinc/83/64/49/401836449.db2.gz QFRUQJUWBSOQIR-AWEZNQCLSA-N 1 0 320.433 2.362 10 0 DEAERO CCNC(=O)CC[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000025926942 401838009 /nfs/dbraw/zinc/83/80/09/401838009.db2.gz FSMUXXZSCZSBBA-HNNXBMFYSA-N 1 0 306.406 2.367 10 0 DEAERO COc1ccccc1NC(=O)CN1CC[NH+](C2CCCC2)CC1 ZINC000027118197 401844120 /nfs/dbraw/zinc/84/41/20/401844120.db2.gz YIQMDOKGNSCOAK-UHFFFAOYSA-N 1 0 317.433 2.194 10 0 DEAERO CC(C)[C@@H](CNc1cncc(OCCO)n1)[NH+]1CCC(C)CC1 ZINC000131343831 401848302 /nfs/dbraw/zinc/84/83/02/401848302.db2.gz FGVMXGIVOJVPFS-OAHLLOKOSA-N 1 0 322.453 2.016 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CSCc1cscn1 ZINC000131491502 401851826 /nfs/dbraw/zinc/85/18/26/401851826.db2.gz MOECFZDCTYGFPK-ZDUSSCGKSA-N 1 0 313.492 2.319 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CSC)cc1 ZINC000078541234 401855172 /nfs/dbraw/zinc/85/51/72/401855172.db2.gz ISPANPFGEBSCMZ-UHFFFAOYSA-N 1 0 323.462 2.060 10 0 DEAERO CCCCOc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116788496 401859020 /nfs/dbraw/zinc/85/90/20/401859020.db2.gz JHJWABUXVYBMJE-KRWDZBQOSA-N 1 0 320.433 2.268 10 0 DEAERO Cc1[nH]c2ccc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc2c1C ZINC000116788132 401859086 /nfs/dbraw/zinc/85/90/86/401859086.db2.gz RRSRHOOGDAGXOW-OAHLLOKOSA-N 1 0 315.417 2.187 10 0 DEAERO CSc1ccc(C)c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000116797671 401859706 /nfs/dbraw/zinc/85/97/06/401859706.db2.gz QZVGHNRYBZDKCO-CYBMUJFWSA-N 1 0 308.447 2.120 10 0 DEAERO C/C(=C/C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1cccc(F)c1 ZINC000116797067 401860031 /nfs/dbraw/zinc/86/00/31/401860031.db2.gz CUEYGTAANHYLHC-RCBBPTIPSA-N 1 0 306.381 2.018 10 0 DEAERO Cc1cccc([C@H](C)NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000117052182 401867606 /nfs/dbraw/zinc/86/76/06/401867606.db2.gz JUYQILAJYXFOEY-JKSUJKDBSA-N 1 0 319.449 2.336 10 0 DEAERO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117045667 401867777 /nfs/dbraw/zinc/86/77/77/401867777.db2.gz ZQUOHACUABOASH-BZUAXINKSA-N 1 0 311.470 2.173 10 0 DEAERO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCCC1(C)C ZINC000077382557 401812898 /nfs/dbraw/zinc/81/28/98/401812898.db2.gz AIPIYYOKRGVHIW-UHFFFAOYSA-N 1 0 317.433 2.178 10 0 DEAERO C[C@H]1COC[C@H](C)[NH+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000077370881 401812960 /nfs/dbraw/zinc/81/29/60/401812960.db2.gz KJAWFMIDOKBTPF-KBPBESRZSA-N 1 0 316.401 2.172 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CC1CCOCC1 ZINC000117241383 401870358 /nfs/dbraw/zinc/87/03/58/401870358.db2.gz RDZMCOZVWRBKNQ-KRWDZBQOSA-N 1 0 304.434 2.092 10 0 DEAERO CCC[C@H](C(=O)NCCCOc1ccc(OC)cc1)[NH+](C)C ZINC000119081836 401924493 /nfs/dbraw/zinc/92/44/93/401924493.db2.gz UFPGRHYTEQYQEE-MRXNPFEDSA-N 1 0 308.422 2.311 10 0 DEAERO C[C@H]([NH2+]CC(C)(C)O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000087010925 401925960 /nfs/dbraw/zinc/92/59/60/401925960.db2.gz CSWOUEHJEALCBG-QWHCGFSZSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)N(C)c1ccccc1 ZINC000135080069 401926109 /nfs/dbraw/zinc/92/61/09/401926109.db2.gz BMRNRVPGJUEDHB-DOTOQJQBSA-N 1 0 301.434 2.208 10 0 DEAERO COCCN1CC[N@H+](CCCc2cccc(OC)c2)C[C@@H]1C ZINC000119157932 401929756 /nfs/dbraw/zinc/92/97/56/401929756.db2.gz PVSKEAJLAYWHOM-INIZCTEOSA-N 1 0 306.450 2.280 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135229630 401931317 /nfs/dbraw/zinc/93/13/17/401931317.db2.gz KSEMINFWWXTQOP-SJORKVTESA-N 1 0 318.417 2.167 10 0 DEAERO CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(Cl)s1 ZINC000119183173 401931460 /nfs/dbraw/zinc/93/14/60/401931460.db2.gz KCBNQSHHCNRLSL-LLVKDONJSA-N 1 0 316.854 2.253 10 0 DEAERO C[C@@H](CCC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000133316573 401881911 /nfs/dbraw/zinc/88/19/11/401881911.db2.gz JHKYUFGXXWPIJT-DOTOQJQBSA-N 1 0 304.434 2.359 10 0 DEAERO COC[C@](C)(CCO)[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000079920978 401883600 /nfs/dbraw/zinc/88/36/00/401883600.db2.gz KSTCTJPNVAPLSX-KRWDZBQOSA-N 1 0 319.405 2.046 10 0 DEAERO C[C@H](CNC(=O)[C@@H]1Oc2ccccc2[C@@H]1C)C[NH+]1CCCC1 ZINC000117759823 401883715 /nfs/dbraw/zinc/88/37/15/401883715.db2.gz OHXXHPGSHQPTLY-JKIFEVAISA-N 1 0 302.418 2.399 10 0 DEAERO C[C@@H](Cc1ccc(O)cc1)[NH2+]CC(=O)c1cc(O)cc(O)c1 ZINC000033505756 401891420 /nfs/dbraw/zinc/89/14/20/401891420.db2.gz IFNGKZSCMSNIPZ-NSHDSACASA-N 1 0 301.342 2.207 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)Cc1ccccc1Cl ZINC000036076814 401901690 /nfs/dbraw/zinc/90/16/90/401901690.db2.gz JSKMOCAZKYOJKC-GFCCVEGCSA-N 1 0 318.870 2.490 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2cc(F)ccc2Br)CCC1=O ZINC000084087131 401901912 /nfs/dbraw/zinc/90/19/12/401901912.db2.gz FBLXRVSCZBVQHO-NSHDSACASA-N 1 0 315.186 2.299 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000085407874 401915840 /nfs/dbraw/zinc/91/58/40/401915840.db2.gz GIFGDSNGSOYUPV-GJZGRUSLSA-N 1 0 321.469 2.021 10 0 DEAERO CCSCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085824097 401919266 /nfs/dbraw/zinc/91/92/66/401919266.db2.gz NTCYDBLUFUYTIB-KGLIPLIRSA-N 1 0 322.540 2.122 10 0 DEAERO CCC(CC)C[N@H+](CC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085797959 401919290 /nfs/dbraw/zinc/91/92/90/401919290.db2.gz VNBGTCGWVIRQSS-OAHLLOKOSA-N 1 0 304.500 2.416 10 0 DEAERO C[NH+](C)C1CCN(C(=O)Cc2cc(F)c(F)cc2F)CC1 ZINC000134946883 401921524 /nfs/dbraw/zinc/92/15/24/401921524.db2.gz YAAISGZOUGVVRL-UHFFFAOYSA-N 1 0 300.324 2.199 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)c2nc3ccccc3[nH]2)CC1 ZINC000134951499 401921575 /nfs/dbraw/zinc/92/15/75/401921575.db2.gz WZBMTMCFGCZTIK-CYBMUJFWSA-N 1 0 302.422 2.092 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)CC/C=C/c2ccccc2)CCO1 ZINC000119051364 401921961 /nfs/dbraw/zinc/92/19/61/401921961.db2.gz BSSOSNQIKOOPCX-DKISHCGFSA-N 1 0 302.418 2.269 10 0 DEAERO CCN(C[C@H]1CCCO1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119072629 401924069 /nfs/dbraw/zinc/92/40/69/401924069.db2.gz NUZAPUBTKPJYDO-UYSNPLJNSA-N 1 0 311.470 2.317 10 0 DEAERO COCC[N@H+](C)CCNc1nccc(OCc2ccccc2)n1 ZINC000089596204 401953443 /nfs/dbraw/zinc/95/34/43/401953443.db2.gz SRDRIMYQIJESPL-UHFFFAOYSA-N 1 0 316.405 2.046 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](OC)c1ccccc1 ZINC000045578024 401959451 /nfs/dbraw/zinc/95/94/51/401959451.db2.gz GFQJHRKLNGSHME-GDBMZVCRSA-N 1 0 307.438 2.404 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCc1cc2ccccc2o1 ZINC000119733678 401965094 /nfs/dbraw/zinc/96/50/94/401965094.db2.gz GRXJUEKCBBADBN-AWEZNQCLSA-N 1 0 301.390 2.369 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)Nc1ccc(F)cc1F ZINC000046750405 401972288 /nfs/dbraw/zinc/97/22/88/401972288.db2.gz CCQRXSCXRVVXQH-UHFFFAOYSA-N 1 0 313.348 2.199 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)CC(C)(C)CC(=O)OC)CC1 ZINC000136763112 401973665 /nfs/dbraw/zinc/97/36/65/401973665.db2.gz FPOFSPNHEONUHN-UHFFFAOYSA-N 1 0 312.454 2.204 10 0 DEAERO CCc1nccn1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000136813956 401974409 /nfs/dbraw/zinc/97/44/09/401974409.db2.gz GJPYWWXKNDWPIB-INIZCTEOSA-N 1 0 318.465 2.341 10 0 DEAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccccc2)CC1 ZINC000047270976 401980374 /nfs/dbraw/zinc/98/03/74/401980374.db2.gz QYDULXKWAYYQTO-HNNXBMFYSA-N 1 0 304.438 2.082 10 0 DEAERO Cc1nc(C)c(CCNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000120198499 401981681 /nfs/dbraw/zinc/98/16/81/401981681.db2.gz CQBMCHIVYAJYPZ-FZMZJTMJSA-N 1 0 324.494 2.330 10 0 DEAERO CCc1ncsc1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000137343228 401982298 /nfs/dbraw/zinc/98/22/98/401982298.db2.gz SQEBXWMTYPQLIF-UHFFFAOYSA-N 1 0 316.430 2.499 10 0 DEAERO COC[C@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)C(C)C ZINC000090938699 401989505 /nfs/dbraw/zinc/98/95/05/401989505.db2.gz OIDXAJUKWUXIGM-BBRMVZONSA-N 1 0 303.406 2.046 10 0 DEAERO O=C(CCOCc1ccccc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000148886774 401992110 /nfs/dbraw/zinc/99/21/10/401992110.db2.gz IKGCSYWWXDDIMX-UHFFFAOYSA-N 1 0 302.418 2.290 10 0 DEAERO CCOC[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC000364356861 286137629 /nfs/dbraw/zinc/13/76/29/286137629.db2.gz QVPGNINBLXLGRW-WTXIUTQJSA-N 1 0 311.470 2.362 10 0 DEAERO Cc1noc(CC[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)n1 ZINC000089517866 401950510 /nfs/dbraw/zinc/95/05/10/401950510.db2.gz UUKLPSROWHYPTC-LBPRGKRZSA-N 1 0 314.389 2.398 10 0 DEAERO COc1ccccc1/C=C/C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000121026076 402011416 /nfs/dbraw/zinc/01/14/16/402011416.db2.gz SSJUCUIROSFXSB-UKINESCASA-N 1 0 302.418 2.115 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)O1 ZINC000151044571 402012752 /nfs/dbraw/zinc/01/27/52/402012752.db2.gz PHJBILORVRZZPF-CJNGLKHVSA-N 1 0 308.397 2.283 10 0 DEAERO COc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1F ZINC000151272739 402026959 /nfs/dbraw/zinc/02/69/59/402026959.db2.gz AZAIPVBRJRFXKG-HIFRSBDPSA-N 1 0 310.413 2.332 10 0 DEAERO CCN(C[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1)CC(F)(F)F ZINC000121422899 402034945 /nfs/dbraw/zinc/03/49/45/402034945.db2.gz LSRMXCXLMRLMES-UWVGGRQHSA-N 1 0 322.293 2.116 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CSCc1ccncc1 ZINC000120815451 402003526 /nfs/dbraw/zinc/00/35/26/402003526.db2.gz QYMFCEXZULSGLH-CQSZACIVSA-N 1 0 307.463 2.305 10 0 DEAERO Cc1ccsc1CNC(=O)CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000121985175 402058546 /nfs/dbraw/zinc/05/85/46/402058546.db2.gz XELDMDAQFNODSG-UONOGXRCSA-N 1 0 308.447 2.316 10 0 DEAERO Cc1cccc(CNC(=O)NCC[N@@H+](C)Cc2ccccc2)n1 ZINC000054761077 402071163 /nfs/dbraw/zinc/07/11/63/402071163.db2.gz LGGJMXGKYNQMLL-UHFFFAOYSA-N 1 0 312.417 2.321 10 0 DEAERO CC[C@H](C)OCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000152038891 402072469 /nfs/dbraw/zinc/07/24/69/402072469.db2.gz VBIOFEXHGKULEC-ZOBUZTSGSA-N 1 0 319.449 2.223 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000097254925 402120114 /nfs/dbraw/zinc/12/01/14/402120114.db2.gz QYDXQFGXLMAZQF-XJKSGUPXSA-N 1 0 315.417 2.059 10 0 DEAERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1c[nH]c(=O)cc1C ZINC000122694052 402090838 /nfs/dbraw/zinc/09/08/38/402090838.db2.gz JTRFIDOBENSPSL-UHFFFAOYSA-N 1 0 307.438 2.123 10 0 DEAERO C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)C1CCOCC1 ZINC000122781812 402093976 /nfs/dbraw/zinc/09/39/76/402093976.db2.gz LDQHZWJBNITNDX-HLIUYOAVSA-N 1 0 311.470 2.221 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000152513043 402099166 /nfs/dbraw/zinc/09/91/66/402099166.db2.gz RDQDGIOYIHJAML-IRXDYDNUSA-N 1 0 301.434 2.401 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N1CCc2ccc(F)cc21 ZINC000060546239 402105487 /nfs/dbraw/zinc/10/54/87/402105487.db2.gz PLTNATSGFWHOIP-UHFFFAOYSA-N 1 0 321.396 2.010 10 0 DEAERO CC(C)[C@@H](O)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000152767859 402107534 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O=C(C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)N1CCc2sccc2C1 ZINC000153144484 402129699 /nfs/dbraw/zinc/12/96/99/402129699.db2.gz GZMFKSZNLPLGAK-UKRRQHHQSA-N 1 0 320.458 2.134 10 0 DEAERO O=C(C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)N1CCc2sccc2C1 ZINC000153144601 402129804 /nfs/dbraw/zinc/12/98/04/402129804.db2.gz GZMFKSZNLPLGAK-HIFRSBDPSA-N 1 0 320.458 2.134 10 0 DEAERO c1ccc(OC2CC[NH+](CCCN3CCOCC3)CC2)cc1 ZINC000097727571 402131498 /nfs/dbraw/zinc/13/14/98/402131498.db2.gz DIESQUFVBBDVAU-UHFFFAOYSA-N 1 0 304.434 2.252 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000123684363 402141468 /nfs/dbraw/zinc/14/14/68/402141468.db2.gz JGFSYOUENCSDSY-HOCLYGCPSA-N 1 0 306.454 2.442 10 0 DEAERO C[C@@H]([NH2+]CCc1ccccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000123752550 402144499 /nfs/dbraw/zinc/14/44/99/402144499.db2.gz AKNFYDNSPHINES-GFCCVEGCSA-N 1 0 322.405 2.366 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)Nc2cc(F)ccc2F)CC[N@@H+]1C ZINC000123810163 402147467 /nfs/dbraw/zinc/14/74/67/402147467.db2.gz 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MKYRSROJPTURKX-LSDHHAIUSA-N 1 0 311.470 2.460 10 0 DEAERO CCOc1ncccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000177027927 402360542 /nfs/dbraw/zinc/36/05/42/402360542.db2.gz CZVVZFMYPDXAKF-JSGCOSHPSA-N 1 0 306.410 2.331 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1ccc(F)cc1 ZINC000177024733 402360707 /nfs/dbraw/zinc/36/07/07/402360707.db2.gz USLQHNAUWHOSIQ-MRXNPFEDSA-N 1 0 307.413 2.494 10 0 DEAERO CC(C)C[C@H](C)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000185549105 402360885 /nfs/dbraw/zinc/36/08/85/402360885.db2.gz ODGVDZOYDCBVLM-AWEZNQCLSA-N 1 0 307.438 2.320 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCOc1cccc(C)c1 ZINC000177025110 402361121 /nfs/dbraw/zinc/36/11/21/402361121.db2.gz NCVOCQRWOZWNRM-INIZCTEOSA-N 1 0 319.449 2.500 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC000177058961 402365610 /nfs/dbraw/zinc/36/56/10/402365610.db2.gz NAHTWISZCHQUTL-BMFZPTHFSA-N 1 0 302.418 2.083 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000177061485 402365731 /nfs/dbraw/zinc/36/57/31/402365731.db2.gz DSGSXLXIXVRPMP-ZFWWWQNUSA-N 1 0 318.417 2.306 10 0 DEAERO COc1cc(C)c(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1OC ZINC000186526189 286204962 /nfs/dbraw/zinc/20/49/62/286204962.db2.gz ZAYCKJYTXSXEJZ-CYBMUJFWSA-N 1 0 318.417 2.369 10 0 DEAERO C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000177228770 402383193 /nfs/dbraw/zinc/38/31/93/402383193.db2.gz DCWFHFBOYQRIEU-PBHICJAKSA-N 1 0 324.852 2.371 10 0 DEAERO Cc1cccc(C[NH+]2CCN(C[C@H](O)C(F)(F)F)CC2)c1 ZINC000185144225 402328575 /nfs/dbraw/zinc/32/85/75/402328575.db2.gz ZQUREQCBKPNLGR-AWEZNQCLSA-N 1 0 302.340 2.036 10 0 DEAERO CN(C)c1noc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000185257259 402339293 /nfs/dbraw/zinc/33/92/93/402339293.db2.gz GPSDJTCPOQCMTK-OAHLLOKOSA-N 1 0 321.469 2.224 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(OCC(=O)OC)cc1C)[NH+](C)C ZINC000161695645 402396507 /nfs/dbraw/zinc/39/65/07/402396507.db2.gz PMQLSTAIEVLZMA-HNNXBMFYSA-N 1 0 322.405 2.216 10 0 DEAERO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000177413814 402399923 /nfs/dbraw/zinc/39/99/23/402399923.db2.gz CQGOOKHAMKBPTM-CHWSQXEVSA-N 1 0 306.406 2.364 10 0 DEAERO CN(C(=O)c1cc(=O)[nH]c2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237223656 402399953 /nfs/dbraw/zinc/39/99/53/402399953.db2.gz JSMBSTSTSCDNOY-FUNVUKJBSA-N 1 0 311.385 2.295 10 0 DEAERO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000177413777 402400053 /nfs/dbraw/zinc/40/00/53/402400053.db2.gz CQGOOKHAMKBPTM-QWHCGFSZSA-N 1 0 306.406 2.364 10 0 DEAERO COc1ccc(CN(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1O ZINC000237278360 402401632 /nfs/dbraw/zinc/40/16/32/402401632.db2.gz UPQIJCXBOALMDR-ILXRZTDVSA-N 1 0 318.417 2.280 10 0 DEAERO CCC[C@@H](C(=O)N1CCO[C@H](c2ccccc2F)C1)[NH+](C)C ZINC000161968804 402405314 /nfs/dbraw/zinc/40/53/14/402405314.db2.gz BUNOYVOIFNNCTH-HOTGVXAUSA-N 1 0 308.397 2.456 10 0 DEAERO CCOC(=O)c1nn(C)cc1C[N@H+](C)CCc1ccc(F)cc1 ZINC000186193113 402409210 /nfs/dbraw/zinc/40/92/10/402409210.db2.gz AILIJPROBIROAR-UHFFFAOYSA-N 1 0 319.380 2.410 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C12CCOCC2 ZINC000186203818 402410381 /nfs/dbraw/zinc/41/03/81/402410381.db2.gz VVMHGXSETIEGIB-BHYGNILZSA-N 1 0 322.449 2.446 10 0 DEAERO CC1(C)[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)[C@H]2CCO[C@@H]21 ZINC000186210642 402410632 /nfs/dbraw/zinc/41/06/32/402410632.db2.gz RGEASEOVDYMELY-XOUADPBQSA-N 1 0 321.442 2.308 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1ccc(C)nc1 ZINC000177506147 402410656 /nfs/dbraw/zinc/41/06/56/402410656.db2.gz LEOLTHMMIYTWAZ-INIZCTEOSA-N 1 0 304.438 2.058 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000186225751 402412780 /nfs/dbraw/zinc/41/27/80/402412780.db2.gz HTVDMMMZJAXPNA-ULQDDVLXSA-N 1 0 321.465 2.236 10 0 DEAERO CCc1cnc(CCNC(=O)N(C)C[C@H]2CCC[N@H+]2CC)s1 ZINC000177556432 402415795 /nfs/dbraw/zinc/41/57/95/402415795.db2.gz KCHVAVLSYWHPNE-CYBMUJFWSA-N 1 0 324.494 2.374 10 0 DEAERO Cc1ccc(Cl)cc1N1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000163482966 402450856 /nfs/dbraw/zinc/45/08/56/402450856.db2.gz FZEKSACSSUTCJT-HNNXBMFYSA-N 1 0 321.852 2.439 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(CCSCc2ccccc2)CC1 ZINC000186421630 402430349 /nfs/dbraw/zinc/43/03/49/402430349.db2.gz RRMUUGQTTBOXAG-QGZVFWFLSA-N 1 0 308.491 2.308 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C12CCOCC2 ZINC000186428423 402430777 /nfs/dbraw/zinc/43/07/77/402430777.db2.gz QNPYWGJQZNNZOG-FGTMMUONSA-N 1 0 319.445 2.154 10 0 DEAERO Cc1ccc(CNC(=O)[C@@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000177767411 402434328 /nfs/dbraw/zinc/43/43/28/402434328.db2.gz UUBZXDGDNXAATK-SJLPKXTDSA-N 1 0 315.461 2.170 10 0 DEAERO C[C@@H](C(=O)NCC1CCCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177778021 402435448 /nfs/dbraw/zinc/43/54/48/402435448.db2.gz UGDLXUXBWBHPJJ-DOTOQJQBSA-N 1 0 307.482 2.242 10 0 DEAERO C[C@H](C(=O)Nc1c(F)cccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177780406 402436036 /nfs/dbraw/zinc/43/60/36/402436036.db2.gz YNTIRSFDFZOFBA-CHWSQXEVSA-N 1 0 323.387 2.462 10 0 DEAERO CC[N@H+](C)Cc1cccc(CNC(=O)NCC2(CCO)CC2)c1 ZINC000186651370 402451662 /nfs/dbraw/zinc/45/16/62/402451662.db2.gz VPDZUXJCEFPUIH-UHFFFAOYSA-N 1 0 319.449 2.100 10 0 DEAERO COc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1OC ZINC000186540740 402440198 /nfs/dbraw/zinc/44/01/98/402440198.db2.gz LPZXNPXZWILPTQ-CYBMUJFWSA-N 1 0 304.390 2.060 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000237063389 402393855 /nfs/dbraw/zinc/39/38/55/402393855.db2.gz DQHHMXOHJGMRIN-GFCCVEGCSA-N 1 0 315.373 2.146 10 0 DEAERO COc1ccc([C@H](C)CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246108273 402510635 /nfs/dbraw/zinc/51/06/35/402510635.db2.gz BRGQQHPIHYECBT-ZBFHGGJFSA-N 1 0 302.418 2.495 10 0 DEAERO CC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CC[C@H]1c1ccccc1 ZINC000245411206 402458131 /nfs/dbraw/zinc/45/81/31/402458131.db2.gz VUNQGHVRFSUACA-GDBMZVCRSA-N 1 0 315.417 2.054 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245422390 402458627 /nfs/dbraw/zinc/45/86/27/402458627.db2.gz IRPPYUQMFCEVRR-XJKSGUPXSA-N 1 0 307.413 2.426 10 0 DEAERO C[C@@H]1CCN(c2ccccc2S(=O)(=O)C(F)F)C[C@@H]1C[NH3+] ZINC000164014191 402459891 /nfs/dbraw/zinc/45/98/91/402459891.db2.gz SXPAHOHOLXJISF-MNOVXSKESA-N 1 0 318.389 2.104 10 0 DEAERO CC(=O)c1c[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000245434883 402460704 /nfs/dbraw/zinc/46/07/04/402460704.db2.gz COMZWAYNNCVJJB-CABCVRRESA-N 1 0 303.406 2.305 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)onc2-c2ccccn2)C1 ZINC000178106308 402461172 /nfs/dbraw/zinc/46/11/72/402461172.db2.gz KBJOZGJZJHOGNN-ZDUSSCGKSA-N 1 0 314.389 2.259 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000245467870 402464137 /nfs/dbraw/zinc/46/41/37/402464137.db2.gz KGDFCSPPYOOFSY-IAGOWNOFSA-N 1 0 324.513 2.233 10 0 DEAERO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000245480619 402464869 /nfs/dbraw/zinc/46/48/69/402464869.db2.gz XLVVJOXSZNCLJO-CABCVRRESA-N 1 0 304.438 2.071 10 0 DEAERO Cc1noc([C@@H]2CCC[N@H+](C[C@@](C)(O)c3ccccc3)C2)n1 ZINC000246166230 402514560 /nfs/dbraw/zinc/51/45/60/402514560.db2.gz BJZUDDIHMQQKIX-RHSMWYFYSA-N 1 0 301.390 2.465 10 0 DEAERO Cc1noc(C)c1[C@@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245528091 402468767 /nfs/dbraw/zinc/46/87/67/402468767.db2.gz FWDFCTQFPAUOAN-WFASDCNBSA-N 1 0 305.422 2.482 10 0 DEAERO CCOCc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)ccc1OC ZINC000245549050 402469749 /nfs/dbraw/zinc/46/97/49/402469749.db2.gz YQWLDKVMEDIWEK-UKRRQHHQSA-N 1 0 320.433 2.318 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn(C)nc1C(C)(C)C ZINC000245551379 402469869 /nfs/dbraw/zinc/46/98/69/402469869.db2.gz BFKMRVNXJPJNGD-STQMWFEESA-N 1 0 304.438 2.026 10 0 DEAERO COCOc1ccc(OC)cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245566172 402471803 /nfs/dbraw/zinc/47/18/03/402471803.db2.gz SLXQDFIOCGMRHU-INIZCTEOSA-N 1 0 320.433 2.348 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccccc1SC ZINC000186955582 402473856 /nfs/dbraw/zinc/47/38/56/402473856.db2.gz XTNKLFZGPXOMPQ-GFCCVEGCSA-N 1 0 316.492 2.417 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000245685993 402479155 /nfs/dbraw/zinc/47/91/55/402479155.db2.gz ANWFWOUESWAPAI-NEPJUHHUSA-N 1 0 300.805 2.366 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000187922745 402513069 /nfs/dbraw/zinc/51/30/69/402513069.db2.gz DKRQRROQJPYSPH-KDOFPFPSSA-N 1 0 308.466 2.403 10 0 DEAERO CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000187063063 402481205 /nfs/dbraw/zinc/48/12/05/402481205.db2.gz RAZAYGWIUBOXBQ-YOEHRIQHSA-N 1 0 302.422 2.316 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)[C@@H]1C ZINC000246152448 402513232 /nfs/dbraw/zinc/51/32/32/402513232.db2.gz GKYJLTZQLAXCIX-NCOADZHNSA-N 1 0 307.482 2.097 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000178313874 402483991 /nfs/dbraw/zinc/48/39/91/402483991.db2.gz WGLOVZNKDYYPRO-BHYGNILZSA-N 1 0 318.465 2.351 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OC3COC3)cc2)C1 ZINC000187159982 402485821 /nfs/dbraw/zinc/48/58/21/402485821.db2.gz UKXICPYIOYOKIZ-CQSZACIVSA-N 1 0 319.405 2.070 10 0 DEAERO CN1C(=O)CCc2cc(C[NH2+][C@H]3Cc4ccccc4[C@@H]3O)ccc21 ZINC000187245389 402490030 /nfs/dbraw/zinc/49/00/30/402490030.db2.gz WJDFLMXKBVWKLB-PXNSSMCTSA-N 1 0 322.408 2.344 10 0 DEAERO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000245856425 402491267 /nfs/dbraw/zinc/49/12/67/402491267.db2.gz DQKDHJVJLJYOGS-RDJZCZTQSA-N 1 0 317.433 2.321 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c2ccccc21 ZINC000187283443 402491839 /nfs/dbraw/zinc/49/18/39/402491839.db2.gz ZPSFZKWCOSUPEV-FAAHXZRKSA-N 1 0 307.415 2.062 10 0 DEAERO C[C@H](O)[C@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000168441244 402496669 /nfs/dbraw/zinc/49/66/69/402496669.db2.gz CLMQIYZXXQXMEI-RYUDHWBXSA-N 1 0 307.419 2.433 10 0 DEAERO COc1cc(C[NH2+][C@H](C)CN(C)C)cc(Br)c1O ZINC000168715838 402497988 /nfs/dbraw/zinc/49/79/88/402497988.db2.gz UTDSBLNEBOWHQG-SECBINFHSA-N 1 0 317.227 2.203 10 0 DEAERO CC(C)CN(CC[NH+](C)C)C(=O)NCCCc1ccccn1 ZINC000178439403 402498869 /nfs/dbraw/zinc/49/88/69/402498869.db2.gz ZDKKXZSNIZSBRK-UHFFFAOYSA-N 1 0 306.454 2.243 10 0 DEAERO CO[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[C@@H]1C ZINC000187416613 402499752 /nfs/dbraw/zinc/49/97/52/402499752.db2.gz OKIKARMJXVXRFC-DZGCQCFKSA-N 1 0 311.470 2.316 10 0 DEAERO Cc1cc(C)n2c(C[N@H+](C)C[C@H]3CCCC[C@H]3O)cnc2n1 ZINC000245951851 402500046 /nfs/dbraw/zinc/50/00/46/402500046.db2.gz LFYRXOKRSMYVPY-GDBMZVCRSA-N 1 0 302.422 2.329 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)cnc1OC ZINC000245977603 402502091 /nfs/dbraw/zinc/50/20/91/402502091.db2.gz AIJPZVZJOCPKDI-KBPBESRZSA-N 1 0 318.421 2.489 10 0 DEAERO C[C@@H]([NH2+]C(C)(C)CNC(=O)CCCCC(N)=O)c1ccccc1 ZINC000187482300 402502802 /nfs/dbraw/zinc/50/28/02/402502802.db2.gz MJSAUDPLMBSXNV-CQSZACIVSA-N 1 0 319.449 2.278 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(O)c(F)c2)C1 ZINC000246016742 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C[N@@H+]1CC[C@H](NC(=O)NCc2nccs2)[C@@H]1c1ccccc1 ZINC000179128870 402574677 /nfs/dbraw/zinc/57/46/77/402574677.db2.gz UQHKUCRQWVHTPA-ZFWWWQNUSA-N 1 0 316.430 2.388 10 0 DEAERO Cc1cccc(Oc2ccc(S(=O)(=O)NCCC[NH3+])cc2)c1 ZINC000178889357 402550570 /nfs/dbraw/zinc/55/05/70/402550570.db2.gz AOZHTPHIRGLLMS-UHFFFAOYSA-N 1 0 320.414 2.414 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCOc1cccc(F)c1 ZINC000246965717 402551845 /nfs/dbraw/zinc/55/18/45/402551845.db2.gz DMHYTGXVMGSQRB-ZFWWWQNUSA-N 1 0 321.396 2.083 10 0 DEAERO CC(C)C[C@H]1CCCCC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247015592 402553319 /nfs/dbraw/zinc/55/33/19/402553319.db2.gz OEKCOZPPTSCDLW-HZPDHXFCSA-N 1 0 323.481 2.001 10 0 DEAERO CC[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000178945129 402558000 /nfs/dbraw/zinc/55/80/00/402558000.db2.gz TXXLGPBDPUULHX-NUEKZKHPSA-N 1 0 310.463 2.397 10 0 DEAERO Cc1cccc(O[C@H](C)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247207765 402560142 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C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)CS(C)(=O)=O ZINC000189914499 402567200 /nfs/dbraw/zinc/56/72/00/402567200.db2.gz PYGWVYFCSWMAGP-KBPBESRZSA-N 1 0 321.446 2.204 10 0 DEAERO CC(C)NC(=O)CC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000179077724 402570535 /nfs/dbraw/zinc/57/05/35/402570535.db2.gz ZXLFUOPORLQVPN-UHFFFAOYSA-N 1 0 312.841 2.439 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000171252351 402571796 /nfs/dbraw/zinc/57/17/96/402571796.db2.gz KOCLWZDIVLWMNR-LLVKDONJSA-N 1 0 307.360 2.455 10 0 DEAERO CCOCCC1(CNC(=O)N2CCC[N@@H+](C3CC3)CC2)CC1 ZINC000179093540 402572109 /nfs/dbraw/zinc/57/21/09/402572109.db2.gz JAKHVBYDTIEDOR-UHFFFAOYSA-N 1 0 309.454 2.073 10 0 DEAERO Cc1cnc(CCN(C)C(=O)NCC[NH+]2CCC(C)CC2)s1 ZINC000179141543 402575857 /nfs/dbraw/zinc/57/58/57/402575857.db2.gz FPVGZAWTUIQWHR-UHFFFAOYSA-N 1 0 324.494 2.367 10 0 DEAERO CCOC(=O)CC[N@@H+]1C[C@H](C(=O)OC)C[C@H](c2ccccc2)C1 ZINC000246196090 402517806 /nfs/dbraw/zinc/51/78/06/402517806.db2.gz 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C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000246299612 402524039 /nfs/dbraw/zinc/52/40/39/402524039.db2.gz BWTDFIWERKIESR-JYJNAYRXSA-N 1 0 303.450 2.136 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)C1CCCCC1 ZINC000246342410 402526124 /nfs/dbraw/zinc/52/61/24/402526124.db2.gz UWMNIFAQAYQSAE-RDJZCZTQSA-N 1 0 307.482 2.336 10 0 DEAERO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3C[C@H]3C)CC2)cc1 ZINC000170806328 402527152 /nfs/dbraw/zinc/52/71/52/402527152.db2.gz XDDGMYDJLITWKH-PBHICJAKSA-N 1 0 317.433 2.321 10 0 DEAERO COCCC1(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CCC1 ZINC000246386026 402528417 /nfs/dbraw/zinc/52/84/17/402528417.db2.gz NSRQRERVOBKOHB-GJZGRUSLSA-N 1 0 309.454 2.071 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246405223 402528892 /nfs/dbraw/zinc/52/88/92/402528892.db2.gz RTLMGXQKMNTGHL-SLEUVZQESA-N 1 0 322.453 2.347 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C12CCC2 ZINC000246407558 402529144 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CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC1(CC(=O)OC)CCCC1 ZINC000189378130 402535706 /nfs/dbraw/zinc/53/57/06/402535706.db2.gz DYBYWXGBPUCVRR-HNNXBMFYSA-N 1 0 324.465 2.443 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)C1 ZINC000170867610 402535871 /nfs/dbraw/zinc/53/58/71/402535871.db2.gz IDEQVEHIKDSIQR-JTQLQIEISA-N 1 0 300.761 2.020 10 0 DEAERO CSCCC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000171344638 402579118 /nfs/dbraw/zinc/57/91/18/402579118.db2.gz SYIQFPBMSUUYPR-UHFFFAOYSA-N 1 0 310.463 2.386 10 0 DEAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCCc2ccccn2)C1 ZINC000179210526 402581124 /nfs/dbraw/zinc/58/11/24/402581124.db2.gz VBRRWDKGWDLQMK-MRXNPFEDSA-N 1 0 318.465 2.434 10 0 DEAERO C[NH+](C)CCNC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000179219372 402582131 /nfs/dbraw/zinc/58/21/31/402582131.db2.gz OOLMFFOSWHKIFC-UHFFFAOYSA-N 1 0 321.421 2.003 10 0 DEAERO C[C@H]1CCCN(c2cc(N3CCC[N@@H+](C4CC4)CC3)ncn2)C1 ZINC000171831407 402626893 /nfs/dbraw/zinc/62/68/93/402626893.db2.gz DUXZTGGONKRTAU-HNNXBMFYSA-N 1 0 315.465 2.387 10 0 DEAERO c1nn2ccccc2c1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000179393089 402588501 /nfs/dbraw/zinc/58/85/01/402588501.db2.gz SYJPMMKSXIYKAH-QGZVFWFLSA-N 1 0 314.433 2.021 10 0 DEAERO CCN(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000171479451 402589527 /nfs/dbraw/zinc/58/95/27/402589527.db2.gz MVWKJANQQVDEEC-DLBZAZTESA-N 1 0 303.450 2.280 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)C1 ZINC000171522977 402591086 /nfs/dbraw/zinc/59/10/86/402591086.db2.gz KQMTYIQYQNDWOP-CQSZACIVSA-N 1 0 316.405 2.129 10 0 DEAERO CCCCN(CCO)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179473315 402591373 /nfs/dbraw/zinc/59/13/73/402591373.db2.gz ZSMPEKLQGUKXPK-DLBZAZTESA-N 1 0 319.449 2.236 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(Cl)c2F)C[C@@H]1C ZINC000179507226 402593085 /nfs/dbraw/zinc/59/30/85/402593085.db2.gz AWEGIBOQWXRAHV-NWDGAFQWSA-N 1 0 300.805 2.366 10 0 DEAERO O=C(c1cc(F)c(F)c(F)c1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171585819 402597782 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/nfs/dbraw/zinc/77/68/61/402776861.db2.gz SLCMDECPSGOJDX-UHFFFAOYSA-N 1 0 318.421 2.073 10 0 DEAERO CCSCC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000175077966 402776920 /nfs/dbraw/zinc/77/69/20/402776920.db2.gz ZIWUPITVFFQCLU-UHFFFAOYSA-N 1 0 304.410 2.149 10 0 DEAERO CO[C@H](C)c1noc(CN2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000175096960 402778515 /nfs/dbraw/zinc/77/85/15/402778515.db2.gz ZCHRWKMFSNODEL-CYBMUJFWSA-N 1 0 308.426 2.085 10 0 DEAERO CN(C(=O)c1cnn(CCC(F)(F)F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000182870431 402723316 /nfs/dbraw/zinc/72/33/16/402723316.db2.gz KBZRVVYBFVRFIT-LBPRGKRZSA-N 1 0 318.343 2.002 10 0 DEAERO CC(C)C(=O)N1CCC([NH2+][C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183703655 402790462 /nfs/dbraw/zinc/79/04/62/402790462.db2.gz SPRRBEWXCBEKBO-CYBMUJFWSA-N 1 0 312.454 2.343 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000194326835 402792330 /nfs/dbraw/zinc/79/23/30/402792330.db2.gz RWPQDGFPYGSBLS-OAHLLOKOSA-N 1 0 304.394 2.251 10 0 DEAERO C=Cn1cc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cn1 ZINC000194365147 402794339 /nfs/dbraw/zinc/79/43/39/402794339.db2.gz BFXNRSDTLLMGMO-CYBMUJFWSA-N 1 0 303.797 2.401 10 0 DEAERO O=C(CCCOCCc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195335074 402842300 /nfs/dbraw/zinc/84/23/00/402842300.db2.gz PITRVQQAQXTFNI-GOSISDBHSA-N 1 0 316.445 2.333 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(OC)c2O)C1 ZINC000175313135 402796719 /nfs/dbraw/zinc/79/67/19/402796719.db2.gz GTQFTCPIPLSZEX-CYBMUJFWSA-N 1 0 306.406 2.205 10 0 DEAERO CCc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[nH]c(C)c1C(C)=O ZINC000195335704 402842471 /nfs/dbraw/zinc/84/24/71/402842471.db2.gz RFFIZJRTIGOLOE-CYBMUJFWSA-N 1 0 303.406 2.008 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000175393650 402802721 /nfs/dbraw/zinc/80/27/21/402802721.db2.gz KXTGSUSKDRXDFF-LLVKDONJSA-N 1 0 318.389 2.070 10 0 DEAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)CC2 ZINC000183898783 402803976 /nfs/dbraw/zinc/80/39/76/402803976.db2.gz OPCZDHCVUMEYJW-OLZOCXBDSA-N 1 0 322.453 2.426 10 0 DEAERO CC(C)c1ccc(OCCC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000194600890 402804280 /nfs/dbraw/zinc/80/42/80/402804280.db2.gz JRPPXRVHEBZDAZ-KRWDZBQOSA-N 1 0 320.433 2.026 10 0 DEAERO Cc1cc(CCCC(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C)s1 ZINC000175421323 402805313 /nfs/dbraw/zinc/80/53/13/402805313.db2.gz DCIKNSGCNIZFNM-MRXNPFEDSA-N 1 0 324.490 2.477 10 0 DEAERO CCCN(C)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195339377 402842903 /nfs/dbraw/zinc/84/29/03/402842903.db2.gz ZAXJFDLRLHFOHP-QGZVFWFLSA-N 1 0 301.434 2.453 10 0 DEAERO COc1ccc(OCCCC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000194736420 402813456 /nfs/dbraw/zinc/81/34/56/402813456.db2.gz HTUORDYXUMBQGW-AWEZNQCLSA-N 1 0 306.406 2.065 10 0 DEAERO CCOc1ccc(C(=O)CCC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000194736340 402813845 /nfs/dbraw/zinc/81/38/45/402813845.db2.gz NESPUZQKALKQJB-HNNXBMFYSA-N 1 0 318.417 2.259 10 0 DEAERO C[C@H]1CCC[C@H](C)N(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000175521278 402814036 /nfs/dbraw/zinc/81/40/36/402814036.db2.gz PJRQJHFLRMSDEW-HOTGVXAUSA-N 1 0 311.470 2.319 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc2nc(C)cc(C)n12 ZINC000184053388 402814699 /nfs/dbraw/zinc/81/46/99/402814699.db2.gz HHIVQJXQKWLMTR-JKSUJKDBSA-N 1 0 313.449 2.405 10 0 DEAERO COc1cc(N2CC[NH+](CCc3ccc(C)cc3)CC2)ncn1 ZINC000184078193 402816352 /nfs/dbraw/zinc/81/63/52/402816352.db2.gz ROAUBNKKFAJNIT-UHFFFAOYSA-N 1 0 312.417 2.158 10 0 DEAERO COc1ccccc1CCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195043252 402828170 /nfs/dbraw/zinc/82/81/70/402828170.db2.gz AYITXHVJFRJBFM-INIZCTEOSA-N 1 0 302.418 2.325 10 0 DEAERO O=C(c1ccc(-n2ccnc2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195058379 402829893 /nfs/dbraw/zinc/82/98/93/402829893.db2.gz PKTLJNLXFKZTEZ-KRWDZBQOSA-N 1 0 310.401 2.183 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000175773377 402831115 /nfs/dbraw/zinc/83/11/15/402831115.db2.gz YQQWICXFIZQGDH-OWCLPIDISA-N 1 0 313.486 2.467 10 0 DEAERO CC1CC[NH+](CC(=O)NCc2ncc(-c3ccccc3)cn2)CC1 ZINC000184326343 402835570 /nfs/dbraw/zinc/83/55/70/402835570.db2.gz QGABCWQNILDGLR-UHFFFAOYSA-N 1 0 324.428 2.492 10 0 DEAERO C[C@@H](CNC(=O)N[C@@H]1COc2ccccc21)C[NH+]1CCCC1 ZINC000195196443 402835761 /nfs/dbraw/zinc/83/57/61/402835761.db2.gz HXPLWYPGQIWCKS-DZGCQCFKSA-N 1 0 303.406 2.151 10 0 DEAERO Cc1cnn(CC[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000195199697 402836420 /nfs/dbraw/zinc/83/64/20/402836420.db2.gz USJQMXMMXWWOMR-KRWDZBQOSA-N 1 0 322.453 2.428 10 0 DEAERO Cc1noc(Cl)c1CCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195318065 402841379 /nfs/dbraw/zinc/84/13/79/402841379.db2.gz BAUMVCKPDAKPKN-GFCCVEGCSA-N 1 0 311.813 2.266 10 0 DEAERO CC(C)OCCN1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194067176 402783319 /nfs/dbraw/zinc/78/33/19/402783319.db2.gz JZSMKWXVZFWSSH-KZNAEPCWSA-N 1 0 322.493 2.423 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000194068958 402783448 /nfs/dbraw/zinc/78/34/48/402783448.db2.gz RNTMACNLDIFSID-CJNGLKHVSA-N 1 0 306.406 2.238 10 0 DEAERO CC(C)C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C(=O)OC(C)C ZINC000183657794 402785749 /nfs/dbraw/zinc/78/57/49/402785749.db2.gz WVITWRFTOPXMOK-AWEZNQCLSA-N 1 0 321.421 2.244 10 0 DEAERO CC(C)OC(=O)C[C@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000184452533 402844892 /nfs/dbraw/zinc/84/48/92/402844892.db2.gz OCIWVUGEKBDIQV-CABCVRRESA-N 1 0 315.454 2.216 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000184453476 402844960 /nfs/dbraw/zinc/84/49/60/402844960.db2.gz VDZSQSKBVYFOAQ-UHFFFAOYSA-N 1 0 318.421 2.227 10 0 DEAERO C/C(=C/c1ccc(F)cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000176006472 402847103 /nfs/dbraw/zinc/84/71/03/402847103.db2.gz MLHFAELZUZSTQU-PFONDFGASA-N 1 0 320.408 2.458 10 0 DEAERO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515890 402848913 /nfs/dbraw/zinc/84/89/13/402848913.db2.gz AAUOTJHZEUEAMH-JKSUJKDBSA-N 1 0 318.465 2.366 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195518123 402849726 /nfs/dbraw/zinc/84/97/26/402849726.db2.gz XFQIJBPUODVFGX-GZBFAFLISA-N 1 0 322.453 2.326 10 0 DEAERO O[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)COc1ccccc1 ZINC000282032486 403115217 /nfs/dbraw/zinc/11/52/17/403115217.db2.gz LACSNRHKBSBDOV-NVXWUHKLSA-N 1 0 305.418 2.365 10 0 DEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000282043150 403116353 /nfs/dbraw/zinc/11/63/53/403116353.db2.gz AROPHZCZFDFPOX-PRHODGIISA-N 1 0 315.186 2.345 10 0 DEAERO C[N@H+](CCCCO)Cc1ccc(I)cc1 ZINC000276325337 403163692 /nfs/dbraw/zinc/16/36/92/403163692.db2.gz DXYAOJYLDMHLSJ-UHFFFAOYSA-N 1 0 319.186 2.496 10 0 DEAERO Cc1cc(CO)oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000283083713 403169692 /nfs/dbraw/zinc/16/96/92/403169692.db2.gz QOXICNWTSWBGEW-UHFFFAOYSA-N 1 0 306.406 2.171 10 0 DEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000282276362 403138950 /nfs/dbraw/zinc/13/89/50/403138950.db2.gz HXHRCPURYSTKDR-UFBFGSQYSA-N 1 0 315.186 2.345 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C)CC2)C12CCCC2 ZINC000152899145 286318558 /nfs/dbraw/zinc/31/85/58/286318558.db2.gz OMIKTXLUOZEKET-JKSUJKDBSA-N 1 0 323.481 2.460 10 0 DEAERO COc1ccc(C[N@@H+]2CCC[C@H]2CN(C(C)=O)C2CC2)cn1 ZINC000276429793 403174607 /nfs/dbraw/zinc/17/46/07/403174607.db2.gz LTCPPBKOJIMZEI-INIZCTEOSA-N 1 0 303.406 2.066 10 0 DEAERO C[C@@H]([NH2+]Cc1cccc(I)c1)[C@H](C)CO ZINC000283794116 403224170 /nfs/dbraw/zinc/22/41/70/403224170.db2.gz APXWTCORPHKCSZ-NXEZZACHSA-N 1 0 319.186 2.398 10 0 DEAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000277519705 403226415 /nfs/dbraw/zinc/22/64/15/403226415.db2.gz SJDFOAUGMQSWQN-UHFFFAOYSA-N 1 0 312.417 2.031 10 0 DEAERO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cn[nH]c1 ZINC000270398556 403187702 /nfs/dbraw/zinc/18/77/02/403187702.db2.gz YWEBAKJZEMMFIK-UKRRQHHQSA-N 1 0 305.426 2.131 10 0 DEAERO CC(=O)[C@](C)(O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000331297631 403372647 /nfs/dbraw/zinc/37/26/47/403372647.db2.gz DAIOSOHKPMTSPQ-QGZVFWFLSA-N 1 0 307.365 2.060 10 0 DEAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](C)CS(C)(=O)=O)C12CCCC2 ZINC000246442993 286333175 /nfs/dbraw/zinc/33/31/75/286333175.db2.gz DNWJQMYWVAYJKQ-SOUVJXGZSA-N 1 0 317.495 2.337 10 0 DEAERO CC(C)[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)CCCO1 ZINC000293322711 403443084 /nfs/dbraw/zinc/44/30/84/403443084.db2.gz XQAHVGSPGVSTFD-MSOLQXFVSA-N 1 0 307.434 2.311 10 0 DEAERO C[NH+](C)CC1(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)CCC1 ZINC000293493996 403487201 /nfs/dbraw/zinc/48/72/01/403487201.db2.gz AUZRLHZLBYLMEN-UHFFFAOYSA-N 1 0 315.417 2.130 10 0 DEAERO C[NH+](C)Cc1cc(CNc2ncnc3n[nH]cc32)ccc1F ZINC000301304538 403613767 /nfs/dbraw/zinc/61/37/67/403613767.db2.gz SZLWZTWZMZLCLE-UHFFFAOYSA-N 1 0 300.341 2.166 10 0 DEAERO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCCOC1 ZINC000332858912 403627531 /nfs/dbraw/zinc/62/75/31/403627531.db2.gz ZLWJKYORKVDFSG-YZDRTPDPSA-N 1 0 309.454 2.116 10 0 DEAERO CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000333191675 403690181 /nfs/dbraw/zinc/69/01/81/403690181.db2.gz AAWHGDLWIMJTLX-ZNMIVQPWSA-N 1 0 319.453 2.138 10 0 DEAERO C(C[NH+]1CCCCC1)O[C@H]1CCN(c2nnc(C3CC3)s2)C1 ZINC000301858461 403692233 /nfs/dbraw/zinc/69/22/33/403692233.db2.gz SGGCTZVGVPGHSI-AWEZNQCLSA-N 1 0 322.478 2.497 10 0 DEAERO C[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000333204298 403693822 /nfs/dbraw/zinc/69/38/22/403693822.db2.gz YPQCCMJYUGXNHL-GFCCVEGCSA-N 1 0 304.394 2.229 10 0 DEAERO O=C(Nc1ccc(-n2cccn2)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000333332471 403726939 /nfs/dbraw/zinc/72/69/39/403726939.db2.gz WKLSOLIZUMDLIO-UHFFFAOYSA-N 1 0 311.389 2.232 10 0 DEAERO O=C(N[C@@H]1CCc2c1cccc2O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333426034 403749022 /nfs/dbraw/zinc/74/90/22/403749022.db2.gz TXYDDBBOBFSMKR-OAHLLOKOSA-N 1 0 315.417 2.165 10 0 DEAERO O=C(NCc1ccc2ccccc2n1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333425374 403749502 /nfs/dbraw/zinc/74/95/02/403749502.db2.gz TWBXHNFUASBTII-ZBFHGGJFSA-N 1 0 310.401 2.128 10 0 DEAERO Nc1cccnc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303620471 403755832 /nfs/dbraw/zinc/75/58/32/403755832.db2.gz AEUYCEPCYWGTKJ-HNNXBMFYSA-N 1 0 310.401 2.058 10 0 DEAERO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)NCc1ccccc1 ZINC000303678954 403755910 /nfs/dbraw/zinc/75/59/10/403755910.db2.gz RGZFSBJEOYKMJH-KZNAEPCWSA-N 1 0 316.445 2.318 10 0 DEAERO C[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000333456155 403756041 /nfs/dbraw/zinc/75/60/41/403756041.db2.gz OQYGNZVXYRDARK-LBEHMCEESA-N 1 0 304.438 2.156 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(c2nccs2)CC1 ZINC000333664181 403807569 /nfs/dbraw/zinc/80/75/69/403807569.db2.gz MAISPLKMGUWLKM-DGCLKSJQSA-N 1 0 308.451 2.030 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]CCN2CCC[C@@H](C)C2)C12CCOCC2 ZINC000249052232 286386599 /nfs/dbraw/zinc/38/65/99/286386599.db2.gz WYGIOLCFJLXVCJ-IXDOHACOSA-N 1 0 310.482 2.282 10 0 DEAERO Cc1csc([C@@H](C)CNC(=O)N2CCC3(CC[NH2+]C3)CC2)n1 ZINC000333685855 403815603 /nfs/dbraw/zinc/81/56/03/403815603.db2.gz CCPGRXZGAIJEIA-LBPRGKRZSA-N 1 0 322.478 2.340 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000347725374 403827764 /nfs/dbraw/zinc/82/77/64/403827764.db2.gz JHVFRKNDEBQMMQ-ZDUSSCGKSA-N 1 0 300.196 2.221 10 0 DEAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)C[C@H]2C1 ZINC000333559887 403780014 /nfs/dbraw/zinc/78/00/14/403780014.db2.gz KUJXJDSCMRDMJJ-ZTYXSZCMSA-N 1 0 315.479 2.135 10 0 DEAERO CC1(C)CN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@H]1c1cccnc1 ZINC000333627453 403796917 /nfs/dbraw/zinc/79/69/17/403796917.db2.gz FZZNDZOIRWIZHJ-CABCVRRESA-N 1 0 302.422 2.316 10 0 DEAERO CC1(C)CN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@H]1c1ccncc1 ZINC000333735217 403837610 /nfs/dbraw/zinc/83/76/10/403837610.db2.gz WVHQWLGDCRTJPQ-CABCVRRESA-N 1 0 302.422 2.316 10 0 DEAERO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333911826 403898833 /nfs/dbraw/zinc/89/88/33/403898833.db2.gz FFUXQPJQSVTIQK-CVEARBPZSA-N 1 0 323.481 2.367 10 0 DEAERO O[C@@]1(C[NH2+][C@@H]2CCCSC2)CCN(Cc2ccccc2)C1 ZINC000341245698 403862470 /nfs/dbraw/zinc/86/24/70/403862470.db2.gz DFXRLXLCVWWLHK-IAGOWNOFSA-N 1 0 306.475 2.109 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000333802937 403865411 /nfs/dbraw/zinc/86/54/11/403865411.db2.gz OIQHVDXVACJSKQ-GAAXJCHASA-N 1 0 305.466 2.356 10 0 DEAERO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C)nn3)C2)C12CCC2 ZINC000333808066 403868096 /nfs/dbraw/zinc/86/80/96/403868096.db2.gz HMTWJTZGYGSZEX-OWCLPIDISA-N 1 0 316.449 2.301 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000295366579 403884589 /nfs/dbraw/zinc/88/45/89/403884589.db2.gz ZOLGPKRSWHLLAA-XHDPSFHLSA-N 1 0 304.390 2.373 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCc4ccccc4C3)C[C@@H]21 ZINC000333860331 403887517 /nfs/dbraw/zinc/88/75/17/403887517.db2.gz ZEBGQFSWCXCLFG-ZJPYXAASSA-N 1 0 313.445 2.313 10 0 DEAERO COC(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000323650725 404092723 /nfs/dbraw/zinc/09/27/23/404092723.db2.gz WRRGCAQHCQINGP-HNNXBMFYSA-N 1 0 304.434 2.392 10 0 DEAERO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000341581734 404050049 /nfs/dbraw/zinc/05/00/49/404050049.db2.gz HDUVUUNQSVUFFZ-KFWWJZLASA-N 1 0 319.453 2.356 10 0 DEAERO COCCC[NH+]1CCC(NC(=O)N2CCCC23CCC3)CC1 ZINC000373099068 404528459 /nfs/dbraw/zinc/52/84/59/404528459.db2.gz MDCUVIIOIJFMAI-UHFFFAOYSA-N 1 0 309.454 2.215 10 0 DEAERO c1ccc(C[N@@H+]2CC[C@@H](N3CCO[C@@]4(CCCOC4)C3)C2)cc1 ZINC000297285846 404534799 /nfs/dbraw/zinc/53/47/99/404534799.db2.gz ACTSGTHRVZVUGL-MOPGFXCFSA-N 1 0 316.445 2.142 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]C[C@H]2CC=CCC2)CC(=O)N1C ZINC000330294540 404618749 /nfs/dbraw/zinc/61/87/49/404618749.db2.gz IPVGOFXNQZDDDJ-HDMKZQKVSA-N 1 0 316.449 2.255 10 0 DEAERO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)n1 ZINC000374072418 404685678 /nfs/dbraw/zinc/68/56/78/404685678.db2.gz PTMLLJSEEVUSGJ-FQUUOJAGSA-N 1 0 309.410 2.116 10 0 DEAERO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCC3(C)C)C2)CC1 ZINC000366051638 404749017 /nfs/dbraw/zinc/74/90/17/404749017.db2.gz IYSPUJVPAWBEEX-RDJZCZTQSA-N 1 0 321.509 2.488 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CC2(CCOCC2)O1 ZINC000366154590 404764303 /nfs/dbraw/zinc/76/43/03/404764303.db2.gz CPVYMIXPFBAJDK-CYBMUJFWSA-N 1 0 317.389 2.440 10 0 DEAERO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000356886076 404717005 /nfs/dbraw/zinc/71/70/05/404717005.db2.gz SRBCWNQXDMNFPR-HZPDHXFCSA-N 1 0 315.461 2.447 10 0 DEAERO COc1ccc2c(c1)CC[N@@H+](C[C@@H](O)CC(F)(F)F)CC2 ZINC000375981588 404783047 /nfs/dbraw/zinc/78/30/47/404783047.db2.gz RLYWGEUFXULDJG-ZDUSSCGKSA-N 1 0 303.324 2.409 10 0 DEAERO Cc1nccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000366470275 404797100 /nfs/dbraw/zinc/79/71/00/404797100.db2.gz USFUQKYMNCNBJH-KRWDZBQOSA-N 1 0 305.422 2.335 10 0 DEAERO C[C@H](NC(=O)N1CCOCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000376866779 404829896 /nfs/dbraw/zinc/82/98/96/404829896.db2.gz MVQGQBKNBLTQOM-PMPSAXMXSA-N 1 0 323.481 2.460 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000415278617 404839307 /nfs/dbraw/zinc/83/93/07/404839307.db2.gz YDCQXIOXHIXKOQ-CJNGLKHVSA-N 1 0 318.421 2.308 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000415262390 404835920 /nfs/dbraw/zinc/83/59/20/404835920.db2.gz IGMIVMDLLKAZCA-CQSZACIVSA-N 1 0 306.410 2.164 10 0 DEAERO CN(C(=O)c1occc1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000434266522 404876854 /nfs/dbraw/zinc/87/68/54/404876854.db2.gz MTOMBPNCAZMXRO-NSHDSACASA-N 1 0 313.195 2.208 10 0 DEAERO C[NH+]1CCC2(CCCN(C(=O)/C=C/c3cncc(O)c3)C2)CC1 ZINC000366846318 404856515 /nfs/dbraw/zinc/85/65/15/404856515.db2.gz BICDPXHBDODUGE-ONEGZZNKSA-N 1 0 315.417 2.135 10 0 DEAERO C[C@](O)(C[NH+]1CCC(C(=O)N2CCCCC2)CC1)C(F)(F)F ZINC000366847497 404857412 /nfs/dbraw/zinc/85/74/12/404857412.db2.gz SQMATSDSLJEBDZ-AWEZNQCLSA-N 1 0 322.371 2.024 10 0 DEAERO CC[NH+](CC)CC1CCN(c2cncc(-n3cccn3)n2)CC1 ZINC000360964200 404863388 /nfs/dbraw/zinc/86/33/88/404863388.db2.gz OCRRFPJZJWQXQF-UHFFFAOYSA-N 1 0 314.437 2.221 10 0 DEAERO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360964046 404863446 /nfs/dbraw/zinc/86/34/46/404863446.db2.gz LHZWCBFBPOEEDF-GFCCVEGCSA-N 1 0 306.406 2.256 10 0 DEAERO Cc1n[nH]c(CC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)n1 ZINC000360965996 404864259 /nfs/dbraw/zinc/86/42/59/404864259.db2.gz JVVBTDLYJWPXLM-UHFFFAOYSA-N 1 0 316.405 2.401 10 0 DEAERO CC(=O)c1ccccc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378235957 404904193 /nfs/dbraw/zinc/90/41/93/404904193.db2.gz XVGNQGVINQCKPK-YOEHRIQHSA-N 1 0 300.402 2.493 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)Cc2csc3nccn23)CC1 ZINC000361092216 404911951 /nfs/dbraw/zinc/91/19/51/404911951.db2.gz DMARLJKSWJHLEC-UHFFFAOYSA-N 1 0 320.462 2.177 10 0 DEAERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccnnc1 ZINC000378269330 404912275 /nfs/dbraw/zinc/91/22/75/404912275.db2.gz POSPQENSOAYJBX-HNNXBMFYSA-N 1 0 310.401 2.213 10 0 DEAERO CCO[C@@H]1C[C@](NC[C@H](O)CCC(C)C)(C(=O)OC)C1(C)C ZINC000361319920 405021886 /nfs/dbraw/zinc/02/18/86/405021886.db2.gz FNPIOCKOJCYXII-CPUCHLNUSA-N 1 0 315.454 2.120 10 0 DEAERO COc1cccc(CC(=O)N2C[C@@H]([NH3+])CC[C@@H]2C(F)(F)F)c1 ZINC000379293550 405025845 /nfs/dbraw/zinc/02/58/45/405025845.db2.gz WITXHITUVKFUCO-WCQYABFASA-N 1 0 316.323 2.118 10 0 DEAERO CCOC[C@H](O)C[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379651471 405027400 /nfs/dbraw/zinc/02/74/00/405027400.db2.gz UNVWWDYLQISPCG-QZTJIDSGSA-N 1 0 306.450 2.028 10 0 DEAERO CC(C)C[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361209614 404974521 /nfs/dbraw/zinc/97/45/21/404974521.db2.gz HFLCSJJNTAWFNY-VQIMIIECSA-N 1 0 318.461 2.422 10 0 DEAERO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC12CCC2 ZINC000435582655 404991327 /nfs/dbraw/zinc/99/13/27/404991327.db2.gz FRAQPEZMNZKCSG-UHFFFAOYSA-N 1 0 314.433 2.384 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2COCC2(C)C)cc1 ZINC000451808828 405047150 /nfs/dbraw/zinc/04/71/50/405047150.db2.gz KRQSRYXFQJYJSY-ABAIWWIYSA-N 1 0 304.390 2.231 10 0 DEAERO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2)C1 ZINC000392809099 405051718 /nfs/dbraw/zinc/05/17/18/405051718.db2.gz ZZELILUBCNJYCO-CYBMUJFWSA-N 1 0 302.399 2.013 10 0 DEAERO C[C@H]1CN(C(=O)c2ncccc2N)CCN1Cc1ccccc1 ZINC000396403067 405056091 /nfs/dbraw/zinc/05/60/91/405056091.db2.gz ZBTKXQUBAVLCMX-AWEZNQCLSA-N 1 0 310.401 2.010 10 0 DEAERO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000401760797 405066140 /nfs/dbraw/zinc/06/61/40/405066140.db2.gz RXNVINHHJIYGQL-KFWWJZLASA-N 1 0 302.484 2.216 10 0 DEAERO c1c(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)noc1-c1ccccc1 ZINC000404974584 405069962 /nfs/dbraw/zinc/06/99/62/405069962.db2.gz CSNZSGPVTCNDQR-CQSZACIVSA-N 1 0 309.373 2.448 10 0 DEAERO O[C@@H]1CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccn(C2CCCC2)n1 ZINC000407961402 405076736 /nfs/dbraw/zinc/07/67/36/405076736.db2.gz FOXXBQXYZJWLRX-RCCFBDPRSA-N 1 0 319.449 2.360 10 0 DEAERO CC1(C)CN(Cc2nc3cccnc3s2)C[C@]2(CCOC2)O1 ZINC000361510321 405108418 /nfs/dbraw/zinc/10/84/18/405108418.db2.gz HGARURSBAHVBCC-INIZCTEOSA-N 1 0 319.430 2.461 10 0 DEAERO Cc1nc([C@H](C)NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cs1 ZINC000408098449 405111353 /nfs/dbraw/zinc/11/13/53/405111353.db2.gz FXIOHNQILXASGS-VHRBIJSZSA-N 1 0 308.451 2.439 10 0 DEAERO Cc1nc([C@H]2CCCN2C(=O)C2CC[NH+](C(C)C)CC2)no1 ZINC000408103008 405112472 /nfs/dbraw/zinc/11/24/72/405112472.db2.gz KBUQBYXDXWSWED-CQSZACIVSA-N 1 0 306.410 2.162 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CCS(=O)(=O)CC1 ZINC000408241170 405150322 /nfs/dbraw/zinc/15/03/22/405150322.db2.gz HZBGXWOVZSSKPF-LLVKDONJSA-N 1 0 313.467 2.174 10 0 DEAERO c1coc(C[N@H+](CC[C@H]2CCCCO2)CCN2CCOCC2)c1 ZINC000452053138 405143658 /nfs/dbraw/zinc/14/36/58/405143658.db2.gz XETIVTWVFKSYIF-QGZVFWFLSA-N 1 0 322.449 2.373 10 0 DEAERO C(C[NH+]1CCCCC1)O[C@@H]1CCN(c2nc(C3CCC3)no2)C1 ZINC000568474251 292342310 /nfs/dbraw/zinc/34/23/10/292342310.db2.gz ZOMBPJIFLRCSMQ-OAHLLOKOSA-N 1 0 320.437 2.418 10 0 DEAERO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C[C@@H]1O ZINC000408417896 405202579 /nfs/dbraw/zinc/20/25/79/405202579.db2.gz UBOLHDJWOPEULZ-PVAVHDDUSA-N 1 0 323.481 2.196 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000408320362 405172701 /nfs/dbraw/zinc/17/27/01/405172701.db2.gz KZCFXWHMMSLQOO-MNOVXSKESA-N 1 0 308.451 2.192 10 0 DEAERO C[C@@H](C(=O)NCCNc1cc[nH+]cc1)c1cccc(Cl)c1 ZINC000439040995 405263504 /nfs/dbraw/zinc/26/35/04/405263504.db2.gz PCXXEKAPACPHLD-GFCCVEGCSA-N 1 0 303.793 2.489 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000439044797 405263612 /nfs/dbraw/zinc/26/36/12/405263612.db2.gz ZXJFMQXEYRVKPQ-KGLIPLIRSA-N 1 0 317.339 2.114 10 0 DEAERO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)C[C@@H]21 ZINC000453036292 405277621 /nfs/dbraw/zinc/27/76/21/405277621.db2.gz NVZBGRJYHRCQSV-ILHHOCCXSA-N 1 0 306.356 2.231 10 0 DEAERO COC1([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)CCOCC1 ZINC000453137513 405286596 /nfs/dbraw/zinc/28/65/96/405286596.db2.gz XNZKPSRAPUOJTH-RDJZCZTQSA-N 1 0 307.434 2.326 10 0 DEAERO c1ccc(OCCCC[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000438001227 405228352 /nfs/dbraw/zinc/22/83/52/405228352.db2.gz RAGRSZWLSGOOEQ-UHFFFAOYSA-N 1 0 301.394 2.032 10 0 DEAERO c1ccc(OCCOCCN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420360084 405331107 /nfs/dbraw/zinc/33/11/07/405331107.db2.gz FYZQVWDUIPEQCD-SFHVURJKSA-N 1 0 304.434 2.158 10 0 DEAERO COc1cc(C)c(C(=O)NCCC[N@H+](C)C(C)C)cc1OC ZINC000445844752 405358925 /nfs/dbraw/zinc/35/89/25/405358925.db2.gz IPVHFZXPMWFCQE-UHFFFAOYSA-N 1 0 308.422 2.472 10 0 DEAERO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446611819 405386756 /nfs/dbraw/zinc/38/67/56/405386756.db2.gz AIXIKRUGBWCPLG-CQSZACIVSA-N 1 0 319.449 2.449 10 0 DEAERO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000446892158 405395844 /nfs/dbraw/zinc/39/58/44/405395844.db2.gz IIRBLQWMLCPSDD-KRWDZBQOSA-N 1 0 300.406 2.394 10 0 DEAERO Cc1nn(C)cc1CC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000448774267 405447019 /nfs/dbraw/zinc/44/70/19/405447019.db2.gz KBIMJNSVUZHRIH-OKILXGFUSA-N 1 0 320.481 2.144 10 0 DEAERO COc1nsc(C[NH2+]C[C@H]2CCCN2C)c1Br ZINC000638443160 405470926 /nfs/dbraw/zinc/47/09/26/405470926.db2.gz IDOGFNIUEMBYJQ-MRVPVSSYSA-N 1 0 320.256 2.098 10 0 DEAERO [NH3+]C1(CNC(=O)c2cc(F)c(Cl)cc2Cl)CCOCC1 ZINC000638537800 405534241 /nfs/dbraw/zinc/53/42/41/405534241.db2.gz FYPXMHLEZAZESD-UHFFFAOYSA-N 1 0 321.179 2.370 10 0 DEAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ncsc1Br ZINC000421710049 405604203 /nfs/dbraw/zinc/60/42/03/405604203.db2.gz IMCKNQXVJROJIR-QMMMGPOBSA-N 1 0 318.240 2.072 10 0 DEAERO C[NH+](C)CCCC(C)(C)NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000458779859 405586946 /nfs/dbraw/zinc/58/69/46/405586946.db2.gz CBOUBAMFFJAJOZ-UHFFFAOYSA-N 1 0 317.437 2.483 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)c2cc(Br)ccc2O)C[NH2+]1 ZINC000638643550 405590124 /nfs/dbraw/zinc/59/01/24/405590124.db2.gz LSKTUPMPROTTCX-WCBMZHEXSA-N 1 0 313.195 2.025 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NCC[C@H]1CCc2ccccc21 ZINC000458922007 405655243 /nfs/dbraw/zinc/65/52/43/405655243.db2.gz NLJZKFDONYCWPF-MRXNPFEDSA-N 1 0 324.428 2.335 10 0 DEAERO c1ccc2nc(CC[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)ccc2c1 ZINC000422792508 405682083 /nfs/dbraw/zinc/68/20/83/405682083.db2.gz ZIRYUDVRUIOMPB-OALUTQOASA-N 1 0 311.429 2.134 10 0 DEAERO c1ccc(N2CC[C@H](C[NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)C2)cc1 ZINC000638834032 405702558 /nfs/dbraw/zinc/70/25/58/405702558.db2.gz CKDPCRYYSBYNSX-LMMKCTJWSA-N 1 0 316.445 2.441 10 0 DEAERO COc1nsc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1Br ZINC000638857644 405719396 /nfs/dbraw/zinc/71/93/96/405719396.db2.gz HAJVIBFELWMNMG-HTQZYQBOSA-N 1 0 321.240 2.307 10 0 DEAERO C[C@@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000638887230 405741075 /nfs/dbraw/zinc/74/10/75/405741075.db2.gz KHSDHSDCMDCKBN-NXEZZACHSA-N 1 0 317.216 2.425 10 0 DEAERO COCc1cccc(C(=O)N2C[C@H]([NH3+])CC[C@@H]2C(F)(F)F)c1 ZINC000583619765 405776567 /nfs/dbraw/zinc/77/65/67/405776567.db2.gz DUEZXARQDFEGBN-CHWSQXEVSA-N 1 0 316.323 2.327 10 0 DEAERO O=C(NC1CCCCC1)N1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000495061480 405808033 /nfs/dbraw/zinc/80/80/33/405808033.db2.gz CPKKNNQCBGWRER-AWEZNQCLSA-N 1 0 311.495 2.399 10 0 DEAERO C[C@H]([NH2+]CCN1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495069923 405810668 /nfs/dbraw/zinc/81/06/68/405810668.db2.gz WJWPUKGAXFBKOA-GJZGRUSLSA-N 1 0 311.470 2.317 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000457392946 405824517 /nfs/dbraw/zinc/82/45/17/405824517.db2.gz QXALJMVSVVNBDM-UHFFFAOYSA-N 1 0 306.406 2.099 10 0 DEAERO CCn1nncc1CN(C)Cc1nccn1Cc1ccccc1 ZINC000459364855 405873039 /nfs/dbraw/zinc/87/30/39/405873039.db2.gz WNHYVNBHLOCFFD-UHFFFAOYSA-N 1 0 310.405 2.175 10 0 DEAERO COc1nsc(C[NH2+]CCCCCO)c1Br ZINC000639117016 405896057 /nfs/dbraw/zinc/89/60/57/405896057.db2.gz AXZIFWAAALKTGT-UHFFFAOYSA-N 1 0 309.229 2.166 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000457430748 405840593 /nfs/dbraw/zinc/84/05/93/405840593.db2.gz BGQSXRICBFOWBX-CQSZACIVSA-N 1 0 318.417 2.386 10 0 DEAERO c1c(CN2CCC[C@H]2C[NH+]2CCCCC2)nnn1CC1CC1 ZINC000450347059 405846227 /nfs/dbraw/zinc/84/62/27/405846227.db2.gz IRUIQULKPNABSG-KRWDZBQOSA-N 1 0 303.454 2.138 10 0 DEAERO COC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000530768858 405857295 /nfs/dbraw/zinc/85/72/95/405857295.db2.gz DNSSEZZNLJDYAR-CZUORRHYSA-N 1 0 323.412 2.154 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H](CO)C(C)C)c1Br ZINC000639188237 405956507 /nfs/dbraw/zinc/95/65/07/405956507.db2.gz QUPBSIGVXJONCF-QMMMGPOBSA-N 1 0 323.256 2.268 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCC(=O)OC)CC1 ZINC000531476547 405964722 /nfs/dbraw/zinc/96/47/22/405964722.db2.gz FXZRFMQHWAIMHL-HNNXBMFYSA-N 1 0 310.438 2.053 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639123157 405901279 /nfs/dbraw/zinc/90/12/79/405901279.db2.gz JVLZRZDRHNQZNH-MSOLQXFVSA-N 1 0 315.461 2.361 10 0 DEAERO c1nc2n(n1)[C@@H](C[NH+]1CC(c3nc4ccccc4s3)C1)CC2 ZINC000639555696 406144586 /nfs/dbraw/zinc/14/45/86/406144586.db2.gz REHCQEMXNUFYBZ-GFCCVEGCSA-N 1 0 311.414 2.475 10 0 DEAERO O=C1[C@@H]([NH2+]Cc2cc(Cl)cs2)CCN1C1CCOCC1 ZINC000487295686 406221730 /nfs/dbraw/zinc/22/17/30/406221730.db2.gz DLQMNXGKRYJSDP-ZDUSSCGKSA-N 1 0 314.838 2.271 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000487533371 406242165 /nfs/dbraw/zinc/24/21/65/406242165.db2.gz DRCSWRCARUTESH-GWCFXTLKSA-N 1 0 314.227 2.230 10 0 DEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc(Br)o1)C2 ZINC000634749066 406263342 /nfs/dbraw/zinc/26/33/42/406263342.db2.gz CWTYVCOFPXUYGV-BETUJISGSA-N 1 0 313.195 2.114 10 0 DEAERO Cc1oc(-c2ccco2)nc1CC(=O)N(C)CCC[NH+](C)C ZINC000537213780 406286810 /nfs/dbraw/zinc/28/68/10/406286810.db2.gz RNDAFACJHPKYIE-UHFFFAOYSA-N 1 0 305.378 2.196 10 0 DEAERO c1nc2c(ncnc2NCCC[NH2+]C2CC2)n1-c1ccccc1 ZINC000634812015 406296236 /nfs/dbraw/zinc/29/62/36/406296236.db2.gz XKGGFQJBZFGFFU-UHFFFAOYSA-N 1 0 308.389 2.370 10 0 DEAERO COC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000537516691 406293358 /nfs/dbraw/zinc/29/33/58/406293358.db2.gz FSLUXLNCMRMBHK-STQMWFEESA-N 1 0 306.431 2.483 10 0 DEAERO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCNc1cc[nH+]cc1 ZINC000488580093 406332641 /nfs/dbraw/zinc/33/26/41/406332641.db2.gz KLLTVAIFZUNLHN-QGZVFWFLSA-N 1 0 313.401 2.198 10 0 DEAERO Cc1cc2c(cc1NC(=O)NCC[N@H+]1CC=C(C)CC1)OCO2 ZINC000546583479 406363813 /nfs/dbraw/zinc/36/38/13/406363813.db2.gz VSTIMGLCDJIDJJ-UHFFFAOYSA-N 1 0 317.389 2.497 10 0 DEAERO c1ccc(CCc2noc(CN3CCC4(CC[NH2+]4)CC3)n2)cc1 ZINC000521607321 406356772 /nfs/dbraw/zinc/35/67/72/406356772.db2.gz OLRFTHLKBWMWCY-UHFFFAOYSA-N 1 0 312.417 2.183 10 0 DEAERO c1cc2c(cc1[C@H]1CCCN1CC13CC(C1)C[NH2+]3)OCCO2 ZINC000634991881 406389063 /nfs/dbraw/zinc/38/90/63/406389063.db2.gz VHIJWKXEPGCXAK-NSWWBONSSA-N 1 0 300.402 2.347 10 0 DEAERO COc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000635000707 406393575 /nfs/dbraw/zinc/39/35/75/406393575.db2.gz UDQZDKUOMCVWHT-PWSUYJOCSA-N 1 0 313.239 2.484 10 0 DEAERO Cc1ccc2c(c1)[C@@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)CO2 ZINC000547277588 406394529 /nfs/dbraw/zinc/39/45/29/406394529.db2.gz QHUQAOQSOBHZRD-INIZCTEOSA-N 1 0 315.417 2.380 10 0 DEAERO c1nnn(Cc2ccccc2)c1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000490576904 406472391 /nfs/dbraw/zinc/47/23/91/406472391.db2.gz DSJJHOPPHZJKSI-IRXDYDNUSA-N 1 0 311.433 2.043 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC1(C)CCCCC1 ZINC000637938474 406485612 /nfs/dbraw/zinc/48/56/12/406485612.db2.gz YLXOARRMLZQFBA-MRXNPFEDSA-N 1 0 303.450 2.285 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC2COC2)cc1 ZINC000547739719 406440918 /nfs/dbraw/zinc/44/09/18/406440918.db2.gz UKXHPGGMLLIDAQ-MRXNPFEDSA-N 1 0 304.390 2.277 10 0 DEAERO C[C@H](NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000637868003 406453559 /nfs/dbraw/zinc/45/35/59/406453559.db2.gz LFWNSPOWOQCFMF-MAUKXSAKSA-N 1 0 311.429 2.323 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000637884896 406462517 /nfs/dbraw/zinc/46/25/17/406462517.db2.gz UWOKJIVDPYJOCU-VSYUYLJXSA-N 1 0 303.189 2.287 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N(C)CC[NH+]1CCCC1)CC2 ZINC000526001964 406530578 /nfs/dbraw/zinc/53/05/78/406530578.db2.gz AIUQHGLFUBTYTC-CQSZACIVSA-N 1 0 318.465 2.192 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@H]1C1CCC1 ZINC000637968960 406501561 /nfs/dbraw/zinc/50/15/61/406501561.db2.gz CUMCNYZDJKZNHD-MSOLQXFVSA-N 1 0 315.461 2.237 10 0 DEAERO c1nc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc2c1OCCO2 ZINC000637996457 406515370 /nfs/dbraw/zinc/51/53/70/406515370.db2.gz PKTGUYNUBNUXQH-INIZCTEOSA-N 1 0 317.433 2.303 10 0 DEAERO [NH3+]CC[C@@H](NC(=O)c1csc(C(F)(F)F)c1)C(F)F ZINC000638256016 406652147 /nfs/dbraw/zinc/65/21/47/406652147.db2.gz OJFFZHCALRQOHX-ZCFIWIBFSA-N 1 0 302.268 2.479 10 0 DEAERO c1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)sn1 ZINC000638329801 406704439 /nfs/dbraw/zinc/70/44/39/406704439.db2.gz PHGQHYVIASASGF-INIZCTEOSA-N 1 0 303.431 2.306 10 0 DEAERO CCC1(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CCOCC1 ZINC000572738495 406731354 /nfs/dbraw/zinc/73/13/54/406731354.db2.gz HKSKPXYDKIWAJH-HZPDHXFCSA-N 1 0 311.466 2.351 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638378732 406737118 /nfs/dbraw/zinc/73/71/18/406737118.db2.gz SMJSCQXWYSPJMR-IIHMKKKESA-N 1 0 302.418 2.224 10 0 DEAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000527803142 406757225 /nfs/dbraw/zinc/75/72/25/406757225.db2.gz CMSRDRLBOLMDGN-UOKLYIGXSA-N 1 0 302.216 2.084 10 0 DEAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643618635 407018242 /nfs/dbraw/zinc/01/82/42/407018242.db2.gz WXBFQBBOPASNLL-NSHDSACASA-N 1 0 317.216 2.188 10 0 DEAERO Brc1cccc(-c2noc([C@H]3C[NH2+]CCOC3)n2)c1 ZINC000644511191 407133183 /nfs/dbraw/zinc/13/31/83/407133183.db2.gz FFBNAEBCYIBJOO-JTQLQIEISA-N 1 0 324.178 2.203 10 0 DEAERO C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000109066168 296870163 /nfs/dbraw/zinc/87/01/63/296870163.db2.gz DZAGRBRVZZOJIV-MUIFIZLQSA-N 1 0 302.418 2.363 10 0 DEAERO C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C[C@H](C)[NH2+]1 ZINC000246001846 296870687 /nfs/dbraw/zinc/87/06/87/296870687.db2.gz DZAGRBRVZZOJIV-WTTBNOFXSA-N 1 0 302.418 2.363 10 0 DEAERO CC[NH+]1CCC(CNC(=O)N[C@@H](COC)c2ccccc2)CC1 ZINC000571422844 292548862 /nfs/dbraw/zinc/54/88/62/292548862.db2.gz UFTIWPCENGYNKA-KRWDZBQOSA-N 1 0 319.449 2.405 10 0 DEAERO C[NH2+][C@@H]1CCN(C(=O)c2cccc(F)c2Br)C1 ZINC000128918322 196003317 /nfs/dbraw/zinc/00/33/17/196003317.db2.gz XELTXFSHNKAISZ-MRVPVSSYSA-N 1 0 301.159 2.022 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCCS(=O)(=O)CC ZINC000190909388 287224477 /nfs/dbraw/zinc/22/44/77/287224477.db2.gz BUZFWIXPKQLPLW-HZPDHXFCSA-N 1 0 316.511 2.150 10 0 DEAERO CC(C)C[NH2+]CC[C@H](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000129040749 196014536 /nfs/dbraw/zinc/01/45/36/196014536.db2.gz BLTRNMFJBQDIME-LSDHHAIUSA-N 1 0 304.500 2.320 10 0 DEAERO CC(C)[NH2+]C[C@H](C)[C@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129101892 196018877 /nfs/dbraw/zinc/01/88/77/196018877.db2.gz DCDVABHPOVWVFI-ILXRZTDVSA-N 1 0 304.500 2.318 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H]([NH3+])[C@@H](OC)C1CC1 ZINC000129130915 196021699 /nfs/dbraw/zinc/02/16/99/196021699.db2.gz JYQQBCPOLRWILA-MFKMUULPSA-N 1 0 316.243 2.269 10 0 DEAERO Cc1cc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c(C)s1 ZINC000129165851 196025666 /nfs/dbraw/zinc/02/56/66/196025666.db2.gz MFHBRGAUKLICRX-ZDUSSCGKSA-N 1 0 302.465 2.033 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(Br)cc1-n1cc(C(N)=O)cn1 ZINC000129233297 196031184 /nfs/dbraw/zinc/03/11/84/196031184.db2.gz MTVHFCCFZPOGEM-QMMMGPOBSA-N 1 0 323.194 2.014 10 0 DEAERO CC(C)Cn1ncnc1COc1cc(Cl)ccc1C(N)=[NH2+] ZINC000129302673 196037565 /nfs/dbraw/zinc/03/75/65/196037565.db2.gz PUBIJRVRZLGEEA-UHFFFAOYSA-N 1 0 307.785 2.451 10 0 DEAERO COC(=O)CCOc1ccc(Br)c(C[C@H](C)[NH3+])c1 ZINC000129300176 196037623 /nfs/dbraw/zinc/03/76/23/196037623.db2.gz JRRQHKBLQKTIPD-VIFPVBQESA-N 1 0 316.195 2.281 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1F ZINC000129395172 196044636 /nfs/dbraw/zinc/04/46/36/196044636.db2.gz SHWCCRMYZWJHDN-CYBMUJFWSA-N 1 0 321.396 2.001 10 0 DEAERO CCc1ccccc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000129571279 196058432 /nfs/dbraw/zinc/05/84/32/196058432.db2.gz NUPMELAWWAZCCR-HNNXBMFYSA-N 1 0 318.461 2.414 10 0 DEAERO Cc1cc([C@@H](C)NC(=O)C(C)(C)N2CC[NH2+]CC2)c(C)s1 ZINC000129617328 196062473 /nfs/dbraw/zinc/06/24/73/196062473.db2.gz KOGMGYIGSMKKNL-GFCCVEGCSA-N 1 0 309.479 2.226 10 0 DEAERO CCO[C@H]([C@H]([NH3+])Cc1c(Br)c(C)nn1C)C1CC1 ZINC000129840674 196079523 /nfs/dbraw/zinc/07/95/23/196079523.db2.gz ASMQQOMJSSAZGH-MFKMUULPSA-N 1 0 316.243 2.176 10 0 DEAERO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc(Cl)c1C ZINC000130465926 196084969 /nfs/dbraw/zinc/08/49/69/196084969.db2.gz BEBYGDDYJBKFHQ-NSHDSACASA-N 1 0 304.843 2.444 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)C(=O)NCC(F)(F)F ZINC000130503756 196086622 /nfs/dbraw/zinc/08/66/22/196086622.db2.gz QSBMEDHYRJRALH-MFKMUULPSA-N 1 0 300.324 2.201 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)NCCCCC(F)(F)F)cc1 ZINC000130552656 196090445 /nfs/dbraw/zinc/09/04/45/196090445.db2.gz YSVBIRBEDLQTEO-UHFFFAOYSA-N 1 0 310.341 2.156 10 0 DEAERO Cc1cc2c(=O)n(CC[NH2+]Cc3ccc(Cl)s3)ccn2n1 ZINC000130750112 196106750 /nfs/dbraw/zinc/10/67/50/196106750.db2.gz YKDUMXMYEGKSQP-UHFFFAOYSA-N 1 0 322.821 2.309 10 0 DEAERO [NH3+]C1CCN([C@H]2CCN(c3ncc(Cl)cc3Cl)C2)CC1 ZINC000130869131 196117466 /nfs/dbraw/zinc/11/74/66/196117466.db2.gz KPYOAMAVWMZQQK-LBPRGKRZSA-N 1 0 315.248 2.390 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H]2CCCO2)C1 ZINC000130894586 196121091 /nfs/dbraw/zinc/12/10/91/196121091.db2.gz DPYSHQBXOCKXLQ-CVEARBPZSA-N 1 0 311.470 2.175 10 0 DEAERO C[C@@H]1CC[C@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)O1 ZINC000130942785 196125622 /nfs/dbraw/zinc/12/56/22/196125622.db2.gz URGQCBHRLCDEAF-ZIAGYGMSSA-N 1 0 312.479 2.032 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)Nc1nc(N)ncc1Br ZINC000131041197 196134804 /nfs/dbraw/zinc/13/48/04/196134804.db2.gz DYIGNFHOXCOHKK-VIFPVBQESA-N 1 0 314.231 2.108 10 0 DEAERO C[NH2+][C@H](c1cccc2c1OCCC2)[C@@H]1CCCCS1(=O)=O ZINC000131087680 196138324 /nfs/dbraw/zinc/13/83/24/196138324.db2.gz RGUCAFQEOVTWKH-LSDHHAIUSA-N 1 0 309.431 2.239 10 0 DEAERO CNC(=O)CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000131195691 196148397 /nfs/dbraw/zinc/14/83/97/196148397.db2.gz BIOVHAKQHWUFQL-CYBMUJFWSA-N 1 0 303.406 2.136 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)c1ccc(OC)c(F)c1 ZINC000131197733 196148590 /nfs/dbraw/zinc/14/85/90/196148590.db2.gz NVVRFTGIIORPJL-ZDUSSCGKSA-N 1 0 303.399 2.310 10 0 DEAERO Cc1nc([C@@H]2CCS(=O)(=O)C2)sc1C[NH2+]C(C)(C)C ZINC000131268690 196155022 /nfs/dbraw/zinc/15/50/22/196155022.db2.gz KUCOQQUQKIFTBG-SNVBAGLBSA-N 1 0 302.465 2.242 10 0 DEAERO CCC(O)(CC)c1c(Br)cnn1CC[NH+](C)C ZINC000131404129 196165480 /nfs/dbraw/zinc/16/54/80/196165480.db2.gz WVBLYJMILRXFJY-UHFFFAOYSA-N 1 0 304.232 2.215 10 0 DEAERO O[C@@H](C[NH2+][C@H]1CCOC1)COc1c(Cl)cccc1Cl ZINC000131467357 196171181 /nfs/dbraw/zinc/17/11/81/196171181.db2.gz FVNCWMJHFAKWAX-UWVGGRQHSA-N 1 0 306.189 2.112 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)C[C@H](C)c2ccccc2C)CC1 ZINC000131540065 196178466 /nfs/dbraw/zinc/17/84/66/196178466.db2.gz LMJLWVPQMFEASG-DLBZAZTESA-N 1 0 318.461 2.404 10 0 DEAERO CC[C@@H](C)[C@H](O)c1c(Br)cnn1CC[NH+](C)C ZINC000132029078 196220675 /nfs/dbraw/zinc/22/06/75/196220675.db2.gz LBBWFHATFRCFCG-SKDRFNHKSA-N 1 0 304.232 2.287 10 0 DEAERO C[NH+](C)CCn1ncc(Cl)c1[C@@H](O)c1cc(F)ccc1F ZINC000132050900 196222422 /nfs/dbraw/zinc/22/24/22/196222422.db2.gz CCUGSPLEXVZEST-AWEZNQCLSA-N 1 0 315.751 2.458 10 0 DEAERO CC(C)C[C@@H](O)c1c(Br)cnn1CC[NH+](C)C ZINC000132155448 196230545 /nfs/dbraw/zinc/23/05/45/196230545.db2.gz YHRGLZAVELRXEE-LLVKDONJSA-N 1 0 304.232 2.287 10 0 DEAERO Cc1sc2nc(CN3CC[C@H]([C@@H](C)[NH3+])C3)nc(N)c2c1C ZINC000132387509 196252001 /nfs/dbraw/zinc/25/20/01/196252001.db2.gz HUTWBKJRWOLUGW-KOLCDFICSA-N 1 0 305.451 2.059 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000132542835 196264241 /nfs/dbraw/zinc/26/42/41/196264241.db2.gz YGWZHHVDYAISMD-CQSZACIVSA-N 1 0 321.339 2.461 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1ccccc1C(C)C ZINC000132594490 196268942 /nfs/dbraw/zinc/26/89/42/196268942.db2.gz GXWZHDRGAADTQR-QGZVFWFLSA-N 1 0 308.422 2.126 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H](COCc2ccc(F)cc2Br)O1 ZINC000132805895 196284765 /nfs/dbraw/zinc/28/47/65/196284765.db2.gz BVTQDPFCPNCNHB-CABZTGNLSA-N 1 0 318.186 2.482 10 0 DEAERO C[C@H](CCO)[NH2+]C[C@H]1Cc2cc(Br)ccc2O1 ZINC000133000957 196303659 /nfs/dbraw/zinc/30/36/59/196303659.db2.gz PZGQPLDEDZORMK-BXKDBHETSA-N 1 0 300.196 2.113 10 0 DEAERO COc1ccc(Br)cc1C[C@@H](O)[C@H]1CCC[NH2+]C1 ZINC000133044513 196307641 /nfs/dbraw/zinc/30/76/41/196307641.db2.gz YBPUOVLEDDRORG-GXFFZTMASA-N 1 0 314.223 2.361 10 0 DEAERO COc1ccc(Br)c(C[C@H](O)[C@@H]2CCC[NH2+]C2)c1 ZINC000133046790 196307778 /nfs/dbraw/zinc/30/77/78/196307778.db2.gz HIBGCLSQZZDMAM-YGRLFVJLSA-N 1 0 314.223 2.361 10 0 DEAERO COCc1nc(Nc2cc(Cl)ccc2OC)cc(NN)[nH+]1 ZINC000133075889 196310195 /nfs/dbraw/zinc/31/01/95/196310195.db2.gz STFQNMPHTCLZJF-UHFFFAOYSA-N 1 0 309.757 2.314 10 0 DEAERO O[C@@H](Cc1ccc(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000133088179 196310566 /nfs/dbraw/zinc/31/05/66/196310566.db2.gz NYCHRGAGALHFGW-GWCFXTLKSA-N 1 0 302.187 2.491 10 0 DEAERO C[NH2+][C@H](CC[C@H]1CCCO1)c1c(Br)cnn1C ZINC000133733621 196332835 /nfs/dbraw/zinc/33/28/35/196332835.db2.gz FOBWGJIHQDHHHH-MWLCHTKSSA-N 1 0 302.216 2.402 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cccc(Br)c1O ZINC000133812451 196337962 /nfs/dbraw/zinc/33/79/62/196337962.db2.gz DYABTIUOIRSUCZ-SECBINFHSA-N 1 0 313.195 2.483 10 0 DEAERO CC[NH2+][C@H](c1c(Cl)cnn1CCOC)[C@H]1CCCCO1 ZINC000134014722 196353218 /nfs/dbraw/zinc/35/32/18/196353218.db2.gz RTGDNZJBXPWBDJ-OLZOCXBDSA-N 1 0 301.818 2.403 10 0 DEAERO NC(=O)N1CCC([NH2+]C[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000134144260 196365353 /nfs/dbraw/zinc/36/53/53/196365353.db2.gz WECRQMDKWZKODV-AWEZNQCLSA-N 1 0 322.478 2.018 10 0 DEAERO CC[C@@H](CCO)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000134399565 196386219 /nfs/dbraw/zinc/38/62/19/196386219.db2.gz DRXNDDNSPJRPKW-NSHDSACASA-N 1 0 315.211 2.138 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])C[C@@H](C)OC)c1Br ZINC000134454257 196392961 /nfs/dbraw/zinc/39/29/61/196392961.db2.gz FXKWSAYHAXXMKQ-RKDXNWHRSA-N 1 0 304.232 2.040 10 0 DEAERO CC[NH2+][C@@H]1CSC[C@@H]1c1nc([C@@H]2CSCCS2)no1 ZINC000134837497 196422842 /nfs/dbraw/zinc/42/28/42/196422842.db2.gz QBKBHEPXWQQSAR-AEJSXWLSSA-N 1 0 317.505 2.399 10 0 DEAERO COCCNC(=O)CC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000135120606 196445885 /nfs/dbraw/zinc/44/58/85/196445885.db2.gz VCDMQQLWOPPCIT-JQWIXIFHSA-N 1 0 314.476 2.416 10 0 DEAERO NC(=[NH2+])c1ccncc1Sc1nnc(C2CC2)n1C1CC1 ZINC000135781250 196503399 /nfs/dbraw/zinc/50/33/99/196503399.db2.gz DDNZODADHDJDAJ-UHFFFAOYSA-N 1 0 300.391 2.321 10 0 DEAERO C[C@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])CCS1 ZINC000137185511 196568022 /nfs/dbraw/zinc/56/80/22/196568022.db2.gz RTASIJDAEMLYKA-ZETCQYMHSA-N 1 0 304.341 2.326 10 0 DEAERO CC(C)[NH2+]C[C@H](O)COc1ccc(F)c(Br)c1 ZINC000137534233 196576569 /nfs/dbraw/zinc/57/65/69/196576569.db2.gz XVURLFXNQVOFHX-VIFPVBQESA-N 1 0 306.175 2.326 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(F)cc1F)C[C@@H]1CCS(=O)(=O)C1 ZINC000138033816 196581851 /nfs/dbraw/zinc/58/18/51/196581851.db2.gz USPQXMRTSUQFOV-FZMZJTMJSA-N 1 0 317.401 2.310 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2F)C[C@@H]1C ZINC000189007954 225040566 /nfs/dbraw/zinc/04/05/66/225040566.db2.gz MDSLFWOOSPNZLS-NWDGAFQWSA-N 1 0 300.805 2.366 10 0 DEAERO COCC[N@H+](C)CCCNc1cc(N2CCC[C@@H](C)C2)ncn1 ZINC000189427279 225050846 /nfs/dbraw/zinc/05/08/46/225050846.db2.gz ZRMIMIINDYOILW-OAHLLOKOSA-N 1 0 321.469 2.093 10 0 DEAERO C[NH+](C)C1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1 ZINC000192754875 225142325 /nfs/dbraw/zinc/14/23/25/225142325.db2.gz AWLFPSCHHWDPLR-UHFFFAOYSA-N 1 0 323.344 2.115 10 0 DEAERO C1CC[NH+](C2CCN(c3nc(C4CCOCC4)no3)CC2)CC1 ZINC000572253744 292605511 /nfs/dbraw/zinc/60/55/11/292605511.db2.gz ZDIXUIODEBQTGT-UHFFFAOYSA-N 1 0 320.437 2.418 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1nccnc1N(C)C ZINC000302211577 230168778 /nfs/dbraw/zinc/16/87/78/230168778.db2.gz ZKKWSHOXQJGZOR-GDBMZVCRSA-N 1 0 311.433 2.475 10 0 DEAERO c1cc2c(nc(C3CC3)nc2NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)[nH]1 ZINC000631292892 422666567 /nfs/dbraw/zinc/66/65/67/422666567.db2.gz QMKAPLAXRXRRSQ-BETUJISGSA-N 1 0 313.405 2.110 10 0 DEAERO O[C@@H](C[NH2+]CC[C@H]1CCCO1)COCc1ccccc1Cl ZINC000038097148 424808641 /nfs/dbraw/zinc/80/86/41/424808641.db2.gz JZYRPANVWCMMGT-LSDHHAIUSA-N 1 0 313.825 2.376 10 0 DEAERO O[C@H](C[NH2+]CC[C@H]1CCCO1)COCc1ccccc1Cl ZINC000038097147 424808717 /nfs/dbraw/zinc/80/87/17/424808717.db2.gz JZYRPANVWCMMGT-HUUCEWRRSA-N 1 0 313.825 2.376 10 0 DEAERO CC(C)([NH3+])c1cn(Cc2ccc(OC(F)(F)F)cc2)nn1 ZINC000070118569 424842085 /nfs/dbraw/zinc/84/20/85/424842085.db2.gz PSANVCZNYPJGMB-UHFFFAOYSA-N 1 0 300.284 2.419 10 0 DEAERO c1ccc2c(c1)oc1c2ncnc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363197132 424854743 /nfs/dbraw/zinc/85/47/43/424854743.db2.gz HWTZBUIQVFSLFA-QWHCGFSZSA-N 1 0 324.384 2.651 10 0 DEAERO Cc1csc([C@H]2CCCN(CC(=O)Nc3nncs3)C2)n1 ZINC000195322848 424882660 /nfs/dbraw/zinc/88/26/60/424882660.db2.gz DDJRPNDQZBHGCW-JTQLQIEISA-N 1 0 323.447 2.121 10 0 DEAERO O[C@]1(CC[NH2+]Cc2c(F)cccc2Br)CCOC1 ZINC000404136289 424925122 /nfs/dbraw/zinc/92/51/22/424925122.db2.gz CJZVQLPYJOKOGJ-CYBMUJFWSA-N 1 0 318.186 2.219 10 0 DEAERO CC[C@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000403898834 424925600 /nfs/dbraw/zinc/92/56/00/424925600.db2.gz YZDUCJXPXAINAW-DLBZAZTESA-N 1 0 307.434 2.454 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000404628366 424928130 /nfs/dbraw/zinc/92/81/30/424928130.db2.gz DOIWZMKBGDSZDL-UHFFFAOYSA-N 1 0 302.827 2.056 10 0 DEAERO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1nscc1Br ZINC000404767577 424928970 /nfs/dbraw/zinc/92/89/70/424928970.db2.gz HKYCUQYELRGYLJ-APPZFPTMSA-N 1 0 318.240 2.153 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000405269388 424930684 /nfs/dbraw/zinc/93/06/84/424930684.db2.gz QYVHACAQJCIDLP-DGCLKSJQSA-N 1 0 316.492 2.449 10 0 DEAERO CCC(C)(C)NC(=O)[C@@H](C)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000249009081 424887103 /nfs/dbraw/zinc/88/71/03/424887103.db2.gz OGYDMTCEYUFSOS-LRTDBIEQSA-N 1 0 316.511 2.303 10 0 DEAERO CCn1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC=C(C)CC1 ZINC000656857828 425214613 /nfs/dbraw/zinc/21/46/13/425214613.db2.gz WOQNJGFMABMLNL-CKEIUWERSA-N 1 0 302.422 2.311 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1nnn(C(C)(C)C)n1 ZINC000657428293 425331811 /nfs/dbraw/zinc/33/18/11/425331811.db2.gz HOOOBJGSSRHGLU-AWEZNQCLSA-N 1 0 316.453 2.038 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1nnc(C(C)C)o1 ZINC000176656334 267541075 /nfs/dbraw/zinc/54/10/75/267541075.db2.gz NVRCHCWJBPOSNA-CYBMUJFWSA-N 1 0 310.442 2.218 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659271983 425564261 /nfs/dbraw/zinc/56/42/61/425564261.db2.gz XVVVBOOVQVJWKK-AWEZNQCLSA-N 1 0 302.418 2.370 10 0 DEAERO Cc1cc(COCC(=O)NCCCCC[NH+]2CCCCC2)on1 ZINC000193633252 267762065 /nfs/dbraw/zinc/76/20/65/267762065.db2.gz HNPZJSQJYIGPAU-UHFFFAOYSA-N 1 0 323.437 2.272 10 0 DEAERO [NH3+]CC12CC(C1)CN2c1ccnc2cc(Br)cnc21 ZINC000656611110 425803277 /nfs/dbraw/zinc/80/32/77/425803277.db2.gz VBJJMFAPPRIPFJ-UHFFFAOYSA-N 1 0 319.206 2.320 10 0 DEAERO O=C(Nc1nc(-c2cccc(O)c2)cs1)C1CC[NH2+]CC1 ZINC000237989134 268608096 /nfs/dbraw/zinc/60/80/96/268608096.db2.gz CGYCIWUARDEHDS-UHFFFAOYSA-N 1 0 303.387 2.454 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000333278809 268918333 /nfs/dbraw/zinc/91/83/33/268918333.db2.gz HFCIIWRCFUGAAF-INWMFGNUSA-N 1 0 303.406 2.310 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000333698703 268979174 /nfs/dbraw/zinc/97/91/74/268979174.db2.gz DCPRUTMDDPMIHP-WFGGJUAMSA-N 1 0 305.397 2.369 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000333698699 268979186 /nfs/dbraw/zinc/97/91/86/268979186.db2.gz DCPRUTMDDPMIHP-BRXULGCHSA-N 1 0 305.397 2.369 10 0 DEAERO C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000333720831 268982819 /nfs/dbraw/zinc/98/28/19/268982819.db2.gz GOOQHEBKIAPULO-APHBMKBZSA-N 1 0 321.396 2.049 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@H]2CCCC[NH2+]C2)no1 ZINC000333806691 268994145 /nfs/dbraw/zinc/99/41/45/268994145.db2.gz IPINSOBEZBSCGQ-STQMWFEESA-N 1 0 321.425 2.182 10 0 DEAERO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccn1 ZINC000363392248 269055955 /nfs/dbraw/zinc/05/59/55/269055955.db2.gz FJBBPGVXXBZAIW-ZIAGYGMSSA-N 1 0 302.422 2.459 10 0 DEAERO CCCCOC[C@@H](O)C[N@@H+]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000396403852 269103224 /nfs/dbraw/zinc/10/32/24/269103224.db2.gz ZJJWKQMNPWWHQB-MJGOQNOKSA-N 1 0 320.477 2.370 10 0 DEAERO Cc1cc(CC[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)on1 ZINC000507222313 269315629 /nfs/dbraw/zinc/31/56/29/269315629.db2.gz SUCKBAOABWDOSK-GFCCVEGCSA-N 1 0 308.403 2.280 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527741184 269539543 /nfs/dbraw/zinc/53/95/43/269539543.db2.gz YJLIGMQRMBPOBY-INIZCTEOSA-N 1 0 300.406 2.233 10 0 DEAERO CCC[C@H](C(=O)NCC(=O)Nc1c(C)cc(C)cc1C)[NH+](C)C ZINC000178645370 273620075 /nfs/dbraw/zinc/62/00/75/273620075.db2.gz FYHSJTLPROBUQS-OAHLLOKOSA-N 1 0 319.449 2.397 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(-n2ccnc2)cc1 ZINC000180590647 274259575 /nfs/dbraw/zinc/25/95/75/274259575.db2.gz STLHUCOQJXIMOD-UKRRQHHQSA-N 1 0 308.389 2.129 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2ccc(F)cc2F)C1 ZINC000188017662 274319126 /nfs/dbraw/zinc/31/91/26/274319126.db2.gz JEQCQSPTPOPOAP-BZNIZROVSA-N 1 0 312.360 2.386 10 0 DEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000262411008 275815571 /nfs/dbraw/zinc/81/55/71/275815571.db2.gz DDJPUYDQRPELFK-OAHLLOKOSA-N 1 0 301.390 2.288 10 0 DEAERO CCC[C@H](C(=O)NCC1(CC(=O)OC)CCCCC1)[NH+](C)C ZINC000186558549 276038223 /nfs/dbraw/zinc/03/82/23/276038223.db2.gz SQGJHFKGWRLTTF-CQSZACIVSA-N 1 0 312.454 2.347 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000187724349 276153732 /nfs/dbraw/zinc/15/37/32/276153732.db2.gz YUDZJEXFCDOMHA-OWCLPIDISA-N 1 0 322.474 2.157 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000247653864 276157426 /nfs/dbraw/zinc/15/74/26/276157426.db2.gz XMYSAZBASYVXIJ-MSOLQXFVSA-N 1 0 317.477 2.150 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCc1ccccc1F ZINC000261958523 276161161 /nfs/dbraw/zinc/16/11/61/276161161.db2.gz XKAUKDGLVBPWKU-JCKWVBRZSA-N 1 0 320.408 2.017 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnc2nc(C)cc(C)n12 ZINC000123409754 276377588 /nfs/dbraw/zinc/37/75/88/276377588.db2.gz FVENHPUMKVENMB-HNNXBMFYSA-N 1 0 301.438 2.262 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)C2=COCCC2)c2ccccc2O1 ZINC000372783072 276803898 /nfs/dbraw/zinc/80/38/98/276803898.db2.gz HGHKSRWWWRJMHW-AWEZNQCLSA-N 1 0 302.374 2.037 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000415261279 276948899 /nfs/dbraw/zinc/94/88/99/276948899.db2.gz GNNCHQMUCLHDFQ-LRDDRELGSA-N 1 0 318.421 2.403 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc(-c2cccc(Nc3cnccn3)c2)n1 ZINC000261619006 277038770 /nfs/dbraw/zinc/03/87/70/277038770.db2.gz BQCFMPXJKISFQA-NSHDSACASA-N 1 0 310.361 2.421 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c(s2)CCOC3)C1 ZINC000246816722 277181503 /nfs/dbraw/zinc/18/15/03/277181503.db2.gz SATPPMHYCRVQFV-JSGCOSHPSA-N 1 0 320.458 2.377 10 0 DEAERO CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000075829590 277334001 /nfs/dbraw/zinc/33/40/01/277334001.db2.gz BTHQAMPWGWLOKA-APWZRJJASA-N 1 0 318.461 2.378 10 0 DEAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000262320986 277595307 /nfs/dbraw/zinc/59/53/07/277595307.db2.gz QJSWQPWTZWSZTR-WDEREUQCSA-N 1 0 303.189 2.071 10 0 DEAERO CO[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000262038302 277657644 /nfs/dbraw/zinc/65/76/44/277657644.db2.gz BOKCNIVXLGZUNP-JKSUJKDBSA-N 1 0 301.390 2.280 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408384149 277666979 /nfs/dbraw/zinc/66/69/79/277666979.db2.gz YQJQKSYPDSLSGT-WWRWRHIGSA-N 1 0 320.477 2.305 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000415271979 277968602 /nfs/dbraw/zinc/96/86/02/277968602.db2.gz QRYDFWCPDMJEFR-LBPRGKRZSA-N 1 0 306.410 2.308 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCO[C@H]2C)c2ccc(F)cc2C1 ZINC000248689153 278057037 /nfs/dbraw/zinc/05/70/37/278057037.db2.gz AEVRSZWYXBKLKU-JECHBYEQSA-N 1 0 306.381 2.386 10 0 DEAERO CS[C@@H]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000175034818 278144703 /nfs/dbraw/zinc/14/47/03/278144703.db2.gz BCOJUQCAVQUJSD-SOUVJXGZSA-N 1 0 309.479 2.316 10 0 DEAERO CC1(C)C[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C(C)(C)O1 ZINC000089732588 278390001 /nfs/dbraw/zinc/39/00/01/278390001.db2.gz CFVCESOUJCNYET-KBPBESRZSA-N 1 0 304.438 2.381 10 0 DEAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000225310553 278610095 /nfs/dbraw/zinc/61/00/95/278610095.db2.gz IMXNQRIXYHYDKO-QPSCCSFWSA-N 1 0 302.484 2.072 10 0 DEAERO Cc1cccnc1CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000105093975 278971998 /nfs/dbraw/zinc/97/19/98/278971998.db2.gz TZHFKEFXBUQNQN-QGZVFWFLSA-N 1 0 312.417 2.492 10 0 DEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000282480410 279028190 /nfs/dbraw/zinc/02/81/90/279028190.db2.gz VHRXSVSMGZTDGJ-QPUJVOFHSA-N 1 0 315.186 2.345 10 0 DEAERO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249898720 279074682 /nfs/dbraw/zinc/07/46/82/279074682.db2.gz SIVTTZCUNSJKGQ-CABCVRRESA-N 1 0 304.438 2.072 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000249486007 279166831 /nfs/dbraw/zinc/16/68/31/279166831.db2.gz YGFIMBLTGUALJV-HRCADAONSA-N 1 0 313.486 2.155 10 0 DEAERO CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176419444 279350526 /nfs/dbraw/zinc/35/05/26/279350526.db2.gz YLCOXEDZLRUSDD-CQSZACIVSA-N 1 0 319.453 2.008 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnccc1N(C)C ZINC000183571120 281058165 /nfs/dbraw/zinc/05/81/65/281058165.db2.gz WLSHOFFGUQHZET-AWEZNQCLSA-N 1 0 304.438 2.142 10 0 DEAERO C[C@H]1CCCC[C@@H]1N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000128698623 281892529 /nfs/dbraw/zinc/89/25/29/281892529.db2.gz YARRHZSCAZFPSK-HOTGVXAUSA-N 1 0 311.470 2.319 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCCOc3c(F)cccc32)C1 ZINC000183827646 289312272 /nfs/dbraw/zinc/31/22/72/289312272.db2.gz MUWKKVZORDGMQN-IUODEOHRSA-N 1 0 321.396 2.385 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000105881211 293002989 /nfs/dbraw/zinc/00/29/89/293002989.db2.gz CTZADLUNCCAMLM-HUUCEWRRSA-N 1 0 312.417 2.147 10 0 DEAERO Cc1nnc([C@H]2CCCCN2C(=O)[C@@H](C)[NH+]2CCCCCC2)[nH]1 ZINC000328674722 293382581 /nfs/dbraw/zinc/38/25/81/293382581.db2.gz KCBCKOLXNNMNGN-UKRRQHHQSA-N 1 0 319.453 2.431 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000180957303 293692561 /nfs/dbraw/zinc/69/25/61/293692561.db2.gz OXHPUERYYNTOPU-AAEUAGOBSA-N 1 0 313.467 2.174 10 0 DEAERO [NH3+]CC1(CC(=O)N2CCCC[C@H]2c2nc[nH]n2)CCCCC1 ZINC000184245709 295221582 /nfs/dbraw/zinc/22/15/82/295221582.db2.gz IHFKVHPWQCYUJC-ZDUSSCGKSA-N 1 0 305.426 2.158 10 0 DEAERO C[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)[NH+]1CCCCCC1 ZINC000121043481 298081836 /nfs/dbraw/zinc/08/18/36/298081836.db2.gz CFPCVABGLLAIHU-NUJGCVRESA-N 1 0 308.466 2.405 10 0 DEAERO Cc1ccc([C@@H]2CSCCN2C(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000262512129 301752703 /nfs/dbraw/zinc/75/27/03/301752703.db2.gz JSJCVVRVZFXXCD-BBRMVZONSA-N 1 0 304.459 2.467 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261803625 302775437 /nfs/dbraw/zinc/77/54/37/302775437.db2.gz RECMYGLOIONROK-RBSFLKMASA-N 1 0 304.438 2.075 10 0 DEAERO Cn1nccc1[C@H]1[C@H]([NH2+][C@@H]2CCC23CCC3)CC(=O)N1C1CC1 ZINC000329049827 303097325 /nfs/dbraw/zinc/09/73/25/303097325.db2.gz WEFNUXJUVMGKAT-FRFSOERESA-N 1 0 314.433 2.147 10 0 DEAERO CC1CC(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000575892776 326254108 /nfs/dbraw/zinc/25/41/08/326254108.db2.gz CABJQLNHYCEKOZ-UHFFFAOYSA-N 1 0 316.445 2.176 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)Nc1scnc1C1CC1 ZINC000576129067 326271962 /nfs/dbraw/zinc/27/19/62/326271962.db2.gz RDQJRECVRYKXMK-UHFFFAOYSA-N 1 0 303.391 2.071 10 0 DEAERO COc1ncccc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000576890357 326327420 /nfs/dbraw/zinc/32/74/20/326327420.db2.gz UFQKYTBQHVMACH-ZDUSSCGKSA-N 1 0 300.362 2.340 10 0 DEAERO COC[C@H](C)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000188104730 333031612 /nfs/dbraw/zinc/03/16/12/333031612.db2.gz UQDATDOPQPJJDJ-ZWNOBZJWSA-N 1 0 302.212 2.355 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2ccc(F)c(F)c2)C1 ZINC000188892453 333057699 /nfs/dbraw/zinc/05/76/99/333057699.db2.gz XTCPNIGIMIPLEK-CYBMUJFWSA-N 1 0 311.376 2.291 10 0 DEAERO C[C@H]1CCN(C(=O)c2coc(Br)c2)C[C@H]1C[NH3+] ZINC000378894562 333061029 /nfs/dbraw/zinc/06/10/29/333061029.db2.gz BPKWKXYHKCVVKT-WCBMZHEXSA-N 1 0 301.184 2.099 10 0 DEAERO COC[C@@H](C)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000189623188 333164847 /nfs/dbraw/zinc/16/48/47/333164847.db2.gz HWRFMEAACREECS-ZDUSSCGKSA-N 1 0 310.825 2.380 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)c2csc(C(F)(F)F)n2)C1 ZINC000193197842 333304983 /nfs/dbraw/zinc/30/49/83/333304983.db2.gz MMXDNNDVVUSWDY-MRVPVSSYSA-N 1 0 307.341 2.234 10 0 DEAERO Cn1nccc1CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000582229243 336035202 /nfs/dbraw/zinc/03/52/02/336035202.db2.gz YGDMVIYTBLXYDW-AWEZNQCLSA-N 1 0 307.438 2.406 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1c[nH]c(=O)c2ccccc12 ZINC000190380759 336263783 /nfs/dbraw/zinc/26/37/83/336263783.db2.gz VHUZHXPYMGOJDQ-ZDUSSCGKSA-N 1 0 315.417 2.234 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1CC(=O)Nc1cccc(Cl)c1Cl ZINC000389434581 336390962 /nfs/dbraw/zinc/39/09/62/336390962.db2.gz RIPMNKMWPMLNOY-WPRPVWTQSA-N 1 0 302.205 2.353 10 0 DEAERO [NH3+]C1CCC(OCc2nc(-c3ccc4c(c3)CCO4)no2)CC1 ZINC000582593442 337111104 /nfs/dbraw/zinc/11/11/04/337111104.db2.gz HEILADGLPGUMLM-UHFFFAOYSA-N 1 0 315.373 2.458 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000584585414 337369310 /nfs/dbraw/zinc/36/93/10/337369310.db2.gz CUZSUOZVAYOJEV-KRWDZBQOSA-N 1 0 303.406 2.050 10 0 DEAERO C[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cnc(Cl)cc1Cl ZINC000584649036 337380515 /nfs/dbraw/zinc/38/05/15/337380515.db2.gz TUILEJHGGITVQR-QMMMGPOBSA-N 1 0 318.204 2.484 10 0 DEAERO C[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cnc(Cl)cc1Cl ZINC000584649035 337380540 /nfs/dbraw/zinc/38/05/40/337380540.db2.gz TUILEJHGGITVQR-MRVPVSSYSA-N 1 0 318.204 2.484 10 0 DEAERO CC[NH+](CC)CCCNCc1ccc2c(c1)sc(=O)n2C ZINC000192673042 341880522 /nfs/dbraw/zinc/88/05/22/341880522.db2.gz ASGOOKSZRWFTQJ-UHFFFAOYSA-N 1 0 307.463 2.422 10 0 DEAERO C[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)CN1CCOCC1 ZINC000178523973 341957204 /nfs/dbraw/zinc/95/72/04/341957204.db2.gz ABVZKJYJIHJDRM-GTQRCTGISA-N 1 0 324.490 2.043 10 0 DEAERO C[C@H]1CN(CC(=O)NC(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000448552107 533908634 /nfs/dbraw/zinc/90/86/34/533908634.db2.gz MGRVCAOGZAIPNV-MRXNPFEDSA-N 1 0 317.477 2.355 10 0 DEAERO C[C@@H](c1ccc(F)cc1)[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000299752864 534061815 /nfs/dbraw/zinc/06/18/15/534061815.db2.gz VUJYHEAMPUMBJI-SJCJKPOMSA-N 1 0 320.408 2.238 10 0 DEAERO CC(C)(C(=O)NCC1C[NH2+]C1)c1cccc(Br)c1 ZINC000261924475 534325770 /nfs/dbraw/zinc/32/57/70/534325770.db2.gz AQRWANLMTORTNA-UHFFFAOYSA-N 1 0 311.223 2.062 10 0 DEAERO CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000365071340 519510452 /nfs/dbraw/zinc/51/04/52/519510452.db2.gz ZUXHNRSMBQAYCO-FGTMMUONSA-N 1 0 308.466 2.430 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)Cc2cc(C)on2)CC1 ZINC000157765277 519842370 /nfs/dbraw/zinc/84/23/70/519842370.db2.gz PTKVHKDNIQEUNK-UHFFFAOYSA-N 1 0 308.426 2.246 10 0 DEAERO CCCOc1cc(CN2CCO[C@H](C[NH+](C)C)C2)ccc1OC ZINC000128212845 520306783 /nfs/dbraw/zinc/30/67/83/520306783.db2.gz JVSWGSLYHAUAGS-MRXNPFEDSA-N 1 0 322.449 2.246 10 0 DEAERO NC(=O)c1cnccc1N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000302127790 534511428 /nfs/dbraw/zinc/51/14/28/534511428.db2.gz BBMKSCAOHBUSTC-ZDUSSCGKSA-N 1 0 302.422 2.390 10 0 DEAERO CCOC(=O)C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccccc1C ZINC000246740687 520887078 /nfs/dbraw/zinc/88/70/78/520887078.db2.gz ZBUDPTTZUIOMOS-LZWOXQAQSA-N 1 0 318.417 2.233 10 0 DEAERO CCCC[C@H](COC)[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000157119627 521200905 /nfs/dbraw/zinc/20/09/05/521200905.db2.gz GLJDHEYNJPWDFH-GDBMZVCRSA-N 1 0 305.422 2.372 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)C1 ZINC000156494277 521620102 /nfs/dbraw/zinc/62/01/02/521620102.db2.gz MHZVAHXDKYAUNS-GOEBONIOSA-N 1 0 319.449 2.449 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)COc1cccc(C)c1 ZINC000106379358 521630369 /nfs/dbraw/zinc/63/03/69/521630369.db2.gz HEVCNZQIIIYFGV-SJORKVTESA-N 1 0 306.450 2.151 10 0 DEAERO COc1c(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c(C)nn1C ZINC000156685768 521833055 /nfs/dbraw/zinc/83/30/55/521833055.db2.gz XWCAILBPDAJAKH-MRXNPFEDSA-N 1 0 323.824 2.388 10 0 DEAERO CCc1cnc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000237011568 522006460 /nfs/dbraw/zinc/00/64/60/522006460.db2.gz FLKCWFQXBCXROX-UBHSHLNASA-N 1 0 307.463 2.285 10 0 DEAERO CCc1nc(-c2cnccn2)nc(NCC2CC[NH2+]CC2)c1C ZINC000073684348 522149840 /nfs/dbraw/zinc/14/98/40/522149840.db2.gz HSLVMBXCHILKTN-UHFFFAOYSA-N 1 0 312.421 2.216 10 0 DEAERO COc1cc(C)ccc1OCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247041711 522279467 /nfs/dbraw/zinc/27/94/67/522279467.db2.gz IBPALDMTRBGTPR-CABCVRRESA-N 1 0 320.433 2.227 10 0 DEAERO COC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)C1CC1 ZINC000157276438 522750554 /nfs/dbraw/zinc/75/05/54/522750554.db2.gz MXOVYVWUQLVEQS-CPUCHLNUSA-N 1 0 319.449 2.210 10 0 DEAERO O=C(C[C@@H]1CCCCC(=O)N1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000328681154 534687489 /nfs/dbraw/zinc/68/74/89/534687489.db2.gz UYIDTHSYOOMTHX-GJZGRUSLSA-N 1 0 307.438 2.362 10 0 DEAERO CC[C@H]1CN(C(=O)NCC2(C)CCCC2)CC[N@@H+]1CCOC ZINC000117494716 523233194 /nfs/dbraw/zinc/23/31/94/523233194.db2.gz KELWOCBERXLSJD-HNNXBMFYSA-N 1 0 311.470 2.319 10 0 DEAERO CC[C@@H]1CN(CCOc2ccc(OC)cc2)CC[N@@H+]1CCOC ZINC000105835865 523442961 /nfs/dbraw/zinc/44/29/61/523442961.db2.gz QIUALYQYRDEYRI-MRXNPFEDSA-N 1 0 322.449 2.117 10 0 DEAERO CC[C@@H]1CN(Cc2nc(CCC(C)C)no2)CC[N@@H+]1CCOC ZINC000106112988 523459438 /nfs/dbraw/zinc/45/94/38/523459438.db2.gz QCCZQBZULKFTPD-OAHLLOKOSA-N 1 0 324.469 2.201 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000163420652 523834789 /nfs/dbraw/zinc/83/47/89/523834789.db2.gz UJRWBTRGDKFIAA-CABCVRRESA-N 1 0 322.449 2.465 10 0 DEAERO COCC[N@@H+]1CCN(Cc2cc(-c3ccco3)on2)C[C@@H]1C ZINC000105913994 523856857 /nfs/dbraw/zinc/85/68/57/523856857.db2.gz XVPPBTAQIRLFFL-ZDUSSCGKSA-N 1 0 305.378 2.087 10 0 DEAERO CC(=O)Nc1nc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000247929228 534772074 /nfs/dbraw/zinc/77/20/74/534772074.db2.gz BWUYLDHHTWWMGF-JSGCOSHPSA-N 1 0 308.451 2.018 10 0 DEAERO COc1ccccc1/C=C/C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000127649471 524317539 /nfs/dbraw/zinc/31/75/39/524317539.db2.gz LJCLGPYRQALFLX-GQCTYLIASA-N 1 0 315.417 2.198 10 0 DEAERO C[C@@H](CC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1F ZINC000116787499 524357746 /nfs/dbraw/zinc/35/77/46/524357746.db2.gz FIVDOWPCXMHNQD-UONOGXRCSA-N 1 0 308.397 2.108 10 0 DEAERO C[C@H](CNC(=O)NCc1cscn1)[N@H+](C)Cc1ccccc1 ZINC000111482769 524422224 /nfs/dbraw/zinc/42/22/24/524422224.db2.gz RIRWZWAIZCBOFH-CYBMUJFWSA-N 1 0 318.446 2.463 10 0 DEAERO C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc2c(c1)OCO2 ZINC000237477603 525157144 /nfs/dbraw/zinc/15/71/44/525157144.db2.gz FJVJDRYJGAGCSE-LRDDRELGSA-N 1 0 324.380 2.307 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([S@@](C)=O)cc2)CC[N@@H+]1C ZINC000245455806 525244110 /nfs/dbraw/zinc/24/41/10/525244110.db2.gz AYBHQKOGDRAZCM-UZRORNOBSA-N 1 0 323.462 2.370 10 0 DEAERO Cc1cc2c(cc1C)O[C@@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)C2 ZINC000237899539 525594853 /nfs/dbraw/zinc/59/48/53/525594853.db2.gz XBGUTNBYGQSSTH-WMLDXEAASA-N 1 0 302.418 2.113 10 0 DEAERO Cc1ccc([C@@H](C[NH2+]CC2=CCCOC2)N2CCOCC2)s1 ZINC000127120467 525763754 /nfs/dbraw/zinc/76/37/54/525763754.db2.gz AEYRJWSTVVBPQD-MRXNPFEDSA-N 1 0 322.474 2.366 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246734816 534914886 /nfs/dbraw/zinc/91/48/86/534914886.db2.gz ASINWUJJVLCFAI-LSDHHAIUSA-N 1 0 321.469 2.067 10 0 DEAERO C[NH2+]C1CCN(Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000261698548 536440233 /nfs/dbraw/zinc/44/02/33/536440233.db2.gz NYIWGVKRDRCHFW-UHFFFAOYSA-N 1 0 300.349 2.480 10 0 DEAERO c1ncn(Cc2ccccc2C[NH2+][C@@H]2CCCc3n[nH]cc32)n1 ZINC000367613980 526617225 /nfs/dbraw/zinc/61/72/25/526617225.db2.gz GVJPMATZXFQLFB-MRXNPFEDSA-N 1 0 308.389 2.217 10 0 DEAERO CC(=O)N1CCN(CCNc2cc[nH+]c3ccc(C)cc23)CC1 ZINC000302142061 526627620 /nfs/dbraw/zinc/62/76/20/526627620.db2.gz FJNMNLDRCSVBLO-UHFFFAOYSA-N 1 0 312.417 2.119 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422634587 527311794 /nfs/dbraw/zinc/31/17/94/527311794.db2.gz JYBCESMXJLAMMI-ZDUSSCGKSA-N 1 0 315.417 2.044 10 0 DEAERO Cc1nn(C)cc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000188893550 527694512 /nfs/dbraw/zinc/69/45/12/527694512.db2.gz XIIJRZVEAXKVJS-CQSZACIVSA-N 1 0 305.426 2.068 10 0 DEAERO CC(C)OC1CC([NH2+][C@H](C)Cn2ncc3ccccc3c2=O)C1 ZINC000189553490 527882839 /nfs/dbraw/zinc/88/28/39/527882839.db2.gz XPROTJMWCLAZIA-IUDNXUCKSA-N 1 0 315.417 2.331 10 0 DEAERO CC(C)c1cccc(OCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000195330906 528180956 /nfs/dbraw/zinc/18/09/56/528180956.db2.gz CUBXXOGWQJNEQI-MRXNPFEDSA-N 1 0 302.418 2.495 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248943741 529067516 /nfs/dbraw/zinc/06/75/16/529067516.db2.gz ZAZVWRUZQGSRGM-BZUAXINKSA-N 1 0 309.454 2.070 10 0 DEAERO CC(C)Oc1ccc([C@@H](CNC2=[NH+]CCCN2)N(C)C)cc1 ZINC000262319208 535018876 /nfs/dbraw/zinc/01/88/76/535018876.db2.gz QLVKMOIWZXZTQL-MRXNPFEDSA-N 1 0 304.438 2.015 10 0 DEAERO CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262292825 535126642 /nfs/dbraw/zinc/12/66/42/535126642.db2.gz YTJKUKJJVONNOI-SNVBAGLBSA-N 1 0 323.824 2.274 10 0 DEAERO CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246971891 535132543 /nfs/dbraw/zinc/13/25/43/535132543.db2.gz KJBYFLUUJYECNM-LSDHHAIUSA-N 1 0 306.454 2.294 10 0 DEAERO CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1nc(C2CC2)no1 ZINC000261654400 535219139 /nfs/dbraw/zinc/21/91/39/535219139.db2.gz DSILFTFWOKFAQZ-JHJVBQTASA-N 1 0 306.410 2.135 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000246300495 535258958 /nfs/dbraw/zinc/25/89/58/535258958.db2.gz VFGACBOMCKLDIW-ZTFGCOKTSA-N 1 0 315.461 2.325 10 0 DEAERO CCCOc1ccc([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000262042336 535279786 /nfs/dbraw/zinc/27/97/86/535279786.db2.gz QHXIUIPKMAMJNC-WQVCFCJDSA-N 1 0 306.406 2.159 10 0 DEAERO CC1(C)CN(CC(=O)NCc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261666627 535352715 /nfs/dbraw/zinc/35/27/15/535352715.db2.gz KZYYASYVLSMMKY-CQSZACIVSA-N 1 0 309.841 2.015 10 0 DEAERO CC1(C)CN(Cc2nc(CCc3ccccc3)no2)CC[C@@H]1[NH3+] ZINC000261856912 535357101 /nfs/dbraw/zinc/35/71/01/535357101.db2.gz RYRMBNVLSDHYKQ-HNNXBMFYSA-N 1 0 314.433 2.414 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000262324271 535524029 /nfs/dbraw/zinc/52/40/29/535524029.db2.gz SMPFAHYJNRPERU-MLGOLLRUSA-N 1 0 306.410 2.171 10 0 DEAERO CCOc1ccccc1OCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261766991 535534949 /nfs/dbraw/zinc/53/49/49/535534949.db2.gz FNBDMZKDCNMPTI-HNNXBMFYSA-N 1 0 306.406 2.050 10 0 DEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2C[C@H]2c2ccccc2)C1(C)C ZINC000262541413 535536218 /nfs/dbraw/zinc/53/62/18/535536218.db2.gz RDSZMKZWMWOVQX-AFIMGQEJSA-N 1 0 302.418 2.191 10 0 DEAERO CC[NH+](CC)C[C@@H]1CCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000076004804 535585199 /nfs/dbraw/zinc/58/51/99/535585199.db2.gz QSVXEAIUCKTNOS-ZDUSSCGKSA-N 1 0 304.394 2.493 10 0 DEAERO CCN(C(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C)C1CCCCC1 ZINC000247046889 535667573 /nfs/dbraw/zinc/66/75/73/535667573.db2.gz GWMCMZATQDHXAJ-WBVHZDCISA-N 1 0 307.482 2.336 10 0 DEAERO CCOc1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261838231 535701311 /nfs/dbraw/zinc/70/13/11/535701311.db2.gz LKPDVHVTBAYLBP-HNNXBMFYSA-N 1 0 306.406 2.293 10 0 DEAERO CCN(C(C)=O)c1nc(CN2CC[C@H](C)C[C@H]2C[NH3+])cs1 ZINC000261600932 535706719 /nfs/dbraw/zinc/70/67/19/535706719.db2.gz YVFKFNVPXCVYFG-FZMZJTMJSA-N 1 0 310.467 2.075 10 0 DEAERO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC000358457982 535727287 /nfs/dbraw/zinc/72/72/87/535727287.db2.gz SPXIYCMIQSJZAU-IRXDYDNUSA-N 1 0 317.477 2.007 10 0 DEAERO CC[N@@H+]1CC[C@H](NCc2cn(C)nc2C(F)(F)F)[C@@H](C)C1 ZINC000246376014 535769280 /nfs/dbraw/zinc/76/92/80/535769280.db2.gz JQYRYQTWYAMMRG-JQWIXIFHSA-N 1 0 304.360 2.259 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nc(C)ccc1OC ZINC000248719105 535876156 /nfs/dbraw/zinc/87/61/56/535876156.db2.gz CECWONHPTHESOJ-KGLIPLIRSA-N 1 0 318.421 2.489 10 0 DEAERO CCc1noc(C)c1CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000454637168 535881314 /nfs/dbraw/zinc/88/13/14/535881314.db2.gz AHFIFPWUDHDIJF-UHFFFAOYSA-N 1 0 322.453 2.467 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2ccc(C)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247696482 536123611 /nfs/dbraw/zinc/12/36/11/536123611.db2.gz WSWYEINGNOPSSJ-HOCLYGCPSA-N 1 0 305.422 2.304 10 0 DEAERO CN(c1cccnn1)C1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000191333999 536299533 /nfs/dbraw/zinc/29/95/33/536299533.db2.gz HKOHSZZQIKCKLU-QGZVFWFLSA-N 1 0 318.465 2.318 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccn(-c4ccccc4)n3)CC[C@H]21 ZINC000248200532 536380573 /nfs/dbraw/zinc/38/05/73/536380573.db2.gz YNVURJYBRFKQON-CRAIPNDOSA-N 1 0 324.428 2.429 10 0 DEAERO C[N@@H+]1CCC[C@H]1CCN1CCO[C@@H](COc2ccccc2)C1 ZINC000361981533 536390439 /nfs/dbraw/zinc/39/04/39/536390439.db2.gz BTNFZSISSOLCEP-FUHWJXTLSA-N 1 0 304.434 2.251 10 0 DEAERO COC(=O)[C@@H](CC(C)C)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000191888235 536444819 /nfs/dbraw/zinc/44/48/19/536444819.db2.gz PMUZBVLWLKNPEO-QGZVFWFLSA-N 1 0 319.449 2.223 10 0 DEAERO CN(Cc1cc2ccccc2o1)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261703795 536461573 /nfs/dbraw/zinc/46/15/73/536461573.db2.gz BNSZVCOMPUIVGZ-MRXNPFEDSA-N 1 0 302.374 2.145 10 0 DEAERO COC[C@@H](CC(C)C)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000360005868 536592394 /nfs/dbraw/zinc/59/23/94/536592394.db2.gz HMOIPORGCYVWMZ-MRXNPFEDSA-N 1 0 307.438 2.069 10 0 DEAERO COc1cc(C)cc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000246645896 536637422 /nfs/dbraw/zinc/63/74/22/536637422.db2.gz SNMIFUZKZBMSTI-GDBMZVCRSA-N 1 0 317.433 2.382 10 0 DEAERO COC1([C@@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)CCOCC1 ZINC000453221665 536710654 /nfs/dbraw/zinc/71/06/54/536710654.db2.gz YEDORIIRVJSRHT-LLVKDONJSA-N 1 0 316.348 2.357 10 0 DEAERO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246545005 536768233 /nfs/dbraw/zinc/76/82/33/536768233.db2.gz GOYNQDSPJVSFAN-BBRMVZONSA-N 1 0 304.390 2.135 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000261832563 536859690 /nfs/dbraw/zinc/85/96/90/536859690.db2.gz OWACDNBYXQTKJV-CQSZACIVSA-N 1 0 318.417 2.065 10 0 DEAERO COc1ccccc1CCCN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248517702 537028809 /nfs/dbraw/zinc/02/88/09/537028809.db2.gz ALXXJMDFQCFQNE-HOTGVXAUSA-N 1 0 306.450 2.015 10 0 DEAERO O=C(CCn1cccn1)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183170507 625294979 /nfs/dbraw/zinc/29/49/79/625294979.db2.gz SIODHJYHIPVCMU-QGZVFWFLSA-N 1 0 313.401 2.481 10 0 DEAERO COC[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)C1CCOCC1 ZINC000188279800 625445754 /nfs/dbraw/zinc/44/57/54/625445754.db2.gz PZKICOMJXXOYCR-SJORKVTESA-N 1 0 311.397 2.064 10 0 DEAERO O=S(=O)(/C=C\c1ccccc1)NCC[NH+]1CCCCCC1 ZINC000255623472 625532512 /nfs/dbraw/zinc/53/25/12/625532512.db2.gz SDDRTASNSFDEFO-GDNBJRDFSA-N 1 0 308.447 2.453 10 0 DEAERO CC(C)[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)Nc1ccccc1 ZINC000066243470 622739080 /nfs/dbraw/zinc/73/90/80/622739080.db2.gz XADUZNXMWLUXKI-CVEARBPZSA-N 1 0 304.438 2.206 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000177000511 625596636 /nfs/dbraw/zinc/59/66/36/625596636.db2.gz GFZPYCVKWPFGFV-WBVHZDCISA-N 1 0 315.417 2.122 10 0 DEAERO COCCO[C@H]1CCC[N@H+](C[C@H](O)c2cc(C)cc(C)c2)C1 ZINC000179359103 625617717 /nfs/dbraw/zinc/61/77/17/625617717.db2.gz KJOXDFDXTODPQH-ROUUACIJSA-N 1 0 307.434 2.464 10 0 DEAERO CCc1ncsc1C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000160871650 624117503 /nfs/dbraw/zinc/11/75/03/624117503.db2.gz BFDRASLXCGKYGU-LBPRGKRZSA-N 1 0 312.435 2.219 10 0 DEAERO CC(C)S(=O)(=O)CC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000178233239 624521419 /nfs/dbraw/zinc/52/14/19/624521419.db2.gz PCUJOIUPXMAMEX-HNNXBMFYSA-N 1 0 303.468 2.233 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@H]1CSCCS1 ZINC000161329081 624911015 /nfs/dbraw/zinc/91/10/15/624911015.db2.gz ACEPCFXHTMRRDD-STQMWFEESA-N 1 0 304.525 2.318 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1nc(N(C)C)sc1=S ZINC000177160780 625863772 /nfs/dbraw/zinc/86/37/72/625863772.db2.gz KKROYZHPWCQHCW-LLVKDONJSA-N 1 0 315.512 2.114 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000177163483 625867048 /nfs/dbraw/zinc/86/70/48/625867048.db2.gz WBQCGCGVRWFCQT-MAUKXSAKSA-N 1 0 323.481 2.171 10 0 DEAERO COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCC(C)(C)O2)cc1 ZINC000186023766 633000155 /nfs/dbraw/zinc/00/01/55/633000155.db2.gz ZOGQVLSTWVUQJP-HNNXBMFYSA-N 1 0 305.422 2.309 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C)c1ccoc1 ZINC000888099438 635547224 /nfs/dbraw/zinc/54/72/24/635547224.db2.gz ZJPUEGOJKHOKKZ-UMVBOHGHSA-N 1 0 318.421 2.164 10 0 DEAERO C[C@@H]1CN=C(N2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)S1 ZINC000190895508 636216357 /nfs/dbraw/zinc/21/63/57/636216357.db2.gz SQZCGNHNAOPCOK-HIFRSBDPSA-N 1 0 311.495 2.037 10 0 DEAERO CC(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000215105339 636662299 /nfs/dbraw/zinc/66/22/99/636662299.db2.gz RSLVNBSQGXCNTH-GJZGRUSLSA-N 1 0 302.484 2.120 10 0 DEAERO CC[N@H+](C/C=C(\C)C(=O)OC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000748813935 637311686 /nfs/dbraw/zinc/31/16/86/637311686.db2.gz WYIKOKBIDYIBEK-SDNWHVSQSA-N 1 0 318.417 2.330 10 0 DEAERO COC[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000727089308 637735288 /nfs/dbraw/zinc/73/52/88/637735288.db2.gz QOAJENXVUFFUJU-HNNXBMFYSA-N 1 0 323.506 2.426 10 0 DEAERO CCc1noc(CCCC(=O)NCCC2CC[NH+](CC)CC2)n1 ZINC000742098317 638036594 /nfs/dbraw/zinc/03/65/94/638036594.db2.gz KHGAOLAUZZJVOK-UHFFFAOYSA-N 1 0 322.453 2.193 10 0 DEAERO CC(C)CS(=O)(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000742340842 638060780 /nfs/dbraw/zinc/06/07/80/638060780.db2.gz JCASUQICEMKICJ-OAHLLOKOSA-N 1 0 321.446 2.279 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C/C=C(/C)C(=O)OC)C1 ZINC000746501447 638349925 /nfs/dbraw/zinc/34/99/25/638349925.db2.gz LSHALLSWSXDMHK-PONMJGQJSA-N 1 0 310.438 2.123 10 0 DEAERO COC(=O)/C(C)=C/C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000748812792 638593417 /nfs/dbraw/zinc/59/34/17/638593417.db2.gz HQRAYKNLEIGJNN-BRRGMZCASA-N 1 0 300.402 2.174 10 0 DEAERO COC[C@@](C)(CO)[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000749287149 638633331 /nfs/dbraw/zinc/63/33/31/638633331.db2.gz CUTOQHIGGHFHCI-OAHLLOKOSA-N 1 0 309.435 2.104 10 0 DEAERO C[C@H]1C[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CCN1C ZINC000751572819 639439819 /nfs/dbraw/zinc/43/98/19/639439819.db2.gz CKSSGMAJVQOFHP-JSGCOSHPSA-N 1 0 316.367 2.245 10 0 DEAERO O=C(CCCC[NH+]1CCCC1)N1CCC(c2ncc[nH]2)CC1 ZINC000729350652 640490796 /nfs/dbraw/zinc/49/07/96/640490796.db2.gz GGOOBGWPUXZBPE-UHFFFAOYSA-N 1 0 304.438 2.382 10 0 DEAERO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000800973671 645326443 /nfs/dbraw/zinc/32/64/43/645326443.db2.gz PBLQHRGXGJFBHJ-RDBSUJKOSA-N 1 0 300.468 2.296 10 0 DEAERO CC[S@@](=O)CC[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000801723281 645434467 /nfs/dbraw/zinc/43/44/67/645434467.db2.gz VHNABCXNKVDIRU-OAQYLSRUSA-N 1 0 305.447 2.254 10 0 DEAERO O[C@@H]1[C@H](C[NH2+]Cc2ccc(Cl)nc2)CCC12CCOCC2 ZINC000801734107 645435062 /nfs/dbraw/zinc/43/50/62/645435062.db2.gz WEQNJTGKXOVIQI-DZGCQCFKSA-N 1 0 310.825 2.392 10 0 DEAERO C[N@H+](Cc1ccccc1)C1CN(C(=O)Cc2ccc(F)cn2)C1 ZINC000804532978 645785926 /nfs/dbraw/zinc/78/59/26/645785926.db2.gz RCMNBWVJILAGAA-UHFFFAOYSA-N 1 0 313.376 2.106 10 0 DEAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)c(F)c1 ZINC000757183707 645938078 /nfs/dbraw/zinc/93/80/78/645938078.db2.gz GCSOVHIVGHPUJK-BDAKNGLRSA-N 1 0 302.143 2.064 10 0 DEAERO [NH3+]C[C@@H]1CCCCN1c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000044559550 646412436 /nfs/dbraw/zinc/41/24/36/646412436.db2.gz KDUBWWGEUJKXCI-NSHDSACASA-N 1 0 304.362 2.001 10 0 DEAERO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H](O)c2ccccc2Cl)C1 ZINC000156567677 646431314 /nfs/dbraw/zinc/43/13/14/646431314.db2.gz LOIXTLZWCDCIFK-CJNGLKHVSA-N 1 0 310.825 2.174 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)OC[C@@H]3CCCO3)cc2)CC1 ZINC000157889590 646574464 /nfs/dbraw/zinc/57/44/64/646574464.db2.gz PXFIPDGNRKCNKU-KRWDZBQOSA-N 1 0 318.417 2.164 10 0 DEAERO O[C@@H](C[NH2+]C[C@@H]1CSCCS1)c1cc(F)ccc1F ZINC000229602279 646693539 /nfs/dbraw/zinc/69/35/39/646693539.db2.gz MHTJJVRXMODMQE-MFKMUULPSA-N 1 0 305.415 2.436 10 0 DEAERO [NH3+]C1(CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)CCC1 ZINC000230053097 646712522 /nfs/dbraw/zinc/71/25/22/646712522.db2.gz GRDKSOSBATZAAD-RMKNXTFCSA-N 1 0 300.811 2.112 10 0 DEAERO CCCCCC[C@H](C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000061954551 646712623 /nfs/dbraw/zinc/71/26/23/646712623.db2.gz DXGSHRKZHACKOX-HOTGVXAUSA-N 1 0 313.486 2.491 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cncnc1 ZINC000230685002 646743562 /nfs/dbraw/zinc/74/35/62/646743562.db2.gz YRNZBJSKKLHIMN-KBPBESRZSA-N 1 0 306.410 2.260 10 0 DEAERO CCC[C@H]1CC(=O)N(CN2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000173353204 646766927 /nfs/dbraw/zinc/76/69/27/646766927.db2.gz DLAKKMYLMARCKK-KRWDZBQOSA-N 1 0 307.482 2.400 10 0 DEAERO CC[C@@H]1CN(C[C@H](O)c2cc(C)cc(C)c2)CC[N@@H+]1CCOC ZINC000174782671 647346158 /nfs/dbraw/zinc/34/61/58/647346158.db2.gz WJVQDVJSGAHRFM-MOPGFXCFSA-N 1 0 320.477 2.379 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1cnc2cc(F)c(F)cc21 ZINC000153200363 647383145 /nfs/dbraw/zinc/38/31/45/647383145.db2.gz BVOBTBRCBMQGPN-VXGBXAGGSA-N 1 0 306.360 2.441 10 0 DEAERO CC(C)c1nn(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(=S)n1C ZINC000153237478 647393746 /nfs/dbraw/zinc/39/37/46/647393746.db2.gz RSHQWMWKCLJPLU-QWHCGFSZSA-N 1 0 309.483 2.200 10 0 DEAERO CN(Cc1cccs1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000228894702 647406355 /nfs/dbraw/zinc/40/63/55/647406355.db2.gz GDJCQJFTQWDONG-DVOMOZLQSA-N 1 0 308.447 2.239 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C)c2NC(C)=O)C1 ZINC000730935695 647434635 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O=C(CCN1CC[N@@H+]2CCCC[C@@H]2C1)OCc1ccccc1 ZINC000181487513 648674971 /nfs/dbraw/zinc/67/49/71/648674971.db2.gz XXWSKSFSKWWBQU-QGZVFWFLSA-N 1 0 302.418 2.290 10 0 DEAERO C[C@H](CO)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000251146180 648677047 /nfs/dbraw/zinc/67/70/47/648677047.db2.gz XKGCSKXHTXOIAC-IHRRRGAJSA-N 1 0 300.443 2.240 10 0 DEAERO CC1CCN(C(=[NH2+])NCc2nc(Cc3ccccc3)no2)CC1 ZINC000076105349 649037872 /nfs/dbraw/zinc/03/78/72/649037872.db2.gz VDHLRUFVDKCXAM-UHFFFAOYSA-N 1 0 313.405 2.207 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cccc(Cl)n2)C1 ZINC000183258377 649053065 /nfs/dbraw/zinc/05/30/65/649053065.db2.gz XPCXSBWOBDADBP-GFCCVEGCSA-N 1 0 312.797 2.249 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NCc1nc(Br)c[nH]1 ZINC000383294092 685407648 /nfs/dbraw/zinc/40/76/48/685407648.db2.gz NPEFNABGVFQAIY-JTQLQIEISA-N 1 0 303.248 2.238 10 0 DEAERO CN(C1CC([NH3+])C1)S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000384955535 685413085 /nfs/dbraw/zinc/41/30/85/685413085.db2.gz VXBZRWIKULOXAO-SREVYHEPSA-N 1 0 300.811 2.062 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1sc(C)cc1C ZINC000389084171 685432096 /nfs/dbraw/zinc/43/20/96/685432096.db2.gz DYHMDYSKKDVQQK-LBPRGKRZSA-N 1 0 302.465 2.128 10 0 DEAERO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cnn(C)n1 ZINC000389835416 685436177 /nfs/dbraw/zinc/43/61/77/685436177.db2.gz NKIYZRWCZYOWNH-OCCSQVGLSA-N 1 0 323.441 2.083 10 0 DEAERO C[C@H](CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[S@](C)=O ZINC000390746276 685441971 /nfs/dbraw/zinc/44/19/71/685441971.db2.gz QDFOYDQWUWYBCJ-SZUSHISOSA-N 1 0 308.491 2.396 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000093988345 684052112 /nfs/dbraw/zinc/05/21/12/684052112.db2.gz DICQZVRCZNEMOO-HZPDHXFCSA-N 1 0 315.417 2.248 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](Cn3nccc3-c3cccnc3)C2)cn1 ZINC000116258372 684064483 /nfs/dbraw/zinc/06/44/83/684064483.db2.gz CVZCLSXGLCBCFR-HNNXBMFYSA-N 1 0 308.389 2.126 10 0 DEAERO Cn1c(CO)nn(C[N@H+](CC2CC2)C2CCCCC2)c1=S ZINC000120455535 684095874 /nfs/dbraw/zinc/09/58/74/684095874.db2.gz CQFUQZVFAFKHGA-UHFFFAOYSA-N 1 0 310.467 2.446 10 0 DEAERO COC(=O)[C@H]1CN(Cc2cncc(Br)c2)C[C@H]1C ZINC000122844530 684119329 /nfs/dbraw/zinc/11/93/29/684119329.db2.gz PEXUAMLAXJDDLF-SKDRFNHKSA-N 1 0 313.195 2.085 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)Nc2cccnc2Cl)CC[N@@H+]1C ZINC000123809069 684128496 /nfs/dbraw/zinc/12/84/96/684128496.db2.gz FPWUASONHHSHMP-VXGBXAGGSA-N 1 0 310.829 2.088 10 0 DEAERO CC(C)Oc1nn(CN2CC[NH+](C3CC3)CC2)c(=S)s1 ZINC000129064757 684175884 /nfs/dbraw/zinc/17/58/84/684175884.db2.gz QSBZAJQBVWNTBO-UHFFFAOYSA-N 1 0 314.480 2.199 10 0 DEAERO CN(CC(C)(C)C[NH3+])c1nccn2nc(C(F)(F)F)cc12 ZINC000129893589 684183427 /nfs/dbraw/zinc/18/34/27/684183427.db2.gz NFSMMAWUEIUFDH-UHFFFAOYSA-N 1 0 301.316 2.169 10 0 DEAERO O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000130137445 684185537 /nfs/dbraw/zinc/18/55/37/684185537.db2.gz BIMIJDIQKDPUOW-BHYGNILZSA-N 1 0 302.418 2.101 10 0 DEAERO COC[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)C1CCOCC1 ZINC000188279772 684352078 /nfs/dbraw/zinc/35/20/78/684352078.db2.gz PZKICOMJXXOYCR-IAGOWNOFSA-N 1 0 311.397 2.064 10 0 DEAERO COC[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)C1CCOCC1 ZINC000188279720 684352426 /nfs/dbraw/zinc/35/24/26/684352426.db2.gz PZKICOMJXXOYCR-DLBZAZTESA-N 1 0 311.397 2.064 10 0 DEAERO FC(F)(F)c1nn(CN2CC[NH+](C3CC3)CC2)c(=S)s1 ZINC000188656252 684360048 /nfs/dbraw/zinc/36/00/48/684360048.db2.gz LNSOEYKODLUTEQ-UHFFFAOYSA-N 1 0 324.397 2.430 10 0 DEAERO C[C@H]1[C@@H]([NH2+]Cc2cncnc2)CCCN1C(=O)OC(C)(C)C ZINC000189531112 684383541 /nfs/dbraw/zinc/38/35/41/684383541.db2.gz CBLWVEFYGDKFIC-JSGCOSHPSA-N 1 0 306.410 2.354 10 0 DEAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000191690400 684435161 /nfs/dbraw/zinc/43/51/61/684435161.db2.gz PSAFIACGCRDMHA-DJIMGWMZSA-N 1 0 302.418 2.192 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000193494190 685042122 /nfs/dbraw/zinc/04/21/22/685042122.db2.gz HCAWTBZUOBQHFQ-WCQYABFASA-N 1 0 316.430 2.031 10 0 DEAERO O=C1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3Br)N1 ZINC000223169711 685107287 /nfs/dbraw/zinc/10/72/87/685107287.db2.gz GVZRNMBFKUADQJ-ZANVPECISA-N 1 0 309.207 2.305 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1C(=O)C[C@](C)(CC(C)C)C1=O ZINC000245427600 685111177 /nfs/dbraw/zinc/11/11/77/685111177.db2.gz WBQCGCGVRWFCQT-QAPCUYQASA-N 1 0 323.481 2.171 10 0 DEAERO CCn1c(=S)n(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nc1C1CC1 ZINC000247156333 685144047 /nfs/dbraw/zinc/14/40/47/685144047.db2.gz SIKYCZZEHUMHBT-OCCSQVGLSA-N 1 0 321.494 2.437 10 0 DEAERO Cc1ccc(N2CC[C@@H](N3CC[N@@H+]4CCCC[C@H]4C3)C2=O)cc1 ZINC000248339113 685156486 /nfs/dbraw/zinc/15/64/86/685156486.db2.gz IBJOWOMJQXJWFT-ZWKOTPCHSA-N 1 0 313.445 2.270 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1nc(C(F)F)n(C)c1=S ZINC000248386550 685157360 /nfs/dbraw/zinc/15/73/60/685157360.db2.gz MYRPVCPRLRSOSL-UWVGGRQHSA-N 1 0 317.409 2.015 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C)cc3)C2=O)CC[C@H]1C ZINC000251701440 685192123 /nfs/dbraw/zinc/19/21/23/685192123.db2.gz JYQIAAOQTNXMDR-HYVNUMGLSA-N 1 0 302.418 2.457 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H](O)C2CC2)C(C)(C)C1 ZINC000300807063 685226622 /nfs/dbraw/zinc/22/66/22/685226622.db2.gz GNJSQAWITSARAY-KBPBESRZSA-N 1 0 312.454 2.383 10 0 DEAERO CCn1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1cncn1C(C)C ZINC000886079831 691998545 /nfs/dbraw/zinc/99/85/45/691998545.db2.gz JSGVWHYTWZJDGW-HOCLYGCPSA-N 1 0 303.410 2.300 10 0 DEAERO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C/C=C\c2ccco2)cn1 ZINC000886096969 692002941 /nfs/dbraw/zinc/00/29/41/692002941.db2.gz UEMIGKWZLILWEQ-KAQJZCPUSA-N 1 0 314.389 2.119 10 0 DEAERO CC(C)[C@@H](C[NH2+][C@H]1CCCOC1)ONC(=O)OC(C)(C)C ZINC000398704351 790289038 /nfs/dbraw/zinc/28/90/38/790289038.db2.gz SNHMOMGYQOZLHP-QWHCGFSZSA-N 1 0 302.415 2.236 10 0 DEAERO CC(C)[C@@H](C[NH2+][C@@H]1COCC1(C)C)ONC(=O)OC(C)(C)C ZINC000398903253 790296828 /nfs/dbraw/zinc/29/68/28/790296828.db2.gz MHGWYUYURAFAEE-CHWSQXEVSA-N 1 0 316.442 2.482 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1C ZINC000722600916 776578411 /nfs/dbraw/zinc/57/84/11/776578411.db2.gz ODUVWQRKQMQHIN-GXFFZTMASA-N 1 0 316.492 2.340 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1C ZINC000722603539 776580549 /nfs/dbraw/zinc/58/05/49/776580549.db2.gz WTJBQVWRBVAHTB-QPUJVOFHSA-N 1 0 302.465 2.092 10 0 DEAERO CC[C@H]([NH2+]C[C@H](O)COCc1ccccc1)[C@H]1CCCOC1 ZINC000724000065 777218072 /nfs/dbraw/zinc/21/80/72/777218072.db2.gz BWTQUOGBRLWSGB-BZSNNMDCSA-N 1 0 307.434 2.359 10 0 DEAERO C[C@](O)(C[NH2+]C1CCC(C)(O)CC1)C(F)(F)C(F)(F)F ZINC000724100100 777241187 /nfs/dbraw/zinc/24/11/87/777241187.db2.gz BVMVRKDAFWHRRE-RTBKNWGFSA-N 1 0 305.287 2.218 10 0 DEAERO Brc1ccc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000724637147 777417791 /nfs/dbraw/zinc/41/77/91/777417791.db2.gz VCNZXQGTYYAWKH-BNOWGMLFSA-N 1 0 312.207 2.343 10 0 DEAERO Cc1ccc(O)c(C[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)n1 ZINC000724945760 777530606 /nfs/dbraw/zinc/53/06/06/777530606.db2.gz ZKRYASNYFDEAST-GFCCVEGCSA-N 1 0 307.394 2.195 10 0 DEAERO CC[C@H]1c2ccsc2CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000722227410 778511025 /nfs/dbraw/zinc/51/10/25/778511025.db2.gz AWHUSVVQEGKBPV-YPMHNXCESA-N 1 0 314.476 2.139 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c1C ZINC000722570484 778790592 /nfs/dbraw/zinc/79/05/92/778790592.db2.gz ISURMQPFUQWWPY-UHFFFAOYSA-N 1 0 304.481 2.279 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])c1C ZINC000722571403 778791414 /nfs/dbraw/zinc/79/14/14/778791414.db2.gz SOTUOPHCUIOGLC-RYUDHWBXSA-N 1 0 302.465 2.079 10 0 DEAERO COc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cn1 ZINC000721879603 780533740 /nfs/dbraw/zinc/53/37/40/780533740.db2.gz HTTSWMNXDDZBLO-TZMCWYRMSA-N 1 0 321.421 2.435 10 0 DEAERO CCOC1CC2(C[C@@H]2[NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC000721242476 781741773 /nfs/dbraw/zinc/74/17/73/781741773.db2.gz FKPUXQIITRLQIJ-ZLZJIPBDSA-N 1 0 305.418 2.111 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CS(=O)(=O)c1ccc(Br)cc1 ZINC000721110485 783654767 /nfs/dbraw/zinc/65/47/67/783654767.db2.gz CJJIDKFJAITETL-ZJUUUORDSA-N 1 0 318.236 2.078 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c1C ZINC000722594015 787334831 /nfs/dbraw/zinc/33/48/31/787334831.db2.gz OQWPELSDEALVNE-VHSXEESVSA-N 1 0 302.465 2.044 10 0 DEAERO C[C@@](O)(C[NH2+]CC1(C)CCOCC1)C(F)(F)C(F)(F)F ZINC000724038231 787347085 /nfs/dbraw/zinc/34/70/85/787347085.db2.gz XZEZCKZCTUDTID-SNVBAGLBSA-N 1 0 305.287 2.341 10 0 DEAERO C[C@](O)(C[NH2+][C@H]1CO[C@H](C2CC2)C1)C(F)(F)C(F)(F)F ZINC000724093000 787349560 /nfs/dbraw/zinc/34/95/60/787349560.db2.gz KIMIONQTXQMLSF-UTLUCORTSA-N 1 0 303.271 2.092 10 0 DEAERO C[C@@H]1[C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)CCN1Cc1ccccc1 ZINC000724630168 787352241 /nfs/dbraw/zinc/35/22/41/787352241.db2.gz WYVPKGAUBIKGIK-SJQORLFUSA-N 1 0 316.445 2.043 10 0 DEAERO Brc1ccsc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724660515 787352515 /nfs/dbraw/zinc/35/25/15/787352515.db2.gz QINFWSBCRRYNMG-KKZNHRDASA-N 1 0 318.236 2.404 10 0 DEAERO CC1(C)OCC[C@H]1[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000397276855 790169853 /nfs/dbraw/zinc/16/98/53/790169853.db2.gz ZQKRSHNBNZJMAF-OAHLLOKOSA-N 1 0 304.390 2.165 10 0 DEAERO COC(=O)c1coc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000397776232 790218454 /nfs/dbraw/zinc/21/84/54/790218454.db2.gz XDLPDLLRRALUPN-UHFFFAOYSA-N 1 0 324.377 2.023 10 0 DEAERO CC(C)OCC(C)(C)[NH2+]Cc1cn(C)nc1Br ZINC000712410160 792187329 /nfs/dbraw/zinc/18/73/29/792187329.db2.gz YYNMFOZGJIBQGF-UHFFFAOYSA-N 1 0 304.232 2.476 10 0 DEAERO CO[C@@H](C[NH2+]Cc1cn(C)nc1Br)C1CCCC1 ZINC000712459484 792189003 /nfs/dbraw/zinc/18/90/03/792189003.db2.gz OPKQYDYGHQSNOK-LBPRGKRZSA-N 1 0 316.243 2.477 10 0 DEAERO CC(C)[N@@H+](C)C[C@@H](C)NCc1cn(C)nc1Br ZINC000712491036 792190991 /nfs/dbraw/zinc/19/09/91/792190991.db2.gz KZMNMUPWANQUTA-SNVBAGLBSA-N 1 0 303.248 2.001 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000712605143 792191794 /nfs/dbraw/zinc/19/17/94/792191794.db2.gz KLXGPZLOYTVQRO-RBSFLKMASA-N 1 0 311.470 2.316 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713778700 792244503 /nfs/dbraw/zinc/24/45/03/792244503.db2.gz IITNIFWIQBJISR-ONGXEEELSA-N 1 0 313.195 2.060 10 0 DEAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000714243650 792304348 /nfs/dbraw/zinc/30/43/48/792304348.db2.gz DIIKPAHTNZTQBS-KYZUINATSA-N 1 0 324.265 2.176 10 0 DEAERO CCCn1cc(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC000714457320 792322936 /nfs/dbraw/zinc/32/29/36/792322936.db2.gz OAWHQVPTYHPWBE-GFCCVEGCSA-N 1 0 323.441 2.033 10 0 DEAERO CCn1cc(C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)nn1 ZINC000714934304 792358972 /nfs/dbraw/zinc/35/89/72/792358972.db2.gz DOZGGPOTZUCEJR-UHFFFAOYSA-N 1 0 311.430 2.081 10 0 DEAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2ncc(Br)s2)CC1 ZINC000714942205 792360392 /nfs/dbraw/zinc/36/03/92/792360392.db2.gz DHSVQMZLFVPWIW-ZKCHVHJHSA-N 1 0 318.240 2.039 10 0 DEAERO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ncc(Br)s1 ZINC000714945401 792360628 /nfs/dbraw/zinc/36/06/28/792360628.db2.gz ISXZHSQZYQAGHB-JGVFFNPUSA-N 1 0 318.240 2.052 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000715110920 792382940 /nfs/dbraw/zinc/38/29/40/792382940.db2.gz WECLSQIWUHPTIL-JHJVBQTASA-N 1 0 314.426 2.031 10 0 DEAERO CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715152269 792398095 /nfs/dbraw/zinc/39/80/95/792398095.db2.gz AHSKOCYGFBZJTG-UMNHJUIQSA-N 1 0 300.374 2.424 10 0 DEAERO CS(=O)(=O)C1CC([NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000715296769 792413326 /nfs/dbraw/zinc/41/33/26/792413326.db2.gz WGVNNQWWEKXRLH-UHFFFAOYSA-N 1 0 313.366 2.432 10 0 DEAERO O=C(NC12CC[NH+](CC1)C2)c1csc(Br)c1 ZINC000715499897 792470374 /nfs/dbraw/zinc/47/03/74/792470374.db2.gz SCFOVXHVYKNZCB-UHFFFAOYSA-N 1 0 301.209 2.089 10 0 DEAERO C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)c1cn(C)nn1 ZINC000715876279 792529704 /nfs/dbraw/zinc/52/97/04/792529704.db2.gz HWYLXYCKVJRRNM-UHTWSYAYSA-N 1 0 323.441 2.158 10 0 DEAERO C[C@@H](Cc1ccccc1Cl)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716070489 792556626 /nfs/dbraw/zinc/55/66/26/792556626.db2.gz DCUPUDJGMJYAGS-PKSQDBQZSA-N 1 0 301.839 2.436 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000716567731 792973656 /nfs/dbraw/zinc/97/36/56/792973656.db2.gz PNGADEWDGOOYDP-LLVKDONJSA-N 1 0 316.854 2.315 10 0 DEAERO COC[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716619996 792978288 /nfs/dbraw/zinc/97/82/88/792978288.db2.gz JYRDRCPQZVGXLK-RDGPPVDQSA-N 1 0 318.461 2.291 10 0 DEAERO C[C@@H]1CC[C@@H]([NH2+]CC[C@H](O)C(F)F)CN1C(=O)OC(C)(C)C ZINC000716752583 793005481 /nfs/dbraw/zinc/00/54/81/793005481.db2.gz MFNBOQVDCJWKCU-UTUOFQBUSA-N 1 0 322.396 2.380 10 0 DEAERO CC[C@@H](C[C@H](C)O)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000716855369 793010250 /nfs/dbraw/zinc/01/02/50/793010250.db2.gz WMACLXHLBSSNGF-XDQVBPFNSA-N 1 0 300.443 2.429 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]CC[C@@H]2CCC3(CCC3)O2)CC1 ZINC000717176082 799257697 /nfs/dbraw/zinc/25/76/97/799257697.db2.gz WWPWOIJNDUAQGQ-KGLIPLIRSA-N 1 0 301.452 2.035 10 0 DEAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1coc(Br)c1 ZINC000401412699 801826867 /nfs/dbraw/zinc/82/68/67/801826867.db2.gz SNNLDDVJQKFPKY-SNVBAGLBSA-N 1 0 313.195 2.447 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CC2(N(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401658376 801836912 /nfs/dbraw/zinc/83/69/12/801836912.db2.gz WBBYOCMSGKCDTG-KGLIPLIRSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401658380 801837074 /nfs/dbraw/zinc/83/70/74/801837074.db2.gz WBBYOCMSGKCDTG-ZIAGYGMSSA-N 1 0 311.470 2.316 10 0 DEAERO CC1(C)COC[C@H]1[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401952606 801859133 /nfs/dbraw/zinc/85/91/33/801859133.db2.gz VUABDTVPGQIDHQ-HZPDHXFCSA-N 1 0 318.417 2.412 10 0 DEAERO CC(C)(F)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404136921 801996607 /nfs/dbraw/zinc/99/66/07/801996607.db2.gz CZTGRFWHYJMRQP-CVEARBPZSA-N 1 0 320.408 2.236 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc[nH]2)C12CCC2 ZINC000404593327 802025464 /nfs/dbraw/zinc/02/54/64/802025464.db2.gz YZNCHPNRSKIIIR-NEPJUHHUSA-N 1 0 306.410 2.335 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404790433 802030879 /nfs/dbraw/zinc/03/08/79/802030879.db2.gz DRHFHOYMNAJINQ-YVECIDJPSA-N 1 0 300.443 2.285 10 0 DEAERO C[NH+](C)Cc1cccc(NC(=O)Cn2nnc3ccccc32)c1 ZINC000047453446 1078394027 /nfs/dbraw/zinc/39/40/27/1078394027.db2.gz LPCBXODVFQIRMV-UHFFFAOYSA-N 1 0 309.373 2.132 10 0 DEAERO c1nc(CNCCC[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000060523551 1078870252 /nfs/dbraw/zinc/87/02/52/1078870252.db2.gz GDEIWSVJWZBFFL-UHFFFAOYSA-N 1 0 316.474 2.445 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1[NH3+] ZINC000720833038 1086188080 /nfs/dbraw/zinc/18/80/80/1086188080.db2.gz CVVFULGNLRNVOT-JTQLQIEISA-N 1 0 323.245 2.351 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000718557874 1088581713 /nfs/dbraw/zinc/58/17/13/1088581713.db2.gz IMQTZPWXFPWWSW-UHFFFAOYSA-N 1 0 315.186 2.332 10 0 DEAERO Cc1ncc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1C ZINC000721939238 1084717052 /nfs/dbraw/zinc/71/70/52/1084717052.db2.gz KGBFJXLWLLPSQO-CQSZACIVSA-N 1 0 322.453 2.464 10 0 DEAERO CSC1CCC(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)CC1 ZINC000720556137 1085483720 /nfs/dbraw/zinc/48/37/20/1085483720.db2.gz GFDDOGRPIQWMKL-ROKHWSDSSA-N 1 0 305.509 2.465 10 0 DEAERO CC1(C)CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000720749320 1086069693 /nfs/dbraw/zinc/06/96/93/1086069693.db2.gz UFMQJJOZYZDKIK-GWJCSSMESA-N 1 0 314.838 2.310 10 0 DEAERO Cc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c(Cl)c1 ZINC000720837475 1086204177 /nfs/dbraw/zinc/20/41/77/1086204177.db2.gz VFHMQXWVWDBFKH-GFCCVEGCSA-N 1 0 302.827 2.006 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720837577 1086205007 /nfs/dbraw/zinc/20/50/07/1086205007.db2.gz VSLQTZQSSGNMEC-GFCCVEGCSA-N 1 0 302.827 2.006 10 0 DEAERO O=C(c1ccc(Br)o1)N1CCC([NH+]2CCC2)CC1 ZINC000700413043 1086317333 /nfs/dbraw/zinc/31/73/33/1086317333.db2.gz LALKVFHHOSREJJ-UHFFFAOYSA-N 1 0 313.195 2.352 10 0 DEAERO CC[C@@H]1COC[C@H]1[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701867361 1086387595 /nfs/dbraw/zinc/38/75/95/1086387595.db2.gz LMLWJYKZVNPGEV-YXXKGXSTSA-N 1 0 310.438 2.401 10 0 DEAERO CC[C@@H]1COC[C@@H]1[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701867350 1086388362 /nfs/dbraw/zinc/38/83/62/1086388362.db2.gz LMLWJYKZVNPGEV-DLOXAQCQSA-N 1 0 310.438 2.401 10 0 DEAERO O=C(c1ccccc1Br)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000702240486 1086416112 /nfs/dbraw/zinc/41/61/12/1086416112.db2.gz WCACPDSZPFABDC-LLVKDONJSA-N 1 0 309.207 2.369 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)[C@H](C)O1 ZINC000705880531 1086625140 /nfs/dbraw/zinc/62/51/40/1086625140.db2.gz FQMWQHMYYHBPQF-HZSPNIEDSA-N 1 0 316.442 2.025 10 0 DEAERO C[C@@H](CO)C[N@@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC000705925122 1086626809 /nfs/dbraw/zinc/62/68/09/1086626809.db2.gz CDVHHFOBTFQKII-QRQLOZEOSA-N 1 0 302.462 2.459 10 0 DEAERO C[C@H]1CSC[C@@H]1[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000705908008 1086627580 /nfs/dbraw/zinc/62/75/80/1086627580.db2.gz NBXFNVSXKZIVMG-STQMWFEESA-N 1 0 318.483 2.211 10 0 DEAERO Cn1nc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000706155572 1086632685 /nfs/dbraw/zinc/63/26/85/1086632685.db2.gz UNPBUUDGPBFRGO-SCZZXKLOSA-N 1 0 310.751 2.033 10 0 DEAERO C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000706641977 1086643421 /nfs/dbraw/zinc/64/34/21/1086643421.db2.gz FMQCXAYLLXIZDO-UONOGXRCSA-N 1 0 316.442 2.027 10 0 DEAERO C[C@H]1C[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)C1 ZINC000708866293 1086679443 /nfs/dbraw/zinc/67/94/43/1086679443.db2.gz AZRFOOYBVFTQJH-MJBXVCDLSA-N 1 0 302.484 2.072 10 0 DEAERO CON1CCC([NH2+][C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000709386255 1086682292 /nfs/dbraw/zinc/68/22/92/1086682292.db2.gz ZJZOGSOCSWGINY-AWEZNQCLSA-N 1 0 300.468 2.047 10 0 DEAERO Cc1cc(C)n(CCC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000710846918 1086689678 /nfs/dbraw/zinc/68/96/78/1086689678.db2.gz XWJBSQWESOJFRV-UHFFFAOYSA-N 1 0 322.453 2.347 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000710900905 1086690823 /nfs/dbraw/zinc/69/08/23/1086690823.db2.gz DGRCDUBXTJDNBQ-CYBMUJFWSA-N 1 0 314.426 2.127 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000710961468 1086692704 /nfs/dbraw/zinc/69/27/04/1086692704.db2.gz RODPVPFVPVDUJI-IRXDYDNUSA-N 1 0 304.434 2.392 10 0 DEAERO COCCN(Cc1ccccc1)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711335722 1087062215 /nfs/dbraw/zinc/06/22/15/1087062215.db2.gz PVBQQCHDESQAPZ-AEFFLSMTSA-N 1 0 302.418 2.194 10 0 DEAERO C[C@H]1CCC[C@]1(O)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711440495 1087112562 /nfs/dbraw/zinc/11/25/62/1087112562.db2.gz UMONYYWXCKGPQG-ZJOBFFGXSA-N 1 0 312.454 2.430 10 0 DEAERO CCN1CCC[C@H]1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711441365 1087113087 /nfs/dbraw/zinc/11/30/87/1087113087.db2.gz VZHNSWCSHMPUSW-ZNMIVQPWSA-N 1 0 311.470 2.364 10 0 DEAERO CC[C@H](O)CCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711449655 1087117609 /nfs/dbraw/zinc/11/76/09/1087117609.db2.gz KWVPDJAEXOBIJS-MJBXVCDLSA-N 1 0 300.443 2.430 10 0 DEAERO O=C(Cc1ccc(Br)cc1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000711698153 1087190699 /nfs/dbraw/zinc/19/06/99/1087190699.db2.gz NFYVECSDHIBTKH-UKRRQHHQSA-N 1 0 323.234 2.392 10 0 DEAERO C[C@H]1[C@H](NC(=O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000719384326 1089078250 /nfs/dbraw/zinc/07/82/50/1089078250.db2.gz CUCAITFCPATXBO-QPUJVOFHSA-N 1 0 315.186 2.411 10 0 DEAERO C[C@@H]1[C@H](NC(=O)c2cc(F)ccc2Br)CC[N@@H+]1C ZINC000719384269 1089078747 /nfs/dbraw/zinc/07/87/47/1089078747.db2.gz CPDCMGVRCSDJPF-PRHODGIISA-N 1 0 315.186 2.411 10 0 DEAERO COC(OC)C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719950077 1089418034 /nfs/dbraw/zinc/41/80/34/1089418034.db2.gz KLIHKORZYQLCKE-INIZCTEOSA-N 1 0 320.433 2.118 10 0 DEAERO CCc1nn(C)cc1C[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720229974 1089536971 /nfs/dbraw/zinc/53/69/71/1089536971.db2.gz JAUHADAZLYITGE-UHFFFAOYSA-N 1 0 301.259 2.244 10 0 DEAERO CCCOc1ccc([C@H]([NH3+])CSCCS(C)(=O)=O)cc1 ZINC000081768324 192322458 /nfs/dbraw/zinc/32/24/58/192322458.db2.gz BIMLROOUNYNOLF-CQSZACIVSA-N 1 0 317.476 2.253 10 0 DEAERO C[NH2+][C@H](CSCCS(C)(=O)=O)c1cc(C)ccc1C ZINC000081768720 192323292 /nfs/dbraw/zinc/32/32/92/192323292.db2.gz HVMFYKOGLBXQQQ-CQSZACIVSA-N 1 0 301.477 2.342 10 0 DEAERO CC(C)[C@H](SCCS(C)(=O)=O)[C@@H]([NH3+])c1ccccc1 ZINC000081768785 192323527 /nfs/dbraw/zinc/32/35/27/192323527.db2.gz DHCAEKVXLDKFKO-KBPBESRZSA-N 1 0 301.477 2.489 10 0 DEAERO C[N@H+](C[C@H](O)COCc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000076745150 185037965 /nfs/dbraw/zinc/03/79/65/185037965.db2.gz NUMJMAJPBMBEFZ-GJZGRUSLSA-N 1 0 313.825 2.328 10 0 DEAERO C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1Sc1nnnn1C ZINC000081843554 192330071 /nfs/dbraw/zinc/33/00/71/192330071.db2.gz DPADGHGQEFLLGN-MCIONIFRSA-N 1 0 303.435 2.227 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1Sc1nccn1C)OCCO2 ZINC000081841495 192331012 /nfs/dbraw/zinc/33/10/12/192331012.db2.gz OBHVBFGPDCIZBX-QWHCGFSZSA-N 1 0 311.451 2.176 10 0 DEAERO COc1ccc([C@@H]([NH3+])[C@@H](C)Sc2nnnn2C2CC2)cc1 ZINC000081867745 192332959 /nfs/dbraw/zinc/33/29/59/192332959.db2.gz DYWKXAOGPYVCJU-RNCFNFMXSA-N 1 0 305.407 2.197 10 0 DEAERO CCn1c(=O)[nH]nc1S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH2+]C ZINC000081879717 192333829 /nfs/dbraw/zinc/33/38/29/192333829.db2.gz OGHJRMVOZXZBQX-GRYCIOLGSA-N 1 0 312.483 2.486 10 0 DEAERO CCC[NH2+][C@@H](c1ccccc1)[C@H](C)Sc1n[nH]c(=O)n1C ZINC000081880663 192333962 /nfs/dbraw/zinc/33/39/62/192333962.db2.gz NUXHYSJYQMSSRT-WCQYABFASA-N 1 0 306.435 2.330 10 0 DEAERO CCc1ccc([C@@H]([NH2+]C)[C@@H](C)Sc2n[nH]c(=O)n2C)cc1 ZINC000081880541 192334142 /nfs/dbraw/zinc/33/41/42/192334142.db2.gz UTOZSSJACIJDMI-MFKMUULPSA-N 1 0 306.435 2.112 10 0 DEAERO CCC[NH2+][C@H](c1ccccc1)[C@H](C)Sc1n[nH]c(=O)n1C ZINC000081880664 192334669 /nfs/dbraw/zinc/33/46/69/192334669.db2.gz NUXHYSJYQMSSRT-AAEUAGOBSA-N 1 0 306.435 2.330 10 0 DEAERO CSCC[C@H](C)N(C)S(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000162541487 197572916 /nfs/dbraw/zinc/57/29/16/197572916.db2.gz RPCIPWGHRQSZNU-JTQLQIEISA-N 1 0 320.455 2.047 10 0 DEAERO CC(C)C[NH2+]Cc1cc(Cl)ccc1N1CCNC(=O)CC1 ZINC000162545864 197574273 /nfs/dbraw/zinc/57/42/73/197574273.db2.gz WEKOGDVONVUORF-UHFFFAOYSA-N 1 0 309.841 2.412 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000081921886 192339071 /nfs/dbraw/zinc/33/90/71/192339071.db2.gz YHSCOZLAEXEZIV-CVEARBPZSA-N 1 0 311.447 2.234 10 0 DEAERO CC(C)[NH2+][C@](C)(CCCCOCCOC(C)(C)C)C(N)=O ZINC000162935555 197601325 /nfs/dbraw/zinc/60/13/25/197601325.db2.gz FOBOBRQNZIXOSE-MRXNPFEDSA-N 1 0 302.459 2.230 10 0 DEAERO CC[NH2+]Cc1ccc(Cl)cc1N1C[C@@H](CO)OC(C)(C)C1 ZINC000163210781 197617046 /nfs/dbraw/zinc/61/70/46/197617046.db2.gz NKOCOAGJJNYCHF-AWEZNQCLSA-N 1 0 312.841 2.426 10 0 DEAERO Fc1c(Br)ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000625100517 365642801 /nfs/dbraw/zinc/64/28/01/365642801.db2.gz UDNYPQOIEWWBNP-NXEZZACHSA-N 1 0 317.177 2.379 10 0 DEAERO CC(C)C[C@@H](C)OCCS(=O)(=O)c1cccc(C(N)=[NH2+])c1 ZINC000163297060 197621360 /nfs/dbraw/zinc/62/13/60/197621360.db2.gz JPOVYQRXOAHIIK-GFCCVEGCSA-N 1 0 312.435 2.196 10 0 DEAERO COCCn1ncc(Br)c1C[C@@H](C)C[NH2+]C(C)C ZINC000163219308 197618301 /nfs/dbraw/zinc/61/83/01/197618301.db2.gz LYULDTDPPFWRIH-LLVKDONJSA-N 1 0 318.259 2.469 10 0 DEAERO CCC[C@H]1CCN(S(=O)(=O)c2ccc(C[NH2+]C)s2)C1 ZINC000163622477 197641385 /nfs/dbraw/zinc/64/13/85/197641385.db2.gz KEVQFAFIJZFDMJ-NSHDSACASA-N 1 0 302.465 2.278 10 0 DEAERO [NH3+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)c1ccc(F)cc1F ZINC000081932280 192341085 /nfs/dbraw/zinc/34/10/85/192341085.db2.gz RYXRRSHYMNQEBY-HUUCEWRRSA-N 1 0 309.337 2.363 10 0 DEAERO CC[C@H]([NH3+])[C@H](C)S(=O)(=O)c1ccccc1Br ZINC000081931518 192341121 /nfs/dbraw/zinc/34/11/21/192341121.db2.gz HYTQGPJMFATWTD-WPRPVWTQSA-N 1 0 306.225 2.349 10 0 DEAERO CC[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1Br ZINC000081931838 192341688 /nfs/dbraw/zinc/34/16/88/192341688.db2.gz YAHGKPLDQJSXLR-VIFPVBQESA-N 1 0 306.225 2.221 10 0 DEAERO CC[NH2+][C@@H](C)CCCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935421 192342829 /nfs/dbraw/zinc/34/28/29/192342829.db2.gz IFNVGCDURZYMSG-LBPRGKRZSA-N 1 0 313.419 2.010 10 0 DEAERO Cn1c(C[NH3+])nnc1-c1cc(Br)ccc1Cl ZINC000164627643 197658899 /nfs/dbraw/zinc/65/88/99/197658899.db2.gz UHBRIXDJFHOYJL-UHFFFAOYSA-N 1 0 301.575 2.357 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000152391606 282143474 /nfs/dbraw/zinc/14/34/74/282143474.db2.gz KZOMPYQOFSMACJ-DOTOQJQBSA-N 1 0 323.481 2.317 10 0 DEAERO CC[NH2+][C@@H](CC)[C@@H](C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935444 192343080 /nfs/dbraw/zinc/34/30/80/192343080.db2.gz JXJKRZJZAPGQPN-YPMHNXCESA-N 1 0 313.419 2.008 10 0 DEAERO CC[C@@H]1CN(CCOc2cccc(OC)c2)CC[N@@H+]1CCOC ZINC000152612389 282149459 /nfs/dbraw/zinc/14/94/59/282149459.db2.gz LORSJXZWWFSYJN-MRXNPFEDSA-N 1 0 322.449 2.117 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000079348555 185165800 /nfs/dbraw/zinc/16/58/00/185165800.db2.gz OVEDHQBKJJZWFZ-GJZGRUSLSA-N 1 0 302.484 2.361 10 0 DEAERO CC[C@@H]1CN(c2nc(CC(C)C)ns2)CC[N@@H+]1C[C@@H](C)O ZINC000302311266 529402887 /nfs/dbraw/zinc/40/28/87/529402887.db2.gz SPKFAMNHONWWLJ-CHWSQXEVSA-N 1 0 312.483 2.018 10 0 DEAERO CC[C@H](C)[C@@H](NC(=O)CC[C@@H](CC[NH3+])C(C)C)C(=O)OC ZINC000079276428 185163036 /nfs/dbraw/zinc/16/30/36/185163036.db2.gz UYYSOLNSFJPKMX-KCQAQPDRSA-N 1 0 300.443 2.092 10 0 DEAERO COCCN(Cc1cccs1)C(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079528588 185173856 /nfs/dbraw/zinc/17/38/56/185173856.db2.gz YKLFSDZYFFJLOB-OSRDXIQISA-N 1 0 308.447 2.097 10 0 DEAERO COC(=O)CS(=O)(=O)[C@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000081976055 192347458 /nfs/dbraw/zinc/34/74/58/192347458.db2.gz OQMXAQCYJXOAEZ-KGLIPLIRSA-N 1 0 319.467 2.185 10 0 DEAERO CCOc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000153713935 282173419 /nfs/dbraw/zinc/17/34/19/282173419.db2.gz CGDYNRCQEKSTER-DZGCQCFKSA-N 1 0 318.421 2.428 10 0 DEAERO O=C(c1ccc(I)cc1)[C@@H]1CCC[NH2+]1 ZINC000082954549 185209564 /nfs/dbraw/zinc/20/95/64/185209564.db2.gz SRRJFVVYAGWFTN-JTQLQIEISA-N 1 0 301.127 2.226 10 0 DEAERO C[C@@H]1C[NH2+]CCN1c1ccc(I)cc1 ZINC000083086697 185212881 /nfs/dbraw/zinc/21/28/81/185212881.db2.gz PORBGDHBZPRRNY-SECBINFHSA-N 1 0 302.159 2.089 10 0 DEAERO CC[C@H]1C[NH2+]CCN1c1ccccc1I ZINC000083086712 185212998 /nfs/dbraw/zinc/21/29/98/185212998.db2.gz VBAGBOLHKSTBQQ-JTQLQIEISA-N 1 0 316.186 2.479 10 0 DEAERO C[C@H]1C[NH2+]CCN1c1ccccc1I ZINC000083086710 185213013 /nfs/dbraw/zinc/21/30/13/185213013.db2.gz BDMGYNJTTNNQHR-VIFPVBQESA-N 1 0 302.159 2.089 10 0 DEAERO O=c1[nH]ccnc1N1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000328646617 231281285 /nfs/dbraw/zinc/28/12/85/231281285.db2.gz STHRVYTYACHYOR-HNNXBMFYSA-N 1 0 323.400 2.422 10 0 DEAERO CC(C)[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000087404449 185223810 /nfs/dbraw/zinc/22/38/10/185223810.db2.gz AQFWZNSONZCRGS-JTQLQIEISA-N 1 0 311.234 2.255 10 0 DEAERO Cc1nnc([C@H]2CCCCN2C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)[nH]1 ZINC000328703917 231313879 /nfs/dbraw/zinc/31/38/79/231313879.db2.gz YCDVQXBSZSHOBP-MBNYWOFBSA-N 1 0 305.426 2.040 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000087455302 185225529 /nfs/dbraw/zinc/22/55/29/185225529.db2.gz QWMVMVALRJFXNG-JTQLQIEISA-N 1 0 308.451 2.240 10 0 DEAERO C[C@H](Cn1c(N)[nH+]c2ccc(Br)cc21)[S@@](C)=O ZINC000165574453 197677315 /nfs/dbraw/zinc/67/73/15/197677315.db2.gz HHYJKSLGVVFLFH-GJEGPGMTSA-N 1 0 316.224 2.148 10 0 DEAERO COC[C@@H](C)[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000173497969 282190490 /nfs/dbraw/zinc/19/04/90/282190490.db2.gz SRNUNGMQFWRFPT-CQSZACIVSA-N 1 0 312.841 2.371 10 0 DEAERO COc1ccc(NC(=O)[C@H](C[NH3+])C(C)C)cc1OC(F)F ZINC000087522231 185227719 /nfs/dbraw/zinc/22/77/19/185227719.db2.gz BGRYKLPVQMTUMK-SNVBAGLBSA-N 1 0 302.321 2.466 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000087532710 185227786 /nfs/dbraw/zinc/22/77/86/185227786.db2.gz JGNNPQAPTSYPRR-VIFPVBQESA-N 1 0 310.419 2.337 10 0 DEAERO CC1(C)CCCN(S(=O)(=O)CCC2CC[NH2+]CC2)CC1 ZINC000087658373 185229929 /nfs/dbraw/zinc/22/99/29/185229929.db2.gz HHHQYZDBCMGFMC-UHFFFAOYSA-N 1 0 302.484 2.218 10 0 DEAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000087694069 185230586 /nfs/dbraw/zinc/23/05/86/185230586.db2.gz MFMWIWNHVBDVQF-NWDGAFQWSA-N 1 0 312.435 2.182 10 0 DEAERO C[C@@H]1CCCCCN1c1nc(NN)[nH+]cc1Br ZINC000087879542 185234504 /nfs/dbraw/zinc/23/45/04/185234504.db2.gz KVZVBJBDTNODKK-MRVPVSSYSA-N 1 0 300.204 2.294 10 0 DEAERO COCC[NH2+]Cc1ccc(OCOC)c(Br)c1 ZINC000087888196 185234730 /nfs/dbraw/zinc/23/47/30/185234730.db2.gz ACJCHMSLLPUTCV-UHFFFAOYSA-N 1 0 304.184 2.168 10 0 DEAERO [NH3+]C[C@@H](NCC1CC1)c1cc2c(c(Br)c1)OCO2 ZINC000087912275 185237231 /nfs/dbraw/zinc/23/72/31/185237231.db2.gz RUKICFYVFFPHAZ-LLVKDONJSA-N 1 0 313.195 2.177 10 0 DEAERO COc1ccc(C[C@](C)(C[NH3+])[C@@H](C)O)cc1Br ZINC000087932045 185237545 /nfs/dbraw/zinc/23/75/45/185237545.db2.gz YVXXWCNDOKPNRU-NOZJJQNGSA-N 1 0 302.212 2.346 10 0 DEAERO C[C@H](C[NH3+])C[S@@](=O)Cc1cc(F)cc(Br)c1 ZINC000088089303 185239430 /nfs/dbraw/zinc/23/94/30/185239430.db2.gz HWKBGHRKXMYTBW-BCTVWOGZSA-N 1 0 308.216 2.432 10 0 DEAERO COc1ccc(Br)c(C[C@@H]([NH3+])[C@H]2CCOC2)c1 ZINC000087804341 185232485 /nfs/dbraw/zinc/23/24/85/185232485.db2.gz YUJRHSWSWZNZMV-TVQRCGJNSA-N 1 0 300.196 2.364 10 0 DEAERO CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C12CCCC2 ZINC000173513273 282190935 /nfs/dbraw/zinc/19/09/35/282190935.db2.gz IVZXMJORLQNAQA-BZUAXINKSA-N 1 0 321.465 2.214 10 0 DEAERO COCC[N@H+](Cc1ccc2nc(N)sc2c1)[C@@H](C)COC ZINC000087848107 185233444 /nfs/dbraw/zinc/23/34/44/185233444.db2.gz UIJYNERWZGPLSQ-NSHDSACASA-N 1 0 309.435 2.362 10 0 DEAERO Cc1ccc(CN(C)c2nc(NN)[nH+]cc2Br)o1 ZINC000087853577 185233572 /nfs/dbraw/zinc/23/35/72/185233572.db2.gz FEZJZMBZTCKLJF-UHFFFAOYSA-N 1 0 312.171 2.063 10 0 DEAERO Cc1c(NCc2cccc(Br)c2)nc[nH+]c1NN ZINC000087864108 185233902 /nfs/dbraw/zinc/23/39/02/185233902.db2.gz MVXXPGPHJKXAPT-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO O=C(C[NH2+]C1CC1)Nc1c(F)cc(Br)cc1F ZINC000088168596 185240842 /nfs/dbraw/zinc/24/08/42/185240842.db2.gz RFUHYCOUPYKETL-UHFFFAOYSA-N 1 0 305.122 2.418 10 0 DEAERO C[NH2+]Cc1cn(-c2cc(Cl)ccc2Br)nn1 ZINC000088123794 185240019 /nfs/dbraw/zinc/24/00/19/185240019.db2.gz AISGRALXCBRDQR-UHFFFAOYSA-N 1 0 301.575 2.403 10 0 DEAERO COC(=O)[C@H](C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(C)=O ZINC000088118496 185240057 /nfs/dbraw/zinc/24/00/57/185240057.db2.gz KAJZXWCXGDQMPV-HZMBPMFUSA-N 1 0 312.797 2.011 10 0 DEAERO CC(C)C[NH2+]Cc1nnnn1-c1c2nsnc2ccc1Cl ZINC000088127764 185240315 /nfs/dbraw/zinc/24/03/15/185240315.db2.gz VEUDONNRNJFDRC-UHFFFAOYSA-N 1 0 323.813 2.066 10 0 DEAERO CC[NH+](CC)CC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000088250381 185243463 /nfs/dbraw/zinc/24/34/63/185243463.db2.gz IMGLKZYSRNKDAA-LBPRGKRZSA-N 1 0 311.376 2.002 10 0 DEAERO CC(C)c1nnsc1C(=O)N1CC[NH2+]CC12CCCCC2 ZINC000088396101 185248391 /nfs/dbraw/zinc/24/83/91/185248391.db2.gz HBWLOSKJFJUQTQ-UHFFFAOYSA-N 1 0 308.451 2.410 10 0 DEAERO Nc1cc(F)cc(SC[C@@H](O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000088398607 185248530 /nfs/dbraw/zinc/24/85/30/185248530.db2.gz OSEYBQLLJWDTNK-HZPDHXFCSA-N 1 0 306.406 2.431 10 0 DEAERO CCOC(=O)[C@@](C)(N)C[C@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000088435424 185250302 /nfs/dbraw/zinc/25/03/02/185250302.db2.gz PZGGVLMNQIUUBC-GWCFXTLKSA-N 1 0 310.360 2.320 10 0 DEAERO CCOC(=O)[C@](C)(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)NC ZINC000088435331 185250443 /nfs/dbraw/zinc/25/04/43/185250443.db2.gz FUHMZKPFXFOCFL-AAEUAGOBSA-N 1 0 310.360 2.192 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C(C)C)o1 ZINC000088543865 185256886 /nfs/dbraw/zinc/25/68/86/185256886.db2.gz KIFAHOYBTXNGSZ-LBPRGKRZSA-N 1 0 302.440 2.443 10 0 DEAERO CCCCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC2)o1 ZINC000088543566 185256938 /nfs/dbraw/zinc/25/69/38/185256938.db2.gz ZACDKTONPXATRH-UHFFFAOYSA-N 1 0 300.424 2.342 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@@H](C)CC(C)C)o1 ZINC000088544374 185256940 /nfs/dbraw/zinc/25/69/40/185256940.db2.gz AGLIMYLQHCWSLK-LBPRGKRZSA-N 1 0 302.440 2.444 10 0 DEAERO CCOC1([C@H](Cc2cn3ccsc3n2)[NH2+]C)CCOCC1 ZINC000165729421 197681128 /nfs/dbraw/zinc/68/11/28/197681128.db2.gz AQQSHDNBDBARPK-ZDUSSCGKSA-N 1 0 309.435 2.112 10 0 DEAERO C[C@@H]1CCC[C@@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000088539575 185255529 /nfs/dbraw/zinc/25/55/29/185255529.db2.gz GITUKNBNBGBCBB-NEPJUHHUSA-N 1 0 300.424 2.233 10 0 DEAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H]1C ZINC000088540949 185255692 /nfs/dbraw/zinc/25/56/92/185255692.db2.gz YGJUIRQACPYPKM-NQBHXWOUSA-N 1 0 300.424 2.054 10 0 DEAERO C[NH2+][C@@H]1CCC[C@@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982647 192348727 /nfs/dbraw/zinc/34/87/27/192348727.db2.gz LDKJXTCJKQPJJX-NEPJUHHUSA-N 1 0 318.236 2.363 10 0 DEAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1S(=O)(=O)CCCOC ZINC000081986422 192348997 /nfs/dbraw/zinc/34/89/97/192348997.db2.gz AUPXOGLPCURXGY-ILXRZTDVSA-N 1 0 305.484 2.241 10 0 DEAERO CC[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)c2ccccc2C)C1 ZINC000088714740 185262816 /nfs/dbraw/zinc/26/28/16/185262816.db2.gz GIAVZJXBBYBWIF-CABCVRRESA-N 1 0 310.463 2.394 10 0 DEAERO CCn1ncnc1COc1ccc(C[NH3+])cc1C(F)(F)F ZINC000088585740 185258360 /nfs/dbraw/zinc/25/83/60/185258360.db2.gz HVZBZYJXBWVQCP-UHFFFAOYSA-N 1 0 300.284 2.355 10 0 DEAERO CC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2C)C1 ZINC000088714736 185262897 /nfs/dbraw/zinc/26/28/97/185262897.db2.gz GIAVZJXBBYBWIF-LSDHHAIUSA-N 1 0 310.463 2.394 10 0 DEAERO CCn1ncnc1C[C@@H](Cc1ccc(Br)cc1)[NH2+]C ZINC000088610371 185260125 /nfs/dbraw/zinc/26/01/25/185260125.db2.gz YPGJQMBUPOYSJP-CYBMUJFWSA-N 1 0 323.238 2.434 10 0 DEAERO CCn1ncnc1C[C@H](C[NH3+])Cc1cccc(Br)c1 ZINC000088620044 185260191 /nfs/dbraw/zinc/26/01/91/185260191.db2.gz HBPPLWPUGOECKQ-GFCCVEGCSA-N 1 0 323.238 2.421 10 0 DEAERO Cc1ccc2c(N)c(C(=O)NCC[NH+]3CCCC3)sc2n1 ZINC000088643148 185261270 /nfs/dbraw/zinc/26/12/70/185261270.db2.gz JNEYAZXZZLLPCZ-UHFFFAOYSA-N 1 0 304.419 2.013 10 0 DEAERO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000088776116 185265479 /nfs/dbraw/zinc/26/54/79/185265479.db2.gz JJUQAFAJISYETL-KCJUWKMLSA-N 1 0 300.280 2.113 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000088716890 185263073 /nfs/dbraw/zinc/26/30/73/185263073.db2.gz FZVTZVIKGGPGQU-AWEZNQCLSA-N 1 0 308.447 2.148 10 0 DEAERO C[NH2+][C@H](C)[C@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000081982671 192349988 /nfs/dbraw/zinc/34/99/88/192349988.db2.gz DJCBZUIQSFGMRZ-BDAKNGLRSA-N 1 0 306.225 2.219 10 0 DEAERO CCCc1ccc([C@H]([NH3+])CS(=O)(=O)C2CCOCC2)cc1 ZINC000081989947 192350488 /nfs/dbraw/zinc/35/04/88/192350488.db2.gz RYDSCAWQFOHGCP-MRXNPFEDSA-N 1 0 311.447 2.233 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000341655835 282218147 /nfs/dbraw/zinc/21/81/47/282218147.db2.gz XREPMWAOTGVTKL-NNXHMXCWSA-N 1 0 323.481 2.194 10 0 DEAERO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C)C2=O)cnn1-c1ccc(F)cc1 ZINC000090074620 185280810 /nfs/dbraw/zinc/28/08/10/185280810.db2.gz SAGUDYHUDOXRNB-MEDUHNTESA-N 1 0 316.380 2.201 10 0 DEAERO CC[NH2+][C@H]1CCCCCC[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081990076 192350764 /nfs/dbraw/zinc/35/07/64/192350764.db2.gz MWCRVSOHRPCKPB-LSDHHAIUSA-N 1 0 303.468 2.281 10 0 DEAERO COc1ccc2c(c1)CC[C@@H](S(=O)(=O)C1CCCC1)[C@H]2[NH3+] ZINC000081988640 192350857 /nfs/dbraw/zinc/35/08/57/192350857.db2.gz VHHOAPGJIFAKND-CVEARBPZSA-N 1 0 309.431 2.367 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)C1(OC)CCC(C)CC1 ZINC000165903655 197684481 /nfs/dbraw/zinc/68/44/81/197684481.db2.gz CEAIQXYHOYPMCN-SHARSMKWSA-N 1 0 305.484 2.385 10 0 DEAERO C[NH2+][C@H]1CCC2(C[C@H]1[S@](=O)[C@@H]1CCC[C@@H](C)C1)OCCO2 ZINC000081995375 192351859 /nfs/dbraw/zinc/35/18/59/192351859.db2.gz WJWTVWZDACOMFM-WZLMPAMKSA-N 1 0 315.479 2.197 10 0 DEAERO [NH3+][C@H](C[S@](=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000082001210 192353301 /nfs/dbraw/zinc/35/33/01/192353301.db2.gz KHSQXXOSPLWHSI-SPLOXXLWSA-N 1 0 303.383 2.265 10 0 DEAERO CCCN(CC(=O)Nc1ncc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000090293471 185289773 /nfs/dbraw/zinc/28/97/73/185289773.db2.gz AKMIWHKBCFJKRE-UHFFFAOYSA-N 1 0 317.220 2.011 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)COc1cccc(Cl)c1 ZINC000090336138 185291508 /nfs/dbraw/zinc/29/15/08/185291508.db2.gz ZRWXTMZVMJJYHL-FZMZJTMJSA-N 1 0 308.809 2.175 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000090335505 185291723 /nfs/dbraw/zinc/29/17/23/185291723.db2.gz ZXFDLSZONKZOQU-JGVFFNPUSA-N 1 0 302.205 2.392 10 0 DEAERO C[C@@H](C[NH3+])CSCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000090349550 185292118 /nfs/dbraw/zinc/29/21/18/185292118.db2.gz SNRITQKWNFZTDE-JTQLQIEISA-N 1 0 307.868 2.442 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000090489274 185298853 /nfs/dbraw/zinc/29/88/53/185298853.db2.gz YIZGNPJEBVNMFN-LPEHRKFASA-N 1 0 302.827 2.203 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)cc1OC ZINC000090514217 185299955 /nfs/dbraw/zinc/29/99/55/185299955.db2.gz MYAHBAAIHJNCKC-OSRJUQGESA-N 1 0 313.463 2.382 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000188341942 282224744 /nfs/dbraw/zinc/22/47/44/282224744.db2.gz RNBXCMYZZDSSBA-STQMWFEESA-N 1 0 300.410 2.166 10 0 DEAERO Cc1nc(-c2ccc(NC(=O)[C@H]3COC[C@@H]3[NH3+])cc2)cs1 ZINC000090383767 185293831 /nfs/dbraw/zinc/29/38/31/185293831.db2.gz XRQXSSPUZHSRHB-STQMWFEESA-N 1 0 303.387 2.031 10 0 DEAERO C[C@@]1(C(=O)Nc2ccccc2SC(F)F)COC[C@H]1[NH3+] ZINC000090580456 185304977 /nfs/dbraw/zinc/30/49/77/185304977.db2.gz MLDGCCXMDSONKD-ZWNOBZJWSA-N 1 0 302.346 2.304 10 0 DEAERO [NH3+]C[C@@H](Cc1cccc(F)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000166712927 197697119 /nfs/dbraw/zinc/69/71/19/197697119.db2.gz GLOVWBPKWANUSB-GHMZBOCLSA-N 1 0 305.802 2.031 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CC(C)C)CC(F)(F)F ZINC000090542016 185301842 /nfs/dbraw/zinc/30/18/42/185301842.db2.gz GOHXJOGHCGGMFM-NWDGAFQWSA-N 1 0 310.360 2.048 10 0 DEAERO Cc1noc(C)c1C(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700909 185310393 /nfs/dbraw/zinc/31/03/93/185310393.db2.gz RHRQERZSHCTBBO-CQSZACIVSA-N 1 0 323.462 2.335 10 0 DEAERO Cc1nc(C)c(C(=O)N2CCCSC[C@@H]2C[NH+](C)C)s1 ZINC000090700060 185310601 /nfs/dbraw/zinc/31/06/01/185310601.db2.gz TXDKCZNCHLGXSG-LBPRGKRZSA-N 1 0 313.492 2.269 10 0 DEAERO COC(C[C@@H](C[NH3+])Nc1cccc(Br)c1)OC ZINC000090625446 185307228 /nfs/dbraw/zinc/30/72/28/185307228.db2.gz SZCCISSSJWPOEO-NSHDSACASA-N 1 0 303.200 2.197 10 0 DEAERO CC(C)[C@@H](CO)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000092395282 185315839 /nfs/dbraw/zinc/31/58/39/185315839.db2.gz HGFZNQWKUWYWHK-OLZOCXBDSA-N 1 0 302.212 2.089 10 0 DEAERO CC(C)[C@@H](CO)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000092395285 185316049 /nfs/dbraw/zinc/31/60/49/185316049.db2.gz HGFZNQWKUWYWHK-CHWSQXEVSA-N 1 0 302.212 2.089 10 0 DEAERO COc1ccc(Br)cc1C[S@](=O)C[C@H](C)C[NH3+] ZINC000167295138 197706258 /nfs/dbraw/zinc/70/62/58/197706258.db2.gz ZQNJIXNFQCHARD-XLFHBGCDSA-N 1 0 320.252 2.301 10 0 DEAERO CC[C@](C)([C@H](O)Cc1cncc(Br)c1)[NH+](C)C ZINC000167331271 197706908 /nfs/dbraw/zinc/70/69/08/197706908.db2.gz MSOFFULVLSBFMJ-CHWSQXEVSA-N 1 0 301.228 2.478 10 0 DEAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1nc(C)c(C)[nH]c1=O ZINC000092497143 185322447 /nfs/dbraw/zinc/32/24/47/185322447.db2.gz XAARHPXTXXRZJG-UHFFFAOYSA-N 1 0 314.389 2.009 10 0 DEAERO CC[C@H]1CN(c2ccccc2)CCN1C(=O)C[NH+](CC)CC ZINC000184270582 282250753 /nfs/dbraw/zinc/25/07/53/282250753.db2.gz BBWGRJACSKAIIW-INIZCTEOSA-N 1 0 303.450 2.456 10 0 DEAERO CC[NH+](CC)CCn1c2ccccc2nc1-n1nc(C)cc1N ZINC000006869570 190626149 /nfs/dbraw/zinc/62/61/49/190626149.db2.gz FRBGCEZJPUWIFR-UHFFFAOYSA-N 1 0 312.421 2.454 10 0 DEAERO CN(CC[NH+]1CCCC1)c1cc2c(cc1Cl)C(=O)C(=O)N2 ZINC000092772648 185339661 /nfs/dbraw/zinc/33/96/61/185339661.db2.gz GOPLFNPKOUPNJO-UHFFFAOYSA-N 1 0 307.781 2.007 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cnc3ccccn23)C12CCOCC2 ZINC000185663394 282264118 /nfs/dbraw/zinc/26/41/18/282264118.db2.gz NKCGHIYWHBMHIR-CVEARBPZSA-N 1 0 315.417 2.398 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2O)CCCC3)C1 ZINC000185425084 282262179 /nfs/dbraw/zinc/26/21/79/282262179.db2.gz DRYOWQYQMGWDPY-ZDUSSCGKSA-N 1 0 302.418 2.343 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)NCC[N@H+](C)C2CCCC2)no1 ZINC000442159466 529711970 /nfs/dbraw/zinc/71/19/70/529711970.db2.gz XQFGAVDYYSIHKY-UHFFFAOYSA-N 1 0 323.441 2.041 10 0 DEAERO CCc1nc(CN(Cc2scnc2C)C[C@@H]2CC[NH2+]C2)no1 ZINC000261680634 529735664 /nfs/dbraw/zinc/73/56/64/529735664.db2.gz QOKHQEJLFJWLJB-GFCCVEGCSA-N 1 0 321.450 2.009 10 0 DEAERO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)CC1(CO)CC1 ZINC000186794714 282284564 /nfs/dbraw/zinc/28/45/64/282284564.db2.gz RBRAKYHVHHZFJY-UHFFFAOYSA-N 1 0 318.461 2.438 10 0 DEAERO CC(C)(C)c1ccc2c(c1)CCN2C(=O)CN1CCC([NH3+])CC1 ZINC000097019812 185398184 /nfs/dbraw/zinc/39/81/84/185398184.db2.gz MZPKIUYEOJKAHN-UHFFFAOYSA-N 1 0 315.461 2.296 10 0 DEAERO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@H](O)CSC ZINC000187805907 282290917 /nfs/dbraw/zinc/29/09/17/282290917.db2.gz MGTNWLOZWRILAB-HIFRSBDPSA-N 1 0 311.447 2.022 10 0 DEAERO C[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)CC1(CO)CC1 ZINC000190028114 529944128 /nfs/dbraw/zinc/94/41/28/529944128.db2.gz BVIUVOSPPVJTGT-ZDUSSCGKSA-N 1 0 317.351 2.313 10 0 DEAERO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CCOCC2CC2)n1C ZINC000328656519 529944257 /nfs/dbraw/zinc/94/42/57/529944257.db2.gz ZJTCVDSPOXZSCE-INIZCTEOSA-N 1 0 319.449 2.338 10 0 DEAERO C[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCOC1 ZINC000443622937 529961799 /nfs/dbraw/zinc/96/17/99/529961799.db2.gz XXLMOLLPAGIWLZ-QWHCGFSZSA-N 1 0 303.324 2.330 10 0 DEAERO COCCN1CCC[N@@H+]([C@H](C)CCc2cccc(F)c2)CC1=O ZINC000191704212 282334102 /nfs/dbraw/zinc/33/41/02/282334102.db2.gz YJTABABGRICTGL-OAHLLOKOSA-N 1 0 322.424 2.328 10 0 DEAERO CC[NH2+][C@@H](C)c1cc(Br)ccc1OCC(=O)NC ZINC000052067346 190681587 /nfs/dbraw/zinc/68/15/87/190681587.db2.gz VXRWOSOOKQQRTK-VIFPVBQESA-N 1 0 315.211 2.244 10 0 DEAERO C[C@@H](O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000085989350 539403315 /nfs/dbraw/zinc/40/33/15/539403315.db2.gz SRIXTCKUGLIYLQ-NXEZZACHSA-N 1 0 308.205 2.094 10 0 DEAERO CCS(=O)(=O)N1CCC([NH2+][C@H]2CCC[C@@H](C)CC2)CC1 ZINC000086880568 539404502 /nfs/dbraw/zinc/40/45/02/539404502.db2.gz YVDLNAYWYOJCNR-KGLIPLIRSA-N 1 0 302.484 2.359 10 0 DEAERO C[NH+]1CCC([C@H]2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC000328648741 530051139 /nfs/dbraw/zinc/05/11/39/530051139.db2.gz IMSTZXFTQVBHTH-HOTGVXAUSA-N 1 0 321.465 2.466 10 0 DEAERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCc1ccccc1O ZINC000448258234 530051564 /nfs/dbraw/zinc/05/15/64/530051564.db2.gz VLDIXEXVNFCUEE-INIZCTEOSA-N 1 0 319.449 2.354 10 0 DEAERO CC1(OCC(=O)N(Cc2ccc(Cl)cc2)C2CC2)C[NH2+]C1 ZINC000098060837 539436068 /nfs/dbraw/zinc/43/60/68/539436068.db2.gz YVEGUSVJIYVHMV-UHFFFAOYSA-N 1 0 308.809 2.210 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000245416271 282385955 /nfs/dbraw/zinc/38/59/55/282385955.db2.gz DZRKKPPASPACLT-QBPKDAKJSA-N 1 0 307.482 2.335 10 0 DEAERO Clc1ccc([C@@H](C[NH2+][C@H]2CCCOC2)N2CCOCC2)cc1 ZINC000119803591 539447525 /nfs/dbraw/zinc/44/75/25/539447525.db2.gz TVBQWIOSCZCSEE-DLBZAZTESA-N 1 0 324.852 2.482 10 0 DEAERO CC(C)(O)C(C)(C)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000227348234 201798332 /nfs/dbraw/zinc/79/83/32/201798332.db2.gz VJYLASVJZPSNHH-LLVKDONJSA-N 1 0 301.814 2.219 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000245466684 282390305 /nfs/dbraw/zinc/39/03/05/282390305.db2.gz JLELMQGVRUTPQK-SJORKVTESA-N 1 0 317.433 2.428 10 0 DEAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc2c(c1)OCCCO2 ZINC000125599434 539473793 /nfs/dbraw/zinc/47/37/93/539473793.db2.gz IUVDZZQHUVOIGY-KSSFIOAISA-N 1 0 321.417 2.288 10 0 DEAERO Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C2)n1 ZINC000261666144 282406506 /nfs/dbraw/zinc/40/65/06/282406506.db2.gz JRIMUOGBWNSTJQ-YJNKXOJESA-N 1 0 318.421 2.005 10 0 DEAERO CC(=O)CCC(C)(C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000130443527 539495378 /nfs/dbraw/zinc/49/53/78/539495378.db2.gz WWWQQLUCGJXHPU-UHFFFAOYSA-N 1 0 303.406 2.126 10 0 DEAERO COCCN(c1nc2sccn2c1CC[NH3+])[C@H](C)C1CC1 ZINC000111485050 185608595 /nfs/dbraw/zinc/60/85/95/185608595.db2.gz DINFCCLHVYSVNZ-LLVKDONJSA-N 1 0 308.451 2.148 10 0 DEAERO C[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1C ZINC000111715000 185629899 /nfs/dbraw/zinc/62/98/99/185629899.db2.gz KRPDGOIUIPBFLM-OCCSQVGLSA-N 1 0 314.426 2.285 10 0 DEAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1c1ccc(S(C)(=O)=O)cc1 ZINC000111718305 185630287 /nfs/dbraw/zinc/63/02/87/185630287.db2.gz TUDDGPHMYZQEIX-XJKSGUPXSA-N 1 0 310.463 2.447 10 0 DEAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000111719441 185630997 /nfs/dbraw/zinc/63/09/97/185630997.db2.gz SUCPHLWMRDKQGT-ZDUSSCGKSA-N 1 0 314.426 2.226 10 0 DEAERO CC(C)[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000111720592 185631281 /nfs/dbraw/zinc/63/12/81/185631281.db2.gz PHIKXYRCBYSICI-CQSZACIVSA-N 1 0 314.426 2.367 10 0 DEAERO [NH3+]C1CCC(OCCNC(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000111790685 185636911 /nfs/dbraw/zinc/63/69/11/185636911.db2.gz ZLURWJVTESRMBP-UHFFFAOYSA-N 1 0 320.220 2.338 10 0 DEAERO COC(=O)c1ccc(F)c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000181944528 199366760 /nfs/dbraw/zinc/36/67/60/199366760.db2.gz AVFJWSRUITUTCH-IUODEOHRSA-N 1 0 306.381 2.281 10 0 DEAERO C[C@@H]([NH2+]CCn1ccnc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279679755 215056292 /nfs/dbraw/zinc/05/62/92/215056292.db2.gz GXSDHHHSSJHDDB-ZIAGYGMSSA-N 1 0 308.426 2.118 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000121200449 185763109 /nfs/dbraw/zinc/76/31/09/185763109.db2.gz RUHMRZNXZPKUGD-CZUORRHYSA-N 1 0 323.437 2.401 10 0 DEAERO C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261659280 290813522 /nfs/dbraw/zinc/81/35/22/290813522.db2.gz FBLIMHUWYCKTEX-SQWLQELKSA-N 1 0 301.434 2.229 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)CCCSC)[C@H](C)C1 ZINC000121472733 185805476 /nfs/dbraw/zinc/80/54/76/185805476.db2.gz PQMUJLYSHPRAPL-CABCVRRESA-N 1 0 316.511 2.383 10 0 DEAERO C[C@H]1CC[C@@H](C[NH3+])CN1S(=O)(=O)c1cccc(Cl)c1F ZINC000070181208 190868852 /nfs/dbraw/zinc/86/88/52/190868852.db2.gz VAWNFBFDBDKPIW-UWVGGRQHSA-N 1 0 320.817 2.227 10 0 DEAERO COc1ccc(-c2nc(CN3CC[N@@H+]4CCC[C@@H]4C3)no2)cc1 ZINC000171641156 539616108 /nfs/dbraw/zinc/61/61/08/539616108.db2.gz CLFHWSNVZCDRKM-CQSZACIVSA-N 1 0 314.389 2.025 10 0 DEAERO COCCN1C(=O)CC[C@H]([NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000070292897 190877489 /nfs/dbraw/zinc/87/74/89/190877489.db2.gz BJSAXLMVUNRMGW-GXTWGEPZSA-N 1 0 300.761 2.116 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1ccccc1Br ZINC000070287977 190877863 /nfs/dbraw/zinc/87/78/63/190877863.db2.gz SRJLUAUEBFQPQW-KBPBESRZSA-N 1 0 313.239 2.430 10 0 DEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1cccc(CCO)c1 ZINC000616636086 362901802 /nfs/dbraw/zinc/90/18/02/362901802.db2.gz OBMCBZHBLXZSDS-HNNXBMFYSA-N 1 0 306.406 2.103 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616671993 362907359 /nfs/dbraw/zinc/90/73/59/362907359.db2.gz HDVHJIMFRMGKBF-ZDUSSCGKSA-N 1 0 305.422 2.149 10 0 DEAERO CC(C)(C)OC(=O)NCC[C@@H]1c2ccccc2CCN1CC[NH3+] ZINC000616679273 362908711 /nfs/dbraw/zinc/90/87/11/362908711.db2.gz QZMGBQYYTDEUMT-MRXNPFEDSA-N 1 0 319.449 2.459 10 0 DEAERO Fc1ccc(-c2cc3c(N4CCC[NH2+]CC4)nccn3n2)cc1 ZINC000070458558 190897146 /nfs/dbraw/zinc/89/71/46/190897146.db2.gz WMCNOMZPKYMYSR-UHFFFAOYSA-N 1 0 311.364 2.335 10 0 DEAERO Cc1sc2ncnc(N3CCC(OCC[NH3+])CC3)c2c1C ZINC000129907961 185921247 /nfs/dbraw/zinc/92/12/47/185921247.db2.gz NAUBVRBQNWRQQG-UHFFFAOYSA-N 1 0 306.435 2.252 10 0 DEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@H](C)c2nccs2)c1 ZINC000080343711 192150501 /nfs/dbraw/zinc/15/05/01/192150501.db2.gz CAUSGIGIURQSAH-NXEZZACHSA-N 1 0 311.432 2.202 10 0 DEAERO CN(C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)C1CCC1 ZINC000080493309 192162186 /nfs/dbraw/zinc/16/21/86/192162186.db2.gz NHIZMURHIAUKQJ-UHFFFAOYSA-N 1 0 322.497 2.131 10 0 DEAERO c1cnn(C[C@@H]2CN(Cc3cccc4cnccc43)CCO2)c1 ZINC000183285474 539660807 /nfs/dbraw/zinc/66/08/07/539660807.db2.gz IWLCTAMYRUXTIR-KRWDZBQOSA-N 1 0 308.385 2.332 10 0 DEAERO CC(C)NC(=O)[C@H](C)Oc1ccc(C[NH3+])cc1Br ZINC000070579960 190908235 /nfs/dbraw/zinc/90/82/35/190908235.db2.gz JXRDCXAWLXRVSF-VIFPVBQESA-N 1 0 315.211 2.200 10 0 DEAERO CNC(=O)[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)C(C)C ZINC000183635300 539663852 /nfs/dbraw/zinc/66/38/52/539663852.db2.gz DHIPMMHJYANKQZ-CYBMUJFWSA-N 1 0 318.339 2.444 10 0 DEAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C ZINC000183658954 539663960 /nfs/dbraw/zinc/66/39/60/539663960.db2.gz ZWMXEORAAONGKW-MRXNPFEDSA-N 1 0 319.449 2.283 10 0 DEAERO C[C@H]([NH2+]CCN1C(=O)CCC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000186040431 539673588 /nfs/dbraw/zinc/67/35/88/539673588.db2.gz PYZBYDYZGXHSGH-IHWZXDPASA-N 1 0 304.434 2.330 10 0 DEAERO Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000193818876 539715096 /nfs/dbraw/zinc/71/50/96/539715096.db2.gz YRJRHWVXYOUKNK-ZDUSSCGKSA-N 1 0 307.413 2.487 10 0 DEAERO COc1ccccc1NC(=O)CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000193850105 539716431 /nfs/dbraw/zinc/71/64/31/539716431.db2.gz DXTPAUMTAQIARD-ZDUSSCGKSA-N 1 0 314.389 2.236 10 0 DEAERO COc1ccc([S@@](=O)[C@@H]2COc3ccccc3[C@@H]2[NH3+])cc1 ZINC000084002452 192395604 /nfs/dbraw/zinc/39/56/04/192395604.db2.gz MHCPAAFUAXCHCV-XFQAVAEZSA-N 1 0 303.383 2.264 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCCC[NH2+]2)c1 ZINC000083896780 192390908 /nfs/dbraw/zinc/39/09/08/192390908.db2.gz PEIBZFDXVFUCCV-LBPRGKRZSA-N 1 0 309.797 2.170 10 0 DEAERO [NH3+]CCCCc1cn(Cc2csc(Br)c2)nn1 ZINC000228374842 539731790 /nfs/dbraw/zinc/73/17/90/539731790.db2.gz PGZYRMJPGAVAES-UHFFFAOYSA-N 1 0 315.240 2.432 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1c(C)nc2cc(Cl)ccn21 ZINC000071476477 190984387 /nfs/dbraw/zinc/98/43/87/190984387.db2.gz DMDBWJFMKJBVEP-UHFFFAOYSA-N 1 0 308.813 2.368 10 0 DEAERO [NH3+]C1(CC(=O)Nc2cc3c(cc2Cl)NC(=O)C3)CCCC1 ZINC000084166612 192409163 /nfs/dbraw/zinc/40/91/63/192409163.db2.gz WHJSKHIHJMUVAX-UHFFFAOYSA-N 1 0 307.781 2.435 10 0 DEAERO CN(C(=O)c1cc(Br)cn1C)[C@@H]1CCC[NH2+]CC1 ZINC000231466701 539735218 /nfs/dbraw/zinc/73/52/18/539735218.db2.gz SWQKQFYSJCAJAO-LLVKDONJSA-N 1 0 314.227 2.002 10 0 DEAERO CCOC(=O)Cn1c2ccc(F)cc2nc1[C@@H]1CCC[NH2+]C1 ZINC000071665838 191001676 /nfs/dbraw/zinc/00/16/76/191001676.db2.gz KGRHLKBWRXQZFC-LLVKDONJSA-N 1 0 305.353 2.206 10 0 DEAERO CC(C)C[C@@](C)(O)c1c(Br)cnn1CC[NH+](C)C ZINC000133450232 185985371 /nfs/dbraw/zinc/98/53/71/185985371.db2.gz TVQBIVXDHYNSHB-CYBMUJFWSA-N 1 0 318.259 2.461 10 0 DEAERO CC(=O)Nc1ccc(C)c(NC(=O)Cc2csc(C[NH3+])n2)c1 ZINC000071696752 191008789 /nfs/dbraw/zinc/00/87/89/191008789.db2.gz XMONKNVQHYNZMI-UHFFFAOYSA-N 1 0 318.402 2.050 10 0 DEAERO CC(C)[NH2+]Cc1ccc(F)c(S(=O)(=O)NC2CC(C)C2)c1 ZINC000133621337 186000307 /nfs/dbraw/zinc/00/03/07/186000307.db2.gz ADZZYTITLHHJON-UHFFFAOYSA-N 1 0 314.426 2.401 10 0 DEAERO CCN(CC)C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000072078957 191033841 /nfs/dbraw/zinc/03/38/41/191033841.db2.gz ZUJUHXIJBASHEB-UHFFFAOYSA-N 1 0 304.438 2.140 10 0 DEAERO CC[NH2+][C@@H](CCN1CCS(=O)CC1)c1cc(C)cc(C)c1 ZINC000133722786 186010048 /nfs/dbraw/zinc/01/00/48/186010048.db2.gz WYVWKECBCQOHCZ-KRWDZBQOSA-N 1 0 308.491 2.408 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(OC)cc1OCCCS(C)(=O)=O ZINC000138532284 186017636 /nfs/dbraw/zinc/01/76/36/186017636.db2.gz AWGKITHCQRASFO-LBPRGKRZSA-N 1 0 315.435 2.179 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)NCC(C)(C)C)c1 ZINC000138644508 186018545 /nfs/dbraw/zinc/01/85/45/186018545.db2.gz XHDNRUCWUVCMHX-UHFFFAOYSA-N 1 0 306.378 2.009 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c([C@@H]3CCCC[C@@H]3C[NH3+])nc21 ZINC000138142894 186014317 /nfs/dbraw/zinc/01/43/17/186014317.db2.gz POHXANCPVCUWOG-GHMZBOCLSA-N 1 0 307.419 2.199 10 0 DEAERO CC(C)C[C@@H](C[NH3+])Cc1nc2c(cccc2S(C)(=O)=O)[nH]1 ZINC000138134999 186014346 /nfs/dbraw/zinc/01/43/46/186014346.db2.gz PHYXOFSPBMXCIK-LLVKDONJSA-N 1 0 309.435 2.130 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)NC2(C)CCC2)c1 ZINC000139314393 186021541 /nfs/dbraw/zinc/02/15/41/186021541.db2.gz CYLANNOESSRLMB-UHFFFAOYSA-N 1 0 318.389 2.295 10 0 DEAERO [NH3+]CCCc1cccc(NS(=O)(=O)N2CCCCCC2)c1 ZINC000139541346 186022988 /nfs/dbraw/zinc/02/29/88/186022988.db2.gz DCMCJNYOZYBZJW-UHFFFAOYSA-N 1 0 311.451 2.111 10 0 DEAERO CC[C@@H]1N[C@H](c2ccsc2)N(C[C@@H]2CC[N@H+](CC)C2)C1=O ZINC000142255079 186031737 /nfs/dbraw/zinc/03/17/37/186031737.db2.gz AJMLMIDMMKYBPW-SNPRPXQTSA-N 1 0 307.463 2.299 10 0 DEAERO CCC[NH2+][C@H](Cc1cccs1)C[C@H]1CCS(=O)(=O)C1 ZINC000142443075 186032201 /nfs/dbraw/zinc/03/22/01/186032201.db2.gz HVKAZVFDMIBWPO-OLZOCXBDSA-N 1 0 301.477 2.484 10 0 DEAERO CC(C)[C@@H]1N[C@H](c2ccsc2)N(C2CC[NH+](C)CC2)C1=O ZINC000141241848 186029079 /nfs/dbraw/zinc/02/90/79/186029079.db2.gz JBSTYQJZXGEZHH-GJZGRUSLSA-N 1 0 307.463 2.297 10 0 DEAERO [NH3+]CC1(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)CCC1 ZINC000147905537 186042780 /nfs/dbraw/zinc/04/27/80/186042780.db2.gz ANHOKCREMHDLID-UONOGXRCSA-N 1 0 312.479 2.019 10 0 DEAERO C[C@@H]1OCC[C@@]1(C[NH3+])N(C)Cc1csc(Br)c1 ZINC000147969470 186042790 /nfs/dbraw/zinc/04/27/90/186042790.db2.gz LZMNHQGHPUWZMI-CABZTGNLSA-N 1 0 319.268 2.449 10 0 DEAERO C[C@H]1OCC[C@@]12C[NH+]=C(N)N2c1ccccc1Br ZINC000148448355 186044467 /nfs/dbraw/zinc/04/44/67/186044467.db2.gz DMYNKFLXRPXLEP-NOZJJQNGSA-N 1 0 310.195 2.131 10 0 DEAERO CCC(CC)C[C@H](C[NH2+]CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000149093238 186047786 /nfs/dbraw/zinc/04/77/86/186047786.db2.gz ADXLIAZEFBNPKF-HUUCEWRRSA-N 1 0 305.484 2.100 10 0 DEAERO CCN(C1CC[NH2+]CC1)S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000149496162 186050155 /nfs/dbraw/zinc/05/01/55/186050155.db2.gz IAUFOVBNURFDNI-AWEZNQCLSA-N 1 0 310.463 2.194 10 0 DEAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)C[C@@H](C)c2ccccc2)C1 ZINC000149497363 186050343 /nfs/dbraw/zinc/05/03/43/186050343.db2.gz VFAJIHZRBFUULX-HUUCEWRRSA-N 1 0 310.463 2.051 10 0 DEAERO C[C@H](CS(=O)(=O)N(C)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000149513649 186051125 /nfs/dbraw/zinc/05/11/25/186051125.db2.gz HTXAENLTSIANKX-FVQBIDKESA-N 1 0 310.463 2.179 10 0 DEAERO C[NH2+][C@H](Cc1csc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000150051452 186053906 /nfs/dbraw/zinc/05/39/06/186053906.db2.gz LAHJZASNCBMUEH-SMDDNHRTSA-N 1 0 309.456 2.467 10 0 DEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC[C@H]2CCCS2)cc1 ZINC000150032139 186054242 /nfs/dbraw/zinc/05/42/42/186054242.db2.gz ODAPTXPOPBALSF-DGCLKSJQSA-N 1 0 314.476 2.141 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@](O)(C[NH3+])C(C)(C)C ZINC000150162948 186055444 /nfs/dbraw/zinc/05/54/44/186055444.db2.gz JJCQDIWHDHAZHJ-ZDUSSCGKSA-N 1 0 318.259 2.252 10 0 DEAERO CCC[NH2+][C@H](Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000150226218 186055475 /nfs/dbraw/zinc/05/54/75/186055475.db2.gz PMBCNXQNHULGEL-IAQYHMDHSA-N 1 0 317.401 2.310 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cccc(OC)c2F)C[C@H]1C ZINC000249462243 539780632 /nfs/dbraw/zinc/78/06/32/539780632.db2.gz ZRQXECHEMHCANS-CQSZACIVSA-N 1 0 310.413 2.377 10 0 DEAERO C[NH2+]Cc1sc([C@@H]2CCS(=O)(=O)C2)nc1-c1ccccc1 ZINC000150327099 186056728 /nfs/dbraw/zinc/05/67/28/186056728.db2.gz LHPXTLKLYDROCT-GFCCVEGCSA-N 1 0 322.455 2.432 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261657292 539787375 /nfs/dbraw/zinc/78/73/75/539787375.db2.gz WISQLBBPNURCQF-PWSUYJOCSA-N 1 0 316.854 2.396 10 0 DEAERO O=C(Nc1ccc2c(c1)CCCO2)N1CCC2(CC[NH2+]2)CC1 ZINC000333839678 282979619 /nfs/dbraw/zinc/97/96/19/282979619.db2.gz OBLCZDNQQYBERC-UHFFFAOYSA-N 1 0 301.390 2.371 10 0 DEAERO C[C@@H](NC(=O)c1coc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000269160098 539796695 /nfs/dbraw/zinc/79/66/95/539796695.db2.gz ARWSTNJAJRCAMV-RKDXNWHRSA-N 1 0 301.184 2.160 10 0 DEAERO CC(=O)Nc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1F ZINC000155718900 186106507 /nfs/dbraw/zinc/10/65/07/186106507.db2.gz PTCVXUHACYXVSP-BZNIZROVSA-N 1 0 321.396 2.243 10 0 DEAERO C[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000163992007 186144727 /nfs/dbraw/zinc/14/47/27/186144727.db2.gz RFRHUVXWVHTYLG-QWRGUYRKSA-N 1 0 318.389 2.104 10 0 DEAERO COCCn1ncc(Cl)c1C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000164080685 186148034 /nfs/dbraw/zinc/14/80/34/186148034.db2.gz OYPOGVCJMOHDKP-WXHSDQCUSA-N 1 0 311.813 2.286 10 0 DEAERO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000155891697 186121064 /nfs/dbraw/zinc/12/10/64/186121064.db2.gz JXZBREBKUSWVCW-ZBFHGGJFSA-N 1 0 312.479 2.473 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1ccc(C)cc1Br ZINC000159546748 186126124 /nfs/dbraw/zinc/12/61/24/186126124.db2.gz UREQXALMIIEENV-NSHDSACASA-N 1 0 315.211 2.450 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1ccc(Br)c(C)c1 ZINC000159556374 186126792 /nfs/dbraw/zinc/12/67/92/186126792.db2.gz UIWUDOXZBWUXFI-GFCCVEGCSA-N 1 0 315.211 2.450 10 0 DEAERO COc1ccc(Br)c(C[NH2+]C[C@@H](C)[S@](C)=O)c1 ZINC000159623236 186131327 /nfs/dbraw/zinc/13/13/27/186131327.db2.gz KCZAUBXTMHGTEV-VVVCHXIZSA-N 1 0 320.252 2.314 10 0 DEAERO C[C@H]([NH2+]CCn1ccnn1)c1sccc1Br ZINC000159663605 186134310 /nfs/dbraw/zinc/13/43/10/186134310.db2.gz ZURUJIRCROUQQW-QMMMGPOBSA-N 1 0 301.213 2.453 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171510326 186170820 /nfs/dbraw/zinc/17/08/20/186170820.db2.gz PLARXMAUTUFGQU-CABCVRRESA-N 1 0 320.437 2.034 10 0 DEAERO Cc1cccc(C)c1NCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000173300860 186174038 /nfs/dbraw/zinc/17/40/38/186174038.db2.gz NCKFDVBMCJISJG-MRXNPFEDSA-N 1 0 301.434 2.412 10 0 DEAERO CC(C(=O)N(Cc1cccs1)C[C@H]1CCCO1)=C1C[NH2+]C1 ZINC000164168780 186151495 /nfs/dbraw/zinc/15/14/95/186151495.db2.gz MCVVYKXMFNJFFN-CQSZACIVSA-N 1 0 306.431 2.175 10 0 DEAERO Cc1ccc([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000164264759 186153638 /nfs/dbraw/zinc/15/36/38/186153638.db2.gz FGRTUWVHYSDVJD-CABZTGNLSA-N 1 0 318.236 2.192 10 0 DEAERO Cc1ccc([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000164264655 186153753 /nfs/dbraw/zinc/15/37/53/186153753.db2.gz FGRTUWVHYSDVJD-JOYOIKCWSA-N 1 0 318.236 2.192 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccnc1OC ZINC000173333112 186177660 /nfs/dbraw/zinc/17/76/60/186177660.db2.gz UYRRAOBKLWKWDB-QWHCGFSZSA-N 1 0 304.394 2.181 10 0 DEAERO CC(C)[C@H](O)CNC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000175638479 186183511 /nfs/dbraw/zinc/18/35/11/186183511.db2.gz XRNPGMKUAVILNA-DOTOQJQBSA-N 1 0 321.465 2.213 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)Nc2nnc(C(F)F)s2)CC[N@@H+]1C ZINC000175647370 186184539 /nfs/dbraw/zinc/18/45/39/186184539.db2.gz ZPLMLOVFXCYJGJ-JGVFFNPUSA-N 1 0 319.381 2.422 10 0 DEAERO C[NH+](C)C[C@@H](NCc1cn(C(C)(C)C)nn1)c1ccccc1 ZINC000189940037 186252357 /nfs/dbraw/zinc/25/23/57/186252357.db2.gz TYETVOVUVIQCIE-MRXNPFEDSA-N 1 0 301.438 2.426 10 0 DEAERO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCC(C)(C)C)CC1 ZINC000171659148 197962337 /nfs/dbraw/zinc/96/23/37/197962337.db2.gz XXHYDYJMZAYFIP-HZPDHXFCSA-N 1 0 324.513 2.233 10 0 DEAERO Cc1csc(NC(=O)c2cnc([C@H]3CCC[N@@H+](C)C3)cn2)n1 ZINC000072365610 191133858 /nfs/dbraw/zinc/13/38/58/191133858.db2.gz GLXDKTUSSBTAGA-NSHDSACASA-N 1 0 317.418 2.303 10 0 DEAERO O=C(Nc1ccc2c(c1)CCCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171892556 198002790 /nfs/dbraw/zinc/00/27/90/198002790.db2.gz OOMSBIHIFGBSMV-OAHLLOKOSA-N 1 0 301.390 2.324 10 0 DEAERO COc1cc(F)c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000171894950 198002808 /nfs/dbraw/zinc/00/28/08/198002808.db2.gz ZJMPGDNNOSLDAT-NSHDSACASA-N 1 0 323.368 2.155 10 0 DEAERO O=C(NCCc1cccc(Cl)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171898260 198003875 /nfs/dbraw/zinc/00/38/75/198003875.db2.gz QDCQQHRRIBIUJS-HNNXBMFYSA-N 1 0 307.825 2.372 10 0 DEAERO O=C(NCc1nc2ccccc2s1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897157 198004239 /nfs/dbraw/zinc/00/42/39/198004239.db2.gz BUADSNAIWPVUCP-GFCCVEGCSA-N 1 0 316.430 2.286 10 0 DEAERO Cc1ccccc1C[C@@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171902859 198004623 /nfs/dbraw/zinc/00/46/23/198004623.db2.gz XZWLVSGQOFKKCI-NVXWUHKLSA-N 1 0 301.434 2.416 10 0 DEAERO CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171906967 198005748 /nfs/dbraw/zinc/00/57/48/198005748.db2.gz YJMXPTGXHSBZGK-DLBZAZTESA-N 1 0 301.434 2.497 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)C[C@H]2CCCc3ccccc32)CCO1 ZINC000172306684 198077183 /nfs/dbraw/zinc/07/71/83/198077183.db2.gz NKXWYICRLONDDZ-SJORKVTESA-N 1 0 316.445 2.286 10 0 DEAERO CCn1cnnc1[C@H]1CCC[N@H+](CCc2scnc2C)C1 ZINC000172532063 198110828 /nfs/dbraw/zinc/11/08/28/198110828.db2.gz YRFUPYDWQIYYDD-ZDUSSCGKSA-N 1 0 305.451 2.485 10 0 DEAERO CCN(C(=O)c1ccoc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000617550766 363179180 /nfs/dbraw/zinc/17/91/80/363179180.db2.gz CIDCGOXZGKMHDV-SECBINFHSA-N 1 0 301.184 2.208 10 0 DEAERO OCC1(O)CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000313646369 539880467 /nfs/dbraw/zinc/88/04/67/539880467.db2.gz VMQYOJFIIIKLBS-UHFFFAOYSA-N 1 0 320.216 2.191 10 0 DEAERO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172907591 198166360 /nfs/dbraw/zinc/16/63/60/198166360.db2.gz HRSBPRRBUWCVPO-MRVWCRGKSA-N 1 0 306.356 2.375 10 0 DEAERO Cc1nc([C@@H](C)NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cs1 ZINC000332843470 539941589 /nfs/dbraw/zinc/94/15/89/539941589.db2.gz WOBKCOLKMJCNJO-GHMZBOCLSA-N 1 0 308.451 2.462 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000173267648 198203858 /nfs/dbraw/zinc/20/38/58/198203858.db2.gz IIINVMDPQLDMPE-MNOVXSKESA-N 1 0 318.389 2.068 10 0 DEAERO C[C@@H](NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000333283012 539954731 /nfs/dbraw/zinc/95/47/31/539954731.db2.gz MUIAMGOOQOOICG-OCCSQVGLSA-N 1 0 304.438 2.196 10 0 DEAERO C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Cc1cccs1 ZINC000173505090 198221596 /nfs/dbraw/zinc/22/15/96/198221596.db2.gz HGQSLFKSPBEKIY-ZIAGYGMSSA-N 1 0 307.463 2.416 10 0 DEAERO O=C(NCCc1cccc(F)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173541220 198225626 /nfs/dbraw/zinc/22/56/26/198225626.db2.gz UHRHCSQNIILSOK-MRXNPFEDSA-N 1 0 303.381 2.024 10 0 DEAERO CCc1nnc(CN2CC[C@H](COCc3ccccc3)C2)n1C ZINC000173977523 198275490 /nfs/dbraw/zinc/27/54/90/198275490.db2.gz WOGQUZJLADABSK-INIZCTEOSA-N 1 0 314.433 2.416 10 0 DEAERO COCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](C)Cc1ccccc1)CC2 ZINC000182069384 199382170 /nfs/dbraw/zinc/38/21/70/199382170.db2.gz VDGRMQNSYVUSCO-GOEBONIOSA-N 1 0 314.433 2.208 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCCOc2cccc(F)c2)CC[N@@H+]1C ZINC000174046730 198285386 /nfs/dbraw/zinc/28/53/86/198285386.db2.gz QKUKEUZEGNXCIF-UKRRQHHQSA-N 1 0 323.412 2.329 10 0 DEAERO CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CC[NH+](C)CC1 ZINC000174460682 198337464 /nfs/dbraw/zinc/33/74/64/198337464.db2.gz KVKYZQJLWOQJRR-UHFFFAOYSA-N 1 0 312.417 2.173 10 0 DEAERO Cc1cccc2c(CCNC(=O)NC[C@@H]3CCC[N@H+]3C)c[nH]c21 ZINC000174351963 198323098 /nfs/dbraw/zinc/32/30/98/198323098.db2.gz VCHWQDMSSMFUOT-HNNXBMFYSA-N 1 0 314.433 2.412 10 0 DEAERO COc1cc(C[NH2+]C[C@](C)(O)c2ccco2)cc2c1OCCO2 ZINC000174528596 198348198 /nfs/dbraw/zinc/34/81/98/198348198.db2.gz SRPILNNXZOVLNB-KRWDZBQOSA-N 1 0 319.357 2.057 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccccc2C)[C@H](C)C1 ZINC000174779821 198384668 /nfs/dbraw/zinc/38/46/68/198384668.db2.gz XFPRNKMACKXLQG-AEFFLSMTSA-N 1 0 317.477 2.273 10 0 DEAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000277064945 213272199 /nfs/dbraw/zinc/27/21/99/213272199.db2.gz JZIBUDSIZOBSPX-FVCICTRLSA-N 1 0 302.418 2.348 10 0 DEAERO CCCOc1ccc(C(=O)OC[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000025970905 354077981 /nfs/dbraw/zinc/07/79/81/354077981.db2.gz CNJAICHTXNOWGW-CQSZACIVSA-N 1 0 309.406 2.381 10 0 DEAERO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCO2)c1ccccc1 ZINC000028077585 354099168 /nfs/dbraw/zinc/09/91/68/354099168.db2.gz OKZHIMPSEOYTNR-HUUCEWRRSA-N 1 0 318.417 2.091 10 0 DEAERO C[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(CO)c1 ZINC000039346303 354168578 /nfs/dbraw/zinc/16/85/78/354168578.db2.gz JKPBWUJZWQEFQA-FZKQIMNGSA-N 1 0 301.386 2.139 10 0 DEAERO [NH3+]CC[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1 ZINC000036154727 354163804 /nfs/dbraw/zinc/16/38/04/354163804.db2.gz DMXDPXLLVJTFAK-KRWDZBQOSA-N 1 0 316.426 2.324 10 0 DEAERO CC1(C)OC(=O)C(=CC(=O)C=CC[NH+]2CCCCC2)C(=O)O1 ZINC000048546653 354353623 /nfs/dbraw/zinc/35/36/23/354353623.db2.gz BXTKDOZXIDWPGQ-NGSBCVAZSA-N 1 0 307.346 2.190 10 0 DEAERO CC(C)(C)CC[NH+]1CCN(C(=O)NCc2cscn2)CC1 ZINC000051751734 354389032 /nfs/dbraw/zinc/38/90/32/354389032.db2.gz NQWWEWJSLAJLFL-UHFFFAOYSA-N 1 0 310.467 2.407 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NCC2CCOCC2)[C@H]1c1ccccc1 ZINC000245656942 283051385 /nfs/dbraw/zinc/05/13/85/283051385.db2.gz OMPVQDHBBIBCHM-IAGOWNOFSA-N 1 0 317.433 2.158 10 0 DEAERO COc1cccc(F)c1[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000074267403 355018324 /nfs/dbraw/zinc/01/83/24/355018324.db2.gz SYNDMDMBEQEKMD-RYUDHWBXSA-N 1 0 321.396 2.431 10 0 DEAERO CC(C)[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000073441127 191317308 /nfs/dbraw/zinc/31/73/08/191317308.db2.gz JZAHTAPZHIYOEE-INIZCTEOSA-N 1 0 324.513 2.280 10 0 DEAERO CC[C@@H]1C[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)CCO1 ZINC000076612279 355158896 /nfs/dbraw/zinc/15/88/96/355158896.db2.gz ZUPNYWHPROCCAR-JKSUJKDBSA-N 1 0 313.825 2.328 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCCC(C)(C)CO ZINC000073722602 191348726 /nfs/dbraw/zinc/34/87/26/191348726.db2.gz KVHPCVNEQZQTBK-AWEZNQCLSA-N 1 0 301.475 2.061 10 0 DEAERO C[NH+](C)CCCNC(=O)Cc1cc(Br)cs1 ZINC000074964534 191396948 /nfs/dbraw/zinc/39/69/48/191396948.db2.gz ADTUKDBNRHHBLE-UHFFFAOYSA-N 1 0 305.241 2.121 10 0 DEAERO CC(C)[C@@H](c1ccc2c(c1)N(C)C(=O)[C@H](C)O2)N1CC[NH2+]CC1 ZINC000075271166 191453651 /nfs/dbraw/zinc/45/36/51/191453651.db2.gz WNLAHCJKAUBBPE-GUYCJALGSA-N 1 0 317.433 2.033 10 0 DEAERO c1ccc2c(c1)CCCN2CC[NH+]1CCN(c2cnccn2)CC1 ZINC000090519421 355563306 /nfs/dbraw/zinc/56/33/06/355563306.db2.gz WWMSNTQAKCTXIL-UHFFFAOYSA-N 1 0 323.444 2.051 10 0 DEAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(F)cc1C ZINC000440071404 540181041 /nfs/dbraw/zinc/18/10/41/540181041.db2.gz BNHJXNKDYAPDFE-LBPRGKRZSA-N 1 0 302.415 2.143 10 0 DEAERO COc1ccc2c(CC(=O)NC[C@@H]3CCC[N@H+](C)C3)coc2c1 ZINC000108335719 355734263 /nfs/dbraw/zinc/73/42/63/355734263.db2.gz LYZRTXJFERFCEP-ZDUSSCGKSA-N 1 0 316.401 2.442 10 0 DEAERO COc1ccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1 ZINC000106778955 355725487 /nfs/dbraw/zinc/72/54/87/355725487.db2.gz MPTPMKLNTOOSEV-DLBZAZTESA-N 1 0 302.418 2.323 10 0 DEAERO CN(CC1CC[NH+](C)CC1)c1nnc(Br)s1 ZINC000077898789 191792954 /nfs/dbraw/zinc/79/29/54/191792954.db2.gz UCGXNQONMTYELW-UHFFFAOYSA-N 1 0 305.245 2.079 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NCC(F)(F)F)[C@H]1c1ccccc1 ZINC000245704080 283125135 /nfs/dbraw/zinc/12/51/35/283125135.db2.gz ZYYLYNZRXBDYOB-NWDGAFQWSA-N 1 0 301.312 2.293 10 0 DEAERO O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH2+]CCc2ccccc2)cc1 ZINC000141060664 355888329 /nfs/dbraw/zinc/88/83/29/355888329.db2.gz RYCLRZPECVBSFK-INIZCTEOSA-N 1 0 316.357 2.167 10 0 DEAERO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000180825857 356061685 /nfs/dbraw/zinc/06/16/85/356061685.db2.gz MJHXKNCWJICWIX-OAHLLOKOSA-N 1 0 312.417 2.377 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000182017547 356105242 /nfs/dbraw/zinc/10/52/42/356105242.db2.gz TUDNQBAIBBNRIG-XJKSGUPXSA-N 1 0 317.433 2.305 10 0 DEAERO CCOC(=O)CCC[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182028489 356105674 /nfs/dbraw/zinc/10/56/74/356105674.db2.gz ONWIVEGHIUYFNU-CYBMUJFWSA-N 1 0 302.378 2.261 10 0 DEAERO COCc1noc([C@@H](C)N(C)CCc2ccccc2OC)n1 ZINC000181777076 356095354 /nfs/dbraw/zinc/09/53/54/356095354.db2.gz DIYSYISSLHCHSO-GFCCVEGCSA-N 1 0 305.378 2.460 10 0 DEAERO CC(C)c1noc2ncc(C(=O)N(C)CCC[NH+](C)C)cc21 ZINC000181969931 356102288 /nfs/dbraw/zinc/10/22/88/356102288.db2.gz JEILGJVLICVQNH-UHFFFAOYSA-N 1 0 304.394 2.370 10 0 DEAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000183065672 356159035 /nfs/dbraw/zinc/15/90/35/356159035.db2.gz SEVSHTATHKXHHV-HUUCEWRRSA-N 1 0 317.401 2.453 10 0 DEAERO CC(C)(C)CS(=O)(=O)N(CCC[NH3+])c1ccc(F)cc1 ZINC000080185491 192009595 /nfs/dbraw/zinc/00/95/95/192009595.db2.gz UZTQTMZUNRUWOE-UHFFFAOYSA-N 1 0 302.415 2.357 10 0 DEAERO Cc1ccc(S(=O)(=O)N(CC(N)=[NH2+])C2CCCC2)c(C)c1 ZINC000080224579 192014257 /nfs/dbraw/zinc/01/42/57/192014257.db2.gz XCZDWSVZBGKJTI-UHFFFAOYSA-N 1 0 309.435 2.173 10 0 DEAERO COc1cc(C[NH2+][C@H](C)[C@@H](C)CO)cc(Br)c1O ZINC000080204298 192012506 /nfs/dbraw/zinc/01/25/06/192012506.db2.gz MYNPJDWAZXTQGH-DTWKUNHWSA-N 1 0 318.211 2.270 10 0 DEAERO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000183327749 356168310 /nfs/dbraw/zinc/16/83/10/356168310.db2.gz YJUCEDGIVRXUDZ-NSHDSACASA-N 1 0 302.378 2.026 10 0 DEAERO COc1ccc(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000080718043 192186321 /nfs/dbraw/zinc/18/63/21/192186321.db2.gz AGTNHBNMPSTYBY-MQVJKMGUSA-N 1 0 302.418 2.369 10 0 DEAERO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000226464980 356278633 /nfs/dbraw/zinc/27/86/33/356278633.db2.gz TWJWZGORVHVCPN-LLVKDONJSA-N 1 0 302.465 2.073 10 0 DEAERO COc1ccc(CN(C)CC(=O)NC(C)(C)C)c(OC)c1OC ZINC000194271975 356237356 /nfs/dbraw/zinc/23/73/56/356237356.db2.gz WNOZJKOFXHKGLB-UHFFFAOYSA-N 1 0 324.421 2.059 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])s1 ZINC000227721812 356280419 /nfs/dbraw/zinc/28/04/19/356280419.db2.gz UJZXOGAIIRQHQU-CQSZACIVSA-N 1 0 322.455 2.303 10 0 DEAERO [NH3+]Cc1nc(I)ccc1OC(F)(F)F ZINC000238590092 356304379 /nfs/dbraw/zinc/30/43/79/356304379.db2.gz LAFTUBRQULNXGS-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO [NH3+]Cc1ccc(OC(F)(F)F)c(I)n1 ZINC000238682443 356305293 /nfs/dbraw/zinc/30/52/93/356305293.db2.gz NSLHRIMGZNWGFY-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO CC[C@@](C)(CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000080897591 192199887 /nfs/dbraw/zinc/19/98/87/192199887.db2.gz HWLLOGBUKFYSMO-HZMBPMFUSA-N 1 0 322.232 2.484 10 0 DEAERO C[C@H]1CCC[C@]([NH3+])(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000080917111 192200287 /nfs/dbraw/zinc/20/02/87/192200287.db2.gz DPMSSIPEDPRGQN-BJOHPYRUSA-N 1 0 309.797 2.285 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cn3cc(C)ccc3n2)C[C@H]1C ZINC000246106888 356312088 /nfs/dbraw/zinc/31/20/88/356312088.db2.gz JEPUPAMFCAKMAZ-MRXNPFEDSA-N 1 0 316.449 2.185 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085368497 192496892 /nfs/dbraw/zinc/49/68/92/192496892.db2.gz RAZTYIYGQFKIEM-NWDGAFQWSA-N 1 0 310.360 2.321 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@H]1CCC[C@@H]1[NH3+])CCC2 ZINC000085372130 192497520 /nfs/dbraw/zinc/49/75/20/192497520.db2.gz RXKKZOADQNDHRK-WPRPVWTQSA-N 1 0 308.403 2.089 10 0 DEAERO C[C@H](C[C@H](C)O)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000252755209 356335224 /nfs/dbraw/zinc/33/52/24/356335224.db2.gz JAGDTDOSGCUUBW-VWYCJHECSA-N 1 0 322.232 2.482 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)CC/C=C\c2ccccc2)CCO1 ZINC000254994329 356337345 /nfs/dbraw/zinc/33/73/45/356337345.db2.gz BSSOSNQIKOOPCX-IVEQORNPSA-N 1 0 302.418 2.269 10 0 DEAERO C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)COCc1ccccc1 ZINC000262328431 356341229 /nfs/dbraw/zinc/34/12/29/356341229.db2.gz XMHAZUSLNSTXQJ-OIISXLGYSA-N 1 0 304.434 2.473 10 0 DEAERO COC[C@H]1CCN([C@@H](C[NH3+])c2ccc(Br)o2)C1 ZINC000081049408 192218712 /nfs/dbraw/zinc/21/87/12/192218712.db2.gz WFUGOBSWHHPIKV-UWVGGRQHSA-N 1 0 303.200 2.010 10 0 DEAERO C[C@@H]([NH2+]C1CCN(C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400528621 283158137 /nfs/dbraw/zinc/15/81/37/283158137.db2.gz QXWXOILYHXKIEA-ZIAGYGMSSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400355772 283156191 /nfs/dbraw/zinc/15/61/91/283156191.db2.gz BCUFFYUZOLQBMU-KKUMJFAQSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)[C@H](C)CO)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400465868 283156891 /nfs/dbraw/zinc/15/68/91/283156891.db2.gz VWZCFFGGNRAPTO-RQJABVFESA-N 1 0 300.443 2.238 10 0 DEAERO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400495717 283157561 /nfs/dbraw/zinc/15/75/61/283157561.db2.gz AUWDEXVULXPNPT-FQUUOJAGSA-N 1 0 312.454 2.381 10 0 DEAERO CC1(C)[C@@H](C[NH3+])[C@@H]1c1ncc(I)s1 ZINC000306327854 356403302 /nfs/dbraw/zinc/40/33/02/356403302.db2.gz AOBDGCWMQZTBRT-CAHLUQPWSA-N 1 0 308.188 2.446 10 0 DEAERO O[C@H](C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O)C1CCCCC1 ZINC000408043319 283165781 /nfs/dbraw/zinc/16/57/81/283165781.db2.gz JVZNYNCJXJECAX-BRSBDYLESA-N 1 0 311.466 2.180 10 0 DEAERO O[C@H](C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O)C1CCCCC1 ZINC000408043321 283165803 /nfs/dbraw/zinc/16/58/03/283165803.db2.gz JVZNYNCJXJECAX-XWTMOSNGSA-N 1 0 311.466 2.180 10 0 DEAERO C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@H]1CCc2nccn2C1 ZINC000328650289 356466615 /nfs/dbraw/zinc/46/66/15/356466615.db2.gz VNTJOEHWLFWHQB-CZUORRHYSA-N 1 0 303.381 2.250 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000536036063 540240772 /nfs/dbraw/zinc/24/07/72/540240772.db2.gz PZANPNWSEXRRQF-SJORKVTESA-N 1 0 301.434 2.164 10 0 DEAERO C([C@H]1CCCO1)N1CC[N@H+](C[C@H]2CCCO2)[C@@H]2CCCC[C@H]21 ZINC000550453376 540242826 /nfs/dbraw/zinc/24/28/26/540242826.db2.gz USNKYCBTIFIBOR-BRSBDYLESA-N 1 0 308.466 2.273 10 0 DEAERO COCCCCC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000081609931 192302852 /nfs/dbraw/zinc/30/28/52/192302852.db2.gz IZNFRHBGVUINJB-UHFFFAOYSA-N 1 0 316.396 2.213 10 0 DEAERO CCC1(CC)C[NH2+][C@](C)(C2CC2)CN1CCCS(C)(=O)=O ZINC000085515501 192514205 /nfs/dbraw/zinc/51/42/05/192514205.db2.gz XKNXPRPAEASVMF-HNNXBMFYSA-N 1 0 316.511 2.054 10 0 DEAERO O[C@H](c1cc2c(cc1Br)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000085685731 192521184 /nfs/dbraw/zinc/52/11/84/192521184.db2.gz FAOZHHHOCAABPD-GXFFZTMASA-N 1 0 314.179 2.006 10 0 DEAERO CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237001442 202116844 /nfs/dbraw/zinc/11/68/44/202116844.db2.gz ZMHLCRIHRNHGSN-UONOGXRCSA-N 1 0 304.390 2.281 10 0 DEAERO CCS(=O)(=O)CC[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000086567629 192582508 /nfs/dbraw/zinc/58/25/08/192582508.db2.gz NSYYKCWEPMKCSP-LBPRGKRZSA-N 1 0 320.252 2.144 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(F)c1 ZINC000400257482 356722059 /nfs/dbraw/zinc/72/20/59/356722059.db2.gz RAFDDJKDSVWSOA-MWLCHTKSSA-N 1 0 320.817 2.164 10 0 DEAERO COc1cc(C[NH2+][C@H]2CO[C@H](C)C2)cc(Br)c1O ZINC000402030759 356728494 /nfs/dbraw/zinc/72/84/94/356728494.db2.gz YUWZIYSAOPZMRM-PSASIEDQSA-N 1 0 316.195 2.430 10 0 DEAERO Brc1csc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404186549 356732489 /nfs/dbraw/zinc/73/24/89/356732489.db2.gz FAMIMYLZSCWIFY-VXGBXAGGSA-N 1 0 317.252 2.073 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)COCc2ccccc2)C1 ZINC000404453108 356733557 /nfs/dbraw/zinc/73/35/57/356733557.db2.gz PFQKUFLVZHPTSF-CHWSQXEVSA-N 1 0 316.323 2.084 10 0 DEAERO [NH3+][C@H](Cc1ccc(Br)cc1)[C@H]1CSCCO1 ZINC000086987373 192606963 /nfs/dbraw/zinc/60/69/63/192606963.db2.gz SWSZJZQSGAJNNM-VXGBXAGGSA-N 1 0 302.237 2.451 10 0 DEAERO Cn1c(=O)ccc2ccc(NC(=O)CCCC[NH+](C)C)cc21 ZINC000578713406 356858430 /nfs/dbraw/zinc/85/84/30/356858430.db2.gz KUWRGAPCHSTCRY-UHFFFAOYSA-N 1 0 301.390 2.209 10 0 DEAERO CC(C)(C)[NH2+]C[C@H](CC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000087274864 192633347 /nfs/dbraw/zinc/63/33/47/192633347.db2.gz FGOUPNJWQMNVHQ-RRFJBIMHSA-N 1 0 317.495 2.385 10 0 DEAERO C[NH2+]Cc1csc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000088919100 192657262 /nfs/dbraw/zinc/65/72/62/192657262.db2.gz ZCEIXKIBCIJUAR-QWRGUYRKSA-N 1 0 302.465 2.134 10 0 DEAERO C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)C[C@@H]1CC=CCC1 ZINC000581659589 357224514 /nfs/dbraw/zinc/22/45/14/357224514.db2.gz OXBOZZPVZNZRQF-CQSZACIVSA-N 1 0 307.438 2.433 10 0 DEAERO CCN(C1CCCC1)S(=O)(=O)c1cc(C[NH3+])ccc1OC ZINC000088959868 192669416 /nfs/dbraw/zinc/66/94/16/192669416.db2.gz UFPFXOGKLHTXFY-UHFFFAOYSA-N 1 0 312.435 2.107 10 0 DEAERO CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188071227 535356729 /nfs/dbraw/zinc/35/67/29/535356729.db2.gz WADIQYQTIPGNSS-KBPBESRZSA-N 1 0 310.463 2.061 10 0 DEAERO CC[C@H](Nc1ccccc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000588763914 357421559 /nfs/dbraw/zinc/42/15/59/357421559.db2.gz AJKJACVORRROOH-INIZCTEOSA-N 1 0 315.421 2.274 10 0 DEAERO C[NH+](C)CCn1cc(NC(=O)c2cnc(C3CC3)s2)cn1 ZINC000591170400 357685465 /nfs/dbraw/zinc/68/54/65/357685465.db2.gz ICQHSSVHQVCHGW-UHFFFAOYSA-N 1 0 305.407 2.031 10 0 DEAERO Cn1c(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)nnc1C1CC1 ZINC000179239647 199003240 /nfs/dbraw/zinc/00/32/40/199003240.db2.gz KPLNNGONCWGUSX-MRXNPFEDSA-N 1 0 311.433 2.181 10 0 DEAERO O[C@H](CNc1ncc(C(F)(F)F)s1)C[NH+]1CCCCC1 ZINC000276745311 213081324 /nfs/dbraw/zinc/08/13/24/213081324.db2.gz GZGSVNPMVABZAC-SECBINFHSA-N 1 0 309.357 2.421 10 0 DEAERO COc1ccc(C[C@H](C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000179511269 199047332 /nfs/dbraw/zinc/04/73/32/199047332.db2.gz GWRUHOMDZZGIRJ-GOEBONIOSA-N 1 0 319.449 2.219 10 0 DEAERO CC(C)C1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000262426562 535378333 /nfs/dbraw/zinc/37/83/33/535378333.db2.gz FLRMLCSDVCHXIC-RLFYNMQTSA-N 1 0 308.466 2.414 10 0 DEAERO COCCC[C@H](C)[NH2+][C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000179809933 199083247 /nfs/dbraw/zinc/08/32/47/199083247.db2.gz AIIOABZRUHLABR-NWDGAFQWSA-N 1 0 322.413 2.347 10 0 DEAERO CCCn1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000180564818 199177096 /nfs/dbraw/zinc/17/70/96/199177096.db2.gz XSBSAGUMWJACCF-INIZCTEOSA-N 1 0 300.406 2.326 10 0 DEAERO COc1ccc(C[C@H](C)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000180613345 199184672 /nfs/dbraw/zinc/18/46/72/199184672.db2.gz SHBUUSLSHZSPDH-ZFWWWQNUSA-N 1 0 320.433 2.093 10 0 DEAERO CCn1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000180934944 199230216 /nfs/dbraw/zinc/23/02/16/199230216.db2.gz KSCIFZCHRKYPNC-UKRRQHHQSA-N 1 0 300.410 2.013 10 0 DEAERO Cc1c(C(=O)NCCCC[NH3+])cnn1-c1ccccc1Cl ZINC000181026557 199242767 /nfs/dbraw/zinc/24/27/67/199242767.db2.gz PMEUMPKFEAWHRD-UHFFFAOYSA-N 1 0 306.797 2.303 10 0 DEAERO COc1cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc2c1OCCO2 ZINC000181094381 199251426 /nfs/dbraw/zinc/25/14/26/199251426.db2.gz QUASEJRATYKPGH-CABCVRRESA-N 1 0 321.417 2.449 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc3scnc3c2)CCO1 ZINC000181192968 199263926 /nfs/dbraw/zinc/26/39/26/199263926.db2.gz QZBVARMWNVEDEI-GFCCVEGCSA-N 1 0 320.418 2.091 10 0 DEAERO COc1cc[nH+]c(N2CCN(C(=O)[C@H]3C[C@@H]3C(C)C)CC2)c1 ZINC000185322338 199837841 /nfs/dbraw/zinc/83/78/41/199837841.db2.gz ZTQISFYUTFRJLN-CABCVRRESA-N 1 0 303.406 2.031 10 0 DEAERO CCC[NH2+]CCCCS(=O)(=O)N(CCC)CC(F)(F)F ZINC000089008796 192694809 /nfs/dbraw/zinc/69/48/09/192694809.db2.gz PBXKNCXTYYDHTN-UHFFFAOYSA-N 1 0 318.405 2.370 10 0 DEAERO CC[NH2+][C@H](Cc1c(Br)c(C)nn1C)[C@H](C)OCC ZINC000089251823 192751600 /nfs/dbraw/zinc/75/16/00/192751600.db2.gz HLOCZHINGXFTKN-WDEREUQCSA-N 1 0 318.259 2.437 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H]([NH3+])[C@H]1CCCO1 ZINC000089297841 192761095 /nfs/dbraw/zinc/76/10/95/192761095.db2.gz VQZDYHWCFQPQBK-MWLCHTKSSA-N 1 0 302.216 2.023 10 0 DEAERO CCc1nn(C)c(C[NH2+]C[C@@H]2CCCOC2)c1Br ZINC000089317172 192766390 /nfs/dbraw/zinc/76/63/90/192766390.db2.gz GXSJNNKJDODQPP-JTQLQIEISA-N 1 0 316.243 2.261 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccccc2O)C12CCOCC2 ZINC000186307127 199941215 /nfs/dbraw/zinc/94/12/15/199941215.db2.gz XIZCDYMICYBQSY-IAGOWNOFSA-N 1 0 305.418 2.499 10 0 DEAERO CCc1nn(C)c(CO[C@H]2CCC[C@H]2C[NH3+])c1Br ZINC000089321243 192767124 /nfs/dbraw/zinc/76/71/24/192767124.db2.gz SCKOQZCUIYAHAH-CABZTGNLSA-N 1 0 316.243 2.389 10 0 DEAERO CCCCN(CC[NH3+])Cc1c(Br)c(CC)nn1C ZINC000089320564 192767239 /nfs/dbraw/zinc/76/72/39/192767239.db2.gz CDFROKOQVJZDPR-UHFFFAOYSA-N 1 0 317.275 2.306 10 0 DEAERO CCOC[C@@H]([NH3+])Cc1c(Br)c(CC)nn1CC ZINC000089361672 192772815 /nfs/dbraw/zinc/77/28/15/192772815.db2.gz YUQVFLNAGBWWCJ-VIFPVBQESA-N 1 0 304.232 2.134 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1cccc(Br)c1 ZINC000089460342 192794421 /nfs/dbraw/zinc/79/44/21/192794421.db2.gz RCQZQBKNBBAWLG-AAEUAGOBSA-N 1 0 311.223 2.440 10 0 DEAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)COc1ccccc1C(C)(C)C ZINC000186738212 200000241 /nfs/dbraw/zinc/00/02/41/200000241.db2.gz RXFVIGIVPBXMAL-ZFWWWQNUSA-N 1 0 304.434 2.477 10 0 DEAERO C[N@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)CC1(CO)CC1 ZINC000186806185 200014573 /nfs/dbraw/zinc/01/45/73/200014573.db2.gz CQQWHJLLOODART-FUHWJXTLSA-N 1 0 319.445 2.146 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)NCc1cc(F)ccc1OC ZINC000187106499 200062893 /nfs/dbraw/zinc/06/28/93/200062893.db2.gz XJXBCWMZEXOXSH-UHFFFAOYSA-N 1 0 311.401 2.365 10 0 DEAERO COC(=O)c1ccccc1CC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000187120142 200065249 /nfs/dbraw/zinc/06/52/49/200065249.db2.gz UUGZYJVSDCNLDA-HOCLYGCPSA-N 1 0 304.434 2.430 10 0 DEAERO CCc1cc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)n(C)n1 ZINC000187219943 200079165 /nfs/dbraw/zinc/07/91/65/200079165.db2.gz SRZURUWLZYZOBL-CYBMUJFWSA-N 1 0 307.442 2.369 10 0 DEAERO C[C@H]([NH2+]Cc1ccc(Cl)cn1)C1CCS(=O)(=O)CC1 ZINC000187420759 200110790 /nfs/dbraw/zinc/11/07/90/200110790.db2.gz JIPUJLPMWMUNAH-JTQLQIEISA-N 1 0 302.827 2.038 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2cc(F)ccc2OC)C1 ZINC000187781833 200155520 /nfs/dbraw/zinc/15/55/20/200155520.db2.gz CTEWQROYPOXINK-HNNXBMFYSA-N 1 0 323.412 2.460 10 0 DEAERO CC(C)c1nc([C@H]2CCCN2C(=O)c2coc(C[NH3+])c2)no1 ZINC000187625167 200137047 /nfs/dbraw/zinc/13/70/47/200137047.db2.gz PXNZGGODAKPAFK-GFCCVEGCSA-N 1 0 304.350 2.222 10 0 DEAERO CC1CCN(C(=O)C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000188088600 200192616 /nfs/dbraw/zinc/19/26/16/200192616.db2.gz XDJLCARXQWQKBQ-HOTGVXAUSA-N 1 0 322.474 2.014 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000188462391 200251017 /nfs/dbraw/zinc/25/10/17/200251017.db2.gz AEOXDKKSJGXUDQ-HNNXBMFYSA-N 1 0 305.422 2.493 10 0 DEAERO CC[C@@]1(C)CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000188682882 200286211 /nfs/dbraw/zinc/28/62/11/200286211.db2.gz YUOORCLENXYFHG-WMZOPIPTSA-N 1 0 304.434 2.187 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000188934236 200324282 /nfs/dbraw/zinc/32/42/82/200324282.db2.gz JQCZVLFMCJFYHV-XJKSGUPXSA-N 1 0 308.397 2.189 10 0 DEAERO O[C@@H](C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)CC(F)(F)F ZINC000189366868 200389049 /nfs/dbraw/zinc/38/90/49/200389049.db2.gz ATRQTRLDHZSMAM-NWDGAFQWSA-N 1 0 303.328 2.129 10 0 DEAERO COC[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000601831660 360167178 /nfs/dbraw/zinc/16/71/78/360167178.db2.gz GXQGVQNGXWSAFJ-HRDYMLBCSA-N 1 0 309.250 2.056 10 0 DEAERO CSCCCCNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000602455389 360381515 /nfs/dbraw/zinc/38/15/15/360381515.db2.gz RVUXWZCQOJBYJU-DZGCQCFKSA-N 1 0 310.463 2.178 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000604161813 360887413 /nfs/dbraw/zinc/88/74/13/360887413.db2.gz NFCNOKQFVHKMJL-YPMHNXCESA-N 1 0 321.396 2.431 10 0 DEAERO O=C(NCCC[NH+]1CCCCC1)Nc1ccc2nccn2c1 ZINC000606583887 361023509 /nfs/dbraw/zinc/02/35/09/361023509.db2.gz RNJMQOHBKWZTMN-UHFFFAOYSA-N 1 0 301.394 2.332 10 0 DEAERO CC[NH+](CC)CC1CCN(c2cc(-n3ccnc3)ncn2)CC1 ZINC000607143497 361070587 /nfs/dbraw/zinc/07/05/87/361070587.db2.gz RBKGRRHPTMLGNZ-UHFFFAOYSA-N 1 0 314.437 2.221 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)CN(C)c2ccc(Cl)cn2)C1 ZINC000608226222 361186763 /nfs/dbraw/zinc/18/67/63/361186763.db2.gz LEFXNURBZSGQIA-AWEZNQCLSA-N 1 0 324.856 2.114 10 0 DEAERO CCc1cnc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)s1 ZINC000608333196 361197951 /nfs/dbraw/zinc/19/79/51/361197951.db2.gz FXYWVAQAPMTUGW-UHFFFAOYSA-N 1 0 308.411 2.108 10 0 DEAERO O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCC(C2CCCC2)CC1 ZINC000608501899 361227804 /nfs/dbraw/zinc/22/78/04/361227804.db2.gz COFBIUXVVJMDQQ-ROUUACIJSA-N 1 0 311.466 2.445 10 0 DEAERO COc1ccc(OC(F)F)c(CNC(=O)CC[C@H](C)[NH3+])c1 ZINC000193284354 201020636 /nfs/dbraw/zinc/02/06/36/201020636.db2.gz YBFDCAXUZLVLLN-VIFPVBQESA-N 1 0 302.321 2.040 10 0 DEAERO CCOCCOCC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193438857 201052484 /nfs/dbraw/zinc/05/24/84/201052484.db2.gz NMAOTNYMHWRKCD-KRWDZBQOSA-N 1 0 316.401 2.009 10 0 DEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194111699 201180417 /nfs/dbraw/zinc/18/04/17/201180417.db2.gz ZZDWNYZLTYTCLZ-APIJFGDWSA-N 1 0 302.422 2.359 10 0 DEAERO CCOC(=O)CC[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611406208 361593961 /nfs/dbraw/zinc/59/39/61/361593961.db2.gz VXJHHFZDLRUALF-HNNXBMFYSA-N 1 0 307.390 2.470 10 0 DEAERO OCC[NH+]1CCN(CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000194401768 201218013 /nfs/dbraw/zinc/21/80/13/201218013.db2.gz KEDODPSZSMCQAE-UHFFFAOYSA-N 1 0 303.233 2.146 10 0 DEAERO CCN1C[C@H](CN(C)[C@@H](C(=O)OC)C2CC2)Oc2ccccc21 ZINC000611660055 361653812 /nfs/dbraw/zinc/65/38/12/361653812.db2.gz MTWAISFDNPXVME-WMLDXEAASA-N 1 0 318.417 2.157 10 0 DEAERO CCO[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000195187358 201356252 /nfs/dbraw/zinc/35/62/52/201356252.db2.gz HYABEWLPQHMHAH-IAGOWNOFSA-N 1 0 317.433 2.254 10 0 DEAERO C[C@@H]1CCC[C@@H](n2nnc(C[NH3+])c2I)C1 ZINC000675051154 541285690 /nfs/dbraw/zinc/28/56/90/541285690.db2.gz BWDPXITXWKSHHQ-HTQZYQBOSA-N 1 0 320.178 2.093 10 0 DEAERO OC1CC(C[NH2+]C[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000090905289 192945254 /nfs/dbraw/zinc/94/52/54/192945254.db2.gz QTLSPHXBBIFQLQ-UTVJUBTNSA-N 1 0 312.207 2.113 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2F)CC12COC2 ZINC000449362534 240391819 /nfs/dbraw/zinc/39/18/19/240391819.db2.gz KOKMRROVTLSEKK-CQSZACIVSA-N 1 0 307.365 2.146 10 0 DEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000623765771 365166519 /nfs/dbraw/zinc/16/65/19/365166519.db2.gz WYTMDCHBWHYCGV-NWDGAFQWSA-N 1 0 320.614 2.342 10 0 DEAERO c1cc(CN2CCO[C@@H](C[NH2+]CC3CCCCC3)C2)ccn1 ZINC000623780109 365172570 /nfs/dbraw/zinc/17/25/70/365172570.db2.gz AKIDRDLJPUYVRC-SFHVURJKSA-N 1 0 303.450 2.452 10 0 DEAERO c1cc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cs1 ZINC000623780823 365173702 /nfs/dbraw/zinc/17/37/02/365173702.db2.gz YOASDCQRIGEWPO-MRXNPFEDSA-N 1 0 303.431 2.134 10 0 DEAERO C[NH2+]Cc1ccc(Br)cc1N(C)CC1CC(O)C1 ZINC000091464374 193059417 /nfs/dbraw/zinc/05/94/17/193059417.db2.gz GIHKKYCTMKXUEB-UHFFFAOYSA-N 1 0 313.239 2.376 10 0 DEAERO CN(CC1CC(O)C1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000091451484 193058703 /nfs/dbraw/zinc/05/87/03/193058703.db2.gz QHVNYXLZBUIKCH-RTBKNWGFSA-N 1 0 319.268 2.213 10 0 DEAERO C1=CC[NH+]([C@H]2CCN(c3nc4ccccc4n4cncc34)C2)C1 ZINC000623997454 365248786 /nfs/dbraw/zinc/24/87/86/365248786.db2.gz NBNOWUYOKNWVAV-AWEZNQCLSA-N 1 0 305.385 2.333 10 0 DEAERO C[S@](=O)CC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000091341902 193044044 /nfs/dbraw/zinc/04/40/44/193044044.db2.gz UUBRPKCUEHAMGI-MLGOLLRUSA-N 1 0 302.237 2.405 10 0 DEAERO Cc1cc(F)cc(NS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000091516513 193068287 /nfs/dbraw/zinc/06/82/87/193068287.db2.gz FMCPWQAMIDTATF-ZDUSSCGKSA-N 1 0 300.399 2.408 10 0 DEAERO [NH3+]CC1CC(OCC(=O)Nc2cccc(Br)c2)C1 ZINC000091461458 193059457 /nfs/dbraw/zinc/05/94/57/193059457.db2.gz PXBKFRNXFGDYCR-UHFFFAOYSA-N 1 0 313.195 2.142 10 0 DEAERO CC[C@@H](c1noc(-c2ccncc2Cl)n1)N1CC[NH2+]CC1 ZINC000091464218 193059798 /nfs/dbraw/zinc/05/97/98/193059798.db2.gz OMWWPZUACRMDPR-LBPRGKRZSA-N 1 0 307.785 2.141 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H](O)C[NH2+]C(C)(C)C ZINC000091466599 193060482 /nfs/dbraw/zinc/06/04/82/193060482.db2.gz GYXKJFAJRLIWQD-SNVBAGLBSA-N 1 0 318.259 2.265 10 0 DEAERO C[NH2+]CC1CC(Oc2ccc(C(N)=O)c(C(F)(F)F)c2)C1 ZINC000091474854 193061296 /nfs/dbraw/zinc/06/12/96/193061296.db2.gz HOFGVMTVUYUEMT-UHFFFAOYSA-N 1 0 302.296 2.181 10 0 DEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)C1(N(C)C)CCCCC1 ZINC000091647721 193084791 /nfs/dbraw/zinc/08/47/91/193084791.db2.gz UAOYBHVYOYVKPM-OAHLLOKOSA-N 1 0 318.527 2.444 10 0 DEAERO c1ccc2c(c1)CC([NH2+]C[C@H]1CN(Cc3ccncc3)CCO1)C2 ZINC000624265862 365362146 /nfs/dbraw/zinc/36/21/46/365362146.db2.gz AMXJDLYLHRWKSE-FQEVSTJZSA-N 1 0 323.440 2.039 10 0 DEAERO [NH3+]CC1([C@H](O)c2cc3c(c(Br)c2)OCO3)CCC1 ZINC000091909250 193124535 /nfs/dbraw/zinc/12/45/35/193124535.db2.gz JXXOQRDBGMBNBT-GFCCVEGCSA-N 1 0 314.179 2.340 10 0 DEAERO COCC[NH2+]Cc1ncoc1-c1ccc(Br)o1 ZINC000091959572 193133281 /nfs/dbraw/zinc/13/32/81/193133281.db2.gz ZVVSBBSVJCBPAB-UHFFFAOYSA-N 1 0 301.140 2.433 10 0 DEAERO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)CC2(O)CCOCC2)c1 ZINC000630036699 367446685 /nfs/dbraw/zinc/44/66/85/367446685.db2.gz OEYLOLNBDPDKTH-QZTJIDSGSA-N 1 0 319.445 2.424 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000450663232 242079589 /nfs/dbraw/zinc/07/95/89/242079589.db2.gz RONPLPQGVDDKLP-NOZJJQNGSA-N 1 0 300.196 2.440 10 0 DEAERO Cc1nn(C)cc1CC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000450701072 242116087 /nfs/dbraw/zinc/11/60/87/242116087.db2.gz VMHMITPLNZAFMF-KBXCAEBGSA-N 1 0 314.433 2.079 10 0 DEAERO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C[C@H]1COCCO1 ZINC000450750699 242173108 /nfs/dbraw/zinc/17/31/08/242173108.db2.gz BRXGNDXCAOUBBF-ZWKOTPCHSA-N 1 0 306.450 2.148 10 0 DEAERO [NH3+]C[C@H]1CN(c2nnc(C(F)F)s2)CC[C@H]1C(F)(F)F ZINC000630527804 367708395 /nfs/dbraw/zinc/70/83/95/367708395.db2.gz WAUBHSFMRHZYOO-NTSWFWBYSA-N 1 0 316.299 2.439 10 0 DEAERO Cc1ccnc(NCC2([NH3+])CCOCC2)c1Br ZINC000630527747 367708641 /nfs/dbraw/zinc/70/86/41/367708641.db2.gz UOHXZFDAHPUSBZ-UHFFFAOYSA-N 1 0 300.200 2.072 10 0 DEAERO CC[NH2+]Cc1csc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092113451 193161151 /nfs/dbraw/zinc/16/11/51/193161151.db2.gz CXSSRQHABRSTPE-PHIMTYICSA-N 1 0 302.465 2.134 10 0 DEAERO Cc1oc(C[NH2+]C2CC2)cc1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092113497 193161164 /nfs/dbraw/zinc/16/11/64/193161164.db2.gz FOKMRVOHWIFCES-QWRGUYRKSA-N 1 0 312.435 2.117 10 0 DEAERO CCc1ccc(C[NH2+]C)cc1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113823 193161843 /nfs/dbraw/zinc/16/18/43/193161843.db2.gz YGULWOFSJUSKHZ-BETUJISGSA-N 1 0 310.463 2.245 10 0 DEAERO CC[C@@H]1CCCN1S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115746 193163532 /nfs/dbraw/zinc/16/35/32/193163532.db2.gz AJYUTPXTSGBMCI-GFCCVEGCSA-N 1 0 300.399 2.108 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC[C@H](C)C(C)C)c(F)c1 ZINC000092116248 193163872 /nfs/dbraw/zinc/16/38/72/193163872.db2.gz FUHRYBLCOKJHFS-NSHDSACASA-N 1 0 302.415 2.116 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C)c(F)c1 ZINC000092116073 193163910 /nfs/dbraw/zinc/16/39/10/193163910.db2.gz LHDXKYQOLRIVLY-ZWNOBZJWSA-N 1 0 300.399 2.010 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CC2(C)C)c(F)c1 ZINC000092116019 193164601 /nfs/dbraw/zinc/16/46/01/193164601.db2.gz ATJAMVBPVIWJSH-AWEZNQCLSA-N 1 0 314.426 2.401 10 0 DEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000631182962 368067350 /nfs/dbraw/zinc/06/73/50/368067350.db2.gz GPQZPKKOEZKMPE-WDEREUQCSA-N 1 0 320.614 2.342 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000092206607 193172822 /nfs/dbraw/zinc/17/28/22/193172822.db2.gz VWGBUIUDOHTKKL-WDEREUQCSA-N 1 0 300.280 2.105 10 0 DEAERO CN(Cc1cccc(Br)c1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092205821 193173070 /nfs/dbraw/zinc/17/30/70/193173070.db2.gz TWJUGKPFIQQFAT-DGCLKSJQSA-N 1 0 309.207 2.311 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc(Cl)c2-n2cccn2)C1 ZINC000092204135 193173096 /nfs/dbraw/zinc/17/30/96/193173096.db2.gz DUAYLIQNVSRGQK-WDEREUQCSA-N 1 0 302.765 2.368 10 0 DEAERO CN(Cc1ccccc1Br)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204370 193173215 /nfs/dbraw/zinc/17/32/15/193173215.db2.gz ULZXAMAMLCIVIK-ZYHUDNBSSA-N 1 0 309.207 2.311 10 0 DEAERO c1cc(C[NH2+][C@@H]2COC3(CCC3)C2)cc(N2CCSCC2)n1 ZINC000631723349 368358577 /nfs/dbraw/zinc/35/85/77/368358577.db2.gz HSGCCPRWLBPPQG-HNNXBMFYSA-N 1 0 319.474 2.436 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCCCC[C@H]([NH3+])C1 ZINC000631832357 368410739 /nfs/dbraw/zinc/41/07/39/368410739.db2.gz DIVJUXDFWLOUDR-ZFWWWQNUSA-N 1 0 317.433 2.420 10 0 DEAERO Brc1cnc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)s1 ZINC000631890978 368444849 /nfs/dbraw/zinc/44/48/49/368444849.db2.gz VJAAEVQRDLVAKX-NXEZZACHSA-N 1 0 316.268 2.480 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)s1 ZINC000631959812 368466902 /nfs/dbraw/zinc/46/69/02/368466902.db2.gz BVJYMPSGVZZCOM-LLVKDONJSA-N 1 0 302.465 2.203 10 0 DEAERO Cc1cc(S(=O)(=O)NC2(C[NH3+])CCCCC2)c(C)s1 ZINC000631980929 368480243 /nfs/dbraw/zinc/48/02/43/368480243.db2.gz JNIMKWSNNVGYKR-UHFFFAOYSA-N 1 0 302.465 2.305 10 0 DEAERO COCC[C@@H]([NH2+]C[C@H](O)COC)c1cccc(C(F)(F)F)c1 ZINC000451695499 243316514 /nfs/dbraw/zinc/31/65/14/243316514.db2.gz QGCDZGRMIQWRKK-UONOGXRCSA-N 1 0 321.339 2.380 10 0 DEAERO CC(C)(CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(Cl)cc1 ZINC000261801153 203119649 /nfs/dbraw/zinc/11/96/49/203119649.db2.gz OCTWGFPDIOEMKP-KGLIPLIRSA-N 1 0 310.825 2.240 10 0 DEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261823978 203125934 /nfs/dbraw/zinc/12/59/34/203125934.db2.gz SXLCDYBONLUMNV-ZYHUDNBSSA-N 1 0 323.824 2.403 10 0 DEAERO CC(C)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cc1 ZINC000261848546 203132483 /nfs/dbraw/zinc/13/24/83/203132483.db2.gz AZWYMCMYAIASGC-SJORKVTESA-N 1 0 312.417 2.485 10 0 DEAERO [NH3+]C[C@H](c1ccc(F)cc1)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000093151011 193208621 /nfs/dbraw/zinc/20/86/21/193208621.db2.gz DCTHBOCNRAPMIZ-CABCVRRESA-N 1 0 305.374 2.439 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@]12CC[NH2+]C[C@@H]2c1cccc(F)c1 ZINC000093173991 193210953 /nfs/dbraw/zinc/21/09/53/193210953.db2.gz HMTNTRDORJUBNF-OAGGEKHMSA-N 1 0 311.422 2.486 10 0 DEAERO C[S@](=O)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262485256 203307545 /nfs/dbraw/zinc/30/75/45/203307545.db2.gz ULOAGPAETSZNJT-SAQLIBDLSA-N 1 0 320.458 2.424 10 0 DEAERO Brc1cncnc1N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000275034991 212086199 /nfs/dbraw/zinc/08/61/99/212086199.db2.gz LCXZRXVAOXHYJD-LLVKDONJSA-N 1 0 311.227 2.304 10 0 DEAERO CC(C)c1ccc(CC2([C@@H]3CCS(=O)(=O)C3)C[NH2+]C2)cc1 ZINC000093195391 193214525 /nfs/dbraw/zinc/21/45/25/193214525.db2.gz PDDSNLJZADETAI-MRXNPFEDSA-N 1 0 307.459 2.377 10 0 DEAERO COC(C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC000093214476 193217780 /nfs/dbraw/zinc/21/77/80/193217780.db2.gz RPYAJAYPYHKALC-NEPJUHHUSA-N 1 0 302.415 2.031 10 0 DEAERO [NH3+][C@H]1CCC[C@H](Oc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000093220206 193218497 /nfs/dbraw/zinc/21/84/97/193218497.db2.gz JNSOQKVESNHINC-ONGXEEELSA-N 1 0 305.346 2.332 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(CC)C[C@@H](C)CC)c[nH]1 ZINC000093265794 193222616 /nfs/dbraw/zinc/22/26/16/193222616.db2.gz HGRHJELFEOPGMB-LBPRGKRZSA-N 1 0 301.456 2.181 10 0 DEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1cc(C[NH2+]C)n(CC)c1 ZINC000093265895 193222785 /nfs/dbraw/zinc/22/27/85/193222785.db2.gz VOBPCHJJJCTNBK-ZDUSSCGKSA-N 1 0 315.483 2.284 10 0 DEAERO C[S@](=O)C[C@@H](NC(=O)CCCCCC[NH3+])c1ccccc1 ZINC000262628173 203356071 /nfs/dbraw/zinc/35/60/71/203356071.db2.gz MCCCLQFPHHGWJI-VFNWGFHPSA-N 1 0 310.463 2.132 10 0 DEAERO Cc1c(C[S@](C)=O)cccc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262615968 203351893 /nfs/dbraw/zinc/35/18/93/203351893.db2.gz DAHGIUDVEGSUHD-VUCVNMQBSA-N 1 0 308.447 2.330 10 0 DEAERO CCCCOCCOCC[C@@H]1CCC[C@@]1([NH3+])C(=O)OCC ZINC000093618571 193275084 /nfs/dbraw/zinc/27/50/84/193275084.db2.gz OLGWRQUYKUKWGQ-HOCLYGCPSA-N 1 0 301.427 2.271 10 0 DEAERO CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCn1nc(C)c(Cl)c1C ZINC000093615452 193275506 /nfs/dbraw/zinc/27/55/06/193275506.db2.gz FWIJZOFCMCJXCZ-SWLSCSKDSA-N 1 0 312.845 2.177 10 0 DEAERO Cc1nn(CC[C@@H]2CCC[C@]2(O)C[NH3+])c(C)c1Br ZINC000093627277 193276642 /nfs/dbraw/zinc/27/66/42/193276642.db2.gz ZTDPSPQIZQBRBD-AAEUAGOBSA-N 1 0 316.243 2.142 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Br)c(CC)nn1C)[C@H](C)OC ZINC000093690687 193289899 /nfs/dbraw/zinc/28/98/99/193289899.db2.gz DTRACTNLVBCENN-ONGXEEELSA-N 1 0 318.259 2.301 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCCC1 ZINC000093696816 193291639 /nfs/dbraw/zinc/29/16/39/193291639.db2.gz IJWQXRLCFHUPMJ-ZIAGYGMSSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccsc1 ZINC000093696866 193291641 /nfs/dbraw/zinc/29/16/41/193291641.db2.gz WPUNRCYDNANQBK-VXGBXAGGSA-N 1 0 302.465 2.070 10 0 DEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696616 193291891 /nfs/dbraw/zinc/29/18/91/193291891.db2.gz SAJOXAPIMVFICZ-LSDHHAIUSA-N 1 0 310.463 2.317 10 0 DEAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)c(C)o1 ZINC000093696715 193292085 /nfs/dbraw/zinc/29/20/85/193292085.db2.gz SPPZRNQTXKUWFO-OCCSQVGLSA-N 1 0 314.451 2.219 10 0 DEAERO C[C@]([NH3+])(C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000093699165 193293524 /nfs/dbraw/zinc/29/35/24/193293524.db2.gz NNMUUDOOAFFYJH-DOMZBBRYSA-N 1 0 314.426 2.061 10 0 DEAERO CC[C@H](C[NH2+]CC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701443 193295082 /nfs/dbraw/zinc/29/50/82/193295082.db2.gz FDUVGQPHNGBDKG-GJZGRUSLSA-N 1 0 304.500 2.320 10 0 DEAERO CCC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]([N@H+](CC)CCOCC)C1 ZINC000093755076 193299257 /nfs/dbraw/zinc/29/92/57/193299257.db2.gz HVZBWJRDHFOUOS-GDBMZVCRSA-N 1 0 300.443 2.110 10 0 DEAERO Cc1ccc2[nH]c(S[C@@H]3CCC[C@@]([NH3+])(C(N)=O)C3)nc2c1 ZINC000093779494 193305517 /nfs/dbraw/zinc/30/55/17/193305517.db2.gz JYPRALNDSKZNAM-BMIGLBTASA-N 1 0 304.419 2.089 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)o1 ZINC000262782677 203403638 /nfs/dbraw/zinc/40/36/38/203403638.db2.gz NMMLNUAJYBARMR-CHWSQXEVSA-N 1 0 302.378 2.200 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc2c1OCCO2 ZINC000093820171 193312980 /nfs/dbraw/zinc/31/29/80/193312980.db2.gz JITSQMCPDNVTNJ-KRWDZBQOSA-N 1 0 305.374 2.079 10 0 DEAERO CCOc1ccc2[nH]c(S[C@H]3CC[C@@]([NH3+])(CO)C3)nc2c1 ZINC000093860982 193319664 /nfs/dbraw/zinc/31/96/64/193319664.db2.gz MLVAXRJNIDCAHM-NHYWBVRUSA-N 1 0 307.419 2.296 10 0 DEAERO C[NH2+][C@]1(CO)CC[C@H](Sc2nc3cc(OC)ccc3[nH]2)C1 ZINC000093860439 193320219 /nfs/dbraw/zinc/32/02/19/193320219.db2.gz GUEVGVJHYIYQGI-XHDPSFHLSA-N 1 0 307.419 2.167 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(F)cc1F ZINC000093878230 193322138 /nfs/dbraw/zinc/32/21/38/193322138.db2.gz QIBFLKRPIHHNPJ-UHFFFAOYSA-N 1 0 320.405 2.350 10 0 DEAERO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CN(C)CCN1C ZINC000093894636 193325120 /nfs/dbraw/zinc/32/51/20/193325120.db2.gz ZSMHPYVTHVDKNE-UONOGXRCSA-N 1 0 302.249 2.500 10 0 DEAERO CCC(C)(C)[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)CCS(C)(=O)=O)C1 ZINC000094297593 193357208 /nfs/dbraw/zinc/35/72/08/193357208.db2.gz USNGDTZWJWWHOR-RRFJBIMHSA-N 1 0 318.527 2.143 10 0 DEAERO CCCNC(=O)[C@H](C)Oc1c(F)cc(C[C@@H](C)[NH3+])cc1F ZINC000094350174 193363594 /nfs/dbraw/zinc/36/35/94/193363594.db2.gz LSXQNCCHVSIOFH-ZJUUUORDSA-N 1 0 300.349 2.148 10 0 DEAERO Cc1ccccc1S(=O)(=O)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094024196 193339814 /nfs/dbraw/zinc/33/98/14/193339814.db2.gz SOOIBQDGBCUTBL-UHFFFAOYSA-N 1 0 308.447 2.148 10 0 DEAERO CC(C)N(CC1CC[NH2+]CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000094044299 193340671 /nfs/dbraw/zinc/34/06/71/193340671.db2.gz LVPQLCNZYIXVNE-UHFFFAOYSA-N 1 0 310.463 2.305 10 0 DEAERO CCOC(=O)c1ccc(N[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000094078326 193343872 /nfs/dbraw/zinc/34/38/72/193343872.db2.gz DRRHGKYDLNHMMU-SNVBAGLBSA-N 1 0 313.195 2.400 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H](N(CCC[NH3+])c2ccccc2)C1 ZINC000094634598 193386398 /nfs/dbraw/zinc/38/63/98/193386398.db2.gz RGUHEHCPODKRKO-JKSUJKDBSA-N 1 0 310.463 2.198 10 0 DEAERO C[C@H]([NH3+])Cc1cccc(O[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000094643237 193388758 /nfs/dbraw/zinc/38/87/58/193388758.db2.gz YXQANMFLUYRPBE-RCBQFDQVSA-N 1 0 311.447 2.311 10 0 DEAERO CC[NH2+][C@H](Cc1ccncc1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642132 193388954 /nfs/dbraw/zinc/38/89/54/193388954.db2.gz RAQQAJJZEADDDT-OWCLPIDISA-N 1 0 310.463 2.206 10 0 DEAERO CC(C)(C)[NH2+]Cc1ncnn1[C@H]1CCO[C@]2(CCSC2)C1 ZINC000094412845 193368411 /nfs/dbraw/zinc/36/84/11/193368411.db2.gz SRANWOUADFREMP-SWLSCSKDSA-N 1 0 310.467 2.393 10 0 DEAERO CC(C)[NH2+]Cc1ncnn1[C@H]1CCOC2(CCSCC2)C1 ZINC000094412817 193368415 /nfs/dbraw/zinc/36/84/15/193368415.db2.gz ZRUIEXXVSGCRQS-ZDUSSCGKSA-N 1 0 310.467 2.393 10 0 DEAERO CCOC(=O)C[C@]1([NH+]2CCN(C)CC2)CSCCC1(C)C ZINC000094485593 193372688 /nfs/dbraw/zinc/37/26/88/193372688.db2.gz HLISKKTWJKWPGD-INIZCTEOSA-N 1 0 314.495 2.089 10 0 DEAERO CC[N@@H+]1CCC[C@H](Nc2nc(Br)cn3ccnc23)C1 ZINC000094488920 193373218 /nfs/dbraw/zinc/37/32/18/193373218.db2.gz HRFKXAABCWQNBO-JTQLQIEISA-N 1 0 324.226 2.388 10 0 DEAERO CCC[NH2+][C@H](Cc1cccc(Cl)c1)[C@@H]1CN2CCN1CC2 ZINC000094510981 193375086 /nfs/dbraw/zinc/37/50/86/193375086.db2.gz LWKDGWONISUMTP-SJORKVTESA-N 1 0 307.869 2.251 10 0 DEAERO C[NH2+][C@@H](Cc1c(Cl)cccc1Cl)[C@H]1CN2CCN1CC2 ZINC000094509039 193376080 /nfs/dbraw/zinc/37/60/80/193376080.db2.gz XFTYKRDXUVTDOK-LSDHHAIUSA-N 1 0 314.260 2.124 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@H]1CN2CCN1CC2 ZINC000094510755 193376122 /nfs/dbraw/zinc/37/61/22/193376122.db2.gz XNNRQDIKZGKRFU-IAGOWNOFSA-N 1 0 307.869 2.251 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000094549680 193378804 /nfs/dbraw/zinc/37/88/04/193378804.db2.gz HGKBDWJVMBSFJO-PRHODGIISA-N 1 0 315.186 2.398 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2ccc(Br)cc2F)C1 ZINC000094549379 193378858 /nfs/dbraw/zinc/37/88/58/193378858.db2.gz PJLDWBYKMBGQMM-WPRPVWTQSA-N 1 0 315.186 2.398 10 0 DEAERO CSc1nc2ccc(NC(=O)[C@H]3CC[C@H](C[NH3+])O3)cc2s1 ZINC000094566062 193380663 /nfs/dbraw/zinc/38/06/63/193380663.db2.gz MBPMPXZCGZOROD-MWLCHTKSSA-N 1 0 323.443 2.463 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)O1 ZINC000094564528 193380882 /nfs/dbraw/zinc/38/08/82/193380882.db2.gz RACHKUISDHWKJY-WCQYABFASA-N 1 0 317.216 2.158 10 0 DEAERO CC[NH2+][C@@H](c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 ZINC000094839910 193402744 /nfs/dbraw/zinc/40/27/44/193402744.db2.gz WEJBXHYTRDTSFY-GZMMTYOYSA-N 1 0 322.224 2.127 10 0 DEAERO CC[NH2+][C@H](Cc1nc(C)c(C)s1)[C@H]1CN(C(C)C)CCO1 ZINC000094974630 193410602 /nfs/dbraw/zinc/41/06/02/193410602.db2.gz YLZZIGOHZLOVPU-HUUCEWRRSA-N 1 0 311.495 2.390 10 0 DEAERO Cc1cc(C)cc(CS(=O)(=O)[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000094721253 193394112 /nfs/dbraw/zinc/39/41/12/193394112.db2.gz UNQYDKCMIOGUIP-LBPRGKRZSA-N 1 0 309.353 2.498 10 0 DEAERO Cc1nccc([C@@H]2C[C@@H]3CC[N@@H+](C4CCOCC4)C[C@H]3O2)n1 ZINC000096046374 193498264 /nfs/dbraw/zinc/49/82/64/193498264.db2.gz LHYULAZZBLZPBK-RRQGHBQHSA-N 1 0 303.406 2.116 10 0 DEAERO C[N@@H+]1CCCN(c2cc(F)c(Br)cc2N)CC1 ZINC000097368191 193711455 /nfs/dbraw/zinc/71/14/55/193711455.db2.gz PKCPOKDEIJCRJL-UHFFFAOYSA-N 1 0 302.191 2.312 10 0 DEAERO CCCn1ncc(Br)c1[C@H]([NH3+])[C@H]1CSCCO1 ZINC000161325438 197486127 /nfs/dbraw/zinc/48/61/27/197486127.db2.gz FGVJULLWFGJPKF-NXEZZACHSA-N 1 0 320.256 2.187 10 0 DEAERO CC[NH2+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1cccc2c1OCC2 ZINC000097460628 193721933 /nfs/dbraw/zinc/72/19/33/193721933.db2.gz QIXSLNOPADDRQC-DOMZBBRYSA-N 1 0 309.431 2.097 10 0 DEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc(Br)s2)CCO1 ZINC000019266431 182111477 /nfs/dbraw/zinc/11/14/77/182111477.db2.gz HAJWAOYPOPXXLT-IUCAKERBSA-N 1 0 305.241 2.231 10 0 DEAERO CCN1CCN([C@@H](C[NH3+])c2ccc(Br)s2)CC1 ZINC000019281785 182112130 /nfs/dbraw/zinc/11/21/30/182112130.db2.gz APZHQJIOIFSWPJ-JTQLQIEISA-N 1 0 318.284 2.148 10 0 DEAERO Cc1cc(Br)cc(CC[NH3+])c1OCc1ncon1 ZINC000160902831 197448597 /nfs/dbraw/zinc/44/85/97/197448597.db2.gz WVKCYLQIXMZTGL-UHFFFAOYSA-N 1 0 312.167 2.221 10 0 DEAERO COc1ccccc1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000019770610 182145332 /nfs/dbraw/zinc/14/53/32/182145332.db2.gz HTCZRIYCXBQJQA-GOSISDBHSA-N 1 0 317.477 2.297 10 0 DEAERO CCc1ccc(OCC(=O)N2CC[NH2+]CC2)c(C(C)(C)C)c1 ZINC000019795590 182151107 /nfs/dbraw/zinc/15/11/07/182151107.db2.gz VONPISRXTGVWRR-UHFFFAOYSA-N 1 0 304.434 2.357 10 0 DEAERO CC(C)C[NH2+]Cc1nnc(-n2cc(Br)cn2)s1 ZINC000160414302 197408213 /nfs/dbraw/zinc/40/82/13/197408213.db2.gz DAMOSYHIKGOMGN-UHFFFAOYSA-N 1 0 316.228 2.232 10 0 DEAERO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH3+])c2cccs2)CC1 ZINC000020179230 182194528 /nfs/dbraw/zinc/19/45/28/182194528.db2.gz QXEUWYLNHZBUBK-LBPRGKRZSA-N 1 0 311.451 2.301 10 0 DEAERO C[C@](O)(C[NH2+]C1CC1)COc1cc(F)ccc1Br ZINC000160209799 197393391 /nfs/dbraw/zinc/39/33/91/197393391.db2.gz HVOSCRQXTQEVIL-ZDUSSCGKSA-N 1 0 318.186 2.470 10 0 DEAERO Nc1ccc(Cl)cc1NC(=O)CCC[NH+]1CCC(O)CC1 ZINC000020552523 182230848 /nfs/dbraw/zinc/23/08/48/182230848.db2.gz RMMIOBJSGLMCJP-UHFFFAOYSA-N 1 0 311.813 2.098 10 0 DEAERO CC(C)[NH+](CCNC(=O)c1cccc(C(N)=S)c1)C(C)C ZINC000021511548 182276775 /nfs/dbraw/zinc/27/67/75/182276775.db2.gz MQMMWXCJTHADMK-UHFFFAOYSA-N 1 0 307.463 2.169 10 0 DEAERO CCN(CCOC(=O)c1ccc(N)cc1)CC[NH+](CC)CC ZINC000022463132 182322078 /nfs/dbraw/zinc/32/20/78/182322078.db2.gz GFFFJSWQOUVZCY-UHFFFAOYSA-N 1 0 307.438 2.089 10 0 in-man DEAERO C[NH+](C)[C@@H](CNC(=O)c1nnc(Cl)s1)c1cccs1 ZINC000159854521 197369003 /nfs/dbraw/zinc/36/90/03/197369003.db2.gz ISKHOBJFGNVGMK-ZETCQYMHSA-N 1 0 316.839 2.286 10 0 DEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(C)cc(C(=O)OC)c2)CC1 ZINC000457869958 248053108 /nfs/dbraw/zinc/05/31/08/248053108.db2.gz IYQFYZHWWMXIFL-AWEZNQCLSA-N 1 0 318.417 2.338 10 0 DEAERO Cc1cc(C[C@@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)[nH]n1 ZINC000458561513 248375579 /nfs/dbraw/zinc/37/55/79/248375579.db2.gz XMHBNNYIGTYWMM-GFCCVEGCSA-N 1 0 309.458 2.069 10 0 DEAERO Cn1cc2c(n1)CCC[C@H]2NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458770921 248477545 /nfs/dbraw/zinc/47/75/45/248477545.db2.gz NRZDSWRSMHMQMP-CQSZACIVSA-N 1 0 321.469 2.217 10 0 DEAERO Nc1[nH+]ccn1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000037635528 182915425 /nfs/dbraw/zinc/91/54/25/182915425.db2.gz GVAMBHBWVRGZED-UHFFFAOYSA-N 1 0 324.178 2.437 10 0 DEAERO COC(=O)CC[C@@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000037636651 182915477 /nfs/dbraw/zinc/91/54/77/182915477.db2.gz FNLOYNIRVKWVOU-SNVBAGLBSA-N 1 0 302.168 2.411 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000037917580 182936656 /nfs/dbraw/zinc/93/66/56/182936656.db2.gz MFZFBEQZUNPNSU-OLZOCXBDSA-N 1 0 314.476 2.209 10 0 DEAERO O=C(c1ccc(Cl)nn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000038106590 182991264 /nfs/dbraw/zinc/99/12/64/182991264.db2.gz INCSKIIXNXVQNU-UHFFFAOYSA-N 1 0 308.813 2.078 10 0 DEAERO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCOCC1 ZINC000038832726 183011062 /nfs/dbraw/zinc/01/10/62/183011062.db2.gz PBIMCSUCZNLMJD-OAHLLOKOSA-N 1 0 322.836 2.411 10 0 DEAERO C[C@@H]1C[N@H+](CCCC(=O)Nc2ccc(Cl)c(N)c2)CCO1 ZINC000040162730 183042408 /nfs/dbraw/zinc/04/24/08/183042408.db2.gz OYZLLNQEDAUCJL-LLVKDONJSA-N 1 0 311.813 2.362 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000040633636 183111894 /nfs/dbraw/zinc/11/18/94/183111894.db2.gz CLFBUXYQEIRTAH-RNCFNFMXSA-N 1 0 305.765 2.204 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000040630922 183112036 /nfs/dbraw/zinc/11/20/36/183112036.db2.gz MHHMMAMRYWBKAL-WCQYABFASA-N 1 0 317.216 2.029 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2cccc(Cl)c2Cl)C1 ZINC000040634566 183112354 /nfs/dbraw/zinc/11/23/54/183112354.db2.gz JECSNQBFTYERDV-ZYHUDNBSSA-N 1 0 317.216 2.329 10 0 DEAERO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccn3C)cn2)C[C@H](C)O1 ZINC000161657126 291676753 /nfs/dbraw/zinc/67/67/53/291676753.db2.gz XPBUOONJQKHXHI-GASCZTMLSA-N 1 0 314.433 2.324 10 0 DEAERO Nc1cc(N)[nH+]c(SCc2ccc(Br)o2)n1 ZINC000041023891 183156915 /nfs/dbraw/zinc/15/69/15/183156915.db2.gz XMTSLNVTTVMJDK-UHFFFAOYSA-N 1 0 301.169 2.289 10 0 DEAERO C[NH2+]CCCC(=O)NCc1cc(Br)ccc1F ZINC000041069554 183162418 /nfs/dbraw/zinc/16/24/18/183162418.db2.gz SKCPNEUNVNBXDJ-UHFFFAOYSA-N 1 0 303.175 2.204 10 0 DEAERO COc1cccc([C@H]([NH3+])CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000041533090 183198907 /nfs/dbraw/zinc/19/89/07/183198907.db2.gz QDAFRFQXTCCHRM-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO COc1ccc([C@H](CNC(=O)c2cscn2)[NH+](C)C)cc1 ZINC000041499433 183194581 /nfs/dbraw/zinc/19/45/81/183194581.db2.gz IYFNYQOZCWKNBJ-AWEZNQCLSA-N 1 0 305.403 2.184 10 0 DEAERO CCCNS(=O)(=O)c1ccccc1NCCCC[NH+](C)C ZINC000041675523 183215572 /nfs/dbraw/zinc/21/55/72/183215572.db2.gz VJOMBRKATBAWHN-UHFFFAOYSA-N 1 0 313.467 2.129 10 0 DEAERO CC(C)CNC(=O)COc1c(Br)cccc1C[NH3+] ZINC000042411355 183265156 /nfs/dbraw/zinc/26/51/56/183265156.db2.gz VVGPQPKDNFJGLL-UHFFFAOYSA-N 1 0 315.211 2.059 10 0 DEAERO CNC(=O)COc1c(Br)cccc1C[NH2+]C(C)C ZINC000042411884 183266060 /nfs/dbraw/zinc/26/60/60/183266060.db2.gz ZSKUVOUZJVOIPZ-UHFFFAOYSA-N 1 0 315.211 2.072 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cnn(Cc2ccccc2)c1 ZINC000042481256 183275600 /nfs/dbraw/zinc/27/56/00/183275600.db2.gz ACNBJKHUVCRINV-HNNXBMFYSA-N 1 0 314.433 2.392 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1ccccc1F ZINC000043050356 183333138 /nfs/dbraw/zinc/33/31/38/183333138.db2.gz WRXHWOLTMDHAEY-MFKMUULPSA-N 1 0 307.398 2.351 10 0 DEAERO Cn1cnnc1S[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042958967 183323777 /nfs/dbraw/zinc/32/37/77/183323777.db2.gz NCIJIMOGGWLQFD-SNVBAGLBSA-N 1 0 313.224 2.370 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCC[C@@H]1C(=O)NC ZINC000043015789 183327950 /nfs/dbraw/zinc/32/79/50/183327950.db2.gz PHPNBFVCNLXAIM-RRFJBIMHSA-N 1 0 309.841 2.329 10 0 DEAERO CC(C)N(CC(F)(F)F)S(=O)(=O)c1ccccc1C[NH3+] ZINC000042768661 183307021 /nfs/dbraw/zinc/30/70/21/183307021.db2.gz CTZIJWDGPSNBRU-UHFFFAOYSA-N 1 0 310.341 2.107 10 0 DEAERO C[C@H](N(C)S(=O)(=O)c1cccc2c1CC[NH2+]C2)C(C)(C)C ZINC000042781274 183308222 /nfs/dbraw/zinc/30/82/22/183308222.db2.gz UFODMXJJSUARDU-LBPRGKRZSA-N 1 0 310.463 2.387 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(CC(F)(F)F)C(C)C)cc1 ZINC000042782497 183309216 /nfs/dbraw/zinc/30/92/16/183309216.db2.gz GJXVFHREPQNHME-UHFFFAOYSA-N 1 0 324.368 2.367 10 0 DEAERO Cn1cc([C@H](C[NH3+])Oc2ccc(F)cc2Br)cn1 ZINC000043233231 183345855 /nfs/dbraw/zinc/34/58/55/183345855.db2.gz OMLSKQARHUCAET-LBPRGKRZSA-N 1 0 314.158 2.401 10 0 DEAERO COc1ccc2[nH]c(S[C@@H](C[NH3+])c3cnn(C)c3)nc2c1 ZINC000043237465 183345946 /nfs/dbraw/zinc/34/59/46/183345946.db2.gz SIRDMGVBCUSDND-ZDUSSCGKSA-N 1 0 303.391 2.097 10 0 DEAERO COCCCN(CCOC)[C@H](c1ccc(C)s1)[C@@H](C)[NH3+] ZINC000043242698 183346499 /nfs/dbraw/zinc/34/64/99/183346499.db2.gz ILLOVFKKIJWOPL-HIFRSBDPSA-N 1 0 300.468 2.430 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1sccc1C)N(C)CC(=O)N1CCCC1 ZINC000043248501 183347244 /nfs/dbraw/zinc/34/72/44/183347244.db2.gz HWPLOMQDTDAMGR-UKRRQHHQSA-N 1 0 309.479 2.389 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)CC(=O)N1CCCC1 ZINC000043253443 183347619 /nfs/dbraw/zinc/34/76/19/183347619.db2.gz WCGXNWCUWRRZIW-QMTHXVAHSA-N 1 0 315.870 2.344 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCC[C@@H]1C(=O)NC ZINC000043253669 183347655 /nfs/dbraw/zinc/34/76/55/183347655.db2.gz UDTGBUHUTMPTKL-BREBYQMCSA-N 1 0 315.870 2.390 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N1CCOCC1 ZINC000043258523 183347752 /nfs/dbraw/zinc/34/77/52/183347752.db2.gz BJGPKJWDBUZDSZ-GZMMTYOYSA-N 1 0 305.241 2.231 10 0 DEAERO CCN(CCO)[C@@H](c1ccc(Br)s1)[C@@H](C)[NH3+] ZINC000043261166 183349081 /nfs/dbraw/zinc/34/90/81/183349081.db2.gz BHEIRMGMVVFMFW-LDYMZIIASA-N 1 0 307.257 2.213 10 0 DEAERO Cn1cnnc1S[C@H](C[NH3+])c1cc(Br)cs1 ZINC000043290525 183351618 /nfs/dbraw/zinc/35/16/18/183351618.db2.gz PJXOVPQBYWGZHF-MRVPVSSYSA-N 1 0 319.253 2.431 10 0 DEAERO C[NH2+][C@H](c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000043300415 183352146 /nfs/dbraw/zinc/35/21/46/183352146.db2.gz HQXKFGXZUQWNFW-CABZTGNLSA-N 1 0 307.337 2.401 10 0 DEAERO CC[NH2+][C@H](c1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000043300992 183352597 /nfs/dbraw/zinc/35/25/97/183352597.db2.gz FXBAYXMNLLMVBH-GWCFXTLKSA-N 1 0 319.373 2.373 10 0 DEAERO COCCN(CCOC)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390387 183358110 /nfs/dbraw/zinc/35/81/10/183358110.db2.gz DYBQGKNKJZUDQM-AWEZNQCLSA-N 1 0 304.793 2.074 10 0 DEAERO CS(=O)(=O)CC1(C[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000494617136 249529119 /nfs/dbraw/zinc/52/91/19/249529119.db2.gz FPJQJAVOKPLZGD-UHFFFAOYSA-N 1 0 323.458 2.149 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N(CC)CC(F)(F)F)OCCO2 ZINC000043980320 183391035 /nfs/dbraw/zinc/39/10/35/183391035.db2.gz GVTNGWDIXIEIBW-NWDGAFQWSA-N 1 0 310.360 2.144 10 0 DEAERO CN1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CC1=O ZINC000044336936 183405960 /nfs/dbraw/zinc/40/59/60/183405960.db2.gz WOMMAAWLINMPDJ-HNNXBMFYSA-N 1 0 315.417 2.089 10 0 DEAERO O=S(=O)(c1ccc(NC[C@H]2CCC[NH2+]C2)cc1)C(F)F ZINC000044503310 183415838 /nfs/dbraw/zinc/41/58/38/183415838.db2.gz PYFOTCSAORJPCI-JTQLQIEISA-N 1 0 304.362 2.094 10 0 DEAERO [NH3+]CC1(C(=O)Nc2ccccc2C(F)(F)F)CCOCC1 ZINC000044762091 183437391 /nfs/dbraw/zinc/43/73/91/183437391.db2.gz WLXAIDIUXQLGDP-UHFFFAOYSA-N 1 0 302.296 2.399 10 0 DEAERO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175852764 296277153 /nfs/dbraw/zinc/27/71/53/296277153.db2.gz QWJSAEXKLRAQSH-KFWWJZLASA-N 1 0 311.470 2.173 10 0 DEAERO c1cn([C@@H]2COC[C@@H]2[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)nn1 ZINC000284780492 218174530 /nfs/dbraw/zinc/17/45/30/218174530.db2.gz KLZIRMWHTCFCAB-XLAORIBOSA-N 1 0 312.417 2.219 10 0 DEAERO CC[C@H]1CN(CCCOc2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000105825919 194138186 /nfs/dbraw/zinc/13/81/86/194138186.db2.gz HBDTVUCCYVGAOI-WBVHZDCISA-N 1 0 324.440 2.372 10 0 DEAERO O[C@@H](C[NH+]1CCC(Nc2cccnn2)CC1)c1ccc(F)cc1 ZINC000105805287 194133490 /nfs/dbraw/zinc/13/34/90/194133490.db2.gz MZGVJVOSRZUFMR-INIZCTEOSA-N 1 0 316.380 2.226 10 0 DEAERO Cc1nn(C)c(C)c1C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876789 194154560 /nfs/dbraw/zinc/15/45/60/194154560.db2.gz PLCVEAKEAJJLFL-UHFFFAOYSA-N 1 0 301.438 2.225 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000105897082 194163180 /nfs/dbraw/zinc/16/31/80/194163180.db2.gz AKCFMJQDFGFBOE-INIZCTEOSA-N 1 0 312.417 2.382 10 0 DEAERO CC(C)Oc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000106379546 194203361 /nfs/dbraw/zinc/20/33/61/194203361.db2.gz VAIXBPKKPURDKI-GOSISDBHSA-N 1 0 304.434 2.427 10 0 DEAERO CN(CC1CCCCC1)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000049013949 183701599 /nfs/dbraw/zinc/70/15/99/183701599.db2.gz PKFFYGJXBYFVNT-UHFFFAOYSA-N 1 0 310.463 2.487 10 0 DEAERO Cc1cc([C@@H](C)NS(=O)(=O)C[C@H]2CCCC[NH2+]2)c(C)s1 ZINC000049631472 183749352 /nfs/dbraw/zinc/74/93/52/183749352.db2.gz HTHKZCNATDCVDP-DGCLKSJQSA-N 1 0 316.492 2.487 10 0 DEAERO CN(C1(C[NH3+])CCCCC1)S(=O)(=O)c1cccc(F)c1 ZINC000050092689 183771958 /nfs/dbraw/zinc/77/19/58/183771958.db2.gz QWSFRWNYUIQESK-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000050163843 183776149 /nfs/dbraw/zinc/77/61/49/183776149.db2.gz NBOBQUGXOZRJKL-QWRGUYRKSA-N 1 0 318.389 2.483 10 0 DEAERO CC[NH+]1CCC(N(C)Cc2nc3sccc3c(N)n2)CC1 ZINC000050816457 183805223 /nfs/dbraw/zinc/80/52/23/183805223.db2.gz VIRTWSZKKSRIAS-UHFFFAOYSA-N 1 0 305.451 2.190 10 0 DEAERO Cn1cnnc1CC[NH2+]Cc1ccc(F)cc1Br ZINC000109423488 194262290 /nfs/dbraw/zinc/26/22/90/194262290.db2.gz KTOYVRSBMMRHTI-UHFFFAOYSA-N 1 0 313.174 2.049 10 0 DEAERO C[C@H](C[NH3+])N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000109459337 194265780 /nfs/dbraw/zinc/26/57/80/194265780.db2.gz STXHKJYMDLDCAA-GFCCVEGCSA-N 1 0 301.356 2.170 10 0 DEAERO COCC[NH2+]C[C@H]1CCCN1c1ncccc1C(F)(F)F ZINC000053697603 183910203 /nfs/dbraw/zinc/91/02/03/183910203.db2.gz VPZMCSGLRYYFSQ-LLVKDONJSA-N 1 0 303.328 2.305 10 0 DEAERO C[C@@H]([NH2+]C(C)(C)CO)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551037 194337887 /nfs/dbraw/zinc/33/78/87/194337887.db2.gz SKVCLJQTYBJODT-OLZOCXBDSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H]([NH2+]C(C)(C)CO)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551034 194337996 /nfs/dbraw/zinc/33/79/96/194337996.db2.gz SKVCLJQTYBJODT-STQMWFEESA-N 1 0 300.443 2.383 10 0 DEAERO CC[C@@H]1CN(C2N=NC(=S)N2c2ccccc2)CC[N@@H+]1C ZINC000110732189 194355242 /nfs/dbraw/zinc/35/52/42/194355242.db2.gz JPPZMXRMSDXFMI-GFCCVEGCSA-N 1 0 303.435 2.086 10 0 DEAERO CC[C@H]1C[NH2+]CCN1c1ccccc1S(=O)(=O)C(F)(F)F ZINC000110678169 194349228 /nfs/dbraw/zinc/34/92/28/194349228.db2.gz SYKUNTCAZOENRT-JTQLQIEISA-N 1 0 322.352 2.168 10 0 DEAERO CCCC(CCC)(C(N)=S)C(=O)N1CC[N@H+](C)[C@@H](CC)C1 ZINC000110753254 194356401 /nfs/dbraw/zinc/35/64/01/194356401.db2.gz OMABSBVOMPYWAY-ZDUSSCGKSA-N 1 0 313.511 2.412 10 0 DEAERO COC(=O)CC[C@H]([NH3+])Cc1ccc(OC)c(OC)c1Cl ZINC000110829713 194361657 /nfs/dbraw/zinc/36/16/57/194361657.db2.gz KYMOGMSDLXPREP-JTQLQIEISA-N 1 0 301.770 2.180 10 0 DEAERO NC(=S)c1cc2c(nc1NCC[NH+]1CCCC1)CCCC2 ZINC000054134560 183925641 /nfs/dbraw/zinc/92/56/41/183925641.db2.gz MSMPQIDXBPRWQX-UHFFFAOYSA-N 1 0 304.463 2.102 10 0 DEAERO CC[N@@H+]1CCN(Cc2nc3sccc3c(NC)n2)C[C@@H]1C ZINC000110742573 194357189 /nfs/dbraw/zinc/35/71/89/194357189.db2.gz KKZPALBRURIHLG-NSHDSACASA-N 1 0 305.451 2.259 10 0 DEAERO CN(C(=O)c1ccc(Br)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000110927447 194370267 /nfs/dbraw/zinc/37/02/67/194370267.db2.gz ZACONMVOHRJFCB-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO CCN(CC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCC[NH2+]C1 ZINC000110942754 194372351 /nfs/dbraw/zinc/37/23/51/194372351.db2.gz UBXHINDAZLZOGJ-LBPRGKRZSA-N 1 0 313.804 2.492 10 0 DEAERO CCN[C@](C)(CCCC[N@H+](CC)CCOCC)C(=O)OC ZINC000111121821 194391941 /nfs/dbraw/zinc/39/19/41/194391941.db2.gz KOZRLIJIMLPNEV-MRXNPFEDSA-N 1 0 302.459 2.056 10 0 DEAERO C[N@H+](CCC(=O)N1CCc2sccc2C1)C[C@@H]1CCCO1 ZINC000056494949 184013599 /nfs/dbraw/zinc/01/35/99/184013599.db2.gz VRNGEPRXSVTSQP-AWEZNQCLSA-N 1 0 308.447 2.134 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000058561792 184121856 /nfs/dbraw/zinc/12/18/56/184121856.db2.gz VVIYMOUFYQUVSW-AWEZNQCLSA-N 1 0 322.474 2.328 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000061265849 184167337 /nfs/dbraw/zinc/16/73/37/184167337.db2.gz SABROQICOLXAPR-SWLSCSKDSA-N 1 0 310.825 2.486 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000061270098 184167339 /nfs/dbraw/zinc/16/73/39/184167339.db2.gz GMQRMDFIUXEXSD-JTQLQIEISA-N 1 0 311.813 2.368 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000061292374 184167962 /nfs/dbraw/zinc/16/79/62/184167962.db2.gz UTQOTBSBLPGIAW-UHFFFAOYSA-N 1 0 307.785 2.247 10 0 DEAERO [NH3+]Cc1cccc(OCCSc2nnc3ccccn32)c1 ZINC000061407254 184170444 /nfs/dbraw/zinc/17/04/44/184170444.db2.gz HVZYDMJZTSXKNC-UHFFFAOYSA-N 1 0 300.387 2.359 10 0 DEAERO CC[NH2+][C@](C)(CCSc1nc2cc(C)ccc2[nH]1)C(N)=O ZINC000061441021 184170798 /nfs/dbraw/zinc/17/07/98/184170798.db2.gz AFABIHMAYSDYCF-OAHLLOKOSA-N 1 0 306.435 2.207 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1ccc(Cl)s1 ZINC000061592660 184175518 /nfs/dbraw/zinc/17/55/18/184175518.db2.gz IEXFIKDKECWERS-SVGQVSJJSA-N 1 0 304.828 2.004 10 0 DEAERO CCn1c(S[C@H](c2ccc(Cl)s2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594373 184176048 /nfs/dbraw/zinc/17/60/48/184176048.db2.gz RTDNOFMMDPAVGG-RCOVLWMOSA-N 1 0 318.855 2.487 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1ccccc1C ZINC000061594270 184176236 /nfs/dbraw/zinc/17/62/36/184176236.db2.gz TXSQEDKHFSKWGG-QWHCGFSZSA-N 1 0 306.435 2.470 10 0 DEAERO CCCNc1ccc(Cl)c(C[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000061630611 184179977 /nfs/dbraw/zinc/17/99/77/184179977.db2.gz OUNJZUBSLMJCQB-NSHDSACASA-N 1 0 310.829 2.254 10 0 DEAERO Cc1ccccc1[C@H]([NH3+])CN1CCN(CC(F)(F)F)CC1 ZINC000061941106 184197581 /nfs/dbraw/zinc/19/75/81/184197581.db2.gz XUZRADFCMNRDPQ-CQSZACIVSA-N 1 0 301.356 2.175 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cccs1)N1CCN(CC(F)(F)F)CC1 ZINC000061940831 184197612 /nfs/dbraw/zinc/19/76/12/184197612.db2.gz PXQFQVPOAMDEKF-CMPLNLGQSA-N 1 0 307.385 2.316 10 0 DEAERO [NH3+][C@@H]1CCCc2nc(N3CCN(CC(F)(F)F)CC3)sc21 ZINC000061948533 184197800 /nfs/dbraw/zinc/19/78/00/184197800.db2.gz SLFWDXSLBPKXKR-SECBINFHSA-N 1 0 320.384 2.164 10 0 DEAERO O=C1COc2cc(N[C@@H]3CC[N@@H+](C4CC4)C3)c(Cl)cc2N1 ZINC000061981378 184200000 /nfs/dbraw/zinc/20/00/00/184200000.db2.gz KUAPHEKHGATWNZ-SECBINFHSA-N 1 0 307.781 2.320 10 0 DEAERO CN(CC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000061996782 184200743 /nfs/dbraw/zinc/20/07/43/184200743.db2.gz YSSIXWFYQHRQLC-AWEZNQCLSA-N 1 0 302.340 2.423 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)CCCOC)cc1 ZINC000062037788 184203059 /nfs/dbraw/zinc/20/30/59/184203059.db2.gz RMAZSCHLLKWYFL-ZDUSSCGKSA-N 1 0 314.451 2.014 10 0 DEAERO COCCC[NH+]1[C@H](C)CN(C(=O)c2cccc(OC)c2)C[C@H]1C ZINC000062180900 184213622 /nfs/dbraw/zinc/21/36/22/184213622.db2.gz GDRZJVMLQHDMDT-HUUCEWRRSA-N 1 0 320.433 2.267 10 0 DEAERO CS(=O)(=O)c1cccc([C@@H]([NH3+])c2ccc3c(c2)COC3)c1 ZINC000062332381 184230842 /nfs/dbraw/zinc/23/08/42/184230842.db2.gz FBXGAVMNZYJGRI-MRXNPFEDSA-N 1 0 303.383 2.168 10 0 DEAERO CC[C@H](C)NC(=O)NC[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000062354875 184232048 /nfs/dbraw/zinc/23/20/48/184232048.db2.gz VDBYOAMOQIQKBC-DOTOQJQBSA-N 1 0 318.465 2.073 10 0 DEAERO CCC[NH2+][C@@H]1CCc2c1cccc2O[C@H]1CCS(=O)(=O)C1 ZINC000062799838 184253604 /nfs/dbraw/zinc/25/36/04/184253604.db2.gz XDBWKDNXEBHZJL-SWLSCSKDSA-N 1 0 309.431 2.239 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000062855453 184256634 /nfs/dbraw/zinc/25/66/34/184256634.db2.gz GFSGCOZULJXFIY-OAHLLOKOSA-N 1 0 309.797 2.028 10 0 DEAERO Nc1cc(Br)cnc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940756 184261366 /nfs/dbraw/zinc/26/13/66/184261366.db2.gz FGXKVJCANHUWRZ-LLVKDONJSA-N 1 0 311.227 2.101 10 0 DEAERO CC[NH2+]Cc1ccc(OCCC(=O)NC)c(Br)c1 ZINC000062701119 184247764 /nfs/dbraw/zinc/24/77/64/184247764.db2.gz BYXMWPFAYGOQJC-UHFFFAOYSA-N 1 0 315.211 2.074 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1F ZINC000063213655 184278902 /nfs/dbraw/zinc/27/89/02/184278902.db2.gz ABXIMJXUVKVXSM-WDEREUQCSA-N 1 0 320.817 2.417 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000063214085 184278937 /nfs/dbraw/zinc/27/89/37/184278937.db2.gz IFQKPKNTVCYKSV-NWDGAFQWSA-N 1 0 302.465 2.249 10 0 DEAERO CN(C)S(=O)(=O)c1ccc(N[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000063214774 184279040 /nfs/dbraw/zinc/27/90/40/184279040.db2.gz WIEKOVDVHFLKOT-GJZGRUSLSA-N 1 0 311.451 2.009 10 0 DEAERO C[NH+](C)[C@@H]1CCN(CCNc2cccc(Br)c2)C1 ZINC000062974063 184263408 /nfs/dbraw/zinc/26/34/08/184263408.db2.gz VKOABDLIQHXLHS-CQSZACIVSA-N 1 0 312.255 2.497 10 0 DEAERO Cc1sc2nc(CN3CC[C@@H]([NH+](C)C)C3)nc(N)c2c1C ZINC000062969288 184263771 /nfs/dbraw/zinc/26/37/71/184263771.db2.gz ZELVADUCBKLNNP-LLVKDONJSA-N 1 0 305.451 2.026 10 0 DEAERO CCC[NH2+][C@@H]1CCc2c1cccc2OCCCS(C)(=O)=O ZINC000063014510 184266579 /nfs/dbraw/zinc/26/65/79/184266579.db2.gz IHNJNTVGUJZTJF-OAHLLOKOSA-N 1 0 311.447 2.487 10 0 DEAERO C[NH2+][C@@H](C)c1cc(Cl)ccc1OCCCS(C)(=O)=O ZINC000063014449 184266582 /nfs/dbraw/zinc/26/65/82/184266582.db2.gz ARWMYWNVZYJPSB-JTQLQIEISA-N 1 0 305.827 2.434 10 0 DEAERO COc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH3+])cc1Br ZINC000063172227 184276323 /nfs/dbraw/zinc/27/63/23/184276323.db2.gz MURNPQOBZOATAJ-GHMZBOCLSA-N 1 0 313.195 2.067 10 0 DEAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ncccn2)cc1F ZINC000112518074 194481760 /nfs/dbraw/zinc/48/17/60/194481760.db2.gz VFEJMMQZFFLRIG-MNOVXSKESA-N 1 0 318.352 2.302 10 0 DEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000066068133 184386268 /nfs/dbraw/zinc/38/62/68/184386268.db2.gz KDIIIBMGQAVJRH-ZDUSSCGKSA-N 1 0 305.422 2.495 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000066150136 184392775 /nfs/dbraw/zinc/39/27/75/184392775.db2.gz DPVCKKAICXGDRY-UONOGXRCSA-N 1 0 320.437 2.043 10 0 DEAERO O=S(=O)(NCCC[NH+]1CCCC1)c1c(F)cccc1Cl ZINC000185410705 207365567 /nfs/dbraw/zinc/36/55/67/207365567.db2.gz XEQIJRGIZMCDRY-UHFFFAOYSA-N 1 0 320.817 2.243 10 0 DEAERO Cc1oc2ccccc2c1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000185420899 207365880 /nfs/dbraw/zinc/36/58/80/207365880.db2.gz BVWOTCPMZIBVJI-CYBMUJFWSA-N 1 0 315.417 2.107 10 0 DEAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186921254 207368949 /nfs/dbraw/zinc/36/89/49/207368949.db2.gz QEFHASHMAVQBBF-SJORKVTESA-N 1 0 307.409 2.499 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2NC(=O)C(C)(C)C)C1 ZINC000112897474 194532549 /nfs/dbraw/zinc/53/25/49/194532549.db2.gz BIJJHXYLBCCFPE-ZDUSSCGKSA-N 1 0 317.433 2.447 10 0 DEAERO CCn1ncc(Br)c1[C@H](C[C@H]1CCOC1)[NH2+]C ZINC000162046438 197538848 /nfs/dbraw/zinc/53/88/48/197538848.db2.gz XXLQZEYBTRNZRI-KOLCDFICSA-N 1 0 302.216 2.353 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC2(CCCC2)C1 ZINC000173175436 285032955 /nfs/dbraw/zinc/03/29/55/285032955.db2.gz CZYNNBWVYGYILQ-HNNXBMFYSA-N 1 0 309.454 2.073 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nnc(C(C)C)o1 ZINC000119627383 195005421 /nfs/dbraw/zinc/00/54/21/195005421.db2.gz DXIZXJLJRWTSFT-CQSZACIVSA-N 1 0 322.453 2.362 10 0 DEAERO CC(C)[N@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C1CCOCC1 ZINC000119638769 195007685 /nfs/dbraw/zinc/00/76/85/195007685.db2.gz BDEKUNXHRUNWDA-LBPRGKRZSA-N 1 0 308.344 2.039 10 0 DEAERO O=C(Nc1nccs1)[C@@H]1CCCN1CCC[NH+]1CCCC1 ZINC000119959817 195070926 /nfs/dbraw/zinc/07/09/26/195070926.db2.gz ZRTKXIXBDNYWQT-ZDUSSCGKSA-N 1 0 308.451 2.032 10 0 DEAERO CC(=O)c1cccc(O[C@H](C)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000539418038 285076796 /nfs/dbraw/zinc/07/67/96/285076796.db2.gz MGQYJGABZYKRTN-CQSZACIVSA-N 1 0 306.406 2.067 10 0 DEAERO CCC[NH2+]Cc1cccc(Cl)c1OCCS(C)(=O)=O ZINC000159153846 197331479 /nfs/dbraw/zinc/33/14/79/197331479.db2.gz BIZKLTUZNMMQIH-UHFFFAOYSA-N 1 0 305.827 2.263 10 0 DEAERO CC[NH2+]Cc1cccc(Cl)c1OCCS(=O)(=O)CC ZINC000159134014 197330798 /nfs/dbraw/zinc/33/07/98/197330798.db2.gz WTMWFMFBQJWWCZ-UHFFFAOYSA-N 1 0 305.827 2.263 10 0 DEAERO CNc1ncc(Br)c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000159241361 197339250 /nfs/dbraw/zinc/33/92/50/197339250.db2.gz GBOLHPNTJFQYEN-IUCAKERBSA-N 1 0 314.231 2.175 10 0 DEAERO Cc1cc(S(=O)(=O)N(CC2CC2)C2CC2)cc(C[NH3+])c1F ZINC000159121348 197328921 /nfs/dbraw/zinc/32/89/21/197328921.db2.gz AKQQZIIAYWAEDT-UHFFFAOYSA-N 1 0 312.410 2.156 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)[C@H](C)C2CC2)cc(C[NH3+])c1F ZINC000159071317 197324326 /nfs/dbraw/zinc/32/43/26/197324326.db2.gz CUFPRBNDMWUHDG-SNVBAGLBSA-N 1 0 300.399 2.012 10 0 DEAERO CCCN(CC)S(=O)(=O)c1cc(C)c(F)c(C[NH2+]C)c1 ZINC000159062891 197323351 /nfs/dbraw/zinc/32/33/51/197323351.db2.gz IEGSOUCUOKLDKI-UHFFFAOYSA-N 1 0 302.415 2.274 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc(C[NH3+])c1F ZINC000159055508 197323081 /nfs/dbraw/zinc/32/30/81/197323081.db2.gz DPVOVKQQVMAVLZ-PHIMTYICSA-N 1 0 314.426 2.259 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C)cc(C)c1F ZINC000159050182 197321359 /nfs/dbraw/zinc/32/13/59/197321359.db2.gz GTMZTRSKUPSQGD-LBPRGKRZSA-N 1 0 314.426 2.417 10 0 DEAERO Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2)n1 ZINC000159039776 197322083 /nfs/dbraw/zinc/32/20/83/197322083.db2.gz NETCHGXEXYAJBV-QGZVFWFLSA-N 1 0 312.417 2.015 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)c1cc(F)ccc1C ZINC000159014128 197319287 /nfs/dbraw/zinc/31/92/87/197319287.db2.gz OJVDCXXCFCPRIN-TZMCWYRMSA-N 1 0 314.426 2.191 10 0 DEAERO CC[C@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)CC1CCCCC1 ZINC000158991679 197316701 /nfs/dbraw/zinc/31/67/01/197316701.db2.gz SCFQBSJKNHDJEF-LSDHHAIUSA-N 1 0 302.484 2.264 10 0 DEAERO C[NH2+]C[C@H]1CCCN(C(=O)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000158984790 197315654 /nfs/dbraw/zinc/31/56/54/197315654.db2.gz LSNDXLPVUDGXFV-CQSZACIVSA-N 1 0 314.433 2.262 10 0 DEAERO [NH3+]Cc1csc(S(=O)(=O)N2CCCOc3ccccc32)c1 ZINC000158857482 197306746 /nfs/dbraw/zinc/30/67/46/197306746.db2.gz RLTMDANMODAOKV-UHFFFAOYSA-N 1 0 324.427 2.185 10 0 DEAERO C[C@@H](C[NH3+])CC(=O)NCc1cc(Br)ccc1F ZINC000158786270 197300779 /nfs/dbraw/zinc/30/07/79/197300779.db2.gz IUFMWSPAFPLMLO-MRVPVSSYSA-N 1 0 303.175 2.189 10 0 DEAERO C[NH2+]Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c1C ZINC000158743968 197298254 /nfs/dbraw/zinc/29/82/54/197298254.db2.gz AZYJKDAFEGGGAN-GJZGRUSLSA-N 1 0 308.447 2.135 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)c1ccc(F)cc1)[C@H]1CCOC1 ZINC000158729472 197297179 /nfs/dbraw/zinc/29/71/79/197297179.db2.gz GHWDWXUVYDESIX-SWLSCSKDSA-N 1 0 315.410 2.004 10 0 DEAERO CN(CC[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21)C(=O)OC(C)(C)C ZINC000158730592 197297022 /nfs/dbraw/zinc/29/70/22/197297022.db2.gz LSSLDFBTJMEYGI-CYBMUJFWSA-N 1 0 321.421 2.209 10 0 DEAERO CN(C(=O)c1ncsc1Br)C1CC[NH+](C)CC1 ZINC000288664244 220330632 /nfs/dbraw/zinc/33/06/32/220330632.db2.gz PEEZMDAQTKBRDW-UHFFFAOYSA-N 1 0 318.240 2.072 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)c1ccccc1Cl)[C@H]1CCOC1 ZINC000158719190 197296400 /nfs/dbraw/zinc/29/64/00/197296400.db2.gz RGULCPGHJQQHPM-WCQYABFASA-N 1 0 317.838 2.128 10 0 DEAERO [NH3+]C[C@@H](c1ccccc1Br)[C@@H](O)c1ncccn1 ZINC000158517738 197281007 /nfs/dbraw/zinc/28/10/07/197281007.db2.gz BHILSIIIXYBRPT-CMPLNLGQSA-N 1 0 308.179 2.015 10 0 DEAERO C[C@@H]1C[C@@H](Nc2nc3ccc(Br)cn3n2)CC[N@@H+]1C ZINC000158443938 197273349 /nfs/dbraw/zinc/27/33/49/197273349.db2.gz YEEBLHYKBGULJI-KOLCDFICSA-N 1 0 324.226 2.386 10 0 DEAERO [NH3+]C[C@H](c1ccc(Br)cc1)[C@@H](O)c1ncccn1 ZINC000158506200 197279452 /nfs/dbraw/zinc/27/94/52/197279452.db2.gz CRWYGKNGIPTXNV-VXGBXAGGSA-N 1 0 308.179 2.015 10 0 DEAERO CC[C@H]1CN(S(=O)(=O)c2cc(C[NH3+])sc2C)CCS1 ZINC000158427376 197272383 /nfs/dbraw/zinc/27/23/83/197272383.db2.gz VXOCLSHVSPNBHU-JTQLQIEISA-N 1 0 320.505 2.031 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)c2cc(C[NH3+])sc2C)CCS1 ZINC000158427229 197272010 /nfs/dbraw/zinc/27/20/10/197272010.db2.gz VXOCLSHVSPNBHU-SNVBAGLBSA-N 1 0 320.505 2.031 10 0 DEAERO CCCCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000158176878 197250020 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CS(=O)(=O)c1ccc(N[C@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000157305282 197178149 /nfs/dbraw/zinc/17/81/49/197178149.db2.gz MMLBPOQZNMNTJK-KBPBESRZSA-N 1 0 303.387 2.042 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)c1nnc(Cl)s1)c1ccccc1 ZINC000157246190 197173731 /nfs/dbraw/zinc/17/37/31/197173731.db2.gz UXMOYQLDVFIZJY-SNVBAGLBSA-N 1 0 310.810 2.224 10 0 DEAERO CSCC[C@@H](C)N(C)c1nc(NN)[nH+]cc1Br ZINC000157242520 197172286 /nfs/dbraw/zinc/17/22/86/197172286.db2.gz NCVKKMMSMWSBQF-SSDOTTSWSA-N 1 0 320.260 2.103 10 0 DEAERO CNC(=O)CCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000541744297 285183737 /nfs/dbraw/zinc/18/37/37/285183737.db2.gz LMFZBFUSCCRWPM-MRXNPFEDSA-N 1 0 320.824 2.279 10 0 DEAERO C[C@@](O)(Cc1ccc(Br)s1)C[C@H]1COCC[NH2+]1 ZINC000156804781 197142248 /nfs/dbraw/zinc/14/22/48/197142248.db2.gz NSPDCQQVNNTSJZ-CABZTGNLSA-N 1 0 320.252 2.183 10 0 DEAERO C[C@](O)(C[C@H]1COCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000156842348 197144417 /nfs/dbraw/zinc/14/44/17/197144417.db2.gz OJGJWIFXCXCXMK-GWCFXTLKSA-N 1 0 305.296 2.171 10 0 DEAERO COCCN[C@]1(c2nc(C)c(C)s2)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156691335 197134290 /nfs/dbraw/zinc/13/42/90/197134290.db2.gz AMRMVMICDVXRDM-GDBMZVCRSA-N 1 0 309.479 2.449 10 0 DEAERO C[C@@](O)(Cc1cccc(C(F)(F)F)c1)C[C@@H]1COCC[NH2+]1 ZINC000156777852 197140347 /nfs/dbraw/zinc/14/03/47/197140347.db2.gz XODUCFHAOXANQH-ZIAGYGMSSA-N 1 0 303.324 2.377 10 0 DEAERO COc1cc(OC)cc([C@H]2CC[N@@H+]([C@@H]3CCCCNC3=O)C2)c1 ZINC000120337398 195146448 /nfs/dbraw/zinc/14/64/48/195146448.db2.gz KVCNQYKWADZXCY-SUMWQHHRSA-N 1 0 318.417 2.162 10 0 DEAERO O[C@H](C[NH+]1CCC(n2cncn2)CC1)c1ccccc1Cl ZINC000156555495 197122510 /nfs/dbraw/zinc/12/25/10/197122510.db2.gz AFTNDFVQOMTIOG-OAHLLOKOSA-N 1 0 306.797 2.302 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000156546706 197121448 /nfs/dbraw/zinc/12/14/48/197121448.db2.gz GOXZZHPNNQWNIX-XCBNKYQSSA-N 1 0 309.719 2.306 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000156147909 197089972 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COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCN3CCCC3=O)C2)cc1 ZINC000155257769 197038110 /nfs/dbraw/zinc/03/81/10/197038110.db2.gz OZVKEUYTJIVQOW-GDBMZVCRSA-N 1 0 302.418 2.495 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1coc(-c2cccs2)n1 ZINC000155165858 197027717 /nfs/dbraw/zinc/02/77/17/197027717.db2.gz UJRLDNZMMMDYPC-VXGBXAGGSA-N 1 0 319.430 2.497 10 0 DEAERO CC(C)[C@H](C)NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000120417193 195161769 /nfs/dbraw/zinc/16/17/69/195161769.db2.gz GNJUEYGFUOTCHN-AWEZNQCLSA-N 1 0 307.438 2.471 10 0 DEAERO Cc1cc(F)ccc1[C@H]1C(=O)NCCN1CCC[NH+]1CCCC1 ZINC000184728229 291926049 /nfs/dbraw/zinc/92/60/49/291926049.db2.gz BBHVFFBEJIJPPH-KRWDZBQOSA-N 1 0 319.424 2.093 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000120534528 195185455 /nfs/dbraw/zinc/18/54/55/195185455.db2.gz ZMOAZKBNUSMWSC-HUUCEWRRSA-N 1 0 317.433 2.183 10 0 DEAERO COc1ccc([C@H]2CCCN2C(=O)[C@@]2(F)CC[NH2+]C2)c(OC)c1 ZINC000408513563 533203851 /nfs/dbraw/zinc/20/38/51/533203851.db2.gz QDDFDIWNRVQSPV-RHSMWYFYSA-N 1 0 322.380 2.069 10 0 DEAERO COc1ccc(Cl)cc1CC(=O)N1CCC([NH+](C)C)CC1 ZINC000120669137 195212259 /nfs/dbraw/zinc/21/22/59/195212259.db2.gz ATPGAXPDPQFORZ-UHFFFAOYSA-N 1 0 310.825 2.444 10 0 DEAERO CC(C)Cc1ncc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)s1 ZINC000120673937 195213284 /nfs/dbraw/zinc/21/32/84/195213284.db2.gz AQYLYQLLULVYNM-ZIAGYGMSSA-N 1 0 311.495 2.229 10 0 DEAERO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000120701218 195219599 /nfs/dbraw/zinc/21/95/99/195219599.db2.gz HTPIVFWXBATWPE-TZMCWYRMSA-N 1 0 321.396 2.014 10 0 DEAERO COCC[N@@H+]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1C ZINC000120798059 195239601 /nfs/dbraw/zinc/23/96/01/195239601.db2.gz OUSWMXJITNXQHK-OAHLLOKOSA-N 1 0 314.433 2.229 10 0 DEAERO COc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(C)n1 ZINC000120879823 195254992 /nfs/dbraw/zinc/25/49/92/195254992.db2.gz JWPPVWCHWZVGIS-AAEUAGOBSA-N 1 0 304.394 2.099 10 0 DEAERO C[NH+](C)CCOc1cccc(NC(=O)NC(C)(C)C(C)(C)O)c1 ZINC000543564813 285293552 /nfs/dbraw/zinc/29/35/52/285293552.db2.gz OMBXMFKFJNIIQZ-UHFFFAOYSA-N 1 0 323.437 2.298 10 0 DEAERO CC(C)NC(=O)[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000253377840 257106498 /nfs/dbraw/zinc/10/64/98/257106498.db2.gz YJEXJJGINWZITH-KKUMJFAQSA-N 1 0 308.447 2.395 10 0 DEAERO Cc1noc(C)c1C[N@@H+]1CC[C@@H]2C[C@@H](c3ccncn3)O[C@H]2C1 ZINC000251993278 257107583 /nfs/dbraw/zinc/10/75/83/257107583.db2.gz JTORMWGCLYNYOB-COXVUDFISA-N 1 0 314.389 2.434 10 0 DEAERO Cc1nnc([C@@H]2CC[C@H]3[C@H](CC[N@@H+]3Cc3c(C)noc3C)O2)o1 ZINC000248044415 257110204 /nfs/dbraw/zinc/11/02/04/257110204.db2.gz UVVRMKAMXMGBCQ-KKUMJFAQSA-N 1 0 318.377 2.477 10 0 DEAERO O=C(Cc1cccc(F)c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC000247861690 257115795 /nfs/dbraw/zinc/11/57/95/257115795.db2.gz MZXXCMHJFSPCAI-SJORKVTESA-N 1 0 302.393 2.453 10 0 DEAERO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CC[N@@H+]3Cc2ccncc2)n1 ZINC000247862335 257116309 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/nfs/dbraw/zinc/22/33/72/145223372.db2.gz NWVVLLZRDACGNI-GOSISDBHSA-N 1 0 324.428 2.283 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[C@H](C)C[C@@H]3C[NH3+])nc21 ZINC000261767067 145224557 /nfs/dbraw/zinc/22/45/57/145224557.db2.gz KCBDAFBZYSQNCX-GXTWGEPZSA-N 1 0 314.433 2.390 10 0 DEAERO CC1(C)CN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000261775458 145224793 /nfs/dbraw/zinc/22/47/93/145224793.db2.gz SOBAXCMVPPIIQT-HZPDHXFCSA-N 1 0 319.424 2.205 10 0 DEAERO Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261798234 145227176 /nfs/dbraw/zinc/22/71/76/145227176.db2.gz LPBFVBQBFXPPMW-CMPLNLGQSA-N 1 0 316.430 2.323 10 0 DEAERO c1cn(-c2ccc(CN3CC[NH2+]C[C@@H]3c3cccnc3)cc2)cn1 ZINC000261802066 145228335 /nfs/dbraw/zinc/22/83/35/145228335.db2.gz QYQSMTWTAMKBQF-LJQANCHMSA-N 1 0 319.412 2.414 10 0 DEAERO CCCN(CCC)C(=O)CCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261805905 145228510 /nfs/dbraw/zinc/22/85/10/145228510.db2.gz NAFBAWXWHWHZHC-LSDHHAIUSA-N 1 0 311.470 2.001 10 0 DEAERO C[NH2+][C@H](C)Cc1noc([C@@H]2CCCN2C(=O)C2CCCC2)n1 ZINC000261816136 145230104 /nfs/dbraw/zinc/23/01/04/145230104.db2.gz QFHVCHSQXJPRMD-YPMHNXCESA-N 1 0 306.410 2.074 10 0 DEAERO Cc1cccc(NC(=O)CN(CC[NH3+])CCc2ccccc2)c1 ZINC000261819927 145230247 /nfs/dbraw/zinc/23/02/47/145230247.db2.gz UJHJTUSMYPPEGU-UHFFFAOYSA-N 1 0 311.429 2.437 10 0 DEAERO CC1CCC(N(C)C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000261822091 145230370 /nfs/dbraw/zinc/23/03/70/145230370.db2.gz AWBHNYVMOMYFPY-HXGYVLDSSA-N 1 0 307.482 2.238 10 0 DEAERO CC1(C)CN(CC(=O)N(Cc2ccccc2)C2CC2)CC[C@H]1[NH3+] ZINC000261845409 145233186 /nfs/dbraw/zinc/23/31/86/145233186.db2.gz QYHNOKCLBLKFSP-QGZVFWFLSA-N 1 0 315.461 2.237 10 0 DEAERO C[NH2+][C@@H](C)CNC(=O)c1csc(CCc2ccccc2)n1 ZINC000261855396 145234032 /nfs/dbraw/zinc/23/40/32/145234032.db2.gz XTZYJQIGXFEKRQ-LBPRGKRZSA-N 1 0 303.431 2.266 10 0 DEAERO CCc1ccc(C(=O)N2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261874033 145236023 /nfs/dbraw/zinc/23/60/23/145236023.db2.gz PKMDIDVQFYDBJU-IBGZPJMESA-N 1 0 315.461 2.006 10 0 DEAERO Cc1ccccc1C[C@H](C)NC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261875542 145236234 /nfs/dbraw/zinc/23/62/34/145236234.db2.gz UBTUEXJYGQYXTF-DOTOQJQBSA-N 1 0 317.477 2.101 10 0 DEAERO C[C@@H]1CCN(C(=O)Cc2cccc(OC(F)F)c2)[C@H](C[NH3+])C1 ZINC000261896294 145238902 /nfs/dbraw/zinc/23/89/02/145238902.db2.gz VSWHLUKHEPMTNR-YPMHNXCESA-N 1 0 312.360 2.416 10 0 DEAERO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cc2ccccc2oc1=O ZINC000261901170 145239433 /nfs/dbraw/zinc/23/94/33/145239433.db2.gz OVSWYTKRBXPIGK-HNNXBMFYSA-N 1 0 314.385 2.301 10 0 DEAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccc(Br)s1 ZINC000261907779 145239922 /nfs/dbraw/zinc/23/99/22/145239922.db2.gz XPQWKJWNXCJWSI-IUCAKERBSA-N 1 0 317.252 2.249 10 0 DEAERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc2c1NCC2 ZINC000261928387 145243186 /nfs/dbraw/zinc/24/31/86/145243186.db2.gz LFPSXPZQGRSACG-HZPDHXFCSA-N 1 0 318.417 2.197 10 0 DEAERO COc1cc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc(OC)c1OC ZINC000261942443 145245101 /nfs/dbraw/zinc/24/51/01/145245101.db2.gz UYGFOXYYQCILSL-HNNXBMFYSA-N 1 0 322.405 2.429 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)COc1ccc(F)cc1F ZINC000261945955 145245460 /nfs/dbraw/zinc/24/54/60/145245460.db2.gz YDWUXJPKMYQPEE-RPBQFNSTSA-N 1 0 324.371 2.366 10 0 DEAERO C[C@@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)N1CCc2ccccc2C1 ZINC000261950572 145246225 /nfs/dbraw/zinc/24/62/25/145246225.db2.gz KBBGABZAELYDTP-WMLDXEAASA-N 1 0 315.461 2.019 10 0 DEAERO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261954420 145246529 /nfs/dbraw/zinc/24/65/29/145246529.db2.gz OTSPTZWKIRGNQG-KSZLIROESA-N 1 0 304.434 2.332 10 0 DEAERO CCN(C[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1)CC(F)(F)F ZINC000261960260 145246934 /nfs/dbraw/zinc/24/69/34/145246934.db2.gz HFFQQPNZQBWVQC-ZIAGYGMSSA-N 1 0 307.404 2.192 10 0 DEAERO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)CCc2cccs2)cc1 ZINC000261970422 145248381 /nfs/dbraw/zinc/24/83/81/145248381.db2.gz BGXUADPYDPSLJY-GFCCVEGCSA-N 1 0 324.471 2.430 10 0 DEAERO Fc1cc(F)cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000262054008 145257632 /nfs/dbraw/zinc/25/76/32/145257632.db2.gz ZZBFAIRURDYGCT-ZACQAIPSSA-N 1 0 310.388 2.254 10 0 DEAERO C[C@@]1(C[NH3+])CCN(C(=O)Cc2ccc(Br)s2)C1 ZINC000262064590 145258438 /nfs/dbraw/zinc/25/84/38/145258438.db2.gz RXUGYJGUONWZGD-LBPRGKRZSA-N 1 0 317.252 2.250 10 0 DEAERO CSc1cccc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000262102950 145262029 /nfs/dbraw/zinc/26/20/29/145262029.db2.gz TUNQSYCZOFKZGS-VXGBXAGGSA-N 1 0 314.476 2.075 10 0 DEAERO Cc1cccc(NC(=O)[C@H](C)C2C[NH2+]C2)c1C(=O)N1CCCC1 ZINC000262192579 145268864 /nfs/dbraw/zinc/26/88/64/145268864.db2.gz MGQLBQWRYBUYOY-CYBMUJFWSA-N 1 0 315.417 2.025 10 0 DEAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N(CC2CC2)c2ccccc2)cn1 ZINC000262238592 145270638 /nfs/dbraw/zinc/27/06/38/145270638.db2.gz KSVZCXIDTANSNB-MSOLQXFVSA-N 1 0 324.428 2.166 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000262324272 145276494 /nfs/dbraw/zinc/27/64/94/145276494.db2.gz SMPFAHYJNRPERU-WBMJQRKESA-N 1 0 306.410 2.171 10 0 DEAERO CC(C)n1cc2cc(NC(=O)C3(C[NH3+])CCOCC3)ccc2n1 ZINC000262343436 145278174 /nfs/dbraw/zinc/27/81/74/145278174.db2.gz TXSCQQIXHURCCO-UHFFFAOYSA-N 1 0 316.405 2.311 10 0 DEAERO COCC1(C(=O)Nc2cccc([C@H](C)OC)c2)CC[NH2+]CC1 ZINC000262380080 145279970 /nfs/dbraw/zinc/27/99/70/145279970.db2.gz NOXFICFGHHGLIO-ZDUSSCGKSA-N 1 0 306.406 2.349 10 0 DEAERO COc1ccc(CNC2=[NH+]CCCN2)cc1OC1CCCC1 ZINC000262399612 145281569 /nfs/dbraw/zinc/28/15/69/145281569.db2.gz PIWXUGDVBMFHOR-UHFFFAOYSA-N 1 0 303.406 2.456 10 0 DEAERO CC1(C)CN(CC(=O)N2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000262413941 145282361 /nfs/dbraw/zinc/28/23/61/145282361.db2.gz DJJOOXKGQUVYDS-INIZCTEOSA-N 1 0 301.434 2.025 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262468191 145285556 /nfs/dbraw/zinc/28/55/56/145285556.db2.gz MTYFRAPIAHIHBR-YWSWHFDRSA-N 1 0 305.422 2.259 10 0 DEAERO C[C@H](C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1)C1C[NH2+]C1 ZINC000262479196 145286954 /nfs/dbraw/zinc/28/69/54/145286954.db2.gz ZGUULYOKUUGVQB-LBPRGKRZSA-N 1 0 324.384 2.128 10 0 DEAERO CC[NH2+][C@H](C)CNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000262482259 145286979 /nfs/dbraw/zinc/28/69/79/145286979.db2.gz RTQGAQNNWXKVEC-CQSZACIVSA-N 1 0 314.433 2.276 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1ccccc1Cl ZINC000262495938 145287898 /nfs/dbraw/zinc/28/78/98/145287898.db2.gz LJAUXGYBGFPTKF-QEORTHHSSA-N 1 0 322.836 2.489 10 0 DEAERO CCOCCOCc1cccc(NC(=O)[C@H](C)C2C[NH2+]C2)c1C ZINC000262555374 145292776 /nfs/dbraw/zinc/29/27/76/145292776.db2.gz PJABOQRQCPYEQA-CQSZACIVSA-N 1 0 320.433 2.342 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000262587015 145295426 /nfs/dbraw/zinc/29/54/26/145295426.db2.gz ZVLUSPSITUUGJE-IBTNMTNLSA-N 1 0 306.450 2.168 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccccc2Br)n1 ZINC000263112086 145326368 /nfs/dbraw/zinc/32/63/68/145326368.db2.gz AJEWSSHVWDPGGZ-NSHDSACASA-N 1 0 323.194 2.075 10 0 DEAERO O=C(CCC1CC[NH2+]CC1)NC[C@@H](O)c1ccc(Cl)s1 ZINC000263129475 145327256 /nfs/dbraw/zinc/32/72/56/145327256.db2.gz BNOAGWKDVHCJAJ-LLVKDONJSA-N 1 0 316.854 2.331 10 0 DEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H](O)c1ccc(Cl)s1 ZINC000263197890 145335398 /nfs/dbraw/zinc/33/53/98/145335398.db2.gz IRQYZCFNDDUTBT-BFVZDQMLSA-N 1 0 316.854 2.459 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@H]2c2ccc(F)cc2F)n1 ZINC000263210831 145336542 /nfs/dbraw/zinc/33/65/42/145336542.db2.gz KFYAPPXUZXXHQQ-SGMGOOAPSA-N 1 0 320.343 2.195 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(C2(c3ccc(Cl)cc3)CC2)n1 ZINC000263213560 145336971 /nfs/dbraw/zinc/33/69/71/145336971.db2.gz KNICWJUERIQWMM-CYBMUJFWSA-N 1 0 318.808 2.379 10 0 DEAERO Cn1cc([C@@H](NC(=O)CCC2CC[NH2+]CC2)C(C)(C)C)cn1 ZINC000263218783 145337273 /nfs/dbraw/zinc/33/72/73/145337273.db2.gz LLHDDUXLSJEEEP-MRXNPFEDSA-N 1 0 306.454 2.403 10 0 DEAERO C[C@H]1C[C@H](NCc2ncc(Br)s2)CC[N@@H+]1C ZINC000309762981 145350273 /nfs/dbraw/zinc/35/02/73/145350273.db2.gz JCDKLPGOYAWAGM-DTWKUNHWSA-N 1 0 304.257 2.478 10 0 DEAERO Cc1ccc(/C=C\CC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1 ZINC000356913101 147002066 /nfs/dbraw/zinc/00/20/66/147002066.db2.gz PBWGYVPLYLSZNJ-UIZHIOIMSA-N 1 0 316.445 2.312 10 0 DEAERO Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c1C ZINC000358385141 147123095 /nfs/dbraw/zinc/12/30/95/147123095.db2.gz LMSYULXYAAFOJW-UHFFFAOYSA-N 1 0 315.417 2.010 10 0 DEAERO C[C@@H](CC1CCCCC1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000358490805 147143669 /nfs/dbraw/zinc/14/36/69/147143669.db2.gz DJRMFDMGRJVYAE-INIZCTEOSA-N 1 0 309.498 2.299 10 0 DEAERO C[C@](O)(CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000358676483 147179363 /nfs/dbraw/zinc/17/93/63/147179363.db2.gz DHMDWMGSLVAFPE-RYRKJORJSA-N 1 0 323.481 2.244 10 0 DEAERO COC(=O)[C@H](NCc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000358823689 147212928 /nfs/dbraw/zinc/21/29/28/147212928.db2.gz WJRYOVFUSABZQL-QGZVFWFLSA-N 1 0 302.418 2.324 10 0 DEAERO COC(=O)[C@@H](NCC[C@@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000358848765 147218196 /nfs/dbraw/zinc/21/81/96/147218196.db2.gz KTZKDRQNJLMFLZ-PBHICJAKSA-N 1 0 304.434 2.438 10 0 DEAERO COc1ccc(C)cc1-n1nnnc1SC[C@H](C)[NH+](C)C ZINC000358863861 147220490 /nfs/dbraw/zinc/22/04/90/147220490.db2.gz SOXPWQCLVYBKOR-NSHDSACASA-N 1 0 307.423 2.022 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC2(C)C)[C@@H](C)C1 ZINC000360783988 147383908 /nfs/dbraw/zinc/38/39/08/147383908.db2.gz ZFTLTQAAOUMWHY-SOUVJXGZSA-N 1 0 311.470 2.221 10 0 DEAERO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000370306281 148004731 /nfs/dbraw/zinc/00/47/31/148004731.db2.gz UUWTYWHHSVCRTN-HUUCEWRRSA-N 1 0 318.465 2.314 10 0 DEAERO c1cn(-c2ccc(C[NH2+][C@H]3CCO[C@]4(CCOC4)C3)cc2)cn1 ZINC000371402022 148098757 /nfs/dbraw/zinc/09/87/57/148098757.db2.gz UGXZZDTXMUCFDO-FUHWJXTLSA-N 1 0 313.401 2.300 10 0 DEAERO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000371803441 148141816 /nfs/dbraw/zinc/14/18/16/148141816.db2.gz PLRKVSZTERKXKX-HNNXBMFYSA-N 1 0 304.438 2.422 10 0 DEAERO COCCn1cc(C[NH+]2CCC(c3nccc(C)n3)CC2)cn1 ZINC000371888175 148149362 /nfs/dbraw/zinc/14/93/62/148149362.db2.gz MXTZJHBUAHFYRA-UHFFFAOYSA-N 1 0 315.421 2.008 10 0 DEAERO CC(C)n1nccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374684621 148277553 /nfs/dbraw/zinc/27/75/53/148277553.db2.gz AQJWBHURFSNTGP-GDBMZVCRSA-N 1 0 307.438 2.121 10 0 DEAERO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375280782 148351538 /nfs/dbraw/zinc/35/15/38/148351538.db2.gz KHTBIBFNWMTGPT-GOSISDBHSA-N 1 0 320.408 2.287 10 0 DEAERO CC[N@H+](CC(=O)N1CCC(Nc2nc(C)cs2)CC1)C1CC1 ZINC000375370941 148364439 /nfs/dbraw/zinc/36/44/39/148364439.db2.gz SXMLFLSMBJQQIY-UHFFFAOYSA-N 1 0 322.478 2.339 10 0 DEAERO C/C(=C\C(C)(C)C)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000375379949 148365177 /nfs/dbraw/zinc/36/51/77/148365177.db2.gz OGMIAHFAQPUJNZ-LFUXOTAPSA-N 1 0 321.509 2.463 10 0 DEAERO CC(C)(C)n1cc(CN2CC[C@H](c3nc(C4CC4)no3)C2)nn1 ZINC000375415981 148369064 /nfs/dbraw/zinc/36/90/64/148369064.db2.gz QQKUDVMNVGEEBO-LBPRGKRZSA-N 1 0 316.409 2.283 10 0 DEAERO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000375964814 148437666 /nfs/dbraw/zinc/43/76/66/148437666.db2.gz VSUAJGXFOAFODA-OAHLLOKOSA-N 1 0 320.458 2.152 10 0 DEAERO O[C@H](COC1CCOCC1)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000127158744 401722607 /nfs/dbraw/zinc/72/26/07/401722607.db2.gz IWDOWXPVRWGWHL-SFHVURJKSA-N 1 0 317.429 2.332 10 0 DEAERO CCC[C@H](CCO)CNC(=O)NCC1CC[NH+](CCC)CC1 ZINC000073953002 401725922 /nfs/dbraw/zinc/72/59/22/401725922.db2.gz CFFRVHLNDWQCDO-OAHLLOKOSA-N 1 0 313.486 2.206 10 0 DEAERO CC[C@@H](O)CC[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000127396402 401732725 /nfs/dbraw/zinc/73/27/25/401732725.db2.gz BVRVBTIKKUWLIT-SNVBAGLBSA-N 1 0 318.211 2.414 10 0 DEAERO O=C(c1ncoc1[C@H]1CCCO1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127547590 401739353 /nfs/dbraw/zinc/73/93/53/401739353.db2.gz OMKDODKLEJZVFA-UONOGXRCSA-N 1 0 319.405 2.084 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000127565827 401740612 /nfs/dbraw/zinc/74/06/12/401740612.db2.gz JHGJCWURZSQCDH-HYVNUMGLSA-N 1 0 303.450 2.230 10 0 DEAERO CCCCN(CCOC)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792132 401744175 /nfs/dbraw/zinc/74/41/75/401744175.db2.gz JFELABYIDFOYIT-MQVJKMGUSA-N 1 0 311.470 2.460 10 0 DEAERO CCCCN(C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000074767418 401744189 /nfs/dbraw/zinc/74/41/89/401744189.db2.gz NEJNZRRVCJMKPA-UHFFFAOYSA-N 1 0 324.513 2.378 10 0 DEAERO FC(F)(F)Oc1ccccc1C[NH2+]CCCn1ccnn1 ZINC000126441195 401694284 /nfs/dbraw/zinc/69/42/84/401694284.db2.gz KNCUCFQHQKALCV-UHFFFAOYSA-N 1 0 300.284 2.357 10 0 DEAERO CC1CC[NH+](CCCCNC(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000071935642 401698501 /nfs/dbraw/zinc/69/85/01/401698501.db2.gz LQVWJCCVEYHPFM-HZPDHXFCSA-N 1 0 311.470 2.317 10 0 DEAERO CC[N@H+](CCC(=O)NC(C)C)[C@H]1CCN(c2ccccc2)C1=O ZINC000111252803 401704218 /nfs/dbraw/zinc/70/42/18/401704218.db2.gz PPKQJWLVTFAJKQ-INIZCTEOSA-N 1 0 317.433 2.029 10 0 DEAERO CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000111266376 401705071 /nfs/dbraw/zinc/70/50/71/401705071.db2.gz IKKWNYWDLQZQHC-JSGCOSHPSA-N 1 0 314.389 2.256 10 0 DEAERO C[NH+](C)Cc1ccc([C@@]2(O)c3ccccc3C3=NCCN32)cc1 ZINC000013491057 401799885 /nfs/dbraw/zinc/79/98/85/401799885.db2.gz DGZRWRJCFZDZKJ-LJQANCHMSA-N 1 0 307.397 2.017 10 0 DEAERO CCOc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000129916109 401811534 /nfs/dbraw/zinc/81/15/34/401811534.db2.gz UNZGGVXONSDUQM-AWEZNQCLSA-N 1 0 323.412 2.318 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000076997173 401802067 /nfs/dbraw/zinc/80/20/67/401802067.db2.gz MXDHLVXLTDUXIW-JKSUJKDBSA-N 1 0 323.412 2.249 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@@H]1CCCO1 ZINC000077000733 401802457 /nfs/dbraw/zinc/80/24/57/401802457.db2.gz JCUGIJWWYLFYGQ-CVEARBPZSA-N 1 0 311.470 2.461 10 0 DEAERO Cc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1Br ZINC000127943623 401756723 /nfs/dbraw/zinc/75/67/23/401756723.db2.gz DSNOPKNJAQHHSX-UHFFFAOYSA-N 1 0 313.195 2.204 10 0 DEAERO CC(C)[C@H](c1ccccc1)N(C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000112749137 401757301 /nfs/dbraw/zinc/75/73/01/401757301.db2.gz OSGGOCOAVCVGEL-DLBZAZTESA-N 1 0 319.449 2.356 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2cc(Cl)cn2C)C1 ZINC000128077178 401761910 /nfs/dbraw/zinc/76/19/10/401761910.db2.gz NJNGOFISQQXRBH-ZDUSSCGKSA-N 1 0 312.845 2.304 10 0 DEAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000075714590 401766963 /nfs/dbraw/zinc/76/69/63/401766963.db2.gz GOPVWFKIUHRBNR-QWHCGFSZSA-N 1 0 316.380 2.097 10 0 DEAERO C[N@H+](Cc1ccccc1N1CCCC1)[C@@H]1CCCCNC1=O ZINC000009976412 401767426 /nfs/dbraw/zinc/76/74/26/401767426.db2.gz YOBXZLLOGLMUGF-QGZVFWFLSA-N 1 0 301.434 2.387 10 0 DEAERO CC[NH+](CC)CCNC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000113140070 401768054 /nfs/dbraw/zinc/76/80/54/401768054.db2.gz FYAQCNFYKKIURX-UHFFFAOYSA-N 1 0 319.380 2.481 10 0 DEAERO Cc1nn(C)cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000113142508 401768348 /nfs/dbraw/zinc/76/83/48/401768348.db2.gz JXVHBFFPCBPFOU-UHFFFAOYSA-N 1 0 312.417 2.254 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCc1ccncc1 ZINC000113231372 401771400 /nfs/dbraw/zinc/77/14/00/401771400.db2.gz RHLYGUPPSKGZHG-UKRRQHHQSA-N 1 0 305.447 2.010 10 0 DEAERO Cc1ccc(OCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)c1 ZINC000113231999 401771407 /nfs/dbraw/zinc/77/14/07/401771407.db2.gz JUYCSCGXXLMNFU-HOTGVXAUSA-N 1 0 302.418 2.377 10 0 DEAERO Cc1noc(Cl)c1CCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113228344 401772023 /nfs/dbraw/zinc/77/20/23/401772023.db2.gz FWGVTNSQBMEZKI-CMPLNLGQSA-N 1 0 311.813 2.264 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000113233416 401772319 /nfs/dbraw/zinc/77/23/19/401772319.db2.gz SAGRMXFEEAITBB-DZGCQCFKSA-N 1 0 310.401 2.385 10 0 DEAERO C[C@H]1C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000075977738 401775800 /nfs/dbraw/zinc/77/58/00/401775800.db2.gz OUGSVLQUKUSJBC-LRDDRELGSA-N 1 0 305.397 2.498 10 0 DEAERO CN(C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)C1CCCCC1 ZINC000128437188 401776596 /nfs/dbraw/zinc/77/65/96/401776596.db2.gz UGIFMCUSAGUZFN-CRAIPNDOSA-N 1 0 308.466 2.405 10 0 DEAERO COc1ccccc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113367360 401777544 /nfs/dbraw/zinc/77/75/44/401777544.db2.gz DICYWRHMAKCFAT-DZGCQCFKSA-N 1 0 303.406 2.073 10 0 DEAERO CC[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CCCO1 ZINC000128469547 401778570 /nfs/dbraw/zinc/77/85/70/401778570.db2.gz CIZIYADPYYWEEE-IRXDYDNUSA-N 1 0 323.481 2.461 10 0 DEAERO COc1cc(C)cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1O ZINC000113444819 401779392 /nfs/dbraw/zinc/77/93/92/401779392.db2.gz VGHOAKQKZHPINU-STQMWFEESA-N 1 0 304.390 2.018 10 0 DEAERO COc1ccccc1CNC(=O)C[N@H+](C(C)C)C1CCOCC1 ZINC000077322872 401810529 /nfs/dbraw/zinc/81/05/29/401810529.db2.gz IBSDNMNWXWLLSU-UHFFFAOYSA-N 1 0 320.433 2.201 10 0 DEAERO Cc1ccc(OCCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000113578319 401782683 /nfs/dbraw/zinc/78/26/83/401782683.db2.gz ISTBRZYEIXFSFH-HOTGVXAUSA-N 1 0 317.433 2.252 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccccc1F ZINC000113581494 401782739 /nfs/dbraw/zinc/78/27/39/401782739.db2.gz BGOVRFSWFDEQPL-UKRRQHHQSA-N 1 0 305.397 2.246 10 0 DEAERO CN(Cc1cccc(F)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000128706315 401788756 /nfs/dbraw/zinc/78/87/56/401788756.db2.gz JEEZYYISFFIVFT-UHFFFAOYSA-N 1 0 323.412 2.080 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)NCC[C@@H](C)O)c1ccccc1 ZINC000114819607 401811127 /nfs/dbraw/zinc/81/11/27/401811127.db2.gz BGBDUHKSNDYFOZ-ZBFHGGJFSA-N 1 0 307.438 2.140 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114198230 401794055 /nfs/dbraw/zinc/79/40/55/401794055.db2.gz BWTDFIWERKIESR-ARFHVFGLSA-N 1 0 303.450 2.136 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000076489088 401796710 /nfs/dbraw/zinc/79/67/10/401796710.db2.gz UCHBRPDMTAWGAQ-RHSMWYFYSA-N 1 0 304.434 2.426 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2cscn2)[C@H](C)C1 ZINC000130259373 401824769 /nfs/dbraw/zinc/82/47/69/401824769.db2.gz KWMMLIKOBOVTCI-OCCSQVGLSA-N 1 0 310.467 2.057 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000077715470 401827396 /nfs/dbraw/zinc/82/73/96/401827396.db2.gz KEESPWXQOBPACT-JTQLQIEISA-N 1 0 321.347 2.297 10 0 DEAERO CC[C@@H](CCO)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000077756555 401829437 /nfs/dbraw/zinc/82/94/37/401829437.db2.gz PRKGAVGDVTWXLV-KRWDZBQOSA-N 1 0 319.449 2.243 10 0 DEAERO CC(C)CC[C@@](C)(O)CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000077774382 401830052 /nfs/dbraw/zinc/83/00/52/401830052.db2.gz GQWYQJJDLGGUID-DOTOQJQBSA-N 1 0 313.486 2.205 10 0 DEAERO C[C@H](c1nc(C(C)(C)C)no1)N1CCC([N@H+](C)CCCO)CC1 ZINC000115546978 401830799 /nfs/dbraw/zinc/83/07/99/401830799.db2.gz BUBRDKSOVFUNCL-CYBMUJFWSA-N 1 0 324.469 2.207 10 0 DEAERO COCCCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115695581 401835457 /nfs/dbraw/zinc/83/54/57/401835457.db2.gz HWPDGOOFMKTUEB-UHFFFAOYSA-N 1 0 311.401 2.113 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)CCC1=O ZINC000077900438 401835978 /nfs/dbraw/zinc/83/59/78/401835978.db2.gz ZAUIORZHCYUNGC-VIFPVBQESA-N 1 0 304.362 2.446 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C(C)C)[C@H](C)C1 ZINC000115702693 401836168 /nfs/dbraw/zinc/83/61/68/401836168.db2.gz RFYPATAEQNQUGM-PMPSAXMXSA-N 1 0 313.486 2.467 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccn1C ZINC000116252421 401847196 /nfs/dbraw/zinc/84/71/96/401847196.db2.gz QVJKVRBGWXLHOU-ZBFHGGJFSA-N 1 0 312.417 2.061 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)N3CCc4ccccc43)C2)cn1 ZINC000116316033 401849494 /nfs/dbraw/zinc/84/94/94/401849494.db2.gz VLKNNDFBFZPMEV-MRXNPFEDSA-N 1 0 324.428 2.189 10 0 DEAERO CC1CCC(N(C)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000079391858 401872165 /nfs/dbraw/zinc/87/21/65/401872165.db2.gz PCARAYUOCOUEDX-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO Cc1c2ccccc2oc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116790225 401859093 /nfs/dbraw/zinc/85/90/93/401859093.db2.gz UGFAJPSSPKJTSV-ZDUSSCGKSA-N 1 0 302.374 2.144 10 0 DEAERO C[C@@H]1CCc2c(C(=O)N3CCO[C@H](C[NH+](C)C)C3)csc2C1 ZINC000116791780 401859124 /nfs/dbraw/zinc/85/91/24/401859124.db2.gz APGMEYVXJXDXMM-CHWSQXEVSA-N 1 0 322.474 2.276 10 0 DEAERO C[C@@H](CC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1cccc(F)c1 ZINC000116797049 401859944 /nfs/dbraw/zinc/85/99/44/401859944.db2.gz UVDRMOPECBOVLU-XJKSGUPXSA-N 1 0 308.397 2.108 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CCO1 ZINC000116797979 401859966 /nfs/dbraw/zinc/85/99/66/401859966.db2.gz AUBQIMAVGAKMMH-LLVKDONJSA-N 1 0 317.216 2.396 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000078767953 401865109 /nfs/dbraw/zinc/86/51/09/401865109.db2.gz IPKYWNQLHJDQLT-MRXNPFEDSA-N 1 0 312.417 2.395 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000132333395 401865717 /nfs/dbraw/zinc/86/57/17/401865717.db2.gz GRDDFHJPDRDJBG-SWLSCSKDSA-N 1 0 306.454 2.367 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)CSCc2cscn2)CC[N@@H+]1C ZINC000132538981 401869332 /nfs/dbraw/zinc/86/93/32/401869332.db2.gz RSRNEVPRSPYIAK-AAEUAGOBSA-N 1 0 313.492 2.317 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CC1CCOCC1 ZINC000117241379 401870287 /nfs/dbraw/zinc/87/02/87/401870287.db2.gz RDZMCOZVWRBKNQ-QGZVFWFLSA-N 1 0 304.434 2.092 10 0 DEAERO CC(C)CSCCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000129944232 401812843 /nfs/dbraw/zinc/81/28/43/401812843.db2.gz YUYPETIRYTUYLE-OAHLLOKOSA-N 1 0 311.495 2.421 10 0 DEAERO COc1cccc(CCC[N@@H+]2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000119140181 401928123 /nfs/dbraw/zinc/92/81/23/401928123.db2.gz HCWGASYMENBYFI-JKSUJKDBSA-N 1 0 306.450 2.015 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCO[C@@H](c2ccc(C)o2)C1)C1CC1 ZINC000119199664 401932279 /nfs/dbraw/zinc/93/22/79/401932279.db2.gz CJXQFIMOVYLVRT-MRXNPFEDSA-N 1 0 321.421 2.155 10 0 DEAERO CC[C@@H]1CN(C(=O)Cc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000117305376 401873958 /nfs/dbraw/zinc/87/39/58/401873958.db2.gz WGRPJLCLGWFRGL-QGZVFWFLSA-N 1 0 304.434 2.107 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000032068777 401875934 /nfs/dbraw/zinc/87/59/34/401875934.db2.gz BIPWKHMQAISFCE-VIFPVBQESA-N 1 0 310.872 2.410 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2ccccc2OC)CC[N@@H+]1CCOC ZINC000117399250 401876394 /nfs/dbraw/zinc/87/63/94/401876394.db2.gz HFMTWAOLGBCSPG-CQSZACIVSA-N 1 0 321.421 2.270 10 0 DEAERO C[C@H](Oc1cccnc1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000117803017 401885102 /nfs/dbraw/zinc/88/51/02/401885102.db2.gz SRESMEXXUIMXAB-HNNXBMFYSA-N 1 0 317.433 2.183 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000079999330 401886132 /nfs/dbraw/zinc/88/61/32/401886132.db2.gz AYVHUXBUDDASRM-INIZCTEOSA-N 1 0 319.449 2.468 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N1CC=C(c2cccs2)CC1 ZINC000117965418 401888390 /nfs/dbraw/zinc/88/83/90/401888390.db2.gz JUGNEIFOQZFIPF-UHFFFAOYSA-N 1 0 323.462 2.125 10 0 DEAERO CC(C)C[C@@H](C)S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000118426696 401898797 /nfs/dbraw/zinc/89/87/97/401898797.db2.gz UYKCNGDEKUFIBA-CQSZACIVSA-N 1 0 302.484 2.311 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)N(C)CC3CC3)cc2)CC1 ZINC000118776205 401907482 /nfs/dbraw/zinc/90/74/82/401907482.db2.gz PVVNOJJGQZLYCC-UHFFFAOYSA-N 1 0 301.434 2.311 10 0 DEAERO Ic1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038040802 401921148 /nfs/dbraw/zinc/92/11/48/401921148.db2.gz OQWQHLMCLWSVQP-UHFFFAOYSA-N 1 0 302.159 2.455 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(C3CC3)C3CC3)CC2)CCO1 ZINC000119445675 401950924 /nfs/dbraw/zinc/95/09/24/401950924.db2.gz SMQJRTRKGQYCHV-CYBMUJFWSA-N 1 0 306.450 2.134 10 0 DEAERO CCS(=O)(=O)N1CCC([NH2+]CC2CCC(C)CC2)CC1 ZINC000089575685 401952596 /nfs/dbraw/zinc/95/25/96/401952596.db2.gz NMHPWAFSYFVQMZ-UHFFFAOYSA-N 1 0 302.484 2.216 10 0 DEAERO CC(C)CCOCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000045094140 401954418 /nfs/dbraw/zinc/95/44/18/401954418.db2.gz VHZQEQIGYVTAAI-ZDUSSCGKSA-N 1 0 314.451 2.047 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc(Br)cc2)C[C@H]1[NH+](C)C ZINC000089710196 401958770 /nfs/dbraw/zinc/95/87/70/401958770.db2.gz PUFVLNCSZMNWKP-ZWNOBZJWSA-N 1 0 311.223 2.471 10 0 DEAERO CCN(CCO)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119593900 401960758 /nfs/dbraw/zinc/96/07/58/401960758.db2.gz WGECWGKQUZGXSK-SFHVURJKSA-N 1 0 319.449 2.065 10 0 DEAERO CCC[C@H](C(=O)NCc1ccnc(N2CCCCC2)c1)[NH+](C)C ZINC000136515490 401969064 /nfs/dbraw/zinc/96/90/64/401969064.db2.gz VNOWYOCVIRAYCZ-MRXNPFEDSA-N 1 0 318.465 2.418 10 0 DEAERO CCOC(=O)CC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000089881115 401969781 /nfs/dbraw/zinc/96/97/81/401969781.db2.gz BTIZDOSZKCBPRW-CYBMUJFWSA-N 1 0 306.406 2.210 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@]1(C)CCCO1 ZINC000119988833 401972929 /nfs/dbraw/zinc/97/29/29/401972929.db2.gz MRQYVPKMWAIRHY-FUHWJXTLSA-N 1 0 319.449 2.028 10 0 DEAERO COC[C@](C)(CCO)[NH2+]CCCC(=O)Nc1c(C)cccc1C ZINC000138008084 401986162 /nfs/dbraw/zinc/98/61/62/401986162.db2.gz ATUQCBCNOZTGLY-SFHVURJKSA-N 1 0 322.449 2.399 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NCCc2nccs2)CC1 ZINC000138654369 401987566 /nfs/dbraw/zinc/98/75/66/401987566.db2.gz ZHEBMZAKNMNHLC-UHFFFAOYSA-N 1 0 310.467 2.105 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)NCC2CC2)CC1 ZINC000043611023 401939080 /nfs/dbraw/zinc/93/90/80/401939080.db2.gz ISZIOVNBFQRONS-UHFFFAOYSA-N 1 0 302.422 2.360 10 0 DEAERO COC(=O)CCC[N@@H+]1C[C@@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000135464595 401940630 /nfs/dbraw/zinc/94/06/30/401940630.db2.gz FNTQTZPQYNQYAQ-CVEARBPZSA-N 1 0 319.401 2.218 10 0 DEAERO CCC(CC)C[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000093078220 402011447 /nfs/dbraw/zinc/01/14/47/402011447.db2.gz XCZLXSMNIHDYLI-OAHLLOKOSA-N 1 0 309.498 2.488 10 0 DEAERO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000093077592 402011454 /nfs/dbraw/zinc/01/14/54/402011454.db2.gz MHOPZASNJAVUJV-IRXDYDNUSA-N 1 0 319.493 2.408 10 0 DEAERO O[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)C[NH+]1CCCCC1 ZINC000151252572 402025631 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C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc2c1OCO2 ZINC000052524768 402043542 /nfs/dbraw/zinc/04/35/42/402043542.db2.gz NPFXBHHVLXREOG-CYBMUJFWSA-N 1 0 319.405 2.089 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2ccc3c(c2)OCO3)C1 ZINC000052594762 402044441 /nfs/dbraw/zinc/04/44/41/402044441.db2.gz HNAWCBPYJSQNCO-AWEZNQCLSA-N 1 0 319.405 2.041 10 0 DEAERO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000121626290 402047072 /nfs/dbraw/zinc/04/70/72/402047072.db2.gz IFEJKSIAGVFWEY-SJORKVTESA-N 1 0 308.466 2.166 10 0 DEAERO CCCCNC(=O)C1([NH2+]C[C@H](O)C(F)(F)F)CCCCC1 ZINC000121653129 402047643 /nfs/dbraw/zinc/04/76/43/402047643.db2.gz YNSXOOAPRUJTCA-NSHDSACASA-N 1 0 310.360 2.118 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000053086508 402050848 /nfs/dbraw/zinc/05/08/48/402050848.db2.gz JVXPCASSWMQSRJ-ZIAGYGMSSA-N 1 0 315.417 2.058 10 0 DEAERO O=C(CC[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccc(F)cc1 ZINC000122070113 402060883 /nfs/dbraw/zinc/06/08/83/402060883.db2.gz 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402083096 /nfs/dbraw/zinc/08/30/96/402083096.db2.gz NYSVRXGVYNXEAP-AWEZNQCLSA-N 1 0 316.357 2.423 10 0 DEAERO O=C1[C@H](N2CC[C@H](Oc3cccnc3)C2)CCN1c1ccccc1 ZINC000152289265 402086795 /nfs/dbraw/zinc/08/67/95/402086795.db2.gz UMBLDPWIPREMLK-ZWKOTPCHSA-N 1 0 323.396 2.340 10 0 DEAERO C[N@H+](CCC(=O)N1CCc2sccc2C1)C[C@H]1CCCO1 ZINC000056494951 402089537 /nfs/dbraw/zinc/08/95/37/402089537.db2.gz VRNGEPRXSVTSQP-CQSZACIVSA-N 1 0 308.447 2.134 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)CCCO2 ZINC000152355328 402091644 /nfs/dbraw/zinc/09/16/44/402091644.db2.gz FZWKORHESFIAIQ-SWLSCSKDSA-N 1 0 304.390 2.119 10 0 DEAERO C[NH+]1CCC(Oc2ccc(NC(=O)[C@]3(C)CCCO3)cn2)CC1 ZINC000152990349 402121068 /nfs/dbraw/zinc/12/10/68/402121068.db2.gz VDJWBRZSCUGHFB-KRWDZBQOSA-N 1 0 319.405 2.062 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCOc3ccccc32)CC[N@@H+]1C ZINC000122962601 402103322 /nfs/dbraw/zinc/10/33/22/402103322.db2.gz GRZSSJKJGHBQSE-IJEWVQPXSA-N 1 0 302.418 2.494 10 0 DEAERO 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CC(C)(C)c1noc(-c2cccnc2N2CCC[C@@H]([NH3+])C2)n1 ZINC000070457995 402261157 /nfs/dbraw/zinc/26/11/57/402261157.db2.gz SXOUMEPJLRAWMY-LLVKDONJSA-N 1 0 301.394 2.357 10 0 DEAERO CN1CCO[C@@H](CNC(=O)N(CC2CC2)C2CCCCC2)C1 ZINC000105283397 402207595 /nfs/dbraw/zinc/20/75/95/402207595.db2.gz XWTFUYBIZNTLAC-INIZCTEOSA-N 1 0 309.454 2.071 10 0 DEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCC(=O)OC(C)(C)C)C2)n1 ZINC000105919700 402211184 /nfs/dbraw/zinc/21/11/84/402211184.db2.gz LLKBKJWLPNEQSH-OAHLLOKOSA-N 1 0 322.453 2.339 10 0 DEAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2nncn2CC)CC1 ZINC000105929127 402211427 /nfs/dbraw/zinc/21/14/27/402211427.db2.gz XQDIIJRDQLJWCD-KGLIPLIRSA-N 1 0 321.469 2.171 10 0 DEAERO CCOc1cc(C)ccc1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000176605258 402322624 /nfs/dbraw/zinc/32/26/24/402322624.db2.gz HIYYSTJDHNEYIJ-INIZCTEOSA-N 1 0 317.433 2.383 10 0 DEAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cn3cc(Cl)ccc3n2)C1 ZINC000071278766 402271795 /nfs/dbraw/zinc/27/17/95/402271795.db2.gz CASHEYZMQODECQ-LBPRGKRZSA-N 1 0 320.824 2.448 10 0 DEAERO C[NH+]1CCC(Oc2ccc(NC(=O)c3cccnc3)cn2)CC1 ZINC000071564905 402275392 /nfs/dbraw/zinc/27/53/92/402275392.db2.gz ITOBHXNMDOEFIG-UHFFFAOYSA-N 1 0 312.373 2.202 10 0 DEAERO CCOc1cccnc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000176127498 402281704 /nfs/dbraw/zinc/28/17/04/402281704.db2.gz JCXLNNXHVMHYOK-UHFFFAOYSA-N 1 0 305.422 2.473 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(-c2cnn(C)c2C)no1 ZINC000184595456 402281789 /nfs/dbraw/zinc/28/17/89/402281789.db2.gz WWSVVPMOMQUTRP-AWEZNQCLSA-N 1 0 317.437 2.300 10 0 DEAERO COc1ccccc1[C@@H]1CN(C(C)C)C(=O)[C@@]12CCC[NH2+]C2 ZINC000216089371 402287172 /nfs/dbraw/zinc/28/71/72/402287172.db2.gz YRKXELOYZDQOQP-MAUKXSAKSA-N 1 0 302.418 2.399 10 0 DEAERO CC(C)(O)C[NH+]1CCN(C(=O)C/C=C/c2ccc(F)cc2)CC1 ZINC000176247096 402294274 /nfs/dbraw/zinc/29/42/74/402294274.db2.gz HXQKFTSADVFCIR-ONEGZZNKSA-N 1 0 320.408 2.144 10 0 DEAERO Fc1cc(C[NH2+][C@@H]2CCCSC2)cnc1N1CCOCC1 ZINC000184948829 402312134 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Cc1ccc(F)c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000176894422 402347311 /nfs/dbraw/zinc/34/73/11/402347311.db2.gz QLXAJOJOBXJRSM-AWEZNQCLSA-N 1 0 322.424 2.299 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1Cl ZINC000176903010 402348016 /nfs/dbraw/zinc/34/80/16/402348016.db2.gz MTQLXCFJIRBEEE-GFCCVEGCSA-N 1 0 323.824 2.221 10 0 DEAERO CCc1cccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000176922576 402350250 /nfs/dbraw/zinc/35/02/50/402350250.db2.gz SQUYKJDZJQQMFG-DZGCQCFKSA-N 1 0 308.447 2.106 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccoc1Br ZINC000234240001 402359468 /nfs/dbraw/zinc/35/94/68/402359468.db2.gz ZYTGOVKSMQUYDZ-VIFPVBQESA-N 1 0 301.184 2.208 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1noc2ccccc21 ZINC000177019510 402360295 /nfs/dbraw/zinc/36/02/95/402360295.db2.gz ARFAPQCINQFPJV-CYBMUJFWSA-N 1 0 301.390 2.313 10 0 DEAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccccn2)ncn1 ZINC000177125800 402372434 /nfs/dbraw/zinc/37/24/34/402372434.db2.gz ZFUIQSGNJRGQSW-KGLIPLIRSA-N 1 0 312.421 2.233 10 0 DEAERO O=C1[C@H](N2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1cccc(Cl)c1 ZINC000177143798 402374876 /nfs/dbraw/zinc/37/48/76/402374876.db2.gz CPWXJBAJDZLONJ-HZPDHXFCSA-N 1 0 319.836 2.225 10 0 DEAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000177185608 402379797 /nfs/dbraw/zinc/37/97/97/402379797.db2.gz MVCZPPDYYAXJKZ-KBPBESRZSA-N 1 0 300.406 2.438 10 0 DEAERO O=C(CC[N@@H+]1CCO[C@]2(CCOC2)C1)Nc1ccc(Cl)cc1 ZINC000185135736 402327433 /nfs/dbraw/zinc/32/74/33/402327433.db2.gz XREVIYVEXLXHDV-MRXNPFEDSA-N 1 0 324.808 2.160 10 0 DEAERO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2cncn2)C1(C)C ZINC000185198558 402333632 /nfs/dbraw/zinc/33/36/32/402333632.db2.gz CKMWMUDBVBYYHM-LSDHHAIUSA-N 1 0 315.421 2.344 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000228074077 402335805 /nfs/dbraw/zinc/33/58/05/402335805.db2.gz IPCJUVMGUFANPF-MWLCHTKSSA-N 1 0 302.827 2.006 10 0 DEAERO CC[C@@H]1CN(c2ncnc3cccc(C)c32)CC[N@@H+]1CCOC 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CCC[C@H](C(=O)NCCc1ccc(NC(C)=O)cc1)[NH+](C)C ZINC000162008559 402406617 /nfs/dbraw/zinc/40/66/17/402406617.db2.gz XRWDDFUPFGCIII-MRXNPFEDSA-N 1 0 305.422 2.034 10 0 DEAERO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000177473553 402406639 /nfs/dbraw/zinc/40/66/39/402406639.db2.gz OMYLEVODDVPQEC-SUNYJGFJSA-N 1 0 318.417 2.137 10 0 DEAERO COc1ccc(OCCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000237424218 402407941 /nfs/dbraw/zinc/40/79/41/402407941.db2.gz RGWRGOMXSZJDPQ-YIONKMFJSA-N 1 0 318.417 2.206 10 0 DEAERO C[C@@H](CO)[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186217906 402412092 /nfs/dbraw/zinc/41/20/92/402412092.db2.gz RATFRSKYZVJPKV-IINYFYTJSA-N 1 0 322.206 2.299 10 0 DEAERO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000186271573 402416505 /nfs/dbraw/zinc/41/65/05/402416505.db2.gz KNZQNVBKPRXKPK-SCTDSRPQSA-N 1 0 321.509 2.297 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]CCN(C)C2CCCC2)C12CCOCC2 ZINC000186323653 402421050 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Cc1cc2c(cc1C)[C@H](C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C)CO2 ZINC000186649042 402451385 /nfs/dbraw/zinc/45/13/85/402451385.db2.gz YFOCIIVVLVYYMF-IJEWVQPXSA-N 1 0 302.418 2.330 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000162886562 402435465 /nfs/dbraw/zinc/43/54/65/402435465.db2.gz ZJHDKDKZNGXAJT-MJBXVCDLSA-N 1 0 308.447 2.305 10 0 DEAERO C[C@H](C(=O)NCC1CCCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177778036 402435513 /nfs/dbraw/zinc/43/55/13/402435513.db2.gz UGDLXUXBWBHPJJ-NVXWUHKLSA-N 1 0 307.482 2.242 10 0 DEAERO CCc1noc2ncc(C(=O)N(C[C@H]3CCC[NH2+]3)C3CC3)cc12 ZINC000186511622 402438155 /nfs/dbraw/zinc/43/81/55/402438155.db2.gz YWIFCNZPHWRGKG-GFCCVEGCSA-N 1 0 314.389 2.142 10 0 DEAERO O=C(c1cc(-c2ccco2)on1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186531059 402439738 /nfs/dbraw/zinc/43/97/38/402439738.db2.gz KHHOLFMFOCQFPX-NSHDSACASA-N 1 0 301.346 2.291 10 0 DEAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177844877 402440887 /nfs/dbraw/zinc/44/08/87/402440887.db2.gz CJMNYDADEDEDCV-AAEUAGOBSA-N 1 0 315.410 2.449 10 0 DEAERO CCc1cnc(CCNC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)s1 ZINC000177884868 402442470 /nfs/dbraw/zinc/44/24/70/402442470.db2.gz YXFHBBPKVZADJF-CYBMUJFWSA-N 1 0 324.494 2.231 10 0 DEAERO CCc1nc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cs1 ZINC000177874605 402442479 /nfs/dbraw/zinc/44/24/79/402442479.db2.gz XBJGIMPRQILIEE-GFCCVEGCSA-N 1 0 310.467 2.189 10 0 DEAERO O=C(NCCC[NH+]1CCCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000177891497 402442837 /nfs/dbraw/zinc/44/28/37/402442837.db2.gz CVUZJYAESJMCGF-SJLPKXTDSA-N 1 0 323.481 2.199 10 0 DEAERO C[C@@H](C[NH+]1CCC(OC2CCCC2)CC1)CS(C)(=O)=O ZINC000163318063 402446910 /nfs/dbraw/zinc/44/69/10/402446910.db2.gz PCBKLNFWOWWNDL-ZDUSSCGKSA-N 1 0 303.468 2.091 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccn2ccnc2c1 ZINC000177968572 402447685 /nfs/dbraw/zinc/44/76/85/402447685.db2.gz OGFZBYXJPLJAJC-OAHLLOKOSA-N 1 0 317.437 2.110 10 0 DEAERO CCOc1c(F)cccc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237020912 402391419 /nfs/dbraw/zinc/39/14/19/402391419.db2.gz PTXAHPXBWPGYJA-UHFFFAOYSA-N 1 0 324.396 2.194 10 0 DEAERO O=S(=O)(CCC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)c1ccccc1 ZINC000177984122 402449163 /nfs/dbraw/zinc/44/91/63/402449163.db2.gz QXYGTDXXFVWTMF-WBVHZDCISA-N 1 0 323.458 2.351 10 0 DEAERO C[NH2+]C1CCN(C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)CC1 ZINC000237072580 402393445 /nfs/dbraw/zinc/39/34/45/402393445.db2.gz MQYFYFMGEVSING-GFCCVEGCSA-N 1 0 306.381 2.245 10 0 DEAERO O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000246103550 402509808 /nfs/dbraw/zinc/50/98/08/402509808.db2.gz HIDIXRCPBFNVPN-BRWVUGGUSA-N 1 0 315.392 2.337 10 0 DEAERO C[C@H]1CN(Cc2csc(-c3cccs3)n2)CC[N@@H+]1CCO ZINC000187725445 402510202 /nfs/dbraw/zinc/51/02/02/402510202.db2.gz SDVIDIPWGHIKEM-LBPRGKRZSA-N 1 0 323.487 2.370 10 0 DEAERO Fc1ccc(OCCC[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000170649977 402510486 /nfs/dbraw/zinc/51/04/86/402510486.db2.gz ABOMVFGBWSRFOQ-UHFFFAOYSA-N 1 0 316.380 2.207 10 0 DEAERO CCOC(=O)C[C@](C)([NH2+]CC(=O)NC(C)(C)CC)C(C)C ZINC000186677139 402454279 /nfs/dbraw/zinc/45/42/79/402454279.db2.gz KNQXBPISZQPVCZ-INIZCTEOSA-N 1 0 300.443 2.249 10 0 DEAERO Brc1cc(C[NH2+]CCCn2ccnn2)cs1 ZINC000163773084 402456919 /nfs/dbraw/zinc/45/69/19/402456919.db2.gz SOCJBRHTEQRLSZ-UHFFFAOYSA-N 1 0 301.213 2.282 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccccc1F ZINC000170662904 402512131 /nfs/dbraw/zinc/51/21/31/402512131.db2.gz RICDAMSMSHBZJJ-CYBMUJFWSA-N 1 0 314.426 2.120 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000245458707 402462630 /nfs/dbraw/zinc/46/26/30/402462630.db2.gz CZXFOYCTTSIBAQ-HZMVEIRTSA-N 1 0 309.498 2.486 10 0 DEAERO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)CC1(CO)CC1 ZINC000186761307 402462904 /nfs/dbraw/zinc/46/29/04/402462904.db2.gz PKPUCRYMKBWHCY-ZDUSSCGKSA-N 1 0 309.410 2.185 10 0 DEAERO CC[C@H](C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1)[NH+](C)C ZINC000164486432 402463102 /nfs/dbraw/zinc/46/31/02/402463102.db2.gz ITRZINPZRRQJEB-CQSZACIVSA-N 1 0 314.389 2.024 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000245513653 402467020 /nfs/dbraw/zinc/46/70/20/402467020.db2.gz APAJOGMQEUQRFR-KBPBESRZSA-N 1 0 311.470 2.458 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000164981018 402471564 /nfs/dbraw/zinc/47/15/64/402471564.db2.gz DAGCSOWTWPHLIM-CYBMUJFWSA-N 1 0 309.373 2.486 10 0 DEAERO O=C1NCCCC[C@@H]1[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000245589665 402472906 /nfs/dbraw/zinc/47/29/06/402472906.db2.gz FUUCURVIZGMLFX-ULQDDVLXSA-N 1 0 302.418 2.243 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(Cl)cn2)C1 ZINC000245634630 402476154 /nfs/dbraw/zinc/47/61/54/402476154.db2.gz BPNCJLJWNPYLDH-BXUZGUMPSA-N 1 0 310.829 2.263 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000165512957 402476851 /nfs/dbraw/zinc/47/68/51/402476851.db2.gz KENYVGGALUPUJU-OAHLLOKOSA-N 1 0 300.406 2.396 10 0 DEAERO CC[C@H]1CN([C@H](C)C(=O)NC(C)(C)CC)CCN1CC(F)F ZINC000245708943 402481702 /nfs/dbraw/zinc/48/17/02/402481702.db2.gz DTYJXFYXUIGUNC-OLZOCXBDSA-N 1 0 319.440 2.341 10 0 DEAERO CN1CC[C@H](NC(=O)NCC(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000245707283 402481755 /nfs/dbraw/zinc/48/17/55/402481755.db2.gz SEAVIOFWUZUXSW-WCQYABFASA-N 1 0 319.302 2.274 10 0 DEAERO CCC[C@H]1CN(C(=O)[C@H](C)c2cccnc2)CC[N@@H+]1CCOC ZINC000245869969 402492833 /nfs/dbraw/zinc/49/28/33/402492833.db2.gz GRUKLNAQQQFVOL-WBVHZDCISA-N 1 0 319.449 2.144 10 0 DEAERO COC[C@H](C)C[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000187346870 402495213 /nfs/dbraw/zinc/49/52/13/402495213.db2.gz GVRIKZXJNZRLDM-QGZVFWFLSA-N 1 0 305.466 2.023 10 0 DEAERO C[C@H](O)[C@@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000168441117 402496638 /nfs/dbraw/zinc/49/66/38/402496638.db2.gz CLMQIYZXXQXMEI-NWDGAFQWSA-N 1 0 307.419 2.433 10 0 DEAERO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000245914356 402496762 /nfs/dbraw/zinc/49/67/62/402496762.db2.gz 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CC(C)n1ccnc1CN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000171749981 402618061 /nfs/dbraw/zinc/61/80/61/402618061.db2.gz DCVCSUXPBZOPQC-OAHLLOKOSA-N 1 0 306.454 2.149 10 0 DEAERO COc1ccccc1C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(C)C ZINC000180581132 402620699 /nfs/dbraw/zinc/62/06/99/402620699.db2.gz ZMQVVGQQMROAOR-HOTGVXAUSA-N 1 0 314.433 2.458 10 0 DEAERO c1nnc([C@H]2CCCN(CCC[NH+]3CCCC3)C2)n1C1CC1 ZINC000180868651 402628550 /nfs/dbraw/zinc/62/85/50/402628550.db2.gz DQYLMCXRDUYULX-HNNXBMFYSA-N 1 0 303.454 2.278 10 0 DEAERO COCCN1CCC[N@H+](CCCc2ccc(Cl)cc2)CC1=O ZINC000190792301 402623119 /nfs/dbraw/zinc/62/31/19/402623119.db2.gz CYVCHMMVLIJMIQ-UHFFFAOYSA-N 1 0 324.852 2.453 10 0 DEAERO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000249246491 402624161 /nfs/dbraw/zinc/62/41/61/402624161.db2.gz DZHKDXXZUXURLW-YUELXQCFSA-N 1 0 306.381 2.336 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000249293223 402625052 /nfs/dbraw/zinc/62/50/52/402625052.db2.gz WVTLMCFNCLVBSH-IUODEOHRSA-N 1 0 323.412 2.362 10 0 DEAERO CSCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179168456 402577471 /nfs/dbraw/zinc/57/74/71/402577471.db2.gz ZGELMEPQRZBYCJ-GJZGRUSLSA-N 1 0 307.463 2.484 10 0 DEAERO CCCCN(C)C(=O)C1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000180930367 402630571 /nfs/dbraw/zinc/63/05/71/402630571.db2.gz MLOAHPIJFYCTDY-GOSISDBHSA-N 1 0 323.481 2.016 10 0 DEAERO CC[N@H+](CCNC(=O)Nc1ccc(-c2ncon2)cc1)C1CC1 ZINC000171892853 402632159 /nfs/dbraw/zinc/63/21/59/402632159.db2.gz MNSHSKBETREOQN-UHFFFAOYSA-N 1 0 315.377 2.342 10 0 DEAERO C[C@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCCO1 ZINC000249684285 402638258 /nfs/dbraw/zinc/63/82/58/402638258.db2.gz DGYCHKRNQFTPTC-UAGQMJEPSA-N 1 0 319.449 2.026 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(CC(C)C)c1 ZINC000181221725 402638396 /nfs/dbraw/zinc/63/83/96/402638396.db2.gz VLCXMMUVULAJML-JKSUJKDBSA-N 1 0 304.438 2.238 10 0 DEAERO C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000249697178 402638472 /nfs/dbraw/zinc/63/84/72/402638472.db2.gz AHZHRNCESYRPBB-SJORKVTESA-N 1 0 302.418 2.318 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)[C@H]1COc2ccccc21 ZINC000249789596 402641905 /nfs/dbraw/zinc/64/19/05/402641905.db2.gz DYMIULRMUUYHOI-WOSRLPQWSA-N 1 0 323.458 2.354 10 0 DEAERO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000249948127 402643972 /nfs/dbraw/zinc/64/39/72/402643972.db2.gz ZVPDVBSVBDQYSO-HZPDHXFCSA-N 1 0 321.396 2.380 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000250070308 402644457 /nfs/dbraw/zinc/64/44/57/402644457.db2.gz NWIJXHLUNMEIQS-SCDSUCTJSA-N 1 0 308.809 2.005 10 0 DEAERO O=C(C[C@@H]1OCCc2ccccc21)N1CCC[N@@H+](C2CC2)CC1 ZINC000172207355 402644983 /nfs/dbraw/zinc/64/49/83/402644983.db2.gz WXVBBPHQOWDITC-SFHVURJKSA-N 1 0 314.429 2.387 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCC[C@@H]2CCCCO2)CC1 ZINC000181829124 402658184 /nfs/dbraw/zinc/65/81/84/402658184.db2.gz RXJOGNDVVYFOAX-INIZCTEOSA-N 1 0 311.470 2.367 10 0 DEAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000250470746 402646393 /nfs/dbraw/zinc/64/63/93/402646393.db2.gz QGNOCFVUMNFKJG-MELADBBJSA-N 1 0 313.394 2.201 10 0 DEAERO Cc1ccc(OC[C@H](O)C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c(C)c1 ZINC000191163041 402647063 /nfs/dbraw/zinc/64/70/63/402647063.db2.gz PTGMPQZQWSWRGE-YQQAZPJKSA-N 1 0 307.434 2.277 10 0 DEAERO Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CC[C@H]([NH+](C)C)C3)c2c1 ZINC000181502473 402647468 /nfs/dbraw/zinc/64/74/68/402647468.db2.gz AYXCRQSQQGQXJT-NSHDSACASA-N 1 0 317.364 2.164 10 0 DEAERO C[C@H]1OCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000191312835 402659853 /nfs/dbraw/zinc/65/98/53/402659853.db2.gz KQFUIBBSIQDEEL-WBVHZDCISA-N 1 0 304.434 2.440 10 0 DEAERO C[C@@H](NC(=O)[C@H](C)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000172347183 402651580 /nfs/dbraw/zinc/65/15/80/402651580.db2.gz SLBYRUJKYZOTBH-CVEARBPZSA-N 1 0 315.461 2.422 10 0 DEAERO CO[C@@H]1CN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC[C@H]1C ZINC000251911560 402651716 /nfs/dbraw/zinc/65/17/16/402651716.db2.gz RTCZDMUUXDDZMP-ZJIFWQFVSA-N 1 0 311.470 2.173 10 0 DEAERO CC(C)[C@@H](C)CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000172410042 402654495 /nfs/dbraw/zinc/65/44/95/402654495.db2.gz OXGVTHNRECMKTI-INIZCTEOSA-N 1 0 317.477 2.456 10 0 DEAERO Cc1c(Cl)cccc1OCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172515772 402660317 /nfs/dbraw/zinc/66/03/17/402660317.db2.gz KAAIQKIGRAOBDP-ZDUSSCGKSA-N 1 0 308.809 2.334 10 0 DEAERO COCC[NH+]1CCC(N[C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000173639890 402706251 /nfs/dbraw/zinc/70/62/51/402706251.db2.gz ZOXJRYSRWNRKPW-GFCCVEGCSA-N 1 0 310.442 2.129 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182656421 402706678 /nfs/dbraw/zinc/70/66/78/402706678.db2.gz XEIPDKVYWQLYBU-DZGCQCFKSA-N 1 0 307.442 2.377 10 0 DEAERO CC[C@@H]1CN(Cc2ccccc2N(C)C)CC[N@@H+]1CCOC ZINC000173680619 402708023 /nfs/dbraw/zinc/70/80/23/402708023.db2.gz PJECSFAHKLQJHD-QGZVFWFLSA-N 1 0 305.466 2.295 10 0 DEAERO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000182677469 402708338 /nfs/dbraw/zinc/70/83/38/402708338.db2.gz UPDPIUOCTNXYBZ-WBVHZDCISA-N 1 0 324.490 2.064 10 0 DEAERO COc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1O ZINC000173709764 402709675 /nfs/dbraw/zinc/70/96/75/402709675.db2.gz OMNGAZWLIWHDLV-OCCSQVGLSA-N 1 0 321.421 2.025 10 0 DEAERO Fc1ccc(OCCC[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173946894 402721370 /nfs/dbraw/zinc/72/13/70/402721370.db2.gz BIKPKLDZNJDKHG-INIZCTEOSA-N 1 0 308.397 2.001 10 0 DEAERO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1cccs1)C(=O)OC ZINC000182730447 402712560 /nfs/dbraw/zinc/71/25/60/402712560.db2.gz JOMMRGPPDMFSIQ-MJVIPROJSA-N 1 0 312.435 2.103 10 0 DEAERO COC[C@@H]1C[N@H+](Cc2c(C)n[nH]c2C)C[C@H]1c1ccncc1 ZINC000253396882 402663314 /nfs/dbraw/zinc/66/33/14/402663314.db2.gz BHQRPXPVVNRUNA-RDJZCZTQSA-N 1 0 300.406 2.284 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2snnc2C(C)(C)C)CC[N@@H+]1C ZINC000191430499 402668954 /nfs/dbraw/zinc/66/89/54/402668954.db2.gz WBLBSSHDQUHTGI-QWRGUYRKSA-N 1 0 310.467 2.390 10 0 DEAERO CC[C@H]1CN(CCC(=O)c2ccccc2)CC[N@@H+]1CCOC ZINC000182235763 402674633 /nfs/dbraw/zinc/67/46/33/402674633.db2.gz VBRJVOWNSFOCQZ-KRWDZBQOSA-N 1 0 304.434 2.302 10 0 DEAERO O=C(/C=C\c1ccc(Cl)nc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000255036892 402676177 /nfs/dbraw/zinc/67/61/77/402676177.db2.gz JSLIBKGQKXMFEL-VSKVDJIOSA-N 1 0 305.809 2.445 10 0 DEAERO C[C@H]1C[C@@H](N(C)CC(=O)Nc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000172847491 402678011 /nfs/dbraw/zinc/67/80/11/402678011.db2.gz YSTDMVZQIVOROH-NHYWBVRUSA-N 1 0 311.376 2.318 10 0 DEAERO C[C@@H]1C[C@@H](N(C)Cc2nccn2CC(F)(F)F)CC[N@@H+]1C ZINC000172842828 402678045 /nfs/dbraw/zinc/67/80/45/402678045.db2.gz MXCULEMDKIBTTL-NEPJUHHUSA-N 1 0 304.360 2.360 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CS[C@@H](C)C(C)C)C1 ZINC000172971294 402681417 /nfs/dbraw/zinc/68/14/17/402681417.db2.gz IGJUXBTUKHAWKD-GJZGRUSLSA-N 1 0 316.511 2.237 10 0 DEAERO CC1(C)C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c2ccc(F)cc2O1 ZINC000261949003 402719814 /nfs/dbraw/zinc/71/98/14/402719814.db2.gz JXGBDKIHNNYEKD-XBFCOCLRSA-N 1 0 322.380 2.050 10 0 DEAERO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000173256646 402689622 /nfs/dbraw/zinc/68/96/22/402689622.db2.gz IVHPBQWSNVWDKE-CJNGLKHVSA-N 1 0 322.497 2.308 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCc2ccc(F)cc21 ZINC000261964709 402720612 /nfs/dbraw/zinc/72/06/12/402720612.db2.gz YEVDXIJEDYLJIU-SIIHOXLZSA-N 1 0 318.392 2.247 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccccc2Cl)CC1 ZINC000255780269 402696644 /nfs/dbraw/zinc/69/66/44/402696644.db2.gz ZSFCVKWVNNYVJL-ZPIQOJFGSA-N 1 0 322.836 2.268 10 0 DEAERO COc1ccc([C@@H](CNCc2cocn2)[NH+](C)C)cc1OC ZINC000192280283 402720888 /nfs/dbraw/zinc/72/08/88/402720888.db2.gz YWEVAQUJWVDYEE-CQSZACIVSA-N 1 0 305.378 2.084 10 0 DEAERO CN(C)C(=O)[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1c1cccnc1 ZINC000257188594 402701108 /nfs/dbraw/zinc/70/11/08/402701108.db2.gz MXMVYWGLNWFIIF-RBUKOAKNSA-N 1 0 323.440 2.428 10 0 DEAERO Cc1cc(N2CC[C@H]([N@@H+]3CCCC(C)(C)CC3)C2=O)n(C)n1 ZINC000173532369 402701952 /nfs/dbraw/zinc/70/19/52/402701952.db2.gz CWVPKUDMLMJQRI-AWEZNQCLSA-N 1 0 304.438 2.346 10 0 DEAERO O=C1[C@H]([NH2+][C@H](CO)c2ccccc2)CCN1c1ccccc1F ZINC000182904672 402725565 /nfs/dbraw/zinc/72/55/65/402725565.db2.gz PRQAIFCFHKLDGH-HZPDHXFCSA-N 1 0 314.360 2.254 10 0 DEAERO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1O ZINC000174072254 402725852 /nfs/dbraw/zinc/72/58/52/402725852.db2.gz KYBGYKBBGMPANU-JSGCOSHPSA-N 1 0 321.421 2.025 10 0 DEAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NCc1cccs1 ZINC000182908622 402726138 /nfs/dbraw/zinc/72/61/38/402726138.db2.gz FOHGYJXLPPBZQC-IUODEOHRSA-N 1 0 304.415 2.076 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)CCc2nc(C(C)(C)C)no2)C1 ZINC000174143632 402728547 /nfs/dbraw/zinc/72/85/47/402728547.db2.gz AUEMOBLQVMSAOD-ZDUSSCGKSA-N 1 0 322.453 2.242 10 0 DEAERO COCc1csc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000174373230 402738542 /nfs/dbraw/zinc/73/85/42/402738542.db2.gz HREWHNSNUOWCGE-CYBMUJFWSA-N 1 0 324.450 2.382 10 0 DEAERO COCc1csc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000174393072 402738939 /nfs/dbraw/zinc/73/89/39/402738939.db2.gz UXCXXCNPBQSSSL-NSHDSACASA-N 1 0 312.439 2.095 10 0 DEAERO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCCO1 ZINC000183125175 402740947 /nfs/dbraw/zinc/74/09/47/402740947.db2.gz WSTRGUIDVPONDK-MFKMUULPSA-N 1 0 319.373 2.340 10 0 DEAERO Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175121152 402780871 /nfs/dbraw/zinc/78/08/71/402780871.db2.gz KUVJZKGXSVNFJP-CJNGLKHVSA-N 1 0 318.465 2.149 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000183143757 402742901 /nfs/dbraw/zinc/74/29/01/402742901.db2.gz XNXLOJTVXLMKPQ-HUUCEWRRSA-N 1 0 303.406 2.309 10 0 DEAERO CC[C@H]1CN(C(=O)CCc2cccc(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174635073 402749613 /nfs/dbraw/zinc/74/96/13/402749613.db2.gz ANIXMKRBKXISLC-AEFFLSMTSA-N 1 0 318.461 2.231 10 0 DEAERO CC[C@H]1CN(C(=O)CCc2ccc(C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174642016 402750229 /nfs/dbraw/zinc/75/02/29/402750229.db2.gz XXSMLEBBXQENTH-AEFFLSMTSA-N 1 0 318.461 2.231 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000174641025 402750288 /nfs/dbraw/zinc/75/02/88/402750288.db2.gz JMHPOINKFBJENA-AWEZNQCLSA-N 1 0 320.437 2.045 10 0 DEAERO CC[NH+](CC)CCSCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000174681791 402751824 /nfs/dbraw/zinc/75/18/24/402751824.db2.gz AIWQWYJCINZKBE-HUUCEWRRSA-N 1 0 314.495 2.231 10 0 DEAERO O=C(NCc1cc(F)ccc1F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174752228 402755283 /nfs/dbraw/zinc/75/52/83/402755283.db2.gz QTXYMLGPANNNBW-CQSZACIVSA-N 1 0 307.344 2.121 10 0 DEAERO Cc1cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c(C)o1 ZINC000183325871 402756641 /nfs/dbraw/zinc/75/66/41/402756641.db2.gz AVMTXTXQYGKLKM-UHFFFAOYSA-N 1 0 314.451 2.295 10 0 DEAERO C[C@@H]1CCc2c(-c3nc([C@H]4C[NH2+]CCN4C)no3)csc2C1 ZINC000263312540 402757579 /nfs/dbraw/zinc/75/75/79/402757579.db2.gz YXPISMVDXVUCEP-ZWNOBZJWSA-N 1 0 318.446 2.499 10 0 DEAERO C[C@H](Sc1ccccc1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263316184 402757932 /nfs/dbraw/zinc/75/79/32/402757932.db2.gz ZMSIYDIPCOBOJB-AAEUAGOBSA-N 1 0 304.419 2.499 10 0 DEAERO C[C@@H](Sc1ccccc1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263316187 402757988 /nfs/dbraw/zinc/75/79/88/402757988.db2.gz ZMSIYDIPCOBOJB-YPMHNXCESA-N 1 0 304.419 2.499 10 0 DEAERO C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)N1CCc2ccccc21 ZINC000183342089 402758778 /nfs/dbraw/zinc/75/87/78/402758778.db2.gz PVQWDVHUMPCIQN-CQSZACIVSA-N 1 0 324.428 2.329 10 0 DEAERO COc1ccc(/C=C/C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1O ZINC000183502925 402772572 /nfs/dbraw/zinc/77/25/72/402772572.db2.gz UHXXKZNRFJUAAP-VFADXPBXSA-N 1 0 316.401 2.111 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc(C)cc1 ZINC000175039405 402773421 /nfs/dbraw/zinc/77/34/21/402773421.db2.gz ZUARHCKPFLSBTE-HZPDHXFCSA-N 1 0 302.418 2.459 10 0 DEAERO C[C@H](CCc1cccn1C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183588148 402778834 /nfs/dbraw/zinc/77/88/34/402778834.db2.gz GLIPBBOARIWONH-CYBMUJFWSA-N 1 0 300.406 2.237 10 0 DEAERO C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)Oc1ccccc1F ZINC000183589993 402779696 /nfs/dbraw/zinc/77/96/96/402779696.db2.gz GZSMDRPSXBDCKE-LBPRGKRZSA-N 1 0 317.364 2.484 10 0 DEAERO Cc1ccc(N2CC[C@@H]([NH2+][C@@H](CO)c3ccccc3)C2=O)cc1 ZINC000182895474 402725192 /nfs/dbraw/zinc/72/51/92/402725192.db2.gz HQIIVABBDSHHLS-MSOLQXFVSA-N 1 0 310.397 2.424 10 0 DEAERO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175236709 402790151 /nfs/dbraw/zinc/79/01/51/402790151.db2.gz AHPMWCSLDPKLFI-CHWSQXEVSA-N 1 0 314.389 2.385 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000194326927 402791953 /nfs/dbraw/zinc/79/19/53/402791953.db2.gz XQGLEBMYCLTMCZ-HNNXBMFYSA-N 1 0 304.394 2.251 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000194353624 402793360 /nfs/dbraw/zinc/79/33/60/402793360.db2.gz KIRTZJLIIVNYJU-PBHICJAKSA-N 1 0 322.424 2.389 10 0 DEAERO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCNC(=O)c1ccccc1 ZINC000183740455 402793472 /nfs/dbraw/zinc/79/34/72/402793472.db2.gz SBFFTIZLQMYLPO-ZDUSSCGKSA-N 1 0 306.406 2.126 10 0 DEAERO C=Cn1cc(C[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)cn1 ZINC000194369192 402793971 /nfs/dbraw/zinc/79/39/71/402793971.db2.gz IWQDQWFDKINVDJ-INIZCTEOSA-N 1 0 302.422 2.254 10 0 DEAERO Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195329373 402842236 /nfs/dbraw/zinc/84/22/36/402842236.db2.gz OAADKGVVGNUVSG-LLVKDONJSA-N 1 0 313.323 2.329 10 0 DEAERO O=C(c1cc(-c2cccs2)n[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195333032 402842367 /nfs/dbraw/zinc/84/23/67/402842367.db2.gz LKAYGLDWPUZCQF-LLVKDONJSA-N 1 0 302.403 2.058 10 0 DEAERO O[C@@H](C[N@@H+]1CCCN(c2ccccn2)CC1)c1ccccc1F ZINC000183811877 402799712 /nfs/dbraw/zinc/79/97/12/402799712.db2.gz OFFVGNPKXCYOON-KRWDZBQOSA-N 1 0 315.392 2.466 10 0 DEAERO CC1=NN(c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000195332219 402842537 /nfs/dbraw/zinc/84/25/37/402842537.db2.gz GWNUSRHWNBSKNK-KRWDZBQOSA-N 1 0 312.417 2.193 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)Cc1ccccc1F ZINC000175391845 402802426 /nfs/dbraw/zinc/80/24/26/402802426.db2.gz LWPQGBOLKATGAP-CQSZACIVSA-N 1 0 314.426 2.072 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)Cc1cccc(F)c1 ZINC000175392606 402802557 /nfs/dbraw/zinc/80/25/57/402802557.db2.gz JPCPWSMNQLVUJP-HNNXBMFYSA-N 1 0 314.426 2.072 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C)ccc1C ZINC000175399500 402803242 /nfs/dbraw/zinc/80/32/42/402803242.db2.gz NGNQKFOFKMZNIA-OAHLLOKOSA-N 1 0 310.463 2.408 10 0 DEAERO Cc1cc(C)c(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)o1 ZINC000175407952 402804300 /nfs/dbraw/zinc/80/43/00/402804300.db2.gz OEQOCEVHFUZTSB-INIZCTEOSA-N 1 0 319.449 2.139 10 0 DEAERO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2C)cnn1Cc1ccccc1 ZINC000194699072 402811268 /nfs/dbraw/zinc/81/12/68/402811268.db2.gz RUQGLVXUYZMBOQ-INIZCTEOSA-N 1 0 312.417 2.064 10 0 DEAERO O=C(Nc1cccc2c1OCC[C@@H]2O)C1CC[NH+](C2CC2)CC1 ZINC000194865375 402820111 /nfs/dbraw/zinc/82/01/11/402820111.db2.gz FYGOQJUDEBROOG-INIZCTEOSA-N 1 0 316.401 2.315 10 0 DEAERO CCOC[C@@H]1CC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000195040007 402828132 /nfs/dbraw/zinc/82/81/32/402828132.db2.gz HNQNKUAIRKBRLO-CYBMUJFWSA-N 1 0 306.431 2.458 10 0 DEAERO COc1ccc(CCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000195076977 402830509 /nfs/dbraw/zinc/83/05/09/402830509.db2.gz DKUSPISBATTXGN-INIZCTEOSA-N 1 0 302.418 2.325 10 0 DEAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1cccc2[nH]ccc21 ZINC000195161054 402834795 /nfs/dbraw/zinc/83/47/95/402834795.db2.gz FWALCWZTYGYPDM-ZDUSSCGKSA-N 1 0 316.405 2.136 10 0 DEAERO CCOc1ncccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195223091 402837824 /nfs/dbraw/zinc/83/78/24/402837824.db2.gz RDRBJUKCSJZARI-ZDUSSCGKSA-N 1 0 304.394 2.182 10 0 DEAERO Cc1ccc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)s1 ZINC000175854192 402838671 /nfs/dbraw/zinc/83/86/71/402838671.db2.gz WEZSPRGUVYCUFN-UHFFFAOYSA-N 1 0 311.451 2.367 10 0 DEAERO CCN(CC)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195314845 402841572 /nfs/dbraw/zinc/84/15/72/402841572.db2.gz UORVBPHBTODXGR-KRWDZBQOSA-N 1 0 301.434 2.453 10 0 DEAERO CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194151562 402785714 /nfs/dbraw/zinc/78/57/14/402785714.db2.gz UKOSMHNGEWHAHB-HNNXBMFYSA-N 1 0 317.433 2.178 10 0 DEAERO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000183665994 402787223 /nfs/dbraw/zinc/78/72/23/402787223.db2.gz TVAROYAWFNZQHA-QAPCUYQASA-N 1 0 312.413 2.323 10 0 DEAERO C[C@@H](CCc1cccn1C)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000176032846 402849132 /nfs/dbraw/zinc/84/91/32/402849132.db2.gz MIIVFEZUQLKJNV-DOTOQJQBSA-N 1 0 316.449 2.002 10 0 DEAERO CCc1nnc(C)cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000273626901 403021330 /nfs/dbraw/zinc/02/13/30/403021330.db2.gz RUSCDXBWJJPMAR-AGUYFDCRSA-N 1 0 302.422 2.093 10 0 DEAERO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000275698185 403116616 /nfs/dbraw/zinc/11/66/16/403116616.db2.gz XJHOIUKKSVTBPO-SCZPIIQISA-N 1 0 324.428 2.238 10 0 DEAERO COc1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1F ZINC000261635857 286306030 /nfs/dbraw/zinc/30/60/30/286306030.db2.gz FFXWSOPXOHZHMH-INIZCTEOSA-N 1 0 301.365 2.376 10 0 DEAERO C[C@@H]1CSCCN(C(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000277388773 403212569 /nfs/dbraw/zinc/21/25/69/403212569.db2.gz JJLDJNHTZXAALX-LBPRGKRZSA-N 1 0 308.451 2.114 10 0 DEAERO C[N@@H+]1CC[C@H]2OCCN(c3ncnc4c5ccccc5oc43)[C@H]2C1 ZINC000284426362 403267715 /nfs/dbraw/zinc/26/77/15/403267715.db2.gz AEXRXYFGGRFKCH-DZGCQCFKSA-N 1 0 324.384 2.285 10 0 DEAERO C[C@@H](CCC(C)(C)C)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000342687796 403308396 /nfs/dbraw/zinc/30/83/96/403308396.db2.gz KCUKKKZXAODWKZ-ZDUSSCGKSA-N 1 0 304.500 2.462 10 0 DEAERO CC(=O)N(C)c1ccccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000330968505 403313073 /nfs/dbraw/zinc/31/30/73/403313073.db2.gz RDJAEPYZQPHLHI-CHWSQXEVSA-N 1 0 303.406 2.481 10 0 DEAERO c1nc2ncnc(NCCNc3ccc4ccccc4n3)c2[nH]1 ZINC000301260152 403607116 /nfs/dbraw/zinc/60/71/16/403607116.db2.gz UVTAHQKXKVPQLU-UHFFFAOYSA-N 1 0 305.345 2.425 10 0 DEAERO C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)C(=O)N1CCCC1 ZINC000343502162 403615670 /nfs/dbraw/zinc/61/56/70/403615670.db2.gz JZVOXCADTIDSDQ-OOHWJJMZSA-N 1 0 302.418 2.335 10 0 DEAERO Cn1cc([C@H](CNc2ncnc3ccc(F)cc32)[NH+](C)C)cn1 ZINC000301296218 403612176 /nfs/dbraw/zinc/61/21/76/403612176.db2.gz RWDJMOMOGKNNDG-HNNXBMFYSA-N 1 0 314.368 2.217 10 0 DEAERO c1cnn(-c2ccc(C[NH2+]Cc3cn4cccnc4n3)cc2)c1 ZINC000343648934 403677736 /nfs/dbraw/zinc/67/77/36/403677736.db2.gz ZQCFSDXOEHRIJX-UHFFFAOYSA-N 1 0 304.357 2.205 10 0 DEAERO CN(C(=O)Nc1ccc2c(c1)N(C)CCO2)[C@@H]1CCC[NH2+]CC1 ZINC000333217201 403697608 /nfs/dbraw/zinc/69/76/08/403697608.db2.gz VSSMDVCRCOOXHK-CQSZACIVSA-N 1 0 318.421 2.121 10 0 DEAERO CC[C@H]1CN(c2nc(CC(C)C)ns2)CC[N@@H+]1C[C@H](C)O ZINC000302311272 403710600 /nfs/dbraw/zinc/71/06/00/403710600.db2.gz SPKFAMNHONWWLJ-STQMWFEESA-N 1 0 312.483 2.018 10 0 DEAERO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000333017464 403649043 /nfs/dbraw/zinc/64/90/43/403649043.db2.gz HHMCKUOHLGGSNT-PXAZEXFGSA-N 1 0 312.373 2.010 10 0 DEAERO COc1nccc2cc(NC(=O)N3C[C@H](C)[C@H]([NH3+])C3)ccc21 ZINC000333300919 403720657 /nfs/dbraw/zinc/72/06/57/403720657.db2.gz KHQWRLQNPZQWJL-IINYFYTJSA-N 1 0 300.362 2.054 10 0 DEAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CCO[C@@H](C2CC2)C1 ZINC000333342189 403729575 /nfs/dbraw/zinc/72/95/75/403729575.db2.gz PWLZDALRAYFLEW-OAHLLOKOSA-N 1 0 319.380 2.114 10 0 DEAERO Cc1ncc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c(C2CC2)n1 ZINC000333365967 403735538 /nfs/dbraw/zinc/73/55/38/403735538.db2.gz YDXQMBGDSHZBKQ-OAHLLOKOSA-N 1 0 317.437 2.466 10 0 DEAERO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)NCc1ccccc1 ZINC000303678953 403755761 /nfs/dbraw/zinc/75/57/61/403755761.db2.gz RGZFSBJEOYKMJH-KURKYZTESA-N 1 0 316.445 2.318 10 0 DEAERO Nc1cccnc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000303621475 403756099 /nfs/dbraw/zinc/75/60/99/403756099.db2.gz WCNPZEYWXXDPHV-UHFFFAOYSA-N 1 0 310.401 2.058 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)C[C@H](c2ccc(F)cc2)O1 ZINC000333660891 403807015 /nfs/dbraw/zinc/80/70/15/403807015.db2.gz LNTVDFULSDSPLZ-UHOFOFEASA-N 1 0 321.396 2.049 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000333588039 403786084 /nfs/dbraw/zinc/78/60/84/403786084.db2.gz ASVKSBSYJLHLGP-HZMBPMFUSA-N 1 0 323.824 2.072 10 0 DEAERO NC(=O)CC1(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000333775554 403857055 /nfs/dbraw/zinc/85/70/55/403857055.db2.gz SJUKVMONYGIGIZ-CQSZACIVSA-N 1 0 322.453 2.352 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N[C@H]1CCCOc2ccccc21 ZINC000333797195 403863819 /nfs/dbraw/zinc/86/38/19/403863819.db2.gz NLHPTMVXQWLREO-HIFRSBDPSA-N 1 0 303.406 2.342 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCOC2(C)C)c1 ZINC000295372414 403888149 /nfs/dbraw/zinc/88/81/49/403888149.db2.gz ZZHKMUOPYSMVGD-ABAIWWIYSA-N 1 0 304.390 2.373 10 0 DEAERO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362926090 404006735 /nfs/dbraw/zinc/00/67/35/404006735.db2.gz XMGPLHCBHKWVAR-ZDUSSCGKSA-N 1 0 304.369 2.200 10 0 DEAERO Cc1sc2nc(CN3CCC[C@@H]([NH+](C)C)C3)nc(N)c2c1C ZINC000316257742 404024458 /nfs/dbraw/zinc/02/44/58/404024458.db2.gz FVVVHAUWUYTNHK-GFCCVEGCSA-N 1 0 319.478 2.416 10 0 DEAERO Cc1nnc([C@@H]2CCCCN2C(=O)[C@H](C)[NH+]2CCCCCC2)[nH]1 ZINC000328674724 404129169 /nfs/dbraw/zinc/12/91/69/404129169.db2.gz KCBCKOLXNNMNGN-ZFWWWQNUSA-N 1 0 319.453 2.431 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000355420939 404332273 /nfs/dbraw/zinc/33/22/73/404332273.db2.gz LGHQINZDEHECMF-BRSBDYLESA-N 1 0 308.466 2.430 10 0 DEAERO CO[C@H]1C[C@H](CO)[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000344679990 404302866 /nfs/dbraw/zinc/30/28/66/404302866.db2.gz QSDMTXKOUOIDLQ-NEPJUHHUSA-N 1 0 320.216 2.454 10 0 DEAERO Cc1noc([C@@H]2CC[N@H+](Cc3ccc(-n4cncn4)c(C)c3)C2)n1 ZINC000344826136 404389351 /nfs/dbraw/zinc/38/93/51/404389351.db2.gz KRJUXRVWPSIQQG-OAHLLOKOSA-N 1 0 324.388 2.257 10 0 DEAERO CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)[nH]1 ZINC000370722877 404405138 /nfs/dbraw/zinc/40/51/38/404405138.db2.gz UPIBHDQWPDOZIE-OAHLLOKOSA-N 1 0 312.417 2.176 10 0 DEAERO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)ccn1 ZINC000329647972 404407671 /nfs/dbraw/zinc/40/76/71/404407671.db2.gz BLSSRXINAXVPTQ-CZUORRHYSA-N 1 0 300.362 2.366 10 0 DEAERO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(O)c3)n1)OC2 ZINC000329698326 404424961 /nfs/dbraw/zinc/42/49/61/404424961.db2.gz YUPKPQFSTZLBSZ-CZUORRHYSA-N 1 0 301.346 2.368 10 0 DEAERO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(O)c3)n1)OC2 ZINC000329698324 404426070 /nfs/dbraw/zinc/42/60/70/404426070.db2.gz YUPKPQFSTZLBSZ-BBRMVZONSA-N 1 0 301.346 2.368 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)N(C)C)cc1F ZINC000342250106 404466612 /nfs/dbraw/zinc/46/66/12/404466612.db2.gz YZTMPERWTNVMRV-LBPRGKRZSA-N 1 0 302.415 2.066 10 0 DEAERO Cc1ccnc(C2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)n1 ZINC000365273868 404595390 /nfs/dbraw/zinc/59/53/90/404595390.db2.gz KZAJHIMCFZGWNR-HNNXBMFYSA-N 1 0 315.417 2.450 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000373924472 404641135 /nfs/dbraw/zinc/64/11/35/404641135.db2.gz MEXJUXNQBRLSHC-DZGCQCFKSA-N 1 0 319.453 2.492 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cn(C)nc2C2CC2)CC[N@@H+]1C ZINC000292018777 404630270 /nfs/dbraw/zinc/63/02/70/404630270.db2.gz JMJRKMYSSBWNSP-YPMHNXCESA-N 1 0 305.426 2.244 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000375753573 404739555 /nfs/dbraw/zinc/73/95/55/404739555.db2.gz AGMXACQFQCYPQC-TUVASFSCSA-N 1 0 310.438 2.116 10 0 DEAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000358145124 404754696 /nfs/dbraw/zinc/75/46/96/404754696.db2.gz SOFSEIKVZLFVBT-HIFRSBDPSA-N 1 0 321.469 2.217 10 0 DEAERO CCCCOC[C@H](O)C[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000376083613 404800141 /nfs/dbraw/zinc/80/01/41/404800141.db2.gz ORRFWLDUIOUWQT-MRXNPFEDSA-N 1 0 307.434 2.273 10 0 DEAERO CC[C@H](CO)[N@H+](C)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000451159488 404883856 /nfs/dbraw/zinc/88/38/56/404883856.db2.gz QUJMFWFNDDVHOC-OAHLLOKOSA-N 1 0 318.373 2.331 10 0 DEAERO C[C@@H]1CN(CCN(C)C(=O)N[C@H]2CCC23CCCC3)C[C@H](C)O1 ZINC000434420643 404895678 /nfs/dbraw/zinc/89/56/78/404895678.db2.gz HKQZERBCTPJFSF-XHSDSOJGSA-N 1 0 323.481 2.460 10 0 DEAERO CN(CC1CC1)C(=O)C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361057926 404898458 /nfs/dbraw/zinc/89/84/58/404898458.db2.gz AJTSBEIYWPOUCH-UHFFFAOYSA-N 1 0 318.465 2.244 10 0 DEAERO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC2(C1)CCCCC2 ZINC000377877459 404849419 /nfs/dbraw/zinc/84/94/19/404849419.db2.gz BRRBAYVIWCWJBL-CVEARBPZSA-N 1 0 321.465 2.215 10 0 DEAERO c1cc(-c2ccc(C[NH2+]C[C@@H]3COC4(CCCC4)O3)o2)n[nH]1 ZINC000366836483 404855670 /nfs/dbraw/zinc/85/56/70/404855670.db2.gz NFXASKNXEYYGIX-CYBMUJFWSA-N 1 0 303.362 2.445 10 0 DEAERO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@H]1[NH3+] ZINC000423955239 404945432 /nfs/dbraw/zinc/94/54/32/404945432.db2.gz ORFYOSSVZJKVRY-ZWNOBZJWSA-N 1 0 323.234 2.286 10 0 DEAERO C[C@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)C[C@H]1[NH3+] ZINC000423967448 404951243 /nfs/dbraw/zinc/95/12/43/404951243.db2.gz XLKWXWRDZXHNLQ-GZMMTYOYSA-N 1 0 303.189 2.178 10 0 DEAERO CC(C)OCC[NH+]1CCC(NC(=O)N2CCC23CCC3)CC1 ZINC000435558829 404990136 /nfs/dbraw/zinc/99/01/36/404990136.db2.gz NYPCWICJACKMII-UHFFFAOYSA-N 1 0 309.454 2.214 10 0 DEAERO CC(=O)c1ccccc1OCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000404832431 405069675 /nfs/dbraw/zinc/06/96/75/405069675.db2.gz HXVRNUDLWMQUMI-AWEZNQCLSA-N 1 0 314.389 2.027 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000408098968 405111525 /nfs/dbraw/zinc/11/15/25/405111525.db2.gz UHJVSPNAZJXXOL-AWEZNQCLSA-N 1 0 312.435 2.227 10 0 DEAERO Cc1cncn1C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000408193059 405135748 /nfs/dbraw/zinc/13/57/48/405135748.db2.gz QRSPKJLMUHIEIX-UHFFFAOYSA-N 1 0 311.432 2.279 10 0 DEAERO c1cnn([C@H]2CC[N@@H+](CCOCCOc3ccccc3)C2)c1 ZINC000361590813 405149454 /nfs/dbraw/zinc/14/94/54/405149454.db2.gz KLZYCWKOWQKMSK-INIZCTEOSA-N 1 0 301.390 2.226 10 0 DEAERO C[C@@H](c1nnnn1C1CCCCC1)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000408272634 405159031 /nfs/dbraw/zinc/15/90/31/405159031.db2.gz GYZIRENRERCOEX-IPYPFGDCSA-N 1 0 306.458 2.121 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000189699529 286542115 /nfs/dbraw/zinc/54/21/15/286542115.db2.gz PTYCOQYAJJUFRD-LLVKDONJSA-N 1 0 300.362 2.042 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000408381678 405191953 /nfs/dbraw/zinc/19/19/53/405191953.db2.gz MXSJDABIPYHQCH-LBTNJELSSA-N 1 0 316.445 2.414 10 0 DEAERO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(C)(O)CC1 ZINC000408421876 405203231 /nfs/dbraw/zinc/20/32/31/405203231.db2.gz OBINGAMORRKHHE-HNNXBMFYSA-N 1 0 311.470 2.053 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2cc3nc[nH]c3cc2F)CC[N@@H+]1C ZINC000408464597 405212498 /nfs/dbraw/zinc/21/24/98/405212498.db2.gz FJVKRGHOFAJHNA-GHMZBOCLSA-N 1 0 304.369 2.257 10 0 DEAERO CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCCNc1cc[nH+]cc1 ZINC000439041324 405263703 /nfs/dbraw/zinc/26/37/03/405263703.db2.gz QGXAEWOIAAVKIC-XIRDDKMYSA-N 1 0 319.449 2.406 10 0 DEAERO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000368554487 405244262 /nfs/dbraw/zinc/24/42/62/405244262.db2.gz LQJSMTHCZZXNAV-AWEZNQCLSA-N 1 0 308.426 2.390 10 0 DEAERO CC(=O)c1ccccc1OCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420388364 405341049 /nfs/dbraw/zinc/34/10/49/405341049.db2.gz WUXFJESYXJCLHZ-SFHVURJKSA-N 1 0 302.418 2.344 10 0 DEAERO Cc1ccc2[nH]c(CNC(=O)NCC3([NH+](C)C)CCC3)nc2c1 ZINC000445857261 405358904 /nfs/dbraw/zinc/35/89/04/405358904.db2.gz KNBVQXUAYKFRPZ-UHFFFAOYSA-N 1 0 315.421 2.155 10 0 DEAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(N(C)C)nc1 ZINC000454464160 405348697 /nfs/dbraw/zinc/34/86/97/405348697.db2.gz JQSWOOBFIUCBGV-AWEZNQCLSA-N 1 0 305.426 2.096 10 0 DEAERO C[C@@H](CNC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000455430153 405408977 /nfs/dbraw/zinc/40/89/77/405408977.db2.gz JLGWKBDMLDMQCA-SQWLQELKSA-N 1 0 305.422 2.108 10 0 DEAERO COC(=O)CCN1CCN(C(=O)[C@H]2CCCCC2(C)C)C[C@H]1C ZINC000447546850 405417384 /nfs/dbraw/zinc/41/73/84/405417384.db2.gz ZICBGXHPTFSSHG-HUUCEWRRSA-N 1 0 324.465 2.299 10 0 DEAERO C[C@H]1OCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000429398156 405428690 /nfs/dbraw/zinc/42/86/90/405428690.db2.gz LAYZZFYGIIKZQZ-MWLCHTKSSA-N 1 0 302.827 2.127 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(OC)c(C)c(OC)c2)C1 ZINC000455569535 405429138 /nfs/dbraw/zinc/42/91/38/405429138.db2.gz BMDIQJOMLSCWAA-CYBMUJFWSA-N 1 0 321.421 2.476 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)Cc1cn(C)nc1C)c1ccco1 ZINC000448815017 405451710 /nfs/dbraw/zinc/45/17/10/405451710.db2.gz YZWFAFUXEJTZOU-HNNXBMFYSA-N 1 0 318.421 2.063 10 0 DEAERO Cc1nn(C)cc1CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000448895590 405460571 /nfs/dbraw/zinc/46/05/71/405460571.db2.gz OPBGRWAFFLIBKU-UHFFFAOYSA-N 1 0 300.406 2.014 10 0 DEAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cn(C)nc2C)C1 ZINC000448955844 405472095 /nfs/dbraw/zinc/47/20/95/405472095.db2.gz MZNSUWPMCLABAA-OAHLLOKOSA-N 1 0 320.481 2.288 10 0 DEAERO CO[C@]1(C[NH2+]C[C@H]2CCCCN2Cc2ccccc2)CCOC1 ZINC000638449387 405476812 /nfs/dbraw/zinc/47/68/12/405476812.db2.gz PBXDMFWYMBURNQ-MOPGFXCFSA-N 1 0 318.461 2.436 10 0 DEAERO CCCC[N@H+](C)CC1CCN(C(=O)Cc2cn(C)nc2C)CC1 ZINC000448974863 405481022 /nfs/dbraw/zinc/48/10/22/405481022.db2.gz MRLHGLYKIDKIIW-UHFFFAOYSA-N 1 0 320.481 2.242 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000638587405 405558570 /nfs/dbraw/zinc/55/85/70/405558570.db2.gz DKURJRNFOPTBHC-UHFFFAOYSA-N 1 0 323.195 2.441 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2F)CC12COC2 ZINC000449366725 405527683 /nfs/dbraw/zinc/52/76/83/405527683.db2.gz SFDBVAKJUDYGRI-CQSZACIVSA-N 1 0 307.365 2.146 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](C[C@H](C)c2ccc(F)cc2)CC12COC2 ZINC000449367930 405528831 /nfs/dbraw/zinc/52/88/31/405528831.db2.gz ZYONEIOTPTZQAI-XJKSGUPXSA-N 1 0 321.392 2.441 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](C)c2ccc(F)cc2)CC12COC2 ZINC000449367928 405528945 /nfs/dbraw/zinc/52/89/45/405528945.db2.gz ZYONEIOTPTZQAI-CJNGLKHVSA-N 1 0 321.392 2.441 10 0 DEAERO CCc1noc(C)c1CNC(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000458822114 405610723 /nfs/dbraw/zinc/61/07/23/405610723.db2.gz XBNHYIKDHRTHCG-CYBMUJFWSA-N 1 0 308.426 2.171 10 0 DEAERO CCn1cc(Br)cc1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638648223 405593146 /nfs/dbraw/zinc/59/31/46/405593146.db2.gz LOLIXAJQZSCCRV-MWLCHTKSSA-N 1 0 314.227 2.141 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)c2ccc(Br)cc2F)C[NH2+]1 ZINC000638650141 405593971 /nfs/dbraw/zinc/59/39/71/405593971.db2.gz APRRVKCNEINVJH-PSASIEDQSA-N 1 0 315.186 2.459 10 0 DEAERO C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CCCC(F)(F)C2)CCSC1 ZINC000494422288 405694526 /nfs/dbraw/zinc/69/45/26/405694526.db2.gz BQTVPKOIVMMWOB-WCQYABFASA-N 1 0 321.437 2.301 10 0 DEAERO CC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1O ZINC000636090501 405731345 /nfs/dbraw/zinc/73/13/45/405731345.db2.gz GOABVOMIKMLJHF-HUUCEWRRSA-N 1 0 304.390 2.053 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1 ZINC000528751354 405737414 /nfs/dbraw/zinc/73/74/14/405737414.db2.gz HSIJKWKEPPYQDV-XWKYAYKISA-N 1 0 321.417 2.030 10 0 DEAERO COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2ncccn2)cc1 ZINC000583622081 405778607 /nfs/dbraw/zinc/77/86/07/405778607.db2.gz KJXOGYNHZHNMAZ-AEFFLSMTSA-N 1 0 313.401 2.357 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)Nc1cccc2c1OCCC2 ZINC000560360903 405797272 /nfs/dbraw/zinc/79/72/72/405797272.db2.gz BBHVFRLCENRNNT-UHFFFAOYSA-N 1 0 312.373 2.062 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)Cc1ccc(C)c(C)c1 ZINC000457320456 405798531 /nfs/dbraw/zinc/79/85/31/405798531.db2.gz MPUJBFODWACWRX-QZTJIDSGSA-N 1 0 318.461 2.197 10 0 DEAERO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000495039262 405804319 /nfs/dbraw/zinc/80/43/19/405804319.db2.gz PQRFRJABMUNHDY-RLFYNMQTSA-N 1 0 315.461 2.489 10 0 DEAERO Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000583614751 405774994 /nfs/dbraw/zinc/77/49/94/405774994.db2.gz ZNGTUGHHZFNPQL-ZACQAIPSSA-N 1 0 305.418 2.236 10 0 DEAERO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H](CC(N)=O)C3)n2)cc1 ZINC000530866447 405872254 /nfs/dbraw/zinc/87/22/54/405872254.db2.gz CPUNPGBHSQTHKU-CYBMUJFWSA-N 1 0 314.389 2.132 10 0 DEAERO CCn1nncc1CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459391767 405883551 /nfs/dbraw/zinc/88/35/51/405883551.db2.gz DBGJAISTMRKHPB-NVXWUHKLSA-N 1 0 313.449 2.298 10 0 DEAERO CCOC(=O)[C@H]1CN(c2cc[nH+]c(C)c2Cl)CC12COC2 ZINC000450563263 405956004 /nfs/dbraw/zinc/95/60/04/405956004.db2.gz HHPVGCIKDRIIMW-LLVKDONJSA-N 1 0 310.781 2.059 10 0 DEAERO COc1nsc(C[NH2+][C@](C)(CO)C(C)C)c1Br ZINC000639192882 405960832 /nfs/dbraw/zinc/96/08/32/405960832.db2.gz WMHOHXFQQOAVTJ-LLVKDONJSA-N 1 0 323.256 2.411 10 0 DEAERO Cc1noc(C)c1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561189457 405900349 /nfs/dbraw/zinc/90/03/49/405900349.db2.gz CLGORHBCCBVWNH-MRXNPFEDSA-N 1 0 313.401 2.430 10 0 DEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000423689281 405910804 /nfs/dbraw/zinc/91/08/04/405910804.db2.gz XNHGDRMMESYQBL-ZWNOBZJWSA-N 1 0 323.234 2.429 10 0 DEAERO O=C(N[C@@H]1CCCC(F)(F)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000531772283 406004391 /nfs/dbraw/zinc/00/43/91/406004391.db2.gz CGFUPXPRTXAFCK-OLZOCXBDSA-N 1 0 301.381 2.444 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cccc2c1CCOC2 ZINC000634315591 406094904 /nfs/dbraw/zinc/09/49/04/406094904.db2.gz OQTOTPQUJLCGEK-OKILXGFUSA-N 1 0 302.418 2.248 10 0 DEAERO CN1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccns2)C1 ZINC000639326081 406046787 /nfs/dbraw/zinc/04/67/87/406046787.db2.gz DCEVZNQDNSEMHG-MRXNPFEDSA-N 1 0 316.474 2.049 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)ccn1 ZINC000639353917 406062770 /nfs/dbraw/zinc/06/27/70/406062770.db2.gz BLCDJKYZJYRICV-AKHDSKFASA-N 1 0 315.461 2.308 10 0 DEAERO C[C@@H]1C[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471668752 406107596 /nfs/dbraw/zinc/10/75/96/406107596.db2.gz LYJQIACMXRWRLK-DJIMGWMZSA-N 1 0 301.434 2.464 10 0 DEAERO CC[N@H+](CC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000533090041 406119448 /nfs/dbraw/zinc/11/94/48/406119448.db2.gz NNVFLEWCZZRJQB-CQSZACIVSA-N 1 0 324.465 2.441 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1c[nH]c2ncccc12 ZINC000533100710 406121671 /nfs/dbraw/zinc/12/16/71/406121671.db2.gz OXHLCPIAHGZDCP-HNNXBMFYSA-N 1 0 300.406 2.096 10 0 DEAERO CO[C@@H]1CC[C@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000471825252 406122639 /nfs/dbraw/zinc/12/26/39/406122639.db2.gz KBTSHBUQXKWRIJ-GVDBMIGSSA-N 1 0 319.449 2.026 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc([C@@H]2CCCO2)no1 ZINC000634557670 406171380 /nfs/dbraw/zinc/17/13/80/406171380.db2.gz DJYHJGHQMRNAOX-KBPBESRZSA-N 1 0 302.378 2.053 10 0 DEAERO C[C@H]1CCC[N@H+](CCNCc2c(Br)cnn2C)C1 ZINC000486972442 406194539 /nfs/dbraw/zinc/19/45/39/406194539.db2.gz PMRAFNUSKFTMEN-NSHDSACASA-N 1 0 315.259 2.004 10 0 DEAERO CO[C@H](C)[C@@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000519493500 406200711 /nfs/dbraw/zinc/20/07/11/406200711.db2.gz AVCVYJADBPCUBZ-HGTKMLMNSA-N 1 0 309.454 2.068 10 0 DEAERO c1cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c2c(c1)COCC2 ZINC000639693429 406208282 /nfs/dbraw/zinc/20/82/82/406208282.db2.gz OHYFCFXKUQDWBM-KRWDZBQOSA-N 1 0 305.443 2.467 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000487277596 406221093 /nfs/dbraw/zinc/22/10/93/406221093.db2.gz LRYJGMGXRGOUGB-JTQLQIEISA-N 1 0 314.227 2.374 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNCc1c(Br)cnn1C ZINC000487280701 406221235 /nfs/dbraw/zinc/22/12/35/406221235.db2.gz RTPBGUPMTKCJAG-LLVKDONJSA-N 1 0 315.259 2.147 10 0 DEAERO COC[C@@H](O)C[NH2+][C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000634725299 406248627 /nfs/dbraw/zinc/24/86/27/406248627.db2.gz NLZOCWQIVLASFW-ROUUACIJSA-N 1 0 306.450 2.028 10 0 DEAERO CC(=O)c1ccc(CC(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000632861730 406295407 /nfs/dbraw/zinc/29/54/07/406295407.db2.gz UNEZZGBSRLKFTL-IRXDYDNUSA-N 1 0 300.402 2.032 10 0 DEAERO O=C(c1ccc(Br)o1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632854496 406292644 /nfs/dbraw/zinc/29/26/44/406292644.db2.gz HHCTWFAXHHMFOS-NXEZZACHSA-N 1 0 313.195 2.256 10 0 DEAERO CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C)c1ccccc1 ZINC000488720232 406341044 /nfs/dbraw/zinc/34/10/44/406341044.db2.gz PIKQHUOGBXDDCS-HFTRVMKXSA-N 1 0 304.434 2.203 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)Nc1cc(C)cc(OC)c1C ZINC000489693256 406425805 /nfs/dbraw/zinc/42/58/05/406425805.db2.gz XLGWOKIYZIUBOJ-UHFFFAOYSA-N 1 0 323.437 2.402 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000488978837 406366180 /nfs/dbraw/zinc/36/61/80/406366180.db2.gz KCEPTBCGINOCNF-GXTWGEPZSA-N 1 0 308.353 2.016 10 0 DEAERO COc1ccc(Cl)cc1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634956649 406370865 /nfs/dbraw/zinc/37/08/65/406370865.db2.gz OGPRJOICRMUTPZ-ZDUSSCGKSA-N 1 0 317.838 2.406 10 0 DEAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634965997 406376534 /nfs/dbraw/zinc/37/65/34/406376534.db2.gz YYNXAJJDAQXWNB-GOEBONIOSA-N 1 0 311.447 2.149 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000634969440 406379156 /nfs/dbraw/zinc/37/91/56/406379156.db2.gz NYZFLELIPBNNST-KBPBESRZSA-N 1 0 301.452 2.035 10 0 DEAERO CC[C@@H]1CCCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000637935769 406484750 /nfs/dbraw/zinc/48/47/50/406484750.db2.gz UVNRTTDTKVLZRU-NVXWUHKLSA-N 1 0 303.450 2.094 10 0 DEAERO C[C@@H]1CCCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000637957179 406495366 /nfs/dbraw/zinc/49/53/66/406495366.db2.gz DKPDPDWLZIXCNE-WBVHZDCISA-N 1 0 303.450 2.094 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637881947 406460364 /nfs/dbraw/zinc/46/03/64/406460364.db2.gz POVNIYKXQPFJOD-CQSZACIVSA-N 1 0 317.216 2.330 10 0 DEAERO CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638032768 406533604 /nfs/dbraw/zinc/53/36/04/406533604.db2.gz APJPZPUZDLQUMG-IXDOHACOSA-N 1 0 303.450 2.141 10 0 DEAERO Cc1ccc(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC000638072976 406556351 /nfs/dbraw/zinc/55/63/51/406556351.db2.gz ASLXTLKEPTZHFZ-MRXNPFEDSA-N 1 0 312.417 2.096 10 0 DEAERO CC(=O)N(C)C1CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000637977272 406504731 /nfs/dbraw/zinc/50/47/31/406504731.db2.gz NLEQZOHCGXUXPV-KRWDZBQOSA-N 1 0 315.461 2.456 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC1(C)CCCC1 ZINC000637990475 406512674 /nfs/dbraw/zinc/51/26/74/406512674.db2.gz XOGPEMQCAPQJPX-INIZCTEOSA-N 1 0 303.450 2.142 10 0 DEAERO Cc1ccncc1C[NH2+][C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000527223050 406598174 /nfs/dbraw/zinc/59/81/74/406598174.db2.gz LXYURPBXWAGZRJ-HXUWFJFHSA-N 1 0 324.472 2.468 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000527247602 406603619 /nfs/dbraw/zinc/60/36/19/406603619.db2.gz FUEDHCXPDOYBOD-MCIONIFRSA-N 1 0 318.465 2.237 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000527247601 406604400 /nfs/dbraw/zinc/60/44/00/406604400.db2.gz FUEDHCXPDOYBOD-BFHYXJOUSA-N 1 0 318.465 2.237 10 0 DEAERO c1cc(C[NH+]2CCC(Cn3ccnn3)CC2)n(CC2CCC2)n1 ZINC000638183443 406610870 /nfs/dbraw/zinc/61/08/70/406610870.db2.gz VEIPFTBVSLCLTL-UHFFFAOYSA-N 1 0 314.437 2.187 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H]2CCCO2)c1Br ZINC000638295272 406678423 /nfs/dbraw/zinc/67/84/23/406678423.db2.gz VPIATYLJFSWYEX-ZETCQYMHSA-N 1 0 307.213 2.183 10 0 DEAERO c1c[nH]c(-c2noc(C3CC[NH+]([C@H]4CCSC4)CC3)n2)n1 ZINC000572542116 406689415 /nfs/dbraw/zinc/68/94/15/406689415.db2.gz TZZUMQJNYNVVBU-NSHDSACASA-N 1 0 305.407 2.145 10 0 DEAERO c1ccc([C@H](C[NH2+]CCC[C@H]2CCO2)N2CCOCC2)cc1 ZINC000638328332 406702289 /nfs/dbraw/zinc/70/22/89/406702289.db2.gz IFYGKOXCNGUEGF-ROUUACIJSA-N 1 0 304.434 2.219 10 0 DEAERO Cc1occc1CN(C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638382466 406738323 /nfs/dbraw/zinc/73/83/23/406738323.db2.gz WTKBLFUJJQKCRK-KRWDZBQOSA-N 1 0 315.417 2.006 10 0 DEAERO Cc1[nH+]ccc(NCc2cccc(N3CCOCC3)n2)c1Cl ZINC000572791740 406739253 /nfs/dbraw/zinc/73/92/53/406739253.db2.gz PLPBKLUGMHKHBH-UHFFFAOYSA-N 1 0 318.808 2.309 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCCC23CCOCC3)CC1 ZINC000554525473 406807093 /nfs/dbraw/zinc/80/70/93/406807093.db2.gz GKPUQUMGZFCTNO-MRXNPFEDSA-N 1 0 321.465 2.287 10 0 DEAERO Cc1cc(F)cc2c1C[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)CC2 ZINC000554563417 406812145 /nfs/dbraw/zinc/81/21/45/406812145.db2.gz ODQKHFNWWHVHQI-SJORKVTESA-N 1 0 323.408 2.049 10 0 DEAERO COCCN(CCc1ccccc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261817641 292494597 /nfs/dbraw/zinc/49/45/97/292494597.db2.gz SILROLQYTNHUQO-IAGOWNOFSA-N 1 0 304.434 2.079 10 0 DEAERO C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000176263070 287147992 /nfs/dbraw/zinc/14/79/92/287147992.db2.gz QUMLPSTWJKLTAP-KBXCAEBGSA-N 1 0 304.434 2.094 10 0 DEAERO CCN(C[C@H](C)C[NH3+])c1nccn2nc(C(F)(F)F)cc12 ZINC000128938495 196005571 /nfs/dbraw/zinc/00/55/71/196005571.db2.gz ZXFGUBRQINUJMO-SECBINFHSA-N 1 0 301.316 2.169 10 0 DEAERO O=C(c1cc(Cl)ncc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129157138 196024570 /nfs/dbraw/zinc/02/45/70/196024570.db2.gz XHJHZWULMAMSOX-SECBINFHSA-N 1 0 300.189 2.309 10 0 DEAERO C[C@@H](CS(=O)(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000129240407 196032404 /nfs/dbraw/zinc/03/24/04/196032404.db2.gz WRAUMFZESSWLOK-AWEZNQCLSA-N 1 0 310.463 2.099 10 0 DEAERO NC1=[NH+]C[C@H]([C@H]2CCCO2)N1c1ccccc1Br ZINC000129271627 196035016 /nfs/dbraw/zinc/03/50/16/196035016.db2.gz VHEGOWKWUCGLRW-VXGBXAGGSA-N 1 0 310.195 2.131 10 0 DEAERO C[C@H]1CN(C(=O)c2cc(Cl)ncc2Cl)C[C@@H]1[NH+](C)C ZINC000129378685 196042849 /nfs/dbraw/zinc/04/28/49/196042849.db2.gz XLVVCUGUMJRJCE-KWQFWETISA-N 1 0 302.205 2.411 10 0 DEAERO C[NH2+]C[C@H](C)CNC(=O)c1cc(Br)cn1C1CC1 ZINC000129403807 196046102 /nfs/dbraw/zinc/04/61/02/196046102.db2.gz ADGSLDQSWZCTND-VIFPVBQESA-N 1 0 314.227 2.171 10 0 DEAERO C[N@H+](CC[C@@H]1COCCN1)Cc1cc(Br)cs1 ZINC000129418857 196046806 /nfs/dbraw/zinc/04/68/06/196046806.db2.gz SGQDWYJCXAHSLP-LLVKDONJSA-N 1 0 319.268 2.321 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)Nc1ncc(Br)cc1C ZINC000129579144 196058635 /nfs/dbraw/zinc/05/86/35/196058635.db2.gz ZUHFYBMLWCSTDN-SECBINFHSA-N 1 0 300.200 2.466 10 0 DEAERO CCNc1ncc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)s1 ZINC000129650731 196064958 /nfs/dbraw/zinc/06/49/58/196064958.db2.gz FTYRLEPBVJZVRY-NWDGAFQWSA-N 1 0 308.451 2.274 10 0 DEAERO [NH3+]CCCNCc1ncc(Br)cc1Br ZINC000129832696 196078930 /nfs/dbraw/zinc/07/89/30/196078930.db2.gz MNBXESHXUVEKSM-UHFFFAOYSA-N 1 0 323.032 2.045 10 0 DEAERO CC[C@@H]1N[C@H](c2ccsc2)N(C[C@@H](C)[NH+]2CCCC2)C1=O ZINC000130800326 196111095 /nfs/dbraw/zinc/11/10/95/196111095.db2.gz NHQUMDKQSNVADT-SNPRPXQTSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)NCCCC(F)(F)F)c1 ZINC000130866198 196116990 /nfs/dbraw/zinc/11/69/90/196116990.db2.gz CQYRJPUENXKAEW-SECBINFHSA-N 1 0 310.341 2.327 10 0 DEAERO Cc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(Cl)cc1F ZINC000130880723 196119782 /nfs/dbraw/zinc/11/97/82/196119782.db2.gz WOMGMWBSNNCKEZ-NSHDSACASA-N 1 0 314.788 2.190 10 0 DEAERO Cc1nc(-c2cncc(Br)c2)nc2c1C[NH2+]CC2 ZINC000130912733 196121660 /nfs/dbraw/zinc/12/16/60/196121660.db2.gz YTPJAVUYEKPGGN-UHFFFAOYSA-N 1 0 305.179 2.255 10 0 DEAERO CS(=O)(=O)Nc1ccc(NC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000130958949 196126986 /nfs/dbraw/zinc/12/69/86/196126986.db2.gz BVPSOUILCVDEOP-SNVBAGLBSA-N 1 0 317.842 2.123 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2nc(C)ns2)C1 ZINC000131088504 196139009 /nfs/dbraw/zinc/13/90/09/196139009.db2.gz PJYWKRRLXNKGLY-MFKMUULPSA-N 1 0 314.480 2.105 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)c1ccc2c(c1)CCO2 ZINC000131126502 196141471 /nfs/dbraw/zinc/14/14/71/196141471.db2.gz QAGIQUZWPIXUOQ-HNNXBMFYSA-N 1 0 311.447 2.487 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)Nc1nc(N)ncc1Br ZINC000131178372 196147408 /nfs/dbraw/zinc/14/74/08/196147408.db2.gz UXIRWXXJJJDHSD-SECBINFHSA-N 1 0 316.247 2.210 10 0 DEAERO C[N@H+](CC(=O)Nc1ccc(N)cc1Cl)[C@H]1CCCC[C@@H]1O ZINC000131264228 196155102 /nfs/dbraw/zinc/15/51/02/196155102.db2.gz KLLWOXYACWGRFZ-KBPBESRZSA-N 1 0 311.813 2.096 10 0 DEAERO O[C@@H](C[NH2+][C@@H]1CCOC1)COc1c(Cl)cccc1Cl ZINC000131466938 196171609 /nfs/dbraw/zinc/17/16/09/196171609.db2.gz FVNCWMJHFAKWAX-ZJUUUORDSA-N 1 0 306.189 2.112 10 0 DEAERO CCNc1nc(Cl)nc(N[C@@H](CC(C)C)C[NH+](C)C)n1 ZINC000131582771 196181757 /nfs/dbraw/zinc/18/17/57/196181757.db2.gz OOBKLPPXVUPVJK-JTQLQIEISA-N 1 0 300.838 2.345 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(OCC(=O)NCC(F)(F)F)c(F)c1 ZINC000131593455 196182574 /nfs/dbraw/zinc/18/25/74/196182574.db2.gz OQEDRCDVZWIPDY-QMMMGPOBSA-N 1 0 308.275 2.163 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1Br ZINC000131637320 196185935 /nfs/dbraw/zinc/18/59/35/196185935.db2.gz JFQBHFBYNGAKCF-IONNQARKSA-N 1 0 319.586 2.015 10 0 DEAERO [NH3+]C[C@H]1CCCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000131717302 196193286 /nfs/dbraw/zinc/19/32/86/196193286.db2.gz VLNRTEKXCHFGJH-BUUCAEBMSA-N 1 0 300.811 2.064 10 0 DEAERO CC[C@H](C)[C@@H](O)c1c(Br)cnn1CC[NH+](C)C ZINC000132029743 196220836 /nfs/dbraw/zinc/22/08/36/196220836.db2.gz LBBWFHATFRCFCG-JOYOIKCWSA-N 1 0 304.232 2.287 10 0 DEAERO C[C@@H]([NH2+]CCNC(=O)N(C)C)c1cccc(Br)c1 ZINC000132092362 196225928 /nfs/dbraw/zinc/22/59/28/196225928.db2.gz RGRDISGQZHPUIS-SNVBAGLBSA-N 1 0 314.227 2.371 10 0 DEAERO C[C@H]([NH2+]CCNC(=O)N(C)C)c1ccc(Br)s1 ZINC000132350352 196247756 /nfs/dbraw/zinc/24/77/56/196247756.db2.gz LPSPIKMRSHWKKN-QMMMGPOBSA-N 1 0 320.256 2.432 10 0 DEAERO CS(=O)(=O)CC[C@H]([NH3+])c1csc(-c2cccs2)n1 ZINC000132384625 196250692 /nfs/dbraw/zinc/25/06/92/196250692.db2.gz NWBWKPLPPMDTHT-QMMMGPOBSA-N 1 0 302.446 2.306 10 0 DEAERO CC[NH2+]Cc1nnnn1-c1cc(Cl)ccc1Br ZINC000132216766 196236424 /nfs/dbraw/zinc/23/64/24/196236424.db2.gz IDQYHPSYIOAUMO-UHFFFAOYSA-N 1 0 316.590 2.188 10 0 DEAERO CCOC(C)(C)[C@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000132231198 196236941 /nfs/dbraw/zinc/23/69/41/196236941.db2.gz ZNCHFYACXSGTDP-SNVBAGLBSA-N 1 0 304.232 2.176 10 0 DEAERO NC(=O)NCC[NH2+][C@@H]1CCCc2sc(Br)cc21 ZINC000132537255 196263041 /nfs/dbraw/zinc/26/30/41/196263041.db2.gz XCXUHYSPHPQEEE-MRVPVSSYSA-N 1 0 318.240 2.146 10 0 DEAERO NC(=O)NCC[NH2+][C@H]1CCCc2sc(Br)cc21 ZINC000132537030 196263887 /nfs/dbraw/zinc/26/38/87/196263887.db2.gz XCXUHYSPHPQEEE-QMMMGPOBSA-N 1 0 318.240 2.146 10 0 DEAERO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1ccccc1C(C)C ZINC000132594277 196269333 /nfs/dbraw/zinc/26/93/33/196269333.db2.gz GXWZHDRGAADTQR-KRWDZBQOSA-N 1 0 308.422 2.126 10 0 DEAERO CC[C@@H](CSC)[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000132603836 196269982 /nfs/dbraw/zinc/26/99/82/196269982.db2.gz ICLHNESHDGPIMP-NSHDSACASA-N 1 0 310.419 2.128 10 0 DEAERO CCn1ncc(Br)c1[C@@]1(O)CC[N@@H+]2CCC[C@@H]2C1 ZINC000132986740 196302163 /nfs/dbraw/zinc/30/21/63/196302163.db2.gz ZVFSGUFUPZCABF-ZWNOBZJWSA-N 1 0 314.227 2.111 10 0 DEAERO COc1ccc(Br)c(C[C@H](O)[C@H]2CCC[NH2+]C2)c1 ZINC000133047222 196307545 /nfs/dbraw/zinc/30/75/45/196307545.db2.gz HIBGCLSQZZDMAM-HZMBPMFUSA-N 1 0 314.223 2.361 10 0 DEAERO O[C@H](Cc1cc(F)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000133096644 196311394 /nfs/dbraw/zinc/31/13/94/196311394.db2.gz PAINCIJAKHIJAP-NOZJJQNGSA-N 1 0 302.187 2.491 10 0 DEAERO CC[NH2+][C@@H](Cc1cc(C)ccc1OC)C(C)(C)S(C)(=O)=O ZINC000133171688 196317792 /nfs/dbraw/zinc/31/77/92/196317792.db2.gz ILBCVWVMFHVDDQ-HNNXBMFYSA-N 1 0 313.463 2.347 10 0 DEAERO CCC([NH3+])(CC)CNc1nc(C(F)(F)F)ccc1C(N)=O ZINC000133503159 196329883 /nfs/dbraw/zinc/32/98/83/196329883.db2.gz HCZNDBJRZOCSBR-UHFFFAOYSA-N 1 0 304.316 2.129 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@@H]1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000133729742 196332566 /nfs/dbraw/zinc/33/25/66/196332566.db2.gz FVKGHEJPEBYPIJ-SCZZXKLOSA-N 1 0 302.205 2.458 10 0 DEAERO CN(CCC[NH3+])C(=O)c1cc(Br)cn1C1CC1 ZINC000133756966 196334712 /nfs/dbraw/zinc/33/47/12/196334712.db2.gz YQOFZCJYUVYPSO-UHFFFAOYSA-N 1 0 300.200 2.006 10 0 DEAERO C[C@@](C[NH3+])(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000133760307 196334794 /nfs/dbraw/zinc/33/47/94/196334794.db2.gz SKESLGOYVGSVPF-LBPRGKRZSA-N 1 0 322.352 2.111 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc(Br)c1O ZINC000133811979 196337419 /nfs/dbraw/zinc/33/74/19/196337419.db2.gz VLXMDUPAWNTSTG-QMMMGPOBSA-N 1 0 301.184 2.339 10 0 DEAERO O=C(Nc1cccc(Br)c1O)[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000133856388 196340522 /nfs/dbraw/zinc/34/05/22/196340522.db2.gz HUFXZIUTOYKSCU-MRTMQBJTSA-N 1 0 311.179 2.234 10 0 DEAERO COc1ccccc1C1CC([NH2+]C[C@H]2CCCS2(=O)=O)C1 ZINC000133872497 196342236 /nfs/dbraw/zinc/34/22/36/196342236.db2.gz CGGZMQLONRBCKK-JXQTWKCFSA-N 1 0 309.431 2.108 10 0 DEAERO COCc1nnc2sc([C@@H]3CC[C@H]4CCCC[C@@H]4[NH2+]3)nn12 ZINC000133942469 196348082 /nfs/dbraw/zinc/34/80/82/196348082.db2.gz VVFQKYBQAQXQHF-VWYCJHECSA-N 1 0 307.423 2.316 10 0 DEAERO COc1cc([C@@H](O)[C@H]2CCC[NH2+]2)c(OC)cc1Br ZINC000134271429 196375657 /nfs/dbraw/zinc/37/56/57/196375657.db2.gz SHGKFYZEPIAAHM-ZWNOBZJWSA-N 1 0 316.195 2.252 10 0 DEAERO COc1cc([C@@H](O)[C@@H]2CCC[NH2+]2)c(OC)cc1Br ZINC000134271395 196375840 /nfs/dbraw/zinc/37/58/40/196375840.db2.gz SHGKFYZEPIAAHM-GXFFZTMASA-N 1 0 316.195 2.252 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH3+])C[C@H](C)OC ZINC000134451413 196392621 /nfs/dbraw/zinc/39/26/21/196392621.db2.gz MQZSYPMYMQHZMX-WCBMZHEXSA-N 1 0 304.232 2.269 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189635208 225057705 /nfs/dbraw/zinc/05/77/05/225057705.db2.gz WYZRUVCZORUJSR-AWEZNQCLSA-N 1 0 320.433 2.314 10 0 DEAERO Cc1nnc([C@@H](C)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000195293658 225202414 /nfs/dbraw/zinc/20/24/14/225202414.db2.gz FRKJWCGKMQHDQG-CZUORRHYSA-N 1 0 315.421 2.288 10 0 DEAERO Cc1cc(C)c(OCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000195309359 225202558 /nfs/dbraw/zinc/20/25/58/225202558.db2.gz HGIKPJYBXAYJJJ-INIZCTEOSA-N 1 0 302.418 2.297 10 0 DEAERO c1ccc2nc(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422704066 230169440 /nfs/dbraw/zinc/16/94/40/230169440.db2.gz OMEXSUNKYDCSRY-BHIYHBOVSA-N 1 0 311.429 2.482 10 0 DEAERO Cc1nnc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc1C ZINC000359574191 424830258 /nfs/dbraw/zinc/83/02/58/424830258.db2.gz HHUULAZFYUSIDE-ZFWWWQNUSA-N 1 0 317.462 3.045 10 0 DEAERO Cc1cccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917528 424808481 /nfs/dbraw/zinc/80/84/81/424808481.db2.gz ZBJONLVIMAGEHZ-ZBFHGGJFSA-N 1 0 308.447 2.148 10 0 DEAERO CCCN(CCC)C(=O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875870 424849255 /nfs/dbraw/zinc/84/92/55/424849255.db2.gz BXCLCGDXQCHSOM-UHFFFAOYSA-N 1 0 320.481 2.323 10 0 DEAERO CCn1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000192766611 424865709 /nfs/dbraw/zinc/86/57/09/424865709.db2.gz HYUVSSQAJNUEKY-OAHLLOKOSA-N 1 0 301.394 2.327 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2cc(Cl)ccc2OC)C1 ZINC000194641844 424878042 /nfs/dbraw/zinc/87/80/42/424878042.db2.gz ZMNVEWZKOODROQ-AWEZNQCLSA-N 1 0 310.825 2.492 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CN(Cc2csc(Br)c2)CCO1 ZINC000133323084 424858977 /nfs/dbraw/zinc/85/89/77/424858977.db2.gz RRYQCXUGTGMFCK-WPRPVWTQSA-N 1 0 305.241 2.059 10 0 DEAERO CCn1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000192766593 424865014 /nfs/dbraw/zinc/86/50/14/424865014.db2.gz HYUVSSQAJNUEKY-HNNXBMFYSA-N 1 0 301.394 2.327 10 0 DEAERO CC(C)COC[C@@H](O)C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389960819 424916594 /nfs/dbraw/zinc/91/65/94/424916594.db2.gz IDVXQEPWSDNXIJ-SFHVURJKSA-N 1 0 317.433 2.055 10 0 DEAERO Cc1ccc(C[NH2+]CC[C@]2(O)CCOC2)c(Br)c1 ZINC000404212358 424925861 /nfs/dbraw/zinc/92/58/61/424925861.db2.gz QTUAUABOWTYBNW-AWEZNQCLSA-N 1 0 314.223 2.389 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2ccc(Br)c(F)c2)CCOC1 ZINC000404208131 424926208 /nfs/dbraw/zinc/92/62/08/424926208.db2.gz OHBWZAASKFDHBV-ZDUSSCGKSA-N 1 0 318.186 2.219 10 0 DEAERO C[C@@]1(CNC(=O)c2nscc2Br)CCC[NH2+]C1 ZINC000404779633 424928658 /nfs/dbraw/zinc/92/86/58/424928658.db2.gz MSTRNQHYLDNHCX-LLVKDONJSA-N 1 0 318.240 2.025 10 0 DEAERO C[C@H]([NH3+])C1CCN(C(=O)c2nscc2Br)CC1 ZINC000404780884 424929391 /nfs/dbraw/zinc/92/93/91/424929391.db2.gz NDMUXGGAOMNJAX-ZETCQYMHSA-N 1 0 318.240 2.105 10 0 DEAERO O[C@@H]1C[C@H]2CN(Cc3ccc(Cl)cc3Cl)CC[N@@H+]2C1 ZINC000405301959 424930906 /nfs/dbraw/zinc/93/09/06/424930906.db2.gz IZFKKQOZZGXWFX-QWHCGFSZSA-N 1 0 301.217 2.244 10 0 DEAERO c1nc2c(c(NCC3CC[NH+](C4CC4)CC3)n1)CCCCC2 ZINC000444871411 425049380 /nfs/dbraw/zinc/04/93/80/425049380.db2.gz HHRWFTNPDLWBMZ-UHFFFAOYSA-N 1 0 300.450 3.032 10 0 DEAERO C[C@H](CC(=O)N1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000041546749 267366546 /nfs/dbraw/zinc/36/65/46/267366546.db2.gz DTLNEVDKEZNJKF-LLVKDONJSA-N 1 0 311.223 2.375 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccccc2F)[C@H](C)C1 ZINC000081096637 267378805 /nfs/dbraw/zinc/37/88/05/267378805.db2.gz NWTUEODVQXLOIN-PBHICJAKSA-N 1 0 321.440 2.104 10 0 DEAERO O=C(Nc1ccc(F)c(Br)c1F)[C@H]1CC[NH2+]C1 ZINC000659380549 425590007 /nfs/dbraw/zinc/59/00/07/425590007.db2.gz CHUTYEUSCOMZDC-LURJTMIESA-N 1 0 305.122 2.275 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@H]1OC ZINC000333128743 268889034 /nfs/dbraw/zinc/88/90/34/268889034.db2.gz BKSRSVZGGGJQBW-HUUCEWRRSA-N 1 0 323.481 2.365 10 0 DEAERO C[C@H](C1CC1)n1nccc1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333261263 268915377 /nfs/dbraw/zinc/91/53/77/268915377.db2.gz DYGLDEFAURNWPT-CYBMUJFWSA-N 1 0 317.437 2.462 10 0 DEAERO COc1nccc2cc(NC(=O)N3CC[NH2+]C[C@@H]3C)ccc21 ZINC000333409889 268941331 /nfs/dbraw/zinc/94/13/31/268941331.db2.gz ZSHBGFJZPPUARZ-NSHDSACASA-N 1 0 300.362 2.069 10 0 DEAERO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333448089 268948345 /nfs/dbraw/zinc/94/83/45/268948345.db2.gz XDIMBBHGUOTQHD-HOTGVXAUSA-N 1 0 323.481 2.223 10 0 DEAERO C[C@@H]1C[C@@H](CNC(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000333593902 268958778 /nfs/dbraw/zinc/95/87/78/268958778.db2.gz OSRYPCBXFVGIPV-MIFYACCESA-N 1 0 323.481 2.364 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000333692394 268978440 /nfs/dbraw/zinc/97/84/40/268978440.db2.gz CQIODYDHCBASCB-BJKJVOPESA-N 1 0 321.396 2.177 10 0 DEAERO CC(C)(C)[C@@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000333898978 269001901 /nfs/dbraw/zinc/00/19/01/269001901.db2.gz ZMZLXVCEGPLDOY-KBPBESRZSA-N 1 0 309.454 2.118 10 0 DEAERO Cc1cc(C)n(Cc2nc(CC34CCC[NH+]3CCC4)no2)n1 ZINC000333898503 269002171 /nfs/dbraw/zinc/00/21/71/269002171.db2.gz YSCTZIFLCQZGPP-UHFFFAOYSA-N 1 0 301.394 2.102 10 0 DEAERO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccn1 ZINC000363392244 269055994 /nfs/dbraw/zinc/05/59/94/269055994.db2.gz FJBBPGVXXBZAIW-KBPBESRZSA-N 1 0 302.422 2.459 10 0 DEAERO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000397574321 269106692 /nfs/dbraw/zinc/10/66/92/269106692.db2.gz BHWNQVSOAJLEDW-UHFFFAOYSA-N 1 0 316.445 2.320 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000430239590 269127626 /nfs/dbraw/zinc/12/76/26/269127626.db2.gz NVAXLOGPBXSGNC-AEFFLSMTSA-N 1 0 312.417 2.327 10 0 DEAERO Cc1noc(CN2CC[NH+](C[C@@H]3C(C)=CCC[C@@H]3C)CC2)n1 ZINC000443404523 269137085 /nfs/dbraw/zinc/13/70/85/269137085.db2.gz GHBGWMOTDOPZDY-GOEBONIOSA-N 1 0 304.438 2.488 10 0 DEAERO c1nc2cc(C[NH2+][C@@H]3CCCN(c4ncccn4)C3)ccc2[nH]1 ZINC000517542047 269387188 /nfs/dbraw/zinc/38/71/88/269387188.db2.gz KPLQPIVWEJEJJU-CQSZACIVSA-N 1 0 308.389 2.112 10 0 DEAERO CC(C)[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)C(F)(F)F ZINC000526068184 269502736 /nfs/dbraw/zinc/50/27/36/269502736.db2.gz WMHZMXWJWXCDHM-RYUDHWBXSA-N 1 0 307.360 2.453 10 0 DEAERO Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)sc2C)s1 ZINC000262549667 274732674 /nfs/dbraw/zinc/73/26/74/274732674.db2.gz ONFVMUCZALKRQG-NXEZZACHSA-N 1 0 323.443 2.150 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)c1ccc(Cl)cn1 ZINC000261722295 274945668 /nfs/dbraw/zinc/94/56/68/274945668.db2.gz LPOQGIOUCOSKOJ-UHFFFAOYSA-N 1 0 303.793 2.379 10 0 DEAERO O=c1[nH]c(CN2CC[N@@H+]3CCC[C@H]3C2)nc2ccc(Cl)cc12 ZINC000253554655 275061824 /nfs/dbraw/zinc/06/18/24/275061824.db2.gz PJMZCTIKAZYSCY-LBPRGKRZSA-N 1 0 318.808 2.269 10 0 DEAERO CC1(C)C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c2ccc(F)cc2O1 ZINC000261949002 275858370 /nfs/dbraw/zinc/85/83/70/275858370.db2.gz JXGBDKIHNNYEKD-BNOWGMLFSA-N 1 0 322.380 2.050 10 0 DEAERO CCC[C@H](CC)NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000180437196 276041534 /nfs/dbraw/zinc/04/15/34/276041534.db2.gz QDQSZLWAFPCUDZ-DLBZAZTESA-N 1 0 324.513 2.377 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000069411280 276177759 /nfs/dbraw/zinc/17/77/59/276177759.db2.gz ZLNAGHSJMKSKKR-DZGCQCFKSA-N 1 0 321.396 2.433 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000246418240 276184922 /nfs/dbraw/zinc/18/49/22/276184922.db2.gz SIWJAESCNSNILD-KBPBESRZSA-N 1 0 305.426 2.131 10 0 DEAERO CC[NH+]1CCN([C@H]2CCN(Cc3cnc(Cl)s3)C2)CC1 ZINC000130564577 276201199 /nfs/dbraw/zinc/20/11/99/276201199.db2.gz BMDJFAGFIAMGMD-LBPRGKRZSA-N 1 0 314.886 2.008 10 0 DEAERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC12COC2 ZINC000451137801 276289148 /nfs/dbraw/zinc/28/91/48/276289148.db2.gz PNVCFBRZUUPKMW-JKSUJKDBSA-N 1 0 319.376 2.325 10 0 DEAERO C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000353089469 276824371 /nfs/dbraw/zinc/82/43/71/276824371.db2.gz MRRSPJSEVINTPA-MLRPBERTSA-N 1 0 322.474 2.494 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000279346729 276948062 /nfs/dbraw/zinc/94/80/62/276948062.db2.gz STEAFLJXPDIAQA-MRXNPFEDSA-N 1 0 317.433 2.226 10 0 DEAERO CC(=O)Nc1ccc(F)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123257584 277076311 /nfs/dbraw/zinc/07/63/11/277076311.db2.gz JLJPNLOBWWPCSJ-RISCZKNCSA-N 1 0 321.396 2.339 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)C[C@@](C)(O)C2CC2)[C@@H]1c1ccccc1 ZINC000270399067 277165191 /nfs/dbraw/zinc/16/51/91/277165191.db2.gz CFFKAODSTQHPEO-RYQLBKOJSA-N 1 0 302.418 2.099 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(C)CCCO2)[C@@H]1c1ccccc1 ZINC000245641794 277166971 /nfs/dbraw/zinc/16/69/71/277166971.db2.gz KQCIQNMRZFBJSF-XYJFISCASA-N 1 0 317.433 2.300 10 0 DEAERO C[N@H+]1C[C@H]2CN(Cc3nnc(-c4ccc(Cl)cc4)o3)C[C@H]2C1 ZINC000193620780 277198426 /nfs/dbraw/zinc/19/84/26/277198426.db2.gz DOMSKKMMEKVTPQ-BETUJISGSA-N 1 0 318.808 2.383 10 0 DEAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000246660339 278109016 /nfs/dbraw/zinc/10/90/16/278109016.db2.gz GRTSPARGCTUILT-KEYYUXOJSA-N 1 0 302.418 2.494 10 0 DEAERO CSCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245700911 278129264 /nfs/dbraw/zinc/12/92/64/278129264.db2.gz ZGELMEPQRZBYCJ-LSDHHAIUSA-N 1 0 307.463 2.484 10 0 DEAERO C[C@@H](C[NH+](C)C)n1c2ccccc2nc1CCN1CCOCC1 ZINC000002016514 278240493 /nfs/dbraw/zinc/24/04/93/278240493.db2.gz OBDRWUGWIUTSIB-HNNXBMFYSA-N 1 0 316.449 2.034 10 0 DEAERO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@@H](C)C1CCCCC1 ZINC000408021348 278255918 /nfs/dbraw/zinc/25/59/18/278255918.db2.gz HTEMWCJNZLIXMZ-KGLIPLIRSA-N 1 0 317.495 2.121 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc(S(C)(=O)=O)cc1 ZINC000246880237 278264805 /nfs/dbraw/zinc/26/48/05/278264805.db2.gz KGMGNJXQJXQMBW-JGGQBBKZSA-N 1 0 311.447 2.292 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1nc2c(s1)CCCC2 ZINC000180585314 278388212 /nfs/dbraw/zinc/38/82/12/278388212.db2.gz ZBRXINKZFLCWPL-MNOVXSKESA-N 1 0 303.435 2.279 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086468534 278598863 /nfs/dbraw/zinc/59/88/63/278598863.db2.gz NZXRPAQJMNUMFI-ZJUUUORDSA-N 1 0 302.827 2.019 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c(C)s1 ZINC000070177283 278739173 /nfs/dbraw/zinc/73/91/73/278739173.db2.gz RKIXJTDKMOINPZ-SKDRFNHKSA-N 1 0 302.465 2.113 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000191536786 279040221 /nfs/dbraw/zinc/04/02/21/279040221.db2.gz JSVZSLOPWSWHTG-NUEKZKHPSA-N 1 0 302.418 2.321 10 0 DEAERO C[C@@H]1[C@H](C)N(C(=O)c2n[nH]c3ccc(Cl)cc32)CC[N@H+]1C ZINC000408022919 279102236 /nfs/dbraw/zinc/10/22/36/279102236.db2.gz OYMSZKZIRJLNCZ-ZJUUUORDSA-N 1 0 306.797 2.381 10 0 DEAERO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cccc2ccccc21 ZINC000123924454 279141951 /nfs/dbraw/zinc/14/19/51/279141951.db2.gz SYTMPFPTMOOSFM-CQSZACIVSA-N 1 0 306.431 2.492 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000188407323 279166920 /nfs/dbraw/zinc/16/69/20/279166920.db2.gz MEEPDLZHKCQGPY-LSDHHAIUSA-N 1 0 301.475 2.011 10 0 DEAERO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)C[C@@H]1CCCO1 ZINC000128055668 279215903 /nfs/dbraw/zinc/21/59/03/279215903.db2.gz XNDJNTRVESAXLL-HNNXBMFYSA-N 1 0 323.437 2.062 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1ccco1)N(C)C ZINC000245457966 279325805 /nfs/dbraw/zinc/32/58/05/279325805.db2.gz CJWTXBPYLPPEQW-LSDHHAIUSA-N 1 0 322.453 2.008 10 0 DEAERO C[C@@H]1C[NH+](CCC2CC[NH+](CCCC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000175797185 288156653 /nfs/dbraw/zinc/15/66/53/288156653.db2.gz BOKZWCGLGKNVQX-HUUCEWRRSA-N 1 0 312.454 2.063 10 0 DEAERO CC(C)[C@H](C)CC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000176674882 280196570 /nfs/dbraw/zinc/19/65/70/280196570.db2.gz SEWWSQUYAUVKTR-SJORKVTESA-N 1 0 309.498 2.297 10 0 DEAERO O=C1NCCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000221799089 280287332 /nfs/dbraw/zinc/28/73/32/280287332.db2.gz JPXMLTJMHFNHMK-STQMWFEESA-N 1 0 309.207 2.305 10 0 DEAERO CC(C)[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000262245631 280312415 /nfs/dbraw/zinc/31/24/15/280312415.db2.gz RZYKKTINBMBQPT-SJCJKPOMSA-N 1 0 318.417 2.127 10 0 DEAERO O=C1[C@@H](N2CC[N@@H+]3CCC[C@@H]3C2)CCCN1c1ccccc1F ZINC000179310656 280313972 /nfs/dbraw/zinc/31/39/72/280313972.db2.gz MGLINLPOLHRZSW-PBHICJAKSA-N 1 0 317.408 2.101 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000247495965 288305092 /nfs/dbraw/zinc/30/50/92/288305092.db2.gz UPUXWLMUQUUEKL-BRSBDYLESA-N 1 0 319.493 2.336 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(N(C)C)cc1 ZINC000246532268 288316928 /nfs/dbraw/zinc/31/69/28/288316928.db2.gz IRXYQCYTFMZEDP-RDJZCZTQSA-N 1 0 301.434 2.451 10 0 DEAERO CCc1cc(C(=O)NC[C@H](C(C)C)N2CCOCC2)oc1CC ZINC000134710110 281381195 /nfs/dbraw/zinc/38/11/95/281381195.db2.gz QAQFXADFBXGCQQ-OAHLLOKOSA-N 1 0 322.449 2.491 10 0 DEAERO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCCOCCc1ccccc1 ZINC000185945777 289155271 /nfs/dbraw/zinc/15/52/71/289155271.db2.gz LIRVBOPJOJAYJF-SFHVURJKSA-N 1 0 304.434 2.366 10 0 DEAERO C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@H]2CCCC[C@@H]12 ZINC000248407698 297013216 /nfs/dbraw/zinc/01/32/16/297013216.db2.gz BSMJTDWFYXDNJU-UGUYLWEFSA-N 1 0 314.495 2.169 10 0 DEAERO CO[C@H](C(=O)N1CCCC12CC[NH+](C)CC2)c1ccc(O)cc1 ZINC000408153420 294176658 /nfs/dbraw/zinc/17/66/58/294176658.db2.gz CAYQSBMZWGGKEU-INIZCTEOSA-N 1 0 318.417 2.167 10 0 DEAERO CO[C@H](C)[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460659710 294311838 /nfs/dbraw/zinc/31/18/38/294311838.db2.gz XCUGGPUPMGDADS-KBUPBQIOSA-N 1 0 311.470 2.362 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261880444 295186320 /nfs/dbraw/zinc/18/63/20/295186320.db2.gz UASRREFSOCMKRO-MGPQQGTHSA-N 1 0 306.406 2.048 10 0 DEAERO C[C@H](CCNC(=O)N1C[C@H]2CCC[C@@H](C1)C2O)[NH+]1CCCCC1 ZINC000182716584 298435220 /nfs/dbraw/zinc/43/52/20/298435220.db2.gz IRLHLLBLYPNJCK-VPSFDDGASA-N 1 0 323.481 2.053 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1snnc1C(C)(C)C ZINC000189008814 300314856 /nfs/dbraw/zinc/31/48/56/300314856.db2.gz UCNKBJWKRWBZOR-WDEREUQCSA-N 1 0 308.451 2.144 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]nc1-c1ccccc1 ZINC000247246655 300318862 /nfs/dbraw/zinc/31/88/62/300318862.db2.gz YMPOOPJRCSOFFJ-ZFWWWQNUSA-N 1 0 310.401 2.385 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000247952671 301252404 /nfs/dbraw/zinc/25/24/04/301252404.db2.gz FEVLTURQPQKRRB-PMPSAXMXSA-N 1 0 304.438 2.004 10 0 DEAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000152349304 301984149 /nfs/dbraw/zinc/98/41/49/301984149.db2.gz MIEKPHONBUSLFO-WBVHZDCISA-N 1 0 304.434 2.453 10 0 DEAERO Cc1cnc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c(O)c1 ZINC000408371041 302332617 /nfs/dbraw/zinc/33/26/17/302332617.db2.gz TVWBXZJNAJBWGB-UHFFFAOYSA-N 1 0 303.406 2.186 10 0 DEAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000574103515 326123593 /nfs/dbraw/zinc/12/35/93/326123593.db2.gz OZGKOXLLYUXMOS-BPQIPLTHSA-N 1 0 323.408 2.172 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(Br)cn1 ZINC000576522201 326299894 /nfs/dbraw/zinc/29/98/94/326299894.db2.gz ZJINVSOUQMDPLA-KOLCDFICSA-N 1 0 312.211 2.116 10 0 DEAERO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C1CCSCC1 ZINC000187306180 332965947 /nfs/dbraw/zinc/96/59/47/332965947.db2.gz QMESQFSFTPIYCX-WCQYABFASA-N 1 0 310.467 2.381 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000187691351 332982737 /nfs/dbraw/zinc/98/27/37/332982737.db2.gz VXYHTGFYLJSLIW-FUHWJXTLSA-N 1 0 306.450 2.240 10 0 DEAERO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@H](C)COC ZINC000189540892 333101001 /nfs/dbraw/zinc/10/10/01/333101001.db2.gz QVGDQWYVQKWJQU-ZDUSSCGKSA-N 1 0 321.421 2.188 10 0 DEAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1cnn(C)c1C ZINC000387703578 333162024 /nfs/dbraw/zinc/16/20/24/333162024.db2.gz XRJSNIBYSSNSJH-GFCCVEGCSA-N 1 0 310.442 2.464 10 0 DEAERO COC[C@H](C)C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000187682252 333236087 /nfs/dbraw/zinc/23/60/87/333236087.db2.gz OXKAOMGCVAGLJA-ZIAGYGMSSA-N 1 0 320.433 2.277 10 0 DEAERO c1ccc(Cc2nc(CN3CCC[C@@]4(CC[NH2+]C4)C3)no2)cc1 ZINC000583684280 336698130 /nfs/dbraw/zinc/69/81/30/336698130.db2.gz QWYNGGKFXSKMAR-SFHVURJKSA-N 1 0 312.417 2.236 10 0 DEAERO Cc1nccc(N2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)n1 ZINC000583096485 337240547 /nfs/dbraw/zinc/24/05/47/337240547.db2.gz KFQQXPNMWQTRML-MRXNPFEDSA-N 1 0 316.449 2.399 10 0 DEAERO O[C@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)COc1ccccc1 ZINC000584388172 337242356 /nfs/dbraw/zinc/24/23/56/337242356.db2.gz AONDJCCXHGMIPC-CYBMUJFWSA-N 1 0 313.357 2.199 10 0 DEAERO NC(=[NH2+])c1cn2ccnc2c(CCC(F)(F)C(F)(F)F)n1 ZINC000584605091 337371471 /nfs/dbraw/zinc/37/14/71/337371471.db2.gz CIFWINSOXIQXGR-UHFFFAOYSA-N 1 0 307.226 2.144 10 0 DEAERO CCCCCOC[C@@H](O)C[NH2+]CCOc1ccccc1OC ZINC000584627854 337376130 /nfs/dbraw/zinc/37/61/30/337376130.db2.gz LURGLDUMVOGMKH-HNNXBMFYSA-N 1 0 311.422 2.231 10 0 DEAERO C[N@@H+]1C[C@H](O)C[C@H](C(O)(c2cccs2)c2cccs2)C1 ZINC000584631762 337376970 /nfs/dbraw/zinc/37/69/70/337376970.db2.gz UAQNWQBJYFDZLR-NWDGAFQWSA-N 1 0 309.456 2.358 10 0 DEAERO Fc1ccc(-c2c[nH]c3ncc(OC4CC[NH2+]CC4)nc23)cn1 ZINC000584638531 337379686 /nfs/dbraw/zinc/37/96/86/337379686.db2.gz AYNCRBNGFMUCLU-UHFFFAOYSA-N 1 0 313.336 2.290 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000229382586 518187302 /nfs/dbraw/zinc/18/73/02/518187302.db2.gz QYRFZXOZGNLPRG-CYBMUJFWSA-N 1 0 314.426 2.192 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCc2cccc(F)c2)C1 ZINC000156478330 519691992 /nfs/dbraw/zinc/69/19/92/519691992.db2.gz LMEZMBJMDRHJRU-CJNGLKHVSA-N 1 0 307.413 2.396 10 0 DEAERO CC(C)CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000158131868 519693801 /nfs/dbraw/zinc/69/38/01/519693801.db2.gz DNNVCHIXIIRZLT-JKSUJKDBSA-N 1 0 323.481 2.001 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2csc(CC)n2)C1 ZINC000107814124 519863287 /nfs/dbraw/zinc/86/32/87/519863287.db2.gz YVWZIGSVTKWGLT-GFCCVEGCSA-N 1 0 310.467 2.237 10 0 DEAERO CCCC(=O)N[C@H]1CCC[N@H+](CCCCCn2cccn2)C1 ZINC000104682562 519876615 /nfs/dbraw/zinc/87/66/15/519876615.db2.gz QWFPQFCZXNTLPB-INIZCTEOSA-N 1 0 306.454 2.434 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)CC ZINC000237077181 520008059 /nfs/dbraw/zinc/00/80/59/520008059.db2.gz AUYGJWOMENVVMW-CQSZACIVSA-N 1 0 321.446 2.046 10 0 DEAERO CCC[C@@H](C(=O)N1CCO[C@@H](c2cccc(O)c2)C1)[NH+](C)C ZINC000158250640 520582492 /nfs/dbraw/zinc/58/24/92/520582492.db2.gz QAVHOEVHWQFWQG-JKSUJKDBSA-N 1 0 306.406 2.022 10 0 DEAERO CCOc1cc2c(cc1CNC(=O)[C@H]([NH3+])[C@H](C)CC)O[C@H](C)C2 ZINC000246504933 520791973 /nfs/dbraw/zinc/79/19/73/520791973.db2.gz QDMOIIIQPINQJE-PSTGCABASA-N 1 0 320.433 2.398 10 0 DEAERO CCC[C@H](C)CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107284049 521012817 /nfs/dbraw/zinc/01/28/17/521012817.db2.gz MTMNHTGYCVDWSH-IRXDYDNUSA-N 1 0 309.498 2.441 10 0 DEAERO CCCC[C@H]([NH2+]CCn1cc(C)cn1)C(=O)Nc1cc(C)on1 ZINC000105881591 521239311 /nfs/dbraw/zinc/23/93/11/521239311.db2.gz HDQPXOYOTQVSHJ-AWEZNQCLSA-N 1 0 319.409 2.275 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2cccc(O)c2)[C@@H](C)C1 ZINC000246411971 521712308 /nfs/dbraw/zinc/71/23/08/521712308.db2.gz KYIGEEUNWIXQOW-WMLDXEAASA-N 1 0 319.449 2.306 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2nc(C)cs2)[C@H](C)C1 ZINC000128121276 521718588 /nfs/dbraw/zinc/71/85/88/521718588.db2.gz LREWRDIBVXSAFX-YPMHNXCESA-N 1 0 310.467 2.323 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCc1nc(-c2ccccn2)cs1 ZINC000237072735 521835309 /nfs/dbraw/zinc/83/53/09/521835309.db2.gz DTDCHTUNTOSXQA-XHDPSFHLSA-N 1 0 318.446 2.237 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2ncc(-c3cccs3)o2)CCO1 ZINC000109133099 521852727 /nfs/dbraw/zinc/85/27/27/521852727.db2.gz LRSSMGGJVMAZJP-GFCCVEGCSA-N 1 0 307.419 2.166 10 0 DEAERO CN(C)[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000246492416 522077129 /nfs/dbraw/zinc/07/71/29/522077129.db2.gz PIEBMMUHPRDKGI-LALPHHSUSA-N 1 0 309.841 2.186 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCCC3)CC2 ZINC000245927871 522531477 /nfs/dbraw/zinc/53/14/77/522531477.db2.gz RVNOLKKWPPNVPR-DLTLXFJOSA-N 1 0 316.449 2.093 10 0 DEAERO [NH3+]C[C@H]1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 ZINC000299739288 534691423 /nfs/dbraw/zinc/69/14/23/534691423.db2.gz MWRNAKBVZCJKEH-GFCCVEGCSA-N 1 0 314.364 2.385 10 0 DEAERO CN(C(=O)CCC(=O)c1cccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237200519 523796756 /nfs/dbraw/zinc/79/67/56/523796756.db2.gz PAORQCXNZHXUKZ-FUNVUKJBSA-N 1 0 306.431 2.452 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C1CCC1 ZINC000111866107 523831908 /nfs/dbraw/zinc/83/19/08/523831908.db2.gz MPPKZDVICNDKQN-JKSUJKDBSA-N 1 0 309.454 2.071 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000111864256 523832296 /nfs/dbraw/zinc/83/22/96/523832296.db2.gz NJAPXTPMBOMDEM-DLBZAZTESA-N 1 0 323.481 2.461 10 0 DEAERO COCCOc1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000128526258 524043680 /nfs/dbraw/zinc/04/36/80/524043680.db2.gz LEZNDQOIBYGPNH-INIZCTEOSA-N 1 0 315.417 2.435 10 0 DEAERO C[C@H](C[NH2+]Cc1cccc2c1OC(C)(C)C2)N1CCOCC1 ZINC000161583966 524488443 /nfs/dbraw/zinc/48/84/43/524488443.db2.gz WJUDERRPCPRJAY-CQSZACIVSA-N 1 0 304.434 2.210 10 0 DEAERO Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2)n1 ZINC000237660404 524538909 /nfs/dbraw/zinc/53/89/09/524538909.db2.gz ZDSCTNFONNQRCY-QGZVFWFLSA-N 1 0 312.417 2.112 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000359951172 534792233 /nfs/dbraw/zinc/79/22/33/534792233.db2.gz YFPVBJNGIDGYRO-CYBMUJFWSA-N 1 0 321.490 2.052 10 0 DEAERO Cc1cccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1 ZINC000337249941 524738218 /nfs/dbraw/zinc/73/82/18/524738218.db2.gz JRUZWASVIHPTSD-KSZLIROESA-N 1 0 305.418 2.236 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000249049312 524772082 /nfs/dbraw/zinc/77/20/82/524772082.db2.gz OAXTZZBRTFGHJN-XGUBFFRZSA-N 1 0 320.433 2.106 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000249148874 524991109 /nfs/dbraw/zinc/99/11/09/524991109.db2.gz GVMSAQUFLBMQMC-GXTWGEPZSA-N 1 0 321.396 2.014 10 0 DEAERO C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000124116969 525263561 /nfs/dbraw/zinc/26/35/61/525263561.db2.gz QZUXEMZSQZOWHE-RHSMWYFYSA-N 1 0 304.434 2.091 10 0 DEAERO CC(=O)c1ccc(NC(=O)CCN2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261803290 534858631 /nfs/dbraw/zinc/85/86/31/534858631.db2.gz OGZQBVOOOQPSER-MRXNPFEDSA-N 1 0 317.433 2.277 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000247308707 525479054 /nfs/dbraw/zinc/47/90/54/525479054.db2.gz QJAAIRBVNGFWFR-XJKCOSOUSA-N 1 0 315.417 2.011 10 0 DEAERO CC(=O)c1ccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)nc1 ZINC000455109861 534863802 /nfs/dbraw/zinc/86/38/02/534863802.db2.gz ACRIISAJIWHNTI-UHFFFAOYSA-N 1 0 316.405 2.423 10 0 DEAERO C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875572 526027166 /nfs/dbraw/zinc/02/71/66/526027166.db2.gz GPRVCNBNQSCKTA-CQSZACIVSA-N 1 0 318.465 2.122 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000178809773 534911848 /nfs/dbraw/zinc/91/18/48/534911848.db2.gz ABASUENUVFAVNO-GJZGRUSLSA-N 1 0 306.454 2.181 10 0 DEAERO c1ccc(-n2nnnc2CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000338270348 526459413 /nfs/dbraw/zinc/45/94/13/526459413.db2.gz FCIAESDMIIBTEE-UHFFFAOYSA-N 1 0 305.385 2.263 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000330952452 526479164 /nfs/dbraw/zinc/47/91/64/526479164.db2.gz FJPQCWIKAYVDNU-STQMWFEESA-N 1 0 303.406 2.481 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000299378126 527157806 /nfs/dbraw/zinc/15/78/06/527157806.db2.gz SKSSJMTXRJXFNH-IAQYHMDHSA-N 1 0 319.449 2.431 10 0 DEAERO CC(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1O ZINC000331336363 527235469 /nfs/dbraw/zinc/23/54/69/527235469.db2.gz IWXUBFUNSOUDGU-BXUZGUMPSA-N 1 0 304.390 2.150 10 0 DEAERO [NH3+][C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)C1CC1 ZINC000245645747 527386537 /nfs/dbraw/zinc/38/65/37/527386537.db2.gz CBOTTYLPWONYBV-MGPQQGTHSA-N 1 0 323.234 2.406 10 0 DEAERO C(c1noc(C2CCOCC2)n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000328608980 527497657 /nfs/dbraw/zinc/49/76/57/527497657.db2.gz MHWWYVZMGOJMTF-HNNXBMFYSA-N 1 0 320.437 2.024 10 0 DEAERO CC(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000295821695 527822945 /nfs/dbraw/zinc/82/29/45/527822945.db2.gz BXYVYFDSSUVYRN-INIZCTEOSA-N 1 0 306.406 2.412 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328766348 527830513 /nfs/dbraw/zinc/83/05/13/527830513.db2.gz FHPQXFKNXIZPOU-GJZGRUSLSA-N 1 0 309.454 2.466 10 0 DEAERO CCC[NH+]1CCC(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000157573782 528198780 /nfs/dbraw/zinc/19/87/80/528198780.db2.gz YBRSBQIGVLKNIC-YJBOKZPZSA-N 1 0 323.481 2.197 10 0 DEAERO CCN(Cc1cccc(F)c1)C(=O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191144376 528808923 /nfs/dbraw/zinc/80/89/23/528808923.db2.gz YIGMUOQCMLIZFU-KBPBESRZSA-N 1 0 322.424 2.408 10 0 DEAERO CCN(C(=O)[C@H](C)N1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422625429 529052993 /nfs/dbraw/zinc/05/29/93/529052993.db2.gz BOBQFSXFNWFDKV-HNNXBMFYSA-N 1 0 301.434 2.256 10 0 DEAERO CCC1(CC)CN(CCC[NH+]2CCCCC2)CC[S@]1=O ZINC000189221271 529080390 /nfs/dbraw/zinc/08/03/90/529080390.db2.gz GDPBEVHJUJTCBY-FQEVSTJZSA-N 1 0 300.512 2.486 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1Cc2ccccc2C1 ZINC000262544606 535043271 /nfs/dbraw/zinc/04/32/71/535043271.db2.gz RPCQTKDBGKMILX-HDMKZQKVSA-N 1 0 300.402 2.061 10 0 DEAERO CCC(CC)[C@H](CNC(=O)NCCc1cn[nH]c1)[NH+]1CCCC1 ZINC000358444729 535143274 /nfs/dbraw/zinc/14/32/74/535143274.db2.gz AFQIGAVZAUJWGU-INIZCTEOSA-N 1 0 321.469 2.152 10 0 DEAERO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000358168229 535239802 /nfs/dbraw/zinc/23/98/02/535239802.db2.gz QBVGVTPSFLWAPD-AWEZNQCLSA-N 1 0 321.469 2.419 10 0 DEAERO CC1(C)CN(C(=O)Cc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000262045091 535337772 /nfs/dbraw/zinc/33/77/72/535337772.db2.gz QMTQGPLFTBQWCJ-MRXNPFEDSA-N 1 0 312.417 2.001 10 0 DEAERO CC1(C)CN(CC(=O)Nc2cccc3c2N=S=N3)CC[C@H]1[NH3+] ZINC000262556063 535353999 /nfs/dbraw/zinc/35/39/99/535353999.db2.gz UFYJNMGOYLMWKY-GFCCVEGCSA-N 1 0 319.434 2.411 10 0 DEAERO CCCn1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn1 ZINC000248437860 535605081 /nfs/dbraw/zinc/60/50/81/535605081.db2.gz HHYCPAKCYPBONL-SJORKVTESA-N 1 0 312.417 2.468 10 0 DEAERO CCN(C[C@@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1)CC(F)(F)F ZINC000248393434 535770643 /nfs/dbraw/zinc/77/06/43/535770643.db2.gz LSRMXCXLMRLMES-VHSXEESVSA-N 1 0 322.293 2.116 10 0 DEAERO CC[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)C(=O)NC ZINC000449770512 535805782 /nfs/dbraw/zinc/80/57/82/535805782.db2.gz FVFGOOXMDMWQPQ-LLVKDONJSA-N 1 0 303.175 2.202 10 0 DEAERO CN(C(=O)C1CCC(=O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355278032 535964663 /nfs/dbraw/zinc/96/46/63/535964663.db2.gz PHSDIVYXEHKSFL-QGZVFWFLSA-N 1 0 314.429 2.479 10 0 DEAERO CCc1cnc(CN(C)C(=O)NCC[N@H+]2CC=C(C)CC2)s1 ZINC000358191227 536029999 /nfs/dbraw/zinc/02/99/99/536029999.db2.gz OQKVTOSWRGMLHL-UHFFFAOYSA-N 1 0 322.478 2.499 10 0 DEAERO CCc1ccc(NC(=O)[C@@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000193654620 536188576 /nfs/dbraw/zinc/18/85/76/536188576.db2.gz JXTZGGALAKCMNH-BMFZPTHFSA-N 1 0 301.434 2.069 10 0 DEAERO C[NH2+][C@H](C)CNC(=O)c1ccccc1SCc1nc(C)no1 ZINC000261844657 536401259 /nfs/dbraw/zinc/40/12/59/536401259.db2.gz WRXWHCPNTLUMAF-SNVBAGLBSA-N 1 0 320.418 2.008 10 0 DEAERO CO[C@@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1ccc(F)cc1 ZINC000262458768 536500783 /nfs/dbraw/zinc/50/07/83/536500783.db2.gz WWIYPGRHEKIQAF-QILLFSRXSA-N 1 0 320.408 2.409 10 0 DEAERO COc1cc(C)c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1OC ZINC000357923460 536561287 /nfs/dbraw/zinc/56/12/87/536561287.db2.gz VTWVITCDOZBFJK-CYBMUJFWSA-N 1 0 318.417 2.392 10 0 DEAERO CO[C@@H]1CCN(CC(=O)Nc2ccc(C(C)C)cc2)[C@H](C[NH3+])C1 ZINC000261639980 536683598 /nfs/dbraw/zinc/68/35/98/536683598.db2.gz DSTRZVOUWDKOHX-DLBZAZTESA-N 1 0 319.449 2.187 10 0 DEAERO CO[C@@H]1CCN(Cc2cnc(C(F)(F)F)s2)[C@H](C[NH3+])C1 ZINC000261758809 536690105 /nfs/dbraw/zinc/69/01/05/536690105.db2.gz CSRSOQWDGKMARQ-DTWKUNHWSA-N 1 0 309.357 2.100 10 0 DEAERO CO[C@@H]1CC[C@H]([NH2+][C@H](C)CC(=O)NCCc2ccccc2)C1 ZINC000471791199 536705843 /nfs/dbraw/zinc/70/58/43/536705843.db2.gz IFAHNHFJKRKISX-HYVNUMGLSA-N 1 0 304.434 2.281 10 0 DEAERO COCc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000246918108 536748719 /nfs/dbraw/zinc/74/87/19/536748719.db2.gz WCYVMROQOSNOEO-DLBZAZTESA-N 1 0 302.418 2.389 10 0 DEAERO CO[C@H]1CC[C@H](NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000454838626 536765021 /nfs/dbraw/zinc/76/50/21/536765021.db2.gz BKPMMKIACQMIEL-JYJNAYRXSA-N 1 0 311.470 2.364 10 0 DEAERO COc1ccc(C)cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000262017666 536806826 /nfs/dbraw/zinc/80/68/26/536806826.db2.gz WFXFDAFYCJWCFG-RCCFBDPRSA-N 1 0 318.461 2.293 10 0 DEAERO COc1ccc2[nH]c(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)cc2c1 ZINC000248768164 536958664 /nfs/dbraw/zinc/95/86/64/536958664.db2.gz ABLYZWGTSOULGU-JSGCOSHPSA-N 1 0 313.401 2.485 10 0 DEAERO COCC[C@H]([NH3+])C(=O)Nc1cc(Br)ccc1C ZINC000052792696 625320644 /nfs/dbraw/zinc/32/06/44/625320644.db2.gz MQJHBMLZWNJVTH-JTQLQIEISA-N 1 0 301.184 2.060 10 0 DEAERO C[C@@H]1CN(Cc2ccccc2I)C[C@@H]1[NH3+] ZINC000309460951 625322753 /nfs/dbraw/zinc/32/27/53/625322753.db2.gz OVNWNWQQADRVSR-SKDRFNHKSA-N 1 0 316.186 2.070 10 0 DEAERO COC(=O)C(C)(C)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000309738886 625328261 /nfs/dbraw/zinc/32/82/61/625328261.db2.gz QHLNKDIKHPNJJB-GFCCVEGCSA-N 1 0 314.426 2.175 10 0 DEAERO COCCn1c(C)c(C)n(CN2CC[N@@H+]3CCC[C@H]3C2)c1=S ZINC000247006683 623170602 /nfs/dbraw/zinc/17/06/02/623170602.db2.gz ITSPQTHIIZVRHQ-HNNXBMFYSA-N 1 0 324.494 2.020 10 0 DEAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Br)c(F)c1 ZINC000757183740 623232060 /nfs/dbraw/zinc/23/20/60/623232060.db2.gz GCSOVHIVGHPUJK-IUCAKERBSA-N 1 0 302.143 2.064 10 0 DEAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1F ZINC000757185505 623233541 /nfs/dbraw/zinc/23/35/41/623233541.db2.gz WNIJQQIKBPHWNM-VHSXEESVSA-N 1 0 302.143 2.064 10 0 DEAERO C[NH2+]CCc1noc(-c2ccc(F)cc2Br)n1 ZINC000051850792 623852762 /nfs/dbraw/zinc/85/27/62/623852762.db2.gz IPRPUWPRQYHISE-UHFFFAOYSA-N 1 0 300.131 2.400 10 0 DEAERO COc1ccc(/C=C\C[N@@H+]2CC[C@@]3(CN(C)C(=O)O3)C2)cc1 ZINC000096839122 624169838 /nfs/dbraw/zinc/16/98/38/624169838.db2.gz YJFBHEPHEPYPDM-CWIOURORSA-N 1 0 302.374 2.235 10 0 DEAERO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255504708 624877437 /nfs/dbraw/zinc/87/74/37/624877437.db2.gz YSFRCRQKICMQIA-ZHUYAKLQSA-N 1 0 314.426 2.431 10 0 DEAERO CCCC1(c2noc(CN3CCCC[C@H]([NH3+])C3=O)n2)CCC1 ZINC000888078240 625058598 /nfs/dbraw/zinc/05/85/98/625058598.db2.gz CFMYFEYNTPLYLA-LBPRGKRZSA-N 1 0 306.410 2.131 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000052792482 625105001 /nfs/dbraw/zinc/10/50/01/625105001.db2.gz YXFTWQSVQAUVPM-VXGBXAGGSA-N 1 0 314.838 2.357 10 0 DEAERO CCc1cc(CNC(=O)N2CCC(C[NH+](CC)CC)CC2)[nH]n1 ZINC000739020373 625116392 /nfs/dbraw/zinc/11/63/92/625116392.db2.gz RIZWFOWKIQERCU-UHFFFAOYSA-N 1 0 321.469 2.236 10 0 DEAERO O[C@H](C[C@@H]1COCCN1CCC[NH+]1CCCCC1)c1ccco1 ZINC000161588325 625126292 /nfs/dbraw/zinc/12/62/92/625126292.db2.gz RNWWWJJXRWRMIM-IAGOWNOFSA-N 1 0 322.449 2.280 10 0 DEAERO CCCCC[C@H]([NH2+]C[C@H](O)CN1CCOCC1)C(C)(C)C ZINC000179917854 625171260 /nfs/dbraw/zinc/17/12/60/625171260.db2.gz XUANCKPYQLOCKQ-HOTGVXAUSA-N 1 0 300.487 2.264 10 0 DEAERO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000178931845 625181910 /nfs/dbraw/zinc/18/19/10/625181910.db2.gz MBBDDGDPUFVOBL-SHQCLWGWSA-N 1 0 312.410 2.200 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NNc2cc[nH+]cc2)cc1 ZINC000180439888 625185858 /nfs/dbraw/zinc/18/58/58/625185858.db2.gz GDIQULSTKLBXIO-NHYWBVRUSA-N 1 0 310.357 2.433 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1c2cc(C)ccc2oc1=O ZINC000177163735 625867741 /nfs/dbraw/zinc/86/77/41/625867741.db2.gz LZAIRDTZZBALIP-AWEZNQCLSA-N 1 0 303.406 2.277 10 0 DEAERO CSc1ccc(CNC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000194788149 633321601 /nfs/dbraw/zinc/32/16/01/633321601.db2.gz AKLUOAYJVNRANO-UHFFFAOYSA-N 1 0 307.444 2.296 10 0 DEAERO CCC[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1CCCCO1 ZINC000091619089 635144384 /nfs/dbraw/zinc/14/43/84/635144384.db2.gz ADGKNHIXCSMBHB-GFCCVEGCSA-N 1 0 310.360 2.336 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)OC[C@H]1CCCO1 ZINC000237064161 636362326 /nfs/dbraw/zinc/36/23/26/636362326.db2.gz RXWONPKTYWUGNI-UKRRQHHQSA-N 1 0 306.406 2.319 10 0 DEAERO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000178959895 637512473 /nfs/dbraw/zinc/51/24/73/637512473.db2.gz QOPUEZLNSIZEDA-NPQIQWPPSA-N 1 0 300.399 2.089 10 0 DEAERO CN(C)c1cc(C(=O)N(C)CCCC[NH+](C)C)cc(Cl)n1 ZINC000747399990 638433874 /nfs/dbraw/zinc/43/38/74/638433874.db2.gz YQFQFNZJTZZNDJ-UHFFFAOYSA-N 1 0 312.845 2.215 10 0 DEAERO O=C1[C@H]([NH2+]C[C@H]2CCc3ccccc32)CCN1C1CCOCC1 ZINC000747816027 638479010 /nfs/dbraw/zinc/47/90/10/638479010.db2.gz QHRRNXPKDHZKRQ-CRAIPNDOSA-N 1 0 314.429 2.086 10 0 DEAERO CC(=O)N(C)CC(=O)OC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000751175216 639063809 /nfs/dbraw/zinc/06/38/09/639063809.db2.gz JYILSNSZRQIEGY-GOSISDBHSA-N 1 0 318.417 2.063 10 0 DEAERO Cc1nc2c(nccc2C(=O)NCCC[N@H+]2CCCC[C@@H]2C)[nH]1 ZINC000436079178 642984344 /nfs/dbraw/zinc/98/43/44/642984344.db2.gz JSWCLAJOELLSTI-LBPRGKRZSA-N 1 0 315.421 2.261 10 0 DEAERO CCOC(=O)CC(C)(C)CC[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000805747101 643015419 /nfs/dbraw/zinc/01/54/19/643015419.db2.gz RYDKQRHNXOHKGC-UHFFFAOYSA-N 1 0 321.483 2.111 10 0 DEAERO C[C@@H](CNC(=O)NC1(CCO)CCCCC1)[NH+]1CCCCC1 ZINC000802012681 645473775 /nfs/dbraw/zinc/47/37/75/645473775.db2.gz MODVMANNBYIYIN-HNNXBMFYSA-N 1 0 311.470 2.245 10 0 DEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCC12OCCO2 ZINC000806542697 645843418 /nfs/dbraw/zinc/84/34/18/645843418.db2.gz WFKKULRXNARICJ-CABCVRRESA-N 1 0 312.454 2.156 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC(=O)OCc1ccccc1 ZINC000150700134 646035171 /nfs/dbraw/zinc/03/51/71/646035171.db2.gz CJNORYIGWNELPY-JKSUJKDBSA-N 1 0 318.417 2.144 10 0 DEAERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000150735825 646084072 /nfs/dbraw/zinc/08/40/72/646084072.db2.gz KKVXRPKYSBVRSW-OAHLLOKOSA-N 1 0 310.438 2.007 10 0 DEAERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000150742589 646085729 /nfs/dbraw/zinc/08/57/29/646085729.db2.gz XINXUIMZRFVBOS-MRXNPFEDSA-N 1 0 324.465 2.443 10 0 DEAERO [NH3+]C[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000044531954 646393376 /nfs/dbraw/zinc/39/33/76/646393376.db2.gz JRBITNSFZDEPFU-JTQLQIEISA-N 1 0 322.352 2.155 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000075684709 646642545 /nfs/dbraw/zinc/64/25/45/646642545.db2.gz IKMPMDVATVNNJM-QGZVFWFLSA-N 1 0 305.418 2.422 10 0 DEAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)Nc1sccc1C(N)=O ZINC000172170253 646725000 /nfs/dbraw/zinc/72/50/00/646725000.db2.gz ZPTWFUDIQOYKJW-UWVGGRQHSA-N 1 0 309.435 2.342 10 0 DEAERO Brc1cccnc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000231803485 646780695 /nfs/dbraw/zinc/78/06/95/646780695.db2.gz JOYPZPRHTUBDDR-VIFPVBQESA-N 1 0 323.194 2.436 10 0 DEAERO Cc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N(C)C)o2)o1 ZINC000088540167 646891987 /nfs/dbraw/zinc/89/19/87/646891987.db2.gz AVNBGHXWMQWEDQ-LLVKDONJSA-N 1 0 312.391 2.282 10 0 DEAERO Cc1ccc([C@H](C)NCc2ccc(S(=O)(=O)N(C)C)o2)o1 ZINC000088540168 646892134 /nfs/dbraw/zinc/89/21/34/646892134.db2.gz AVNBGHXWMQWEDQ-NSHDSACASA-N 1 0 312.391 2.282 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1ccc(Cl)nc1 ZINC000228934291 647407528 /nfs/dbraw/zinc/40/75/28/647407528.db2.gz WZLJMKQYGROZGR-JVLSTEMRSA-N 1 0 309.797 2.206 10 0 DEAERO COCC[N@@H+]1CCC[C@@H](NC(=O)/C=C(/C)c2cccc(F)c2)C1 ZINC000732080109 647539597 /nfs/dbraw/zinc/53/95/97/647539597.db2.gz VVQXGRKGCXHNIF-VWILAXROSA-N 1 0 320.408 2.456 10 0 DEAERO C[C@H]([NH2+]CC1(CO)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000154744183 648083691 /nfs/dbraw/zinc/08/36/91/648083691.db2.gz JKTJXZKVZQMADS-UONOGXRCSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CSCCS2)CC[N@@H+]1C ZINC000155084929 648179967 /nfs/dbraw/zinc/17/99/67/648179967.db2.gz IRLDWCCYYWTBCZ-JHJVBQTASA-N 1 0 302.509 2.166 10 0 DEAERO [NH3+]C1CCC(NC(=O)CCC(=O)c2ccc(F)c(F)c2)CC1 ZINC000237849819 648433660 /nfs/dbraw/zinc/43/36/60/648433660.db2.gz ZHLUVFZTLLHUGQ-UHFFFAOYSA-N 1 0 310.344 2.314 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ncc(Cl)n2C)C[C@H]1CC ZINC000105837840 651223139 /nfs/dbraw/zinc/22/31/39/651223139.db2.gz QPGDIIPXSAVMLT-CYBMUJFWSA-N 1 0 314.861 2.006 10 0 DEAERO CC(=O)CC[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000114461463 651957441 /nfs/dbraw/zinc/95/74/41/651957441.db2.gz QOCLZHSBCPUTLK-ZDUSSCGKSA-N 1 0 319.323 2.356 10 0 DEAERO CN1CCC[NH+]=C1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379702965 685392408 /nfs/dbraw/zinc/39/24/08/685392408.db2.gz AMMPVKZMQLPVIE-KRWDZBQOSA-N 1 0 300.450 2.322 10 0 DEAERO Brc1c[nH]c(C[NH2+]C[C@H]2Cc3ccccc3O2)n1 ZINC000386259220 685416762 /nfs/dbraw/zinc/41/67/62/685416762.db2.gz FICGTFYPBYMVNP-SNVBAGLBSA-N 1 0 308.179 2.266 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)[C@H](C)O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000386867309 685419828 /nfs/dbraw/zinc/41/98/28/685419828.db2.gz CXKDNIRCPVRNKF-RFQIPJPRSA-N 1 0 300.443 2.381 10 0 DEAERO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000389019325 685431831 /nfs/dbraw/zinc/43/18/31/685431831.db2.gz YSABAASOEYSBNI-DTWKUNHWSA-N 1 0 323.245 2.399 10 0 DEAERO CCCNC(=[NH2+])NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000087002017 684013321 /nfs/dbraw/zinc/01/33/21/684013321.db2.gz DSALYFDPBNVBJZ-AWEZNQCLSA-N 1 0 305.422 2.225 10 0 DEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000093988346 684052011 /nfs/dbraw/zinc/05/20/11/684052011.db2.gz DICQZVRCZNEMOO-CVEARBPZSA-N 1 0 315.417 2.248 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000124530542 684135989 /nfs/dbraw/zinc/13/59/89/684135989.db2.gz MGKSCLRMOJLERT-GOEBONIOSA-N 1 0 306.431 2.021 10 0 DEAERO c1ccc(C[C@H](CN2CCOCC2)[NH2+][C@H]2CCCSC2)cc1 ZINC000131460743 684199593 /nfs/dbraw/zinc/19/95/93/684199593.db2.gz FFSQCQGJNVAYTM-ZWKOTPCHSA-N 1 0 320.502 2.415 10 0 DEAERO C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CCS1 ZINC000131690246 684201809 /nfs/dbraw/zinc/20/18/09/684201809.db2.gz NYAPRRBRXJXGOB-BXUZGUMPSA-N 1 0 303.431 2.002 10 0 DEAERO CNc1ncc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)s1 ZINC000137403325 684243944 /nfs/dbraw/zinc/24/39/44/684243944.db2.gz MYUPWWJBCONKDF-CYBMUJFWSA-N 1 0 318.446 2.088 10 0 DEAERO CC(C)c1ccc([C@H](C)[NH2+]CC2CN(S(C)(=O)=O)C2)cc1 ZINC000187639237 684340671 /nfs/dbraw/zinc/34/06/71/684340671.db2.gz BHLOURFUGFGSMJ-ZDUSSCGKSA-N 1 0 310.463 2.352 10 0 DEAERO C[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc2c(c1)CCCC2 ZINC000187831501 684344258 /nfs/dbraw/zinc/34/42/58/684344258.db2.gz FBEUKSXHLQJGNQ-CYBMUJFWSA-N 1 0 322.474 2.107 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000192529396 684452124 /nfs/dbraw/zinc/45/21/24/684452124.db2.gz CTUQBLBWPDYGOI-QZTJIDSGSA-N 1 0 306.450 2.199 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCOC1 ZINC000192819312 684458704 /nfs/dbraw/zinc/45/87/04/684458704.db2.gz QZEDVXQWRCDLGX-IRXDYDNUSA-N 1 0 304.434 2.092 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccnn1C ZINC000193057585 684464147 /nfs/dbraw/zinc/46/41/47/684464147.db2.gz QYOCVJIMVNNFTF-ZBFHGGJFSA-N 1 0 312.417 2.262 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCSC(F)(F)F ZINC000194453775 685067836 /nfs/dbraw/zinc/06/78/36/685067836.db2.gz KYELNXIKPDSPML-JTQLQIEISA-N 1 0 313.389 2.413 10 0 DEAERO CC1CC[NH+](CCN2CCOC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000246436625 685130163 /nfs/dbraw/zinc/13/01/63/685130163.db2.gz BGFWNLMDUJVQGN-DLBZAZTESA-N 1 0 322.449 2.136 10 0 DEAERO CCOCCN1CC[N@H+](C[C@@H](O)c2ccc(C)cc2)C[C@@H]1C ZINC000246730267 685135233 /nfs/dbraw/zinc/13/52/33/685135233.db2.gz MWOGXXPZIXOUJJ-FUHWJXTLSA-N 1 0 306.450 2.071 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cn1nnc2ccccc2c1=S ZINC000246971878 685140218 /nfs/dbraw/zinc/14/02/18/685140218.db2.gz GRFMXOVGKYTNJB-OLZOCXBDSA-N 1 0 315.446 2.287 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCCCCCC2)C[C@H]1C ZINC000247663836 685152143 /nfs/dbraw/zinc/15/21/43/685152143.db2.gz YINRZNLERQRHAI-CABCVRRESA-N 1 0 311.470 2.196 10 0 DEAERO CN(C[C@H]1CCCO1)CN1C[C@@](C)(c2ccccc2)CC1=O ZINC000249292439 685177908 /nfs/dbraw/zinc/17/79/08/685177908.db2.gz WVHLQRCSMJTZTG-AEFFLSMTSA-N 1 0 302.418 2.245 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C2CC2)C(C)(C)C1 ZINC000300807067 685226809 /nfs/dbraw/zinc/22/68/09/685226809.db2.gz GNJSQAWITSARAY-KGLIPLIRSA-N 1 0 312.454 2.383 10 0 DEAERO Cn1cc(O[C@@H]2COC[C@@H]2[NH2+]Cc2cccc(C3CC3)c2)cn1 ZINC000862496502 686312784 /nfs/dbraw/zinc/31/27/84/686312784.db2.gz YPPHRXLTLCEMEJ-ZWKOTPCHSA-N 1 0 313.401 2.234 10 0 DEAERO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cnn[nH]1 ZINC000398356019 790266723 /nfs/dbraw/zinc/26/67/23/790266723.db2.gz LKFKVHRKCDYUII-WCQYABFASA-N 1 0 309.414 2.072 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1Nc1ccccc1S(=O)(=O)C(F)F ZINC000721975097 782418166 /nfs/dbraw/zinc/41/81/66/782418166.db2.gz ZRKXYZAEXCELSV-LLVKDONJSA-N 1 0 304.362 2.093 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cnccn1 ZINC000721981350 782421957 /nfs/dbraw/zinc/42/19/57/782421957.db2.gz GXUJJJILLIZOKA-YRGRVCCFSA-N 1 0 306.410 2.383 10 0 DEAERO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(Cl)cn1 ZINC000723850918 777187748 /nfs/dbraw/zinc/18/77/48/777187748.db2.gz OTZIZHKQERFOCB-JTQLQIEISA-N 1 0 304.843 2.456 10 0 DEAERO C[C@@H](Cc1ccccc1F)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723879495 777197812 /nfs/dbraw/zinc/19/78/12/777197812.db2.gz PIEDYHBPJYALKP-LBPRGKRZSA-N 1 0 301.427 2.417 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)CCC(C)(C)C2CC2)C[C@H]1CC[NH3+] ZINC000723909815 777203310 /nfs/dbraw/zinc/20/33/10/777203310.db2.gz QSOSHVMKUPVQAL-CHWSQXEVSA-N 1 0 302.484 2.059 10 0 DEAERO C[C@](O)(C[NH2+]CC1CCC(O)CC1)C(F)(F)C(F)(F)F ZINC000724037597 777225542 /nfs/dbraw/zinc/22/55/42/777225542.db2.gz VEBRRGKCOCSJPM-RTBKNWGFSA-N 1 0 305.287 2.076 10 0 DEAERO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1CCOCC1 ZINC000724037939 777226652 /nfs/dbraw/zinc/22/66/52/777226652.db2.gz WIOXUHBMARORGH-WCBMZHEXSA-N 1 0 305.287 2.340 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)[C@H]1CCCCO1 ZINC000724664086 777444128 /nfs/dbraw/zinc/44/41/28/777444128.db2.gz IPFHIHQPNSICER-FRRDWIJNSA-N 1 0 300.399 2.085 10 0 DEAERO Cc1nc(N(C)C2(C[NH3+])CCOCC2)ccc1Br ZINC000725005142 777554876 /nfs/dbraw/zinc/55/48/76/777554876.db2.gz ANAKWIWXUFDLRZ-UHFFFAOYSA-N 1 0 314.227 2.097 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000725118623 777589205 /nfs/dbraw/zinc/58/92/05/777589205.db2.gz GGZRBKGTTZYZFN-GFCCVEGCSA-N 1 0 314.476 2.318 10 0 DEAERO CC1(CNS(=O)(=O)/C=C\c2ccc(F)cc2)CC[NH2+]CC1 ZINC000588617429 777628535 /nfs/dbraw/zinc/62/85/35/777628535.db2.gz NIFUDNLPAPSPHM-WDZFZDKYSA-N 1 0 312.410 2.106 10 0 DEAERO C[C@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000722264938 778552218 /nfs/dbraw/zinc/55/22/18/778552218.db2.gz FBXYIASCGODGTQ-IXIBIKRGSA-N 1 0 323.481 2.457 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000722268293 778555716 /nfs/dbraw/zinc/55/57/16/778555716.db2.gz XIDDNMWUGVDJLL-URGYJCLVSA-N 1 0 311.470 2.362 10 0 DEAERO C[C@@H]1C[C@H](N[C@H]2CON(C(=O)OC(C)(C)C)C2)c2nccn21 ZINC000722475600 778731277 /nfs/dbraw/zinc/73/12/77/778731277.db2.gz MKBKHAHIYOIFLI-UTUOFQBUSA-N 1 0 308.382 2.029 10 0 DEAERO CC(C)[C@@H](Cn1cccn1)[NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000722500916 778743639 /nfs/dbraw/zinc/74/36/39/778743639.db2.gz FREHXODLFKEGEV-UONOGXRCSA-N 1 0 324.425 2.048 10 0 DEAERO CC(C)[C@H](C(=O)N[C@@H](C)C[NH+]1CCCCCC1)N1CCCC1=O ZINC000186310628 784377856 /nfs/dbraw/zinc/37/78/56/784377856.db2.gz ZXAAQEDCIOHKKV-DOTOQJQBSA-N 1 0 323.481 2.014 10 0 DEAERO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)ccc1F ZINC000712312945 784814890 /nfs/dbraw/zinc/81/48/90/784814890.db2.gz FCUPRPNPLKPHAN-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000721891877 787323504 /nfs/dbraw/zinc/32/35/04/787323504.db2.gz VARJUFYMMQYFME-WSROAFLRSA-N 1 0 314.838 2.228 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c1C ZINC000722567080 787334185 /nfs/dbraw/zinc/33/41/85/787334185.db2.gz LPLGHCBXWADCRD-UHFFFAOYSA-N 1 0 316.492 2.436 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]CC1=CCCOC1 ZINC000723820298 787345487 /nfs/dbraw/zinc/34/54/87/787345487.db2.gz RKGWHIAMKLFQEE-UKRRQHHQSA-N 1 0 310.438 2.426 10 0 DEAERO CC[C@H]([NH2+]Cc1cn(C)nc1Br)[C@@H]1CCCOC1 ZINC000723959421 787346019 /nfs/dbraw/zinc/34/60/19/787346019.db2.gz QYGPCPUAVZCUSE-PWSUYJOCSA-N 1 0 316.243 2.477 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@H]2CC23CC(O)C3)C1 ZINC000725001411 787356018 /nfs/dbraw/zinc/35/60/18/787356018.db2.gz NNWNRAZQRCFUCB-ZOVYBMJKSA-N 1 0 310.438 2.183 10 0 DEAERO CON(C)C(=O)C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000397518969 790196648 /nfs/dbraw/zinc/19/66/48/790196648.db2.gz GOZCPPGTIDOHSM-MRVPVSSYSA-N 1 0 319.174 2.259 10 0 DEAERO C[C@@H]([NH2+]Cc1cn(C)nc1Br)[C@H]1CCCOC1 ZINC000712397230 792185421 /nfs/dbraw/zinc/18/54/21/792185421.db2.gz LYHYKSXLOXNXSH-ZJUUUORDSA-N 1 0 302.216 2.087 10 0 DEAERO Cn1cc(C[NH2+]CCC[C@@H]2CCOC2)c(Br)n1 ZINC000712403312 792186986 /nfs/dbraw/zinc/18/69/86/792186986.db2.gz BKZDQWYFSWLXJM-SNVBAGLBSA-N 1 0 302.216 2.089 10 0 DEAERO Cn1cc(C[NH2+]CCCC(C)(C)CO)c(Br)n1 ZINC000712489325 792190832 /nfs/dbraw/zinc/19/08/32/792190832.db2.gz BULNKGJYOOTHLA-UHFFFAOYSA-N 1 0 304.232 2.071 10 0 DEAERO CN1CC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000712573101 792201229 /nfs/dbraw/zinc/20/12/29/792201229.db2.gz QSZDFXAJRZSUNB-YJNKXOJESA-N 1 0 309.454 2.068 10 0 DEAERO [NH3+]C[C@@H]1C[C@H](c2nc(-c3cccc(Br)c3)no2)CO1 ZINC000714085332 792284801 /nfs/dbraw/zinc/28/48/01/792284801.db2.gz KDNXLRGQKTZLMQ-ONGXEEELSA-N 1 0 324.178 2.330 10 0 DEAERO COc1ccc(Cl)cc1C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714364427 792312208 /nfs/dbraw/zinc/31/22/08/792312208.db2.gz HNXRWMMEAMAKMH-CYBMUJFWSA-N 1 0 317.838 2.406 10 0 DEAERO CC(C)([NH3+])CCC(=O)NCc1ncc(Br)s1 ZINC000714951967 792375254 /nfs/dbraw/zinc/37/52/54/792375254.db2.gz VIXFYPYAIVXNER-UHFFFAOYSA-N 1 0 306.229 2.039 10 0 DEAERO C[C@@H](CCOCc1ccccc1)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716120897 792556704 /nfs/dbraw/zinc/55/67/04/792556704.db2.gz HZQIRYDSRRMSKC-JEYLPNPQSA-N 1 0 311.447 2.147 10 0 DEAERO Nc1cc(F)ccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000716254219 792950554 /nfs/dbraw/zinc/95/05/54/792950554.db2.gz WIHCLIABWGMULL-OAHLLOKOSA-N 1 0 313.376 2.412 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)s1 ZINC000716552639 792972931 /nfs/dbraw/zinc/97/29/31/792972931.db2.gz FWNWTUJIYKZLDC-LLVKDONJSA-N 1 0 302.465 2.031 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)c(Cl)c1 ZINC000716564646 792974317 /nfs/dbraw/zinc/97/43/17/792974317.db2.gz HSBGJORXLCEGMY-LLVKDONJSA-N 1 0 316.854 2.315 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](O)C(F)F)C1 ZINC000716751400 793005954 /nfs/dbraw/zinc/00/59/54/793005954.db2.gz GJHOUKYMGMWDAL-IJLUTSLNSA-N 1 0 322.396 2.428 10 0 DEAERO C[C@H]([NH2+]CC[C@@H](O)C(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000716764899 793006995 /nfs/dbraw/zinc/00/69/95/793006995.db2.gz LRMIAXGYBCIUIT-QJPTWQEYSA-N 1 0 322.396 2.238 10 0 DEAERO Cc1nn(C)c(Cl)c1CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717150946 799256572 /nfs/dbraw/zinc/25/65/72/799256572.db2.gz FTVIXCILBCHWHS-ZJUUUORDSA-N 1 0 310.751 2.093 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400769678 801801029 /nfs/dbraw/zinc/80/10/29/801801029.db2.gz ZUUCFIYYKKMULP-IUODEOHRSA-N 1 0 312.454 2.383 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000401684939 801841428 /nfs/dbraw/zinc/84/14/28/801841428.db2.gz MUECVJLDTOIXQG-WCQYABFASA-N 1 0 306.410 2.386 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401732945 801845962 /nfs/dbraw/zinc/84/59/62/801845962.db2.gz PMWCZXQTBNHCNX-IOASZLSFSA-N 1 0 300.443 2.383 10 0 DEAERO Cn1cc(C[NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)cn1 ZINC000404650275 802027410 /nfs/dbraw/zinc/02/74/10/802027410.db2.gz QVQICCCKVYLDIE-UHFFFAOYSA-N 1 0 308.426 2.205 10 0 DEAERO CC(C)C[NH+]1CCC(C(=O)N=c2[nH]c3ccccc3[nH]2)CC1 ZINC000047409449 1078393622 /nfs/dbraw/zinc/39/36/22/1078393622.db2.gz ADPCFIFTJCMYRJ-UHFFFAOYSA-N 1 0 300.406 2.291 10 0 DEAERO C=CCOc1ccc(C[NH2+][C@H]2CCCCNC2=O)cc1OC ZINC000054174238 1078604405 /nfs/dbraw/zinc/60/44/05/1078604405.db2.gz FPBNLWMLYTXVPM-AWEZNQCLSA-N 1 0 304.390 2.018 10 0 DEAERO C[C@@H]1CCC[C@H](C[NH2+]CCS(=O)(=O)C2CCCCC2)O1 ZINC000700004271 1086300465 /nfs/dbraw/zinc/30/04/65/1086300465.db2.gz DAEPWWOVOVPISG-ZIAGYGMSSA-N 1 0 303.468 2.281 10 0 DEAERO CC(C)C[C@H](CO)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711488917 1087133741 /nfs/dbraw/zinc/13/37/41/1087133741.db2.gz ASJAXJUEPVIGNF-HZSPNIEDSA-N 1 0 300.443 2.286 10 0 DEAERO c1ccc(N2CCN(CCC[NH2+]Cc3cccnc3)CC2)cc1 ZINC000073803921 1080188198 /nfs/dbraw/zinc/18/81/98/1080188198.db2.gz CRLROMPFZNCXTE-UHFFFAOYSA-N 1 0 310.445 2.384 10 0 DEAERO CC(C)(CCS(=O)(=O)N1CCCC[C@H]1CC[NH3+])C1CC1 ZINC000717984874 1081856161 /nfs/dbraw/zinc/85/61/61/1081856161.db2.gz SYQAPVAUXMYKLR-AWEZNQCLSA-N 1 0 302.484 2.346 10 0 DEAERO Cc1c[nH]c(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1 ZINC000721939225 1084717566 /nfs/dbraw/zinc/71/75/66/1084717566.db2.gz KBSSLLLDGLSYGS-LBPRGKRZSA-N 1 0 308.426 2.453 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)C12CCC2 ZINC000720992268 1085280255 /nfs/dbraw/zinc/28/02/55/1085280255.db2.gz LPVWXVYOQAWOFC-CRWXNKLISA-N 1 0 310.438 2.183 10 0 DEAERO CC1(C)CN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000720749329 1086069622 /nfs/dbraw/zinc/06/96/22/1086069622.db2.gz UFMQJJOZYZDKIK-WSROAFLRSA-N 1 0 314.838 2.310 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CSc1nc2ccccc2s1 ZINC000700750365 1086331943 /nfs/dbraw/zinc/33/19/43/1086331943.db2.gz KFCYPFACYNRFCZ-UWVGGRQHSA-N 1 0 307.444 2.337 10 0 DEAERO [NH3+]C1(CNC(=O)/C=C\c2ccc(Cl)s2)CCOCC1 ZINC000701180501 1086354790 /nfs/dbraw/zinc/35/47/90/1086354790.db2.gz XQUCWVMDOGCOKT-RQOWECAXSA-N 1 0 300.811 2.039 10 0 DEAERO Cc1ccc(/C=C\C(=O)N[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000701356283 1086361090 /nfs/dbraw/zinc/36/10/90/1086361090.db2.gz VSJWWALKRVWTDW-QMAVJUDZSA-N 1 0 309.207 2.249 10 0 DEAERO Brc1cncc(C[NH2+]CCOC2CCOCC2)c1 ZINC000701388843 1086362810 /nfs/dbraw/zinc/36/28/10/1086362810.db2.gz GNEOXULMBILCKL-UHFFFAOYSA-N 1 0 315.211 2.129 10 0 DEAERO Brc1ccc(C[NH2+]CCOC2CCOCC2)o1 ZINC000701392648 1086363928 /nfs/dbraw/zinc/36/39/28/1086363928.db2.gz KOLGEXNQAZGLBY-UHFFFAOYSA-N 1 0 304.184 2.327 10 0 DEAERO C[NH+](C)CC[C@H]1CCN(c2ncnc(F)c2Br)C1 ZINC000701445376 1086364906 /nfs/dbraw/zinc/36/49/06/1086364906.db2.gz QEIHWLWCFCUIIG-VIFPVBQESA-N 1 0 317.206 2.156 10 0 DEAERO C[NH2+]C[C@@H](C)NC(=O)/C=C\c1ccc(C)cc1Br ZINC000701878155 1086389869 /nfs/dbraw/zinc/38/98/69/1086389869.db2.gz SGTGFHSPOTYSCV-JMEBYUIHSA-N 1 0 311.223 2.495 10 0 DEAERO C[C@@H]1COCC[C@@H]1[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701932729 1086395082 /nfs/dbraw/zinc/39/50/82/1086395082.db2.gz XHHFASBPZCNSIJ-ZBUZPQQSSA-N 1 0 310.438 2.401 10 0 DEAERO COC(=O)CCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702065716 1086401961 /nfs/dbraw/zinc/40/19/61/1086401961.db2.gz NHNAZZWXKUBSIX-MJGOQNOKSA-N 1 0 316.445 2.394 10 0 DEAERO C[NH+](C)C[C@H](N)c1nc(-c2cccc(Br)c2)no1 ZINC000702198698 1086414391 /nfs/dbraw/zinc/41/43/91/1086414391.db2.gz DOBUXESWPXYJLM-JTQLQIEISA-N 1 0 311.183 2.061 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc(Cc2ccccn2)no1 ZINC000702213612 1086414744 /nfs/dbraw/zinc/41/47/44/1086414744.db2.gz LZKCGKJLFQKZPJ-INIZCTEOSA-N 1 0 323.400 2.187 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCSC(C)(C)C ZINC000702411899 1086431404 /nfs/dbraw/zinc/43/14/04/1086431404.db2.gz IECYHWJIWNXIDB-OAHLLOKOSA-N 1 0 323.506 2.094 10 0 DEAERO Cc1ccc(N(C)C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000702409115 1086431562 /nfs/dbraw/zinc/43/15/62/1086431562.db2.gz OBIYOCUAOKWMFK-SFHVURJKSA-N 1 0 311.429 2.417 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCOCCF)CN(C(=O)OC(C)(C)C)C1 ZINC000702654484 1086451795 /nfs/dbraw/zinc/45/17/95/1086451795.db2.gz NVJUJHQFRXKPFP-OLZOCXBDSA-N 1 0 304.406 2.208 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCOCCF)C12CCC2 ZINC000702654068 1086452093 /nfs/dbraw/zinc/45/20/93/1086452093.db2.gz KIBIDPBELRMFRN-QWHCGFSZSA-N 1 0 316.417 2.398 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]CC[C@@H]1CCSC1 ZINC000704844501 1086593255 /nfs/dbraw/zinc/59/32/55/1086593255.db2.gz JVWDWVGZEVQTTH-SECBINFHSA-N 1 0 304.257 2.415 10 0 DEAERO Cc1ccc(C[NH2+]CCOCCN(C)C(=O)OC(C)(C)C)nc1 ZINC000705923062 1086626332 /nfs/dbraw/zinc/62/63/32/1086626332.db2.gz LQHVVATWBQGPHF-UHFFFAOYSA-N 1 0 323.437 2.363 10 0 DEAERO CO[C@H](C)C(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705933416 1086626449 /nfs/dbraw/zinc/62/64/49/1086626449.db2.gz KNZORVSZTGLVJE-ATZDWAIDSA-N 1 0 316.445 2.392 10 0 DEAERO C[C@H](CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707941467 1086675392 /nfs/dbraw/zinc/67/53/92/1086675392.db2.gz PACFVYHBRQUNGC-BARDWOONSA-N 1 0 312.454 2.383 10 0 DEAERO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1csc2ccccc12 ZINC000708222440 1086677736 /nfs/dbraw/zinc/67/77/36/1086677736.db2.gz HMTLKBPASDKRFI-UHFFFAOYSA-N 1 0 312.460 2.319 10 0 DEAERO [NH3+]Cc1nc2c(s1)CCN(Cc1csc(C3CC3)n1)C2 ZINC000709698371 1086681163 /nfs/dbraw/zinc/68/11/63/1086681163.db2.gz ZTURHBCBELFCAU-UHFFFAOYSA-N 1 0 306.460 2.494 10 0 DEAERO Brc1cnccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709847546 1086684950 /nfs/dbraw/zinc/68/49/50/1086684950.db2.gz AWCGKCZRBOEYIW-AWEZNQCLSA-N 1 0 310.239 2.420 10 0 DEAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1cn(C)cn1 ZINC000709934872 1086685629 /nfs/dbraw/zinc/68/56/29/1086685629.db2.gz OXSIOPDWXSUFKB-POZPTJLLSA-N 1 0 320.437 2.470 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N(C)CCCCCC[NH3+] ZINC000710695960 1086688233 /nfs/dbraw/zinc/68/82/33/1086688233.db2.gz UTBFGXMGRBNQHA-UHFFFAOYSA-N 1 0 302.415 2.274 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000710908410 1086690418 /nfs/dbraw/zinc/69/04/18/1086690418.db2.gz WSIJTKMPZXUYCO-STQMWFEESA-N 1 0 314.426 2.031 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000710900909 1086690804 /nfs/dbraw/zinc/69/08/04/1086690804.db2.gz DGRCDUBXTJDNBQ-ZDUSSCGKSA-N 1 0 314.426 2.127 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C ZINC000710957010 1086691262 /nfs/dbraw/zinc/69/12/62/1086691262.db2.gz GTXDOMKXUUSTHG-NWDGAFQWSA-N 1 0 302.415 2.031 10 0 DEAERO CO[C@](C)(C[NH2+][C@H]1CCC1(OC)OC)COCc1ccccc1 ZINC000710990572 1086692792 /nfs/dbraw/zinc/69/27/92/1086692792.db2.gz UIQWVTHXJBXCPL-DLBZAZTESA-N 1 0 323.433 2.349 10 0 DEAERO Cn1nccc1C[NH2+][C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000711386886 1087080842 /nfs/dbraw/zinc/08/08/42/1087080842.db2.gz TZOPANAKDJCOSA-GUYCJALGSA-N 1 0 320.437 2.299 10 0 DEAERO COc1ccncc1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711404045 1087088191 /nfs/dbraw/zinc/08/81/91/1087088191.db2.gz BSJOEDGSWVCCTQ-XBXGTLAGSA-N 1 0 321.421 2.483 10 0 DEAERO Cn1nccc1C[NH2+][C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711638402 1087179179 /nfs/dbraw/zinc/17/91/79/1087179179.db2.gz GCCWELJBAYPNNS-RHSMWYFYSA-N 1 0 320.437 2.442 10 0 DEAERO O=C(C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)NCc1ccccc1 ZINC000711911644 1087223816 /nfs/dbraw/zinc/22/38/16/1087223816.db2.gz KKJLNFIXHGAFIO-FUHWJXTLSA-N 1 0 302.418 2.098 10 0 DEAERO COCC[C@H](COC)[NH2+]Cc1nc(C)c(Br)s1 ZINC000719218692 1088909234 /nfs/dbraw/zinc/90/92/34/1088909234.db2.gz CWOUSTLEJDWNFM-SECBINFHSA-N 1 0 323.256 2.355 10 0 DEAERO Cc1nc(CN2CC[C@H]([C@H](C)[NH3+])C2)sc1Br ZINC000719253441 1088914844 /nfs/dbraw/zinc/91/48/44/1088914844.db2.gz OZVZZQDQTKKHNL-CBAPKCEASA-N 1 0 304.257 2.383 10 0 DEAERO Cc1nc(C[NH2+]C[C@H]2CC[C@H](O)C2)sc1Br ZINC000719303362 1088942307 /nfs/dbraw/zinc/94/23/07/1088942307.db2.gz BFZHACQQJPVXNU-IUCAKERBSA-N 1 0 305.241 2.465 10 0 DEAERO C[C@H]1[C@H](NC(=O)c2cc(F)ccc2Br)CC[N@@H+]1C ZINC000719384274 1089077392 /nfs/dbraw/zinc/07/73/92/1089077392.db2.gz CPDCMGVRCSDJPF-QPUJVOFHSA-N 1 0 315.186 2.411 10 0 DEAERO C[C@@H]1[C@@H](NC(=O)c2cscc2Br)CC[N@@H+]1C ZINC000719399050 1089086751 /nfs/dbraw/zinc/08/67/51/1089086751.db2.gz YNWWZCRNISESIF-XCBNKYQSSA-N 1 0 303.225 2.333 10 0 DEAERO C[C@H](CC(=O)NCc1ncc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000719403099 1089129578 /nfs/dbraw/zinc/12/95/78/1089129578.db2.gz WJUAAMLEYKRNMV-NXEZZACHSA-N 1 0 301.843 2.439 10 0 DEAERO COc1nsc(C[NH2+][C@H]2CCN(C)[C@H]2C)c1Br ZINC000719608231 1089327265 /nfs/dbraw/zinc/32/72/65/1089327265.db2.gz FDGDABWRTUJYMB-YUMQZZPRSA-N 1 0 320.256 2.096 10 0 DEAERO Cc1ccc(O)c(C[NH2+]CCOC(F)(F)C(F)(F)F)n1 ZINC000720222049 1089536772 /nfs/dbraw/zinc/53/67/72/1089536772.db2.gz CDTYPAIAQKLEEM-UHFFFAOYSA-N 1 0 300.227 2.357 10 0 DEAERO C[C@](O)(C[NH2+][C@@H]1CCO[C@H]1C1CC1)C(F)(F)C(F)(F)F ZINC000724022793 1143896437 /nfs/dbraw/zinc/89/64/37/1143896437.db2.gz MFHOHIOPIFSUTK-UTLUCORTSA-N 1 0 303.271 2.092 10 0 DEAERO CCCc1ccc([C@H]([NH3+])CSCCS(C)(=O)=O)cc1 ZINC000081768930 192323194 /nfs/dbraw/zinc/32/31/94/192323194.db2.gz XHMCDSDGNPGZGF-CQSZACIVSA-N 1 0 301.477 2.417 10 0 DEAERO C[NH2+][C@@H](CSCCS(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000081769002 192323486 /nfs/dbraw/zinc/32/34/86/192323486.db2.gz BNYQDNUWXPXPPX-AWEZNQCLSA-N 1 0 301.477 2.342 10 0 DEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000423686212 230535646 /nfs/dbraw/zinc/53/56/46/230535646.db2.gz VRHPGGHFCOWHGD-KCJUWKMLSA-N 1 0 303.189 2.320 10 0 DEAERO COc1ccc(Cl)cc1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000139694170 282101624 /nfs/dbraw/zinc/10/16/24/282101624.db2.gz NUKVEEVCJHVSHO-ZDUSSCGKSA-N 1 0 311.813 2.242 10 0 DEAERO CCN(CCNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1C ZINC000139603979 282101627 /nfs/dbraw/zinc/10/16/27/282101627.db2.gz SMAMMDCGEKBFFN-INIZCTEOSA-N 1 0 318.465 2.215 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@H]1Sc1nnnn1C1CCCC1 ZINC000081866685 192332771 /nfs/dbraw/zinc/33/27/71/192332771.db2.gz UVUWQRQQSOHFLK-QWHCGFSZSA-N 1 0 311.455 2.037 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1cnn(C)c1)OCCO2 ZINC000081893360 192333930 /nfs/dbraw/zinc/33/39/30/192333930.db2.gz WWGCZYBSZCEYGW-KGLIPLIRSA-N 1 0 311.451 2.176 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1Sc1cc(C)nn1C)OCCO2 ZINC000081884891 192334268 /nfs/dbraw/zinc/33/42/68/192334268.db2.gz IWOHFOOMVHKWEP-STQMWFEESA-N 1 0 311.451 2.094 10 0 DEAERO CC[NH2+][C@@H](CSc1n[nH]c(=O)n1C)c1ccc(C)c(C)c1 ZINC000081880586 192334449 /nfs/dbraw/zinc/33/44/49/192334449.db2.gz LYYJCISWCGYZOW-ZDUSSCGKSA-N 1 0 306.435 2.168 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1SCCCOC)OCCO2 ZINC000081887566 192334540 /nfs/dbraw/zinc/33/45/40/192334540.db2.gz LXNZOQXTHDCJDS-UONOGXRCSA-N 1 0 303.468 2.420 10 0 DEAERO OCc1ccc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)o1 ZINC000151228527 282113155 /nfs/dbraw/zinc/11/31/55/282113155.db2.gz FKIHZSHQJOVPPP-NSHDSACASA-N 1 0 307.781 2.189 10 0 DEAERO COc1cccc(S(=O)(=O)C[C@H]([NH3+])c2ccccc2C)c1 ZINC000081923464 192339837 /nfs/dbraw/zinc/33/98/37/192339837.db2.gz DAXWXVQWKLEDEE-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO COCCn1ncc(Br)c1CC[NH2+]CC(C)C ZINC000162893129 197598398 /nfs/dbraw/zinc/59/83/98/197598398.db2.gz OHWKDGLHVUUGHB-UHFFFAOYSA-N 1 0 304.232 2.080 10 0 DEAERO COc1ccc(S(=O)(=O)C[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000081923124 192340255 /nfs/dbraw/zinc/34/02/55/192340255.db2.gz OYSSRLNDOQJRPY-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO COCCN(CCOC)[C@H](C[NH3+])c1ccc(F)c(Cl)c1 ZINC000163807921 197649365 /nfs/dbraw/zinc/64/93/65/197649365.db2.gz IRBQGWYWMQWRLR-CQSZACIVSA-N 1 0 304.793 2.074 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)c2c(F)c(F)c(F)c(F)c2F)C[NH2+]1 ZINC000164595545 197657681 /nfs/dbraw/zinc/65/76/81/197657681.db2.gz HCBMURMAQNHMCJ-RITPCOANSA-N 1 0 308.250 2.252 10 0 DEAERO C[NH2+][C@H](C)CCS(=O)(=O)c1ccccc1Br ZINC000081932165 192341630 /nfs/dbraw/zinc/34/16/30/192341630.db2.gz BWWDKKDMCIKZBJ-SECBINFHSA-N 1 0 306.225 2.221 10 0 DEAERO CCC[C@@H]([NH3+])[C@H](CC)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935484 192343388 /nfs/dbraw/zinc/34/33/88/192343388.db2.gz ZAZNDKOFLTVCRH-DOMZBBRYSA-N 1 0 313.419 2.138 10 0 DEAERO C[NH2+][C@H](C)c1ccc(Sc2nc(N)cc(=O)[nH]2)cc1Cl ZINC000078938797 185131862 /nfs/dbraw/zinc/13/18/62/185131862.db2.gz RQBKSSVVHFCWRG-SSDOTTSWSA-N 1 0 310.810 2.437 10 0 DEAERO CCC[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC(N)=S)CC1 ZINC000079342432 185165852 /nfs/dbraw/zinc/16/58/52/185165852.db2.gz ZSDMYTKLCYEWDQ-CQSZACIVSA-N 1 0 313.511 2.413 10 0 DEAERO CC(C)[NH2+][C@@](C)(CCSc1ncccc1Cl)C(N)=O ZINC000079448847 185172261 /nfs/dbraw/zinc/17/22/61/185172261.db2.gz GGJXHRZYEDRWGN-ZDUSSCGKSA-N 1 0 301.843 2.459 10 0 DEAERO Cc1onc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000082337446 185176339 /nfs/dbraw/zinc/17/63/39/185176339.db2.gz OPYPHARBKAVGDO-UHFFFAOYSA-N 1 0 314.389 2.296 10 0 DEAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H](c1ccccc1)C1CC1 ZINC000158694732 295676705 /nfs/dbraw/zinc/67/67/05/295676705.db2.gz YPIIPBNFALCRKT-ROUUACIJSA-N 1 0 316.445 2.143 10 0 DEAERO C[C@H]1CN(c2cccc(I)c2)[C@@H](C)C[NH2+]1 ZINC000083085500 185212740 /nfs/dbraw/zinc/21/27/40/185212740.db2.gz JZMOJEFRDKJMBQ-UWVGGRQHSA-N 1 0 316.186 2.478 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000087383424 185223006 /nfs/dbraw/zinc/22/30/06/185223006.db2.gz PWFWJZNEHHEVOY-NSHDSACASA-N 1 0 314.227 2.128 10 0 DEAERO [NH3+]C[C@H](c1cccc(Br)c1)[C@H](O)C1CCOCC1 ZINC000087379038 185223170 /nfs/dbraw/zinc/22/31/70/185223170.db2.gz FUBZDMDJFWUXDX-ZIAGYGMSSA-N 1 0 314.223 2.279 10 0 DEAERO CCC[C@@H](C[NH3+])NC(=O)c1ccc(Br)cc1F ZINC000087387519 185223419 /nfs/dbraw/zinc/22/34/19/185223419.db2.gz PTZXHKVEVVVTJP-VIFPVBQESA-N 1 0 303.175 2.445 10 0 DEAERO C[NH+](C)CCCNC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000173033237 282184892 /nfs/dbraw/zinc/18/48/92/282184892.db2.gz SSYPPXGOGCETPB-UHFFFAOYSA-N 1 0 314.389 2.296 10 0 DEAERO O[C@H](C[NH2+]C1CC1)COc1ccc(Br)c(F)c1 ZINC000087430593 185224498 /nfs/dbraw/zinc/22/44/98/185224498.db2.gz KTPQVEZWZSECMJ-SECBINFHSA-N 1 0 304.159 2.080 10 0 DEAERO C[NH2+]CCCN(C)CC(=O)c1sccc1Br ZINC000087472064 185225914 /nfs/dbraw/zinc/22/59/14/185225914.db2.gz DHJPKRXTJVCVAV-UHFFFAOYSA-N 1 0 305.241 2.235 10 0 DEAERO COC(=O)CC[NH2+]Cc1cc(OC)ccc1Br ZINC000087787610 185231898 /nfs/dbraw/zinc/23/18/98/185231898.db2.gz RUDVHJGCFXJDNY-UHFFFAOYSA-N 1 0 302.168 2.110 10 0 DEAERO COc1ccc(Br)c(C[C@@H]([NH3+])c2cnn(C)c2)c1 ZINC000087795844 185232125 /nfs/dbraw/zinc/23/21/25/185232125.db2.gz GLEMWRVIMZKYAZ-CYBMUJFWSA-N 1 0 310.195 2.434 10 0 DEAERO CC(C)[C@H](C[NH3+])C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000087524658 185227814 /nfs/dbraw/zinc/22/78/14/185227814.db2.gz AITRBDKQOYUZSX-HIFRSBDPSA-N 1 0 310.463 2.487 10 0 DEAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2sccc2Br)C1 ZINC000087575766 185228617 /nfs/dbraw/zinc/22/86/17/185228617.db2.gz VWWGZTJKKKLLLS-YUMQZZPRSA-N 1 0 303.225 2.254 10 0 DEAERO C[NH2+][C@@H]1CCCN(Cc2sccc2Br)C1=O ZINC000087579799 185229075 /nfs/dbraw/zinc/22/90/75/185229075.db2.gz OAVSQKINNYUNMX-SECBINFHSA-N 1 0 303.225 2.221 10 0 DEAERO COCC[NH2+]CC1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000087643686 185229690 /nfs/dbraw/zinc/22/96/90/185229690.db2.gz BNFCKNZADRBSOL-UHFFFAOYSA-N 1 0 312.483 2.288 10 0 DEAERO COc1ccc(Br)c(C[C@@H]([NH3+])c2ncccn2)c1 ZINC000087791831 185232251 /nfs/dbraw/zinc/23/22/51/185232251.db2.gz OFADFKFQLFURMH-GFCCVEGCSA-N 1 0 308.179 2.490 10 0 DEAERO CC(C)(C[C@H]([NH3+])c1cc2c(cc1Cl)OCCCO2)C(N)=O ZINC000087722258 185230976 /nfs/dbraw/zinc/23/09/76/185230976.db2.gz XGUHNLYRRNYZTM-NSHDSACASA-N 1 0 312.797 2.403 10 0 DEAERO [NH3+]Cc1ccccc1CS(=O)(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000087768824 185231409 /nfs/dbraw/zinc/23/14/09/185231409.db2.gz AHODQNHQTWHAEU-BBRMVZONSA-N 1 0 308.447 2.240 10 0 DEAERO C[C@H](Nc1nc(NN)[nH+]cc1Br)c1nccs1 ZINC000087881415 185234520 /nfs/dbraw/zinc/23/45/20/185234520.db2.gz JGDZWRRPVAFMSD-YFKPBYRVSA-N 1 0 315.200 2.154 10 0 DEAERO CCC[NH2+][C@@H]1CCCCCC[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081974762 192347811 /nfs/dbraw/zinc/34/78/11/192347811.db2.gz YWFNZIMKAKUABU-ZIAGYGMSSA-N 1 0 319.467 2.055 10 0 DEAERO COCC[NH2+]Cc1cc(Br)ccc1OCOC ZINC000087888205 185234602 /nfs/dbraw/zinc/23/46/02/185234602.db2.gz IGRUJEWCVVZJCM-UHFFFAOYSA-N 1 0 304.184 2.168 10 0 DEAERO O[C@@H]1CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1nc2cccnc2s1 ZINC000328807382 231353815 /nfs/dbraw/zinc/35/38/15/231353815.db2.gz MBYXOPPWDJBAMY-IACUBPJLSA-N 1 0 319.430 2.053 10 0 DEAERO C[C@@H](C[NH3+])CC(=O)Nc1ccccc1I ZINC000087983151 185238031 /nfs/dbraw/zinc/23/80/31/185238031.db2.gz XGXHXGYKNWIKAS-MRVPVSSYSA-N 1 0 318.158 2.215 10 0 DEAERO O=S(=O)(Nc1ccccc1-c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000088056073 185238225 /nfs/dbraw/zinc/23/82/25/185238225.db2.gz BTCLUHKEBSXGBL-CQSZACIVSA-N 1 0 302.399 2.457 10 0 DEAERO COc1ccc(C[S@](=O)[C@H](C)C[NH3+])cc1Br ZINC000088067954 185238619 /nfs/dbraw/zinc/23/86/19/185238619.db2.gz DGPOCHQRDHXTKR-VPTHRUTESA-N 1 0 306.225 2.054 10 0 DEAERO COc1ccc(Br)cc1C[S@@](=O)CCC[NH3+] ZINC000088066640 185238689 /nfs/dbraw/zinc/23/86/89/185238689.db2.gz BGIQHFPYAVDXOG-MRXNPFEDSA-N 1 0 306.225 2.055 10 0 DEAERO COc1ccc(Br)c(C[C@@H]([NH3+])[C@@H]2CCOC2)c1 ZINC000087804339 185232561 /nfs/dbraw/zinc/23/25/61/185232561.db2.gz YUJRHSWSWZNZMV-NOZJJQNGSA-N 1 0 300.196 2.364 10 0 DEAERO Cc1cc(NCc2cccc(Br)c2)nc(NN)[nH+]1 ZINC000087864110 185233873 /nfs/dbraw/zinc/23/38/73/185233873.db2.gz DUDYSKVMYTVPQC-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO Cc1c(NCc2ccccc2Br)nc[nH+]c1NN ZINC000087864119 185233896 /nfs/dbraw/zinc/23/38/96/185233896.db2.gz SUTXJTZIQDEWBX-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO Cc1nc(NCc2ccccc2Br)cc(NN)[nH+]1 ZINC000087864115 185233980 /nfs/dbraw/zinc/23/39/80/185233980.db2.gz AMWMTHDGNLGBEY-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO C[NH2+][C@H]1CCCN(c2c(F)cc(Br)cc2F)C1=O ZINC000088172873 185240821 /nfs/dbraw/zinc/24/08/21/185240821.db2.gz UWHBYFGQBFYGEM-JTQLQIEISA-N 1 0 319.149 2.442 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1COc1ncc(Br)cc1N ZINC000088165381 185240960 /nfs/dbraw/zinc/24/09/60/185240960.db2.gz DLIDTXJDZVOKIZ-SNVBAGLBSA-N 1 0 300.200 2.289 10 0 DEAERO c1cn(C[C@H]2CCC[N@H+](Cc3nc4cccnc4s3)C2)nn1 ZINC000328899858 231380022 /nfs/dbraw/zinc/38/00/22/231380022.db2.gz XTBHGFYLPBDCFP-LBPRGKRZSA-N 1 0 314.418 2.195 10 0 DEAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1cc(C(N)=O)ccc1Cl ZINC000088276536 185244606 /nfs/dbraw/zinc/24/46/06/185244606.db2.gz IWTHYMFZWZLCDO-SNVBAGLBSA-N 1 0 311.813 2.389 10 0 DEAERO O=S(=O)(c1cccs1)N1CC[NH2+]CC12CCCCC2 ZINC000088396211 185248376 /nfs/dbraw/zinc/24/83/76/185248376.db2.gz MVGRQPWGWCDXKH-UHFFFAOYSA-N 1 0 300.449 2.045 10 0 DEAERO Nc1ccc(SC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c(F)c1 ZINC000088398464 185248412 /nfs/dbraw/zinc/24/84/12/185248412.db2.gz YOFYRLABYJYNPL-GJZGRUSLSA-N 1 0 306.406 2.431 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[NH2+]CC23CCCCC3)s1 ZINC000088396162 185248500 /nfs/dbraw/zinc/24/85/00/185248500.db2.gz HNWMAMKTEVICCR-UHFFFAOYSA-N 1 0 314.476 2.353 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)N(C)CCC(F)(F)F ZINC000088417591 185249296 /nfs/dbraw/zinc/24/92/96/185249296.db2.gz OFBQICWUAFKJNM-JTQLQIEISA-N 1 0 303.328 2.357 10 0 DEAERO C[C@]([NH3+])(C(=O)Nc1cnc(Br)cn1)c1ccccc1 ZINC000088446432 185251243 /nfs/dbraw/zinc/25/12/43/185251243.db2.gz ALLNPNRXDJPLHK-CYBMUJFWSA-N 1 0 321.178 2.052 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@H](C)C(C)(C)C)o1 ZINC000088544077 185256898 /nfs/dbraw/zinc/25/68/98/185256898.db2.gz DDMVSVQRNMXPLM-LLVKDONJSA-N 1 0 302.440 2.444 10 0 DEAERO CC[NH2+][C@H](Cc1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000088518995 185254535 /nfs/dbraw/zinc/25/45/35/185254535.db2.gz MMNSVIAJMLMZTC-WCQYABFASA-N 1 0 324.471 2.252 10 0 DEAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)NC)o1 ZINC000088540206 185255643 /nfs/dbraw/zinc/25/56/43/185255643.db2.gz NJCSLEOPHBJAAP-WCQYABFASA-N 1 0 300.424 2.246 10 0 DEAERO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)C1 ZINC000088540068 185255795 /nfs/dbraw/zinc/25/57/95/185255795.db2.gz JILGEHQJDXPLLD-RYUDHWBXSA-N 1 0 300.424 2.198 10 0 DEAERO CC(C)(C)[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CC2(C)C)o1 ZINC000088542947 185256010 /nfs/dbraw/zinc/25/60/10/185256010.db2.gz JZCRYMZZVHAXLQ-LLVKDONJSA-N 1 0 300.424 2.245 10 0 DEAERO C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2cccc(F)c2C[NH3+])C1 ZINC000088704751 185262742 /nfs/dbraw/zinc/26/27/42/185262742.db2.gz YGJLMWWVRLZUMF-GHMZBOCLSA-N 1 0 300.399 2.094 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)CCCOC)c1ccc(C)cc1 ZINC000081985821 192348839 /nfs/dbraw/zinc/34/88/39/192348839.db2.gz NRHLTUZWJSWXQC-INIZCTEOSA-N 1 0 313.463 2.487 10 0 DEAERO CC[NH2+][C@H](Cc1ncnn1C)Cc1ccccc1Br ZINC000088582095 185258627 /nfs/dbraw/zinc/25/86/27/185258627.db2.gz AMWCYHIMGOLHGW-LBPRGKRZSA-N 1 0 323.238 2.341 10 0 DEAERO Cc1ccc2c(N)c(C(=O)NC[C@H]3CC[N@@H+](C)C3)sc2c1 ZINC000088640955 185260674 /nfs/dbraw/zinc/26/06/74/185260674.db2.gz PEDWINNVADDQMR-LLVKDONJSA-N 1 0 303.431 2.473 10 0 DEAERO C[N@@H+]1CCC[C@H](NC(=O)c2sc3ccc(F)cc3c2N)C1 ZINC000088641145 185260826 /nfs/dbraw/zinc/26/08/26/185260826.db2.gz QUJXXKOTYUBUKM-JTQLQIEISA-N 1 0 307.394 2.447 10 0 DEAERO CS(=O)(=O)CCCn1ccc2cccc(C[NH2+]C3CC3)c21 ZINC000088731969 185263807 /nfs/dbraw/zinc/26/38/07/185263807.db2.gz OKZOMMXVYFAORY-UHFFFAOYSA-N 1 0 306.431 2.328 10 0 DEAERO O=S(=O)(N[C@H]1CC=CCC1)c1ccc(C[NH2+]C2CC2)cc1 ZINC000088749074 185264163 /nfs/dbraw/zinc/26/41/63/185264163.db2.gz ZUOPMIOMPNAZHQ-HNNXBMFYSA-N 1 0 306.431 2.326 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(C)C)o1 ZINC000088852552 185266765 /nfs/dbraw/zinc/26/67/65/185266765.db2.gz MAYUGDQMKAEZTI-ZDUSSCGKSA-N 1 0 300.424 2.198 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCC(C[NH2+]C2CC2)CC1 ZINC000088716878 185263115 /nfs/dbraw/zinc/26/31/15/185263115.db2.gz MQHMIRNUUBLOFG-UHFFFAOYSA-N 1 0 308.447 2.148 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000378227371 282214171 /nfs/dbraw/zinc/21/41/71/282214171.db2.gz WULMCMIXQXGLIQ-JHMPBIJASA-N 1 0 306.450 2.133 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](COc2cc(Br)ccc2F)O1 ZINC000165819166 197682975 /nfs/dbraw/zinc/68/29/75/197682975.db2.gz RVLXNKWFPZEBQS-NXEZZACHSA-N 1 0 304.159 2.473 10 0 DEAERO Cc1cc(C)c([C@@H]([NH3+])CS(=O)(=O)C2CCOCC2)c(C)c1 ZINC000081989442 192351170 /nfs/dbraw/zinc/35/11/70/192351170.db2.gz YAVVAPZNFPRRAP-HNNXBMFYSA-N 1 0 311.447 2.205 10 0 DEAERO CC[C@@H](CO)[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000166172450 197689203 /nfs/dbraw/zinc/68/92/03/197689203.db2.gz VUIHBBXSZVWOSY-RDBSUJKOSA-N 1 0 300.443 2.383 10 0 DEAERO C[NH+](C)CCN[C@@H](CO)c1cc(Cl)ccc1Br ZINC000090252639 185288135 /nfs/dbraw/zinc/28/81/35/185288135.db2.gz UOUBNCHWOHFOMB-LBPRGKRZSA-N 1 0 321.646 2.287 10 0 DEAERO [NH3+]CCc1nnc(CSc2ccccc2Br)[nH]1 ZINC000090247758 185288289 /nfs/dbraw/zinc/28/82/89/185288289.db2.gz OQEBNIXRIGHQEQ-UHFFFAOYSA-N 1 0 313.224 2.361 10 0 DEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000090272243 185288770 /nfs/dbraw/zinc/28/87/70/185288770.db2.gz XPFVIMKNHIQLEW-CZUORRHYSA-N 1 0 315.841 2.466 10 0 DEAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCCn2cncn2)cc1 ZINC000613235566 362051025 /nfs/dbraw/zinc/05/10/25/362051025.db2.gz FCYBYZUTORTDLZ-UHFFFAOYSA-N 1 0 316.405 2.413 10 0 DEAERO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@@H]1CCCO1 ZINC000221744749 299088775 /nfs/dbraw/zinc/08/87/75/299088775.db2.gz JJFVBYBJEQHYBV-XHSDSOJGSA-N 1 0 309.454 2.214 10 0 DEAERO C[C@](O)(CO)C[NH2+][C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000090285197 185289278 /nfs/dbraw/zinc/28/92/78/185289278.db2.gz XFFOIXZDJRQTQR-WCQYABFASA-N 1 0 306.189 2.150 10 0 DEAERO CC[C@H]([NH2+]C[C@](C)(O)CO)c1ccc(Br)cc1 ZINC000090284254 185289426 /nfs/dbraw/zinc/28/94/26/185289426.db2.gz YARJWJNPZNEAKJ-STQMWFEESA-N 1 0 302.212 2.233 10 0 DEAERO CCOc1cc(CN(CC)C2C[NH2+]C2)ccc1OC(F)F ZINC000090290699 185289550 /nfs/dbraw/zinc/28/95/50/185289550.db2.gz GXRLIGAWTVQNGN-UHFFFAOYSA-N 1 0 300.349 2.480 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000090293220 185289899 /nfs/dbraw/zinc/28/98/99/185289899.db2.gz WHGZOKAZIRNTLF-UHFFFAOYSA-N 1 0 322.352 2.078 10 0 DEAERO CCCN(Cc1ccc(OC(F)F)c(OC)c1)C1C[NH2+]C1 ZINC000090293962 185289934 /nfs/dbraw/zinc/28/99/34/185289934.db2.gz QQIMHPUHFOPHQV-UHFFFAOYSA-N 1 0 300.349 2.480 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(Cl)s1 ZINC000090331645 185291419 /nfs/dbraw/zinc/29/14/19/185291419.db2.gz MKANAMCJUXLMJY-KXUCPTDWSA-N 1 0 320.867 2.020 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000090335506 185291540 /nfs/dbraw/zinc/29/15/40/185291540.db2.gz ZXFDLSZONKZOQU-YUMQZZPRSA-N 1 0 302.205 2.392 10 0 DEAERO COc1ccc(Cl)cc1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1(C)C ZINC000090336385 185291733 /nfs/dbraw/zinc/29/17/33/185291733.db2.gz ZSHWIPCHIDBUPA-GXFFZTMASA-N 1 0 308.809 2.419 10 0 DEAERO C[C@@H]([NH3+])CCSCC(=O)NC(=O)c1ccccc1Cl ZINC000090346767 185292137 /nfs/dbraw/zinc/29/21/37/185292137.db2.gz HGYOTZVORUJJLZ-SECBINFHSA-N 1 0 300.811 2.067 10 0 DEAERO C[C@@H]([NH3+])CCSCC(=O)Nc1ccc(Br)cn1 ZINC000090346281 185292205 /nfs/dbraw/zinc/29/22/05/185292205.db2.gz XWSDWNSWQNZJLG-MRVPVSSYSA-N 1 0 318.240 2.253 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1c1nc(CSc2ccc(Cl)cc2)no1 ZINC000090365062 185292686 /nfs/dbraw/zinc/29/26/86/185292686.db2.gz CTEPPMZYCDNDTI-QWRGUYRKSA-N 1 0 311.794 2.456 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000090487335 185298880 /nfs/dbraw/zinc/29/88/80/185298880.db2.gz CYNCWAMXDSQKLD-CMPLNLGQSA-N 1 0 305.403 2.168 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)N(CC)Cc1cccc(Cl)c1 ZINC000090490127 185299050 /nfs/dbraw/zinc/29/90/50/185299050.db2.gz NWVQKKBZZFKTIC-GJZGRUSLSA-N 1 0 310.825 2.313 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000090380642 185293429 /nfs/dbraw/zinc/29/34/29/185293429.db2.gz DRWJISGHBCHLDN-NXEZZACHSA-N 1 0 306.309 2.211 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000090379213 185293578 /nfs/dbraw/zinc/29/35/78/185293578.db2.gz IKFPSKSMKGYSNV-CBAPKCEASA-N 1 0 319.586 2.015 10 0 DEAERO C[C@H](NC(=O)[C@@H]1COC[C@@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000090383678 185293847 /nfs/dbraw/zinc/29/38/47/185293847.db2.gz XHWVUVWNIMSSPX-VMAXQDLPSA-N 1 0 303.189 2.144 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000090434556 185296243 /nfs/dbraw/zinc/29/62/43/185296243.db2.gz NMMRCPIVAFGNPA-MFKMUULPSA-N 1 0 317.216 2.186 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000090433007 185296283 /nfs/dbraw/zinc/29/62/83/185296283.db2.gz YXPFUKYYRIFPKT-ONGXEEELSA-N 1 0 323.443 2.191 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(SC(F)F)cc2)COC[C@@H]1[NH3+] ZINC000090585428 185305191 /nfs/dbraw/zinc/30/51/91/185305191.db2.gz IXXBDEMFALRKIZ-GXFFZTMASA-N 1 0 302.346 2.304 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090590499 185305350 /nfs/dbraw/zinc/30/53/50/185305350.db2.gz RGRYJIDMDZOHIN-TZMCWYRMSA-N 1 0 317.216 2.316 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)COC[C@H]1[NH3+] ZINC000090597733 185305710 /nfs/dbraw/zinc/30/57/10/185305710.db2.gz GXZXBSXPKCZWQU-PWSUYJOCSA-N 1 0 306.259 2.147 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)COC[C@H]1[NH3+] ZINC000090599246 185305838 /nfs/dbraw/zinc/30/58/38/185305838.db2.gz FRHSYZLNQRFVGS-MFKMUULPSA-N 1 0 320.723 2.244 10 0 DEAERO Cc1ccc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])cc1Br ZINC000090604361 185306123 /nfs/dbraw/zinc/30/61/23/185306123.db2.gz TZDPEWYBLHCDHA-DGCLKSJQSA-N 1 0 313.195 2.060 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000090543455 185302009 /nfs/dbraw/zinc/30/20/09/185302009.db2.gz CGIHDSYKVRRKQV-LSDHHAIUSA-N 1 0 310.825 2.013 10 0 DEAERO COC(=O)C1CCC(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000179472824 282226133 /nfs/dbraw/zinc/22/61/33/282226133.db2.gz GMMPMIKWHFYMFG-QQFBHYJXSA-N 1 0 324.465 2.204 10 0 DEAERO Cc1cc(C(=O)N2CCCSC[C@H]2C[NH+]2CCCCC2)no1 ZINC000090701633 185310705 /nfs/dbraw/zinc/31/07/05/185310705.db2.gz JQHAQXWEFWODPB-CQSZACIVSA-N 1 0 323.462 2.417 10 0 DEAERO [NH3+]CCc1nc2ccccc2n1-c1ncncc1Br ZINC000090782700 185311849 /nfs/dbraw/zinc/31/18/49/185311849.db2.gz OTEUAAYXDLDUCI-UHFFFAOYSA-N 1 0 318.178 2.079 10 0 DEAERO Cc1cc(C)c(C(=O)NC[C@H]2CN(C3CC3)CCO2)c(C)c1 ZINC000090630834 185307539 /nfs/dbraw/zinc/30/75/39/185307539.db2.gz VCVBVSIOHCACET-INIZCTEOSA-N 1 0 302.418 2.205 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000092392188 185315511 /nfs/dbraw/zinc/31/55/11/185315511.db2.gz JHWJKTWXFIDNAK-RUXDESIVSA-N 1 0 300.443 2.429 10 0 DEAERO C[C@@H](CC[NH3+])S(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000167004812 197702500 /nfs/dbraw/zinc/70/25/00/197702500.db2.gz XOPMIJYRPCAAEW-QMMMGPOBSA-N 1 0 324.215 2.240 10 0 DEAERO C[C@@H](CO)[C@H](C)[NH2+]CCOc1cccc(Br)c1 ZINC000167087135 197703561 /nfs/dbraw/zinc/70/35/61/197703561.db2.gz LIUIZLONGSXKSJ-QWRGUYRKSA-N 1 0 302.212 2.434 10 0 DEAERO CCC(CC)[C@@H](O)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075314594 282239788 /nfs/dbraw/zinc/23/97/88/282239788.db2.gz QNHUJHOODNLBED-UYTSQGDYSA-N 1 0 311.470 2.098 10 0 DEAERO COc1cc(C[NH+]2CCC(n3cncn3)CC2)cc(OC)c1 ZINC000092647830 185331286 /nfs/dbraw/zinc/33/12/86/185331286.db2.gz ZUBCBKBWVQOKCW-UHFFFAOYSA-N 1 0 302.378 2.132 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nnc(C(F)F)s1 ZINC000092598962 185328383 /nfs/dbraw/zinc/32/83/83/185328383.db2.gz INNBNZTXHOBOJN-JGVFFNPUSA-N 1 0 317.365 2.176 10 0 DEAERO CCOc1ccc(Cl)cc1NC(=O)CN1CCC([NH3+])CC1 ZINC000092714012 185335948 /nfs/dbraw/zinc/33/59/48/185335948.db2.gz XHACXGONTKRGIX-UHFFFAOYSA-N 1 0 311.813 2.100 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(c3nc(Cl)nnc3Cl)CC[C@@H]21 ZINC000167621893 197711502 /nfs/dbraw/zinc/71/15/02/197711502.db2.gz LBXUULRFAFXYCL-BDAKNGLRSA-N 1 0 302.209 2.099 10 0 DEAERO Cc1sc(C[NH3+])cc1S(=O)(=O)NCC1C(C)(C)C1(C)C ZINC000092833186 185344799 /nfs/dbraw/zinc/34/47/99/185344799.db2.gz DNSBSUMKAAWQCQ-UHFFFAOYSA-N 1 0 316.492 2.476 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)cs1 ZINC000092833269 185344838 /nfs/dbraw/zinc/34/48/38/185344838.db2.gz KQOCLSFJAQHGCJ-UHFFFAOYSA-N 1 0 302.465 2.180 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](S(=O)(=O)c1cccs1)C2 ZINC000092859140 185346981 /nfs/dbraw/zinc/34/69/81/185346981.db2.gz LARLLJXLFZUQKO-TZMCWYRMSA-N 1 0 309.412 2.155 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)Cc2ncn(-c3ccccc3)n2)[C@H](C)C1 ZINC000092804881 185342529 /nfs/dbraw/zinc/34/25/29/185342529.db2.gz RELKKXJOQRKXHT-NVXWUHKLSA-N 1 0 313.449 2.429 10 0 DEAERO COc1ccc(F)cc1CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000186298389 282271931 /nfs/dbraw/zinc/27/19/31/282271931.db2.gz MZLUWUGJKNTNTO-ZDUSSCGKSA-N 1 0 323.412 2.365 10 0 DEAERO COCC[C@@H](C)[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000181390579 199288996 /nfs/dbraw/zinc/28/89/96/199288996.db2.gz WJZITYMBTYEFID-ZWNOBZJWSA-N 1 0 302.212 2.497 10 0 DEAERO C[NH2+]Cc1sc2ccccc2c1S(=O)(=O)NC1(C)CC1 ZINC000168550375 197724677 /nfs/dbraw/zinc/72/46/77/197724677.db2.gz HBQDUQMFEVEDJY-UHFFFAOYSA-N 1 0 310.444 2.452 10 0 DEAERO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000181461384 199300611 /nfs/dbraw/zinc/30/06/11/199300611.db2.gz OESPCXPILWZQOJ-XKQJLSEDSA-N 1 0 320.408 2.414 10 0 DEAERO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@H](O)CSC ZINC000187805888 282290837 /nfs/dbraw/zinc/29/08/37/282290837.db2.gz MGTNWLOZWRILAB-ZFWWWQNUSA-N 1 0 311.447 2.022 10 0 DEAERO C[N@H+](CCNC(=O)c1cn2ccnc2s1)Cc1ccccc1 ZINC000188359625 282298304 /nfs/dbraw/zinc/29/83/04/282298304.db2.gz FHKDFRGVXZWBQB-UHFFFAOYSA-N 1 0 314.414 2.258 10 0 DEAERO COc1cc(CN2CCCNC(=O)[C@H]2C)ccc1OC(F)F ZINC000189086790 282307033 /nfs/dbraw/zinc/30/70/33/282307033.db2.gz CENHFXWUFAMYRU-SNVBAGLBSA-N 1 0 314.332 2.007 10 0 DEAERO CS[C@@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@@H]1[NH+]1CCCC1 ZINC000614279333 362337912 /nfs/dbraw/zinc/33/79/12/362337912.db2.gz VBQZMBPXCWWLCG-LSDHHAIUSA-N 1 0 307.463 2.283 10 0 DEAERO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)c2ccon2)CC1 ZINC000328636630 530005127 /nfs/dbraw/zinc/00/51/27/530005127.db2.gz ODVUCNUIHIIFKR-OAHLLOKOSA-N 1 0 314.389 2.196 10 0 DEAERO CN(Cc1cocn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191937744 530019177 /nfs/dbraw/zinc/01/91/77/530019177.db2.gz YKUQUCJLAXTWDF-UHFFFAOYSA-N 1 0 300.406 2.209 10 0 DEAERO O[C@H](C[NH2+]CC1CC(O)C1)COc1ccc(Cl)c(Cl)c1 ZINC000091525002 539419824 /nfs/dbraw/zinc/41/98/24/539419824.db2.gz QWJJXVLZJDISLQ-VQXHTEKXSA-N 1 0 320.216 2.094 10 0 DEAERO COc1nc(Cl)nc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC000061514297 190694196 /nfs/dbraw/zinc/69/41/96/190694196.db2.gz VMUWPFNZXZKYHH-YGRLFVJLSA-N 1 0 313.833 2.456 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)C)nn2C)[C@@H](C)C1 ZINC000245407627 282385498 /nfs/dbraw/zinc/38/54/98/282385498.db2.gz CANBSXGPCXEEHJ-DZGCQCFKSA-N 1 0 306.454 2.346 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(C)C)nn2C)[C@@H](C)C1 ZINC000245407628 282385511 /nfs/dbraw/zinc/38/55/11/282385511.db2.gz CANBSXGPCXEEHJ-ZFWWWQNUSA-N 1 0 306.454 2.346 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[C@@H](C(=O)OC)C2)[C@H](C)C1 ZINC000245423351 282386725 /nfs/dbraw/zinc/38/67/25/282386725.db2.gz JJBNXFPPHLMTQR-FPCVCCKLSA-N 1 0 324.465 2.155 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000181726363 199344557 /nfs/dbraw/zinc/34/45/57/199344557.db2.gz HZFHMTRFVXWUGC-HLLBOEOZSA-N 1 0 319.449 2.234 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(CC(C)C)C1CC1 ZINC000245425903 282387215 /nfs/dbraw/zinc/38/72/15/282387215.db2.gz KWYNEQMYYQRIJE-WBVHZDCISA-N 1 0 307.482 2.192 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C(=O)OC)c1ccccc1F ZINC000245471986 282390617 /nfs/dbraw/zinc/39/06/17/282390617.db2.gz OLWAIXBNVUZIIA-CZUORRHYSA-N 1 0 308.397 2.456 10 0 DEAERO Cc1nc(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)sc1C ZINC000245493056 282391626 /nfs/dbraw/zinc/39/16/26/282391626.db2.gz KTLGMWJFAVEGJL-MFKMUULPSA-N 1 0 308.451 2.138 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245500573 282392388 /nfs/dbraw/zinc/39/23/88/282392388.db2.gz AQTJMPXWNJOMJH-YIDVYQOGSA-N 1 0 309.454 2.211 10 0 DEAERO O=C(N1CCC[C@@H](C(F)(F)F)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244667 185563179 /nfs/dbraw/zinc/56/31/79/185563179.db2.gz SWKVPNOHTTWHPI-PSASIEDQSA-N 1 0 318.261 2.329 10 0 DEAERO CCN(C[C@H]1CCCO1)c1nc2sccn2c1C[C@@H](C)[NH3+] ZINC000111503240 185609664 /nfs/dbraw/zinc/60/96/64/185609664.db2.gz JOAYCJOOHHFGAT-VXGBXAGGSA-N 1 0 308.451 2.291 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000136431338 539517828 /nfs/dbraw/zinc/51/78/28/539517828.db2.gz RLNDMFHXQVRTGF-CYBMUJFWSA-N 1 0 300.349 2.320 10 0 DEAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(C)ccc1C ZINC000111720277 185631442 /nfs/dbraw/zinc/63/14/42/185631442.db2.gz VFUGJRVQSRRZMH-HNNXBMFYSA-N 1 0 310.463 2.456 10 0 DEAERO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc3ccccc32)CC[NH2+]1 ZINC000235440990 201916680 /nfs/dbraw/zinc/91/66/80/201916680.db2.gz BILJCFFKDAHBHH-OCCSQVGLSA-N 1 0 304.415 2.259 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000181847822 199361876 /nfs/dbraw/zinc/36/18/76/199361876.db2.gz UPFSOYQMDPUXCN-GFCCVEGCSA-N 1 0 318.343 2.050 10 0 DEAERO CCCC[C@H](C[NH3+])NS(=O)(=O)c1c(C)cc(F)cc1C ZINC000229383409 535035301 /nfs/dbraw/zinc/03/53/01/535035301.db2.gz NJFGJXRPYAGKKT-CYBMUJFWSA-N 1 0 302.415 2.238 10 0 DEAERO C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000155370194 539559132 /nfs/dbraw/zinc/55/91/32/539559132.db2.gz VKSHVJUOVMTKRE-STQMWFEESA-N 1 0 316.380 2.176 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2coc(-c3cccc(F)c3)n2)CCO1 ZINC000069969661 190844655 /nfs/dbraw/zinc/84/46/55/190844655.db2.gz MBACVYBESRUKMJ-MRXNPFEDSA-N 1 0 319.380 2.243 10 0 DEAERO [NH3+]C[C@@H]1CC(=O)N(c2cc(Br)ccc2Cl)C1 ZINC000070052541 190854367 /nfs/dbraw/zinc/85/43/67/190854367.db2.gz QAQURKQUGITIBW-ZETCQYMHSA-N 1 0 303.587 2.414 10 0 DEAERO C[C@@H]([NH2+]CCn1cncn1)c1cc(Br)cs1 ZINC000279808329 215165135 /nfs/dbraw/zinc/16/51/35/215165135.db2.gz XBAOFFILNLDFQY-MRVPVSSYSA-N 1 0 301.213 2.453 10 0 DEAERO C[NH2+]CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C)ccc1F ZINC000070192553 190870863 /nfs/dbraw/zinc/87/08/63/190870863.db2.gz QFSJKMRBGIKNQE-ZDUSSCGKSA-N 1 0 314.426 2.287 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000287000924 219263665 /nfs/dbraw/zinc/26/36/65/219263665.db2.gz KCYWSXUKLKSKGG-NWDGAFQWSA-N 1 0 314.476 2.128 10 0 DEAERO CCC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(Br)o1 ZINC000070286082 190877610 /nfs/dbraw/zinc/87/76/10/190877610.db2.gz WYQGWIOLWFULNF-DGCLKSJQSA-N 1 0 317.227 2.413 10 0 DEAERO [NH3+]C[C@@H]1OCCN(C2CC2)[C@@H]1c1ccc(Br)cc1 ZINC000070289182 190877713 /nfs/dbraw/zinc/87/77/13/190877713.db2.gz TVLZLNGUSCQFER-UONOGXRCSA-N 1 0 311.223 2.312 10 0 DEAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000616634546 362901625 /nfs/dbraw/zinc/90/16/25/362901625.db2.gz VCAWLLAISCPKDR-HNNXBMFYSA-N 1 0 323.412 2.297 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)c2coc(Br)c2)C[N@@H+]1C1CC1 ZINC000177185270 539629516 /nfs/dbraw/zinc/62/95/16/539629516.db2.gz PYCPSSTWRRXZDF-PSASIEDQSA-N 1 0 313.195 2.397 10 0 DEAERO CCc1nn(C)cc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000179611792 539641765 /nfs/dbraw/zinc/64/17/65/539641765.db2.gz YQIBEKCXIJSOJN-UHFFFAOYSA-N 1 0 324.432 2.405 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC3CC3)c2)[C@H](C)C1 ZINC000177869144 539633137 /nfs/dbraw/zinc/63/31/37/539633137.db2.gz ZPKDVZCNGXXPTF-CZUORRHYSA-N 1 0 319.453 2.487 10 0 DEAERO C[NH2+]C1(C)CCN(Cc2c(Br)c(C)nn2C)CC1 ZINC000129893806 185919938 /nfs/dbraw/zinc/91/99/38/185919938.db2.gz ZARUXOCTHRBIPR-UHFFFAOYSA-N 1 0 315.259 2.065 10 0 DEAERO C[C@@H](NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1)c1nccs1 ZINC000080343706 192149843 /nfs/dbraw/zinc/14/98/43/192149843.db2.gz CAUSGIGIURQSAH-VHSXEESVSA-N 1 0 311.432 2.202 10 0 DEAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c(F)c2)n(C)n1 ZINC000181367671 539651189 /nfs/dbraw/zinc/65/11/89/539651189.db2.gz XFMRAQPWDWWECO-LBPRGKRZSA-N 1 0 304.369 2.465 10 0 DEAERO C[C@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000185246403 539670834 /nfs/dbraw/zinc/67/08/34/539670834.db2.gz FOQYCKDKDZCOCS-ZDUSSCGKSA-N 1 0 321.421 2.112 10 0 DEAERO CC[NH2+]CCN(CC)c1nccn2nc(C(F)(F)F)cc12 ZINC000130202618 185945641 /nfs/dbraw/zinc/94/56/41/185945641.db2.gz ALYAVOGLMUDRBH-UHFFFAOYSA-N 1 0 301.316 2.184 10 0 DEAERO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC([NH+](C)C)CC1 ZINC000193814071 539715457 /nfs/dbraw/zinc/71/54/57/539715457.db2.gz JJVQOBWZMPITMW-CQSZACIVSA-N 1 0 321.440 2.199 10 0 DEAERO Cc1ccc(NC(=O)[C@H](C)N2CCC([NH+](C)C)CC2)cc1F ZINC000193822393 539715541 /nfs/dbraw/zinc/71/55/41/539715541.db2.gz ZEXVGAQOQBSBAP-ZDUSSCGKSA-N 1 0 307.413 2.487 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000194640232 539718788 /nfs/dbraw/zinc/71/87/88/539718788.db2.gz OSWGGZPCQQLPGX-OAHLLOKOSA-N 1 0 315.417 2.028 10 0 DEAERO COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H](C)N1CCOCC1 ZINC000194840457 539719847 /nfs/dbraw/zinc/71/98/47/539719847.db2.gz XUGHOBLFNQJFQW-RHSMWYFYSA-N 1 0 304.434 2.383 10 0 DEAERO Cc1c(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)ccn1C ZINC000195282380 539721442 /nfs/dbraw/zinc/72/14/42/539721442.db2.gz QELBSBYXXZEKHR-HNNXBMFYSA-N 1 0 319.449 2.097 10 0 DEAERO [NH3+][C@@H](C[S@](=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000084030528 192396592 /nfs/dbraw/zinc/39/65/92/192396592.db2.gz ZZHCSZPSVCSUHK-PRWKNARSSA-N 1 0 309.412 2.327 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Br)c(O)c1 ZINC000235624223 539737056 /nfs/dbraw/zinc/73/70/56/539737056.db2.gz YZZDCQMMJFBIIP-LDYMZIIASA-N 1 0 313.195 2.025 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)[C@H](C)C2CC2)c1 ZINC000138517176 186017859 /nfs/dbraw/zinc/01/78/59/186017859.db2.gz YBXDTLLALLITNX-SECBINFHSA-N 1 0 318.389 2.103 10 0 DEAERO CCC(CC)N(C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138528137 186017989 /nfs/dbraw/zinc/01/79/89/186017989.db2.gz MSXKGLKQENYDGH-UHFFFAOYSA-N 1 0 306.378 2.233 10 0 DEAERO COCCn1c(C[NH3+])nnc1-c1ccc(Cl)c(Cl)c1 ZINC000133783953 186011963 /nfs/dbraw/zinc/01/19/63/186011963.db2.gz VNYVYWOMARNOAS-UHFFFAOYSA-N 1 0 301.177 2.357 10 0 DEAERO CCC1(NS(=O)(=O)c2cc(C[NH3+])cc(F)c2F)CCC1 ZINC000139316701 186021487 /nfs/dbraw/zinc/02/14/87/186021487.db2.gz KBXVBDMQPDDXAL-UHFFFAOYSA-N 1 0 304.362 2.035 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)C2CCC2)c1 ZINC000139328286 186021500 /nfs/dbraw/zinc/02/15/00/186021500.db2.gz LEEUZHXWMRQBHA-UHFFFAOYSA-N 1 0 318.389 2.247 10 0 DEAERO C[C@]([NH3+])(c1nc(-c2ccc(Br)cn2)no1)C1CC1 ZINC000139791553 186023810 /nfs/dbraw/zinc/02/38/10/186023810.db2.gz GUSLTZZOYPLESY-GFCCVEGCSA-N 1 0 309.167 2.478 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3ccc(Br)cn3)no2)C1 ZINC000139792682 186023896 /nfs/dbraw/zinc/02/38/96/186023896.db2.gz LXXJVYIYOPZFQF-VXNVDRBHSA-N 1 0 309.167 2.489 10 0 DEAERO Cc1c(C(F)(F)F)cccc1S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000142836508 186032322 /nfs/dbraw/zinc/03/23/22/186032322.db2.gz CLPIIPATJMAARA-UHFFFAOYSA-N 1 0 324.368 2.420 10 0 DEAERO CC(C)CCCCNS(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000147416243 186039515 /nfs/dbraw/zinc/03/95/15/186039515.db2.gz LKZHIOBVZDJMNA-UHFFFAOYSA-N 1 0 302.415 2.389 10 0 DEAERO CCc1ccc(S(=O)(=O)NCC(F)F)cc1C[NH2+]C(C)C ZINC000148191960 186044137 /nfs/dbraw/zinc/04/41/37/186044137.db2.gz APOKCFRPVPMQTK-UHFFFAOYSA-N 1 0 320.405 2.290 10 0 DEAERO Cc1ccc([C@@H]2NCC(=O)N2[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000143962542 186034095 /nfs/dbraw/zinc/03/40/95/186034095.db2.gz CCMQFIGKVRXNBI-CZUORRHYSA-N 1 0 309.479 2.463 10 0 DEAERO CC[C@@H]1N[C@@H](c2cccs2)N(C[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000144354233 186035368 /nfs/dbraw/zinc/03/53/68/186035368.db2.gz QYZDKKKYHJEZHD-KCQAQPDRSA-N 1 0 307.463 2.441 10 0 DEAERO C[NH2+]Cc1cc(Cl)cc(S(=O)(=O)N(C)C2CCC2)c1F ZINC000144648970 186035950 /nfs/dbraw/zinc/03/59/50/186035950.db2.gz XBGWSYOQFJYZEZ-UHFFFAOYSA-N 1 0 320.817 2.372 10 0 DEAERO CC[C@H](C)[C@@H]1N[C@@H](c2ccsc2)N([C@@H]2CC[N@H+](C)C2)C1=O ZINC000145196772 186036442 /nfs/dbraw/zinc/03/64/42/186036442.db2.gz SFXREVJMDSHKBF-PMOUVXMZSA-N 1 0 307.463 2.297 10 0 DEAERO CC[NH+]1CCC(CN2C(=O)[C@@H](C)N[C@@H]2c2cccs2)CC1 ZINC000145512007 186037164 /nfs/dbraw/zinc/03/71/64/186037164.db2.gz IDKDMMILVKFCSB-DOMZBBRYSA-N 1 0 307.463 2.299 10 0 DEAERO C[C@@H](CS(=O)(=O)N(CC[NH3+])C1CCCC1)c1ccccc1 ZINC000149283687 186049276 /nfs/dbraw/zinc/04/92/76/186049276.db2.gz LQGHRHXSEWSXDD-AWEZNQCLSA-N 1 0 310.463 2.323 10 0 DEAERO C[C@@H](CS(=O)(=O)NCC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000149371547 186049417 /nfs/dbraw/zinc/04/94/17/186049417.db2.gz LPQCYKQYHVPNRP-GOEBONIOSA-N 1 0 310.463 2.242 10 0 DEAERO C[NH2+]CC1CCN(S(=O)(=O)C[C@H](C)c2ccccc2)CC1 ZINC000149500015 186050376 /nfs/dbraw/zinc/05/03/76/186050376.db2.gz WIYDGHJMIFAUKT-AWEZNQCLSA-N 1 0 310.463 2.051 10 0 DEAERO C[C@@H](CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000149512763 186051145 /nfs/dbraw/zinc/05/11/45/186051145.db2.gz QCJPQZVZQLRVIH-NUEKZKHPSA-N 1 0 310.463 2.227 10 0 DEAERO C[C@@H]1CCC[C@](C[NH3+])(NS(=O)(=O)CCc2ccccc2)C1 ZINC000149590840 186051364 /nfs/dbraw/zinc/05/13/64/186051364.db2.gz JBHHVYDAJFRYLW-ZBFHGGJFSA-N 1 0 310.463 2.056 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000149791669 186052946 /nfs/dbraw/zinc/05/29/46/186052946.db2.gz LYCNUKNQBQMNFU-SNVBAGLBSA-N 1 0 307.785 2.234 10 0 DEAERO CCC[C@@](O)(C[NH3+])Cc1cc(Br)ccc1OC ZINC000150006424 186054306 /nfs/dbraw/zinc/05/43/06/186054306.db2.gz ANPCMJQSEDZAGW-ZDUSSCGKSA-N 1 0 302.212 2.490 10 0 DEAERO CC[NH2+][C@H](c1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000150130470 186054940 /nfs/dbraw/zinc/05/49/40/186054940.db2.gz PRGSHDSAGABGCU-OQPBUACISA-N 1 0 307.337 2.189 10 0 DEAERO CCc1nn(C)c(C[C@](O)(C[NH3+])C(C)(C)C)c1Br ZINC000150204030 186055602 /nfs/dbraw/zinc/05/56/02/186055602.db2.gz ATYCGDKPQZAHNX-ZDUSSCGKSA-N 1 0 318.259 2.023 10 0 DEAERO CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2s1 ZINC000155659736 186100507 /nfs/dbraw/zinc/10/05/07/186100507.db2.gz HVXFZFWBLBVGQK-JQWIXIFHSA-N 1 0 319.430 2.255 10 0 DEAERO COc1ccc(O[C@@H](C)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000155744149 186109062 /nfs/dbraw/zinc/10/90/62/186109062.db2.gz IRSNKCGLAFMIAC-SUMWQHHRSA-N 1 0 320.433 2.486 10 0 DEAERO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)C[C@H](C)c1ccccc1 ZINC000155892047 186120972 /nfs/dbraw/zinc/12/09/72/186120972.db2.gz JXZBREBKUSWVCW-GOEBONIOSA-N 1 0 312.479 2.473 10 0 DEAERO CC(C)[NH2+]C[C@H]1COCCN1c1ccncc1Br ZINC000164157775 186150462 /nfs/dbraw/zinc/15/04/62/186150462.db2.gz JXSUNMJVOPTONU-NSHDSACASA-N 1 0 314.227 2.047 10 0 DEAERO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000164357810 186157566 /nfs/dbraw/zinc/15/75/66/186157566.db2.gz JTEAEMGZTBEEHO-VXGBXAGGSA-N 1 0 305.447 2.380 10 0 DEAERO CC1(C)CN(c2c(F)c(F)c(F)c(F)c2F)C[C@H](C[NH3+])O1 ZINC000164479923 186159474 /nfs/dbraw/zinc/15/94/74/186159474.db2.gz SWBNLMVRQAWDBL-LURJTMIESA-N 1 0 310.266 2.325 10 0 DEAERO CC(=O)c1ccc(NC(=O)CCN2CCO[C@H](CCF)C2)cc1 ZINC000626004051 365998541 /nfs/dbraw/zinc/99/85/41/365998541.db2.gz XXCOCBXQKJLCIC-MRXNPFEDSA-N 1 0 322.380 2.278 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)C[C@H]1OC ZINC000333844709 282981767 /nfs/dbraw/zinc/98/17/67/282981767.db2.gz OYAMBEYMGAFLCR-ZIAGYGMSSA-N 1 0 309.454 2.118 10 0 DEAERO COc1c(F)cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000171891107 198001790 /nfs/dbraw/zinc/00/17/90/198001790.db2.gz UFCLRGGXULMQOV-NSHDSACASA-N 1 0 311.332 2.285 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccccc1 ZINC000171888322 198001903 /nfs/dbraw/zinc/00/19/03/198001903.db2.gz RXYJCCOGCNKCQN-AEFFLSMTSA-N 1 0 310.397 2.409 10 0 DEAERO CCOc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903838 198004880 /nfs/dbraw/zinc/00/48/80/198004880.db2.gz KFYVXPRZLCNSSF-OAHLLOKOSA-N 1 0 303.406 2.075 10 0 DEAERO CC1CCC([NH+]2CCN(Cc3nnc(C4CC4)n3C)CC2)CC1 ZINC000172011211 198025523 /nfs/dbraw/zinc/02/55/23/198025523.db2.gz XLBBLEOKHVIFHH-UHFFFAOYSA-N 1 0 317.481 2.389 10 0 DEAERO CSc1ccc(O[C@H](C)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000172605220 198123122 /nfs/dbraw/zinc/12/31/22/198123122.db2.gz RCVHAWMMMMHXKC-ZIAGYGMSSA-N 1 0 320.458 2.482 10 0 DEAERO CCc1cnc(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000080623299 192174095 /nfs/dbraw/zinc/17/40/95/192174095.db2.gz KDTZDHGKDNFDME-GFCCVEGCSA-N 1 0 310.467 2.379 10 0 DEAERO CCN(C(=O)c1occc1Br)[C@H]1CC[N@H+](C)C1 ZINC000617553343 363181650 /nfs/dbraw/zinc/18/16/50/363181650.db2.gz GLCWDSUAUMDVTF-VIFPVBQESA-N 1 0 301.184 2.208 10 0 DEAERO CC(C)(C)CCS(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000300125825 539860473 /nfs/dbraw/zinc/86/04/73/539860473.db2.gz YTABUVYFMGWXFJ-UONOGXRCSA-N 1 0 302.484 2.216 10 0 DEAERO O=C(CCN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1cccc(F)c1 ZINC000172800602 198150721 /nfs/dbraw/zinc/15/07/21/198150721.db2.gz NLFZYVGFGAYEPV-MRXNPFEDSA-N 1 0 305.397 2.324 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(-c2ccncc2)s1 ZINC000172923690 198167946 /nfs/dbraw/zinc/16/79/46/198167946.db2.gz VWGOFKNYZDFRTN-LBPRGKRZSA-N 1 0 302.403 2.029 10 0 DEAERO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000072878311 191246592 /nfs/dbraw/zinc/24/65/92/191246592.db2.gz NHIXDDNAQOCDMQ-ZJUUUORDSA-N 1 0 313.348 2.238 10 0 DEAERO Cc1ncc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c(C)n1 ZINC000329672950 539926383 /nfs/dbraw/zinc/92/63/83/539926383.db2.gz NTQJIGUGCJLFDT-XJKSGUPXSA-N 1 0 315.377 2.069 10 0 DEAERO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173189941 198193299 /nfs/dbraw/zinc/19/32/99/198193299.db2.gz POTFUWOQRXJPBM-HIFRSBDPSA-N 1 0 305.422 2.319 10 0 DEAERO Cc1nc([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000332790272 539940068 /nfs/dbraw/zinc/94/00/68/539940068.db2.gz WJKVTPKYRQQJIG-PWSUYJOCSA-N 1 0 308.451 2.296 10 0 DEAERO Cn1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C2CC2)n1 ZINC000292092986 222833865 /nfs/dbraw/zinc/83/38/65/222833865.db2.gz QXWQUYYNIDYPEP-JSGCOSHPSA-N 1 0 303.410 2.046 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)s1 ZINC000173245677 198200745 /nfs/dbraw/zinc/20/07/45/198200745.db2.gz SPUVLASLFMNOOO-GWCFXTLKSA-N 1 0 316.492 2.326 10 0 DEAERO O=C(NCc1ccc(Cl)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173227760 198198244 /nfs/dbraw/zinc/19/82/44/198198244.db2.gz HVANPFXXTMTFFK-OAHLLOKOSA-N 1 0 305.809 2.496 10 0 DEAERO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333099097 539948723 /nfs/dbraw/zinc/94/87/23/539948723.db2.gz ANKQPHJAYXNYHK-YJBOKZPZSA-N 1 0 315.417 2.449 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(F)ccc2F)CC[N@@H+]1C ZINC000173277038 198205632 /nfs/dbraw/zinc/20/56/32/198205632.db2.gz VZKGIGHGKKBEQE-ZYHUDNBSSA-N 1 0 318.389 2.068 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2F)CC[N@@H+]1C ZINC000173278785 198205854 /nfs/dbraw/zinc/20/58/54/198205854.db2.gz SQBDOYMHSQTRKW-PWSUYJOCSA-N 1 0 318.389 2.068 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1OC ZINC000173306914 198206142 /nfs/dbraw/zinc/20/61/42/198206142.db2.gz BBRKXMJMORBHHM-ZIAGYGMSSA-N 1 0 308.422 2.075 10 0 DEAERO COc1cccc(NC(=O)CC[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000173529623 198224197 /nfs/dbraw/zinc/22/41/97/198224197.db2.gz ZZVFUKCJRVMKMW-HOCLYGCPSA-N 1 0 319.449 2.438 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)NCCc2cccc(F)c2)CC[N@@H+]1C ZINC000173541725 198225707 /nfs/dbraw/zinc/22/57/07/198225707.db2.gz HOULPRGPKIUSMX-BBRMVZONSA-N 1 0 307.413 2.492 10 0 DEAERO CCOc1cccc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000173767724 198250074 /nfs/dbraw/zinc/25/00/74/198250074.db2.gz DCVHQCDXBKFNIF-INIZCTEOSA-N 1 0 315.417 2.241 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000333707915 539969577 /nfs/dbraw/zinc/96/95/77/539969577.db2.gz FCSQDCVSWGRXJP-GZZJDILISA-N 1 0 309.360 2.118 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3F)C2=O)n(C)n1 ZINC000173853890 198260750 /nfs/dbraw/zinc/26/07/50/198260750.db2.gz WLAXHJCVJMNCDY-OAHLLOKOSA-N 1 0 316.380 2.153 10 0 DEAERO C[C@@](O)(C[NH3+])Cc1nc2cc(Br)ccc2s1 ZINC000085003979 192479515 /nfs/dbraw/zinc/47/95/15/192479515.db2.gz ZAQNWFTZTPVMKY-NSHDSACASA-N 1 0 301.209 2.311 10 0 DEAERO CCc1ccc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)s1 ZINC000173955921 198273077 /nfs/dbraw/zinc/27/30/77/198273077.db2.gz RCAWDRSTQCRVIO-ZDUSSCGKSA-N 1 0 305.447 2.466 10 0 DEAERO COCCC(=O)N1CCC([NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000182068887 199381883 /nfs/dbraw/zinc/38/18/83/199381883.db2.gz NCJGISGBKQZGLZ-MRXNPFEDSA-N 1 0 318.461 2.482 10 0 DEAERO COc1ccc(Cl)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333935527 282989009 /nfs/dbraw/zinc/98/90/09/282989009.db2.gz JNSAUWJWDFTOEG-WDEREUQCSA-N 1 0 309.797 2.422 10 0 DEAERO O=C(NCc1cccc2cccnc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174422444 198333028 /nfs/dbraw/zinc/33/30/28/198333028.db2.gz XFOCZGZGMCSTIY-QGZVFWFLSA-N 1 0 322.412 2.391 10 0 DEAERO Cc1ccccc1O[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000174352764 198322979 /nfs/dbraw/zinc/32/29/79/198322979.db2.gz DEWKVQBOAPXVKL-GJZGRUSLSA-N 1 0 305.422 2.156 10 0 DEAERO Cc1ccccc1O[C@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000174352774 198323472 /nfs/dbraw/zinc/32/34/72/198323472.db2.gz DEWKVQBOAPXVKL-CABCVRRESA-N 1 0 305.422 2.156 10 0 DEAERO Cc1ccc([C@H](O)C[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000174780893 198384438 /nfs/dbraw/zinc/38/44/38/198384438.db2.gz IXFJVRRAEIYGKC-QGZVFWFLSA-N 1 0 312.417 2.031 10 0 DEAERO Cc1cc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2)n[nH]1 ZINC000333104241 282917210 /nfs/dbraw/zinc/91/72/10/282917210.db2.gz QORBHANHGOVUHV-IMJJTQAJSA-N 1 0 304.438 2.090 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000236786688 202007320 /nfs/dbraw/zinc/00/73/20/202007320.db2.gz QWMMQTBMDCBKCU-OAHLLOKOSA-N 1 0 318.417 2.388 10 0 DEAERO C[C@@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)N(C)C ZINC000044317289 354233224 /nfs/dbraw/zinc/23/32/24/354233224.db2.gz JOIPCUBWLJTKME-QWRGUYRKSA-N 1 0 321.248 2.273 10 0 DEAERO CC(C)C[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000049970048 354364751 /nfs/dbraw/zinc/36/47/51/354364751.db2.gz LTTDLJLXCRGBLH-OAHLLOKOSA-N 1 0 321.440 2.277 10 0 DEAERO CN(CC1C[NH+](C)C1)C(=O)c1ccc(F)cc1Br ZINC000618196769 363412299 /nfs/dbraw/zinc/41/22/99/363412299.db2.gz LVHXIBHBRWXSGO-UHFFFAOYSA-N 1 0 315.186 2.222 10 0 DEAERO CN(CC1C[NH+](C)C1)C(=O)c1ccc(Br)cc1F ZINC000618196777 363412409 /nfs/dbraw/zinc/41/24/09/363412409.db2.gz MJRBUTCYNUCDKW-UHFFFAOYSA-N 1 0 315.186 2.222 10 0 DEAERO CCCN(C[C@H]1CCCCO1)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000074493020 355032700 /nfs/dbraw/zinc/03/27/00/355032700.db2.gz ATNMSHZLEDWKNC-HZPDHXFCSA-N 1 0 311.470 2.461 10 0 DEAERO CCCc1cc(NC2CC[NH2+]CC2)nc(-n2nc(C)cc2C)n1 ZINC000073663049 191339612 /nfs/dbraw/zinc/33/96/12/191339612.db2.gz JCLZHKZNOVKBCG-UHFFFAOYSA-N 1 0 314.437 2.396 10 0 DEAERO Cc1ccc(-c2[nH]c(=O)sc2CN2CC[NH2+]CC2)c(C)c1 ZINC000075230719 191446639 /nfs/dbraw/zinc/44/66/39/191446639.db2.gz RLANRBKTHFOAML-UHFFFAOYSA-N 1 0 303.431 2.125 10 0 DEAERO CCOC(=O)Cc1[nH]c(=O)sc1C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000075231847 191447263 /nfs/dbraw/zinc/44/72/63/191447263.db2.gz YXVQTUOTCNERRA-QWRGUYRKSA-N 1 0 312.435 2.305 10 0 DEAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000401705865 540141433 /nfs/dbraw/zinc/14/14/33/540141433.db2.gz DNOWNKJARZZPHR-XVKPBYJWSA-N 1 0 310.703 2.113 10 0 DEAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000400179237 540141676 /nfs/dbraw/zinc/14/16/76/540141676.db2.gz OKBOVZVOSCOCPN-QLFBSQMISA-N 1 0 302.484 2.359 10 0 DEAERO CC1CCN(C(=O)C[NH2+][C@]2(CO)C[C@@H](C)CC(C)(C)C2)CC1 ZINC000080903334 355391609 /nfs/dbraw/zinc/39/16/09/355391609.db2.gz CSUOSHIGYPTWOI-MAUKXSAKSA-N 1 0 310.482 2.412 10 0 DEAERO CC(C)c1cc(N2CC[NH+]([C@H](C)CO)CC2)nc(C(C)C)n1 ZINC000090090397 355556104 /nfs/dbraw/zinc/55/61/04/355556104.db2.gz YAVOMKPCIOZHHM-CQSZACIVSA-N 1 0 306.454 2.226 10 0 DEAERO COC(=O)c1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000096625443 355699129 /nfs/dbraw/zinc/69/91/29/355699129.db2.gz ZBYKFVFDCGRCEL-UHFFFAOYSA-N 1 0 318.417 2.210 10 0 DEAERO Cc1ccc2nc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cn2c1 ZINC000097939161 355705971 /nfs/dbraw/zinc/70/59/71/355705971.db2.gz XEDNDFKMQXHACP-AWEZNQCLSA-N 1 0 300.406 2.247 10 0 DEAERO CSCCCC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000134785641 355861550 /nfs/dbraw/zinc/86/15/50/355861550.db2.gz HAZYLNLJAWFITA-UHFFFAOYSA-N 1 0 310.463 2.386 10 0 DEAERO CNC(=O)N1CCC([C@H]2CC[N@H+](Cc3ccncc3F)C2)CC1 ZINC000169781624 355982890 /nfs/dbraw/zinc/98/28/90/355982890.db2.gz PKMBVVUVQWFJFV-AWEZNQCLSA-N 1 0 320.412 2.094 10 0 DEAERO CCC(CC)[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000179790504 356032981 /nfs/dbraw/zinc/03/29/81/356032981.db2.gz TVXDMLBLSHBUAS-RBUKOAKNSA-N 1 0 320.477 2.447 10 0 DEAERO CCOC(=O)[C@H]1C[C@H](C(=O)OCC)C[NH+](C2CCCCC2)C1 ZINC000005332656 181230151 /nfs/dbraw/zinc/23/01/51/181230151.db2.gz SKSVXFMBISNZNL-KBPBESRZSA-N 1 0 311.422 2.383 10 0 DEAERO C[C@H]([NH2+]Cc1cn2cccnc2n1)c1ccc(-n2ccnn2)cc1 ZINC000182038985 356106302 /nfs/dbraw/zinc/10/63/02/356106302.db2.gz LDYLDWJOJZKEMA-ZDUSSCGKSA-N 1 0 319.372 2.161 10 0 DEAERO C[C@H](C[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)Cc1ccccc1 ZINC000182073514 356108158 /nfs/dbraw/zinc/10/81/58/356108158.db2.gz WSLDKIDYLKZCEZ-BHYGNILZSA-N 1 0 304.434 2.091 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000182362364 356123892 /nfs/dbraw/zinc/12/38/92/356123892.db2.gz DPQADHHJKGYPFT-LBPRGKRZSA-N 1 0 318.248 2.277 10 0 DEAERO CCC(CC)CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181798771 356096384 /nfs/dbraw/zinc/09/63/84/356096384.db2.gz JINRNEMSSRESNM-AWEZNQCLSA-N 1 0 313.486 2.157 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000183065241 356158541 /nfs/dbraw/zinc/15/85/41/356158541.db2.gz NCQLKZPLPSRXIM-OWCLPIDISA-N 1 0 311.470 2.223 10 0 DEAERO CCC(C)(C)NC(=O)CN[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000183100202 356159780 /nfs/dbraw/zinc/15/97/80/356159780.db2.gz IXWWSTYVILBPRT-LHSJRXKWSA-N 1 0 310.463 2.001 10 0 DEAERO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC2(C)CCC2)CC1 ZINC000183614999 356177406 /nfs/dbraw/zinc/17/74/06/356177406.db2.gz PYECDANLZLUOQR-AWEZNQCLSA-N 1 0 324.465 2.347 10 0 DEAERO C[NH2+]Cc1ccn(CCOc2cccc(Br)c2)n1 ZINC000080093814 192000871 /nfs/dbraw/zinc/00/08/71/192000871.db2.gz VOAMLZFWLCDEII-UHFFFAOYSA-N 1 0 310.195 2.444 10 0 DEAERO Cc1csc([C@@H](C)NS(=O)(=O)c2ccc(C[NH3+])s2)n1 ZINC000080315390 192023210 /nfs/dbraw/zinc/02/32/10/192023210.db2.gz TYJYPIPFYPLMFS-MRVPVSSYSA-N 1 0 317.461 2.011 10 0 DEAERO CC[C@@H](NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000080315075 192023957 /nfs/dbraw/zinc/02/39/57/192023957.db2.gz XJOJKTWMAOGXKG-NWDGAFQWSA-N 1 0 317.480 2.046 10 0 DEAERO C[NH+]1CCC(CNC(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000184628231 356195436 /nfs/dbraw/zinc/19/54/36/356195436.db2.gz IUROHUAVWDSUEV-UHFFFAOYSA-N 1 0 320.441 2.247 10 0 DEAERO NC(=O)NC(=O)CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000195177160 356250546 /nfs/dbraw/zinc/25/05/46/356250546.db2.gz FIIKYEHEFXXNJC-AWEZNQCLSA-N 1 0 309.797 2.356 10 0 DEAERO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)NC(=O)NC1CC1 ZINC000198963995 356265629 /nfs/dbraw/zinc/26/56/29/356265629.db2.gz CGOCFFWYOFDOQY-NXEZZACHSA-N 1 0 309.797 2.367 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1cccc(Cl)c1 ZINC000198963973 356265681 /nfs/dbraw/zinc/26/56/81/356265681.db2.gz CGOCFFWYOFDOQY-ZJUUUORDSA-N 1 0 309.797 2.367 10 0 DEAERO CC(C)[NH+](CCCNC(=O)N1CCC([C@@H](C)O)CC1)C(C)C ZINC000080729209 192186088 /nfs/dbraw/zinc/18/60/88/192186088.db2.gz HVWZDBJEXJRUOB-OAHLLOKOSA-N 1 0 313.486 2.298 10 0 DEAERO C[C@H](O)CCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000227713294 356280414 /nfs/dbraw/zinc/28/04/14/356280414.db2.gz JEZKYQSDFISOIY-WDEREUQCSA-N 1 0 322.232 2.484 10 0 DEAERO CC[NH2+][C@@H](C)c1csc(N2CCN(CC(F)(F)F)CC2)n1 ZINC000080849767 192195266 /nfs/dbraw/zinc/19/52/66/192195266.db2.gz JWYVLUMHCXWZCC-JTQLQIEISA-N 1 0 322.400 2.498 10 0 DEAERO [NH3+]Cc1ncc(OC(F)(F)F)cc1I ZINC000238609471 356304443 /nfs/dbraw/zinc/30/44/43/356304443.db2.gz MQOQBUWKDDGYMA-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO [NH3+]Cc1cc(OC(F)(F)F)cc(I)n1 ZINC000238675159 356305022 /nfs/dbraw/zinc/30/50/22/356305022.db2.gz ZDPRTWGXHALHBP-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO Cc1ccccc1OCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262428024 356341969 /nfs/dbraw/zinc/34/19/69/356341969.db2.gz IKYOENHARCUKGR-OAGGEKHMSA-N 1 0 302.418 2.411 10 0 DEAERO C[C@@H]1CN(C(=O)c2coc(Br)c2)C[C@@H]1[NH+](C)C ZINC000266194865 356348713 /nfs/dbraw/zinc/34/87/13/356348713.db2.gz NPKSTTIKVUGVLH-SCZZXKLOSA-N 1 0 301.184 2.064 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400330752 283155727 /nfs/dbraw/zinc/15/57/27/283155727.db2.gz BTLJFJMHRZJHSC-KKUMJFAQSA-N 1 0 311.470 2.458 10 0 DEAERO C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400739687 283158515 /nfs/dbraw/zinc/15/85/15/283158515.db2.gz KVBANPDDBGCDQA-BFHYXJOUSA-N 1 0 300.443 2.383 10 0 DEAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400808100 283159069 /nfs/dbraw/zinc/15/90/69/283159069.db2.gz WZXRKPQNJFPJFP-KKUMJFAQSA-N 1 0 311.470 2.458 10 0 DEAERO COC[C@H]1CC[N@H+](CCCOc2cccc(C(N)=S)c2)C1 ZINC000081065205 192222828 /nfs/dbraw/zinc/22/28/28/192222828.db2.gz ZXTQOLRGUQWBCP-ZDUSSCGKSA-N 1 0 308.447 2.058 10 0 DEAERO C[C@H]([NH2+]CCN1CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400509137 283157586 /nfs/dbraw/zinc/15/75/86/283157586.db2.gz KXBCIWMNDMAGEJ-GJZGRUSLSA-N 1 0 311.470 2.317 10 0 DEAERO [NH3+][C@H]1CCc2nc(NC(=O)NCc3ccccc3)sc2C1 ZINC000306207255 356402659 /nfs/dbraw/zinc/40/26/59/356402659.db2.gz IKPOJOPBPKKJEB-NSHDSACASA-N 1 0 302.403 2.281 10 0 DEAERO C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000081329985 192251356 /nfs/dbraw/zinc/25/13/56/192251356.db2.gz KYGIWCHVVZYMBM-WMLDXEAASA-N 1 0 302.418 2.317 10 0 DEAERO O=C(NC1CC1)c1noc([C@H]2CCC[N@@H+]2C[C@@H]2CC=CCC2)n1 ZINC000328623214 356462726 /nfs/dbraw/zinc/46/27/26/356462726.db2.gz BSSTXILGNBFAIW-TZMCWYRMSA-N 1 0 316.405 2.455 10 0 DEAERO O=C(c1ccccc1F)N(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328625497 356463428 /nfs/dbraw/zinc/46/34/28/356463428.db2.gz DFDSXJROAIIXRL-HNNXBMFYSA-N 1 0 313.376 2.473 10 0 DEAERO CCn1c(C[N@H+](C)C[C@@H](C)C(=O)NC)nc2cc(F)ccc21 ZINC000081553998 192289945 /nfs/dbraw/zinc/28/99/45/192289945.db2.gz VFAKUHUWPDQYPS-LLVKDONJSA-N 1 0 306.385 2.009 10 0 DEAERO FC(F)(F)c1ccnc(N2CCC(C[NH2+]C3CC3)CC2)n1 ZINC000081587638 192297319 /nfs/dbraw/zinc/29/73/19/192297319.db2.gz MTMFBSCUPUJOCC-UHFFFAOYSA-N 1 0 300.328 2.464 10 0 DEAERO CCO[C@H](C)c1nc(CN(C)C(=O)C2([NH3+])CCCC2)cs1 ZINC000236922664 202072889 /nfs/dbraw/zinc/07/28/89/202072889.db2.gz IZCLUXSEBQOVSC-LLVKDONJSA-N 1 0 311.451 2.471 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccccc1I ZINC000382291988 356674924 /nfs/dbraw/zinc/67/49/24/356674924.db2.gz LFPLPIGCNOTXQA-GGZOMVNGSA-N 1 0 317.170 2.465 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(I)cc1)[C@@H](C)OC ZINC000086578204 192583754 /nfs/dbraw/zinc/58/37/54/192583754.db2.gz OIWOPOJYZOBDFG-SKDRFNHKSA-N 1 0 319.186 2.457 10 0 DEAERO c1csc(-c2noc(CCCN3CC[C@@H]4C[NH2+]C[C@@H]43)n2)c1 ZINC000385394932 356687645 /nfs/dbraw/zinc/68/76/45/356687645.db2.gz UIGUAPXDBASKSM-NEPJUHHUSA-N 1 0 304.419 2.024 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)CCO2 ZINC000409423300 356736484 /nfs/dbraw/zinc/73/64/84/356736484.db2.gz PRJMJZQWEHGUER-KGLIPLIRSA-N 1 0 304.390 2.202 10 0 DEAERO CCCc1noc([C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])n1 ZINC000409422153 356736560 /nfs/dbraw/zinc/73/65/60/356736560.db2.gz CBMUYPNOIZTPTB-WDEREUQCSA-N 1 0 310.398 2.074 10 0 DEAERO CC(C)c1noc([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2[NH3+])n1 ZINC000409424258 356736593 /nfs/dbraw/zinc/73/65/93/356736593.db2.gz XUHSTPJHUGDSQD-QWRGUYRKSA-N 1 0 310.398 2.245 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H](c2nc(C(C)(C)C)no2)C1 ZINC000409421983 356736613 /nfs/dbraw/zinc/73/66/13/356736613.db2.gz ATMLSTQVSUGTPB-WDEREUQCSA-N 1 0 324.425 2.419 10 0 DEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)Cc1nc(C)cs1 ZINC000086979420 192605477 /nfs/dbraw/zinc/60/54/77/192605477.db2.gz QMJGAEQECUSZCQ-GFCCVEGCSA-N 1 0 304.481 2.187 10 0 DEAERO [NH3+][C@@H](Cc1ccc(Br)cc1)[C@H]1CSCCO1 ZINC000086987371 192606586 /nfs/dbraw/zinc/60/65/86/192606586.db2.gz SWSZJZQSGAJNNM-NWDGAFQWSA-N 1 0 302.237 2.451 10 0 DEAERO CC[C@@](C)(O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000087027949 192612893 /nfs/dbraw/zinc/61/28/93/192612893.db2.gz OAAHTWYYEXVUIF-QWHCGFSZSA-N 1 0 302.212 2.233 10 0 DEAERO CC1(C)CN(CC(=O)Nc2ccc(F)cc2Cl)CC[C@@H]1[NH3+] ZINC000261733460 535352091 /nfs/dbraw/zinc/35/20/91/535352091.db2.gz RKKPTJOCBANCGJ-ZDUSSCGKSA-N 1 0 313.804 2.477 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)cc1 ZINC000579786774 357029108 /nfs/dbraw/zinc/02/91/08/357029108.db2.gz JWXQUYKNLAIKMO-ZDUSSCGKSA-N 1 0 300.402 2.423 10 0 DEAERO CCCCN(C)S(=O)(=O)c1cc(C[NH2+]CC)ccc1F ZINC000088915691 192656181 /nfs/dbraw/zinc/65/61/81/192656181.db2.gz RSENZNDDXZNGED-UHFFFAOYSA-N 1 0 302.415 2.356 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)sc1C[NH3+] ZINC000088919019 192657784 /nfs/dbraw/zinc/65/77/84/192657784.db2.gz KJYDLQQAUYMUCK-UWVGGRQHSA-N 1 0 302.465 2.182 10 0 DEAERO C[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000088920003 192658226 /nfs/dbraw/zinc/65/82/26/192658226.db2.gz JZVLDJKRRPKUSG-GHMZBOCLSA-N 1 0 314.451 2.282 10 0 DEAERO CCC[NH2+]CCOc1ccc(S(=O)(=O)N(C)CCC)cc1 ZINC000088946952 192665117 /nfs/dbraw/zinc/66/51/17/192665117.db2.gz ATGMGORCZQQDCM-UHFFFAOYSA-N 1 0 314.451 2.096 10 0 DEAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000582015117 357286654 /nfs/dbraw/zinc/28/66/54/357286654.db2.gz HZRGVXUKNLROAX-OWCLPIDISA-N 1 0 323.408 2.172 10 0 DEAERO C[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2cc(C[NH3+])ccc2F)C1 ZINC000088995853 192687912 /nfs/dbraw/zinc/68/79/12/192687912.db2.gz QHHYIXPDZMDKFN-DGCLKSJQSA-N 1 0 314.426 2.484 10 0 DEAERO c1cnc(N2CCC[C@@H]([NH2+]Cc3[nH]nc4ccccc43)C2)nc1 ZINC000589641631 357485941 /nfs/dbraw/zinc/48/59/41/357485941.db2.gz UXHJSILWHUXXKX-CYBMUJFWSA-N 1 0 308.389 2.112 10 0 DEAERO Cc1oc(C[NH3+])cc1S(=O)(=O)N(C)[C@@H](C)c1cccs1 ZINC000089001532 192690400 /nfs/dbraw/zinc/69/04/00/192690400.db2.gz XKAPGRWEXSYCMH-VIFPVBQESA-N 1 0 314.432 2.490 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCOc1ccccc1OC ZINC000591213323 357690981 /nfs/dbraw/zinc/69/09/81/357690981.db2.gz QKYBPXBYPFCAIV-HNNXBMFYSA-N 1 0 320.433 2.455 10 0 DEAERO C[C@H](O)C[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179486801 199044426 /nfs/dbraw/zinc/04/44/26/199044426.db2.gz NFXNBXDIESAEOB-XJNFMUPTSA-N 1 0 319.449 2.138 10 0 DEAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2nccs2)ncn1 ZINC000180570490 199177837 /nfs/dbraw/zinc/17/78/37/199177837.db2.gz MNXQSOBHOCVILK-RYUDHWBXSA-N 1 0 318.450 2.294 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cnn(Cc2ccccc2)c1 ZINC000180580984 199179966 /nfs/dbraw/zinc/17/99/66/199179966.db2.gz OPILHUJNVBVQDW-PBHICJAKSA-N 1 0 322.416 2.189 10 0 DEAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000180589381 199180565 /nfs/dbraw/zinc/18/05/65/199180565.db2.gz WKOHCONEJQIXMF-CJNGLKHVSA-N 1 0 322.416 2.438 10 0 DEAERO CCCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000180889887 199224506 /nfs/dbraw/zinc/22/45/06/199224506.db2.gz NBIMQYUDNATLRI-GFCCVEGCSA-N 1 0 315.435 2.179 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000185338435 199840293 /nfs/dbraw/zinc/84/02/93/199840293.db2.gz QPFVAXXXKLXJAC-CQSZACIVSA-N 1 0 318.417 2.012 10 0 DEAERO CCCC1CCN(S(=O)(=O)CCCC[NH2+]C2CC2)CC1 ZINC000089022878 192703006 /nfs/dbraw/zinc/70/30/06/192703006.db2.gz KGGWAACEYLPIKZ-UHFFFAOYSA-N 1 0 302.484 2.361 10 0 DEAERO CN([C@@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)Cc1ccc(F)cc1 ZINC000089132361 192732510 /nfs/dbraw/zinc/73/25/10/192732510.db2.gz WFRHTDSOHNGJON-UKRRQHHQSA-N 1 0 314.426 2.105 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C12CCOCC2 ZINC000186200616 199927105 /nfs/dbraw/zinc/92/71/05/199927105.db2.gz CHVDTEJKKDQJRJ-IAGOWNOFSA-N 1 0 319.401 2.479 10 0 DEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1c(Br)c(C)nn1C ZINC000089232682 192748159 /nfs/dbraw/zinc/74/81/59/192748159.db2.gz LPNZDKRSKUBKPR-GXSJLCMTSA-N 1 0 302.216 2.148 10 0 DEAERO CCc1nn(CC)c(C[C@](C)(C[NH3+])[C@@H](C)O)c1Br ZINC000089379812 192776782 /nfs/dbraw/zinc/77/67/82/192776782.db2.gz XUFORYQZBYEVFZ-NOZJJQNGSA-N 1 0 318.259 2.116 10 0 DEAERO COc1cc(C)c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000186736578 200000324 /nfs/dbraw/zinc/00/03/24/200000324.db2.gz PZPNXQVJJVCAHR-LBPRGKRZSA-N 1 0 307.369 2.455 10 0 DEAERO CC(C)c1ncc(Cl)c(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000089710346 192848637 /nfs/dbraw/zinc/84/86/37/192848637.db2.gz SZSZJVMYBCLQEJ-ZYHUDNBSSA-N 1 0 310.829 2.276 10 0 DEAERO CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000187380900 200103945 /nfs/dbraw/zinc/10/39/45/200103945.db2.gz KADICSSBIJCDOD-YOEHRIQHSA-N 1 0 319.449 2.238 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000187475243 200116978 /nfs/dbraw/zinc/11/69/78/200116978.db2.gz BWBACNQUBPHAKT-GOSISDBHSA-N 1 0 313.401 2.175 10 0 DEAERO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC[C@@H](C)O ZINC000187480162 200117324 /nfs/dbraw/zinc/11/73/24/200117324.db2.gz FJFLDPXGYITATH-NVXWUHKLSA-N 1 0 321.465 2.213 10 0 DEAERO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCC(=O)N(C)C2)cc1F ZINC000187402706 200107539 /nfs/dbraw/zinc/10/75/39/200107539.db2.gz NNJVTJYVQOSYJF-OCCSQVGLSA-N 1 0 308.397 2.223 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)C[C@H](O)COCc2ccccc2)C1 ZINC000187928346 200178464 /nfs/dbraw/zinc/17/84/64/200178464.db2.gz PFVYINXGIYXIJE-SZMVWBNQSA-N 1 0 307.434 2.047 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2cc(F)ccc2F)C1 ZINC000187910570 200175066 /nfs/dbraw/zinc/17/50/66/200175066.db2.gz 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ZINC000189314974 200380143 /nfs/dbraw/zinc/38/01/43/200380143.db2.gz BULYZUSYJDQJPZ-GXFFZTMASA-N 1 0 314.311 2.231 10 0 DEAERO C[NH+](C)CCn1cc(NC(=O)c2c[nH]c(-c3ccccc3)n2)cn1 ZINC000605505717 360972978 /nfs/dbraw/zinc/97/29/78/360972978.db2.gz JQUXFXWMGRNVKN-UHFFFAOYSA-N 1 0 324.388 2.087 10 0 DEAERO COc1cc(C[N@H+](C)CCOC[C@@H]2CCCO2)cc(OC)c1 ZINC000607357150 361083608 /nfs/dbraw/zinc/08/36/08/361083608.db2.gz STYJJPLSYNIECG-HNNXBMFYSA-N 1 0 309.406 2.331 10 0 DEAERO COC(=O)C1CCC([NH2+]Cc2cn(C)nc2C(F)(F)F)CC1 ZINC000192445977 200878520 /nfs/dbraw/zinc/87/85/20/200878520.db2.gz YPTRWAVOPRNOBZ-UHFFFAOYSA-N 1 0 319.327 2.260 10 0 DEAERO CCC[N@H+](C)CC(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000608207489 361184574 /nfs/dbraw/zinc/18/45/74/361184574.db2.gz HDJNRTOVJJOFLB-INIZCTEOSA-N 1 0 314.433 2.162 10 0 DEAERO C[C@H]([NH3+])CCC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000193176241 201001738 /nfs/dbraw/zinc/00/17/38/201001738.db2.gz KKHWOJZAMPLHGJ-QMMMGPOBSA-N 1 0 318.204 2.176 10 0 DEAERO C[C@H]([NH3+])CCC(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000193282925 201020588 /nfs/dbraw/zinc/02/05/88/201020588.db2.gz JOBOXWRLDWPAHZ-DOTOQJQBSA-N 1 0 304.434 2.364 10 0 DEAERO C[C@H]([NH3+])CCC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000193323620 201029591 /nfs/dbraw/zinc/02/95/91/201029591.db2.gz AJZUEKWYWHEVOY-QMMMGPOBSA-N 1 0 306.193 2.011 10 0 DEAERO Cc1cc(Cl)ccc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000193737918 201115242 /nfs/dbraw/zinc/11/52/42/201115242.db2.gz PEYBVRJTOAPNMV-UHFFFAOYSA-N 1 0 323.824 2.140 10 0 DEAERO CC[NH+](CC)CC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000610825899 361474135 /nfs/dbraw/zinc/47/41/35/361474135.db2.gz RYXGRJHIRBGYCM-INIZCTEOSA-N 1 0 320.433 2.385 10 0 DEAERO COC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(Cl)cc1 ZINC000193957503 201153641 /nfs/dbraw/zinc/15/36/41/201153641.db2.gz INGMWVPMQDUHKV-XJKSGUPXSA-N 1 0 312.841 2.338 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nc2cccnc2s1 ZINC000193969408 201155126 /nfs/dbraw/zinc/15/51/26/201155126.db2.gz AQXOCBKOCQDECB-VXGBXAGGSA-N 1 0 316.430 2.390 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000194148079 201187938 /nfs/dbraw/zinc/18/79/38/201187938.db2.gz QVRFNJUYFTVMFY-CYBMUJFWSA-N 1 0 323.824 2.187 10 0 DEAERO Cc1ccc([C@@H](O)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000194191016 201195854 /nfs/dbraw/zinc/19/58/54/201195854.db2.gz BNYPVMCCKPQVRB-SJORKVTESA-N 1 0 321.465 2.304 10 0 DEAERO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ccnn1C)c1ccccc1 ZINC000611404738 361593240 /nfs/dbraw/zinc/59/32/40/361593240.db2.gz CGNWPDYZIAQABG-HNNXBMFYSA-N 1 0 301.390 2.450 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)C2CCC(O)CC2)[C@@H]1c1ccccc1 ZINC000194526535 201244960 /nfs/dbraw/zinc/24/49/60/201244960.db2.gz NOZBTFZSKBFZNQ-BACDZXNISA-N 1 0 302.418 2.099 10 0 DEAERO CCCCOC[C@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000195219089 201361967 /nfs/dbraw/zinc/36/19/67/201361967.db2.gz CHAGMDSPEMNHCZ-QGZVFWFLSA-N 1 0 307.434 2.148 10 0 DEAERO CCC[NH2+]Cc1cccc(SCC(=O)N[C@H](C)COC)c1 ZINC000090871634 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CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)n[nH]c1C ZINC000275363061 212292073 /nfs/dbraw/zinc/29/20/73/212292073.db2.gz BHYNWKLFJYURTA-XJKSGUPXSA-N 1 0 303.410 2.110 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2OCC)CC12COC2 ZINC000449356685 240390603 /nfs/dbraw/zinc/39/06/03/240390603.db2.gz CLPIRQRBDOOYFS-HNNXBMFYSA-N 1 0 319.401 2.097 10 0 DEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000623767607 365168406 /nfs/dbraw/zinc/16/84/06/365168406.db2.gz YPZVDADFYSRYRJ-NEPJUHHUSA-N 1 0 320.614 2.342 10 0 DEAERO O=C(C[C@@H]1C[NH2+]CCO1)Nc1nc2ccc(Cl)cc2s1 ZINC000091298924 193034500 /nfs/dbraw/zinc/03/45/00/193034500.db2.gz YAJGKUIYIHHEKQ-SECBINFHSA-N 1 0 311.794 2.267 10 0 DEAERO O=C1[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CCN1C1CCC1 ZINC000623839807 365194257 /nfs/dbraw/zinc/19/42/57/365194257.db2.gz DOGNVTDALHWZQZ-GOSISDBHSA-N 1 0 324.428 2.174 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1SC[C@@H](C)CO)OCCO2 ZINC000091260569 193028207 /nfs/dbraw/zinc/02/82/07/193028207.db2.gz 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/nfs/dbraw/zinc/07/94/06/193079406.db2.gz IDGTYWNYUOIZPP-HUUCEWRRSA-N 1 0 304.500 2.054 10 0 DEAERO Cc1cc([C@H](C[NH3+])N2CCO[C@H](C)C2)ccc1Br ZINC000091470390 193060365 /nfs/dbraw/zinc/06/03/65/193060365.db2.gz ZUCCVANDDJHKKB-RISCZKNCSA-N 1 0 313.239 2.478 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccccc1Br ZINC000624172812 365317776 /nfs/dbraw/zinc/31/77/76/365317776.db2.gz VBDPQNODYWZXBV-NEPJUHHUSA-N 1 0 313.239 2.430 10 0 DEAERO c1sc([C@@H]2C[NH2+]CCO2)nc1-c1ccc2c(c1)OCCO2 ZINC000091501549 193065520 /nfs/dbraw/zinc/06/55/20/193065520.db2.gz KEFGXSQUSMWXMP-AWEZNQCLSA-N 1 0 304.371 2.242 10 0 DEAERO Cc1nc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])ccc1Br ZINC000091507278 193066634 /nfs/dbraw/zinc/06/66/34/193066634.db2.gz CQUZKUXGRTZMDR-ZJUUUORDSA-N 1 0 312.211 2.466 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@H]1CN(C)CCO1 ZINC000091718761 193096862 /nfs/dbraw/zinc/09/68/62/193096862.db2.gz CQTMEVUVARMCBQ-HUUCEWRRSA-N 1 0 300.805 2.330 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000091717710 193097197 /nfs/dbraw/zinc/09/71/97/193097197.db2.gz DUBYRQOZRLBNJQ-KBPBESRZSA-N 1 0 303.233 2.455 10 0 DEAERO CCC(CC)([C@H](CCCS(C)(=O)=O)[NH2+]C)N1CCCC1 ZINC000091635239 193082047 /nfs/dbraw/zinc/08/20/47/193082047.db2.gz WGEHBTPSXYMRJC-AWEZNQCLSA-N 1 0 304.500 2.054 10 0 DEAERO O=C1N(Cc2ccc(Cl)c(Cl)c2)C[C@@H]2C[NH2+]CCN12 ZINC000091750912 193102412 /nfs/dbraw/zinc/10/24/12/193102412.db2.gz NSGGEXCUOWYDQE-JTQLQIEISA-N 1 0 300.189 2.203 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(F)ccc1F ZINC000091850552 193117547 /nfs/dbraw/zinc/11/75/47/193117547.db2.gz HKENCTVYNALMIU-UHFFFAOYSA-N 1 0 318.389 2.245 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2nn(C)c3c2CCCC3)CC1 ZINC000449953743 241290210 /nfs/dbraw/zinc/29/02/10/241290210.db2.gz ZSVNBCLDWFLDRM-UHFFFAOYSA-N 1 0 318.465 2.151 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(NC(C)=O)cc3)[C@H]2C1 ZINC000092096081 193156146 /nfs/dbraw/zinc/15/61/46/193156146.db2.gz SIQFFCMWUACFPW-SQNIBIBYSA-N 1 0 318.417 2.413 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH2+]C(C)(C)C)o2)C[C@H]1C ZINC000092113111 193160820 /nfs/dbraw/zinc/16/08/20/193160820.db2.gz OGHKTYCSLBXDJT-VXGBXAGGSA-N 1 0 314.451 2.444 10 0 DEAERO Cc1oc(C[NH2+]C2CC2)cc1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113496 193161362 /nfs/dbraw/zinc/16/13/62/193161362.db2.gz FOKMRVOHWIFCES-GHMZBOCLSA-N 1 0 312.435 2.117 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccsc2C[NH2+]C2CC2)C[C@H]1C ZINC000092113704 193161647 /nfs/dbraw/zinc/16/16/47/193161647.db2.gz WMDPNAZYDWLXAG-PHIMTYICSA-N 1 0 314.476 2.277 10 0 DEAERO CCCN(CC)S(=O)(=O)c1ccc(C[NH2+]CC)cc1F ZINC000092115602 193163687 /nfs/dbraw/zinc/16/36/87/193163687.db2.gz VCYNTLJUNPIGHH-UHFFFAOYSA-N 1 0 302.415 2.356 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@H](C)C2)c(F)c1 ZINC000092115856 193164563 /nfs/dbraw/zinc/16/45/63/193164563.db2.gz WVFURVKGCFYGHW-LBPRGKRZSA-N 1 0 314.426 2.354 10 0 DEAERO C[NH2+]C[C@@H](C)C(=O)NCc1cc(Br)ccc1F ZINC000092136367 193166681 /nfs/dbraw/zinc/16/66/81/193166681.db2.gz PCZUSTLQHCAOSX-MRVPVSSYSA-N 1 0 303.175 2.060 10 0 DEAERO C[NH2+]C[C@@H](C)C(=O)Nc1cc(Br)ccc1N(C)C ZINC000092133660 193166759 /nfs/dbraw/zinc/16/67/59/193166759.db2.gz GONYEXCFRMFQHO-SECBINFHSA-N 1 0 314.227 2.309 10 0 DEAERO c1c(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)nnn1C[C@@H]1CCOC1 ZINC000631079901 368005939 /nfs/dbraw/zinc/00/59/39/368005939.db2.gz UWKMQVNCWGLWGI-RRQGHBQHSA-N 1 0 304.438 2.373 10 0 DEAERO O[C@@H](CC[NH2+]Cc1ncc(Br)s1)C(F)F ZINC000631217485 368085238 /nfs/dbraw/zinc/08/52/38/368085238.db2.gz XCMOZDXTYHQJTD-YFKPBYRVSA-N 1 0 301.156 2.011 10 0 DEAERO COc1cc(C[NH2+]CC[C@H](O)C(F)F)cc(Cl)c1OC ZINC000631220401 368086477 /nfs/dbraw/zinc/08/64/77/368086477.db2.gz XPYKSZXUTGLJBP-JTQLQIEISA-N 1 0 309.740 2.463 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092208437 193173614 /nfs/dbraw/zinc/17/36/14/193173614.db2.gz CPBLIMZJGBKWQM-BDAKNGLRSA-N 1 0 311.179 2.300 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000250121091 202820432 /nfs/dbraw/zinc/82/04/32/202820432.db2.gz VIOOSOMFVJUQMQ-MPTQWLOMSA-N 1 0 315.417 2.009 10 0 DEAERO CC(=O)c1ccccc1NC(=O)CN1CCCCC[C@H]([NH3+])C1 ZINC000631831740 368408963 /nfs/dbraw/zinc/40/89/63/368408963.db2.gz NWWIYWMPNPDUSQ-AWEZNQCLSA-N 1 0 303.406 2.031 10 0 DEAERO CC[C@@H](C(N)=S)[NH+]1CCN(CCSc2ccccc2)CC1 ZINC000092261138 193181827 /nfs/dbraw/zinc/18/18/27/193181827.db2.gz UVRGITZFZAJDBT-HNNXBMFYSA-N 1 0 323.531 2.461 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000631969041 368472038 /nfs/dbraw/zinc/47/20/38/368472038.db2.gz ZQBNGXYZMAEKFT-IUCAKERBSA-N 1 0 323.245 2.209 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000631976109 368475793 /nfs/dbraw/zinc/47/57/93/368475793.db2.gz PMWXYRFQUVVNIG-HAQNSBGRSA-N 1 0 316.854 2.444 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c(C)s1 ZINC000631995574 368485241 /nfs/dbraw/zinc/48/52/41/368485241.db2.gz IUQQHGXIBRRFCM-CHWSQXEVSA-N 1 0 314.476 2.128 10 0 DEAERO c1ccc2c(c1)SC[C@@H]2C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000092275822 193184085 /nfs/dbraw/zinc/18/40/85/193184085.db2.gz VGWPICGKXPPWPY-RRFJBIMHSA-N 1 0 304.459 2.329 10 0 DEAERO O=C(N[C@@H]1CCOc2ccc(F)cc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171908134 284081767 /nfs/dbraw/zinc/08/17/67/284081767.db2.gz YZEQHOMVXJTFHL-UKRRQHHQSA-N 1 0 319.380 2.139 10 0 DEAERO O=C(N[C@@H]1CCOc2ccccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066174549 284083605 /nfs/dbraw/zinc/08/36/05/284083605.db2.gz CCSSIHOKHAXTDC-GOEBONIOSA-N 1 0 315.417 2.390 10 0 DEAERO CN(CC(C)(C)O)c1nc2sccn2c1C[NH2+]C(C)(C)C ZINC000092971023 193190888 /nfs/dbraw/zinc/19/08/88/193190888.db2.gz NGWCJDOHIXXAGM-UHFFFAOYSA-N 1 0 310.467 2.491 10 0 DEAERO COCCCN(C)c1nc(C(C)C)c(C[NH2+]CCOC)s1 ZINC000093000272 193192281 /nfs/dbraw/zinc/19/22/81/193192281.db2.gz HVGAFBNBAMDMSA-UHFFFAOYSA-N 1 0 315.483 2.475 10 0 DEAERO C[NH2+]Cc1sc(N(CCCOC)CCOC)nc1C(C)C ZINC000093000001 193192138 /nfs/dbraw/zinc/19/21/38/193192138.db2.gz CLCRHMJPXQVBDY-UHFFFAOYSA-N 1 0 315.483 2.475 10 0 DEAERO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261893725 203145689 /nfs/dbraw/zinc/14/56/89/203145689.db2.gz UGHZEUNSAIHBCC-ALLJEULLSA-N 1 0 322.474 2.333 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)COC2 ZINC000093098844 193203493 /nfs/dbraw/zinc/20/34/93/193203493.db2.gz NSTGQMMXKGULMC-MLGOLLRUSA-N 1 0 301.390 2.417 10 0 DEAERO COCC[NH2+]C[C@@H](CCS(C)(=O)=O)c1ccccc1Cl ZINC000093179623 193212373 /nfs/dbraw/zinc/21/23/73/193212373.db2.gz MDIDSVRNVVNFAU-GFCCVEGCSA-N 1 0 319.854 2.094 10 0 DEAERO C[NH2+]C[C@@H](CCS(C)(=O)=O)c1ccccc1Br ZINC000093181247 193212499 /nfs/dbraw/zinc/21/24/99/193212499.db2.gz NGBWDNKQMDOWBD-SNVBAGLBSA-N 1 0 320.252 2.187 10 0 DEAERO CS(=O)(=O)Nc1ccc(Cl)c(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093212516 193217376 /nfs/dbraw/zinc/21/73/76/193217376.db2.gz UGMGFAFKTLSAOE-UWVGGRQHSA-N 1 0 317.842 2.393 10 0 DEAERO CCC(CC)[N@H+](CC(C)C)[C@]1(CN)CCCS(=O)(=O)C1 ZINC000093308575 193228183 /nfs/dbraw/zinc/22/81/83/193228183.db2.gz RXAGAOAUPJQJSL-HNNXBMFYSA-N 1 0 304.500 2.039 10 0 DEAERO COCc1cc(NC(=O)NCCC[NH+]2CCCCCC2)ncn1 ZINC000093315059 193230181 /nfs/dbraw/zinc/23/01/81/193230181.db2.gz UXQHSKSXLAHHKS-UHFFFAOYSA-N 1 0 321.425 2.011 10 0 DEAERO [NH2+]=C1NC[C@@]2(CCSc3ccccc32)N1C[C@@H]1CCCO1 ZINC000093377603 193240777 /nfs/dbraw/zinc/24/07/77/193240777.db2.gz DPDWWJVLIAINNM-BLLLJJGKSA-N 1 0 303.431 2.187 10 0 DEAERO CCC(CC)[N@H+](CC(C)C)C1(CN)CCS(=O)(=O)CC1 ZINC000093308502 193227141 /nfs/dbraw/zinc/22/71/41/193227141.db2.gz YBRCCNSGMCYXNH-UHFFFAOYSA-N 1 0 304.500 2.039 10 0 DEAERO C[N@@H+]1CC[C@H](CNC(=O)c2sc3cccc(F)c3c2N)C1 ZINC000093412024 193245728 /nfs/dbraw/zinc/24/57/28/193245728.db2.gz VURGPHFVWZERIE-SECBINFHSA-N 1 0 307.394 2.304 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2sc3cccc(F)c3c2N)C1 ZINC000093412226 193245835 /nfs/dbraw/zinc/24/58/35/193245835.db2.gz MERAVZHLXNMENQ-SECBINFHSA-N 1 0 307.394 2.399 10 0 DEAERO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc2c1OCCO2 ZINC000093437390 193251864 /nfs/dbraw/zinc/25/18/64/193251864.db2.gz MIJVVFBBZOVGDS-UKRRQHHQSA-N 1 0 318.417 2.135 10 0 DEAERO COCCN1C(=[NH2+])NC[C@@H]1c1ccc(Br)c(C)c1 ZINC000093380449 193241085 /nfs/dbraw/zinc/24/10/85/193241085.db2.gz KDRARRFYIVLTFN-GFCCVEGCSA-N 1 0 312.211 2.075 10 0 DEAERO NC1=[NH+]C[C@@]2(CCCOC2)N1c1ccc(Br)cc1 ZINC000093387085 193242320 /nfs/dbraw/zinc/24/23/20/193242320.db2.gz ADCGMVIKWWUVAG-CYBMUJFWSA-N 1 0 310.195 2.343 10 0 DEAERO C[C@H](C[C@H]1CCCC[NH2+]1)NCc1ccc(S(C)(=O)=O)cc1 ZINC000093486725 193258940 /nfs/dbraw/zinc/25/89/40/193258940.db2.gz GSWZTTCSWHZHSP-UKRRQHHQSA-N 1 0 310.463 2.100 10 0 DEAERO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525774 193264049 /nfs/dbraw/zinc/26/40/49/193264049.db2.gz ULTRSPJZMRHSBF-UKRRQHHQSA-N 1 0 316.511 2.052 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1cccc(OC)c1 ZINC000093628988 193276068 /nfs/dbraw/zinc/27/60/68/193276068.db2.gz VGGAEOLHCFHOAI-MLGOLLRUSA-N 1 0 308.447 2.421 10 0 DEAERO NC(=O)[C@@]1([NH3+])CCC[C@@H]1CCSc1cc(F)ccc1F ZINC000093629593 193276625 /nfs/dbraw/zinc/27/66/25/193276625.db2.gz CEOKZPRFLFASDL-YMTOWFKASA-N 1 0 300.374 2.430 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1ncccc1Cl ZINC000093631243 193277690 /nfs/dbraw/zinc/27/76/90/193277690.db2.gz DGWLLZYMWPXSMV-HZMBPMFUSA-N 1 0 313.854 2.461 10 0 DEAERO CCC1CCC([NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093696525 193291601 /nfs/dbraw/zinc/29/16/01/193291601.db2.gz LWEMUJDZLLTWHV-SLTAFYQDSA-N 1 0 302.484 2.216 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000093696987 193292225 /nfs/dbraw/zinc/29/22/25/193292225.db2.gz MZXYRLJTFAFTED-JTQLQIEISA-N 1 0 322.883 2.163 10 0 DEAERO CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093699953 193293955 /nfs/dbraw/zinc/29/39/55/193293955.db2.gz UZEHOGXLHDFLJQ-ZBFHGGJFSA-N 1 0 310.463 2.399 10 0 DEAERO Cc1ccc(F)cc1[C@@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700198 193294319 /nfs/dbraw/zinc/29/43/19/193294319.db2.gz PNLHCTZGRHKSDA-WFASDCNBSA-N 1 0 314.426 2.196 10 0 DEAERO CCC[C@@](C)(C[NH2+]CC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701508 193295104 /nfs/dbraw/zinc/29/51/04/193295104.db2.gz OMCJVINFFIUQDG-HUUCEWRRSA-N 1 0 304.500 2.464 10 0 DEAERO CC[NH2+][C@H](CCC[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093702274 193295489 /nfs/dbraw/zinc/29/54/89/193295489.db2.gz LYLMWZCTCSOQMW-LSDHHAIUSA-N 1 0 304.500 2.462 10 0 DEAERO CC[NH2+][C@@H](C)CC(C)(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702355 193295856 /nfs/dbraw/zinc/29/58/56/193295856.db2.gz GBFVIXYEYSZUKY-KBPBESRZSA-N 1 0 304.500 2.462 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000093739938 193297854 /nfs/dbraw/zinc/29/78/54/193297854.db2.gz LYYNFDLKBGUDHC-QGZVFWFLSA-N 1 0 306.450 2.201 10 0 DEAERO CCOC(=O)[C@]1(NC)CCC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756579 193300916 /nfs/dbraw/zinc/30/09/16/193300916.db2.gz RCSDVJSNLJLJBI-YPMHNXCESA-N 1 0 310.360 2.335 10 0 DEAERO CCN[C@@]1(C(=O)OC)CCC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756625 193302197 /nfs/dbraw/zinc/30/21/97/193302197.db2.gz CTWYVPBSOZPPBL-YPMHNXCESA-N 1 0 310.360 2.335 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2ncc(C)cn2)C1 ZINC000093778942 193306098 /nfs/dbraw/zinc/30/60/98/193306098.db2.gz ORBNLODCPAVHRW-IUODEOHRSA-N 1 0 308.451 2.043 10 0 DEAERO Cc1ccc2[nH]c(S[C@@H]3CCC[C@]([NH3+])(C(N)=O)C3)nc2c1 ZINC000093779492 193306427 /nfs/dbraw/zinc/30/64/27/193306427.db2.gz JYPRALNDSKZNAM-MEBBXXQBSA-N 1 0 304.419 2.089 10 0 DEAERO OC[C@]1([NH2+]C2CC2)CCC[C@@H](N(CC(F)(F)F)C2CC2)C1 ZINC000093782834 193307192 /nfs/dbraw/zinc/30/71/92/193307192.db2.gz FVGKSCRYAJYBGL-KGLIPLIRSA-N 1 0 306.372 2.439 10 0 DEAERO OC[C@]1([NH2+]C2CC2)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000093784223 193307886 /nfs/dbraw/zinc/30/78/86/193307886.db2.gz URDUFJAIPPMPKA-OLZOCXBDSA-N 1 0 314.227 2.244 10 0 DEAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000093685001 193288306 /nfs/dbraw/zinc/28/83/06/193288306.db2.gz DJPBSGIGQVHQFQ-LLVKDONJSA-N 1 0 318.343 2.033 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)NC2C(C)(C)C([NH3+])C2(C)C)c1 ZINC000094006529 193338376 /nfs/dbraw/zinc/33/83/76/193338376.db2.gz CKVBRQZXIJDZMH-UHFFFAOYSA-N 1 0 314.426 2.174 10 0 DEAERO CCOC(=O)[C@]1(N)CC[C@@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093831900 193315314 /nfs/dbraw/zinc/31/53/14/193315314.db2.gz DEPLTBTXVPMNKF-LOWVWBTDSA-N 1 0 308.344 2.074 10 0 DEAERO NC(=O)[C@]1([NH3+])CC[C@H](Sc2ccccc2Br)C1 ZINC000093849008 193317401 /nfs/dbraw/zinc/31/74/01/193317401.db2.gz MYDLRLCXMAGURA-UFBFGSQYSA-N 1 0 315.236 2.277 10 0 DEAERO CC[NH2+][C@]1(CO)CC[C@@H](n2nc(C)c(Br)c2C)C1 ZINC000093857657 193320331 /nfs/dbraw/zinc/32/03/31/193320331.db2.gz SPGSOFLYYJLLQI-DGCLKSJQSA-N 1 0 316.243 2.328 10 0 DEAERO Cc1sc2nc(CN(C)CC(C)(C)C[NH3+])nc(N)c2c1C ZINC000093873862 193322033 /nfs/dbraw/zinc/32/20/33/193322033.db2.gz YPUQCRQNBVUCIM-UHFFFAOYSA-N 1 0 307.467 2.307 10 0 DEAERO CCN(CC(C)(C)C[NH3+])C(=O)c1ccc(Br)cn1 ZINC000093877382 193322157 /nfs/dbraw/zinc/32/21/57/193322157.db2.gz ZAVPMVWBSQAHES-UHFFFAOYSA-N 1 0 314.227 2.291 10 0 DEAERO C[NH+](C)CCCNC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000093900806 193326811 /nfs/dbraw/zinc/32/68/11/193326811.db2.gz LGSBSHKGSLXLTN-UHFFFAOYSA-N 1 0 306.406 2.323 10 0 DEAERO C[N@@H+]1CCCN(C(=O)c2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000093901503 193326816 /nfs/dbraw/zinc/32/68/16/193326816.db2.gz RZTSMGJNAWVECF-UHFFFAOYSA-N 1 0 318.417 2.420 10 0 DEAERO C[NH2+][C@H](c1ccc(F)c(F)c1F)[C@@H]1CN(C(C)C)CCO1 ZINC000093926588 193329536 /nfs/dbraw/zinc/32/95/36/193329536.db2.gz YFHHUMRFASFYFD-SWLSCSKDSA-N 1 0 302.340 2.474 10 0 DEAERO CC[NH2+][C@H](CSC[C@@H](O)CO)C12CC3CC(CC(C3)C1)C2 ZINC000093962047 193332127 /nfs/dbraw/zinc/33/21/27/193332127.db2.gz GXCVPSFYLRMYQT-TZZLPOFGSA-N 1 0 313.507 2.267 10 0 DEAERO CC1(C)CCC[C@H](CN2CCN(CC(F)(F)F)CC2)[C@@H]1[NH3+] ZINC000094288313 193356292 /nfs/dbraw/zinc/35/62/92/193356292.db2.gz HKWSWHBMOWHZNA-OLZOCXBDSA-N 1 0 307.404 2.320 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CCS(C)(=O)=O ZINC000094297103 193356646 /nfs/dbraw/zinc/35/66/46/193356646.db2.gz YHXCGAPWAQZICU-ZIAGYGMSSA-N 1 0 318.870 2.095 10 0 DEAERO CCC(C)(C)C1CCC(C[NH3+])(N(C)CCS(C)(=O)=O)CC1 ZINC000094297836 193356820 /nfs/dbraw/zinc/35/68/20/193356820.db2.gz UHNBNGOTDCMGFM-UHFFFAOYSA-N 1 0 318.527 2.287 10 0 DEAERO C[C@@H](CC[NH+](C)C)Nc1nc(C(F)(F)F)ccc1C(N)=S ZINC000094336072 193361036 /nfs/dbraw/zinc/36/10/36/193361036.db2.gz KQWKDCARXFROGC-QMMMGPOBSA-N 1 0 320.384 2.487 10 0 DEAERO CCC(C)(C)NC(=O)[C@H](C)Oc1c(F)cc(C[NH3+])cc1F ZINC000094346268 193363179 /nfs/dbraw/zinc/36/31/79/193363179.db2.gz XIMKMOZREDASHD-VIFPVBQESA-N 1 0 300.349 2.496 10 0 DEAERO CCC(CC)NC(=O)COc1c(F)cc(CC[NH3+])cc1F ZINC000094349701 193363335 /nfs/dbraw/zinc/36/33/35/193363335.db2.gz KFQOMLNUTQRJDM-UHFFFAOYSA-N 1 0 300.349 2.150 10 0 DEAERO CN(C)C(=O)COc1c(F)cc(C[NH2+]C(C)(C)C)cc1F ZINC000094347827 193363383 /nfs/dbraw/zinc/36/33/83/193363383.db2.gz PYHKJVICYROEAQ-UHFFFAOYSA-N 1 0 300.349 2.320 10 0 DEAERO CC(C)NC(=O)CCOc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350244 193363844 /nfs/dbraw/zinc/36/38/44/193363844.db2.gz BXNVQEBSZUMOJH-JTQLQIEISA-N 1 0 300.349 2.148 10 0 DEAERO [NH3+]CCCOC1CCN(Cc2ccc(Br)o2)CC1 ZINC000094069962 193343429 /nfs/dbraw/zinc/34/34/29/193343429.db2.gz XVIIELKBDACYRN-UHFFFAOYSA-N 1 0 317.227 2.372 10 0 DEAERO CCC([NH3+])(CC)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000094243759 193354738 /nfs/dbraw/zinc/35/47/38/193354738.db2.gz CBXPVYJDBLBJPZ-UHFFFAOYSA-N 1 0 311.813 2.498 10 0 DEAERO CC[N@H+](Cc1ccccc1N)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094637567 193387432 /nfs/dbraw/zinc/38/74/32/193387432.db2.gz RJBIKRIBHGHVTP-CABCVRRESA-N 1 0 310.463 2.447 10 0 DEAERO CCC(CC)([C@H]([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC000094642918 193388598 /nfs/dbraw/zinc/38/85/98/193388598.db2.gz VUNXUHMKIOWETM-HZSPNIEDSA-N 1 0 304.500 2.038 10 0 DEAERO CCC[NH2+][C@@H]([C@@H]1CCCO1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642608 193389196 /nfs/dbraw/zinc/38/91/96/193389196.db2.gz CDRCCZDUTVZMOG-CBBWQLFWSA-N 1 0 303.468 2.137 10 0 DEAERO Cc1nn([C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1C[NH2+]C(C)C ZINC000094644431 193389953 /nfs/dbraw/zinc/38/99/53/193389953.db2.gz FGXDWRAABQBJPV-CABCVRRESA-N 1 0 313.467 2.218 10 0 DEAERO CC(C)C[NH2+]Cc1cnn([C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000094644016 193390020 /nfs/dbraw/zinc/39/00/20/193390020.db2.gz HFRJEMRVSFBNHN-LSDHHAIUSA-N 1 0 313.467 2.157 10 0 DEAERO NC(=S)C1CC[NH+]([C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094376131 193367178 /nfs/dbraw/zinc/36/71/78/193367178.db2.gz BBECGWKROMFNGG-JSGCOSHPSA-N 1 0 300.493 2.039 10 0 DEAERO CC[NH2+][C@H](C(OC)OC)[C@H]1CCOC2(CCSCC2)C1 ZINC000094407923 193368078 /nfs/dbraw/zinc/36/80/78/193368078.db2.gz UIXTYQLRGHWRBL-STQMWFEESA-N 1 0 303.468 2.276 10 0 DEAERO CCn1c(C[C@@H]([NH2+]C)[C@@H]2CSCCO2)nc2ccccc21 ZINC000094503262 193374205 /nfs/dbraw/zinc/37/42/05/193374205.db2.gz XLJCNSMTMLCTEQ-HIFRSBDPSA-N 1 0 305.447 2.319 10 0 DEAERO CCCn1c(C[C@H]([NH3+])[C@H]2CSCCO2)nc2ccccc21 ZINC000094502406 193374261 /nfs/dbraw/zinc/37/42/61/193374261.db2.gz LYRMZGPXEMPOHK-SWLSCSKDSA-N 1 0 305.447 2.448 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@H]1CSCCO1 ZINC000094504039 193374378 /nfs/dbraw/zinc/37/43/78/193374378.db2.gz AGILOOHFNUAAKE-CMPLNLGQSA-N 1 0 303.859 2.035 10 0 DEAERO CCCn1ncnc1C[C@H]([NH2+]CC)[C@H]1CSCCS1 ZINC000094498213 193374561 /nfs/dbraw/zinc/37/45/61/193374561.db2.gz DYUBFHSRELAZFM-NWDGAFQWSA-N 1 0 300.497 2.057 10 0 DEAERO [NH3+][C@@H]([C@@H]1CSCCO1)[C@H]1CCOC2(CCSCC2)C1 ZINC000094502507 193374929 /nfs/dbraw/zinc/37/49/29/193374929.db2.gz MPBSLNGCJRTPHW-RWMBFGLXSA-N 1 0 303.493 2.138 10 0 DEAERO CCc1nn(CC)c(C[C@@H]([NH2+]C)[C@H]2CSCCO2)c1Cl ZINC000094503376 193374950 /nfs/dbraw/zinc/37/49/50/193374950.db2.gz JTZLOCKVTYYKIR-DGCLKSJQSA-N 1 0 317.886 2.381 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)[C@H]1CN2CCN1CC2 ZINC000094510754 193375367 /nfs/dbraw/zinc/37/53/67/193375367.db2.gz XNNRQDIKZGKRFU-DLBZAZTESA-N 1 0 307.869 2.251 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000094550122 193378980 /nfs/dbraw/zinc/37/89/80/193378980.db2.gz JXQUGGRAUYOTEJ-ONGXEEELSA-N 1 0 322.352 2.063 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000094550170 193379021 /nfs/dbraw/zinc/37/90/21/193379021.db2.gz QOCKLHZUFWQGIX-OZQHNXSNSA-N 1 0 314.838 2.310 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCc2ccc(Cl)cc2Cl)O1 ZINC000094564525 193380685 /nfs/dbraw/zinc/38/06/85/193380685.db2.gz RACHKUISDHWKJY-YPMHNXCESA-N 1 0 317.216 2.158 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)c3ncccc23)O1 ZINC000094567088 193381145 /nfs/dbraw/zinc/38/11/45/193381145.db2.gz UGTFCZRUAYBBDV-NOZJJQNGSA-N 1 0 305.765 2.333 10 0 DEAERO CNc1c(C(=O)N(C)CC[NH+](C)C)cccc1C(F)(F)F ZINC000094599125 193383315 /nfs/dbraw/zinc/38/33/15/193383315.db2.gz NOHWAHBDQFZKDB-UHFFFAOYSA-N 1 0 303.328 2.381 10 0 DEAERO C[C@H](Nc1nc2ccc(Br)cn2n1)[C@H]1CCC[NH2+]C1 ZINC000094607703 193384368 /nfs/dbraw/zinc/38/43/68/193384368.db2.gz ZWKJXNMKKNGSAN-UWVGGRQHSA-N 1 0 324.226 2.292 10 0 DEAERO CN(c1nc2c(Br)cccn2n1)C1CCC([NH3+])CC1 ZINC000094609159 193384409 /nfs/dbraw/zinc/38/44/09/193384409.db2.gz CVJDJGFBXBSPLM-UHFFFAOYSA-N 1 0 324.226 2.198 10 0 DEAERO [NH3+]CCOc1cccc(Nc2nc3ccc(Cl)cn3n2)c1 ZINC000094607855 193384481 /nfs/dbraw/zinc/38/44/81/193384481.db2.gz XZTULRUBQKXLFY-UHFFFAOYSA-N 1 0 303.753 2.464 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2nc3ccc(Br)cn3n2)C1 ZINC000094608415 193384804 /nfs/dbraw/zinc/38/48/04/193384804.db2.gz SISOUMHHUPKCII-NXEZZACHSA-N 1 0 324.226 2.055 10 0 DEAERO Brc1cccn2nc(NCC[C@@H]3CCC[NH2+]C3)nc12 ZINC000094608174 193384834 /nfs/dbraw/zinc/38/48/34/193384834.db2.gz BFIIOUDUZDWRSA-JTQLQIEISA-N 1 0 324.226 2.293 10 0 DEAERO CC[NH2+][C@H](C)c1cc(F)ccc1O[C@@H]1CCS(=O)(=O)C1 ZINC000094618894 193385284 /nfs/dbraw/zinc/38/52/84/193385284.db2.gz IHOJRYRMXQDDLJ-ZYHUDNBSSA-N 1 0 301.383 2.062 10 0 DEAERO C[NH2+][C@@H](c1cncc(Br)c1)c1cc(C)cnc1N ZINC000094824297 193401875 /nfs/dbraw/zinc/40/18/75/193401875.db2.gz HZLJJLBKVHFJNP-LBPRGKRZSA-N 1 0 307.195 2.439 10 0 DEAERO C[NH2+]Cc1nnc(-c2c(F)cc(Br)cc2F)o1 ZINC000094717487 193393584 /nfs/dbraw/zinc/39/35/84/193393584.db2.gz AJESTASBQZSPJO-UHFFFAOYSA-N 1 0 304.094 2.497 10 0 DEAERO CC1(C[NH2+]C[C@H]2Cc3cc(Br)ccc3O2)COC1 ZINC000094722240 193393885 /nfs/dbraw/zinc/39/38/85/193393885.db2.gz LVKQJAZZLACDBZ-GFCCVEGCSA-N 1 0 312.207 2.379 10 0 DEAERO CC1(C[NH2+]C[C@@H]2Cc3cc(Br)ccc3O2)COC1 ZINC000094722239 193393911 /nfs/dbraw/zinc/39/39/11/193393911.db2.gz LVKQJAZZLACDBZ-LBPRGKRZSA-N 1 0 312.207 2.379 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)c2cccc(F)c2C[NH3+])C1 ZINC000094801008 193399569 /nfs/dbraw/zinc/39/95/69/193399569.db2.gz QKLSRAVBIOHLAW-UHFFFAOYSA-N 1 0 314.426 2.485 10 0 DEAERO OC1CCN(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000453377358 245111028 /nfs/dbraw/zinc/11/10/28/245111028.db2.gz PVCDGCFEKLOXIN-LPHOPBHVSA-N 1 0 318.461 2.201 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000189317285 291551837 /nfs/dbraw/zinc/55/18/37/291551837.db2.gz APFDVYBFFWJGTH-JQWIXIFHSA-N 1 0 302.827 2.067 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(N(C)C)nc2)CC[N@@H+]1C ZINC000266361451 205293687 /nfs/dbraw/zinc/29/36/87/205293687.db2.gz JGLWMKHUFHBHGT-OCCSQVGLSA-N 1 0 305.426 2.094 10 0 DEAERO CSc1nc(N2CCCc3ccccc3C2)cc(NN)[nH+]1 ZINC000160156775 197389877 /nfs/dbraw/zinc/38/98/77/197389877.db2.gz VXACYLHURCOSSZ-UHFFFAOYSA-N 1 0 301.419 2.437 10 0 DEAERO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCCC2CC2)C1 ZINC000530600103 284443419 /nfs/dbraw/zinc/44/34/19/284443419.db2.gz BCSMZSFQKBNTQU-MRXNPFEDSA-N 1 0 311.470 2.319 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@@H]2C[C@H](OC)C2(C)C)CC1 ZINC000530757751 284462123 /nfs/dbraw/zinc/46/21/23/284462123.db2.gz DUVJMIOULVWHAK-CABCVRRESA-N 1 0 311.470 2.221 10 0 DEAERO Cn1c(C[NH3+])nnc1SCc1cnc(Cl)cc1Cl ZINC000159844993 197368331 /nfs/dbraw/zinc/36/83/31/197368331.db2.gz HUVNTOADNWAXIF-UHFFFAOYSA-N 1 0 304.206 2.268 10 0 DEAERO C[NH+](C)CCCC(C)(C)NC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000456197659 247001322 /nfs/dbraw/zinc/00/13/22/247001322.db2.gz IYYRXWUFQCKGIT-UHFFFAOYSA-N 1 0 322.453 2.057 10 0 DEAERO [NH3+]CCC(=O)Nc1cc(Br)ccc1Br ZINC000037047052 182864328 /nfs/dbraw/zinc/86/43/28/182864328.db2.gz DDGQSNDCGPFJMC-UHFFFAOYSA-N 1 0 322.000 2.499 10 0 DEAERO O=C(c1cccc(-n2cccn2)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186534803 296247094 /nfs/dbraw/zinc/24/70/94/296247094.db2.gz RTUWEIIROHESLU-HNNXBMFYSA-N 1 0 310.401 2.229 10 0 DEAERO C[NH2+]CCCC(=O)Nc1cc(Br)ccc1N(C)C ZINC000037611395 182913703 /nfs/dbraw/zinc/91/37/03/182913703.db2.gz WMYKGALOJOCAKG-UHFFFAOYSA-N 1 0 314.227 2.453 10 0 DEAERO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1c(Br)cnn1C ZINC000487552140 248763769 /nfs/dbraw/zinc/76/37/69/248763769.db2.gz WRSDMRCVAPPKRB-SKDRFNHKSA-N 1 0 302.216 2.087 10 0 DEAERO CCCNS(=O)(=O)c1ccc(N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038050893 182982460 /nfs/dbraw/zinc/98/24/60/182982460.db2.gz CNDRPJLIUAKSJN-CABCVRRESA-N 1 0 311.451 2.057 10 0 DEAERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)cc2Br)C1 ZINC000040452304 183068219 /nfs/dbraw/zinc/06/82/19/183068219.db2.gz XBYRLFIPFSQZBL-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCC[NH2+]1)CCCC2 ZINC000040431667 183065960 /nfs/dbraw/zinc/06/59/60/183065960.db2.gz RHNVKJIMNOGQEE-JTQLQIEISA-N 1 0 308.403 2.104 10 0 DEAERO COc1ccc(/C=C\C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1O ZINC000492406258 249057760 /nfs/dbraw/zinc/05/77/60/249057760.db2.gz MCJSBMURFFFTEV-HAANDJBQSA-N 1 0 316.401 2.109 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000040632698 183111730 /nfs/dbraw/zinc/11/17/30/183111730.db2.gz CLTZUFLCIYQZQE-GXSJLCMTSA-N 1 0 302.346 2.317 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cc(Br)ccc2C)C1 ZINC000040633594 183111776 /nfs/dbraw/zinc/11/17/76/183111776.db2.gz XXVXRRWKIDAVHI-JQWIXIFHSA-N 1 0 313.195 2.073 10 0 DEAERO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2ccccc2SC)C1 ZINC000040599515 183108322 /nfs/dbraw/zinc/10/83/22/183108322.db2.gz FXQPGJDSRMVAGX-ZDUSSCGKSA-N 1 0 307.463 2.278 10 0 DEAERO CCOC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000040615575 183109505 /nfs/dbraw/zinc/10/95/05/183109505.db2.gz CXEFHHWGMIVTTN-INIZCTEOSA-N 1 0 318.417 2.201 10 0 DEAERO COc1ccc([C@H](CNC(=O)N(C)C)[NH+]2CCCC2)cc1OC ZINC000040616572 183109735 /nfs/dbraw/zinc/10/97/35/183109735.db2.gz DJIDMZMGQNCGOE-AWEZNQCLSA-N 1 0 321.421 2.112 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2nc3ccc(Cl)cc3s2)C1 ZINC000040629926 183111169 /nfs/dbraw/zinc/11/11/69/183111169.db2.gz GTHKXZBECWMHFH-WCBMZHEXSA-N 1 0 311.794 2.265 10 0 DEAERO CC(C)C[C@H](CO)[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000040777818 183132649 /nfs/dbraw/zinc/13/26/49/183132649.db2.gz BCHKWLYJZIVPSP-CABCVRRESA-N 1 0 315.841 2.214 10 0 DEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(Br)cc1 ZINC000040749745 183128994 /nfs/dbraw/zinc/12/89/94/183128994.db2.gz YSCSLYBJDHDUGK-AGUYFDCRSA-N 1 0 323.234 2.472 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)C(C)(C)[NH3+])c(C(F)(F)F)c1 ZINC000040925596 183148833 /nfs/dbraw/zinc/14/88/33/183148833.db2.gz HFCBGISYHQOVCO-UHFFFAOYSA-N 1 0 303.284 2.340 10 0 DEAERO CC[NH2+][C@@H](C)c1c(F)cccc1Sc1nc(N)cc(=O)[nH]1 ZINC000041027258 183157859 /nfs/dbraw/zinc/15/78/59/183157859.db2.gz JCUHFTHNYDGPFV-QMMMGPOBSA-N 1 0 308.382 2.313 10 0 DEAERO CN(c1c2c([nH+]c3ccccc31)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000041477758 183193730 /nfs/dbraw/zinc/19/37/30/183193730.db2.gz QJULYIINBQYKMO-GFCCVEGCSA-N 1 0 316.426 2.347 10 0 DEAERO CNS(=O)(=O)c1ccc(NCCCC[N@H+](C)C(C)C)cc1 ZINC000041676246 183215517 /nfs/dbraw/zinc/21/55/17/183215517.db2.gz WHAXOPJBTFNXGE-UHFFFAOYSA-N 1 0 313.467 2.127 10 0 DEAERO CC(C)[N@H+](C)CCCCNS(=O)(=O)c1ccc(F)cc1 ZINC000041678831 183216208 /nfs/dbraw/zinc/21/62/08/183216208.db2.gz QFILSADDKGRPGP-UHFFFAOYSA-N 1 0 302.415 2.224 10 0 DEAERO CC(C)[N@H+](C)CCCCNS(=O)(=O)c1ccnc(Cl)c1 ZINC000041678841 183216455 /nfs/dbraw/zinc/21/64/55/183216455.db2.gz ZHCMSVBMVPGUIR-UHFFFAOYSA-N 1 0 319.858 2.134 10 0 DEAERO Cc1ccc(C)c(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)c1 ZINC000042307392 183252191 /nfs/dbraw/zinc/25/21/91/183252191.db2.gz QBEGGCOZIZMRJW-UHFFFAOYSA-N 1 0 304.415 2.241 10 0 DEAERO CCC[NH2+]C[C@H](O)CN(C)Cc1ccccc1Br ZINC000042441061 183270514 /nfs/dbraw/zinc/27/05/14/183270514.db2.gz ODNJGHNUZLKTCV-ZDUSSCGKSA-N 1 0 315.255 2.241 10 0 DEAERO CCN(CCOC)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042492616 183276187 /nfs/dbraw/zinc/27/61/87/183276187.db2.gz WUGZUNRPLWJHDG-ZDUSSCGKSA-N 1 0 301.228 2.417 10 0 DEAERO CC[C@H](C)[N@H+](CCOC)CCOc1ccc(C(N)=S)cc1 ZINC000042583195 183287216 /nfs/dbraw/zinc/28/72/16/183287216.db2.gz NMHYNWOXCZQAJY-ZDUSSCGKSA-N 1 0 310.463 2.447 10 0 DEAERO CC(C)C[C@@H](C)N(C)S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000042592568 183288650 /nfs/dbraw/zinc/28/86/50/183288650.db2.gz NINPKRLOFYXGKY-CYBMUJFWSA-N 1 0 310.463 2.387 10 0 DEAERO CC[C@H](C)N(CCOC)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042593855 183289617 /nfs/dbraw/zinc/28/96/17/183289617.db2.gz WMPLMCAOEOOBNQ-QWHCGFSZSA-N 1 0 314.451 2.142 10 0 DEAERO C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000042609404 183290439 /nfs/dbraw/zinc/29/04/39/183290439.db2.gz VRMKSMSMLDORFY-BBRMVZONSA-N 1 0 310.463 2.486 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)N1CCCC1 ZINC000042946063 183319577 /nfs/dbraw/zinc/31/95/77/183319577.db2.gz OTAFUFTYPPSWEX-LRDDRELGSA-N 1 0 309.841 2.283 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCC[C@@H]1C(=O)NC ZINC000043015791 183327617 /nfs/dbraw/zinc/32/76/17/183327617.db2.gz PHPNBFVCNLXAIM-RBSFLKMASA-N 1 0 309.841 2.329 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCCC[C@@H]1C(N)=O ZINC000043015848 183327770 /nfs/dbraw/zinc/32/77/70/183327770.db2.gz RVYCIOCETNYYOA-KFWWJZLASA-N 1 0 309.841 2.458 10 0 DEAERO [NH3+]C[C@H](c1cccc(Br)c1)N1CCC[C@H](CO)C1 ZINC000043020890 183329702 /nfs/dbraw/zinc/32/97/02/183329702.db2.gz QGRPHEKWOWAQHO-SMDDNHRTSA-N 1 0 313.239 2.153 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1C ZINC000043041992 183332063 /nfs/dbraw/zinc/33/20/63/183332063.db2.gz MSBZIEOPCJLJSV-FZMZJTMJSA-N 1 0 304.419 2.231 10 0 DEAERO CCN(CC(F)(F)F)S(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000042782188 183308260 /nfs/dbraw/zinc/30/82/60/183308260.db2.gz ACOXNKGKHVJGJW-VIFPVBQESA-N 1 0 310.341 2.279 10 0 DEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)cc1 ZINC000042782208 183308318 /nfs/dbraw/zinc/30/83/18/183308318.db2.gz NPALBAYDDVBHEQ-SECBINFHSA-N 1 0 322.352 2.422 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CCCC[C@@H]1C(=O)NC ZINC000043242689 183347184 /nfs/dbraw/zinc/34/71/84/183347184.db2.gz GJTYHUXKLARJDE-GZBFAFLISA-N 1 0 309.479 2.435 10 0 DEAERO CCNC(=O)CN(C)[C@H](c1ccc(Cl)s1)[C@@H]([NH3+])CC ZINC000043253582 183347758 /nfs/dbraw/zinc/34/77/58/183347758.db2.gz PRTYSPCWNVIKEY-ZANVPECISA-N 1 0 303.859 2.248 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1nnnn1C)c1ccc(Cl)s1 ZINC000043256862 183348339 /nfs/dbraw/zinc/34/83/39/183348339.db2.gz JXTDCZKWMWGCJH-MUWHJKNJSA-N 1 0 303.844 2.496 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCOCC1 ZINC000043284354 183350729 /nfs/dbraw/zinc/35/07/29/183350729.db2.gz IVFYRNSAYKRKLU-LDYMZIIASA-N 1 0 305.241 2.231 10 0 DEAERO COc1ccc2cc([C@@H]([NH3+])[C@H]3CCS(=O)(=O)C3)ccc2c1 ZINC000043299896 183351487 /nfs/dbraw/zinc/35/14/87/183351487.db2.gz RSBUXWTYMDOQNO-GOEBONIOSA-N 1 0 305.399 2.283 10 0 DEAERO CC[N@@H+]1CCC[C@@H](Nc2nc3c(cc2C(N)=S)CCC3)C1 ZINC000043408861 183359444 /nfs/dbraw/zinc/35/94/44/183359444.db2.gz YBQYJXITAKKDRI-GFCCVEGCSA-N 1 0 304.463 2.101 10 0 DEAERO Cc1cccc(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)c1C ZINC000043314175 183354602 /nfs/dbraw/zinc/35/46/02/183354602.db2.gz SSUHCFMDBXAARZ-UHFFFAOYSA-N 1 0 304.415 2.241 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N1CCC(O)CC1 ZINC000043090636 183335937 /nfs/dbraw/zinc/33/59/37/183335937.db2.gz UTNNADCODZLTLU-QMTHXVAHSA-N 1 0 313.239 2.294 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CCC(O)CC1 ZINC000043090627 183336012 /nfs/dbraw/zinc/33/60/12/183336012.db2.gz UTNNADCODZLTLU-HZMBPMFUSA-N 1 0 313.239 2.294 10 0 DEAERO C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000044594634 183426234 /nfs/dbraw/zinc/42/62/34/183426234.db2.gz WECQWOHKTRLBJO-CZUORRHYSA-N 1 0 310.463 2.387 10 0 DEAERO CCC1CCC(CNS(=O)(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000045012269 183475796 /nfs/dbraw/zinc/47/57/96/183475796.db2.gz GZNHUVACXVXXGA-NRXISQOPSA-N 1 0 302.484 2.122 10 0 DEAERO CC[NH+](CC)CC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532379479 284687123 /nfs/dbraw/zinc/68/71/23/284687123.db2.gz MSDSFZIRZQZBRL-CQSZACIVSA-N 1 0 312.454 2.299 10 0 DEAERO O=C(NCCc1cc(F)cc(F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105213625 194084723 /nfs/dbraw/zinc/08/47/23/194084723.db2.gz UNNQQSPBUOACSX-INIZCTEOSA-N 1 0 323.387 2.387 10 0 DEAERO CO[C@H]1C[C@@H](CN(C)Cc2coc(-c3ccccc3)n2)[N@H+](C)C1 ZINC000284831141 218196118 /nfs/dbraw/zinc/19/61/18/218196118.db2.gz OWOWKXRBUQMNCG-IRXDYDNUSA-N 1 0 315.417 2.493 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2csc(C(C)(C)C)n2)C[C@H]1C ZINC000105823904 194138641 /nfs/dbraw/zinc/13/86/41/194138641.db2.gz VKDLANLKEVWHSE-CHWSQXEVSA-N 1 0 311.495 2.328 10 0 DEAERO CCCOc1nc(Nc2ccc(Cl)cc2F)nc(NN)[nH+]1 ZINC000159440710 197354697 /nfs/dbraw/zinc/35/46/97/197354697.db2.gz APJRECBIBJWXEM-UHFFFAOYSA-N 1 0 312.736 2.482 10 0 DEAERO Cn1cc(CN2CCC[N@H+](Cc3cccc(F)c3)CC2)cn1 ZINC000105869311 194151443 /nfs/dbraw/zinc/15/14/43/194151443.db2.gz GJZYUVZRCIHHGO-UHFFFAOYSA-N 1 0 302.397 2.267 10 0 DEAERO Cn1cc(C[N@@H+]2CCCN(Cc3cccc(F)c3F)CC2)cn1 ZINC000105869552 194152278 /nfs/dbraw/zinc/15/22/78/194152278.db2.gz MCBYZXYHBRRHBF-UHFFFAOYSA-N 1 0 320.387 2.406 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](O)C(C)C)CC(C)C ZINC000153259694 284769881 /nfs/dbraw/zinc/76/98/81/284769881.db2.gz IPFGYBGZIBFVKN-CABCVRRESA-N 1 0 301.475 2.059 10 0 DEAERO COc1cccc([C@H]2C[C@@H]2C(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000106725414 194246553 /nfs/dbraw/zinc/24/65/53/194246553.db2.gz KQMBJMKRIXUMID-SJORKVTESA-N 1 0 302.418 2.351 10 0 DEAERO C[C@H]1CCC[C@H](N(C)S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000049014728 183701644 /nfs/dbraw/zinc/70/16/44/183701644.db2.gz IFFIWJGVMWUXEP-KKUMJFAQSA-N 1 0 302.484 2.359 10 0 DEAERO Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000285233518 218343684 /nfs/dbraw/zinc/34/36/84/218343684.db2.gz KSPNGPIEUXMNCM-INIZCTEOSA-N 1 0 309.373 2.144 10 0 DEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(CCOCCC(C)C)CC1 ZINC000109469957 194266427 /nfs/dbraw/zinc/26/64/27/194266427.db2.gz CUEPYJSXTXOXGQ-HNNXBMFYSA-N 1 0 315.527 2.122 10 0 DEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)CC2CCCC2)CC1 ZINC000109463129 194265314 /nfs/dbraw/zinc/26/53/14/194265314.db2.gz XAICCQYXYSFNCF-AWEZNQCLSA-N 1 0 311.495 2.166 10 0 DEAERO COc1cc(C[NH2+][C@H]2CCCOC2)cc(Br)c1O ZINC000109543914 194272534 /nfs/dbraw/zinc/27/25/34/194272534.db2.gz ZIJZKSMSLJVJBD-JTQLQIEISA-N 1 0 316.195 2.432 10 0 DEAERO Clc1cccc(Cl)c1-c1nc(CN2CC[NH2+]CC2)no1 ZINC000109473209 194267620 /nfs/dbraw/zinc/26/76/20/194267620.db2.gz UCLHCWUINGQBFT-UHFFFAOYSA-N 1 0 313.188 2.449 10 0 DEAERO Clc1cc(Cl)cc(-c2nc(CN3CC[NH2+]CC3)no2)c1 ZINC000109473274 194267869 /nfs/dbraw/zinc/26/78/69/194267869.db2.gz GYCIWRUWSLITHK-UHFFFAOYSA-N 1 0 313.188 2.449 10 0 DEAERO CCC[NH2+]CCOCC(=O)Nc1ccc(Br)cc1 ZINC000051844795 183839117 /nfs/dbraw/zinc/83/91/17/183839117.db2.gz PAKQJELWYZAFKC-UHFFFAOYSA-N 1 0 315.211 2.404 10 0 DEAERO CC[NH2+]C[C@@H](CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000052950611 183881434 /nfs/dbraw/zinc/88/14/34/183881434.db2.gz OSSQRIGQRCYVOV-OLZOCXBDSA-N 1 0 316.492 2.045 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@H]1SCCc2ccccc21 ZINC000534527796 284848238 /nfs/dbraw/zinc/84/82/38/284848238.db2.gz VYGVUJBYLYTJCK-INIZCTEOSA-N 1 0 313.426 2.062 10 0 DEAERO O=S(=O)(c1ccc(NC[C@H]2CCC[NH2+]2)cc1)C(F)(F)F ZINC000053255284 183896004 /nfs/dbraw/zinc/89/60/04/183896004.db2.gz JYFNXEOPPCURAQ-SNVBAGLBSA-N 1 0 308.325 2.144 10 0 DEAERO CCS(=O)(=O)c1ccccc1N1CCC[C@H]1C[NH2+]C1CC1 ZINC000053694947 183910145 /nfs/dbraw/zinc/91/01/45/183910145.db2.gz CQHRINRRKROJED-AWEZNQCLSA-N 1 0 308.447 2.201 10 0 DEAERO CC(C)[NH+](CCNC(=O)[C@H]1CCCN1c1nccs1)C(C)C ZINC000110610387 194342149 /nfs/dbraw/zinc/34/21/49/194342149.db2.gz MOWQXGGJNPKRST-CQSZACIVSA-N 1 0 324.494 2.347 10 0 DEAERO O=S(=O)(c1ccccc1NCC[C@H]1CCC[NH2+]C1)C(F)F ZINC000110793618 194358917 /nfs/dbraw/zinc/35/89/17/194358917.db2.gz IVDOTVBBFBRGHM-LLVKDONJSA-N 1 0 318.389 2.485 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1cccc(Br)c1 ZINC000054308911 183933787 /nfs/dbraw/zinc/93/37/87/183933787.db2.gz XARIUBQBTZWRPK-GFCCVEGCSA-N 1 0 311.223 2.455 10 0 DEAERO O[C@@H]1C[NH2+]C[C@@H]1Oc1ccc2cc(Br)ccc2c1 ZINC000111060063 194387448 /nfs/dbraw/zinc/38/74/48/194387448.db2.gz OLKDOEOBFPQGME-KGLIPLIRSA-N 1 0 308.175 2.314 10 0 DEAERO CCOCC[N@H+](CC)CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000111122122 194391816 /nfs/dbraw/zinc/39/18/16/194391816.db2.gz PGKKUOJYEKMQCZ-INIZCTEOSA-N 1 0 300.443 2.110 10 0 DEAERO CCOCCN(CC)S(=O)(=O)c1cccc([C@@H]([NH3+])CC)c1 ZINC000111125602 194393214 /nfs/dbraw/zinc/39/32/14/194393214.db2.gz RSSVSKOYWSFHCN-HNNXBMFYSA-N 1 0 314.451 2.144 10 0 DEAERO CN(CC[NH+](C)C)CC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000111130144 194393246 /nfs/dbraw/zinc/39/32/46/194393246.db2.gz VMVRMYTZZFBTQN-UHFFFAOYSA-N 1 0 319.236 2.008 10 0 DEAERO CCC[NH2+][C@@H](CS(C)(=O)=O)c1cc(Cl)ccc1OC ZINC000055228761 183972630 /nfs/dbraw/zinc/97/26/30/183972630.db2.gz QHTXDESRXZKNIA-LBPRGKRZSA-N 1 0 305.827 2.434 10 0 DEAERO CN(CCNc1ccc(Br)cc1)CC[NH+](C)C ZINC000111150730 194396485 /nfs/dbraw/zinc/39/64/85/194396485.db2.gz QPEBSMRQTMHFEY-UHFFFAOYSA-N 1 0 300.244 2.354 10 0 DEAERO CN(C[C@H]1CCCOC1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000111158300 194397322 /nfs/dbraw/zinc/39/73/22/194397322.db2.gz XFBQQRRTOBCBAS-YGRLFVJLSA-N 1 0 302.340 2.462 10 0 DEAERO C[C@@H]1CN(c2ccc(C(N)=[NH2+])cc2Br)C[C@H](C)O1 ZINC000157826961 197218923 /nfs/dbraw/zinc/21/89/23/197218923.db2.gz KZQBCSKIWQZSST-DTORHVGOSA-N 1 0 312.211 2.347 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)CS(C)(=O)=O ZINC000060706161 184154503 /nfs/dbraw/zinc/15/45/03/184154503.db2.gz OWCVQDGMNLATNO-GFCCVEGCSA-N 1 0 309.353 2.271 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000061231147 184166560 /nfs/dbraw/zinc/16/65/60/184166560.db2.gz ZZOVBYYCZHIBMO-JTQLQIEISA-N 1 0 307.785 2.105 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000061230731 184166722 /nfs/dbraw/zinc/16/67/22/184166722.db2.gz BSQQMXPVGTUZKN-SRVKXCTJSA-N 1 0 310.360 2.238 10 0 DEAERO CC[NH2+]CCC(=O)Nc1ccc(I)cc1 ZINC000061288527 184167812 /nfs/dbraw/zinc/16/78/12/184167812.db2.gz DOIXSLAYDCHGSM-UHFFFAOYSA-N 1 0 318.158 2.229 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1ccc(F)cc1 ZINC000061594188 184176117 /nfs/dbraw/zinc/17/61/17/184176117.db2.gz WVNDWYHDWZVPEV-NWDGAFQWSA-N 1 0 310.398 2.301 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C(C)C)c1cccnc1 ZINC000061595272 184176427 /nfs/dbraw/zinc/17/64/27/184176427.db2.gz FDKYDTMVRTXFSQ-NEPJUHHUSA-N 1 0 307.423 2.118 10 0 DEAERO CC(C)n1c(Sc2cccc(Cl)c2C(N)=[NH2+])n[nH]c1=O ZINC000061595671 184176662 /nfs/dbraw/zinc/17/66/62/184176662.db2.gz ZXYXVFOZPUNTFJ-UHFFFAOYSA-N 1 0 311.798 2.241 10 0 DEAERO COc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc(OC)c1C ZINC000061605617 184176941 /nfs/dbraw/zinc/17/69/41/184176941.db2.gz KRGIPHUWQAVZLO-UHFFFAOYSA-N 1 0 318.417 2.323 10 0 DEAERO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061603859 184177513 /nfs/dbraw/zinc/17/75/13/184177513.db2.gz PJBTUDVUMGCCLX-LBPRGKRZSA-N 1 0 324.371 2.429 10 0 DEAERO CC[C@@H](Oc1ccc(Br)cc1[C@H](C)[NH2+]C)C(N)=O ZINC000061676075 184181806 /nfs/dbraw/zinc/18/18/06/184181806.db2.gz BJXHBNBKGDMTNX-GZMMTYOYSA-N 1 0 315.211 2.372 10 0 DEAERO CC[C@@H](Oc1c(Cl)cc(C[NH2+]C(C)C)cc1OC)C(N)=O ZINC000061675681 184181978 /nfs/dbraw/zinc/18/19/78/184181978.db2.gz YGRAYKAKASYCJW-GFCCVEGCSA-N 1 0 314.813 2.489 10 0 DEAERO CC[C@@H](Oc1c(Cl)cc(C[C@@H]([NH3+])CC)cc1OC)C(N)=O ZINC000061678333 184182004 /nfs/dbraw/zinc/18/20/04/184182004.db2.gz VREDBRXRNBLUCB-CMPLNLGQSA-N 1 0 314.813 2.271 10 0 DEAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061941006 184197193 /nfs/dbraw/zinc/19/71/93/184197193.db2.gz XIJJTXGASOMTCZ-HZSPNIEDSA-N 1 0 307.404 2.318 10 0 DEAERO CCC[NH2+][C@H]1CCCC[C@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941297 184197410 /nfs/dbraw/zinc/19/74/10/184197410.db2.gz PLPCPWZNBKOAMN-UONOGXRCSA-N 1 0 307.404 2.477 10 0 DEAERO Cc1nc(N2CCN(CC(F)(F)F)CC2)sc1[C@@H](C)[NH3+] ZINC000061948528 184197824 /nfs/dbraw/zinc/19/78/24/184197824.db2.gz FMTVJXLDBQKLGE-MRVPVSSYSA-N 1 0 308.373 2.156 10 0 DEAERO FC(F)(F)CN1CCN(C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000061947997 184198021 /nfs/dbraw/zinc/19/80/21/184198021.db2.gz HEMDFJXJTSLWOJ-MJBXVCDLSA-N 1 0 305.388 2.087 10 0 DEAERO CC(C)[C@H]1CC[C@@H](O)[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000061942851 184198237 /nfs/dbraw/zinc/19/82/37/184198237.db2.gz XGVXJRWOZPEOBN-BFHYXJOUSA-N 1 0 308.388 2.352 10 0 DEAERO O=C1COc2cc(N[C@H]3CC[N@@H+](C4CC4)C3)c(Cl)cc2N1 ZINC000061981380 184199514 /nfs/dbraw/zinc/19/95/14/184199514.db2.gz KUAPHEKHGATWNZ-VIFPVBQESA-N 1 0 307.781 2.320 10 0 DEAERO OC[C@@]1(Nc2cccc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000061992156 184199648 /nfs/dbraw/zinc/19/96/48/184199648.db2.gz KRRLEJPUJLDFNO-CQSZACIVSA-N 1 0 311.223 2.460 10 0 DEAERO C[N@H+](CCNC(=O)c1ccc(N)c(C(F)(F)F)c1)C1CC1 ZINC000062011857 184201137 /nfs/dbraw/zinc/20/11/37/184201137.db2.gz GGFPAWMGHFKABB-UHFFFAOYSA-N 1 0 301.312 2.112 10 0 DEAERO C[C@H]([NH3+])Cc1ccc(OCc2ncon2)c(Br)c1 ZINC000062704261 184248716 /nfs/dbraw/zinc/24/87/16/184248716.db2.gz HOJQTJKKIGSQPT-QMMMGPOBSA-N 1 0 312.167 2.301 10 0 DEAERO CC[NH2+][C@@H](c1cc(F)c(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000062706587 184248725 /nfs/dbraw/zinc/24/87/25/184248725.db2.gz JKSPIBOJCFZYAP-ISVAXAHUSA-N 1 0 307.337 2.189 10 0 DEAERO [NH3+]C1(CNC(=O)c2coc(Br)c2)CCCCC1 ZINC000269106712 207245654 /nfs/dbraw/zinc/24/56/54/207245654.db2.gz KJXBEDVDXAEGEU-UHFFFAOYSA-N 1 0 301.184 2.434 10 0 DEAERO COCC[NH2+]Cc1c(N2CCC[C@H](C)C2)nc2sccn12 ZINC000062734354 184251405 /nfs/dbraw/zinc/25/14/05/184251405.db2.gz CVZYUSZFLFHHRS-LBPRGKRZSA-N 1 0 308.451 2.368 10 0 DEAERO COCC[NH2+]Cc1c(N2CCC[C@@H](C)C2)nc2sccn12 ZINC000062734353 184251438 /nfs/dbraw/zinc/25/14/38/184251438.db2.gz CVZYUSZFLFHHRS-GFCCVEGCSA-N 1 0 308.451 2.368 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)Cc2ccco2)CC1 ZINC000062771621 184253228 /nfs/dbraw/zinc/25/32/28/184253228.db2.gz MSRILLDJOFFUGG-ZDUSSCGKSA-N 1 0 314.451 2.004 10 0 DEAERO CCC1(C)CCN(S(=O)(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000062959660 184262636 /nfs/dbraw/zinc/26/26/36/184262636.db2.gz WKDMAVCZCMBHSG-CQSZACIVSA-N 1 0 302.484 2.361 10 0 DEAERO CC(C)(C)c1ncc(C[NH2+][C@]2(C)CCS(=O)(=O)C2)s1 ZINC000062838869 184255536 /nfs/dbraw/zinc/25/55/36/184255536.db2.gz CEOAGALFXOYLFV-CYBMUJFWSA-N 1 0 302.465 2.107 10 0 DEAERO CC[C@]1(C(=O)Nc2ncc(Br)s2)CC[NH2+]C1 ZINC000062893767 184259023 /nfs/dbraw/zinc/25/90/23/184259023.db2.gz VHVFCJMAOBPPNL-JTQLQIEISA-N 1 0 304.213 2.234 10 0 DEAERO CCC[NH2+][C@H](CCSc1nc2cc(C)ccc2[nH]1)C(N)=O ZINC000062604437 184244720 /nfs/dbraw/zinc/24/47/20/184244720.db2.gz QKZLAOKGZXOFBG-GFCCVEGCSA-N 1 0 306.435 2.207 10 0 DEAERO CC[NH2+][C@H](CCSc1ccc(Br)cc1)C(N)=O ZINC000062596945 184244831 /nfs/dbraw/zinc/24/48/31/184244831.db2.gz VXWZNFFIKUPYBI-LLVKDONJSA-N 1 0 317.252 2.395 10 0 DEAERO C[NH2+][C@H](CCSc1cccc(Br)c1)C(N)=O ZINC000062604246 184244968 /nfs/dbraw/zinc/24/49/68/184244968.db2.gz IXOXQBJTYOUDSJ-SNVBAGLBSA-N 1 0 303.225 2.005 10 0 DEAERO CCNC(=O)COc1ccc(C[NH2+]CC)cc1Br ZINC000062701245 184247410 /nfs/dbraw/zinc/24/74/10/184247410.db2.gz GCXYNFJZJFEQFN-UHFFFAOYSA-N 1 0 315.211 2.074 10 0 DEAERO CCNS(=O)(=O)c1ccccc1N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063214795 184278876 /nfs/dbraw/zinc/27/88/76/184278876.db2.gz WCUVYERTGPDLAH-CHWSQXEVSA-N 1 0 311.451 2.057 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000063213780 184279055 /nfs/dbraw/zinc/27/90/55/184279055.db2.gz RRFHMVTXNPLLSZ-ZJUUUORDSA-N 1 0 322.352 2.042 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(OCCCS(C)(=O)=O)c(OC)c1 ZINC000063014358 184266380 /nfs/dbraw/zinc/26/63/80/184266380.db2.gz PATKISBSNLLVFM-LBPRGKRZSA-N 1 0 315.435 2.179 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccccc1Cl ZINC000063168042 184275539 /nfs/dbraw/zinc/27/55/39/184275539.db2.gz KUUACXIUIUPETP-LLVKDONJSA-N 1 0 302.827 2.103 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1Cl ZINC000063168129 184275773 /nfs/dbraw/zinc/27/57/73/184275773.db2.gz NWILORFAMQUALA-LBPRGKRZSA-N 1 0 316.854 2.411 10 0 DEAERO CCc1nn(C)c(C[NH2+]CCCCOCCOC)c1Cl ZINC000159112710 197328630 /nfs/dbraw/zinc/32/86/30/197328630.db2.gz GCTCJLMZTAZWEM-UHFFFAOYSA-N 1 0 303.834 2.169 10 0 DEAERO CC[NH2+]CC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1 ZINC000066225774 184397929 /nfs/dbraw/zinc/39/79/29/184397929.db2.gz FSCWGLGCYWSZJW-UHFFFAOYSA-N 1 0 303.406 2.107 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CCO)C2CCCCC2)C1 ZINC000137209409 207357551 /nfs/dbraw/zinc/35/75/51/207357551.db2.gz RMSFBNJZWHOOLP-CVEARBPZSA-N 1 0 311.470 2.101 10 0 DEAERO CC[NH+](CC)CC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000175706972 207362467 /nfs/dbraw/zinc/36/24/67/207362467.db2.gz IYUBEMCUKULPGY-UHFFFAOYSA-N 1 0 306.410 2.174 10 0 DEAERO CC(C)NC(=O)CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186926723 207368882 /nfs/dbraw/zinc/36/88/82/207368882.db2.gz GJVMTAUKLPFGKB-UHFFFAOYSA-N 1 0 322.424 2.110 10 0 DEAERO Cc1cc(C)nc(S[C@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)n1 ZINC000068640672 184495471 /nfs/dbraw/zinc/49/54/71/184495471.db2.gz HUEARNLMAVDJOT-IUODEOHRSA-N 1 0 310.467 2.206 10 0 DEAERO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)c(C)n1 ZINC000329850708 404470819 /nfs/dbraw/zinc/47/08/19/404470819.db2.gz SMPWQMKDFIYDFF-PZSREKOKSA-N 1 0 315.421 2.255 10 0 DEAERO O=C([C@@H]1COc2ccccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000113185449 194561808 /nfs/dbraw/zinc/56/18/08/194561808.db2.gz OPSFJRKAWVRWAZ-QGZVFWFLSA-N 1 0 314.429 2.497 10 0 DEAERO Brc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)o1 ZINC000365154438 207404155 /nfs/dbraw/zinc/40/41/55/207404155.db2.gz GLXUEYHRFAYHPD-GXFFZTMASA-N 1 0 316.195 2.470 10 0 DEAERO COC[C@H](NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000537675510 285010859 /nfs/dbraw/zinc/01/08/59/285010859.db2.gz NIVAZAUEZWRFFY-WBVHZDCISA-N 1 0 319.449 2.404 10 0 DEAERO CC[NH2+]Cc1ccc(Cl)cc1N(C)CC1(O)CCOCC1 ZINC000161878713 197526159 /nfs/dbraw/zinc/52/61/59/197526159.db2.gz WBGYVZQOMLFNJP-UHFFFAOYSA-N 1 0 312.841 2.427 10 0 DEAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(Br)c(F)c1 ZINC000161901252 197527471 /nfs/dbraw/zinc/52/74/71/197527471.db2.gz KJWOIPZDYBJXAK-CHWSQXEVSA-N 1 0 317.202 2.179 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCCC1(C)C ZINC000150887164 285035159 /nfs/dbraw/zinc/03/51/59/285035159.db2.gz VSURTZWEGWKBMH-LSDHHAIUSA-N 1 0 311.470 2.365 10 0 DEAERO CCN(CC)C(=O)c1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000538315698 285031298 /nfs/dbraw/zinc/03/12/98/285031298.db2.gz KYLALVGHHIENJD-UHFFFAOYSA-N 1 0 319.449 2.192 10 0 DEAERO CC(C)Cn1ncc2cc(C(=O)N(C)CCC[NH+](C)C)cnc21 ZINC000538316789 285031360 /nfs/dbraw/zinc/03/13/60/285031360.db2.gz NQRXEAUDRQCZOJ-UHFFFAOYSA-N 1 0 317.437 2.111 10 0 DEAERO Cc1c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cnn1CC(C)C ZINC000119799238 195039681 /nfs/dbraw/zinc/03/96/81/195039681.db2.gz ZHUGJWAPEPIQQR-XJKSGUPXSA-N 1 0 306.454 2.306 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cnn(C)c1 ZINC000119967824 195072194 /nfs/dbraw/zinc/07/21/94/195072194.db2.gz WQEGHWMUNACSAU-WCQYABFASA-N 1 0 305.813 2.398 10 0 DEAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)o1 ZINC000120003159 195077484 /nfs/dbraw/zinc/07/74/84/195077484.db2.gz XIMYJPZYPXUGQX-DGCLKSJQSA-N 1 0 302.378 2.112 10 0 DEAERO CC1CCN(c2ccc(C(=O)N(C)CCC[NH+](C)C)cn2)CC1 ZINC000539416460 285076813 /nfs/dbraw/zinc/07/68/13/285076813.db2.gz QUVWZQBOBNYRNC-UHFFFAOYSA-N 1 0 318.465 2.342 10 0 DEAERO COc1ccc(CCCC(=O)N(C)CCC[NH+](C)C)c(OC)c1 ZINC000539417331 285076866 /nfs/dbraw/zinc/07/68/66/285076866.db2.gz QQUBDZBVFVBCDF-UHFFFAOYSA-N 1 0 322.449 2.437 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)c1cn[nH]c1)CC2 ZINC000270166251 208229768 /nfs/dbraw/zinc/22/97/68/208229768.db2.gz AVPNBIABWRHQLP-YUELXQCFSA-N 1 0 305.426 2.127 10 0 DEAERO COC(=O)c1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000159235403 197338283 /nfs/dbraw/zinc/33/82/83/197338283.db2.gz DHDTXMLMBLOCAC-SWLSCSKDSA-N 1 0 317.389 2.174 10 0 DEAERO C[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1C1CCS(=O)CC1 ZINC000159207102 197335800 /nfs/dbraw/zinc/33/58/00/197335800.db2.gz HEJJNXQGGIEEJR-OOYBUDEJSA-N 1 0 306.475 2.107 10 0 DEAERO CCCNc1nc(Cl)nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000159183248 197333750 /nfs/dbraw/zinc/33/37/50/197333750.db2.gz AJMIDNNTRJWBBB-WDEREUQCSA-N 1 0 310.833 2.386 10 0 DEAERO C[S@](=O)CCN1CC2(CCCC2)[NH2+]C[C@@H]1c1ccccc1 ZINC000159189697 197333797 /nfs/dbraw/zinc/33/37/97/197333797.db2.gz RELJVERKZUHIKL-IIBYNOLFSA-N 1 0 306.475 2.324 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(C)C)cc(C[NH3+])c1F ZINC000159123729 197329339 /nfs/dbraw/zinc/32/93/39/197329339.db2.gz HPNUPNHDQWYDHJ-CQSZACIVSA-N 1 0 314.426 2.402 10 0 DEAERO [NH3+][C@H](C[S@@](=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCOC1 ZINC000159125377 197329136 /nfs/dbraw/zinc/32/91/36/197329136.db2.gz XVYZENRXFJSFSE-VZURXNMZSA-N 1 0 308.230 2.465 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H]2C)cc(C[NH2+]C2CC2)c1F ZINC000159108407 197327775 /nfs/dbraw/zinc/32/77/75/197327775.db2.gz MCBCIQUYQJXPOC-LKFCYVNXSA-N 1 0 312.410 2.073 10 0 DEAERO CCCC(C[NH3+])(CCC)C(=O)NCCCCOCCOC ZINC000159052884 197322545 /nfs/dbraw/zinc/32/25/45/197322545.db2.gz KTUSCDGSHUFRBB-UHFFFAOYSA-N 1 0 302.459 2.091 10 0 DEAERO CCCOc1ccc(OCC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000540515967 285119425 /nfs/dbraw/zinc/11/94/25/285119425.db2.gz SCSVRNNXGNUJCL-UHFFFAOYSA-N 1 0 308.422 2.264 10 0 DEAERO [NH3+]C1CC(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000159031244 197320701 /nfs/dbraw/zinc/32/07/01/197320701.db2.gz TUDCMRMPBMRUEF-UHFFFAOYSA-N 1 0 303.284 2.444 10 0 DEAERO C[NH2+][C@H](c1sccc1Cl)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000159021023 197319952 /nfs/dbraw/zinc/31/99/52/197319952.db2.gz BFIBBPBGFANCAR-NSHDSACASA-N 1 0 321.789 2.240 10 0 DEAERO O[C@H](CNc1c(F)c(F)c(F)c(F)c1F)C[NH+]1CCCC1 ZINC000158882350 197307956 /nfs/dbraw/zinc/30/79/56/197307956.db2.gz MCUVQSFOXRGKEL-SSDOTTSWSA-N 1 0 310.266 2.251 10 0 DEAERO CCO[C@H](C[NH3+])CC[S@@](=O)c1ccccc1Br ZINC000158840908 197305242 /nfs/dbraw/zinc/30/52/42/197305242.db2.gz XQPRDSQQGYQPHW-BTDLBPIBSA-N 1 0 320.252 2.311 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)C1CCCCC1)[C@H]1CCOC1 ZINC000158833550 197304162 /nfs/dbraw/zinc/30/41/62/197304162.db2.gz NEEYJFQKTXELTP-DZGCQCFKSA-N 1 0 303.468 2.139 10 0 DEAERO CC[NH2+][C@H](Cc1ccccn1)c1c(Br)cnn1C ZINC000158703579 197295566 /nfs/dbraw/zinc/29/55/66/197295566.db2.gz GJWWNWDPTCSVHF-GFCCVEGCSA-N 1 0 309.211 2.471 10 0 DEAERO COc1csc([C@@H](O)c2c(Cl)cnn2CC[NH+](C)C)c1 ZINC000158668495 197292588 /nfs/dbraw/zinc/29/25/88/197292588.db2.gz PMEHPXMNKSPROT-CYBMUJFWSA-N 1 0 315.826 2.250 10 0 DEAERO CCn1ncc(Br)c1[C@H](C[C@H]1CCCO1)[NH2+]C ZINC000158642755 197290873 /nfs/dbraw/zinc/29/08/73/197290873.db2.gz CCLYVZPKIDGKAX-KOLCDFICSA-N 1 0 302.216 2.495 10 0 DEAERO CC1(C)C[N@H+](C[C@H](O)c2ccc(C(N)=S)cc2)CCS1 ZINC000158782789 197300520 /nfs/dbraw/zinc/30/05/20/197300520.db2.gz ZKCBRNHVIARBDI-ZDUSSCGKSA-N 1 0 310.488 2.182 10 0 DEAERO CC[NH2+]Cc1cccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000158762417 197298950 /nfs/dbraw/zinc/29/89/50/197298950.db2.gz DZYUBMSJYLAWGI-HUUCEWRRSA-N 1 0 308.447 2.217 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)CCn1cccn1)c1ccc(S(C)(=O)=O)cc1 ZINC000158721620 197297461 /nfs/dbraw/zinc/29/74/61/197297461.db2.gz BESAJWWMCZPXBN-UONOGXRCSA-N 1 0 321.446 2.416 10 0 DEAERO C[C@@H]1OCC[C@@H]1N(C)[C@@H](C[NH3+])c1ccccc1OC(F)F ZINC000158609335 197287808 /nfs/dbraw/zinc/28/78/08/197287808.db2.gz JBXSAWDCNXFPKI-DRZSPHRISA-N 1 0 300.349 2.397 10 0 DEAERO COc1cc([C@H]2C[C@H]([NH3+])[C@@H]2C)ccc1S(=O)(=O)C(F)F ZINC000158564186 197283990 /nfs/dbraw/zinc/28/39/90/197283990.db2.gz JKGOKDZOQDZLEH-JEZHCXPESA-N 1 0 305.346 2.142 10 0 DEAERO NC(=[NH2+])c1cc(C(F)(F)F)ccc1NS(=O)(=O)CC1CC1 ZINC000158493420 197277786 /nfs/dbraw/zinc/27/77/86/197277786.db2.gz DHWQMYJXLRTPLP-UHFFFAOYSA-N 1 0 321.324 2.141 10 0 DEAERO [NH3+]C1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1 ZINC000157605688 197201038 /nfs/dbraw/zinc/20/10/38/197201038.db2.gz ZFQDTGDSTPLFPN-UHFFFAOYSA-N 1 0 304.781 2.089 10 0 DEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCCCC(F)(F)F)C1(C)C ZINC000157513000 197192909 /nfs/dbraw/zinc/19/29/09/197192909.db2.gz ZDFUTQLWRFUVPE-MFKMUULPSA-N 1 0 310.360 2.368 10 0 DEAERO CC[C@@H](C(=O)N[C@H](C)c1ccccc1-n1cccn1)[NH+](C)C ZINC000157469135 197189734 /nfs/dbraw/zinc/18/97/34/197189734.db2.gz RUJUVMUXEHDGQO-HIFRSBDPSA-N 1 0 300.406 2.390 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000157382275 197183631 /nfs/dbraw/zinc/18/36/31/197183631.db2.gz IZALVJZJJHEHDX-INIZCTEOSA-N 1 0 323.437 2.403 10 0 DEAERO C/C(=C\[C@@H]1CCCN(S(C)(=O)=O)C1)C[C@@H]1CCCC[NH2+]1 ZINC000157298126 197177677 /nfs/dbraw/zinc/17/76/77/197177677.db2.gz SSJBNQVZOKBJAE-CMOQBRTCSA-N 1 0 300.468 2.137 10 0 DEAERO O[C@@H](Cc1cccc(F)c1Br)C1CC[NH2+]CC1 ZINC000157134500 197164861 /nfs/dbraw/zinc/16/48/61/197164861.db2.gz OHOAPURPWNUSKC-LBPRGKRZSA-N 1 0 302.187 2.491 10 0 DEAERO Cc1cc2sc(C(=O)NC[C@@H](C)[NH+](C)C)c(N)c2c(C)n1 ZINC000157017601 197155520 /nfs/dbraw/zinc/15/55/20/197155520.db2.gz SJCKODGVASOYQV-SECBINFHSA-N 1 0 306.435 2.175 10 0 DEAERO C[C@](O)(Cc1sccc1Br)C[C@H]1COCC[NH2+]1 ZINC000156858974 197146141 /nfs/dbraw/zinc/14/61/41/197146141.db2.gz CVLMZVIERRRRQC-JOYOIKCWSA-N 1 0 320.252 2.183 10 0 DEAERO Cc1cc(Sc2nnc(N(C)C)s2)c(C(N)=[NH2+])c(C)n1 ZINC000156836055 197143847 /nfs/dbraw/zinc/14/38/47/197143847.db2.gz AIXWXGOWEHFAKK-UHFFFAOYSA-N 1 0 308.436 2.051 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CCN1c1ccccc1S(=O)(=O)C(F)(F)F ZINC000156241578 197098246 /nfs/dbraw/zinc/09/82/46/197098246.db2.gz CNEKEJIKJMVGGO-VHSXEESVSA-N 1 0 322.352 2.296 10 0 DEAERO Cn1cc([C@@H]2CCCN2C(=O)c2cccc(C[NH+](C)C)c2)cn1 ZINC000156219447 197096503 /nfs/dbraw/zinc/09/65/03/197096503.db2.gz AKQBXXDLYDNBIX-KRWDZBQOSA-N 1 0 312.417 2.459 10 0 DEAERO COC(=O)c1sccc1NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000156124704 197087565 /nfs/dbraw/zinc/08/75/65/197087565.db2.gz ZUDGVJXADCDVGQ-GHMZBOCLSA-N 1 0 310.419 2.499 10 0 DEAERO CN(C[C@@H]1CC=CCC1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000542264037 285215769 /nfs/dbraw/zinc/21/57/69/285215769.db2.gz VGTYFBZTXYRNGY-QGZVFWFLSA-N 1 0 322.497 2.012 10 0 DEAERO Cc1sc(C[NH2+]C(C)C)cc1CN1CCS(=O)CC1 ZINC000156077399 197085000 /nfs/dbraw/zinc/08/50/00/197085000.db2.gz MTCGXJVUVBFRJW-UHFFFAOYSA-N 1 0 300.493 2.119 10 0 DEAERO CC(C)[C@H]([NH3+])CNC(=O)c1cccc(F)c1Br ZINC000155999513 197079382 /nfs/dbraw/zinc/07/93/82/197079382.db2.gz MKPWVMYHSYUDPJ-SNVBAGLBSA-N 1 0 303.175 2.301 10 0 DEAERO O=C(NCC[C@@H]1CC[NH2+]C1)c1cccc(F)c1Br ZINC000155990751 197079169 /nfs/dbraw/zinc/07/91/69/197079169.db2.gz YHAHXYHECRFMJO-VIFPVBQESA-N 1 0 315.186 2.318 10 0 DEAERO CC1CCC2(CSC(NC[C@H]3CCCS3(=O)=O)=[NH+]2)CC1 ZINC000155417847 197052817 /nfs/dbraw/zinc/05/28/17/197052817.db2.gz OVUWZEXSEKMKFR-MBHSVXNSSA-N 1 0 316.492 2.205 10 0 DEAERO COc1cccc(CCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000155397718 197051739 /nfs/dbraw/zinc/05/17/39/197051739.db2.gz COIXCICPAGYJRA-PBHICJAKSA-N 1 0 304.434 2.473 10 0 DEAERO CCOc1cccnc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000155206348 197031883 /nfs/dbraw/zinc/03/18/83/197031883.db2.gz FEWXSBKLIYMUGM-UONOGXRCSA-N 1 0 303.406 2.037 10 0 DEAERO COc1cccc(OCC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000155136306 197025166 /nfs/dbraw/zinc/02/51/66/197025166.db2.gz HWMUTTWXGLHSHG-ZDUSSCGKSA-N 1 0 305.296 2.073 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000175353078 285240083 /nfs/dbraw/zinc/24/00/83/285240083.db2.gz WJZDQXIFXMKIFR-CYBMUJFWSA-N 1 0 322.453 2.327 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000542748684 285247021 /nfs/dbraw/zinc/24/70/21/285247021.db2.gz OTVQOASZOZCABR-UHFFFAOYSA-N 1 0 320.412 2.443 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1coc(Br)c1 ZINC000120882413 195257288 /nfs/dbraw/zinc/25/72/88/195257288.db2.gz FMWKGZQKSLINES-KOLCDFICSA-N 1 0 315.211 2.454 10 0 DEAERO C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000289726469 221183779 /nfs/dbraw/zinc/18/37/79/221183779.db2.gz JVQSRLFBGRANMI-CHWSQXEVSA-N 1 0 308.426 2.155 10 0 DEAERO C1CC1c1nnsc1-c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000290001908 221371683 /nfs/dbraw/zinc/37/16/83/221371683.db2.gz ZVISMKWVEWSWLD-UWVGGRQHSA-N 1 0 319.390 2.001 10 0 DEAERO CN(C)C(=O)COC[C@]12CCC[C@H]1C[N@H+](Cc1cccs1)C2 ZINC000248043609 257110445 /nfs/dbraw/zinc/11/04/45/257110445.db2.gz WBQIDQQUBTXGFB-WMLDXEAASA-N 1 0 322.474 2.455 10 0 DEAERO Cc1nnc([C@@H]2C[C@@H]3OCC[C@@H]3[N@H+](Cc3cccc(C)n3)C2)o1 ZINC000248041605 257110756 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133323500 /nfs/dbraw/zinc/32/35/00/133323500.db2.gz FUFDJYTYQAXKTN-ZDUSSCGKSA-N 1 0 307.390 2.061 10 0 DEAERO CC[NH+](CC)CC(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000377357403 133327062 /nfs/dbraw/zinc/32/70/62/133327062.db2.gz AXIQXMGHKSXUJE-UHFFFAOYSA-N 1 0 310.467 2.196 10 0 DEAERO CC(=O)CCC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000372980137 133372635 /nfs/dbraw/zinc/37/26/35/133372635.db2.gz NDXSCEAXIHSVNI-UHFFFAOYSA-N 1 0 320.355 2.277 10 0 DEAERO NC(=S)c1cc(N2CCC(C[NH+]3CCCC3)CC2)ccn1 ZINC000062035078 134804355 /nfs/dbraw/zinc/80/43/55/134804355.db2.gz XCHUCFIUKCTNTJ-UHFFFAOYSA-N 1 0 304.463 2.028 10 0 DEAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCOCC2CCC2)C1 ZINC000564695109 292105188 /nfs/dbraw/zinc/10/51/88/292105188.db2.gz KNZXIGHWCSVFBE-MRXNPFEDSA-N 1 0 311.470 2.223 10 0 DEAERO C[C@H]1CC[C@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)O1 ZINC000130048236 144751192 /nfs/dbraw/zinc/75/11/92/144751192.db2.gz SVOMPFKFBJIDRU-WMLDXEAASA-N 1 0 302.418 2.466 10 0 DEAERO C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000134155932 144778171 /nfs/dbraw/zinc/77/81/71/144778171.db2.gz IFNSVOROZODFKJ-OAHLLOKOSA-N 1 0 308.466 2.384 10 0 DEAERO C[C@@H]1CC[C@@H](C)N(C(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000183221184 144927138 /nfs/dbraw/zinc/92/71/38/144927138.db2.gz VFRYCNVPKXUIQV-ZIAGYGMSSA-N 1 0 305.422 2.283 10 0 DEAERO O=C(Cc1noc2ccccc12)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188664761 145015376 /nfs/dbraw/zinc/01/53/76/145015376.db2.gz DOOWGKKEDDAPFI-UHFFFAOYSA-N 1 0 307.353 2.290 10 0 DEAERO COc1ccc(O)cc1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000188759489 145017456 /nfs/dbraw/zinc/01/74/56/145017456.db2.gz LFCBGYOESBTWGR-HZSPNIEDSA-N 1 0 320.433 2.497 10 0 DEAERO Cc1c2ccccc2oc(=O)c1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188825676 145017762 /nfs/dbraw/zinc/01/77/62/145017762.db2.gz IGHSQRRHTYFWEY-UHFFFAOYSA-N 1 0 312.369 2.022 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2cc(C)c(O)c(C)c2)C1 ZINC000188892591 145019137 /nfs/dbraw/zinc/01/91/37/145019137.db2.gz DRTMWTTZGDCMFT-INIZCTEOSA-N 1 0 319.449 2.335 10 0 DEAERO CSCCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188992420 145020610 /nfs/dbraw/zinc/02/06/10/145020610.db2.gz MWMSNORINBWTJM-RISCZKNCSA-N 1 0 314.401 2.280 10 0 DEAERO CCOC[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C(C)C ZINC000189520836 145029054 /nfs/dbraw/zinc/02/90/54/145029054.db2.gz YFZOCZJBBBLKML-IRXDYDNUSA-N 1 0 306.450 2.337 10 0 DEAERO CCc1cccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000189575625 145030260 /nfs/dbraw/zinc/03/02/60/145030260.db2.gz FDZVRLPUKFOQEF-QGZVFWFLSA-N 1 0 322.474 2.249 10 0 DEAERO Cc1ncsc1CC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189640265 145031348 /nfs/dbraw/zinc/03/13/48/145031348.db2.gz BJPPDVBIAWCRFB-UHFFFAOYSA-N 1 0 317.462 2.417 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1cn(-c2ccccc2)nn1 ZINC000189970724 145036440 /nfs/dbraw/zinc/03/64/40/145036440.db2.gz YPZGQXCDBWSWSU-PWSUYJOCSA-N 1 0 314.311 2.231 10 0 DEAERO COc1cccc([C@@H]2[C@@H](NC(=O)N(C)OC)CC[N@@H+]2C2CC2)c1 ZINC000190151000 145038895 /nfs/dbraw/zinc/03/88/95/145038895.db2.gz FGFNPTWBZVMMMM-JKSUJKDBSA-N 1 0 319.405 2.176 10 0 DEAERO C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1CCO ZINC000190243172 145039945 /nfs/dbraw/zinc/03/99/45/145039945.db2.gz FPJQFWZLFRRRSR-NSHDSACASA-N 1 0 303.233 2.492 10 0 DEAERO CSCC[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190498273 145043972 /nfs/dbraw/zinc/04/39/72/145043972.db2.gz HFQFXXTUPOMCLR-AWEZNQCLSA-N 1 0 316.511 2.477 10 0 DEAERO CO[C@@H](C)[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000190661274 145045543 /nfs/dbraw/zinc/04/55/43/145045543.db2.gz BGUGHQORWOQIFS-HOTGVXAUSA-N 1 0 321.465 2.492 10 0 DEAERO CCc1nnc(C2CC[NH+]([C@@H](C)C(=O)NC(C)(C)CC)CC2)[nH]1 ZINC000190683928 145046172 /nfs/dbraw/zinc/04/61/72/145046172.db2.gz IGFZIHCJUKDVKN-LBPRGKRZSA-N 1 0 321.469 2.240 10 0 DEAERO CCN(C)c1ccc(C[NH2+]CCc2c(C)nn(C)c2C)cn1 ZINC000190729743 145047336 /nfs/dbraw/zinc/04/73/36/145047336.db2.gz FZKLMQFNDNGGFC-UHFFFAOYSA-N 1 0 301.438 2.220 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000190981213 145051230 /nfs/dbraw/zinc/05/12/30/145051230.db2.gz YNOLFYQBGPIHOB-RHSMWYFYSA-N 1 0 313.486 2.347 10 0 DEAERO O[C@H](CC1CCCC1)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000191333923 145056417 /nfs/dbraw/zinc/05/64/17/145056417.db2.gz YLVSMMJHBRPYHW-MRXNPFEDSA-N 1 0 304.438 2.294 10 0 DEAERO Cc1ncccc1C[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000191907630 145067464 /nfs/dbraw/zinc/06/74/64/145067464.db2.gz DGXSQRBZPDOARP-UHFFFAOYSA-N 1 0 301.394 2.219 10 0 DEAERO CC(=O)c1c[nH]c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000192774658 145078883 /nfs/dbraw/zinc/07/88/83/145078883.db2.gz CEJIICQAKHHXRP-UHFFFAOYSA-N 1 0 303.406 2.165 10 0 DEAERO c1ncn([C@H]2CCC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)n1 ZINC000193245931 145083748 /nfs/dbraw/zinc/08/37/48/145083748.db2.gz UBFXHSWKXHKZHK-KRWDZBQOSA-N 1 0 312.417 2.483 10 0 DEAERO CC[NH+](CC)CCN1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000193474119 145086426 /nfs/dbraw/zinc/08/64/26/145086426.db2.gz HFGHQVXEGFLLNF-MRXNPFEDSA-N 1 0 318.465 2.382 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1ccccc1 ZINC000245437626 145092444 /nfs/dbraw/zinc/09/24/44/145092444.db2.gz ROWSIXRXLIEBJB-CVEARBPZSA-N 1 0 322.474 2.019 10 0 DEAERO Cc1ccc(OCCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246133362 145093323 /nfs/dbraw/zinc/09/33/23/145093323.db2.gz JBDLRHWQUIZCEQ-JKSUJKDBSA-N 1 0 319.449 2.498 10 0 DEAERO C[C@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000246412859 145102353 /nfs/dbraw/zinc/10/23/53/145102353.db2.gz KDKBMYDSMDNTIB-MAUKXSAKSA-N 1 0 322.424 2.247 10 0 DEAERO COc1cccc(OCC[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1 ZINC000246509317 145104677 /nfs/dbraw/zinc/10/46/77/145104677.db2.gz KKZPOURMJHITDH-KBAYOESNSA-N 1 0 321.417 2.342 10 0 DEAERO CN(CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000246513998 145104696 /nfs/dbraw/zinc/10/46/96/145104696.db2.gz UWGRMGCEWYTMEP-KRWDZBQOSA-N 1 0 316.449 2.003 10 0 DEAERO c1ccc(-c2noc(CCCN3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000246599303 145108178 /nfs/dbraw/zinc/10/81/78/145108178.db2.gz GDPVRUVPXKDKOI-INIZCTEOSA-N 1 0 312.417 2.449 10 0 DEAERO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)CN2CCOCC2)c1C ZINC000246679240 145110321 /nfs/dbraw/zinc/11/03/21/145110321.db2.gz JUEOUNKVRPGKQB-PKOBYXMFSA-N 1 0 318.461 2.133 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000246701364 145111264 /nfs/dbraw/zinc/11/12/64/145111264.db2.gz ZJOSJJFAVQJHJE-QWHCGFSZSA-N 1 0 314.426 2.237 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC000246731766 145111811 /nfs/dbraw/zinc/11/18/11/145111811.db2.gz YJRGIMOUDGVOKJ-OIISXLGYSA-N 1 0 320.408 2.225 10 0 DEAERO COc1cccc(NC(=O)C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246790364 145114826 /nfs/dbraw/zinc/11/48/26/145114826.db2.gz RFBJUMDEWWRFGH-XJKSGUPXSA-N 1 0 304.390 2.135 10 0 DEAERO CN(Cc1cccs1)C(=O)C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246820962 145116025 /nfs/dbraw/zinc/11/60/25/145116025.db2.gz SFQBFXPNZOBVGK-DZGCQCFKSA-N 1 0 308.447 2.207 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCC(C)CC1 ZINC000246914611 145119182 /nfs/dbraw/zinc/11/91/82/145119182.db2.gz GFDAEFRMWICRJD-WBVHZDCISA-N 1 0 318.465 2.303 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1nc(C(C)C)no1 ZINC000246936744 145119821 /nfs/dbraw/zinc/11/98/21/145119821.db2.gz KLVFIDFFKIMWFJ-KBPBESRZSA-N 1 0 320.437 2.211 10 0 DEAERO CC(C)CNC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246971166 145121171 /nfs/dbraw/zinc/12/11/71/145121171.db2.gz VKKLQTXYNNSPBI-DLBZAZTESA-N 1 0 322.424 2.486 10 0 DEAERO CC[C@@H]1CN(C(=O)c2cc(C)ccc2C)CC[N@@H+]1C[C@H](C)O ZINC000247043837 145124582 /nfs/dbraw/zinc/12/45/82/145124582.db2.gz YCCHWTZRMLFHIB-JKSUJKDBSA-N 1 0 304.434 2.221 10 0 DEAERO C[C@H](O)c1ccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000247081197 145125899 /nfs/dbraw/zinc/12/58/99/145125899.db2.gz HUUMAUZYUIYGMX-ZQIUZPCESA-N 1 0 317.433 2.118 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247156319 145127379 /nfs/dbraw/zinc/12/73/79/145127379.db2.gz AHONXBUTUIYUNX-ZFWWWQNUSA-N 1 0 318.417 2.260 10 0 DEAERO Cc1ccc(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1C ZINC000247210682 145128774 /nfs/dbraw/zinc/12/87/74/145128774.db2.gz LYTONQBTULODCZ-WBVHZDCISA-N 1 0 301.434 2.410 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247227261 145129609 /nfs/dbraw/zinc/12/96/09/145129609.db2.gz QZVSKRYDEWEFGC-AAEUAGOBSA-N 1 0 309.360 2.072 10 0 DEAERO CS[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247261312 145131292 /nfs/dbraw/zinc/13/12/92/145131292.db2.gz QJUBGKKNXGXTJY-UMVBOHGHSA-N 1 0 307.463 2.160 10 0 DEAERO Cc1ccc(N2CCC([NH2+][C@@H]3CCN(C)[C@@H](C)C3)CC2)nc1 ZINC000247954904 145145720 /nfs/dbraw/zinc/14/57/20/145145720.db2.gz FKNGOKXCQXWAFS-DOTOQJQBSA-N 1 0 302.466 2.431 10 0 DEAERO CN(C)C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248068984 145147334 /nfs/dbraw/zinc/14/73/34/145147334.db2.gz MLAMCWZKUHHNII-ROUUACIJSA-N 1 0 315.461 2.061 10 0 DEAERO COc1cccc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248132758 145148283 /nfs/dbraw/zinc/14/82/83/145148283.db2.gz ORQOIWJATVLHND-WMLDXEAASA-N 1 0 317.433 2.050 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccco4)o3)CC[C@H]21 ZINC000248132865 145148586 /nfs/dbraw/zinc/14/85/86/145148586.db2.gz OSCKUOPCILOECM-CHWSQXEVSA-N 1 0 302.378 2.246 10 0 DEAERO COc1cccc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248132752 145148666 /nfs/dbraw/zinc/14/86/66/145148666.db2.gz ORQOIWJATVLHND-RHSMWYFYSA-N 1 0 317.433 2.050 10 0 DEAERO Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)c1 ZINC000248451637 145155689 /nfs/dbraw/zinc/15/56/89/145155689.db2.gz JDRFDINHNDVTDH-FUHWJXTLSA-N 1 0 316.445 2.388 10 0 DEAERO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000248485039 145156704 /nfs/dbraw/zinc/15/67/04/145156704.db2.gz KKFFOEDMLDVCIS-ZWNOBZJWSA-N 1 0 314.311 2.183 10 0 DEAERO COc1ccc(F)cc1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000248476597 145156896 /nfs/dbraw/zinc/15/68/96/145156896.db2.gz NUEMESDSZXELLB-WFASDCNBSA-N 1 0 306.381 2.072 10 0 DEAERO CC(C)OCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248554943 145158738 /nfs/dbraw/zinc/15/87/38/145158738.db2.gz HVSUIAHQYXDNAR-CVEARBPZSA-N 1 0 305.422 2.156 10 0 DEAERO CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000248571194 145159254 /nfs/dbraw/zinc/15/92/54/145159254.db2.gz RAZAYGWIUBOXBQ-PBHICJAKSA-N 1 0 302.422 2.316 10 0 DEAERO CC(C)[C@](C)(O)C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000248570842 145159355 /nfs/dbraw/zinc/15/93/55/145159355.db2.gz QVQQJIVPFJAURT-DOTOQJQBSA-N 1 0 308.397 2.270 10 0 DEAERO C[C@H](NC(=O)[C@H]1CCOC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000248840051 145170230 /nfs/dbraw/zinc/17/02/30/145170230.db2.gz FNVPUIMISCJKLL-YQFWSFKMSA-N 1 0 304.434 2.467 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248901823 145172950 /nfs/dbraw/zinc/17/29/50/145172950.db2.gz UNGGEJQDQFJNEV-QBPKDAKJSA-N 1 0 321.465 2.212 10 0 DEAERO CC[C@@H](C[N@H+](CC)C[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000249409233 145183867 /nfs/dbraw/zinc/18/38/67/145183867.db2.gz DVFSEUGEKINIIF-PKOBYXMFSA-N 1 0 320.477 2.195 10 0 DEAERO COc1ccc([C@@H]2CCCN2C(=O)CN2CCO[C@@H](C)C2)cc1 ZINC000249711427 145189189 /nfs/dbraw/zinc/18/91/89/145189189.db2.gz FBQTVSWMZSZYDC-YOEHRIQHSA-N 1 0 318.417 2.079 10 0 DEAERO COCOc1ccc(OC)cc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249763664 145190127 /nfs/dbraw/zinc/19/01/27/145190127.db2.gz ICIOWKRMVOHLQE-UXLLHSPISA-N 1 0 307.390 2.335 10 0 DEAERO O[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249866011 145190853 /nfs/dbraw/zinc/19/08/53/145190853.db2.gz HYJAURCAAHAANF-ROUUACIJSA-N 1 0 311.429 2.419 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000251537813 145194803 /nfs/dbraw/zinc/19/48/03/145194803.db2.gz DMTZVBAFKDSAEC-GRDNDAEWSA-N 1 0 320.433 2.229 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC[C@@H]1C ZINC000251864545 145196843 /nfs/dbraw/zinc/19/68/43/145196843.db2.gz ONOVJJQBVUPFLB-KCQAQPDRSA-N 1 0 322.474 2.378 10 0 DEAERO COC(=O)CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000251852198 145197086 /nfs/dbraw/zinc/19/70/86/145197086.db2.gz QLVIGIIABPHVMA-CRAIPNDOSA-N 1 0 318.417 2.281 10 0 DEAERO c1ccc(CN2CCCO[C@H](C[NH2+][C@H]3CCSC3)C2)cc1 ZINC000253335902 145201603 /nfs/dbraw/zinc/20/16/03/145201603.db2.gz AXHVUPOEWIHRSD-DLBZAZTESA-N 1 0 306.475 2.373 10 0 DEAERO CN(C)c1cccc(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000253354246 145201944 /nfs/dbraw/zinc/20/19/44/145201944.db2.gz JDHIEPOFUCOUDJ-AEFFLSMTSA-N 1 0 315.461 2.380 10 0 DEAERO COc1ccccc1/C=C\CN1CC[NH+](CC(C)(C)O)CC1 ZINC000255030106 145203145 /nfs/dbraw/zinc/20/31/45/145203145.db2.gz VBVCUUCOTRNMQS-VURMDHGXSA-N 1 0 304.434 2.097 10 0 DEAERO CCn1cc(Br)cc1C(=O)N1CCC([NH2+]C)CC1 ZINC000261555311 145207454 /nfs/dbraw/zinc/20/74/54/145207454.db2.gz BHLIMLNZWMNLQY-UHFFFAOYSA-N 1 0 314.227 2.095 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000261616581 145211110 /nfs/dbraw/zinc/21/11/10/145211110.db2.gz AIEGAGRYZXTNRM-DLBZAZTESA-N 1 0 312.417 2.065 10 0 DEAERO O=C(NCc1nc(-c2cccc3ccccc32)no1)[C@H]1CCC[NH2+]1 ZINC000261640474 145212995 /nfs/dbraw/zinc/21/29/95/145212995.db2.gz DFJODOHFLPWTCR-OAHLLOKOSA-N 1 0 322.368 2.258 10 0 DEAERO CC[C@H](C(=O)N(CC[NH3+])CCc1ccccc1)[NH+](CC)CC ZINC000261658107 145214535 /nfs/dbraw/zinc/21/45/35/145214535.db2.gz FBFKTURILZYOFB-QGZVFWFLSA-N 1 0 305.466 2.137 10 0 DEAERO Cc1cccc(OCC(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000261691471 145217408 /nfs/dbraw/zinc/21/74/08/145217408.db2.gz IKPXAZRIZLBONY-UHFFFAOYSA-N 1 0 312.413 2.404 10 0 DEAERO C[C@H]1CCN(C(=O)CCc2nc3ccccc3o2)[C@@H](C[NH3+])C1 ZINC000261693939 145217836 /nfs/dbraw/zinc/21/78/36/145217836.db2.gz FCELAYCBKWNXBL-QWHCGFSZSA-N 1 0 301.390 2.346 10 0 DEAERO CCC(=O)c1ccc(OCC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261712317 145219095 /nfs/dbraw/zinc/21/90/95/145219095.db2.gz GHKHEGNLGWXRCD-ZFWWWQNUSA-N 1 0 318.417 2.244 10 0 DEAERO [NH3+][C@@H]1CN(C(=O)c2ccc3c(c2)CCN3)C[C@H]1c1ccccc1 ZINC000261732081 145221120 /nfs/dbraw/zinc/22/11/20/145221120.db2.gz LZRIKTOOMRLTEH-DLBZAZTESA-N 1 0 307.397 2.222 10 0 DEAERO Cc1ccc(O)c(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)n1 ZINC000261753334 145222967 /nfs/dbraw/zinc/22/29/67/145222967.db2.gz QIMSWUHGXOXAMJ-INIZCTEOSA-N 1 0 301.365 2.381 10 0 DEAERO Cc1c(Cc2nc(C3([NH3+])CCC3)no2)nnn1-c1ccc(C)cc1 ZINC000261768455 145224193 /nfs/dbraw/zinc/22/41/93/145224193.db2.gz DMEKFFIFKUZQGB-UHFFFAOYSA-N 1 0 324.388 2.196 10 0 DEAERO Cc1ccc(OCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000261770734 145224374 /nfs/dbraw/zinc/22/43/74/145224374.db2.gz KHZZXKKQYZDUGI-IYBDPMFKSA-N 1 0 302.418 2.140 10 0 DEAERO CN(Cc1cccc(C(F)(F)F)c1)C(=O)C1([NH3+])CCOCC1 ZINC000261789808 145226821 /nfs/dbraw/zinc/22/68/21/145226821.db2.gz IBDNDBZMWJQCRX-UHFFFAOYSA-N 1 0 316.323 2.172 10 0 DEAERO COc1ccccc1NC(=O)[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261815846 145229787 /nfs/dbraw/zinc/22/97/87/145229787.db2.gz PCBVHLAIQUBYDI-WFASDCNBSA-N 1 0 305.422 2.081 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCN1c2ccccc2CC[C@@H]1C ZINC000261820812 145230729 /nfs/dbraw/zinc/23/07/29/145230729.db2.gz NNFDMHVKCSIRFK-XHSDSOJGSA-N 1 0 315.461 2.414 10 0 DEAERO C[C@H](C(=O)Nc1c(F)cccc1F)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261845355 145232961 /nfs/dbraw/zinc/23/29/61/145232961.db2.gz QXCDTBMCEWSXIA-MFKMUULPSA-N 1 0 311.376 2.351 10 0 DEAERO CC(C)c1nc([C@H]2CCCN2C(=O)CC[C@@H]2CC[NH2+]C2)no1 ZINC000261847423 145233288 /nfs/dbraw/zinc/23/32/88/145233288.db2.gz OLELELXFEHYUBC-CHWSQXEVSA-N 1 0 306.410 2.246 10 0 DEAERO Cc1ccc(NC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)c(C)c1 ZINC000261854868 145233796 /nfs/dbraw/zinc/23/37/96/145233796.db2.gz VWDOUYHWLHOEPX-SFHVURJKSA-N 1 0 324.428 2.283 10 0 DEAERO CCOc1ccc2c(c1)C[C@H](c1nc(C[C@@H](C)[NH2+]C)no1)CO2 ZINC000261862777 145235088 /nfs/dbraw/zinc/23/50/88/145235088.db2.gz UMEWBRUVGYFIMC-YPMHNXCESA-N 1 0 317.389 2.337 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261886297 145237806 /nfs/dbraw/zinc/23/78/06/145237806.db2.gz VDBROJKLYIUWMX-JQWIXIFHSA-N 1 0 310.829 2.121 10 0 DEAERO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C1([NH3+])CCOCC1 ZINC000261890938 145238293 /nfs/dbraw/zinc/23/82/93/145238293.db2.gz QLSWNPUFSLWAKK-AWEZNQCLSA-N 1 0 320.433 2.296 10 0 DEAERO C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)CC[C@@H]1c1ccccc1 ZINC000261900768 145239106 /nfs/dbraw/zinc/23/91/06/145239106.db2.gz RQWRESKDXQFPOG-ZBFHGGJFSA-N 1 0 302.418 2.147 10 0 DEAERO C[C@@H]1CCc2ccccc2N1C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261904481 145240086 /nfs/dbraw/zinc/24/00/86/145240086.db2.gz WWDVPIFZTPDPJT-PBHICJAKSA-N 1 0 315.461 2.414 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261910868 145240809 /nfs/dbraw/zinc/24/08/09/145240809.db2.gz QEUHSYJGUZOUQU-JTDSTZFVSA-N 1 0 316.445 2.486 10 0 DEAERO Cc1coc(-c2cc(NC(=O)C3([NH3+])CCOCC3)ccc2C)n1 ZINC000261922563 145242688 /nfs/dbraw/zinc/24/26/88/145242688.db2.gz VGKHAGJVQGHRHE-UHFFFAOYSA-N 1 0 315.373 2.405 10 0 DEAERO Cn1cc([C@@H](NC(=O)[C@H]2CC23CC[NH2+]CC3)C(C)(C)C)cn1 ZINC000261926485 145242764 /nfs/dbraw/zinc/24/27/64/145242764.db2.gz JZIFAIIDBXFMCP-ZIAGYGMSSA-N 1 0 304.438 2.013 10 0 DEAERO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261923760 145242843 /nfs/dbraw/zinc/24/28/43/145242843.db2.gz YYKBWFZIVGEPHB-YGRLFVJLSA-N 1 0 311.376 2.351 10 0 DEAERO COc1ccccc1[C@]1(C)C[C@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261926973 145242849 /nfs/dbraw/zinc/24/28/49/145242849.db2.gz YJBSILOUYFNEEE-QBIMZIAESA-N 1 0 302.418 2.231 10 0 DEAERO COc1c(C)cc(CN2CC[NH2+]C[C@H]2c2nccn2C)cc1C ZINC000261929140 145243541 /nfs/dbraw/zinc/24/35/41/145243541.db2.gz COPGLSLSQMLAQT-INIZCTEOSA-N 1 0 314.433 2.192 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000261940041 145244991 /nfs/dbraw/zinc/24/49/91/145244991.db2.gz UQDLGVYBTCTAEJ-TVEAVKIZSA-N 1 0 314.429 2.191 10 0 DEAERO C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000261946344 145245763 /nfs/dbraw/zinc/24/57/63/145245763.db2.gz VRBRUMDLCUIXGC-FVQSIRDASA-N 1 0 316.445 2.439 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C12CCC2 ZINC000261958372 145247387 /nfs/dbraw/zinc/24/73/87/145247387.db2.gz PFIWJUZMMVREIE-OVYGPGRDSA-N 1 0 308.466 2.081 10 0 DEAERO Cc1nc2ccccc2n1CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000261968982 145248077 /nfs/dbraw/zinc/24/80/77/145248077.db2.gz YSAQAZXRFLLOMW-INIZCTEOSA-N 1 0 314.433 2.239 10 0 DEAERO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000262016881 145253811 /nfs/dbraw/zinc/25/38/11/145253811.db2.gz ICVWXWKFPRUQLT-UHFFFAOYSA-N 1 0 314.451 2.108 10 0 DEAERO CC1(C)CN(C(=O)c2c[nH]nc2-c2ccccc2F)CC[C@H]1[NH3+] ZINC000262034719 145255306 /nfs/dbraw/zinc/25/53/06/145255306.db2.gz PPRQLKCABYXCTI-CQSZACIVSA-N 1 0 316.380 2.415 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1OC[C@@H]1CCCCO1)C1C[NH2+]C1 ZINC000262052343 145257903 /nfs/dbraw/zinc/25/79/03/145257903.db2.gz HOMFCLFMZGMPQG-HIFRSBDPSA-N 1 0 318.417 2.429 10 0 DEAERO O=C(C[C@@H]1COCC[NH2+]1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000262067131 145258440 /nfs/dbraw/zinc/25/84/40/145258440.db2.gz JFSNNWZGJMUPQN-GDBMZVCRSA-N 1 0 308.809 2.286 10 0 DEAERO Fc1ccccc1OCCN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000262117979 145263170 /nfs/dbraw/zinc/26/31/70/145263170.db2.gz BSUVJVNSUVXRPY-MRXNPFEDSA-N 1 0 301.365 2.246 10 0 DEAERO O=C(C[C@H]1COCC[NH2+]1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000262161669 145266638 /nfs/dbraw/zinc/26/66/38/145266638.db2.gz JFSNNWZGJMUPQN-HOCLYGCPSA-N 1 0 308.809 2.286 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N(C)CCCc2nc3ccccc3[nH]2)CC[NH2+]1 ZINC000262313077 145275718 /nfs/dbraw/zinc/27/57/18/145275718.db2.gz BPZCAKJNVAZACX-KBPBESRZSA-N 1 0 314.433 2.342 10 0 DEAERO CC[NH2+][C@H](C)CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000262333893 145277482 /nfs/dbraw/zinc/27/74/82/145277482.db2.gz FVPMRYNFFBVGAQ-ZOWXZIJZSA-N 1 0 303.406 2.009 10 0 DEAERO CC[NH2+][C@H](C)CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000262333886 145277535 /nfs/dbraw/zinc/27/75/35/145277535.db2.gz FVPMRYNFFBVGAQ-LALPHHSUSA-N 1 0 303.406 2.009 10 0 DEAERO C[C@H](CC1CCCC1)C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262370155 145279430 /nfs/dbraw/zinc/27/94/30/145279430.db2.gz LXTJTUCBMWDKMM-GFCCVEGCSA-N 1 0 319.453 2.437 10 0 DEAERO CC(C)c1ccc(NC(=O)CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000262443410 145284247 /nfs/dbraw/zinc/28/42/47/145284247.db2.gz GZPYJMMUYVIBRD-WBVHZDCISA-N 1 0 301.434 2.432 10 0 DEAERO O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000262469869 145286213 /nfs/dbraw/zinc/28/62/13/145286213.db2.gz JEMAWBMCBIERFW-ZACQAIPSSA-N 1 0 302.418 2.413 10 0 DEAERO CCOc1ccc(NC(=O)[C@]2(CCOC)CC[NH2+]C2)c(C)c1 ZINC000262497641 145288116 /nfs/dbraw/zinc/28/81/16/145288116.db2.gz IIDIBLURMWEZLW-KRWDZBQOSA-N 1 0 306.406 2.348 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000262534158 145290795 /nfs/dbraw/zinc/29/07/95/145290795.db2.gz MJUVDAZGQKBFIM-BBWFWOEESA-N 1 0 302.418 2.331 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262531748 145290807 /nfs/dbraw/zinc/29/08/07/145290807.db2.gz MCDFVTANGSQHMP-VDZJLULYSA-N 1 0 316.445 2.488 10 0 DEAERO CNC(=O)c1cc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)ccc1Cl ZINC000262554354 145292611 /nfs/dbraw/zinc/29/26/11/145292611.db2.gz TUUMNQCMUROVKB-ZDUSSCGKSA-N 1 0 323.824 2.416 10 0 DEAERO Cc1ccccc1CN(C)C(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000262577572 145295096 /nfs/dbraw/zinc/29/50/96/145295096.db2.gz YLIFCQRSRYAPDA-RHSMWYFYSA-N 1 0 303.450 2.013 10 0 DEAERO C[C@@H](C(=O)NCc1cccnc1N(C)C)[C@H]([NH3+])c1ccccc1 ZINC000262661903 145298565 /nfs/dbraw/zinc/29/85/65/145298565.db2.gz GLVZWNJSKLBFAM-CJNGLKHVSA-N 1 0 312.417 2.100 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262683470 145299862 /nfs/dbraw/zinc/29/98/62/145299862.db2.gz WYQDBZZQAGVQJO-YVEFUNNKSA-N 1 0 314.433 2.093 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[NH2+][C@H](C)[C@@H]3C)nc21 ZINC000262772907 145304110 /nfs/dbraw/zinc/30/41/10/145304110.db2.gz LNIIDQFUSGBRBZ-OLZOCXBDSA-N 1 0 300.406 2.013 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(Cc2c(F)cccc2Cl)n1 ZINC000263173502 145332000 /nfs/dbraw/zinc/33/20/00/145332000.db2.gz FZUNTKSXRZPKFU-LBPRGKRZSA-N 1 0 310.760 2.029 10 0 DEAERO CC[C@H](C)Oc1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263185051 145333797 /nfs/dbraw/zinc/33/37/97/145333797.db2.gz HGDQXUBQUOYBPJ-WFASDCNBSA-N 1 0 316.405 2.490 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(C(C)(C)c2ccc(F)cc2)n1 ZINC000263201442 145335352 /nfs/dbraw/zinc/33/53/52/145335352.db2.gz JDOFRNFIYBAFRM-ZDUSSCGKSA-N 1 0 304.369 2.111 10 0 DEAERO Cc1noc(C)c1CN1CC[NH+](CC2(O)CCC(C)CC2)CC1 ZINC000304265879 145340035 /nfs/dbraw/zinc/34/00/35/145340035.db2.gz CZSICWJZXLAULT-UHFFFAOYSA-N 1 0 321.465 2.350 10 0 DEAERO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cn[nH]c1 ZINC000309935749 145351217 /nfs/dbraw/zinc/35/12/17/145351217.db2.gz YEHIZVVSKRDTMU-HYVNUMGLSA-N 1 0 310.401 2.050 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000336718205 145397272 /nfs/dbraw/zinc/39/72/72/145397272.db2.gz REQWVULMEJXGBX-SFHVURJKSA-N 1 0 304.434 2.272 10 0 DEAERO O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261642307 304339337 /nfs/dbraw/zinc/33/93/37/304339337.db2.gz FAARHFDCJOIWIG-BRSBDYLESA-N 1 0 314.429 2.222 10 0 DEAERO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000348310664 146253789 /nfs/dbraw/zinc/25/37/89/146253789.db2.gz OGSRMLMFMPTRHU-KBXCAEBGSA-N 1 0 316.445 2.471 10 0 DEAERO c1nc(-c2ccccn2)sc1CN1CC[NH+]2CCC1CC2 ZINC000349320918 146368386 /nfs/dbraw/zinc/36/83/86/146368386.db2.gz WJKMJRXWKQZGJZ-UHFFFAOYSA-N 1 0 300.431 2.485 10 0 DEAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000358313511 147111624 /nfs/dbraw/zinc/11/16/24/147111624.db2.gz VDGRFILOHVPTGA-HUUCEWRRSA-N 1 0 319.449 2.042 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000358488647 147142924 /nfs/dbraw/zinc/14/29/24/147142924.db2.gz WVYLBKBRYZSBMB-INIZCTEOSA-N 1 0 319.449 2.357 10 0 DEAERO COCCC1(C)CN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000358526208 147150136 /nfs/dbraw/zinc/15/01/36/147150136.db2.gz BDPVRWOJRJJOTP-GJZGRUSLSA-N 1 0 311.470 2.175 10 0 DEAERO C[C@@H]1CCCC[C@@H]1CCNC(=O)NCCNc1cc[nH+]cc1 ZINC000358626531 147168805 /nfs/dbraw/zinc/16/88/05/147168805.db2.gz IILGQIDEYYGOQA-HUUCEWRRSA-N 1 0 304.438 2.431 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC000358630133 147169507 /nfs/dbraw/zinc/16/95/07/147169507.db2.gz AWSARIOPRXWEED-OAHLLOKOSA-N 1 0 317.437 2.298 10 0 DEAERO CC(=O)Nc1cccc(-n2cnnc2SC[C@H](C)[NH+](C)C)c1 ZINC000358857131 147219987 /nfs/dbraw/zinc/21/99/87/147219987.db2.gz YJWKHCOPDIJNIJ-NSHDSACASA-N 1 0 319.434 2.268 10 0 DEAERO CCC[N@H+](C)CC(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000359249126 147291898 /nfs/dbraw/zinc/29/18/98/147291898.db2.gz IIKVIMIPNQKUJD-UHFFFAOYSA-N 1 0 308.422 2.094 10 0 DEAERO C[C@@H](NC(=O)c1cc(-c2cccnc2)on1)C(C)(C)C[NH+](C)C ZINC000359281994 147298892 /nfs/dbraw/zinc/29/88/92/147298892.db2.gz SCUNXDYYQDBHSX-GFCCVEGCSA-N 1 0 316.405 2.443 10 0 DEAERO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CCC(F)(F)CC1 ZINC000360738122 147375837 /nfs/dbraw/zinc/37/58/37/147375837.db2.gz ZAMBNTSGPIIJMI-CQSZACIVSA-N 1 0 316.392 2.181 10 0 DEAERO c1cn(-c2ccccc2)nc1CN1CCO[C@]2(CCCOC2)C1 ZINC000375624885 148393377 /nfs/dbraw/zinc/39/33/77/148393377.db2.gz RBDPQWGECOJFJA-GOSISDBHSA-N 1 0 313.401 2.254 10 0 DEAERO CCOCCN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248123643 286078497 /nfs/dbraw/zinc/07/84/97/286078497.db2.gz UXMFISPHGFOXOS-IRXDYDNUSA-N 1 0 319.449 2.500 10 0 DEAERO CC1CC[NH+](CC(=O)N2CCO[C@@H](c3cccs3)C2)CC1 ZINC000127215398 401724724 /nfs/dbraw/zinc/72/47/24/401724724.db2.gz MPBOZJAGQVAIJN-CQSZACIVSA-N 1 0 308.447 2.380 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000111833646 401725475 /nfs/dbraw/zinc/72/54/75/401725475.db2.gz IUQFQRSTAMKYOK-OAHLLOKOSA-N 1 0 319.449 2.060 10 0 DEAERO C[C@H]1CCCN(c2cc(N3CC[N@@H+]4CCCC[C@@H]4C3)ncn2)C1 ZINC000112077130 401730087 /nfs/dbraw/zinc/73/00/87/401730087.db2.gz YUEHQACCCJODGN-JKSUJKDBSA-N 1 0 315.465 2.387 10 0 DEAERO Fc1cc(C[NH2+]C[C@@H]2COCCO2)ccc1Br ZINC000127406390 401733422 /nfs/dbraw/zinc/73/34/22/401733422.db2.gz AEPQMPJVJHPCBA-SNVBAGLBSA-N 1 0 304.159 2.093 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)CCC(=O)N3)CC[N@@H+]1C ZINC000127462086 401735717 /nfs/dbraw/zinc/73/57/17/401735717.db2.gz JUXAOEFXOFQNDV-SWLSCSKDSA-N 1 0 315.417 2.126 10 0 DEAERO Cc1ccc([C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CCO2)o1 ZINC000127521107 401738344 /nfs/dbraw/zinc/73/83/44/401738344.db2.gz UCSRMKKWNBGZRC-INIZCTEOSA-N 1 0 306.406 2.220 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000074497769 401740613 /nfs/dbraw/zinc/74/06/13/401740613.db2.gz AXWQXGQJYFMSJS-DLBZAZTESA-N 1 0 316.449 2.367 10 0 DEAERO CC[C@@H]1CCCCCN1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000074657115 401743137 /nfs/dbraw/zinc/74/31/37/401743137.db2.gz IPKZKQVGLKNXKM-IAGOWNOFSA-N 1 0 324.513 2.234 10 0 DEAERO CCc1cnc(CCNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000074841674 401744740 /nfs/dbraw/zinc/74/47/40/401744740.db2.gz RNLXPARNWPBVMG-CYBMUJFWSA-N 1 0 324.494 2.231 10 0 DEAERO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000111219753 401701061 /nfs/dbraw/zinc/70/10/61/401701061.db2.gz JOXIPLYCUOAEOA-RYUDHWBXSA-N 1 0 323.824 2.173 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@H](c2ccco2)C1 ZINC000126731305 401706205 /nfs/dbraw/zinc/70/62/05/401706205.db2.gz KWOCMUOAFTUUGF-HOCLYGCPSA-N 1 0 323.437 2.339 10 0 DEAERO COc1ccc(S(=O)(=O)[C@H](C[NH3+])c2ccccc2F)cc1 ZINC000008031242 401747834 /nfs/dbraw/zinc/74/78/34/401747834.db2.gz ATFJXVUABSCKDW-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000072897228 401714017 /nfs/dbraw/zinc/71/40/17/401714017.db2.gz MMDRLBYEYRRRIQ-ZIAGYGMSSA-N 1 0 317.433 2.447 10 0 DEAERO CCC(CC)[C@@H](O)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000111655256 401719759 /nfs/dbraw/zinc/71/97/59/401719759.db2.gz CENPJOCUQMIVNG-SJORKVTESA-N 1 0 306.450 2.073 10 0 DEAERO CN(C[C@H]1CCCO1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000076997179 401802231 /nfs/dbraw/zinc/80/22/31/401802231.db2.gz MXDHLVXLTDUXIW-HZPDHXFCSA-N 1 0 323.412 2.249 10 0 DEAERO C[N@@H+]1Cc2ccc(N[C@H]3CCN(CC(F)(F)F)C3=O)cc2C1 ZINC000114749908 401808832 /nfs/dbraw/zinc/80/88/32/401808832.db2.gz MQQCWKOOEAWXRQ-ZDUSSCGKSA-N 1 0 313.323 2.207 10 0 DEAERO CC1(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)COC1 ZINC000112715303 401755744 /nfs/dbraw/zinc/75/57/44/401755744.db2.gz RUHPSSRPVOUSPR-UHFFFAOYSA-N 1 0 317.433 2.118 10 0 DEAERO CCCn1c2ccccc2nc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000128059399 401761341 /nfs/dbraw/zinc/76/13/41/401761341.db2.gz UDBMQUYLECWFSO-OAHLLOKOSA-N 1 0 316.449 2.209 10 0 DEAERO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)C[C@@H]1CCCO1 ZINC000128234492 401768077 /nfs/dbraw/zinc/76/80/77/401768077.db2.gz NUXDHRYCHPEIOG-YOEHRIQHSA-N 1 0 302.418 2.071 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cccn2)cc1 ZINC000113223346 401770784 /nfs/dbraw/zinc/77/07/84/401770784.db2.gz UXUUWTXLKPGNII-WMLDXEAASA-N 1 0 310.401 2.181 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccccc1Cl ZINC000113223672 401770913 /nfs/dbraw/zinc/77/09/13/401770913.db2.gz NQJVNJJIMUDVOI-CHWSQXEVSA-N 1 0 308.809 2.414 10 0 DEAERO CCc1cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)oc1CC ZINC000128340229 401772311 /nfs/dbraw/zinc/77/23/11/401772311.db2.gz OTOOFYWLQINHQI-CQSZACIVSA-N 1 0 321.465 2.018 10 0 DEAERO CCc1cc(C)c(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000128332552 401772591 /nfs/dbraw/zinc/77/25/91/401772591.db2.gz SPOZRXSBRULZJS-MRXNPFEDSA-N 1 0 321.465 2.152 10 0 DEAERO CCC[C@@H](C)CS(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000113280022 401775075 /nfs/dbraw/zinc/77/50/75/401775075.db2.gz NSFTWVDBAFWDPZ-CQSZACIVSA-N 1 0 302.484 2.313 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(CCOc2cc(C)ccc2C)CC1 ZINC000075957440 401775370 /nfs/dbraw/zinc/77/53/70/401775370.db2.gz OOPCJKSILRVGGC-QGZVFWFLSA-N 1 0 306.450 2.071 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128432029 401776456 /nfs/dbraw/zinc/77/64/56/401776456.db2.gz SLDXRWFXEAFVDS-JFIYKMOQSA-N 1 0 308.466 2.405 10 0 DEAERO COc1ccccc1CCNC(=O)C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000076149382 401784847 /nfs/dbraw/zinc/78/48/47/401784847.db2.gz NLPSCRKAWCDBGZ-LSDHHAIUSA-N 1 0 304.434 2.474 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000114157323 401793224 /nfs/dbraw/zinc/79/32/24/401793224.db2.gz WNGVGPGIORPYOM-UHFFFAOYSA-N 1 0 301.434 2.455 10 0 DEAERO COc1ccc([C@H]2C[C@H](C)[N@H+](CC(=O)N(C)C3CC3)C2)cc1 ZINC000076389124 401793397 /nfs/dbraw/zinc/79/33/97/401793397.db2.gz IYOGAYVDXBVBHC-ZFWWWQNUSA-N 1 0 302.418 2.494 10 0 DEAERO CC(C)(C(=O)NC[C@H]1CN(C2CC2)CCO1)c1ccccc1F ZINC000115151008 401820009 /nfs/dbraw/zinc/82/00/09/401820009.db2.gz JSLOYEXLZOAZHC-AWEZNQCLSA-N 1 0 320.408 2.083 10 0 DEAERO CC1CCC(O)(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CC1 ZINC000130413868 401831031 /nfs/dbraw/zinc/83/10/31/401831031.db2.gz BHXRPSXBPRWTPD-SWKXRBFHSA-N 1 0 318.465 2.345 10 0 DEAERO COCC[C@@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115816176 401837586 /nfs/dbraw/zinc/83/75/86/401837586.db2.gz PILZDCDQJXHGES-GFCCVEGCSA-N 1 0 311.401 2.112 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000026160571 401839027 /nfs/dbraw/zinc/83/90/27/401839027.db2.gz HZBZEYXAHTVQKW-MRXNPFEDSA-N 1 0 316.449 2.003 10 0 DEAERO O=C(Cc1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932837 401848892 /nfs/dbraw/zinc/84/88/92/401848892.db2.gz NQFRFUDIHZJSCF-CQSZACIVSA-N 1 0 323.234 2.298 10 0 DEAERO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116318791 401849115 /nfs/dbraw/zinc/84/91/15/401849115.db2.gz KVZMCUAXTGXWOZ-QXSJWSMHSA-N 1 0 318.465 2.102 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](CC(=O)N3CCCc4ccccc43)C2)cn1 ZINC000116323763 401850205 /nfs/dbraw/zinc/85/02/05/401850205.db2.gz BZXKAURMXRGIDP-MRXNPFEDSA-N 1 0 324.428 2.189 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc2c(c1)OCCO2 ZINC000078614379 401858639 /nfs/dbraw/zinc/85/86/39/401858639.db2.gz OWPVMDNWROCACN-CQSZACIVSA-N 1 0 306.406 2.164 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)c1cc(C)c(F)cc1Cl ZINC000132336165 401865502 /nfs/dbraw/zinc/86/55/02/401865502.db2.gz MWVIROYJEFXLPQ-UHFFFAOYSA-N 1 0 316.804 2.486 10 0 DEAERO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCN1C(=O)CNC1=O ZINC000077409916 401814407 /nfs/dbraw/zinc/81/44/07/401814407.db2.gz MQVNCRUUGZFMGP-LLVKDONJSA-N 1 0 309.797 2.275 10 0 DEAERO COC(=O)c1ccc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1 ZINC000039952508 401924380 /nfs/dbraw/zinc/92/43/80/401924380.db2.gz JWZSREPHUVKGND-KRWDZBQOSA-N 1 0 310.397 2.494 10 0 DEAERO CN(C(=O)CCN1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000135196412 401929772 /nfs/dbraw/zinc/92/97/72/401929772.db2.gz PGBZFQSEFAUHHS-QGZVFWFLSA-N 1 0 301.434 2.210 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000119162562 401929806 /nfs/dbraw/zinc/92/98/06/401929806.db2.gz PMCOJRHKQQBREN-SECBINFHSA-N 1 0 302.205 2.352 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)CCc1ncc(C)s1 ZINC000119193934 401932344 /nfs/dbraw/zinc/93/23/44/401932344.db2.gz XMHSHSAHAFHRJE-LBPRGKRZSA-N 1 0 312.483 2.366 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)NC3CCCCC3)CC2)CCO1 ZINC000079555933 401876203 /nfs/dbraw/zinc/87/62/03/401876203.db2.gz ULRTUALOQGTLCZ-CQSZACIVSA-N 1 0 309.454 2.214 10 0 DEAERO CCOC(=O)CCCC[NH+]1CCC(c2nncn2CC)CC1 ZINC000132989369 401877358 /nfs/dbraw/zinc/87/73/58/401877358.db2.gz IIBYDWLOWSIMDU-UHFFFAOYSA-N 1 0 308.426 2.211 10 0 DEAERO C[C@H]1c2ccccc2O[C@H]1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000117756270 401883285 /nfs/dbraw/zinc/88/32/85/401883285.db2.gz IPJVTKWLKBRVMW-WMLDXEAASA-N 1 0 302.418 2.399 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000081106431 401894397 /nfs/dbraw/zinc/89/43/97/401894397.db2.gz HXTAKNXZLQUQJL-UHFFFAOYSA-N 1 0 318.421 2.227 10 0 DEAERO O=C(CN1CCc2cccc(Br)c2C1)NC1CC1 ZINC000118411206 401897351 /nfs/dbraw/zinc/89/73/51/401897351.db2.gz HMCYOBWAXGGZRV-UHFFFAOYSA-N 1 0 309.207 2.086 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)[C@H]1CCCO1 ZINC000035295714 401898443 /nfs/dbraw/zinc/89/84/43/401898443.db2.gz XKGWQNFWQXOGFJ-ZLKJLUDKSA-N 1 0 313.394 2.201 10 0 DEAERO COCC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COCC(C)C ZINC000036094963 401902177 /nfs/dbraw/zinc/90/21/77/401902177.db2.gz DMEJAOCBCZGTKF-GOSISDBHSA-N 1 0 309.450 2.477 10 0 DEAERO COCC[N@@H+](Cc1ccc(C)s1)C[C@H](O)COC(C)C ZINC000036101013 401902843 /nfs/dbraw/zinc/90/28/43/401902843.db2.gz AFWGTUUHTBSFIJ-AWEZNQCLSA-N 1 0 301.452 2.291 10 0 DEAERO C[NH+](C)CCOc1cc(CNC(=O)Nc2ccccc2)ccn1 ZINC000134507000 401904992 /nfs/dbraw/zinc/90/49/92/401904992.db2.gz NBBTWBYAWWZSOG-UHFFFAOYSA-N 1 0 314.389 2.344 10 0 DEAERO C[NH+](C)CCOc1cc(CNC(=O)NC2CCCCC2)ccn1 ZINC000134507274 401905076 /nfs/dbraw/zinc/90/50/76/401905076.db2.gz HKWQIJCFTRKNIZ-UHFFFAOYSA-N 1 0 320.437 2.154 10 0 DEAERO CCNC(=O)C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000036780412 401908071 /nfs/dbraw/zinc/90/80/71/401908071.db2.gz KUAAIIGKEDKGKG-LLVKDONJSA-N 1 0 300.349 2.335 10 0 DEAERO CCC1(CO)CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000134668845 401910717 /nfs/dbraw/zinc/91/07/17/401910717.db2.gz YZUODBGNMRJVNC-KRWDZBQOSA-N 1 0 318.461 2.170 10 0 DEAERO [NH3+]C1CCN(c2cccc(I)c2)CC1 ZINC000037483569 401913909 /nfs/dbraw/zinc/91/39/09/401913909.db2.gz VKMPXDPCBOCIFG-UHFFFAOYSA-N 1 0 302.159 2.219 10 0 DEAERO CC(C)[NH2+]C1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000118981692 401917365 /nfs/dbraw/zinc/91/73/65/401917365.db2.gz WTBLDRYKKWFOOD-SFHVURJKSA-N 1 0 306.450 2.027 10 0 DEAERO COC(=O)[C@@H](O)C1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000135352521 401936896 /nfs/dbraw/zinc/93/68/96/401936896.db2.gz RTZQKDMHUVXJMB-WBMJQRKESA-N 1 0 307.390 2.002 10 0 DEAERO Cc1ccc(CC[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000135685773 401950744 /nfs/dbraw/zinc/95/07/44/401950744.db2.gz KNTPNVHBRUSSID-KRWDZBQOSA-N 1 0 322.474 2.037 10 0 DEAERO C[C@H](CC(N)=O)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000135720480 401951757 /nfs/dbraw/zinc/95/17/57/401951757.db2.gz NRCUUTALIDQMPU-KCJUWKMLSA-N 1 0 313.195 2.126 10 0 DEAERO COCCOc1cccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000119487126 401953677 /nfs/dbraw/zinc/95/36/77/401953677.db2.gz NAPPZOMHZQSDBC-MRXNPFEDSA-N 1 0 316.405 2.140 10 0 DEAERO COCCC1(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCC1 ZINC000119510432 401955584 /nfs/dbraw/zinc/95/55/84/401955584.db2.gz WJEFOWMEYDHZOE-HNNXBMFYSA-N 1 0 309.454 2.073 10 0 DEAERO C[C@H]1CN(C(=O)c2cccc(Br)c2)C[C@@H]1[NH+](C)C ZINC000089710235 401958520 /nfs/dbraw/zinc/95/85/20/401958520.db2.gz NLRMQUCOWWOYDK-GWCFXTLKSA-N 1 0 311.223 2.471 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(OCC(F)F)n1 ZINC000089736700 401959167 /nfs/dbraw/zinc/95/91/67/401959167.db2.gz QFMNQTKGCQLTHU-NSHDSACASA-N 1 0 315.364 2.186 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(OCC(F)F)n1 ZINC000089736701 401959470 /nfs/dbraw/zinc/95/94/70/401959470.db2.gz QFMNQTKGCQLTHU-LLVKDONJSA-N 1 0 315.364 2.186 10 0 DEAERO CC(C)[C@@H](CNC(=O)CCc1ccnn1C)[NH+]1CCC(C)CC1 ZINC000119770678 401966476 /nfs/dbraw/zinc/96/64/76/401966476.db2.gz YOFUIEFNEDWNOV-QGZVFWFLSA-N 1 0 320.481 2.225 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([S@](C)=O)cc1 ZINC000046860990 401974129 /nfs/dbraw/zinc/97/41/29/401974129.db2.gz JURXFXWJZWNMCR-LRTDBIEQSA-N 1 0 308.447 2.028 10 0 DEAERO CCCn1cc(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000120078782 401977621 /nfs/dbraw/zinc/97/76/21/401977621.db2.gz VYUBBKUTYFNHMX-JZXOWHBKSA-N 1 0 320.481 2.367 10 0 DEAERO COc1cc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)ccn1 ZINC000137633659 401985063 /nfs/dbraw/zinc/98/50/63/401985063.db2.gz NMBMXWJWGJVERW-UHFFFAOYSA-N 1 0 320.437 2.010 10 0 DEAERO COc1cc(C[NH2+]C2(CO)CC2)ccc1OCc1ccncc1 ZINC000120391193 401988636 /nfs/dbraw/zinc/98/86/36/401988636.db2.gz PXRXTQHJFBTOJR-UHFFFAOYSA-N 1 0 314.385 2.284 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)NCCCOCC1CC1)c1ccccc1 ZINC000048198259 401995488 /nfs/dbraw/zinc/99/54/88/401995488.db2.gz IIBGICMYRIQEOJ-KRWDZBQOSA-N 1 0 319.449 2.405 10 0 DEAERO O=C(NCCc1ccc(Cl)nc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000119317921 401940926 /nfs/dbraw/zinc/94/09/26/401940926.db2.gz AZYNTKWJHNRTHL-CQSZACIVSA-N 1 0 322.840 2.157 10 0 DEAERO Cc1ccc(CC(=O)N2CCC([NH+]3CCCC3)CC2)cc1O ZINC000089440065 401946860 /nfs/dbraw/zinc/94/68/60/401946860.db2.gz FUCBSCAVYSCBDC-UHFFFAOYSA-N 1 0 302.418 2.330 10 0 DEAERO CCC[C@@H](C(=O)NC[C@H](C)N1CCc2ccccc21)[NH+](C)C ZINC000135650046 401949354 /nfs/dbraw/zinc/94/93/54/401949354.db2.gz UIUVYLJMDUHCMU-YOEHRIQHSA-N 1 0 303.450 2.284 10 0 DEAERO C[C@H]([NH2+]CCc1ccsc1)c1cccc(S(N)(=O)=O)c1 ZINC000049153414 402013052 /nfs/dbraw/zinc/01/30/52/402013052.db2.gz GPQMXAAIMQQOGP-NSHDSACASA-N 1 0 310.444 2.289 10 0 DEAERO CCc1nn(C)c(CC)c1CNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000121199700 402019895 /nfs/dbraw/zinc/01/98/95/402019895.db2.gz IOGXVQFEBPYAPC-CYBMUJFWSA-N 1 0 323.485 2.074 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000121199988 402020001 /nfs/dbraw/zinc/02/00/01/402020001.db2.gz RUHMRZNXZPKUGD-BBRMVZONSA-N 1 0 323.437 2.401 10 0 DEAERO C[NH2+][C@@H](CCO)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095075714 402023956 /nfs/dbraw/zinc/02/39/56/402023956.db2.gz IVVPMBQCWQKGFE-HOTGVXAUSA-N 1 0 306.406 2.006 10 0 DEAERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2nncs2)C1 ZINC000053750146 402059394 /nfs/dbraw/zinc/05/93/94/402059394.db2.gz TXRSUVKRPKHUJT-QWRGUYRKSA-N 1 0 311.455 2.416 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc(N2CCCC2=O)c1 ZINC000151225084 402024523 /nfs/dbraw/zinc/02/45/23/402024523.db2.gz ADVKTNCBWOMUPT-GXFFZTMASA-N 1 0 316.323 2.387 10 0 DEAERO Cc1ccc([C@@H]2CN(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CCO2)o1 ZINC000121313224 402027687 /nfs/dbraw/zinc/02/76/87/402027687.db2.gz ZTXNNRIVCYWSRI-WBMJQRKESA-N 1 0 321.421 2.154 10 0 DEAERO O[C@@H](CN[C@H]1CCCOc2ccccc21)C[NH+]1CCCCC1 ZINC000151309632 402029326 /nfs/dbraw/zinc/02/93/26/402029326.db2.gz FEVQCHXORMGSMN-RDJZCZTQSA-N 1 0 304.434 2.337 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3cc(OC)ccc3n2)C1 ZINC000121466933 402037852 /nfs/dbraw/zinc/03/78/52/402037852.db2.gz OECORIYFLVIPGG-CYBMUJFWSA-N 1 0 313.401 2.315 10 0 DEAERO CCC[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC000121474188 402038751 /nfs/dbraw/zinc/03/87/51/402038751.db2.gz DJEITLUGANFUSM-HZPDHXFCSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H]1CC(CC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C[C@H](C)C1 ZINC000151551195 402042565 /nfs/dbraw/zinc/04/25/65/402042565.db2.gz CFDFVZWUYLKQIA-NFAWXSAZSA-N 1 0 302.484 2.072 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCN(C)c2ccccc2)C1 ZINC000052500091 402043174 /nfs/dbraw/zinc/04/31/74/402043174.db2.gz RKFQHIWOHNOFRM-MRXNPFEDSA-N 1 0 318.465 2.296 10 0 DEAERO O=S(=O)(/C=C/c1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151634664 402047628 /nfs/dbraw/zinc/04/76/28/402047628.db2.gz UXRSYFSCRLDSNZ-VEMDQMBVSA-N 1 0 320.458 2.405 10 0 DEAERO Cn1cc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000092849872 402009955 /nfs/dbraw/zinc/00/99/55/402009955.db2.gz SAJGBXOUHZCBJD-GDBMZVCRSA-N 1 0 318.808 2.135 10 0 DEAERO CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000055308285 402079662 /nfs/dbraw/zinc/07/96/62/402079662.db2.gz FPEIGUVDZONKNA-MRXNPFEDSA-N 1 0 317.433 2.334 10 0 DEAERO CCOc1cc(C)ccc1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000123306423 402120751 /nfs/dbraw/zinc/12/07/51/402120751.db2.gz DEVJOSDOGWDKNM-HNNXBMFYSA-N 1 0 305.422 2.287 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2OCCc3ccccc32)CC[N@@H+]1C ZINC000122641890 402088934 /nfs/dbraw/zinc/08/89/34/402088934.db2.gz GFNAUWFFWIGXFB-UNEWFSDZSA-N 1 0 302.418 2.242 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1ccoc1 ZINC000057202332 402093401 /nfs/dbraw/zinc/09/34/01/402093401.db2.gz XSKLCVZADZOGBI-INIZCTEOSA-N 1 0 301.390 2.252 10 0 DEAERO COCCOc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 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O=C(NCCC1CCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069922050 402251314 /nfs/dbraw/zinc/25/13/14/402251314.db2.gz MKRMEWPBVKYAMC-QGZVFWFLSA-N 1 0 323.481 2.321 10 0 DEAERO CCCO[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000108562002 402257532 /nfs/dbraw/zinc/25/75/32/402257532.db2.gz YISSUMHUPKKDFZ-CVEARBPZSA-N 1 0 311.470 2.461 10 0 DEAERO COc1ccccc1CCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108590343 402258130 /nfs/dbraw/zinc/25/81/30/402258130.db2.gz TXUPLKIMRMPCIJ-HNNXBMFYSA-N 1 0 319.449 2.221 10 0 DEAERO [NH3+][C@H]1CCN(c2cc(-c3ccccn3)nc(-c3ccncc3)n2)C1 ZINC000070455871 402260370 /nfs/dbraw/zinc/26/03/70/402260370.db2.gz GPFSAPXENQWGBS-AWEZNQCLSA-N 1 0 318.384 2.138 10 0 DEAERO [NH3+][C@H]1CCN(c2cc(-c3cccnc3)nc(-c3cccnc3)n2)C1 ZINC000070455885 402260628 /nfs/dbraw/zinc/26/06/28/402260628.db2.gz IVHBPJQMQDMMGA-HNNXBMFYSA-N 1 0 318.384 2.138 10 0 DEAERO CCCc1cc(N2CCC(C[NH3+])CC2)nc(-c2cnccn2)n1 ZINC000070456145 402260729 /nfs/dbraw/zinc/26/07/29/402260729.db2.gz 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C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cc(F)ccc1F ZINC000176459972 402311699 /nfs/dbraw/zinc/31/16/99/402311699.db2.gz SPPVOHVBRBDERE-SWLSCSKDSA-N 1 0 323.387 2.385 10 0 DEAERO CC(C)[C@@](C)(O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000184956293 402312367 /nfs/dbraw/zinc/31/23/67/402312367.db2.gz OROFZSKWFNIEAJ-SFHVURJKSA-N 1 0 322.424 2.381 10 0 DEAERO CCOC(C[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1)OCC ZINC000184968175 402313734 /nfs/dbraw/zinc/31/37/34/402313734.db2.gz XSAIAJVSEBUHOY-OAHLLOKOSA-N 1 0 310.442 2.006 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSCc2ccccn2)C1 ZINC000159018942 402316002 /nfs/dbraw/zinc/31/60/02/402316002.db2.gz DSPIJWSIHNYILP-HIFRSBDPSA-N 1 0 307.463 2.160 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1 ZINC000185036354 402318791 /nfs/dbraw/zinc/31/87/91/402318791.db2.gz HOYWZYIOBVSIEI-CXAGYDPISA-N 1 0 317.437 2.237 10 0 DEAERO COC(=O)c1ccccc1OCC[N@H+](C)[C@H](CO)CC(C)C ZINC000185351323 402345789 /nfs/dbraw/zinc/34/57/89/402345789.db2.gz YDRYJFHCHAOHTQ-AWEZNQCLSA-N 1 0 309.406 2.191 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)ccc1F ZINC000176895303 402347386 /nfs/dbraw/zinc/34/73/86/402347386.db2.gz KZCYXUPPJIYIEQ-CYBMUJFWSA-N 1 0 321.396 2.015 10 0 DEAERO CCc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000176895126 402347647 /nfs/dbraw/zinc/34/76/47/402347647.db2.gz VDUTYJBSWUMDGB-INIZCTEOSA-N 1 0 317.433 2.130 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(NC(=O)OC)cc1 ZINC000176965063 402354622 /nfs/dbraw/zinc/35/46/22/402354622.db2.gz BYKGBVYXFFAPJW-OAHLLOKOSA-N 1 0 319.405 2.421 10 0 DEAERO CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000185495629 402357031 /nfs/dbraw/zinc/35/70/31/402357031.db2.gz JTVBVRPNBWHAGG-CVEARBPZSA-N 1 0 319.453 2.102 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2c(s1)CCOC2 ZINC000176992372 402357679 /nfs/dbraw/zinc/35/76/79/402357679.db2.gz VINIAASVDMIWKK-CYBMUJFWSA-N 1 0 308.447 2.377 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CSCc1ccncc1 ZINC000177021703 402360122 /nfs/dbraw/zinc/36/01/22/402360122.db2.gz KNMLQFUSKOJUPP-OAHLLOKOSA-N 1 0 307.463 2.258 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000177041099 402362791 /nfs/dbraw/zinc/36/27/91/402362791.db2.gz MEAUJTNPAPLJAQ-CQSZACIVSA-N 1 0 321.396 2.340 10 0 DEAERO COc1ccc(F)cc1CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000185911302 402388590 /nfs/dbraw/zinc/38/85/90/402388590.db2.gz OJDNCUUSGQGHHX-OAHLLOKOSA-N 1 0 306.381 2.074 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc3c(c2O)CCCC3)C1 ZINC000185777790 402376542 /nfs/dbraw/zinc/37/65/42/402376542.db2.gz WFXMISKWMFZXAE-AWEZNQCLSA-N 1 0 302.418 2.437 10 0 DEAERO C[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1N1CCOCC1 ZINC000177255821 402386172 /nfs/dbraw/zinc/38/61/72/402386172.db2.gz MZIAYAOBHFPVPT-QAPCUYQASA-N 1 0 311.429 2.387 10 0 DEAERO COC(=O)c1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)sc1C ZINC000228208701 402336684 /nfs/dbraw/zinc/33/66/84/402336684.db2.gz IXCKRQZORVIEHW-RYUDHWBXSA-N 1 0 309.435 2.159 10 0 DEAERO COC(=O)c1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185980752 402394519 /nfs/dbraw/zinc/39/45/19/402394519.db2.gz AGVKMANJJBSZFS-UHFFFAOYSA-N 1 0 305.378 2.031 10 0 DEAERO COC(=O)c1sccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000161775929 402398374 /nfs/dbraw/zinc/39/83/74/402398374.db2.gz XDHKDCZBOFPULG-LLVKDONJSA-N 1 0 323.418 2.237 10 0 DEAERO Cc1nn(C)c(C)c1CCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237438305 402408320 /nfs/dbraw/zinc/40/83/20/402408320.db2.gz LZRSJFLATHBHPQ-YVEFUNNKSA-N 1 0 314.433 2.032 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)nc1)[NH+](C)C ZINC000162072124 402408628 /nfs/dbraw/zinc/40/86/28/402408628.db2.gz FNRPARHZIHFERG-CYBMUJFWSA-N 1 0 304.394 2.099 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000237459023 402408786 /nfs/dbraw/zinc/40/87/86/402408786.db2.gz ZKOHVFJQZFRIMR-NILFDRSVSA-N 1 0 315.417 2.340 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c(C)cccc1F ZINC000186270534 402416689 /nfs/dbraw/zinc/41/66/89/402416689.db2.gz QMIAYTHBKOWRRL-GFCCVEGCSA-N 1 0 302.415 2.143 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)C12CCOCC2 ZINC000186282555 402417755 /nfs/dbraw/zinc/41/77/55/402417755.db2.gz WPQHGUKTRWSKAQ-YESZJQIVSA-N 1 0 323.408 2.423 10 0 DEAERO CC(=O)c1cc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)n(C)c1 ZINC000186295479 402418903 /nfs/dbraw/zinc/41/89/03/402418903.db2.gz WFYCUYSJANJYEX-CYBMUJFWSA-N 1 0 305.422 2.222 10 0 DEAERO CCC[C@@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[nH]1)[NH+](C)C ZINC000162499673 402422274 /nfs/dbraw/zinc/42/22/74/402422274.db2.gz QNPSUDQWQDEZFS-LBPRGKRZSA-N 1 0 318.377 2.018 10 0 DEAERO COC(=O)[C@@]1(C)CCCN1CC(=O)N(CC(C)C)CC(C)C ZINC000186363889 402424893 /nfs/dbraw/zinc/42/48/93/402424893.db2.gz MOOFEJLKHYENFM-QGZVFWFLSA-N 1 0 312.454 2.155 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCCS1)c1ccccc1 ZINC000162890089 402435080 /nfs/dbraw/zinc/43/50/80/402435080.db2.gz PAVHZTSGGICWRQ-CABCVRRESA-N 1 0 307.463 2.484 10 0 DEAERO COc1ccc(F)cc1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000186497952 402436538 /nfs/dbraw/zinc/43/65/38/402436538.db2.gz JJPWDPDXMFUOQA-IUODEOHRSA-N 1 0 308.397 2.318 10 0 DEAERO Cc1c(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cnn1C(C)(C)C ZINC000186500757 402436726 /nfs/dbraw/zinc/43/67/26/402436726.db2.gz JDNPKKXVNOZNTD-ZDUSSCGKSA-N 1 0 304.438 2.303 10 0 DEAERO O=C(/C=C/c1cnc2ccccc2n1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186515936 402438083 /nfs/dbraw/zinc/43/80/83/402438083.db2.gz DINHIZYOFZKUJR-JOZWUWCOSA-N 1 0 322.412 2.386 10 0 DEAERO C[C@@H](OCCC[NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000163360402 402448128 /nfs/dbraw/zinc/44/81/28/402448128.db2.gz PGMXXGLZVQWSIN-CQSZACIVSA-N 1 0 305.422 2.287 10 0 DEAERO CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C[NH3+] ZINC000237046754 402392855 /nfs/dbraw/zinc/39/28/55/402392855.db2.gz UHHAPFSLRPFNLS-UHFFFAOYSA-N 1 0 318.396 2.346 10 0 DEAERO C[NH2+]C1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1 ZINC000237070724 402393669 /nfs/dbraw/zinc/39/36/69/402393669.db2.gz KQXGLPQPRRSDGQ-UHFFFAOYSA-N 1 0 300.761 2.068 10 0 DEAERO Cc1ccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000178554945 402510912 /nfs/dbraw/zinc/51/09/12/402510912.db2.gz WZQHSHSCPOEQTD-UHFFFAOYSA-N 1 0 317.433 2.170 10 0 DEAERO CCOC(=O)C[C@](C)([NH2+]Cc1nnc(C2CC2)n1C)C(C)C ZINC000186668460 402453469 /nfs/dbraw/zinc/45/34/69/402453469.db2.gz VBIHHPVJGJDLNZ-INIZCTEOSA-N 1 0 308.426 2.150 10 0 DEAERO CCNC(=O)NC(=O)CN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000245409796 402457504 /nfs/dbraw/zinc/45/75/04/402457504.db2.gz OANBOVJZRMJPIY-NHYWBVRUSA-N 1 0 307.369 2.054 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CCS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000245415850 402458079 /nfs/dbraw/zinc/45/80/79/402458079.db2.gz DPZJVEGEGMAYNE-RDJZCZTQSA-N 1 0 324.490 2.122 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2cccs2)[C@@H](C)C1 ZINC000245427997 402459559 /nfs/dbraw/zinc/45/95/59/402459559.db2.gz MHDBTSVVIMYPMO-DZGCQCFKSA-N 1 0 309.479 2.026 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1nnc(C(C)C)o1 ZINC000245429365 402459920 /nfs/dbraw/zinc/45/99/20/402459920.db2.gz KILDHEYYUYSCJB-KGLIPLIRSA-N 1 0 320.437 2.211 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000245479498 402464712 /nfs/dbraw/zinc/46/47/12/402464712.db2.gz WMUZFIHZVCKYIX-IAGOWNOFSA-N 1 0 303.450 2.232 10 0 DEAERO Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@@H](CC(C)C)C3)C2=O)n(C)n1 ZINC000245484038 402465309 /nfs/dbraw/zinc/46/53/09/402465309.db2.gz GQCYNGBPMCCPCP-LSDHHAIUSA-N 1 0 304.438 2.202 10 0 DEAERO COC(=O)c1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)sc1C ZINC000164669653 402467187 /nfs/dbraw/zinc/46/71/87/402467187.db2.gz WJUXJOHNVDXKTH-GFCCVEGCSA-N 1 0 309.435 2.303 10 0 DEAERO CC(C)c1nc(C(=O)NCCCC[NH+]2CCOCC2)cs1 ZINC000170667965 402512519 /nfs/dbraw/zinc/51/25/19/402512519.db2.gz FOBLCVMADKKIQF-UHFFFAOYSA-N 1 0 311.451 2.109 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)C1CCS(=O)(=O)CC1 ZINC000186930662 402471770 /nfs/dbraw/zinc/47/17/70/402471770.db2.gz KXRMDGILJHLLOD-SWLSCSKDSA-N 1 0 309.431 2.313 10 0 DEAERO CCC[C@H]([NH3+])C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000165512820 402476502 /nfs/dbraw/zinc/47/65/02/402476502.db2.gz KENYVGGALUPUJU-HNNXBMFYSA-N 1 0 300.406 2.396 10 0 DEAERO Cc1ccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C)n1 ZINC000187005738 402477618 /nfs/dbraw/zinc/47/76/18/402477618.db2.gz JCBCYHAWTUXEGX-IBGZPJMESA-N 1 0 316.493 2.300 10 0 DEAERO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2c[nH]nc2C)C1 ZINC000245698336 402480958 /nfs/dbraw/zinc/48/09/58/402480958.db2.gz BHBNACHHOFJCDI-HZPDHXFCSA-N 1 0 313.401 2.497 10 0 DEAERO O=C1NCC[C@H]1[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000178305833 402482353 /nfs/dbraw/zinc/48/23/53/402482353.db2.gz KUYOZSLGYYRPAY-GOEBONIOSA-N 1 0 310.401 2.145 10 0 DEAERO CC[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCN1CC(F)F ZINC000245723284 402482406 /nfs/dbraw/zinc/48/24/06/402482406.db2.gz HXDZGIODXWYFRV-UONOGXRCSA-N 1 0 317.424 2.049 10 0 DEAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccccc1 ZINC000178306230 402482401 /nfs/dbraw/zinc/48/24/01/402482401.db2.gz XYJIPBSOIOZWOT-QGZVFWFLSA-N 1 0 312.417 2.319 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC1CCCC1 ZINC000178306533 402482819 /nfs/dbraw/zinc/48/28/19/402482819.db2.gz QXSBISPIFKXHFK-BBRMVZONSA-N 1 0 304.438 2.103 10 0 DEAERO COCCOc1ccccc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000245727490 402483131 /nfs/dbraw/zinc/48/31/31/402483131.db2.gz JCPHTUGHBCAYJZ-SJORKVTESA-N 1 0 304.434 2.380 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCc1ccccc1C(=O)OC ZINC000187109204 402483340 /nfs/dbraw/zinc/48/33/40/402483340.db2.gz PBHKNTVMXCOPHF-INIZCTEOSA-N 1 0 304.434 2.432 10 0 DEAERO O=C1[C@@H](N2CC[N@@H+]3CCC[C@H]3C2)CCCN1c1ccccc1F ZINC000245781521 402487673 /nfs/dbraw/zinc/48/76/73/402487673.db2.gz MGLINLPOLHRZSW-YOEHRIQHSA-N 1 0 317.408 2.101 10 0 DEAERO CCCOc1ccc(OCC[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000245831335 402490272 /nfs/dbraw/zinc/49/02/72/402490272.db2.gz AIFQEROHJMDDEI-HUUCEWRRSA-N 1 0 320.433 2.440 10 0 DEAERO C[C@@H]([NH2+]CCc1cc(F)ccc1F)C1CCS(=O)(=O)CC1 ZINC000187274193 402491149 /nfs/dbraw/zinc/49/11/49/402491149.db2.gz GZKIMFXBOVRWOD-LLVKDONJSA-N 1 0 317.401 2.310 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCc2ccc(F)cc2)C1 ZINC000245863827 402492106 /nfs/dbraw/zinc/49/21/06/402492106.db2.gz FUCIAJZFVFPAFK-RDJZCZTQSA-N 1 0 319.424 2.494 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)C1(C)C ZINC000245877074 402493377 /nfs/dbraw/zinc/49/33/77/402493377.db2.gz KGQIVZPRWKCPIR-BRWVUGGUSA-N 1 0 318.461 2.479 10 0 DEAERO COc1ccc(O)cc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000187328828 402494412 /nfs/dbraw/zinc/49/44/12/402494412.db2.gz UGSXQGISAHNJNJ-INIZCTEOSA-N 1 0 314.385 2.434 10 0 DEAERO CC1(C)[C@H]([NH2+]CCN2C(=O)Cc3ccccc32)[C@H]2CCCO[C@H]21 ZINC000245936791 402499143 /nfs/dbraw/zinc/49/91/43/402499143.db2.gz UCLHPQFEZCLMCS-ZTFGCOKTSA-N 1 0 314.429 2.369 10 0 DEAERO CNC(=O)[C@H]([NH2+]Cc1nc2ccc(OC)cc2s1)C(C)C ZINC000187429150 402500373 /nfs/dbraw/zinc/50/03/73/402500373.db2.gz AGEWVOMQOSYPKM-CQSZACIVSA-N 1 0 307.419 2.165 10 0 DEAERO C[C@H](C(=O)N[C@H]1Cc2ccccc2[C@H]1O)[NH+]1CCCCCC1 ZINC000246009466 402503207 /nfs/dbraw/zinc/50/32/07/402503207.db2.gz RGERTJXGYUXHEW-XOKHGSTOSA-N 1 0 302.418 2.025 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1C ZINC000246034830 402504673 /nfs/dbraw/zinc/50/46/73/402504673.db2.gz ARTBBOCNLZBALN-ZBFHGGJFSA-N 1 0 310.463 2.310 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C)n1 ZINC000246165674 402514250 /nfs/dbraw/zinc/51/42/50/402514250.db2.gz KZHWYGIVJPWHBJ-CVEARBPZSA-N 1 0 302.422 2.158 10 0 DEAERO Cc1ccccc1OCC[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246095372 402509228 /nfs/dbraw/zinc/50/92/28/402509228.db2.gz HPBUVYSSYQHUKU-IRXDYDNUSA-N 1 0 304.434 2.026 10 0 DEAERO C[C@H]1CN(Cc2csc(C3CCCC3)n2)CC[N@@H+]1CCO ZINC000187720468 402509386 /nfs/dbraw/zinc/50/93/86/402509386.db2.gz DVCLHYYRBWYLJA-ZDUSSCGKSA-N 1 0 309.479 2.299 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cn3c(cccc3C)n2)C[C@@H]1C ZINC000170939694 402544104 /nfs/dbraw/zinc/54/41/04/402544104.db2.gz MQGHIFMGGUNDAB-INIZCTEOSA-N 1 0 316.449 2.185 10 0 DEAERO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000246861662 402547519 /nfs/dbraw/zinc/54/75/19/402547519.db2.gz WAILWTFDPVZZSU-HUUCEWRRSA-N 1 0 315.454 2.218 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246971301 402551767 /nfs/dbraw/zinc/55/17/67/402551767.db2.gz JCVUYYBCDNCWEC-ZIAGYGMSSA-N 1 0 310.438 2.051 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000179134129 402575055 /nfs/dbraw/zinc/57/50/55/402575055.db2.gz HIINBRMJORQGGV-UHFFFAOYSA-N 1 0 315.186 2.412 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc3c(cc2Cl)OCO3)C1 ZINC000171073956 402554749 /nfs/dbraw/zinc/55/47/49/402554749.db2.gz QLMYZHSYYXVDFJ-SECBINFHSA-N 1 0 311.769 2.237 10 0 DEAERO COC(=O)Nc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000247066520 402555788 /nfs/dbraw/zinc/55/57/88/402555788.db2.gz ISKKCTURWQPAAS-SWLSCSKDSA-N 1 0 319.405 2.323 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccc(N3CCC(C)CC3)nc2)CC1 ZINC000179137202 402575249 /nfs/dbraw/zinc/57/52/49/402575249.db2.gz QCSQEDPHUREILV-UHFFFAOYSA-N 1 0 316.449 2.142 10 0 DEAERO CCOc1ccccc1OCC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000247708284 402575224 /nfs/dbraw/zinc/57/52/24/402575224.db2.gz ZMQKLQVRFSNWED-ZIAGYGMSSA-N 1 0 306.406 2.050 10 0 DEAERO CC(C)c1ccccc1OC[C@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000247182110 402559539 /nfs/dbraw/zinc/55/95/39/402559539.db2.gz LAJPAXHLENBZJJ-DLBZAZTESA-N 1 0 320.477 2.433 10 0 DEAERO C[NH+]1CCC(C(=O)N2CC3(CCOCC3)c3ccccc32)CC1 ZINC000189830376 402561117 /nfs/dbraw/zinc/56/11/17/402561117.db2.gz ITDLLVHSWRGZNF-UHFFFAOYSA-N 1 0 314.429 2.423 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N([C@H](C)C2CC2)C2CC2)[C@@H](C)C1 ZINC000247253695 402561718 /nfs/dbraw/zinc/56/17/18/402561718.db2.gz USZKFSSINCMBNZ-DAYGRLMNSA-N 1 0 321.509 2.438 10 0 DEAERO Cc1noc2nc(C)cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)c12 ZINC000247403014 402566247 /nfs/dbraw/zinc/56/62/47/402566247.db2.gz PNVQYXJGSBRLDI-DGCLKSJQSA-N 1 0 314.389 2.148 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCOC3(CCCCC3)C2)C1 ZINC000247466729 402567963 /nfs/dbraw/zinc/56/79/63/402567963.db2.gz UVUHOSAREOMBQS-HZPDHXFCSA-N 1 0 323.481 2.460 10 0 DEAERO COC(=O)[C@@H](C)C[N@H+](Cc1ncc(C)c(OC)c1C)C1CC1 ZINC000171235643 402570012 /nfs/dbraw/zinc/57/00/12/402570012.db2.gz ZPRKTYXJPJKCAK-LBPRGKRZSA-N 1 0 306.406 2.481 10 0 DEAERO CN1CCN(Cc2cc(C(N)=O)cs2)[C@@H](c2ccccc2)C1 ZINC000246168449 402515180 /nfs/dbraw/zinc/51/51/80/402515180.db2.gz DNYDLIZJEYCZSX-MRXNPFEDSA-N 1 0 315.442 2.336 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)Oc2ccccc2F)C1 ZINC000246177390 402515785 /nfs/dbraw/zinc/51/57/85/402515785.db2.gz LPYUAHGYJVIAEX-KBPBESRZSA-N 1 0 323.412 2.377 10 0 DEAERO COC[C@@H]([NH2+]CCOCc1ccc(OC)cc1)C1CCOCC1 ZINC000188166558 402516414 /nfs/dbraw/zinc/51/64/14/402516414.db2.gz SDNXKSAOADHHOE-GOSISDBHSA-N 1 0 323.433 2.243 10 0 DEAERO CC(C)N(Cc1ccccc1)C(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178622607 402518367 /nfs/dbraw/zinc/51/83/67/402518367.db2.gz FKQYKUITKZJKPE-GOSISDBHSA-N 1 0 315.461 2.204 10 0 DEAERO C[C@@H](CNC(=O)c1cn2ccnc2s1)[N@@H+]1CCC[C@H](C)C1 ZINC000188306834 402519523 /nfs/dbraw/zinc/51/95/23/402519523.db2.gz RKASKDVCXIHCQQ-RYUDHWBXSA-N 1 0 306.435 2.246 10 0 DEAERO Cc1ccc(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000178635523 402520316 /nfs/dbraw/zinc/52/03/16/402520316.db2.gz IPKKNDGNPQHZKE-CYBMUJFWSA-N 1 0 307.825 2.367 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)c1 ZINC000246256054 402520900 /nfs/dbraw/zinc/52/09/00/402520900.db2.gz SYVQDDPBAFEEJN-STQMWFEESA-N 1 0 314.426 2.237 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC000188619019 402521724 /nfs/dbraw/zinc/52/17/24/402521724.db2.gz WTLFEOLSCXUVCQ-KGLIPLIRSA-N 1 0 313.486 2.020 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1COc2ccccc21 ZINC000246273787 402522091 /nfs/dbraw/zinc/52/20/91/402522091.db2.gz JCOPEMLUQQSADJ-BPLDGKMQSA-N 1 0 303.406 2.102 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(O)c(F)c2)[C@@H](C)C1 ZINC000246305062 402524371 /nfs/dbraw/zinc/52/43/71/402524371.db2.gz ATIOBQUTIDCWIC-SWLSCSKDSA-N 1 0 323.412 2.403 10 0 DEAERO CSc1ccc(NC(=O)CN2CCC([NH+](C)C)CC2)cc1 ZINC000178708169 402529196 /nfs/dbraw/zinc/52/91/96/402529196.db2.gz SYKMUJGQQQZAAM-UHFFFAOYSA-N 1 0 307.463 2.373 10 0 DEAERO COc1ccc([C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C2CC2)cc1 ZINC000170827500 402529901 /nfs/dbraw/zinc/52/99/01/402529901.db2.gz HIIWSQQHYPUSJR-RDJZCZTQSA-N 1 0 317.433 2.492 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOCCC(C)C)[C@@H](C)C1 ZINC000246419039 402530125 /nfs/dbraw/zinc/53/01/25/402530125.db2.gz LRJCVRUAZUUXEB-HOTGVXAUSA-N 1 0 313.486 2.421 10 0 DEAERO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246420082 402530540 /nfs/dbraw/zinc/53/05/40/402530540.db2.gz RUGIDPFRDVUZGY-OWCLPIDISA-N 1 0 323.481 2.317 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1snnc1C(C)(C)C ZINC000189064312 402530706 /nfs/dbraw/zinc/53/07/06/402530706.db2.gz SULGWSIEGPMEMT-NSHDSACASA-N 1 0 310.467 2.440 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCc2ccccn2)[C@H](C)C1 ZINC000178725066 402531062 /nfs/dbraw/zinc/53/10/62/402531062.db2.gz XOSRHHIVAJUVEV-WBVHZDCISA-N 1 0 318.465 2.386 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2cccc(C)c2)[C@@H](C)C1 ZINC000246454742 402531901 /nfs/dbraw/zinc/53/19/01/402531901.db2.gz FOSXTXNCNXASSE-FUHWJXTLSA-N 1 0 317.477 2.273 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2cccs2)[C@@H](C)C1 ZINC000246467734 402532861 /nfs/dbraw/zinc/53/28/61/402532861.db2.gz GOCOIBJTNDPKER-GOEBONIOSA-N 1 0 323.506 2.369 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)C1 ZINC000170863393 402534509 /nfs/dbraw/zinc/53/45/09/402534509.db2.gz FMVKXBUCACIFRR-AWEZNQCLSA-N 1 0 308.809 2.465 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000170864812 402535088 /nfs/dbraw/zinc/53/50/88/402535088.db2.gz IETYHGJXKXWZNM-HNNXBMFYSA-N 1 0 318.808 2.302 10 0 DEAERO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cnn1-c1ccccc1C ZINC000170867052 402535794 /nfs/dbraw/zinc/53/57/94/402535794.db2.gz JECKZVFXQZKNGO-OAHLLOKOSA-N 1 0 312.417 2.265 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC[N@@H+]1C ZINC000246691865 402540978 /nfs/dbraw/zinc/54/09/78/402540978.db2.gz MXGXKRHEUPLWHK-QCODTGAPSA-N 1 0 321.465 2.068 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180800953 402626634 /nfs/dbraw/zinc/62/66/34/402626634.db2.gz NSYBFKAADQTAAO-KRWDZBQOSA-N 1 0 313.380 2.443 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000248124216 402582973 /nfs/dbraw/zinc/58/29/73/402582973.db2.gz NRSKWINMHACEAT-SOLBZPMBSA-N 1 0 323.481 2.055 10 0 DEAERO NC(=O)[C@H](c1ccc(F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171385734 402583080 /nfs/dbraw/zinc/58/30/80/402583080.db2.gz IIHGSBWWLLXDCO-KRWDZBQOSA-N 1 0 319.424 2.160 10 0 DEAERO CC(C)(C)CCNC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000171385871 402583280 /nfs/dbraw/zinc/58/32/80/402583280.db2.gz GKDVWUOGCNIXMK-UHFFFAOYSA-N 1 0 309.498 2.347 10 0 DEAERO CC[C@H](C)[C@H](O)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248136234 402583799 /nfs/dbraw/zinc/58/37/99/402583799.db2.gz XNLRIEVQHRGXRI-QMCVQRASSA-N 1 0 319.449 2.138 10 0 DEAERO Fc1ccc(-n2ccc(CN3CC[NH+](C4CC4)CC3)n2)c(F)c1 ZINC000190201440 402584349 /nfs/dbraw/zinc/58/43/49/402584349.db2.gz WKTGMUGLHMPHLT-UHFFFAOYSA-N 1 0 318.371 2.431 10 0 DEAERO C[C@H](c1nc(C(C)(C)C)no1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249402307 402628837 /nfs/dbraw/zinc/62/88/37/402628837.db2.gz SXXDGBGKHYGLDV-QWHCGFSZSA-N 1 0 324.469 2.205 10 0 DEAERO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCCCC3)C2)no1 ZINC000171503794 402589882 /nfs/dbraw/zinc/58/98/82/402589882.db2.gz QDLWAYMHDZMJDU-ZFWWWQNUSA-N 1 0 320.437 2.034 10 0 DEAERO Cc1nnc([C@@H](C)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000248644839 402601174 /nfs/dbraw/zinc/60/11/74/402601174.db2.gz FRKJWCGKMQHDQG-CJNGLKHVSA-N 1 0 315.421 2.288 10 0 DEAERO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCCOC2)CC1 ZINC000171614497 402601564 /nfs/dbraw/zinc/60/15/64/402601564.db2.gz RBOSSPFQOVUCAQ-INIZCTEOSA-N 1 0 311.470 2.319 10 0 DEAERO Cc1ccc(C)c(NC(=O)[C@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171640934 402605185 /nfs/dbraw/zinc/60/51/85/402605185.db2.gz GNMACHLQEXWEHN-JKSUJKDBSA-N 1 0 301.434 2.410 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000171647363 402605588 /nfs/dbraw/zinc/60/55/88/402605588.db2.gz JOKTXZBKAYZJTO-AWEZNQCLSA-N 1 0 321.446 2.292 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C(\C)c2ccccc2)CC1 ZINC000171653173 402606415 /nfs/dbraw/zinc/60/64/15/402606415.db2.gz CKMVSVJWMHMGGZ-VOGRQWBCSA-N 1 0 302.418 2.005 10 0 DEAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248740218 402606655 /nfs/dbraw/zinc/60/66/55/402606655.db2.gz DESJCQLTZFTYAB-YVECIDJPSA-N 1 0 322.371 2.021 10 0 DEAERO Cn1cc([C@@H]2CC[N@@H+]([C@H]3CCc4ccccc4NC3=O)C2)cn1 ZINC000248826341 402610067 /nfs/dbraw/zinc/61/00/67/402610067.db2.gz GXTQKGWOKYSERA-PBHICJAKSA-N 1 0 310.401 2.163 10 0 DEAERO O=C(CC[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1ccccc1F ZINC000171701915 402611892 /nfs/dbraw/zinc/61/18/92/402611892.db2.gz ZNKXTGVICNQUCR-ZDUSSCGKSA-N 1 0 317.368 2.083 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCc2cccnc21 ZINC000248895027 402613518 /nfs/dbraw/zinc/61/35/18/402613518.db2.gz XGTAZBUBTFITEE-CVEARBPZSA-N 1 0 301.434 2.444 10 0 DEAERO CCn1cc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cn1 ZINC000180535833 402619187 /nfs/dbraw/zinc/61/91/87/402619187.db2.gz KSRQWBZHUKEVRW-TZMCWYRMSA-N 1 0 302.426 2.284 10 0 DEAERO CCc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC)ccc1C ZINC000180598340 402620910 /nfs/dbraw/zinc/62/09/10/402620910.db2.gz LGRWLSHMRNKKMM-MRXNPFEDSA-N 1 0 317.433 2.096 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc3c(c1)OCO3)CC2 ZINC000180631097 402621926 /nfs/dbraw/zinc/62/19/26/402621926.db2.gz HHTZGNZWDLINLF-DGCLKSJQSA-N 1 0 314.389 2.235 10 0 DEAERO CC[C@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1cnn(C)c1 ZINC000180650848 402622441 /nfs/dbraw/zinc/62/24/41/402622441.db2.gz NTBXPJJNORSZPJ-KBPBESRZSA-N 1 0 302.426 2.191 10 0 DEAERO COC[C@H](C)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000249213177 402623828 /nfs/dbraw/zinc/62/38/28/402623828.db2.gz YTJCKVLHHYGZGS-HUUCEWRRSA-N 1 0 306.454 2.466 10 0 DEAERO COCCN1CCC[N@@H+]([C@H]2CCCc3ccccc32)CC1=O ZINC000190805903 402623904 /nfs/dbraw/zinc/62/39/04/402623904.db2.gz QLHBIDVVCJWYFD-KRWDZBQOSA-N 1 0 302.418 2.245 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000249293229 402624782 /nfs/dbraw/zinc/62/47/82/402624782.db2.gz WVTLMCFNCLVBSH-SWLSCSKDSA-N 1 0 323.412 2.362 10 0 DEAERO COc1cc(Br)ccc1C[NH2+]C1(CO)CCC1 ZINC000180961907 402631098 /nfs/dbraw/zinc/63/10/98/402631098.db2.gz FFBPPDUHFQYWOO-UHFFFAOYSA-N 1 0 300.196 2.462 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1cccs1 ZINC000171898132 402632658 /nfs/dbraw/zinc/63/26/58/402632658.db2.gz KSLZLSGVLSSPQS-STQMWFEESA-N 1 0 311.451 2.219 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cnn([C@H](C)C3CC3)c2)C1 ZINC000249522749 402632737 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O=C(c1cc2ccccc2oc1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195095031 402830862 /nfs/dbraw/zinc/83/08/62/402830862.db2.gz FZYUHFYPAXCYER-AWEZNQCLSA-N 1 0 312.369 2.103 10 0 DEAERO CC[NH+]1CCN(c2cccc(NC(=O)C(C)(C)OC)c2)CC1 ZINC000184263401 402831546 /nfs/dbraw/zinc/83/15/46/402831546.db2.gz XQAPNODVFQYULM-UHFFFAOYSA-N 1 0 305.422 2.192 10 0 DEAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1COc2ccccc21 ZINC000175784812 402832387 /nfs/dbraw/zinc/83/23/87/402832387.db2.gz CMLJAKMWFVEBJW-WBVHZDCISA-N 1 0 318.417 2.030 10 0 DEAERO CCC[C@H](C(=O)N1CCC[C@H](CC(=O)OC(C)C)C1)[NH+](C)C ZINC000184283617 402832534 /nfs/dbraw/zinc/83/25/34/402832534.db2.gz DNUDAGWIHZYYLC-HUUCEWRRSA-N 1 0 312.454 2.297 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([S@](C)=O)cc1 ZINC000175787737 402833015 /nfs/dbraw/zinc/83/30/15/402833015.db2.gz PJLAWZLDQUJMTB-DMZKTXOQSA-N 1 0 323.462 2.420 10 0 DEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000195206658 402836381 /nfs/dbraw/zinc/83/63/81/402836381.db2.gz NAROCYUJUKZADN-GJZGRUSLSA-N 1 0 322.453 2.039 10 0 DEAERO Cc1cnn(CC[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000195199708 402836462 /nfs/dbraw/zinc/83/64/62/402836462.db2.gz USJQMXMMXWWOMR-QGZVFWFLSA-N 1 0 322.453 2.428 10 0 DEAERO C[C@@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)[C@@H]2CCCC[C@@H]21 ZINC000183673465 402787746 /nfs/dbraw/zinc/78/77/46/402787746.db2.gz MKTJZWKOZSGDCL-BRWVUGGUSA-N 1 0 323.481 2.319 10 0 DEAERO CCN(CC)C(=O)[C@H](C)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000195501695 402847499 /nfs/dbraw/zinc/84/74/99/402847499.db2.gz VGYIGGGSKNKARW-AWEZNQCLSA-N 1 0 306.454 2.339 10 0 DEAERO CCn1cc(C2CC[NH+](CC(=O)N3CCC(C)CC3)CC2)cn1 ZINC000195500593 402847579 /nfs/dbraw/zinc/84/75/79/402847579.db2.gz XEPHOMNFZODAET-UHFFFAOYSA-N 1 0 318.465 2.341 10 0 DEAERO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503234 402847632 /nfs/dbraw/zinc/84/76/32/402847632.db2.gz BOJHWNQCULTTEG-CQSZACIVSA-N 1 0 318.465 2.437 10 0 DEAERO CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505803 402848229 /nfs/dbraw/zinc/84/82/29/402848229.db2.gz ZCDRKOMNPYFOMP-HNNXBMFYSA-N 1 0 304.438 2.380 10 0 DEAERO CCn1cc(C2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)cn1 ZINC000195513145 402848631 /nfs/dbraw/zinc/84/86/31/402848631.db2.gz BIQGPXQUMQGZDB-MRXNPFEDSA-N 1 0 309.454 2.258 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](COCC)C2)CC1 ZINC000176026129 402848627 /nfs/dbraw/zinc/84/86/27/402848627.db2.gz HXLBBZCZQRQLRK-MRXNPFEDSA-N 1 0 311.470 2.176 10 0 DEAERO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515880 402848800 /nfs/dbraw/zinc/84/88/00/402848800.db2.gz BFPAPIHJEYMPMR-SOUVJXGZSA-N 1 0 304.438 2.119 10 0 DEAERO C[C@H](CCc1cccn1C)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000176032867 402849061 /nfs/dbraw/zinc/84/90/61/402849061.db2.gz MIIVFEZUQLKJNV-NVXWUHKLSA-N 1 0 316.449 2.002 10 0 DEAERO COc1cccc(Cl)c1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184528680 402849324 /nfs/dbraw/zinc/84/93/24/402849324.db2.gz QLBFJDPUVKVYDG-GFCCVEGCSA-N 1 0 308.809 2.198 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(c2ncnc3cc(Cl)ccc32)C[C@H]1C ZINC000264353950 402870599 /nfs/dbraw/zinc/87/05/99/402870599.db2.gz STGBAFBBYNQXQY-NEPJUHHUSA-N 1 0 320.824 2.175 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C1(CC)CC ZINC000191066798 286282892 /nfs/dbraw/zinc/28/28/92/286282892.db2.gz SPMBECIIIYPBDA-MGPQQGTHSA-N 1 0 305.484 2.241 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)cc(C)n2)C12CCOCC2 ZINC000274400819 403051944 /nfs/dbraw/zinc/05/19/44/403051944.db2.gz FPSDKJARBAGNJF-DLBZAZTESA-N 1 0 320.433 2.462 10 0 DEAERO C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000275698179 403116487 /nfs/dbraw/zinc/11/64/87/403116487.db2.gz XJHOIUKKSVTBPO-IDJPSDCMSA-N 1 0 324.428 2.238 10 0 DEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000282361480 403146686 /nfs/dbraw/zinc/14/66/86/403146686.db2.gz NHVRDBYZWMLTTP-XVKPBYJWSA-N 1 0 303.225 2.267 10 0 DEAERO CC(=O)N(C[C@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000276598371 403190091 /nfs/dbraw/zinc/19/00/91/403190091.db2.gz VHMPSIYCEBJHRS-MOPGFXCFSA-N 1 0 316.445 2.065 10 0 DEAERO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+]1CCCC1(C)C ZINC000343003202 403425680 /nfs/dbraw/zinc/42/56/80/403425680.db2.gz MGHFDUPDWDSMKO-MRXNPFEDSA-N 1 0 302.418 2.177 10 0 DEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CCC(=O)CC1 ZINC000343520084 403620178 /nfs/dbraw/zinc/62/01/78/403620178.db2.gz GCNHGUFQTBLXBW-CQSZACIVSA-N 1 0 302.418 2.382 10 0 DEAERO COCCC(C)(C)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000183936564 292282254 /nfs/dbraw/zinc/28/22/54/292282254.db2.gz OMUSSKWDWPGTQR-GFCCVEGCSA-N 1 0 314.451 2.047 10 0 DEAERO Cc1c(NC(=O)N(C)[C@@H]2CCC[NH2+]CC2)cnn1CC(C)C ZINC000333129831 403672882 /nfs/dbraw/zinc/67/28/82/403672882.db2.gz HSFHVAREJMPJPK-CQSZACIVSA-N 1 0 307.442 2.453 10 0 DEAERO Cc1cc(N2CCO[C@@H](CO)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301564306 403648698 /nfs/dbraw/zinc/64/86/98/403648698.db2.gz PONLMGDQKBNHTM-GFCCVEGCSA-N 1 0 324.327 2.342 10 0 DEAERO C[C@@H](C1CC1)n1cc(NC(=O)N(C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000333279434 403714861 /nfs/dbraw/zinc/71/48/61/403714861.db2.gz HILJDKGRFPFGNB-SWLSCSKDSA-N 1 0 305.426 2.460 10 0 DEAERO CCNC(=O)N1CCc2ccc(N[C@H]3CCC[NH2+]CC3)cc21 ZINC000333288685 403717494 /nfs/dbraw/zinc/71/74/94/403717494.db2.gz OAJKOQBRVAAQAW-AWEZNQCLSA-N 1 0 302.422 2.333 10 0 DEAERO COCc1cnc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000333309825 403722148 /nfs/dbraw/zinc/72/21/48/403722148.db2.gz LLNWUJYXLPRKPY-CYBMUJFWSA-N 1 0 324.450 2.285 10 0 DEAERO O=C(Nc1ccc2cc[nH]c(=O)c2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000333368946 403735899 /nfs/dbraw/zinc/73/58/99/403735899.db2.gz IQGZANJVSVLDOL-CQSZACIVSA-N 1 0 312.373 2.252 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]CCN2CCC(C)CC2)C12CCOCC2 ZINC000186246036 286386507 /nfs/dbraw/zinc/38/65/07/286386507.db2.gz ZTAGBYKCDXHOBC-DLBZAZTESA-N 1 0 310.482 2.282 10 0 DEAERO O=C(NCC1=CC[NH2+]CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000333697127 403820014 /nfs/dbraw/zinc/82/00/14/403820014.db2.gz QICNNWWNRUOJEJ-UHFFFAOYSA-N 1 0 310.401 2.155 10 0 DEAERO CCCN(C(=O)N[C@@H]1CCCC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000333710369 403826709 /nfs/dbraw/zinc/82/67/09/403826709.db2.gz SGCOBPHRRUGQKU-QKPAOTATSA-N 1 0 323.481 2.364 10 0 DEAERO Cc1ccc(C2CCN(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)cn1 ZINC000333720480 403831442 /nfs/dbraw/zinc/83/14/42/403831442.db2.gz UNMKLHPPXZMYDY-GUYCJALGSA-N 1 0 316.449 2.277 10 0 DEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333533015 403774626 /nfs/dbraw/zinc/77/46/26/403774626.db2.gz MNUJITMFBPUHIZ-CJNGLKHVSA-N 1 0 313.405 2.054 10 0 DEAERO C[NH2+]CC1CCN(C(=O)N[C@H]2CCOc3c(F)cccc32)CC1 ZINC000333589350 403786438 /nfs/dbraw/zinc/78/64/38/403786438.db2.gz AXCIEAKLDGLEJE-HNNXBMFYSA-N 1 0 321.396 2.290 10 0 DEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCC[NH2+]2)C12CCCC2 ZINC000333624233 403795448 /nfs/dbraw/zinc/79/54/48/403795448.db2.gz FPVPHLYHMRQAGA-RBSFLKMASA-N 1 0 309.454 2.118 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000333877398 403895101 /nfs/dbraw/zinc/89/51/01/403895101.db2.gz VOXLDMAKKUNTLV-CVEARBPZSA-N 1 0 321.396 2.051 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(c3nc(-c4ccccn4)nc4c3CCC4)C[C@@H]12 ZINC000333873695 403893020 /nfs/dbraw/zinc/89/30/20/403893020.db2.gz CERCUZWDDBPCPY-NWANDNLSSA-N 1 0 321.428 2.201 10 0 DEAERO OC[C@@]1(O)CCCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000313627383 403987189 /nfs/dbraw/zinc/98/71/89/403987189.db2.gz BSVZSQFYXUNOPH-CQSZACIVSA-N 1 0 310.444 2.191 10 0 DEAERO C(CN1CCO[C@H](C2CCC2)C1)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411846675 403991316 /nfs/dbraw/zinc/99/13/16/403991316.db2.gz LWVGOQBOUVHEQM-OALUTQOASA-N 1 0 322.493 2.378 10 0 DEAERO C(CN1CCO[C@H](C2CCC2)C1)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411846662 403992171 /nfs/dbraw/zinc/99/21/71/403992171.db2.gz LWVGOQBOUVHEQM-KDURUIRLSA-N 1 0 322.493 2.378 10 0 DEAERO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3cc[nH]n3)o1)C[C@@H](C)O2 ZINC000369294928 404036118 /nfs/dbraw/zinc/03/61/18/404036118.db2.gz UAJUBAFGZBFNRM-PBFPGSCMSA-N 1 0 317.389 2.438 10 0 DEAERO C[C@H]1CN(C(=O)c2ncccc2N)CC[N@H+](Cc2ccccc2)C1 ZINC000323645333 404092109 /nfs/dbraw/zinc/09/21/09/404092109.db2.gz SRGDNDLNJUTHKG-OAHLLOKOSA-N 1 0 324.428 2.258 10 0 DEAERO C[C@@H]1CN(C[C@H](O)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000323892156 404096343 /nfs/dbraw/zinc/09/63/43/404096343.db2.gz GALHLXGFMIILOJ-ZFWWWQNUSA-N 1 0 316.367 2.364 10 0 DEAERO CC(=O)c1ncc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000412099899 404134514 /nfs/dbraw/zinc/13/45/14/404134514.db2.gz HWZOEGWGYJMEMG-CYBMUJFWSA-N 1 0 321.446 2.436 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ncnn3C1)CCCO2 ZINC000180604066 286429878 /nfs/dbraw/zinc/42/98/78/286429878.db2.gz WRUZMHUAFYMUIX-SWLSCSKDSA-N 1 0 314.389 2.105 10 0 DEAERO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CCOc1ccc(F)cc1 ZINC000369631961 404173440 /nfs/dbraw/zinc/17/34/40/404173440.db2.gz VGIYWLHWHSKCIW-HNNXBMFYSA-N 1 0 322.424 2.390 10 0 DEAERO CN(C)C(=O)N1CCC([NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000341870125 404224052 /nfs/dbraw/zinc/22/40/52/404224052.db2.gz AYPYSHHRQRABJN-MRXNPFEDSA-N 1 0 302.422 2.268 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000369900573 404266903 /nfs/dbraw/zinc/26/69/03/404266903.db2.gz BWRDWVOVJJYLRG-OAHLLOKOSA-N 1 0 310.401 2.247 10 0 DEAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)nn1 ZINC000329509975 404361958 /nfs/dbraw/zinc/36/19/58/404361958.db2.gz JVJUSDKWYLQUSO-QBPKDAKJSA-N 1 0 322.453 2.169 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C12CCOCC2 ZINC000329484998 404352069 /nfs/dbraw/zinc/35/20/69/404352069.db2.gz SMXPMJRLKVNPRK-YLFCFFPRSA-N 1 0 311.466 2.349 10 0 DEAERO Cc1noc([C@H]2CC[N@H+](Cc3ccc(-n4cncn4)c(C)c3)C2)n1 ZINC000344826135 404389857 /nfs/dbraw/zinc/38/98/57/404389857.db2.gz KRJUXRVWPSIQQG-HNNXBMFYSA-N 1 0 324.388 2.257 10 0 DEAERO CCn1nccc1CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000338569242 404409619 /nfs/dbraw/zinc/40/96/19/404409619.db2.gz HSXMQAAJBKFNPH-DLBZAZTESA-N 1 0 303.381 2.393 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+]CC2(C)OCCCO2)c2ccccc2C1 ZINC000373805650 404595342 /nfs/dbraw/zinc/59/53/42/404595342.db2.gz FTDCXYFPKMHUAG-QGZVFWFLSA-N 1 0 318.417 2.223 10 0 DEAERO CC(=O)CCC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000374391241 404706011 /nfs/dbraw/zinc/70/60/11/404706011.db2.gz WXCPCUPVUMHELI-HNNXBMFYSA-N 1 0 302.418 2.479 10 0 DEAERO CCn1cc(CC[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cn1 ZINC000375701872 404730982 /nfs/dbraw/zinc/73/09/82/404730982.db2.gz PXXDODSBDGOTIV-CQSZACIVSA-N 1 0 301.394 2.195 10 0 DEAERO c1ccc(OCC[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000375769277 404743208 /nfs/dbraw/zinc/74/32/08/404743208.db2.gz FKMXPRIAKNXGLL-UHFFFAOYSA-N 1 0 312.417 2.483 10 0 DEAERO C[C@@H](NCc1ncc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000414855433 404749617 /nfs/dbraw/zinc/74/96/17/404749617.db2.gz NEQRTXPWDVCMDD-BDAKNGLRSA-N 1 0 304.257 2.383 10 0 DEAERO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC2(C1)CCCCC2 ZINC000357972566 404749746 /nfs/dbraw/zinc/74/97/46/404749746.db2.gz IVLVOJGJRRWPOT-UHFFFAOYSA-N 1 0 323.481 2.017 10 0 DEAERO c1cncc(CNCCC[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000414879073 404755333 /nfs/dbraw/zinc/75/53/33/404755333.db2.gz ONOREMCVEROHAA-UHFFFAOYSA-N 1 0 313.401 2.122 10 0 DEAERO C[C@@H](C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)[NH+]1CCCCCC1 ZINC000358228813 404757093 /nfs/dbraw/zinc/75/70/93/404757093.db2.gz SZPPYKBPZFRRNA-MAUKXSAKSA-N 1 0 324.465 2.047 10 0 DEAERO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(C2CCOCC2)CC1 ZINC000366570487 404817655 /nfs/dbraw/zinc/81/76/55/404817655.db2.gz FRMIGMKLQOQBFI-AWEZNQCLSA-N 1 0 311.470 2.175 10 0 DEAERO FCCn1ncnc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000366942315 404875851 /nfs/dbraw/zinc/87/58/51/404875851.db2.gz YVYOXBIOQWPXKQ-MRXNPFEDSA-N 1 0 323.460 2.336 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCc2c(cccc2OC)C1 ZINC000360891982 404846593 /nfs/dbraw/zinc/84/65/93/404846593.db2.gz UXVASBNDHLVGIW-MRXNPFEDSA-N 1 0 302.418 2.454 10 0 DEAERO CC(=O)c1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000415446353 404864415 /nfs/dbraw/zinc/86/44/15/404864415.db2.gz JYQOADUUNMCIMR-PHIMTYICSA-N 1 0 307.781 2.226 10 0 DEAERO COC(=O)[C@@H](C1CC1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361074275 404904379 /nfs/dbraw/zinc/90/43/79/404904379.db2.gz STGAEBLEKLGSND-MRXNPFEDSA-N 1 0 305.422 2.327 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccncc2Cl)C1 ZINC000379224631 405025876 /nfs/dbraw/zinc/02/58/76/405025876.db2.gz QUNCZWHNEDKINX-GMSGAONNSA-N 1 0 307.703 2.229 10 0 DEAERO C/C=C/C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000385061322 405034107 /nfs/dbraw/zinc/03/41/07/405034107.db2.gz UUUWVNDJSZSAHF-JDGPPOGSSA-N 1 0 300.196 2.355 10 0 DEAERO C[NH+](C)CCOc1cccc(CNC(=O)N2CCC23CCC3)c1 ZINC000435586537 404993282 /nfs/dbraw/zinc/99/32/82/404993282.db2.gz ZJSAXGQRRUCONR-UHFFFAOYSA-N 1 0 317.433 2.465 10 0 DEAERO Brc1cnn(CCC[NH2+][C@H]2CCCc3n[nH]cc32)c1 ZINC000367476106 405063194 /nfs/dbraw/zinc/06/31/94/405063194.db2.gz UAXBIWZRJNOIJJ-LBPRGKRZSA-N 1 0 324.226 2.426 10 0 DEAERO Cn1ncc(Cl)c1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000436316284 405069873 /nfs/dbraw/zinc/06/98/73/405069873.db2.gz RRAVUBUXGAECIP-LLVKDONJSA-N 1 0 307.781 2.393 10 0 DEAERO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCc2cncnc2C1 ZINC000408094285 405110066 /nfs/dbraw/zinc/11/00/66/405110066.db2.gz RWCOEZPPXNYHBN-HOSILWTGSA-N 1 0 316.449 2.164 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)o1 ZINC000408097522 405111423 /nfs/dbraw/zinc/11/14/23/405111423.db2.gz MDYNRXCPNNHRIL-AWEZNQCLSA-N 1 0 312.435 2.227 10 0 DEAERO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000408150876 405125484 /nfs/dbraw/zinc/12/54/84/405125484.db2.gz XXXCUEPTIKLMKW-LVQVYYBASA-N 1 0 310.482 2.410 10 0 DEAERO C/C=C\C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(=O)OCC ZINC000361570820 405134900 /nfs/dbraw/zinc/13/49/00/405134900.db2.gz YNBRFAPSFDTTSF-WRLNGNIRSA-N 1 0 318.417 2.376 10 0 DEAERO CCOc1cccc(C[N@H+](CCO)C[C@H](O)CC(F)(F)F)c1 ZINC000452050414 405142431 /nfs/dbraw/zinc/14/24/31/405142431.db2.gz VFYLERUEMNITQX-CYBMUJFWSA-N 1 0 321.339 2.193 10 0 DEAERO CC(C)c1cc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc(=O)[nH]1 ZINC000408360319 405185481 /nfs/dbraw/zinc/18/54/81/405185481.db2.gz YSSYNZQYQGCVMS-HNNXBMFYSA-N 1 0 305.422 2.323 10 0 DEAERO C[C@@H]1CN(CCO)CC[N@@H+]1CCn1ccc2cc(Cl)ccc21 ZINC000452136162 405192263 /nfs/dbraw/zinc/19/22/63/405192263.db2.gz XMFQBNZMAZUYMD-CQSZACIVSA-N 1 0 321.852 2.293 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000408404810 405197369 /nfs/dbraw/zinc/19/73/69/405197369.db2.gz ARCJUPIJNITBEO-CYBMUJFWSA-N 1 0 318.417 2.272 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000439044799 405263588 /nfs/dbraw/zinc/26/35/88/405263588.db2.gz ZXJFMQXEYRVKPQ-ZIAGYGMSSA-N 1 0 317.339 2.114 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000439044798 405263676 /nfs/dbraw/zinc/26/36/76/405263676.db2.gz ZXJFMQXEYRVKPQ-UONOGXRCSA-N 1 0 317.339 2.114 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000439042172 405263740 /nfs/dbraw/zinc/26/37/40/405263740.db2.gz JUAHLCKECSCABA-ZFWWWQNUSA-N 1 0 317.339 2.114 10 0 DEAERO COC1([C@H](C)[NH2+]CCc2cn3ccccc3n2)CCOCC1 ZINC000453098858 405283512 /nfs/dbraw/zinc/28/35/12/405283512.db2.gz XCSJQEKVPWVCHW-AWEZNQCLSA-N 1 0 303.406 2.051 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1csc([C@H](C)OC)n1 ZINC000438411458 405245852 /nfs/dbraw/zinc/24/58/52/405245852.db2.gz YRFZMHMISQHANB-AAEUAGOBSA-N 1 0 311.451 2.341 10 0 DEAERO Cc1ccc(CNC(=O)C[NH2+]C2(CCO)CCCCC2)cc1 ZINC000440897661 405330176 /nfs/dbraw/zinc/33/01/76/405330176.db2.gz BFQQPXDIPANMHS-UHFFFAOYSA-N 1 0 304.434 2.286 10 0 DEAERO c1nc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000420378022 405337907 /nfs/dbraw/zinc/33/79/07/405337907.db2.gz AWZBFRCBHPTAAF-WBVHZDCISA-N 1 0 311.433 2.231 10 0 DEAERO CN(C)c1ccc(NC(=O)NCCCC[N@H+](C)C2CC2)cn1 ZINC000454467940 405350043 /nfs/dbraw/zinc/35/00/43/405350043.db2.gz NTPKHFLHGNKYEC-UHFFFAOYSA-N 1 0 305.426 2.144 10 0 DEAERO c1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)ccc1CN1CCOCC1 ZINC000420913820 405403737 /nfs/dbraw/zinc/40/37/37/405403737.db2.gz BJORJBGWJLEXNR-LJQANCHMSA-N 1 0 316.445 2.130 10 0 DEAERO Cc1nn(C)cc1CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000448651658 405431888 /nfs/dbraw/zinc/43/18/88/405431888.db2.gz XIQBAFGQKMYASL-UHFFFAOYSA-N 1 0 306.454 2.042 10 0 DEAERO O=C(CC1(O)CCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000448897605 405460980 /nfs/dbraw/zinc/46/09/80/405460980.db2.gz JHPMMZMFERCRNI-INIZCTEOSA-N 1 0 308.466 2.406 10 0 DEAERO CO[C@@]1(C[NH2+]C[C@H]2CCCCN2Cc2ccccc2)CCOC1 ZINC000638449390 405476068 /nfs/dbraw/zinc/47/60/68/405476068.db2.gz PBXDMFWYMBURNQ-RTBURBONSA-N 1 0 318.461 2.436 10 0 DEAERO C[C@@H]([NH2+]CCc1cn(C)cn1)c1cncc(Br)c1 ZINC000577627587 405483180 /nfs/dbraw/zinc/48/31/80/405483180.db2.gz BJWHGQRFUDKNEO-SNVBAGLBSA-N 1 0 309.211 2.471 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2coc3ccccc23)CC12COC2 ZINC000449363594 405525467 /nfs/dbraw/zinc/52/54/67/405525467.db2.gz MJRIATRKQKRYEE-HNNXBMFYSA-N 1 0 315.369 2.444 10 0 DEAERO C/C=C/CNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638683008 405616223 /nfs/dbraw/zinc/61/62/23/405616223.db2.gz COESCXGDLNHAPG-NSCUHMNNSA-N 1 0 301.434 2.062 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)c(Br)c2)C[NH2+]1 ZINC000638650530 405593993 /nfs/dbraw/zinc/59/39/93/405593993.db2.gz BFJXKXPDDQGLGZ-PSASIEDQSA-N 1 0 315.186 2.459 10 0 DEAERO c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)O2)cc1 ZINC000423119712 405701977 /nfs/dbraw/zinc/70/19/77/405701977.db2.gz DINSVBQGIDZOLM-HCXYKTFWSA-N 1 0 316.445 2.263 10 0 DEAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000408456200 286620363 /nfs/dbraw/zinc/62/03/63/286620363.db2.gz GTKSBSWOHUMZAV-FRRDWIJNSA-N 1 0 324.437 2.262 10 0 DEAERO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000638992455 405805369 /nfs/dbraw/zinc/80/53/69/405805369.db2.gz DUZHTVMCHIGYRG-RKDXNWHRSA-N 1 0 300.271 2.032 10 0 DEAERO CO[C@@H](C)[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000584086342 405820478 /nfs/dbraw/zinc/82/04/78/405820478.db2.gz FIEQKSAUIHBIPU-VYDXJSESSA-N 1 0 319.449 2.374 10 0 DEAERO CCn1nncc1CN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000459362300 405872396 /nfs/dbraw/zinc/87/23/96/405872396.db2.gz PXCMWCCTNYWSPW-INIZCTEOSA-N 1 0 313.449 2.394 10 0 DEAERO CCOc1cc(C[NH2+]CC(=O)NC2CCCCC2)ccc1O ZINC000459397291 405885993 /nfs/dbraw/zinc/88/59/93/405885993.db2.gz GXSPAUTWVYTXNT-UHFFFAOYSA-N 1 0 306.406 2.329 10 0 DEAERO c1c(CN2CCC[N@@H+](C3CCCC3)CC2)nnn1CC1CC1 ZINC000450429410 405892650 /nfs/dbraw/zinc/89/26/50/405892650.db2.gz ZMOWASIWMYOVHI-UHFFFAOYSA-N 1 0 303.454 2.138 10 0 DEAERO c1ccc(N2CC[C@H](C[N@@H+]3CCO[C@@]4(CCCOC4)C3)C2)cc1 ZINC000639157392 405932821 /nfs/dbraw/zinc/93/28/21/405932821.db2.gz NDTFHEPRWOPFQL-MJGOQNOKSA-N 1 0 316.445 2.394 10 0 DEAERO Cc1ccccc1-c1ccccc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459722746 406019266 /nfs/dbraw/zinc/01/92/66/406019266.db2.gz VHDNEKKSVWITKP-KRWDZBQOSA-N 1 0 322.412 2.404 10 0 DEAERO c1cc(-c2nncnn2)ccc1C[NH2+]CC1CCSCC1 ZINC000639297830 406029847 /nfs/dbraw/zinc/02/98/47/406029847.db2.gz XTBZDBAOAOTGDA-UHFFFAOYSA-N 1 0 301.419 2.166 10 0 DEAERO CC(=O)[C@](C)(O)C[N@H+](C)CCc1cccc(Br)c1 ZINC000451059723 406032948 /nfs/dbraw/zinc/03/29/48/406032948.db2.gz OAMPZCABGNEYEW-CQSZACIVSA-N 1 0 314.223 2.263 10 0 DEAERO O[C@H](C[NH2+]Cc1ccc(-c2ccccc2)s1)Cn1ccnn1 ZINC000459688522 406007232 /nfs/dbraw/zinc/00/72/32/406007232.db2.gz COPMJJJIYJILQN-CQSZACIVSA-N 1 0 314.414 2.157 10 0 DEAERO c1ccc2c(c1)CO[C@H](C[NH2+]Cc1cc3c(cn1)OCCO3)C2 ZINC000639345084 406058875 /nfs/dbraw/zinc/05/88/75/406058875.db2.gz DDDLDMAGRXFULJ-INIZCTEOSA-N 1 0 312.369 2.084 10 0 DEAERO CCOC(=O)COc1ccc(C[NH2+][C@H]2CC[C@H](OC)C2)cc1 ZINC000471800703 406119876 /nfs/dbraw/zinc/11/98/76/406119876.db2.gz WPRCCCXGXVLETL-HOCLYGCPSA-N 1 0 307.390 2.286 10 0 DEAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000533207972 406129789 /nfs/dbraw/zinc/12/97/89/406129789.db2.gz ZVRAWRVSCKWAKJ-AWEZNQCLSA-N 1 0 312.454 2.299 10 0 DEAERO c1cn(-c2ccc(C[N@@H+]3CC[C@H](Nc4ncccn4)C3)cc2)cn1 ZINC000567905305 406158434 /nfs/dbraw/zinc/15/84/34/406158434.db2.gz QZATVZQEEGBSLA-INIZCTEOSA-N 1 0 320.400 2.349 10 0 DEAERO CC[N@H+](CCNCc1c(Br)cnn1C)C(C)C ZINC000486959838 406193561 /nfs/dbraw/zinc/19/35/61/406193561.db2.gz YCFSQXXEMAIYCD-UHFFFAOYSA-N 1 0 303.248 2.003 10 0 DEAERO Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c(C)c1 ZINC000568160814 406199218 /nfs/dbraw/zinc/19/92/18/406199218.db2.gz SOHSLSNPXMAYFD-KBXCAEBGSA-N 1 0 315.417 2.347 10 0 DEAERO Cc1cccc(NCC[NH2+]Cc2c(Br)cnn2C)n1 ZINC000487309820 406222709 /nfs/dbraw/zinc/22/27/09/406222709.db2.gz CJIGTPBPDHWGRK-UHFFFAOYSA-N 1 0 324.226 2.088 10 0 DEAERO Cn1ncc(Br)c1CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487331634 406224833 /nfs/dbraw/zinc/22/48/33/406224833.db2.gz YGLLFRPMSFDNDN-MNOVXSKESA-N 1 0 315.259 2.145 10 0 DEAERO COC[C@@H](O)C[NH2+][C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000634725297 406248772 /nfs/dbraw/zinc/24/87/72/406248772.db2.gz NLZOCWQIVLASFW-MSOLQXFVSA-N 1 0 306.450 2.028 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000634726015 406248899 /nfs/dbraw/zinc/24/88/99/406248899.db2.gz JLAHBWXHZLUULA-NSHDSACASA-N 1 0 316.243 2.213 10 0 DEAERO CC(=O)c1ccc(CC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000634756872 406268201 /nfs/dbraw/zinc/26/82/01/406268201.db2.gz GKJQCWQTCSCWFU-MRXNPFEDSA-N 1 0 302.418 2.326 10 0 DEAERO COC[C@H](O)C[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000536642478 406271972 /nfs/dbraw/zinc/27/19/72/406271972.db2.gz HUDZPAVBGCJWBH-MRXNPFEDSA-N 1 0 305.418 2.205 10 0 DEAERO C[NH+](C)CCOCCNC(=O)c1cc(Cl)sc1Cl ZINC000537545542 406292851 /nfs/dbraw/zinc/29/28/51/406292851.db2.gz AIAHISFAOPEJIG-UHFFFAOYSA-N 1 0 311.234 2.363 10 0 DEAERO c1cc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)nc(N2CCCCC2)n1 ZINC000634812713 406296262 /nfs/dbraw/zinc/29/62/62/406296262.db2.gz PNTKXLINXVFNOL-CABCVRRESA-N 1 0 301.438 2.045 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000545859404 406329309 /nfs/dbraw/zinc/32/93/09/406329309.db2.gz WYCAJDRVEUUHME-AWEZNQCLSA-N 1 0 309.454 2.284 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCC[C@@H]2CCO[C@H](C)C2)CC1 ZINC000546566037 406362915 /nfs/dbraw/zinc/36/29/15/406362915.db2.gz JNLSJEWYKVFJGG-HZPDHXFCSA-N 1 0 309.454 2.143 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000545858487 406329754 /nfs/dbraw/zinc/32/97/54/406329754.db2.gz UVLOYXFXXVMCEE-HNNXBMFYSA-N 1 0 319.453 2.476 10 0 DEAERO CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C)c1ccc(F)cc1 ZINC000488797544 406348773 /nfs/dbraw/zinc/34/87/73/406348773.db2.gz HZHCUAUZCQYXQF-JOQOYGCGSA-N 1 0 322.424 2.342 10 0 DEAERO Brc1cccc(OCCNCC23CC(C2)C[NH2+]3)c1 ZINC000634995559 406390395 /nfs/dbraw/zinc/39/03/95/406390395.db2.gz IGGWJTFWFFHSLG-UHFFFAOYSA-N 1 0 311.223 2.170 10 0 DEAERO Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000523126029 406418763 /nfs/dbraw/zinc/41/87/63/406418763.db2.gz WOMGPMLJVTUTEM-KZNAEPCWSA-N 1 0 319.445 2.341 10 0 DEAERO C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000523451756 406426100 /nfs/dbraw/zinc/42/61/00/406426100.db2.gz QOXDPXAQFVKRRH-KBMXLJTQSA-N 1 0 323.408 2.301 10 0 DEAERO Cc1ccc(CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000637875598 406458073 /nfs/dbraw/zinc/45/80/73/406458073.db2.gz LKUZUCZNADFOPJ-GOSISDBHSA-N 1 0 311.429 2.071 10 0 DEAERO C[C@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)c1cccnc1 ZINC000638083873 406561563 /nfs/dbraw/zinc/56/15/63/406561563.db2.gz OOCSYPUOYWGTID-GRDNDAEWSA-N 1 0 313.401 2.191 10 0 DEAERO C[C@@H]1CCCN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637986935 406509948 /nfs/dbraw/zinc/50/99/48/406509948.db2.gz MTKNDCXGKDBVKY-MRXNPFEDSA-N 1 0 315.461 2.381 10 0 DEAERO C[C@@H](NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000637990000 406513134 /nfs/dbraw/zinc/51/31/34/406513134.db2.gz CPMCTOWDFFOGTR-RHSMWYFYSA-N 1 0 303.450 2.141 10 0 DEAERO CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638002290 406518095 /nfs/dbraw/zinc/51/80/95/406518095.db2.gz CRTHHPYPZCKSHL-UXLLHSPISA-N 1 0 305.466 2.387 10 0 DEAERO Cc1nc2ccccc2n1CCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000548452627 406518210 /nfs/dbraw/zinc/51/82/10/406518210.db2.gz RQNBWNPREYUFAS-CQSZACIVSA-N 1 0 314.433 2.193 10 0 DEAERO c1c(C[N@@H+]2CCC3(C2)CCCCC3)nnn1C[C@@H]1CCOC1 ZINC000638119881 406581069 /nfs/dbraw/zinc/58/10/69/406581069.db2.gz WKSHTWQEGBZNAN-HNNXBMFYSA-N 1 0 304.438 2.471 10 0 DEAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000552254107 406699384 /nfs/dbraw/zinc/69/93/84/406699384.db2.gz MHIKUCADSPTKAX-BPQIPLTHSA-N 1 0 323.408 2.172 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@@H](CCF)C1 ZINC000638420924 406762438 /nfs/dbraw/zinc/76/24/38/406762438.db2.gz WKNXTOQJYBBGJV-DLBZAZTESA-N 1 0 321.440 2.044 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000638370499 406730509 /nfs/dbraw/zinc/73/05/09/406730509.db2.gz KVFCIMKACVHDLO-BZSNNMDCSA-N 1 0 315.461 2.237 10 0 DEAERO C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N(C)C ZINC000554581576 406815017 /nfs/dbraw/zinc/81/50/17/406815017.db2.gz RQNWKSMKMCMYRH-NRSFXHEJSA-N 1 0 315.461 2.248 10 0 DEAERO CC(C)n1cncc1C[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000643645228 407021566 /nfs/dbraw/zinc/02/15/66/407021566.db2.gz LSBMRSBDEGEEOK-XJKSGUPXSA-N 1 0 303.410 2.065 10 0 DEAERO C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000176307820 287148674 /nfs/dbraw/zinc/14/86/74/287148674.db2.gz VZTMZTUKOFYDFL-LORHWOILSA-N 1 0 316.445 2.236 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCC(=O)N(CC)CC ZINC000175012245 287219475 /nfs/dbraw/zinc/21/94/75/287219475.db2.gz WTFAGGYPHZLFAJ-HZPDHXFCSA-N 1 0 323.481 2.110 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(F)c1 ZINC000129306207 196037119 /nfs/dbraw/zinc/03/71/19/196037119.db2.gz NVUYASDSOAANTF-OAHLLOKOSA-N 1 0 321.396 2.001 10 0 DEAERO C[C@]1(CNc2ccc(S(=O)(=O)C(F)F)cc2)CCC[NH2+]C1 ZINC000129347352 196041066 /nfs/dbraw/zinc/04/10/66/196041066.db2.gz NDUDCYXQFDBZHK-AWEZNQCLSA-N 1 0 318.389 2.485 10 0 DEAERO CCN(CC)c1ncc(C[NH2+]CC[C@H](C)[S@](C)=O)s1 ZINC000129399270 196044673 /nfs/dbraw/zinc/04/46/73/196044673.db2.gz MZEBODCLPCSDEG-JEOXALJRSA-N 1 0 303.497 2.236 10 0 DEAERO CC(C)[NH2+]Cc1c(Cl)cccc1OCCS(C)(=O)=O ZINC000129397266 196044792 /nfs/dbraw/zinc/04/47/92/196044792.db2.gz GFRAXKCNZJJFJF-UHFFFAOYSA-N 1 0 305.827 2.261 10 0 DEAERO [NH3+][C@H](C(=O)Nc1ccncc1Br)c1ccccc1 ZINC000129479088 196051033 /nfs/dbraw/zinc/05/10/33/196051033.db2.gz FBBSAGWKYVEFQV-LBPRGKRZSA-N 1 0 306.163 2.483 10 0 DEAERO CC(C)[NH2+]CCC(C)(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129479870 196051646 /nfs/dbraw/zinc/05/16/46/196051646.db2.gz KEDOOQLWKSYCNR-AWEZNQCLSA-N 1 0 304.500 2.462 10 0 DEAERO COc1ccc(Oc2nnccc2C[NH3+])c(Br)c1 ZINC000129493752 196053332 /nfs/dbraw/zinc/05/33/32/196053332.db2.gz KGTPDHGSUKHJKM-UHFFFAOYSA-N 1 0 310.151 2.499 10 0 DEAERO O=S1(=O)CC[C@H](C[NH2+][C@@H]2CCc3sc(Cl)cc32)C1 ZINC000129595191 196060782 /nfs/dbraw/zinc/06/07/82/196060782.db2.gz SQPNIPBJEZZGPX-PSASIEDQSA-N 1 0 305.852 2.413 10 0 DEAERO O=S1(=O)CC[C@H](C[NH2+][C@H]2CCc3sc(Cl)cc32)C1 ZINC000129595013 196060795 /nfs/dbraw/zinc/06/07/95/196060795.db2.gz SQPNIPBJEZZGPX-SCZZXKLOSA-N 1 0 305.852 2.413 10 0 DEAERO C[C@@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000129624657 196063049 /nfs/dbraw/zinc/06/30/49/196063049.db2.gz DLZFRRRBYITZDB-SNVBAGLBSA-N 1 0 315.870 2.263 10 0 DEAERO C[C@H](CC(=O)N[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000129703656 196069129 /nfs/dbraw/zinc/06/91/29/196069129.db2.gz ZQGAFCDGFRZZJQ-ZWNOBZJWSA-N 1 0 311.223 2.421 10 0 DEAERO C[NH2+]C1(C)CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000129878691 196082801 /nfs/dbraw/zinc/08/28/01/196082801.db2.gz XLMADLIHKVPHRE-UHFFFAOYSA-N 1 0 302.465 2.128 10 0 DEAERO CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H](C)CC[S@](C)=O ZINC000129875988 196082955 /nfs/dbraw/zinc/08/29/55/196082955.db2.gz MDVHHUZSSYMNBD-XCGRYBKZSA-N 1 0 300.512 2.242 10 0 DEAERO O=C1C[C@@H]([NH2+]CCCCC(F)(F)F)C(=O)N1C1CCCC1 ZINC000130550238 196089270 /nfs/dbraw/zinc/08/92/70/196089270.db2.gz YXDABZUQBCMBEH-LLVKDONJSA-N 1 0 306.328 2.379 10 0 DEAERO O[C@H](C[NH2+]CCCC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000130581180 196092567 /nfs/dbraw/zinc/09/25/67/196092567.db2.gz ATBNLLIPVJZFQC-LLVKDONJSA-N 1 0 305.296 2.423 10 0 DEAERO CC[NH2+]C[C@@H]1COCCN1Cc1ccc(Br)s1 ZINC000130824418 196113583 /nfs/dbraw/zinc/11/35/83/196113583.db2.gz QBPLXNXZDSBLER-SNVBAGLBSA-N 1 0 319.268 2.321 10 0 DEAERO CCCn1ncnc1C[C@@H]([NH2+]C)c1ccc(Br)cn1 ZINC000130846197 196114792 /nfs/dbraw/zinc/11/47/92/196114792.db2.gz CSFKCXDGFIDCSW-GFCCVEGCSA-N 1 0 324.226 2.349 10 0 DEAERO [NH3+]Cc1ccc(C[S@](=O)c2ccc3c(c2)OCCCO3)o1 ZINC000131060538 196137023 /nfs/dbraw/zinc/13/70/23/196137023.db2.gz AUSOGVWVWJVLAS-OAQYLSRUSA-N 1 0 307.371 2.207 10 0 DEAERO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(Br)cc1O ZINC000131100473 196140047 /nfs/dbraw/zinc/14/00/47/196140047.db2.gz ZMOKSSADNNNPLK-ZDUSSCGKSA-N 1 0 315.211 2.258 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000131147956 196143428 /nfs/dbraw/zinc/14/34/28/196143428.db2.gz XNTIDCYODGMFQS-ZDUSSCGKSA-N 1 0 304.843 2.300 10 0 DEAERO CC(C)n1cc(Br)cc1C(=O)NC/C=C/C[NH3+] ZINC000131174355 196146627 /nfs/dbraw/zinc/14/66/27/196146627.db2.gz AETZRXBIYANIMR-ONEGZZNKSA-N 1 0 300.200 2.076 10 0 DEAERO CNc1ncc(Br)c(N[C@H](C)CC[NH+](C)C)n1 ZINC000131210608 196150336 /nfs/dbraw/zinc/15/03/36/196150336.db2.gz YINZVUVEWSOPDK-MRVPVSSYSA-N 1 0 302.220 2.033 10 0 DEAERO CCc1nsc(S[C@@H]2CC3(CC[C@@H]2[NH2+]C)OCCO3)n1 ZINC000131242851 196153124 /nfs/dbraw/zinc/15/31/24/196153124.db2.gz XIUWYNBZYSTDEP-VHSXEESVSA-N 1 0 315.464 2.076 10 0 DEAERO CCN(CC)c1nc(N)[nH+]c(NCCCCC(F)(F)F)n1 ZINC000131269513 196156124 /nfs/dbraw/zinc/15/61/24/196156124.db2.gz CTEUFAAJTHZCRN-UHFFFAOYSA-N 1 0 306.336 2.445 10 0 DEAERO O[C@@H](C[C@H]1COCC[NH2+]1)c1ccc(Br)cc1F ZINC000131404192 196165943 /nfs/dbraw/zinc/16/59/43/196165943.db2.gz CZVPFGZMDSQGTB-CABZTGNLSA-N 1 0 304.159 2.000 10 0 DEAERO CCc1nn(CCCOCC(F)(F)F)c(CC)c1CC[NH3+] ZINC000131425702 196167747 /nfs/dbraw/zinc/16/77/47/196167747.db2.gz SAZRJDLRJRSMHO-UHFFFAOYSA-N 1 0 307.360 2.478 10 0 DEAERO O[C@H](C[NH2+][C@@H]1CCOC1)COc1c(Cl)cccc1Cl ZINC000131466721 196171311 /nfs/dbraw/zinc/17/13/11/196171311.db2.gz FVNCWMJHFAKWAX-NXEZZACHSA-N 1 0 306.189 2.112 10 0 DEAERO CCCn1ncc(Br)c1C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000131526941 196176775 /nfs/dbraw/zinc/17/67/75/196176775.db2.gz SEATXCYUEUCHNK-HWYHXSKPSA-N 1 0 314.227 2.158 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(Br)cc1O ZINC000131588839 196182743 /nfs/dbraw/zinc/18/27/43/196182743.db2.gz WWFZJPUKZQKQGL-WCBMZHEXSA-N 1 0 313.195 2.107 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2F)C[C@@H]1C ZINC000131754050 196196866 /nfs/dbraw/zinc/19/68/66/196196866.db2.gz MQITZGFTDQHBDI-ZJUUUORDSA-N 1 0 318.389 2.090 10 0 DEAERO C[NH2+]Cc1sccc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000131777223 196198483 /nfs/dbraw/zinc/19/84/83/196198483.db2.gz FRJHOZFOHHWKON-MNOVXSKESA-N 1 0 302.465 2.134 10 0 DEAERO COC[C@H](C)[C@@H](C[NH3+])N1CCN(c2ccccc2Cl)CC1 ZINC000131934116 196211631 /nfs/dbraw/zinc/21/16/31/196211631.db2.gz RHHCSIVPUFLUDM-XJKSGUPXSA-N 1 0 311.857 2.072 10 0 DEAERO COC[C@@H](C)[C@H](C[NH3+])N(C)Cc1cccc(Br)c1 ZINC000131958542 196213497 /nfs/dbraw/zinc/21/34/97/196213497.db2.gz FHNWKSMDWXJNEI-RISCZKNCSA-N 1 0 315.255 2.491 10 0 DEAERO CNc1ncc(Br)c(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000131952874 196213822 /nfs/dbraw/zinc/21/38/22/196213822.db2.gz GHGFHWZIOBCDGJ-SECBINFHSA-N 1 0 314.231 2.035 10 0 DEAERO [NH3+]C1(C(=O)Nc2nc3ccc(Cl)cc3s2)CCOCC1 ZINC000132058262 196223485 /nfs/dbraw/zinc/22/34/85/196223485.db2.gz BBUJWFHREYKQPA-UHFFFAOYSA-N 1 0 311.794 2.396 10 0 DEAERO COCCCNC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1Cl ZINC000132158608 196231450 /nfs/dbraw/zinc/23/14/50/196231450.db2.gz CQWKZBKWTUJHDA-MNOVXSKESA-N 1 0 314.813 2.280 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000132340609 196247232 /nfs/dbraw/zinc/24/72/32/196247232.db2.gz JHUYAGQUNNHPHP-UULDIIRDSA-N 1 0 314.838 2.310 10 0 DEAERO C[NH2+][C@@H](c1cccc(OC2CC2)c1)[C@@H]1CCCCS1(=O)=O ZINC000132359370 196248924 /nfs/dbraw/zinc/24/89/24/196248924.db2.gz QKDXZBCWJXEZQT-HOTGVXAUSA-N 1 0 309.431 2.456 10 0 DEAERO [NH3+]C1(C(=O)Nc2cc(C(F)(F)F)ccc2F)CCOCC1 ZINC000132254106 196239021 /nfs/dbraw/zinc/23/90/21/196239021.db2.gz KKYNIHPOIIKWRN-UHFFFAOYSA-N 1 0 306.259 2.291 10 0 DEAERO O=C(N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000132326380 196246372 /nfs/dbraw/zinc/24/63/72/196246372.db2.gz CCWZKWOKQFNBOC-IJLUTSLNSA-N 1 0 308.344 2.135 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000132460111 196258018 /nfs/dbraw/zinc/25/80/18/196258018.db2.gz VPQIRPRXFLMFEB-NXEZZACHSA-N 1 0 322.352 2.154 10 0 DEAERO O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000132581162 196267173 /nfs/dbraw/zinc/26/71/73/196267173.db2.gz WJQHRHRWXPNKGG-JKSUJKDBSA-N 1 0 322.449 2.454 10 0 DEAERO CC[C@H]([NH2+]CCNC(N)=O)c1cccc(Br)c1 ZINC000132744868 196280095 /nfs/dbraw/zinc/28/00/95/196280095.db2.gz UTASHCMCZXGVGP-NSHDSACASA-N 1 0 300.200 2.158 10 0 DEAERO COCc1nc(N(Cc2cccs2)C2CC2)cc(NN)[nH+]1 ZINC000132791402 196284496 /nfs/dbraw/zinc/28/44/96/196284496.db2.gz KCUABRJJLDFCTE-UHFFFAOYSA-N 1 0 305.407 2.139 10 0 DEAERO CC(C)n1ncc(Br)c1[C@]1(O)CCC[C@@H]([NH3+])C1 ZINC000132883016 196292683 /nfs/dbraw/zinc/29/26/83/196292683.db2.gz YWJTYIPDOMBBII-SKDRFNHKSA-N 1 0 302.216 2.315 10 0 DEAERO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000132983082 196302062 /nfs/dbraw/zinc/30/20/62/196302062.db2.gz ZCYPLXGQFWYTQB-OKZBNKHCSA-N 1 0 322.493 2.413 10 0 DEAERO COc1ccc(C[C@H](O)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000133095597 196312148 /nfs/dbraw/zinc/31/21/48/196312148.db2.gz ROXUFQHPCVCGOV-YPMHNXCESA-N 1 0 314.223 2.361 10 0 DEAERO C[C@@]1(C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)CCCC[NH2+]1 ZINC000133145713 196315213 /nfs/dbraw/zinc/31/52/13/196315213.db2.gz GWLUZFJROCDQSX-HNNXBMFYSA-N 1 0 307.781 2.305 10 0 DEAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H](O)COCc1ccccc1Cl ZINC000133185753 196319205 /nfs/dbraw/zinc/31/92/05/196319205.db2.gz DJWCBIURYJHKDG-GUTXKFCHSA-N 1 0 313.825 2.327 10 0 DEAERO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000133203364 196320911 /nfs/dbraw/zinc/32/09/11/196320911.db2.gz SGZQCYDEMRISOJ-SECBINFHSA-N 1 0 324.368 2.148 10 0 DEAERO CC[C@H](CSC)NS(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000133234913 196323959 /nfs/dbraw/zinc/32/39/59/196323959.db2.gz XOTWAXHFWDPDCM-DGCLKSJQSA-N 1 0 316.492 2.387 10 0 DEAERO CC(=O)NC1CCN([C@H](c2ccc(Cl)cc2)[C@@H](C)[NH3+])CC1 ZINC000133750459 196333707 /nfs/dbraw/zinc/33/37/07/196333707.db2.gz BATFFQORAXMLDB-BZNIZROVSA-N 1 0 309.841 2.329 10 0 DEAERO C[C@]1(C(=O)Nc2cccc(Br)c2O)CCC[NH2+]C1 ZINC000133844598 196339750 /nfs/dbraw/zinc/33/97/50/196339750.db2.gz IIDGRALMVYHPCB-ZDUSSCGKSA-N 1 0 313.195 2.483 10 0 DEAERO C[C@H](CC[NH+](C)C)NC(=O)c1cccc(N)c1Br ZINC000134087499 196359494 /nfs/dbraw/zinc/35/94/94/196359494.db2.gz VXJYVGJXIDWAFG-SECBINFHSA-N 1 0 314.227 2.101 10 0 DEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)NCC[S@@](=O)CC)c1 ZINC000134088885 196360003 /nfs/dbraw/zinc/36/00/03/196360003.db2.gz WGCDBDUAWLZNOG-XUSGNXJCSA-N 1 0 311.451 2.247 10 0 DEAERO NC(=O)N1CCC([NH2+]C[C@H](c2cccs2)N2CCCC2)CC1 ZINC000134144085 196365031 /nfs/dbraw/zinc/36/50/31/196365031.db2.gz WECRQMDKWZKODV-CQSZACIVSA-N 1 0 322.478 2.018 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1F)[C@H](C)S(C)(=O)=O ZINC000134214256 196370790 /nfs/dbraw/zinc/37/07/90/196370790.db2.gz JUNGLHZLKAIRTN-ZANVPECISA-N 1 0 307.818 2.433 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1F)CS(C)(=O)=O ZINC000134209100 196371341 /nfs/dbraw/zinc/37/13/41/196371341.db2.gz RBVAIEGLWLEXDE-GFCCVEGCSA-N 1 0 307.818 2.434 10 0 DEAERO [NH3+][C@H](Cc1ccc(Cl)cc1F)[C@@H]1CCCCS1(=O)=O ZINC000134222719 196371969 /nfs/dbraw/zinc/37/19/69/196371969.db2.gz LGYXDICJTJWYQH-OLZOCXBDSA-N 1 0 305.802 2.316 10 0 DEAERO CN(C)C(=O)c1ccc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)[nH]1 ZINC000189237069 225047177 /nfs/dbraw/zinc/04/71/77/225047177.db2.gz ZJCGRHYOSBVDHB-DOMZBBRYSA-N 1 0 307.438 2.257 10 0 DEAERO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000190946763 225099088 /nfs/dbraw/zinc/09/90/88/225099088.db2.gz GUWPXZPCOFEEQC-AWEZNQCLSA-N 1 0 302.340 2.434 10 0 DEAERO c1ccc(-c2noc(CCCN3C[C@H]4CCC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000420349156 229671013 /nfs/dbraw/zinc/67/10/13/229671013.db2.gz NWUZXCUITMRPJU-IYBDPMFKSA-N 1 0 312.417 2.496 10 0 DEAERO NC(=O)c1c[nH+]ccc1N1CCC(Oc2ccc(F)cc2)CC1 ZINC000302024052 230043064 /nfs/dbraw/zinc/04/30/64/230043064.db2.gz JTJHZHMMWGHWBS-UHFFFAOYSA-N 1 0 315.348 2.367 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C)n(-c2ccccc2)n1 ZINC000357911214 424820162 /nfs/dbraw/zinc/82/01/62/424820162.db2.gz GYNIKVXPMFNYFC-MRXNPFEDSA-N 1 0 312.417 2.994 10 0 DEAERO O[C@H](C[NH2+]CC[C@H]1CCCO1)COCc1ccc(Cl)cc1 ZINC000038097151 424808177 /nfs/dbraw/zinc/80/81/77/424808177.db2.gz UNRRHFHIJQJZGM-HZPDHXFCSA-N 1 0 313.825 2.376 10 0 DEAERO O[C@@H](C[NH2+]C[C@H]1CCOC1)COc1c(Cl)cccc1Cl ZINC000038094394 424808516 /nfs/dbraw/zinc/80/85/16/424808516.db2.gz BJEISWPMAFQUNR-MNOVXSKESA-N 1 0 320.216 2.359 10 0 DEAERO Cn1ccnc1CC1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000105875662 424849681 /nfs/dbraw/zinc/84/96/81/424849681.db2.gz GJSGHFAWDIPTFX-UHFFFAOYSA-N 1 0 318.465 2.077 10 0 DEAERO CCN(Cc1cccc(F)c1)C(=O)CN1CCC([NH+](C)C)CC1 ZINC000193807568 424871303 /nfs/dbraw/zinc/87/13/03/424871303.db2.gz RPDSNNXZWCKYQY-UHFFFAOYSA-N 1 0 321.440 2.200 10 0 DEAERO C[NH+](C)C1CCN(CCCOc2ccc3c(c2)OCO3)CC1 ZINC000194732873 424878080 /nfs/dbraw/zinc/87/80/80/424878080.db2.gz YEFLODFZGSHTQL-UHFFFAOYSA-N 1 0 306.406 2.210 10 0 DEAERO c1ccc(-c2ccc(NCC[NH2+]CCC[C@@H]3CCO3)nn2)cc1 ZINC000638861215 424856374 /nfs/dbraw/zinc/85/63/74/424856374.db2.gz PRKSSNDMEMBSGW-MRXNPFEDSA-N 1 0 312.417 2.714 10 0 DEAERO CCC(CC)c1nnc(NC(=O)N2CCC3(CC[NH2+]3)CC2)s1 ZINC000333266783 424920575 /nfs/dbraw/zinc/92/05/75/424920575.db2.gz JRFJQWLBIAKFTQ-UHFFFAOYSA-N 1 0 323.466 2.802 10 0 DEAERO N#Cc1cnnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000396932089 424921212 /nfs/dbraw/zinc/92/12/12/424921212.db2.gz DUJMBJQLMIRURV-AYHJJNSGSA-N 1 0 319.412 2.956 10 0 DEAERO Cc1ccc(S(=O)(=O)NCCC2(C[NH3+])CC2)c(Cl)c1 ZINC000404642182 424927986 /nfs/dbraw/zinc/92/79/86/424927986.db2.gz MIGVPPVIBYRCJK-UHFFFAOYSA-N 1 0 302.827 2.056 10 0 DEAERO [NH3+]CC1(CCNC(=O)Cc2cccc(Br)c2)CC1 ZINC000404708409 424928020 /nfs/dbraw/zinc/92/80/20/424928020.db2.gz ZAORGEUGYTUEJO-UHFFFAOYSA-N 1 0 311.223 2.237 10 0 DEAERO CC[C@H]1CN(C(=O)c2nscc2Br)CC[C@@H]1[NH3+] ZINC000404804753 424929900 /nfs/dbraw/zinc/92/99/00/424929900.db2.gz XDZRCGIDNAVIMY-CBAPKCEASA-N 1 0 318.240 2.105 10 0 DEAERO CCO[C@@H]1CN(Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000405262032 424930493 /nfs/dbraw/zinc/93/04/93/424930493.db2.gz PYOGVDZHCYKXTG-TZMCWYRMSA-N 1 0 313.239 2.245 10 0 DEAERO CCCCCCOCC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373293994 424886672 /nfs/dbraw/zinc/88/66/72/424886672.db2.gz WJLSTIOOALXTSK-UHFFFAOYSA-N 1 0 322.453 2.685 10 0 DEAERO CC[N@H+](C)C[C@H](O)CN[C@@H](C)c1cccc(Br)c1 ZINC000310733491 424894717 /nfs/dbraw/zinc/89/47/17/424894717.db2.gz FOMWXYLMADTYLK-SMDDNHRTSA-N 1 0 315.255 2.412 10 0 DEAERO CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CC=C(C)CC1 ZINC000656857831 425214265 /nfs/dbraw/zinc/21/42/65/425214265.db2.gz WOQNJGFMABMLNL-JKIFEVAISA-N 1 0 302.422 2.311 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)N(C)C3CCC3)cc2)CC1 ZINC000174495488 267499338 /nfs/dbraw/zinc/49/93/38/267499338.db2.gz SKRFXXMLZFQBMB-UHFFFAOYSA-N 1 0 301.434 2.453 10 0 DEAERO COC(=O)c1ccccc1OCC[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000187952939 267667521 /nfs/dbraw/zinc/66/75/21/267667521.db2.gz CFUGXAMBRAKDQL-KDOFPFPSSA-N 1 0 321.417 2.335 10 0 DEAERO CCc1ncc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000333217767 268906756 /nfs/dbraw/zinc/90/67/56/268906756.db2.gz VVKQTJYACFBINX-CQSZACIVSA-N 1 0 303.410 2.035 10 0 DEAERO O=C(NC[C@@H]1CC[NH2+]C1)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000333632291 268966718 /nfs/dbraw/zinc/96/67/18/268966718.db2.gz STWIMWCQKVODLS-BMIGLBTASA-N 1 0 309.360 2.251 10 0 DEAERO CCn1nccc1C1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000333673208 268975088 /nfs/dbraw/zinc/97/50/88/268975088.db2.gz NMIAHGPTUPKIFD-GJZGRUSLSA-N 1 0 319.453 2.062 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC(c2nccs2)CC1 ZINC000333888961 269000754 /nfs/dbraw/zinc/00/07/54/269000754.db2.gz XTXSLGBASMCVSK-CYBMUJFWSA-N 1 0 308.451 2.174 10 0 DEAERO O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000333886610 269000950 /nfs/dbraw/zinc/00/09/50/269000950.db2.gz XIENAJJGUBKJFD-HNNXBMFYSA-N 1 0 321.465 2.406 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(c3cncc(OCC4CCCC4)n3)C[C@H]12 ZINC000333893191 269001611 /nfs/dbraw/zinc/00/16/11/269001611.db2.gz HIZHGRLCKAMNPF-SOUVJXGZSA-N 1 0 302.422 2.219 10 0 DEAERO Brc1cnn(C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000363461693 269063172 /nfs/dbraw/zinc/06/31/72/269063172.db2.gz WSWGBQUETAEGRM-GFCCVEGCSA-N 1 0 300.200 2.071 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000390759546 269097864 /nfs/dbraw/zinc/09/78/64/269097864.db2.gz YRKHMNXDWYXKEC-GDBMZVCRSA-N 1 0 304.434 2.486 10 0 DEAERO CCN1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CC1=O ZINC000391551084 269098697 /nfs/dbraw/zinc/09/86/97/269098697.db2.gz RSPSFIBNXLBHMJ-JTQLQIEISA-N 1 0 315.186 2.299 10 0 DEAERO CC(C)[C@H](CO)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000394045745 269100491 /nfs/dbraw/zinc/10/04/91/269100491.db2.gz JASCVCIDXLBMBV-GJZGRUSLSA-N 1 0 314.470 2.488 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)oc2C)C1 ZINC000396670364 269103506 /nfs/dbraw/zinc/10/35/06/269103506.db2.gz FVAXLISWIUEXIZ-VIFPVBQESA-N 1 0 301.184 2.175 10 0 DEAERO Cc1oc(Br)cc1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000396656766 269103672 /nfs/dbraw/zinc/10/36/72/269103672.db2.gz QOIUVCQCLHMYAJ-SNVBAGLBSA-N 1 0 315.211 2.374 10 0 DEAERO CCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000397317982 269106320 /nfs/dbraw/zinc/10/63/20/269106320.db2.gz LWWPUGDXSAOOHO-WOPDTQHZSA-N 1 0 316.492 2.304 10 0 DEAERO CN(C)c1nccc(N2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)n1 ZINC000361307366 273825332 /nfs/dbraw/zinc/82/53/32/273825332.db2.gz GEVAGRKKQSOJER-IAGOWNOFSA-N 1 0 323.444 2.221 10 0 DEAERO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)C1(OC)CCOCC1)C2 ZINC000453167417 274129575 /nfs/dbraw/zinc/12/95/75/274129575.db2.gz RKLWTKCHUHFVIK-ZFWWWQNUSA-N 1 0 321.417 2.172 10 0 DEAERO C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCCc3n[nH]cc32)([NH+](C)C)C1 ZINC000246655658 274297400 /nfs/dbraw/zinc/29/74/00/274297400.db2.gz VSEGJNJFVUNGOP-GLJUWKHASA-N 1 0 318.465 2.456 10 0 DEAERO C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c2ccccc21 ZINC000262031849 274299470 /nfs/dbraw/zinc/29/94/70/274299470.db2.gz XOPIBFZJXAHWDH-XYPHTWIQSA-N 1 0 324.428 2.264 10 0 DEAERO Cc1cc(C)n2c(CN(CC[NH3+])CCc3ccccc3)cnc2n1 ZINC000262042269 274693192 /nfs/dbraw/zinc/69/31/92/274693192.db2.gz PIPCXDIBHJZDST-UHFFFAOYSA-N 1 0 323.444 2.350 10 0 DEAERO Brc1cccc2c1CC[C@@H]2[NH2+]CCc1nnc[nH]1 ZINC000091377357 275374081 /nfs/dbraw/zinc/37/40/81/275374081.db2.gz SVUVHIHWELQIBP-LBPRGKRZSA-N 1 0 307.195 2.387 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000041604127 276115759 /nfs/dbraw/zinc/11/57/59/276115759.db2.gz DIHCGOZIZILXEF-OAHLLOKOSA-N 1 0 319.449 2.397 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)Cc1cn(C)nc1C)CC(C)C ZINC000448971616 276118833 /nfs/dbraw/zinc/11/88/33/276118833.db2.gz PCTUMAHOVUKFGH-INIZCTEOSA-N 1 0 308.470 2.144 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1C(C)=O ZINC000177709668 276182874 /nfs/dbraw/zinc/18/28/74/276182874.db2.gz OXARKRQFNGAALE-HNNXBMFYSA-N 1 0 317.433 2.244 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151971866 276251065 /nfs/dbraw/zinc/25/10/65/276251065.db2.gz SVAHJVSUSDXUHU-NVXWUHKLSA-N 1 0 311.470 2.055 10 0 DEAERO CCC[C@H](C(=O)NC[C@H](C[C@H](C)O)c1ccccc1)[NH+](C)C ZINC000245754594 276282130 /nfs/dbraw/zinc/28/21/30/276282130.db2.gz HJOVRVSQCPHGIA-BHYGNILZSA-N 1 0 306.450 2.388 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000032073290 276339793 /nfs/dbraw/zinc/33/97/93/276339793.db2.gz GKPKDMYNHHZYFE-LLVKDONJSA-N 1 0 304.843 2.349 10 0 DEAERO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCc3ncnn3C1)CCC2 ZINC000180608044 276692613 /nfs/dbraw/zinc/69/26/13/276692613.db2.gz MLNNSEOPBJTGBV-GHMZBOCLSA-N 1 0 303.435 2.279 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)C1 ZINC000135463156 276873779 /nfs/dbraw/zinc/87/37/79/276873779.db2.gz HBKYRGIFXNRIPQ-ZDUSSCGKSA-N 1 0 303.337 2.257 10 0 DEAERO C[N@@H+]1CCO[C@H]2CN(c3ncc(C(F)(F)F)cc3Cl)C[C@@H]21 ZINC000153118227 277132112 /nfs/dbraw/zinc/13/21/12/277132112.db2.gz XINDXLXIRQUEKH-QWRGUYRKSA-N 1 0 321.730 2.273 10 0 DEAERO COC(=O)[C@]1(C)CCCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000186356426 277143991 /nfs/dbraw/zinc/14/39/91/277143991.db2.gz LHEKJDDLEOFFCG-KRWDZBQOSA-N 1 0 308.397 2.285 10 0 DEAERO CC(C)C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085823284 277341953 /nfs/dbraw/zinc/34/19/53/277341953.db2.gz DDPURRIKWJFNLD-CQSZACIVSA-N 1 0 302.484 2.026 10 0 DEAERO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000066835727 277347656 /nfs/dbraw/zinc/34/76/56/277347656.db2.gz OFFYUUGAXDTQEQ-CYBMUJFWSA-N 1 0 315.369 2.486 10 0 DEAERO CO[C@H]1CCN(Cc2coc(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000262038275 277745030 /nfs/dbraw/zinc/74/50/30/277745030.db2.gz BOKCNIVXLGZUNP-CVEARBPZSA-N 1 0 301.390 2.280 10 0 DEAERO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000183708401 278223067 /nfs/dbraw/zinc/22/30/67/278223067.db2.gz ANNGBUNIQRVHHR-UONOGXRCSA-N 1 0 320.437 2.155 10 0 DEAERO C[C@H]([NH3+])CCC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000248829923 278225338 /nfs/dbraw/zinc/22/53/38/278225338.db2.gz BBABUDVZZDSHGF-NEPJUHHUSA-N 1 0 310.467 2.441 10 0 DEAERO C[C@@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C)[N@H+](C)C1CC1 ZINC000471823021 278273006 /nfs/dbraw/zinc/27/30/06/278273006.db2.gz CKKPXMUUACKDRP-HOSYDEDBSA-N 1 0 307.360 2.451 10 0 DEAERO C[C@H]1CCN(C(=O)c2cncc(Br)c2)[C@H](C[NH3+])C1 ZINC000235612164 278364225 /nfs/dbraw/zinc/36/42/25/278364225.db2.gz FJPGWDWFWKZPQJ-CABZTGNLSA-N 1 0 312.211 2.044 10 0 DEAERO C[C@@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2)[C@@H]1C[NH3+] ZINC000261684337 278485922 /nfs/dbraw/zinc/48/59/22/278485922.db2.gz NBLQIPKZRHBTCE-CZUORRHYSA-N 1 0 322.416 2.379 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000170896337 279124205 /nfs/dbraw/zinc/12/42/05/279124205.db2.gz ZVTROSOTPRFTIW-CVEARBPZSA-N 1 0 321.469 2.243 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000151575724 279128274 /nfs/dbraw/zinc/12/82/74/279128274.db2.gz QGPVCBUCEBXUBM-KLHDSHLOSA-N 1 0 311.470 2.220 10 0 DEAERO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346185 279210519 /nfs/dbraw/zinc/21/05/19/279210519.db2.gz RLPOOSGROQRZRC-OWCLPIDISA-N 1 0 307.482 2.050 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(C)Cc1cccs1 ZINC000175354152 279300695 /nfs/dbraw/zinc/30/06/95/279300695.db2.gz PBAPHMGAMUTJNP-CQSZACIVSA-N 1 0 309.479 2.123 10 0 DEAERO [NH3+][C@H]1Cc2ccccc2N(S(=O)(=O)CCCC(F)(F)F)C1 ZINC000211854743 279691837 /nfs/dbraw/zinc/69/18/37/279691837.db2.gz KFLWOCYETLKYMS-NSHDSACASA-N 1 0 322.352 2.049 10 0 DEAERO CCS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228549823 280031838 /nfs/dbraw/zinc/03/18/38/280031838.db2.gz OFPMCONJTJPBPA-APHBMKBZSA-N 1 0 308.447 2.044 10 0 DEAERO CCS(=O)(=O)c1ccccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252849612 280034582 /nfs/dbraw/zinc/03/45/82/280034582.db2.gz HEFBCEDGXPOJPH-MELADBBJSA-N 1 0 308.447 2.044 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCCC2(C)C)CC[N@@H+]1CCOC ZINC000174976178 280358429 /nfs/dbraw/zinc/35/84/29/280358429.db2.gz YCOUIABGNBFIEF-HUUCEWRRSA-N 1 0 311.470 2.317 10 0 DEAERO CC[C@H]1CN(C(=O)c2ccccc2SC)CC[N@@H+]1C[C@H](C)O ZINC000246900379 288275178 /nfs/dbraw/zinc/27/51/78/288275178.db2.gz PLTRTUGQDMDDOH-KBPBESRZSA-N 1 0 322.474 2.326 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOCC(F)(F)F ZINC000174990666 281188567 /nfs/dbraw/zinc/18/85/67/281188567.db2.gz QBBHKJGLAMHHKR-NWDGAFQWSA-N 1 0 308.344 2.041 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000175005406 288310427 /nfs/dbraw/zinc/31/04/27/288310427.db2.gz YBCBJZKHJHVCKC-UONOGXRCSA-N 1 0 302.374 2.114 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn(C(C)C)c1C ZINC000245640261 288317189 /nfs/dbraw/zinc/31/71/89/288317189.db2.gz YJFPZJOXXUBTQD-GJZGRUSLSA-N 1 0 304.438 2.471 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])s1 ZINC000020182145 281409395 /nfs/dbraw/zinc/40/93/95/281409395.db2.gz ANHHGGPKDHCFGR-NSHDSACASA-N 1 0 302.465 2.203 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)N(C[C@H]2CCOC2)C2CC2)CC1 ZINC000119106921 281712696 /nfs/dbraw/zinc/71/26/96/281712696.db2.gz KOISTCJVSZAWQT-HWOWSKLDSA-N 1 0 323.481 2.317 10 0 DEAERO CN(CCc1ccncc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119127610 281713533 /nfs/dbraw/zinc/71/35/33/281713533.db2.gz RZCRCJNTTNVRMB-UHFFFAOYSA-N 1 0 318.465 2.386 10 0 DEAERO CCC(CC)[C@H](CNc1cncc(OCCO)n1)[NH+]1CCCC1 ZINC000131181398 281957558 /nfs/dbraw/zinc/95/75/58/281957558.db2.gz VHAMCUOCZIZTOM-HNNXBMFYSA-N 1 0 322.453 2.160 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000131834823 281973832 /nfs/dbraw/zinc/97/38/32/281973832.db2.gz FKYRNYDREAULII-UHFFFAOYSA-N 1 0 318.421 2.029 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)N[C@H](C)C[NH+]2CCCCC2)no1 ZINC000442367374 288617064 /nfs/dbraw/zinc/61/70/64/288617064.db2.gz UAFVSLWDXLNGEU-GFCCVEGCSA-N 1 0 323.441 2.041 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCO1 ZINC000245944599 289200180 /nfs/dbraw/zinc/20/01/80/289200180.db2.gz UKKVCIBZAPYFHI-YYIAUSFCSA-N 1 0 308.466 2.382 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000341655831 289325873 /nfs/dbraw/zinc/32/58/73/289325873.db2.gz XREPMWAOTGVTKL-DMRKSPOLSA-N 1 0 323.481 2.194 10 0 DEAERO C[C@H](CC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C)NC(=O)C1CCCCC1 ZINC000155324773 289421217 /nfs/dbraw/zinc/42/12/17/289421217.db2.gz SYDISBTUBPEPIC-ILXRZTDVSA-N 1 0 323.481 2.013 10 0 DEAERO C[N@@H+]1CCN(C(=O)c2cnn3c2CCCC3)C2(CCCCC2)C1 ZINC000127279766 290033256 /nfs/dbraw/zinc/03/32/56/290033256.db2.gz IEYROWQIUFUUAF-UHFFFAOYSA-N 1 0 316.449 2.310 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)C2CCC(O)CC2)[C@H]1c1ccccc1 ZINC000248747201 290132654 /nfs/dbraw/zinc/13/26/54/290132654.db2.gz NOZBTFZSKBFZNQ-BHUNQDJPSA-N 1 0 302.418 2.099 10 0 DEAERO COC[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CC1 ZINC000179207403 293136576 /nfs/dbraw/zinc/13/65/76/293136576.db2.gz USIURASNTJSNGP-IKGGRYGDSA-N 1 0 317.433 2.156 10 0 DEAERO COc1c(Cl)cc(Cl)cc1CNCCC[NH2+]CCO ZINC000013733102 294901554 /nfs/dbraw/zinc/90/15/54/294901554.db2.gz DLYCZRIDBKDVFL-UHFFFAOYSA-N 1 0 307.221 2.064 10 0 DEAERO COc1cccc([C@H](C)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113229612 295323639 /nfs/dbraw/zinc/32/36/39/295323639.db2.gz PWLFSRKDAPYRPI-OFQRWUPVSA-N 1 0 302.418 2.494 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)N(CC[NH3+])CCc2ccccc2)n1 ZINC000261775916 301242034 /nfs/dbraw/zinc/24/20/34/301242034.db2.gz RZJDOMCKGZRENW-INIZCTEOSA-N 1 0 314.433 2.091 10 0 DEAERO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000185644633 302804890 /nfs/dbraw/zinc/80/48/90/302804890.db2.gz QDFURAAJPHMDIZ-SCZZXKLOSA-N 1 0 320.359 2.190 10 0 DEAERO Fc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCc2ncnn2C1 ZINC000182131655 303132554 /nfs/dbraw/zinc/13/25/54/303132554.db2.gz VTLSJDZYSYFNEG-TZMCWYRMSA-N 1 0 302.353 2.236 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)O1 ZINC000261757639 303428947 /nfs/dbraw/zinc/42/89/47/303428947.db2.gz FCOJRRSZJAJSHC-QZWWFDLISA-N 1 0 302.418 2.335 10 0 DEAERO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)cnn1-c1ccccc1C ZINC000170867050 325715918 /nfs/dbraw/zinc/71/59/18/325715918.db2.gz JECKZVFXQZKNGO-HNNXBMFYSA-N 1 0 312.417 2.265 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000567697315 325843702 /nfs/dbraw/zinc/84/37/02/325843702.db2.gz URCOPEFDCOMCLS-JZXOWHBKSA-N 1 0 303.402 2.265 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC000187661516 332980739 /nfs/dbraw/zinc/98/07/39/332980739.db2.gz GOUVLNDIWOGMFV-WMZOPIPTSA-N 1 0 306.450 2.240 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)ccc1OC ZINC000188224468 333039440 /nfs/dbraw/zinc/03/94/40/333039440.db2.gz LRSNRYTXMYQMMH-OLZOCXBDSA-N 1 0 304.390 2.100 10 0 DEAERO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000188287004 333041651 /nfs/dbraw/zinc/04/16/51/333041651.db2.gz IJZVADVTDIYZIY-TZMCWYRMSA-N 1 0 323.400 2.234 10 0 DEAERO COc1ccc2[nH]c(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2c1 ZINC000189229265 333066590 /nfs/dbraw/zinc/06/65/90/333066590.db2.gz BPCZANFAYMEPPI-CQSZACIVSA-N 1 0 313.401 2.487 10 0 DEAERO COC[C@@H](C)C[NH+]1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000189591726 333150845 /nfs/dbraw/zinc/15/08/45/333150845.db2.gz ANCHDBLJBMMACW-AWEZNQCLSA-N 1 0 306.454 2.313 10 0 DEAERO COC[C@@H](C)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000189660865 333219903 /nfs/dbraw/zinc/21/99/03/333219903.db2.gz ROVUIZXJBTVQCK-AWEZNQCLSA-N 1 0 304.434 2.472 10 0 DEAERO COC[C@H](C)CNc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000187587178 333234871 /nfs/dbraw/zinc/23/48/71/333234871.db2.gz ZHGMLYBBCDOEBD-ZBFHGGJFSA-N 1 0 319.449 2.078 10 0 DEAERO CCN(CCC[NH+]1CCCC1)C(=O)NCc1cccc(C)n1 ZINC000190134760 336259429 /nfs/dbraw/zinc/25/94/29/336259429.db2.gz YFEFBKFXVPBVKV-UHFFFAOYSA-N 1 0 304.438 2.407 10 0 DEAERO CCC1([NH2+]Cc2c(Br)cnn2C)CCOCC1 ZINC000389501616 336397032 /nfs/dbraw/zinc/39/70/32/336397032.db2.gz WAYGRIWZOREDKE-UHFFFAOYSA-N 1 0 302.216 2.231 10 0 DEAERO CCn1cc([C@H]2[NH2+]C[C@]23CCN(C(=O)OC(C)(C)C)C3)cn1 ZINC000536957652 337868531 /nfs/dbraw/zinc/86/85/31/337868531.db2.gz CQDICSAWUQDISA-CJNGLKHVSA-N 1 0 306.410 2.175 10 0 DEAERO C[C@H](O)CC(C)(C)C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192590909 341876516 /nfs/dbraw/zinc/87/65/16/341876516.db2.gz FUCUAUCDEVZGON-NSHDSACASA-N 1 0 308.447 2.487 10 0 DEAERO Cn1c2ccc(C[NH2+][C@@H](CO)CC(C)(C)C)cc2sc1=O ZINC000192646463 341878738 /nfs/dbraw/zinc/87/87/38/341878738.db2.gz YWVSVBMROCEXEX-GFCCVEGCSA-N 1 0 308.447 2.487 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nn(C)c(C)c3Cl)[C@H]2C1 ZINC000577853962 341943397 /nfs/dbraw/zinc/94/33/97/341943397.db2.gz KIKWRHOMTABECW-IHRRRGAJSA-N 1 0 324.856 2.119 10 0 DEAERO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000245383018 500895883 /nfs/dbraw/zinc/89/58/83/500895883.db2.gz MQIUNHKRKMEVBI-BBWFWOEESA-N 1 0 307.482 2.336 10 0 DEAERO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000443787566 533827249 /nfs/dbraw/zinc/82/72/49/533827249.db2.gz JIMRMCDNARSVCL-CPUCHLNUSA-N 1 0 300.406 2.249 10 0 DEAERO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000448366775 534095380 /nfs/dbraw/zinc/09/53/80/534095380.db2.gz OAEWJJUWRANSEX-YOEHRIQHSA-N 1 0 300.406 2.393 10 0 DEAERO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000435034431 534208677 /nfs/dbraw/zinc/20/86/77/534208677.db2.gz NEXNOEWKGWVNPT-UGSOOPFHSA-N 1 0 321.417 2.271 10 0 DEAERO COc1ccc(O)cc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000188733882 534211051 /nfs/dbraw/zinc/21/10/51/534211051.db2.gz FMCDBLXUUHLIIZ-UHFFFAOYSA-N 1 0 314.385 2.263 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1C ZINC000247452766 518228563 /nfs/dbraw/zinc/22/85/63/518228563.db2.gz SWIDRTWJXMWAIL-QMTHXVAHSA-N 1 0 305.422 2.293 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)C1(Cc2ccc(F)cc2)CC1 ZINC000438686440 534343505 /nfs/dbraw/zinc/34/35/05/534343505.db2.gz YFTZIOBMNNGBMO-UHFFFAOYSA-N 1 0 313.376 2.194 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](O)c1ccccc1 ZINC000124238121 519721834 /nfs/dbraw/zinc/72/18/34/519721834.db2.gz QHNZKKXUKICOPY-SJORKVTESA-N 1 0 319.449 2.140 10 0 DEAERO CCN(C(=O)C[NH+]1CCC(n2cncn2)CC1)C1CCCCC1 ZINC000156598580 519911435 /nfs/dbraw/zinc/91/14/35/519911435.db2.gz MZFLYCRRHSDONT-UHFFFAOYSA-N 1 0 319.453 2.096 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)[C@]12CCCO2 ZINC000366009229 520367169 /nfs/dbraw/zinc/36/71/69/520367169.db2.gz LIVVYKSLSAEDSQ-BRWVUGGUSA-N 1 0 317.389 2.486 10 0 DEAERO CCOC(=O)C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccccc1C ZINC000246740672 520886469 /nfs/dbraw/zinc/88/64/69/520886469.db2.gz ZBUDPTTZUIOMOS-FMKPAKJESA-N 1 0 318.417 2.233 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)NCCCc1nc(C(C)C)no1 ZINC000104342549 521599436 /nfs/dbraw/zinc/59/94/36/521599436.db2.gz IEOZTSQJLPYGOK-ZDUSSCGKSA-N 1 0 308.426 2.116 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)Cc2ccc(O)cc2)C1 ZINC000249799306 521620996 /nfs/dbraw/zinc/62/09/96/521620996.db2.gz YLDYNTCSGPOCDP-UKRRQHHQSA-N 1 0 305.422 2.107 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc([C@H](C)OC)nc1C ZINC000246537276 521657765 /nfs/dbraw/zinc/65/77/65/521657765.db2.gz XJWCPGGAOLLQED-RYUDHWBXSA-N 1 0 311.451 2.373 10 0 DEAERO CCS(=O)(=O)NCCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000130910993 521673128 /nfs/dbraw/zinc/67/31/28/521673128.db2.gz VFWFHELFPMNKMA-UHFFFAOYSA-N 1 0 314.451 2.354 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)Cc2cc(C)n[nH]2)[C@H](C)C1 ZINC000246577518 521718488 /nfs/dbraw/zinc/71/84/88/521718488.db2.gz ZFKHLWHHPCBGOW-IOASZLSFSA-N 1 0 321.469 2.021 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000246269352 522050732 /nfs/dbraw/zinc/05/07/32/522050732.db2.gz LQZBCXCEQHXQPE-RCBQFDQVSA-N 1 0 315.417 2.105 10 0 DEAERO CCc1nc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cs1 ZINC000107776519 522337894 /nfs/dbraw/zinc/33/78/94/522337894.db2.gz ZEPCMQCTILOGRN-HNNXBMFYSA-N 1 0 317.458 2.495 10 0 DEAERO COC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)C(C)C ZINC000157235258 522751569 /nfs/dbraw/zinc/75/15/69/522751569.db2.gz NCXKSLUVZQXAKU-INMHGKMJSA-N 1 0 321.465 2.456 10 0 DEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000249369287 523495499 /nfs/dbraw/zinc/49/54/99/523495499.db2.gz NCEXGHWGSUCRMA-PBHICJAKSA-N 1 0 305.422 2.202 10 0 DEAERO COc1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000124463722 523889253 /nfs/dbraw/zinc/88/92/53/523889253.db2.gz UNPSMMQOFIZVJS-JSGCOSHPSA-N 1 0 308.397 2.318 10 0 DEAERO COc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1OC ZINC000128481457 524029574 /nfs/dbraw/zinc/02/95/74/524029574.db2.gz WFTNLQXSYMNHJP-HNNXBMFYSA-N 1 0 316.405 2.208 10 0 DEAERO COCCOc1ccccc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128505907 524058091 /nfs/dbraw/zinc/05/80/91/524058091.db2.gz RJBGJGMRGOCDCK-OAHLLOKOSA-N 1 0 315.417 2.435 10 0 DEAERO C[C@H](CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)C[NH+]1CCCC1 ZINC000247986863 524407004 /nfs/dbraw/zinc/40/70/04/524407004.db2.gz IWOMSPRAWXASMA-SOLBZPMBSA-N 1 0 323.481 2.055 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCOc1ccccc1 ZINC000113584585 524685216 /nfs/dbraw/zinc/68/52/16/524685216.db2.gz UIRXHTZDDUQABN-JKSUJKDBSA-N 1 0 317.433 2.334 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000249202729 524932895 /nfs/dbraw/zinc/93/28/95/524932895.db2.gz UJNKAELITDNNTH-HIFRSBDPSA-N 1 0 320.437 2.133 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC2(C)COC2)C1 ZINC000112716910 525208414 /nfs/dbraw/zinc/20/84/14/525208414.db2.gz LSVNSDOQOHSBQO-HUUCEWRRSA-N 1 0 311.470 2.080 10 0 DEAERO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@H](C)CO ZINC000247010438 525291634 /nfs/dbraw/zinc/29/16/34/525291634.db2.gz ZDDPIYUCBBNAKK-FMKPAKJESA-N 1 0 322.424 2.171 10 0 DEAERO Cc1ccc(OCCCC[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000161523506 525409343 /nfs/dbraw/zinc/40/93/43/525409343.db2.gz ZITUAJYBMOVDDC-UHFFFAOYSA-N 1 0 305.422 2.287 10 0 DEAERO CC(=O)c1ccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)nc1 ZINC000347325639 534864967 /nfs/dbraw/zinc/86/49/67/534864967.db2.gz HIYTVDHWQHUDCK-LBPRGKRZSA-N 1 0 304.394 2.280 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@H+](C[C@@H](O)COC(C)C)CC2 ZINC000374365053 534882408 /nfs/dbraw/zinc/88/24/08/534882408.db2.gz JBFMWNYDQYKWCG-GOSISDBHSA-N 1 0 305.418 2.076 10 0 DEAERO COc1cccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1OC ZINC000247333219 525827028 /nfs/dbraw/zinc/82/70/28/525827028.db2.gz NBPWZRCCHDIANW-GXTWGEPZSA-N 1 0 306.406 2.162 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261839432 534892627 /nfs/dbraw/zinc/89/26/27/534892627.db2.gz IQBSRQOXPYOZKF-IIDMSEBBSA-N 1 0 316.401 2.360 10 0 DEAERO [NH3+]C[C@H]1CCCN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000238054729 527234281 /nfs/dbraw/zinc/23/42/81/527234281.db2.gz CILXNHRLPTYRSS-CQSZACIVSA-N 1 0 304.781 2.089 10 0 DEAERO CC(C)C(C)(C)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000189294438 527571706 /nfs/dbraw/zinc/57/17/06/527571706.db2.gz KXJMBJFAUNOZCG-UHFFFAOYSA-N 1 0 318.465 2.245 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@H](OC)C[C@H]2C)CC1 ZINC000441173080 528963519 /nfs/dbraw/zinc/96/35/19/528963519.db2.gz HSPMSZWCZWQTNH-ZBFHGGJFSA-N 1 0 311.470 2.317 10 0 DEAERO 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O=C(/C=C\c1ccc(Cl)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000255338841 624183301 /nfs/dbraw/zinc/18/33/01/624183301.db2.gz XWQFBYYKUVUPSF-HWYHOQROSA-N 1 0 322.836 2.316 10 0 DEAERO C#CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CCCCC1 ZINC000065960081 625915619 /nfs/dbraw/zinc/91/56/19/625915619.db2.gz MOZSJCAQPCYYAH-QZTJIDSGSA-N 1 0 318.461 2.424 10 0 DEAERO [NH3+]C[C@H]1CN(Cc2cccc(F)c2Br)CCCO1 ZINC000313361553 633521317 /nfs/dbraw/zinc/52/13/17/633521317.db2.gz UTJBYYFLNDTXCF-NSHDSACASA-N 1 0 317.202 2.138 10 0 DEAERO Cc1cc(NC(=O)NCCNc2cc[nH+]cc2)ccc1N(C)C ZINC000735861593 633548943 /nfs/dbraw/zinc/54/89/43/633548943.db2.gz IVUUEOKMSOGMEA-UHFFFAOYSA-N 1 0 313.405 2.112 10 0 DEAERO CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2cc[nH]c2C)C1 ZINC000888103033 635567743 /nfs/dbraw/zinc/56/77/43/635567743.db2.gz ARINZAYEBYSXCA-OCCSQVGLSA-N 1 0 302.378 2.265 10 0 DEAERO COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@H](C)CN2CCOCC2)c1 ZINC000248465105 636204515 /nfs/dbraw/zinc/20/45/15/636204515.db2.gz 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637996917 /nfs/dbraw/zinc/99/69/17/637996917.db2.gz QFUCXPOOSLOFHC-SMDDNHRTSA-N 1 0 320.418 2.252 10 0 DEAERO Cc1ccc2c(C[N@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)cc(=O)oc2c1 ZINC000104076058 650386421 /nfs/dbraw/zinc/38/64/21/650386421.db2.gz DSKOIXQKRVNSDA-STQMWFEESA-N 1 0 314.385 2.187 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747556849 638450279 /nfs/dbraw/zinc/45/02/79/638450279.db2.gz LDMVSLIOIDHULC-HIFRSBDPSA-N 1 0 307.442 2.487 10 0 DEAERO OCCC1(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000097817996 638497403 /nfs/dbraw/zinc/49/74/03/638497403.db2.gz NLQIIQLRDSKALF-CYBMUJFWSA-N 1 0 303.324 2.491 10 0 DEAERO CCN1C[C@H](C[N@H+](C)C/C=C(/C)C(=O)OC)Oc2ccccc21 ZINC000748810678 638593336 /nfs/dbraw/zinc/59/33/36/638593336.db2.gz ZFSNVZHJIJQRPW-LTBFUDJGSA-N 1 0 318.417 2.325 10 0 DEAERO COC(=O)/C(C)=C\C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000748812794 638593491 /nfs/dbraw/zinc/59/34/91/638593491.db2.gz HQRAYKNLEIGJNN-FXCXASGTSA-N 1 0 300.402 2.174 10 0 DEAERO 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ZINC000725104929 777586334 /nfs/dbraw/zinc/58/63/34/777586334.db2.gz MIXROPHUJQTZSB-ZWKOTPCHSA-N 1 0 307.434 2.095 10 0 DEAERO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)csc1C ZINC000725114473 777587314 /nfs/dbraw/zinc/58/73/14/777587314.db2.gz PKYIVOKGNSVZQI-LBPRGKRZSA-N 1 0 302.465 2.128 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000725113429 777587323 /nfs/dbraw/zinc/58/73/23/777587323.db2.gz LFECCDSTKZRJJG-CMPLNLGQSA-N 1 0 302.465 2.113 10 0 DEAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCS2(=O)=O)CCO1 ZINC000721592264 777601425 /nfs/dbraw/zinc/60/14/25/777601425.db2.gz GFXUXTNDIXDUQF-MJBXVCDLSA-N 1 0 303.468 2.137 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2ccc(Br)s2)C1 ZINC000718426977 777606277 /nfs/dbraw/zinc/60/62/77/777606277.db2.gz ZQJQESBKNQDION-UHFFFAOYSA-N 1 0 303.225 2.254 10 0 DEAERO CCS(=O)(=O)C1(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000721614613 777796616 /nfs/dbraw/zinc/79/66/16/777796616.db2.gz PRAITYKYVJGVTB-STQMWFEESA-N 1 0 303.468 2.137 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397821944 778401860 /nfs/dbraw/zinc/40/18/60/778401860.db2.gz KESCXFXWATZECL-QJPTWQEYSA-N 1 0 316.442 2.275 10 0 DEAERO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CCO1 ZINC000722499949 778742538 /nfs/dbraw/zinc/74/25/38/778742538.db2.gz FNDSVEKQZKTDPU-MJBXVCDLSA-N 1 0 314.426 2.331 10 0 DEAERO COCc1ccc(C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)cc1 ZINC000722502500 778744655 /nfs/dbraw/zinc/74/46/55/778744655.db2.gz MJMCAAUMOYJENB-OAHLLOKOSA-N 1 0 322.405 2.474 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C2(C)C)c1C ZINC000722563713 778783223 /nfs/dbraw/zinc/78/32/23/778783223.db2.gz AXANDGTYBXVSIW-LLVKDONJSA-N 1 0 302.465 2.092 10 0 DEAERO CCn1nccc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000721843852 780253744 /nfs/dbraw/zinc/25/37/44/780253744.db2.gz BVBHSHAIBPRELL-TZMCWYRMSA-N 1 0 308.426 2.248 10 0 DEAERO Cc1c(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cnn1C ZINC000721895185 781584253 /nfs/dbraw/zinc/58/42/53/781584253.db2.gz CNQJWAWSMQEFMO-AWEZNQCLSA-N 1 0 322.453 2.464 10 0 DEAERO CCC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)C1CCCC1 ZINC000721242340 781740430 /nfs/dbraw/zinc/74/04/30/781740430.db2.gz LDKVESFKVRAWIY-HUUCEWRRSA-N 1 0 303.468 2.139 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000439781426 781809199 /nfs/dbraw/zinc/80/91/99/781809199.db2.gz MEWPNUKONKBJAR-ZIAGYGMSSA-N 1 0 319.453 2.179 10 0 DEAERO C[NH+](C)CCCCCCCn1c(=O)[nH]c2ccccc2c1=O ZINC000065278999 784118817 /nfs/dbraw/zinc/11/88/17/784118817.db2.gz PHBFAVNKPPCKHW-UHFFFAOYSA-N 1 0 303.406 2.202 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1c(C)sc(C)c1C ZINC000722564237 787332006 /nfs/dbraw/zinc/33/20/06/787332006.db2.gz CXUVJAHHGFNEAG-LBPRGKRZSA-N 1 0 302.465 2.046 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c1C ZINC000722594014 787335356 /nfs/dbraw/zinc/33/53/56/787335356.db2.gz OQWPELSDEALVNE-UWVGGRQHSA-N 1 0 302.465 2.044 10 0 DEAERO COC[C@]1(C)CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724074654 787348599 /nfs/dbraw/zinc/34/85/99/787348599.db2.gz QJRBRTNELZIKFT-NXEZZACHSA-N 1 0 305.287 2.293 10 0 DEAERO CC(C)(COCc1ccccc1)[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724636804 787352260 /nfs/dbraw/zinc/35/22/60/787352260.db2.gz QCTJXDBGWYEYDU-IXDOHACOSA-N 1 0 305.418 2.375 10 0 DEAERO CC(C)[N@H+](C)CCCNCc1cn(C)nc1Br ZINC000712492590 792190080 /nfs/dbraw/zinc/19/00/80/792190080.db2.gz ZUSSPJFKJGEBTL-UHFFFAOYSA-N 1 0 303.248 2.003 10 0 DEAERO CC1(C)CC[NH2+]CCN1C(=O)c1occc1Br ZINC000712540634 792199485 /nfs/dbraw/zinc/19/94/85/792199485.db2.gz NMYPGLKVAPLDCM-UHFFFAOYSA-N 1 0 301.184 2.256 10 0 DEAERO Cc1cc(NC(=O)[C@@H]2CO[C@@H](C[NH3+])C2)ccc1Br ZINC000713792247 792245006 /nfs/dbraw/zinc/24/50/06/792245006.db2.gz IAZUGVLFXGNZQG-GXSJLCMTSA-N 1 0 313.195 2.060 10 0 DEAERO Cc1c(Br)cccc1NC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713778042 792245624 /nfs/dbraw/zinc/24/56/24/792245624.db2.gz FSKOSSOWAYXJJY-UWVGGRQHSA-N 1 0 313.195 2.060 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H](CO)C2CCC2)C1 ZINC000714243149 792304155 /nfs/dbraw/zinc/30/41/55/792304155.db2.gz OIHBUUMYUJVDEK-HIFRSBDPSA-N 1 0 312.454 2.384 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)Nc2cccc(Br)c2)C1(F)F ZINC000715125080 792384726 /nfs/dbraw/zinc/38/47/26/792384726.db2.gz HTPHBXLTAFWOLV-RKDXNWHRSA-N 1 0 305.122 2.228 10 0 DEAERO C[C@H](NC(=O)c1cc(Cl)c(Cl)n1C)C1CC[NH2+]CC1 ZINC000716630253 792980260 /nfs/dbraw/zinc/98/02/60/792980260.db2.gz XSHRPCOTADUGAL-QMMMGPOBSA-N 1 0 304.221 2.450 10 0 DEAERO [NH3+][C@@H]1CN(C(=O)NCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000717030940 798971938 /nfs/dbraw/zinc/97/19/38/798971938.db2.gz DMHCRDFNFFRTAX-VXGBXAGGSA-N 1 0 301.312 2.108 10 0 DEAERO [NH3+][C@@H]1CN(c2ncnc3sccc32)CC[C@@H]1C(F)(F)F ZINC000717089670 799193874 /nfs/dbraw/zinc/19/38/74/799193874.db2.gz HBPUSCQJCSKCON-DTWKUNHWSA-N 1 0 302.325 2.407 10 0 DEAERO [NH3+][C@@H]1CN(CCOCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000717162823 799257667 /nfs/dbraw/zinc/25/76/67/799257667.db2.gz QXKVYAJQGRWHCA-UONOGXRCSA-N 1 0 302.340 2.415 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCC(C)(C)O)CN(C(=O)OC(C)(C)C)C1 ZINC000401715452 801844974 /nfs/dbraw/zinc/84/49/74/801844974.db2.gz HBRHUGGWJGUFRI-QWHCGFSZSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCN2CCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401719635 801845244 /nfs/dbraw/zinc/84/52/44/801845244.db2.gz MVVJIWABFBIGBD-HUUCEWRRSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)C(C)(C)O ZINC000401778241 801850139 /nfs/dbraw/zinc/85/01/39/801850139.db2.gz OPMJCHBGJKREGH-FRRDWIJNSA-N 1 0 300.443 2.381 10 0 DEAERO Cc1sc(C[NH2+]CC[C@]2(O)CCOC2)cc1Br ZINC000404208515 802009038 /nfs/dbraw/zinc/00/90/38/802009038.db2.gz SLPRCSIPMLZUOL-LBPRGKRZSA-N 1 0 320.252 2.450 10 0 DEAERO C[C@H](CCO)C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405246925 802045393 /nfs/dbraw/zinc/04/53/93/802045393.db2.gz GHCYNYRQLRKLJJ-MCIONIFRSA-N 1 0 312.454 2.430 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCc2cn[nH]c2)C12CCC2 ZINC000405332868 802053269 /nfs/dbraw/zinc/05/32/69/802053269.db2.gz FBTNJENZMIITOZ-UONOGXRCSA-N 1 0 320.437 2.378 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000725077345 1078800092 /nfs/dbraw/zinc/80/00/92/1078800092.db2.gz KWTMNGYSUFINOF-CDMKHQONSA-N 1 0 316.492 2.359 10 0 DEAERO O[C@H](C[NH2+]Cc1cccs1)CN1CCc2ccccc2C1 ZINC000075777466 1080253244 /nfs/dbraw/zinc/25/32/44/1080253244.db2.gz CORGGULURQUENN-MRXNPFEDSA-N 1 0 302.443 2.257 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)CCC(C)(C)C2CC2)C1 ZINC000717936553 1081819338 /nfs/dbraw/zinc/81/93/38/1081819338.db2.gz JKTPIEPCTNJFBC-CHWSQXEVSA-N 1 0 302.484 2.202 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)CCC(C)(C)C2CC2)C1 ZINC000717936560 1081820570 /nfs/dbraw/zinc/82/05/70/1081820570.db2.gz JKTPIEPCTNJFBC-OLZOCXBDSA-N 1 0 302.484 2.202 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717947037 1081844908 /nfs/dbraw/zinc/84/49/08/1081844908.db2.gz UFYULQKZFGBEPE-NVXWUHKLSA-N 1 0 316.445 2.176 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1ccnn1C ZINC000721040610 1085633953 /nfs/dbraw/zinc/63/39/53/1085633953.db2.gz BZDGVWPYXRLBOR-ZIAGYGMSSA-N 1 0 322.453 2.403 10 0 DEAERO Cn1cc(C[NH2+]C[C@H]2COc3ccccc32)c(Br)n1 ZINC000720688078 1085938312 /nfs/dbraw/zinc/93/83/12/1085938312.db2.gz IYVYONIOIGXUKL-NSHDSACASA-N 1 0 322.206 2.448 10 0 DEAERO C[NH2+]CCN(CCS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000720777092 1086130842 /nfs/dbraw/zinc/13/08/42/1086130842.db2.gz ZYOMWHLLEDOJJP-UHFFFAOYSA-N 1 0 318.870 2.044 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Br)o1 ZINC000720818978 1086168975 /nfs/dbraw/zinc/16/89/75/1086168975.db2.gz WSDOVTHUARUOKQ-NXEZZACHSA-N 1 0 313.195 2.351 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ncccc1Br ZINC000720818270 1086169732 /nfs/dbraw/zinc/16/97/32/1086169732.db2.gz UNRZOFUHJCAAJJ-NWDGAFQWSA-N 1 0 324.222 2.153 10 0 DEAERO [NH3+]C1(CNC(=O)/C=C/c2ccc(Br)o2)CCCC1 ZINC000700601990 1086321779 /nfs/dbraw/zinc/32/17/79/1086321779.db2.gz JDCMQOLFNYCURP-GQCTYLIASA-N 1 0 313.195 2.443 10 0 DEAERO C[C@H]([NH3+])c1cn(Cc2ccc(Br)c(F)c2F)nn1 ZINC000700999328 1086346409 /nfs/dbraw/zinc/34/64/09/1086346409.db2.gz GKRQPJQDYDUTJY-LURJTMIESA-N 1 0 317.137 2.387 10 0 DEAERO COC[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)C1CC1 ZINC000701931207 1086394802 /nfs/dbraw/zinc/39/48/02/1086394802.db2.gz MOPGQVXUJBCCOV-KDJCLPLCSA-N 1 0 310.438 2.401 10 0 DEAERO CO[C@@](C)(CO)C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000702515665 1086438177 /nfs/dbraw/zinc/43/81/77/1086438177.db2.gz CBCHRMGLMREUTN-MRXNPFEDSA-N 1 0 318.458 2.009 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCOCCF)CN(C(=O)OC(C)(C)C)C1 ZINC000702654486 1086452649 /nfs/dbraw/zinc/45/26/49/1086452649.db2.gz NVJUJHQFRXKPFP-QWHCGFSZSA-N 1 0 304.406 2.208 10 0 DEAERO COc1ccc([C@@H](C)[NH2+][C@H]2CNOC2)cc1Br ZINC000703361583 1086495675 /nfs/dbraw/zinc/49/56/75/1086495675.db2.gz BUJIEEWSQUQWRX-SCZZXKLOSA-N 1 0 301.184 2.012 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+][C@H]2CCCC23CC3)C1 ZINC000705067892 1086601516 /nfs/dbraw/zinc/60/15/16/1086601516.db2.gz DNCNJTLDYPTITN-GUYCJALGSA-N 1 0 310.438 2.281 10 0 DEAERO COC(CN1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000705662608 1086621982 /nfs/dbraw/zinc/62/19/82/1086621982.db2.gz LSFDWQATQWEMIA-KDURUIRLSA-N 1 0 318.461 2.449 10 0 DEAERO C[NH2+]CCOCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000705913849 1086629293 /nfs/dbraw/zinc/62/92/93/1086629293.db2.gz FHPHBZJXRAHPFW-NSHDSACASA-N 1 0 316.854 2.173 10 0 DEAERO C[NH+]1C[C@@]2(C)CN(c3ncc(Br)cn3)C[C@]2(C)C1 ZINC000706220921 1086633595 /nfs/dbraw/zinc/63/35/95/1086633595.db2.gz XBNDDOXZOMIVBU-STQMWFEESA-N 1 0 311.227 2.017 10 0 DEAERO C[C@H](CC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000709890560 1086685619 /nfs/dbraw/zinc/68/56/19/1086685619.db2.gz UTYFUDRUALAQQL-BWZBUEFSSA-N 1 0 306.250 2.171 10 0 DEAERO CCc1ncncc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000710044031 1086686915 /nfs/dbraw/zinc/68/69/15/1086686915.db2.gz XULJGCXJJYLXNT-HNNXBMFYSA-N 1 0 311.385 2.470 10 0 DEAERO COc1ncccc1C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710917255 1086690518 /nfs/dbraw/zinc/69/05/18/1086690518.db2.gz MAMUTXMCMGUOCM-UHFFFAOYSA-N 1 0 307.394 2.047 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000710908958 1086690751 /nfs/dbraw/zinc/69/07/51/1086690751.db2.gz XUCCUGMXZZARSM-OLZOCXBDSA-N 1 0 314.426 2.127 10 0 DEAERO CC1(C)CC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2)OC1 ZINC000711360581 1087078546 /nfs/dbraw/zinc/07/85/46/1087078546.db2.gz OKMCTYVHDCJCJQ-SJORKVTESA-N 1 0 307.434 2.359 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CC(O)(C2CC2)C2CC2)C1 ZINC000711407802 1087092924 /nfs/dbraw/zinc/09/29/24/1087092924.db2.gz YHTXGEZVLKOXKD-JNSHFYNHSA-N 1 0 324.465 2.430 10 0 DEAERO Cn1nc(Br)cc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711437384 1087105272 /nfs/dbraw/zinc/10/52/72/1087105272.db2.gz KQRIRYVDHAXYGC-LLVKDONJSA-N 1 0 314.227 2.374 10 0 DEAERO Cn1cc(C[NH2+][C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cn1 ZINC000711619342 1087176505 /nfs/dbraw/zinc/17/65/05/1087176505.db2.gz ADXORLGWLCBGCV-PBHICJAKSA-N 1 0 320.437 2.442 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cnc[nH]3)CCC[C@@H]12 ZINC000711623331 1087177586 /nfs/dbraw/zinc/17/75/86/1087177586.db2.gz LFPQGIXHSPHABV-CJNGLKHVSA-N 1 0 306.410 2.431 10 0 DEAERO Brc1c[nH]c(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)n1 ZINC000711838140 1087203129 /nfs/dbraw/zinc/20/31/29/1087203129.db2.gz ZCVYMPCVXWNHJT-GWCFXTLKSA-N 1 0 314.227 2.467 10 0 DEAERO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cncc(Br)c1 ZINC000718387153 1088514002 /nfs/dbraw/zinc/51/40/02/1088514002.db2.gz VNOKUINBYOPARC-QTZUAFFRSA-N 1 0 312.211 2.149 10 0 DEAERO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000719025882 1088765164 /nfs/dbraw/zinc/76/51/64/1088765164.db2.gz UYXIYWBAVWEDNR-HNNXBMFYSA-N 1 0 318.417 2.443 10 0 DEAERO CCOC(=O)C1CCC([NH2+]C[C@]2(OC)CCSC2)CC1 ZINC000719323870 1088953520 /nfs/dbraw/zinc/95/35/20/1088953520.db2.gz LDMOXXZCXGFDCP-SSDMNJCBSA-N 1 0 301.452 2.220 10 0 DEAERO Cc1ccc(C[NH2+]C[C@@H]2CNC(=O)C2)c(C)c1Br ZINC000719630957 1089319375 /nfs/dbraw/zinc/31/93/75/1089319375.db2.gz CSOPMYYIIVPOMD-LLVKDONJSA-N 1 0 311.223 2.292 10 0 DEAERO C[C@](O)(C[NH2+][C@H]1CCO[C@@H]1C1CC1)C(F)(F)C(F)(F)F ZINC000724022787 1143896451 /nfs/dbraw/zinc/89/64/51/1143896451.db2.gz MFHOHIOPIFSUTK-AEJSXWLSSA-N 1 0 303.271 2.092 10 0 DEAERO CCCCS(=O)(=O)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000081767901 192321905 /nfs/dbraw/zinc/32/19/05/192321905.db2.gz FGMQCVVYPYKAJX-OAHLLOKOSA-N 1 0 302.484 2.361 10 0 DEAERO Cc1n[nH]c(C)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000074716073 185012285 /nfs/dbraw/zinc/01/22/85/185012285.db2.gz WJLKDNVRSCZTFP-UHFFFAOYSA-N 1 0 313.405 2.031 10 0 DEAERO CN1CCC(CNC(=O)NCCC2CC2)([NH+]2CCCCC2)CC1 ZINC000074767183 185016767 /nfs/dbraw/zinc/01/67/67/185016767.db2.gz PPYYXKSSVVQVIY-UHFFFAOYSA-N 1 0 322.497 2.036 10 0 DEAERO C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)SCCS(C)(=O)=O ZINC000081768802 192323185 /nfs/dbraw/zinc/32/31/85/192323185.db2.gz RWZRHHNOHZCVQP-JSGCOSHPSA-N 1 0 301.477 2.422 10 0 DEAERO COc1ccccc1[C@H]([NH3+])CSc1nnc(N(C)C)s1 ZINC000081769297 192323505 /nfs/dbraw/zinc/32/35/05/192323505.db2.gz HXUGOVYMODVZHR-SNVBAGLBSA-N 1 0 310.448 2.405 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1Sc1nnnn1C1CC1 ZINC000081867479 192332905 /nfs/dbraw/zinc/33/29/05/192332905.db2.gz LTVWNGOHKDGIMG-KGLIPLIRSA-N 1 0 301.419 2.376 10 0 DEAERO COc1ccc([C@H]([NH3+])CSc2ncnc3[nH]cnc32)cc1 ZINC000081876581 192332983 /nfs/dbraw/zinc/33/29/83/192332983.db2.gz ANDMIFFBTLRIQG-LLVKDONJSA-N 1 0 301.375 2.154 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@@H]1Sc1nnc2n1CCCCC2 ZINC000081865860 192333320 /nfs/dbraw/zinc/33/33/20/192333320.db2.gz FQFKAAFGJGMGJC-STQMWFEESA-N 1 0 310.467 2.254 10 0 DEAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1Sc1n[nH]c(C)n1 ZINC000081890550 192333757 /nfs/dbraw/zinc/33/37/57/192333757.db2.gz XCVGNEDKEDYDIA-ZIAGYGMSSA-N 1 0 304.419 2.489 10 0 DEAERO CC[NH2+][C@H](CSc1n[nH]c(=O)n1C)c1ccc(CC)cc1 ZINC000081882167 192334109 /nfs/dbraw/zinc/33/41/09/192334109.db2.gz MJFKPDOJCWCZOE-CYBMUJFWSA-N 1 0 306.435 2.114 10 0 DEAERO C[NH2+][C@H](CSc1n[nH]c(=O)n1C)c1c(C)cc(C)cc1C ZINC000081880368 192334288 /nfs/dbraw/zinc/33/42/88/192334288.db2.gz YSOIKLKTYKPWBY-GFCCVEGCSA-N 1 0 306.435 2.086 10 0 DEAERO [NH3+][C@@H](CSc1ccncn1)c1ccc2c(c1)OCCCO2 ZINC000081886662 192334748 /nfs/dbraw/zinc/33/47/48/192334748.db2.gz LYABJRQKXKSIED-LBPRGKRZSA-N 1 0 303.387 2.430 10 0 DEAERO CCC(C)(C)[C@H]1CC[C@@H]([NH2+]C)[C@H](Sc2n[nH]c(=O)n2C)C1 ZINC000081880620 192334757 /nfs/dbraw/zinc/33/47/57/192334757.db2.gz NWOKJKLZROGCRT-QJPTWQEYSA-N 1 0 312.483 2.393 10 0 DEAERO CC[NH2+][C@H](CSc1n[nH]c(=O)n1C)c1cc(C)ccc1C ZINC000081880740 192334769 /nfs/dbraw/zinc/33/47/69/192334769.db2.gz MYNXGJGYUNJMJE-CYBMUJFWSA-N 1 0 306.435 2.168 10 0 DEAERO CS[C@@H](C)C[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000162597204 197578013 /nfs/dbraw/zinc/57/80/13/197578013.db2.gz AQHWZRZMARLOPZ-QMMMGPOBSA-N 1 0 315.240 2.333 10 0 DEAERO COc1ccc(S(=O)(=O)C[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000081923123 192339778 /nfs/dbraw/zinc/33/97/78/192339778.db2.gz OYSSRLNDOQJRPY-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO C[NH2+][C@H]1CC[C@H](c2c(Br)cnn2CCOC)C1 ZINC000163100503 197611404 /nfs/dbraw/zinc/61/14/04/197611404.db2.gz CGZZMCIRUUBTSL-UWVGGRQHSA-N 1 0 302.216 2.148 10 0 DEAERO CC[NH2+]C[C@@H](C)Cc1c(Br)cnn1CCOC ZINC000163213915 197616520 /nfs/dbraw/zinc/61/65/20/197616520.db2.gz ZGNKHUDSBUCQHM-JTQLQIEISA-N 1 0 304.232 2.080 10 0 DEAERO COc1ccc(S(=O)(=O)C[C@@H]([NH3+])c2ccccc2C)cc1 ZINC000081923228 192340482 /nfs/dbraw/zinc/34/04/82/192340482.db2.gz SXWXILPHXJEOFH-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO COCCn1ncc(Br)c1[C@@H]1CC[NH2+]C[C@@H]1C ZINC000162975659 197604059 /nfs/dbraw/zinc/60/40/59/197604059.db2.gz QIDYJPOIZSOVFM-VHSXEESVSA-N 1 0 302.216 2.005 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])CCSC)c1Br ZINC000163654589 197643834 /nfs/dbraw/zinc/64/38/34/197643834.db2.gz BHTJJJGWZFRYOU-QMMMGPOBSA-N 1 0 306.273 2.368 10 0 DEAERO C[NH2+][C@H](C)CCCCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935522 192342228 /nfs/dbraw/zinc/34/22/28/192342228.db2.gz OCXXDWPJWLIMQB-GFCCVEGCSA-N 1 0 313.419 2.010 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1S(=O)(=O)c1ccc(Br)cc1 ZINC000081934020 192342544 /nfs/dbraw/zinc/34/25/44/192342544.db2.gz XIXAFHJXBRVKNB-MNOVXSKESA-N 1 0 304.209 2.103 10 0 DEAERO Cc1ncc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C(C)C)n1 ZINC000172622407 282141779 /nfs/dbraw/zinc/14/17/79/282141779.db2.gz ZXEJPKATRHPJLS-OCCSQVGLSA-N 1 0 304.438 2.463 10 0 DEAERO COCCN(CCOC)c1ccc(Cl)cc1C[C@H](C)[NH3+] ZINC000164654453 197660232 /nfs/dbraw/zinc/66/02/32/197660232.db2.gz KGBBZKACDOKNDS-LBPRGKRZSA-N 1 0 300.830 2.329 10 0 DEAERO CCC[C@H]([NH3+])[C@@H](CO)Sc1ncccc1Br ZINC000164659225 197660281 /nfs/dbraw/zinc/66/02/81/197660281.db2.gz IGUJYDOLVSFJQJ-VHSXEESVSA-N 1 0 305.241 2.425 10 0 DEAERO CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1S(=O)(=O)CCOC ZINC000081945093 192345022 /nfs/dbraw/zinc/34/50/22/192345022.db2.gz SPQJGNSEIOLHCZ-KKUMJFAQSA-N 1 0 305.484 2.241 10 0 DEAERO CCS(=O)(=O)c1ccc(NC(=O)CC[C@H](C)CC[NH3+])cc1 ZINC000079117565 185159376 /nfs/dbraw/zinc/15/93/76/185159376.db2.gz SGFDBQHYDMDUHW-LBPRGKRZSA-N 1 0 312.435 2.184 10 0 DEAERO CCCN(CC(=O)OC)C(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079291144 185163526 /nfs/dbraw/zinc/16/35/26/185163526.db2.gz OXOPTRBGKLVCKU-ZDUSSCGKSA-N 1 0 300.443 2.189 10 0 DEAERO C[C@H](CC[NH3+])CCC(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000079190536 185161260 /nfs/dbraw/zinc/16/12/60/185161260.db2.gz VIUDBWUOZHMMPY-JTQLQIEISA-N 1 0 307.419 2.434 10 0 DEAERO COC(=O)C[C@@H](NC(=O)CC[C@H](C)CC[NH3+])c1cccs1 ZINC000079190572 185161263 /nfs/dbraw/zinc/16/12/63/185161263.db2.gz DBVBAYARKKPZQY-NWDGAFQWSA-N 1 0 312.435 2.234 10 0 DEAERO CCC[C@H](CC[NH3+])CCC(=O)N(CCCOC)CCOC ZINC000079238900 185162269 /nfs/dbraw/zinc/16/22/69/185162269.db2.gz LPLYBPLVFLMRQU-HNNXBMFYSA-N 1 0 302.459 2.043 10 0 DEAERO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)NCc1ccco1 ZINC000152920167 282157597 /nfs/dbraw/zinc/15/75/97/282157597.db2.gz DHNHSRXVAGIBNC-MRXNPFEDSA-N 1 0 306.406 2.319 10 0 DEAERO CCC[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000079358297 185166895 /nfs/dbraw/zinc/16/68/95/185166895.db2.gz BHSWKZHEKQXTLQ-GJZGRUSLSA-N 1 0 302.484 2.361 10 0 DEAERO CC(C)COC1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000079391442 185168233 /nfs/dbraw/zinc/16/82/33/185168233.db2.gz NFNKTXHZLSCOAO-HNNXBMFYSA-N 1 0 311.422 2.294 10 0 DEAERO COc1cc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)ccc1F ZINC000153153192 282162565 /nfs/dbraw/zinc/16/25/65/282162565.db2.gz NTFNOGGGCGRCPP-UKRRQHHQSA-N 1 0 310.413 2.332 10 0 DEAERO C[NH2+]CCC(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000262365648 290641141 /nfs/dbraw/zinc/64/11/41/290641141.db2.gz KZNMQZDOPCBNIH-CYBMUJFWSA-N 1 0 309.841 2.155 10 0 DEAERO CC(C)([NH3+])CC(=O)Nc1ccccc1I ZINC000082771680 185202804 /nfs/dbraw/zinc/20/28/04/185202804.db2.gz FCLNQOOBSUPHNX-UHFFFAOYSA-N 1 0 318.158 2.357 10 0 DEAERO CC[C@@H](CC[NH3+])S(=O)(=O)c1cccc(Br)c1 ZINC000082791003 185203797 /nfs/dbraw/zinc/20/37/97/185203797.db2.gz XOYZQFGHJZVVDH-JTQLQIEISA-N 1 0 306.225 2.350 10 0 DEAERO CC(C)[NH2+][C@H](CO)CSc1ncccc1Br ZINC000082905352 185209587 /nfs/dbraw/zinc/20/95/87/185209587.db2.gz XQKGYGYUCDSNQF-SECBINFHSA-N 1 0 305.241 2.295 10 0 DEAERO CC[C@H]1C[NH2+]CCN1c1ccc(I)cc1 ZINC000083086700 185212790 /nfs/dbraw/zinc/21/27/90/185212790.db2.gz WQHVFEKTZOLURS-NSHDSACASA-N 1 0 316.186 2.479 10 0 DEAERO CC[NH+](CC)CCSCc1csc(CC(=O)NC)n1 ZINC000083092780 185213088 /nfs/dbraw/zinc/21/30/88/185213088.db2.gz DMCKQDBPNFDAGT-UHFFFAOYSA-N 1 0 301.481 2.007 10 0 DEAERO COCc1ccc(C[N@H+](CC2CC2)C[C@@H]2CN(C)CCO2)cc1 ZINC000328656738 231292182 /nfs/dbraw/zinc/29/21/82/231292182.db2.gz ZQJAGQPFOHOYME-IBGZPJMESA-N 1 0 318.461 2.376 10 0 DEAERO [NH3+]C[C@@H](c1ccccc1Br)[C@@H](O)C1CCOCC1 ZINC000087381617 185223009 /nfs/dbraw/zinc/22/30/09/185223009.db2.gz ABJFMPRMDSASLK-JSGCOSHPSA-N 1 0 314.223 2.279 10 0 DEAERO CC(C)c1ccc([C@H](C[NH3+])[C@H](O)C(C)(C)S(C)(=O)=O)cc1 ZINC000087381967 185223227 /nfs/dbraw/zinc/22/32/27/185223227.db2.gz SLGCRNQOUJOGAH-GJZGRUSLSA-N 1 0 313.463 2.036 10 0 DEAERO Cc1cc([C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)[nH]n1 ZINC000328704821 231315283 /nfs/dbraw/zinc/31/52/83/231315283.db2.gz YKQOQANOLRQFQT-NVXWUHKLSA-N 1 0 316.449 2.299 10 0 DEAERO CC(C)c1nnsc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000087442888 185225110 /nfs/dbraw/zinc/22/51/10/185225110.db2.gz HRIWDRXUZNFAAA-VXGBXAGGSA-N 1 0 308.451 2.408 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000087455612 185225583 /nfs/dbraw/zinc/22/55/83/185225583.db2.gz GSRVJVRKNGGXCU-NSHDSACASA-N 1 0 304.419 2.265 10 0 DEAERO CC(C)(C)c1nnsc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000087456781 185225808 /nfs/dbraw/zinc/22/58/08/185225808.db2.gz SSYDHJPAAGVALH-VIFPVBQESA-N 1 0 307.423 2.428 10 0 DEAERO CC[C@H](C[NH3+])C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000087519134 185227467 /nfs/dbraw/zinc/22/74/67/185227467.db2.gz HHNMISOSUPIEGY-CMPLNLGQSA-N 1 0 313.239 2.481 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000087519955 185227775 /nfs/dbraw/zinc/22/77/75/185227775.db2.gz LWZBLHVMCPXYNL-SNVBAGLBSA-N 1 0 307.785 2.234 10 0 DEAERO C[C@]([NH3+])(C(=O)NCc1sccc1Br)C1CC1 ZINC000087575720 185228715 /nfs/dbraw/zinc/22/87/15/185228715.db2.gz DYFUEJKBEUQPQJ-LLVKDONJSA-N 1 0 303.225 2.254 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)NCc1sccc1Br ZINC000087575751 185228724 /nfs/dbraw/zinc/22/87/24/185228724.db2.gz KQMJKZLFGUSORV-QMMMGPOBSA-N 1 0 305.241 2.372 10 0 DEAERO [NH3+]CCc1ccc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)s1 ZINC000087778945 185231655 /nfs/dbraw/zinc/23/16/55/185231655.db2.gz UQAOWPPVRVEWIV-YPMHNXCESA-N 1 0 314.476 2.203 10 0 DEAERO Cc1ccc(Oc2cc(NN)[nH+]c(N)n2)c(Br)c1 ZINC000087879195 185234566 /nfs/dbraw/zinc/23/45/66/185234566.db2.gz BOMHMBVYGJKFOQ-UHFFFAOYSA-N 1 0 310.155 2.208 10 0 DEAERO C[C@H]1[C@H](Nc2nc(NN)[nH+]cc2Br)CC[C@@H]1C ZINC000087882943 185234567 /nfs/dbraw/zinc/23/45/67/185234567.db2.gz CHAVLBFMKXQOBH-LKEWCRSYSA-N 1 0 300.204 2.371 10 0 DEAERO C[C@@H](C[NH3+])CS(=O)(=O)Cc1cc(Br)cs1 ZINC000088090205 185239535 /nfs/dbraw/zinc/23/95/35/185239535.db2.gz INYJRJFMVKPHQB-ZETCQYMHSA-N 1 0 312.254 2.020 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@@]1(C[NH3+])Nc1ccc(Cl)cc1 ZINC000087914283 185237295 /nfs/dbraw/zinc/23/72/95/185237295.db2.gz KSFCWLZBWULAKX-STQMWFEESA-N 1 0 302.827 2.047 10 0 DEAERO Cc1ccc(NS(=O)(=O)[C@@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000088056591 185238456 /nfs/dbraw/zinc/23/84/56/185238456.db2.gz FGLHQCRMHFMRNZ-SNVBAGLBSA-N 1 0 308.325 2.117 10 0 DEAERO C[C@H](CC[NH3+])S(=O)(=O)Cc1ccccc1Br ZINC000088088102 185239410 /nfs/dbraw/zinc/23/94/10/185239410.db2.gz XCUJJFYCYUIKHJ-SECBINFHSA-N 1 0 306.225 2.101 10 0 DEAERO COc1ccc(Br)cc1C[C@@H]([NH3+])[C@H]1CCOC1 ZINC000087804413 185232362 /nfs/dbraw/zinc/23/23/62/185232362.db2.gz XLYBFBCDQUSZPJ-JOYOIKCWSA-N 1 0 300.196 2.364 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(OC(F)(F)F)cc1)[C@H]1COCCO1 ZINC000087857549 185233682 /nfs/dbraw/zinc/23/36/82/185233682.db2.gz JJYQTNDCJMYDKT-QWHCGFSZSA-N 1 0 305.296 2.131 10 0 DEAERO NNc1nc(NCc2cc(Br)cs2)cc[nH+]1 ZINC000087880238 185234400 /nfs/dbraw/zinc/23/44/00/185234400.db2.gz KVSFGNCEQLCFIR-UHFFFAOYSA-N 1 0 300.185 2.198 10 0 DEAERO c1ncn(C[C@@H]2CCC[N@H+](Cc3nc4cccnc4s3)C2)n1 ZINC000328898095 231380467 /nfs/dbraw/zinc/38/04/67/231380467.db2.gz WMYSFQTWDPIQNT-GFCCVEGCSA-N 1 0 314.418 2.195 10 0 DEAERO O=C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccc(F)cc1 ZINC000328929027 231390308 /nfs/dbraw/zinc/39/03/08/231390308.db2.gz YGVSQGAIJZBDDE-XJKSGUPXSA-N 1 0 305.353 2.251 10 0 DEAERO O=[S@](Cc1cc(Br)ccc1F)CC1C[NH2+]C1 ZINC000088090804 185239695 /nfs/dbraw/zinc/23/96/95/185239695.db2.gz QUPSJBLEIWLUIQ-MRXNPFEDSA-N 1 0 306.200 2.056 10 0 DEAERO C[C@H](C[NH3+])CS(=O)(=O)Cc1cc(Br)cs1 ZINC000088090206 185239721 /nfs/dbraw/zinc/23/97/21/185239721.db2.gz INYJRJFMVKPHQB-SSDOTTSWSA-N 1 0 312.254 2.020 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)N2CC[NH2+]CC2(C)C)cc1 ZINC000088139283 185240373 /nfs/dbraw/zinc/24/03/73/185240373.db2.gz YCKAHHVYRNZWSB-UHFFFAOYSA-N 1 0 310.463 2.258 10 0 DEAERO CCOC(=O)CN(CC(C)C)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088277257 185244641 /nfs/dbraw/zinc/24/46/41/185244641.db2.gz LCGTWPRAXAOKNR-AWEZNQCLSA-N 1 0 300.443 2.045 10 0 DEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)NCC(C2CC2)C2CC2)cc1 ZINC000088460103 185251618 /nfs/dbraw/zinc/25/16/18/185251618.db2.gz ISQGGEZJTWJFQF-LLVKDONJSA-N 1 0 308.447 2.421 10 0 DEAERO CC[C@@H](C[NH3+])S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000088472146 185252135 /nfs/dbraw/zinc/25/21/35/185252135.db2.gz UKMNLTZYMQYUJQ-JTQLQIEISA-N 1 0 312.313 2.064 10 0 DEAERO O=c1oc2cccnc2n1CC[NH2+]Cc1ccc(Cl)s1 ZINC000088397151 185248341 /nfs/dbraw/zinc/24/83/41/185248341.db2.gz MKUSEOJGECJXTQ-UHFFFAOYSA-N 1 0 309.778 2.494 10 0 DEAERO Nc1ccc(=O)n(CCC[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000088417285 185249200 /nfs/dbraw/zinc/24/92/00/185249200.db2.gz ACKXAWZUJNXOQP-UHFFFAOYSA-N 1 0 303.328 2.095 10 0 DEAERO [NH3+]Cc1cccc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1 ZINC000088419207 185249462 /nfs/dbraw/zinc/24/94/62/185249462.db2.gz PSOALBUXTRULEJ-UHFFFAOYSA-N 1 0 322.352 2.108 10 0 DEAERO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ncccc1Br ZINC000088447078 185251133 /nfs/dbraw/zinc/25/11/33/185251133.db2.gz NMIJIGPOFXBZBJ-LBPRGKRZSA-N 1 0 320.190 2.353 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC(C)C)C(C)C)o1 ZINC000088544406 185256624 /nfs/dbraw/zinc/25/66/24/185256624.db2.gz ILYWKGCJWBSWNN-UHFFFAOYSA-N 1 0 302.440 2.444 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)o1 ZINC000088543449 185256720 /nfs/dbraw/zinc/25/67/20/185256720.db2.gz ZYKRNBXMHUNBKU-LBPRGKRZSA-N 1 0 300.424 2.341 10 0 DEAERO CC[NH2+][C@@H](C)[C@H]1CCCN(S(=O)(=O)c2ccccc2C)C1 ZINC000088714738 185262902 /nfs/dbraw/zinc/26/29/02/185262902.db2.gz GIAVZJXBBYBWIF-GJZGRUSLSA-N 1 0 310.463 2.394 10 0 DEAERO CCn1ncnc1COc1c(Cl)cc(CC[NH3+])cc1OC ZINC000088617307 185259895 /nfs/dbraw/zinc/25/98/95/185259895.db2.gz AWXAOJJSDYZEQI-UHFFFAOYSA-N 1 0 310.785 2.040 10 0 DEAERO Nc1c2cc(F)ccc2sc1C(=O)NCCC[NH2+]C1CC1 ZINC000088641311 185260840 /nfs/dbraw/zinc/26/08/40/185260840.db2.gz JSMPCVMCXIKORW-UHFFFAOYSA-N 1 0 307.394 2.495 10 0 DEAERO C[N@H+](CCNC(=O)c1sc2ccc(F)cc2c1N)C1CC1 ZINC000088643310 185261193 /nfs/dbraw/zinc/26/11/93/185261193.db2.gz WHXVSDFNOIDDGC-UHFFFAOYSA-N 1 0 307.394 2.447 10 0 DEAERO O=C(CCC(F)(F)F)Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC000088832851 185266702 /nfs/dbraw/zinc/26/67/02/185266702.db2.gz JVEZWURQUNWQNF-UHFFFAOYSA-N 1 0 301.312 2.377 10 0 DEAERO COc1cccc([C@@H]([NH3+])CS(=O)(=O)c2ccccc2C)c1 ZINC000081978407 192349284 /nfs/dbraw/zinc/34/92/84/192349284.db2.gz MUMCRYFKPISDFE-HNNXBMFYSA-N 1 0 305.399 2.477 10 0 DEAERO COc1ccc([C@@H]([NH3+])CS(=O)(=O)C2CCCC2)cc1OC ZINC000081988892 192350683 /nfs/dbraw/zinc/35/06/83/192350683.db2.gz WJJLPNOVMGMUGY-ZDUSSCGKSA-N 1 0 313.419 2.061 10 0 DEAERO CC(C)c1ccc([C@H]([NH3+])CS(=O)(=O)C2CCOCC2)cc1 ZINC000081989538 192350821 /nfs/dbraw/zinc/35/08/21/192350821.db2.gz NIQXHUFNIHPQFQ-MRXNPFEDSA-N 1 0 311.447 2.404 10 0 DEAERO CCc1ccc([C@@H](CS(=O)(=O)C2CCOCC2)[NH2+]C)cc1 ZINC000081990525 192351382 /nfs/dbraw/zinc/35/13/82/192351382.db2.gz PRAUOYSEELHHLT-MRXNPFEDSA-N 1 0 311.447 2.103 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc3c(c2)NC(=O)CS3)CCC[C@@H]1[NH3+] ZINC000165965262 197685378 /nfs/dbraw/zinc/68/53/78/197685378.db2.gz LARCWPVHJGREHG-SWLSCSKDSA-N 1 0 305.403 2.187 10 0 DEAERO CC[C@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1ccccc1C ZINC000090218949 185286870 /nfs/dbraw/zinc/28/68/70/185286870.db2.gz GFFULYFOYKDRPK-OAHLLOKOSA-N 1 0 305.422 2.285 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000090293267 185290003 /nfs/dbraw/zinc/29/00/03/185290003.db2.gz CASAQCHVMVDUSR-UHFFFAOYSA-N 1 0 323.245 2.366 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000090311225 185290421 /nfs/dbraw/zinc/29/04/21/185290421.db2.gz GIANQPXBHBLRHD-UTUOFQBUSA-N 1 0 303.189 2.228 10 0 DEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1cc(Cl)cc2c1OCOC2 ZINC000090327913 185291398 /nfs/dbraw/zinc/29/13/98/185291398.db2.gz GPELVEHTXNAMJI-WDBKCZKBSA-N 1 0 308.809 2.246 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Br)o1 ZINC000090336300 185291494 /nfs/dbraw/zinc/29/14/94/185291494.db2.gz UJWZPCNBSBMOLU-BDAKNGLRSA-N 1 0 313.195 2.112 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1Cc1nnc(-c2cccs2)o1 ZINC000090338198 185291989 /nfs/dbraw/zinc/29/19/89/185291989.db2.gz LYZGDGFMZWMVSP-QWRGUYRKSA-N 1 0 304.419 2.228 10 0 DEAERO CCCSc1nsc(NC(=O)CSCC(C)(C)[NH3+])n1 ZINC000090358375 185292300 /nfs/dbraw/zinc/29/23/00/185292300.db2.gz XMZKDYFDMOPAIM-UHFFFAOYSA-N 1 0 320.509 2.449 10 0 DEAERO CCC[NH2+]C[C@]1(CCCS(=O)(=O)CC)CCO[C@H]1C1CC1 ZINC000166270953 197690103 /nfs/dbraw/zinc/69/01/03/197690103.db2.gz ZQIRWXOTWVNKIX-HOTGVXAUSA-N 1 0 317.495 2.386 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000090487259 185298832 /nfs/dbraw/zinc/29/88/32/185298832.db2.gz CTJJZSAWDAWTTC-RYUDHWBXSA-N 1 0 302.296 2.268 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000090487830 185298874 /nfs/dbraw/zinc/29/88/74/185298874.db2.gz ZLNZUXOIHBNWMQ-RYUDHWBXSA-N 1 0 313.195 2.012 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000090487832 185298914 /nfs/dbraw/zinc/29/89/14/185298914.db2.gz ZLNZUXOIHBNWMQ-VXGBXAGGSA-N 1 0 313.195 2.012 10 0 DEAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000090379132 185293407 /nfs/dbraw/zinc/29/34/07/185293407.db2.gz VIFNGSBSLBGZCI-MUWHJKNJSA-N 1 0 308.687 2.271 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1c1nnc2c(Cl)cc(C(F)(F)F)cn21 ZINC000090422876 185295303 /nfs/dbraw/zinc/29/53/03/185295303.db2.gz NSMFZTCINKYEPI-VXNVDRBHSA-N 1 0 320.702 2.103 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000090423586 185295323 /nfs/dbraw/zinc/29/53/23/185295323.db2.gz YPNHTPBCOZIYFH-MWLCHTKSSA-N 1 0 324.178 2.201 10 0 DEAERO C[C@@]1(C(=O)Nc2c3ncsc3ccc2Cl)COC[C@@H]1[NH3+] ZINC000090585547 185305089 /nfs/dbraw/zinc/30/50/89/185305089.db2.gz FYFJPIUUMPLDIJ-TVQRCGJNSA-N 1 0 311.794 2.252 10 0 DEAERO Cc1ccc(Br)cc1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090588843 185305359 /nfs/dbraw/zinc/30/53/59/185305359.db2.gz WTVOATUVHSNKHZ-DGCLKSJQSA-N 1 0 313.195 2.060 10 0 DEAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090590395 185305472 /nfs/dbraw/zinc/30/54/72/185305472.db2.gz PZBWAJLGHVLQKU-FZMZJTMJSA-N 1 0 317.216 2.316 10 0 DEAERO C[C@@]1(C(=O)Nc2cccc(-c3nccs3)c2)COC[C@H]1[NH3+] ZINC000090589997 185305533 /nfs/dbraw/zinc/30/55/33/185305533.db2.gz GNVZRIPFQMFDHV-IUODEOHRSA-N 1 0 303.387 2.112 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000090544853 185302035 /nfs/dbraw/zinc/30/20/35/185302035.db2.gz IOWKCKSYLSOFIY-CABZTGNLSA-N 1 0 302.296 2.057 10 0 DEAERO [NH3+]C[C@H]1CCCC[C@@H]1COc1ncncc1Br ZINC000090782513 185311958 /nfs/dbraw/zinc/31/19/58/185311958.db2.gz MEXIKXJFQZDCFS-NXEZZACHSA-N 1 0 300.200 2.383 10 0 DEAERO C[C@@H](CC[NH3+])[S@](=O)CCOc1ccc(Br)cc1 ZINC000166924114 197701353 /nfs/dbraw/zinc/70/13/53/197701353.db2.gz VGJHXFJPPDEXEY-BTDLBPIBSA-N 1 0 320.252 2.314 10 0 DEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)c1ccc2c(c1)CCO2 ZINC000167538324 197710368 /nfs/dbraw/zinc/71/03/68/197710368.db2.gz XQEMDWYFVOUYQL-OAHLLOKOSA-N 1 0 311.447 2.487 10 0 DEAERO C[NH+](C)CC[C@@H](O)Cc1ccc(I)cc1 ZINC000167825255 197714391 /nfs/dbraw/zinc/71/43/91/197714391.db2.gz KDMDDNURHYKRFN-GFCCVEGCSA-N 1 0 319.186 2.146 10 0 DEAERO CCC[NH2+][C@@H]1C(=O)Nc2cc(SCCO)c(Cl)cc21 ZINC000092770544 185339206 /nfs/dbraw/zinc/33/92/06/185339206.db2.gz UPNNSEFYFQMSSS-LBPRGKRZSA-N 1 0 300.811 2.417 10 0 DEAERO C[NH+](C)[C@H]1CCCN(c2cc3c(cc2Cl)C(=O)C(=O)N3)C1 ZINC000092772769 185339819 /nfs/dbraw/zinc/33/98/19/185339819.db2.gz GADWQVICJGJQRH-VIFPVBQESA-N 1 0 307.781 2.005 10 0 DEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)NCC1C(C)(C)C1(C)C ZINC000092817185 185343802 /nfs/dbraw/zinc/34/38/02/185343802.db2.gz JKJYSPCFKBJSAW-UHFFFAOYSA-N 1 0 310.463 2.414 10 0 DEAERO C[NH2+]Cc1cccc(CS(=O)(=O)NC2C(C)(C)C2(C)C)c1 ZINC000092833301 185344780 /nfs/dbraw/zinc/34/47/80/185344780.db2.gz DBAOPHIBERNHRF-UHFFFAOYSA-N 1 0 310.463 2.260 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](S(=O)(=O)c1ccccc1)C2 ZINC000092859114 185347009 /nfs/dbraw/zinc/34/70/09/185347009.db2.gz UEXANDPBEIDJCQ-JKSUJKDBSA-N 1 0 303.383 2.094 10 0 DEAERO NC(=O)c1csc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000092812889 185343236 /nfs/dbraw/zinc/34/32/36/185343236.db2.gz WVABAKBHCTTYMI-LBPRGKRZSA-N 1 0 316.430 2.176 10 0 DEAERO [NH3+][C@H]1CCCO[C@@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000092888734 185347930 /nfs/dbraw/zinc/34/79/30/185347930.db2.gz APIKHXHQYSTUTI-CMPLNLGQSA-N 1 0 314.179 2.399 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000181433028 199295816 /nfs/dbraw/zinc/29/58/16/199295816.db2.gz QGDJQQSPSQCSCC-LLVKDONJSA-N 1 0 316.405 2.496 10 0 DEAERO Cc1ccc([C@H]2COCCN2C(=O)c2ccc(C[NH3+])cc2)o1 ZINC000186453434 282277284 /nfs/dbraw/zinc/27/72/84/282277284.db2.gz WSLHDKXIHNSWFI-OAHLLOKOSA-N 1 0 300.358 2.260 10 0 DEAERO C[C@H](CN(C)C)[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000168804681 197730203 /nfs/dbraw/zinc/73/02/03/197730203.db2.gz XCUMVXJWDUKMJK-GHMZBOCLSA-N 1 0 321.248 2.273 10 0 DEAERO COCc1cccc(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000188530632 282303863 /nfs/dbraw/zinc/30/38/63/282303863.db2.gz AXYSRRAUCYMWMS-PBHICJAKSA-N 1 0 304.434 2.220 10 0 DEAERO COc1cc(CN2CCCNC(=O)[C@@H]2C)cc(Cl)c1OC ZINC000189087022 282307270 /nfs/dbraw/zinc/30/72/70/282307270.db2.gz MYTDNVIHSQTBIF-JTQLQIEISA-N 1 0 312.797 2.068 10 0 DEAERO C[C@H]1C[C@H]([N@H+](C)CCOCC(F)(F)C(F)F)CCN1C ZINC000189503995 282312096 /nfs/dbraw/zinc/31/20/96/282312096.db2.gz OOEKVSTZIXJJIW-WDEREUQCSA-N 1 0 300.340 2.318 10 0 DEAERO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2cncn2C)C1 ZINC000190470206 282321461 /nfs/dbraw/zinc/32/14/61/282321461.db2.gz JNQOIGMOXYCQEW-CQSZACIVSA-N 1 0 319.478 2.139 10 0 DEAERO C[C@@H](C[NH3+])[C@@H](O)c1cc(Br)c(Br)o1 ZINC000085914299 539402038 /nfs/dbraw/zinc/40/20/38/539402038.db2.gz XTNQGJKLLPORHQ-MHTLYPKNSA-N 1 0 312.989 2.433 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+]Cc1sccc1Br ZINC000087575535 539407452 /nfs/dbraw/zinc/40/74/52/539407452.db2.gz WGARKGOPKSRUPA-SECBINFHSA-N 1 0 308.241 2.386 10 0 DEAERO C[C@@H](NS(=O)(=O)c1ccc(CC[NH3+])cc1)c1ccsc1 ZINC000061368954 190694105 /nfs/dbraw/zinc/69/41/05/190694105.db2.gz JKNGCTJMRBHRDY-LLVKDONJSA-N 1 0 310.444 2.289 10 0 DEAERO OCCC[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CCc2ccccc21 ZINC000181734036 199345889 /nfs/dbraw/zinc/34/58/89/199345889.db2.gz VQVOPOSGCGFCPZ-KBPBESRZSA-N 1 0 303.324 2.282 10 0 DEAERO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cncnc3)CC2)cc1 ZINC000123184019 539464661 /nfs/dbraw/zinc/46/46/61/539464661.db2.gz OWBCKRWEKAGCBF-UHFFFAOYSA-N 1 0 324.428 2.313 10 0 DEAERO C[C@H]1CCC[C@](C[NH3+])(NS(=O)(=O)c2ccc(F)cc2)C1 ZINC000111373859 185589324 /nfs/dbraw/zinc/58/93/24/185589324.db2.gz JVQWPPHJQXQFEK-FZMZJTMJSA-N 1 0 300.399 2.012 10 0 DEAERO Fc1cc2ncc(N3CCC4(CC[NH2+]C4)CC3)nc2cc1F ZINC000420253983 282967567 /nfs/dbraw/zinc/96/75/67/282967567.db2.gz BZNPQTZWBWLARZ-UHFFFAOYSA-N 1 0 304.344 2.488 10 0 DEAERO CC(C)[C@@H]1N(C(=O)NCC2([NH3+])CCCCC2)C[C@@]12CCCO2 ZINC000333794411 282967910 /nfs/dbraw/zinc/96/79/10/282967910.db2.gz GSLGSJSFBHQFDY-YOEHRIQHSA-N 1 0 309.454 2.247 10 0 DEAERO CC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)C2CCCCC2)C1 ZINC000111713774 185628954 /nfs/dbraw/zinc/62/89/54/185628954.db2.gz YMVUIPJLCBRQQQ-UONOGXRCSA-N 1 0 302.484 2.359 10 0 DEAERO C[NH2+][C@H](C)C1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1 ZINC000111714469 185629373 /nfs/dbraw/zinc/62/93/73/185629373.db2.gz ZSVZSARWYWKMAZ-GFCCVEGCSA-N 1 0 314.426 2.143 10 0 DEAERO C[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000111714902 185629579 /nfs/dbraw/zinc/62/95/79/185629579.db2.gz AHCOFQAUFDTOKI-MFKMUULPSA-N 1 0 318.389 2.116 10 0 DEAERO C[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1C ZINC000111715275 185629913 /nfs/dbraw/zinc/62/99/13/185629913.db2.gz VGBAFEZSZWVQMS-TZMCWYRMSA-N 1 0 314.426 2.285 10 0 DEAERO O[C@@H](CN[C@@H]1CCCOc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000181987810 199371545 /nfs/dbraw/zinc/37/15/45/199371545.db2.gz AYQGSKTXQKISEQ-DOTOQJQBSA-N 1 0 322.424 2.476 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)NC[C@]1(C)CCCO1)c1ccccc1 ZINC000153839192 539547240 /nfs/dbraw/zinc/54/72/40/539547240.db2.gz SOUYNRJZKXFAOH-WBVHZDCISA-N 1 0 305.422 2.158 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N1[C@H](C)C[NH2+]C[C@H]1C ZINC000069134102 190801415 /nfs/dbraw/zinc/80/14/15/190801415.db2.gz KJBPHYDHUAYAPM-GHMZBOCLSA-N 1 0 302.827 2.019 10 0 DEAERO C[C@@H]1CCN(C(=O)c2sccc2Br)C[C@H]1[NH3+] ZINC000069718880 190807735 /nfs/dbraw/zinc/80/77/35/190807735.db2.gz HVKPWXHTBRXVOO-VXNVDRBHSA-N 1 0 303.225 2.320 10 0 DEAERO CC(=O)Nc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000181987729 199372017 /nfs/dbraw/zinc/37/20/17/199372017.db2.gz QVFLABPYUKXXRH-KBXCAEBGSA-N 1 0 319.449 2.142 10 0 DEAERO C[C@H]1CCC[C@@H](C[NH3+])N1CC(=O)NCc1ccc(Cl)cc1 ZINC000070156323 190863282 /nfs/dbraw/zinc/86/32/82/190863282.db2.gz PZIZZGFLLLQWIK-WFASDCNBSA-N 1 0 309.841 2.158 10 0 DEAERO C[NH2+]CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C)ccc1C ZINC000070192415 190870527 /nfs/dbraw/zinc/87/05/27/190870527.db2.gz MYUVOMYJOAYINY-HNNXBMFYSA-N 1 0 310.463 2.456 10 0 DEAERO C[C@@H]1CC[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000070180981 190868425 /nfs/dbraw/zinc/86/84/25/190868425.db2.gz GUAWKNZGOAOHPV-NXEZZACHSA-N 1 0 320.817 2.227 10 0 DEAERO COCCN1CC[C@H]([NH3+])[C@@H]1c1cc(Br)ccc1F ZINC000070300229 190878289 /nfs/dbraw/zinc/87/82/89/190878289.db2.gz VINYMBJBUNVXQX-STQMWFEESA-N 1 0 317.202 2.309 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](Nc2ccccn2)C1 ZINC000616612119 362897762 /nfs/dbraw/zinc/89/77/62/362897762.db2.gz NZSOLCPTRCSSOG-CYBMUJFWSA-N 1 0 306.410 2.093 10 0 DEAERO CC(C)(C)OC(=O)NCC[NH+]1CCC(c2ccnnc2)CC1 ZINC000616619842 362898646 /nfs/dbraw/zinc/89/86/46/362898646.db2.gz RRDCEYBQVDEFPO-UHFFFAOYSA-N 1 0 306.410 2.181 10 0 DEAERO CC[NH2+][C@@H](C)[C@@H](O)c1cc2c(c(Br)c1)OCO2 ZINC000070398934 190886933 /nfs/dbraw/zinc/88/69/33/190886933.db2.gz LJUSJFXNCLGHIY-WRWORJQWSA-N 1 0 302.168 2.209 10 0 DEAERO CCOC(=O)[C@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)CC1 ZINC000616628624 362900658 /nfs/dbraw/zinc/90/06/58/362900658.db2.gz OBNUTSXMWMUCGK-ZDUSSCGKSA-N 1 0 314.426 2.176 10 0 DEAERO C[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)[C@@H]1CCCO1 ZINC000183127006 539659575 /nfs/dbraw/zinc/65/95/75/539659575.db2.gz FECXZVPHSQGCSQ-ONGXEEELSA-N 1 0 319.430 2.130 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183226063 539660396 /nfs/dbraw/zinc/66/03/96/539660396.db2.gz SPIBJLYAJNUMLC-BFQNTYOBSA-N 1 0 304.390 2.373 10 0 DEAERO c1cc2cnccc2c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000183358492 539662147 /nfs/dbraw/zinc/66/21/47/539662147.db2.gz JUVPMVBAEYNTRZ-MRXNPFEDSA-N 1 0 311.429 2.389 10 0 DEAERO CN1C(=O)CC[C@H]([NH3+])[C@@H]1c1ccc(F)c(Br)c1 ZINC000070985146 190929143 /nfs/dbraw/zinc/92/91/43/190929143.db2.gz ZWXZSZLWJYXCCT-JQWIXIFHSA-N 1 0 301.159 2.209 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000185956036 539673536 /nfs/dbraw/zinc/67/35/36/539673536.db2.gz MWBSOBWRQKQOHZ-PEQKASONSA-N 1 0 320.477 2.164 10 0 DEAERO O=S1(=O)CC[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)c2ccccc21 ZINC000186167319 539674215 /nfs/dbraw/zinc/67/42/15/539674215.db2.gz IEABJODWVFETAD-HZPDHXFCSA-N 1 0 323.458 2.436 10 0 DEAERO CC[C@@H]1CN(c2ncnc3c(C)csc32)CC[N@@H+]1C[C@@H](C)O ZINC000189979917 539692005 /nfs/dbraw/zinc/69/20/05/539692005.db2.gz MJMFWNKVHRGPKV-CHWSQXEVSA-N 1 0 320.462 2.281 10 0 DEAERO C[C@H](C(=O)NCCC1=CCCCC1)N1CCC([NH+](C)C)CC1 ZINC000193816702 539715228 /nfs/dbraw/zinc/71/52/28/539715228.db2.gz HTGFACCXHBHZKB-OAHLLOKOSA-N 1 0 307.482 2.408 10 0 DEAERO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000193814780 539715524 /nfs/dbraw/zinc/71/55/24/539715524.db2.gz BZCUQIMIJOPAAV-HZPDHXFCSA-N 1 0 317.477 2.321 10 0 DEAERO COCC[NH2+]CCc1ccc(I)cc1 ZINC000083850856 192386434 /nfs/dbraw/zinc/38/64/34/192386434.db2.gz PRFGOMFDHDXOKI-UHFFFAOYSA-N 1 0 305.159 2.070 10 0 DEAERO CC(C)(C)CCS(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000228334052 539731988 /nfs/dbraw/zinc/73/19/88/539731988.db2.gz YTABUVYFMGWXFJ-KBPBESRZSA-N 1 0 302.484 2.216 10 0 DEAERO CCO[C@@H](C[NH3+])CCS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000084270769 192418849 /nfs/dbraw/zinc/41/88/49/192418849.db2.gz OFGISTDGCRLEQG-SECBINFHSA-N 1 0 309.790 2.007 10 0 DEAERO CCc1ccc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)s1 ZINC000234172710 539735911 /nfs/dbraw/zinc/73/59/11/539735911.db2.gz ADPGMMGMCNCKST-UHFFFAOYSA-N 1 0 324.471 2.460 10 0 DEAERO CC[C@H]([NH3+])c1nc2cc(F)ccc2n1CC(=O)NCC(C)C ZINC000071664530 191001076 /nfs/dbraw/zinc/00/10/76/191001076.db2.gz JFUCPZUMOHFDMY-LBPRGKRZSA-N 1 0 306.385 2.357 10 0 DEAERO CC[NH+](CC)CCCCN(C[C@H](C)C(=O)OC)C(=O)C(C)C ZINC000071603952 190991709 /nfs/dbraw/zinc/99/17/09/190991709.db2.gz LNBSQBQVKFGYKN-HNNXBMFYSA-N 1 0 314.470 2.402 10 0 DEAERO CC[NH+](CC)CCCN(CCC(=O)OC)C(=O)CC(C)C ZINC000071604813 190992602 /nfs/dbraw/zinc/99/26/02/190992602.db2.gz ZZEJIQNORXTFFS-UHFFFAOYSA-N 1 0 300.443 2.156 10 0 DEAERO CC(=O)NC1CCN([C@H](c2cccc(Cl)c2)[C@H](C)[NH3+])CC1 ZINC000133724440 186009932 /nfs/dbraw/zinc/00/99/32/186009932.db2.gz SSYAJLXVSPDARX-ZBEGNZNMSA-N 1 0 309.841 2.329 10 0 DEAERO O=C(N[C@@H]1CCO[C@H]1c1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245472002 539756387 /nfs/dbraw/zinc/75/63/87/539756387.db2.gz OMFALWYKUBSDJX-BBWFWOEESA-N 1 0 315.417 2.006 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccccc1-n1ccnc1)[NH+](C)C ZINC000138492826 186017008 /nfs/dbraw/zinc/01/70/08/186017008.db2.gz NREUIOZBGBBKOS-INIZCTEOSA-N 1 0 300.406 2.219 10 0 DEAERO CC[NH+](CC)CCN1C(=O)C2(CC2)N[C@@H]1c1ccc(C)s1 ZINC000138641952 186018217 /nfs/dbraw/zinc/01/82/17/186018217.db2.gz KEOPHUYWCZAVTD-AWEZNQCLSA-N 1 0 307.463 2.361 10 0 DEAERO CCC[C@@H]1N[C@H](c2cccs2)N(C2CC[NH+](C)CC2)C1=O ZINC000141177064 186029340 /nfs/dbraw/zinc/02/93/40/186029340.db2.gz RVLGCZMRKVNYLT-ZFWWWQNUSA-N 1 0 307.463 2.441 10 0 DEAERO CC[NH2+][C@@H](CC)c1cccc(S(=O)(=O)NCC(F)F)c1 ZINC000147897034 186042284 /nfs/dbraw/zinc/04/22/84/186042284.db2.gz CFAGYVWWZFLBPH-LBPRGKRZSA-N 1 0 306.378 2.291 10 0 DEAERO C[C@@H]1OCC[C@]1(C[NH3+])N(C)Cc1cccc(Br)c1 ZINC000147945868 186042288 /nfs/dbraw/zinc/04/22/88/186042288.db2.gz KKDMBLKZHZWMQQ-SMDDNHRTSA-N 1 0 313.239 2.387 10 0 DEAERO COCC[NH+](CCOC)Cc1cc(N)cc(Br)c1 ZINC000147959022 186042322 /nfs/dbraw/zinc/04/23/22/186042322.db2.gz QQBABIGCFHEFDD-UHFFFAOYSA-N 1 0 317.227 2.126 10 0 DEAERO CC[NH2+][C@H](CC)c1cccc(S(=O)(=O)NCC(F)F)c1 ZINC000147897252 186042360 /nfs/dbraw/zinc/04/23/60/186042360.db2.gz CFAGYVWWZFLBPH-GFCCVEGCSA-N 1 0 306.378 2.291 10 0 DEAERO Nc1cc(Br)cc(C[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000148010596 186042750 /nfs/dbraw/zinc/04/27/50/186042750.db2.gz LHJWGTSRVZYCQI-ZDUSSCGKSA-N 1 0 310.239 2.358 10 0 DEAERO CC[NH2+]Cc1sc(S(=O)(=O)N(C)C2CCC2)cc1C ZINC000144637829 186035603 /nfs/dbraw/zinc/03/56/03/186035603.db2.gz IJWUBVUZPAWORR-UHFFFAOYSA-N 1 0 302.465 2.339 10 0 DEAERO C[C@H](O)C(C)(C)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000144927519 186035911 /nfs/dbraw/zinc/03/59/11/186035911.db2.gz SPNYNXIELCSDMK-VIFPVBQESA-N 1 0 315.211 2.137 10 0 DEAERO C[C@@H](O)C(C)(C)[NH2+]CC(=O)Nc1ccccc1Br ZINC000145021779 186036511 /nfs/dbraw/zinc/03/65/11/186036511.db2.gz FFFCUNGIDBKSFG-SECBINFHSA-N 1 0 315.211 2.137 10 0 DEAERO CC(C)C[C@@H]1N[C@H](c2ccsc2)N([C@@H]2CC[N@H+](C)C2)C1=O ZINC000145224462 186036545 /nfs/dbraw/zinc/03/65/45/186036545.db2.gz UNZQVGSQWDRZLW-ILXRZTDVSA-N 1 0 307.463 2.297 10 0 DEAERO C[C@H](CN1C(=O)[C@H](C)N[C@H]1c1cccs1)[NH+]1CCCCC1 ZINC000145703411 186038147 /nfs/dbraw/zinc/03/81/47/186038147.db2.gz OAVADUPRFAYWHP-VNHYZAJKSA-N 1 0 307.463 2.441 10 0 DEAERO [NH3+]CCCN(C1CCCC1)S(=O)(=O)CCc1ccccc1 ZINC000149265914 186048353 /nfs/dbraw/zinc/04/83/53/186048353.db2.gz DWZDDGPTEYTNCB-UHFFFAOYSA-N 1 0 310.463 2.152 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000149410048 186049415 /nfs/dbraw/zinc/04/94/15/186049415.db2.gz AZBBNMJLIKZJKT-CYBMUJFWSA-N 1 0 309.841 2.364 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000149589898 186051431 /nfs/dbraw/zinc/05/14/31/186051431.db2.gz QFDMEQPWRGLJDT-SNVBAGLBSA-N 1 0 307.785 2.234 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000149710490 186052765 /nfs/dbraw/zinc/05/27/65/186052765.db2.gz VHRPWCXDDQIAQT-JTQLQIEISA-N 1 0 311.813 2.355 10 0 DEAERO COc1ccc(Br)cc1C[C@](O)(C[NH3+])C(C)C ZINC000150058380 186054190 /nfs/dbraw/zinc/05/41/90/186054190.db2.gz JMOSSSDBWCDOPH-ZDUSSCGKSA-N 1 0 302.212 2.346 10 0 DEAERO C[NH2+]Cc1nc([C@H]2CCS(=O)(=O)C2)sc1-c1ccccc1 ZINC000150325956 186056477 /nfs/dbraw/zinc/05/64/77/186056477.db2.gz RBAQOQKHUFNZGU-LBPRGKRZSA-N 1 0 322.455 2.432 10 0 DEAERO C[NH2+]Cc1sc([C@H]2CCS(=O)(=O)C2)nc1-c1ccccc1 ZINC000150327298 186056652 /nfs/dbraw/zinc/05/66/52/186056652.db2.gz LHPXTLKLYDROCT-LBPRGKRZSA-N 1 0 322.455 2.432 10 0 DEAERO c1cc(C[NH2+][C@H]2CCCSC2)c(OC[C@@H]2CCOC2)cn1 ZINC000287133998 219335952 /nfs/dbraw/zinc/33/59/52/219335952.db2.gz AICOBCSAGXPZFK-HIFRSBDPSA-N 1 0 308.447 2.482 10 0 DEAERO COC[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000152397089 186068697 /nfs/dbraw/zinc/06/86/97/186068697.db2.gz WDARTBNFNVHFLT-HZPDHXFCSA-N 1 0 311.470 2.175 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NC2CC(C)C2)ccc1Cl ZINC000164028528 186146528 /nfs/dbraw/zinc/14/65/28/186146528.db2.gz FNBDHZBDTNIYCY-UHFFFAOYSA-N 1 0 302.827 2.136 10 0 DEAERO Brc1cnc(O[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000164056586 186147038 /nfs/dbraw/zinc/14/70/38/186147038.db2.gz XFPKBFTYLOKRLQ-SSDOTTSWSA-N 1 0 322.000 2.347 10 0 DEAERO CCn1ncc(Br)c1[C@](C)(F)C[C@H]1COCC[NH2+]1 ZINC000164056035 186147055 /nfs/dbraw/zinc/14/70/55/186147055.db2.gz SJWIZJQLLMYXHX-JOYOIKCWSA-N 1 0 320.206 2.229 10 0 DEAERO CC(C(=O)Nc1cc(Br)ccc1N(C)C)=C1C[NH2+]C1 ZINC000164064516 186147702 /nfs/dbraw/zinc/14/77/02/186147702.db2.gz WCRWNNCYKQTHCP-UHFFFAOYSA-N 1 0 324.222 2.373 10 0 DEAERO CCOc1cccnc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000164108012 186148781 /nfs/dbraw/zinc/14/87/81/186148781.db2.gz DOHPOZZNTVFXNK-KBPBESRZSA-N 1 0 303.406 2.037 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)C[S@@](=O)c2ccc(F)cc2)cc1 ZINC000155919371 186123485 /nfs/dbraw/zinc/12/34/85/186123485.db2.gz UERJWZREBMZFHW-NRFANRHFSA-N 1 0 306.362 2.031 10 0 DEAERO O=C(NC[C@H]1CCC[NH2+]C1)c1cccc(F)c1Br ZINC000155978072 186124727 /nfs/dbraw/zinc/12/47/27/186124727.db2.gz YIBVGMTUJJHJSW-VIFPVBQESA-N 1 0 315.186 2.318 10 0 DEAERO C[C@@H]([NH2+]CCn1ccnn1)c1sccc1Br ZINC000159663725 186134041 /nfs/dbraw/zinc/13/40/41/186134041.db2.gz ZURUJIRCROUQQW-MRVPVSSYSA-N 1 0 301.213 2.453 10 0 DEAERO CCCn1ncc(OC)c1C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000164281062 186154522 /nfs/dbraw/zinc/15/45/22/186154522.db2.gz UMOCRXDZVRWOJB-LBPRGKRZSA-N 1 0 305.300 2.026 10 0 DEAERO C[NH2+]Cc1cc(=O)[nH]c(-c2cc(F)ccc2C(F)(F)F)n1 ZINC000164271384 186154785 /nfs/dbraw/zinc/15/47/85/186154785.db2.gz UQHPTBDDMZEDRX-UHFFFAOYSA-N 1 0 301.243 2.314 10 0 DEAERO NNc1cc(N2CCC(C(F)(F)F)CC2)nc(C2CC2)[nH+]1 ZINC000164363127 186157182 /nfs/dbraw/zinc/15/71/82/186157182.db2.gz XVVJCCOHKVRGQK-UHFFFAOYSA-N 1 0 301.316 2.418 10 0 DEAERO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000164357121 186157584 /nfs/dbraw/zinc/15/75/84/186157584.db2.gz SLLSOMXLTKRCOQ-NEPJUHHUSA-N 1 0 305.447 2.380 10 0 DEAERO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000177853309 186193801 /nfs/dbraw/zinc/19/38/01/186193801.db2.gz OKTXOEJSAUETMN-GDBMZVCRSA-N 1 0 302.418 2.306 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(OC(C)(C)C)nc2)C1 ZINC000183883898 186227529 /nfs/dbraw/zinc/22/75/29/186227529.db2.gz FTHHNFXOHSYUBJ-CQSZACIVSA-N 1 0 320.437 2.104 10 0 DEAERO C[C@H]1OCCC[C@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000191838761 186261767 /nfs/dbraw/zinc/26/17/67/186261767.db2.gz VFKPBQWQYRRGFU-IUODEOHRSA-N 1 0 308.397 2.319 10 0 DEAERO CC(C)[C@@H](C)CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000246919552 535146612 /nfs/dbraw/zinc/14/66/12/535146612.db2.gz MPZAWBYEQRJWHP-LSDHHAIUSA-N 1 0 311.470 2.173 10 0 DEAERO O=C(Nc1cc2c(cc1Cl)OCO2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171887832 198002003 /nfs/dbraw/zinc/00/20/03/198002003.db2.gz XGKRGFFNBUUTRB-JTQLQIEISA-N 1 0 323.780 2.381 10 0 DEAERO CSc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171904361 198005435 /nfs/dbraw/zinc/00/54/35/198005435.db2.gz KXDSEESCPLOETI-CQSZACIVSA-N 1 0 305.447 2.398 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)cn1 ZINC000172053968 198031794 /nfs/dbraw/zinc/03/17/94/198031794.db2.gz OGGXBUZGKSLKRR-AWEZNQCLSA-N 1 0 309.373 2.460 10 0 DEAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(C(C)(C)C)CC1 ZINC000172185813 198054281 /nfs/dbraw/zinc/05/42/81/198054281.db2.gz ODQMGIWLAJWSEF-OAHLLOKOSA-N 1 0 324.513 2.090 10 0 DEAERO CC[C@H]1CN(C(=O)NCc2cccs2)CC[N@@H+]1CCOC ZINC000172320814 198079390 /nfs/dbraw/zinc/07/93/90/198079390.db2.gz AFYSNQFCNLTPAU-ZDUSSCGKSA-N 1 0 311.451 2.000 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CCCc3ccccc32)CCO1 ZINC000172306676 198075672 /nfs/dbraw/zinc/07/56/72/198075672.db2.gz NKXWYICRLONDDZ-DLBZAZTESA-N 1 0 316.445 2.286 10 0 DEAERO O=C(Nc1ccccc1)c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000172364427 198086302 /nfs/dbraw/zinc/08/63/02/198086302.db2.gz ZHCFIAZCXBDCAC-OAHLLOKOSA-N 1 0 323.400 2.013 10 0 DEAERO Cc1nn(-c2nc3ccccc3[nH]2)c(C)c1C(=O)CC[NH+](C)C ZINC000072416286 191155924 /nfs/dbraw/zinc/15/59/24/191155924.db2.gz ROSPYKGCHJLITR-UHFFFAOYSA-N 1 0 311.389 2.500 10 0 DEAERO C[C@H]1CN(c2ncc(Br)cc2F)C[C@H]1[NH+](C)C ZINC000300419720 539860492 /nfs/dbraw/zinc/86/04/92/539860492.db2.gz MDWYEGDRRCOSJY-GZMMTYOYSA-N 1 0 302.191 2.370 10 0 DEAERO O=C(NCC[NH+]1CCCCC1)c1cnc(-c2ccncc2)s1 ZINC000172854881 198158249 /nfs/dbraw/zinc/15/82/49/198158249.db2.gz QTXFOJVYMZOYDQ-UHFFFAOYSA-N 1 0 316.430 2.421 10 0 DEAERO Cc1nc(C)c(Br)c(N2C[C@H]([NH+](C)C)[C@@H](C)C2)n1 ZINC000322942533 539903453 /nfs/dbraw/zinc/90/34/53/539903453.db2.gz IEJYATQBRWEXOT-KWQFWETISA-N 1 0 313.243 2.242 10 0 DEAERO C[C@@H]([NH2+][C@H]1COC[C@H]1n1ccnn1)C1CCC(F)(F)CC1 ZINC000328971375 539912742 /nfs/dbraw/zinc/91/27/42/539912742.db2.gz VDHKNOQROLTQEA-KGYLQXTDSA-N 1 0 300.353 2.022 10 0 DEAERO O=C(Nc1nc(C(F)(F)F)cs1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333114965 539948732 /nfs/dbraw/zinc/94/87/32/539948732.db2.gz HCUITVIIRKSMAL-HTQZYQBOSA-N 1 0 320.340 2.235 10 0 DEAERO CN(C(=O)Nc1cccc2c1OCCC2=O)[C@H]1CCC[NH2+]CC1 ZINC000333168856 539950616 /nfs/dbraw/zinc/95/06/16/539950616.db2.gz PHJLTZFGSAKSMA-LBPRGKRZSA-N 1 0 317.389 2.258 10 0 DEAERO c1nc2nc(-c3ccccc3)cc(N3CCC4(CC[NH2+]4)CC3)n2n1 ZINC000333328208 539956310 /nfs/dbraw/zinc/95/63/10/539956310.db2.gz VROZGMJKWYCGNV-UHFFFAOYSA-N 1 0 320.400 2.124 10 0 DEAERO CN1CCO[C@@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000246584329 282988112 /nfs/dbraw/zinc/98/81/12/282988112.db2.gz YXKDMAKHPKXQCT-WFASDCNBSA-N 1 0 310.825 2.474 10 0 DEAERO C[C@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)Cc2ccccc2O1 ZINC000333677261 539968275 /nfs/dbraw/zinc/96/82/75/539968275.db2.gz OFUNRLLTAYFVKP-DZGCQCFKSA-N 1 0 303.406 2.121 10 0 DEAERO Cc1sc2nc(CN3CCC([NH+](C)C)CC3)nc(N)c2c1C ZINC000315559294 282874525 /nfs/dbraw/zinc/87/45/25/282874525.db2.gz JQVCGEKLOAKIBG-UHFFFAOYSA-N 1 0 319.478 2.416 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000333707913 539969791 /nfs/dbraw/zinc/96/97/91/539969791.db2.gz FCSQDCVSWGRXJP-GIFSMMMISA-N 1 0 309.360 2.118 10 0 DEAERO CCOc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174250907 198311331 /nfs/dbraw/zinc/31/13/31/198311331.db2.gz UIHVOVOXVZAWGU-MRXNPFEDSA-N 1 0 315.417 2.241 10 0 DEAERO COc1cc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1C ZINC000174269182 198312979 /nfs/dbraw/zinc/31/29/79/198312979.db2.gz PSJYSLUDNDJYFM-MRXNPFEDSA-N 1 0 315.417 2.159 10 0 DEAERO COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccc(CO)o3)C2)c1 ZINC000174336599 198320681 /nfs/dbraw/zinc/32/06/81/198320681.db2.gz KSMHEVKPWBQBOD-AWEZNQCLSA-N 1 0 316.401 2.397 10 0 DEAERO Cn1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)c(C2CC2)n1 ZINC000292146904 222867622 /nfs/dbraw/zinc/86/76/22/222867622.db2.gz WSJFOGWMKHKXMM-ZDUSSCGKSA-N 1 0 305.426 2.246 10 0 DEAERO COC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000174628139 198361800 /nfs/dbraw/zinc/36/18/00/198361800.db2.gz DIXIQVKSMDXJOT-XIRDDKMYSA-N 1 0 319.449 2.498 10 0 DEAERO O[C@@H](CNc1nnc(-c2ccccc2)s1)C[NH+]1CCCCC1 ZINC000174684587 198370379 /nfs/dbraw/zinc/37/03/79/198370379.db2.gz XLMPYJZVVANISQ-AWEZNQCLSA-N 1 0 318.446 2.464 10 0 DEAERO Cc1ccc([C@@H](O)C[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000174780902 198384857 /nfs/dbraw/zinc/38/48/57/198384857.db2.gz IXFJVRRAEIYGKC-KRWDZBQOSA-N 1 0 312.417 2.031 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1ccc(OC)cc1 ZINC000174786677 198385714 /nfs/dbraw/zinc/38/57/14/198385714.db2.gz BIXWMYFZNKLQLG-INIZCTEOSA-N 1 0 319.449 2.440 10 0 DEAERO CC(C)(C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C1(O)CCOCC1 ZINC000333939951 282990496 /nfs/dbraw/zinc/99/04/96/282990496.db2.gz NQIDWPIIEAREBS-KFWWJZLASA-N 1 0 311.466 2.347 10 0 DEAERO c1nc2sc3c(c2c(N2CC[N@@H+]4CCC[C@H]4C2)n1)CCC3 ZINC000024659706 354066380 /nfs/dbraw/zinc/06/63/80/354066380.db2.gz AMWQMSKDRKVKNV-NSHDSACASA-N 1 0 300.431 2.464 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000236787715 202007683 /nfs/dbraw/zinc/00/76/83/202007683.db2.gz DTTOIOWUYRDXJQ-INIZCTEOSA-N 1 0 318.417 2.292 10 0 DEAERO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000236787455 202008580 /nfs/dbraw/zinc/00/85/80/202008580.db2.gz VILUDOFHIYAAQR-UONOGXRCSA-N 1 0 318.417 2.195 10 0 DEAERO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1cscn1 ZINC000051749856 354388650 /nfs/dbraw/zinc/38/86/50/354388650.db2.gz LWCVJPJZZIPWDL-UHFFFAOYSA-N 1 0 318.446 2.417 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)NCc1cccc(O)c1)c1ccccc1 ZINC000057183555 354560580 /nfs/dbraw/zinc/56/05/80/354560580.db2.gz LCGDADQZDWNKEM-QGZVFWFLSA-N 1 0 313.401 2.494 10 0 DEAERO CCc1nnc2ccc(N3CCCC[C@@H]([NH+]4CCCC4)C3)nn21 ZINC000068703394 354827136 /nfs/dbraw/zinc/82/71/36/354827136.db2.gz MWONLNACSSWUSY-CQSZACIVSA-N 1 0 314.437 2.141 10 0 DEAERO Cc1c(C(=O)N2CCC([NH+](C)C)CC2)oc2c1C(=O)CCC2 ZINC000068079654 354794537 /nfs/dbraw/zinc/79/45/37/354794537.db2.gz IEFYIQMCTGMTST-UHFFFAOYSA-N 1 0 304.390 2.273 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1ccnc2ccccc21 ZINC000077217974 355189735 /nfs/dbraw/zinc/18/97/35/355189735.db2.gz NIHUKIIVBWTKBZ-UHFFFAOYSA-N 1 0 313.401 2.077 10 0 DEAERO O=C(CCCCO)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379607418 540121445 /nfs/dbraw/zinc/12/14/45/540121445.db2.gz DZIDVLXVGIODPO-QGZVFWFLSA-N 1 0 304.434 2.320 10 0 DEAERO CCCc1cc(N2CCC([NH3+])CC2)nc(-n2nc(C)cc2C)n1 ZINC000073663288 191339062 /nfs/dbraw/zinc/33/90/62/191339062.db2.gz IONOLZDOJBGRPX-UHFFFAOYSA-N 1 0 314.437 2.159 10 0 DEAERO CN1CCN(C(=O)c2nscc2Br)CC1(C)C ZINC000404780593 540147175 /nfs/dbraw/zinc/14/71/75/540147175.db2.gz CCSHANMAQMGAQK-UHFFFAOYSA-N 1 0 318.240 2.072 10 0 DEAERO C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000401705864 540141628 /nfs/dbraw/zinc/14/16/28/540141628.db2.gz DNOWNKJARZZPHR-XCBNKYQSSA-N 1 0 310.703 2.113 10 0 DEAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000075958642 191542285 /nfs/dbraw/zinc/54/22/85/191542285.db2.gz NHVDIULACNWLIS-BBRMVZONSA-N 1 0 302.422 2.277 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NC2(CO)CCCC2)[C@H]1c1ccccc1 ZINC000248057053 283125066 /nfs/dbraw/zinc/12/50/66/283125066.db2.gz ONQFJPXQUSTUTO-JKSUJKDBSA-N 1 0 317.433 2.036 10 0 DEAERO Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000123793627 355806975 /nfs/dbraw/zinc/80/69/75/355806975.db2.gz SENCNUGWIKFKQI-KRWDZBQOSA-N 1 0 312.417 2.492 10 0 DEAERO COc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000139681560 355878889 /nfs/dbraw/zinc/87/88/89/355878889.db2.gz JIVQUUWISMBGOD-JSGCOSHPSA-N 1 0 321.421 2.158 10 0 DEAERO Cc1cc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)on1 ZINC000140238424 355883846 /nfs/dbraw/zinc/88/38/46/355883846.db2.gz OERQHROBQKLKNW-HNNXBMFYSA-N 1 0 302.378 2.085 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000079547942 191949229 /nfs/dbraw/zinc/94/92/29/191949229.db2.gz IHPYCPGXUWDBOV-ZIAGYGMSSA-N 1 0 305.422 2.471 10 0 DEAERO COc1cccc(F)c1[C@@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000179926083 356036902 /nfs/dbraw/zinc/03/69/02/356036902.db2.gz HMAJKHWSILRHIX-GHMZBOCLSA-N 1 0 303.399 2.166 10 0 DEAERO Cc1cnn(CCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180168143 356044282 /nfs/dbraw/zinc/04/42/82/356044282.db2.gz PFXFXOWFZRSZGE-FUHWJXTLSA-N 1 0 312.417 2.143 10 0 DEAERO CC1CCC(NS(=O)(=O)C2CCCCC2)(C(N)=[NH2+])CC1 ZINC000079787179 191973137 /nfs/dbraw/zinc/97/31/37/191973137.db2.gz LWYXPHOQTNSVAM-UHFFFAOYSA-N 1 0 301.456 2.123 10 0 DEAERO CCc1cnc(CC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)s1 ZINC000183046498 356157917 /nfs/dbraw/zinc/15/79/17/356157917.db2.gz NFAURWGSFHMRJY-CHWSQXEVSA-N 1 0 316.492 2.193 10 0 DEAERO CCS(=O)(=O)C[C@@H](C)[NH2+]CCc1ccc(OC)cc1Cl ZINC000183123202 356160527 /nfs/dbraw/zinc/16/05/27/356160527.db2.gz WFSLVHNSVVADQR-LLVKDONJSA-N 1 0 319.854 2.304 10 0 DEAERO CCOc1cccnc1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000183243021 356164730 /nfs/dbraw/zinc/16/47/30/356164730.db2.gz BUWUUJMPUZTJHW-UHFFFAOYSA-N 1 0 301.346 2.070 10 0 DEAERO C[C@@H](NCc1nnc(C2CC2)n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666419 356209426 /nfs/dbraw/zinc/20/94/26/356209426.db2.gz DOXZFJZSXGAHNZ-HIFRSBDPSA-N 1 0 317.481 2.435 10 0 DEAERO C[NH2+][C@H](C)c1csc(N2CCN(c3ccccn3)CC2)n1 ZINC000080804615 192193449 /nfs/dbraw/zinc/19/34/49/192193449.db2.gz QBTIUDJUSOROBJ-GFCCVEGCSA-N 1 0 303.435 2.145 10 0 DEAERO NC(=S)[C@H](C[N@@H+]1CC[C@H](N2CCCC2)C1)c1ccccc1 ZINC000080820479 192194470 /nfs/dbraw/zinc/19/44/70/192194470.db2.gz JYAZNQUORFGHKR-JKSUJKDBSA-N 1 0 303.475 2.226 10 0 DEAERO CC1(OCc2ccc(I)cc2)C[NH2+]C1 ZINC000214837449 356271553 /nfs/dbraw/zinc/27/15/53/356271553.db2.gz VJWUGEFESFOHFQ-UHFFFAOYSA-N 1 0 303.143 2.170 10 0 DEAERO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccnn2C)cc1 ZINC000225546020 356276341 /nfs/dbraw/zinc/27/63/41/356276341.db2.gz JXTZPCVZWCWXAV-ROUUACIJSA-N 1 0 315.417 2.301 10 0 DEAERO Cc1nn(C[C@@H]2C[N@H+](C(C)C)CCO2)c(C)c1Br ZINC000080747780 192186777 /nfs/dbraw/zinc/18/67/77/192186777.db2.gz GXWLKAOZCXHESN-LBPRGKRZSA-N 1 0 316.243 2.372 10 0 DEAERO OCCCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000236497557 356289848 /nfs/dbraw/zinc/28/98/48/356289848.db2.gz UMHVPRZDDCFGIJ-SNVBAGLBSA-N 1 0 308.205 2.095 10 0 DEAERO CC[C@](C)(CO)[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000080886584 192199616 /nfs/dbraw/zinc/19/96/16/192199616.db2.gz RDAZRZJIFIIZHF-CYBMUJFWSA-N 1 0 304.312 2.438 10 0 DEAERO C[C@H]([NH2+]CC1(N(C)C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400512739 283158165 /nfs/dbraw/zinc/15/81/65/283158165.db2.gz MAFNHFLMXBKEDH-UONOGXRCSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]([NH2+]CCC1(CO)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447544 283156753 /nfs/dbraw/zinc/15/67/53/283156753.db2.gz NWWIBMYQSZVLIY-KGLIPLIRSA-N 1 0 312.454 2.384 10 0 DEAERO CC(C)[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400391051 283156776 /nfs/dbraw/zinc/15/67/76/283156776.db2.gz OEQWITASNAAROG-ZNMIVQPWSA-N 1 0 314.470 2.486 10 0 DEAERO C[C@H]1C[NH+]=C(Nc2ccccc2I)N1 ZINC000306563343 356404575 /nfs/dbraw/zinc/40/45/75/356404575.db2.gz VOCLGGRHXFUUSM-ZETCQYMHSA-N 1 0 301.131 2.051 10 0 DEAERO [NH3+]Cc1ncc(I)cc1C(F)(F)F ZINC000306978408 356406216 /nfs/dbraw/zinc/40/62/16/356406216.db2.gz BDAHYLZEJBLTII-UHFFFAOYSA-N 1 0 302.037 2.164 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](c2cccc(I)c2)O1 ZINC000307606541 356409248 /nfs/dbraw/zinc/40/92/48/356409248.db2.gz CSXVLQXBXMGYLU-QWRGUYRKSA-N 1 0 303.143 2.470 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCn2cnnc2C1 ZINC000081531259 192284953 /nfs/dbraw/zinc/28/49/53/192284953.db2.gz NODHFQKVZSOXJC-HIFRSBDPSA-N 1 0 305.813 2.226 10 0 DEAERO CCOC(=O)CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000081544643 192287833 /nfs/dbraw/zinc/28/78/33/192287833.db2.gz COGWPUUCOXAXDG-GFCCVEGCSA-N 1 0 313.419 2.084 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000358313512 283185707 /nfs/dbraw/zinc/18/57/07/283185707.db2.gz VDGRFILOHVPTGA-LSDHHAIUSA-N 1 0 319.449 2.042 10 0 DEAERO CCC(CC)C(=O)N1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236929287 202076684 /nfs/dbraw/zinc/07/66/84/202076684.db2.gz RZFBDUVIUNYWGD-LSDHHAIUSA-N 1 0 323.481 2.047 10 0 DEAERO CCOCCOc1ccccc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000236961325 202095741 /nfs/dbraw/zinc/09/57/41/202095741.db2.gz OEHAPQJCBOIGLY-CABCVRRESA-N 1 0 320.433 2.301 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000086026086 192545900 /nfs/dbraw/zinc/54/59/00/192545900.db2.gz WADUHHMWKGLUGT-GXTWGEPZSA-N 1 0 301.839 2.295 10 0 DEAERO c1cnn(-c2cccnc2-c2noc(C34CCC[NH+]3CCC4)n2)c1 ZINC000351234231 356637481 /nfs/dbraw/zinc/63/74/81/356637481.db2.gz XXLADERNRIOZCK-UHFFFAOYSA-N 1 0 322.372 2.402 10 0 DEAERO [NH3+][C@@H]1CN(c2ncc(Br)cn2)C[C@H]1c1ccccc1 ZINC000381096907 356670023 /nfs/dbraw/zinc/67/00/23/356670023.db2.gz YZDCBOZMSZBKLL-QWHCGFSZSA-N 1 0 319.206 2.170 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2csc(Br)c2)C1 ZINC000382471275 356675667 /nfs/dbraw/zinc/67/56/67/356675667.db2.gz BQYAGKUZBNXKJS-APPZFPTMSA-N 1 0 303.225 2.368 10 0 DEAERO COc1c(Br)cc(Cl)cc1NC(=O)[C@H]1CC[NH2+]1 ZINC000384809419 356685047 /nfs/dbraw/zinc/68/50/47/356685047.db2.gz FQNARQKQCDUWLK-MRVPVSSYSA-N 1 0 319.586 2.412 10 0 DEAERO CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000177764904 198771888 /nfs/dbraw/zinc/77/18/88/198771888.db2.gz KVURQOMUAIFENQ-CYBMUJFWSA-N 1 0 306.406 2.413 10 0 DEAERO C[C@]1(C(=O)NCc2ccsc2Br)CCC[NH2+]1 ZINC000388391046 356705732 /nfs/dbraw/zinc/70/57/32/356705732.db2.gz CBBYEDBRGZSBFR-LLVKDONJSA-N 1 0 303.225 2.269 10 0 DEAERO O=S1(=O)CC[C@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000388821612 356706303 /nfs/dbraw/zinc/70/63/03/356706303.db2.gz JPPWFPVMEBYHCA-MRVPVSSYSA-N 1 0 324.265 2.035 10 0 DEAERO Brc1ccc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)cc1 ZINC000404064904 356731847 /nfs/dbraw/zinc/73/18/47/356731847.db2.gz JKBOJESEVASRLX-UONOGXRCSA-N 1 0 311.223 2.012 10 0 DEAERO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCOC2)c(OC)c1 ZINC000177928160 198790133 /nfs/dbraw/zinc/79/01/33/198790133.db2.gz LJWKJSZJBRRZOF-OLZOCXBDSA-N 1 0 322.405 2.190 10 0 DEAERO COC(=O)COC[C@H]([NH3+])c1cc(C)c(Br)s1 ZINC000087019504 192612056 /nfs/dbraw/zinc/61/20/56/192612056.db2.gz WRWZLFGHRSTDFC-ZETCQYMHSA-N 1 0 308.197 2.008 10 0 DEAERO COCc1cnc(NC(=O)NCC[N@H+]2CC=C(C)CC2)s1 ZINC000580766168 357077494 /nfs/dbraw/zinc/07/74/94/357077494.db2.gz WURVYYVBLQXJHL-UHFFFAOYSA-N 1 0 310.423 2.063 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@H](C)C2)ccc1Cl ZINC000088913047 192655276 /nfs/dbraw/zinc/65/52/76/192655276.db2.gz FJXHRFNMAKSJGJ-NSHDSACASA-N 1 0 316.854 2.480 10 0 DEAERO CCC[NH2+]CCc1ccc(S(=O)(=O)N(CC)C2CC2)s1 ZINC000088940904 192662327 /nfs/dbraw/zinc/66/23/27/192662327.db2.gz HZLOICUAYCFWQB-UHFFFAOYSA-N 1 0 316.492 2.463 10 0 DEAERO CC[C@@H]1CCCCN1S(=O)(=O)c1ccsc1C[NH2+]C ZINC000088942619 192663098 /nfs/dbraw/zinc/66/30/98/192663098.db2.gz OMPIDSBQAXREES-LLVKDONJSA-N 1 0 302.465 2.421 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N(C)[C@@H](C)C(C)C)s1 ZINC000088963622 192671292 /nfs/dbraw/zinc/67/12/92/192671292.db2.gz YHFCTMYRQIVMGW-NSHDSACASA-N 1 0 304.481 2.175 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)c2cc(C[NH3+])n(C3CC3)c2)C1 ZINC000088968765 192672233 /nfs/dbraw/zinc/67/22/33/192672233.db2.gz ZZLUEANBSWOXOT-LBPRGKRZSA-N 1 0 311.451 2.092 10 0 DEAERO CC(C)[NH2+]CCc1ccc(S(=O)(=O)N2CC[C@H](C)C2)s1 ZINC000088986896 192682768 /nfs/dbraw/zinc/68/27/68/192682768.db2.gz PXTAZGGLWILTGD-LBPRGKRZSA-N 1 0 316.492 2.319 10 0 DEAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC12CCC2 ZINC000441514479 283265476 /nfs/dbraw/zinc/26/54/76/283265476.db2.gz SRPVECGNWKAXLV-UHFFFAOYSA-N 1 0 315.417 2.150 10 0 DEAERO Cc1ccc(C)c(N2CC[NH+](CCC(=O)NC(C)C)CC2)c1 ZINC000178785186 198930714 /nfs/dbraw/zinc/93/07/14/198930714.db2.gz NJPJBMQBKLIRMI-UHFFFAOYSA-N 1 0 303.450 2.340 10 0 DEAERO Cc1cc(C)c(C[NH2+]CCCN2CCCS2(=O)=O)cc1C ZINC000591716514 357753654 /nfs/dbraw/zinc/75/36/54/357753654.db2.gz GXQJUPDJSRTQOY-UHFFFAOYSA-N 1 0 310.463 2.127 10 0 DEAERO CCC[C@H](C(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1)[NH+](C)C ZINC000179233828 199002407 /nfs/dbraw/zinc/00/24/07/199002407.db2.gz YGIYTCWVKZBNAE-UKRRQHHQSA-N 1 0 322.449 2.481 10 0 DEAERO CCn1cc(S(=O)(=O)N(C)[C@H](C)CC(C)C)cc1C[NH2+]C ZINC000089004821 192691534 /nfs/dbraw/zinc/69/15/34/192691534.db2.gz BVOYUYWMMNSSFB-CYBMUJFWSA-N 1 0 315.483 2.283 10 0 DEAERO CCn1nc(C)c(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1C ZINC000179548887 199052898 /nfs/dbraw/zinc/05/28/98/199052898.db2.gz WGVRZSCCJQXSRU-AWEZNQCLSA-N 1 0 307.442 2.468 10 0 DEAERO Cn1cc(-c2cc(C[NH2+][C@@H](CCO)C3CCCCC3)on2)cn1 ZINC000185057127 199803585 /nfs/dbraw/zinc/80/35/85/199803585.db2.gz RGOZFPLTLINCGY-INIZCTEOSA-N 1 0 318.421 2.496 10 0 DEAERO COCCN1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C[C@@H]1C ZINC000180086188 199115721 /nfs/dbraw/zinc/11/57/21/199115721.db2.gz HHKKTGWKZJRMAV-CVEARBPZSA-N 1 0 306.450 2.451 10 0 DEAERO CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180224191 199133467 /nfs/dbraw/zinc/13/34/67/199133467.db2.gz JNHMWCJMKMMUBZ-MAUKXSAKSA-N 1 0 304.434 2.238 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2c(C)cc(C)cc2C)CC1 ZINC000180430083 199158754 /nfs/dbraw/zinc/15/87/54/199158754.db2.gz JPLKMXFWLXTBTC-QGZVFWFLSA-N 1 0 318.461 2.069 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)CCCC(=O)N3)C1 ZINC000594367618 358250167 /nfs/dbraw/zinc/25/01/67/358250167.db2.gz RIOFZILHSYNTJJ-ZDUSSCGKSA-N 1 0 315.417 2.033 10 0 DEAERO COc1ccccc1C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(C)C ZINC000180581121 199179951 /nfs/dbraw/zinc/17/99/51/199179951.db2.gz ZMQVVGQQMROAOR-JKSUJKDBSA-N 1 0 314.433 2.458 10 0 DEAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000180589342 199180618 /nfs/dbraw/zinc/18/06/18/199180618.db2.gz WKOHCONEJQIXMF-CZUORRHYSA-N 1 0 322.416 2.438 10 0 DEAERO CCN(CC)C(=O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180676316 199195149 /nfs/dbraw/zinc/19/51/49/199195149.db2.gz FZRUCXHIBIYFOG-CQSZACIVSA-N 1 0 300.406 2.391 10 0 DEAERO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180676299 199195312 /nfs/dbraw/zinc/19/53/12/199195312.db2.gz FZRUCXHIBIYFOG-AWEZNQCLSA-N 1 0 300.406 2.391 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(Cl)cn1 ZINC000180841851 199217175 /nfs/dbraw/zinc/21/71/75/199217175.db2.gz IGBHOKOUGAWNOI-SMDDNHRTSA-N 1 0 308.813 2.113 10 0 DEAERO C[C@H]1C[C@H](NC(=O)NCc2ccc(Cl)cn2)C[N@@H+]1C1CC1 ZINC000180916957 199227334 /nfs/dbraw/zinc/22/73/34/199227334.db2.gz JYWJESMDMSIBLQ-GWCFXTLKSA-N 1 0 308.813 2.159 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)NCc2ccc(Cl)cn2)C[N@@H+]1C1CC1 ZINC000180916989 199227911 /nfs/dbraw/zinc/22/79/11/199227911.db2.gz JYWJESMDMSIBLQ-GXFFZTMASA-N 1 0 308.813 2.159 10 0 DEAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(Cl)cn2)C1 ZINC000180972954 199236177 /nfs/dbraw/zinc/23/61/77/199236177.db2.gz CHTJVOSPFMHWHT-OCCSQVGLSA-N 1 0 310.829 2.407 10 0 DEAERO CCC[C@@H](C(=O)N1CCO[C@H](Cc2ccccc2)C1)[NH+](C)C ZINC000181181694 199261778 /nfs/dbraw/zinc/26/17/78/199261778.db2.gz UJAUVSMJVBNHCZ-SJORKVTESA-N 1 0 304.434 2.187 10 0 DEAERO CCC[C@@H](C(=O)N1CCO[C@@H](Cc2ccccc2)C1)[NH+](C)C ZINC000181181731 199261979 /nfs/dbraw/zinc/26/19/79/199261979.db2.gz UJAUVSMJVBNHCZ-IRXDYDNUSA-N 1 0 304.434 2.187 10 0 DEAERO C[C@@H]1c2ccsc2CCN1S(=O)(=O)CCC[NH2+]C1CC1 ZINC000089008432 192695251 /nfs/dbraw/zinc/69/52/51/192695251.db2.gz PFBUKHGAAPKKCW-LLVKDONJSA-N 1 0 314.476 2.139 10 0 DEAERO CCC[NH2+]Cc1cc(S(=O)(=O)N[C@H]2C[C@H]2C)c(C)cc1C ZINC000089023717 192703289 /nfs/dbraw/zinc/70/32/89/192703289.db2.gz UWJKHISGDWAWHP-DOMZBBRYSA-N 1 0 310.463 2.490 10 0 DEAERO CN([C@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)CCc1ccccc1 ZINC000089132312 192731957 /nfs/dbraw/zinc/73/19/57/192731957.db2.gz NVHXWMVMVYNCET-CVEARBPZSA-N 1 0 310.463 2.008 10 0 DEAERO CCc1nn(CC)c(CN2CC[NH2+][C@H](C)C2)c1Br ZINC000089353631 192772320 /nfs/dbraw/zinc/77/23/20/192772320.db2.gz JKURGWXDKXHEMV-SNVBAGLBSA-N 1 0 315.259 2.022 10 0 DEAERO COc1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1OC(F)F ZINC000186688077 199991816 /nfs/dbraw/zinc/99/18/16/199991816.db2.gz DQUSBFCWRJDNHX-ONGXEEELSA-N 1 0 314.332 2.024 10 0 DEAERO C[N@H+](C[C@@H](O)COc1cccc2ccccc21)CC1(CO)CC1 ZINC000186793174 200012430 /nfs/dbraw/zinc/01/24/30/200012430.db2.gz LSUOPSUTROLUKW-MRXNPFEDSA-N 1 0 315.413 2.284 10 0 DEAERO Cc1ccc(N2CCC[C@@H]([N@H+](C)CC3(CO)CC3)C2=O)cc1 ZINC000186800689 200013424 /nfs/dbraw/zinc/01/34/24/200013424.db2.gz CCCJCMSQGBHZTI-MRXNPFEDSA-N 1 0 302.418 2.195 10 0 DEAERO C[C@@H]1CCC[C@H]([C@@H](C[NH3+])N2CCN(c3nccs3)CC2)C1 ZINC000089608153 192825618 /nfs/dbraw/zinc/82/56/18/192825618.db2.gz WLNLZPKVJYJYJE-QLFBSQMISA-N 1 0 308.495 2.419 10 0 DEAERO COc1cccc(CC[NH2+]C[C@@H]2CCO[C@H]2c2nccn2C)c1 ZINC000667789545 540527179 /nfs/dbraw/zinc/52/71/79/540527179.db2.gz RDWAECRKNPFYRS-DOTOQJQBSA-N 1 0 315.417 2.339 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000186851770 200021773 /nfs/dbraw/zinc/02/17/73/200021773.db2.gz UTNHRIOBSBCFMA-MXASKKJJSA-N 1 0 302.418 2.269 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc(Br)o2)C[C@H]1[NH+](C)C ZINC000089710264 192848107 /nfs/dbraw/zinc/84/81/07/192848107.db2.gz LXVNVILDNIJZCV-RKDXNWHRSA-N 1 0 301.184 2.064 10 0 DEAERO C[C@H]1CN(C(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000089710311 192848561 /nfs/dbraw/zinc/84/85/61/192848561.db2.gz VXGAWXZMVWZRLE-GZMMTYOYSA-N 1 0 302.205 2.411 10 0 DEAERO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCc3ncnn3C2)cc1F ZINC000187295341 200090342 /nfs/dbraw/zinc/09/03/42/200090342.db2.gz XAWZMMDJXKYHRJ-JSGCOSHPSA-N 1 0 318.396 2.209 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187809614 200160164 /nfs/dbraw/zinc/16/01/64/200160164.db2.gz INIMFVFUTKXXCA-DOTOQJQBSA-N 1 0 319.449 2.185 10 0 DEAERO [NH3+]Cc1cc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)co1 ZINC000188268888 200219643 /nfs/dbraw/zinc/21/96/43/200219643.db2.gz KTFKJJXKPVUQDZ-NSHDSACASA-N 1 0 321.327 2.025 10 0 DEAERO CO[C@H](C)[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000188412850 200242406 /nfs/dbraw/zinc/24/24/06/200242406.db2.gz YHDMYIIVLVFHGJ-LQKXBSAESA-N 1 0 305.422 2.154 10 0 DEAERO C[C@H]1CC[C@H](Nc2ccc(I)cn2)C[NH2+]1 ZINC000600864183 359844749 /nfs/dbraw/zinc/84/47/49/359844749.db2.gz XYSBUEZSDNQVCZ-WPRPVWTQSA-N 1 0 317.174 2.239 10 0 DEAERO Cc1ccc(-c2cc(C(=O)N3CC[NH+]4CCC3CC4)[nH]n2)cc1 ZINC000188605352 200274219 /nfs/dbraw/zinc/27/42/19/200274219.db2.gz HZROFGOFALCHGE-UHFFFAOYSA-N 1 0 310.401 2.305 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1nc(Br)cs1 ZINC000188867276 200314318 /nfs/dbraw/zinc/31/43/18/200314318.db2.gz WBYSDYKPLYWTAQ-MRVPVSSYSA-N 1 0 320.256 2.366 10 0 DEAERO O=C1[C@H]([NH2+]C2CCSCC2)CCN1Cc1ccc(F)cc1 ZINC000189049972 200341571 /nfs/dbraw/zinc/34/15/71/200341571.db2.gz XBNHKVAIEIXTPB-OAHLLOKOSA-N 1 0 308.422 2.412 10 0 DEAERO Cc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cnn1 ZINC000276115244 212682566 /nfs/dbraw/zinc/68/25/66/212682566.db2.gz VKFOXPDJKMRNGS-UHFFFAOYSA-N 1 0 302.422 2.312 10 0 DEAERO CC(C)n1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000190172789 200497652 /nfs/dbraw/zinc/49/76/52/200497652.db2.gz BXZPBLZUNHLRGI-KRWDZBQOSA-N 1 0 314.433 2.367 10 0 DEAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2nccn2c1 ZINC000608364021 361205573 /nfs/dbraw/zinc/20/55/73/361205573.db2.gz UJMJTODEPOZZMB-INIZCTEOSA-N 1 0 316.405 2.066 10 0 DEAERO CS[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000610044036 361354746 /nfs/dbraw/zinc/35/47/46/361354746.db2.gz KUJSZQWVIMRJEL-HNNXBMFYSA-N 1 0 318.446 2.488 10 0 DEAERO Cc1noc(NC(=O)CSCC[N@@H+](C)Cc2ccccc2)n1 ZINC000193615106 201086980 /nfs/dbraw/zinc/08/69/80/201086980.db2.gz ZHZLXZYYYDBJHI-UHFFFAOYSA-N 1 0 320.418 2.182 10 0 DEAERO CCOC(=O)c1csc(CC[NH2+][C@H]2CCC[C@@H](OC)C2)n1 ZINC000619430703 363791528 /nfs/dbraw/zinc/79/15/28/363791528.db2.gz RISKAPQBFYSVTL-NWDGAFQWSA-N 1 0 312.435 2.410 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000193648300 201095204 /nfs/dbraw/zinc/09/52/04/201095204.db2.gz FOFNUMLELUMNAM-BXUZGUMPSA-N 1 0 318.808 2.396 10 0 DEAERO CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000628230475 366776592 /nfs/dbraw/zinc/77/65/92/366776592.db2.gz HUXAXTDZBDDJHZ-RRFJBIMHSA-N 1 0 302.484 2.074 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1Cl ZINC000193732639 201113840 /nfs/dbraw/zinc/11/38/40/201113840.db2.gz GSLBRSBGSVFSCU-UHFFFAOYSA-N 1 0 323.824 2.140 10 0 DEAERO CC(C)(C)OC(=O)c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000610952848 361498658 /nfs/dbraw/zinc/49/86/58/361498658.db2.gz OBTBIIULWMVTOY-HOTGVXAUSA-N 1 0 302.418 2.293 10 0 DEAERO C=Cn1cc(CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000194783581 201288449 /nfs/dbraw/zinc/28/84/49/201288449.db2.gz NRJDBBVXRNFFCJ-QGZVFWFLSA-N 1 0 311.433 2.333 10 0 DEAERO Cc1nc(C[C@H]2CCC[N@H+](C[C@H](O)Cc3ccccc3)C2)no1 ZINC000195518141 201397332 /nfs/dbraw/zinc/39/73/32/201397332.db2.gz UXSSVIUJYFLMBV-IAGOWNOFSA-N 1 0 315.417 2.236 10 0 DEAERO Cc1cccc([C@@]2(O)C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)c1 ZINC000675053123 541285862 /nfs/dbraw/zinc/28/58/62/541285862.db2.gz GDBRKSZRJWVAQA-YOEHRIQHSA-N 1 0 306.406 2.498 10 0 DEAERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3ccon3)C1)CCCC2 ZINC000275428401 212327379 /nfs/dbraw/zinc/32/73/79/212327379.db2.gz UIEZYEMUZQJALH-LBPRGKRZSA-N 1 0 300.362 2.146 10 0 DEAERO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000449151687 240123285 /nfs/dbraw/zinc/12/32/85/240123285.db2.gz YDYBCYRYLXBUTR-SOLBZPMBSA-N 1 0 321.509 2.345 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C)c(F)c2)CC12COC2 ZINC000449356679 240391364 /nfs/dbraw/zinc/39/13/64/240391364.db2.gz CJEWPQCWRODNAI-CQSZACIVSA-N 1 0 307.365 2.146 10 0 DEAERO Brc1cccc2c1C[C@H]([NH2+]Cc1cnn[nH]1)CC2 ZINC000623578764 365087203 /nfs/dbraw/zinc/08/72/03/365087203.db2.gz XLNYHKZLNODKKO-SNVBAGLBSA-N 1 0 307.195 2.214 10 0 DEAERO COc1cc(C)c(NC(=O)C[C@H]2CSCC[NH2+]2)cc1OC ZINC000091135045 193000604 /nfs/dbraw/zinc/00/06/04/193000604.db2.gz QZMIGWBRAGDMNE-NSHDSACASA-N 1 0 310.419 2.046 10 0 DEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000623767229 365167678 /nfs/dbraw/zinc/16/76/78/365167678.db2.gz SHTHVXJDZYQGFQ-RYUDHWBXSA-N 1 0 320.614 2.342 10 0 DEAERO CN(Cc1cccc(Cl)c1)[C@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323352 193040592 /nfs/dbraw/zinc/04/05/92/193040592.db2.gz JTJAPCPDEDXLFU-HNNXBMFYSA-N 1 0 309.841 2.112 10 0 DEAERO CC(C)(C)[NH2+]Cc1cnn([C@@H]2CCS(=O)(=O)C2)c1C1CC1 ZINC000091336163 193044099 /nfs/dbraw/zinc/04/40/99/193044099.db2.gz KHTXPLZWGVJRIZ-CYBMUJFWSA-N 1 0 311.451 2.008 10 0 DEAERO OC[C@H]([C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)C1CC1)C1CC1 ZINC000449502112 240596003 /nfs/dbraw/zinc/59/60/03/240596003.db2.gz GADGPCIIBSEAOP-ZWKOTPCHSA-N 1 0 312.417 2.154 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2ccc(Br)nc2)CC1 ZINC000091447248 193056605 /nfs/dbraw/zinc/05/66/05/193056605.db2.gz FMIOYRQVYMUZAC-UHFFFAOYSA-N 1 0 312.211 2.010 10 0 DEAERO CN(CC1CC(O)C1)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000091459718 193059641 /nfs/dbraw/zinc/05/96/41/193059641.db2.gz YEXKQGNCMBCEFB-DBRPNBKGSA-N 1 0 313.239 2.152 10 0 DEAERO CC[NH2+]CC[C@@](C)(O)Cc1c(Br)c(CC)nn1C ZINC000091465000 193059737 /nfs/dbraw/zinc/05/97/37/193059737.db2.gz BPWHYGRZBVQYAN-CYBMUJFWSA-N 1 0 318.259 2.038 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000091480037 193062269 /nfs/dbraw/zinc/06/22/69/193062269.db2.gz JBXZCGVLMJQBPQ-JQWIXIFHSA-N 1 0 302.296 2.187 10 0 DEAERO Cc1nc(NC(=O)[C@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000091507058 193065698 /nfs/dbraw/zinc/06/56/98/193065698.db2.gz GHAFKSGSOQQCIF-SNVBAGLBSA-N 1 0 324.222 2.481 10 0 DEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc(Cl)ncc1Br ZINC000091659109 193085780 /nfs/dbraw/zinc/08/57/80/193085780.db2.gz BFRKAIQALJKNPT-MRVPVSSYSA-N 1 0 319.634 2.280 10 0 DEAERO CC[NH2+][C@H](Cc1ccncc1Cl)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721651 193096753 /nfs/dbraw/zinc/09/67/53/193096753.db2.gz IAXCGGRTGUQNSN-FVQBIDKESA-N 1 0 309.841 2.119 10 0 DEAERO C[NH2+][C@H](CCCS(C)(=O)=O)C1(N2CCCCC2)CCCC1 ZINC000091642194 193082810 /nfs/dbraw/zinc/08/28/10/193082810.db2.gz SBPSAOJNFGYUJF-OAHLLOKOSA-N 1 0 316.511 2.198 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000624415342 365416049 /nfs/dbraw/zinc/41/60/49/365416049.db2.gz CTAQKDZGVMBJOP-WRWORJQWSA-N 1 0 309.218 2.022 10 0 DEAERO C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2Cl)C[NH2+]1 ZINC000624407145 365413537 /nfs/dbraw/zinc/41/35/37/365413537.db2.gz UMMXBSQABVRHKL-BDAKNGLRSA-N 1 0 323.245 2.412 10 0 DEAERO C[C@H](C[NH3+])[C@@H](O)c1cc(Br)c2c(c1)OCCCO2 ZINC000091913327 193125591 /nfs/dbraw/zinc/12/55/91/193125591.db2.gz JNBPWQCZOHGDOX-PRHODGIISA-N 1 0 316.195 2.239 10 0 DEAERO CC(C)C1CCC(C[NH3+])([C@]2(O)CCC[C@H]2S(C)(=O)=O)CC1 ZINC000091922100 193126590 /nfs/dbraw/zinc/12/65/90/193126590.db2.gz LMHFVDZUGJAFKR-KNIAUWFNSA-N 1 0 317.495 2.106 10 0 DEAERO CN(CCOCC[NH3+])Cc1ccc(Br)c(F)c1F ZINC000629580734 367260000 /nfs/dbraw/zinc/26/00/00/367260000.db2.gz GAJLAVASMDWAPC-UHFFFAOYSA-N 1 0 323.181 2.134 10 0 DEAERO CS[C@@H]1CN(Cc2nnc(C(C)C)s2)C[C@@H]1[NH+](C)C ZINC000450636355 242050897 /nfs/dbraw/zinc/05/08/97/242050897.db2.gz MPKQHKBNTIKDGH-WDEREUQCSA-N 1 0 300.497 2.139 10 0 DEAERO C[C@@H]1CN(c2ccnc3cc(Br)cnc32)C[C@H]1C[NH3+] ZINC000630553676 367723930 /nfs/dbraw/zinc/72/39/30/367723930.db2.gz KXVQZVBCEFUBOG-NXEZZACHSA-N 1 0 321.222 2.423 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH2+]C3CC3)cc2)C[C@@H]1C ZINC000092091458 193155898 /nfs/dbraw/zinc/15/58/98/193155898.db2.gz DRHNXUBHWAZTJK-STQMWFEESA-N 1 0 308.447 2.215 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c(C)s1 ZINC000092113859 193161168 /nfs/dbraw/zinc/16/11/68/193161168.db2.gz VPBZPRKJHFPIKJ-AOOOYVTPSA-N 1 0 302.465 2.052 10 0 DEAERO CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115596 193163606 /nfs/dbraw/zinc/16/36/06/193163606.db2.gz RGHVKHMBPRLSRK-GFCCVEGCSA-N 1 0 300.399 2.238 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c(F)c1 ZINC000092116292 193164099 /nfs/dbraw/zinc/16/40/99/193164099.db2.gz XBARQPMVDFEAMN-VXGBXAGGSA-N 1 0 314.426 2.212 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)CC[C@@H]2C)c(F)c1 ZINC000092116275 193164165 /nfs/dbraw/zinc/16/41/65/193164165.db2.gz NAXUBEGZKSGONN-NEPJUHHUSA-N 1 0 314.426 2.354 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH2+]C)C(C)(C)OC)c1Br ZINC000092139058 193167394 /nfs/dbraw/zinc/16/73/94/193167394.db2.gz FEESCHKMRPVVRY-LLVKDONJSA-N 1 0 318.259 2.301 10 0 DEAERO c1cn(-c2ccccc2)c(NCc2cn(C[C@H]3CCOC3)nn2)[nH+]1 ZINC000630955124 367931528 /nfs/dbraw/zinc/93/15/28/367931528.db2.gz VOTBFPMVOGZCCI-CQSZACIVSA-N 1 0 324.388 2.112 10 0 DEAERO c1c(C[NH2+]CCCOC2CCCCC2)nnn1C[C@H]1CCOC1 ZINC000631035123 367980776 /nfs/dbraw/zinc/98/07/76/367980776.db2.gz AYKOXLLXKXUOFW-OAHLLOKOSA-N 1 0 322.453 2.144 10 0 DEAERO c1c(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000631164234 368055473 /nfs/dbraw/zinc/05/54/73/368055473.db2.gz OWDGOLMHGWJFTA-CWRNSKLLSA-N 1 0 304.438 2.373 10 0 DEAERO c1c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)nnn1C[C@@H]1CCOC1 ZINC000631080222 368006463 /nfs/dbraw/zinc/00/64/63/368006463.db2.gz XXFASAQEVWGJGI-CAOSSQGBSA-N 1 0 304.438 2.373 10 0 DEAERO c1c(C2CC2)nn2ccnc(NCC[NH+]3CCSCC3)c12 ZINC000631117999 368026237 /nfs/dbraw/zinc/02/62/37/368026237.db2.gz UVLWFRTVVZYMRP-UHFFFAOYSA-N 1 0 303.435 2.067 10 0 DEAERO c1c(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2)nnn1C[C@@H]1CCOC1 ZINC000631126633 368032630 /nfs/dbraw/zinc/03/26/30/368032630.db2.gz OIQHPCJLZVKBQB-XIRDDKMYSA-N 1 0 312.417 2.350 10 0 DEAERO c1cc(N2CC(NC3CC[NH+](C4CCCCC4)CC3)C2)ncn1 ZINC000631257440 368107657 /nfs/dbraw/zinc/10/76/57/368107657.db2.gz WTJCBSWCIQCKBW-UHFFFAOYSA-N 1 0 315.465 2.052 10 0 DEAERO Cc1sc2ncnc(N3CCC[C@](O)(C[NH+](C)C)C3)c2c1C ZINC000631344458 368164025 /nfs/dbraw/zinc/16/40/25/368164025.db2.gz QMUUWZLKXBZNRF-INIZCTEOSA-N 1 0 320.462 2.201 10 0 DEAERO c1ccc2c(c1)OC[C@@H](C[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)O2 ZINC000631561358 368287204 /nfs/dbraw/zinc/28/72/04/368287204.db2.gz NSMIEAIBDDNKPM-GFOFROLCSA-N 1 0 301.386 2.374 10 0 DEAERO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000631844553 368420177 /nfs/dbraw/zinc/42/01/77/368420177.db2.gz XZTUXJKBPWIVKC-ZJUUUORDSA-N 1 0 316.232 2.459 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSCc1ccccn1 ZINC000252443779 202835183 /nfs/dbraw/zinc/83/51/83/202835183.db2.gz OYYNWSDIDCNWNO-ZFWWWQNUSA-N 1 0 305.447 2.010 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])s1 ZINC000250424045 202821085 /nfs/dbraw/zinc/82/10/85/202821085.db2.gz CCGAQJPDYLABAR-ZYHUDNBSSA-N 1 0 302.465 2.058 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)cc1F ZINC000631960814 368467726 /nfs/dbraw/zinc/46/77/26/368467726.db2.gz YCTJMIUHYYGFPY-LBPRGKRZSA-N 1 0 300.399 2.026 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000631959991 368468391 /nfs/dbraw/zinc/46/83/91/368468391.db2.gz GJTZYQNFECKUHI-CYBMUJFWSA-N 1 0 300.399 2.026 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(C)s1 ZINC000631995575 368484885 /nfs/dbraw/zinc/48/48/85/368484885.db2.gz IUQQHGXIBRRFCM-OLZOCXBDSA-N 1 0 314.476 2.128 10 0 DEAERO COCC[C@@H]([NH2+]C[C@@H](O)COC)c1cccc(C(F)(F)F)c1 ZINC000451695500 243316716 /nfs/dbraw/zinc/31/67/16/243316716.db2.gz QGCDZGRMIQWRKK-ZIAGYGMSSA-N 1 0 321.339 2.380 10 0 DEAERO CC(C)c1ccc(CCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261739290 203105894 /nfs/dbraw/zinc/10/58/94/203105894.db2.gz KKWIOIFXYADQAB-SJORKVTESA-N 1 0 304.434 2.365 10 0 DEAERO CC[C@H]1CCc2nc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)sc2C1 ZINC000261918225 203152944 /nfs/dbraw/zinc/15/29/44/203152944.db2.gz YKCNTAOBVUBADQ-UMNHJUIQSA-N 1 0 309.435 2.103 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H](CSc3ccccc3)C2)O1 ZINC000261923894 203153831 /nfs/dbraw/zinc/15/38/31/203153831.db2.gz ZADCSZVQBINQIK-LZWOXQAQSA-N 1 0 320.458 2.134 10 0 DEAERO COCCCN(CCOC)[C@H](C[NH3+])c1cc(Cl)cs1 ZINC000093095574 193203581 /nfs/dbraw/zinc/20/35/81/193203581.db2.gz SAEKNCCTKUSJOL-GFCCVEGCSA-N 1 0 306.859 2.386 10 0 DEAERO C[NH+]1CCC2(CC1)CC(=O)NC(=O)[C@H]2c1ccc(Cl)cc1 ZINC000093161615 193209117 /nfs/dbraw/zinc/20/91/17/193209117.db2.gz IOLDMYPQZAKVTE-CQSZACIVSA-N 1 0 306.793 2.182 10 0 DEAERO COc1ccc(OC)c(CCCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262398525 203283363 /nfs/dbraw/zinc/28/33/63/203283363.db2.gz QTUBRVNVLNVETG-ZFWWWQNUSA-N 1 0 320.433 2.141 10 0 DEAERO O=S1(=O)CC[C@@H](C2(Cc3csc4ccccc34)C[NH2+]C2)C1 ZINC000093195405 193214746 /nfs/dbraw/zinc/21/47/46/193214746.db2.gz WWOQRJYOPRVPEP-CYBMUJFWSA-N 1 0 321.467 2.468 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1c(C)oc(C)c1C[NH3+] ZINC000093265761 193222746 /nfs/dbraw/zinc/22/27/46/193222746.db2.gz OTKRLHIDNDHRFM-SNVBAGLBSA-N 1 0 302.440 2.412 10 0 DEAERO C[S@](=O)Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC000262645864 203363531 /nfs/dbraw/zinc/36/35/31/203363531.db2.gz RSOSXXYEHGAZCJ-MTTWPYTGSA-N 1 0 314.838 2.284 10 0 DEAERO Cc1cc2ncc([C@H](C)[NH2+]CCCN3CCCC3=O)c(C)n2n1 ZINC000093370054 193239158 /nfs/dbraw/zinc/23/91/58/193239158.db2.gz ZQLWQCGKTLYQCQ-ZDUSSCGKSA-N 1 0 315.421 2.009 10 0 DEAERO C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262613110 203350825 /nfs/dbraw/zinc/35/08/25/203350825.db2.gz DUGAFPPIXYAERP-FFKKGALMSA-N 1 0 308.447 2.071 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(F)cc1Br)C(OC)OC ZINC000093304907 193227253 /nfs/dbraw/zinc/22/72/53/193227253.db2.gz PDWBAJMPCNCWOS-NSHDSACASA-N 1 0 306.175 2.338 10 0 DEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2sc3cccc(F)c3c2N)C1 ZINC000093412041 193245586 /nfs/dbraw/zinc/24/55/86/193245586.db2.gz KBYRSHJXEYGVPE-SECBINFHSA-N 1 0 307.394 2.447 10 0 DEAERO CC[NH+]1CCC(N(C)c2ncc(N)cc2Br)CC1 ZINC000093432947 193250702 /nfs/dbraw/zinc/25/07/02/193250702.db2.gz WHPBFVUDKHERJG-UHFFFAOYSA-N 1 0 313.243 2.347 10 0 DEAERO COCC[C@]1(C)C[NH+]=C(N)N1c1ccccc1Br ZINC000093382571 193240937 /nfs/dbraw/zinc/24/09/37/193240937.db2.gz IYMMQKAJGZVQCU-CYBMUJFWSA-N 1 0 312.211 2.379 10 0 DEAERO CCS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCCC1=O ZINC000093493697 193260105 /nfs/dbraw/zinc/26/01/05/193260105.db2.gz FELOVPCGWIBNDV-GJZGRUSLSA-N 1 0 315.479 2.425 10 0 DEAERO CCC[NH2+][C@@H]1CCC[C@H]1CCS(=O)(=O)C1CCOCC1 ZINC000093624061 193275412 /nfs/dbraw/zinc/27/54/12/193275412.db2.gz BYUPEMPLOWDDTK-DZGCQCFKSA-N 1 0 303.468 2.139 10 0 DEAERO CC[NH2+][C@]1(CO)CCC[C@H]1CCSc1nnc(C)s1 ZINC000093622997 193275821 /nfs/dbraw/zinc/27/58/21/193275821.db2.gz HEAKIQYJFHTICM-AAEUAGOBSA-N 1 0 301.481 2.469 10 0 DEAERO NC(=O)[C@]1([NH3+])CCC[C@@H]1CCSc1nc2ccccc2o1 ZINC000093629331 193276206 /nfs/dbraw/zinc/27/62/06/193276206.db2.gz SATWOYNDDGBRAF-BMIGLBTASA-N 1 0 305.403 2.293 10 0 DEAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000093685006 193288725 /nfs/dbraw/zinc/28/87/25/193288725.db2.gz DJPBSGIGQVHQFQ-NSHDSACASA-N 1 0 318.343 2.033 10 0 DEAERO CC1(C)CCC[C@]([NH3+])(C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093699234 193293696 /nfs/dbraw/zinc/29/36/96/193293696.db2.gz XBWCNMRNQJZTEL-HIFRSBDPSA-N 1 0 302.484 2.346 10 0 DEAERO CC[C@H](C)SC[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C ZINC000093700496 193294323 /nfs/dbraw/zinc/29/43/23/193294323.db2.gz FOLAHBRIUVYWAB-IHRRRGAJSA-N 1 0 322.540 2.168 10 0 DEAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000093700062 193294429 /nfs/dbraw/zinc/29/44/29/193294429.db2.gz BWWPAAHHAWCWPS-DZGCQCFKSA-N 1 0 302.484 2.216 10 0 DEAERO C[NH2+]C[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093701630 193294544 /nfs/dbraw/zinc/29/45/44/193294544.db2.gz WZHRENGFGHFVLE-ZBFHGGJFSA-N 1 0 310.463 2.051 10 0 DEAERO CC(C)C[NH2+]CC1(C[C@H]2CCCN(S(C)(=O)=O)C2)CCC1 ZINC000093701622 193294572 /nfs/dbraw/zinc/29/45/72/193294572.db2.gz AHEVKYLKJFVPSL-OAHLLOKOSA-N 1 0 316.511 2.464 10 0 DEAERO CC[C@](C)(C[NH2+]C1CC1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701555 193294893 /nfs/dbraw/zinc/29/48/93/193294893.db2.gz HNZDVHPCLVJDRA-ZFWWWQNUSA-N 1 0 302.484 2.216 10 0 DEAERO CC[NH2+]C[C@H](CC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701349 193294929 /nfs/dbraw/zinc/29/49/29/193294929.db2.gz MPTPRMCNYFTOLT-HUUCEWRRSA-N 1 0 304.500 2.320 10 0 DEAERO CCC[NH2+]C[C@H](CCC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701374 193295174 /nfs/dbraw/zinc/29/51/74/193295174.db2.gz AWDLFQHSLDBZGA-HUUCEWRRSA-N 1 0 304.500 2.464 10 0 DEAERO CC[NH2+][C@H](C)CC(C)(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702356 193295622 /nfs/dbraw/zinc/29/56/22/193295622.db2.gz GBFVIXYEYSZUKY-KGLIPLIRSA-N 1 0 304.500 2.462 10 0 DEAERO C[C@@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)C[NH2+]C(C)(C)C ZINC000093702321 193295734 /nfs/dbraw/zinc/29/57/34/193295734.db2.gz XSLUYQZSUZUQFJ-UONOGXRCSA-N 1 0 304.500 2.462 10 0 DEAERO CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H]([N@H+](CC)CCOCC)C1 ZINC000093755072 193299297 /nfs/dbraw/zinc/29/92/97/193299297.db2.gz HVZBWJRDHFOUOS-GOEBONIOSA-N 1 0 300.443 2.110 10 0 DEAERO COC(=O)[C@]1(N)CCC[C@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093756632 193301589 /nfs/dbraw/zinc/30/15/89/193301589.db2.gz UZILLEWMBMZCBN-GVXVVHGQSA-N 1 0 308.344 2.074 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2cc(F)ccc2F)C1 ZINC000093778265 193306728 /nfs/dbraw/zinc/30/67/28/193306728.db2.gz FCCMUELAMPUOOJ-HZMBPMFUSA-N 1 0 300.374 2.443 10 0 DEAERO Cc1nn([C@H]2CCC[C@]([NH3+])(CO)C2)c(C)c1Br ZINC000093783886 193307477 /nfs/dbraw/zinc/30/74/77/193307477.db2.gz BBZQIGOGFWNDEQ-CMPLNLGQSA-N 1 0 302.216 2.067 10 0 DEAERO OC[C@@]1([NH2+]C2CC2)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000093784221 193307745 /nfs/dbraw/zinc/30/77/45/193307745.db2.gz URDUFJAIPPMPKA-CHWSQXEVSA-N 1 0 314.227 2.244 10 0 DEAERO [NH3+][C@@]1(CO)CCC[C@H](Oc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000093785829 193307801 /nfs/dbraw/zinc/30/78/01/193307801.db2.gz QUOGVPIXSNDKBE-IYQDAUBNSA-N 1 0 311.250 2.393 10 0 DEAERO C[NH2+][C@H](C)c1ccc(NS(=O)(=O)CCOC(C)C)cc1 ZINC000093665829 193287223 /nfs/dbraw/zinc/28/72/23/193287223.db2.gz ULSUJVHDMCMNDK-GFCCVEGCSA-N 1 0 300.424 2.134 10 0 DEAERO OCC1(Cc2cc(F)cc(Br)c2)CC[NH2+]CC1 ZINC000094004683 193337606 /nfs/dbraw/zinc/33/76/06/193337606.db2.gz YZOZVMWWDFQAEE-UHFFFAOYSA-N 1 0 302.187 2.493 10 0 DEAERO CN(CC(=O)Nc1ccc(Cl)cc1F)CC(C)(C)C[NH3+] ZINC000093874217 193322474 /nfs/dbraw/zinc/32/24/74/193322474.db2.gz UCFFUDJMVRWQHE-UHFFFAOYSA-N 1 0 301.793 2.334 10 0 DEAERO C[NH2+][C@H](c1cccc(Cl)c1Cl)[C@H]1CN(C)CCN1C ZINC000093894343 193323819 /nfs/dbraw/zinc/32/38/19/193323819.db2.gz JGHNXRHYDVPCPF-TZMCWYRMSA-N 1 0 302.249 2.500 10 0 DEAERO CCC[NH2+][C@H]1CCCc2sc([C@H]3CN(C)CCN3C)nc21 ZINC000093896272 193325698 /nfs/dbraw/zinc/32/56/98/193325698.db2.gz PRMZQGUWIPVGMH-QWHCGFSZSA-N 1 0 308.495 2.438 10 0 DEAERO CC(C)c1ccc(S(=O)(=O)N(C)CC2CC[NH2+]CC2)cc1 ZINC000094023774 193339239 /nfs/dbraw/zinc/33/92/39/193339239.db2.gz HNQMZUCIWLHDRG-UHFFFAOYSA-N 1 0 310.463 2.430 10 0 DEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1cc(C)ccc1C ZINC000094023955 193339386 /nfs/dbraw/zinc/33/93/86/193339386.db2.gz UDJCAQYZGDGBSK-UHFFFAOYSA-N 1 0 310.463 2.314 10 0 DEAERO CC[C@@H](CC[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000093966308 193332357 /nfs/dbraw/zinc/33/23/57/193332357.db2.gz NLSGTNMRCDNWSV-VIFPVBQESA-N 1 0 311.179 2.173 10 0 DEAERO CC[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)[C@H]1CN(C)CCO1 ZINC000094256911 193355197 /nfs/dbraw/zinc/35/51/97/193355197.db2.gz YACAAMYQOCBWIX-CHWSQXEVSA-N 1 0 311.495 2.292 10 0 DEAERO CCC[NH2+][C@H]1[C@@H](S(=O)(=O)CCCOC)CCCC1(C)C ZINC000094281916 193356235 /nfs/dbraw/zinc/35/62/35/193356235.db2.gz WXWWIAUJHJWTLX-KBPBESRZSA-N 1 0 305.484 2.385 10 0 DEAERO CC1(C)CCCC[C@]1(C[NH3+])N1CCN(CC(F)(F)F)CC1 ZINC000094280251 193356403 /nfs/dbraw/zinc/35/64/03/193356403.db2.gz MBSJFNSKIHUKJV-CQSZACIVSA-N 1 0 307.404 2.464 10 0 DEAERO CCC[NH2+]C[C@@]1(CN(C)CCS(C)(=O)=O)CCC[C@@H](C)C1 ZINC000094300424 193358602 /nfs/dbraw/zinc/35/86/02/193358602.db2.gz QSJSOSKQEZSQAJ-HZPDHXFCSA-N 1 0 318.527 2.159 10 0 DEAERO CC(C)NC(=O)[C@@H](C)Oc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350117 193363003 /nfs/dbraw/zinc/36/30/03/193363003.db2.gz VOBZOLQFASPGOH-VHSXEESVSA-N 1 0 300.349 2.146 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(F)c(OCCS(=O)(=O)CC)c(F)c1 ZINC000094350615 193364050 /nfs/dbraw/zinc/36/40/50/193364050.db2.gz CAOUXNSFTWOABB-LLVKDONJSA-N 1 0 321.389 2.058 10 0 DEAERO O=S(=O)(CC1CCCCC1)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094024214 193340163 /nfs/dbraw/zinc/34/01/63/193340163.db2.gz FSCPTQIODGTFML-UHFFFAOYSA-N 1 0 314.495 2.361 10 0 DEAERO CS(=O)(=O)Nc1ccc(NC2CCC([NH3+])CC2)cc1Cl ZINC000094081206 193344342 /nfs/dbraw/zinc/34/43/42/193344342.db2.gz VBZMNWBAXWUVRR-UHFFFAOYSA-N 1 0 317.842 2.393 10 0 DEAERO CN1CCO[C@H](c2nc(-c3ccccc3)c(CC[NH3+])s2)C1 ZINC000094198737 193348627 /nfs/dbraw/zinc/34/86/27/193348627.db2.gz SJLDFBIZVUYWEU-ZDUSSCGKSA-N 1 0 303.431 2.314 10 0 DEAERO CCN(CC)C(C)(C)[C@H]([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642875 193388998 /nfs/dbraw/zinc/38/89/98/193388998.db2.gz CCMHUYSUPUJTDI-HZSPNIEDSA-N 1 0 304.500 2.038 10 0 DEAERO CC(C)(C)[NH2+]Cc1cnn([C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000094644012 193389880 /nfs/dbraw/zinc/38/98/80/193389880.db2.gz ILHXQKOQNVHOER-UONOGXRCSA-N 1 0 313.467 2.300 10 0 DEAERO CC[N@H+](CCC(N)=S)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094375884 193367341 /nfs/dbraw/zinc/36/73/41/193367341.db2.gz QUKUQJZTRKWGBO-GFCCVEGCSA-N 1 0 302.509 2.429 10 0 DEAERO CCOC(OCC)[C@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 ZINC000094407977 193368088 /nfs/dbraw/zinc/36/80/88/193368088.db2.gz NIZPOQADUUYHGV-CHWSQXEVSA-N 1 0 303.468 2.405 10 0 DEAERO CCC[C@@H]1CN(CCCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094421008 193368580 /nfs/dbraw/zinc/36/85/80/193368580.db2.gz LAOHKMAKFZCCGX-OAHLLOKOSA-N 1 0 310.463 2.200 10 0 DEAERO C[C@H]1C[C@](C[NH3+])(N2CCN(c3ccccc3F)CC2)CS1 ZINC000094473347 193372860 /nfs/dbraw/zinc/37/28/60/193372860.db2.gz JWAPQTIXNAONTD-XJKSGUPXSA-N 1 0 309.454 2.171 10 0 DEAERO CCC[NH2+][C@H](c1cc(Cl)cnc1N)[C@@H]1CSCCO1 ZINC000094504390 193374817 /nfs/dbraw/zinc/37/48/17/193374817.db2.gz XTMWSOBOLCJZQG-NWDGAFQWSA-N 1 0 301.843 2.490 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@@H]1CN2CCN1CC2 ZINC000094510753 193375604 /nfs/dbraw/zinc/37/56/04/193375604.db2.gz XNNRQDIKZGKRFU-SJORKVTESA-N 1 0 307.869 2.251 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2ccc(F)cc2Br)C1 ZINC000094548654 193377847 /nfs/dbraw/zinc/37/78/47/193377847.db2.gz OHGDDRFJTXCQIJ-SCZZXKLOSA-N 1 0 315.186 2.398 10 0 DEAERO CCCN(c1nc2c(Br)cccn2n1)[C@H]1CC[NH2+]C1 ZINC000094608127 193384518 /nfs/dbraw/zinc/38/45/18/193384518.db2.gz AVGDNSXQIZXPSI-JTQLQIEISA-N 1 0 324.226 2.070 10 0 DEAERO C[C@H]([NH3+])C1CCN(c2nc3ccc(Br)cn3n2)CC1 ZINC000094608150 193384800 /nfs/dbraw/zinc/38/48/00/193384800.db2.gz GARBYXIOENKUCW-VIFPVBQESA-N 1 0 324.226 2.055 10 0 DEAERO C[C@@H]1C[NH2+]CCN1C(=O)c1c(F)cc(Br)cc1F ZINC000094716959 193393576 /nfs/dbraw/zinc/39/35/76/193393576.db2.gz ZHAAXTLGULPCED-SSDOTTSWSA-N 1 0 319.149 2.161 10 0 DEAERO C[NH2+]C1CC(c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000094724972 193393607 /nfs/dbraw/zinc/39/36/07/193393607.db2.gz RZYNYMVOOSYZHS-UHFFFAOYSA-N 1 0 305.346 2.157 10 0 DEAERO COc1ncnc2c1[nH]c(=S)n2[C@@H](CC(C)C)C[NH+](C)C ZINC000094738890 193394739 /nfs/dbraw/zinc/39/47/39/193394739.db2.gz QIZMBNJQBKKKRK-JTQLQIEISA-N 1 0 309.439 2.272 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc1 ZINC000453429536 245135006 /nfs/dbraw/zinc/13/50/06/245135006.db2.gz IKAPJWWRKGZZNX-JLJPHGGASA-N 1 0 302.418 2.369 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453577279 245193251 /nfs/dbraw/zinc/19/32/51/245193251.db2.gz HIZYHSKWJVWUAB-JTQLQIEISA-N 1 0 316.243 2.477 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)C[C@H](C)COC ZINC000097279008 193703490 /nfs/dbraw/zinc/70/34/90/193703490.db2.gz KOIZNNCALIKPMU-GXSJLCMTSA-N 1 0 318.259 2.294 10 0 DEAERO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)[nH]c2c1C(=O)CCC2 ZINC000266103255 205099020 /nfs/dbraw/zinc/09/90/20/205099020.db2.gz SITOPOPQRDDRKT-AAEUAGOBSA-N 1 0 317.433 2.397 10 0 DEAERO CCC[NH2+][C@H](CCOCC)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097312727 193707041 /nfs/dbraw/zinc/70/70/41/193707041.db2.gz WAMVVAPDHHRBNC-SOUVJXGZSA-N 1 0 305.484 2.385 10 0 DEAERO c1ccc(C[N@H+]2CC[C@H](SCCN3CCOCC3)C2)cc1 ZINC000283007557 217384236 /nfs/dbraw/zinc/38/42/36/217384236.db2.gz LERZMRXFNVSQMU-KRWDZBQOSA-N 1 0 306.475 2.326 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000020024559 182180329 /nfs/dbraw/zinc/18/03/29/182180329.db2.gz GRALERONTONVCR-VXGBXAGGSA-N 1 0 305.447 2.237 10 0 DEAERO [NH3+]Cc1ccc(F)c(S(=O)(=O)NC2CCCCCC2)c1 ZINC000020188914 182195346 /nfs/dbraw/zinc/19/53/46/182195346.db2.gz FTWQBZUFUUMJTN-UHFFFAOYSA-N 1 0 300.399 2.286 10 0 DEAERO C[C@H]1CO[C@H](C[NH3+])CN1c1ncc(Cl)cc1Br ZINC000160113194 197387144 /nfs/dbraw/zinc/38/71/44/197387144.db2.gz IOSOUTGEYUNJRY-IONNQARKSA-N 1 0 320.618 2.050 10 0 DEAERO CC(C)C[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(=O)Nc1ccccc1 ZINC000022067442 182307662 /nfs/dbraw/zinc/30/76/62/182307662.db2.gz LODYUHYUFPJMPF-GJZGRUSLSA-N 1 0 305.422 2.139 10 0 in-vitro DEAERO CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000267504773 206110743 /nfs/dbraw/zinc/11/07/43/206110743.db2.gz HCJCQKBRHCQDTJ-HOCLYGCPSA-N 1 0 318.417 2.209 10 0 DEAERO C[C@@H]1CN(C(=O)c2occc2Br)C[C@H]1[NH+](C)C ZINC000267582002 206156362 /nfs/dbraw/zinc/15/63/62/206156362.db2.gz LNOJWPOGRLSKIX-PSASIEDQSA-N 1 0 301.184 2.064 10 0 DEAERO Cc1c([C@H]2[C@H](C[NH2+][C@H]3CCC[C@@H]3C)CC(=O)N2C)cnn1C ZINC000330252515 291599118 /nfs/dbraw/zinc/59/91/18/291599118.db2.gz IJSMQRQBTVMDCY-MOWSHJCCSA-N 1 0 304.438 2.026 10 0 DEAERO [NH3+]CCc1nnc2n1-c1ccccc1C(c1ccccc1)=NC2 ZINC000027322964 182469072 /nfs/dbraw/zinc/46/90/72/182469072.db2.gz HMLLMSKLAANJGP-UHFFFAOYSA-N 1 0 303.369 2.120 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NCCCOCC2CC2)CC1 ZINC000157153329 291627367 /nfs/dbraw/zinc/62/73/67/291627367.db2.gz UOJWARQCGIFVQH-UHFFFAOYSA-N 1 0 311.470 2.223 10 0 DEAERO C[C@H](C[NH2+]Cc1ccc(F)c(Br)c1)[S@](C)=O ZINC000159809468 197366575 /nfs/dbraw/zinc/36/65/75/197366575.db2.gz MXCUFABDGUYPCP-VPTHRUTESA-N 1 0 308.216 2.445 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(Cl)cc3cccnc32)C1 ZINC000040632681 183111585 /nfs/dbraw/zinc/11/15/85/183111585.db2.gz WLPWKEAWFCZMEH-DGCLKSJQSA-N 1 0 305.765 2.204 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000040614858 183108640 /nfs/dbraw/zinc/10/86/40/183108640.db2.gz VKPGRWIDFKDRPM-SJORKVTESA-N 1 0 320.433 2.373 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(C)cc2Br)C1 ZINC000040629741 183110926 /nfs/dbraw/zinc/11/09/26/183110926.db2.gz KLWSIRSZASJVAD-CABZTGNLSA-N 1 0 313.195 2.073 10 0 DEAERO CCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(F)cc1 ZINC000040748000 183128793 /nfs/dbraw/zinc/12/87/93/183128793.db2.gz CKKPAGYBTPLCIL-PBWFPOADSA-N 1 0 312.410 2.119 10 0 DEAERO CC[NH2+][C@H](C)c1c(F)cccc1Sc1nc(N)cc(=O)[nH]1 ZINC000041027259 183157804 /nfs/dbraw/zinc/15/78/04/183157804.db2.gz JCUHFTHNYDGPFV-MRVPVSSYSA-N 1 0 308.382 2.313 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)CCNC(C)=O)c1ccc(C)cc1 ZINC000041309226 183185209 /nfs/dbraw/zinc/18/52/09/183185209.db2.gz IKXJEMPAQLNOAY-QGZVFWFLSA-N 1 0 319.449 2.020 10 0 DEAERO COc1ccc2c(c1)[nH+]c(C)cc2N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000041478767 183193808 /nfs/dbraw/zinc/19/38/08/183193808.db2.gz CAZZPXPNCTYIBD-GFCCVEGCSA-N 1 0 320.414 2.175 10 0 DEAERO COC[C@@H](Cc1ccccc1)[NH2+]CCNC(=O)c1ccccc1 ZINC000162531241 291682646 /nfs/dbraw/zinc/68/26/46/291682646.db2.gz ZSOBGHFFTUGFEM-GOSISDBHSA-N 1 0 312.413 2.264 10 0 DEAERO Cc1cccc(C)c1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000041664545 183213314 /nfs/dbraw/zinc/21/33/14/183213314.db2.gz DQCVTIXVRFQLML-HNNXBMFYSA-N 1 0 317.433 2.233 10 0 DEAERO CCc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000041665290 183213984 /nfs/dbraw/zinc/21/39/84/183213984.db2.gz VDVPDLLEEGDXJE-AWEZNQCLSA-N 1 0 317.433 2.178 10 0 DEAERO CCOC(=O)CCNc1c(C(N)=S)c[nH+]c2ccccc21 ZINC000041681135 183216345 /nfs/dbraw/zinc/21/63/45/183216345.db2.gz RTFNFSHANZVXIB-UHFFFAOYSA-N 1 0 303.387 2.234 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)Cc2ccc(Cl)cc2Cl)C1 ZINC000042276956 183249230 /nfs/dbraw/zinc/24/92/30/183249230.db2.gz XGQSAZQUGSJYGJ-WCQYABFASA-N 1 0 317.216 2.329 10 0 DEAERO CC(C)[NH2+]Cc1cccc(Br)c1OCCC(N)=O ZINC000042411865 183265839 /nfs/dbraw/zinc/26/58/39/183265839.db2.gz VYLJSJMDQCOOBT-UHFFFAOYSA-N 1 0 315.211 2.201 10 0 DEAERO CC(C)N(CC[NH3+])CCOc1cccc(Br)c1 ZINC000042428505 183269590 /nfs/dbraw/zinc/26/95/90/183269590.db2.gz IVQQSXKLEKUWAR-UHFFFAOYSA-N 1 0 301.228 2.497 10 0 DEAERO CC[NH2+]Cc1c(N(CCO)C(CC)CC)nc2sccn12 ZINC000042511978 183278683 /nfs/dbraw/zinc/27/86/83/183278683.db2.gz VLBSNVZTPCKNSY-UHFFFAOYSA-N 1 0 310.467 2.493 10 0 DEAERO CC[NH2+]Cc1c(N(CCO)C2CCCC2)nc2sccn12 ZINC000042512202 183278776 /nfs/dbraw/zinc/27/87/76/183278776.db2.gz HBGADGCYGZJJLV-UHFFFAOYSA-N 1 0 308.451 2.247 10 0 DEAERO COC[C@@H](O)C[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000042514072 183278829 /nfs/dbraw/zinc/27/88/29/183278829.db2.gz BWBZLJRZLOAUQT-JTQLQIEISA-N 1 0 306.175 2.027 10 0 DEAERO COCC[N@@H+](CC(=O)Nc1cc(N)ccc1Cl)CC(C)C ZINC000042367266 183260140 /nfs/dbraw/zinc/26/01/40/183260140.db2.gz LRVTXEUYYSOHHI-UHFFFAOYSA-N 1 0 313.829 2.465 10 0 DEAERO CC(C)N(CC(F)(F)F)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000042768657 183306839 /nfs/dbraw/zinc/30/68/39/183306839.db2.gz KHTZRPGZSORQJY-UHFFFAOYSA-N 1 0 310.341 2.107 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000042609408 183290319 /nfs/dbraw/zinc/29/03/19/183290319.db2.gz RXQDASQPQYSKKO-CJNGLKHVSA-N 1 0 310.463 2.486 10 0 DEAERO C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000042609405 183290407 /nfs/dbraw/zinc/29/04/07/183290407.db2.gz VRMKSMSMLDORFY-CZUORRHYSA-N 1 0 310.463 2.486 10 0 DEAERO CS(=O)(=O)c1ccc(O[C@@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000042942552 183319872 /nfs/dbraw/zinc/31/98/72/183319872.db2.gz ZXHIKFDSZQOEPE-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Br)cc1)N1CCC[C@H](CO)C1 ZINC000042953784 183322451 /nfs/dbraw/zinc/32/24/51/183322451.db2.gz HZJMHROQHYBUFP-FZMZJTMJSA-N 1 0 313.239 2.153 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1cccc(F)c1 ZINC000042974823 183324869 /nfs/dbraw/zinc/32/48/69/183324869.db2.gz KPJNTXALIMQSJS-GXFFZTMASA-N 1 0 307.398 2.351 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(CC(N)=O)C1CCCC1 ZINC000043052479 183332765 /nfs/dbraw/zinc/33/27/65/183332765.db2.gz YCULDEVESYUEIE-ZBEGNZNMSA-N 1 0 309.841 2.458 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCC(C(N)=O)CC1 ZINC000043051057 183332884 /nfs/dbraw/zinc/33/28/84/183332884.db2.gz NEJRQMQAZHCYCB-HUUCEWRRSA-N 1 0 309.841 2.316 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CC(=O)N1CCCC1 ZINC000043052102 183333042 /nfs/dbraw/zinc/33/30/42/183333042.db2.gz DPXIIRZEMCRZRG-WBMJQRKESA-N 1 0 309.841 2.283 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)CC(=O)N1CCCC1 ZINC000043253441 183347880 /nfs/dbraw/zinc/34/78/80/183347880.db2.gz WCGXNWCUWRRZIW-IINYFYTJSA-N 1 0 315.870 2.344 10 0 DEAERO [NH3+]C[C@H](Sc1nc[nH]n1)c1cc(Br)cs1 ZINC000043290307 183351579 /nfs/dbraw/zinc/35/15/79/183351579.db2.gz UUCQELIUVZEODN-ZETCQYMHSA-N 1 0 305.226 2.421 10 0 DEAERO C[NH2+][C@H](c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000043300421 183352630 /nfs/dbraw/zinc/35/26/30/183352630.db2.gz MMIPAHJMZRJOBK-CABZTGNLSA-N 1 0 318.236 2.144 10 0 DEAERO CCOC(=O)[C@@H](NCC[NH+](C)C)c1ccc(Cl)c(F)c1 ZINC000043391163 183358760 /nfs/dbraw/zinc/35/87/60/183358760.db2.gz ZJVNGXZZTDTQGC-ZDUSSCGKSA-N 1 0 302.777 2.235 10 0 DEAERO [NH3+]C[C@H](c1ccccc1Br)N1CCC(CO)CC1 ZINC000043091148 183335950 /nfs/dbraw/zinc/33/59/50/183335950.db2.gz LHIYLZYBDXJNTF-CQSZACIVSA-N 1 0 313.239 2.153 10 0 DEAERO C[C@H](C[NH2+]C[C@H](O)c1cccc(Br)c1)N(C)C ZINC000044317060 183405207 /nfs/dbraw/zinc/40/52/07/183405207.db2.gz HLDTZMUDMFPEIB-MFKMUULPSA-N 1 0 301.228 2.022 10 0 DEAERO Cc1nc[nH]c1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000284497593 218052589 /nfs/dbraw/zinc/05/25/89/218052589.db2.gz CGJZOGMJQAFHHW-CZUORRHYSA-N 1 0 312.417 2.102 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2nc(C(C)(C)C)cs2)C1 ZINC000105295537 194094906 /nfs/dbraw/zinc/09/49/06/194094906.db2.gz QIMCYUJOLZDCRA-GFCCVEGCSA-N 1 0 324.494 2.329 10 0 DEAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1CC ZINC000105838019 194144079 /nfs/dbraw/zinc/14/40/79/194144079.db2.gz SBFHFYLWMGJQGZ-ROUUACIJSA-N 1 0 306.450 2.153 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 ZINC000105881300 194155119 /nfs/dbraw/zinc/15/51/19/194155119.db2.gz RKYRUBKPDPYUDK-HOTGVXAUSA-N 1 0 314.433 2.090 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CC)CC)C1 ZINC000105897334 194162544 /nfs/dbraw/zinc/16/25/44/194162544.db2.gz HCIABRFJAJXSDY-GJZGRUSLSA-N 1 0 306.454 2.339 10 0 DEAERO CCCCOC(=O)CC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105909756 194166775 /nfs/dbraw/zinc/16/67/75/194166775.db2.gz CXQVQDVEGUXXDU-OAHLLOKOSA-N 1 0 320.437 2.111 10 0 DEAERO Cc1cccc(C)c1OCCN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105912461 194169864 /nfs/dbraw/zinc/16/98/64/194169864.db2.gz BLZVRLCKASVIPK-IAGOWNOFSA-N 1 0 306.450 2.069 10 0 DEAERO COCC[N@@H+]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC000106108472 194185225 /nfs/dbraw/zinc/18/52/25/194185225.db2.gz IMMWLUXKSYZMBZ-INIZCTEOSA-N 1 0 314.433 2.025 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2c(F)cccc2Cl)C[C@H]1C ZINC000106101179 194186035 /nfs/dbraw/zinc/18/60/35/194186035.db2.gz PSARJLWXPCUUCE-VXGBXAGGSA-N 1 0 300.805 2.366 10 0 DEAERO COCC[N@@H+]1CCN(Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C ZINC000106108898 194188512 /nfs/dbraw/zinc/18/85/12/194188512.db2.gz GRUDXUVGYUVTCX-INIZCTEOSA-N 1 0 314.433 2.025 10 0 DEAERO CC(C)(C)[C@H]([NH2+]Cc1cc(Cl)cc2c1OCOC2)C(N)=O ZINC000106445428 194214882 /nfs/dbraw/zinc/21/48/82/194214882.db2.gz XZIKNQSCNVSSJV-CYBMUJFWSA-N 1 0 312.797 2.196 10 0 DEAERO COc1ccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106454531 194215766 /nfs/dbraw/zinc/21/57/66/194215766.db2.gz CZQVDDUDCUYCMK-SFHVURJKSA-N 1 0 312.413 2.484 10 0 DEAERO CN(C[C@@H]1CCCO1)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000048947272 183698666 /nfs/dbraw/zinc/69/86/66/183698666.db2.gz GOLXZBZNQPAXQE-AAEUAGOBSA-N 1 0 312.797 2.179 10 0 DEAERO Clc1ccc(Cl)c(-c2nc(CN3CC[NH2+]CC3)no2)c1 ZINC000109473248 194267733 /nfs/dbraw/zinc/26/77/33/194267733.db2.gz HHEHSDKVZJIXIB-UHFFFAOYSA-N 1 0 313.188 2.449 10 0 DEAERO COC[C@H]([NH3+])Cc1nc(-c2ccc(Br)cc2)no1 ZINC000109503318 194270080 /nfs/dbraw/zinc/27/00/80/194270080.db2.gz JEGHOIQHDPJINC-SNVBAGLBSA-N 1 0 312.167 2.015 10 0 DEAERO C[C@H](NC(=O)CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000051359672 183825584 /nfs/dbraw/zinc/82/55/84/183825584.db2.gz YQPPMOITNOQVOR-MELADBBJSA-N 1 0 307.463 2.142 10 0 DEAERO COCCN(C)c1ncc(Br)cc1C[NH2+]C1CC1 ZINC000051519610 183828086 /nfs/dbraw/zinc/82/80/86/183828086.db2.gz BHAWTZLDVQKGOO-UHFFFAOYSA-N 1 0 314.227 2.179 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1ccc(OCC(=O)C2CC2)cc1 ZINC000109941060 194299220 /nfs/dbraw/zinc/29/92/20/194299220.db2.gz SXBZSBZLKDZPKE-UHFFFAOYSA-N 1 0 318.417 2.116 10 0 DEAERO CC(C)OCC[C@@H](C[NH2+]C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052952057 183882207 /nfs/dbraw/zinc/88/22/07/183882207.db2.gz DNFONMVPYZPNPJ-UONOGXRCSA-N 1 0 305.484 2.241 10 0 DEAERO CC(C)[NH2+]C[C@H](CCS(C)(=O)=O)Cc1ccccc1F ZINC000052979347 183883091 /nfs/dbraw/zinc/88/30/91/183883091.db2.gz UYVTUOUCBUFIQR-CYBMUJFWSA-N 1 0 301.427 2.417 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCNC(=O)[C@@H]1C ZINC000110655166 194347081 /nfs/dbraw/zinc/34/70/81/194347081.db2.gz UVHKUFTZCGEXFG-AUTRQRHGSA-N 1 0 301.843 2.000 10 0 DEAERO CCC[NH2+][C@H](C)c1sc(N2CCNC(=O)C2(C)C)nc1C ZINC000110664088 194347848 /nfs/dbraw/zinc/34/78/48/194347848.db2.gz XHYAPUVZLHLOCT-SNVBAGLBSA-N 1 0 310.467 2.227 10 0 DEAERO CCC[NH2+][C@@H](C)c1sc(N2CCNC(=O)C2(C)C)nc1C ZINC000110664085 194347949 /nfs/dbraw/zinc/34/79/49/194347949.db2.gz XHYAPUVZLHLOCT-JTQLQIEISA-N 1 0 310.467 2.227 10 0 DEAERO CC[C@@H]1C[NH2+]CCN1c1ccccc1S(=O)(=O)C(F)(F)F ZINC000110678167 194349369 /nfs/dbraw/zinc/34/93/69/194349369.db2.gz SYKUNTCAZOENRT-SNVBAGLBSA-N 1 0 322.352 2.168 10 0 DEAERO CC[NH2+][C@H](CCN1CCS(=O)CC1)c1ccc(Cl)cc1 ZINC000053982269 183918571 /nfs/dbraw/zinc/91/85/71/183918571.db2.gz NLBFCXNBPMRLLT-OAHLLOKOSA-N 1 0 314.882 2.445 10 0 DEAERO COC(=O)CCC[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000110821577 194361100 /nfs/dbraw/zinc/36/11/00/194361100.db2.gz YZYQMCKLFZPDES-UHFFFAOYSA-N 1 0 301.770 2.400 10 0 DEAERO C[C@H]1CN(c2ccc(C(F)(F)F)cc2C(N)=S)CC[N@@H+]1C ZINC000110755768 194357304 /nfs/dbraw/zinc/35/73/04/194357304.db2.gz NFFWBOWWCQXNHV-VIFPVBQESA-N 1 0 317.380 2.480 10 0 DEAERO CN(C(=O)c1ccc(F)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000110927206 194370172 /nfs/dbraw/zinc/37/01/72/194370172.db2.gz VDDOEIAHZIPVEM-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO CN(CC(=O)Nc1cccc2c1N=S=N2)[C@H]1CCC[NH2+]C1 ZINC000110929254 194371413 /nfs/dbraw/zinc/37/14/13/194371413.db2.gz OSCMPTRPYRNUHY-JTQLQIEISA-N 1 0 305.407 2.035 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1CN1CCS(=O)CC1 ZINC000054560222 183944903 /nfs/dbraw/zinc/94/49/03/183944903.db2.gz CNTCTUDJIQQROQ-GVDBMIGSSA-N 1 0 314.539 2.491 10 0 DEAERO CCCN(c1ccc(S(=O)(=O)CC)cc1)[C@H]1CCC[NH2+]C1 ZINC000110948200 194373647 /nfs/dbraw/zinc/37/36/47/194373647.db2.gz RFEOEPDAKBYDOV-HNNXBMFYSA-N 1 0 310.463 2.449 10 0 DEAERO CCOCC[N@H+](CC)CCCC[C@](C)(NC)C(=O)OCC ZINC000111121843 194392230 /nfs/dbraw/zinc/39/22/30/194392230.db2.gz XMHYWRYFHGASTF-INIZCTEOSA-N 1 0 302.459 2.056 10 0 DEAERO CNc1ccc(C(=O)N(C)CC[NH+](C)C)cc1C(F)(F)F ZINC000111151611 194396849 /nfs/dbraw/zinc/39/68/49/194396849.db2.gz XLAIQPYKLMVZDG-UHFFFAOYSA-N 1 0 303.328 2.381 10 0 DEAERO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000056492091 184013770 /nfs/dbraw/zinc/01/37/70/184013770.db2.gz CTEFURTWYWHNGK-HOCLYGCPSA-N 1 0 320.408 2.458 10 0 DEAERO Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)no1 ZINC000056347302 184011269 /nfs/dbraw/zinc/01/12/69/184011269.db2.gz JHFQDEQRDMJBLY-AWEZNQCLSA-N 1 0 302.378 2.277 10 0 DEAERO CC[NH2+][C@H]1CCCC[C@H]1CN1CCN(c2nccs2)CC1 ZINC000060743421 184155457 /nfs/dbraw/zinc/15/54/57/184155457.db2.gz XXANTIFXPYCVTI-GJZGRUSLSA-N 1 0 308.495 2.433 10 0 DEAERO CC[NH2+][C@@H]1CCCC[C@@H]1CN1CCN(c2nccs2)CC1 ZINC000060743415 184155469 /nfs/dbraw/zinc/15/54/69/184155469.db2.gz XXANTIFXPYCVTI-HUUCEWRRSA-N 1 0 308.495 2.433 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000061235121 184166657 /nfs/dbraw/zinc/16/66/57/184166657.db2.gz PMYJJWPBNCMRNQ-NSHDSACASA-N 1 0 300.349 2.492 10 0 DEAERO C[C@@H](c1ccccc1Cl)N(C)C(=O)CN1CCC[NH2+]CC1 ZINC000061272109 184167129 /nfs/dbraw/zinc/16/71/29/184167129.db2.gz LECXJTHZVFDAFV-ZDUSSCGKSA-N 1 0 309.841 2.155 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000061270422 184167237 /nfs/dbraw/zinc/16/72/37/184167237.db2.gz RROCBSLOAMOBPA-SECBINFHSA-N 1 0 320.361 2.010 10 0 DEAERO COCC[N@H+](C)CCNc1ccc(Br)cc1N ZINC000061378017 184169341 /nfs/dbraw/zinc/16/93/41/184169341.db2.gz QKHMDLVPEOINLJ-UHFFFAOYSA-N 1 0 302.216 2.021 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1ccc(F)cc1 ZINC000061594190 184176272 /nfs/dbraw/zinc/17/62/72/184176272.db2.gz WVNDWYHDWZVPEV-RYUDHWBXSA-N 1 0 310.398 2.301 10 0 DEAERO CCCC(CCC)(C(N)=S)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061646163 184181027 /nfs/dbraw/zinc/18/10/27/184181027.db2.gz IEDWNPNKPLGAOF-CYBMUJFWSA-N 1 0 313.511 2.412 10 0 DEAERO CCC[NH2+][C@@](C)(C(N)=O)c1ccc(F)c(Br)c1 ZINC000061689295 184183007 /nfs/dbraw/zinc/18/30/07/184183007.db2.gz UIBRLIHSVJPXSU-GFCCVEGCSA-N 1 0 303.175 2.288 10 0 DEAERO C[NH2+][C@H]1CCN(c2cc(Br)ccc2Cl)C1=O ZINC000061691688 184183084 /nfs/dbraw/zinc/18/30/84/184183084.db2.gz MISLSECCKGPAGK-VIFPVBQESA-N 1 0 303.587 2.427 10 0 DEAERO C[C@H](CC(N)=O)C[C@H]([NH3+])c1cc2c(cc1Cl)OCCCO2 ZINC000061830311 184188954 /nfs/dbraw/zinc/18/89/54/184188954.db2.gz LXGLRGVYGQQIFM-CABZTGNLSA-N 1 0 312.797 2.403 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)NCc2ccccc2C[NH3+])c1 ZINC000061841304 184189398 /nfs/dbraw/zinc/18/93/98/184189398.db2.gz JCBAHDYNSJRXSZ-UHFFFAOYSA-N 1 0 308.378 2.071 10 0 DEAERO Cn1cc(Br)cc1C(=O)NCc1ccccc1C[NH3+] ZINC000061840960 184189501 /nfs/dbraw/zinc/18/95/01/184189501.db2.gz BSNZEPBVUZEWLC-UHFFFAOYSA-N 1 0 322.206 2.176 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)NCC[C@H](C)c1ccccc1 ZINC000061911537 184195343 /nfs/dbraw/zinc/19/53/43/184195343.db2.gz BADLUXBJKRXPMZ-HNNXBMFYSA-N 1 0 312.479 2.488 10 0 DEAERO C[C@@H]([C@H]([NH3+])c1ccccc1)N1CCN(CC(F)(F)F)CC1 ZINC000061941119 184197336 /nfs/dbraw/zinc/19/73/36/184197336.db2.gz XZULCUSBCSEWFZ-JSGCOSHPSA-N 1 0 301.356 2.255 10 0 DEAERO C[N@H+](CCn1c(N)nc2cc(Br)ccc21)C1CC1 ZINC000062010464 184201233 /nfs/dbraw/zinc/20/12/33/184201233.db2.gz HMWNHACJJTVNNN-UHFFFAOYSA-N 1 0 309.211 2.475 10 0 DEAERO COC(=O)CC[C@@H]([NH3+])Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000061893227 184193169 /nfs/dbraw/zinc/19/31/69/184193169.db2.gz OJHVPEFFOHOYTI-LLVKDONJSA-N 1 0 313.781 2.324 10 0 DEAERO COCCN1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000062210258 184220702 /nfs/dbraw/zinc/22/07/02/184220702.db2.gz RIBLIBKEOYYMCA-YPMHNXCESA-N 1 0 303.189 2.241 10 0 DEAERO CC(C)N1C(=O)CC[C@@H]([NH3+])[C@@H]1c1ccc(Br)o1 ZINC000062211598 184221752 /nfs/dbraw/zinc/22/17/52/184221752.db2.gz LXJQOPFMWPHTAJ-PRHODGIISA-N 1 0 301.184 2.441 10 0 DEAERO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1O[C@@H](C)C(N)=O ZINC000062727828 184250931 /nfs/dbraw/zinc/25/09/31/184250931.db2.gz CFOGUTKKOSWWGC-JTQLQIEISA-N 1 0 314.813 2.347 10 0 DEAERO CC(C)C[NH2+]Cc1c(N2CCC(O)CC2)nc2sccn12 ZINC000062734668 184251628 /nfs/dbraw/zinc/25/16/28/184251628.db2.gz RYMCRFXHIRAMQA-UHFFFAOYSA-N 1 0 308.451 2.103 10 0 DEAERO CCC1(C)CCN(S(=O)(=O)c2ccc(C[NH3+])s2)CC1 ZINC000062960044 184262292 /nfs/dbraw/zinc/26/22/92/184262292.db2.gz RZHNSWWEDOIXTN-UHFFFAOYSA-N 1 0 302.465 2.408 10 0 DEAERO CC(C)C[NH2+]Cc1c(Cl)cccc1N1CCNC(=O)CC1 ZINC000062738459 184251791 /nfs/dbraw/zinc/25/17/91/184251791.db2.gz GKXVHOCKXMUWNC-UHFFFAOYSA-N 1 0 309.841 2.412 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCCS(=O)(=O)CC ZINC000062746904 184251946 /nfs/dbraw/zinc/25/19/46/184251946.db2.gz FKKNUUQMTFNOQB-NSHDSACASA-N 1 0 303.399 2.310 10 0 DEAERO CS(=O)(=O)c1ccc(N2CC[NH2+]Cc3ccccc32)cc1 ZINC000062819156 184254188 /nfs/dbraw/zinc/25/41/88/184254188.db2.gz ZMRSDPCLMZHTMV-UHFFFAOYSA-N 1 0 302.399 2.331 10 0 DEAERO Cn1cc(Br)cc1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000062837842 184255786 /nfs/dbraw/zinc/25/57/86/184255786.db2.gz HRIYTFSTZAMVKP-GFCCVEGCSA-N 1 0 322.206 2.217 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)C2(C)CC[NH2+]CC2)c1 ZINC000062840220 184255791 /nfs/dbraw/zinc/25/57/91/184255791.db2.gz YICOKDWTCUHGRW-UHFFFAOYSA-N 1 0 309.797 2.028 10 0 DEAERO CC[C@]1(C(=O)Nc2cc(C(N)=O)ccc2Cl)CCC[NH2+]C1 ZINC000062854828 184256371 /nfs/dbraw/zinc/25/63/71/184256371.db2.gz YKJGPVHRSDPXFQ-HNNXBMFYSA-N 1 0 309.797 2.157 10 0 DEAERO CC[C@@]1(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCC[NH2+]C1 ZINC000062855891 184256644 /nfs/dbraw/zinc/25/66/44/184256644.db2.gz GKOXXZPJPBPDDK-OAHLLOKOSA-N 1 0 309.797 2.157 10 0 DEAERO COC(=O)COc1ccc(C[NH2+]C(C)C)cc1Br ZINC000062701947 184247934 /nfs/dbraw/zinc/24/79/34/184247934.db2.gz RKKONEBCFAOTFG-UHFFFAOYSA-N 1 0 316.195 2.499 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1 ZINC000063213135 184278494 /nfs/dbraw/zinc/27/84/94/184278494.db2.gz AEOZBSQHZQSLHR-CHWSQXEVSA-N 1 0 302.827 2.278 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@H]2[NH3+])s1 ZINC000063214090 184278964 /nfs/dbraw/zinc/27/89/64/184278964.db2.gz IFQKPKNTVCYKSV-NEPJUHHUSA-N 1 0 302.465 2.249 10 0 DEAERO C[NH+](C)[C@H]1CCN(CCNc2ccccc2Br)C1 ZINC000062974110 184263373 /nfs/dbraw/zinc/26/33/73/184263373.db2.gz LIUUQYUXISXZLW-LBPRGKRZSA-N 1 0 312.255 2.497 10 0 DEAERO C[NH+](C)[C@@H]1CCN(CCOc2cccc(Br)c2)C1 ZINC000062967770 184263732 /nfs/dbraw/zinc/26/37/32/184263732.db2.gz KOXXCYQPGVBFPK-CYBMUJFWSA-N 1 0 313.239 2.464 10 0 DEAERO CCNc1nc(CN2CC[C@H]([NH+](C)C)C2)nc2sccc21 ZINC000062969321 184263850 /nfs/dbraw/zinc/26/38/50/184263850.db2.gz AMHQZSLKYQEWBG-NSHDSACASA-N 1 0 305.451 2.259 10 0 DEAERO CCCNc1ncc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000062984787 184264901 /nfs/dbraw/zinc/26/49/01/184264901.db2.gz HKFLLRJGYHAPBV-GFCCVEGCSA-N 1 0 310.829 2.333 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(OCCCS(C)(=O)=O)c(OC)c1 ZINC000063014359 184266495 /nfs/dbraw/zinc/26/64/95/184266495.db2.gz PATKISBSNLLVFM-GFCCVEGCSA-N 1 0 315.435 2.179 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000063016754 184266981 /nfs/dbraw/zinc/26/69/81/184266981.db2.gz JYWCBZYUXMQIOW-ZDUSSCGKSA-N 1 0 315.435 2.179 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(Cl)ccc1OCCCS(C)(=O)=O ZINC000063017549 184267066 /nfs/dbraw/zinc/26/70/66/184267066.db2.gz KMGMLVIUGQLMTN-ZDUSSCGKSA-N 1 0 319.854 2.433 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)Cc1cccc(OC)c1 ZINC000063017072 184267119 /nfs/dbraw/zinc/26/71/19/184267119.db2.gz XTRIOOUKXJDGLI-HNNXBMFYSA-N 1 0 313.463 2.431 10 0 DEAERO CN(CC[NH+]1CCCC1)c1cc(Br)ccc1CO ZINC000063052326 184268725 /nfs/dbraw/zinc/26/87/25/184268725.db2.gz LJOWJNLWGFDIAA-UHFFFAOYSA-N 1 0 313.239 2.473 10 0 DEAERO C[C@H](CC[NH3+])N(C)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000063086566 184269879 /nfs/dbraw/zinc/26/98/79/184269879.db2.gz QVHXKUSSUQGSBF-SECBINFHSA-N 1 0 310.341 2.154 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1C ZINC000063168147 184275553 /nfs/dbraw/zinc/27/55/53/184275553.db2.gz SWEFMIOHQDHKIZ-LBPRGKRZSA-N 1 0 316.854 2.411 10 0 DEAERO C[C@H]([NH3+])CCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000063171550 184276102 /nfs/dbraw/zinc/27/61/02/184276102.db2.gz NJXVDDQITGFAML-ZETCQYMHSA-N 1 0 314.304 2.268 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)ccc1F ZINC000063172371 184276166 /nfs/dbraw/zinc/27/61/66/184276166.db2.gz TWUZOUFGTKODIE-MNOVXSKESA-N 1 0 301.159 2.198 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000063175983 184276634 /nfs/dbraw/zinc/27/66/34/184276634.db2.gz JUUCLPUXPDXWMJ-QWRGUYRKSA-N 1 0 309.218 2.152 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(Br)c[nH]1 ZINC000063192929 184277027 /nfs/dbraw/zinc/27/70/27/184277027.db2.gz CKZOKGPUPIVXIK-KCJUWKMLSA-N 1 0 300.200 2.119 10 0 DEAERO CC1=NN(c2ccc(C(=O)N3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000063734880 184287368 /nfs/dbraw/zinc/28/73/68/184287368.db2.gz SFLIHVNKLJKISP-UHFFFAOYSA-N 1 0 314.433 2.439 10 0 DEAERO COCCc1nnc(C2CC[NH+](Cc3cccs3)CC2)[nH]1 ZINC000065287341 184322628 /nfs/dbraw/zinc/32/26/28/184322628.db2.gz SPEJHFCSOGTLGL-UHFFFAOYSA-N 1 0 306.435 2.435 10 0 DEAERO CC(C)[NH2+]CC(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000066215593 184397081 /nfs/dbraw/zinc/39/70/81/184397081.db2.gz SFCWNOYMHKENDD-UHFFFAOYSA-N 1 0 301.346 2.468 10 0 DEAERO CC[C@H](C)NC(=O)c1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000066212120 184397087 /nfs/dbraw/zinc/39/70/87/184397087.db2.gz ZRBVJBSMCXEYIZ-ZDUSSCGKSA-N 1 0 305.422 2.495 10 0 DEAERO CCCC[NH2+]CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000066213909 184397113 /nfs/dbraw/zinc/39/71/13/184397113.db2.gz AUMHKZANDLUNLF-UHFFFAOYSA-N 1 0 305.422 2.497 10 0 DEAERO C[NH2+]CC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000066225857 184398102 /nfs/dbraw/zinc/39/81/02/184398102.db2.gz YONIZYDAVLPGQM-UHFFFAOYSA-N 1 0 311.385 2.416 10 0 DEAERO CN1c2ccc(CN3CCC[N@@H+](C4CC4)CC3)cc2CCC1=O ZINC000186921625 207368538 /nfs/dbraw/zinc/36/85/38/207368538.db2.gz VMGFEGXZFWINLJ-UHFFFAOYSA-N 1 0 313.445 2.266 10 0 DEAERO CCC[NH2+][C@@](C)(C[C@@H](C)n1ccc(C(F)(F)F)n1)C(N)=O ZINC000068649342 184496290 /nfs/dbraw/zinc/49/62/90/184496290.db2.gz BGKWISJYZYRGKM-SKDRFNHKSA-N 1 0 306.332 2.097 10 0 DEAERO c1nc(N2CCCC2)ncc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000537635068 285008989 /nfs/dbraw/zinc/00/89/89/285008989.db2.gz PUFNLMCUWUJIKB-GOSISDBHSA-N 1 0 316.449 2.469 10 0 DEAERO COc1cc(OC)cc([C@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000119788877 195036816 /nfs/dbraw/zinc/03/68/16/195036816.db2.gz OZSDTCAOZVYYKJ-GUYCJALGSA-N 1 0 318.417 2.162 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccsc3)C2)C1 ZINC000119733371 195027467 /nfs/dbraw/zinc/02/74/67/195027467.db2.gz OIPGEKAFAWMPRD-CABCVRRESA-N 1 0 323.462 2.315 10 0 DEAERO COCOc1ccc(OC)cc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000120010169 195080730 /nfs/dbraw/zinc/08/07/30/195080730.db2.gz NZNQCEZKNRSUMP-BBRMVZONSA-N 1 0 309.406 2.319 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)COc1ccc(F)c(Cl)c1 ZINC000539417296 285076896 /nfs/dbraw/zinc/07/68/96/285076896.db2.gz OUYYZHHXQKSPKW-UHFFFAOYSA-N 1 0 302.777 2.268 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)cc1O ZINC000539595297 285081107 /nfs/dbraw/zinc/08/11/07/285081107.db2.gz UITHWGNEQIRDSR-UHFFFAOYSA-N 1 0 304.312 2.435 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000261544204 285107530 /nfs/dbraw/zinc/10/75/30/285107530.db2.gz IOTWFWFTCLDYSW-WBVHZDCISA-N 1 0 303.450 2.237 10 0 DEAERO C[NH2+][C@H](CSc1nc2cc(OC)ccc2[nH]1)[C@@H]1CCOC1 ZINC000159261501 197340334 /nfs/dbraw/zinc/34/03/34/197340334.db2.gz RVMTULSUOLUMPM-QMTHXVAHSA-N 1 0 307.419 2.288 10 0 DEAERO C[C@H]1C[NH2+][C@](C)(c2ccccc2)CN1C1CCS(=O)CC1 ZINC000159207483 197336485 /nfs/dbraw/zinc/33/64/85/197336485.db2.gz HEJJNXQGGIEEJR-GGXMVYKUSA-N 1 0 306.475 2.107 10 0 DEAERO CC(C)C[C@H]1CN(C2CCS(=O)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000159195973 197334743 /nfs/dbraw/zinc/33/47/43/197334743.db2.gz MDUDUJYFNNEYSF-DQLYFJKKSA-N 1 0 300.512 2.242 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000159110167 197328457 /nfs/dbraw/zinc/32/84/57/197328457.db2.gz ADAKGVOFVKZMRP-LLVKDONJSA-N 1 0 306.284 2.278 10 0 DEAERO COc1cc2c(cc1[C@@H](C[NH3+])NCC(F)(F)F)O[C@@H](C)C2 ZINC000159065787 197323316 /nfs/dbraw/zinc/32/33/16/197323316.db2.gz DMRIWGWPBVMTNT-GZMMTYOYSA-N 1 0 304.312 2.170 10 0 DEAERO C[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)cc1)C(N)=[NH2+] ZINC000159035989 197320693 /nfs/dbraw/zinc/32/06/93/197320693.db2.gz DKAGJEZLBKPYNP-SSDOTTSWSA-N 1 0 304.272 2.279 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000158836963 197305261 /nfs/dbraw/zinc/30/52/61/197305261.db2.gz AMDSBSAHSVKGOZ-RISCZKNCSA-N 1 0 317.838 2.128 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)c1ccccc1C)[C@@H]1CCOC1 ZINC000158829239 197304781 /nfs/dbraw/zinc/30/47/81/197304781.db2.gz WCKVQINBLONLTJ-HUUCEWRRSA-N 1 0 311.447 2.173 10 0 DEAERO COc1ccsc1[C@H](O)c1c(Cl)cnn1CC[NH+](C)C ZINC000158678263 197294254 /nfs/dbraw/zinc/29/42/54/197294254.db2.gz PSTXPDJZCLEUQJ-GFCCVEGCSA-N 1 0 315.826 2.250 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000158714546 197296547 /nfs/dbraw/zinc/29/65/47/197296547.db2.gz NSSGDZBUBRXINF-CQSZACIVSA-N 1 0 321.469 2.039 10 0 DEAERO O=S1CCC(NC2=[NH+][C@@H](Cc3ccccc3)CS2)CC1 ZINC000158576546 197284554 /nfs/dbraw/zinc/28/45/54/197284554.db2.gz SMTJFWSTQDTTII-DMAKZNTKSA-N 1 0 308.472 2.201 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])c2cscn2)c1Br ZINC000158539124 197282019 /nfs/dbraw/zinc/28/20/19/197282019.db2.gz SDSWOFMUJHZALK-ZETCQYMHSA-N 1 0 315.240 2.444 10 0 DEAERO CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@H]1CCCC[C@H]1[NH3+] ZINC000158406347 197269400 /nfs/dbraw/zinc/26/94/00/197269400.db2.gz BLZFNXFMKQYUTC-PWSUYJOCSA-N 1 0 301.312 2.442 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccc(OC)c(OCC)c1)[NH+](C)C ZINC000158438765 197272429 /nfs/dbraw/zinc/27/24/29/197272429.db2.gz RFJAHNREVXJRTO-AWEZNQCLSA-N 1 0 308.422 2.440 10 0 DEAERO CN(C)c1nc(CN2CCC[C@@H]2C[NH+]2CCCCC2)ns1 ZINC000158177994 197250268 /nfs/dbraw/zinc/25/02/68/197250268.db2.gz PGZBLISUTPLNAH-CYBMUJFWSA-N 1 0 309.483 2.054 10 0 DEAERO O=C(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccccc1Cl ZINC000157980108 197232241 /nfs/dbraw/zinc/23/22/41/197232241.db2.gz IULXHKLTLQIOBA-QWHCGFSZSA-N 1 0 307.825 2.495 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1OC(F)F ZINC000157683905 197207561 /nfs/dbraw/zinc/20/75/61/197207561.db2.gz SVEYYBYAEQXDLA-GZMMTYOYSA-N 1 0 302.296 2.284 10 0 DEAERO COC(=O)[C@](C)(C[C@@H](C)[N@H+](C)CCOC(C)C)NC(C)C ZINC000157499764 197192356 /nfs/dbraw/zinc/19/23/56/197192356.db2.gz UVXJJCLCFKCVPW-ZBFHGGJFSA-N 1 0 302.459 2.052 10 0 DEAERO CCc1nn(C)c(C[C@@](C)(F)C[C@@H]2COCC[NH2+]2)c1Cl ZINC000157546079 197196125 /nfs/dbraw/zinc/19/61/25/197196125.db2.gz CETXVUHYOSOKHD-YGRLFVJLSA-N 1 0 303.809 2.285 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000541713488 285181144 /nfs/dbraw/zinc/18/11/44/285181144.db2.gz MBCPCIMNRFVNFY-UHFFFAOYSA-N 1 0 315.320 2.424 10 0 DEAERO Cn1nncc1[C@@H]([NH3+])c1cc(Br)ccc1Cl ZINC000157044156 197158250 /nfs/dbraw/zinc/15/82/50/197158250.db2.gz XYYMCOZQEBDUEY-JTQLQIEISA-N 1 0 301.575 2.279 10 0 DEAERO C[NH2+]CCCN(C)C(=O)c1sc2cc(C)nc(C)c2c1N ZINC000157031487 197156093 /nfs/dbraw/zinc/15/60/93/197156093.db2.gz YSQQOOPJCVPVIF-UHFFFAOYSA-N 1 0 306.435 2.177 10 0 DEAERO C[C@@](O)(Cc1ccc(Br)cc1)C[C@@H]1COCC[NH2+]1 ZINC000156909263 197149285 /nfs/dbraw/zinc/14/92/85/197149285.db2.gz ZHXGFDPHHCLFOX-ZIAGYGMSSA-N 1 0 314.223 2.121 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000189628149 533137568 /nfs/dbraw/zinc/13/75/68/533137568.db2.gz VAQZDGPKLMREKK-CYBMUJFWSA-N 1 0 320.437 2.323 10 0 DEAERO O=c1[nH]c2ccccc2n1C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000028234728 285200820 /nfs/dbraw/zinc/20/08/20/285200820.db2.gz QJCCAWADLGRXFF-SJORKVTESA-N 1 0 315.417 2.270 10 0 DEAERO CC[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1nccs1 ZINC000156677027 197133299 /nfs/dbraw/zinc/13/32/99/197133299.db2.gz AJAOBFPZCSDSRA-AAEUAGOBSA-N 1 0 308.451 2.378 10 0 DEAERO CC[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1nccs1 ZINC000156677171 197133102 /nfs/dbraw/zinc/13/31/02/197133102.db2.gz AJAOBFPZCSDSRA-WCQYABFASA-N 1 0 308.451 2.378 10 0 DEAERO C[N@@H+]1CCC[C@H](NC(=O)c2cccc(F)c2Br)C1 ZINC000156542352 197122163 /nfs/dbraw/zinc/12/21/63/197122163.db2.gz FZTMSNDYZYMIPJ-VIFPVBQESA-N 1 0 315.186 2.412 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1CCCCS1)c1ccc2c(c1)OCCO2 ZINC000156454936 197114151 /nfs/dbraw/zinc/11/41/51/197114151.db2.gz YAPTTYPKTMYYGS-UONOGXRCSA-N 1 0 309.431 2.367 10 0 DEAERO Cc1cccc(S(=O)(=O)CCC[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000156479311 197116906 /nfs/dbraw/zinc/11/69/06/197116906.db2.gz MKKSLYLZIZFNDS-GOEBONIOSA-N 1 0 311.447 2.316 10 0 DEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)NC[C@@H]2CCCCS2)c1 ZINC000156468742 197115329 /nfs/dbraw/zinc/11/53/29/197115329.db2.gz PVKLESURKRKQIB-YPMHNXCESA-N 1 0 314.476 2.270 10 0 DEAERO COC(=O)[C@H](c1cccnc1)N1CCC(OCC(C)C)CC1 ZINC000156276305 197100412 /nfs/dbraw/zinc/10/04/12/197100412.db2.gz HNTVHWVNWGNKSE-INIZCTEOSA-N 1 0 306.406 2.433 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000156258157 197099854 /nfs/dbraw/zinc/09/98/54/197099854.db2.gz CXTZBUGMFHYFFY-VHSXEESVSA-N 1 0 322.352 2.296 10 0 DEAERO CC[NH2+]CCCNC(=O)c1sc2cccc(OC)c2c1N ZINC000156172863 197091381 /nfs/dbraw/zinc/09/13/81/197091381.db2.gz CTGHISWEQKNVIM-UHFFFAOYSA-N 1 0 307.419 2.222 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1cccc(F)c1Br ZINC000155994732 197079218 /nfs/dbraw/zinc/07/92/18/197079218.db2.gz UCWTWZDYGUWZMX-IUCAKERBSA-N 1 0 315.186 2.411 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)CC[S@@](=O)c2cccs2)cc1 ZINC000155970339 197078292 /nfs/dbraw/zinc/07/82/92/197078292.db2.gz ULCXNBPYGLWBOR-FQEVSTJZSA-N 1 0 308.428 2.343 10 0 DEAERO C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[S@@](=O)c1cccs1 ZINC000155970550 197078357 /nfs/dbraw/zinc/07/83/57/197078357.db2.gz DJOVQBNJWNYJCZ-SBKAZYGRSA-N 1 0 308.428 2.342 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[S@@](=O)c1cccs1 ZINC000155967932 197077776 /nfs/dbraw/zinc/07/77/76/197077776.db2.gz JMBNHIRANBBSFH-FVINQWEUSA-N 1 0 308.428 2.342 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(-c3ccncc3)on2)C1 ZINC000155650625 197075383 /nfs/dbraw/zinc/07/53/83/197075383.db2.gz DQQZYWCEVRYIIM-DOMZBBRYSA-N 1 0 314.389 2.195 10 0 DEAERO C[C@H]1CCC[C@@]2(CSC(NC[C@@H]3CCCS3(=O)=O)=[NH+]2)C1 ZINC000155416980 197053371 /nfs/dbraw/zinc/05/33/71/197053371.db2.gz DGVPEWQYSCBBCN-OBJOEFQTSA-N 1 0 316.492 2.205 10 0 DEAERO C[C@H](C(=O)N1[C@@H](C)COC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000155100912 197021271 /nfs/dbraw/zinc/02/12/71/197021271.db2.gz QDUKQXULMKQHLP-SOUVJXGZSA-N 1 0 302.418 2.069 10 0 DEAERO COc1cc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)ccc1F ZINC000153288968 196867639 /nfs/dbraw/zinc/86/76/39/196867639.db2.gz OMEYBQJFUFNMCU-MRVPVSSYSA-N 1 0 308.275 2.163 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000120772911 195234886 /nfs/dbraw/zinc/23/48/86/195234886.db2.gz HVNSZJPKKNFQKO-INIZCTEOSA-N 1 0 319.449 2.170 10 0 DEAERO COc1ccccc1C[N@@H+]1CCOC[C@@H](CC(=O)N(C)C)[C@@H]1C ZINC000248042121 257110470 /nfs/dbraw/zinc/11/04/70/257110470.db2.gz VTIIJACDXXHLBN-GOEBONIOSA-N 1 0 320.433 2.010 10 0 DEAERO COCCN1CCO[C@@H]2CC[N@H+](Cc3cc(C)ccc3F)C[C@H]21 ZINC000247926054 257114172 /nfs/dbraw/zinc/11/41/72/257114172.db2.gz PLPQWHTWDXMQGK-QZTJIDSGSA-N 1 0 322.424 2.056 10 0 DEAERO COc1ncccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC1 ZINC000247880602 257116043 /nfs/dbraw/zinc/11/60/43/257116043.db2.gz PUVZMDDUOXXQRD-HZPDHXFCSA-N 1 0 315.417 2.066 10 0 DEAERO O=C(C[C@@H]1OC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@H]12)NC1CC1 ZINC000247801193 257117179 /nfs/dbraw/zinc/11/71/79/257117179.db2.gz VWPRVUCMBKGICY-BPUTZDHNSA-N 1 0 320.458 2.254 10 0 DEAERO O=C(NCC1CC1)[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000247474039 257118915 /nfs/dbraw/zinc/11/89/15/257118915.db2.gz GOHVSPFWLGCXTO-JYJNAYRXSA-N 1 0 320.458 2.396 10 0 DEAERO O=C(NC1CC1)[C@]12CCO[C@H]1CC[N@H+](Cc1ccsc1)C2 ZINC000247722599 257118988 /nfs/dbraw/zinc/11/89/88/257118988.db2.gz BOTVVWOAUHAVII-HOCLYGCPSA-N 1 0 306.431 2.008 10 0 DEAERO O=C(NCC1CC1)[C@@H]1CO[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]2C1 ZINC000247521674 257119750 /nfs/dbraw/zinc/11/97/50/257119750.db2.gz XTNPFXDLOPGNHA-YESZJQIVSA-N 1 0 318.417 2.033 10 0 DEAERO Cn1cc(C[C@@H]2[C@@H]([NH+](C)C)CCN2Cc2cccc(F)c2)cn1 ZINC000503716382 257210084 /nfs/dbraw/zinc/21/00/84/257210084.db2.gz LIZZNAZYSUZLCK-ZWKOTPCHSA-N 1 0 316.424 2.306 10 0 DEAERO Fc1cccc(C[N@@H+]2C[C@H]3OCCN(c4cccnc4)[C@@H]3C2)c1 ZINC000503717075 257210284 /nfs/dbraw/zinc/21/02/84/257210284.db2.gz PAUGOPMACXFJNP-QZTJIDSGSA-N 1 0 313.376 2.310 10 0 DEAERO C[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)C[C@H]1CC=CCC1 ZINC000544114495 285332509 /nfs/dbraw/zinc/33/25/09/285332509.db2.gz IDUOJUASOOEGKZ-AWEZNQCLSA-N 1 0 316.401 2.320 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc2ccccc21 ZINC000122160307 195411841 /nfs/dbraw/zinc/41/18/41/195411841.db2.gz VGXMEACXXTXZIA-SWLSCSKDSA-N 1 0 304.415 2.116 10 0 DEAERO FC(F)(F)[C@@H]1CCc2nnc(CC[C@@H]3CCC[NH2+]C3)n2C1 ZINC000123159632 195550697 /nfs/dbraw/zinc/55/06/97/195550697.db2.gz VMVWAUCLIFFKGB-WDEREUQCSA-N 1 0 302.344 2.335 10 0 DEAERO COc1ccc(C(=O)CCCC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000561310740 291959646 /nfs/dbraw/zinc/95/96/46/291959646.db2.gz NJGABOXVLXTXGF-UHFFFAOYSA-N 1 0 320.433 2.458 10 0 DEAERO CC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000123317780 195567757 /nfs/dbraw/zinc/56/77/57/195567757.db2.gz JBSDJQUIWASWGR-ZBFHGGJFSA-N 1 0 320.433 2.219 10 0 DEAERO COc1ccc(Cn2cc([C@H](C)[NH3+])nn2)cc1Br ZINC000124335638 195629735 /nfs/dbraw/zinc/62/97/35/195629735.db2.gz ZFPNUIFKTKVYAY-QMMMGPOBSA-N 1 0 311.183 2.117 10 0 DEAERO CCc1nc2ccccc2n1CC(=O)N(C)CCC[NH+](C)C ZINC000544871052 285380256 /nfs/dbraw/zinc/38/02/56/285380256.db2.gz IHFMIJAMOIIRSC-UHFFFAOYSA-N 1 0 302.422 2.009 10 0 DEAERO Cc1cccnc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125276332 195731683 /nfs/dbraw/zinc/73/16/83/195731683.db2.gz ZFDBQGPHLBSNHJ-UHFFFAOYSA-N 1 0 304.438 2.310 10 0 DEAERO CCCCOCC[NH2+]CCOCCOCCOCCCC ZINC000125422243 195747500 /nfs/dbraw/zinc/74/75/00/195747500.db2.gz MPVRRIHLTRTVEG-UHFFFAOYSA-N 1 0 305.459 2.243 10 0 DEAERO CCc1nn(CC)c(C[NH+]2CCC3(CC2)OCCO3)c1Cl ZINC000125426399 195748365 /nfs/dbraw/zinc/74/83/65/195748365.db2.gz NBDPKDFVKPZWMP-UHFFFAOYSA-N 1 0 313.829 2.458 10 0 DEAERO CCC(CC)CNS(=O)(=O)N1CCCC[C@H]1C[NH2+]C(C)C ZINC000125719577 195779121 /nfs/dbraw/zinc/77/91/21/195779121.db2.gz UNDWBOGBEJLBQS-HNNXBMFYSA-N 1 0 319.515 2.110 10 0 DEAERO NC(=O)COc1ccc(C[NH2+]CCCCC(F)(F)F)cc1 ZINC000126143031 195813873 /nfs/dbraw/zinc/81/38/73/195813873.db2.gz YXNOKKHYEPQAMO-UHFFFAOYSA-N 1 0 304.312 2.373 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c(C)s1 ZINC000070177282 291976560 /nfs/dbraw/zinc/97/65/60/291976560.db2.gz RKIXJTDKMOINPZ-CABZTGNLSA-N 1 0 302.465 2.113 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000366650604 131285277 /nfs/dbraw/zinc/28/52/77/131285277.db2.gz GAAVQCYEGSQMDB-IRXDYDNUSA-N 1 0 323.481 2.176 10 0 DEAERO C[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(Br)cn1 ZINC000562738389 292007497 /nfs/dbraw/zinc/00/74/97/292007497.db2.gz VVSUYDGPWZQYLI-JTQLQIEISA-N 1 0 309.211 2.471 10 0 DEAERO C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CCCO1 ZINC000071935613 132501245 /nfs/dbraw/zinc/50/12/45/132501245.db2.gz PGEXHGGPNKWUEV-JKSUJKDBSA-N 1 0 311.470 2.365 10 0 DEAERO CCc1nc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cs1 ZINC000176169250 132517950 /nfs/dbraw/zinc/51/79/50/132517950.db2.gz HHVQKCWGUKFKOA-YPMHNXCESA-N 1 0 310.467 2.378 10 0 DEAERO O=C(C[C@H]1CSCC[NH2+]1)N1CCC(Oc2ccccc2)CC1 ZINC000238081150 132561809 /nfs/dbraw/zinc/56/18/09/132561809.db2.gz QAYTVTUENWAQFY-AWEZNQCLSA-N 1 0 320.458 2.152 10 0 DEAERO COC(=O)c1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000078614993 292008639 /nfs/dbraw/zinc/00/86/39/292008639.db2.gz RLQXWYPDTVABJN-LLVKDONJSA-N 1 0 312.435 2.241 10 0 DEAERO c1ccc2c(c1)OCC[C@@H]2C[NH+]1CCN(c2cccnn2)CC1 ZINC000372409480 285519938 /nfs/dbraw/zinc/51/99/38/285519938.db2.gz GEGLEOZLIVGBOO-OAHLLOKOSA-N 1 0 310.401 2.165 10 0 DEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000358182583 133126532 /nfs/dbraw/zinc/12/65/32/133126532.db2.gz CSXIIHJSWCEAPA-WMLDXEAASA-N 1 0 302.418 2.426 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)C1C(C)(C)C1(C)C ZINC000358195816 133127605 /nfs/dbraw/zinc/12/76/05/133127605.db2.gz VUJFCJQIXOKYAK-GXTWGEPZSA-N 1 0 308.466 2.427 10 0 DEAERO CCO[C@H](CCNC(=O)NCC[N@H+]1CC=C(C)CC1)C(C)C ZINC000358198059 133127784 /nfs/dbraw/zinc/12/77/84/133127784.db2.gz PDVGHHSJBPLKOP-MRXNPFEDSA-N 1 0 311.470 2.389 10 0 DEAERO O=C1[C@H]([NH2+][C@@H]2CCc3ccccc32)CCN1C1CCOCC1 ZINC000358201218 133128307 /nfs/dbraw/zinc/12/83/07/133128307.db2.gz JKTWXPCNBJDWBP-IAGOWNOFSA-N 1 0 300.402 2.043 10 0 DEAERO COCCN(C)c1ccc(C[NH2+]C2(CCO)CCCCC2)cn1 ZINC000359750990 133142668 /nfs/dbraw/zinc/14/26/68/133142668.db2.gz WURDZEIEBGKOKC-UHFFFAOYSA-N 1 0 321.465 2.339 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](OCc2ccncc2)C1 ZINC000360185997 133167740 /nfs/dbraw/zinc/16/77/40/133167740.db2.gz YGSUJENHOMSRBV-DLBZAZTESA-N 1 0 317.433 2.074 10 0 DEAERO O[C@@H](C[NH+]1CCC(Oc2ncccc2F)CC1)CC(F)(F)F ZINC000373178111 133380705 /nfs/dbraw/zinc/38/07/05/133380705.db2.gz GCBPFKXLRPVMMA-SNVBAGLBSA-N 1 0 322.302 2.377 10 0 DEAERO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000373649177 133399178 /nfs/dbraw/zinc/39/91/78/133399178.db2.gz MLNLYFZUPPJMTK-OPQQBVKSSA-N 1 0 301.383 2.057 10 0 DEAERO NC(=[NH2+])c1cc(C(F)(F)F)ccc1N1CCCC[C@@H]1CO ZINC000048857830 134754106 /nfs/dbraw/zinc/75/41/06/134754106.db2.gz JHQLMRUZNKMJKP-SNVBAGLBSA-N 1 0 301.312 2.341 10 0 DEAERO NC(=O)c1c(Cl)cccc1N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000052905924 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Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)C[C@@H]2CCCO2)c1C ZINC000187814681 145003608 /nfs/dbraw/zinc/00/36/08/145003608.db2.gz GIEWGXRZTXDKOS-SJORKVTESA-N 1 0 307.434 2.462 10 0 DEAERO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CC[NH+]2CCC1CC2 ZINC000188668635 145015679 /nfs/dbraw/zinc/01/56/79/145015679.db2.gz YUTSRXMUGPZWHW-ZIAGYGMSSA-N 1 0 306.356 2.375 10 0 DEAERO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000189008480 145021194 /nfs/dbraw/zinc/02/11/94/145021194.db2.gz JPPBSBMJEHMCAT-SMDDNHRTSA-N 1 0 306.312 2.433 10 0 DEAERO C[C@@H]1CCC[N@H+](CCNC(=O)c2snnc2C(C)(C)C)C1 ZINC000189108837 145022465 /nfs/dbraw/zinc/02/24/65/145022465.db2.gz AEWWREUSEQVTGU-LLVKDONJSA-N 1 0 310.467 2.297 10 0 DEAERO Cc1ccc(CCCC(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000189374169 145026241 /nfs/dbraw/zinc/02/62/41/145026241.db2.gz QMLJAJBTYIXXDY-UHFFFAOYSA-N 1 0 304.434 2.156 10 0 DEAERO OCc1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000189739716 145032691 /nfs/dbraw/zinc/03/26/91/145032691.db2.gz 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CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C1 ZINC000246608734 145107932 /nfs/dbraw/zinc/10/79/32/145107932.db2.gz DKIWPBKJMFYHKN-OWLYRPNTSA-N 1 0 313.445 2.356 10 0 DEAERO COc1cc(C)cc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000246645908 145109519 /nfs/dbraw/zinc/10/95/19/145109519.db2.gz SNMIFUZKZBMSTI-ZBFHGGJFSA-N 1 0 317.433 2.382 10 0 DEAERO Cc1ccc(CNC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246668740 145109872 /nfs/dbraw/zinc/10/98/72/145109872.db2.gz JJIXGZUOPGMBKJ-RDJZCZTQSA-N 1 0 303.450 2.026 10 0 DEAERO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246676063 145110234 /nfs/dbraw/zinc/11/02/34/145110234.db2.gz GMZJRYXFCJZVBJ-SOLBZPMBSA-N 1 0 306.450 2.492 10 0 DEAERO C[C@H](CNC(=O)N1CC[C@H]2OCCC[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246695402 145110535 /nfs/dbraw/zinc/11/05/35/145110535.db2.gz NBDQDRDSMDRZEY-QBPKDAKJSA-N 1 0 323.481 2.317 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246694781 145110562 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C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248022409 145146069 /nfs/dbraw/zinc/14/60/69/145146069.db2.gz NZGDPEKNODHESL-CVYDXHPNSA-N 1 0 308.466 2.308 10 0 DEAERO CC(C)[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248449981 145155516 /nfs/dbraw/zinc/15/55/16/145155516.db2.gz OWVPIHHAWMTOKQ-WMLDXEAASA-N 1 0 319.449 2.097 10 0 DEAERO CC[C@H](C)[C@H](C)C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000248574211 145159217 /nfs/dbraw/zinc/15/92/17/145159217.db2.gz OXGIXCLCXXXGMG-YESZJQIVSA-N 1 0 309.498 2.297 10 0 DEAERO Cc1cn(-c2ccccc2)nc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248590297 145159811 /nfs/dbraw/zinc/15/98/11/145159811.db2.gz YCQFKYQMPXVFHS-WBVHZDCISA-N 1 0 324.428 2.489 10 0 DEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000248641112 145162805 /nfs/dbraw/zinc/16/28/05/145162805.db2.gz CIXMKQYUSZUPNQ-HOTGVXAUSA-N 1 0 309.454 2.351 10 0 DEAERO Cn1c2ccc(C[N@H+](C)C[C@H]3CCC[C@H]3O)cc2sc1=O ZINC000248720127 145165052 /nfs/dbraw/zinc/16/50/52/145165052.db2.gz GKAVVVXHXXNKOV-TZMCWYRMSA-N 1 0 306.431 2.193 10 0 DEAERO COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(CC[NH2+]C(C)C)C1 ZINC000248711945 145165143 /nfs/dbraw/zinc/16/51/43/145165143.db2.gz CSPWRQUPJPKAEX-DLBZAZTESA-N 1 0 304.434 2.263 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000248824367 145168684 /nfs/dbraw/zinc/16/86/84/145168684.db2.gz LRHFIUSCLKTVSK-BRWVUGGUSA-N 1 0 317.433 2.252 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C12CCOCC2 ZINC000249067322 145177463 /nfs/dbraw/zinc/17/74/63/145177463.db2.gz ZORFKNBHXLRAFG-JKJDWNRSSA-N 1 0 309.450 2.364 10 0 DEAERO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+]([C@H]2CCCCNC2=O)C1 ZINC000249098801 145178247 /nfs/dbraw/zinc/17/82/47/145178247.db2.gz AUUMVKPVEAHHES-HOCLYGCPSA-N 1 0 315.417 2.006 10 0 DEAERO C[N@H+](C[C@H](O)CC(F)(F)F)[C@H]1CCN(c2ccccc2)C1=O ZINC000249440416 145184545 /nfs/dbraw/zinc/18/45/45/145184545.db2.gz SWDOVTJINKTLNM-OLZOCXBDSA-N 1 0 316.323 2.037 10 0 DEAERO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(Cl)cc2c1OCOC2 ZINC000249457505 145184724 /nfs/dbraw/zinc/18/47/24/145184724.db2.gz GJLHUJHLVYTDJA-SZHJEYTRSA-N 1 0 321.804 2.408 10 0 DEAERO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000261572288 145208515 /nfs/dbraw/zinc/20/85/15/145208515.db2.gz SQKALPDLHNPDPJ-JQWIXIFHSA-N 1 0 302.827 2.088 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000261573259 145208714 /nfs/dbraw/zinc/20/87/14/145208714.db2.gz VLRVZEBISQQOMN-LBPRGKRZSA-N 1 0 302.827 2.088 10 0 DEAERO C[C@H]1CCN(CC(=O)Nc2ccc(F)cc2Cl)[C@H](C[NH3+])C1 ZINC000261595944 145209113 /nfs/dbraw/zinc/20/91/13/145209113.db2.gz JJZOZQKPKZNNLA-JQWIXIFHSA-N 1 0 313.804 2.477 10 0 DEAERO CN(Cc1cccc(F)c1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261611791 145210404 /nfs/dbraw/zinc/21/04/04/145210404.db2.gz BGFZMOGVKSKMJW-HDMKZQKVSA-N 1 0 320.408 2.317 10 0 DEAERO C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261641331 145213263 /nfs/dbraw/zinc/21/32/63/145213263.db2.gz GHOKJJWWJULFQD-IINYFYTJSA-N 1 0 311.376 2.351 10 0 DEAERO CC(C)CC(=O)Nc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261655552 145214324 /nfs/dbraw/zinc/21/43/24/145214324.db2.gz FTVQAUKPMJAQMV-UHFFFAOYSA-N 1 0 319.405 2.118 10 0 DEAERO CC(=O)Nc1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261656242 145214522 /nfs/dbraw/zinc/21/45/22/145214522.db2.gz HSPGYJBFRDKNQW-GOSISDBHSA-N 1 0 310.401 2.187 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261659513 145214586 /nfs/dbraw/zinc/21/45/86/145214586.db2.gz YIBQCLFKZPZTGW-GWCFXTLKSA-N 1 0 316.854 2.396 10 0 DEAERO Cc1coc(-c2cccc(NC(=O)C3([NH3+])CCOCC3)c2)n1 ZINC000261670921 145214923 /nfs/dbraw/zinc/21/49/23/145214923.db2.gz BWZOPVYJEBWHHR-UHFFFAOYSA-N 1 0 301.346 2.096 10 0 DEAERO COc1ccc(SCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000261674311 145215377 /nfs/dbraw/zinc/21/53/77/145215377.db2.gz CWFFJMBRDHCWCW-OKILXGFUSA-N 1 0 320.458 2.245 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261689657 145217125 /nfs/dbraw/zinc/21/71/25/145217125.db2.gz DBERIDVPQWCAIY-DOMZBBRYSA-N 1 0 306.406 2.048 10 0 DEAERO CCc1ccc(C(=O)CCC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000261695678 145217811 /nfs/dbraw/zinc/21/78/11/145217811.db2.gz IXUPLKWEAKQGMU-HIFRSBDPSA-N 1 0 302.418 2.408 10 0 DEAERO O=C(c1ccc(Cn2cccn2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261719775 145219959 /nfs/dbraw/zinc/21/99/59/145219959.db2.gz GVFKJRYXRJZRRN-HDICACEKSA-N 1 0 324.428 2.003 10 0 DEAERO Cc1ccccc1C1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261753253 145222784 /nfs/dbraw/zinc/22/27/84/145222784.db2.gz FLLWTMDIHZTILU-UHFFFAOYSA-N 1 0 302.418 2.209 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)n1 ZINC000261770823 145224232 /nfs/dbraw/zinc/22/42/32/145224232.db2.gz NBWBXFXOBVUCFC-GYSYKLTISA-N 1 0 314.389 2.482 10 0 DEAERO Cc1ccccc1NC(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261776755 145225353 /nfs/dbraw/zinc/22/53/53/145225353.db2.gz ORRXMZCTXLLECA-UHFFFAOYSA-N 1 0 311.429 2.437 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)CCc1nccs1 ZINC000261789809 145226907 /nfs/dbraw/zinc/22/69/07/145226907.db2.gz UHEVHIJVKMWAJW-UHFFFAOYSA-N 1 0 303.431 2.106 10 0 DEAERO c1cnn(-c2cccc(CN3CC[NH2+]C[C@@H]3c3cccnc3)c2)c1 ZINC000261813034 145228899 /nfs/dbraw/zinc/22/88/99/145228899.db2.gz WZNZLLFNYMLWIL-LJQANCHMSA-N 1 0 319.412 2.414 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2ccccc2OC[C@H]2CCCO2)n1 ZINC000261824504 145230754 /nfs/dbraw/zinc/23/07/54/145230754.db2.gz QURFBQLYQUOJHY-CHWSQXEVSA-N 1 0 317.389 2.445 10 0 DEAERO Cc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000261837434 145232468 /nfs/dbraw/zinc/23/24/68/145232468.db2.gz CEWWFVDABRKBQB-SJPCQFCGSA-N 1 0 301.434 2.457 10 0 DEAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(N2CCCCC2)cc1 ZINC000261846394 145233045 /nfs/dbraw/zinc/23/30/45/145233045.db2.gz PRVMAIDNWZWRFF-GJZGRUSLSA-N 1 0 301.434 2.486 10 0 DEAERO COC(=O)[C@H](C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000261862540 145234846 /nfs/dbraw/zinc/23/48/46/145234846.db2.gz XABOPAJHBSYKST-DTZQCDIJSA-N 1 0 318.417 2.028 10 0 DEAERO CN(Cc1ccc(F)cc1Cl)C(=O)C1(C[NH3+])CCOCC1 ZINC000261873353 145236261 /nfs/dbraw/zinc/23/62/61/145236261.db2.gz DKUSNUJJWWVWJL-UHFFFAOYSA-N 1 0 314.788 2.193 10 0 DEAERO Cc1ccccc1C[C@H]1CCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261874207 145236334 /nfs/dbraw/zinc/23/63/34/145236334.db2.gz TYIGYLJXDJPNNK-ZACQAIPSSA-N 1 0 302.418 2.035 10 0 DEAERO CC[C@@H](C)C(=O)N1CSC[C@@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000261883224 145236703 /nfs/dbraw/zinc/23/67/03/145236703.db2.gz WRFGWEGCUXYDGV-NXEZZACHSA-N 1 0 310.423 2.028 10 0 DEAERO CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261884037 145237794 /nfs/dbraw/zinc/23/77/94/145237794.db2.gz FROMTNRFCABANZ-MAZHCROVSA-N 1 0 307.438 2.046 10 0 DEAERO CC(C)c1noc2ncc(C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)cc21 ZINC000261893408 145238446 /nfs/dbraw/zinc/23/84/46/145238446.db2.gz VUCTZNIOVAOOJA-GHMZBOCLSA-N 1 0 302.378 2.156 10 0 DEAERO CCCN(Cc1ccc2c(c1)sc(=O)n2C)[C@H]1CC[NH2+]C1 ZINC000261919696 145241596 /nfs/dbraw/zinc/24/15/96/145241596.db2.gz KGDGXZSXTOUEMY-ZDUSSCGKSA-N 1 0 305.447 2.174 10 0 DEAERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc2c1NCC2 ZINC000261928384 145243597 /nfs/dbraw/zinc/24/35/97/145243597.db2.gz LFPSXPZQGRSACG-HOTGVXAUSA-N 1 0 318.417 2.197 10 0 DEAERO [NH3+]CC1(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CCOCC1 ZINC000261950067 145245349 /nfs/dbraw/zinc/24/53/49/145245349.db2.gz OCWDNDCRRUDUJG-RYUDHWBXSA-N 1 0 322.371 2.227 10 0 DEAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261951699 145246471 /nfs/dbraw/zinc/24/64/71/145246471.db2.gz PXELZSKPSXNBBV-DLBZAZTESA-N 1 0 316.445 2.267 10 0 DEAERO Nc1ncc(C[NH+]2CCC(c3nnc4ccccn43)CC2)s1 ZINC000261957038 145247279 /nfs/dbraw/zinc/24/72/79/145247279.db2.gz GTNZACHBQMHHAI-UHFFFAOYSA-N 1 0 314.418 2.148 10 0 DEAERO O=C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccccc1F ZINC000262003604 145252216 /nfs/dbraw/zinc/25/22/16/145252216.db2.gz VNWTZGGMYUTOEI-HNNXBMFYSA-N 1 0 305.397 2.228 10 0 DEAERO c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000262035111 145254980 /nfs/dbraw/zinc/25/49/80/145254980.db2.gz XXSIYIDYQUMYEI-IEWDOMPSSA-N 1 0 300.446 2.364 10 0 DEAERO Cc1coc(-c2cccc(NC(=O)[C@@H]([NH3+])C3CCOCC3)c2)n1 ZINC000262046445 145256648 /nfs/dbraw/zinc/25/66/48/145256648.db2.gz QPSCZNZYLNBESN-HNNXBMFYSA-N 1 0 315.373 2.342 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262062946 145258205 /nfs/dbraw/zinc/25/82/05/145258205.db2.gz RUVIYWFOGCSMQV-MRXNPFEDSA-N 1 0 320.481 2.284 10 0 DEAERO C[C@H](C[C@@H]1COCC[NH2+]1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000262101508 145261711 /nfs/dbraw/zinc/26/17/11/145261711.db2.gz IUQPGCCULMRHDF-MLGOLLRUSA-N 1 0 303.406 2.214 10 0 DEAERO CCC(=O)Nc1cccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000262105165 145262242 /nfs/dbraw/zinc/26/22/42/145262242.db2.gz VFYCOMYRDXYZOL-AWEZNQCLSA-N 1 0 303.406 2.235 10 0 DEAERO C[C@@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[C@@H]1c1ccccc1 ZINC000262115452 145263005 /nfs/dbraw/zinc/26/30/05/145263005.db2.gz FOWFFJAFOYRYGF-WBVHZDCISA-N 1 0 316.445 2.394 10 0 DEAERO COc1ccc(C2(NC(=O)[C@@H](C)C3C[NH2+]C3)CCCC2)cc1 ZINC000262217159 145270084 /nfs/dbraw/zinc/27/00/84/145270084.db2.gz OTXJQVXTKSMLJO-ZDUSSCGKSA-N 1 0 302.418 2.436 10 0 DEAERO Cc1cc(NC(=O)[C@H](C)C2C[NH2+]C2)n(-c2ccc(F)cc2)n1 ZINC000262294402 145274106 /nfs/dbraw/zinc/27/41/06/145274106.db2.gz YXTLMLDGJGHDSZ-LLVKDONJSA-N 1 0 302.353 2.114 10 0 DEAERO C[NH2+]CCC(=O)/N=c1/sccn1Cc1ccccc1Cl ZINC000262301786 145275099 /nfs/dbraw/zinc/27/50/99/145275099.db2.gz BPYIGASPLGYCOK-SAPNQHFASA-N 1 0 309.822 2.288 10 0 DEAERO C[C@H]1CCCC[C@H]1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262312377 145276100 /nfs/dbraw/zinc/27/61/00/145276100.db2.gz QNYSOICDVTYJIL-DIECFANBSA-N 1 0 318.465 2.056 10 0 DEAERO Cc1csc([C@H](C)NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)n1 ZINC000262430868 145283659 /nfs/dbraw/zinc/28/36/59/145283659.db2.gz FVFSPKVCQPMUNZ-PVTKRXDGSA-N 1 0 323.462 2.161 10 0 DEAERO C[C@@H](C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)C1C[NH2+]C1 ZINC000262472430 145285614 /nfs/dbraw/zinc/28/56/14/145285614.db2.gz YLXMUTWAQSTBRW-MEBBXXQBSA-N 1 0 314.389 2.208 10 0 DEAERO COc1cc(OC)c(CN2CC[C@@H]([NH3+])C(C)(C)C2)c(OC)c1 ZINC000262493800 145287323 /nfs/dbraw/zinc/28/73/23/145287323.db2.gz LEXZUMVLQPCOGB-MRXNPFEDSA-N 1 0 308.422 2.272 10 0 DEAERO CC(C)c1ccc(NC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262528163 145290766 /nfs/dbraw/zinc/29/07/66/145290766.db2.gz PDEIOSHBMWHKSI-UAGQMJEPSA-N 1 0 301.434 2.418 10 0 DEAERO C[C@@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)OCO2 ZINC000262550205 145291963 /nfs/dbraw/zinc/29/19/63/145291963.db2.gz SGPHYRYDJDPCEB-IAQYHMDHSA-N 1 0 304.390 2.371 10 0 DEAERO Cc1ccccc1CN(C)C(=O)CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000262577573 145294794 /nfs/dbraw/zinc/29/47/94/145294794.db2.gz YLIFCQRSRYAPDA-WMLDXEAASA-N 1 0 303.450 2.013 10 0 DEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H](C)C2C[NH2+]C2)C12CCCCC2 ZINC000262622716 145296679 /nfs/dbraw/zinc/29/66/79/145296679.db2.gz ZTFRJIPSSUZAGM-FVQBIDKESA-N 1 0 308.466 2.428 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000262726554 145302036 /nfs/dbraw/zinc/30/20/36/145302036.db2.gz HIZLQBHYWGWOCW-SUMWQHHRSA-N 1 0 324.428 2.478 10 0 DEAERO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]1c1ccco1 ZINC000262729737 145302275 /nfs/dbraw/zinc/30/22/75/145302275.db2.gz HWASZVRUAZYMTQ-UKRRQHHQSA-N 1 0 314.389 2.378 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000262742340 145302594 /nfs/dbraw/zinc/30/25/94/145302594.db2.gz CSPNVTGIEMENKR-WBMJQRKESA-N 1 0 304.415 2.116 10 0 DEAERO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cccc3ccccc32)[C@H]1C ZINC000262735803 145302683 /nfs/dbraw/zinc/30/26/83/145302683.db2.gz AGXFQEDCIROSAE-OLZOCXBDSA-N 1 0 304.415 2.211 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2)CC[NH2+]1 ZINC000262980774 145315840 /nfs/dbraw/zinc/31/58/40/145315840.db2.gz YQVVOOPTBVFHMV-RISCZKNCSA-N 1 0 318.808 2.396 10 0 DEAERO O=C(CCC1CC[NH2+]CC1)NC[C@H](O)c1ccc(Cl)s1 ZINC000263129477 145327483 /nfs/dbraw/zinc/32/74/83/145327483.db2.gz BNOAGWKDVHCJAJ-NSHDSACASA-N 1 0 316.854 2.331 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(COc2cccc3ccccc32)n1 ZINC000263155834 145330460 /nfs/dbraw/zinc/33/04/60/145330460.db2.gz DMJVATRLLDNXSY-HNNXBMFYSA-N 1 0 324.384 2.378 10 0 DEAERO C[C@@H]1CCc2sc(-c3nc([C@H]4C[NH2+]CCN4C)no3)cc2C1 ZINC000263200642 145335737 /nfs/dbraw/zinc/33/57/37/145335737.db2.gz JAIRNQIPVDRXMR-ZYHUDNBSSA-N 1 0 318.446 2.499 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cc(-c3cccs3)on2)n1 ZINC000263205808 145336061 /nfs/dbraw/zinc/33/60/61/145336061.db2.gz JRVIFEPZQKKKCO-SNVBAGLBSA-N 1 0 317.374 2.029 10 0 DEAERO Cc1nc(C(C)(C)C)sc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263204752 145336260 /nfs/dbraw/zinc/33/62/60/145336260.db2.gz JOHBSEFPSLPNJA-SNVBAGLBSA-N 1 0 321.450 2.375 10 0 DEAERO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000263222624 145338091 /nfs/dbraw/zinc/33/80/91/145338091.db2.gz MEUUCZBUINVPLM-SJLPKXTDSA-N 1 0 312.417 2.396 10 0 DEAERO C[C@H](Cc1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccc(F)cc1 ZINC000263222205 145338163 /nfs/dbraw/zinc/33/81/63/145338163.db2.gz MCHSZQIDWKMCDH-RISCZKNCSA-N 1 0 304.369 2.131 10 0 DEAERO c1cn(-c2csc(C[N@@H+]3CCOC4(CCOCC4)C3)c2)cn1 ZINC000346162446 146028217 /nfs/dbraw/zinc/02/82/17/146028217.db2.gz GRWUVQYNRYSVDQ-UHFFFAOYSA-N 1 0 319.430 2.315 10 0 DEAERO O[C@H](CC[NH2+]Cc1cncc(Br)c1)C(F)(F)F ZINC000349333427 146369504 /nfs/dbraw/zinc/36/95/04/146369504.db2.gz QHMSUOXASLQAQL-SECBINFHSA-N 1 0 313.117 2.247 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000358649937 147173761 /nfs/dbraw/zinc/17/37/61/147173761.db2.gz OMWSDIZPVFBILZ-DLBZAZTESA-N 1 0 322.497 2.010 10 0 DEAERO COCCn1c(SC[C@H](C)[NH+](C)C)nnc1-c1ccncc1 ZINC000358853976 147219554 /nfs/dbraw/zinc/21/95/54/147219554.db2.gz NNEWDGOSKPKMNR-LBPRGKRZSA-N 1 0 321.450 2.029 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000359040731 147251768 /nfs/dbraw/zinc/25/17/68/147251768.db2.gz JKNRAHUXWIHIGX-AWEZNQCLSA-N 1 0 311.470 2.175 10 0 DEAERO O=C(NC[C@H](CO)C1CC1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000359094162 147261576 /nfs/dbraw/zinc/26/15/76/147261576.db2.gz YNDOTEKCZYOOJQ-WBVHZDCISA-N 1 0 323.481 2.101 10 0 DEAERO CC(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000371236691 148075898 /nfs/dbraw/zinc/07/58/98/148075898.db2.gz QNAHWMZIUCIOEZ-IAGOWNOFSA-N 1 0 300.402 2.493 10 0 DEAERO COc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1F ZINC000374719586 148282551 /nfs/dbraw/zinc/28/25/51/148282551.db2.gz VVTZXGZMVXYHOM-WMLDXEAASA-N 1 0 323.408 2.492 10 0 DEAERO C[C@@H]1OCC[C@]1(O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000565812088 292183140 /nfs/dbraw/zinc/18/31/40/292183140.db2.gz SVKHMYXQCJFSJV-ONIAQPFYSA-N 1 0 305.418 2.284 10 0 DEAERO O=C(NC1CC[NH+](CC2(O)CCCC2)CC1)C1CCCCC1 ZINC000408281315 148584789 /nfs/dbraw/zinc/58/47/89/148584789.db2.gz NXMKWLWIBANPLQ-UHFFFAOYSA-N 1 0 308.466 2.452 10 0 DEAERO CCOCC[N@@H+]1CCN([C@H](CC)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000248808240 286090865 /nfs/dbraw/zinc/09/08/65/286090865.db2.gz BWYQTXKTHTWNOJ-LSDHHAIUSA-N 1 0 314.470 2.149 10 0 DEAERO CC(C)c1ccc(C[N@H+](C)C[C@H](O)CN2CCCC2=O)cc1 ZINC000111683133 401720716 /nfs/dbraw/zinc/72/07/16/401720716.db2.gz SCTCKOPYHSVTJX-KRWDZBQOSA-N 1 0 304.434 2.225 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000127198112 401724019 /nfs/dbraw/zinc/72/40/19/401724019.db2.gz KHHPCHINUNMGBE-MRXNPFEDSA-N 1 0 323.412 2.081 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000111804103 401724357 /nfs/dbraw/zinc/72/43/57/401724357.db2.gz VGTQOOZKAFPRIM-UONOGXRCSA-N 1 0 309.410 2.059 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2C[C@@H](CC)O[C@@H](C)C2)CC1 ZINC000111847415 401725744 /nfs/dbraw/zinc/72/57/44/401725744.db2.gz XLEHRCWEPRCGLN-GOEBONIOSA-N 1 0 311.470 2.317 10 0 DEAERO CCc1cnc(CCNC(=O)C2CC[NH+](C(C)C)CC2)s1 ZINC000074119720 401730622 /nfs/dbraw/zinc/73/06/22/401730622.db2.gz WKTZWRZKUQWLJN-UHFFFAOYSA-N 1 0 309.479 2.485 10 0 DEAERO C[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(C)(C)C ZINC000112448557 401745784 /nfs/dbraw/zinc/74/57/84/401745784.db2.gz LPUQHRFWOKAZKG-AWEZNQCLSA-N 1 0 324.513 2.279 10 0 DEAERO CN(C)c1ccc([C@H](C[NH3+])S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008037940 401747484 /nfs/dbraw/zinc/74/74/84/401747484.db2.gz RXPDAHAPUUYJET-INIZCTEOSA-N 1 0 322.405 2.365 10 0 DEAERO COc1cc([C@@H](C)[NH2+]CCC[S@@](C)=O)cc(OC)c1OC ZINC000126829387 401710103 /nfs/dbraw/zinc/71/01/03/401710103.db2.gz HHFBFRMVMXDABK-FIKIJFGZSA-N 1 0 315.435 2.132 10 0 DEAERO Brc1cncnc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127017354 401716990 /nfs/dbraw/zinc/71/69/90/401716990.db2.gz LFDGZWSCPHTVOB-LLVKDONJSA-N 1 0 311.227 2.161 10 0 DEAERO C[C@@H](C(=O)N1CCO[C@H](c2nccs2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000111620532 401718281 /nfs/dbraw/zinc/71/82/81/401718281.db2.gz MGIFJCTVNMEKDW-CRWXNKLISA-N 1 0 323.462 2.304 10 0 DEAERO CCC(CC)[C@@H](O)CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000111655461 401719676 /nfs/dbraw/zinc/71/96/76/401719676.db2.gz QOTXGYCJKGQVSY-INIZCTEOSA-N 1 0 322.449 2.154 10 0 DEAERO O[C@@H](COCc1ccccc1)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000114562518 401803475 /nfs/dbraw/zinc/80/34/75/401803475.db2.gz IGBPRWQRHJJHBX-RTBURBONSA-N 1 0 318.461 2.124 10 0 DEAERO CC1(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)COC1 ZINC000112753473 401757324 /nfs/dbraw/zinc/75/73/24/401757324.db2.gz YQOQKFFKJOPZIJ-MRXNPFEDSA-N 1 0 323.481 2.321 10 0 DEAERO COC[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000112939389 401762410 /nfs/dbraw/zinc/76/24/10/401762410.db2.gz SXAJBDKODVWXNC-IRXDYDNUSA-N 1 0 304.434 2.044 10 0 DEAERO CCOc1ccccc1OCC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000075714515 401767023 /nfs/dbraw/zinc/76/70/23/401767023.db2.gz ZMQKLQVRFSNWED-KBPBESRZSA-N 1 0 306.406 2.050 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCC(C)(C)CO ZINC000128277197 401770098 /nfs/dbraw/zinc/77/00/98/401770098.db2.gz LMVNSTFAJDIUKG-OAHLLOKOSA-N 1 0 313.486 2.205 10 0 DEAERO CCOc1ccc(CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113226710 401770363 /nfs/dbraw/zinc/77/03/63/401770363.db2.gz TUZMXHQCLXPFNE-GOEBONIOSA-N 1 0 302.418 2.323 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC(=O)c1ccccc1 ZINC000113225181 401770691 /nfs/dbraw/zinc/77/06/91/401770691.db2.gz FVNOZAMDVZOSLW-GOEBONIOSA-N 1 0 300.402 2.345 10 0 DEAERO CC(=O)Nc1ccc(F)c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113225533 401770917 /nfs/dbraw/zinc/77/09/17/401770917.db2.gz OSGGYDRUBCVPIQ-SMDDNHRTSA-N 1 0 319.380 2.093 10 0 DEAERO CCc1ccccc1OCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113230955 401771380 /nfs/dbraw/zinc/77/13/80/401771380.db2.gz AWBKNCXGQBZLEJ-HOCLYGCPSA-N 1 0 302.418 2.323 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(Cl)nc2ccccn21 ZINC000113227322 401771519 /nfs/dbraw/zinc/77/15/19/401771519.db2.gz OFLKTOZYRCDGJK-NWDGAFQWSA-N 1 0 318.808 2.296 10 0 DEAERO CCN(C)C(=O)CCN1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000128464928 401778139 /nfs/dbraw/zinc/77/81/39/401778139.db2.gz NHWQQCMSKLUYDQ-INIZCTEOSA-N 1 0 308.397 2.376 10 0 DEAERO CCC[N@H+](CCc1cccc(F)c1)C[C@H](O)CN1CCCC1=O ZINC000113518206 401781420 /nfs/dbraw/zinc/78/14/20/401781420.db2.gz IEHOIGDFTAVYIE-KRWDZBQOSA-N 1 0 322.424 2.064 10 0 DEAERO CC(C)NC(=O)CCN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000076120066 401783519 /nfs/dbraw/zinc/78/35/19/401783519.db2.gz JDYRGTWSFWMQDG-KRWDZBQOSA-N 1 0 317.477 2.498 10 0 DEAERO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128774861 401791468 /nfs/dbraw/zinc/79/14/68/401791468.db2.gz PQXAEVLQTJONBX-HUUCEWRRSA-N 1 0 313.467 2.170 10 0 DEAERO Cc1nc(C[C@H]2CCC[N@H+](CCNC(=O)OC(C)(C)C)C2)no1 ZINC000130126539 401819261 /nfs/dbraw/zinc/81/92/61/401819261.db2.gz PYRONDMDFOIFNM-CYBMUJFWSA-N 1 0 324.425 2.157 10 0 DEAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)NCc1ccccc1Cl ZINC000077657437 401823981 /nfs/dbraw/zinc/82/39/81/401823981.db2.gz YLKLGYRNXMENBM-CHWSQXEVSA-N 1 0 310.825 2.456 10 0 DEAERO C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000077756557 401829141 /nfs/dbraw/zinc/82/91/41/401829141.db2.gz WGOSWUFAUNFVNI-LSDHHAIUSA-N 1 0 319.449 2.099 10 0 DEAERO CC(C)CC[C@@](C)(O)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000077776963 401830662 /nfs/dbraw/zinc/83/06/62/401830662.db2.gz NTAIVTVQHJLVRP-NVXWUHKLSA-N 1 0 315.502 2.449 10 0 DEAERO Cc1cc(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)on1 ZINC000115694831 401835535 /nfs/dbraw/zinc/83/55/35/401835535.db2.gz ARIFPONDMNEJDH-UHFFFAOYSA-N 1 0 320.368 2.183 10 0 DEAERO [NH2+]=C1c2[nH]cnc2N(Cc2ccc(Cl)cc2)C2=NCCN21 ZINC000028222055 401850703 /nfs/dbraw/zinc/85/07/03/401850703.db2.gz MFUSRNVIDOJLCR-UHFFFAOYSA-N 1 0 300.753 2.080 10 0 DEAERO C[NH+]1CCC(NC(=O)CSc2ccc(F)c(F)c2)CC1 ZINC000078473380 401852764 /nfs/dbraw/zinc/85/27/64/401852764.db2.gz WGJSXWPTHLULTO-UHFFFAOYSA-N 1 0 300.374 2.267 10 0 DEAERO C[C@H]1CCC[C@@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000079392027 401872296 /nfs/dbraw/zinc/87/22/96/401872296.db2.gz SKQGLKLZRFPNFO-JKSUJKDBSA-N 1 0 311.470 2.319 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)Cc2cccc(F)c2)C[C@@H]1CC ZINC000116769600 401858718 /nfs/dbraw/zinc/85/87/18/401858718.db2.gz YBGBQDIWOTVZIG-KRWDZBQOSA-N 1 0 322.424 2.328 10 0 DEAERO C[C@@H](CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1F ZINC000116787503 401858967 /nfs/dbraw/zinc/85/89/67/401858967.db2.gz FIVDOWPCXMHNQD-KBPBESRZSA-N 1 0 308.397 2.108 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc(Cl)sc2Cl)CCO1 ZINC000116796150 401859058 /nfs/dbraw/zinc/85/90/58/401859058.db2.gz SOQZYKQTZVHWFU-QMMMGPOBSA-N 1 0 323.245 2.458 10 0 DEAERO Cc1[nH]c2c(cccc2C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000116793548 401859351 /nfs/dbraw/zinc/85/93/51/401859351.db2.gz HLSSPXYHEJRPNS-CQSZACIVSA-N 1 0 315.417 2.187 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)[C@]2(C)CCCc3ccccc32)CCO1 ZINC000116791033 401859453 /nfs/dbraw/zinc/85/94/53/401859453.db2.gz OOHHVUSGVQLVSS-QFBILLFUSA-N 1 0 316.445 2.070 10 0 DEAERO CC(C)Cc1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116889445 401863727 /nfs/dbraw/zinc/86/37/27/401863727.db2.gz CJBXLMNGXAORAW-INIZCTEOSA-N 1 0 310.463 2.009 10 0 DEAERO CCOC[C@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119100140 401925595 /nfs/dbraw/zinc/92/55/95/401925595.db2.gz CXFFFUSLTKAOGX-PCKAHOCUSA-N 1 0 311.470 2.175 10 0 DEAERO CC[C@H](O)CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000135051695 401925650 /nfs/dbraw/zinc/92/56/50/401925650.db2.gz WVZMYQGQYGVYNN-QWRGUYRKSA-N 1 0 322.232 2.484 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@@H](C)Cc2ccccc2)CC[N@@H+]1CCOC ZINC000117308373 401874330 /nfs/dbraw/zinc/87/43/30/401874330.db2.gz LLDQQPHMCKLEMJ-FUHWJXTLSA-N 1 0 318.461 2.434 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccccc1Cl ZINC000032072820 401875975 /nfs/dbraw/zinc/87/59/75/401875975.db2.gz PEZAAIYTCZAMCT-NSHDSACASA-N 1 0 304.843 2.349 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(C)o2)CC[N@@H+]1CCOC ZINC000117471409 401877865 /nfs/dbraw/zinc/87/78/65/401877865.db2.gz YJYWVMUXFUCSPO-LSDHHAIUSA-N 1 0 323.437 2.401 10 0 DEAERO CCOC(=O)CCCC[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000133046383 401878402 /nfs/dbraw/zinc/87/84/02/401878402.db2.gz LNUJAYURUXOEFN-INIZCTEOSA-N 1 0 318.417 2.457 10 0 DEAERO CC(C)Oc1cncc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000133381314 401883703 /nfs/dbraw/zinc/88/37/03/401883703.db2.gz WEEGYBLPZHYTPB-UKRRQHHQSA-N 1 0 303.406 2.178 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NCc1nccs1 ZINC000080354110 401889921 /nfs/dbraw/zinc/88/99/21/401889921.db2.gz LVGVWVALQFBGRI-UHFFFAOYSA-N 1 0 305.403 2.014 10 0 DEAERO CCc1cnc(CCNC(=O)NCC[NH+]2CCCCC2)s1 ZINC000080623208 401890999 /nfs/dbraw/zinc/89/09/99/401890999.db2.gz DADHJMWNLLXUNY-UHFFFAOYSA-N 1 0 310.467 2.033 10 0 DEAERO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000034255407 401892712 /nfs/dbraw/zinc/89/27/12/401892712.db2.gz BOJOZWKSQMAMSF-INIZCTEOSA-N 1 0 307.434 2.146 10 0 DEAERO CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034676466 401893344 /nfs/dbraw/zinc/89/33/44/401893344.db2.gz XASYNLGISHEREV-QGZVFWFLSA-N 1 0 319.424 2.349 10 0 DEAERO C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccncc1 ZINC000118754831 401906835 /nfs/dbraw/zinc/90/68/35/401906835.db2.gz QYKQQXRSGODOCZ-HNNXBMFYSA-N 1 0 317.433 2.294 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc(Cl)nc1 ZINC000134727832 401912146 /nfs/dbraw/zinc/91/21/46/401912146.db2.gz HSCBPMUHBNTMDB-RCOIXESOSA-N 1 0 305.809 2.443 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(CCCOc2ccccc2C)CC1 ZINC000118858182 401912879 /nfs/dbraw/zinc/91/28/79/401912879.db2.gz GVIVZOYEALQDDZ-QGZVFWFLSA-N 1 0 306.450 2.152 10 0 DEAERO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCCC1=O ZINC000134850660 401916961 /nfs/dbraw/zinc/91/69/61/401916961.db2.gz GERNOQNRCHZUOB-MRXNPFEDSA-N 1 0 304.434 2.270 10 0 DEAERO CC(=O)Nc1cccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000118984672 401917066 /nfs/dbraw/zinc/91/70/66/401917066.db2.gz BJCSMDJUMSYERJ-WBMJQRKESA-N 1 0 318.421 2.495 10 0 DEAERO 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Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c(C)s1 ZINC000124029101 402160654 /nfs/dbraw/zinc/16/06/54/402160654.db2.gz MZRBBZOASZGDRB-SKDRFNHKSA-N 1 0 314.476 2.268 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCc2cccc(OC)n2)CC1 ZINC000102014062 402161077 /nfs/dbraw/zinc/16/10/77/402161077.db2.gz AXWXELWDJQCYND-UHFFFAOYSA-N 1 0 320.437 2.011 10 0 DEAERO CCn1cc(C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)cn1 ZINC000124045158 402161356 /nfs/dbraw/zinc/16/13/56/402161356.db2.gz BCMYZXOAFJUKDJ-QGZVFWFLSA-N 1 0 318.465 2.483 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000124127940 402164707 /nfs/dbraw/zinc/16/47/07/402164707.db2.gz TZCUNQMMLIRPKO-MRXNPFEDSA-N 1 0 316.449 2.483 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCCCc2c[nH]nc2C)CC1 ZINC000154457219 402213673 /nfs/dbraw/zinc/21/36/73/402213673.db2.gz LGHKNFGXYVAPCC-UHFFFAOYSA-N 1 0 321.469 2.072 10 0 DEAERO CSCCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000125115166 402213787 /nfs/dbraw/zinc/21/37/87/402213787.db2.gz MSKNMAPTJVUSGH-MRXNPFEDSA-N 1 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/nfs/dbraw/zinc/23/24/57/402232457.db2.gz NRQRLUQWBOVESR-DOMZBBRYSA-N 1 0 303.406 2.028 10 0 DEAERO Cc1ccc(CC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000107527430 402234869 /nfs/dbraw/zinc/23/48/69/402234869.db2.gz KEHFPWZSEFUFIE-QGZVFWFLSA-N 1 0 301.434 2.409 10 0 DEAERO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000125480580 402234885 /nfs/dbraw/zinc/23/48/85/402234885.db2.gz LRWXQPSYGHFMOI-DYVFJYSZSA-N 1 0 309.406 2.144 10 0 DEAERO O=C(c1ccc2n[nH]nc2c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107666465 402236981 /nfs/dbraw/zinc/23/69/81/402236981.db2.gz LVMOUWUFBLYOEX-CQSZACIVSA-N 1 0 313.405 2.048 10 0 DEAERO CNC(=O)CCCN(C)Cc1noc(-c2ccccc2C)n1 ZINC000154905384 402237717 /nfs/dbraw/zinc/23/77/17/402237717.db2.gz VJRXFNWOXILUKK-UHFFFAOYSA-N 1 0 302.378 2.003 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000108929173 402264544 /nfs/dbraw/zinc/26/45/44/402264544.db2.gz MOBDYGSZNUYEGJ-GJZGRUSLSA-N 1 0 317.433 2.336 10 0 DEAERO O=C(NCc1cscn1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125702813 402245554 /nfs/dbraw/zinc/24/55/54/402245554.db2.gz XYXCXKBOLPBMPS-IUODEOHRSA-N 1 0 320.462 2.301 10 0 DEAERO CNC(=O)CCC[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000155135358 402246277 /nfs/dbraw/zinc/24/62/77/402246277.db2.gz HNTBZLUBMPWSQG-UHFFFAOYSA-N 1 0 305.353 2.439 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)c(OC)c1 ZINC000125744178 402248266 /nfs/dbraw/zinc/24/82/66/402248266.db2.gz QZWWYKYEMFTUQK-GUYCJALGSA-N 1 0 309.406 2.144 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(N2CCOC2=O)cc1 ZINC000125760201 402248625 /nfs/dbraw/zinc/24/86/25/402248625.db2.gz APSMUHUGEXJTQB-LBPRGKRZSA-N 1 0 319.405 2.209 10 0 DEAERO CC(C)[C@H](O)CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000155400004 402255842 /nfs/dbraw/zinc/25/58/42/402255842.db2.gz TXPURNLBYRCFSY-DLBZAZTESA-N 1 0 304.434 2.347 10 0 DEAERO COC[C@H](O)C[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000125935763 402257217 /nfs/dbraw/zinc/25/72/17/402257217.db2.gz JJWFAADWYMKMJP-UONOGXRCSA-N 1 0 312.841 2.026 10 0 DEAERO CCC[C@H](CC)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000108567078 402257518 /nfs/dbraw/zinc/25/75/18/402257518.db2.gz PBLLKDAZEMMXEI-DLBZAZTESA-N 1 0 324.513 2.377 10 0 DEAERO [NH3+][C@@H]1CCN(c2cc(-c3ccncc3)nc(-c3cccnc3)n2)C1 ZINC000070455884 402260507 /nfs/dbraw/zinc/26/05/07/402260507.db2.gz UKEQZRHUUDYAQY-OAHLLOKOSA-N 1 0 318.384 2.138 10 0 DEAERO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C(C)C)c(Cl)cc1F ZINC000155604934 402262266 /nfs/dbraw/zinc/26/22/66/402262266.db2.gz NJBHPMZPKNPCET-UHFFFAOYSA-N 1 0 322.833 2.406 10 0 DEAERO Ic1cnn(CC[C@H]2CCCC[NH2+]2)c1 ZINC000070677716 402262858 /nfs/dbraw/zinc/26/28/58/402262858.db2.gz HCIFSKOQXHIATK-SNVBAGLBSA-N 1 0 305.163 2.020 10 0 DEAERO CCCN(CC1CCCCC1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000105278872 402207697 /nfs/dbraw/zinc/20/76/97/402207697.db2.gz DJJKNCQZTTWRRN-INIZCTEOSA-N 1 0 311.470 2.319 10 0 DEAERO CC[C@H](C(=O)NCCc1coc(-c2ccc(F)cc2)n1)[NH+](C)C ZINC000125058345 402211037 /nfs/dbraw/zinc/21/10/37/402211037.db2.gz RSRMKIRDYRHBKG-OAHLLOKOSA-N 1 0 319.380 2.480 10 0 DEAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2noc(C)n2)C1 ZINC000176620614 402323723 /nfs/dbraw/zinc/32/37/23/402323723.db2.gz WWFYXGGAYZJAGF-CYBMUJFWSA-N 1 0 323.441 2.078 10 0 DEAERO CCn1nccc1CC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(OC)c1 ZINC000225787207 402323739 /nfs/dbraw/zinc/32/37/39/402323739.db2.gz YRPGMLGYUMTPSX-SJLPKXTDSA-N 1 0 315.417 2.262 10 0 DEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1nc(Cl)ccc1Cl ZINC000071189311 402270724 /nfs/dbraw/zinc/27/07/24/402270724.db2.gz RZFYUYONTSIVDA-VIFPVBQESA-N 1 0 302.205 2.412 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1nccn1CC(C)C ZINC000176625047 402324249 /nfs/dbraw/zinc/32/42/49/402324249.db2.gz AZHNEJURRXVPPH-OAHLLOKOSA-N 1 0 321.469 2.213 10 0 DEAERO CCc1nc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cs1 ZINC000176169293 402286723 /nfs/dbraw/zinc/28/67/23/402286723.db2.gz HHVQKCWGUKFKOA-WCQYABFASA-N 1 0 310.467 2.378 10 0 DEAERO CC(C)C[C@H](C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000184695672 402292425 /nfs/dbraw/zinc/29/24/25/402292425.db2.gz XMYKJHLHYUTRFQ-HNNXBMFYSA-N 1 0 318.465 2.132 10 0 DEAERO CCOc1ncccc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176301230 402297878 /nfs/dbraw/zinc/29/78/78/402297878.db2.gz CABUXWXEUCJDHX-ZDUSSCGKSA-N 1 0 306.410 2.428 10 0 DEAERO Cn1cc(CCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000176298937 402298167 /nfs/dbraw/zinc/29/81/67/402298167.db2.gz ALDTUPILFPILJF-MRXNPFEDSA-N 1 0 311.429 2.418 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000176364586 402303280 /nfs/dbraw/zinc/30/32/80/402303280.db2.gz DVQGOXSAAZSDCB-WFASDCNBSA-N 1 0 303.406 2.472 10 0 DEAERO C[C@H](CO)[C@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176393127 402305335 /nfs/dbraw/zinc/30/53/35/402305335.db2.gz CPOQSABHUMXHHQ-KGLIPLIRSA-N 1 0 311.470 2.100 10 0 DEAERO Cc1cccc(F)c1S(=O)(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000184975593 402314107 /nfs/dbraw/zinc/31/41/07/402314107.db2.gz BYMKCIYRXIDNHK-JSGCOSHPSA-N 1 0 314.426 2.141 10 0 DEAERO O=c1ccccn1Cc1ccc(C[NH2+][C@H]2CCSC2)cc1 ZINC000176830629 402340769 /nfs/dbraw/zinc/34/07/69/402340769.db2.gz KOTYNJGSIOMPFY-INIZCTEOSA-N 1 0 300.427 2.492 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(F)c(C)c1 ZINC000176904580 402348680 /nfs/dbraw/zinc/34/86/80/402348680.db2.gz USZNOKFYPNMUSD-AWEZNQCLSA-N 1 0 321.396 2.015 10 0 DEAERO CCOc1cc(C(=O)NC[C@H](CC[NH+](C)C)OCC)ccc1C ZINC000176904341 402348807 /nfs/dbraw/zinc/34/88/07/402348807.db2.gz YRHUETHJOCYNRF-INIZCTEOSA-N 1 0 322.449 2.480 10 0 DEAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CCC(C)(C)CC1 ZINC000185453855 402353992 /nfs/dbraw/zinc/35/39/92/402353992.db2.gz CZPGQMVVQWZXJK-OAHLLOKOSA-N 1 0 324.513 2.280 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000176974690 402355987 /nfs/dbraw/zinc/35/59/87/402355987.db2.gz TUSKASDXCFMXHK-CYBMUJFWSA-N 1 0 313.401 2.497 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cn1c(C)nc2ccccc21 ZINC000176975149 402356001 /nfs/dbraw/zinc/35/60/01/402356001.db2.gz ICDGWXOCLLAEGL-HNNXBMFYSA-N 1 0 314.433 2.287 10 0 DEAERO CCCC[C@@H](C[NH3+])Nc1ncc(Br)c(OC)n1 ZINC000232989512 402358401 /nfs/dbraw/zinc/35/84/01/402358401.db2.gz AWCOMJQBJSBANW-QMMMGPOBSA-N 1 0 303.204 2.177 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2c(C)nn(C)c2s1 ZINC000177008509 402358614 /nfs/dbraw/zinc/35/86/14/402358614.db2.gz AOLFUGVNYADNTD-LBPRGKRZSA-N 1 0 320.462 2.500 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1OC ZINC000177025525 402360859 /nfs/dbraw/zinc/36/08/59/402360859.db2.gz XPTZFCXPWPOIPV-HNNXBMFYSA-N 1 0 305.422 2.321 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(OC)cc1OC ZINC000177035544 402362275 /nfs/dbraw/zinc/36/22/75/402362275.db2.gz HEXFDVMFJIDGEA-ZDUSSCGKSA-N 1 0 306.406 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCOc1ccccc1 ZINC000177296334 402388515 /nfs/dbraw/zinc/38/85/15/402388515.db2.gz XOHIAYXIDANESF-OAHLLOKOSA-N 1 0 305.422 2.191 10 0 DEAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000177185636 402379616 /nfs/dbraw/zinc/37/96/16/402379616.db2.gz MVCZPPDYYAXJKZ-KGLIPLIRSA-N 1 0 300.406 2.438 10 0 DEAERO CN(C)c1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000185820492 402380258 /nfs/dbraw/zinc/38/02/58/402380258.db2.gz KEKNTMXQAKJZPQ-ZDUSSCGKSA-N 1 0 312.417 2.077 10 0 DEAERO C[C@H]1C[N@H+](Cc2nc3ccccc3s2)C[C@@H]1N1CCOCC1 ZINC000177220352 402382908 /nfs/dbraw/zinc/38/29/08/402382908.db2.gz KOQGUKGFLKMWHQ-ZFWWWQNUSA-N 1 0 317.458 2.449 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCNC1=O)c1cc(Br)cs1 ZINC000226394673 402327740 /nfs/dbraw/zinc/32/77/40/402327740.db2.gz SLVCSJZNWOWVSU-CBAPKCEASA-N 1 0 303.225 2.440 10 0 DEAERO COc1ccc(C[C@H](C)CN2CCO[C@H](C[NH+](C)C)C2)cc1F ZINC000185233025 402337375 /nfs/dbraw/zinc/33/73/75/402337375.db2.gz LAWNXUJGOYIKTD-GOEBONIOSA-N 1 0 324.440 2.275 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000228541175 402337498 /nfs/dbraw/zinc/33/74/98/402337498.db2.gz ULWSTDBHSWTJFS-YNEHKIRRSA-N 1 0 314.476 2.113 10 0 DEAERO Cc1ccccc1OCCC[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177265112 402386734 /nfs/dbraw/zinc/38/67/34/402386734.db2.gz TVSJBICFPLRRDL-ZWKOTPCHSA-N 1 0 318.461 2.416 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000237088186 402394735 /nfs/dbraw/zinc/39/47/35/402394735.db2.gz JHMQSLZIBXZGBT-UHFFFAOYSA-N 1 0 315.186 2.412 10 0 DEAERO COc1cccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000237356155 402405839 /nfs/dbraw/zinc/40/58/39/402405839.db2.gz PDZLQBDDPNMFCH-PVAVHDDUSA-N 1 0 302.418 2.275 10 0 DEAERO C[C@@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000237420092 402407458 /nfs/dbraw/zinc/40/74/58/402407458.db2.gz IAYQATGLJLFUJW-IUODEOHRSA-N 1 0 312.369 2.163 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000163440182 402449970 /nfs/dbraw/zinc/44/99/70/402449970.db2.gz JNFFOEVKVIXLJD-UKRRQHHQSA-N 1 0 306.406 2.177 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000162107101 402409642 /nfs/dbraw/zinc/40/96/42/402409642.db2.gz HWJXBCNMHNFZSD-OAGGEKHMSA-N 1 0 321.465 2.119 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(CNC(=O)OC)cc1)[NH+](C)C ZINC000162188758 402412633 /nfs/dbraw/zinc/41/26/33/402412633.db2.gz SFSMFFUSTAYQOD-AWEZNQCLSA-N 1 0 307.394 2.211 10 0 DEAERO C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCCC[NH3+] ZINC000237587353 402413686 /nfs/dbraw/zinc/41/36/86/402413686.db2.gz FOJFZISEQSQDHZ-ZDUSSCGKSA-N 1 0 313.401 2.309 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]CCN2CCC(C)CC2)C12CCOCC2 ZINC000186246091 402415228 /nfs/dbraw/zinc/41/52/28/402415228.db2.gz ZTAGBYKCDXHOBC-SJORKVTESA-N 1 0 310.482 2.282 10 0 DEAERO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000237681966 402417776 /nfs/dbraw/zinc/41/77/76/402417776.db2.gz CPQXBPJJEWQQLL-ZFWWWQNUSA-N 1 0 315.417 2.297 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2nccn2C(F)F)C12CCOCC2 ZINC000186290440 402418142 /nfs/dbraw/zinc/41/81/42/402418142.db2.gz VLIVSPYFAADQHN-VXGBXAGGSA-N 1 0 315.364 2.342 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000162381697 402418321 /nfs/dbraw/zinc/41/83/21/402418321.db2.gz KIGAWHIJUAMJOC-HUBLWGQQSA-N 1 0 320.437 2.101 10 0 DEAERO CCOc1cccnc1C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186290486 402418314 /nfs/dbraw/zinc/41/83/14/402418314.db2.gz WMCKFPGHHPZAPA-AWEZNQCLSA-N 1 0 305.422 2.475 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CCN(C)C2CCCC2)C12CCOCC2 ZINC000186323673 402420888 /nfs/dbraw/zinc/42/08/88/402420888.db2.gz HOARIGLLWSOKFP-IAGOWNOFSA-N 1 0 310.482 2.425 10 0 DEAERO CCC[C@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[nH]1)[NH+](C)C ZINC000162499794 402422224 /nfs/dbraw/zinc/42/22/24/402422224.db2.gz QNPSUDQWQDEZFS-GFCCVEGCSA-N 1 0 318.377 2.018 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)nc21 ZINC000237828864 402422805 /nfs/dbraw/zinc/42/28/05/402422805.db2.gz UMSHLYIEBFINSQ-PBWFPOADSA-N 1 0 312.417 2.203 10 0 DEAERO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000186349133 402423994 /nfs/dbraw/zinc/42/39/94/402423994.db2.gz BQSWDSNCSYKYCW-GDBMZVCRSA-N 1 0 313.401 2.490 10 0 DEAERO CC1(C)OCc2cc(C[NH2+]CCCN3CCCC3=O)ccc2O1 ZINC000186359587 402424581 /nfs/dbraw/zinc/42/45/81/402424581.db2.gz FIMBIKRCNOLEMX-UHFFFAOYSA-N 1 0 318.417 2.434 10 0 DEAERO Cc1cc2c(cc1C)O[C@H](C(=O)NCC[C@H]1CCC[NH2+]C1)C2 ZINC000237895919 402424971 /nfs/dbraw/zinc/42/49/71/402424971.db2.gz XBGUTNBYGQSSTH-PBHICJAKSA-N 1 0 302.418 2.113 10 0 DEAERO C[C@@H]([NH2+]CC1(O)CCOCC1)c1ccc(OC(F)F)cc1 ZINC000162586997 402425358 /nfs/dbraw/zinc/42/53/58/402425358.db2.gz RPXYYPGVBGHLGU-LLVKDONJSA-N 1 0 301.333 2.480 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NCc1cccs1 ZINC000177695986 402427031 /nfs/dbraw/zinc/42/70/31/402427031.db2.gz PKUKICRGUIFFKW-UONOGXRCSA-N 1 0 309.479 2.169 10 0 DEAERO O=C([C@H]1CC12CC[NH2+]CC2)N1CCC(Oc2ccccc2)CC1 ZINC000237992014 402430685 /nfs/dbraw/zinc/43/06/85/402430685.db2.gz LQIBAUIVVPWUKU-QGZVFWFLSA-N 1 0 314.429 2.446 10 0 DEAERO [NH3+]Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1 ZINC000186444824 402431603 /nfs/dbraw/zinc/43/16/03/402431603.db2.gz ZADATNUSGRVHPT-UHFFFAOYSA-N 1 0 306.369 2.261 10 0 DEAERO Cc1cccc(C)c1OC[C@@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177754404 402432783 /nfs/dbraw/zinc/43/27/83/402432783.db2.gz XILKERCIDTVUQE-MSOLQXFVSA-N 1 0 318.461 2.213 10 0 DEAERO [NH3+]CC1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000238031138 402433221 /nfs/dbraw/zinc/43/32/21/402433221.db2.gz HEMOLFJVJHJENZ-UHFFFAOYSA-N 1 0 317.252 2.250 10 0 DEAERO CCN(C(C)=O)c1nc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cs1 ZINC000177767382 402433809 /nfs/dbraw/zinc/43/38/09/402433809.db2.gz ROCLYQRGKANYGQ-OAHLLOKOSA-N 1 0 322.478 2.186 10 0 DEAERO CCc1noc2ncc(C(=O)N(C[C@@H]3CCC[NH2+]3)C3CC3)cc12 ZINC000186511601 402437738 /nfs/dbraw/zinc/43/77/38/402437738.db2.gz YWIFCNZPHWRGKG-LBPRGKRZSA-N 1 0 314.389 2.142 10 0 DEAERO COc1ccccc1OCCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186552332 402441076 /nfs/dbraw/zinc/44/10/76/402441076.db2.gz MVKIGLVIQJZOMA-AWEZNQCLSA-N 1 0 318.417 2.207 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186722216 402459868 /nfs/dbraw/zinc/45/98/68/402459868.db2.gz JMOUDCZUESPVMZ-UHFFFAOYSA-N 1 0 320.481 2.251 10 0 DEAERO CC(C)[C@H](NC(=O)C[N@H+](C)CC1(CO)CC1)c1ccccc1 ZINC000186804751 402465523 /nfs/dbraw/zinc/46/55/23/402465523.db2.gz VHDJEBJYGXIGMD-KRWDZBQOSA-N 1 0 304.434 2.204 10 0 DEAERO Cc1ccccc1O[C@H](C)CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245496490 402465963 /nfs/dbraw/zinc/46/59/63/402465963.db2.gz RMORKUUJKDPKNQ-CVEARBPZSA-N 1 0 317.433 2.252 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)c1cnc(Cl)cn1)c1ccccc1 ZINC000178161972 402466585 /nfs/dbraw/zinc/46/65/85/402466585.db2.gz VKLXODWTKFUEPY-CYBMUJFWSA-N 1 0 304.781 2.163 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246138524 402512476 /nfs/dbraw/zinc/51/24/76/402512476.db2.gz KEUDPLFNDSXABD-TZMCWYRMSA-N 1 0 314.426 2.141 10 0 DEAERO CN(CC1(CO)CC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000186915701 402471117 /nfs/dbraw/zinc/47/11/17/402471117.db2.gz QNOUULHPDZJRBB-UHFFFAOYSA-N 1 0 311.470 2.055 10 0 DEAERO 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ZINC000190660688 402616456 /nfs/dbraw/zinc/61/64/56/402616456.db2.gz MQYUSFGNZZJMDM-LBPRGKRZSA-N 1 0 310.369 2.286 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC000190669741 402617038 /nfs/dbraw/zinc/61/70/38/402617038.db2.gz UNBWRPPLOPNEGI-GDBMZVCRSA-N 1 0 311.470 2.175 10 0 DEAERO C[C@H](OCc1ccccc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000249056361 402618981 /nfs/dbraw/zinc/61/89/81/402618981.db2.gz XRMVYFMNERKIHI-VYDXJSESSA-N 1 0 302.418 2.287 10 0 DEAERO CC1(C)Cc2cc(C[NH2+]CCCN3CCOC3=O)ccc2O1 ZINC000171764114 402619487 /nfs/dbraw/zinc/61/94/87/402619487.db2.gz IVKLVNGQEPUFKE-UHFFFAOYSA-N 1 0 304.390 2.332 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000249092463 402619975 /nfs/dbraw/zinc/61/99/75/402619975.db2.gz WNXYTNDKKBEJSD-FXUDXRNXSA-N 1 0 306.450 2.323 10 0 DEAERO COC[C@@H](C)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000249188603 402622972 /nfs/dbraw/zinc/62/29/72/402622972.db2.gz MLPYNXMFXFLDBL-ZFWWWQNUSA-N 1 0 305.422 2.323 10 0 DEAERO CCC[C@@H](C(=O)NC[C@H]1COC2(CCCCCC2)O1)[NH+](C)C ZINC000180874329 402628614 /nfs/dbraw/zinc/62/86/14/402628614.db2.gz JGGMEZOBCUFNRE-GJZGRUSLSA-N 1 0 312.454 2.299 10 0 DEAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000249243310 402623665 /nfs/dbraw/zinc/62/36/65/402623665.db2.gz SEVUWSVEUUVOKI-BFHYXJOUSA-N 1 0 315.421 2.221 10 0 DEAERO CCn1cc([C@@H]2CN(CCOc3ccccc3)CCO2)cn1 ZINC000190799837 402623797 /nfs/dbraw/zinc/62/37/97/402623797.db2.gz OQHWUXOBDIGQOM-KRWDZBQOSA-N 1 0 301.390 2.355 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000249252892 402624191 /nfs/dbraw/zinc/62/41/91/402624191.db2.gz YBWISXNQGNOUCZ-HOCLYGCPSA-N 1 0 317.433 2.122 10 0 DEAERO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](Cc2cncnc2)C1 ZINC000180718284 402624354 /nfs/dbraw/zinc/62/43/54/402624354.db2.gz XJMBURQEZNBPDW-DLBZAZTESA-N 1 0 311.385 2.255 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCC1CCCC1 ZINC000171901307 402632507 /nfs/dbraw/zinc/63/25/07/402632507.db2.gz OFWJCZHNEUFXAQ-MRXNPFEDSA-N 1 0 311.470 2.367 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1cccs1 ZINC000171898133 402632526 /nfs/dbraw/zinc/63/25/26/402632526.db2.gz KSLZLSGVLSSPQS-OLZOCXBDSA-N 1 0 311.451 2.219 10 0 DEAERO C[C@H](C1CC1)N(C(=O)C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1)C1CC1 ZINC000249600174 402636324 /nfs/dbraw/zinc/63/63/24/402636324.db2.gz XXUSTPCPXUGXMY-LBTNJELSSA-N 1 0 308.466 2.259 10 0 DEAERO C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000249684091 402638182 /nfs/dbraw/zinc/63/81/82/402638182.db2.gz CTEFURTWYWHNGK-GDBMZVCRSA-N 1 0 320.408 2.458 10 0 DEAERO CC[C@H](C)NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000249730118 402639632 /nfs/dbraw/zinc/63/96/32/402639632.db2.gz ZMLKAPXYKDGINS-GJZGRUSLSA-N 1 0 320.433 2.212 10 0 DEAERO Cn1c(CN2CC[C@@H](C[NH+]3CCCC3)C2)nnc1C1CCC1 ZINC000181369234 402642996 /nfs/dbraw/zinc/64/29/96/402642996.db2.gz MANOHAUDLJIVSK-AWEZNQCLSA-N 1 0 303.454 2.000 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000191140232 402644880 /nfs/dbraw/zinc/64/48/80/402644880.db2.gz DZNYVETZJSEGQG-YOEHRIQHSA-N 1 0 320.433 2.058 10 0 DEAERO Cc1cccc(C)c1OC[C@H](O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191152508 402645914 /nfs/dbraw/zinc/64/59/14/402645914.db2.gz JMXOSSFRTCNOQU-YQQAZPJKSA-N 1 0 307.434 2.277 10 0 DEAERO O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346841 402651628 /nfs/dbraw/zinc/65/16/28/402651628.db2.gz UPJBELIGYOLJBS-SFHVURJKSA-N 1 0 313.445 2.176 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347942 402651863 /nfs/dbraw/zinc/65/18/63/402651863.db2.gz HLPMCZUWQILETR-LBPRGKRZSA-N 1 0 323.387 2.462 10 0 DEAERO Oc1cccc(N2CC[NH+](C[C@H](O)C3CCCCC3)CC2)c1 ZINC000191270951 402656047 /nfs/dbraw/zinc/65/60/47/402656047.db2.gz DYCFNPFEJCXOHP-SFHVURJKSA-N 1 0 304.434 2.455 10 0 DEAERO Cc1ccccc1CN(C)C(=O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191269346 402656053 /nfs/dbraw/zinc/65/60/53/402656053.db2.gz YZXINDWNTZSBNG-GJZGRUSLSA-N 1 0 304.434 2.187 10 0 DEAERO CO[C@H](C)CCC(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000181781821 402656941 /nfs/dbraw/zinc/65/69/41/402656941.db2.gz VVEMGQROWRMFGG-CYBMUJFWSA-N 1 0 321.421 2.308 10 0 DEAERO Cc1nc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)sc1C ZINC000173645852 402705903 /nfs/dbraw/zinc/70/59/03/402705903.db2.gz PZMZUNUKPVCJBH-CYBMUJFWSA-N 1 0 308.451 2.140 10 0 DEAERO CN(C)c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c2ccccc2n1 ZINC000182743082 402713409 /nfs/dbraw/zinc/71/34/09/402713409.db2.gz AFVRYLFSBYWISO-ZDUSSCGKSA-N 1 0 312.417 2.125 10 0 DEAERO [NH3+][C@H](C(=O)N1CCSC2(CCCCC2)C1)C1CCOCC1 ZINC000262077007 402721916 /nfs/dbraw/zinc/72/19/16/402721916.db2.gz SVMMCQRBFSFKJX-AWEZNQCLSA-N 1 0 312.479 2.019 10 0 DEAERO Cc1cc(N2CC[C@H]([N@@H+]3CC[C@H](CC(C)C)C3)C2=O)n(C)n1 ZINC000173910110 402718682 /nfs/dbraw/zinc/71/86/82/402718682.db2.gz GQCYNGBPMCCPCP-CABCVRRESA-N 1 0 304.438 2.202 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(Br)n1 ZINC000252736574 402660791 /nfs/dbraw/zinc/66/07/91/402660791.db2.gz XEGWPBNZYPIHHV-MNOVXSKESA-N 1 0 324.222 2.153 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCCN(Cc3cccc4c3OCCO4)[C@H]2C1 ZINC000252801865 402660975 /nfs/dbraw/zinc/66/09/75/402660975.db2.gz MRXLFWZBKJRFPS-PMPSAXMXSA-N 1 0 319.401 2.226 10 0 DEAERO COc1ccc(NC(=O)CCN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000172543379 402661765 /nfs/dbraw/zinc/66/17/65/402661765.db2.gz GKBBDEIGFKBRLS-UHFFFAOYSA-N 1 0 317.433 2.194 10 0 DEAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCC(C)(C)O2)C1 ZINC000253146506 402661932 /nfs/dbraw/zinc/66/19/32/402661932.db2.gz KHNTVVIEEANISQ-HUUCEWRRSA-N 1 0 311.470 2.221 10 0 DEAERO CC(C)CC[C@](C)(O)CNC(=O)NCCC[NH+]1CCCCC1 ZINC000172596332 402665026 /nfs/dbraw/zinc/66/50/26/402665026.db2.gz OWZSFSULVYDZRA-KRWDZBQOSA-N 1 0 313.486 2.349 10 0 DEAERO C[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000253609673 402670066 /nfs/dbraw/zinc/67/00/66/402670066.db2.gz NTFMRPTWFVUGNN-CHWSQXEVSA-N 1 0 301.390 2.223 10 0 DEAERO C[NH+](C)CCn1ccc(NC(=O)NC/C=C\c2ccccc2)n1 ZINC000254952531 402672943 /nfs/dbraw/zinc/67/29/43/402672943.db2.gz LVPJOGXJIDXXOS-TWGQIWQCSA-N 1 0 313.405 2.280 10 0 DEAERO CC(C)CCC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000172752481 402673640 /nfs/dbraw/zinc/67/36/40/402673640.db2.gz APJDAUWTTOTZDP-UHFFFAOYSA-N 1 0 309.498 2.489 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172800547 402675670 /nfs/dbraw/zinc/67/56/70/402675670.db2.gz DVICQXBLWDNBMY-GXTWGEPZSA-N 1 0 323.387 2.462 10 0 DEAERO O=C(NCC[NH+]1CCCC1)c1cnc(-c2ccncc2)s1 ZINC000172826318 402677409 /nfs/dbraw/zinc/67/74/09/402677409.db2.gz NQOCABBGENCRLT-UHFFFAOYSA-N 1 0 302.403 2.031 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1cnc2ccccc2n1 ZINC000255071153 402677720 /nfs/dbraw/zinc/67/77/20/402677720.db2.gz IKZIEUVMXJGVCO-PLDWVVQRSA-N 1 0 322.412 2.338 10 0 DEAERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182274827 402678449 /nfs/dbraw/zinc/67/84/49/402678449.db2.gz WEVTVQVNWZQAIJ-INIZCTEOSA-N 1 0 317.437 2.273 10 0 DEAERO CC1(C)COCCN1CCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000172900234 402679301 /nfs/dbraw/zinc/67/93/01/402679301.db2.gz MMMZKUSTMSTICB-HZPDHXFCSA-N 1 0 308.466 2.430 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccoc3)C2=O)n(C)n1 ZINC000182341755 402682351 /nfs/dbraw/zinc/68/23/51/402682351.db2.gz UTUJXHOXDNDFKE-TZMCWYRMSA-N 1 0 302.378 2.168 10 0 DEAERO CCCC[C@H](COC)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182352491 402682884 /nfs/dbraw/zinc/68/28/84/402682884.db2.gz YFPDIUCHTSEGOU-HUUCEWRRSA-N 1 0 322.453 2.019 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000182367495 402684288 /nfs/dbraw/zinc/68/42/88/402684288.db2.gz YKAZBHAEQBGHPE-GFCCVEGCSA-N 1 0 318.343 2.050 10 0 DEAERO Cc1nn(C(C)(C)C)cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000182430612 402689529 /nfs/dbraw/zinc/68/95/29/402689529.db2.gz AWUQPXFBLTYZLQ-GXTWGEPZSA-N 1 0 304.438 2.255 10 0 DEAERO Cc1ccccc1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000173272534 402690043 /nfs/dbraw/zinc/69/00/43/402690043.db2.gz DQXMXMQKGOSGRR-KRWDZBQOSA-N 1 0 315.461 2.237 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)CC2CCCCC2)CC[N@@H+]1C ZINC000173276777 402690767 /nfs/dbraw/zinc/69/07/67/402690767.db2.gz KTICVGNZJXQAOL-UKRRQHHQSA-N 1 0 302.484 2.311 10 0 DEAERO C[C@H]1C[N@H+](CCCOCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000182452157 402691155 /nfs/dbraw/zinc/69/11/55/402691155.db2.gz SJRZFAHGKKFUSL-HKUYNNGSSA-N 1 0 318.461 2.246 10 0 DEAERO CCC(CC)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173421387 402696855 /nfs/dbraw/zinc/69/68/55/402696855.db2.gz LYYKORQLJHBGDR-ZDUSSCGKSA-N 1 0 305.426 2.040 10 0 DEAERO C[NH+](C)CCn1ccc(NC(=O)NC/C=C/c2ccccc2)n1 ZINC000173939968 402720765 /nfs/dbraw/zinc/72/07/65/402720765.db2.gz LVPJOGXJIDXXOS-RMKNXTFCSA-N 1 0 313.405 2.280 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(C)C)nn1C ZINC000173493077 402700250 /nfs/dbraw/zinc/70/02/50/402700250.db2.gz DNFBFPVLJQOERT-ZIAGYGMSSA-N 1 0 304.438 2.242 10 0 DEAERO CSCCC[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191981206 402701903 /nfs/dbraw/zinc/70/19/03/402701903.db2.gz XKZNQNNBDUSDMY-UHFFFAOYSA-N 1 0 316.511 2.477 10 0 DEAERO CCN(C)C(=O)CC[NH+]1CCC(Oc2ccc(C)cn2)CC1 ZINC000182842930 402720929 /nfs/dbraw/zinc/72/09/29/402720929.db2.gz IEYXLAMJAPKQCI-UHFFFAOYSA-N 1 0 305.422 2.102 10 0 DEAERO CCOCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174106786 402726983 /nfs/dbraw/zinc/72/69/83/402726983.db2.gz MMWQOORDKRZREL-CVEARBPZSA-N 1 0 311.470 2.460 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](C)COc1ccccc1OC ZINC000262576221 402727348 /nfs/dbraw/zinc/72/73/48/402727348.db2.gz ONZWJDQJJNUYFE-HEHGZKQESA-N 1 0 308.422 2.200 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H](O)c2cc3ccccc3s2)C1 ZINC000262647496 402729130 /nfs/dbraw/zinc/72/91/30/402729130.db2.gz SRYISHFZKZSXAH-UPJWGTAASA-N 1 0 304.415 2.178 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H](CN(C)C)c2ccccc2)c(C)o1 ZINC000183050994 402735638 /nfs/dbraw/zinc/73/56/38/402735638.db2.gz MADYPCUIKNSJPQ-OAHLLOKOSA-N 1 0 322.430 2.478 10 0 DEAERO C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192590922 402739426 /nfs/dbraw/zinc/73/94/26/402739426.db2.gz FUCUAUCDEVZGON-LLVKDONJSA-N 1 0 308.447 2.487 10 0 DEAERO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CN1C1CC1 ZINC000192626662 402741212 /nfs/dbraw/zinc/74/12/12/402741212.db2.gz YPZLGRXPHUGVLW-AAEUAGOBSA-N 1 0 317.458 2.315 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NCc2cccc(OC)n2)CC1 ZINC000174469187 402743000 /nfs/dbraw/zinc/74/30/00/402743000.db2.gz XWJFMAPJOOMJQI-UHFFFAOYSA-N 1 0 320.437 2.011 10 0 DEAERO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183156355 402743443 /nfs/dbraw/zinc/74/34/43/402743443.db2.gz NVDPPLCQFRBJNJ-KBPBESRZSA-N 1 0 300.406 2.438 10 0 DEAERO CC(=O)Nc1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000192781020 402749917 /nfs/dbraw/zinc/74/99/17/402749917.db2.gz PPUGDNRYXLENMN-UHFFFAOYSA-N 1 0 304.394 2.203 10 0 DEAERO C[C@@H](c1nc([C@H]2C[NH2+]CCN2C)no1)c1cccc(Cl)c1 ZINC000263303495 402756310 /nfs/dbraw/zinc/75/63/10/402756310.db2.gz XLNLRHZZWFEXQJ-ZWNOBZJWSA-N 1 0 306.797 2.451 10 0 DEAERO C[C@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)c1cccc(Cl)c1 ZINC000263303492 402756431 /nfs/dbraw/zinc/75/64/31/402756431.db2.gz XLNLRHZZWFEXQJ-GWCFXTLKSA-N 1 0 306.797 2.451 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(C(C)(C)C)c1 ZINC000175013233 402771567 /nfs/dbraw/zinc/77/15/67/402771567.db2.gz CASOFIADTFVKAN-LSDHHAIUSA-N 1 0 304.438 2.337 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(F)ccc1F ZINC000175041818 402774080 /nfs/dbraw/zinc/77/40/80/402774080.db2.gz PPALJVTWFRSRTP-ZIAGYGMSSA-N 1 0 323.387 2.462 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C(=O)N(C)C)c1 ZINC000175043898 402774150 /nfs/dbraw/zinc/77/41/50/402774150.db2.gz BMRHOEUSNZSONH-QZTJIDSGSA-N 1 0 315.461 2.447 10 0 DEAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnccc2N(C)C)C1 ZINC000183534107 402774530 /nfs/dbraw/zinc/77/45/30/402774530.db2.gz YLBPUBRAMHQIPS-AWEZNQCLSA-N 1 0 318.465 2.388 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccco2)o1 ZINC000175052511 402774807 /nfs/dbraw/zinc/77/48/07/402774807.db2.gz JKHUHRBJFPXMPK-CHWSQXEVSA-N 1 0 302.378 2.388 10 0 DEAERO Cc1nc(C(F)(F)F)c(CN2CCO[C@@H](C[NH+](C)C)C2)s1 ZINC000183582088 402778320 /nfs/dbraw/zinc/77/83/20/402778320.db2.gz YSPNIYBJRBHBKX-JTQLQIEISA-N 1 0 323.384 2.233 10 0 DEAERO CC1CC[NH+](CCCCNC(=O)Nc2ccc(=O)n(C)c2)CC1 ZINC000193936869 402779310 /nfs/dbraw/zinc/77/93/10/402779310.db2.gz OOGSHEXLWYJYPD-UHFFFAOYSA-N 1 0 320.437 2.019 10 0 DEAERO COC(=O)c1coc(C(=O)N(CC[NH+](C)C)c2ccccc2)c1 ZINC000184453551 402844690 /nfs/dbraw/zinc/84/46/90/402844690.db2.gz SGVIGNOBQWAVDF-UHFFFAOYSA-N 1 0 316.357 2.275 10 0 DEAERO COC(=O)c1coc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000183717783 402791438 /nfs/dbraw/zinc/79/14/38/402791438.db2.gz URRZSONJRJVNCH-CQSZACIVSA-N 1 0 316.357 2.099 10 0 DEAERO CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000183745623 402794292 /nfs/dbraw/zinc/79/42/92/402794292.db2.gz XAWPCHHSLIJACJ-BBWFWOEESA-N 1 0 323.481 2.460 10 0 DEAERO CCCc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[nH]c(C)c1C(C)=O ZINC000195335161 402842261 /nfs/dbraw/zinc/84/22/61/402842261.db2.gz DIBPQTMNHCXNFJ-CQSZACIVSA-N 1 0 317.433 2.398 10 0 DEAERO Cc1cc2c(cc1NC(=O)N1CC[N@@H+]3CCCC[C@@H]3C1)OCO2 ZINC000183804935 402799258 /nfs/dbraw/zinc/79/92/58/402799258.db2.gz WZDVFJKOZSCGIQ-CYBMUJFWSA-N 1 0 317.389 2.426 10 0 DEAERO C[NH+]1CCC(C[NH2+]C[C@@H]2CCC=CO2)(N2CCCCC2)CC1 ZINC000194485116 402799630 /nfs/dbraw/zinc/79/96/30/402799630.db2.gz LAYYCTZKCMIYTK-KRWDZBQOSA-N 1 0 307.482 2.219 10 0 DEAERO O=C(/C=C/c1cnc2ccccc2n1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194508153 402800924 /nfs/dbraw/zinc/80/09/24/402800924.db2.gz ZIKLMBSUXVSGFP-RMKNXTFCSA-N 1 0 322.412 2.340 10 0 DEAERO O=C(CCCc1nc2ccccc2[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195330815 402842533 /nfs/dbraw/zinc/84/25/33/402842533.db2.gz WENITQWRAXJZLK-AWEZNQCLSA-N 1 0 312.417 2.192 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)Cc1cccc(C)c1 ZINC000175393440 402802673 /nfs/dbraw/zinc/80/26/73/402802673.db2.gz YADVIXQLNKTBSM-INIZCTEOSA-N 1 0 310.463 2.241 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(F)cccc1F ZINC000175399534 402803107 /nfs/dbraw/zinc/80/31/07/402803107.db2.gz BDJQJIZJOOOABI-LLVKDONJSA-N 1 0 318.389 2.070 10 0 DEAERO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2ccncn2)C1 ZINC000183874792 402803151 /nfs/dbraw/zinc/80/31/51/402803151.db2.gz BEFPAPNJJMYZSP-KXPUMZMLSA-N 1 0 308.385 2.009 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(C)ccc1C ZINC000175399515 402803152 /nfs/dbraw/zinc/80/31/52/402803152.db2.gz NGNQKFOFKMZNIA-HNNXBMFYSA-N 1 0 310.463 2.408 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C)cc1F ZINC000175399863 402803176 /nfs/dbraw/zinc/80/31/76/402803176.db2.gz QOHFGFMHSJGZPS-CYBMUJFWSA-N 1 0 314.426 2.239 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OC)cc1O ZINC000175437215 402806712 /nfs/dbraw/zinc/80/67/12/402806712.db2.gz NAICCMOWEACTDT-QWHCGFSZSA-N 1 0 304.390 2.100 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccn1Cc1cccs1 ZINC000194690773 402810318 /nfs/dbraw/zinc/81/03/18/402810318.db2.gz DTCRBBIMFMZIOD-ZDUSSCGKSA-N 1 0 303.431 2.422 10 0 DEAERO CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000175587165 402819514 /nfs/dbraw/zinc/81/95/14/402819514.db2.gz HWTLZPIRDKAXNH-MAUKXSAKSA-N 1 0 304.434 2.238 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2ncccc2Br)CC1 ZINC000194877025 402820393 /nfs/dbraw/zinc/82/03/93/402820393.db2.gz MQRYTJPXYDTDLL-UHFFFAOYSA-N 1 0 312.211 2.010 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc2c(c1)sc(=O)n2C ZINC000195022315 402827447 /nfs/dbraw/zinc/82/74/47/402827447.db2.gz KEJJWYGQTHTOMC-TZMCWYRMSA-N 1 0 317.458 2.269 10 0 DEAERO O=C(CCOCc1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195048614 402828902 /nfs/dbraw/zinc/82/89/02/402828902.db2.gz FWCWITMBNYANPL-KRWDZBQOSA-N 1 0 302.418 2.290 10 0 DEAERO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(C)s2)CC1 ZINC000175782853 402832163 /nfs/dbraw/zinc/83/21/63/402832163.db2.gz BPYHGNIDGVCTRJ-CYBMUJFWSA-N 1 0 324.494 2.452 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]3C)cc2)CC1 ZINC000175832864 402836930 /nfs/dbraw/zinc/83/69/30/402836930.db2.gz RHXKUXDDMUMWDC-OAHLLOKOSA-N 1 0 301.434 2.453 10 0 DEAERO Cc1nc(CCCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cs1 ZINC000175893254 402841165 /nfs/dbraw/zinc/84/11/65/402841165.db2.gz KGLVRGKNFRHZGE-HNNXBMFYSA-N 1 0 307.463 2.471 10 0 DEAERO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@H](C(=O)NC)C(C)C)cc1 ZINC000183663610 402786369 /nfs/dbraw/zinc/78/63/69/402786369.db2.gz VFVABLREGXZSQR-GUYCJALGSA-N 1 0 319.449 2.499 10 0 DEAERO Cc1cc(C)n(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)n1 ZINC000195313406 402841764 /nfs/dbraw/zinc/84/17/64/402841764.db2.gz XYZCBWCTVPXARY-SFHVURJKSA-N 1 0 324.428 2.409 10 0 DEAERO CC(C)COC[C@H](O)CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195404093 402844871 /nfs/dbraw/zinc/84/48/71/402844871.db2.gz HMELCYKRNKJHMP-ZIAGYGMSSA-N 1 0 311.426 2.363 10 0 DEAERO Cn1c(CN2CCC(C[NH+]3CCCC3)CC2)nnc1C1CC1 ZINC000195431408 402845035 /nfs/dbraw/zinc/84/50/35/402845035.db2.gz OSOAGZLEKOEDGQ-UHFFFAOYSA-N 1 0 303.454 2.000 10 0 DEAERO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506566 402848306 /nfs/dbraw/zinc/84/83/06/402848306.db2.gz VOBKRVIODGFNLE-AWEZNQCLSA-N 1 0 312.417 2.294 10 0 DEAERO C[C@H]1CCCCN1C(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195513268 402848789 /nfs/dbraw/zinc/84/87/89/402848789.db2.gz CPPMDZMTKVRURB-AWEZNQCLSA-N 1 0 304.438 2.001 10 0 DEAERO NC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)cc1 ZINC000281806159 403093355 /nfs/dbraw/zinc/09/33/55/403093355.db2.gz KVGDRMHXDDNSEH-SJORKVTESA-N 1 0 314.360 2.233 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000299243331 403553993 /nfs/dbraw/zinc/55/39/93/403553993.db2.gz KURMTMSZUIDLNS-INIZCTEOSA-N 1 0 317.433 2.375 10 0 DEAERO CCc1cc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)n2ncnc2n1 ZINC000301203190 403600762 /nfs/dbraw/zinc/60/07/62/403600762.db2.gz RBADBDVGFGSFJQ-CYBMUJFWSA-N 1 0 300.410 2.116 10 0 DEAERO CCNC(=O)c1ccc(N2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000301336420 403616306 /nfs/dbraw/zinc/61/63/06/403616306.db2.gz DAWBAVYJAPGFLN-UHFFFAOYSA-N 1 0 316.449 2.144 10 0 DEAERO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1c1ncnc2ccccc21 ZINC000301591437 403651662 /nfs/dbraw/zinc/65/16/62/403651662.db2.gz YEGICFUWJDFLPC-CABCVRRESA-N 1 0 312.417 2.055 10 0 DEAERO C[N@@H+]1CCO[C@H]2CN(c3ccnc4ccc(Cl)cc43)C[C@H]21 ZINC000301628862 403656765 /nfs/dbraw/zinc/65/67/65/403656765.db2.gz BUFOYLRWCHLRBA-CVEARBPZSA-N 1 0 303.793 2.407 10 0 DEAERO Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3[C@@H]4CCO[C@@H]4C3(C)C)C2)nn1 ZINC000333324664 403725046 /nfs/dbraw/zinc/72/50/46/403725046.db2.gz QAOQSRUTWBGAQD-OHFALNGGSA-N 1 0 316.449 2.157 10 0 DEAERO O=C(N[C@@H]1CCCN(c2ccccc2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333440360 403752304 /nfs/dbraw/zinc/75/23/04/403752304.db2.gz WAPZRUTVBVXCSV-HZPDHXFCSA-N 1 0 316.449 2.097 10 0 DEAERO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)NCc1ccccc1 ZINC000303678955 403756476 /nfs/dbraw/zinc/75/64/76/403756476.db2.gz RGZFSBJEOYKMJH-RCCFBDPRSA-N 1 0 316.445 2.318 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000333674469 403810819 /nfs/dbraw/zinc/81/08/19/403810819.db2.gz NSOJIHCKMJTXOD-CYBMUJFWSA-N 1 0 312.417 2.378 10 0 DEAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000343977766 403819713 /nfs/dbraw/zinc/81/97/13/403819713.db2.gz KBNIXYCUFIPYKG-JSGCOSHPSA-N 1 0 319.323 2.209 10 0 DEAERO C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000333720837 403831557 /nfs/dbraw/zinc/83/15/57/403831557.db2.gz GOOQHEBKIAPULO-VBNZEHGJSA-N 1 0 321.396 2.049 10 0 DEAERO CC(C)(C)[C@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)CCO1 ZINC000333557449 403780667 /nfs/dbraw/zinc/78/06/67/403780667.db2.gz KZXKDKOWBIHWQH-LSDHHAIUSA-N 1 0 323.481 2.365 10 0 DEAERO O=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@H]1CCCC[NH2+]C1 ZINC000333733711 403836966 /nfs/dbraw/zinc/83/69/66/403836966.db2.gz WOAYQTWKMIBJRJ-NSHDSACASA-N 1 0 320.817 2.041 10 0 DEAERO CC1(C)C[C@@H](O)CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000295192342 403790409 /nfs/dbraw/zinc/79/04/09/403790409.db2.gz ASVIUYQPGXOXON-IRXDYDNUSA-N 1 0 307.434 2.047 10 0 DEAERO CN1C(=O)CC[C@@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1=O ZINC000333619414 403794752 /nfs/dbraw/zinc/79/47/52/403794752.db2.gz TYIZMUZIYQBNHE-KGLIPLIRSA-N 1 0 314.385 2.170 10 0 DEAERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)[C@H]1CCCCO1 ZINC000333630432 403797564 /nfs/dbraw/zinc/79/75/64/403797564.db2.gz ARBQZZULUUTLSD-UAGQMJEPSA-N 1 0 318.417 2.255 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000333634278 403798155 /nfs/dbraw/zinc/79/81/55/403798155.db2.gz HDAZLNSJTPSPRB-BPLDGKMQSA-N 1 0 302.422 2.172 10 0 DEAERO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nnnn3CC1)CCCO2 ZINC000333800548 403865294 /nfs/dbraw/zinc/86/52/94/403865294.db2.gz YBHRDGQCZNQWFH-GXTWGEPZSA-N 1 0 317.368 2.021 10 0 DEAERO COc1ccc(C[NH2+]CC2CC(O)C2)c(Br)c1 ZINC000310448864 403966328 /nfs/dbraw/zinc/96/63/28/403966328.db2.gz ZMYABJBDORVSLZ-UHFFFAOYSA-N 1 0 300.196 2.318 10 0 DEAERO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329045869 404212662 /nfs/dbraw/zinc/21/26/62/404212662.db2.gz UWBOQNILSZDTFO-CTNYNGJSSA-N 1 0 316.449 2.393 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)CC2 ZINC000369638034 404175463 /nfs/dbraw/zinc/17/54/63/404175463.db2.gz KTHPMEFNJWTZNK-OLZOCXBDSA-N 1 0 318.465 2.237 10 0 DEAERO c1ccc(C[N@@H+]2CCCO[C@H](CN3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000341890562 404238223 /nfs/dbraw/zinc/23/82/23/404238223.db2.gz ALHPISGLJIUWOK-OTWHNJEPSA-N 1 0 316.445 2.141 10 0 DEAERO O=C1NCC[C@H]1[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000329129792 404239239 /nfs/dbraw/zinc/23/92/39/404239239.db2.gz NYQJXPWVKYBNOV-PBFPGSCMSA-N 1 0 316.405 2.104 10 0 DEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(Br)c1F ZINC000296862859 404347111 /nfs/dbraw/zinc/34/71/11/404347111.db2.gz PCCVWDNHHQRZOU-GZMMTYOYSA-N 1 0 315.186 2.345 10 0 DEAERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C[C@H]1CCCCNC1=O ZINC000329300775 404295154 /nfs/dbraw/zinc/29/51/54/404295154.db2.gz VUFXUCRZKNHWML-CABCVRRESA-N 1 0 309.454 2.466 10 0 DEAERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2nnnn2C2CC2)C1 ZINC000329625889 404397199 /nfs/dbraw/zinc/39/71/99/404397199.db2.gz OSSHKWBWNUOIAC-BVUBDWEXSA-N 1 0 319.453 2.160 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@H+]([C@H](C)CN1CCOCC1)CC2 ZINC000364907453 404543474 /nfs/dbraw/zinc/54/34/74/404543474.db2.gz XZEWOYVRAYWMJN-OAHLLOKOSA-N 1 0 316.445 2.011 10 0 DEAERO COC(=O)CC1(CC(=O)N2CCC[C@@H]([NH+](C)C)CC2)CCCC1 ZINC000365298063 404605776 /nfs/dbraw/zinc/60/57/76/404605776.db2.gz XUVKXFPWNFNCSX-OAHLLOKOSA-N 1 0 324.465 2.443 10 0 DEAERO CC(C)(C)CN1CCC[C@H]([N@@H+]2CCc3cc[nH]c(=O)c3C2)C1=O ZINC000330270047 404608949 /nfs/dbraw/zinc/60/89/49/404608949.db2.gz STWSBOARQCHXGR-HNNXBMFYSA-N 1 0 317.433 2.182 10 0 DEAERO c1onc(Cc2ccccc2)c1CN1CCO[C@@]2(CCOC2)C1 ZINC000352936281 404697482 /nfs/dbraw/zinc/69/74/82/404697482.db2.gz XEQFEGPHXRYBEC-SFHVURJKSA-N 1 0 314.385 2.257 10 0 DEAERO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCCCC3(C)C)CC2)C1 ZINC000366059256 404749063 /nfs/dbraw/zinc/74/90/63/404749063.db2.gz WLQLFTYSUNOTRZ-SJORKVTESA-N 1 0 321.509 2.441 10 0 DEAERO COCCC1(C)CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000359021163 404781424 /nfs/dbraw/zinc/78/14/24/404781424.db2.gz AQNVJDPQXNLSGW-UHFFFAOYSA-N 1 0 311.470 2.176 10 0 DEAERO CCOC(=O)c1cnn(C2CC[NH+](C[C@H](O)C(C)(C)C)CC2)c1 ZINC000451214461 404904631 /nfs/dbraw/zinc/90/46/31/404904631.db2.gz WOYSWOIBGJEZPM-HNNXBMFYSA-N 1 0 323.437 2.104 10 0 DEAERO c1cc(-c2ccc(C[NH2+]C3CCN(c4cccnn4)CC3)o2)n[nH]1 ZINC000366844414 404856926 /nfs/dbraw/zinc/85/69/26/404856926.db2.gz QIGYTORLBANGFK-UHFFFAOYSA-N 1 0 324.388 2.218 10 0 DEAERO C[C@H](Cc1ccc(O)cc1)NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000361124569 404932402 /nfs/dbraw/zinc/93/24/02/404932402.db2.gz QFFNKMQPMXNTKR-UKPHBRMFSA-N 1 0 317.433 2.059 10 0 DEAERO CC(C)c1ccc(CC[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000435026747 404951187 /nfs/dbraw/zinc/95/11/87/404951187.db2.gz BPEOALTXUFZGPA-GOSISDBHSA-N 1 0 315.417 2.027 10 0 DEAERO C(C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1)CC1CCCCC1 ZINC000367317678 405010483 /nfs/dbraw/zinc/01/04/83/405010483.db2.gz MNEWGZOERFWRBW-LJQANCHMSA-N 1 0 323.525 2.343 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)CCc2ccccc2)C1 ZINC000379265710 405025800 /nfs/dbraw/zinc/02/58/00/405025800.db2.gz JRJMRPCZNREBNK-CHWSQXEVSA-N 1 0 300.324 2.500 10 0 DEAERO CCOC[C@@H](O)C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379651472 405028209 /nfs/dbraw/zinc/02/82/09/405028209.db2.gz UNVWWDYLQISPCG-ROUUACIJSA-N 1 0 306.450 2.028 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000367291729 404998560 /nfs/dbraw/zinc/99/85/60/404998560.db2.gz PCAWTEUSTABAFX-HZPDHXFCSA-N 1 0 302.418 2.260 10 0 DEAERO CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000390631185 405045576 /nfs/dbraw/zinc/04/55/76/405045576.db2.gz AKDZHNZTBGDHTC-MSOLQXFVSA-N 1 0 306.450 2.027 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@@H](C2CCC2)C2CCCCC2)CC1 ZINC000424264742 405051034 /nfs/dbraw/zinc/05/10/34/405051034.db2.gz IRHZDRLELGPWCR-LJQANCHMSA-N 1 0 321.509 2.489 10 0 DEAERO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000407961526 405076670 /nfs/dbraw/zinc/07/66/70/405076670.db2.gz HOOMBLXEWRYMAH-RQJABVFESA-N 1 0 323.437 2.290 10 0 DEAERO CC(C)OCCOC1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000451952266 405107001 /nfs/dbraw/zinc/10/70/01/405107001.db2.gz OOWQRKXPRVRNNB-LBPRGKRZSA-N 1 0 313.360 2.206 10 0 DEAERO Cc1cc(N2C[C@H](O)C[C@@H]2CO)c2cc(Cl)cc(C)c2[nH+]1 ZINC000408195457 405135193 /nfs/dbraw/zinc/13/51/93/405135193.db2.gz PNPXVZFYDTWHTE-CHWSQXEVSA-N 1 0 306.793 2.437 10 0 DEAERO CC(C)[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc32)CC[N@@H+]1C ZINC000408356826 405184331 /nfs/dbraw/zinc/18/43/31/405184331.db2.gz HBORMFPDUCURBP-MRXNPFEDSA-N 1 0 313.401 2.353 10 0 DEAERO C[C@@H]1CN(c2ncnc3c2CCCCC3)CC[N@@H+]1CC(C)(C)O ZINC000408436873 405207014 /nfs/dbraw/zinc/20/70/14/405207014.db2.gz KUPWSVCHHDQLOK-CQSZACIVSA-N 1 0 318.465 2.027 10 0 DEAERO Cc1ccncc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000408454007 405209554 /nfs/dbraw/zinc/20/95/54/405209554.db2.gz AMCNNZRRBNQOEE-HNNXBMFYSA-N 1 0 323.462 2.029 10 0 DEAERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc3nc[nH]c3cc2F)C[C@@H]1C ZINC000408471572 405214426 /nfs/dbraw/zinc/21/44/26/405214426.db2.gz STFQBDMHEBCHFB-WDEREUQCSA-N 1 0 304.369 2.257 10 0 DEAERO CS[C@@H]1CN(C(=O)CCOCC(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000361632696 405172876 /nfs/dbraw/zinc/17/28/76/405172876.db2.gz UJVIGRPSEGOOAG-LSDHHAIUSA-N 1 0 314.495 2.087 10 0 DEAERO C[C@@H](CCc1cccc(F)c1)C(=O)NCCNc1cc[nH+]cc1 ZINC000439042369 405263810 /nfs/dbraw/zinc/26/38/10/405263810.db2.gz UDBPMQPTTZOOEJ-AWEZNQCLSA-N 1 0 315.392 2.440 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)Nc1ccc(-c2ncco2)cc1 ZINC000439064382 405264385 /nfs/dbraw/zinc/26/43/85/405264385.db2.gz OXQXBYFOBAPOKS-UHFFFAOYSA-N 1 0 323.356 2.392 10 0 DEAERO COCCOc1ccccc1C[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453069411 405281168 /nfs/dbraw/zinc/28/11/68/405281168.db2.gz NZKIYVAPVGQLGS-OAHLLOKOSA-N 1 0 323.433 2.386 10 0 DEAERO COC1([C@@H](C)[NH2+]CCc2cn3ccccc3n2)CCOCC1 ZINC000453098859 405283490 /nfs/dbraw/zinc/28/34/90/405283490.db2.gz XCSJQEKVPWVCHW-CQSZACIVSA-N 1 0 303.406 2.051 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)COCC(F)(F)F ZINC000452745961 405237106 /nfs/dbraw/zinc/23/71/06/405237106.db2.gz ONWHFAUWROCZHQ-RYUDHWBXSA-N 1 0 310.360 2.335 10 0 DEAERO CC[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CC1(C)C ZINC000419316674 405237653 /nfs/dbraw/zinc/23/76/53/405237653.db2.gz LPGLRUKQURLLQU-MCIONIFRSA-N 1 0 302.484 2.072 10 0 DEAERO CC[C@@H](COCC(F)(F)F)NC(=O)CC1CC[NH+](C)CC1 ZINC000452747600 405237906 /nfs/dbraw/zinc/23/79/06/405237906.db2.gz RGICVKSCKLATAJ-LBPRGKRZSA-N 1 0 310.360 2.192 10 0 DEAERO CCC[NH+]1CCC(NC(=O)NCc2c(C)onc2CC)CC1 ZINC000454223788 405312550 /nfs/dbraw/zinc/31/25/50/405312550.db2.gz OERQDKWXTDYOFG-UHFFFAOYSA-N 1 0 308.426 2.219 10 0 DEAERO C(c1nnc(C2CC2)n1C1CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420348027 405327714 /nfs/dbraw/zinc/32/77/14/405327714.db2.gz JEDCXTCUAMYKEG-KRWDZBQOSA-N 1 0 301.438 2.066 10 0 DEAERO OCCC1([NH2+]C[C@H](O)COc2ccccc2F)CCCCC1 ZINC000440897396 405330408 /nfs/dbraw/zinc/33/04/08/405330408.db2.gz RAJLYLAYNQVNEB-AWEZNQCLSA-N 1 0 311.397 2.240 10 0 DEAERO CC(C)[C@H]([NH3+])CNc1ccc(I)cn1 ZINC000420194015 405293650 /nfs/dbraw/zinc/29/36/50/405293650.db2.gz URLKGSQAIDWOOU-SECBINFHSA-N 1 0 305.163 2.081 10 0 DEAERO c1cc(CN2CCOCC2)cc(C[N@@H+]2CCCSCC2)c1 ZINC000420955562 405414680 /nfs/dbraw/zinc/41/46/80/405414680.db2.gz XYMRYDNUAUPSGP-UHFFFAOYSA-N 1 0 306.475 2.458 10 0 DEAERO C[NH+](C)CCn1nccc1NC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000455653811 405440110 /nfs/dbraw/zinc/44/01/10/405440110.db2.gz FKQBFEJHYHFGJE-KBPBESRZSA-N 1 0 305.426 2.099 10 0 DEAERO C[NH+]1CCC(CNC(=O)c2cccc(C(F)(F)F)n2)CC1 ZINC000448859254 405456696 /nfs/dbraw/zinc/45/66/96/405456696.db2.gz LYQPXALHAVHTGL-UHFFFAOYSA-N 1 0 301.312 2.172 10 0 DEAERO CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCCCC[NH+](C)C ZINC000448976798 405481409 /nfs/dbraw/zinc/48/14/09/405481409.db2.gz VWESMELDQBOKSY-AWEZNQCLSA-N 1 0 313.486 2.021 10 0 DEAERO COc1nsc(C[NH2+]C[C@](C)(O)C2CC2)c1Br ZINC000638589267 405560237 /nfs/dbraw/zinc/56/02/37/405560237.db2.gz SAWPTCAAQHHUTJ-NSHDSACASA-N 1 0 321.240 2.165 10 0 DEAERO [NH3+]C1(CNC(=O)CSc2ccc(Cl)cc2)CCOCC1 ZINC000638535882 405532593 /nfs/dbraw/zinc/53/25/93/405532593.db2.gz SNNKAEJDICBJQI-UHFFFAOYSA-N 1 0 314.838 2.056 10 0 DEAERO c1ccc(N2CC[C@@H](C[NH2+]CCOC[C@@H]3CCCO3)C2)cc1 ZINC000638633953 405583320 /nfs/dbraw/zinc/58/33/20/405583320.db2.gz HBEAHTUTKHONTA-WMZOPIPTSA-N 1 0 304.434 2.298 10 0 DEAERO [NH3+]CC1(NC(=O)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000638637247 405586863 /nfs/dbraw/zinc/58/68/63/405586863.db2.gz PRBCKHGZKQAXAK-UHFFFAOYSA-N 1 0 303.189 2.231 10 0 DEAERO c1cn(-c2ccccc2)c(CN2CC[C@@H](Nc3ncccn3)C2)n1 ZINC000580565470 405645884 /nfs/dbraw/zinc/64/58/84/405645884.db2.gz OMRIZYKGCHSJQI-OAHLLOKOSA-N 1 0 320.400 2.349 10 0 DEAERO [NH3+][C@@H]1CCCCCN(C(=O)c2ccc(Br)cn2)C1 ZINC000638819008 405690606 /nfs/dbraw/zinc/69/06/06/405690606.db2.gz HWAGDJSRGFYCOA-LLVKDONJSA-N 1 0 312.211 2.188 10 0 DEAERO COc1nsc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1Br ZINC000638857648 405718837 /nfs/dbraw/zinc/71/88/37/405718837.db2.gz HAJVIBFELWMNMG-SFYZADRCSA-N 1 0 321.240 2.307 10 0 DEAERO OCC1(C[NH2+]C2CC(OCc3ccccc3)C2)CCOCC1 ZINC000494594697 405726409 /nfs/dbraw/zinc/72/64/09/405726409.db2.gz AIJKUDQUDKMYKU-UHFFFAOYSA-N 1 0 305.418 2.113 10 0 DEAERO CC(=O)c1ccc(CC(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1 ZINC000636089395 405729427 /nfs/dbraw/zinc/72/94/27/405729427.db2.gz RTBFWUKSNLGXEM-JKSUJKDBSA-N 1 0 302.418 2.277 10 0 DEAERO C[C@@H]1CN(C(=O)Cc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000638891236 405743866 /nfs/dbraw/zinc/74/38/66/405743866.db2.gz TYKHYHLEYQIXEM-ZYHUDNBSSA-N 1 0 311.223 2.045 10 0 DEAERO Cc1c(Br)cccc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638891864 405744834 /nfs/dbraw/zinc/74/48/34/405744834.db2.gz VFXYRDOABIJZET-GXSJLCMTSA-N 1 0 311.223 2.424 10 0 DEAERO Cc1ccc(Br)cc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638914471 405755832 /nfs/dbraw/zinc/75/58/32/405755832.db2.gz OWDUTUBIFAYUAL-WDEREUQCSA-N 1 0 311.223 2.424 10 0 DEAERO CC(=O)c1cccc(O[C@H](C)C(=O)NC2(C[NH3+])CCCCC2)c1 ZINC000639000348 405811008 /nfs/dbraw/zinc/81/10/08/405811008.db2.gz YTHJSIYIMRIPCC-CQSZACIVSA-N 1 0 318.417 2.434 10 0 DEAERO CCn1nncc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459364867 405874625 /nfs/dbraw/zinc/87/46/25/405874625.db2.gz SVPAMRFMRSXFOU-KRWDZBQOSA-N 1 0 313.449 2.252 10 0 DEAERO C[NH+](C)CCCCC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000560696080 405860326 /nfs/dbraw/zinc/86/03/26/405860326.db2.gz BAMHLGODHNFGJW-UHFFFAOYSA-N 1 0 305.422 2.194 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2c[nH]nc2C)CC1 ZINC000560813263 405869525 /nfs/dbraw/zinc/86/95/25/405869525.db2.gz JERKDYYXYSKVFP-INIZCTEOSA-N 1 0 304.438 2.299 10 0 DEAERO c1ccc(-n2nnc(C[NH2+]CCN3CC=CCC3)c2C2CC2)cc1 ZINC000639122820 405901994 /nfs/dbraw/zinc/90/19/94/405901994.db2.gz GGOUTOJLNPYBNA-UHFFFAOYSA-N 1 0 323.444 2.496 10 0 DEAERO CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000450477064 405919617 /nfs/dbraw/zinc/91/96/17/405919617.db2.gz UMSBMELCRXGHNY-QZTJIDSGSA-N 1 0 305.418 2.050 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000451042816 406027398 /nfs/dbraw/zinc/02/73/98/406027398.db2.gz DXOUHZZPFNVWGU-ARFHVFGLSA-N 1 0 310.825 2.015 10 0 DEAERO C[NH+]1CCC([C@@H]2CCN(C(=O)NCCOCC3CCC3)C2)CC1 ZINC000562282893 405974627 /nfs/dbraw/zinc/97/46/27/405974627.db2.gz YIHGCFGGOGJYME-QGZVFWFLSA-N 1 0 323.481 2.176 10 0 DEAERO c1nc2n(n1)[C@@H](C[NH+]1CCC(OCc3ccccc3)CC1)CC2 ZINC000639432620 406085572 /nfs/dbraw/zinc/08/55/72/406085572.db2.gz FSBJAKRYYOEQLX-MRXNPFEDSA-N 1 0 312.417 2.447 10 0 DEAERO C(c1noc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)n1)C1CC1 ZINC000639495423 406115206 /nfs/dbraw/zinc/11/52/06/406115206.db2.gz GVEQDUHJJYFAHX-OAHLLOKOSA-N 1 0 304.438 2.472 10 0 DEAERO CN(CC1CC1)C(=O)C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000533059782 406117155 /nfs/dbraw/zinc/11/71/55/406117155.db2.gz KDLQTCKSOUZSIK-UHFFFAOYSA-N 1 0 302.418 2.150 10 0 DEAERO c1nc2n(n1)[C@H](C[N@H+]1CC=C(c3c[nH]c4ncccc34)CC1)CC2 ZINC000639521560 406127701 /nfs/dbraw/zinc/12/77/01/406127701.db2.gz FOUOVWRBJLBJRR-AWEZNQCLSA-N 1 0 320.400 2.431 10 0 DEAERO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000471902389 406127807 /nfs/dbraw/zinc/12/78/07/406127807.db2.gz YUHDLSACIYXIJP-FOGDFJRCSA-N 1 0 305.344 2.205 10 0 DEAERO C(c1noc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1)C1CC1 ZINC000639543744 406138265 /nfs/dbraw/zinc/13/82/65/406138265.db2.gz OUOFUCJGWRDUKS-GOEBONIOSA-N 1 0 316.449 2.471 10 0 DEAERO C(c1nc(C2CCC2)no1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000639625229 406176504 /nfs/dbraw/zinc/17/65/04/406176504.db2.gz RFSIXKOMEIVZQM-OAHLLOKOSA-N 1 0 320.437 2.024 10 0 DEAERO c1cc(CN2CCOCC2)ccc1C[NH2+]C[C@@H]1CCSC1 ZINC000486987318 406196260 /nfs/dbraw/zinc/19/62/60/406196260.db2.gz MJPOUCNCBGIHTP-KRWDZBQOSA-N 1 0 306.475 2.362 10 0 DEAERO Cc1cc(C)c([C@@H](C)[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c(C)c1 ZINC000568160817 406199819 /nfs/dbraw/zinc/19/98/19/406199819.db2.gz SOHSLSNPXMAYFD-RDTXWAMCSA-N 1 0 315.417 2.347 10 0 DEAERO COC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000535075131 406212401 /nfs/dbraw/zinc/21/24/01/406212401.db2.gz ROLBCHILNORQPQ-CJNGLKHVSA-N 1 0 303.406 2.108 10 0 DEAERO CCOCCC1(C[NH2+]Cc2c(Br)cnn2C)CC1 ZINC000487556539 406246607 /nfs/dbraw/zinc/24/66/07/406246607.db2.gz VNUHBTRHKJSKKG-UHFFFAOYSA-N 1 0 316.243 2.479 10 0 DEAERO C[C@@H]1C[C@H](CC[NH2+]Cc2c(Br)cnn2C)CCO1 ZINC000487567791 406247272 /nfs/dbraw/zinc/24/72/72/406247272.db2.gz BFZBDXKKLWYRFI-GHMZBOCLSA-N 1 0 316.243 2.477 10 0 DEAERO COC[C@H](O)C[NH2+][C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000634725300 406248602 /nfs/dbraw/zinc/24/86/02/406248602.db2.gz NLZOCWQIVLASFW-ZWKOTPCHSA-N 1 0 306.450 2.028 10 0 DEAERO c1csc(-c2nccc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)n1 ZINC000634810330 406294535 /nfs/dbraw/zinc/29/45/35/406294535.db2.gz SRBCZGBGBPFIBW-TXEJJXNPSA-N 1 0 301.419 2.036 10 0 DEAERO C[C@H](NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C)c1ccc(Cl)cc1 ZINC000488738049 406343107 /nfs/dbraw/zinc/34/31/07/406343107.db2.gz YQYULPOUIDSIGF-SGMGOOAPSA-N 1 0 310.825 2.220 10 0 DEAERO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCOCC2CCC2)C1 ZINC000521949109 406377476 /nfs/dbraw/zinc/37/74/76/406377476.db2.gz HDISYZSZOOEEEY-KRWDZBQOSA-N 1 0 323.481 2.176 10 0 DEAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634974730 406381490 /nfs/dbraw/zinc/38/14/90/406381490.db2.gz JEDWFAVZYVYSEC-RDJZCZTQSA-N 1 0 324.490 2.064 10 0 DEAERO O=C(CCC1C[NH2+]C1)NCCc1ccc(Br)s1 ZINC000637899890 406469118 /nfs/dbraw/zinc/46/91/18/406469118.db2.gz NKJKRJONDGNMLE-UHFFFAOYSA-N 1 0 317.252 2.169 10 0 DEAERO [NH3+][C@@H]1CC=C(C(=O)NCCc2ccc(Br)s2)C1 ZINC000637900117 406469347 /nfs/dbraw/zinc/46/93/47/406469347.db2.gz RZIYPOKKRJFDAA-SECBINFHSA-N 1 0 315.236 2.217 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637933932 406483710 /nfs/dbraw/zinc/48/37/10/406483710.db2.gz RKLCOZZLYUMESJ-CQSZACIVSA-N 1 0 317.216 2.330 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1NC(C)=O ZINC000524648566 406452278 /nfs/dbraw/zinc/45/22/78/406452278.db2.gz DBBFYZBGFDOBEJ-MRXNPFEDSA-N 1 0 303.406 2.136 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCC1CCCCC1 ZINC000637870684 406455258 /nfs/dbraw/zinc/45/52/58/406455258.db2.gz VEQGOPBYFUBVOL-QGZVFWFLSA-N 1 0 303.450 2.142 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCCc2ccccc21 ZINC000637869389 406455703 /nfs/dbraw/zinc/45/57/03/406455703.db2.gz VCPANHUINLAINY-SFHVURJKSA-N 1 0 323.440 2.425 10 0 DEAERO c1ccn2c(c1)nnc2[C@H]1CCC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000637879287 406458640 /nfs/dbraw/zinc/45/86/40/406458640.db2.gz OPVSTOHYVMIFEY-LSDHHAIUSA-N 1 0 300.406 2.478 10 0 DEAERO COC(=O)CC1(CC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CCCC1 ZINC000526051979 406538893 /nfs/dbraw/zinc/53/88/93/406538893.db2.gz BSHKZWHUTAYBLC-OAHLLOKOSA-N 1 0 324.465 2.347 10 0 DEAERO CC(=O)N(Cc1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)cc1)C1CC1 ZINC000638007424 406520243 /nfs/dbraw/zinc/52/02/43/406520243.db2.gz PNHHAGUKVFGGGL-OAHLLOKOSA-N 1 0 313.401 2.184 10 0 DEAERO c1ccc(N2CC[C@H](C[N@@H+]3CCO[C@H]([C@H]4CCCO4)C3)C2)cc1 ZINC000638172370 406605101 /nfs/dbraw/zinc/60/51/01/406605101.db2.gz ZWIFFFWYBWCQNY-QRQLOZEOSA-N 1 0 316.445 2.393 10 0 DEAERO C[C@H](CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)CC(F)F ZINC000638372253 406731381 /nfs/dbraw/zinc/73/13/81/406731381.db2.gz UBVVMRKPXBJYKV-SLEUVZQESA-N 1 0 314.376 2.327 10 0 DEAERO c1nc(C2OCCO2)sc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527809837 406758948 /nfs/dbraw/zinc/75/89/48/406758948.db2.gz NXKZPEFKCLCCMT-CYBMUJFWSA-N 1 0 323.462 2.295 10 0 DEAERO Cc1cc(C(=O)N(C)Cc2nccn2C)c(C)n1[C@@H]1CCOC1 ZINC000527706778 406724548 /nfs/dbraw/zinc/72/45/48/406724548.db2.gz YJTVEDMKCNXBBY-CQSZACIVSA-N 1 0 316.405 2.072 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000111716021 286919029 /nfs/dbraw/zinc/91/90/29/286919029.db2.gz GAWFKAJBTOEEJC-GHMZBOCLSA-N 1 0 318.389 2.247 10 0 DEAERO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@@H](C)C1CCCCC1 ZINC000408021354 287019167 /nfs/dbraw/zinc/01/91/67/287019167.db2.gz HTEMWCJNZLIXMZ-ZIAGYGMSSA-N 1 0 317.495 2.121 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(-n2cnnn2)cc1 ZINC000126242365 287047443 /nfs/dbraw/zinc/04/74/43/287047443.db2.gz LVNQYWSGPPYDLL-OLZOCXBDSA-N 1 0 301.394 2.128 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246640066 287220854 /nfs/dbraw/zinc/22/08/54/287220854.db2.gz YKAYREXSUGIHKC-NQNKBUKLSA-N 1 0 321.465 2.212 10 0 DEAERO CC1(C)CCC[C@@H](NS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000128794180 195992537 /nfs/dbraw/zinc/99/25/37/195992537.db2.gz HSZUEHVOYFKMRC-UONOGXRCSA-N 1 0 302.484 2.407 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](OC)c1ccccc1 ZINC000246528727 287228365 /nfs/dbraw/zinc/22/83/65/287228365.db2.gz INHFOXZVISUGAM-IXDOHACOSA-N 1 0 302.418 2.459 10 0 DEAERO CCc1nn(C)c(C[C@@H](O)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1Cl ZINC000129057910 196015864 /nfs/dbraw/zinc/01/58/64/196015864.db2.gz CLWSCJXMUPOYDB-UKAJUAJCSA-N 1 0 311.857 2.412 10 0 DEAERO CCC[NH2+]C[C@H](C)[C@@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129075142 196017522 /nfs/dbraw/zinc/01/75/22/196017522.db2.gz KKBMLJWOZJMYRF-KKUMJFAQSA-N 1 0 304.500 2.320 10 0 DEAERO OCc1sc(N2CC[NH+](C3CCCC3)CC2)nc1Cl ZINC000129112297 196019697 /nfs/dbraw/zinc/01/96/97/196019697.db2.gz AJADBAYZLODTGB-UHFFFAOYSA-N 1 0 301.843 2.353 10 0 DEAERO Cc1nc(=O)n(CCC[NH+]2CCCC2)c(C)c1Br ZINC000129192712 196027862 /nfs/dbraw/zinc/02/78/62/196027862.db2.gz XLHWTGMACJCBMX-UHFFFAOYSA-N 1 0 314.227 2.109 10 0 DEAERO COc1ccccc1CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129351939 196041370 /nfs/dbraw/zinc/04/13/70/196041370.db2.gz WQSDBDSFCBSQNC-UHFFFAOYSA-N 1 0 304.434 2.474 10 0 DEAERO CC(=O)Nc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000129361055 196042397 /nfs/dbraw/zinc/04/23/97/196042397.db2.gz SMMUCXLSYRTLFG-UHFFFAOYSA-N 1 0 317.433 2.495 10 0 DEAERO O=C(C1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCc2ccccc21 ZINC000129388826 196043673 /nfs/dbraw/zinc/04/36/73/196043673.db2.gz SMOIILYUIMABAX-KRWDZBQOSA-N 1 0 314.429 2.467 10 0 DEAERO C[C@@]1(CNc2nc3ccc(Br)cn3n2)CCC[NH2+]C1 ZINC000129406502 196045425 /nfs/dbraw/zinc/04/54/25/196045425.db2.gz OHBOOCWQRZOOBC-CYBMUJFWSA-N 1 0 324.226 2.293 10 0 DEAERO CCC[NH2+]CCC(C)(C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000129472902 196050931 /nfs/dbraw/zinc/05/09/31/196050931.db2.gz LNPLOEPNDROCNH-CQSZACIVSA-N 1 0 304.500 2.464 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000129580056 196058344 /nfs/dbraw/zinc/05/83/44/196058344.db2.gz KDVRQVWBBGDTPU-KOLCDFICSA-N 1 0 312.211 2.466 10 0 DEAERO O=S1(=O)CC[C@@H](C[NH2+][C@H]2CCc3sc(Cl)cc32)C1 ZINC000129594620 196060351 /nfs/dbraw/zinc/06/03/51/196060351.db2.gz SQPNIPBJEZZGPX-WPRPVWTQSA-N 1 0 305.852 2.413 10 0 DEAERO COc1ccc(OCc2cc(C[NH3+])no2)c(Br)c1 ZINC000129625668 196063455 /nfs/dbraw/zinc/06/34/55/196063455.db2.gz ZHLDAJQMTXVLKE-UHFFFAOYSA-N 1 0 313.151 2.483 10 0 DEAERO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc(O)c(Br)c1 ZINC000129657786 196065777 /nfs/dbraw/zinc/06/57/77/196065777.db2.gz RUTJKXGGLQHUMR-VXGBXAGGSA-N 1 0 300.196 2.404 10 0 DEAERO CCC[NH2+][C@@H](C)c1c(OC)cccc1N1CCS(=O)CC1 ZINC000129715052 196069842 /nfs/dbraw/zinc/06/98/42/196069842.db2.gz OHWHMNHVJYPCMD-ZDUSSCGKSA-N 1 0 310.463 2.325 10 0 DEAERO CCC[NH2+][C@H](c1cccc2c1OCCC2)[C@@H](C)S(C)(=O)=O ZINC000131021007 196132935 /nfs/dbraw/zinc/13/29/35/196132935.db2.gz OCCLLGXPEGYVQE-DOMZBBRYSA-N 1 0 311.447 2.485 10 0 DEAERO CSCC[C@H](C)NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000131234283 196152053 /nfs/dbraw/zinc/15/20/53/196152053.db2.gz NDKKMWSMANDMEF-QWRGUYRKSA-N 1 0 302.465 2.126 10 0 DEAERO C[NH2+]Cc1ccccc1S(=O)(=O)NCCCCC(F)(F)F ZINC000131249481 196152935 /nfs/dbraw/zinc/15/29/35/196152935.db2.gz SNVLUTBUNXWRIF-UHFFFAOYSA-N 1 0 324.368 2.417 10 0 DEAERO C[N@H+](CC(=O)Nc1ccc(Cl)cc1N)[C@H]1CCCC[C@@H]1O ZINC000131262138 196155121 /nfs/dbraw/zinc/15/51/21/196155121.db2.gz NHFSMMWRPBJGSY-KBPBESRZSA-N 1 0 311.813 2.096 10 0 DEAERO Clc1cnc(N2CCOC[C@@H]2C[NH2+]C2CC2)c(Cl)c1 ZINC000131457034 196170730 /nfs/dbraw/zinc/17/07/30/196170730.db2.gz CBRVDZPPNBRKRA-NSHDSACASA-N 1 0 302.205 2.346 10 0 DEAERO CC(C)n1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1C[NH3+] ZINC000131749639 196196051 /nfs/dbraw/zinc/19/60/51/196196051.db2.gz PAZWBKDZDVOTHU-OLZOCXBDSA-N 1 0 313.467 2.194 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C[NH3+])c2)C[C@@H]1C ZINC000131785632 196199403 /nfs/dbraw/zinc/19/94/03/196199403.db2.gz MHBJTZJMCPTSME-MNOVXSKESA-N 1 0 316.854 2.465 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(OCCS(=O)(=O)CC)c(F)c1 ZINC000131792439 196199494 /nfs/dbraw/zinc/19/94/94/196199494.db2.gz PVNKQYXUERIMLW-NSHDSACASA-N 1 0 303.399 2.310 10 0 DEAERO COc1cc(Br)ccc1[C@H]([NH3+])Cc1cnn(C)c1 ZINC000131804324 196200095 /nfs/dbraw/zinc/20/00/95/196200095.db2.gz GUVIMJPIETUYAN-GFCCVEGCSA-N 1 0 310.195 2.434 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000131937343 196211976 /nfs/dbraw/zinc/21/19/76/196211976.db2.gz XAPYAXPQEQQBBH-RHSMWYFYSA-N 1 0 312.417 2.249 10 0 DEAERO C[NH2+][C@@H](c1ccc(OC2CC2)cc1)[C@@H]1CCCCS1(=O)=O ZINC000132195314 196234611 /nfs/dbraw/zinc/23/46/11/196234611.db2.gz AVNZUQJWXZBICF-HOTGVXAUSA-N 1 0 309.431 2.456 10 0 DEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1sc2cccnc2c1N ZINC000132212890 196236361 /nfs/dbraw/zinc/23/63/61/196236361.db2.gz WKIKZVAXNLXFIF-SNVBAGLBSA-N 1 0 304.419 2.093 10 0 DEAERO C[C@@H](CO)[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000132241174 196238363 /nfs/dbraw/zinc/23/83/63/196238363.db2.gz PPPOZEVNNTZJCG-UWVGGRQHSA-N 1 0 308.205 2.046 10 0 DEAERO Cc1ccc(C(F)(F)F)cc1NC(=O)C1([NH3+])CCOCC1 ZINC000132277786 196241472 /nfs/dbraw/zinc/24/14/72/196241472.db2.gz SNGILYSEBBFUOQ-UHFFFAOYSA-N 1 0 302.296 2.460 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2sc3cccnc3c2N)C1 ZINC000132312298 196244552 /nfs/dbraw/zinc/24/45/52/196244552.db2.gz XXYDOWVUEJNIGK-JTQLQIEISA-N 1 0 304.419 2.045 10 0 DEAERO CCC[C@@H](C(=O)NCCCc1cc(OC)ccc1OC)[NH+](C)C ZINC000132482515 196258624 /nfs/dbraw/zinc/25/86/24/196258624.db2.gz HTOLHJXLCJRIHR-INIZCTEOSA-N 1 0 322.449 2.483 10 0 DEAERO C[C@@H]1SCCN(C(=O)c2cccn2C2CC[NH2+]CC2)[C@H]1C ZINC000132637854 196272290 /nfs/dbraw/zinc/27/22/90/196272290.db2.gz OWYYZSUFFVCUJR-STQMWFEESA-N 1 0 307.463 2.379 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H](COCc2ccc(Br)cc2)O1 ZINC000132683024 196275659 /nfs/dbraw/zinc/27/56/59/196275659.db2.gz OFZMUOSBSLYQQL-MFKMUULPSA-N 1 0 300.196 2.343 10 0 DEAERO CC(C)n1ncc(Br)c1[C@@H](O)[C@@H]1CCC[NH2+]C1 ZINC000132872953 196291688 /nfs/dbraw/zinc/29/16/88/196291688.db2.gz FJTLJXGUBOVKAS-SKDRFNHKSA-N 1 0 302.216 2.260 10 0 DEAERO CCc1noc(CC)c1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000132999457 196304041 /nfs/dbraw/zinc/30/40/41/196304041.db2.gz HWPXWNHETYADBK-CYBMUJFWSA-N 1 0 320.437 2.179 10 0 DEAERO COCc1nc(Nc2ccc(OC)c(Cl)c2)cc(NN)[nH+]1 ZINC000133077635 196309762 /nfs/dbraw/zinc/30/97/62/196309762.db2.gz ZYASLTCKVFPBIB-UHFFFAOYSA-N 1 0 309.757 2.314 10 0 DEAERO CC[C@H](CSC)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000133236214 196323273 /nfs/dbraw/zinc/32/32/73/196323273.db2.gz UTHLENWPJULHKF-ZYHUDNBSSA-N 1 0 302.465 2.126 10 0 DEAERO CC[C@H](CSC)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000133236494 196323352 /nfs/dbraw/zinc/32/33/52/196323352.db2.gz UTHLENWPJULHKF-CMPLNLGQSA-N 1 0 302.465 2.126 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000133281075 196327583 /nfs/dbraw/zinc/32/75/83/196327583.db2.gz QOOTWCPXSXDTIJ-UHFFFAOYSA-N 1 0 300.406 2.415 10 0 DEAERO CC(=O)NC1CCN([C@H](c2ccc(Cl)cc2)[C@H](C)[NH3+])CC1 ZINC000133750254 196333747 /nfs/dbraw/zinc/33/37/47/196333747.db2.gz BATFFQORAXMLDB-ZBEGNZNMSA-N 1 0 309.841 2.329 10 0 DEAERO O=C(Nc1cccc(Br)c1O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000133856544 196340088 /nfs/dbraw/zinc/34/00/88/196340088.db2.gz HUFXZIUTOYKSCU-WEDXCCLWSA-N 1 0 311.179 2.234 10 0 DEAERO COc1cccc(C2CC([NH2+]C[C@@H]3CCCS3(=O)=O)C2)c1 ZINC000133915032 196345669 /nfs/dbraw/zinc/34/56/69/196345669.db2.gz RLWKBLPZTOQUPI-XUJLQICISA-N 1 0 309.431 2.108 10 0 DEAERO C1COC2(CCC[N@@H+]([C@H]3CCOC4(CCSCC4)C3)C2)O1 ZINC000134026675 196355043 /nfs/dbraw/zinc/35/50/43/196355043.db2.gz TWSDSMZMVFCTSH-AWEZNQCLSA-N 1 0 313.463 2.270 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)c1cccc(N)c1Br ZINC000134113038 196362310 /nfs/dbraw/zinc/36/23/10/196362310.db2.gz YXULJYLGXGMVTK-UHFFFAOYSA-N 1 0 314.227 2.101 10 0 DEAERO COCC[NH2+][C@@]1(c2nc3c(s2)CCCC3)CCCN(C)C1 ZINC000134337139 196380097 /nfs/dbraw/zinc/38/00/97/196380097.db2.gz SYKXWQGUZSJXRS-INIZCTEOSA-N 1 0 309.479 2.179 10 0 DEAERO CCc1nn(CC)c(C[NH2+][C@@H](CC)CCO)c1Br ZINC000134388660 196385683 /nfs/dbraw/zinc/38/56/83/196385683.db2.gz GWOPUFGYILWNQR-JTQLQIEISA-N 1 0 318.259 2.479 10 0 DEAERO [NH3+]C1CN(C(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000134985475 196436982 /nfs/dbraw/zinc/43/69/82/196436982.db2.gz VDUKXTQPXIXRCS-UHFFFAOYSA-N 1 0 305.175 2.385 10 0 DEAERO CCOC(=O)CC[C@@H]([NH3+])Cc1ccc(Br)cn1 ZINC000135378767 196469874 /nfs/dbraw/zinc/46/98/74/196469874.db2.gz DWAXRLGPNWXMJN-SNVBAGLBSA-N 1 0 301.184 2.057 10 0 DEAERO CCC[C@@H]([NH3+])CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000135858985 196506015 /nfs/dbraw/zinc/50/60/15/196506015.db2.gz YRGBIMNVTFALBM-SNVBAGLBSA-N 1 0 311.813 2.498 10 0 DEAERO CC[C@@H]1CC[C@H](C)N1S(=O)(=O)c1ccc(CC[NH2+]C)s1 ZINC000136759674 196551010 /nfs/dbraw/zinc/55/10/10/196551010.db2.gz QHFBXNUJPZEJBO-NWDGAFQWSA-N 1 0 316.492 2.462 10 0 DEAERO NNc1cc(Oc2ccc(F)c(Br)c2)nc(N)[nH+]1 ZINC000137774410 196580694 /nfs/dbraw/zinc/58/06/94/196580694.db2.gz VFJHHNFCCZGGPD-UHFFFAOYSA-N 1 0 314.118 2.038 10 0 DEAERO CC[NH+](CC)CCCN1C(=O)C2(CC2)N[C@H]1c1ccsc1 ZINC000137943525 196581253 /nfs/dbraw/zinc/58/12/53/196581253.db2.gz ATOHETQHTZKIHJ-CQSZACIVSA-N 1 0 307.463 2.443 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]CCCC(=O)Nc1c(C)cccc1C ZINC000138008174 196582161 /nfs/dbraw/zinc/58/21/61/196582161.db2.gz ATUQCBCNOZTGLY-GOSISDBHSA-N 1 0 322.449 2.399 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150832214 196591583 /nfs/dbraw/zinc/59/15/83/196591583.db2.gz QFQDNLIXBFATLT-MRXNPFEDSA-N 1 0 311.433 2.185 10 0 DEAERO Cc1c2ccccc2[nH]c(=O)c1C(=O)N1CCC([NH+](C)C)CC1 ZINC000176566585 224823402 /nfs/dbraw/zinc/82/34/02/224823402.db2.gz WXZWFYKLCOUNAF-UHFFFAOYSA-N 1 0 313.401 2.415 10 0 DEAERO COC[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C1CCOCC1 ZINC000187776687 224997090 /nfs/dbraw/zinc/99/70/90/224997090.db2.gz YCDZJKQVBSHNPQ-SFHVURJKSA-N 1 0 315.417 2.404 10 0 DEAERO O=C(c1cc(Br)cs1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195338947 225203378 /nfs/dbraw/zinc/20/33/78/225203378.db2.gz QOGDQIQSBQNSLK-JTQLQIEISA-N 1 0 315.236 2.431 10 0 DEAERO Fc1cc(Br)cc(F)c1CNC1=[NH+]CCCN1 ZINC000262842346 225287591 /nfs/dbraw/zinc/28/75/91/225287591.db2.gz UTXKDDJOPOHWIR-UHFFFAOYSA-N 1 0 304.138 2.166 10 0 DEAERO O[C@H](C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1)CC(F)(F)F ZINC000248934798 225241386 /nfs/dbraw/zinc/24/13/86/225241386.db2.gz BTZSAGAUJGQRGL-SRVKXCTJSA-N 1 0 307.312 2.481 10 0 DEAERO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000291348155 222330165 /nfs/dbraw/zinc/33/01/65/222330165.db2.gz WVTRTRGJEQBWEX-LJQANCHMSA-N 1 0 307.397 2.470 10 0 DEAERO CC(=O)c1ccccc1OCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516867679 424821026 /nfs/dbraw/zinc/82/10/26/424821026.db2.gz LEHINWBFIYSEIQ-GOSISDBHSA-N 1 0 302.418 2.344 10 0 DEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876289 424849360 /nfs/dbraw/zinc/84/93/60/424849360.db2.gz INKUUWJZDKZIQQ-CQSZACIVSA-N 1 0 320.481 2.368 10 0 DEAERO CCc1ccc(NC(=O)[C@@H](C)[NH2+]CCn2cc(C)cn2)cc1 ZINC000105881265 424849512 /nfs/dbraw/zinc/84/95/12/424849512.db2.gz PJJRFXOZFRWZFT-CQSZACIVSA-N 1 0 300.406 2.371 10 0 DEAERO COc1cc(F)cc2sc(NC(=O)C[C@H]3CC[NH2+]C3)nc21 ZINC000129158050 424857290 /nfs/dbraw/zinc/85/72/90/424857290.db2.gz OLYVWSWBDKRKQU-MRVPVSSYSA-N 1 0 309.366 2.382 10 0 DEAERO C[C@@H](CCO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000132928741 424859075 /nfs/dbraw/zinc/85/90/75/424859075.db2.gz KQPDLMCHSUVUNJ-VHSXEESVSA-N 1 0 308.205 2.094 10 0 DEAERO C[C@@H](CCO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000132928353 424859306 /nfs/dbraw/zinc/85/93/06/424859306.db2.gz KQPDLMCHSUVUNJ-UWVGGRQHSA-N 1 0 308.205 2.094 10 0 DEAERO Nc1cc(C[N@@H+]2CC[C@@](O)(Cc3cccc(Cl)c3)C2)ccn1 ZINC000365493966 424860985 /nfs/dbraw/zinc/86/09/85/424860985.db2.gz VNVVRERLNJTVIU-QGZVFWFLSA-N 1 0 317.820 2.497 10 0 DEAERO OC[C@H]([NH2+]C1CSC1)c1ccc(Br)c(F)c1 ZINC000390751792 424917808 /nfs/dbraw/zinc/91/78/08/424917808.db2.gz DFEQMVREMVQVTB-NSHDSACASA-N 1 0 306.200 2.327 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1noc2ccc(Br)cc21 ZINC000333395671 424921211 /nfs/dbraw/zinc/92/12/11/424921211.db2.gz AGYREGVSKNANGX-LDYMZIIASA-N 1 0 310.195 3.000 10 0 DEAERO O[C@]1(CC[NH2+]Cc2cccc(Br)c2F)CCOC1 ZINC000404154374 424925027 /nfs/dbraw/zinc/92/50/27/424925027.db2.gz RWKFCZQIFNYJTE-CYBMUJFWSA-N 1 0 318.186 2.219 10 0 DEAERO c1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)sn1 ZINC000404434416 424926634 /nfs/dbraw/zinc/92/66/34/424926634.db2.gz QBERITWNYCRSFL-HNNXBMFYSA-N 1 0 303.431 2.134 10 0 DEAERO [NH3+]CC1(CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000404640106 424927741 /nfs/dbraw/zinc/92/77/41/424927741.db2.gz LBUNRBQVKVWRIC-UHFFFAOYSA-N 1 0 323.245 2.401 10 0 DEAERO c1cc(C[NH2+]CCN2CCN(Cc3ccccc3)CC2)sn1 ZINC000404474243 424927940 /nfs/dbraw/zinc/92/79/40/424927940.db2.gz OXGUBJUHCZECRK-UHFFFAOYSA-N 1 0 316.474 2.051 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)c2nscc2Br)CC[N@@H+]1C ZINC000404942004 424930635 /nfs/dbraw/zinc/93/06/35/424930635.db2.gz MILOHDNXHOXTQR-YUMQZZPRSA-N 1 0 318.240 2.118 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(C3(C)CCCC3)on2)C1 ZINC000559502198 424887377 /nfs/dbraw/zinc/88/73/77/424887377.db2.gz OFTDLJFEBRHPID-CYBMUJFWSA-N 1 0 320.437 2.970 10 0 DEAERO CCCc1occc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000374194376 424889346 /nfs/dbraw/zinc/88/93/46/424889346.db2.gz OTSUOVLNCSQHJA-UHFFFAOYSA-N 1 0 316.405 2.948 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C3(C)CCCC3)on2)C1 ZINC000561459194 424891570 /nfs/dbraw/zinc/89/15/70/424891570.db2.gz UTHKIQBLWWTDDV-CYBMUJFWSA-N 1 0 320.437 2.970 10 0 DEAERO c1cc(C[N@@H+]2CCOC3(CCC3)C2)ccc1CN1CCOCC1 ZINC000420949545 424977705 /nfs/dbraw/zinc/97/77/05/424977705.db2.gz QSSYLAWBOINFFH-UHFFFAOYSA-N 1 0 316.445 2.274 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2ccnc(N)c2)C1 ZINC000616620680 425098217 /nfs/dbraw/zinc/09/82/17/425098217.db2.gz KGPULXUDULEGHZ-AWEZNQCLSA-N 1 0 320.437 2.368 10 0 DEAERO C[C@@]1(C2CC2)C[N@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000661165769 425340187 /nfs/dbraw/zinc/34/01/87/425340187.db2.gz BYJLXGNBTJCMDE-ROUUACIJSA-N 1 0 305.418 2.065 10 0 DEAERO [NH3+][C@@H](CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000036297617 267365870 /nfs/dbraw/zinc/36/58/70/267365870.db2.gz OHFHLAQTFQEADE-AWEZNQCLSA-N 1 0 310.806 2.318 10 0 DEAERO Cc1cc(C[NH2+]C[C@H]2CC(=O)N(C)C2)ccc1Br ZINC000657696876 425387068 /nfs/dbraw/zinc/38/70/68/425387068.db2.gz LJLYWMGNQVPYBI-GFCCVEGCSA-N 1 0 311.223 2.325 10 0 DEAERO CC(C)(C)c1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)[nH]n1 ZINC000121063621 267420288 /nfs/dbraw/zinc/42/02/88/267420288.db2.gz BLPWPKNGAHHTEU-UHFFFAOYSA-N 1 0 304.438 2.408 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000174712823 267504970 /nfs/dbraw/zinc/50/49/70/267504970.db2.gz BNXCEFGBKKSKTG-UHFFFAOYSA-N 1 0 321.469 2.070 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000178021872 267570136 /nfs/dbraw/zinc/57/01/36/267570136.db2.gz IKGWRVWFYUWXJW-QGZVFWFLSA-N 1 0 317.433 2.182 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659271985 425564445 /nfs/dbraw/zinc/56/44/45/425564445.db2.gz XVVVBOOVQVJWKK-CQSZACIVSA-N 1 0 302.418 2.370 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(-n2ccnn2)cc1 ZINC000189863569 267696133 /nfs/dbraw/zinc/69/61/33/267696133.db2.gz OBUOOAKYMTWYOL-GWCFXTLKSA-N 1 0 314.311 2.231 10 0 DEAERO [NH3+]Cc1cccnc1N1CCN(c2ccc(F)c(F)c2)CC1 ZINC000665887182 425665491 /nfs/dbraw/zinc/66/54/91/425665491.db2.gz SUAFVAXJLDUOHC-UHFFFAOYSA-N 1 0 304.344 2.145 10 0 DEAERO COC[C@@H]([NH3+])C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000662859055 425750987 /nfs/dbraw/zinc/75/09/87/425750987.db2.gz NIMFONQSSWDWIA-SECBINFHSA-N 1 0 321.602 2.323 10 0 DEAERO [NH3+]C[C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCCO1 ZINC000313333001 268840710 /nfs/dbraw/zinc/84/07/10/268840710.db2.gz DFOASIZBJDXCMO-VIFPVBQESA-N 1 0 309.719 2.308 10 0 DEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CCN(c3cc(C)[nH]n3)CC2)C1(C)C ZINC000333061415 268878972 /nfs/dbraw/zinc/87/89/72/268878972.db2.gz IRIJGKKQQLWQNI-DAXOMENPSA-N 1 0 306.454 2.336 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nnnn3CC1)CCC2 ZINC000333759756 268988595 /nfs/dbraw/zinc/98/85/95/268988595.db2.gz PABDHMMNOYGGTF-CJNGLKHVSA-N 1 0 313.405 2.054 10 0 DEAERO Cc1cn(-c2ccccc2)nc1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333883439 269000052 /nfs/dbraw/zinc/00/00/52/269000052.db2.gz WRDCMTWXFCCZLL-UHFFFAOYSA-N 1 0 310.401 2.149 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCc2cnccn2)C1 ZINC000390197548 269097257 /nfs/dbraw/zinc/09/72/57/269097257.db2.gz KZAWSHCBOJYOQU-CQSZACIVSA-N 1 0 320.437 2.256 10 0 DEAERO CC[C@@H]([NH2+]Cc1nn(C)cc1Br)[C@H]1CCOC1 ZINC000393338053 269099158 /nfs/dbraw/zinc/09/91/58/269099158.db2.gz NOIKZVMUOVVXCJ-GXSJLCMTSA-N 1 0 302.216 2.087 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)c2coc(Br)c2)CC[N@@H+]1C ZINC000393539873 269100136 /nfs/dbraw/zinc/10/01/36/269100136.db2.gz XJYQPCSLSRDAMQ-WPRPVWTQSA-N 1 0 301.184 2.255 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)oc2C)C1 ZINC000396670363 269103817 /nfs/dbraw/zinc/10/38/17/269103817.db2.gz FVAXLISWIUEXIZ-SECBINFHSA-N 1 0 301.184 2.175 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)[C@H]2CC2(C)C)CC1 ZINC000397582993 269106486 /nfs/dbraw/zinc/10/64/86/269106486.db2.gz HXMXPFWIKMWFDR-TZMCWYRMSA-N 1 0 302.484 2.215 10 0 DEAERO CNC(=O)[C@H]1CC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000398589643 269109637 /nfs/dbraw/zinc/10/96/37/269109637.db2.gz WFPTTYQPZGCQFS-JTQLQIEISA-N 1 0 315.186 2.156 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccnc2Br)C1 ZINC000120455800 273807918 /nfs/dbraw/zinc/80/79/18/273807918.db2.gz VTHFMXSTHNNOJT-SECBINFHSA-N 1 0 313.199 2.012 10 0 DEAERO COc1cccc2c1CC[N@H+](C[C@](C)(O)C(F)(F)F)CC2 ZINC000369714594 274151340 /nfs/dbraw/zinc/15/13/40/274151340.db2.gz JSQPLMAPMMIGML-AWEZNQCLSA-N 1 0 303.324 2.409 10 0 DEAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000182915940 274260815 /nfs/dbraw/zinc/26/08/15/274260815.db2.gz LPBIBPYNNYYBLA-BXUZGUMPSA-N 1 0 319.792 2.385 10 0 DEAERO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)CC3 ZINC000156658341 274766132 /nfs/dbraw/zinc/76/61/32/274766132.db2.gz PIJNCAVUDVVDNY-GJZGRUSLSA-N 1 0 313.445 2.254 10 0 DEAERO O=C([C@@H]1CCCn2ccnc21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000081795640 275005405 /nfs/dbraw/zinc/00/54/05/275005405.db2.gz LUDPEEUTIXHMMS-MRXNPFEDSA-N 1 0 316.449 2.237 10 0 DEAERO O=c1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2ccccn12 ZINC000246720663 275043835 /nfs/dbraw/zinc/04/38/35/275043835.db2.gz VANDJNBHSXHEMF-GOEBONIOSA-N 1 0 324.428 2.148 10 0 DEAERO c1nc2sc3c(c2c(N2CC[N@@H+]4CCC[C@@H]4C2)n1)CCC3 ZINC000024659698 275076866 /nfs/dbraw/zinc/07/68/66/275076866.db2.gz AMWQMSKDRKVKNV-LLVKDONJSA-N 1 0 300.431 2.464 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000111635974 276156951 /nfs/dbraw/zinc/15/69/51/276156951.db2.gz XMYSAZBASYVXIJ-QZTJIDSGSA-N 1 0 317.477 2.150 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3nc[nH]c32)[C@H](C)C1 ZINC000370477428 276223417 /nfs/dbraw/zinc/22/34/17/276223417.db2.gz OKYMNRPZUHYNHW-NFAWXSAZSA-N 1 0 304.438 2.018 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000495135828 276259039 /nfs/dbraw/zinc/25/90/39/276259039.db2.gz BSOYWKLNAMEAFK-IIAWOOMASA-N 1 0 312.479 2.032 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](CC2CCC(F)(F)CC2)CC12COC2 ZINC000459486122 276294405 /nfs/dbraw/zinc/29/44/05/276294405.db2.gz KHQARAYIJWHTCK-CYBMUJFWSA-N 1 0 317.376 2.323 10 0 DEAERO CCOC(=O)c1csc(C2CC[NH+](C[C@@H](O)CC)CC2)n1 ZINC000191568945 276303534 /nfs/dbraw/zinc/30/35/34/276303534.db2.gz ZZISAKDPWKPMLV-LBPRGKRZSA-N 1 0 312.435 2.270 10 0 DEAERO CCOC[C@H]1CCCCN1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000458663464 276333675 /nfs/dbraw/zinc/33/36/75/276333675.db2.gz PRRQKDKANWOXII-MRXNPFEDSA-N 1 0 309.454 2.239 10 0 DEAERO CCN1CCN(C(=O)[C@@H](C)[N@H+](CC)Cc2ccccc2)CC1 ZINC000120046636 276354669 /nfs/dbraw/zinc/35/46/69/276354669.db2.gz RVLKAUQGQLBITO-MRXNPFEDSA-N 1 0 303.450 2.061 10 0 DEAERO CCOc1ccccc1C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246455454 276382882 /nfs/dbraw/zinc/38/28/82/276382882.db2.gz MZDSQLKZVZMPBN-RDJZCZTQSA-N 1 0 304.434 2.238 10 0 DEAERO CN1CCO[C@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000246527372 276940421 /nfs/dbraw/zinc/94/04/21/276940421.db2.gz VBIXOPLPPBTYAT-AEFFLSMTSA-N 1 0 316.445 2.309 10 0 DEAERO 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CCOCC[N@@H+]1CCN(Cc2noc(C(C)(C)C)n2)C[C@H]1CC ZINC000106117023 519922360 /nfs/dbraw/zinc/92/23/60/519922360.db2.gz RIOFVGBGDRCSCM-CQSZACIVSA-N 1 0 324.469 2.300 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2nccn2C(C)C)C[C@H]1CC ZINC000105838620 519923875 /nfs/dbraw/zinc/92/38/75/519923875.db2.gz MKGYDQQVBPBZFG-MRXNPFEDSA-N 1 0 308.470 2.397 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccccc2)[C@H](C)C1 ZINC000127887504 521712152 /nfs/dbraw/zinc/71/21/52/521712152.db2.gz FGBLLCYXJUPCEV-NVXWUHKLSA-N 1 0 319.449 2.437 10 0 DEAERO C[N@H+](CCCNC(=O)N1CCN(C2CC2)CC1)C1CCCCC1 ZINC000105128189 522761027 /nfs/dbraw/zinc/76/10/27/522761027.db2.gz NFJPSXRGWBRSKJ-UHFFFAOYSA-N 1 0 322.497 2.131 10 0 DEAERO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@@H]2CCCO2)C1 ZINC000102903481 524086104 /nfs/dbraw/zinc/08/61/04/524086104.db2.gz RMSUBGXZPXBVLG-HOTGVXAUSA-N 1 0 311.470 2.319 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000156372352 524602813 /nfs/dbraw/zinc/60/28/13/524602813.db2.gz QFISGGIGIZCQCQ-AWEZNQCLSA-N 1 0 319.453 2.173 10 0 DEAERO Cc1ccc(F)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249234317 524813520 /nfs/dbraw/zinc/81/35/20/524813520.db2.gz VXEPFJCUYXJBHO-STQMWFEESA-N 1 0 321.396 2.014 10 0 DEAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1nc(-c2cccc(F)c2)no1 ZINC000246545635 525180359 /nfs/dbraw/zinc/18/03/59/525180359.db2.gz STIWBPGFCISDSZ-XHVZSJERSA-N 1 0 318.352 2.180 10 0 DEAERO Cc1ccccc1OCCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000105284983 525289403 /nfs/dbraw/zinc/28/94/03/525289403.db2.gz MIIRBVYHMXAYLM-OAHLLOKOSA-N 1 0 305.422 2.109 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c(C)s1 ZINC000227196000 525395793 /nfs/dbraw/zinc/39/57/93/525395793.db2.gz RKIXJTDKMOINPZ-JOYOIKCWSA-N 1 0 302.465 2.113 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCn3ccnc3)C[C@H]21 ZINC000248638095 534896067 /nfs/dbraw/zinc/89/60/67/534896067.db2.gz YNSFERASDMJBGD-RRFJBIMHSA-N 1 0 320.437 2.118 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C ZINC000358268243 534900167 /nfs/dbraw/zinc/90/01/67/534900167.db2.gz XHRGRHYUJROJDP-GJZGRUSLSA-N 1 0 312.454 2.343 10 0 DEAERO C[C@H](c1cnn(C)c1)N(C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245920169 526164587 /nfs/dbraw/zinc/16/45/87/526164587.db2.gz QKDIZYGRUNDJLW-QLFBSQMISA-N 1 0 321.469 2.243 10 0 DEAERO Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C2)c1 ZINC000246263823 526265958 /nfs/dbraw/zinc/26/59/58/526265958.db2.gz LGHALZWXMMWAIS-HZMVEIRTSA-N 1 0 316.449 2.276 10 0 DEAERO O=C(CCc1ccccc1O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127281324 526613995 /nfs/dbraw/zinc/61/39/95/526613995.db2.gz RTIXEELPSUUHKY-HNNXBMFYSA-N 1 0 302.418 2.269 10 0 DEAERO CC(C)(CC1CCCCCC1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000190027034 526984439 /nfs/dbraw/zinc/98/44/39/526984439.db2.gz IKCVAKYGMKSMDJ-KRWDZBQOSA-N 1 0 312.498 2.408 10 0 DEAERO O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CC[NH+]2CCC1CC2 ZINC000188844247 527096526 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CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328766349 527843322 /nfs/dbraw/zinc/84/33/22/527843322.db2.gz FHPQXFKNXIZPOU-HUUCEWRRSA-N 1 0 309.454 2.466 10 0 DEAERO CC[N@H+](CC(=O)N1C[C@H](c2ccccc2)OC[C@H]1C)C1CC1 ZINC000246383925 527899463 /nfs/dbraw/zinc/89/94/63/527899463.db2.gz ZXCACIHYRGRVOW-RHSMWYFYSA-N 1 0 302.418 2.459 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)N[C@H](COC)C2CC2)CC1 ZINC000442296162 528093282 /nfs/dbraw/zinc/09/32/82/528093282.db2.gz SYISSRNYWIJZCL-MRXNPFEDSA-N 1 0 311.470 2.175 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000194917079 529088833 /nfs/dbraw/zinc/08/88/33/529088833.db2.gz WHGPLWRIDPTADI-HRCADAONSA-N 1 0 305.397 2.465 10 0 DEAERO CC(C)[C@H](NC(=O)CC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000362881878 535077082 /nfs/dbraw/zinc/07/70/82/535077082.db2.gz BZFCIYUQUSHMBW-HNNXBMFYSA-N 1 0 312.454 2.201 10 0 DEAERO CCCCc1noc([C@H](C)N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)n1 ZINC000247221793 535126722 /nfs/dbraw/zinc/12/67/22/535126722.db2.gz QPNCEWIMWWWDHZ-SOUVJXGZSA-N 1 0 324.469 2.250 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)c2ccc(Cl)cc2)C1 ZINC000246212038 535256133 /nfs/dbraw/zinc/25/61/33/535256133.db2.gz KIRZFUGQQBFIPC-BXUZGUMPSA-N 1 0 308.809 2.368 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCSc2ccccn2)C1 ZINC000246980221 535256754 /nfs/dbraw/zinc/25/67/54/535256754.db2.gz GGVNCEXGLKUSOY-ZIAGYGMSSA-N 1 0 307.463 2.409 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2Cl)C1 ZINC000246407267 535257516 /nfs/dbraw/zinc/25/75/16/535257516.db2.gz LTKDGQBBOFVCKP-BXUZGUMPSA-N 1 0 323.824 2.123 10 0 DEAERO CC1(C)CN(C(=O)Cc2ccc(-n3cccn3)cc2)CC[C@@H]1[NH3+] ZINC000261797193 535335897 /nfs/dbraw/zinc/33/58/97/535335897.db2.gz IPXIJKDNVSWGAX-INIZCTEOSA-N 1 0 312.417 2.001 10 0 DEAERO CCNC(=O)c1ccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000262560699 535432712 /nfs/dbraw/zinc/43/27/12/535432712.db2.gz VJLLSQFFOVHCLS-CQSZACIVSA-N 1 0 303.406 2.153 10 0 DEAERO CCOc1ccccc1NC(=O)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246765013 535520102 /nfs/dbraw/zinc/52/01/02/535520102.db2.gz HWMOYBCLRUPUKW-HNNXBMFYSA-N 1 0 317.433 2.194 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCCNc1ccc(C)cn1 ZINC000193444641 535645658 /nfs/dbraw/zinc/64/56/58/535645658.db2.gz QSIRHGXARYWXRP-HNNXBMFYSA-N 1 0 321.469 2.222 10 0 DEAERO CCOC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)C(C)C ZINC000248959475 535695282 /nfs/dbraw/zinc/69/52/82/535695282.db2.gz PESGNAGQMUAWQT-JYJNAYRXSA-N 1 0 313.486 2.419 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](OC)c1ccccc1 ZINC000246528747 535873330 /nfs/dbraw/zinc/87/33/30/535873330.db2.gz INHFOXZVISUGAM-ZACQAIPSSA-N 1 0 302.418 2.459 10 0 DEAERO CCn1nnc(C)c1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000449132028 535918788 /nfs/dbraw/zinc/91/87/88/535918788.db2.gz RGDYCGTYZBEFDU-GFCCVEGCSA-N 1 0 318.421 2.344 10 0 DEAERO CC[C@H]1CN(Cc2ccc(N(C)CC)nc2)CC[N@@H+]1CCOC ZINC000191337514 536154491 /nfs/dbraw/zinc/15/44/91/536154491.db2.gz NCDZFTXTZOFYIH-KRWDZBQOSA-N 1 0 320.481 2.080 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(CCOC)CCC1 ZINC000246284462 536165864 /nfs/dbraw/zinc/16/58/64/536165864.db2.gz ABIUWRMDBTXLEW-HOTGVXAUSA-N 1 0 323.481 2.461 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCOC1CCCC1 ZINC000246307603 536166005 /nfs/dbraw/zinc/16/60/05/536166005.db2.gz NMEKTZQELNXYMJ-GJZGRUSLSA-N 1 0 309.454 2.214 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1c(C)noc1Cl ZINC000247046887 536166096 /nfs/dbraw/zinc/16/60/96/536166096.db2.gz VVBRNAKXNGFJQU-RYUDHWBXSA-N 1 0 311.813 2.264 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(OC)c(OC)c1 ZINC000247056886 536168839 /nfs/dbraw/zinc/16/88/39/536168839.db2.gz WYTSTMQAFPQKMW-GJZGRUSLSA-N 1 0 318.417 2.403 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000247394218 536173642 /nfs/dbraw/zinc/17/36/42/536173642.db2.gz XOBWFMNUWIAWJA-HZPDHXFCSA-N 1 0 318.465 2.341 10 0 DEAERO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H]1C(=O)Nc1nccs1 ZINC000248121596 536390566 /nfs/dbraw/zinc/39/05/66/536390566.db2.gz UODPOFUOLUDVGK-STQMWFEESA-N 1 0 308.451 2.030 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2ccccc2O)C1 ZINC000246674556 536470286 /nfs/dbraw/zinc/47/02/86/536470286.db2.gz FRTLLIUUAKMIIG-JKSUJKDBSA-N 1 0 302.418 2.268 10 0 DEAERO COc1ccc(-c2nc(CN3CCC([NH+](C)C)CC3)no2)cc1 ZINC000193816872 536512444 /nfs/dbraw/zinc/51/24/44/536512444.db2.gz LLMXDYQHYKLJML-UHFFFAOYSA-N 1 0 316.405 2.271 10 0 DEAERO COCCCOc1cccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000262093913 536623809 /nfs/dbraw/zinc/62/38/09/536623809.db2.gz UQXMMLACJYUHID-INIZCTEOSA-N 1 0 320.433 2.301 10 0 DEAERO COc1ccc(Br)c(CN[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358086100 536628360 /nfs/dbraw/zinc/62/83/60/536628360.db2.gz WLFDAGVAEUNFBM-QMTHXVAHSA-N 1 0 313.239 2.497 10 0 DEAERO COC[C@](C)(CCO)[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000192066379 536630061 /nfs/dbraw/zinc/63/00/61/536630061.db2.gz JKYRMPNBWVFSQX-AWEZNQCLSA-N 1 0 305.777 2.235 10 0 DEAERO CO[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000262038293 536689640 /nfs/dbraw/zinc/68/96/40/536689640.db2.gz BOKCNIVXLGZUNP-HZPDHXFCSA-N 1 0 301.390 2.280 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2Cl)C1 ZINC000187839075 536742334 /nfs/dbraw/zinc/74/23/34/536742334.db2.gz NZLNGNPXGCGVBC-GMOODISLSA-N 1 0 300.761 2.033 10 0 DEAERO COc1ccccc1OCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000246669507 537089151 /nfs/dbraw/zinc/08/91/51/537089151.db2.gz MAIDJYNNMBSVCN-LSDHHAIUSA-N 1 0 318.417 2.017 10 0 DEAERO COc1cccc(OC)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246980362 537129684 /nfs/dbraw/zinc/12/96/84/537129684.db2.gz OHHWPWXUXRCFMC-UONOGXRCSA-N 1 0 318.417 2.260 10 0 DEAERO CC(C)[C@H]([NH2+]Cc1cc(Br)ccc1F)C(N)=O ZINC000107323240 563316618 /nfs/dbraw/zinc/31/66/18/563316618.db2.gz LZNKQYUJMPFORM-NSHDSACASA-N 1 0 303.175 2.188 10 0 DEAERO CC1([C@@H]2CCC[N@H+](Cc3nc(-c4ccoc4)no3)C2)OCCO1 ZINC000183902055 625320126 /nfs/dbraw/zinc/32/01/26/625320126.db2.gz ZRYDBRDYPHAAJN-CYBMUJFWSA-N 1 0 319.361 2.305 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CSC(C)(C)C)CC1 ZINC000176864562 625405883 /nfs/dbraw/zinc/40/58/83/625405883.db2.gz XKIAUMJDNHQGHY-ZDUSSCGKSA-N 1 0 316.511 2.069 10 0 DEAERO C[NH+](C)C1(CNCc2nc(Br)c[nH]2)CCCC1 ZINC000310392220 625444627 /nfs/dbraw/zinc/44/46/27/625444627.db2.gz DTRCZUGLUKEOTE-UHFFFAOYSA-N 1 0 301.232 2.136 10 0 DEAERO Cc1cnn([C@H]2CCCN(CN3C[C@@H](C(C)C)CC3=O)C2)c1 ZINC000246863963 622652964 /nfs/dbraw/zinc/65/29/64/622652964.db2.gz AAFNGQAPAQYGLW-HOTGVXAUSA-N 1 0 304.438 2.290 10 0 DEAERO Nc1nc(NC2CC[NH+](Cc3ccccc3)CC2)nc(C2CC2)n1 ZINC000310114194 625639075 /nfs/dbraw/zinc/63/90/75/625639075.db2.gz RJTXLPLHZGDLHL-UHFFFAOYSA-N 1 0 324.432 2.408 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000236696474 625666374 /nfs/dbraw/zinc/66/63/74/625666374.db2.gz NWPJPEYCCSYMMF-ZDUSSCGKSA-N 1 0 315.421 2.210 10 0 DEAERO CC(C)n1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cn1 ZINC000289733580 623980825 /nfs/dbraw/zinc/98/08/25/623980825.db2.gz NSZGUQMGCOAVEU-OLZOCXBDSA-N 1 0 303.366 2.050 10 0 DEAERO C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000049645465 624907494 /nfs/dbraw/zinc/90/74/94/624907494.db2.gz VBXSQHHVTFJGTL-VIFPVBQESA-N 1 0 322.883 2.382 10 0 DEAERO O=C1CC2(CN1CN1CCC[C@H](C(F)(F)F)C1)CCOCC2 ZINC000176700906 624916885 /nfs/dbraw/zinc/91/68/85/624916885.db2.gz RJHOAGDVODDSAF-LBPRGKRZSA-N 1 0 320.355 2.247 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CN(C)Cc2ccccc2)[C@H]1OC ZINC000309862497 625172551 /nfs/dbraw/zinc/17/25/51/625172551.db2.gz DPJAUGCUHCKHHD-BZZMCLGOSA-N 1 0 306.450 2.289 10 0 DEAERO CC(C)[C@H](C(=O)OC[C@@H]1CC(=O)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000162813464 625215550 /nfs/dbraw/zinc/21/55/50/625215550.db2.gz JZDQUZGNGIACES-RHSMWYFYSA-N 1 0 322.449 2.051 10 0 DEAERO O=S1(=O)CC(CC[NH2+]Cc2ccc(Br)s2)C1 ZINC000309578046 632946785 /nfs/dbraw/zinc/94/67/85/632946785.db2.gz RCURGXARKQJIMX-UHFFFAOYSA-N 1 0 324.265 2.035 10 0 DEAERO CCCCN(C)C(=O)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236704437 633141898 /nfs/dbraw/zinc/14/18/98/633141898.db2.gz PZHXJTHYFCCJOJ-JKSUJKDBSA-N 1 0 323.481 2.001 10 0 DEAERO COCOc1ccc(OC)cc1CN1CCC([NH+](C)C)CC1 ZINC000091671314 635323559 /nfs/dbraw/zinc/32/35/59/635323559.db2.gz WHQTWHQVSHQVDR-UHFFFAOYSA-N 1 0 308.422 2.204 10 0 DEAERO CCCCCC[C@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248689739 636214489 /nfs/dbraw/zinc/21/44/89/636214489.db2.gz XPMHVGJXTGPSGY-HRCADAONSA-N 1 0 313.486 2.442 10 0 DEAERO Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H]2C[NH+]3CCC2CC3)c1 ZINC000222546465 636360714 /nfs/dbraw/zinc/36/07/14/636360714.db2.gz VTBLIBHOJAYWRA-PBHICJAKSA-N 1 0 302.418 2.281 10 0 DEAERO C[C@@H]1Oc2ccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)cc2NC1=O ZINC000261935754 636817309 /nfs/dbraw/zinc/81/73/09/636817309.db2.gz TZMVBYGCISIQII-IINYFYTJSA-N 1 0 317.389 2.123 10 0 DEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187157307 637157889 /nfs/dbraw/zinc/15/78/89/637157889.db2.gz PMWJMBCSBWUDPD-MRXNPFEDSA-N 1 0 301.434 2.170 10 0 DEAERO Cc1nonc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000741606491 637996740 /nfs/dbraw/zinc/99/67/40/637996740.db2.gz QFUCXPOOSLOFHC-RISCZKNCSA-N 1 0 320.418 2.252 10 0 DEAERO CC(=O)C(C)(C)CCC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000746179984 638319740 /nfs/dbraw/zinc/31/97/40/638319740.db2.gz SJBYSUJEYPVHKK-MRXNPFEDSA-N 1 0 324.465 2.141 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000746639546 638364457 /nfs/dbraw/zinc/36/44/57/638364457.db2.gz LCCOODDAMYJHIR-UHFFFAOYSA-N 1 0 312.845 2.263 10 0 DEAERO C[NH+](C)[C@]1(CNC(=S)NCc2ccccc2)CCSC1 ZINC000748603295 638578677 /nfs/dbraw/zinc/57/86/77/638578677.db2.gz UTERRHDIGCLWRC-HNNXBMFYSA-N 1 0 309.504 2.088 10 0 DEAERO COC(=O)/C(C)=C\C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000748809710 638593559 /nfs/dbraw/zinc/59/35/59/638593559.db2.gz HMXMKZUJJCDFCE-NVNXTCNLSA-N 1 0 318.417 2.074 10 0 DEAERO O=C(C[NH2+][C@H]1CCc2c1cccc2Br)NC1CC1 ZINC000232465149 640061759 /nfs/dbraw/zinc/06/17/59/640061759.db2.gz ZIQYTUBVOQOITC-ZDUSSCGKSA-N 1 0 309.207 2.305 10 0 DEAERO CC[C@H]1C[C@H](C[NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CCO1 ZINC000263525800 640284901 /nfs/dbraw/zinc/28/49/01/640284901.db2.gz TYZQANXEFRHDLG-VXLLPVPCSA-N 1 0 324.465 2.109 10 0 DEAERO [NH3+][C@@H]1CCO[C@H]1c1cncc(-c2ccc([C@@H]3CCC(=O)N3)cc2)c1 ZINC000906205320 644165501 /nfs/dbraw/zinc/16/55/01/644165501.db2.gz MMWPKCXJHUUVKZ-AOIWGVFYSA-N 1 0 323.396 2.488 10 0 DEAERO CC[C@](O)(C(=O)N(C)CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000800529979 645285168 /nfs/dbraw/zinc/28/51/68/645285168.db2.gz GCMJBBNXMQJNFB-MRXNPFEDSA-N 1 0 312.841 2.348 10 0 DEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(F)c(Br)c1 ZINC000757184300 645937880 /nfs/dbraw/zinc/93/78/80/645937880.db2.gz KNDHBWZCVXKTTB-ZJUUUORDSA-N 1 0 316.170 2.454 10 0 DEAERO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccoc3Br)C[C@H]2C1 ZINC000311146514 646441084 /nfs/dbraw/zinc/44/10/84/646441084.db2.gz ZOTQCQDCZADPQU-VHSXEESVSA-N 1 0 313.195 2.066 10 0 DEAERO C[NH+](C)CC1(CNC(=O)/C=C/c2cccs2)CCOCC1 ZINC000223579517 646499664 /nfs/dbraw/zinc/49/96/64/646499664.db2.gz STPVOSDXKBCWEJ-AATRIKPKSA-N 1 0 308.447 2.236 10 0 DEAERO Cc1nc2c(cnn2C)c(N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000171632446 646708405 /nfs/dbraw/zinc/70/84/05/646708405.db2.gz FITDKKAAMKKWGO-CQSZACIVSA-N 1 0 314.437 2.126 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1c2cc(Cl)ccc2oc1=O ZINC000172508264 646740075 /nfs/dbraw/zinc/74/00/75/646740075.db2.gz GCBNPFJQYVUOOE-DGCLKSJQSA-N 1 0 321.808 2.374 10 0 DEAERO C[C@H](O)C1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000172801893 646752038 /nfs/dbraw/zinc/75/20/38/646752038.db2.gz CUNJZQCFLDKRJO-KBPBESRZSA-N 1 0 312.454 2.336 10 0 DEAERO CC(C)N1C(=O)CN(C[N@H+](C[C@H]2CCCO2)C2CCCC2)C1=O ZINC000172952121 646756739 /nfs/dbraw/zinc/75/67/39/646756739.db2.gz MUNSROWRFVYTOC-OAHLLOKOSA-N 1 0 323.437 2.040 10 0 DEAERO Fc1ccc(-n2ccc(C[NH+]3CCC4(CC3)OCCO4)n2)cc1 ZINC000173529684 646772953 /nfs/dbraw/zinc/77/29/53/646772953.db2.gz PTOIYMOBEPMBHI-UHFFFAOYSA-N 1 0 317.364 2.350 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)NCCSC(F)(F)F)CC[N@@H+]1C ZINC000174103889 646792718 /nfs/dbraw/zinc/79/27/18/646792718.db2.gz UUXKXRYJVONLTB-VHSXEESVSA-N 1 0 313.389 2.364 10 0 DEAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)nc(N(C)C)c2)C1 ZINC000733141819 647889968 /nfs/dbraw/zinc/88/99/68/647889968.db2.gz HVFLPZGCTLHKHA-LBPRGKRZSA-N 1 0 324.856 2.261 10 0 DEAERO CC[N@H+](CCNC(=O)CN(C)c1ccc(Cl)cn1)C(C)C ZINC000733171474 647894966 /nfs/dbraw/zinc/89/49/66/647894966.db2.gz OIIGAJYJCXKECY-UHFFFAOYSA-N 1 0 312.845 2.018 10 0 DEAERO Cc1nn(C(C)C)c(C)c1CN(C)c1cc(CC[NH3+])ncn1 ZINC000067907935 648377158 /nfs/dbraw/zinc/37/71/58/648377158.db2.gz WJINYTIAEPPZII-UHFFFAOYSA-N 1 0 302.426 2.008 10 0 DEAERO COc1ccccc1CNC(=[NH2+])NCc1ccc(Cl)cn1 ZINC000179562517 648397326 /nfs/dbraw/zinc/39/73/26/648397326.db2.gz BBWPHYCOFPCQIO-UHFFFAOYSA-N 1 0 304.781 2.348 10 0 DEAERO CCCCCCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000068315960 648443807 /nfs/dbraw/zinc/44/38/07/648443807.db2.gz ZLEGZZJTEZLRHS-UHFFFAOYSA-N 1 0 304.438 2.144 10 0 DEAERO CCOCC(=O)O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181294405 648609868 /nfs/dbraw/zinc/60/98/68/648609868.db2.gz ZLVADVRANREPHH-QGZVFWFLSA-N 1 0 303.402 2.329 10 0 DEAERO Cn1ccc(CC(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000183199510 649046745 /nfs/dbraw/zinc/04/67/45/649046745.db2.gz YXJZYSHNXAZHCP-QGZVFWFLSA-N 1 0 313.401 2.170 10 0 DEAERO C[NH2+]C[C@@H]1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000071144892 649057434 /nfs/dbraw/zinc/05/74/34/649057434.db2.gz RSNOPHRAQJUQLT-XOVSCCBYSA-N 1 0 314.838 2.182 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CCc2ccnn2C)cc1NC(C)=O ZINC000184013450 649222617 /nfs/dbraw/zinc/22/26/17/649222617.db2.gz PXGVOJZERNEFQG-LBPRGKRZSA-N 1 0 316.405 2.280 10 0 DEAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)C1 ZINC000184137488 649237038 /nfs/dbraw/zinc/23/70/38/649237038.db2.gz HQKQCGQWWQTMBU-RCQQVGEISA-N 1 0 314.838 2.276 10 0 DEAERO CCCCCCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184685271 649342977 /nfs/dbraw/zinc/34/29/77/649342977.db2.gz IOVGXMPMOGZSGW-HNNXBMFYSA-N 1 0 313.486 2.301 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2NC(=O)OC)C1 ZINC000112905169 651606977 /nfs/dbraw/zinc/60/69/77/651606977.db2.gz UKQKWZRKOIGIAH-GFCCVEGCSA-N 1 0 305.378 2.079 10 0 DEAERO CC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C)c1cnn(C)c1 ZINC000858008421 652236147 /nfs/dbraw/zinc/23/61/47/652236147.db2.gz QBPOLEMFYKIEMS-CWRNSKLLSA-N 1 0 317.437 2.362 10 0 DEAERO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1coc(Br)c1 ZINC000383300883 685407636 /nfs/dbraw/zinc/40/76/36/685407636.db2.gz LXDBEKFFGIGNEL-PSASIEDQSA-N 1 0 301.184 2.207 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cn(C)cn1 ZINC000389805954 685435994 /nfs/dbraw/zinc/43/59/94/685435994.db2.gz BMMFJJJOGFXARF-OCCSQVGLSA-N 1 0 308.426 2.155 10 0 DEAERO CC[NH+]1CCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000042244430 683894956 /nfs/dbraw/zinc/89/49/56/683894956.db2.gz LOGXXAZONXAIOV-CQSZACIVSA-N 1 0 302.340 2.376 10 0 DEAERO Cc1ccc(CNC(=[NH2+])NCC(C)C)c(OC[C@H]2CCOC2)c1 ZINC000087001959 684013436 /nfs/dbraw/zinc/01/34/36/684013436.db2.gz HFVMVDKXVANKCA-HNNXBMFYSA-N 1 0 319.449 2.471 10 0 DEAERO CCCn1ncc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1C1CC1 ZINC000093989770 684052381 /nfs/dbraw/zinc/05/23/81/684052381.db2.gz TZGDHFJSLVRQQK-KBPBESRZSA-N 1 0 304.438 2.383 10 0 DEAERO CC(=O)N(c1nc(C[NH2+]CC[C@H]2CCCO2)cs1)C1CC1 ZINC000115611491 684063783 /nfs/dbraw/zinc/06/37/83/684063783.db2.gz LINBFGCOHRQFPC-CQSZACIVSA-N 1 0 309.435 2.317 10 0 DEAERO C[C@@H]1C[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C[N@@H+]1C1CC1 ZINC000126170171 684152429 /nfs/dbraw/zinc/15/24/29/684152429.db2.gz TVAMXYLOYXJSHA-YQPYWJPPSA-N 1 0 306.431 2.202 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCS2(=O)=O)C12CCCCC2 ZINC000126864539 684157537 /nfs/dbraw/zinc/15/75/37/684157537.db2.gz YQJIPDWJFUBGGX-RRFJBIMHSA-N 1 0 315.479 2.281 10 0 DEAERO Fc1ccc(SCc2noc(C[C@H]3COCC[NH2+]3)n2)cc1 ZINC000129646236 684181075 /nfs/dbraw/zinc/18/10/75/684181075.db2.gz KEOZSAUUSHKNCQ-NSHDSACASA-N 1 0 309.366 2.032 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000135633721 684236636 /nfs/dbraw/zinc/23/66/36/684236636.db2.gz GQEVIZLSSBJKDU-KRWDZBQOSA-N 1 0 305.418 2.218 10 0 DEAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187809267 684343812 /nfs/dbraw/zinc/34/38/12/684343812.db2.gz SSGVVLNRMPGQRY-UONOGXRCSA-N 1 0 302.484 2.072 10 0 DEAERO CC1(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)OCCCO1 ZINC000190651020 684410210 /nfs/dbraw/zinc/41/02/10/684410210.db2.gz DGTJPQYMHBVZSE-QGZVFWFLSA-N 1 0 304.434 2.394 10 0 DEAERO COCCc1nc(C)c([C@H](C)[NH2+]CC2(C)OCCCO2)s1 ZINC000190662327 684411582 /nfs/dbraw/zinc/41/15/82/684411582.db2.gz ZHTHXLDEWKXYFD-NSHDSACASA-N 1 0 314.451 2.444 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCSC(F)(F)F ZINC000194453761 685067651 /nfs/dbraw/zinc/06/76/51/685067651.db2.gz KYELNXIKPDSPML-SNVBAGLBSA-N 1 0 313.389 2.413 10 0 DEAERO CCOCCN1CC[N@H+](C[C@H](O)c2ccc(C)cc2)C[C@H]1C ZINC000246730249 685135207 /nfs/dbraw/zinc/13/52/07/685135207.db2.gz MWOGXXPZIXOUJJ-AEFFLSMTSA-N 1 0 306.450 2.071 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[C@@H](O)c2ccccc2)C1 ZINC000246817989 685137202 /nfs/dbraw/zinc/13/72/02/685137202.db2.gz YXWQRFDHEHWJDV-HYVNUMGLSA-N 1 0 319.449 2.282 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1nc(C(C)(C)C)[nH]c1=S ZINC000247196947 685144066 /nfs/dbraw/zinc/14/40/66/685144066.db2.gz VUWILSHDSQBDQI-RYUDHWBXSA-N 1 0 309.483 2.364 10 0 DEAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC000248589998 685162592 /nfs/dbraw/zinc/16/25/92/685162592.db2.gz ZDDXCSDIRRMEOC-ISTVAULSSA-N 1 0 314.788 2.098 10 0 DEAERO CC(=O)N1C[C@H]([NH2+]Cc2c(C)noc2C)CC[C@@H]1C(F)(F)F ZINC000886065717 691996362 /nfs/dbraw/zinc/99/63/62/691996362.db2.gz RLZAPEKNANVAFR-DGCLKSJQSA-N 1 0 319.327 2.323 10 0 DEAERO Cn1ccnc1[C@H]1[C@H]([NH2+][C@H]2CCC(C)(C)C2)CCC(=O)N1C ZINC000886085360 692000053 /nfs/dbraw/zinc/00/00/53/692000053.db2.gz MGZOGRBVURFJDL-GZBFAFLISA-N 1 0 304.438 2.250 10 0 DEAERO CC(C)[C@@](C)(CO)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000398609435 790281864 /nfs/dbraw/zinc/28/18/64/790281864.db2.gz ZWPAXUJMWNVBPP-CZUORRHYSA-N 1 0 300.443 2.383 10 0 DEAERO CC(C)[C@H](C[NH2+][C@H]1CCCOC1)ONC(=O)OC(C)(C)C ZINC000398704353 790288798 /nfs/dbraw/zinc/28/87/98/790288798.db2.gz SNHMOMGYQOZLHP-STQMWFEESA-N 1 0 302.415 2.236 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CCC(C)([NH3+])CC2)c1C ZINC000722602286 776578586 /nfs/dbraw/zinc/57/85/86/776578586.db2.gz RYLJFHATCBFUCJ-UHFFFAOYSA-N 1 0 302.465 2.175 10 0 DEAERO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1coc(Br)c1 ZINC000718895279 777021785 /nfs/dbraw/zinc/02/17/85/777021785.db2.gz NEJKSNYXCJTUKW-WDEREUQCSA-N 1 0 313.195 2.351 10 0 DEAERO CCn1cncc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000723836207 777179001 /nfs/dbraw/zinc/17/90/01/777179001.db2.gz IUBLIFNEVUJXDC-ZIAGYGMSSA-N 1 0 322.453 2.496 10 0 DEAERO CN(C[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(Br)cc1 ZINC000723919231 777203974 /nfs/dbraw/zinc/20/39/74/777203974.db2.gz FLBRJRISHPOQJC-CYBMUJFWSA-N 1 0 311.223 2.406 10 0 DEAERO COCCC1(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724036413 777225689 /nfs/dbraw/zinc/22/56/89/777225689.db2.gz MOPHZPGWBKJHTN-SECBINFHSA-N 1 0 305.287 2.341 10 0 DEAERO C[C@@](O)(C[N@@H+]1CCC[C@@H](CO)CC1)C(F)(F)C(F)(F)F ZINC000724041291 777228816 /nfs/dbraw/zinc/22/88/16/777228816.db2.gz NGCWVMDLZJTNAO-NXEZZACHSA-N 1 0 305.287 2.029 10 0 DEAERO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724042918 777229437 /nfs/dbraw/zinc/22/94/37/777229437.db2.gz SNFNXSYXOVUXOM-LPEHRKFASA-N 1 0 305.287 2.170 10 0 DEAERO C[N@H+](CC1CCOCC1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724111973 777243134 /nfs/dbraw/zinc/24/31/34/777243134.db2.gz RJBVCSNAPIBMBG-SNVBAGLBSA-N 1 0 305.287 2.293 10 0 DEAERO C[C@H](O)CC(C)(C)C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724113702 777243710 /nfs/dbraw/zinc/24/37/10/777243710.db2.gz GOXUELIGSUUNPG-WCBMZHEXSA-N 1 0 307.303 2.322 10 0 DEAERO Cc1nc(C)c(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)[nH]1 ZINC000724785298 777473950 /nfs/dbraw/zinc/47/39/50/777473950.db2.gz SZURBYPFIYYHNP-JTQLQIEISA-N 1 0 308.426 2.372 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CC[NH2+]CCC12CCC2 ZINC000725080325 777578415 /nfs/dbraw/zinc/57/84/15/777578415.db2.gz JGTPCKWVNPJFIC-UHFFFAOYSA-N 1 0 314.476 2.272 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000722268716 778556126 /nfs/dbraw/zinc/55/61/26/778556126.db2.gz ZRMMNZSQXAABNA-TUVASFSCSA-N 1 0 311.470 2.220 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c1C ZINC000722569354 778789650 /nfs/dbraw/zinc/78/96/50/778789650.db2.gz WUHAJJSHDRWPSA-OCCSQVGLSA-N 1 0 314.476 2.236 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N(C)C2CC[NH2+]CC2)c1C ZINC000722568975 778789695 /nfs/dbraw/zinc/78/96/95/778789695.db2.gz TWIVWIWJANJNQH-UHFFFAOYSA-N 1 0 302.465 2.046 10 0 DEAERO CCc1ccc([C@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)s1 ZINC000721262338 781074722 /nfs/dbraw/zinc/07/47/22/781074722.db2.gz TUKCETQQPZUGRQ-SMDDNHRTSA-N 1 0 317.476 2.165 10 0 DEAERO CCc1ccc([C@H](C)[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)s1 ZINC000721262334 781075150 /nfs/dbraw/zinc/07/51/50/781075150.db2.gz TUKCETQQPZUGRQ-FZMZJTMJSA-N 1 0 317.476 2.165 10 0 DEAERO C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1cn(C)nn1 ZINC000721896508 781587639 /nfs/dbraw/zinc/58/76/39/781587639.db2.gz IREZKVKRBBQQQT-WCQYABFASA-N 1 0 323.441 2.111 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000722265407 787326898 /nfs/dbraw/zinc/32/68/98/787326898.db2.gz HEGQGBJTSIPHQW-KFWWJZLASA-N 1 0 311.470 2.316 10 0 DEAERO CN1C[C@H](CC[NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1=O ZINC000723581991 787344460 /nfs/dbraw/zinc/34/44/60/787344460.db2.gz MQHSDTPDUJSXBS-MSOLQXFVSA-N 1 0 315.461 2.109 10 0 DEAERO Cc1noc(CC[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000724026907 787347077 /nfs/dbraw/zinc/34/70/77/787347077.db2.gz IFLWEVGWMZDZLC-STQMWFEESA-N 1 0 324.425 2.204 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@H](CO)C2CCC2)C1 ZINC000724086043 787349003 /nfs/dbraw/zinc/34/90/03/787349003.db2.gz WUOXCXZKYKDTAQ-VHDGCEQUSA-N 1 0 312.454 2.430 10 0 DEAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724623494 787351900 /nfs/dbraw/zinc/35/19/00/787351900.db2.gz UEVSGVYJVHGTJB-SQNIBIBYSA-N 1 0 318.461 2.291 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)CCN1Cc1ccccc1 ZINC000724630163 787352106 /nfs/dbraw/zinc/35/21/06/787352106.db2.gz WYVPKGAUBIKGIK-IQRFUGTFSA-N 1 0 316.445 2.043 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)CN1Cc1ccccc1 ZINC000724655208 787352459 /nfs/dbraw/zinc/35/24/59/787352459.db2.gz AOUYTEZTUWCIHR-DBDQLMEASA-N 1 0 316.445 2.043 10 0 DEAERO CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CC23CC(O)C3)CC1 ZINC000725001029 787355970 /nfs/dbraw/zinc/35/59/70/787355970.db2.gz MYRVERFEMNSROR-ZZTKBFGJSA-N 1 0 310.438 2.325 10 0 DEAERO CC(C)(CC[NH3+])NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000397389633 790180577 /nfs/dbraw/zinc/18/05/77/790180577.db2.gz PYYTXJKWYOVLQP-YFHOEESVSA-N 1 0 302.827 2.358 10 0 DEAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cnn(C)c1Cl ZINC000712419749 792186827 /nfs/dbraw/zinc/18/68/27/792186827.db2.gz BVXVKTRUUDYSGL-UWVGGRQHSA-N 1 0 316.833 2.465 10 0 DEAERO CCC[NH+]1CCC(NCc2cn(C)nc2Br)CC1 ZINC000712460588 792188393 /nfs/dbraw/zinc/18/83/93/792188393.db2.gz DRKXWGIQIAWVIJ-UHFFFAOYSA-N 1 0 315.259 2.147 10 0 DEAERO Cn1cc(C[NH2+]C[C@H]2CCCSC2)c(Br)n1 ZINC000712471711 792190029 /nfs/dbraw/zinc/19/00/29/792190029.db2.gz WAUMZGDUTRWIIK-SECBINFHSA-N 1 0 304.257 2.415 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NCc1cn(C)nc1Br ZINC000712463557 792190062 /nfs/dbraw/zinc/19/00/62/792190062.db2.gz RWXUIYHDRQVJFK-LLVKDONJSA-N 1 0 315.259 2.147 10 0 DEAERO CCOC[C@@H](O)C[NH2+]CCc1sccc1Br ZINC000713013551 792211914 /nfs/dbraw/zinc/21/19/14/792211914.db2.gz KRAPVFPHDCQMHU-VIFPVBQESA-N 1 0 308.241 2.040 10 0 DEAERO Brc1c[nH]c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)n1 ZINC000713573348 792236542 /nfs/dbraw/zinc/23/65/42/792236542.db2.gz XLLYOLVELCWFJQ-GGZOMVNGSA-N 1 0 312.211 2.219 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(Cc3ncc(Br)s3)C[C@]2(C)C1 ZINC000713658565 792243302 /nfs/dbraw/zinc/24/33/02/792243302.db2.gz PZFXRIDKENHVAH-SKDRFNHKSA-N 1 0 316.268 2.289 10 0 DEAERO Cn1cc(C[N@@H+]2CCC3(C2)CCOCC3)c(Br)n1 ZINC000713883163 792247234 /nfs/dbraw/zinc/24/72/34/792247234.db2.gz YUZKMMJQJILPNV-UHFFFAOYSA-N 1 0 314.227 2.185 10 0 DEAERO O=S1(=O)CCC[C@@H]1CC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000714329164 792307372 /nfs/dbraw/zinc/30/73/72/792307372.db2.gz ZHOGBZHDQGKRAV-OFLPRAFFSA-N 1 0 323.458 2.291 10 0 DEAERO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)CC1CCCCC1 ZINC000714340326 792309426 /nfs/dbraw/zinc/30/94/26/792309426.db2.gz XWPHNWZWDBAJBM-UHFFFAOYSA-N 1 0 316.389 2.110 10 0 DEAERO COc1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714364428 792312398 /nfs/dbraw/zinc/31/23/98/792312398.db2.gz HNXRWMMEAMAKMH-ZDUSSCGKSA-N 1 0 317.838 2.406 10 0 DEAERO CC(C)(C)CCS(=O)(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000714447803 792321640 /nfs/dbraw/zinc/32/16/40/792321640.db2.gz BLVYOIQPICTQBC-UHFFFAOYSA-N 1 0 304.500 2.449 10 0 DEAERO CC(C)[C@@H](C(=O)NCc1ncc(Br)s1)[C@@H](C)[NH3+] ZINC000714950523 792374541 /nfs/dbraw/zinc/37/45/41/792374541.db2.gz JULAWMCIGCKXSR-GMSGAONNSA-N 1 0 320.256 2.141 10 0 DEAERO O=C(CC(F)(F)C(F)(F)F)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715045029 792378755 /nfs/dbraw/zinc/37/87/55/792378755.db2.gz LNTRBJZQXMTJTO-IUCAKERBSA-N 1 0 300.271 2.175 10 0 DEAERO [NH3+]C1CC(CNC(=O)c2c(F)cccc2Br)C1 ZINC000715108431 792383396 /nfs/dbraw/zinc/38/33/96/792383396.db2.gz RPSRDICPQJFLJU-UHFFFAOYSA-N 1 0 301.159 2.055 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)NCc2c(Cl)cccc2Cl)C1(F)F ZINC000715155730 792397671 /nfs/dbraw/zinc/39/76/71/792397671.db2.gz HOVRJUMSHVBEHF-GMSGAONNSA-N 1 0 309.143 2.450 10 0 DEAERO C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1cccc(S(N)(=O)=O)c1 ZINC000715627844 792481898 /nfs/dbraw/zinc/48/18/98/792481898.db2.gz XZYBSYOXRFEFJM-YPMHNXCESA-N 1 0 314.476 2.270 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1cn(C)nn1 ZINC000715858045 792527208 /nfs/dbraw/zinc/52/72/08/792527208.db2.gz VQGZSZCLYBTAGN-RWMBFGLXSA-N 1 0 323.441 2.159 10 0 DEAERO C[C@H](NS(=O)(=O)c1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000716544664 792978235 /nfs/dbraw/zinc/97/82/35/792978235.db2.gz JAEGTZKHTCEFOP-QMMMGPOBSA-N 1 0 308.856 2.068 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC[C@H](O)C(F)F)C1(C)C ZINC000716753873 793004689 /nfs/dbraw/zinc/00/46/89/793004689.db2.gz PETKSLDUXISEIN-GARJFASQSA-N 1 0 322.396 2.284 10 0 DEAERO c1cc2c(c(C[NH2+]CCc3nnc4n3CCCCC4)c1)OCO2 ZINC000067698176 794679969 /nfs/dbraw/zinc/67/99/69/794679969.db2.gz TYDOVKBUOIMNAF-UHFFFAOYSA-N 1 0 314.389 2.066 10 0 DEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000245846117 798020310 /nfs/dbraw/zinc/02/03/10/798020310.db2.gz ILOLVSNJIPDZQA-QLFBSQMISA-N 1 0 300.406 2.212 10 0 DEAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)C1 ZINC000246103290 798113848 /nfs/dbraw/zinc/11/38/48/798113848.db2.gz HQMCHPNGMRWFDJ-DWQUBVKVSA-N 1 0 315.417 2.410 10 0 DEAERO FC1(F)CC[NH2+]C[C@@H]1CNCc1cnn(Cc2ccccc2)c1 ZINC000717308424 799377189 /nfs/dbraw/zinc/37/71/89/799377189.db2.gz UGTHERDPRPARLR-MRXNPFEDSA-N 1 0 320.387 2.266 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccc(Cl)c(Cl)c1 ZINC000089755222 801012601 /nfs/dbraw/zinc/01/26/01/801012601.db2.gz JFZKXEIGXVBCBE-CPCISQLKSA-N 1 0 301.173 2.449 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CC3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401693673 801841857 /nfs/dbraw/zinc/84/18/57/801841857.db2.gz ISDNNIYZUITXCX-QLFBSQMISA-N 1 0 323.481 2.458 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401712429 801844734 /nfs/dbraw/zinc/84/47/34/801844734.db2.gz IYIVUYQSQZJODR-RBSFLKMASA-N 1 0 311.470 2.316 10 0 DEAERO CN1CC[C@H]([NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)C1 ZINC000404570855 802024453 /nfs/dbraw/zinc/02/44/53/802024453.db2.gz HNLGWFFSIHYHFJ-BFHYXJOUSA-N 1 0 309.454 2.116 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cnccn2)C12CCC2 ZINC000404771851 802031509 /nfs/dbraw/zinc/03/15/09/802031509.db2.gz ZQPPVODVYYSMOD-ZIAGYGMSSA-N 1 0 318.421 2.402 10 0 DEAERO CC(C)[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405294136 802048466 /nfs/dbraw/zinc/04/84/66/802048466.db2.gz ZWMCRBWUXMENEW-HZSPNIEDSA-N 1 0 312.454 2.429 10 0 DEAERO C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000405649479 802076257 /nfs/dbraw/zinc/07/62/57/802076257.db2.gz QJIHOYPCACTYGM-JBLDHEPKSA-N 1 0 302.216 2.049 10 0 DEAERO O=C([O-])C1(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000691598924 976373199 /nfs/dbraw/zinc/37/31/99/976373199.db2.gz YZDUCQWUYGWRPI-SJORKVTESA-N 1 0 314.429 2.305 10 0 DEAERO c1cc2c(cc1C[NH2+]CCCOC[C@H]1CCCO1)OCCO2 ZINC000066403635 1079842509 /nfs/dbraw/zinc/84/25/09/1079842509.db2.gz DFJCESGPKVNDBK-OAHLLOKOSA-N 1 0 307.390 2.133 10 0 DEAERO c1ccc(N2CCOCC2)c(C[NH2+]CCN2CCCCC2)c1 ZINC000066971159 1079866791 /nfs/dbraw/zinc/86/67/91/1079866791.db2.gz XGQHYSNBANLIIB-UHFFFAOYSA-N 1 0 303.450 2.099 10 0 DEAERO C=CCOc1ccc(C[NH2+]C[C@H](O)C2CCOCC2)cc1OC ZINC000076905234 1080404314 /nfs/dbraw/zinc/40/43/14/1080404314.db2.gz XVRZIJLJVSATDG-INIZCTEOSA-N 1 0 321.417 2.137 10 0 DEAERO c1cn(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cn2)cn1 ZINC000077326572 1080462694 /nfs/dbraw/zinc/46/26/94/1080462694.db2.gz CYLXZAVVDCWFTC-UHFFFAOYSA-N 1 0 306.369 2.492 10 0 DEAERO O=C1OCCN1CCC[NH2+]Cc1ccc(Br)s1 ZINC000077405587 1080468872 /nfs/dbraw/zinc/46/88/72/1080468872.db2.gz CIXTZLXDWFUBIP-UHFFFAOYSA-N 1 0 319.224 2.443 10 0 DEAERO c1cc(C[NH2+]CCCOC[C@@H]2CCOC2)c2c(c1)OCCCO2 ZINC000077447158 1080473626 /nfs/dbraw/zinc/47/36/26/1080473626.db2.gz ZVERYKYNWYBSEX-HNNXBMFYSA-N 1 0 321.417 2.381 10 0 DEAERO C[C@H](Cc1ccsc1)[N@H+](C)Cc1cc(=O)n2nccc2[nH]1 ZINC000081598102 1081125821 /nfs/dbraw/zinc/12/58/21/1081125821.db2.gz BQEJIUJNOXBTCL-LLVKDONJSA-N 1 0 302.403 2.147 10 0 DEAERO OC1(CCNCc2ccon2)CC[NH+](Cc2ccccc2)CC1 ZINC000717929487 1081800350 /nfs/dbraw/zinc/80/03/50/1081800350.db2.gz YWVQLNHIOPYJLI-UHFFFAOYSA-N 1 0 315.417 2.181 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1C[C@@H](O)C1)COc1c(Cl)cccc1Cl ZINC000720967708 1085192369 /nfs/dbraw/zinc/19/23/69/1085192369.db2.gz RVWMOXSKJBUYAX-GMTAPVOTSA-N 1 0 320.216 2.094 10 0 DEAERO CC1(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC(F)(F)C1 ZINC000720505324 1085258211 /nfs/dbraw/zinc/25/82/11/1085258211.db2.gz JFZYTWFCPLTHGK-SFYZADRCSA-N 1 0 300.271 2.017 10 0 DEAERO O=C(Nc1ccc(Br)c(F)c1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721006772 1085503217 /nfs/dbraw/zinc/50/32/17/1085503217.db2.gz AOZMTKREOUVKER-VDDIYKPWSA-N 1 0 313.170 2.382 10 0 DEAERO Cn1cc(C[NH2+]C[C@@H]2COc3ccccc32)c(Br)n1 ZINC000720688076 1085937290 /nfs/dbraw/zinc/93/72/90/1085937290.db2.gz IYVYONIOIGXUKL-LLVKDONJSA-N 1 0 322.206 2.448 10 0 DEAERO C[C@H](CC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C(F)(F)F ZINC000720818314 1086169084 /nfs/dbraw/zinc/16/90/84/1086169084.db2.gz UTYFUDRUALAQQL-PRJMDXOYSA-N 1 0 306.250 2.171 10 0 DEAERO CN(Cc1ccc(Cl)s1)C(=O)CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000720829158 1086184668 /nfs/dbraw/zinc/18/46/68/1086184668.db2.gz VLQMGFCUHGMCKQ-NSHDSACASA-N 1 0 315.870 2.029 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1nc(Cl)ccc1Cl)C(F)(F)F ZINC000700307319 1086313556 /nfs/dbraw/zinc/31/35/56/1086313556.db2.gz GZPIIIBUKGYQEE-YFKPBYRVSA-N 1 0 302.083 2.008 10 0 DEAERO C[C@@H]1CC[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)cc2)C[NH2+]1 ZINC000700706742 1086330345 /nfs/dbraw/zinc/33/03/45/1086330345.db2.gz YGOFTWAKSCTFQT-LXVYHGRKSA-N 1 0 314.838 2.371 10 0 DEAERO [NH3+]C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1C(F)(F)F ZINC000700806836 1086334663 /nfs/dbraw/zinc/33/46/63/1086334663.db2.gz GXHMLXMKBJTTJG-YUMQZZPRSA-N 1 0 300.271 2.017 10 0 DEAERO C[C@H](F)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000702638510 1086448465 /nfs/dbraw/zinc/44/84/65/1086448465.db2.gz MCGRDHCKYGCZOV-RWMBFGLXSA-N 1 0 304.406 2.349 10 0 DEAERO CC[C@@H]1[C@@H]([NH2+]Cc2ccn(C)n2)CCN1C(=O)OC(C)(C)C ZINC000704624579 1086585871 /nfs/dbraw/zinc/58/58/71/1086585871.db2.gz UTONQNSGEOUXLI-UONOGXRCSA-N 1 0 308.426 2.298 10 0 DEAERO C[N@@H+]1C[C@@]2(C)CN(c3ncncc3Br)C[C@@]2(C)C1 ZINC000707137645 1086660712 /nfs/dbraw/zinc/66/07/12/1086660712.db2.gz ZHSCXMXHMUHVHT-BETUJISGSA-N 1 0 311.227 2.017 10 0 DEAERO OCC[NH2+][C@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000708564620 1086681064 /nfs/dbraw/zinc/68/10/64/1086681064.db2.gz ITFOBIOQYRWFKN-JTQLQIEISA-N 1 0 319.268 2.057 10 0 DEAERO OC[C@@H]1CCCN(Cc2csc(Br)c2)[C@@H]1CO ZINC000709782956 1086684521 /nfs/dbraw/zinc/68/45/21/1086684521.db2.gz WVQIGEYOIWXXSF-WDEREUQCSA-N 1 0 320.252 2.076 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)N(C)CCCCCC[NH3+])c1 ZINC000710693875 1086688697 /nfs/dbraw/zinc/68/86/97/1086688697.db2.gz NNOYCOUIDDIXBD-UHFFFAOYSA-N 1 0 302.415 2.274 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CC2CCC(O)CC2)C1 ZINC000711439951 1087106578 /nfs/dbraw/zinc/10/65/78/1087106578.db2.gz KEPKWUJNSVFYKB-HFDVOGEKSA-N 1 0 312.454 2.430 10 0 DEAERO CC[C@@H](O)CCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711449654 1087117554 /nfs/dbraw/zinc/11/75/54/1087117554.db2.gz KWVPDJAEXOBIJS-HZSPNIEDSA-N 1 0 300.443 2.430 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000711510480 1087145229 /nfs/dbraw/zinc/14/52/29/1087145229.db2.gz YOAQWCODXNVVLX-ATGSNQNLSA-N 1 0 310.438 2.447 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000711630117 1087178584 /nfs/dbraw/zinc/17/85/84/1087178584.db2.gz ABUPNXWEOSPCME-ZWNOBZJWSA-N 1 0 313.195 2.365 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711644371 1087185219 /nfs/dbraw/zinc/18/52/19/1087185219.db2.gz FOOJOOBXWMIAGW-UONOGXRCSA-N 1 0 314.838 2.211 10 0 DEAERO CO[C@]1(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CCSC1 ZINC000719247456 1088912894 /nfs/dbraw/zinc/91/28/94/1088912894.db2.gz GOJHMRRPCVMQPQ-CXQJBGSLSA-N 1 0 313.385 2.334 10 0 DEAERO COC[C@H](CC[NH2+]Cc1nc(C)c(Br)s1)OC ZINC000719258478 1088915460 /nfs/dbraw/zinc/91/54/60/1088915460.db2.gz VETGWHFJUDEDCK-VIFPVBQESA-N 1 0 323.256 2.355 10 0 DEAERO Cc1nc(C[NH2+][C@H](CO)C2CCC2)sc1Br ZINC000719287662 1088927530 /nfs/dbraw/zinc/92/75/30/1088927530.db2.gz LJGROZDCFYAWHA-SECBINFHSA-N 1 0 305.241 2.465 10 0 DEAERO COC[C@@H](O)C[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719534453 1089287298 /nfs/dbraw/zinc/28/72/98/1089287298.db2.gz IOPBPKABTUBBQV-LBPRGKRZSA-N 1 0 302.212 2.163 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CCN1C ZINC000719570512 1089305717 /nfs/dbraw/zinc/30/57/17/1089305717.db2.gz OOYPVFAOBVQWOX-APIJFGDWSA-N 1 0 311.470 2.457 10 0 DEAERO C[C@@H]1[C@@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CCN1C ZINC000719577828 1089309196 /nfs/dbraw/zinc/30/91/96/1089309196.db2.gz DGHOZQJWALICOU-ILXRZTDVSA-N 1 0 311.470 2.458 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(N)nc(Cl)c2)[C@H](C)C1 ZINC000172990739 1090118465 /nfs/dbraw/zinc/11/84/65/1090118465.db2.gz ADRUTICHQXKRGX-PWSUYJOCSA-N 1 0 310.829 2.120 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2CCC[C@H]1SCCS(C)(=O)=O ZINC000081768975 192322308 /nfs/dbraw/zinc/32/23/08/192322308.db2.gz SALBXCYWOKRWHP-HUUCEWRRSA-N 1 0 313.488 2.430 10 0 DEAERO COc1ccc([C@H]([NH3+])[C@H](C)Sc2nnnn2C2CC2)cc1 ZINC000081867746 192333478 /nfs/dbraw/zinc/33/34/78/192333478.db2.gz DYWKXAOGPYVCJU-TVQRCGJNSA-N 1 0 305.407 2.197 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@H]1Sc1ncc(C)cn1)OCCO2 ZINC000081893743 192334280 /nfs/dbraw/zinc/33/42/80/192334280.db2.gz VMUIREOPBVNARU-QWHCGFSZSA-N 1 0 309.435 2.151 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1SCCCOC)OCCO2 ZINC000081887564 192334424 /nfs/dbraw/zinc/33/44/24/192334424.db2.gz LXNZOQXTHDCJDS-KBPBESRZSA-N 1 0 303.468 2.420 10 0 DEAERO CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)Sc1n[nH]c(=O)n1C ZINC000081880661 192334691 /nfs/dbraw/zinc/33/46/91/192334691.db2.gz NUXHYSJYQMSSRT-DGCLKSJQSA-N 1 0 306.435 2.330 10 0 DEAERO C[NH2+][C@@H](CSc1cnn(C)c1)c1ccc2c(c1)OCCO2 ZINC000081897429 192335610 /nfs/dbraw/zinc/33/56/10/192335610.db2.gz QGLCHFZDXUMNMN-ZDUSSCGKSA-N 1 0 305.403 2.244 10 0 DEAERO C[C@@H](CS(C)(=O)=O)NC1=[NH+][C@]2(CS1)CCC[C@@H](C)C2 ZINC000081904885 192336911 /nfs/dbraw/zinc/33/69/11/192336911.db2.gz LCJVCINLPZIYIH-NTZNESFSSA-N 1 0 304.481 2.061 10 0 DEAERO CC[C@H]1CCCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000096666082 185385421 /nfs/dbraw/zinc/38/54/21/185385421.db2.gz AYYLCDVHJLBSKC-INIZCTEOSA-N 1 0 316.449 2.238 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000081920244 192338351 /nfs/dbraw/zinc/33/83/51/192338351.db2.gz USNOKJSILKTHLW-KBPBESRZSA-N 1 0 317.838 2.271 10 0 DEAERO COc1ccc([C@H]([NH3+])CS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000081921032 192338368 /nfs/dbraw/zinc/33/83/68/192338368.db2.gz UYAAQGLZHOXPJP-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1 ZINC000134365473 282122479 /nfs/dbraw/zinc/12/24/79/282122479.db2.gz KDCZVUCYEZBYEP-QGZVFWFLSA-N 1 0 316.445 2.188 10 0 DEAERO C(CN1CC[NH+](CC2CCCCC2)CC1)OC1CCOCC1 ZINC000625107839 365645576 /nfs/dbraw/zinc/64/55/76/365645576.db2.gz LUMQKLBBKYAJLX-UHFFFAOYSA-N 1 0 310.482 2.380 10 0 DEAERO C[NH2+][C@H](C)[C@H](C)S(=O)(=O)c1ccc(Br)cc1 ZINC000081933465 192340953 /nfs/dbraw/zinc/34/09/53/192340953.db2.gz QMWDEENYHGCFGF-BDAKNGLRSA-N 1 0 306.225 2.219 10 0 DEAERO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000163786642 197649817 /nfs/dbraw/zinc/64/98/17/197649817.db2.gz VNLWSQGTHRZVGN-UWVGGRQHSA-N 1 0 320.817 2.085 10 0 DEAERO CCC(CC)(OC)[C@H]([NH2+]C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000164489658 197653602 /nfs/dbraw/zinc/65/36/02/197653602.db2.gz FISNYYSSVUZZQJ-HZSPNIEDSA-N 1 0 305.484 2.383 10 0 DEAERO C[C@H](CC(=O)c1c(Br)cnn1C)[C@@H]1CCC[NH2+]C1 ZINC000164533419 197655527 /nfs/dbraw/zinc/65/55/27/197655527.db2.gz ARQGMPDHFHDFCJ-NXEZZACHSA-N 1 0 314.227 2.391 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(Br)cc1 ZINC000081933816 192341874 /nfs/dbraw/zinc/34/18/74/192341874.db2.gz DEQFBIQIBIFBGC-NWDGAFQWSA-N 1 0 318.236 2.493 10 0 DEAERO C[C@@H]([NH2+]Cc1c(Br)cnn1C)[C@@H]1CCCCO1 ZINC000278622906 214283051 /nfs/dbraw/zinc/28/30/51/214283051.db2.gz DVZDFJYZASVWCQ-SKDRFNHKSA-N 1 0 302.216 2.230 10 0 DEAERO CC(=O)c1ccc(N2CC[NH+](CC(C)(C)O)CC2)cc1Cl ZINC000078942204 185132626 /nfs/dbraw/zinc/13/26/26/185132626.db2.gz SLDBUDLYGRQXNE-UHFFFAOYSA-N 1 0 310.825 2.436 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2C[NH3+])CC1 ZINC000079308559 185164366 /nfs/dbraw/zinc/16/43/66/185164366.db2.gz KMWFSEQKVLJDAW-CQSZACIVSA-N 1 0 310.463 2.487 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC000079358099 185166962 /nfs/dbraw/zinc/16/69/62/185166962.db2.gz SIQYXFYFNFHCBN-CQSZACIVSA-N 1 0 310.463 2.389 10 0 DEAERO COCc1nc(Cc2ccc(OC)c(OC)c2)sc1C[NH3+] ZINC000082445225 185183558 /nfs/dbraw/zinc/18/35/58/185183558.db2.gz DINZUJUPWCNBHK-UHFFFAOYSA-N 1 0 308.403 2.356 10 0 DEAERO COc1cc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)ccc1F ZINC000153153106 282162680 /nfs/dbraw/zinc/16/26/80/282162680.db2.gz NTFNOGGGCGRCPP-DZGCQCFKSA-N 1 0 310.413 2.332 10 0 DEAERO O[C@H](c1ccc(I)cc1)[C@@H]1CCCC[NH2+]1 ZINC000082954586 185209486 /nfs/dbraw/zinc/20/94/86/185209486.db2.gz KYUXQCXTKONMAJ-NWDGAFQWSA-N 1 0 317.170 2.467 10 0 DEAERO CC[NH2+][C@@H](CCO)CSc1ccc(Br)cn1 ZINC000082990729 185210301 /nfs/dbraw/zinc/21/03/01/185210301.db2.gz PHPQACUSPCGOFU-JTQLQIEISA-N 1 0 305.241 2.297 10 0 DEAERO COc1ccc(OC)c([C@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170826749 282180644 /nfs/dbraw/zinc/18/06/44/282180644.db2.gz VCMGRPNZBSMJFR-QWHCGFSZSA-N 1 0 321.421 2.110 10 0 DEAERO CC[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(OC)cc1 ZINC000170826282 282180725 /nfs/dbraw/zinc/18/07/25/282180725.db2.gz HKHMJPCZIRWQJJ-GOEBONIOSA-N 1 0 305.422 2.492 10 0 DEAERO CC(C)[C@H](C[NH3+])NC(=O)c1cc(F)ccc1Br ZINC000087403396 185223582 /nfs/dbraw/zinc/22/35/82/185223582.db2.gz PQIWQFUJDAKUFE-NSHDSACASA-N 1 0 303.175 2.301 10 0 DEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000087403816 185223829 /nfs/dbraw/zinc/22/38/29/185223829.db2.gz FGRVNNFFIAHVCO-VIFPVBQESA-N 1 0 311.234 2.399 10 0 DEAERO CCCN(C(=O)c1snnc1C(C)(C)C)C1CC[NH2+]CC1 ZINC000087455398 185225647 /nfs/dbraw/zinc/22/56/47/185225647.db2.gz WEOZODUTCCCNMV-UHFFFAOYSA-N 1 0 310.467 2.440 10 0 DEAERO CC(=O)c1csc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)n1 ZINC000087619949 185229239 /nfs/dbraw/zinc/22/92/39/185229239.db2.gz VJYHNHPKVRFMPX-GFCCVEGCSA-N 1 0 301.371 2.171 10 0 DEAERO CNC(=O)Cc1nc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cs1 ZINC000173205223 282188975 /nfs/dbraw/zinc/18/89/75/282188975.db2.gz MREYPGNIYRCXKN-CQSZACIVSA-N 1 0 315.442 2.421 10 0 DEAERO Cc1cc(C(=O)NC[C@H]2CC[NH2+]C2)sc1Br ZINC000087654694 185229776 /nfs/dbraw/zinc/22/97/76/185229776.db2.gz YIFLXQWQQGTHTE-QMMMGPOBSA-N 1 0 303.225 2.158 10 0 DEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)Nc1ccccc1S(C)(=O)=O ZINC000087694076 185230618 /nfs/dbraw/zinc/23/06/18/185230618.db2.gz MFMWIWNHVBDVQF-NEPJUHHUSA-N 1 0 312.435 2.182 10 0 DEAERO CCOC(=O)CN(CC(C)C)C(=O)[C@H](C)CCC[C@@H](C)[NH3+] ZINC000087696159 185230723 /nfs/dbraw/zinc/23/07/23/185230723.db2.gz WMFBJULZSXDQJX-ZIAGYGMSSA-N 1 0 300.443 2.188 10 0 DEAERO COc1ccccc1Nc1nc(NN)[nH+]cc1Br ZINC000087896553 185235622 /nfs/dbraw/zinc/23/56/22/185235622.db2.gz HSHLHDHIWAJUHF-UHFFFAOYSA-N 1 0 310.155 2.277 10 0 DEAERO COc1ccc(Br)c(C[C@@](C)(C[NH3+])[C@@H](C)O)c1 ZINC000087932091 185237550 /nfs/dbraw/zinc/23/75/50/185237550.db2.gz KWXOSLKGYSWIHA-RNCFNFMXSA-N 1 0 302.212 2.346 10 0 DEAERO [NH3+]C[C@@H](NC[C@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000087928232 185237600 /nfs/dbraw/zinc/23/76/00/185237600.db2.gz IMCXOBCUIMZHEA-ZWNOBZJWSA-N 1 0 317.202 2.357 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)[C@@H]1COc2ccccc2C1 ZINC000088021234 185237829 /nfs/dbraw/zinc/23/78/29/185237829.db2.gz YFSZUTIXEBZMFC-GJZGRUSLSA-N 1 0 311.447 2.041 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)[C@H]1COc2ccccc2C1 ZINC000088021233 185237879 /nfs/dbraw/zinc/23/78/79/185237879.db2.gz YFSZUTIXEBZMFC-HUUCEWRRSA-N 1 0 311.447 2.041 10 0 DEAERO COc1ccc(C[S@@](=O)C[C@H](C)[NH3+])cc1Br ZINC000088069718 185238541 /nfs/dbraw/zinc/23/85/41/185238541.db2.gz URKQSTQJHXDJER-ZKANADHPSA-N 1 0 306.225 2.054 10 0 DEAERO CC(C)C[NH2+]Cc1cccc(Cl)c1OCCOCCO ZINC000165576962 197678278 /nfs/dbraw/zinc/67/82/78/197678278.db2.gz QZVXROXIMLLQLI-UHFFFAOYSA-N 1 0 301.814 2.473 10 0 DEAERO CCOC(=O)CCn1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837395 185233121 /nfs/dbraw/zinc/23/31/21/185233121.db2.gz GRXLVXHTGNBLBZ-UHFFFAOYSA-N 1 0 312.167 2.334 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(F)cc1Br)[C@@H]1COCCO1 ZINC000087857503 185233643 /nfs/dbraw/zinc/23/36/43/185233643.db2.gz SJOPXUJUWACORQ-STQMWFEESA-N 1 0 318.186 2.134 10 0 DEAERO CC[NH2+][C@@H](Cc1ccccc1Br)[C@H]1COCCO1 ZINC000087857920 185233933 /nfs/dbraw/zinc/23/39/33/185233933.db2.gz OQOHLKMLGKYMFU-UONOGXRCSA-N 1 0 314.223 2.385 10 0 DEAERO CC1(C)C[NH2+]CCN1CC(=O)Nc1ncc(Cl)cc1Cl ZINC000088146804 185240709 /nfs/dbraw/zinc/24/07/09/185240709.db2.gz FYTFUHGOBPAQAT-UHFFFAOYSA-N 1 0 317.220 2.011 10 0 DEAERO [NH3+]CCC1(CS(=O)(=O)c2ccccc2Br)CC1 ZINC000088272352 185244315 /nfs/dbraw/zinc/24/43/15/185244315.db2.gz RYGQDKWIOQJMKG-UHFFFAOYSA-N 1 0 318.236 2.352 10 0 DEAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000088276875 185244776 /nfs/dbraw/zinc/24/47/76/185244776.db2.gz WWAKXSVFRGIGMK-SNVBAGLBSA-N 1 0 311.813 2.389 10 0 DEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000088321796 185245795 /nfs/dbraw/zinc/24/57/95/185245795.db2.gz FHYSDVVTMXYQSG-UHFFFAOYSA-N 1 0 301.184 2.394 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000180595552 282198475 /nfs/dbraw/zinc/19/84/75/282198475.db2.gz RIFMXUQFWBROQZ-HIFRSBDPSA-N 1 0 321.396 2.385 10 0 DEAERO COC(=O)[C@](C)(CCC[N@H+](C)CCC(F)(F)F)NC1CC1 ZINC000088434662 185250082 /nfs/dbraw/zinc/25/00/82/185250082.db2.gz BTFCHJXKJPAHJO-ZDUSSCGKSA-N 1 0 310.360 2.335 10 0 DEAERO CCN[C@](C)(C[NH+]1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC000088435499 185250403 /nfs/dbraw/zinc/25/04/03/185250403.db2.gz GCAMNVGNEMGZSJ-CYBMUJFWSA-N 1 0 310.360 2.192 10 0 DEAERO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088541004 185255694 /nfs/dbraw/zinc/25/56/94/185255694.db2.gz KQHJLMZWLLCKLE-RYUDHWBXSA-N 1 0 302.440 2.444 10 0 DEAERO CC[C@@H](C)N(C)S(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088543716 185256568 /nfs/dbraw/zinc/25/65/68/185256568.db2.gz YRPNWLTWNVPCAE-GFCCVEGCSA-N 1 0 302.440 2.444 10 0 DEAERO CC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(=O)(=O)CCCOC ZINC000081986152 192348842 /nfs/dbraw/zinc/34/88/42/192348842.db2.gz NKAXFHLFHCLJNL-GOEBONIOSA-N 1 0 313.463 2.485 10 0 DEAERO CCC[NH2+][C@H](c1ccccc1COC)[C@H]1CCS(=O)(=O)C1 ZINC000088556547 185258030 /nfs/dbraw/zinc/25/80/30/185258030.db2.gz STBYYLSAGZKCHY-HOCLYGCPSA-N 1 0 311.447 2.308 10 0 DEAERO C[C@H]([NH3+])c1cc(Br)ccc1OCc1ncnn1C ZINC000088571758 185258173 /nfs/dbraw/zinc/25/81/73/185258173.db2.gz FNYNOVXKWLMSOM-QMMMGPOBSA-N 1 0 311.183 2.176 10 0 DEAERO CC[NH2+][C@H](Cc1ncnn1C)Cc1ccc(Br)cc1 ZINC000088581727 185258504 /nfs/dbraw/zinc/25/85/04/185258504.db2.gz JYVKGHWOOXXEEA-ZDUSSCGKSA-N 1 0 323.238 2.341 10 0 DEAERO CCn1ncnc1C[C@@H](Cc1cccc(Br)c1)[NH2+]C ZINC000088610795 185260061 /nfs/dbraw/zinc/26/00/61/185260061.db2.gz FHLLNSIVWRGURG-CYBMUJFWSA-N 1 0 323.238 2.434 10 0 DEAERO CN(C(=O)c1sc2ccc(F)cc2c1N)C1CC[NH2+]CC1 ZINC000088641320 185260799 /nfs/dbraw/zinc/26/07/99/185260799.db2.gz RHTJWBHQFLSFNA-UHFFFAOYSA-N 1 0 307.394 2.447 10 0 DEAERO CC[NH2+][C@H](C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2C)C1 ZINC000088714737 185262966 /nfs/dbraw/zinc/26/29/66/185262966.db2.gz GIAVZJXBBYBWIF-HUUCEWRRSA-N 1 0 310.463 2.394 10 0 DEAERO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000088704647 185262611 /nfs/dbraw/zinc/26/26/11/185262611.db2.gz JEWOBFPBHHBWCK-VXGBXAGGSA-N 1 0 305.447 2.380 10 0 DEAERO CN1C(=O)C[C@@H]([NH2+][C@H](Cc2cccs2)c2cccs2)C1=O ZINC000088774513 185265312 /nfs/dbraw/zinc/26/53/12/185265312.db2.gz MSJYQPAKAPNKPO-VXGBXAGGSA-N 1 0 320.439 2.440 10 0 DEAERO COCC[NH2+]CCCc1nnc(Cc2ccccc2F)s1 ZINC000088813369 185266459 /nfs/dbraw/zinc/26/64/59/185266459.db2.gz HUJCYNOIEZVRQT-UHFFFAOYSA-N 1 0 309.410 2.437 10 0 DEAERO CC(C)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000088836754 185266864 /nfs/dbraw/zinc/26/68/64/185266864.db2.gz OZJSBLDVQCFLBC-CYBMUJFWSA-N 1 0 300.399 2.094 10 0 DEAERO CCC[NH2+]CC1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC000088716908 185263087 /nfs/dbraw/zinc/26/30/87/185263087.db2.gz CQNDKVMPQHKRAH-UHFFFAOYSA-N 1 0 310.463 2.395 10 0 DEAERO CC(C)C[C@](C)(O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000090270325 185288677 /nfs/dbraw/zinc/28/86/77/185288677.db2.gz HWVDTGMZWVAVBL-ZBFHGGJFSA-N 1 0 311.447 2.292 10 0 DEAERO OC[C@@H](O)C[NH2+][C@@H](c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000090282401 185289352 /nfs/dbraw/zinc/28/93/52/185289352.db2.gz KGTOJQOFQJKELX-JKSUJKDBSA-N 1 0 307.777 2.078 10 0 DEAERO C[C@H](c1ccc(Br)cc1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306484 185290206 /nfs/dbraw/zinc/29/02/06/185290206.db2.gz KOEJJRJYSXMOHS-GFCCVEGCSA-N 1 0 324.266 2.100 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1Cc1nc(-c2cccs2)no1 ZINC000090337436 185291926 /nfs/dbraw/zinc/29/19/26/185291926.db2.gz SKGUOASUYSUUCA-GHMZBOCLSA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1 ZINC000090337859 185291968 /nfs/dbraw/zinc/29/19/68/185291968.db2.gz UWENSBTZPNRWBO-FZMZJTMJSA-N 1 0 307.825 2.208 10 0 DEAERO CCCSc1nsc(NC(=O)CS[C@H](C)C[NH3+])n1 ZINC000090342182 185292082 /nfs/dbraw/zinc/29/20/82/185292082.db2.gz ARYWSZIZRIDCTO-SSDOTTSWSA-N 1 0 306.482 2.059 10 0 DEAERO C[C@H]([NH3+])CCSCC(=O)NCCc1cccc(Cl)c1 ZINC000090346612 185292219 /nfs/dbraw/zinc/29/22/19/185292219.db2.gz ZXGABNJQYHHDRE-NSHDSACASA-N 1 0 300.855 2.469 10 0 DEAERO CC[C@@H]([NH3+])CSCC(=O)Nc1ccc(Br)cn1 ZINC000090356715 185292431 /nfs/dbraw/zinc/29/24/31/185292431.db2.gz JLQIYESMTKZLAH-SECBINFHSA-N 1 0 318.240 2.253 10 0 DEAERO C[C@H](NC(=O)[C@H]1COC[C@@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000090383680 185293821 /nfs/dbraw/zinc/29/38/21/185293821.db2.gz XHWVUVWNIMSSPX-DXBFQKDVSA-N 1 0 303.189 2.144 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)N(Cc1cccc(Cl)c1)C(C)C ZINC000090435001 185296232 /nfs/dbraw/zinc/29/62/32/185296232.db2.gz QKZPMXMQCMRHLV-CABCVRRESA-N 1 0 310.825 2.311 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000090433006 185296295 /nfs/dbraw/zinc/29/62/95/185296295.db2.gz YXPFUKYYRIFPKT-GXSJLCMTSA-N 1 0 323.443 2.191 10 0 DEAERO CC(C)Oc1ccc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])cc1Cl ZINC000090588732 185305505 /nfs/dbraw/zinc/30/55/05/185305505.db2.gz RGKOLTABLDODMJ-HIFRSBDPSA-N 1 0 312.797 2.430 10 0 DEAERO C[C@]1(c2nnc3c(Cl)cc(C(F)(F)F)cn32)COC[C@@H]1[NH3+] ZINC000090573051 185304437 /nfs/dbraw/zinc/30/44/37/185304437.db2.gz SXZCFRIPFSVOCX-KWQFWETISA-N 1 0 320.702 2.017 10 0 DEAERO Brc1cccn2nc(NCC[C@@H]3CCC[NH2+]3)nc12 ZINC000166874384 197700266 /nfs/dbraw/zinc/70/02/66/197700266.db2.gz ABUZTKMTLNVNFG-VIFPVBQESA-N 1 0 310.199 2.046 10 0 DEAERO C[C@H]([NH3+])CCS(=O)(=O)Cc1cc(Br)ccc1F ZINC000166893391 197700350 /nfs/dbraw/zinc/70/03/50/197700350.db2.gz QETZNNUZHVSNEJ-QMMMGPOBSA-N 1 0 324.215 2.240 10 0 DEAERO Cc1cc(C(=O)N2CCCSC[C@@H]2C[NH+]2CCCC2)no1 ZINC000090700852 185310608 /nfs/dbraw/zinc/31/06/08/185310608.db2.gz RTCLLVDFFGSVQD-ZDUSSCGKSA-N 1 0 309.435 2.027 10 0 DEAERO COC(C[C@H](C[NH3+])Nc1cccc(Br)c1)OC ZINC000090625447 185307256 /nfs/dbraw/zinc/30/72/56/185307256.db2.gz SZCCISSSJWPOEO-LLVKDONJSA-N 1 0 303.200 2.197 10 0 DEAERO CCC[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1S(=O)(=O)CC ZINC000092388571 185315224 /nfs/dbraw/zinc/31/52/24/185315224.db2.gz JDSMTJLKZFMYEB-CVEARBPZSA-N 1 0 311.447 2.485 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](Sc1nnc(C)n1C)CC2 ZINC000092389963 185315703 /nfs/dbraw/zinc/31/57/03/185315703.db2.gz MNMVNYMVEUWXGV-UONOGXRCSA-N 1 0 304.419 2.239 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000092400101 185316003 /nfs/dbraw/zinc/31/60/03/185316003.db2.gz PSWJTOJQFBJLHY-AAEUAGOBSA-N 1 0 322.232 2.340 10 0 DEAERO CCNc1cc[nH+]c(CN2CCN(c3nccs3)CC2)c1 ZINC000092418006 185316999 /nfs/dbraw/zinc/31/69/99/185316999.db2.gz IWKBDTCLSDMMQN-UHFFFAOYSA-N 1 0 303.435 2.292 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000247309995 299093529 /nfs/dbraw/zinc/09/35/29/299093529.db2.gz GZYVZRPKFGPNLR-ARFHVFGLSA-N 1 0 309.454 2.214 10 0 DEAERO CCNc1ncc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000092674189 185332873 /nfs/dbraw/zinc/33/28/73/185332873.db2.gz QECIJVXFOFXBEQ-GFCCVEGCSA-N 1 0 310.829 2.333 10 0 DEAERO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)c1ccsc1 ZINC000262036132 282248754 /nfs/dbraw/zinc/24/87/54/282248754.db2.gz XZXPRSJQZINOFN-WCXIOVBPSA-N 1 0 323.506 2.098 10 0 DEAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1cc(F)c(Cl)cc1F ZINC000167632058 197711753 /nfs/dbraw/zinc/71/17/53/197711753.db2.gz HQGPRYPERKPKBR-RBDZCENOSA-N 1 0 300.736 2.441 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(c2cc3c(cc2Cl)C(=O)C(=O)N3)C1 ZINC000092772767 185339806 /nfs/dbraw/zinc/33/98/06/185339806.db2.gz GADWQVICJGJQRH-SECBINFHSA-N 1 0 307.781 2.005 10 0 DEAERO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)ccc1F ZINC000092825428 185344327 /nfs/dbraw/zinc/34/43/27/185344327.db2.gz TUTZKGVDCUKMKV-PWSUYJOCSA-N 1 0 301.383 2.062 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC2C(C)(C)C2(C)C)s1 ZINC000092833224 185344840 /nfs/dbraw/zinc/34/48/40/185344840.db2.gz VGNJNLZPLNHQGM-UHFFFAOYSA-N 1 0 302.465 2.180 10 0 DEAERO CCc1ccc(C[NH3+])cc1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833325 185345037 /nfs/dbraw/zinc/34/50/37/185345037.db2.gz UGVCDPFQGKIFMG-UHFFFAOYSA-N 1 0 310.463 2.421 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)no1 ZINC000442108179 529712694 /nfs/dbraw/zinc/71/26/94/529712694.db2.gz AOIHUCTXUODUOR-NEPJUHHUSA-N 1 0 323.441 2.039 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](Sc1nc(C)cc(=O)[nH]1)C2 ZINC000092860561 185347240 /nfs/dbraw/zinc/34/72/40/185347240.db2.gz VHLXWLVACGCFJW-GXTWGEPZSA-N 1 0 303.387 2.216 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2nnc(-c3ccccc3)n2C)C1 ZINC000187898925 282294307 /nfs/dbraw/zinc/29/43/07/282294307.db2.gz ULFMXWMLGQHMGP-KDOFPFPSSA-N 1 0 314.433 2.465 10 0 DEAERO OC[C@@]1(Cc2ccc(Br)cc2F)CCC[NH2+]C1 ZINC000097153725 185416603 /nfs/dbraw/zinc/41/66/03/185416603.db2.gz ZGNDCJQKZQVHSW-CYBMUJFWSA-N 1 0 302.187 2.493 10 0 DEAERO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000190435090 282320403 /nfs/dbraw/zinc/32/04/03/282320403.db2.gz QNVZBYMRZGXJKE-ONGXEEELSA-N 1 0 318.211 2.116 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1 ZINC000614226143 362322628 /nfs/dbraw/zinc/32/26/28/362322628.db2.gz ZTOLOZHMORGNDM-UHFFFAOYSA-N 1 0 315.417 2.028 10 0 DEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccncc3Br)C[C@@H]2C1 ZINC000625473028 365800940 /nfs/dbraw/zinc/80/09/40/365800940.db2.gz UFOJIJZDJWOEKA-WCFLWFBJSA-N 1 0 311.223 2.437 10 0 DEAERO COc1cc(F)c(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OC ZINC000107379672 185479304 /nfs/dbraw/zinc/47/93/04/185479304.db2.gz VFGMKCYUFPLBMX-SNVBAGLBSA-N 1 0 311.357 2.011 10 0 DEAERO OC1CC(C[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000228477456 282370869 /nfs/dbraw/zinc/37/08/69/282370869.db2.gz CSOXGRSZRYWQRS-UHFFFAOYSA-N 1 0 312.207 2.245 10 0 DEAERO Cc1ccc(NC(=O)COC2(C)C[NH2+]C2)cc1Br ZINC000098060720 539435952 /nfs/dbraw/zinc/43/59/52/539435952.db2.gz FCKVUYOJQGGZRP-UHFFFAOYSA-N 1 0 313.195 2.075 10 0 DEAERO CCCOc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)NC(N)=O ZINC000181720453 199343433 /nfs/dbraw/zinc/34/34/33/199343433.db2.gz MTHRDLNUDMOEOU-AWEZNQCLSA-N 1 0 321.421 2.347 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000245511153 282394284 /nfs/dbraw/zinc/39/42/84/282394284.db2.gz XQHABBHFPDSIIJ-LJIZCISZSA-N 1 0 311.470 2.314 10 0 DEAERO Cc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1 ZINC000245540528 282396101 /nfs/dbraw/zinc/39/61/01/282396101.db2.gz IKFCPLQSWDBKHI-NUJGCVRESA-N 1 0 307.434 2.218 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(Cl)cc2Cl)C[C@@H]1C ZINC000245555991 282396843 /nfs/dbraw/zinc/39/68/43/282396843.db2.gz CZAQFHWZWGIBEG-QWRGUYRKSA-N 1 0 318.248 2.275 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000333790041 282966703 /nfs/dbraw/zinc/96/67/03/282966703.db2.gz MIKFOBWRHMXMAE-FBUXBERBSA-N 1 0 307.825 2.493 10 0 DEAERO CNc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000286772982 219158886 /nfs/dbraw/zinc/15/88/86/219158886.db2.gz NRFRZTVQMYGHMK-KRWDZBQOSA-N 1 0 324.428 2.470 10 0 DEAERO [NH3+]CCc1ccc(N2CCN(CC(F)(F)F)CC2)c(F)c1 ZINC000111482462 185607524 /nfs/dbraw/zinc/60/75/24/185607524.db2.gz BNBWXZHRLQZORQ-UHFFFAOYSA-N 1 0 305.319 2.011 10 0 DEAERO Cc1cc(CC[NH3+])ccc1N1CCN(CC(F)(F)F)CC1 ZINC000111482454 185608006 /nfs/dbraw/zinc/60/80/06/185608006.db2.gz YNZWKAZFNRIASN-UHFFFAOYSA-N 1 0 301.356 2.181 10 0 DEAERO CCC(C)(CC)C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000134902250 539512096 /nfs/dbraw/zinc/51/20/96/539512096.db2.gz GSRAKZMIJQOBMR-KRWDZBQOSA-N 1 0 318.461 2.348 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2nc(C3CCCC3)no2)C1 ZINC000136743036 539518458 /nfs/dbraw/zinc/51/84/58/539518458.db2.gz WQELVCJRNVJPPZ-CQSZACIVSA-N 1 0 320.437 2.260 10 0 DEAERO CC(C)C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000111719902 185631004 /nfs/dbraw/zinc/63/10/04/185631004.db2.gz IDDUENIHHYZHLD-ZDUSSCGKSA-N 1 0 316.492 2.394 10 0 DEAERO CCC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1F ZINC000111720533 185631431 /nfs/dbraw/zinc/63/14/31/185631431.db2.gz WNQLIZZWWVDGHD-ZDUSSCGKSA-N 1 0 314.426 2.369 10 0 DEAERO Cc1cncc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000153215541 539543447 /nfs/dbraw/zinc/54/34/47/539543447.db2.gz JISWHRCMIGBKKB-KRWDZBQOSA-N 1 0 312.417 2.492 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1CCN(CCc2ccccc2F)CC1 ZINC000121373260 185789353 /nfs/dbraw/zinc/78/93/53/185789353.db2.gz OAECKMFADWOKOQ-SFHVURJKSA-N 1 0 319.468 2.470 10 0 DEAERO CCN(CC)C(=O)CC[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000123919182 185856407 /nfs/dbraw/zinc/85/64/07/185856407.db2.gz RCALLNFLOBLWDC-CQSZACIVSA-N 1 0 314.495 2.279 10 0 DEAERO CCCS(=O)(=O)c1ccccc1N1CCC[C@@H](CC[NH3+])C1 ZINC000070074006 190855332 /nfs/dbraw/zinc/85/53/32/190855332.db2.gz MRUXXRQIADQWKO-AWEZNQCLSA-N 1 0 310.463 2.436 10 0 DEAERO C[NH2+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)s1 ZINC000070192557 190870906 /nfs/dbraw/zinc/87/09/06/190870906.db2.gz XATALZIGZBHONY-LBPRGKRZSA-N 1 0 302.465 2.209 10 0 DEAERO [NH3+]CC[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2)C1 ZINC000616672882 362907609 /nfs/dbraw/zinc/90/76/09/362907609.db2.gz MFTPSAZNPIQCNL-CQSZACIVSA-N 1 0 316.426 2.403 10 0 DEAERO CN(CCN1CC[NH2+]CC1)[C@H](c1ccccc1)C(F)(F)F ZINC000070397634 190886197 /nfs/dbraw/zinc/88/61/97/190886197.db2.gz HAPGMFFEPXRNKD-CQSZACIVSA-N 1 0 301.356 2.127 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](n2cccn2)C1 ZINC000616628394 362900643 /nfs/dbraw/zinc/90/06/43/362900643.db2.gz KOENEXANBUNERA-CQSZACIVSA-N 1 0 308.426 2.435 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](n2ccnc2)CC1 ZINC000616626597 362900713 /nfs/dbraw/zinc/90/07/13/362900713.db2.gz ATLYWKDHZVUDTP-CQSZACIVSA-N 1 0 308.426 2.435 10 0 DEAERO CCc1csc([C@@H]2CCCN(C(=O)NC[C@H]3CC[NH2+]C3)C2)n1 ZINC000333830141 282975563 /nfs/dbraw/zinc/97/55/63/282975563.db2.gz MJUDHIXUHWSVMZ-QWHCGFSZSA-N 1 0 322.478 2.204 10 0 DEAERO CCc1nn(C)cc1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000179945256 539643185 /nfs/dbraw/zinc/64/31/85/539643185.db2.gz ROXUELFFWBLZLN-AWEZNQCLSA-N 1 0 320.481 2.355 10 0 DEAERO [NH3+][C@@H]1CCN(c2nccn3nc(-c4cc(F)cc(F)c4)cc23)C1 ZINC000070459347 190897836 /nfs/dbraw/zinc/89/78/36/190897836.db2.gz ADEDGMDECBOLKJ-CYBMUJFWSA-N 1 0 315.327 2.212 10 0 DEAERO CC[NH2+][C@@](C)(CO)CCCCSc1nnc2ccccn21 ZINC000070520046 190903504 /nfs/dbraw/zinc/90/35/04/190903504.db2.gz MIBKGIGBHHHNGN-OAHLLOKOSA-N 1 0 308.451 2.352 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183226047 539660545 /nfs/dbraw/zinc/66/05/45/539660545.db2.gz SPIBJLYAJNUMLC-MQIPJXDCSA-N 1 0 304.390 2.373 10 0 DEAERO c1cc2cnccc2c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000183380406 539662309 /nfs/dbraw/zinc/66/23/09/539662309.db2.gz JYSPSSWCSOJEOJ-INIZCTEOSA-N 1 0 311.429 2.389 10 0 DEAERO Cc1cnc([C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C2CC2)s1 ZINC000185306381 539671214 /nfs/dbraw/zinc/67/12/14/539671214.db2.gz RFJAZWQZDGZHTQ-JOYOIKCWSA-N 1 0 302.465 2.173 10 0 DEAERO C[C@](C[NH3+])(NC(=O)c1cccc(F)c1Br)C1CC1 ZINC000130305555 185954266 /nfs/dbraw/zinc/95/42/66/185954266.db2.gz FUXDOKZREMUVMP-CYBMUJFWSA-N 1 0 315.186 2.445 10 0 DEAERO CCN(Cc1ccc(OC(F)F)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000071313187 190956181 /nfs/dbraw/zinc/95/61/81/190956181.db2.gz ZSDAWLPVQBJHFN-LBPRGKRZSA-N 1 0 300.349 2.480 10 0 DEAERO Cn1c2ccc(C[NH2+][C@H]3CC[C@H](CO)CC3)cc2sc1=O ZINC000192627261 539709121 /nfs/dbraw/zinc/70/91/21/539709121.db2.gz ZZUPMWNFFONDSU-BJHJDKERSA-N 1 0 306.431 2.241 10 0 DEAERO CCCc1ccc(S(=O)(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000071339181 190960210 /nfs/dbraw/zinc/96/02/10/190960210.db2.gz ZERLCIJWDLDXOA-BBRMVZONSA-N 1 0 310.463 2.306 10 0 DEAERO CC(C)(C)[C@@H]1CN(CCCS(C)(=O)=O)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071347943 190960380 /nfs/dbraw/zinc/96/03/80/190960380.db2.gz ZPLLZWMWZVAFOB-KBPBESRZSA-N 1 0 318.527 2.156 10 0 DEAERO C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC([NH+](C)C)CC1 ZINC000193822296 539715192 /nfs/dbraw/zinc/71/51/92/539715192.db2.gz PEWNFXQPZWPQGL-NSHDSACASA-N 1 0 311.376 2.318 10 0 DEAERO Cc1ccccc1CNC(=O)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000193819506 539715446 /nfs/dbraw/zinc/71/54/46/539715446.db2.gz YZKJIFVUJJDGLE-HNNXBMFYSA-N 1 0 303.450 2.026 10 0 DEAERO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC([NH+](C)C)CC1 ZINC000193822363 539715492 /nfs/dbraw/zinc/71/54/92/539715492.db2.gz OMQKCDURNDSCTI-LLVKDONJSA-N 1 0 311.376 2.318 10 0 DEAERO Cc1c(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)ccn1C ZINC000195282388 539720833 /nfs/dbraw/zinc/72/08/33/539720833.db2.gz QELBSBYXXZEKHR-OAHLLOKOSA-N 1 0 319.449 2.097 10 0 DEAERO CCN(C)C(=O)COc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000071399462 190967154 /nfs/dbraw/zinc/96/71/54/190967154.db2.gz SJFLXUNXTIIENG-UHFFFAOYSA-N 1 0 304.312 2.064 10 0 DEAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)c2C)[C@H](C)C1 ZINC000195265652 539721437 /nfs/dbraw/zinc/72/14/37/539721437.db2.gz YHVZWZMAAIBREG-RHSMWYFYSA-N 1 0 321.465 2.200 10 0 DEAERO C[NH2+][C@H](c1cc(Br)sc1C)[C@@H]1COCCO1 ZINC000084006521 192395252 /nfs/dbraw/zinc/39/52/52/192395252.db2.gz MGYPHJPEAQOCON-GXSJLCMTSA-N 1 0 306.225 2.495 10 0 DEAERO COc1ccc([S@](=O)[C@H]2COc3ccccc3[C@@H]2[NH3+])cc1 ZINC000084002457 192395322 /nfs/dbraw/zinc/39/53/22/192395322.db2.gz MHCPAAFUAXCHCV-CKJXQJPGSA-N 1 0 303.383 2.264 10 0 DEAERO COc1cccc([S@@](=O)[C@H]2COc3ccccc3[C@@H]2[NH3+])c1 ZINC000084003184 192395378 /nfs/dbraw/zinc/39/53/78/192395378.db2.gz BHEGFDGZLWPHIV-QYWGDWMGSA-N 1 0 303.383 2.264 10 0 DEAERO CCCC[S@](=O)[C@@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000084038482 192396173 /nfs/dbraw/zinc/39/61/73/192396173.db2.gz FSLUTAXUVNQYIR-LRDNONRASA-N 1 0 303.468 2.199 10 0 DEAERO C[NH2+][C@@H](C[S@](=O)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000084052359 192398364 /nfs/dbraw/zinc/39/83/64/192398364.db2.gz PBHXRHTVWKUVEY-LHSJRXKWSA-N 1 0 309.431 2.410 10 0 DEAERO C=Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000219395938 539727490 /nfs/dbraw/zinc/72/74/90/539727490.db2.gz GQNRHZNSSWCAKD-CYBMUJFWSA-N 1 0 306.410 2.330 10 0 DEAERO CN(C(=O)c1ccc(Br)cn1)[C@@H]1CCC[NH2+]CC1 ZINC000231491442 539734982 /nfs/dbraw/zinc/73/49/82/539734982.db2.gz IBUZIIVFYDIENK-LLVKDONJSA-N 1 0 312.211 2.058 10 0 DEAERO CCOC(=O)Cn1c2ccc(F)cc2nc1[C@H]1CCC[NH2+]C1 ZINC000071665840 191001194 /nfs/dbraw/zinc/00/11/94/191001194.db2.gz KGRHLKBWRXQZFC-NSHDSACASA-N 1 0 305.353 2.206 10 0 DEAERO C[C@@H](C[C@@H]1COCC[NH2+]1)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000133616696 186000039 /nfs/dbraw/zinc/00/00/39/186000039.db2.gz FERRJWXCPXRHJJ-GXSJLCMTSA-N 1 0 309.797 2.014 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1sccc1C)N1CCC(NC(C)=O)CC1 ZINC000133698915 186008239 /nfs/dbraw/zinc/00/82/39/186008239.db2.gz ODPBNGRACSQRIF-HUUCEWRRSA-N 1 0 309.479 2.435 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](OCCC(C)C)C2)C1 ZINC000246153885 539761577 /nfs/dbraw/zinc/76/15/77/539761577.db2.gz PPNLPXFPNDDDJN-JKSUJKDBSA-N 1 0 311.470 2.317 10 0 DEAERO CCCN(C)S(=O)(=O)c1cc(C[NH2+]C(C)C)cc(F)c1F ZINC000138453534 186017262 /nfs/dbraw/zinc/01/72/62/186017262.db2.gz QIQBDFRJWQWCLU-UHFFFAOYSA-N 1 0 320.405 2.493 10 0 DEAERO CCCN(CC)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138447407 186017306 /nfs/dbraw/zinc/01/73/06/186017306.db2.gz XGFURCXTPVKTJW-UHFFFAOYSA-N 1 0 306.378 2.105 10 0 DEAERO CCC1CCN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)CC1 ZINC000138696223 186018173 /nfs/dbraw/zinc/01/81/73/186018173.db2.gz QTBSCTYWNWGMOU-UHFFFAOYSA-N 1 0 318.389 2.234 10 0 DEAERO CC(C)C[C@H](C[NH3+])Cc1nc2c(cccc2S(C)(=O)=O)[nH]1 ZINC000138134897 186013956 /nfs/dbraw/zinc/01/39/56/186013956.db2.gz PHYXOFSPBMXCIK-NSHDSACASA-N 1 0 309.435 2.130 10 0 DEAERO CCc1cc(C[C@@H]([NH3+])c2ncccc2Br)n(C)n1 ZINC000140322358 186025978 /nfs/dbraw/zinc/02/59/78/186025978.db2.gz HHBMFRHJFQDFNH-GFCCVEGCSA-N 1 0 309.211 2.383 10 0 DEAERO COc1nccnc1-c1cc(NC2CC[NH2+]CC2)nc2[nH]ccc21 ZINC000072165911 191065040 /nfs/dbraw/zinc/06/50/40/191065040.db2.gz PMZDSBRKOXMHAB-UHFFFAOYSA-N 1 0 324.388 2.192 10 0 DEAERO CCC[C@H]1N[C@@H](c2cccs2)N(C2CC[NH+](C)CC2)C1=O ZINC000141176601 186029188 /nfs/dbraw/zinc/02/91/88/186029188.db2.gz RVLGCZMRKVNYLT-UKRRQHHQSA-N 1 0 307.463 2.441 10 0 DEAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccncc1Br ZINC000147545179 186040247 /nfs/dbraw/zinc/04/02/47/186040247.db2.gz BQBZWZPWNAKOHB-VIFPVBQESA-N 1 0 300.200 2.404 10 0 DEAERO CNc1ccc(Cl)c(C(=O)NCC2([NH+](C)C)CCCC2)n1 ZINC000147425596 186040315 /nfs/dbraw/zinc/04/03/15/186040315.db2.gz MFSIFJPGTDDHJC-UHFFFAOYSA-N 1 0 310.829 2.381 10 0 DEAERO CCC(CC)N(C)[C@]1(C[NH3+])CCS(=O)(=O)c2ccccc21 ZINC000147646318 186040602 /nfs/dbraw/zinc/04/06/02/186040602.db2.gz APAZCQRZVFGQNG-INIZCTEOSA-N 1 0 310.463 2.138 10 0 DEAERO CC[NH2+][C@H](c1cncs1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000147685218 186041395 /nfs/dbraw/zinc/04/13/95/186041395.db2.gz FUTORUNVHWNQSQ-GVXVVHGQSA-N 1 0 302.465 2.397 10 0 DEAERO C[C@H](CCNC(=O)NC[C@H]1CCCC[C@H]1O)[NH+]1CCCCC1 ZINC000248507007 539774057 /nfs/dbraw/zinc/77/40/57/539774057.db2.gz XCLPDAAORIXYSY-BZUAXINKSA-N 1 0 311.470 2.101 10 0 DEAERO CCc1cc(Br)ccc1NC(=O)[C@@]1([NH3+])CCOC1 ZINC000148169821 186043169 /nfs/dbraw/zinc/04/31/69/186043169.db2.gz PIASBDSLXDZSTH-CYBMUJFWSA-N 1 0 313.195 2.068 10 0 DEAERO C[C@@H]1OCC[C@]12C[NH+]=C(N)N2c1ccc(Br)cc1 ZINC000148449750 186044216 /nfs/dbraw/zinc/04/42/16/186044216.db2.gz FFIUWWMLFVRFBX-ZANVPECISA-N 1 0 310.195 2.131 10 0 DEAERO C[C@@H]1OCC[C@@]12C[NH+]=C(N)N2c1cccc(Br)c1 ZINC000148450175 186044567 /nfs/dbraw/zinc/04/45/67/186044567.db2.gz BCUOVOIOVQUHGG-TVQRCGJNSA-N 1 0 310.195 2.131 10 0 DEAERO Cc1c(C[NH3+])cc(Cl)cc1S(=O)(=O)N(C)C1CCC1 ZINC000144663651 186035841 /nfs/dbraw/zinc/03/58/41/186035841.db2.gz CPPYUTNSJUVPGB-UHFFFAOYSA-N 1 0 302.827 2.280 10 0 DEAERO C[C@H](CN1C(=O)[C@H](C)N[C@@H]1c1cccs1)[NH+]1CCCCC1 ZINC000145703847 186037619 /nfs/dbraw/zinc/03/76/19/186037619.db2.gz OAVADUPRFAYWHP-IPYPFGDCSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@@H](CS(=O)(=O)N[C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000149501883 186050388 /nfs/dbraw/zinc/05/03/88/186050388.db2.gz DCKIVJPLPGCBRI-BPUTZDHNSA-N 1 0 310.463 2.370 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000149589714 186051831 /nfs/dbraw/zinc/05/18/31/186051831.db2.gz QFDMEQPWRGLJDT-JTQLQIEISA-N 1 0 307.785 2.234 10 0 DEAERO CCCNc1nc(Cl)nc(N2CCC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000149825693 186053261 /nfs/dbraw/zinc/05/32/61/186053261.db2.gz JCYRQCQIXOAJSQ-LLVKDONJSA-N 1 0 310.833 2.021 10 0 DEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC[C@H]2CCCS2)c1 ZINC000150028431 186054210 /nfs/dbraw/zinc/05/42/10/186054210.db2.gz OSKXHAVNBKHPPC-WCQYABFASA-N 1 0 314.476 2.141 10 0 DEAERO CC[NH2+][C@@H](c1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000150147611 186054928 /nfs/dbraw/zinc/05/49/28/186054928.db2.gz FIDPZPIVEIPWIZ-FZMZJTMJSA-N 1 0 317.838 2.434 10 0 DEAERO [NH3+]Cc1nc([C@H]2CCS(=O)(=O)C2)sc1-c1ccccc1 ZINC000150325504 186056468 /nfs/dbraw/zinc/05/64/68/186056468.db2.gz HZSOQBUHYJXGNY-NSHDSACASA-N 1 0 308.428 2.171 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000249763308 539782067 /nfs/dbraw/zinc/78/20/67/539782067.db2.gz XWORIDKGLKDIKV-ZACQAIPSSA-N 1 0 302.418 2.365 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155704204 186104834 /nfs/dbraw/zinc/10/48/34/186104834.db2.gz UUNBJHLDKNLTNT-GDZNZVCISA-N 1 0 320.481 2.060 10 0 DEAERO C[NH2+]CCCN(C)C(=O)c1cccc(F)c1Br ZINC000155725021 186106759 /nfs/dbraw/zinc/10/67/59/186106759.db2.gz GNMLPLHZLBVGBN-UHFFFAOYSA-N 1 0 303.175 2.270 10 0 DEAERO CC(C)[NH2+]Cc1cc(S(=O)(=O)NC2CC(C)C2)ccc1F ZINC000163992238 186145231 /nfs/dbraw/zinc/14/52/31/186145231.db2.gz ROYXYHPSNAYBOO-UHFFFAOYSA-N 1 0 314.426 2.401 10 0 DEAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)Cc1c(F)cccc1F ZINC000164006244 186145294 /nfs/dbraw/zinc/14/52/94/186145294.db2.gz NIPMQKFKPVZVHW-QWRGUYRKSA-N 1 0 305.390 2.309 10 0 DEAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000164070667 186147498 /nfs/dbraw/zinc/14/74/98/186147498.db2.gz VAJUUZRSBVHCEL-CHWSQXEVSA-N 1 0 306.303 2.436 10 0 DEAERO C[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000164070792 186147675 /nfs/dbraw/zinc/14/76/75/186147675.db2.gz VAJUUZRSBVHCEL-QWHCGFSZSA-N 1 0 306.303 2.436 10 0 DEAERO C[C@H]([NH3+])CN(C)c1ncc(Br)cc1Br ZINC000164079289 186148264 /nfs/dbraw/zinc/14/82/64/186148264.db2.gz NLTVVYCGVWNBPL-LURJTMIESA-N 1 0 323.032 2.390 10 0 DEAERO Cc1cc(C(=O)c2c(Cl)cnn2CC[NH+](C)C)ccc1N ZINC000164120773 186149391 /nfs/dbraw/zinc/14/93/91/186149391.db2.gz RAKZSEYOECZHOC-UHFFFAOYSA-N 1 0 306.797 2.220 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(Cl)c1-n1cccn1)C1C[NH2+]C1 ZINC000164121884 186149439 /nfs/dbraw/zinc/14/94/39/186149439.db2.gz DXIUUBQKUJGCBE-SNVBAGLBSA-N 1 0 304.781 2.320 10 0 DEAERO Cc1cc(C)c(NS(=O)(=O)CCC[NH3+])c(Br)c1 ZINC000159621016 186131515 /nfs/dbraw/zinc/13/15/15/186131515.db2.gz QHKXYSHTHFPSQI-UHFFFAOYSA-N 1 0 321.240 2.156 10 0 DEAERO COc1ccc(C[NH2+]C[C@H](C)[S@](C)=O)cc1OC(F)F ZINC000159644548 186132392 /nfs/dbraw/zinc/13/23/92/186132392.db2.gz XYTHRWYYNHRCEQ-GWNMQOMSSA-N 1 0 307.362 2.153 10 0 DEAERO COC(=O)C1(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)CCC(C)CC1 ZINC000262640762 290901308 /nfs/dbraw/zinc/90/13/08/290901308.db2.gz QLUCCRWDTPHTJQ-TXKKKEFDSA-N 1 0 324.465 2.250 10 0 DEAERO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1cccc(Br)c1 ZINC000163931064 186142690 /nfs/dbraw/zinc/14/26/90/186142690.db2.gz XZDXOOZNSYIZLC-NXEZZACHSA-N 1 0 311.223 2.482 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccccc2Br)C1 ZINC000171508454 186170568 /nfs/dbraw/zinc/17/05/68/186170568.db2.gz MNOPJNOSLVGJDA-LBPRGKRZSA-N 1 0 311.223 2.154 10 0 DEAERO COC[C@H](C)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000171443636 186161105 /nfs/dbraw/zinc/16/11/05/186161105.db2.gz VBPAUZIPHFWEKE-AWEZNQCLSA-N 1 0 304.434 2.222 10 0 DEAERO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)[C@H]1CCOC1 ZINC000177853320 186194242 /nfs/dbraw/zinc/19/42/42/186194242.db2.gz OKTXOEJSAUETMN-HOCLYGCPSA-N 1 0 302.418 2.306 10 0 DEAERO Cc1cccc(CNC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)c1 ZINC000188020790 186244912 /nfs/dbraw/zinc/24/49/12/186244912.db2.gz YAOUZNVINIJVRE-YJBOKZPZSA-N 1 0 304.434 2.094 10 0 DEAERO CN(C)c1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000186052741 186235722 /nfs/dbraw/zinc/23/57/22/186235722.db2.gz DPJBYKIZAPEMPF-CQSZACIVSA-N 1 0 324.428 2.221 10 0 DEAERO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187987351 186240143 /nfs/dbraw/zinc/24/01/43/186240143.db2.gz OTZWXAGASLCMRX-KXBFYZLASA-N 1 0 318.461 2.436 10 0 DEAERO CCn1nccc1CC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000253396357 186304993 /nfs/dbraw/zinc/30/49/93/186304993.db2.gz NWPKKTRWXIBBBQ-SJORKVTESA-N 1 0 303.381 2.393 10 0 DEAERO c1ccc(CN2CCSC[C@H]2C[NH2+][C@@H]2CCCOC2)cc1 ZINC000277070162 539806662 /nfs/dbraw/zinc/80/66/62/539806662.db2.gz IUNUSHLPPWTQNY-IAGOWNOFSA-N 1 0 306.475 2.373 10 0 DEAERO C[NH+]1CCC(N2CCOC[C@H]2c2nc(C(C)(C)C)co2)CC1 ZINC000072322163 191122376 /nfs/dbraw/zinc/12/23/76/191122376.db2.gz NQYXEVJYUXEVHN-AWEZNQCLSA-N 1 0 307.438 2.440 10 0 DEAERO C[N@H+](Cc1cc(F)cc(Br)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038227 366017602 /nfs/dbraw/zinc/01/76/02/366017602.db2.gz YSPRYNNNSBKHMO-WVSHTKLVSA-N 1 0 315.186 2.284 10 0 DEAERO COc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccn1 ZINC000287520355 186587517 /nfs/dbraw/zinc/58/75/17/186587517.db2.gz ZQRWNZFFKCDKRW-AGUYFDCRSA-N 1 0 304.394 2.227 10 0 DEAERO COC(=O)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000171893956 198002705 /nfs/dbraw/zinc/00/27/05/198002705.db2.gz UFGIOOJMFUESCY-CQSZACIVSA-N 1 0 317.389 2.094 10 0 DEAERO COc1ccc(C)cc1CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171899154 198004396 /nfs/dbraw/zinc/00/43/96/198004396.db2.gz GCYZWDPAMRDIBH-INIZCTEOSA-N 1 0 317.433 2.036 10 0 DEAERO O=C(NCCc1c[nH]c2ccccc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171897336 198004497 /nfs/dbraw/zinc/00/44/97/198004497.db2.gz RANWZDHZKDSNCI-HNNXBMFYSA-N 1 0 312.417 2.200 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(F)ccc1F ZINC000171908410 198006421 /nfs/dbraw/zinc/00/64/21/198006421.db2.gz SREGDUIGBZVEDH-GFCCVEGCSA-N 1 0 313.348 2.197 10 0 DEAERO O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000246322352 295827840 /nfs/dbraw/zinc/82/78/40/295827840.db2.gz KPSZDBNTWLLIFP-OQIJWPOYSA-N 1 0 323.440 2.371 10 0 DEAERO COc1cc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1C ZINC000172254020 198065827 /nfs/dbraw/zinc/06/58/27/198065827.db2.gz AMFVZUKEZLUHGB-GOEBONIOSA-N 1 0 317.433 2.382 10 0 DEAERO C[C@H]1CSCCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000172559247 198114862 /nfs/dbraw/zinc/11/48/62/198114862.db2.gz ZOFUZSKOKOWVDJ-HOCLYGCPSA-N 1 0 321.490 2.306 10 0 DEAERO Cc1nc2ccccc2n1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000172620394 198126002 /nfs/dbraw/zinc/12/60/02/198126002.db2.gz ZOKHPRNALUXJGG-UKRRQHHQSA-N 1 0 314.433 2.286 10 0 DEAERO C[C@@H]1CN(c2ncc(Br)cc2F)C[C@H]1[NH+](C)C ZINC000300419721 539860502 /nfs/dbraw/zinc/86/05/02/539860502.db2.gz MDWYEGDRRCOSJY-LDYMZIIASA-N 1 0 302.191 2.370 10 0 DEAERO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802774 198150867 /nfs/dbraw/zinc/15/08/67/198150867.db2.gz LZHXBDAAWPOZPU-TZMCWYRMSA-N 1 0 322.840 2.232 10 0 DEAERO O=C(CCN1CC[N@@H+]2CCCC[C@@H]2C1)N1CCc2ccccc21 ZINC000172800766 198151500 /nfs/dbraw/zinc/15/15/00/198151500.db2.gz KOIRPDBTHZWHDF-QGZVFWFLSA-N 1 0 313.445 2.136 10 0 DEAERO CC[NH+](CC)CCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000172911605 198166043 /nfs/dbraw/zinc/16/60/43/198166043.db2.gz DSXPIHXOAAJPRD-HUUCEWRRSA-N 1 0 318.417 2.019 10 0 DEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000324545576 539907958 /nfs/dbraw/zinc/90/79/58/539907958.db2.gz SUMSBLWBSVAWDB-RISCZKNCSA-N 1 0 301.814 2.076 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C[S@](C)=O)c2)CC[N@@H+]1C ZINC000172994291 198174669 /nfs/dbraw/zinc/17/46/69/198174669.db2.gz NZZCBILOMCYMSD-XNVILDLWSA-N 1 0 322.474 2.120 10 0 DEAERO CC(C)c1nc(CN2CCC[C@H](C(=O)N3CCCC3)C2)no1 ZINC000329437727 539921090 /nfs/dbraw/zinc/92/10/90/539921090.db2.gz KBXQTTXRIBPMHX-ZDUSSCGKSA-N 1 0 306.410 2.027 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCn3ccnc3C2)cc1 ZINC000329715368 539927928 /nfs/dbraw/zinc/92/79/28/539927928.db2.gz UWURMTNBJHNNDV-IUODEOHRSA-N 1 0 324.384 2.134 10 0 DEAERO CC(C)Nc1ncccc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173180434 198192788 /nfs/dbraw/zinc/19/27/88/198192788.db2.gz OHZZJEYZEXWZDT-KBPBESRZSA-N 1 0 304.438 2.457 10 0 DEAERO CCc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n(C)n1 ZINC000173206902 198195074 /nfs/dbraw/zinc/19/50/74/198195074.db2.gz QIKYHFUUTSPPLL-AGUYFDCRSA-N 1 0 305.426 2.119 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000173265187 198203836 /nfs/dbraw/zinc/20/38/36/198203836.db2.gz KETJCZJFJBDNDW-GXFFZTMASA-N 1 0 318.389 2.068 10 0 DEAERO CCc1cnc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000173398796 198209614 /nfs/dbraw/zinc/20/96/14/198209614.db2.gz SPWKBRVQBLVLBX-NEPJUHHUSA-N 1 0 310.467 2.330 10 0 DEAERO Cc1nc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)no1 ZINC000173624385 198233879 /nfs/dbraw/zinc/23/38/79/198233879.db2.gz KOTXDESDOPXTDQ-UHFFFAOYSA-N 1 0 314.345 2.116 10 0 DEAERO CCOC[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000073002557 191267834 /nfs/dbraw/zinc/26/78/34/191267834.db2.gz ANKYNQFIGXINTK-ROUUACIJSA-N 1 0 307.434 2.313 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H](O)c1ccccc1 ZINC000073010080 191268183 /nfs/dbraw/zinc/26/81/83/191268183.db2.gz XAYTZGYVRJWYHM-QZTJIDSGSA-N 1 0 312.413 2.009 10 0 DEAERO Cc1csc([C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C2CC2)n1 ZINC000173914436 198268303 /nfs/dbraw/zinc/26/83/03/198268303.db2.gz IOOWLHVFDRZKBR-CHWSQXEVSA-N 1 0 308.451 2.248 10 0 DEAERO COCC[NH2+]C[C@](C)(O)Cc1sccc1Br ZINC000085079625 192479021 /nfs/dbraw/zinc/47/90/21/192479021.db2.gz DPIUEOPRSUGNRF-LLVKDONJSA-N 1 0 308.241 2.040 10 0 DEAERO C[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000173826786 198257306 /nfs/dbraw/zinc/25/73/06/198257306.db2.gz COPGRAYMOZGOCO-KGLIPLIRSA-N 1 0 317.433 2.334 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc3ccccc32)C[C@H]1C ZINC000174349252 198323220 /nfs/dbraw/zinc/32/32/20/198323220.db2.gz APLATVCIDXJYDL-HUUCEWRRSA-N 1 0 312.413 2.367 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000333232563 282925243 /nfs/dbraw/zinc/92/52/43/282925243.db2.gz CIGPSTMZOSPTSK-QZKOUSHUSA-N 1 0 308.809 2.142 10 0 DEAERO O=C(N[C@H]1CCOc2ccc(F)cc21)N[C@@H]1CCCC[NH2+]C1 ZINC000333532815 282943520 /nfs/dbraw/zinc/94/35/20/282943520.db2.gz IFSWSHWXYJOHOP-OCCSQVGLSA-N 1 0 307.369 2.091 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCOC[C@@H]1CC(C)C ZINC000073203325 191291602 /nfs/dbraw/zinc/29/16/02/191291602.db2.gz RNXFTCPGLMTBHC-HOTGVXAUSA-N 1 0 313.486 2.419 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000183608556 199620508 /nfs/dbraw/zinc/62/05/08/199620508.db2.gz PJAKITBPBRCUSM-AWEZNQCLSA-N 1 0 317.414 2.423 10 0 DEAERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)[C@H]1CCCOC1 ZINC000333964428 282999465 /nfs/dbraw/zinc/99/94/65/282999465.db2.gz PAFXPDKTADDTPJ-QRTARXTBSA-N 1 0 318.417 2.113 10 0 DEAERO CN1CCC[C@@H](C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1=O ZINC000333969516 283001520 /nfs/dbraw/zinc/00/15/20/283001520.db2.gz UTNVGFDXXHUMJU-HOTGVXAUSA-N 1 0 315.417 2.042 10 0 DEAERO CCOC[C@H](C)[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000044425885 354235667 /nfs/dbraw/zinc/23/56/67/354235667.db2.gz LFZLKXVGFSNYCA-JSGCOSHPSA-N 1 0 301.814 2.232 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCCOC1)c1ccccc1 ZINC000057162123 354559109 /nfs/dbraw/zinc/55/91/09/354559109.db2.gz DACZVJQWGRBFKM-HOCLYGCPSA-N 1 0 305.422 2.015 10 0 DEAERO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)NCCCN1CCCCCC1=O ZINC000076150157 355130043 /nfs/dbraw/zinc/13/00/43/355130043.db2.gz RUUJALDWOTUIMR-JKSUJKDBSA-N 1 0 323.481 2.016 10 0 DEAERO CCCCc1noc([C@H](C)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000363387591 283092668 /nfs/dbraw/zinc/09/26/68/283092668.db2.gz HOZIYGBZBWHTQB-RRFJBIMHSA-N 1 0 322.453 2.004 10 0 DEAERO O=C(Nc1ccccc1OCc1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000390776985 540134663 /nfs/dbraw/zinc/13/46/63/540134663.db2.gz NXGNLVMXIAHUJI-KRWDZBQOSA-N 1 0 312.369 2.193 10 0 DEAERO COc1ccc2c(c1O)[C@]13CC[NH2+][C@H](C2)[C@@H]1C[C@@H](C)C(=O)C3 ZINC000079929109 355337109 /nfs/dbraw/zinc/33/71/09/355337109.db2.gz XRNQHMPERYCZTP-VMWDTQKESA-N 1 0 301.386 2.172 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000075614879 191501783 /nfs/dbraw/zinc/50/17/83/191501783.db2.gz DLQZHNUJHAANQQ-CQSZACIVSA-N 1 0 300.805 2.368 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1sccc1Br)C(F)(F)F ZINC000401715027 540142590 /nfs/dbraw/zinc/14/25/90/540142590.db2.gz AIMJQVAHPAVKJN-YFKPBYRVSA-N 1 0 317.130 2.130 10 0 DEAERO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(F)cc1C ZINC000440071403 540181028 /nfs/dbraw/zinc/18/10/28/540181028.db2.gz BNHJXNKDYAPDFE-GFCCVEGCSA-N 1 0 302.415 2.143 10 0 DEAERO CC(C)CCN(CCC(C)C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000105282932 355720138 /nfs/dbraw/zinc/72/01/38/355720138.db2.gz JDRGAQOXADNJQR-INIZCTEOSA-N 1 0 313.486 2.421 10 0 DEAERO CCN1CC[NH+](CCCCNC(=O)N[C@H](C)C(C)(C)C)CC1 ZINC000112439846 355752734 /nfs/dbraw/zinc/75/27/34/355752734.db2.gz SFJUORIXQXFNGW-OAHLLOKOSA-N 1 0 312.502 2.138 10 0 DEAERO CC1(CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)COC1 ZINC000112720307 355755934 /nfs/dbraw/zinc/75/59/34/355755934.db2.gz JTFZIBDAEWKTTP-MRXNPFEDSA-N 1 0 323.481 2.367 10 0 DEAERO CCCN(CC[NH+](C)C)C(=O)c1coc(Br)c1 ZINC000123737246 355805814 /nfs/dbraw/zinc/80/58/14/355805814.db2.gz XVXNBNDRHYOHIU-UHFFFAOYSA-N 1 0 303.200 2.456 10 0 DEAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC000370529476 283126045 /nfs/dbraw/zinc/12/60/45/283126045.db2.gz UDIKHPAWMDWINU-LJISPDSOSA-N 1 0 318.465 2.312 10 0 DEAERO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2Cc3ccc(N)cc3C2)CC1 ZINC000146807525 355909625 /nfs/dbraw/zinc/90/96/25/355909625.db2.gz ZSKAITCFCCLVSW-INIZCTEOSA-N 1 0 317.433 2.289 10 0 DEAERO C[C@H](CCC(C)(C)C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000153841353 355938390 /nfs/dbraw/zinc/93/83/90/355938390.db2.gz KUVRVJOWHVRCNK-HUUCEWRRSA-N 1 0 313.486 2.347 10 0 DEAERO Cn1nccc1CNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000156622739 355952607 /nfs/dbraw/zinc/95/26/07/355952607.db2.gz HMMBKNPEPMVROU-UHFFFAOYSA-N 1 0 321.469 2.074 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2ncccc2OC(C)C)C1 ZINC000079546798 191949569 /nfs/dbraw/zinc/94/95/69/191949569.db2.gz QWRBPVRLXQYYFW-AWEZNQCLSA-N 1 0 305.422 2.425 10 0 DEAERO CCCC[N@H+](CCCO)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000182155814 356111589 /nfs/dbraw/zinc/11/15/89/356111589.db2.gz XLTYOECOHFBFMP-CYBMUJFWSA-N 1 0 324.387 2.272 10 0 DEAERO CCC[C@H](COC)NS(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000079769172 191970074 /nfs/dbraw/zinc/97/00/74/191970074.db2.gz OQNZVBOGRQJVMI-GXTWGEPZSA-N 1 0 314.451 2.060 10 0 DEAERO CC[C@H]1CN(C(=O)NCCCC(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000181814818 356097556 /nfs/dbraw/zinc/09/75/56/356097556.db2.gz NFOWPNRTNWFOKA-CABCVRRESA-N 1 0 313.486 2.299 10 0 DEAERO CCOc1cccnc1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183151775 356161688 /nfs/dbraw/zinc/16/16/88/356161688.db2.gz GXDUTOJUIVKUGG-CQSZACIVSA-N 1 0 305.422 2.475 10 0 DEAERO COc1cc(C[NH2+][C@H](C)CCO)cc(Br)c1O ZINC000080203868 192012901 /nfs/dbraw/zinc/01/29/01/192012901.db2.gz RTZLNUBNKHOXOT-MRVPVSSYSA-N 1 0 304.184 2.024 10 0 DEAERO CN1CCN(C(=O)C[NH2+][C@@H]2c3ccccc3CCC2(C)C)CC1 ZINC000183201886 356163218 /nfs/dbraw/zinc/16/32/18/356163218.db2.gz QAXXXWVUBWXMBA-GOSISDBHSA-N 1 0 315.461 2.064 10 0 DEAERO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1-n1ccc(C)n1 ZINC000183347850 356168746 /nfs/dbraw/zinc/16/87/46/356168746.db2.gz CHKYSWJNGBNRHD-AWEZNQCLSA-N 1 0 321.446 2.094 10 0 DEAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000183382353 356169759 /nfs/dbraw/zinc/16/97/59/356169759.db2.gz NSXURNQRVXPMTG-PMPSAXMXSA-N 1 0 316.511 2.052 10 0 DEAERO COCc1cc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)ncn1 ZINC000183914436 356182511 /nfs/dbraw/zinc/18/25/11/356182511.db2.gz OTKSFUREMIOLNE-CYBMUJFWSA-N 1 0 321.425 2.009 10 0 DEAERO C[C@@H](NCc1nnc(C2CC2)n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666382 356209471 /nfs/dbraw/zinc/20/94/71/356209471.db2.gz DOXZFJZSXGAHNZ-UKRRQHHQSA-N 1 0 317.481 2.435 10 0 DEAERO CC(C)[N@@H+]1CCO[C@H](CN2CCSc3ccc(N)cc32)C1 ZINC000080747123 192187369 /nfs/dbraw/zinc/18/73/69/192187369.db2.gz AKNRAQFWVCYYJF-AWEZNQCLSA-N 1 0 307.463 2.290 10 0 DEAERO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@]1(CCO)CCOC1 ZINC000194916431 356246557 /nfs/dbraw/zinc/24/65/57/356246557.db2.gz KWGFLHUQHOPQAN-WMZOPIPTSA-N 1 0 305.418 2.451 10 0 DEAERO CN(Cc1ccccc1)c1nc[nH+]c(NN)c1Br ZINC000234308797 356286657 /nfs/dbraw/zinc/28/66/57/356286657.db2.gz LUJSCBHGZCPHJD-UHFFFAOYSA-N 1 0 308.183 2.161 10 0 DEAERO COc1cccc(OC)c1C(=O)Nc1nc([C@@H](C)[NH3+])cs1 ZINC000080863060 192196666 /nfs/dbraw/zinc/19/66/66/192196666.db2.gz XDFIGUSXRMDEHZ-MRVPVSSYSA-N 1 0 307.375 2.432 10 0 DEAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)C1 ZINC000080915105 192200586 /nfs/dbraw/zinc/20/05/86/192200586.db2.gz CBSNSEAGIMGTKE-RFAUZJTJSA-N 1 0 309.797 2.285 10 0 DEAERO COc1cc2nc(NCCC[NH2+]C(C)C)nc(N)c2cc1OC ZINC000247995212 356321231 /nfs/dbraw/zinc/32/12/31/356321231.db2.gz MDBMSOWTJXCVKA-UHFFFAOYSA-N 1 0 319.409 2.029 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000262638961 356343072 /nfs/dbraw/zinc/34/30/72/356343072.db2.gz YKTOCEJCGDBWEY-CFVMTHIKSA-N 1 0 315.417 2.118 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000262642685 356343110 /nfs/dbraw/zinc/34/31/10/356343110.db2.gz SPNDPTFYHQWJDM-MJBXVCDLSA-N 1 0 306.406 2.048 10 0 DEAERO COC[C@H]1CCN([C@@H](C[NH3+])c2cccc(Br)c2)C1 ZINC000081041968 192219141 /nfs/dbraw/zinc/21/91/41/192219141.db2.gz PMKVVTBNDVIVLH-FZMZJTMJSA-N 1 0 313.239 2.417 10 0 DEAERO COC[C@H]1CCN([C@@H](C[NH3+])c2ccccc2OC(F)F)C1 ZINC000081049460 192219321 /nfs/dbraw/zinc/21/93/21/192219321.db2.gz RVFSKRPKQKHZGU-AAEUAGOBSA-N 1 0 300.349 2.256 10 0 DEAERO COC[C@H]1CCN([C@@H](C[NH3+])c2cc(Br)cs2)C1 ZINC000081041556 192219877 /nfs/dbraw/zinc/21/98/77/192219877.db2.gz ASJOMXQCUAEZKK-ONGXEEELSA-N 1 0 319.268 2.479 10 0 DEAERO Cc1c(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000400390941 283156314 /nfs/dbraw/zinc/15/63/14/283156314.db2.gz IHMUFABCAFGKMY-TZMCWYRMSA-N 1 0 322.453 2.464 10 0 DEAERO O[C@H](c1cccc(I)c1)[C@H]1CCC[NH2+]1 ZINC000306186668 356402805 /nfs/dbraw/zinc/40/28/05/356402805.db2.gz SNWLZZOFBJOYNL-GHMZBOCLSA-N 1 0 303.143 2.077 10 0 DEAERO [NH3+]C[C@@H]1CCO[C@@H]1c1ccc(I)cc1 ZINC000306209782 356402911 /nfs/dbraw/zinc/40/29/11/356402911.db2.gz IKALTLLNLJNROU-GXSJLCMTSA-N 1 0 303.143 2.328 10 0 DEAERO O[C@H](c1cc(Br)cc(Br)c1)C1C[NH2+]C1 ZINC000306612019 356404642 /nfs/dbraw/zinc/40/46/42/356404642.db2.gz HTKKMTQVHUQAOJ-SNVBAGLBSA-N 1 0 321.012 2.464 10 0 DEAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328627681 356463295 /nfs/dbraw/zinc/46/32/95/356463295.db2.gz GMCACEDVTRHXPC-GARJFASQSA-N 1 0 303.328 2.231 10 0 DEAERO Cc1ccc(C(=O)N2CCO[C@H](C[N@H+](C)CC3CC3)C2)c(F)c1 ZINC000328639034 356465600 /nfs/dbraw/zinc/46/56/00/356465600.db2.gz PITQMBQTOMYLNI-OAHLLOKOSA-N 1 0 320.408 2.317 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCn2cnnc2C1 ZINC000081531246 192284239 /nfs/dbraw/zinc/28/42/39/192284239.db2.gz NODHFQKVZSOXJC-UKRRQHHQSA-N 1 0 305.813 2.226 10 0 DEAERO CCCN(C(=O)c1ccc(-c2ncon2)cc1)C1CC[NH2+]CC1 ZINC000236853763 202039465 /nfs/dbraw/zinc/03/94/65/202039465.db2.gz BNBYQVHKOACTPZ-UHFFFAOYSA-N 1 0 314.389 2.341 10 0 DEAERO CCC1(CC)CN(CCCS(C)(=O)=O)C(CC)(CC)C[NH2+]1 ZINC000085520409 192515001 /nfs/dbraw/zinc/51/50/01/192515001.db2.gz CQMXBFWPSAKJSI-UHFFFAOYSA-N 1 0 318.527 2.444 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000236907821 202064620 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CC[C@H]([NH2+][C@H](C)c1ccc(Br)cn1)C(=O)NC ZINC000578596144 356840559 /nfs/dbraw/zinc/84/05/59/356840559.db2.gz OMXSROSSIPKAOW-SCZZXKLOSA-N 1 0 300.200 2.019 10 0 DEAERO CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)NC ZINC000578596165 356840723 /nfs/dbraw/zinc/84/07/23/356840723.db2.gz OMXSROSSIPKAOW-WPRPVWTQSA-N 1 0 300.200 2.019 10 0 DEAERO Cc1cc(C(=O)N2CCC([NH3+])CC2)sc1Br ZINC000087018474 192611427 /nfs/dbraw/zinc/61/14/27/192611427.db2.gz WWUYFWUCLJPNSY-UHFFFAOYSA-N 1 0 303.225 2.382 10 0 DEAERO CC(C)C[C@H](C)OC[C@H](O)C[NH2+]CC1(O)CCC(C)CC1 ZINC000087061767 192618455 /nfs/dbraw/zinc/61/84/55/192618455.db2.gz TXHDJZLLYCOGMN-VUROTCPHSA-N 1 0 301.471 2.329 10 0 DEAERO CC[C@H]1CN(Cc2nc(-c3ccoc3)no2)C[C@]2(CCOC2)O1 ZINC000579906079 357047692 /nfs/dbraw/zinc/04/76/92/357047692.db2.gz KZOQWDMLZAQEQO-BBRMVZONSA-N 1 0 319.361 2.100 10 0 DEAERO C[NH2+]Cc1sccc1S(=O)(=O)N(C)C1CCCCC1 ZINC000088916697 192656076 /nfs/dbraw/zinc/65/60/76/192656076.db2.gz ZPXKAIDGONHQPN-UHFFFAOYSA-N 1 0 302.465 2.421 10 0 DEAERO C[C@@H]([NH3+])C1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000178822015 198936660 /nfs/dbraw/zinc/93/66/60/198936660.db2.gz YZJZPURQGRMXCZ-MRVPVSSYSA-N 1 0 301.184 2.242 10 0 DEAERO CN(CC1CC1)C(=O)C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451943247 283282998 /nfs/dbraw/zinc/28/29/98/283282998.db2.gz VNZTUKDNDWOIFG-UHFFFAOYSA-N 1 0 316.445 2.236 10 0 DEAERO Cc1cccc(Cl)c1NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179424965 199032618 /nfs/dbraw/zinc/03/26/18/199032618.db2.gz JTXVESDZPHXNDN-CYBMUJFWSA-N 1 0 307.825 2.367 10 0 DEAERO C[C@H]1C[C@H](CC[N@@H+]2CCC[C@H]2CS(N)(=O)=O)C[C@@H](C)C1 ZINC000408245659 291120413 /nfs/dbraw/zinc/12/04/13/291120413.db2.gz HURSBFPHAIJYDK-YJNKXOJESA-N 1 0 302.484 2.202 10 0 DEAERO CC(C)CN(C1CC1)S(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000089004391 192691656 /nfs/dbraw/zinc/69/16/56/192691656.db2.gz YZQMMWIRDHVZGA-UHFFFAOYSA-N 1 0 300.399 2.094 10 0 DEAERO CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000593910558 358169925 /nfs/dbraw/zinc/16/99/25/358169925.db2.gz XNGVZIQGLBNVGG-LNFKQOIKSA-N 1 0 310.385 2.175 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)NC1CC[NH+](CC2CC2)CC1 ZINC000180514900 199170227 /nfs/dbraw/zinc/17/02/27/199170227.db2.gz NUCCTOFUYJOKHF-UHFFFAOYSA-N 1 0 322.840 2.409 10 0 DEAERO CC[C@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1cnn(C)c1 ZINC000180508174 199169164 /nfs/dbraw/zinc/16/91/64/199169164.db2.gz MLFOWRQBKFPXIR-KGLIPLIRSA-N 1 0 302.426 2.191 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC2(C)Cc3ccccc3C2)C1 ZINC000180580790 199179283 /nfs/dbraw/zinc/17/92/83/199179283.db2.gz VCWVEZLZZVYVBQ-MRXNPFEDSA-N 1 0 301.434 2.137 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000291663593 404469462 /nfs/dbraw/zinc/46/94/62/404469462.db2.gz FKSLWNBMVIKCFF-RCCFBDPRSA-N 1 0 324.428 2.374 10 0 DEAERO CCCCN([C@@H](C)CC)S(=O)(=O)c1n[nH]c(C)c1C[NH2+]C ZINC000089006035 192694117 /nfs/dbraw/zinc/69/41/17/192694117.db2.gz ZNAAZDVZABDOTQ-NSHDSACASA-N 1 0 316.471 2.027 10 0 DEAERO CC(=O)c1nc(CC[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)[nH]c1C ZINC000595337362 358425196 /nfs/dbraw/zinc/42/51/96/358425196.db2.gz XTIQRLYJDZTYFQ-CYBMUJFWSA-N 1 0 321.421 2.127 10 0 DEAERO CC(=O)[C@](C)(O)C[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000595719415 358532185 /nfs/dbraw/zinc/53/21/85/358532185.db2.gz UGUKMQIQSWFYHP-QGZVFWFLSA-N 1 0 313.438 2.160 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C)nc1 ZINC000089022144 192700968 /nfs/dbraw/zinc/70/09/68/192700968.db2.gz YDBDGOARKDFTCM-OLZOCXBDSA-N 1 0 311.451 2.000 10 0 DEAERO CC(C)[NH2+]CCCc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000089024493 192705346 /nfs/dbraw/zinc/70/53/46/192705346.db2.gz XCVSZEWNDMFKDK-BBRMVZONSA-N 1 0 310.463 2.304 10 0 DEAERO CN(CC1CCC1)S(=O)(=O)c1cc(Cl)cc(C[NH3+])c1F ZINC000089026820 192706363 /nfs/dbraw/zinc/70/63/63/192706363.db2.gz JRTLQRIQWBOFKA-UHFFFAOYSA-N 1 0 320.817 2.358 10 0 DEAERO CC[NH2+][C@H](Cc1c(Br)c(C)nn1C)c1ccncn1 ZINC000089251753 192751367 /nfs/dbraw/zinc/75/13/67/192751367.db2.gz IAPLOXHWAROGLT-LLVKDONJSA-N 1 0 324.226 2.174 10 0 DEAERO CCc1nn(C)c(CO[C@@H]2CCC[C@@H]2C[NH3+])c1Br ZINC000089321236 192767136 /nfs/dbraw/zinc/76/71/36/192767136.db2.gz SCKOQZCUIYAHAH-BXKDBHETSA-N 1 0 316.243 2.389 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000089452352 192792732 /nfs/dbraw/zinc/79/27/32/192792732.db2.gz LHBICWBVSCSFDP-WCBMZHEXSA-N 1 0 307.781 2.148 10 0 DEAERO C[C@@H](NC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC1)c1ccccc1 ZINC000186788442 200011182 /nfs/dbraw/zinc/01/11/82/200011182.db2.gz NGAQYVRAENAMQA-CABCVRRESA-N 1 0 303.450 2.278 10 0 DEAERO CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000186850547 200021873 /nfs/dbraw/zinc/02/18/73/200021873.db2.gz AEMHFVGMFXUOLN-UONOGXRCSA-N 1 0 303.406 2.078 10 0 DEAERO CCC[C@@H](C)[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000187684674 200143913 /nfs/dbraw/zinc/14/39/13/200143913.db2.gz SJWOLEOBRYCLLJ-SJORKVTESA-N 1 0 306.450 2.233 10 0 DEAERO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2nccnc2C)c1 ZINC000187731854 200150578 /nfs/dbraw/zinc/15/05/78/200150578.db2.gz GSJJIZUFKYCPHU-IUODEOHRSA-N 1 0 317.389 2.186 10 0 DEAERO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cccc3ccccc32)[C@@H]1C ZINC000262735802 291194841 /nfs/dbraw/zinc/19/48/41/291194841.db2.gz AGXFQEDCIROSAE-CHWSQXEVSA-N 1 0 304.415 2.211 10 0 DEAERO Cc1nccnc1[C@@H](C)[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000188341918 200230491 /nfs/dbraw/zinc/23/04/91/200230491.db2.gz RNBXCMYZZDSSBA-OLZOCXBDSA-N 1 0 300.410 2.166 10 0 DEAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CSC(=O)N2)cc1 ZINC000188352729 200232057 /nfs/dbraw/zinc/23/20/57/200232057.db2.gz XQZQQIWMBNPZGO-ZDUSSCGKSA-N 1 0 307.419 2.292 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc(COC)c1 ZINC000188350458 200232495 /nfs/dbraw/zinc/23/24/95/200232495.db2.gz GBWIHCDVJSLZKJ-QZTJIDSGSA-N 1 0 316.445 2.461 10 0 DEAERO CC(=O)C(C)(C)CCC(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627740514 366606709 /nfs/dbraw/zinc/60/67/09/366606709.db2.gz SSYDWJIYKHEFGQ-UHFFFAOYSA-N 1 0 324.465 2.095 10 0 DEAERO O=C1[C@@H]([NH2+][C@@H]2CCCSC2)CCN1Cc1ccc(F)cc1 ZINC000189055748 200342493 /nfs/dbraw/zinc/34/24/93/200342493.db2.gz YYHPNUSGVXVGTF-CABCVRRESA-N 1 0 308.422 2.412 10 0 DEAERO COc1ccc2[nH]c(C(=O)N3CCC[C@H]([NH+](C)C)C3)cc2c1 ZINC000189231094 200367078 /nfs/dbraw/zinc/36/70/78/200367078.db2.gz FMIUJJFJKBZFJG-ZDUSSCGKSA-N 1 0 301.390 2.343 10 0 DEAERO O[C@H](CNCc1ccc(Cl)cc1F)C[NH+]1CCCCC1 ZINC000189278012 200375319 /nfs/dbraw/zinc/37/53/19/200375319.db2.gz KMEFSAUMGRRBGA-CQSZACIVSA-N 1 0 300.805 2.416 10 0 DEAERO Cc1cc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cnn1 ZINC000276008294 212627912 /nfs/dbraw/zinc/62/79/12/212627912.db2.gz AAXOHGIJLAQTCP-UHFFFAOYSA-N 1 0 314.389 2.115 10 0 DEAERO C[C@@H]1Cc2ccccc2N1C1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000604758635 360930914 /nfs/dbraw/zinc/93/09/14/360930914.db2.gz FNDVGCMTFYYNTC-KDOFPFPSSA-N 1 0 313.445 2.133 10 0 DEAERO COC(=O)c1ccc(C)c(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000192626279 200913505 /nfs/dbraw/zinc/91/35/05/200913505.db2.gz NRNUPIIHAJZGRX-UHFFFAOYSA-N 1 0 319.405 2.340 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000292751074 223229949 /nfs/dbraw/zinc/22/99/49/223229949.db2.gz ILBZHYQTPFMWMY-QZTJIDSGSA-N 1 0 312.417 2.470 10 0 DEAERO C[NH2+]CCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000193236247 201010876 /nfs/dbraw/zinc/01/08/76/201010876.db2.gz LPNSSEUNORGQJI-UHFFFAOYSA-N 1 0 314.451 2.015 10 0 DEAERO CCCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000193358454 201038142 /nfs/dbraw/zinc/03/81/42/201038142.db2.gz DNMSSPMNJXRDKV-PBHICJAKSA-N 1 0 318.421 2.096 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)c(Cl)cc1F ZINC000193450374 201053107 /nfs/dbraw/zinc/05/31/07/201053107.db2.gz DNZQIKVWQJWLBI-JOYOIKCWSA-N 1 0 320.817 2.206 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)c(Cl)cc1F ZINC000193450390 201053420 /nfs/dbraw/zinc/05/34/20/201053420.db2.gz DNZQIKVWQJWLBI-CABZTGNLSA-N 1 0 320.817 2.206 10 0 DEAERO COC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H](OC)C2)c1 ZINC000619426920 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Cn1c(Cl)ncc1C1=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675077533 541286345 /nfs/dbraw/zinc/28/63/45/541286345.db2.gz GABHKQSIJUBDGL-SNVBAGLBSA-N 1 0 312.801 2.035 10 0 DEAERO COc1ccc(C[C@H](C)C[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000090909678 192943981 /nfs/dbraw/zinc/94/39/81/192943981.db2.gz MXSSBIWXMVKTAH-ZDUSSCGKSA-N 1 0 305.422 2.007 10 0 DEAERO CC(=O)c1csc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000620966630 364216371 /nfs/dbraw/zinc/21/63/71/364216371.db2.gz KQXVEPLILLWHKE-AWEZNQCLSA-N 1 0 324.446 2.134 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+]C3CC4(CCC4)C3)C2)ccn1 ZINC000628476630 366863029 /nfs/dbraw/zinc/86/30/29/366863029.db2.gz DJNMFKZBYNQFPG-QGZVFWFLSA-N 1 0 301.434 2.205 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CCO[C@H]2CC2(F)F)c2ccccc21 ZINC000621765392 364539530 /nfs/dbraw/zinc/53/95/30/364539530.db2.gz XUEQFXPSFKTGKG-ZFWWWQNUSA-N 1 0 310.344 2.498 10 0 DEAERO C[C@H](C[N@@H+]1CCC[C@@]12CCOC2)c1ccc(S(C)(=O)=O)cc1 ZINC000449311215 240339020 /nfs/dbraw/zinc/33/90/20/240339020.db2.gz 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CC[NH2+][C@@H](CCCS(C)(=O)=O)C1(N(C)C)CCC(C)CC1 ZINC000091649431 193084599 /nfs/dbraw/zinc/08/45/99/193084599.db2.gz FQKWDNQPHLOCCC-PCKAHOCUSA-N 1 0 318.527 2.300 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)C1(N(C)C)CCCCCC1 ZINC000091654738 193084714 /nfs/dbraw/zinc/08/47/14/193084714.db2.gz LXZVCVNELGCXII-OAHLLOKOSA-N 1 0 318.527 2.444 10 0 DEAERO CCS(=O)(=O)CCC[C@H](O)C1([NH+](C)C)CCCCCC1 ZINC000091653977 193085169 /nfs/dbraw/zinc/08/51/69/193085169.db2.gz SZMVKLHBOFIWCY-AWEZNQCLSA-N 1 0 305.484 2.217 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccc1OC(F)F ZINC000091667762 193087653 /nfs/dbraw/zinc/08/76/53/193087653.db2.gz YQTQZUHQCYFOMT-RYUDHWBXSA-N 1 0 300.349 2.269 10 0 DEAERO CCN(CC)C1([C@@H](CCCS(C)(=O)=O)[NH2+]C)CCCC1 ZINC000091639597 193082961 /nfs/dbraw/zinc/08/29/61/193082961.db2.gz XLBXIULSDWMEBL-CQSZACIVSA-N 1 0 304.500 2.054 10 0 DEAERO Cc1sc2[nH]c(Cn3ccc([C@H](C)[NH3+])c3)nc(=O)c2c1C ZINC000091803459 193111477 /nfs/dbraw/zinc/11/14/77/193111477.db2.gz CHYMTHVDKLVOFJ-VIFPVBQESA-N 1 0 302.403 2.471 10 0 DEAERO CC[NH2+]C1CCC(N(C)c2ccccc2S(C)(=O)=O)CC1 ZINC000091870835 193121403 /nfs/dbraw/zinc/12/14/03/193121403.db2.gz CZFRIHDYEUJGCO-UHFFFAOYSA-N 1 0 310.463 2.447 10 0 DEAERO [NH3+]CC1([C@H](O)c2ccc(Br)cc2)CCOCC1 ZINC000091909470 193124658 /nfs/dbraw/zinc/12/46/58/193124658.db2.gz RIROWJZCNWFZLR-GFCCVEGCSA-N 1 0 300.196 2.238 10 0 DEAERO C[C@](O)(c1ccccc1Br)C1(C[NH3+])CCOCC1 ZINC000091905911 193124664 /nfs/dbraw/zinc/12/46/64/193124664.db2.gz DDJDFMCAUJTRSW-ZDUSSCGKSA-N 1 0 314.223 2.412 10 0 DEAERO CC(C)C1CCC(C[NH3+])([C@]2(O)CCC[C@@H]2S(C)(=O)=O)CC1 ZINC000091922094 193126896 /nfs/dbraw/zinc/12/68/96/193126896.db2.gz LMHFVDZUGJAFKR-GRAKBVBRSA-N 1 0 317.495 2.106 10 0 DEAERO CC[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C(=O)NC ZINC000449772239 241056202 /nfs/dbraw/zinc/05/62/02/241056202.db2.gz HWYBMGNZQKRDGW-CQSZACIVSA-N 1 0 306.406 2.256 10 0 DEAERO COc1nsc(C[NH2+]C[C@H]2C[C@@H](OC)C2)c1Br ZINC000630075208 367458634 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CCC1CCN(S(=O)(=O)c2ccc(C[NH2+]C)cc2F)CC1 ZINC000092115873 193163993 /nfs/dbraw/zinc/16/39/93/193163993.db2.gz DMWWMSARLNHJFO-UHFFFAOYSA-N 1 0 314.426 2.356 10 0 DEAERO CCC1(C)CCN(S(=O)(=O)c2ccc(C[NH3+])cc2F)CC1 ZINC000092116142 193164482 /nfs/dbraw/zinc/16/44/82/193164482.db2.gz UAAXAJKYJTXZMN-UHFFFAOYSA-N 1 0 314.426 2.485 10 0 DEAERO C[NH2+]C[C@H](C)C(=O)Nc1c2ccccc2sc1C(=O)OC ZINC000092135901 193167038 /nfs/dbraw/zinc/16/70/38/193167038.db2.gz CWKDNGBBBXYACE-VIFPVBQESA-N 1 0 306.387 2.482 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH3+])C(C)(C)OC ZINC000092138654 193167554 /nfs/dbraw/zinc/16/75/54/193167554.db2.gz LSPZLJVXINTPIN-JTQLQIEISA-N 1 0 304.232 2.269 10 0 DEAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1COC[C@@H]1O ZINC000631200526 368073810 /nfs/dbraw/zinc/07/38/10/368073810.db2.gz LFMFUDUSEWLOLJ-RMULCIKWSA-N 1 0 301.308 2.458 10 0 DEAERO O[C@@H](CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C(F)F ZINC000631219444 368086597 /nfs/dbraw/zinc/08/65/97/368086597.db2.gz NSGAOJMOLFRLQM-JTQLQIEISA-N 1 0 307.724 2.217 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092208432 193173721 /nfs/dbraw/zinc/17/37/21/193173721.db2.gz CPBLIMZJGBKWQM-RKDXNWHRSA-N 1 0 311.179 2.300 10 0 DEAERO C[C@H]1CN(CC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC000631843109 368418708 /nfs/dbraw/zinc/41/87/08/368418708.db2.gz JJAIKUPKNFTFRQ-UWVGGRQHSA-N 1 0 316.232 2.459 10 0 DEAERO Cc1csc(NC(=O)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)n1 ZINC000451600539 243182528 /nfs/dbraw/zinc/18/25/28/243182528.db2.gz SDMUHQRJEZMXLA-JSGCOSHPSA-N 1 0 313.467 2.269 10 0 DEAERO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000631979186 368478902 /nfs/dbraw/zinc/47/89/02/368478902.db2.gz OULKSNYUWZPGMW-GFCCVEGCSA-N 1 0 316.854 2.397 10 0 DEAERO C[N@H+](CCCC(=O)Nc1cc(Cl)ccc1N)CC(C)(C)O ZINC000092958552 193188225 /nfs/dbraw/zinc/18/82/25/193188225.db2.gz MSDJFDBSECBEAR-UHFFFAOYSA-N 1 0 313.829 2.344 10 0 DEAERO CC[N@H+](CC(C)(C)O)[C@H](C)C(=O)Nc1cc(Cl)ccc1N ZINC000092964990 193189840 /nfs/dbraw/zinc/18/98/40/193189840.db2.gz BHRKEKWZTXRMOA-SNVBAGLBSA-N 1 0 313.829 2.342 10 0 DEAERO COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC([C@H](C)O)CC2)cc1 ZINC000092970850 193191050 /nfs/dbraw/zinc/19/10/50/193191050.db2.gz HBEGWPGRHCNLIW-UONOGXRCSA-N 1 0 321.417 2.220 10 0 DEAERO C[NH2+]Cc1sc(N(CCOC)[C@@H](C)COC)nc1C(C)C ZINC000093000058 193192423 /nfs/dbraw/zinc/19/24/23/193192423.db2.gz HGEDRCUESJYGRO-LBPRGKRZSA-N 1 0 315.483 2.474 10 0 DEAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000261918312 203152279 /nfs/dbraw/zinc/15/22/79/203152279.db2.gz JXFHBPRTYJNEQF-NEPJUHHUSA-N 1 0 322.771 2.154 10 0 DEAERO CN[C@H](C(=O)N[C@@H](C)c1ccc(C)cc1C)c1cnn(C)c1 ZINC000262065655 203188522 /nfs/dbraw/zinc/18/85/22/203188522.db2.gz IYFPEAFGCZAOJF-BBRMVZONSA-N 1 0 300.406 2.175 10 0 DEAERO CO[C@H](c1ccccc1F)[C@H](C)NC(=O)[C@H]([NH3+])CCSC ZINC000262125842 203206221 /nfs/dbraw/zinc/20/62/21/203206221.db2.gz LJQWSGZKHLTNTA-GDLCADMTSA-N 1 0 314.426 2.098 10 0 DEAERO CC[C@@H](O)CN(Cc1ccccc1)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262321236 203260973 /nfs/dbraw/zinc/26/09/73/203260973.db2.gz CLTGMZILDAKXNG-BHYGNILZSA-N 1 0 304.434 2.174 10 0 DEAERO O=C(Nc1cccc(COC2CCCCC2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262490292 203306306 /nfs/dbraw/zinc/30/63/06/203306306.db2.gz ZJCAHBHUOHBJTJ-RDJZCZTQSA-N 1 0 318.417 2.197 10 0 DEAERO COCCOCCC1(c2cccc(Br)c2)C[NH2+]C1 ZINC000093197257 193214464 /nfs/dbraw/zinc/21/44/64/193214464.db2.gz NCFOGLLFZDDSSD-UHFFFAOYSA-N 1 0 314.223 2.343 10 0 DEAERO Cn1cc(CC2(c3cccc(Br)c3)C[NH2+]C2)cn1 ZINC000093197254 193214498 /nfs/dbraw/zinc/21/44/98/193214498.db2.gz VMLMKCHKPHFCPL-UHFFFAOYSA-N 1 0 306.207 2.266 10 0 DEAERO CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)[C@@H]([NH3+])CCSC ZINC000262533778 203321776 /nfs/dbraw/zinc/32/17/76/203321776.db2.gz IZEMRRYVZWDNCW-SWHYSGLUSA-N 1 0 314.426 2.098 10 0 DEAERO [NH2+]=C1NC[C@]2(CCSc3ccccc32)N1C[C@@H]1CCCO1 ZINC000093377604 193240379 /nfs/dbraw/zinc/24/03/79/193240379.db2.gz DPDWWJVLIAINNM-LRDDRELGSA-N 1 0 303.431 2.187 10 0 DEAERO C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262613109 203350972 /nfs/dbraw/zinc/35/09/72/203350972.db2.gz DUGAFPPIXYAERP-BVFBRPIKSA-N 1 0 308.447 2.071 10 0 DEAERO C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(S(N)(=O)=O)cc1 ZINC000093495929 193259871 /nfs/dbraw/zinc/25/98/71/193259871.db2.gz PDJAQLPUGPBXTA-TZMCWYRMSA-N 1 0 311.451 2.057 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc2c1OCCO2 ZINC000093505733 193262376 /nfs/dbraw/zinc/26/23/76/193262376.db2.gz RUFLZGPBMMQVPR-CABCVRRESA-N 1 0 319.401 2.467 10 0 DEAERO COC(=O)[C@]1([NH3+])CCC[C@H]1CCN(CC(F)(F)F)C1CC1 ZINC000093589899 193271835 /nfs/dbraw/zinc/27/18/35/193271835.db2.gz QMSLZQZAVZUQLA-GWCFXTLKSA-N 1 0 308.344 2.074 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@@H]1CCSc1nnc(C)s1 ZINC000093622996 193275315 /nfs/dbraw/zinc/27/53/15/193275315.db2.gz HEAKIQYJFHTICM-DGCLKSJQSA-N 1 0 301.481 2.469 10 0 DEAERO NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H]1CCSc1ccccn1 ZINC000093629136 193276684 /nfs/dbraw/zinc/27/66/84/193276684.db2.gz FUXMINFODIYHFP-BLLLJJGKSA-N 1 0 305.447 2.340 10 0 DEAERO NC(=O)[C@]1([NH3+])CCC[C@@H]1CCSc1nc2ccccc2[nH]1 ZINC000093629107 193276865 /nfs/dbraw/zinc/27/68/65/193276865.db2.gz OIQQIDYNYNVXHO-BMIGLBTASA-N 1 0 304.419 2.028 10 0 DEAERO Cc1cc(C[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)sc1C ZINC000093697101 193293014 /nfs/dbraw/zinc/29/30/14/193293014.db2.gz OBFLHVRRIJXRHD-ZDUSSCGKSA-N 1 0 316.492 2.126 10 0 DEAERO CCC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093700031 193294107 /nfs/dbraw/zinc/29/41/07/193294107.db2.gz HOSGGTAMFROPLR-KBPBESRZSA-N 1 0 304.500 2.462 10 0 DEAERO CCC[C@@H](C[NH2+]C1CC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701382 193294542 /nfs/dbraw/zinc/29/45/42/193294542.db2.gz WKSYJSYZFRFGNB-ZIAGYGMSSA-N 1 0 302.484 2.216 10 0 DEAERO Cc1ccccc1[C@H](C[NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701649 193294741 /nfs/dbraw/zinc/29/47/41/193294741.db2.gz NTAPRDQTZCGRES-CABCVRRESA-N 1 0 310.463 2.099 10 0 DEAERO Cc1ccccc1[C@H](C[NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701647 193294779 /nfs/dbraw/zinc/29/47/79/193294779.db2.gz NTAPRDQTZCGRES-GJZGRUSLSA-N 1 0 310.463 2.099 10 0 DEAERO Cc1ccc([C@@H](C[NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093701658 193294969 /nfs/dbraw/zinc/29/49/69/193294969.db2.gz ZCYSRQYKCRMEQQ-GDBMZVCRSA-N 1 0 310.463 2.099 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@H](C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@@H]1C ZINC000093702375 193295647 /nfs/dbraw/zinc/29/56/47/193295647.db2.gz APYKJADINASYIB-CAOSSQGBSA-N 1 0 316.511 2.462 10 0 DEAERO NC(=O)[C@]1([NH3+])CCC[C@H](Sc2ccc(C(F)(F)F)cn2)C1 ZINC000093777635 193304459 /nfs/dbraw/zinc/30/44/59/193304459.db2.gz XXJHPCPYGRAJQC-CABZTGNLSA-N 1 0 319.352 2.318 10 0 DEAERO C[NH2+][C@H](C)c1ccccc1NS(=O)(=O)CCOC(C)C ZINC000093665849 193287827 /nfs/dbraw/zinc/28/78/27/193287827.db2.gz GFWUUPPLOMFHGK-GFCCVEGCSA-N 1 0 300.424 2.134 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)NC1C(C)(C)C([NH3+])C1(C)C ZINC000094006513 193338491 /nfs/dbraw/zinc/33/84/91/193338491.db2.gz BRMPLJYNCVPOPY-UHFFFAOYSA-N 1 0 314.426 2.174 10 0 DEAERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093850323 193317234 /nfs/dbraw/zinc/31/72/34/193317234.db2.gz HJLHYROCIYZNQX-MEBBXXQBSA-N 1 0 304.419 2.041 10 0 DEAERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2ccc(F)cc2F)C1 ZINC000093848923 193318081 /nfs/dbraw/zinc/31/80/81/193318081.db2.gz BNHWNQSWYKCZRH-QMTHXVAHSA-N 1 0 300.374 2.443 10 0 DEAERO NC(=O)[C@]1([NH3+])CC[C@@H](Sc2cccc(Br)c2)C1 ZINC000093852771 193318476 /nfs/dbraw/zinc/31/84/76/193318476.db2.gz KAHMPLRQHCQHFP-PWSUYJOCSA-N 1 0 315.236 2.277 10 0 DEAERO CC[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2cc(F)ccc2F)C1 ZINC000093851296 193319160 /nfs/dbraw/zinc/31/91/60/193319160.db2.gz SDTMABATPDVCQK-YGRLFVJLSA-N 1 0 300.374 2.443 10 0 DEAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)s1 ZINC000094024021 193338989 /nfs/dbraw/zinc/33/89/89/193338989.db2.gz WXFSSSPFPYRKNP-UHFFFAOYSA-N 1 0 316.492 2.457 10 0 DEAERO Cc1ccc(S(=O)(=O)N(CC2CC[NH2+]CC2)C(C)C)s1 ZINC000094024109 193339023 /nfs/dbraw/zinc/33/90/23/193339023.db2.gz FVZBOPSRADVGGD-UHFFFAOYSA-N 1 0 316.492 2.455 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccccc1OC ZINC000093891005 193323653 /nfs/dbraw/zinc/32/36/53/193323653.db2.gz XPOTZZNTPNZNHF-UHFFFAOYSA-N 1 0 314.451 2.081 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])c1ncncc1Br ZINC000093892414 193323800 /nfs/dbraw/zinc/32/38/00/193323800.db2.gz PZNCRELGXBBHIT-UHFFFAOYSA-N 1 0 301.232 2.440 10 0 DEAERO C[NH2+][C@@H](c1cccc(Cl)c1Cl)[C@@H]1CN(C)CCN1C ZINC000093894340 193324210 /nfs/dbraw/zinc/32/42/10/193324210.db2.gz JGHNXRHYDVPCPF-JSGCOSHPSA-N 1 0 302.249 2.500 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(F)c(F)c1 ZINC000093891013 193324262 /nfs/dbraw/zinc/32/42/62/193324262.db2.gz WNFJLXBWGJOZDJ-UHFFFAOYSA-N 1 0 320.405 2.350 10 0 DEAERO C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CN(C)CCN1C ZINC000093894520 193325384 /nfs/dbraw/zinc/32/53/84/193325384.db2.gz VSCMEPIDLAMXMM-UONOGXRCSA-N 1 0 302.249 2.500 10 0 DEAERO CCC[NH2+][C@H](c1cc(Cl)cnc1N)[C@@H]1CN(CC)CCO1 ZINC000093915258 193328127 /nfs/dbraw/zinc/32/81/27/193328127.db2.gz XJACFGXMCJZDGD-UONOGXRCSA-N 1 0 312.845 2.079 10 0 DEAERO [NH3+]C1(CC(=O)N[C@H]2CCC[C@@H](OCC(F)(F)F)C2)CCC1 ZINC000094293708 193357263 /nfs/dbraw/zinc/35/72/63/193357263.db2.gz PUFIHBGJLUAOLP-WDEREUQCSA-N 1 0 308.344 2.264 10 0 DEAERO CCC[NH2+][C@H](C)c1c(F)cccc1N(C)CCS(C)(=O)=O ZINC000094298836 193357818 /nfs/dbraw/zinc/35/78/18/193357818.db2.gz XHWUKCKLOYTCEK-GFCCVEGCSA-N 1 0 316.442 2.367 10 0 DEAERO [NH3+]Cc1ccc(C(F)(F)F)nc1Sc1nnnn1C1CC1 ZINC000094337258 193361269 /nfs/dbraw/zinc/36/12/69/193361269.db2.gz VKWBLJZKEVICJX-UHFFFAOYSA-N 1 0 316.312 2.032 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(F)c(OCCCC(=O)NC)c(F)c1 ZINC000094350535 193363209 /nfs/dbraw/zinc/36/32/09/193363209.db2.gz CGBHYAAPXINTKV-LLVKDONJSA-N 1 0 300.349 2.150 10 0 DEAERO CCCNC(=O)[C@H](C)Oc1c(F)cc(C[NH2+]CC)cc1F ZINC000094346786 193363587 /nfs/dbraw/zinc/36/35/87/193363587.db2.gz CCOMNAVSVWNZJQ-JTQLQIEISA-N 1 0 300.349 2.368 10 0 DEAERO COCC[NH2+]CC1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094053874 193341558 /nfs/dbraw/zinc/34/15/58/193341558.db2.gz AOFXBNVGLAULJZ-UHFFFAOYSA-N 1 0 301.793 2.327 10 0 DEAERO C[NH2+][C@@H](c1ccc(F)c(Br)c1)[C@@H]1COCCO1 ZINC000094096374 193344853 /nfs/dbraw/zinc/34/48/53/193344853.db2.gz NPZDHTVEPPURPK-RYUDHWBXSA-N 1 0 304.159 2.264 10 0 DEAERO COCC[NH2+]CC[C@](C)(O)c1cc(Br)ccc1F ZINC000094109310 193345734 /nfs/dbraw/zinc/34/57/34/193345734.db2.gz ZXFIWKBVUJIQDB-ZDUSSCGKSA-N 1 0 320.202 2.422 10 0 DEAERO CC[C@@](C)([NH3+])C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000094237052 193353542 /nfs/dbraw/zinc/35/35/42/193353542.db2.gz WNNVLTZXJNEYFW-CYBMUJFWSA-N 1 0 304.312 2.371 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H](Oc2cccc(F)c2C[NH3+])C1 ZINC000094634050 193385419 /nfs/dbraw/zinc/38/54/19/193385419.db2.gz ZEWGEKHWDGMNSA-WDEREUQCSA-N 1 0 301.383 2.019 10 0 DEAERO C[NH2+][C@H](c1ccc(F)cn1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094643096 193388610 /nfs/dbraw/zinc/38/86/10/193388610.db2.gz FAJXCVCMRZKXKF-OSMZGAPFSA-N 1 0 300.399 2.085 10 0 DEAERO CN(C)C1([C@H]([NH3+])[C@H]2CCC[C@H](S(C)(=O)=O)C2)CCCCC1 ZINC000094642935 193388625 /nfs/dbraw/zinc/38/86/25/193388625.db2.gz SSYWCNGAUKVNGW-SOUVJXGZSA-N 1 0 316.511 2.182 10 0 DEAERO Cc1nn([C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1C[NH2+]C(C)C ZINC000094644434 193389578 /nfs/dbraw/zinc/38/95/78/193389578.db2.gz FGXDWRAABQBJPV-LSDHHAIUSA-N 1 0 313.467 2.218 10 0 DEAERO Cc1nn([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1C[NH2+]C(C)C ZINC000094644433 193390119 /nfs/dbraw/zinc/39/01/19/193390119.db2.gz FGXDWRAABQBJPV-HUUCEWRRSA-N 1 0 313.467 2.218 10 0 DEAERO CC(C)C[NH2+]Cc1ncnn1[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000094412858 193368823 /nfs/dbraw/zinc/36/88/23/193368823.db2.gz UKNGFLRGWCTHFT-HIFRSBDPSA-N 1 0 310.467 2.251 10 0 DEAERO CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094410633 193369040 /nfs/dbraw/zinc/36/90/40/193369040.db2.gz NKEUQDQOOPWLRA-ZIAGYGMSSA-N 1 0 313.463 2.459 10 0 DEAERO COC(=O)C[N@H+](C(C)C)[C@H]1CCOC2(CCSCC2)C1 ZINC000094410605 193369132 /nfs/dbraw/zinc/36/91/32/193369132.db2.gz XGWOWMPHWMAHGB-ZDUSSCGKSA-N 1 0 301.452 2.315 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C(N)=S)cc1F ZINC000094460684 193372162 /nfs/dbraw/zinc/37/21/62/193372162.db2.gz CFPGQQPEXJHRDJ-SMDDNHRTSA-N 1 0 307.438 2.128 10 0 DEAERO CC1(C)CCSC[C@@H]1[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000094483137 193372378 /nfs/dbraw/zinc/37/23/78/193372378.db2.gz HNNCEAZVNSKIMF-ZFWWWQNUSA-N 1 0 309.479 2.374 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Cl)c(CC)nn1C)[C@H]1CSCCO1 ZINC000094503783 193374209 /nfs/dbraw/zinc/37/42/09/193374209.db2.gz ZXUFNOJLFZGWEN-WCQYABFASA-N 1 0 317.886 2.289 10 0 DEAERO CCn1nc(C[C@@H]([NH2+]C)[C@H]2CSCCO2)c2ccccc21 ZINC000094503380 193374548 /nfs/dbraw/zinc/37/45/48/193374548.db2.gz ZUOWYZSSWQXICP-GDBMZVCRSA-N 1 0 305.447 2.319 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(CC)s1)[C@@H]1CN2CCN1CC2 ZINC000094510913 193376196 /nfs/dbraw/zinc/37/61/96/193376196.db2.gz AEZKNSVMOSYGHV-SJORKVTESA-N 1 0 307.507 2.221 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000094550197 193378841 /nfs/dbraw/zinc/37/88/41/193378841.db2.gz RWMKUYTZAVLHPS-UWVGGRQHSA-N 1 0 322.352 2.063 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000094550121 193378854 /nfs/dbraw/zinc/37/88/54/193378854.db2.gz JXQUGGRAUYOTEJ-KOLCDFICSA-N 1 0 322.352 2.063 10 0 DEAERO COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C[NH3+])o1 ZINC000094570407 193380470 /nfs/dbraw/zinc/38/04/70/193380470.db2.gz LHNLSVDLDZTBLF-UHFFFAOYSA-N 1 0 308.359 2.456 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNc2nc3c(Br)cccn3n2)C1 ZINC000094604860 193383952 /nfs/dbraw/zinc/38/39/52/193383952.db2.gz YZOBYUXAFQHYQV-JTQLQIEISA-N 1 0 324.226 2.246 10 0 DEAERO Brc1cccn2nc(NCC[C@H]3CCC[NH2+]C3)nc12 ZINC000094608175 193384393 /nfs/dbraw/zinc/38/43/93/193384393.db2.gz BFIIOUDUZDWRSA-SNVBAGLBSA-N 1 0 324.226 2.293 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1Nc1nc2c(Br)cccn2n1 ZINC000094607541 193384537 /nfs/dbraw/zinc/38/45/37/193384537.db2.gz WITXXTOFPKSQKM-VHSXEESVSA-N 1 0 310.199 2.174 10 0 DEAERO C[C@@H](Nc1nc2c(Br)cccn2n1)[C@@H]1CCC[NH2+]C1 ZINC000094607718 193384915 /nfs/dbraw/zinc/38/49/15/193384915.db2.gz KOOIBNHDFHMYPF-NXEZZACHSA-N 1 0 324.226 2.292 10 0 DEAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cscc1C ZINC000094863750 193403393 /nfs/dbraw/zinc/40/33/93/193403393.db2.gz DWLXRGKRQMSGKT-OCCSQVGLSA-N 1 0 316.492 2.379 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCN(C)C(=O)C1(C)C ZINC000094865576 193403536 /nfs/dbraw/zinc/40/35/36/193403536.db2.gz YUXXWXSTVYAPOE-BXUZGUMPSA-N 1 0 309.841 2.281 10 0 DEAERO CCCCCC(C)(C)CNS(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000094996140 193411647 /nfs/dbraw/zinc/41/16/47/193411647.db2.gz XLNRRUHUZHEPPP-AWEZNQCLSA-N 1 0 319.515 2.098 10 0 DEAERO CC1(C)CC[N@H+](CCC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000094803243 193399316 /nfs/dbraw/zinc/39/93/16/193399316.db2.gz JXXQYAYGXFNPMO-UHFFFAOYSA-N 1 0 305.447 2.381 10 0 DEAERO COC1([C@@H](C)[NH2+][C@@H](CO)Cc2cccc(C)c2)CCOCC1 ZINC000453208213 244999196 /nfs/dbraw/zinc/99/91/96/244999196.db2.gz BLCIVLUKORRAED-NVXWUHKLSA-N 1 0 307.434 2.072 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000264043290 203690423 /nfs/dbraw/zinc/69/04/23/203690423.db2.gz SPOJTSCKMHQUBE-JTQLQIEISA-N 1 0 313.304 2.176 10 0 DEAERO CO[C@@H]1CCN(c2ccc(NC(=O)C3CC[NH+](C)CC3)cc2)C1 ZINC000096381505 193617773 /nfs/dbraw/zinc/61/77/73/193617773.db2.gz DHYKXRCDHOLMGI-QGZVFWFLSA-N 1 0 317.433 2.192 10 0 DEAERO CCN1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1=O ZINC000453333877 245075284 /nfs/dbraw/zinc/07/52/84/245075284.db2.gz WPDHMXLTVURXCH-JQHSSLGASA-N 1 0 315.461 2.107 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NCc2cnc(CC)o2)[C@H](C)C1 ZINC000453391955 245115487 /nfs/dbraw/zinc/11/54/87/245115487.db2.gz QYDDYPNIDKSBEP-ZBFHGGJFSA-N 1 0 309.454 2.464 10 0 DEAERO COC1([C@H](C)[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)CCOCC1 ZINC000453460375 245155698 /nfs/dbraw/zinc/15/56/98/245155698.db2.gz WNTCRCJURXKSEZ-FUHWJXTLSA-N 1 0 321.461 2.381 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1cccc(OC)c1OC ZINC000097217896 193693845 /nfs/dbraw/zinc/69/38/45/193693845.db2.gz MWMMJKTXMHGZOH-ZDUSSCGKSA-N 1 0 315.435 2.179 10 0 DEAERO COC(=O)c1ccc(N(C)C2CC[NH+](C(C)C)CC2)nc1OC ZINC000274774055 211921926 /nfs/dbraw/zinc/92/19/26/211921926.db2.gz SRCOMBHUHONDCZ-UHFFFAOYSA-N 1 0 321.421 2.186 10 0 DEAERO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246521482 284331703 /nfs/dbraw/zinc/33/17/03/284331703.db2.gz FTGPSRFRDBKYOS-XPKDYRNWSA-N 1 0 313.401 2.431 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])c2cccnc2C)c1Br ZINC000097278683 193703501 /nfs/dbraw/zinc/70/35/01/193703501.db2.gz LIKZUUCECNMFBY-NSHDSACASA-N 1 0 309.211 2.437 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc2ncccc2c1 ZINC000097344324 193709052 /nfs/dbraw/zinc/70/90/52/193709052.db2.gz FMAXQFJTKJVOQF-BLLLJJGKSA-N 1 0 304.415 2.320 10 0 DEAERO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1 ZINC000016473410 182045953 /nfs/dbraw/zinc/04/59/53/182045953.db2.gz PWRGIVVPMIRFIW-UHFFFAOYSA-N 1 0 305.422 2.495 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(F)c(Br)c2)CCO1 ZINC000019257465 182111666 /nfs/dbraw/zinc/11/16/66/182111666.db2.gz YQWSZJTWXHRNSZ-RNCFNFMXSA-N 1 0 317.202 2.309 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2OC(F)F)C[C@@H](C)O1 ZINC000019803235 182151550 /nfs/dbraw/zinc/15/15/50/182151550.db2.gz YTYCUDHPYYWDSF-WZRBSPASSA-N 1 0 300.349 2.397 10 0 DEAERO OC1(COc2cc(F)ccc2Br)CC[NH2+]CC1 ZINC000160325458 197401401 /nfs/dbraw/zinc/40/14/01/197401401.db2.gz VGCIMBPGOBTOEP-UHFFFAOYSA-N 1 0 304.159 2.082 10 0 DEAERO CCC[NH2+][C@H](c1c(Br)cnn1C)[C@@H]1CCCO1 ZINC000160304725 197399382 /nfs/dbraw/zinc/39/93/82/197399382.db2.gz ABYBHHWWMYNHAA-QWRGUYRKSA-N 1 0 302.216 2.402 10 0 DEAERO CCCNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH3+] ZINC000020483376 182223134 /nfs/dbraw/zinc/22/31/34/182223134.db2.gz WYYQURSXMAAQFB-SECBINFHSA-N 1 0 315.211 2.201 10 0 DEAERO C[C@H]1CO[C@@H](C[NH3+])CN1c1ncc(Cl)cc1Br ZINC000160113487 197387484 /nfs/dbraw/zinc/38/74/84/197387484.db2.gz IOSOUTGEYUNJRY-CBAPKCEASA-N 1 0 320.618 2.050 10 0 DEAERO CC[C@@H](C)[C@@H](CNC(=O)NCCC1CC[NH+](CC)CC1)OC ZINC000454658676 246035958 /nfs/dbraw/zinc/03/59/58/246035958.db2.gz QWRYUQJQHQBIEB-GDBMZVCRSA-N 1 0 313.486 2.469 10 0 DEAERO CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020933686 182255266 /nfs/dbraw/zinc/25/52/66/182255266.db2.gz KXFRKJOYVTYGHP-NSHDSACASA-N 1 0 318.211 2.327 10 0 DEAERO CCO[C@H]1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)C[C@@H]1C ZINC000454780771 246150493 /nfs/dbraw/zinc/15/04/93/246150493.db2.gz GLDJMBQROQYNKJ-HOTGVXAUSA-N 1 0 309.454 2.095 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCCC2CC(F)(F)C2)CC1 ZINC000454792851 246158851 /nfs/dbraw/zinc/15/88/51/246158851.db2.gz UJIHKYGGUSFHAS-UHFFFAOYSA-N 1 0 301.381 2.373 10 0 DEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1S(=O)(=O)c1cc(F)ccc1Cl ZINC000097896680 193765534 /nfs/dbraw/zinc/76/55/34/193765534.db2.gz VGRBBXJSDXSQSC-ZJUUUORDSA-N 1 0 320.817 2.227 10 0 DEAERO CCC[NH2+][C@H](Cc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000097915558 193766332 /nfs/dbraw/zinc/76/63/32/193766332.db2.gz HBVXPNBGXYSZQU-IUODEOHRSA-N 1 0 317.401 2.310 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000032665092 182654072 /nfs/dbraw/zinc/65/40/72/182654072.db2.gz RXOBRNFWZNIDLM-LBPRGKRZSA-N 1 0 324.421 2.173 10 0 DEAERO C[NH+](C)CC(C)(C)NC(=O)NCc1ccccc1-n1cccn1 ZINC000458086089 248140792 /nfs/dbraw/zinc/14/07/92/248140792.db2.gz WLOPKOSGBWKRGU-UHFFFAOYSA-N 1 0 315.421 2.012 10 0 DEAERO COC(=O)c1c(NC(=O)[C@](C)([NH3+])C2CC2)sc2c1CCC2 ZINC000040858904 183142776 /nfs/dbraw/zinc/14/27/76/183142776.db2.gz ZFZDAGZXDBCSCX-OAHLLOKOSA-N 1 0 308.403 2.089 10 0 DEAERO CC(C)[C@H]([NH3+])C(=O)NCc1cc(Br)ccc1F ZINC000041069501 183162335 /nfs/dbraw/zinc/16/23/35/183162335.db2.gz VIQFOKAMOMTGMW-NSHDSACASA-N 1 0 303.175 2.188 10 0 DEAERO COc1ccc2c(NCCN3CCOCC3)cc(C)[nH+]c2c1 ZINC000041474090 183193954 /nfs/dbraw/zinc/19/39/54/183193954.db2.gz IQSJEIJUCPOQLV-UHFFFAOYSA-N 1 0 301.390 2.296 10 0 DEAERO CCCc1ccccc1NC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000041604802 183209666 /nfs/dbraw/zinc/20/96/66/183209666.db2.gz RKTLRMUJSXVAQR-CQSZACIVSA-N 1 0 319.449 2.424 10 0 DEAERO O[C@@H](C[NH2+]CCc1ccc(Cl)cc1)COC[C@@H]1CCCO1 ZINC000042258298 183247531 /nfs/dbraw/zinc/24/75/31/183247531.db2.gz SXUDDNDAMNTEQN-HOTGVXAUSA-N 1 0 313.825 2.029 10 0 DEAERO CC(C)NC(=O)[C@H](C)Oc1c(Br)cccc1C[NH3+] ZINC000042411325 183265183 /nfs/dbraw/zinc/26/51/83/183265183.db2.gz QCCBUXPWBUZIFG-VIFPVBQESA-N 1 0 315.211 2.200 10 0 DEAERO COc1ccc(CN(C)C[C@@H](C)C(N)=[NH2+])cc1Br ZINC000042459877 183272656 /nfs/dbraw/zinc/27/26/56/183272656.db2.gz HKLVVQFSJSFFFN-SECBINFHSA-N 1 0 314.227 2.462 10 0 DEAERO CCC[NH2+]Cc1c(Cl)cccc1N(C)C[C@H](O)COC ZINC000042511607 183278643 /nfs/dbraw/zinc/27/86/43/183278643.db2.gz KGCBKCIETUEFJZ-LBPRGKRZSA-N 1 0 300.830 2.283 10 0 DEAERO COCC[N@@H+](CC(=O)Nc1ccc(N)cc1Cl)CC(C)C ZINC000042367143 183259689 /nfs/dbraw/zinc/25/96/89/183259689.db2.gz BJNGNBDZKTUZTK-UHFFFAOYSA-N 1 0 313.829 2.465 10 0 DEAERO C[C@@H](C(=O)N(C)C)n1c(N)[nH+]c2cc(Br)ccc21 ZINC000042572403 183285095 /nfs/dbraw/zinc/28/50/95/183285095.db2.gz HJLQLSTVSGAFLW-ZETCQYMHSA-N 1 0 311.183 2.030 10 0 DEAERO C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000042609388 183290256 /nfs/dbraw/zinc/29/02/56/183290256.db2.gz WMXOBAYXWIXSBU-XJKSGUPXSA-N 1 0 310.463 2.486 10 0 DEAERO CCN([C@H](C)COC)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000042743070 183304216 /nfs/dbraw/zinc/30/42/16/183304216.db2.gz VIUMHEQWSDOOLR-MFKMUULPSA-N 1 0 314.813 2.425 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CCO)C1CC1 ZINC000042955258 183321587 /nfs/dbraw/zinc/32/15/87/183321587.db2.gz XFXYQNWGWOOAII-QMTHXVAHSA-N 1 0 313.239 2.294 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCC[C@@H]1CO ZINC000042954165 183322333 /nfs/dbraw/zinc/32/23/33/183322333.db2.gz TWZNSLWZAOXJAI-GDLCADMTSA-N 1 0 313.239 2.294 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCN(C(C)=O)CC1 ZINC000042975052 183325159 /nfs/dbraw/zinc/32/51/59/183325159.db2.gz GEVINLHCOPPAMS-JKSUJKDBSA-N 1 0 309.841 2.283 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCCC[C@@H]1C(N)=O ZINC000043015843 183327859 /nfs/dbraw/zinc/32/78/59/183327859.db2.gz RVYCIOCETNYYOA-RBSFLKMASA-N 1 0 309.841 2.458 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1cccc(Cl)c1 ZINC000043019670 183328526 /nfs/dbraw/zinc/32/85/26/183328526.db2.gz JJGZQJFZIQHVGX-MADCSZMMSA-N 1 0 309.826 2.475 10 0 DEAERO COCCN(C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021241 183329394 /nfs/dbraw/zinc/32/93/94/183329394.db2.gz QBJUTIKQBFNLNR-ZWNOBZJWSA-N 1 0 301.228 2.416 10 0 DEAERO CC(C)N(CCO)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021706 183329414 /nfs/dbraw/zinc/32/94/14/183329414.db2.gz JHJGRGGLWGXVBV-ZDUSSCGKSA-N 1 0 301.228 2.152 10 0 DEAERO CCCN(CCO)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000043286606 183350689 /nfs/dbraw/zinc/35/06/89/183350689.db2.gz JKCQUFIBVJBYDE-SNVBAGLBSA-N 1 0 307.257 2.215 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCN(C)CC1 ZINC000043284399 183350846 /nfs/dbraw/zinc/35/08/46/183350846.db2.gz UVZPUVAQXAQHLZ-BXKDBHETSA-N 1 0 318.284 2.146 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N(CCO)C1CC1 ZINC000043287383 183351266 /nfs/dbraw/zinc/35/12/66/183351266.db2.gz YIWDVUJNEWFFES-PELKAZGASA-N 1 0 319.268 2.356 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cc(Br)cs1)n1cncn1 ZINC000043287840 183351503 /nfs/dbraw/zinc/35/15/03/183351503.db2.gz MZJOYSWIRIBHMQ-WCBMZHEXSA-N 1 0 301.213 2.429 10 0 DEAERO C[NH2+][C@H](c1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300613 183352068 /nfs/dbraw/zinc/35/20/68/183352068.db2.gz XKYIMTOWHQBLNW-CMPLNLGQSA-N 1 0 323.336 2.280 10 0 DEAERO C[NH2+][C@H](c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000043300417 183352725 /nfs/dbraw/zinc/35/27/25/183352725.db2.gz MMIPAHJMZRJOBK-SKDRFNHKSA-N 1 0 318.236 2.144 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1nnnn1C1CCCC1)c1ccncc1 ZINC000043363182 183357314 /nfs/dbraw/zinc/35/73/14/183357314.db2.gz WXBRMQLORXIMMS-GXFFZTMASA-N 1 0 304.423 2.364 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N1CCC[C@@H]1CO ZINC000043092534 183335732 /nfs/dbraw/zinc/33/57/32/183335732.db2.gz UONQVLVJYBOGAZ-JTNHKYCSSA-N 1 0 313.239 2.294 10 0 DEAERO CCN(CCO)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043092361 183335778 /nfs/dbraw/zinc/33/57/78/183335778.db2.gz GHYGLRYMJGCERI-ZWNOBZJWSA-N 1 0 301.228 2.152 10 0 DEAERO Brc1ccccc1SCCN1CC[NH2+]CC1 ZINC000043500578 183367265 /nfs/dbraw/zinc/36/72/65/183367265.db2.gz XUAAERKHZJMBIT-UHFFFAOYSA-N 1 0 301.253 2.446 10 0 DEAERO C[C@@H]1CC(=O)N(C[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1=O ZINC000043513044 183369361 /nfs/dbraw/zinc/36/93/61/183369361.db2.gz AYWWYLZGZHJAAV-LDYMZIIASA-N 1 0 300.280 2.100 10 0 DEAERO CC[NH2+][C@@](C)(CCCCN(CC(F)(F)F)C(C)C)C(N)=O ZINC000045420495 183505589 /nfs/dbraw/zinc/50/55/89/183505589.db2.gz MCXQXYNCENVTMD-ZDUSSCGKSA-N 1 0 311.392 2.283 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000045544998 183515065 /nfs/dbraw/zinc/51/50/65/183515065.db2.gz DPIRDIDJZBOWFD-ZDUSSCGKSA-N 1 0 323.437 2.406 10 0 DEAERO Cn1nccc1[C@H]1[C@H]([NH2+]C2CC(c3ccccc3)C2)CC(=O)N1C ZINC000284480995 218045670 /nfs/dbraw/zinc/04/56/70/218045670.db2.gz ATSQSEKAWRBPEK-YBSITQRDSA-N 1 0 324.428 2.228 10 0 DEAERO CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+](C)C(C)C ZINC000104882759 194049858 /nfs/dbraw/zinc/04/98/58/194049858.db2.gz RVHKYVACIDAHGM-ZDUSSCGKSA-N 1 0 315.458 2.136 10 0 DEAERO c1[nH]nc2cccc(-c3nc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)no3)c12 ZINC000273924018 211180049 /nfs/dbraw/zinc/18/00/49/211180049.db2.gz IGBFJYZOWXGOHV-HZMBPMFUSA-N 1 0 311.345 2.149 10 0 DEAERO Cc1ccc(OCCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000105076510 194069892 /nfs/dbraw/zinc/06/98/92/194069892.db2.gz PQWFKQBDAIOHHE-INIZCTEOSA-N 1 0 317.433 2.254 10 0 DEAERO COc1cc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1C ZINC000105179354 194082747 /nfs/dbraw/zinc/08/27/47/194082747.db2.gz YKODKRMOAMEVKZ-INIZCTEOSA-N 1 0 317.433 2.383 10 0 DEAERO C[C@H](C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2)N1CCOCC1 ZINC000105416695 194103510 /nfs/dbraw/zinc/10/35/10/194103510.db2.gz AKDSSKSPGRXDFV-CQSZACIVSA-N 1 0 304.434 2.210 10 0 DEAERO Clc1ccc(C2CC([NH2+][C@H]3COC[C@H]3n3ccnn3)C2)cc1 ZINC000284884682 218221832 /nfs/dbraw/zinc/22/18/32/218221832.db2.gz SOOAOGBTPDHOHA-DISOXQEGSA-N 1 0 318.808 2.407 10 0 DEAERO CC[C@@H](c1ccccc1)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000105817415 194135568 /nfs/dbraw/zinc/13/55/68/194135568.db2.gz BAHHISKJDXACKQ-INIZCTEOSA-N 1 0 322.416 2.398 10 0 DEAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2ccccc2)C[C@@H]1CC ZINC000105837711 194144205 /nfs/dbraw/zinc/14/42/05/194144205.db2.gz RJFMKSIFSYCLBN-KRWDZBQOSA-N 1 0 319.449 2.058 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]CCn2cc(C)cn2)c1 ZINC000105881257 194156011 /nfs/dbraw/zinc/15/60/11/194156011.db2.gz VQNQYLVNUUVWKS-CYBMUJFWSA-N 1 0 314.389 2.011 10 0 DEAERO O[C@@H](C[N@@H+]1CCC[C@H](n2cncn2)C1)c1ccccc1Cl ZINC000105898848 194163910 /nfs/dbraw/zinc/16/39/10/194163910.db2.gz BELCGTSJPQFTIB-WFASDCNBSA-N 1 0 306.797 2.302 10 0 DEAERO CC[C@@H]1CN(Cc2cc(-c3ccco3)on2)CC[N@@H+]1C[C@@H](C)O ZINC000105912974 194169291 /nfs/dbraw/zinc/16/92/91/194169291.db2.gz BWHHUNPDIYSXRN-UKRRQHHQSA-N 1 0 319.405 2.212 10 0 DEAERO CN(CCc1ccncc1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106434602 194213669 /nfs/dbraw/zinc/21/36/69/194213669.db2.gz HTWVQOLXLYXLEN-SFHVURJKSA-N 1 0 311.429 2.255 10 0 DEAERO CCC[C@H](C)NC(=O)COc1c(Cl)cc(C[NH3+])cc1OC ZINC000049287166 183724179 /nfs/dbraw/zinc/72/41/79/183724179.db2.gz VJRDVJGDPDDUNH-JTQLQIEISA-N 1 0 314.813 2.491 10 0 DEAERO Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000049558182 183741711 /nfs/dbraw/zinc/74/17/11/183741711.db2.gz NCUSKJOTVMCRFJ-ZDUSSCGKSA-N 1 0 304.415 2.493 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CCc2ccc(F)cc21 ZINC000533812684 284807666 /nfs/dbraw/zinc/80/76/66/284807666.db2.gz KRXBANQYLSTWDU-MRXNPFEDSA-N 1 0 314.364 2.041 10 0 DEAERO CN(Cc1cccc(Cl)c1)S(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000049644569 183751337 /nfs/dbraw/zinc/75/13/37/183751337.db2.gz NNSRBLXMRJGPNJ-ZDUSSCGKSA-N 1 0 316.854 2.101 10 0 DEAERO CCCN(C(C)(C)C[NH3+])S(=O)(=O)c1cc(F)ccc1F ZINC000050093361 183772565 /nfs/dbraw/zinc/77/25/65/183772565.db2.gz DJFCPDNTWWJIRR-UHFFFAOYSA-N 1 0 306.378 2.103 10 0 DEAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)S(=O)(=O)C2CCCCC2)C1 ZINC000050092925 183772620 /nfs/dbraw/zinc/77/26/20/183772620.db2.gz JZAIKAKURCSRHR-HIFRSBDPSA-N 1 0 302.484 2.488 10 0 DEAERO CN(CC(=O)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000050158716 183775062 /nfs/dbraw/zinc/77/50/62/183775062.db2.gz IAVDWRLOWNFDFE-UHFFFAOYSA-N 1 0 311.223 2.316 10 0 DEAERO C[C@H](C(N)=S)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000109471119 194266554 /nfs/dbraw/zinc/26/65/54/194266554.db2.gz PRORYEFZHFUCML-GFCCVEGCSA-N 1 0 300.431 2.031 10 0 DEAERO COc1ccc(Cl)cc1CN1CCN(C(C)(C)C[NH3+])CC1 ZINC000109463676 194266051 /nfs/dbraw/zinc/26/60/51/194266051.db2.gz XJWSVQVQEMBCDQ-UHFFFAOYSA-N 1 0 311.857 2.204 10 0 DEAERO C[C@@H](c1noc(-c2c(F)cccc2Cl)n1)N1CC[NH2+]CC1 ZINC000109473750 194267736 /nfs/dbraw/zinc/26/77/36/194267736.db2.gz ATQUJDZQEKKACC-VIFPVBQESA-N 1 0 310.760 2.495 10 0 DEAERO c1sc2ccccc2c1-c1nc(CN2CC[NH2+]CC2)no1 ZINC000109473517 194267824 /nfs/dbraw/zinc/26/78/24/194267824.db2.gz UNWOCAZDSJGHEQ-UHFFFAOYSA-N 1 0 300.387 2.357 10 0 DEAERO Cc1ncc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)s1 ZINC000109756051 194283667 /nfs/dbraw/zinc/28/36/67/194283667.db2.gz AYGZTURYMZQJKF-OAHLLOKOSA-N 1 0 308.495 2.053 10 0 DEAERO NC(=O)c1ccc(OC[C@@H]2CCCC[NH2+]2)cc1C(F)(F)F ZINC000051883345 183840334 /nfs/dbraw/zinc/84/03/34/183840334.db2.gz ZLPDQXIIRQNDKY-VIFPVBQESA-N 1 0 302.296 2.325 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000109808555 194288693 /nfs/dbraw/zinc/28/86/93/194288693.db2.gz DPTSQMFSZHHHBW-UXLLHSPISA-N 1 0 303.450 2.278 10 0 DEAERO C[C@H]1C[N@H+](C)CC[C@@H]1NC(=O)c1nc(Cl)ccc1Cl ZINC000052195603 183854046 /nfs/dbraw/zinc/85/40/46/183854046.db2.gz FIRHBEGZDQHQSL-WPRPVWTQSA-N 1 0 302.205 2.458 10 0 DEAERO C[NH2+]C[C@@H](Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000052949735 183881532 /nfs/dbraw/zinc/88/15/32/183881532.db2.gz FQCOVRZZSAPEOG-CHWSQXEVSA-N 1 0 301.839 2.153 10 0 DEAERO C[NH+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C(N)=S)C1 ZINC000110278263 194318998 /nfs/dbraw/zinc/31/89/98/194318998.db2.gz FXHQIVYBULWLBQ-SNVBAGLBSA-N 1 0 317.380 2.480 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCNC(=O)C1(C)C ZINC000110653680 194347572 /nfs/dbraw/zinc/34/75/72/194347572.db2.gz AYHPTHQIWDEKKI-KGLIPLIRSA-N 1 0 309.841 2.329 10 0 DEAERO CC(C)[NH2+]CCNC(=O)c1ccc(Br)c(F)c1 ZINC000054264537 183931893 /nfs/dbraw/zinc/93/18/93/183931893.db2.gz RXYFSELUKFORIZ-UHFFFAOYSA-N 1 0 303.175 2.316 10 0 DEAERO COc1ccc([C@@H](C[NH3+])N2CCCOCC2)c(Cl)c1OC ZINC000110829615 194362104 /nfs/dbraw/zinc/36/21/04/194362104.db2.gz UZPQUNBSIUKXKT-GFCCVEGCSA-N 1 0 314.813 2.079 10 0 DEAERO CC[C@@H]1CN(Cc2nc3sccc3c(NC)n2)CC[N@@H+]1C ZINC000110742970 194357286 /nfs/dbraw/zinc/35/72/86/194357286.db2.gz YADOISIDVZPYGX-LLVKDONJSA-N 1 0 305.451 2.259 10 0 DEAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(C)ccc1F ZINC000110942522 194372598 /nfs/dbraw/zinc/37/25/98/194372598.db2.gz IRKVFCQAUBPGEC-ZDUSSCGKSA-N 1 0 314.426 2.287 10 0 DEAERO CCN(c1ccccc1S(=O)(=O)C(F)F)[C@H]1CCC[NH2+]C1 ZINC000110947375 194372866 /nfs/dbraw/zinc/37/28/66/194372866.db2.gz IJVWMBKBJQSFSV-NSHDSACASA-N 1 0 318.389 2.261 10 0 DEAERO CC[C@@H]([NH3+])[C@H](SCCS(C)(=O)=O)c1ccccc1F ZINC000111004254 194381309 /nfs/dbraw/zinc/38/13/09/194381309.db2.gz NHGNJWFJUIAVCD-CHWSQXEVSA-N 1 0 305.440 2.382 10 0 DEAERO CCC[NH2+]Cc1nnnn1-c1ccc(F)cc1Br ZINC000054744972 183949888 /nfs/dbraw/zinc/94/98/88/183949888.db2.gz AOOFKPREYCWTGV-UHFFFAOYSA-N 1 0 314.162 2.064 10 0 DEAERO CCOCC[N@H+](CC)CCCC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000111121808 194392498 /nfs/dbraw/zinc/39/24/98/194392498.db2.gz YUPTYIJQDZSDKJ-MRXNPFEDSA-N 1 0 302.459 2.356 10 0 DEAERO C[N@@H+](CC(=O)Nc1cc(N)ccc1Cl)CC1CCOCC1 ZINC000111156597 194396545 /nfs/dbraw/zinc/39/65/45/194396545.db2.gz YOXHRIYKUTZNIA-UHFFFAOYSA-N 1 0 311.813 2.219 10 0 DEAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)[C@@H](C)CCSC)C1(C)C ZINC000157701319 197208442 /nfs/dbraw/zinc/20/84/42/197208442.db2.gz XFEDPNUVXCDLLN-YWPYICTPSA-N 1 0 302.484 2.119 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(F)ccc1F ZINC000058561917 184122922 /nfs/dbraw/zinc/12/29/22/184122922.db2.gz TZYKQRKATCNMCR-NSHDSACASA-N 1 0 318.389 2.118 10 0 DEAERO CN(C)C(=O)c1cccc(CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061040742 184160406 /nfs/dbraw/zinc/16/04/06/184160406.db2.gz HSHZWWJBPLZDKV-UHFFFAOYSA-N 1 0 301.434 2.059 10 0 DEAERO O=S(=O)(CCC1CC[NH2+]CC1)Nc1cc(F)c(F)cc1F ZINC000061094605 184162147 /nfs/dbraw/zinc/16/21/47/184162147.db2.gz ZRZLPGKQWHXGOJ-UHFFFAOYSA-N 1 0 322.352 2.235 10 0 DEAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1cc(Br)cs1 ZINC000061317370 184168512 /nfs/dbraw/zinc/16/85/12/184168512.db2.gz NQZPBVZQKRTRJE-UHFFFAOYSA-N 1 0 305.241 2.467 10 0 DEAERO Brc1ccc(-c2nnc(CC[NH2+]C3CC3)o2)nc1 ZINC000061871438 184190418 /nfs/dbraw/zinc/19/04/18/184190418.db2.gz WZFAYUCVTSTWQY-UHFFFAOYSA-N 1 0 309.167 2.189 10 0 DEAERO CCN(CC)c1nc(Cl)nc(N[C@@H](C)C[NH+]2CCCC2)n1 ZINC000061539163 184172782 /nfs/dbraw/zinc/17/27/82/184172782.db2.gz XVFXWHWAJSDKTM-NSHDSACASA-N 1 0 312.849 2.267 10 0 DEAERO CCCOc1nc(Cl)nc(N[C@@H](C)C[NH+](CC)CC)n1 ZINC000061541583 184174042 /nfs/dbraw/zinc/17/40/42/184174042.db2.gz INPUMCCQONWPKM-JTQLQIEISA-N 1 0 301.822 2.456 10 0 DEAERO CC[NH+](CC)C[C@H](C)Nc1nc(Cl)nc(OC(C)C)n1 ZINC000061541588 184174058 /nfs/dbraw/zinc/17/40/58/184174058.db2.gz YKGLNKSUCBYPNI-JTQLQIEISA-N 1 0 301.822 2.454 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1ccc(Cl)s1 ZINC000061592519 184175624 /nfs/dbraw/zinc/17/56/24/184175624.db2.gz AAVWTZPJTUMLDS-IMTBSYHQSA-N 1 0 318.855 2.394 10 0 DEAERO CC(C)n1c(S[C@H](c2ccccc2F)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595226 184176416 /nfs/dbraw/zinc/17/64/16/184176416.db2.gz QJEVBUYMDWAIQW-SKDRFNHKSA-N 1 0 310.398 2.472 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C(C)C)c1cccnc1 ZINC000061595269 184176503 /nfs/dbraw/zinc/17/65/03/184176503.db2.gz FDKYDTMVRTXFSQ-NWDGAFQWSA-N 1 0 307.423 2.118 10 0 DEAERO CC(C)n1c(S[C@@H](c2ccccc2F)[C@H](C)[NH3+])n[nH]c1=O ZINC000061595227 184176690 /nfs/dbraw/zinc/17/66/90/184176690.db2.gz QJEVBUYMDWAIQW-JOYOIKCWSA-N 1 0 310.398 2.472 10 0 DEAERO CCC(=O)Nc1cccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061604268 184176870 /nfs/dbraw/zinc/17/68/70/184176870.db2.gz MWYBEXJTVFLOQQ-UHFFFAOYSA-N 1 0 315.417 2.345 10 0 DEAERO O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604940 184177607 /nfs/dbraw/zinc/17/76/07/184177607.db2.gz HKCCHFYCVDQFIB-XVNBXDOJSA-N 1 0 312.413 2.331 10 0 DEAERO CCC[C@H]1CC[C@H]([NH3+])[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061941076 184197418 /nfs/dbraw/zinc/19/74/18/184197418.db2.gz AZZVABOFYQDCBY-MELADBBJSA-N 1 0 307.404 2.462 10 0 DEAERO CCC[NH2+][C@@H]1CCCC[C@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941295 184197465 /nfs/dbraw/zinc/19/74/65/184197465.db2.gz PLPCPWZNBKOAMN-ZIAGYGMSSA-N 1 0 307.404 2.477 10 0 DEAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061941063 184197500 /nfs/dbraw/zinc/19/75/00/184197500.db2.gz BGKWCNRTJTUAFW-HZSPNIEDSA-N 1 0 307.404 2.333 10 0 DEAERO C[NH2+][C@@H]1CCCCC[C@@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000061947736 184197738 /nfs/dbraw/zinc/19/77/38/184197738.db2.gz MRSHISGUQDKDLR-ZIAGYGMSSA-N 1 0 307.404 2.335 10 0 DEAERO CC[NH2+][C@@H]1CCCC[C@@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000061947760 184198150 /nfs/dbraw/zinc/19/81/50/184198150.db2.gz WACWTWHFDHFEKA-ZIAGYGMSSA-N 1 0 307.404 2.335 10 0 DEAERO CC[NH2+]Cc1cc(Br)cnc1N(C)CCCOC ZINC000062035886 184202675 /nfs/dbraw/zinc/20/26/75/184202675.db2.gz PJVNJYXFWBVTBY-UHFFFAOYSA-N 1 0 316.243 2.426 10 0 DEAERO COc1cc(CNc2[nH+]c(C)cc(C)c2C(N)=S)ccn1 ZINC000062057173 184203370 /nfs/dbraw/zinc/20/33/70/184203370.db2.gz AVAZNUZXLHMNIV-UHFFFAOYSA-N 1 0 302.403 2.348 10 0 DEAERO CC(C)N1C(=O)CC[C@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000062211599 184221516 /nfs/dbraw/zinc/22/15/16/184221516.db2.gz LXJQOPFMWPHTAJ-UFBFGSQYSA-N 1 0 301.184 2.441 10 0 DEAERO CS(=O)(=O)c1cccc([C@H]([NH3+])c2ccc3c(c2)COC3)c1 ZINC000062332379 184230990 /nfs/dbraw/zinc/23/09/90/184230990.db2.gz FBXGAVMNZYJGRI-INIZCTEOSA-N 1 0 303.383 2.168 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062857138 184256967 /nfs/dbraw/zinc/25/69/67/184256967.db2.gz CQOYLBCSZYWDLV-CYBMUJFWSA-N 1 0 310.360 2.194 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000062895551 184259042 /nfs/dbraw/zinc/25/90/42/184259042.db2.gz CHNQIDRLKINSBG-ZDUSSCGKSA-N 1 0 310.360 2.194 10 0 DEAERO Brc1ccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)cc1 ZINC000062669862 184247382 /nfs/dbraw/zinc/24/73/82/184247382.db2.gz CVTPQVPMWINKCZ-UHFFFAOYSA-N 1 0 307.195 2.249 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000063214087 184278774 /nfs/dbraw/zinc/27/87/74/184278774.db2.gz IFQKPKNTVCYKSV-RYUDHWBXSA-N 1 0 302.465 2.249 10 0 DEAERO C[C@@H]1[NH2+]CCCN(Cc2ccc(F)c(Br)c2)C1=O ZINC000063215234 184279092 /nfs/dbraw/zinc/27/90/92/184279092.db2.gz HLXLKVIDCXCNKD-VIFPVBQESA-N 1 0 315.186 2.299 10 0 DEAERO CC[NH2+][C@@H](C)CCc1ccc(OCCCS(C)(=O)=O)cc1 ZINC000063014368 184266447 /nfs/dbraw/zinc/26/64/47/184266447.db2.gz ZACKYBPQFYUEPC-AWEZNQCLSA-N 1 0 313.463 2.431 10 0 DEAERO C[NH2+][C@H](C)c1cc(Cl)ccc1OCCCS(C)(=O)=O ZINC000063014450 184266677 /nfs/dbraw/zinc/26/66/77/184266677.db2.gz ARWMYWNVZYJPSB-SNVBAGLBSA-N 1 0 305.827 2.434 10 0 DEAERO CC[NH2+]C[C@H](CCCS(C)(=O)=O)Cc1ccc(OC)cc1 ZINC000063018247 184267552 /nfs/dbraw/zinc/26/75/52/184267552.db2.gz FFENBBKHUWIDOG-OAHLLOKOSA-N 1 0 313.463 2.288 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC(F)(F)F)cc1 ZINC000063101539 184270667 /nfs/dbraw/zinc/27/06/67/184270667.db2.gz SCBYKHAUICYLQR-VIFPVBQESA-N 1 0 310.341 2.198 10 0 DEAERO CS(=O)(=O)c1ccc(SCc2cc[nH+]c(NN)c2)cc1 ZINC000063131987 184272280 /nfs/dbraw/zinc/27/22/80/184272280.db2.gz WRAMPLZESMCNLZ-UHFFFAOYSA-N 1 0 309.416 2.063 10 0 DEAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000063138764 184273389 /nfs/dbraw/zinc/27/33/89/184273389.db2.gz HCVKGQGSYQOGLO-MRXNPFEDSA-N 1 0 310.463 2.226 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)cn1C1CC1 ZINC000063172558 184276042 /nfs/dbraw/zinc/27/60/42/184276042.db2.gz IMGMQQQZVDLUQG-MNOVXSKESA-N 1 0 312.211 2.195 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)c(F)c1 ZINC000063171972 184276083 /nfs/dbraw/zinc/27/60/83/184276083.db2.gz ALNDGDXNPMUYGN-MNOVXSKESA-N 1 0 301.159 2.198 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000063175987 184276623 /nfs/dbraw/zinc/27/66/23/184276623.db2.gz JUUCLPUXPDXWMJ-MNOVXSKESA-N 1 0 309.218 2.152 10 0 DEAERO CCc1ncc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)s1 ZINC000554936452 291783976 /nfs/dbraw/zinc/78/39/76/291783976.db2.gz QRODCIMKHDZVMR-WFASDCNBSA-N 1 0 310.463 2.363 10 0 DEAERO c1cc(CN2CCCC3(CC[NH+](C[C@@H]4CCCO4)CC3)C2)n[nH]1 ZINC000063526977 184284791 /nfs/dbraw/zinc/28/47/91/184284791.db2.gz XSGCMGQMXXYMNR-KRWDZBQOSA-N 1 0 318.465 2.267 10 0 DEAERO CCS(=O)(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000064951152 184306669 /nfs/dbraw/zinc/30/66/69/184306669.db2.gz RPIUINDNEKLSDN-UHFFFAOYSA-N 1 0 313.419 2.280 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(s1)CN(C1CC1)C2 ZINC000065238844 184317021 /nfs/dbraw/zinc/31/70/21/184317021.db2.gz IMBABAIXUPGHJC-AWEZNQCLSA-N 1 0 319.474 2.440 10 0 DEAERO O=C([C@@H]1CCC[NH2+]C1)N1CCCn2cc(-c3ccccc3)nc21 ZINC000065259487 184319159 /nfs/dbraw/zinc/31/91/59/184319159.db2.gz WQMSYLBCWWSRLV-OAHLLOKOSA-N 1 0 310.401 2.286 10 0 DEAERO COc1ccc([C@H]2NCCc3nc[nH]c32)cc1C[NH+]1CCCC1 ZINC000065408283 184339580 /nfs/dbraw/zinc/33/95/80/184339580.db2.gz UXTZQWBOZSHQKE-QGZVFWFLSA-N 1 0 312.417 2.249 10 0 DEAERO CC[C@H](C)N(C)S(=O)(=O)c1cc(C)c(F)c(C[NH2+]C)c1 ZINC000159065676 197323489 /nfs/dbraw/zinc/32/34/89/197323489.db2.gz QGIYSLARDNRQJV-NSHDSACASA-N 1 0 302.415 2.273 10 0 DEAERO CC(C)c1ccc([C@H](C)[NH2+]CCCN2C(=O)CNC2=O)cc1 ZINC000066411314 184407025 /nfs/dbraw/zinc/40/70/25/184407025.db2.gz CGTJUVHJIYWGDL-ZDUSSCGKSA-N 1 0 303.406 2.403 10 0 DEAERO OCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000188002826 207369719 /nfs/dbraw/zinc/36/97/19/207369719.db2.gz KKMDDVQDXHUNDT-WMZOPIPTSA-N 1 0 303.450 2.187 10 0 DEAERO C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188003053 207369758 /nfs/dbraw/zinc/36/97/58/207369758.db2.gz VVKIHWQIBZVLET-CZUORRHYSA-N 1 0 302.418 2.494 10 0 DEAERO C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1ccc(Br)cc1 ZINC000160059735 197383033 /nfs/dbraw/zinc/38/30/33/197383033.db2.gz UHQPISRZKMXGIO-CWSCBRNRSA-N 1 0 311.223 2.482 10 0 DEAERO COC(=O)[C@H](c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000117879357 194854960 /nfs/dbraw/zinc/85/49/60/194854960.db2.gz NFJZMGHOHVVYRM-KRWDZBQOSA-N 1 0 302.418 2.461 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000538315514 285031367 /nfs/dbraw/zinc/03/13/67/285031367.db2.gz JRMHJUSDNJIQNA-QGZVFWFLSA-N 1 0 320.433 2.268 10 0 DEAERO CC1=NN(c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2)CC1 ZINC000539416456 285076723 /nfs/dbraw/zinc/07/67/23/285076723.db2.gz QROWZXKRCYYWHJ-UHFFFAOYSA-N 1 0 302.422 2.296 10 0 DEAERO C[C@@H]1CCCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000127868086 296369490 /nfs/dbraw/zinc/36/94/90/296369490.db2.gz XQFQYOZWZRTGJZ-PMPSAXMXSA-N 1 0 304.438 2.215 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cn[nH]c1 ZINC000270371003 208449238 /nfs/dbraw/zinc/44/92/38/208449238.db2.gz TYQMHRSDHPWREZ-DZGCQCFKSA-N 1 0 305.426 2.131 10 0 DEAERO O=c1c2ccccc2sn1-c1cnn(C2CC[NH2+]CC2)c1 ZINC000159215629 197337455 /nfs/dbraw/zinc/33/74/55/197337455.db2.gz DLZHCKQHSCKKAV-UHFFFAOYSA-N 1 0 300.387 2.173 10 0 DEAERO CCOc1ccc2[nH]c(SC[C@@H]([NH3+])[C@@H]3CCOC3)nc2c1 ZINC000159210782 197335858 /nfs/dbraw/zinc/33/58/58/197335858.db2.gz XZIZBULESYSEFP-ZYHUDNBSSA-N 1 0 307.419 2.418 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000159110039 197328821 /nfs/dbraw/zinc/32/88/21/197328821.db2.gz ADAKGVOFVKZMRP-NSHDSACASA-N 1 0 306.284 2.278 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N[C@H]2CC2(C)C)cc(C)c1F ZINC000159103769 197327642 /nfs/dbraw/zinc/32/76/42/197327642.db2.gz WPRHTRNOJRTPCU-ZDUSSCGKSA-N 1 0 314.426 2.320 10 0 DEAERO COc1cc2c(cc1[C@@H](C[NH3+])NCC(F)(F)F)O[C@H](C)C2 ZINC000159065641 197323891 /nfs/dbraw/zinc/32/38/91/197323891.db2.gz DMRIWGWPBVMTNT-LDYMZIIASA-N 1 0 304.312 2.170 10 0 DEAERO COc1cc2c(cc1[C@H](C[NH3+])NCC(F)(F)F)O[C@H](C)C2 ZINC000159065931 197323696 /nfs/dbraw/zinc/32/36/96/197323696.db2.gz DMRIWGWPBVMTNT-KCJUWKMLSA-N 1 0 304.312 2.170 10 0 DEAERO CC[NH2+][C@H](C[S@@](=O)c1ccc(F)c(F)c1)[C@@H]1CCOC1 ZINC000159045966 197322071 /nfs/dbraw/zinc/32/20/71/197322071.db2.gz ANOSUXCCWCQBHE-JTBRIISXSA-N 1 0 303.374 2.087 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000540516081 285119410 /nfs/dbraw/zinc/11/94/10/285119410.db2.gz MJEROWQSAMETIP-UHFFFAOYSA-N 1 0 318.339 2.494 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000540515525 285119442 /nfs/dbraw/zinc/11/94/42/285119442.db2.gz HVUIZUFNIZSBBX-UHFFFAOYSA-N 1 0 320.433 2.146 10 0 DEAERO CC(C)[NH2+][C@@H]1CCN(c2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000159003016 197317814 /nfs/dbraw/zinc/31/78/14/197317814.db2.gz KBNCOJXENMBLSK-ZCFIWIBFSA-N 1 0 308.250 2.485 10 0 DEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1c(F)c(F)c(F)c(F)c1F ZINC000159002730 197317975 /nfs/dbraw/zinc/31/79/75/197317975.db2.gz PZWGNDBVOIHIAE-LURJTMIESA-N 1 0 306.234 2.239 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)C1CCOCC1)C1CCCCC1 ZINC000158873087 197307027 /nfs/dbraw/zinc/30/70/27/197307027.db2.gz LTXRFNVZIHDNEE-HNNXBMFYSA-N 1 0 303.468 2.139 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000158908252 197310821 /nfs/dbraw/zinc/31/08/21/197310821.db2.gz ZMWRGCTVBQWAMJ-PBHICJAKSA-N 1 0 312.417 2.331 10 0 DEAERO CC1(C)CN([C@@H](C[NH3+])c2ccc3c(c2)OCCO3)CCS1 ZINC000158669419 197292505 /nfs/dbraw/zinc/29/25/05/197292505.db2.gz QRCXUBUIRJWZMK-ZDUSSCGKSA-N 1 0 308.447 2.285 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c(C)s1 ZINC000158775439 197300416 /nfs/dbraw/zinc/30/04/16/197300416.db2.gz XKGXRZHMQMPTDT-TXEJJXNPSA-N 1 0 314.476 2.197 10 0 DEAERO Cc1c(F)cc(C[NH3+])cc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000158767385 197300247 /nfs/dbraw/zinc/30/02/47/197300247.db2.gz RZQHMLIQEXUZMY-BETUJISGSA-N 1 0 312.410 2.013 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c(C)o1 ZINC000158774422 197300337 /nfs/dbraw/zinc/30/03/37/197300337.db2.gz PEITUMHDYLLNQO-STQMWFEESA-N 1 0 312.435 2.118 10 0 DEAERO Cc1c(F)cc(C[NH3+])cc1S(=O)(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000158767540 197299895 /nfs/dbraw/zinc/29/98/95/197299895.db2.gz RZQHMLIQEXUZMY-CHWSQXEVSA-N 1 0 312.410 2.013 10 0 DEAERO CC[NH2+]Cc1csc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000158746326 197298198 /nfs/dbraw/zinc/29/81/98/197298198.db2.gz RMGKYODMWKLMFG-BETUJISGSA-N 1 0 314.476 2.278 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3F)CC[C@@H]21 ZINC000158701563 197296098 /nfs/dbraw/zinc/29/60/98/197296098.db2.gz MBQGCNRQBZSLKU-CJNGLKHVSA-N 1 0 305.397 2.180 10 0 DEAERO COC[C@@H](O)C[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000540822528 285128738 /nfs/dbraw/zinc/12/87/38/285128738.db2.gz HUDZPAVBGCJWBH-INIZCTEOSA-N 1 0 305.418 2.205 10 0 DEAERO C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1cccc(Cl)c1 ZINC000120252286 195128409 /nfs/dbraw/zinc/12/84/09/195128409.db2.gz YUGICVBVFJEFON-NHYWBVRUSA-N 1 0 313.829 2.013 10 0 DEAERO CC[NH2+][C@H](c1cscn1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000158593606 197286926 /nfs/dbraw/zinc/28/69/26/197286926.db2.gz SRCAAKTVDJEEHX-MDZLAQPJSA-N 1 0 302.465 2.397 10 0 DEAERO CC(C)Cn1ncc(C(=O)N(C)CCC[NH+](C)C)c1C1CC1 ZINC000557664703 291874534 /nfs/dbraw/zinc/87/45/34/291874534.db2.gz LEXKUMLXXQIEGC-UHFFFAOYSA-N 1 0 306.454 2.440 10 0 DEAERO CN(c1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000158498102 197278819 /nfs/dbraw/zinc/27/88/19/197278819.db2.gz SABJTAMKPKLDAA-STQMWFEESA-N 1 0 318.389 2.389 10 0 DEAERO COCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000157898963 197224154 /nfs/dbraw/zinc/22/41/54/197224154.db2.gz OCDMONXENZMJGZ-ZWNOBZJWSA-N 1 0 312.410 2.103 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(OC)c(F)c1)[C@@H](C)S(C)(=O)=O ZINC000157283714 197176062 /nfs/dbraw/zinc/17/60/62/197176062.db2.gz GVYJRDSVVTZKHW-RISCZKNCSA-N 1 0 317.426 2.178 10 0 DEAERO C[C@H]1CCC[C@@](CNC(=O)c2nnc(Cl)s2)([NH+](C)C)C1 ZINC000157242971 197172843 /nfs/dbraw/zinc/17/28/43/197172843.db2.gz ZNISBBHWVOARLW-TVQRCGJNSA-N 1 0 316.858 2.432 10 0 DEAERO CC[NH2+]C[C@@](C)(O)COc1c(Br)cccc1OC ZINC000157195585 197168891 /nfs/dbraw/zinc/16/88/91/197168891.db2.gz HDGBIRZYCHCDKD-CYBMUJFWSA-N 1 0 318.211 2.197 10 0 DEAERO C[NH+](C)C1CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000157164913 197167686 /nfs/dbraw/zinc/16/76/86/197167686.db2.gz TVDQWYVFNNSTMG-MRXNPFEDSA-N 1 0 321.852 2.471 10 0 DEAERO CC[NH2+]CCCNC(=O)c1sc2cc(C)nc(C)c2c1N ZINC000157011756 197155334 /nfs/dbraw/zinc/15/53/34/197155334.db2.gz YUPGZWZINCAQTM-UHFFFAOYSA-N 1 0 306.435 2.225 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1nc(SC)ns1 ZINC000156812385 197142395 /nfs/dbraw/zinc/14/23/95/197142395.db2.gz UCCJNDFIPOLOOP-VIFPVBQESA-N 1 0 315.468 2.208 10 0 DEAERO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000156733942 197136993 /nfs/dbraw/zinc/13/69/93/197136993.db2.gz HJITWVGHPKJXJG-ZBFHGGJFSA-N 1 0 312.479 2.425 10 0 DEAERO CS[C@H](C)CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000156659914 197131419 /nfs/dbraw/zinc/13/14/19/197131419.db2.gz TVTIUFKNRWUHAX-LLVKDONJSA-N 1 0 313.442 2.438 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])c2ccnc(C)n2)c1Br ZINC000156519954 197120102 /nfs/dbraw/zinc/12/01/02/197120102.db2.gz RDPSRJUWDTYPAF-SECBINFHSA-N 1 0 324.226 2.086 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000189960981 533146416 /nfs/dbraw/zinc/14/64/16/533146416.db2.gz KEDZJKKRJOGQJX-KGLIPLIRSA-N 1 0 320.437 2.182 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000156286920 197101951 /nfs/dbraw/zinc/10/19/51/197101951.db2.gz ZYQWCFUDCPRGEC-AWEZNQCLSA-N 1 0 321.469 2.039 10 0 DEAERO COc1cccc2sc(C(=O)N3CCC[C@H]([NH3+])C3)c(N)c21 ZINC000156172488 197092152 /nfs/dbraw/zinc/09/21/52/197092152.db2.gz PKXFZRMFVUEKFL-VIFPVBQESA-N 1 0 305.403 2.055 10 0 DEAERO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1NS(C)(=O)=O ZINC000155987895 197078092 /nfs/dbraw/zinc/07/80/92/197078092.db2.gz KYHRYBFQFBOPAY-OCCSQVGLSA-N 1 0 311.451 2.261 10 0 DEAERO O=C(C[NH2+]CC1CC1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000155600725 197071282 /nfs/dbraw/zinc/07/12/82/197071282.db2.gz CXVXIMBCWLFKOL-AWEZNQCLSA-N 1 0 302.374 2.078 10 0 DEAERO CC(C)c1[nH+]c2cc(N)ccc2n1C[C@H]1CCCS1(=O)=O ZINC000155466044 197057691 /nfs/dbraw/zinc/05/76/91/197057691.db2.gz WWKISZKHEGVCLE-GFCCVEGCSA-N 1 0 307.419 2.319 10 0 DEAERO CCC[C@H](C(=O)NCc1nc2cccc(C)c2n1C)[NH+](C)C ZINC000155417587 197053550 /nfs/dbraw/zinc/05/35/50/197053550.db2.gz BXDGMECMUHXWDI-CQSZACIVSA-N 1 0 302.422 2.228 10 0 DEAERO Cc1cc2c(cc1C)O[C@@H](C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C)C2 ZINC000155306152 197042290 /nfs/dbraw/zinc/04/22/90/197042290.db2.gz WEOTUPAZWPOMJE-JKIFEVAISA-N 1 0 302.418 2.158 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)O1 ZINC000154982202 197010356 /nfs/dbraw/zinc/01/03/56/197010356.db2.gz HGNQPLKVTSARRR-PVAVHDDUSA-N 1 0 302.418 2.335 10 0 DEAERO C[C@@H](COc1cccc(F)c1)NC(=O)N(C)CCC[NH+](C)C ZINC000542713598 285245020 /nfs/dbraw/zinc/24/50/20/285245020.db2.gz SXUFQMVYRGMCKW-ZDUSSCGKSA-N 1 0 311.401 2.186 10 0 DEAERO CCc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120725258 195224332 /nfs/dbraw/zinc/22/43/32/195224332.db2.gz HBLLJAVERXQYLL-HIFRSBDPSA-N 1 0 317.433 2.129 10 0 DEAERO Clc1ccc(OCCC[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000543554679 285293534 /nfs/dbraw/zinc/29/35/34/285293534.db2.gz GMRCLOWIBGQPCR-HNNXBMFYSA-N 1 0 310.825 2.125 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000683819176 542499898 /nfs/dbraw/zinc/49/98/98/542499898.db2.gz DJMQOBAMTZNOKM-ABHNRTSZSA-N 1 0 304.434 2.045 10 0 DEAERO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2cnn(C)c2)cc1 ZINC000248160495 257107374 /nfs/dbraw/zinc/10/73/74/257107374.db2.gz XJASBCVDUUXGRL-QZTJIDSGSA-N 1 0 324.428 2.498 10 0 DEAERO CC[C@@H]1[N@H+](Cc2ccc3c(c2)OCO3)CCC[C@@]12CCC(=O)N2 ZINC000248156296 257108023 /nfs/dbraw/zinc/10/80/23/257108023.db2.gz IRCZAABQTLDAET-FUHWJXTLSA-N 1 0 316.401 2.439 10 0 DEAERO CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)Cc3ccsc3)CC[C@H]2C1 ZINC000248012526 257111727 /nfs/dbraw/zinc/11/17/27/257111727.db2.gz RNPMRUBJWUGIIO-HOTGVXAUSA-N 1 0 322.474 2.248 10 0 DEAERO Cc1cccc(C[N@@H+]2C[C@@H]3OC[C@@H](CNc4ccccn4)[C@@H]3C2)n1 ZINC000247873092 257114861 /nfs/dbraw/zinc/11/48/61/257114861.db2.gz MJNPRSZRHIDFND-NJAFHUGGSA-N 1 0 324.428 2.344 10 0 DEAERO Cc1cc(CN2C[C@@H]3OCC[N@@H+](CC4CCCC4)C[C@@H]3C2)no1 ZINC000247916532 257115414 /nfs/dbraw/zinc/11/54/14/257115414.db2.gz MROWECNTJQFVEL-AEFFLSMTSA-N 1 0 319.449 2.306 10 0 DEAERO Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CC[N@@H+]3Cc2ccccn2)n1 ZINC000247874916 257115429 /nfs/dbraw/zinc/11/54/29/257115429.db2.gz NOWWFJYTRWGINQ-QZTJIDSGSA-N 1 0 322.412 2.160 10 0 DEAERO COc1ncccc1CN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC000247825398 257117313 /nfs/dbraw/zinc/11/73/13/257117313.db2.gz FOAZDOHDTZOKCR-MSOLQXFVSA-N 1 0 324.428 2.334 10 0 DEAERO COCCN1CCO[C@@H]2CC[N@H+](Cc3ccc(F)cc3C)C[C@H]21 ZINC000247847249 257117440 /nfs/dbraw/zinc/11/74/40/257117440.db2.gz SRCWWBGJGSHORH-QZTJIDSGSA-N 1 0 322.424 2.056 10 0 DEAERO Cc1ccoc1C(=O)N1CC[C@@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2 ZINC000253476640 257105859 /nfs/dbraw/zinc/10/58/59/257105859.db2.gz AOSGXYMFIAHROT-YJBOKZPZSA-N 1 0 318.417 2.448 10 0 DEAERO COCCN1CCO[C@@H]2CC[N@H+](Cc3cc(F)ccc3C)C[C@@H]21 ZINC000503717029 257209989 /nfs/dbraw/zinc/20/99/89/257209989.db2.gz OKKZXMYZZLQMQT-ZWKOTPCHSA-N 1 0 322.424 2.056 10 0 DEAERO O[C@H](CN1CCOCC1)C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000190316082 285352334 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O=C(NC[C@H](CO)C1CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000359823400 133147156 /nfs/dbraw/zinc/14/71/56/133147156.db2.gz PBNDOTFVGXYXKX-GOSISDBHSA-N 1 0 316.445 2.421 10 0 DEAERO O=C(NC[C@@H](CO)C1CC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000359823701 133147349 /nfs/dbraw/zinc/14/73/49/133147349.db2.gz QFOFHEWPPYSOMA-ZWKOTPCHSA-N 1 0 316.445 2.176 10 0 DEAERO c1ccc(-n2nnnc2CN2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000360386480 133178926 /nfs/dbraw/zinc/17/89/26/133178926.db2.gz XRGJUCJNCFNTIM-INIZCTEOSA-N 1 0 320.400 2.122 10 0 DEAERO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000362530029 133235806 /nfs/dbraw/zinc/23/58/06/133235806.db2.gz VBUMEELFZPLUDU-JCGIZDLHSA-N 1 0 323.433 2.036 10 0 DEAERO COc1ccc2c(c1)[C@@](O)(C[NH2+]Cc1[nH]ncc1C)CCC2 ZINC000368082580 133259456 /nfs/dbraw/zinc/25/94/56/133259456.db2.gz WZHWKSJRJABZOS-KRWDZBQOSA-N 1 0 301.390 2.040 10 0 DEAERO c1nc2c([nH]1)C[C@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000368091975 133259900 /nfs/dbraw/zinc/25/99/00/133259900.db2.gz YLGBZXSBWGXMQH-MRXNPFEDSA-N 1 0 307.401 2.302 10 0 DEAERO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000373561150 133395374 /nfs/dbraw/zinc/39/53/74/133395374.db2.gz HYZJXTNGMJCDJE-DOTOQJQBSA-N 1 0 310.401 2.193 10 0 DEAERO CC(C)[NH2+]C[C@H]1CCCCN1c1ccccc1S(C)(=O)=O ZINC000053699379 134770426 /nfs/dbraw/zinc/77/04/26/134770426.db2.gz DRSZFDDVFBPAKH-CQSZACIVSA-N 1 0 310.463 2.447 10 0 DEAERO Brc1cncc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563136692 292033619 /nfs/dbraw/zinc/03/36/19/292033619.db2.gz JEXWHSKESUPMGI-AWEZNQCLSA-N 1 0 310.239 2.420 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cncc(Br)c1 ZINC000563446684 292057812 /nfs/dbraw/zinc/05/78/12/292057812.db2.gz XGCPCGTZNATJPS-AUTRQRHGSA-N 1 0 312.211 2.162 10 0 DEAERO C[NH+](C)C1(CNC(=O)NCCOCC2CCC2)CCCCC1 ZINC000563845435 292075705 /nfs/dbraw/zinc/07/57/05/292075705.db2.gz FRKAZRPJBQOBJR-UHFFFAOYSA-N 1 0 311.470 2.367 10 0 DEAERO C[C@H](c1nnnn1C1CCCCC1)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000408272636 299680461 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CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccn(C)n1 ZINC000549625108 285850780 /nfs/dbraw/zinc/85/07/80/285850780.db2.gz HKEFNZFSDBIYIZ-OFQRWUPVSA-N 1 0 307.438 2.029 10 0 DEAERO [NH3+]Cc1ccc(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000186490086 144983187 /nfs/dbraw/zinc/98/31/87/144983187.db2.gz JOEXQGLTCZZLKR-SFHVURJKSA-N 1 0 310.397 2.229 10 0 DEAERO COc1cc(F)c(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1OC ZINC000186494025 144983878 /nfs/dbraw/zinc/98/38/78/144983878.db2.gz VABZFCKOWNPNSC-LLVKDONJSA-N 1 0 322.380 2.200 10 0 DEAERO O=C(CC1CCC2(CC1)OCCO2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000188359673 145010952 /nfs/dbraw/zinc/01/09/52/145010952.db2.gz FDIJVPNTFWYKNU-MRXNPFEDSA-N 1 0 322.449 2.007 10 0 DEAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cccc(-n2cccn2)c1 ZINC000188685384 145015317 /nfs/dbraw/zinc/01/53/17/145015317.db2.gz FPQYCCJCVZQAHG-UHFFFAOYSA-N 1 0 318.380 2.406 10 0 DEAERO O=C(C[C@@H]1CCCO1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189027983 145021002 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O=C1CCCCN1C1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000190717728 145047384 /nfs/dbraw/zinc/04/73/84/145047384.db2.gz SSVWDOQNWDNVCM-KRWDZBQOSA-N 1 0 308.466 2.405 10 0 DEAERO Oc1cccc(CN2CC[NH+](C[C@H](O)C3CCCCC3)CC2)c1 ZINC000190882647 145049963 /nfs/dbraw/zinc/04/99/63/145049963.db2.gz GENCHXAOGWNQFB-IBGZPJMESA-N 1 0 318.461 2.451 10 0 DEAERO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000192078725 145070999 /nfs/dbraw/zinc/07/09/99/145070999.db2.gz SMLZVYLNRJWBJW-WMZOPIPTSA-N 1 0 323.396 2.488 10 0 DEAERO CCc1nnc(C2CC[NH+](CCO[C@H]3CCCCO3)CC2)[nH]1 ZINC000193130497 145082961 /nfs/dbraw/zinc/08/29/61/145082961.db2.gz MWLCKWMGXYJYDW-HNNXBMFYSA-N 1 0 308.426 2.090 10 0 DEAERO CCc1nnc(C2CC[NH+](CCO[C@@H]3CCCCO3)CC2)[nH]1 ZINC000193130482 145083222 /nfs/dbraw/zinc/08/32/22/145083222.db2.gz MWLCKWMGXYJYDW-OAHLLOKOSA-N 1 0 308.426 2.090 10 0 DEAERO NC(=O)[C@H]1CCC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193298059 145084366 /nfs/dbraw/zinc/08/43/66/145084366.db2.gz 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c1cc(N2CCCC2)ncc1N[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261887947 145237919 /nfs/dbraw/zinc/23/79/19/145237919.db2.gz GAZIXYUDMGELFW-BRWVUGGUSA-N 1 0 316.449 2.251 10 0 DEAERO CC1(C)CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC[C@@H]1[NH3+] ZINC000261913488 145240794 /nfs/dbraw/zinc/24/07/94/145240794.db2.gz TZTIDNBFLFJUAH-AWEZNQCLSA-N 1 0 317.364 2.279 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000261917482 145241549 /nfs/dbraw/zinc/24/15/49/145241549.db2.gz ZAUNWSYVBJXXCV-CYBMUJFWSA-N 1 0 320.481 2.377 10 0 DEAERO Cc1cnc(-c2cccc(NC(=O)C3(C[NH3+])CCOCC3)c2)o1 ZINC000261929407 145243317 /nfs/dbraw/zinc/24/33/17/145243317.db2.gz LLYCTFKCSVCAEO-UHFFFAOYSA-N 1 0 315.373 2.344 10 0 DEAERO COCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261941013 145245025 /nfs/dbraw/zinc/24/50/25/145245025.db2.gz MUQMMLHMTHWPAR-KZNAEPCWSA-N 1 0 304.434 2.080 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1ccc2n[nH]cc2c1 ZINC000261953549 145245987 /nfs/dbraw/zinc/24/59/87/145245987.db2.gz WSOLYNDXLLKOIC-SUYBPPKGSA-N 1 0 314.389 2.034 10 0 DEAERO CC(=O)Nc1cccc(N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261952219 145246031 /nfs/dbraw/zinc/24/60/31/145246031.db2.gz OLOHDWZWYPDLIA-ZACQAIPSSA-N 1 0 303.406 2.214 10 0 DEAERO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261954425 145246125 /nfs/dbraw/zinc/24/61/25/145246125.db2.gz OTSPTZWKIRGNQG-KZNAEPCWSA-N 1 0 304.434 2.332 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1)C1C[NH2+]C1 ZINC000261988119 145250197 /nfs/dbraw/zinc/25/01/97/145250197.db2.gz BDOCNUVEVYOTRE-LLVKDONJSA-N 1 0 303.406 2.009 10 0 DEAERO C[C@]1(CN2CCN(C(=O)CC3CCCCC3)CC2)CC[NH2+]C1 ZINC000261989306 145250829 /nfs/dbraw/zinc/25/08/29/145250829.db2.gz KCYLZCJFHUZVNH-SFHVURJKSA-N 1 0 307.482 2.101 10 0 DEAERO CC(C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262026001 145254739 /nfs/dbraw/zinc/25/47/39/145254739.db2.gz XCIRCCQXRDAKQJ-UAGQMJEPSA-N 1 0 318.465 2.008 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000262040634 145256331 /nfs/dbraw/zinc/25/63/31/145256331.db2.gz QEXMYUIAPCYBBR-MRXNPFEDSA-N 1 0 302.353 2.027 10 0 DEAERO CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000262057764 145257574 /nfs/dbraw/zinc/25/75/74/145257574.db2.gz QUKJRIYUURSDOK-NVXWUHKLSA-N 1 0 321.852 2.377 10 0 DEAERO CC1(C)CN(C(=O)c2occc2Br)CC[C@H]1[NH3+] ZINC000262103160 145262185 /nfs/dbraw/zinc/26/21/85/145262185.db2.gz VCLAZJLLTJJBPO-SECBINFHSA-N 1 0 301.184 2.242 10 0 DEAERO C[C@H](C(=O)N(C)Cc1ccc(Br)s1)C1C[NH2+]C1 ZINC000262189773 145268364 /nfs/dbraw/zinc/26/83/64/145268364.db2.gz LWRLXOIPYJWKIB-QMMMGPOBSA-N 1 0 317.252 2.325 10 0 DEAERO Cc1ccc(CCN(CC(F)(F)F)C(=O)C2C[NH2+]C2)cc1 ZINC000262186437 145268432 /nfs/dbraw/zinc/26/84/32/145268432.db2.gz FHMCKIOXZMAFME-UHFFFAOYSA-N 1 0 300.324 2.148 10 0 DEAERO CC1(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC[NH2+]CC1 ZINC000262258327 145272430 /nfs/dbraw/zinc/27/24/30/145272430.db2.gz FWBPOWORVTZOKP-CQSZACIVSA-N 1 0 308.809 2.149 10 0 DEAERO C[C@H](C(=O)N1CCCc2cc(OC(F)F)ccc21)C1C[NH2+]C1 ZINC000262317231 145275628 /nfs/dbraw/zinc/27/56/28/145275628.db2.gz CKGZNXJOAQLXAS-JTQLQIEISA-N 1 0 310.344 2.423 10 0 DEAERO C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262312385 145275893 /nfs/dbraw/zinc/27/58/93/145275893.db2.gz QNYSOICDVTYJIL-SRABZTEZSA-N 1 0 318.465 2.056 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000262366160 145279357 /nfs/dbraw/zinc/27/93/57/145279357.db2.gz LCRNRAXGDNEWAW-AEGPPILISA-N 1 0 316.401 2.467 10 0 DEAERO CC[C@H](C)[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262401768 145281678 /nfs/dbraw/zinc/28/16/78/145281678.db2.gz YOXLZHZNFODNOF-PQEBFOHHSA-N 1 0 318.465 2.150 10 0 DEAERO CN(C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)c1ccc(F)cc1 ZINC000262468415 145285842 /nfs/dbraw/zinc/28/58/42/145285842.db2.gz JBDZXNWZGVPNCI-JJRVBVJISA-N 1 0 306.381 2.321 10 0 DEAERO COC[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000262483220 145286606 /nfs/dbraw/zinc/28/66/06/145286606.db2.gz YFFCJWYKMKFDHI-WBIUFABUSA-N 1 0 312.360 2.157 10 0 DEAERO COc1cc(OC)c(CN2CC[C@H]([NH3+])C(C)(C)C2)c(OC)c1 ZINC000262493793 145287106 /nfs/dbraw/zinc/28/71/06/145287106.db2.gz LEXZUMVLQPCOGB-INIZCTEOSA-N 1 0 308.422 2.272 10 0 DEAERO COc1ccc(CNC2=[NH+]CCCN2)c(OC2CCCC2)c1 ZINC000262493563 145287145 /nfs/dbraw/zinc/28/71/45/145287145.db2.gz VPSXJFXPVJEAGS-UHFFFAOYSA-N 1 0 303.406 2.456 10 0 DEAERO C[C@H]1C[C@H](NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)C[C@@H](C)C1 ZINC000262505533 145289080 /nfs/dbraw/zinc/28/90/80/145289080.db2.gz MJPZHEXSLXUCCA-VWVXXCMISA-N 1 0 308.466 2.460 10 0 DEAERO C[C@H](C(=O)Nc1ccnn1-c1cccc(Cl)c1)C1C[NH2+]C1 ZINC000262549682 145292299 /nfs/dbraw/zinc/29/22/99/145292299.db2.gz ONOBWTUFQRSVCX-JTQLQIEISA-N 1 0 304.781 2.320 10 0 DEAERO CNC(=O)c1cc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)ccc1Cl ZINC000262554348 145292831 /nfs/dbraw/zinc/29/28/31/145292831.db2.gz TUUMNQCMUROVKB-CYBMUJFWSA-N 1 0 323.824 2.416 10 0 DEAERO C[C@H]1Cc2ccccc2N1C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262573561 145294408 /nfs/dbraw/zinc/29/44/08/145294408.db2.gz XTPLJDIEIIONND-BBRMVZONSA-N 1 0 301.434 2.023 10 0 DEAERO CN(Cc1ccc(F)cc1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262702232 145300935 /nfs/dbraw/zinc/30/09/35/145300935.db2.gz CMFNVQCTDKYOAG-OAHLLOKOSA-N 1 0 316.380 2.219 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000262776045 145304179 /nfs/dbraw/zinc/30/41/79/145304179.db2.gz NILMNYYVFQHEBD-UFBFGSQYSA-N 1 0 323.245 2.270 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262786576 145305137 /nfs/dbraw/zinc/30/51/37/145305137.db2.gz MPUKHMSDCVFGLP-CXAGYDPISA-N 1 0 320.481 2.203 10 0 DEAERO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262808937 145306585 /nfs/dbraw/zinc/30/65/85/145306585.db2.gz OPWZDLPLDQLKMM-GXSJLCMTSA-N 1 0 305.403 2.439 10 0 DEAERO C[C@H]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC12CCC2 ZINC000262827056 145306729 /nfs/dbraw/zinc/30/67/29/145306729.db2.gz RSANDTYOEMDNFF-GJZGRUSLSA-N 1 0 316.449 2.460 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)C2=Cc3cc(Cl)ccc3OC2)CC[NH2+]1 ZINC000262952252 145313861 /nfs/dbraw/zinc/31/38/61/145313861.db2.gz VNEFXCRMXJVJLY-YGRLFVJLSA-N 1 0 306.793 2.373 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(C2(c3cccc(Cl)c3)CC2)n1 ZINC000263110277 145326059 /nfs/dbraw/zinc/32/60/59/145326059.db2.gz AFEXXSYOLFQQCK-CYBMUJFWSA-N 1 0 318.808 2.379 10 0 DEAERO Clc1ccc(COCCNC2=[NH+]CCCN2)c(Cl)c1 ZINC000263144681 145329797 /nfs/dbraw/zinc/32/97/97/145329797.db2.gz KJDAGNVBUANICH-UHFFFAOYSA-N 1 0 302.205 2.449 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2cccc3ccccc32)n1 ZINC000263182097 145333651 /nfs/dbraw/zinc/33/36/51/145333651.db2.gz GWVUARBGIWFZKZ-MRXNPFEDSA-N 1 0 308.385 2.390 10 0 DEAERO Cc1cc(Cl)ccc1OCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263228967 145338524 /nfs/dbraw/zinc/33/85/24/145338524.db2.gz NDBLOUJATSJYMZ-GFCCVEGCSA-N 1 0 322.796 2.187 10 0 DEAERO CO[C@H](C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309921994 145350785 /nfs/dbraw/zinc/35/07/85/145350785.db2.gz RFKUWUDEUGDMLJ-MXASKKJJSA-N 1 0 302.418 2.048 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3cc(C)n[nH]3)C2)C1 ZINC000332743470 145386802 /nfs/dbraw/zinc/38/68/02/145386802.db2.gz PDQBNERLFQUIMV-HUUCEWRRSA-N 1 0 319.453 2.091 10 0 DEAERO O[C@H](CC[NH2+]Cc1ncc(Br)s1)C(F)(F)F ZINC000336659976 145396792 /nfs/dbraw/zinc/39/67/92/145396792.db2.gz AZUKQEOSUHKNDH-RXMQYKEDSA-N 1 0 319.146 2.309 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000358416948 147129581 /nfs/dbraw/zinc/12/95/81/147129581.db2.gz VOWPEUXFXZAORE-QGZVFWFLSA-N 1 0 322.412 2.352 10 0 DEAERO COCCC1(C)CN(C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000358471722 147140944 /nfs/dbraw/zinc/14/09/44/147140944.db2.gz UZFLSPZBXOLVBO-UHFFFAOYSA-N 1 0 311.470 2.176 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000358603420 147164513 /nfs/dbraw/zinc/16/45/13/147164513.db2.gz KAHVULVVURLCFE-HUUCEWRRSA-N 1 0 311.470 2.175 10 0 DEAERO COCCN(Cc1ccco1)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358654824 147174492 /nfs/dbraw/zinc/17/44/92/147174492.db2.gz WLOVMIQSHGGENS-UHFFFAOYSA-N 1 0 321.421 2.090 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCOc2cccc(F)c2C1)C1CC1 ZINC000370287408 148002451 /nfs/dbraw/zinc/00/24/51/148002451.db2.gz FZOZDUFXUJZOJL-UHFFFAOYSA-N 1 0 321.396 2.214 10 0 DEAERO c1nc([C@H]2CCC[N@@H+](CCC3OCCO3)C2)n2c1CCCC2 ZINC000370305455 148005066 /nfs/dbraw/zinc/00/50/66/148005066.db2.gz KRDFPEDAPOWNBM-AWEZNQCLSA-N 1 0 305.422 2.162 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000371232781 148075682 /nfs/dbraw/zinc/07/56/82/148075682.db2.gz UXVCVDBABGANNY-LSDHHAIUSA-N 1 0 317.433 2.438 10 0 DEAERO c1cn(-c2ccc(C[NH2+][C@H]3CCO[C@@]4(CCOC4)C3)cc2)cn1 ZINC000371402024 148098648 /nfs/dbraw/zinc/09/86/48/148098648.db2.gz UGXZZDTXMUCFDO-WMZOPIPTSA-N 1 0 313.401 2.300 10 0 DEAERO CC(C)(C)n1cc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)nn1 ZINC000375415977 148369293 /nfs/dbraw/zinc/36/92/93/148369293.db2.gz QQKUDVMNVGEEBO-GFCCVEGCSA-N 1 0 316.409 2.283 10 0 DEAERO O=C(CC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)NC1CCCC1 ZINC000375446573 148373338 /nfs/dbraw/zinc/37/33/38/148373338.db2.gz XOQKAMYPUGAQBX-CYBMUJFWSA-N 1 0 318.421 2.185 10 0 DEAERO CO[C@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[C@H]1C ZINC000187602625 286070156 /nfs/dbraw/zinc/07/01/56/286070156.db2.gz NGDWZBNGWNBQGE-PBHICJAKSA-N 1 0 323.481 2.460 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@H](c3ccsc3)C2)C1 ZINC000127116601 401721099 /nfs/dbraw/zinc/72/10/99/401721099.db2.gz SDHLQWQQPZKRIB-HIFRSBDPSA-N 1 0 323.462 2.173 10 0 DEAERO C[NH+](C)C1CCN([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000111683627 401721107 /nfs/dbraw/zinc/72/11/07/401721107.db2.gz BUMQGSISYFJLHY-MRXNPFEDSA-N 1 0 321.852 2.471 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC1=CCCCC1 ZINC000111785522 401723218 /nfs/dbraw/zinc/72/32/18/401723218.db2.gz HTTUYWGXWMOGKR-MRXNPFEDSA-N 1 0 309.454 2.287 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000111833648 401725137 /nfs/dbraw/zinc/72/51/37/401725137.db2.gz IUQFQRSTAMKYOK-HNNXBMFYSA-N 1 0 319.449 2.060 10 0 DEAERO C[NH+]1CCN(c2c3c([nH+]c4ccc(C(=O)[O-])cc42)CCC3)CC1 ZINC000004226618 401726219 /nfs/dbraw/zinc/72/62/19/401726219.db2.gz MCZHJZCBCXUFJH-UHFFFAOYSA-N 1 0 311.385 2.174 10 0 DEAERO O=C(c1cnn2c1CCCC2)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000127256883 401726178 /nfs/dbraw/zinc/72/61/78/401726178.db2.gz KIYUJIIRMUXPNB-OAHLLOKOSA-N 1 0 316.449 2.310 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](CC(C)C)C1 ZINC000074167509 401731903 /nfs/dbraw/zinc/73/19/03/401731903.db2.gz FCJFADNQCOKPOX-HOTGVXAUSA-N 1 0 311.470 2.175 10 0 DEAERO COc1cc([C@H](C)[NH2+]CCC[S@@](C)=O)cc(OC)c1OC ZINC000126829130 401709750 /nfs/dbraw/zinc/70/97/50/401709750.db2.gz HHFBFRMVMXDABK-MQJDWESPSA-N 1 0 315.435 2.132 10 0 DEAERO CC(=O)NCCC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111307459 401710092 /nfs/dbraw/zinc/71/00/92/401710092.db2.gz QYGPLCWQQMKPCZ-UHFFFAOYSA-N 1 0 315.461 2.287 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(OCCC(=O)OC)cc1)[NH+](C)C ZINC000126885078 401711884 /nfs/dbraw/zinc/71/18/84/401711884.db2.gz LGBBDCSUCAGYFO-OAHLLOKOSA-N 1 0 322.405 2.297 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000111635976 401719177 /nfs/dbraw/zinc/71/91/77/401719177.db2.gz XMYSAZBASYVXIJ-ZWKOTPCHSA-N 1 0 317.477 2.150 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000077003262 401802995 /nfs/dbraw/zinc/80/29/95/401802995.db2.gz PEXCDWOQZAPLKS-HOTGVXAUSA-N 1 0 323.412 2.249 10 0 DEAERO CC(C)C[C@H]1COCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000114563122 401803272 /nfs/dbraw/zinc/80/32/72/401803272.db2.gz QCCJIZUUMFEKMK-ZWKOTPCHSA-N 1 0 307.434 2.311 10 0 DEAERO CCOC[C@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000075314991 401757712 /nfs/dbraw/zinc/75/77/12/401757712.db2.gz KSCMVMGRUYAQCL-XYTVBORESA-N 1 0 323.481 2.460 10 0 DEAERO C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127986720 401758062 /nfs/dbraw/zinc/75/80/62/401758062.db2.gz XTTUBXPEDAVSKP-ZAOWEBSESA-N 1 0 309.360 2.418 10 0 DEAERO O=C(C[NH2+][C@H]1CCCC[C@H]1n1cccn1)Nc1nccs1 ZINC000128040665 401760147 /nfs/dbraw/zinc/76/01/47/401760147.db2.gz IEUVRKQSUAYHAK-NWDGAFQWSA-N 1 0 305.407 2.052 10 0 DEAERO COc1ccc(C)nc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128063560 401761384 /nfs/dbraw/zinc/76/13/84/401761384.db2.gz GZNZCHMZZRSZFT-OLZOCXBDSA-N 1 0 306.410 2.345 10 0 DEAERO CCCNC(=O)C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000075826745 401769992 /nfs/dbraw/zinc/76/99/92/401769992.db2.gz XXEFPNXRSVRPEG-SFHVURJKSA-N 1 0 304.434 2.132 10 0 DEAERO CCC(=O)Nc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113224345 401770557 /nfs/dbraw/zinc/77/05/57/401770557.db2.gz JIZWZPMIFIBIIH-BBRMVZONSA-N 1 0 315.417 2.344 10 0 DEAERO CCOc1ccc(CC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113226709 401770818 /nfs/dbraw/zinc/77/08/18/401770818.db2.gz TUZMXHQCLXPFNE-HOCLYGCPSA-N 1 0 302.418 2.323 10 0 DEAERO Cc1nn(C)c2sc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)cc12 ZINC000113224855 401770902 /nfs/dbraw/zinc/77/09/02/401770902.db2.gz PHNJGBGYHJETCL-CMPLNLGQSA-N 1 0 318.446 2.252 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCc1cccnc1 ZINC000113227043 401771283 /nfs/dbraw/zinc/77/12/83/401771283.db2.gz HJIZBYVEFKWPQJ-DZGCQCFKSA-N 1 0 305.447 2.010 10 0 DEAERO COc1cccc([C@H](C)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113229610 401771638 /nfs/dbraw/zinc/77/16/38/401771638.db2.gz PWLFSRKDAPYRPI-IJEWVQPXSA-N 1 0 302.418 2.494 10 0 DEAERO COc1ccc(OC)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113233820 401772271 /nfs/dbraw/zinc/77/22/71/401772271.db2.gz MNLQKGUHHIFNOB-QWHCGFSZSA-N 1 0 304.390 2.013 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113268502 401774030 /nfs/dbraw/zinc/77/40/30/401774030.db2.gz BHAOOOMVHBOVNT-QZWWFDLISA-N 1 0 307.482 2.192 10 0 DEAERO Cc1ccc(NC(=O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)c1 ZINC000113271898 401774696 /nfs/dbraw/zinc/77/46/96/401774696.db2.gz LHMOQABAZBYWQR-JKSUJKDBSA-N 1 0 301.434 2.410 10 0 DEAERO CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128413822 401775804 /nfs/dbraw/zinc/77/58/04/401775804.db2.gz UVXOYTYXLDMHJK-MJGOQNOKSA-N 1 0 316.445 2.272 10 0 DEAERO C[C@H]1C[C@@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000075977733 401775946 /nfs/dbraw/zinc/77/59/46/401775946.db2.gz JCZGTTGCONOIKO-YOEHRIQHSA-N 1 0 301.434 2.401 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)/C=C/c1ccccc1 ZINC000113306079 401776290 /nfs/dbraw/zinc/77/62/90/401776290.db2.gz OSVVPTLARKRONN-AVWWHXKWSA-N 1 0 306.431 2.156 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)cn1 ZINC000128428184 401776670 /nfs/dbraw/zinc/77/66/70/401776670.db2.gz KPTWWHGLRXXBTM-INIZCTEOSA-N 1 0 311.433 2.405 10 0 DEAERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCc1ccc(F)cc1 ZINC000128480823 401778996 /nfs/dbraw/zinc/77/89/96/401778996.db2.gz JEWHQAPBWQJNOM-QAPCUYQASA-N 1 0 320.408 2.069 10 0 DEAERO CCC[N@H+](CCc1cccc(F)c1)C[C@@H](O)CN1CCCC1=O ZINC000113518209 401781836 /nfs/dbraw/zinc/78/18/36/401781836.db2.gz IEHOIGDFTAVYIE-QGZVFWFLSA-N 1 0 322.424 2.064 10 0 DEAERO Cc1cccc(CCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113608768 401783854 /nfs/dbraw/zinc/78/38/54/401783854.db2.gz ZOTBNCCXDRLPMH-DOTOQJQBSA-N 1 0 301.434 2.416 10 0 DEAERO CC(C)c1noc2ncc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc21 ZINC000128752946 401790198 /nfs/dbraw/zinc/79/01/98/401790198.db2.gz FLNPDZDYBBUORH-CHWSQXEVSA-N 1 0 302.378 2.346 10 0 DEAERO Cc1ccn2ncc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)c2n1 ZINC000114227404 401794777 /nfs/dbraw/zinc/79/47/77/401794777.db2.gz FIPTZUAKZWMTTQ-INIZCTEOSA-N 1 0 323.400 2.070 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)NCCc2cc(F)ccc2F)C1 ZINC000130235252 401823882 /nfs/dbraw/zinc/82/38/82/401823882.db2.gz UBPCPZZLNONURH-LBPRGKRZSA-N 1 0 311.376 2.100 10 0 DEAERO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)[C@@H](C)CO ZINC000077764162 401829632 /nfs/dbraw/zinc/82/96/32/401829632.db2.gz OOVYPDPWAVRLGI-LSDHHAIUSA-N 1 0 321.465 2.343 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2)CC1 ZINC000077819928 401833464 /nfs/dbraw/zinc/83/34/64/401833464.db2.gz ZBCIDFPTAQRFNN-UHFFFAOYSA-N 1 0 321.396 2.002 10 0 DEAERO CSC[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116244221 401847002 /nfs/dbraw/zinc/84/70/02/401847002.db2.gz LTEDBPFKPXWTLE-DZKIICNBSA-N 1 0 321.490 2.407 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccn1C ZINC000116252425 401847242 /nfs/dbraw/zinc/84/72/42/401847242.db2.gz QVJKVRBGWXLHOU-HOCLYGCPSA-N 1 0 312.417 2.061 10 0 DEAERO COc1ccc(OCC[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116324201 401850248 /nfs/dbraw/zinc/85/02/48/401850248.db2.gz AQRQOBVHCPQXJF-AWEZNQCLSA-N 1 0 301.390 2.297 10 0 DEAERO CCOC(=O)CCCC[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000132715637 401872226 /nfs/dbraw/zinc/87/22/26/401872226.db2.gz QRISGYDFLDWNNQ-CQSZACIVSA-N 1 0 308.426 2.211 10 0 DEAERO CC[NH+](CC)CCN1CCCN(C(=O)c2cccs2)CC1 ZINC000131574772 401853079 /nfs/dbraw/zinc/85/30/79/401853079.db2.gz FEHQFMUQQKYRKZ-UHFFFAOYSA-N 1 0 309.479 2.238 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(C[S@](C)=O)c1 ZINC000078614819 401858364 /nfs/dbraw/zinc/85/83/64/401858364.db2.gz IQWLWFQBHDTECD-OPAMFIHVSA-N 1 0 324.490 2.271 10 0 DEAERO Cc1ccccc1[C@H](C)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116785127 401858522 /nfs/dbraw/zinc/85/85/22/401858522.db2.gz KTKCLUZYBVIHNY-HZPDHXFCSA-N 1 0 304.434 2.278 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)sc2Cl)CCO1 ZINC000116796148 401859081 /nfs/dbraw/zinc/85/90/81/401859081.db2.gz SOQZYKQTZVHWFU-MRVPVSSYSA-N 1 0 323.245 2.458 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CCO1 ZINC000116791513 401859214 /nfs/dbraw/zinc/85/92/14/401859214.db2.gz HBQXNALZORKIHA-CYBMUJFWSA-N 1 0 321.808 2.224 10 0 DEAERO CCc1cc(C)c(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)o1 ZINC000132122324 401862435 /nfs/dbraw/zinc/86/24/35/401862435.db2.gz LUJCVMFBGGEXJA-CQSZACIVSA-N 1 0 321.465 2.154 10 0 DEAERO Cc1cc(C)n2c(C[N@H+](C[C@H]3CCOC3)C3CC3)cnc2n1 ZINC000129978781 401813722 /nfs/dbraw/zinc/81/37/22/401813722.db2.gz VRHORQDWRCZTQN-CQSZACIVSA-N 1 0 300.406 2.347 10 0 DEAERO Cc1ccc(OCCN(C)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000043180341 401937408 /nfs/dbraw/zinc/93/74/08/401937408.db2.gz VPZYINIAEOOZBF-UHFFFAOYSA-N 1 0 305.422 2.109 10 0 DEAERO CCc1ncc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000119168810 401930631 /nfs/dbraw/zinc/93/06/31/401930631.db2.gz QFDWUVMBNIUKTG-OAHLLOKOSA-N 1 0 313.405 2.463 10 0 DEAERO CCOC(=O)CCCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000132948216 401877028 /nfs/dbraw/zinc/87/70/28/401877028.db2.gz GIDLZKMCXOBJFK-UHFFFAOYSA-N 1 0 306.410 2.086 10 0 DEAERO O=C(C[C@H]1CSCC[NH2+]1)NCc1ccccc1OC1CCC1 ZINC000133015151 401878240 /nfs/dbraw/zinc/87/82/40/401878240.db2.gz VMJCHQJWGYFLTN-AWEZNQCLSA-N 1 0 320.458 2.329 10 0 DEAERO CC[C@H]1CN(C(=O)N[C@H](C)c2ccccc2)CC[N@@H+]1CCOC ZINC000117494107 401878448 /nfs/dbraw/zinc/87/84/48/401878448.db2.gz SELVIQLUWMNYLO-WBVHZDCISA-N 1 0 319.449 2.500 10 0 DEAERO C[C@H](CCC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000133316826 401882113 /nfs/dbraw/zinc/88/21/13/401882113.db2.gz JHKYUFGXXWPIJT-NVXWUHKLSA-N 1 0 304.434 2.359 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000079921406 401883659 /nfs/dbraw/zinc/88/36/59/401883659.db2.gz BNEUHXWNYFHVHM-SFHVURJKSA-N 1 0 319.401 2.287 10 0 DEAERO C[C@H](Cc1ccc(O)cc1)[NH2+]CC(=O)c1cc(O)cc(O)c1 ZINC000033505757 401891223 /nfs/dbraw/zinc/89/12/23/401891223.db2.gz IFNGKZSCMSNIPZ-LLVKDONJSA-N 1 0 301.342 2.207 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)[C@H]1CSc2ccccc21 ZINC000118314668 401895301 /nfs/dbraw/zinc/89/53/01/401895301.db2.gz RLJPZLRBLLFXDC-HNNXBMFYSA-N 1 0 320.458 2.105 10 0 DEAERO Cc1c([C@H](C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cnn1C ZINC000042908879 401935668 /nfs/dbraw/zinc/93/56/68/401935668.db2.gz MKMITDNTJDBTCU-NSHDSACASA-N 1 0 321.469 2.398 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000089107822 401935744 /nfs/dbraw/zinc/93/57/44/401935744.db2.gz VEJTUYIAYAHSDL-JQWIXIFHSA-N 1 0 302.465 2.106 10 0 DEAERO O=C(NCCOC1CCCCCC1)N1CCN(C2CC2)CC1 ZINC000118586639 401901094 /nfs/dbraw/zinc/90/10/94/401901094.db2.gz OZZUQUIMKCOEKG-UHFFFAOYSA-N 1 0 309.454 2.215 10 0 DEAERO Cc1c(C(=O)OC(C)C)sc2[nH]c(C[NH2+]C(C)C)nc(=O)c12 ZINC000036154554 401903409 /nfs/dbraw/zinc/90/34/09/401903409.db2.gz NTOFFOSJBYDLCI-UHFFFAOYSA-N 1 0 323.418 2.356 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000036267393 401903694 /nfs/dbraw/zinc/90/36/94/401903694.db2.gz TYMDQDBGKCGURN-UHFFFAOYSA-N 1 0 302.827 2.069 10 0 DEAERO CC[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](CC)CC)C(=O)OC ZINC000084370714 401905615 /nfs/dbraw/zinc/90/56/15/401905615.db2.gz ZYZVJQIHOYXALC-HUUCEWRRSA-N 1 0 306.406 2.137 10 0 DEAERO CC(C)Oc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000118804913 401909038 /nfs/dbraw/zinc/90/90/38/401909038.db2.gz ZDRNCVFCJAYBIM-INIZCTEOSA-N 1 0 321.421 2.268 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccc(Br)s2)C1 ZINC000085011314 401912922 /nfs/dbraw/zinc/91/29/22/401912922.db2.gz PBGFKOLBRCXCGG-HTQZYQBOSA-N 1 0 303.225 2.254 10 0 DEAERO [NH3+]C1CCN(c2ccc(I)cc2)CC1 ZINC000037483559 401913880 /nfs/dbraw/zinc/91/38/80/401913880.db2.gz QTSCYXFINKBEMJ-UHFFFAOYSA-N 1 0 302.159 2.219 10 0 DEAERO O=C(c1cccc(Br)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037503244 401914556 /nfs/dbraw/zinc/91/45/56/401914556.db2.gz PEUOYHUIIAYRNL-CYBMUJFWSA-N 1 0 309.207 2.369 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000085407871 401915935 /nfs/dbraw/zinc/91/59/35/401915935.db2.gz GIFGDSNGSOYUPV-CABCVRRESA-N 1 0 321.469 2.021 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNc1ncc(Br)c(OC)n1 ZINC000085656687 401918065 /nfs/dbraw/zinc/91/80/65/401918065.db2.gz FOFUJWRODALDTB-VIFPVBQESA-N 1 0 317.231 2.390 10 0 DEAERO COCCOc1cccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000119487013 401953577 /nfs/dbraw/zinc/95/35/77/401953577.db2.gz NAPPZOMHZQSDBC-INIZCTEOSA-N 1 0 316.405 2.140 10 0 DEAERO CCCn1cc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)cn1 ZINC000119580805 401960106 /nfs/dbraw/zinc/96/01/06/401960106.db2.gz ODGKSASYIBEDTI-GOSISDBHSA-N 1 0 317.433 2.303 10 0 DEAERO C[C@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCCO1 ZINC000046313470 401968724 /nfs/dbraw/zinc/96/87/24/401968724.db2.gz KJGYDGPDAMBXLG-CWRNSKLLSA-N 1 0 311.470 2.364 10 0 DEAERO CCOc1cccc(CCNC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000136520408 401968847 /nfs/dbraw/zinc/96/88/47/401968847.db2.gz FEWFUWUAJDJYQT-HNNXBMFYSA-N 1 0 305.422 2.021 10 0 DEAERO CCn1cc(C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)cn1 ZINC000119943508 401971828 /nfs/dbraw/zinc/97/18/28/401971828.db2.gz HMPYQDFWKNPRCW-UHFFFAOYSA-N 1 0 318.465 2.341 10 0 DEAERO CCC(CC)CNC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000091856299 401998684 /nfs/dbraw/zinc/99/86/84/401998684.db2.gz RZMWVKKKCMUUST-QGZVFWFLSA-N 1 0 324.513 2.234 10 0 DEAERO COc1cccc(C(C)(C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000120203083 401982639 /nfs/dbraw/zinc/98/26/39/401982639.db2.gz IUFKIDZUBOUQEJ-HNNXBMFYSA-N 1 0 319.449 2.318 10 0 DEAERO CC(=O)N(C)c1ccccc1NC(=O)CN1CCC(C)CC1 ZINC000137546222 401984260 /nfs/dbraw/zinc/98/42/60/401984260.db2.gz IBMUNNAAEVRYKK-UHFFFAOYSA-N 1 0 303.406 2.340 10 0 DEAERO COc1cccc(C(C)(C)C[NH2+]C2CCN(C(N)=O)CC2)c1 ZINC000090718507 401987265 /nfs/dbraw/zinc/98/72/65/401987265.db2.gz WCXAPZOSKXIMIU-UHFFFAOYSA-N 1 0 305.422 2.106 10 0 DEAERO NC(=O)c1ccc([C@@H]2COCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000141251292 401989988 /nfs/dbraw/zinc/98/99/88/401989988.db2.gz XOKQKFUAUVSXMA-SFHVURJKSA-N 1 0 310.397 2.402 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)NCCCC[NH+]2CCOCC2)o1 ZINC000048060895 401993295 /nfs/dbraw/zinc/99/32/95/401993295.db2.gz BNXWQJXQDVHZIG-AWEZNQCLSA-N 1 0 309.410 2.061 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091318958 401996274 /nfs/dbraw/zinc/99/62/74/401996274.db2.gz MVIZEKFTCVPOCF-LSDHHAIUSA-N 1 0 316.449 2.335 10 0 DEAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2)c(Br)c1 ZINC000119293672 401939061 /nfs/dbraw/zinc/93/90/61/401939061.db2.gz TYEVEOWFNTYOGT-LBPRGKRZSA-N 1 0 311.223 2.468 10 0 DEAERO CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000119347698 401943651 /nfs/dbraw/zinc/94/36/51/401943651.db2.gz WNTDMOQMSKLYDL-QMTHXVAHSA-N 1 0 311.376 2.033 10 0 DEAERO CN1CCN(C(=O)CC2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000093143057 402012358 /nfs/dbraw/zinc/01/23/58/402012358.db2.gz YWMHZUFYPLBHEL-UHFFFAOYSA-N 1 0 321.490 2.124 10 0 DEAERO Cn1c(Cl)c(Cl)cc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000049516001 402018440 /nfs/dbraw/zinc/01/84/40/402018440.db2.gz AHBVYWCCXLDFER-SECBINFHSA-N 1 0 302.205 2.252 10 0 DEAERO COCCN1CCN(CCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000122007527 402059198 /nfs/dbraw/zinc/05/91/98/402059198.db2.gz LWSMBKYUTFNVSH-AWEZNQCLSA-N 1 0 308.397 2.051 10 0 DEAERO C[C@@H](NC(=O)N1CCC[C@H]1Cn1ccnc1)C(C)(C)C[NH+](C)C ZINC000121205964 402020463 /nfs/dbraw/zinc/02/04/63/402020463.db2.gz FFHNDXLQHZIJHX-CABCVRRESA-N 1 0 321.469 2.033 10 0 DEAERO CC(C)(C)OC(=O)N1CCC([NH2+]CC(=O)c2ccco2)CC1 ZINC000095083528 402024693 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COCCOC[C@H]1CC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000151850414 402060990 /nfs/dbraw/zinc/06/09/90/402060990.db2.gz HEFLJHGOXVGFRJ-LBPRGKRZSA-N 1 0 308.353 2.452 10 0 DEAERO CCn1cc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)cn1 ZINC000121929078 402057360 /nfs/dbraw/zinc/05/73/60/402057360.db2.gz OPKHBGCYSVEUOK-OAHLLOKOSA-N 1 0 302.426 2.024 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)c2ccc(Cl)cc2)C1 ZINC000150851304 402000086 /nfs/dbraw/zinc/00/00/86/402000086.db2.gz KIRZFUGQQBFIPC-RISCZKNCSA-N 1 0 308.809 2.368 10 0 DEAERO O=C(c1ccncc1Br)N1CCN2CCCC[C@H]2C1 ZINC000151013245 402010454 /nfs/dbraw/zinc/01/04/54/402010454.db2.gz TWOOXUDDMHPPIS-NSHDSACASA-N 1 0 324.222 2.154 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)CCc1nc(-c2ccoc2)no1 ZINC000122404036 402076846 /nfs/dbraw/zinc/07/68/46/402076846.db2.gz DOMMGYXEANYILX-GFCCVEGCSA-N 1 0 320.393 2.109 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cnn(-c3ccccc3F)c2)C1 ZINC000152128989 402077043 /nfs/dbraw/zinc/07/70/43/402077043.db2.gz YCCBSXILVQMBRT-ZDUSSCGKSA-N 1 0 317.368 2.179 10 0 DEAERO COc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1F ZINC000152125364 402077189 /nfs/dbraw/zinc/07/71/89/402077189.db2.gz KQOREINFBPQNDJ-JSGCOSHPSA-N 1 0 306.381 2.391 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000152167299 402079232 /nfs/dbraw/zinc/07/92/32/402079232.db2.gz IFHXQBCHQPTNAB-CXAGYDPISA-N 1 0 314.385 2.279 10 0 DEAERO Cc1cc(C)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)[nH]1 ZINC000122512255 402082367 /nfs/dbraw/zinc/08/23/67/402082367.db2.gz YQWSUUFGEJUVJV-HOTGVXAUSA-N 1 0 319.449 2.129 10 0 DEAERO CCO[C@H](CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000122537729 402083377 /nfs/dbraw/zinc/08/33/77/402083377.db2.gz SUIHAAXMADUOAK-HRCADAONSA-N 1 0 313.486 2.466 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ccncc1 ZINC000152372704 402092771 /nfs/dbraw/zinc/09/27/71/402092771.db2.gz LPAKSTQKKQWANS-MRXNPFEDSA-N 1 0 304.438 2.343 10 0 DEAERO CC[N@H+](CC(=O)NC(N)=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000123306176 402121152 /nfs/dbraw/zinc/12/11/52/402121152.db2.gz LHZQHWOYSIJCJY-VIFPVBQESA-N 1 0 317.311 2.283 10 0 DEAERO COc1ccc(C(=O)CCC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000061621055 402107992 /nfs/dbraw/zinc/10/79/92/402107992.db2.gz GESCDJIGXZZLFU-UHFFFAOYSA-N 1 0 318.417 2.211 10 0 DEAERO c1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc(C2CC2)n1 ZINC000123060072 402108466 /nfs/dbraw/zinc/10/84/66/402108466.db2.gz WTIXOQJOYJLCIF-ZDUSSCGKSA-N 1 0 302.422 2.267 10 0 DEAERO Cc1cc(Cl)ccc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000123130107 402112222 /nfs/dbraw/zinc/11/22/22/402112222.db2.gz XDUIDWYEIIIKLZ-CQSZACIVSA-N 1 0 308.809 2.195 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123131455 402112229 /nfs/dbraw/zinc/11/22/29/402112229.db2.gz ZUGDTIGDQPWBFP-CZUORRHYSA-N 1 0 318.417 2.209 10 0 DEAERO COc1ccccc1OCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123144118 402112513 /nfs/dbraw/zinc/11/25/13/402112513.db2.gz FPGWNHCAFYSTPK-CABCVRRESA-N 1 0 320.433 2.405 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123146372 402113669 /nfs/dbraw/zinc/11/36/69/402113669.db2.gz WCSAJCRNVBGWRY-DOTOQJQBSA-N 1 0 303.450 2.060 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(N(C)C)n2)CC[N@@H+]1C ZINC000152961134 402119419 /nfs/dbraw/zinc/11/94/19/402119419.db2.gz WXEWYOMYPVDOFZ-CHWSQXEVSA-N 1 0 305.426 2.094 10 0 DEAERO C[C@@H](CO)[C@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000151903043 402064864 /nfs/dbraw/zinc/06/48/64/402064864.db2.gz OYESNKMWNJKCAV-RYUDHWBXSA-N 1 0 304.390 2.241 10 0 DEAERO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cccc2ccccc21 ZINC000122204631 402066607 /nfs/dbraw/zinc/06/66/07/402066607.db2.gz ZCYNEWLZXWPABR-STQMWFEESA-N 1 0 304.415 2.198 10 0 DEAERO COCc1cc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)ccc1OC ZINC000123442261 402128204 /nfs/dbraw/zinc/12/82/04/402128204.db2.gz ULRYLEYMXXFLCK-GJZGRUSLSA-N 1 0 322.449 2.213 10 0 DEAERO C[C@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000123577208 402135937 /nfs/dbraw/zinc/13/59/37/402135937.db2.gz MHGKFQXQUORLER-YOEHRIQHSA-N 1 0 321.440 2.199 10 0 DEAERO O=C(CN1CCC[C@H]1C[NH+]1CCCC1)Nc1cc(F)cc(F)c1 ZINC000066535973 402136010 /nfs/dbraw/zinc/13/60/10/402136010.db2.gz YMLQJFYMGQDHNV-INIZCTEOSA-N 1 0 323.387 2.464 10 0 DEAERO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000066532701 402136043 /nfs/dbraw/zinc/13/60/43/402136043.db2.gz DMLITKGNMOXBCD-DOTOQJQBSA-N 1 0 305.466 2.160 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2cccn2CCC(C)C)CC1 ZINC000123628144 402138557 /nfs/dbraw/zinc/13/85/57/402138557.db2.gz SXGYUJXSMHIGED-GOSISDBHSA-N 1 0 307.482 2.423 10 0 DEAERO CC(C)[C@H](O)CNC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000153461737 402146742 /nfs/dbraw/zinc/14/67/42/402146742.db2.gz GZLHGASEVXMHLA-HZPDHXFCSA-N 1 0 313.486 2.059 10 0 DEAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000101563977 402148641 /nfs/dbraw/zinc/14/86/41/402148641.db2.gz OWRRYRNRBIHABF-MRXNPFEDSA-N 1 0 318.417 2.354 10 0 DEAERO Cc1ccc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1C(N)=O ZINC000067311106 402156204 /nfs/dbraw/zinc/15/62/04/402156204.db2.gz ZMZTYBSIENYJQT-CYBMUJFWSA-N 1 0 318.421 2.090 10 0 DEAERO COC(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123922724 402154246 /nfs/dbraw/zinc/15/42/46/402154246.db2.gz IWAXWXATJQYUBL-WFASDCNBSA-N 1 0 304.390 2.028 10 0 DEAERO COC(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123922238 402154267 /nfs/dbraw/zinc/15/42/67/402154267.db2.gz IWAXWXATJQYUBL-SWLSCSKDSA-N 1 0 304.390 2.028 10 0 DEAERO CCOC[C@H]1CCCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000073203348 286178846 /nfs/dbraw/zinc/17/88/46/286178846.db2.gz ALICMFHHAIKYAD-JKSUJKDBSA-N 1 0 313.486 2.421 10 0 DEAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc2c1OCOC2 ZINC000103285731 402183688 /nfs/dbraw/zinc/18/36/88/402183688.db2.gz QCOALAJBCHAWOM-QWRGUYRKSA-N 1 0 324.808 2.292 10 0 DEAERO Cc1ccc(NC(=O)CCc2ccnn2C)c(C[NH+](C)C)c1 ZINC000124522440 402183701 /nfs/dbraw/zinc/18/37/01/402183701.db2.gz XDIKDJFXBJNOLK-UHFFFAOYSA-N 1 0 300.406 2.361 10 0 DEAERO COC[C@@H](C)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000103383379 402186247 /nfs/dbraw/zinc/18/62/47/402186247.db2.gz LSJMITDTNCMEOX-CQSZACIVSA-N 1 0 319.449 2.438 10 0 DEAERO CCc1nn(C)c(Cl)c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154015789 402186974 /nfs/dbraw/zinc/18/69/74/402186974.db2.gz QLWQSCXSEYHOMN-GHMZBOCLSA-N 1 0 312.845 2.191 10 0 DEAERO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](C)COC)cc2)CC1 ZINC000103430401 402187385 /nfs/dbraw/zinc/18/73/85/402187385.db2.gz PPKJDHUTJNSAPM-HNNXBMFYSA-N 1 0 319.449 2.045 10 0 DEAERO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCN(C2CC2)CC1 ZINC000124686163 402191846 /nfs/dbraw/zinc/19/18/46/402191846.db2.gz LTYJLINSZWOSKF-UHFFFAOYSA-N 1 0 313.445 2.203 10 0 DEAERO C[C@@H](C(=O)Nc1nccs1)N1CCC([NH+]2CCCC2)CC1 ZINC000104079226 402197884 /nfs/dbraw/zinc/19/78/84/402197884.db2.gz LSNVAAHHGFNLHT-LBPRGKRZSA-N 1 0 308.451 2.030 10 0 DEAERO CCOC(=O)CCCC[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153650901 402160451 /nfs/dbraw/zinc/16/04/51/402160451.db2.gz HYDABXUPIZVZNR-ZDUSSCGKSA-N 1 0 306.397 2.381 10 0 DEAERO CCn1cnnc1[C@@H]1CCCN(CC[NH+]2CCC(C)CC2)C1 ZINC000153685885 402163341 /nfs/dbraw/zinc/16/33/41/402163341.db2.gz UIRMFFFLQYRPQA-MRXNPFEDSA-N 1 0 305.470 2.209 10 0 DEAERO CCOC(=O)CCC[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000102400187 402167211 /nfs/dbraw/zinc/16/72/11/402167211.db2.gz ORUKYPSOERSBPQ-AWEZNQCLSA-N 1 0 312.454 2.202 10 0 DEAERO CC[C@H](O)CC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000124199891 402168661 /nfs/dbraw/zinc/16/86/61/402168661.db2.gz PPUAONCHHNNBAK-KGLIPLIRSA-N 1 0 300.443 2.384 10 0 DEAERO CCc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)n(C)n1 ZINC000124227878 402170123 /nfs/dbraw/zinc/17/01/23/402170123.db2.gz UWSILHRHQNECAL-CQSZACIVSA-N 1 0 307.442 2.224 10 0 DEAERO O=C(Cc1cccc(Cl)c1)NCCCC[NH+]1CCOCC1 ZINC000067907177 402178136 /nfs/dbraw/zinc/17/81/36/402178136.db2.gz RQPDCCIMOKJAGC-UHFFFAOYSA-N 1 0 310.825 2.111 10 0 DEAERO NC(=O)c1ccc(CN2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000125390905 402229761 /nfs/dbraw/zinc/22/97/61/402229761.db2.gz BJLCDFMSWMKRGO-OAHLLOKOSA-N 1 0 302.399 2.421 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1c(OC)cccc1OC ZINC000125548663 402238144 /nfs/dbraw/zinc/23/81/44/402238144.db2.gz JYMMWTGQKSKATK-CQSZACIVSA-N 1 0 320.433 2.189 10 0 DEAERO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCN1CCCC1=O ZINC000069683221 402238497 /nfs/dbraw/zinc/23/84/97/402238497.db2.gz NVXRDVXQZIRFGQ-INIZCTEOSA-N 1 0 302.418 2.325 10 0 DEAERO NC(=O)c1cccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107697523 402238565 /nfs/dbraw/zinc/23/85/65/402238565.db2.gz NPUNMNLPBVIGKQ-QGZVFWFLSA-N 1 0 301.434 2.236 10 0 DEAERO CCc1nc(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cs1 ZINC000107835488 402241432 /nfs/dbraw/zinc/24/14/32/402241432.db2.gz OQJFBWZHFBRLLL-LBPRGKRZSA-N 1 0 312.483 2.481 10 0 DEAERO COc1ccccc1C[C@H]([NH2+]CCNC(=O)C1CC1)C(C)C ZINC000155457795 402257672 /nfs/dbraw/zinc/25/76/72/402257672.db2.gz YGMDVYYUSQZAPL-INIZCTEOSA-N 1 0 304.434 2.378 10 0 DEAERO C[C@H](c1nnc(-c2ccccc2)o1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926818 402211259 /nfs/dbraw/zinc/21/12/59/402211259.db2.gz BXTDLSHCCGDIOU-UKRRQHHQSA-N 1 0 316.405 2.060 10 0 DEAERO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cc2ccccc2)C[C@H](C)O1 ZINC000070903890 402266222 /nfs/dbraw/zinc/26/62/22/402266222.db2.gz QEQQDJQTUNDZEI-JZXOWHBKSA-N 1 0 316.445 2.329 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(F)ccc2Br)C1 ZINC000071139976 402270076 /nfs/dbraw/zinc/27/00/76/402270076.db2.gz NEMVDPFAZLBBHK-JTQLQIEISA-N 1 0 315.186 2.364 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H](C(=O)OCc2ccccc2)[C@@H]1[NH3+] ZINC000071186771 402270959 /nfs/dbraw/zinc/27/09/59/402270959.db2.gz MWWOMPCCBLHWMK-UONOGXRCSA-N 1 0 320.389 2.272 10 0 DEAERO CCc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)cc1 ZINC000110085410 402281310 /nfs/dbraw/zinc/28/13/10/402281310.db2.gz LWKCFXKMLGBARX-MRXNPFEDSA-N 1 0 305.422 2.481 10 0 DEAERO COC(=O)C1(NC(=O)C[NH2+][C@H](C)C2CCCC2)CCCCC1 ZINC000184665584 402289841 /nfs/dbraw/zinc/28/98/41/402289841.db2.gz NHEGJTAINZKCIF-CYBMUJFWSA-N 1 0 310.438 2.147 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2c(Cl)cccc2OC)C1 ZINC000184764158 402298272 /nfs/dbraw/zinc/29/82/72/402298272.db2.gz ZFGJKCXFLKQSIG-LBPRGKRZSA-N 1 0 310.825 2.492 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176321412 402299658 /nfs/dbraw/zinc/29/96/58/402299658.db2.gz RGFNIDRYSWWBBT-CABCVRRESA-N 1 0 321.469 2.211 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)NCC2CC[NH+](C)CC2)s1 ZINC000176346277 402301706 /nfs/dbraw/zinc/30/17/06/402301706.db2.gz YNAZXOXICNTHJN-NSHDSACASA-N 1 0 311.451 2.231 10 0 DEAERO CNC(=O)[C@H](C)C[N@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000176351949 402302046 /nfs/dbraw/zinc/30/20/46/402302046.db2.gz PKRWPNNLGADHBY-GFCCVEGCSA-N 1 0 317.389 2.164 10 0 DEAERO CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H](C)C(C)C)CC1 ZINC000176392175 402305510 /nfs/dbraw/zinc/30/55/10/402305510.db2.gz PVWWJUQSYXVELG-HNNXBMFYSA-N 1 0 313.486 2.467 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCCOc2ccccc2)[C@@H](C)C1 ZINC000176446403 402310028 /nfs/dbraw/zinc/31/00/28/402310028.db2.gz OFENHPRBHVDZNX-RDJZCZTQSA-N 1 0 319.449 2.483 10 0 DEAERO CCOC(=O)CN(CC[N@H+](C)Cc1ccc(F)cc1)C1CC1 ZINC000159169420 402318241 /nfs/dbraw/zinc/31/82/41/402318241.db2.gz YTFOQGNXJNIUBP-UHFFFAOYSA-N 1 0 308.397 2.285 10 0 DEAERO CC[N@H+](CCc1nccs1)Cc1cc(=O)n2ccccc2n1 ZINC000159191607 402318987 /nfs/dbraw/zinc/31/89/87/402318987.db2.gz HDHPVASFASSABF-UHFFFAOYSA-N 1 0 314.414 2.216 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)N2CCC([NH+](C)C)CC2)s1 ZINC000176567023 402319979 /nfs/dbraw/zinc/31/99/79/402319979.db2.gz FMACOIHKANPKFQ-NSHDSACASA-N 1 0 311.451 2.325 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)N2CCOC3(CCCCC3)C2)[C@@H](C)C1 ZINC000176838681 402342113 /nfs/dbraw/zinc/34/21/13/402342113.db2.gz UVUHOSAREOMBQS-HOTGVXAUSA-N 1 0 323.481 2.460 10 0 DEAERO CC(C)C[C@@H](CO)[N@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000185365518 402347214 /nfs/dbraw/zinc/34/72/14/402347214.db2.gz XHBKBYNDMHSZIX-ZDUSSCGKSA-N 1 0 311.401 2.075 10 0 DEAERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000185368138 402347658 /nfs/dbraw/zinc/34/76/58/402347658.db2.gz CJHOUPKLDNFIBV-HNNXBMFYSA-N 1 0 312.841 2.295 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccccc1Cl ZINC000176903026 402347960 /nfs/dbraw/zinc/34/79/60/402347960.db2.gz MTQLXCFJIRBEEE-LBPRGKRZSA-N 1 0 323.824 2.221 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(Cl)c1 ZINC000176900609 402347975 /nfs/dbraw/zinc/34/79/75/402347975.db2.gz QTYSCWBLEDMJRX-AWEZNQCLSA-N 1 0 323.824 2.221 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(F)c(Br)c2)C1 ZINC000231291765 402354059 /nfs/dbraw/zinc/35/40/59/402354059.db2.gz UBGFGLLIUIRMOT-JTQLQIEISA-N 1 0 315.186 2.364 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C(C)(C)C)nn1C ZINC000176976893 402355916 /nfs/dbraw/zinc/35/59/16/402355916.db2.gz LGMVGNVAVKBDPE-CYBMUJFWSA-N 1 0 306.454 2.274 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1OCCOC ZINC000177016277 402359896 /nfs/dbraw/zinc/35/98/96/402359896.db2.gz JNNSMMKBLVJXJJ-HNNXBMFYSA-N 1 0 320.433 2.268 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCc2ccc(F)cc2)C1 ZINC000177029210 402361099 /nfs/dbraw/zinc/36/10/99/402361099.db2.gz ZGQXOSMWHVSUAZ-CJNGLKHVSA-N 1 0 307.413 2.396 10 0 DEAERO c1ccc(-c2nnc(N3CCC[N@@H+](C4CC4)CC3)s2)nc1 ZINC000185561182 402361444 /nfs/dbraw/zinc/36/14/44/402361444.db2.gz BSKXKCJMXGCVNP-UHFFFAOYSA-N 1 0 301.419 2.275 10 0 DEAERO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000236050417 402365519 /nfs/dbraw/zinc/36/55/19/402365519.db2.gz BYZTVRVISVCSFI-NSHDSACASA-N 1 0 317.614 2.471 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000185640013 402366684 /nfs/dbraw/zinc/36/66/84/402366684.db2.gz JKKQRZCDXPFXQE-HZPDHXFCSA-N 1 0 313.486 2.013 10 0 DEAERO CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C(=O)OC(C)C ZINC000236611684 402368409 /nfs/dbraw/zinc/36/84/09/402368409.db2.gz BKRRPQXGAJWECM-VGWMRTNUSA-N 1 0 324.465 2.390 10 0 DEAERO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000177105672 402370314 /nfs/dbraw/zinc/37/03/14/402370314.db2.gz ZPVRILAWNPVRFW-LLVKDONJSA-N 1 0 309.362 2.014 10 0 DEAERO O=C1[C@@H](N2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1cccc(Cl)c1 ZINC000177143785 402374980 /nfs/dbraw/zinc/37/49/80/402374980.db2.gz CPWXJBAJDZLONJ-CVEARBPZSA-N 1 0 319.836 2.225 10 0 DEAERO C[C@]1(C(N)=O)CCCC[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000185912277 402388669 /nfs/dbraw/zinc/38/86/69/402388669.db2.gz HJBNUOGEAAKBHR-QGZVFWFLSA-N 1 0 314.389 2.009 10 0 DEAERO C[NH+](C)CC1(CNC(=O)[C@@H]2CCCc3n[nH]cc32)CCCC1 ZINC000185858176 402383445 /nfs/dbraw/zinc/38/34/45/402383445.db2.gz WWEZDSMHJVZRBD-CYBMUJFWSA-N 1 0 304.438 2.068 10 0 DEAERO C[C@@]1(CNC(=O)N[C@H]2CCOC2)CCC[N@@H+]1Cc1ccccc1 ZINC000344996475 404491330 /nfs/dbraw/zinc/49/13/30/404491330.db2.gz CIEZBZLJQBEWNR-WMZOPIPTSA-N 1 0 317.433 2.129 10 0 DEAERO CC[C@H]1CN(Cc2csc(C3CC3)n2)CC[N@@H+]1C[C@@H](C)O ZINC000161671482 402395268 /nfs/dbraw/zinc/39/52/68/402395268.db2.gz FMRYXCGASYQHNT-DOMZBBRYSA-N 1 0 309.479 2.298 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000237100553 402395644 /nfs/dbraw/zinc/39/56/44/402395644.db2.gz JSTYJHBWDNABPV-UHFFFAOYSA-N 1 0 323.245 2.366 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCn3ccnc3)C[C@@H]21 ZINC000185997317 402395817 /nfs/dbraw/zinc/39/58/17/402395817.db2.gz YNSFERASDMJBGD-SOUVJXGZSA-N 1 0 320.437 2.118 10 0 DEAERO CCC[C@H](C(=O)Nc1cccc(NC(=O)NCC)c1)[NH+](C)C ZINC000161808619 402399730 /nfs/dbraw/zinc/39/97/30/402399730.db2.gz BPSXKOHZKKNBEJ-CQSZACIVSA-N 1 0 306.410 2.497 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)C1(Cc2ccccc2)CC1 ZINC000177424864 402400580 /nfs/dbraw/zinc/40/05/80/402400580.db2.gz QWJMFDVNFVLUJU-UHFFFAOYSA-N 1 0 316.445 2.238 10 0 DEAERO O[C@@H](COC1CCOCC1)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186152908 402405960 /nfs/dbraw/zinc/40/59/60/402405960.db2.gz FJEYARDVRGABEF-MRXNPFEDSA-N 1 0 317.429 2.090 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000162112649 402409731 /nfs/dbraw/zinc/40/97/31/402409731.db2.gz KEUKKZLVCHRPLP-ZIAGYGMSSA-N 1 0 311.470 2.364 10 0 DEAERO COC(=O)c1ccc(NCC2(C[NH+](C)C)CCCC2)nc1OC ZINC000186329445 402421659 /nfs/dbraw/zinc/42/16/59/402421659.db2.gz UHEQTVWXZZDQRR-UHFFFAOYSA-N 1 0 321.421 2.411 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C12CCOCC2 ZINC000186355987 402424238 /nfs/dbraw/zinc/42/42/38/402424238.db2.gz VRAPECFSUWJTGQ-KGLIPLIRSA-N 1 0 313.438 2.282 10 0 DEAERO Cc1cc(C)n(Cc2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2)n1 ZINC000186394951 402427744 /nfs/dbraw/zinc/42/77/44/402427744.db2.gz YWLFGFKBSFOFBZ-UHFFFAOYSA-N 1 0 324.428 2.198 10 0 DEAERO CCOC(=O)[C@@H](c1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177756043 402432682 /nfs/dbraw/zinc/43/26/82/402432682.db2.gz QHRZDQKNJVLVBK-IAGOWNOFSA-N 1 0 302.418 2.461 10 0 DEAERO c1ccc(-c2noc(CCN3CC[N@@H+]4CCCC[C@@H]4C3)n2)cc1 ZINC000177769249 402434761 /nfs/dbraw/zinc/43/47/61/402434761.db2.gz LPEGRMYXURNBCI-MRXNPFEDSA-N 1 0 312.417 2.449 10 0 DEAERO CN(CC1CCCCC1)C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177776058 402435504 /nfs/dbraw/zinc/43/55/04/402435504.db2.gz QKCIWPGQNYAMKI-QGZVFWFLSA-N 1 0 307.482 2.195 10 0 DEAERO O=C(CSc1ccc(O)cc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186493717 402435541 /nfs/dbraw/zinc/43/55/41/402435541.db2.gz PVGKNNWRKMUTJH-LBPRGKRZSA-N 1 0 306.431 2.227 10 0 DEAERO O=C(CCOc1ccccc1F)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186519280 402438470 /nfs/dbraw/zinc/43/84/70/402438470.db2.gz OQLLWCWJSNNTMM-CYBMUJFWSA-N 1 0 306.381 2.338 10 0 DEAERO Cc1ncc(CN2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC000162978700 402438586 /nfs/dbraw/zinc/43/85/86/402438586.db2.gz WAUAMXUGKZPUMQ-HNNXBMFYSA-N 1 0 308.495 2.053 10 0 DEAERO COc1cc(C)c(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1OC ZINC000186526174 402438971 /nfs/dbraw/zinc/43/89/71/402438971.db2.gz ZAYCKJYTXSXEJZ-ZDUSSCGKSA-N 1 0 318.417 2.369 10 0 DEAERO COc1ccc(OC)c(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186529761 402439105 /nfs/dbraw/zinc/43/91/05/402439105.db2.gz OGWDKPQEGSDQEY-LBPRGKRZSA-N 1 0 304.390 2.060 10 0 DEAERO Cc1noc(C)c1CSCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186541989 402440022 /nfs/dbraw/zinc/44/00/22/402440022.db2.gz AGYALIUBRAUIHX-ZDUSSCGKSA-N 1 0 323.462 2.268 10 0 DEAERO Cc1cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)nn1C(C)(C)C ZINC000186556916 402441493 /nfs/dbraw/zinc/44/14/93/402441493.db2.gz LPVBMCAVWPPCGE-ZDUSSCGKSA-N 1 0 304.438 2.303 10 0 DEAERO Cc1ccc([C@H](CNC(=O)NCC2(CCO)CC2)[NH+](C)C)cc1 ZINC000186618060 402448044 /nfs/dbraw/zinc/44/80/44/402448044.db2.gz RUDJVXQJZYHPQQ-INIZCTEOSA-N 1 0 319.449 2.060 10 0 DEAERO CC[NH+](CC)CCNC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000177337774 402392401 /nfs/dbraw/zinc/39/24/01/402392401.db2.gz SVFOBDBXQSYPHX-ZDUSSCGKSA-N 1 0 323.441 2.381 10 0 DEAERO CCOC(=O)CCC[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000178045523 402455551 /nfs/dbraw/zinc/45/55/51/402455551.db2.gz AZSXKDNLHJDUNO-ZDUSSCGKSA-N 1 0 302.378 2.261 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)NC(=O)C2CCCCC2)C1 ZINC000245401515 402456387 /nfs/dbraw/zinc/45/63/87/402456387.db2.gz 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C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cn1 ZINC000182304912 402679671 /nfs/dbraw/zinc/67/96/71/402679671.db2.gz USFSVSZEAHMYHM-HNNXBMFYSA-N 1 0 301.365 2.123 10 0 DEAERO COCCN1CC[N@H+](CCCOCc2ccccc2)C[C@H]1C ZINC000182341565 402682564 /nfs/dbraw/zinc/68/25/64/402682564.db2.gz QEZIJVSSMAZNMT-QGZVFWFLSA-N 1 0 306.450 2.246 10 0 DEAERO Cc1ccc(Cl)c(OC[C@@H](O)CN2[C@H](C)COC[C@@H]2C)c1 ZINC000182407487 402687045 /nfs/dbraw/zinc/68/70/45/402687045.db2.gz NXFJTPOMLXTCSR-MJBXVCDLSA-N 1 0 313.825 2.497 10 0 DEAERO O=C(NCCc1c[nH]c2ccccc12)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173296061 402691085 /nfs/dbraw/zinc/69/10/85/402691085.db2.gz WSVCIHMNXHGZQL-MRXNPFEDSA-N 1 0 324.428 2.366 10 0 DEAERO COc1ccccc1CCC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000182542921 402698419 /nfs/dbraw/zinc/69/84/19/402698419.db2.gz BCCCEGLNKUDHOO-WMZOPIPTSA-N 1 0 318.461 2.280 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(CCO)Cc1ccc(C)cc1 ZINC000182600598 402703138 /nfs/dbraw/zinc/70/31/38/402703138.db2.gz 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IFXSNAHLMGABGH-LLVKDONJSA-N 1 0 324.384 2.133 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000174953791 402766260 /nfs/dbraw/zinc/76/62/60/402766260.db2.gz LBNSLVQBNJBKEZ-ZDUSSCGKSA-N 1 0 304.394 2.493 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc(F)cc1 ZINC000175010874 402771498 /nfs/dbraw/zinc/77/14/98/402771498.db2.gz PBVIMXFBPOCRHP-HUUCEWRRSA-N 1 0 306.381 2.290 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1cccc(OC)c1 ZINC000175030456 402772893 /nfs/dbraw/zinc/77/28/93/402772893.db2.gz VBRUFTJVXKKWDR-HUUCEWRRSA-N 1 0 318.417 2.159 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccccc1C ZINC000175034856 402773247 /nfs/dbraw/zinc/77/32/47/402773247.db2.gz GSJTVAKJKQDYIH-HZPDHXFCSA-N 1 0 301.434 2.492 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cnccc2N(C)C)C1 ZINC000183516482 402773515 /nfs/dbraw/zinc/77/35/15/402773515.db2.gz HEUYPYPLHOMFSQ-HUUCEWRRSA-N 1 0 318.465 2.245 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(OC)c1OC ZINC000175044720 402774408 /nfs/dbraw/zinc/77/44/08/402774408.db2.gz ICCZUPFKQBWUHI-ZIAGYGMSSA-N 1 0 318.417 2.403 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(F)ccc1F ZINC000175041835 402774415 /nfs/dbraw/zinc/77/44/15/402774415.db2.gz PPALJVTWFRSRTP-UONOGXRCSA-N 1 0 323.387 2.462 10 0 DEAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnccc1N(C)C ZINC000183536208 402774717 /nfs/dbraw/zinc/77/47/17/402774717.db2.gz CFZGHEALGYOXHP-QLFBSQMISA-N 1 0 318.465 2.244 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)COc1ccc(F)cc1 ZINC000175053846 402774792 /nfs/dbraw/zinc/77/47/92/402774792.db2.gz WKBYLZVRGWXYPH-ZACQAIPSSA-N 1 0 322.424 2.124 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cn1 ZINC000175049878 402774969 /nfs/dbraw/zinc/77/49/69/402774969.db2.gz KAPLLJUMDCNQSI-UONOGXRCSA-N 1 0 322.840 2.232 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)c2ncc(C)s2)C1 ZINC000183688579 402789041 /nfs/dbraw/zinc/78/90/41/402789041.db2.gz CHXBSWCAERPEIA-DGCLKSJQSA-N 1 0 310.467 2.339 10 0 DEAERO C[C@H](Oc1ccccc1Cl)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195329334 402842318 /nfs/dbraw/zinc/84/23/18/402842318.db2.gz RPSCJOGAGKTFPL-QWHCGFSZSA-N 1 0 308.809 2.414 10 0 DEAERO CCCO[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000175368457 402800926 /nfs/dbraw/zinc/80/09/26/402800926.db2.gz BPCWJPTUDPLJTD-CVEARBPZSA-N 1 0 311.470 2.461 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[NH+](C(C)C)CC3)nc21 ZINC000175382560 402801696 /nfs/dbraw/zinc/80/16/96/402801696.db2.gz GGUSVPXLBAXJBE-UHFFFAOYSA-N 1 0 314.433 2.357 10 0 DEAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC2 ZINC000183898721 402804161 /nfs/dbraw/zinc/80/41/61/402804161.db2.gz OPCZDHCVUMEYJW-QWHCGFSZSA-N 1 0 322.453 2.426 10 0 DEAERO CC(C)NC(=O)CC[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175410972 402804147 /nfs/dbraw/zinc/80/41/47/402804147.db2.gz WOQZPMLYUNKHTM-ASSNKEHSSA-N 1 0 310.463 2.332 10 0 DEAERO O[C@H](COc1ccccc1Cl)CN1CCC[N@@H+](C2CC2)CC1 ZINC000195339250 402842946 /nfs/dbraw/zinc/84/29/46/402842946.db2.gz JNQRLDDGLXDBCQ-HNNXBMFYSA-N 1 0 324.852 2.250 10 0 DEAERO COc1cc(OC)cc([C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC000175597704 402820416 /nfs/dbraw/zinc/82/04/16/402820416.db2.gz QWSMUCYMKQITQK-CQSZACIVSA-N 1 0 318.417 2.116 10 0 DEAERO Cc1noc2nc(C)cc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c12 ZINC000195073226 402829674 /nfs/dbraw/zinc/82/96/74/402829674.db2.gz NIMCMVZDBTZFED-CYBMUJFWSA-N 1 0 314.389 2.150 10 0 DEAERO COc1cccc(CCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000195075953 402830434 /nfs/dbraw/zinc/83/04/34/402830434.db2.gz KDOJUYPVHQOZRP-MRXNPFEDSA-N 1 0 302.418 2.325 10 0 DEAERO CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CC[C@H](C)O3)c2)CC1 ZINC000184258632 402830735 /nfs/dbraw/zinc/83/07/35/402830735.db2.gz IOISASWDBOEKRO-YOEHRIQHSA-N 1 0 317.433 2.335 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)Nc2ccc([S@@](C)=O)cc2)CC1 ZINC000175767809 402830949 /nfs/dbraw/zinc/83/09/49/402830949.db2.gz BFNPHDOWDUSKCL-JOCHJYFZSA-N 1 0 323.462 2.418 10 0 DEAERO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2COc3ccccc32)C1 ZINC000195197577 402836010 /nfs/dbraw/zinc/83/60/10/402836010.db2.gz YHZZNSJJJRNQTJ-UKRRQHHQSA-N 1 0 303.406 2.151 10 0 DEAERO O=C([C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195252058 402839146 /nfs/dbraw/zinc/83/91/46/402839146.db2.gz YWQSQGMXIXVOJN-NEBZKDRISA-N 1 0 324.346 2.487 10 0 DEAERO CCO[C@@H]1C[C@](O)(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1(C)C ZINC000194190482 402787660 /nfs/dbraw/zinc/78/76/60/402787660.db2.gz YMEXVSZVXJJYCK-HLTONANMSA-N 1 0 323.477 2.490 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)NCC[NH+]2CCCCC2)s1 ZINC000175993438 402846681 /nfs/dbraw/zinc/84/66/81/402846681.db2.gz SKQVHWHYBXDRIU-LBPRGKRZSA-N 1 0 311.451 2.375 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CC[C@H](COCC)C2)CC1 ZINC000176026112 402848585 /nfs/dbraw/zinc/84/85/85/402848585.db2.gz HXLBBZCZQRQLRK-INIZCTEOSA-N 1 0 311.470 2.176 10 0 DEAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)o1 ZINC000195517642 402849523 /nfs/dbraw/zinc/84/95/23/402849523.db2.gz LXYSKVGMDVCSAK-GFCCVEGCSA-N 1 0 319.361 2.212 10 0 DEAERO COCC[C@H](CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000282265109 403137967 /nfs/dbraw/zinc/13/79/67/403137967.db2.gz PNIJVMQSEIIJNY-SNVBAGLBSA-N 1 0 306.175 2.075 10 0 DEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1c(F)cccc1Br ZINC000282346946 403145444 /nfs/dbraw/zinc/14/54/44/403145444.db2.gz MOGORGYJOLZSMT-QPUJVOFHSA-N 1 0 315.186 2.345 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000278046385 403282261 /nfs/dbraw/zinc/28/22/61/403282261.db2.gz XURUPXNGVSGSIL-BFQNTYOBSA-N 1 0 304.390 2.231 10 0 DEAERO c1c(CNC[C@H]2CCC[N@@H+]2Cc2ccccc2)nc2ncccn12 ZINC000298530683 403405891 /nfs/dbraw/zinc/40/58/91/403405891.db2.gz SCWWASUAOLULDW-GOSISDBHSA-N 1 0 321.428 2.484 10 0 DEAERO CC(C)[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CCCO1 ZINC000293177104 403408386 /nfs/dbraw/zinc/40/83/86/403408386.db2.gz XQAHVGSPGVSTFD-ROUUACIJSA-N 1 0 307.434 2.311 10 0 DEAERO CCn1cc(CC[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cn1 ZINC000286380630 403512974 /nfs/dbraw/zinc/51/29/74/403512974.db2.gz ZBZCBGAZMGWCCM-DLBZAZTESA-N 1 0 303.381 2.393 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CCC(=O)CC1 ZINC000343520072 403620289 /nfs/dbraw/zinc/62/02/89/403620289.db2.gz GCNHGUFQTBLXBW-AWEZNQCLSA-N 1 0 302.418 2.382 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000343512705 403617878 /nfs/dbraw/zinc/61/78/78/403617878.db2.gz NEASBKMTLVPJDE-DOMZBBRYSA-N 1 0 318.421 2.274 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc2c1OCCO2 ZINC000294063610 403637526 /nfs/dbraw/zinc/63/75/26/403637526.db2.gz XZISAGBTFUUKMP-INIZCTEOSA-N 1 0 319.401 2.346 10 0 DEAERO O=C(Nc1ccc(C(F)(F)F)nc1)N[C@H]1CCCC[NH2+]C1 ZINC000333107297 403667216 /nfs/dbraw/zinc/66/72/16/403667216.db2.gz FVVTXUCRVVUXNY-VIFPVBQESA-N 1 0 302.300 2.364 10 0 DEAERO CC1(C)Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)c(O)c2O1 ZINC000333116718 403669207 /nfs/dbraw/zinc/66/92/07/403669207.db2.gz YXYILYAYWXUHSC-GFCCVEGCSA-N 1 0 316.401 2.072 10 0 DEAERO C(C[NH+]1CCCCC1)O[C@H]1CCN(c2nc(C3CC3)ns2)C1 ZINC000301857938 403691484 /nfs/dbraw/zinc/69/14/84/403691484.db2.gz SBMPSHMFOAAGCY-AWEZNQCLSA-N 1 0 322.478 2.497 10 0 DEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CCN(c3cc(C)[nH]n3)CC2)C12CCC2 ZINC000333509569 403770259 /nfs/dbraw/zinc/77/02/59/403770259.db2.gz DXONQNFZOUPCHD-KBRIMQKVSA-N 1 0 318.465 2.480 10 0 DEAERO CC[C@@H]1CN(c2ncnc3c(F)cccc32)CC[N@@H+]1CCOC ZINC000302660892 403712625 /nfs/dbraw/zinc/71/26/25/403712625.db2.gz IHFJUFHIGZICFJ-CYBMUJFWSA-N 1 0 318.396 2.316 10 0 DEAERO C[C@H](C1CC1)n1cc(NC(=O)N(C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000333279432 403714764 /nfs/dbraw/zinc/71/47/64/403714764.db2.gz HILJDKGRFPFGNB-IUODEOHRSA-N 1 0 305.426 2.460 10 0 DEAERO C[C@H](C1CC1)n1cc(NC(=O)N(C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000333279428 403715114 /nfs/dbraw/zinc/71/51/14/403715114.db2.gz HILJDKGRFPFGNB-DOMZBBRYSA-N 1 0 305.426 2.460 10 0 DEAERO COc1cnc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000333387732 403740257 /nfs/dbraw/zinc/74/02/57/403740257.db2.gz WYNNUIUBASPPDG-NSHDSACASA-N 1 0 310.423 2.148 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(Cc2cccnc2)CC1 ZINC000333482958 403762664 /nfs/dbraw/zinc/76/26/64/403762664.db2.gz CIUKQNCXCADJKJ-RHSMWYFYSA-N 1 0 316.449 2.044 10 0 DEAERO CC(C)(C)OC(=O)N([C@@H](C(=[NH2+])NO)c1ccncc1)C1CC1 ZINC000409442347 403826242 /nfs/dbraw/zinc/82/62/42/403826242.db2.gz UVDXWURSDRUMOR-GFCCVEGCSA-N 1 0 306.366 2.478 10 0 DEAERO CC(C)Cc1nsc(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000333708385 403826124 /nfs/dbraw/zinc/82/61/24/403826124.db2.gz RXEWDZVYICCRRO-HIFRSBDPSA-N 1 0 324.494 2.459 10 0 DEAERO CC(=O)[C@@](C)(O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000347728922 403830189 /nfs/dbraw/zinc/83/01/89/403830189.db2.gz BFMSOWBYIHDIJD-IBGZPJMESA-N 1 0 316.445 2.101 10 0 DEAERO C[C@H]1CC(CNC(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000333593901 403787483 /nfs/dbraw/zinc/78/74/83/403787483.db2.gz OSRYPCBXFVGIPV-KBPBESRZSA-N 1 0 323.481 2.364 10 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DEAERO CC(C)(C)OC(=O)C[C@H]1CCCN(CC(=O)NC2CCCC2)C1 ZINC000531613860 405984742 /nfs/dbraw/zinc/98/47/42/405984742.db2.gz FHUQJICCILEAPV-CQSZACIVSA-N 1 0 324.465 2.489 10 0 DEAERO CC[C@H]([NH2+]Cc1snc(OC)c1Br)[C@H](C)O ZINC000639236948 405996457 /nfs/dbraw/zinc/99/64/57/405996457.db2.gz UHOLERMQJFCBDT-BQBZGAKWSA-N 1 0 309.229 2.163 10 0 DEAERO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@](O)(CO)C2)c1C ZINC000459656245 405997666 /nfs/dbraw/zinc/99/76/66/405997666.db2.gz VMYLISMNARKGAJ-GOSISDBHSA-N 1 0 305.418 2.134 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2CC)CC12COC2 ZINC000451127682 406059044 /nfs/dbraw/zinc/05/90/44/406059044.db2.gz AODUIFSUMXGPJS-INIZCTEOSA-N 1 0 303.402 2.261 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@]2(C)CCCO2)CC1 ZINC000532290873 406063756 /nfs/dbraw/zinc/06/37/56/406063756.db2.gz COCGOSAICANUMG-KRWDZBQOSA-N 1 0 311.470 2.319 10 0 DEAERO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)CC(=O)NCCc2ccccc2)C1 ZINC000471791196 406119046 /nfs/dbraw/zinc/11/90/46/406119046.db2.gz IFAHNHFJKRKISX-DJIMGWMZSA-N 1 0 304.434 2.281 10 0 DEAERO C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1nc(CC2CC2)no1 ZINC000639613993 406170237 /nfs/dbraw/zinc/17/02/37/406170237.db2.gz WJBRKQFPOZEEKA-DAXOMENPSA-N 1 0 303.406 2.459 10 0 DEAERO O[C@@H](C[NH2+]C[C@@H]1CCCCC(F)(F)C1)CC1(O)CCOCC1 ZINC000634715124 406242578 /nfs/dbraw/zinc/24/25/78/406242578.db2.gz XZXZPRXXVAXBTG-ZIAGYGMSSA-N 1 0 321.408 2.084 10 0 DEAERO COc1cccc(CO[C@@H](C)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000569326282 406237544 /nfs/dbraw/zinc/23/75/44/406237544.db2.gz PDPGYMFSPYZMDP-AWEZNQCLSA-N 1 0 308.422 2.010 10 0 DEAERO COC[C@@H]1CN(c2cc(N3CCCCC3)ncn2)CC(C)(C)O1 ZINC000519772072 406251847 /nfs/dbraw/zinc/25/18/47/406251847.db2.gz MWABBLSLOJJQED-AWEZNQCLSA-N 1 0 320.437 2.097 10 0 DEAERO CC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000632808124 406271375 /nfs/dbraw/zinc/27/13/75/406271375.db2.gz ZDXDMRCVYVKZOY-QGZVFWFLSA-N 1 0 324.384 2.197 10 0 DEAERO C[C@]1(CO)CCC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000546104236 406350076 /nfs/dbraw/zinc/35/00/76/406350076.db2.gz OHIAYGIIIDIJQY-UKRRQHHQSA-N 1 0 317.351 2.456 10 0 DEAERO CCC[C@H](NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C)c1ccccc1 ZINC000488812605 406351160 /nfs/dbraw/zinc/35/11/60/406351160.db2.gz ZUVHKTHBKHPOQX-XIRDDKMYSA-N 1 0 304.434 2.347 10 0 DEAERO CC(=O)N1CCC[C@@H](C[NH2+]Cc2nc3cc(F)ccc3o2)C1 ZINC000634978639 406383923 /nfs/dbraw/zinc/38/39/23/406383923.db2.gz IIMHTXVJQVINFF-LBPRGKRZSA-N 1 0 305.353 2.315 10 0 DEAERO c1c(C[N@@H+]2CCC[C@H]2C2CCCC2)nnn1C[C@@H]1CCOC1 ZINC000637966292 406500495 /nfs/dbraw/zinc/50/04/95/406500495.db2.gz XDWKADJCVXUOIR-YOEHRIQHSA-N 1 0 304.438 2.469 10 0 DEAERO [NH3+]C[C@]1(C(=O)Nc2ccc(Br)cc2)CCCOC1 ZINC000637868385 406454356 /nfs/dbraw/zinc/45/43/56/406454356.db2.gz GSUCQWACSUSNOM-CYBMUJFWSA-N 1 0 313.195 2.143 10 0 DEAERO CN(C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000637869473 406454817 /nfs/dbraw/zinc/45/48/17/406454817.db2.gz WHGXTTBQFFNVLV-QGZVFWFLSA-N 1 0 303.450 2.237 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000490355864 406462871 /nfs/dbraw/zinc/46/28/71/406462871.db2.gz WEGPIPHEDXZJJM-RWMBFGLXSA-N 1 0 307.442 2.370 10 0 DEAERO COC(=O)CC1(CC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CCCC1 ZINC000526051978 406539062 /nfs/dbraw/zinc/53/90/62/406539062.db2.gz BSHKZWHUTAYBLC-HNNXBMFYSA-N 1 0 324.465 2.347 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000637968963 406501239 /nfs/dbraw/zinc/50/12/39/406501239.db2.gz CUMCNYZDJKZNHD-ZWKOTPCHSA-N 1 0 315.461 2.237 10 0 DEAERO C[NH+](C)CCc1ccccc1NC(=O)c1cn2cccnc2n1 ZINC000527363599 406624938 /nfs/dbraw/zinc/62/49/38/406624938.db2.gz NXZXENDYXAIQBS-UHFFFAOYSA-N 1 0 309.373 2.086 10 0 DEAERO C[C@@H]1CCCCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638313508 406692476 /nfs/dbraw/zinc/69/24/76/406692476.db2.gz XJGBCSKFEFTSTQ-NVXWUHKLSA-N 1 0 303.450 2.094 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2ncsc2Br)C1 ZINC000553096369 406735733 /nfs/dbraw/zinc/73/57/33/406735733.db2.gz KYRLFQUJSFOWFR-QMMMGPOBSA-N 1 0 318.240 2.072 10 0 DEAERO c1cc(C[NH2+]CCCN2CCN(c3ccccc3)CC2)sn1 ZINC000638336669 406709810 /nfs/dbraw/zinc/70/98/10/406709810.db2.gz FIAZHXFOTYNXGO-UHFFFAOYSA-N 1 0 316.474 2.445 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000527668140 406710645 /nfs/dbraw/zinc/71/06/45/406710645.db2.gz ZQDKWOAYWDRVRV-NWDGAFQWSA-N 1 0 302.827 2.180 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC000635737557 406718254 /nfs/dbraw/zinc/71/82/54/406718254.db2.gz XSPMAYNTGRZKGO-UHFFFAOYSA-N 1 0 314.429 2.158 10 0 DEAERO COc1cnc(NC(=O)N2CCC[C@@H]2Cn2ccnc2C)s1 ZINC000554368986 406795320 /nfs/dbraw/zinc/79/53/20/406795320.db2.gz ZQKNUTLFPVDNAV-LLVKDONJSA-N 1 0 321.406 2.353 10 0 DEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000643619838 407018455 /nfs/dbraw/zinc/01/84/55/407018455.db2.gz HRXVOBKNXBSCSB-GXSJLCMTSA-N 1 0 317.216 2.407 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)CC(C)(C)OC ZINC000175970949 287220440 /nfs/dbraw/zinc/22/04/40/287220440.db2.gz RJRRGKNTTHOSSW-RRFJBIMHSA-N 1 0 311.470 2.458 10 0 DEAERO C[C@H]([NH3+])c1ccc(Br)cc1N1CCn2cnnc2C1 ZINC000128927954 196004907 /nfs/dbraw/zinc/00/49/07/196004907.db2.gz YXRDLYWYCGSQEV-VIFPVBQESA-N 1 0 322.210 2.081 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(NC(C)=O)cc1 ZINC000246986741 287228800 /nfs/dbraw/zinc/22/88/00/287228800.db2.gz OVHTXSUOBXLZMS-SJORKVTESA-N 1 0 315.417 2.344 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C(C)C)n(C)n1 ZINC000245407601 287229020 /nfs/dbraw/zinc/22/90/20/287229020.db2.gz BWZGFEXRYJTKJZ-KGLIPLIRSA-N 1 0 304.438 2.242 10 0 DEAERO CC[C@@H]([NH3+])Cc1cnc(Sc2nnc(SC)s2)nc1 ZINC000129050887 196014596 /nfs/dbraw/zinc/01/45/96/196014596.db2.gz DZKBWTIOWBKPKD-MRVPVSSYSA-N 1 0 313.477 2.481 10 0 DEAERO CN(c1ccccc1C(N)=[NH2+])S(=O)(=O)CC1CCCCC1 ZINC000129070218 196016690 /nfs/dbraw/zinc/01/66/90/196016690.db2.gz HGYWETGUGVPPNW-UHFFFAOYSA-N 1 0 309.435 2.317 10 0 DEAERO COc1cccc(F)c1[C@@H](C)[NH2+]C1CCS(=O)(=O)CC1 ZINC000129103290 196019058 /nfs/dbraw/zinc/01/90/58/196019058.db2.gz KRGNDRUWLYYVDV-SNVBAGLBSA-N 1 0 301.383 2.062 10 0 DEAERO COc1cccc(CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000129126588 196022014 /nfs/dbraw/zinc/02/20/14/196022014.db2.gz TWTIVLYCYIPXSX-AWEZNQCLSA-N 1 0 320.437 2.154 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])[C@@H](OC)C2CC2)c1Br ZINC000129190453 196027309 /nfs/dbraw/zinc/02/73/09/196027309.db2.gz PVPYCIPPJQPZOY-ZANVPECISA-N 1 0 316.243 2.040 10 0 DEAERO COc1cccc(CNC(=O)NCCC[NH+]2CCC(C)CC2)n1 ZINC000129356371 196041611 /nfs/dbraw/zinc/04/16/11/196041611.db2.gz QTYDXIAGKZQCTE-UHFFFAOYSA-N 1 0 320.437 2.011 10 0 DEAERO C[N@H+](CC[C@H]1COCCN1)Cc1cccc(Br)c1 ZINC000129402408 196044570 /nfs/dbraw/zinc/04/45/70/196044570.db2.gz JVVXCUHLBKHVSJ-AWEZNQCLSA-N 1 0 313.239 2.259 10 0 DEAERO C[N@H+](CC[C@H]1COCCN1)Cc1cc(Br)cs1 ZINC000129419081 196046727 /nfs/dbraw/zinc/04/67/27/196046727.db2.gz SGQDWYJCXAHSLP-NSHDSACASA-N 1 0 319.268 2.321 10 0 DEAERO COc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(Br)c1 ZINC000129532957 196055657 /nfs/dbraw/zinc/05/56/57/196055657.db2.gz OQQFYCUCPJACCA-SNVBAGLBSA-N 1 0 318.211 2.195 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000129555375 196057328 /nfs/dbraw/zinc/05/73/28/196057328.db2.gz ZHJOOEMHKWSNHG-JTQLQIEISA-N 1 0 300.200 2.464 10 0 DEAERO C[C@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000129696390 196068778 /nfs/dbraw/zinc/06/87/78/196068778.db2.gz JHLTUGZPBHUKKK-LBPRGKRZSA-N 1 0 309.841 2.201 10 0 DEAERO COCC[NH2+]C[C@@H](COC)Cc1ccc(Br)cc1 ZINC000129706817 196069561 /nfs/dbraw/zinc/06/95/61/196069561.db2.gz DOHXVCMRXLLACS-ZDUSSCGKSA-N 1 0 316.239 2.490 10 0 DEAERO CC(C)OCCOC[C@H](O)C[NH2+]CCCCC(F)(F)F ZINC000130609920 196095407 /nfs/dbraw/zinc/09/54/07/196095407.db2.gz YTLORVYBPIPOHP-GFCCVEGCSA-N 1 0 301.349 2.111 10 0 DEAERO COc1ccc(C(N)=S)c(NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000130627508 196097175 /nfs/dbraw/zinc/09/71/75/196097175.db2.gz ZQGGCTKKVMBFEA-LBPRGKRZSA-N 1 0 307.463 2.473 10 0 DEAERO CO[C@H]([C@H]([NH3+])Cc1c(Br)c(C)nn1C)C(C)(C)C ZINC000130654504 196098911 /nfs/dbraw/zinc/09/89/11/196098911.db2.gz LYEKFGODVSRTHB-BXKDBHETSA-N 1 0 318.259 2.422 10 0 DEAERO [NH3+]C1CCN([C@H]2CCN(C(=O)c3ccc(Cl)s3)C2)CC1 ZINC000130735378 196105402 /nfs/dbraw/zinc/10/54/02/196105402.db2.gz FFPIQHZSHLANQG-NSHDSACASA-N 1 0 313.854 2.039 10 0 DEAERO CCn1ncnc1C[C@@H]([NH3+])c1sccc1Br ZINC000130753309 196107597 /nfs/dbraw/zinc/10/75/97/196107597.db2.gz HTOJHRHFCLHEQT-MRVPVSSYSA-N 1 0 301.213 2.365 10 0 DEAERO CC[NH2+]C[C@H]1COCCN1Cc1sccc1Br ZINC000130797340 196111021 /nfs/dbraw/zinc/11/10/21/196111021.db2.gz PSPCCPRUDXJIKG-JTQLQIEISA-N 1 0 319.268 2.321 10 0 DEAERO COc1ccc(C(N)=[NH2+])cc1CN(C)Cc1csc(C)n1 ZINC000130877442 196118551 /nfs/dbraw/zinc/11/85/51/196118551.db2.gz ZXPDAHZSSHOHOF-UHFFFAOYSA-N 1 0 304.419 2.376 10 0 DEAERO CC[NH2+][C@@H](Cc1ccn(C)n1)c1ccc(Br)cn1 ZINC000130897244 196120743 /nfs/dbraw/zinc/12/07/43/196120743.db2.gz YAUQKPNZLDRXJY-ZDUSSCGKSA-N 1 0 309.211 2.471 10 0 DEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)NCC[C@H](C)SC)c1 ZINC000130940258 196125299 /nfs/dbraw/zinc/12/52/99/196125299.db2.gz YOIZZYMGZMGCDB-NWDGAFQWSA-N 1 0 316.492 2.387 10 0 DEAERO CC1(C)CC(NS(=O)(=O)C2CC[NH2+]CC2)CC(C)(C)C1 ZINC000131069725 196137090 /nfs/dbraw/zinc/13/70/90/196137090.db2.gz DMUSGCXYASLOPM-UHFFFAOYSA-N 1 0 302.484 2.263 10 0 DEAERO C[C@@H](c1cccs1)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131109181 196140992 /nfs/dbraw/zinc/14/09/92/196140992.db2.gz MQVLNMKMPVZQCZ-STQMWFEESA-N 1 0 316.492 2.413 10 0 DEAERO C[C@H](CNS(=O)(=O)c1ccccc1C[NH3+])c1ccccc1 ZINC000131161869 196145709 /nfs/dbraw/zinc/14/57/09/196145709.db2.gz NEXDZLHWJAGCRF-CYBMUJFWSA-N 1 0 304.415 2.227 10 0 DEAERO C[NH2+][C@H](CCCS(C)(=O)=O)c1cccc(OC(F)F)c1 ZINC000131201824 196149190 /nfs/dbraw/zinc/14/91/90/196149190.db2.gz OKGRTZKYCVJSDF-GFCCVEGCSA-N 1 0 307.362 2.373 10 0 DEAERO CC[NH2+]Cc1ccccc1S(=O)(=O)NCCCC(F)(F)F ZINC000131231460 196152353 /nfs/dbraw/zinc/15/23/53/196152353.db2.gz DUENFRNRPRNEHJ-UHFFFAOYSA-N 1 0 324.368 2.417 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)CCSC)cc1 ZINC000131269872 196156538 /nfs/dbraw/zinc/15/65/38/196156538.db2.gz RURNHGOMCJIMPU-GFCCVEGCSA-N 1 0 316.492 2.216 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@H]1Sc1nc(C)ns1)OCCO2 ZINC000131302057 196159461 /nfs/dbraw/zinc/15/94/61/196159461.db2.gz YYUUIXAXSIEWSZ-WDEREUQCSA-N 1 0 315.464 2.212 10 0 DEAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)cc1Br ZINC000131537989 196178115 /nfs/dbraw/zinc/17/81/15/196178115.db2.gz PHBYXSCHOLJQNA-APPZFPTMSA-N 1 0 319.586 2.015 10 0 DEAERO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2O)cc1C(N)=S ZINC000131717259 196193831 /nfs/dbraw/zinc/19/38/31/196193831.db2.gz QMEOUEGXCLCECD-KGLIPLIRSA-N 1 0 308.447 2.065 10 0 DEAERO CC(C)[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131755395 196196634 /nfs/dbraw/zinc/19/66/34/196196634.db2.gz SMURGFQZXJUOHY-LSDHHAIUSA-N 1 0 302.484 2.169 10 0 DEAERO COC[C@H](C)[C@@H](C[NH3+])N1CCN(c2cccc(Cl)c2)CC1 ZINC000131927168 196211210 /nfs/dbraw/zinc/21/12/10/196211210.db2.gz RPBLDIDJDGVALO-XJKSGUPXSA-N 1 0 311.857 2.072 10 0 DEAERO C[NH2+][C@H](c1cccc(OC2CC2)c1)[C@@H]1CCCCS1(=O)=O ZINC000132359591 196248920 /nfs/dbraw/zinc/24/89/20/196248920.db2.gz QKDXZBCWJXEZQT-JKSUJKDBSA-N 1 0 309.431 2.456 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H](COCc2ccc(F)c(Br)c2)O1 ZINC000132448600 196256627 /nfs/dbraw/zinc/25/66/27/196256627.db2.gz CHWNLSVEDMSCJH-KOLCDFICSA-N 1 0 318.186 2.482 10 0 DEAERO C[C@@H]1N[C@@H](c2cccs2)N(CC2([NH+](C)C)CCCC2)C1=O ZINC000132447110 196257037 /nfs/dbraw/zinc/25/70/37/196257037.db2.gz MECIPWCHRMTLBO-GXTWGEPZSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000132486419 196259500 /nfs/dbraw/zinc/25/95/00/196259500.db2.gz GZUSEKPABKBCLX-NXEZZACHSA-N 1 0 322.352 2.154 10 0 DEAERO CC[C@H](CSC)[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000132604014 196270034 /nfs/dbraw/zinc/27/00/34/196270034.db2.gz ICLHNESHDGPIMP-LLVKDONJSA-N 1 0 310.419 2.128 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000132608486 196270198 /nfs/dbraw/zinc/27/01/98/196270198.db2.gz WPMJDWVIQKPZDM-UONOGXRCSA-N 1 0 304.438 2.210 10 0 DEAERO CCCC[N@H+](CC(N)=O)Cc1ccc(O)c(C(F)(F)F)c1 ZINC000132872837 196292090 /nfs/dbraw/zinc/29/20/90/196292090.db2.gz XMIGVRYAEZHLLQ-UHFFFAOYSA-N 1 0 304.312 2.498 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(Br)c1O ZINC000133823842 196338753 /nfs/dbraw/zinc/33/87/53/196338753.db2.gz SITSNBYNBNTGAB-OIBJUYFYSA-N 1 0 301.184 2.467 10 0 DEAERO CC[NH2+][C@H](c1c(Br)cnn1C)[C@H]1CCO[C@@H]1C ZINC000133863420 196341291 /nfs/dbraw/zinc/34/12/91/196341291.db2.gz CSPIATZILCEYFZ-YWVKMMECSA-N 1 0 302.216 2.258 10 0 DEAERO Cc1ccc(OCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000134010886 196352950 /nfs/dbraw/zinc/35/29/50/196352950.db2.gz UBKIZCCZDTWFGV-PVAVHDDUSA-N 1 0 302.418 2.411 10 0 DEAERO Cc1nc(C[NH3+])sc1-c1nn2c(nnc2C2CCC2)s1 ZINC000134094171 196360472 /nfs/dbraw/zinc/36/04/72/196360472.db2.gz SMKYQAKENLOTNO-UHFFFAOYSA-N 1 0 306.420 2.344 10 0 DEAERO CCc1nn(C)c(C[C@@H](C[C@H](C)OC)[NH2+]C)c1Br ZINC000134466021 196393595 /nfs/dbraw/zinc/39/35/95/196393595.db2.gz SWVQFBNPYFIOJM-VHSXEESVSA-N 1 0 318.259 2.301 10 0 DEAERO CCC[C@@H]1C[NH+]=C(NCc2ccc(S(C)(=O)=O)cc2)S1 ZINC000134481263 196395408 /nfs/dbraw/zinc/39/54/08/196395408.db2.gz UEFFMBCEOSRQSW-GFCCVEGCSA-N 1 0 312.460 2.451 10 0 DEAERO COC(=O)c1cc(Cl)ccc1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134490368 196396437 /nfs/dbraw/zinc/39/64/37/196396437.db2.gz PZRAZPGTMPLREL-SNVBAGLBSA-N 1 0 310.781 2.455 10 0 DEAERO CCC[NH2+][C@@H](CCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000134585880 196403731 /nfs/dbraw/zinc/40/37/31/196403731.db2.gz QHDPTODCCAOPMC-JSGCOSHPSA-N 1 0 301.477 2.484 10 0 DEAERO CC(C)[C@@H]([NH3+])[C@H](O)c1cc(Br)c2c(c1)OCCO2 ZINC000134817984 196421737 /nfs/dbraw/zinc/42/17/37/196421737.db2.gz HTUAZWOUZJPHSY-VXGBXAGGSA-N 1 0 316.195 2.237 10 0 DEAERO CC[NH2+][C@@]1(CO)CC[C@@H](Sc2nnc(SC)s2)C1 ZINC000135603734 196492090 /nfs/dbraw/zinc/49/20/90/196492090.db2.gz QUAZDFXHSAFPJZ-KCJUWKMLSA-N 1 0 305.494 2.245 10 0 DEAERO CCC[C@H]([NH3+])CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000135903134 196508434 /nfs/dbraw/zinc/50/84/34/196508434.db2.gz PFKMRZNGQBICTH-BFHYXJOUSA-N 1 0 300.468 2.017 10 0 DEAERO CC(C)(C)c1cc(C(=O)N[C@@H]2CCCSC2)cc(NN)[nH+]1 ZINC000136620836 196543981 /nfs/dbraw/zinc/54/39/81/196543981.db2.gz ZXRKRNIJEHWTMU-LLVKDONJSA-N 1 0 308.451 2.290 10 0 DEAERO CCC[NH2+]Cc1cccc(S(=O)(=O)N(C)CC(F)F)c1 ZINC000137043540 196561952 /nfs/dbraw/zinc/56/19/52/196561952.db2.gz FMKFKZYGHIQDBF-UHFFFAOYSA-N 1 0 306.378 2.072 10 0 DEAERO COc1ccc(C[C@@H]([NH3+])c2ccnnc2)cc1Br ZINC000137153258 196567204 /nfs/dbraw/zinc/56/72/04/196567204.db2.gz FZJNZGPTUFDWTC-GFCCVEGCSA-N 1 0 308.179 2.490 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC2(CCO)CC2)cc1NC(C)=O ZINC000188076656 225007756 /nfs/dbraw/zinc/00/77/56/225007756.db2.gz FCXDZWBKIZBIRQ-GFCCVEGCSA-N 1 0 306.406 2.467 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194314726 225178920 /nfs/dbraw/zinc/17/89/20/225178920.db2.gz YZCKIFIQSKIKFC-UHFFFAOYSA-N 1 0 304.394 2.258 10 0 DEAERO O[C@H](C[C@H]1CCC[N@H+]1C[C@@H](O)CC(F)(F)F)c1ccco1 ZINC000248934790 225241886 /nfs/dbraw/zinc/24/18/86/225241886.db2.gz BTZSAGAUJGQRGL-GRYCIOLGSA-N 1 0 307.312 2.481 10 0 DEAERO C[C@H](CC(N)=O)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000135720414 274474460 /nfs/dbraw/zinc/47/44/60/274474460.db2.gz NRCUUTALIDQMPU-LDYMZIIASA-N 1 0 313.195 2.126 10 0 DEAERO COc1cc2c(cc1F)ncnc2NCC1([NH+](C)C)CCCC1 ZINC000548153966 424869240 /nfs/dbraw/zinc/86/92/40/424869240.db2.gz VGTAQGCRRYZZQU-UHFFFAOYSA-N 1 0 318.396 3.064 10 0 DEAERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)cc1 ZINC000193744991 424871343 /nfs/dbraw/zinc/87/13/43/424871343.db2.gz SLGAZABTRTTXDF-KBPBESRZSA-N 1 0 319.449 2.054 10 0 DEAERO CSc1cccc(NC(=O)CN2CCC([NH+](C)C)CC2)c1 ZINC000193804679 424871521 /nfs/dbraw/zinc/87/15/21/424871521.db2.gz JXZIRELHZPGMGL-UHFFFAOYSA-N 1 0 307.463 2.373 10 0 DEAERO CC(=O)Nc1ccc2nc(NC(=O)C[C@@H]3CC[NH2+]C3)sc2c1 ZINC000127956792 424856726 /nfs/dbraw/zinc/85/67/26/424856726.db2.gz HBYPPAKZXNFAAM-JTQLQIEISA-N 1 0 318.402 2.193 10 0 DEAERO C[C@H](CNC(=O)C1CCC([NH3+])CC1)COCc1ccccc1 ZINC000390165241 424916912 /nfs/dbraw/zinc/91/69/12/424916912.db2.gz DRCLKHMCUSLALF-ODIFPOPNSA-N 1 0 304.434 2.473 10 0 DEAERO CC[C@@H]1CN(CC(=O)N(CC)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000390767110 424917562 /nfs/dbraw/zinc/91/75/62/424917562.db2.gz RTIJTUUTSNZFLV-IAGOWNOFSA-N 1 0 303.450 2.094 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2cccc(Br)c2F)CCOC1 ZINC000404154377 424925503 /nfs/dbraw/zinc/92/55/03/424925503.db2.gz RWKFCZQIFNYJTE-ZDUSSCGKSA-N 1 0 318.186 2.219 10 0 DEAERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(C)s1 ZINC000404662519 424927883 /nfs/dbraw/zinc/92/78/83/424927883.db2.gz YALHSAHDBIFIFX-UHFFFAOYSA-N 1 0 310.444 2.254 10 0 DEAERO [NH3+]CC1(CCNC(=O)c2ccc(F)c(Br)c2)CC1 ZINC000404531872 424928353 /nfs/dbraw/zinc/92/83/53/424928353.db2.gz ZMVBZNYFEMQTEQ-UHFFFAOYSA-N 1 0 315.186 2.447 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2nscc2Br)C1 ZINC000404801442 424929574 /nfs/dbraw/zinc/92/95/74/424929574.db2.gz KWUXFVWFFXYICL-MRVPVSSYSA-N 1 0 318.240 2.072 10 0 DEAERO CC[C@@H]1CN(C(=O)c2nscc2Br)CC[C@@H]1[NH3+] ZINC000404804751 424929980 /nfs/dbraw/zinc/92/99/80/424929980.db2.gz XDZRCGIDNAVIMY-APPZFPTMSA-N 1 0 318.240 2.105 10 0 DEAERO C[NH+]1CCC(n2ccc(NC(=O)c3ccoc3C3CC3)n2)CC1 ZINC000374191341 424889317 /nfs/dbraw/zinc/88/93/17/424889317.db2.gz ARJFFCJTANZNNI-UHFFFAOYSA-N 1 0 314.389 2.873 10 0 DEAERO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000576645831 424950502 /nfs/dbraw/zinc/95/05/02/424950502.db2.gz YKQRJUDOUILGKM-ZDUSSCGKSA-N 1 0 305.422 2.608 10 0 DEAERO CC[N@H+](CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)C1CC1 ZINC000029912989 267364456 /nfs/dbraw/zinc/36/44/56/267364456.db2.gz BMPNOAPEAUFLBJ-LBPRGKRZSA-N 1 0 304.390 2.119 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096836 267379247 /nfs/dbraw/zinc/37/92/47/267379247.db2.gz IRPPYUQMFCEVRR-CZUORRHYSA-N 1 0 307.413 2.426 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000083993132 267380655 /nfs/dbraw/zinc/38/06/55/267380655.db2.gz BIRKKKPMZROBDW-AWEZNQCLSA-N 1 0 318.442 2.412 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccco2)n1 ZINC000088229331 267398338 /nfs/dbraw/zinc/39/83/38/267398338.db2.gz NVVVVSYAYNAQJH-HNNXBMFYSA-N 1 0 318.421 2.244 10 0 DEAERO COc1ccc(Br)c(C[NH2+]C2CC(CO)C2)c1 ZINC000657813338 425403827 /nfs/dbraw/zinc/40/38/27/425403827.db2.gz TYWWYJTYUQVLPG-UHFFFAOYSA-N 1 0 300.196 2.318 10 0 DEAERO C[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)[C@H]1CCO ZINC000661492357 425423554 /nfs/dbraw/zinc/42/35/54/425423554.db2.gz YIVNOWRSUFWACU-NJAFHUGGSA-N 1 0 307.434 2.047 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000174611749 267501967 /nfs/dbraw/zinc/50/19/67/267501967.db2.gz TYMAPVJTZFSSQW-MRXNPFEDSA-N 1 0 304.438 2.204 10 0 DEAERO CC(C)c1ccc([C@@H](C)NC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000178920638 267590092 /nfs/dbraw/zinc/59/00/92/267590092.db2.gz RIVMTPVXSKRFGZ-RDTXWAMCSA-N 1 0 321.465 2.483 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182269480 267618222 /nfs/dbraw/zinc/61/82/22/267618222.db2.gz DVAPPDIYSZEZOL-LLVKDONJSA-N 1 0 320.359 2.296 10 0 DEAERO COC[C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000193677676 267764151 /nfs/dbraw/zinc/76/41/51/267764151.db2.gz OUBOCTUXUDMSDM-BXUZGUMPSA-N 1 0 319.854 2.298 10 0 DEAERO CN(C(=O)CSc1ccc(F)cc1)[C@H](C[NH3+])C(F)(F)F ZINC000662977430 425770053 /nfs/dbraw/zinc/77/00/53/425770053.db2.gz UAZZGNLBALEYPV-SNVBAGLBSA-N 1 0 310.316 2.266 10 0 DEAERO COC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000662859057 425750436 /nfs/dbraw/zinc/75/04/36/425750436.db2.gz NIMFONQSSWDWIA-VIFPVBQESA-N 1 0 321.602 2.323 10 0 DEAERO O=C(Nc1ccc(F)c(Br)c1F)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662921416 425761791 /nfs/dbraw/zinc/76/17/91/425761791.db2.gz NEJGCXHQBYWDEH-YLWLKBPMSA-N 1 0 323.112 2.366 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000237010055 268591390 /nfs/dbraw/zinc/59/13/90/268591390.db2.gz MWFDXZLVRQWILR-MEBBXXQBSA-N 1 0 303.406 2.199 10 0 DEAERO C[C@@H](NC(=O)Nc1cnc2c(c1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000333111501 268885933 /nfs/dbraw/zinc/88/59/33/268885933.db2.gz GOFLXGARNASOLL-OCCSQVGLSA-N 1 0 302.422 2.470 10 0 DEAERO CCO[C@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)C12CCCC2 ZINC000333316093 268924947 /nfs/dbraw/zinc/92/49/47/268924947.db2.gz SUZBKZGXKGLUMC-CABCVRRESA-N 1 0 321.465 2.262 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[NH2+][C@H]2C)no1 ZINC000333898256 269002355 /nfs/dbraw/zinc/00/23/55/269002355.db2.gz ZJNBLZOENLAIKA-XQQFMLRXSA-N 1 0 321.425 2.180 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCC2(CO)CC2)C1 ZINC000395951507 269103122 /nfs/dbraw/zinc/10/31/22/269103122.db2.gz OYZCWCKCPIKHBF-CQSZACIVSA-N 1 0 312.454 2.386 10 0 DEAERO CC[C@@H](C)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397645423 269106653 /nfs/dbraw/zinc/10/66/53/269106653.db2.gz UXIQVFXNRHKLRI-OAHLLOKOSA-N 1 0 304.434 2.176 10 0 DEAERO CNC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cs2)C1 ZINC000398560960 269109506 /nfs/dbraw/zinc/10/95/06/269109506.db2.gz LWACGRPOWZESTF-MRVPVSSYSA-N 1 0 303.225 2.079 10 0 DEAERO c1nc2cc(C[NH2+][C@H]3CCCN(c4ncccn4)C3)ccc2[nH]1 ZINC000517542046 269386904 /nfs/dbraw/zinc/38/69/04/269386904.db2.gz KPLQPIVWEJEJJU-AWEZNQCLSA-N 1 0 308.389 2.112 10 0 DEAERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnn2c1CCCC2 ZINC000127200128 274487540 /nfs/dbraw/zinc/48/75/40/274487540.db2.gz SASZADHGQWRDMT-RBSFLKMASA-N 1 0 318.465 2.316 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)Nc1nc(-c2ccccn2)cs1 ZINC000238069516 274977257 /nfs/dbraw/zinc/97/72/57/274977257.db2.gz NPZXQHUIFZNCKI-SNVBAGLBSA-N 1 0 320.443 2.239 10 0 DEAERO CC1(C)CC(n2c(=O)[nH]c3ccccc3c2=O)CC(C)(C)[NH2+]1 ZINC000042656930 276100724 /nfs/dbraw/zinc/10/07/24/276100724.db2.gz HFMWTJTZJKMGCR-UHFFFAOYSA-N 1 0 301.390 2.172 10 0 DEAERO CC1(C)C[C@@H]([NH2+][C@H]2CCCS(=O)(=O)C2)c2ccccc2O1 ZINC000128969162 276143756 /nfs/dbraw/zinc/14/37/56/276143756.db2.gz XGUOTPBJEMTUNM-GXTWGEPZSA-N 1 0 309.431 2.456 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2cccnc21 ZINC000194551977 276168968 /nfs/dbraw/zinc/16/89/68/276168968.db2.gz XGTAZBUBTFITEE-HZPDHXFCSA-N 1 0 301.434 2.444 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000246418252 276171624 /nfs/dbraw/zinc/17/16/24/276171624.db2.gz SIWJAESCNSNILD-KGLIPLIRSA-N 1 0 305.426 2.131 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C)cc(OC)c1O ZINC000177424563 276181708 /nfs/dbraw/zinc/18/17/08/276181708.db2.gz OAXFNXHITVVRPE-ZDUSSCGKSA-N 1 0 306.406 2.266 10 0 DEAERO CCC[C@H](C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1)[NH+](C)C ZINC000155134178 276282171 /nfs/dbraw/zinc/28/21/71/276282171.db2.gz ZHQQRNLRZKZYFG-XJKSGUPXSA-N 1 0 315.421 2.175 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CSCCS2)C12CCOCC2 ZINC000186378674 276345240 /nfs/dbraw/zinc/34/52/40/276345240.db2.gz FIQFFCDJMISEAR-MGPQQGTHSA-N 1 0 317.520 2.399 10 0 DEAERO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1cccs1 ZINC000180928490 276435754 /nfs/dbraw/zinc/43/57/54/276435754.db2.gz JWJJERDQRBLTPM-OLZOCXBDSA-N 1 0 324.446 2.343 10 0 DEAERO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337312074 276824407 /nfs/dbraw/zinc/82/44/07/276824407.db2.gz WTORYAZBMGPUKW-ZJCQAOIJSA-N 1 0 322.474 2.397 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3COc4ccccc43)CC[C@H]21 ZINC000247968116 277067085 /nfs/dbraw/zinc/06/70/85/277067085.db2.gz HAUSRBIUKCQMFU-FVQBIDKESA-N 1 0 300.402 2.105 10 0 DEAERO CC(C)(C)NC(=O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229689 277166413 /nfs/dbraw/zinc/16/64/13/277166413.db2.gz BBAOBAHQVQTVKI-MRXNPFEDSA-N 1 0 309.498 2.489 10 0 DEAERO CC(C)C[C@@H](C)S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000074370041 277434931 /nfs/dbraw/zinc/43/49/31/277434931.db2.gz FXLNARXQJUMJAH-HUUCEWRRSA-N 1 0 302.484 2.311 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]C2CCOCC2)c2ccc(F)cc2C1 ZINC000184518501 278055349 /nfs/dbraw/zinc/05/53/49/278055349.db2.gz RKTCGTRHFQCEGM-KRWDZBQOSA-N 1 0 306.381 2.388 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1)c1cccs1 ZINC000038043146 278329218 /nfs/dbraw/zinc/32/92/18/278329218.db2.gz LXTNIBJESDZUJV-OCCSQVGLSA-N 1 0 307.463 2.142 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(N(C)C)n1 ZINC000181931323 278332745 /nfs/dbraw/zinc/33/27/45/278332745.db2.gz HVFNRSOJYZLYRW-ZDUSSCGKSA-N 1 0 305.426 2.144 10 0 DEAERO C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329007443 278335063 /nfs/dbraw/zinc/33/50/63/278335063.db2.gz YHZRNGOPURNXKP-ZOMKSWQUSA-N 1 0 304.438 2.108 10 0 DEAERO C[C@H]1CN(C(=O)c2coc(C[NH3+])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000187862329 278419094 /nfs/dbraw/zinc/41/90/94/278419094.db2.gz JPYCDGFDKWBLFG-MEDUHNTESA-N 1 0 318.348 2.480 10 0 DEAERO CCCC[C@H](COC)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000128742320 278736701 /nfs/dbraw/zinc/73/67/01/278736701.db2.gz 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CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2c(C)noc2C)[C@H](C)C1 ZINC000128675345 521711825 /nfs/dbraw/zinc/71/18/25/521711825.db2.gz JMZZFFDNRGXJEQ-IAQYHMDHSA-N 1 0 308.426 2.163 10 0 DEAERO O=C(C[C@@H]1CCCCC(=O)N1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000328681156 534686937 /nfs/dbraw/zinc/68/69/37/534686937.db2.gz UYIDTHSYOOMTHX-LSDHHAIUSA-N 1 0 307.438 2.362 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC000249581060 523485548 /nfs/dbraw/zinc/48/55/48/523485548.db2.gz RBFJMOMZUVSKHS-KFWWJZLASA-N 1 0 323.481 2.013 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1 ZINC000362410340 534739735 /nfs/dbraw/zinc/73/97/35/534739735.db2.gz JXPYXFCWBDGHTJ-QGZVFWFLSA-N 1 0 317.433 2.082 10 0 DEAERO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1 ZINC000248841837 524181563 /nfs/dbraw/zinc/18/15/63/524181563.db2.gz QBACXPRUQIYJII-YYIAUSFCSA-N 1 0 307.434 2.277 10 0 DEAERO C[C@@H](C[NH2+]Cc1cccc2c1OC(C)(C)C2)N1CCOCC1 ZINC000161583867 524744614 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C[NH2+]C1CCN(Cc2ccnn2-c2ccccc2OC)CC1 ZINC000261648149 536440342 /nfs/dbraw/zinc/44/03/42/536440342.db2.gz ATNFTPYBAGNKTG-UHFFFAOYSA-N 1 0 300.406 2.065 10 0 DEAERO O=C([C@@H]1CC12CC[NH2+]CC2)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000237928342 526461651 /nfs/dbraw/zinc/46/16/51/526461651.db2.gz HTGPGENGQPRPQJ-HOTGVXAUSA-N 1 0 306.450 2.326 10 0 DEAERO c1cnnc(N2CC[NH+](CCCCC3CCOCC3)CC2)c1 ZINC000337127149 526560630 /nfs/dbraw/zinc/56/06/30/526560630.db2.gz GLWLCTUTZBLEFT-UHFFFAOYSA-N 1 0 304.438 2.196 10 0 DEAERO Cc1nc(CCNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)sc1C ZINC000150946873 526819581 /nfs/dbraw/zinc/81/95/81/526819581.db2.gz DJOPRIKMDHMFME-FZMZJTMJSA-N 1 0 324.494 2.330 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])s1 ZINC000261795552 536503114 /nfs/dbraw/zinc/50/31/14/536503114.db2.gz MGONVJRYTKOJIE-WCQGTBRESA-N 1 0 311.451 2.358 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000246250951 527369937 /nfs/dbraw/zinc/36/99/37/527369937.db2.gz 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CC[C@@]1(C)CCC[N@@H+]([C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000247566572 536040821 /nfs/dbraw/zinc/04/08/21/536040821.db2.gz RHLVTRJZVGFNIL-YOEHRIQHSA-N 1 0 304.438 2.346 10 0 DEAERO C[NH+]1CCC(NC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000193137612 536340614 /nfs/dbraw/zinc/34/06/14/536340614.db2.gz SIOVMTIMDWXMTP-UHFFFAOYSA-N 1 0 312.417 2.330 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000261611308 536349881 /nfs/dbraw/zinc/34/98/81/536349881.db2.gz AVUZXVRFRBYVPI-QWHCGFSZSA-N 1 0 314.389 2.049 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnc[nH]2)[C@@H]1c1cccs1 ZINC000357219379 536364414 /nfs/dbraw/zinc/36/44/14/536364414.db2.gz KXDBYVNUSVDRMS-SMDDNHRTSA-N 1 0 304.419 2.284 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])s1 ZINC000261795555 536502304 /nfs/dbraw/zinc/50/23/04/536502304.db2.gz MGONVJRYTKOJIE-YUSALJHKSA-N 1 0 311.451 2.358 10 0 DEAERO COc1ccc(Cl)c(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000192000632 536539578 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2.279 10 0 DEAERO CN(CC1CC1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000726973833 637491664 /nfs/dbraw/zinc/49/16/64/637491664.db2.gz PQQXUPPZGMNSJT-MJGOQNOKSA-N 1 0 316.445 2.443 10 0 DEAERO Cn1cc(-c2cccc(C(=O)NCCCC[NH+](C)C)c2)cn1 ZINC000741690714 638003024 /nfs/dbraw/zinc/00/30/24/638003024.db2.gz GPOJIJBCYBAODU-UHFFFAOYSA-N 1 0 300.406 2.159 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NCc2cccc(F)n2)CC1 ZINC000749240439 638627326 /nfs/dbraw/zinc/62/73/26/638627326.db2.gz NEJALSPIATXKKT-UHFFFAOYSA-N 1 0 322.428 2.484 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000752348995 639174612 /nfs/dbraw/zinc/17/46/12/639174612.db2.gz RHXRDFSFXJPNNF-IRXDYDNUSA-N 1 0 316.445 2.491 10 0 DEAERO COCCNC(=S)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728444579 639187785 /nfs/dbraw/zinc/18/77/85/639187785.db2.gz ABBWRDFAQLNUSU-OAHLLOKOSA-N 1 0 313.511 2.095 10 0 DEAERO Cn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000321858189 640531891 /nfs/dbraw/zinc/53/18/91/640531891.db2.gz DWASJXXLNJSWJD-JOCQHMNTSA-N 1 0 308.426 2.346 10 0 DEAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806148925 645803106 /nfs/dbraw/zinc/80/31/06/645803106.db2.gz ZPAYBDGIERNDBD-CMPLNLGQSA-N 1 0 308.813 2.116 10 0 DEAERO CON(C)C(=O)CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000806625453 645854496 /nfs/dbraw/zinc/85/44/96/645854496.db2.gz GHQBPFYGDCWZOT-KRWDZBQOSA-N 1 0 322.405 2.154 10 0 DEAERO CON(C)C(=O)CC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000806627240 645854690 /nfs/dbraw/zinc/85/46/90/645854690.db2.gz OHQWVUDZNBFTMD-SNVBAGLBSA-N 1 0 302.321 2.349 10 0 DEAERO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC12OCCO2 ZINC000806722148 645864063 /nfs/dbraw/zinc/86/40/63/645864063.db2.gz WAZDLUSGVGHUSD-CVEARBPZSA-N 1 0 324.465 2.300 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000075685292 646642213 /nfs/dbraw/zinc/64/22/13/646642213.db2.gz UENIQGVOEUBLDP-WBVHZDCISA-N 1 0 304.434 2.314 10 0 DEAERO CC/C=C(/C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(N)c2)C1 ZINC000229576407 646692709 /nfs/dbraw/zinc/69/27/09/646692709.db2.gz LSTLPZXMQVJGCA-YLIUPVCFSA-N 1 0 302.422 2.072 10 0 DEAERO COCCn1c(C)c(C)n(CN2CC[N@@H+]3CCC[C@@H]3C2)c1=S ZINC000172503952 646740293 /nfs/dbraw/zinc/74/02/93/646740293.db2.gz ITSPQTHIIZVRHQ-OAHLLOKOSA-N 1 0 324.494 2.020 10 0 DEAERO C[C@H](CNCc1nc(Br)c[nH]1)C[NH+]1CCCCC1 ZINC000311227397 646833132 /nfs/dbraw/zinc/83/31/32/646833132.db2.gz QANLQRRCXGJWII-LLVKDONJSA-N 1 0 315.259 2.384 10 0 DEAERO COCCN(CC[NH+](C)C)C(=O)/C=C(/C)c1cccc(F)c1 ZINC000732074724 647539494 /nfs/dbraw/zinc/53/94/94/647539494.db2.gz RZHXCDABWPNZIR-OWBHPGMISA-N 1 0 308.397 2.266 10 0 DEAERO CCCC(=O)NCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183201456 649047224 /nfs/dbraw/zinc/04/72/24/649047224.db2.gz OHRJKGOAKMMXCO-INIZCTEOSA-N 1 0 318.417 2.111 10 0 DEAERO COc1ccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000071815644 649212522 /nfs/dbraw/zinc/21/25/22/649212522.db2.gz CZTDKLQEINHCBI-INIZCTEOSA-N 1 0 307.390 2.209 10 0 DEAERO Cc1cc(COC(=O)c2cnn(CC[NH+]3CCCCC3)c2)no1 ZINC000071921392 649241572 /nfs/dbraw/zinc/24/15/72/649241572.db2.gz RMGWXRPETOJTTQ-UHFFFAOYSA-N 1 0 318.377 2.022 10 0 DEAERO Cc1cc2ncn(CN3CCO[C@]4(CCOC4)C3)c2cc1C ZINC000184269265 649252074 /nfs/dbraw/zinc/25/20/74/649252074.db2.gz XFDLIONPQGJLDL-QGZVFWFLSA-N 1 0 301.390 2.102 10 0 DEAERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCCC1 ZINC000184919382 649408613 /nfs/dbraw/zinc/40/86/13/649408613.db2.gz IQJIDAPJVLUIOK-SEYXRHQNSA-N 1 0 303.362 2.210 10 0 DEAERO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)N1CCOCC1 ZINC000185270420 649485717 /nfs/dbraw/zinc/48/57/17/649485717.db2.gz QZOXFCINCSKBLY-LLVKDONJSA-N 1 0 313.785 2.059 10 0 DEAERO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185306555 649494626 /nfs/dbraw/zinc/49/46/26/649494626.db2.gz OTTIUIQFKOSXDS-MNOVXSKESA-N 1 0 311.769 2.382 10 0 DEAERO COCc1ccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000073190069 649659937 /nfs/dbraw/zinc/65/99/37/649659937.db2.gz RNXGTWATAOUVRP-KRWDZBQOSA-N 1 0 321.417 2.347 10 0 DEAERO COCC[N@@H+]1CCN(C[C@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000105833535 651223292 /nfs/dbraw/zinc/22/32/92/651223292.db2.gz LXTZCJWHGDBUEX-CJNGLKHVSA-N 1 0 312.841 2.026 10 0 DEAERO CC/C=C(/C)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415137 651951530 /nfs/dbraw/zinc/95/15/30/651951530.db2.gz AXLAGRBSORAFFZ-UUASQNMZSA-N 1 0 316.449 2.148 10 0 DEAERO CC(C)c1ccc(NC(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000111220870 652534356 /nfs/dbraw/zinc/53/43/56/652534356.db2.gz UWTIGLZASBEJTK-UKRRQHHQSA-N 1 0 317.433 2.334 10 0 DEAERO CN(C(=O)c1coc(Br)c1)C1CCC([NH3+])CC1 ZINC000378913729 685389307 /nfs/dbraw/zinc/38/93/07/685389307.db2.gz LEELCTMTFLQEPU-UHFFFAOYSA-N 1 0 301.184 2.384 10 0 DEAERO [NH3+][C@@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000379667365 685393010 /nfs/dbraw/zinc/39/30/10/685393010.db2.gz ZJIPUNVGYQBXCB-ROUUACIJSA-N 1 0 315.461 2.285 10 0 DEAERO CC[S@@](=O)CC[NH2+]Cc1ccc(OC)cc1Br ZINC000380139533 685395607 /nfs/dbraw/zinc/39/56/07/685395607.db2.gz PVPMHRIDWXFERO-QGZVFWFLSA-N 1 0 320.252 2.316 10 0 DEAERO CN(C1(C[NH3+])CCC1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000385341273 685413692 /nfs/dbraw/zinc/41/36/92/685413692.db2.gz MKIGNTXLEYOIRB-JXMROGBWSA-N 1 0 314.838 2.454 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+]CCc2ccccc2)CC1 ZINC000037142913 683881922 /nfs/dbraw/zinc/88/19/22/683881922.db2.gz ICDFUCIRUKRFQK-UHFFFAOYSA-N 1 0 310.463 2.023 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CCC[C@@H]1O)c1ccc(C(F)(F)F)cc1 ZINC000089168569 684019962 /nfs/dbraw/zinc/01/99/62/684019962.db2.gz QENZZFSSERESIL-KWCYVHTRSA-N 1 0 303.324 2.489 10 0 DEAERO OCCC1(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000097817997 684055388 /nfs/dbraw/zinc/05/53/88/684055388.db2.gz NLQIIQLRDSKALF-ZDUSSCGKSA-N 1 0 303.324 2.491 10 0 DEAERO [NH3+][C@H]1CCCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000103538031 684058045 /nfs/dbraw/zinc/05/80/45/684058045.db2.gz OZMUEAQWCUBWDK-JWJUJFCLSA-N 1 0 300.811 2.064 10 0 DEAERO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(C)C)c2)C1 ZINC000122586628 684116993 /nfs/dbraw/zinc/11/69/93/684116993.db2.gz NCZLAJCKNCWYED-AWEZNQCLSA-N 1 0 310.463 2.430 10 0 DEAERO CC[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc2c(c1)CCO2 ZINC000125558397 684146642 /nfs/dbraw/zinc/14/66/42/684146642.db2.gz SERIZPIVDVAIIN-FUHWJXTLSA-N 1 0 305.418 2.451 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)CCC(=O)c2ccc(C)c(C)c2)C1 ZINC000133506184 684220396 /nfs/dbraw/zinc/22/03/96/684220396.db2.gz WCOLKHRSDIHHKX-MRXNPFEDSA-N 1 0 302.418 2.477 10 0 DEAERO COc1cc(F)ccc1N1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000155748883 684279058 /nfs/dbraw/zinc/27/90/58/684279058.db2.gz HRJWZIGJEVPKFD-UHFFFAOYSA-N 1 0 323.412 2.002 10 0 DEAERO CC(C)Cc1ccc([C@@H](C)[NH2+]CC2CN(S(C)(=O)=O)C2)cc1 ZINC000187820443 684343787 /nfs/dbraw/zinc/34/37/87/684343787.db2.gz KZMQYJHSHLGMHY-CQSZACIVSA-N 1 0 324.490 2.427 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]nc3c2CCCC3)[C@H](C)C1 ZINC000188949333 684368099 /nfs/dbraw/zinc/36/80/99/684368099.db2.gz JKVKPAYIMNRKGI-DYVFJYSZSA-N 1 0 318.465 2.020 10 0 DEAERO CO[C@@H]1CN(Cn2c(=O)sc3c2CC[C@H](C)C3)CC[C@@H]1C ZINC000190190257 684397640 /nfs/dbraw/zinc/39/76/40/684397640.db2.gz MFBXCIQZTNBQIS-SGMGOOAPSA-N 1 0 310.463 2.349 10 0 DEAERO Cc1cccc2c1OCC[C@@H]2NC(=O)NCC[N@@H+](C)C(C)C ZINC000190470324 684406871 /nfs/dbraw/zinc/40/68/71/684406871.db2.gz WCJNGDWMAZKDHV-HNNXBMFYSA-N 1 0 305.422 2.458 10 0 DEAERO Cc1nnc(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)o1 ZINC000191907138 684438697 /nfs/dbraw/zinc/43/86/97/684438697.db2.gz YYCCGXKKVFTKKJ-NWDGAFQWSA-N 1 0 310.398 2.161 10 0 DEAERO CCc1nnc(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000191913639 684438892 /nfs/dbraw/zinc/43/88/92/684438892.db2.gz ZYCZJACGDSUSQK-VXGBXAGGSA-N 1 0 324.425 2.415 10 0 DEAERO CCCn1cc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cn1 ZINC000246081836 685122762 /nfs/dbraw/zinc/12/27/62/685122762.db2.gz UANRMTFXIOEGRB-UKRRQHHQSA-N 1 0 307.442 2.487 10 0 DEAERO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O ZINC000249317324 685177926 /nfs/dbraw/zinc/17/79/26/685177926.db2.gz PSAFIACGCRDMHA-OIISXLGYSA-N 1 0 302.418 2.192 10 0 DEAERO CC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)CC[C@H]1[NH3+] ZINC000251642673 685191897 /nfs/dbraw/zinc/19/18/97/685191897.db2.gz GBAZDWKXXPFKES-ZWNOBZJWSA-N 1 0 318.389 2.247 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)C1 ZINC000252656692 685193802 /nfs/dbraw/zinc/19/38/02/685193802.db2.gz NURSRHPMLQBIPQ-MAZHCROVSA-N 1 0 315.417 2.105 10 0 DEAERO O[C@H]1CCCC[C@H]1[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000270621842 685204470 /nfs/dbraw/zinc/20/44/70/685204470.db2.gz OYNCUIKIVZZUGJ-KGLIPLIRSA-N 1 0 318.446 2.117 10 0 DEAERO C[C@H](CCn1cncn1)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000886054684 691994160 /nfs/dbraw/zinc/99/41/60/691994160.db2.gz HLJKOGRATHKCKK-DJIMGWMZSA-N 1 0 300.406 2.424 10 0 DEAERO CC(C)[C@@H](C[NH2+]Cc1cncnc1)ONC(=O)OC(C)(C)C ZINC000398770240 790291518 /nfs/dbraw/zinc/29/15/18/790291518.db2.gz CBYRQXKKOYQASO-CYBMUJFWSA-N 1 0 310.398 2.047 10 0 DEAERO CC(C)(C)OC(=O)N1CC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000723634352 777146455 /nfs/dbraw/zinc/14/64/55/777146455.db2.gz UEUZIYHCBVLMFW-BFHYXJOUSA-N 1 0 310.438 2.401 10 0 DEAERO C[C@@H]1CN(Cc2ncc(Br)s2)C[C@H]1CC[NH3+] ZINC000723895209 777202437 /nfs/dbraw/zinc/20/24/37/777202437.db2.gz TWSCEPUBQSOADM-RKDXNWHRSA-N 1 0 304.257 2.322 10 0 DEAERO COC1(CC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CCC1 ZINC000724036461 777225629 /nfs/dbraw/zinc/22/56/29/777225629.db2.gz NJKFSUNWJOIREE-SECBINFHSA-N 1 0 305.287 2.484 10 0 DEAERO C[C@@H]1CC(C[NH2+]Cc2cn(C)nc2Br)C[C@@H](C)O1 ZINC000724264454 777269303 /nfs/dbraw/zinc/26/93/03/777269303.db2.gz JSPUOIVUZNBPQE-NXEZZACHSA-N 1 0 316.243 2.476 10 0 DEAERO COC(=O)CCN1CCN(C(=O)/C(C)=C\C(C)(C)C)[C@@H](C)C1 ZINC000588499632 777304266 /nfs/dbraw/zinc/30/42/66/777304266.db2.gz RKFCFNNTIGEREN-FZDNWWAKSA-N 1 0 310.438 2.075 10 0 DEAERO FC(F)c1cc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)ncn1 ZINC000724635841 777417108 /nfs/dbraw/zinc/41/71/08/777417108.db2.gz PFDILYKSBCQZHN-ONGXEEELSA-N 1 0 300.378 2.406 10 0 DEAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724915933 777520080 /nfs/dbraw/zinc/52/00/80/777520080.db2.gz VAKPRPVOUZLEQO-XCCIUEIHSA-N 1 0 312.454 2.286 10 0 DEAERO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CN1CCOC1=S ZINC000173515654 778257039 /nfs/dbraw/zinc/25/70/39/778257039.db2.gz YHRCPNIWKZIENC-MRXNPFEDSA-N 1 0 319.474 2.015 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000722268712 778556053 /nfs/dbraw/zinc/55/60/53/778556053.db2.gz ZRMMNZSQXAABNA-KBXIAJHMSA-N 1 0 311.470 2.220 10 0 DEAERO CC[C@@H]1CCC[C@@H]([NH2+]C[C@]2(OC)CCS(=O)(=O)C2)CC1 ZINC000721252964 780555548 /nfs/dbraw/zinc/55/55/48/780555548.db2.gz BWISDRGQLNOKKW-RBSFLKMASA-N 1 0 303.468 2.139 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[NH2+]CC2(C)C)c1C ZINC000722568728 787332646 /nfs/dbraw/zinc/33/26/46/787332646.db2.gz SNXBUTANXGUOSO-UHFFFAOYSA-N 1 0 302.465 2.046 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000723785367 787345080 /nfs/dbraw/zinc/34/50/80/787345080.db2.gz KVAJTWRNZZRJSS-BDAKNGLRSA-N 1 0 323.245 2.127 10 0 DEAERO C[C@](O)(C[NH2+]CCc1ccns1)C(F)(F)C(F)(F)F ZINC000724068356 787348186 /nfs/dbraw/zinc/34/81/86/787348186.db2.gz LWOHUGWVBWEMAO-QMMMGPOBSA-N 1 0 304.284 2.224 10 0 DEAERO c1ccc(COC2CC([NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)cc1 ZINC000724643147 787352539 /nfs/dbraw/zinc/35/25/39/787352539.db2.gz MQKSVJTUDZKHCZ-UIJHXXCUSA-N 1 0 303.402 2.128 10 0 DEAERO CN(CCCCCC[NH3+])Cc1cn(C)nc1Br ZINC000712437471 792187585 /nfs/dbraw/zinc/18/75/85/792187585.db2.gz YYQCSSAZFRBDDQ-UHFFFAOYSA-N 1 0 303.248 2.134 10 0 DEAERO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1cccc(Cl)c1 ZINC000712508716 792192028 /nfs/dbraw/zinc/19/20/28/792192028.db2.gz ZZINOLNBLCEOIF-UHFFFAOYSA-N 1 0 302.827 2.103 10 0 DEAERO CN1CC[C@@H]1C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000712568414 792201329 /nfs/dbraw/zinc/20/13/29/792201329.db2.gz CXUQBMREBLCDCF-RDBSUJKOSA-N 1 0 309.454 2.116 10 0 DEAERO [NH3+]CCN(Cc1ncccc1Br)CC(F)(F)F ZINC000713364453 792232335 /nfs/dbraw/zinc/23/23/35/792232335.db2.gz UNMAQLGVYPVRBV-UHFFFAOYSA-N 1 0 312.133 2.167 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2CO[C@@H](C[NH3+])C2)cc1Br ZINC000713799299 792244818 /nfs/dbraw/zinc/24/48/18/792244818.db2.gz ZUCPGZVMMDENCH-MWLCHTKSSA-N 1 0 313.195 2.060 10 0 DEAERO CCC1([NH3+])CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000714759294 792334634 /nfs/dbraw/zinc/33/46/34/792334634.db2.gz PRQNIWWRMNDILS-UHFFFAOYSA-N 1 0 302.827 2.232 10 0 DEAERO CC(C)[C@H](C(=O)NCc1ncc(Br)s1)[C@@H](C)[NH3+] ZINC000714950527 792374762 /nfs/dbraw/zinc/37/47/62/792374762.db2.gz JULAWMCIGCKXSR-XCBNKYQSSA-N 1 0 320.256 2.141 10 0 DEAERO CC1(C)[C@H](C(F)(F)F)CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715156973 792397997 /nfs/dbraw/zinc/39/79/97/792397997.db2.gz ISFOVCORCLYPEU-RNJXMRFFSA-N 1 0 300.271 2.016 10 0 DEAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715169080 792402714 /nfs/dbraw/zinc/40/27/14/792402714.db2.gz VXUURPPQTMDCMQ-KWQFWETISA-N 1 0 306.715 2.278 10 0 DEAERO Cc1ccc(C(=O)NC23CC[NH+](CC2)C3)cc1Br ZINC000715502304 792469818 /nfs/dbraw/zinc/46/98/18/792469818.db2.gz RSYYDOTWOFUOOW-UHFFFAOYSA-N 1 0 309.207 2.336 10 0 DEAERO CS(=O)(=O)C1CC([NH2+]C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000716092434 792556254 /nfs/dbraw/zinc/55/62/54/792556254.db2.gz QIOAFSVDTURDAM-MOKVOYLWSA-N 1 0 301.452 2.034 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[C@@H]1CCCS1 ZINC000715989546 792560445 /nfs/dbraw/zinc/56/04/45/792560445.db2.gz BVISJKVZXNBBFA-CWRNSKLLSA-N 1 0 322.474 2.321 10 0 DEAERO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000716560026 792973123 /nfs/dbraw/zinc/97/31/23/792973123.db2.gz WMPZQHKSVYSYAQ-SNVBAGLBSA-N 1 0 302.827 2.006 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)sc1Cl ZINC000716550911 792973201 /nfs/dbraw/zinc/97/32/01/792973201.db2.gz BUFQWAKMSRWMTG-VIFPVBQESA-N 1 0 322.883 2.376 10 0 DEAERO O[C@H](C[NH2+]CC[C@H](O)C(F)F)c1cccc(Br)c1 ZINC000716712192 793003850 /nfs/dbraw/zinc/00/38/50/793003850.db2.gz KKNSBBWAZFFOCS-WDEREUQCSA-N 1 0 324.165 2.088 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)C(F)F)C1(C)C ZINC000716753876 793004500 /nfs/dbraw/zinc/00/45/00/793004500.db2.gz PETKSLDUXISEIN-GMTAPVOTSA-N 1 0 322.396 2.284 10 0 DEAERO C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000717546931 799424508 /nfs/dbraw/zinc/42/45/08/799424508.db2.gz JECQXUHKIJCDGD-JSGCOSHPSA-N 1 0 302.484 2.215 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2CO)CN(C(=O)OC(C)(C)C)C1 ZINC000401774114 801849500 /nfs/dbraw/zinc/84/95/00/801849500.db2.gz LIEWXITYRMXGSV-KBUPBQIOSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCc2cn[nH]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401802806 801851966 /nfs/dbraw/zinc/85/19/66/801851966.db2.gz OKFYERVQZFIYSZ-OCCSQVGLSA-N 1 0 308.426 2.187 10 0 DEAERO CCn1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nn1 ZINC000404432360 802020781 /nfs/dbraw/zinc/02/07/81/802020781.db2.gz OECXKLZYSASEBW-JSGCOSHPSA-N 1 0 323.441 2.033 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC2(CCO)CC2)C1(C)C ZINC000404906442 802035509 /nfs/dbraw/zinc/03/55/09/802035509.db2.gz RYRRTMKMUCKWPJ-QWHCGFSZSA-N 1 0 312.454 2.430 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CC2(O)CCC2)C12CCC2 ZINC000405209096 802044702 /nfs/dbraw/zinc/04/47/02/802044702.db2.gz BWQFROHYAUXUBN-OLZOCXBDSA-N 1 0 310.438 2.327 10 0 DEAERO CCNc1ncc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1Cl ZINC000050779767 1078477725 /nfs/dbraw/zinc/47/77/25/1078477725.db2.gz WTHBFUSMCXVGIA-CYBMUJFWSA-N 1 0 312.845 2.483 10 0 DEAERO c1ccc(C[NH+]2CCN(CCC[NH2+]Cc3ccncc3)CC2)cc1 ZINC000075778749 1080253495 /nfs/dbraw/zinc/25/34/95/1080253495.db2.gz DILSSXDUTZYVTK-UHFFFAOYSA-N 1 0 324.472 2.379 10 0 DEAERO c1ccc2c(c1)OC[C@H](C[NH2+]Cc1ccc3c(c1)OCCO3)O2 ZINC000078371782 1080607997 /nfs/dbraw/zinc/60/79/97/1080607997.db2.gz OMVATYQYJKQSLT-AWEZNQCLSA-N 1 0 313.353 2.387 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(Br)nc1 ZINC000720831665 1086194826 /nfs/dbraw/zinc/19/48/26/1086194826.db2.gz WMBJZICQTOLZGB-NEPJUHHUSA-N 1 0 324.222 2.153 10 0 DEAERO O=C(c1csc(Br)c1)N1CC([NH+]2CCCC2)C1 ZINC000700233638 1086313209 /nfs/dbraw/zinc/31/32/09/1086313209.db2.gz NKHFOXWZCWMWKV-UHFFFAOYSA-N 1 0 315.236 2.431 10 0 DEAERO Cc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)nc(N)[nH+]1 ZINC000702260560 1086416324 /nfs/dbraw/zinc/41/63/24/1086416324.db2.gz OLSIURMLDMDYAT-QFBILLFUSA-N 1 0 323.444 2.326 10 0 DEAERO COC(CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000702313972 1086420111 /nfs/dbraw/zinc/42/01/11/1086420111.db2.gz ALNCREJKIUGEGW-FUHWJXTLSA-N 1 0 304.434 2.059 10 0 DEAERO CO[C@](C)(CO)C[NH2+]Cc1cc(Br)c(C)s1 ZINC000702507807 1086434919 /nfs/dbraw/zinc/43/49/19/1086434919.db2.gz BLAAWIUHKOABDC-NSHDSACASA-N 1 0 308.241 2.306 10 0 DEAERO C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)N(C)C ZINC000707938973 1086675047 /nfs/dbraw/zinc/67/50/47/1086675047.db2.gz CWGHFHIXKFGTPH-QPSCCSFWSA-N 1 0 311.470 2.314 10 0 DEAERO CC1(C)CO[C@H](C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000708331585 1086677826 /nfs/dbraw/zinc/67/78/26/1086677826.db2.gz QJCHSQCUPNWXTO-HKUYNNGSSA-N 1 0 318.461 2.028 10 0 DEAERO CC1(C)C[C@H](C[NH2+][C@@H]2CCCS(=O)(=O)CC2)C(C)(C)O1 ZINC000709715648 1086681073 /nfs/dbraw/zinc/68/10/73/1086681073.db2.gz NLRHBBFNNVMXBL-CHWSQXEVSA-N 1 0 303.468 2.137 10 0 DEAERO CC1(C)C[C@@H](C[NH2+][C@H]2CCCS(=O)(=O)CC2)C(C)(C)O1 ZINC000709715651 1086682371 /nfs/dbraw/zinc/68/23/71/1086682371.db2.gz NLRHBBFNNVMXBL-STQMWFEESA-N 1 0 303.468 2.137 10 0 DEAERO CC1CCC(O)(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000710842113 1086689308 /nfs/dbraw/zinc/68/93/08/1086689308.db2.gz CQZGKAXSPUPXSW-UHFFFAOYSA-N 1 0 312.454 2.384 10 0 DEAERO CC[C@@](C)(CCO)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711490034 1087139254 /nfs/dbraw/zinc/13/92/54/1087139254.db2.gz HMEHGVOKDNSQND-ZENOOKHLSA-N 1 0 300.443 2.430 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCO[C@H]2CC2(F)F)C1 ZINC000711510696 1087145895 /nfs/dbraw/zinc/14/58/95/1087145895.db2.gz ZSYFBJIMKXNCFL-TUAOUCFPSA-N 1 0 320.380 2.304 10 0 DEAERO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccccc1Br ZINC000711655868 1087189019 /nfs/dbraw/zinc/18/90/19/1087189019.db2.gz UAVNKSPCABETSV-JSGCOSHPSA-N 1 0 309.207 2.464 10 0 DEAERO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1nccn1C1CC1 ZINC000711753147 1087195101 /nfs/dbraw/zinc/19/51/01/1087195101.db2.gz UIZREXHJTUWNLJ-LBPRGKRZSA-N 1 0 308.426 2.468 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]Cc2cnc3n2CCC3)CCN1C(=O)OC(C)(C)C ZINC000719167954 1088889864 /nfs/dbraw/zinc/88/98/64/1088889864.db2.gz NHCCBKWQQQQKBH-OCCSQVGLSA-N 1 0 320.437 2.317 10 0 DEAERO Cc1nc(C[NH2+]C[C@@H](O)C2CCC2)sc1Br ZINC000719303275 1088941218 /nfs/dbraw/zinc/94/12/18/1088941218.db2.gz AMQSIQZOPCWSLQ-SECBINFHSA-N 1 0 305.241 2.465 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCN1C ZINC000719608721 1089327366 /nfs/dbraw/zinc/32/73/66/1089327366.db2.gz HKUKWGKBOFHRSH-DDTOSNHZSA-N 1 0 313.239 2.165 10 0 DEAERO CC(C)CC[C@H]([NH3+])C(=O)NCCOC(F)(F)C(F)(F)F ZINC000720235417 1089536229 /nfs/dbraw/zinc/53/62/29/1089536229.db2.gz PCLHFNAMLZWIPG-QMMMGPOBSA-N 1 0 306.275 2.038 10 0 DEAERO Cc1cccc(N2CCN(C(=O)CC[NH+]3CCCC3)CC2)c1 ZINC000074693646 185010060 /nfs/dbraw/zinc/01/00/60/185010060.db2.gz XRFGFWITQXSRDG-UHFFFAOYSA-N 1 0 301.434 2.130 10 0 DEAERO CC(C)[C@@H](SCCS(C)(=O)=O)[C@@H]([NH3+])c1ccccc1 ZINC000081768788 192322467 /nfs/dbraw/zinc/32/24/67/192322467.db2.gz DHCAEKVXLDKFKO-UONOGXRCSA-N 1 0 301.477 2.489 10 0 DEAERO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1SCCS(C)(=O)=O ZINC000081769127 192322904 /nfs/dbraw/zinc/32/29/04/192322904.db2.gz WOBHRWITSWYJNV-HUUCEWRRSA-N 1 0 313.488 2.430 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(F)cc1F ZINC000076686557 185031340 /nfs/dbraw/zinc/03/13/40/185031340.db2.gz LWLBLTVNDZZHFU-GFCCVEGCSA-N 1 0 313.348 2.197 10 0 DEAERO Cn1nnnc1SC[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000081845363 192331598 /nfs/dbraw/zinc/33/15/98/192331598.db2.gz RJJGDXGTOTZIDE-SECBINFHSA-N 1 0 303.313 2.021 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1Sc1nnnn1C1CC1 ZINC000081867476 192333199 /nfs/dbraw/zinc/33/31/99/192333199.db2.gz LTVWNGOHKDGIMG-UONOGXRCSA-N 1 0 301.419 2.376 10 0 DEAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)Sc1n[nH]c(=O)n1C ZINC000081880481 192334352 /nfs/dbraw/zinc/33/43/52/192334352.db2.gz MZECDFNZHLATOA-AAEUAGOBSA-N 1 0 306.435 2.248 10 0 DEAERO CCCn1c(=O)[nH]nc1S[C@@H](C)[C@H]([NH2+]C)c1ccccc1 ZINC000081879314 192334665 /nfs/dbraw/zinc/33/46/65/192334665.db2.gz YIOWRYRHWVZRAE-AAEUAGOBSA-N 1 0 306.435 2.423 10 0 DEAERO COc1ccc(C(=O)Nc2c[nH]nc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000095829475 185384201 /nfs/dbraw/zinc/38/42/01/185384201.db2.gz ORFOINQODOOIKQ-GFCCVEGCSA-N 1 0 300.362 2.138 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000096666081 185385215 /nfs/dbraw/zinc/38/52/15/185385215.db2.gz AYYLCDVHJLBSKC-MRXNPFEDSA-N 1 0 316.449 2.238 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)c1ccc(OC)cc1)c1ccccc1 ZINC000081923335 192339665 /nfs/dbraw/zinc/33/96/65/192339665.db2.gz FVAIDCKWNZZVJL-INIZCTEOSA-N 1 0 305.399 2.430 10 0 DEAERO COc1ccc([C@H]([NH3+])CS(=O)(=O)Cc2ccccc2)cc1 ZINC000081923594 192340342 /nfs/dbraw/zinc/34/03/42/192340342.db2.gz SQMLOJWATCQIDC-MRXNPFEDSA-N 1 0 305.399 2.310 10 0 DEAERO C[NH+]1CCN(c2cccc(C(=O)Nc3cccc(F)c3)n2)CC1 ZINC000096780363 185387282 /nfs/dbraw/zinc/38/72/82/185387282.db2.gz YXESZDCXDSOZET-UHFFFAOYSA-N 1 0 314.364 2.225 10 0 DEAERO C[C@H]1CCN(C(=O)c2cccn2CC(F)(F)F)C[C@@H]1C[NH3+] ZINC000163516940 197636243 /nfs/dbraw/zinc/63/62/43/197636243.db2.gz KFRDQMCVFISKCS-QWRGUYRKSA-N 1 0 303.328 2.107 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000081933343 192341067 /nfs/dbraw/zinc/34/10/67/192341067.db2.gz LKDUQMUKIITORP-LBPRGKRZSA-N 1 0 318.236 2.221 10 0 DEAERO CC[NH2+][C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000081933671 192341303 /nfs/dbraw/zinc/34/13/03/192341303.db2.gz RBKRLKPZCPFYQX-VIFPVBQESA-N 1 0 306.225 2.221 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)CC[C@H](C)CC[NH3+])c1 ZINC000079190470 185161346 /nfs/dbraw/zinc/16/13/46/185161346.db2.gz OYGJHGQKOJRMSH-JTQLQIEISA-N 1 0 311.813 2.403 10 0 DEAERO CCC[C@@H](CC[NH3+])CCC(=O)N[C@H](C(=O)OC)[C@@H](C)CC ZINC000079237779 185162077 /nfs/dbraw/zinc/16/20/77/185162077.db2.gz FQHSXPBAKFPHLR-GUTXKFCHSA-N 1 0 300.443 2.236 10 0 DEAERO C[C@]1(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CCC[NH2+]1 ZINC000079518128 185173801 /nfs/dbraw/zinc/17/38/01/185173801.db2.gz PNYPDNJPDJZHRM-GOEBONIOSA-N 1 0 308.809 2.382 10 0 DEAERO C(c1noc([C@@]23CCC[C@@H]2C[N@H+](C[C@@H]2CCOC2)C3)n1)C1CC1 ZINC000364604390 404466969 /nfs/dbraw/zinc/46/69/69/404466969.db2.gz JVFQREBMVPTWFQ-HDMKZQKVSA-N 1 0 317.433 2.412 10 0 DEAERO Ic1ccc(C[NH2+]CC2CCOCC2)o1 ZINC000082544319 185190937 /nfs/dbraw/zinc/19/09/37/185190937.db2.gz WRGAJQOZHVJDFS-UHFFFAOYSA-N 1 0 321.158 2.400 10 0 DEAERO CC[C@@H](CC[NH3+])S(=O)(=O)c1ccccc1Br ZINC000082790206 185203566 /nfs/dbraw/zinc/20/35/66/185203566.db2.gz QLKZSMIPELRYMW-VIFPVBQESA-N 1 0 306.225 2.350 10 0 DEAERO CC[C@H](CC[NH3+])S(=O)(=O)c1cccc(Br)c1 ZINC000082791004 185203823 /nfs/dbraw/zinc/20/38/23/185203823.db2.gz XOYZQFGHJZVVDH-SNVBAGLBSA-N 1 0 306.225 2.350 10 0 DEAERO CC[C@]1(CO)CCCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000190286439 529420387 /nfs/dbraw/zinc/42/03/87/529420387.db2.gz IFNWKXOQZWJHCG-RDJZCZTQSA-N 1 0 313.486 2.157 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](S(=O)(=O)c2cccc(Br)c2)C1 ZINC000082820125 185208359 /nfs/dbraw/zinc/20/83/59/185208359.db2.gz LKTXRUPIHSFZCZ-MWLCHTKSSA-N 1 0 304.209 2.103 10 0 DEAERO C[C@@](O)(C[NH3+])CCCSc1ncccc1Br ZINC000082917600 185209479 /nfs/dbraw/zinc/20/94/79/185209479.db2.gz DSQKAPPEZJSGOD-NSHDSACASA-N 1 0 305.241 2.426 10 0 DEAERO O=C(C[C@H]1CCCCC(=O)N1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000328682558 231304377 /nfs/dbraw/zinc/30/43/77/231304377.db2.gz VRMDDCIQMJFURA-HUUCEWRRSA-N 1 0 307.438 2.362 10 0 DEAERO [NH3+]C[C@H](c1cccc(Br)c1)[C@H](O)[C@@H]1CCCOC1 ZINC000087379042 185223077 /nfs/dbraw/zinc/22/30/77/185223077.db2.gz FRLFHMUZZJLVIR-MRVWCRGKSA-N 1 0 314.223 2.279 10 0 DEAERO CCOCC[C@H](O)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000087378688 185223139 /nfs/dbraw/zinc/22/31/39/185223139.db2.gz FCYHWVMMKMXXNA-OLZOCXBDSA-N 1 0 302.212 2.279 10 0 DEAERO Cc1c(C)c(C)c(S(=O)(=O)N[C@@H](C[NH3+])C(C)C)c(C)c1C ZINC000087404874 185224100 /nfs/dbraw/zinc/22/41/00/185224100.db2.gz ROEVBYGSLBTFRR-HNNXBMFYSA-N 1 0 312.479 2.490 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](COc2ccc(Br)c(F)c2)O1 ZINC000087436792 185225083 /nfs/dbraw/zinc/22/50/83/185225083.db2.gz MBEDRGONEOYBLC-VHSXEESVSA-N 1 0 304.159 2.473 10 0 DEAERO CCCc1nnsc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000087455404 185225711 /nfs/dbraw/zinc/22/57/11/185225711.db2.gz VOVQDRZRUATGSQ-NWDGAFQWSA-N 1 0 308.451 2.095 10 0 DEAERO COc1ccc(Br)c(CN(C)CCC(N)=[NH2+])c1 ZINC000087789218 185232076 /nfs/dbraw/zinc/23/20/76/185232076.db2.gz UMUHATPFALEQJR-UHFFFAOYSA-N 1 0 300.200 2.216 10 0 DEAERO CC(C)[C@H](C[NH3+])C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000087524654 185227802 /nfs/dbraw/zinc/22/78/02/185227802.db2.gz AITRBDKQOYUZSX-ZFWWWQNUSA-N 1 0 310.463 2.487 10 0 DEAERO Cc1cccc(OCCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173190333 282188861 /nfs/dbraw/zinc/18/88/61/282188861.db2.gz WRQPVGRPABDGLX-CVEARBPZSA-N 1 0 319.449 2.498 10 0 DEAERO CCOC(=O)COC[C@@H]([NH3+])c1sc(C)cc1Br ZINC000087646366 185229669 /nfs/dbraw/zinc/22/96/69/185229669.db2.gz CRYADHRKMSCJOW-SECBINFHSA-N 1 0 322.224 2.399 10 0 DEAERO NC(=O)CN(Cc1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000087761761 185231482 /nfs/dbraw/zinc/23/14/82/185231482.db2.gz JVMOVZWEUNMIMM-UHFFFAOYSA-N 1 0 316.232 2.033 10 0 DEAERO [NH3+]Cc1c(F)cccc1S(=O)(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000087768788 185231584 /nfs/dbraw/zinc/23/15/84/185231584.db2.gz VUNVMOIWZDZIBJ-FZMZJTMJSA-N 1 0 312.410 2.238 10 0 DEAERO CCOCOc1c(Cl)cc(C[NH2+]CCOC)cc1OC ZINC000087888640 185234748 /nfs/dbraw/zinc/23/47/48/185234748.db2.gz XDSBSISRUXZFRS-UHFFFAOYSA-N 1 0 303.786 2.457 10 0 DEAERO NNc1cc(NCc2sccc2Br)nc[nH+]1 ZINC000087896050 185235760 /nfs/dbraw/zinc/23/57/60/185235760.db2.gz FSIUSRBWEWZPNZ-UHFFFAOYSA-N 1 0 300.185 2.198 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@]1(C[NH3+])Nc1ccccc1Cl ZINC000087915972 185237336 /nfs/dbraw/zinc/23/73/36/185237336.db2.gz DYQIUKZHOARAMY-QWHCGFSZSA-N 1 0 302.827 2.047 10 0 DEAERO NNc1nc(NCc2ccc(F)cc2)c(Br)c[nH+]1 ZINC000087904969 185237387 /nfs/dbraw/zinc/23/73/87/185237387.db2.gz VFVYJYBAZOCDDH-UHFFFAOYSA-N 1 0 312.146 2.276 10 0 DEAERO COc1ccc(Br)c(C[C@]2(C[NH3+])CCC[C@@H]2O)c1 ZINC000087931904 185237532 /nfs/dbraw/zinc/23/75/32/185237532.db2.gz VPWVJEVLTHPDBK-KBPBESRZSA-N 1 0 314.223 2.490 10 0 DEAERO COc1ccc([C@H](C[NH3+])NC[C@@H]2CCCO2)c(Cl)c1OC ZINC000087928374 185237770 /nfs/dbraw/zinc/23/77/70/185237770.db2.gz KLWSVUSCUNMGSP-JQWIXIFHSA-N 1 0 314.813 2.126 10 0 DEAERO Cc1ccc(NS(=O)(=O)[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000088056592 185238481 /nfs/dbraw/zinc/23/84/81/185238481.db2.gz FGLHQCRMHFMRNZ-JTQLQIEISA-N 1 0 308.325 2.117 10 0 DEAERO COc1ccc(C[S@](=O)C[C@@H](C)[NH3+])cc1Br ZINC000088069717 185238735 /nfs/dbraw/zinc/23/87/35/185238735.db2.gz URKQSTQJHXDJER-BCTVWOGZSA-N 1 0 306.225 2.054 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Br)c(F)c1 ZINC000088084041 185239113 /nfs/dbraw/zinc/23/91/13/185239113.db2.gz OECBOYVPKHDXDV-CBAPKCEASA-N 1 0 301.159 2.382 10 0 DEAERO Cn1nccc1Cn1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837584 185233126 /nfs/dbraw/zinc/23/31/26/185233126.db2.gz WSAZJPCMJAPRMA-UHFFFAOYSA-N 1 0 306.167 2.163 10 0 DEAERO CC[NH2+][C@H](Cc1cc(Br)cs1)[C@@H]1COCCO1 ZINC000087858215 185233816 /nfs/dbraw/zinc/23/38/16/185233816.db2.gz QWCWJJHTLWDCAG-NEPJUHHUSA-N 1 0 320.252 2.447 10 0 DEAERO C[C@@H]1[C@@H](C)CCCN1c1nc(NN)[nH+]cc1Br ZINC000087869086 185234020 /nfs/dbraw/zinc/23/40/20/185234020.db2.gz CLISIMZODVYLMD-JGVFFNPUSA-N 1 0 300.204 2.150 10 0 DEAERO O=[S@@](Cc1cc(F)cc(Br)c1)CC1C[NH2+]C1 ZINC000088090501 185239651 /nfs/dbraw/zinc/23/96/51/185239651.db2.gz MFJMKHKHDVWGDB-MRXNPFEDSA-N 1 0 306.200 2.056 10 0 DEAERO CCS(=O)(=O)CCCOc1cccc2c1CCC[C@H]2[NH2+]C ZINC000088151574 185240558 /nfs/dbraw/zinc/24/05/58/185240558.db2.gz QBXAPAPNFHLNSU-OAHLLOKOSA-N 1 0 311.447 2.487 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCCOc3ccccc32)C1 ZINC000170836041 282198194 /nfs/dbraw/zinc/19/81/94/282198194.db2.gz MIRNVLIHXIOIRF-HIFRSBDPSA-N 1 0 303.406 2.246 10 0 DEAERO CCn1ccnc1CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190471070 529569808 /nfs/dbraw/zinc/56/98/08/529569808.db2.gz OCENMCMEKXKHBP-KRWDZBQOSA-N 1 0 313.449 2.252 10 0 DEAERO C[C@@H](C[NH3+])S(=O)(=O)NC(c1ccccc1)c1ccccc1 ZINC000088472428 185252380 /nfs/dbraw/zinc/25/23/80/185252380.db2.gz HEQGFRLPRZRJQZ-ZDUSSCGKSA-N 1 0 304.415 2.043 10 0 DEAERO O=S(=O)(C1CCCCC1)N1CC[NH2+]CC12CCCCC2 ZINC000088396218 185248431 /nfs/dbraw/zinc/24/84/31/185248431.db2.gz HXVXTVCAFVRKDV-UHFFFAOYSA-N 1 0 300.468 2.257 10 0 DEAERO Nc1ccc(SC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)c(F)c1 ZINC000088398462 185248435 /nfs/dbraw/zinc/24/84/35/185248435.db2.gz YOFYRLABYJYNPL-LSDHHAIUSA-N 1 0 306.406 2.431 10 0 DEAERO CS(=O)(=O)c1ccccc1N1CC[NH2+]CC12CCCCC2 ZINC000088396665 185248532 /nfs/dbraw/zinc/24/85/32/185248532.db2.gz GQMRVZNTQVAUSW-UHFFFAOYSA-N 1 0 308.447 2.203 10 0 DEAERO Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)c(C(N)=[NH2+])c1C ZINC000088421388 185249405 /nfs/dbraw/zinc/24/94/05/185249405.db2.gz UVLRAFQDNXFLPF-VIFPVBQESA-N 1 0 301.316 2.156 10 0 DEAERO COC(=O)[C@](C)(C[C@@H](C)[N@H+](C)CCC(F)(F)F)NC1CC1 ZINC000088434853 185250126 /nfs/dbraw/zinc/25/01/26/185250126.db2.gz QYYLYAZCGLPKTD-MFKMUULPSA-N 1 0 310.360 2.333 10 0 DEAERO NC(=O)C1([NH2+]Cc2cc(Cl)cc3c2OCOC3)CCCCC1 ZINC000088545369 185257002 /nfs/dbraw/zinc/25/70/02/185257002.db2.gz ULCGOHQHLCYSTK-UHFFFAOYSA-N 1 0 324.808 2.484 10 0 DEAERO CN(C)S(=O)(=O)c1ccc(C[NH2+]C2(C)CCCCC2)o1 ZINC000088540577 185255622 /nfs/dbraw/zinc/25/56/22/185255622.db2.gz DTGJPQLOSRLMGC-UHFFFAOYSA-N 1 0 300.424 2.342 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)o1 ZINC000088543357 185256031 /nfs/dbraw/zinc/25/60/31/185256031.db2.gz GTFUJITYHFABLH-STQMWFEESA-N 1 0 314.451 2.444 10 0 DEAERO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)CCCOC ZINC000081985399 192348912 /nfs/dbraw/zinc/34/89/12/192348912.db2.gz HTOVQRYAHNLWFC-HZPDHXFCSA-N 1 0 311.447 2.103 10 0 DEAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1S(=O)(=O)CCCOC ZINC000081986408 192349066 /nfs/dbraw/zinc/34/90/66/192349066.db2.gz AUPXOGLPCURXGY-ZNMIVQPWSA-N 1 0 305.484 2.241 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)CCC(C)C)o1 ZINC000088551094 185257627 /nfs/dbraw/zinc/25/76/27/185257627.db2.gz UUUHIGUPMRKYRP-LBPRGKRZSA-N 1 0 302.440 2.492 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC2CCC(C)(C)CC2)o1 ZINC000088551303 185257688 /nfs/dbraw/zinc/25/76/88/185257688.db2.gz DVQSFIXNHMNXNM-UHFFFAOYSA-N 1 0 300.424 2.246 10 0 DEAERO C[NH2+]C[C@H](Cc1ncnn1C)Cc1cccc(Br)c1 ZINC000088583114 185258407 /nfs/dbraw/zinc/25/84/07/185258407.db2.gz HYKGRIUZSHKXCW-LBPRGKRZSA-N 1 0 323.238 2.198 10 0 DEAERO CCn1nccc1C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000179007762 282210181 /nfs/dbraw/zinc/21/01/81/282210181.db2.gz ISMLGPYJPOTXTB-UHFFFAOYSA-N 1 0 312.417 2.297 10 0 DEAERO CCC[C@H]1CC[C@H]([NH2+]CC)[C@H](S(=O)(=O)CCCOC)C1 ZINC000081985371 192349280 /nfs/dbraw/zinc/34/92/80/192349280.db2.gz HQMNIYSITPOTQM-SOUVJXGZSA-N 1 0 305.484 2.385 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)C(C)C)c1ccc2c(c1)OCO2 ZINC000081981396 192349702 /nfs/dbraw/zinc/34/97/02/192349702.db2.gz UDFFDODGVKTJMH-ZDUSSCGKSA-N 1 0 313.419 2.279 10 0 DEAERO CC[NH2+][C@@H](C[S@@](=O)CCCOC)c1cc(C)ccc1OC ZINC000081998318 192352043 /nfs/dbraw/zinc/35/20/43/192352043.db2.gz XVQWVPBZOYTMTL-YCRPNKLZSA-N 1 0 313.463 2.439 10 0 DEAERO C[C@@](O)(CO)C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000090286696 185289721 /nfs/dbraw/zinc/28/97/21/185289721.db2.gz DNVAHMPAPQEZGE-UBHUBRDASA-N 1 0 314.223 2.028 10 0 DEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)Cc1cccc(Br)c1 ZINC000090324506 185291048 /nfs/dbraw/zinc/29/10/48/185291048.db2.gz FUXQUQKLLUWGKK-QKCSRTOESA-N 1 0 323.234 2.058 10 0 DEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cccc(Br)c1 ZINC000090325216 185291091 /nfs/dbraw/zinc/29/10/91/185291091.db2.gz FTUIFBDOBYUEIN-IRUJWGPZSA-N 1 0 309.207 2.129 10 0 DEAERO COc1cc(Cl)ccc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1(C)C ZINC000090336099 185291626 /nfs/dbraw/zinc/29/16/26/185291626.db2.gz VNIUAXXUNCBHPB-ZWNOBZJWSA-N 1 0 308.809 2.419 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000090423583 185295452 /nfs/dbraw/zinc/29/54/52/185295452.db2.gz YPNHTPBCOZIYFH-ONGXEEELSA-N 1 0 324.178 2.201 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000090423223 185295454 /nfs/dbraw/zinc/29/54/54/185295454.db2.gz DVNRYDISQNTSBQ-WDEREUQCSA-N 1 0 324.178 2.201 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1CN(C)Cc1ccc(Br)cc1 ZINC000090438772 185296666 /nfs/dbraw/zinc/29/66/66/185296666.db2.gz DIENTRPRFSQUPT-OCCSQVGLSA-N 1 0 313.239 2.115 10 0 DEAERO CSc1nc2ccc(NC(=O)[C@]3(C)COC[C@H]3[NH3+])cc2s1 ZINC000090586072 185305028 /nfs/dbraw/zinc/30/50/28/185305028.db2.gz ADNVPOAWGCJTJV-BXUZGUMPSA-N 1 0 323.443 2.321 10 0 DEAERO CCCOc1ccc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])cc1Cl ZINC000090590090 185305385 /nfs/dbraw/zinc/30/53/85/185305385.db2.gz GZGIEFHJYZSYQN-HIFRSBDPSA-N 1 0 312.797 2.431 10 0 DEAERO CN(Cc1csc(Br)c1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606848 185306266 /nfs/dbraw/zinc/30/62/66/185306266.db2.gz PUWPPMCCVUAZQS-CMPLNLGQSA-N 1 0 319.268 2.306 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(Cl)ccc1OC ZINC000090538713 185301619 /nfs/dbraw/zinc/30/16/19/185301619.db2.gz CONHLKPMTCAGLX-DGCLKSJQSA-N 1 0 312.797 2.302 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(F)cc1Cl ZINC000090539700 185301717 /nfs/dbraw/zinc/30/17/17/185301717.db2.gz DHPCGWRSMUFTPK-ZWNOBZJWSA-N 1 0 300.761 2.432 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCC(C(=O)OC)CC1 ZINC000179502510 282227463 /nfs/dbraw/zinc/22/74/63/282227463.db2.gz KCNWJRDAOXJHPI-UYSNPLJNSA-N 1 0 324.465 2.347 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)C2CCC(C(=O)OC)CC2)CC1 ZINC000179498771 282227530 /nfs/dbraw/zinc/22/75/30/282227530.db2.gz GTNVNJRFKXOPTA-UHFFFAOYSA-N 1 0 324.465 2.347 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000092400481 185315818 /nfs/dbraw/zinc/31/58/18/185315818.db2.gz GADQDJAYDGDEIV-STQMWFEESA-N 1 0 314.223 2.359 10 0 DEAERO COCC[NH2+]CC(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000092495747 185322244 /nfs/dbraw/zinc/32/22/44/185322244.db2.gz QNFSSBXTISZNKR-UHFFFAOYSA-N 1 0 314.788 2.206 10 0 DEAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000092510155 185323482 /nfs/dbraw/zinc/32/34/82/185323482.db2.gz SGRFHXBSSZWMSL-KRWDZBQOSA-N 1 0 317.433 2.478 10 0 DEAERO [NH3+]C1CCN(CC(=O)Nc2c3ncsc3ccc2Cl)CC1 ZINC000092713784 185335697 /nfs/dbraw/zinc/33/56/97/185335697.db2.gz YXMLKYROMAHCTB-UHFFFAOYSA-N 1 0 324.837 2.311 10 0 DEAERO Cc1nn(C)c(C)c1CN1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000184668425 282260159 /nfs/dbraw/zinc/26/01/59/282260159.db2.gz KLWFDCRNLZUQNQ-INIZCTEOSA-N 1 0 320.481 2.112 10 0 DEAERO COc1ccc2c(c1)-c1nc(CN3CC[NH2+]CC3)sc1C2 ZINC000092841280 185345573 /nfs/dbraw/zinc/34/55/73/185345573.db2.gz RSWUZKLMJFUEBJ-UHFFFAOYSA-N 1 0 301.415 2.128 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](Sc1nc(C)cc(=O)[nH]1)C2 ZINC000092860555 185347157 /nfs/dbraw/zinc/34/71/57/185347157.db2.gz VHLXWLVACGCFJW-OCCSQVGLSA-N 1 0 303.387 2.216 10 0 DEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1Sc1n[nH]c(C)n1 ZINC000092860891 185347163 /nfs/dbraw/zinc/34/71/63/185347163.db2.gz HGJVWPWEBTVMEO-ZIAGYGMSSA-N 1 0 304.419 2.489 10 0 DEAERO CCCn1cc(C[NH2+][C@H]2C[C@H](OCC)C23CCOCC3)cn1 ZINC000185669217 282264793 /nfs/dbraw/zinc/26/47/93/282264793.db2.gz NJMHMZRKDXSNEY-HOTGVXAUSA-N 1 0 307.438 2.357 10 0 DEAERO COc1ncc(C)cc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000092927581 185349655 /nfs/dbraw/zinc/34/96/55/185349655.db2.gz KOAIZUQBCJYWPO-STQMWFEESA-N 1 0 304.394 2.099 10 0 DEAERO COCCc1nc(C)c([C@H](C)[NH2+]CCn2cc(C)cn2)s1 ZINC000181436991 199296989 /nfs/dbraw/zinc/29/69/89/199296989.db2.gz WKNBIYNACKQYSF-LBPRGKRZSA-N 1 0 308.451 2.496 10 0 DEAERO [NH3+]CCOc1ccc(NC(=O)CSCc2cscn2)cc1 ZINC000181422654 199295061 /nfs/dbraw/zinc/29/50/61/199295061.db2.gz UMGMTOLSJDQOGA-UHFFFAOYSA-N 1 0 323.443 2.353 10 0 DEAERO CC1(NS(=O)(=O)c2ccc(CC[NH2+]C3CC3)cc2)CCC1 ZINC000168583922 197725753 /nfs/dbraw/zinc/72/57/53/197725753.db2.gz NBZZWKJKOHSNCX-UHFFFAOYSA-N 1 0 308.447 2.202 10 0 DEAERO CCc1nn(C)c(CC)c1C[NH2+][C@H](COC)C1CCOCC1 ZINC000188273625 529766835 /nfs/dbraw/zinc/76/68/35/529766835.db2.gz VPIJXGTWKMQBTJ-MRXNPFEDSA-N 1 0 309.454 2.076 10 0 DEAERO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333575867 282960824 /nfs/dbraw/zinc/96/08/24/282960824.db2.gz MZLUIEXSDGBYRY-XJKSGUPXSA-N 1 0 315.417 2.294 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c(F)ccc(OC)c1OC ZINC000188537936 282304494 /nfs/dbraw/zinc/30/44/94/282304494.db2.gz VSXFJWAEBIGEMU-GFCCVEGCSA-N 1 0 324.396 2.399 10 0 DEAERO CC[NH2+][C@H](C[C@H]1CCS(=O)(=O)C1)c1cc(C)ccc1OC ZINC000097127618 185413488 /nfs/dbraw/zinc/41/34/88/185413488.db2.gz WHXMTGZIZZHGDY-UKRRQHHQSA-N 1 0 311.447 2.479 10 0 DEAERO CN(C)C(=O)c1cc(NC(=O)[C@]2(C)CCC[NH2+]2)ccc1Cl ZINC000079514606 539372752 /nfs/dbraw/zinc/37/27/52/539372752.db2.gz RHRGUBIOVFHHDB-HNNXBMFYSA-N 1 0 309.797 2.122 10 0 DEAERO CN(C)c1ccncc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000183690699 282306615 /nfs/dbraw/zinc/30/66/15/282306615.db2.gz MOULBUXCJXIZCN-OAHLLOKOSA-N 1 0 316.449 2.238 10 0 DEAERO O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CCC([NH2+]CC2CC2)CC1 ZINC000333577392 282961839 /nfs/dbraw/zinc/96/18/39/282961839.db2.gz NEAXVDCNAPTZKT-ZACQAIPSSA-N 1 0 321.465 2.118 10 0 DEAERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000188205589 529931090 /nfs/dbraw/zinc/93/10/90/529931090.db2.gz CQHVLDJRUGFHHG-HUUCEWRRSA-N 1 0 311.470 2.460 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)NCc1nccn1CC(C)C ZINC000189759819 282317092 /nfs/dbraw/zinc/31/70/92/282317092.db2.gz CSJHXVOMMJXNOX-UHFFFAOYSA-N 1 0 309.458 2.022 10 0 DEAERO CCCOc1c(OC)cc([C@H]2NN=C3CC[NH2+]C[C@H]32)cc1OC ZINC000169964372 197762461 /nfs/dbraw/zinc/76/24/61/197762461.db2.gz KQNGEKJJHJBOCX-MLGOLLRUSA-N 1 0 319.405 2.102 10 0 DEAERO C[C@H](C[NH3+])[C@@H](O)c1cc(Br)c(Br)o1 ZINC000085914301 539402101 /nfs/dbraw/zinc/40/21/01/539402101.db2.gz XTNQGJKLLPORHQ-CLZZGJSISA-N 1 0 312.989 2.433 10 0 DEAERO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCOC(F)F ZINC000194039600 282361440 /nfs/dbraw/zinc/36/14/40/282361440.db2.gz QGTFBZGGBGBSOW-MRVPVSSYSA-N 1 0 312.158 2.253 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(Br)cc1 ZINC000089449856 539411269 /nfs/dbraw/zinc/41/12/69/539411269.db2.gz VGGKNDVOXMHVQE-WCQYABFASA-N 1 0 311.223 2.440 10 0 DEAERO CN(Cc1cc(Br)cs1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089744799 539412955 /nfs/dbraw/zinc/41/29/55/539412955.db2.gz FRSFEHOYYOMFIE-SECBINFHSA-N 1 0 317.252 2.469 10 0 DEAERO O=C(CCOC[C@H]1CCCO1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107531031 185483409 /nfs/dbraw/zinc/48/34/09/185483409.db2.gz HJSGILYZLHHBNH-DLBZAZTESA-N 1 0 324.465 2.049 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)COC1(C)C[NH2+]C1 ZINC000098060520 539435819 /nfs/dbraw/zinc/43/58/19/539435819.db2.gz OOIJIWUFNXOPHP-UHFFFAOYSA-N 1 0 302.827 2.129 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCC2CCCCC2)[C@@H](C)C1 ZINC000245414257 282386133 /nfs/dbraw/zinc/38/61/33/282386133.db2.gz CDDIHJYJEQKMLG-DOTOQJQBSA-N 1 0 309.498 2.345 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000245424771 282387130 /nfs/dbraw/zinc/38/71/30/282387130.db2.gz CYJGISHQSIBFRU-KBPBESRZSA-N 1 0 317.433 2.094 10 0 DEAERO CC(C)(C)OC(=O)NCC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000083454473 192370502 /nfs/dbraw/zinc/37/05/02/192370502.db2.gz LKGWZAHSCLOVFT-UHFFFAOYSA-N 1 0 317.389 2.142 10 0 DEAERO CN1C(=O)C[C@H]([NH2+]Cc2cncnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000125224956 539471970 /nfs/dbraw/zinc/47/19/70/539471970.db2.gz WRMKKOJMVFVDEL-HOCLYGCPSA-N 1 0 316.792 2.192 10 0 DEAERO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000245859131 282408176 /nfs/dbraw/zinc/40/81/76/282408176.db2.gz CZTNTSHAMSRUIV-SRVKXCTJSA-N 1 0 312.360 2.283 10 0 DEAERO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000245914353 282411260 /nfs/dbraw/zinc/41/12/60/282411260.db2.gz NNZPJSUUEAGHBR-KKUMJFAQSA-N 1 0 323.481 2.013 10 0 DEAERO COc1cc(C)ccc1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244728 185563043 /nfs/dbraw/zinc/56/30/43/185563043.db2.gz CYUINCCVRNERCA-ZDUSSCGKSA-N 1 0 302.296 2.484 10 0 DEAERO O=C(N(Cc1ccco1)C1CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244873 185563360 /nfs/dbraw/zinc/56/33/60/185563360.db2.gz LTQBUGCKCNCBKW-CYBMUJFWSA-N 1 0 302.296 2.313 10 0 DEAERO CCc1c(C(=O)N2CCC([NH+](C)C)CC2)cnn1CC(C)C ZINC000132738342 539504348 /nfs/dbraw/zinc/50/43/48/539504348.db2.gz NHTVSCHQIYKJIJ-UHFFFAOYSA-N 1 0 306.454 2.268 10 0 DEAERO CC[C@H]([NH3+])Cc1c(N(C)C2CCOCC2)nc2sccn12 ZINC000111494650 185609142 /nfs/dbraw/zinc/60/91/42/185609142.db2.gz FDURQOURLAUUJN-NSHDSACASA-N 1 0 308.451 2.291 10 0 DEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000136343018 539517584 /nfs/dbraw/zinc/51/75/84/539517584.db2.gz IUNWKSWACCRLNG-ZDUSSCGKSA-N 1 0 311.813 2.354 10 0 DEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000136309755 539517156 /nfs/dbraw/zinc/51/71/56/539517156.db2.gz OPMGOGAVZBZKKI-HNNXBMFYSA-N 1 0 309.841 2.362 10 0 DEAERO Brc1cccnc1NCCOC1CC[NH2+]CC1 ZINC000111755851 185633719 /nfs/dbraw/zinc/63/37/19/185633719.db2.gz NSXBITZGUJWBTQ-UHFFFAOYSA-N 1 0 300.200 2.025 10 0 DEAERO NC(=O)NC(=O)C[NH2+][C@@H](CC1CCCCC1)c1ccccc1 ZINC000181829115 199358593 /nfs/dbraw/zinc/35/85/93/199358593.db2.gz IQRAICQBYLVXSI-HNNXBMFYSA-N 1 0 303.406 2.483 10 0 DEAERO [NH3+]C[C@H](NC(=O)N1CCO[C@@H](C2CCCCC2)C1)C1CCCC1 ZINC000333810425 282969373 /nfs/dbraw/zinc/96/93/73/282969373.db2.gz JEMDIZWNWQCQCW-DLBZAZTESA-N 1 0 323.481 2.495 10 0 DEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cnn2ccc(C)nc12 ZINC000068757412 190781678 /nfs/dbraw/zinc/78/16/78/190781678.db2.gz NLBSRVZAJPJSTL-CYBMUJFWSA-N 1 0 317.437 2.278 10 0 DEAERO CNC(=O)CCCOc1ccc(C[NH2+]C)cc1Br ZINC000068816737 190784067 /nfs/dbraw/zinc/78/40/67/190784067.db2.gz XTVGUFZQAWDEPS-UHFFFAOYSA-N 1 0 315.211 2.074 10 0 DEAERO C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279670533 215047921 /nfs/dbraw/zinc/04/79/21/215047921.db2.gz FOXIIFMFQKJDOT-JSGCOSHPSA-N 1 0 308.426 2.155 10 0 DEAERO Cc1n[nH]cc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279682842 215058916 /nfs/dbraw/zinc/05/89/16/215058916.db2.gz HJZCRAXJZQDQQT-AAEUAGOBSA-N 1 0 308.426 2.453 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000121200299 185763460 /nfs/dbraw/zinc/76/34/60/185763460.db2.gz RUHMRZNXZPKUGD-XJKSGUPXSA-N 1 0 323.437 2.401 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](O)c1cccc(C)c1 ZINC000121356832 185786724 /nfs/dbraw/zinc/78/67/24/185786724.db2.gz ONIRDOLIPWKKMJ-GDBMZVCRSA-N 1 0 307.438 2.058 10 0 DEAERO COc1cccc(C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C2CC2)c1 ZINC000121404691 185794835 /nfs/dbraw/zinc/79/48/35/185794835.db2.gz AWVNZZMFKNEJJM-NVXWUHKLSA-N 1 0 302.418 2.227 10 0 DEAERO OC1(C[NH2+]Cc2ccc(I)o2)CCCC1 ZINC000083464199 192371023 /nfs/dbraw/zinc/37/10/23/192371023.db2.gz BBYHDYYHPDKUMA-UHFFFAOYSA-N 1 0 321.158 2.279 10 0 DEAERO CCN(C(C)=O)c1nc(CN2[C@H](C)CCC[C@@H]2C[NH3+])cs1 ZINC000070156927 190864016 /nfs/dbraw/zinc/86/40/16/190864016.db2.gz YLJFTXHANRUYMB-BXUZGUMPSA-N 1 0 310.467 2.218 10 0 DEAERO COc1cc(N)ccc1NC(=O)CC[N@@H+]1CCSC[C@H]1C ZINC000070219022 190872663 /nfs/dbraw/zinc/87/26/63/190872663.db2.gz KXJCWYCSOGWSHA-LLVKDONJSA-N 1 0 309.435 2.043 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)C(C)(C)C ZINC000173392860 539618962 /nfs/dbraw/zinc/61/89/62/539618962.db2.gz DNXRSTXYLHGEEJ-CQSZACIVSA-N 1 0 321.440 2.499 10 0 DEAERO CC[NH2+][C@H](C)[C@@H](O)c1cc(OC)c(OC)cc1Br ZINC000070398871 190887051 /nfs/dbraw/zinc/88/70/51/190887051.db2.gz GUDYPDFRYNONBE-AMIZOPFISA-N 1 0 318.211 2.498 10 0 DEAERO [NH3+]C1(C(=O)N2CCC[C@H](C(F)(F)F)C2)Cc2ccccc2C1 ZINC000178330549 539636158 /nfs/dbraw/zinc/63/61/58/539636158.db2.gz JOLFIKCBMXYLNW-ZDUSSCGKSA-N 1 0 312.335 2.284 10 0 DEAERO CC[C@H]1CN(c2ncnc3c(C)cccc32)CC[N@@H+]1C[C@@H](C)O ZINC000177929647 539633227 /nfs/dbraw/zinc/63/32/27/539633227.db2.gz BPRIPESMJMOFLS-CABCVRRESA-N 1 0 314.433 2.220 10 0 DEAERO C[C@H](OCC1CC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180117192 539643860 /nfs/dbraw/zinc/64/38/60/539643860.db2.gz YYOXJJPNVVUKSO-RRQGHBQHSA-N 1 0 302.418 2.363 10 0 DEAERO O=C(NCc1ccccc1)C1CC[NH+](Cc2cncnc2)CC1 ZINC000179748095 539642179 /nfs/dbraw/zinc/64/21/79/539642179.db2.gz UXWVGVVDWNZZOC-UHFFFAOYSA-N 1 0 310.401 2.005 10 0 DEAERO CC[C@@H](C)Oc1cc(C(=O)N2CCC([NH+](C)C)CC2)ccn1 ZINC000180358058 539645089 /nfs/dbraw/zinc/64/50/89/539645089.db2.gz YUHZHALLSNFGDS-CYBMUJFWSA-N 1 0 305.422 2.425 10 0 DEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000180509804 539645529 /nfs/dbraw/zinc/64/55/29/539645529.db2.gz DCDKUAMMJPMEHN-LRDDRELGSA-N 1 0 300.406 2.068 10 0 DEAERO [NH3+][C@H]1CCN(c2cc(-c3cccnc3)nc(-c3ccncc3)n2)C1 ZINC000070455869 190895758 /nfs/dbraw/zinc/89/57/58/190895758.db2.gz QMPZTKBYUUERJJ-HNNXBMFYSA-N 1 0 318.384 2.138 10 0 DEAERO CN(Cc1cc(Br)cs1)[C@]1(C[NH3+])CCOC1 ZINC000070970672 190927356 /nfs/dbraw/zinc/92/73/56/190927356.db2.gz RPFMYMNWXNXEPZ-NSHDSACASA-N 1 0 305.241 2.060 10 0 DEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1ccc(F)cc1Br ZINC000071038904 190931743 /nfs/dbraw/zinc/93/17/43/190931743.db2.gz TVVOTLUOUINTHE-NSHDSACASA-N 1 0 313.170 2.446 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]c4ccc(F)cc34)C[C@@H]12 ZINC000186944499 539677188 /nfs/dbraw/zinc/67/71/88/539677188.db2.gz PTGSVFLCGBSUPJ-VCTAVGKDSA-N 1 0 301.365 2.045 10 0 DEAERO C[C@H]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000187853439 539679910 /nfs/dbraw/zinc/67/99/10/539679910.db2.gz KJDCQUJEFKFNPU-JKSUJKDBSA-N 1 0 311.470 2.367 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2ncc(Br)s2)CC1 ZINC000189073741 539686905 /nfs/dbraw/zinc/68/69/05/539686905.db2.gz ZMTGTIATCUIQBX-UHFFFAOYSA-N 1 0 318.240 2.072 10 0 DEAERO CCC[NH2+]CCN(C)c1nccn2nc(C(F)(F)F)cc12 ZINC000130179884 185944208 /nfs/dbraw/zinc/94/42/08/185944208.db2.gz VMXBDHOKZZEWCY-UHFFFAOYSA-N 1 0 301.316 2.184 10 0 DEAERO CC[C@@H](C)[NH+]1CCN(Cc2ccc(F)cc2C(N)=S)CC1 ZINC000071266245 190949290 /nfs/dbraw/zinc/94/92/90/190949290.db2.gz NGFLSHAZZKWNCD-GFCCVEGCSA-N 1 0 309.454 2.376 10 0 DEAERO [NH3+][C@H](Cc1ccc(I)cc1)[C@H]1CCCO1 ZINC000083850941 192386713 /nfs/dbraw/zinc/38/67/13/192386713.db2.gz OSQPIVYVXADMAI-VXGBXAGGSA-N 1 0 317.170 2.340 10 0 DEAERO [NH3+][C@@H](C[S@@](=O)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000084001287 192395571 /nfs/dbraw/zinc/39/55/71/192395571.db2.gz BRLNHKWOLWZPJZ-QKVFXAPYSA-N 1 0 307.346 2.362 10 0 DEAERO CC1CCC(O)(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CC1 ZINC000130413616 185965248 /nfs/dbraw/zinc/96/52/48/185965248.db2.gz BHXRPSXBPRWTPD-CSLYMUCUSA-N 1 0 318.465 2.345 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1S(=O)(=O)c1ccccc1Br ZINC000084269644 192418714 /nfs/dbraw/zinc/41/87/14/192418714.db2.gz BEKPJGQNNGKSPA-GXSJLCMTSA-N 1 0 318.236 2.350 10 0 DEAERO CC(C)Oc1ccc2c(c1)nc([C@@H]1CCC[NH2+]C1)n2CCO ZINC000071675375 191005170 /nfs/dbraw/zinc/00/51/70/191005170.db2.gz QKAJEZBYEZZHHB-CYBMUJFWSA-N 1 0 303.406 2.283 10 0 DEAERO CC(C)(C)c1ccc2c(c1)[C@H](C[NH3+])N(CCN1CCOCC1)C2 ZINC000071683788 191007460 /nfs/dbraw/zinc/00/74/60/191007460.db2.gz ZJQJASSLAOUWFV-SFHVURJKSA-N 1 0 317.477 2.132 10 0 DEAERO COc1ccc(Cl)c2c1CN(C1CCC(O)CC1)[C@@H]2C[NH3+] ZINC000071684020 191008246 /nfs/dbraw/zinc/00/82/46/191008246.db2.gz RLBOEZCIIQSDOY-QIMFLAQGSA-N 1 0 310.825 2.468 10 0 DEAERO Cn1ccnc1CN1Cc2ccc(C(F)(F)F)cc2[C@H]1C[NH3+] ZINC000071684069 191008860 /nfs/dbraw/zinc/00/88/60/191008860.db2.gz WJZAVCDGMSAPKL-CYBMUJFWSA-N 1 0 310.323 2.455 10 0 DEAERO [NH3+]Cc1ccc(C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1 ZINC000071699736 191009251 /nfs/dbraw/zinc/00/92/51/191009251.db2.gz DOALHKXRAQZJQX-LLVKDONJSA-N 1 0 304.375 2.101 10 0 DEAERO Nc1ncccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000071700380 191010319 /nfs/dbraw/zinc/01/03/19/191010319.db2.gz LLQUXNOBXXOGGU-UHFFFAOYSA-N 1 0 310.401 2.058 10 0 DEAERO O=S(=O)(c1ccccc1N[C@H]1CCC[NH2+]CC1)C(F)F ZINC000133695090 186007469 /nfs/dbraw/zinc/00/74/69/186007469.db2.gz OSSSNBQDRVVNHP-JTQLQIEISA-N 1 0 304.362 2.237 10 0 DEAERO CC[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCCO1 ZINC000245875003 539759034 /nfs/dbraw/zinc/75/90/34/539759034.db2.gz GVNPXHDHOQSNQP-YESZJQIVSA-N 1 0 304.434 2.233 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)CCC)c1 ZINC000138454371 186017029 /nfs/dbraw/zinc/01/70/29/186017029.db2.gz DJDXLZJSQNPZKH-UHFFFAOYSA-N 1 0 320.405 2.495 10 0 DEAERO C[C@@H]1CCCN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)CC1 ZINC000139068295 186019728 /nfs/dbraw/zinc/01/97/28/186019728.db2.gz FSGIPWRJYYCHAY-SNVBAGLBSA-N 1 0 318.389 2.234 10 0 DEAERO C[C@@]1(c2nc(-c3ccc(Br)cn3)no2)CCC[NH2+]1 ZINC000139790852 186024153 /nfs/dbraw/zinc/02/41/53/186024153.db2.gz LTDQYNQBQGNSQR-LBPRGKRZSA-N 1 0 309.167 2.493 10 0 DEAERO C[NH+](C)CCCN1C(=O)C2(CCCC2)N[C@@H]1c1ccsc1 ZINC000140457758 186026735 /nfs/dbraw/zinc/02/67/35/186026735.db2.gz VQWBIXHJVPYUCL-AWEZNQCLSA-N 1 0 307.463 2.443 10 0 DEAERO CC[NH2+][C@H](Cc1cnn(C)c1)c1ncccc1Br ZINC000140481268 186026807 /nfs/dbraw/zinc/02/68/07/186026807.db2.gz BHOWZTFQQGABTE-GFCCVEGCSA-N 1 0 309.211 2.471 10 0 DEAERO CC(C)[C@H]1N[C@H](c2cccs2)N(C2CC[NH+](C)CC2)C1=O ZINC000141216422 186029487 /nfs/dbraw/zinc/02/94/87/186029487.db2.gz MVJSHPJQUVDKGF-CABCVRRESA-N 1 0 307.463 2.297 10 0 DEAERO CCC[NH2+]Cc1cc(S(=O)(=O)NCC(F)F)c(C)cc1C ZINC000148171242 186042917 /nfs/dbraw/zinc/04/29/17/186042917.db2.gz GXTOSQRDSVLZRL-UHFFFAOYSA-N 1 0 320.405 2.346 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Br)c1 ZINC000148105947 186043065 /nfs/dbraw/zinc/04/30/65/186043065.db2.gz VVXADSAJANAAQF-GIPNMCIBSA-N 1 0 311.223 2.482 10 0 DEAERO CCNc1ncc(Br)c(OC2CC[NH+](C)CC2)n1 ZINC000148113289 186043223 /nfs/dbraw/zinc/04/32/23/186043223.db2.gz ZTYVDTXOSFBLQJ-UHFFFAOYSA-N 1 0 315.215 2.144 10 0 DEAERO CCC[NH2+]Cc1cc(S(=O)(=O)NCC(F)F)ccc1CC ZINC000148184146 186043950 /nfs/dbraw/zinc/04/39/50/186043950.db2.gz PEJVFKFEMHBMFU-UHFFFAOYSA-N 1 0 320.405 2.292 10 0 DEAERO C[C@H]1OCC[C@]12C[NH+]=C(N)N2c1ccccc1Br ZINC000148448757 186044620 /nfs/dbraw/zinc/04/46/20/186044620.db2.gz DMYNKFLXRPXLEP-RNCFNFMXSA-N 1 0 310.195 2.131 10 0 DEAERO Cc1ccc([C@H]2NCC(=O)N2C[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000143218687 186033355 /nfs/dbraw/zinc/03/33/55/186033355.db2.gz WCTIVLFPJZJOCB-CJNGLKHVSA-N 1 0 307.463 2.217 10 0 DEAERO Cc1ccc([C@@H]2N[C@@H](C)C(=O)N2C[C@@H]2CCCC[N@@H+]2C)s1 ZINC000144330271 186034931 /nfs/dbraw/zinc/03/49/31/186034931.db2.gz FULWTAVEWPYHFZ-KCQAQPDRSA-N 1 0 307.463 2.360 10 0 DEAERO CC(C)[NH2+]CCc1ccc(S(=O)(=O)N(C)C2CCC2)s1 ZINC000144633321 186035674 /nfs/dbraw/zinc/03/56/74/186035674.db2.gz DXKXWNRBSSMAPK-UHFFFAOYSA-N 1 0 316.492 2.462 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(C)C2CCC2)cc(C)c1F ZINC000144636532 186035764 /nfs/dbraw/zinc/03/57/64/186035764.db2.gz WCLUIYUDPMEAAH-UHFFFAOYSA-N 1 0 314.426 2.417 10 0 DEAERO C[C@H](O)C(C)(C)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000145022424 186036447 /nfs/dbraw/zinc/03/64/47/186036447.db2.gz SWZCBBYTDHMBHO-VIFPVBQESA-N 1 0 315.211 2.137 10 0 DEAERO CC[NH+](CC)C[C@H](C)N1C(=O)C2(CC2)N[C@H]1c1cccs1 ZINC000145144945 186036468 /nfs/dbraw/zinc/03/64/68/186036468.db2.gz OYYACAUCUCVFNP-GXTWGEPZSA-N 1 0 307.463 2.441 10 0 DEAERO CCC[C@@H]1N[C@H](c2ccc(C)s2)N([C@@H]2CC[N@H+](C)C2)C1=O ZINC000145235995 186036604 /nfs/dbraw/zinc/03/66/04/186036604.db2.gz KHOPMIXTVWXYMP-IPYPFGDCSA-N 1 0 307.463 2.360 10 0 DEAERO C[C@@H](CS(=O)(=O)N(C)CC1CC[NH2+]CC1)c1ccccc1 ZINC000149520040 186050691 /nfs/dbraw/zinc/05/06/91/186050691.db2.gz TUHBOLAQFCUXKK-AWEZNQCLSA-N 1 0 310.463 2.051 10 0 DEAERO CCn1nc(C)c(Br)c1C[NH2+][C@@H]1CCO[C@H]1C ZINC000149601273 186051784 /nfs/dbraw/zinc/05/17/84/186051784.db2.gz ITSLIONXACGSIS-VHSXEESVSA-N 1 0 302.216 2.241 10 0 DEAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)CCc1ccccc1 ZINC000149602635 186051940 /nfs/dbraw/zinc/05/19/40/186051940.db2.gz NIDAMGOFJIQFDL-MRXNPFEDSA-N 1 0 310.463 2.023 10 0 DEAERO C[C@@H]1CCC[C@@](C[NH3+])(NS(=O)(=O)CCc2ccccc2)C1 ZINC000149590516 186052019 /nfs/dbraw/zinc/05/20/19/186052019.db2.gz JBHHVYDAJFRYLW-GDBMZVCRSA-N 1 0 310.463 2.056 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000149862374 186053091 /nfs/dbraw/zinc/05/30/91/186053091.db2.gz QDKPONIDUCCYQF-MRVPVSSYSA-N 1 0 300.305 2.065 10 0 DEAERO CCCNc1nc(Cl)nc(N2CC[C@H]([NH+](CC)CC)C2)n1 ZINC000149912090 186053648 /nfs/dbraw/zinc/05/36/48/186053648.db2.gz HSGZSDSIIASRGG-NSHDSACASA-N 1 0 312.849 2.267 10 0 DEAERO CCc1nn(CC)c(C[C@@](O)(C[NH3+])C(C)C)c1Br ZINC000150078989 186054805 /nfs/dbraw/zinc/05/48/05/186054805.db2.gz RUDUAABFVTYTJT-CYBMUJFWSA-N 1 0 318.259 2.116 10 0 DEAERO CC[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000150147418 186054908 /nfs/dbraw/zinc/05/49/08/186054908.db2.gz FIDPZPIVEIPWIZ-BXUZGUMPSA-N 1 0 317.838 2.434 10 0 DEAERO C[NH2+][C@H]1CC(C)(C)Cc2nc([C@H]3CCS(=O)(=O)C3)sc21 ZINC000150259389 186055973 /nfs/dbraw/zinc/05/59/73/186055973.db2.gz DOVWKPQUHNUXDT-UWVGGRQHSA-N 1 0 314.476 2.278 10 0 DEAERO CCCC[C@H](C[NH3+])Nc1nc(C(F)(F)F)ccc1C(N)=O ZINC000150333198 186056686 /nfs/dbraw/zinc/05/66/86/186056686.db2.gz XGQCHKMBAHZSOK-MRVPVSSYSA-N 1 0 304.316 2.129 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(O)CCCCC1 ZINC000152434650 186072435 /nfs/dbraw/zinc/07/24/35/186072435.db2.gz WEEXVNNIXISYNB-OAHLLOKOSA-N 1 0 311.470 2.101 10 0 DEAERO COCCN(CCOC)c1ccc(C(F)(F)F)c(C[NH3+])c1 ZINC000163946818 186143651 /nfs/dbraw/zinc/14/36/51/186143651.db2.gz MQDDGECNCYZDFF-UHFFFAOYSA-N 1 0 306.328 2.263 10 0 DEAERO C[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000163991905 186144801 /nfs/dbraw/zinc/14/48/01/186144801.db2.gz RFRHUVXWVHTYLG-MNOVXSKESA-N 1 0 318.389 2.104 10 0 DEAERO C[NH2+]C[C@H](Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000163992649 186145473 /nfs/dbraw/zinc/14/54/73/186145473.db2.gz LCUFYMOIWOUULQ-NEPJUHHUSA-N 1 0 319.829 2.292 10 0 DEAERO C[C@@](O)(C[N@@H+]1CCCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000155865214 186119107 /nfs/dbraw/zinc/11/91/07/186119107.db2.gz CDZRXNMPWKRIOV-OAHLLOKOSA-N 1 0 316.367 2.464 10 0 DEAERO CC(C)[C@@](C)(C[NH3+])NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000155937778 186124034 /nfs/dbraw/zinc/12/40/34/186124034.db2.gz SJPUHMLRGAIXBZ-CYBMUJFWSA-N 1 0 310.266 2.485 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nnc(Cl)s1 ZINC000159732836 186137801 /nfs/dbraw/zinc/13/78/01/186137801.db2.gz HNOCFFDUIHGCTH-VIFPVBQESA-N 1 0 302.831 2.186 10 0 DEAERO Cc1nn(C)c(C[C@@H]([NH3+])[C@@H]2CCSC2)c1Br ZINC000163850199 186140273 /nfs/dbraw/zinc/14/02/73/186140273.db2.gz ALVFIAJFCVDCSD-RKDXNWHRSA-N 1 0 304.257 2.114 10 0 DEAERO CN(C)[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000171506172 186169699 /nfs/dbraw/zinc/16/96/99/186169699.db2.gz XGTYTVZGVKHMMM-GOSISDBHSA-N 1 0 315.461 2.376 10 0 DEAERO CC(C)C[NH2+]Cc1ccc(-n2cc(C(N)=O)cn2)c(Cl)c1 ZINC000164214292 186152668 /nfs/dbraw/zinc/15/26/68/186152668.db2.gz WPMVSJNNYFTDBF-UHFFFAOYSA-N 1 0 306.797 2.370 10 0 DEAERO CC(C)n1ncc(Br)c1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000164255291 186153846 /nfs/dbraw/zinc/15/38/46/186153846.db2.gz NDFWHIOTFOLIJT-GFCCVEGCSA-N 1 0 300.200 2.409 10 0 DEAERO Cn1c2ccc(S(C)(=O)=O)cc2nc1CCCCCC[NH3+] ZINC000164361887 186157645 /nfs/dbraw/zinc/15/76/45/186157645.db2.gz AJKQBANXFZYODL-UHFFFAOYSA-N 1 0 309.435 2.038 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000164412252 186158623 /nfs/dbraw/zinc/15/86/23/186158623.db2.gz IENKHMGIOKLDTL-BDAKNGLRSA-N 1 0 300.200 2.223 10 0 DEAERO Cc1cc(N2CC[C@@H]([N@@H+]3CCCc4ccccc4C3)C2=O)n(C)n1 ZINC000173349547 186179846 /nfs/dbraw/zinc/17/98/46/186179846.db2.gz VBJNSVGYNHDSHF-QGZVFWFLSA-N 1 0 324.428 2.282 10 0 DEAERO C[NH+](C)C[C@H](NCc1cn(C(C)(C)C)nn1)c1ccccc1 ZINC000189940017 186252169 /nfs/dbraw/zinc/25/21/69/186252169.db2.gz TYETVOVUVIQCIE-INIZCTEOSA-N 1 0 301.438 2.426 10 0 DEAERO CCCN(CCC)C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171645394 197960178 /nfs/dbraw/zinc/96/01/78/197960178.db2.gz DWBNFYKXJGIZAY-MRXNPFEDSA-N 1 0 318.465 2.464 10 0 DEAERO CCn1cc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000171650232 197961150 /nfs/dbraw/zinc/96/11/50/197961150.db2.gz OZZYDJFKDWYNMZ-OAHLLOKOSA-N 1 0 305.426 2.385 10 0 DEAERO CC(C)Oc1ncccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171890227 198002301 /nfs/dbraw/zinc/00/23/01/198002301.db2.gz BYCFHFWTTCPHIB-CYBMUJFWSA-N 1 0 304.394 2.181 10 0 DEAERO COCCOc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000172058207 198032728 /nfs/dbraw/zinc/03/27/28/198032728.db2.gz RPKSANWGWUISAN-GOEBONIOSA-N 1 0 318.417 2.021 10 0 DEAERO Cc1ccccc1CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000172134538 198044810 /nfs/dbraw/zinc/04/48/10/198044810.db2.gz HCGSSWDMFZFPST-DOTOQJQBSA-N 1 0 301.434 2.416 10 0 DEAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(C(C)(C)C)CC1 ZINC000172185810 198054251 /nfs/dbraw/zinc/05/42/51/198054251.db2.gz ODQMGIWLAJWSEF-HNNXBMFYSA-N 1 0 324.513 2.090 10 0 DEAERO [NH3+]CCN1C(=O)CC[C@H]2CN(c3ccc4ccccc4n3)CC[C@H]21 ZINC000072428485 191161385 /nfs/dbraw/zinc/16/13/85/191161385.db2.gz LMPRNWNWMOTTIC-DOTOQJQBSA-N 1 0 324.428 2.011 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000072589373 191197821 /nfs/dbraw/zinc/19/78/21/191197821.db2.gz JFDKJKVHKQPGTH-UHFFFAOYSA-N 1 0 306.410 2.131 10 0 DEAERO COc1cccc(NC(=O)CC[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000072662298 191210169 /nfs/dbraw/zinc/21/01/69/191210169.db2.gz HQPIUDNMWUYDPG-UUVAVEHKSA-N 1 0 318.417 2.117 10 0 DEAERO C[C@H](C(=O)Nc1cc(F)ccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172801976 198151075 /nfs/dbraw/zinc/15/10/75/198151075.db2.gz PQVJSXZGAFQREA-TZMCWYRMSA-N 1 0 323.387 2.462 10 0 DEAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCC(=O)NC(=O)NC)o1 ZINC000172871225 198159875 /nfs/dbraw/zinc/15/98/75/198159875.db2.gz FWVBKUYXSRCFSW-ZDUSSCGKSA-N 1 0 307.394 2.215 10 0 DEAERO CCN(C(=O)c1nscc1Br)[C@H]1CC[N@H+](C)C1 ZINC000617562609 363189808 /nfs/dbraw/zinc/18/98/08/363189808.db2.gz RCBFRPYMEXQEBS-QMMMGPOBSA-N 1 0 318.240 2.072 10 0 DEAERO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000072711837 191219590 /nfs/dbraw/zinc/21/95/90/191219590.db2.gz VLPHSXAFEAQNPV-CYBMUJFWSA-N 1 0 315.421 2.175 10 0 DEAERO CCc1cnc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)s1 ZINC000173041094 198180182 /nfs/dbraw/zinc/18/01/82/198180182.db2.gz UKZXYWGHKVPQIS-HNNXBMFYSA-N 1 0 317.458 2.495 10 0 DEAERO CC(C)(C)n1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cn1 ZINC000329646393 539924977 /nfs/dbraw/zinc/92/49/77/539924977.db2.gz DPKVQSYKBBOALF-CHWSQXEVSA-N 1 0 317.393 2.224 10 0 DEAERO COc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173188274 198193444 /nfs/dbraw/zinc/19/34/44/198193444.db2.gz IBPFTBGWEVHBRF-HIFRSBDPSA-N 1 0 305.422 2.319 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2nc3c(s2)COCC3)CC[N@@H+]1C ZINC000173241805 198199540 /nfs/dbraw/zinc/19/95/40/198199540.db2.gz AIFWJLKJJIQWKO-QWRGUYRKSA-N 1 0 324.450 2.162 10 0 DEAERO O=C(N[C@@H]1CCOc2ccccc21)N1CCC2(CC[NH2+]2)CC1 ZINC000333249891 539953584 /nfs/dbraw/zinc/95/35/84/539953584.db2.gz GMYHRHQEJSNSQM-CQSZACIVSA-N 1 0 301.390 2.048 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000173275557 198205890 /nfs/dbraw/zinc/20/58/90/198205890.db2.gz IIWGVIGDJKUTKZ-ZWNOBZJWSA-N 1 0 316.492 2.468 10 0 DEAERO Cc1cccc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000333175732 539950492 /nfs/dbraw/zinc/95/04/92/539950492.db2.gz QWPCXWRKVSVBRH-HOCLYGCPSA-N 1 0 318.421 2.140 10 0 DEAERO COC[C@@H](C)[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000173685501 198241188 /nfs/dbraw/zinc/24/11/88/198241188.db2.gz XNVJSXAHLLLECL-MRXNPFEDSA-N 1 0 314.433 2.025 10 0 DEAERO Cn1cccc1C(=O)CN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000173797558 198253144 /nfs/dbraw/zinc/25/31/44/198253144.db2.gz RETXOYVOYSUPGX-ZDUSSCGKSA-N 1 0 321.421 2.197 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)NCCCNc2ccccn2)CC[N@@H+]1C ZINC000173955108 198272865 /nfs/dbraw/zinc/27/28/65/198272865.db2.gz HHFWIJJOOFECOF-GJZGRUSLSA-N 1 0 319.453 2.008 10 0 DEAERO COCc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173810984 198255118 /nfs/dbraw/zinc/25/51/18/198255118.db2.gz FULLKBGBODEYDT-PBHICJAKSA-N 1 0 319.449 2.457 10 0 DEAERO COCc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173813598 198255695 /nfs/dbraw/zinc/25/56/95/198255695.db2.gz PJEGUFAZTABUIY-PBHICJAKSA-N 1 0 319.449 2.457 10 0 DEAERO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000174004249 198279407 /nfs/dbraw/zinc/27/94/07/198279407.db2.gz IVLVLRWPPFJEIT-OCCSQVGLSA-N 1 0 323.412 2.458 10 0 DEAERO O=C(NCCc1c(F)cccc1F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174131650 198295781 /nfs/dbraw/zinc/29/57/81/198295781.db2.gz KFUDXDRRZJQKGI-ZDUSSCGKSA-N 1 0 321.371 2.163 10 0 DEAERO C[N@H+](CCc1cccs1)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000174158990 198299568 /nfs/dbraw/zinc/29/95/68/198299568.db2.gz SZPGDIAGQYIDEH-HOTGVXAUSA-N 1 0 322.474 2.392 10 0 DEAERO C[C@@H](CC(=O)N1CC[C@@H]([NH+](C)C)C1)C(=O)c1cccc(F)c1 ZINC000174584724 198355505 /nfs/dbraw/zinc/35/55/05/198355505.db2.gz KJNVKYBEKMQTET-SWLSCSKDSA-N 1 0 306.381 2.197 10 0 DEAERO CC[C@H]1CN(C(=O)c2ccc3cc[nH]c3c2)CC[N@@H+]1C[C@@H](C)O ZINC000174629705 198362047 /nfs/dbraw/zinc/36/20/47/198362047.db2.gz OFMIMWPRFKJDOC-CJNGLKHVSA-N 1 0 315.417 2.085 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC000175850451 198516786 /nfs/dbraw/zinc/51/67/86/198516786.db2.gz PKJWRNVXMQYCOW-OAHLLOKOSA-N 1 0 319.348 2.174 10 0 DEAERO CCC[N@H+](C)CC(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000359311831 535249674 /nfs/dbraw/zinc/24/96/74/535249674.db2.gz NJVDIKDOTAZLMT-ZDUSSCGKSA-N 1 0 308.422 2.093 10 0 DEAERO COCC[C@H](C)[NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000176108306 198547297 /nfs/dbraw/zinc/54/72/97/198547297.db2.gz TYYJCSRTMAJYQC-ZFWWWQNUSA-N 1 0 312.479 2.444 10 0 DEAERO COc1cc2c(cc1OC)[C@@H](CC(=O)NCC(C)C)[NH2+]CC2 ZINC000041536464 354175392 /nfs/dbraw/zinc/17/53/92/354175392.db2.gz KRHHHZOJKIVSRB-CQSZACIVSA-N 1 0 306.406 2.053 10 0 DEAERO CCC[NH2+]CCNC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000236773042 202002629 /nfs/dbraw/zinc/00/26/29/202002629.db2.gz ICUOCZNQRJPPAE-UHFFFAOYSA-N 1 0 305.353 2.139 10 0 DEAERO CC[N@@H+](Cc1cccs1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176627828 198605807 /nfs/dbraw/zinc/60/58/07/198605807.db2.gz NUVMIZJVYKDVKX-CYBMUJFWSA-N 1 0 316.492 2.242 10 0 DEAERO CN1CCO[C@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000180501252 283024977 /nfs/dbraw/zinc/02/49/77/283024977.db2.gz LGKLUTUVDXKYLE-GDBMZVCRSA-N 1 0 302.418 2.353 10 0 DEAERO C[NH+]1CCN(CCCNC(=O)c2cccc3ccccc32)CC1 ZINC000061523684 354627171 /nfs/dbraw/zinc/62/71/71/354627171.db2.gz PDWIWMBXANQECR-UHFFFAOYSA-N 1 0 311.429 2.207 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)nn1-c1ccccc1 ZINC000060470512 354615537 /nfs/dbraw/zinc/61/55/37/354615537.db2.gz PXTBDANOAPGIPW-CQSZACIVSA-N 1 0 310.401 2.147 10 0 DEAERO Cc1cc(Br)cc(C(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000618191389 363408164 /nfs/dbraw/zinc/40/81/64/363408164.db2.gz BEVCPBYQWGJAAK-UHFFFAOYSA-N 1 0 311.223 2.391 10 0 DEAERO COc1cccc([C@@H](CNC(=O)N(C)C2CCC2)[NH+](C)C)c1 ZINC000073493253 191320698 /nfs/dbraw/zinc/32/06/98/191320698.db2.gz KFEOLCNTCUAWEF-MRXNPFEDSA-N 1 0 305.422 2.492 10 0 DEAERO CCc1nc(-c2cnccn2)nc(NC[C@@H]2CCC[NH2+]C2)c1C ZINC000073684865 191341945 /nfs/dbraw/zinc/34/19/45/191341945.db2.gz PFKLCXXCMFOPGJ-CYBMUJFWSA-N 1 0 312.421 2.216 10 0 DEAERO COc1cc2nc(Cl)nc(N[C@@H]3CCC[NH2+]C3)c2cc1OC ZINC000073735620 191349238 /nfs/dbraw/zinc/34/92/38/191349238.db2.gz HTLLPJPVWDLXDC-SECBINFHSA-N 1 0 322.796 2.464 10 0 DEAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ncc(Br)s2)C1 ZINC000390481849 540133290 /nfs/dbraw/zinc/13/32/90/540133290.db2.gz NDZZKMZJKKEINN-BDAKNGLRSA-N 1 0 304.257 2.335 10 0 DEAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2ncc(Br)s2)C1 ZINC000390481850 540133396 /nfs/dbraw/zinc/13/33/96/540133396.db2.gz NDZZKMZJKKEINN-DTWKUNHWSA-N 1 0 304.257 2.335 10 0 DEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]2CCCO2)o1 ZINC000079620051 355322146 /nfs/dbraw/zinc/32/21/46/355322146.db2.gz OUMGWUZITRMJJB-HOCLYGCPSA-N 1 0 323.437 2.229 10 0 DEAERO C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCCO1 ZINC000079653089 355323059 /nfs/dbraw/zinc/32/30/59/355323059.db2.gz PCYNYYQFTKHMIB-VBNZEHGJSA-N 1 0 323.412 2.295 10 0 DEAERO CC[C@H]1Nc2cc(OC)ccc2N(CC[NH+]2CCCC2)C1=O ZINC000075274770 191454011 /nfs/dbraw/zinc/45/40/11/191454011.db2.gz OUZOHFMNGXTGME-CQSZACIVSA-N 1 0 303.406 2.328 10 0 DEAERO C[C@@H]1CC[C@H](C)N(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000075285893 191456152 /nfs/dbraw/zinc/45/61/52/191456152.db2.gz QOMMKMUURGROQQ-CABCVRRESA-N 1 0 316.449 2.094 10 0 DEAERO CC(=O)Nc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000080718051 355382344 /nfs/dbraw/zinc/38/23/44/355382344.db2.gz XTMZLMPTFGGRHE-ALOPSCKCSA-N 1 0 315.417 2.390 10 0 DEAERO Cc1nn(C)c(C)c1[C@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080717908 355382877 /nfs/dbraw/zinc/38/28/77/355382877.db2.gz YPXWJIJDZIIDHS-RJPYNODJSA-N 1 0 318.465 2.272 10 0 DEAERO Cc1nnc(NC(=O)c2ccccc2OCC[NH+](C)C)s1 ZINC000080327574 355357090 /nfs/dbraw/zinc/35/70/90/355357090.db2.gz MZPYCSMOSHAICM-UHFFFAOYSA-N 1 0 306.391 2.039 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1csc(Br)c1)C(F)(F)F ZINC000401750537 540142432 /nfs/dbraw/zinc/14/24/32/540142432.db2.gz NJXXLTULYQTECU-RXMQYKEDSA-N 1 0 317.130 2.130 10 0 DEAERO CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000236820131 202025827 /nfs/dbraw/zinc/02/58/27/202025827.db2.gz WFVXBAHFFYCVIR-GJZGRUSLSA-N 1 0 303.406 2.235 10 0 DEAERO C[C@H](CNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)[N@H+](C)C1CC1 ZINC000105100116 355719348 /nfs/dbraw/zinc/71/93/48/355719348.db2.gz XBPZVQBMDBKGLK-NEPJUHHUSA-N 1 0 319.405 2.258 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000119901545 355788786 /nfs/dbraw/zinc/78/87/86/355788786.db2.gz XMIPPZKDFXZOOI-XHSDSOJGSA-N 1 0 323.481 2.221 10 0 DEAERO COC[C@@H]1C[N@H+](C)CC12CCN(C(=O)NC1CCCCC1)CC2 ZINC000169782635 355982517 /nfs/dbraw/zinc/98/25/17/355982517.db2.gz OFLCXJXSFNSXOB-HNNXBMFYSA-N 1 0 323.481 2.319 10 0 DEAERO CCN(CCNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(C)c1 ZINC000170863159 355994017 /nfs/dbraw/zinc/99/40/17/355994017.db2.gz LHWUOOCGCUBCNE-QGZVFWFLSA-N 1 0 318.465 2.167 10 0 DEAERO CCCC1CCC(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000180333150 356048148 /nfs/dbraw/zinc/04/81/48/356048148.db2.gz WVFGDYAEEKKGOW-YMAMQOFZSA-N 1 0 302.484 2.216 10 0 DEAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccoc2)ncn1 ZINC000180572814 356053242 /nfs/dbraw/zinc/05/32/42/356053242.db2.gz OUEDEORRBBDWRD-GXTWGEPZSA-N 1 0 301.394 2.431 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181548494 356084715 /nfs/dbraw/zinc/08/47/15/356084715.db2.gz JOIMFOMCLKXHJJ-KBPBESRZSA-N 1 0 317.433 2.066 10 0 DEAERO O=C(N[C@@H]1CCCOCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181810843 356097420 /nfs/dbraw/zinc/09/74/20/356097420.db2.gz IAIOXDCOBUUGDR-MRXNPFEDSA-N 1 0 309.454 2.073 10 0 DEAERO COc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3nccc3[nH]2)cc1F ZINC000181998783 356103863 /nfs/dbraw/zinc/10/38/63/356103863.db2.gz IABKDWWVWFBLIF-JTQLQIEISA-N 1 0 316.336 2.021 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000183140305 356161380 /nfs/dbraw/zinc/16/13/80/356161380.db2.gz MLXIJFWHQOZPSH-GDBMZVCRSA-N 1 0 306.454 2.442 10 0 DEAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000183212111 356163142 /nfs/dbraw/zinc/16/31/42/356163142.db2.gz DRASDFSYRLMVIF-MRXNPFEDSA-N 1 0 315.417 2.278 10 0 DEAERO C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1)CS(C)(=O)=O ZINC000183594661 356176754 /nfs/dbraw/zinc/17/67/54/356176754.db2.gz JMCKXVNBCFJCCL-KGLIPLIRSA-N 1 0 321.446 2.204 10 0 DEAERO CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1nccs1 ZINC000080268796 192019384 /nfs/dbraw/zinc/01/93/84/192019384.db2.gz PTJBHQTXRQAXFV-KGLIPLIRSA-N 1 0 301.415 2.425 10 0 DEAERO COc1cc(C)c([C@@H](C)[NH2+]CCCn2ccnn2)cc1OC ZINC000184263241 356189318 /nfs/dbraw/zinc/18/93/18/356189318.db2.gz WTEWTIJUVYNCDG-CYBMUJFWSA-N 1 0 304.394 2.345 10 0 DEAERO CC(C)CCCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184828625 356197476 /nfs/dbraw/zinc/19/74/76/356197476.db2.gz OSWYXAYEOSKSQR-HNNXBMFYSA-N 1 0 313.486 2.157 10 0 DEAERO CCN1CCC([N@H+](C)C[C@@H](C(N)=S)c2ccccc2)CC1 ZINC000080797502 192191538 /nfs/dbraw/zinc/19/15/38/192191538.db2.gz ZKLCKJVPXRILMH-MRXNPFEDSA-N 1 0 305.491 2.472 10 0 DEAERO CC[C@@H](C)[NH+]1CCN(C[C@@H](C(N)=S)c2ccccc2)CC1 ZINC000080797690 192192054 /nfs/dbraw/zinc/19/20/54/192192054.db2.gz FTZHULBHXQHDCN-GDBMZVCRSA-N 1 0 305.491 2.472 10 0 DEAERO COc1ccc(OC)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000080716721 192184081 /nfs/dbraw/zinc/18/40/81/192184081.db2.gz SKAUGIPFSQUSHI-AGUYFDCRSA-N 1 0 318.417 2.449 10 0 DEAERO [NH3+][C@@H]1CCCO[C@@H]1c1ccc(I)cc1 ZINC000218131834 356273417 /nfs/dbraw/zinc/27/34/17/356273417.db2.gz MBUMLEVSISVLPF-GHMZBOCLSA-N 1 0 303.143 2.470 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000080718337 192185826 /nfs/dbraw/zinc/18/58/26/192185826.db2.gz YHATYGMAKBCHIQ-HNSVSWJLSA-N 1 0 304.438 2.192 10 0 DEAERO [NH3+]C[C@H]1c2ccccc2CCN1c1ncc(Br)cn1 ZINC000227724644 356280224 /nfs/dbraw/zinc/28/02/24/356280224.db2.gz GTUROKVLBKGZOV-ZDUSSCGKSA-N 1 0 319.206 2.302 10 0 DEAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(Cl)cn1 ZINC000227721236 356280464 /nfs/dbraw/zinc/28/04/64/356280464.db2.gz YOTWINWLEJJGDF-OAHLLOKOSA-N 1 0 301.777 2.433 10 0 DEAERO Cc1c(C[NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000400390935 283156177 /nfs/dbraw/zinc/15/61/77/283156177.db2.gz IHMUFABCAFGKMY-OCCSQVGLSA-N 1 0 322.453 2.464 10 0 DEAERO COC[C@H]1CCN(c2nc3sccn3c2C[NH2+]C2CC2)C1 ZINC000081072612 192222158 /nfs/dbraw/zinc/22/21/58/192222158.db2.gz CICQGHNJNDQPHX-NSHDSACASA-N 1 0 306.435 2.121 10 0 DEAERO C[C@@H](C[NH3+])CNc1ccc(F)cc1I ZINC000306620849 356404547 /nfs/dbraw/zinc/40/45/47/356404547.db2.gz YHJSXHRYEDJWFF-ZETCQYMHSA-N 1 0 308.138 2.437 10 0 DEAERO CC1(C)CN(c2nc(N)ns2)CC[N@@H+]1Cc1ccccc1 ZINC000306637391 356404768 /nfs/dbraw/zinc/40/47/68/356404768.db2.gz BPRLWPIYEHVHPR-UHFFFAOYSA-N 1 0 303.435 2.221 10 0 DEAERO CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1cccc2cn[nH]c21 ZINC000328615905 356460614 /nfs/dbraw/zinc/46/06/14/356460614.db2.gz BDTNEXPFANVQKK-GFCCVEGCSA-N 1 0 309.373 2.094 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCn2cnnc2C1 ZINC000081530802 192284259 /nfs/dbraw/zinc/28/42/59/192284259.db2.gz YVLMILFUUKEJQC-UKRRQHHQSA-N 1 0 305.813 2.226 10 0 DEAERO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(I)cc1 ZINC000382201768 356674669 /nfs/dbraw/zinc/67/46/69/356674669.db2.gz FGFPNZAFRMAXDZ-XXILOJSOSA-N 1 0 317.170 2.465 10 0 DEAERO COCC[C@](C)(O)C[NH2+]Cc1ccsc1Br ZINC000388728829 356706414 /nfs/dbraw/zinc/70/64/14/356706414.db2.gz CLRKSMKZXUBRET-NSHDSACASA-N 1 0 308.241 2.388 10 0 DEAERO COC(=O)c1cnc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000390675742 356710066 /nfs/dbraw/zinc/71/00/66/356710066.db2.gz XLOCMPLDGPGTGK-CYBMUJFWSA-N 1 0 314.389 2.196 10 0 DEAERO CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OCC ZINC000409422861 356736530 /nfs/dbraw/zinc/73/65/30/356736530.db2.gz LEHBRHCPFGBRIN-QWHCGFSZSA-N 1 0 314.426 2.175 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000178038127 198807563 /nfs/dbraw/zinc/80/75/63/198807563.db2.gz MYZPEOMBEGHUGW-DYVFJYSZSA-N 1 0 314.433 2.079 10 0 DEAERO c1cn([C@@H]2CCC[N@@H+](CCN3CCCc4ccccc43)C2)nn1 ZINC000578621059 356846032 /nfs/dbraw/zinc/84/60/32/356846032.db2.gz HYMNXHSQPIZHJI-QGZVFWFLSA-N 1 0 311.433 2.368 10 0 DEAERO CCC[C@@H]1CN(CCCS(=O)(=O)CC)[C@@](C)(CC)C[NH2+]1 ZINC000086982205 192606511 /nfs/dbraw/zinc/60/65/11/192606511.db2.gz MQDGMTVYLSZJQV-CABCVRRESA-N 1 0 304.500 2.054 10 0 DEAERO CC[C@@]1(C)C[NH2+][C@@H](CC(C)C)CN1CCCS(=O)(=O)CC ZINC000086982450 192606656 /nfs/dbraw/zinc/60/66/56/192606656.db2.gz MUMYEHGWVQCOCO-HOTGVXAUSA-N 1 0 318.527 2.300 10 0 DEAERO C[NH2+]Cc1ccccc1S(=O)(=O)N(C)Cc1ccc(C)o1 ZINC000088955563 192667115 /nfs/dbraw/zinc/66/71/15/192667115.db2.gz BFDXFLUEUMIRQJ-UHFFFAOYSA-N 1 0 308.403 2.128 10 0 DEAERO C[NH2+]Cc1cccc(CS(=O)(=O)N2[C@H](C)CCC[C@H]2C)c1 ZINC000088926640 192659721 /nfs/dbraw/zinc/65/97/21/192659721.db2.gz ICUHIUFOPVUECA-ZIAGYGMSSA-N 1 0 310.463 2.499 10 0 DEAERO CCN(C)S(=O)(=O)c1ccc(OCCC[NH2+]C(C)C)cc1 ZINC000088940524 192661391 /nfs/dbraw/zinc/66/13/91/192661391.db2.gz NWVCBYIDEDUHKA-UHFFFAOYSA-N 1 0 314.451 2.094 10 0 DEAERO C[C@@H]1CC(C[NH2+]C[C@@H](O)COCc2ccccc2)C[C@@H](C)O1 ZINC000581812339 357249093 /nfs/dbraw/zinc/24/90/93/357249093.db2.gz UCYSTIJXDKTQET-IIDMSEBBSA-N 1 0 307.434 2.357 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CC[C@H](C)C2)ccc1Cl ZINC000088986943 192682440 /nfs/dbraw/zinc/68/24/40/192682440.db2.gz ZBYABUITBXNKRP-JTQLQIEISA-N 1 0 302.827 2.090 10 0 DEAERO CCCCN(C1CC1)S(=O)(=O)c1ccc(CC[NH2+]C)cc1 ZINC000088995208 192687302 /nfs/dbraw/zinc/68/73/02/192687302.db2.gz LLFOILQOUKXIFJ-UHFFFAOYSA-N 1 0 310.463 2.402 10 0 DEAERO CC[NH+](CC)Cc1ccc(C(=O)N2CCCn3nccc32)o1 ZINC000588791911 357425217 /nfs/dbraw/zinc/42/52/17/357425217.db2.gz HVLZBTOGERFOCX-UHFFFAOYSA-N 1 0 302.378 2.368 10 0 DEAERO COc1cc(C)c([C@@H](C)[NH2+]CC2(O)CCOCC2)cc1OC ZINC000178635114 198901267 /nfs/dbraw/zinc/90/12/67/198901267.db2.gz HRKMUVXUNKTZEH-CYBMUJFWSA-N 1 0 309.406 2.204 10 0 DEAERO COCc1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000179224986 199001201 /nfs/dbraw/zinc/00/12/01/199001201.db2.gz WTMODYQTZRESRL-QGZVFWFLSA-N 1 0 300.406 2.337 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCCO1 ZINC000179462191 199040058 /nfs/dbraw/zinc/04/00/58/199040058.db2.gz VREATRBVZSKXNX-DJIMGWMZSA-N 1 0 317.433 2.252 10 0 DEAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)cc(F)cc1C ZINC000229331296 283303332 /nfs/dbraw/zinc/30/33/32/283303332.db2.gz VWHWYZIXJQYWOG-CQSZACIVSA-N 1 0 314.426 2.205 10 0 DEAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc4nccn43)C2)no1 ZINC000179999641 199105027 /nfs/dbraw/zinc/10/50/27/199105027.db2.gz ZRSLSESPFKHZFR-CQSZACIVSA-N 1 0 311.389 2.480 10 0 DEAERO C[C@@H](CCCc1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000180107193 199117525 /nfs/dbraw/zinc/11/75/25/199117525.db2.gz DJFGAENQYBSSQO-DOTOQJQBSA-N 1 0 304.434 2.092 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000180145397 199123292 /nfs/dbraw/zinc/12/32/92/199123292.db2.gz RFJQTPMHXKZXIF-OAHLLOKOSA-N 1 0 318.417 2.418 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1nc2ccc(Cl)cc2n1C ZINC000180163611 199124805 /nfs/dbraw/zinc/12/48/05/199124805.db2.gz GDYRREHBRNYRES-AAEUAGOBSA-N 1 0 322.840 2.208 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(CC(C)C)[nH]c(=O)c2)C1 ZINC000180278878 199140805 /nfs/dbraw/zinc/14/08/05/199140805.db2.gz UBWVJOCSLDOZHF-AWEZNQCLSA-N 1 0 305.422 2.200 10 0 DEAERO COc1ccc(/C=C/C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000237304874 202224708 /nfs/dbraw/zinc/22/47/08/202224708.db2.gz FPMIBDXTNDVWSQ-SKVWCYETSA-N 1 0 306.381 2.433 10 0 DEAERO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H](C)c2cnn(C)c2)CC1 ZINC000180390372 199153001 /nfs/dbraw/zinc/15/30/01/199153001.db2.gz ZQHGMVDZHLWXMS-CQSZACIVSA-N 1 0 321.469 2.243 10 0 DEAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2nccs2)ncn1 ZINC000180570542 199177794 /nfs/dbraw/zinc/17/77/94/199177794.db2.gz MNXQSOBHOCVILK-VXGBXAGGSA-N 1 0 318.450 2.294 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc(-n2ccnc2)c1 ZINC000180677271 199195105 /nfs/dbraw/zinc/19/51/05/199195105.db2.gz UEUDPYUMFCXOLJ-CYBMUJFWSA-N 1 0 300.406 2.438 10 0 DEAERO CC(C)NC(=O)CC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180653139 199191533 /nfs/dbraw/zinc/19/15/33/199191533.db2.gz DCWHNDVDRGAMLP-CQSZACIVSA-N 1 0 300.406 2.438 10 0 DEAERO CCCCNC(=O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180659342 199192343 /nfs/dbraw/zinc/19/23/43/199192343.db2.gz GBIMTKFOAUNTEO-AWEZNQCLSA-N 1 0 300.406 2.439 10 0 DEAERO CN([C@@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)CC1CCCCC1 ZINC000089132306 192732433 /nfs/dbraw/zinc/73/24/33/192732433.db2.gz OKTKGRDVTVFICC-HUUCEWRRSA-N 1 0 302.484 2.346 10 0 DEAERO Cc1ccc(CC(=O)NC2CCC(C[NH+](C)C)CC2)cc1O ZINC000089458414 192794317 /nfs/dbraw/zinc/79/43/17/192794317.db2.gz KRQKWBLLDJDZMX-UHFFFAOYSA-N 1 0 304.434 2.480 10 0 DEAERO C[N@H+](C[C@@H](O)CO[C@@H]1CCCc2ccccc21)CC1(CO)CC1 ZINC000186806208 200013961 /nfs/dbraw/zinc/01/39/61/200013961.db2.gz CQQWHJLLOODART-SJLPKXTDSA-N 1 0 319.445 2.146 10 0 DEAERO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000186850508 200021908 /nfs/dbraw/zinc/02/19/08/200021908.db2.gz AEMHFVGMFXUOLN-KBPBESRZSA-N 1 0 303.406 2.078 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)N(C)CC1(CO)CC1)c1ccco1 ZINC000187047573 200052357 /nfs/dbraw/zinc/05/23/57/200052357.db2.gz MHNZOEMEHIZJNW-AWEZNQCLSA-N 1 0 323.437 2.076 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(F)ccc1OC ZINC000187259172 200085351 /nfs/dbraw/zinc/08/53/51/200085351.db2.gz FNZWJRACTYGQHP-AWEZNQCLSA-N 1 0 309.385 2.118 10 0 DEAERO COc1ccc(O)cc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000187455339 200114310 /nfs/dbraw/zinc/11/43/10/200114310.db2.gz 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C[C@@H](C[N@@H+]1CCC[C@@]12CCOC2)c1ccc(S(C)(=O)=O)cc1 ZINC000449311318 240343365 /nfs/dbraw/zinc/34/33/65/240343365.db2.gz LFGCDBGNGYBTSX-YOEHRIQHSA-N 1 0 323.458 2.449 10 0 DEAERO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091135895 193000531 /nfs/dbraw/zinc/00/05/31/193000531.db2.gz TYSOLLSDLVNOCH-MWLCHTKSSA-N 1 0 310.385 2.271 10 0 DEAERO CN1CCOC[C@@H]1C[NH2+]Cc1cccc(Br)c1F ZINC000623713241 365140869 /nfs/dbraw/zinc/14/08/69/365140869.db2.gz WDESXWWUHDJDMX-NSHDSACASA-N 1 0 317.202 2.008 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(Br)nc1 ZINC000091448524 193057895 /nfs/dbraw/zinc/05/78/95/193057895.db2.gz GWSUWMKCBTXXJD-NSHDSACASA-N 1 0 312.211 2.010 10 0 DEAERO CN(Cc1cccc(Br)c1)c1cncc(C[NH3+])n1 ZINC000091420511 193054428 /nfs/dbraw/zinc/05/44/28/193054428.db2.gz YTSRNFCCEASSTI-UHFFFAOYSA-N 1 0 307.195 2.334 10 0 DEAERO CC[C@]1(C(=O)Nc2ccc(Br)c(C)n2)CC[NH2+]C1 ZINC000091507179 193066811 /nfs/dbraw/zinc/06/68/11/193066811.db2.gz GYWYGDDMYBPTKE-ZDUSSCGKSA-N 1 0 312.211 2.481 10 0 DEAERO C[C@@H](CN1CCOCC1)[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000091514647 193067566 /nfs/dbraw/zinc/06/75/66/193067566.db2.gz FAXZTAULZLHODW-HNNXBMFYSA-N 1 0 321.440 2.423 10 0 DEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)C(C)(C)N1CCCC1 ZINC000091536045 193071088 /nfs/dbraw/zinc/07/10/88/193071088.db2.gz CCAAXTQBJVXQNP-HNNXBMFYSA-N 1 0 318.527 2.444 10 0 DEAERO CC[C@@](C)([C@H](N)Cc1c(Br)c(C)nn1C)[NH+](C)C ZINC000091570104 193074362 /nfs/dbraw/zinc/07/43/62/193074362.db2.gz VOGJOGWRAVOHAO-YPMHNXCESA-N 1 0 317.275 2.091 10 0 DEAERO CCC[NH2+][C@H](Cc1csc(C)n1)C(C)(C)N1CCOCC1 ZINC000091567157 193074811 /nfs/dbraw/zinc/07/48/11/193074811.db2.gz DTANKMVMBDDLGW-OAHLLOKOSA-N 1 0 311.495 2.473 10 0 DEAERO CCN(CC)[C@](C)(CC)[C@H](CCCS(=O)(=O)CC)[NH2+]C ZINC000091599022 193078406 /nfs/dbraw/zinc/07/84/06/193078406.db2.gz JARPVDWAYQWIRJ-LSDHHAIUSA-N 1 0 306.516 2.300 10 0 DEAERO CCc1nn(CC)c(C[C@@](C)(O)CC[NH2+]C)c1Br ZINC000091466381 193059668 /nfs/dbraw/zinc/05/96/68/193059668.db2.gz GQFYTRUQYXHVTK-ZDUSSCGKSA-N 1 0 318.259 2.131 10 0 DEAERO COCCN(C)[C@@H](C[NH3+])c1ccc(Br)c(C)c1 ZINC000091470756 193059976 /nfs/dbraw/zinc/05/99/76/193059976.db2.gz BMXAPCFILAQHFV-ZDUSSCGKSA-N 1 0 301.228 2.336 10 0 DEAERO CCC[NH2+]C[C@@H](O)Cc1cc(Br)ccc1OC ZINC000091470532 193060532 /nfs/dbraw/zinc/06/05/32/193060532.db2.gz GUUFXCDRRPJTAV-LBPRGKRZSA-N 1 0 302.212 2.361 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1cccc(Br)c1 ZINC000624172604 365318871 /nfs/dbraw/zinc/31/88/71/365318871.db2.gz QHPOZDNZMJSGSD-SMDDNHRTSA-N 1 0 313.239 2.430 10 0 DEAERO Cc1nc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])ccc1Br ZINC000091507277 193066538 /nfs/dbraw/zinc/06/65/38/193066538.db2.gz CQUZKUXGRTZMDR-NXEZZACHSA-N 1 0 312.211 2.466 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1CN(C)CCO1 ZINC000091717712 193096949 /nfs/dbraw/zinc/09/69/49/193096949.db2.gz DUBYRQOZRLBNJQ-UONOGXRCSA-N 1 0 303.233 2.455 10 0 DEAERO C[NH2+][C@H](Cc1cc(Cl)ccc1Cl)[C@@H]1CN(C)CCO1 ZINC000091717751 193097123 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CC[C@@H]([NH3+])Cc1ccc(OC[C@@H]2CN(C)CCO2)c(Cl)c1 ZINC000092060724 193149681 /nfs/dbraw/zinc/14/96/81/193149681.db2.gz KWILNCAYEHEDSL-KGLIPLIRSA-N 1 0 312.841 2.329 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CSc3ccccc3O2)C1 ZINC000449790338 241091128 /nfs/dbraw/zinc/09/11/28/241091128.db2.gz LEXRHYVFHBNXKC-ZIAGYGMSSA-N 1 0 320.458 2.388 10 0 DEAERO COC(=O)[C@@H]1CCC[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000363303429 291374347 /nfs/dbraw/zinc/37/43/47/291374347.db2.gz YYIDONUIDUFCIJ-YZDRTPDPSA-N 1 0 322.449 2.097 10 0 DEAERO O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000247410424 283987239 /nfs/dbraw/zinc/98/72/39/283987239.db2.gz JJHSVJJJHATQKZ-LULLPPNCSA-N 1 0 323.440 2.228 10 0 DEAERO c1c(C[C@@H]2CCC[NH2+]C2)nnn1Cc1cccc2cccnc21 ZINC000630598329 367748753 /nfs/dbraw/zinc/74/87/53/367748753.db2.gz XSWSZUZFYNAHHP-AWEZNQCLSA-N 1 0 307.401 2.417 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)s1 ZINC000092113935 193161063 /nfs/dbraw/zinc/16/10/63/193161063.db2.gz GRIOHAXXWLTMNR-GHMZBOCLSA-N 1 0 302.465 2.134 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c(C)s1 ZINC000092113750 193161287 /nfs/dbraw/zinc/16/12/87/193161287.db2.gz MHSTZVIYQVEZGK-GHMZBOCLSA-N 1 0 316.492 2.443 10 0 DEAERO CC[NH2+]Cc1cccc(CS(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1 ZINC000092113845 193161582 /nfs/dbraw/zinc/16/15/82/193161582.db2.gz KMBURMIHYAYIID-ZIAGYGMSSA-N 1 0 310.463 2.214 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)CC)c(F)c1 ZINC000092115796 193162921 /nfs/dbraw/zinc/16/29/21/193162921.db2.gz VJELWCQPKSWSOQ-NSHDSACASA-N 1 0 302.415 2.402 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)C2CC2)c(F)c1 ZINC000092115587 193163074 /nfs/dbraw/zinc/16/30/74/193163074.db2.gz DLGPGYRMGJBNAR-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCc3ccccc32)c(F)c1 ZINC000092115530 193163100 /nfs/dbraw/zinc/16/31/00/193163100.db2.gz IVAYZTQGZJCLBT-UHFFFAOYSA-N 1 0 306.362 2.036 10 0 DEAERO O=S(=O)(c1ccc(C[NH2+]C2CC2)cc1F)N1CCCCC1 ZINC000092115542 193163506 /nfs/dbraw/zinc/16/35/06/193163506.db2.gz DGXGGXQCVCPDAB-UHFFFAOYSA-N 1 0 312.410 2.252 10 0 DEAERO C[C@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccc(C[NH3+])cc2F)C1 ZINC000092115915 193164633 /nfs/dbraw/zinc/16/46/33/193164633.db2.gz CXZHYXCBNDTAMZ-WCQYABFASA-N 1 0 314.426 2.484 10 0 DEAERO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)C[NH2+]C)CCC2 ZINC000092136109 193166716 /nfs/dbraw/zinc/16/67/16/193166716.db2.gz WAPKKONDXNEGGH-VIFPVBQESA-N 1 0 310.419 2.208 10 0 DEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000631182961 368067270 /nfs/dbraw/zinc/06/72/70/368067270.db2.gz GPQZPKKOEZKMPE-QWRGUYRKSA-N 1 0 320.614 2.342 10 0 DEAERO c1c(C[NH2+]C[C@@H]2CC3CCC2CC3)nnn1C[C@H]1CCOC1 ZINC000631166519 368057002 /nfs/dbraw/zinc/05/70/02/368057002.db2.gz VGRKCDOTKWQUOB-KNIAUWFNSA-N 1 0 304.438 2.231 10 0 DEAERO Cc1nccnc1[C@@H](C)NCc1c(Br)cnn1C ZINC000631684631 368341422 /nfs/dbraw/zinc/34/14/22/368341422.db2.gz NDZABKZGNGBREP-SECBINFHSA-N 1 0 310.199 2.132 10 0 DEAERO COc1c(CN2CCC[C@H]2C[NH+]2CCCCC2)c(C)nn1C ZINC000092218978 193175492 /nfs/dbraw/zinc/17/54/92/193175492.db2.gz SMJBVALMIZYNGH-HNNXBMFYSA-N 1 0 306.454 2.187 10 0 DEAERO Brc1cncc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890152 368445851 /nfs/dbraw/zinc/44/58/51/368445851.db2.gz PAVYSCGIXOVPTH-TZMCWYRMSA-N 1 0 310.239 2.418 10 0 DEAERO COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC([C@H](C)O)CC2)cc1 ZINC000092970847 193190799 /nfs/dbraw/zinc/19/07/99/193190799.db2.gz HBEGWPGRHCNLIW-KBPBESRZSA-N 1 0 321.417 2.220 10 0 DEAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(F)cc1N(C)C ZINC000123468733 296131257 /nfs/dbraw/zinc/13/12/57/296131257.db2.gz YNSMASNFZLCMQJ-UONOGXRCSA-N 1 0 309.429 2.263 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)O1 ZINC000261717890 203101117 /nfs/dbraw/zinc/10/11/17/203101117.db2.gz JBKIAWVKUCXXOZ-SJORKVTESA-N 1 0 320.408 2.113 10 0 DEAERO Cc1cccc(C2(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)CCCC2)c1 ZINC000261924960 203154653 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CS(=O)(=O)Nc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000093214099 193216951 /nfs/dbraw/zinc/21/69/51/193216951.db2.gz JQOPDLJZLKXYAQ-UWVGGRQHSA-N 1 0 317.842 2.393 10 0 DEAERO COC(C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC000093214475 193217356 /nfs/dbraw/zinc/21/73/56/193217356.db2.gz RPYAJAYPYHKALC-VXGBXAGGSA-N 1 0 302.415 2.031 10 0 DEAERO CS(=O)(=O)c1ccc(Cl)c(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093211604 193217488 /nfs/dbraw/zinc/21/74/88/193217488.db2.gz AXVVMSXPADOMPS-UWVGGRQHSA-N 1 0 302.827 2.425 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](OCC(=O)Nc2cccc(Br)c2)C1 ZINC000093217324 193217712 /nfs/dbraw/zinc/21/77/12/193217712.db2.gz XSDMXTFAUWWRRF-ZYHUDNBSSA-N 1 0 313.195 2.284 10 0 DEAERO CCC(CC)[N@H+](CC(C)C)[C@@]1(CN)CCCS(=O)(=O)C1 ZINC000093308576 193227543 /nfs/dbraw/zinc/22/75/43/193227543.db2.gz RXAGAOAUPJQJSL-OAHLLOKOSA-N 1 0 304.500 2.039 10 0 DEAERO C[NH2+][C@H](Cc1ccc(F)cc1Br)C(OC)OC ZINC000093304908 193227773 /nfs/dbraw/zinc/22/77/73/193227773.db2.gz PDWBAJMPCNCWOS-LLVKDONJSA-N 1 0 306.175 2.338 10 0 DEAERO C[N@@H+]1CC[C@@H](CNC(=O)c2sc3cccc(F)c3c2N)C1 ZINC000093412025 193245446 /nfs/dbraw/zinc/24/54/46/193245446.db2.gz VURGPHFVWZERIE-VIFPVBQESA-N 1 0 307.394 2.304 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2sc3cccc(F)c3c2N)C1 ZINC000093412227 193245510 /nfs/dbraw/zinc/24/55/10/193245510.db2.gz MERAVZHLXNMENQ-VIFPVBQESA-N 1 0 307.394 2.399 10 0 DEAERO NC(=O)c1ccc(Cl)c(NC(=O)C2CCC(C[NH3+])CC2)c1 ZINC000093424955 193249535 /nfs/dbraw/zinc/24/95/35/193249535.db2.gz NDUXVTONAKELJB-UHFFFAOYSA-N 1 0 309.797 2.143 10 0 DEAERO COCCOc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000093437645 193251719 /nfs/dbraw/zinc/25/17/19/193251719.db2.gz SCKWCHRQVIJKID-NVXWUHKLSA-N 1 0 304.434 2.380 10 0 DEAERO C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000093464392 193255832 /nfs/dbraw/zinc/25/58/32/193255832.db2.gz LILCWTLGWZGFQY-GHMZBOCLSA-N 1 0 315.414 2.140 10 0 DEAERO [NH2+]=C1NC[C@H](c2cccc(Br)c2)N1C[C@H]1CCCO1 ZINC000093377900 193241028 /nfs/dbraw/zinc/24/10/28/193241028.db2.gz NHMIHBAHQAVKNK-CHWSQXEVSA-N 1 0 324.222 2.300 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)C1 ZINC000262657473 203369484 /nfs/dbraw/zinc/36/94/84/203369484.db2.gz ZNYNUQZNTVMEPV-DGAVXFQQSA-N 1 0 308.447 2.290 10 0 DEAERO [NH2+]=C1NC[C@H](c2ccc(Br)cc2)N1C[C@H]1CCCO1 ZINC000093378258 193241278 /nfs/dbraw/zinc/24/12/78/193241278.db2.gz YNBFELDBRTVAFA-CHWSQXEVSA-N 1 0 324.222 2.300 10 0 DEAERO Cn1cc([C@H]2CNC(=[NH2+])N2c2ccc(Br)cc2)cn1 ZINC000093387048 193242230 /nfs/dbraw/zinc/24/22/30/193242230.db2.gz OYESPPSIIJJPNW-GFCCVEGCSA-N 1 0 320.194 2.268 10 0 DEAERO C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(S(N)(=O)=O)c1 ZINC000093495932 193259570 /nfs/dbraw/zinc/25/95/70/193259570.db2.gz GDKMWYPJRMVVAP-QWHCGFSZSA-N 1 0 311.451 2.057 10 0 DEAERO CC(C)c1ccc([C@@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000093519989 193263444 /nfs/dbraw/zinc/26/34/44/193263444.db2.gz BDVKZIOIRRUTHJ-HNNXBMFYSA-N 1 0 313.463 2.256 10 0 DEAERO [NH3+][C@@]1(C(=O)[O-])CCC[C@@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000093596143 193271918 /nfs/dbraw/zinc/27/19/18/193271918.db2.gz SPRWFZKVWVBDTA-MFKMUULPSA-N 1 0 308.344 2.233 10 0 DEAERO Cc1nn(CC[C@@H]2CCC[C@]2([NH2+]C2CC2)C(N)=O)cc1Cl ZINC000093616000 193275257 /nfs/dbraw/zinc/27/52/57/193275257.db2.gz PBRXMDQJICFIGG-XHDPSFHLSA-N 1 0 310.829 2.011 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSCCCOC ZINC000093631128 193277031 /nfs/dbraw/zinc/27/70/31/193277031.db2.gz GPPDMLNDKOVKNJ-UKRRQHHQSA-N 1 0 302.484 2.170 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000093696617 193292019 /nfs/dbraw/zinc/29/20/19/193292019.db2.gz XYYOYEPISARAOK-STQMWFEESA-N 1 0 314.426 2.148 10 0 DEAERO C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697119 193293025 /nfs/dbraw/zinc/29/30/25/193293025.db2.gz WKSPKWJSEFJJRD-ILXRZTDVSA-N 1 0 302.484 2.216 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCC(C)CC1 ZINC000093700183 193293997 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COC(=O)[C@@]1(N)CCC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093756683 193301051 /nfs/dbraw/zinc/30/10/51/193301051.db2.gz IPISGOAFRIKOGT-DGCLKSJQSA-N 1 0 308.344 2.074 10 0 DEAERO COC(=O)[C@]1(N)CCC[C@@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093756640 193301288 /nfs/dbraw/zinc/30/12/88/193301288.db2.gz UZILLEWMBMZCBN-LOWVWBTDSA-N 1 0 308.344 2.074 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](N(C)CCC(F)(F)F)C1 ZINC000093756562 193301293 /nfs/dbraw/zinc/30/12/93/193301293.db2.gz ZCPFTDRQKJWWGV-AAEUAGOBSA-N 1 0 309.376 2.037 10 0 DEAERO C[NH2+][C@@]1(C(=O)[O-])CCC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093756687 193302216 /nfs/dbraw/zinc/30/22/16/193302216.db2.gz YVBWDUQUQAJBID-AAEUAGOBSA-N 1 0 308.344 2.246 10 0 DEAERO Cc1cnc(S[C@@H]2CCC[C@@]([NH2+]C(C)C)(C(N)=O)C2)nc1 ZINC000093778966 193306520 /nfs/dbraw/zinc/30/65/20/193306520.db2.gz ALMZRQMHZVHXKX-DOMZBBRYSA-N 1 0 308.451 2.042 10 0 DEAERO COC(=O)[C@]1(C)CC[N@H+](Cc2c(C)nc3sc(C)cn23)C1 ZINC000093813953 193311367 /nfs/dbraw/zinc/31/13/67/193311367.db2.gz ZPWBYPQPIMCAPG-OAHLLOKOSA-N 1 0 307.419 2.398 10 0 DEAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000094006579 193338088 /nfs/dbraw/zinc/33/80/88/193338088.db2.gz YESBBQQULZPZJQ-UHFFFAOYSA-N 1 0 316.854 2.380 10 0 DEAERO CCCN[C@]1(C(=O)OC)CC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093831864 193314582 /nfs/dbraw/zinc/31/45/82/193314582.db2.gz GOLDLXKAIDQKKJ-DGCLKSJQSA-N 1 0 310.360 2.335 10 0 DEAERO CC[NH2+][C@@]1(CO)CC[C@H](n2nc(C)c(Br)c2C)C1 ZINC000093857656 193319430 /nfs/dbraw/zinc/31/94/30/193319430.db2.gz SPGSOFLYYJLLQI-AAEUAGOBSA-N 1 0 316.243 2.328 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(F)cc1C ZINC000093878116 193321928 /nfs/dbraw/zinc/32/19/28/193321928.db2.gz BWNMLSORTOYIPQ-UHFFFAOYSA-N 1 0 302.415 2.130 10 0 DEAERO CC(C)N(CC1CC[NH2+]CC1)S(=O)(=O)Cc1ccccc1 ZINC000094024107 193338993 /nfs/dbraw/zinc/33/89/93/193338993.db2.gz BBAUPNBMSKPCCA-UHFFFAOYSA-N 1 0 310.463 2.226 10 0 DEAERO C[NH2+][C@@H](Cc1c(Cl)cccc1Cl)[C@H]1CN(C)CCN1C ZINC000093894845 193325443 /nfs/dbraw/zinc/32/54/43/193325443.db2.gz QOKTVIFXVJWRFI-LSDHHAIUSA-N 1 0 316.276 2.370 10 0 DEAERO C[NH2+][C@@H](c1ccccc1C(F)(F)F)[C@@H]1CN(C)CCN1C ZINC000093894703 193325657 /nfs/dbraw/zinc/32/56/57/193325657.db2.gz QACYFNSDJBGOEE-KBPBESRZSA-N 1 0 301.356 2.212 10 0 DEAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1F)[C@@H]1CN(C)CCN1C ZINC000093895187 193325694 /nfs/dbraw/zinc/32/56/94/193325694.db2.gz NDHAIZIMSWVYQB-WFASDCNBSA-N 1 0 301.356 2.000 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)Cc1nc(C(C)(C)C)cs1 ZINC000094258288 193355447 /nfs/dbraw/zinc/35/54/47/193355447.db2.gz RCPRNFLMUASJQY-OAHLLOKOSA-N 1 0 300.468 2.360 10 0 DEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(c2ccncc2Cl)CC1 ZINC000094272421 193356295 /nfs/dbraw/zinc/35/62/95/193356295.db2.gz HQUYDCYZLQUOPY-ZDUSSCGKSA-N 1 0 312.870 2.312 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1N(C)CCS(C)(=O)=O ZINC000094298224 193357367 /nfs/dbraw/zinc/35/73/67/193357367.db2.gz TYTWWBCPCADXRM-OAGGEKHMSA-N 1 0 318.527 2.156 10 0 DEAERO CN(CCS(C)(=O)=O)Cc1ccccc1C[NH2+]C(C)(C)C ZINC000094300870 193358538 /nfs/dbraw/zinc/35/85/38/193358538.db2.gz TZZVQBXBABGPQJ-UHFFFAOYSA-N 1 0 312.479 2.051 10 0 DEAERO CC1(C)CCCC[C@H]1NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000094330104 193359750 /nfs/dbraw/zinc/35/97/50/193359750.db2.gz NMNUSHFLSVABKT-CQSZACIVSA-N 1 0 302.484 2.264 10 0 DEAERO CC[NH2+]Cc1cc(F)c(OCCCS(=O)(=O)CC)c(F)c1 ZINC000094346964 193363397 /nfs/dbraw/zinc/36/33/97/193363397.db2.gz RJASWSQHFLTDOT-UHFFFAOYSA-N 1 0 321.389 2.278 10 0 DEAERO CCS(=O)(=O)CCCOc1c(F)cc(C[C@@H](C)[NH3+])cc1F ZINC000094350155 193363770 /nfs/dbraw/zinc/36/37/70/193363770.db2.gz OSYPWSSLRLMXPA-SNVBAGLBSA-N 1 0 321.389 2.058 10 0 DEAERO C[C@H](CC(N)=O)C[C@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000094071923 193343030 /nfs/dbraw/zinc/34/30/30/193343030.db2.gz RJZQFUBUDXUQQZ-CPCISQLKSA-N 1 0 303.175 2.490 10 0 DEAERO CCn1c2ccccc2nc1C[C@](O)([C@@H](C)[NH3+])C(F)(F)F ZINC000094167436 193347251 /nfs/dbraw/zinc/34/72/51/193347251.db2.gz RJOIQKPYNGKCNP-RNCFNFMXSA-N 1 0 301.312 2.239 10 0 DEAERO C[NH2+]Cc1cc(C)ccc1O[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634523 193385826 /nfs/dbraw/zinc/38/58/26/193385826.db2.gz VGEDMOJIUOFAKA-GJZGRUSLSA-N 1 0 311.447 2.449 10 0 DEAERO CC(C)(C)[NH2+]Cc1cnn([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000094644011 193389726 /nfs/dbraw/zinc/38/97/26/193389726.db2.gz ILHXQKOQNVHOER-ZIAGYGMSSA-N 1 0 313.467 2.300 10 0 DEAERO COc1cc(Br)c([C@H](O)[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000094649991 193390236 /nfs/dbraw/zinc/39/02/36/193390236.db2.gz DLCWPBSKHNCVMW-ZWNOBZJWSA-N 1 0 316.195 2.252 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@H](C[NH3+])CC(C)C ZINC000094698673 193391591 /nfs/dbraw/zinc/39/15/91/193391591.db2.gz GANBTSDENUSSIL-LBPRGKRZSA-N 1 0 312.376 2.425 10 0 DEAERO CC(C)[N@H+](CCC(N)=S)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094375916 193367184 /nfs/dbraw/zinc/36/71/84/193367184.db2.gz QQFBDZOELHSYGQ-CYBMUJFWSA-N 1 0 300.468 2.101 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCS[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000094476346 193372888 /nfs/dbraw/zinc/37/28/88/193372888.db2.gz LABVMHCFWMJEOU-WDMOLILDSA-N 1 0 314.476 2.269 10 0 DEAERO CC(C)C[C@H](C[NH3+])C(=O)Nc1ncccc1Br ZINC000094700803 193392450 /nfs/dbraw/zinc/39/24/50/193392450.db2.gz RHPSKGMMWGQGLR-SECBINFHSA-N 1 0 300.200 2.404 10 0 DEAERO Cc1nc(C[NH3+])sc1-c1nc([C@@H]2CSCCS2)no1 ZINC000094495580 193373194 /nfs/dbraw/zinc/37/31/94/193373194.db2.gz JWQRDMXORNVKNY-ZETCQYMHSA-N 1 0 314.461 2.481 10 0 DEAERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)C2)sc1Br ZINC000094494497 193373461 /nfs/dbraw/zinc/37/34/61/193373461.db2.gz MGZIMTYIZHGRMS-QMMMGPOBSA-N 1 0 303.225 2.253 10 0 DEAERO CCC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@@H]1CN2CCN1CC2 ZINC000094510980 193375343 /nfs/dbraw/zinc/37/53/43/193375343.db2.gz LWKDGWONISUMTP-IRXDYDNUSA-N 1 0 307.869 2.251 10 0 DEAERO C[C@]12CC3CC(NS(=O)(=O)[C@@H]4CC[NH2+]C4)(C1)C[C@@](C)(C3)C2 ZINC000094545429 193378719 /nfs/dbraw/zinc/37/87/19/193378719.db2.gz OXYIQQCUPKZSLD-PQARUHEFSA-N 1 0 312.479 2.017 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000094553534 193379161 /nfs/dbraw/zinc/37/91/61/193379161.db2.gz RFUXVZPIHKGJRP-NXEZZACHSA-N 1 0 322.352 2.154 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2nc3ccc(Cl)cc3s2)O1 ZINC000094562964 193379819 /nfs/dbraw/zinc/37/98/19/193379819.db2.gz PYPLTMBCSRGYJO-PSASIEDQSA-N 1 0 311.794 2.395 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccccc2SC(F)F)O1 ZINC000094563103 193379850 /nfs/dbraw/zinc/37/98/50/193379850.db2.gz CNXPMGPTJPGKTR-SCZZXKLOSA-N 1 0 302.346 2.446 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2Br)O1 ZINC000094564931 193380530 /nfs/dbraw/zinc/38/05/30/193380530.db2.gz RPLOJEFNQHTAFQ-LDYMZIIASA-N 1 0 317.158 2.033 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CNc1nc2ccc(Br)cn2n1 ZINC000094604870 193383872 /nfs/dbraw/zinc/38/38/72/193383872.db2.gz GORNUBLJCBWVMY-NSHDSACASA-N 1 0 324.226 2.388 10 0 DEAERO C[NH+](C)CCCCNc1nc2c(Br)cccn2n1 ZINC000094605085 193384016 /nfs/dbraw/zinc/38/40/16/193384016.db2.gz GHSBVKXQCFQCEL-UHFFFAOYSA-N 1 0 312.215 2.246 10 0 DEAERO C[C@H]1CC[C@H](C[NH3+])CN1c1nc2ccc(Br)cn2n1 ZINC000094608455 193384618 /nfs/dbraw/zinc/38/46/18/193384618.db2.gz UTSHBSKHTYUYBT-VHSXEESVSA-N 1 0 324.226 2.055 10 0 DEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1c1nc2c(Br)cccn2n1 ZINC000094608390 193384748 /nfs/dbraw/zinc/38/47/48/193384748.db2.gz YXFWHASNHHIFRB-ZJUUUORDSA-N 1 0 324.226 2.198 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1nc2c(Br)cccn2n1 ZINC000094608814 193384778 /nfs/dbraw/zinc/38/47/78/193384778.db2.gz RPRMOTUWLIDBMQ-WCBMZHEXSA-N 1 0 310.199 2.031 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1nc2c(Br)cccn2n1 ZINC000094608815 193384893 /nfs/dbraw/zinc/38/48/93/193384893.db2.gz RPRMOTUWLIDBMQ-WPRPVWTQSA-N 1 0 310.199 2.031 10 0 DEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)c1cccc(F)c1 ZINC000094624794 193385359 /nfs/dbraw/zinc/38/53/59/193385359.db2.gz RMIQSBUAELYIJK-CVEARBPZSA-N 1 0 305.374 2.485 10 0 DEAERO C[NH2+]Cc1ccccc1S(=O)(=O)NCc1cscc1C ZINC000094887035 193405125 /nfs/dbraw/zinc/40/51/25/193405125.db2.gz RGUGYEKRIVLRGS-UHFFFAOYSA-N 1 0 310.444 2.254 10 0 DEAERO CCC[NH2+]C[C@H](Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000094976303 193410679 /nfs/dbraw/zinc/41/06/79/193410679.db2.gz JGFPQZFCIIWTNM-STQMWFEESA-N 1 0 316.492 2.045 10 0 DEAERO Cc1cc(C)cc(CS(=O)(=O)Cc2ccnc(C[NH3+])c2)c1 ZINC000094721249 193393815 /nfs/dbraw/zinc/39/38/15/193393815.db2.gz CCXUQNLVKSUBBS-UHFFFAOYSA-N 1 0 304.415 2.272 10 0 DEAERO CCN(C(=O)c1c(F)cc(Br)cc1F)C1C[NH2+]C1 ZINC000094717106 193394093 /nfs/dbraw/zinc/39/40/93/193394093.db2.gz AEUGQGFMSCDQFU-UHFFFAOYSA-N 1 0 319.149 2.161 10 0 DEAERO CC[NH+](CC)CCN[C@](C)(CO)c1cc(F)c(C)cc1F ZINC000094738224 193394243 /nfs/dbraw/zinc/39/42/43/193394243.db2.gz FKZOBZMWDWOXEB-MRXNPFEDSA-N 1 0 300.393 2.412 10 0 DEAERO O=[S@](C[C@H]1CCCC[NH2+]1)c1cccc(Br)n1 ZINC000095092395 193423262 /nfs/dbraw/zinc/42/32/62/193423262.db2.gz MMLIHXRXBDAPCP-ABKXIKBNSA-N 1 0 303.225 2.094 10 0 DEAERO CCC[C@@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)C1CCC1 ZINC000453154552 244977770 /nfs/dbraw/zinc/97/77/70/244977770.db2.gz XYOFUWUUGLVJOX-GOSISDBHSA-N 1 0 321.509 2.489 10 0 DEAERO C(CN1C[C@H]2CC[C@@H](C1)O2)[NH2+][C@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000453346885 245079889 /nfs/dbraw/zinc/07/98/89/245079889.db2.gz PAKLTMWWOQXQMW-AVEIZBFRSA-N 1 0 308.466 2.035 10 0 DEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000282457151 217010511 /nfs/dbraw/zinc/01/05/11/217010511.db2.gz STWUUPZVRRSFQH-UFBFGSQYSA-N 1 0 315.186 2.345 10 0 DEAERO O=C(Nc1nnc(-c2ccco2)s1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000264748542 204123852 /nfs/dbraw/zinc/12/38/52/204123852.db2.gz RAVUMLANBGTNJR-JTQLQIEISA-N 1 0 319.390 2.110 10 0 DEAERO COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2Cc2nc(C)ccc2O)c1 ZINC000282689015 217178149 /nfs/dbraw/zinc/17/81/49/217178149.db2.gz IVMZNUVHMIMZEA-RHSMWYFYSA-N 1 0 314.385 2.412 10 0 DEAERO C[NH2+][C@@H](Cc1nc2ccccc2s1)C[C@H]1CCS(=O)(=O)C1 ZINC000097315394 193707155 /nfs/dbraw/zinc/70/71/55/193707155.db2.gz QIJDMTGKNQIXLU-VXGBXAGGSA-N 1 0 324.471 2.252 10 0 DEAERO C[C@@]1([NH2+]C[C@@H](O)c2cccc(Br)c2)CCOC1 ZINC000161718577 197513361 /nfs/dbraw/zinc/51/33/61/197513361.db2.gz TXUTUECJXJXZOP-CHWSQXEVSA-N 1 0 300.196 2.251 10 0 DEAERO C[C@@H](CC[NH3+])CNc1ccccc1S(=O)(=O)C(F)(F)F ZINC000097441294 193720834 /nfs/dbraw/zinc/72/08/34/193720834.db2.gz DVADQYUYNGNAKD-VIFPVBQESA-N 1 0 310.341 2.377 10 0 DEAERO CO[C@@H]1CCN(c2ncc(Br)cc2C)[C@@H](C[NH3+])C1 ZINC000161243674 197478272 /nfs/dbraw/zinc/47/82/72/197478272.db2.gz VZNMMKPTJINZEZ-VXGBXAGGSA-N 1 0 314.227 2.095 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1c(F)cccc1Br ZINC000161093135 197464091 /nfs/dbraw/zinc/46/40/91/197464091.db2.gz UMZNXJVCGWZWIN-ZJUUUORDSA-N 1 0 301.159 2.198 10 0 DEAERO C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N1CCCCC1=O ZINC000530294436 284397705 /nfs/dbraw/zinc/39/77/05/284397705.db2.gz RHDGRXPGGRBWME-HNNXBMFYSA-N 1 0 323.481 2.158 10 0 DEAERO COc1ccccc1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000019770609 182144263 /nfs/dbraw/zinc/14/42/63/182144263.db2.gz HTCZRIYCXBQJQA-SFHVURJKSA-N 1 0 317.477 2.297 10 0 DEAERO CCc1cccc(CC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000153812666 291576815 /nfs/dbraw/zinc/57/68/15/291576815.db2.gz JBQOZLJNIRTQJU-HZPDHXFCSA-N 1 0 318.461 2.407 10 0 DEAERO CN(Cc1ccccc1)S(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000020188848 182195531 /nfs/dbraw/zinc/19/55/31/182195531.db2.gz SUYPXVOKCQBFEI-UHFFFAOYSA-N 1 0 308.378 2.105 10 0 DEAERO CCCOc1ccc(Cl)cc1CNCC[NH2+]C[C@H](C)O ZINC000020967798 182257098 /nfs/dbraw/zinc/25/70/98/182257098.db2.gz DXYDGACDNYAZMK-LBPRGKRZSA-N 1 0 300.830 2.189 10 0 DEAERO [NH3+]Cc1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000021516886 182277272 /nfs/dbraw/zinc/27/72/72/182277272.db2.gz KZZSNBPDUOHMNM-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO CCC[NH2+][C@@H]1CCN(S(=O)(=O)C2CCCC2)C[C@@H]1CC ZINC000097834555 193763060 /nfs/dbraw/zinc/76/30/60/193763060.db2.gz AJENIPSEXPHPOK-DZGCQCFKSA-N 1 0 302.484 2.359 10 0 DEAERO Cc1cc(C)c(NC[C@H](O)C[NH+](C)C)c(Br)c1 ZINC000159851019 197369336 /nfs/dbraw/zinc/36/93/36/197369336.db2.gz PGSMCQCXLWNVIY-NSHDSACASA-N 1 0 301.228 2.400 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000156642983 291621899 /nfs/dbraw/zinc/62/18/99/291621899.db2.gz GHOLZMXDHGGZJU-CQSZACIVSA-N 1 0 308.426 2.181 10 0 DEAERO O=C(Nc1ccc(SC2CCCC2)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037033598 182862912 /nfs/dbraw/zinc/86/29/12/182862912.db2.gz DWOSQUUYGCRDTN-DOMZBBRYSA-N 1 0 306.431 2.383 10 0 DEAERO Cc1ncsc1CCOC[C@H](O)C[NH2+]CCCC(C)C ZINC000037984778 182954276 /nfs/dbraw/zinc/95/42/76/182954276.db2.gz FZGSIBAUYSFIJZ-CQSZACIVSA-N 1 0 300.468 2.397 10 0 DEAERO CC(C)[C@H](CNC(=O)c1cc(Br)cn1C)[NH+](C)C ZINC000040430620 183065805 /nfs/dbraw/zinc/06/58/05/183065805.db2.gz FMVULNODSXWANS-LBPRGKRZSA-N 1 0 316.243 2.104 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000040634074 183111740 /nfs/dbraw/zinc/11/17/40/183111740.db2.gz CXTIHTREPYZXBF-CHWSQXEVSA-N 1 0 303.387 2.126 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)NCCOC)c1ccc(C)cc1 ZINC000040654356 183114293 /nfs/dbraw/zinc/11/42/93/183114293.db2.gz ZSXQGRGHIAVJOQ-MRXNPFEDSA-N 1 0 307.438 2.324 10 0 DEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(N)c(Cl)c(Cl)c2)C1 ZINC000040671605 183115339 /nfs/dbraw/zinc/11/53/39/183115339.db2.gz KGTFBNLGPBHYBH-SECBINFHSA-N 1 0 302.205 2.400 10 0 DEAERO CCOc1ccc([C@@H](CNC(=O)N(C)C)[NH+]2CCCC2)cc1 ZINC000040614643 183108903 /nfs/dbraw/zinc/10/89/03/183108903.db2.gz ZFVNTTDJGBOPSC-MRXNPFEDSA-N 1 0 305.422 2.493 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(Br)cc2C)C1 ZINC000040629977 183111107 /nfs/dbraw/zinc/11/11/07/183111107.db2.gz PRMDUFBJMLSABK-ZYHUDNBSSA-N 1 0 313.195 2.073 10 0 DEAERO COC(=O)c1sccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000040832905 183139276 /nfs/dbraw/zinc/13/92/76/183139276.db2.gz SNUNLUIFAKALNN-SCVCMEIPSA-N 1 0 308.403 2.394 10 0 DEAERO COC(=O)c1c(NC(=O)[C@H]([NH3+])CC(C)C)sc2c1CCC2 ZINC000040858846 183143308 /nfs/dbraw/zinc/14/33/08/183143308.db2.gz NXUIPUUQLBKEGD-SNVBAGLBSA-N 1 0 310.419 2.335 10 0 DEAERO O=C(NCc1cc(Br)ccc1F)[C@@H]1CCCC[NH2+]1 ZINC000041069508 183162309 /nfs/dbraw/zinc/16/23/09/183162309.db2.gz VXUOJKJJLCYFGL-LBPRGKRZSA-N 1 0 315.186 2.347 10 0 DEAERO CC[C@@H](CO)Nc1c2ccccc2[nH+]c(C)c1CC(=O)OC ZINC000041473227 183193411 /nfs/dbraw/zinc/19/34/11/183193411.db2.gz RVFYKUWRTJIYRH-LBPRGKRZSA-N 1 0 302.374 2.442 10 0 DEAERO COc1ccc2c(N[C@@H]3CCS(=O)(=O)C3)cc(C)[nH+]c2c1 ZINC000041474114 183194034 /nfs/dbraw/zinc/19/40/34/183194034.db2.gz LRVVSIASKGQKOI-LLVKDONJSA-N 1 0 306.387 2.151 10 0 DEAERO CCCN(CC[NH+](C)C)C(=O)C1(C(N)=S)CCCCCC1 ZINC000041680999 183215952 /nfs/dbraw/zinc/21/59/52/183215952.db2.gz VQZLNMVDCHYLMC-UHFFFAOYSA-N 1 0 313.511 2.413 10 0 DEAERO COCCCN(CCOC)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000042421003 183267925 /nfs/dbraw/zinc/26/79/25/183267925.db2.gz DXEHZPOVWSPIBF-AWEZNQCLSA-N 1 0 318.820 2.464 10 0 DEAERO CN(Cc1ccc(Br)cc1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042439858 183270097 /nfs/dbraw/zinc/27/00/97/183270097.db2.gz BPCLSKSWEGCODE-OCCSQVGLSA-N 1 0 313.239 2.245 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](CN(C)Cc2cccc(Br)c2)C1 ZINC000042440750 183270482 /nfs/dbraw/zinc/27/04/82/183270482.db2.gz XJIOQCIGRWWNLU-KBPBESRZSA-N 1 0 313.239 2.258 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](CN(C)Cc2ccc(Br)cc2)C1 ZINC000042440174 183270541 /nfs/dbraw/zinc/27/05/41/183270541.db2.gz ZJMDRRQQTKJRNZ-KGLIPLIRSA-N 1 0 313.239 2.258 10 0 DEAERO CC(C)[N@H+](CCCO)[C@H](C)C(=O)Nc1ccc(N)cc1Cl ZINC000042482889 183274989 /nfs/dbraw/zinc/27/49/89/183274989.db2.gz WZUKOEOTFJZENC-LLVKDONJSA-N 1 0 313.829 2.342 10 0 DEAERO CCN(CCOC)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042492681 183276222 /nfs/dbraw/zinc/27/62/22/183276222.db2.gz LYHSTNRBOKFMPB-JTQLQIEISA-N 1 0 307.257 2.479 10 0 DEAERO COC[C@@H](O)CN(C)c1cccc(Cl)c1C[NH2+]C(C)C ZINC000042511612 183278660 /nfs/dbraw/zinc/27/86/60/183278660.db2.gz IMMQKLBESXQFPX-LBPRGKRZSA-N 1 0 300.830 2.282 10 0 DEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042517833 183279519 /nfs/dbraw/zinc/27/95/19/183279519.db2.gz RQQSZVAUQCDZBN-GWCFXTLKSA-N 1 0 301.228 2.416 10 0 DEAERO C[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)CN1CCOCC1 ZINC000493760858 249392263 /nfs/dbraw/zinc/39/22/63/249392263.db2.gz ALYRKTKZYSEPEW-IVMQYODDSA-N 1 0 318.461 2.292 10 0 DEAERO CC(C)N(CC(F)(F)F)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000042768685 183306736 /nfs/dbraw/zinc/30/67/36/183306736.db2.gz NMQZASFOGIHYNR-UHFFFAOYSA-N 1 0 324.368 2.248 10 0 DEAERO [NH3+]Cc1cc2c(cc1OCCCOCC(F)(F)F)OCO2 ZINC000042873946 183316214 /nfs/dbraw/zinc/31/62/14/183316214.db2.gz FNUQWFSPXYRLFT-UHFFFAOYSA-N 1 0 307.268 2.222 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(F)cc1 ZINC000042944067 183319933 /nfs/dbraw/zinc/31/99/33/183319933.db2.gz ILSFYVAMNTUNGK-GXFFZTMASA-N 1 0 308.382 2.062 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CC(=O)N1CCCC1 ZINC000043015466 183327389 /nfs/dbraw/zinc/32/73/89/183327389.db2.gz AWHKBPKHLYISHS-LRDDRELGSA-N 1 0 309.841 2.283 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1F ZINC000043050382 183332516 /nfs/dbraw/zinc/33/25/16/183332516.db2.gz OUYFZBOADJREJT-GWCFXTLKSA-N 1 0 308.382 2.062 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CC(=O)NC1CC1 ZINC000043051477 183332787 /nfs/dbraw/zinc/33/27/87/183332787.db2.gz JWHIXGHNOKABNN-GDBMZVCRSA-N 1 0 309.841 2.329 10 0 DEAERO COCCN(CCOC)[C@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000043051580 183332827 /nfs/dbraw/zinc/33/28/27/183332827.db2.gz HPPARFYNWOYHMS-WFASDCNBSA-N 1 0 300.830 2.323 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCN(C(C)=O)CC1 ZINC000043050955 183332875 /nfs/dbraw/zinc/33/28/75/183332875.db2.gz UQRKHNRFPPAVAE-CVEARBPZSA-N 1 0 309.841 2.283 10 0 DEAERO [NH3+]Cc1ccccc1CS(=O)(=O)N(CC(F)(F)F)C1CC1 ZINC000042768549 183307050 /nfs/dbraw/zinc/30/70/50/183307050.db2.gz XBYVNNLMLFLBAW-UHFFFAOYSA-N 1 0 322.352 2.002 10 0 DEAERO CC(=O)N1CCCN([C@@H](c2ccccc2Cl)[C@@H](C)[NH3+])CC1 ZINC000043052848 183333013 /nfs/dbraw/zinc/33/30/13/183333013.db2.gz ZEVIAEYBQVRAGK-MLGOLLRUSA-N 1 0 309.841 2.283 10 0 DEAERO CC(C)N(CCO)[C@H](C[NH3+])c1ccccc1Br ZINC000043093284 183336917 /nfs/dbraw/zinc/33/69/17/183336917.db2.gz PAQOGXAWLQCZNU-CYBMUJFWSA-N 1 0 301.228 2.152 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1sccc1C)N1CCCC[C@@H]1C(=O)NC ZINC000043248709 183346482 /nfs/dbraw/zinc/34/64/82/183346482.db2.gz XKHAEGZQYTWBNT-MCIONIFRSA-N 1 0 309.479 2.435 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1sccc1C)N1CCC(CC(N)=O)CC1 ZINC000043248753 183346558 /nfs/dbraw/zinc/34/65/58/183346558.db2.gz MGTYBGLRYSDMCE-HIFRSBDPSA-N 1 0 309.479 2.422 10 0 DEAERO NC(=O)CN([C@H](C[NH3+])c1ccc(Cl)s1)C1CCCC1 ZINC000043253824 183348455 /nfs/dbraw/zinc/34/84/55/183348455.db2.gz CUQCYNQNCGVAHJ-SNVBAGLBSA-N 1 0 301.843 2.131 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N1CCC[C@@H]1CO ZINC000043261351 183348672 /nfs/dbraw/zinc/34/86/72/183348672.db2.gz XNMCCSBEQTVXFP-YGOYTEALSA-N 1 0 319.268 2.356 10 0 DEAERO CCCN(CCO)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000043261591 183349123 /nfs/dbraw/zinc/34/91/23/183349123.db2.gz AATUIJXUUQNLLT-SECBINFHSA-N 1 0 307.257 2.215 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cc(Br)cs1)n1cncn1 ZINC000043287836 183351442 /nfs/dbraw/zinc/35/14/42/183351442.db2.gz MZJOYSWIRIBHMQ-WPRPVWTQSA-N 1 0 301.213 2.429 10 0 DEAERO COc1ccc(Cl)c(NS(=O)(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000043318852 183354589 /nfs/dbraw/zinc/35/45/89/183354589.db2.gz XRMSHMUCGJFWLO-JTQLQIEISA-N 1 0 318.826 2.090 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1Cl ZINC000043090158 183334796 /nfs/dbraw/zinc/33/47/96/183334796.db2.gz ZKXPKFHBOABTDG-KRTXAFLBSA-N 1 0 310.810 2.186 10 0 DEAERO [NH3+]C[C@H](c1ccccc1Br)N1CCC[C@H](CO)C1 ZINC000043092156 183336055 /nfs/dbraw/zinc/33/60/55/183336055.db2.gz MHWJPZDSPYCLJU-SMDDNHRTSA-N 1 0 313.239 2.153 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1OCCOC(C)C)OCCO2 ZINC000044064602 183393193 /nfs/dbraw/zinc/39/31/93/183393193.db2.gz FJEVCALKLLXZHV-CABCVRRESA-N 1 0 301.427 2.092 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc(F)c(Br)c1)[S@@](C)=O ZINC000159809570 197366212 /nfs/dbraw/zinc/36/62/12/197366212.db2.gz MXCUFABDGUYPCP-PWJLMRLQSA-N 1 0 308.216 2.445 10 0 DEAERO Cc1nccc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000284479584 218045883 /nfs/dbraw/zinc/04/58/83/218045883.db2.gz AISHQGWPNGOPKS-WMLDXEAASA-N 1 0 314.437 2.038 10 0 DEAERO O=C(NCCc1cccc(F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105091533 194071594 /nfs/dbraw/zinc/07/15/94/194071594.db2.gz FTFZRIWKEJRNKW-MRXNPFEDSA-N 1 0 305.397 2.248 10 0 DEAERO C[N@@H+]1CCCN(C(=O)c2ccc(-n3cccc3)c(F)c2)CC1 ZINC000105317762 194096862 /nfs/dbraw/zinc/09/68/62/194096862.db2.gz LTULUODLJZOOKY-UHFFFAOYSA-N 1 0 301.365 2.394 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000105897515 194162717 /nfs/dbraw/zinc/16/27/17/194162717.db2.gz BHUNLIQZQINFGQ-INIZCTEOSA-N 1 0 312.417 2.382 10 0 DEAERO Cc1ccc2oc(N3CC[NH+](CCCCCO)CC3)nc2c1 ZINC000105911533 194169091 /nfs/dbraw/zinc/16/90/91/194169091.db2.gz JBUAJSDAZWCPSV-UHFFFAOYSA-N 1 0 303.406 2.421 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C1 ZINC000105922627 194170866 /nfs/dbraw/zinc/17/08/66/194170866.db2.gz RUEUPRMCKCYMDT-HOTGVXAUSA-N 1 0 318.465 2.483 10 0 DEAERO COCC[N@@H+]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000106108470 194185584 /nfs/dbraw/zinc/18/55/84/194185584.db2.gz IMMWLUXKSYZMBZ-MRXNPFEDSA-N 1 0 314.433 2.025 10 0 DEAERO CC(C)Oc1ccccc1C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000106379661 194203980 /nfs/dbraw/zinc/20/39/80/194203980.db2.gz JPUJPCGIUQUJLP-KRWDZBQOSA-N 1 0 304.434 2.427 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCOc1ccccc1 ZINC000106426239 194211781 /nfs/dbraw/zinc/21/17/81/194211781.db2.gz JMNOSTYHJDFZLQ-GOSISDBHSA-N 1 0 312.413 2.355 10 0 DEAERO COc1cccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106425724 194212307 /nfs/dbraw/zinc/21/23/07/194212307.db2.gz LPECYDMNKGIZJJ-GOSISDBHSA-N 1 0 312.413 2.484 10 0 DEAERO C[NH+]1CCN(c2ccnc(-c3noc(-c4ccoc4)n3)c2)CC1 ZINC000273746852 211023637 /nfs/dbraw/zinc/02/36/37/211023637.db2.gz BVFSFTLUPIJDOT-UHFFFAOYSA-N 1 0 311.345 2.143 10 0 DEAERO C[C@@H]1CN(Cc2ccc(Br)c(N)c2)C[C@@H]1[NH+](C)C ZINC000159371624 197348367 /nfs/dbraw/zinc/34/83/67/197348367.db2.gz HERHIOLMDUAINY-YGRLFVJLSA-N 1 0 312.255 2.413 10 0 DEAERO Cc1cc(C)c(CN2CC[NH+]([C@@H](C)C(N)=S)CC2)c(C)c1 ZINC000109468477 194266830 /nfs/dbraw/zinc/26/68/30/194266830.db2.gz RBNCWIVTHHAVCF-HNNXBMFYSA-N 1 0 305.491 2.404 10 0 DEAERO CCC[C@H](C(N)=S)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000109471630 194267604 /nfs/dbraw/zinc/26/76/04/194267604.db2.gz DVZBJVUUYYCJJT-GFCCVEGCSA-N 1 0 312.870 2.312 10 0 DEAERO C[NH2+]Cc1cnc(-n2nnc(-c3ccccc3)n2)c(Cl)c1 ZINC000051488919 183828095 /nfs/dbraw/zinc/82/80/95/183828095.db2.gz XNXDBZGDVQQFJQ-UHFFFAOYSA-N 1 0 300.753 2.097 10 0 DEAERO CC(C)C[NH2+]C[C@H]1CC[C@@H](Cn2cc(Br)cn2)O1 ZINC000052577585 183865461 /nfs/dbraw/zinc/86/54/61/183865461.db2.gz SJNSKODFTXBZFG-OLZOCXBDSA-N 1 0 316.243 2.439 10 0 DEAERO CCCCOCC[C@H](C[NH2+]CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000052951141 183881651 /nfs/dbraw/zinc/88/16/51/183881651.db2.gz IYMODQOTYPDOQC-HUUCEWRRSA-N 1 0 305.484 2.244 10 0 DEAERO C[C@H]([NH2+]C(C)(C)CO)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551029 194337693 /nfs/dbraw/zinc/33/76/93/194337693.db2.gz SKVCLJQTYBJODT-QWHCGFSZSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H]1CN(c2ccc(C(N)=S)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000110755761 194356468 /nfs/dbraw/zinc/35/64/68/194356468.db2.gz LAEKDEWLMDWPSY-VIFPVBQESA-N 1 0 317.380 2.480 10 0 DEAERO O=S(=O)(c1ccc(NCC[C@H]2CCC[NH2+]C2)cc1)C(F)F ZINC000110793353 194359048 /nfs/dbraw/zinc/35/90/48/194359048.db2.gz QMSYTIBKSKQJMF-LLVKDONJSA-N 1 0 318.389 2.485 10 0 DEAERO COC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308818 183933824 /nfs/dbraw/zinc/93/38/24/183933824.db2.gz ZPACDUIIIILMNM-NSHDSACASA-N 1 0 310.419 2.480 10 0 DEAERO C[C@H](C[NH3+])C(=O)Nc1cc(Br)ccc1N(C)C ZINC000054339669 183935165 /nfs/dbraw/zinc/93/51/65/183935165.db2.gz DJVMPKMGPHZBAJ-MRVPVSSYSA-N 1 0 300.200 2.048 10 0 DEAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(CC)cc1 ZINC000110942371 194371765 /nfs/dbraw/zinc/37/17/65/194371765.db2.gz PXFMEOICRVCNJX-OAHLLOKOSA-N 1 0 310.463 2.402 10 0 DEAERO CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1C ZINC000110941363 194372041 /nfs/dbraw/zinc/37/20/41/194372041.db2.gz VTLQBPGXZRHDOS-ZDUSSCGKSA-N 1 0 316.854 2.411 10 0 DEAERO Cc1ccc(OCC2(O)CC[NH2+]CC2)c(Br)c1 ZINC000156581168 197124287 /nfs/dbraw/zinc/12/42/87/197124287.db2.gz UYBGTKPYHLSCBS-UHFFFAOYSA-N 1 0 300.196 2.251 10 0 DEAERO CCOCCOCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000110975818 194376390 /nfs/dbraw/zinc/37/63/90/194376390.db2.gz SJMQORJGSRRGRG-OAHLLOKOSA-N 1 0 314.470 2.056 10 0 DEAERO CCOCCOCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000110975821 194377069 /nfs/dbraw/zinc/37/70/69/194377069.db2.gz SJMQORJGSRRGRG-HNNXBMFYSA-N 1 0 314.470 2.056 10 0 DEAERO CCC[NH2+][C@](C)(CCCC[N@H+](CC)CCOCC)C(=O)[O-] ZINC000111121726 194391806 /nfs/dbraw/zinc/39/18/06/194391806.db2.gz RDSPXXUXZMZNEG-MRXNPFEDSA-N 1 0 302.459 2.358 10 0 DEAERO C[C@H](C(=O)Nc1cc(Cl)ccc1N)N(C)CCC[NH+](C)C ZINC000111131350 194392991 /nfs/dbraw/zinc/39/29/91/194392991.db2.gz PIVLNNDEIFOWDZ-LLVKDONJSA-N 1 0 312.845 2.133 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Cc1sc(=S)[nH]c1C ZINC000057308585 184033072 /nfs/dbraw/zinc/03/30/72/184033072.db2.gz JUJZHVRERGSMPB-SECBINFHSA-N 1 0 301.481 2.129 10 0 DEAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)Nc1cc(F)c(F)cc1F ZINC000061094603 184161742 /nfs/dbraw/zinc/16/17/42/184161742.db2.gz QVKLJJZYJZSZNW-VIFPVBQESA-N 1 0 322.352 2.378 10 0 DEAERO O=S(=O)(CC[C@H]1CCCC[NH2+]1)Nc1cc(F)c(F)cc1F ZINC000061094604 184161855 /nfs/dbraw/zinc/16/18/55/184161855.db2.gz QVKLJJZYJZSZNW-SECBINFHSA-N 1 0 322.352 2.378 10 0 DEAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)Nc1cc(F)cc(F)c1F ZINC000061120347 184162271 /nfs/dbraw/zinc/16/22/71/184162271.db2.gz GHXXJHVLNHVGBV-JTQLQIEISA-N 1 0 322.352 2.378 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)Nc1cc(F)cc(F)c1F ZINC000061120932 184162682 /nfs/dbraw/zinc/16/26/82/184162682.db2.gz OCEPBZASUXWPME-UHFFFAOYSA-N 1 0 310.341 2.234 10 0 DEAERO CC(C)Oc1nc(Cl)nc(N[C@@H](C[NH+](C)C)C(C)C)n1 ZINC000061539288 184173665 /nfs/dbraw/zinc/17/36/65/184173665.db2.gz IVOVGSGHQOQRPN-JTQLQIEISA-N 1 0 301.822 2.310 10 0 DEAERO COc1ccc(NS(=O)(=O)c2cccc(C[NH3+])c2)c(C)c1 ZINC000061567681 184174897 /nfs/dbraw/zinc/17/48/97/184174897.db2.gz BYXGZMGLCBFSAT-UHFFFAOYSA-N 1 0 306.387 2.263 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)cn2)C1 ZINC000061874295 184191104 /nfs/dbraw/zinc/19/11/04/184191104.db2.gz GTCUCXIMHJGHOB-NSHDSACASA-N 1 0 312.211 2.058 10 0 DEAERO [NH3+]C[C@H](Sc1n[nH]c(=O)n1C1CC1)c1cccc(Cl)c1 ZINC000061594581 184175939 /nfs/dbraw/zinc/17/59/39/184175939.db2.gz RJEIRCCOPKBEGC-NSHDSACASA-N 1 0 310.810 2.352 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1F ZINC000061594689 184176050 /nfs/dbraw/zinc/17/60/50/184176050.db2.gz WGLULPMJWCZIAH-PRHODGIISA-N 1 0 308.382 2.226 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1ccc(C)cc1 ZINC000061594186 184176256 /nfs/dbraw/zinc/17/62/56/184176256.db2.gz MWCQRFZWDSTLRZ-STQMWFEESA-N 1 0 306.435 2.470 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C(C)C)c1ccncc1 ZINC000061595087 184176513 /nfs/dbraw/zinc/17/65/13/184176513.db2.gz ALXQJRVPYJZCLA-NWDGAFQWSA-N 1 0 307.423 2.118 10 0 DEAERO CCNc1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc(Cl)n1 ZINC000061656051 184181360 /nfs/dbraw/zinc/18/13/60/184181360.db2.gz CJUGZNSINQBDCV-GFCCVEGCSA-N 1 0 310.829 2.333 10 0 DEAERO CC[NH2+]Cc1cc(Cl)c(O[C@@H](CC)C(N)=O)c(OC)c1 ZINC000061675676 184181660 /nfs/dbraw/zinc/18/16/60/184181660.db2.gz RUKICYIDDSHCLP-NSHDSACASA-N 1 0 300.786 2.101 10 0 DEAERO CCc1ccc(S(=O)(=O)NCc2ccccc2C[NH3+])s1 ZINC000061841256 184189412 /nfs/dbraw/zinc/18/94/12/184189412.db2.gz HLLJVWQRBCWHCZ-UHFFFAOYSA-N 1 0 310.444 2.248 10 0 DEAERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)c(N)c2)CCCO1 ZINC000061912867 184195383 /nfs/dbraw/zinc/19/53/83/184195383.db2.gz YXYCVLXXSDXXBC-NSHDSACASA-N 1 0 311.813 2.362 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCN(CC(F)(F)F)CC1 ZINC000061940810 184197359 /nfs/dbraw/zinc/19/73/59/184197359.db2.gz XIHDFPNLJCJDIR-AAEUAGOBSA-N 1 0 305.344 2.238 10 0 DEAERO C[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014403 184201284 /nfs/dbraw/zinc/20/12/84/184201284.db2.gz FXQHRAWUVCPMFK-ZDUSSCGKSA-N 1 0 309.841 2.155 10 0 DEAERO C[C@H](CN1C(=S)N=NC1c1cccnc1)C[NH+]1CCCC1 ZINC000062079529 184204457 /nfs/dbraw/zinc/20/44/57/184204457.db2.gz DGTJDCNCNPMVBD-LBPRGKRZSA-N 1 0 303.435 2.361 10 0 DEAERO O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000062116139 184206346 /nfs/dbraw/zinc/20/63/46/184206346.db2.gz NPKBOLXWRRDNED-JTQLQIEISA-N 1 0 307.781 2.015 10 0 DEAERO COc1cc(Br)cc(C)c1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062114367 184206363 /nfs/dbraw/zinc/20/63/63/184206363.db2.gz UODZECLYQRAINS-SECBINFHSA-N 1 0 313.195 2.314 10 0 DEAERO Brc1ccccc1Cc1noc([C@H]2CC[NH2+]C2)n1 ZINC000062119915 184206839 /nfs/dbraw/zinc/20/68/39/184206839.db2.gz YJQLEOZSFDSZPG-JTQLQIEISA-N 1 0 308.179 2.500 10 0 DEAERO C[C@@H](Cc1ccccc1)NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000062190110 184218016 /nfs/dbraw/zinc/21/80/16/184218016.db2.gz LWRVXLOOGZPHDU-HOCLYGCPSA-N 1 0 310.463 2.069 10 0 DEAERO CC(C)CN1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc(Br)o1 ZINC000062209884 184220374 /nfs/dbraw/zinc/22/03/74/184220374.db2.gz RAHUNXUMXRYVGE-QPUJVOFHSA-N 1 0 301.184 2.299 10 0 DEAERO CC[NH2+][C@H](c1cc(F)c(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000062706589 184248817 /nfs/dbraw/zinc/24/88/17/184248817.db2.gz JKSPIBOJCFZYAP-SDBXPKJASA-N 1 0 307.337 2.189 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)c(OCCCCO)c(OC)c1 ZINC000062727899 184250483 /nfs/dbraw/zinc/25/04/83/184250483.db2.gz AJLICHFIPZIHIQ-UHFFFAOYSA-N 1 0 317.813 2.236 10 0 DEAERO CCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1C[NH2+]CCOC ZINC000062731120 184251235 /nfs/dbraw/zinc/25/12/35/184251235.db2.gz BCIBVADGXANBRI-LLVKDONJSA-N 1 0 315.797 2.406 10 0 DEAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062854822 184256501 /nfs/dbraw/zinc/25/65/01/184256501.db2.gz JUFZZNCGRHFMRV-HNNXBMFYSA-N 1 0 310.781 2.455 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062900381 184258891 /nfs/dbraw/zinc/25/88/91/184258891.db2.gz GRFQYSFQAPAJGA-HNNXBMFYSA-N 1 0 310.419 2.480 10 0 DEAERO CCOC(=O)[C@@H](C)Oc1ccc(C[NH2+]C)cc1Br ZINC000062700756 184247456 /nfs/dbraw/zinc/24/74/56/184247456.db2.gz OXGOPBMGSYZKKU-SECBINFHSA-N 1 0 316.195 2.499 10 0 DEAERO Cn1cc(Br)cc1C(=O)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063211066 184278536 /nfs/dbraw/zinc/27/85/36/184278536.db2.gz WEQVZVMUWXPELJ-GHMZBOCLSA-N 1 0 314.227 2.177 10 0 DEAERO NC(=S)c1ccc(F)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062980099 184264071 /nfs/dbraw/zinc/26/40/71/184264071.db2.gz LNMFOQGPGLUSPV-CQSZACIVSA-N 1 0 307.438 2.130 10 0 DEAERO CNc1ccc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000062984931 184264760 /nfs/dbraw/zinc/26/47/60/184264760.db2.gz SAYHTKHELVOFAD-LLVKDONJSA-N 1 0 308.813 2.087 10 0 DEAERO Nc1ccc(Cl)c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000062984970 184265131 /nfs/dbraw/zinc/26/51/31/184265131.db2.gz QONWCVYJYLRTML-NSHDSACASA-N 1 0 308.813 2.018 10 0 DEAERO CC[NH2+]Cc1cc(Cl)ccc1OCCCS(C)(=O)=O ZINC000063014321 184266497 /nfs/dbraw/zinc/26/64/97/184266497.db2.gz LEBCWDCTSQLAKU-UHFFFAOYSA-N 1 0 305.827 2.263 10 0 DEAERO CS(=O)(=O)CCCOc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000063014406 184266586 /nfs/dbraw/zinc/26/65/86/184266586.db2.gz BSTRZSXIPHCKKP-UHFFFAOYSA-N 1 0 312.218 2.266 10 0 DEAERO COc1cc([C@H]([NH3+])CCCS(C)(=O)=O)cc(Cl)c1OC ZINC000063017046 184266864 /nfs/dbraw/zinc/26/68/64/184266864.db2.gz YBVOBWRFZUHNHY-LLVKDONJSA-N 1 0 321.826 2.182 10 0 DEAERO COc1ccc(Br)c(C(=O)N[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000063172394 184276054 /nfs/dbraw/zinc/27/60/54/184276054.db2.gz PJMUACKHWNRXIO-RYUDHWBXSA-N 1 0 313.195 2.067 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1Br ZINC000063174175 184276134 /nfs/dbraw/zinc/27/61/34/184276134.db2.gz SEOLCUFNXVZXGK-GHMZBOCLSA-N 1 0 301.159 2.198 10 0 DEAERO CCn1cc(C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)cn1 ZINC000065288638 184323517 /nfs/dbraw/zinc/32/35/17/184323517.db2.gz HXSVPLPSYVLLPU-QGZVFWFLSA-N 1 0 300.406 2.244 10 0 DEAERO Cc1oc2ccccc2c1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000185420920 207366752 /nfs/dbraw/zinc/36/67/52/207366752.db2.gz BVWOTCPMZIBVJI-ZDUSSCGKSA-N 1 0 315.417 2.107 10 0 DEAERO COC(=O)c1ccc(NC[C@@H](CC(C)C)[NH+](C)C)nc1OC ZINC000185699172 207367775 /nfs/dbraw/zinc/36/77/75/207367775.db2.gz BTMNQIPIKNRDRD-GFCCVEGCSA-N 1 0 309.410 2.265 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(F)cc1F ZINC000113271843 194577122 /nfs/dbraw/zinc/57/71/22/194577122.db2.gz HZGBDRPQLCLHNZ-DGCLKSJQSA-N 1 0 309.360 2.072 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccn(-c2ccccc2F)n1 ZINC000537214187 284987314 /nfs/dbraw/zinc/98/73/14/284987314.db2.gz PUZZHHVZLPBRHT-UHFFFAOYSA-N 1 0 304.369 2.035 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000246277805 285023761 /nfs/dbraw/zinc/02/37/61/285023761.db2.gz WNUXLICGJAWUCJ-SOUVJXGZSA-N 1 0 311.470 2.221 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)NCC3=CC[N@H+](C)CC3)cc2)c1 ZINC000538348650 285032610 /nfs/dbraw/zinc/03/26/10/285032610.db2.gz CPECHLOQXAFSCS-UHFFFAOYSA-N 1 0 310.401 2.172 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000119738710 195028773 /nfs/dbraw/zinc/02/87/73/195028773.db2.gz YBWISXNQGNOUCZ-GDBMZVCRSA-N 1 0 317.433 2.122 10 0 DEAERO CC(C)(C)[C@@H](NC(=O)NCCNc1cc[nH+]cc1)C(F)(F)F ZINC000556723549 291834312 /nfs/dbraw/zinc/83/43/12/291834312.db2.gz VVYKNTLDZJSFFW-LLVKDONJSA-N 1 0 318.343 2.192 10 0 DEAERO C[C@H](CC(=O)N(C)CCC[NH+](C)C)C(=O)c1cccc(F)c1 ZINC000539416504 285076857 /nfs/dbraw/zinc/07/68/57/285076857.db2.gz RKNCHNRSFJPXHP-CYBMUJFWSA-N 1 0 308.397 2.445 10 0 DEAERO C[C@]1([NH2+]C[C@H](O)COC[C@@H]2CCCO2)CCCc2ccccc21 ZINC000539807378 285093139 /nfs/dbraw/zinc/09/31/39/285093139.db2.gz UUGSCWSILHDPDH-LNLFQRSKSA-N 1 0 319.445 2.384 10 0 DEAERO C[NH2+][C@@H](CSc1nc2cc(OC)ccc2[nH]1)[C@H]1CCOC1 ZINC000159261644 197340094 /nfs/dbraw/zinc/34/00/94/197340094.db2.gz RVMTULSUOLUMPM-HZMBPMFUSA-N 1 0 307.419 2.288 10 0 DEAERO CCc1nn(C)c(Cl)c1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000159219166 197337010 /nfs/dbraw/zinc/33/70/10/197337010.db2.gz NCBQJQRQZCZWLB-NSHDSACASA-N 1 0 314.861 2.342 10 0 DEAERO [NH3+][C@H](C[S@@](=O)c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000159163035 197332492 /nfs/dbraw/zinc/33/24/92/197332492.db2.gz SFDQGHAWAOJNHO-SZNDQCEHSA-N 1 0 309.431 2.473 10 0 DEAERO CCCOc1nc(Nc2cc(Cl)ccc2F)nc(NN)[nH+]1 ZINC000159120011 197328931 /nfs/dbraw/zinc/32/89/31/197328931.db2.gz XFLJVFSQDKWBBE-UHFFFAOYSA-N 1 0 312.736 2.482 10 0 DEAERO CC(C)NS(=O)(=O)c1ccc(F)c(C[NH2+]C(C)(C)C)c1 ZINC000159080452 197325609 /nfs/dbraw/zinc/32/56/09/197325609.db2.gz FRTZHAUNSKJLEK-UHFFFAOYSA-N 1 0 302.415 2.401 10 0 DEAERO CC[C@@H]1CCCN1S(=O)(=O)c1cc(C)c(F)c(C[NH2+]C)c1 ZINC000159075198 197324540 /nfs/dbraw/zinc/32/45/40/197324540.db2.gz VDRYRSKXVSHVKL-CYBMUJFWSA-N 1 0 314.426 2.417 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc(C[NH3+])c1F ZINC000159055655 197323056 /nfs/dbraw/zinc/32/30/56/197323056.db2.gz DPVOVKQQVMAVLZ-QWRGUYRKSA-N 1 0 314.426 2.259 10 0 DEAERO CC[NH2+][C@H](C[S@@](=O)c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000158931034 197312039 /nfs/dbraw/zinc/31/20/39/197312039.db2.gz KJLYFVSCDYYJEP-LCCAYYTGSA-N 1 0 301.839 2.462 10 0 DEAERO CC[S@@](=O)c1ccccc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000159002697 197317781 /nfs/dbraw/zinc/31/77/81/197317781.db2.gz WFKLNDXCIIWQBO-IEROGBPDSA-N 1 0 322.474 2.273 10 0 DEAERO O[C@@H](CNc1c(F)c(F)c(F)c(F)c1F)C[NH+]1CCCC1 ZINC000158882484 197308000 /nfs/dbraw/zinc/30/80/00/197308000.db2.gz MCUVQSFOXRGKEL-ZETCQYMHSA-N 1 0 310.266 2.251 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)c1cc(C)ccc1C)[C@@H]1CCOC1 ZINC000158734149 197297009 /nfs/dbraw/zinc/29/70/09/197297009.db2.gz BCPRLACFAZLSEP-HUUCEWRRSA-N 1 0 311.447 2.092 10 0 DEAERO COc1cccc(C2=CC[N@@H+]([C@@H]3CCCN(C)C3=O)CC2)c1 ZINC000540911767 285137114 /nfs/dbraw/zinc/13/71/14/285137114.db2.gz LFQFWRMNQKZFTP-QGZVFWFLSA-N 1 0 300.402 2.405 10 0 DEAERO Cc1c(C(F)(F)F)cccc1S(=O)(=O)NCC(C)(C)C[NH3+] ZINC000158358509 197265011 /nfs/dbraw/zinc/26/50/11/197265011.db2.gz XBJRZACHUPJSED-UHFFFAOYSA-N 1 0 324.368 2.277 10 0 DEAERO CC[NH2+]Cc1cc(Br)cnc1N(C)CCOCC ZINC000158338029 197263099 /nfs/dbraw/zinc/26/30/99/197263099.db2.gz TXKCJSXVUBVTAG-UHFFFAOYSA-N 1 0 316.243 2.426 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2nc(C)sc2C)[C@H](C)C1 ZINC000158421158 197271244 /nfs/dbraw/zinc/27/12/44/197271244.db2.gz FFNJDDROWCRHNA-ABAIWWIYSA-N 1 0 309.479 2.491 10 0 DEAERO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000120280756 195134300 /nfs/dbraw/zinc/13/43/00/195134300.db2.gz SBQBGZJGNSDIHL-CABCVRRESA-N 1 0 322.405 2.116 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccccc2F)CC1 ZINC000158136622 197246802 /nfs/dbraw/zinc/24/68/02/197246802.db2.gz IAQLOCZENWBNMR-UHFFFAOYSA-N 1 0 321.396 2.001 10 0 DEAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnccc2N(C)C)C1 ZINC000183534091 296386635 /nfs/dbraw/zinc/38/66/35/296386635.db2.gz YLBPUBRAMHQIPS-CQSZACIVSA-N 1 0 318.465 2.388 10 0 DEAERO C[NH+](C)CCSCc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000157936640 197228383 /nfs/dbraw/zinc/22/83/83/197228383.db2.gz NLXKYKAPBDNJJJ-UHFFFAOYSA-N 1 0 309.460 2.268 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1[C@H](O)C1(C)CC1 ZINC000157817761 197218027 /nfs/dbraw/zinc/21/80/27/197218027.db2.gz XVTNYVXCHPYXMW-NSHDSACASA-N 1 0 302.216 2.041 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1OC(F)F ZINC000157683749 197208140 /nfs/dbraw/zinc/20/81/40/197208140.db2.gz SVEYYBYAEQXDLA-KCJUWKMLSA-N 1 0 302.296 2.284 10 0 DEAERO Cn1ncc(Br)c1[C@H](O)C(C)(C)[NH+]1CCCC1 ZINC000157596314 197201103 /nfs/dbraw/zinc/20/11/03/197201103.db2.gz RMOZSEOGJOVCAA-NSHDSACASA-N 1 0 302.216 2.090 10 0 DEAERO Cc1cnc(CC[N@@H+](C)C[C@@H](O)COc2ccccc2)s1 ZINC000157495339 197192231 /nfs/dbraw/zinc/19/22/31/197192231.db2.gz IMVQZVJPEMRXFF-CQSZACIVSA-N 1 0 306.431 2.366 10 0 DEAERO CCOCCN(C)S(=O)(=O)c1cccc([C@H](CC)[NH2+]C)c1 ZINC000157292241 197177375 /nfs/dbraw/zinc/17/73/75/197177375.db2.gz KXTDLVLCKDHENM-HNNXBMFYSA-N 1 0 314.451 2.014 10 0 DEAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000157126828 197164176 /nfs/dbraw/zinc/16/41/76/197164176.db2.gz CANHISNYYRGEJK-SLEUVZQESA-N 1 0 321.396 2.443 10 0 DEAERO Cc1ccc(C[C@H](C)[N@H+](C)CC(=O)NC(=O)NC(C)(C)C)cc1 ZINC000156859209 197145398 /nfs/dbraw/zinc/14/53/98/197145398.db2.gz WFEHHKUPHGEPKB-AWEZNQCLSA-N 1 0 319.449 2.482 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)Cc1c(C)noc1C ZINC000156283465 197101031 /nfs/dbraw/zinc/10/10/31/197101031.db2.gz NYYIPMOXPDLEPX-VXGBXAGGSA-N 1 0 310.442 2.252 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1C[NH3+])[S@@](=O)CC1CCCC1 ZINC000156070504 197084215 /nfs/dbraw/zinc/08/42/15/197084215.db2.gz BJIVVGBUJPHTCF-LAJNKCICSA-N 1 0 308.447 2.411 10 0 DEAERO C[C@@H]1CN(C(=O)c2cccc(F)c2Br)CC[C@@H]1[NH3+] ZINC000156014681 197080961 /nfs/dbraw/zinc/08/09/61/197080961.db2.gz NDHQOAFRMSJEGA-KCJUWKMLSA-N 1 0 315.186 2.398 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1N[C@@](C)(C[NH3+])C(C)C ZINC000155989614 197079450 /nfs/dbraw/zinc/07/94/50/197079450.db2.gz UJAMXYYKPJXSGQ-HNNXBMFYSA-N 1 0 313.467 2.159 10 0 DEAERO COc1cc(C)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1OC ZINC000155630132 197074006 /nfs/dbraw/zinc/07/40/06/197074006.db2.gz VGYGNBJJQPAJKG-ZFWWWQNUSA-N 1 0 320.433 2.471 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155611393 197072319 /nfs/dbraw/zinc/07/23/19/197072319.db2.gz BDYDCPCTCDPJEV-KBPBESRZSA-N 1 0 320.481 2.249 10 0 DEAERO CC[NH+](CC)[C@H](CN1C(=S)N=NC1CO)c1ccccc1 ZINC000155590042 197069035 /nfs/dbraw/zinc/06/90/35/197069035.db2.gz KEQIJUHEXGHQFH-CYBMUJFWSA-N 1 0 306.435 2.142 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(Br)c[nH]2)[C@@H](C)C1 ZINC000155404985 197051779 /nfs/dbraw/zinc/05/17/79/197051779.db2.gz YDZNXITUJVPSNH-CABZTGNLSA-N 1 0 314.227 2.236 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H](O)c1ccsc1 ZINC000155387194 197050167 /nfs/dbraw/zinc/05/01/67/197050167.db2.gz HZLIWBCCSSRYLI-CVEARBPZSA-N 1 0 318.442 2.071 10 0 DEAERO CCOc1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1OC ZINC000155338673 197044805 /nfs/dbraw/zinc/04/48/05/197044805.db2.gz ODGKNEPXNJIEQV-CHWSQXEVSA-N 1 0 306.406 2.259 10 0 DEAERO C[S@@](=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000155131496 197025304 /nfs/dbraw/zinc/02/53/04/197025304.db2.gz NIDRPNHOMOGSIC-AOMKIAJQSA-N 1 0 314.410 2.077 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000542741465 285246423 /nfs/dbraw/zinc/24/64/23/285246423.db2.gz YRRSGKQVDLSEGW-CYBMUJFWSA-N 1 0 311.813 2.367 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000542741468 285246484 /nfs/dbraw/zinc/24/64/84/285246484.db2.gz YRRSGKQVDLSEGW-ZDUSSCGKSA-N 1 0 311.813 2.367 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000121261657 285268074 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DEAERO C1CC1c1nnsc1-c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000290001906 221371671 /nfs/dbraw/zinc/37/16/71/221371671.db2.gz ZVISMKWVEWSWLD-NXEZZACHSA-N 1 0 319.390 2.001 10 0 DEAERO CC(C)C(=O)NC[C@@H]1CO[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]12 ZINC000248178424 257107245 /nfs/dbraw/zinc/10/72/45/257107245.db2.gz XDZPSEGOWDFIBO-PVAVHDDUSA-N 1 0 320.408 2.045 10 0 DEAERO Cc1cccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CC2CCOCC2)n1 ZINC000248105739 257108943 /nfs/dbraw/zinc/10/89/43/257108943.db2.gz PBPHJZXWJFLJOW-SJORKVTESA-N 1 0 301.434 2.470 10 0 DEAERO Cc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cccn2C)n1 ZINC000248110880 257109986 /nfs/dbraw/zinc/10/99/86/257109986.db2.gz HGJTUXVJSSGPCD-SJORKVTESA-N 1 0 324.428 2.218 10 0 DEAERO CN(C)C(=O)COC[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000248061875 257110589 /nfs/dbraw/zinc/11/05/89/257110589.db2.gz ZCOQRDYAFWJEFO-PKOBYXMFSA-N 1 0 316.445 2.394 10 0 DEAERO CCC[N@@H+]1CC[C@@H]2C[C@@H](C(=O)Nc3cccnc3C)O[C@H]2C1 ZINC000247926775 257114615 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CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(F)c(C)cc1F ZINC000121913697 195373344 /nfs/dbraw/zinc/37/33/44/195373344.db2.gz ZGYQSRSWUJMVAS-LLVKDONJSA-N 1 0 320.405 2.282 10 0 DEAERO CC[C@H]1N[C@H](c2ccsc2)N(CC2CC[NH+](C)CC2)C1=O ZINC000122021555 195390964 /nfs/dbraw/zinc/39/09/64/195390964.db2.gz JECWMPIWDILXGM-CABCVRRESA-N 1 0 307.463 2.299 10 0 DEAERO CCc1nn(CC)c(CC(=O)C[C@@H](C)C[NH3+])c1Br ZINC000122119209 195404212 /nfs/dbraw/zinc/40/42/12/195404212.db2.gz XIFGVWBSBNWTMH-SECBINFHSA-N 1 0 316.243 2.324 10 0 DEAERO Cc1nc(N(C)Cc2cccc(Br)c2)cc(NN)[nH+]1 ZINC000122858782 195512112 /nfs/dbraw/zinc/51/21/12/195512112.db2.gz PLZOVLNGCZHFPT-UHFFFAOYSA-N 1 0 322.210 2.470 10 0 DEAERO CC(C)[NH2+][C@@](C)(CCCOc1c(F)cccc1F)C(N)=O ZINC000123628562 195595182 /nfs/dbraw/zinc/59/51/82/195595182.db2.gz LQRCHYABKLCMFL-HNNXBMFYSA-N 1 0 300.349 2.366 10 0 DEAERO CN(C)CC[NH2+]CCOCc1ccccc1Br ZINC000124835179 195684236 /nfs/dbraw/zinc/68/42/36/195684236.db2.gz KPZXUUCGZXGYKM-UHFFFAOYSA-N 1 0 301.228 2.117 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000545150665 285392153 /nfs/dbraw/zinc/39/21/53/285392153.db2.gz OESDEAHRYHJLLO-XHSDSOJGSA-N 1 0 321.465 2.141 10 0 DEAERO COC(=O)CCn1nc(C)c(C[NH2+]C[C@H]2CCC(C)(C)O2)c1C ZINC000190254556 533465474 /nfs/dbraw/zinc/46/54/74/533465474.db2.gz PLSUYDVVOAELKH-CQSZACIVSA-N 1 0 323.437 2.110 10 0 DEAERO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)C2 ZINC000262023965 285508551 /nfs/dbraw/zinc/50/85/51/285508551.db2.gz WVESWYUBVQJQQB-MANSERQUSA-N 1 0 300.446 2.291 10 0 DEAERO O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195252078 132546146 /nfs/dbraw/zinc/54/61/46/132546146.db2.gz YWQSQGMXIXVOJN-MYZSUADSSA-N 1 0 324.346 2.487 10 0 DEAERO CC(C)CC(=O)Nc1ncc(CN2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725273008 542770976 /nfs/dbraw/zinc/77/09/76/542770976.db2.gz XDKQFWKXAYEYBX-YPMHNXCESA-N 1 0 310.467 2.297 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NCC(C)(C)CCCO)CC1 ZINC000357591471 133087028 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CC[NH+]1CCC(CCNC(=O)N2CC(C)(C)OC[C@H]2C)CC1 ZINC000362843259 133254545 /nfs/dbraw/zinc/25/45/45/133254545.db2.gz OYUHZVQAVRFYNG-CQSZACIVSA-N 1 0 311.470 2.317 10 0 DEAERO c1nc2c([nH]1)C[C@H]([NH2+]Cc1cnc([C@H]3CCCO3)s1)CC2 ZINC000368258169 133266538 /nfs/dbraw/zinc/26/65/38/133266538.db2.gz IYHMZRVRQWUCRA-QMTHXVAHSA-N 1 0 304.419 2.365 10 0 DEAERO CC[NH2+]CCCN1C(=O)COc2ccc(Br)cc21 ZINC000042410313 134730154 /nfs/dbraw/zinc/73/01/54/134730154.db2.gz CTYCUZSMODUFFX-UHFFFAOYSA-N 1 0 313.195 2.174 10 0 DEAERO NC(=O)c1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000063201346 134813805 /nfs/dbraw/zinc/81/38/05/134813805.db2.gz GZBUJTMHLAFCRB-HNNXBMFYSA-N 1 0 307.825 2.407 10 0 DEAERO Cc1nc(C)c(C[NH2+]Cc2cccc(N3CCOCC3)n2)s1 ZINC000547506109 285593625 /nfs/dbraw/zinc/59/36/25/285593625.db2.gz WXVUDUHOVADMGH-UHFFFAOYSA-N 1 0 318.446 2.281 10 0 DEAERO [NH3+]C1(C(=O)NCc2c(Cl)cccc2Cl)CCOCC1 ZINC000564320424 292091218 /nfs/dbraw/zinc/09/12/18/292091218.db2.gz FBJSNZZMZFXYNF-UHFFFAOYSA-N 1 0 303.189 2.118 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000329868641 404477816 /nfs/dbraw/zinc/47/78/16/404477816.db2.gz XRKAIYGWIJVIAQ-RDJZCZTQSA-N 1 0 318.417 2.068 10 0 DEAERO Cc1cccc(CS(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000178901332 144867767 /nfs/dbraw/zinc/86/77/67/144867767.db2.gz LSQKDJPCIUUBJA-XYPWUTKMSA-N 1 0 308.447 2.040 10 0 DEAERO C[NH2+]C[C@@H]1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000179001060 144869576 /nfs/dbraw/zinc/86/95/76/144869576.db2.gz FNINHASYJVAFRE-LBPRGKRZSA-N 1 0 317.364 2.091 10 0 DEAERO O=C1NCCN(CCC[NH+]2CCCC2)[C@@H]1c1ccccc1Cl ZINC000183511716 144929868 /nfs/dbraw/zinc/92/98/68/144929868.db2.gz IHNVSWXLHXXXPN-MRXNPFEDSA-N 1 0 321.852 2.299 10 0 DEAERO CCOC(C)(C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000187723506 145003384 /nfs/dbraw/zinc/00/33/84/145003384.db2.gz MVTRPCDRGYNSRO-CABCVRRESA-N 1 0 311.470 2.458 10 0 DEAERO O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CC[NH+]2CCC1CC2 ZINC000188668616 145015684 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O=C(c1ccn(-c2ccccc2)n1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190737151 145046998 /nfs/dbraw/zinc/04/69/98/145046998.db2.gz KIXGBCSDSAKLIK-CQSZACIVSA-N 1 0 310.401 2.229 10 0 DEAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCCCCn1cccn1 ZINC000191184080 145054336 /nfs/dbraw/zinc/05/43/36/145054336.db2.gz COADSKAHJIZVCP-OAGGEKHMSA-N 1 0 305.422 2.327 10 0 DEAERO Cc1nc(CC2CC2)sc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191584457 145061008 /nfs/dbraw/zinc/06/10/08/145061008.db2.gz SKPAQRWOYROPPW-CYBMUJFWSA-N 1 0 305.447 2.324 10 0 DEAERO CCCOc1nc(C)ccc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000191793752 145064417 /nfs/dbraw/zinc/06/44/17/145064417.db2.gz UVHJARNEVGEXAG-AWEZNQCLSA-N 1 0 305.422 2.203 10 0 DEAERO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000192096114 145070561 /nfs/dbraw/zinc/07/05/61/145070561.db2.gz RXHMZFIDRQRHGK-NWDGAFQWSA-N 1 0 309.373 2.342 10 0 DEAERO Cc1csc2c1ncnc2N(C)CCC[NH+]1CCN(C)CC1 ZINC000192585283 145075939 /nfs/dbraw/zinc/07/59/39/145075939.db2.gz 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ZINC000261565813 145207960 /nfs/dbraw/zinc/20/79/60/145207960.db2.gz FSFYMVBLQGJLLU-QWRGUYRKSA-N 1 0 302.465 2.058 10 0 DEAERO c1ccc(-c2noc(CN3CC[NH2+]C[C@@H]3c3cccnc3)n2)cc1 ZINC000261614621 145210237 /nfs/dbraw/zinc/21/02/37/145210237.db2.gz CHTWOMYEPXHGCY-MRXNPFEDSA-N 1 0 321.384 2.278 10 0 DEAERO Cc1cccc(NC(=O)NCc2nc(C3([NH3+])CCCC3)no2)c1 ZINC000261613590 145210659 /nfs/dbraw/zinc/21/06/59/145210659.db2.gz BAWVVJVFUSJUTM-UHFFFAOYSA-N 1 0 315.377 2.428 10 0 DEAERO Cc1noc(C)c1CCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261634891 145212231 /nfs/dbraw/zinc/21/22/31/145212231.db2.gz BMRIOGLBZFPVLE-UHFFFAOYSA-N 1 0 315.417 2.254 10 0 DEAERO CCc1ccc([C@H]2C[NH2+]CCN2CCS(=O)(=O)C(C)C)cc1 ZINC000261647896 145212842 /nfs/dbraw/zinc/21/28/42/145212842.db2.gz GDQKWJXNKALSMZ-QGZVFWFLSA-N 1 0 324.490 2.019 10 0 DEAERO [NH3+]C1(c2noc(C3CCN(C(=O)c4ccoc4)CC3)n2)CCC1 ZINC000261699535 145218102 /nfs/dbraw/zinc/21/81/02/145218102.db2.gz HYPLCYICAUUEON-UHFFFAOYSA-N 1 0 316.361 2.020 10 0 DEAERO Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)CC(C)(C)[NH3+])cs1 ZINC000261703602 145218164 /nfs/dbraw/zinc/21/81/64/145218164.db2.gz IFQXOCBETRNORQ-JSGCOSHPSA-N 1 0 314.474 2.033 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261724464 145220426 /nfs/dbraw/zinc/22/04/26/145220426.db2.gz NSSWPXIAGKAMIP-WBVHZDCISA-N 1 0 317.477 2.401 10 0 DEAERO COc1ccc(CCNC(=O)CC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000261732194 145221586 /nfs/dbraw/zinc/22/15/86/145221586.db2.gz GAADITWADKITMY-GFCCVEGCSA-N 1 0 310.825 2.397 10 0 DEAERO CC1(C)CN(c2ccc(S(=O)(=O)C(F)F)cc2)CC[C@@H]1[NH3+] ZINC000261752069 145222673 /nfs/dbraw/zinc/22/26/73/145222673.db2.gz UATRMQACEOEZOJ-LBPRGKRZSA-N 1 0 318.389 2.247 10 0 DEAERO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)c1ccc2c(c1)CCCC2 ZINC000261796760 145227249 /nfs/dbraw/zinc/22/72/49/145227249.db2.gz NWWDZHZUOWFTDL-ACJLOTCBSA-N 1 0 316.445 2.497 10 0 DEAERO [NH3+][C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)C1CCOCC1 ZINC000261809460 145228681 /nfs/dbraw/zinc/22/86/81/145228681.db2.gz OPHBPLZNXNMKTA-GOSISDBHSA-N 1 0 316.445 2.222 10 0 DEAERO c1cnn(-c2cccc(CN3CC[NH2+]C[C@H]3c3cccnc3)c2)c1 ZINC000261813029 145229143 /nfs/dbraw/zinc/22/91/43/145229143.db2.gz WZNZLLFNYMLWIL-IBGZPJMESA-N 1 0 319.412 2.414 10 0 DEAERO C[C@H]1CCN(Cc2nc(Cc3ccccc3)no2)[C@H](C[NH3+])C1 ZINC000261816456 145229610 /nfs/dbraw/zinc/22/96/10/145229610.db2.gz AGRXOSXCDSDHOL-ZFWWWQNUSA-N 1 0 300.406 2.220 10 0 DEAERO Cc1ccc2nc(CN3CC[NH2+]C[C@H]3c3cccnc3)cn2c1 ZINC000261821693 145230673 /nfs/dbraw/zinc/23/06/73/145230673.db2.gz SHAKYTRNEHNMMM-KRWDZBQOSA-N 1 0 307.401 2.184 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261843183 145232385 /nfs/dbraw/zinc/23/23/85/145232385.db2.gz VWQOJAQUNOKKQC-ZDUSSCGKSA-N 1 0 316.854 2.396 10 0 DEAERO CCC(CC)c1nnc(NC(=O)[C@H]([NH3+])C2CCOCC2)s1 ZINC000261845435 145232738 /nfs/dbraw/zinc/23/27/38/145232738.db2.gz QYWKGAWRYCVYAV-LLVKDONJSA-N 1 0 312.439 2.134 10 0 DEAERO Cc1cccc(C)c1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261903395 145239668 /nfs/dbraw/zinc/23/96/68/145239668.db2.gz HZMFXBHZRSHPOD-KZNAEPCWSA-N 1 0 318.461 2.429 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000261914264 145240785 /nfs/dbraw/zinc/24/07/85/145240785.db2.gz YORKDPYVFPFACL-FOCJUVANSA-N 1 0 315.417 2.090 10 0 DEAERO [NH3+]C1(C(=O)NCCc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000261942180 145244714 /nfs/dbraw/zinc/24/47/14/145244714.db2.gz XQUBILWHRIXUGL-UHFFFAOYSA-N 1 0 317.216 2.160 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc2n[nH]cc2c1 ZINC000261953547 145246263 /nfs/dbraw/zinc/24/62/63/145246263.db2.gz WSOLYNDXLLKOIC-MRRJBJDNSA-N 1 0 314.389 2.034 10 0 DEAERO CCC[C@H]1CCc2nc(NC(=O)C3([NH3+])CCOCC3)sc2C1 ZINC000261958022 145247048 /nfs/dbraw/zinc/24/70/48/145247048.db2.gz ZYAMYYXJAPBCLC-NSHDSACASA-N 1 0 323.462 2.495 10 0 DEAERO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000261971139 145248691 /nfs/dbraw/zinc/24/86/91/145248691.db2.gz ZATXHZOXKNQINM-INIZCTEOSA-N 1 0 312.417 2.267 10 0 DEAERO CN(CC(=O)Nc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262003237 145251952 /nfs/dbraw/zinc/25/19/52/145251952.db2.gz VMBHAIVXKDICIG-FUNVUKJBSA-N 1 0 309.360 2.118 10 0 DEAERO Fc1cccc(F)c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000262053922 145257478 /nfs/dbraw/zinc/25/74/78/145257478.db2.gz ZXVGACKZLKXNCW-XYPHTWIQSA-N 1 0 310.388 2.254 10 0 DEAERO COc1ccc(C(C)=O)cc1CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262090085 145260735 /nfs/dbraw/zinc/26/07/35/145260735.db2.gz UIRRTGJAZMUMBK-INIZCTEOSA-N 1 0 318.417 2.026 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000262093761 145261111 /nfs/dbraw/zinc/26/11/11/145261111.db2.gz UOOPSIXOWYVZDS-MRXNPFEDSA-N 1 0 318.808 2.337 10 0 DEAERO C[C@@](C[NH3+])(NS(=O)(=O)Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000262100208 145261288 /nfs/dbraw/zinc/26/12/88/145261288.db2.gz SSGKEWWJSHWZOV-ZDUSSCGKSA-N 1 0 320.817 2.026 10 0 DEAERO CC(C)Oc1cccc([C@H](C)NC(=O)C2([NH3+])CCOCC2)c1 ZINC000262121220 145264058 /nfs/dbraw/zinc/26/40/58/145264058.db2.gz KQXSCKQDXPFISN-ZDUSSCGKSA-N 1 0 306.406 2.159 10 0 DEAERO COCC[NH2+]CC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000262145666 145266368 /nfs/dbraw/zinc/26/63/68/145266368.db2.gz YJTUGUJGBFADEL-VIFPVBQESA-N 1 0 305.205 2.407 10 0 DEAERO O=C(C1C[NH2+]C1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000262211339 145269321 /nfs/dbraw/zinc/26/93/21/145269321.db2.gz JATRDLJYSUFBLZ-OAHLLOKOSA-N 1 0 316.426 2.030 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCc1ccccc1N ZINC000262290724 145273389 /nfs/dbraw/zinc/27/33/89/145273389.db2.gz NDRBDCYJXLFTOZ-ZBFHGGJFSA-N 1 0 301.434 2.287 10 0 DEAERO C[C@H]1C[C@@H](C(=O)NCC2(c3ccccc3)CCOCC2)CC[NH2+]1 ZINC000262367131 145279522 /nfs/dbraw/zinc/27/95/22/145279522.db2.gz JLERQXMLTTTZFC-HOTGVXAUSA-N 1 0 316.445 2.239 10 0 DEAERO C[C@H]1C[C@@H](C(=O)NCc2cccnc2OC2CCCC2)CC[NH2+]1 ZINC000262408293 145281959 /nfs/dbraw/zinc/28/19/59/145281959.db2.gz OXUDCXWFVXLLSO-KBPBESRZSA-N 1 0 317.433 2.407 10 0 DEAERO O=S(=O)(c1cccc2ccccc21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000262433807 145283453 /nfs/dbraw/zinc/28/34/53/145283453.db2.gz GBZYIDCJRBTOAV-GDBMZVCRSA-N 1 0 316.426 2.212 10 0 DEAERO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000262490916 145287193 /nfs/dbraw/zinc/28/71/93/145287193.db2.gz LAQFSFXDILFOAN-HUBLWGQQSA-N 1 0 306.406 2.269 10 0 DEAERO COc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000262486952 145287664 /nfs/dbraw/zinc/28/76/64/145287664.db2.gz KNNOQPOFKBTEGX-CKEIUWERSA-N 1 0 304.390 2.166 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1ccc(F)cc1F ZINC000262498273 145287892 /nfs/dbraw/zinc/28/78/92/145287892.db2.gz LSHAECINLLVCCZ-OWRWGESLSA-N 1 0 310.344 2.436 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1ccccc1Cl ZINC000262495935 145288099 /nfs/dbraw/zinc/28/80/99/145288099.db2.gz LJAUXGYBGFPTKF-MRRJBJDNSA-N 1 0 322.836 2.489 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000262511677 145288529 /nfs/dbraw/zinc/28/85/29/145288529.db2.gz NLIZDHJMAFGZRA-YOOVYSLHSA-N 1 0 306.793 2.043 10 0 DEAERO Cc1c(C(=O)NC2CC[NH2+]CC2)cnn1-c1ccccc1Cl ZINC000262522420 145289679 /nfs/dbraw/zinc/28/96/79/145289679.db2.gz YGTMYPDRENQYNL-UHFFFAOYSA-N 1 0 318.808 2.316 10 0 DEAERO COc1cc(OC)c(OC)cc1CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000262554924 145292633 /nfs/dbraw/zinc/29/26/33/145292633.db2.gz TZKZVDKTAQMNOQ-GXTWGEPZSA-N 1 0 308.422 2.272 10 0 DEAERO Cc1ccccc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262558323 145292980 /nfs/dbraw/zinc/29/29/80/145292980.db2.gz USJKAXYOUUZJNS-IIDMSEBBSA-N 1 0 302.418 2.144 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N(C)CC(C)(C)C[NH3+])nc21 ZINC000262589905 145295541 /nfs/dbraw/zinc/29/55/41/145295541.db2.gz RXKJDBKUOBPENS-UHFFFAOYSA-N 1 0 302.422 2.247 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)[C@H](C)C2C[NH2+]C2)C12CCCCC2 ZINC000262622718 145297068 /nfs/dbraw/zinc/29/70/68/145297068.db2.gz ZTFRJIPSSUZAGM-VNQPRFMTSA-N 1 0 308.466 2.428 10 0 DEAERO COC(=O)C1(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CCC(C)CC1 ZINC000262648794 145298332 /nfs/dbraw/zinc/29/83/32/145298332.db2.gz ULPDNAIYACOUOS-DGSCNEQVSA-N 1 0 324.465 2.250 10 0 DEAERO C[C@@H](CNC1=[NH+]CCCN1)Oc1cccc(Br)c1 ZINC000262671991 145298901 /nfs/dbraw/zinc/29/89/01/145298901.db2.gz PVKVBJJVSAFYBV-JTQLQIEISA-N 1 0 312.211 2.155 10 0 DEAERO CCc1cnc(N2CCN(C(=O)C3([NH3+])CCCCC3)CC2)s1 ZINC000262678578 145299926 /nfs/dbraw/zinc/29/99/26/145299926.db2.gz VBYJWEBWYWAFNR-UHFFFAOYSA-N 1 0 322.478 2.016 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000262726552 145301932 /nfs/dbraw/zinc/30/19/32/145301932.db2.gz HIZLQBHYWGWOCW-DYVFJYSZSA-N 1 0 324.428 2.478 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[NH2+][C@H](C)[C@H]3C)nc21 ZINC000262772905 145304059 /nfs/dbraw/zinc/30/40/59/145304059.db2.gz LNIIDQFUSGBRBZ-CHWSQXEVSA-N 1 0 300.406 2.013 10 0 DEAERO Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1C ZINC000262778487 145305125 /nfs/dbraw/zinc/30/51/25/145305125.db2.gz OHIUGYROFJYSBE-SWLSCSKDSA-N 1 0 310.463 2.197 10 0 DEAERO Cc1[nH]c2ccc(CNC(=O)C[C@H]3CSCC[NH2+]3)cc2c1C ZINC000262808373 145305461 /nfs/dbraw/zinc/30/54/61/145305461.db2.gz QPBZSYSLOCHIDG-AWEZNQCLSA-N 1 0 317.458 2.496 10 0 DEAERO CC(C)Oc1cccc(Cc2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263137334 145328969 /nfs/dbraw/zinc/32/89/69/145328969.db2.gz CCQFUBYFJOBQES-OAHLLOKOSA-N 1 0 316.405 2.024 10 0 DEAERO Cc1cc([C@@H]2CCCN(C(=O)[C@H]3CCCC[C@]3(C)[NH3+])C2)[nH]n1 ZINC000263215716 145337195 /nfs/dbraw/zinc/33/71/95/145337195.db2.gz KWDNLJHNNMBXGM-CPUCHLNUSA-N 1 0 304.438 2.332 10 0 DEAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCOc1ccc(F)cc1F ZINC000263216945 145337369 /nfs/dbraw/zinc/33/73/69/145337369.db2.gz LADNMTHTZJYJPS-LRDDRELGSA-N 1 0 312.360 2.367 10 0 DEAERO C[C@H](O)C1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000304249043 145340000 /nfs/dbraw/zinc/34/00/00/145340000.db2.gz BBGAHSOFWRBWIM-AWEZNQCLSA-N 1 0 311.470 2.053 10 0 DEAERO C[C@@H]1C[C@@H](NCc2ncc(Br)s2)CC[N@@H+]1C ZINC000309762980 145350567 /nfs/dbraw/zinc/35/05/67/145350567.db2.gz JCDKLPGOYAWAGM-BDAKNGLRSA-N 1 0 304.257 2.478 10 0 DEAERO Cc1cn2c(n1)[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)CCC2 ZINC000332679257 145386598 /nfs/dbraw/zinc/38/65/98/145386598.db2.gz GGHDTVJJYCDFTD-JKSUJKDBSA-N 1 0 318.465 2.450 10 0 DEAERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccnc(OC(F)F)c1 ZINC000356985311 147016207 /nfs/dbraw/zinc/01/62/07/147016207.db2.gz NVYJEJUMYFUGSF-QWRGUYRKSA-N 1 0 313.348 2.172 10 0 DEAERO COC1CCC([NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CC1 ZINC000345035006 292159683 /nfs/dbraw/zinc/15/96/83/292159683.db2.gz NRCXWGSVIQTLLV-MMIPBJDJSA-N 1 0 320.481 2.350 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1ccccc1O ZINC000358285411 147106335 /nfs/dbraw/zinc/10/63/35/147106335.db2.gz ZNJAQWZNTFFFMA-HNNXBMFYSA-N 1 0 305.422 2.108 10 0 DEAERO COCCC1(C)CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000358481808 147142355 /nfs/dbraw/zinc/14/23/55/147142355.db2.gz PWSVFFDWZUPEKS-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO C[C@H](CSc1n[nH]c(=O)n1CCc1ccccc1)[NH+](C)C ZINC000358850876 147218854 /nfs/dbraw/zinc/21/88/54/147218854.db2.gz GYILAIOIVVRTLR-GFCCVEGCSA-N 1 0 306.435 2.269 10 0 DEAERO COC[C@@H](O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000367751286 147788641 /nfs/dbraw/zinc/78/86/41/147788641.db2.gz CAIIGFRGJYUINS-INIZCTEOSA-N 1 0 321.396 2.088 10 0 DEAERO CC(=O)OC(C)(C)C(=O)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000370393649 148013604 /nfs/dbraw/zinc/01/36/04/148013604.db2.gz BZOCQBOZEOIZOU-CQSZACIVSA-N 1 0 322.449 2.051 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374548280 148259567 /nfs/dbraw/zinc/25/95/67/148259567.db2.gz JRXMAJWWZIESPQ-SOUVJXGZSA-N 1 0 319.453 2.164 10 0 DEAERO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375399213 148367090 /nfs/dbraw/zinc/36/70/90/148367090.db2.gz ACTCGCKIUVOFAL-ZDUSSCGKSA-N 1 0 301.394 2.287 10 0 DEAERO CC(C)(C)OC(=O)CC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375464416 148376237 /nfs/dbraw/zinc/37/62/37/148376237.db2.gz CUHUSMSSUOQHOX-GFCCVEGCSA-N 1 0 307.394 2.468 10 0 DEAERO COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CCCC[C@@H]2c2ccnn2C)C1 ZINC000375608839 148390156 /nfs/dbraw/zinc/39/01/56/148390156.db2.gz UKYFZUSTCNWGAH-CZUORRHYSA-N 1 0 319.405 2.183 10 0 DEAERO Cc1cc(=O)[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000408023839 148555400 /nfs/dbraw/zinc/55/54/00/148555400.db2.gz WDCDHUANZPDXCO-KGLIPLIRSA-N 1 0 303.406 2.183 10 0 DEAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000111690002 401721087 /nfs/dbraw/zinc/72/10/87/401721087.db2.gz UVQYAPHPMAKHBH-VXGBXAGGSA-N 1 0 316.430 2.291 10 0 DEAERO CC(C)c1ccccc1OC[C@H](O)C[N@H+](C)CCn1cccn1 ZINC000111695284 401721323 /nfs/dbraw/zinc/72/13/23/401721323.db2.gz OVSBSVAJSDJCTN-MRXNPFEDSA-N 1 0 317.433 2.378 10 0 DEAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn3c2CCCC3)C1 ZINC000127206363 401724943 /nfs/dbraw/zinc/72/49/43/401724943.db2.gz NVOJCEQNIBJFSN-CQSZACIVSA-N 1 0 318.465 2.460 10 0 DEAERO CSc1ccsc1C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000127287195 401727435 /nfs/dbraw/zinc/72/74/35/401727435.db2.gz VAHFTQARUKSMFC-NSHDSACASA-N 1 0 312.460 2.063 10 0 DEAERO CCc1onc(C)c1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000112085318 401730605 /nfs/dbraw/zinc/73/06/05/401730605.db2.gz YQENTMDSMSWAQO-UHFFFAOYSA-N 1 0 301.390 2.407 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000112133408 401731320 /nfs/dbraw/zinc/73/13/20/401731320.db2.gz FXIVCTKUADILMA-KBPBESRZSA-N 1 0 320.437 2.043 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)NCc3cccnc3)cc2)CC1 ZINC000074165870 401731650 /nfs/dbraw/zinc/73/16/50/401731650.db2.gz GJMBBMNGRIPUPF-UHFFFAOYSA-N 1 0 324.428 2.154 10 0 DEAERO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)C(=O)N(C)C ZINC000127399903 401732789 /nfs/dbraw/zinc/73/27/89/401732789.db2.gz CRGPLMQRKFURCV-QMMMGPOBSA-N 1 0 303.175 2.155 10 0 DEAERO C[C@@H]([NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C)C(C)(C)C ZINC000074317612 401734985 /nfs/dbraw/zinc/73/49/85/401734985.db2.gz BIKBXEWSRQSYSO-SECBINFHSA-N 1 0 319.434 2.167 10 0 DEAERO CCCc1noc(CCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000127701902 401746191 /nfs/dbraw/zinc/74/61/91/401746191.db2.gz XXHGZJUEKZMGFN-KGLIPLIRSA-N 1 0 322.453 2.286 10 0 DEAERO CNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000111268467 401705632 /nfs/dbraw/zinc/70/56/32/401705632.db2.gz DMBJWIFYNNLGPH-HNNXBMFYSA-N 1 0 317.433 2.207 10 0 DEAERO CCNC(=O)CC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111307545 401710227 /nfs/dbraw/zinc/71/02/27/401710227.db2.gz BHXOFVYFABAZLH-UHFFFAOYSA-N 1 0 315.461 2.287 10 0 DEAERO COc1ccccc1NC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072758822 401712302 /nfs/dbraw/zinc/71/23/02/401712302.db2.gz PFDMTAJPMTYFRB-HNNXBMFYSA-N 1 0 319.449 2.440 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)C1 ZINC000127016853 401716936 /nfs/dbraw/zinc/71/69/36/401716936.db2.gz VQUREQMDTLDTEI-LBPRGKRZSA-N 1 0 315.377 2.152 10 0 DEAERO CCc1nnsc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000114680764 401805990 /nfs/dbraw/zinc/80/59/90/401805990.db2.gz RMBKFECYSRIYAY-CYBMUJFWSA-N 1 0 318.446 2.003 10 0 DEAERO CC(C)[C@H](C)NC(=O)C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000077274581 401808425 /nfs/dbraw/zinc/80/84/25/401808425.db2.gz NRQOCGIGNOYTJW-INIZCTEOSA-N 1 0 309.498 2.345 10 0 DEAERO CCn1cc(C[N@@H+]2CCCN(c3cccc(F)n3)CC2)cn1 ZINC000112695499 401754018 /nfs/dbraw/zinc/75/40/18/401754018.db2.gz YDXYXHKGRCWTNL-UHFFFAOYSA-N 1 0 303.385 2.149 10 0 DEAERO CC(C)[C@H](CNC(=O)N1CCCC(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000112742086 401757281 /nfs/dbraw/zinc/75/72/81/401757281.db2.gz URHROVBQAAEYFO-INIZCTEOSA-N 1 0 324.513 2.090 10 0 DEAERO CCOc1ccc(NC(=O)[C@H](C)N2CCC([NH+](C)C)CC2)cc1 ZINC000127965033 401757565 /nfs/dbraw/zinc/75/75/65/401757565.db2.gz PBQUAHXXGJDNBJ-AWEZNQCLSA-N 1 0 319.449 2.438 10 0 DEAERO CC[NH+]1CCN([C@H](C)CNC(=O)Nc2ccc(C)s2)CC1 ZINC000075409773 401759414 /nfs/dbraw/zinc/75/94/14/401759414.db2.gz LYLXGIHOTBIKBA-GFCCVEGCSA-N 1 0 310.467 2.204 10 0 DEAERO C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000128115299 401763266 /nfs/dbraw/zinc/76/32/66/401763266.db2.gz GQOBSLZLOVUUFF-IAGOWNOFSA-N 1 0 302.418 2.389 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(-c2ccncc2)on1 ZINC000113222646 401770822 /nfs/dbraw/zinc/77/08/22/401770822.db2.gz AVWHASIPSBEUDO-GXTWGEPZSA-N 1 0 312.373 2.045 10 0 DEAERO Cc1c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cnn1C(C)(C)C ZINC000113222731 401770922 /nfs/dbraw/zinc/77/09/22/401770922.db2.gz FHVMOZDJMUTPOE-GXTWGEPZSA-N 1 0 304.438 2.255 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(Cl)nc2ccccn21 ZINC000113227320 401771736 /nfs/dbraw/zinc/77/17/36/401771736.db2.gz OFLKTOZYRCDGJK-VXGBXAGGSA-N 1 0 318.808 2.296 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(-c2ccco2)on1 ZINC000113227747 401771869 /nfs/dbraw/zinc/77/18/69/401771869.db2.gz QSXFJVITDHPGGU-NWDGAFQWSA-N 1 0 301.346 2.243 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(Cc2ccccc2)no1 ZINC000113269698 401773903 /nfs/dbraw/zinc/77/39/03/401773903.db2.gz UJEZQHMYKHKBIQ-GOEBONIOSA-N 1 0 312.417 2.329 10 0 DEAERO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000113343330 401776778 /nfs/dbraw/zinc/77/67/78/401776778.db2.gz TUQDJFAJPBSJOM-GFCCVEGCSA-N 1 0 307.394 2.195 10 0 DEAERO CCOc1cccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113589442 401783017 /nfs/dbraw/zinc/78/30/17/401783017.db2.gz UHKGDSUEFVIPKD-HOCLYGCPSA-N 1 0 317.433 2.463 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1c(F)cccc1F ZINC000113598391 401783137 /nfs/dbraw/zinc/78/31/37/401783137.db2.gz QJSBVAVEKZAVOC-CHWSQXEVSA-N 1 0 323.387 2.385 10 0 DEAERO CSCCCC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000128724730 401789153 /nfs/dbraw/zinc/78/91/53/401789153.db2.gz XUECXEBNKMNMHL-BETUJISGSA-N 1 0 302.484 2.134 10 0 DEAERO FCCC[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000128717815 401789224 /nfs/dbraw/zinc/78/92/24/401789224.db2.gz RUZVRQLTDDXNID-UHFFFAOYSA-N 1 0 302.397 2.350 10 0 DEAERO CCCC[C@@H](COC)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000128742086 401789680 /nfs/dbraw/zinc/78/96/80/401789680.db2.gz IAYLVFTUQNNVOQ-DLBZAZTESA-N 1 0 306.450 2.481 10 0 DEAERO COCCCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000114207629 401794127 /nfs/dbraw/zinc/79/41/27/401794127.db2.gz KXPCCBHWKIUERI-HNNXBMFYSA-N 1 0 305.422 2.467 10 0 DEAERO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(Cc2ccccc2)c1 ZINC000017040337 401820299 /nfs/dbraw/zinc/82/02/99/401820299.db2.gz BPXQNOJUJMPEEQ-UHFFFAOYSA-N 1 0 307.401 2.463 10 0 DEAERO CSC[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000077572370 401821165 /nfs/dbraw/zinc/82/11/65/401821165.db2.gz ZPUSYXICWFKHGQ-ZFWWWQNUSA-N 1 0 309.479 2.210 10 0 DEAERO Cc1nc(CN2CC[NH+](CC3(O)CCC(C)CC3)CC2)oc1C ZINC000130380007 401829165 /nfs/dbraw/zinc/82/91/65/401829165.db2.gz XNPVKRQNNYOYLY-UHFFFAOYSA-N 1 0 321.465 2.350 10 0 DEAERO CCOCCC1(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000132691476 401871454 /nfs/dbraw/zinc/87/14/54/401871454.db2.gz XQAUOKWBJHVNAH-UHFFFAOYSA-N 1 0 323.481 2.463 10 0 DEAERO CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000025922014 401837859 /nfs/dbraw/zinc/83/78/59/401837859.db2.gz ABPORUPWIHDQSC-CQSZACIVSA-N 1 0 304.390 2.121 10 0 DEAERO COc1ccc(CC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1 ZINC000116275105 401848058 /nfs/dbraw/zinc/84/80/58/401848058.db2.gz TUUNWZDEUNKWNR-KRWDZBQOSA-N 1 0 302.418 2.180 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc2c(c1)OCCO2 ZINC000078614376 401858676 /nfs/dbraw/zinc/85/86/76/401858676.db2.gz OWPVMDNWROCACN-AWEZNQCLSA-N 1 0 306.406 2.164 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)C(C)(C)c2ccc(Cl)cc2)CCO1 ZINC000116795130 401859068 /nfs/dbraw/zinc/85/90/68/401859068.db2.gz SUFMMYUZIIZHTG-HNNXBMFYSA-N 1 0 324.852 2.407 10 0 DEAERO Cc1c2ccccc2oc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116790220 401859370 /nfs/dbraw/zinc/85/93/70/401859370.db2.gz UGFAJPSSPKJTSV-CYBMUJFWSA-N 1 0 302.374 2.144 10 0 DEAERO Cc1cccc(CSCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000116796654 401860023 /nfs/dbraw/zinc/86/00/23/401860023.db2.gz RGVWYABMLOIRKO-INIZCTEOSA-N 1 0 322.474 2.017 10 0 DEAERO CC(=O)N1CCC([NH2+]CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000116922695 401864170 /nfs/dbraw/zinc/86/41/70/401864170.db2.gz WXPQGPUIQOQVRK-UHFFFAOYSA-N 1 0 303.381 2.450 10 0 DEAERO CCOC[C@@H]1CCCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000132395124 401866084 /nfs/dbraw/zinc/86/60/84/401866084.db2.gz WAGCIAIRZZOZBT-ARFHVFGLSA-N 1 0 311.470 2.173 10 0 DEAERO CCO[C@H]1C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078876520 401867598 /nfs/dbraw/zinc/86/75/98/401867598.db2.gz MLOFBZLGTIOFBX-IRXDYDNUSA-N 1 0 302.418 2.324 10 0 DEAERO CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117044936 401867822 /nfs/dbraw/zinc/86/78/22/401867822.db2.gz BUHFJIVSUCRZKQ-BZUAXINKSA-N 1 0 311.470 2.317 10 0 DEAERO CCC1(CNC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000079129266 401869753 /nfs/dbraw/zinc/86/97/53/401869753.db2.gz YAVBBAKVSNUCCU-CQSZACIVSA-N 1 0 309.454 2.071 10 0 DEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2csc(Br)c2)C1 ZINC000040452329 401925030 /nfs/dbraw/zinc/92/50/30/401925030.db2.gz FNDNPVDVIUQDCG-SECBINFHSA-N 1 0 303.225 2.335 10 0 DEAERO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)ccn1 ZINC000119265736 401937309 /nfs/dbraw/zinc/93/73/09/401937309.db2.gz XXVSHKQQSYPJHX-AWEZNQCLSA-N 1 0 318.421 2.107 10 0 DEAERO CCN(C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)C ZINC000119173989 401931060 /nfs/dbraw/zinc/93/10/60/401931060.db2.gz RMHSVAFNNMHYFK-SJPCQFCGSA-N 1 0 322.497 2.080 10 0 DEAERO C[C@H](C[N@H+](C)CCc1ccc(Cl)cc1)CS(C)(=O)=O ZINC000119180844 401931442 /nfs/dbraw/zinc/93/14/42/401931442.db2.gz XPFAKAUVEPKDKE-GFCCVEGCSA-N 1 0 303.855 2.495 10 0 DEAERO CCC[C@H](C(=O)Nc1cccc(OCC(F)F)n1)[NH+](C)C ZINC000135253816 401931904 /nfs/dbraw/zinc/93/19/04/401931904.db2.gz LGVJMJDODWEOQV-SNVBAGLBSA-N 1 0 301.337 2.394 10 0 DEAERO CCS(=O)(=O)NCCC[N@H+]1CC=C(c2cccs2)CC1 ZINC000132955363 401877273 /nfs/dbraw/zinc/87/72/73/401877273.db2.gz YQMRTIHIMIYCFE-UHFFFAOYSA-N 1 0 314.476 2.167 10 0 DEAERO CCOc1c(F)cccc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079683855 401879308 /nfs/dbraw/zinc/87/93/08/401879308.db2.gz YCLUTJUXFHEOGS-GFCCVEGCSA-N 1 0 306.381 2.439 10 0 DEAERO C[C@@H](NC(=O)NCC[NH+](C)C)c1ccccc1Br ZINC000133342463 401882411 /nfs/dbraw/zinc/88/24/11/401882411.db2.gz UFZDOLMWDHIIEZ-SNVBAGLBSA-N 1 0 314.227 2.371 10 0 DEAERO C[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000079901376 401883158 /nfs/dbraw/zinc/88/31/58/401883158.db2.gz QKWNDSAGQPDFLH-HOTGVXAUSA-N 1 0 313.825 2.328 10 0 DEAERO Cc1cnn(CCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000118064387 401889966 /nfs/dbraw/zinc/88/99/66/401889966.db2.gz QBVWSESIAKJAPT-RHSMWYFYSA-N 1 0 321.469 2.001 10 0 DEAERO O=C1CCCN1C[C@H](O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000033895812 401892764 /nfs/dbraw/zinc/89/27/64/401892764.db2.gz NZWUBIVBYPPDDB-GOSISDBHSA-N 1 0 324.424 2.349 10 0 DEAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@]1(CC)CCC[NH2+]1 ZINC000134522317 401905631 /nfs/dbraw/zinc/90/56/31/401905631.db2.gz CIZMPYYGIWJCRD-AEFFLSMTSA-N 1 0 304.434 2.409 10 0 DEAERO NC(=O)N1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000037197852 401910818 /nfs/dbraw/zinc/91/08/18/401910818.db2.gz QNJYUAALLMQMPQ-UHFFFAOYSA-N 1 0 301.312 2.338 10 0 DEAERO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCS(C)(=O)=O ZINC000037740492 401917130 /nfs/dbraw/zinc/91/71/30/401917130.db2.gz YSPZUYYOJFVPCK-NSHDSACASA-N 1 0 321.389 2.243 10 0 DEAERO CCn1cc(C[N@@H+]2CCCN(c3nc4ccccc4[nH]3)CC2)cn1 ZINC000134956425 401921785 /nfs/dbraw/zinc/92/17/85/401921785.db2.gz CWMKNFBMGIGZDR-UHFFFAOYSA-N 1 0 324.432 2.492 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000134958073 401922167 /nfs/dbraw/zinc/92/21/67/401922167.db2.gz SVHLWGXCQSUXQR-LLVKDONJSA-N 1 0 321.396 2.171 10 0 DEAERO C[C@H]1CN(C(=O)c2ccccc2Br)C[C@H]1[NH+](C)C ZINC000089710073 401958540 /nfs/dbraw/zinc/95/85/40/401958540.db2.gz QHIIPHDGPHTNIF-GXFFZTMASA-N 1 0 311.223 2.471 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000045545254 401958592 /nfs/dbraw/zinc/95/85/92/401958592.db2.gz VUNZVVKCNQTVFL-ZDUSSCGKSA-N 1 0 321.421 2.160 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1O ZINC000119553618 401958670 /nfs/dbraw/zinc/95/86/70/401958670.db2.gz DKTKBNCDRMJYLH-CQSZACIVSA-N 1 0 306.406 2.008 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2ccccc2)CC1 ZINC000046278757 401968157 /nfs/dbraw/zinc/96/81/57/401968157.db2.gz TZVOTVAKXCGVRI-MRXNPFEDSA-N 1 0 318.465 2.249 10 0 DEAERO COc1ccccc1NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150843599 401999576 /nfs/dbraw/zinc/99/95/76/401999576.db2.gz GCBPJBSBLBTDOR-OAHLLOKOSA-N 1 0 317.433 2.051 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000137310816 401981894 /nfs/dbraw/zinc/98/18/94/401981894.db2.gz HTMIHQKHANTLBS-ZDUSSCGKSA-N 1 0 303.337 2.305 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(F)n1 ZINC000137400823 401982970 /nfs/dbraw/zinc/98/29/70/401982970.db2.gz ZQMUOTDFLDWZGG-CQSZACIVSA-N 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MZRBBZOASZGDRB-BXKDBHETSA-N 1 0 314.476 2.268 10 0 DEAERO CC[N@H+](CCNC(=O)N(C)CCOc1ccc(C)cc1)C1CC1 ZINC000102069111 402162450 /nfs/dbraw/zinc/16/24/50/402162450.db2.gz ZFWPLOLNGCIZPU-UHFFFAOYSA-N 1 0 319.449 2.500 10 0 DEAERO C[NH+](C)CCOc1cc(CNC(=O)N2CCCC2(C)C)ccn1 ZINC000153686307 402163115 /nfs/dbraw/zinc/16/31/15/402163115.db2.gz PSWHDBVDELEQSI-UHFFFAOYSA-N 1 0 320.437 2.106 10 0 DEAERO CC(C)c1noc(CCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000124121103 402164870 /nfs/dbraw/zinc/16/48/70/402164870.db2.gz PWAPHBOYEHDIJE-OLZOCXBDSA-N 1 0 308.426 2.067 10 0 DEAERO COc1cccc(OCC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000153741053 402167357 /nfs/dbraw/zinc/16/73/57/402167357.db2.gz OHCNREBLERCWBZ-OAHLLOKOSA-N 1 0 316.405 2.078 10 0 DEAERO C[C@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCO1 ZINC000067699397 402168577 /nfs/dbraw/zinc/16/85/77/402168577.db2.gz WLUMEXBQPPPWBS-DOTOQJQBSA-N 1 0 323.481 2.461 10 0 DEAERO CC[C@H](CO)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067734231 402170508 /nfs/dbraw/zinc/17/05/08/402170508.db2.gz ZAUSCCODUSYPLG-IAGOWNOFSA-N 1 0 319.449 2.111 10 0 DEAERO C[C@]1(CNC(=O)c2csnn2)CCC[N@@H+]1Cc1ccccc1 ZINC000153797623 402171046 /nfs/dbraw/zinc/17/10/46/402171046.db2.gz UYMKSOKDUUWIGJ-MRXNPFEDSA-N 1 0 316.430 2.323 10 0 DEAERO CN(C)C(=O)[C@H]1CCCN1Cc1csc(-c2ccccn2)n1 ZINC000124299871 402174021 /nfs/dbraw/zinc/17/40/21/402174021.db2.gz JJXNHNBHJYDLPP-CQSZACIVSA-N 1 0 316.430 2.258 10 0 DEAERO COC(=O)CC(C)(C)CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000154798624 402233089 /nfs/dbraw/zinc/23/30/89/402233089.db2.gz PRFQSHFQBLVIKM-OAHLLOKOSA-N 1 0 320.433 2.385 10 0 DEAERO O=C(CCOC[C@H]1CCCO1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107531028 402234671 /nfs/dbraw/zinc/23/46/71/402234671.db2.gz HJSGILYZLHHBNH-IAGOWNOFSA-N 1 0 324.465 2.049 10 0 DEAERO O=C(CCc1ccccn1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107528520 402234734 /nfs/dbraw/zinc/23/47/34/402234734.db2.gz ZQEYYPWMJDHPQX-KRWDZBQOSA-N 1 0 301.434 2.491 10 0 DEAERO COc1ccccc1C[C@H]1CCC[N@@H+]1CCN1CCCC1=O ZINC000069683226 402238268 /nfs/dbraw/zinc/23/82/68/402238268.db2.gz NVXRDVXQZIRFGQ-MRXNPFEDSA-N 1 0 302.418 2.325 10 0 DEAERO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000069683133 402238670 /nfs/dbraw/zinc/23/86/70/402238670.db2.gz UCNJVCDIROLOGN-MRXNPFEDSA-N 1 0 302.418 2.323 10 0 DEAERO O=S(=O)(c1ccccc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107708041 402239258 /nfs/dbraw/zinc/23/92/58/402239258.db2.gz LLDNTPRCTHZOKA-OAHLLOKOSA-N 1 0 308.447 2.326 10 0 DEAERO CN(C[C@@H]1CCCOC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000107778353 402240642 /nfs/dbraw/zinc/24/06/42/402240642.db2.gz ITXLYXYSKNKWOA-IRXDYDNUSA-N 1 0 304.434 2.044 10 0 DEAERO CCc1nc(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)cs1 ZINC000107836700 402242081 /nfs/dbraw/zinc/24/20/81/402242081.db2.gz JXZKMFJWRPVVDZ-GFCCVEGCSA-N 1 0 310.467 2.237 10 0 DEAERO Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000069773788 402243676 /nfs/dbraw/zinc/24/36/76/402243676.db2.gz IDKJTERATUXEEY-JSGCOSHPSA-N 1 0 309.458 2.065 10 0 DEAERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(-n2ccnc2)cc1 ZINC000125699040 402245797 /nfs/dbraw/zinc/24/57/97/402245797.db2.gz MKTBMIUBWFTXKM-QAPCUYQASA-N 1 0 315.417 2.312 10 0 DEAERO C[NH+](C)C[C@H]1CN(CCOc2cccc3ccccc32)CCO1 ZINC000155268963 402250795 /nfs/dbraw/zinc/25/07/95/402250795.db2.gz CVICZFBGBDLKIY-KRWDZBQOSA-N 1 0 314.429 2.481 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000069968204 402253173 /nfs/dbraw/zinc/25/31/73/402253173.db2.gz LRMQUXPUMAANJT-NSHDSACASA-N 1 0 321.450 2.004 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000070170308 402258013 /nfs/dbraw/zinc/25/80/13/402258013.db2.gz VYEARFUBNZCVEF-GFCCVEGCSA-N 1 0 316.854 2.398 10 0 DEAERO COc1cccc(-c2cc3c(N4CCC[C@H]([NH3+])C4)nccn3n2)c1 ZINC000070459272 402261324 /nfs/dbraw/zinc/26/13/24/402261324.db2.gz JEVGYWZMPWRRCF-AWEZNQCLSA-N 1 0 323.400 2.332 10 0 DEAERO CCCn1cc(CN2CCCN(C(=O)[C@H](C)CC)CC2)cn1 ZINC000105833731 402209403 /nfs/dbraw/zinc/20/94/03/402209403.db2.gz 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/nfs/dbraw/zinc/27/69/67/402276967.db2.gz GUJICJOQHDRWGF-ZBFHGGJFSA-N 1 0 306.450 2.073 10 0 DEAERO C[C@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCCC1 ZINC000184659916 402289415 /nfs/dbraw/zinc/28/94/15/402289415.db2.gz LLRWAUYJUHEIIM-LBPRGKRZSA-N 1 0 324.446 2.197 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)N2CCCN(C3CC3)CC2)s1 ZINC000176277964 402296349 /nfs/dbraw/zinc/29/63/49/402296349.db2.gz KXBWBCMFDDYTMC-LBPRGKRZSA-N 1 0 323.462 2.469 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)N2CCCCC2=O)C1 ZINC000176292136 402297464 /nfs/dbraw/zinc/29/74/64/402297464.db2.gz VAXPXIFJQOAYQK-HZPDHXFCSA-N 1 0 323.481 2.014 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCc2cccc(C)n2)CC1 ZINC000157801985 402298694 /nfs/dbraw/zinc/29/86/94/402298694.db2.gz JIIOPWCGHZIOKF-UHFFFAOYSA-N 1 0 304.438 2.311 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000176347023 402301631 /nfs/dbraw/zinc/30/16/31/402301631.db2.gz AOLNFCOWDOYJRO-AWEZNQCLSA-N 1 0 318.421 2.042 10 0 DEAERO CC[C@@H]1CN(C(=O)NCC2(C(C)C)CC2)CC[N@@H+]1CCOC ZINC000176351410 402302109 /nfs/dbraw/zinc/30/21/09/402302109.db2.gz NHNKVXLUEHLCMK-OAHLLOKOSA-N 1 0 311.470 2.175 10 0 DEAERO Cc1nc(CN2CCCN(Cc3cnn(C)c3)CC2)sc1C ZINC000176360531 402302706 /nfs/dbraw/zinc/30/27/06/402302706.db2.gz WHYPCSRPGGBCKX-UHFFFAOYSA-N 1 0 319.478 2.201 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000184878582 402306166 /nfs/dbraw/zinc/30/61/66/402306166.db2.gz UECUDUOTKHXUCI-OAHLLOKOSA-N 1 0 315.421 2.178 10 0 DEAERO Cc1cc(F)ccc1CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176424272 402307915 /nfs/dbraw/zinc/30/79/15/402307915.db2.gz GOZLDOYLPOSDGQ-MRXNPFEDSA-N 1 0 305.397 2.166 10 0 DEAERO Cc1nnc([C@H]([NH2+][C@@H](C)CCn2cccn2)c2ccccc2)[nH]1 ZINC000158809226 402311922 /nfs/dbraw/zinc/31/19/22/402311922.db2.gz YDUVCUQLUWUEJV-XJKSGUPXSA-N 1 0 310.405 2.467 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2nc3c(s2)COCC3)[C@@H](C)C1 ZINC000176465683 402312137 /nfs/dbraw/zinc/31/21/37/402312137.db2.gz BNCREFQBBWVKRM-JQWIXIFHSA-N 1 0 324.450 2.066 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(I)cc1 ZINC000228729421 402339903 /nfs/dbraw/zinc/33/99/03/402339903.db2.gz FWLSNYIJRBFHKV-ZJUUUORDSA-N 1 0 319.186 2.398 10 0 DEAERO Cc1c(C[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000229809437 402345605 /nfs/dbraw/zinc/34/56/05/402345605.db2.gz STZAGZOSGCAWPF-AWEZNQCLSA-N 1 0 322.453 2.465 10 0 DEAERO Cc1nc2ccccc2n1CC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176904033 402348868 /nfs/dbraw/zinc/34/88/68/402348868.db2.gz LFOZYDOIIDBPLE-UHFFFAOYSA-N 1 0 323.400 2.440 10 0 DEAERO CC(C)[NH+](CCCNC(=O)c1ccc2nnn(C)c2c1)C(C)C ZINC000185416446 402351365 /nfs/dbraw/zinc/35/13/65/402351365.db2.gz RCNHEHWWEPWNNP-UHFFFAOYSA-N 1 0 317.437 2.207 10 0 DEAERO C[C@@H](C[N@H+](C)CCCOc1ccc(F)cc1)CS(C)(=O)=O ZINC000176961842 402354741 /nfs/dbraw/zinc/35/47/41/402354741.db2.gz XJJWQHRVTHLJCR-ZDUSSCGKSA-N 1 0 317.426 2.207 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H]1c2ccccc2NC1=O ZINC000177000932 402358212 /nfs/dbraw/zinc/35/82/12/402358212.db2.gz JOGVCEWJAIKGFZ-DZGCQCFKSA-N 1 0 315.417 2.055 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(OC)c(OC)c1 ZINC000177005305 402358708 /nfs/dbraw/zinc/35/87/08/402358708.db2.gz RPJFNNJFYGICAJ-CQSZACIVSA-N 1 0 306.406 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCOc1ccc(OC)cc1 ZINC000177017125 402359638 /nfs/dbraw/zinc/35/96/38/402359638.db2.gz APZOOWMJDRHDCO-HNNXBMFYSA-N 1 0 320.433 2.407 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccnc1NC(C)C ZINC000177033685 402361872 /nfs/dbraw/zinc/36/18/72/402361872.db2.gz AJUCFDSQMVJUKL-AWEZNQCLSA-N 1 0 304.438 2.458 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000177061469 402365355 /nfs/dbraw/zinc/36/53/55/402365355.db2.gz DSGSXLXIXVRPMP-HIFRSBDPSA-N 1 0 318.417 2.306 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000177080969 402367521 /nfs/dbraw/zinc/36/75/21/402367521.db2.gz QSRSQIPEMZGBTJ-HNNXBMFYSA-N 1 0 305.422 2.224 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cccc(SC)c2)CC1 ZINC000177085370 402368252 /nfs/dbraw/zinc/36/82/52/402368252.db2.gz NOUVKHLSTJPFIO-AWEZNQCLSA-N 1 0 323.462 2.329 10 0 DEAERO Cn1nccc1C1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177091609 402368522 /nfs/dbraw/zinc/36/85/22/402368522.db2.gz MKDSJYDVVGVQSX-UHFFFAOYSA-N 1 0 322.416 2.380 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc3ccncc32)[C@H](C)C1 ZINC000185725859 402371883 /nfs/dbraw/zinc/37/18/83/402371883.db2.gz BODHTTQMIDFJHZ-DYVFJYSZSA-N 1 0 312.417 2.432 10 0 DEAERO CC(=O)c1ccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000236663708 402372085 /nfs/dbraw/zinc/37/20/85/402372085.db2.gz JZJFEGGYGQQWSB-UHFFFAOYSA-N 1 0 324.446 2.219 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccnc2N2CCCC2)[C@@H](C)C1 ZINC000177135539 402373698 /nfs/dbraw/zinc/37/36/98/402373698.db2.gz DGANPHWAUVBQID-HOCLYGCPSA-N 1 0 316.449 2.140 10 0 DEAERO COc1cc(C[NH2+]C(C)(C)[C@@H](C)O)cc(Br)c1O ZINC000161134647 402374627 /nfs/dbraw/zinc/37/46/27/402374627.db2.gz CXTXWBYPERGIOX-MRVPVSSYSA-N 1 0 318.211 2.412 10 0 DEAERO COCCCOc1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000177144348 402374958 /nfs/dbraw/zinc/37/49/58/402374958.db2.gz ALAMHMLJFJPPAM-OAHLLOKOSA-N 1 0 321.421 2.270 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1cc(Br)cs1 ZINC000226394651 402327696 /nfs/dbraw/zinc/32/76/96/402327696.db2.gz SLVCSJZNWOWVSU-VXNVDRBHSA-N 1 0 303.225 2.440 10 0 DEAERO C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000177274346 402386742 /nfs/dbraw/zinc/38/67/42/402386742.db2.gz AUAKBADRYHHHTM-HNNXBMFYSA-N 1 0 312.417 2.208 10 0 DEAERO COC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000228641919 402339437 /nfs/dbraw/zinc/33/94/37/402339437.db2.gz QIQFAJBSYNSQKS-TVQRCGJNSA-N 1 0 316.195 2.024 10 0 DEAERO CC1(C)Cc2cccc(CNC[C@@H](O)C[NH+]3CCCCC3)c2O1 ZINC000161766666 402398045 /nfs/dbraw/zinc/39/80/45/402398045.db2.gz PGTCKJRYSQDNAB-QGZVFWFLSA-N 1 0 318.461 2.337 10 0 DEAERO CN(CCOc1ccccc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237192621 402398655 /nfs/dbraw/zinc/39/86/55/402398655.db2.gz WZLKXQVWLZPOOB-XIRDDKMYSA-N 1 0 302.418 2.445 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1)[NH+](C)C ZINC000161858691 402401760 /nfs/dbraw/zinc/40/17/60/402401760.db2.gz OABXDNADDOXNDF-AWEZNQCLSA-N 1 0 301.394 2.449 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000163439946 402449937 /nfs/dbraw/zinc/44/99/37/402449937.db2.gz JNFFOEVKVIXLJD-HIFRSBDPSA-N 1 0 306.406 2.177 10 0 DEAERO CC(C)COc1cncc(NCCCC[NH+]2CCOCC2)n1 ZINC000177511761 402411268 /nfs/dbraw/zinc/41/12/68/402411268.db2.gz TXQHODDUYYLJQA-UHFFFAOYSA-N 1 0 308.426 2.036 10 0 DEAERO COCCCNC(=O)[C@H](C)N1Cc2ccccc2C2(CC2)C1 ZINC000186213296 402411564 /nfs/dbraw/zinc/41/15/64/402411564.db2.gz WEODYIOHVIAKJE-AWEZNQCLSA-N 1 0 302.418 2.075 10 0 DEAERO Cc1ccc(N2CCC([NH2+][C@H]3CCN(C)[C@H](C)C3)CC2)nc1 ZINC000163454506 402450192 /nfs/dbraw/zinc/45/01/92/402450192.db2.gz FKNGOKXCQXWAFS-WBVHZDCISA-N 1 0 302.466 2.431 10 0 DEAERO COCCOc1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1 ZINC000162622177 402426680 /nfs/dbraw/zinc/42/66/80/402426680.db2.gz YGVZEBXLSBLPMM-UHFFFAOYSA-N 1 0 320.433 2.012 10 0 DEAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)Nc1ccccc1C ZINC000186389732 402427162 /nfs/dbraw/zinc/42/71/62/402427162.db2.gz GHPNBMXAEDVDEG-QGZVFWFLSA-N 1 0 304.390 2.351 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000177702601 402428315 /nfs/dbraw/zinc/42/83/15/402428315.db2.gz IZWRLFMJUKMWCV-IAGOWNOFSA-N 1 0 301.434 2.208 10 0 DEAERO CC(C)(C)n1nccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000186459356 402432840 /nfs/dbraw/zinc/43/28/40/402432840.db2.gz DXCBAGHNBRFABH-CYBMUJFWSA-N 1 0 305.426 2.340 10 0 DEAERO O=C(CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)Nc1ccccc1 ZINC000238032461 402433227 /nfs/dbraw/zinc/43/32/27/402433227.db2.gz WGMCREASLCEPHY-BPUTZDHNSA-N 1 0 315.417 2.052 10 0 DEAERO O=C(CCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)c1cccs1 ZINC000186527946 402439099 /nfs/dbraw/zinc/43/90/99/402439099.db2.gz PWVKSBPIECPBJF-GFCCVEGCSA-N 1 0 306.431 2.454 10 0 DEAERO O=C(c1cc(-c2cccs2)n[nH]1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186531751 402439528 /nfs/dbraw/zinc/43/95/28/402439528.db2.gz QGSHMYFGYWLHEJ-NSHDSACASA-N 1 0 316.430 2.495 10 0 DEAERO O=C(c1ccc(Br)cn1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186561309 402441731 /nfs/dbraw/zinc/44/17/31/402441731.db2.gz CJKVKQQLIHLMHI-LLVKDONJSA-N 1 0 324.222 2.201 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)CCc1nccs1 ZINC000163332730 402447318 /nfs/dbraw/zinc/44/73/18/402447318.db2.gz YPMANHCBPHHBOV-CYBMUJFWSA-N 1 0 312.483 2.447 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1cccc(F)c1 ZINC000177315440 402390407 /nfs/dbraw/zinc/39/04/07/402390407.db2.gz HCHOTSKTYPPXHS-INIZCTEOSA-N 1 0 307.413 2.494 10 0 DEAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000177332450 402391898 /nfs/dbraw/zinc/39/18/98/402391898.db2.gz CNFDDSJXDLRMEA-ZIAGYGMSSA-N 1 0 321.446 2.346 10 0 DEAERO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCc1ccccn1 ZINC000185953421 402392431 /nfs/dbraw/zinc/39/24/31/402392431.db2.gz 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Cc1ncsc1CC[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000172536969 402661694 /nfs/dbraw/zinc/66/16/94/402661694.db2.gz ZGPUIQFPMJNUSV-CYBMUJFWSA-N 1 0 309.479 2.179 10 0 DEAERO C[N@H+](C[C@H](O)C1CCCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000191333886 402661727 /nfs/dbraw/zinc/66/17/27/402661727.db2.gz OVMHXBMXUDGPER-SJORKVTESA-N 1 0 318.465 2.318 10 0 DEAERO C[C@H](C(=O)NCC1CCCCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172541839 402661809 /nfs/dbraw/zinc/66/18/09/402661809.db2.gz KEVYPTRYNIEBFL-OAHLLOKOSA-N 1 0 307.482 2.242 10 0 DEAERO Cc1ncsc1CC[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000172536973 402661843 /nfs/dbraw/zinc/66/18/43/402661843.db2.gz ZGPUIQFPMJNUSV-ZDUSSCGKSA-N 1 0 309.479 2.179 10 0 DEAERO CO[C@H](C)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000182028652 402664860 /nfs/dbraw/zinc/66/48/60/402664860.db2.gz XGHCJTCJIHAQLO-LLVKDONJSA-N 1 0 314.227 2.001 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c(=O)c2ccccc12 ZINC000253587130 402669072 /nfs/dbraw/zinc/66/90/72/402669072.db2.gz JRARNRMCGDVJQY-OLZOCXBDSA-N 1 0 311.385 2.249 10 0 DEAERO CN1CCC(CNC(=O)[C@@H]2CC=CCC2)([NH+]2CCCCC2)CC1 ZINC000172754189 402673698 /nfs/dbraw/zinc/67/36/98/402673698.db2.gz JPFNMRYDVLWLEU-QGZVFWFLSA-N 1 0 319.493 2.409 10 0 DEAERO CN1CCC(CNC(=O)C[C@H]2C=CCC2)([NH+]2CCCCC2)CC1 ZINC000172750947 402673768 /nfs/dbraw/zinc/67/37/68/402673768.db2.gz ZTTZZNKUXQWLAU-KRWDZBQOSA-N 1 0 319.493 2.409 10 0 DEAERO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172800551 402675891 /nfs/dbraw/zinc/67/58/91/402675891.db2.gz DVICQXBLWDNBMY-TZMCWYRMSA-N 1 0 323.387 2.462 10 0 DEAERO Cn1nnc2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc21 ZINC000182253292 402676438 /nfs/dbraw/zinc/67/64/38/402676438.db2.gz CYMJVZDORNAFCG-KRWDZBQOSA-N 1 0 323.400 2.001 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CN(C)CCO1)CCS2 ZINC000191529313 402676611 /nfs/dbraw/zinc/67/66/11/402676611.db2.gz AZMXPCDQMABJFZ-DZGCQCFKSA-N 1 0 308.447 2.152 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NCCC1=CCCCC1 ZINC000172805468 402676739 /nfs/dbraw/zinc/67/67/39/402676739.db2.gz MBBFJVYLJNBPSR-QGZVFWFLSA-N 1 0 305.466 2.163 10 0 DEAERO Cc1ccc(Cl)c(OC[C@H](O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000182358578 402683498 /nfs/dbraw/zinc/68/34/98/402683498.db2.gz WIRAUNSRFLOULP-HUUCEWRRSA-N 1 0 324.852 2.168 10 0 DEAERO CCOc1cc(/C=C/C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1O ZINC000182391051 402686297 /nfs/dbraw/zinc/68/62/97/402686297.db2.gz LEFQQOKKIRKCQL-PMGBHYCQSA-N 1 0 316.401 2.111 10 0 DEAERO CN(CC[NH+]1CCC(n2cncn2)CC1)Cc1ccc(F)cc1 ZINC000173206540 402688402 /nfs/dbraw/zinc/68/84/02/402688402.db2.gz BPKHLQKXWGEIBG-UHFFFAOYSA-N 1 0 317.412 2.186 10 0 DEAERO Cc1ccccc1CS(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173276701 402690534 /nfs/dbraw/zinc/69/05/34/402690534.db2.gz FSTRGRURAJIGMD-ZBFHGGJFSA-N 1 0 310.463 2.239 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)c1 ZINC000173278982 402690957 /nfs/dbraw/zinc/69/09/57/402690957.db2.gz SYVQDDPBAFEEJN-CHWSQXEVSA-N 1 0 314.426 2.237 10 0 DEAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000173292018 402691048 /nfs/dbraw/zinc/69/10/48/402691048.db2.gz SQALXNPANKQNBI-KRWDZBQOSA-N 1 0 319.424 2.068 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000182476588 402693328 /nfs/dbraw/zinc/69/33/28/402693328.db2.gz WMJCLXMPBGSVAM-KQMXJJGSSA-N 1 0 304.438 2.262 10 0 DEAERO Cc1n[nH]c(C)c1C[C@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000173351718 402693788 /nfs/dbraw/zinc/69/37/88/402693788.db2.gz SDCGNHHCTOSBLE-RJPYNODJSA-N 1 0 318.465 2.337 10 0 DEAERO Fc1ccc(SCC[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173938465 402720553 /nfs/dbraw/zinc/72/05/53/402720553.db2.gz IWKMJUZSTMHXAU-HNNXBMFYSA-N 1 0 310.438 2.324 10 0 DEAERO CC[C@@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@H]1N1CCOCC1 ZINC000262047909 402721847 /nfs/dbraw/zinc/72/18/47/402721847.db2.gz ZGJZETSYIHOOCF-CRAIPNDOSA-N 1 0 315.461 2.197 10 0 DEAERO CCOc1ccc(CN2CCN(Cc3cocn3)CC2)cc1 ZINC000191924076 402699166 /nfs/dbraw/zinc/69/91/66/402699166.db2.gz JFBNBCAHCCMAKU-UHFFFAOYSA-N 1 0 301.390 2.391 10 0 DEAERO COc1cccc(F)c1[C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173509296 402700560 /nfs/dbraw/zinc/70/05/60/402700560.db2.gz GWDOQBHASYPTCD-QWHCGFSZSA-N 1 0 321.396 2.385 10 0 DEAERO CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000173522186 402700746 /nfs/dbraw/zinc/70/07/46/402700746.db2.gz YLJWCLAGVLEHFV-IAGOWNOFSA-N 1 0 304.434 2.215 10 0 DEAERO O[C@@]1(c2ccccn2)CCOC2(CC[NH+](CC3CC3)CC2)C1 ZINC000257176364 402700833 /nfs/dbraw/zinc/70/08/33/402700833.db2.gz SKUWSIWFHHOMSI-SFHVURJKSA-N 1 0 302.418 2.324 10 0 DEAERO COC(=O)[C@H](C)CN(C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000173539543 402702210 /nfs/dbraw/zinc/70/22/10/402702210.db2.gz SZIKBXUSFRBCHP-GFCCVEGCSA-N 1 0 305.353 2.252 10 0 DEAERO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000182906363 402725728 /nfs/dbraw/zinc/72/57/28/402725728.db2.gz GKYVWGPZFPPHLZ-UKRRQHHQSA-N 1 0 316.405 2.114 10 0 DEAERO CCCCc1nc(CN2CC[NH+](C[C@@H](O)CC)CC2)cs1 ZINC000174077066 402725877 /nfs/dbraw/zinc/72/58/77/402725877.db2.gz KXLDBTGRKPIMJH-HNNXBMFYSA-N 1 0 311.495 2.374 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)COc1cccc2cccnc21 ZINC000182906645 402726033 /nfs/dbraw/zinc/72/60/33/402726033.db2.gz AEBJHOSHGUDKEK-OKILXGFUSA-N 1 0 313.401 2.165 10 0 DEAERO CN1CC[NH+]([C@@H]2CCCCN(Cc3cccc(Cl)n3)C2)CC1 ZINC000182909666 402726124 /nfs/dbraw/zinc/72/61/24/402726124.db2.gz ZPDORLPDECUTIJ-MRXNPFEDSA-N 1 0 322.884 2.337 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)COc1cccc2cccnc21 ZINC000182906680 402726403 /nfs/dbraw/zinc/72/64/03/402726403.db2.gz AEBJHOSHGUDKEK-ZIAGYGMSSA-N 1 0 313.401 2.165 10 0 DEAERO CC(C)c1cnc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)s1 ZINC000192395223 402727114 /nfs/dbraw/zinc/72/71/14/402727114.db2.gz PLXXRZRUVXSWPP-LLVKDONJSA-N 1 0 312.439 2.061 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)CCc2nc(C(C)(C)C)no2)C1 ZINC000174143618 402728481 /nfs/dbraw/zinc/72/84/81/402728481.db2.gz AUEMOBLQVMSAOD-CYBMUJFWSA-N 1 0 322.453 2.242 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c(Cl)cc1F ZINC000262753896 402729951 /nfs/dbraw/zinc/72/99/51/402729951.db2.gz HDFXETBGQAYBJS-VHSXEESVSA-N 1 0 320.817 2.158 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)Oc2ccc(F)cc2)C1 ZINC000174233892 402732642 /nfs/dbraw/zinc/73/26/42/402732642.db2.gz NMXBPVRJAKDTCG-HIFRSBDPSA-N 1 0 323.412 2.377 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(C(F)(F)F)CC2)C1 ZINC000174232483 402732711 /nfs/dbraw/zinc/73/27/11/402732711.db2.gz JXCOYTXSZOQQOF-LBPRGKRZSA-N 1 0 307.360 2.455 10 0 DEAERO COC[C@H](C)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000174370141 402738281 /nfs/dbraw/zinc/73/82/81/402738281.db2.gz HQVHZVIWFODBJM-ZDUSSCGKSA-N 1 0 303.406 2.424 10 0 DEAERO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)[C@@H]1CCCO1 ZINC000183174728 402744215 /nfs/dbraw/zinc/74/42/15/402744215.db2.gz IUTBZZXTCBNGIT-YOEHRIQHSA-N 1 0 302.418 2.335 10 0 DEAERO C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192715777 402745792 /nfs/dbraw/zinc/74/57/92/402745792.db2.gz MMEPCXNATLOULO-GFCCVEGCSA-N 1 0 310.438 2.049 10 0 DEAERO Cc1cnc([C@@H](C)CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)s1 ZINC000183193020 402746341 /nfs/dbraw/zinc/74/63/41/402746341.db2.gz NPUIRPNOXRHMJG-GXTWGEPZSA-N 1 0 320.462 2.211 10 0 DEAERO CC[C@@H]1CN(C(=O)c2ccc(SC)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174591114 402747834 /nfs/dbraw/zinc/74/78/34/402747834.db2.gz CZFZWRQDAIXFQR-UKRRQHHQSA-N 1 0 322.474 2.326 10 0 DEAERO CC[C@H]1CN(C(=O)c2cccc3c2CCC3)CC[N@@H+]1C[C@@H](C)O ZINC000174608670 402748278 /nfs/dbraw/zinc/74/82/78/402748278.db2.gz PSKQTKVKYNVNNN-ZBFHGGJFSA-N 1 0 316.445 2.093 10 0 DEAERO CC[C@@H](Oc1ccccc1F)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263238965 402748917 /nfs/dbraw/zinc/74/89/17/402748917.db2.gz OJQWUHFVGFPGBE-QWHCGFSZSA-N 1 0 320.368 2.315 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000174622967 402748954 /nfs/dbraw/zinc/74/89/54/402748954.db2.gz AQJOOTMVSNETJI-HNNXBMFYSA-N 1 0 323.437 2.403 10 0 DEAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000263239841 402749179 /nfs/dbraw/zinc/74/91/79/402749179.db2.gz OKQZYRJAQUMYFU-BXKDBHETSA-N 1 0 308.731 2.029 10 0 DEAERO Cc1ccc(SCCc2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263245757 402749676 /nfs/dbraw/zinc/74/96/76/402749676.db2.gz PGHJUNJIZZFAKE-CQSZACIVSA-N 1 0 318.446 2.289 10 0 DEAERO Cn1c2ccc(NC(=O)[C@H]3CC(F)(F)CN3)cc2nc1C1CC1 ZINC000263250175 402750002 /nfs/dbraw/zinc/75/00/02/402750002.db2.gz PTUVZLMNMIWURS-GFCCVEGCSA-N 1 0 320.343 2.386 10 0 DEAERO CC(C)OCc1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263256307 402751172 /nfs/dbraw/zinc/75/11/72/402751172.db2.gz QNOOCQOMGSUFRE-HNNXBMFYSA-N 1 0 316.405 2.238 10 0 DEAERO Cc1csc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000174661822 402751300 /nfs/dbraw/zinc/75/13/00/402751300.db2.gz RMUVPCALZSCOSU-QWHCGFSZSA-N 1 0 306.435 2.168 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(OCC3CC3)cc2)n1 ZINC000263276845 402753301 /nfs/dbraw/zinc/75/33/01/402753301.db2.gz SYHZFMJDWPKRBS-OAHLLOKOSA-N 1 0 314.389 2.102 10 0 DEAERO COc1ccc([C@H](C)Cc2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263295425 402755282 /nfs/dbraw/zinc/75/52/82/402755282.db2.gz WEVIMTQTYOYURA-DOMZBBRYSA-N 1 0 316.405 2.001 10 0 DEAERO CC[C@@H](C)NC(=O)CN(CC(=O)N[C@@H](C)CC)C1CCCC1 ZINC000192937725 402757626 /nfs/dbraw/zinc/75/76/26/402757626.db2.gz GFXOJDOKGAZHCE-OKILXGFUSA-N 1 0 311.470 2.060 10 0 DEAERO CCCn1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000183334470 402757766 /nfs/dbraw/zinc/75/77/66/402757766.db2.gz HHYCPAKCYPBONL-DLBZAZTESA-N 1 0 312.417 2.468 10 0 DEAERO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H](C)C(C)C)CC1 ZINC000183385361 402761932 /nfs/dbraw/zinc/76/19/32/402761932.db2.gz IMSAYICAORVGCL-KBPBESRZSA-N 1 0 312.454 2.201 10 0 DEAERO c1coc(-c2ncc(C[NH2+][C@@H]3CCc4ncnn4C3)s2)c1 ZINC000193092024 402764137 /nfs/dbraw/zinc/76/41/37/402764137.db2.gz DGGQTVQAKLLMLA-SNVBAGLBSA-N 1 0 301.375 2.099 10 0 DEAERO COc1ncc(C)cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174964642 402767254 /nfs/dbraw/zinc/76/72/54/402767254.db2.gz QFBILLIQMZHTAG-OLZOCXBDSA-N 1 0 306.410 2.345 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCCCN(C)c1ccccc1 ZINC000183478999 402770751 /nfs/dbraw/zinc/77/07/51/402770751.db2.gz HYMNPLIRDBUYPM-UHFFFAOYSA-N 1 0 312.417 2.404 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1ccccc1F ZINC000175053207 402774657 /nfs/dbraw/zinc/77/46/57/402774657.db2.gz SRQCIVWCZQGPAW-HZPDHXFCSA-N 1 0 319.424 2.001 10 0 DEAERO CCc1ccc(CCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000175071017 402776392 /nfs/dbraw/zinc/77/63/92/402776392.db2.gz YQXANLUZFOCTQJ-SFHVURJKSA-N 1 0 313.445 2.447 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC000183585941 402778850 /nfs/dbraw/zinc/77/88/50/402778850.db2.gz MPABVGVKNLFUAQ-LSDHHAIUSA-N 1 0 303.406 2.225 10 0 DEAERO CSc1nnc(CCC[NH2+]Cc2cocn2)n1CC(C)C ZINC000192312910 402722139 /nfs/dbraw/zinc/72/21/39/402722139.db2.gz ANIUYJQWYHEICG-UHFFFAOYSA-N 1 0 309.439 2.366 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1coc(Br)c1 ZINC000262303376 402723994 /nfs/dbraw/zinc/72/39/94/402723994.db2.gz LMUANNNXWXASPD-WPRPVWTQSA-N 1 0 301.184 2.384 10 0 DEAERO Cc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](CC(N)=O)C3)n2)c1 ZINC000175242526 402790815 /nfs/dbraw/zinc/79/08/15/402790815.db2.gz USMDSFHZUDUZMM-ZDUSSCGKSA-N 1 0 314.389 2.132 10 0 DEAERO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(C)c(OC)c1)CC2 ZINC000194298462 402790860 /nfs/dbraw/zinc/79/08/60/402790860.db2.gz OAPDLAOHTCZZPV-AWEZNQCLSA-N 1 0 300.406 2.262 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183811105 402799706 /nfs/dbraw/zinc/79/97/06/402799706.db2.gz BSMJSQDFTCJDIK-AWEZNQCLSA-N 1 0 313.401 2.483 10 0 DEAERO CC(C)(C)n1nc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C1CC1 ZINC000195334113 402842523 /nfs/dbraw/zinc/84/25/23/402842523.db2.gz FIBHAXPBTCAFKI-CQSZACIVSA-N 1 0 316.449 2.436 10 0 DEAERO Cc1cc(C)c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000175420732 402805447 /nfs/dbraw/zinc/80/54/47/402805447.db2.gz XQHZAHKZKNOZOR-ZDUSSCGKSA-N 1 0 308.422 2.061 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)OCc2cccc(OC)c2)C1 ZINC000194659263 402808810 /nfs/dbraw/zinc/80/88/10/402808810.db2.gz LHJOURDINSRPDE-GDBMZVCRSA-N 1 0 320.433 2.201 10 0 DEAERO CC[C@H](C)[C@H](C)C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000184061201 402815280 /nfs/dbraw/zinc/81/52/80/402815280.db2.gz OXGIXCLCXXXGMG-ULQDDVLXSA-N 1 0 309.498 2.297 10 0 DEAERO [NH3+]CCc1nc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)cs1 ZINC000194815265 402817020 /nfs/dbraw/zinc/81/70/20/402817020.db2.gz WSEVVSSAOAUCBA-CYBMUJFWSA-N 1 0 323.462 2.208 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)N(C)C2CC[NH+](C)CC2)s1 ZINC000175567171 402817812 /nfs/dbraw/zinc/81/78/12/402817812.db2.gz WJXGCLBZJNCZTN-NSHDSACASA-N 1 0 311.451 2.325 10 0 DEAERO Cc1ccccc1OCC[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175587026 402819572 /nfs/dbraw/zinc/81/95/72/402819572.db2.gz HPBUVYSSYQHUKU-DLBZAZTESA-N 1 0 304.434 2.026 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000263926771 402821374 /nfs/dbraw/zinc/82/13/74/402821374.db2.gz 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CC(C)CN(C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1)C1CC1 ZINC000195507462 402848205 /nfs/dbraw/zinc/84/82/05/402848205.db2.gz CDMKGYGYNQIRQI-UHFFFAOYSA-N 1 0 304.438 2.236 10 0 DEAERO C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000176020641 402848247 /nfs/dbraw/zinc/84/82/47/402848247.db2.gz UFJOCLUZHKPRHF-ZIAGYGMSSA-N 1 0 309.454 2.212 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cccc2c1OCO2 ZINC000184525233 402849431 /nfs/dbraw/zinc/84/94/31/402849431.db2.gz XJAKGARFMMGYOR-DZGCQCFKSA-N 1 0 316.401 2.043 10 0 DEAERO c1cn(Cc2ccccc2)c(C[NH2+][C@H]2CCc3nc[nH]c3C2)n1 ZINC000566590954 292254090 /nfs/dbraw/zinc/25/40/90/292254090.db2.gz NSVDJOFGPJBZKB-HNNXBMFYSA-N 1 0 307.401 2.302 10 0 DEAERO C/C(=C/c1ccc(F)cc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000267290410 403033229 /nfs/dbraw/zinc/03/32/29/403033229.db2.gz ZPKAQURTDZHVHG-YPKPFQOOSA-N 1 0 320.408 2.192 10 0 DEAERO C[C@H]1C[C@@H](C(=O)Nc2ccc(OC3COC3)cc2)CC[N@@H+]1C ZINC000283555201 403205703 /nfs/dbraw/zinc/20/57/03/403205703.db2.gz 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CCOc1cc2c(cc1NC(=O)N1CC[NH2+]C[C@H]1C)O[C@@H](C)C2 ZINC000333153799 403679767 /nfs/dbraw/zinc/67/97/67/403679767.db2.gz MSFDGXYAAJZMMW-NEPJUHHUSA-N 1 0 319.405 2.234 10 0 DEAERO Cc1cc2c(cc1NC(=O)N1CCC3(CC[NH2+]C3)CC1)OCO2 ZINC000333193198 403691347 /nfs/dbraw/zinc/69/13/47/403691347.db2.gz VOPVXIMNVIFUNP-UHFFFAOYSA-N 1 0 317.389 2.331 10 0 DEAERO COc1ncc(C)cc1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333196502 403691786 /nfs/dbraw/zinc/69/17/86/403691786.db2.gz UGCNEAZOHFPBOI-CQSZACIVSA-N 1 0 318.421 2.395 10 0 DEAERO C[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000333204301 403694061 /nfs/dbraw/zinc/69/40/61/403694061.db2.gz YPQCCMJYUGXNHL-LBPRGKRZSA-N 1 0 304.394 2.229 10 0 DEAERO O=C(Nc1cnc2c(c1)CCCC2)N1CCC2(CC[NH2+]2)CC1 ZINC000333243488 403705427 /nfs/dbraw/zinc/70/54/27/403705427.db2.gz FGUJZBPHHUHCGQ-UHFFFAOYSA-N 1 0 300.406 2.320 10 0 DEAERO Cc1nc2c(c(N3CCCC[C@H]3[C@H]3CNC(=O)C3)n1)CCCC2 ZINC000302102872 403707788 /nfs/dbraw/zinc/70/77/88/403707788.db2.gz QMBNNXGKXBLHBT-CJNGLKHVSA-N 1 0 314.433 2.159 10 0 DEAERO Cc1cc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn2ccnc12 ZINC000333272819 403713430 /nfs/dbraw/zinc/71/34/30/403713430.db2.gz GIQSYOZNGJDMCX-QEJZJMRPSA-N 1 0 313.405 2.234 10 0 DEAERO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3csc(NC4CC4)n3)C2)C1 ZINC000294369574 403715590 /nfs/dbraw/zinc/71/55/90/403715590.db2.gz ZIAFBPDXXHCAMN-INIZCTEOSA-N 1 0 320.462 2.275 10 0 DEAERO COc1cc(CNC(=O)N2CCC3(CC[NH2+]3)CC2)ccc1C ZINC000333287114 403716823 /nfs/dbraw/zinc/71/68/23/403716823.db2.gz NRHDOQCLDXGBMV-UHFFFAOYSA-N 1 0 303.406 2.041 10 0 DEAERO CC[N@H+](C)[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000302755829 403722435 /nfs/dbraw/zinc/72/24/35/403722435.db2.gz IQIDPCCHYDEVJM-LBPRGKRZSA-N 1 0 318.389 2.213 10 0 DEAERO FC(F)(F)c1cnc(NC[C@@H]2CN(C3CC3)CCO2)s1 ZINC000302785053 403726540 /nfs/dbraw/zinc/72/65/40/403726540.db2.gz VEJNHLJMWCHBPX-SECBINFHSA-N 1 0 307.341 2.437 10 0 DEAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000303678967 403756324 /nfs/dbraw/zinc/75/63/24/403756324.db2.gz SFUTVMAYURVOLU-MANSERQUSA-N 1 0 319.445 2.190 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCc2nnnn2CC1)c1nc2c(s1)CCCC2 ZINC000333681687 403813866 /nfs/dbraw/zinc/81/38/66/403813866.db2.gz FGNZGXYUKUVHEV-GHMZBOCLSA-N 1 0 318.450 2.064 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000333629940 403797679 /nfs/dbraw/zinc/79/76/79/403797679.db2.gz GKXHBVPWBPWVSM-QLFBSQMISA-N 1 0 309.454 2.118 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000333634288 403798763 /nfs/dbraw/zinc/79/87/63/403798763.db2.gz HDAZLNSJTPSPRB-YUELXQCFSA-N 1 0 302.422 2.172 10 0 DEAERO CC1(C)CN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@@H]1c1ccncc1 ZINC000333735459 403837865 /nfs/dbraw/zinc/83/78/65/403837865.db2.gz WVHQWLGDCRTJPQ-HUUCEWRRSA-N 1 0 302.422 2.316 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N[C@H]1CCCOc2c(F)cccc21 ZINC000333817081 403871860 /nfs/dbraw/zinc/87/18/60/403871860.db2.gz QNQBZAAROCCABI-DOMZBBRYSA-N 1 0 321.396 2.481 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)O)C1 ZINC000309904262 403964104 /nfs/dbraw/zinc/96/41/04/403964104.db2.gz PUIHVIJYCQJABJ-ZDUSSCGKSA-N 1 0 300.443 2.384 10 0 DEAERO CCOC[C@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000313284301 403980507 /nfs/dbraw/zinc/98/05/07/403980507.db2.gz DSCJQEASWFYWGQ-MSOLQXFVSA-N 1 0 307.434 2.455 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000312394588 403972544 /nfs/dbraw/zinc/97/25/44/403972544.db2.gz DBZHJBMEWCVALZ-NOZJJQNGSA-N 1 0 320.817 2.085 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H]2COCC2(C)C)c1C ZINC000411799667 403972664 /nfs/dbraw/zinc/97/26/64/403972664.db2.gz WJTLSKAUQKRYMR-WCQYABFASA-N 1 0 306.406 2.420 10 0 DEAERO COCCC1(C)CN(C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000358480198 292299542 /nfs/dbraw/zinc/29/95/42/292299542.db2.gz NQHDAEFQQMCQGI-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296356835 404211207 /nfs/dbraw/zinc/21/12/07/404211207.db2.gz FMUYKBOZOMTCMY-ABDJAZHISA-N 1 0 320.408 2.192 10 0 DEAERO CC(=O)N1CC[N@H+](CCn2cc(C)cn2)CC12CCCCC2 ZINC000341901321 404243273 /nfs/dbraw/zinc/24/32/73/404243273.db2.gz CKVFTRBCSUIEPC-UHFFFAOYSA-N 1 0 304.438 2.059 10 0 DEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(Br)c1F ZINC000296862866 404346811 /nfs/dbraw/zinc/34/68/11/404346811.db2.gz PCCVWDNHHQRZOU-KCJUWKMLSA-N 1 0 315.186 2.345 10 0 DEAERO CCC1(CC)[C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)[C@H](C)[C@@H]1OC ZINC000329306957 404297032 /nfs/dbraw/zinc/29/70/32/404297032.db2.gz YBQJLAMUTXMZFV-ZCDTZLGTSA-N 1 0 306.454 2.331 10 0 DEAERO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@@H]1c1nncn1C ZINC000329759002 404443960 /nfs/dbraw/zinc/44/39/60/404443960.db2.gz OIHYBUHMXGWUMA-MRXNPFEDSA-N 1 0 323.404 2.041 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)N(C)C)cc1F ZINC000342250103 404466908 /nfs/dbraw/zinc/46/69/08/404466908.db2.gz YZTMPERWTNVMRV-GFCCVEGCSA-N 1 0 302.415 2.066 10 0 DEAERO Cc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)nc(N2CCCC2)n1 ZINC000330210121 404587879 /nfs/dbraw/zinc/58/78/79/404587879.db2.gz CEPHBMSPWONYKS-JYJNAYRXSA-N 1 0 316.449 2.288 10 0 DEAERO COc1cccc([C@@H](C)N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262114014 286461672 /nfs/dbraw/zinc/46/16/72/286461672.db2.gz WRYZZXLSHADQIF-VQIMIIECSA-N 1 0 317.477 2.373 10 0 DEAERO c1[nH+]cn2ccc(-c3noc(-c4cn(C5CCC5)nn4)n3)cc12 ZINC000351408495 404579000 /nfs/dbraw/zinc/57/90/00/404579000.db2.gz KRLVWRPFDONNLJ-UHFFFAOYSA-N 1 0 307.317 2.368 10 0 DEAERO CCOC(=O)[C@](C)(O)C[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000365390539 404645233 /nfs/dbraw/zinc/64/52/33/404645233.db2.gz JSXCHHRXVFSUBO-GOSISDBHSA-N 1 0 319.401 2.098 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000291994553 404617474 /nfs/dbraw/zinc/61/74/74/404617474.db2.gz UGVSXDHFRWFOPX-KRWDZBQOSA-N 1 0 320.396 2.420 10 0 DEAERO Cn1ccnc1[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)C1CC1 ZINC000373894671 404629757 /nfs/dbraw/zinc/62/97/57/404629757.db2.gz XYBNDQZLCLTYHD-PMPSAXMXSA-N 1 0 316.449 2.252 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000415267117 404837392 /nfs/dbraw/zinc/83/73/92/404837392.db2.gz MTHBUBPBMWCXLF-LRDDRELGSA-N 1 0 318.421 2.260 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCC23CCC3)C1 ZINC000376098626 404802126 /nfs/dbraw/zinc/80/21/26/404802126.db2.gz QKUUXBAYZSZIKY-HNNXBMFYSA-N 1 0 309.454 2.071 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](CCCc2cccc(F)c2)CC12COC2 ZINC000451132987 404874717 /nfs/dbraw/zinc/87/47/17/404874717.db2.gz JKOJTQYPAZNBBX-INIZCTEOSA-N 1 0 321.392 2.270 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)N(C)CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000367009406 404896705 /nfs/dbraw/zinc/89/67/05/404896705.db2.gz GMKOPSNTZTWFGZ-RDJZCZTQSA-N 1 0 319.449 2.063 10 0 DEAERO c1nc(-c2ccncc2)sc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000353675719 404915425 /nfs/dbraw/zinc/91/54/25/404915425.db2.gz VLVOIQSPYOBTJC-DZGCQCFKSA-N 1 0 300.431 2.389 10 0 DEAERO C[C@H](c1ccco1)N(C)C(=O)NC[C@H]1CCc2nccn2C1 ZINC000378457919 404971134 /nfs/dbraw/zinc/97/11/34/404971134.db2.gz DVNFANADUIXJNZ-CHWSQXEVSA-N 1 0 302.378 2.441 10 0 DEAERO CC(C)n1ncnc1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381003178 405031068 /nfs/dbraw/zinc/03/10/68/405031068.db2.gz PNOMZAQQVSFYBQ-QGZVFWFLSA-N 1 0 313.449 2.471 10 0 DEAERO CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408032450 405094014 /nfs/dbraw/zinc/09/40/14/405094014.db2.gz XDSFVSPIXYUAIU-LZUXJJCOSA-N 1 0 320.477 2.307 10 0 DEAERO CN(CC1CC1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000361379330 405046624 /nfs/dbraw/zinc/04/66/24/405046624.db2.gz USFOEQNRRUFAOF-ZACQAIPSSA-N 1 0 308.466 2.260 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000407994711 405086320 /nfs/dbraw/zinc/08/63/20/405086320.db2.gz CHMFIXAWAXDRDG-KGLIPLIRSA-N 1 0 305.426 2.123 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000408097822 405111114 /nfs/dbraw/zinc/11/11/14/405111114.db2.gz NYOVWBJERWLAPF-UKRRQHHQSA-N 1 0 324.446 2.225 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2cnc3ccccc3c2O)CC[N@@H+]1C ZINC000408226109 405145137 /nfs/dbraw/zinc/14/51/37/405145137.db2.gz LZAFTDCNROHDCX-CHWSQXEVSA-N 1 0 313.401 2.083 10 0 DEAERO CCc1nc(C2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCCC2)no1 ZINC000408274224 405158449 /nfs/dbraw/zinc/15/84/49/405158449.db2.gz XAOIPXZBVFZMDK-STQMWFEESA-N 1 0 320.437 2.248 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@@](C)(O)CC2)CC1 ZINC000408287890 405162592 /nfs/dbraw/zinc/16/25/92/405162592.db2.gz VHPVQVQEFCRCCT-QGZVFWFLSA-N 1 0 311.470 2.055 10 0 DEAERO C[C@H]1CC([NH2+][C@@H]2CCCN(c3ncc[nH]c3=O)C2)C[C@H](C)C1 ZINC000408394938 405196201 /nfs/dbraw/zinc/19/62/01/405196201.db2.gz LCJWCIMVQOMCRH-MGPQQGTHSA-N 1 0 304.438 2.153 10 0 DEAERO CCc1nc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)no1 ZINC000408331032 405175048 /nfs/dbraw/zinc/17/50/48/405175048.db2.gz VMQVQJLVGHFNRS-UHFFFAOYSA-N 1 0 320.437 2.360 10 0 DEAERO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCCNc1cc[nH+]cc1 ZINC000439041321 405263631 /nfs/dbraw/zinc/26/36/31/405263631.db2.gz QGXAEWOIAAVKIC-OIISXLGYSA-N 1 0 319.449 2.406 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)c2ccc(O)cc2O)CC1 ZINC000439061168 405264354 /nfs/dbraw/zinc/26/43/54/405264354.db2.gz RIRBWYUGMWYSJG-UHFFFAOYSA-N 1 0 306.406 2.292 10 0 DEAERO C=Cn1cc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cn1 ZINC000425373340 405282481 /nfs/dbraw/zinc/28/24/81/405282481.db2.gz POEZCWQFVQQYRJ-INIZCTEOSA-N 1 0 305.422 2.031 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)NC(=O)CC3)C1 ZINC000438423813 405246593 /nfs/dbraw/zinc/24/65/93/405246593.db2.gz UAASBCYEAZPZKT-GFCCVEGCSA-N 1 0 316.405 2.035 10 0 DEAERO COC1([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)CCOCC1 ZINC000453204738 405289241 /nfs/dbraw/zinc/28/92/41/405289241.db2.gz WLHVKAMVHOZRCP-AWEZNQCLSA-N 1 0 317.433 2.290 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NCCC2CCOCC2)CC1 ZINC000440779949 405326364 /nfs/dbraw/zinc/32/63/64/405326364.db2.gz GHYXBHNMACHJCS-UHFFFAOYSA-N 1 0 311.470 2.223 10 0 DEAERO CN(C)c1ccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)cn1 ZINC000454471150 405350242 /nfs/dbraw/zinc/35/02/42/405350242.db2.gz SIAJPTFHLVSEPM-UHFFFAOYSA-N 1 0 305.426 2.144 10 0 DEAERO c1cncc(C[NH2+]CCCNc2cc(N3CCCC3)ncn2)c1 ZINC000420177731 405292125 /nfs/dbraw/zinc/29/21/25/405292125.db2.gz CPEKALNYBHBVNL-UHFFFAOYSA-N 1 0 312.421 2.064 10 0 DEAERO Cc1nn(C)cc1CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000448774268 405447170 /nfs/dbraw/zinc/44/71/70/405447170.db2.gz KBIMJNSVUZHRIH-ZIAGYGMSSA-N 1 0 320.481 2.144 10 0 DEAERO Cc1nn(C)cc1CC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000448825333 405452644 /nfs/dbraw/zinc/45/26/44/405452644.db2.gz VOJFQLFPKAYQBL-ZQIUZPCESA-N 1 0 318.465 2.135 10 0 DEAERO O=C(CC1(O)CCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000448897606 405461088 /nfs/dbraw/zinc/46/10/88/405461088.db2.gz JHPMMZMFERCRNI-MRXNPFEDSA-N 1 0 308.466 2.406 10 0 DEAERO CC(C)[C@@H]1CN(C(=O)CC2([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000638513414 405519989 /nfs/dbraw/zinc/51/99/89/405519989.db2.gz KXXMFQXLKVYONL-KRWDZBQOSA-N 1 0 315.461 2.237 10 0 DEAERO O=C(C1CCC1)N1CCN(CC[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449145992 405520039 /nfs/dbraw/zinc/52/00/39/405520039.db2.gz AXLYMVKAIYORNV-KRWDZBQOSA-N 1 0 319.493 2.243 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@@H](CO)CC(C)(C)C)CC1 ZINC000458658490 405526783 /nfs/dbraw/zinc/52/67/83/405526783.db2.gz NLHOUEDCMPVOSV-OAHLLOKOSA-N 1 0 311.470 2.077 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(OCC)cc2)CC12COC2 ZINC000449367338 405527156 /nfs/dbraw/zinc/52/71/56/405527156.db2.gz VJFBAWSJTANSAA-INIZCTEOSA-N 1 0 319.401 2.097 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C)sc2C)CC12COC2 ZINC000449367470 405529420 /nfs/dbraw/zinc/52/94/20/405529420.db2.gz WMVUBOHTOVVOJC-AWEZNQCLSA-N 1 0 309.431 2.376 10 0 DEAERO Cc1ccncc1C[NH2+]CCn1cc(Br)ccc1=O ZINC000449381424 405530868 /nfs/dbraw/zinc/53/08/68/405530868.db2.gz YTQMPRUGZODWGO-UHFFFAOYSA-N 1 0 322.206 2.104 10 0 DEAERO CCc1nc2cc(CNC(=O)C[NH2+]C3CC3)ccc2n1C1CC1 ZINC000580433950 405614006 /nfs/dbraw/zinc/61/40/06/405614006.db2.gz GXEDODRWFSQWMW-UHFFFAOYSA-N 1 0 312.417 2.302 10 0 DEAERO CC(C)COC[C@@H](O)C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493969789 405619283 /nfs/dbraw/zinc/61/92/83/405619283.db2.gz PDFQGYUSQAELNP-ADKAHSJRSA-N 1 0 307.434 2.357 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)c2cc(Br)ccc2O)C[NH2+]1 ZINC000638643549 405589630 /nfs/dbraw/zinc/58/96/30/405589630.db2.gz LSKTUPMPROTTCX-SCZZXKLOSA-N 1 0 313.195 2.025 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643182 405590149 /nfs/dbraw/zinc/59/01/49/405590149.db2.gz IGVJPMYYTIBFOJ-VXNVDRBHSA-N 1 0 301.184 2.221 10 0 DEAERO CC(=O)CN(C(=O)C[C@H](n1ccnc1)C(F)(F)F)C(C)C ZINC000635993989 405664432 /nfs/dbraw/zinc/66/44/32/405664432.db2.gz XWKRCWYOKOKMSZ-NSHDSACASA-N 1 0 305.300 2.203 10 0 DEAERO COC(=O)CC1(CC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CCCC1 ZINC000457085420 405688258 /nfs/dbraw/zinc/68/82/58/405688258.db2.gz HFLPEUVWJFJYJO-OAHLLOKOSA-N 1 0 324.465 2.441 10 0 DEAERO C[C@@H]1CN(C(=O)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000638889221 405741686 /nfs/dbraw/zinc/74/16/86/405741686.db2.gz PFRFCKBBUCYVEX-ZYHUDNBSSA-N 1 0 311.223 2.045 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc(F)ccc2Br)C[C@@H]1C[NH3+] ZINC000638893306 405745014 /nfs/dbraw/zinc/74/50/14/405745014.db2.gz YLRVVGFSVAVBHV-BDAKNGLRSA-N 1 0 315.186 2.255 10 0 DEAERO c1c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)nnn1CC1CC1 ZINC000450429269 405892886 /nfs/dbraw/zinc/89/28/86/405892886.db2.gz ZGEYLQRDVQOSMR-QGZVFWFLSA-N 1 0 303.454 2.138 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000457546837 405892917 /nfs/dbraw/zinc/89/29/17/405892917.db2.gz ULOFURAUHVUYOH-UHFFFAOYSA-N 1 0 318.417 2.386 10 0 DEAERO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459286690 405836792 /nfs/dbraw/zinc/83/67/92/405836792.db2.gz XETUFKOERAMCPU-OAHLLOKOSA-N 1 0 322.474 2.325 10 0 DEAERO CO[C@@]1(C[NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CCOC1 ZINC000639072791 405862697 /nfs/dbraw/zinc/86/26/97/405862697.db2.gz ZTGVQJDRJGVFDV-RBUKOAKNSA-N 1 0 318.461 2.436 10 0 DEAERO COCCOC[C@H](O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000450581060 405963920 /nfs/dbraw/zinc/96/39/20/405963920.db2.gz PEDDAWSTPKVATL-QGZVFWFLSA-N 1 0 307.434 2.460 10 0 DEAERO O[C@@H](C[NH2+]CC(c1ccccc1)c1ccccc1)Cn1ccnn1 ZINC000459711713 406014862 /nfs/dbraw/zinc/01/48/62/406014862.db2.gz MHAGKDPHIIQTKH-SFHVURJKSA-N 1 0 322.412 2.061 10 0 DEAERO Brc1cnc2c(C[N@@H+]3CC[C@@H]3C3CC3)cnn2c1 ZINC000639221269 405983146 /nfs/dbraw/zinc/98/31/46/405983146.db2.gz AAIQYAAVOYVMCJ-GFCCVEGCSA-N 1 0 307.195 2.476 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CS1 ZINC000639327189 406047288 /nfs/dbraw/zinc/04/72/88/406047288.db2.gz LMPNHJSMJAYARN-NXHRZFHOSA-N 1 0 319.518 2.286 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](CCCSCC(C)C)CC12COC2 ZINC000451128620 406059225 /nfs/dbraw/zinc/05/92/25/406059225.db2.gz BXZQEMXNFMZHIY-AWEZNQCLSA-N 1 0 315.479 2.277 10 0 DEAERO c1nc2n(n1)[C@@H](C[N@@H+]1CCC[C@H]1c1ccc3c(c1)OCO3)CC2 ZINC000639473998 406105507 /nfs/dbraw/zinc/10/55/07/406105507.db2.gz QVKILVXEUOGHGC-KGLIPLIRSA-N 1 0 312.373 2.331 10 0 DEAERO c1cn(CCCC2CC[NH+](C[C@H]3CCc4ncnn43)CC2)cn1 ZINC000639582565 406155114 /nfs/dbraw/zinc/15/51/14/406155114.db2.gz HWUAWQWSRWBHFM-MRXNPFEDSA-N 1 0 314.437 2.154 10 0 DEAERO CO[C@H](C)[C@@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000519493501 406201629 /nfs/dbraw/zinc/20/16/29/406201629.db2.gz AVCVYJADBPCUBZ-IXYNUQLISA-N 1 0 309.454 2.068 10 0 DEAERO CC[C@H](C[C@H](C)CO)[NH2+]Cc1c(Br)cnn1C ZINC000487302734 406222168 /nfs/dbraw/zinc/22/21/68/406222168.db2.gz RFJQCTQAPDGNFK-VHSXEESVSA-N 1 0 304.232 2.069 10 0 DEAERO CC[C@@H]([NH2+]Cc1c(Br)cnn1C)C1CCOCC1 ZINC000487306337 406222614 /nfs/dbraw/zinc/22/26/14/406222614.db2.gz WUFVAYUBISOHAM-GFCCVEGCSA-N 1 0 316.243 2.477 10 0 DEAERO CC(C)[C@H]1C[C@@H]([NH2+]Cc2c(Br)cnn2C)CCO1 ZINC000487579350 406249780 /nfs/dbraw/zinc/24/97/80/406249780.db2.gz VMOFSYDREUDFKM-GXFFZTMASA-N 1 0 316.243 2.476 10 0 DEAERO Cc1cc(C[C@H](C)NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)[nH]n1 ZINC000487549250 406244781 /nfs/dbraw/zinc/24/47/81/406244781.db2.gz HJAXNIBVERYZHM-AEGPPILISA-N 1 0 321.469 2.211 10 0 DEAERO CO[C@@H](C[NH2+][C@H]1CCCS(=O)(=O)CC1)C1CCCCC1 ZINC000634987334 406386933 /nfs/dbraw/zinc/38/69/33/406386933.db2.gz SIYIEZDYPKHLST-GJZGRUSLSA-N 1 0 303.468 2.139 10 0 DEAERO CO[C@@H](C[NH2+][C@@H]1CCCS(=O)(=O)CC1)C1CCCCC1 ZINC000634987333 406387130 /nfs/dbraw/zinc/38/71/30/406387130.db2.gz SIYIEZDYPKHLST-CABCVRRESA-N 1 0 303.468 2.139 10 0 DEAERO c1cc2c(c([C@@H]3CCCN3CC34CC(C3)C[NH2+]4)c1)OCCO2 ZINC000634992251 406389366 /nfs/dbraw/zinc/38/93/66/406389366.db2.gz JIHOEPIAZSZIPN-DBQDNQAGSA-N 1 0 300.402 2.347 10 0 DEAERO N#Cc1cnccc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000547512211 406418385 /nfs/dbraw/zinc/41/83/85/406418385.db2.gz SXNLJNCBAJFGPN-UHFFFAOYSA-N 1 0 314.433 2.282 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000634969443 406378806 /nfs/dbraw/zinc/37/88/06/406378806.db2.gz NYZFLELIPBNNST-ZIAGYGMSSA-N 1 0 301.452 2.035 10 0 DEAERO [NH3+][C@@H]1CC=C(C(=O)NCc2ccc(Br)s2)C1 ZINC000637930910 406482562 /nfs/dbraw/zinc/48/25/62/406482562.db2.gz BSXLAAUDALCHFW-MRVPVSSYSA-N 1 0 301.209 2.174 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)Cn2ncc3ccccc32)CC1 ZINC000525677581 406494082 /nfs/dbraw/zinc/49/40/82/406494082.db2.gz OEYZKINTIHEDTC-UHFFFAOYSA-N 1 0 314.433 2.275 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000637954257 406494342 /nfs/dbraw/zinc/49/43/42/406494342.db2.gz UZQKAZKHHCXHPE-FGTMMUONSA-N 1 0 315.461 2.237 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2cnn(C)c2C(F)F)CC1 ZINC000525677501 406494439 /nfs/dbraw/zinc/49/44/39/406494439.db2.gz UEYSAHAOWAZZNB-UHFFFAOYSA-N 1 0 314.380 2.210 10 0 DEAERO COc1cccc(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)c1 ZINC000637870346 406454780 /nfs/dbraw/zinc/45/47/80/406454780.db2.gz YUMDMSCOTZYFFC-QGZVFWFLSA-N 1 0 313.401 2.093 10 0 DEAERO CN(C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000637869461 406455627 /nfs/dbraw/zinc/45/56/27/406455627.db2.gz WHGXTTBQFFNVLV-KRWDZBQOSA-N 1 0 303.450 2.237 10 0 DEAERO CC(=O)N(C)c1ccc(NC(=O)c2oc(C[NH3+])cc2C)cc1 ZINC000637874335 406456175 /nfs/dbraw/zinc/45/61/75/406456175.db2.gz BCOLEPLKTTUHDM-UHFFFAOYSA-N 1 0 301.346 2.282 10 0 DEAERO C[C@H](N(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1(C)CC1 ZINC000638042281 406539240 /nfs/dbraw/zinc/53/92/40/406539240.db2.gz QFBXULHXCZBLAX-GOEBONIOSA-N 1 0 303.450 2.093 10 0 DEAERO Cc1cc(C)n(CC[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)n1 ZINC000551944838 406657816 /nfs/dbraw/zinc/65/78/16/406657816.db2.gz BYUOEDBGDBFANZ-CQSZACIVSA-N 1 0 301.394 2.250 10 0 DEAERO CC[C@@](C)(O)C[NH2+]Cc1snc(OC)c1Br ZINC000638330168 406704169 /nfs/dbraw/zinc/70/41/69/406704169.db2.gz STQUIOOAYGCMMI-SNVBAGLBSA-N 1 0 309.229 2.165 10 0 DEAERO CC[N@@H+]1CCN(C(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)[C@H](C)C1 ZINC000553329397 406751128 /nfs/dbraw/zinc/75/11/28/406751128.db2.gz HERAPKWRKANTGY-KGLIPLIRSA-N 1 0 318.465 2.191 10 0 DEAERO c1cc(C[NH2+]CCN2CCN(c3ccccc3)CC2)sn1 ZINC000638339154 406710919 /nfs/dbraw/zinc/71/09/19/406710919.db2.gz KHSLSUNGANWTGM-UHFFFAOYSA-N 1 0 302.447 2.055 10 0 DEAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643618634 407018273 /nfs/dbraw/zinc/01/82/73/407018273.db2.gz WXBFQBBOPASNLL-LLVKDONJSA-N 1 0 317.216 2.188 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000193260563 286909265 /nfs/dbraw/zinc/90/92/65/286909265.db2.gz MXEWUWJMELEZHC-SSDOTTSWSA-N 1 0 306.250 2.457 10 0 DEAERO CC[C@@H]1CCc2nc(NC(=O)C3([NH3+])CCOCC3)sc2C1 ZINC000261909389 287121192 /nfs/dbraw/zinc/12/11/92/287121192.db2.gz SVJQNTIYBQZCOD-SNVBAGLBSA-N 1 0 309.435 2.104 10 0 DEAERO CC(C)C[NH2+]C[C@H](C)[C@@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000128963889 196007856 /nfs/dbraw/zinc/00/78/56/196007856.db2.gz GQYWKYCLNSKRPS-UONOGXRCSA-N 1 0 309.420 2.437 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH3+])[C@@H](OC)C1CC1 ZINC000129130708 196021427 /nfs/dbraw/zinc/02/14/27/196021427.db2.gz JYQQBCPOLRWILA-GWCFXTLKSA-N 1 0 316.243 2.269 10 0 DEAERO [NH3+][C@H](C(=O)Nc1ccc(Br)cn1)c1ccccc1 ZINC000129355012 196041964 /nfs/dbraw/zinc/04/19/64/196041964.db2.gz KPUNZKDOEBYHQC-LBPRGKRZSA-N 1 0 306.163 2.483 10 0 DEAERO C[NH2+]C[C@@H](C)CNC(=O)c1cccc(F)c1Br ZINC000129433543 196047621 /nfs/dbraw/zinc/04/76/21/196047621.db2.gz XLBDUMIFGFSAPB-MRVPVSSYSA-N 1 0 303.175 2.174 10 0 DEAERO C[C@H]1C[N@H+](C)CC[C@@H]1NC(=O)c1cc(Cl)ncc1Cl ZINC000129436630 196048589 /nfs/dbraw/zinc/04/85/89/196048589.db2.gz KIYSAHKBTITVTD-KWQFWETISA-N 1 0 302.205 2.458 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000129580247 196060017 /nfs/dbraw/zinc/06/00/17/196060017.db2.gz KDVRQVWBBGDTPU-GXSJLCMTSA-N 1 0 312.211 2.466 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000129601791 196061701 /nfs/dbraw/zinc/06/17/01/196061701.db2.gz ZZQGWGDEPLQPPC-CYBMUJFWSA-N 1 0 312.211 2.481 10 0 DEAERO CCC[NH2+]C[C@@H]1CCC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129615431 196062294 /nfs/dbraw/zinc/06/22/94/196062294.db2.gz WNKRBWRCIAJDDI-JYJNAYRXSA-N 1 0 316.511 2.464 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1c1nc2cc(Br)cc(C)c2[nH]1 ZINC000129639313 196063852 /nfs/dbraw/zinc/06/38/52/196063852.db2.gz QCOUMSUEIPYQTH-ONGXEEELSA-N 1 0 310.195 2.336 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ncc(C)s2)[C@H](C)C1 ZINC000129700053 196068940 /nfs/dbraw/zinc/06/89/40/196068940.db2.gz XDYLWHMOIUWZDO-YPMHNXCESA-N 1 0 310.467 2.323 10 0 DEAERO C[C@H](CC[S@](C)=O)N1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000129859707 196080312 /nfs/dbraw/zinc/08/03/12/196080312.db2.gz ZZRRDZOOFLJNFR-PTSWNOGYSA-N 1 0 300.512 2.388 10 0 DEAERO C[NH2+]C1(C)CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000129874177 196082880 /nfs/dbraw/zinc/08/28/80/196082880.db2.gz RLSJKOCNZBSNEK-UHFFFAOYSA-N 1 0 302.827 2.103 10 0 DEAERO CCCCOCCOC[C@@H](O)C[NH2+]CCCC(F)(F)F ZINC000130592841 196093649 /nfs/dbraw/zinc/09/36/49/196093649.db2.gz UUSUAXJGCUTBAE-LBPRGKRZSA-N 1 0 301.349 2.113 10 0 DEAERO CCc1cc(C[C@H]([NH3+])c2ccc(Br)cn2)n(C)n1 ZINC000130765112 196108456 /nfs/dbraw/zinc/10/84/56/196108456.db2.gz AZPGUMPIVLXPKZ-LBPRGKRZSA-N 1 0 309.211 2.383 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000130762688 196108713 /nfs/dbraw/zinc/10/87/13/196108713.db2.gz ZWJYLINRDRKGGU-HBNTYKKESA-N 1 0 308.451 2.035 10 0 DEAERO [NH3+]C1CCN([C@@H]2CCN(c3nc4ccccc4s3)C2)CC1 ZINC000130847333 196115233 /nfs/dbraw/zinc/11/52/33/196115233.db2.gz LVGAWECRECICNN-CYBMUJFWSA-N 1 0 302.447 2.298 10 0 DEAERO [NH3+]C1CCN([C@H]2CCN(c3snc4ccccc43)C2)CC1 ZINC000130864699 196117498 /nfs/dbraw/zinc/11/74/98/196117498.db2.gz LGLXUDNBKFYOBH-ZDUSSCGKSA-N 1 0 302.447 2.298 10 0 DEAERO COc1ccc(C[NH3+])c(Sc2nnnn2C2CCCC2)c1 ZINC000130887656 196119883 /nfs/dbraw/zinc/11/98/83/196119883.db2.gz SZNDDIOERRYNKC-UHFFFAOYSA-N 1 0 305.407 2.407 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCC[C@H](C)SC)cc1 ZINC000130937277 196124090 /nfs/dbraw/zinc/12/40/90/196124090.db2.gz YRNCYMRCPQKEKP-RYUDHWBXSA-N 1 0 316.492 2.387 10 0 DEAERO CCc1nsc(S[C@@H](C)C[C@](C)(CO)[NH2+]C2CC2)n1 ZINC000130987034 196129253 /nfs/dbraw/zinc/12/92/53/196129253.db2.gz IHQNZNFSZLDRCH-TVQRCGJNSA-N 1 0 301.481 2.474 10 0 DEAERO CCC[NH2+][C@H](c1cccc2c1OCCC2)[C@H](C)S(C)(=O)=O ZINC000131021435 196132902 /nfs/dbraw/zinc/13/29/02/196132902.db2.gz OCCLLGXPEGYVQE-WFASDCNBSA-N 1 0 311.447 2.485 10 0 DEAERO Brc1cccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000131091087 196138665 /nfs/dbraw/zinc/13/86/65/196138665.db2.gz MZNJIHYQQROEGZ-LLVKDONJSA-N 1 0 310.239 2.418 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C(=O)/C(C)=C/c2ccc(F)cc2)CC1 ZINC000131421353 196166363 /nfs/dbraw/zinc/16/63/63/196166363.db2.gz YKBOUKZVBKDPNM-VSOYFRJCSA-N 1 0 320.408 2.144 10 0 DEAERO CN(C)c1cccc(NS(=O)(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000131321902 196160232 /nfs/dbraw/zinc/16/02/32/196160232.db2.gz FWNDUXIKOIEHKM-CYBMUJFWSA-N 1 0 311.451 2.027 10 0 DEAERO CCC[NH2+]C[C@H]1COCCN1c1ccc(Br)cn1 ZINC000131433099 196167406 /nfs/dbraw/zinc/16/74/06/196167406.db2.gz APPXRGAUMCNSLC-LBPRGKRZSA-N 1 0 314.227 2.049 10 0 DEAERO CCCCOCCOCCOCCO[C@@H](CC)C[NH2+]CC ZINC000131644705 196187482 /nfs/dbraw/zinc/18/74/82/196187482.db2.gz NMYBBSCZUJFHTH-INIZCTEOSA-N 1 0 305.459 2.241 10 0 DEAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000131717546 196193665 /nfs/dbraw/zinc/19/36/65/196193665.db2.gz VLNRTEKXCHFGJH-XOVSCCBYSA-N 1 0 300.811 2.064 10 0 DEAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccoc1C ZINC000132754193 196280827 /nfs/dbraw/zinc/28/08/27/196280827.db2.gz JUOKRHYEFQHLPI-DZGCQCFKSA-N 1 0 314.451 2.300 10 0 DEAERO CC(C)n1ncc(Br)c1[C@@]1(O)CCC[C@H]([NH3+])C1 ZINC000132882801 196292592 /nfs/dbraw/zinc/29/25/92/196292592.db2.gz YWJTYIPDOMBBII-JOYOIKCWSA-N 1 0 302.216 2.315 10 0 DEAERO O=C([C@H]1CCCc2n[nH]cc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000133008013 196304382 /nfs/dbraw/zinc/30/43/82/196304382.db2.gz CZBJCXQOUUTWAC-HNNXBMFYSA-N 1 0 316.449 2.164 10 0 DEAERO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(C(C)(C)C)ccc2C)C1 ZINC000133058889 196308776 /nfs/dbraw/zinc/30/87/76/196308776.db2.gz LKOWCZIXFUJNBW-AWEZNQCLSA-N 1 0 310.463 2.275 10 0 DEAERO Cc1csc(Cc2noc(Cc3ccccc3C[NH3+])n2)n1 ZINC000133108463 196312564 /nfs/dbraw/zinc/31/25/64/196312564.db2.gz MLOWJQYJDCZDHK-UHFFFAOYSA-N 1 0 300.387 2.475 10 0 DEAERO C[C@H]([NH3+])CCCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000133278226 196327096 /nfs/dbraw/zinc/32/70/96/196327096.db2.gz HLZBKYMRVQEVPF-VIFPVBQESA-N 1 0 320.361 2.139 10 0 DEAERO C[C@@](C[NH3+])(NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C1CC1 ZINC000133746085 196333449 /nfs/dbraw/zinc/33/34/49/196333449.db2.gz CDTJWRCXRXCBFK-VFNNOXKTSA-N 1 0 314.838 2.358 10 0 DEAERO C[S@@](=O)CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000133789256 196335893 /nfs/dbraw/zinc/33/58/93/196335893.db2.gz FZNLYBSYMCUOGT-LRDDRELGSA-N 1 0 302.237 2.405 10 0 DEAERO [NH3+][C@@H](c1nn2c(nnc2[C@@H]2CCOC2)s1)C1CCCCC1 ZINC000133811025 196337093 /nfs/dbraw/zinc/33/70/93/196337093.db2.gz KQBKROJBNHGTBK-GHMZBOCLSA-N 1 0 307.423 2.270 10 0 DEAERO COCC[NH2+]C[C@H](COC)Cc1cccc(Br)c1 ZINC000134053536 196357166 /nfs/dbraw/zinc/35/71/66/196357166.db2.gz YMZMMBJURVBPPW-CYBMUJFWSA-N 1 0 316.239 2.490 10 0 DEAERO COCC[NH2+]C[C@@H](COC)Cc1cccc(Br)c1 ZINC000134053727 196357607 /nfs/dbraw/zinc/35/76/07/196357607.db2.gz YMZMMBJURVBPPW-ZDUSSCGKSA-N 1 0 316.239 2.490 10 0 DEAERO CC[S@@](=O)CCN1C[C@H](C(C)C)[NH2+]C[C@@H]1c1ccccc1 ZINC000134233633 196372701 /nfs/dbraw/zinc/37/27/01/196372701.db2.gz TYIUNXNFKVJJAE-LZJOCLMNSA-N 1 0 308.491 2.426 10 0 DEAERO CCC[C@@H](O)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000134416356 196388196 /nfs/dbraw/zinc/38/81/96/196388196.db2.gz JMLQBBSNANWBGF-MNOVXSKESA-N 1 0 322.232 2.484 10 0 DEAERO CCC(CC)[C@H](C[NH2+]CCNC(=O)OC(C)(C)C)N(C)C ZINC000134525208 196398658 /nfs/dbraw/zinc/39/86/58/196398658.db2.gz OJFZZHIVPBBLBB-AWEZNQCLSA-N 1 0 301.475 2.467 10 0 DEAERO CC[NH2+][C@H]1CCCc2nc([C@H]3CCS(=O)(=O)C3)sc21 ZINC000134590507 196405237 /nfs/dbraw/zinc/40/52/37/196405237.db2.gz DYWGAZXDRYTQAA-UWVGGRQHSA-N 1 0 300.449 2.032 10 0 DEAERO CCSC[C@@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000135413576 196471589 /nfs/dbraw/zinc/47/15/89/196471589.db2.gz XJFUHRIUNGWVID-MNOVXSKESA-N 1 0 302.465 2.126 10 0 DEAERO C[C@@H](O)CCN(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000135524792 196482833 /nfs/dbraw/zinc/48/28/33/196482833.db2.gz KGTOZJMIRJSLEF-MFKMUULPSA-N 1 0 301.228 2.152 10 0 DEAERO O=C1C[C@@H]([NH2+]C2CCSCC2)C(=O)N1C1CCCCCC1 ZINC000136365858 196534055 /nfs/dbraw/zinc/53/40/55/196534055.db2.gz GWEKILTVOZBGRQ-CQSZACIVSA-N 1 0 310.463 2.322 10 0 DEAERO CCOC(=O)[C@@H]1CCc2sc(NCC[N@H+](C)C(C)C)nc21 ZINC000136736538 196550539 /nfs/dbraw/zinc/55/05/39/196550539.db2.gz DKSUMTSSRVXSJV-LLVKDONJSA-N 1 0 311.451 2.488 10 0 DEAERO CC(=O)c1ccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000571890345 292579857 /nfs/dbraw/zinc/57/98/57/292579857.db2.gz PSAHXNZAOSNGRO-KRWDZBQOSA-N 1 0 301.390 2.497 10 0 DEAERO Cc1csc2c1ncnc2N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000192844657 225143565 /nfs/dbraw/zinc/14/35/65/225143565.db2.gz IPDHYLPWRKJNEO-GFCCVEGCSA-N 1 0 320.462 2.281 10 0 DEAERO Cc1csc2c1ncnc2N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000192843277 225144623 /nfs/dbraw/zinc/14/46/23/225144623.db2.gz SQJQQFJCHHZWOL-LBPRGKRZSA-N 1 0 320.462 2.281 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(C(C)=O)c1 ZINC000194041726 225173955 /nfs/dbraw/zinc/17/39/55/225173955.db2.gz MKNZUYYJNVIVHZ-INIZCTEOSA-N 1 0 318.417 2.038 10 0 DEAERO NC(=O)[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1C(F)(F)F ZINC000299745705 229386749 /nfs/dbraw/zinc/38/67/49/229386749.db2.gz RZARMXJQHFHLCK-NXEZZACHSA-N 1 0 322.277 2.103 10 0 DEAERO O[C@@H](C[NH2+]CC[C@@H]1CCCO1)COCc1ccccc1Cl ZINC000038097146 424808626 /nfs/dbraw/zinc/80/86/26/424808626.db2.gz JZYRPANVWCMMGT-GJZGRUSLSA-N 1 0 313.825 2.376 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1Cc2ccccc21 ZINC000193696266 424870425 /nfs/dbraw/zinc/87/04/25/424870425.db2.gz IKBFJBSECKREKX-ZBFHGGJFSA-N 1 0 301.434 2.500 10 0 DEAERO Cn1c(CN2CC[NH+](CCC(C)(C)C)CC2)nnc1C1CC1 ZINC000195101866 424880514 /nfs/dbraw/zinc/88/05/14/424880514.db2.gz SRKFJKOVZQZQSG-UHFFFAOYSA-N 1 0 305.470 2.246 10 0 DEAERO CC(C)[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000124792777 424855464 /nfs/dbraw/zinc/85/54/64/424855464.db2.gz HMDBFGBMWHYGDZ-HZMBPMFUSA-N 1 0 322.232 2.340 10 0 DEAERO CC(=O)Nc1ccc2nc(NC(=O)C[C@H]3CC[NH2+]C3)sc2c1 ZINC000127956997 424856688 /nfs/dbraw/zinc/85/66/88/424856688.db2.gz HBYPPAKZXNFAAM-SNVBAGLBSA-N 1 0 318.402 2.193 10 0 DEAERO Nc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000379685645 424907473 /nfs/dbraw/zinc/90/74/73/424907473.db2.gz KZVAXYUXPHZUMI-KRWDZBQOSA-N 1 0 324.428 2.279 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000384078970 424910641 /nfs/dbraw/zinc/91/06/41/424910641.db2.gz VFHGRMVIVQGXRV-OKZBNKHCSA-N 1 0 316.445 2.427 10 0 DEAERO Cc1cc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)nn1C1CCCCC1 ZINC000333313734 424921034 /nfs/dbraw/zinc/92/10/34/424921034.db2.gz LZUMWQMYUQSEGF-WFASDCNBSA-N 1 0 319.453 2.816 10 0 DEAERO Cc1nnc(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)nc1C ZINC000397936915 424921826 /nfs/dbraw/zinc/92/18/26/424921826.db2.gz XVHWKMQYQYLWHL-SFHVURJKSA-N 1 0 311.433 2.955 10 0 DEAERO C[C@@H](OCc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000404563197 424928011 /nfs/dbraw/zinc/92/80/11/424928011.db2.gz ZDKDAILCMKJTTM-GDBMZVCRSA-N 1 0 302.418 2.383 10 0 DEAERO [NH3+]CC[C@@H]1CCCCN1C(=O)c1nscc1Br ZINC000404765804 424929085 /nfs/dbraw/zinc/92/90/85/424929085.db2.gz GFCSDZBRYXOPGG-QMMMGPOBSA-N 1 0 318.240 2.249 10 0 DEAERO C[C@H](CCCC[NH3+])NC(=O)c1nscc1Br ZINC000404798962 424930102 /nfs/dbraw/zinc/93/01/02/424930102.db2.gz JFTMZMWFPUORAS-SSDOTTSWSA-N 1 0 306.229 2.153 10 0 DEAERO CN(CCOCc1ccccc1)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407448046 424932514 /nfs/dbraw/zinc/93/25/14/424932514.db2.gz YKTLBEQTUQLRIW-SJORKVTESA-N 1 0 302.418 2.192 10 0 DEAERO C[NH+]1CCC(n2ccc(NC(=O)N3CCCC34CCC4)n2)CC1 ZINC000563852338 424901125 /nfs/dbraw/zinc/90/11/25/424901125.db2.gz IMXCQYYANCGUBL-UHFFFAOYSA-N 1 0 317.437 2.700 10 0 DEAERO c1c(C2CCCC2)nc2sc(NCC[NH+]3CCCC3)nn12 ZINC000436183690 425030925 /nfs/dbraw/zinc/03/09/25/425030925.db2.gz JONLXKMQYZWFLV-UHFFFAOYSA-N 1 0 305.451 2.956 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000087087021 267392253 /nfs/dbraw/zinc/39/22/53/267392253.db2.gz DVYDXSCSKKEHLD-CYBMUJFWSA-N 1 0 311.401 2.073 10 0 DEAERO CCc1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)s1 ZINC000653071330 425395085 /nfs/dbraw/zinc/39/50/85/425395085.db2.gz CNWVILXZFCDKIS-GHMZBOCLSA-N 1 0 306.353 2.325 10 0 DEAERO COc1ccc(Br)cc1C[NH2+]C1CC(CO)C1 ZINC000657809309 425403709 /nfs/dbraw/zinc/40/37/09/425403709.db2.gz VWWSGLJCVQFTMI-UHFFFAOYSA-N 1 0 300.196 2.318 10 0 DEAERO CC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)c1nccs1 ZINC000653120856 425410782 /nfs/dbraw/zinc/41/07/82/425410782.db2.gz CXXWMCMSDXVWQP-HLTSFMKQSA-N 1 0 307.341 2.108 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178514686 267580390 /nfs/dbraw/zinc/58/03/90/267580390.db2.gz ZTEYKUUANUSWNF-IHRRRGAJSA-N 1 0 312.454 2.343 10 0 DEAERO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cccc(-n2ccnc2)c1 ZINC000192791867 267745588 /nfs/dbraw/zinc/74/55/88/267745588.db2.gz FQVBFUCESMKIIV-HOTGVXAUSA-N 1 0 314.433 2.244 10 0 DEAERO Cn1cncc1[C@@H]1C[C@H]([NH2+]Cc2cccc3nccn32)CCO1 ZINC000275455618 268756092 /nfs/dbraw/zinc/75/60/92/268756092.db2.gz GUZPFWZSYTTZJK-CJNGLKHVSA-N 1 0 311.389 2.078 10 0 DEAERO O=C(Nc1nc(C(F)(F)F)cs1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333141405 268891722 /nfs/dbraw/zinc/89/17/22/268891722.db2.gz KYJXOUMFBSSFMD-JGVFFNPUSA-N 1 0 320.340 2.235 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000333159145 268894326 /nfs/dbraw/zinc/89/43/26/268894326.db2.gz GFSOMOFBYSPIOB-ILXRZTDVSA-N 1 0 309.454 2.166 10 0 DEAERO COc1ccc(Cl)c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000333186934 268899849 /nfs/dbraw/zinc/89/98/49/268899849.db2.gz RAFGUHUWNSKZRH-MNOVXSKESA-N 1 0 309.797 2.422 10 0 DEAERO CCc1nc([C@H](C)NC(=O)N2CCC3(CC[NH2+]3)CC2)cs1 ZINC000333321624 268925796 /nfs/dbraw/zinc/92/57/96/268925796.db2.gz UPABXQICSFFFIP-NSHDSACASA-N 1 0 308.451 2.304 10 0 DEAERO Cc1csc([C@@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)C2CC2)n1 ZINC000333388190 268937205 /nfs/dbraw/zinc/93/72/05/268937205.db2.gz OKBYMTNXLPTVAQ-OLZOCXBDSA-N 1 0 308.451 2.344 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000333650527 268971465 /nfs/dbraw/zinc/97/14/65/268971465.db2.gz JSLDRCDWCUWYCY-HYVNUMGLSA-N 1 0 316.449 2.271 10 0 DEAERO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333658831 268972196 /nfs/dbraw/zinc/97/21/96/268972196.db2.gz AVOXQCADJFRUDV-HIFRSBDPSA-N 1 0 313.405 2.190 10 0 DEAERO CC(C)[C@@H]1N(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@@]12CCCO2 ZINC000333803286 268993500 /nfs/dbraw/zinc/99/35/00/268993500.db2.gz ICZCPRSZOQIYGS-IVSAIRAKSA-N 1 0 309.454 2.103 10 0 DEAERO Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2CCCC[NH2+]C2)cs1 ZINC000333821157 268994794 /nfs/dbraw/zinc/99/47/94/268994794.db2.gz KWWLBMCTPVKSEW-TZMCWYRMSA-N 1 0 308.451 2.440 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)no1 ZINC000333898253 269001969 /nfs/dbraw/zinc/00/19/69/269001969.db2.gz ZJNBLZOENLAIKA-UPJWGTAASA-N 1 0 321.425 2.180 10 0 DEAERO CC(C)OCC(C)(C)[NH2+]Cc1c(Br)cnn1C ZINC000396347629 269103062 /nfs/dbraw/zinc/10/30/62/269103062.db2.gz QIGXBGACTZONBY-UHFFFAOYSA-N 1 0 304.232 2.476 10 0 DEAERO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000397646066 269106948 /nfs/dbraw/zinc/10/69/48/269106948.db2.gz VCCFALUSMHMURR-UHFFFAOYSA-N 1 0 314.385 2.037 10 0 DEAERO C[C@@H]([NH2+]CCc1cncn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000401665579 269112315 /nfs/dbraw/zinc/11/23/15/269112315.db2.gz HCSFTDJSTUCGIS-ZIAGYGMSSA-N 1 0 322.453 2.198 10 0 DEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495606439 269159507 /nfs/dbraw/zinc/15/95/07/269159507.db2.gz YBHFMNLPFLYBHG-DZGCQCFKSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@H]([NH2+]Cc1ncccn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496070839 269198470 /nfs/dbraw/zinc/19/84/70/269198470.db2.gz WDKGVFHDVSCYAA-QWHCGFSZSA-N 1 0 306.410 2.212 10 0 DEAERO C[C@H]([NH2+][C@@H](CO)CC(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496970464 269272461 /nfs/dbraw/zinc/27/24/61/269272461.db2.gz XDBYNWHBJZKBJU-QJPTWQEYSA-N 1 0 322.396 2.238 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]CCOC(C)(C)C)c1 ZINC000515637224 269352488 /nfs/dbraw/zinc/35/24/88/269352488.db2.gz ICFCOGFNFDLOBK-OAHLLOKOSA-N 1 0 309.406 2.034 10 0 DEAERO Brc1cccc(N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000286289205 273475278 /nfs/dbraw/zinc/47/52/78/273475278.db2.gz UYOHFESATKPAHD-AWEZNQCLSA-N 1 0 311.223 2.360 10 0 DEAERO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)CCO2 ZINC000152387191 273708399 /nfs/dbraw/zinc/70/83/99/273708399.db2.gz LUAJGWNRDNFAJY-IUODEOHRSA-N 1 0 304.390 2.119 10 0 DEAERO O=C1NCCCC[C@H]1[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000120325754 275022477 /nfs/dbraw/zinc/02/24/77/275022477.db2.gz RDUQQWPQFYOMSP-IAGOWNOFSA-N 1 0 320.408 2.240 10 0 DEAERO O[C@H]1c2ccccc2C[C@H]1[NH+]1CCC(Nc2cccnn2)CC1 ZINC000182753399 275059785 /nfs/dbraw/zinc/05/97/85/275059785.db2.gz TVGVXLCCLRANMQ-AEFFLSMTSA-N 1 0 310.401 2.011 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000415278622 275445349 /nfs/dbraw/zinc/44/53/49/275445349.db2.gz YDCQXIOXHIXKOQ-XJKSGUPXSA-N 1 0 318.421 2.308 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCO[C@@H]2C)c2ccc(F)cc2C1 ZINC000248689159 275469480 /nfs/dbraw/zinc/46/94/80/275469480.db2.gz AEVRSZWYXBKLKU-NVGVWMPQSA-N 1 0 306.381 2.386 10 0 DEAERO CC(C)(C)n1cc(CN(CC[NH3+])CCc2ccccc2)nn1 ZINC000261986649 275543213 /nfs/dbraw/zinc/54/32/13/275543213.db2.gz JUXVLMIINRXILD-UHFFFAOYSA-N 1 0 301.438 2.037 10 0 DEAERO C/C(=C\c1ccc(F)cc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000176700176 275729857 /nfs/dbraw/zinc/72/98/57/275729857.db2.gz QNTADLHELVORDS-WYMLVPIESA-N 1 0 320.408 2.456 10 0 DEAERO CC1(C)CCCC[C@H]1[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000094325205 275812367 /nfs/dbraw/zinc/81/23/67/275812367.db2.gz AXIYEVFTKLLFEL-UONOGXRCSA-N 1 0 302.484 2.216 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000032073288 276112833 /nfs/dbraw/zinc/11/28/33/276112833.db2.gz GKPKDMYNHHZYFE-NSHDSACASA-N 1 0 304.843 2.349 10 0 DEAERO CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC12COC2 ZINC000451137798 276294675 /nfs/dbraw/zinc/29/46/75/276294675.db2.gz PNVCFBRZUUPKMW-CVEARBPZSA-N 1 0 319.376 2.325 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2coc(-c3cccs3)n2)CC1 ZINC000174081191 276445430 /nfs/dbraw/zinc/44/54/30/276445430.db2.gz OOZIBZFKPCUONN-CQSZACIVSA-N 1 0 321.446 2.292 10 0 DEAERO CC[C@@](C)(CCO)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000153803453 276533725 /nfs/dbraw/zinc/53/37/25/276533725.db2.gz NMNJYGBKNRFROA-AEFFLSMTSA-N 1 0 321.465 2.010 10 0 DEAERO CC[C@](C)(CCO)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000153803569 276648026 /nfs/dbraw/zinc/64/80/26/276648026.db2.gz NMNJYGBKNRFROA-SJLPKXTDSA-N 1 0 321.465 2.010 10 0 DEAERO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCCOCC(F)(F)F ZINC000248792088 277110888 /nfs/dbraw/zinc/11/08/88/277110888.db2.gz DNRMXQIAUOTHKM-TUAOUCFPSA-N 1 0 309.328 2.229 10 0 DEAERO COC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000068222971 277156666 /nfs/dbraw/zinc/15/66/66/277156666.db2.gz UTFBXBTUPNMGEK-HNNXBMFYSA-N 1 0 306.406 2.179 10 0 DEAERO CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000079061920 277188236 /nfs/dbraw/zinc/18/82/36/277188236.db2.gz XTHMJGXGVURWCJ-OAHLLOKOSA-N 1 0 305.422 2.067 10 0 DEAERO C[NH2+][C@@H]1CCCN([C@@H](C)C(=O)N2CCSc3ccccc32)C1 ZINC000261830736 277295005 /nfs/dbraw/zinc/29/50/05/277295005.db2.gz VKRUTNJAKHCSEK-UONOGXRCSA-N 1 0 319.474 2.198 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCOCC[C@@H]2C)C1 ZINC000378466648 277390978 /nfs/dbraw/zinc/39/09/78/277390978.db2.gz LLVMXWLFXXEDFG-HOTGVXAUSA-N 1 0 311.470 2.175 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000124374570 277393250 /nfs/dbraw/zinc/39/32/50/277393250.db2.gz IADSZFSVUYVCGG-ZACQAIPSSA-N 1 0 323.481 2.317 10 0 DEAERO COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000372113598 277476282 /nfs/dbraw/zinc/47/62/82/277476282.db2.gz SUJSETSQDPOHGI-DGCLKSJQSA-N 1 0 324.446 2.187 10 0 DEAERO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000182120341 277501261 /nfs/dbraw/zinc/50/12/61/277501261.db2.gz PJZHYIYBFWBDQT-STQMWFEESA-N 1 0 302.827 2.180 10 0 DEAERO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1nnc2n1CCCCC2 ZINC000319683735 277614882 /nfs/dbraw/zinc/61/48/82/277614882.db2.gz JWSZKRQLAHKRSD-CYBMUJFWSA-N 1 0 320.437 2.341 10 0 DEAERO C[C@@H]1C[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC(C)(C)C1 ZINC000182841921 277961123 /nfs/dbraw/zinc/96/11/23/277961123.db2.gz GFQMFTQJKJKHEG-OAGGEKHMSA-N 1 0 310.482 2.412 10 0 DEAERO CC(=O)NC1(C(=O)N[C@H](C)C[NH+]2CCCCCC2)CCCCC1 ZINC000186308865 278085129 /nfs/dbraw/zinc/08/51/29/278085129.db2.gz QWNMSZGOABWQRT-OAHLLOKOSA-N 1 0 323.481 2.206 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1COc2ccccc21 ZINC000195197667 278186363 /nfs/dbraw/zinc/18/63/63/278186363.db2.gz VTTKNWVBJXOQLR-UKRRQHHQSA-N 1 0 303.406 2.294 10 0 DEAERO CC1(C)CCCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000366138753 278201642 /nfs/dbraw/zinc/20/16/42/278201642.db2.gz QYUKYKJZHRUYOB-OWCLPIDISA-N 1 0 308.466 2.260 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1C ZINC000113223526 278240918 /nfs/dbraw/zinc/24/09/18/278240918.db2.gz ALTVEQVMPLTLHN-IINYFYTJSA-N 1 0 303.406 2.143 10 0 DEAERO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000434762854 278324679 /nfs/dbraw/zinc/32/46/79/278324679.db2.gz ITQITYKZRQFQLF-RDJZCZTQSA-N 1 0 321.509 2.345 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000085387143 288073644 /nfs/dbraw/zinc/07/36/44/288073644.db2.gz NEONIFQZFMDFSN-BMFZPTHFSA-N 1 0 317.433 2.492 10 0 DEAERO CCC[C@H](C(=O)N1CCO[C@]2(CCc3ccccc32)C1)[NH+](C)C ZINC000121536746 278919405 /nfs/dbraw/zinc/91/94/05/278919405.db2.gz BILUSEWYCGTCQD-IEBWSBKVSA-N 1 0 316.445 2.417 10 0 DEAERO CCCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000070177253 278985594 /nfs/dbraw/zinc/98/55/94/278985594.db2.gz UNGIOHHIULIJNG-CJNGLKHVSA-N 1 0 310.463 2.387 10 0 DEAERO CC(C)C[C@H](C)S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000247511424 279117614 /nfs/dbraw/zinc/11/76/14/279117614.db2.gz NEIVGWWJBARJSH-SOUVJXGZSA-N 1 0 302.484 2.167 10 0 DEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000245972362 279135563 /nfs/dbraw/zinc/13/55/63/279135563.db2.gz ZZDWNYZLTYTCLZ-BARDWOONSA-N 1 0 302.422 2.359 10 0 DEAERO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178631822 279215539 /nfs/dbraw/zinc/21/55/39/279215539.db2.gz SYNKJSKGNXGTAR-BFYDXBDKSA-N 1 0 313.445 2.133 10 0 DEAERO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114563968 279224995 /nfs/dbraw/zinc/22/49/95/279224995.db2.gz GMZJRYXFCJZVBJ-RYRKJORJSA-N 1 0 306.450 2.492 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1ccc(OC)c(O)c1 ZINC000492668279 279323419 /nfs/dbraw/zinc/32/34/19/279323419.db2.gz BNFRDJQMYYPSDB-WWRUEGTHSA-N 1 0 318.417 2.357 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccccc1C(F)(F)F ZINC000459710805 279474674 /nfs/dbraw/zinc/47/46/74/279474674.db2.gz ZPPRNYFULFFNFD-WDEREUQCSA-N 1 0 314.311 2.009 10 0 DEAERO C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCC(=O)[O-])CC2)C[C@H](C)O1 ZINC000175797152 288156824 /nfs/dbraw/zinc/15/68/24/288156824.db2.gz BOKZWCGLGKNVQX-GASCZTMLSA-N 1 0 312.454 2.063 10 0 DEAERO O=C1[C@H]([NH2+][C@@H]2CCCc3occc32)CCN1C1CCOCC1 ZINC000373919807 280326238 /nfs/dbraw/zinc/32/62/38/280326238.db2.gz DMTVFMLCGTZIFS-HUUCEWRRSA-N 1 0 304.390 2.027 10 0 DEAERO Cc1cc(C)c(N2CC[C@@H]([NH2+]C3CCOCC3)C2=O)c(C)c1 ZINC000189456182 280386853 /nfs/dbraw/zinc/38/68/53/280386853.db2.gz BBPUDTCTRDQEIZ-MRXNPFEDSA-N 1 0 302.418 2.486 10 0 DEAERO Cc1cc(C)c(N2CC[C@H]([N@@H+]3CCC[C@@H](CO)C3)C2=O)c(C)c1 ZINC000249125378 280387445 /nfs/dbraw/zinc/38/74/45/280387445.db2.gz UDEJOODQRYXVDE-SJORKVTESA-N 1 0 316.445 2.421 10 0 DEAERO CC(C)n1nnnc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171502515 280807982 /nfs/dbraw/zinc/80/79/82/280807982.db2.gz SHIQWJJKIFYFTB-MRXNPFEDSA-N 1 0 320.485 2.342 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000246532664 288308397 /nfs/dbraw/zinc/30/83/97/288308397.db2.gz IXMPLQNRYLZPJO-BFZKSOEOSA-N 1 0 318.461 2.467 10 0 DEAERO Cc1cccc2c1[nH+]cc(C)c2N1CCS(=O)(=O)[C@@H](C)C1 ZINC000185517763 281308554 /nfs/dbraw/zinc/30/85/54/281308554.db2.gz KEHHJWKZTWYNKO-ZDUSSCGKSA-N 1 0 304.415 2.475 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000341588691 289325353 /nfs/dbraw/zinc/32/53/53/289325353.db2.gz RPCHDZTXETUKCC-ZNMIVQPWSA-N 1 0 305.426 2.129 10 0 DEAERO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)C1CC1 ZINC000246565103 289398081 /nfs/dbraw/zinc/39/80/81/289398081.db2.gz HKHJPBFVELLBBH-UNEWFSDZSA-N 1 0 306.450 2.277 10 0 DEAERO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)[C@H]1CCCO1 ZINC000255070090 289883963 /nfs/dbraw/zinc/88/39/63/289883963.db2.gz RULWYCXZOKAJQD-NUEKZKHPSA-N 1 0 305.422 2.156 10 0 DEAERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)[C@@H]1CCCO1 ZINC000222636809 290057175 /nfs/dbraw/zinc/05/71/75/290057175.db2.gz XKGWQNFWQXOGFJ-BPNCWPANSA-N 1 0 313.394 2.201 10 0 DEAERO C[C@@H]1CN(CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CCO1 ZINC000249020482 297002600 /nfs/dbraw/zinc/00/26/00/297002600.db2.gz KAWCXMUBMRNNQT-ZBFHGGJFSA-N 1 0 318.417 2.273 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000261880442 295186662 /nfs/dbraw/zinc/18/66/62/295186662.db2.gz UASRREFSOCMKRO-MCIONIFRSA-N 1 0 306.406 2.048 10 0 DEAERO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1cccc2ccccc21 ZINC000123459214 295266141 /nfs/dbraw/zinc/26/61/41/295266141.db2.gz SHWYKDKFOCQDRD-CQSZACIVSA-N 1 0 304.415 2.342 10 0 DEAERO C[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCCC3)C[C@H]1[NH+](C)C ZINC000266159716 300189711 /nfs/dbraw/zinc/18/97/11/300189711.db2.gz ILJSFSXLOLZXIJ-BLLLJJGKSA-N 1 0 317.433 2.078 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000050163480 300962482 /nfs/dbraw/zinc/96/24/82/300962482.db2.gz KAMBKMBYHZOSKK-NEPJUHHUSA-N 1 0 316.854 2.315 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000261651427 301301079 /nfs/dbraw/zinc/30/10/79/301301079.db2.gz JSNQXQHMWYYIFX-GXTWGEPZSA-N 1 0 314.426 2.333 10 0 DEAERO C[C@@H]1CCCN(c2cc(NC[C@H](C3CC3)[NH+](C)C)ncn2)C1 ZINC000301979285 533704011 /nfs/dbraw/zinc/70/40/11/533704011.db2.gz HGYFEPWEPSEEGP-UKRRQHHQSA-N 1 0 303.454 2.465 10 0 DEAERO COc1ccnc(N2CC[NH+](CCc3ccc(C)cc3)CC2)n1 ZINC000172415854 325729965 /nfs/dbraw/zinc/72/99/65/325729965.db2.gz KKRRNEUOZCYVBX-UHFFFAOYSA-N 1 0 312.417 2.158 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]CCc2ccc(C)nc2)C12CCOCC2 ZINC000186333109 332921879 /nfs/dbraw/zinc/92/18/79/332921879.db2.gz SGVDZWZTJLEUTQ-SJORKVTESA-N 1 0 304.434 2.496 10 0 DEAERO C[C@H](NC(=O)Nc1nncs1)[C@H](c1ccccc1)[NH+](C)C ZINC000185941372 332275059 /nfs/dbraw/zinc/27/50/59/332275059.db2.gz BNKOWGYJZCOASR-CMPLNLGQSA-N 1 0 305.407 2.351 10 0 DEAERO COC[C@@H](C)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000188104663 333031782 /nfs/dbraw/zinc/03/17/82/333031782.db2.gz UQDATDOPQPJJDJ-GWCFXTLKSA-N 1 0 302.212 2.355 10 0 DEAERO COC[C@@H]([NH2+]CCCc1c(C)nn(C)c1C)C1CCOCC1 ZINC000188302731 333042824 /nfs/dbraw/zinc/04/28/24/333042824.db2.gz FRTOTYYSLPPFDI-QGZVFWFLSA-N 1 0 309.454 2.001 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2ccsc2Br)CCC1=O ZINC000388873891 335601163 /nfs/dbraw/zinc/60/11/63/335601163.db2.gz CXQOEMHTALQXQQ-VIFPVBQESA-N 1 0 303.225 2.221 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398165856 337307869 /nfs/dbraw/zinc/30/78/69/337307869.db2.gz TXILHSUGYPGJMN-KBAYOESNSA-N 1 0 306.450 2.025 10 0 DEAERO COC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000584598171 337374580 /nfs/dbraw/zinc/37/45/80/337374580.db2.gz KTUJVMFPUUEDDG-CQSZACIVSA-N 1 0 304.390 2.156 10 0 DEAERO COc1ccccc1-n1nccc1C[NH2+]CC1(N(C)C)CC1 ZINC000418113327 533934479 /nfs/dbraw/zinc/93/44/79/533934479.db2.gz IWFMDORBVHZPES-UHFFFAOYSA-N 1 0 300.406 2.065 10 0 DEAERO CCc1cnc(CNC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)s1 ZINC000177556710 517860339 /nfs/dbraw/zinc/86/03/39/517860339.db2.gz CJORLFBGZNTNHX-LBPRGKRZSA-N 1 0 310.467 2.331 10 0 DEAERO C/C(=C/c1ccccc1)C[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338356038 518415131 /nfs/dbraw/zinc/41/51/31/518415131.db2.gz JWMUJPVZJVSHTR-JBXOJTMHSA-N 1 0 322.474 2.303 10 0 DEAERO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1)C(C)C ZINC000105883714 519567353 /nfs/dbraw/zinc/56/73/53/519567353.db2.gz HOYLVLUKJFJZBJ-CVEARBPZSA-N 1 0 321.469 2.024 10 0 DEAERO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000365672361 519729698 /nfs/dbraw/zinc/72/96/98/519729698.db2.gz UWEVMLZLOWDYRL-MRXNPFEDSA-N 1 0 318.417 2.403 10 0 DEAERO CCCNC(=O)CCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918718 519869509 /nfs/dbraw/zinc/86/95/09/519869509.db2.gz DCGAQRZZWKHCDJ-UHFFFAOYSA-N 1 0 323.481 2.017 10 0 DEAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCCCCn1cccn1 ZINC000104948651 520540172 /nfs/dbraw/zinc/54/01/72/520540172.db2.gz HHFPFKMDVJQIHP-MRXNPFEDSA-N 1 0 306.454 2.386 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccn(CCc2ccncc2)n1)[NH+](C)C ZINC000161886844 520598671 /nfs/dbraw/zinc/59/86/71/520598671.db2.gz ZLXHZWCZGODEBQ-HNNXBMFYSA-N 1 0 315.421 2.190 10 0 DEAERO CCN(CCC[NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000162840160 521022173 /nfs/dbraw/zinc/02/21/73/521022173.db2.gz AQDRAYHSIDIYKR-UHFFFAOYSA-N 1 0 304.438 2.036 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNc2ccccc2OC)[C@H](C)C1 ZINC000127308331 521712069 /nfs/dbraw/zinc/71/20/69/521712069.db2.gz BYNWSACVQQXSMM-GDBMZVCRSA-N 1 0 319.449 2.296 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000365292628 522039058 /nfs/dbraw/zinc/03/90/58/522039058.db2.gz QAQQHBFWIBHKOV-QGZVFWFLSA-N 1 0 314.429 2.301 10 0 DEAERO Cc1nc2c(c(NC[C@@H](c3cnn(C)c3)[NH+](C)C)n1)CCCC2 ZINC000302072720 534621839 /nfs/dbraw/zinc/62/18/39/534621839.db2.gz ZKPPTBIUAWEVLL-INIZCTEOSA-N 1 0 314.437 2.112 10 0 DEAERO CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000246748578 523295269 /nfs/dbraw/zinc/29/52/69/523295269.db2.gz ZRMYILCFJNWYNZ-YNEHKIRRSA-N 1 0 300.406 2.361 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ccccc1F ZINC000111864461 523825480 /nfs/dbraw/zinc/82/54/80/523825480.db2.gz CODFRMUZIITNLL-OAHLLOKOSA-N 1 0 323.412 2.078 10 0 DEAERO CNC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000246627772 524080105 /nfs/dbraw/zinc/08/01/05/524080105.db2.gz KFGQNHFXJJQBFM-GLQYFDAESA-N 1 0 316.405 2.297 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000110628056 524331725 /nfs/dbraw/zinc/33/17/25/524331725.db2.gz MNVCSJNRHRHMOA-KGLIPLIRSA-N 1 0 322.478 2.103 10 0 DEAERO COc1ccc(OC)c(CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000247352076 524814125 /nfs/dbraw/zinc/81/41/25/524814125.db2.gz OBHPAEITGMGGRS-XJKSGUPXSA-N 1 0 320.433 2.091 10 0 DEAERO C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000247104457 524832908 /nfs/dbraw/zinc/83/29/08/524832908.db2.gz KUPUVDPCOIRQAB-XDTLVQLUSA-N 1 0 311.223 2.406 10 0 DEAERO CC(=O)c1ccc(SCC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1F ZINC000261810430 534878408 /nfs/dbraw/zinc/87/84/08/534878408.db2.gz MOWGPOCNKAZJGS-ZYHUDNBSSA-N 1 0 324.421 2.316 10 0 DEAERO CC(=O)c1ccc(SCC(=O)N2CC[C@](C)(C[NH3+])C2)cc1F ZINC000261799359 534878650 /nfs/dbraw/zinc/87/86/50/534878650.db2.gz GXSDWPDDGFZHBT-MRXNPFEDSA-N 1 0 324.421 2.318 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(CCOc2ccccc2Cl)C[C@H]1C ZINC000105821070 525796841 /nfs/dbraw/zinc/79/68/41/525796841.db2.gz YGPBEDOPPVYSSS-ZIAGYGMSSA-N 1 0 312.841 2.106 10 0 DEAERO CS[C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000249146725 525856819 /nfs/dbraw/zinc/85/68/19/525856819.db2.gz WXVNHYAYKSISRC-PUYPPJJSSA-N 1 0 314.401 2.278 10 0 DEAERO COc1cccc(CCNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000157424976 525897206 /nfs/dbraw/zinc/89/72/06/525897206.db2.gz CIFGUZTUSJWDDB-YOEHRIQHSA-N 1 0 319.449 2.266 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)Nc2ccn(CC[NH+](C)C)n2)o1 ZINC000156216943 525904225 /nfs/dbraw/zinc/90/42/25/525904225.db2.gz NXWLRXGQUPSFHT-LBPRGKRZSA-N 1 0 305.382 2.229 10 0 DEAERO c1cn(-c2ccc(C[N@@H+]3CC[C@H](Oc4cccnc4)C3)cn2)cn1 ZINC000154705979 526522904 /nfs/dbraw/zinc/52/29/04/526522904.db2.gz NHIUHJDAYNIBNM-KRWDZBQOSA-N 1 0 321.384 2.316 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000238041569 527215322 /nfs/dbraw/zinc/21/53/22/527215322.db2.gz GWPDRWKAGVVSHM-SMDDNHRTSA-N 1 0 302.353 2.073 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000237903414 527356702 /nfs/dbraw/zinc/35/67/02/527356702.db2.gz XZNLHHBIPAWNJU-NWDGAFQWSA-N 1 0 301.390 2.035 10 0 DEAERO Cc1nccn1CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237624542 527401366 /nfs/dbraw/zinc/40/13/66/527401366.db2.gz XIAPVLXLMBOKSI-JYJNAYRXSA-N 1 0 304.438 2.009 10 0 DEAERO O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246833755 527489680 /nfs/dbraw/zinc/48/96/80/527489680.db2.gz SQVHUISQDPGJSL-JLLWLGSASA-N 1 0 316.327 2.305 10 0 DEAERO CC(C)CC(C)(C)CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000175917058 527679162 /nfs/dbraw/zinc/67/91/62/527679162.db2.gz YFRZPZIDNLAAEI-HNNXBMFYSA-N 1 0 313.486 2.205 10 0 DEAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)[C@@H]2CCCO[C@@H]21 ZINC000328788459 527869521 /nfs/dbraw/zinc/86/95/21/527869521.db2.gz XSLLYZIEGLOTLV-SIRPWMCASA-N 1 0 323.477 2.347 10 0 DEAERO CC[N@H+](CC(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C)C1CC1 ZINC000246383898 527899693 /nfs/dbraw/zinc/89/96/93/527899693.db2.gz ZXCACIHYRGRVOW-PBHICJAKSA-N 1 0 302.418 2.459 10 0 DEAERO CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)Nc2cccc(C)c2)C1(C)C ZINC000189985792 528116141 /nfs/dbraw/zinc/11/61/41/528116141.db2.gz QISWDTNHQKIHGI-YJBOKZPZSA-N 1 0 320.433 2.089 10 0 DEAERO CCC[NH+]1CCC(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000157573631 528198249 /nfs/dbraw/zinc/19/82/49/528198249.db2.gz YBRSBQIGVLKNIC-MAUKXSAKSA-N 1 0 323.481 2.197 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)Cc1cccc(F)c1 ZINC000189135676 528293299 /nfs/dbraw/zinc/29/32/99/528293299.db2.gz BRHVWGYNOJBBBQ-HNNXBMFYSA-N 1 0 316.442 2.221 10 0 DEAERO CC(C)c1noc([C@@H](C)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)n1 ZINC000328820261 528507964 /nfs/dbraw/zinc/50/79/64/528507964.db2.gz FEFHJTKUKMJCCQ-ZIAGYGMSSA-N 1 0 322.453 2.439 10 0 DEAERO CC(C)[C@H]1C[C@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000249380024 535267280 /nfs/dbraw/zinc/26/72/80/535267280.db2.gz ZRVFMCHDZIMIKI-ZFHLEULCSA-N 1 0 319.493 2.048 10 0 DEAERO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262441055 535291170 /nfs/dbraw/zinc/29/11/70/535291170.db2.gz AXHLZTMBSHCPBI-NRKLIOEPSA-N 1 0 308.466 2.475 10 0 DEAERO CCCOc1nc(C)ccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000191512467 535292927 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RTGHDDOIGJQUIK-UHFFFAOYSA-N 1 0 323.440 2.168 10 0 DEAERO COc1cc(C)nc(CN[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](OC)C2)c1 ZINC000888103163 635570552 /nfs/dbraw/zinc/57/05/52/635570552.db2.gz LRYSDLQUHYOISM-NXHRZFHOSA-N 1 0 319.449 2.130 10 0 DEAERO C[NH+](C)[C@H]1CCN(C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000062968142 635809761 /nfs/dbraw/zinc/80/97/61/635809761.db2.gz GMIVMNOYVNMXOD-KBPBESRZSA-N 1 0 302.340 2.375 10 0 DEAERO c1cn(-c2cc(C[NH2+]Cc3cccc4c3OCO4)ccn2)cn1 ZINC000236605288 635990060 /nfs/dbraw/zinc/99/00/60/635990060.db2.gz CUFQNUBDCGPCPY-UHFFFAOYSA-N 1 0 308.341 2.286 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)OC[C@H]1CCCO1 ZINC000237074735 636371672 /nfs/dbraw/zinc/37/16/72/636371672.db2.gz RXWONPKTYWUGNI-DZGCQCFKSA-N 1 0 306.406 2.319 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=S)Nc2ccc(OC)c(F)c2)C1 ZINC000726469122 636434143 /nfs/dbraw/zinc/43/41/43/636434143.db2.gz MZOMXAWLPMDVQE-LLVKDONJSA-N 1 0 311.426 2.463 10 0 DEAERO C[C@@H](CNCc1nc(Br)c[nH]1)[NH+]1CCCCC1 ZINC000310418734 637346717 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COCCS(=O)(=O)CCC[N@H+](Cc1ccccc1)C(C)C ZINC000727828416 638406907 /nfs/dbraw/zinc/40/69/07/638406907.db2.gz DESQOWVNADBVLJ-UHFFFAOYSA-N 1 0 313.463 2.348 10 0 DEAERO CC[NH+]1CCN(CCNC(=O)C=C2CCC(C)(C)CC2)CC1 ZINC000751962501 639140808 /nfs/dbraw/zinc/14/08/08/639140808.db2.gz CBNKWEZLTLWHDL-UHFFFAOYSA-N 1 0 307.482 2.267 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000752348996 639174591 /nfs/dbraw/zinc/17/45/91/639174591.db2.gz RHXRDFSFXJPNNF-SJORKVTESA-N 1 0 316.445 2.491 10 0 DEAERO CCOC(=O)[C@H](CC1CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000752727276 639211858 /nfs/dbraw/zinc/21/18/58/639211858.db2.gz WJTMPRUNASIZDP-INIZCTEOSA-N 1 0 318.417 2.210 10 0 DEAERO CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000752727281 639212016 /nfs/dbraw/zinc/21/20/16/639212016.db2.gz WJTMPRUNASIZDP-MRXNPFEDSA-N 1 0 318.417 2.210 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncnc2)CC1 ZINC000322469618 641161895 /nfs/dbraw/zinc/16/18/95/641161895.db2.gz 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CCOCC[N@@H+]1CCN(Cn2cccnc2=S)C[C@@H]1CC ZINC000172498089 646739622 /nfs/dbraw/zinc/73/96/22/646739622.db2.gz FZCCSLOCRJSYPV-AWEZNQCLSA-N 1 0 310.467 2.003 10 0 DEAERO S=c1n(-c2ccccc2)cnn1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172503073 646740042 /nfs/dbraw/zinc/74/00/42/646740042.db2.gz FFJKEBGMFTVZLA-OAHLLOKOSA-N 1 0 315.446 2.141 10 0 DEAERO O[C@]1(Cc2nc(C3CC3)no2)CCC[N@H+](Cc2ccco2)C1 ZINC000818184649 647428724 /nfs/dbraw/zinc/42/87/24/647428724.db2.gz JOXNYQXWFCHRNG-INIZCTEOSA-N 1 0 303.362 2.110 10 0 DEAERO O=C(c1ccc(F)cc1)[C@H]1CCCN(CN2CCOC2=S)C1 ZINC000153485037 647485173 /nfs/dbraw/zinc/48/51/73/647485173.db2.gz VRMHJSMVHZNSLV-ZDUSSCGKSA-N 1 0 322.405 2.295 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733131978 647891008 /nfs/dbraw/zinc/89/10/08/647891008.db2.gz WEYVHVXUTLURIU-LBPRGKRZSA-N 1 0 324.856 2.405 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)NC1(C[NH3+])CCCC1 ZINC000154355922 647988237 /nfs/dbraw/zinc/98/82/37/647988237.db2.gz GOSJVDPVENAGEL-UHFFFAOYSA-N 1 0 306.454 2.086 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)OCC3(C)COC3)cc2)CC1 ZINC000175475815 648349899 /nfs/dbraw/zinc/34/98/99/648349899.db2.gz AQTJJSAEFCJVIP-UHFFFAOYSA-N 1 0 318.417 2.022 10 0 DEAERO CCN(c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314414 649076316 /nfs/dbraw/zinc/07/63/16/649076316.db2.gz NLPAYOHCUBFUJK-LLVKDONJSA-N 1 0 322.352 2.168 10 0 DEAERO CCOC(=O)CN1CCC(COC(=O)[C@H](C)CC(C)C)CC1 ZINC000184889535 649404101 /nfs/dbraw/zinc/40/41/01/649404101.db2.gz AIYWPNFHQBTHNK-CQSZACIVSA-N 1 0 313.438 2.487 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)COCc2ccccc2)C1 ZINC000073188298 649659575 /nfs/dbraw/zinc/65/95/75/649659575.db2.gz QEPUXTBSTYNIFX-QGZVFWFLSA-N 1 0 321.417 2.103 10 0 DEAERO Cn1nccc1C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989822 652082536 /nfs/dbraw/zinc/08/25/36/652082536.db2.gz LGVLXXWYXATMNC-MRXNPFEDSA-N 1 0 313.401 2.489 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)C[C@@H]2CSCCS2)CC1 ZINC000120769783 684100959 /nfs/dbraw/zinc/10/09/59/684100959.db2.gz WDDRCRAYRMLMSI-CQSZACIVSA-N 1 0 316.536 2.463 10 0 DEAERO Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(N)[nH+]1 ZINC000379700231 685392944 /nfs/dbraw/zinc/39/29/44/685392944.db2.gz RPMZUMKUEYJVJI-ZBFHGGJFSA-N 1 0 311.433 2.084 10 0 DEAERO Brc1c[nH]c(C[NH2+]CCCc2nccs2)n1 ZINC000391197198 685444477 /nfs/dbraw/zinc/44/44/77/685444477.db2.gz MPXWCAWKSSSMEC-UHFFFAOYSA-N 1 0 301.213 2.351 10 0 DEAERO [NH3+]C1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000036753803 683881344 /nfs/dbraw/zinc/88/13/44/683881344.db2.gz SUZCLDLLSMVWNT-JXMROGBWSA-N 1 0 300.811 2.064 10 0 DEAERO COc1csc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000080292808 683980417 /nfs/dbraw/zinc/98/04/17/683980417.db2.gz FMJNSCHYZODCMX-ZDUSSCGKSA-N 1 0 313.419 2.270 10 0 DEAERO COC(=O)COc1c(C)cc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1C ZINC000116343519 684065062 /nfs/dbraw/zinc/06/50/62/684065062.db2.gz VXQPHYGQCDGHIM-CVEARBPZSA-N 1 0 321.417 2.248 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)c3ccc(F)c(F)c3)C2)cn1 ZINC000116322901 684065076 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CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cncnc2)C1 ZINC000131363057 684199176 /nfs/dbraw/zinc/19/91/76/684199176.db2.gz WARWGTNLLCNGEV-UONOGXRCSA-N 1 0 306.410 2.402 10 0 DEAERO C/C(=C\C(=O)N1CCN(CCO)[C@H](C)C1)c1cccc(Cl)c1 ZINC000188694496 684361772 /nfs/dbraw/zinc/36/17/72/684361772.db2.gz PVPPAOBBWWTHSK-JWAFFJSPSA-N 1 0 322.836 2.268 10 0 DEAERO CCN(CC)c1ccc(CN2CCCNC(=O)[C@@H]2C)cc1F ZINC000189089361 684372790 /nfs/dbraw/zinc/37/27/90/684372790.db2.gz MHCAPDPSGSZZFJ-ZDUSSCGKSA-N 1 0 307.413 2.382 10 0 DEAERO CO[C@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@@H]1C ZINC000190198259 684398373 /nfs/dbraw/zinc/39/83/73/684398373.db2.gz WINIUSLLIGNDJR-NHYWBVRUSA-N 1 0 304.350 2.259 10 0 DEAERO O=C(CCOCC(F)F)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192229325 684445378 /nfs/dbraw/zinc/44/53/78/684445378.db2.gz RXHFFSXXQVJJFN-CQSZACIVSA-N 1 0 313.344 2.476 10 0 DEAERO Cc1csc([C@@H]2CCCN(CN3C(=O)CC(C)(C)C3=O)C2)n1 ZINC000195304865 685093754 /nfs/dbraw/zinc/09/37/54/685093754.db2.gz BWCDVXAGMOXDQQ-GFCCVEGCSA-N 1 0 321.446 2.374 10 0 DEAERO O=S(=O)(/C=C\c1ccccc1)NCCC[NH+]1CCCCC1 ZINC000211142369 685102900 /nfs/dbraw/zinc/10/29/00/685102900.db2.gz MGXVQVPEYCRZKK-GDNBJRDFSA-N 1 0 308.447 2.453 10 0 DEAERO O=S(=O)(/C=C\c1ccc(Cl)cc1)NCC[C@H]1CC[NH2+]C1 ZINC000215356150 685105268 /nfs/dbraw/zinc/10/52/68/685105268.db2.gz VITNTBZTPGEKPA-PGJNLMOESA-N 1 0 314.838 2.230 10 0 DEAERO CCC[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)C1 ZINC000246155573 685124380 /nfs/dbraw/zinc/12/43/80/685124380.db2.gz IBYGZNRGQYFWGE-CVEARBPZSA-N 1 0 304.438 2.262 10 0 DEAERO Cn1c2ccccc2n(CN2CC[N@@H+]3CCC[C@H]3C2)c1=S ZINC000246912385 685138845 /nfs/dbraw/zinc/13/88/45/685138845.db2.gz COLLXVPMSKPMJW-ZDUSSCGKSA-N 1 0 302.447 2.447 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000249120098 685175078 /nfs/dbraw/zinc/17/50/78/685175078.db2.gz ZCXDWDXFSVHVGG-PJIJBLCYSA-N 1 0 316.445 2.488 10 0 DEAERO CN(C[C@H]1CCCO1)CN1C[C@](C)(c2ccccc2)CC1=O ZINC000249292442 685177776 /nfs/dbraw/zinc/17/77/76/685177776.db2.gz WVHLQRCSMJTZTG-SJLPKXTDSA-N 1 0 302.418 2.245 10 0 DEAERO CCOCc1nc(Cl)cc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000252876039 685194584 /nfs/dbraw/zinc/19/45/84/685194584.db2.gz QSFXZDOHXMHKAV-VXGBXAGGSA-N 1 0 310.829 2.339 10 0 DEAERO O[C@@H](C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)c1cccnc1 ZINC000878173175 690335124 /nfs/dbraw/zinc/33/51/24/690335124.db2.gz PUHFKSNOFDLRFT-ROUUACIJSA-N 1 0 320.433 2.165 10 0 DEAERO CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)CC[C@H]1C(F)(F)F ZINC000886038220 691989952 /nfs/dbraw/zinc/98/99/52/691989952.db2.gz SITLTIFDKCFRQS-STQMWFEESA-N 1 0 301.312 2.113 10 0 DEAERO CCc1noc(CC)c1C[NH2+]C[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000886079580 691998553 /nfs/dbraw/zinc/99/85/53/691998553.db2.gz LXQJFTXLQGRLIW-PXAZEXFGSA-N 1 0 318.421 2.400 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnn(C)c1Cl ZINC000932412125 694609458 /nfs/dbraw/zinc/60/94/58/694609458.db2.gz YIKIGDPCPCQMMU-MNOVXSKESA-N 1 0 311.817 2.164 10 0 DEAERO CC(C)[C@](C)(CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000398536614 790278682 /nfs/dbraw/zinc/27/86/82/790278682.db2.gz DRWJNKMVFLKJSS-ZFWWWQNUSA-N 1 0 301.814 2.076 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(-c2cncc(Br)c2)no1 ZINC000722639441 776594998 /nfs/dbraw/zinc/59/49/98/776594998.db2.gz CRYIKLMHOQORDW-RKDXNWHRSA-N 1 0 323.194 2.292 10 0 DEAERO CN1C[C@H](CC[NH2+]Cc2sccc2Br)CC1=O ZINC000723553271 777121410 /nfs/dbraw/zinc/12/14/10/777121410.db2.gz RQKBYGZBFOUGMZ-SECBINFHSA-N 1 0 317.252 2.469 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1cn(C)cn1 ZINC000723825058 777175855 /nfs/dbraw/zinc/17/58/55/777175855.db2.gz WXXCEGQTTMUPPJ-CHWSQXEVSA-N 1 0 308.426 2.013 10 0 DEAERO C[C@](O)(C[NH+]1CCC(CCO)CC1)C(F)(F)C(F)(F)F ZINC000724056179 777231342 /nfs/dbraw/zinc/23/13/42/777231342.db2.gz DCLGIXWSZWLNCG-JTQLQIEISA-N 1 0 305.287 2.029 10 0 DEAERO CC[C@H]1C[C@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CCO1 ZINC000724668534 777453060 /nfs/dbraw/zinc/45/30/60/777453060.db2.gz DZUNIGZJZVDZNV-UPJWGTAASA-N 1 0 300.399 2.085 10 0 DEAERO COCCN(CC[NH2+]Cc1ccns1)C(=O)OC(C)(C)C ZINC000404463178 777464062 /nfs/dbraw/zinc/46/40/62/777464062.db2.gz VKICSKXOASCBNP-UHFFFAOYSA-N 1 0 315.439 2.116 10 0 DEAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC12CC(O)C2 ZINC000724915931 777520148 /nfs/dbraw/zinc/52/01/48/777520148.db2.gz VAKPRPVOUZLEQO-PEUXKQIOSA-N 1 0 312.454 2.286 10 0 DEAERO Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000724942689 777531011 /nfs/dbraw/zinc/53/10/11/777531011.db2.gz HLSJVQAAXLFMQQ-OLZOCXBDSA-N 1 0 306.410 2.445 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000725113353 777587793 /nfs/dbraw/zinc/58/77/93/777587793.db2.gz KFIDJZINMJZDHQ-LBPRGKRZSA-N 1 0 302.465 2.257 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1C ZINC000722563764 778783029 /nfs/dbraw/zinc/78/30/29/778783029.db2.gz BFEYMUATNUYXDP-GFCCVEGCSA-N 1 0 302.465 2.094 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c1C ZINC000722567720 778788683 /nfs/dbraw/zinc/78/86/83/778788683.db2.gz NNBIXJSEILTDIK-UFBFGSQYSA-N 1 0 302.465 2.174 10 0 DEAERO CO[C@@]1(C[NH2+][C@H](C)c2cc(C)sc2C)CCS(=O)(=O)C1 ZINC000721258026 781016691 /nfs/dbraw/zinc/01/66/91/781016691.db2.gz GGGSCMBVTQUCQV-BXUZGUMPSA-N 1 0 317.476 2.219 10 0 DEAERO Brc1ccc(-c2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)nc1 ZINC000721180053 784171241 /nfs/dbraw/zinc/17/12/41/784171241.db2.gz UGVPZJHQDHJMTB-WCABBAIRSA-N 1 0 321.178 2.217 10 0 DEAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Cc1c[nH]c2ncccc12 ZINC000186302851 784372323 /nfs/dbraw/zinc/37/23/23/784372323.db2.gz NMRRCXGGZLKNQG-AWEZNQCLSA-N 1 0 314.433 2.486 10 0 DEAERO Cn1cncc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721845482 787323059 /nfs/dbraw/zinc/32/30/59/787323059.db2.gz GGORZXFDICPUMQ-CYBMUJFWSA-N 1 0 308.426 2.155 10 0 DEAERO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000723836913 787345549 /nfs/dbraw/zinc/34/55/49/787345549.db2.gz RCERKDPXCNZSKS-TZMCWYRMSA-N 1 0 322.453 2.321 10 0 DEAERO CC[C@H]([NH2+]Cc1cn(C)nc1Br)[C@H]1CCCOC1 ZINC000723959420 787346112 /nfs/dbraw/zinc/34/61/12/787346112.db2.gz QYGPCPUAVZCUSE-JQWIXIFHSA-N 1 0 316.243 2.477 10 0 DEAERO c1ccc(CN2CCC[C@H]([NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)cc1 ZINC000724628390 787352251 /nfs/dbraw/zinc/35/22/51/787352251.db2.gz OFPYZWRLGLRXFD-XWSJACJDSA-N 1 0 316.445 2.045 10 0 DEAERO CON(C)C(=O)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000397521942 790196504 /nfs/dbraw/zinc/19/65/04/790196504.db2.gz JRUGLPTXBBZZPJ-SECBINFHSA-N 1 0 301.184 2.120 10 0 DEAERO CC/C=C(\C)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397658885 790209018 /nfs/dbraw/zinc/20/90/18/790209018.db2.gz ZKOHMYYQDJHQHE-FRKPEAEDSA-N 1 0 316.445 2.486 10 0 DEAERO Cn1cc(CNC[C@H]2CC[N@@H+]2C(C)(C)C)c(Br)n1 ZINC000712460394 792188873 /nfs/dbraw/zinc/18/88/73/792188873.db2.gz UATAXCPAHVKLES-LLVKDONJSA-N 1 0 315.259 2.145 10 0 DEAERO Cn1cc(C[NH2+]CC2CCSCC2)c(Br)n1 ZINC000712444652 792188945 /nfs/dbraw/zinc/18/89/45/792188945.db2.gz MYAPJZHUMNNRSR-UHFFFAOYSA-N 1 0 304.257 2.415 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCCCC2)s1 ZINC000713348169 792218785 /nfs/dbraw/zinc/21/87/85/792218785.db2.gz RIBBSBRINQNAPN-UHFFFAOYSA-N 1 0 302.465 2.339 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713792296 792244632 /nfs/dbraw/zinc/24/46/32/792244632.db2.gz IITNIFWIQBJISR-GXSJLCMTSA-N 1 0 313.195 2.060 10 0 DEAERO CC[N@@H+]1CCCN(Cc2cn(C)nc2Br)[C@H](C)C1 ZINC000713828048 792260374 /nfs/dbraw/zinc/26/03/74/792260374.db2.gz WOHXTDLXNXJPLM-LLVKDONJSA-N 1 0 315.259 2.099 10 0 DEAERO CC(C)CN(CC[NH+](C)C)Cc1cn(C)nc1Br ZINC000713828756 792260982 /nfs/dbraw/zinc/26/09/82/792260982.db2.gz YBUJNUMHPGWFOL-UHFFFAOYSA-N 1 0 317.275 2.202 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@H](CO)C2CCC2)C1 ZINC000714243020 792304114 /nfs/dbraw/zinc/30/41/14/792304114.db2.gz OIHBUUMYUJVDEK-DZGCQCFKSA-N 1 0 312.454 2.384 10 0 DEAERO CC(C)C1CC([NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000714629096 792325762 /nfs/dbraw/zinc/32/57/62/792325762.db2.gz CVYBSBCAHNXYHE-KVULBXGLSA-N 1 0 312.454 2.383 10 0 DEAERO [NH3+]CC1(C(=O)NCc2ncc(Br)s2)CCCC1 ZINC000714936215 792358991 /nfs/dbraw/zinc/35/89/91/792358991.db2.gz YAYPUIAJVFOEKE-UHFFFAOYSA-N 1 0 318.240 2.041 10 0 DEAERO O=S(=O)(CCCC1CC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000714986997 792365054 /nfs/dbraw/zinc/36/50/54/792365054.db2.gz ULQROENRVBOCNX-GJZGRUSLSA-N 1 0 300.468 2.113 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000715110919 792383121 /nfs/dbraw/zinc/38/31/21/792383121.db2.gz WECLSQIWUHPTIL-AVGNSLFASA-N 1 0 314.426 2.031 10 0 DEAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715150304 792398584 /nfs/dbraw/zinc/39/85/84/792398584.db2.gz CIHVYDKBDSGEON-NSHDSACASA-N 1 0 302.415 2.031 10 0 DEAERO CCOCCCNC(=S)N1CCC(CC)([NH+](C)C)CC1 ZINC000715214322 792404424 /nfs/dbraw/zinc/40/44/24/792404424.db2.gz SLDQEHBUENEQRS-UHFFFAOYSA-N 1 0 301.500 2.094 10 0 DEAERO CS(=O)(=O)C1CC([NH2+]Cc2ccccc2Br)C1 ZINC000716141248 792555861 /nfs/dbraw/zinc/55/58/61/792555861.db2.gz IBRZATSQLZWZLX-UHFFFAOYSA-N 1 0 318.236 2.114 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C2CC(S(C)(=O)=O)C2)cc1F ZINC000716141090 792555952 /nfs/dbraw/zinc/55/59/52/792555952.db2.gz ZPEMFJXONRROHV-OIKLOGQESA-N 1 0 301.383 2.061 10 0 DEAERO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)C1CC[NH2+]CC1 ZINC000716564541 792973766 /nfs/dbraw/zinc/97/37/66/792973766.db2.gz HGTMUUIUTSHGMQ-SECBINFHSA-N 1 0 320.817 2.146 10 0 DEAERO COC[C@@H](O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620179 792978706 /nfs/dbraw/zinc/97/87/06/792978706.db2.gz LNHVSFNVXGAUHL-RDGPPVDQSA-N 1 0 318.461 2.027 10 0 DEAERO c1nn(-c2ccccc2)cc1C[NH2+]CCOC[C@@H]1CCOC1 ZINC000068993835 795088072 /nfs/dbraw/zinc/08/80/72/795088072.db2.gz RMLQWCHPFJEXHA-OAHLLOKOSA-N 1 0 301.390 2.015 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CC2(CO)CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000717648443 799427870 /nfs/dbraw/zinc/42/78/70/799427870.db2.gz GYYMAAAWYYIVFI-KGLIPLIRSA-N 1 0 312.454 2.384 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCCC3)s1 ZINC000401454904 801828903 /nfs/dbraw/zinc/82/89/03/801828903.db2.gz YJKISLCEANUDDO-LBPRGKRZSA-N 1 0 314.476 2.264 10 0 DEAERO Fc1nccnc1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000402830107 801910318 /nfs/dbraw/zinc/91/03/18/801910318.db2.gz KUYBZBSIVONIBO-OAHLLOKOSA-N 1 0 300.381 2.362 10 0 DEAERO Cn1ccnc1C[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000404634565 802026392 /nfs/dbraw/zinc/02/63/92/802026392.db2.gz IEVCSCIZMKCCMK-UHFFFAOYSA-N 1 0 308.426 2.205 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cnccn2)C12CCC2 ZINC000404771847 802031448 /nfs/dbraw/zinc/03/14/48/802031448.db2.gz ZQPPVODVYYSMOD-UONOGXRCSA-N 1 0 318.421 2.402 10 0 DEAERO C[C@H](CCO)C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405246929 802045801 /nfs/dbraw/zinc/04/58/01/802045801.db2.gz GHCYNYRQLRKLJJ-MGPQQGTHSA-N 1 0 312.454 2.430 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC2(CO)CC2)C12CCC2 ZINC000405310520 802050559 /nfs/dbraw/zinc/05/05/59/802050559.db2.gz OKLFNESMAYVDJF-QWHCGFSZSA-N 1 0 310.438 2.184 10 0 DEAERO CCc1ccccc1C[NH2+]C1CCN(S(=O)(=O)CC)CC1 ZINC000052200664 1078526764 /nfs/dbraw/zinc/52/67/64/1078526764.db2.gz MIVAPNMFPUWMDB-UHFFFAOYSA-N 1 0 310.463 2.153 10 0 DEAERO C=CCOc1ccc(C[NH2+]C[C@@H](O)C2CCOCC2)cc1OC ZINC000076905237 1080404396 /nfs/dbraw/zinc/40/43/96/1080404396.db2.gz XVRZIJLJVSATDG-MRXNPFEDSA-N 1 0 321.417 2.137 10 0 DEAERO Cc1nn(C)c(C[NH2+][C@H]2CCCN3CCSC[C@H]23)c1Cl ZINC000720510353 1085268527 /nfs/dbraw/zinc/26/85/27/1085268527.db2.gz KGLZVZNSZIWCMA-WCQYABFASA-N 1 0 314.886 2.051 10 0 DEAERO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cn(C)nc1Br ZINC000720668135 1085836992 /nfs/dbraw/zinc/83/69/92/1085836992.db2.gz AGRNURYHRWGNPL-NXEZZACHSA-N 1 0 302.216 2.087 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1occc1Br ZINC000720829031 1086184339 /nfs/dbraw/zinc/18/43/39/1086184339.db2.gz LFENRQBYFJTQPI-WDEREUQCSA-N 1 0 313.195 2.351 10 0 DEAERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000701619958 1086371852 /nfs/dbraw/zinc/37/18/52/1086371852.db2.gz VIEGAMNSKCJOQO-UHFFFAOYSA-N 1 0 312.454 2.430 10 0 DEAERO C[C@@]12CN(Cc3cnc(N)cn3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702208146 1086414189 /nfs/dbraw/zinc/41/41/89/1086414189.db2.gz JEMXYKSVJXTECY-QFBILLFUSA-N 1 0 323.444 2.013 10 0 DEAERO COc1cccc(C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)c1 ZINC000703382505 1086497181 /nfs/dbraw/zinc/49/71/81/1086497181.db2.gz RRDJXNJIAPQEQQ-CYBMUJFWSA-N 1 0 308.378 2.336 10 0 DEAERO Cc1ccc(Br)cc1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703548723 1086515237 /nfs/dbraw/zinc/51/52/37/1086515237.db2.gz DKTPKGMMWRTZJC-XHDPSFHLSA-N 1 0 323.234 2.439 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)C12CCC2 ZINC000720936387 1086552570 /nfs/dbraw/zinc/55/25/70/1086552570.db2.gz LPVWXVYOQAWOFC-AAVRWANBSA-N 1 0 310.438 2.183 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(N)nn1 ZINC000703910727 1086567174 /nfs/dbraw/zinc/56/71/74/1086567174.db2.gz RYUQHKPPLFBXIL-OAHLLOKOSA-N 1 0 311.433 2.155 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[C@H]1CCSC1 ZINC000704892385 1086597291 /nfs/dbraw/zinc/59/72/91/1086597291.db2.gz NCWNQEWYXQCMJV-CWRNSKLLSA-N 1 0 322.474 2.178 10 0 DEAERO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000708372408 1086677886 /nfs/dbraw/zinc/67/78/86/1086677886.db2.gz LBQKKPBBENTMTP-UHFFFAOYSA-N 1 0 306.378 2.042 10 0 DEAERO CN(CCCCCC[NH3+])S(=O)(=O)c1ccc(Cl)cc1 ZINC000710683495 1086688301 /nfs/dbraw/zinc/68/83/01/1086688301.db2.gz IUGKFQGHHFWTRB-UHFFFAOYSA-N 1 0 304.843 2.480 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000710948531 1086691756 /nfs/dbraw/zinc/69/17/56/1086691756.db2.gz SNDRAXBIFHZBNR-ZDUSSCGKSA-N 1 0 314.426 2.127 10 0 DEAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CCC1(OC)OC ZINC000710998136 1086692512 /nfs/dbraw/zinc/69/25/12/1086692512.db2.gz TZDMSDOVZKMYTD-CHWSQXEVSA-N 1 0 316.442 2.373 10 0 DEAERO CC[C@H](CCO)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711491323 1087140306 /nfs/dbraw/zinc/14/03/06/1087140306.db2.gz MLEIGORWWBLIBO-MCIONIFRSA-N 1 0 300.443 2.288 10 0 DEAERO O=S(=O)(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cccc(Cl)c1F ZINC000711639997 1087175979 /nfs/dbraw/zinc/17/59/79/1087175979.db2.gz LHBRCCJAHSWESE-WCQYABFASA-N 1 0 318.801 2.042 10 0 DEAERO Cn1cncc1C[NH2+][C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711640748 1087184625 /nfs/dbraw/zinc/18/46/25/1087184625.db2.gz QHTOWTHFHGBVQK-PBHICJAKSA-N 1 0 320.437 2.442 10 0 DEAERO CC(C)(C)OC(=O)N1CC([NH2+][C@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000711840623 1087206401 /nfs/dbraw/zinc/20/64/01/1087206401.db2.gz OGSICFFWJSCUGA-DZGCQCFKSA-N 1 0 310.438 2.401 10 0 DEAERO C[C@](O)(C[NH2+][C@H]1CCO[C@H]1C1CC1)C(F)(F)C(F)(F)F ZINC000724022791 1143896405 /nfs/dbraw/zinc/89/64/05/1143896405.db2.gz MFHOHIOPIFSUTK-GUBZILKMSA-N 1 0 303.271 2.092 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2CC[C@H]1SCCS(C)(=O)=O ZINC000081768888 192323179 /nfs/dbraw/zinc/32/31/79/192323179.db2.gz KWPFSCMEIFBMJX-HUUCEWRRSA-N 1 0 313.488 2.430 10 0 DEAERO CCOC(=O)CSC[C@@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000081794980 192323966 /nfs/dbraw/zinc/32/39/66/192323966.db2.gz PSXATTNOJSBAFI-CYBMUJFWSA-N 1 0 313.419 2.261 10 0 DEAERO Cc1cc(C(=O)N(C)CC[NH+](C)C)sc1Br ZINC000081804622 192326988 /nfs/dbraw/zinc/32/69/88/192326988.db2.gz JFPOMRACNMEJDX-UHFFFAOYSA-N 1 0 305.241 2.453 10 0 DEAERO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)Sc1nnnn1C ZINC000081843729 192330713 /nfs/dbraw/zinc/33/07/13/192330713.db2.gz NSSTYHNPVLNVFN-GXFFZTMASA-N 1 0 307.423 2.050 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2CCC[C@@H]1Sc1nnnn1C ZINC000081845643 192332232 /nfs/dbraw/zinc/33/22/32/192332232.db2.gz HACXHFBYJBHYGX-UONOGXRCSA-N 1 0 303.435 2.358 10 0 DEAERO C[NH2+][C@H]1CCC2(C[C@@H]1Sc1nc(C)cc(C)n1)OCCO2 ZINC000081878179 192332721 /nfs/dbraw/zinc/33/27/21/192332721.db2.gz SDEBYDSDHGUJJD-STQMWFEESA-N 1 0 309.435 2.069 10 0 DEAERO CCCn1c(S[C@H]2CCc3ccccc3[C@H]2[NH3+])n[nH]c1=O ZINC000081879225 192332997 /nfs/dbraw/zinc/33/29/97/192332997.db2.gz KJWIESKPPNXLBB-QWHCGFSZSA-N 1 0 304.419 2.088 10 0 DEAERO CCCn1c(S[C@@H](C)[C@@H]([NH3+])c2ccc(C)cc2)n[nH]c1=O ZINC000081879296 192333070 /nfs/dbraw/zinc/33/30/70/192333070.db2.gz JUCXNQMUEPGMJM-WCQYABFASA-N 1 0 306.435 2.470 10 0 DEAERO [NH3+][C@@H]1CCC2(C[C@H]1Sc1nc3ccccc3[nH]1)OCCO2 ZINC000081862756 192333232 /nfs/dbraw/zinc/33/32/32/192333232.db2.gz KKCAWZNZNRZAEQ-ZWNOBZJWSA-N 1 0 305.403 2.278 10 0 DEAERO O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000261988262 295665571 /nfs/dbraw/zinc/66/55/71/295665571.db2.gz SNWPNPWBNIOTNP-PVAVHDDUSA-N 1 0 302.418 2.270 10 0 DEAERO C[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000081922750 192339671 /nfs/dbraw/zinc/33/96/71/192339671.db2.gz OJORPOJAXLUTJS-CMPLNLGQSA-N 1 0 324.229 2.144 10 0 DEAERO C[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000081922749 192340080 /nfs/dbraw/zinc/34/00/80/192340080.db2.gz OJORPOJAXLUTJS-ZYHUDNBSSA-N 1 0 324.229 2.144 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)CC)c1ccc(OC)cc1OC ZINC000081926285 192340531 /nfs/dbraw/zinc/34/05/31/192340531.db2.gz FXYQLJHSABHXKF-AWEZNQCLSA-N 1 0 315.435 2.179 10 0 DEAERO c1ccc(N2C[C@@H]3C[NH+](CCOC4CCOCC4)C[C@H]3C2)cc1 ZINC000625094882 365641438 /nfs/dbraw/zinc/64/14/38/365641438.db2.gz BCULYQGFKBYCFY-IRXDYDNUSA-N 1 0 316.445 2.250 10 0 DEAERO c1ccc(N2CCC[N@@H+](CCOC3CCOCC3)CC2)cc1 ZINC000625101438 365644076 /nfs/dbraw/zinc/64/40/76/365644076.db2.gz UACXEWDLMCAKLE-UHFFFAOYSA-N 1 0 304.434 2.394 10 0 DEAERO C[NH2+]Cc1cccc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000163533486 197636797 /nfs/dbraw/zinc/63/67/97/197636797.db2.gz NAUMEFLSNQUUPP-HOCLYGCPSA-N 1 0 308.447 2.359 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)CC(C)C)c1ccc2c(c1)OCO2 ZINC000081929424 192341533 /nfs/dbraw/zinc/34/15/33/192341533.db2.gz QVPMEBGZRIMTCY-ZDUSSCGKSA-N 1 0 313.419 2.137 10 0 DEAERO CC(C)[NH2+]CCS(=O)(=O)c1ccccc1Br ZINC000081932054 192341574 /nfs/dbraw/zinc/34/15/74/192341574.db2.gz QBMXVTKWROVUSF-UHFFFAOYSA-N 1 0 306.225 2.221 10 0 DEAERO CC(C)n1ncc(Br)c1C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000164509924 197655165 /nfs/dbraw/zinc/65/51/65/197655165.db2.gz CIOPGVIPIVQSFN-DTWKUNHWSA-N 1 0 300.200 2.407 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)[C@H](C)CC)c1ccc2c(c1)OCO2 ZINC000081937924 192342314 /nfs/dbraw/zinc/34/23/14/192342314.db2.gz FALDYFCIXMEOIG-DGCLKSJQSA-N 1 0 313.419 2.279 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936266 192342418 /nfs/dbraw/zinc/34/24/18/192342418.db2.gz ZZBHOKPQVLMUOS-UHFFFAOYSA-N 1 0 313.419 2.010 10 0 DEAERO CC[C@H]([NH2+]C)[C@H](C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936072 192342838 /nfs/dbraw/zinc/34/28/38/192342838.db2.gz CTNATFLGWRTPKR-AAEUAGOBSA-N 1 0 313.419 2.008 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(O)c2)c2ccccc2O1 ZINC000368009877 282139912 /nfs/dbraw/zinc/13/99/12/282139912.db2.gz XYWLQUFADUZYER-HNNXBMFYSA-N 1 0 312.369 2.362 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2cccc3c2OC(C)(C)C3)CCO1 ZINC000128157683 282140995 /nfs/dbraw/zinc/14/09/95/282140995.db2.gz ACMPAYGTFAOSMZ-INIZCTEOSA-N 1 0 304.434 2.163 10 0 DEAERO CC[C@@H](C)S(=O)(=O)C[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081937330 192343366 /nfs/dbraw/zinc/34/33/66/192343366.db2.gz IJTVZBXTFSRSAC-DGCLKSJQSA-N 1 0 313.419 2.061 10 0 DEAERO C[NH2+]CCc1ccccc1C(=O)c1c(Br)cnn1C ZINC000164699206 197661751 /nfs/dbraw/zinc/66/17/51/197661751.db2.gz LXMFFBFYNGLLQM-UHFFFAOYSA-N 1 0 322.206 2.176 10 0 DEAERO CCOC(=O)CN(C(=O)CC[C@@H](CC[NH3+])C(C)C)C(C)C ZINC000079277348 185162985 /nfs/dbraw/zinc/16/29/85/185162985.db2.gz RMVBAEANWKBXLX-AWEZNQCLSA-N 1 0 300.443 2.188 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@]1(C)CCC[NH2+]1)CCC2 ZINC000079520226 185173792 /nfs/dbraw/zinc/17/37/92/185173792.db2.gz GWTGLVHGBDRGMW-HNNXBMFYSA-N 1 0 308.403 2.104 10 0 DEAERO CCC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)S(=O)(=O)CCOC ZINC000081961901 192346083 /nfs/dbraw/zinc/34/60/83/192346083.db2.gz PQFPZAQXYZUZSW-HOCLYGCPSA-N 1 0 313.463 2.485 10 0 DEAERO C[C@@H]1CN(c2ccnc3cc(F)cnc32)CC[N@@H+]1CC(C)(C)O ZINC000286575534 219062068 /nfs/dbraw/zinc/06/20/68/219062068.db2.gz GMMIOFQFPGBQGY-GFCCVEGCSA-N 1 0 318.396 2.050 10 0 DEAERO CC(C)[NH2+][C@@H](CO)CSc1ccc(Br)cn1 ZINC000082905387 185209494 /nfs/dbraw/zinc/20/94/94/185209494.db2.gz LJSYWFHNQGBXJR-JTQLQIEISA-N 1 0 305.241 2.295 10 0 DEAERO CC[NH2+][C@@](C)(CO)CSc1ccc(Br)cn1 ZINC000082905411 185209576 /nfs/dbraw/zinc/20/95/76/185209576.db2.gz LHCRHHVSSIJQRD-NSHDSACASA-N 1 0 305.241 2.297 10 0 DEAERO CC[C@@H]1CN(c2cccc(I)c2)CC[NH2+]1 ZINC000083061330 185212371 /nfs/dbraw/zinc/21/23/71/185212371.db2.gz ZNBVKRAMLJDPPT-LLVKDONJSA-N 1 0 316.186 2.479 10 0 DEAERO C[C@@H](CNC(=O)N1CCC[C@@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC000171696893 282181115 /nfs/dbraw/zinc/18/11/15/282181115.db2.gz YNPUFKWUQYKNFF-WDEREUQCSA-N 1 0 307.360 2.453 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000087383425 185223129 /nfs/dbraw/zinc/22/31/29/185223129.db2.gz PWFWJZNEHHEVOY-LLVKDONJSA-N 1 0 314.227 2.128 10 0 DEAERO CCC[C@@H](C[NH3+])NC(=O)c1cc(F)ccc1Br ZINC000087387613 185223412 /nfs/dbraw/zinc/22/34/12/185223412.db2.gz DUKAYRUTJXIBDZ-VIFPVBQESA-N 1 0 303.175 2.445 10 0 DEAERO CCC[C@@H](C[NH3+])NC(=O)c1cc(Br)ccc1F ZINC000087387523 185223448 /nfs/dbraw/zinc/22/34/48/185223448.db2.gz BNMAHVLQOJDJKW-VIFPVBQESA-N 1 0 303.175 2.445 10 0 DEAERO COc1ccc(Br)c(C(=O)N[C@H](C[NH3+])C(C)C)c1 ZINC000087402940 185223638 /nfs/dbraw/zinc/22/36/38/185223638.db2.gz KSSAJQAQCKIKLF-GFCCVEGCSA-N 1 0 315.211 2.171 10 0 DEAERO CC(C)[NH2+]C[C@H](O)COc1ccc(Br)c(F)c1 ZINC000087430591 185224546 /nfs/dbraw/zinc/22/45/46/185224546.db2.gz IDANYWTWTYLJLO-VIFPVBQESA-N 1 0 306.175 2.326 10 0 DEAERO CC[NH2+][C@@H](CC(N)=O)c1ccc(OC(F)F)c(OCC)c1 ZINC000087549604 185228004 /nfs/dbraw/zinc/22/80/04/185228004.db2.gz VREQQJNMPHNRPL-JTQLQIEISA-N 1 0 302.321 2.213 10 0 DEAERO CC(C)[C@H]([NH3+])CS(=O)(=O)c1ccc(Br)cc1 ZINC000087539925 185228155 /nfs/dbraw/zinc/22/81/55/185228155.db2.gz UGVBRVXFKGVGEE-LLVKDONJSA-N 1 0 306.225 2.206 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1sccc1Br ZINC000087575691 185228714 /nfs/dbraw/zinc/22/87/14/185228714.db2.gz RAXZANFFCDHQEJ-CBAPKCEASA-N 1 0 303.225 2.254 10 0 DEAERO COc1ccc(Br)c(C[C@H]([NH3+])c2ncccn2)c1 ZINC000087791830 185232220 /nfs/dbraw/zinc/23/22/20/185232220.db2.gz OFADFKFQLFURMH-LBPRGKRZSA-N 1 0 308.179 2.490 10 0 DEAERO CC1(C)CCCN(S(=O)(=O)c2cccc(F)c2C[NH3+])CC1 ZINC000087657292 185229893 /nfs/dbraw/zinc/22/98/93/185229893.db2.gz OYFFPWSAHDTDJZ-UHFFFAOYSA-N 1 0 314.426 2.485 10 0 DEAERO Cc1nnc(SCc2cc(-c3ccco3)on2)n1CC[NH3+] ZINC000087714799 185231009 /nfs/dbraw/zinc/23/10/09/185231009.db2.gz OGVWEAUMAMEPJV-UHFFFAOYSA-N 1 0 305.363 2.086 10 0 DEAERO C[C@@H]1CC[C@H](C)CN1c1nc(NN)[nH+]cc1Br ZINC000087889638 185234832 /nfs/dbraw/zinc/23/48/32/185234832.db2.gz MGXONMAFPXNSOV-JGVFFNPUSA-N 1 0 300.204 2.150 10 0 DEAERO CC(C)[NH2+]C[C@H]1CC[C@H]1n1cc(I)cn1 ZINC000087923966 185237598 /nfs/dbraw/zinc/23/75/98/185237598.db2.gz PASAWQPQNHHEFP-MWLCHTKSSA-N 1 0 319.190 2.437 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CC[C@@H]1n1cc(I)cn1 ZINC000087923963 185237623 /nfs/dbraw/zinc/23/76/23/185237623.db2.gz PASAWQPQNHHEFP-ONGXEEELSA-N 1 0 319.190 2.437 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)[C@@H]1CCOc2ccccc21 ZINC000088019818 185237925 /nfs/dbraw/zinc/23/79/25/185237925.db2.gz LTUHVFWMQDURSQ-HIFRSBDPSA-N 1 0 311.447 2.356 10 0 DEAERO CC[C@@H]([NH3+])CS(=O)(=O)Cc1ccc(Br)s1 ZINC000088075083 185238989 /nfs/dbraw/zinc/23/89/89/185238989.db2.gz RLCFJGRSQFFRRX-SSDOTTSWSA-N 1 0 312.254 2.163 10 0 DEAERO C[C@H](CC[NH3+])S(=O)(=O)Cc1ccc(Br)cc1 ZINC000088088138 185239348 /nfs/dbraw/zinc/23/93/48/185239348.db2.gz NZSZHLXDFMYTQE-SECBINFHSA-N 1 0 306.225 2.101 10 0 DEAERO COc1ccc(Br)cc1C[C@H]([NH3+])[C@H]1CCOC1 ZINC000087804412 185232504 /nfs/dbraw/zinc/23/25/04/185232504.db2.gz XLYBFBCDQUSZPJ-CABZTGNLSA-N 1 0 300.196 2.364 10 0 DEAERO CCN(C)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173498940 282190870 /nfs/dbraw/zinc/19/08/70/282190870.db2.gz VZYISIAJMMTZBG-KRWDZBQOSA-N 1 0 319.449 2.093 10 0 DEAERO C[C@H](Nc1nc(NN)[nH+]cc1Br)c1ccccn1 ZINC000087853560 185233709 /nfs/dbraw/zinc/23/37/09/185233709.db2.gz SOAGKDCLGPYVRY-ZETCQYMHSA-N 1 0 309.171 2.093 10 0 DEAERO CC[NH2+][C@H](Cc1ccccc1Br)[C@H]1COCCO1 ZINC000087857921 185233841 /nfs/dbraw/zinc/23/38/41/185233841.db2.gz OQOHLKMLGKYMFU-ZIAGYGMSSA-N 1 0 314.223 2.385 10 0 DEAERO Cc1c[nH+]c(NN)nc1NCc1ccccc1Br ZINC000087864116 185233913 /nfs/dbraw/zinc/23/39/13/185233913.db2.gz IMKHFZOIKHZZAA-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO CC(C)N(CC1CC1)c1nc(NN)[nH+]cc1Br ZINC000087866772 185233921 /nfs/dbraw/zinc/23/39/21/185233921.db2.gz JRROABJKEFWLJH-UHFFFAOYSA-N 1 0 300.204 2.150 10 0 DEAERO COC[C@@H](O)COc1c(Cl)cccc1C[NH2+]CC(C)C ZINC000165583457 197678397 /nfs/dbraw/zinc/67/83/97/197678397.db2.gz QGUJLMRODSXDIE-CYBMUJFWSA-N 1 0 301.814 2.472 10 0 DEAERO Cc1nc(NCc2ccc(Br)cc2)cc(NN)[nH+]1 ZINC000087884682 185234313 /nfs/dbraw/zinc/23/43/13/185234313.db2.gz ZRWPHOBUCUVNED-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO Nc1nc(CC[NH+]2CCN(c3ccc(F)cc3)CC2)cs1 ZINC000088193207 185241543 /nfs/dbraw/zinc/24/15/43/185241543.db2.gz QIIOQPNSOOSXLO-UHFFFAOYSA-N 1 0 306.410 2.229 10 0 DEAERO c1cn(C[C@@H]2CCC[N@H+](Cc3nc4cccnc4s3)C2)nn1 ZINC000328899857 231380197 /nfs/dbraw/zinc/38/01/97/231380197.db2.gz XTBHGFYLPBDCFP-GFCCVEGCSA-N 1 0 314.418 2.195 10 0 DEAERO CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCCC[C@@H]1O)C(C)C ZINC000174354536 282193644 /nfs/dbraw/zinc/19/36/44/282193644.db2.gz QHQOWSLKIOVDHL-HOTGVXAUSA-N 1 0 313.486 2.346 10 0 DEAERO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328934975 231392821 /nfs/dbraw/zinc/39/28/21/231392821.db2.gz FKVMHDLWVFCGGT-BURFUSLBSA-N 1 0 319.449 2.125 10 0 DEAERO CC(C)[NH2+][C@H]1CCN(c2c3nsnc3ccc2Cl)C1=O ZINC000088128057 185240439 /nfs/dbraw/zinc/24/04/39/185240439.db2.gz IFGJDSIGHCNGRU-JTQLQIEISA-N 1 0 310.810 2.448 10 0 DEAERO NC(=S)CC1(C[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000088256859 185244064 /nfs/dbraw/zinc/24/40/64/185244064.db2.gz IRVBCVKBEHWTPJ-UHFFFAOYSA-N 1 0 303.475 2.261 10 0 DEAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000088276951 185244752 /nfs/dbraw/zinc/24/47/52/185244752.db2.gz UJOCBTCMGBTCDR-GFCCVEGCSA-N 1 0 312.435 2.040 10 0 DEAERO COc1ccc(Br)c(-n2cc(C(C)(C)[NH3+])nn2)c1 ZINC000088322014 185245635 /nfs/dbraw/zinc/24/56/35/185245635.db2.gz AGQFRBFPHQXPQP-UHFFFAOYSA-N 1 0 311.183 2.232 10 0 DEAERO O=c1c2cc(Br)ccc2ncn1C[C@H]1CCCC[NH2+]1 ZINC000088452955 185251609 /nfs/dbraw/zinc/25/16/09/185251609.db2.gz BZXZCRUCQAENMM-LLVKDONJSA-N 1 0 322.206 2.301 10 0 DEAERO CC[C@H](C)Oc1cccc(NS(=O)(=O)[C@@H](CC)C[NH3+])c1 ZINC000088473796 185252142 /nfs/dbraw/zinc/25/21/42/185252142.db2.gz NMJPYDVJVFBFSN-FZMZJTMJSA-N 1 0 300.424 2.343 10 0 DEAERO CCOc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177249680 282201716 /nfs/dbraw/zinc/20/17/16/282201716.db2.gz MZDSQLKZVZMPBN-NVXWUHKLSA-N 1 0 304.434 2.238 10 0 DEAERO C[C@H](CCCO)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000088480315 185252944 /nfs/dbraw/zinc/25/29/44/185252944.db2.gz BAXUCVHEJCUNGK-OAHLLOKOSA-N 1 0 319.449 2.243 10 0 DEAERO [NH3+]Cc1ccc(CC(=O)N2CCC(C(F)(F)F)CC2)cc1 ZINC000088416631 185249106 /nfs/dbraw/zinc/24/91/06/185249106.db2.gz OFZIWFPBRPEGHV-UHFFFAOYSA-N 1 0 300.324 2.489 10 0 DEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N(C)CCC(F)(F)F)cc1 ZINC000088432895 185249635 /nfs/dbraw/zinc/24/96/35/185249635.db2.gz BMWOHHKZYKKGRU-SECBINFHSA-N 1 0 310.341 2.279 10 0 DEAERO C[C@H]([NH3+])c1cccc(S(=O)(=O)N(C)CCC(F)(F)F)c1 ZINC000088432906 185249722 /nfs/dbraw/zinc/24/97/22/185249722.db2.gz YQBRUDTTZKGQFD-VIFPVBQESA-N 1 0 310.341 2.279 10 0 DEAERO CN[C@](C)(CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000088435225 185249910 /nfs/dbraw/zinc/24/99/10/185249910.db2.gz DBYSJMHAZLFTPH-WCQYABFASA-N 1 0 310.360 2.192 10 0 DEAERO CCCN[C@H](CC[NH+]1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000088435474 185250286 /nfs/dbraw/zinc/25/02/86/185250286.db2.gz KZMJJMPUFVXERK-GFCCVEGCSA-N 1 0 310.360 2.192 10 0 DEAERO [NH3+]C[C@](O)(CN1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000088439789 185250811 /nfs/dbraw/zinc/25/08/11/185250811.db2.gz LXRSRPLSAMJSJW-AWEZNQCLSA-N 1 0 302.340 2.107 10 0 DEAERO CC[NH2+][C@@H](Cc1nc2ccccc2o1)C(C)(C)S(C)(=O)=O ZINC000088518436 185254582 /nfs/dbraw/zinc/25/45/82/185254582.db2.gz CEBHDWWHACUQPJ-ZDUSSCGKSA-N 1 0 310.419 2.172 10 0 DEAERO C[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000088516398 185254765 /nfs/dbraw/zinc/25/47/65/185254765.db2.gz LQHIZMVKICASBZ-CJNGLKHVSA-N 1 0 310.463 2.435 10 0 DEAERO CC(C)C[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)C(C)C)o1 ZINC000088541824 185255579 /nfs/dbraw/zinc/25/55/79/185255579.db2.gz NITOUYMDEPSYEX-GFCCVEGCSA-N 1 0 302.440 2.348 10 0 DEAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)NC)o1 ZINC000088540204 185255866 /nfs/dbraw/zinc/25/58/66/185255866.db2.gz NJCSLEOPHBJAAP-AAEUAGOBSA-N 1 0 300.424 2.246 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCC(C)CC2)o1 ZINC000088543410 185256413 /nfs/dbraw/zinc/25/64/13/185256413.db2.gz XGZOWGHNRPIFFQ-UHFFFAOYSA-N 1 0 300.424 2.198 10 0 DEAERO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000088704715 185262702 /nfs/dbraw/zinc/26/27/02/185262702.db2.gz XAAQYXYWJAIQRW-VXGBXAGGSA-N 1 0 305.447 2.380 10 0 DEAERO CCC[NH2+][C@H](c1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 ZINC000088556545 185258043 /nfs/dbraw/zinc/25/80/43/185258043.db2.gz STBYYLSAGZKCHY-ZBFHGGJFSA-N 1 0 311.447 2.308 10 0 DEAERO CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000088836768 185266737 /nfs/dbraw/zinc/26/67/37/185266737.db2.gz DEAODQJHHJCSMO-CQSZACIVSA-N 1 0 300.399 2.094 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000088715640 185262981 /nfs/dbraw/zinc/26/29/81/185262981.db2.gz MYOYJWRBMQSWOY-OAHLLOKOSA-N 1 0 308.447 2.148 10 0 DEAERO C[NH2+][C@H]1CCC[C@@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982648 192349939 /nfs/dbraw/zinc/34/99/39/192349939.db2.gz LDKJXTCJKQPJJX-RYUDHWBXSA-N 1 0 318.236 2.363 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000341603197 282218128 /nfs/dbraw/zinc/21/81/28/282218128.db2.gz FUQRRJZYHWRYQD-MJBXVCDLSA-N 1 0 305.426 2.129 10 0 DEAERO CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)C2CCOCC2)C1 ZINC000081989749 192351156 /nfs/dbraw/zinc/35/11/56/192351156.db2.gz DVGSZUNWQQVWMD-KWCYVHTRSA-N 1 0 303.468 2.122 10 0 DEAERO CCCN(Cc1c(Br)c(C)nn1CC)C1C[NH2+]C1 ZINC000090294057 185289926 /nfs/dbraw/zinc/28/99/26/185289926.db2.gz MHZTXYXSRDZKSK-UHFFFAOYSA-N 1 0 315.259 2.158 10 0 DEAERO CC[NH2+]Cc1cn(-c2cc(OC)ccc2Br)nn1 ZINC000090300343 185290045 /nfs/dbraw/zinc/29/00/45/185290045.db2.gz SEJKADLHGKCCCG-UHFFFAOYSA-N 1 0 311.183 2.148 10 0 DEAERO C[C@H](c1cccc(Br)c1)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308055 185290283 /nfs/dbraw/zinc/29/02/83/185290283.db2.gz MJOFUAFAVCEQFK-GFCCVEGCSA-N 1 0 324.266 2.100 10 0 DEAERO Cc1cc(Br)ccc1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C ZINC000090325623 185291046 /nfs/dbraw/zinc/29/10/46/185291046.db2.gz SPVBNJQZEJOBHE-MJVIPROJSA-N 1 0 323.234 2.437 10 0 DEAERO CCn1c2ccc(Br)cc2nc1[C@H]1COC[C@H]1[NH3+] ZINC000090363758 185292746 /nfs/dbraw/zinc/29/27/46/185292746.db2.gz XUUNLOAKNCVUBK-VHSXEESVSA-N 1 0 310.195 2.260 10 0 DEAERO [NH3+][C@H]1COC[C@H]1c1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000090364593 185292822 /nfs/dbraw/zinc/29/28/22/185292822.db2.gz QGDSQTQMWZTUSS-KCJUWKMLSA-N 1 0 314.172 2.408 10 0 DEAERO [NH3+][C@H]1CCC2(C[C@H]1[S@](=O)c1ccc(Cl)cc1)OCCO2 ZINC000082000524 192353992 /nfs/dbraw/zinc/35/39/92/192353992.db2.gz GNOBAZGJPRCXSJ-RDXCRGQUSA-N 1 0 315.822 2.071 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000090487825 185298947 /nfs/dbraw/zinc/29/89/47/185298947.db2.gz ZLFSSUYBTKJERQ-NWDGAFQWSA-N 1 0 313.195 2.012 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1c1nc2cc(Br)ccc2n1C ZINC000090388589 185293959 /nfs/dbraw/zinc/29/39/59/185293959.db2.gz DFJBPGZXTHTOCX-GXSJLCMTSA-N 1 0 310.195 2.038 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CSCC(F)(F)F ZINC000090420373 185295489 /nfs/dbraw/zinc/29/54/89/185295489.db2.gz BQHGZIZTWSBPQQ-JTQLQIEISA-N 1 0 300.390 2.374 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000090431445 185295964 /nfs/dbraw/zinc/29/59/64/185295964.db2.gz GATUYKIZHZQVSK-WPRPVWTQSA-N 1 0 303.189 2.475 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000090432827 185296030 /nfs/dbraw/zinc/29/60/30/185296030.db2.gz BSUFMSHNAATDRM-QWRGUYRKSA-N 1 0 302.346 2.174 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000090433701 185296129 /nfs/dbraw/zinc/29/61/29/185296129.db2.gz XIMDZKXHXLGCAQ-AAEUAGOBSA-N 1 0 312.797 2.300 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000090434941 185296361 /nfs/dbraw/zinc/29/63/61/185296361.db2.gz BCLISUWPEZZWAG-LSDHHAIUSA-N 1 0 308.809 2.065 10 0 DEAERO CCN(CC)C(=O)COc1cccc2c(C[C@@H](C)[NH3+])c[nH]c21 ZINC000090449499 185297026 /nfs/dbraw/zinc/29/70/26/185297026.db2.gz IJLIDEAXTZUTER-GFCCVEGCSA-N 1 0 303.406 2.305 10 0 DEAERO CS(=O)(=O)CCCn1cc(C[NH3+])c2ccc(Cl)cc21 ZINC000166694113 197696814 /nfs/dbraw/zinc/69/68/14/197696814.db2.gz SSFUABWBSFPOOJ-UHFFFAOYSA-N 1 0 300.811 2.188 10 0 DEAERO [NH3+]C[C@H](Cc1cccc(F)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000166713029 197696843 /nfs/dbraw/zinc/69/68/43/197696843.db2.gz GLOVWBPKWANUSB-QWRGUYRKSA-N 1 0 305.802 2.031 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(Cl)c3cccnc23)COC[C@@H]1[NH3+] ZINC000090589699 185305571 /nfs/dbraw/zinc/30/55/71/185305571.db2.gz MTZFWSUPRIBARV-WFASDCNBSA-N 1 0 305.765 2.191 10 0 DEAERO C[C@@]1(C(=O)Nc2cc(C(F)(F)F)ccc2F)COC[C@H]1[NH3+] ZINC000090603854 185306149 /nfs/dbraw/zinc/30/61/49/185306149.db2.gz CCIWZXJILSMFFM-ZYHUDNBSSA-N 1 0 306.259 2.147 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000090541148 185301867 /nfs/dbraw/zinc/30/18/67/185301867.db2.gz SPLNQZQLHNBNBH-GXFFZTMASA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCSc2ccccc21 ZINC000090543502 185302079 /nfs/dbraw/zinc/30/20/79/185302079.db2.gz AOAXGGSRJOUNJY-QWHCGFSZSA-N 1 0 306.431 2.140 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000090544851 185302198 /nfs/dbraw/zinc/30/21/98/185302198.db2.gz IOWKCKSYLSOFIY-JOYOIKCWSA-N 1 0 302.296 2.057 10 0 DEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1c(F)cccc1F ZINC000090699865 185310332 /nfs/dbraw/zinc/31/03/32/185310332.db2.gz USDOWVJHASMWLF-NSHDSACASA-N 1 0 314.401 2.474 10 0 DEAERO Cc1cc(C(=O)N2CCCSC[C@H]2C[NH+]2CCCC2)no1 ZINC000090700853 185310616 /nfs/dbraw/zinc/31/06/16/185310616.db2.gz RTCLLVDFFGSVQD-CYBMUJFWSA-N 1 0 309.435 2.027 10 0 DEAERO CCC[NH2+]C[C@H]1CCCN(c2ncncc2Br)C1 ZINC000090782641 185311924 /nfs/dbraw/zinc/31/19/24/185311924.db2.gz GEWLJKFGOPZZDN-LLVKDONJSA-N 1 0 313.243 2.455 10 0 DEAERO C[C@@H](CC[NH3+])[S@@](=O)CCOc1ccc(Br)cc1 ZINC000166923884 197701501 /nfs/dbraw/zinc/70/15/01/197701501.db2.gz VGJHXFJPPDEXEY-DYZYQPBXSA-N 1 0 320.252 2.314 10 0 DEAERO CC[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cnn(C)c1 ZINC000090666669 185308691 /nfs/dbraw/zinc/30/86/91/185308691.db2.gz PUDCDAHVCWLVJD-NSHDSACASA-N 1 0 301.316 2.413 10 0 DEAERO CCS(=O)(=O)CCn1nc(C)c([C@@H](C)C[NH2+]C(C)C)c1C ZINC000092323569 185312217 /nfs/dbraw/zinc/31/22/17/185312217.db2.gz VBKDMOZAXOLMBA-LBPRGKRZSA-N 1 0 315.483 2.036 10 0 DEAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CCCN(c4cccnn4)C3)C[C@H]2C1 ZINC000333567496 282957972 /nfs/dbraw/zinc/95/79/72/282957972.db2.gz LZCLWMJPFZRMHK-BQJWPVKWSA-N 1 0 316.449 2.239 10 0 DEAERO CCCS(=O)(=O)[C@H]1CCc2ccc(OC)cc2[C@H]1[NH2+]CC ZINC000092388652 185315442 /nfs/dbraw/zinc/31/54/42/185315442.db2.gz DRXFUXLGDNWOAE-JKSUJKDBSA-N 1 0 311.447 2.485 10 0 DEAERO CC(C)[C@H](CO)[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000092393004 185315659 /nfs/dbraw/zinc/31/56/59/185315659.db2.gz GLWMQSJELVFWBW-LBPRGKRZSA-N 1 0 304.312 2.294 10 0 DEAERO CCS(=O)(=O)CCn1nc(C)c([C@H](C)C[NH2+]C(C)C)c1C ZINC000092323572 185312237 /nfs/dbraw/zinc/31/22/37/185312237.db2.gz VBKDMOZAXOLMBA-GFCCVEGCSA-N 1 0 315.483 2.036 10 0 DEAERO CC1CCC(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000179895527 282233760 /nfs/dbraw/zinc/23/37/60/282233760.db2.gz PWKLFAWUNGWIRA-OFLPRAFFSA-N 1 0 308.466 2.384 10 0 DEAERO [NH3+]C1(c2noc([C@@H]3COCCN3CC3CCC3)n2)CCCCC1 ZINC000333568244 282958192 /nfs/dbraw/zinc/95/81/92/282958192.db2.gz MASGXZUYPAWYKW-AWEZNQCLSA-N 1 0 320.437 2.361 10 0 DEAERO CCCN(CC[NH+](C)C)c1cc2c(cc1Cl)C(=O)C(=O)N2 ZINC000092772580 185339790 /nfs/dbraw/zinc/33/97/90/185339790.db2.gz HNKLPHWLWGGGQC-UHFFFAOYSA-N 1 0 309.797 2.253 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 ZINC000293033337 282255572 /nfs/dbraw/zinc/25/55/72/282255572.db2.gz GKCZHESJHZFNPJ-ZDUSSCGKSA-N 1 0 315.417 2.083 10 0 DEAERO CC1(C)C(CNS(=O)(=O)c2cc(C[NH3+])ccc2F)C1(C)C ZINC000092833107 185344796 /nfs/dbraw/zinc/34/47/96/185344796.db2.gz ABEQVJNXTNLBPT-UHFFFAOYSA-N 1 0 314.426 2.245 10 0 DEAERO CCC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)C(C)C ZINC000092859270 185346900 /nfs/dbraw/zinc/34/69/00/185346900.db2.gz WKLOPLVLCSVFEL-JKSUJKDBSA-N 1 0 311.447 2.484 10 0 DEAERO CC[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1Sc1nncn1C ZINC000092860533 185347269 /nfs/dbraw/zinc/34/72/69/185347269.db2.gz YRZXHKKBFXQRQU-KBPBESRZSA-N 1 0 304.419 2.191 10 0 DEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000092953384 185350469 /nfs/dbraw/zinc/35/04/69/185350469.db2.gz YFRORTZCQHQGPJ-QWRGUYRKSA-N 1 0 304.781 2.462 10 0 DEAERO CCC[NH2+][C@H](Cc1ccn(C(C)C)n1)C(C)(C)S(C)(=O)=O ZINC000168531567 197724547 /nfs/dbraw/zinc/72/45/47/197724547.db2.gz YYCZBRFZZFLGCT-CQSZACIVSA-N 1 0 315.483 2.198 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)CCc1ccccc1F ZINC000036191031 539333834 /nfs/dbraw/zinc/33/38/34/539333834.db2.gz PSLDUWJZYDUJBT-ZDUSSCGKSA-N 1 0 316.442 2.018 10 0 DEAERO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@H]1CCCO1 ZINC000035735574 539334204 /nfs/dbraw/zinc/33/42/04/539334204.db2.gz IWUBRRBQJFYGRU-NOZJJQNGSA-N 1 0 307.781 2.234 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000186448398 282307251 /nfs/dbraw/zinc/30/72/51/282307251.db2.gz ZNNKDTPIUMFINL-IBGZPJMESA-N 1 0 323.396 2.419 10 0 DEAERO COc1ccc(C[C@@H]2[C@@H](O)C3CC[NH+]2CC3)cc1OC(C)C ZINC000169966658 197762530 /nfs/dbraw/zinc/76/25/30/197762530.db2.gz HJVZMJRHWBATRZ-QAPCUYQASA-N 1 0 305.418 2.480 10 0 DEAERO CN1CC[C@@H](C[N@H+](C)[C@H]2CCCC[C@@H]2O)[C@@H]1c1cccnc1 ZINC000328649782 529955019 /nfs/dbraw/zinc/95/50/19/529955019.db2.gz VCHNCXOESHLYPT-XSLAGTTESA-N 1 0 303.450 2.310 10 0 DEAERO COCCN1CCC[N@H+](Cc2c(C)cc(C)cc2C)CC1=O ZINC000190765893 282326173 /nfs/dbraw/zinc/32/61/73/282326173.db2.gz JRAKYSQNAFDTEP-UHFFFAOYSA-N 1 0 304.434 2.293 10 0 DEAERO COCCN1CCC[N@H+](Cc2cc(C)c(C)cc2C)CC1=O ZINC000191702420 282334314 /nfs/dbraw/zinc/33/43/14/282334314.db2.gz FFYVUYOTMZPOTF-UHFFFAOYSA-N 1 0 304.434 2.293 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000089451657 539410911 /nfs/dbraw/zinc/41/09/11/539410911.db2.gz UYTSZVLEXLAMGJ-VHSXEESVSA-N 1 0 310.781 2.425 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000107346775 185477084 /nfs/dbraw/zinc/47/70/84/185477084.db2.gz QDZRRPSLCJEYQF-HUUCEWRRSA-N 1 0 311.470 2.001 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2cnc([C@H]3CCCO3)s2)CC1 ZINC000089719609 539413035 /nfs/dbraw/zinc/41/30/35/539413035.db2.gz ANJPVKAAZDPEEF-GFCCVEGCSA-N 1 0 309.435 2.161 10 0 DEAERO O=C(Cc1ccccc1O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107779415 185492321 /nfs/dbraw/zinc/49/23/21/185492321.db2.gz QMLUZIGEATYTRE-MRXNPFEDSA-N 1 0 302.418 2.412 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2ccncc2)CC[N@@H+]1C ZINC000092362426 539424936 /nfs/dbraw/zinc/42/49/36/539424936.db2.gz YJFFYYZXIORQFD-GOEBONIOSA-N 1 0 318.465 2.483 10 0 DEAERO Cc1ccc(Br)cc1NC(=O)COC1(C)C[NH2+]C1 ZINC000098060742 539435809 /nfs/dbraw/zinc/43/58/09/539435809.db2.gz XXUAILIDRPUONS-UHFFFAOYSA-N 1 0 313.195 2.075 10 0 DEAERO CC1(OCC(=O)Nc2cc(C(F)(F)F)ccc2F)C[NH2+]C1 ZINC000098060731 539435987 /nfs/dbraw/zinc/43/59/87/539435987.db2.gz RYLXGEVQHULRGC-UHFFFAOYSA-N 1 0 306.259 2.162 10 0 DEAERO Cc1cc(C)n(-c2ccc(C(=O)N3CCC4(CC[NH2+]4)CC3)cc2)n1 ZINC000333787112 282965632 /nfs/dbraw/zinc/96/56/32/282965632.db2.gz FNFNKROJNHHQER-UHFFFAOYSA-N 1 0 324.428 2.457 10 0 DEAERO COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000245452575 282389532 /nfs/dbraw/zinc/38/95/32/282389532.db2.gz DRBPXTJZDFDKSM-KFWWJZLASA-N 1 0 312.454 2.058 10 0 DEAERO CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000181737936 199345708 /nfs/dbraw/zinc/34/57/08/199345708.db2.gz OFJUFBAIODQPLQ-CYBMUJFWSA-N 1 0 321.421 2.218 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cncnc3)C2)nc1 ZINC000122046966 539460600 /nfs/dbraw/zinc/46/06/00/539460600.db2.gz WFOFTRLJJCSSQW-HNNXBMFYSA-N 1 0 311.389 2.031 10 0 DEAERO COC(=O)CC1(CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC000615565842 362642060 /nfs/dbraw/zinc/64/20/60/362642060.db2.gz FLDAJPHXWRLRSQ-OAHLLOKOSA-N 1 0 322.449 2.101 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)N[C@]2(C[NH3+])CCC[C@@H](C)C2)c1 ZINC000111373872 185590081 /nfs/dbraw/zinc/59/00/81/185590081.db2.gz WJLWVSJUHRQZJC-CZUORRHYSA-N 1 0 310.463 2.489 10 0 DEAERO CS(=O)(=O)c1ccc(N[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000111376823 185590647 /nfs/dbraw/zinc/59/06/47/185590647.db2.gz MCBJFBICJFQZLB-HNNXBMFYSA-N 1 0 304.415 2.072 10 0 DEAERO CC[C@@H]([NH3+])Cc1c(Sc2n[nH]c(C)n2)nc2sccn12 ZINC000111588325 185614888 /nfs/dbraw/zinc/61/48/88/185614888.db2.gz JROIKIREMCJCDF-MRVPVSSYSA-N 1 0 308.436 2.253 10 0 DEAERO CCCn1c(Sc2ccc(C[C@@H]([NH3+])CC)cc2)n[nH]c1=O ZINC000111585810 185614908 /nfs/dbraw/zinc/61/49/08/185614908.db2.gz RVEASHBXWCEPIF-LBPRGKRZSA-N 1 0 306.435 2.412 10 0 DEAERO CCC(CC)(C[NH3+])Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000111823037 185639463 /nfs/dbraw/zinc/63/94/63/185639463.db2.gz FBUHHXJZAJZMMS-UHFFFAOYSA-N 1 0 311.451 2.057 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000114926907 185650411 /nfs/dbraw/zinc/65/04/11/185650411.db2.gz RMNXFMYHDRSHPR-KBPBESRZSA-N 1 0 307.442 2.029 10 0 DEAERO C/C(=C\c1ccc(C)cc1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000181977367 199369561 /nfs/dbraw/zinc/36/95/61/199369561.db2.gz YEURYDLGNDYPMT-JMPLCFMRSA-N 1 0 302.418 2.187 10 0 DEAERO C[C@@H]([NH2+]Cc1nccn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279659954 215039625 /nfs/dbraw/zinc/03/96/25/215039625.db2.gz DBGYAVRWKHUZAG-OLZOCXBDSA-N 1 0 308.426 2.155 10 0 DEAERO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(Br)c(F)c2)CCO1 ZINC000123809033 185844461 /nfs/dbraw/zinc/84/44/61/185844461.db2.gz PCCNORSMKZEHSG-TVQRCGJNSA-N 1 0 317.202 2.136 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000123912079 185855940 /nfs/dbraw/zinc/85/59/40/185855940.db2.gz ZPZYUJBORPNFTG-IUODEOHRSA-N 1 0 316.426 2.325 10 0 DEAERO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000123911833 185855952 /nfs/dbraw/zinc/85/59/52/185855952.db2.gz ZPZYUJBORPNFTG-SWLSCSKDSA-N 1 0 316.426 2.325 10 0 DEAERO CC(C)(C)OC(=O)NCC[NH2+]Cc1cccc2c1OCCCO2 ZINC000083454442 192371568 /nfs/dbraw/zinc/37/15/68/192371568.db2.gz HDCNUBSGKGNIJG-UHFFFAOYSA-N 1 0 322.405 2.462 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000263169309 282974320 /nfs/dbraw/zinc/97/43/20/282974320.db2.gz FOIVYOOQUYHTKR-HBNTYKKESA-N 1 0 318.343 2.482 10 0 DEAERO CCc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1C ZINC000182008339 199373604 /nfs/dbraw/zinc/37/36/04/199373604.db2.gz NRJXELKZPQPEHY-UHFFFAOYSA-N 1 0 319.449 2.478 10 0 DEAERO CC(C)(C)OC(=O)NCC[C@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616684608 362908944 /nfs/dbraw/zinc/90/89/44/362908944.db2.gz LRDABXRJJMKGEO-ZDUSSCGKSA-N 1 0 320.437 2.161 10 0 DEAERO CC[N@@H+]1CCC[C@@H](Nc2ncc(Br)c(OC)n2)C1 ZINC000180423223 539645002 /nfs/dbraw/zinc/64/50/02/539645002.db2.gz AVCQDJWTZSABQD-SECBINFHSA-N 1 0 315.215 2.144 10 0 DEAERO CCCN(CC[N@H+](C)Cc1ccc(F)cc1)CC(=O)N(C)C ZINC000181652333 539652609 /nfs/dbraw/zinc/65/26/09/539652609.db2.gz RDKAVSRBQNPXKP-UHFFFAOYSA-N 1 0 309.429 2.058 10 0 DEAERO CCC[NH2+]Cc1c(C)nn(C)c1-n1cc(C(F)(F)F)cn1 ZINC000070467026 190899553 /nfs/dbraw/zinc/89/95/53/190899553.db2.gz BLOJXGXLIYAQRM-UHFFFAOYSA-N 1 0 301.316 2.433 10 0 DEAERO O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCn2ccnc21 ZINC000080499528 192161760 /nfs/dbraw/zinc/16/17/60/192161760.db2.gz CSMLKLUWLVBGLL-HNNXBMFYSA-N 1 0 304.438 2.143 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000182253402 539656138 /nfs/dbraw/zinc/65/61/38/539656138.db2.gz BRIVPJBSSPKJJR-CYBMUJFWSA-N 1 0 304.390 2.469 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)[C@H](C)[C@@H]1OC ZINC000333830249 282975927 /nfs/dbraw/zinc/97/59/27/282975927.db2.gz MKKTVAITEZMIAM-ZNMIVQPWSA-N 1 0 323.481 2.364 10 0 DEAERO CC[NH2+]CCC[C@@H](C)n1cc(I)cn1 ZINC000070678926 190911116 /nfs/dbraw/zinc/91/11/16/190911116.db2.gz QLPLMPUBEQKBSS-SECBINFHSA-N 1 0 307.179 2.438 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC2(CO)CCC2)cc1NC(C)=O ZINC000184536014 539668627 /nfs/dbraw/zinc/66/86/27/539668627.db2.gz JTHCJAWULZDOFX-GFCCVEGCSA-N 1 0 306.406 2.467 10 0 DEAERO C[NH2+][C@H](c1sc(C)cc1Br)[C@@H]1COCCO1 ZINC000083678377 192377719 /nfs/dbraw/zinc/37/77/19/192377719.db2.gz ZRCSAXKMQLGOEB-UWVGGRQHSA-N 1 0 306.225 2.495 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)N2CCCCCCC2)ccc1F ZINC000071239463 190947584 /nfs/dbraw/zinc/94/75/84/190947584.db2.gz VNUXQNNFEPGXNB-UHFFFAOYSA-N 1 0 300.399 2.239 10 0 DEAERO Cn1c2ccc(C[NH2+]C[C@@H]3CCCC[C@@H]3O)cc2sc1=O ZINC000192588989 539708942 /nfs/dbraw/zinc/70/89/42/539708942.db2.gz VBVGVZHHNLCXIW-JSGCOSHPSA-N 1 0 306.431 2.241 10 0 DEAERO NC(=[NH2+])C1(NS(=O)(=O)C2CCCCC2)CCCCCC1 ZINC000083761903 192381764 /nfs/dbraw/zinc/38/17/64/192381764.db2.gz SWZXAEIJMKQJHL-UHFFFAOYSA-N 1 0 301.456 2.267 10 0 DEAERO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC([NH+](C)C)CC1 ZINC000193816533 539715369 /nfs/dbraw/zinc/71/53/69/539715369.db2.gz ROYPUSPNQFZNKN-ANQUJSFKSA-N 1 0 309.498 2.342 10 0 DEAERO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC([NH+](C)C)CC1 ZINC000193814194 539715398 /nfs/dbraw/zinc/71/53/98/539715398.db2.gz GHZNOWCMXHFVMQ-CABCVRRESA-N 1 0 315.461 2.379 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000194640214 539718831 /nfs/dbraw/zinc/71/88/31/539718831.db2.gz OSWGGZPCQQLPGX-HNNXBMFYSA-N 1 0 315.417 2.028 10 0 DEAERO C[NH2+][C@H](COC)Cc1ccc(I)cc1 ZINC000083850784 192386722 /nfs/dbraw/zinc/38/67/22/192386722.db2.gz KTQCWHKQKRMNMH-NSHDSACASA-N 1 0 305.159 2.068 10 0 DEAERO Cc1ccc(NC(=O)CSC(N)=[NH2+])c(Br)c1 ZINC000084147522 192406699 /nfs/dbraw/zinc/40/66/99/192406699.db2.gz MWZUHAREMCRDDB-UHFFFAOYSA-N 1 0 302.197 2.323 10 0 DEAERO CCC[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000133313495 185973581 /nfs/dbraw/zinc/97/35/81/185973581.db2.gz LBLZOOVGZLXBDA-GFCCVEGCSA-N 1 0 302.465 2.209 10 0 DEAERO CCOc1cccn2c1nc(C)c2C(=O)NCC[NH+](CC)CC ZINC000071474899 190983483 /nfs/dbraw/zinc/98/34/83/190983483.db2.gz WKRKVVKVQHGPLP-UHFFFAOYSA-N 1 0 318.421 2.113 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CN(c2ncc(Br)cc2Cl)CCO1 ZINC000235187623 539736696 /nfs/dbraw/zinc/73/66/96/539736696.db2.gz OAWFHPJKSPXYMZ-XCBNKYQSSA-N 1 0 320.618 2.050 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Br)c(O)c1 ZINC000235308273 539737335 /nfs/dbraw/zinc/73/73/35/539737335.db2.gz YZZDCQMMJFBIIP-GZMMTYOYSA-N 1 0 313.195 2.025 10 0 DEAERO C[C@H]([NH3+])c1nc2cc(F)ccc2n1CC(=O)N1CCCCC1 ZINC000071663637 191000649 /nfs/dbraw/zinc/00/06/49/191000649.db2.gz JGJIGMXHZNQIBE-NSHDSACASA-N 1 0 304.369 2.208 10 0 DEAERO Cn1cc([C@H](c2c[nH]c3ccccc23)N2CC[NH+](C)CC2)cn1 ZINC000071704266 191011610 /nfs/dbraw/zinc/01/16/10/191011610.db2.gz IJQKRSKWZNKYSI-GOSISDBHSA-N 1 0 309.417 2.238 10 0 DEAERO CNc1nc(-c2ccc([C@H](O)CC[NH3+])cc2)c(C(C)=O)s1 ZINC000071677276 191006110 /nfs/dbraw/zinc/00/61/10/191006110.db2.gz BFAXSLVKUFTHKR-GFCCVEGCSA-N 1 0 305.403 2.437 10 0 DEAERO COc1ccc2c(c1)[C@H](C[NH3+])N(CCc1c(C)nn(C)c1C)C2 ZINC000071683129 191006831 /nfs/dbraw/zinc/00/68/31/191006831.db2.gz GOTPHJGFRXPXPC-SFHVURJKSA-N 1 0 314.433 2.104 10 0 DEAERO Cn1ccnc1CN1Cc2c(cccc2C(F)(F)F)[C@H]1C[NH3+] ZINC000071684182 191008419 /nfs/dbraw/zinc/00/84/19/191008419.db2.gz WSLVQNMESSRFHG-CYBMUJFWSA-N 1 0 310.323 2.455 10 0 DEAERO [NH3+]Cc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000071699873 191009586 /nfs/dbraw/zinc/00/95/86/191009586.db2.gz BNXBAGXOXXWXCB-OAHLLOKOSA-N 1 0 304.777 2.262 10 0 DEAERO Cc1ccc([C@H]2N[C@H](C)C(=O)N2CC(C)(C)C[NH+](C)C)s1 ZINC000138201850 186014858 /nfs/dbraw/zinc/01/48/58/186014858.db2.gz FHFVTGZSGKFUIG-OCCSQVGLSA-N 1 0 309.479 2.463 10 0 DEAERO C[NH+]1CCN(c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)CC1 ZINC000072118794 191038477 /nfs/dbraw/zinc/03/84/77/191038477.db2.gz RNZVZKMMNKCPIK-UHFFFAOYSA-N 1 0 320.400 2.286 10 0 DEAERO CC[C@@H]1CCN(S(=O)(=O)c2cc(C[NH2+]C)cc(F)c2F)C1 ZINC000139293882 186021687 /nfs/dbraw/zinc/02/16/87/186021687.db2.gz YMYIQOIRJCPWDF-SNVBAGLBSA-N 1 0 318.389 2.105 10 0 DEAERO C[C@H]1CCCCN1S(=O)(=O)Nc1cccc(CCC[NH3+])c1 ZINC000139531996 186022891 /nfs/dbraw/zinc/02/28/91/186022891.db2.gz DRJHCVIIWWADSE-ZDUSSCGKSA-N 1 0 311.451 2.109 10 0 DEAERO Cn1cccc1C(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072169029 191068694 /nfs/dbraw/zinc/06/86/94/191068694.db2.gz UPJXUBNDQCVZHZ-SFHVURJKSA-N 1 0 323.440 2.340 10 0 DEAERO CCC[C@@H]1N[C@@H](c2ccsc2)N(C2CC[NH+](C)CC2)C1=O ZINC000141186459 186029049 /nfs/dbraw/zinc/02/90/49/186029049.db2.gz OAFJHUQGLUQZHS-LSDHHAIUSA-N 1 0 307.463 2.441 10 0 DEAERO CC(C)CCCCNS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000147412754 186039456 /nfs/dbraw/zinc/03/94/56/186039456.db2.gz VSUFDOHKEXTGPX-UHFFFAOYSA-N 1 0 302.415 2.389 10 0 DEAERO CCC[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)c3ccccc32)C1 ZINC000147875340 186042105 /nfs/dbraw/zinc/04/21/05/186042105.db2.gz OHOXMUGKZCCHMM-CZUORRHYSA-N 1 0 309.431 2.238 10 0 DEAERO CC[NH+](CC)CCOc1nc(NC)ncc1Br ZINC000147989141 186042384 /nfs/dbraw/zinc/04/23/84/186042384.db2.gz OZJRHQUIYQQJQG-UHFFFAOYSA-N 1 0 303.204 2.001 10 0 DEAERO [NH3+]CC1(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)CCC1 ZINC000147905105 186042772 /nfs/dbraw/zinc/04/27/72/186042772.db2.gz ANHOKCREMHDLID-ZIAGYGMSSA-N 1 0 312.479 2.019 10 0 DEAERO CCC[NH2+]Cc1cc(S(=O)(=O)NCC(F)F)cc(C)c1F ZINC000148174384 186043308 /nfs/dbraw/zinc/04/33/08/186043308.db2.gz HDCPVMLWEACKOE-UHFFFAOYSA-N 1 0 324.368 2.177 10 0 DEAERO CC(C)[NH2+]Cc1cc(S(=O)(=O)NCC(F)F)cn1C(C)C ZINC000148173176 186043334 /nfs/dbraw/zinc/04/33/34/186043334.db2.gz ZUUQUTYCGVEPBA-UHFFFAOYSA-N 1 0 323.409 2.110 10 0 DEAERO CCc1ccc(C[C@@H](C[C@H]2CCS(=O)(=O)C2)[NH2+]C)s1 ZINC000143200734 186033323 /nfs/dbraw/zinc/03/33/23/186033323.db2.gz QOJNJDOFQPSMCL-VXGBXAGGSA-N 1 0 301.477 2.266 10 0 DEAERO CCn1nc(C)c(Br)c1C[NH2+]C(C)(C)[C@H](C)O ZINC000144920137 186035907 /nfs/dbraw/zinc/03/59/07/186035907.db2.gz OXYUVOOXDNZGAT-VIFPVBQESA-N 1 0 304.232 2.223 10 0 DEAERO C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@H]1C)c1ccccc1Br ZINC000149070739 186047018 /nfs/dbraw/zinc/04/70/18/186047018.db2.gz KENBYIWHCJOKRB-FOGDFJRCSA-N 1 0 311.223 2.482 10 0 DEAERO CC1CCC(C[NH3+])(NS(=O)(=O)CCc2ccccc2)CC1 ZINC000149264300 186048425 /nfs/dbraw/zinc/04/84/25/186048425.db2.gz OQUMJHSUYKWGRZ-UHFFFAOYSA-N 1 0 310.463 2.056 10 0 DEAERO COc1ccc(CC[NH3+])cc1OCc1cn2ccsc2n1 ZINC000149277835 186048907 /nfs/dbraw/zinc/04/89/07/186048907.db2.gz NUHBWGHOMJTZKG-UHFFFAOYSA-N 1 0 303.387 2.485 10 0 DEAERO CCCN([C@@](C)(CC)C[NH3+])S(=O)(=O)CCc1ccccc1 ZINC000149276669 186049255 /nfs/dbraw/zinc/04/92/55/186049255.db2.gz CIMSRZHYZUDJBY-INIZCTEOSA-N 1 0 312.479 2.398 10 0 DEAERO C[C@@H](O)[C@@](C[NH3+])(Cc1cn2ccsc2n1)c1ccccc1 ZINC000149588671 186051721 /nfs/dbraw/zinc/05/17/21/186051721.db2.gz UVGUAZDFCLVMAZ-WBMJQRKESA-N 1 0 301.415 2.216 10 0 DEAERO O=C1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2Br)N1 ZINC000149790376 186053048 /nfs/dbraw/zinc/05/30/48/186053048.db2.gz QWMPBBCWBKPYKZ-JTQLQIEISA-N 1 0 317.614 2.471 10 0 DEAERO C[NH2+][C@@H](Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000150048353 186053954 /nfs/dbraw/zinc/05/39/54/186053954.db2.gz VBAWCGXWLQXAKV-YPMHNXCESA-N 1 0 321.364 2.271 10 0 DEAERO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000248956324 539777223 /nfs/dbraw/zinc/77/72/23/539777223.db2.gz AOOBEGIAPLYRON-IAGOWNOFSA-N 1 0 308.466 2.166 10 0 DEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)C1(C)C ZINC000249087937 539778373 /nfs/dbraw/zinc/77/83/73/539778373.db2.gz UILNGEWAHBEZDD-GGXPGOJBSA-N 1 0 316.445 2.439 10 0 DEAERO CCC[NH2+][C@@H](c1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000150179026 186055582 /nfs/dbraw/zinc/05/55/82/186055582.db2.gz UBHUJNFKCPZDSS-QMTHXVAHSA-N 1 0 303.374 2.440 10 0 DEAERO [NH3+]Cc1sc([C@@H]2CCS(=O)(=O)C2)nc1-c1ccccc1 ZINC000150326642 186056864 /nfs/dbraw/zinc/05/68/64/186056864.db2.gz CGHKDBJGWYKXEL-LLVKDONJSA-N 1 0 308.428 2.171 10 0 DEAERO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCOc2ccccc23)[C@H](C[NH3+])C1 ZINC000261828995 539787580 /nfs/dbraw/zinc/78/75/80/539787580.db2.gz ORKBLIMCYJSPPD-PGSNGQOISA-N 1 0 314.429 2.313 10 0 DEAERO COCC1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000152421749 186071059 /nfs/dbraw/zinc/07/10/59/186071059.db2.gz PLCVFBWFKDCZAK-MRXNPFEDSA-N 1 0 311.470 2.175 10 0 DEAERO CCc1ncc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000152635214 186092203 /nfs/dbraw/zinc/09/22/03/186092203.db2.gz JHYWVNIDFBHDLS-CQSZACIVSA-N 1 0 305.426 2.281 10 0 DEAERO COc1ccc(OC)c(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000155679736 186102590 /nfs/dbraw/zinc/10/25/90/186102590.db2.gz OBHPAEITGMGGRS-CJNGLKHVSA-N 1 0 320.433 2.091 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)COc1ccc(F)cc1Cl ZINC000155715151 186105373 /nfs/dbraw/zinc/10/53/73/186105373.db2.gz ZYETYERHKSXTAS-QWRGUYRKSA-N 1 0 314.788 2.409 10 0 DEAERO CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000163948908 186143607 /nfs/dbraw/zinc/14/36/07/186143607.db2.gz PYMGMPVBJWNBSM-SECBINFHSA-N 1 0 309.797 2.483 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000164135579 186149730 /nfs/dbraw/zinc/14/97/30/186149730.db2.gz LJIJUGNQBBDCNE-HUUCEWRRSA-N 1 0 317.433 2.425 10 0 DEAERO COc1ccc(C[NH2+]C[C@H](C)[S@@](C)=O)cc1OC(F)F ZINC000159644792 186132450 /nfs/dbraw/zinc/13/24/50/186132450.db2.gz XYTHRWYYNHRCEQ-LXGOIASLSA-N 1 0 307.362 2.153 10 0 DEAERO C[NH2+][C@@H](CCSC)Cc1c(Br)c(C)nn1C ZINC000163850715 186140647 /nfs/dbraw/zinc/14/06/47/186140647.db2.gz WPSOJDWIWGMAPK-VIFPVBQESA-N 1 0 306.273 2.375 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC000163880788 186141094 /nfs/dbraw/zinc/14/10/94/186141094.db2.gz OQZAWJNFDUFMNT-LBPRGKRZSA-N 1 0 312.822 2.488 10 0 DEAERO CCCn1ncc(OC)c1C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000164281182 186154398 /nfs/dbraw/zinc/15/43/98/186154398.db2.gz UMOCRXDZVRWOJB-GFCCVEGCSA-N 1 0 305.300 2.026 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164410246 186158898 /nfs/dbraw/zinc/15/88/98/186158898.db2.gz CJQKTBURCZXNBW-VIFPVBQESA-N 1 0 310.419 2.281 10 0 DEAERO O=C(c1coc(Br)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171442169 186161003 /nfs/dbraw/zinc/16/10/03/186161003.db2.gz BMRKFEDVYUWDOV-LLVKDONJSA-N 1 0 313.195 2.352 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2nnc(C(F)F)s2)CC[N@@H+]1C ZINC000175647350 186184861 /nfs/dbraw/zinc/18/48/61/186184861.db2.gz ZPLMLOVFXCYJGJ-HTQZYQBOSA-N 1 0 319.381 2.422 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000187991236 186240517 /nfs/dbraw/zinc/24/05/17/186240517.db2.gz INEVCNNMIGWWKB-KBXCAEBGSA-N 1 0 304.434 2.371 10 0 DEAERO Cc1ccsc1CNC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000188008883 186242718 /nfs/dbraw/zinc/24/27/18/186242718.db2.gz MSGDHNHHYRWZFN-LRDDRELGSA-N 1 0 310.463 2.156 10 0 DEAERO COc1ccc(NC(=O)C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)cc1 ZINC000188021137 186244938 /nfs/dbraw/zinc/24/49/38/186244938.db2.gz IHYLILMJZONJCP-DYVFJYSZSA-N 1 0 306.406 2.117 10 0 DEAERO O=C(NCCc1ccc(Cl)s1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171902594 198005016 /nfs/dbraw/zinc/00/50/16/198005016.db2.gz XORXYLFQFJLKPS-NSHDSACASA-N 1 0 313.854 2.434 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cccnc2Cl)CC1 ZINC000171922229 198009013 /nfs/dbraw/zinc/00/90/13/198009013.db2.gz TXYQIBLCYLMRCQ-INIZCTEOSA-N 1 0 322.884 2.337 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172035328 198029240 /nfs/dbraw/zinc/02/92/40/198029240.db2.gz URRLDRFSXRODLP-NUKBIBLZSA-N 1 0 323.824 2.155 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H](O)CC(C)(C)C ZINC000172296781 198072660 /nfs/dbraw/zinc/07/26/60/198072660.db2.gz AHDIWOXZFROVFJ-AWEZNQCLSA-N 1 0 322.449 2.154 10 0 DEAERO O=C(N[C@@H](Cc1ccccc1)C1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172495035 198105824 /nfs/dbraw/zinc/10/58/24/198105824.db2.gz ZVXZVIRHZQNKKU-MSOLQXFVSA-N 1 0 313.445 2.497 10 0 DEAERO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)c2)n1 ZINC000333880874 282985654 /nfs/dbraw/zinc/98/56/54/282985654.db2.gz DLFLYRJQLDQPRM-MELADBBJSA-N 1 0 313.405 2.429 10 0 DEAERO CCN(C(=O)c1ccncc1Br)[C@H]1CC[N@H+](C)C1 ZINC000617553697 363180153 /nfs/dbraw/zinc/18/01/53/363180153.db2.gz OECRHPQPQUSTRT-JTQLQIEISA-N 1 0 312.211 2.010 10 0 DEAERO COC(=O)c1cc2cc(CN3CC[NH+](C4CC4)CC3)ccc2o1 ZINC000172764721 198147261 /nfs/dbraw/zinc/14/72/61/198147261.db2.gz DAYDBEHCVRUOGX-UHFFFAOYSA-N 1 0 314.385 2.499 10 0 DEAERO Cc1nc(C)c(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)s1 ZINC000172792821 198150147 /nfs/dbraw/zinc/15/01/47/198150147.db2.gz QGPSLRBDCFYYEL-UHFFFAOYSA-N 1 0 319.478 2.201 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172800536 198151510 /nfs/dbraw/zinc/15/15/10/198151510.db2.gz WYBVLMZYUYNSAF-GXTWGEPZSA-N 1 0 323.387 2.462 10 0 DEAERO C[C@H]1C[C@@H]([N@H+](C)CCCS(=O)(=O)c2ccccc2)CCN1C ZINC000172846469 198157111 /nfs/dbraw/zinc/15/71/11/198157111.db2.gz NQTFLDASUJODRU-HOTGVXAUSA-N 1 0 324.490 2.265 10 0 DEAERO Cc1nc(C)c(Br)c(N2CCC([NH+](C)C)CC2)n1 ZINC000322940744 539903333 /nfs/dbraw/zinc/90/33/33/539903333.db2.gz HPFYEPCVHIRCJD-UHFFFAOYSA-N 1 0 313.243 2.386 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000072859229 191243721 /nfs/dbraw/zinc/24/37/21/191243721.db2.gz MMQKTTCYOCNSTP-LBPRGKRZSA-N 1 0 311.376 2.177 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCn3ccnc3C2)cc1 ZINC000329715369 539928008 /nfs/dbraw/zinc/92/80/08/539928008.db2.gz UWURMTNBJHNNDV-SWLSCSKDSA-N 1 0 324.384 2.134 10 0 DEAERO COc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000173188259 198194029 /nfs/dbraw/zinc/19/40/29/198194029.db2.gz IBPFTBGWEVHBRF-DZGCQCFKSA-N 1 0 305.422 2.319 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2cccc(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000173270069 198204402 /nfs/dbraw/zinc/20/44/02/198204402.db2.gz QBMOZFXOXBAZNX-ZBFHGGJFSA-N 1 0 305.422 2.304 10 0 DEAERO O=C(Nc1ccc([C@H]2CCOC2)cc1)N[C@@H]1CCCC[NH2+]C1 ZINC000333258821 539953344 /nfs/dbraw/zinc/95/33/44/539953344.db2.gz DQOHYVXIAWCRBD-GOEBONIOSA-N 1 0 303.406 2.454 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2F)CC[N@@H+]1C ZINC000173278800 198205356 /nfs/dbraw/zinc/20/53/56/198205356.db2.gz SQBDOYMHSQTRKW-JQWIXIFHSA-N 1 0 318.389 2.068 10 0 DEAERO Cc1cnc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000333176528 539950513 /nfs/dbraw/zinc/95/05/13/539950513.db2.gz LONUQWRVFTVOAT-GXTWGEPZSA-N 1 0 304.394 2.464 10 0 DEAERO Cc1csc([C@@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)n1 ZINC000173506458 198221466 /nfs/dbraw/zinc/22/14/66/198221466.db2.gz WYPNCUUZALVOQQ-KGLIPLIRSA-N 1 0 320.462 2.392 10 0 DEAERO CCc1cnc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000173513573 198222783 /nfs/dbraw/zinc/22/27/83/198222783.db2.gz NAXBAAPFSFWCQD-RYUDHWBXSA-N 1 0 308.451 2.084 10 0 DEAERO C[C@@H](CCc1cccc(F)c1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000173522655 198223980 /nfs/dbraw/zinc/22/39/80/198223980.db2.gz WSGJWZNLOFVSJF-YOEHRIQHSA-N 1 0 322.424 2.183 10 0 DEAERO COCc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000173810969 198254553 /nfs/dbraw/zinc/25/45/53/198254553.db2.gz FULLKBGBODEYDT-WMLDXEAASA-N 1 0 319.449 2.457 10 0 DEAERO CCc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1F ZINC000182088357 199385804 /nfs/dbraw/zinc/38/58/04/199385804.db2.gz CPGHOBOVCCDMFB-CHWSQXEVSA-N 1 0 323.412 2.307 10 0 DEAERO COc1cc(OC)cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000174225368 198308553 /nfs/dbraw/zinc/30/85/53/198308553.db2.gz FCFMXHNRYFQKNZ-GOOCMWNKSA-N 1 0 318.417 2.449 10 0 DEAERO Cc1ccccc1[C@H](C)CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174313949 198317793 /nfs/dbraw/zinc/31/77/93/198317793.db2.gz LNOACOHUCHTWNS-BRWVUGGUSA-N 1 0 318.461 2.402 10 0 DEAERO O[C@H](CNc1cncc(Br)c1)C[NH+]1CCCCC1 ZINC000174684445 198370313 /nfs/dbraw/zinc/37/03/13/198370313.db2.gz FROOVRIICIYKTK-CYBMUJFWSA-N 1 0 314.227 2.103 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)N(C)Cc2cccs2)CC[N@@H+]1C ZINC000174873773 198395650 /nfs/dbraw/zinc/39/56/50/198395650.db2.gz OHAJSQFTGCSGIE-UONOGXRCSA-N 1 0 309.479 2.121 10 0 DEAERO Cc1nc(C)c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000174880565 198397106 /nfs/dbraw/zinc/39/71/06/198397106.db2.gz SHSRMNRWGLWDGL-UHFFFAOYSA-N 1 0 305.353 2.422 10 0 DEAERO CCOc1cc2c(cc1NC(=O)N1CC[NH2+]C[C@@H]1C)O[C@H](C)C2 ZINC000333153800 282921679 /nfs/dbraw/zinc/92/16/79/282921679.db2.gz MSFDGXYAAJZMMW-NWDGAFQWSA-N 1 0 319.405 2.234 10 0 DEAERO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)CCO1 ZINC000449251210 535249791 /nfs/dbraw/zinc/24/97/91/535249791.db2.gz NWKWUYGHPLIQHE-GOEBONIOSA-N 1 0 311.447 2.383 10 0 DEAERO COc1ccc([C@H](O)C[N@H+](C)Cc2ccccc2N)cc1OC ZINC000039375014 354168469 /nfs/dbraw/zinc/16/84/69/354168469.db2.gz XOJFVTPWEZEOND-MRXNPFEDSA-N 1 0 316.401 2.451 10 0 DEAERO COc1ccc([C@@H](CNc2ncnc3nc[nH]c32)[NH+](C)C)cc1 ZINC000032828989 354154766 /nfs/dbraw/zinc/15/47/66/354154766.db2.gz AOMMPYRHUYRAHQ-CYBMUJFWSA-N 1 0 312.377 2.076 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000236787937 202008491 /nfs/dbraw/zinc/00/84/91/202008491.db2.gz DTTOIOWUYRDXJQ-MRXNPFEDSA-N 1 0 318.417 2.292 10 0 DEAERO Cc1ccccc1CN(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000042299638 354192078 /nfs/dbraw/zinc/19/20/78/354192078.db2.gz PVMBUUSTGZTOMR-UHFFFAOYSA-N 1 0 315.461 2.170 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2cccs2)CC1 ZINC000176865245 198630564 /nfs/dbraw/zinc/63/05/64/198630564.db2.gz LLXOMTKBRGIAPI-CQSZACIVSA-N 1 0 324.490 2.232 10 0 DEAERO CN1CCO[C@H](C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000180492367 283024680 /nfs/dbraw/zinc/02/46/80/283024680.db2.gz YXKDMAKHPKXQCT-IUODEOHRSA-N 1 0 310.825 2.474 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)NCc1cccc(O)c1)c1ccccc1 ZINC000057183552 354561021 /nfs/dbraw/zinc/56/10/21/354561021.db2.gz LCGDADQZDWNKEM-KRWDZBQOSA-N 1 0 313.401 2.494 10 0 DEAERO CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000063342656 354645098 /nfs/dbraw/zinc/64/50/98/354645098.db2.gz GZOSMCFACFVIKE-AWEZNQCLSA-N 1 0 318.417 2.209 10 0 DEAERO Cc1cccc2nc(CNC(=O)c3c[nH+]ccc3N(C)C)n(C)c21 ZINC000183610674 199621068 /nfs/dbraw/zinc/62/10/68/199621068.db2.gz HIUHHHNXDIOTMY-UHFFFAOYSA-N 1 0 323.400 2.273 10 0 DEAERO CCc1nc(C)c2c(n1)N(CC[NH+]1CCCCC1)C(=O)CC2 ZINC000065289309 354681558 /nfs/dbraw/zinc/68/15/58/354681558.db2.gz ZHHNXPTWAKKWQO-UHFFFAOYSA-N 1 0 302.422 2.113 10 0 DEAERO COC(=O)c1ccc(N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)nn1 ZINC000068768207 354829741 /nfs/dbraw/zinc/82/97/41/354829741.db2.gz QYYUYFNMQHNOMU-CYBMUJFWSA-N 1 0 318.421 2.472 10 0 DEAERO Cc1ccc(Br)c(C(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000618192090 363410076 /nfs/dbraw/zinc/41/00/76/363410076.db2.gz ANRKTWJMOKNLDF-UHFFFAOYSA-N 1 0 311.223 2.391 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)NC1(CCO)CCCCC1 ZINC000360801048 283083249 /nfs/dbraw/zinc/08/32/49/283083249.db2.gz PRBXSZISUQBOIW-HNNXBMFYSA-N 1 0 313.486 2.491 10 0 DEAERO CNS(=O)(=O)CCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000076804911 355169005 /nfs/dbraw/zinc/16/90/05/355169005.db2.gz DLYBSDULKFKZMV-ZDUSSCGKSA-N 1 0 300.424 2.136 10 0 DEAERO C[C@H]1CN(C(=O)Oc2ccccc2)CC[C@@H]1[NH+]1CCOCC1 ZINC000073655134 191336385 /nfs/dbraw/zinc/33/63/85/191336385.db2.gz KEYRGLPXBXPXGJ-HOCLYGCPSA-N 1 0 304.390 2.228 10 0 DEAERO Cc1cc(C)n(-c2nc(C(C)C)cc(N3CCC[NH2+]CC3)n2)n1 ZINC000073663496 191339089 /nfs/dbraw/zinc/33/90/89/191339089.db2.gz XGEYUVPINSCHAM-UHFFFAOYSA-N 1 0 314.437 2.202 10 0 DEAERO CCc1c(C)nc(-n2nc(C)cc2C)nc1N[C@@H]1CCC[NH2+]C1 ZINC000073685349 191342004 /nfs/dbraw/zinc/34/20/04/191342004.db2.gz BMYTXFNJIXZJAY-CQSZACIVSA-N 1 0 314.437 2.314 10 0 DEAERO CCc1cnc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000073722688 191348109 /nfs/dbraw/zinc/34/81/09/191348109.db2.gz JXFYZEXONQJXFG-GFCCVEGCSA-N 1 0 312.483 2.481 10 0 DEAERO CC[N@H+](CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)C1CC1 ZINC000091761308 355608403 /nfs/dbraw/zinc/60/84/03/355608403.db2.gz ZARBIBRRZFVVPH-XJKSGUPXSA-N 1 0 324.371 2.083 10 0 DEAERO O[C@@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CCCOCC1 ZINC000443624029 540184655 /nfs/dbraw/zinc/18/46/55/540184655.db2.gz HUDMEDHNKRPFRH-ZDUSSCGKSA-N 1 0 303.324 2.331 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCN1c1nccs1 ZINC000110628058 295906572 /nfs/dbraw/zinc/90/65/72/295906572.db2.gz MNVCSJNRHRHMOA-UONOGXRCSA-N 1 0 322.478 2.103 10 0 DEAERO C[NH+](C)[C@@H]1CN(Cc2cccnc2)CC[C@]1(O)c1ccccc1 ZINC000097942725 355706839 /nfs/dbraw/zinc/70/68/39/355706839.db2.gz XITFNFPXXDDQCD-MOPGFXCFSA-N 1 0 311.429 2.105 10 0 DEAERO C[C@H](NC(=O)[C@H]1CCOC[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000194906785 299234726 /nfs/dbraw/zinc/23/47/26/299234726.db2.gz FNVPUIMISCJKLL-OHFALNGGSA-N 1 0 304.434 2.467 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CCOCC1 ZINC000179870591 356036098 /nfs/dbraw/zinc/03/60/98/356036098.db2.gz CODBXFPPQQPPOS-DGCLKSJQSA-N 1 0 322.371 2.192 10 0 DEAERO COc1cccc(F)c1[C@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000179926052 356037484 /nfs/dbraw/zinc/03/74/84/356037484.db2.gz HMAJKHWSILRHIX-MNOVXSKESA-N 1 0 303.399 2.166 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000180829455 356062284 /nfs/dbraw/zinc/06/22/84/356062284.db2.gz VHAHTPORRIUPMI-HZPDHXFCSA-N 1 0 323.387 2.462 10 0 DEAERO Cc1noc(CC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)n1 ZINC000180842060 356063123 /nfs/dbraw/zinc/06/31/23/356063123.db2.gz WUBFJGUIAMZVPP-INIZCTEOSA-N 1 0 315.352 2.172 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000179693791 356030391 /nfs/dbraw/zinc/03/03/91/356030391.db2.gz ASKRJWORDKNNQA-PBHICJAKSA-N 1 0 322.474 2.399 10 0 DEAERO CCC[NH2+][C@H](C)[C@@H]1CCCN(S(=O)(=O)CC(C)(C)C)C1 ZINC000080185112 192009795 /nfs/dbraw/zinc/00/97/95/192009795.db2.gz KLTRQPSIOAPXIY-ZIAGYGMSSA-N 1 0 304.500 2.462 10 0 DEAERO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccccc1-n1cccn1 ZINC000183137218 356161567 /nfs/dbraw/zinc/16/15/67/356161567.db2.gz XDBCMMQLLAZLEA-AWEZNQCLSA-N 1 0 312.417 2.391 10 0 DEAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000183212083 356163955 /nfs/dbraw/zinc/16/39/55/356163955.db2.gz DRASDFSYRLMVIF-INIZCTEOSA-N 1 0 315.417 2.278 10 0 DEAERO NC(=S)C[N@H+](CC(=O)Nc1ccc(F)cc1)C1CCCC1 ZINC000080222207 192013471 /nfs/dbraw/zinc/01/34/71/192013471.db2.gz KMQOJLUYLJHNKH-UHFFFAOYSA-N 1 0 309.410 2.295 10 0 DEAERO COc1cc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)ccc1F ZINC000183464292 356172714 /nfs/dbraw/zinc/17/27/14/356172714.db2.gz PINBEBPELUNHSZ-NJZAAPMLSA-N 1 0 324.396 2.121 10 0 DEAERO NC(=[NH2+])CN(C1CCCC1)S(=O)(=O)CC1CCCCC1 ZINC000080224219 192013725 /nfs/dbraw/zinc/01/37/25/192013725.db2.gz AKGWNQQGSLSJLB-UHFFFAOYSA-N 1 0 301.456 2.077 10 0 DEAERO Cc1csc([C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C2CC2)n1 ZINC000183511316 356175021 /nfs/dbraw/zinc/17/50/21/356175021.db2.gz VPHXFLADSVUHSP-SKDRFNHKSA-N 1 0 302.465 2.173 10 0 DEAERO CCc1nnc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1C ZINC000185709193 356210487 /nfs/dbraw/zinc/21/04/87/356210487.db2.gz HQILWGUZDBRMOB-ZIAGYGMSSA-N 1 0 305.470 2.120 10 0 DEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N[C@@H](C)c2nccs2)cc1 ZINC000080314422 192022867 /nfs/dbraw/zinc/02/28/67/192022867.db2.gz JNFRRLYWVHXVFD-ZJUUUORDSA-N 1 0 311.432 2.202 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)c1nc2cccnc2s1 ZINC000193959497 356232208 /nfs/dbraw/zinc/23/22/08/356232208.db2.gz QRYFWZAFAPXVLP-UHFFFAOYSA-N 1 0 315.402 2.474 10 0 DEAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000185590930 356208403 /nfs/dbraw/zinc/20/84/03/356208403.db2.gz RMISRKWBYKWHIX-IRXDYDNUSA-N 1 0 308.466 2.382 10 0 DEAERO NC(=S)[C@H](CN1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000080797182 192192249 /nfs/dbraw/zinc/19/22/49/192192249.db2.gz DCOQTMQAEJYGNB-MRXNPFEDSA-N 1 0 303.475 2.084 10 0 DEAERO CC[C@@](C)([NH3+])COc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000080843907 192194901 /nfs/dbraw/zinc/19/49/01/192194901.db2.gz LGIVYXVDCKRRPV-LLVKDONJSA-N 1 0 311.325 2.486 10 0 DEAERO COc1cccc2c1CCC[C@H]2[NH2+]C[C@]1(CCO)CCOC1 ZINC000194916442 356246580 /nfs/dbraw/zinc/24/65/80/356246580.db2.gz KWGFLHUQHOPQAN-AEFFLSMTSA-N 1 0 305.418 2.451 10 0 DEAERO [NH3+]Cc1snnc1-c1ccc(I)cc1 ZINC000236268732 356289485 /nfs/dbraw/zinc/28/94/85/356289485.db2.gz LANDXTOURXEJHR-UHFFFAOYSA-N 1 0 317.155 2.268 10 0 DEAERO CC[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400323176 283155603 /nfs/dbraw/zinc/15/56/03/283155603.db2.gz ANKWGAHOVAZYBG-BFHYXJOUSA-N 1 0 300.443 2.383 10 0 DEAERO Cn1cc([C@@H]2CCN(C(=O)CC3(C[NH3+])CCCCC3)C2)cn1 ZINC000184239760 199691980 /nfs/dbraw/zinc/69/19/80/199691980.db2.gz PSGFIFVPYTZJSD-CQSZACIVSA-N 1 0 304.438 2.035 10 0 DEAERO C[C@H]([NH2+]C[C@](C)(O)C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400751931 283158639 /nfs/dbraw/zinc/15/86/39/283158639.db2.gz VTSHWVLJVUSIFI-DCGLDWPTSA-N 1 0 312.454 2.383 10 0 DEAERO C[NH2+][C@@H](c1cnn(C)c1I)C1CCC1 ZINC000306604259 356404662 /nfs/dbraw/zinc/40/46/62/356404662.db2.gz YQFYDGMNSCUDRZ-SECBINFHSA-N 1 0 305.163 2.085 10 0 DEAERO Cn1ncc([C@@H]2CCCCC[NH2+]2)c1I ZINC000306795079 356405493 /nfs/dbraw/zinc/40/54/93/356405493.db2.gz GHAMAKFVYDKYPZ-VIFPVBQESA-N 1 0 305.163 2.229 10 0 DEAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)c2cccn2C2CC2)CCO1 ZINC000328647597 356466079 /nfs/dbraw/zinc/46/60/79/356466079.db2.gz UCHGFVSJPWGZQO-INIZCTEOSA-N 1 0 317.433 2.006 10 0 DEAERO [NH3+]C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCn2cnnc2C1 ZINC000081532998 192284750 /nfs/dbraw/zinc/28/47/50/192284750.db2.gz PJMBTTFSPBQACI-LBPRGKRZSA-N 1 0 312.204 2.101 10 0 DEAERO CC(C)C(=O)Nc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000236826013 202028738 /nfs/dbraw/zinc/02/87/38/202028738.db2.gz DKNNXIREGGDJQZ-AWEZNQCLSA-N 1 0 321.446 2.315 10 0 DEAERO CCC[NH2+]CCNC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000236862133 202041404 /nfs/dbraw/zinc/04/14/04/202041404.db2.gz PMWIZHXLPDFIGP-UHFFFAOYSA-N 1 0 314.389 2.343 10 0 DEAERO Cc1nc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)sc1C ZINC000081671940 192308796 /nfs/dbraw/zinc/30/87/96/192308796.db2.gz XLMXQGGFMSQOEX-HNNXBMFYSA-N 1 0 309.479 2.447 10 0 DEAERO CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H](C)O ZINC000386743942 356698476 /nfs/dbraw/zinc/69/84/76/356698476.db2.gz DZMVJUHMYYTVHF-MJBXVCDLSA-N 1 0 300.443 2.383 10 0 DEAERO CC(C)(C[NH2+]Cc1ccsc1Br)OCCO ZINC000388756959 356706092 /nfs/dbraw/zinc/70/60/92/356706092.db2.gz SDKPELWKSAUAAZ-UHFFFAOYSA-N 1 0 308.241 2.388 10 0 DEAERO OCC[NH+]1CCC(NCc2ccsc2Br)CC1 ZINC000399231407 356721715 /nfs/dbraw/zinc/72/17/15/356721715.db2.gz GPDQJOFSTZAAEI-UHFFFAOYSA-N 1 0 319.268 2.057 10 0 DEAERO Brc1cccc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404040300 356730945 /nfs/dbraw/zinc/73/09/45/356730945.db2.gz AUGHSUDASURWLE-UONOGXRCSA-N 1 0 311.223 2.012 10 0 DEAERO Brc1csc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404186540 356732797 /nfs/dbraw/zinc/73/27/97/356732797.db2.gz FAMIMYLZSCWIFY-NWDGAFQWSA-N 1 0 317.252 2.073 10 0 DEAERO CC(C)(C)OC(=O)N1CCN[C@H]2[C@@H]1CCC[C@@H]2[NH+]1CCCC1 ZINC000498035874 356740978 /nfs/dbraw/zinc/74/09/78/356740978.db2.gz QMXGOZSIEVKADG-SOUVJXGZSA-N 1 0 309.454 2.212 10 0 DEAERO CC[C@H]1CCC[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000086898305 192601910 /nfs/dbraw/zinc/60/19/10/192601910.db2.gz ODOIBQBPMBQIKL-KBPBESRZSA-N 1 0 302.484 2.359 10 0 DEAERO CCCCCN(C)S(=O)(=O)N1CCC(C[NH2+]C(C)C)CC1 ZINC000088951676 192666818 /nfs/dbraw/zinc/66/68/18/192666818.db2.gz MEXVPKHKQVWEJL-UHFFFAOYSA-N 1 0 319.515 2.063 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2cccc(C)n2)c1 ZINC000581602599 357214439 /nfs/dbraw/zinc/21/44/39/357214439.db2.gz HFFQQDPGSMJANK-QGZVFWFLSA-N 1 0 314.385 2.122 10 0 DEAERO CCCN(C)S(=O)(=O)c1ccc(Cl)c(C[NH3+])c1Cl ZINC000088947390 192665089 /nfs/dbraw/zinc/66/50/89/192665089.db2.gz XHOHOYSXQSJNGW-UHFFFAOYSA-N 1 0 311.234 2.483 10 0 DEAERO CC[C@H]1CCCN1S(=O)(=O)c1ccc(CC[NH2+]C)s1 ZINC000088973337 192675843 /nfs/dbraw/zinc/67/58/43/192675843.db2.gz LFKADHKOVCTVAT-NSHDSACASA-N 1 0 302.465 2.073 10 0 DEAERO CC(C)c1nc(NCc2ccc(CO)c(F)c2)nc(N(C)C)n1 ZINC000179278768 199008879 /nfs/dbraw/zinc/00/88/79/199008879.db2.gz BZDDXQGUAHWNMW-UHFFFAOYSA-N 1 0 319.384 2.305 10 0 DEAERO Cc1n[nH]c(C)c1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179454401 199038341 /nfs/dbraw/zinc/03/83/41/199038341.db2.gz REJHLSDBVVVYJV-FUHWJXTLSA-N 1 0 312.417 2.131 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000179494262 199045254 /nfs/dbraw/zinc/04/52/54/199045254.db2.gz NFDBOOAFALNWAX-OAHLLOKOSA-N 1 0 318.417 2.418 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2cn(C)nc2C(C)(C)C)CC[N@@H+]1C ZINC000092814748 291125220 /nfs/dbraw/zinc/12/52/20/291125220.db2.gz MEUGAMFJJKKYQF-QWHCGFSZSA-N 1 0 306.454 2.272 10 0 DEAERO C[C@H](C[NH2+][C@H](c1ccccc1)c1ccccn1)N1CCOCC1 ZINC000180042334 199111638 /nfs/dbraw/zinc/11/16/38/199111638.db2.gz QRKAQKZFVAKWFI-VQIMIIECSA-N 1 0 311.429 2.481 10 0 DEAERO Cc1ccc(C[C@H](C)C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000180519358 199170350 /nfs/dbraw/zinc/17/03/50/199170350.db2.gz GZSJWRMLQTYVDZ-KRWDZBQOSA-N 1 0 318.461 2.402 10 0 DEAERO CCOCCNC(=O)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000180732509 199202525 /nfs/dbraw/zinc/20/25/25/199202525.db2.gz AYUPDUZUOVBYKB-SNVBAGLBSA-N 1 0 302.777 2.282 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000180834028 199216296 /nfs/dbraw/zinc/21/62/96/199216296.db2.gz FUQHVEGVDMWXMM-AWEZNQCLSA-N 1 0 308.813 2.115 10 0 DEAERO CCSC1(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000595098575 358389284 /nfs/dbraw/zinc/38/92/84/358389284.db2.gz IUWHWMTZGNZVKB-NSHDSACASA-N 1 0 314.476 2.270 10 0 DEAERO CCCc1ccccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000181150123 199257905 /nfs/dbraw/zinc/25/79/05/199257905.db2.gz LJVWVWNQGIHUSS-HNNXBMFYSA-N 1 0 305.422 2.433 10 0 DEAERO C/C(=C/c1ccccc1)CN(C)C(=O)NCCOCCC[NH3+] ZINC000627217522 366482852 /nfs/dbraw/zinc/48/28/52/366482852.db2.gz OWZPTDYLLIHIRA-SQFISAMPSA-N 1 0 305.422 2.097 10 0 DEAERO CC(C)[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)CC(C)(C)C ZINC000089013437 192698402 /nfs/dbraw/zinc/69/84/02/192698402.db2.gz AWSOYWMVGJPNCB-CQSZACIVSA-N 1 0 319.515 2.062 10 0 DEAERO COC(=O)c1coc(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000186393644 199952417 /nfs/dbraw/zinc/95/24/17/199952417.db2.gz YFSXCMPCFLVPRD-UHFFFAOYSA-N 1 0 308.378 2.062 10 0 DEAERO CCn1nc(C)c(Br)c1CN(C)[C@H]1CCC[NH2+]C1 ZINC000089281981 192757458 /nfs/dbraw/zinc/75/74/58/192757458.db2.gz MFAYBXIGAONPBA-NSHDSACASA-N 1 0 315.259 2.158 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])c2cccnc2)c1Br ZINC000089326729 192768290 /nfs/dbraw/zinc/76/82/90/192768290.db2.gz MSOMGZNSAVRIEZ-JTQLQIEISA-N 1 0 309.211 2.383 10 0 DEAERO OCC1(C[NH+]2CCN(CC(F)(F)F)CC2)CCCCCC1 ZINC000089575172 192819953 /nfs/dbraw/zinc/81/99/53/192819953.db2.gz YRWFCFZQPBOKKL-UHFFFAOYSA-N 1 0 308.388 2.499 10 0 DEAERO CCOc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc(Cl)c1O ZINC000186777451 200008577 /nfs/dbraw/zinc/00/85/77/200008577.db2.gz REJFGZUXWBPPDW-NSHDSACASA-N 1 0 312.797 2.220 10 0 DEAERO C[C@@H](O)C1CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000186930517 200033580 /nfs/dbraw/zinc/03/35/80/200033580.db2.gz FXRMMDJRNABDDE-CYBMUJFWSA-N 1 0 302.418 2.188 10 0 DEAERO CC[C@]1(CO)CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000187059135 200054351 /nfs/dbraw/zinc/05/43/51/200054351.db2.gz IGAOVQVJSJPISC-HKUYNNGSSA-N 1 0 318.461 2.170 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)c2coc(C[NH3+])c2)no1 ZINC000187625153 200136410 /nfs/dbraw/zinc/13/64/10/200136410.db2.gz PXNZGGODAKPAFK-LBPRGKRZSA-N 1 0 304.350 2.222 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CCC(=O)N2CCc3ccccc32)C1 ZINC000187939591 200179617 /nfs/dbraw/zinc/17/96/17/200179617.db2.gz XKEYKCKUWDTWFB-HNAYVOBHSA-N 1 0 316.445 2.449 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000187908574 200174757 /nfs/dbraw/zinc/17/47/57/200174757.db2.gz VYJNQDJMOQTMQB-OAHLLOKOSA-N 1 0 321.396 2.214 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000237545823 202277572 /nfs/dbraw/zinc/27/75/72/202277572.db2.gz HTYLQGMNEYDGNA-LRDDRELGSA-N 1 0 315.417 2.092 10 0 DEAERO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1cc2ccccc2o1 ZINC000188263726 200218839 /nfs/dbraw/zinc/21/88/39/200218839.db2.gz NUHVMHIIHHPVHL-SNVBAGLBSA-N 1 0 310.357 2.293 10 0 DEAERO C[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc(F)cc1Cl ZINC000188597742 200272851 /nfs/dbraw/zinc/27/28/51/200272851.db2.gz ZETZYOBXYOZEJS-QMMMGPOBSA-N 1 0 322.771 2.339 10 0 DEAERO O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1CC[NH2+]CC1 ZINC000237919279 202391129 /nfs/dbraw/zinc/39/11/29/202391129.db2.gz ZUCQTWUSABIQBC-UHFFFAOYSA-N 1 0 319.386 2.006 10 0 DEAERO Fc1ccccc1-n1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000188971277 200330098 /nfs/dbraw/zinc/33/00/98/200330098.db2.gz BPGCGQKCJDSODM-OAHLLOKOSA-N 1 0 300.381 2.291 10 0 DEAERO COc1ccsc1S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000189132864 200354088 /nfs/dbraw/zinc/35/40/88/200354088.db2.gz DNNUGQPLRGJGCH-LLVKDONJSA-N 1 0 320.480 2.011 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)cc1NC(C)=O ZINC000189275478 200373838 /nfs/dbraw/zinc/37/38/38/200373838.db2.gz CVTIDEPENAQLKA-LNSITVRQSA-N 1 0 306.406 2.465 10 0 DEAERO O[C@@H](C[N@@H+]1CC[C@H](CNc2ccccn2)C1)CC(F)(F)F ZINC000189366894 200388474 /nfs/dbraw/zinc/38/84/74/200388474.db2.gz ATRQTRLDHZSMAM-VXGBXAGGSA-N 1 0 303.328 2.129 10 0 DEAERO c1c(C[C@@H]2CC[NH2+]C2)nnn1CCSCc1ccccc1 ZINC000603228395 360755679 /nfs/dbraw/zinc/75/56/79/360755679.db2.gz HTDBXAQAIXRSLJ-HNNXBMFYSA-N 1 0 302.447 2.364 10 0 DEAERO COC(=O)c1ccc2c(c1)CC[C@H]([NH3+])N2C(=O)OC(C)(C)C ZINC000669381607 540823435 /nfs/dbraw/zinc/82/34/35/540823435.db2.gz PFDBUTPLRAFCIC-CYBMUJFWSA-N 1 0 306.362 2.446 10 0 DEAERO O=S1(=O)CCCN1CCCNc1cc[nH+]c2cc(F)ccc12 ZINC000603493839 360838775 /nfs/dbraw/zinc/83/87/75/360838775.db2.gz ARMDPLGLVZBXON-UHFFFAOYSA-N 1 0 323.393 2.211 10 0 DEAERO O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261931207 296023613 /nfs/dbraw/zinc/02/36/13/296023613.db2.gz SUZWMKULUHYGIP-ZIFCJYIRSA-N 1 0 314.429 2.366 10 0 DEAERO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCC23CCC3)cc1 ZINC000444779718 238319790 /nfs/dbraw/zinc/31/97/90/238319790.db2.gz LEWJXBKJWCKGRM-UHFFFAOYSA-N 1 0 308.447 2.455 10 0 DEAERO Cc1cc(CN(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)no1 ZINC000671563862 540988445 /nfs/dbraw/zinc/98/84/45/540988445.db2.gz KXCTVAUDACQCCG-WMLDXEAASA-N 1 0 317.437 2.231 10 0 DEAERO C[C@@H](NC(=O)CC[C@H](C)[NH3+])c1ccc(NC(=O)C2CC2)cc1 ZINC000193197032 201005438 /nfs/dbraw/zinc/00/54/38/201005438.db2.gz CLMZJHJPFJIUER-NWDGAFQWSA-N 1 0 303.406 2.340 10 0 DEAERO C[C@H]([NH3+])CCC(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000193222325 201008472 /nfs/dbraw/zinc/00/84/72/201008472.db2.gz BLVRCNVNBMRZJN-STQMWFEESA-N 1 0 303.406 2.118 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CCC(=O)OCC)C1 ZINC000611043611 361518316 /nfs/dbraw/zinc/51/83/16/361518316.db2.gz RMAWHQZMZGPDFI-JKSUJKDBSA-N 1 0 324.465 2.443 10 0 DEAERO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccsc1C(F)(F)F ZINC000527660658 283686021 /nfs/dbraw/zinc/68/60/21/283686021.db2.gz MKAOJTCHNGPVTL-SSDOTTSWSA-N 1 0 301.355 2.290 10 0 DEAERO CCC(CC)[NH2+]CCn1cnc(C)c(Br)c1=O ZINC000090767452 192931311 /nfs/dbraw/zinc/93/13/11/192931311.db2.gz POAHSCIQHQTTAK-UHFFFAOYSA-N 1 0 302.216 2.092 10 0 DEAERO c1nc(C2OCCO2)sc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527809838 283716014 /nfs/dbraw/zinc/71/60/14/283716014.db2.gz NXKZPEFKCLCCMT-ZDUSSCGKSA-N 1 0 323.462 2.295 10 0 DEAERO CC(=O)c1ccccc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620970375 364216479 /nfs/dbraw/zinc/21/64/79/364216479.db2.gz PGVJVJAEYMYRRQ-OAHLLOKOSA-N 1 0 318.417 2.072 10 0 DEAERO CC(=O)c1cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cs1 ZINC000620978520 364218914 /nfs/dbraw/zinc/21/89/14/364218914.db2.gz KEQBMIUOBXDJGN-CQSZACIVSA-N 1 0 324.446 2.134 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]CC[C@@H]2CC2(F)F)cc1 ZINC000622016582 364636461 /nfs/dbraw/zinc/63/64/61/364636461.db2.gz KXGMBOUNJLCJEB-ZIAGYGMSSA-N 1 0 313.344 2.264 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](C[C@H](C)c2ccccc2)CC12COC2 ZINC000449358042 240391649 /nfs/dbraw/zinc/39/16/49/240391649.db2.gz FHSGIFNOXZJRLH-HOCLYGCPSA-N 1 0 303.402 2.302 10 0 DEAERO CN(Cc1ccccc1Cl)[C@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323354 193040245 /nfs/dbraw/zinc/04/02/45/193040245.db2.gz ICHGAAPTXRLJDV-AWEZNQCLSA-N 1 0 309.841 2.112 10 0 DEAERO C[C@@H](CN1CCOCC1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000091511777 193067244 /nfs/dbraw/zinc/06/72/44/193067244.db2.gz JMURDQWOHGQZAJ-HNNXBMFYSA-N 1 0 322.424 2.390 10 0 DEAERO Cc1cc(F)cc(NS(=O)(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000091516515 193067758 /nfs/dbraw/zinc/06/77/58/193067758.db2.gz FMCPWQAMIDTATF-CYBMUJFWSA-N 1 0 300.399 2.408 10 0 DEAERO COCC[NH2+]CC[C@](C)(O)Cc1cc(Cl)ccc1OC ZINC000091521071 193068743 /nfs/dbraw/zinc/06/87/43/193068743.db2.gz JZSDUPWCDXCYHP-HNNXBMFYSA-N 1 0 301.814 2.268 10 0 DEAERO CC[C@@](C)([C@@H](Cc1ccncc1Cl)[NH2+]C)N1CCOCC1 ZINC000091612345 193079939 /nfs/dbraw/zinc/07/99/39/193079939.db2.gz DVQIQSGVOIWSFB-CVEARBPZSA-N 1 0 311.857 2.366 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)C(C)(C)N1CCCCCC1 ZINC000091568119 193074869 /nfs/dbraw/zinc/07/48/69/193074869.db2.gz SXRGLKOFLXAGDZ-HNNXBMFYSA-N 1 0 318.527 2.444 10 0 DEAERO CC[C@@](C)([C@H](CCCS(=O)(=O)CC)[NH2+]C)N1CCCC1 ZINC000091605980 193078805 /nfs/dbraw/zinc/07/88/05/193078805.db2.gz SAAJYVTZKNLEKW-GJZGRUSLSA-N 1 0 304.500 2.054 10 0 DEAERO C[NH2+]CC[C@](C)(O)Cc1cc(OC)ccc1Br ZINC000091467090 193060753 /nfs/dbraw/zinc/06/07/53/193060753.db2.gz HNUFQEOXDVNLLH-ZDUSSCGKSA-N 1 0 302.212 2.361 10 0 DEAERO CN(CC1CC([NH3+])C1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000091472685 193061287 /nfs/dbraw/zinc/06/12/87/193061287.db2.gz IYTGJKPFDXCBTN-UHFFFAOYSA-N 1 0 300.324 2.444 10 0 DEAERO C[C@H](NC(=O)C[N@H+](C)CC1CC(O)C1)c1ccccc1Cl ZINC000091499550 193065160 /nfs/dbraw/zinc/06/51/60/193065160.db2.gz QWZGACLBLSIFNW-HIFPTAJRSA-N 1 0 310.825 2.220 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cc(Br)cs1 ZINC000624238179 365346437 /nfs/dbraw/zinc/34/64/37/365346437.db2.gz LWEYOMCZQINJLP-SFGNSQDASA-N 1 0 306.225 2.311 10 0 DEAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@H]1CN(C)CCO1 ZINC000091718516 193096711 /nfs/dbraw/zinc/09/67/11/193096711.db2.gz RYCHVFVEAXFGSS-LSDHHAIUSA-N 1 0 300.805 2.330 10 0 DEAERO CC[NH2+][C@H](Cc1c(Br)c(C)nn1CC)CN(C)C ZINC000091719765 193097019 /nfs/dbraw/zinc/09/70/19/193097019.db2.gz XKAOBHYZJANUBL-LLVKDONJSA-N 1 0 317.275 2.056 10 0 DEAERO C[NH2+][C@H](Cc1cccc(C(F)(F)F)c1)[C@H]1CN(C)CCO1 ZINC000091717717 193097097 /nfs/dbraw/zinc/09/70/97/193097097.db2.gz QWSPGSWTADQVQV-ZIAGYGMSSA-N 1 0 302.340 2.167 10 0 DEAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1F)[C@H]1CN(C)CCO1 ZINC000091719381 193097475 /nfs/dbraw/zinc/09/74/75/193097475.db2.gz PXIQDLOKVMJUOR-IUODEOHRSA-N 1 0 302.340 2.475 10 0 DEAERO O=C1[C@H]([NH2+]C2CC(OCc3ccccc3)C2)CCN1C1CCC1 ZINC000624344335 365388337 /nfs/dbraw/zinc/38/83/37/365388337.db2.gz IZOAMYRRMMRIQR-VMWRSERWSA-N 1 0 314.429 2.477 10 0 DEAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)N1CCCC[C@@H]1C ZINC000091852225 193117974 /nfs/dbraw/zinc/11/79/74/193117974.db2.gz MSJRPOIKBHZVRZ-NFOMZHRRSA-N 1 0 317.499 2.088 10 0 DEAERO CC[NH2+]C1CCC(N(C)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000091869916 193121273 /nfs/dbraw/zinc/12/12/73/193121273.db2.gz LBPRZCZGZLRUCG-UHFFFAOYSA-N 1 0 314.426 2.367 10 0 DEAERO Nc1ccc(SC[C@H](O)[C@H]([NH3+])Cc2ccccc2)cc1F ZINC000091944441 193130014 /nfs/dbraw/zinc/13/00/14/193130014.db2.gz ITGUSEFWACEHPX-CVEARBPZSA-N 1 0 306.406 2.431 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CSc3ccccc3O2)C1 ZINC000449790335 241091335 /nfs/dbraw/zinc/09/13/35/241091335.db2.gz LEXRHYVFHBNXKC-KGLIPLIRSA-N 1 0 320.458 2.388 10 0 DEAERO Cc1nn(C)cc1CC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000449860830 241177320 /nfs/dbraw/zinc/17/73/20/241177320.db2.gz LEOLBKOPANERJJ-UHFFFAOYSA-N 1 0 300.406 2.280 10 0 DEAERO CN(Cc1cccnc1C(F)(F)F)[C@H](C[NH3+])C(F)(F)F ZINC000629548763 367244814 /nfs/dbraw/zinc/24/48/14/367244814.db2.gz SJXGFTBLTMZXGQ-MRVPVSSYSA-N 1 0 301.234 2.422 10 0 DEAERO C[C@H]1C[NH+](CC(=O)Nc2nc3ccc(N)cc3s2)C[C@@H]1C ZINC000092080682 193154498 /nfs/dbraw/zinc/15/44/98/193154498.db2.gz DFDPWYHWLSEXQN-UWVGGRQHSA-N 1 0 304.419 2.405 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000450677481 242091695 /nfs/dbraw/zinc/09/16/95/242091695.db2.gz GNXKDXNTANDOHB-SJKOYZFVSA-N 1 0 301.390 2.171 10 0 DEAERO CO[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)[C@](C)(C[NH3+])C1 ZINC000630376939 367619078 /nfs/dbraw/zinc/61/90/78/367619078.db2.gz YURDHHJGAPWPMH-HZMBPMFUSA-N 1 0 300.761 2.057 10 0 DEAERO c1nc2nc(-c3ccccc3)cc(N[C@@H]3CC[NH2+]C34CCC4)n2n1 ZINC000630524969 367705417 /nfs/dbraw/zinc/70/54/17/367705417.db2.gz XJTJENOQEYCEAF-OAHLLOKOSA-N 1 0 320.400 2.488 10 0 DEAERO CC[NH2+]Cc1sccc1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092113804 193161211 /nfs/dbraw/zinc/16/12/11/193161211.db2.gz IKQHRAUSIIHKPF-QWRGUYRKSA-N 1 0 302.465 2.134 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)s1 ZINC000092113934 193161394 /nfs/dbraw/zinc/16/13/94/193161394.db2.gz GRIOHAXXWLTMNR-PHIMTYICSA-N 1 0 302.465 2.134 10 0 DEAERO CC[NH2+]Cc1sc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc1C ZINC000092113399 193161605 /nfs/dbraw/zinc/16/16/05/193161605.db2.gz HKTMERJABUGVOL-RYUDHWBXSA-N 1 0 316.492 2.443 10 0 DEAERO CC[NH2+]Cc1ccc(CS(=O)(=O)N2C[C@H](C)[C@H](C)C2)cc1 ZINC000092113492 193161788 /nfs/dbraw/zinc/16/17/88/193161788.db2.gz NCELORPELSRBLJ-OKILXGFUSA-N 1 0 310.463 2.214 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)c(F)c1 ZINC000092115474 193163683 /nfs/dbraw/zinc/16/36/83/193163683.db2.gz QVRMKHHPLHSTGU-LBPRGKRZSA-N 1 0 314.426 2.498 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H]2CC)c(F)c1 ZINC000092115744 193163703 /nfs/dbraw/zinc/16/37/03/193163703.db2.gz TYKMQVXOBNJYKF-CYBMUJFWSA-N 1 0 314.426 2.498 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2C)c(F)c1 ZINC000092116072 193164327 /nfs/dbraw/zinc/16/43/27/193164327.db2.gz LHDXKYQOLRIVLY-GWCFXTLKSA-N 1 0 300.399 2.010 10 0 DEAERO Cc1cc(C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)no1 ZINC000275220231 212204385 /nfs/dbraw/zinc/20/43/85/212204385.db2.gz CWIGCBQWRMXBJG-CYBMUJFWSA-N 1 0 314.389 2.454 10 0 DEAERO c1ccc(-c2nc3c(c(N4CC([NH+]5CCCC5)C4)n2)CCC3)nc1 ZINC000631353611 368171074 /nfs/dbraw/zinc/17/10/74/368171074.db2.gz PHTARANWHHOJRX-UHFFFAOYSA-N 1 0 321.428 2.312 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000092205523 193172910 /nfs/dbraw/zinc/17/29/10/193172910.db2.gz QJXADWXGHGGJJX-NWANDNLSSA-N 1 0 306.793 2.143 10 0 DEAERO c1ccc(Cc2nc(CN3CCC[C@H]4C[NH2+]CC[C@@H]43)no2)cc1 ZINC000631886481 368442075 /nfs/dbraw/zinc/44/20/75/368442075.db2.gz IDWOJKGVNCCZCJ-HOTGVXAUSA-N 1 0 312.417 2.234 10 0 DEAERO Brc1ccc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)nc1 ZINC000631890630 368445883 /nfs/dbraw/zinc/44/58/83/368445883.db2.gz UGKSLCYPQUHOHI-BXUZGUMPSA-N 1 0 310.239 2.418 10 0 DEAERO COCC1(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2C)CC[NH2+]CC1 ZINC000261838587 203129736 /nfs/dbraw/zinc/12/97/36/203129736.db2.gz ZVBJVHZCDJCXJH-IAGOWNOFSA-N 1 0 316.445 2.231 10 0 DEAERO CC[NH2+]C[C@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000093165536 193209739 /nfs/dbraw/zinc/20/97/39/193209739.db2.gz VAHKYPNFAUFOEJ-TZMCWYRMSA-N 1 0 301.839 2.468 10 0 DEAERO COc1cc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c2ccccc2n1 ZINC000262376188 203276716 /nfs/dbraw/zinc/27/67/16/203276716.db2.gz KSVMAOZRVBFSLC-STQMWFEESA-N 1 0 313.401 2.248 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000093211722 193217619 /nfs/dbraw/zinc/21/76/19/193217619.db2.gz IUJCEMNELXCKPX-KOLCDFICSA-N 1 0 304.362 2.365 10 0 DEAERO C[NH2+][C@@H](Cc1cc(F)ccc1Br)C(OC)OC ZINC000093304833 193228189 /nfs/dbraw/zinc/22/81/89/193228189.db2.gz JJWLVFLLCQETON-NSHDSACASA-N 1 0 306.175 2.338 10 0 DEAERO CC(C)[NH2+]C[C@@H](C)S(=O)(=O)N(C)[C@@H](C)Cc1cccs1 ZINC000093294638 193226222 /nfs/dbraw/zinc/22/62/22/193226222.db2.gz VRPUNTSDPLTASM-QWHCGFSZSA-N 1 0 318.508 2.327 10 0 DEAERO NC(=O)c1cc(NC(=O)C2CCC(C[NH3+])CC2)ccc1Cl ZINC000093425032 193250063 /nfs/dbraw/zinc/25/00/63/193250063.db2.gz SYXVUSQBMFLETA-UHFFFAOYSA-N 1 0 309.797 2.143 10 0 DEAERO C[N@@H+]1CCC[C@H]1CCOc1ncc(N)cc1Br ZINC000093433459 193250790 /nfs/dbraw/zinc/25/07/90/193250790.db2.gz ATTWXMHAPCJBHQ-JTQLQIEISA-N 1 0 300.200 2.289 10 0 DEAERO C[C@@H](C[C@H]1CCC[NH2+]1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000093463793 193256099 /nfs/dbraw/zinc/25/60/99/193256099.db2.gz PMCLXNSCLREHEJ-WDEREUQCSA-N 1 0 306.801 2.258 10 0 DEAERO COc1cc(OC)c(OC)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000093479791 193257601 /nfs/dbraw/zinc/25/76/01/193257601.db2.gz HNAIEGFFALOFDW-NCNPBXTDSA-N 1 0 321.417 2.305 10 0 DEAERO NC1=[NH+]C[C@]2(CCCOC2)N1c1ccccc1Br ZINC000093386409 193241649 /nfs/dbraw/zinc/24/16/49/193241649.db2.gz GTYKQKBRURXJBR-ZDUSSCGKSA-N 1 0 310.195 2.343 10 0 DEAERO COCC[C@@]1(C)C[NH+]=C(N)N1c1cccc(Br)c1 ZINC000093387257 193242265 /nfs/dbraw/zinc/24/22/65/193242265.db2.gz FSSCUGYPXYAOMQ-ZDUSSCGKSA-N 1 0 312.211 2.379 10 0 DEAERO NC1=[NH+]C[C@@H]([C@H]2CCCOC2)N1c1ccc(Br)cc1 ZINC000093386527 193242483 /nfs/dbraw/zinc/24/24/83/193242483.db2.gz YXCBQNYAODDTNE-GWCFXTLKSA-N 1 0 324.222 2.379 10 0 DEAERO Cc1cc(C[NH2+]CC(C)(C)S(C)(=O)=O)c2ccccc2n1 ZINC000093519850 193263012 /nfs/dbraw/zinc/26/30/12/193263012.db2.gz AWZCTDNFHISICP-UHFFFAOYSA-N 1 0 306.431 2.456 10 0 DEAERO CCC[NH2+][C@]1(CO)CCC[C@H]1CCSc1nnc(C)n1C ZINC000093622281 193275119 /nfs/dbraw/zinc/27/51/19/193275119.db2.gz GPSGUNOBWOXANS-ZFWWWQNUSA-N 1 0 312.483 2.137 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@H]1CCn1cc(C(F)(F)F)cn1 ZINC000093618556 193275465 /nfs/dbraw/zinc/27/54/65/193275465.db2.gz SVJCPJOCFRRDSA-WCQYABFASA-N 1 0 305.344 2.433 10 0 DEAERO CCC[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)C1CCOCC1 ZINC000093624059 193275734 /nfs/dbraw/zinc/27/57/34/193275734.db2.gz BYUPEMPLOWDDTK-UKRRQHHQSA-N 1 0 303.468 2.139 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1nncs1 ZINC000093629401 193275963 /nfs/dbraw/zinc/27/59/63/193275963.db2.gz CXYDGUDXVJORJV-MFKMUULPSA-N 1 0 314.480 2.044 10 0 DEAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC000093697045 193292182 /nfs/dbraw/zinc/29/21/82/193292182.db2.gz QAMYCOYARGAOGH-QPSCCSFWSA-N 1 0 302.484 2.072 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000093696552 193292192 /nfs/dbraw/zinc/29/21/92/193292192.db2.gz SCAIFQYVPIBFJR-STQMWFEESA-N 1 0 316.492 2.379 10 0 DEAERO C[C@]([NH3+])(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000093699163 193293194 /nfs/dbraw/zinc/29/31/94/193293194.db2.gz NNMUUDOOAFFYJH-WFASDCNBSA-N 1 0 314.426 2.061 10 0 DEAERO Cc1ccccc1[C@](C)([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699150 193293580 /nfs/dbraw/zinc/29/35/80/193293580.db2.gz GRPPQYWYZCTYAP-GOEBONIOSA-N 1 0 310.463 2.231 10 0 DEAERO CCC1CCC([NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093699132 193293592 /nfs/dbraw/zinc/29/35/92/193293592.db2.gz YRIGVFZODMAJEZ-SLTAFYQDSA-N 1 0 302.484 2.346 10 0 DEAERO CC(C)[C@@H](C[NH2+]C1CC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701410 193294669 /nfs/dbraw/zinc/29/46/69/193294669.db2.gz ZZXSSEGPOGIDBR-ZIAGYGMSSA-N 1 0 302.484 2.072 10 0 DEAERO CCC[C@@H](C[NH2+]C(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701376 193295007 /nfs/dbraw/zinc/29/50/07/193295007.db2.gz ITYACBLTEJABRQ-CABCVRRESA-N 1 0 304.500 2.462 10 0 DEAERO CC1(C)CC(C[C@H]2CCCN(S(C)(=O)=O)C2)=C[C@@H]([NH3+])C1 ZINC000093702383 193295429 /nfs/dbraw/zinc/29/54/29/193295429.db2.gz SWEBMDKHVWPKNS-TZMCWYRMSA-N 1 0 300.468 2.122 10 0 DEAERO COCC[NH2+]Cc1nc2cc(F)c(Br)cc2[nH]1 ZINC000093728746 193298055 /nfs/dbraw/zinc/29/80/55/193298055.db2.gz PCVJTLLNLWDZAA-UHFFFAOYSA-N 1 0 302.147 2.201 10 0 DEAERO CC[NH2+][C@]1(C(N)=O)CCC[C@H](N(CC(F)(F)F)C(C)C)C1 ZINC000093751257 193299904 /nfs/dbraw/zinc/29/99/04/193299904.db2.gz RZWJRVIPBHTFBH-WCQYABFASA-N 1 0 309.376 2.035 10 0 DEAERO Cc1csc(S[C@H]2CCC[C@@]([NH2+]C3CC3)(C(N)=O)C2)n1 ZINC000093778067 193304790 /nfs/dbraw/zinc/30/47/90/193304790.db2.gz ZMGDBJDEGUPTAV-FZMZJTMJSA-N 1 0 311.476 2.462 10 0 DEAERO Cc1csc(S[C@H]2CCC[C@]([NH2+]C3CC3)(C(N)=O)C2)n1 ZINC000093778065 193305355 /nfs/dbraw/zinc/30/53/55/193305355.db2.gz ZMGDBJDEGUPTAV-SMDDNHRTSA-N 1 0 311.476 2.462 10 0 DEAERO Cc1ccc(S(=O)(=O)NC2C(C)(C)C([NH3+])C2(C)C)cc1F ZINC000094006539 193338351 /nfs/dbraw/zinc/33/83/51/193338351.db2.gz FDLQRGMNVUJVRO-UHFFFAOYSA-N 1 0 314.426 2.174 10 0 DEAERO COC(=O)[C@]1(NC(C)C)CC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093831811 193314268 /nfs/dbraw/zinc/31/42/68/193314268.db2.gz JVGFNFGBFGPPJK-YPMHNXCESA-N 1 0 310.360 2.333 10 0 DEAERO CC[NH2+][C@]1(C(N)=O)CC[C@H](Sc2cc(F)ccc2F)C1 ZINC000093851293 193318288 /nfs/dbraw/zinc/31/82/88/193318288.db2.gz SDTMABATPDVCQK-IINYFYTJSA-N 1 0 300.374 2.443 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(C)c(F)c1 ZINC000093878138 193322447 /nfs/dbraw/zinc/32/24/47/193322447.db2.gz OPHDQRMULCGMQS-UHFFFAOYSA-N 1 0 302.415 2.130 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])c1ncc(Br)cn1 ZINC000093892528 193323615 /nfs/dbraw/zinc/32/36/15/193323615.db2.gz GIFDPPHSVYGMLE-UHFFFAOYSA-N 1 0 301.232 2.440 10 0 DEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1cccc(Cl)c1 ZINC000094023967 193339091 /nfs/dbraw/zinc/33/90/91/193339091.db2.gz IVQFGRXESSJDQH-UHFFFAOYSA-N 1 0 316.854 2.350 10 0 DEAERO CC(C)C[NH2+]Cc1cc(F)c(SC[C@@H](O)CO)c(F)c1 ZINC000093960677 193331790 /nfs/dbraw/zinc/33/17/90/193331790.db2.gz GGYJSBRMWRRGKJ-NSHDSACASA-N 1 0 305.390 2.156 10 0 DEAERO CC(C)(C)c1csc(C[C@H]([NH3+])[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000094256926 193355679 /nfs/dbraw/zinc/35/56/79/193355679.db2.gz SFEZDEXUHQRZQA-AGIUHOORSA-N 1 0 309.479 2.174 10 0 DEAERO [NH3+]C1(CC(=O)N[C@@H]2CCC[C@@H](OCC(F)(F)F)C2)CCC1 ZINC000094293709 193357271 /nfs/dbraw/zinc/35/72/71/193357271.db2.gz PUFIHBGJLUAOLP-GHMZBOCLSA-N 1 0 308.344 2.264 10 0 DEAERO CC[NH2+][C@H](CCN(C)CCS(C)(=O)=O)c1ccccc1C ZINC000094300393 193357867 /nfs/dbraw/zinc/35/78/67/193357867.db2.gz HOIKHRREAVEYAW-MRXNPFEDSA-N 1 0 312.479 2.012 10 0 DEAERO CC1(C)CCC[C@@H]1NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000094330481 193359585 /nfs/dbraw/zinc/35/95/85/193359585.db2.gz BXNSUEXVJQXMKG-NSHDSACASA-N 1 0 302.465 2.106 10 0 DEAERO CN(CC1CCOCC1)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334312 193360118 /nfs/dbraw/zinc/36/01/18/193360118.db2.gz CYMBCZRFODRJLB-UHFFFAOYSA-N 1 0 303.328 2.422 10 0 DEAERO CC(C)[NH2+]Cc1cc(F)c(OCCCS(C)(=O)=O)c(F)c1 ZINC000094347458 193363746 /nfs/dbraw/zinc/36/37/46/193363746.db2.gz BCEDAVLREYCFSB-UHFFFAOYSA-N 1 0 321.389 2.276 10 0 DEAERO CCN(CC)C(=O)[C@H](C)Oc1c(F)cc(CC[NH3+])cc1F ZINC000094349888 193363828 /nfs/dbraw/zinc/36/38/28/193363828.db2.gz DSXJBMIPZMTVBV-JTQLQIEISA-N 1 0 300.349 2.102 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(F)c(OCCC(=O)N(C)C)c(F)c1 ZINC000094350606 193364119 /nfs/dbraw/zinc/36/41/19/193364119.db2.gz MWPATZHMPUUFDJ-NSHDSACASA-N 1 0 300.349 2.102 10 0 DEAERO COCC[NH2+]C[C@](C)(O)c1cc(Br)ccc1F ZINC000094109316 193345539 /nfs/dbraw/zinc/34/55/39/193345539.db2.gz QQVSCTYWVCCLLW-LBPRGKRZSA-N 1 0 306.175 2.032 10 0 DEAERO COCC[NH2+][C@H](C)[C@H](C)Cc1c(Br)c(C)nn1C ZINC000094656431 193390707 /nfs/dbraw/zinc/39/07/07/193390707.db2.gz XRDCSCLNRDLRJN-NXEZZACHSA-N 1 0 318.259 2.294 10 0 DEAERO CC(C)C[C@H](C[NH3+])C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000094698610 193391701 /nfs/dbraw/zinc/39/17/01/193391701.db2.gz DNPHSLUZRPCAPU-KFWWJZLASA-N 1 0 314.495 2.121 10 0 DEAERO C[C@@H](CC(N)=S)[N@H+](C)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094376016 193367295 /nfs/dbraw/zinc/36/72/95/193367295.db2.gz DMBTXDRITOBVSW-NWDGAFQWSA-N 1 0 302.509 2.428 10 0 DEAERO CC(C)[NH2+]Cc1cn([C@@H]2CCOC3(CCSCC3)C2)nn1 ZINC000094419084 193368678 /nfs/dbraw/zinc/36/86/78/193368678.db2.gz QSLVCCFMIRUGDV-CQSZACIVSA-N 1 0 310.467 2.393 10 0 DEAERO C[C@H]1C[C@@](C[NH3+])(N2CCN(c3ccc(F)cc3)CC2)CS1 ZINC000094473241 193372627 /nfs/dbraw/zinc/37/26/27/193372627.db2.gz VOKHDUYUMXWYJM-BBRMVZONSA-N 1 0 309.454 2.171 10 0 DEAERO CCc1nn(CC)c(C[C@H]([NH2+]C)[C@H]2CSCCO2)c1Cl ZINC000094503375 193374300 /nfs/dbraw/zinc/37/43/00/193374300.db2.gz JTZLOCKVTYYKIR-WCQYABFASA-N 1 0 317.886 2.381 10 0 DEAERO CC[NH2+][C@@H](Cc1ncnn1CC(C)C)[C@@H]1CSCCS1 ZINC000094497543 193374446 /nfs/dbraw/zinc/37/44/46/193374446.db2.gz FVQYKLRCXZVLMA-STQMWFEESA-N 1 0 314.524 2.303 10 0 DEAERO C[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094509177 193375328 /nfs/dbraw/zinc/37/53/28/193375328.db2.gz CQXMTVLGRBLTPW-GJZGRUSLSA-N 1 0 314.260 2.124 10 0 DEAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@H]3CN4CCN3CC4)sc21 ZINC000094511057 193375797 /nfs/dbraw/zinc/37/57/97/193375797.db2.gz SLWNXGZVUQCWJA-DGCLKSJQSA-N 1 0 306.479 2.048 10 0 DEAERO COc1ccc(Br)c(Cn2cnc(CC[NH3+])c2)c1 ZINC000094529552 193376982 /nfs/dbraw/zinc/37/69/82/193376982.db2.gz PPCJQJQTPKIGKY-UHFFFAOYSA-N 1 0 310.195 2.204 10 0 DEAERO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)sc1Br ZINC000094537346 193378415 /nfs/dbraw/zinc/37/84/15/193378415.db2.gz OMDPJXUQPMDPHX-DTORHVGOSA-N 1 0 315.236 2.110 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)cc3cccnc32)O1 ZINC000094565805 193380705 /nfs/dbraw/zinc/38/07/05/193380705.db2.gz PVXJZHDCRJXBMW-WCQYABFASA-N 1 0 305.765 2.333 10 0 DEAERO Cc1ccc(Br)cc1NC(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094567035 193381012 /nfs/dbraw/zinc/38/10/12/193381012.db2.gz YDMKPBBHKGDCPY-ZYHUDNBSSA-N 1 0 313.195 2.202 10 0 DEAERO C[N@@H+]1CCC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000094595767 193382237 /nfs/dbraw/zinc/38/22/37/193382237.db2.gz CFYWKCNXAGPUOY-JTQLQIEISA-N 1 0 301.312 2.112 10 0 DEAERO CC(C)[N@H+](C)CCNc1nc2c(Br)cccn2n1 ZINC000094605525 193383922 /nfs/dbraw/zinc/38/39/22/193383922.db2.gz RXEQKURJIPQACI-UHFFFAOYSA-N 1 0 312.215 2.244 10 0 DEAERO Brc1ccc2nc(NCCC[NH2+]C3CC3)nn2c1 ZINC000094607428 193384770 /nfs/dbraw/zinc/38/47/70/193384770.db2.gz IOXADRSLTDPGEV-UHFFFAOYSA-N 1 0 310.199 2.046 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])Cc2ccc(OC)nc2)c1Cl ZINC000094632292 193385263 /nfs/dbraw/zinc/38/52/63/193385263.db2.gz KJTIVLMQYZLZHW-LLVKDONJSA-N 1 0 308.813 2.152 10 0 DEAERO CC[C@@](C)([C@H](Cc1nc(C)c(C)s1)[NH2+]C)N1CCOCC1 ZINC000094974263 193409451 /nfs/dbraw/zinc/40/94/51/193409451.db2.gz RMMMQHQFGFELFK-HOCLYGCPSA-N 1 0 311.495 2.391 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)Nc1cnc(Br)cn1 ZINC000094754489 193395641 /nfs/dbraw/zinc/39/56/41/193395641.db2.gz ZVXQYMAFFGIJBQ-DTWKUNHWSA-N 1 0 313.199 2.085 10 0 DEAERO CC1(C)CCN(S(=O)(=O)c2ccc(C[NH2+]C3CC3)cc2)C1 ZINC000094805665 193399428 /nfs/dbraw/zinc/39/94/28/193399428.db2.gz QCWLRWJJYFBDEH-UHFFFAOYSA-N 1 0 308.447 2.359 10 0 DEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000282480412 217027154 /nfs/dbraw/zinc/02/71/54/217027154.db2.gz VHRXSVSMGZTDGJ-UFBFGSQYSA-N 1 0 315.186 2.345 10 0 DEAERO Cc1cc([C@H](O)[C@@]2(C[NH3+])CCOC2)ccc1Br ZINC000161993084 197535917 /nfs/dbraw/zinc/53/59/17/197535917.db2.gz XRKVRIWYNOSJPY-QWHCGFSZSA-N 1 0 300.196 2.156 10 0 DEAERO Cc1cc([C@@H](O)[C@]2(C[NH3+])CCOC2)ccc1Br ZINC000161992973 197534976 /nfs/dbraw/zinc/53/49/76/197534976.db2.gz XRKVRIWYNOSJPY-OLZOCXBDSA-N 1 0 300.196 2.156 10 0 DEAERO C[C@H](O)[C@@H]1CCN([C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000161647722 197509514 /nfs/dbraw/zinc/50/95/14/197509514.db2.gz PKTOXDQYYKNBDO-SUHUHFCYSA-N 1 0 313.239 2.152 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2c(F)cccc2Br)C1 ZINC000161113256 197465574 /nfs/dbraw/zinc/46/55/74/197465574.db2.gz SZJSXJRWCCPWIF-BDAKNGLRSA-N 1 0 315.186 2.398 10 0 DEAERO CCCc1c(NN)[nH+]cnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000161012407 197457552 /nfs/dbraw/zinc/45/75/52/197457552.db2.gz DKMQOWRLILGICM-SECBINFHSA-N 1 0 303.332 2.493 10 0 DEAERO CCn1ccnc1[C@H](C)NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000454641286 246016602 /nfs/dbraw/zinc/01/66/02/246016602.db2.gz FJQBAYISEXUYEW-AWEZNQCLSA-N 1 0 321.469 2.385 10 0 DEAERO CC(C)C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)C1CCCC1 ZINC000097836284 193763772 /nfs/dbraw/zinc/76/37/72/193763772.db2.gz FWIGRLJDFWMZBA-AWEZNQCLSA-N 1 0 302.484 2.359 10 0 DEAERO CO[C@@H]1CC[C@@H](NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000454838627 246188938 /nfs/dbraw/zinc/18/89/38/246188938.db2.gz BKPMMKIACQMIEL-OWCLPIDISA-N 1 0 311.470 2.364 10 0 DEAERO Cc1c(C(=O)N2CCC[C@@H]2C[NH+](C)C)oc2c1C(=O)CCC2 ZINC000267510965 206115716 /nfs/dbraw/zinc/11/57/16/206115716.db2.gz IPFSNQXPYFPRMC-GFCCVEGCSA-N 1 0 304.390 2.273 10 0 DEAERO CCCOc1ccc(OCC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1 ZINC000155051362 291599432 /nfs/dbraw/zinc/59/94/32/291599432.db2.gz JQMSXTZXFDKXQZ-GJZGRUSLSA-N 1 0 320.433 2.405 10 0 DEAERO CC1(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)COC1 ZINC000156287228 291617297 /nfs/dbraw/zinc/61/72/97/291617297.db2.gz WQGCEXOFUPMWJQ-UHFFFAOYSA-N 1 0 323.481 2.321 10 0 DEAERO COCC[NH+]1[C@@H](C)CN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000036123457 182804166 /nfs/dbraw/zinc/80/41/66/182804166.db2.gz RRKVWNYAKZIPMW-KBPBESRZSA-N 1 0 324.852 2.450 10 0 DEAERO COc1ccc([C@@H](O)[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000037445640 182894532 /nfs/dbraw/zinc/89/45/32/182894532.db2.gz PQUUJDLVVAJEAW-RNCFNFMXSA-N 1 0 300.196 2.491 10 0 DEAERO C[NH+](C)C1CCN(CCNC(=O)NCC2CCCCCC2)CC1 ZINC000458603687 248393368 /nfs/dbraw/zinc/39/33/68/248393368.db2.gz VAWNMSROHFVAOQ-UHFFFAOYSA-N 1 0 324.513 2.282 10 0 DEAERO Cc1cccc(CNC(=O)C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c1 ZINC000459715279 248666122 /nfs/dbraw/zinc/66/61/22/248666122.db2.gz LIWGCINIQVFGQE-IRXDYDNUSA-N 1 0 314.429 2.112 10 0 DEAERO COC(=O)c1c(NC(=O)C[NH2+]C2CC2)sc2c1CCCC2 ZINC000040415412 183063428 /nfs/dbraw/zinc/06/34/28/183063428.db2.gz KXQDGQBWWJDQMR-UHFFFAOYSA-N 1 0 308.403 2.104 10 0 DEAERO COc1ccc(/C=C\C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1O ZINC000492408954 249059214 /nfs/dbraw/zinc/05/92/14/249059214.db2.gz UHXXKZNRFJUAAP-LYASGUKUSA-N 1 0 316.401 2.111 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000040634294 183111932 /nfs/dbraw/zinc/11/19/32/183111932.db2.gz DKNVUZNPSABYCJ-CHWSQXEVSA-N 1 0 303.387 2.126 10 0 DEAERO CCCOc1ccc(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)cc1Cl ZINC000040634369 183112562 /nfs/dbraw/zinc/11/25/62/183112562.db2.gz ZHYLAWNVIVMZSW-DGCLKSJQSA-N 1 0 312.797 2.444 10 0 DEAERO CC(C)Oc1cccc(/C=C2\SC(=O)N(CC[NH3+])C2=O)c1 ZINC000040641372 183113483 /nfs/dbraw/zinc/11/34/83/183113483.db2.gz QNJVGHYNGCJDPG-LCYFTJDESA-N 1 0 306.387 2.469 10 0 DEAERO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OC(C)C ZINC000040719624 183123744 /nfs/dbraw/zinc/12/37/44/183123744.db2.gz MHIHDPONSMFHBQ-UHFFFAOYSA-N 1 0 322.449 2.294 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)c1 ZINC000040749920 183128841 /nfs/dbraw/zinc/12/88/41/183128841.db2.gz USKREDKDFHDNOK-GOOCMWNKSA-N 1 0 308.447 2.255 10 0 DEAERO C[NH+]1CCC(Oc2c(C(N)=S)cnc3ccccc32)CC1 ZINC000041018945 183157040 /nfs/dbraw/zinc/15/70/40/183157040.db2.gz ZSYBCNQCDDNAHW-UHFFFAOYSA-N 1 0 301.415 2.342 10 0 DEAERO C[C@@H]([NH3+])c1noc(-c2cccc(I)c2)n1 ZINC000041052358 183159237 /nfs/dbraw/zinc/15/92/37/183159237.db2.gz XOBDERQONAHHFH-ZCFIWIBFSA-N 1 0 315.114 2.361 10 0 DEAERO CN(C(=O)Cc1cn2cc(Cl)ccc2n1)C1CC[NH+](C)CC1 ZINC000041291710 183183602 /nfs/dbraw/zinc/18/36/02/183183602.db2.gz IGGJMQHCXQTOGD-UHFFFAOYSA-N 1 0 320.824 2.083 10 0 DEAERO CC[NH+](CC)CCCCNC(=O)c1cccc(NC(C)=O)c1 ZINC000041527500 183197255 /nfs/dbraw/zinc/19/72/55/183197255.db2.gz UQBOAOFZZLIWHX-UHFFFAOYSA-N 1 0 305.422 2.497 10 0 DEAERO C[NH+](C)CCC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000041536346 183199665 /nfs/dbraw/zinc/19/96/65/183199665.db2.gz WQBYTNGATQQDCZ-UHFFFAOYSA-N 1 0 324.852 2.456 10 0 DEAERO CC(C)OCCOC[C@H](O)C[NH2+]CCc1ccc(Cl)cc1 ZINC000042258250 183247424 /nfs/dbraw/zinc/24/74/24/183247424.db2.gz VUDPFKUKRXQEDM-MRXNPFEDSA-N 1 0 315.841 2.275 10 0 DEAERO CN(C[C@@H]1CCCO1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042463563 183273771 /nfs/dbraw/zinc/27/37/71/183273771.db2.gz VDYZZKLCUJXYKK-UWVGGRQHSA-N 1 0 303.200 2.153 10 0 DEAERO CC(C)[N@H+](CCCO)[C@@H](C)C(=O)Nc1cc(Cl)ccc1N ZINC000042482941 183275325 /nfs/dbraw/zinc/27/53/25/183275325.db2.gz HHBOLOIKNCAKTC-NSHDSACASA-N 1 0 313.829 2.342 10 0 DEAERO COc1ccc(NC(=O)C[N@H+](CCC(N)=S)C(C)C)cc1 ZINC000042529232 183280862 /nfs/dbraw/zinc/28/08/62/183280862.db2.gz LTCAPYBVWKPJHM-UHFFFAOYSA-N 1 0 309.435 2.020 10 0 DEAERO CC[C@@H](C)N(CCOC)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042593852 183289579 /nfs/dbraw/zinc/28/95/79/183289579.db2.gz WMPLMCAOEOOBNQ-CHWSQXEVSA-N 1 0 314.451 2.142 10 0 DEAERO CC(C)CN(C(C)C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042594271 183289735 /nfs/dbraw/zinc/28/97/35/183289735.db2.gz CGMMDNDFYALUJW-UHFFFAOYSA-N 1 0 304.481 2.304 10 0 DEAERO C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000042609387 183290571 /nfs/dbraw/zinc/29/05/71/183290571.db2.gz WMXOBAYXWIXSBU-CZUORRHYSA-N 1 0 310.463 2.486 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1cccc(Cl)c1 ZINC000043019674 183328806 /nfs/dbraw/zinc/32/88/06/183328806.db2.gz JJGZQJFZIQHVGX-JVXZTZIISA-N 1 0 309.826 2.475 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCCC[C@@H]1C(N)=O ZINC000043052360 183332504 /nfs/dbraw/zinc/33/25/04/183332504.db2.gz ZCALABZPAGXTBD-RBSFLKMASA-N 1 0 309.841 2.458 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N(CC(N)=O)C1CCCC1 ZINC000043052486 183332977 /nfs/dbraw/zinc/33/29/77/183332977.db2.gz YCULDEVESYUEIE-BDJLRTHQSA-N 1 0 309.841 2.458 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCN(C(C)=O)CC1 ZINC000043251969 183346355 /nfs/dbraw/zinc/34/63/55/183346355.db2.gz TZJQRBZTEUBRAO-FZMZJTMJSA-N 1 0 315.870 2.344 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1sccc1C)N1CCC(C(=O)NC)CC1 ZINC000043248020 183347079 /nfs/dbraw/zinc/34/70/79/183347079.db2.gz MUXSEORDHDVPIF-UONOGXRCSA-N 1 0 309.479 2.293 10 0 DEAERO CCN(CC(=O)NC(C)C)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043253639 183347598 /nfs/dbraw/zinc/34/75/98/183347598.db2.gz NJQNCUQVEBDDMY-JTQLQIEISA-N 1 0 303.859 2.248 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCC(CC(N)=O)CC1 ZINC000043253808 183347744 /nfs/dbraw/zinc/34/77/44/183347744.db2.gz JGILHOOHGFCPBL-YMTOWFKASA-N 1 0 315.870 2.377 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCC[C@@H]1C(=O)N(C)C ZINC000043252786 183348132 /nfs/dbraw/zinc/34/81/32/183348132.db2.gz JIQRBIHCLCHNPY-OPQQBVKSSA-N 1 0 315.870 2.342 10 0 DEAERO CCNC(=O)CN(C)[C@@H](c1ccc(Cl)s1)[C@@H]([NH3+])CC ZINC000043253585 183348367 /nfs/dbraw/zinc/34/83/67/183348367.db2.gz PRTYSPCWNVIKEY-TVQRCGJNSA-N 1 0 303.859 2.248 10 0 DEAERO [NH3+][C@@H](c1ccc(Br)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043299835 183351197 /nfs/dbraw/zinc/35/11/97/183351197.db2.gz XABPTPWGEBQVHZ-WRWORJQWSA-N 1 0 322.199 2.023 10 0 DEAERO Cc1nc(C)n([C@@H](C[NH3+])c2cc(Br)cs2)n1 ZINC000043288134 183351552 /nfs/dbraw/zinc/35/15/52/183351552.db2.gz KLADZDQRRFODSE-VIFPVBQESA-N 1 0 301.213 2.267 10 0 DEAERO C[NH2+][C@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300562 183352037 /nfs/dbraw/zinc/35/20/37/183352037.db2.gz DQYYQVDHDFCBBO-ZYHUDNBSSA-N 1 0 307.337 2.401 10 0 DEAERO C[C@@H](CC[NH+](C)C)Nc1nc2c(cc1C(N)=S)CCCC2 ZINC000043410949 183359604 /nfs/dbraw/zinc/35/96/04/183359604.db2.gz KDCLNNYDGSFINE-NSHDSACASA-N 1 0 306.479 2.347 10 0 DEAERO CC(C)C[N@H+](CCC(N)=S)CC(=O)Nc1ccc(F)cc1 ZINC000043418597 183361030 /nfs/dbraw/zinc/36/10/30/183361030.db2.gz HQVOSPSXPYMGKI-UHFFFAOYSA-N 1 0 311.426 2.398 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1NCC1CC[NH2+]CC1 ZINC000044509268 183416952 /nfs/dbraw/zinc/41/69/52/183416952.db2.gz VLEZUMXERYSGON-UHFFFAOYSA-N 1 0 301.312 2.216 10 0 DEAERO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262617069 291687923 /nfs/dbraw/zinc/68/79/23/291687923.db2.gz ZEZAKZPHIPTOCQ-ZDUSSCGKSA-N 1 0 315.417 2.025 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NCCc2cscn2)CC1 ZINC000494988149 249579924 /nfs/dbraw/zinc/57/99/24/249579924.db2.gz XBGDZSAPMSXVPA-UHFFFAOYSA-N 1 0 324.494 2.449 10 0 DEAERO COc1ccc(NC(=O)CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000104080008 193981382 /nfs/dbraw/zinc/98/13/82/193981382.db2.gz FVHXJIVREJFUJV-UHFFFAOYSA-N 1 0 317.433 2.194 10 0 DEAERO CC[NH2+][C@](C)(CCCCOc1ccc(F)c(F)c1)C(N)=O ZINC000045544665 183514398 /nfs/dbraw/zinc/51/43/98/183514398.db2.gz YBWVTZQPWVHWGT-OAHLLOKOSA-N 1 0 300.349 2.367 10 0 DEAERO COc1ccc(CCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000105071143 194069055 /nfs/dbraw/zinc/06/90/55/194069055.db2.gz QIEKXOYEBRYAFZ-INIZCTEOSA-N 1 0 317.433 2.117 10 0 DEAERO CN(C)c1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104992277 194062333 /nfs/dbraw/zinc/06/23/33/194062333.db2.gz JXYVKTPCYOSDLV-CQSZACIVSA-N 1 0 302.422 2.455 10 0 DEAERO O=C1C[C@@H]([NH2+]CCc2ccsc2)C(=O)N1c1ccccc1 ZINC000105034504 194065834 /nfs/dbraw/zinc/06/58/34/194065834.db2.gz ULINODTXHZLSCO-CQSZACIVSA-N 1 0 300.383 2.212 10 0 DEAERO COCc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000105122818 194075551 /nfs/dbraw/zinc/07/55/51/194075551.db2.gz MKIWIWKTMTUNEC-QGZVFWFLSA-N 1 0 317.433 2.213 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2nc(C(C)(C)C)cs2)C1 ZINC000105296587 194094382 /nfs/dbraw/zinc/09/43/82/194094382.db2.gz MYEGUDGSUOZNTI-LLVKDONJSA-N 1 0 310.467 2.286 10 0 DEAERO O[C@H](C[NH+]1CCC(Nc2cccnn2)CC1)c1ccccc1F ZINC000105805562 194133018 /nfs/dbraw/zinc/13/30/18/194133018.db2.gz MFVZNHLQEFDCDI-MRXNPFEDSA-N 1 0 316.380 2.226 10 0 DEAERO O[C@H](C[NH+]1CCC(Nc2cccnn2)CC1)c1ccc(F)cc1 ZINC000105805290 194133605 /nfs/dbraw/zinc/13/36/05/194133605.db2.gz MZGVJVOSRZUFMR-MRXNPFEDSA-N 1 0 316.380 2.226 10 0 DEAERO CCc1ccc2c(C[NH2+][C@H]3CCc4ncnn4C3)cc(=O)oc2c1 ZINC000105870787 194152094 /nfs/dbraw/zinc/15/20/94/194152094.db2.gz FFVHJFYUKZZYIP-AWEZNQCLSA-N 1 0 324.384 2.052 10 0 DEAERO O[C@@H](C[NH+]1CCC(Cn2cccn2)CC1)c1ccc(F)cc1 ZINC000105886796 194157407 /nfs/dbraw/zinc/15/74/07/194157407.db2.gz ZKGCPNUOSLGERE-KRWDZBQOSA-N 1 0 303.381 2.468 10 0 DEAERO CC(C)=CC[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894339 194159862 /nfs/dbraw/zinc/15/98/62/194159862.db2.gz NTMVBLSCGMBWCR-QGZVFWFLSA-N 1 0 304.434 2.010 10 0 DEAERO CCn1cnnc1C1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105904700 194166030 /nfs/dbraw/zinc/16/60/30/194166030.db2.gz CTIYTAXTASFJGW-INIZCTEOSA-N 1 0 300.406 2.211 10 0 DEAERO CO[C@H]1C[C@@H](CN(C)C(=O)c2cncc3ccccc32)[N@H+](C)C1 ZINC000285028905 218261674 /nfs/dbraw/zinc/26/16/74/218261674.db2.gz HYUASPCPKXDWMK-GJZGRUSLSA-N 1 0 313.401 2.026 10 0 DEAERO COCC[N@@H+]1CCN(Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC000106106959 194184925 /nfs/dbraw/zinc/18/49/25/194184925.db2.gz GNBDZVRDQFDSGK-ZDUSSCGKSA-N 1 0 314.376 2.441 10 0 DEAERO CC[C@@H]([NH2+]C)c1ccc(OCC(=O)NCC(F)(F)F)cc1 ZINC000049309615 183724781 /nfs/dbraw/zinc/72/47/81/183724781.db2.gz OLLAMBVJKKGLPT-GFCCVEGCSA-N 1 0 304.312 2.414 10 0 DEAERO CSc1ccc(NS(=O)(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000049640778 183749881 /nfs/dbraw/zinc/74/98/81/183749881.db2.gz MLHBZUWOPJGPGP-NSHDSACASA-N 1 0 300.449 2.150 10 0 DEAERO C[C@@H](NS(=O)(=O)C[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000049646082 183751740 /nfs/dbraw/zinc/75/17/40/183751740.db2.gz CQPDLCFEZYKKBH-MFKMUULPSA-N 1 0 302.827 2.072 10 0 DEAERO CC(C)[C@H](NS(=O)(=O)C1CC[NH2+]CC1)c1cccs1 ZINC000049646451 183752215 /nfs/dbraw/zinc/75/22/15/183752215.db2.gz PSXVVOHIOAJBNT-ZDUSSCGKSA-N 1 0 302.465 2.117 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)c2cccc(F)c2)cc1 ZINC000050010263 183767596 /nfs/dbraw/zinc/76/75/96/183767596.db2.gz PGGOFIBRVJAPNF-UHFFFAOYSA-N 1 0 308.378 2.370 10 0 DEAERO C[C@@H](C(=O)c1ccc(Br)cc1)N1CCC([NH3+])CC1 ZINC000050158256 183774999 /nfs/dbraw/zinc/77/49/99/183774999.db2.gz BCOFPYJROAUUOV-JTQLQIEISA-N 1 0 311.223 2.443 10 0 DEAERO NC(=O)c1cc(NC(=O)CC[C@H]2CCCC[NH2+]2)ccc1Cl ZINC000050944462 183808382 /nfs/dbraw/zinc/80/83/82/183808382.db2.gz ZULNFZROHIHBQH-SNVBAGLBSA-N 1 0 309.797 2.300 10 0 DEAERO CCn1cc(-c2csc(C(C)(C)N3CC[NH2+]CC3)n2)cn1 ZINC000109473041 194267403 /nfs/dbraw/zinc/26/74/03/194267403.db2.gz BWOGTHQNNFAOKI-UHFFFAOYSA-N 1 0 305.451 2.167 10 0 DEAERO CC(C)C[NH2+]Cc1cc(Br)cnc1-n1cncn1 ZINC000051489748 183828242 /nfs/dbraw/zinc/82/82/42/183828242.db2.gz SIXABEOCROBFJI-UHFFFAOYSA-N 1 0 310.199 2.170 10 0 DEAERO CC[NH2+]CCS(=O)(=O)Nc1cccc(O[C@@H](C)CC)c1 ZINC000051781607 183836925 /nfs/dbraw/zinc/83/69/25/183836925.db2.gz OAECHSHPRHWRTC-LBPRGKRZSA-N 1 0 300.424 2.215 10 0 DEAERO CC(C)[NH2+]C[C@@H](Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052951337 183881479 /nfs/dbraw/zinc/88/14/79/183881479.db2.gz IMIRQNSLQOUJBJ-HUUCEWRRSA-N 1 0 313.438 2.417 10 0 DEAERO C[C@@H](C[NH3+])N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000110460714 194332080 /nfs/dbraw/zinc/33/20/80/194332080.db2.gz KACDAEIQTYONEW-LBPRGKRZSA-N 1 0 301.356 2.170 10 0 DEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000110513992 194336024 /nfs/dbraw/zinc/33/60/24/194336024.db2.gz LBUHDDOJBBXENE-HNNXBMFYSA-N 1 0 309.454 2.398 10 0 DEAERO CSc1ccccc1NC(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000110650090 194346498 /nfs/dbraw/zinc/34/64/98/194346498.db2.gz UPQHHUPOUQVXNA-GFCCVEGCSA-N 1 0 307.463 2.406 10 0 DEAERO O=S(=O)(c1ccc(NCC[C@@H]2CC[NH2+]C2)cc1)C(F)F ZINC000110798424 194360398 /nfs/dbraw/zinc/36/03/98/194360398.db2.gz WCBCTCOTBJVKBK-JTQLQIEISA-N 1 0 304.362 2.094 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccccc1Br ZINC000054308912 183933828 /nfs/dbraw/zinc/93/38/28/183933828.db2.gz IADHGZKFSSRTQJ-NSHDSACASA-N 1 0 311.223 2.455 10 0 DEAERO CC(=O)NCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000110820211 194360767 /nfs/dbraw/zinc/36/07/67/194360767.db2.gz IAWZTXMXXSEZNN-CQSZACIVSA-N 1 0 311.223 2.032 10 0 DEAERO COc1ccc([C@@H](C[NH3+])N2CCSCC2)c(Cl)c1OC ZINC000110827613 194362447 /nfs/dbraw/zinc/36/24/47/194362447.db2.gz RMISUKOKQSTFEB-LLVKDONJSA-N 1 0 316.854 2.406 10 0 DEAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000110927852 194369634 /nfs/dbraw/zinc/36/96/34/194369634.db2.gz LFXKBFJNFLRRJV-SECBINFHSA-N 1 0 323.245 2.366 10 0 DEAERO CNc1nc(CN2CC[N@H+](C)C(C)(C)C2)nc2sccc21 ZINC000110743156 194357447 /nfs/dbraw/zinc/35/74/47/194357447.db2.gz VWIJJHNZIUYSJS-UHFFFAOYSA-N 1 0 305.451 2.259 10 0 DEAERO O[C@H]1C[NH2+]C[C@H]1Oc1ccc2cc(Br)ccc2c1 ZINC000111060056 194387114 /nfs/dbraw/zinc/38/71/14/194387114.db2.gz OLKDOEOBFPQGME-UONOGXRCSA-N 1 0 308.175 2.314 10 0 DEAERO CCC[NH2+][C@H](C)c1sc(N2CCS(=O)CC2)nc1C ZINC000054907469 183954453 /nfs/dbraw/zinc/95/44/53/183954453.db2.gz MPLSPKLKZCCRAM-SNVBAGLBSA-N 1 0 301.481 2.081 10 0 DEAERO CC(C)(C)c1nc(N2CC[NH+](CC3CC3)CC2)sc1CO ZINC000055014681 183957668 /nfs/dbraw/zinc/95/76/68/183957668.db2.gz RAURDSXVCLYGPT-UHFFFAOYSA-N 1 0 309.479 2.465 10 0 DEAERO O=C1NCCC[C@@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000336785206 284881746 /nfs/dbraw/zinc/88/17/46/284881746.db2.gz BVGATEDQXDNQQI-STQMWFEESA-N 1 0 309.207 2.305 10 0 DEAERO C[C@H]1C[C@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112217106 194441919 /nfs/dbraw/zinc/44/19/19/194441919.db2.gz CCZGEOXNFGLLIF-UONOGXRCSA-N 1 0 311.495 2.446 10 0 DEAERO CC(C)([C@@H]([NH3+])Cc1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000157675612 197207030 /nfs/dbraw/zinc/20/70/30/197207030.db2.gz BZZDRPVQVLHTEX-NSHDSACASA-N 1 0 309.353 2.398 10 0 DEAERO COC(=O)CSc1nc2ccccc2n1C[NH+]1CCCC1 ZINC000059506658 184138823 /nfs/dbraw/zinc/13/88/23/184138823.db2.gz FMYHVQRREHPTLW-UHFFFAOYSA-N 1 0 305.403 2.355 10 0 DEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1Cc1ccc2c(c1)OCO2 ZINC000059854280 184141480 /nfs/dbraw/zinc/14/14/80/184141480.db2.gz AEEKRDUATGZNPY-CYBMUJFWSA-N 1 0 320.389 2.167 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CCc2cc(OC)ccc21 ZINC000060530215 184151426 /nfs/dbraw/zinc/15/14/26/184151426.db2.gz AGMCZXAIRLJMEN-UHFFFAOYSA-N 1 0 305.422 2.499 10 0 DEAERO O=C(c1cc(Br)c[nH]1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000060079288 184144048 /nfs/dbraw/zinc/14/40/48/184144048.db2.gz ULZQDMLLFMPPKP-LLVKDONJSA-N 1 0 312.211 2.088 10 0 DEAERO Cn1c(CN2CCC[NH2+]CC2)nc2cc(Br)ccc21 ZINC000061145513 184163269 /nfs/dbraw/zinc/16/32/69/184163269.db2.gz WRVHUXKOTPOMAN-UHFFFAOYSA-N 1 0 323.238 2.131 10 0 DEAERO CCN(CC)c1nc(Cl)nc(N[C@@H]2CCC[N@H+](CC)C2)n1 ZINC000061539222 184173094 /nfs/dbraw/zinc/17/30/94/184173094.db2.gz FFLUJTOIAQMDCF-LLVKDONJSA-N 1 0 312.849 2.267 10 0 DEAERO COc1ccc(NS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000061568494 184175045 /nfs/dbraw/zinc/17/50/45/184175045.db2.gz OINSXKNVQVVFBK-ZDUSSCGKSA-N 1 0 312.435 2.278 10 0 DEAERO Cc1ccc([C@@H](Sc2n[nH]c(=O)n2C2CC2)[C@H](C)[NH3+])cc1 ZINC000061594519 184176160 /nfs/dbraw/zinc/17/61/60/184176160.db2.gz SUDAMEPNENZQIS-GWCFXTLKSA-N 1 0 304.419 2.395 10 0 DEAERO CCCn1c(Sc2cccc(Cl)c2C(N)=[NH2+])n[nH]c1=O ZINC000061595657 184176579 /nfs/dbraw/zinc/17/65/79/184176579.db2.gz UJXKYXCOCAKZNL-UHFFFAOYSA-N 1 0 311.798 2.070 10 0 DEAERO Cc1nc2ccccc2nc1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000061761360 184186928 /nfs/dbraw/zinc/18/69/28/184186928.db2.gz LPNTZZLRPVPTDG-UHFFFAOYSA-N 1 0 312.417 2.238 10 0 DEAERO [NH3+]C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCCOCC1 ZINC000061916561 184195098 /nfs/dbraw/zinc/19/50/98/184195098.db2.gz OIPBNDAHPTVTFW-ZDUSSCGKSA-N 1 0 304.312 2.307 10 0 DEAERO C[NH2+][C@@H]1CCCCCC[C@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941060 184197248 /nfs/dbraw/zinc/19/72/48/184197248.db2.gz VPXSVRRENGBUEJ-ZIAGYGMSSA-N 1 0 307.404 2.477 10 0 DEAERO C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)C1CC[NH2+]CC1 ZINC000062027789 184201656 /nfs/dbraw/zinc/20/16/56/184201656.db2.gz CXYHUCJOGYAVSC-LLVKDONJSA-N 1 0 316.854 2.415 10 0 DEAERO C[C@H](CNC(=O)C1(C(N)=S)CCCCC1)C[NH+]1CCCC1 ZINC000062079917 184204973 /nfs/dbraw/zinc/20/49/73/184204973.db2.gz JEWXBTPTPVHHSV-CYBMUJFWSA-N 1 0 311.495 2.071 10 0 DEAERO COc1cc(Br)cc(C)c1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062114368 184206568 /nfs/dbraw/zinc/20/65/68/184206568.db2.gz UODZECLYQRAINS-VIFPVBQESA-N 1 0 313.195 2.314 10 0 DEAERO COC(=O)CC[C@H]([NH3+])Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000061893226 184192981 /nfs/dbraw/zinc/19/29/81/184192981.db2.gz OJHVPEFFOHOYTI-NSHDSACASA-N 1 0 313.781 2.324 10 0 DEAERO CC(C)(C)N1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000062210193 184221130 /nfs/dbraw/zinc/22/11/30/184221130.db2.gz NDBAJMCSMUVBKY-HQJQHLMTSA-N 1 0 301.184 2.441 10 0 DEAERO CC[NH2+][C@@H]1CCCc2nc(N3CCn4ccnc4C3)sc21 ZINC000062327756 184230967 /nfs/dbraw/zinc/23/09/67/184230967.db2.gz XYHUSIVOJVJNBB-LLVKDONJSA-N 1 0 303.435 2.347 10 0 DEAERO CC(C)C[NH2+]Cc1c(N(CCO)C2CC2)nc2sccn12 ZINC000062737627 184252269 /nfs/dbraw/zinc/25/22/69/184252269.db2.gz HEKWQFNALKWKIR-UHFFFAOYSA-N 1 0 308.451 2.103 10 0 DEAERO [NH3+]CCOc1cccc(NC(=O)c2cc(Br)c[nH]2)c1 ZINC000062839133 184255556 /nfs/dbraw/zinc/25/55/56/184255556.db2.gz XVHFRPYJNPURSS-UHFFFAOYSA-N 1 0 324.178 2.367 10 0 DEAERO CCC1(C)CCN(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000062959659 184262436 /nfs/dbraw/zinc/26/24/36/184262436.db2.gz WKDMAVCZCMBHSG-AWEZNQCLSA-N 1 0 302.484 2.361 10 0 DEAERO CCC[C@]1(CN2CCN(c3nccs3)CC2)CCC[NH2+]C1 ZINC000062861695 184256943 /nfs/dbraw/zinc/25/69/43/184256943.db2.gz QBSXGUGVQMHTSD-INIZCTEOSA-N 1 0 308.495 2.435 10 0 DEAERO CCC[C@@]1(C(=O)N(CCOC)[C@@H]2CCSC2)CCC[NH2+]C1 ZINC000062857003 184257251 /nfs/dbraw/zinc/25/72/51/184257251.db2.gz FYCSPAUMVVOKFO-GDBMZVCRSA-N 1 0 314.495 2.137 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1 ZINC000063213131 184278499 /nfs/dbraw/zinc/27/84/99/184278499.db2.gz AEOZBSQHZQSLHR-QWHCGFSZSA-N 1 0 302.827 2.278 10 0 DEAERO CCNS(=O)(=O)c1ccccc1N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063214794 184278781 /nfs/dbraw/zinc/27/87/81/184278781.db2.gz WCUVYERTGPDLAH-STQMWFEESA-N 1 0 311.451 2.057 10 0 DEAERO CCCNc1snnc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062969562 184263457 /nfs/dbraw/zinc/26/34/57/184263457.db2.gz KCNDNZPQAGTFGN-CYBMUJFWSA-N 1 0 309.483 2.420 10 0 DEAERO Clc1ccc(NCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000062974832 184263829 /nfs/dbraw/zinc/26/38/29/184263829.db2.gz JXQMLKHAJVNZRA-MRXNPFEDSA-N 1 0 309.841 2.158 10 0 DEAERO C[C@]([NH3+])(CCCS(C)(=O)=O)c1ccccc1Br ZINC000063016357 184266918 /nfs/dbraw/zinc/26/69/18/184266918.db2.gz LELOGFCIRLQFJR-LBPRGKRZSA-N 1 0 320.252 2.448 10 0 DEAERO CC[NH2+]C[C@@H](CCCS(C)(=O)=O)Cc1ccccc1F ZINC000063018304 184267550 /nfs/dbraw/zinc/26/75/50/184267550.db2.gz PUEKVQZVJMMHSL-ZDUSSCGKSA-N 1 0 301.427 2.419 10 0 DEAERO COC[C@@H](C)C[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000189806676 335045321 /nfs/dbraw/zinc/04/53/21/335045321.db2.gz YPAVGNRSAOIGLB-AWEZNQCLSA-N 1 0 324.852 2.309 10 0 DEAERO Cc1c(CN2CC[NH+](C(C)C)CC2)nnn1-c1ccc(F)cc1 ZINC000065239675 184317167 /nfs/dbraw/zinc/31/71/67/184317167.db2.gz UDFQJTMHZIKLSE-UHFFFAOYSA-N 1 0 317.412 2.241 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N[C@@H](C)CC)cc(C)c1F ZINC000159081785 197325167 /nfs/dbraw/zinc/32/51/67/197325167.db2.gz ZRMUAFFQACWLKY-NSHDSACASA-N 1 0 302.415 2.320 10 0 DEAERO O=C(Nc1ccccc1OC[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000066152654 184393620 /nfs/dbraw/zinc/39/36/20/184393620.db2.gz BIIKZSQPGFCWQR-UONOGXRCSA-N 1 0 304.390 2.183 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3sccc3-n3cccc3)C[C@@H]12 ZINC000186925764 207368779 /nfs/dbraw/zinc/36/87/79/207368779.db2.gz SINPWGPEDAWYPK-JHJVBQTASA-N 1 0 301.415 2.348 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cnc(C)cn3)[C@H]2C1 ZINC000555625265 291800648 /nfs/dbraw/zinc/80/06/48/291800648.db2.gz DJHMVUCRBCMMCQ-OEAJRASXSA-N 1 0 302.422 2.083 10 0 DEAERO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000068615340 184493285 /nfs/dbraw/zinc/49/32/85/184493285.db2.gz NDQFWFZFPXHYBX-KCQAQPDRSA-N 1 0 302.484 2.215 10 0 DEAERO CC(C)(C)[C@H]1CC[C@H](C[NH3+])[C@H](S(=O)(=O)C2CCOCC2)C1 ZINC000068609739 184493291 /nfs/dbraw/zinc/49/32/91/184493291.db2.gz OZOPNLAYFSZNHV-VNHYZAJKSA-N 1 0 317.495 2.370 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](C)N1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000069133661 184499981 /nfs/dbraw/zinc/49/99/81/184499981.db2.gz IXTATBGCPMLQIJ-IUCAKERBSA-N 1 0 323.245 2.364 10 0 DEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000536831855 284978051 /nfs/dbraw/zinc/97/80/51/284978051.db2.gz ISTOYRDBEQRAIS-TVYUQYBPSA-N 1 0 300.196 2.250 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000538187404 285027395 /nfs/dbraw/zinc/02/73/95/285027395.db2.gz GEVBQHHQHHLHFH-XBFCOCLRSA-N 1 0 315.360 2.172 10 0 DEAERO Cc1ccnn1-c1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000538315024 285031316 /nfs/dbraw/zinc/03/13/16/285031316.db2.gz CHBFHTAECLPQIL-UHFFFAOYSA-N 1 0 300.406 2.204 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cnccn1 ZINC000119965131 195070295 /nfs/dbraw/zinc/07/02/95/195070295.db2.gz LXYUWPINRHLQRI-NEPJUHHUSA-N 1 0 303.797 2.455 10 0 DEAERO COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000120070808 195091364 /nfs/dbraw/zinc/09/13/64/195091364.db2.gz IQXGIIKXPPRHPU-CZUORRHYSA-N 1 0 309.406 2.319 10 0 DEAERO C[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1C1CCS(=O)CC1 ZINC000159207218 197336703 /nfs/dbraw/zinc/33/67/03/197336703.db2.gz HEJJNXQGGIEEJR-XXGLHCKMSA-N 1 0 306.475 2.107 10 0 DEAERO CC[NH2+][C@@H](Cc1cccnc1)c1c(Br)cnn1C ZINC000159208156 197336467 /nfs/dbraw/zinc/33/64/67/197336467.db2.gz RGKJNPLOKBVLKR-LBPRGKRZSA-N 1 0 309.211 2.471 10 0 DEAERO [NH3+][C@H](C[S@@](=O)c1ccc2c(c1)OCCCO2)C1CCCC1 ZINC000159164730 197332510 /nfs/dbraw/zinc/33/25/10/197332510.db2.gz LSNPVZVRJOTSIY-SZNDQCEHSA-N 1 0 309.431 2.473 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C)cc(C[NH3+])c1F ZINC000159104482 197327881 /nfs/dbraw/zinc/32/78/81/197327881.db2.gz KYCBQTNBQYECIF-JQWIXIFHSA-N 1 0 314.426 2.402 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CC[C@@H](C)C2)cc(C)c1F ZINC000159094147 197326532 /nfs/dbraw/zinc/32/65/32/197326532.db2.gz JBEWULGNVOJYAS-LLVKDONJSA-N 1 0 314.426 2.274 10 0 DEAERO CCCNc1nc(SCC[NH+](C)C)nc(N(CC)CC)n1 ZINC000159065544 197323340 /nfs/dbraw/zinc/32/33/40/197323340.db2.gz TZWVHQSTAYPCSV-UHFFFAOYSA-N 1 0 312.487 2.193 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)COc1ccc2c(c1)CCCC2 ZINC000540516212 285119440 /nfs/dbraw/zinc/11/94/40/285119440.db2.gz AIXCNZLHLWKPJW-UHFFFAOYSA-N 1 0 304.434 2.354 10 0 DEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N2CCSC(C)(C)C2)cc1 ZINC000158873830 197307026 /nfs/dbraw/zinc/30/70/26/197307026.db2.gz DIOQFGCDCWAEIO-LLVKDONJSA-N 1 0 314.476 2.222 10 0 DEAERO COc1ccc(CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1F ZINC000120234311 195124072 /nfs/dbraw/zinc/12/40/72/195124072.db2.gz ZAZHWOPHOXIKNO-AWEZNQCLSA-N 1 0 310.413 2.469 10 0 DEAERO [NH3+][C@@H](CSc1ccc(Br)cn1)[C@H]1CCOC1 ZINC000158784405 197301392 /nfs/dbraw/zinc/30/13/92/197301392.db2.gz LFBAWTPVNRWPSN-WPRPVWTQSA-N 1 0 303.225 2.300 10 0 DEAERO [NH3+][C@H](CSc1ncccc1Br)[C@H]1CCOC1 ZINC000158783702 197301031 /nfs/dbraw/zinc/30/10/31/197301031.db2.gz YPCKJABADLIGJX-WCBMZHEXSA-N 1 0 303.225 2.300 10 0 DEAERO Cc1cc(C[NH3+])cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c1C ZINC000158765103 197299780 /nfs/dbraw/zinc/29/97/80/197299780.db2.gz ZWTMZIFYIQXWCH-HUUCEWRRSA-N 1 0 308.447 2.183 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(Cc3nc(-c4ccoc4)no3)CC[C@@H]21 ZINC000158758689 197299026 /nfs/dbraw/zinc/29/90/26/197299026.db2.gz GGOVKTKOQULNBC-OCCSQVGLSA-N 1 0 302.378 2.246 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@@H]2CCCOC2)CC1 ZINC000540937013 285141587 /nfs/dbraw/zinc/14/15/87/285141587.db2.gz MSMGMWHSBRKVNO-GDBMZVCRSA-N 1 0 311.470 2.223 10 0 DEAERO [NH3+]C[C@H](c1cccc(Br)c1)[C@@H](O)c1ncccn1 ZINC000158514751 197280948 /nfs/dbraw/zinc/28/09/48/197280948.db2.gz OHXYZCZBHCTAIF-VXGBXAGGSA-N 1 0 308.179 2.015 10 0 DEAERO C[C@H](CS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000158484807 197277888 /nfs/dbraw/zinc/27/78/88/197277888.db2.gz YUWIOXGOENITHV-VNQPRFMTSA-N 1 0 310.463 2.322 10 0 DEAERO C[N@H+](CCCC(=O)Nc1ccc(Cl)cc1N)[C@@H]1CCOC1 ZINC000158208730 197253168 /nfs/dbraw/zinc/25/31/68/197253168.db2.gz MDHSTGUKUOICGS-GFCCVEGCSA-N 1 0 311.813 2.362 10 0 DEAERO COc1cccc(C[NH2+]C2CCS(=O)CC2)c1OC(F)F ZINC000157922275 197227214 /nfs/dbraw/zinc/22/72/14/197227214.db2.gz OZCKSTNJOQBIEQ-UHFFFAOYSA-N 1 0 319.373 2.297 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1[C@H](O)CC1CC1 ZINC000157818511 197217696 /nfs/dbraw/zinc/21/76/96/197217696.db2.gz IVYHVBJGGZCTIW-LLVKDONJSA-N 1 0 302.216 2.041 10 0 DEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)[C@@H](C)CCSC)C1(C)C ZINC000157701048 197208951 /nfs/dbraw/zinc/20/89/51/197208951.db2.gz XFEDPNUVXCDLLN-ZOWXZIJZSA-N 1 0 302.484 2.119 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1OC(F)F ZINC000157683593 197207836 /nfs/dbraw/zinc/20/78/36/197207836.db2.gz SVEYYBYAEQXDLA-LDYMZIIASA-N 1 0 302.296 2.284 10 0 DEAERO CCc1nnc(N2CCS[C@H](CC)C2)c(C(N)=[NH2+])c1CC ZINC000157597770 197201042 /nfs/dbraw/zinc/20/10/42/197201042.db2.gz XTGVNMFRKZFHCL-SNVBAGLBSA-N 1 0 307.467 2.217 10 0 DEAERO Cc1c(C(F)(F)F)cccc1S(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000157600946 197200530 /nfs/dbraw/zinc/20/05/30/197200530.db2.gz SQQSRZKYVOPPSL-LLVKDONJSA-N 1 0 322.352 2.029 10 0 DEAERO C[C@](F)(C[C@H]1CCCN(S(C)(=O)=O)C1)C[C@@H]1CCCC[NH2+]1 ZINC000157483616 197191212 /nfs/dbraw/zinc/19/12/12/197191212.db2.gz BGCXOMUXPNQSEW-ILXRZTDVSA-N 1 0 320.474 2.309 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)NCCC2CCC2)cc(F)c1Cl ZINC000157491886 197190980 /nfs/dbraw/zinc/19/09/80/197190980.db2.gz JRUZKOIIDZFDRT-UHFFFAOYSA-N 1 0 320.817 2.406 10 0 DEAERO Nc1cc(Br)cnc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157445936 197187754 /nfs/dbraw/zinc/18/77/54/197187754.db2.gz YKIZIYXTEWLATB-GHMZBOCLSA-N 1 0 311.227 2.465 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(OC)c(F)c1)C(C)(C)S(C)(=O)=O ZINC000157290815 197177711 /nfs/dbraw/zinc/17/77/11/197177711.db2.gz MUSFHJCZPJHEBJ-CQSZACIVSA-N 1 0 317.426 2.178 10 0 DEAERO CC[NH+](CC)CCNC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000157291216 197177331 /nfs/dbraw/zinc/17/73/31/197177331.db2.gz CKJQFNXFBNRZPI-OAHLLOKOSA-N 1 0 309.410 2.013 10 0 DEAERO CCNc1cc(-n2nc(C)c(Br)c2C)nc(N)[nH+]1 ZINC000157282668 197176294 /nfs/dbraw/zinc/17/62/94/197176294.db2.gz UFKPTDRTEKQDOW-UHFFFAOYSA-N 1 0 311.187 2.056 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)c1nnc(Cl)s1)c1ccccc1 ZINC000157246028 197173342 /nfs/dbraw/zinc/17/33/42/197173342.db2.gz UXMOYQLDVFIZJY-JTQLQIEISA-N 1 0 310.810 2.224 10 0 DEAERO Cn1nc(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1Cl ZINC000157203775 197169772 /nfs/dbraw/zinc/16/97/72/197169772.db2.gz FGACYCLNYFMOAU-GFCCVEGCSA-N 1 0 318.808 2.048 10 0 DEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N(CC(F)(F)F)C2CC2)C1(C)C ZINC000157137457 197164660 /nfs/dbraw/zinc/16/46/60/197164660.db2.gz KWEXSKVLRJAIFF-MFKMUULPSA-N 1 0 308.344 2.072 10 0 DEAERO O=C1C[C@H]([NH2+]C[C@H]2CCCCS2)C(=O)N1C1CCCCC1 ZINC000156412028 197111288 /nfs/dbraw/zinc/11/12/88/197111288.db2.gz QYGHIWDWUMLNBT-KGLIPLIRSA-N 1 0 310.463 2.322 10 0 DEAERO [NH3+]Cc1ccc([C@H](O)C[S@@](=O)c2cc(F)ccc2F)cc1 ZINC000156006697 197079823 /nfs/dbraw/zinc/07/98/23/197079823.db2.gz KUPXKXFVHRUHCP-SZNDQCEHSA-N 1 0 311.353 2.265 10 0 DEAERO CC(C)[C@@H]([NH3+])CNC(=O)c1cccc(F)c1Br ZINC000155999629 197079307 /nfs/dbraw/zinc/07/93/07/197079307.db2.gz MKPWVMYHSYUDPJ-JTQLQIEISA-N 1 0 303.175 2.301 10 0 DEAERO [NH3+]Cc1cccc(NC(=O)CC[S@@](=O)c2cccs2)c1 ZINC000155969363 197077589 /nfs/dbraw/zinc/07/75/89/197077589.db2.gz XFGFVWMSGOGQLU-FQEVSTJZSA-N 1 0 308.428 2.343 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000155601323 197071538 /nfs/dbraw/zinc/07/15/38/197071538.db2.gz ASRMFCATUIDEHS-UONOGXRCSA-N 1 0 302.374 2.221 10 0 DEAERO C[S@@](=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000155131705 197025295 /nfs/dbraw/zinc/02/52/95/197025295.db2.gz NIDRPNHOMOGSIC-ZHRRBRCNSA-N 1 0 314.410 2.077 10 0 DEAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000154910960 197004605 /nfs/dbraw/zinc/00/46/05/197004605.db2.gz NKCFUKFMWINXAJ-CQSZACIVSA-N 1 0 312.421 2.115 10 0 DEAERO CCc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120725116 195223629 /nfs/dbraw/zinc/22/36/29/195223629.db2.gz HBLLJAVERXQYLL-UKRRQHHQSA-N 1 0 317.433 2.129 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000120807299 195242036 /nfs/dbraw/zinc/24/20/36/195242036.db2.gz BLIXMBVHNRQLMD-PEHJNBARSA-N 1 0 323.481 2.220 10 0 DEAERO c1cc2cc(-c3nc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)no3)cnc2cn1 ZINC000289603744 221096447 /nfs/dbraw/zinc/09/64/47/221096447.db2.gz HQGCPHSAWXQRMO-ZFWWWQNUSA-N 1 0 323.356 2.216 10 0 DEAERO CCN1CCO[C@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000683819177 542499744 /nfs/dbraw/zinc/49/97/44/542499744.db2.gz DJMQOBAMTZNOKM-DAWZGUTISA-N 1 0 304.434 2.045 10 0 DEAERO Cc1ccc(C[N@@H+]2C[C@H](c3nc(C)no3)C[C@@H]3OCC[C@@H]32)o1 ZINC000248134070 257108029 /nfs/dbraw/zinc/10/80/29/257108029.db2.gz ZRGDORFHUMVKBS-SNPRPXQTSA-N 1 0 303.362 2.426 10 0 DEAERO O=C1[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2CN1Cc1ccncc1 ZINC000248004677 257111812 /nfs/dbraw/zinc/11/18/12/257111812.db2.gz SLQBCQMLTDHWEI-QZTJIDSGSA-N 1 0 307.397 2.172 10 0 DEAERO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nn1-c1ccccc1 ZINC000073995221 184948573 /nfs/dbraw/zinc/94/85/73/184948573.db2.gz LPQYSAIGTIBTSM-WBVHZDCISA-N 1 0 324.428 2.489 10 0 DEAERO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)[nH]1 ZINC000544597337 285363021 /nfs/dbraw/zinc/36/30/21/285363021.db2.gz BMYJYQXICVKKLA-HNNXBMFYSA-N 1 0 323.404 2.073 10 0 DEAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000121814982 195353805 /nfs/dbraw/zinc/35/38/05/195353805.db2.gz FFTUXMNUICFVKD-CYBMUJFWSA-N 1 0 304.356 2.410 10 0 DEAERO Cc1cc(C)cc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000121822513 195355822 /nfs/dbraw/zinc/35/58/22/195355822.db2.gz JKSKAVRRJRMWDJ-INIZCTEOSA-N 1 0 319.449 2.334 10 0 DEAERO CCc1nn(CC)c(CC(=O)C[C@H](C)C[NH3+])c1Br ZINC000122119443 195403875 /nfs/dbraw/zinc/40/38/75/195403875.db2.gz XIFGVWBSBNWTMH-VIFPVBQESA-N 1 0 316.243 2.324 10 0 DEAERO [NH3+]CCOc1ccc(Nc2ncc(Br)cn2)cc1 ZINC000122542094 195465173 /nfs/dbraw/zinc/46/51/73/195465173.db2.gz FDZSVCRQFLEWGZ-UHFFFAOYSA-N 1 0 309.167 2.320 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)CCSC)cc1 ZINC000124135609 195607217 /nfs/dbraw/zinc/60/72/17/195607217.db2.gz IMJLVLPZNMKBMR-GFCCVEGCSA-N 1 0 316.492 2.341 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC[C@H]([NH3+])c2ccccc2)cc1 ZINC000124608989 195660360 /nfs/dbraw/zinc/66/03/60/195660360.db2.gz LQXDXEUMVPRUJE-INIZCTEOSA-N 1 0 304.415 2.363 10 0 DEAERO Cc1ccc([C@@H]2NCC(=O)N2C[C@@H](C)C[NH+]2CCCC2)s1 ZINC000124805515 195681652 /nfs/dbraw/zinc/68/16/52/195681652.db2.gz SSRZLOUBLPCVOZ-BLLLJJGKSA-N 1 0 307.463 2.219 10 0 DEAERO C[NH2+]C[C@H]1CN(Cc2ccccc2OC(F)(F)F)CCO1 ZINC000125209500 195722715 /nfs/dbraw/zinc/72/27/15/195722715.db2.gz XEEGBKNERDBMMW-LBPRGKRZSA-N 1 0 304.312 2.005 10 0 DEAERO OC[C@H](c1ccc(Br)cc1Cl)N1CC[NH2+]CC1 ZINC000127242978 195860297 /nfs/dbraw/zinc/86/02/97/195860297.db2.gz BXELLKAFSWVEGF-GFCCVEGCSA-N 1 0 319.630 2.041 10 0 DEAERO CCOC[C@@](C)([NH3+])Cc1c(Br)c(C)nn1CC ZINC000127509492 195883965 /nfs/dbraw/zinc/88/39/65/195883965.db2.gz OAOICPBSFAPKMI-LBPRGKRZSA-N 1 0 304.232 2.270 10 0 DEAERO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000127631583 195896116 /nfs/dbraw/zinc/89/61/16/195896116.db2.gz WUBFBTANVZHUQM-FRRDWIJNSA-N 1 0 309.207 2.031 10 0 DEAERO COc1c(CN2CC[NH+](C3CCCCC3)CC2)c(C)nn1C ZINC000126493962 195844977 /nfs/dbraw/zinc/84/49/77/195844977.db2.gz SEPYOVTWXLHNKO-UHFFFAOYSA-N 1 0 306.454 2.187 10 0 DEAERO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCC([NH+](C)C)CC1 ZINC000127963586 195924387 /nfs/dbraw/zinc/92/43/87/195924387.db2.gz YYCQRZCBZFWJEH-LLVKDONJSA-N 1 0 310.829 2.088 10 0 DEAERO [NH2+]=C(NC[C@H]1CCN(CC(F)(F)F)C1)NC1CCCCC1 ZINC000052047377 132486754 /nfs/dbraw/zinc/48/67/54/132486754.db2.gz UTADMRBVFCTWLR-LLVKDONJSA-N 1 0 306.376 2.317 10 0 DEAERO CCc1cnc(CCNC(=O)N2CCC([NH2+]C(C)C)CC2)s1 ZINC000074842331 132505634 /nfs/dbraw/zinc/50/56/34/132505634.db2.gz AXHHVAKOLKJQMN-UHFFFAOYSA-N 1 0 324.494 2.420 10 0 DEAERO O=C(NCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000245869121 132572777 /nfs/dbraw/zinc/57/27/77/132572777.db2.gz JATZPFDWTJKJHF-GVDBMIGSSA-N 1 0 314.429 2.354 10 0 DEAERO Cn1cnc2c1[C@]1(CCCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC2 ZINC000725242545 542769980 /nfs/dbraw/zinc/76/99/80/542769980.db2.gz DMZOMMDUQQZNPZ-QGZVFWFLSA-N 1 0 320.437 2.182 10 0 DEAERO CC(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cnc(N)s2)C[C@@H]1C ZINC000725272981 542770991 /nfs/dbraw/zinc/77/09/91/542770991.db2.gz WSPIACOOOMQJDP-WCQYABFASA-N 1 0 310.467 2.098 10 0 DEAERO CC(C)CC(=O)N[C@H]1CC[N@H+](Cc2cnc(N)s2)C[C@H]1C ZINC000725272982 542771026 /nfs/dbraw/zinc/77/10/26/542771026.db2.gz WSPIACOOOMQJDP-YPMHNXCESA-N 1 0 310.467 2.098 10 0 DEAERO C[C@H]1CN(Cc2cnc(NC(=O)C3(C)CC3)s2)CC[C@H]1[NH3+] ZINC000725272975 542771036 /nfs/dbraw/zinc/77/10/36/542771036.db2.gz WQJBFXIJMTZXEG-CMPLNLGQSA-N 1 0 308.451 2.051 10 0 DEAERO [NH3+][C@]1(CO)CCN(C(=O)OC2c3ccccc3-c3ccccc32)C1 ZINC000725243786 542770078 /nfs/dbraw/zinc/77/00/78/542770078.db2.gz ICMLGRRUFKESMK-LJQANCHMSA-N 1 0 324.380 2.289 10 0 DEAERO C[C@@H]1CN(C)C[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000358012884 133115583 /nfs/dbraw/zinc/11/55/83/133115583.db2.gz BLEMAXFWQHMZOC-BXUZGUMPSA-N 1 0 313.239 2.368 10 0 DEAERO CC1=CCN(CC[NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000358147073 133123823 /nfs/dbraw/zinc/12/38/23/133123823.db2.gz XFYJLKJDFRAOPC-UHFFFAOYSA-N 1 0 300.450 2.423 10 0 DEAERO Cc1ccccc1CCNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358167588 133125369 /nfs/dbraw/zinc/12/53/69/133125369.db2.gz NAXWKSLQJIGAGQ-UHFFFAOYSA-N 1 0 301.434 2.489 10 0 DEAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C3CCOCC3)C1=O)CC2 ZINC000358185231 133126628 /nfs/dbraw/zinc/12/66/28/133126628.db2.gz XZPOZMJPOOOSNO-MSOLQXFVSA-N 1 0 314.429 2.352 10 0 DEAERO COCCCN(C(=O)CCOCC(C)C)C1CC[NH+](C)CC1 ZINC000358230985 133129835 /nfs/dbraw/zinc/12/98/35/133129835.db2.gz SZFPSYHILMNPMN-UHFFFAOYSA-N 1 0 314.470 2.008 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](OCc2ccncc2)C1 ZINC000360185998 133167856 /nfs/dbraw/zinc/16/78/56/133167856.db2.gz YGSUJENHOMSRBV-IAGOWNOFSA-N 1 0 317.433 2.074 10 0 DEAERO CN(CCN(C)c1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC000362758191 133249724 /nfs/dbraw/zinc/24/97/24/133249724.db2.gz INZOYOQRXZPGEM-UHFFFAOYSA-N 1 0 303.450 2.313 10 0 DEAERO CCCc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000377567014 133335172 /nfs/dbraw/zinc/33/51/72/133335172.db2.gz NYDGVMNMOYFPEP-MSOLQXFVSA-N 1 0 316.445 2.310 10 0 DEAERO O=C(CC[N@@H+]1CCCC12CCC2)NC(=O)NCc1ccccc1 ZINC000373096043 133377462 /nfs/dbraw/zinc/37/74/62/133377462.db2.gz BQEOYBXLBIPRQG-UHFFFAOYSA-N 1 0 315.417 2.421 10 0 DEAERO [NH3+]C[C@@]1(N2CCN(c3cccc(Cl)c3)CC2)CCSC1 ZINC000021014766 134651089 /nfs/dbraw/zinc/65/10/89/134651089.db2.gz DPDUTVYUDMQTTP-HNNXBMFYSA-N 1 0 311.882 2.296 10 0 DEAERO C[NH2+]Cc1nc(N2CCN(CC(F)(F)F)CC2)ccc1Cl ZINC000061948170 134804325 /nfs/dbraw/zinc/80/43/25/134804325.db2.gz DIXBADJXELDGRA-UHFFFAOYSA-N 1 0 322.762 2.139 10 0 DEAERO CC[C@@H]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000068514870 134841346 /nfs/dbraw/zinc/84/13/46/134841346.db2.gz DBAZMHFXPXTPCZ-OAHLLOKOSA-N 1 0 316.449 2.096 10 0 DEAERO C[NH2+][C@H]1CCCN(C(=O)CCC(=O)c2ccc(C)c(C)c2)C1 ZINC000133505974 144774722 /nfs/dbraw/zinc/77/47/22/144774722.db2.gz WCOLKHRSDIHHKX-INIZCTEOSA-N 1 0 302.418 2.477 10 0 DEAERO O=C(Cc1ccc(Br)s1)NCC[NH+]1CCCC1 ZINC000172051468 144815488 /nfs/dbraw/zinc/81/54/88/144815488.db2.gz PKCJRQQOICFXNQ-UHFFFAOYSA-N 1 0 317.252 2.265 10 0 DEAERO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178515213 144859764 /nfs/dbraw/zinc/85/97/64/144859764.db2.gz YPTAXMSTLYZRHR-STQMWFEESA-N 1 0 310.438 2.097 10 0 DEAERO Cc1ccc(OC2CC[NH+]([C@@H]3CCN(C(C)C)C3=O)CC2)nc1 ZINC000182840975 144922200 /nfs/dbraw/zinc/92/22/00/144922200.db2.gz MQFLGAVHONNCCY-MRXNPFEDSA-N 1 0 317.433 2.243 10 0 DEAERO c1cn(CCC[NH+]2CCC(c3nnc4ccccn43)CC2)cn1 ZINC000183177782 144926202 /nfs/dbraw/zinc/92/62/02/144926202.db2.gz FPQFSNKHCFLERE-UHFFFAOYSA-N 1 0 310.405 2.196 10 0 DEAERO COc1ccc(OCCC(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000186552304 144985054 /nfs/dbraw/zinc/98/50/54/144985054.db2.gz XSXYXLFRCHWUFW-CQSZACIVSA-N 1 0 318.417 2.207 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000187892589 145004190 /nfs/dbraw/zinc/00/41/90/145004190.db2.gz DWUTYYZICMDDQX-UHFFFAOYSA-N 1 0 321.396 2.214 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ccc(-n3ccnc3)nc2)C1 ZINC000187908384 145004915 /nfs/dbraw/zinc/00/49/15/145004915.db2.gz VSALUCWHQQWYTF-YOEHRIQHSA-N 1 0 300.406 2.250 10 0 DEAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000188945915 145020104 /nfs/dbraw/zinc/02/01/04/145020104.db2.gz RAFLQWDEUZBJFA-CHWSQXEVSA-N 1 0 316.380 2.097 10 0 DEAERO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccoc1 ZINC000189011507 145021046 /nfs/dbraw/zinc/02/10/46/145021046.db2.gz 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C/C=C\c1ccc(OCC(=O)N2CC[NH2+]C(C)(C)C2)c(OC)c1 ZINC000255682742 145204542 /nfs/dbraw/zinc/20/45/42/145204542.db2.gz LLYHSSZFPVCLQF-WAYWQWQTSA-N 1 0 318.417 2.318 10 0 DEAERO C[C@H](NC(=O)c1c[nH+]ccc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261547286 145206927 /nfs/dbraw/zinc/20/69/27/145206927.db2.gz HWNQEBWNNGLCGW-GOEBONIOSA-N 1 0 324.428 2.304 10 0 DEAERO Cc1cnc(-c2cccc(NC(=O)[C@H]([NH3+])C3CCOCC3)c2)o1 ZINC000261627031 145211895 /nfs/dbraw/zinc/21/18/95/145211895.db2.gz CQAUBAYTFREOCT-OAHLLOKOSA-N 1 0 315.373 2.342 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1ccc2c(c1)CCO2 ZINC000261640003 145212242 /nfs/dbraw/zinc/21/22/42/145212242.db2.gz DSYFXQHANLLIRE-DDUZABMNSA-N 1 0 316.401 2.093 10 0 DEAERO COc1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)ccc1F ZINC000261632084 145212678 /nfs/dbraw/zinc/21/26/78/145212678.db2.gz DDJHQDNEQXSTFF-FABXCBLPSA-N 1 0 322.380 2.305 10 0 DEAERO Cn1cc(-c2ncc(-c3nc(C4([NH3+])CCCC4)no3)s2)cn1 ZINC000261646824 145213029 /nfs/dbraw/zinc/21/30/29/145213029.db2.gz DSQXZCUDPGSDDJ-UHFFFAOYSA-N 1 0 316.390 2.322 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000261648384 145213960 /nfs/dbraw/zinc/21/39/60/145213960.db2.gz FAQIROVWGHBWAT-UHFFFAOYSA-N 1 0 311.433 2.231 10 0 DEAERO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261675635 145215716 /nfs/dbraw/zinc/21/57/16/145215716.db2.gz AITZVYWFQSGCAN-QMTHXVAHSA-N 1 0 312.360 2.318 10 0 DEAERO COc1cccc([C@H](C)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000261713768 145219809 /nfs/dbraw/zinc/21/98/09/145219809.db2.gz GIZSHOUOWSHYQC-CWRNSKLLSA-N 1 0 302.418 2.257 10 0 DEAERO Cc1cccc(NC(=O)N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261729233 145221401 /nfs/dbraw/zinc/22/14/01/145221401.db2.gz GXTPQUJZBWCDHS-GOSISDBHSA-N 1 0 316.449 2.144 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000261750877 145222457 /nfs/dbraw/zinc/22/24/57/145222457.db2.gz MQRMLWYIKZRSCO-MWLCHTKSSA-N 1 0 317.311 2.336 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)CC(=O)N1CCc2ccccc21 ZINC000261792778 145226332 /nfs/dbraw/zinc/22/63/32/145226332.db2.gz QPBWXSPCBVSVCI-UHFFFAOYSA-N 1 0 323.440 2.079 10 0 DEAERO C[C@H](c1ccccc1)N(C)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261800783 145228094 /nfs/dbraw/zinc/22/80/94/145228094.db2.gz UTJHCHMTFKIDQQ-NAZJXLNTSA-N 1 0 315.461 2.421 10 0 DEAERO O=C(c1cc(-c2cccs2)on1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261849853 145232761 /nfs/dbraw/zinc/23/27/61/145232761.db2.gz QIQAIIRNNIQVKQ-TXEJJXNPSA-N 1 0 317.414 2.475 10 0 DEAERO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)c1ccc(Cl)s1 ZINC000261851921 145233684 /nfs/dbraw/zinc/23/36/84/145233684.db2.gz RPXFYKAJZCKQMZ-PELKAZGASA-N 1 0 302.827 2.333 10 0 DEAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC2CCCCCCC2)cn1 ZINC000261853834 145233715 /nfs/dbraw/zinc/23/37/15/145233715.db2.gz BMCWWROCUYEOFJ-SJORKVTESA-N 1 0 318.465 2.200 10 0 DEAERO Cc1nc(-c2cccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)c2)n[nH]1 ZINC000261881008 145237103 /nfs/dbraw/zinc/23/71/03/145237103.db2.gz MMZYBKKWRAOTGU-AWEZNQCLSA-N 1 0 313.405 2.497 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)Oc1ccccc1 ZINC000261900509 145239084 /nfs/dbraw/zinc/23/90/84/145239084.db2.gz HQGMWSFMLBLAHE-BZZMCLGOSA-N 1 0 304.434 2.201 10 0 DEAERO Clc1cccc(C2(CNC3=[NH+]CCCN3)CCOCC2)c1 ZINC000261907105 145240233 /nfs/dbraw/zinc/24/02/33/145240233.db2.gz XJCJPIMZFLRDMA-UHFFFAOYSA-N 1 0 307.825 2.327 10 0 DEAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC(C)(C)CC(C)(C)C)cn1 ZINC000261912232 145241141 /nfs/dbraw/zinc/24/11/41/145241141.db2.gz JERZGBOUHLQWAE-KGLIPLIRSA-N 1 0 306.454 2.054 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncnc2c1cnn2-c1ccccc1 ZINC000261916860 145241518 /nfs/dbraw/zinc/24/15/18/145241518.db2.gz RANCWMVCBQLVKJ-SWLSCSKDSA-N 1 0 308.389 2.368 10 0 DEAERO COc1cc(N)c(Cl)cc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261940375 145244706 /nfs/dbraw/zinc/24/47/06/145244706.db2.gz JHTFADMUFSUWAG-ZDUSSCGKSA-N 1 0 311.813 2.130 10 0 DEAERO [NH3+][C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F)C1CC1 ZINC000261940558 145244718 /nfs/dbraw/zinc/24/47/18/145244718.db2.gz NDSAWAJWZTVXNV-FRRDWIJNSA-N 1 0 310.344 2.245 10 0 DEAERO C1C[C@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@H]([C@H]2COCCN2)C1 ZINC000261941056 145245023 /nfs/dbraw/zinc/24/50/23/145245023.db2.gz MVLJIHTXXMZCKR-FGTMMUONSA-N 1 0 322.493 2.473 10 0 DEAERO Cc1cccc(OCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000261950001 145245773 /nfs/dbraw/zinc/24/57/73/145245773.db2.gz MWMXYTMHDIINNY-OIISXLGYSA-N 1 0 302.418 2.411 10 0 DEAERO Clc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261975756 145248922 /nfs/dbraw/zinc/24/89/22/145248922.db2.gz RCCQBNXYKJPPND-GVDBMIGSSA-N 1 0 324.852 2.466 10 0 DEAERO Cc1nc(-c2ccc(CNC(=O)[C@H](C)C3C[NH2+]C3)o2)cs1 ZINC000262027202 145254324 /nfs/dbraw/zinc/25/43/24/145254324.db2.gz DNHGOHZZLJKXPU-SECBINFHSA-N 1 0 305.403 2.183 10 0 DEAERO COc1ccc(OC)c(CN(C(=O)[C@@H](C)C2C[NH2+]C2)C2CC2)c1 ZINC000262028387 145254692 /nfs/dbraw/zinc/25/46/92/145254692.db2.gz DRAHUGFUPDKAQQ-LBPRGKRZSA-N 1 0 318.417 2.050 10 0 DEAERO CC[C@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@@H]1N1CCOCC1 ZINC000262047923 145256974 /nfs/dbraw/zinc/25/69/74/145256974.db2.gz ZGJZETSYIHOOCF-YJBOKZPZSA-N 1 0 315.461 2.197 10 0 DEAERO CCC(=O)c1ccc(OCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000262069169 145259116 /nfs/dbraw/zinc/25/91/16/145259116.db2.gz SGXHCTCLKYIRKQ-MRXNPFEDSA-N 1 0 318.417 2.244 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000262086600 145260885 /nfs/dbraw/zinc/26/08/85/145260885.db2.gz UDGKTOHALCKFRH-HNJNHCNJSA-N 1 0 315.417 2.092 10 0 DEAERO O=C(CC1CCC(c2ccccc2)CC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262092829 145261087 /nfs/dbraw/zinc/26/10/87/145261087.db2.gz DFHAKIKEDWZCKH-SYNTWQANSA-N 1 0 316.445 2.047 10 0 DEAERO Cc1ccn2c(CN3CC[NH2+]C[C@@H]3c3ccncc3)cnc2c1 ZINC000262115673 145263115 /nfs/dbraw/zinc/26/31/15/145263115.db2.gz WVWUBIDNXSSSFX-QGZVFWFLSA-N 1 0 307.401 2.184 10 0 DEAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cc(C(F)(F)F)ccc1Cl ZINC000262122081 145263568 /nfs/dbraw/zinc/26/35/68/145263568.db2.gz MJCKSHOZSBGZEH-SKDRFNHKSA-N 1 0 308.731 2.029 10 0 DEAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)nn1-c1ccccc1 ZINC000262163778 145266717 /nfs/dbraw/zinc/26/67/17/145266717.db2.gz YBUYCAVGYVDVKW-MRXNPFEDSA-N 1 0 312.417 2.380 10 0 DEAERO C[C@@H](C(=O)N1CCc2cc(Br)ccc21)C1C[NH2+]C1 ZINC000262175119 145267413 /nfs/dbraw/zinc/26/74/13/145267413.db2.gz KMNJVCLVHVKNET-SECBINFHSA-N 1 0 309.207 2.194 10 0 DEAERO C[C@H](C(=O)NC1(c2ccc(Cl)cc2)CCOCC1)C1C[NH2+]C1 ZINC000262350504 145278412 /nfs/dbraw/zinc/27/84/12/145278412.db2.gz GIQUIKYSRPHOCB-LBPRGKRZSA-N 1 0 322.836 2.317 10 0 DEAERO C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262378692 145279928 /nfs/dbraw/zinc/27/99/28/145279928.db2.gz NMMWJEFCOAEXCS-HDEZJCGLSA-N 1 0 302.418 2.363 10 0 DEAERO COc1ccc(CN(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1O ZINC000262456996 145285361 /nfs/dbraw/zinc/28/53/61/145285361.db2.gz UPQIJCXBOALMDR-KFWWJZLASA-N 1 0 318.417 2.280 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262488520 145287656 /nfs/dbraw/zinc/28/76/56/145287656.db2.gz VWSMKHJHOTWPAJ-WPUCRFQZSA-N 1 0 318.465 2.005 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC[C@@H]1[NH3+] ZINC000262509471 145288599 /nfs/dbraw/zinc/28/85/99/145288599.db2.gz MVIVEXTWMSEQCP-INIZCTEOSA-N 1 0 322.474 2.313 10 0 DEAERO C[C@@H](c1ccccc1)N(C)C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262518949 145289806 /nfs/dbraw/zinc/28/98/06/145289806.db2.gz NWQPFCDFRQAABU-HOCLYGCPSA-N 1 0 303.450 2.265 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000262534162 145290788 /nfs/dbraw/zinc/29/07/88/145290788.db2.gz MJUVDAZGQKBFIM-ULQDDVLXSA-N 1 0 302.418 2.331 10 0 DEAERO COCCOc1c(Cl)cccc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262556449 145292954 /nfs/dbraw/zinc/29/29/54/145292954.db2.gz PPKZFHDPKQRFRR-SNVBAGLBSA-N 1 0 312.797 2.159 10 0 DEAERO O=C(N1CCC[C@]2(CCCOC2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262557682 145292979 /nfs/dbraw/zinc/29/29/79/145292979.db2.gz PWWZCAAAHVTWKM-RYQLBKOJSA-N 1 0 306.450 2.185 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000262576579 145295098 /nfs/dbraw/zinc/29/50/98/145295098.db2.gz YFWFMPFYOADSFR-HOCLYGCPSA-N 1 0 321.490 2.300 10 0 DEAERO CN(Cc1ccco1)Cc1ccccc1CNC1=[NH+]CCCN1 ZINC000262660682 145298425 /nfs/dbraw/zinc/29/84/25/145298425.db2.gz LPCAGVGIGCGZAH-UHFFFAOYSA-N 1 0 312.417 2.351 10 0 DEAERO Cc1cc(-n2c(C)cc(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)c2C)no1 ZINC000262717543 145301407 /nfs/dbraw/zinc/30/14/07/145301407.db2.gz DWIGSTAPURDPJA-BONVTDFDSA-N 1 0 316.405 2.118 10 0 DEAERO COc1ccc2c(CC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)coc2c1 ZINC000262963719 145314113 /nfs/dbraw/zinc/31/41/13/145314113.db2.gz WVMHYIWCCFTFDS-WCQYABFASA-N 1 0 302.374 2.241 10 0 DEAERO CC(C)OCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309919203 145350820 /nfs/dbraw/zinc/35/08/20/145350820.db2.gz PYHQWQUJVNFFHV-KZNAEPCWSA-N 1 0 316.445 2.438 10 0 DEAERO CO[C@@H]1C[C@H](CO)N(Cc2csc(-c3ccsc3)n2)C1 ZINC000312467380 145354820 /nfs/dbraw/zinc/35/48/20/145354820.db2.gz GDXWRODQXSKJHT-CHWSQXEVSA-N 1 0 310.444 2.453 10 0 DEAERO C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CCO[C@@H]2C2CC2)([NH+](C)C)C1 ZINC000332754061 145387424 /nfs/dbraw/zinc/38/74/24/145387424.db2.gz JHLWYONQCXDFLY-VUNQQRPYSA-N 1 0 323.481 2.364 10 0 DEAERO COC(C)(C)CC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000346529172 146097630 /nfs/dbraw/zinc/09/76/30/146097630.db2.gz JSEWDGBUYDOUDW-IBGZPJMESA-N 1 0 320.477 2.370 10 0 DEAERO COC1([C@H](C)[NH2+][C@H](CO)Cc2ccc(C)cc2)CCOCC1 ZINC000453212906 292149597 /nfs/dbraw/zinc/14/95/97/292149597.db2.gz GIUJRJOMSQXSID-RDJZCZTQSA-N 1 0 307.434 2.072 10 0 DEAERO c1cn(CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)nn1 ZINC000346872352 146156338 /nfs/dbraw/zinc/15/63/38/146156338.db2.gz XZJGCQVOAWVTSD-DOTOQJQBSA-N 1 0 300.406 2.426 10 0 DEAERO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000357125306 147046851 /nfs/dbraw/zinc/04/68/51/147046851.db2.gz ZUXSDWZSTKXTTA-UONOGXRCSA-N 1 0 320.433 2.499 10 0 DEAERO CCN(CCCNC(=O)NC[C@@H](CO)C1CC1)c1ccccc1 ZINC000358478853 147141224 /nfs/dbraw/zinc/14/12/24/147141224.db2.gz NMDJWOAFOXZSIT-INIZCTEOSA-N 1 0 319.449 2.221 10 0 DEAERO COC(=O)[C@@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000358808184 147209462 /nfs/dbraw/zinc/20/94/62/147209462.db2.gz IEPJUFZWRCDCJQ-KRWDZBQOSA-N 1 0 316.445 2.365 10 0 DEAERO CC(C)[N@@H+]1CCCN(C(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000360703206 147370542 /nfs/dbraw/zinc/37/05/42/147370542.db2.gz YUAKZTNRHCEIBZ-UHFFFAOYSA-N 1 0 315.421 2.189 10 0 DEAERO O=C(COCc1ccccc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371231169 148075676 /nfs/dbraw/zinc/07/56/76/148075676.db2.gz OJONBKMXBOQPIG-IAGOWNOFSA-N 1 0 302.418 2.194 10 0 DEAERO O=C(Cn1ncc2ccccc21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000371597145 148121744 /nfs/dbraw/zinc/12/17/44/148121744.db2.gz NJDQUQDRZAFWIW-INIZCTEOSA-N 1 0 312.417 2.123 10 0 DEAERO Fc1ccc(OCC[N@@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000372203588 148180881 /nfs/dbraw/zinc/18/08/81/148180881.db2.gz GPTUFPNDPDFLDW-UHFFFAOYSA-N 1 0 309.381 2.476 10 0 DEAERO C[C@H]1CCOCC[N@@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000374991786 148314000 /nfs/dbraw/zinc/31/40/00/148314000.db2.gz ZFVLAVAPPKBXEG-ZDUSSCGKSA-N 1 0 308.447 2.134 10 0 DEAERO CC1CC[NH+](CCN2CC[C@H](c3nc(C4CC4)no3)C2)CC1 ZINC000375433054 148372831 /nfs/dbraw/zinc/37/28/31/148372831.db2.gz LBFJPCZYEXODHT-HNNXBMFYSA-N 1 0 304.438 2.468 10 0 DEAERO Cc1cnc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(O)c1 ZINC000408374342 148595821 /nfs/dbraw/zinc/59/58/21/148595821.db2.gz ORKSIZPXTCEJDG-UHFFFAOYSA-N 1 0 303.406 2.186 10 0 DEAERO CC[N@@H+](Cc1ccccc1Cl)C[C@@H](O)CN1CCCC1=O ZINC000111683352 401721030 /nfs/dbraw/zinc/72/10/30/401721030.db2.gz JBNGQQIQRSLVRT-CQSZACIVSA-N 1 0 310.825 2.145 10 0 DEAERO CC(C)CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C(C)(C)C ZINC000127132922 401721562 /nfs/dbraw/zinc/72/15/62/401721562.db2.gz YZVYENJQUSOWRT-RHSMWYFYSA-N 1 0 315.502 2.449 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000127127239 401721661 /nfs/dbraw/zinc/72/16/61/401721661.db2.gz YYDQIXDSRKXZGA-BBWFWOEESA-N 1 0 323.481 2.364 10 0 DEAERO C[C@@H]1CCC[C@@](CNC(=O)c2cnn3c2CCCC3)([NH+](C)C)C1 ZINC000127224633 401725387 /nfs/dbraw/zinc/72/53/87/401725387.db2.gz BDTPVCWMCAXMEM-RDTXWAMCSA-N 1 0 318.465 2.460 10 0 DEAERO CC1(C)NC(=[NH2+])NC(=N)N1OCc1ccc(Cl)c(Cl)c1 ZINC000000001180 401687434 /nfs/dbraw/zinc/68/74/34/401687434.db2.gz XDTNOYLBDDCJSK-UHFFFAOYSA-N 1 0 316.192 2.106 10 0 in-man DEAERO COC(=O)[C@@H](c1ccccc1F)N1CCC[N@@H+](C2CC2)CC1 ZINC000072635994 401711195 /nfs/dbraw/zinc/71/11/95/401711195.db2.gz OTNHRIZGGQMRTL-MRXNPFEDSA-N 1 0 306.381 2.210 10 0 DEAERO CN(CC(=O)NC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480906 401801638 /nfs/dbraw/zinc/80/16/38/401801638.db2.gz UWJLDCVSOFVEHG-UHFFFAOYSA-N 1 0 317.477 2.498 10 0 DEAERO Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC000077007206 401802885 /nfs/dbraw/zinc/80/28/85/401802885.db2.gz CVHHUGVHLIOKLV-DLBZAZTESA-N 1 0 319.449 2.418 10 0 DEAERO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Br)c1O ZINC000008206669 401749819 /nfs/dbraw/zinc/74/98/19/401749819.db2.gz JTDPHLIRMMKZEM-SNVBAGLBSA-N 1 0 316.195 2.432 10 0 DEAERO C[C@@H]1CC[C@H](C)CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000075285896 401756574 /nfs/dbraw/zinc/75/65/74/401756574.db2.gz QOMMKMUURGROQQ-LSDHHAIUSA-N 1 0 316.449 2.094 10 0 DEAERO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC([NH+](C)C)CC1 ZINC000128006265 401759070 /nfs/dbraw/zinc/75/90/70/401759070.db2.gz NTPZYCGOEOQNOP-LBPRGKRZSA-N 1 0 300.406 2.010 10 0 DEAERO Cc1cccc(C)c1OCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113226824 401770746 /nfs/dbraw/zinc/77/07/46/401770746.db2.gz GNACIOYMXGURHW-JKSUJKDBSA-N 1 0 302.418 2.377 10 0 DEAERO Cc1ccccc1-n1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cn1 ZINC000113227190 401771619 /nfs/dbraw/zinc/77/16/19/401771619.db2.gz XEZOJLXPZONCST-DOTOQJQBSA-N 1 0 324.428 2.489 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)c1ccc(Cl)cc1 ZINC000113228286 401771919 /nfs/dbraw/zinc/77/19/19/401771919.db2.gz HJHKSJOVUYHZJI-SMDDNHRTSA-N 1 0 306.793 2.218 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cc2)c1 ZINC000113228686 401772013 /nfs/dbraw/zinc/77/20/13/401772013.db2.gz HKUKQUPTAHLDAL-YJBOKZPZSA-N 1 0 324.428 2.489 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](CO)CC(C)(C)C ZINC000128435935 401776401 /nfs/dbraw/zinc/77/64/01/401776401.db2.gz IQMIJVCEZBNOGK-ZIAGYGMSSA-N 1 0 301.475 2.059 10 0 DEAERO Cc1cccn2c(=O)cc(C[N@@H+](C(C)C)C3CCOCC3)nc12 ZINC000077323752 401810469 /nfs/dbraw/zinc/81/04/69/401810469.db2.gz VELIDIVCNIQPKB-UHFFFAOYSA-N 1 0 315.417 2.392 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000113453252 401779379 /nfs/dbraw/zinc/77/93/79/401779379.db2.gz IVBDOUSRSMKUNE-INIZCTEOSA-N 1 0 320.481 2.109 10 0 DEAERO CN(C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000128536990 401782092 /nfs/dbraw/zinc/78/20/92/401782092.db2.gz RABJAPDQUDQPDV-CRAIPNDOSA-N 1 0 302.418 2.276 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(F)cc1F ZINC000076190813 401786208 /nfs/dbraw/zinc/78/62/08/401786208.db2.gz ZFGXPYFNWJKFJC-LLVKDONJSA-N 1 0 318.389 2.118 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(F)ccc1F ZINC000076190818 401786572 /nfs/dbraw/zinc/78/65/72/401786572.db2.gz TZYKQRKATCNMCR-LLVKDONJSA-N 1 0 318.389 2.118 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)NCC[C@@H](C)O)c1ccsc1 ZINC000114822363 401811119 /nfs/dbraw/zinc/81/11/19/401811119.db2.gz MTKRABVNRVSQAA-TZMCWYRMSA-N 1 0 313.467 2.201 10 0 DEAERO CCS(=O)(=O)CC[N@@H+]1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000076393584 401793679 /nfs/dbraw/zinc/79/36/79/401793679.db2.gz NBUJOUBZVTWNET-ZFWWWQNUSA-N 1 0 311.447 2.308 10 0 DEAERO O=C(NCc1ccccc1)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000013047772 401795826 /nfs/dbraw/zinc/79/58/26/401795826.db2.gz HCOOZEHUCYSGST-KRWDZBQOSA-N 1 0 302.418 2.194 10 0 DEAERO CN(C(=O)C[NH+]1CCC(Nc2ccccc2F)CC1)C1CC1 ZINC000128933516 401796346 /nfs/dbraw/zinc/79/63/46/401796346.db2.gz XMLDBHWNWRPLLH-UHFFFAOYSA-N 1 0 305.397 2.323 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccccc2OC)[C@H](C)C1 ZINC000076485761 401796411 /nfs/dbraw/zinc/79/64/11/401796411.db2.gz WMFKGCRRWLGUMJ-CABCVRRESA-N 1 0 320.433 2.263 10 0 DEAERO CCC(C)(C)NC(=O)CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115568264 401831968 /nfs/dbraw/zinc/83/19/68/401831968.db2.gz GEUWJBJFEDJHJF-UHFFFAOYSA-N 1 0 309.498 2.488 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cscn1 ZINC000116250674 401846839 /nfs/dbraw/zinc/84/68/39/401846839.db2.gz PQPGZNKDMMXQDK-JSGCOSHPSA-N 1 0 316.430 2.179 10 0 DEAERO CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116311013 401848306 /nfs/dbraw/zinc/84/83/06/401848306.db2.gz SBMDIERBGKFGGM-MRXNPFEDSA-N 1 0 320.481 2.350 10 0 DEAERO COC(=O)c1cc(F)ccc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116315636 401849378 /nfs/dbraw/zinc/84/93/78/401849378.db2.gz KRZQLEPVOPKQSF-LBPRGKRZSA-N 1 0 317.364 2.335 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSC2CCCC2)C1 ZINC000078442628 401851509 /nfs/dbraw/zinc/85/15/09/401851509.db2.gz ZOESVMLQDTYPCQ-AWEZNQCLSA-N 1 0 314.495 2.135 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)CC(C)(C)c2ccccc2)CCO1 ZINC000116785314 401858410 /nfs/dbraw/zinc/85/84/10/401858410.db2.gz VGRRPSFRUNFVJO-MRXNPFEDSA-N 1 0 304.434 2.143 10 0 DEAERO Cc1cc2[nH]c(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc2c(C)c1 ZINC000116784071 401858846 /nfs/dbraw/zinc/85/88/46/401858846.db2.gz GQNABUQYKMVJCV-AWEZNQCLSA-N 1 0 315.417 2.187 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCC2)CCO1 ZINC000116787859 401859134 /nfs/dbraw/zinc/85/91/34/401859134.db2.gz HKLBRYQFIIAGHL-INIZCTEOSA-N 1 0 320.408 2.036 10 0 DEAERO Cc1[nH]c2ccc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc2c1C ZINC000116788134 401859271 /nfs/dbraw/zinc/85/92/71/401859271.db2.gz RRSRHOOGDAGXOW-HNNXBMFYSA-N 1 0 315.417 2.187 10 0 DEAERO CCCCOc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116788494 401859282 /nfs/dbraw/zinc/85/92/82/401859282.db2.gz JHJWABUXVYBMJE-QGZVFWFLSA-N 1 0 320.433 2.268 10 0 DEAERO Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000132244401 401864449 /nfs/dbraw/zinc/86/44/49/401864449.db2.gz JVODIUNHMJKODF-SFHVURJKSA-N 1 0 311.429 2.222 10 0 DEAERO CC[N@H+](CCC(=O)NC(C)C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383333 401813610 /nfs/dbraw/zinc/81/36/10/401813610.db2.gz CJVVVUWXZPYBTC-UHFFFAOYSA-N 1 0 319.449 2.125 10 0 DEAERO CCn1cnnc1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000129997183 401814914 /nfs/dbraw/zinc/81/49/14/401814914.db2.gz VSHLICSEWLJNRR-ZDUSSCGKSA-N 1 0 323.441 2.035 10 0 DEAERO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)CCN1C ZINC000135123569 401927532 /nfs/dbraw/zinc/92/75/32/401927532.db2.gz RUZAHURDSDOXES-WBVHZDCISA-N 1 0 303.450 2.454 10 0 DEAERO CCC[C@H](C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)[NH+](C)C ZINC000119171508 401930762 /nfs/dbraw/zinc/93/07/62/401930762.db2.gz QXNJLLKCGOOPQN-RHSMWYFYSA-N 1 0 321.440 2.499 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(Cc3nc(C(C)(C)C)no3)CC2)CCO1 ZINC000079491327 401874025 /nfs/dbraw/zinc/87/40/25/401874025.db2.gz HXKJLWSYOMQLAG-ZDUSSCGKSA-N 1 0 322.453 2.052 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000079540476 401875638 /nfs/dbraw/zinc/87/56/38/401875638.db2.gz QGDDSZJDJNMQAS-CQSZACIVSA-N 1 0 303.406 2.179 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(C(=O)NC3CCCCC3)CC2)CCO1 ZINC000079555936 401876521 /nfs/dbraw/zinc/87/65/21/401876521.db2.gz ULRTUALOQGTLCZ-AWEZNQCLSA-N 1 0 309.454 2.214 10 0 DEAERO C[C@@H](CNC(=O)[C@@H]1CCCc2n[nH]cc21)C[NH+]1CCCCC1 ZINC000133327509 401881804 /nfs/dbraw/zinc/88/18/04/401881804.db2.gz LFWADQCSKYZKLJ-UONOGXRCSA-N 1 0 304.438 2.068 10 0 DEAERO C[NH2+][C@H]1CCCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000133326491 401882216 /nfs/dbraw/zinc/88/22/16/401882216.db2.gz AHTNCNRCYFCKDN-ZDUSSCGKSA-N 1 0 318.808 2.350 10 0 DEAERO CC(C)C[C@@H](C)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000133426495 401885857 /nfs/dbraw/zinc/88/58/57/401885857.db2.gz SDGVJPXZZLVXIL-SJORKVTESA-N 1 0 324.513 2.233 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CSc2ccccc21 ZINC000118332597 401895908 /nfs/dbraw/zinc/89/59/08/401895908.db2.gz JXHNVNBOTWQZEC-UKRRQHHQSA-N 1 0 320.458 2.103 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000081812673 401899061 /nfs/dbraw/zinc/89/90/61/401899061.db2.gz KKSLYMRDBOXBRT-OAHLLOKOSA-N 1 0 321.469 2.440 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089108228 401935887 /nfs/dbraw/zinc/93/58/87/401935887.db2.gz XVBISBAKFYKCNZ-WCQYABFASA-N 1 0 316.854 2.444 10 0 DEAERO CCC[C@H](O)C[N@H+](CCN1CCOCC1)Cc1ccccc1C ZINC000036104375 401902785 /nfs/dbraw/zinc/90/27/85/401902785.db2.gz NQGLFDSJGWASPX-IBGZPJMESA-N 1 0 320.477 2.290 10 0 DEAERO CCc1cc(C)c(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000134691942 401911049 /nfs/dbraw/zinc/91/10/49/401911049.db2.gz YNXHVBAUBKUHLK-OKILXGFUSA-N 1 0 308.422 2.380 10 0 DEAERO CC(=O)Nc1cccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000118984798 401917412 /nfs/dbraw/zinc/91/74/12/401917412.db2.gz BJCSMDJUMSYERJ-LRDDRELGSA-N 1 0 318.421 2.495 10 0 DEAERO COc1ccc(C(C)(C)C[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000089516814 401950993 /nfs/dbraw/zinc/95/09/93/401950993.db2.gz NILXEVJEUXCCLE-UHFFFAOYSA-N 1 0 305.422 2.106 10 0 DEAERO Cc1noc(C)c1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119542024 401957768 /nfs/dbraw/zinc/95/77/68/401957768.db2.gz BBYNWPCXJANTJY-SJPCQFCGSA-N 1 0 318.465 2.034 10 0 DEAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000136381147 401966891 /nfs/dbraw/zinc/96/68/91/401966891.db2.gz BGHXTLRGSHJEEH-TZMCWYRMSA-N 1 0 302.418 2.486 10 0 DEAERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCc2ccnn2C)C1 ZINC000119826032 401968301 /nfs/dbraw/zinc/96/83/01/401968301.db2.gz ATEKRFPQRKFNSF-HOTGVXAUSA-N 1 0 320.481 2.227 10 0 DEAERO CCCCCCC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000119919807 401971322 /nfs/dbraw/zinc/97/13/22/401971322.db2.gz WEHGNGXKIHNTTL-SFHVURJKSA-N 1 0 318.461 2.492 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC000137111419 401979070 /nfs/dbraw/zinc/97/90/70/401979070.db2.gz LBCIXODEBOHKAJ-IAGOWNOFSA-N 1 0 305.466 2.382 10 0 DEAERO COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000090226386 401980922 /nfs/dbraw/zinc/98/09/22/401980922.db2.gz GRIVLHZKXZPKQR-CVEARBPZSA-N 1 0 300.406 2.269 10 0 DEAERO Cc1csc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000137463756 401983521 /nfs/dbraw/zinc/98/35/21/401983521.db2.gz IRMNBUDSFFBJTR-UHFFFAOYSA-N 1 0 310.467 2.371 10 0 DEAERO CCCC(=O)N[C@H]1CCC[N@H+](CCCCn2ccnc2C)C1 ZINC000120405020 401989542 /nfs/dbraw/zinc/98/95/42/401989542.db2.gz FUZRPZHGULVKQK-INIZCTEOSA-N 1 0 306.454 2.352 10 0 DEAERO C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1ccccc1Br ZINC000150721716 401993675 /nfs/dbraw/zinc/99/36/75/401993675.db2.gz AHLLNNYFQWRKOW-ZANVPECISA-N 1 0 315.186 2.328 10 0 DEAERO Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1C ZINC000150775496 401995107 /nfs/dbraw/zinc/99/51/07/401995107.db2.gz 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402011055 /nfs/dbraw/zinc/01/10/55/402011055.db2.gz PDWUIUKDGMGKDP-HOTGVXAUSA-N 1 0 314.495 2.361 10 0 DEAERO CCC(C)(CC)NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000121035908 402011733 /nfs/dbraw/zinc/01/17/33/402011733.db2.gz YAUOYYZZASAFLR-HNNXBMFYSA-N 1 0 312.502 2.136 10 0 DEAERO COCCCNC(=O)C[N@@H+]1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000151046764 402012647 /nfs/dbraw/zinc/01/26/47/402012647.db2.gz VFHAGDNUCTUJFZ-GDBMZVCRSA-N 1 0 320.433 2.026 10 0 DEAERO CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)s1 ZINC000093665550 402018655 /nfs/dbraw/zinc/01/86/55/402018655.db2.gz QAECTSHGZAQCCA-HNNXBMFYSA-N 1 0 323.506 2.496 10 0 DEAERO C[NH+]1CCC(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000121194653 402019754 /nfs/dbraw/zinc/01/97/54/402019754.db2.gz CPEBJVOYDKLTJW-ZDUSSCGKSA-N 1 0 323.387 2.002 10 0 DEAERO C[NH2+][C@@H](CCO)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095075726 402023976 /nfs/dbraw/zinc/02/39/76/402023976.db2.gz UVCSAYNXUZTINY-INIZCTEOSA-N 1 0 306.406 2.006 10 0 DEAERO 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C[C@H]1C[C@@H](N(C)C(=O)c2cnc(C(F)(F)F)nc2)CC[N@@H+]1C ZINC000157555089 402296039 /nfs/dbraw/zinc/29/60/39/402296039.db2.gz NDTTZYQAIGFJDM-ONGXEEELSA-N 1 0 316.327 2.050 10 0 DEAERO COC(=O)c1coc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000184766738 402298183 /nfs/dbraw/zinc/29/81/83/402298183.db2.gz DLROCZIIIXTHQV-CQSZACIVSA-N 1 0 320.389 2.157 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)c1c(C)oc2ccccc21 ZINC000185113272 402325338 /nfs/dbraw/zinc/32/53/38/402325338.db2.gz WSDAFZRMWPOUGM-UHFFFAOYSA-N 1 0 304.390 2.439 10 0 DEAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000221046388 402302558 /nfs/dbraw/zinc/30/25/58/402302558.db2.gz UMNMEYWLKSFLRX-UHFFFAOYSA-N 1 0 321.421 2.178 10 0 DEAERO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](CCO)C(C)C)cc1 ZINC000176364581 402303322 /nfs/dbraw/zinc/30/33/22/402303322.db2.gz VXLAFQZVZUGPGJ-KRWDZBQOSA-N 1 0 320.433 2.061 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCOc2ccccc2)C1 ZINC000176446388 402310046 /nfs/dbraw/zinc/31/00/46/402310046.db2.gz OFENHPRBHVDZNX-WBVHZDCISA-N 1 0 319.449 2.483 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)NCCOCc2ccccc2)CC[N@@H+]1C ZINC000176443486 402310250 /nfs/dbraw/zinc/31/02/50/402310250.db2.gz JLTOWBBTBVLBSZ-DOTOQJQBSA-N 1 0 319.449 2.327 10 0 DEAERO CCc1ccc(NC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)cc1F ZINC000158714682 402311001 /nfs/dbraw/zinc/31/10/01/402311001.db2.gz RMMQEOYDRKZTQS-HNNXBMFYSA-N 1 0 323.412 2.309 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000184949753 402312028 /nfs/dbraw/zinc/31/20/28/402312028.db2.gz SNNYFJPHLWEOKD-IJLUTSLNSA-N 1 0 312.335 2.370 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C/c3cccc4cccnc34)C[C@@H]12 ZINC000184992555 402315297 /nfs/dbraw/zinc/31/52/97/402315297.db2.gz BZVHBAJPPYSNNA-YXQYUPPOSA-N 1 0 307.397 2.444 10 0 DEAERO CCC[NH+]1CCC(N(C)Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185017725 402317540 /nfs/dbraw/zinc/31/75/40/402317540.db2.gz HEPRFGZTGAMDPF-UHFFFAOYSA-N 1 0 317.437 2.381 10 0 DEAERO COc1cc[nH+]c(N2CCN(C(=O)NCC3(C)CCC3)CC2)c1 ZINC000176648809 402326360 /nfs/dbraw/zinc/32/63/60/402326360.db2.gz BNTMWJVHIOFGAV-UHFFFAOYSA-N 1 0 318.421 2.112 10 0 DEAERO CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000185055097 402320679 /nfs/dbraw/zinc/32/06/79/402320679.db2.gz CLRLGJSXHSTQPP-HUUCEWRRSA-N 1 0 302.422 2.064 10 0 DEAERO CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000185055082 402320710 /nfs/dbraw/zinc/32/07/10/402320710.db2.gz CLRLGJSXHSTQPP-LSDHHAIUSA-N 1 0 302.422 2.064 10 0 DEAERO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000185282117 402341071 /nfs/dbraw/zinc/34/10/71/402341071.db2.gz MVWLCQJAZYGAMS-ZDUSSCGKSA-N 1 0 316.380 2.303 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000185328551 402343843 /nfs/dbraw/zinc/34/38/43/402343843.db2.gz XIPTUDLZLXKTLF-OAHLLOKOSA-N 1 0 313.463 2.189 10 0 DEAERO Cc1cccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000176882726 402345691 /nfs/dbraw/zinc/34/56/91/402345691.db2.gz MQABQLGABBUNHL-HNNXBMFYSA-N 1 0 304.434 2.160 10 0 DEAERO C[C@@H]1CN(C2CC[NH+](CCN(C)c3ccccc3)CC2)CCO1 ZINC000177280039 402387295 /nfs/dbraw/zinc/38/72/95/402387295.db2.gz BJCMUPHGXDTYFI-QGZVFWFLSA-N 1 0 317.477 2.308 10 0 DEAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC[C@H]1CCOC1 ZINC000230699897 402351723 /nfs/dbraw/zinc/35/17/23/402351723.db2.gz QAYZWTGJKVNJMM-NSHDSACASA-N 1 0 317.838 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000176963858 402354930 /nfs/dbraw/zinc/35/49/30/402354930.db2.gz MQGHRRIYXBQNOH-CQSZACIVSA-N 1 0 305.422 2.390 10 0 DEAERO C[C@@H](NCC(F)(F)CO)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000231792087 402356414 /nfs/dbraw/zinc/35/64/14/402356414.db2.gz LHOOZLFCIZGDJG-VXGBXAGGSA-N 1 0 322.396 2.239 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C(=O)OC)cc1 ZINC000176995349 402357750 /nfs/dbraw/zinc/35/77/50/402357750.db2.gz QRACNOCZJNWVQD-OAHLLOKOSA-N 1 0 304.390 2.030 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCOc2ccccc21 ZINC000177003724 402358252 /nfs/dbraw/zinc/35/82/52/402358252.db2.gz INMBNWOTYLCQHK-GOEBONIOSA-N 1 0 302.418 2.495 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CSCc1ccncc1 ZINC000177021719 402360424 /nfs/dbraw/zinc/36/04/24/402360424.db2.gz KNMLQFUSKOJUPP-HNNXBMFYSA-N 1 0 307.463 2.258 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CSC[C@@H]1CCCCO1 ZINC000177033601 402361647 /nfs/dbraw/zinc/36/16/47/402361647.db2.gz DKPBRKHZHTXXSO-CABCVRRESA-N 1 0 314.495 2.231 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccnc1NC(C)C ZINC000177033668 402361853 /nfs/dbraw/zinc/36/18/53/402361853.db2.gz AJUCFDSQMVJUKL-CQSZACIVSA-N 1 0 304.438 2.458 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COCCOc1ccccc1 ZINC000177040427 402362938 /nfs/dbraw/zinc/36/29/38/402362938.db2.gz FRDVADUBNCRROD-INIZCTEOSA-N 1 0 320.433 2.025 10 0 DEAERO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000236724154 402378398 /nfs/dbraw/zinc/37/83/98/402378398.db2.gz SAYILPXTOMTZKK-RISCZKNCSA-N 1 0 311.376 2.033 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1N1CCOCC1 ZINC000177251053 402385484 /nfs/dbraw/zinc/38/54/84/402385484.db2.gz HQRCLTBFXOGQGH-KXBFYZLASA-N 1 0 300.446 2.328 10 0 DEAERO CCOc1ccccc1C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177249663 402385494 /nfs/dbraw/zinc/38/54/94/402385494.db2.gz MZDSQLKZVZMPBN-DOTOQJQBSA-N 1 0 304.434 2.238 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1N1CCOCC1 ZINC000177251039 402385665 /nfs/dbraw/zinc/38/56/65/402385665.db2.gz HQRCLTBFXOGQGH-BEFAXECRSA-N 1 0 300.446 2.328 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCc1nnc(C(C)C)o1 ZINC000176656319 402326713 /nfs/dbraw/zinc/32/67/13/402326713.db2.gz NVRCHCWJBPOSNA-ZDUSSCGKSA-N 1 0 310.442 2.218 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1cc(Br)cs1 ZINC000226394660 402327798 /nfs/dbraw/zinc/32/77/98/402327798.db2.gz SLVCSJZNWOWVSU-IONNQARKSA-N 1 0 303.225 2.440 10 0 DEAERO COC(=O)c1coc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000185139287 402327997 /nfs/dbraw/zinc/32/79/97/402327997.db2.gz FBEHVNPDBOYZQR-UHFFFAOYSA-N 1 0 308.378 2.105 10 0 DEAERO CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000185211079 402334968 /nfs/dbraw/zinc/33/49/68/402334968.db2.gz VHNSPJYQZXAABU-LSDHHAIUSA-N 1 0 302.422 2.064 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@H](OC(C)C)C1(C)C)CC2 ZINC000185240620 402337945 /nfs/dbraw/zinc/33/79/45/402337945.db2.gz KUIOZGQHQFRLQQ-RDBSUJKOSA-N 1 0 306.454 2.337 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCOc1cccc(F)c1 ZINC000177362960 402394816 /nfs/dbraw/zinc/39/48/16/402394816.db2.gz HRKLLNCTFPYQFK-OAHLLOKOSA-N 1 0 323.412 2.330 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1cccc(OC)c1 ZINC000177369323 402395331 /nfs/dbraw/zinc/39/53/31/402395331.db2.gz QRFRKEVNYDFHAB-INIZCTEOSA-N 1 0 319.449 2.363 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(C(=O)NC(C)C)cc1)[NH+](C)C ZINC000161679977 402395737 /nfs/dbraw/zinc/39/57/37/402395737.db2.gz CQZAQUGULHFVPV-HNNXBMFYSA-N 1 0 305.422 2.494 10 0 DEAERO COc1cc(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C ZINC000237291747 402402841 /nfs/dbraw/zinc/40/28/41/402402841.db2.gz PZAJLMQEYYFSQQ-XYPWUTKMSA-N 1 0 302.418 2.288 10 0 DEAERO C[C@H](CO)[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186126528 402403986 /nfs/dbraw/zinc/40/39/86/402403986.db2.gz RATFRSKYZVJPKV-QMTHXVAHSA-N 1 0 322.206 2.299 10 0 DEAERO Cc1c(C(=O)NC[C@@H](C)C[NH3+])cnn1-c1ccccc1Cl ZINC000237401494 402406935 /nfs/dbraw/zinc/40/69/35/402406935.db2.gz GSWQOFWULUVSML-JTQLQIEISA-N 1 0 306.797 2.159 10 0 DEAERO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000177513467 402411160 /nfs/dbraw/zinc/41/11/60/402411160.db2.gz JNVRRYVTVVYKAP-YVSFHVDLSA-N 1 0 306.450 2.278 10 0 DEAERO CCC[C@@H](C(=O)NC[C@@H](C)Oc1ccccc1OC)[NH+](C)C ZINC000162332547 402416660 /nfs/dbraw/zinc/41/66/60/402416660.db2.gz KCLCTFDTRKUUKZ-KGLIPLIRSA-N 1 0 308.422 2.309 10 0 DEAERO CCC[C@H](C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O)[NH+](C)C ZINC000162321819 402416717 /nfs/dbraw/zinc/41/67/17/402416717.db2.gz ARDMKEJXKMHCOV-CWRNSKLLSA-N 1 0 317.433 2.027 10 0 DEAERO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000237681664 402417595 /nfs/dbraw/zinc/41/75/95/402417595.db2.gz CPQXBPJJEWQQLL-HIFRSBDPSA-N 1 0 315.417 2.297 10 0 DEAERO CCC[C@@H](C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000162377069 402418371 /nfs/dbraw/zinc/41/83/71/402418371.db2.gz YLPNFTNTBZMAMD-LBPRGKRZSA-N 1 0 315.458 2.136 10 0 DEAERO O=C(CCC(=O)c1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237714818 402419056 /nfs/dbraw/zinc/41/90/56/402419056.db2.gz WDSGPTRYWBDLBL-YIONKMFJSA-N 1 0 304.365 2.188 10 0 DEAERO COc1cccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1O ZINC000177642971 402422925 /nfs/dbraw/zinc/42/29/25/402422925.db2.gz NXFKOUOGKGHTOY-UHFFFAOYSA-N 1 0 301.346 2.110 10 0 DEAERO O=C(NCC1=CC[NH2+]CC1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000186360113 402425189 /nfs/dbraw/zinc/42/51/89/402425189.db2.gz HZPVZXAKLWXUSK-UHFFFAOYSA-N 1 0 316.792 2.175 10 0 DEAERO [NH3+][C@@H](CC(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000237890823 402425346 /nfs/dbraw/zinc/42/53/46/402425346.db2.gz MBEQPOALTHHUBO-GJZGRUSLSA-N 1 0 312.369 2.033 10 0 DEAERO CCOc1cc(C[NH+]2CCC(C(=O)N(C)C)CC2)ccc1OC ZINC000162598697 402425398 /nfs/dbraw/zinc/42/53/98/402425398.db2.gz ITWSLBGICXILTN-UHFFFAOYSA-N 1 0 320.433 2.394 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)CSc2nccc3ccccc32)C1 ZINC000162600272 402425613 /nfs/dbraw/zinc/42/56/13/402425613.db2.gz DEEMEZUDXBEXQC-AWEZNQCLSA-N 1 0 315.442 2.489 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000237910918 402425866 /nfs/dbraw/zinc/42/58/66/402425866.db2.gz HRYQCUUFLKTCMU-ZJUUUORDSA-N 1 0 317.311 2.479 10 0 DEAERO C[C@@H]([NH2+]CC1(O)CCOCC1)c1cccc(OC(F)F)c1 ZINC000162604113 402426244 /nfs/dbraw/zinc/42/62/44/402426244.db2.gz QFSZTSIDVILOMV-LLVKDONJSA-N 1 0 301.333 2.480 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCc2cccc3c2OCO3)[C@@H](C)C1 ZINC000186374282 402426351 /nfs/dbraw/zinc/42/63/51/402426351.db2.gz XJQKSWRKWQJQQS-ZFWWWQNUSA-N 1 0 318.417 2.193 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000177709754 402428750 /nfs/dbraw/zinc/42/87/50/402428750.db2.gz BOAIQYAPXRYMEO-DOTOQJQBSA-N 1 0 303.450 2.107 10 0 DEAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000237985436 402430312 /nfs/dbraw/zinc/43/03/12/402430312.db2.gz GRDPXUFTFVLNNU-QGZVFWFLSA-N 1 0 323.396 2.071 10 0 DEAERO O=C([C@H]1CCC[NH2+]1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000238001458 402431336 /nfs/dbraw/zinc/43/13/36/402431336.db2.gz QEPCSAUUMMUORF-QGZVFWFLSA-N 1 0 313.445 2.040 10 0 DEAERO O=C(c1cc(F)cc(Cl)c1[O-])N1CCN2CCCC[C@@H]2C1 ZINC000163049299 402440087 /nfs/dbraw/zinc/44/00/87/402440087.db2.gz AEVMTPPYNIFVQX-LLVKDONJSA-N 1 0 312.772 2.495 10 0 DEAERO Cc1cc2c(cc1C)O[C@@H](C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)C2 ZINC000186549585 402441021 /nfs/dbraw/zinc/44/10/21/402441021.db2.gz SSJROVSPVHPQRV-CRAIPNDOSA-N 1 0 314.429 2.350 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000163127200 402442221 /nfs/dbraw/zinc/44/22/21/402442221.db2.gz BOYVIRLOTCBGOW-STQMWFEESA-N 1 0 317.216 2.189 10 0 DEAERO Cc1nccn1CCCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000163130068 402442497 /nfs/dbraw/zinc/44/24/97/402442497.db2.gz ODIUAMHEVXAQQP-UHFFFAOYSA-N 1 0 314.437 2.338 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2Cc3ccccc3C2)C1 ZINC000186622922 402448307 /nfs/dbraw/zinc/44/83/07/402448307.db2.gz PIJDWWNAYFFZTR-DYVFJYSZSA-N 1 0 301.434 2.182 10 0 DEAERO CC[C@H](C[N@H+](CC)C[C@H](O)CN1CCCC1=O)c1ccccc1 ZINC000186620080 402448322 /nfs/dbraw/zinc/44/83/22/402448322.db2.gz ZOLAHNYJYQUBMR-AEFFLSMTSA-N 1 0 318.461 2.485 10 0 DEAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000245402510 402456722 /nfs/dbraw/zinc/45/67/22/402456722.db2.gz IHKDOMDCSSWEDV-LJISPDSOSA-N 1 0 310.438 2.049 10 0 DEAERO CSc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)ccc1F ZINC000163785718 402457662 /nfs/dbraw/zinc/45/76/62/402457662.db2.gz LDDYDPJESWNAEC-ZDUSSCGKSA-N 1 0 324.421 2.094 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC000245431828 402460256 /nfs/dbraw/zinc/46/02/56/402460256.db2.gz 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ULOSHCAPXLCTFE-CQSZACIVSA-N 1 0 309.385 2.118 10 0 DEAERO CO[C@H](C)CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000190407746 402598635 /nfs/dbraw/zinc/59/86/35/402598635.db2.gz XXXVGZXLSCWGHE-NVXWUHKLSA-N 1 0 319.449 2.375 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3cc[nH]c3c2)C[C@@H]1C ZINC000248648729 402601537 /nfs/dbraw/zinc/60/15/37/402601537.db2.gz KAGFFDBWVZPKGJ-STQMWFEESA-N 1 0 316.405 2.087 10 0 DEAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2csnn2)C1 ZINC000190468451 402603650 /nfs/dbraw/zinc/60/36/50/402603650.db2.gz URNSRIBZJXYHIE-GFCCVEGCSA-N 1 0 323.491 2.257 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000248695775 402604032 /nfs/dbraw/zinc/60/40/32/402604032.db2.gz CELYBNWXCHOYCH-CHWSQXEVSA-N 1 0 307.442 2.488 10 0 DEAERO CCc1ccccc1NC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171640439 402605090 /nfs/dbraw/zinc/60/50/90/402605090.db2.gz CJQYGLCHHPZPTL-GDBMZVCRSA-N 1 0 301.434 2.356 10 0 DEAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2cncs2)C1 ZINC000190488598 402605401 /nfs/dbraw/zinc/60/54/01/402605401.db2.gz NLELJTMFBQHGDJ-OAHLLOKOSA-N 1 0 302.447 2.492 10 0 DEAERO CCOCC[N@@H+]1CCN(c2nccnc2OC(C)C)C[C@H]1CC ZINC000180029222 402605811 /nfs/dbraw/zinc/60/58/11/402605811.db2.gz ATJOBCFUMRIFOS-OAHLLOKOSA-N 1 0 322.453 2.201 10 0 DEAERO COc1cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)ccc1O ZINC000180075797 402607152 /nfs/dbraw/zinc/60/71/52/402607152.db2.gz UDIDSEHFGDEEAN-INIZCTEOSA-N 1 0 320.433 2.088 10 0 DEAERO C[C@H]1C[N@H+](CCC(=O)N2CCc3sccc3C2)CCS1 ZINC000171688090 402610174 /nfs/dbraw/zinc/61/01/74/402610174.db2.gz JIVSDKZQOAOQFP-LBPRGKRZSA-N 1 0 310.488 2.460 10 0 DEAERO CCCn1nc(C)c(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000180224842 402610247 /nfs/dbraw/zinc/61/02/47/402610247.db2.gz XKAIBTCDGKHAIF-KBXCAEBGSA-N 1 0 320.481 2.062 10 0 DEAERO C[C@H]1OCCC[C@@H]1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000190701238 402619389 /nfs/dbraw/zinc/61/93/89/402619389.db2.gz GABQBQMKBZGCSG-ZBFHGGJFSA-N 1 0 320.433 2.058 10 0 DEAERO CCCC[C@@H](COC)[NH2+]C[C@H]1CCCN1c1cc(NC)ncn1 ZINC000180571216 402620400 /nfs/dbraw/zinc/62/04/00/402620400.db2.gz CKTUSESZYHWELL-LSDHHAIUSA-N 1 0 321.469 2.282 10 0 DEAERO CCc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CC)ccc1C ZINC000180598320 402620634 /nfs/dbraw/zinc/62/06/34/402620634.db2.gz LGRWLSHMRNKKMM-INIZCTEOSA-N 1 0 317.433 2.096 10 0 DEAERO Cc1cc(C)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249107907 402620652 /nfs/dbraw/zinc/62/06/52/402620652.db2.gz AEKJYGVIOXBOPD-HOCLYGCPSA-N 1 0 317.433 2.183 10 0 DEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000249138383 402621951 /nfs/dbraw/zinc/62/19/51/402621951.db2.gz VDHWLQGDVLTKQC-PBHICJAKSA-N 1 0 306.454 2.345 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000180636735 402622249 /nfs/dbraw/zinc/62/22/49/402622249.db2.gz LQJXCWCDELLZMY-DGCLKSJQSA-N 1 0 302.426 2.109 10 0 DEAERO CCc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249218340 402623487 /nfs/dbraw/zinc/62/34/87/402623487.db2.gz UBCMZBQFAKSPMN-BBRMVZONSA-N 1 0 317.433 2.129 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)Nc2cnns2)ccc1F ZINC000190796186 402623930 /nfs/dbraw/zinc/62/39/30/402623930.db2.gz VKLONZQCGDIKSE-UHFFFAOYSA-N 1 0 309.370 2.061 10 0 DEAERO O=C(NCCOc1cccc(Cl)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171902509 402632474 /nfs/dbraw/zinc/63/24/74/402632474.db2.gz YINGEXHETYQCAI-AWEZNQCLSA-N 1 0 323.824 2.208 10 0 DEAERO Cc1cccc(CNC(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1 ZINC000249600499 402636330 /nfs/dbraw/zinc/63/63/30/402636330.db2.gz YAOUZNVINIJVRE-CRAIPNDOSA-N 1 0 304.434 2.094 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000249635462 402637590 /nfs/dbraw/zinc/63/75/90/402637590.db2.gz RXKPUXGJDSXTSA-QSPRXWTASA-N 1 0 302.418 2.363 10 0 DEAERO COc1cccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)n1 ZINC000190947464 402632951 /nfs/dbraw/zinc/63/29/51/402632951.db2.gz HIXIZABZBFKSCD-UHFFFAOYSA-N 1 0 309.410 2.483 10 0 DEAERO CCOC(=O)N[C@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000249723050 402638889 /nfs/dbraw/zinc/63/88/89/402638889.db2.gz CQAINOUJVZXEQV-DOTOQJQBSA-N 1 0 306.406 2.105 10 0 DEAERO CC[C@H](CC(=O)N1CCN(CCO)[C@@H](C)C1)c1ccccc1 ZINC000249967874 402643997 /nfs/dbraw/zinc/64/39/97/402643997.db2.gz KDUMGAHGPGMESU-JKSUJKDBSA-N 1 0 304.434 2.095 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)c2cccs2)C1 ZINC000172189250 402644538 /nfs/dbraw/zinc/64/45/38/402644538.db2.gz OOSVOHIGBKNRKH-CQSZACIVSA-N 1 0 324.490 2.499 10 0 DEAERO CC(C)[C@@H](CNC(=O)N[C@@H](C)C1CCCC1)[NH+]1CCN(C)CC1 ZINC000172221590 402645795 /nfs/dbraw/zinc/64/57/95/402645795.db2.gz VGOYJMNWPPWQBR-DOTOQJQBSA-N 1 0 324.513 2.136 10 0 DEAERO CC(C)(C)OC(=O)CCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000181885583 402659790 /nfs/dbraw/zinc/65/97/90/402659790.db2.gz MMMUDSSQGUDMRV-CQSZACIVSA-N 1 0 308.426 2.112 10 0 DEAERO Cc1c([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cnn1C(C)(C)C ZINC000191202928 402650560 /nfs/dbraw/zinc/65/05/60/402650560.db2.gz ZTOLGECSZLSKEW-ZBFHGGJFSA-N 1 0 322.497 2.444 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347010 402651755 /nfs/dbraw/zinc/65/17/55/402651755.db2.gz IMQQMMIBOUNQCR-ZDUSSCGKSA-N 1 0 305.397 2.323 10 0 DEAERO CCc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc(=O)[nH]1 ZINC000181715577 402655169 /nfs/dbraw/zinc/65/51/69/402655169.db2.gz HADROBFWBWIUPO-MRXNPFEDSA-N 1 0 317.433 2.028 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000191285953 402657435 /nfs/dbraw/zinc/65/74/35/402657435.db2.gz QJWIGPLBNUGTGG-GHMZBOCLSA-N 1 0 321.808 2.082 10 0 DEAERO c1cc([C@@H]2CCC[N@H+]2CCCN2CCOCC2)cc2c1OCO2 ZINC000173642011 402706181 /nfs/dbraw/zinc/70/61/81/402706181.db2.gz NRJZCYIHNGULKJ-INIZCTEOSA-N 1 0 318.417 2.275 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192027203 402706572 /nfs/dbraw/zinc/70/65/72/402706572.db2.gz LOMKUCDRMGTYJP-AEFFLSMTSA-N 1 0 306.450 2.150 10 0 DEAERO C[N@H+](Cc1ccc(CO)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000182749311 402713513 /nfs/dbraw/zinc/71/35/13/402713513.db2.gz CLCWQDITJRSXDZ-KRWDZBQOSA-N 1 0 312.417 2.070 10 0 DEAERO [NH3+]CCN1CCC[C@H]1c1ccccc1I ZINC000261562803 402713835 /nfs/dbraw/zinc/71/38/35/402713835.db2.gz BOZKFIMOUMOLAS-LBPRGKRZSA-N 1 0 316.186 2.387 10 0 DEAERO CC1(C)CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC[C@H]1[NH3+] ZINC000261802442 402717726 /nfs/dbraw/zinc/71/77/26/402717726.db2.gz IXVXUBUIKJJROV-UONOGXRCSA-N 1 0 308.809 2.229 10 0 DEAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)NCCC1CCCCC1 ZINC000172540056 402661374 /nfs/dbraw/zinc/66/13/74/402661374.db2.gz CXMPONNTLCDOBW-UHFFFAOYSA-N 1 0 307.482 2.243 10 0 DEAERO COC(=O)c1ccc(F)c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000181946444 402661470 /nfs/dbraw/zinc/66/14/70/402661470.db2.gz FJFWCTBALXNVML-ZDUSSCGKSA-N 1 0 317.364 2.335 10 0 DEAERO CC(C)c1nnc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1C ZINC000253623463 402670182 /nfs/dbraw/zinc/67/01/82/402670182.db2.gz VNLYSICDSSFNHP-KFWWJZLASA-N 1 0 306.454 2.454 10 0 DEAERO CS[C@@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000172742712 402672864 /nfs/dbraw/zinc/67/28/64/402672864.db2.gz VCDZXELSUPMLFB-HZPDHXFCSA-N 1 0 320.458 2.024 10 0 DEAERO C[C@@H]1COCCN1CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000191519326 402675142 /nfs/dbraw/zinc/67/51/42/402675142.db2.gz VTEKTHSYECSPHC-QRQLOZEOSA-N 1 0 318.461 2.295 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@H]1CCc2ccccc21 ZINC000261943395 402719890 /nfs/dbraw/zinc/71/98/90/402719890.db2.gz VBSRCXMVMSTWHT-YIOZNXECSA-N 1 0 314.429 2.323 10 0 DEAERO C[C@@H](CNC(=O)c1cnn(CCC(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000182384111 402685798 /nfs/dbraw/zinc/68/57/98/402685798.db2.gz PVQAJOJHUSJAJB-JTQLQIEISA-N 1 0 318.343 2.048 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\Sc2ccccc2)C[C@H]1C ZINC000255386889 402685908 /nfs/dbraw/zinc/68/59/08/402685908.db2.gz OELFOCJAMUDHCZ-DLTMEVEPSA-N 1 0 320.458 2.206 10 0 DEAERO COc1ccc([C@@H](CCO)NCc2nnc(C(C)C)n2C)cc1 ZINC000182407652 402686942 /nfs/dbraw/zinc/68/69/42/402686942.db2.gz QGNXCDYWTXEJLF-OAHLLOKOSA-N 1 0 318.421 2.160 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CC(C)(C)CC(=O)OC)[C@H](C)C1 ZINC000182416436 402688279 /nfs/dbraw/zinc/68/82/79/402688279.db2.gz JOTAVQBRTSGBNJ-KGLIPLIRSA-N 1 0 312.454 2.155 10 0 DEAERO O=C(NCCc1c[nH]c2ccccc12)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173296044 402691206 /nfs/dbraw/zinc/69/12/06/402691206.db2.gz WSVCIHMNXHGZQL-INIZCTEOSA-N 1 0 324.428 2.366 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000173380331 402695173 /nfs/dbraw/zinc/69/51/73/402695173.db2.gz YHMIJXXQSIPDPN-ZBFHGGJFSA-N 1 0 322.449 2.465 10 0 DEAERO Cc1csc([C@H]2CCCN(C(=O)NC3CC[NH+](C)CC3)C2)n1 ZINC000173389877 402695392 /nfs/dbraw/zinc/69/53/92/402695392.db2.gz AFMBUQWXFQDPIT-ZDUSSCGKSA-N 1 0 322.478 2.435 10 0 DEAERO COC(=O)[C@@H](C)CN(C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000173539530 402702153 /nfs/dbraw/zinc/70/21/53/402702153.db2.gz SZIKBXUSFRBCHP-LBPRGKRZSA-N 1 0 305.353 2.252 10 0 DEAERO Cc1ccc(N2CC[C@H]([NH2+][C@@H](CO)c3ccccc3)C2=O)cc1 ZINC000182895445 402725236 /nfs/dbraw/zinc/72/52/36/402725236.db2.gz HQIIVABBDSHHLS-ROUUACIJSA-N 1 0 310.397 2.424 10 0 DEAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000182897178 402725309 /nfs/dbraw/zinc/72/53/09/402725309.db2.gz VDXGWHGNHBYZMV-MAUKXSAKSA-N 1 0 312.413 2.357 10 0 DEAERO C[C@H]1C[C@H](NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C[C@@H](C)C1 ZINC000262505526 402726716 /nfs/dbraw/zinc/72/67/16/402726716.db2.gz MJPZHEXSLXUCCA-OXAFQIDNSA-N 1 0 308.466 2.460 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)[C@@H]1C ZINC000262534890 402726868 /nfs/dbraw/zinc/72/68/68/402726868.db2.gz QFDVHGYPMUONGC-MQUBADLTSA-N 1 0 308.466 2.460 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(C)n2)C1 ZINC000174149829 402728997 /nfs/dbraw/zinc/72/89/97/402728997.db2.gz LAOKPSCCVOHKNM-OAHLLOKOSA-N 1 0 304.438 2.263 10 0 DEAERO C[C@H](C(=O)N1CCCC[C@@H]1c1nc[nH]n1)[C@@H]([NH3+])c1ccccc1 ZINC000183003026 402732201 /nfs/dbraw/zinc/73/22/01/402732201.db2.gz YFYSXOINBMRISR-NWANDNLSSA-N 1 0 313.405 2.194 10 0 DEAERO C[C@@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1cccc(O)c1 ZINC000262812357 402733448 /nfs/dbraw/zinc/73/34/48/402733448.db2.gz QIJKVBGFSKVCGX-OCCSQVGLSA-N 1 0 314.389 2.004 10 0 DEAERO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)[C@@H]1CCCO1 ZINC000183114533 402739895 /nfs/dbraw/zinc/73/98/95/402739895.db2.gz MTHKOMXLSMRGMF-OWQGQXMQSA-N 1 0 302.418 2.411 10 0 DEAERO CCC[N@H+](CC)CCNCc1ccc2c(c1)sc(=O)n2C ZINC000192609369 402739937 /nfs/dbraw/zinc/73/99/37/402739937.db2.gz NOBFMOKXNVXNQT-UHFFFAOYSA-N 1 0 307.463 2.422 10 0 DEAERO CC(C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183143739 402742907 /nfs/dbraw/zinc/74/29/07/402742907.db2.gz XNXLOJTVXLMKPQ-GJZGRUSLSA-N 1 0 303.406 2.309 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000174527248 402745214 /nfs/dbraw/zinc/74/52/14/402745214.db2.gz BVUQGZAQZXJXDB-WBVHZDCISA-N 1 0 324.513 2.375 10 0 DEAERO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000183215938 402747888 /nfs/dbraw/zinc/74/78/88/402747888.db2.gz WGHSAGDXMPHRRL-LLVKDONJSA-N 1 0 321.421 2.076 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000174658148 402750616 /nfs/dbraw/zinc/75/06/16/402750616.db2.gz PDUWLKDRDBVHIJ-UHFFFAOYSA-N 1 0 321.450 2.005 10 0 DEAERO O=C1Cc2ccccc2N1CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194014809 402781485 /nfs/dbraw/zinc/78/14/85/402781485.db2.gz DICIXOCNRBKVIU-FHLIZLRMSA-N 1 0 312.413 2.123 10 0 DEAERO Cc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)nc2ccccc12 ZINC000263286113 402754248 /nfs/dbraw/zinc/75/42/48/402754248.db2.gz UZRGDDYRBWAERZ-OAHLLOKOSA-N 1 0 309.373 2.169 10 0 DEAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)CC2 ZINC000183319625 402756030 /nfs/dbraw/zinc/75/60/30/402756030.db2.gz WLGQGGNWZMEARP-ZFWWWQNUSA-N 1 0 314.437 2.191 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2OC)[C@H](C)C1 ZINC000174776811 402757032 /nfs/dbraw/zinc/75/70/32/402757032.db2.gz PLJPXVFHZFIVPO-GDBMZVCRSA-N 1 0 319.449 2.296 10 0 DEAERO CCc1nc(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)cs1 ZINC000174796231 402757943 /nfs/dbraw/zinc/75/79/43/402757943.db2.gz OJFJGQYFPUTVEE-KBPBESRZSA-N 1 0 322.478 2.474 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NCC[NH+]2CCCCC2)c1 ZINC000174966839 402767153 /nfs/dbraw/zinc/76/71/53/402767153.db2.gz OFCBQLDNZSXHAC-UHFFFAOYSA-N 1 0 318.421 2.277 10 0 DEAERO COc1ncc(C)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000174983980 402769006 /nfs/dbraw/zinc/76/90/06/402769006.db2.gz QZLQEEYMIXPMIS-AWEZNQCLSA-N 1 0 318.421 2.491 10 0 DEAERO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@H](C)[NH3+])CC1 ZINC000193311909 402770532 /nfs/dbraw/zinc/77/05/32/402770532.db2.gz DUJXDXNASYFUDA-LSDHHAIUSA-N 1 0 303.450 2.456 10 0 DEAERO CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000193415193 402770798 /nfs/dbraw/zinc/77/07/98/402770798.db2.gz AFOPAZWEKMJYQP-HEHGZKQESA-N 1 0 310.463 2.476 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1ccc(C)cc1 ZINC000175055801 402775491 /nfs/dbraw/zinc/77/54/91/402775491.db2.gz LSBWIKOSUXXHMX-QZTJIDSGSA-N 1 0 315.461 2.170 10 0 DEAERO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cccc2ncccc21 ZINC000262295910 402724148 /nfs/dbraw/zinc/72/41/48/402724148.db2.gz NVJBPUZQOYJKQE-MRXNPFEDSA-N 1 0 321.446 2.277 10 0 DEAERO O=C(CCCOc1cccc(F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195336644 402842463 /nfs/dbraw/zinc/84/24/63/402842463.db2.gz ABTKKSZMISXPMR-OAHLLOKOSA-N 1 0 306.381 2.291 10 0 DEAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)NC(=O)NC(C)(C)C ZINC000194516333 402800796 /nfs/dbraw/zinc/80/07/96/402800796.db2.gz XPSJKGMQSQQNKO-LLVKDONJSA-N 1 0 318.421 2.057 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(NC(=O)C(C)C)cc2)C1 ZINC000194656419 402808141 /nfs/dbraw/zinc/80/81/41/402808141.db2.gz SGVAJZMRUVKVHJ-MRXNPFEDSA-N 1 0 317.433 2.495 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000194676062 402809996 /nfs/dbraw/zinc/80/99/96/402809996.db2.gz YGESPAHMCHODJY-APHBMKBZSA-N 1 0 306.454 2.298 10 0 DEAERO CN(C)c1cccc(CN(C)C(=O)c2c[nH+]ccc2N(C)C)c1 ZINC000183990743 402810933 /nfs/dbraw/zinc/81/09/33/402810933.db2.gz CDMWXKOBHXDCQR-UHFFFAOYSA-N 1 0 312.417 2.486 10 0 DEAERO Cc1oc(-c2cccs2)nc1CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194712673 402811591 /nfs/dbraw/zinc/81/15/91/402811591.db2.gz VRQCIHPNDCNLOG-LBPRGKRZSA-N 1 0 319.430 2.464 10 0 DEAERO Cn1nnc2ccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc21 ZINC000184014447 402812204 /nfs/dbraw/zinc/81/22/04/402812204.db2.gz KXVMWRAAFYRCMS-OAHLLOKOSA-N 1 0 317.437 2.065 10 0 DEAERO C[C@@H](CNc1ncnc2cc(Cl)ccc21)N1CC[NH+](C)CC1 ZINC000263911469 402819206 /nfs/dbraw/zinc/81/92/06/402819206.db2.gz JYXMHPIHCKVWLK-LBPRGKRZSA-N 1 0 319.840 2.331 10 0 DEAERO COc1cccc([C@@H](C)[NH+]2CCC(N3CCNC3=O)CC2)c1 ZINC000175587285 402819466 /nfs/dbraw/zinc/81/94/66/402819466.db2.gz BKLVZWUMGSNJAS-CYBMUJFWSA-N 1 0 303.406 2.246 10 0 DEAERO CCC[C@H](C(=O)Nc1nc2c(cccc2OC)n1C)[NH+](C)C ZINC000184148637 402822809 /nfs/dbraw/zinc/82/28/09/402822809.db2.gz WYCNVEDTLIWHHT-GFCCVEGCSA-N 1 0 304.394 2.251 10 0 DEAERO Cn1c2ccc(C[N@H+](C)C[C@H]3CCCOC3)cc2sc1=O ZINC000195008816 402826332 /nfs/dbraw/zinc/82/63/32/402826332.db2.gz RXYLXLRYAMQONS-CYBMUJFWSA-N 1 0 306.431 2.458 10 0 DEAERO COC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000175742577 402828489 /nfs/dbraw/zinc/82/84/89/402828489.db2.gz AUHWZAKUUYQNSA-MCIONIFRSA-N 1 0 309.410 2.091 10 0 DEAERO O=C(c1cc(F)cc2nc[nH]c21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195051396 402828788 /nfs/dbraw/zinc/82/87/88/402828788.db2.gz KXKJTCCWWPUTKQ-GFCCVEGCSA-N 1 0 302.353 2.012 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000175773780 402831025 /nfs/dbraw/zinc/83/10/25/402831025.db2.gz OQEHQWSTWHEKFK-GDBMZVCRSA-N 1 0 321.469 2.096 10 0 DEAERO CCOc1ccc(CC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000195094369 402831231 /nfs/dbraw/zinc/83/12/31/402831231.db2.gz IJLPXGNUHRFHPB-MRXNPFEDSA-N 1 0 302.418 2.325 10 0 DEAERO CCC[C@H](C(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1)[NH+](C)C ZINC000184283654 402832630 /nfs/dbraw/zinc/83/26/30/402832630.db2.gz DNUDAGWIHZYYLC-LSDHHAIUSA-N 1 0 312.454 2.297 10 0 DEAERO CC(C)(C)OCc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)no1 ZINC000184278192 402832646 /nfs/dbraw/zinc/83/26/46/402832646.db2.gz RTSZXYSQTTVJDF-UHFFFAOYSA-N 1 0 321.421 2.300 10 0 DEAERO C[C@H](NC(=O)[C@H](C)N1CCC([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000194111902 402784488 /nfs/dbraw/zinc/78/44/88/402784488.db2.gz DOBXNAMLZFIAPP-KBPBESRZSA-N 1 0 321.440 2.417 10 0 DEAERO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@H](C(=O)NC)C(C)C)cc1 ZINC000183663592 402786521 /nfs/dbraw/zinc/78/65/21/402786521.db2.gz VFVABLREGXZSQR-DYVFJYSZSA-N 1 0 319.449 2.499 10 0 DEAERO C[C@@H](C(=O)N1CCC[C@H]1c1cnn(C)c1)[NH+]1CCCCCC1 ZINC000176000491 402847231 /nfs/dbraw/zinc/84/72/31/402847231.db2.gz KHKXUTSPUROVSJ-HOCLYGCPSA-N 1 0 304.438 2.348 10 0 DEAERO CC(C)N(C(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)C(C)C ZINC000195515672 402848636 /nfs/dbraw/zinc/84/86/36/402848636.db2.gz CPFZRFHXDZLEKP-INIZCTEOSA-N 1 0 318.465 2.461 10 0 DEAERO O=C(N[C@@H]1CCc2c1cccc2O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000266161538 402966811 /nfs/dbraw/zinc/96/68/11/402966811.db2.gz ZWFLDMYTIVREHS-XJKSGUPXSA-N 1 0 315.417 2.259 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1occc1Br ZINC000268155130 403055350 /nfs/dbraw/zinc/05/53/50/403055350.db2.gz PJOMZOPMUYRMTJ-VIFPVBQESA-N 1 0 301.184 2.208 10 0 DEAERO CC(=O)N(C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000276339556 403165621 /nfs/dbraw/zinc/16/56/21/403165621.db2.gz HBVVFFODJDKDDQ-ROUUACIJSA-N 1 0 320.408 2.334 10 0 DEAERO C[N@H+](Cc1ccccn1)[C@H]1CCCN(Cc2csnn2)CC1 ZINC000275862202 403129235 /nfs/dbraw/zinc/12/92/35/403129235.db2.gz XOWQMXMEULCBRZ-INIZCTEOSA-N 1 0 317.462 2.420 10 0 DEAERO Cc1nc2cccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2[nH]1 ZINC000283824724 403226301 /nfs/dbraw/zinc/22/63/01/403226301.db2.gz FMVHJQXYOAHWLN-DGCLKSJQSA-N 1 0 300.406 2.426 10 0 DEAERO O[C@H](C[NH2+]Cc1c(Cl)cccc1Cl)Cn1cccn1 ZINC000566791960 292268171 /nfs/dbraw/zinc/26/81/71/292268171.db2.gz HGHYCAHVTQZIQN-SNVBAGLBSA-N 1 0 300.189 2.341 10 0 DEAERO O=C1CN(Cc2cccc3c2OCCCO3)[C@@H]2CCCC[C@H]2N1 ZINC000271191808 403276238 /nfs/dbraw/zinc/27/62/38/403276238.db2.gz MNXIIXXUWBQJNK-HUUCEWRRSA-N 1 0 316.401 2.091 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000278046411 403282373 /nfs/dbraw/zinc/28/23/73/403282373.db2.gz XURUPXNGVSGSIL-WQGACYEGSA-N 1 0 304.390 2.231 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000300218464 403582700 /nfs/dbraw/zinc/58/27/00/403582700.db2.gz UAUVLVRXHLUHHT-BBZRCZKMSA-N 1 0 322.449 2.255 10 0 DEAERO CC[C@@H](NC(=O)N1CCC2(CC[NH2+]C2)CC1)c1ccncc1 ZINC000333139870 403675875 /nfs/dbraw/zinc/67/58/75/403675875.db2.gz CVYQPBLVJGEQEJ-OAHLLOKOSA-N 1 0 302.422 2.318 10 0 DEAERO Cc1ccc(N2CCC[C@H]([NH2+][C@H]3[C@@H]4CCO[C@@H]4C3(C)C)C2)nn1 ZINC000333324666 403725386 /nfs/dbraw/zinc/72/53/86/403725386.db2.gz QAOQSRUTWBGAQD-OTRWWLKZSA-N 1 0 316.449 2.157 10 0 DEAERO NC(=O)C1CCC([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000302872309 403738139 /nfs/dbraw/zinc/73/81/39/403738139.db2.gz LJOPWQYJLGYDEM-ABHNRTSZSA-N 1 0 315.461 2.285 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@H+](C)CCc1ccc(Br)cc1 ZINC000347739189 403836163 /nfs/dbraw/zinc/83/61/63/403836163.db2.gz PIYYAVWNKJGGFH-AWEZNQCLSA-N 1 0 314.223 2.263 10 0 DEAERO CC(=O)[C@](C)(O)CN(C)Cc1cc(Br)ccc1F ZINC000347728907 403830769 /nfs/dbraw/zinc/83/07/69/403830769.db2.gz BBVPZUXWLCURBU-CYBMUJFWSA-N 1 0 318.186 2.360 10 0 DEAERO COc1ccc(C)cc1[C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333603015 403790304 /nfs/dbraw/zinc/79/03/04/403790304.db2.gz PSQGSRHSWLEIMU-GUTXKFCHSA-N 1 0 303.406 2.068 10 0 DEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000333781696 403859727 /nfs/dbraw/zinc/85/97/27/403859727.db2.gz DVAJFQDBEFKPOA-ARFHVFGLSA-N 1 0 323.481 2.365 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccco2)C12CCOCC2 ZINC000186556960 286396492 /nfs/dbraw/zinc/39/64/92/286396492.db2.gz 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/nfs/dbraw/zinc/59/68/79/405596879.db2.gz HHKWVPSFLGHAKY-QGZVFWFLSA-N 1 0 302.418 2.173 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)CSc2ccc(F)c(F)c2)C[NH2+]1 ZINC000638657710 405599749 /nfs/dbraw/zinc/59/97/49/405599749.db2.gz NAXJHAJNDZYPOV-VHSXEESVSA-N 1 0 300.374 2.314 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NCC[C@@H]1CCc2ccccc21 ZINC000458922006 405655251 /nfs/dbraw/zinc/65/52/51/405655251.db2.gz NLJZKFDONYCWPF-INIZCTEOSA-N 1 0 324.428 2.335 10 0 DEAERO COc1cc(C)c(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000449703841 405700693 /nfs/dbraw/zinc/70/06/93/405700693.db2.gz GSSGKQCHHLKWCG-HNNXBMFYSA-N 1 0 306.406 2.130 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000457163076 405731245 /nfs/dbraw/zinc/73/12/45/405731245.db2.gz GHNZGFZVHFMLRQ-UHFFFAOYSA-N 1 0 317.433 2.274 10 0 DEAERO CC(=O)c1ccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000636098644 405738368 /nfs/dbraw/zinc/73/83/68/405738368.db2.gz WELWEPINHQVXNU-OKILXGFUSA-N 1 0 304.365 2.385 10 0 DEAERO C[C@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000638884066 405739465 /nfs/dbraw/zinc/73/94/65/405739465.db2.gz FGPNAKRZBBTPJP-VHSXEESVSA-N 1 0 317.216 2.425 10 0 DEAERO C[C@@H]1CN(C(=O)c2sccc2Br)C[C@@H]1C[NH3+] ZINC000638885610 405740938 /nfs/dbraw/zinc/74/09/38/405740938.db2.gz CWOJWHFQWIXWLG-SFYZADRCSA-N 1 0 303.225 2.177 10 0 DEAERO Cc1nn(C)cc1CC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000450107109 405743161 /nfs/dbraw/zinc/74/31/61/405743161.db2.gz VXQKRWGAFUTULG-UHFFFAOYSA-N 1 0 300.406 2.280 10 0 DEAERO C[N@H+](CCCCNC(=O)c1cc(-c2cccnc2)on1)C1CC1 ZINC000457203245 405749975 /nfs/dbraw/zinc/74/99/75/405749975.db2.gz NSXGFZLFRIDJTG-UHFFFAOYSA-N 1 0 314.389 2.341 10 0 DEAERO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000408456201 286620639 /nfs/dbraw/zinc/62/06/39/286620639.db2.gz GTKSBSWOHUMZAV-JHJVBQTASA-N 1 0 324.437 2.262 10 0 DEAERO COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2cncn2C)cc1 ZINC000583615576 405775212 /nfs/dbraw/zinc/77/52/12/405775212.db2.gz MGQURCSLMMMTBD-MSOLQXFVSA-N 1 0 315.417 2.301 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000457382974 405820842 /nfs/dbraw/zinc/82/08/42/405820842.db2.gz DUBLNXDRGORICY-UHFFFAOYSA-N 1 0 318.417 2.384 10 0 DEAERO CCn1nncc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000459416346 405894122 /nfs/dbraw/zinc/89/41/22/405894122.db2.gz XGURSVTVEQOMIF-YJBOKZPZSA-N 1 0 313.449 2.298 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000457661045 405940451 /nfs/dbraw/zinc/94/04/51/405940451.db2.gz MGIVOCWIKNLQPL-UHFFFAOYSA-N 1 0 306.406 2.194 10 0 DEAERO COCC1(C[NH2+]Cc2snc(OC)c2Br)CC1 ZINC000639299295 406029965 /nfs/dbraw/zinc/02/99/65/406029965.db2.gz KGNNCGZGRVSUDW-UHFFFAOYSA-N 1 0 321.240 2.430 10 0 DEAERO CC(C)c1nnc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)s1 ZINC000450596223 405971747 /nfs/dbraw/zinc/97/17/47/405971747.db2.gz FUAQDRQUSITTIU-BFHYXJOUSA-N 1 0 324.494 2.345 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H]1CCNC(=O)CC1)CC2 ZINC000450626487 405974741 /nfs/dbraw/zinc/97/47/41/405974741.db2.gz VKUXDWNRECZBFG-HNNXBMFYSA-N 1 0 314.429 2.206 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H](O)C2CCC2)c1Br ZINC000639239937 405996394 /nfs/dbraw/zinc/99/63/94/405996394.db2.gz IIMPZTOBHLUODV-MRVPVSSYSA-N 1 0 321.240 2.165 10 0 DEAERO COc1ccc(OC)c(C[NH2+]C[C@@H](CO)Cc2ccco2)c1 ZINC000532675240 406092866 /nfs/dbraw/zinc/09/28/66/406092866.db2.gz CFTYVMCJLJFIPQ-ZDUSSCGKSA-N 1 0 305.374 2.238 10 0 DEAERO c1c(C[N@@H+]2CCC[C@@H](C3CCC3)C2)nnn1C[C@H]1CCOC1 ZINC000639328340 406048556 /nfs/dbraw/zinc/04/85/56/406048556.db2.gz HFSGAWCYQXTHMI-GDBMZVCRSA-N 1 0 304.438 2.327 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc3c2OCCC3)C1 ZINC000532133480 406049571 /nfs/dbraw/zinc/04/95/71/406049571.db2.gz WNBNAGXKMSZLDH-ZDUSSCGKSA-N 1 0 303.406 2.475 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](CCCSCC(C)C)CC12COC2 ZINC000451128622 406058300 /nfs/dbraw/zinc/05/83/00/406058300.db2.gz BXZQEMXNFMZHIY-CQSZACIVSA-N 1 0 315.479 2.277 10 0 DEAERO c1nc2n(n1)[C@@H](C[N@@H+]1CCC[C@@H]1c1ccc3c(c1)OCO3)CC2 ZINC000639474000 406105553 /nfs/dbraw/zinc/10/55/53/406105553.db2.gz QVKILVXEUOGHGC-ZIAGYGMSSA-N 1 0 312.373 2.331 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](COC)Cc1ccccc1 ZINC000471696714 406110153 /nfs/dbraw/zinc/11/01/53/406110153.db2.gz JJLYFOCVPICICW-SJORKVTESA-N 1 0 304.434 2.235 10 0 DEAERO c1nc2n(n1)[C@@H](C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1)CC2 ZINC000639527044 406130087 /nfs/dbraw/zinc/13/00/87/406130087.db2.gz MTFVDKFGFCUGRL-IAGOWNOFSA-N 1 0 312.417 2.099 10 0 DEAERO O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)NC[C@@H]1Cc2ccccc2O1 ZINC000476589712 406150574 /nfs/dbraw/zinc/15/05/74/406150574.db2.gz WDLNTTAHXNHHGI-ULQDDVLXSA-N 1 0 314.429 2.228 10 0 DEAERO C[C@@H]1CCC[N@H+](CCNCc2c(Br)cnn2C)C1 ZINC000486972441 406195282 /nfs/dbraw/zinc/19/52/82/406195282.db2.gz PMRAFNUSKFTMEN-LLVKDONJSA-N 1 0 315.259 2.004 10 0 DEAERO O=C(Cc1ccc(F)cc1Cl)NCCNc1cc[nH+]cc1 ZINC000487238257 406219044 /nfs/dbraw/zinc/21/90/44/406219044.db2.gz HCXNRMXUFJXRHH-UHFFFAOYSA-N 1 0 307.756 2.067 10 0 DEAERO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1c(Br)cnn1C ZINC000487302732 406222311 /nfs/dbraw/zinc/22/23/11/406222311.db2.gz RFJQCTQAPDGNFK-NXEZZACHSA-N 1 0 304.232 2.069 10 0 DEAERO COC(C)(C)C[C@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000487311854 406222586 /nfs/dbraw/zinc/22/25/86/406222586.db2.gz QKAMPZNKXZNSME-VIFPVBQESA-N 1 0 304.232 2.476 10 0 DEAERO COc1cccc(CO[C@H](C)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000569326283 406238034 /nfs/dbraw/zinc/23/80/34/406238034.db2.gz PDPGYMFSPYZMDP-CQSZACIVSA-N 1 0 308.422 2.010 10 0 DEAERO OCC[C@H]1CSCC[N@@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000535825486 406240758 /nfs/dbraw/zinc/24/07/58/406240758.db2.gz BBNSDILEEAICTA-LBPRGKRZSA-N 1 0 309.460 2.438 10 0 DEAERO CC(C)[C@H](O)C1(C[NH2+]Cc2c(Br)cnn2C)CC1 ZINC000487572785 406248273 /nfs/dbraw/zinc/24/82/73/406248273.db2.gz MFELCFCVRGACOV-LBPRGKRZSA-N 1 0 316.243 2.069 10 0 DEAERO O=C(c1ncccc1Br)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632862320 406296323 /nfs/dbraw/zinc/29/63/23/406296323.db2.gz AWHBXEAIBSQZLD-JQWIXIFHSA-N 1 0 324.222 2.058 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)CC2 ZINC000570377719 406384974 /nfs/dbraw/zinc/38/49/74/406384974.db2.gz RKIPFLLZOLNBPL-ZIAGYGMSSA-N 1 0 318.465 2.096 10 0 DEAERO c1nc([C@@H]2CCCN(CC34CC(C3)C[NH2+]4)C2)n2c1CCCC2 ZINC000634994914 406390660 /nfs/dbraw/zinc/39/06/60/406390660.db2.gz POWSKKMEIXRQCH-SWKXRBFHSA-N 1 0 300.450 2.151 10 0 DEAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000635001200 406394189 /nfs/dbraw/zinc/39/41/89/406394189.db2.gz KDWKGRDXQTZAHZ-ATGSNQNLSA-N 1 0 307.235 2.429 10 0 DEAERO COc1cccc2c1CC[N@H+](CCC(=O)N1CCC[C@H]1C)CC2 ZINC000489491606 406411897 /nfs/dbraw/zinc/41/18/97/406411897.db2.gz XYRJCXGJEBYREK-OAHLLOKOSA-N 1 0 316.445 2.497 10 0 DEAERO C[N@H+](CCC(=O)NCc1nnc2ccccn21)C1CCCCC1 ZINC000546722662 406377819 /nfs/dbraw/zinc/37/78/19/406377819.db2.gz AAZSACCANHTLKE-UHFFFAOYSA-N 1 0 315.421 2.000 10 0 DEAERO [NH3+][C@@H]1CC=C(C(=O)NCc2cc(F)ccc2Br)C1 ZINC000637908549 406472157 /nfs/dbraw/zinc/47/21/57/406472157.db2.gz HAGSAEWOIBEXPV-LLVKDONJSA-N 1 0 313.170 2.252 10 0 DEAERO c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000637879285 406459153 /nfs/dbraw/zinc/45/91/53/406459153.db2.gz OPVSTOHYVMIFEY-HUUCEWRRSA-N 1 0 300.406 2.478 10 0 DEAERO CO[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000526074212 406541148 /nfs/dbraw/zinc/54/11/48/406541148.db2.gz NGHBIYHYXDWLJG-KGLIPLIRSA-N 1 0 315.373 2.463 10 0 DEAERO CC(C)[C@H]1CCCCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638001149 406517754 /nfs/dbraw/zinc/51/77/54/406517754.db2.gz OXSKPSRMIGVPCT-ZWKOTPCHSA-N 1 0 317.477 2.483 10 0 DEAERO OCC[C@@H]1CSCC[N@@H+]1Cc1c[nH]nc1-c1ccsc1 ZINC000571981577 406589637 /nfs/dbraw/zinc/58/96/37/406589637.db2.gz MUCUJZOCLPHQGI-CYBMUJFWSA-N 1 0 309.460 2.438 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1-c1cn[nH]c1 ZINC000635565087 406593158 /nfs/dbraw/zinc/59/31/58/406593158.db2.gz MSIQSOFIRUYPBG-UKRRQHHQSA-N 1 0 310.401 2.385 10 0 DEAERO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638313474 406692717 /nfs/dbraw/zinc/69/27/17/406692717.db2.gz XAMDBVYSNYQFMP-DJIMGWMZSA-N 1 0 303.450 2.235 10 0 DEAERO c1ncn(-c2ccc(C[NH2+]C[C@@H]3CCN3C3CCCC3)cc2)n1 ZINC000527809059 406759383 /nfs/dbraw/zinc/75/93/83/406759383.db2.gz SEHLZXKZMOCYEG-SFHVURJKSA-N 1 0 311.433 2.374 10 0 DEAERO Brc1ccc(-n2cc(C[NH2+]CC3COC3)cn2)cc1 ZINC000527817464 406762549 /nfs/dbraw/zinc/76/25/49/406762549.db2.gz MSLUDZGCTWJTMP-UHFFFAOYSA-N 1 0 322.206 2.371 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC(C)(C1CC1)C1CC1 ZINC000638423668 406765002 /nfs/dbraw/zinc/76/50/02/406765002.db2.gz CJTNTOOGYFOLKK-KRWDZBQOSA-N 1 0 315.461 2.141 10 0 DEAERO c1ccc(N2CCN(CCC[NH2+]CCC[C@H]3CCO3)CC2)cc1 ZINC000638337860 406709090 /nfs/dbraw/zinc/70/90/90/406709090.db2.gz ZURWLVAISNTZIB-IBGZPJMESA-N 1 0 317.477 2.357 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H]2CCOC2)c1Br ZINC000638360855 406724784 /nfs/dbraw/zinc/72/47/84/406724784.db2.gz JGRAYARHOMOOAB-ZETCQYMHSA-N 1 0 307.213 2.040 10 0 DEAERO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N(C)C ZINC000554581575 406814969 /nfs/dbraw/zinc/81/49/69/406814969.db2.gz RQNWKSMKMCMYRH-DDBAPUKQSA-N 1 0 315.461 2.248 10 0 DEAERO [NH3+]CC1(C(=O)NCc2cccc(Cl)c2Cl)CCOCC1 ZINC000647921413 407074844 /nfs/dbraw/zinc/07/48/44/407074844.db2.gz GDBHWGNHXRTYMS-UHFFFAOYSA-N 1 0 317.216 2.365 10 0 DEAERO C[C@H]([NH3+])c1cc(Br)ccc1N1CCn2cnnc2C1 ZINC000128929801 196004751 /nfs/dbraw/zinc/00/47/51/196004751.db2.gz NEAZWJXTFXDWHH-VIFPVBQESA-N 1 0 322.210 2.081 10 0 DEAERO CC(C)([NH3+])[C@@H](O)c1ncc(Br)cc1Br ZINC000129101082 196019021 /nfs/dbraw/zinc/01/90/21/196019021.db2.gz GXLLHFDAUAYKRV-QMMMGPOBSA-N 1 0 324.016 2.377 10 0 DEAERO CSc1nc(Cl)cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000129524510 196055134 /nfs/dbraw/zinc/05/51/34/196055134.db2.gz WDHUYEOJSCDXCH-ZJUUUORDSA-N 1 0 314.842 2.127 10 0 DEAERO Cc1cscc1[C@@H](NN)c1c(Cl)cnn1CC[NH+](C)C ZINC000129556210 196056809 /nfs/dbraw/zinc/05/68/09/196056809.db2.gz JZKRHARHEYXBFZ-GFCCVEGCSA-N 1 0 313.858 2.021 10 0 DEAERO CC(C)(C(=O)N1CCC[C@H]1c1cccs1)N1CC[NH2+]CC1 ZINC000129645324 196064797 /nfs/dbraw/zinc/06/47/97/196064797.db2.gz JGKVVHMTJYDADK-ZDUSSCGKSA-N 1 0 307.463 2.095 10 0 DEAERO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(O)c(Br)c1 ZINC000129657992 196065821 /nfs/dbraw/zinc/06/58/21/196065821.db2.gz RUTJKXGGLQHUMR-NWDGAFQWSA-N 1 0 300.196 2.404 10 0 DEAERO N[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccs1 ZINC000130522515 196087808 /nfs/dbraw/zinc/08/78/08/196087808.db2.gz NFTXVFXLDXUYIW-OAHLLOKOSA-N 1 0 307.463 2.082 10 0 DEAERO [NH3+]CCc1ccc(S(=O)(=O)NCCCCC(F)(F)F)cc1 ZINC000130552854 196090646 /nfs/dbraw/zinc/09/06/46/196090646.db2.gz PJPTVDUNKSZJSX-UHFFFAOYSA-N 1 0 324.368 2.199 10 0 DEAERO C[C@H]1CCCC[C@]1(C[NH3+])NC(=O)c1cc(Br)c[nH]1 ZINC000130627567 196096899 /nfs/dbraw/zinc/09/68/99/196096899.db2.gz LVYHUXQOSUGVSW-TVQRCGJNSA-N 1 0 314.227 2.415 10 0 DEAERO CC(C)C[NH2+]Cc1cn(C[C@@H](O)CO)c2cc(Cl)ccc12 ZINC000130722378 196104350 /nfs/dbraw/zinc/10/43/50/196104350.db2.gz HGGOUVRMCHKLJB-CQSZACIVSA-N 1 0 310.825 2.394 10 0 DEAERO C[C@@H](CN1C(=O)C2(CC2)N[C@@H]1c1cccs1)[NH+]1CCCC1 ZINC000130797466 196111099 /nfs/dbraw/zinc/11/10/99/196111099.db2.gz NLPYNHQJTCLXPL-JSGCOSHPSA-N 1 0 305.447 2.195 10 0 DEAERO [NH3+]C1CCN([C@@H]2CCN(c3ncc(Cl)cc3Cl)C2)CC1 ZINC000130869346 196117515 /nfs/dbraw/zinc/11/75/15/196117515.db2.gz KPYOAMAVWMZQQK-GFCCVEGCSA-N 1 0 315.248 2.390 10 0 DEAERO CC[NH2+][C@]1(CO)CCC[C@H](Sc2nc(CC)ns2)C1 ZINC000131006207 196131852 /nfs/dbraw/zinc/13/18/52/196131852.db2.gz MQYBJUPDMAASRQ-GXFFZTMASA-N 1 0 301.481 2.476 10 0 DEAERO CC[NH2+][C@@H](c1cccc2c1OCCC2)C(C)(C)S(C)(=O)=O ZINC000131030551 196133611 /nfs/dbraw/zinc/13/36/11/196133611.db2.gz NTLDOARRTPGWSF-HNNXBMFYSA-N 1 0 311.447 2.485 10 0 DEAERO COCc1csc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000131134177 196142187 /nfs/dbraw/zinc/14/21/87/196142187.db2.gz YFLIZEUIQQNVJF-SNVBAGLBSA-N 1 0 314.455 2.387 10 0 DEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@H](C)CCSC)c1 ZINC000131238334 196152025 /nfs/dbraw/zinc/15/20/25/196152025.db2.gz VLUHEMLVCHHFLY-VXGBXAGGSA-N 1 0 316.492 2.387 10 0 DEAERO CCc1nsc(S[C@H]2CC3(CC[C@H]2[NH2+]C)OCCO3)n1 ZINC000131243452 196152781 /nfs/dbraw/zinc/15/27/81/196152781.db2.gz XIUWYNBZYSTDEP-ZJUUUORDSA-N 1 0 315.464 2.076 10 0 DEAERO CCc1nsc(S[C@@H]2CC3(CC[C@H]2[NH2+]C)OCCO3)n1 ZINC000131243268 196153029 /nfs/dbraw/zinc/15/30/29/196153029.db2.gz XIUWYNBZYSTDEP-NXEZZACHSA-N 1 0 315.464 2.076 10 0 DEAERO O[C@@H](C[C@@H]1COCC[NH2+]1)c1cc(Br)ccc1F ZINC000131404528 196165782 /nfs/dbraw/zinc/16/57/82/196165782.db2.gz LYCDOAMPDLBIBE-SKDRFNHKSA-N 1 0 304.159 2.000 10 0 DEAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000131391950 196164152 /nfs/dbraw/zinc/16/41/52/196164152.db2.gz WNEOMPVQZGRQNB-STQMWFEESA-N 1 0 321.421 2.216 10 0 DEAERO Nc1[nH+]c2cc(Br)c(F)cc2n1[C@@H]1CCOC1 ZINC000131661159 196189004 /nfs/dbraw/zinc/18/90/04/196189004.db2.gz JRDGXYUFDFVCLK-ZCFIWIBFSA-N 1 0 300.131 2.482 10 0 DEAERO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(Br)o1 ZINC000131663579 196189145 /nfs/dbraw/zinc/18/91/45/196189145.db2.gz PZTGBGIZJQEFLF-QMMMGPOBSA-N 1 0 310.213 2.127 10 0 DEAERO COc1ccc(O)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000131858869 196204356 /nfs/dbraw/zinc/20/43/56/196204356.db2.gz SGYWWFAXAAIQFQ-YHWZYXNKSA-N 1 0 304.390 2.146 10 0 DEAERO Cc1cc(Br)c(-n2cc(C[NH3+])nn2)cc1Cl ZINC000131934938 196211636 /nfs/dbraw/zinc/21/16/36/196211636.db2.gz WSRRSUDFOJZEPT-UHFFFAOYSA-N 1 0 301.575 2.450 10 0 DEAERO COC[C@H](C)[C@H](C[NH3+])N(C)Cc1cccc(Br)c1 ZINC000131958352 196213542 /nfs/dbraw/zinc/21/35/42/196213542.db2.gz FHNWKSMDWXJNEI-FZMZJTMJSA-N 1 0 315.255 2.491 10 0 DEAERO C[C@@H](O)C[NH2+]CCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000132182506 196233502 /nfs/dbraw/zinc/23/35/02/196233502.db2.gz RNMPUUOJHUEDQT-MRVPVSSYSA-N 1 0 306.193 2.085 10 0 DEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCN3CCCCC3)C2)n1 ZINC000132291518 196242787 /nfs/dbraw/zinc/24/27/87/196242787.db2.gz SQDOYOBGPHVQEB-QGZVFWFLSA-N 1 0 305.470 2.093 10 0 DEAERO CCOC(C)(C)[C@@H](Cc1c(Br)c(C)nn1C)[NH2+]C ZINC000132303684 196243043 /nfs/dbraw/zinc/24/30/43/196243043.db2.gz XRZZAGBQYVFRPZ-LLVKDONJSA-N 1 0 318.259 2.437 10 0 DEAERO Cc1ccc([C@@H]2NCC(=O)N2CC2([NH+](C)C)CCCC2)s1 ZINC000132444790 196256521 /nfs/dbraw/zinc/25/65/21/196256521.db2.gz NMUUFVNHSMFDSJ-OAHLLOKOSA-N 1 0 307.463 2.361 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H](COCc2ccc(F)c(Br)c2)O1 ZINC000132448221 196257184 /nfs/dbraw/zinc/25/71/84/196257184.db2.gz CHWNLSVEDMSCJH-MWLCHTKSSA-N 1 0 318.186 2.482 10 0 DEAERO CCn1ncc(Br)c1[C@@]1(O)CCC[N@H+](CC)CC1 ZINC000132499519 196260510 /nfs/dbraw/zinc/26/05/10/196260510.db2.gz DDOAESNWFSXRSL-CYBMUJFWSA-N 1 0 316.243 2.359 10 0 DEAERO COC[C@H](C)[C@H]1C[NH+]=C(N)N1c1cccc(Br)c1 ZINC000132497524 196260794 /nfs/dbraw/zinc/26/07/94/196260794.db2.gz RBTHWJIVIDYMBT-JOYOIKCWSA-N 1 0 312.211 2.235 10 0 DEAERO COC[C@@H](C)[C@H]1C[NH+]=C(N)N1c1ccc(Br)cc1 ZINC000132496828 196260895 /nfs/dbraw/zinc/26/08/95/196260895.db2.gz RUOHOYZPHLSHSF-BXKDBHETSA-N 1 0 312.211 2.235 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CSCCS1 ZINC000132579164 196267000 /nfs/dbraw/zinc/26/70/00/196267000.db2.gz LFSOKGOTPKXAIM-GJZGRUSLSA-N 1 0 324.515 2.124 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H](COCc2cc(F)cc(Br)c2)O1 ZINC000132629829 196272697 /nfs/dbraw/zinc/27/26/97/196272697.db2.gz VXSWGZZTVHCZNO-RNCFNFMXSA-N 1 0 318.186 2.482 10 0 DEAERO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCc2n[nH]cc21 ZINC000132637987 196272738 /nfs/dbraw/zinc/27/27/38/196272738.db2.gz JSGNFUZMTYCPLT-MRXNPFEDSA-N 1 0 324.428 2.004 10 0 DEAERO C[C@H]1SCCN(C(=O)c2cccn2C2CC[NH2+]CC2)[C@H]1C ZINC000132638275 196272972 /nfs/dbraw/zinc/27/29/72/196272972.db2.gz OWYYZSUFFVCUJR-QWHCGFSZSA-N 1 0 307.463 2.379 10 0 DEAERO COCc1cc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)ccc1OC ZINC000133006340 196304318 /nfs/dbraw/zinc/30/43/18/196304318.db2.gz BHMYRYKSUQLSKQ-IUODEOHRSA-N 1 0 306.406 2.113 10 0 DEAERO C[NH2+][C@@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000133072536 196309056 /nfs/dbraw/zinc/30/90/56/196309056.db2.gz YFOASTVOLMIALI-HIFRSBDPSA-N 1 0 302.484 2.216 10 0 DEAERO COc1cc(C)cc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000133081963 196310268 /nfs/dbraw/zinc/31/02/68/196310268.db2.gz SNMIFUZKZBMSTI-GOEBONIOSA-N 1 0 317.433 2.382 10 0 DEAERO CC[C@@H](C)c1nc(N(C)CCOC)sc1C[NH2+]CCOC ZINC000133138285 196314845 /nfs/dbraw/zinc/31/48/45/196314845.db2.gz KBNCKEZAVRHAGR-GFCCVEGCSA-N 1 0 315.483 2.475 10 0 DEAERO CC[C@@H](CSC)NS(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000133237547 196323675 /nfs/dbraw/zinc/32/36/75/196323675.db2.gz RPFJBBXTCRJYIU-YPMHNXCESA-N 1 0 316.492 2.387 10 0 DEAERO [NH3+]Cc1ccccc1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000133245454 196324552 /nfs/dbraw/zinc/32/45/52/196324552.db2.gz QJXLNMXPLQQNGR-CYBMUJFWSA-N 1 0 300.324 2.489 10 0 DEAERO C[C@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000133253433 196325050 /nfs/dbraw/zinc/32/50/50/196325050.db2.gz VQOKPIVYTRYUPO-GUYCJALGSA-N 1 0 320.408 2.474 10 0 DEAERO C[S@](=O)CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000133789048 196335281 /nfs/dbraw/zinc/33/52/81/196335281.db2.gz FZNLYBSYMCUOGT-MLGOLLRUSA-N 1 0 302.237 2.405 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)CCCOC)c1cc(C)cc(C)c1 ZINC000133969009 196350270 /nfs/dbraw/zinc/35/02/70/196350270.db2.gz VOZNXADOMJINAM-INIZCTEOSA-N 1 0 313.463 2.405 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)s1 ZINC000134006314 196353104 /nfs/dbraw/zinc/35/31/04/196353104.db2.gz NWZUXJJMRHIBCW-RISCZKNCSA-N 1 0 316.492 2.496 10 0 DEAERO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cc(Br)ccc1N(C)C ZINC000134097136 196361135 /nfs/dbraw/zinc/36/11/35/196361135.db2.gz AOCUUPSSJDPQHN-IUCAKERBSA-N 1 0 314.227 2.437 10 0 DEAERO CCCn1ncc(NCC[NH+]2CCC(C)CC2)c(Cl)c1=O ZINC000134187753 196369714 /nfs/dbraw/zinc/36/97/14/196369714.db2.gz PRBPDBHSQXLOTR-UHFFFAOYSA-N 1 0 312.845 2.451 10 0 DEAERO CCC[C@@H](O)C[NH2+]Cc1c(Br)c(CC)nn1CC ZINC000134404805 196387651 /nfs/dbraw/zinc/38/76/51/196387651.db2.gz YUOWMAFUMNZURH-SNVBAGLBSA-N 1 0 318.259 2.479 10 0 DEAERO COC(=O)c1cc(Cl)ccc1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134490394 196396654 /nfs/dbraw/zinc/39/66/54/196396654.db2.gz PZRAZPGTMPLREL-JTQLQIEISA-N 1 0 310.781 2.455 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])C[C@H]2CCCCO2)c1Br ZINC000134514807 196397632 /nfs/dbraw/zinc/39/76/32/196397632.db2.gz QALVUZUKKAHVQI-GHMZBOCLSA-N 1 0 316.243 2.320 10 0 DEAERO CC(C)(C)C[C@H]([NH3+])CC(=O)Nc1cnc(Br)cn1 ZINC000134876656 196425720 /nfs/dbraw/zinc/42/57/20/196425720.db2.gz ARGLDYUUZVRASV-MRVPVSSYSA-N 1 0 315.215 2.331 10 0 DEAERO CCO[C@H](C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000135758412 196502918 /nfs/dbraw/zinc/50/29/18/196502918.db2.gz FQJZLXFGYDDEPV-OLZOCXBDSA-N 1 0 314.451 2.013 10 0 DEAERO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000444787712 287293951 /nfs/dbraw/zinc/29/39/51/287293951.db2.gz YOFUTTBWGWBWLQ-KGLIPLIRSA-N 1 0 307.438 2.409 10 0 DEAERO C[C@@H]1CC[C@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)O1 ZINC000151011319 196616657 /nfs/dbraw/zinc/61/66/57/196616657.db2.gz XWDWHNXDCBXTOK-IUODEOHRSA-N 1 0 319.405 2.083 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)NCCC[NH+]1CCCCC1 ZINC000186844695 224967606 /nfs/dbraw/zinc/96/76/06/224967606.db2.gz NHIJEMGMJRVRGJ-CQSZACIVSA-N 1 0 320.437 2.326 10 0 DEAERO C[NH+](C)CCN(C(=O)NC[C@@H]1CCC(C)(C)O1)C1CCCC1 ZINC000188225231 225014857 /nfs/dbraw/zinc/01/48/57/225014857.db2.gz ZARMQIQANWTFPD-HNNXBMFYSA-N 1 0 311.470 2.460 10 0 DEAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCOCC[C@H]2C)C1 ZINC000361029676 287347325 /nfs/dbraw/zinc/34/73/25/287347325.db2.gz KKRVUBUZOOWQQD-HZPDHXFCSA-N 1 0 311.470 2.319 10 0 DEAERO CCc1oc2ccccc2c1C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000190250983 225080322 /nfs/dbraw/zinc/08/03/22/225080322.db2.gz ULAPTOPPOYRFOK-CQSZACIVSA-N 1 0 302.418 2.494 10 0 DEAERO Cn1nccc1C[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000191107281 225104384 /nfs/dbraw/zinc/10/43/84/225104384.db2.gz PFSAWVPBXZHUKK-UHFFFAOYSA-N 1 0 304.825 2.221 10 0 DEAERO OC[C@]1(c2ccccc2)CC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000291348153 222329483 /nfs/dbraw/zinc/32/94/83/222329483.db2.gz WVTRTRGJEQBWEX-IBGZPJMESA-N 1 0 307.397 2.470 10 0 DEAERO Cc1cc(F)ccc1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000299743307 229380814 /nfs/dbraw/zinc/38/08/14/229380814.db2.gz NDOZYMNKLXTQJX-CHWSQXEVSA-N 1 0 318.314 2.191 10 0 DEAERO Cc1noc(CCC[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)n1 ZINC000299753881 229398071 /nfs/dbraw/zinc/39/80/71/229398071.db2.gz ZQPKDDKSWGWRML-AWEZNQCLSA-N 1 0 315.421 2.333 10 0 DEAERO CNC(=O)c1cc(NC(=O)C2CCC([NH3+])CC2)ccc1Cl ZINC000037767884 424808484 /nfs/dbraw/zinc/80/84/84/424808484.db2.gz YKRMCBQXPFUWBP-UHFFFAOYSA-N 1 0 309.797 2.156 10 0 DEAERO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1O)COCc1ccc(Cl)cc1 ZINC000052014020 424837168 /nfs/dbraw/zinc/83/71/68/424837168.db2.gz SSNWBHNDXBTWSP-OAGGEKHMSA-N 1 0 313.825 2.111 10 0 DEAERO Fc1ccc(OCCn2cc(C[NH2+]C3CC3)nn2)c(Cl)c1 ZINC000052645883 424837285 /nfs/dbraw/zinc/83/72/85/424837285.db2.gz QRGKHYAYRVCFRR-UHFFFAOYSA-N 1 0 310.760 2.402 10 0 DEAERO Fc1ccccc1OCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105882901 424849441 /nfs/dbraw/zinc/84/94/41/424849441.db2.gz VUEDXJOHMMXTMP-CQSZACIVSA-N 1 0 304.369 2.208 10 0 DEAERO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886187 424849677 /nfs/dbraw/zinc/84/96/77/424849677.db2.gz PWBNEHXTLKHYDU-WBVHZDCISA-N 1 0 318.465 2.290 10 0 DEAERO CC[N@@H+]1CCC[C@@H](Nc2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000193717231 424870302 /nfs/dbraw/zinc/87/03/02/424870302.db2.gz ZERAJQBGQAEGCW-SECBINFHSA-N 1 0 314.315 2.039 10 0 DEAERO C[NH+](C)Cc1cccc(NC(=O)N2CCN(C3CC3)CC2)c1 ZINC000195260406 424881210 /nfs/dbraw/zinc/88/12/10/424881210.db2.gz HMUFCLPXGPHUJN-UHFFFAOYSA-N 1 0 302.422 2.060 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)c1n[nH]c2c1CCCC2)c1ccccc1 ZINC000126741680 424856111 /nfs/dbraw/zinc/85/61/11/424856111.db2.gz LWIZGNQSWPUYJK-INIZCTEOSA-N 1 0 312.417 2.321 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CN(CCOc2c(Cl)cccc2Cl)CCO1 ZINC000128548589 424856601 /nfs/dbraw/zinc/85/66/01/424856601.db2.gz SQUKNWUOGRVBPH-GWCFXTLKSA-N 1 0 319.232 2.420 10 0 DEAERO c1cc2c(cc1CN1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000387028394 424912624 /nfs/dbraw/zinc/91/26/24/424912624.db2.gz FAKPXAQLDKFVQP-CVEARBPZSA-N 1 0 302.418 2.422 10 0 DEAERO CN(C(=O)c1ncccc1N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388656893 424914745 /nfs/dbraw/zinc/91/47/45/424914745.db2.gz SIZSBIPTKJQJBU-MRXNPFEDSA-N 1 0 324.428 2.400 10 0 DEAERO COc1cc2c(cc1F)ncnc2NCC12CCC[NH+]1CCC2 ZINC000333460947 424921653 /nfs/dbraw/zinc/92/16/53/424921653.db2.gz PNVUNFYXCLHHEH-UHFFFAOYSA-N 1 0 316.380 2.818 10 0 DEAERO O=C(NCC[NH+]1CCCCC1)c1nscc1Br ZINC000404880151 424929621 /nfs/dbraw/zinc/92/96/21/424929621.db2.gz ZOMAOERYXQDABE-UHFFFAOYSA-N 1 0 318.240 2.121 10 0 DEAERO CCO[C@@H]1CN(C(=O)c2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000405846207 424931903 /nfs/dbraw/zinc/93/19/03/424931903.db2.gz HSMAYOIIHSCLGJ-NOZJJQNGSA-N 1 0 317.216 2.429 10 0 DEAERO C[N@@H+]1CC[C@@H](CNc2noc(C(C)(C)C)n2)[C@@H]1c1cccnc1 ZINC000377993224 424904270 /nfs/dbraw/zinc/90/42/70/424904270.db2.gz TZRGEADLFIPNDW-KBPBESRZSA-N 1 0 315.421 2.867 10 0 DEAERO O=C(Nc1nc(C2CC2)cs1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653072375 425395729 /nfs/dbraw/zinc/39/57/29/425395729.db2.gz PHWBPRLAIDKGKK-HTQZYQBOSA-N 1 0 305.325 2.357 10 0 DEAERO [NH3+]C1(C(=O)NCc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000659358787 425583856 /nfs/dbraw/zinc/58/38/56/425583856.db2.gz LHZFLRGNWFLFCB-UHFFFAOYSA-N 1 0 303.189 2.118 10 0 DEAERO COC(=O)CC1(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CCCC1 ZINC000189322073 267690718 /nfs/dbraw/zinc/69/07/18/267690718.db2.gz JZIGBIXYTMIYRR-CABCVRRESA-N 1 0 324.465 2.441 10 0 DEAERO CN(C(=O)[C@@H]1Cc2ccccc2S1)[C@H](C[NH3+])C(F)(F)F ZINC000662979242 425770077 /nfs/dbraw/zinc/77/00/77/425770077.db2.gz UUBXHFWZWKBDED-WDEREUQCSA-N 1 0 304.337 2.051 10 0 DEAERO CN(C(=O)COc1cccc(Cl)c1)[C@H](C[NH3+])C(F)(F)F ZINC000662979135 425770606 /nfs/dbraw/zinc/77/06/06/425770606.db2.gz SUUVZHXAOLMNPS-SNVBAGLBSA-N 1 0 310.703 2.067 10 0 DEAERO CN(C(=O)c1occc1Br)[C@H](C[NH3+])C(F)(F)F ZINC000662982637 425771238 /nfs/dbraw/zinc/77/12/38/425771238.db2.gz JHNULZMPBSKLCG-ZCFIWIBFSA-N 1 0 315.089 2.004 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000194648570 268554070 /nfs/dbraw/zinc/55/40/70/268554070.db2.gz MKYHOXDIEZDRCW-MRXNPFEDSA-N 1 0 312.417 2.015 10 0 DEAERO CC(C)Cn1ncc(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1C1CC1 ZINC000333246823 268911168 /nfs/dbraw/zinc/91/11/68/268911168.db2.gz BWYUUPMGTALVDX-AAEUAGOBSA-N 1 0 305.426 2.370 10 0 DEAERO COCc1cnc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000333309826 268923853 /nfs/dbraw/zinc/92/38/53/268923853.db2.gz LLNWUJYXLPRKPY-ZDUSSCGKSA-N 1 0 324.450 2.285 10 0 DEAERO COc1ccc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1SC ZINC000333307538 268924202 /nfs/dbraw/zinc/92/42/02/268924202.db2.gz LDSHJJUKJCVFKL-VXGBXAGGSA-N 1 0 321.446 2.490 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H](c2ccsc2)O1 ZINC000333861843 268997891 /nfs/dbraw/zinc/99/78/91/268997891.db2.gz SGTQKLZZYSBZGV-BPLDGKMQSA-N 1 0 323.462 2.362 10 0 DEAERO C[C@]1(F)C[NH2+]CCN(c2cncc(OC3CCCCC3)n2)C1 ZINC000333918907 269004429 /nfs/dbraw/zinc/00/44/29/269004429.db2.gz ONBYOYQUHXFECD-INIZCTEOSA-N 1 0 308.401 2.326 10 0 DEAERO C[C@@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1cccnc1 ZINC000333929546 269004951 /nfs/dbraw/zinc/00/49/51/269004951.db2.gz YLDZFPYXBDOVGY-CJNGLKHVSA-N 1 0 302.422 2.316 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCc2cnccn2)C1 ZINC000390197545 269097255 /nfs/dbraw/zinc/09/72/55/269097255.db2.gz KZAWSHCBOJYOQU-AWEZNQCLSA-N 1 0 320.437 2.256 10 0 DEAERO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC=CC1 ZINC000397574107 269106794 /nfs/dbraw/zinc/10/67/94/269106794.db2.gz BEWWYTVDYBVSOL-UHFFFAOYSA-N 1 0 314.429 2.096 10 0 DEAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C1(C)C[NH2+]C1 ZINC000399230880 269111468 /nfs/dbraw/zinc/11/14/68/269111468.db2.gz JXCCCFFXKWVHOG-JTQLQIEISA-N 1 0 311.223 2.106 10 0 DEAERO CN1CCC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000443474390 269138109 /nfs/dbraw/zinc/13/81/09/269138109.db2.gz HYHHWHYHWBYWEK-AWEZNQCLSA-N 1 0 316.367 2.246 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCC2CC(O)C2)C1 ZINC000496499007 269224955 /nfs/dbraw/zinc/22/49/55/269224955.db2.gz RBFAQPVEOKWZKG-SLTAFYQDSA-N 1 0 312.454 2.384 10 0 DEAERO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000514895394 269335988 /nfs/dbraw/zinc/33/59/88/269335988.db2.gz XDJYOMPTPWKHLK-AGIUHOORSA-N 1 0 314.451 2.025 10 0 DEAERO CN(C)C(=O)COc1ccccc1C[NH2+]CCOCC1CCC1 ZINC000515191835 269346441 /nfs/dbraw/zinc/34/64/41/269346441.db2.gz WRPCUXMWGSILPK-UHFFFAOYSA-N 1 0 320.433 2.060 10 0 DEAERO COc1ccc2c(c1)[C@@](O)(C[NH2+]CC1=CCCOC1)CCC2 ZINC000371358133 274134285 /nfs/dbraw/zinc/13/42/85/274134285.db2.gz WYOGWOPCMJYTDP-SFHVURJKSA-N 1 0 303.402 2.155 10 0 DEAERO Cn1ccnc1[C@H]([NH2+]CCCNC(=O)c1cccs1)C1CC1 ZINC000183325594 274898008 /nfs/dbraw/zinc/89/80/08/274898008.db2.gz NISVWNAZXDZJAS-CQSZACIVSA-N 1 0 318.446 2.342 10 0 DEAERO Nc1nc(-n2cccn2)cc(N2CCC[C@@H](C(F)(F)F)C2)[nH+]1 ZINC000179880632 274965570 /nfs/dbraw/zinc/96/55/70/274965570.db2.gz KPWDHIDHAZBGSH-SECBINFHSA-N 1 0 312.299 2.023 10 0 DEAERO O=C([C@@H]1CCCc2c(O)cccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190312507 275004869 /nfs/dbraw/zinc/00/48/69/275004869.db2.gz SJKAXFHAMCVHLW-CZUORRHYSA-N 1 0 300.402 2.119 10 0 DEAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)[C@H]2CCCO[C@@H]21 ZINC000328788460 275889905 /nfs/dbraw/zinc/88/99/05/275889905.db2.gz XSLLYZIEGLOTLV-UTSKFRMZSA-N 1 0 323.477 2.347 10 0 DEAERO CC1(C)CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC[C@H]1[NH3+] ZINC000261802444 276126911 /nfs/dbraw/zinc/12/69/11/276126911.db2.gz IXVXUBUIKJJROV-ZIAGYGMSSA-N 1 0 308.809 2.229 10 0 DEAERO CCOC[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246132082 276331577 /nfs/dbraw/zinc/33/15/77/276331577.db2.gz FIPLUHWCNWXFBB-CHWSQXEVSA-N 1 0 322.371 2.146 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CSCCS2)C12CCOCC2 ZINC000186378643 276352426 /nfs/dbraw/zinc/35/24/26/276352426.db2.gz FIQFFCDJMISEAR-HZSPNIEDSA-N 1 0 317.520 2.399 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2Cc3cc(F)ccc3O2)[C@@H](C)C1 ZINC000247294471 276398985 /nfs/dbraw/zinc/39/89/85/276398985.db2.gz GPKIOUKTFPXLDM-YLQAJVPDSA-N 1 0 320.408 2.318 10 0 DEAERO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1nccn1C ZINC000374791862 276585236 /nfs/dbraw/zinc/58/52/36/276585236.db2.gz HZQCWLPTZLIJSX-SOUVJXGZSA-N 1 0 307.438 2.029 10 0 DEAERO CC[C@H]1CCCCN1C(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261738045 276604232 /nfs/dbraw/zinc/60/42/32/276604232.db2.gz KIBDEPKWAGFUAN-SFHVURJKSA-N 1 0 317.477 2.281 10 0 DEAERO C[N@@H+]1CCO[C@@H]2CN(c3ccnc4c(F)cc(F)cc34)C[C@H]21 ZINC000302545024 277125025 /nfs/dbraw/zinc/12/50/25/277125025.db2.gz UKYQHSYIURGINJ-HUUCEWRRSA-N 1 0 305.328 2.032 10 0 DEAERO COC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CCCCC1 ZINC000185901825 277186669 /nfs/dbraw/zinc/18/66/69/277186669.db2.gz JUPHWMLBRTYVIJ-HUUCEWRRSA-N 1 0 309.454 2.214 10 0 DEAERO C[NH2+]CCCC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000178845655 277266552 /nfs/dbraw/zinc/26/65/52/277266552.db2.gz QLHQSSPVDRNQJO-CYBMUJFWSA-N 1 0 300.406 2.358 10 0 DEAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000261677876 277293659 /nfs/dbraw/zinc/29/36/59/277293659.db2.gz HIELPEIVYCGHEG-LBPRGKRZSA-N 1 0 314.451 2.013 10 0 DEAERO COC(=O)C1(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC000174014713 277309943 /nfs/dbraw/zinc/30/99/43/277309943.db2.gz NFOZKVTVFPDACE-KBPBESRZSA-N 1 0 310.438 2.099 10 0 DEAERO CC(C)C(=O)N1CCC(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000195527021 277328063 /nfs/dbraw/zinc/32/80/63/277328063.db2.gz RXWXCNNJTIAULX-ZNMIVQPWSA-N 1 0 323.481 2.011 10 0 DEAERO COC1([C@H](C)[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)CCOCC1 ZINC000453460378 277474746 /nfs/dbraw/zinc/47/47/46/277474746.db2.gz WNTCRCJURXKSEZ-WMZOPIPTSA-N 1 0 321.461 2.381 10 0 DEAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)nn1 ZINC000329545248 277672643 /nfs/dbraw/zinc/67/26/43/277672643.db2.gz ZHAUQEALZOAGBA-ARLBYUKCSA-N 1 0 322.453 2.169 10 0 DEAERO C[C@@H]1CCCC[C@@H]1NC(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261847284 277681902 /nfs/dbraw/zinc/68/19/02/277681902.db2.gz XMIMXJXTAIDNJP-AEFFLSMTSA-N 1 0 317.477 2.185 10 0 DEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000248955546 277795668 /nfs/dbraw/zinc/79/56/68/277795668.db2.gz CDRLWHYOPYXQDG-XUJVJEKNSA-N 1 0 304.438 2.246 10 0 DEAERO CC(C)[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000173522170 277862834 /nfs/dbraw/zinc/86/28/34/277862834.db2.gz YLJWCLAGVLEHFV-SJORKVTESA-N 1 0 304.434 2.215 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000495063359 278021982 /nfs/dbraw/zinc/02/19/82/278021982.db2.gz WVYBTVNWOSQGBP-WOPDTQHZSA-N 1 0 301.381 2.489 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCOC2)c2ccc(F)cc2C1 ZINC000184510639 278056822 /nfs/dbraw/zinc/05/68/22/278056822.db2.gz VKDLVBYQVINCRL-WBVHZDCISA-N 1 0 306.381 2.388 10 0 DEAERO C[C@@H](C(=O)N[C@@H]1CCc2cc(Br)ccc21)C1C[NH2+]C1 ZINC000262353172 278210667 /nfs/dbraw/zinc/21/06/67/278210667.db2.gz GOLQPQODOYHHJT-YMTOWFKASA-N 1 0 323.234 2.408 10 0 DEAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C[C@@H]1C ZINC000328920699 278589471 /nfs/dbraw/zinc/58/94/71/278589471.db2.gz BCYHFDKYSOLNBU-QFRSUPTLSA-N 1 0 304.438 2.106 10 0 DEAERO C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176348814 279016881 /nfs/dbraw/zinc/01/68/81/279016881.db2.gz DFILTZIHZIUNKD-CABCVRRESA-N 1 0 322.474 2.105 10 0 DEAERO C[C@@](C[NH3+])(NS(=O)(=O)c1cccc2ccccc21)C1CC1 ZINC000123922091 279148860 /nfs/dbraw/zinc/14/88/60/279148860.db2.gz CSDRLPMOBQGXOU-INIZCTEOSA-N 1 0 304.415 2.246 10 0 DEAERO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246591410 279214490 /nfs/dbraw/zinc/21/44/90/279214490.db2.gz SYNKJSKGNXGTAR-UXLLHSPISA-N 1 0 313.445 2.133 10 0 DEAERO CCOC[C@H](NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C(C)C ZINC000190125178 279742396 /nfs/dbraw/zinc/74/23/96/279742396.db2.gz ZNXRTEODROWGAC-GJZGRUSLSA-N 1 0 301.475 2.323 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)C1(C)C ZINC000181729159 279874667 /nfs/dbraw/zinc/87/46/67/279874667.db2.gz KGQIVZPRWKCPIR-YESZJQIVSA-N 1 0 318.461 2.479 10 0 DEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000282468101 280040309 /nfs/dbraw/zinc/04/03/09/280040309.db2.gz UNURRSNLFUWJPZ-PELKAZGASA-N 1 0 315.186 2.345 10 0 DEAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)oc2c1C(=O)CCC2 ZINC000195331657 280207759 /nfs/dbraw/zinc/20/77/59/280207759.db2.gz ZRWXYHFGPCUELI-LBPRGKRZSA-N 1 0 302.374 2.027 10 0 DEAERO Cc1c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)oc2c1C(=O)CCC2 ZINC000247541525 280213199 /nfs/dbraw/zinc/21/31/99/280213199.db2.gz YLPIZNZDYQSKJB-DGCLKSJQSA-N 1 0 316.401 2.416 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235360796 280233550 /nfs/dbraw/zinc/23/35/50/280233550.db2.gz WISQLBBPNURCQF-ZYHUDNBSSA-N 1 0 316.854 2.396 10 0 DEAERO CCCn1nc(C)c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1C ZINC000133505041 282017877 /nfs/dbraw/zinc/01/78/77/282017877.db2.gz GVBBKOHZSBIMMP-HNNXBMFYSA-N 1 0 306.454 2.466 10 0 DEAERO CN(C)C(=O)Cc1ccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000261959559 288971833 /nfs/dbraw/zinc/97/18/33/288971833.db2.gz XMJDLYLPYFSNFL-MRXNPFEDSA-N 1 0 317.433 2.034 10 0 DEAERO CN1CCC(CNC(=O)CC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000172751817 289877278 /nfs/dbraw/zinc/87/72/78/289877278.db2.gz ZRROUFSIXCYOGL-UHFFFAOYSA-N 1 0 309.498 2.489 10 0 DEAERO COC[C@@H]([NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1)C1CC1 ZINC000180654768 292838353 /nfs/dbraw/zinc/83/83/53/292838353.db2.gz VMEVOAQKFQOIIW-HZPDHXFCSA-N 1 0 324.490 2.444 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c(C)s1 ZINC000261568042 301392402 /nfs/dbraw/zinc/39/24/02/301392402.db2.gz JKLUDZUJFTXNRG-CABZTGNLSA-N 1 0 302.465 2.113 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000070120932 301601607 /nfs/dbraw/zinc/60/16/07/301601607.db2.gz XGPHINRSJROWSJ-GFCCVEGCSA-N 1 0 302.827 2.069 10 0 DEAERO Cn1cc([C@H](NC(=O)CCC2CC[NH2+]CC2)C(C)(C)C)cn1 ZINC000263218782 302932787 /nfs/dbraw/zinc/93/27/87/302932787.db2.gz LLHDDUXLSJEEEP-INIZCTEOSA-N 1 0 306.454 2.403 10 0 DEAERO Cn1cc([C@H](NC(=O)[C@H]2CC23CC[NH2+]CC3)C(C)(C)C)cn1 ZINC000261926480 302933008 /nfs/dbraw/zinc/93/30/08/302933008.db2.gz JZIFAIIDBXFMCP-KGLIPLIRSA-N 1 0 304.438 2.013 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCN2CCCC2)C1 ZINC000172472324 325731048 /nfs/dbraw/zinc/73/10/48/325731048.db2.gz JFYROBSVSKRKBN-OAHLLOKOSA-N 1 0 311.470 2.319 10 0 DEAERO O[C@@H]1[C@@H](C[NH2+]Cc2cccc3c[nH]nc32)CCC12CCOCC2 ZINC000568124040 325915577 /nfs/dbraw/zinc/91/55/77/325915577.db2.gz YDWVKJIWQQWVIE-NVXWUHKLSA-N 1 0 315.417 2.220 10 0 DEAERO C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC(C)(C(N)=O)C1 ZINC000572764657 325977414 /nfs/dbraw/zinc/97/74/14/325977414.db2.gz GFPXVOJUHSPMJV-XFFZJAGNSA-N 1 0 310.344 2.499 10 0 DEAERO CCn1ncc(NC(=O)N(C)CCC[NH+](C)C)c1C(F)(F)F ZINC000574896010 326198066 /nfs/dbraw/zinc/19/80/66/326198066.db2.gz NPMPWPQDDUGOCI-UHFFFAOYSA-N 1 0 321.347 2.337 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000575473894 326239935 /nfs/dbraw/zinc/23/99/35/326239935.db2.gz LVIBIQOHXNAHJH-KBPBESRZSA-N 1 0 306.410 2.085 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Br)cn1 ZINC000576522202 326299913 /nfs/dbraw/zinc/29/99/13/326299913.db2.gz ZJINVSOUQMDPLA-MWLCHTKSSA-N 1 0 312.211 2.116 10 0 DEAERO COc1ncccc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000576890356 326327432 /nfs/dbraw/zinc/32/74/32/326327432.db2.gz UFQKYTBQHVMACH-CYBMUJFWSA-N 1 0 300.362 2.340 10 0 DEAERO COc1ccc2[nH]c(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2c1 ZINC000189229242 333066601 /nfs/dbraw/zinc/06/66/01/333066601.db2.gz BPCZANFAYMEPPI-AWEZNQCLSA-N 1 0 313.401 2.487 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000189978591 336257986 /nfs/dbraw/zinc/25/79/86/336257986.db2.gz KGJSUVGPPFBWEE-STQMWFEESA-N 1 0 322.453 2.427 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCOCC1CCC1 ZINC000584384766 337233642 /nfs/dbraw/zinc/23/36/42/337233642.db2.gz ZDSVFWYNQIXUNQ-OAHLLOKOSA-N 1 0 311.470 2.367 10 0 DEAERO NC(=O)c1cc(-c2ccc(F)cc2Cl)c2c(n1)C[NH2+]CC2 ZINC000584615973 337372911 /nfs/dbraw/zinc/37/29/11/337372911.db2.gz IWCCJNSUNFRETR-UHFFFAOYSA-N 1 0 305.740 2.286 10 0 DEAERO Fc1ccc(-c2c[nH]c3ncc(NC4CC[NH2+]CC4)nc23)cn1 ZINC000584638675 337379636 /nfs/dbraw/zinc/37/96/36/337379636.db2.gz FCKJSXUDTWRESZ-UHFFFAOYSA-N 1 0 312.352 2.323 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000577816114 341939043 /nfs/dbraw/zinc/93/90/43/341939043.db2.gz GAGWYPYHKLHPKA-DGCLKSJQSA-N 1 0 323.418 2.115 10 0 DEAERO C[C@H]1CC[C@H](C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)O1 ZINC000152365405 500937746 /nfs/dbraw/zinc/93/77/46/500937746.db2.gz LLKCEMXHAHRBTQ-WMLDXEAASA-N 1 0 320.433 2.201 10 0 DEAERO COc1ccc(O)cc1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000188942773 534211592 /nfs/dbraw/zinc/21/15/92/534211592.db2.gz GHKPKUHLMFPZFV-ZDUSSCGKSA-N 1 0 306.406 2.251 10 0 DEAERO COC(=O)c1ccc(NCC[N@@H+]2CCC[C@@H](C)C2)nc1OC ZINC000302326136 534223912 /nfs/dbraw/zinc/22/39/12/534223912.db2.gz SLMCKNCIIKNQRU-GFCCVEGCSA-N 1 0 307.394 2.021 10 0 DEAERO Cc1noc(C)c1CC[N@@H+](C)C1CCN(c2cccnn2)CC1 ZINC000328607891 534339338 /nfs/dbraw/zinc/33/93/38/534339338.db2.gz LPBPEQNKDWMBSD-UHFFFAOYSA-N 1 0 315.421 2.225 10 0 DEAERO CCCc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2cnccn2)n1 ZINC000070456314 521382450 /nfs/dbraw/zinc/38/24/50/521382450.db2.gz DWBZLIKYXVSKQW-ZDUSSCGKSA-N 1 0 312.421 2.298 10 0 DEAERO CCOc1ncccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246750786 521623048 /nfs/dbraw/zinc/62/30/48/521623048.db2.gz BSEHYMNDTZAWBN-STQMWFEESA-N 1 0 306.410 2.427 10 0 DEAERO CCCN(C[C@@H]1CCCCO1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000106561027 521675678 /nfs/dbraw/zinc/67/56/78/521675678.db2.gz RGJUMGSZRCCJPZ-ZBFHGGJFSA-N 1 0 311.470 2.460 10 0 DEAERO CCCN(C[C@H]1CCCCO1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000106561033 521676891 /nfs/dbraw/zinc/67/68/91/521676891.db2.gz RGJUMGSZRCCJPZ-GOEBONIOSA-N 1 0 311.470 2.460 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC)cc2O)[C@@H](C)C1 ZINC000247518604 521712660 /nfs/dbraw/zinc/71/26/60/521712660.db2.gz WGMGSDFVNYETTN-SWLSCSKDSA-N 1 0 306.406 2.203 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NOCc2ccccc2)[C@H](C)C1 ZINC000129036942 521718568 /nfs/dbraw/zinc/71/85/68/521718568.db2.gz URZUIMKVGXMYIJ-ZBFHGGJFSA-N 1 0 305.422 2.490 10 0 DEAERO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cnn2c1CCCC2 ZINC000127499953 521752953 /nfs/dbraw/zinc/75/29/53/521752953.db2.gz HIIPLLZJMHXZPQ-UHFFFAOYSA-N 1 0 316.405 2.016 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)NCc2cscn2)ccc1F ZINC000115814277 521889510 /nfs/dbraw/zinc/88/95/10/521889510.db2.gz JNHPCTDRKNTQMF-UHFFFAOYSA-N 1 0 322.409 2.343 10 0 DEAERO CCn1cnnc1C1CC[NH+](CCCCn2ccnc2C)CC1 ZINC000163309131 523581235 /nfs/dbraw/zinc/58/12/35/523581235.db2.gz FFGJDGNYYJHIEW-UHFFFAOYSA-N 1 0 316.453 2.463 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@H]1c1ccccc1 ZINC000247914435 523985466 /nfs/dbraw/zinc/98/54/66/523985466.db2.gz AUVAELWREBMFRB-SOLBZPMBSA-N 1 0 324.428 2.007 10 0 DEAERO COc1cccc([C@H]2C[C@@H]2C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000106763986 524183492 /nfs/dbraw/zinc/18/34/92/524183492.db2.gz WPCNVWQBRMYNQU-SJORKVTESA-N 1 0 302.418 2.257 10 0 DEAERO C[C@@H](CC(=O)NC1CC[NH+](C(C)(C)C)CC1)N1CCCCC1=O ZINC000189184238 524366789 /nfs/dbraw/zinc/36/67/89/524366789.db2.gz JHNXAUGPBIVUFV-AWEZNQCLSA-N 1 0 323.481 2.157 10 0 DEAERO COc1ccccc1CCN(C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000105263142 524406924 /nfs/dbraw/zinc/40/69/24/524406924.db2.gz FCWFEUVJASEFMG-CQSZACIVSA-N 1 0 319.449 2.362 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccccc1S(=O)(=O)C(F)F ZINC000229601615 525551334 /nfs/dbraw/zinc/55/13/34/525551334.db2.gz QCXCAGKEZUWFNT-UWVGGRQHSA-N 1 0 304.362 2.235 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc(F)c(Br)c1 ZINC000339472484 525683953 /nfs/dbraw/zinc/68/39/53/525683953.db2.gz OGSSGOHZCMQUHG-HQJQHLMTSA-N 1 0 301.159 2.127 10 0 DEAERO C[C@@]1(CNC(=O)c2cnns2)CCC[N@@H+]1Cc1ccccc1 ZINC000163419841 525845679 /nfs/dbraw/zinc/84/56/79/525845679.db2.gz RSVQNYWZECGSJX-INIZCTEOSA-N 1 0 316.430 2.323 10 0 DEAERO Cc1ccc([C@H](O)CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000246280631 525976038 /nfs/dbraw/zinc/97/60/38/525976038.db2.gz MNHRBBIPCWBQSR-ZTFGCOKTSA-N 1 0 312.413 2.481 10 0 DEAERO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N3CCCC[C@@H]3C)C2)c1 ZINC000105923438 526268034 /nfs/dbraw/zinc/26/80/34/526268034.db2.gz YNXWEOWGXVBWIP-HOTGVXAUSA-N 1 0 304.438 2.229 10 0 DEAERO O=C(NCC[C@H]1CCC[NH2+]C1)c1cccc(NC(=O)C2CC2)c1 ZINC000238039634 526389461 /nfs/dbraw/zinc/38/94/61/526389461.db2.gz BWFUQKFDUBKNLZ-CYBMUJFWSA-N 1 0 315.417 2.155 10 0 DEAERO C[NH2+]C1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000262066558 536440318 /nfs/dbraw/zinc/44/03/18/536440318.db2.gz BGHAVLWWCYTDGT-UHFFFAOYSA-N 1 0 306.360 2.334 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000421679093 526470347 /nfs/dbraw/zinc/47/03/47/526470347.db2.gz HGXSLAWAZQMEDV-UHFFFAOYSA-N 1 0 317.433 2.272 10 0 DEAERO O=C(NCc1nc2cc(F)ccc2[nH]1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246538111 526822595 /nfs/dbraw/zinc/82/25/95/526822595.db2.gz SEZIDBSOMNNCSN-HCKVZZMMSA-N 1 0 316.380 2.239 10 0 DEAERO Cc1nc(CN(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)no1 ZINC000365981527 526836304 /nfs/dbraw/zinc/83/63/04/526836304.db2.gz URGJKEODYXJIDS-CQSZACIVSA-N 1 0 306.410 2.134 10 0 DEAERO CC(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1O ZINC000331336364 527235564 /nfs/dbraw/zinc/23/55/64/527235564.db2.gz IWXUBFUNSOUDGU-FZMZJTMJSA-N 1 0 304.390 2.150 10 0 DEAERO [NH3+][C@@H](CNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)C1CC1 ZINC000238059010 527332022 /nfs/dbraw/zinc/33/20/22/527332022.db2.gz GVKCMRSTQAJRSM-AWEZNQCLSA-N 1 0 312.373 2.081 10 0 DEAERO [NH3+][C@H](CNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)C1CC1 ZINC000245645739 527386501 /nfs/dbraw/zinc/38/65/01/527386501.db2.gz CBOTTYLPWONYBV-MELADBBJSA-N 1 0 323.234 2.406 10 0 DEAERO CC[NH+](CC)CC1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000442958885 528095113 /nfs/dbraw/zinc/09/51/13/528095113.db2.gz XTCORCSFLHKENX-UHFFFAOYSA-N 1 0 304.500 2.416 10 0 DEAERO CCN(CCC[NH+](C)C)S(=O)(=O)c1c(F)cccc1Cl ZINC000191993860 528442982 /nfs/dbraw/zinc/44/29/82/528442982.db2.gz AENYHSPLWJRTFX-UHFFFAOYSA-N 1 0 322.833 2.441 10 0 DEAERO CCCCOC[C@H](O)C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000195215087 528626429 /nfs/dbraw/zinc/62/64/29/528626429.db2.gz CDMJTCKSAIBZIU-RHSMWYFYSA-N 1 0 318.421 2.096 10 0 DEAERO CCOC(=O)CN(C(=O)C1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000193832089 528766393 /nfs/dbraw/zinc/76/63/93/528766393.db2.gz YAFTYRBWRXKVQU-UHFFFAOYSA-N 1 0 310.438 2.051 10 0 DEAERO CC(C)N(CC1CCC1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000193400085 528873073 /nfs/dbraw/zinc/87/30/73/528873073.db2.gz YPULANQJIXCVID-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccncc1OC ZINC000189852197 528998898 /nfs/dbraw/zinc/99/88/98/528998898.db2.gz NRDVTDWZCYHWEL-UONOGXRCSA-N 1 0 320.437 2.325 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCc1ccc(F)cc1 ZINC000261649025 535042123 /nfs/dbraw/zinc/04/21/23/535042123.db2.gz FNNXFSCOIRRICK-HDMKZQKVSA-N 1 0 320.408 2.017 10 0 DEAERO CC(C)[C@H](NC(=O)CC1CC[NH+](C)CC1)c1nc(C2CC2)no1 ZINC000362718552 535077031 /nfs/dbraw/zinc/07/70/31/535077031.db2.gz YUVCONZDYWHICF-HNNXBMFYSA-N 1 0 320.437 2.492 10 0 DEAERO CC(C)[C@H]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000261990297 535185446 /nfs/dbraw/zinc/18/54/46/535185446.db2.gz SRCHDQZUHSGAPB-SVGFKBNWSA-N 1 0 318.465 2.054 10 0 DEAERO CC1(C)CN(C(=O)Cc2cccc(OC(F)F)c2)CC[C@H]1[NH3+] ZINC000262119171 535336816 /nfs/dbraw/zinc/33/68/16/535336816.db2.gz WEDIROXBVLDQBD-CYBMUJFWSA-N 1 0 312.360 2.416 10 0 DEAERO CCCC[C@@H](C[NH3+])NC(=O)CCc1nc2c(cccc2C)[nH]1 ZINC000262596338 535353250 /nfs/dbraw/zinc/35/32/50/535353250.db2.gz KKFRRNUIDNVMIT-ZDUSSCGKSA-N 1 0 302.422 2.438 10 0 DEAERO CCCc1ccc([C@H](C)N(CC(N)=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261797781 535425380 /nfs/dbraw/zinc/42/53/80/535425380.db2.gz GSGJGFRWHNQAGD-DOTOQJQBSA-N 1 0 317.477 2.487 10 0 DEAERO CCOc1ccccc1OCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247455122 535539326 /nfs/dbraw/zinc/53/93/26/535539326.db2.gz TVJMXHHEWHKMLF-CABCVRRESA-N 1 0 320.433 2.309 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)NCc2ccccc2)C[C@@H]1CC ZINC000116928165 535595447 /nfs/dbraw/zinc/59/54/47/535595447.db2.gz KYJPAYGRNGWIOX-KRWDZBQOSA-N 1 0 319.449 2.329 10 0 DEAERO CCOCCN1CC[N@H+](CCC(=O)Nc2ccccc2)C[C@H]1C ZINC000247075846 535603988 /nfs/dbraw/zinc/60/39/88/535603988.db2.gz GSGRYRBLDBONEJ-MRXNPFEDSA-N 1 0 319.449 2.058 10 0 DEAERO CCOC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)C(C)C ZINC000191808688 535694853 /nfs/dbraw/zinc/69/48/53/535694853.db2.gz PESGNAGQMUAWQT-OWCLPIDISA-N 1 0 313.486 2.419 10 0 DEAERO C[NH+](C)CCCCNC(=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC000357794929 535830385 /nfs/dbraw/zinc/83/03/85/535830385.db2.gz HHZZUWSYAXYTGV-CQSZACIVSA-N 1 0 307.413 2.110 10 0 DEAERO CCn1nccc1CN1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000261831284 535869909 /nfs/dbraw/zinc/86/99/09/535869909.db2.gz YVDHDFUJBUOXFD-MRXNPFEDSA-N 1 0 300.406 2.058 10 0 DEAERO CCc1cccc(CC)c1NC(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261606895 535880485 /nfs/dbraw/zinc/88/04/85/535880485.db2.gz BFWZEYOULXGRDG-GOSISDBHSA-N 1 0 303.450 2.421 10 0 DEAERO CCc1noc(C)c1CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000454663679 535880864 /nfs/dbraw/zinc/88/08/64/535880864.db2.gz KLWWDVGGIFJMHI-AWEZNQCLSA-N 1 0 322.453 2.323 10 0 DEAERO C[NH+](C)CCn1nccc1NC(=O)Cc1ccc(Cl)c(F)c1 ZINC000359494748 535937027 /nfs/dbraw/zinc/93/70/27/535937027.db2.gz GSJRBEYMERIFIO-UHFFFAOYSA-N 1 0 324.787 2.418 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)N[C@H]1CCO[C@H]1C1CC1)c1ccccc1 ZINC000332751832 535951797 /nfs/dbraw/zinc/95/17/97/535951797.db2.gz BTVRXJIHERMIAV-ULQDDVLXSA-N 1 0 317.433 2.156 10 0 DEAERO C[NH+](C)CC1CCN(C(=O)C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000358017750 536116454 /nfs/dbraw/zinc/11/64/54/536116454.db2.gz WBVPLGVDSBNVNJ-UHFFFAOYSA-N 1 0 314.429 2.158 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCOC(C)C ZINC000248384544 536165459 /nfs/dbraw/zinc/16/54/59/536165459.db2.gz FFWKBBUKBHLNGF-HOTGVXAUSA-N 1 0 311.470 2.460 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccncc1C ZINC000252004960 536167098 /nfs/dbraw/zinc/16/70/98/536167098.db2.gz XJJMQUOQXRJSQC-HOTGVXAUSA-N 1 0 302.422 2.158 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)cc1OC ZINC000252730792 536524437 /nfs/dbraw/zinc/52/44/37/536524437.db2.gz MYAHBAAIHJNCKC-QRQYBIJMSA-N 1 0 313.463 2.382 10 0 DEAERO CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@H]([NH3+])CCSC ZINC000262533164 536665464 /nfs/dbraw/zinc/66/54/64/536665464.db2.gz IZEMRRYVZWDNCW-GDLCADMTSA-N 1 0 314.426 2.098 10 0 DEAERO COC(=O)c1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1F ZINC000246224677 536679589 /nfs/dbraw/zinc/67/95/89/536679589.db2.gz LYGIMOSQSWWKON-OCCSQVGLSA-N 1 0 306.381 2.281 10 0 DEAERO CO[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000246130625 536708989 /nfs/dbraw/zinc/70/89/89/536708989.db2.gz OYTCTJBNMZSICU-CVEARBPZSA-N 1 0 313.825 2.328 10 0 DEAERO COCc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248151881 536751441 /nfs/dbraw/zinc/75/14/41/536751441.db2.gz QVMXZFRTDLBBCH-IAGOWNOFSA-N 1 0 302.418 2.389 10 0 DEAERO COc1ccc(C)cc1NC(=O)[C@@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261925047 536812212 /nfs/dbraw/zinc/81/22/12/536812212.db2.gz ZDWYQLVYRFYWNC-CZUORRHYSA-N 1 0 319.449 2.390 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000457489402 536880657 /nfs/dbraw/zinc/88/06/57/536880657.db2.gz SUMFWKKTGNVYFN-CQSZACIVSA-N 1 0 318.417 2.243 10 0 DEAERO COc1ccc2c(c1NC(=O)N1CC[C@H]([NH+](C)C)C1)CCC2 ZINC000191354498 537023396 /nfs/dbraw/zinc/02/33/96/537023396.db2.gz LDFWELZJXUBWSW-ZDUSSCGKSA-N 1 0 303.406 2.352 10 0 DEAERO COc1ccc(Br)cc1C[NH2+][C@H](C(N)=O)C(C)C ZINC000107323236 563566940 /nfs/dbraw/zinc/56/69/40/563566940.db2.gz FHSFKEGCSPIACT-LBPRGKRZSA-N 1 0 315.211 2.057 10 0 DEAERO Cc1nc(N)sc1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309694053 625314435 /nfs/dbraw/zinc/31/44/35/625314435.db2.gz DRAQEDDHVMJNPT-LLVKDONJSA-N 1 0 318.446 2.284 10 0 DEAERO C[C@H]1CN(Cc2ccccc2I)C[C@@H]1[NH3+] ZINC000309460949 625323043 /nfs/dbraw/zinc/32/30/43/625323043.db2.gz OVNWNWQQADRVSR-CABZTGNLSA-N 1 0 316.186 2.070 10 0 DEAERO COc1ccc(CC(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000169800204 622630453 /nfs/dbraw/zinc/63/04/53/622630453.db2.gz VUNOEYXYLIJCGC-UHFFFAOYSA-N 1 0 302.418 2.182 10 0 DEAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)/C=C\c2ccc(F)cc2)C1 ZINC000255053987 623171422 /nfs/dbraw/zinc/17/14/22/623171422.db2.gz XEYXHNLHQXQJLQ-QQBNSCQMSA-N 1 0 312.410 2.058 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000174018833 625682878 /nfs/dbraw/zinc/68/28/78/625682878.db2.gz MXZILQYPFXCPBE-GFCCVEGCSA-N 1 0 313.357 2.470 10 0 DEAERO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1)C1CCCC1 ZINC000088540827 624033944 /nfs/dbraw/zinc/03/39/44/624033944.db2.gz VFSVQMSGCUWFJX-NSHDSACASA-N 1 0 300.424 2.198 10 0 DEAERO COc1ccc(F)cc1C[NH2+]C[C@H]1CCO[C@@H]1c1cn[nH]c1 ZINC000888078053 625056816 /nfs/dbraw/zinc/05/68/16/625056816.db2.gz IRWQAVRCZHSSDY-BZNIZROVSA-N 1 0 305.353 2.425 10 0 DEAERO [NH2+]=C(NCCSCc1ccccc1F)NC[C@H]1CCCO1 ZINC000066242622 625056979 /nfs/dbraw/zinc/05/69/79/625056979.db2.gz RYTQMBMCQHIVPL-CYBMUJFWSA-N 1 0 311.426 2.142 10 0 DEAERO COCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000052792491 625103656 /nfs/dbraw/zinc/10/36/56/625103656.db2.gz NYTNZRUVJSKOOH-CABZTGNLSA-N 1 0 304.312 2.246 10 0 DEAERO C[C@H]1CC[C@@H](C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)O1 ZINC000178092512 625127898 /nfs/dbraw/zinc/12/78/98/625127898.db2.gz PHYJIUNEHAIIGF-YOEHRIQHSA-N 1 0 317.433 2.335 10 0 DEAERO C[NH2+]C[C@H]1CCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000053703812 625719749 /nfs/dbraw/zinc/71/97/49/625719749.db2.gz KSQQZFVLUOACSQ-LLVKDONJSA-N 1 0 322.352 2.168 10 0 DEAERO C[C@H](Cn1ccnc1)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000235497635 625860832 /nfs/dbraw/zinc/86/08/32/625860832.db2.gz YTADQWIIGWJASW-ZIAGYGMSSA-N 1 0 308.426 2.261 10 0 DEAERO O=S(=O)(N[C@@H]1CCCC12CCCCC2)[C@H]1CCC[NH2+]C1 ZINC000312962067 633384607 /nfs/dbraw/zinc/38/46/07/633384607.db2.gz ABMTWGCBOXWRCK-UONOGXRCSA-N 1 0 300.468 2.161 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccoc1 ZINC000124958872 633453540 /nfs/dbraw/zinc/45/35/40/633453540.db2.gz JXOKWRPWNAYOMS-PBHICJAKSA-N 1 0 313.401 2.244 10 0 DEAERO Cc1ccc(N2CCC[C@@H](NC(=O)C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000249539005 636246350 /nfs/dbraw/zinc/24/63/50/636246350.db2.gz DIFNSEJGRKKTPT-HZPDHXFCSA-N 1 0 301.434 2.080 10 0 DEAERO Fc1cc(Br)cc(OC[C@H]2C[NH2+]CCO2)c1F ZINC000219987917 636842687 /nfs/dbraw/zinc/84/26/87/636842687.db2.gz ZDYMXFHAWBGQLG-MRVPVSSYSA-N 1 0 308.122 2.095 10 0 DEAERO CC[N@H+](C/C=C(/C)C(=O)OC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000748813933 637311572 /nfs/dbraw/zinc/31/15/72/637311572.db2.gz WYIKOKBIDYIBEK-KAMYIIQDSA-N 1 0 318.417 2.330 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000178964870 637527318 /nfs/dbraw/zinc/52/73/18/637527318.db2.gz BQAVFRVUISEMHB-IXLVIVEVSA-N 1 0 312.410 2.233 10 0 DEAERO Cc1ccc(N2CCCC2)c(C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000743314342 638133516 /nfs/dbraw/zinc/13/35/16/638133516.db2.gz RAFNQHWJPCZHHG-UHFFFAOYSA-N 1 0 324.428 2.254 10 0 DEAERO Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C2)no1 ZINC000896156909 638383370 /nfs/dbraw/zinc/38/33/70/638383370.db2.gz VIUYJZDRGNRYIP-UONOGXRCSA-N 1 0 320.437 2.032 10 0 DEAERO C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccncc1 ZINC000749566013 638660397 /nfs/dbraw/zinc/66/03/97/638660397.db2.gz VINSQSFMENOVAQ-GJZGRUSLSA-N 1 0 304.438 2.359 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)C[C@@H](OC)C3)C1 ZINC000752924427 639235576 /nfs/dbraw/zinc/23/55/76/639235576.db2.gz ARWNNBLNOYYVIB-GUYCJALGSA-N 1 0 317.433 2.264 10 0 DEAERO COc1cc(C[NH2+][C@H](C)[C@H](C)O)cc(Br)c1O ZINC000342244801 639500613 /nfs/dbraw/zinc/50/06/13/639500613.db2.gz YOMMXKSKSHHBHJ-SFYZADRCSA-N 1 0 304.184 2.022 10 0 DEAERO CCn1cc([C@@H]2[NH2+]C[C@@]23CCN(C(=O)OC(C)(C)C)C3)cn1 ZINC000536957659 641317385 /nfs/dbraw/zinc/31/73/85/641317385.db2.gz CQDICSAWUQDISA-XJKSGUPXSA-N 1 0 306.410 2.175 10 0 DEAERO Cn1nccc1CCOC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000805897406 643750731 /nfs/dbraw/zinc/75/07/31/643750731.db2.gz SGQXNDLTNRXFAB-UHFFFAOYSA-N 1 0 313.401 2.415 10 0 DEAERO C[C@H]1[C@@H](OC(=O)c2cccc(C[NH+]3CCCC3)c2)CC(=O)N1C ZINC000806080594 644650733 /nfs/dbraw/zinc/65/07/33/644650733.db2.gz HSVIYJIRHROJBL-BBRMVZONSA-N 1 0 316.401 2.058 10 0 DEAERO CC(=O)[C@@H](C)CCCCC(=O)OC[C@H]1C[N@H+](C(C)C)CCO1 ZINC000802133038 645484368 /nfs/dbraw/zinc/48/43/68/645484368.db2.gz CBXHLWZRLMZDGN-GOEBONIOSA-N 1 0 313.438 2.424 10 0 DEAERO CC(=O)[C@@H](C)CCCCC(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000802133039 645484580 /nfs/dbraw/zinc/48/45/80/645484580.db2.gz CBXHLWZRLMZDGN-HOCLYGCPSA-N 1 0 313.438 2.424 10 0 DEAERO CC(=O)OCC(C)(C)CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804524189 645785399 /nfs/dbraw/zinc/78/53/99/645785399.db2.gz MJLYTBMUOPZRCH-DZGCQCFKSA-N 1 0 310.438 2.051 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cn1)Cc1ccccc1 ZINC000806290148 645814659 /nfs/dbraw/zinc/81/46/59/645814659.db2.gz HZDWMBKCUZVAEK-QGZVFWFLSA-N 1 0 315.392 2.052 10 0 DEAERO CC(C)(C)OC(=O)CCc1nc([C@@]2([NH3+])CCCSC2)no1 ZINC000757182459 645937073 /nfs/dbraw/zinc/93/70/73/645937073.db2.gz JFLSCMMVKMDQCK-CQSZACIVSA-N 1 0 313.423 2.025 10 0 DEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cscc1Br ZINC000757189342 645939113 /nfs/dbraw/zinc/93/91/13/645939113.db2.gz MYXPCSNGPCLODO-YUMQZZPRSA-N 1 0 304.209 2.377 10 0 DEAERO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000044556872 646412295 /nfs/dbraw/zinc/41/22/95/646412295.db2.gz QBSGJKZZSDKYKQ-PLWJUESGSA-N 1 0 314.838 2.454 10 0 DEAERO C[N@H+](CCCOC(=O)C[C@@H]1COC(=O)C1)Cc1ccccc1 ZINC000156758112 646457139 /nfs/dbraw/zinc/45/71/39/646457139.db2.gz LLCIMXFEKFZLJE-HNNXBMFYSA-N 1 0 305.374 2.005 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)OC[C@H]3CCOC3)cc2)CC1 ZINC000157888611 646574487 /nfs/dbraw/zinc/57/44/87/646574487.db2.gz BSSKGSSRFZWEJF-HNNXBMFYSA-N 1 0 318.417 2.022 10 0 DEAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1cncs1 ZINC000229114956 646667805 /nfs/dbraw/zinc/66/78/05/646667805.db2.gz CJPMQHQIOBEXIU-UWVGGRQHSA-N 1 0 311.432 2.202 10 0 DEAERO CC/C(C)=C\CC[NH+]1CCC(c2nccn2CC(N)=O)CC1 ZINC000229816834 646702537 /nfs/dbraw/zinc/70/25/37/646702537.db2.gz SRZMUDVANDYDQA-RZNTYIFUSA-N 1 0 304.438 2.294 10 0 DEAERO O=C1CC2(CN1C/C=C\c1ccccc1)CC[NH+](CCO)CC2 ZINC000229937446 646708400 /nfs/dbraw/zinc/70/84/00/646708400.db2.gz FUCBMPPZTWGIQU-DAXSKMNVSA-N 1 0 314.429 2.007 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccn1C ZINC000230412491 646729042 /nfs/dbraw/zinc/72/90/42/646729042.db2.gz BWBFQSVZBXGIEJ-OLZOCXBDSA-N 1 0 308.426 2.328 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cncnc1 ZINC000230685014 646743705 /nfs/dbraw/zinc/74/37/05/646743705.db2.gz YRNZBJSKKLHIMN-ZIAGYGMSSA-N 1 0 306.410 2.260 10 0 DEAERO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCCN(C)C1 ZINC000230942136 646752831 /nfs/dbraw/zinc/75/28/31/646752831.db2.gz GNQPHTPJHXAUDI-CABCVRRESA-N 1 0 313.486 2.467 10 0 DEAERO CCOC(=O)CC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000173347995 646766117 /nfs/dbraw/zinc/76/61/17/646766117.db2.gz RQSVBOYECQTZON-STQMWFEESA-N 1 0 314.426 2.223 10 0 DEAERO CCC[C@@H]1CC(=O)N(CN2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000173353190 646766939 /nfs/dbraw/zinc/76/69/39/646766939.db2.gz DLAKKMYLMARCKK-QGZVFWFLSA-N 1 0 307.482 2.400 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)CCC2CCOCC2)C1 ZINC000174282255 646801110 /nfs/dbraw/zinc/80/11/10/646801110.db2.gz ULFGAMUTBHNQHJ-INIZCTEOSA-N 1 0 313.438 2.093 10 0 DEAERO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)c1ccccc1 ZINC000261925643 647142093 /nfs/dbraw/zinc/14/20/93/647142093.db2.gz LAYJDHCWZNVYTB-BSDSXHPESA-N 1 0 304.434 2.121 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCCCCCC2)C[C@@H]1C ZINC000153344545 647421970 /nfs/dbraw/zinc/42/19/70/647421970.db2.gz YINRZNLERQRHAI-LSDHHAIUSA-N 1 0 311.470 2.196 10 0 DEAERO Cc1c[nH+]ccc1N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818145904 647425170 /nfs/dbraw/zinc/42/51/70/647425170.db2.gz NXPNLXKFTSIVLJ-KRWDZBQOSA-N 1 0 314.389 2.224 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CSCCS1 ZINC000179707742 648410619 /nfs/dbraw/zinc/41/06/19/648410619.db2.gz BVSIGWQQUORYDN-ZFWWWQNUSA-N 1 0 324.515 2.472 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])c(Cl)cc1F ZINC000237792467 648420945 /nfs/dbraw/zinc/42/09/45/648420945.db2.gz XPRKIYBJADTARY-CABZTGNLSA-N 1 0 320.817 2.193 10 0 DEAERO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(Cl)c1C ZINC000071312816 649075707 /nfs/dbraw/zinc/07/57/07/649075707.db2.gz GWZBMZCDZPJGKI-LLVKDONJSA-N 1 0 302.827 2.021 10 0 DEAERO COCC1=CC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 ZINC000185050731 649424699 /nfs/dbraw/zinc/42/46/99/649424699.db2.gz ZRJSPQZDMFBLFY-UHFFFAOYSA-N 1 0 323.400 2.361 10 0 DEAERO Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(N)[nH+]1 ZINC000379700230 685393302 /nfs/dbraw/zinc/39/33/02/685393302.db2.gz RPMZUMKUEYJVJI-HOCLYGCPSA-N 1 0 311.433 2.084 10 0 DEAERO [NH3+]CCc1ccc(CNC(=O)c2coc(Br)c2)cc1 ZINC000380873295 685397630 /nfs/dbraw/zinc/39/76/30/685397630.db2.gz HTUQONPFTZRLAH-UHFFFAOYSA-N 1 0 323.190 2.473 10 0 DEAERO CC(C)[C@@H](CNCc1nc(Br)c[nH]1)[NH+]1CCCC1 ZINC000381336850 685401387 /nfs/dbraw/zinc/40/13/87/685401387.db2.gz JKOHNRXQYYIYLB-LLVKDONJSA-N 1 0 315.259 2.382 10 0 DEAERO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C[C@@H]2CCC(=O)N2)cc1 ZINC000396805850 685463659 /nfs/dbraw/zinc/46/36/59/685463659.db2.gz LONCYJJSRIGHMV-AWEZNQCLSA-N 1 0 319.405 2.402 10 0 DEAERO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037291879 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CCN(C)c1ccc(C[NH2+]C[C@H](O)c2ccccc2OC)cn1 ZINC000190846321 684415763 /nfs/dbraw/zinc/41/57/63/684415763.db2.gz LNVYLFZISBNOHB-INIZCTEOSA-N 1 0 315.417 2.370 10 0 DEAERO CCCCCC[C@@H](C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000192796835 684457903 /nfs/dbraw/zinc/45/79/03/684457903.db2.gz DXGSHRKZHACKOX-CVEARBPZSA-N 1 0 313.486 2.491 10 0 DEAERO COc1ccccc1[C@H](O)CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000245201828 685109406 /nfs/dbraw/zinc/10/94/06/685109406.db2.gz MZSIFYKGVWIMMJ-HGTKMLMNSA-N 1 0 320.433 2.106 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2CSCCS2)CC[N@@H+]1C ZINC000246625983 685133583 /nfs/dbraw/zinc/13/35/83/685133583.db2.gz IRLDWCCYYWTBCZ-AGIUHOORSA-N 1 0 302.509 2.166 10 0 DEAERO C[C@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CCc2ccccc21 ZINC000250210891 685189940 /nfs/dbraw/zinc/18/99/40/685189940.db2.gz ODQOYBNDTCBSRK-WBVHZDCISA-N 1 0 313.445 2.134 10 0 DEAERO C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251703574 685191977 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300.200 2.219 10 0 DEAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000714252585 792306049 /nfs/dbraw/zinc/30/60/49/792306049.db2.gz AZGSWYJUZDPWRF-XYPYZODXSA-N 1 0 307.337 2.371 10 0 DEAERO COC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000714483611 792323054 /nfs/dbraw/zinc/32/30/54/792323054.db2.gz FXHGLBKEQSQCTE-DDTOSNHZSA-N 1 0 314.223 2.497 10 0 DEAERO CCC1([NH3+])CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000714758939 792335465 /nfs/dbraw/zinc/33/54/65/792335465.db2.gz KLDFLRFUEDUXEZ-UHFFFAOYSA-N 1 0 302.827 2.232 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CCn3ccnc32)C1 ZINC000715068144 792379534 /nfs/dbraw/zinc/37/95/34/792379534.db2.gz VKKUFHXXLZDKPE-FRRDWIJNSA-N 1 0 306.410 2.221 10 0 DEAERO [NH3+]C1CC(CNC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000715110610 792383492 /nfs/dbraw/zinc/38/34/92/792383492.db2.gz SFNIYBAFKNVMKH-UHFFFAOYSA-N 1 0 307.444 2.268 10 0 DEAERO [NH3+]C1CC(CNC(=O)c2cc(F)cc(Br)c2)C1 ZINC000715108532 792383669 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CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CC[C@H](O)C(F)F)C1 ZINC000716751404 793005910 /nfs/dbraw/zinc/00/59/10/793005910.db2.gz GJHOUKYMGMWDAL-TUAOUCFPSA-N 1 0 322.396 2.428 10 0 DEAERO Cc1sc(C[NH2+]C2CC(C(N)=O)C2)cc1Br ZINC000716774615 793007481 /nfs/dbraw/zinc/00/74/81/793007481.db2.gz HTWNZKGBFJKNKI-UHFFFAOYSA-N 1 0 303.225 2.173 10 0 DEAERO CC[C@@H](C[C@@H](C)O)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000716855372 793009527 /nfs/dbraw/zinc/00/95/27/793009527.db2.gz WMACLXHLBSSNGF-ZIHBUVQPSA-N 1 0 300.443 2.429 10 0 DEAERO Cn1cc(C[NH2+]C[C@H]2CC(C)(C)CO2)c(Br)n1 ZINC000717598777 799424538 /nfs/dbraw/zinc/42/45/38/799424538.db2.gz FIYDQWFOGZYKKW-SNVBAGLBSA-N 1 0 302.216 2.087 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CC2(CCO)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401848057 801854822 /nfs/dbraw/zinc/85/48/22/801854822.db2.gz RGOOYOUYTRVYIF-KGLIPLIRSA-N 1 0 312.454 2.384 10 0 DEAERO CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)C1 ZINC000404570857 802023893 /nfs/dbraw/zinc/02/38/93/802023893.db2.gz HNLGWFFSIHYHFJ-MELADBBJSA-N 1 0 309.454 2.116 10 0 DEAERO Cn1cnc(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)c1 ZINC000404669602 802028003 /nfs/dbraw/zinc/02/80/03/802028003.db2.gz VKCXUEBEIDYMFK-ZIAGYGMSSA-N 1 0 320.437 2.346 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405229878 802044683 /nfs/dbraw/zinc/04/46/83/802044683.db2.gz FWIJGNXOHGLUES-RQJABVFESA-N 1 0 312.454 2.429 10 0 DEAERO CC(C)[C@H](O)C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405294140 802048131 /nfs/dbraw/zinc/04/81/31/802048131.db2.gz ZWMCRBWUXMENEW-MCIONIFRSA-N 1 0 312.454 2.429 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720837568 1086204837 /nfs/dbraw/zinc/20/48/37/1086204837.db2.gz PSVREADBJMDFEN-GBIKHYSHSA-N 1 0 314.227 2.230 10 0 DEAERO CC(C)C[NH+]1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000047409951 1079689660 /nfs/dbraw/zinc/68/96/60/1079689660.db2.gz LGMWIWVYSHFEIG-UHFFFAOYSA-N 1 0 318.417 2.400 10 0 DEAERO COc1ccc(C[NH2+][C@H](C)Cn2cncn2)cc1OCC(C)C ZINC000067505044 1079893795 /nfs/dbraw/zinc/89/37/95/1079893795.db2.gz HDKLIDWHTFYDNA-CQSZACIVSA-N 1 0 318.421 2.500 10 0 DEAERO COC[C@@H](O)C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000071266523 1080010856 /nfs/dbraw/zinc/01/08/56/1080010856.db2.gz NDBVQBWZGPTVLN-MCIGGMRASA-N 1 0 314.223 2.292 10 0 DEAERO c1nc(N2CCCC2)ncc1CNCCC[NH+]1CCCCC1 ZINC000075801856 1080255786 /nfs/dbraw/zinc/25/57/86/1080255786.db2.gz HMTQJOGZQGCBEI-UHFFFAOYSA-N 1 0 303.454 2.042 10 0 DEAERO [NH3+]Cc1nc2c(s1)CCN(C(=O)/C=C/c1cccs1)C2 ZINC000710166308 1080981973 /nfs/dbraw/zinc/98/19/73/1080981973.db2.gz JFHXEEJOKWAKBB-ONEGZZNKSA-N 1 0 305.428 2.261 10 0 DEAERO C[C@H](Cc1ccsc1)[N@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000081597597 1081125747 /nfs/dbraw/zinc/12/57/47/1081125747.db2.gz ZGOXOTGXQQLBBR-GFCCVEGCSA-N 1 0 323.462 2.331 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]C2(C3CC3)CCC2)C1 ZINC000717904035 1081742197 /nfs/dbraw/zinc/74/21/97/1081742197.db2.gz MHYRNDKMRIXLEQ-INIZCTEOSA-N 1 0 310.438 2.281 10 0 DEAERO Cc1coc(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000718029502 1081865799 /nfs/dbraw/zinc/86/57/99/1081865799.db2.gz HHABKGSEXZZZGB-ZDUSSCGKSA-N 1 0 310.394 2.314 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000721936560 1084583320 /nfs/dbraw/zinc/58/33/20/1084583320.db2.gz BVCMKZJFBGYOIE-ORIJERBGSA-N 1 0 323.481 2.457 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)C12CCC2 ZINC000720992271 1085280716 /nfs/dbraw/zinc/28/07/16/1085280716.db2.gz LPVWXVYOQAWOFC-XJFOESAGSA-N 1 0 310.438 2.183 10 0 DEAERO Cn1cc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c(Br)n1 ZINC000720657953 1085818533 /nfs/dbraw/zinc/81/85/33/1085818533.db2.gz XSACEWUTWVWGFV-NWDGAFQWSA-N 1 0 314.227 2.230 10 0 DEAERO Cn1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(Br)n1 ZINC000720657865 1085818590 /nfs/dbraw/zinc/81/85/90/1085818590.db2.gz VMRXBLNYRQGENH-MXWKQRLJSA-N 1 0 314.227 2.086 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cncc(Br)c1 ZINC000720819102 1086168962 /nfs/dbraw/zinc/16/89/62/1086168962.db2.gz YHHUWJOIPWKRBH-OLZOCXBDSA-N 1 0 324.222 2.153 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720833490 1086188407 /nfs/dbraw/zinc/18/84/07/1086188407.db2.gz FEXPXFRBDUEWKM-GFCCVEGCSA-N 1 0 302.827 2.006 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720837579 1086205562 /nfs/dbraw/zinc/20/55/62/1086205562.db2.gz PSVREADBJMDFEN-OUJBWJOFSA-N 1 0 314.227 2.230 10 0 DEAERO [NH3+]C[C@@H]1CN(C(=O)CCc2cccs2)C[C@H]1C(F)(F)F ZINC000720857911 1086303155 /nfs/dbraw/zinc/30/31/55/1086303155.db2.gz HPDMFSQCFIFVMV-MWLCHTKSSA-N 1 0 306.353 2.276 10 0 DEAERO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCOC1CCOCC1 ZINC000701381015 1086362989 /nfs/dbraw/zinc/36/29/89/1086362989.db2.gz IRWQWVIESZRVCN-QFBILLFUSA-N 1 0 318.461 2.292 10 0 DEAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCOC1CCOCC1 ZINC000701381017 1086363236 /nfs/dbraw/zinc/36/32/36/1086363236.db2.gz IRWQWVIESZRVCN-VQIMIIECSA-N 1 0 318.461 2.292 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H]2CCCSCC2)CO1 ZINC000703402274 1086496542 /nfs/dbraw/zinc/49/65/42/1086496542.db2.gz ZMSPVUFTFNWPSD-VXGBXAGGSA-N 1 0 302.440 2.413 10 0 DEAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc(Br)cc1)C2 ZINC000703562638 1086524746 /nfs/dbraw/zinc/52/47/46/1086524746.db2.gz SBOSULJZTDHCRG-SMDDNHRTSA-N 1 0 309.207 2.131 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccccc1S(=O)(=O)C(F)F ZINC000704698064 1086587207 /nfs/dbraw/zinc/58/72/07/1086587207.db2.gz UMZIMEJAGIFCGX-VHSXEESVSA-N 1 0 304.362 2.235 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)CS1 ZINC000705907131 1086628302 /nfs/dbraw/zinc/62/83/02/1086628302.db2.gz MYLKCHVJFPOQAM-CHWSQXEVSA-N 1 0 318.483 2.354 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707938602 1086674399 /nfs/dbraw/zinc/67/43/99/1086674399.db2.gz BRTMNYAMJSHOLA-FQKPHLNHSA-N 1 0 312.454 2.381 10 0 DEAERO C[C@@H](CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707941479 1086675410 /nfs/dbraw/zinc/67/54/10/1086675410.db2.gz PACFVYHBRQUNGC-XQLPTFJDSA-N 1 0 312.454 2.383 10 0 DEAERO CC(C)C[C@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)N(C)C ZINC000710871867 1086689735 /nfs/dbraw/zinc/68/97/35/1086689735.db2.gz BZYNJOWAEKBCES-OAHLLOKOSA-N 1 0 313.486 2.419 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000710968979 1086692603 /nfs/dbraw/zinc/69/26/03/1086692603.db2.gz VVUJEXYMAJMMGL-UAGQMJEPSA-N 1 0 304.434 2.391 10 0 DEAERO C[C@@H](Cn1ccnc1)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711409805 1087097290 /nfs/dbraw/zinc/09/72/90/1087097290.db2.gz DHUGUEXLIOMMQX-MELADBBJSA-N 1 0 308.426 2.165 10 0 DEAERO C[C@@H](CC(C)(C)O)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711476801 1087120615 /nfs/dbraw/zinc/12/06/15/1087120615.db2.gz PFZZDUBNVAXGTF-RWMBFGLXSA-N 1 0 300.443 2.429 10 0 DEAERO C[C@H](CO)CCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711494607 1087136539 /nfs/dbraw/zinc/13/65/39/1087136539.db2.gz ZMCZYBOWKRRTJY-MELADBBJSA-N 1 0 300.443 2.288 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711503207 1087142133 /nfs/dbraw/zinc/14/21/33/1087142133.db2.gz NCVBIPJAXKCMGF-SNVBAGLBSA-N 1 0 314.227 2.374 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cnccn3)CCC[C@@H]12 ZINC000711641652 1087184689 /nfs/dbraw/zinc/18/46/89/1087184689.db2.gz UHGLASDBAKOPMU-RHSMWYFYSA-N 1 0 318.421 2.498 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000711644369 1087185342 /nfs/dbraw/zinc/18/53/42/1087185342.db2.gz FOOJOOBXWMIAGW-KBPBESRZSA-N 1 0 314.838 2.211 10 0 DEAERO O=S(=O)(N[C@@H](C1CCC1)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000711868381 1087216981 /nfs/dbraw/zinc/21/69/81/1087216981.db2.gz XCLFTONCURUSOI-LSDHHAIUSA-N 1 0 300.468 2.017 10 0 DEAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1cnc2n1CCC2 ZINC000719117143 1088842320 /nfs/dbraw/zinc/84/23/20/1088842320.db2.gz QKLAKAUMWAYCHG-VXGBXAGGSA-N 1 0 308.426 2.221 10 0 DEAERO Cc1nc(CNC2CC([NH+](C)C)C2)sc1Br ZINC000719292417 1088932292 /nfs/dbraw/zinc/93/22/92/1088932292.db2.gz LQVBULIYSAICCU-UHFFFAOYSA-N 1 0 304.257 2.396 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000719391791 1089081651 /nfs/dbraw/zinc/08/16/51/1089081651.db2.gz BQFBEWBPHUFDQS-XVKPBYJWSA-N 1 0 301.184 2.173 10 0 DEAERO C[C@H]1[C@@H]([NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CCN1C ZINC000719573798 1089320075 /nfs/dbraw/zinc/32/00/75/1089320075.db2.gz XNEFBUNOXNYLFB-QPSCCSFWSA-N 1 0 311.470 2.314 10 0 DEAERO C[C@@H]1[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1C ZINC000719603770 1089326024 /nfs/dbraw/zinc/32/60/24/1089326024.db2.gz SRBJZKBJMQHTAK-SKDRFNHKSA-N 1 0 304.362 2.187 10 0 DEAERO Cc1coc(C[NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000718053115 1091414243 /nfs/dbraw/zinc/41/42/43/1091414243.db2.gz NXNDZKCNPNJBMM-UHFFFAOYSA-N 1 0 323.437 2.230 10 0 DEAERO Brc1cnccc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719092610 1091877890 /nfs/dbraw/zinc/87/78/90/1091877890.db2.gz WZZVKFWEOVDRSC-NSHDSACASA-N 1 0 313.195 2.039 10 0 DEAERO CN1CCCC[C@@H]1C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724038295 1143897453 /nfs/dbraw/zinc/89/74/53/1143897453.db2.gz YAIUWRUINPNCIL-ZJUUUORDSA-N 1 0 304.303 2.009 10 0 DEAERO Cc1noc(C)c1CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000148229444 282103641 /nfs/dbraw/zinc/10/36/41/282103641.db2.gz TVISKIZFGRYKNU-INIZCTEOSA-N 1 0 316.405 2.394 10 0 DEAERO CC[NH2+][C@@H](CSCC(=O)OC)c1cc(OC)ccc1OC ZINC000081793944 192324885 /nfs/dbraw/zinc/32/48/85/192324885.db2.gz GJTPMZIVUBLHCU-ZDUSSCGKSA-N 1 0 313.419 2.261 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nccn1C)OCCO2 ZINC000081841479 192329906 /nfs/dbraw/zinc/32/99/06/192329906.db2.gz OBHVBFGPDCIZBX-OLZOCXBDSA-N 1 0 311.451 2.176 10 0 DEAERO CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)Sc1nnnn1C ZINC000081843724 192329922 /nfs/dbraw/zinc/32/99/22/192329922.db2.gz NSSTYHNPVLNVFN-MFKMUULPSA-N 1 0 307.423 2.050 10 0 DEAERO CCC[NH2+][C@H]1c2ccccc2CC[C@H]1Sc1nnnn1C ZINC000081843314 192330514 /nfs/dbraw/zinc/33/05/14/192330514.db2.gz OBZVEEWCEKSJQO-KGLIPLIRSA-N 1 0 303.435 2.358 10 0 DEAERO CC[NH2+][C@@H](CSc1n[nH]c(=O)n1C)c1ccc(CC)cc1 ZINC000081882168 192333752 /nfs/dbraw/zinc/33/37/52/192333752.db2.gz MJFKPDOJCWCZOE-ZDUSSCGKSA-N 1 0 306.435 2.114 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1SCCCOC)OCCO2 ZINC000081887565 192334198 /nfs/dbraw/zinc/33/41/98/192334198.db2.gz LXNZOQXTHDCJDS-ZIAGYGMSSA-N 1 0 303.468 2.420 10 0 DEAERO C[NH2+][C@@H](c1ccccc1)[C@@H](C)Sc1n[nH]c(=O)n1C1CC1 ZINC000081880307 192334480 /nfs/dbraw/zinc/33/44/80/192334480.db2.gz CPUFKNDDIDYJPJ-ZWNOBZJWSA-N 1 0 304.419 2.348 10 0 DEAERO C[NH2+][C@@H](c1ccccc1)[C@H](Sc1n[nH]c(=O)n1C)C(C)C ZINC000081880535 192334646 /nfs/dbraw/zinc/33/46/46/192334646.db2.gz SLFWPDLUCTUOLB-QWHCGFSZSA-N 1 0 306.435 2.186 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)c1ccc(OC)cc1)c1ccccc1 ZINC000081923336 192340406 /nfs/dbraw/zinc/34/04/06/192340406.db2.gz FVAIDCKWNZZVJL-MRXNPFEDSA-N 1 0 305.399 2.430 10 0 DEAERO c1coc(C[N@H+](CCOC2CCOCC2)C[C@@H]2CCCO2)c1 ZINC000625101344 365643898 /nfs/dbraw/zinc/64/38/98/365643898.db2.gz PHDRJNAEHLVUHI-KRWDZBQOSA-N 1 0 309.406 2.456 10 0 DEAERO COCCn1ncc(Br)c1[C@]1(C)CC[C@@H]([NH3+])C1 ZINC000163306461 197622853 /nfs/dbraw/zinc/62/28/53/197622853.db2.gz JJGNNQCLLLYLBJ-BXKDBHETSA-N 1 0 302.216 2.061 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@@](C)(CC)OC)c1Br ZINC000163411701 197629161 /nfs/dbraw/zinc/62/91/61/197629161.db2.gz RWRMCOSJTDFEPY-DGCLKSJQSA-N 1 0 318.259 2.430 10 0 DEAERO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC1=CCCC1 ZINC000152070443 282134342 /nfs/dbraw/zinc/13/43/42/282134342.db2.gz DTLXFDLOFSIWJI-MRXNPFEDSA-N 1 0 309.454 2.239 10 0 DEAERO CC[C@@H](C)S(=O)(=O)C[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081937324 192343201 /nfs/dbraw/zinc/34/32/01/192343201.db2.gz IJTVZBXTFSRSAC-YPMHNXCESA-N 1 0 313.419 2.061 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)CCC2CC[NH2+]CC2)CC1 ZINC000079348557 185165774 /nfs/dbraw/zinc/16/57/74/185165774.db2.gz DFTYJUGQLGEZNK-CQSZACIVSA-N 1 0 302.484 2.218 10 0 DEAERO COC(=O)C[C@@H](NC(=O)CC[C@@H](C)CC[NH3+])c1cccs1 ZINC000079190575 185161323 /nfs/dbraw/zinc/16/13/23/185161323.db2.gz DBVBAYARKKPZQY-VXGBXAGGSA-N 1 0 312.435 2.234 10 0 DEAERO CC[C@H](C)[C@H](NC(=O)CC[C@@H](CC[NH3+])C(C)C)C(=O)OC ZINC000079276424 185162943 /nfs/dbraw/zinc/16/29/43/185162943.db2.gz UYYSOLNSFJPKMX-YDHLFZDLSA-N 1 0 300.443 2.092 10 0 DEAERO CC[C@@H](C)[C@H](NC(=O)CC[C@@H](CC[NH3+])C(C)C)C(=O)OC ZINC000079276422 185163039 /nfs/dbraw/zinc/16/30/39/185163039.db2.gz UYYSOLNSFJPKMX-IPYPFGDCSA-N 1 0 300.443 2.092 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])s2)CC1 ZINC000079358090 185166872 /nfs/dbraw/zinc/16/68/72/185166872.db2.gz KDHLEYNRBISMBW-NSHDSACASA-N 1 0 302.465 2.408 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCC[C@H](C(C)C)CC1 ZINC000079358406 185166994 /nfs/dbraw/zinc/16/69/94/185166994.db2.gz HZKPHKJNZPUTQC-HNNXBMFYSA-N 1 0 304.500 2.462 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000152912144 282157363 /nfs/dbraw/zinc/15/73/63/282157363.db2.gz JRIGINWMMVBJQW-GOEBONIOSA-N 1 0 322.449 2.039 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)NC1)c1sccc1Br ZINC000082515153 185189421 /nfs/dbraw/zinc/18/94/21/185189421.db2.gz BYGREOYJVOHAEO-JGVFFNPUSA-N 1 0 303.225 2.440 10 0 DEAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH2+]C)[C@H](S(=O)(=O)CCOC)C1 ZINC000081944663 192346184 /nfs/dbraw/zinc/34/61/84/192346184.db2.gz IIPPEUPDDFSJHX-MGPQQGTHSA-N 1 0 305.484 2.241 10 0 DEAERO CCCCS(=O)(=O)[C@@H]1CCc2cc(OC)ccc2[C@H]1[NH2+]C ZINC000081973214 192347271 /nfs/dbraw/zinc/34/72/71/192347271.db2.gz GBBVALLBLOVAAD-HZPDHXFCSA-N 1 0 311.447 2.485 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)ccc1SCC(=O)OC ZINC000165221404 197671939 /nfs/dbraw/zinc/67/19/39/197671939.db2.gz OWLQWBUXWDXBRD-UHFFFAOYSA-N 1 0 303.811 2.341 10 0 DEAERO C[C@@H]([NH3+])C[C@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000082798602 185204870 /nfs/dbraw/zinc/20/48/70/185204870.db2.gz QZESRPRTWYBLJR-BDAKNGLRSA-N 1 0 306.225 2.349 10 0 DEAERO C[C@H](C[C@H](C)[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000082798463 185204885 /nfs/dbraw/zinc/20/48/85/185204885.db2.gz NZKJXFQPSVVKOQ-DTWKUNHWSA-N 1 0 306.225 2.349 10 0 DEAERO C[C@@H]([NH3+])C[C@@H](C)S(=O)(=O)c1ccc(Br)cc1 ZINC000082798464 185205108 /nfs/dbraw/zinc/20/51/08/185205108.db2.gz NZKJXFQPSVVKOQ-RKDXNWHRSA-N 1 0 306.225 2.349 10 0 DEAERO [NH3+][C@H]1CC[C@H](S(=O)(=O)c2ccccc2Br)C1 ZINC000082820012 185208465 /nfs/dbraw/zinc/20/84/65/185208465.db2.gz IYHPVQZMSZLMGP-IUCAKERBSA-N 1 0 304.209 2.103 10 0 DEAERO C[C@H](C[C@@](C)([NH3+])CO)Sc1ccc(Br)cn1 ZINC000082905394 185209539 /nfs/dbraw/zinc/20/95/39/185209539.db2.gz VIQYRORYJYBIGY-LDYMZIIASA-N 1 0 305.241 2.425 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ncc(Br)s1 ZINC000082920889 185209575 /nfs/dbraw/zinc/20/95/75/185209575.db2.gz WYQUQIYSROUQDL-RQJHMYQMSA-N 1 0 304.213 2.362 10 0 DEAERO C[C@H](CNC(=O)N1CCC[C@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC000171696887 282181302 /nfs/dbraw/zinc/18/13/02/282181302.db2.gz YNPUFKWUQYKNFF-MNOVXSKESA-N 1 0 307.360 2.453 10 0 DEAERO CC(C)[C@H](C[NH3+])NC(=O)c1cc(Br)ccc1F ZINC000087403314 185223600 /nfs/dbraw/zinc/22/36/00/185223600.db2.gz LIHVLJCZKNCZHQ-NSHDSACASA-N 1 0 303.175 2.301 10 0 DEAERO C[NH+](C)CCSc1nc(Br)cn2ccnc12 ZINC000087416986 185224313 /nfs/dbraw/zinc/22/43/13/185224313.db2.gz FLGMCAXBYWDELT-UHFFFAOYSA-N 1 0 301.213 2.146 10 0 DEAERO CCc1nnsc1C(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000087455323 185225695 /nfs/dbraw/zinc/22/56/95/185225695.db2.gz HNHQQJORHDYYMI-NSHDSACASA-N 1 0 308.451 2.285 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328673450 231301537 /nfs/dbraw/zinc/30/15/37/231301537.db2.gz PCLVPEKRBKSMSB-QLFBSQMISA-N 1 0 307.438 2.361 10 0 DEAERO CC[C@H](C[NH3+])C(=O)NCc1cc(F)ccc1Br ZINC000087528676 185227649 /nfs/dbraw/zinc/22/76/49/185227649.db2.gz WEEPZQIQSJCTTI-MRVPVSSYSA-N 1 0 303.175 2.189 10 0 DEAERO CC[NH2+][C@H]1CCN(Cc2sccc2Br)C1=O ZINC000087575884 185228587 /nfs/dbraw/zinc/22/85/87/185228587.db2.gz NFSMFDKZRWXPDC-VIFPVBQESA-N 1 0 303.225 2.221 10 0 DEAERO Cc1cc(CNS(=O)(=O)c2ccc(C[NH3+])cc2)sc1C ZINC000087581618 185229027 /nfs/dbraw/zinc/22/90/27/185229027.db2.gz JPBOAXVRBYDQHB-UHFFFAOYSA-N 1 0 310.444 2.302 10 0 DEAERO COc1ccc(Br)c(C[C@]2(C[NH3+])CCOC2)c1 ZINC000087797209 185232217 /nfs/dbraw/zinc/23/22/17/185232217.db2.gz CTNNFPAXGHMECT-ZDUSSCGKSA-N 1 0 300.196 2.366 10 0 DEAERO CC(C)([NH3+])C(C)(C)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000087627899 185229465 /nfs/dbraw/zinc/22/94/65/185229465.db2.gz XVIQTYAQMQDGLQ-UHFFFAOYSA-N 1 0 309.479 2.156 10 0 DEAERO CCC[C@H](C[NH3+])N1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000087639725 185229854 /nfs/dbraw/zinc/22/98/54/185229854.db2.gz NYSXRGUEBSMIMC-GFCCVEGCSA-N 1 0 311.499 2.085 10 0 DEAERO COC(=O)CCN(CC(C)C)C(=O)[C@@H](C)CCC[C@H](C)[NH3+] ZINC000087696522 185230682 /nfs/dbraw/zinc/23/06/82/185230682.db2.gz IANCCLMSKKBLTL-KBPBESRZSA-N 1 0 300.443 2.188 10 0 DEAERO Cc1nnc(SCc2ccn(C3CCCC3)n2)n1CC[NH3+] ZINC000087711345 185230878 /nfs/dbraw/zinc/23/08/78/185230878.db2.gz ZZZFOFHKNALKNL-UHFFFAOYSA-N 1 0 306.439 2.149 10 0 DEAERO OCC[N@@H+]1CCCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000087765530 185231382 /nfs/dbraw/zinc/23/13/82/185231382.db2.gz ASHYUEDMWVTDHJ-UHFFFAOYSA-N 1 0 303.233 2.493 10 0 DEAERO NNc1nc(NC[C@H]2CCCCS2)c(Br)c[nH+]1 ZINC000087896228 185235741 /nfs/dbraw/zinc/23/57/41/185235741.db2.gz CILVBBOMICYFHC-SSDOTTSWSA-N 1 0 318.244 2.222 10 0 DEAERO CC(C)C[NH2+][C@H](CN)c1cc2c(c(Br)c1)OCO2 ZINC000087911529 185237450 /nfs/dbraw/zinc/23/74/50/185237450.db2.gz GAJQBDORWQSPKP-LLVKDONJSA-N 1 0 315.211 2.423 10 0 DEAERO COc1ccc([C@H](C[NH3+])NC[C@H]2CCCO2)c(Cl)c1OC ZINC000087928376 185237750 /nfs/dbraw/zinc/23/77/50/185237750.db2.gz KLWSVUSCUNMGSP-PWSUYJOCSA-N 1 0 314.813 2.126 10 0 DEAERO [NH3+]C[C@H](NC[C@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000087928233 185237776 /nfs/dbraw/zinc/23/77/76/185237776.db2.gz IMCXOBCUIMZHEA-MFKMUULPSA-N 1 0 317.202 2.357 10 0 DEAERO C[C@@](C[NH3+])(CCc1ccc2c(c1)OCO2)NCC(F)(F)F ZINC000087929683 185237779 /nfs/dbraw/zinc/23/77/79/185237779.db2.gz PLIFFRMRMUYIHN-ZDUSSCGKSA-N 1 0 304.312 2.217 10 0 DEAERO C[C@H](C[NH3+])CC(=O)N(C)Cc1cc(Br)cs1 ZINC000087984340 185238079 /nfs/dbraw/zinc/23/80/79/185238079.db2.gz IKGMWZNHHLMIFJ-QMMMGPOBSA-N 1 0 305.241 2.454 10 0 DEAERO COc1ccc(Br)cc1C[S@@](=O)[C@H](C)C[NH3+] ZINC000088067720 185238721 /nfs/dbraw/zinc/23/87/21/185238721.db2.gz VPLSQOFRBDTANI-BCTVWOGZSA-N 1 0 306.225 2.054 10 0 DEAERO COc1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1C(N)=S ZINC000087832393 185232639 /nfs/dbraw/zinc/23/26/39/185232639.db2.gz KTQWLKJWMIYERM-ZDUSSCGKSA-N 1 0 308.447 2.066 10 0 DEAERO COCC1CC[NH+](Cc2ccc(OC)c(C(N)=S)c2)CC1 ZINC000087832680 185232882 /nfs/dbraw/zinc/23/28/82/185232882.db2.gz LWQMVYUXFZCEPU-UHFFFAOYSA-N 1 0 308.447 2.188 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2nc(N)sc2c1 ZINC000087847539 185233239 /nfs/dbraw/zinc/23/32/39/185233239.db2.gz UNJRIGRTWZSXSN-LLVKDONJSA-N 1 0 304.419 2.093 10 0 DEAERO COCC[N@H+](Cc1ccc2nc(N)sc2c1)[C@H](C)COC ZINC000087848108 185233273 /nfs/dbraw/zinc/23/32/73/185233273.db2.gz UIJYNERWZGPLSQ-LLVKDONJSA-N 1 0 309.435 2.362 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Br)cc1F)[C@H]1COCCO1 ZINC000087857557 185233543 /nfs/dbraw/zinc/23/35/43/185233543.db2.gz DJGBLSOTWDTMOV-QWHCGFSZSA-N 1 0 318.186 2.134 10 0 DEAERO CCCCN(c1nc(NN)[nH+]cc1Br)C1CC1 ZINC000087864607 185233962 /nfs/dbraw/zinc/23/39/62/185233962.db2.gz AJOPEIJZBDNOJT-UHFFFAOYSA-N 1 0 300.204 2.294 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000171508538 282196864 /nfs/dbraw/zinc/19/68/64/282196864.db2.gz XQOFQSBLGVFTED-GFCCVEGCSA-N 1 0 300.324 2.410 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c1 ZINC000088321415 185245470 /nfs/dbraw/zinc/24/54/70/185245470.db2.gz FEYQFJYGOHYGMN-WPRPVWTQSA-N 1 0 313.195 2.252 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@H](C)CC(C)C)o1 ZINC000088544375 185256857 /nfs/dbraw/zinc/25/68/57/185256857.db2.gz AGLIMYLQHCWSLK-GFCCVEGCSA-N 1 0 302.440 2.444 10 0 DEAERO C[C@@H]1CCCCC[C@H]1NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000088516018 185254612 /nfs/dbraw/zinc/25/46/12/185254612.db2.gz VFOOBNFOSXJGGI-QLFBSQMISA-N 1 0 302.484 2.407 10 0 DEAERO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088541002 185255615 /nfs/dbraw/zinc/25/56/15/185255615.db2.gz KQHJLMZWLLCKLE-NWDGAFQWSA-N 1 0 302.440 2.444 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)CC(C)C)o1 ZINC000088542283 185256234 /nfs/dbraw/zinc/25/62/34/185256234.db2.gz LJBRIYBWSWWRMD-GFCCVEGCSA-N 1 0 302.440 2.492 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C)o1 ZINC000088544001 185256558 /nfs/dbraw/zinc/25/65/58/185256558.db2.gz TVNRLUYUZVPHKN-NEPJUHHUSA-N 1 0 300.424 2.198 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(CC)CC(C)C)o1 ZINC000088543607 185256603 /nfs/dbraw/zinc/25/66/03/185256603.db2.gz ZNPXAAYDDGEPSY-UHFFFAOYSA-N 1 0 302.440 2.446 10 0 DEAERO CCC[NH2+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)CCCOC ZINC000081985401 192348791 /nfs/dbraw/zinc/34/87/91/192348791.db2.gz HTOVQRYAHNLWFC-CVEARBPZSA-N 1 0 311.447 2.103 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982901 192349129 /nfs/dbraw/zinc/34/91/29/192349129.db2.gz MALSJWIGRFPKLF-WDEREUQCSA-N 1 0 304.209 2.103 10 0 DEAERO CC[NH2+][C@H](Cc1csc(C)n1)Cc1ncnn1CC(C)C ZINC000088611928 185260024 /nfs/dbraw/zinc/26/00/24/185260024.db2.gz WEVDTBTTWFWGAD-CYBMUJFWSA-N 1 0 307.467 2.462 10 0 DEAERO CC(C)[NH2+]Cc1nnc(-c2cccc(S(C)(=O)=O)c2)s1 ZINC000088814593 185266442 /nfs/dbraw/zinc/26/64/42/185266442.db2.gz VDRLTQKPNUPIIU-UHFFFAOYSA-N 1 0 311.432 2.107 10 0 DEAERO CCC[C@@H](C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000179148285 282216338 /nfs/dbraw/zinc/21/63/38/282216338.db2.gz WSPRYLBDFAPRLW-OLZOCXBDSA-N 1 0 315.458 2.136 10 0 DEAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081990488 192351242 /nfs/dbraw/zinc/35/12/42/192351242.db2.gz NTUIZPBNIKXCAM-BMFZPTHFSA-N 1 0 317.495 2.383 10 0 DEAERO COC(OC)[C@](C)(C[NH3+])Nc1cccc(Br)c1 ZINC000090266749 185288338 /nfs/dbraw/zinc/28/83/38/185288338.db2.gz GPGIMSPEUSFZIR-LBPRGKRZSA-N 1 0 303.200 2.197 10 0 DEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1csc(-c2ccccn2)n1 ZINC000090327663 185291364 /nfs/dbraw/zinc/29/13/64/185291364.db2.gz GEEGDZAUVWVWDC-BZPMIXESSA-N 1 0 300.431 2.245 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1ccccc1Cl ZINC000090333203 185291580 /nfs/dbraw/zinc/29/15/80/185291580.db2.gz WBORFSHLDQDDQR-LALPHHSUSA-N 1 0 307.825 2.208 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090337890 185291911 /nfs/dbraw/zinc/29/19/11/185291911.db2.gz GFTLBTNHJPJPPH-NWDGAFQWSA-N 1 0 308.809 2.499 10 0 DEAERO CC(C)OCCN(C)[C@H](C[NH3+])c1cncc(Br)c1 ZINC000166166217 197689028 /nfs/dbraw/zinc/68/90/28/197689028.db2.gz CDAJUISZXSNTOI-CYBMUJFWSA-N 1 0 316.243 2.201 10 0 DEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000090487264 185298867 /nfs/dbraw/zinc/29/88/67/185298867.db2.gz CTJJZSAWDAWTTC-NEPJUHHUSA-N 1 0 302.296 2.268 10 0 DEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(OCC)c(Cl)c1 ZINC000090489785 185298929 /nfs/dbraw/zinc/29/89/29/185298929.db2.gz XFAAZPHIQMEAPZ-YPMHNXCESA-N 1 0 312.797 2.302 10 0 DEAERO C[C@H](CN1C[C@H](C2CC2)[NH2+]C[C@@H]1c1ccccc1)[S@](C)=O ZINC000166367016 197692134 /nfs/dbraw/zinc/69/21/34/197692134.db2.gz FTLZKRSNBDOQNG-TXRZWFJJSA-N 1 0 306.475 2.179 10 0 DEAERO Cc1nc(-c2ccc(NC(=O)[C@@H]3COC[C@@H]3[NH3+])cc2)cs1 ZINC000090383766 185293809 /nfs/dbraw/zinc/29/38/09/185293809.db2.gz XRQXSSPUZHSRHB-OLZOCXBDSA-N 1 0 303.387 2.031 10 0 DEAERO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333566850 282957569 /nfs/dbraw/zinc/95/75/69/282957569.db2.gz MAFJKGZSRCXHOU-BRWVUGGUSA-N 1 0 317.433 2.348 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1CN(C)Cc1csc(Br)c1 ZINC000090438870 185296716 /nfs/dbraw/zinc/29/67/16/185296716.db2.gz SKUHFFIWKCZFGR-QWRGUYRKSA-N 1 0 319.268 2.177 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(Cl)c3cccnc23)COC[C@H]1[NH3+] ZINC000090589703 185305514 /nfs/dbraw/zinc/30/55/14/185305514.db2.gz MTZFWSUPRIBARV-DOMZBBRYSA-N 1 0 305.765 2.191 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(Cl)c3cccnc23)COC[C@H]1[NH3+] ZINC000090589704 185305565 /nfs/dbraw/zinc/30/55/65/185305565.db2.gz MTZFWSUPRIBARV-IUODEOHRSA-N 1 0 305.765 2.191 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(F)c(F)c1F ZINC000090538600 185301634 /nfs/dbraw/zinc/30/16/34/185301634.db2.gz JHXSYTJGBXASJF-KWQFWETISA-N 1 0 302.296 2.057 10 0 DEAERO COC(=O)C1CCC(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000179482303 282226991 /nfs/dbraw/zinc/22/69/91/282226991.db2.gz PFTXDJFCNPWFRV-QQFBHYJXSA-N 1 0 324.465 2.202 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000090541675 185301934 /nfs/dbraw/zinc/30/19/34/185301934.db2.gz SPTJVUKBPXOLSG-BFHYXJOUSA-N 1 0 308.447 2.426 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N1CCSc2ccccc21 ZINC000090543503 185301995 /nfs/dbraw/zinc/30/19/95/185301995.db2.gz AOAXGGSRJOUNJY-STQMWFEESA-N 1 0 306.431 2.140 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000090544905 185302014 /nfs/dbraw/zinc/30/20/14/185302014.db2.gz DATDTWSSJWVOIV-BFHYXJOUSA-N 1 0 308.447 2.256 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCc2sccc2[C@@H]1C ZINC000090542661 185302210 /nfs/dbraw/zinc/30/22/10/185302210.db2.gz OFFFIVOSVWAIFV-FPMFFAJLSA-N 1 0 308.447 2.208 10 0 DEAERO C[C@@]1(c2nc(Cc3ccc(F)cc3Cl)no2)COC[C@H]1[NH3+] ZINC000090573795 185304296 /nfs/dbraw/zinc/30/42/96/185304296.db2.gz MQGCAMZQXGNLPF-BXUZGUMPSA-N 1 0 311.744 2.068 10 0 DEAERO C[C@@]1(c2nc(-c3ccccc3Br)no2)COC[C@@H]1[NH3+] ZINC000090573560 185304326 /nfs/dbraw/zinc/30/43/26/185304326.db2.gz OJEOYUVIUKZKHG-GXFFZTMASA-N 1 0 324.178 2.114 10 0 DEAERO C[C@]1(c2nc(-c3cccc(Br)c3)no2)COC[C@H]1[NH3+] ZINC000090573276 185304477 /nfs/dbraw/zinc/30/44/77/185304477.db2.gz ASBOYPHYQXASTQ-MFKMUULPSA-N 1 0 324.178 2.114 10 0 DEAERO O=C(N1CCCSC[C@@H]1C[NH+]1CCCCC1)C(F)(F)F ZINC000090701669 185310445 /nfs/dbraw/zinc/31/04/45/185310445.db2.gz DONQMCAHUDXZHQ-NSHDSACASA-N 1 0 310.385 2.369 10 0 DEAERO O=C(c1ccccn1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700856 185310492 /nfs/dbraw/zinc/31/04/92/185310492.db2.gz XGPDIKUZOFIWEA-AWEZNQCLSA-N 1 0 305.447 2.125 10 0 DEAERO [NH3+]CC1(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCC1 ZINC000166819709 197699765 /nfs/dbraw/zinc/69/97/65/197699765.db2.gz QGVUIBISHWCWQQ-UHFFFAOYSA-N 1 0 307.825 2.118 10 0 DEAERO Cc1nn(C)c(Cl)c1C[C@H]([NH3+])[C@H]1COc2ccccc2O1 ZINC000167249414 197705025 /nfs/dbraw/zinc/70/50/25/197705025.db2.gz OTTAJGYWVDZTHV-SMDDNHRTSA-N 1 0 307.781 2.092 10 0 DEAERO C[C@H](CC[NH3+])S(=O)(=O)Cc1ccc(F)cc1Br ZINC000166980087 197702037 /nfs/dbraw/zinc/70/20/37/197702037.db2.gz OZFYCVXVYWBVMR-MRVPVSSYSA-N 1 0 324.215 2.240 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ncccc1C(F)(F)F ZINC000092459006 185319989 /nfs/dbraw/zinc/31/99/89/185319989.db2.gz UIMRMDIAFKPLPS-WDEREUQCSA-N 1 0 313.323 2.409 10 0 DEAERO CCC(CC)[C@@H](O)CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000124251958 282240689 /nfs/dbraw/zinc/24/06/89/282240689.db2.gz TUHNZLAWQVWIOY-CVEARBPZSA-N 1 0 313.486 2.203 10 0 DEAERO C[N@@H+]1CCC[C@H](n2c(N)nc3cc(Br)cnc32)C1 ZINC000092575398 185326886 /nfs/dbraw/zinc/32/68/86/185326886.db2.gz GYCLNUQPYSASEA-VIFPVBQESA-N 1 0 310.199 2.043 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1ccc(OC)c(F)c1 ZINC000167501925 197709327 /nfs/dbraw/zinc/70/93/27/197709327.db2.gz XZCWPEBOWRIJNN-ZDUSSCGKSA-N 1 0 303.399 2.310 10 0 DEAERO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3cncn3)CC2)o1 ZINC000092647662 185331394 /nfs/dbraw/zinc/33/13/94/185331394.db2.gz UDRNEVSPBBNTKA-UHFFFAOYSA-N 1 0 312.377 2.407 10 0 DEAERO CCn1nc(C)c(Br)c1CC(=O)CCC[NH2+]C ZINC000167560735 197710750 /nfs/dbraw/zinc/71/07/50/197710750.db2.gz POQDYQJMUPSZHP-UHFFFAOYSA-N 1 0 302.216 2.085 10 0 DEAERO CCCn1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1C[NH3+] ZINC000092833287 185344971 /nfs/dbraw/zinc/34/49/71/185344971.db2.gz FALBSYNTOWRCBW-UHFFFAOYSA-N 1 0 313.467 2.070 10 0 DEAERO C[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)c1cccs1 ZINC000092911498 185348702 /nfs/dbraw/zinc/34/87/02/185348702.db2.gz FOMAYDKIZYFFIX-UKRRQHHQSA-N 1 0 323.439 2.416 10 0 DEAERO C[NH2+][C@@](CO)(CCn1cc(Br)cn1)c1ccccc1 ZINC000168382115 197721976 /nfs/dbraw/zinc/72/19/76/197721976.db2.gz ONFMRLDDYBAZKI-CQSZACIVSA-N 1 0 324.222 2.143 10 0 DEAERO COCCN(CCOC)c1cccc(Br)c1C[NH3+] ZINC000168285852 197720820 /nfs/dbraw/zinc/72/08/20/197720820.db2.gz OYBLIVKNAIDBLX-UHFFFAOYSA-N 1 0 317.227 2.007 10 0 DEAERO C[C@@]1(C(=O)Cc2cc(F)ccc2Br)COC[C@H]1[NH3+] ZINC000168457340 197723793 /nfs/dbraw/zinc/72/37/93/197723793.db2.gz VYMJDUGDXQDWCG-DGCLKSJQSA-N 1 0 316.170 2.064 10 0 DEAERO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2ccccc2)C[C@H](C)O1 ZINC000021055182 539330153 /nfs/dbraw/zinc/33/01/53/539330153.db2.gz GQPZJPSDPJGYDJ-GASCZTMLSA-N 1 0 304.434 2.233 10 0 DEAERO Cc1ccc(Br)c(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3[C@@H]2C)c1 ZINC000169046494 197732150 /nfs/dbraw/zinc/73/21/50/197732150.db2.gz NVUAVWFDLRUACA-GVXVVHGQSA-N 1 0 323.234 2.437 10 0 DEAERO C[C@]1(c2cncn2-c2ccc(Br)cn2)CC[NH2+]C1 ZINC000097014096 185397275 /nfs/dbraw/zinc/39/72/75/185397275.db2.gz HJUIZFDGKWZEBI-ZDUSSCGKSA-N 1 0 307.195 2.281 10 0 DEAERO COc1ccc(Br)cc1-n1cncc1C1C[NH2+]C1 ZINC000097023377 185398912 /nfs/dbraw/zinc/39/89/12/185398912.db2.gz OUCSHBLOWIGZDO-UHFFFAOYSA-N 1 0 308.179 2.330 10 0 DEAERO O=C(NC1CC[NH+](CC2CC2)CC1)c1cn2ccnc2s1 ZINC000188337072 282298029 /nfs/dbraw/zinc/29/80/29/282298029.db2.gz BMSZXSFWXGVHHH-UHFFFAOYSA-N 1 0 304.419 2.000 10 0 DEAERO CC(=O)Nc1ccc(C)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000188365087 282298483 /nfs/dbraw/zinc/29/84/83/282298483.db2.gz GKOLZQCSFHZRFT-GUYCJALGSA-N 1 0 317.433 2.412 10 0 DEAERO CCOc1cc([C@H]2NN=C3CC[NH2+]C[C@H]32)cc(Cl)c1OC ZINC000169966015 197763164 /nfs/dbraw/zinc/76/31/64/197763164.db2.gz BOHAACCWMUQXQE-QMTHXVAHSA-N 1 0 309.797 2.357 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccnc(N4CCCCC4)n3)C[C@@H]21 ZINC000333580343 282963095 /nfs/dbraw/zinc/96/30/95/282963095.db2.gz UDMZKEKVZWHMBJ-SOUVJXGZSA-N 1 0 301.438 2.031 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCS[C@H](C)CC1 ZINC000192257560 282340382 /nfs/dbraw/zinc/34/03/82/282340382.db2.gz FRVILQAKINOQKE-ZIAGYGMSSA-N 1 0 301.500 2.500 10 0 DEAERO COC(=O)C(C)(C)[C@H]([NH2+]C[C@H](O)CSC)c1ccccc1 ZINC000614567748 362410078 /nfs/dbraw/zinc/41/00/78/362410078.db2.gz LJHWGIHIKOMXGL-UONOGXRCSA-N 1 0 311.447 2.240 10 0 DEAERO [NH2+]=C(Nc1cccc(I)c1)NC1CC1 ZINC000052069071 190682084 /nfs/dbraw/zinc/68/20/84/190682084.db2.gz HPUHNRUKTIPCHH-UHFFFAOYSA-N 1 0 301.131 2.390 10 0 DEAERO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCOC(F)F ZINC000194039581 282361386 /nfs/dbraw/zinc/36/13/86/282361386.db2.gz QGTFBZGGBGBSOW-QMMMGPOBSA-N 1 0 312.158 2.253 10 0 DEAERO C(C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1)OC1CCOCC1 ZINC000625485015 365804153 /nfs/dbraw/zinc/80/41/53/365804153.db2.gz QXLQWSBFNGONLD-QGZVFWFLSA-N 1 0 309.450 2.463 10 0 DEAERO Cc1noc(C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)n1 ZINC000237740670 282394404 /nfs/dbraw/zinc/39/44/04/282394404.db2.gz KYBYZGHOYOKQAK-KKUMJFAQSA-N 1 0 318.421 2.005 10 0 DEAERO C[C@@H]1CC(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000122565578 539462230 /nfs/dbraw/zinc/46/22/30/539462230.db2.gz ZORZOELOJGUGSB-CKEIUWERSA-N 1 0 304.434 2.232 10 0 DEAERO CCc1cnc(CCNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)s1 ZINC000126316616 539477030 /nfs/dbraw/zinc/47/70/30/539477030.db2.gz FJXXEGHZVGPUGF-VXGBXAGGSA-N 1 0 322.478 2.172 10 0 DEAERO O=C(N1CCC[C@@H](C(F)(F)F)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244663 185563346 /nfs/dbraw/zinc/56/33/46/185563346.db2.gz SWKVPNOHTTWHPI-SCZZXKLOSA-N 1 0 318.261 2.329 10 0 DEAERO COc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1OC(F)F ZINC000111266915 185569171 /nfs/dbraw/zinc/56/91/71/185569171.db2.gz OCSKHLYOXGKNND-WPRPVWTQSA-N 1 0 300.305 2.091 10 0 DEAERO C[C@@H]([NH3+])Cc1c(N(C)Cc2cccnc2)nc2sccn21 ZINC000111494039 185609108 /nfs/dbraw/zinc/60/91/08/185609108.db2.gz RDQLOAKFLBUADW-LLVKDONJSA-N 1 0 301.419 2.317 10 0 DEAERO C[C@H]([NH3+])Cc1ccccc1N1CCN(CC(F)(F)F)CC1 ZINC000111500063 185609521 /nfs/dbraw/zinc/60/95/21/185609521.db2.gz DHOZHOUOWCKLHE-LBPRGKRZSA-N 1 0 301.356 2.261 10 0 DEAERO C[C@@H]([NH3+])Cc1c(N(C)C[C@@H]2CCCCO2)nc2sccn12 ZINC000111502390 185610089 /nfs/dbraw/zinc/61/00/89/185610089.db2.gz XGBKTWMCRCJHFD-NEPJUHHUSA-N 1 0 308.451 2.291 10 0 DEAERO CN(C(=O)c1cncc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000231474830 201888286 /nfs/dbraw/zinc/88/82/86/201888286.db2.gz AJXPYUMZRBYHAH-LBPRGKRZSA-N 1 0 312.211 2.058 10 0 DEAERO C[NH2+][C@@H](C)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000111714412 185629285 /nfs/dbraw/zinc/62/92/85/185629285.db2.gz WBSBSXUNWZFLIY-AWEZNQCLSA-N 1 0 310.463 2.312 10 0 DEAERO CC[NH2+][C@@H](C)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000111714510 185629317 /nfs/dbraw/zinc/62/93/17/185629317.db2.gz YDCNORAOAZBJBJ-LBPRGKRZSA-N 1 0 314.426 2.224 10 0 DEAERO CC(C)C[NH2+]C[C@@H]1CCCN1c1ncc(Br)cn1 ZINC000111751436 185633193 /nfs/dbraw/zinc/63/31/93/185633193.db2.gz IXWIJLBLMNLNFA-LBPRGKRZSA-N 1 0 313.243 2.454 10 0 DEAERO NC(=O)NC(=O)C[NH2+][C@H](CC1CCCCC1)c1ccccc1 ZINC000181829098 199358370 /nfs/dbraw/zinc/35/83/70/199358370.db2.gz IQRAICQBYLVXSI-OAHLLOKOSA-N 1 0 303.406 2.483 10 0 DEAERO CS[C@@H]1CN(C(=O)Nc2ccc(C)nc2)C[C@H]1[NH+]1CCCC1 ZINC000615932976 362735129 /nfs/dbraw/zinc/73/51/29/362735129.db2.gz XKDHRBJJEYVZDH-HUUCEWRRSA-N 1 0 320.462 2.434 10 0 DEAERO C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000155370302 539559140 /nfs/dbraw/zinc/55/91/40/539559140.db2.gz VKSHVJUOVMTKRE-CHWSQXEVSA-N 1 0 316.380 2.176 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000155525820 539559443 /nfs/dbraw/zinc/55/94/43/539559443.db2.gz RVJKAQRQEHCGRU-VXGBXAGGSA-N 1 0 303.381 2.401 10 0 DEAERO C[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000249026433 282544717 /nfs/dbraw/zinc/54/47/17/282544717.db2.gz ANJIPJOSQHDHJO-BZUAXINKSA-N 1 0 311.470 2.101 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3cc(OC)ccc3n2)C1 ZINC000121467104 185804969 /nfs/dbraw/zinc/80/49/69/185804969.db2.gz OECORIYFLVIPGG-ZDUSSCGKSA-N 1 0 313.401 2.315 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)Nc2cc(F)ccc2F)CC[N@@H+]1C ZINC000123809969 185844288 /nfs/dbraw/zinc/84/42/88/185844288.db2.gz GMSCNEWRKVPXHI-DGCLKSJQSA-N 1 0 311.376 2.318 10 0 DEAERO CCC[NH2+][C@@H](CCO)C[S@@](=O)c1ccc(F)c(Cl)c1 ZINC000126871668 185899504 /nfs/dbraw/zinc/89/95/04/185899504.db2.gz SPWVTHYEWGQANU-OVWNDWIMSA-N 1 0 307.818 2.337 10 0 DEAERO CCN1CCO[C@H](C[NH2+]C)[C@@H]1c1cc(Br)cs1 ZINC000070288084 190877444 /nfs/dbraw/zinc/87/74/44/190877444.db2.gz CWERJJVBYQPUNO-ZYHUDNBSSA-N 1 0 319.268 2.492 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616676540 362907219 /nfs/dbraw/zinc/90/72/19/362907219.db2.gz XYXVSEHBPMGREF-ZDUSSCGKSA-N 1 0 305.422 2.464 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H]1c2ccccc2CCN1CC[NH3+] ZINC000616678264 362908514 /nfs/dbraw/zinc/90/85/14/362908514.db2.gz FGHLWEAGQIDISR-HNNXBMFYSA-N 1 0 305.422 2.069 10 0 DEAERO CCCc1cc(NCC2CC[NH2+]CC2)nc(-c2cnccn2)n1 ZINC000070456041 190896777 /nfs/dbraw/zinc/89/67/77/190896777.db2.gz XDHHKLVCNVOOIJ-UHFFFAOYSA-N 1 0 312.421 2.298 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)cc1OC ZINC000180881736 539647337 /nfs/dbraw/zinc/64/73/37/539647337.db2.gz MSBAIZXMCKCYNW-VXGBXAGGSA-N 1 0 315.435 2.035 10 0 DEAERO CC[NH2+][C@@](CO)(CSc1ncnc2ccccc21)C1CC1 ZINC000070521051 190903487 /nfs/dbraw/zinc/90/34/87/190903487.db2.gz WOQDDZOMKWDXPG-INIZCTEOSA-N 1 0 303.431 2.473 10 0 DEAERO CC(C)[NH2+][C@](C)(CO)CCCSc1nnc(N(C)C)s1 ZINC000070519879 190903752 /nfs/dbraw/zinc/90/37/52/190903752.db2.gz TUQQRRCLPOZMQI-ZDUSSCGKSA-N 1 0 318.512 2.225 10 0 DEAERO CCc1csc([C@H]2CCCN(C(=O)NC[C@H]3CC[NH2+]C3)C2)n1 ZINC000333830145 282976041 /nfs/dbraw/zinc/97/60/41/282976041.db2.gz MJUDHIXUHWSVMZ-STQMWFEESA-N 1 0 322.478 2.204 10 0 DEAERO C[C@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000183085990 539659619 /nfs/dbraw/zinc/65/96/19/539659619.db2.gz BZRYMLYOFFBXPX-SWLSCSKDSA-N 1 0 310.825 2.156 10 0 DEAERO C[NH2+]Cc1ccc(-n2cc(I)cn2)cc1 ZINC000070678117 190910859 /nfs/dbraw/zinc/91/08/59/190910859.db2.gz AKIWRJXKBJLUHZ-UHFFFAOYSA-N 1 0 313.142 2.196 10 0 DEAERO Cc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000129989727 185926098 /nfs/dbraw/zinc/92/60/98/185926098.db2.gz FNZRVYKEVLHMOO-RYUDHWBXSA-N 1 0 309.207 2.049 10 0 DEAERO CCC[C@@H](NC(=O)C[NH2+][C@@H](C(=O)NC)C(C)C)c1ccccc1 ZINC000183677664 539664517 /nfs/dbraw/zinc/66/45/17/539664517.db2.gz KZNHMKRHHCCJHZ-NVXWUHKLSA-N 1 0 319.449 2.004 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)N(C)Cc1cc(Br)cs1 ZINC000083604363 192375103 /nfs/dbraw/zinc/37/51/03/192375103.db2.gz DXYAMMSLWNGDRU-QMMMGPOBSA-N 1 0 305.241 2.454 10 0 DEAERO CC[C@H](C[NH3+])C(=O)N(C)Cc1csc(Br)c1 ZINC000083604972 192375579 /nfs/dbraw/zinc/37/55/79/192375579.db2.gz SGJCSEYOZICUCY-SECBINFHSA-N 1 0 305.241 2.454 10 0 DEAERO Cc1cc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)nc(C)n1 ZINC000186558503 539676143 /nfs/dbraw/zinc/67/61/43/539676143.db2.gz UGSVUYAQCKJPPC-QGZVFWFLSA-N 1 0 311.433 2.447 10 0 DEAERO COc1ccc(C[NH3+])c(Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000130358645 185959734 /nfs/dbraw/zinc/95/97/34/185959734.db2.gz FGNHQXHOGYECDH-UHFFFAOYSA-N 1 0 307.371 2.350 10 0 DEAERO CC(C)C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCCS(C)(=O)=O ZINC000071347546 190961512 /nfs/dbraw/zinc/96/15/12/190961512.db2.gz RSUKRKCUKLSIGM-LSDHHAIUSA-N 1 0 318.527 2.156 10 0 DEAERO Cc1ccc(NC(=O)[C@H](C)N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000193819056 539715543 /nfs/dbraw/zinc/71/55/43/539715543.db2.gz OFGBJFBPPIKLES-ZDUSSCGKSA-N 1 0 307.413 2.487 10 0 DEAERO CC[C@@H](C)[C@H]1CN(CCS(C)(=O)=O)C2(CCCCC2)C[NH2+]1 ZINC000071356288 190962591 /nfs/dbraw/zinc/96/25/91/190962591.db2.gz BIPYDZJMHQVECT-HUUCEWRRSA-N 1 0 316.511 2.054 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000236703322 201973686 /nfs/dbraw/zinc/97/36/86/201973686.db2.gz NWPJPEYCCSYMMF-CYBMUJFWSA-N 1 0 315.421 2.210 10 0 DEAERO C[NH2+][C@@H](c1cc(Br)sc1C)[C@H]1COCCO1 ZINC000084006523 192395444 /nfs/dbraw/zinc/39/54/44/192395444.db2.gz MGYPHJPEAQOCON-KOLCDFICSA-N 1 0 306.225 2.495 10 0 DEAERO COCC[NH2+]CCC[S@@](=O)c1ccccc1Br ZINC000084033039 192396298 /nfs/dbraw/zinc/39/62/98/192396298.db2.gz WVXRWYCTYSWKAF-KRWDZBQOSA-N 1 0 320.252 2.183 10 0 DEAERO C[NH2+][C@H](C[S@@](=O)C1CCOCC1)c1cc(C)ccc1OC ZINC000084054736 192397232 /nfs/dbraw/zinc/39/72/32/192397232.db2.gz IVBDMLGNCIRDSG-VFNWGFHPSA-N 1 0 311.447 2.192 10 0 DEAERO CC[NH2+][C@H](C[S@](=O)C1CCOCC1)c1ccc(OC)cc1 ZINC000084055319 192398085 /nfs/dbraw/zinc/39/80/85/192398085.db2.gz BOJBRCCLLLIWDR-IIBYNOLFSA-N 1 0 311.447 2.274 10 0 DEAERO CC[NH+](CC)CCCC[NH2+][C@@H](CC(=O)[O-])C(=O)c1ccccc1 ZINC000071660738 191000515 /nfs/dbraw/zinc/00/05/15/191000515.db2.gz XRVOQUHUKUIVHB-INIZCTEOSA-N 1 0 320.433 2.424 10 0 DEAERO CC(=O)N1CC(C)(C)Oc2ccc([C@H](O)[C@@H]3CCCC[NH2+]3)cc21 ZINC000071664557 191001689 /nfs/dbraw/zinc/00/16/89/191001689.db2.gz UYMFUUXIJGDLLS-YOEHRIQHSA-N 1 0 318.417 2.386 10 0 DEAERO CC[NH2+][C@H]1CCCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000133585169 185997603 /nfs/dbraw/zinc/99/76/03/185997603.db2.gz OIEXAKVVQHBSRE-NSHDSACASA-N 1 0 318.389 2.261 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000245756374 539758338 /nfs/dbraw/zinc/75/83/38/539758338.db2.gz ZORZOELOJGUGSB-FSDCSDTHSA-N 1 0 304.434 2.232 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c([C@H]3CCCC[C@@H]3C[NH3+])nc21 ZINC000138142995 186014493 /nfs/dbraw/zinc/01/44/93/186014493.db2.gz POHXANCPVCUWOG-MNOVXSKESA-N 1 0 307.419 2.199 10 0 DEAERO Cn1c2cccc(S(C)(=O)=O)c2nc1[C@@H]1CCCCC[NH2+]1 ZINC000138232580 186015301 /nfs/dbraw/zinc/01/53/01/186015301.db2.gz CEEBXFASGUHWQU-NSHDSACASA-N 1 0 307.419 2.182 10 0 DEAERO C[C@@H](NC(=O)c1cccc(N)c1Br)c1ncc[nH]1 ZINC000138383521 186016086 /nfs/dbraw/zinc/01/60/86/186016086.db2.gz VIPMHCMKSMZHOT-SSDOTTSWSA-N 1 0 309.167 2.245 10 0 DEAERO CC(C)NS(=O)(=O)c1cc(C[NH2+]C(C)C)cc(F)c1F ZINC000138603649 186017572 /nfs/dbraw/zinc/01/75/72/186017572.db2.gz WLKFJWBUWIBDLK-UHFFFAOYSA-N 1 0 306.378 2.150 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CCC[C@H]2C)c1 ZINC000138572058 186017972 /nfs/dbraw/zinc/01/79/72/186017972.db2.gz KDKUUOQTYYZSST-SNVBAGLBSA-N 1 0 318.389 2.247 10 0 DEAERO COc1cc(C[C@H]([NH3+])c2ccccc2Br)ncn1 ZINC000138645462 186018275 /nfs/dbraw/zinc/01/82/75/186018275.db2.gz VCJFYUFBMQQIRE-LBPRGKRZSA-N 1 0 308.179 2.490 10 0 DEAERO Cc1cc(-c2cc(NCC[NH+](C)C)nc3[nH]ccc32)cnc1N ZINC000072125241 191041847 /nfs/dbraw/zinc/04/18/47/191041847.db2.gz QAXMNPMZKUNEJH-UHFFFAOYSA-N 1 0 310.405 2.489 10 0 DEAERO [NH3+][C@H](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000139298302 186021352 /nfs/dbraw/zinc/02/13/52/186021352.db2.gz AJMAVABUJIWFKC-WCQYABFASA-N 1 0 321.364 2.400 10 0 DEAERO [NH3+][C@H](Cc1cccc(C(F)(F)F)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000139298468 186021795 /nfs/dbraw/zinc/02/17/95/186021795.db2.gz AJMAVABUJIWFKC-DGCLKSJQSA-N 1 0 321.364 2.400 10 0 DEAERO CC[C@H](C[NH3+])Cc1nc(-c2ccc(Br)cn2)no1 ZINC000139802636 186024056 /nfs/dbraw/zinc/02/40/56/186024056.db2.gz NCRDVUVITIMMMS-QMMMGPOBSA-N 1 0 311.183 2.422 10 0 DEAERO CC[NH2+][C@@H](Cc1cccc(OC)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000142362414 186031651 /nfs/dbraw/zinc/03/16/51/186031651.db2.gz DQXYFINFQKEHTR-CABCVRRESA-N 1 0 311.447 2.041 10 0 DEAERO CC[C@@H]1N[C@@H](c2ccsc2)N(C[C@@H]2CC[N@H+](CC)C2)C1=O ZINC000142254657 186032093 /nfs/dbraw/zinc/03/20/93/186032093.db2.gz AJMLMIDMMKYBPW-VHDGCEQUSA-N 1 0 307.463 2.299 10 0 DEAERO CC[C@@]1(C)N[C@H](c2cccs2)N(C2CC[NH+](C)CC2)C1=O ZINC000141204063 186029423 /nfs/dbraw/zinc/02/94/23/186029423.db2.gz ZBZNGZCJFSFGRS-GOEBONIOSA-N 1 0 307.463 2.441 10 0 DEAERO CCCN(C(C)C)[C@]1(C[NH3+])CCS(=O)(=O)c2ccccc21 ZINC000147640655 186040832 /nfs/dbraw/zinc/04/08/32/186040832.db2.gz RRCMUWJXJRQFND-INIZCTEOSA-N 1 0 310.463 2.138 10 0 DEAERO C[C@@H]1OCC[C@@]1(C[NH3+])N(C)Cc1ccc(Br)cc1 ZINC000147945460 186042435 /nfs/dbraw/zinc/04/24/35/186042435.db2.gz QGFDTSMVRCFSIN-FZMZJTMJSA-N 1 0 313.239 2.387 10 0 DEAERO C[C@H]1OCC[C@@]1(C[NH3+])N(C)Cc1ccc(Br)cc1 ZINC000147945238 186042585 /nfs/dbraw/zinc/04/25/85/186042585.db2.gz QGFDTSMVRCFSIN-RISCZKNCSA-N 1 0 313.239 2.387 10 0 DEAERO COC(=O)c1c(NC(=O)C2([NH3+])CCC2)sc2c1CCCC2 ZINC000148141796 186043339 /nfs/dbraw/zinc/04/33/39/186043339.db2.gz LLHFJAMEYVHJME-UHFFFAOYSA-N 1 0 308.403 2.233 10 0 DEAERO C[C@H](CN1C(=O)C2(CCCC2)N[C@@H]1c1ccsc1)[NH+](C)C ZINC000144941620 186035780 /nfs/dbraw/zinc/03/57/80/186035780.db2.gz FRLYSJCAYDKHBR-OCCSQVGLSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@H](CN1C(=O)[C@H](C)N[C@@H]1c1ccsc1)[NH+]1CCCCC1 ZINC000145684305 186037234 /nfs/dbraw/zinc/03/72/34/186037234.db2.gz SRFFKCHYOUXZGQ-IPYPFGDCSA-N 1 0 307.463 2.441 10 0 DEAERO CCOC[C@H](O)C[NH2+][C@H](C)c1ccccc1Br ZINC000148922377 186046094 /nfs/dbraw/zinc/04/60/94/186046094.db2.gz ZZSQNEKNBBACKJ-GHMZBOCLSA-N 1 0 302.212 2.497 10 0 DEAERO C[NH2+]CC1CCN(S(=O)(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000149500224 186050465 /nfs/dbraw/zinc/05/04/65/186050465.db2.gz WIYDGHJMIFAUKT-CQSZACIVSA-N 1 0 310.463 2.051 10 0 DEAERO c1cn2cc(CN3C[C@H](C4CC4)[NH2+]C[C@@H]3C3CC3)nc2s1 ZINC000149539863 186050748 /nfs/dbraw/zinc/05/07/48/186050748.db2.gz PUIOSURPUUHGQS-HUUCEWRRSA-N 1 0 302.447 2.358 10 0 DEAERO [NH3+]Cc1csc(S(=O)(=O)NCCCCC(F)(F)F)c1 ZINC000149991259 186053970 /nfs/dbraw/zinc/05/39/70/186053970.db2.gz BRSUEWZYNRTMED-UHFFFAOYSA-N 1 0 316.370 2.218 10 0 DEAERO C[NH2+][C@@H](Cc1csc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000150050859 186054283 /nfs/dbraw/zinc/05/42/83/186054283.db2.gz LAHJZASNCBMUEH-RISCZKNCSA-N 1 0 309.456 2.467 10 0 DEAERO CCc1nn(C)c(C[C@@](O)(C[NH3+])C(C)(C)C)c1Br ZINC000150203819 186055348 /nfs/dbraw/zinc/05/53/48/186055348.db2.gz ATYCGDKPQZAHNX-CYBMUJFWSA-N 1 0 318.259 2.023 10 0 DEAERO [NH3+]CCN(C1CCCCC1)S(=O)(=O)c1ccccc1F ZINC000084723784 192461797 /nfs/dbraw/zinc/46/17/97/192461797.db2.gz REGQBLFMZFQZFW-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO CCNC(=O)CN(CC)c1ccc(C(F)(F)F)c(C[NH3+])c1 ZINC000163972349 186143875 /nfs/dbraw/zinc/14/38/75/186143875.db2.gz PNOUVWNUKXDEAX-UHFFFAOYSA-N 1 0 303.328 2.127 10 0 DEAERO CC(C)CN(CC(N)=O)c1ccc(C(F)(F)F)c(C[NH3+])c1 ZINC000163984109 186144876 /nfs/dbraw/zinc/14/48/76/186144876.db2.gz QLSCMUDMXFMMSC-UHFFFAOYSA-N 1 0 303.328 2.112 10 0 DEAERO CC[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)NC1CC(C)C1 ZINC000163996120 186145222 /nfs/dbraw/zinc/14/52/22/186145222.db2.gz PNOTYCHNNYFKGC-UHFFFAOYSA-N 1 0 300.424 2.083 10 0 DEAERO C[NH2+]C[C@H](Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000163992885 186145366 /nfs/dbraw/zinc/14/53/66/186145366.db2.gz LCUFYMOIWOUULQ-RYUDHWBXSA-N 1 0 319.829 2.292 10 0 DEAERO C[NH2+]Cc1cn(CCCS(C)(=O)=O)c2cc(Cl)ccc12 ZINC000164004109 186145721 /nfs/dbraw/zinc/14/57/21/186145721.db2.gz AREWMDIXBPNYFW-UHFFFAOYSA-N 1 0 314.838 2.449 10 0 DEAERO C[C@H](C(=O)Nc1cccc(Cl)c1-n1cccn1)C1C[NH2+]C1 ZINC000164121774 186149152 /nfs/dbraw/zinc/14/91/52/186149152.db2.gz DXIUUBQKUJGCBE-JTQLQIEISA-N 1 0 304.781 2.320 10 0 DEAERO [NH3+]Cc1cccc(NC(=O)C[S@](=O)c2ccc(F)cc2)c1 ZINC000155920212 186123568 /nfs/dbraw/zinc/12/35/68/186123568.db2.gz OSTOEIAQMIRSPY-OAQYLSRUSA-N 1 0 306.362 2.031 10 0 DEAERO O=C(Nc1cccc(C(F)(F)F)c1)OC[C@H]1C[NH2+]CCO1 ZINC000164132973 186150038 /nfs/dbraw/zinc/15/00/38/186150038.db2.gz JGUOWBYQYQMUHQ-LLVKDONJSA-N 1 0 304.268 2.242 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)c2nnc(Cl)s2)CC1 ZINC000159756895 186139629 /nfs/dbraw/zinc/13/96/29/186139629.db2.gz NFBRAQWOGBXFNI-UHFFFAOYSA-N 1 0 302.831 2.184 10 0 DEAERO CC(C)n1ncc(Br)c1C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000164277791 186154418 /nfs/dbraw/zinc/15/44/18/186154418.db2.gz AYHWBJNKXGTKTM-IUCAKERBSA-N 1 0 300.200 2.265 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000164286272 186154598 /nfs/dbraw/zinc/15/45/98/186154598.db2.gz CNYKPNCJCMQIPN-VIFPVBQESA-N 1 0 312.211 2.238 10 0 DEAERO C[C@H]([NH3+])Cc1ccc(SCCS(C)(=O)=O)c(Cl)c1 ZINC000164473235 186159287 /nfs/dbraw/zinc/15/92/87/186159287.db2.gz AKKNUTPDCXTHPD-VIFPVBQESA-N 1 0 307.868 2.366 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](O)c1ccccc1 ZINC000179712254 186209348 /nfs/dbraw/zinc/20/93/48/186209348.db2.gz LHHAUIQUJOGUDD-YJBOKZPZSA-N 1 0 312.413 2.357 10 0 DEAERO COc1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)c(OC)c1 ZINC000179684777 186204893 /nfs/dbraw/zinc/20/48/93/186204893.db2.gz HBEFFTLQSGONSD-UHFFFAOYSA-N 1 0 306.406 2.004 10 0 DEAERO CN(C)C(=O)C1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000179686925 186205462 /nfs/dbraw/zinc/20/54/62/186205462.db2.gz ZKQVEDRFORJMAL-UHFFFAOYSA-N 1 0 306.381 2.199 10 0 DEAERO CN1CCCc2cc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccc21 ZINC000171891884 198002949 /nfs/dbraw/zinc/00/29/49/198002949.db2.gz UTIRVXOIEJFRPA-MRXNPFEDSA-N 1 0 314.433 2.381 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cccc3cccnc32)CCO1 ZINC000172046892 198030714 /nfs/dbraw/zinc/03/07/14/198030714.db2.gz WWEXBLKZGRLYBI-AWEZNQCLSA-N 1 0 314.389 2.029 10 0 DEAERO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000172054753 198032033 /nfs/dbraw/zinc/03/20/33/198032033.db2.gz BSYQKRFJLQQWGS-WBVHZDCISA-N 1 0 312.417 2.039 10 0 DEAERO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000172054755 198032139 /nfs/dbraw/zinc/03/21/39/198032139.db2.gz BSYQKRFJLQQWGS-RDJZCZTQSA-N 1 0 312.417 2.039 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000172077102 198035722 /nfs/dbraw/zinc/03/57/22/198035722.db2.gz BWNIMGBQJSSLTG-GFCCVEGCSA-N 1 0 316.854 2.221 10 0 DEAERO CC[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000172167868 198050745 /nfs/dbraw/zinc/05/07/45/198050745.db2.gz XWMKHEFZGYSQEZ-DZKIICNBSA-N 1 0 304.438 2.390 10 0 DEAERO C[C@@H](c1nc(-c2cccnc2)no1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172190750 198055440 /nfs/dbraw/zinc/05/54/40/198055440.db2.gz NKUNMKRZPBIWGF-ZDUSSCGKSA-N 1 0 313.405 2.363 10 0 DEAERO Cc1c(F)cccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000072610375 191202351 /nfs/dbraw/zinc/20/23/51/191202351.db2.gz UWBTXBBUXZHGPQ-LBPRGKRZSA-N 1 0 321.396 2.063 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cccn3Cc3ccccc3)C[C@@H]12 ZINC000309751935 539877840 /nfs/dbraw/zinc/87/78/40/539877840.db2.gz ZRKWZKNMNNHMPH-GVDBMIGSSA-N 1 0 309.413 2.346 10 0 DEAERO CCOC[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000072838890 191236155 /nfs/dbraw/zinc/23/61/55/191236155.db2.gz JXXVLOJSHNLBEB-QZTJIDSGSA-N 1 0 318.461 2.434 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173271472 198204952 /nfs/dbraw/zinc/20/49/52/198204952.db2.gz FLALDZYDLPFBNV-CABCVRRESA-N 1 0 310.463 2.407 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(F)c2F)CC[N@@H+]1C ZINC000173274137 198205022 /nfs/dbraw/zinc/20/50/22/198205022.db2.gz FBUIDDIUZSPBHJ-MNOVXSKESA-N 1 0 318.389 2.068 10 0 DEAERO O=C(NCc1ccc(Cl)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173227746 198198239 /nfs/dbraw/zinc/19/82/39/198198239.db2.gz HVANPFXXTMTFFK-HNNXBMFYSA-N 1 0 305.809 2.496 10 0 DEAERO [NH3+][C@@H]1CCc2ncc(NC(=O)N3C[C@H]4CCC[C@@H]4C3)cc2C1 ZINC000333282706 539954635 /nfs/dbraw/zinc/95/46/35/539954635.db2.gz HVCSWGNJVOWEEC-YRGRVCCFSA-N 1 0 300.406 2.161 10 0 DEAERO O=C(Nc1ncc(C(F)(F)F)s1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333301915 539955122 /nfs/dbraw/zinc/95/51/22/539955122.db2.gz KKJGVLLRLNBIBC-YUMQZZPRSA-N 1 0 320.340 2.235 10 0 DEAERO O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)N[C@H]1CCC[NH2+]C1 ZINC000333424658 539959081 /nfs/dbraw/zinc/95/90/81/539959081.db2.gz TTZKWIOVWDEDER-WOPDTQHZSA-N 1 0 307.360 2.406 10 0 DEAERO CC[NH+](CC)CC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000173523250 198224062 /nfs/dbraw/zinc/22/40/62/198224062.db2.gz OIOMBGIPIXGXJD-BBRMVZONSA-N 1 0 308.397 2.456 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H](O)c1ccccc1 ZINC000073010087 191267519 /nfs/dbraw/zinc/26/75/19/191267519.db2.gz XAYTZGYVRJWYHM-ROUUACIJSA-N 1 0 312.413 2.009 10 0 DEAERO O=C(N[C@@H]1CCc2ccccc2C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333715220 539970135 /nfs/dbraw/zinc/97/01/35/539970135.db2.gz FXHRYTVTEUVORP-BRSBDYLESA-N 1 0 313.445 2.231 10 0 DEAERO CCC(CC)c1cc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)on1 ZINC000173914815 198267803 /nfs/dbraw/zinc/26/78/03/198267803.db2.gz MFANKSRRFDALGS-CYBMUJFWSA-N 1 0 308.426 2.424 10 0 DEAERO CCOC[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000073002556 191268499 /nfs/dbraw/zinc/26/84/99/191268499.db2.gz ANKYNQFIGXINTK-MSOLQXFVSA-N 1 0 307.434 2.313 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000174113017 198293175 /nfs/dbraw/zinc/29/31/75/198293175.db2.gz RNWFDOSZCIKUOW-JSGCOSHPSA-N 1 0 319.405 2.404 10 0 DEAERO COCc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000174361141 198323968 /nfs/dbraw/zinc/32/39/68/198323968.db2.gz PUUANPAZSILWHF-QGZVFWFLSA-N 1 0 312.417 2.382 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@@H](C)c2cccs2)CC[N@@H+]1C[C@@H](C)O ZINC000174611018 198358341 /nfs/dbraw/zinc/35/83/41/198358341.db2.gz IQCPUCJTSAMAPP-HZSPNIEDSA-N 1 0 310.463 2.155 10 0 DEAERO O=Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[nH]1 ZINC000175069823 198423413 /nfs/dbraw/zinc/42/34/13/198423413.db2.gz BDQUSIRZDGTFQL-UHFFFAOYSA-N 1 0 311.385 2.353 10 0 DEAERO O=C([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)N1CCOCC1 ZINC000038832728 354168515 /nfs/dbraw/zinc/16/85/15/354168515.db2.gz HEUVRDGSGVLDAT-OAHLLOKOSA-N 1 0 322.836 2.411 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000042064117 354187698 /nfs/dbraw/zinc/18/76/98/354187698.db2.gz LTPKEMILPZDHLN-UHFFFAOYSA-N 1 0 304.369 2.287 10 0 DEAERO CC(C)(C)NC(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000042634741 354201013 /nfs/dbraw/zinc/20/10/13/354201013.db2.gz GUSYNIDMBQWYJR-KRWDZBQOSA-N 1 0 304.434 2.347 10 0 DEAERO Cc1ccc(C(=O)N(C)CC2C[NH+](C)C2)c(Br)c1 ZINC000618192214 363410133 /nfs/dbraw/zinc/41/01/33/363410133.db2.gz GVLWACYSCPITOI-UHFFFAOYSA-N 1 0 311.223 2.391 10 0 DEAERO CN(CC1C[NH+](C)C1)C(=O)c1c(F)cccc1Br ZINC000618193145 363410562 /nfs/dbraw/zinc/41/05/62/363410562.db2.gz LKVDGGYDXMQWGU-UHFFFAOYSA-N 1 0 315.186 2.222 10 0 DEAERO O=C1[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)CCN1C1CCOCC1 ZINC000358202734 540095899 /nfs/dbraw/zinc/09/58/99/540095899.db2.gz MXSVAWKVSPXSIR-DLBZAZTESA-N 1 0 318.392 2.183 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000379469953 540121714 /nfs/dbraw/zinc/12/17/14/540121714.db2.gz GQTIRCAUDNQFMZ-QGZVFWFLSA-N 1 0 304.434 2.272 10 0 DEAERO O[C@H](C[NH+]1CCC2(CC1)OCCO2)c1ccc2cc[nH]c2c1 ZINC000004959189 181179587 /nfs/dbraw/zinc/17/95/87/181179587.db2.gz CTXJSJUNCBVUFF-MRXNPFEDSA-N 1 0 302.374 2.040 10 0 DEAERO CCc1nc(-n2nc(C)cc2C)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000073685356 191341828 /nfs/dbraw/zinc/34/18/28/191341828.db2.gz OUCIZDBKDWVSAI-CQSZACIVSA-N 1 0 314.437 2.314 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccc(Br)o1 ZINC000384259556 540125470 /nfs/dbraw/zinc/12/54/70/540125470.db2.gz PABDXWJTFZATTL-ONGXEEELSA-N 1 0 315.211 2.389 10 0 DEAERO CCC[NH2+][C@@](C)(CO)CCn1nc(C)c(Br)c1C ZINC000085262324 192485882 /nfs/dbraw/zinc/48/58/82/192485882.db2.gz KWGMNBDABYPVMZ-CYBMUJFWSA-N 1 0 318.259 2.403 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cncn1-c1ccc(F)cc1 ZINC000075609356 191499483 /nfs/dbraw/zinc/49/94/83/191499483.db2.gz LBTKLLQPUFCEKR-CYBMUJFWSA-N 1 0 318.396 2.472 10 0 DEAERO CC1(C)O[C@H]2O[C@H](C[N@@H+]3CCC[C@@H]3c3ccccc3)[C@@H](O)[C@@H]2O1 ZINC000106385035 355722370 /nfs/dbraw/zinc/72/23/70/355722370.db2.gz FXRSTNMDEDRDHF-OVYGPGRDSA-N 1 0 319.401 2.061 10 0 DEAERO Cc1ccc(SCCNC(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000139415271 355876610 /nfs/dbraw/zinc/87/66/10/355876610.db2.gz CZMRGOWHIKCFBG-AWEZNQCLSA-N 1 0 307.463 2.481 10 0 DEAERO CNC(=O)N1CCC([C@H]2CC[N@H+](Cc3ccc(C)cn3)C2)CC1 ZINC000169781612 355982848 /nfs/dbraw/zinc/98/28/48/355982848.db2.gz DPIMEWQBDBJRDD-INIZCTEOSA-N 1 0 316.449 2.263 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCC2=CCCC2)CC1 ZINC000182043032 356107018 /nfs/dbraw/zinc/10/70/18/356107018.db2.gz OPPJVFMMNVYLPJ-OAHLLOKOSA-N 1 0 323.481 2.221 10 0 DEAERO COCc1noc([C@H](C)N(C)CCc2ccccc2OC)n1 ZINC000181777058 356095479 /nfs/dbraw/zinc/09/54/79/356095479.db2.gz DIYSYISSLHCHSO-LBPRGKRZSA-N 1 0 305.378 2.460 10 0 DEAERO COc1c(CN2CCO[C@@H](Cc3ccccc3)C2)c(C)nn1C ZINC000181926316 356100342 /nfs/dbraw/zinc/10/03/42/356100342.db2.gz DOLJVPXSIQBRGB-INIZCTEOSA-N 1 0 315.417 2.181 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(N(C)C)n2)[C@H](C)C1 ZINC000181937045 356101271 /nfs/dbraw/zinc/10/12/71/356101271.db2.gz VRDFQPQKLLKNKO-KGLIPLIRSA-N 1 0 319.453 2.342 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(C)CCC[NH+](C)C)c1 ZINC000181938326 356101794 /nfs/dbraw/zinc/10/17/94/356101794.db2.gz FAFQRXLBAFUPLD-CJNGLKHVSA-N 1 0 317.433 2.305 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3nccc3[nH]2)cc1F ZINC000181998858 356104130 /nfs/dbraw/zinc/10/41/30/356104130.db2.gz IABKDWWVWFBLIF-SNVBAGLBSA-N 1 0 316.336 2.021 10 0 DEAERO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000183065639 356159091 /nfs/dbraw/zinc/15/90/91/356159091.db2.gz SEVSHTATHKXHHV-LSDHHAIUSA-N 1 0 317.401 2.453 10 0 DEAERO CCC[NH2+][C@@H](C)C1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000080185212 192010020 /nfs/dbraw/zinc/01/00/20/192010020.db2.gz NXMOOIVOXKDKQX-ZDUSSCGKSA-N 1 0 304.500 2.462 10 0 DEAERO C[C@H](CC1CCCCC1)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000183357255 356169399 /nfs/dbraw/zinc/16/93/99/356169399.db2.gz IRNVBURRGGOSAC-HIFRSBDPSA-N 1 0 302.484 2.216 10 0 DEAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183461980 356173266 /nfs/dbraw/zinc/17/32/66/356173266.db2.gz NYNGHNNIPVUUEE-GJZGRUSLSA-N 1 0 317.433 2.327 10 0 DEAERO O=C1C[C@@H]([NH2+][C@@H]2CCCSC2)CN1CCOc1ccccc1 ZINC000183612417 356177624 /nfs/dbraw/zinc/17/76/24/356177624.db2.gz QAHPKIUNCHQSND-HUUCEWRRSA-N 1 0 320.458 2.152 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000187768424 356214170 /nfs/dbraw/zinc/21/41/70/356214170.db2.gz YEZOPKVMLVJYKZ-PBHICJAKSA-N 1 0 310.413 2.071 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ncn(C3CCCCC3)n2)C1 ZINC000184623579 356195353 /nfs/dbraw/zinc/19/53/53/356195353.db2.gz JHRODVDRJRLERJ-ZDUSSCGKSA-N 1 0 320.441 2.247 10 0 DEAERO CCC[C@@H](CC)NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184976478 356200719 /nfs/dbraw/zinc/20/07/19/356200719.db2.gz VSVZJLIDPOCXFW-GDBMZVCRSA-N 1 0 313.486 2.299 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1c(C)cccc1OC ZINC000195031641 356249150 /nfs/dbraw/zinc/24/91/50/356249150.db2.gz DYVXDOZLNPHKTL-CQSZACIVSA-N 1 0 321.421 2.236 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000228343547 356281373 /nfs/dbraw/zinc/28/13/73/356281373.db2.gz WERXEBRWQFREKD-KOLCDFICSA-N 1 0 302.827 2.149 10 0 DEAERO [NH3+]Cc1cnc(I)cc1OC(F)(F)F ZINC000238568221 356304448 /nfs/dbraw/zinc/30/44/48/356304448.db2.gz GRYOSFDEXADHNL-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO COc1cccc(C(=O)Nc2nc([C@@H](C)[NH3+])cs2)c1OC ZINC000080886862 192199033 /nfs/dbraw/zinc/19/90/33/192199033.db2.gz IBEYOBCPSFACDZ-MRVPVSSYSA-N 1 0 307.375 2.432 10 0 DEAERO C[C@@H]1CCC[C@]([NH3+])(CNCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000080934493 192202699 /nfs/dbraw/zinc/20/26/99/192202699.db2.gz SDFWYGIEIAICAO-CZUORRHYSA-N 1 0 310.463 2.087 10 0 DEAERO O=C([C@H]1CCCCC[NH2+]1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000081016810 192214596 /nfs/dbraw/zinc/21/45/96/192214596.db2.gz NWJRFVWTVLIDAG-RBSFLKMASA-N 1 0 312.479 2.032 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262315046 356341285 /nfs/dbraw/zinc/34/12/85/356341285.db2.gz UFWFUAVGKYEDFM-JJXSEGSLSA-N 1 0 323.481 2.047 10 0 DEAERO CCC[C@H](O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400709951 283158506 /nfs/dbraw/zinc/15/85/06/283158506.db2.gz DLFUDHNBXQDHBU-RDBSUJKOSA-N 1 0 300.443 2.383 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1[C@@H]([NH2+]Cc2ccccc2)[C@@H]2OCC[C@@H]12 ZINC000300227984 356390182 /nfs/dbraw/zinc/39/01/82/356390182.db2.gz ZVXRDYBDPDMHIX-ZJIFWQFVSA-N 1 0 318.417 2.457 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000400392793 283156720 /nfs/dbraw/zinc/15/67/20/283156720.db2.gz ISWDPOOZBQCTNN-LSDHHAIUSA-N 1 0 322.453 2.427 10 0 DEAERO CC1(C)[C@H](c2ncc(I)s2)[C@@H]1C[NH3+] ZINC000306327855 356403708 /nfs/dbraw/zinc/40/37/08/356403708.db2.gz AOBDGCWMQZTBRT-FSPLSTOPSA-N 1 0 308.188 2.446 10 0 DEAERO CC(C)c1cc(C(=O)N(C)C[C@H]2CCn3ccnc3C2)[nH]n1 ZINC000328615680 356460979 /nfs/dbraw/zinc/46/09/79/356460979.db2.gz AZSDEDBISUROOF-LBPRGKRZSA-N 1 0 301.394 2.064 10 0 DEAERO Cc1cc(F)ccc1C(=O)N1CCO[C@H](C[N@H+](C)CC2CC2)C1 ZINC000328622362 356462113 /nfs/dbraw/zinc/46/21/13/356462113.db2.gz BFAKYFXFSBUNQQ-MRXNPFEDSA-N 1 0 320.408 2.317 10 0 DEAERO [NH3+]C[C@H](c1c(Cl)cccc1Cl)N1CCn2cnnc2C1 ZINC000081533060 192285247 /nfs/dbraw/zinc/28/52/47/192285247.db2.gz IMVRLMXDRUYVCG-LLVKDONJSA-N 1 0 312.204 2.101 10 0 DEAERO CCCN(C(=O)c1cccc(C[S@](C)=O)c1)C1CC[NH2+]CC1 ZINC000236841441 202034315 /nfs/dbraw/zinc/03/43/15/202034315.db2.gz FQILHAVJWPWWKU-QFIPXVFZSA-N 1 0 322.474 2.169 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@@H](C)CCOC)cc1 ZINC000081717764 192316111 /nfs/dbraw/zinc/31/61/11/192316111.db2.gz UQDNUUIPJRGTHA-QWHCGFSZSA-N 1 0 314.451 2.060 10 0 DEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000236903753 202062878 /nfs/dbraw/zinc/06/28/78/202062878.db2.gz VXCYOZBWSKJFQB-WFASDCNBSA-N 1 0 303.406 2.118 10 0 DEAERO C[NH2+][C@H](c1ccc2c(c1)CC(C)(C)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000086022655 192545708 /nfs/dbraw/zinc/54/57/08/192545708.db2.gz MDFLKMVDPDMXAU-IUODEOHRSA-N 1 0 309.431 2.095 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)c1cscc1Br ZINC000086558417 192582075 /nfs/dbraw/zinc/58/20/75/192582075.db2.gz ITECVDFZVVSDHM-LLVKDONJSA-N 1 0 308.241 2.344 10 0 DEAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N(CC)Cc1ccccc1 ZINC000385934449 356693032 /nfs/dbraw/zinc/69/30/32/356693032.db2.gz VHEAZUQQOWAGQD-IAGOWNOFSA-N 1 0 304.434 2.128 10 0 DEAERO OCCN1CCC[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000384276770 356682727 /nfs/dbraw/zinc/68/27/27/356682727.db2.gz ALJCFOOMDJWVEO-NSHDSACASA-N 1 0 319.268 2.057 10 0 DEAERO OCCN1CCC[C@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000384400400 356683100 /nfs/dbraw/zinc/68/31/00/356683100.db2.gz UKMQCQQYLNOTBN-NSHDSACASA-N 1 0 319.268 2.057 10 0 DEAERO COCCN(C)CC[NH2+]Cc1ccsc1Br ZINC000388754723 356706610 /nfs/dbraw/zinc/70/66/10/356706610.db2.gz QRDNZTOCVWZOKJ-UHFFFAOYSA-N 1 0 307.257 2.178 10 0 DEAERO COCC[N@@H+]1CCC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000399565821 356721585 /nfs/dbraw/zinc/72/15/85/356721585.db2.gz IIGZLUMEAXQFIH-LLVKDONJSA-N 1 0 314.773 2.166 10 0 DEAERO COc1cc(OC)cc(N2CC[C@H]([NH2+]CCC(C)C)C2=O)c1 ZINC000237213081 202192254 /nfs/dbraw/zinc/19/22/54/202192254.db2.gz BXISTKCJANACKE-INIZCTEOSA-N 1 0 306.406 2.445 10 0 DEAERO CCC[C@@H]1C[NH2+][C@H](CC(C)C)CN1CCCS(=O)(=O)CC ZINC000086982426 192606228 /nfs/dbraw/zinc/60/62/28/192606228.db2.gz JHTAOVNNTIDALW-HZPDHXFCSA-N 1 0 318.527 2.300 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000578652003 356851640 /nfs/dbraw/zinc/85/16/40/356851640.db2.gz ULBOMWYTUQRHCY-CQSZACIVSA-N 1 0 314.476 2.075 10 0 DEAERO Cc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)sc1Br ZINC000087018528 192611583 /nfs/dbraw/zinc/61/15/83/192611583.db2.gz PGOYKQVIZGPPCF-MRVPVSSYSA-N 1 0 303.225 2.253 10 0 DEAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000579785305 357028712 /nfs/dbraw/zinc/02/87/12/357028712.db2.gz VBZWMBJUTQUFDO-KFWWJZLASA-N 1 0 318.417 2.206 10 0 DEAERO [NH3+]C[C@H](c1ccc(Br)cc1)[C@H](O)C1CCOCC1 ZINC000087350804 192641546 /nfs/dbraw/zinc/64/15/46/192641546.db2.gz NUFPUVJBNYWJAY-ZIAGYGMSSA-N 1 0 314.223 2.279 10 0 DEAERO CCCCN(C)S(=O)(=O)c1ccc(OCCC[NH2+]C)cc1 ZINC000088915805 192656246 /nfs/dbraw/zinc/65/62/46/192656246.db2.gz JYMAYWVVGVGDEU-UHFFFAOYSA-N 1 0 314.451 2.096 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)s1 ZINC000088920544 192657377 /nfs/dbraw/zinc/65/73/77/192657377.db2.gz VFRZIIVXVNGTIJ-QWRGUYRKSA-N 1 0 316.492 2.443 10 0 DEAERO CCc1ccc(C[NH3+])cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000088920451 192657651 /nfs/dbraw/zinc/65/76/51/192657651.db2.gz SFSVLLDKQZIUEV-CHWSQXEVSA-N 1 0 310.463 2.374 10 0 DEAERO C[NH+](C)CCN(Cc1ccco1)C(=O)NCCOCC1CCC1 ZINC000581224768 357149922 /nfs/dbraw/zinc/14/99/22/357149922.db2.gz DNPUPALMYVAVMH-UHFFFAOYSA-N 1 0 323.437 2.170 10 0 DEAERO C[NH2+]Cc1ccc(F)c(S(=O)(=O)N(C)[C@H](C)C(C)C)c1 ZINC000088963148 192670845 /nfs/dbraw/zinc/67/08/45/192670845.db2.gz AMJBXYZWRJSERK-LLVKDONJSA-N 1 0 302.415 2.210 10 0 DEAERO CCC[NH2+]Cc1nc(Br)c(Br)n1C ZINC000584881901 357324023 /nfs/dbraw/zinc/32/40/23/357324023.db2.gz SOAVEQVWXUBWLV-UHFFFAOYSA-N 1 0 311.021 2.445 10 0 DEAERO C[C@H](C[N@H+](C)C[C@@H](O)COC[C@H]1CCCO1)c1ccccc1 ZINC000589707894 357492227 /nfs/dbraw/zinc/49/22/27/357492227.db2.gz VMDJTAUFIAYBEC-KBAYOESNSA-N 1 0 307.434 2.278 10 0 DEAERO Ic1ccc(NC[C@H]2CCCC[NH2+]2)nc1 ZINC000591426897 357720583 /nfs/dbraw/zinc/72/05/83/357720583.db2.gz CLOUKVNFWCNRFT-SNVBAGLBSA-N 1 0 317.174 2.240 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000591259097 357695766 /nfs/dbraw/zinc/69/57/66/357695766.db2.gz UXLHDYCFPOXBCH-INIZCTEOSA-N 1 0 315.417 2.409 10 0 DEAERO CN(CC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(Cl)cn1 ZINC000591321074 357705715 /nfs/dbraw/zinc/70/57/15/357705715.db2.gz VEDXRVUPLAXOQR-UHFFFAOYSA-N 1 0 324.856 2.162 10 0 DEAERO CCC[C@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccccn1 ZINC000591605778 357742717 /nfs/dbraw/zinc/74/27/17/357742717.db2.gz UMPMCFOFVPQZOU-INIZCTEOSA-N 1 0 313.405 2.151 10 0 DEAERO CCC[C@@H](C(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1)[NH+](C)C ZINC000179233795 199002428 /nfs/dbraw/zinc/00/24/28/199002428.db2.gz YGIYTCWVKZBNAE-ZFWWWQNUSA-N 1 0 322.449 2.481 10 0 DEAERO COc1ccc(C[C@@H](C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000179511261 199048005 /nfs/dbraw/zinc/04/80/05/199048005.db2.gz GWRUHOMDZZGIRJ-ZBFHGGJFSA-N 1 0 319.449 2.219 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cnn3ccccc23)C[C@@H]1CC ZINC000179513673 199048702 /nfs/dbraw/zinc/04/87/02/199048702.db2.gz QAJXHWUHLUBDMI-KRWDZBQOSA-N 1 0 316.449 2.267 10 0 DEAERO CCn1nc(C)c(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C ZINC000179549132 199053439 /nfs/dbraw/zinc/05/34/39/199053439.db2.gz UZEKEXHKELNSGJ-FZMZJTMJSA-N 1 0 307.442 2.370 10 0 DEAERO C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000180196746 199129332 /nfs/dbraw/zinc/12/93/32/199129332.db2.gz VXRLVNLMRMPZJT-CYBMUJFWSA-N 1 0 319.430 2.012 10 0 DEAERO CCS[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000593910145 358169229 /nfs/dbraw/zinc/16/92/29/358169229.db2.gz RPPUFHNUSMEEGA-ZNSHCXBVSA-N 1 0 310.385 2.175 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)NC1CC[NH+](C2CC2)CC1 ZINC000180421026 199156670 /nfs/dbraw/zinc/15/66/70/199156670.db2.gz ZRBXWJWHZAFDNN-UHFFFAOYSA-N 1 0 308.813 2.161 10 0 DEAERO CC(C)Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc(=O)[nH]1 ZINC000180406917 199155937 /nfs/dbraw/zinc/15/59/37/199155937.db2.gz JUFAPOWUTJBPPO-CZUORRHYSA-N 1 0 317.433 2.294 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(F)cc1OC(F)F ZINC000180501194 199168063 /nfs/dbraw/zinc/16/80/63/199168063.db2.gz FVTVQPFVUWBQQF-ZYHUDNBSSA-N 1 0 318.339 2.408 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc2c(c1)OCCCO2 ZINC000180583310 199179970 /nfs/dbraw/zinc/17/99/70/199179970.db2.gz QEQHXISWNVZERC-TZMCWYRMSA-N 1 0 314.389 2.105 10 0 DEAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)[C@@H](C)C(C)(C)C ZINC000089007257 192694142 /nfs/dbraw/zinc/69/41/42/192694142.db2.gz OURKGYHWVYBTOK-KBPBESRZSA-N 1 0 319.515 2.062 10 0 DEAERO [NH3+]CCCCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000181073090 199248843 /nfs/dbraw/zinc/24/88/43/199248843.db2.gz MUAMLRYEHBDUHS-QWHCGFSZSA-N 1 0 311.223 2.408 10 0 DEAERO CCC[NH2+]Cc1cc(C)c(C)c(S(=O)(=O)N[C@H]2C[C@@H]2C)c1 ZINC000089024797 192705393 /nfs/dbraw/zinc/70/53/93/192705393.db2.gz YOHLUMQSIZKVRT-WFASDCNBSA-N 1 0 310.463 2.490 10 0 DEAERO Cc1nn(C)c(C[NH2+][C@H](C)[C@@H]2CCCO2)c1Br ZINC000089231851 192746049 /nfs/dbraw/zinc/74/60/49/192746049.db2.gz VBICKJVQOJDBOD-KCJUWKMLSA-N 1 0 302.216 2.148 10 0 DEAERO CCC[NH2+][C@@H](Cc1c(Cl)c(C)nn1CC)[C@@H]1COCCO1 ZINC000089298168 192761163 /nfs/dbraw/zinc/76/11/63/192761163.db2.gz JZKMMIHONVDZSL-JSGCOSHPSA-N 1 0 315.845 2.191 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@]1([NH3+])CCCOC1 ZINC000089292333 192760785 /nfs/dbraw/zinc/76/07/85/192760785.db2.gz VABDXBIKWDDDDI-GFCCVEGCSA-N 1 0 302.216 2.024 10 0 DEAERO CCc1nn(CC)c(C[C@H](COC)[NH2+]C)c1Br ZINC000089359353 192772809 /nfs/dbraw/zinc/77/28/09/192772809.db2.gz FMACQHVXQKFXGF-SECBINFHSA-N 1 0 304.232 2.005 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)COc1ccccc1C(C)(C)C ZINC000186738198 200000181 /nfs/dbraw/zinc/00/01/81/200000181.db2.gz RXFVIGIVPBXMAL-HIFRSBDPSA-N 1 0 304.434 2.477 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089532187 192811208 /nfs/dbraw/zinc/81/12/08/192811208.db2.gz KSZANDJQBBAMRC-LSDHHAIUSA-N 1 0 310.463 2.347 10 0 DEAERO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CC1(CO)CC1 ZINC000186782662 200008939 /nfs/dbraw/zinc/00/89/39/200008939.db2.gz ILXNGGVJYQMWAG-AWEZNQCLSA-N 1 0 302.418 2.059 10 0 DEAERO C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC1(CO)CC1 ZINC000186808728 200014109 /nfs/dbraw/zinc/01/41/09/200014109.db2.gz HUXLRVCSKNQUSJ-QGZVFWFLSA-N 1 0 316.445 2.275 10 0 DEAERO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1nccs1 ZINC000187011234 200047679 /nfs/dbraw/zinc/04/76/79/200047679.db2.gz OHWJPBAWRLPPEP-AGIUHOORSA-N 1 0 310.467 2.371 10 0 DEAERO C[C@H]1NC(=S)N(C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1=O ZINC000189417920 291188267 /nfs/dbraw/zinc/18/82/67/291188267.db2.gz WQQUWHKRHHQRBI-CXAGYDPISA-N 1 0 317.458 2.146 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@](C)(O)c1ccccc1 ZINC000187041431 200051995 /nfs/dbraw/zinc/05/19/95/200051995.db2.gz PZFHNCQVQMUXEX-QAPCUYQASA-N 1 0 321.465 2.314 10 0 DEAERO CO[C@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC000187325330 200095765 /nfs/dbraw/zinc/09/57/65/200095765.db2.gz LBIWLTLMERWLGD-YOEHRIQHSA-N 1 0 319.449 2.315 10 0 DEAERO CCc1ncc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cn1 ZINC000187629622 200136585 /nfs/dbraw/zinc/13/65/85/200136585.db2.gz ZVEDXGZNDHFQBV-ZDUSSCGKSA-N 1 0 305.426 2.425 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000187931602 200178187 /nfs/dbraw/zinc/17/81/87/200178187.db2.gz NEDCAVJGVMHBLY-IAQYHMDHSA-N 1 0 311.813 2.156 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N2CCc3sccc3C2)C1 ZINC000187944420 200180565 /nfs/dbraw/zinc/18/05/65/200180565.db2.gz XEIWJGKEVGCXLD-SUMWQHHRSA-N 1 0 322.474 2.116 10 0 DEAERO CCCCCNC(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188082741 200191397 /nfs/dbraw/zinc/19/13/97/200191397.db2.gz OFHRJWJXTPUMCL-GJZGRUSLSA-N 1 0 310.463 2.062 10 0 DEAERO [NH3+]Cc1cc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)co1 ZINC000188268912 200219960 /nfs/dbraw/zinc/21/99/60/200219960.db2.gz KTFKJJXKPVUQDZ-LLVKDONJSA-N 1 0 321.327 2.025 10 0 DEAERO CO[C@H]1C[N@H+](Cc2ccccc2N2CCOCC2)CC[C@H]1C ZINC000188329328 200228261 /nfs/dbraw/zinc/22/82/61/200228261.db2.gz CJYFHESYZPNIKO-QAPCUYQASA-N 1 0 304.434 2.380 10 0 DEAERO CC[C@]1(C)CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000188682815 200286823 /nfs/dbraw/zinc/28/68/23/200286823.db2.gz YUOORCLENXYFHG-SJLPKXTDSA-N 1 0 304.434 2.187 10 0 DEAERO C[C@@H](CC[NH2+]Cc1ccncc1Br)[S@](C)=O ZINC000601111605 359925692 /nfs/dbraw/zinc/92/56/92/359925692.db2.gz UJYDWEAXIFIDMV-FVMDXXJSSA-N 1 0 305.241 2.091 10 0 DEAERO COc1cc(CN(C)CC2([NH+](C)C)CCC2)cc2c1OCCO2 ZINC000189008858 200335166 /nfs/dbraw/zinc/33/51/66/200335166.db2.gz TVRZBXGJVUJEFB-UHFFFAOYSA-N 1 0 320.433 2.383 10 0 DEAERO C[C@@H]1CN(C(=O)CCc2cccc(OC(C)(C)C)n2)CC[NH2+]1 ZINC000189020828 200336641 /nfs/dbraw/zinc/33/66/41/200336641.db2.gz MPESGKVNSCMXNX-CYBMUJFWSA-N 1 0 305.422 2.012 10 0 DEAERO COc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c1 ZINC000189333643 200383787 /nfs/dbraw/zinc/38/37/87/200383787.db2.gz PZTNUCIBQKIXBL-CJNGLKHVSA-N 1 0 306.406 2.381 10 0 DEAERO Cn1cc(-c2nc(CN3CC[NH+](C4CCC4)CC3)cs2)cn1 ZINC000603557003 360844477 /nfs/dbraw/zinc/84/44/77/360844477.db2.gz YXCRMUBMLGWCPZ-UHFFFAOYSA-N 1 0 317.462 2.214 10 0 DEAERO COC[C@@H](NC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000606667700 361031214 /nfs/dbraw/zinc/03/12/14/361031214.db2.gz KXPRBEDDJHZOTQ-RHSMWYFYSA-N 1 0 319.449 2.404 10 0 DEAERO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc3nccn3c2)CC1 ZINC000606583804 361023398 /nfs/dbraw/zinc/02/33/98/361023398.db2.gz OGOJAOYOKGNAFN-UHFFFAOYSA-N 1 0 301.394 2.329 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2c[nH]c3ncccc23)CC1 ZINC000607924267 361129981 /nfs/dbraw/zinc/12/99/81/361129981.db2.gz INAYNDCMOKFHQX-UHFFFAOYSA-N 1 0 300.406 2.415 10 0 DEAERO c1nc2c(ncnc2N2CC[C@@H](C[NH+]3CCCC3)C2)n1C1CC1 ZINC000292789641 223246966 /nfs/dbraw/zinc/24/69/66/223246966.db2.gz QIHQLQMCVBYWLF-ZDUSSCGKSA-N 1 0 312.421 2.083 10 0 DEAERO COc1cc(CN(C)C(=O)C[N@H+](C)C2CCC2)cc(OC)c1 ZINC000608565411 361233386 /nfs/dbraw/zinc/23/33/86/361233386.db2.gz WKQKPFZSYGGUMY-UHFFFAOYSA-N 1 0 306.406 2.147 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccoc1Br ZINC000193323232 201029676 /nfs/dbraw/zinc/02/96/76/201029676.db2.gz KRBRPFHDVPZLDG-NXEZZACHSA-N 1 0 313.195 2.351 10 0 DEAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000193358426 201038163 /nfs/dbraw/zinc/03/81/63/201038163.db2.gz DNMSSPMNJXRDKV-YOEHRIQHSA-N 1 0 318.421 2.096 10 0 DEAERO CCCn1nccc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193530342 201069668 /nfs/dbraw/zinc/06/96/68/201069668.db2.gz XJDBKKSNDFONDU-UHFFFAOYSA-N 1 0 305.426 2.289 10 0 DEAERO C[NH2+][C@@H]1CCCN([C@@H]2CCCN(c3ccc(F)cc3C)C2=O)C1 ZINC000261820982 283659991 /nfs/dbraw/zinc/65/99/91/283659991.db2.gz UMVCVJUSACVPCR-NVXWUHKLSA-N 1 0 319.424 2.313 10 0 DEAERO Cc1cc(C)c(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c(C)c1 ZINC000193732491 201113008 /nfs/dbraw/zinc/11/30/08/201113008.db2.gz HEOASOQVRDQUQS-UHFFFAOYSA-N 1 0 317.433 2.103 10 0 DEAERO NC(=O)C[C@@H]1CC[N@H+](Cc2ccsc2Br)C1 ZINC000628282873 366792344 /nfs/dbraw/zinc/79/23/44/366792344.db2.gz VZEKIXBWXGZQHB-QMMMGPOBSA-N 1 0 303.225 2.208 10 0 DEAERO NC(=O)C[C@H]1CC[N@H+](Cc2ccsc2Br)C1 ZINC000628282872 366793082 /nfs/dbraw/zinc/79/30/82/366793082.db2.gz VZEKIXBWXGZQHB-MRVPVSSYSA-N 1 0 303.225 2.208 10 0 DEAERO Cc1ccc([C@H](O)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000194190999 201195008 /nfs/dbraw/zinc/19/50/08/201195008.db2.gz BNYPVMCCKPQVRB-IAGOWNOFSA-N 1 0 321.465 2.304 10 0 DEAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611405498 361593035 /nfs/dbraw/zinc/59/30/35/361593035.db2.gz FUOCGXKOUWYHIO-CJNGLKHVSA-N 1 0 320.433 2.431 10 0 DEAERO c1cc(C[NH2+]CCCOC[C@@H]2CCOC2)n(-c2ccccc2)n1 ZINC000447933094 239179416 /nfs/dbraw/zinc/17/94/16/239179416.db2.gz SGOOEUNWEQTDLA-INIZCTEOSA-N 1 0 315.417 2.405 10 0 DEAERO C[C@@H]1CN(CC(=O)NC(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000448552106 239365699 /nfs/dbraw/zinc/36/56/99/239365699.db2.gz MGRVCAOGZAIPNV-INIZCTEOSA-N 1 0 317.477 2.355 10 0 DEAERO c1cc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)n(CCc2ccccc2)n1 ZINC000621337328 364358131 /nfs/dbraw/zinc/35/81/31/364358131.db2.gz VJAXKWMGXFUQAL-QGZVFWFLSA-N 1 0 321.428 2.496 10 0 DEAERO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000621768913 364539263 /nfs/dbraw/zinc/53/92/63/364539263.db2.gz WNFPFXUGUXKFOL-KOLCDFICSA-N 1 0 304.362 2.030 10 0 DEAERO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CC(CC3CC3)C2)cc1 ZINC000621992107 364624664 /nfs/dbraw/zinc/62/46/64/364624664.db2.gz MGXBNJZSDBMRFZ-KRWDZBQOSA-N 1 0 303.402 2.361 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623423559 365025005 /nfs/dbraw/zinc/02/50/05/365025005.db2.gz KHMAHMMXOUUIMY-SECBINFHSA-N 1 0 313.366 2.434 10 0 DEAERO CN1CCOC[C@@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000623710750 365139724 /nfs/dbraw/zinc/13/97/24/365139724.db2.gz MPGQDARURWIALL-LBPRGKRZSA-N 1 0 317.202 2.008 10 0 DEAERO C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623897629 365213113 /nfs/dbraw/zinc/21/31/13/365213113.db2.gz QJVXBCKFNJLLPU-YTQUADARSA-N 1 0 318.461 2.171 10 0 DEAERO C[NH2+]Cc1cc(=O)[nH]c(-c2cc(F)cc(Br)c2)n1 ZINC000091332325 193041824 /nfs/dbraw/zinc/04/18/24/193041824.db2.gz AXMDPGFQGQEESS-UHFFFAOYSA-N 1 0 312.142 2.058 10 0 DEAERO CCS(=O)(=O)CCn1ncc(C[NH2+]C(C)(C)C)c1C(C)C ZINC000091339850 193044107 /nfs/dbraw/zinc/04/41/07/193044107.db2.gz IYVOGQZTXMPXIJ-UHFFFAOYSA-N 1 0 315.483 2.329 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091546791 193071619 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C[NH2+][C@H](Cc1c(F)cccc1Cl)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721137 193097391 /nfs/dbraw/zinc/09/73/91/193097391.db2.gz FGQCVSZVHSWPTH-LYRGGWFBSA-N 1 0 312.816 2.473 10 0 DEAERO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1cccs1)CCC2 ZINC000624388513 365406189 /nfs/dbraw/zinc/40/61/89/365406189.db2.gz ZWEABOQRMUYNHY-UHFFFAOYSA-N 1 0 308.428 2.348 10 0 DEAERO COC(=O)[C@@H](O)C1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000092014738 193141624 /nfs/dbraw/zinc/14/16/24/193141624.db2.gz SBMWFQJCVRBHBJ-INIZCTEOSA-N 1 0 321.417 2.058 10 0 DEAERO COc1cc(Br)c([C@H](O)[C@@H](C)C[NH3+])cc1OC ZINC000091908907 193124782 /nfs/dbraw/zinc/12/47/82/193124782.db2.gz QVJQRLQJRWSCKP-JVXZTZIISA-N 1 0 304.184 2.095 10 0 DEAERO CCCC1CCC(C[NH3+])([C@@]2(O)CCC[C@H]2S(C)(=O)=O)CC1 ZINC000091922121 193127193 /nfs/dbraw/zinc/12/71/93/193127193.db2.gz GRAHJYNZUMTMDO-GYTBAZASSA-N 1 0 317.495 2.250 10 0 DEAERO Fc1cc(CNC2=[NH+]CCCN2)c(F)cc1Br ZINC000630386941 367626531 /nfs/dbraw/zinc/62/65/31/367626531.db2.gz BOGFARXUXJNLLI-UHFFFAOYSA-N 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2.462 10 0 DEAERO CC(C)C[NH2+]CC/C=C/C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093703153 193295203 /nfs/dbraw/zinc/29/52/03/193295203.db2.gz QMPXNKKEJCUMHE-MBVDDHJVSA-N 1 0 302.484 2.240 10 0 DEAERO CC[NH2+][C@@H](CCC[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093702273 193295630 /nfs/dbraw/zinc/29/56/30/193295630.db2.gz LYLMWZCTCSOQMW-GJZGRUSLSA-N 1 0 304.500 2.462 10 0 DEAERO CCC[NH2+][C@@H]1CCC[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000093730400 193297806 /nfs/dbraw/zinc/29/78/06/193297806.db2.gz FXILALRBOZSLIE-KGLIPLIRSA-N 1 0 307.404 2.477 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H](n2nc(C)c(Cl)c2C)C1 ZINC000093759598 193301514 /nfs/dbraw/zinc/30/15/14/193301514.db2.gz GWOOIVHJBIYYNJ-SWLSCSKDSA-N 1 0 312.845 2.492 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2cc(F)ccc2F)C1 ZINC000093778267 193305639 /nfs/dbraw/zinc/30/56/39/193305639.db2.gz FCCMUELAMPUOOJ-YGRLFVJLSA-N 1 0 300.374 2.443 10 0 DEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@H](n2cc(Br)cn2)C1 ZINC000093784226 193307404 /nfs/dbraw/zinc/30/74/04/193307404.db2.gz QMRSQZAYHCVKQH-STQMWFEESA-N 1 0 316.243 2.490 10 0 DEAERO COc1ccc2[nH]c(S[C@@H]3CCC[C@@]([NH3+])(CO)C3)nc2c1 ZINC000093786671 193307565 /nfs/dbraw/zinc/30/75/65/193307565.db2.gz PHTZIWSVQMSTSB-ABAIWWIYSA-N 1 0 307.419 2.296 10 0 DEAERO C[NH2+][C@]1(CO)CCC[C@@H](n2nc(C)c(Br)c2C)C1 ZINC000093783889 193307953 /nfs/dbraw/zinc/30/79/53/193307953.db2.gz AVJHFLKLDDAGSS-DGCLKSJQSA-N 1 0 316.243 2.328 10 0 DEAERO [NH3+][C@H](c1cscc1Br)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000093655045 193284319 /nfs/dbraw/zinc/28/43/19/193284319.db2.gz JXKPGBWDPIMCRU-JFUSQASVSA-N 1 0 317.252 2.374 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C1 ZINC000093996206 193337179 /nfs/dbraw/zinc/33/71/79/193337179.db2.gz GQSMRYXPJMFIFM-TUAOUCFPSA-N 1 0 309.435 2.207 10 0 DEAERO Cc1cc(S(=O)(=O)NC2C(C)(C)C([NH3+])C2(C)C)c(C)s1 ZINC000094006540 193338650 /nfs/dbraw/zinc/33/86/50/193338650.db2.gz QYGLEHSTUXFAGJ-UHFFFAOYSA-N 1 0 316.492 2.405 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2ccc(C(F)(F)F)cn2)C1 ZINC000093850374 193317956 /nfs/dbraw/zinc/31/79/56/193317956.db2.gz LTPDUIHTWUPMQZ-CABZTGNLSA-N 1 0 319.352 2.189 10 0 DEAERO CC(C)[NH2+][C@@]1(CO)CC[C@H](n2cc(Br)cn2)C1 ZINC000093857928 193319672 /nfs/dbraw/zinc/31/96/72/193319672.db2.gz ZOXGVBRZBDTCPD-RYUDHWBXSA-N 1 0 302.216 2.100 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(F)ccc1C ZINC000093878082 193322082 /nfs/dbraw/zinc/32/20/82/193322082.db2.gz SZLUYFIXGBTAAP-UHFFFAOYSA-N 1 0 302.415 2.130 10 0 DEAERO CCN(Cc1csc(N(CC)C(C)=O)n1)CC(C)(C)C[NH3+] ZINC000093891537 193323864 /nfs/dbraw/zinc/32/38/64/193323864.db2.gz NUZKEASAGGZUSV-UHFFFAOYSA-N 1 0 312.483 2.323 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)[C@H]1CN(C)CCN1C ZINC000093895017 193325467 /nfs/dbraw/zinc/32/54/67/193325467.db2.gz KEQVPKLEMWCCAE-JKSUJKDBSA-N 1 0 313.848 2.246 10 0 DEAERO CN1CCO[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000093938962 193330203 /nfs/dbraw/zinc/33/02/03/193330203.db2.gz WQWQTVJNLBBQAV-CYBMUJFWSA-N 1 0 317.202 2.008 10 0 DEAERO Cc1ccccc1S(=O)(=O)N(CC1CC[NH2+]CC1)C(C)C ZINC000094024108 193339452 /nfs/dbraw/zinc/33/94/52/193339452.db2.gz ORUHLGLHZFUBFA-UHFFFAOYSA-N 1 0 310.463 2.394 10 0 DEAERO C[NH2+][C@H]1[C@@H](CN2CCN(CC(F)(F)F)CC2)CCC1(C)C ZINC000094318371 193359432 /nfs/dbraw/zinc/35/94/32/193359432.db2.gz HNLFPIVIBNSSGG-OLZOCXBDSA-N 1 0 307.404 2.191 10 0 DEAERO C[NH+](C)CCCOc1nc(C(F)(F)F)ccc1C(N)=S ZINC000094336374 193360887 /nfs/dbraw/zinc/36/08/87/193360887.db2.gz QIELQSJWNCNSHU-UHFFFAOYSA-N 1 0 307.341 2.065 10 0 DEAERO C[NH+](C)C(C)(C)CNc1nc(C(F)(F)F)ccc1C(N)=S ZINC000094336099 193360950 /nfs/dbraw/zinc/36/09/50/193360950.db2.gz OPSATSVSBBZIFU-UHFFFAOYSA-N 1 0 320.384 2.487 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000094345056 193362662 /nfs/dbraw/zinc/36/26/62/193362662.db2.gz QNLCFNUNMOUSRI-WDSKDSINSA-N 1 0 308.250 2.110 10 0 DEAERO COC[C@H](O)COc1c(F)cc(C[NH2+]C(C)(C)C)cc1F ZINC000094347902 193363696 /nfs/dbraw/zinc/36/36/96/193363696.db2.gz AIRJSRVYYYWDJR-NSHDSACASA-N 1 0 303.349 2.239 10 0 DEAERO CC(C)NC(=O)[C@@H](C)Oc1c(F)cc(C[C@@H](C)[NH3+])cc1F ZINC000094350115 193363718 /nfs/dbraw/zinc/36/37/18/193363718.db2.gz VOBZOLQFASPGOH-NXEZZACHSA-N 1 0 300.349 2.146 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@H](N(CCC[NH3+])c2ccccc2)C1 ZINC000094634599 193386597 /nfs/dbraw/zinc/38/65/97/193386597.db2.gz RGUHEHCPODKRKO-HOTGVXAUSA-N 1 0 310.463 2.198 10 0 DEAERO Cc1nn([C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1C[NH2+]C(C)C ZINC000094644432 193389368 /nfs/dbraw/zinc/38/93/68/193389368.db2.gz FGXDWRAABQBJPV-GJZGRUSLSA-N 1 0 313.467 2.218 10 0 DEAERO C[NH2+]Cc1cc(Br)c(O[C@H](C)[C@@H](C)O)c(OC)c1 ZINC000094653060 193390553 /nfs/dbraw/zinc/39/05/53/193390553.db2.gz UAAPAJYOHVNDRP-RKDXNWHRSA-N 1 0 318.211 2.325 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C(N)=S)cc1F ZINC000094460683 193372157 /nfs/dbraw/zinc/37/21/57/193372157.db2.gz CFPGQQPEXJHRDJ-BXUZGUMPSA-N 1 0 307.438 2.128 10 0 DEAERO COCC[NH2+]CCc1c(C)nc(CCC(F)(F)F)nc1C ZINC000094494002 193373136 /nfs/dbraw/zinc/37/31/36/193373136.db2.gz VRBXVFDXEBBXGH-UHFFFAOYSA-N 1 0 305.344 2.367 10 0 DEAERO C[NH+](C)C(C)(C)CNc1nc(Br)cn2ccnc12 ZINC000094489875 193373497 /nfs/dbraw/zinc/37/34/97/193373497.db2.gz CHQJSEOSUOCFTC-UHFFFAOYSA-N 1 0 312.215 2.244 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)[C@H]1CSCCS1 ZINC000094498746 193374237 /nfs/dbraw/zinc/37/42/37/193374237.db2.gz XSHOAPJAAGUVAK-VXGBXAGGSA-N 1 0 311.538 2.028 10 0 DEAERO CC[NH2+][C@H](Cc1ncnn1CC(C)C)[C@H]1CSCCS1 ZINC000094497546 193374257 /nfs/dbraw/zinc/37/42/57/193374257.db2.gz FVQYKLRCXZVLMA-CHWSQXEVSA-N 1 0 314.524 2.303 10 0 DEAERO COCC[NH2+]Cc1c(C)nc([C@@H]2CSCCS2)nc1C ZINC000094500192 193374454 /nfs/dbraw/zinc/37/44/54/193374454.db2.gz MCEUKINYYRIDGN-ZDUSSCGKSA-N 1 0 313.492 2.351 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)[C@@H]1CSCCS1 ZINC000094498744 193374493 /nfs/dbraw/zinc/37/44/93/193374493.db2.gz XSHOAPJAAGUVAK-NEPJUHHUSA-N 1 0 311.538 2.028 10 0 DEAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@H]1CSCCS1 ZINC000094499561 193374568 /nfs/dbraw/zinc/37/45/68/193374568.db2.gz ZABJTKSSXIWSQP-MWLCHTKSSA-N 1 0 305.900 2.361 10 0 DEAERO C[NH2+][C@H](Cc1c(Cl)cccc1Cl)[C@H]1CN2CCN1CC2 ZINC000094509040 193376210 /nfs/dbraw/zinc/37/62/10/193376210.db2.gz XFTYKRDXUVTDOK-HUUCEWRRSA-N 1 0 314.260 2.124 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000094549862 193378814 /nfs/dbraw/zinc/37/88/14/193378814.db2.gz SZMUVZNUFYBVGU-SCZZXKLOSA-N 1 0 315.186 2.398 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(Br)ccc1O ZINC000094573763 193381774 /nfs/dbraw/zinc/38/17/74/193381774.db2.gz MDIXTLCGXFLNSQ-MRVPVSSYSA-N 1 0 301.184 2.481 10 0 DEAERO C[NH+](C)C(C)(C)CNc1nc2c(Br)cccn2n1 ZINC000094604781 193383537 /nfs/dbraw/zinc/38/35/37/193383537.db2.gz REJGXVYSBKVFSA-UHFFFAOYSA-N 1 0 312.215 2.244 10 0 DEAERO CN(c1nc2ccc(Br)cn2n1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000094608855 193384386 /nfs/dbraw/zinc/38/43/86/193384386.db2.gz LUUQEATZAJDHTG-KOLCDFICSA-N 1 0 324.226 2.055 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1nc2ccc(Br)cn2n1 ZINC000094608831 193384744 /nfs/dbraw/zinc/38/47/44/193384744.db2.gz SJPGLVYGMSWWOX-ONGXEEELSA-N 1 0 324.226 2.421 10 0 DEAERO [NH3+]CC[C@@H]1CCCCN1c1nc2ccc(Br)cn2n1 ZINC000094608359 193384750 /nfs/dbraw/zinc/38/47/50/193384750.db2.gz PFLRLJCZUUSHOC-NSHDSACASA-N 1 0 324.226 2.200 10 0 DEAERO Brc1cccn2nc(NC[C@@H]3CCCC[NH2+]3)nc12 ZINC000094607623 193384787 /nfs/dbraw/zinc/38/47/87/193384787.db2.gz WUGXFIUFBKKCLO-VIFPVBQESA-N 1 0 310.199 2.046 10 0 DEAERO [NH3+]CC[C@@H]1CCCN(c2nc3c(Br)cccn3n2)C1 ZINC000094608407 193384873 /nfs/dbraw/zinc/38/48/73/193384873.db2.gz LTZLVOAVTAKKIK-JTQLQIEISA-N 1 0 324.226 2.057 10 0 DEAERO CCC[NH2+][C@@H](C)c1ccnc(SCCS(C)(=O)=O)c1 ZINC000095002728 193411734 /nfs/dbraw/zinc/41/17/34/193411734.db2.gz LNDNOJPDYSCNMC-NSHDSACASA-N 1 0 302.465 2.279 10 0 DEAERO NC(=O)c1cc(NC(=O)[C@H]2CCCCC[C@@H]2[NH3+])ccc1Cl ZINC000094750600 193395219 /nfs/dbraw/zinc/39/52/19/193395219.db2.gz RDURCHIXWRRRCI-GWCFXTLKSA-N 1 0 309.797 2.285 10 0 DEAERO COC1([C@@H](C)[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)CCOCC1 ZINC000453460373 245151356 /nfs/dbraw/zinc/15/13/56/245151356.db2.gz WNTCRCJURXKSEZ-AEFFLSMTSA-N 1 0 321.461 2.381 10 0 DEAERO COC(=O)[C@H](c1ccccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177778648 284305451 /nfs/dbraw/zinc/30/54/51/284305451.db2.gz MHKDBKKQTNZPRR-CJNGLKHVSA-N 1 0 306.381 2.210 10 0 DEAERO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2Cc2nc(C)ccc2O)c1 ZINC000282689022 217176843 /nfs/dbraw/zinc/17/68/43/217176843.db2.gz IVMZNUVHMIMZEA-YOEHRIQHSA-N 1 0 314.385 2.412 10 0 DEAERO COC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000449841382 284330198 /nfs/dbraw/zinc/33/01/98/284330198.db2.gz VCSAYBVPNFUYAV-HOCLYGCPSA-N 1 0 322.449 2.195 10 0 DEAERO CCOCC[C@@H](Cc1c(Br)c(C)nn1C)[NH2+]C ZINC000097278762 193703077 /nfs/dbraw/zinc/70/30/77/193703077.db2.gz LWUATHJKGGXGDN-JTQLQIEISA-N 1 0 304.232 2.048 10 0 DEAERO CN1C[C@@H]2C[C@@H](c3cccn3-c3cccnc3)[N@@H+]3CCC[C@@]23C1=O ZINC000019841439 182155604 /nfs/dbraw/zinc/15/56/04/182155604.db2.gz ZMANNEGWFHCNAY-FNHZYXHNSA-N 1 0 322.412 2.240 10 0 DEAERO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CC[NH2+]CC1 ZINC000020269992 182201747 /nfs/dbraw/zinc/20/17/47/182201747.db2.gz NLFJJTUFMQWXCM-VIFPVBQESA-N 1 0 302.205 2.226 10 0 DEAERO CSc1nc(N[C@H]2CCOc3ccccc32)cc(NN)[nH+]1 ZINC000159999820 197379101 /nfs/dbraw/zinc/37/91/01/197379101.db2.gz GDFLTEGAHIRCKK-JTQLQIEISA-N 1 0 303.391 2.420 10 0 DEAERO CSc1nc(N[C@@H]2CCc3ccccc3C2)cc(NN)[nH+]1 ZINC000159980073 197378049 /nfs/dbraw/zinc/37/80/49/197378049.db2.gz LXUDSQACXRGADF-GFCCVEGCSA-N 1 0 301.419 2.454 10 0 DEAERO CSc1nc(N2CC[C@H](c3ccccc3)C2)cc(NN)[nH+]1 ZINC000159953505 197375849 /nfs/dbraw/zinc/37/58/49/197375849.db2.gz WQBIKBBIZMUZFR-LBPRGKRZSA-N 1 0 301.419 2.478 10 0 DEAERO CCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000097896627 193765346 /nfs/dbraw/zinc/76/53/46/193765346.db2.gz XKVKSMOPXSKPIO-UHFFFAOYSA-N 1 0 320.817 2.242 10 0 DEAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000097896757 193765453 /nfs/dbraw/zinc/76/54/53/193765453.db2.gz CUAJXBCGIIYRPQ-UHFFFAOYSA-N 1 0 320.817 2.099 10 0 DEAERO CCN(CC)C(=O)C1(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000261754622 284460995 /nfs/dbraw/zinc/46/09/95/284460995.db2.gz MYEOMUHCEAQHLJ-HUUCEWRRSA-N 1 0 323.481 2.049 10 0 DEAERO CCCCn1c2ccccc2nc1NCCN1CC[NH2+]CC1 ZINC000022878512 182339161 /nfs/dbraw/zinc/33/91/61/182339161.db2.gz AJRWVVOJJPRKAD-UHFFFAOYSA-N 1 0 301.438 2.154 10 0 DEAERO CN(Cc1ccc(F)cc1C(N)=S)CC1([NH+](C)C)CCC1 ZINC000097928089 193767425 /nfs/dbraw/zinc/76/74/25/193767425.db2.gz KEMIYVKYHJPNHK-UHFFFAOYSA-N 1 0 309.454 2.376 10 0 DEAERO CCN(CC)C(=O)C1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263265669 284464159 /nfs/dbraw/zinc/46/41/59/284464159.db2.gz RNQVXUZWKZSSLJ-MAUKXSAKSA-N 1 0 323.481 2.001 10 0 DEAERO CCCn1cc(Br)cc1C(=O)NCCC[NH+](C)C ZINC000036859966 182849395 /nfs/dbraw/zinc/84/93/95/182849395.db2.gz NSRJXKQESRYXBL-UHFFFAOYSA-N 1 0 316.243 2.342 10 0 DEAERO [NH3+][C@H](c1cc2c(cc1Br)OCCO2)[C@@H]1CCCO1 ZINC000036925960 182852921 /nfs/dbraw/zinc/85/29/21/182852921.db2.gz OFEGRLRLADYIAT-GXFFZTMASA-N 1 0 314.179 2.399 10 0 DEAERO CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000036950968 182854712 /nfs/dbraw/zinc/85/47/12/182854712.db2.gz NSNQFLPXHANXIM-VIFPVBQESA-N 1 0 308.603 2.452 10 0 DEAERO CC(C)[C@@H]([NH3+])C(=O)Nc1cc(Br)ccc1N(C)C ZINC000037041935 182863980 /nfs/dbraw/zinc/86/39/80/182863980.db2.gz JGMHPLXMKIEZFS-GFCCVEGCSA-N 1 0 314.227 2.437 10 0 DEAERO COC[C@H](NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000458457909 248319446 /nfs/dbraw/zinc/31/94/46/248319446.db2.gz DXCRTZKBRUEMDL-ZENOOKHLSA-N 1 0 323.412 2.247 10 0 DEAERO O=C(Nc1cc(Cl)ccc1-n1cccn1)[C@@H]1CCC[NH2+]C1 ZINC000037766093 182924184 /nfs/dbraw/zinc/92/41/84/182924184.db2.gz IXUJLVCAODYZPY-LLVKDONJSA-N 1 0 304.781 2.464 10 0 DEAERO C[NH+](C)CCCn1c2ccc(C(F)(F)F)cc2nc1CO ZINC000040404026 183062348 /nfs/dbraw/zinc/06/23/48/183062348.db2.gz KEVUEDVCTFISPA-UHFFFAOYSA-N 1 0 301.312 2.499 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000040652746 183114321 /nfs/dbraw/zinc/11/43/21/183114321.db2.gz DZVPYWLMWBEHSL-AWEZNQCLSA-N 1 0 317.433 2.274 10 0 DEAERO COc1cccc(C[NH2+][C@@H]2CCCN(C)C2)c1OC(F)F ZINC000040672774 183116178 /nfs/dbraw/zinc/11/61/78/183116178.db2.gz BAJLYUNCFOVLRH-GFCCVEGCSA-N 1 0 300.349 2.480 10 0 DEAERO Cc1ccc([C@@H](CNS(C)(=O)=O)[NH+]2CCCCCC2)cc1 ZINC000040615851 183110266 /nfs/dbraw/zinc/11/02/66/183110266.db2.gz YLPVWBRGKRLASA-MRXNPFEDSA-N 1 0 310.463 2.461 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2SC(F)F)C1 ZINC000040630041 183110948 /nfs/dbraw/zinc/11/09/48/183110948.db2.gz LJDFRKVEAYARSX-PSASIEDQSA-N 1 0 302.346 2.317 10 0 DEAERO COC(=O)Cc1c(C)[nH+]c2ccccc2c1NC(C)(C)CO ZINC000041474646 183193993 /nfs/dbraw/zinc/19/39/93/183193993.db2.gz BEFUQWBZUSTBGW-UHFFFAOYSA-N 1 0 302.374 2.442 10 0 DEAERO CC[NH+](CC)C[C@@H](C)Nc1nc2c(cc1C(N)=S)CCC2 ZINC000041681160 183216215 /nfs/dbraw/zinc/21/62/15/183216215.db2.gz OZIHEYBLRPLAOK-LLVKDONJSA-N 1 0 306.479 2.347 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1O[C@@H](C)C(=O)N(C)C ZINC000042411495 183265074 /nfs/dbraw/zinc/26/50/74/183265074.db2.gz PGMBKCLWHRTJHP-VIFPVBQESA-N 1 0 315.211 2.024 10 0 DEAERO CCC(CC)[N@H+](CCO)CC(=O)Nc1cc(N)ccc1Cl ZINC000042483425 183276454 /nfs/dbraw/zinc/27/64/54/183276454.db2.gz DBFDETVNXKKUJF-UHFFFAOYSA-N 1 0 313.829 2.344 10 0 DEAERO CC(C)n1cc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000042549380 183284320 /nfs/dbraw/zinc/28/43/20/183284320.db2.gz SPGMAZCNJYFWNR-LLVKDONJSA-N 1 0 314.227 2.265 10 0 DEAERO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(N)=S)CC1CC1 ZINC000042583333 183287106 /nfs/dbraw/zinc/28/71/06/183287106.db2.gz HMRRKUJPIVVLOF-UHFFFAOYSA-N 1 0 305.447 2.380 10 0 DEAERO COCCN([C@@H](C[NH3+])c1cccc(Cl)c1)[C@@H](C)COC ZINC000042606661 183290422 /nfs/dbraw/zinc/29/04/22/183290422.db2.gz OJSSPTQCOJXULU-WFASDCNBSA-N 1 0 300.830 2.323 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(CC(N)=O)C1CCCC1 ZINC000043052482 183333158 /nfs/dbraw/zinc/33/31/58/183333158.db2.gz YCULDEVESYUEIE-BZNIZROVSA-N 1 0 309.841 2.458 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CC(=O)N1CCCC1 ZINC000042946071 183319800 /nfs/dbraw/zinc/31/98/00/183319800.db2.gz OTAFUFTYPPSWEX-MLGOLLRUSA-N 1 0 309.841 2.283 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCCC[C@@H]1C(N)=O ZINC000043052358 183332571 /nfs/dbraw/zinc/33/25/71/183332571.db2.gz ZCALABZPAGXTBD-RRFJBIMHSA-N 1 0 309.841 2.458 10 0 DEAERO Cn1cnnc1S[C@@H](C[NH3+])c1ccccc1Br ZINC000043095895 183337524 /nfs/dbraw/zinc/33/75/24/183337524.db2.gz YASYCSURIJXKRA-JTQLQIEISA-N 1 0 313.224 2.370 10 0 DEAERO COc1ccccc1[C@H](Sc1nnnn1C1CC1)[C@H](C)[NH3+] ZINC000043101092 183338578 /nfs/dbraw/zinc/33/85/78/183338578.db2.gz DNNMBNQTVFQBSG-TVQRCGJNSA-N 1 0 305.407 2.197 10 0 DEAERO O=C(CSc1ccc(C(F)(F)F)cn1)N1CCC[NH2+]CC1 ZINC000043402917 183359226 /nfs/dbraw/zinc/35/92/26/183359226.db2.gz PTYLSGTVDHLMGD-UHFFFAOYSA-N 1 0 319.352 2.014 10 0 DEAERO [NH3+][C@H](c1ccc(Br)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043299836 183351295 /nfs/dbraw/zinc/35/12/95/183351295.db2.gz XABPTPWGEBQVHZ-CPCISQLKSA-N 1 0 322.199 2.023 10 0 DEAERO [NH3+][C@H](c1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300030 183352151 /nfs/dbraw/zinc/35/21/51/183352151.db2.gz SVRHDCGOYUVTHM-MWLCHTKSSA-N 1 0 309.309 2.020 10 0 DEAERO C[NH2+][C@H](c1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300609 183352428 /nfs/dbraw/zinc/35/24/28/183352428.db2.gz XKYIMTOWHQBLNW-ZYHUDNBSSA-N 1 0 323.336 2.280 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1nnnn1-c1ccccc1)C(F)(F)F ZINC000043385900 183358177 /nfs/dbraw/zinc/35/81/77/183358177.db2.gz RFEOVXVMAVSKBK-UWVGGRQHSA-N 1 0 317.340 2.423 10 0 DEAERO C[NH+]1CCC(Oc2nc3c(cc2C(N)=S)CCCC3)CC1 ZINC000043411024 183360105 /nfs/dbraw/zinc/36/01/05/183360105.db2.gz GIQNOEZNOYKOKH-UHFFFAOYSA-N 1 0 305.447 2.068 10 0 DEAERO C[NH+](C)C1CCN(C(=O)C2(C(N)=S)CCCCCC2)CC1 ZINC000044776730 183438482 /nfs/dbraw/zinc/43/84/82/183438482.db2.gz NODLATAETGXDNZ-UHFFFAOYSA-N 1 0 311.495 2.166 10 0 DEAERO C=COCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000044493841 183414587 /nfs/dbraw/zinc/41/45/87/183414587.db2.gz HSBGKMHKJMPZPF-ZDUSSCGKSA-N 1 0 312.435 2.138 10 0 DEAERO CCc1ncsc1-c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000274120090 211374585 /nfs/dbraw/zinc/37/45/85/211374585.db2.gz WJPXABCXEFUBSK-ONGXEEELSA-N 1 0 306.391 2.291 10 0 DEAERO CC(C)[NH2+][C@](C)(CCCN(CC(F)(F)F)C1CC1)C(N)=O ZINC000045420746 183505690 /nfs/dbraw/zinc/50/56/90/183505690.db2.gz XIDVTXDGSUUPSA-CYBMUJFWSA-N 1 0 309.376 2.035 10 0 DEAERO CC[NH+](CC)[C@H](C(=O)N1CCN(C2CC2)CC1)c1ccccc1 ZINC000104870604 194048886 /nfs/dbraw/zinc/04/88/86/194048886.db2.gz VUWATOGMTBYQTJ-SFHVURJKSA-N 1 0 315.461 2.376 10 0 DEAERO CO[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000105107177 194074263 /nfs/dbraw/zinc/07/42/63/194074263.db2.gz NITRLJNEPCQKIJ-SJORKVTESA-N 1 0 317.433 2.254 10 0 DEAERO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000284819719 218191372 /nfs/dbraw/zinc/19/13/72/218191372.db2.gz OFZUYKFWNPHPMA-OKZBNKHCSA-N 1 0 305.418 2.195 10 0 DEAERO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000284819723 218191500 /nfs/dbraw/zinc/19/15/00/218191500.db2.gz OFZUYKFWNPHPMA-RCCFBDPRSA-N 1 0 305.418 2.195 10 0 DEAERO C[C@@H]1CC([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C[C@@H](C)C1 ZINC000329045082 296288765 /nfs/dbraw/zinc/28/87/65/296288765.db2.gz UOTYEWUYPXAABV-NOSGZIGASA-N 1 0 304.438 2.106 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)CC1(CC(=O)OC)CCCC1 ZINC000189024398 284757472 /nfs/dbraw/zinc/75/74/72/284757472.db2.gz DTHISTAKZMCHCS-AWEZNQCLSA-N 1 0 312.454 2.347 10 0 DEAERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2)CC[N@@H+]1CCOC ZINC000105835809 194141290 /nfs/dbraw/zinc/14/12/90/194141290.db2.gz OGGFRADGUWKQOB-DOTOQJQBSA-N 1 0 319.449 2.056 10 0 DEAERO CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000105852818 194146901 /nfs/dbraw/zinc/14/69/01/194146901.db2.gz GVAUMRZHBWMOMV-HZPDHXFCSA-N 1 0 318.465 2.483 10 0 DEAERO Cc1nccc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000284994886 218249276 /nfs/dbraw/zinc/24/92/76/218249276.db2.gz SYYBUWZCBWVBMK-XJKSGUPXSA-N 1 0 300.410 2.014 10 0 DEAERO Cc1cnn(CC[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)c1 ZINC000105881029 194155956 /nfs/dbraw/zinc/15/59/56/194155956.db2.gz ZZKBSIWOELHNEK-UHFFFAOYSA-N 1 0 313.357 2.102 10 0 DEAERO CCOc1ccc(NC(=O)[C@@H](C)[NH2+]CCn2cc(C)cn2)cc1 ZINC000105881403 194156369 /nfs/dbraw/zinc/15/63/69/194156369.db2.gz UEAYVHNSURRVJP-CQSZACIVSA-N 1 0 316.405 2.207 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000105897080 194162326 /nfs/dbraw/zinc/16/23/26/194162326.db2.gz AKCFMJQDFGFBOE-MRXNPFEDSA-N 1 0 312.417 2.382 10 0 DEAERO CCCCOC(=O)CC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105910099 194166361 /nfs/dbraw/zinc/16/63/61/194166361.db2.gz VQPATQIAIDUABI-UHFFFAOYSA-N 1 0 306.410 2.086 10 0 DEAERO CCCCOC(=O)CC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105910413 194166780 /nfs/dbraw/zinc/16/67/80/194166780.db2.gz BZHMQXIMDWWGDW-UHFFFAOYSA-N 1 0 320.437 2.111 10 0 DEAERO NNc1cc(N2CCN(c3cccc(Cl)c3)CC2)cc[nH+]1 ZINC000159405637 197351866 /nfs/dbraw/zinc/35/18/66/197351866.db2.gz XNDWIYXKHHOZAJ-UHFFFAOYSA-N 1 0 303.797 2.347 10 0 DEAERO O=C1[C@H]([NH+]2CCC(c3cc[nH]n3)CC2)CCN1c1ccccc1 ZINC000109327005 194258323 /nfs/dbraw/zinc/25/83/23/194258323.db2.gz HPAFSLHJOXLOBB-QGZVFWFLSA-N 1 0 310.401 2.395 10 0 DEAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000109465953 194266715 /nfs/dbraw/zinc/26/67/15/194266715.db2.gz MWQYCFWXHVSMDI-UHFFFAOYSA-N 1 0 311.495 2.166 10 0 DEAERO C[C@H](C(N)=S)[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000109468554 194266771 /nfs/dbraw/zinc/26/67/71/194266771.db2.gz TWJFRDVMLIOBHW-SNVBAGLBSA-N 1 0 315.845 2.271 10 0 DEAERO CC[C@H](c1nc(-c2cnn(CC)c2)cs1)N1CC[NH2+]CC1 ZINC000109472652 194267526 /nfs/dbraw/zinc/26/75/26/194267526.db2.gz NYNGCXDOUYFNQW-CQSZACIVSA-N 1 0 305.451 2.383 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000407994713 296310282 /nfs/dbraw/zinc/31/02/82/296310282.db2.gz CHMFIXAWAXDRDG-ZIAGYGMSSA-N 1 0 305.426 2.123 10 0 DEAERO c1cnn(CCCCC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000109821384 194289117 /nfs/dbraw/zinc/28/91/17/194289117.db2.gz KPYFPEYRNCKVIT-GOSISDBHSA-N 1 0 320.481 2.240 10 0 DEAERO O=c1ccccn1CC[NH2+]Cc1cccc(Br)c1 ZINC000110056543 194308038 /nfs/dbraw/zinc/30/80/38/194308038.db2.gz HBGPGNHJALWACF-UHFFFAOYSA-N 1 0 307.191 2.401 10 0 DEAERO C[NH2+]C[C@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCO1 ZINC000159325369 197345751 /nfs/dbraw/zinc/34/57/51/197345751.db2.gz YXDPFKKEEGLTEI-ZDUSSCGKSA-N 1 0 306.303 2.265 10 0 DEAERO CC[NH2+]C[C@H](CCS(=O)(=O)CC)Cc1cccc(OC)c1 ZINC000052978427 183882612 /nfs/dbraw/zinc/88/26/12/183882612.db2.gz YLYMSILLINSIRP-OAHLLOKOSA-N 1 0 313.463 2.288 10 0 DEAERO C[NH+](C)[C@H]1CCN(c2c(C(N)=S)cnc3ccccc32)C1 ZINC000110278277 194319580 /nfs/dbraw/zinc/31/95/80/194319580.db2.gz DHEAYHUYPJGCJT-NSHDSACASA-N 1 0 300.431 2.009 10 0 DEAERO [NH3+]CCc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1 ZINC000053159624 183890517 /nfs/dbraw/zinc/89/05/17/183890517.db2.gz DANQOWGVRHOBAO-UHFFFAOYSA-N 1 0 324.833 2.320 10 0 DEAERO NC(=S)C[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000110513829 194336100 /nfs/dbraw/zinc/33/61/00/194336100.db2.gz RMXREDHPEIBXRL-UHFFFAOYSA-N 1 0 317.380 2.109 10 0 DEAERO Cn1c(C[NH3+])nnc1SCc1c(F)c(F)c(F)c(F)c1F ZINC000110513591 194336274 /nfs/dbraw/zinc/33/62/74/194336274.db2.gz KWNGOXSZFWTCKA-UHFFFAOYSA-N 1 0 324.278 2.262 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCNC(=O)[C@@H]1CC ZINC000110677258 194349067 /nfs/dbraw/zinc/34/90/67/194349067.db2.gz QIVOHAHAYTYFKN-ILXRZTDVSA-N 1 0 309.841 2.329 10 0 DEAERO C[NH2+][C@H](CCN1CCOCC1)c1ccc(Br)cc1 ZINC000053937449 183916939 /nfs/dbraw/zinc/91/69/39/183916939.db2.gz JVOPKHMIGQLPFB-CQSZACIVSA-N 1 0 313.239 2.432 10 0 DEAERO C[C@H]1CCCN(S(=O)(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000110815667 194361057 /nfs/dbraw/zinc/36/10/57/194361057.db2.gz QHVINSCDCJZORR-ZDUSSCGKSA-N 1 0 308.447 2.143 10 0 DEAERO Brc1ccc2c(c1)CC[C@@H]([NH2+]Cc1nnc[nH]1)C2 ZINC000110821892 194361299 /nfs/dbraw/zinc/36/12/99/194361299.db2.gz PANIMNQZEADLPG-GFCCVEGCSA-N 1 0 307.195 2.214 10 0 DEAERO COc1ccc([C@H](C[NH3+])N2CCCOCC2)c(Cl)c1OC ZINC000110829619 194361941 /nfs/dbraw/zinc/36/19/41/194361941.db2.gz UZPQUNBSIUKXKT-LBPRGKRZSA-N 1 0 314.813 2.079 10 0 DEAERO CC1(C)Cc2cc(C[NH2+][C@]3(C)CCS(=O)(=O)C3)ccc2O1 ZINC000110909216 194368481 /nfs/dbraw/zinc/36/84/81/194368481.db2.gz WRNKYXOJURFFQY-MRXNPFEDSA-N 1 0 309.431 2.067 10 0 DEAERO CCN(Cc1csc(N(CC)C(C)=O)n1)[C@H]1CCC[NH2+]C1 ZINC000110943101 194372013 /nfs/dbraw/zinc/37/20/13/194372013.db2.gz ZQRNECWIEVFNJM-AWEZNQCLSA-N 1 0 310.467 2.090 10 0 DEAERO CCCN(c1ccccc1S(=O)(=O)CC)[C@@H]1CCC[NH2+]C1 ZINC000110948646 194373228 /nfs/dbraw/zinc/37/32/28/194373228.db2.gz HYITYTAPTOMRET-CQSZACIVSA-N 1 0 310.463 2.449 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(N)cc1Cl)N(C)CCC[NH+](C)C ZINC000111131511 194393000 /nfs/dbraw/zinc/39/30/00/194393000.db2.gz VWROVMBCSWJKEL-NSHDSACASA-N 1 0 312.845 2.133 10 0 DEAERO CCN(C(=O)CN1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000061041058 184161060 /nfs/dbraw/zinc/16/10/60/184161060.db2.gz VBUHWZWUGSDEBG-UHFFFAOYSA-N 1 0 301.434 2.210 10 0 DEAERO CC[NH2+]CCC(=O)NCc1cc(Br)ccc1F ZINC000061298946 184167768 /nfs/dbraw/zinc/16/77/68/184167768.db2.gz HHQRWGQLJTVADT-UHFFFAOYSA-N 1 0 303.175 2.204 10 0 DEAERO CC(C)n1c(Sc2ccc(C(N)=[NH2+])c(Cl)c2)n[nH]c1=O ZINC000061857059 184189958 /nfs/dbraw/zinc/18/99/58/184189958.db2.gz JEKBELVXFTYHPF-UHFFFAOYSA-N 1 0 311.798 2.241 10 0 DEAERO O=C(c1ccc(Br)cn1)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000061864081 184190613 /nfs/dbraw/zinc/19/06/13/184190613.db2.gz BJTMCLYVEHQUCD-DGCLKSJQSA-N 1 0 324.222 2.201 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)nc(N2CCCC2)n1 ZINC000061536831 184172771 /nfs/dbraw/zinc/17/27/71/184172771.db2.gz TYELIWAISRTCQW-NSHDSACASA-N 1 0 310.833 2.021 10 0 DEAERO CC(C)[N@H+](C)CCCCNc1nc(Cl)nc(N(C)C)n1 ZINC000061541540 184174233 /nfs/dbraw/zinc/17/42/33/184174233.db2.gz MLJNSBHGGLZGFO-UHFFFAOYSA-N 1 0 300.838 2.123 10 0 DEAERO [NH3+]C[C@]1(N2CCN(Cc3ccccc3)CC2)CCCSC1 ZINC000061589917 184175839 /nfs/dbraw/zinc/17/58/39/184175839.db2.gz OZQLGOUGWHJFDD-QGZVFWFLSA-N 1 0 305.491 2.029 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccc(C)o1 ZINC000061594716 184176099 /nfs/dbraw/zinc/17/60/99/184176099.db2.gz VZLWWGLTBFZSIH-CMPLNLGQSA-N 1 0 308.407 2.378 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1ccccc1F ZINC000061594339 184176118 /nfs/dbraw/zinc/17/61/18/184176118.db2.gz DKERCKLQZMHUCC-NEPJUHHUSA-N 1 0 310.398 2.301 10 0 DEAERO CCn1c(S[C@H](c2ccccc2Cl)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594275 184176149 /nfs/dbraw/zinc/17/61/49/184176149.db2.gz JBQLRGGWEWKKSD-KCJUWKMLSA-N 1 0 312.826 2.425 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1ccccc1C ZINC000061594272 184176244 /nfs/dbraw/zinc/17/62/44/184176244.db2.gz TXSQEDKHFSKWGG-STQMWFEESA-N 1 0 306.435 2.470 10 0 DEAERO Cc1nc2ccccc2n1CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604334 184176841 /nfs/dbraw/zinc/17/68/41/184176841.db2.gz CGIOTTRBZFXKPA-UHFFFAOYSA-N 1 0 312.417 2.041 10 0 DEAERO COCCOc1ccccc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604099 184177066 /nfs/dbraw/zinc/17/70/66/184177066.db2.gz OTXVWQSIKITCQI-UHFFFAOYSA-N 1 0 318.417 2.022 10 0 DEAERO CC[NH2+]Cc1cc(Br)ccc1O[C@H](CC)C(N)=O ZINC000061675717 184181699 /nfs/dbraw/zinc/18/16/99/184181699.db2.gz UCCJADRKXFANJW-LLVKDONJSA-N 1 0 315.211 2.201 10 0 DEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)CCCO1 ZINC000061916325 184195071 /nfs/dbraw/zinc/19/50/71/184195071.db2.gz YBNVONLEORGPKC-FZMZJTMJSA-N 1 0 300.349 2.399 10 0 DEAERO [NH3+]C[C@H](c1ccccc1OC(F)(F)F)N1CCCOCC1 ZINC000061916558 184195241 /nfs/dbraw/zinc/19/52/41/184195241.db2.gz WVDRJTNKZWCTDD-GFCCVEGCSA-N 1 0 304.312 2.307 10 0 DEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000158212438 197253124 /nfs/dbraw/zinc/25/31/24/197253124.db2.gz WCGCVQORYGFMFD-YUELXQCFSA-N 1 0 308.447 2.388 10 0 DEAERO [NH3+]CC[C@@H](c1ccccc1)N1CCN(CC(F)(F)F)CC1 ZINC000061940945 184197481 /nfs/dbraw/zinc/19/74/81/184197481.db2.gz QPSKVIGYQXRYER-AWEZNQCLSA-N 1 0 301.356 2.256 10 0 DEAERO CCC[NH2+][C@H]1CCC[C@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000061947638 184198122 /nfs/dbraw/zinc/19/81/22/184198122.db2.gz URAGABNBBWAPOK-KBPBESRZSA-N 1 0 307.404 2.335 10 0 DEAERO CC(C)[C@@H]1CC[C@@H](O)[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000061942849 184198226 /nfs/dbraw/zinc/19/82/26/184198226.db2.gz XGVXJRWOZPEOBN-MGPQQGTHSA-N 1 0 308.388 2.352 10 0 DEAERO C[N@@H+]1CC[C@H](Nc2cccc(I)c2)C1 ZINC000061984927 184200040 /nfs/dbraw/zinc/20/00/40/184200040.db2.gz LNTWWDUJSVIKKD-NSHDSACASA-N 1 0 302.159 2.407 10 0 DEAERO C[N@H+](CCNC(=O)c1cc(N)c(Cl)c(Cl)c1)C1CC1 ZINC000061992403 184200430 /nfs/dbraw/zinc/20/04/30/184200430.db2.gz WYTVJFUGNZFXQD-UHFFFAOYSA-N 1 0 302.205 2.400 10 0 DEAERO C[C@H](C(=O)N(C)[C@@H](C)c1ccccc1Cl)N1CC[NH2+]CC1 ZINC000062028180 184202279 /nfs/dbraw/zinc/20/22/79/184202279.db2.gz NVXFJIJOBXMQLB-QWHCGFSZSA-N 1 0 309.841 2.153 10 0 DEAERO CC(C)[NH2+][C@](C)(CCCCSC1CCOCC1)C(N)=O ZINC000062056559 184203334 /nfs/dbraw/zinc/20/33/34/184203334.db2.gz PONNYDJJNSDFIL-OAHLLOKOSA-N 1 0 302.484 2.311 10 0 DEAERO CNc1ncc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1Cl ZINC000062069713 184204291 /nfs/dbraw/zinc/20/42/91/184204291.db2.gz CQZVAEYRMOFHOK-NSHDSACASA-N 1 0 310.829 2.238 10 0 DEAERO COC(=O)CC[C@@H]([NH3+])Cc1ccc(Br)cc1F ZINC000061893241 184192855 /nfs/dbraw/zinc/19/28/55/184192855.db2.gz HHCBCLSAKJZLTJ-SNVBAGLBSA-N 1 0 304.159 2.411 10 0 DEAERO C[C@@H]1NC(=S)N(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1=O ZINC000062427276 184235624 /nfs/dbraw/zinc/23/56/24/184235624.db2.gz MFFDYRUZQZYPEZ-ZFWWWQNUSA-N 1 0 317.458 2.146 10 0 DEAERO CCC[NH2+]C[C@@H](Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000062337381 184231176 /nfs/dbraw/zinc/23/11/76/184231176.db2.gz KVXCPWGFCCGKHB-QWHCGFSZSA-N 1 0 316.492 2.045 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OC ZINC000062731112 184251122 /nfs/dbraw/zinc/25/11/22/184251122.db2.gz JOANPGITRPWTHX-JTQLQIEISA-N 1 0 301.770 2.016 10 0 DEAERO COCC[NH2+]Cc1cccc(Br)c1OCCOC ZINC000062733717 184251354 /nfs/dbraw/zinc/25/13/54/184251354.db2.gz KURUBBSOEVADHQ-UHFFFAOYSA-N 1 0 318.211 2.210 10 0 DEAERO CC[C@]1(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCC[NH2+]C1 ZINC000062855890 184256475 /nfs/dbraw/zinc/25/64/75/184256475.db2.gz GKOXXZPJPBPDDK-HNNXBMFYSA-N 1 0 309.797 2.157 10 0 DEAERO CCOC(=O)COc1ccc(C[NH2+]C)cc1Br ZINC000062700881 184247664 /nfs/dbraw/zinc/24/76/64/184247664.db2.gz KQJFFYFSQPSWKY-UHFFFAOYSA-N 1 0 302.168 2.110 10 0 DEAERO C[NH2+]Cc1ccc(O[C@@H]2CCC[C@@H]2O)c(Br)c1 ZINC000062700833 184247846 /nfs/dbraw/zinc/24/78/46/184247846.db2.gz QALHRGDOBHRYIF-WCQYABFASA-N 1 0 300.196 2.461 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1ccc(Br)o1 ZINC000063211815 184278486 /nfs/dbraw/zinc/27/84/86/184278486.db2.gz YQOMYVMGCGDCBR-IUCAKERBSA-N 1 0 301.184 2.432 10 0 DEAERO CN(C)S(=O)(=O)c1ccc(N[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000063214776 184278963 /nfs/dbraw/zinc/27/89/63/184278963.db2.gz WIEKOVDVHFLKOT-CABCVRRESA-N 1 0 311.451 2.009 10 0 DEAERO CCNS(=O)(=O)c1ccccc1N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063214796 184279010 /nfs/dbraw/zinc/27/90/10/184279010.db2.gz WCUVYERTGPDLAH-OLZOCXBDSA-N 1 0 311.451 2.057 10 0 DEAERO C[NH+](C)[C@H]1CCN(CC(=O)c2ccc(Br)cc2)C1 ZINC000062966537 184262775 /nfs/dbraw/zinc/26/27/75/184262775.db2.gz ZYBPCTBFWCMCKJ-ZDUSSCGKSA-N 1 0 311.223 2.268 10 0 DEAERO Cc1sc2nc(CN3CC[C@H]([NH+](C)C)C3)nc(N)c2c1C ZINC000062969287 184263346 /nfs/dbraw/zinc/26/33/46/184263346.db2.gz ZELVADUCBKLNNP-NSHDSACASA-N 1 0 305.451 2.026 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(c2nc(Cl)nc(OC(C)C)n2)C1 ZINC000062983326 184264460 /nfs/dbraw/zinc/26/44/60/184264460.db2.gz RXOYBVHXJWOHJR-NSHDSACASA-N 1 0 313.833 2.233 10 0 DEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)Cc1c(F)cccc1Cl ZINC000063017386 184267061 /nfs/dbraw/zinc/26/70/61/184267061.db2.gz OKCNLNGZNFJMMY-JTQLQIEISA-N 1 0 307.818 2.434 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1cc(Br)cn1C ZINC000063167492 184275606 /nfs/dbraw/zinc/27/56/06/184275606.db2.gz OMQXKJWUPITWDN-LLVKDONJSA-N 1 0 314.227 2.002 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(s1)CN(C1CC1)C2 ZINC000065238843 184317222 /nfs/dbraw/zinc/31/72/22/184317222.db2.gz IMBABAIXUPGHJC-CQSZACIVSA-N 1 0 319.474 2.440 10 0 DEAERO O=c1cc(-c2ccccc2)nc2n1CCN2CCC[NH+]1CCCC1 ZINC000065288418 184323202 /nfs/dbraw/zinc/32/32/02/184323202.db2.gz AGIUCRVBSUSQPR-UHFFFAOYSA-N 1 0 324.428 2.216 10 0 DEAERO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCNC(=O)CC1 ZINC000065954473 184383988 /nfs/dbraw/zinc/38/39/88/184383988.db2.gz XKJXYQNXBPQMPQ-JTQLQIEISA-N 1 0 302.296 2.468 10 0 DEAERO CC[NH2+]CC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000066225776 184397710 /nfs/dbraw/zinc/39/77/10/184397710.db2.gz KLUSTHZKQMHFQD-UHFFFAOYSA-N 1 0 311.385 2.165 10 0 DEAERO c1cnn(-c2cccc(C[NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)c2)c1 ZINC000536403270 284944678 /nfs/dbraw/zinc/94/46/78/284944678.db2.gz UMEAAGWDDDVNKM-AEFFLSMTSA-N 1 0 313.401 2.300 10 0 DEAERO CNc1snc(C)c1C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000185427168 207365476 /nfs/dbraw/zinc/36/54/76/207365476.db2.gz PEPBJOZSFBRHKS-LLVKDONJSA-N 1 0 310.467 2.488 10 0 DEAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)n1c(=O)[nH]c2ccccc2c1=O ZINC000067256703 184457330 /nfs/dbraw/zinc/45/73/30/184457330.db2.gz PAGFLUQEEUPRRO-HZSPNIEDSA-N 1 0 315.417 2.229 10 0 DEAERO CCC[NH2+][C@H](C)c1cccc(S(=O)(=O)NCCSC)c1 ZINC000069456547 184516524 /nfs/dbraw/zinc/51/65/24/184516524.db2.gz BMCUPPIIPHHUJN-GFCCVEGCSA-N 1 0 316.492 2.389 10 0 DEAERO O=C1[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)CCN1C1CCOCC1 ZINC000358209464 285005230 /nfs/dbraw/zinc/00/52/30/285005230.db2.gz XGFOYFZNYCEOKC-DLBZAZTESA-N 1 0 318.392 2.183 10 0 DEAERO CC[NH2+]CCNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000151416902 196676773 /nfs/dbraw/zinc/67/67/73/196676773.db2.gz UPRCKOLNHGEHGK-STQMWFEESA-N 1 0 311.223 2.278 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cnn(C)c1-c1ccccc1 ZINC000538317707 285032069 /nfs/dbraw/zinc/03/20/69/285032069.db2.gz UTEZQIZUPPCUCF-UHFFFAOYSA-N 1 0 300.406 2.111 10 0 DEAERO CC[C@@H]1CN(C(=O)c2cc(C)c(F)c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000119661224 195012458 /nfs/dbraw/zinc/01/24/58/195012458.db2.gz KCFKTRABKGSHOW-GDBMZVCRSA-N 1 0 322.424 2.360 10 0 DEAERO COc1cc(OC)cc([C@H]2CCN(C(=O)[C@H]3CCC[NH2+]C3)C2)c1 ZINC000119792906 195037704 /nfs/dbraw/zinc/03/77/04/195037704.db2.gz CZMGRAQSGUTQPD-KBPBESRZSA-N 1 0 318.417 2.019 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CCN1C ZINC000119925584 195063539 /nfs/dbraw/zinc/06/35/39/195063539.db2.gz VJOKCVRAONPSSX-MGPQQGTHSA-N 1 0 308.857 2.386 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+]CCc2nc(C)no2)c2ccccc2C1 ZINC000538713746 285052218 /nfs/dbraw/zinc/05/22/18/285052218.db2.gz IIFRKXAJBWERPP-MRXNPFEDSA-N 1 0 314.389 2.004 10 0 DEAERO O=C(C1CC[NH+](CC[C@@H]2CCOC2=O)CC1)N1CCCCCC1 ZINC000120055577 195088830 /nfs/dbraw/zinc/08/88/30/195088830.db2.gz GQOYNQKTWBUXJR-MRXNPFEDSA-N 1 0 322.449 2.054 10 0 DEAERO CCC[C@H](C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1)[NH+](C)C ZINC000120063887 195090088 /nfs/dbraw/zinc/09/00/88/195090088.db2.gz AQWXWNZBMSFUIF-IUODEOHRSA-N 1 0 321.421 2.329 10 0 DEAERO CCc1c(C(=O)N(C)CCC[NH+](C)C)cnn1-c1ccccc1 ZINC000539418713 285076736 /nfs/dbraw/zinc/07/67/36/285076736.db2.gz KAGHKRYNMKTPTR-UHFFFAOYSA-N 1 0 314.433 2.458 10 0 DEAERO C[NH2+][C@@H](Cc1nc(C)cs1)c1c(Br)cnn1C ZINC000159287895 197343145 /nfs/dbraw/zinc/34/31/45/197343145.db2.gz FVBMQOARUHFIEA-VIFPVBQESA-N 1 0 315.240 2.451 10 0 DEAERO CC[NH2+][C@@H](CSC)c1c(Br)cnn1CCOC ZINC000159276962 197342315 /nfs/dbraw/zinc/34/23/15/197342315.db2.gz YQDICOXCWHVZLP-JTQLQIEISA-N 1 0 322.272 2.306 10 0 DEAERO C[S@@](=O)CCCn1c(N)[nH+]c2cc(Br)ccc21 ZINC000159275729 197342234 /nfs/dbraw/zinc/34/22/34/197342234.db2.gz CJUGSBRDXNSUKL-KRWDZBQOSA-N 1 0 316.224 2.150 10 0 DEAERO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC000120200706 195118296 /nfs/dbraw/zinc/11/82/96/195118296.db2.gz RQMUUILCJQCTAQ-MRXNPFEDSA-N 1 0 302.418 2.325 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000159092786 197326928 /nfs/dbraw/zinc/32/69/28/197326928.db2.gz YAPGYVXHMKOYGO-LLVKDONJSA-N 1 0 300.786 2.349 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)NC2CCCC2)cc(C)c1F ZINC000159085640 197325379 /nfs/dbraw/zinc/32/53/79/197325379.db2.gz ZUMNCGSVVDLXOP-UHFFFAOYSA-N 1 0 314.426 2.465 10 0 DEAERO CC[C@@H](C)CN(C)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159067979 197323899 /nfs/dbraw/zinc/32/38/99/197323899.db2.gz RZCDXPWGWLSPTD-SNVBAGLBSA-N 1 0 302.415 2.259 10 0 DEAERO CC(C)(NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(N)=[NH2+] ZINC000159033745 197320709 /nfs/dbraw/zinc/32/07/09/197320709.db2.gz IRUPEYBKFSTBCM-UHFFFAOYSA-N 1 0 304.272 2.421 10 0 DEAERO COC(C)(C)C[NH2+]Cc1ccc(I)o1 ZINC000158953253 197313963 /nfs/dbraw/zinc/31/39/63/197313963.db2.gz YEIMRDMNTJMJBC-UHFFFAOYSA-N 1 0 309.147 2.399 10 0 DEAERO CCc1ccc(NC(=O)N(CCOC)CC[NH+](C)C)cc1F ZINC000158896653 197309443 /nfs/dbraw/zinc/30/94/43/197309443.db2.gz QXGCZMSMEKMXEF-UHFFFAOYSA-N 1 0 311.401 2.430 10 0 DEAERO CC[NH2+]Cc1ccccc1S(=O)(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000158767114 197299951 /nfs/dbraw/zinc/29/99/51/197299951.db2.gz ZKUQYBIMTCPBLV-HUUCEWRRSA-N 1 0 308.447 2.217 10 0 DEAERO COc1cnn(CC[NH+](C)C)c1[C@@H](O)c1cc(C)c(C)s1 ZINC000158754140 197298721 /nfs/dbraw/zinc/29/87/21/197298721.db2.gz XEMORUDEGCXKFC-HNNXBMFYSA-N 1 0 309.435 2.213 10 0 DEAERO C[C@H](CCn1cccn1)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000158721780 197297515 /nfs/dbraw/zinc/29/75/15/197297515.db2.gz BESAJWWMCZPXBN-ZIAGYGMSSA-N 1 0 321.446 2.416 10 0 DEAERO CC1(C)C[NH2+]C[C@@H](COc2nc(Br)cs2)O1 ZINC000158631325 197290014 /nfs/dbraw/zinc/29/00/14/197290014.db2.gz VRDRZHWPMXZBDE-ZETCQYMHSA-N 1 0 307.213 2.051 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(Cc3cnn(-c4ccccc4)n3)CC[C@@H]21 ZINC000158641597 197290392 /nfs/dbraw/zinc/29/03/92/197290392.db2.gz SGFNAQZOKAWWDR-YJBOKZPZSA-N 1 0 311.433 2.183 10 0 DEAERO COc1cc(F)cc2sc(NC(=O)[C@@H]3CCC[NH2+]C3)nc21 ZINC000158623888 197288711 /nfs/dbraw/zinc/28/87/11/197288711.db2.gz CIFFMBUXASUHMF-MRVPVSSYSA-N 1 0 309.366 2.382 10 0 DEAERO C[C@@H]1C[C@@H](Nc2nc3c(Br)cccn3n2)CC[N@@H+]1C ZINC000158439187 197272463 /nfs/dbraw/zinc/27/24/63/197272463.db2.gz BZIBQFXSHZBHIF-ZJUUUORDSA-N 1 0 324.226 2.386 10 0 DEAERO C[C@H]1C[C@@H](Nc2nc3c(Br)cccn3n2)CC[N@@H+]1C ZINC000158439316 197271770 /nfs/dbraw/zinc/27/17/70/197271770.db2.gz BZIBQFXSHZBHIF-UWVGGRQHSA-N 1 0 324.226 2.386 10 0 DEAERO Cc1ncsc1CCOC[C@H](O)C[NH2+][C@@H](C)C(C)(C)C ZINC000158316895 197261708 /nfs/dbraw/zinc/26/17/08/197261708.db2.gz HKOJRVXWXCGGEP-QWHCGFSZSA-N 1 0 300.468 2.396 10 0 DEAERO C[C@@H]1OCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000158154197 197248637 /nfs/dbraw/zinc/24/86/37/197248637.db2.gz GSSBVZKFORNIDJ-HZMBPMFUSA-N 1 0 311.813 2.360 10 0 DEAERO C[C@H]1OCC[C@H]1[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1N ZINC000158153198 197248691 /nfs/dbraw/zinc/24/86/91/197248691.db2.gz HLOPEEOSHWFQRO-QMTHXVAHSA-N 1 0 311.813 2.360 10 0 DEAERO COc1ccc(C(N)=S)c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000158028587 197237516 /nfs/dbraw/zinc/23/75/16/197237516.db2.gz JGPAFWOARKVRQW-NWDGAFQWSA-N 1 0 305.447 2.368 10 0 DEAERO O=[S@@](Cc1cccc(F)c1Br)CC1C[NH2+]C1 ZINC000158003657 197235054 /nfs/dbraw/zinc/23/50/54/197235054.db2.gz SOFSGBOLYASCIK-INIZCTEOSA-N 1 0 306.200 2.056 10 0 DEAERO CC[C@@H]([NH3+])CS(=O)(=O)Cc1cccc(F)c1Br ZINC000157998419 197233944 /nfs/dbraw/zinc/23/39/44/197233944.db2.gz YWHVUJLUOGEITF-SECBINFHSA-N 1 0 324.215 2.240 10 0 DEAERO CC[C@H]([NH3+])CNS(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000157600348 197200894 /nfs/dbraw/zinc/20/08/94/197200894.db2.gz AFWGACXWJTYBIS-VIFPVBQESA-N 1 0 310.341 2.029 10 0 DEAERO CCOC(=O)[C@](C)(CCCC[N@H+](C)CCOC(C)C)NC ZINC000157499104 197191813 /nfs/dbraw/zinc/19/18/13/197191813.db2.gz XAZSMUVQYASELH-INIZCTEOSA-N 1 0 302.459 2.055 10 0 DEAERO CCC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]([N@H+](C)CCOC(C)C)C1 ZINC000157526298 197194520 /nfs/dbraw/zinc/19/45/20/197194520.db2.gz LKLDYGSEKOJHAH-GDBMZVCRSA-N 1 0 300.443 2.109 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000157431717 197187543 /nfs/dbraw/zinc/18/75/43/197187543.db2.gz FJGHGMPSIVHLKU-CRAIPNDOSA-N 1 0 323.481 2.196 10 0 DEAERO CCCNc1nnc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)s1 ZINC000157334929 197179962 /nfs/dbraw/zinc/17/99/62/197179962.db2.gz YDHAGGRXOAJASB-NSHDSACASA-N 1 0 313.471 2.066 10 0 DEAERO CCC[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N(C)CC(F)F ZINC000157161713 197166308 /nfs/dbraw/zinc/16/63/08/197166308.db2.gz ZJOALJLJQGBZOM-UHFFFAOYSA-N 1 0 324.393 2.282 10 0 DEAERO COCC[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000157250404 197173750 /nfs/dbraw/zinc/17/37/50/197173750.db2.gz QMSILDGYPXXPPY-RRFJBIMHSA-N 1 0 307.438 2.210 10 0 DEAERO C[C@@](O)(C[NH2+]C1CC1)COc1cc(F)cc(Br)c1 ZINC000157229702 197171882 /nfs/dbraw/zinc/17/18/82/197171882.db2.gz WXAHIFDETWLCLZ-CYBMUJFWSA-N 1 0 318.186 2.470 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccsc3)CC2)CCO1 ZINC000157215246 197170648 /nfs/dbraw/zinc/17/06/48/197170648.db2.gz ZVBAOQCORRVROY-LBPRGKRZSA-N 1 0 309.435 2.465 10 0 DEAERO C[N@@H+]1CCCC12CCN(C(=O)c1cccc3nccnc31)CC2 ZINC000541708431 285180646 /nfs/dbraw/zinc/18/06/46/285180646.db2.gz KVCZHIKCBORECQ-UHFFFAOYSA-N 1 0 310.401 2.330 10 0 DEAERO CSc1nsc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000157077812 197159713 /nfs/dbraw/zinc/15/97/13/197159713.db2.gz ORFIRFDLPIEFLO-BDAKNGLRSA-N 1 0 315.468 2.206 10 0 DEAERO Cc1cc(OC[C@@H](O)C[NH2+]C(C)C)ccc1Br ZINC000157055794 197158498 /nfs/dbraw/zinc/15/84/98/197158498.db2.gz FLMKQYYKSONBAI-NSHDSACASA-N 1 0 302.212 2.495 10 0 DEAERO CSC(C)(C)CNS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000156873612 197146552 /nfs/dbraw/zinc/14/65/52/197146552.db2.gz UVFXZGUYNPPEDG-JTQLQIEISA-N 1 0 302.465 2.126 10 0 DEAERO CC[NH2+]CC1(C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]2C[C@H]2C1 ZINC000156727161 197136463 /nfs/dbraw/zinc/13/64/63/197136463.db2.gz IFXDXUQTNBLADT-LSVZVQIISA-N 1 0 314.495 2.074 10 0 DEAERO COCCN[C@@]1(c2nc(C)c(C)s2)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156691201 197134080 /nfs/dbraw/zinc/13/40/80/197134080.db2.gz AMRMVMICDVXRDM-ZBFHGGJFSA-N 1 0 309.479 2.449 10 0 DEAERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000156793400 197141459 /nfs/dbraw/zinc/14/14/59/197141459.db2.gz JTEVDLADIAMPNT-ZDUSSCGKSA-N 1 0 320.405 2.493 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000156675005 197132560 /nfs/dbraw/zinc/13/25/60/197132560.db2.gz HBAGSMXWKVMCNO-QGZVFWFLSA-N 1 0 318.465 2.385 10 0 DEAERO Cc1csc(NC(=O)C[NH2+][C@@H]2CCCC23CCOCC3)n1 ZINC000558628981 291897039 /nfs/dbraw/zinc/89/70/39/291897039.db2.gz DSNKOBWAFLFOHF-GFCCVEGCSA-N 1 0 309.435 2.329 10 0 DEAERO O[C@@H](C[NH+]1CCC(n2cncn2)CC1)c1ccccc1Cl ZINC000156555620 197122569 /nfs/dbraw/zinc/12/25/69/197122569.db2.gz AFTNDFVQOMTIOG-HNNXBMFYSA-N 1 0 306.797 2.302 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH3+])c1ccnc(C)n1 ZINC000156502295 197117967 /nfs/dbraw/zinc/11/79/67/197117967.db2.gz VLPVRVYPTDNROJ-JTQLQIEISA-N 1 0 324.226 2.315 10 0 DEAERO CCC[NH2+][C@H](C[C@@H]1CCOC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000156456686 197115523 /nfs/dbraw/zinc/11/55/23/197115523.db2.gz UERCODDNSUYCFJ-XUWVNRHRSA-N 1 0 317.495 2.385 10 0 DEAERO CC(C)Cc1ccc([C@@H](C)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000156107558 197087039 /nfs/dbraw/zinc/08/70/39/197087039.db2.gz MJOIYSDXRUCCIA-DNVCBOLYSA-N 1 0 320.477 2.417 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1C[NH3+])[S@](=O)c1cccs1 ZINC000155971064 197078436 /nfs/dbraw/zinc/07/84/36/197078436.db2.gz WWWZUHBMIRATLO-WVDJIFEKSA-N 1 0 308.428 2.342 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[S@](=O)c1cccs1 ZINC000155970630 197078116 /nfs/dbraw/zinc/07/81/16/197078116.db2.gz DJOVQBNJWNYJCZ-WVDJIFEKSA-N 1 0 308.428 2.342 10 0 DEAERO Cc1cccc([C@@H]2CC[N@H+](C[C@@H](O)COC[C@@H]3CCCO3)C2)c1 ZINC000542321917 285218001 /nfs/dbraw/zinc/21/80/01/285218001.db2.gz QGUVOYDXYNUDHC-QRVBRYPASA-N 1 0 319.445 2.341 10 0 DEAERO Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)C2 ZINC000155427548 197054313 /nfs/dbraw/zinc/05/43/13/197054313.db2.gz DGQGPIYRKMNENP-ZVZYQTTQSA-N 1 0 316.445 2.452 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)C1 ZINC000246153829 285230204 /nfs/dbraw/zinc/23/02/04/285230204.db2.gz TVXANLIUNJKRRC-CABCVRRESA-N 1 0 319.453 2.357 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCc2ccc(Cl)nc2)C1 ZINC000120826103 195245306 /nfs/dbraw/zinc/24/53/06/195245306.db2.gz ADVUMVCAYGPTDM-OCCSQVGLSA-N 1 0 324.856 2.305 10 0 DEAERO Cc1nnc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)s1 ZINC000543743399 285313892 /nfs/dbraw/zinc/31/38/92/285313892.db2.gz FXCLPVICQYKGJB-UHFFFAOYSA-N 1 0 316.430 2.372 10 0 DEAERO CC[N@@H+]1CCO[C@H]2CN(Cc3ccc4ccccc4n3)C[C@H]2C1 ZINC000249703362 257107071 /nfs/dbraw/zinc/10/70/71/257107071.db2.gz ZMNRIPSMZSNEHK-APWZRJJASA-N 1 0 311.429 2.387 10 0 DEAERO Cc1n[nH]c(C[C@@H]2OC[C@@H]3C[N@H+](Cc4cccs4)CC[C@@H]32)n1 ZINC000248040218 257111872 /nfs/dbraw/zinc/11/18/72/257111872.db2.gz OQRMGSSOJOGTFJ-QEJZJMRPSA-N 1 0 318.446 2.254 10 0 DEAERO Cc1nc([C@@H]2C[C@H]3CC[N@H+](Cc4scnc4C)C[C@@H]3O2)no1 ZINC000248013941 257111909 /nfs/dbraw/zinc/11/19/09/257111909.db2.gz GVZFWEKYJVRGIX-AGIUHOORSA-N 1 0 320.418 2.495 10 0 DEAERO c1ccc(CC[N@@H+]2C[C@@H]3OC[C@@H](CNc4ncccn4)[C@@H]3C2)cc1 ZINC000248017993 257111940 /nfs/dbraw/zinc/11/19/40/257111940.db2.gz DLSPIHXDBRVWPQ-SQNIBIBYSA-N 1 0 324.428 2.078 10 0 DEAERO COC[C@@H]1C[N@H+](C)C[C@]12CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000247965630 257113487 /nfs/dbraw/zinc/11/34/87/257113487.db2.gz HWZFYHDKXVVUHG-YOEHRIQHSA-N 1 0 322.836 2.380 10 0 DEAERO O=C(c1ccsc1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCOCC1 ZINC000247874668 257114984 /nfs/dbraw/zinc/11/49/84/257114984.db2.gz SPDTUNUYWYYIAH-CVEARBPZSA-N 1 0 320.458 2.464 10 0 DEAERO O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC000247296582 257120025 /nfs/dbraw/zinc/12/00/25/257120025.db2.gz CPDHBGOWOVJXSR-CVEARBPZSA-N 1 0 324.421 2.073 10 0 DEAERO c1csc(CN2CC[C@@H]3CO[C@@H](C[NH+]4CCCC4)[C@@H]3C2)n1 ZINC000253596893 257105104 /nfs/dbraw/zinc/10/51/04/257105104.db2.gz XOCSTEMIRIMBGK-KFWWJZLASA-N 1 0 307.463 2.076 10 0 DEAERO c1cnn(CCCO[C@@H]2C[N@H+](C3CCC3)[C@H]3CCCO[C@@H]23)c1 ZINC000253596620 257105404 /nfs/dbraw/zinc/10/54/04/257105404.db2.gz UFIWLFKFPFLLFN-GVDBMIGSSA-N 1 0 305.422 2.074 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(-c2ccncc2)on1 ZINC000120964531 195273633 /nfs/dbraw/zinc/27/36/33/195273633.db2.gz UPDGNIXFQGUBEY-AWEZNQCLSA-N 1 0 316.405 2.443 10 0 DEAERO COCC[C@@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(C)o1 ZINC000544669768 285366513 /nfs/dbraw/zinc/36/65/13/285366513.db2.gz MAMIPDBGDFHZJE-CQSZACIVSA-N 1 0 311.426 2.259 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)N1C(=O)C2(CC2)N[C@H]1c1cccs1 ZINC000121955100 195380769 /nfs/dbraw/zinc/38/07/69/195380769.db2.gz BRECEUSTWUKIRJ-GXTWGEPZSA-N 1 0 305.447 2.195 10 0 DEAERO CN(C)c1ccc(Br)cc1NC(=O)C1(C[NH3+])CC1 ZINC000122007896 195389837 /nfs/dbraw/zinc/38/98/37/195389837.db2.gz QFVVMPSQTLTNQR-UHFFFAOYSA-N 1 0 312.211 2.193 10 0 DEAERO C[NH2+][C@@H](Cc1cccc(F)c1Br)[C@@H]1COCCO1 ZINC000122563023 195469319 /nfs/dbraw/zinc/46/93/19/195469319.db2.gz CNZBFTKAASXOOQ-RYUDHWBXSA-N 1 0 318.186 2.134 10 0 DEAERO c1cc(-c2noc(CN3CCCC[C@@H]3[C@H]3CCC[NH2+]3)n2)co1 ZINC000561279146 291958596 /nfs/dbraw/zinc/95/85/96/291958596.db2.gz KQUWVJWHSSUHRI-ZIAGYGMSSA-N 1 0 302.378 2.436 10 0 DEAERO Cc1nc(Br)cc(OC[C@H]2CCCC[N@H+]2C)n1 ZINC000123071293 195539561 /nfs/dbraw/zinc/53/95/61/195539561.db2.gz MOCODOGTDYSLHI-SNVBAGLBSA-N 1 0 300.200 2.411 10 0 DEAERO FC(F)(F)[C@@H]1CCc2nnc(CCC3CC[NH2+]CC3)n2C1 ZINC000123129749 195547316 /nfs/dbraw/zinc/54/73/16/195547316.db2.gz KYGCMMHPESFPMW-LLVKDONJSA-N 1 0 302.344 2.335 10 0 DEAERO CCCCN(CCO)c1cc(Br)ccc1C(N)=[NH2+] ZINC000124200083 195615980 /nfs/dbraw/zinc/61/59/80/195615980.db2.gz OSEGWDUZVMJMID-UHFFFAOYSA-N 1 0 314.227 2.332 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(c2cc(Br)nc(C)n2)C1 ZINC000124394812 195637515 /nfs/dbraw/zinc/63/75/15/195637515.db2.gz GDSSJKFNAIVIMT-NSHDSACASA-N 1 0 313.243 2.468 10 0 DEAERO Fc1cccc(Cl)c1CC[NH2+]CCCN1CCOCC1 ZINC000124400788 195638275 /nfs/dbraw/zinc/63/82/75/195638275.db2.gz VZFPBLICARSPAI-UHFFFAOYSA-N 1 0 300.805 2.334 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1OC ZINC000125754714 195782379 /nfs/dbraw/zinc/78/23/79/195782379.db2.gz NGIUHTDSFQSFAT-SUMWQHHRSA-N 1 0 309.406 2.144 10 0 DEAERO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(I)o1 ZINC000128139680 195938946 /nfs/dbraw/zinc/93/89/46/195938946.db2.gz KCJYVRNICMPHMX-SSDOTTSWSA-N 1 0 309.147 2.133 10 0 DEAERO CCc1cnccc1CNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545150591 285392026 /nfs/dbraw/zinc/39/20/26/285392026.db2.gz JJIPJZRHHYHTIY-UHFFFAOYSA-N 1 0 302.422 2.095 10 0 DEAERO C([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)C1(CN2CCOCC2)CCCCC1 ZINC000253233023 533372102 /nfs/dbraw/zinc/37/21/02/533372102.db2.gz LPAVMJWJDIKSOE-KSZLIROESA-N 1 0 322.493 2.426 10 0 DEAERO CC1(C)[C@H]([NH2+]CCNC(=O)c2ccccc2)[C@@H]2CCCO[C@H]21 ZINC000245900180 132573138 /nfs/dbraw/zinc/57/31/38/132573138.db2.gz NSWHWHHAANLMOC-ARFHVFGLSA-N 1 0 302.418 2.210 10 0 DEAERO COC(=O)c1cccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000358174729 133125966 /nfs/dbraw/zinc/12/59/66/133125966.db2.gz YWWBBTPRGQUQFL-UHFFFAOYSA-N 1 0 317.389 2.247 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(C)CCC2CCOCC2)CC1 ZINC000358179577 133126040 /nfs/dbraw/zinc/12/60/40/133126040.db2.gz AHFPAYAEAOLJSS-UHFFFAOYSA-N 1 0 309.454 2.097 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccccc1F ZINC000358192779 133127117 /nfs/dbraw/zinc/12/71/17/133127117.db2.gz QFBYCQWBGROLLA-MLGOLLRUSA-N 1 0 306.381 2.256 10 0 DEAERO COCC[C@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccco1 ZINC000358192706 133127373 /nfs/dbraw/zinc/12/73/73/133127373.db2.gz IYFSYBKTBGXHFE-HNNXBMFYSA-N 1 0 321.421 2.308 10 0 DEAERO CC1=CCN(CC[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000358214017 133129045 /nfs/dbraw/zinc/12/90/45/133129045.db2.gz AKWLGUPHIDCZGJ-UHFFFAOYSA-N 1 0 306.479 2.354 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000359599614 133133337 /nfs/dbraw/zinc/13/33/37/133133337.db2.gz QBTDXNBVMNKANS-QGZVFWFLSA-N 1 0 302.418 2.064 10 0 DEAERO O=C(NC[C@@H](CO)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000359778411 133144109 /nfs/dbraw/zinc/14/41/09/133144109.db2.gz ODIVJAWIYUIKTD-SFHVURJKSA-N 1 0 316.445 2.033 10 0 DEAERO COC(=O)c1ccc(-c2nc(CN3C[C@H](O)C[C@@H]3C)co2)cc1 ZINC000360212375 133169040 /nfs/dbraw/zinc/16/90/40/133169040.db2.gz JFGOVIOFCWMRDE-XHDPSFHLSA-N 1 0 316.357 2.083 10 0 DEAERO C[NH+]1CCC(CC(=O)NCc2nnc(C(C)(C)C)s2)CC1 ZINC000362895143 133257647 /nfs/dbraw/zinc/25/76/47/133257647.db2.gz JGZMIFLWYVDBFV-UHFFFAOYSA-N 1 0 310.467 2.184 10 0 DEAERO Cc1cc(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)on1 ZINC000368609413 133280967 /nfs/dbraw/zinc/28/09/67/133280967.db2.gz YDFAZZPXFVMONH-KDOFPFPSSA-N 1 0 314.433 2.421 10 0 DEAERO COC(=O)CC1(CC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000372682744 133362237 /nfs/dbraw/zinc/36/22/37/133362237.db2.gz DPNRZRIZZWLZKM-GJZGRUSLSA-N 1 0 322.449 2.243 10 0 DEAERO NC(=O)c1ccc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000061846910 134803955 /nfs/dbraw/zinc/80/39/55/134803955.db2.gz DCOBKGHCSNJKCL-ABAIWWIYSA-N 1 0 307.825 2.407 10 0 DEAERO CCOc1ccccc1CCC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000113458556 144634657 /nfs/dbraw/zinc/63/46/57/144634657.db2.gz MAHDQIQPQKCDAA-OAHLLOKOSA-N 1 0 304.434 2.428 10 0 DEAERO Cc1noc(C)c1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174343046 144854570 /nfs/dbraw/zinc/85/45/70/144854570.db2.gz IKZLVIZSMLFXAY-CABCVRRESA-N 1 0 320.437 2.448 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000178361369 144857627 /nfs/dbraw/zinc/85/76/27/144857627.db2.gz VJTBXVXZYHWVQB-HOTGVXAUSA-N 1 0 300.402 2.235 10 0 DEAERO Cc1noc(CSc2ccccc2C(=O)NCC[C@H](C)[NH3+])n1 ZINC000178651614 144862842 /nfs/dbraw/zinc/86/28/42/144862842.db2.gz AZJPKFAPLHXUOI-JTQLQIEISA-N 1 0 320.418 2.137 10 0 DEAERO COc1ccc(OC)c(CCC(=O)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000178802265 144865603 /nfs/dbraw/zinc/86/56/03/144865603.db2.gz HLZIKEXRZVFQBJ-CYBMUJFWSA-N 1 0 320.433 2.222 10 0 DEAERO C[C@@H]([NH3+])C1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000178865964 144867017 /nfs/dbraw/zinc/86/70/17/144867017.db2.gz ZIBUSUZPKXFDKY-LLVKDONJSA-N 1 0 316.380 2.415 10 0 DEAERO C[NH2+]C1CCN(C(=O)COc2ccc(F)cc2Cl)CC1 ZINC000179132708 144871339 /nfs/dbraw/zinc/87/13/39/144871339.db2.gz ZWQIDKSBQLEBGT-UHFFFAOYSA-N 1 0 300.761 2.068 10 0 DEAERO COCc1ccsc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182092649 144913228 /nfs/dbraw/zinc/91/32/28/144913228.db2.gz AUXFBUIBKDLYFC-ZDUSSCGKSA-N 1 0 308.447 2.452 10 0 DEAERO Cc1cnccc1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000188264767 145009232 /nfs/dbraw/zinc/00/92/32/145009232.db2.gz UIMJKOYZPLUNDC-UHFFFAOYSA-N 1 0 316.449 2.407 10 0 DEAERO O=C(c1cn2ccnc2s1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000188534376 145013389 /nfs/dbraw/zinc/01/33/89/145013389.db2.gz ZTWSNFJYOGYDFP-ZDUSSCGKSA-N 1 0 318.446 2.486 10 0 DEAERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cn2ccnc2s1 ZINC000188571837 145013817 /nfs/dbraw/zinc/01/38/17/145013817.db2.gz BBYLQRCNZSYNED-GFCCVEGCSA-N 1 0 306.435 2.342 10 0 DEAERO O=C(c1cccc(Oc2cnccn2)c1)N1CC[NH+]2CCC1CC2 ZINC000188650387 145015227 /nfs/dbraw/zinc/01/52/27/145015227.db2.gz NOTSQOUXIYSLLL-UHFFFAOYSA-N 1 0 324.384 2.189 10 0 DEAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc(-n2cccn2)cc1 ZINC000188720399 145016372 /nfs/dbraw/zinc/01/63/72/145016372.db2.gz NXUSOJSAVPCUDB-UHFFFAOYSA-N 1 0 318.380 2.406 10 0 DEAERO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc[nH]1 ZINC000189002460 145020518 /nfs/dbraw/zinc/02/05/18/145020518.db2.gz QJWQJKKDRHOPOH-ABAIWWIYSA-N 1 0 305.328 2.168 10 0 DEAERO O=C(CC(F)(F)F)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189013179 145021071 /nfs/dbraw/zinc/02/10/71/145021071.db2.gz YPOYDKYFQRCQCR-SKDRFNHKSA-N 1 0 322.277 2.479 10 0 DEAERO FC(F)COCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000189276744 145024911 /nfs/dbraw/zinc/02/49/11/145024911.db2.gz XWSSIMIUCUXGEJ-UHFFFAOYSA-N 1 0 310.348 2.190 10 0 DEAERO O=C(c1n[nH]c2c1CCCCC2)N1CCC([NH+]2CCCC2)CC1 ZINC000190345520 145041194 /nfs/dbraw/zinc/04/11/94/145041194.db2.gz YBYWOQCQUAQUOZ-UHFFFAOYSA-N 1 0 316.449 2.379 10 0 DEAERO CSCC[N@@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190498249 145043461 /nfs/dbraw/zinc/04/34/61/145043461.db2.gz HFQFXXTUPOMCLR-CQSZACIVSA-N 1 0 316.511 2.477 10 0 DEAERO CCc1nnc(C2CC[NH+](C[C@H](O)C3CCCCC3)CC2)[nH]1 ZINC000190659334 145045594 /nfs/dbraw/zinc/04/55/94/145045594.db2.gz BBZZVSJAXXAOIL-HNNXBMFYSA-N 1 0 306.454 2.488 10 0 DEAERO CCN(CCC[NH+](C)C)S(=O)(=O)c1cccc2ncccc21 ZINC000190854738 145048840 /nfs/dbraw/zinc/04/88/40/145048840.db2.gz WPQUYQUXBGIFGV-UHFFFAOYSA-N 1 0 321.446 2.197 10 0 DEAERO C[C@H](C(=O)NC[C@H]1CCCO1)N1CC2(CCCC2)OC(C)(C)C1 ZINC000190971316 145051252 /nfs/dbraw/zinc/05/12/52/145051252.db2.gz RSHASFPSUQDFBP-HUUCEWRRSA-N 1 0 324.465 2.094 10 0 DEAERO O=C1O[C@H](C[N@@H+]2CC[C@H](Oc3cccnc3)C2)CC12CCC2 ZINC000192078756 145070846 /nfs/dbraw/zinc/07/08/46/145070846.db2.gz HPXGJGKAUMHQLG-GJZGRUSLSA-N 1 0 302.374 2.021 10 0 DEAERO COc1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1F ZINC000192933871 145080503 /nfs/dbraw/zinc/08/05/03/145080503.db2.gz RDGMYZIFKPMNET-ZDUSSCGKSA-N 1 0 304.369 2.338 10 0 DEAERO O=C(NCc1ccccn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192905255 145080546 /nfs/dbraw/zinc/08/05/46/145080546.db2.gz OYGZLYGKYHPEPY-UHFFFAOYSA-N 1 0 302.422 2.099 10 0 DEAERO Cc1ccc(NC(=O)C2CCN(CC[NH2+]C(C)C)CC2)nc1 ZINC000193466555 145086693 /nfs/dbraw/zinc/08/66/93/145086693.db2.gz SCEPVVKNEPWYPV-UHFFFAOYSA-N 1 0 304.438 2.039 10 0 DEAERO C[C@@H](C(=O)NCc1ccccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246221343 145095421 /nfs/dbraw/zinc/09/54/21/145095421.db2.gz QKEKFJKKRVZJIO-HOCLYGCPSA-N 1 0 319.424 2.001 10 0 DEAERO Clc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCCO2 ZINC000246319279 145098909 /nfs/dbraw/zinc/09/89/09/145098909.db2.gz KJKMIPVFXDOYER-ZDUSSCGKSA-N 1 0 308.809 2.391 10 0 DEAERO CCCCOCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246373382 145101088 /nfs/dbraw/zinc/10/10/88/145101088.db2.gz MLLDGIQPWMLKQL-WBVHZDCISA-N 1 0 319.449 2.225 10 0 DEAERO C[C@H](CCc1cccn1C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246399217 145101786 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C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246784971 145114223 /nfs/dbraw/zinc/11/42/23/145114223.db2.gz BHAOOOMVHBOVNT-VQHPVUNQSA-N 1 0 307.482 2.192 10 0 DEAERO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(C)c1 ZINC000246837266 145116295 /nfs/dbraw/zinc/11/62/95/145116295.db2.gz CXCJVRJOXBPWMZ-HUUCEWRRSA-N 1 0 308.447 2.161 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000247029084 145124088 /nfs/dbraw/zinc/12/40/88/145124088.db2.gz GGIHQRMQDBNPFR-HUUCEWRRSA-N 1 0 308.447 2.161 10 0 DEAERO Cc1ccc(N2CCC[C@H](N3CC[C@@H](C[NH+](C)C)C3)C2=O)cc1 ZINC000245463765 292133054 /nfs/dbraw/zinc/13/30/54/292133054.db2.gz XOSUGDARTVNOSM-WMZOPIPTSA-N 1 0 315.461 2.374 10 0 DEAERO CC(C)OCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247201656 145129091 /nfs/dbraw/zinc/12/90/91/145129091.db2.gz LVDFFSYWCPCCLM-NVXWUHKLSA-N 1 0 319.449 2.223 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COc3ccccc3C2)[C@@H](C)C1 ZINC000247216328 145129352 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/nfs/dbraw/zinc/18/25/08/145182508.db2.gz FOVBVRBCIZTHBX-LBPRGKRZSA-N 1 0 320.343 2.295 10 0 DEAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000249366309 145182904 /nfs/dbraw/zinc/18/29/04/145182904.db2.gz VDEDDYISDXWPFJ-BDXSIMOUSA-N 1 0 321.509 2.296 10 0 DEAERO O[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)cc5c4OCOC5)[C@H]1[C@H]3C2 ZINC000249457501 145184768 /nfs/dbraw/zinc/18/47/68/145184768.db2.gz GJLHUJHLVYTDJA-KHXLIRGESA-N 1 0 321.804 2.408 10 0 DEAERO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)[C@@H](CO)CC(C)C)c1 ZINC000249470486 145185019 /nfs/dbraw/zinc/18/50/19/145185019.db2.gz UDJAPMGJHHBRSQ-SJORKVTESA-N 1 0 309.450 2.382 10 0 DEAERO CSC[C@H](O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000249468652 145185027 /nfs/dbraw/zinc/18/50/27/145185027.db2.gz RFSIFPLIAGPBOT-YNEHKIRRSA-N 1 0 301.477 2.360 10 0 DEAERO C[N@H+](CCN1CCC[C@]12CCOC2=O)Cc1ccc(F)cc1 ZINC000249527868 145185908 /nfs/dbraw/zinc/18/59/08/145185908.db2.gz AIUSAPWOIYGUHX-QGZVFWFLSA-N 1 0 306.381 2.039 10 0 DEAERO C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249576155 145187008 /nfs/dbraw/zinc/18/70/08/145187008.db2.gz POFAUUGAXDEKJN-VNQPRFMTSA-N 1 0 322.474 2.157 10 0 DEAERO C[C@@H]1CC([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)C[C@@H](C)O1 ZINC000249600147 145187702 /nfs/dbraw/zinc/18/77/02/145187702.db2.gz NSBMFLBOWVBXON-XNJGSVPQSA-N 1 0 320.408 2.472 10 0 DEAERO O=C(C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)N1CCCCCC1 ZINC000249602469 145187745 /nfs/dbraw/zinc/18/77/45/145187745.db2.gz YSFDOXBHRIDSAC-HOTGVXAUSA-N 1 0 322.474 2.158 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([C@H]3CCCO3)CC2)C1 ZINC000251542674 145194827 /nfs/dbraw/zinc/19/48/27/145194827.db2.gz DSSZDLPLVPSTNJ-HZPDHXFCSA-N 1 0 309.454 2.071 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC[C@H]1C ZINC000251864549 145196873 /nfs/dbraw/zinc/19/68/73/145196873.db2.gz ONOVJJQBVUPFLB-VNHYZAJKSA-N 1 0 322.474 2.378 10 0 DEAERO COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C)[C@H](OC)C2)c1 ZINC000251906685 145197386 /nfs/dbraw/zinc/19/73/86/145197386.db2.gz RKAVXMTZMPPZAL-WMLDXEAASA-N 1 0 320.433 2.010 10 0 DEAERO CO[C@@H]1CN([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC[C@H]1C ZINC000252015759 145198130 /nfs/dbraw/zinc/19/81/30/145198130.db2.gz YEEDVNVVEKVDPX-HZSPNIEDSA-N 1 0 308.426 2.148 10 0 DEAERO C[C@@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000252734102 145199773 /nfs/dbraw/zinc/19/97/73/145199773.db2.gz SIGOMSCWPBBEKQ-RHSMWYFYSA-N 1 0 320.408 2.051 10 0 DEAERO CC[C@@H]1CN(C/C=C\c2ccccc2OC)CC[N@@H+]1C[C@H](C)O ZINC000255030228 145203163 /nfs/dbraw/zinc/20/31/63/145203163.db2.gz BBAASKIBXDFEQK-NKAACUPNSA-N 1 0 318.461 2.485 10 0 DEAERO C[C@H](C(=O)N1CCc2sccc2C1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261622849 145211078 /nfs/dbraw/zinc/21/10/78/145211078.db2.gz DPPDWMNUNYILBJ-IUODEOHRSA-N 1 0 321.490 2.081 10 0 DEAERO COC(=O)[C@H](C)Oc1ccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261683096 145216164 /nfs/dbraw/zinc/21/61/64/145216164.db2.gz KBQNGWVPUXMMCI-XJKSGUPXSA-N 1 0 320.433 2.186 10 0 DEAERO C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261682764 145216424 /nfs/dbraw/zinc/21/64/24/145216424.db2.gz HBXODCGIKPOYPR-QMTHXVAHSA-N 1 0 311.376 2.351 10 0 DEAERO C[C@@H]1CCN(C(=O)CCc2nc3ccccc3o2)[C@@H](C[NH3+])C1 ZINC000261693937 145217490 /nfs/dbraw/zinc/21/74/90/145217490.db2.gz FCELAYCBKWNXBL-CHWSQXEVSA-N 1 0 301.390 2.346 10 0 DEAERO O=C(c1c[nH]c(C2CC2)n1)N1CCNC[C@H]1c1cccc(F)c1 ZINC000261696214 145217839 /nfs/dbraw/zinc/21/78/39/145217839.db2.gz CQVQGAASXDRNON-HNNXBMFYSA-N 1 0 314.364 2.213 10 0 DEAERO Cc1ccc(C(=O)CCC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1C ZINC000261702579 145218304 /nfs/dbraw/zinc/21/83/04/145218304.db2.gz JKVNXSRXUNJWGT-LSDHHAIUSA-N 1 0 302.418 2.462 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)c1ccc2c(c1)OCO2 ZINC000261704329 145218492 /nfs/dbraw/zinc/21/84/92/145218492.db2.gz JWMFTIHNRRZTNF-UHFFFAOYSA-N 1 0 312.369 2.059 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000261709460 145219073 /nfs/dbraw/zinc/21/90/73/145219073.db2.gz OZPRXNSTEWEGQV-ZDUSSCGKSA-N 1 0 314.426 2.109 10 0 DEAERO Cc1ccn(-c2ccc(C(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)cc2)n1 ZINC000261784841 145225664 /nfs/dbraw/zinc/22/56/64/145225664.db2.gz HRDHBXDKNGHFPS-MRXNPFEDSA-N 1 0 312.417 2.380 10 0 DEAERO CCC(CC)(CNC(=O)C1([NH3+])CCOCC1)c1ccccc1 ZINC000261792490 145226839 /nfs/dbraw/zinc/22/68/39/145226839.db2.gz IHUILSXMCWOJCP-UHFFFAOYSA-N 1 0 304.434 2.369 10 0 DEAERO c1cn(-c2ccc(CN3CC[NH2+]C[C@H]3c3cccnc3)cc2)cn1 ZINC000261802064 145227995 /nfs/dbraw/zinc/22/79/95/145227995.db2.gz QYQSMTWTAMKBQF-IBGZPJMESA-N 1 0 319.412 2.414 10 0 DEAERO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261800785 145228141 /nfs/dbraw/zinc/22/81/41/145228141.db2.gz UTJHCHMTFKIDQQ-QTXGHNMQSA-N 1 0 315.461 2.421 10 0 DEAERO CN(CC(=O)NCc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261816995 145230058 /nfs/dbraw/zinc/23/00/58/145230058.db2.gz AKLMSZRUZQVXSV-XYPWUTKMSA-N 1 0 321.852 2.171 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)c1ccncc1Cl ZINC000261828746 145231570 /nfs/dbraw/zinc/23/15/70/145231570.db2.gz YWBWTUPCMLNMBD-UHFFFAOYSA-N 1 0 303.793 2.379 10 0 DEAERO C[C@H](C(=O)Nc1c(F)cccc1F)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261845357 145233062 /nfs/dbraw/zinc/23/30/62/145233062.db2.gz QXCDTBMCEWSXIA-ZWNOBZJWSA-N 1 0 311.376 2.351 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000261863496 145235277 /nfs/dbraw/zinc/23/52/77/145235277.db2.gz RORIDRZLFIACGW-FRRDWIJNSA-N 1 0 323.387 2.035 10 0 DEAERO CC(C)n1cc2cc(NC(=O)[C@@H]([NH3+])C3CCOCC3)ccc2n1 ZINC000261868554 145235409 /nfs/dbraw/zinc/23/54/09/145235409.db2.gz SUUOITFOOBSBHA-INIZCTEOSA-N 1 0 316.405 2.310 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261872810 145236556 /nfs/dbraw/zinc/23/65/56/145236556.db2.gz TWLNUFRZNWJSLG-SQWLQELKSA-N 1 0 303.450 2.312 10 0 DEAERO Cc1noc(C2CCC(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)n1 ZINC000261879751 145237133 /nfs/dbraw/zinc/23/71/33/145237133.db2.gz YVOPGMKTXRYZNQ-GNRIBBGQSA-N 1 0 306.410 2.038 10 0 DEAERO C[C@H]1CN(C(=O)C2([NH3+])CCOCC2)CC[C@H]1c1ccccc1 ZINC000261900761 145239715 /nfs/dbraw/zinc/23/97/15/145239715.db2.gz RQWRESKDXQFPOG-GOEBONIOSA-N 1 0 302.418 2.147 10 0 DEAERO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261912196 145241095 /nfs/dbraw/zinc/24/10/95/145241095.db2.gz JEGINAMEVGPXIB-KURKYZTESA-N 1 0 304.434 2.332 10 0 DEAERO Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261920655 145241489 /nfs/dbraw/zinc/24/14/89/145241489.db2.gz KGEUCMOCEBBGES-KSZLIROESA-N 1 0 304.434 2.121 10 0 DEAERO [NH3+]C1(C(=O)Nc2cccc(CC(F)(F)F)c2)CCOCC1 ZINC000261919548 145241741 /nfs/dbraw/zinc/24/17/41/145241741.db2.gz UURZQXJIFKBRMY-UHFFFAOYSA-N 1 0 302.296 2.238 10 0 DEAERO COc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c(C)c1 ZINC000261937583 145244141 /nfs/dbraw/zinc/24/41/41/145244141.db2.gz UGIYWJVFPSREHD-DHSIGJKJSA-N 1 0 318.417 2.475 10 0 DEAERO [NH3+]C1(C(=O)NCCc2c(Cl)cccc2Cl)CCOCC1 ZINC000261939375 145244826 /nfs/dbraw/zinc/24/48/26/145244826.db2.gz XDVRMRWGTFUENM-UHFFFAOYSA-N 1 0 317.216 2.160 10 0 DEAERO [NH3+][C@H](C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F)C1CCOCC1 ZINC000261940368 145244830 /nfs/dbraw/zinc/24/48/30/145244830.db2.gz JHRRVEQQQINXQZ-UPJWGTAASA-N 1 0 322.371 2.225 10 0 DEAERO CCOc1ccc(OCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261986062 145250535 /nfs/dbraw/zinc/25/05/35/145250535.db2.gz MMICMPUYOFHXIU-HNNXBMFYSA-N 1 0 306.406 2.050 10 0 DEAERO CC1(C)CN(C(=O)C[C@@H]2OCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000262017153 145253825 /nfs/dbraw/zinc/25/38/25/145253825.db2.gz OOAVDLPFCFSIIC-HOTGVXAUSA-N 1 0 302.418 2.276 10 0 DEAERO Cc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)s1 ZINC000262038190 145256316 /nfs/dbraw/zinc/25/63/16/145256316.db2.gz HKVBLQUAEJGXPU-CQSZACIVSA-N 1 0 307.463 2.015 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1cccc(F)c1 ZINC000262063310 145258398 /nfs/dbraw/zinc/25/83/98/145258398.db2.gz RJXUMLKMDYXIEC-UHFFFAOYSA-N 1 0 322.405 2.018 10 0 DEAERO CC[C@@H](c1nc(-c2ccc(C[NH3+])cc2)no1)N1CCCC1=O ZINC000262060516 145258421 /nfs/dbraw/zinc/25/84/21/145258421.db2.gz RCBFGUDFQIJXTD-ZDUSSCGKSA-N 1 0 300.362 2.269 10 0 DEAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1nccn1C(F)F ZINC000262205179 145269701 /nfs/dbraw/zinc/26/97/01/145269701.db2.gz KUYHSIBXOGUWLD-ZDUSSCGKSA-N 1 0 322.359 2.433 10 0 DEAERO O=C(NCc1ccc(OCc2cccc(F)c2)cc1)C1C[NH2+]C1 ZINC000262285967 145273459 /nfs/dbraw/zinc/27/34/59/145273459.db2.gz WQQGGPXGGKDVDB-UHFFFAOYSA-N 1 0 314.360 2.240 10 0 DEAERO CC(C)(C)NC(=O)CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262289948 145273816 /nfs/dbraw/zinc/27/38/16/145273816.db2.gz VWYKBXNLLMWZSR-AWEZNQCLSA-N 1 0 309.841 2.201 10 0 DEAERO CN(C)C(=O)c1cccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000262448651 145284251 /nfs/dbraw/zinc/28/42/51/145284251.db2.gz HOBCSARVVGYFBD-CQSZACIVSA-N 1 0 303.406 2.105 10 0 DEAERO O=C(COc1cccc(F)c1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262473953 145286946 /nfs/dbraw/zinc/28/69/46/145286946.db2.gz YQFYFHIRQMFXAG-KRWDZBQOSA-N 1 0 314.360 2.208 10 0 DEAERO Cc1ccccc1C1(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCCCC1 ZINC000262503670 145288142 /nfs/dbraw/zinc/28/81/42/145288142.db2.gz KYUUDZFCDCJHGK-RDJZCZTQSA-N 1 0 316.445 2.036 10 0 DEAERO C[C@@H](C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)C1C[NH2+]C1 ZINC000262500555 145288394 /nfs/dbraw/zinc/28/83/94/145288394.db2.gz IQTHFUXNDKVWJZ-BXUZGUMPSA-N 1 0 322.380 2.178 10 0 DEAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1ccccc1C(=O)NC1CC1 ZINC000262555210 145293035 /nfs/dbraw/zinc/29/30/35/145293035.db2.gz TZPAEOARYZIVSI-GFCCVEGCSA-N 1 0 301.390 2.050 10 0 DEAERO C[C@@H](NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000262587097 145295478 /nfs/dbraw/zinc/29/54/78/145295478.db2.gz ZWJPMQRMFMRBNS-LJGDNWOOSA-N 1 0 302.418 2.396 10 0 DEAERO O=C(C[NH2+]CC1CC1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000262601478 145296139 /nfs/dbraw/zinc/29/61/39/145296139.db2.gz CUKVAKRRSBCEMD-UHFFFAOYSA-N 1 0 306.381 2.195 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262719084 145301707 /nfs/dbraw/zinc/30/17/07/145301707.db2.gz FGRHQLGBDQATNT-XHDPSFHLSA-N 1 0 318.808 2.254 10 0 DEAERO Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1C ZINC000262778485 145305238 /nfs/dbraw/zinc/30/52/38/145305238.db2.gz OHIUGYROFJYSBE-IUODEOHRSA-N 1 0 310.463 2.197 10 0 DEAERO O=C(CCC1CC[NH2+]CC1)NC[C@@H](O)c1cccc(Cl)c1 ZINC000262964263 145314036 /nfs/dbraw/zinc/31/40/36/145314036.db2.gz KZKZPBOLFDTAEV-OAHLLOKOSA-N 1 0 310.825 2.269 10 0 DEAERO CO[C@@H]1C[C@@H]([NH2+]Cc2c(Br)cnn2C)C1(C)C ZINC000310120569 145352510 /nfs/dbraw/zinc/35/25/10/145352510.db2.gz ABSOHOBOOVSJFF-GHMZBOCLSA-N 1 0 302.216 2.086 10 0 DEAERO COc1ccccc1[C@@H](C)Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263134804 145328534 /nfs/dbraw/zinc/32/85/34/145328534.db2.gz BYPHWRUWFIKEJZ-GXTWGEPZSA-N 1 0 316.405 2.001 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(/C=C/c2c(F)cccc2F)n1 ZINC000263179020 145332779 /nfs/dbraw/zinc/33/27/79/145332779.db2.gz GNLMYTDYAMMADX-GFUIURDCSA-N 1 0 306.316 2.094 10 0 DEAERO CC[C@@H](C)Oc1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263185046 145333676 /nfs/dbraw/zinc/33/36/76/145333676.db2.gz HGDQXUBQUOYBPJ-DOMZBBRYSA-N 1 0 316.405 2.490 10 0 DEAERO Cc1ccccc1[C@@H](C)Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263201419 145335676 /nfs/dbraw/zinc/33/56/76/145335676.db2.gz JCISNKGATXQNAQ-ZFWWWQNUSA-N 1 0 300.406 2.300 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(CCSc2ccccc2F)n1 ZINC000263213587 145336566 /nfs/dbraw/zinc/33/65/66/145336566.db2.gz KNUYAIWILGPAGW-GFCCVEGCSA-N 1 0 322.409 2.120 10 0 DEAERO CN(C(=O)c1ccc(Br)cn1)[C@H]1C[NH+]2CCC1CC2 ZINC000311758801 145354211 /nfs/dbraw/zinc/35/42/11/145354211.db2.gz UVIBUSAIWWMSKZ-ZDUSSCGKSA-N 1 0 324.222 2.010 10 0 DEAERO c1ccc(OCC2CC2)c(C[NH2+]CCN2CCCOCC2)c1 ZINC000349408828 146377231 /nfs/dbraw/zinc/37/72/31/146377231.db2.gz QINMLXONOPRGGT-UHFFFAOYSA-N 1 0 304.434 2.287 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1ccc2c(c1)CCO2 ZINC000358268850 147102534 /nfs/dbraw/zinc/10/25/34/147102534.db2.gz YSCDSBSLQZEXPR-MRXNPFEDSA-N 1 0 302.418 2.155 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)Nc2ccc([S@](C)=O)cc2)CC1 ZINC000358475476 147141149 /nfs/dbraw/zinc/14/11/49/147141149.db2.gz ZVIUWFHIHGYOBF-QFIPXVFZSA-N 1 0 321.446 2.198 10 0 DEAERO CC[N@H+](CCNC(=O)NC[C@](C)(O)C1CCCCC1)C(C)C ZINC000358640696 147170873 /nfs/dbraw/zinc/17/08/73/147170873.db2.gz XPQZZMFXPINWBR-KRWDZBQOSA-N 1 0 313.486 2.347 10 0 DEAERO COC(=O)[C@@H](NCc1ccc(NC(=O)C(C)C)cc1)C1CC1 ZINC000358821330 147212363 /nfs/dbraw/zinc/21/23/63/147212363.db2.gz SXNAOEZTNSWWDS-HNNXBMFYSA-N 1 0 304.390 2.322 10 0 DEAERO OC[C@H](C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)[C@H]1CCOC1 ZINC000360871560 147401534 /nfs/dbraw/zinc/40/15/34/147401534.db2.gz JUPOHYNEKJZIDS-DSLXNQLJSA-N 1 0 319.445 2.389 10 0 DEAERO COc1cccc(C2CC[NH+](CCC(=O)N(C)OC)CC2)c1 ZINC000369190506 147883316 /nfs/dbraw/zinc/88/33/16/147883316.db2.gz YZJLVYREHBVEOV-UHFFFAOYSA-N 1 0 306.406 2.285 10 0 DEAERO C=Cn1cc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cn1 ZINC000374281957 148225569 /nfs/dbraw/zinc/22/55/69/148225569.db2.gz ZZAKMPZCTLPNIG-RHSMWYFYSA-N 1 0 310.401 2.263 10 0 DEAERO CCOCC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000245552393 286026410 /nfs/dbraw/zinc/02/64/10/286026410.db2.gz QKAWQGBNDXLHAZ-WMZOPIPTSA-N 1 0 318.417 2.126 10 0 DEAERO COc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1F ZINC000374719584 148282400 /nfs/dbraw/zinc/28/24/00/148282400.db2.gz VVTZXGZMVXYHOM-PBHICJAKSA-N 1 0 323.408 2.492 10 0 DEAERO C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000565812085 292183239 /nfs/dbraw/zinc/18/32/39/292183239.db2.gz SVKHMYXQCJFSJV-LAQRGFTBSA-N 1 0 305.418 2.284 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c(C)c1 ZINC000246266562 292183345 /nfs/dbraw/zinc/18/33/45/292183345.db2.gz USOJKSONJWFZFQ-HUUCEWRRSA-N 1 0 310.463 2.310 10 0 DEAERO COc1cccc(N2CC[C@@H](C[NH2+]Cc3c(C)cnn3C)C2)c1 ZINC000375683871 148399908 /nfs/dbraw/zinc/39/99/08/148399908.db2.gz AYTIWZXOZVXOQW-HNNXBMFYSA-N 1 0 314.433 2.353 10 0 DEAERO CO[C@H]1C[C@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)C12CCC2 ZINC000458675345 286107038 /nfs/dbraw/zinc/10/70/38/286107038.db2.gz XHMOBMTUSNUFAT-HOTGVXAUSA-N 1 0 321.465 2.237 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000111713079 401722333 /nfs/dbraw/zinc/72/23/33/401722333.db2.gz QVNXNZPKNDEPHD-GHMZBOCLSA-N 1 0 302.465 2.058 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1C ZINC000111789306 401723820 /nfs/dbraw/zinc/72/38/20/401723820.db2.gz CLKCJFVWCABAAE-CVEARBPZSA-N 1 0 319.449 2.466 10 0 DEAERO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000111845123 401726100 /nfs/dbraw/zinc/72/61/00/401726100.db2.gz KQCOJNFXBGFROP-HNNXBMFYSA-N 1 0 303.406 2.292 10 0 DEAERO COCCC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000127281413 401727367 /nfs/dbraw/zinc/72/73/67/401727367.db2.gz HPFOJBWDURSKGC-KRWDZBQOSA-N 1 0 320.433 2.327 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000127326240 401729027 /nfs/dbraw/zinc/72/90/27/401729027.db2.gz HQZZFJAPBQATSS-HNNXBMFYSA-N 1 0 320.433 2.383 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC(C)(C)CC1 ZINC000074167418 401731693 /nfs/dbraw/zinc/73/16/93/401731693.db2.gz NINDQUFTYKWRKA-HNNXBMFYSA-N 1 0 311.470 2.319 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3cccnc3)cc2)CC1 ZINC000074165969 401731807 /nfs/dbraw/zinc/73/18/07/401731807.db2.gz LRWCMQHXGIOTOI-UHFFFAOYSA-N 1 0 310.401 2.476 10 0 DEAERO C[C@H]1CC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@H](C)C1 ZINC000127585778 401741170 /nfs/dbraw/zinc/74/11/70/401741170.db2.gz MQFJESNCLLIRCO-UONOGXRCSA-N 1 0 315.417 2.340 10 0 DEAERO CC[C@H]1CCCCCN1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000074657116 401743706 /nfs/dbraw/zinc/74/37/06/401743706.db2.gz IPKZKQVGLKNXKM-SJORKVTESA-N 1 0 324.513 2.234 10 0 DEAERO C[C@H](NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)C(C)(C)C ZINC000112461169 401746168 /nfs/dbraw/zinc/74/61/68/401746168.db2.gz MHABAZPUZNEPCC-KBPBESRZSA-N 1 0 311.470 2.316 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]C2CCN(c3ncccn3)CC2)C1(C)C ZINC000126346889 401690119 /nfs/dbraw/zinc/69/01/19/401690119.db2.gz ZGNAXGJLAHIDNK-CABCVRRESA-N 1 0 304.438 2.239 10 0 DEAERO CC(=O)CCN1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000111244993 401702925 /nfs/dbraw/zinc/70/29/25/401702925.db2.gz NKWVHYMLIHGTDB-UHFFFAOYSA-N 1 0 310.401 2.245 10 0 DEAERO CC(C)[C@@](O)(C(=O)OCC1=CC[N@H+](C)CC1)c1ccccc1 ZINC000002009045 401711731 /nfs/dbraw/zinc/71/17/31/401711731.db2.gz VZCBERXKHILZBM-SFHVURJKSA-N 1 0 303.402 2.335 10 0 DEAERO COc1ccc(S(=O)(=O)[C@H](C[NH3+])c2cccc(OC)c2)cc1 ZINC000008037287 401747951 /nfs/dbraw/zinc/74/79/51/401747951.db2.gz SHBSZLUARGCWRU-MRXNPFEDSA-N 1 0 321.398 2.178 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)CCn2cnc3ccccc32)CC[N@@H+]1C ZINC000127904518 401755032 /nfs/dbraw/zinc/75/50/32/401755032.db2.gz FEXQLWLCEIQCEA-GJZGRUSLSA-N 1 0 314.433 2.368 10 0 DEAERO CC(C)[N@H+](CCS(=O)(=O)c1ccccc1)C1CCOCC1 ZINC000077322893 401809895 /nfs/dbraw/zinc/80/98/95/401809895.db2.gz IPCZOJOEMSRGNI-UHFFFAOYSA-N 1 0 311.447 2.350 10 0 DEAERO CCOc1cc(C(=O)NCCC[N@H+](C)CCOC)ccc1C ZINC000113148270 401767994 /nfs/dbraw/zinc/76/79/94/401767994.db2.gz CBNMSFZPNLFFHT-UHFFFAOYSA-N 1 0 308.422 2.092 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000113185606 401769102 /nfs/dbraw/zinc/76/91/02/401769102.db2.gz UOCWWPYSXVZWCM-HNNXBMFYSA-N 1 0 317.364 2.234 10 0 DEAERO C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000128295950 401770500 /nfs/dbraw/zinc/77/05/00/401770500.db2.gz SNGGHXFCWVONKM-SJORKVTESA-N 1 0 302.418 2.389 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)nc1 ZINC000113230930 401771892 /nfs/dbraw/zinc/77/18/92/401771892.db2.gz FYKHYLISRUAHDU-ZYHUDNBSSA-N 1 0 313.323 2.409 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)NCC1CCCCC1 ZINC000113269062 401774015 /nfs/dbraw/zinc/77/40/15/401774015.db2.gz LGJJGJKMGWSXIG-DOTOQJQBSA-N 1 0 307.482 2.242 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1Cl ZINC000113305503 401776067 /nfs/dbraw/zinc/77/60/67/401776067.db2.gz BFCWWCKZSKBRKX-NWDGAFQWSA-N 1 0 314.838 2.197 10 0 DEAERO CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)[C@H]1CCCO1 ZINC000128526663 401781272 /nfs/dbraw/zinc/78/12/72/401781272.db2.gz DOMCHAKTJSCPQI-BZUAXINKSA-N 1 0 311.470 2.364 10 0 DEAERO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076107906 401782895 /nfs/dbraw/zinc/78/28/95/401782895.db2.gz DBVUSLRVJMBHAJ-HOTGVXAUSA-N 1 0 304.434 2.489 10 0 DEAERO CCCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128577007 401784073 /nfs/dbraw/zinc/78/40/73/401784073.db2.gz OFVOEGVPOKYTMX-CABCVRRESA-N 1 0 302.426 2.467 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(F)cc(F)c1 ZINC000076190809 401786442 /nfs/dbraw/zinc/78/64/42/401786442.db2.gz AMCCLARDZPZMCG-NSHDSACASA-N 1 0 318.389 2.118 10 0 DEAERO CC[NH+](CC)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077330624 401811092 /nfs/dbraw/zinc/81/10/92/401811092.db2.gz OQNFAAWKLYSWAG-AWEZNQCLSA-N 1 0 304.390 2.421 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(OC)cc2)[C@H](C)C1 ZINC000076483673 401796570 /nfs/dbraw/zinc/79/65/70/401796570.db2.gz DQQMAWHQCRINLW-RHSMWYFYSA-N 1 0 304.434 2.426 10 0 DEAERO CC(C)=CC(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000115155510 401819817 /nfs/dbraw/zinc/81/98/17/401819817.db2.gz UZUWUGVOHMZRBR-UHFFFAOYSA-N 1 0 324.428 2.483 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(C(C)(C)C)nn1C ZINC000077639392 401822789 /nfs/dbraw/zinc/82/27/89/401822789.db2.gz QOQAOZHVBCKKCE-ZDUSSCGKSA-N 1 0 306.454 2.322 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077837804 401834468 /nfs/dbraw/zinc/83/44/68/401834468.db2.gz NBZWCXRDTINTBU-XHSDSOJGSA-N 1 0 311.470 2.101 10 0 DEAERO C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccn1 ZINC000079206697 401871390 /nfs/dbraw/zinc/87/13/90/401871390.db2.gz KWBLXKVARAWQGD-CQSZACIVSA-N 1 0 302.422 2.412 10 0 DEAERO Cc1cccnc1[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000115840197 401838317 /nfs/dbraw/zinc/83/83/17/401838317.db2.gz FGKIXAUOYXTWMB-GJZGRUSLSA-N 1 0 304.438 2.433 10 0 DEAERO Cc1nccn1CCC[N@@H+](C)C[C@@H](O)COc1ccc(C)cc1 ZINC000130816869 401839503 /nfs/dbraw/zinc/83/95/03/401839503.db2.gz VLLZPCYCMSJDIN-QGZVFWFLSA-N 1 0 317.433 2.262 10 0 DEAERO CN(CC1CCCCC1)C(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116309873 401848834 /nfs/dbraw/zinc/84/88/34/401848834.db2.gz XNWOUIARNDKUEL-MRXNPFEDSA-N 1 0 318.465 2.248 10 0 DEAERO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116318369 401849562 /nfs/dbraw/zinc/84/95/62/401849562.db2.gz GECMXJKJOREQJV-AIANPOQGSA-N 1 0 318.465 2.293 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC1CC1 ZINC000116526267 401854166 /nfs/dbraw/zinc/85/41/66/401854166.db2.gz KPLWQFXVQCEJEM-BBRMVZONSA-N 1 0 302.422 2.001 10 0 DEAERO CCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116569671 401854770 /nfs/dbraw/zinc/85/47/70/401854770.db2.gz WEECSNHWHUQCJL-GOEBONIOSA-N 1 0 304.438 2.343 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)Cc2ccccc2C)C[C@H]1CC ZINC000116771728 401858476 /nfs/dbraw/zinc/85/84/76/401858476.db2.gz QLZSLMZIKDIOJG-GOSISDBHSA-N 1 0 318.461 2.497 10 0 DEAERO Cc1cc(C)cc([C@@H](C)NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000117047453 401867926 /nfs/dbraw/zinc/86/79/26/401867926.db2.gz AKBIHHPZVSVTTM-WBVHZDCISA-N 1 0 319.449 2.336 10 0 DEAERO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCCC2(C)C)c1 ZINC000077382540 401813008 /nfs/dbraw/zinc/81/30/08/401813008.db2.gz UCDACWWTMBELKQ-UHFFFAOYSA-N 1 0 303.406 2.249 10 0 DEAERO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000129962578 401813427 /nfs/dbraw/zinc/81/34/27/401813427.db2.gz OCRDLBZGXADECV-UHFFFAOYSA-N 1 0 316.492 2.375 10 0 DEAERO CN1CCC(CNC(=O)C=C2CCC2)([NH+]2CCCCC2)CC1 ZINC000087335382 401931053 /nfs/dbraw/zinc/93/10/53/401931053.db2.gz ZGIURQUIIOTDIA-UHFFFAOYSA-N 1 0 305.466 2.163 10 0 DEAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@H]1CCCO1 ZINC000079487908 401874051 /nfs/dbraw/zinc/87/40/51/401874051.db2.gz SGOCRGPKHOKVHK-NVXWUHKLSA-N 1 0 319.449 2.327 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2cccc(F)c2)CC[N@@H+]1CCOC ZINC000117399107 401876070 /nfs/dbraw/zinc/87/60/70/401876070.db2.gz KYNHZPGWHMBLQJ-OAHLLOKOSA-N 1 0 309.385 2.400 10 0 DEAERO CCOC(=O)CCCC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000132948906 401876844 /nfs/dbraw/zinc/87/68/44/401876844.db2.gz ZKQBDBUTEDQVNQ-UHFFFAOYSA-N 1 0 320.437 2.111 10 0 DEAERO C[C@@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@H]1CCCO1 ZINC000079619971 401877891 /nfs/dbraw/zinc/87/78/91/401877891.db2.gz CTYAAGMOLNSYIZ-HUUCEWRRSA-N 1 0 311.470 2.317 10 0 DEAERO C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000133467672 401887782 /nfs/dbraw/zinc/88/77/82/401887782.db2.gz WVFZSWKRMXFATE-HNNXBMFYSA-N 1 0 318.465 2.410 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000118105778 401891231 /nfs/dbraw/zinc/89/12/31/401891231.db2.gz YTYZOGFMUHWEAD-HNNXBMFYSA-N 1 0 317.433 2.133 10 0 DEAERO FC(F)(F)c1cnc(NCCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000035307802 401898121 /nfs/dbraw/zinc/89/81/21/401898121.db2.gz OTPGGYIOIJKDLW-UHFFFAOYSA-N 1 0 322.762 2.461 10 0 DEAERO COCC[N@@H+](Cc1ccccc1C)C[C@H](O)COCC(C)C ZINC000036099870 401902611 /nfs/dbraw/zinc/90/26/11/401902611.db2.gz SNLYQTHCCMNWFX-SFHVURJKSA-N 1 0 309.450 2.477 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)NCC1([NH3+])CCCCCC1 ZINC000036266826 401903988 /nfs/dbraw/zinc/90/39/88/401903988.db2.gz WKPWDUWFAGXRDE-UHFFFAOYSA-N 1 0 314.426 2.464 10 0 DEAERO O=C(CCOC1CCOCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000084542735 401906980 /nfs/dbraw/zinc/90/69/80/401906980.db2.gz SSPWJMSYZQSQJD-INIZCTEOSA-N 1 0 324.465 2.049 10 0 DEAERO O=C(Nc1ccc(SC2CCCC2)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037033596 401910095 /nfs/dbraw/zinc/91/00/95/401910095.db2.gz DWOSQUUYGCRDTN-WFASDCNBSA-N 1 0 306.431 2.383 10 0 DEAERO OC[C@H]([NH2+]C[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000038114864 401923184 /nfs/dbraw/zinc/92/31/84/401923184.db2.gz TUZCNJSFTMDPRD-STQMWFEESA-N 1 0 300.196 2.251 10 0 DEAERO CNC(=O)CC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000044988149 401952993 /nfs/dbraw/zinc/95/29/93/401952993.db2.gz DPJALENDZDBUOF-LLVKDONJSA-N 1 0 300.349 2.335 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccc(OCC)c(OC)c1)[NH+](C)C ZINC000135863180 401953994 /nfs/dbraw/zinc/95/39/94/401953994.db2.gz IKBRLCLWCODJPV-AWEZNQCLSA-N 1 0 308.422 2.440 10 0 DEAERO CCC[C@H](C(=O)NCc1ccc(OCC)c(OC)c1)[NH+](C)C ZINC000135863216 401954133 /nfs/dbraw/zinc/95/41/33/401954133.db2.gz IKBRLCLWCODJPV-CQSZACIVSA-N 1 0 308.422 2.440 10 0 DEAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000089637590 401955182 /nfs/dbraw/zinc/95/51/82/401955182.db2.gz CQNSNHCVPHSVGW-NWDGAFQWSA-N 1 0 315.483 2.420 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc(Br)cc2)C[C@@H]1[NH+](C)C ZINC000089710194 401958543 /nfs/dbraw/zinc/95/85/43/401958543.db2.gz PUFVLNCSZMNWKP-MFKMUULPSA-N 1 0 311.223 2.471 10 0 DEAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCCCn1ccnc1C ZINC000119574899 401959707 /nfs/dbraw/zinc/95/97/07/401959707.db2.gz LWSPUDVNDWKHJD-MRXNPFEDSA-N 1 0 306.454 2.305 10 0 DEAERO C[NH+](C)CCn1ccc(NC(=O)c2scnc2C2CC2)n1 ZINC000089785154 401963231 /nfs/dbraw/zinc/96/32/31/401963231.db2.gz RELAFEDUHUYEFK-UHFFFAOYSA-N 1 0 305.407 2.031 10 0 DEAERO CC[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000136259195 401964402 /nfs/dbraw/zinc/96/44/02/401964402.db2.gz XRVAFJZSTNJUJS-TZMCWYRMSA-N 1 0 318.408 2.116 10 0 DEAERO CCCNC(=O)c1cccc(CNC(=O)[C@H](CCC)[NH+](C)C)c1 ZINC000136354528 401966359 /nfs/dbraw/zinc/96/63/59/401966359.db2.gz YEELLYYEMGHPRH-INIZCTEOSA-N 1 0 319.449 2.173 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000046860852 401974176 /nfs/dbraw/zinc/97/41/76/401974176.db2.gz BGEFMBHPDRVNAT-UKRRQHHQSA-N 1 0 315.417 2.103 10 0 DEAERO CCC(CC)CNC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000091856297 401998435 /nfs/dbraw/zinc/99/84/35/401998435.db2.gz RZMWVKKKCMUUST-KRWDZBQOSA-N 1 0 324.513 2.234 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1sc(COC)nc1C ZINC000136941177 401976363 /nfs/dbraw/zinc/97/63/63/401976363.db2.gz HHELGXQBCDHFKM-QWHCGFSZSA-N 1 0 323.462 2.297 10 0 DEAERO C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000136968736 401976626 /nfs/dbraw/zinc/97/66/26/401976626.db2.gz ZUTWQXQXXWZFRH-GDBMZVCRSA-N 1 0 309.454 2.214 10 0 DEAERO O=C(NCc1cscn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000138067402 401986148 /nfs/dbraw/zinc/98/61/48/401986148.db2.gz FAGWHEGPPHLKPP-UHFFFAOYSA-N 1 0 308.451 2.303 10 0 DEAERO CN(c1cccnn1)C1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000120339571 401987643 /nfs/dbraw/zinc/98/76/43/401987643.db2.gz HIIQEGHRZWOHJA-UHFFFAOYSA-N 1 0 322.416 2.454 10 0 DEAERO CN1C(=O)C[C@@H]([NH2+]C2CCN(C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000090968671 401989801 /nfs/dbraw/zinc/98/98/01/401989801.db2.gz KGRNWMGBGKSKPD-WBVHZDCISA-N 1 0 321.852 2.296 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC000150775571 401995020 /nfs/dbraw/zinc/99/50/20/401995020.db2.gz NJWHEPIBONSMFY-HOCLYGCPSA-N 1 0 317.433 2.087 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCOc1ccc(OC)cc1 ZINC000048214622 401995977 /nfs/dbraw/zinc/99/59/77/401995977.db2.gz WWMSDUHJPGNDID-AWEZNQCLSA-N 1 0 323.437 2.104 10 0 DEAERO O=C(NCCC[N@@H+]1CCC[C@H](c2nccs2)C1)C(F)(F)F ZINC000091552684 401996539 /nfs/dbraw/zinc/99/65/39/401996539.db2.gz YJGJJNZRDGAPCF-JTQLQIEISA-N 1 0 321.368 2.391 10 0 DEAERO COC[C@H](C)[NH2+]C[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000119432589 401949738 /nfs/dbraw/zinc/94/97/38/401949738.db2.gz SDZAYELTBTZGHS-KBPBESRZSA-N 1 0 308.422 2.155 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CCc2nc(C)no2)cc1NC(C)=O ZINC000089518392 401950503 /nfs/dbraw/zinc/95/05/03/401950503.db2.gz ZGBWZHDZOLVGCY-JTQLQIEISA-N 1 0 318.377 2.238 10 0 DEAERO O=S(=O)(CC1CCCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049044045 402010996 /nfs/dbraw/zinc/01/09/96/402010996.db2.gz PDWUIUKDGMGKDP-CVEARBPZSA-N 1 0 314.495 2.361 10 0 DEAERO CCc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000049044922 402011244 /nfs/dbraw/zinc/01/12/44/402011244.db2.gz SRDPMXFQCWSLHZ-FOSCPWQOSA-N 1 0 314.476 2.214 10 0 DEAERO O=C(c1cc(C2CC2)n[nH]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049072766 402011659 /nfs/dbraw/zinc/01/16/59/402011659.db2.gz RFYQVELRAIWZRP-UHFFFAOYSA-N 1 0 302.422 2.235 10 0 DEAERO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151105459 402016498 /nfs/dbraw/zinc/01/64/98/402016498.db2.gz YHUOMRNCSORCFK-HZPDHXFCSA-N 1 0 316.449 2.216 10 0 DEAERO Cc1ccc([C@H](CNC(=O)CCc2ccnn2C)[NH+](C)C)cc1 ZINC000121142213 402017673 /nfs/dbraw/zinc/01/76/73/402017673.db2.gz AKIBDRXUQFCELY-KRWDZBQOSA-N 1 0 314.433 2.080 10 0 DEAERO C[NH+]1CCC(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000121194527 402019884 /nfs/dbraw/zinc/01/98/84/402019884.db2.gz CPEBJVOYDKLTJW-CYBMUJFWSA-N 1 0 323.387 2.002 10 0 DEAERO Cc1cnc(CC[N@@H+](C)Cc2ccc(C(=O)N(C)C)[nH]2)s1 ZINC000093807152 402020691 /nfs/dbraw/zinc/02/06/91/402020691.db2.gz DQXCCQGQDWXKFX-UHFFFAOYSA-N 1 0 306.435 2.156 10 0 DEAERO COC(=O)c1sc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)nc1Cl ZINC000094463915 402022282 /nfs/dbraw/zinc/02/22/82/402022282.db2.gz BEKPCNIKTFUELD-RKDXNWHRSA-N 1 0 315.826 2.256 10 0 DEAERO Cc1sc2nc(CN3CCC[N@@H+](C)CC3)nc(N)c2c1C ZINC000049933681 402022542 /nfs/dbraw/zinc/02/25/42/402022542.db2.gz LXAWITROGHPJLP-UHFFFAOYSA-N 1 0 305.451 2.028 10 0 DEAERO CCN1CC[NH+](C[C@H](C)CNC(=O)NC(C)(CC)CC)CC1 ZINC000121254421 402023321 /nfs/dbraw/zinc/02/33/21/402023321.db2.gz FLZZHKXCTJLDLW-OAHLLOKOSA-N 1 0 312.502 2.138 10 0 DEAERO O[C@@H](C[N@@H+]1CC[C@H](COCc2ccccc2)C1)C(F)(F)F ZINC000121380798 402032219 /nfs/dbraw/zinc/03/22/19/402032219.db2.gz HVQGVJNITXBJSQ-KBPBESRZSA-N 1 0 303.324 2.448 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2csc(-c3ccco3)n2)C1 ZINC000121451498 402036627 /nfs/dbraw/zinc/03/66/27/402036627.db2.gz OGPADCSSBLXKAA-LBPRGKRZSA-N 1 0 320.418 2.249 10 0 DEAERO Cc1noc(C)c1[C@@H](C)CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000151480803 402038954 /nfs/dbraw/zinc/03/89/54/402038954.db2.gz BLVMYGAGMYQDJM-WFASDCNBSA-N 1 0 318.421 2.051 10 0 DEAERO C[N@H+](CCC(=O)NCc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000052103017 402039067 /nfs/dbraw/zinc/03/90/67/402039067.db2.gz SOZZVSUCZQXOCB-AWEZNQCLSA-N 1 0 310.825 2.457 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000151627025 402047421 /nfs/dbraw/zinc/04/74/21/402047421.db2.gz FYQVXACUEGYNFC-KBPBESRZSA-N 1 0 318.417 2.367 10 0 DEAERO C[NH+]1CCC(CCNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000151686012 402050974 /nfs/dbraw/zinc/05/09/74/402050974.db2.gz KZABHZYPRPHLGE-AEFFLSMTSA-N 1 0 323.481 2.055 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000048666227 402005564 /nfs/dbraw/zinc/00/55/64/402005564.db2.gz RABLUGFABNLEGQ-UHFFFAOYSA-N 1 0 316.854 2.363 10 0 DEAERO C[C@H]([NH2+]Cc1ccnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000152174024 402079771 /nfs/dbraw/zinc/07/97/71/402079771.db2.gz RNVPMVPGRSICDI-AWEZNQCLSA-N 1 0 302.422 2.211 10 0 DEAERO C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)CC1(O)CCCC1 ZINC000152194347 402081257 /nfs/dbraw/zinc/08/12/57/402081257.db2.gz ZHUVVVFMFKOUHB-LBPRGKRZSA-N 1 0 322.371 2.024 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152306083 402088560 /nfs/dbraw/zinc/08/85/60/402088560.db2.gz ZJNFBBLCSKLZMM-CQSZACIVSA-N 1 0 307.394 2.059 10 0 DEAERO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000123306406 402121087 /nfs/dbraw/zinc/12/10/87/402121087.db2.gz LHZQHWOYSIJCJY-SECBINFHSA-N 1 0 317.311 2.283 10 0 DEAERO COCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123315825 402121526 /nfs/dbraw/zinc/12/15/26/402121526.db2.gz YSMHPXLGJFBCAQ-HZPDHXFCSA-N 1 0 322.449 2.083 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2cc3ccccc3oc2=O)CC[N@@H+]1C ZINC000123177693 402113945 /nfs/dbraw/zinc/11/39/45/402113945.db2.gz MVAKSTQFQXNIJE-TZMCWYRMSA-N 1 0 314.385 2.348 10 0 DEAERO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1nncs1 ZINC000065984216 402128792 /nfs/dbraw/zinc/12/87/92/402128792.db2.gz SHYQPYWKVWVBLO-UHFFFAOYSA-N 1 0 323.397 2.273 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000123480628 402130238 /nfs/dbraw/zinc/13/02/38/402130238.db2.gz DQJAUKIJBOIDDG-ZIAGYGMSSA-N 1 0 308.426 2.227 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000123518114 402132006 /nfs/dbraw/zinc/13/20/06/402132006.db2.gz XXZORDJFDLRBQF-QGZVFWFLSA-N 1 0 306.450 2.201 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCO[C@H](c2ccsc2)C1)C1CC1 ZINC000123802797 402146746 /nfs/dbraw/zinc/14/67/46/402146746.db2.gz CUKCNLDMWAYBPU-HNNXBMFYSA-N 1 0 323.462 2.315 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000123911416 402153606 /nfs/dbraw/zinc/15/36/06/402153606.db2.gz ZPZYUJBORPNFTG-WFASDCNBSA-N 1 0 316.426 2.325 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)NCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000123969877 402156888 /nfs/dbraw/zinc/15/68/88/402156888.db2.gz XICZGEKMXVHDAB-CJNGLKHVSA-N 1 0 323.868 2.371 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)ccc1F ZINC000153635161 402158236 /nfs/dbraw/zinc/15/82/36/402158236.db2.gz ZPCAMJYZCIMXTE-BMFZPTHFSA-N 1 0 321.396 2.006 10 0 DEAERO CC[NH+](CC)[C@@H](C(=O)NCc1noc(C)n1)c1ccccc1 ZINC000124476885 402181803 /nfs/dbraw/zinc/18/18/03/402181803.db2.gz QELNXZWDNCIYEZ-OAHLLOKOSA-N 1 0 302.378 2.077 10 0 DEAERO CCCCOC(=O)CC[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000103230645 402182195 /nfs/dbraw/zinc/18/21/95/402182195.db2.gz NUOCSXGPHCDNFO-CQSZACIVSA-N 1 0 309.410 2.366 10 0 DEAERO COc1ccc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)cc1 ZINC000124123432 402164984 /nfs/dbraw/zinc/16/49/84/402164984.db2.gz LZZIYKIOYNAVIA-HNNXBMFYSA-N 1 0 304.434 2.380 10 0 DEAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000102683864 402170395 /nfs/dbraw/zinc/17/03/95/402170395.db2.gz WHCDGDULTNGRJF-JTQLQIEISA-N 1 0 317.311 2.034 10 0 DEAERO C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106789575 402216048 /nfs/dbraw/zinc/21/60/48/402216048.db2.gz NSGSWJGBSAZQCT-ZOBUZTSGSA-N 1 0 324.465 2.094 10 0 DEAERO C[C@@H](C(=O)N(C)C1CCCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125289454 402224420 /nfs/dbraw/zinc/22/44/20/402224420.db2.gz HZGMCCIEICCKAH-DOTOQJQBSA-N 1 0 307.482 2.336 10 0 DEAERO Cc1c(CCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cnn1C ZINC000125390467 402229696 /nfs/dbraw/zinc/22/96/96/402229696.db2.gz HHNWVDDJQSREBN-KRWDZBQOSA-N 1 0 314.433 2.080 10 0 DEAERO CCO[C@@H](C)c1nc(CN(C)C(=O)[C@@H](C)C2C[NH2+]C2)cs1 ZINC000262394703 286192833 /nfs/dbraw/zinc/19/28/33/286192833.db2.gz OSDBSXOIKJREIY-QWRGUYRKSA-N 1 0 311.451 2.055 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)Nc1cnc(N(C)C)nc1 ZINC000125600537 402241254 /nfs/dbraw/zinc/24/12/54/402241254.db2.gz OEKONTFKTGDJRI-UHFFFAOYSA-N 1 0 307.442 2.383 10 0 DEAERO COC(=O)[C@@H]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000107820360 402241506 /nfs/dbraw/zinc/24/15/06/402241506.db2.gz MOVLQKBHRVTVSY-LLVKDONJSA-N 1 0 311.765 2.106 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2Oc3ccccc3[C@H]2C)C1 ZINC000155700870 402264748 /nfs/dbraw/zinc/26/47/48/402264748.db2.gz OWIRHZDBLYOESL-LGWLGOQQSA-N 1 0 302.418 2.396 10 0 DEAERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(-n2ccnc2)cc1 ZINC000125699412 402245889 /nfs/dbraw/zinc/24/58/89/402245889.db2.gz MKTBMIUBWFTXKM-CRAIPNDOSA-N 1 0 315.417 2.312 10 0 DEAERO [NH3+][C@@H]1CCN(c2ccc(-c3nc(-c4ccccc4)no3)cn2)C1 ZINC000070457821 402261034 /nfs/dbraw/zinc/26/10/34/402261034.db2.gz DCLFHUBLTHVYSS-CQSZACIVSA-N 1 0 307.357 2.336 10 0 DEAERO COc1ccc(OC)c(-c2ccc(N3CCC[C@@H]([NH3+])C3)nn2)c1 ZINC000070458948 402261432 /nfs/dbraw/zinc/26/14/32/402261432.db2.gz LGDFSIPKIMAGMF-GFCCVEGCSA-N 1 0 314.389 2.088 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCOc2ccc(F)cc2)C1 ZINC000155579922 402261778 /nfs/dbraw/zinc/26/17/78/402261778.db2.gz SKXAWCUKYYVCAF-CJNGLKHVSA-N 1 0 308.397 2.440 10 0 DEAERO O=C(NCCC1=CCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000126125806 402265612 /nfs/dbraw/zinc/26/56/12/402265612.db2.gz IRKYHJZVEKUTQC-KRWDZBQOSA-N 1 0 321.465 2.241 10 0 DEAERO O=C(NCCCOC1CCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105208014 402206859 /nfs/dbraw/zinc/20/68/59/402206859.db2.gz IUJYPZVRXBNZMN-HNNXBMFYSA-N 1 0 309.454 2.215 10 0 DEAERO CCC[C@@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154360143 402208771 /nfs/dbraw/zinc/20/87/71/402208771.db2.gz OEGPCNRVZUKJOH-VPSFDDGASA-N 1 0 307.482 2.192 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC000105896800 402210341 /nfs/dbraw/zinc/21/03/41/402210341.db2.gz WUSIGOHINSAAAC-CQSZACIVSA-N 1 0 306.454 2.387 10 0 DEAERO CCC[C@@H](C(=O)NC[C@](C)(O)c1cccc(Cl)c1)[NH+](C)C ZINC000185076582 402322628 /nfs/dbraw/zinc/32/26/28/402322628.db2.gz SFSSFRQIMCKLDQ-HOCLYGCPSA-N 1 0 312.841 2.394 10 0 DEAERO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000109005812 402266917 /nfs/dbraw/zinc/26/69/17/402266917.db2.gz IIDDVRNSSJQHLB-KRWDZBQOSA-N 1 0 312.417 2.388 10 0 DEAERO O=C(CCC1CC[NH2+]CC1)NCc1cn2cc(Cl)ccc2n1 ZINC000155880284 402269848 /nfs/dbraw/zinc/26/98/48/402269848.db2.gz LFMMJGKVCSRRGG-UHFFFAOYSA-N 1 0 320.824 2.384 10 0 DEAERO CC(C)(C)OC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1[NH3+] ZINC000071186770 402270924 /nfs/dbraw/zinc/27/09/24/402270924.db2.gz JRBKUWVIXPIARC-KBPBESRZSA-N 1 0 320.389 2.272 10 0 DEAERO CCC([NH3+])(CC)CNc1ncc(I)cn1 ZINC000126282383 402272646 /nfs/dbraw/zinc/27/26/46/402272646.db2.gz 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CCc1ccc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000176892074 402347069 /nfs/dbraw/zinc/34/70/69/402347069.db2.gz HIUYYJHJYQYVKG-OAHLLOKOSA-N 1 0 318.461 2.414 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(F)c(C)c1 ZINC000176904563 402348697 /nfs/dbraw/zinc/34/86/97/402348697.db2.gz USZNOKFYPNMUSD-CQSZACIVSA-N 1 0 321.396 2.015 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC(N)=O)c1ccc(Cl)c2ccccc21 ZINC000185383736 402348901 /nfs/dbraw/zinc/34/89/01/402348901.db2.gz ASSCLRJBPKCMIS-SECBINFHSA-N 1 0 305.765 2.339 10 0 DEAERO CCOc1ccccc1OCC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176985061 402357119 /nfs/dbraw/zinc/35/71/19/402357119.db2.gz XJLUUWGTICZTSG-OAHLLOKOSA-N 1 0 320.433 2.407 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000177007780 402358772 /nfs/dbraw/zinc/35/87/72/402358772.db2.gz SSFZJLPMPGPXJA-UPJWGTAASA-N 1 0 323.462 2.468 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1nc(C(C)C)no1 ZINC000177028045 402360726 /nfs/dbraw/zinc/36/07/26/402360726.db2.gz MTSBMKDKBWQMEU-ZDUSSCGKSA-N 1 0 308.426 2.068 10 0 DEAERO CCOc1cccc(NC(=O)N2CC[NH+]([C@H](CC)CO)CC2)c1 ZINC000177141189 402374277 /nfs/dbraw/zinc/37/42/77/402374277.db2.gz SQOLZWVNVMAHCO-OAHLLOKOSA-N 1 0 321.421 2.006 10 0 DEAERO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236703408 402375816 /nfs/dbraw/zinc/37/58/16/402375816.db2.gz KQNLJIUGCYWQOS-UONOGXRCSA-N 1 0 303.406 2.199 10 0 DEAERO C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000177228785 402383250 /nfs/dbraw/zinc/38/32/50/402383250.db2.gz DCWFHFBOYQRIEU-YOEHRIQHSA-N 1 0 324.852 2.371 10 0 DEAERO C[C@@H](c1nc(-c2ccccc2)no1)N1CCO[C@]2(CCOC2)C1 ZINC000185174100 402330583 /nfs/dbraw/zinc/33/05/83/402330583.db2.gz WQYZQJQQOVCOLS-SUMWQHHRSA-N 1 0 315.373 2.289 10 0 DEAERO COc1ncc(Cl)c(N2CCc3ccccc3[C@@H]2C[NH3+])n1 ZINC000227724334 402333807 /nfs/dbraw/zinc/33/38/07/402333807.db2.gz IUFVXPGPSHEMTA-ZDUSSCGKSA-N 1 0 304.781 2.201 10 0 DEAERO [NH3+]C[C@H]1c2ccccc2CCN1c1ncncc1Br ZINC000227724325 402333902 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ZINC000177547660 402414885 /nfs/dbraw/zinc/41/48/85/402414885.db2.gz YSYYBQMSTRZZIV-UHFFFAOYSA-N 1 0 303.431 2.372 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CCN2CCC[C@H](C)C2)C12CCOCC2 ZINC000186247208 402414969 /nfs/dbraw/zinc/41/49/69/402414969.db2.gz WYGIOLCFJLXVCJ-GVDBMIGSSA-N 1 0 310.482 2.282 10 0 DEAERO CNC(=O)Cc1nc(CN(C)[C@H](C)CCSC)cs1 ZINC000177609691 402420438 /nfs/dbraw/zinc/42/04/38/402420438.db2.gz SHNORUZWFPYFAM-SNVBAGLBSA-N 1 0 301.481 2.005 10 0 DEAERO CC[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1nccs1 ZINC000162645296 402427126 /nfs/dbraw/zinc/42/71/26/402427126.db2.gz HAUIKQZQJRHSJO-STQMWFEESA-N 1 0 308.451 2.474 10 0 DEAERO O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000237964207 402428253 /nfs/dbraw/zinc/42/82/53/402428253.db2.gz RIIBCTFGNRKELP-CVEARBPZSA-N 1 0 304.438 2.263 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cnn(-c3ccccc3F)c2)C1 ZINC000238028896 402432675 /nfs/dbraw/zinc/43/26/75/402432675.db2.gz ZRYWHLDGMWXGCW-NEPJUHHUSA-N 1 0 302.353 2.467 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000177767561 402433770 /nfs/dbraw/zinc/43/37/70/402433770.db2.gz BLHQCZTXTCNYDQ-RCCFBDPRSA-N 1 0 319.493 2.338 10 0 DEAERO COc1cccc(CCC(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186488755 402435753 /nfs/dbraw/zinc/43/57/53/402435753.db2.gz LQCSUJFVQKLNFO-OAHLLOKOSA-N 1 0 302.418 2.371 10 0 DEAERO O=C(c1cc(F)cc2nc[nH]c21)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186516843 402437942 /nfs/dbraw/zinc/43/79/42/402437942.db2.gz ZJZPKKQDRXAAPU-LLVKDONJSA-N 1 0 302.353 2.059 10 0 DEAERO COc1ccc(O)cc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000186525131 402438979 /nfs/dbraw/zinc/43/89/79/402438979.db2.gz NKOCSWWRVMAYDP-AWEZNQCLSA-N 1 0 318.417 2.491 10 0 DEAERO O=C(CSCc1ccccn1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186526962 402439220 /nfs/dbraw/zinc/43/92/20/402439220.db2.gz QKADUNNPTYOHNB-ZDUSSCGKSA-N 1 0 305.447 2.058 10 0 DEAERO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[nH]1 ZINC000177951765 402446922 /nfs/dbraw/zinc/44/69/22/402446922.db2.gz DKKSUPGNBPLSIV-UHFFFAOYSA-N 1 0 312.417 2.421 10 0 DEAERO COC(=O)N[C@@H](C(=O)Nc1cc(C[NH+](C)C)ccc1C)C(C)C ZINC000177314016 402390552 /nfs/dbraw/zinc/39/05/52/402390552.db2.gz UFYKDMQPYIAMBM-OAHLLOKOSA-N 1 0 321.421 2.376 10 0 DEAERO CCOC(=O)c1cccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000237013843 402391336 /nfs/dbraw/zinc/39/13/36/402391336.db2.gz IDGMTEXZZRIXCI-CQSZACIVSA-N 1 0 302.374 2.192 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cnn(-c2ccccc2)n1 ZINC000177335381 402392570 /nfs/dbraw/zinc/39/25/70/402392570.db2.gz RLWVLLSIHGTNLC-AEFFLSMTSA-N 1 0 311.433 2.326 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)CNC(=O)CCC(C)C ZINC000237045655 402393103 /nfs/dbraw/zinc/39/31/03/402393103.db2.gz YBKFSKMWNVQTTM-UHFFFAOYSA-N 1 0 305.422 2.287 10 0 DEAERO Cc1cc(C)c(C)c(OCCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000186666301 402453119 /nfs/dbraw/zinc/45/31/19/402453119.db2.gz ZYVWSMJNBJQSPG-XJKSGUPXSA-N 1 0 304.434 2.495 10 0 DEAERO COc1cccc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000245389718 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2.004 10 0 DEAERO OCCC1(C[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000189991959 402569041 /nfs/dbraw/zinc/56/90/41/402569041.db2.gz MCOQKEALDSDZBC-UHFFFAOYSA-N 1 0 324.787 2.312 10 0 DEAERO C[C@@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)n1cnc2ccccc21 ZINC000247508840 402570215 /nfs/dbraw/zinc/57/02/15/402570215.db2.gz VRFPLHAQYKQRHR-QLFBSQMISA-N 1 0 312.417 2.292 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)Oc2ccccc2F)C1 ZINC000246177394 402515548 /nfs/dbraw/zinc/51/55/48/402515548.db2.gz LPYUAHGYJVIAEX-UONOGXRCSA-N 1 0 323.412 2.377 10 0 DEAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000170748694 402519894 /nfs/dbraw/zinc/51/98/94/402519894.db2.gz ZWZYVTQBPUDYAU-LBPRGKRZSA-N 1 0 322.844 2.373 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000246248029 402520185 /nfs/dbraw/zinc/52/01/85/402520185.db2.gz DYLSPGOHOMZXCY-BWFKNJDFSA-N 1 0 321.446 2.124 10 0 DEAERO Cc1c(C(=O)NCC[C@@H](C)[NH3+])cnn1-c1ccccc1Cl ZINC000178644826 402521212 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CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000246489978 402533354 /nfs/dbraw/zinc/53/33/54/402533354.db2.gz HBOUQSJBGGFZSY-DLBZAZTESA-N 1 0 309.450 2.436 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCCn2ccc3ccccc32)C1 ZINC000170861295 402534189 /nfs/dbraw/zinc/53/41/89/402534189.db2.gz BCDMECCIJOYUEW-MRXNPFEDSA-N 1 0 314.433 2.377 10 0 DEAERO CCc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)cnn1-c1ccccc1 ZINC000170867408 402535681 /nfs/dbraw/zinc/53/56/81/402535681.db2.gz BTHOMBKQZINGOD-HNNXBMFYSA-N 1 0 312.417 2.211 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000178765594 402536557 /nfs/dbraw/zinc/53/65/57/402536557.db2.gz DKFHETACQCXZEX-FHERZECASA-N 1 0 306.454 2.298 10 0 DEAERO CC[C@H](CC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000246662160 402540587 /nfs/dbraw/zinc/54/05/87/402540587.db2.gz HIPCGSCRUCBZRJ-IXDOHACOSA-N 1 0 318.461 2.484 10 0 DEAERO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000190137326 402578407 /nfs/dbraw/zinc/57/84/07/402578407.db2.gz FSDRDBRJVPNJMG-MRXNPFEDSA-N 1 0 312.502 2.234 10 0 DEAERO CCOC(=O)c1ccccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000179198236 402579762 /nfs/dbraw/zinc/57/97/62/402579762.db2.gz DHFBJPXAGJUYPF-UHFFFAOYSA-N 1 0 319.405 2.421 10 0 DEAERO COC[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CC1 ZINC000179207392 402580986 /nfs/dbraw/zinc/58/09/86/402580986.db2.gz USIURASNTJSNGP-ULQDDVLXSA-N 1 0 317.433 2.156 10 0 DEAERO COc1cccc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)n1 ZINC000171827054 402626615 /nfs/dbraw/zinc/62/66/15/402626615.db2.gz IUPDGGGGKNZGIT-ZDUSSCGKSA-N 1 0 302.378 2.236 10 0 DEAERO CCC(O)(CC)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248062701 402581450 /nfs/dbraw/zinc/58/14/50/402581450.db2.gz PKAUSUYETFFABR-HOTGVXAUSA-N 1 0 319.449 2.282 10 0 DEAERO CC(C)[C@H](C)C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000179317786 402584754 /nfs/dbraw/zinc/58/47/54/402584754.db2.gz CNEYDJIWHARUTB-UAGQMJEPSA-N 1 0 304.434 2.030 10 0 DEAERO CCC(=O)CC[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000190220788 402585418 /nfs/dbraw/zinc/58/54/18/402585418.db2.gz GLNWVHVGWUTPBT-OAHLLOKOSA-N 1 0 310.463 2.422 10 0 DEAERO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)COC)c(C)c2)CC1 ZINC000171429167 402586494 /nfs/dbraw/zinc/58/64/94/402586494.db2.gz MKHMNQMBCAJXBS-OAHLLOKOSA-N 1 0 319.449 2.358 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc([C@H](C)O)cc1 ZINC000171425953 402586661 /nfs/dbraw/zinc/58/66/61/402586661.db2.gz ZRGMYMQBYJOAIW-KGLIPLIRSA-N 1 0 307.438 2.269 10 0 DEAERO C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@@H]2CCCC[C@H]21 ZINC000248407696 402589792 /nfs/dbraw/zinc/58/97/92/402589792.db2.gz BSMJTDWFYXDNJU-FXUDXRNXSA-N 1 0 314.495 2.169 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000249378166 402627357 /nfs/dbraw/zinc/62/73/57/402627357.db2.gz PYQVMNQZIJGJNQ-RYUDHWBXSA-N 1 0 305.344 2.487 10 0 DEAERO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)C1CCCCC1 ZINC000248605303 402598199 /nfs/dbraw/zinc/59/81/99/402598199.db2.gz JVIKZXZZQCGMQV-QLFBSQMISA-N 1 0 311.470 2.052 10 0 DEAERO COC(=O)[C@H](c1ccccc1C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248604089 402598281 /nfs/dbraw/zinc/59/82/81/402598281.db2.gz DXUIIMQOBCAUQK-RDJZCZTQSA-N 1 0 302.418 2.379 10 0 DEAERO COC(=O)[C@H](c1ccccc1C)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000248609492 402598779 /nfs/dbraw/zinc/59/87/79/402598779.db2.gz HFUVNTKXNYIYNA-JSGCOSHPSA-N 1 0 317.307 2.208 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCn3ccnc3)C[C@@H]12 ZINC000248638088 402600661 /nfs/dbraw/zinc/60/06/61/402600661.db2.gz YNSFERASDMJBGD-RBSFLKMASA-N 1 0 320.437 2.118 10 0 DEAERO O=C(NCCSC(F)(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171642822 402605145 /nfs/dbraw/zinc/60/51/45/402605145.db2.gz XJXRYBXFXIAKMU-SNVBAGLBSA-N 1 0 311.373 2.119 10 0 DEAERO Cc1nn(C)cc1CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190489770 402605154 /nfs/dbraw/zinc/60/51/54/402605154.db2.gz JVNJNPOOUAKGIT-QGZVFWFLSA-N 1 0 313.449 2.077 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C(\C)c2ccccc2)CC1 ZINC000171653177 402606275 /nfs/dbraw/zinc/60/62/75/402606275.db2.gz CKMVSVJWMHMGGZ-LCJXNMAOSA-N 1 0 302.418 2.005 10 0 DEAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000248740213 402606724 /nfs/dbraw/zinc/60/67/24/402606724.db2.gz DESJCQLTZFTYAB-RNJOBUHISA-N 1 0 322.371 2.021 10 0 DEAERO Cc1c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cccc1N(C)C ZINC000180119656 402607818 /nfs/dbraw/zinc/60/78/18/402607818.db2.gz WPAUISQUFNNRTL-CQSZACIVSA-N 1 0 302.422 2.373 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)CC2(O)CCCC2)[C@@H]1c1ccccc1 ZINC000180136139 402608581 /nfs/dbraw/zinc/60/85/81/402608581.db2.gz HOXYCRAIWHTRLL-WBVHZDCISA-N 1 0 302.418 2.243 10 0 DEAERO C[N@@H+](C[C@H](O)CC1CCCC1)C[C@H](O)COCc1ccccc1 ZINC000190542341 402608598 /nfs/dbraw/zinc/60/85/98/402608598.db2.gz RNQVFVJLLHDTCK-MOPGFXCFSA-N 1 0 321.461 2.437 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(F)c(COC)c2)C1 ZINC000171683131 402609577 /nfs/dbraw/zinc/60/95/77/402609577.db2.gz UIOXVOSQUIKZTG-HNNXBMFYSA-N 1 0 323.412 2.256 10 0 DEAERO O[C@@H](COCc1ccccc1)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000248854058 402611292 /nfs/dbraw/zinc/61/12/92/402611292.db2.gz KHSKLOKRZZKUMN-SJLPKXTDSA-N 1 0 305.418 2.065 10 0 DEAERO O=C(NCC[NH+]1CCCC1)c1ccc(-n2cccc2)c(F)c1 ZINC000171723597 402615003 /nfs/dbraw/zinc/61/50/03/402615003.db2.gz NHAJJGSBBGLZBS-UHFFFAOYSA-N 1 0 301.365 2.442 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000180853684 402628296 /nfs/dbraw/zinc/62/82/96/402628296.db2.gz UJMQPHREENIIPO-AWEZNQCLSA-N 1 0 308.813 2.115 10 0 DEAERO CO[C@@H](C)[C@H](C)NC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000190689056 402618253 /nfs/dbraw/zinc/61/82/53/402618253.db2.gz QCSZCMXNXNNSNQ-RYUDHWBXSA-N 1 0 308.426 2.035 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccncc1OC ZINC000249093893 402619946 /nfs/dbraw/zinc/61/99/46/402619946.db2.gz DZGPLDBXLYHNLA-QWHCGFSZSA-N 1 0 308.426 2.181 10 0 DEAERO Cc1cc(C)c(N2CC[C@H]([N@@H+]3CC[C@@H]([C@@H](C)O)C3)C2=O)c(C)c1 ZINC000249101005 402620677 /nfs/dbraw/zinc/62/06/77/402620677.db2.gz PMQNNSWTJODXBR-ZACQAIPSSA-N 1 0 316.445 2.420 10 0 DEAERO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000249158646 402622451 /nfs/dbraw/zinc/62/24/51/402622451.db2.gz ZIIRZLJLUXSLFH-RTBURBONSA-N 1 0 321.461 2.437 10 0 DEAERO CC(C)OC[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180666354 402622800 /nfs/dbraw/zinc/62/28/00/402622800.db2.gz MVZYDXDTZKJNLX-PBHICJAKSA-N 1 0 303.406 2.309 10 0 DEAERO CO[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccnc2)CC[C@@H]1C ZINC000249195732 402622851 /nfs/dbraw/zinc/62/28/51/402622851.db2.gz QCIKNQVDNLBTKY-XJKSGUPXSA-N 1 0 300.406 2.339 10 0 DEAERO Cc1cccc(F)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249218326 402623582 /nfs/dbraw/zinc/62/35/82/402623582.db2.gz UAVIWJBQBKKOBK-QWHCGFSZSA-N 1 0 321.396 2.014 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc4c[nH]nc4c3)[C@@H]2C1 ZINC000180813096 402626209 /nfs/dbraw/zinc/62/62/09/402626209.db2.gz YYFIBKIEYVVQPR-OIISXLGYSA-N 1 0 301.390 2.331 10 0 DEAERO CSCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179168467 402577625 /nfs/dbraw/zinc/57/76/25/402577625.db2.gz ZGELMEPQRZBYCJ-CABCVRRESA-N 1 0 307.463 2.484 10 0 DEAERO CC(C)c1nccn1CCC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181172395 402636961 /nfs/dbraw/zinc/63/69/61/402636961.db2.gz KLLYOEMCHWSBIA-CYBMUJFWSA-N 1 0 316.409 2.269 10 0 DEAERO CC(C)COc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000172106197 402640352 /nfs/dbraw/zinc/64/03/52/402640352.db2.gz CQNMIVTYENMUKH-OAHLLOKOSA-N 1 0 318.421 2.428 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)C2CC2)CCO1 ZINC000172118649 402641461 /nfs/dbraw/zinc/64/14/61/402641461.db2.gz FHMAXBSIQQNWRW-SJORKVTESA-N 1 0 317.433 2.110 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COC2CCOCC2)cc1F ZINC000181343587 402642178 /nfs/dbraw/zinc/64/21/78/402642178.db2.gz ZJUWBXGYVHNVPA-UKRRQHHQSA-N 1 0 311.397 2.341 10 0 DEAERO CC[NH+](CC)CCN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000181338674 402642530 /nfs/dbraw/zinc/64/25/30/402642530.db2.gz DIWRECYLKAKLPL-INIZCTEOSA-N 1 0 309.498 2.299 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)N1CCC(C(C)(C)C)CC1 ZINC000172175785 402644066 /nfs/dbraw/zinc/64/40/66/402644066.db2.gz LUNUJMNLWCLLCK-UHFFFAOYSA-N 1 0 313.486 2.422 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000191140198 402644651 /nfs/dbraw/zinc/64/46/51/402644651.db2.gz DZNYVETZJSEGQG-WMLDXEAASA-N 1 0 320.433 2.058 10 0 DEAERO CC[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)[C@H](C)C(C)C ZINC000250154789 402645571 /nfs/dbraw/zinc/64/55/71/402645571.db2.gz NVJHKYIHQAFWQF-KGLIPLIRSA-N 1 0 318.417 2.010 10 0 DEAERO CC(C)[C@H](C)CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000172504806 402659320 /nfs/dbraw/zinc/65/93/20/402659320.db2.gz BKROXXNUXYGZHD-HZPDHXFCSA-N 1 0 311.470 2.032 10 0 DEAERO Cc1c(-c2cc(C[NH+]3[C@H](C)CC(O)C[C@H]3C)on2)cnn1C ZINC000191170059 402647414 /nfs/dbraw/zinc/64/74/14/402647414.db2.gz KKWNGLDFLIKSTO-GHMZBOCLSA-N 1 0 304.394 2.117 10 0 DEAERO COc1cccc(C[NH2+][C@H]2CCN(c3ccccc3OC)C2)n1 ZINC000191314571 402659877 /nfs/dbraw/zinc/65/98/77/402659877.db2.gz YMRBSUNGWCNXRH-HNNXBMFYSA-N 1 0 313.401 2.467 10 0 DEAERO COC(=O)c1cccc(OCC[N@@H+]2CC[C@H](C)[C@H](OC)C2)c1 ZINC000251896710 402650753 /nfs/dbraw/zinc/65/07/53/402650753.db2.gz QQKUEEKNYOWCFG-XJKSGUPXSA-N 1 0 307.390 2.209 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSCc1ccccn1 ZINC000252443778 402653323 /nfs/dbraw/zinc/65/33/23/402653323.db2.gz OYYNWSDIDCNWNO-HIFRSBDPSA-N 1 0 305.447 2.010 10 0 DEAERO O=C(NCCC1CCCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172445398 402656370 /nfs/dbraw/zinc/65/63/70/402656370.db2.gz QQWQJKFBAPGYIZ-UHFFFAOYSA-N 1 0 323.481 2.321 10 0 DEAERO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000182608863 402703698 /nfs/dbraw/zinc/70/36/98/402703698.db2.gz DWMHUKLSNMXXBY-STQMWFEESA-N 1 0 320.433 2.312 10 0 DEAERO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000192028957 402706846 /nfs/dbraw/zinc/70/68/46/402706846.db2.gz MQGMHTYZAKLHLI-IINVVDAPSA-N 1 0 300.402 2.033 10 0 DEAERO C[C@H]1COCC[C@@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000192126435 402713154 /nfs/dbraw/zinc/71/31/54/402713154.db2.gz NHWHSZODJPDUKB-BBRMVZONSA-N 1 0 316.401 2.077 10 0 DEAERO Cc1cc(N2CC[C@@H]([N@@H+]3CCC4(C3)CCCCC4)C2=O)n(C)n1 ZINC000173803618 402713593 /nfs/dbraw/zinc/71/35/93/402713593.db2.gz FWABWQKZPPDVAM-OAHLLOKOSA-N 1 0 316.449 2.490 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000173887059 402717643 /nfs/dbraw/zinc/71/76/43/402717643.db2.gz KEUDPLFNDSXABD-GXTWGEPZSA-N 1 0 314.426 2.141 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc2c[nH]nc2c1 ZINC000261823506 402718164 /nfs/dbraw/zinc/71/81/64/402718164.db2.gz HOMYKGBMAMUOKU-QEORTHHSSA-N 1 0 314.389 2.034 10 0 DEAERO CN(CC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172584247 402664407 /nfs/dbraw/zinc/66/44/07/402664407.db2.gz FVVYAPDMTDQMLC-GFCCVEGCSA-N 1 0 311.376 2.177 10 0 DEAERO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000182090843 402666777 /nfs/dbraw/zinc/66/67/77/402666777.db2.gz QIGLGKBVLAYLKJ-LBPRGKRZSA-N 1 0 318.446 2.035 10 0 DEAERO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000182122452 402667660 /nfs/dbraw/zinc/66/76/60/402667660.db2.gz TTWVEKLADRSIEE-GUYCJALGSA-N 1 0 306.406 2.085 10 0 DEAERO Cc1cnc(CNC(=O)c2ccccc2OCC[NH+](C)C)s1 ZINC000172718650 402671967 /nfs/dbraw/zinc/67/19/67/402671967.db2.gz SCKXEDBSJDYYCC-UHFFFAOYSA-N 1 0 319.430 2.322 10 0 DEAERO Cc1c([C@@H](C)NCc2cc(C(N)=O)co2)cnn1C(C)(C)C ZINC000191511140 402674719 /nfs/dbraw/zinc/67/47/19/402674719.db2.gz DPKAPZBMLDSJJI-SNVBAGLBSA-N 1 0 304.394 2.489 10 0 DEAERO COC(=O)c1ccccc1OCC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000182244989 402675603 /nfs/dbraw/zinc/67/56/03/402675603.db2.gz NVNQOTGANHMPLU-GDBMZVCRSA-N 1 0 319.401 2.353 10 0 DEAERO Cc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1F ZINC000173227420 402688992 /nfs/dbraw/zinc/68/89/92/402688992.db2.gz HFHLAANWTYCUFV-OAHLLOKOSA-N 1 0 303.381 2.290 10 0 DEAERO COC[C@H](C)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000173252993 402689589 /nfs/dbraw/zinc/68/95/89/402689589.db2.gz PWFHUZPQLVTIMH-AWEZNQCLSA-N 1 0 302.418 2.323 10 0 DEAERO Cc1ccc(/C=C\CC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000255637123 402693284 /nfs/dbraw/zinc/69/32/84/402693284.db2.gz HJUZFOVUOQJLRU-CHYADLBTSA-N 1 0 315.461 2.150 10 0 DEAERO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1F ZINC000261971572 402720517 /nfs/dbraw/zinc/72/05/17/402720517.db2.gz QQKSWSPFNVOLJB-USXIJHARSA-N 1 0 322.424 2.124 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)c1ccncc1 ZINC000173389916 402695480 /nfs/dbraw/zinc/69/54/80/402695480.db2.gz NVVLKUQWQCPXSN-NUEKZKHPSA-N 1 0 302.422 2.411 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(CCCc2ccccc2OC)CC1 ZINC000182512501 402696063 /nfs/dbraw/zinc/69/60/63/402696063.db2.gz BTMOVCJVVXKMHA-KRWDZBQOSA-N 1 0 306.450 2.016 10 0 DEAERO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ncccn2)CC1 ZINC000182544388 402698378 /nfs/dbraw/zinc/69/83/78/402698378.db2.gz BHWJRZUEAMIOIB-ZDUSSCGKSA-N 1 0 320.437 2.155 10 0 DEAERO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000173490789 402699997 /nfs/dbraw/zinc/69/99/97/402699997.db2.gz ADRYIRLHYNDJAT-CJNGLKHVSA-N 1 0 320.481 2.349 10 0 DEAERO CC[C@H]1CN(C(=O)c2cccc3cc[nH]c32)CC[N@@H+]1CCOC ZINC000173550062 402702670 /nfs/dbraw/zinc/70/26/70/402702670.db2.gz LFIJCEGIKHPODQ-HNNXBMFYSA-N 1 0 315.417 2.351 10 0 DEAERO C[C@H]1C[NH+](CC2CCN(C(=O)NCCC3CC3)CC2)C[C@H](C)O1 ZINC000174057341 402725470 /nfs/dbraw/zinc/72/54/70/402725470.db2.gz LCMWORUHLGZQPN-GJZGRUSLSA-N 1 0 323.481 2.317 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000174170316 402730160 /nfs/dbraw/zinc/73/01/60/402730160.db2.gz RPEWDEAGYGVQPK-OAHLLOKOSA-N 1 0 314.389 2.293 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262777405 402731081 /nfs/dbraw/zinc/73/10/81/402731081.db2.gz NWQTWKLMWYYPCW-QWRGUYRKSA-N 1 0 302.827 2.019 10 0 DEAERO CCC(CC)N1C[C@@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1=O ZINC000192528609 402734908 /nfs/dbraw/zinc/73/49/08/402734908.db2.gz CDOWFMVMFSSYBX-GJZGRUSLSA-N 1 0 323.481 2.014 10 0 DEAERO COCc1csc(NC(=O)NCCC2CC[NH+](C)CC2)n1 ZINC000174366659 402737749 /nfs/dbraw/zinc/73/77/49/402737749.db2.gz HOLZMFAFJBOMRF-UHFFFAOYSA-N 1 0 312.439 2.143 10 0 DEAERO CCCNc1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000192580467 402738048 /nfs/dbraw/zinc/73/80/48/402738048.db2.gz MKDUFHUIRKVNIN-INIZCTEOSA-N 1 0 304.438 2.354 10 0 DEAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000174369934 402738496 /nfs/dbraw/zinc/73/84/96/402738496.db2.gz BGWGHGVFLRUPOT-KRWDZBQOSA-N 1 0 316.449 2.320 10 0 DEAERO COCc1csc(NC(=O)N2CCC([NH2+]C(C)C)CC2)n1 ZINC000174411327 402739963 /nfs/dbraw/zinc/73/99/63/402739963.db2.gz UBWFFRWCBFHZQI-UHFFFAOYSA-N 1 0 312.439 2.284 10 0 DEAERO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183119209 402740509 /nfs/dbraw/zinc/74/05/09/402740509.db2.gz RQERBJKFJVHETE-CZUORRHYSA-N 1 0 308.397 2.331 10 0 DEAERO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccnn1C ZINC000192694657 402744231 /nfs/dbraw/zinc/74/42/31/402744231.db2.gz ZKINIDKMDUJKMB-OAHLLOKOSA-N 1 0 314.433 2.103 10 0 DEAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cc1OC ZINC000183181751 402745257 /nfs/dbraw/zinc/74/52/57/402745257.db2.gz UZPQTHWIZAGDSE-MBNYWOFBSA-N 1 0 322.405 2.188 10 0 DEAERO COC[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000174625905 402748844 /nfs/dbraw/zinc/74/88/44/402748844.db2.gz RWWDWHAGMJHUIG-IRXDYDNUSA-N 1 0 315.417 2.030 10 0 DEAERO COc1cccc([C@@H]2[C@@H](NC(=O)C3CC3)CC[N@@H+]2C2CC2)c1 ZINC000183240836 402749804 /nfs/dbraw/zinc/74/98/04/402749804.db2.gz SZIKXLQQNNLPPC-DLBZAZTESA-N 1 0 300.402 2.499 10 0 DEAERO O=C(NCc1ccccc1COCc1ccccc1)C1C[NH2+]C1 ZINC000263252384 402750739 /nfs/dbraw/zinc/75/07/39/402750739.db2.gz FAUQIFOUBNAXPI-UHFFFAOYSA-N 1 0 310.397 2.239 10 0 DEAERO O=c1cc(N2CCC(C[NH+]3CCCC3)CC2)nc2ccccn12 ZINC000174689039 402752448 /nfs/dbraw/zinc/75/24/48/402752448.db2.gz DKHURGCZPWRSPJ-UHFFFAOYSA-N 1 0 312.417 2.007 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2OC)[C@H](C)C1 ZINC000174776799 402757008 /nfs/dbraw/zinc/75/70/08/402757008.db2.gz PLJPXVFHZFIVPO-ZBFHGGJFSA-N 1 0 319.449 2.296 10 0 DEAERO COc1ccc(NC(=O)CCN2CCC([NH+](C)C)CC2)cc1 ZINC000174786923 402757436 /nfs/dbraw/zinc/75/74/36/402757436.db2.gz MUEDNZUKTVMMFL-UHFFFAOYSA-N 1 0 305.422 2.050 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccc(C)nc1 ZINC000174843428 402759507 /nfs/dbraw/zinc/75/95/07/402759507.db2.gz NRHNDYTXWLCQJY-DLBZAZTESA-N 1 0 316.449 2.201 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(F)cc1 ZINC000193208316 402768717 /nfs/dbraw/zinc/76/87/17/402768717.db2.gz VZJVZGVYDDRPCX-ZDUSSCGKSA-N 1 0 314.426 2.120 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000175005388 402770973 /nfs/dbraw/zinc/77/09/73/402770973.db2.gz YBCBJZKHJHVCKC-ZIAGYGMSSA-N 1 0 302.374 2.114 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cccc(OC)c1 ZINC000175044655 402774370 /nfs/dbraw/zinc/77/43/70/402774370.db2.gz NLKXJVIYVRZERF-JKSUJKDBSA-N 1 0 317.433 2.192 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccco2)o1 ZINC000175052534 402774785 /nfs/dbraw/zinc/77/47/85/402774785.db2.gz JKHUHRBJFPXMPK-QWHCGFSZSA-N 1 0 302.378 2.388 10 0 DEAERO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCCOC1 ZINC000183563397 402776368 /nfs/dbraw/zinc/77/63/68/402776368.db2.gz LTIOEUVJPIHBSC-SJLPKXTDSA-N 1 0 304.434 2.137 10 0 DEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1(C)C ZINC000183582828 402778429 /nfs/dbraw/zinc/77/84/29/402778429.db2.gz YFEJQFAXSFJLST-HUUCEWRRSA-N 1 0 305.422 2.423 10 0 DEAERO OCC1CC[NH+](Cc2ccccc2NCc2cocn2)CC1 ZINC000192324104 402723201 /nfs/dbraw/zinc/72/32/01/402723201.db2.gz GNBAFGGZRKJPPF-UHFFFAOYSA-N 1 0 301.390 2.491 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1coc(Br)c1 ZINC000262303374 402724054 /nfs/dbraw/zinc/72/40/54/402724054.db2.gz LMUANNNXWXASPD-WCBMZHEXSA-N 1 0 301.184 2.384 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(C)cc(F)c1 ZINC000175218023 402789078 /nfs/dbraw/zinc/78/90/78/402789078.db2.gz OOYDRPVTTXOIKA-GFCCVEGCSA-N 1 0 302.415 2.143 10 0 DEAERO CC[C@H](C)[C@@H](C)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183705188 402790427 /nfs/dbraw/zinc/79/04/27/402790427.db2.gz BJFQBIUYOZFVOL-BBWFWOEESA-N 1 0 309.498 2.297 10 0 DEAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1ccsc1 ZINC000175313541 402796407 /nfs/dbraw/zinc/79/64/07/402796407.db2.gz KYPRBRKSKUYTHK-OAHLLOKOSA-N 1 0 310.463 2.200 10 0 DEAERO O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194504383 402800251 /nfs/dbraw/zinc/80/02/51/402800251.db2.gz CNFRKWCVYVLXDR-UHFFFAOYSA-N 1 0 312.772 2.495 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](CCO)c1ccccc1 ZINC000183880227 402803177 /nfs/dbraw/zinc/80/31/77/402803177.db2.gz PASWQGYOYWLNRV-OAHLLOKOSA-N 1 0 313.401 2.044 10 0 DEAERO Cc1ccc(CCCCC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000194599785 402804260 /nfs/dbraw/zinc/80/42/60/402804260.db2.gz UNPIAYKVAUDDJY-QGZVFWFLSA-N 1 0 304.434 2.155 10 0 DEAERO Cc1cscc1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000175407712 402804283 /nfs/dbraw/zinc/80/42/83/402804283.db2.gz WBKYKISNHIZJCS-HNNXBMFYSA-N 1 0 321.490 2.299 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000194628027 402805826 /nfs/dbraw/zinc/80/58/26/402805826.db2.gz MVYONTVEXGPDJH-HIFRSBDPSA-N 1 0 310.463 2.311 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(N(C)C)c1 ZINC000175436376 402806306 /nfs/dbraw/zinc/80/63/06/402806306.db2.gz FHSNICOVMGATQG-DOTOQJQBSA-N 1 0 301.434 2.451 10 0 DEAERO CN(C)c1ccncc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000183957510 402808429 /nfs/dbraw/zinc/80/84/29/402808429.db2.gz TYRRXBAPGHYFOX-UHFFFAOYSA-N 1 0 316.449 2.238 10 0 DEAERO CC(C)NC(=O)Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000194692733 402811223 /nfs/dbraw/zinc/81/12/23/402811223.db2.gz KCJPILHZQHXKOE-HNNXBMFYSA-N 1 0 318.421 2.041 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000194702295 402811331 /nfs/dbraw/zinc/81/13/31/402811331.db2.gz ROSRITZBLOQOJF-UHOFOFEASA-N 1 0 315.417 2.105 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000194702989 402811680 /nfs/dbraw/zinc/81/16/80/402811680.db2.gz DHVFPVTXGRXBHX-ZDUSSCGKSA-N 1 0 302.353 2.040 10 0 DEAERO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2C)cnn1-c1ccccc1F ZINC000194709615 402811776 /nfs/dbraw/zinc/81/17/76/402811776.db2.gz BQWROYCMPYCBSB-ZDUSSCGKSA-N 1 0 316.380 2.144 10 0 DEAERO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194711968 402811962 /nfs/dbraw/zinc/81/19/62/402811962.db2.gz IOLMYQYRYIJJHC-HNNXBMFYSA-N 1 0 313.401 2.403 10 0 DEAERO CCOC[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000175514585 402813379 /nfs/dbraw/zinc/81/33/79/402813379.db2.gz IEHLYBDQIPEWBN-SJORKVTESA-N 1 0 304.434 2.044 10 0 DEAERO CC(C)[C@H](O)CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194740201 402813870 /nfs/dbraw/zinc/81/38/70/402813870.db2.gz YLGMRYGUIQJMHY-IAGOWNOFSA-N 1 0 304.434 2.032 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2nccn2CC(C)C)C1 ZINC000175556143 402817286 /nfs/dbraw/zinc/81/72/86/402817286.db2.gz RHXFBUPEARTTEC-OAHLLOKOSA-N 1 0 321.469 2.070 10 0 DEAERO COc1ccccc1CCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195043234 402827978 /nfs/dbraw/zinc/82/79/78/402827978.db2.gz AYITXHVJFRJBFM-MRXNPFEDSA-N 1 0 302.418 2.325 10 0 DEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000195195444 402835979 /nfs/dbraw/zinc/83/59/79/402835979.db2.gz VGJJLYZQHQHSJQ-HOTGVXAUSA-N 1 0 324.469 2.216 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000175855993 402838300 /nfs/dbraw/zinc/83/83/00/402838300.db2.gz NQXHYAUPZRXLRH-QGZVFWFLSA-N 1 0 311.422 2.360 10 0 DEAERO C[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)[C@@H]1c1cccc(F)c1 ZINC000175149438 402783358 /nfs/dbraw/zinc/78/33/58/402783358.db2.gz RDQBVVBVLRPGML-WBMJQRKESA-N 1 0 319.380 2.151 10 0 DEAERO CCOc1ccc(C(C)=O)cc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000175204391 402787306 /nfs/dbraw/zinc/78/73/06/402787306.db2.gz FWZCBZJZMKMGPT-KRWDZBQOSA-N 1 0 320.433 2.050 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H]1CCN(C(C)C)C1=O ZINC000175202113 402787577 /nfs/dbraw/zinc/78/75/77/402787577.db2.gz VBFPWPDXWCTSIN-LSDHHAIUSA-N 1 0 304.438 2.183 10 0 DEAERO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000195501652 402847523 /nfs/dbraw/zinc/84/75/23/402847523.db2.gz ANGDBWVBKYROJX-KBPBESRZSA-N 1 0 306.454 2.386 10 0 DEAERO CCc1nnc(CN2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000195516228 402849764 /nfs/dbraw/zinc/84/97/64/402849764.db2.gz KAWXCUDQWZILGP-CYBMUJFWSA-N 1 0 301.394 2.269 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc2nnc(C(F)F)n2n1 ZINC000271358067 402862045 /nfs/dbraw/zinc/86/20/45/402862045.db2.gz OIZPDMXPGOGVSK-GHMZBOCLSA-N 1 0 322.363 2.125 10 0 DEAERO Cc1ccc2ncnc(N3CCC([N@H+](C)CCCO)CC3)c2c1 ZINC000265169109 402897890 /nfs/dbraw/zinc/89/78/90/402897890.db2.gz AYEWZCHZWQGQQG-UHFFFAOYSA-N 1 0 314.433 2.221 10 0 DEAERO Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)ccc2n1 ZINC000265711616 402942199 /nfs/dbraw/zinc/94/21/99/402942199.db2.gz LTJWTLRBYAKTPW-LSDHHAIUSA-N 1 0 313.405 2.391 10 0 DEAERO c1cc(C[NH2+]CCCO[C@H]2CCOC2)n(-c2ccccc2)n1 ZINC000279133306 402907747 /nfs/dbraw/zinc/90/77/47/402907747.db2.gz MYKLHUQMORQUNM-KRWDZBQOSA-N 1 0 301.390 2.158 10 0 DEAERO Cc1nc(C2CC2)oc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000273583793 403017119 /nfs/dbraw/zinc/01/71/19/403017119.db2.gz FCTSRZSYQQGUAW-HNNXBMFYSA-N 1 0 309.435 2.028 10 0 DEAERO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000275500443 403103115 /nfs/dbraw/zinc/10/31/15/403103115.db2.gz JOAXVGQXOJNNGI-UNEWFSDZSA-N 1 0 304.438 2.464 10 0 DEAERO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cnc(C)cn2)C1 ZINC000331194737 403349832 /nfs/dbraw/zinc/34/98/32/403349832.db2.gz WRBOAEZMYBQAPI-GJZGRUSLSA-N 1 0 304.438 2.474 10 0 DEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cscc1Br ZINC000285852543 403395166 /nfs/dbraw/zinc/39/51/66/403395166.db2.gz IDMFDVNPMSCVSD-XVKPBYJWSA-N 1 0 303.225 2.267 10 0 DEAERO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCCNC1=O ZINC000345745653 403465724 /nfs/dbraw/zinc/46/57/24/403465724.db2.gz 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C[C@H]1CC([NH2+][C@H]2CCCN(c3ncc[nH]c3=O)C2)C[C@H](C)C1 ZINC000408394936 405196208 /nfs/dbraw/zinc/19/62/08/405196208.db2.gz LCJWCIMVQOMCRH-MCIONIFRSA-N 1 0 304.438 2.153 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2O)CCCC3)CC[N@@H+]1C ZINC000408414991 405201928 /nfs/dbraw/zinc/20/19/28/405201928.db2.gz MTBHLELBONOMSI-OCCSQVGLSA-N 1 0 302.418 2.484 10 0 DEAERO COC1([C@@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)CCOCC1 ZINC000453056030 405279901 /nfs/dbraw/zinc/27/99/01/405279901.db2.gz KNDKCQTZBBNYMX-CQSZACIVSA-N 1 0 321.417 2.174 10 0 DEAERO COC1([C@@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)CCOCC1 ZINC000453128655 405285755 /nfs/dbraw/zinc/28/57/55/405285755.db2.gz JRVAELJFCDJFJS-OAHLLOKOSA-N 1 0 324.440 2.431 10 0 DEAERO CCNC(=O)N1CC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000438825838 405255216 /nfs/dbraw/zinc/25/52/16/405255216.db2.gz KBIAJFPRXAEIKC-CYBMUJFWSA-N 1 0 313.804 2.415 10 0 DEAERO c1cc(-c2noc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)n2)co1 ZINC000420343038 405326455 /nfs/dbraw/zinc/32/64/55/405326455.db2.gz YIKYVNOUSWJUID-AWEZNQCLSA-N 1 0 302.378 2.294 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@@H](C)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000420353167 405329000 /nfs/dbraw/zinc/32/90/00/405329000.db2.gz ZZEYAWTZNGXWAC-JLZZUVOBSA-N 1 0 315.417 2.043 10 0 DEAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1 ZINC000453585514 405292542 /nfs/dbraw/zinc/29/25/42/405292542.db2.gz GQJMXTIHTIEYJT-GOSISDBHSA-N 1 0 318.417 2.400 10 0 DEAERO Cn1c(=O)ccc2ccc(NC(=O)NC(C)(C)C[NH+](C)C)cc21 ZINC000455284775 405393301 /nfs/dbraw/zinc/39/33/01/405393301.db2.gz SDNHYHQGHVDUPY-UHFFFAOYSA-N 1 0 316.405 2.000 10 0 DEAERO c1cc(CN2CCOCC2)cc(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000420928270 405407974 /nfs/dbraw/zinc/40/79/74/405407974.db2.gz CLXSVKGCOLRAOZ-UHFFFAOYSA-N 1 0 316.445 2.131 10 0 DEAERO Cc1nn(C)cc1CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000448715748 405440612 /nfs/dbraw/zinc/44/06/12/405440612.db2.gz SMAXALGRTPOHAQ-GASCZTMLSA-N 1 0 320.481 2.145 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)c1cc(SC)ccc1Cl ZINC000638586740 405558445 /nfs/dbraw/zinc/55/84/45/405558445.db2.gz WETHFNLSOVULGN-UHFFFAOYSA-N 1 0 316.854 2.370 10 0 DEAERO CCC[C@@H](O)C[NH2+]Cc1snc(OC)c1Br ZINC000638587509 405558530 /nfs/dbraw/zinc/55/85/30/405558530.db2.gz FBEFVEFNMORVQK-SSDOTTSWSA-N 1 0 309.229 2.165 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)CSc1ccccc1Cl ZINC000638587805 405559225 /nfs/dbraw/zinc/55/92/25/405559225.db2.gz GUVHIIJFJUUVMO-UHFFFAOYSA-N 1 0 316.854 2.127 10 0 DEAERO Brc1cccc(-c2noc(CCOC3C[NH2+]C3)n2)c1 ZINC000577828346 405521659 /nfs/dbraw/zinc/52/16/59/405521659.db2.gz PNDJQAHSMBUUQH-UHFFFAOYSA-N 1 0 324.178 2.030 10 0 DEAERO [NH3+]C1(CNC(=O)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000638534401 405532578 /nfs/dbraw/zinc/53/25/78/405532578.db2.gz ANPSTEUENPBGKY-UHFFFAOYSA-N 1 0 303.189 2.231 10 0 DEAERO c1ccc(COC2CC([NH2+]CCN3CCSCC3)C2)cc1 ZINC000493905048 405607735 /nfs/dbraw/zinc/60/77/35/405607735.db2.gz GKLIJVBNQXNZKK-UHFFFAOYSA-N 1 0 306.475 2.373 10 0 DEAERO CCc1noc(C)c1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458823110 405609683 /nfs/dbraw/zinc/60/96/83/405609683.db2.gz YKHIPKBSAZZZMS-CYBMUJFWSA-N 1 0 308.426 2.077 10 0 DEAERO CCc1noc(C)c1CNC(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000458822115 405609998 /nfs/dbraw/zinc/60/99/98/405609998.db2.gz XBNHYIKDHRTHCG-ZDUSSCGKSA-N 1 0 308.426 2.171 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c(C)onc1CC ZINC000458774107 405584048 /nfs/dbraw/zinc/58/40/48/405584048.db2.gz MBAYEGKOGGYHDN-ZDUSSCGKSA-N 1 0 308.426 2.219 10 0 DEAERO c1cc(C[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)sn1 ZINC000638638886 405586828 /nfs/dbraw/zinc/58/68/28/405586828.db2.gz KTCWZBMZSAUOMD-MRXNPFEDSA-N 1 0 317.458 2.176 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NC[C@H](c1ccccc1)C1CC1 ZINC000458792687 405596277 /nfs/dbraw/zinc/59/62/77/405596277.db2.gz LXFHYXFCBPMYNI-GOSISDBHSA-N 1 0 324.428 2.408 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000638757328 405652059 /nfs/dbraw/zinc/65/20/59/405652059.db2.gz LGSLNKKUAABIIS-SCTDSRPQSA-N 1 0 315.461 2.237 10 0 DEAERO COc1cc(C)c(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000449703842 405701619 /nfs/dbraw/zinc/70/16/19/405701619.db2.gz GSSGKQCHHLKWCG-OAHLLOKOSA-N 1 0 306.406 2.130 10 0 DEAERO COc1nsc(C[NH2+]CCC[C@H](C)CO)c1Br ZINC000638820311 405692708 /nfs/dbraw/zinc/69/27/08/405692708.db2.gz AWYMQYBEFJNCFZ-QMMMGPOBSA-N 1 0 323.256 2.412 10 0 DEAERO [NH3+][C@H]1CCCCCN(C(=O)c2ncccc2Br)C1 ZINC000638838097 405704719 /nfs/dbraw/zinc/70/47/19/405704719.db2.gz LZMASQZILMFKTD-JTQLQIEISA-N 1 0 312.211 2.188 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c1C ZINC000636087320 405728437 /nfs/dbraw/zinc/72/84/37/405728437.db2.gz OUQKKFDCRJPTBA-OLZOCXBDSA-N 1 0 305.422 2.293 10 0 DEAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000638888134 405742662 /nfs/dbraw/zinc/74/26/62/405742662.db2.gz MWRPIZRNCCYRKE-PWSUYJOCSA-N 1 0 311.223 2.424 10 0 DEAERO COc1ccc2cc(C[N@@H+]3CC[C@@](O)(c4cn[nH]n4)C3)ccc2c1 ZINC000583617438 405775250 /nfs/dbraw/zinc/77/52/50/405775250.db2.gz NRKHQRUJCDDCEY-SFHVURJKSA-N 1 0 324.384 2.060 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000457277204 405776107 /nfs/dbraw/zinc/77/61/07/405776107.db2.gz YEDQILPVGMUXCK-KDOFPFPSSA-N 1 0 324.465 2.441 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CC[C@H](C)O2)CC1 ZINC000459171140 405781029 /nfs/dbraw/zinc/78/10/29/405781029.db2.gz PSLWLQZMNQLALM-GOEBONIOSA-N 1 0 311.470 2.317 10 0 DEAERO CO[C@H]1CC[C@@H](NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000530409989 405797509 /nfs/dbraw/zinc/79/75/09/405797509.db2.gz AOLPPLUWKCADFP-CVEARBPZSA-N 1 0 311.470 2.316 10 0 DEAERO CC(=O)c1cccc(OCC(=O)NC2(C[NH3+])CCCCC2)c1 ZINC000639002144 405814145 /nfs/dbraw/zinc/81/41/45/405814145.db2.gz XYCHMRNFYCXBEY-UHFFFAOYSA-N 1 0 304.390 2.046 10 0 DEAERO CC(=O)N1CC[N@H+](C[C@H]2CCN(c3ccccc3)C2)C(C)(C)C1 ZINC000638927386 405763233 /nfs/dbraw/zinc/76/32/33/405763233.db2.gz UEGSSMRKNYOPCG-KRWDZBQOSA-N 1 0 315.461 2.456 10 0 DEAERO Cn1cc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2)cn1 ZINC000583616614 405775157 /nfs/dbraw/zinc/77/51/57/405775157.db2.gz SAZIAOOGTKUOPO-WMZOPIPTSA-N 1 0 323.400 2.226 10 0 DEAERO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000530867733 405874726 /nfs/dbraw/zinc/87/47/26/405874726.db2.gz KUCAECKXJFZBPP-JZXOWHBKSA-N 1 0 322.449 2.109 10 0 DEAERO CCN(Cc1cnnn1CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459397329 405886014 /nfs/dbraw/zinc/88/60/14/405886014.db2.gz HFYYMMFLVRYGRW-KRWDZBQOSA-N 1 0 313.449 2.394 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000423648102 405892120 /nfs/dbraw/zinc/89/21/20/405892120.db2.gz RHGJBLRTRDSXIG-KWQFWETISA-N 1 0 303.189 2.320 10 0 DEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCc1cccc(Br)c1 ZINC000423651958 405894798 /nfs/dbraw/zinc/89/47/98/405894798.db2.gz WOYXGAAQJYDQKK-GXFFZTMASA-N 1 0 311.223 2.330 10 0 DEAERO CC[C@@]1(O)CCN(Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC000495221555 405845314 /nfs/dbraw/zinc/84/53/14/405845314.db2.gz HGFAAGXBFRUPJD-MRXNPFEDSA-N 1 0 303.362 2.092 10 0 DEAERO Cc1cc(CCNC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)on1 ZINC000561581838 405940364 /nfs/dbraw/zinc/94/03/64/405940364.db2.gz YGTLUOTVAMBIDR-GUTXKFCHSA-N 1 0 322.453 2.191 10 0 DEAERO Cc1cc(CCNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)on1 ZINC000561581319 405940452 /nfs/dbraw/zinc/94/04/52/405940452.db2.gz OBNACMCROQCEBK-DYVFJYSZSA-N 1 0 322.453 2.335 10 0 DEAERO COCCOC[C@@H](O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000450581059 405963750 /nfs/dbraw/zinc/96/37/50/405963750.db2.gz PEDDAWSTPKVATL-KRWDZBQOSA-N 1 0 307.434 2.460 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H](OC)C2CC2)c1Br ZINC000639209070 405975400 /nfs/dbraw/zinc/97/54/00/405975400.db2.gz LTWXFZUAKJUBDI-MRVPVSSYSA-N 1 0 321.240 2.429 10 0 DEAERO CC[C@@H]1[C@@H](C(=O)NCc2cccc3c2CCOC3)CC[N@@H+]1C ZINC000634320660 406098102 /nfs/dbraw/zinc/09/81/02/406098102.db2.gz SCQCFHRNDPZNDZ-DLBZAZTESA-N 1 0 302.418 2.106 10 0 DEAERO c1ccc(C(CN2CCCOCC2)C[N@@H+]2CCCOCC2)cc1 ZINC000639466023 406100444 /nfs/dbraw/zinc/10/04/44/406100444.db2.gz RQXUGGZKFMUEDH-UHFFFAOYSA-N 1 0 318.461 2.215 10 0 DEAERO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCOCC1CCC1 ZINC000516950339 406115297 /nfs/dbraw/zinc/11/52/97/406115297.db2.gz GHVCUHUVHBEBEG-OAHLLOKOSA-N 1 0 311.470 2.223 10 0 DEAERO c1nc2n(n1)[C@@H](C[NH+]1CCC3(CC1)OCc1ccccc13)CC2 ZINC000639517365 406124983 /nfs/dbraw/zinc/12/49/83/406124983.db2.gz IFXKLMAVOAFMDZ-OAHLLOKOSA-N 1 0 310.401 2.287 10 0 DEAERO Brc1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000567871536 406151832 /nfs/dbraw/zinc/15/18/32/406151832.db2.gz PFRSHDXWAMMMQJ-AWEZNQCLSA-N 1 0 310.239 2.420 10 0 DEAERO CC(=O)c1cc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1C ZINC000634742148 406258248 /nfs/dbraw/zinc/25/82/48/406258248.db2.gz BJGSIEIYOQDKIO-HDICACEKSA-N 1 0 300.402 2.269 10 0 DEAERO C[C@@H](OCc1ccccc1)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634759592 406269831 /nfs/dbraw/zinc/26/98/31/406269831.db2.gz MEKYLLHUQHDHKD-ZBFHGGJFSA-N 1 0 304.434 2.486 10 0 DEAERO O=C(c1ccc(Br)cn1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632857205 406293820 /nfs/dbraw/zinc/29/38/20/406293820.db2.gz BLMCHHFUEDOVAH-GXFFZTMASA-N 1 0 324.222 2.058 10 0 DEAERO CC(=O)N(C)c1ccc(NC(=O)N2CCCCC[C@H]([NH3+])C2)cc1 ZINC000632909187 406315887 /nfs/dbraw/zinc/31/58/87/406315887.db2.gz JTSUMMPMFLQCAA-AWEZNQCLSA-N 1 0 318.421 2.405 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H](CO)[C@@H]2C)cc1C ZINC000488732264 406342770 /nfs/dbraw/zinc/34/27/70/406342770.db2.gz MMKDVOFCYDKEKD-YQQAZPJKSA-N 1 0 304.434 2.183 10 0 DEAERO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000488800845 406349947 /nfs/dbraw/zinc/34/99/47/406349947.db2.gz FHRZSBGEGBSFEJ-QSOKESPWSA-N 1 0 319.445 2.144 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cncnc2)[C@H]1c1cccs1 ZINC000546891186 406385418 /nfs/dbraw/zinc/38/54/18/406385418.db2.gz AJVIGKMBITYHLN-WFASDCNBSA-N 1 0 316.430 2.351 10 0 DEAERO Brc1ccc2c(c1)OCCN(CC13CC(C1)C[NH2+]3)C2 ZINC000634996521 406389857 /nfs/dbraw/zinc/38/98/57/406389857.db2.gz MKQGDFWUBSJEHY-UHFFFAOYSA-N 1 0 323.234 2.396 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000547277215 406394863 /nfs/dbraw/zinc/39/48/63/406394863.db2.gz BQBUPBQCBTXPPY-UHFFFAOYSA-N 1 0 306.435 2.405 10 0 DEAERO C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000523451757 406426194 /nfs/dbraw/zinc/42/61/94/406426194.db2.gz QOXDPXAQFVKRRH-VNQPRFMTSA-N 1 0 323.408 2.301 10 0 DEAERO COc1ccc2c(c1)[C@@H](NC(=O)N(C)CCC[NH+](C)C)CCO2 ZINC000546654647 406370244 /nfs/dbraw/zinc/37/02/44/406370244.db2.gz SXRQINNPLZHFGI-HNNXBMFYSA-N 1 0 321.421 2.112 10 0 DEAERO C[C@@H](C[NH2+][C@@H]1CCCS(=O)(=O)CC1)N(C)Cc1ccccc1 ZINC000634961496 406372474 /nfs/dbraw/zinc/37/24/74/406372474.db2.gz WITQXUQMRPVETK-DOTOQJQBSA-N 1 0 324.490 2.064 10 0 DEAERO CN(CC1CCCC1)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637963005 406499296 /nfs/dbraw/zinc/49/92/96/406499296.db2.gz JKWKXHURGMGAKZ-KRWDZBQOSA-N 1 0 303.450 2.094 10 0 DEAERO O=C(CCC1C[NH2+]C1)NCCc1ccc(Br)cc1 ZINC000637911365 406473484 /nfs/dbraw/zinc/47/34/84/406473484.db2.gz UPUCGUPKAJUIDW-UHFFFAOYSA-N 1 0 311.223 2.107 10 0 DEAERO c1c(C[N@@H+]2CC[C@H](c3ccccc3)C2)nnn1C[C@H]1CCOC1 ZINC000637914291 406474972 /nfs/dbraw/zinc/47/49/72/406474972.db2.gz XXSFTOUULDIAPR-WBVHZDCISA-N 1 0 312.417 2.304 10 0 DEAERO CN(C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000637931724 406482641 /nfs/dbraw/zinc/48/26/41/406482641.db2.gz PJAXFSQWJXYHQT-KRWDZBQOSA-N 1 0 315.392 2.248 10 0 DEAERO CCC1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000637941274 406488700 /nfs/dbraw/zinc/48/87/00/406488700.db2.gz MKRUKGLFHSABBT-QGZVFWFLSA-N 1 0 303.450 2.094 10 0 DEAERO COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000524781812 406460558 /nfs/dbraw/zinc/46/05/58/406460558.db2.gz CAGLKJFFLBLTQU-OWQGQXMQSA-N 1 0 317.433 2.119 10 0 DEAERO C[C@H](N(C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1(C)CC1 ZINC000638042283 406539690 /nfs/dbraw/zinc/53/96/90/406539690.db2.gz QFBXULHXCZBLAX-HOCLYGCPSA-N 1 0 303.450 2.093 10 0 DEAERO O=C(c1ccccc1-c1cn[nH]c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000635479867 406555630 /nfs/dbraw/zinc/55/56/30/406555630.db2.gz LOERLMIDRHMDHG-OAHLLOKOSA-N 1 0 310.401 2.387 10 0 DEAERO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638181814 406611679 /nfs/dbraw/zinc/61/16/79/406611679.db2.gz JEAVOHFTKNSGSO-MSOLQXFVSA-N 1 0 315.461 2.313 10 0 DEAERO c1csc([C@H](C[NH2+]CCC[C@H]2CCO2)N2CCOCC2)c1 ZINC000638295501 406678278 /nfs/dbraw/zinc/67/82/78/406678278.db2.gz YJZGGKYRHTUZRK-GJZGRUSLSA-N 1 0 310.463 2.280 10 0 DEAERO Cn1cc(CC[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cn1 ZINC000551899752 406647089 /nfs/dbraw/zinc/64/70/89/406647089.db2.gz XFUDAYSRKGXHTN-CQSZACIVSA-N 1 0 307.438 2.406 10 0 DEAERO COc1nsc(C[NH2+][C@H]2CCCN(C)C2)c1Br ZINC000638408269 406755125 /nfs/dbraw/zinc/75/51/25/406755125.db2.gz FWQHKROFSZMNNB-QMMMGPOBSA-N 1 0 320.256 2.098 10 0 DEAERO COC[C@]1(C(=O)N[C@@H](C)c2ccc(Cl)s2)CCC[NH2+]1 ZINC000643635659 407020013 /nfs/dbraw/zinc/02/00/13/407020013.db2.gz QBVWZYRKUCCTHL-ZANVPECISA-N 1 0 302.827 2.347 10 0 DEAERO O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NCc2cc(-c3ccco3)on2)C1 ZINC000643963455 407066400 /nfs/dbraw/zinc/06/64/00/407066400.db2.gz XLNPSFHXGZIOAT-KFWWJZLASA-N 1 0 317.389 2.012 10 0 DEAERO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261926520 287119640 /nfs/dbraw/zinc/11/96/40/287119640.db2.gz ZNKRRCWPHAZQTB-IJLUTSLNSA-N 1 0 312.360 2.318 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)n1nc(C)cc1C ZINC000253548734 287223597 /nfs/dbraw/zinc/22/35/97/287223597.db2.gz JXBGGBGRZMWOOG-ARFHVFGLSA-N 1 0 304.438 2.146 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CC(C)(C)CO)C1 ZINC000128917488 196003449 /nfs/dbraw/zinc/00/34/49/196003449.db2.gz FORGJWHSWMFQSC-ZDUSSCGKSA-N 1 0 300.443 2.242 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCc3cc(F)ccc3C2)C1 ZINC000129167298 196025772 /nfs/dbraw/zinc/02/57/72/196025772.db2.gz HJNIMCAMRLUERC-INIZCTEOSA-N 1 0 305.397 2.378 10 0 DEAERO [NH3+][C@@H](CNC(=O)c1cc(Br)cn1C1CC1)C1CC1 ZINC000129185422 196026310 /nfs/dbraw/zinc/02/63/10/196026310.db2.gz ZWVFALUIZMSBBG-NSHDSACASA-N 1 0 312.211 2.053 10 0 DEAERO COC(=O)[C@H](C)Oc1ccc(Br)c(C[C@@H](C)[NH3+])c1 ZINC000129362081 196042330 /nfs/dbraw/zinc/04/23/30/196042330.db2.gz BSJSYVKKIKMCNR-BDAKNGLRSA-N 1 0 316.195 2.279 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(OCC(=O)OC)ccc1Br ZINC000129439078 196048856 /nfs/dbraw/zinc/04/88/56/196048856.db2.gz FXJMNZWCGUXLEZ-JTQLQIEISA-N 1 0 316.195 2.281 10 0 DEAERO CC(C)C[NH2+]C[C@@H]1CC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129456361 196050471 /nfs/dbraw/zinc/05/04/71/196050471.db2.gz MXFUNYQWCDMAPW-JYJNAYRXSA-N 1 0 316.511 2.320 10 0 DEAERO C[NH2+][C@H](C)c1cccc(NC(=O)N[C@@H](C)CC[S@](C)=O)c1 ZINC000129548231 196057194 /nfs/dbraw/zinc/05/71/94/196057194.db2.gz MLKSMTCLMHBLAL-QLMNROTDSA-N 1 0 311.451 2.246 10 0 DEAERO COc1ccc(OC[C@@H]2CC[C@H](C[NH3+])O2)c(Br)c1 ZINC000129629943 196063230 /nfs/dbraw/zinc/06/32/30/196063230.db2.gz OIINYDDDXDUHAB-MNOVXSKESA-N 1 0 316.195 2.343 10 0 DEAERO COc1ccc(Oc2cc(NN)[nH+]cn2)c(Br)c1 ZINC000129684218 196067475 /nfs/dbraw/zinc/06/74/75/196067475.db2.gz IFVUTVCYDIBWOJ-UHFFFAOYSA-N 1 0 311.139 2.326 10 0 DEAERO C[C@H]([NH3+])c1cc(Br)ccc1Sc1nnnn1C ZINC000129817166 196078530 /nfs/dbraw/zinc/07/85/30/196078530.db2.gz DOSOAOSWIBDZOK-LURJTMIESA-N 1 0 314.212 2.144 10 0 DEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)c1ccc(Br)cn1 ZINC000130801048 196110885 /nfs/dbraw/zinc/11/08/85/196110885.db2.gz KGKQXKKJOZCJMS-ZDUSSCGKSA-N 1 0 309.211 2.389 10 0 DEAERO C[NH2+]Cc1ccc(CS(=O)(=O)c2ccc3c(c2)CCC3)o1 ZINC000130895348 196121172 /nfs/dbraw/zinc/12/11/72/196121172.db2.gz SRMBCTBVZMTWOZ-UHFFFAOYSA-N 1 0 305.399 2.462 10 0 DEAERO CCC[NH2+][C@@H](Cc1ncnn1C)c1ccc(Br)cn1 ZINC000130918638 196123059 /nfs/dbraw/zinc/12/30/59/196123059.db2.gz GDHDFBHNNOOLFD-LBPRGKRZSA-N 1 0 324.226 2.256 10 0 DEAERO CNc1ncc(Br)c(N[C@@H](C[NH+](C)C)C(C)C)n1 ZINC000130977560 196128397 /nfs/dbraw/zinc/12/83/97/196128397.db2.gz VXJAUJIRLRTBDU-JTQLQIEISA-N 1 0 316.247 2.279 10 0 DEAERO C(CNC1=[NH+]CC2(CCCCC2)CS1)CN1CCOCC1 ZINC000131106288 196140406 /nfs/dbraw/zinc/14/04/06/196140406.db2.gz CHVPQCWMTKKNPL-UHFFFAOYSA-N 1 0 311.495 2.352 10 0 DEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1ncns1 ZINC000131119484 196141416 /nfs/dbraw/zinc/14/14/16/196141416.db2.gz WKWRZWARAUEGST-GXFFZTMASA-N 1 0 314.480 2.043 10 0 DEAERO CCCNc1nc(Cl)nc(N[C@@H](C[NH+](C)C)C(C)C)n1 ZINC000131125714 196141914 /nfs/dbraw/zinc/14/19/14/196141914.db2.gz UCCXONQEYWLFLU-JTQLQIEISA-N 1 0 300.838 2.345 10 0 DEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)c1cccc(OC(F)F)c1 ZINC000131201630 196149327 /nfs/dbraw/zinc/14/93/27/196149327.db2.gz OKGRTZKYCVJSDF-LBPRGKRZSA-N 1 0 307.362 2.373 10 0 DEAERO CN1CCC[C@H]1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000300690694 685226606 /nfs/dbraw/zinc/22/66/06/685226606.db2.gz MSIRDNZGANVLAI-KBPBESRZSA-N 1 0 313.239 2.166 10 0 DEAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000131391749 196164198 /nfs/dbraw/zinc/16/41/98/196164198.db2.gz WNEOMPVQZGRQNB-OLZOCXBDSA-N 1 0 321.421 2.216 10 0 DEAERO C[NH2+][C@@H](c1ncccc1F)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000131547563 196178872 /nfs/dbraw/zinc/17/88/72/196178872.db2.gz GYAPQBMIGZPOMF-NTZNESFSSA-N 1 0 300.399 2.085 10 0 DEAERO C[NH2+][C@H](C)c1ccc(OCC(=O)NCC(F)(F)F)c(F)c1 ZINC000131593696 196182855 /nfs/dbraw/zinc/18/28/55/196182855.db2.gz OQEDRCDVZWIPDY-MRVPVSSYSA-N 1 0 308.275 2.163 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccc(CCC[NH3+])cc2)CC[C@@H]1C ZINC000131786286 196199385 /nfs/dbraw/zinc/19/93/85/196199385.db2.gz WDGFZSDSFROKCR-KBPBESRZSA-N 1 0 310.463 2.245 10 0 DEAERO O=C(C1CC[NH+](CCn2ccnc2)CC1)N1CCc2ccccc21 ZINC000131832302 196202838 /nfs/dbraw/zinc/20/28/38/196202838.db2.gz MLAYFBITBPYQAD-UHFFFAOYSA-N 1 0 324.428 2.184 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(OCC(=O)N[C@H](C)COC)c(Cl)c1 ZINC000132334743 196247387 /nfs/dbraw/zinc/24/73/87/196247387.db2.gz VRYBFYKHGYAQOC-MNOVXSKESA-N 1 0 314.813 2.150 10 0 DEAERO C[C@H]1CC[C@](O)(c2c(Br)cnn2CC[NH+](C)C)C1 ZINC000132360243 196249171 /nfs/dbraw/zinc/24/91/71/196249171.db2.gz ZKBOTSOLAFIEMT-GXFFZTMASA-N 1 0 316.243 2.215 10 0 DEAERO CC(C)(CNC(=O)[C@@H]1CCCc2n[nH]cc21)[NH+]1CCCCC1 ZINC000132381184 196250825 /nfs/dbraw/zinc/25/08/25/196250825.db2.gz ZRAXBDXZVJMATA-CYBMUJFWSA-N 1 0 304.438 2.210 10 0 DEAERO CS(=O)(=O)CC[C@@H]([NH3+])c1csc(-c2ccsc2)n1 ZINC000132388916 196251865 /nfs/dbraw/zinc/25/18/65/196251865.db2.gz DLCJQRORLZWBDX-SECBINFHSA-N 1 0 302.446 2.306 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2sc3cccnc3c2N)C1 ZINC000132214385 196235968 /nfs/dbraw/zinc/23/59/68/196235968.db2.gz RYFKPNMPUPBRPN-SNVBAGLBSA-N 1 0 304.419 2.093 10 0 DEAERO C[NH2+][C@H](C)c1ccc(O[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000132300957 196243002 /nfs/dbraw/zinc/24/30/02/196243002.db2.gz KFSYHOKEWNMPRC-KOLCDFICSA-N 1 0 303.811 2.186 10 0 DEAERO COC[C@H](NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc(C)o1 ZINC000132416678 196254407 /nfs/dbraw/zinc/25/44/07/196254407.db2.gz VXHCQEXAXGZWTO-QEJZJMRPSA-N 1 0 323.437 2.303 10 0 DEAERO CC(C)SCc1nc([C@@H]([NH3+])CCS(C)(=O)=O)cs1 ZINC000132441888 196256304 /nfs/dbraw/zinc/25/63/04/196256304.db2.gz VSDXJSUJTCFUFC-VIFPVBQESA-N 1 0 308.494 2.219 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H](COCc2cccc(F)c2Br)O1 ZINC000132495641 196259976 /nfs/dbraw/zinc/25/99/76/196259976.db2.gz OXTFFPOEXQSJRV-KOLCDFICSA-N 1 0 318.186 2.482 10 0 DEAERO COC[C@H](C)[C@@H]1C[NH+]=C(N)N1c1ccc(Br)cc1 ZINC000132496228 196260453 /nfs/dbraw/zinc/26/04/53/196260453.db2.gz RUOHOYZPHLSHSF-CABZTGNLSA-N 1 0 312.211 2.235 10 0 DEAERO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)c(Br)s2)C1 ZINC000132564605 196266677 /nfs/dbraw/zinc/26/66/77/196266677.db2.gz UZQVNCIQBPIPEY-MRVPVSSYSA-N 1 0 303.225 2.253 10 0 DEAERO CC[S@@](=O)CC[NH2+]CCOc1ccc(Br)cc1 ZINC000132781157 196283592 /nfs/dbraw/zinc/28/35/92/196283592.db2.gz QAXAYYFGQQFOPB-KRWDZBQOSA-N 1 0 320.252 2.186 10 0 DEAERO CC(C)n1ncc(Br)c1[C@@H](O)C1CC[NH2+]CC1 ZINC000132866052 196291821 /nfs/dbraw/zinc/29/18/21/196291821.db2.gz DOOQVMSOPIYYCY-LBPRGKRZSA-N 1 0 302.216 2.260 10 0 DEAERO CC(C)n1ncc(Br)c1[C@](O)(C[NH3+])C(C)(C)C ZINC000133147873 196316304 /nfs/dbraw/zinc/31/63/04/196316304.db2.gz CBOLJYJUHHEVCX-GFCCVEGCSA-N 1 0 304.232 2.419 10 0 DEAERO C[C@]1(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)CCCC[NH2+]1 ZINC000133243691 196324210 /nfs/dbraw/zinc/32/42/10/196324210.db2.gz OHBGXEHNIDIUDL-IJEWVQPXSA-N 1 0 312.479 2.032 10 0 DEAERO COC(=O)c1sc(N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)nc1C ZINC000133260139 196325302 /nfs/dbraw/zinc/32/53/02/196325302.db2.gz IAPFSLCJZOHUCF-CMPLNLGQSA-N 1 0 309.435 2.301 10 0 DEAERO C[C@](C[NH3+])(NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C1CC1 ZINC000133745876 196333314 /nfs/dbraw/zinc/33/33/14/196333314.db2.gz CDTJWRCXRXCBFK-MYSGNRETSA-N 1 0 314.838 2.358 10 0 DEAERO CC[N@@H+]1CC[C@H](CNc2cnn(CC(C)C)c(=O)c2Cl)C1 ZINC000133852562 196339774 /nfs/dbraw/zinc/33/97/74/196339774.db2.gz KAAKBGMFCYEKKK-GFCCVEGCSA-N 1 0 312.845 2.306 10 0 DEAERO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1[nH]c2ccccc2c1Cl ZINC000133969253 196350118 /nfs/dbraw/zinc/35/01/18/196350118.db2.gz OLMAGARKKQVDNA-SNVBAGLBSA-N 1 0 312.822 2.488 10 0 DEAERO O=S1(=O)CCC[C@@H]1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000134008376 196352979 /nfs/dbraw/zinc/35/29/79/196352979.db2.gz SERQVQJYLBLCDU-UONOGXRCSA-N 1 0 301.452 2.035 10 0 DEAERO CC[S@](=O)CCn1c2c(nc1C1CCCCC1)C[NH2+]CC2 ZINC000134228641 196371876 /nfs/dbraw/zinc/37/18/76/196371876.db2.gz IQZSKGCQCKKJBF-OAQYLSRUSA-N 1 0 309.479 2.345 10 0 DEAERO CCC[C@H](C(=O)Nc1n[nH]c(-c2ccc(C)cc2)n1)[NH+](C)C ZINC000134276262 196375563 /nfs/dbraw/zinc/37/55/63/196375563.db2.gz KREMYWBSMIHOAM-CYBMUJFWSA-N 1 0 301.394 2.449 10 0 DEAERO COCC(C)(C)[NH2+]C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000134310875 196378753 /nfs/dbraw/zinc/37/87/53/196378753.db2.gz PUJBBPJXDAWAJE-LBPRGKRZSA-N 1 0 301.814 2.403 10 0 DEAERO C[C@@](C[NH3+])(Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000134476057 196394798 /nfs/dbraw/zinc/39/47/98/196394798.db2.gz OUFIMFPEISHFBJ-INIZCTEOSA-N 1 0 304.415 2.376 10 0 DEAERO CCC[NH2+][C@H](CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000134585854 196403532 /nfs/dbraw/zinc/40/35/32/196403532.db2.gz QHDPTODCCAOPMC-TZMCWYRMSA-N 1 0 301.477 2.484 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@@H]1OCCc2ccccc21 ZINC000137312272 196571980 /nfs/dbraw/zinc/57/19/80/196571980.db2.gz VVFCKVOLCDFQPK-JKSUJKDBSA-N 1 0 311.447 2.103 10 0 DEAERO Cc1cc2c(ncnc2N2CC[NH+](CCCCCO)CC2)s1 ZINC000189518830 225055288 /nfs/dbraw/zinc/05/52/88/225055288.db2.gz FWMFHKFECRUCPD-UHFFFAOYSA-N 1 0 320.462 2.284 10 0 DEAERO C[C@H](O)C[N@H+](Cc1ccc(Br)c(F)c1)[C@@H](C)CO ZINC000190857633 225097517 /nfs/dbraw/zinc/09/75/17/225097517.db2.gz JWFAHGHUKVHWBO-UWVGGRQHSA-N 1 0 320.202 2.152 10 0 DEAERO CC[C@H](C)CS(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000247516103 287551847 /nfs/dbraw/zinc/55/18/47/287551847.db2.gz WGVOFXCCBUZTKS-LSDHHAIUSA-N 1 0 302.484 2.313 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000358489141 424823089 /nfs/dbraw/zinc/82/30/89/424823089.db2.gz YFPVEZNHNLTAJX-UHFFFAOYSA-N 1 0 319.453 2.703 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)NCCc1ccccn1)c1ccccc1 ZINC000047634245 424827273 /nfs/dbraw/zinc/82/72/73/424827273.db2.gz WZEJONDDNBOTKO-KRWDZBQOSA-N 1 0 312.417 2.226 10 0 DEAERO O=C(NCC[NH+]1CCCC1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000055036189 424838238 /nfs/dbraw/zinc/83/82/38/424838238.db2.gz BPHIGZGLHKGXLF-SJORKVTESA-N 1 0 302.418 2.366 10 0 DEAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1coc(Br)c1 ZINC000061573537 424841282 /nfs/dbraw/zinc/84/12/82/424841282.db2.gz ABBCVZSEQDKSHD-QWRGUYRKSA-N 1 0 313.195 2.399 10 0 DEAERO CCOCCCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000194363965 424876093 /nfs/dbraw/zinc/87/60/93/424876093.db2.gz IZCXXRJQBMKWMU-MRXNPFEDSA-N 1 0 307.438 2.405 10 0 DEAERO Cn1c(CN2CC[NH+](CC3CCCCC3)CC2)nnc1C1CC1 ZINC000195114339 424880362 /nfs/dbraw/zinc/88/03/62/424880362.db2.gz MQCXPWJPDPAYMT-UHFFFAOYSA-N 1 0 317.481 2.390 10 0 DEAERO C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000216444945 424884840 /nfs/dbraw/zinc/88/48/40/424884840.db2.gz IHTWNJJEHMHAGE-IRUJWGPZSA-N 1 0 300.196 2.187 10 0 DEAERO CC[C@H]1CN(CC(=O)N(CC)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000390767109 424917912 /nfs/dbraw/zinc/91/79/12/424917912.db2.gz RTIJTUUTSNZFLV-DLBZAZTESA-N 1 0 303.450 2.094 10 0 DEAERO Cc1cc(NC(=O)N[C@H]2CCCC[NH2+]C2)nn1C1CCCCC1 ZINC000333375440 424921299 /nfs/dbraw/zinc/92/12/99/424921299.db2.gz VPZCLWNBPHGEJP-AWEZNQCLSA-N 1 0 319.453 2.960 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000398079681 424922094 /nfs/dbraw/zinc/92/20/94/424922094.db2.gz RFEWAAQCQOLLPF-MOPGFXCFSA-N 1 0 320.477 2.417 10 0 DEAERO [NH3+]CC1(CCNC(=O)c2ccc(Br)c(O)c2)CC1 ZINC000404690992 424927651 /nfs/dbraw/zinc/92/76/51/424927651.db2.gz PLHOMKDUXIFNCC-UHFFFAOYSA-N 1 0 313.195 2.014 10 0 DEAERO CC(C)[N@H+](C)CCCNC(=O)c1nscc1Br ZINC000404837704 424930046 /nfs/dbraw/zinc/93/00/46/424930046.db2.gz ASAMYDFKFXGERE-UHFFFAOYSA-N 1 0 320.256 2.366 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2nscc2Br)C1 ZINC000404801443 424930112 /nfs/dbraw/zinc/93/01/12/424930112.db2.gz KWUXFVWFFXYICL-QMMMGPOBSA-N 1 0 318.240 2.072 10 0 DEAERO Cc1occc1-c1cc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)no1 ZINC000415612657 424952320 /nfs/dbraw/zinc/95/23/20/424952320.db2.gz PAXAALVUDPUDDE-HNNXBMFYSA-N 1 0 306.366 2.738 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2cccc(F)c2Br)CC1=O ZINC000657695225 425386929 /nfs/dbraw/zinc/38/69/29/425386929.db2.gz JRTKVUHCVTXAEG-VIFPVBQESA-N 1 0 315.186 2.156 10 0 DEAERO CCN(CCC(F)(F)F)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653082914 425398004 /nfs/dbraw/zinc/39/80/04/425398004.db2.gz IVHIMFCGMYWPFQ-HTQZYQBOSA-N 1 0 306.250 2.185 10 0 DEAERO CC(C)(C)C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000176340933 267533349 /nfs/dbraw/zinc/53/33/49/267533349.db2.gz VLYJGFAXZWCXGA-CQSZACIVSA-N 1 0 316.511 2.416 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000193246582 267755283 /nfs/dbraw/zinc/75/52/83/267755283.db2.gz CHWUVTBOXYYASR-DGCLKSJQSA-N 1 0 310.369 2.449 10 0 DEAERO COc1ccc(C)nc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333212243 268906030 /nfs/dbraw/zinc/90/60/30/268906030.db2.gz ZVQXZFOQPWWWSM-INIZCTEOSA-N 1 0 304.394 2.006 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)c2ccccc21 ZINC000333454508 268948644 /nfs/dbraw/zinc/94/86/44/268948644.db2.gz YAWPGRLLVHBUCB-CZUORRHYSA-N 1 0 315.417 2.009 10 0 DEAERO O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000333647590 268970145 /nfs/dbraw/zinc/97/01/45/268970145.db2.gz VHQABDAVORRQQU-ILXRZTDVSA-N 1 0 323.824 2.221 10 0 DEAERO CC1(C)CN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@H]1c1ccncc1 ZINC000333735458 268984935 /nfs/dbraw/zinc/98/49/35/268984935.db2.gz WVHQWLGDCRTJPQ-GJZGRUSLSA-N 1 0 302.422 2.316 10 0 DEAERO COc1cc(OC)c(NC(=O)N2CCC3(CC[NH2+]3)CC2)cc1F ZINC000333888076 269000531 /nfs/dbraw/zinc/00/05/31/269000531.db2.gz XNZRBJXPWHJVOS-UHFFFAOYSA-N 1 0 323.368 2.203 10 0 DEAERO C[C@@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1cccnc1 ZINC000333929547 269005100 /nfs/dbraw/zinc/00/51/00/269005100.db2.gz YLDZFPYXBDOVGY-CZUORRHYSA-N 1 0 302.422 2.316 10 0 DEAERO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1csnn1 ZINC000334109801 269019675 /nfs/dbraw/zinc/01/96/75/269019675.db2.gz ATLKICQDBHBDMS-CHWSQXEVSA-N 1 0 323.466 2.259 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)C1 ZINC000334110195 269019784 /nfs/dbraw/zinc/01/97/84/269019784.db2.gz BDAOKGJBHDMDPI-CHWSQXEVSA-N 1 0 321.425 2.134 10 0 DEAERO Cc1ncc(CN(C)C(=O)NCC[N@H+]2CC=C(C)CC2)s1 ZINC000358192579 269041312 /nfs/dbraw/zinc/04/13/12/269041312.db2.gz QEEUAWVKEOCSGY-UHFFFAOYSA-N 1 0 308.451 2.245 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)s2)C[C@@]1(C)C[NH3+] ZINC000394140663 269100439 /nfs/dbraw/zinc/10/04/39/269100439.db2.gz KGBNHSJNCSWFCV-LDYMZIIASA-N 1 0 308.856 2.007 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000396672434 269103518 /nfs/dbraw/zinc/10/35/18/269103518.db2.gz ZNLFMWSDVKCPOO-GZMMTYOYSA-N 1 0 315.211 2.373 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397276968 269105328 /nfs/dbraw/zinc/10/53/28/269105328.db2.gz POQSTMFDXVPROP-RTXFEEFZSA-N 1 0 314.426 2.128 10 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ZINC000091075150 276093186 /nfs/dbraw/zinc/09/31/86/276093186.db2.gz ZMYUMFWDCYKMRF-UHFFFAOYSA-N 1 0 316.453 2.254 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000175118776 276112402 /nfs/dbraw/zinc/11/24/02/276112402.db2.gz ABPAOMKWSFQASF-ZDUSSCGKSA-N 1 0 320.437 2.367 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)cc(C)c1 ZINC000176900693 276179725 /nfs/dbraw/zinc/17/97/25/276179725.db2.gz ILPHAHKBIYNNPK-INIZCTEOSA-N 1 0 317.433 2.185 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1OC ZINC000177697260 276182888 /nfs/dbraw/zinc/18/28/88/276182888.db2.gz JEUWVYXOLHFYKZ-AWEZNQCLSA-N 1 0 305.422 2.050 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2OCCc3ccccc32)[C@H](C)C1 ZINC000246248506 276223775 /nfs/dbraw/zinc/22/37/75/276223775.db2.gz IWSOJMITDXESLD-FHLIZLRMSA-N 1 0 316.445 2.489 10 0 DEAERO CCCC[C@H](COC)[NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000180571197 276243206 /nfs/dbraw/zinc/24/32/06/276243206.db2.gz CKTUSESZYHWELL-CABCVRRESA-N 1 0 321.469 2.282 10 0 DEAERO CCO[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1OC)CC2 ZINC000096063078 276339837 /nfs/dbraw/zinc/33/98/37/276339837.db2.gz OPQRTQHMSSHMJL-HNNXBMFYSA-N 1 0 306.406 2.250 10 0 DEAERO CC[C@H](C)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000262775017 276623075 /nfs/dbraw/zinc/62/30/75/276623075.db2.gz NFBYQTWTXFCZMV-ZENOOKHLSA-N 1 0 310.463 2.476 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3COc4ccccc43)CC[C@@H]21 ZINC000246835497 277066837 /nfs/dbraw/zinc/06/68/37/277066837.db2.gz KHJUYMLYQPQAEL-KBMXLJTQSA-N 1 0 315.417 2.246 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000246277817 277223340 /nfs/dbraw/zinc/22/33/40/277223340.db2.gz WNUXLICGJAWUCJ-XUWVNRHRSA-N 1 0 311.470 2.221 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000408320361 277280706 /nfs/dbraw/zinc/28/07/06/277280706.db2.gz KZCFXWHMMSLQOO-GHMZBOCLSA-N 1 0 308.451 2.192 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)cc2nccnc21 ZINC000194920063 277436687 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C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N1CCCCCC1 ZINC000328844985 278280722 /nfs/dbraw/zinc/28/07/22/278280722.db2.gz RJVKKTPDCSNLNX-DUVNUKRYSA-N 1 0 307.438 2.265 10 0 DEAERO C[C@@H](CO)N(C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119619901 278288242 /nfs/dbraw/zinc/28/82/42/278288242.db2.gz LLCUJBTUUREBKI-YJBOKZPZSA-N 1 0 319.449 2.063 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)C2CCCCC2)C[C@H]1C ZINC000248605296 278291736 /nfs/dbraw/zinc/29/17/36/278291736.db2.gz JVIKZXZZQCGMQV-ILXRZTDVSA-N 1 0 311.470 2.052 10 0 DEAERO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114495735 278363784 /nfs/dbraw/zinc/36/37/84/278363784.db2.gz BNJGHJAALHGTPK-QGZVFWFLSA-N 1 0 307.438 2.433 10 0 DEAERO C[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)[C@@H](C[NH3+])C1 ZINC000235631171 278369119 /nfs/dbraw/zinc/36/91/19/278369119.db2.gz PXJBVPYSLSXULS-GXSJLCMTSA-N 1 0 320.817 2.227 10 0 DEAERO CC(C)CC(=O)NCCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000154928524 278717247 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C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125284845 279213512 /nfs/dbraw/zinc/21/35/12/279213512.db2.gz PBSLYCBHDSUFKO-QBPKDAKJSA-N 1 0 307.482 2.335 10 0 DEAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000360122750 279363265 /nfs/dbraw/zinc/36/32/65/279363265.db2.gz FOPBBYWURYORLO-GDBMZVCRSA-N 1 0 321.469 2.385 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2ccc3c(c2O)OC(C)(C)C3)CC[N@@H+]1C ZINC000408410589 280007505 /nfs/dbraw/zinc/00/75/05/280007505.db2.gz VCFIFIAMXSZUQM-WCQYABFASA-N 1 0 318.417 2.318 10 0 DEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000282480406 280040185 /nfs/dbraw/zinc/04/01/85/280040185.db2.gz VHRXSVSMGZTDGJ-PELKAZGASA-N 1 0 315.186 2.345 10 0 DEAERO CC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1OC ZINC000153211836 280185230 /nfs/dbraw/zinc/18/52/30/280185230.db2.gz XAZVDWFIQSWMGG-CQSZACIVSA-N 1 0 306.406 2.018 10 0 DEAERO Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261974402 281249666 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C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)CCC(C)(C)C)C[C@H]1C ZINC000248586121 290097709 /nfs/dbraw/zinc/09/77/09/290097709.db2.gz GDPCXZDYKYNXGK-ZNMIVQPWSA-N 1 0 313.486 2.298 10 0 DEAERO CO[C@@]1(C)C[C@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)C1(C)C ZINC000358648993 294156313 /nfs/dbraw/zinc/15/63/13/294156313.db2.gz MWUPUUGNQDYMDG-YJBOKZPZSA-N 1 0 323.481 2.483 10 0 DEAERO COc1cccc([C@H]2[C@H](NC(=O)CSC)CC[N@@H+]2C2CC2)c1 ZINC000183250655 295330831 /nfs/dbraw/zinc/33/08/31/295330831.db2.gz XEEGNHVPJHJBKB-WBVHZDCISA-N 1 0 320.458 2.452 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC(C)(C)C1 ZINC000329037568 297286027 /nfs/dbraw/zinc/28/60/27/297286027.db2.gz RRTANFMILPGDKU-VMUDFCTBSA-N 1 0 318.465 2.496 10 0 DEAERO C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328622950 533694528 /nfs/dbraw/zinc/69/45/28/533694528.db2.gz BPSOHQKWMUAPHN-SZMVWBNQSA-N 1 0 313.449 2.339 10 0 DEAERO C[C@H](C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)[NH+]1CCCCCC1 ZINC000246854937 298088138 /nfs/dbraw/zinc/08/81/38/298088138.db2.gz CFPCVABGLLAIHU-SOLBZPMBSA-N 1 0 308.466 2.405 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000119533232 301245798 /nfs/dbraw/zinc/24/57/98/301245798.db2.gz NQNMNQKIZSFKTH-JKSUJKDBSA-N 1 0 306.454 2.298 10 0 DEAERO Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCc2ncnn2C1 ZINC000182131676 303132885 /nfs/dbraw/zinc/13/28/85/303132885.db2.gz VTLSJDZYSYFNEG-JSGCOSHPSA-N 1 0 302.353 2.236 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@@H]3c3ccccc3)C[C@H]12 ZINC000248697951 303471898 /nfs/dbraw/zinc/47/18/98/303471898.db2.gz ZDGOQVJNXJLJQI-UYTYNIKBSA-N 1 0 314.429 2.350 10 0 DEAERO c1cnc(-c2ccnc(NCC3CC[NH+](C4CC4)CC3)n2)cn1 ZINC000576226236 326278269 /nfs/dbraw/zinc/27/82/69/326278269.db2.gz CULZJMYWSAMBND-UHFFFAOYSA-N 1 0 310.405 2.220 10 0 DEAERO C[C@]1(C(N)=O)CCCCN1CC(=O)NCCCC1CCCCC1 ZINC000185936859 332260372 /nfs/dbraw/zinc/26/03/72/332260372.db2.gz ZMBNTFRPEQFZEO-GOSISDBHSA-N 1 0 323.481 2.193 10 0 DEAERO C[C@H](CCCC[NH3+])Nc1ncc(I)cn1 ZINC000389605876 336875046 /nfs/dbraw/zinc/87/50/46/336875046.db2.gz CASHHBZTXWRUJA-MRVPVSSYSA-N 1 0 320.178 2.011 10 0 DEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccsc1Br ZINC000392998026 337082257 /nfs/dbraw/zinc/08/22/57/337082257.db2.gz QLNVRHHJDOURDR-IONNQARKSA-N 1 0 303.225 2.267 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)Nc2cccc3c2CCO3)CC1 ZINC000583181319 337259404 /nfs/dbraw/zinc/25/94/04/337259404.db2.gz BWMJQVRAQDCYBB-UHFFFAOYSA-N 1 0 301.390 2.395 10 0 DEAERO C[C@H]1CC([NH2+]Cc2c(Br)cnn2C)C[C@H](C)O1 ZINC000584565226 337361918 /nfs/dbraw/zinc/36/19/18/337361918.db2.gz FTCCFMNNFKPCRX-IUCAKERBSA-N 1 0 302.216 2.228 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000584604958 337371498 /nfs/dbraw/zinc/37/14/98/337371498.db2.gz AFJWHEDNSWBCOI-AVGNSLFASA-N 1 0 300.443 2.232 10 0 DEAERO Cc1ccc(C2(O)CC[NH+](Cc3ccccc3)CC2)c(CO)n1 ZINC000584629609 337376594 /nfs/dbraw/zinc/37/65/94/337376594.db2.gz MJPKNOUXYDQAEJ-UHFFFAOYSA-N 1 0 312.413 2.366 10 0 DEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)CC1 ZINC000577822060 341939962 /nfs/dbraw/zinc/93/99/62/341939962.db2.gz GDVIWMLBCFVXFF-ZDUSSCGKSA-N 1 0 313.401 2.497 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246173706 519522307 /nfs/dbraw/zinc/52/23/07/519522307.db2.gz GIFGDSNGSOYUPV-HUUCEWRRSA-N 1 0 321.469 2.021 10 0 DEAERO CC(=O)Nc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1F ZINC000247381407 519703608 /nfs/dbraw/zinc/70/36/08/519703608.db2.gz PTCVXUHACYXVSP-MEDUHNTESA-N 1 0 321.396 2.243 10 0 DEAERO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000249596476 519847951 /nfs/dbraw/zinc/84/79/51/519847951.db2.gz WZNVDNAYTPCQEH-INMHGKMJSA-N 1 0 307.434 2.252 10 0 DEAERO CCC[C@@H](C(=O)N1CCN([C@H](C)c2cccnc2)CC1)[NH+](C)C ZINC000162156660 520583391 /nfs/dbraw/zinc/58/33/91/520583391.db2.gz UCITVWDUHGQWDL-WBVHZDCISA-N 1 0 318.465 2.017 10 0 DEAERO CCC[C@H](C(=O)Nc1cccc(-c2nnnn2CC)c1)[NH+](C)C ZINC000162228582 520989385 /nfs/dbraw/zinc/98/93/85/520989385.db2.gz QSTSULQWYTXDLX-CQSZACIVSA-N 1 0 316.409 2.029 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)Cc2c(C)noc2C)C1 ZINC000247453220 521620963 /nfs/dbraw/zinc/62/09/63/521620963.db2.gz ZNJKXQOPSYAUFR-BXUZGUMPSA-N 1 0 308.426 2.006 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc([C@H](C)OC)nc1C ZINC000246537267 521639737 /nfs/dbraw/zinc/63/97/37/521639737.db2.gz XJWCPGGAOLLQED-NWDGAFQWSA-N 1 0 311.451 2.373 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn(CCC(C)C)nn2)[C@@H](C)C1 ZINC000247484480 521718746 /nfs/dbraw/zinc/71/87/46/521718746.db2.gz TUYXTGATMSWZLO-HOCLYGCPSA-N 1 0 321.469 2.127 10 0 DEAERO CC[C@H]1CN([C@@H](C)c2nc(C(C)C)no2)CC[N@@H+]1CCOC ZINC000105836866 523303479 /nfs/dbraw/zinc/30/34/79/523303479.db2.gz PNNYWVBUIJWMPN-KBPBESRZSA-N 1 0 310.442 2.297 10 0 DEAERO COCC[N@H+](CCO)CCOc1c(Cl)cccc1Cl ZINC000104958482 523706342 /nfs/dbraw/zinc/70/63/42/523706342.db2.gz NDDGAGMQVWKYOU-UHFFFAOYSA-N 1 0 308.205 2.313 10 0 DEAERO CN1CCC2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)C1=O ZINC000366033137 523787263 /nfs/dbraw/zinc/78/72/63/523787263.db2.gz YEPJMLPIUJUHQX-UHFFFAOYSA-N 1 0 314.389 2.114 10 0 DEAERO COCCOc1ccccc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128506161 524058213 /nfs/dbraw/zinc/05/82/13/524058213.db2.gz RJBGJGMRGOCDCK-HNNXBMFYSA-N 1 0 315.417 2.435 10 0 DEAERO C[C@H](CO)[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000246768358 524572323 /nfs/dbraw/zinc/57/23/23/524572323.db2.gz QIYXQVIAAFWVBJ-VYDXJSESSA-N 1 0 304.434 2.032 10 0 DEAERO CC(=O)N1CC[C@@H](C[N@H+](C)CCCC(=O)c2ccccc2)C1 ZINC000450623211 534806844 /nfs/dbraw/zinc/80/68/44/534806844.db2.gz PRSKHIJAKWFKOC-INIZCTEOSA-N 1 0 302.418 2.450 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000249202732 524932508 /nfs/dbraw/zinc/93/25/08/524932508.db2.gz UJNKAELITDNNTH-UKRRQHHQSA-N 1 0 320.437 2.133 10 0 DEAERO Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C(N)=O ZINC000246850261 525113287 /nfs/dbraw/zinc/11/32/87/525113287.db2.gz RBUDKKAWKAWIBL-GXTWGEPZSA-N 1 0 318.421 2.040 10 0 DEAERO Cc1ccccc1OCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105170161 525300223 /nfs/dbraw/zinc/30/02/23/525300223.db2.gz UJXIRSOEAIGKDF-INIZCTEOSA-N 1 0 317.433 2.254 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000246204309 525305747 /nfs/dbraw/zinc/30/57/47/525305747.db2.gz FFZLAOZEJUSHMT-XTBFLFJDSA-N 1 0 315.417 2.138 10 0 DEAERO Cc1ccc(OCCN(C)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000105266431 525415204 /nfs/dbraw/zinc/41/52/04/525415204.db2.gz GBRBTPVAZYCLSW-OAHLLOKOSA-N 1 0 319.449 2.498 10 0 DEAERO C[C@H]([NH2+][C@H]1CCNC1=O)c1ccc(F)c(Br)c1 ZINC000339472481 525620195 /nfs/dbraw/zinc/62/01/95/525620195.db2.gz OGSSGOHZCMQUHG-CPCISQLKSA-N 1 0 301.159 2.127 10 0 DEAERO COc1cccc(SCC(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000237299942 526244808 /nfs/dbraw/zinc/24/48/08/526244808.db2.gz PDBGPVVDZVKGJI-ZDUSSCGKSA-N 1 0 308.447 2.293 10 0 DEAERO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000237874957 526374207 /nfs/dbraw/zinc/37/42/07/526374207.db2.gz BUIVPBIQSADSIL-YPAMNDHTSA-N 1 0 302.422 2.384 10 0 DEAERO O=C(NCc1cccnc1OC1CCCC1)C1CC[NH2+]CC1 ZINC000238041306 526772105 /nfs/dbraw/zinc/77/21/05/526772105.db2.gz PEIKSFUNKAJNPM-UHFFFAOYSA-N 1 0 303.406 2.019 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000330818212 527137825 /nfs/dbraw/zinc/13/78/25/527137825.db2.gz CVJBXGQISMUPCI-YOEHRIQHSA-N 1 0 307.365 2.060 10 0 DEAERO CC(=O)[C@](C)(O)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000411129552 527151834 /nfs/dbraw/zinc/15/18/34/527151834.db2.gz HBIJUMFHUGLKPT-QGZVFWFLSA-N 1 0 324.852 2.188 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000299378131 527158470 /nfs/dbraw/zinc/15/84/70/527158470.db2.gz SKSSJMTXRJXFNH-NHYWBVRUSA-N 1 0 319.449 2.431 10 0 DEAERO CC(=O)c1cc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1F ZINC000415715938 527212811 /nfs/dbraw/zinc/21/28/11/527212811.db2.gz BMJKXAFBPVEPIT-CYBMUJFWSA-N 1 0 305.353 2.387 10 0 DEAERO [NH3+][C@H]1CCC[C@H](C(=O)NCc2cccc(Cn3cccn3)c2)C1 ZINC000238044979 527406077 /nfs/dbraw/zinc/40/60/77/527406077.db2.gz DQFTUFNFPNJAAX-IRXDYDNUSA-N 1 0 312.417 2.065 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CCn2c3ccccc3oc2=O)C[C@H]1C ZINC000252506373 527831999 /nfs/dbraw/zinc/83/19/99/527831999.db2.gz RIHXBKJHUAAUOO-CABCVRRESA-N 1 0 317.433 2.399 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cc1 ZINC000362093985 536525749 /nfs/dbraw/zinc/52/57/49/536525749.db2.gz GOCJKDGBHUGUKY-SCLBCKFNSA-N 1 0 323.433 2.309 10 0 DEAERO CCN(Cc1cccc(F)c1)C(=O)C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191144389 528808307 /nfs/dbraw/zinc/80/83/07/528808307.db2.gz YIGMUOQCMLIZFU-ZIAGYGMSSA-N 1 0 322.424 2.408 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000261782126 534930077 /nfs/dbraw/zinc/93/00/77/534930077.db2.gz KGEFZPSYBJIKDP-ZDUSSCGKSA-N 1 0 320.437 2.418 10 0 DEAERO CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247074689 535063911 /nfs/dbraw/zinc/06/39/11/535063911.db2.gz OUMOOTPGTFSMHG-ZBFHGGJFSA-N 1 0 306.454 2.351 10 0 DEAERO CC(C)[C@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000262245628 535103745 /nfs/dbraw/zinc/10/37/45/535103745.db2.gz RZYKKTINBMBQPT-PXAZEXFGSA-N 1 0 318.417 2.127 10 0 DEAERO CC(C)(C)c1ccc2c(c1)CCN2C(=O)C1([NH3+])CCOCC1 ZINC000261863967 535122868 /nfs/dbraw/zinc/12/28/68/535122868.db2.gz NKKOFDNGRUKHDG-UHFFFAOYSA-N 1 0 302.418 2.381 10 0 DEAERO CC(C)N1CCC[C@H]([N@@H+]2CC[C@@H](CNc3ccccn3)C2)C1=O ZINC000248358600 535178009 /nfs/dbraw/zinc/17/80/09/535178009.db2.gz QYUYOEQUDYMLHW-HOTGVXAUSA-N 1 0 316.449 2.215 10 0 DEAERO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000449786170 535226337 /nfs/dbraw/zinc/22/63/37/535226337.db2.gz LULASRCSKPQMOQ-OAHLLOKOSA-N 1 0 310.463 2.005 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCc3ccccc3C2)CC1 ZINC000358674318 535244422 /nfs/dbraw/zinc/24/44/22/535244422.db2.gz YWFNZMAMTCOGSV-GOSISDBHSA-N 1 0 313.445 2.495 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248165295 535299036 /nfs/dbraw/zinc/29/90/36/535299036.db2.gz SVAHJVSUSDXUHU-DOTOQJQBSA-N 1 0 311.470 2.055 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)c2cn3ccnc3s2)CC1 ZINC000188403385 535352779 /nfs/dbraw/zinc/35/27/79/535352779.db2.gz PVLFKNGXTOUGJH-UHFFFAOYSA-N 1 0 306.435 2.248 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000371774652 535449048 /nfs/dbraw/zinc/44/90/48/535449048.db2.gz RQKYQBFMKOQEFE-SJLPKXTDSA-N 1 0 323.481 2.365 10 0 DEAERO CCO[C@@H]1C[C@](O)(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1(C)C ZINC000249045214 535544198 /nfs/dbraw/zinc/54/41/98/535544198.db2.gz HGQYRSLPBSZGAM-AIANZEFSSA-N 1 0 309.450 2.100 10 0 DEAERO CC[C@@H](C)[NH+]1CCN(c2nnc(CCc3ccco3)n2C)CC1 ZINC000453447957 535567509 /nfs/dbraw/zinc/56/75/09/535567509.db2.gz MOQZOLOMOBUJDY-CQSZACIVSA-N 1 0 317.437 2.114 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@H](C)CO)c1ccccc1 ZINC000246958488 535671694 /nfs/dbraw/zinc/67/16/94/535671694.db2.gz FZJMACVFSMZZAC-HLLBOEOZSA-N 1 0 321.465 2.386 10 0 DEAERO CCc1cccc(OCCN2CC[N@H+](CCOC)[C@@H](C)C2)c1 ZINC000247804661 535907317 /nfs/dbraw/zinc/90/73/17/535907317.db2.gz SGEOZGLFZSVPBM-INIZCTEOSA-N 1 0 306.450 2.280 10 0 DEAERO CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262401766 535911901 /nfs/dbraw/zinc/91/19/01/535911901.db2.gz YOXLZHZNFODNOF-ORQFMDKSSA-N 1 0 318.465 2.150 10 0 DEAERO CCc1cnc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)s1 ZINC000262659087 536024522 /nfs/dbraw/zinc/02/45/22/536024522.db2.gz FLKCWFQXBCXROX-YUTCNCBUSA-N 1 0 307.463 2.285 10 0 DEAERO CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247656071 536136190 /nfs/dbraw/zinc/13/61/90/536136190.db2.gz YJMXPTGXHSBZGK-SJORKVTESA-N 1 0 301.434 2.497 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)cc(OC)c1O ZINC000247202418 536168465 /nfs/dbraw/zinc/16/84/65/536168465.db2.gz XEOFHRAFMGQJMJ-KBPBESRZSA-N 1 0 318.417 2.408 10 0 DEAERO C[NH2+][C@@H](C)CNC(=O)c1ccccc1-c1nc(C(C)C)no1 ZINC000261692988 536343263 /nfs/dbraw/zinc/34/32/63/536343263.db2.gz IORWSKCGLIBGFA-NSHDSACASA-N 1 0 302.378 2.198 10 0 DEAERO COc1ccc(-c2nc(CN3CC[N@H+](C)[C@H](C)[C@@H]3C)no2)cc1 ZINC000357043047 536511639 /nfs/dbraw/zinc/51/16/39/536511639.db2.gz SLPREGYCEOFNFC-OLZOCXBDSA-N 1 0 316.405 2.270 10 0 DEAERO COC(=O)[C@H](C1CC1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000359604812 536645346 /nfs/dbraw/zinc/64/53/46/536645346.db2.gz FFLHZFQDSLVXIB-RDJZCZTQSA-N 1 0 308.466 2.382 10 0 DEAERO COc1ccc(NC(=O)CN2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000246735810 536766635 /nfs/dbraw/zinc/76/66/35/536766635.db2.gz WIDWYNCOAUYRIX-ZDUSSCGKSA-N 1 0 323.824 2.067 10 0 DEAERO COC(=O)c1ccc(N[C@@H](C)C(C)(C)C[NH+](C)C)nc1OC ZINC000186072594 536789967 /nfs/dbraw/zinc/78/99/67/536789967.db2.gz IXBIVXCRZGKBMQ-NSHDSACASA-N 1 0 309.410 2.265 10 0 DEAERO COc1c(F)ccc(F)c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261750179 536852872 /nfs/dbraw/zinc/85/28/72/536852872.db2.gz IZQCIJPRZIDYEX-PHIMTYICSA-N 1 0 310.344 2.045 10 0 DEAERO COc1ccccc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246186798 537045017 /nfs/dbraw/zinc/04/50/17/537045017.db2.gz HOGDESRXYBCZLP-DZGCQCFKSA-N 1 0 305.422 2.223 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000724104165 563496566 /nfs/dbraw/zinc/49/65/66/563496566.db2.gz ZBVCGFKBIVDBRN-BDJLRTHQSA-N 1 0 306.410 2.218 10 0 DEAERO CC(C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cnc(N)s2)C[C@H]1C ZINC000725271624 563576677 /nfs/dbraw/zinc/57/66/77/563576677.db2.gz IRDMPBSUTUFWMY-DYEKYZERSA-N 1 0 324.494 2.344 10 0 DEAERO COCCCOCC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183188545 625295373 /nfs/dbraw/zinc/29/53/73/625295373.db2.gz FKTHKSYYPVCCBT-QGZVFWFLSA-N 1 0 321.417 2.247 10 0 DEAERO Cc1cccc2c1OCC[C@@H]2NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000190607422 625408984 /nfs/dbraw/zinc/40/89/84/625408984.db2.gz RYIYTBMSNSUQEB-ZBFHGGJFSA-N 1 0 317.433 2.460 10 0 DEAERO C[C@H]1[C@@H]([NH2+]C2CCC(C(N)=O)CC2)CCN1Cc1ccccc1 ZINC000309640536 625443961 /nfs/dbraw/zinc/44/39/61/625443961.db2.gz BPYACFVRLWSWPR-KUQKPQIMSA-N 1 0 315.461 2.283 10 0 DEAERO CCN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2OC)cn1 ZINC000190846334 625489946 /nfs/dbraw/zinc/48/99/46/625489946.db2.gz LNVYLFZISBNOHB-MRXNPFEDSA-N 1 0 315.417 2.370 10 0 DEAERO [NH3+]C[C@@H]1CCN1c1ncc(Br)cc1Br ZINC000757139523 623115155 /nfs/dbraw/zinc/11/51/55/623115155.db2.gz CIODSDMMKUJIQD-ZETCQYMHSA-N 1 0 321.016 2.144 10 0 DEAERO C[C@H](C(=O)OCCc1cnccn1)N1CCc2ccccc2C1 ZINC000179370221 625624547 /nfs/dbraw/zinc/62/45/47/625624547.db2.gz PQWPUQHKDUXPSS-CQSZACIVSA-N 1 0 311.385 2.009 10 0 DEAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1F ZINC000757185504 623233564 /nfs/dbraw/zinc/23/35/64/623233564.db2.gz WNIJQQIKBPHWNM-UWVGGRQHSA-N 1 0 302.143 2.064 10 0 DEAERO Cc1ccc(-c2nc(CNC(=[NH2+])NC[C@@H]3CCCO3)co2)cc1 ZINC000072914271 624158032 /nfs/dbraw/zinc/15/80/32/624158032.db2.gz CYDYLEQSNMOFRF-HNNXBMFYSA-N 1 0 314.389 2.233 10 0 DEAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCCC2(C1)OCCO2 ZINC000090564411 624634261 /nfs/dbraw/zinc/63/42/61/624634261.db2.gz UDQPSGOHRCHPMA-UHFFFAOYSA-N 1 0 302.418 2.278 10 0 DEAERO C[C@H]([NH3+])C1CCN(S(=O)(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000255421042 624701758 /nfs/dbraw/zinc/70/17/58/624701758.db2.gz SCUAQSKWQDQKBT-KGTBHZDVSA-N 1 0 312.410 2.185 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000052792484 625104941 /nfs/dbraw/zinc/10/49/41/625104941.db2.gz YXFTWQSVQAUVPM-NEPJUHHUSA-N 1 0 314.838 2.357 10 0 DEAERO COC(=O)c1ccc(C[NH2+]CC2CCC3(CC2)OCCO3)cc1 ZINC000194998388 625763350 /nfs/dbraw/zinc/76/33/50/625763350.db2.gz JEIJJGVRVNKNRL-UHFFFAOYSA-N 1 0 319.401 2.496 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1nncn1C ZINC000299982798 633307126 /nfs/dbraw/zinc/30/71/26/633307126.db2.gz CVNBMZUVGMBAPK-RWMBFGLXSA-N 1 0 323.441 2.159 10 0 DEAERO CC(C)[C@@H](C(=O)OC[C@@H]1CC(=O)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000162813388 634134192 /nfs/dbraw/zinc/13/41/92/634134192.db2.gz JZDQUZGNGIACES-PBHICJAKSA-N 1 0 322.449 2.051 10 0 DEAERO CC1=CC[C@@H]([NH2+]C[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC000888102710 635563325 /nfs/dbraw/zinc/56/33/25/635563325.db2.gz HWHXIVKTFYOUGT-KYJSFNMBSA-N 1 0 316.449 2.418 10 0 DEAERO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000585159440 635718242 /nfs/dbraw/zinc/71/82/42/635718242.db2.gz OWONNMMVMCSGBH-QDEPRCCBSA-N 1 0 300.406 2.172 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000236897965 636111036 /nfs/dbraw/zinc/11/10/36/636111036.db2.gz FMHJLGOIFKDGHA-XHDPSFHLSA-N 1 0 305.422 2.445 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NOCc2ccc(F)cc2)C1 ZINC000248584198 636209392 /nfs/dbraw/zinc/20/93/92/636209392.db2.gz PKFFJXFTSJFZDD-SWLSCSKDSA-N 1 0 309.385 2.285 10 0 DEAERO C[C@@H](CNC(=O)N1CCC(c2ncc[nH]2)CC1)[NH+]1CCCCC1 ZINC000726708600 636457180 /nfs/dbraw/zinc/45/71/80/636457180.db2.gz OVMROEZNXVOCOQ-AWEZNQCLSA-N 1 0 319.453 2.173 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)C1 ZINC000119920259 636520843 /nfs/dbraw/zinc/52/08/43/636520843.db2.gz AZRFOOYBVFTQJH-MELADBBJSA-N 1 0 302.484 2.072 10 0 DEAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000186799691 636566184 /nfs/dbraw/zinc/56/61/84/636566184.db2.gz ZPIFAEBPBWXDJI-FZMZJTMJSA-N 1 0 318.808 2.254 10 0 DEAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261981264 636964426 /nfs/dbraw/zinc/96/44/26/636964426.db2.gz RQWJBBCTFBDCGL-PQEBFOHHSA-N 1 0 302.418 2.257 10 0 DEAERO CCn1cnn(CN2CCC(C[NH+](CC)CC)CC2)c1=S ZINC000738070249 637387596 /nfs/dbraw/zinc/38/75/96/637387596.db2.gz FNWAPASJNFNLRR-UHFFFAOYSA-N 1 0 311.499 2.445 10 0 DEAERO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc3nccn3c2)CC1 ZINC000738949775 637545642 /nfs/dbraw/zinc/54/56/42/637545642.db2.gz CEGJJWRUXWZTEC-UHFFFAOYSA-N 1 0 301.394 2.282 10 0 DEAERO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000320176321 637863970 /nfs/dbraw/zinc/86/39/70/637863970.db2.gz YFPRZJFFORKQSR-IAYMVZNDSA-N 1 0 302.827 2.356 10 0 DEAERO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Cc1ccc(F)cn1 ZINC000804868933 638037261 /nfs/dbraw/zinc/03/72/61/638037261.db2.gz IDHGODPQHUYKOD-UHFFFAOYSA-N 1 0 319.380 2.337 10 0 DEAERO O=C1C[C@@H](c2ccccc2)[N@H+](CCCCCCCO)CCN1 ZINC000743844406 638177511 /nfs/dbraw/zinc/17/75/11/638177511.db2.gz QIAGGJKAGCFNKW-KRWDZBQOSA-N 1 0 304.434 2.492 10 0 DEAERO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000746258109 638326131 /nfs/dbraw/zinc/32/61/31/638326131.db2.gz KAFUHDIDEMFMSK-MWDXBVQZSA-N 1 0 306.450 2.182 10 0 DEAERO Cn1cccc1[C@@H]1CCCCN1C(=S)NCCC[NH+](C)C ZINC000747655408 638459232 /nfs/dbraw/zinc/45/92/32/638459232.db2.gz KAGUVNUJPNZYQJ-HNNXBMFYSA-N 1 0 308.495 2.378 10 0 DEAERO COC(=O)/C(C)=C/C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000748812798 638593427 /nfs/dbraw/zinc/59/34/27/638593427.db2.gz HQRAYKNLEIGJNN-RCVIBLRSSA-N 1 0 300.402 2.174 10 0 DEAERO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000748818798 638594504 /nfs/dbraw/zinc/59/45/04/638594504.db2.gz YSHCSFDMNOJTGA-MQJVFOOVSA-N 1 0 314.389 2.028 10 0 DEAERO CC(=O)OCC(C)(C)CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000805332255 640900704 /nfs/dbraw/zinc/90/07/04/640900704.db2.gz OVBVHMSOBIKXHM-UKRRQHHQSA-N 1 0 310.438 2.051 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cc(F)ccc2F)C1 ZINC000078298101 641589357 /nfs/dbraw/zinc/58/93/57/641589357.db2.gz MSAJPKQLNWGUGS-CYBMUJFWSA-N 1 0 313.344 2.478 10 0 DEAERO Cc1nc2c(nccc2C(=O)NCC2([NH+](C)C)CCCCC2)[nH]1 ZINC000435396132 642158423 /nfs/dbraw/zinc/15/84/23/642158423.db2.gz WYQNYVQZAISFIR-UHFFFAOYSA-N 1 0 315.421 2.261 10 0 DEAERO C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccc2ccccc2c1 ZINC000899963306 642221476 /nfs/dbraw/zinc/22/14/76/642221476.db2.gz DXCKVZPUIHLJBF-IRWQIABSSA-N 1 0 312.413 2.472 10 0 DEAERO Cc1nc2c(nccc2C(=O)NCCC[NH+]2CCCCCC2)[nH]1 ZINC000436074266 642979250 /nfs/dbraw/zinc/97/92/50/642979250.db2.gz XDEUYSVCPGNZRH-UHFFFAOYSA-N 1 0 315.421 2.262 10 0 DEAERO CCCN(CCC[NH+](C)C)C(=O)c1ccnc2[nH]c(C)nc21 ZINC000437182158 644460955 /nfs/dbraw/zinc/46/09/55/644460955.db2.gz QJSABTQJVSNRSM-UHFFFAOYSA-N 1 0 303.410 2.070 10 0 DEAERO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCO[C@H](C(F)F)C1 ZINC000801420876 645393874 /nfs/dbraw/zinc/39/38/74/645393874.db2.gz YXVJRUVCZALNOW-OCCSQVGLSA-N 1 0 316.392 2.134 10 0 DEAERO C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CCCC12OCCO2 ZINC000806441206 645831281 /nfs/dbraw/zinc/83/12/81/645831281.db2.gz MERMEBMOXNDTHP-AWEZNQCLSA-N 1 0 304.390 2.230 10 0 DEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cscc1Br ZINC000757189331 645938617 /nfs/dbraw/zinc/93/86/17/645938617.db2.gz MYXPCSNGPCLODO-JGVFFNPUSA-N 1 0 304.209 2.377 10 0 DEAERO COC(=O)C[C@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000151464366 646385792 /nfs/dbraw/zinc/38/57/92/646385792.db2.gz PURFPBDKMOZUHK-DZGCQCFKSA-N 1 0 305.374 2.003 10 0 DEAERO COC(=O)C1(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000156495914 646427390 /nfs/dbraw/zinc/42/73/90/646427390.db2.gz CAVMGJBCRLJVRK-OAHLLOKOSA-N 1 0 317.385 2.147 10 0 DEAERO Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222555534 646452749 /nfs/dbraw/zinc/45/27/49/646452749.db2.gz OBVJILCZBUYYID-QGZVFWFLSA-N 1 0 315.392 2.368 10 0 DEAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CSC(=O)N1 ZINC000156794177 646467981 /nfs/dbraw/zinc/46/79/81/646467981.db2.gz GAKLDHZFSRTMNX-CQSZACIVSA-N 1 0 319.430 2.354 10 0 DEAERO Cc1nn(C)c(C)c1C[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC000227759674 646606503 /nfs/dbraw/zinc/60/65/03/646606503.db2.gz DTHYNBFOEQPBAK-BQYQJAHWSA-N 1 0 308.426 2.207 10 0 DEAERO C[NH+](C)[C@@H]1CN(Cc2ccsc2)CC[C@@H]1CNC(=O)C1CC1 ZINC000169788930 646629390 /nfs/dbraw/zinc/62/93/90/646629390.db2.gz MPHMDZFXSDUJQB-HZPDHXFCSA-N 1 0 321.490 2.026 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1nncn1C ZINC000229084603 646666040 /nfs/dbraw/zinc/66/60/40/646666040.db2.gz CVNBMZUVGMBAPK-XQQFMLRXSA-N 1 0 323.441 2.159 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2ccc(CO)o2)C1 ZINC000230167133 646720777 /nfs/dbraw/zinc/72/07/77/646720777.db2.gz JVEOLNMFELFMSD-GFCCVEGCSA-N 1 0 310.394 2.119 10 0 DEAERO CCC[C@@H](C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C)[NH+](C)C ZINC000188800596 646753573 /nfs/dbraw/zinc/75/35/73/646753573.db2.gz FMLZCWRRYQJAEN-OLZOCXBDSA-N 1 0 307.442 2.035 10 0 DEAERO C[C@@H]1CCN(CN2CCOC2=S)CC[N@@H+]1Cc1ccccc1 ZINC000173532463 646772216 /nfs/dbraw/zinc/77/22/16/646772216.db2.gz ZLVAHOLPEBKVJH-OAHLLOKOSA-N 1 0 319.474 2.157 10 0 DEAERO CCc1n[nH]cc1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732135595 647544614 /nfs/dbraw/zinc/54/46/14/647544614.db2.gz IEKIFOUDZJLPIL-UHFFFAOYSA-N 1 0 316.405 2.189 10 0 DEAERO CCc1nsc(N2CCC[N@H+](CC3(O)CCCCC3)CC2)n1 ZINC000174807490 647583284 /nfs/dbraw/zinc/58/32/84/647583284.db2.gz NAOAIJKCTSZDHS-UHFFFAOYSA-N 1 0 324.494 2.308 10 0 DEAERO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(Cl)nc(N(C)C)c2)C1 ZINC000733130889 647889348 /nfs/dbraw/zinc/88/93/48/647889348.db2.gz UCCQRRIQDCSXDA-LBPRGKRZSA-N 1 0 324.856 2.263 10 0 DEAERO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)nc(N(C)C)c2)C1 ZINC000733141313 647890202 /nfs/dbraw/zinc/89/02/02/647890202.db2.gz GEZJNBPTFRNRNX-GFCCVEGCSA-N 1 0 324.856 2.263 10 0 DEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000733164298 647893664 /nfs/dbraw/zinc/89/36/64/647893664.db2.gz ONMCNHYVHGFTCO-MRXNPFEDSA-N 1 0 302.418 2.060 10 0 DEAERO Cc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)[nH]1 ZINC000733160020 647894925 /nfs/dbraw/zinc/89/49/25/647894925.db2.gz ZXGDZPAGOWGHSD-HNNXBMFYSA-N 1 0 305.422 2.005 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000237832828 648425491 /nfs/dbraw/zinc/42/54/91/648425491.db2.gz GWPDRWKAGVVSHM-BXUZGUMPSA-N 1 0 302.353 2.073 10 0 DEAERO COCc1cc([C@@H](C)[NH2+]CCCn2ccnn2)ccc1OC ZINC000181983530 648805448 /nfs/dbraw/zinc/80/54/48/648805448.db2.gz RXQJHLJQKZUUMA-CYBMUJFWSA-N 1 0 304.394 2.174 10 0 DEAERO C[C@@H](CO)[N@H+](C)CCOc1ccccc1C(=O)OC(C)(C)C ZINC000185042184 649427584 /nfs/dbraw/zinc/42/75/84/649427584.db2.gz PRQOZLYPWCPDAW-ZDUSSCGKSA-N 1 0 309.406 2.333 10 0 DEAERO Cc1cccnc1/C=C/C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000185278909 649487846 /nfs/dbraw/zinc/48/78/46/649487846.db2.gz BSMKFQMHLKVUGA-FYCOFBDGSA-N 1 0 318.417 2.303 10 0 DEAERO Cc1noc(C)c1CN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106430986 651341917 /nfs/dbraw/zinc/34/19/17/651341917.db2.gz YRSKESCRCGUVCN-QGZVFWFLSA-N 1 0 315.417 2.423 10 0 DEAERO C[C@@H]1[NH2+]CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)[C@H]1C ZINC000379501377 685391346 /nfs/dbraw/zinc/39/13/46/685391346.db2.gz WMJLSMHIVYQHST-XHXQXFLYSA-N 1 0 314.838 2.323 10 0 DEAERO COCC[C@@H](COC)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000380757827 685397930 /nfs/dbraw/zinc/39/79/30/685397930.db2.gz NSDALEDYXSMHFZ-NSHDSACASA-N 1 0 302.758 2.389 10 0 DEAERO COCC1(C[NH2+]CCn2cc(Br)cn2)CCC1 ZINC000383739480 685408461 /nfs/dbraw/zinc/40/84/61/685408461.db2.gz XUHARDWKOWCXCH-UHFFFAOYSA-N 1 0 302.216 2.052 10 0 DEAERO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000389806506 685435822 /nfs/dbraw/zinc/43/58/22/685435822.db2.gz LMUQSFRLIHKSKG-CQSZACIVSA-N 1 0 310.394 2.395 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cc(C(C)C)nn2C)C1 ZINC000080292805 683980562 /nfs/dbraw/zinc/98/05/62/683980562.db2.gz ZWZKWOJXEFYSDS-CQSZACIVSA-N 1 0 323.437 2.057 10 0 DEAERO COCCNC(=[NH2+])NCc1ccc(-c2ccccc2C#N)cc1 ZINC000090988609 684033706 /nfs/dbraw/zinc/03/37/06/684033706.db2.gz QBVFIYTZHSUTTH-UHFFFAOYSA-N 1 0 308.385 2.276 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C12CCC2 ZINC000091762307 684039205 /nfs/dbraw/zinc/03/92/05/684039205.db2.gz IPXZRHWRRIJTPO-CBBWQLFWSA-N 1 0 309.454 2.116 10 0 DEAERO CCOCCO[C@@H](C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117100502 684067683 /nfs/dbraw/zinc/06/76/83/684067683.db2.gz OSQVKTNNNPUPSG-RDJZCZTQSA-N 1 0 321.417 2.246 10 0 DEAERO CCc1cccc(CC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)c1 ZINC000120720216 684100379 /nfs/dbraw/zinc/10/03/79/684100379.db2.gz AJLWPNRANDJRGS-IYBDPMFKSA-N 1 0 318.461 2.359 10 0 DEAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc(C(C)C)c2)C1 ZINC000122586323 684116693 /nfs/dbraw/zinc/11/66/93/684116693.db2.gz NCZLAJCKNCWYED-CQSZACIVSA-N 1 0 310.463 2.430 10 0 DEAERO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000124025743 684130559 /nfs/dbraw/zinc/13/05/59/684130559.db2.gz MMKRCNMSPNFZHU-INIZCTEOSA-N 1 0 304.438 2.385 10 0 DEAERO CCn1c(=S)n(CN2CC[NH+](C3CC3)CC2)nc1C1CC1 ZINC000129084916 684175698 /nfs/dbraw/zinc/17/56/98/684175698.db2.gz WFZVRXPQKVEILW-UHFFFAOYSA-N 1 0 307.467 2.049 10 0 DEAERO CN(C)C(=O)Sc1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000129111952 684176087 /nfs/dbraw/zinc/17/60/87/684176087.db2.gz KVPHCFGRLLLZMN-LLVKDONJSA-N 1 0 307.419 2.398 10 0 DEAERO COC(=O)C1(C(=O)OCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000156152346 684284911 /nfs/dbraw/zinc/28/49/11/684284911.db2.gz SDSQNOMQLJFARS-UHFFFAOYSA-N 1 0 305.374 2.005 10 0 DEAERO C[C@@H](NC(=O)c1c[nH+]ccc1N)c1ccc(N2CCCC2=O)cc1 ZINC000187543264 684339795 /nfs/dbraw/zinc/33/97/95/684339795.db2.gz MALXYJGTTJDALP-GFCCVEGCSA-N 1 0 324.384 2.282 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000187914541 684345744 /nfs/dbraw/zinc/34/57/44/684345744.db2.gz JBMGIZQXQIALOA-XHDPSFHLSA-N 1 0 311.813 2.156 10 0 DEAERO CCN(CC)c1ccc(CN2CCCNC(=O)[C@H]2C)cc1F ZINC000189089387 684372510 /nfs/dbraw/zinc/37/25/10/684372510.db2.gz MHCAPDPSGSZZFJ-CYBMUJFWSA-N 1 0 307.413 2.382 10 0 DEAERO CC(C)CNC(=[NH2+])NCCN1CCc2c(Cl)cccc2C1 ZINC000189386903 684380040 /nfs/dbraw/zinc/38/00/40/684380040.db2.gz PJLUYYAGYYWVNH-UHFFFAOYSA-N 1 0 308.857 2.258 10 0 DEAERO Cc1cc(C)cc([C@@H](O)CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000189927497 684392673 /nfs/dbraw/zinc/39/26/73/684392673.db2.gz ZEWUUNZBCBDLGK-AEFFLSMTSA-N 1 0 320.477 2.114 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000193649274 685045096 /nfs/dbraw/zinc/04/50/96/685045096.db2.gz SLVIZSDHZDLVQI-YPMHNXCESA-N 1 0 318.808 2.396 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1ncn(C(C)(C)C)c1=S ZINC000246883574 685138261 /nfs/dbraw/zinc/13/82/61/685138261.db2.gz BDVZIGWXQUIKMV-STQMWFEESA-N 1 0 309.483 2.295 10 0 DEAERO CO[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC[C@@H]1C ZINC000249989207 685188735 /nfs/dbraw/zinc/18/87/35/685188735.db2.gz ZMXBFQAUVWIJEP-XHDPSFHLSA-N 1 0 304.350 2.259 10 0 DEAERO CC(=O)N1C[C@H]([NH2+][C@H]2CCCOCC2)CC[C@H]1C(F)(F)F ZINC000886031609 691988568 /nfs/dbraw/zinc/98/85/68/691988568.db2.gz CULUCRQMVLHNLV-XQQFMLRXSA-N 1 0 308.344 2.087 10 0 DEAERO Cc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000886052903 691993490 /nfs/dbraw/zinc/99/34/90/691993490.db2.gz YJFUVBONLDDXNS-HKUYNNGSSA-N 1 0 324.428 2.137 10 0 DEAERO Cc1noc(CCC(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000176389792 782366216 /nfs/dbraw/zinc/36/62/16/782366216.db2.gz CSSRCGWXJSTTPK-HNNXBMFYSA-N 1 0 315.373 2.128 10 0 DEAERO CC(C)[C@H](C[NH2+][C@@H]1CCCOC1)ONC(=O)OC(C)(C)C ZINC000398704349 790288787 /nfs/dbraw/zinc/28/87/87/790288787.db2.gz SNHMOMGYQOZLHP-OLZOCXBDSA-N 1 0 302.415 2.236 10 0 DEAERO Cc1c(Br)cncc1NC(=O)C12CC[NH+](CC1)C2 ZINC000722756055 776725391 /nfs/dbraw/zinc/72/53/91/776725391.db2.gz OUROITVPWAXJOA-UHFFFAOYSA-N 1 0 310.195 2.187 10 0 DEAERO Cc1cn(C)nc1C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000723504962 777115665 /nfs/dbraw/zinc/11/56/65/777115665.db2.gz JSUZOGQSNCNOCM-GFCCVEGCSA-N 1 0 308.426 2.074 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)CC1=O ZINC000723565868 777124830 /nfs/dbraw/zinc/12/48/30/777124830.db2.gz HQLFPTQRCIKQMN-SECBINFHSA-N 1 0 304.362 2.303 10 0 DEAERO CC[C@H]([NH2+]CCn1cc(Br)cn1)[C@@H]1CCCOC1 ZINC000724007741 777220074 /nfs/dbraw/zinc/22/00/74/777220074.db2.gz SLVIJIQOFCDKTL-YPMHNXCESA-N 1 0 316.243 2.440 10 0 DEAERO C[C@@](O)(C[NH2+]CC[C@@H]1CCCCO1)C(F)(F)C(F)(F)F ZINC000724036037 777225656 /nfs/dbraw/zinc/22/56/56/777225656.db2.gz JAGRSWOGVGTUNR-VHSXEESVSA-N 1 0 305.287 2.484 10 0 DEAERO C[C@@H](O)C1CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724041763 777228646 /nfs/dbraw/zinc/22/86/46/777228646.db2.gz OZSDOTLBVQXVIU-PSASIEDQSA-N 1 0 305.287 2.028 10 0 DEAERO CCC(CC)[C@@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724046414 777230391 /nfs/dbraw/zinc/23/03/91/777230391.db2.gz CVPHOUBIICKNCJ-VHSXEESVSA-N 1 0 307.303 2.322 10 0 DEAERO C[C@@](O)(C[NH2+]C[C@H](O)c1ccsc1)C(F)(F)C(F)(F)F ZINC000724056610 777232338 /nfs/dbraw/zinc/23/23/38/777232338.db2.gz FPOAHKOQCXYSER-DTWKUNHWSA-N 1 0 319.295 2.320 10 0 DEAERO COc1ccc(Br)c(C[NH2+][C@@H]2CC23CC(O)C3)c1 ZINC000724943867 777530317 /nfs/dbraw/zinc/53/03/17/777530317.db2.gz AJVVHTUMBMCJGX-IWXRYERYSA-N 1 0 312.207 2.461 10 0 DEAERO OCC[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)C1CCCC1 ZINC000725104914 777586686 /nfs/dbraw/zinc/58/66/86/777586686.db2.gz MIXROPHUJQTZSB-MSOLQXFVSA-N 1 0 307.434 2.095 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)c2c(C)csc2C)CC[C@@H]1[NH3+] ZINC000725111711 777588180 /nfs/dbraw/zinc/58/81/80/777588180.db2.gz DOHCTGRNXUCBLJ-NEPJUHHUSA-N 1 0 302.465 2.113 10 0 DEAERO Cn1cc(C[NH2+][C@H](CCO)C2CCCC2)c(Br)n1 ZINC000725115012 777588204 /nfs/dbraw/zinc/58/82/04/777588204.db2.gz VLEMPVFKZFXQLA-GFCCVEGCSA-N 1 0 316.243 2.213 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000725115446 777589376 /nfs/dbraw/zinc/58/93/76/777589376.db2.gz UBMDVFPAPCJSHK-CABZTGNLSA-N 1 0 302.465 2.113 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000725116062 777589429 /nfs/dbraw/zinc/58/94/29/777589429.db2.gz AJMGQQLKISSVJT-LBPRGKRZSA-N 1 0 304.481 2.359 10 0 DEAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)CCO1 ZINC000721592256 777596936 /nfs/dbraw/zinc/59/69/36/777596936.db2.gz GFXUXTNDIXDUQF-IHRRRGAJSA-N 1 0 303.468 2.137 10 0 DEAERO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN1CCOC1=S ZINC000173515640 778257189 /nfs/dbraw/zinc/25/71/89/778257189.db2.gz YHRCPNIWKZIENC-INIZCTEOSA-N 1 0 319.474 2.015 10 0 DEAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CCO1 ZINC000722488701 778738679 /nfs/dbraw/zinc/73/86/79/778738679.db2.gz DZUNIGZJZVDZNV-FRRDWIJNSA-N 1 0 300.399 2.085 10 0 DEAERO O=S(=O)(CC1CCC1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000721875878 780505295 /nfs/dbraw/zinc/50/52/95/780505295.db2.gz PAZHEACYXSBSND-AWEZNQCLSA-N 1 0 300.468 2.018 10 0 DEAERO Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721905663 781600112 /nfs/dbraw/zinc/60/01/12/781600112.db2.gz SGUPFQZJMXVDKG-AWEZNQCLSA-N 1 0 322.453 2.464 10 0 DEAERO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(Br)c1 ZINC000712313081 784814145 /nfs/dbraw/zinc/81/41/45/784814145.db2.gz GHHTZAHEQFGICY-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC1CC(O)C1 ZINC000190202097 786181978 /nfs/dbraw/zinc/18/19/78/786181978.db2.gz ZMLKGSHSCGBJMM-JFUPDXTOSA-N 1 0 316.445 2.273 10 0 DEAERO CCC(CC)(CO)C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724050863 787347665 /nfs/dbraw/zinc/34/76/65/787347665.db2.gz ZVEAHOUULAHJLN-SECBINFHSA-N 1 0 307.303 2.323 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)C1 ZINC000724103411 787349371 /nfs/dbraw/zinc/34/93/71/787349371.db2.gz PXCAXJLKPCGULK-QPSCCSFWSA-N 1 0 312.454 2.430 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)CN1Cc1ccccc1 ZINC000724655211 787352575 /nfs/dbraw/zinc/35/25/75/787352575.db2.gz AOUYTEZTUWCIHR-SJQORLFUSA-N 1 0 316.445 2.043 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000725074835 787356043 /nfs/dbraw/zinc/35/60/43/787356043.db2.gz GGOKZDNJDCWRNE-SNVBAGLBSA-N 1 0 302.465 2.031 10 0 DEAERO CN1CC[C@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000712594190 792192598 /nfs/dbraw/zinc/19/25/98/792192598.db2.gz GWYIOEXTDJRFEH-WDEREUQCSA-N 1 0 319.232 2.027 10 0 DEAERO CC1(C)CC[NH2+]CCN1C(=O)c1ccc(Br)o1 ZINC000712534414 792200289 /nfs/dbraw/zinc/20/02/89/792200289.db2.gz GVFUCTCOBJYHGW-UHFFFAOYSA-N 1 0 301.184 2.256 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CO1 ZINC000713536883 792235207 /nfs/dbraw/zinc/23/52/07/792235207.db2.gz JBWIQRRVJWFXFB-FQUUOJAGSA-N 1 0 324.421 2.085 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1Cc1ncc(Br)s1 ZINC000713690179 792243666 /nfs/dbraw/zinc/24/36/66/792243666.db2.gz KOIUZVURQXDFPZ-SECBINFHSA-N 1 0 304.257 2.480 10 0 DEAERO COc1cc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)ccc1Cl ZINC000714248901 792305799 /nfs/dbraw/zinc/30/57/99/792305799.db2.gz HHRLQMSOPPKXOX-XYPYZODXSA-N 1 0 303.811 2.014 10 0 DEAERO CCn1cc(CNC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nn1 ZINC000714904619 792357128 /nfs/dbraw/zinc/35/71/28/792357128.db2.gz DEHIOEFNXNKNSR-GOSISDBHSA-N 1 0 313.449 2.442 10 0 DEAERO O=S(=O)(CCCC1CC1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000714987000 792365064 /nfs/dbraw/zinc/36/50/64/792365064.db2.gz ULQROENRVBOCNX-HUUCEWRRSA-N 1 0 300.468 2.113 10 0 DEAERO O=C(NC12CC[NH+](CC1)C2)c1ccc(Br)cc1F ZINC000715502939 792471762 /nfs/dbraw/zinc/47/17/62/792471762.db2.gz WGVZQHHRQJRHRJ-UHFFFAOYSA-N 1 0 313.170 2.166 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)c1cn(C)nn1 ZINC000715851265 792526135 /nfs/dbraw/zinc/52/61/35/792526135.db2.gz DGUKVAKERKQMBO-XQQFMLRXSA-N 1 0 323.441 2.254 10 0 DEAERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1c(Br)c(C)nn1C ZINC000716795384 793007645 /nfs/dbraw/zinc/00/76/45/793007645.db2.gz CKIVVWKPKXJCSA-PSASIEDQSA-N 1 0 304.232 2.130 10 0 DEAERO CC[C@H](C[C@@H](C)O)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000716855219 793010397 /nfs/dbraw/zinc/01/03/97/793010397.db2.gz VXOJRGNRLCFVKG-UPJWGTAASA-N 1 0 301.814 2.219 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCOCC2)[C@@H]1c1ccccc1 ZINC000245640548 797935217 /nfs/dbraw/zinc/93/52/17/797935217.db2.gz YTNQZWWUOFOIGF-ULQDDVLXSA-N 1 0 317.433 2.300 10 0 DEAERO [NH3+][C@@H]1CN(CCOCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000717162825 799257718 /nfs/dbraw/zinc/25/77/18/799257718.db2.gz QXKVYAJQGRWHCA-ZIAGYGMSSA-N 1 0 302.340 2.415 10 0 DEAERO C[C@@H](O)[C@@H](O)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000717337994 799381228 /nfs/dbraw/zinc/38/12/28/799381228.db2.gz AVQSVWMWVQKVKQ-KDOFPFPSSA-N 1 0 301.386 2.097 10 0 DEAERO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000717365722 799391786 /nfs/dbraw/zinc/39/17/86/799391786.db2.gz KVQNUSFUBOFENA-KBXCAEBGSA-N 1 0 301.386 2.097 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H](O)C3CC3)C[C@H]2C1 ZINC000400984755 801814157 /nfs/dbraw/zinc/81/41/57/801814157.db2.gz XWNURPIMXKCWEY-YHUYYLMFSA-N 1 0 324.465 2.383 10 0 DEAERO Cc1nccn1CC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401711639 801844769 /nfs/dbraw/zinc/84/47/69/801844769.db2.gz WBAVZPPDMBXGMV-HIFRSBDPSA-N 1 0 322.453 2.427 10 0 DEAERO Cc1nccn1CC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401711637 801845368 /nfs/dbraw/zinc/84/53/68/801845368.db2.gz WBAVZPPDMBXGMV-DZGCQCFKSA-N 1 0 322.453 2.427 10 0 DEAERO C[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401771038 801849891 /nfs/dbraw/zinc/84/98/91/801849891.db2.gz OJSFUNKHPBXTQE-MGPQQGTHSA-N 1 0 300.443 2.240 10 0 DEAERO Fc1nccnc1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000402830106 801910851 /nfs/dbraw/zinc/91/08/51/801910851.db2.gz KUYBZBSIVONIBO-HNNXBMFYSA-N 1 0 300.381 2.362 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2cscc2Br)CCOC1 ZINC000404219486 802009643 /nfs/dbraw/zinc/00/96/43/802009643.db2.gz RHUPUPZLDPFWSI-NSHDSACASA-N 1 0 306.225 2.142 10 0 DEAERO CN(C(=O)c1nscc1Br)C1CCC([NH3+])CC1 ZINC000404806779 802032650 /nfs/dbraw/zinc/03/26/50/802032650.db2.gz ZGMCBNOKHVUXTQ-UHFFFAOYSA-N 1 0 318.240 2.248 10 0 DEAERO Cc1nnc([C@H](C)[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)[nH]1 ZINC000404801591 802032847 /nfs/dbraw/zinc/03/28/47/802032847.db2.gz KHIPJTKWDFNXQT-MVWJERBFSA-N 1 0 323.441 2.456 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CC2(O)CCC2)C12CCC2 ZINC000405209100 802045095 /nfs/dbraw/zinc/04/50/95/802045095.db2.gz BWQFROHYAUXUBN-STQMWFEESA-N 1 0 310.438 2.327 10 0 DEAERO CCN1CC[NH+](CCCCCNC(=O)c2ccccc2F)CC1 ZINC000041566902 1078282415 /nfs/dbraw/zinc/28/24/15/1078282415.db2.gz XJWJMNJFYFELHX-UHFFFAOYSA-N 1 0 321.440 2.363 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000725075192 1078800609 /nfs/dbraw/zinc/80/06/09/1078800609.db2.gz JTNTWCNPBNLCFC-QWHCGFSZSA-N 1 0 314.476 2.128 10 0 DEAERO c1csc(-c2n[nH]cc2C[NH2+]CCOC[C@H]2CCOC2)c1 ZINC000068992495 1079945887 /nfs/dbraw/zinc/94/58/87/1079945887.db2.gz STABUIOPICENQR-LBPRGKRZSA-N 1 0 307.419 2.281 10 0 DEAERO CC1(C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000717947788 1081844399 /nfs/dbraw/zinc/84/43/99/1081844399.db2.gz ZMDCBBPXHHLAFA-UHFFFAOYSA-N 1 0 316.445 2.320 10 0 DEAERO CC(C)(CCS(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C)C1CC1 ZINC000718013612 1081863913 /nfs/dbraw/zinc/86/39/13/1081863913.db2.gz IGMKNFQNMNJZBX-CYBMUJFWSA-N 1 0 302.484 2.120 10 0 DEAERO CC(C)(C)OC(=O)NC1CCN(CC[NH2+]Cc2ccoc2)CC1 ZINC000721928866 1084485274 /nfs/dbraw/zinc/48/52/74/1084485274.db2.gz CQVRBGGYVYNGLS-UHFFFAOYSA-N 1 0 323.437 2.358 10 0 DEAERO Cc1ncc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1C ZINC000721939233 1084717681 /nfs/dbraw/zinc/71/76/81/1084717681.db2.gz KGBFJXLWLLPSQO-AWEZNQCLSA-N 1 0 322.453 2.464 10 0 DEAERO CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000720966187 1085190713 /nfs/dbraw/zinc/19/07/13/1085190713.db2.gz OHUXXTLGZJXMQK-HZSPNIEDSA-N 1 0 323.234 2.263 10 0 DEAERO O=C(Nc1ccc(Br)cc1F)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721009022 1085509022 /nfs/dbraw/zinc/50/90/22/1085509022.db2.gz SESULSZYFIQFHG-PTRXPTGYSA-N 1 0 313.170 2.382 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000720837580 1086205082 /nfs/dbraw/zinc/20/50/82/1086205082.db2.gz VSLQTZQSSGNMEC-LBPRGKRZSA-N 1 0 302.827 2.006 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)/C=C/c2ccc(Br)o2)C[NH2+]1 ZINC000700610874 1086321270 /nfs/dbraw/zinc/32/12/70/1086321270.db2.gz KHYZDCTWTMTOOE-NVETZNIKSA-N 1 0 313.195 2.312 10 0 DEAERO O=C(/C=C\c1ccc(Br)o1)N[C@H]1CCC[NH2+]CC1 ZINC000700608775 1086321721 /nfs/dbraw/zinc/32/17/21/1086321721.db2.gz NBCGBQIZQBGLHP-OAQKJQOQSA-N 1 0 313.195 2.314 10 0 DEAERO Cc1n[nH]cc1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701921901 1086395802 /nfs/dbraw/zinc/39/58/02/1086395802.db2.gz AQVOENZTFDFOEK-UHFFFAOYSA-N 1 0 306.410 2.207 10 0 DEAERO Cc1nc(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)sc1C ZINC000702354424 1086422918 /nfs/dbraw/zinc/42/29/18/1086422918.db2.gz BXBGEXBPKJQEAJ-CQSZACIVSA-N 1 0 318.446 2.158 10 0 DEAERO Cc1nc(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)sc1C ZINC000702354417 1086423125 /nfs/dbraw/zinc/42/31/25/1086423125.db2.gz BXBGEXBPKJQEAJ-AWEZNQCLSA-N 1 0 318.446 2.158 10 0 DEAERO C[C@H](Cc1ccccn1)[NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000703316068 1086493406 /nfs/dbraw/zinc/49/34/06/1086493406.db2.gz XEPNHBOVQCESKS-TZMCWYRMSA-N 1 0 307.394 2.153 10 0 DEAERO Cc1cc(Br)ccc1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703550454 1086515251 /nfs/dbraw/zinc/51/52/51/1086515251.db2.gz OZESAKDPZWURLK-XHDPSFHLSA-N 1 0 323.234 2.439 10 0 DEAERO CNC(=S)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000703556732 1086517869 /nfs/dbraw/zinc/51/78/69/1086517869.db2.gz PXUPYULVNDCXDK-OAHLLOKOSA-N 1 0 303.475 2.383 10 0 DEAERO COC[C@H](C)OC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000704405065 1086580939 /nfs/dbraw/zinc/58/09/39/1086580939.db2.gz OBPINPPBUCUPOZ-OFQRWUPVSA-N 1 0 306.406 2.268 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000705067889 1086600878 /nfs/dbraw/zinc/60/08/78/1086600878.db2.gz DNCNJTLDYPTITN-DYVFJYSZSA-N 1 0 310.438 2.281 10 0 DEAERO CC[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)CO1 ZINC000705921342 1086626971 /nfs/dbraw/zinc/62/69/71/1086626971.db2.gz DGCMMHRQNKQFFF-ZIAGYGMSSA-N 1 0 316.442 2.027 10 0 DEAERO C[C@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@@H]1CCCCO1 ZINC000705986065 1086629067 /nfs/dbraw/zinc/62/90/67/1086629067.db2.gz VXHVEPFNNDQASL-SBJFKYEJSA-N 1 0 310.438 2.399 10 0 DEAERO Cc1cc(Cl)cc(C[NH2+]C(C)(C)CNS(C)(=O)=O)c1 ZINC000708274572 1086677987 /nfs/dbraw/zinc/67/79/87/1086677987.db2.gz IUSAAKSWLVRVRV-UHFFFAOYSA-N 1 0 304.843 2.066 10 0 DEAERO OCC[NH2+][C@H]1CCCN(Cc2csc(Br)c2)C1 ZINC000708564635 1086681592 /nfs/dbraw/zinc/68/15/92/1086681592.db2.gz JYHZRZXJSJJHSY-NSHDSACASA-N 1 0 319.268 2.057 10 0 DEAERO CO[C@@H](C)C[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000710110009 1086687499 /nfs/dbraw/zinc/68/74/99/1086687499.db2.gz RSMQSFUDVLMVJH-JQWIXIFHSA-N 1 0 316.323 2.131 10 0 DEAERO CCN(C(=O)c1ccc(Br)nc1)[C@H]1CC[N@H+](C)C1 ZINC000710566980 1086687648 /nfs/dbraw/zinc/68/76/48/1086687648.db2.gz XMRSDWQWUNFWFE-NSHDSACASA-N 1 0 312.211 2.010 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000710956686 1086691114 /nfs/dbraw/zinc/69/11/14/1086691114.db2.gz CBIOCRWTEWNNTD-PVAVHDDUSA-N 1 0 304.434 2.391 10 0 DEAERO CC[C@H](C[NH2+][C@H]1CCC1(OC)OC)NC(=O)OC(C)(C)C ZINC000710959128 1086691368 /nfs/dbraw/zinc/69/13/68/1086691368.db2.gz KXFVLOGWJKXYDQ-NEPJUHHUSA-N 1 0 302.415 2.031 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c(Cl)c1 ZINC000711369005 1087079911 /nfs/dbraw/zinc/07/99/11/1087079911.db2.gz QLWDAEPMWFBFRR-FZMZJTMJSA-N 1 0 314.838 2.069 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711488918 1087133516 /nfs/dbraw/zinc/13/35/16/1087133516.db2.gz ASJAXJUEPVIGNF-MJBXVCDLSA-N 1 0 300.443 2.286 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1CCC2(CCC2)O1)COCc1ccccc1 ZINC000711511715 1087146891 /nfs/dbraw/zinc/14/68/91/1087146891.db2.gz AEWGWXLOHOPFOX-SJORKVTESA-N 1 0 305.418 2.255 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cc[nH]n3)CCC[C@H]12 ZINC000711627499 1087177776 /nfs/dbraw/zinc/17/77/76/1087177776.db2.gz VEJXMRORJVOARR-BBRMVZONSA-N 1 0 306.410 2.431 10 0 DEAERO O=C(NCc1cnc(Cl)s1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000718165165 1088395033 /nfs/dbraw/zinc/39/50/33/1088395033.db2.gz OKOAJSBDMIENCZ-GFCCVEGCSA-N 1 0 307.806 2.300 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC000718807777 1088654989 /nfs/dbraw/zinc/65/49/89/1088654989.db2.gz RAFBXWNGFNADBL-PSASIEDQSA-N 1 0 308.856 2.242 10 0 DEAERO CO[C@@]1(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CCSC1 ZINC000719247483 1088911926 /nfs/dbraw/zinc/91/19/26/1088911926.db2.gz GOJHMRRPCVMQPQ-MOENNCHZSA-N 1 0 313.385 2.334 10 0 DEAERO Cc1nc(C[NH2+]CCc2cn(C)cn2)sc1Br ZINC000719304732 1088941363 /nfs/dbraw/zinc/94/13/63/1088941363.db2.gz IVANFXIECFRCEW-UHFFFAOYSA-N 1 0 315.240 2.280 10 0 DEAERO Cc1nc(C[NH2+]C[C@@H]2CCCN2C)sc1Br ZINC000719305095 1088944116 /nfs/dbraw/zinc/94/41/16/1088944116.db2.gz LYMJSFCECUBBBT-VIFPVBQESA-N 1 0 304.257 2.398 10 0 DEAERO C[C@@H](CC(=O)NCc1ncc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000719403103 1089130105 /nfs/dbraw/zinc/13/01/05/1089130105.db2.gz WJUAAMLEYKRNMV-UWVGGRQHSA-N 1 0 301.843 2.439 10 0 DEAERO CO[C@]1(CO)CCC[N@H+](C[C@@H](C)COCc2ccccc2)C1 ZINC000719494625 1089275746 /nfs/dbraw/zinc/27/57/46/1089275746.db2.gz CFGBRVVNDNWLOW-SJLPKXTDSA-N 1 0 307.434 2.313 10 0 DEAERO COC(C)(C)[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000720236723 1089536444 /nfs/dbraw/zinc/53/64/44/1089536444.db2.gz URJKHTHCXBQTQY-NWDGAFQWSA-N 1 0 301.814 2.483 10 0 DEAERO C[NH2+]CCCCC(=O)N(C)Cc1ccc(Br)o1 ZINC000719693611 1092463726 /nfs/dbraw/zinc/46/37/26/1092463726.db2.gz XUJXJYVEKLFRCX-UHFFFAOYSA-N 1 0 303.200 2.390 10 0 DEAERO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccc[nH]3)cc2)CC1 ZINC000074682592 185009083 /nfs/dbraw/zinc/00/90/83/185009083.db2.gz DZDPMEUMKTUYHA-UHFFFAOYSA-N 1 0 312.417 2.338 10 0 DEAERO C[NH2+][C@H]1c2ccccc2CCC[C@H]1SCCS(C)(=O)=O ZINC000081768977 192322815 /nfs/dbraw/zinc/32/28/15/192322815.db2.gz SALBXCYWOKRWHP-CABCVRRESA-N 1 0 313.488 2.430 10 0 DEAERO C[NH2+][C@H]1c2ccccc2CCC[C@@H]1SCCS(C)(=O)=O ZINC000081768973 192323358 /nfs/dbraw/zinc/32/33/58/192323358.db2.gz SALBXCYWOKRWHP-GJZGRUSLSA-N 1 0 313.488 2.430 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(F)cc1F ZINC000076686560 185031393 /nfs/dbraw/zinc/03/13/93/185031393.db2.gz LWLBLTVNDZZHFU-LBPRGKRZSA-N 1 0 313.348 2.197 10 0 DEAERO Cc1nc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cs1 ZINC000076728649 185035614 /nfs/dbraw/zinc/03/56/14/185035614.db2.gz WFITVYGOTNHABK-INIZCTEOSA-N 1 0 308.495 2.053 10 0 DEAERO CCOC(=O)CSC[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000081796374 192324383 /nfs/dbraw/zinc/32/43/83/192324383.db2.gz LBRYGWYCXAPXEL-GFCCVEGCSA-N 1 0 311.403 2.015 10 0 DEAERO CC[NH2+][C@@H]1CCOC[C@H]1Sc1nnc(C2CC2)n1C1CC1 ZINC000081857428 192333213 /nfs/dbraw/zinc/33/32/13/192333213.db2.gz NFNSTAGOWKRDHG-CHWSQXEVSA-N 1 0 308.451 2.350 10 0 DEAERO CCn1c(S[C@@H](C(C)C)[C@H]([NH3+])c2ccccc2)n[nH]c1=O ZINC000081879860 192333953 /nfs/dbraw/zinc/33/39/53/192333953.db2.gz BZPZUWDLWJQUCE-OLZOCXBDSA-N 1 0 306.435 2.408 10 0 DEAERO [NH3+][C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccc(F)cc1F ZINC000081932276 192341266 /nfs/dbraw/zinc/34/12/66/192341266.db2.gz RYXRRSHYMNQEBY-LSDHHAIUSA-N 1 0 309.337 2.363 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1S(=O)(=O)c1ccc(Br)cc1 ZINC000081934016 192341269 /nfs/dbraw/zinc/34/12/69/192341269.db2.gz XIXAFHJXBRVKNB-GHMZBOCLSA-N 1 0 304.209 2.103 10 0 DEAERO CCC(CC)(OC)[C@H]([NH2+]C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000164489888 197654065 /nfs/dbraw/zinc/65/40/65/197654065.db2.gz FISNYYSSVUZZQJ-MELADBBJSA-N 1 0 305.484 2.383 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)c1ccccc1Br)C1CC1 ZINC000081931501 192341884 /nfs/dbraw/zinc/34/18/84/192341884.db2.gz RKSMPNWKXPKXIW-NSHDSACASA-N 1 0 318.236 2.221 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CO)CC(C)(C)C ZINC000152388054 282143403 /nfs/dbraw/zinc/14/34/03/282143403.db2.gz PGHZGNGIAILUAY-LSDHHAIUSA-N 1 0 313.486 2.203 10 0 DEAERO CCC[C@@H]([NH3+])[C@@H](CO)Sc1ccc(Br)cn1 ZINC000164660743 197661232 /nfs/dbraw/zinc/66/12/32/197661232.db2.gz YHOQAMVMKRLUAG-NXEZZACHSA-N 1 0 305.241 2.425 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000189044838 529387379 /nfs/dbraw/zinc/38/73/79/529387379.db2.gz USHZTUKMIPWEEB-CQSZACIVSA-N 1 0 300.805 2.368 10 0 DEAERO CC[C@@H]([NH3+])Cc1ccc(Cl)cc1N1CCn2cnnc2C1 ZINC000164733650 197662553 /nfs/dbraw/zinc/66/25/53/197662553.db2.gz GDEYCKPSSNWKQL-CYBMUJFWSA-N 1 0 305.813 2.232 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3)CC2)CCO1 ZINC000079427433 185171081 /nfs/dbraw/zinc/17/10/81/185171081.db2.gz RDOAGFOTABSCQF-CQSZACIVSA-N 1 0 303.406 2.404 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000082315258 185175511 /nfs/dbraw/zinc/17/55/11/185175511.db2.gz UVQINBUFSMKIBW-HNNXBMFYSA-N 1 0 319.424 2.349 10 0 DEAERO C[C@H]1CN(c2ccccc2I)[C@@H](C)C[NH2+]1 ZINC000083085508 185212925 /nfs/dbraw/zinc/21/29/25/185212925.db2.gz VTAMMRLUYHMZKF-UWVGGRQHSA-N 1 0 316.186 2.478 10 0 DEAERO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2C[C@@H]2CCc3ccccc3C2)n1 ZINC000328624475 231257256 /nfs/dbraw/zinc/25/72/56/231257256.db2.gz JYPKVFZBMRUEHG-KBRIMQKVSA-N 1 0 313.401 2.291 10 0 DEAERO CC[C@@H]1CN(c2ccc(I)cc2)CC[NH2+]1 ZINC000083061265 185212425 /nfs/dbraw/zinc/21/24/25/185212425.db2.gz WEQBBUJWIQSXFV-LLVKDONJSA-N 1 0 316.186 2.479 10 0 DEAERO CCOCC[C@@H](O)[C@@H](C[NH3+])c1ccccc1Br ZINC000087381327 185223195 /nfs/dbraw/zinc/22/31/95/185223195.db2.gz NSQJUHCHAANHFQ-WCQYABFASA-N 1 0 302.212 2.279 10 0 DEAERO CC[C@H]1CN(C(=O)c2snnc2C(C)(C)C)[C@@H](CC)C[NH2+]1 ZINC000087456117 185225618 /nfs/dbraw/zinc/22/56/18/185225618.db2.gz AHDDKWVWFOFXLL-QWRGUYRKSA-N 1 0 310.467 2.438 10 0 DEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1snnc1C(C)(C)C ZINC000087456116 185225682 /nfs/dbraw/zinc/22/56/82/185225682.db2.gz AHDDKWVWFOFXLL-WDEREUQCSA-N 1 0 310.467 2.438 10 0 DEAERO CCCN(C(=O)c1snnc1C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000087455862 185225704 /nfs/dbraw/zinc/22/57/04/185225704.db2.gz CMICMNUULHMYII-NSHDSACASA-N 1 0 310.467 2.440 10 0 DEAERO CC(C)[NH2+]Cc1snnc1-c1ccc(S(C)(=O)=O)cc1 ZINC000087457485 185225862 /nfs/dbraw/zinc/22/58/62/185225862.db2.gz WHQCXCMKEXMLMB-UHFFFAOYSA-N 1 0 311.432 2.107 10 0 DEAERO CC[C@H](C[NH3+])C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000087532783 185227668 /nfs/dbraw/zinc/22/76/68/185227668.db2.gz XVMBAWOTVXSFOA-LLVKDONJSA-N 1 0 304.312 2.229 10 0 DEAERO CCC[NH2+][C@@H](CC(N)=O)c1ccc(OC)c(OC(F)F)c1 ZINC000087551802 185227987 /nfs/dbraw/zinc/22/79/87/185227987.db2.gz DBIGYHIAWBIQDO-JTQLQIEISA-N 1 0 302.321 2.213 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)C(C)(C)C(C)(C)[NH3+])c1 ZINC000087627627 185229665 /nfs/dbraw/zinc/22/96/65/185229665.db2.gz NUYBOXFXOJZUKD-UHFFFAOYSA-N 1 0 311.813 2.402 10 0 DEAERO CC[C@H](CC[NH3+])N1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000087639622 185229826 /nfs/dbraw/zinc/22/98/26/185229826.db2.gz UCYDVEWZCBWQTA-GFCCVEGCSA-N 1 0 311.499 2.085 10 0 DEAERO NNc1nc(OCc2ccccc2F)c(Br)c[nH+]1 ZINC000087889920 185234691 /nfs/dbraw/zinc/23/46/91/185234691.db2.gz CBNGPNMWBITTHU-UHFFFAOYSA-N 1 0 313.130 2.243 10 0 DEAERO NNc1cc(Sc2ccccc2Br)nc(N)[nH+]1 ZINC000087889484 185234785 /nfs/dbraw/zinc/23/47/85/185234785.db2.gz OWHQPLFIJFZCHA-UHFFFAOYSA-N 1 0 312.196 2.258 10 0 DEAERO C[C@@H]([NH3+])CCS(=O)(=O)Cc1sccc1Br ZINC000088087063 185239503 /nfs/dbraw/zinc/23/95/03/185239503.db2.gz VXWBINJOWVIOED-SSDOTTSWSA-N 1 0 312.254 2.163 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@]1(C[NH3+])Nc1ccccc1Cl ZINC000087915971 185237272 /nfs/dbraw/zinc/23/72/72/185237272.db2.gz DYQIUKZHOARAMY-CHWSQXEVSA-N 1 0 302.827 2.047 10 0 DEAERO CC[C@H]1CCCCN1c1nc(NN)[nH+]cc1Br ZINC000087905606 185237293 /nfs/dbraw/zinc/23/72/93/185237293.db2.gz VAPYHNHZMWZXGW-QMMMGPOBSA-N 1 0 300.204 2.294 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@]1(C[NH3+])Nc1ccc(Cl)cc1 ZINC000087914282 185237367 /nfs/dbraw/zinc/23/73/67/185237367.db2.gz KSFCWLZBWULAKX-OLZOCXBDSA-N 1 0 302.827 2.047 10 0 DEAERO CCOCCN(C)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000087975877 185237725 /nfs/dbraw/zinc/23/77/25/185237725.db2.gz HLMHPKYUXLRYLS-SNVBAGLBSA-N 1 0 307.257 2.479 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@H]1COc2ccccc2C1 ZINC000088021715 185237990 /nfs/dbraw/zinc/23/79/90/185237990.db2.gz GJAXBWARSKLAER-CABCVRRESA-N 1 0 311.447 2.041 10 0 DEAERO COc1ccc(Br)c(C[S@@](=O)CCC[NH3+])c1 ZINC000088066806 185238710 /nfs/dbraw/zinc/23/87/10/185238710.db2.gz RRCQNCIJCMLOQT-MRXNPFEDSA-N 1 0 306.225 2.055 10 0 DEAERO CC[C@@H]([NH3+])CS(=O)(=O)Cc1ccccc1Br ZINC000088074707 185238768 /nfs/dbraw/zinc/23/87/68/185238768.db2.gz CDIUHDVISGEPND-SNVBAGLBSA-N 1 0 306.225 2.101 10 0 DEAERO C[C@H](CC[NH3+])S(=O)(=O)Cc1sccc1Br ZINC000088088321 185239398 /nfs/dbraw/zinc/23/93/98/185239398.db2.gz JNBWAQMJKYVYLQ-SSDOTTSWSA-N 1 0 312.254 2.163 10 0 DEAERO COc1ccc(Br)c(C[C@H]([NH3+])[C@H]2CCOC2)c1 ZINC000087804340 185232593 /nfs/dbraw/zinc/23/25/93/185232593.db2.gz YUJRHSWSWZNZMV-ZANVPECISA-N 1 0 300.196 2.364 10 0 DEAERO Cn1ccnc1Cn1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837583 185232993 /nfs/dbraw/zinc/23/29/93/185232993.db2.gz VSHRZOXEQYATCP-UHFFFAOYSA-N 1 0 306.167 2.163 10 0 DEAERO C[C@H](c1nncn1C)n1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837420 185233084 /nfs/dbraw/zinc/23/30/84/185233084.db2.gz KCMIDVFPPPBVOK-SSDOTTSWSA-N 1 0 321.182 2.119 10 0 DEAERO C[NH2+][C@H](Cc1ccc(F)cc1Br)[C@H]1COCCO1 ZINC000087857506 185233522 /nfs/dbraw/zinc/23/35/22/185233522.db2.gz SJOPXUJUWACORQ-CHWSQXEVSA-N 1 0 318.186 2.134 10 0 DEAERO CCN(c1nc(NN)[nH+]cc1Br)C1CCCC1 ZINC000087853824 185233714 /nfs/dbraw/zinc/23/37/14/185233714.db2.gz NMWSFDLMVAWEJJ-UHFFFAOYSA-N 1 0 300.204 2.294 10 0 DEAERO Cc1cc(NCc2ccccc2Br)nc(NN)[nH+]1 ZINC000087864121 185233783 /nfs/dbraw/zinc/23/37/83/185233783.db2.gz JHCRAVQTSHGDQK-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(Br)cc1)[C@@H]1COCCO1 ZINC000087858102 185233903 /nfs/dbraw/zinc/23/39/03/185233903.db2.gz TYYHBUBNQIJAOP-KBPBESRZSA-N 1 0 314.223 2.385 10 0 DEAERO [NH3+]C[C@@H]1CC(=O)N(c2c(F)cc(Br)cc2F)C1 ZINC000088172836 185240861 /nfs/dbraw/zinc/24/08/61/185240861.db2.gz JKKQVVAWVNQUPV-LURJTMIESA-N 1 0 305.122 2.039 10 0 DEAERO O=S(=O)(Nc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000088171777 185241033 /nfs/dbraw/zinc/24/10/33/185241033.db2.gz ZQPUKCDPMRPNFI-MRVPVSSYSA-N 1 0 309.218 2.487 10 0 DEAERO Nc1nc(CCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000088193199 185241410 /nfs/dbraw/zinc/24/14/10/185241410.db2.gz LYJCIGAQZNUSGT-UHFFFAOYSA-N 1 0 302.447 2.086 10 0 DEAERO COC[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1Br ZINC000088122561 185239951 /nfs/dbraw/zinc/23/99/51/185239951.db2.gz DLSJEWLIJMTXGO-QMMMGPOBSA-N 1 0 307.575 2.015 10 0 DEAERO CC[C@H](C[NH3+])S(=O)(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000088471777 185252037 /nfs/dbraw/zinc/25/20/37/185252037.db2.gz CCKQGMXETSTHSV-SNVBAGLBSA-N 1 0 312.313 2.064 10 0 DEAERO CCCCc1nc(Cl)c(CNCC[N@H+](C)CCOC)[nH]1 ZINC000088399233 185248426 /nfs/dbraw/zinc/24/84/26/185248426.db2.gz LAFFYBIVROSMGB-UHFFFAOYSA-N 1 0 302.850 2.074 10 0 DEAERO Brc1cnc(N2CC[NH2+]CC23CCCCC3)nc1 ZINC000088396686 185248440 /nfs/dbraw/zinc/24/84/40/185248440.db2.gz YQNUETUAXXLSCT-UHFFFAOYSA-N 1 0 311.227 2.352 10 0 DEAERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(N)c1 ZINC000088417044 185249135 /nfs/dbraw/zinc/24/91/35/185249135.db2.gz QTUCSQQXCIPGOX-LLVKDONJSA-N 1 0 301.312 2.142 10 0 DEAERO NC(=O)c1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(N)c1 ZINC000088417339 185249221 /nfs/dbraw/zinc/24/92/21/185249221.db2.gz RZZPELHCLDJXIN-UHFFFAOYSA-N 1 0 301.312 2.142 10 0 DEAERO CCOC(=O)[C@](C)(N)CCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000088435553 185250341 /nfs/dbraw/zinc/25/03/41/185250341.db2.gz XEHAGUKBVMNNPX-CYBMUJFWSA-N 1 0 310.360 2.321 10 0 DEAERO CCN[C@](C)(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000088435343 185250561 /nfs/dbraw/zinc/25/05/61/185250561.db2.gz KZONAKMFUFUFOR-WCQYABFASA-N 1 0 310.360 2.192 10 0 DEAERO CC[NH2+][C@](CO)(CN(C)CCC(F)(F)F)c1ccccc1 ZINC000088439526 185250799 /nfs/dbraw/zinc/25/07/99/185250799.db2.gz VIBAWSFVNIEDJP-AWEZNQCLSA-N 1 0 304.356 2.368 10 0 DEAERO C[NH2+]CCCc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H]2C)cc1 ZINC000165738082 197681276 /nfs/dbraw/zinc/68/12/76/197681276.db2.gz FDMFBCNXKJMRKZ-KBPBESRZSA-N 1 0 310.463 2.258 10 0 DEAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)S(=O)(=O)CCCOC ZINC000081986156 192348851 /nfs/dbraw/zinc/34/88/51/192348851.db2.gz NKAXFHLFHCLJNL-HOCLYGCPSA-N 1 0 313.463 2.485 10 0 DEAERO C[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)S(=O)(=O)CCCOC ZINC000081985745 192349000 /nfs/dbraw/zinc/34/90/00/192349000.db2.gz JPKPHCZEAQIEFK-JKSUJKDBSA-N 1 0 313.463 2.423 10 0 DEAERO Cc1cc(C)c2c(N)c(C(=O)N3CCC([NH3+])CC3)sc2n1 ZINC000088641256 185260652 /nfs/dbraw/zinc/26/06/52/185260652.db2.gz IQFCVWLJHFUVMG-UHFFFAOYSA-N 1 0 304.419 2.059 10 0 DEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C)nn3)C2)C1(C)C ZINC000329288989 231490485 /nfs/dbraw/zinc/49/04/85/231490485.db2.gz QFZCBAXJDDWOPN-MUIFIZLQSA-N 1 0 318.465 2.403 10 0 DEAERO CCOC(=O)[C@@H]1C[NH2+]CCN1[C@@H](C)c1ccc(Cl)s1 ZINC000088658014 185261881 /nfs/dbraw/zinc/26/18/81/185261881.db2.gz WUJAOHZZLAQMHB-UWVGGRQHSA-N 1 0 302.827 2.299 10 0 DEAERO CCOC(=O)[C@H]1C[NH2+]CCN1[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000088657783 185261928 /nfs/dbraw/zinc/26/19/28/185261928.db2.gz QYSSRLZBZBFRSD-IINYFYTJSA-N 1 0 314.788 2.377 10 0 DEAERO COCC[NH2+]CCCc1nnc(Cc2ccc(F)cc2)s1 ZINC000088813306 185266417 /nfs/dbraw/zinc/26/64/17/185266417.db2.gz QNHPIARSVHQZID-UHFFFAOYSA-N 1 0 309.410 2.437 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)Cc1cccc(C)c1 ZINC000081984212 192349945 /nfs/dbraw/zinc/34/99/45/192349945.db2.gz KQIAAIGUNMCLRT-JKSUJKDBSA-N 1 0 311.447 2.067 10 0 DEAERO CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081990568 192350759 /nfs/dbraw/zinc/35/07/59/192350759.db2.gz CIXBYAFOZWKBKN-ZIAGYGMSSA-N 1 0 303.468 2.137 10 0 DEAERO CCC[NH2+][C@@H]1CCCCCC[C@H]1S(=O)(=O)CC(=O)OCC ZINC000082009981 192353465 /nfs/dbraw/zinc/35/34/65/192353465.db2.gz LKVQJWNCTJGNTF-ZIAGYGMSSA-N 1 0 319.467 2.055 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)CO)c1cc2cc(Br)ccc2o1 ZINC000090282335 185289463 /nfs/dbraw/zinc/28/94/63/185289463.db2.gz VQJDSDMXTQQEBU-GZMMTYOYSA-N 1 0 314.179 2.199 10 0 DEAERO CCCN(C(=O)Cc1ccc(Br)cc1)C1C[NH2+]C1 ZINC000090293049 185289495 /nfs/dbraw/zinc/28/94/95/185289495.db2.gz CDZVUZOPLIVKJQ-UHFFFAOYSA-N 1 0 311.223 2.202 10 0 DEAERO Clc1ccc(CN2CCN(C3C[NH2+]C3)CC2)cc1Cl ZINC000090306601 185290243 /nfs/dbraw/zinc/29/02/43/185290243.db2.gz XKUTWVCDDWDUNK-UHFFFAOYSA-N 1 0 300.233 2.083 10 0 DEAERO C[C@H](c1cccc(Br)c1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306264 185290372 /nfs/dbraw/zinc/29/03/72/185290372.db2.gz WTSOJSJLWOXDNC-GFCCVEGCSA-N 1 0 324.266 2.100 10 0 DEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000090327326 185291181 /nfs/dbraw/zinc/29/11/81/185291181.db2.gz ZQFCDWJNJSJGQF-RTXFEEFZSA-N 1 0 308.809 2.151 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1cccc(Cl)c1 ZINC000090332915 185291692 /nfs/dbraw/zinc/29/16/92/185291692.db2.gz PMBLWQIVEMCHGV-BYCMXARLSA-N 1 0 307.825 2.208 10 0 DEAERO C[C@@H](CC[NH3+])SCC(=O)NC(=O)c1ccc(Cl)cc1 ZINC000090354904 185292374 /nfs/dbraw/zinc/29/23/74/185292374.db2.gz PQBXGPWGOSWGBB-VIFPVBQESA-N 1 0 300.811 2.067 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000090487242 185298918 /nfs/dbraw/zinc/29/89/18/185298918.db2.gz JGJQOFHDXATMSI-ZWNOBZJWSA-N 1 0 312.797 2.220 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(Cl)ccc1OCC ZINC000090489816 185298972 /nfs/dbraw/zinc/29/89/72/185298972.db2.gz GEJZWFPAJOPMBV-DGCLKSJQSA-N 1 0 312.797 2.302 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000090490074 185299042 /nfs/dbraw/zinc/29/90/42/185299042.db2.gz BXTBYZOLSBKOBY-TUKIKUTGSA-N 1 0 310.825 2.484 10 0 DEAERO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1COC[C@@H]1[NH3+] ZINC000090382175 185293747 /nfs/dbraw/zinc/29/37/47/185293747.db2.gz HLROCZJSWHXLJB-DYLAAIIWSA-N 1 0 317.216 2.487 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000090436282 185296105 /nfs/dbraw/zinc/29/61/05/185296105.db2.gz OKJBJMYJHIBZES-KWQFWETISA-N 1 0 306.259 2.017 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000090433783 185296255 /nfs/dbraw/zinc/29/62/55/185296255.db2.gz ZIPKIHQGTARFCT-MFKMUULPSA-N 1 0 305.765 2.061 10 0 DEAERO CCCOc1ccc(NC(=O)[C@@H]2COC[C@H]2[NH2+]C)cc1Cl ZINC000090434326 185296453 /nfs/dbraw/zinc/29/64/53/185296453.db2.gz JUZQDJNOOUZHKJ-DGCLKSJQSA-N 1 0 312.797 2.302 10 0 DEAERO C[C@]1(C(=O)Nc2c3ncsc3ccc2Cl)COC[C@H]1[NH3+] ZINC000090585550 185305043 /nfs/dbraw/zinc/30/50/43/185305043.db2.gz FYFJPIUUMPLDIJ-RNCFNFMXSA-N 1 0 311.794 2.252 10 0 DEAERO CCCOc1ccc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])cc1Cl ZINC000090590084 185305335 /nfs/dbraw/zinc/30/53/35/185305335.db2.gz GZGIEFHJYZSYQN-ZFWWWQNUSA-N 1 0 312.797 2.431 10 0 DEAERO C[C@]1(C(=O)Nc2cccc(-c3nccs3)c2)COC[C@H]1[NH3+] ZINC000090589994 185305387 /nfs/dbraw/zinc/30/53/87/185305387.db2.gz GNVZRIPFQMFDHV-DOMZBBRYSA-N 1 0 303.387 2.112 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090591496 185305480 /nfs/dbraw/zinc/30/54/80/185305480.db2.gz BYHSKWLZURGGFM-OCCSQVGLSA-N 1 0 317.216 2.316 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000090543421 185302075 /nfs/dbraw/zinc/30/20/75/185302075.db2.gz WBRRNIBUNDUVTJ-CABCVRRESA-N 1 0 310.825 2.013 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(F)cc(F)c1F ZINC000090544845 185302222 /nfs/dbraw/zinc/30/22/22/185302222.db2.gz RPULISOGXIXFMB-JOYOIKCWSA-N 1 0 302.296 2.057 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2cccnc2C(F)(F)F)CC1 ZINC000179498014 282227374 /nfs/dbraw/zinc/22/73/74/282227374.db2.gz QMZSVVPVZGWRHH-UHFFFAOYSA-N 1 0 301.312 2.267 10 0 DEAERO C[C@H](Oc1ccccc1)C(=O)N1CCCSC[C@@H]1C[NH+](C)C ZINC000090699924 185310344 /nfs/dbraw/zinc/31/03/44/185310344.db2.gz LOAKKQBORCVDHK-GJZGRUSLSA-N 1 0 322.474 2.350 10 0 DEAERO COc1ccc(CC(=O)N2CCCSC[C@H]2C[NH+](C)C)cc1 ZINC000090699954 185310683 /nfs/dbraw/zinc/31/06/83/185310683.db2.gz WXLOVQVOKUVFEE-OAHLLOKOSA-N 1 0 322.474 2.133 10 0 DEAERO CC[C@@](C)([C@@H](O)Cc1ccc(Br)cn1)[NH+](C)C ZINC000167331833 197706670 /nfs/dbraw/zinc/70/66/70/197706670.db2.gz DHOXKZVKXBPGRV-STQMWFEESA-N 1 0 301.228 2.478 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000092457785 185320053 /nfs/dbraw/zinc/32/00/53/185320053.db2.gz HGDYNEQTPQZZAM-HNNXBMFYSA-N 1 0 318.417 2.466 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnc(NC)c(Cl)c1 ZINC000092674762 185332990 /nfs/dbraw/zinc/33/29/90/185332990.db2.gz YXRYCUXYLIBREX-LBPRGKRZSA-N 1 0 310.829 2.333 10 0 DEAERO CCNc1ccc(Cl)c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000092674215 185333255 /nfs/dbraw/zinc/33/32/55/185333255.db2.gz YHVMTIZQIUJGRB-NSHDSACASA-N 1 0 310.829 2.333 10 0 DEAERO Cc1nn(-c2ccccn2)c(C)c1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000262000782 282249593 /nfs/dbraw/zinc/24/95/93/282249593.db2.gz UAQYDZDZWHUMLW-IYBDPMFKSA-N 1 0 311.433 2.210 10 0 DEAERO COc1c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c(C)nn1C ZINC000092812733 185343604 /nfs/dbraw/zinc/34/36/04/185343604.db2.gz JQCMEWGGXOFFDH-CQSZACIVSA-N 1 0 315.421 2.066 10 0 DEAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000187275243 290055896 /nfs/dbraw/zinc/05/58/96/290055896.db2.gz CMYOTPMBPCYOKA-RRQGHBQHSA-N 1 0 323.458 2.320 10 0 DEAERO [NH3+][C@@H]1CCO[C@@H]1c1cc(Br)c2c(c1)OCCCO2 ZINC000092888672 185347941 /nfs/dbraw/zinc/34/79/41/185347941.db2.gz NXZTXESMFQLWPV-ZYHUDNBSSA-N 1 0 314.179 2.399 10 0 DEAERO COc1cc(Br)c([C@H]2OCC[C@H]2[NH3+])cc1OC ZINC000092888660 185348002 /nfs/dbraw/zinc/34/80/02/185348002.db2.gz RFVGHPKMNPKSAF-BXKDBHETSA-N 1 0 302.168 2.255 10 0 DEAERO COc1ccc(F)cc1CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000186298371 282271573 /nfs/dbraw/zinc/27/15/73/282271573.db2.gz MZLUWUGJKNTNTO-CYBMUJFWSA-N 1 0 323.412 2.365 10 0 DEAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000092951637 185350384 /nfs/dbraw/zinc/35/03/84/185350384.db2.gz BQFYHOGHMUTITN-MNOVXSKESA-N 1 0 304.781 2.462 10 0 DEAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)[C@H](C)S(C)(=O)=O ZINC000168589114 197726086 /nfs/dbraw/zinc/72/60/86/197726086.db2.gz SNWAECZYKMFEIU-TVQRCGJNSA-N 1 0 307.818 2.433 10 0 DEAERO O[C@@H](C[NH2+]C[C@@H]1CCCO1)COc1ccc2ccccc2c1 ZINC000027529538 539332088 /nfs/dbraw/zinc/33/20/88/539332088.db2.gz RACCZLIUMAGKHB-WMZOPIPTSA-N 1 0 301.386 2.348 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000188544107 282304549 /nfs/dbraw/zinc/30/45/49/282304549.db2.gz MIAAENLGKRQPFN-CYBMUJFWSA-N 1 0 321.421 2.460 10 0 DEAERO Cc1cc(CC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)cc(C)c1O ZINC000190393883 282319876 /nfs/dbraw/zinc/31/98/76/282319876.db2.gz MMVMFIRNEBPJLL-UHFFFAOYSA-N 1 0 315.417 2.371 10 0 DEAERO COC(=O)C(C)(C)[C@@H]([NH2+]C[C@H](O)CSC)c1ccccc1 ZINC000614567746 362410021 /nfs/dbraw/zinc/41/00/21/362410021.db2.gz LJHWGIHIKOMXGL-KBPBESRZSA-N 1 0 311.447 2.240 10 0 DEAERO C[C@H]1C[NH+](CCCNC(=O)c2scnc2C2CC2)C[C@H](C)O1 ZINC000089658635 539411731 /nfs/dbraw/zinc/41/17/31/539411731.db2.gz ZWJVZKHNUSXAGI-RYUDHWBXSA-N 1 0 323.462 2.250 10 0 DEAERO O[C@@H](C[NH2+]CC1CC(O)C1)COc1ccc(Cl)cc1Cl ZINC000091525480 539419572 /nfs/dbraw/zinc/41/95/72/539419572.db2.gz JDCLIQJLZFSUPS-NHNAUAITSA-N 1 0 320.216 2.094 10 0 DEAERO Fc1ccc2oc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)nc2c1 ZINC000119297864 539444829 /nfs/dbraw/zinc/44/48/29/539444829.db2.gz BURSDHUKDBTLTF-LBPRGKRZSA-N 1 0 315.352 2.471 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](COC)c2ccccc2)C1 ZINC000245392620 282384605 /nfs/dbraw/zinc/38/46/05/282384605.db2.gz BDUUTUNCBCUDDM-JKSUJKDBSA-N 1 0 305.422 2.158 10 0 DEAERO CO[C@]1(C)C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1(C)C ZINC000245481911 282391154 /nfs/dbraw/zinc/39/11/54/282391154.db2.gz CVJNBOFXBANWPT-VWPFQQQWSA-N 1 0 311.470 2.314 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(CCO)CCOC1)CCCO2 ZINC000125477907 539472785 /nfs/dbraw/zinc/47/27/85/539472785.db2.gz CYCPGQZTZYDUFY-SJLPKXTDSA-N 1 0 321.417 2.288 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000279541202 214954118 /nfs/dbraw/zinc/95/41/18/214954118.db2.gz QCLXIATYWMHRDF-CQSZACIVSA-N 1 0 317.433 2.131 10 0 DEAERO COc1ccccc1N(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246755 185563612 /nfs/dbraw/zinc/56/36/12/185563612.db2.gz NIYYFMWGINJGGZ-CYBMUJFWSA-N 1 0 302.296 2.200 10 0 DEAERO CCS(=O)(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000127588396 539482585 /nfs/dbraw/zinc/48/25/85/539482585.db2.gz DJVYQHBVVFYQRE-VIFPVBQESA-N 1 0 310.872 2.382 10 0 DEAERO COc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1OC(F)F ZINC000111266917 185568385 /nfs/dbraw/zinc/56/83/85/185568385.db2.gz OCSKHLYOXGKNND-PSASIEDQSA-N 1 0 300.305 2.091 10 0 DEAERO COC(=O)CC1(CC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CCCC1 ZINC000615565971 362642051 /nfs/dbraw/zinc/64/20/51/362642051.db2.gz ZSHMZJKANYJZFM-AWEZNQCLSA-N 1 0 324.465 2.347 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cc(Br)ccc1O ZINC000136488520 539517663 /nfs/dbraw/zinc/51/76/63/539517663.db2.gz JZPAMJJJVYELLF-SECBINFHSA-N 1 0 301.184 2.467 10 0 DEAERO CC[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000111713809 185628870 /nfs/dbraw/zinc/62/88/70/185628870.db2.gz JATFJSYRFGAEDB-OLZOCXBDSA-N 1 0 314.426 2.224 10 0 DEAERO Cc1nscc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000181822991 199357660 /nfs/dbraw/zinc/35/76/60/199357660.db2.gz AXIPWFIAPBEZMF-AWEZNQCLSA-N 1 0 303.431 2.354 10 0 DEAERO CC(C)OC1CCC(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000151984822 539533824 /nfs/dbraw/zinc/53/38/24/539533824.db2.gz AKGJZWXIEVMVPC-AQFXKWCLSA-N 1 0 321.465 2.378 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1OCCc2ccccc21 ZINC000123818858 185845202 /nfs/dbraw/zinc/84/52/02/185845202.db2.gz VECAGOCHGDJJLR-WBVHZDCISA-N 1 0 302.418 2.243 10 0 DEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC000162458886 539597153 /nfs/dbraw/zinc/59/71/53/539597153.db2.gz BURWDFXSGOAFBA-HIFRSBDPSA-N 1 0 320.481 2.450 10 0 DEAERO CCC[C@@H](OC)[C@@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000126566611 185874728 /nfs/dbraw/zinc/87/47/28/185874728.db2.gz PFMKSNBPPRZQQY-GXSJLCMTSA-N 1 0 304.232 2.176 10 0 DEAERO CC(C)[NH2+]C[C@@H](O)C[S@](=O)c1cc(Cl)ccc1Cl ZINC000126661279 185882511 /nfs/dbraw/zinc/88/25/11/185882511.db2.gz KABCLVFPKLZWGM-MLCYQJTMSA-N 1 0 310.246 2.460 10 0 DEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C(=O)c1ccc(C(F)(F)F)nc1 ZINC000070153036 190863305 /nfs/dbraw/zinc/86/33/05/190863305.db2.gz HKUHCVCGYNKHBI-KOLCDFICSA-N 1 0 301.312 2.442 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(C[NH3+])o1 ZINC000168313403 539611986 /nfs/dbraw/zinc/61/19/86/539611986.db2.gz ALTGFBBUTWZXJU-CYBMUJFWSA-N 1 0 302.378 2.066 10 0 DEAERO CCOC(=O)c1c(NC(=O)CCCC[NH3+])sc2c1CCC2 ZINC000070203389 190871549 /nfs/dbraw/zinc/87/15/49/190871549.db2.gz IKFHXZPWXJMOBP-UHFFFAOYSA-N 1 0 310.419 2.481 10 0 DEAERO C[NH2+]CCN(C)C(=O)c1cc2cccc(Br)c2o1 ZINC000070303538 190879840 /nfs/dbraw/zinc/87/98/40/190879840.db2.gz HMWPUKCLPDYOFY-UHFFFAOYSA-N 1 0 311.179 2.487 10 0 DEAERO [NH3+]C[C@H]1OCCN(C2CC2)[C@@H]1c1ccccc1Br ZINC000070289006 190877408 /nfs/dbraw/zinc/87/74/08/190877408.db2.gz JZRDJLHPDWVQTG-ZIAGYGMSSA-N 1 0 311.223 2.312 10 0 DEAERO CCN1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc(Br)cc1F ZINC000070293088 190877791 /nfs/dbraw/zinc/87/77/91/190877791.db2.gz DDJOKZSQCFNHBP-PWSUYJOCSA-N 1 0 301.159 2.209 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](Nc2ccccn2)C1 ZINC000616612458 362897993 /nfs/dbraw/zinc/89/79/93/362897993.db2.gz NZSOLCPTRCSSOG-ZDUSSCGKSA-N 1 0 306.410 2.093 10 0 DEAERO CC(C)(C)OC(=O)Nc1cccc([C@@H]2C[NH2+]CCN2C(N)=O)c1 ZINC000616638212 362901545 /nfs/dbraw/zinc/90/15/45/362901545.db2.gz HEQIOQYRRGBTNF-ZDUSSCGKSA-N 1 0 320.393 2.059 10 0 DEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cccc(CCO)c1 ZINC000616637016 362901786 /nfs/dbraw/zinc/90/17/86/362901786.db2.gz OBMCBZHBLXZSDS-OAHLLOKOSA-N 1 0 306.406 2.103 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](n2cccn2)C1 ZINC000616627550 362900847 /nfs/dbraw/zinc/90/08/47/362900847.db2.gz KOENEXANBUNERA-AWEZNQCLSA-N 1 0 308.426 2.435 10 0 DEAERO O[C@@H]1CCCC[C@H]1[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000179286522 539640188 /nfs/dbraw/zinc/64/01/88/539640188.db2.gz RPTONQJAMOOVIQ-HUUCEWRRSA-N 1 0 301.390 2.253 10 0 DEAERO C[C@@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccc(F)c(F)c1 ZINC000181625209 539652324 /nfs/dbraw/zinc/65/23/24/539652324.db2.gz GVFNFPGUELCYNA-SECBINFHSA-N 1 0 304.300 2.152 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COC2CCOCC2)cc1F ZINC000181343568 539651114 /nfs/dbraw/zinc/65/11/14/539651114.db2.gz ZJUWBXGYVHNVPA-ZFWWWQNUSA-N 1 0 311.397 2.341 10 0 DEAERO CC(C)[NH2+][C@@](C)(CO)C[C@@H](C)Sc1nnc(N(C)C)s1 ZINC000070519896 190903050 /nfs/dbraw/zinc/90/30/50/190903050.db2.gz TVNHHYYOMXDFLE-ZWNOBZJWSA-N 1 0 318.512 2.224 10 0 DEAERO C[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)[C@H]1CCCO1 ZINC000183127039 539659417 /nfs/dbraw/zinc/65/94/17/539659417.db2.gz FECXZVPHSQGCSQ-GXSJLCMTSA-N 1 0 319.430 2.130 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000070575137 190907165 /nfs/dbraw/zinc/90/71/65/190907165.db2.gz OZIRHCFLPQDSQS-KOLCDFICSA-N 1 0 309.797 2.156 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cncc(Br)c1 ZINC000083550531 192372681 /nfs/dbraw/zinc/37/26/81/192372681.db2.gz DJSIFRIPTUMFCY-GXFFZTMASA-N 1 0 324.222 2.153 10 0 DEAERO C[C@H]([NH3+])c1cc(Br)ccc1O[C@H]1CCN(C)C1=O ZINC000071183106 190938228 /nfs/dbraw/zinc/93/82/28/190938228.db2.gz XQXKXKMOMGAUJW-UFBFGSQYSA-N 1 0 313.195 2.078 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)c2ccccc21 ZINC000186167301 539674231 /nfs/dbraw/zinc/67/42/31/539674231.db2.gz IEABJODWVFETAD-HOTGVXAUSA-N 1 0 323.458 2.436 10 0 DEAERO O=C1[C@@H]([NH2+][C@H]2CCCOC2)CCCN1Cc1ccc(F)cc1F ZINC000191647634 539702873 /nfs/dbraw/zinc/70/28/73/539702873.db2.gz OXQFOWKLQRIYQN-HOCLYGCPSA-N 1 0 324.371 2.224 10 0 DEAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000192479918 539707091 /nfs/dbraw/zinc/70/70/91/539707091.db2.gz FLMWRGFTVSKNDN-CYBMUJFWSA-N 1 0 315.417 2.058 10 0 DEAERO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H](C)N1CCOCC1 ZINC000194840468 539719552 /nfs/dbraw/zinc/71/95/52/539719552.db2.gz XUGHOBLFNQJFQW-YOEHRIQHSA-N 1 0 304.434 2.383 10 0 DEAERO Cc1ccc(C)c(OC[C@@H](O)CN2CCC([NH+](C)C)CC2)c1C ZINC000193812340 539714349 /nfs/dbraw/zinc/71/43/49/539714349.db2.gz XCFDFTLHOIMMHX-SFHVURJKSA-N 1 0 320.477 2.378 10 0 DEAERO COc1ccccc1N(CCC[NH3+])S(=O)(=O)CC(C)(C)C ZINC000083805428 192383931 /nfs/dbraw/zinc/38/39/31/192383931.db2.gz JTFSGUMUPHCIFI-UHFFFAOYSA-N 1 0 314.451 2.226 10 0 DEAERO CCOc1ccccc1[C@@H](C[S@@](=O)C1CCOCC1)[NH2+]C ZINC000084055005 192397474 /nfs/dbraw/zinc/39/74/74/192397474.db2.gz KDCGNEXOMKOBJV-VFNWGFHPSA-N 1 0 311.447 2.274 10 0 DEAERO [NH3+][C@H](C[S@@](=O)C1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000084054852 192398172 /nfs/dbraw/zinc/39/81/72/192398172.db2.gz NKQUNDZKGKKICE-XJCZELEMSA-N 1 0 311.491 2.458 10 0 DEAERO C/C=C\c1ccc(OCC(=O)NCCC[NH+](C)C)c(OC)c1 ZINC000211774885 539724431 /nfs/dbraw/zinc/72/44/31/539724431.db2.gz DSCSUOMHJHFQFB-ALCCZGGFSA-N 1 0 306.406 2.175 10 0 DEAERO CC[NH+](CC)CCCN(C[C@H](C)C(=O)OC)C(=O)C=C(C)C ZINC000071658796 190997507 /nfs/dbraw/zinc/99/75/07/190997507.db2.gz BTESOOIHWICVBT-HNNXBMFYSA-N 1 0 312.454 2.322 10 0 DEAERO CC[C@@H](C)NC(=O)Cn1c2ccc(F)cc2nc1[C@H]([NH3+])CC ZINC000071664534 191000091 /nfs/dbraw/zinc/00/00/91/191000091.db2.gz MQHOQMSICLOLSB-ZYHUDNBSSA-N 1 0 306.385 2.500 10 0 DEAERO CCC(=O)N1C[C@@H](C)Oc2ccc(C(=O)[C@H]3CCC[NH2+]C3)cc21 ZINC000071676074 191006106 /nfs/dbraw/zinc/00/61/06/191006106.db2.gz WKFMOMMMAQXAQA-OCCSQVGLSA-N 1 0 316.401 2.393 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1cc(Br)ccc1N ZINC000071697791 191008802 /nfs/dbraw/zinc/00/88/02/191008802.db2.gz UJCLDYYQZGDMNH-UHFFFAOYSA-N 1 0 314.227 2.103 10 0 DEAERO COC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1CCOC2(CCSCC2)C1 ZINC000133694485 186007894 /nfs/dbraw/zinc/00/78/94/186007894.db2.gz PUQGDISYSLZOEU-ZIAGYGMSSA-N 1 0 313.463 2.459 10 0 DEAERO NC(=O)c1cc(Cl)ccc1N1CCC([NH2+]CC2CC2)CC1 ZINC000133706449 186008897 /nfs/dbraw/zinc/00/88/97/186008897.db2.gz AQYLNFLRHJZIIA-UHFFFAOYSA-N 1 0 307.825 2.407 10 0 DEAERO C[C@](C[NH3+])(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C1CC1 ZINC000133719430 186009386 /nfs/dbraw/zinc/00/93/86/186009386.db2.gz PGFVTTWIZFKENU-CYBMUJFWSA-N 1 0 308.250 2.239 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CCCC[C@H]2C)c1 ZINC000138257589 186015778 /nfs/dbraw/zinc/01/57/78/186015778.db2.gz XKJPNRGEPSFRMP-SNVBAGLBSA-N 1 0 318.389 2.247 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)C2CC2)c1 ZINC000138440005 186017074 /nfs/dbraw/zinc/01/70/74/186017074.db2.gz WUPYXCGLGRQECJ-UHFFFAOYSA-N 1 0 318.389 2.247 10 0 DEAERO CCC[C@H](C)N(C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138530411 186017639 /nfs/dbraw/zinc/01/76/39/186017639.db2.gz HNNXRCDZNFLUTM-VIFPVBQESA-N 1 0 306.378 2.233 10 0 DEAERO CCCNS(=O)(=O)c1cc(C[NH2+]C(C)C)cc(F)c1F ZINC000138594174 186017893 /nfs/dbraw/zinc/01/78/93/186017893.db2.gz DNEXTVCPWAHFKP-UHFFFAOYSA-N 1 0 306.378 2.151 10 0 DEAERO CSc1cc2c(cc1C[NH2+]CCc1ncc[nH]1)OCCO2 ZINC000139204021 186021150 /nfs/dbraw/zinc/02/11/50/186021150.db2.gz KDINYZQNERJVHA-UHFFFAOYSA-N 1 0 305.403 2.235 10 0 DEAERO C[C@@H](C[NH3+])CCc1nc(-c2ncccc2Br)no1 ZINC000139898142 186024498 /nfs/dbraw/zinc/02/44/98/186024498.db2.gz LQZYGWYMSICMOL-MRVPVSSYSA-N 1 0 311.183 2.422 10 0 DEAERO CC[C@@H]1N[C@H](c2ccsc2)N(C[C@@H]2CCC[N@@H+]2CC)C1=O ZINC000140311000 186025910 /nfs/dbraw/zinc/02/59/10/186025910.db2.gz GMEXUMAGBVZHRL-KKUMJFAQSA-N 1 0 307.463 2.441 10 0 DEAERO COCC[N@@H+]1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072169596 191067550 /nfs/dbraw/zinc/06/75/50/191067550.db2.gz ZDYSKOWBTPROLY-IPMKNSEASA-N 1 0 316.445 2.204 10 0 DEAERO C[NH+](C)CCn1ncc(Cl)c1C(=O)CCc1ccncc1 ZINC000140845592 186028456 /nfs/dbraw/zinc/02/84/56/186028456.db2.gz FCIZWAXJCQVTST-UHFFFAOYSA-N 1 0 306.797 2.309 10 0 DEAERO Cc1cc(N)c(C(=O)Nc2ccncc2Br)c[nH+]1 ZINC000147811001 186042160 /nfs/dbraw/zinc/04/21/60/186042160.db2.gz IOFAZVZSSGYCQO-UHFFFAOYSA-N 1 0 307.151 2.382 10 0 DEAERO NC(=O)N1CCC([NH2+]Cc2sccc2Br)CC1 ZINC000147984862 186042581 /nfs/dbraw/zinc/04/25/81/186042581.db2.gz UMOOKEOWDJVFKL-UHFFFAOYSA-N 1 0 318.240 2.143 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NCCCCC(C)C)o1 ZINC000147896066 186042697 /nfs/dbraw/zinc/04/26/97/186042697.db2.gz SSBIKUHFMVHSQD-UHFFFAOYSA-N 1 0 302.440 2.494 10 0 DEAERO C[NH2+]C[C@H]1CCCN1C(=O)c1cnc(-c2ccncc2)s1 ZINC000262582148 282674801 /nfs/dbraw/zinc/67/48/01/282674801.db2.gz KTVCBAYPAFANDW-GFCCVEGCSA-N 1 0 302.403 2.029 10 0 DEAERO O=S(=O)(NCC(F)F)c1cc(C[NH2+]C2CC2)ccc1Cl ZINC000148188372 186043540 /nfs/dbraw/zinc/04/35/40/186043540.db2.gz YIJKOWYBEOIHAA-UHFFFAOYSA-N 1 0 324.780 2.135 10 0 DEAERO C[C@H]1OCC[C@]12C[NH+]=C(N)N2c1ccc(Br)cc1 ZINC000148449567 186044645 /nfs/dbraw/zinc/04/46/45/186044645.db2.gz FFIUWWMLFVRFBX-RNCFNFMXSA-N 1 0 310.195 2.131 10 0 DEAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000145768146 186037796 /nfs/dbraw/zinc/03/77/96/186037796.db2.gz BWFHYGSOBUCUDR-AEFFLSMTSA-N 1 0 319.493 2.338 10 0 DEAERO CC[NH2+][C@@H](c1sccc1Br)[C@@H]1CN(C)CCO1 ZINC000147271922 186039119 /nfs/dbraw/zinc/03/91/19/186039119.db2.gz DUIRMHQEGPGCHP-WDEREUQCSA-N 1 0 319.268 2.492 10 0 DEAERO CCOC[C@@H](O)C[NH2+][C@H](C)c1ccccc1Br ZINC000148922583 186046134 /nfs/dbraw/zinc/04/61/34/186046134.db2.gz ZZSQNEKNBBACKJ-MNOVXSKESA-N 1 0 302.212 2.497 10 0 DEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1Cc1sccc1Br ZINC000148892124 186046525 /nfs/dbraw/zinc/04/65/25/186046525.db2.gz WACRYOGISLJHHC-JTQLQIEISA-N 1 0 315.236 2.364 10 0 DEAERO CC[NH2+]C[C@@H](Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000149007500 186047103 /nfs/dbraw/zinc/04/71/03/186047103.db2.gz OCIKVHPIGVVDFN-QWHCGFSZSA-N 1 0 317.401 2.168 10 0 DEAERO [NH3+]Cc1c(F)cccc1NS(=O)(=O)CCc1ccccc1 ZINC000149267118 186048613 /nfs/dbraw/zinc/04/86/13/186048613.db2.gz NYRZZYGXEWBCJR-UHFFFAOYSA-N 1 0 308.378 2.269 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000149362567 186049770 /nfs/dbraw/zinc/04/97/70/186049770.db2.gz XYLMMOUJIPBOTN-CYBMUJFWSA-N 1 0 309.841 2.364 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000150152421 186054482 /nfs/dbraw/zinc/05/44/82/186054482.db2.gz WMGPDFVASNSXBP-RISCZKNCSA-N 1 0 319.829 2.434 10 0 DEAERO CC[NH2+][C@H](c1cnc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000150100392 186054711 /nfs/dbraw/zinc/05/47/11/186054711.db2.gz JNBCBNDLQRAHTI-CJNGLKHVSA-N 1 0 304.415 2.320 10 0 DEAERO CC[NH2+][C@H](c1ccc2cccnc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000150124520 186054874 /nfs/dbraw/zinc/05/48/74/186054874.db2.gz LTWLFHXRGGNUNS-GOEBONIOSA-N 1 0 304.415 2.320 10 0 DEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)NN2[C@H](C)CCC[C@@H]2C)c1 ZINC000148541983 186045138 /nfs/dbraw/zinc/04/51/38/186045138.db2.gz XIEBNHSHWWARNH-FRRDWIJNSA-N 1 0 311.451 2.163 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](COC)c1ccccc1 ZINC000171038428 197869457 /nfs/dbraw/zinc/86/94/57/197869457.db2.gz MHURYSFFDAZSKK-GDBMZVCRSA-N 1 0 307.438 2.404 10 0 DEAERO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152415244 186070641 /nfs/dbraw/zinc/07/06/41/186070641.db2.gz WSRPSTFRBZZBPM-STQMWFEESA-N 1 0 319.453 2.096 10 0 DEAERO C[C@H](NC(=O)c1coc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000269160097 539796659 /nfs/dbraw/zinc/79/66/59/539796659.db2.gz ARWSTNJAJRCAMV-IUCAKERBSA-N 1 0 301.184 2.160 10 0 DEAERO CCC[C@](F)(C[NH3+])c1c(Br)cnn1CCOC ZINC000164035249 186146216 /nfs/dbraw/zinc/14/62/16/186146216.db2.gz FBPQFVYFLPLSJK-NSHDSACASA-N 1 0 308.195 2.216 10 0 DEAERO CN(c1ncc(Br)cc1Br)C1C[NH2+]C1 ZINC000164032336 186146655 /nfs/dbraw/zinc/14/66/55/186146655.db2.gz QKJXXSVSYSKGIX-UHFFFAOYSA-N 1 0 321.016 2.015 10 0 DEAERO Cn1ncc(Br)c1C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000164077936 186148053 /nfs/dbraw/zinc/14/80/53/186148053.db2.gz NGEZTRSHBKYGCW-MIMYLULJSA-N 1 0 312.211 2.286 10 0 DEAERO COc1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)cc1OC(F)F ZINC000164082595 186148576 /nfs/dbraw/zinc/14/85/76/186148576.db2.gz UQIRZUXNHDLYBS-QMMMGPOBSA-N 1 0 300.305 2.091 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(Cl)c1-n1ccnc1)C1C[NH2+]C1 ZINC000163932293 186142982 /nfs/dbraw/zinc/14/29/82/186142982.db2.gz MUSRGWMEVZUZKA-SNVBAGLBSA-N 1 0 304.781 2.320 10 0 DEAERO COc1ccc(CCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000173285118 186171997 /nfs/dbraw/zinc/17/19/97/186171997.db2.gz KNGPVWPRSCSODL-HOCLYGCPSA-N 1 0 319.449 2.362 10 0 DEAERO C[N@@H+]1CCCN(c2ccc(C(F)(F)F)c(C(N)=S)c2)CC1 ZINC000164147469 186150690 /nfs/dbraw/zinc/15/06/90/186150690.db2.gz BJCXNEWEZKLQCB-UHFFFAOYSA-N 1 0 317.380 2.482 10 0 DEAERO COc1cnn(C(C)C)c1C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000164280943 186154420 /nfs/dbraw/zinc/15/44/20/186154420.db2.gz YIFBFOPMANLDQF-GFCCVEGCSA-N 1 0 305.300 2.197 10 0 DEAERO C[NH2+][C@H](c1cccc2cnccc21)[C@H]1CCCCS1(=O)=O ZINC000164322831 186155521 /nfs/dbraw/zinc/15/55/21/186155521.db2.gz PXVTUQPLQLNBHK-HZPDHXFCSA-N 1 0 304.415 2.463 10 0 DEAERO COCCN1CC[C@H]([NH3+])[C@@H]1c1ccc(C)cc1Br ZINC000164322576 186155549 /nfs/dbraw/zinc/15/55/49/186155549.db2.gz YDQLZCCNOJZION-KBPBESRZSA-N 1 0 313.239 2.478 10 0 DEAERO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)nn1-c1ccccc1 ZINC000171440272 186160654 /nfs/dbraw/zinc/16/06/54/186160654.db2.gz DWNOFVRTFLWBRY-KRWDZBQOSA-N 1 0 324.428 2.491 10 0 DEAERO COc1ccccc1[C@H](C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171480413 186166650 /nfs/dbraw/zinc/16/66/50/186166650.db2.gz CROQHNYSOOWRNH-HUUCEWRRSA-N 1 0 302.418 2.495 10 0 DEAERO Cc1ccc(OCCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173334888 186178055 /nfs/dbraw/zinc/17/80/55/186178055.db2.gz JBDLRHWQUIZCEQ-CVEARBPZSA-N 1 0 319.449 2.498 10 0 DEAERO COC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C)o1 ZINC000175689036 186188300 /nfs/dbraw/zinc/18/83/00/186188300.db2.gz ADNWDVYYPZBUKN-YUELXQCFSA-N 1 0 323.437 2.400 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000187991211 186240332 /nfs/dbraw/zinc/24/03/32/186240332.db2.gz INEVCNNMIGWWKB-RDTXWAMCSA-N 1 0 304.434 2.371 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@H](O)COCc2cccs2)C1 ZINC000188016423 186243829 /nfs/dbraw/zinc/24/38/29/186243829.db2.gz UHLHJLGJWUGDHE-IJEWVQPXSA-N 1 0 313.463 2.109 10 0 DEAERO CCc1cccc(OCC[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1 ZINC000253396285 186305028 /nfs/dbraw/zinc/30/50/28/186305028.db2.gz NCXJTAYQSJVUIF-GUDVDZBRSA-N 1 0 319.445 2.490 10 0 DEAERO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194251378 186273011 /nfs/dbraw/zinc/27/30/11/186273011.db2.gz KCHHREZOITWJKC-UHFFFAOYSA-N 1 0 316.405 2.088 10 0 DEAERO CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1OC ZINC000264247874 186325948 /nfs/dbraw/zinc/32/59/48/186325948.db2.gz OKMSSNFQLWDBJF-CYBMUJFWSA-N 1 0 306.406 2.118 10 0 DEAERO CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1OC ZINC000264247875 186326233 /nfs/dbraw/zinc/32/62/33/186326233.db2.gz OKMSSNFQLWDBJF-ZDUSSCGKSA-N 1 0 306.406 2.118 10 0 DEAERO c1ccc(CN2CCSC[C@@H]2C[NH2+]Cc2cncnc2)cc1 ZINC000276957984 539806650 /nfs/dbraw/zinc/80/66/50/539806650.db2.gz CUKPVIDNHLDKBM-KRWDZBQOSA-N 1 0 314.458 2.184 10 0 DEAERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCCOC3)C2)CC1 ZINC000171610490 197951438 /nfs/dbraw/zinc/95/14/38/197951438.db2.gz IUGXANFDSSEPRO-DLBZAZTESA-N 1 0 323.481 2.319 10 0 DEAERO c1sc(-c2ccccn2)nc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171884163 198001314 /nfs/dbraw/zinc/00/13/14/198001314.db2.gz SVIXCWWPXHWXDI-CQSZACIVSA-N 1 0 300.431 2.485 10 0 DEAERO O=C(NCCCc1cccc(F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171908219 198006528 /nfs/dbraw/zinc/00/65/28/198006528.db2.gz PKXVJUQOSURAAR-MRXNPFEDSA-N 1 0 305.397 2.248 10 0 DEAERO Cc1cnn(CCCCC[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171930458 198009957 /nfs/dbraw/zinc/00/99/57/198009957.db2.gz MJHADBJXZHUGHK-INIZCTEOSA-N 1 0 302.426 2.290 10 0 DEAERO CC[C@H]1CN(C(=O)NCc2ccsc2)CC[N@@H+]1CCOC ZINC000172324819 198079276 /nfs/dbraw/zinc/07/92/76/198079276.db2.gz HOLCXNMOKQRUBN-AWEZNQCLSA-N 1 0 311.451 2.000 10 0 DEAERO C/C(=C\C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000172305848 198076133 /nfs/dbraw/zinc/07/61/33/198076133.db2.gz LLYOSNFJEVOEQY-ISBHARSQSA-N 1 0 306.381 2.018 10 0 DEAERO O=C(NC1CC1)[C@@H](c1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172800438 198150557 /nfs/dbraw/zinc/15/05/57/198150557.db2.gz ZWRZWBABIIGNDI-QZTJIDSGSA-N 1 0 313.445 2.176 10 0 DEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000324433922 539906919 /nfs/dbraw/zinc/90/69/19/539906919.db2.gz CCWLQFNWTZSIJX-JSGCOSHPSA-N 1 0 301.814 2.076 10 0 DEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000324545574 539907472 /nfs/dbraw/zinc/90/74/72/539907472.db2.gz SUMSBLWBSVAWDB-BXUZGUMPSA-N 1 0 301.814 2.076 10 0 DEAERO CC[N@H+](CCC(=O)NC(C)C)CC(=O)Nc1c(C)cccc1C ZINC000172976184 198172329 /nfs/dbraw/zinc/17/23/29/198172329.db2.gz GLRZQSYYGYCRIV-UHFFFAOYSA-N 1 0 319.449 2.479 10 0 DEAERO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000072878310 191245759 /nfs/dbraw/zinc/24/57/59/191245759.db2.gz NHIXDDNAQOCDMQ-NXEZZACHSA-N 1 0 313.348 2.238 10 0 DEAERO COc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173188249 198193363 /nfs/dbraw/zinc/19/33/63/198193363.db2.gz IBPFTBGWEVHBRF-UKRRQHHQSA-N 1 0 305.422 2.319 10 0 DEAERO C[C@H](NC(=O)Nc1cnc2c(c1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000333111499 539948911 /nfs/dbraw/zinc/94/89/11/539948911.db2.gz GOFLXGARNASOLL-JSGCOSHPSA-N 1 0 302.422 2.470 10 0 DEAERO Cc1nc([C@H]2CCCN2C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cs1 ZINC000333649205 539966950 /nfs/dbraw/zinc/96/69/50/539966950.db2.gz JNAROWBNNDEUKG-SCDSUCTJSA-N 1 0 308.451 2.296 10 0 DEAERO c1c[nH]c([C@@H]([NH2+][C@@H]2CCc3nnnn3CC2)C2CCCCC2)n1 ZINC000333707447 539969713 /nfs/dbraw/zinc/96/97/13/539969713.db2.gz HXNROJMACJLFRH-HIFRSBDPSA-N 1 0 315.425 2.012 10 0 DEAERO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)n(C)n1 ZINC000333721914 539970302 /nfs/dbraw/zinc/97/03/02/539970302.db2.gz RQJNMLYFYNECTE-XJIUQZFPSA-N 1 0 302.422 2.035 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000333825816 539973396 /nfs/dbraw/zinc/97/33/96/539973396.db2.gz RWDQDAHDWFZKQC-FBUXBERBSA-N 1 0 307.825 2.493 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3sccc3C)C2=O)n(C)n1 ZINC000173852242 198259866 /nfs/dbraw/zinc/25/98/66/198259866.db2.gz LCPXJRDRZQCQET-CYBMUJFWSA-N 1 0 318.446 2.384 10 0 DEAERO COCc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173812222 198255648 /nfs/dbraw/zinc/25/56/48/198255648.db2.gz RNGZYMPZPYMXFC-PBHICJAKSA-N 1 0 319.449 2.457 10 0 DEAERO CCC[NH2+]C[C@@H](O)Cc1ccc(I)cc1 ZINC000084992956 192479346 /nfs/dbraw/zinc/47/93/46/192479346.db2.gz CDHGHAVZTILKJG-LBPRGKRZSA-N 1 0 319.186 2.194 10 0 DEAERO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000174004320 198279109 /nfs/dbraw/zinc/27/91/09/198279109.db2.gz IVLVLRWPPFJEIT-JSGCOSHPSA-N 1 0 323.412 2.458 10 0 DEAERO C[C@@H](C[NH2+]CC1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000182072413 199383009 /nfs/dbraw/zinc/38/30/09/199383009.db2.gz DUYIEXZCNBSHCQ-OAHLLOKOSA-N 1 0 324.490 2.126 10 0 DEAERO C[C@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1cccnc1 ZINC000174050405 198286089 /nfs/dbraw/zinc/28/60/89/198286089.db2.gz WMCJXGFOMJNLTI-HNNXBMFYSA-N 1 0 324.428 2.361 10 0 DEAERO Cc1ccc(CCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(C)c1 ZINC000174309368 198317926 /nfs/dbraw/zinc/31/79/26/198317926.db2.gz LUXCHKRVYHYGKT-IAGOWNOFSA-N 1 0 318.461 2.150 10 0 DEAERO CC[C@@H]1CN(C(=O)C[C@@H](C)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000174604697 198358026 /nfs/dbraw/zinc/35/80/26/198358026.db2.gz UQPIDZRTFGVZRC-JFIYKMOQSA-N 1 0 318.461 2.484 10 0 DEAERO CC[C@H]1CN(C[C@H](O)c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000174782619 198384399 /nfs/dbraw/zinc/38/43/99/198384399.db2.gz XHXNLUSSHDAJPV-ROUUACIJSA-N 1 0 306.450 2.071 10 0 DEAERO Fc1cc2c(c(F)c1F)[C@@H]([NH2+][C@@H]1CCc3nnnn3CC1)CC2 ZINC000333510891 282933988 /nfs/dbraw/zinc/93/39/88/282933988.db2.gz JCRJMHDZJHNKOJ-KOLCDFICSA-N 1 0 323.322 2.072 10 0 DEAERO CCC(C)(C)NC(=O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022807429 354055993 /nfs/dbraw/zinc/05/59/93/354055993.db2.gz YPOVLFHPUDNHCQ-UHFFFAOYSA-N 1 0 317.477 2.499 10 0 DEAERO CCCCCC(=O)NC[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000028264338 354100190 /nfs/dbraw/zinc/10/01/90/354100190.db2.gz SSJXDSZSOGYJMJ-HZPDHXFCSA-N 1 0 322.449 2.101 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000236782300 202006104 /nfs/dbraw/zinc/00/61/04/202006104.db2.gz BBIUYQABKCXAKX-BLVKFPJESA-N 1 0 302.827 2.284 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(C)c1C ZINC000176905175 198635629 /nfs/dbraw/zinc/63/56/29/198635629.db2.gz LYZUXEDVVAWHJQ-HNNXBMFYSA-N 1 0 317.433 2.185 10 0 DEAERO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)N1CCOCC1 ZINC000054994186 354480130 /nfs/dbraw/zinc/48/01/30/354480130.db2.gz NMUMBCFHTOLHFW-CQSZACIVSA-N 1 0 324.371 2.036 10 0 DEAERO Cc1cccc(N2CC[NH+](CCC(=O)NC(C)C)CC2)c1C ZINC000056397962 354531634 /nfs/dbraw/zinc/53/16/34/354531634.db2.gz KBEJPYSVRWKSDN-UHFFFAOYSA-N 1 0 303.450 2.340 10 0 DEAERO C[NH+]1CCC(NC(=O)CSc2ccc3c(c2)CCC3)CC1 ZINC000061031806 354622538 /nfs/dbraw/zinc/62/25/38/354622538.db2.gz AMHUGTQIWRMZJT-UHFFFAOYSA-N 1 0 304.459 2.478 10 0 DEAERO Cn1cc(C[NH2+][C@@H]2CC(=O)N(C)C2)c(-c2ccccc2Cl)n1 ZINC000066905814 354738501 /nfs/dbraw/zinc/73/85/01/354738501.db2.gz VDOCQIXCCGZJJJ-GFCCVEGCSA-N 1 0 318.808 2.061 10 0 DEAERO COC(=O)[C@H]1CCC[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000074087982 355004062 /nfs/dbraw/zinc/00/40/62/355004062.db2.gz YYIDONUIDUFCIJ-FVPDABNVSA-N 1 0 322.449 2.097 10 0 DEAERO COc1cccc(F)c1[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000074267402 355018669 /nfs/dbraw/zinc/01/86/69/355018669.db2.gz SYNDMDMBEQEKMD-VXGBXAGGSA-N 1 0 321.396 2.431 10 0 DEAERO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000073716780 191346453 /nfs/dbraw/zinc/34/64/53/191346453.db2.gz KHLBEYLOXCXGLC-GHMZBOCLSA-N 1 0 300.349 2.157 10 0 DEAERO CCc1cc2c(ncnc2N2CC[NH+]([C@@H](CC)CO)CC2)s1 ZINC000078524642 355266126 /nfs/dbraw/zinc/26/61/26/355266126.db2.gz JUPKBSFKTJAIHM-LBPRGKRZSA-N 1 0 320.462 2.147 10 0 DEAERO COC(=O)c1coc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000183763012 199640206 /nfs/dbraw/zinc/64/02/06/199640206.db2.gz IBIKIBBYDSDBCV-CYBMUJFWSA-N 1 0 320.389 2.014 10 0 DEAERO COc1c(Cl)cc(Cl)cc1CC(=O)NCC[NH+](C)C ZINC000074963754 191396764 /nfs/dbraw/zinc/39/67/64/191396764.db2.gz NOUFQKIOZCKOQD-UHFFFAOYSA-N 1 0 305.205 2.222 10 0 DEAERO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCN1c1nccs1 ZINC000075515266 191483668 /nfs/dbraw/zinc/48/36/68/191483668.db2.gz OQUJOGRAFZEOBU-AWEZNQCLSA-N 1 0 322.478 2.104 10 0 DEAERO CC1(C)O[C@H]2O[C@H](C[N@@H+]3CCC[C@@H]3c3ccccc3)[C@@H](O)[C@H]2O1 ZINC000106385032 355722457 /nfs/dbraw/zinc/72/24/57/355722457.db2.gz FXRSTNMDEDRDHF-WRQOLXDDSA-N 1 0 319.401 2.061 10 0 DEAERO C[C@H](OCC1CC1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115417801 355768585 /nfs/dbraw/zinc/76/85/85/355768585.db2.gz SHJJOZCFRDBGNU-LBPRGKRZSA-N 1 0 308.397 2.319 10 0 DEAERO C[C@]1(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC000121465893 355796840 /nfs/dbraw/zinc/79/68/40/355796840.db2.gz VRZOKDOZUYLEMP-LJQANCHMSA-N 1 0 315.461 2.252 10 0 DEAERO C[C@H]1OCC[C@H]1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000126211537 355815062 /nfs/dbraw/zinc/81/50/62/355815062.db2.gz XUJIUIMYKZAMFG-BYNSBNAKSA-N 1 0 311.470 2.220 10 0 DEAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000139475185 355878028 /nfs/dbraw/zinc/87/80/28/355878028.db2.gz LWQLOPABEZLHLI-CYBMUJFWSA-N 1 0 312.417 2.330 10 0 DEAERO Cc1onc(-c2ccccn2)c1C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000128558380 355829073 /nfs/dbraw/zinc/82/90/73/355829073.db2.gz YZUIOZIUJZMKHH-STQMWFEESA-N 1 0 314.389 2.258 10 0 DEAERO CCOc1ccccc1CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000170812701 355994280 /nfs/dbraw/zinc/99/42/80/355994280.db2.gz VCKRUFKAYCNLDE-HNNXBMFYSA-N 1 0 305.422 2.021 10 0 DEAERO CCC[C@@H](C)C[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000180046497 356040820 /nfs/dbraw/zinc/04/08/20/356040820.db2.gz KMJRNHWBRONHDG-CVEARBPZSA-N 1 0 309.498 2.488 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3c(c2)N(C)CC3)C1 ZINC000180224374 356046087 /nfs/dbraw/zinc/04/60/87/356046087.db2.gz QEIDNEZEVYDGPK-HNNXBMFYSA-N 1 0 302.422 2.285 10 0 DEAERO CC[C@@H]1CN(C(=O)NCC2(C3CC3)CCC2)CC[N@@H+]1C[C@@H](C)O ZINC000182034258 356105703 /nfs/dbraw/zinc/10/57/03/356105703.db2.gz MBGFBGGSYMETMC-GDBMZVCRSA-N 1 0 323.481 2.053 10 0 DEAERO O[C@@H](CN1CCC[N@H+](CC2CCCCC2)CC1)C(F)(F)F ZINC000181651482 356089519 /nfs/dbraw/zinc/08/95/19/356089519.db2.gz MNGPTQITQUXDLY-AWEZNQCLSA-N 1 0 308.388 2.498 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC(N)=O)c1ccc(Oc2ccccc2)cc1 ZINC000181815693 356097457 /nfs/dbraw/zinc/09/74/57/356097457.db2.gz YJENULJIKXCNTH-LBPRGKRZSA-N 1 0 313.357 2.324 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000183065208 356158642 /nfs/dbraw/zinc/15/86/42/356158642.db2.gz NCQLKZPLPSRXIM-PMPSAXMXSA-N 1 0 311.470 2.223 10 0 DEAERO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000184270896 356189378 /nfs/dbraw/zinc/18/93/78/356189378.db2.gz ILGWRMNFRDWRPE-UHFFFAOYSA-N 1 0 315.377 2.295 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@@H]2CC=CCC2)CC1 ZINC000184967253 356200517 /nfs/dbraw/zinc/20/05/17/356200517.db2.gz ZPMPYEYGQAOMOJ-JKSUJKDBSA-N 1 0 323.481 2.077 10 0 DEAERO NC(=S)[C@@H](C[N@@H+]1CC[C@H](N2CCCC2)C1)c1ccccc1 ZINC000080820483 192194177 /nfs/dbraw/zinc/19/41/77/192194177.db2.gz JYAZNQUORFGHKR-HOTGVXAUSA-N 1 0 303.475 2.226 10 0 DEAERO CC[NH2+][C@@H](C)c1csc(N(CCOC)[C@@H](C)COC)n1 ZINC000080828994 192194503 /nfs/dbraw/zinc/19/45/03/192194503.db2.gz AMPLILGPTPQCGE-RYUDHWBXSA-N 1 0 301.456 2.301 10 0 DEAERO C[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1nccs1 ZINC000248612848 356323074 /nfs/dbraw/zinc/32/30/74/356323074.db2.gz YBYDPRALCCUUPY-STQMWFEESA-N 1 0 310.467 2.420 10 0 DEAERO [NH3+][C@H]1CCN(c2ccc(I)cc2Cl)C1 ZINC000232140907 356285130 /nfs/dbraw/zinc/28/51/30/356285130.db2.gz PHRWZPZBLRGWMJ-QMMMGPOBSA-N 1 0 322.577 2.482 10 0 DEAERO CC[C@](C)(CO)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000080886410 192199155 /nfs/dbraw/zinc/19/91/55/192199155.db2.gz WNMPSAKVJDMSOV-CYBMUJFWSA-N 1 0 318.211 2.414 10 0 DEAERO CC[C@](C)(CO)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000080897975 192199363 /nfs/dbraw/zinc/19/93/63/192199363.db2.gz ZODKPBCFSKUPTD-QWHCGFSZSA-N 1 0 302.212 2.233 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cn(C)nc2C(C)(C)C)C[C@H]1C ZINC000245646433 356309729 /nfs/dbraw/zinc/30/97/29/356309729.db2.gz FUOJHKOTYUJTTM-OAHLLOKOSA-N 1 0 322.497 2.260 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)CC/C=C\c2ccccc2)CCO1 ZINC000254994332 356337265 /nfs/dbraw/zinc/33/72/65/356337265.db2.gz BSSOSNQIKOOPCX-XBMZPMPPSA-N 1 0 302.418 2.269 10 0 DEAERO CC[C@H]([NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)O ZINC000400333615 283155608 /nfs/dbraw/zinc/15/56/08/283155608.db2.gz COCFNEWYRCLSGS-MQYQWHSLSA-N 1 0 300.443 2.381 10 0 DEAERO C[C@@H]([NH2+]CC1(N(C)C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400512738 283158013 /nfs/dbraw/zinc/15/80/13/283158013.db2.gz MAFNHFLMXBKEDH-KGLIPLIRSA-N 1 0 311.470 2.316 10 0 DEAERO CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400709945 283158036 /nfs/dbraw/zinc/15/80/36/283158036.db2.gz DLFUDHNBXQDHBU-IHRRRGAJSA-N 1 0 300.443 2.383 10 0 DEAERO Cc1c(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000400390928 283155915 /nfs/dbraw/zinc/15/59/15/283155915.db2.gz IHMUFABCAFGKMY-JSGCOSHPSA-N 1 0 322.453 2.464 10 0 DEAERO COC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)c(N)c2)C1 ZINC000081041470 192219391 /nfs/dbraw/zinc/21/93/91/192219391.db2.gz JVJYXKWXEWSAQT-LLVKDONJSA-N 1 0 311.813 2.219 10 0 DEAERO C[C@H](CCCO)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400397931 283156561 /nfs/dbraw/zinc/15/65/61/283156561.db2.gz JSHXYLPYEASKMI-HZSPNIEDSA-N 1 0 300.443 2.383 10 0 DEAERO Cc1nccn1CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400458166 283156988 /nfs/dbraw/zinc/15/69/88/283156988.db2.gz SXVYDJLVBROAAS-UKRRQHHQSA-N 1 0 322.453 2.427 10 0 DEAERO OCc1cn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cccs2)nn1 ZINC000328607342 356459812 /nfs/dbraw/zinc/45/98/12/356459812.db2.gz VTHAAYIVKLBJEH-LSDHHAIUSA-N 1 0 306.435 2.148 10 0 DEAERO CNC(=O)c1ccn([C@H]2CCC[N@H+](CCc3cccs3)C2)n1 ZINC000328634046 356464799 /nfs/dbraw/zinc/46/47/99/356464799.db2.gz MKXJXCPTRUSJIH-ZDUSSCGKSA-N 1 0 318.446 2.184 10 0 DEAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000328625898 356462825 /nfs/dbraw/zinc/46/28/25/356462825.db2.gz DQVFYYHFVKEDNJ-KGLIPLIRSA-N 1 0 316.405 2.355 10 0 DEAERO O[C@@H](CNc1cc(N[C@@H]2CCCOC2)ncn1)c1ccccc1 ZINC000328626262 356462963 /nfs/dbraw/zinc/46/29/63/356462963.db2.gz DYRYPNIUZYUMMT-CABCVRRESA-N 1 0 314.389 2.213 10 0 DEAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)CC2=CCCCC2)CCO1 ZINC000328629493 356463924 /nfs/dbraw/zinc/46/39/24/356463924.db2.gz IHRXCLBVCOGNDL-KRWDZBQOSA-N 1 0 306.450 2.446 10 0 DEAERO Cc1c([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)c2ccccc2F)cnn1C ZINC000328642213 356465470 /nfs/dbraw/zinc/46/54/70/356465470.db2.gz YGMRBPWJAQPBQE-YESZJQIVSA-N 1 0 319.380 2.021 10 0 DEAERO COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000081338356 192253100 /nfs/dbraw/zinc/25/31/00/192253100.db2.gz PPEBFCUEBYLIOH-CABCVRRESA-N 1 0 322.449 2.053 10 0 DEAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@@H](C)CCOC)c1 ZINC000081717776 192316235 /nfs/dbraw/zinc/31/62/35/192316235.db2.gz GTHWBSLHFVSPNL-QWHCGFSZSA-N 1 0 314.451 2.060 10 0 DEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236949755 202088223 /nfs/dbraw/zinc/08/82/23/202088223.db2.gz IJGCYDSNHBSYDB-ONGXEEELSA-N 1 0 309.797 2.156 10 0 DEAERO C[C@H]1[C@H]([NH3+])CC[C@@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000086041742 192546254 /nfs/dbraw/zinc/54/62/54/192546254.db2.gz ASOQPMIATLWMOU-AXTRIDKLSA-N 1 0 318.236 2.349 10 0 DEAERO CCC[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)CCC[NH2+]1 ZINC000086293064 192559826 /nfs/dbraw/zinc/55/98/26/192559826.db2.gz FAWDTLSOVPXWSD-HNNXBMFYSA-N 1 0 310.463 2.054 10 0 DEAERO COC(=O)[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000380967449 356669600 /nfs/dbraw/zinc/66/96/00/356669600.db2.gz DHIITIAWMSXYOS-WMZOPIPTSA-N 1 0 316.445 2.440 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1Br ZINC000384299269 356682716 /nfs/dbraw/zinc/68/27/16/356682716.db2.gz YFZBTAYXXGQNJF-PWSUYJOCSA-N 1 0 311.223 2.453 10 0 DEAERO O[C@]1(CC[NH2+]Cc2ccsc2Br)CCOC1 ZINC000404206750 356732188 /nfs/dbraw/zinc/73/21/88/356732188.db2.gz QVOWQJMVDOKTGP-LLVKDONJSA-N 1 0 306.225 2.142 10 0 DEAERO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000578741021 356864077 /nfs/dbraw/zinc/86/40/77/356864077.db2.gz BKCCRFWUDRIZJD-YSHGAJCASA-N 1 0 317.429 2.336 10 0 DEAERO c1cc2c(o1)CCC[N@@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000579769648 357027595 /nfs/dbraw/zinc/02/75/95/357027595.db2.gz UQZKWRFWRLFYHP-UHFFFAOYSA-N 1 0 309.373 2.246 10 0 DEAERO CCN(CC)S(=O)(=O)c1ccc(OCC[NH2+]C(C)C)cc1 ZINC000088906519 192651696 /nfs/dbraw/zinc/65/16/96/192651696.db2.gz RBSWEOLNLZJFSW-UHFFFAOYSA-N 1 0 314.451 2.094 10 0 DEAERO CC[C@H](C)CN(C)S(=O)(=O)c1cc(C[NH2+]C)ccc1F ZINC000088952646 192667711 /nfs/dbraw/zinc/66/77/11/192667711.db2.gz YLKDACVTODNAOZ-NSHDSACASA-N 1 0 302.415 2.212 10 0 DEAERO CCC[NH2+]CCc1ccc(S(=O)(=O)N(CC)C2CC2)cc1 ZINC000088940774 192662048 /nfs/dbraw/zinc/66/20/48/192662048.db2.gz LCDIQDSPPCJVQD-UHFFFAOYSA-N 1 0 310.463 2.402 10 0 DEAERO CCC[NH2+]CCCN(C)S(=O)(=O)N(CC(C)C)CC(C)C ZINC000088987182 192682261 /nfs/dbraw/zinc/68/22/61/192682261.db2.gz DXABDRHVMKGLRU-UHFFFAOYSA-N 1 0 321.531 2.167 10 0 DEAERO CC(C)[NH2+]Cc1cc(S(=O)(=O)N2CC[C@H](C)C2)ccc1F ZINC000088986947 192682894 /nfs/dbraw/zinc/68/28/94/192682894.db2.gz BTNJLJSVZHSFQZ-LBPRGKRZSA-N 1 0 314.426 2.354 10 0 DEAERO CCC(CC)(C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)cc1 ZINC000262148449 535369349 /nfs/dbraw/zinc/36/93/49/535369349.db2.gz HPDRHJRNCGEHGE-WFASDCNBSA-N 1 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C[C@@H]1CCCN(S(=O)(=O)c2ccc(CCC[NH3+])cc2)CC1 ZINC000089036640 192712530 /nfs/dbraw/zinc/71/25/30/192712530.db2.gz XPROUWNTFFTPPY-CQSZACIVSA-N 1 0 310.463 2.389 10 0 DEAERO C[NH2+]Cc1cccc(CS(=O)(=O)N(C)CCC(F)(F)F)c1 ZINC000089049880 192720196 /nfs/dbraw/zinc/72/01/96/192720196.db2.gz KHFCXCAETMDWBT-UHFFFAOYSA-N 1 0 324.368 2.120 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C12CCOCC2 ZINC000186200598 199927066 /nfs/dbraw/zinc/92/70/66/199927066.db2.gz CHVDTEJKKDQJRJ-IRXDYDNUSA-N 1 0 319.401 2.479 10 0 DEAERO CCC[NH2+][C@H](CCc1c(Br)c(C)nn1C)COC ZINC000089235454 192749179 /nfs/dbraw/zinc/74/91/79/192749179.db2.gz VUSDBVAGGFBINN-LLVKDONJSA-N 1 0 318.259 2.438 10 0 DEAERO Cc1nn(C)c(CN2C[C@@H](C)[NH2+]CC[C@@H]2C)c1Br ZINC000089271399 192755186 /nfs/dbraw/zinc/75/51/86/192755186.db2.gz XBJJURSCVGNBJH-ZJUUUORDSA-N 1 0 315.259 2.063 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C12CCOCC2 ZINC000186428441 199956820 /nfs/dbraw/zinc/95/68/20/199956820.db2.gz QNPYWGJQZNNZOG-SQNIBIBYSA-N 1 0 319.445 2.154 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]1Cc2ccccc2O1 ZINC000261774245 283435529 /nfs/dbraw/zinc/43/55/29/283435529.db2.gz RSHYLDNDDSAHDV-GOSISDBHSA-N 1 0 310.397 2.020 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000089501453 192803693 /nfs/dbraw/zinc/80/36/93/192803693.db2.gz KABZOTWXOBEIEO-GHMZBOCLSA-N 1 0 318.389 2.470 10 0 DEAERO COc1nc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc2ccccc21 ZINC000186948539 200036235 /nfs/dbraw/zinc/03/62/35/200036235.db2.gz CBOJVVIEBFCMHX-CFVMTHIKSA-N 1 0 311.385 2.053 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc3ccccc32)[C@H](C)C1 ZINC000186962869 200039193 /nfs/dbraw/zinc/03/91/93/200039193.db2.gz HGOCHWOCDJWWQI-HUUCEWRRSA-N 1 0 312.413 2.367 10 0 DEAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000186952357 200037279 /nfs/dbraw/zinc/03/72/79/200037279.db2.gz HYQLEQGYYCZREP-WMLDXEAASA-N 1 0 324.490 2.092 10 0 DEAERO C[C@H](CN1CC[NH+](C)CC1)Nc1ncc(C(F)(F)F)s1 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10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)ccc(OC)c2OC)C1 ZINC000188298330 200223392 /nfs/dbraw/zinc/22/33/92/200223392.db2.gz SYKQZANTFWYTIQ-LLVKDONJSA-N 1 0 310.369 2.057 10 0 DEAERO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc(F)cc1Cl ZINC000188597768 200272275 /nfs/dbraw/zinc/27/22/75/200272275.db2.gz ZETZYOBXYOZEJS-MRVPVSSYSA-N 1 0 322.771 2.339 10 0 DEAERO [NH3+]C[C@H]1CCCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000237964257 283499335 /nfs/dbraw/zinc/49/93/35/283499335.db2.gz QFTWUNWUDBSVDF-CQSZACIVSA-N 1 0 318.808 2.479 10 0 DEAERO CC(C)Oc1cccnc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188723455 200294547 /nfs/dbraw/zinc/29/45/47/200294547.db2.gz JQKBJFRRDLTBOH-UHFFFAOYSA-N 1 0 311.385 2.402 10 0 DEAERO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2cccs2)C1 ZINC000237933029 202395885 /nfs/dbraw/zinc/39/58/85/202395885.db2.gz RAAOYJVXJVLSTN-QWHCGFSZSA-N 1 0 306.431 2.038 10 0 DEAERO O=C([C@@H]1CCCC12OCCO2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000375098699 296007416 /nfs/dbraw/zinc/00/74/16/296007416.db2.gz CFPRIDYSHMADMA-INIZCTEOSA-N 1 0 322.449 2.007 10 0 DEAERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1 ZINC000189268703 200372782 /nfs/dbraw/zinc/37/27/82/200372782.db2.gz LJXBAZPUUSNUMH-CJNGLKHVSA-N 1 0 306.406 2.381 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000189182693 200361522 /nfs/dbraw/zinc/36/15/22/200361522.db2.gz IPWJXESBALYKKL-BHYGNILZSA-N 1 0 304.434 2.091 10 0 DEAERO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000189390672 200392455 /nfs/dbraw/zinc/39/24/55/200392455.db2.gz WGDOGKRVKJMQLE-NEPJUHHUSA-N 1 0 321.421 2.171 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)C(=O)c2ccccc2)C1 ZINC000602103557 360265955 /nfs/dbraw/zinc/26/59/55/360265955.db2.gz FYVBTJGNTCLADZ-LSDHHAIUSA-N 1 0 302.418 2.354 10 0 DEAERO CCSCC[C@@H](C)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602457891 360382509 /nfs/dbraw/zinc/38/25/09/360382509.db2.gz JIRGVGRCMSDVPQ-ZBFHGGJFSA-N 1 0 323.506 2.094 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CC2(C)OCCCO2)CN1Cc1ccccc1 ZINC000192248599 200841711 /nfs/dbraw/zinc/84/17/11/200841711.db2.gz WHJMHXQRLZMGNJ-DOTOQJQBSA-N 1 0 304.434 2.392 10 0 DEAERO Cn1c2ccc(C[NH2+]C[C@@H]3CCCC[C@H]3O)cc2sc1=O ZINC000192589021 200906193 /nfs/dbraw/zinc/90/61/93/200906193.db2.gz VBVGVZHHNLCXIW-GXTWGEPZSA-N 1 0 306.431 2.241 10 0 DEAERO COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)CC[C@@H](C)[NH3+] ZINC000193200995 201006004 /nfs/dbraw/zinc/00/60/04/201006004.db2.gz VCBSLEAPUIBBCM-ZBFHGGJFSA-N 1 0 320.433 2.330 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000193210132 201006746 /nfs/dbraw/zinc/00/67/46/201006746.db2.gz RHDYAMFJDKKDSO-OAHLLOKOSA-N 1 0 304.434 2.364 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000193267157 201017613 /nfs/dbraw/zinc/01/76/13/201017613.db2.gz HTQFUUJWPBIPBZ-KCJUWKMLSA-N 1 0 305.205 2.270 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000193282935 201020483 /nfs/dbraw/zinc/02/04/83/201020483.db2.gz JOBOXWRLDWPAHZ-NVXWUHKLSA-N 1 0 304.434 2.364 10 0 DEAERO CC(C)[C@@H](NC(=O)CC[C@H](C)[NH3+])c1nc(-c2cccnc2)no1 ZINC000193308165 201025410 /nfs/dbraw/zinc/02/54/10/201025410.db2.gz MSMIBKASAXANRB-SMDDNHRTSA-N 1 0 317.393 2.072 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1CC ZINC000193407112 201048406 /nfs/dbraw/zinc/04/84/06/201048406.db2.gz FADNSVRRSKQYMP-WBMJQRKESA-N 1 0 310.463 2.088 10 0 DEAERO Cc1c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cnn1Cc1ccccc1 ZINC000193627745 201090701 /nfs/dbraw/zinc/09/07/01/201090701.db2.gz SMOPGCJVCWXDEX-SUMWQHHRSA-N 1 0 312.417 2.110 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000193601109 201083774 /nfs/dbraw/zinc/08/37/74/201083774.db2.gz ZHUWUMNLTBKJJK-IUODEOHRSA-N 1 0 323.414 2.376 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)N(CC)Cc1ccccc1Cl ZINC000090490131 192924141 /nfs/dbraw/zinc/92/41/41/192924141.db2.gz NWJQJUORTRMKLF-ZFWWWQNUSA-N 1 0 310.825 2.313 10 0 DEAERO C[C@@H]1CCCC[C@H]1[NH2+]CCn1cncc(Br)c1=O ZINC000090765782 192930669 /nfs/dbraw/zinc/93/06/69/192930669.db2.gz 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365195962 /nfs/dbraw/zinc/19/59/62/365195962.db2.gz QZCJMOOLARCKNN-ZDUSSCGKSA-N 1 0 324.222 2.087 10 0 DEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(Br)nc1 ZINC000091448321 193057701 /nfs/dbraw/zinc/05/77/01/193057701.db2.gz UGMZCWVVZBPAKA-SNVBAGLBSA-N 1 0 312.211 2.058 10 0 DEAERO CC(C)(C)[NH2+]Cc1cnn([C@H]2CCS(=O)(=O)C2)c1C1CC1 ZINC000091336165 193043458 /nfs/dbraw/zinc/04/34/58/193043458.db2.gz KHTXPLZWGVJRIZ-ZDUSSCGKSA-N 1 0 311.451 2.008 10 0 DEAERO CC[C@@]1(C(=O)Nc2ccc(Br)c(C)n2)CC[NH2+]C1 ZINC000091507181 193067098 /nfs/dbraw/zinc/06/70/98/193067098.db2.gz GYWYGDDMYBPTKE-CYBMUJFWSA-N 1 0 312.211 2.481 10 0 DEAERO CC[C@@](C)([C@@H]([NH3+])CCCS(=O)(=O)CC)N1CCCCC1 ZINC000091608947 193079955 /nfs/dbraw/zinc/07/99/55/193079955.db2.gz YJSQTSIBJHMIRB-GJZGRUSLSA-N 1 0 304.500 2.183 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)[C@](C)(CC)N(CC)CC ZINC000091600807 193078428 /nfs/dbraw/zinc/07/84/28/193078428.db2.gz NFPNJAFULQAKOT-CABCVRRESA-N 1 0 306.516 2.300 10 0 DEAERO 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C[S@@](=O)C[C@H](NC(=O)CCCCCC[NH3+])c1ccccc1 ZINC000262628174 203356914 /nfs/dbraw/zinc/35/69/14/203356914.db2.gz MCCCLQFPHHGWJI-YCRPNKLZSA-N 1 0 310.463 2.132 10 0 DEAERO CCC(CC)N(CC(C)C)S(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000093326118 193233580 /nfs/dbraw/zinc/23/35/80/193233580.db2.gz NFEKXYHZXPSHBB-AWEZNQCLSA-N 1 0 304.500 2.462 10 0 DEAERO [NH2+]=C1NC[C@H](c2cc3c(c(Br)c2)OCO3)N1C1CC1 ZINC000093373570 193241200 /nfs/dbraw/zinc/24/12/00/193241200.db2.gz BYJRXWAETSMZSJ-SNVBAGLBSA-N 1 0 324.178 2.012 10 0 DEAERO NC1=[NH+]C[C@@]2(CCCOC2)N1c1cccc(Br)c1 ZINC000093387763 193242574 /nfs/dbraw/zinc/24/25/74/193242574.db2.gz QNKYPBVPVLEHRA-CYBMUJFWSA-N 1 0 310.195 2.133 10 0 DEAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CC(C)(C)S(C)(=O)=O ZINC000093525842 193263834 /nfs/dbraw/zinc/26/38/34/193263834.db2.gz DKEBFNPWHKDKCT-UONOGXRCSA-N 1 0 318.527 2.154 10 0 DEAERO CC[C@H](C)[C@H]1CN(CC(C)(C)S(C)(=O)=O)[C@H](C(C)C)C[NH2+]1 ZINC000093525821 193264174 /nfs/dbraw/zinc/26/41/74/193264174.db2.gz WJDXQYUPKIHALT-ZNMIVQPWSA-N 1 0 318.527 2.154 10 0 DEAERO CN[C@]1(C(=O)OC)CCC[C@@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596098 193271665 /nfs/dbraw/zinc/27/16/65/193271665.db2.gz AXJVCBISPJOTNW-DGCLKSJQSA-N 1 0 310.360 2.192 10 0 DEAERO Cc1c(Cl)cnn1CC[C@H]1CCC[C@]1([NH2+]C(C)C)C(N)=O ZINC000093616117 193275803 /nfs/dbraw/zinc/27/58/03/193275803.db2.gz RPJJZGGEYXQACH-IUODEOHRSA-N 1 0 312.845 2.257 10 0 DEAERO COCCCSCC[C@@H]1CCC[C@]1([NH2+]C(C)C)C(N)=O ZINC000093631110 193277818 /nfs/dbraw/zinc/27/78/18/193277818.db2.gz ANYLWNWFXDRWDQ-DZGCQCFKSA-N 1 0 302.484 2.168 10 0 DEAERO Cc1cc(C)n2c(C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)cnc2n1 ZINC000093691198 193290380 /nfs/dbraw/zinc/29/03/80/193290380.db2.gz FVJXOYIGRAKTCF-QGZVFWFLSA-N 1 0 323.400 2.394 10 0 DEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696519 193291795 /nfs/dbraw/zinc/29/17/95/193291795.db2.gz JPUDSQHMEUKDHV-ZNMIVQPWSA-N 1 0 302.484 2.216 10 0 DEAERO CC[NH2+][C@H](C)[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C 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10 0 DEAERO Cc1nn([C@@H]2CCC[C@@]([NH2+]C(C)C)(C(N)=O)C2)c(C)c1Cl ZINC000093759618 193301795 /nfs/dbraw/zinc/30/17/95/193301795.db2.gz NNAUSEFZFHVUFD-DOMZBBRYSA-N 1 0 312.845 2.491 10 0 DEAERO C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CN(C)CCN1C ZINC000093894768 193325044 /nfs/dbraw/zinc/32/50/44/193325044.db2.gz QBKZXIIGKNUKKO-UONOGXRCSA-N 1 0 301.356 2.212 10 0 DEAERO CCC[NH2+][C@@H]1CCCc2nc([C@H]3CN(C)CCN3C)sc21 ZINC000093896230 193325321 /nfs/dbraw/zinc/32/53/21/193325321.db2.gz HKMBHALKBLIYEM-TZMCWYRMSA-N 1 0 308.495 2.438 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1CN(C)CCN1C ZINC000093894934 193325881 /nfs/dbraw/zinc/32/58/81/193325881.db2.gz RSJFJFIUHZHMJJ-HUUCEWRRSA-N 1 0 316.276 2.370 10 0 DEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1C ZINC000094023935 193339088 /nfs/dbraw/zinc/33/90/88/193339088.db2.gz FNURFAJIHCMRKD-UHFFFAOYSA-N 1 0 314.426 2.144 10 0 DEAERO CCC[NH2+][C@H](Cc1csc(C)n1)[C@H]1CN(C(C)C)CCO1 ZINC000093928719 193329416 /nfs/dbraw/zinc/32/94/16/193329416.db2.gz SYGNVKSAVHEMFF-HZPDHXFCSA-N 1 0 311.495 2.471 10 0 DEAERO CC[NH2+][C@H](c1cc(Cl)cnc1N)[C@H]1CN(C(C)C)CCO1 ZINC000093927477 193329699 /nfs/dbraw/zinc/32/96/99/193329699.db2.gz LCMUFXJPJOLWBH-ZIAGYGMSSA-N 1 0 312.845 2.077 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N(C)CC1CC[NH2+]CC1 ZINC000094023760 193339323 /nfs/dbraw/zinc/33/93/23/193339323.db2.gz WOYNCJGSRWDMAT-UHFFFAOYSA-N 1 0 316.854 2.269 10 0 DEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1cc(C)sc1C ZINC000094023940 193339387 /nfs/dbraw/zinc/33/93/87/193339387.db2.gz QCDPJTRQGPLCPE-UHFFFAOYSA-N 1 0 316.492 2.375 10 0 DEAERO CCC([NH3+])(CC)C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000094245157 193354879 /nfs/dbraw/zinc/35/48/79/193354879.db2.gz AAOXGMGMLDZHLS-UHFFFAOYSA-N 1 0 300.349 2.464 10 0 DEAERO CC[NH2+][C@@H](Cc1nc(C(C)(C)C)cs1)[C@H]1CN(C)CCO1 ZINC000094256910 193355317 /nfs/dbraw/zinc/35/53/17/193355317.db2.gz YACAAMYQOCBWIX-QWHCGFSZSA-N 1 0 311.495 2.292 10 0 DEAERO CC[NH2+][C@H](Cc1nc2ccccc2s1)[C@@H]1CN(C)CCO1 ZINC000094251519 193355497 /nfs/dbraw/zinc/35/54/97/193355497.db2.gz YADFVFRLEPTRHX-KGLIPLIRSA-N 1 0 305.447 2.148 10 0 DEAERO CC[NH2+][C@@H]1[C@H](C[NH+](CCOC)CCOC)CCCC1(C)C ZINC000094287854 193356164 /nfs/dbraw/zinc/35/61/64/193356164.db2.gz JVSSRRNHEBDSET-JKSUJKDBSA-N 1 0 300.487 2.386 10 0 DEAERO CCC[C@@H](C)NC(=O)COc1c(F)cc(C[NH2+]C)cc1F ZINC000094346668 193363010 /nfs/dbraw/zinc/36/30/10/193363010.db2.gz KVQYWWXXCFYENM-SNVBAGLBSA-N 1 0 300.349 2.368 10 0 DEAERO CCS(=O)(=O)CCOc1c(F)cc(C[NH2+]C(C)C)cc1F ZINC000094347504 193363743 /nfs/dbraw/zinc/36/37/43/193363743.db2.gz UZSXAYMGDUANFI-UHFFFAOYSA-N 1 0 321.389 2.276 10 0 DEAERO CC(=O)Nc1nc(CN(CC2CC[NH2+]CC2)C2CC2)cs1 ZINC000094042750 193340999 /nfs/dbraw/zinc/34/09/99/193340999.db2.gz RAQRGYVGSGQWAB-UHFFFAOYSA-N 1 0 308.451 2.066 10 0 DEAERO CC[C@H](C(N)=S)[NH+]1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094051956 193341601 /nfs/dbraw/zinc/34/16/01/193341601.db2.gz GHYFAMALTQXMCX-LLVKDONJSA-N 1 0 316.833 2.061 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(C)c(Br)cn1 ZINC000094063688 193342569 /nfs/dbraw/zinc/34/25/69/193342569.db2.gz HVQAMFGCVIOVNZ-VIFPVBQESA-N 1 0 300.200 2.479 10 0 DEAERO CCn1nc(C)c(Cl)c1CN1CCC(OCCC[NH3+])CC1 ZINC000094072354 193343132 /nfs/dbraw/zinc/34/31/32/193343132.db2.gz YXAPHIYKMRKFKR-UHFFFAOYSA-N 1 0 314.861 2.195 10 0 DEAERO CCC([NH3+])(CC)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000094244630 193354709 /nfs/dbraw/zinc/35/47/09/193354709.db2.gz JYBWZTCGJBHGPZ-OLZOCXBDSA-N 1 0 300.468 2.017 10 0 DEAERO O=C(Cc1cccc(F)c1F)Nc1nc2c(s1)C[NH2+]CC2 ZINC000094713487 193392982 /nfs/dbraw/zinc/39/29/82/193392982.db2.gz SFXQOUCNQOXRMZ-UHFFFAOYSA-N 1 0 309.341 2.248 10 0 DEAERO CCN(CC)C(C)(C)[C@H]([NH2+]C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642881 193388618 /nfs/dbraw/zinc/38/86/18/193388618.db2.gz TZLRFBKQSJZHFL-SOUVJXGZSA-N 1 0 318.527 2.298 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000094670423 193390829 /nfs/dbraw/zinc/39/08/29/193390829.db2.gz FGYDPMAZCUCEQA-XVKPBYJWSA-N 1 0 319.586 2.015 10 0 DEAERO CC[NH2+]CCCN1c2ccc(C(F)(F)F)cc2C(=O)C1=O ZINC000094658019 193391071 /nfs/dbraw/zinc/39/10/71/193391071.db2.gz UECHRIYTIMTSBV-UHFFFAOYSA-N 1 0 300.280 2.234 10 0 DEAERO CCOC(OCC)[C@H]([NH3+])[C@H]1CCOC2(CCSCC2)C1 ZINC000094407979 193367554 /nfs/dbraw/zinc/36/75/54/193367554.db2.gz NIZPOQADUUYHGV-QWHCGFSZSA-N 1 0 303.468 2.405 10 0 DEAERO CCOC(OCC)[C@@H]([NH3+])[C@H]1CCOC2(CCSCC2)C1 ZINC000094407980 193367863 /nfs/dbraw/zinc/36/78/63/193367863.db2.gz NIZPOQADUUYHGV-STQMWFEESA-N 1 0 303.468 2.405 10 0 DEAERO CC[N@H+](CCC(=O)OC)[C@H]1CCOC2(CCSCC2)C1 ZINC000094410577 193368275 /nfs/dbraw/zinc/36/82/75/193368275.db2.gz MZRRTSMXDVHEQH-ZDUSSCGKSA-N 1 0 301.452 2.316 10 0 DEAERO CC(C)(C)[C@H]1CN(CCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094421214 193368727 /nfs/dbraw/zinc/36/87/27/193368727.db2.gz RMRZATYPWBHETN-OAHLLOKOSA-N 1 0 310.463 2.056 10 0 DEAERO CCC[NH2+][C@H](Cc1cccc(Cl)c1)[C@H]1CN2CCN1CC2 ZINC000094510983 193375331 /nfs/dbraw/zinc/37/53/31/193375331.db2.gz LWKDGWONISUMTP-IAGOWNOFSA-N 1 0 307.869 2.251 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)[C@@H]1CN2CCN1CC2 ZINC000094510752 193375768 /nfs/dbraw/zinc/37/57/68/193375768.db2.gz XNNRQDIKZGKRFU-IRXDYDNUSA-N 1 0 307.869 2.251 10 0 DEAERO C[NH2+]CCc1cn(Cc2ccc(OC)c(Br)c2)cn1 ZINC000094529646 193377346 /nfs/dbraw/zinc/37/73/46/193377346.db2.gz JZWXJDZMNGSIFH-UHFFFAOYSA-N 1 0 324.222 2.464 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2cc(Br)ccc2F)C1 ZINC000094549532 193379027 /nfs/dbraw/zinc/37/90/27/193379027.db2.gz MHGCHLRTQBNVRH-PSASIEDQSA-N 1 0 315.186 2.398 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)O1 ZINC000094563384 193379884 /nfs/dbraw/zinc/37/98/84/193379884.db2.gz AFKZRNZBFNXWLS-GHMZBOCLSA-N 1 0 304.268 2.030 10 0 DEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cc(Br)ccc1O ZINC000094573592 193381374 /nfs/dbraw/zinc/38/13/74/193381374.db2.gz CXPLHYHTUNJGHU-QMMMGPOBSA-N 1 0 301.184 2.481 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)c(F)c2)O1 ZINC000094572770 193381420 /nfs/dbraw/zinc/38/14/20/193381420.db2.gz RXHYPGAGAWKPFM-GZMMTYOYSA-N 1 0 317.158 2.033 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CNc1nc2ccc(Br)cn2n1 ZINC000094604869 193383669 /nfs/dbraw/zinc/38/36/69/193383669.db2.gz GORNUBLJCBWVMY-LLVKDONJSA-N 1 0 324.226 2.388 10 0 DEAERO C[C@H](Nc1nc2ccc(Br)cn2n1)[C@@H]1CCC[NH2+]C1 ZINC000094607701 193384846 /nfs/dbraw/zinc/38/48/46/193384846.db2.gz ZWKJXNMKKNGSAN-VHSXEESVSA-N 1 0 324.226 2.292 10 0 DEAERO [NH3+]CC[C@@H]1CCCN(c2nc3ccc(Br)cn3n2)C1 ZINC000094608399 193384856 /nfs/dbraw/zinc/38/48/56/193384856.db2.gz HVKDZUCVKUAQJU-JTQLQIEISA-N 1 0 324.226 2.057 10 0 DEAERO CC[NH2+][C@@H](Cc1ncnn1CC)c1cncc(Br)c1 ZINC000094824696 193401791 /nfs/dbraw/zinc/40/17/91/193401791.db2.gz IGRYWQZQROPGLG-LBPRGKRZSA-N 1 0 324.226 2.349 10 0 DEAERO O=S1(=O)N=C(OCCC[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000095073738 193416719 /nfs/dbraw/zinc/41/67/19/193416719.db2.gz XSIQTOSKJGHOBI-GFCCVEGCSA-N 1 0 308.403 2.074 10 0 DEAERO COC(=O)c1ccc(C[N@H+](CCC(N)=S)CC(C)C)nc1 ZINC000094761703 193395387 /nfs/dbraw/zinc/39/53/87/193395387.db2.gz PSDAQFSPZRFKCE-UHFFFAOYSA-N 1 0 309.435 2.002 10 0 DEAERO C[NH+](C)CCN1CCOCC12CCN(c1ccccc1F)CC2 ZINC000096093371 193534551 /nfs/dbraw/zinc/53/45/51/193534551.db2.gz HEGQUWMAQAKTLW-UHFFFAOYSA-N 1 0 321.440 2.059 10 0 DEAERO C[C@H](C1CC1)n1nccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000274917114 212032159 /nfs/dbraw/zinc/03/21/59/212032159.db2.gz LHRQFMKSYKEXPP-OCCSQVGLSA-N 1 0 303.410 2.166 10 0 DEAERO Cc1nnc2ccc(N3CC[C@H](CNc4cccc(C)[nH+]4)C3)nn12 ZINC000264570596 204003082 /nfs/dbraw/zinc/00/30/82/204003082.db2.gz UIWZRRWIKFAJEE-CQSZACIVSA-N 1 0 323.404 2.075 10 0 DEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000282469671 217017452 /nfs/dbraw/zinc/01/74/52/217017452.db2.gz UNURRSNLFUWJPZ-UFBFGSQYSA-N 1 0 315.186 2.345 10 0 DEAERO Cc1ccc2cc([C@@H]([NH3+])C[C@H]3CCS(=O)(=O)C3)ccc2n1 ZINC000097343888 193709322 /nfs/dbraw/zinc/70/93/22/193709322.db2.gz JCINTMNUMFDWGS-DOMZBBRYSA-N 1 0 304.415 2.368 10 0 DEAERO CCn1cnc2c1ncnc2N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000266284607 205237119 /nfs/dbraw/zinc/23/71/19/205237119.db2.gz VFGZMDLEXPTDNB-QWHCGFSZSA-N 1 0 302.426 2.013 10 0 DEAERO O=C(c1cc2ccccc2oc1=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186507361 296195579 /nfs/dbraw/zinc/19/55/79/296195579.db2.gz BWVXEHMWAQHGJA-CYBMUJFWSA-N 1 0 312.369 2.150 10 0 DEAERO COc1ccc(OC)c(-c2csc(N3CC[NH2+]CC3)n2)c1 ZINC000019728702 182138975 /nfs/dbraw/zinc/13/89/75/182138975.db2.gz GLHRYAQOPHEAMQ-UHFFFAOYSA-N 1 0 305.403 2.237 10 0 DEAERO NC(=[NH2+])c1ccnc(Sc2nnc(C3CC3)n2C2CC2)c1 ZINC000019848089 182156337 /nfs/dbraw/zinc/15/63/37/182156337.db2.gz ZDYRCKRLPDCLAG-UHFFFAOYSA-N 1 0 300.391 2.321 10 0 DEAERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000019899860 182161587 /nfs/dbraw/zinc/16/15/87/182161587.db2.gz AJAWJYFASSFUOH-CABZTGNLSA-N 1 0 318.236 2.287 10 0 DEAERO C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000160059615 197382932 /nfs/dbraw/zinc/38/29/32/197382932.db2.gz UHQPISRZKMXGIO-BREBYQMCSA-N 1 0 311.223 2.482 10 0 DEAERO O=C(Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020505406 182225623 /nfs/dbraw/zinc/22/56/23/182225623.db2.gz DYHXQBLYUDCING-RCOVLWMOSA-N 1 0 309.580 2.308 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1cccc(N)c1 ZINC000021793718 182290032 /nfs/dbraw/zinc/29/00/32/182290032.db2.gz SYEZWPRRGNYXAZ-ZDUSSCGKSA-N 1 0 313.467 2.058 10 0 DEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000267441038 206067936 /nfs/dbraw/zinc/06/79/36/206067936.db2.gz PDSWPAJXBIVFLT-IKGGRYGDSA-N 1 0 304.434 2.467 10 0 DEAERO CCC[NH2+][C@@H](C)C1CCN(S(=O)(=O)C2CCCC2)CC1 ZINC000097834516 193763307 /nfs/dbraw/zinc/76/33/07/193763307.db2.gz MQCFGVGGWNFOQW-ZDUSSCGKSA-N 1 0 302.484 2.359 10 0 DEAERO CO[C@@H]1CC[C@H](NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000454838625 246184025 /nfs/dbraw/zinc/18/40/25/246184025.db2.gz BKPMMKIACQMIEL-HRCADAONSA-N 1 0 311.470 2.364 10 0 DEAERO C[NH2+]C[C@H]1CN(Cc2ccc(C)c(Br)c2)CCO1 ZINC000097899455 193765367 /nfs/dbraw/zinc/76/53/67/193765367.db2.gz UOFRRVRQCLJTGL-ZDUSSCGKSA-N 1 0 313.239 2.178 10 0 DEAERO C[C@H]1CN(C(=O)NC2CCCCC2)C[C@H](C)N1CCC[NH+](C)C ZINC000036125093 182804696 /nfs/dbraw/zinc/80/46/96/182804696.db2.gz NYXYUWPDQVSASS-HOTGVXAUSA-N 1 0 324.513 2.375 10 0 DEAERO COc1ccc(Cl)cc1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000457847493 248043090 /nfs/dbraw/zinc/04/30/90/248043090.db2.gz CWLSJDLBOCJIMC-UHFFFAOYSA-N 1 0 313.829 2.488 10 0 DEAERO C[C@H](C[NH2+]Cc1ccc(Br)cc1F)[S@@](C)=O ZINC000159809206 197366518 /nfs/dbraw/zinc/36/65/18/197366518.db2.gz CJSAOKZXCOLHHC-BCTVWOGZSA-N 1 0 308.216 2.445 10 0 DEAERO C[C@@H]1C[NH+](CCC(=O)Nc2ccc(Cl)c(N)c2)C[C@@H](C)O1 ZINC000040162712 183042750 /nfs/dbraw/zinc/04/27/50/183042750.db2.gz CHVQHULRGBHLEY-GHMZBOCLSA-N 1 0 311.813 2.360 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000040635262 183112677 /nfs/dbraw/zinc/11/26/77/183112677.db2.gz JOQDBPYMMSXSNS-CABCVRRESA-N 1 0 308.809 2.208 10 0 DEAERO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000040599486 183108072 /nfs/dbraw/zinc/10/80/72/183108072.db2.gz OEYKEMWNPWWMKJ-NSHDSACASA-N 1 0 313.804 2.349 10 0 DEAERO CCCC[C@@H]([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000040858918 183142684 /nfs/dbraw/zinc/14/26/84/183142684.db2.gz PALXPFIIYZHKOI-SNVBAGLBSA-N 1 0 310.419 2.479 10 0 DEAERO CCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cccs1 ZINC000040747995 183128673 /nfs/dbraw/zinc/12/86/73/183128673.db2.gz AWLBNZGLEXRDLG-FOSCPWQOSA-N 1 0 300.449 2.042 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(C)ccc1C ZINC000041604005 183209731 /nfs/dbraw/zinc/20/97/31/183209731.db2.gz BFDBMQAGFVLOFA-CQSZACIVSA-N 1 0 305.422 2.088 10 0 DEAERO CC(C)[N@H+](C)CCCCNS(=O)(=O)c1cccnc1Cl ZINC000041678835 183216462 /nfs/dbraw/zinc/21/64/62/183216462.db2.gz PCHKLVVFBJATCV-UHFFFAOYSA-N 1 0 319.858 2.134 10 0 DEAERO CCc1noc(COc2c(Br)cccc2C[NH3+])n1 ZINC000042411409 183264927 /nfs/dbraw/zinc/26/49/27/183264927.db2.gz SEBXUNABKDPYLK-UHFFFAOYSA-N 1 0 312.167 2.432 10 0 DEAERO CC(C)[NH2+]C[C@H](O)CN(C)Cc1ccccc1Br ZINC000042441065 183270038 /nfs/dbraw/zinc/27/00/38/183270038.db2.gz DWRFUJWYLPXFRI-ZDUSSCGKSA-N 1 0 315.255 2.240 10 0 DEAERO CCCN(CCO)c1cc(Br)ccc1C[NH2+]C ZINC000042453104 183271929 /nfs/dbraw/zinc/27/19/29/183271929.db2.gz JBJVBJJBFGBFOH-UHFFFAOYSA-N 1 0 301.228 2.377 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cn2C2CC2)C1 ZINC000042549386 183284215 /nfs/dbraw/zinc/28/42/15/183284215.db2.gz XUKZGZBDFNXNFW-JTQLQIEISA-N 1 0 312.211 2.019 10 0 DEAERO CC(C)[N@@H+](CC(=O)Nc1ccc(C(N)=S)cc1)CC1CC1 ZINC000042583339 183287183 /nfs/dbraw/zinc/28/71/83/183287183.db2.gz BCXKMRJTXXGQJP-UHFFFAOYSA-N 1 0 305.447 2.380 10 0 DEAERO CC[C@H](C)[N@H+](CCOC)CCOc1cccc(C(N)=S)c1 ZINC000042583200 183287212 /nfs/dbraw/zinc/28/72/12/183287212.db2.gz ASKAYJZLQSMMHD-ZDUSSCGKSA-N 1 0 310.463 2.447 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CCC[C@@H]1C(=O)NC ZINC000043052324 183333077 /nfs/dbraw/zinc/33/30/77/183333077.db2.gz NJGGABSHIPYHST-ZNMIVQPWSA-N 1 0 309.841 2.329 10 0 DEAERO CNC(=O)C1CCN([C@@H](c2ccc(Cl)cc2)[C@@H](C)[NH3+])CC1 ZINC000042945281 183320048 /nfs/dbraw/zinc/32/00/48/183320048.db2.gz CKWNAKBJRRSIEG-IAQYHMDHSA-N 1 0 309.841 2.186 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCS(=O)CC1 ZINC000042946282 183320163 /nfs/dbraw/zinc/32/01/63/183320163.db2.gz CMQUNTJDBMDQFW-KGLIPLIRSA-N 1 0 300.855 2.183 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCC(O)CC1 ZINC000042952106 183320709 /nfs/dbraw/zinc/32/07/09/183320709.db2.gz NXLSTTVOUKVCBT-IINYFYTJSA-N 1 0 313.239 2.294 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCC[C@@H]1CO ZINC000042954168 183321161 /nfs/dbraw/zinc/32/11/61/183321161.db2.gz TWZNSLWZAOXJAI-HONMWMINSA-N 1 0 313.239 2.294 10 0 DEAERO CC(C)N(CCO)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955219 183322308 /nfs/dbraw/zinc/32/23/08/183322308.db2.gz RIKLPGIZTYONOU-ZDUSSCGKSA-N 1 0 301.228 2.152 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1cccc(C)c1 ZINC000042970481 183324282 /nfs/dbraw/zinc/32/42/82/183324282.db2.gz VAIIDZQCRHMVGU-RISCZKNCSA-N 1 0 304.419 2.231 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CCO ZINC000043021008 183329448 /nfs/dbraw/zinc/32/94/48/183329448.db2.gz QIXXUEGVJNZVTH-QWHCGFSZSA-N 1 0 301.228 2.152 10 0 DEAERO [NH3+]C[C@H](c1cccc(Br)c1)N1CCCC[C@@H]1CO ZINC000043021095 183329653 /nfs/dbraw/zinc/32/96/53/183329653.db2.gz BQMHJVWTHMIITQ-ZIAGYGMSSA-N 1 0 313.239 2.296 10 0 DEAERO C[C@H]([NH3+])c1cccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c1 ZINC000042782205 183308433 /nfs/dbraw/zinc/30/84/33/183308433.db2.gz JMDFKGVUFGCXKZ-VIFPVBQESA-N 1 0 322.352 2.422 10 0 DEAERO C[C@@H]1c2ccsc2CCN1S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042782421 183309172 /nfs/dbraw/zinc/30/91/72/183309172.db2.gz AEOMIIWHOFXPLG-NEPJUHHUSA-N 1 0 314.476 2.139 10 0 DEAERO CC(C)[C@H](C[NH+](C)C)Nc1nc2c(cc1C(N)=S)CCC2 ZINC000043408877 183359775 /nfs/dbraw/zinc/35/97/75/183359775.db2.gz VUVVUMAPLIOFME-AWEZNQCLSA-N 1 0 306.479 2.203 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCC(C(N)=O)CC1 ZINC000043252031 183346898 /nfs/dbraw/zinc/34/68/98/183346898.db2.gz BDVOAWLGFYZXEA-MFKMUULPSA-N 1 0 315.870 2.377 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCC[C@@H]1C(=O)NC ZINC000043253670 183348161 /nfs/dbraw/zinc/34/81/61/183348161.db2.gz UDTGBUHUTMPTKL-OPQQBVKSSA-N 1 0 315.870 2.390 10 0 DEAERO CCCN(CCO)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000043261588 183349067 /nfs/dbraw/zinc/34/90/67/183349067.db2.gz AATUIJXUUQNLLT-VIFPVBQESA-N 1 0 307.257 2.215 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Br)s1)N1CCCC[C@@H]1CO ZINC000043261302 183349070 /nfs/dbraw/zinc/34/90/70/183349070.db2.gz WENDTQMOQCAMAL-ZJUUUORDSA-N 1 0 319.268 2.357 10 0 DEAERO CCC[NH2+][C@H](c1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 ZINC000043301497 183352233 /nfs/dbraw/zinc/35/22/33/183352233.db2.gz YKBHTLVXNSYNCV-GOEBONIOSA-N 1 0 309.431 2.097 10 0 DEAERO C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300259 183352472 /nfs/dbraw/zinc/35/24/72/183352472.db2.gz VQZGDMUGKLTQRL-JQWIXIFHSA-N 1 0 318.236 2.144 10 0 DEAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043301286 183352514 /nfs/dbraw/zinc/35/25/14/183352514.db2.gz GWHAAWVRHCIKAB-YGRLFVJLSA-N 1 0 303.374 2.440 10 0 DEAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000043301492 183352647 /nfs/dbraw/zinc/35/26/47/183352647.db2.gz YKBHTLVXNSYNCV-ZBFHGGJFSA-N 1 0 309.431 2.097 10 0 DEAERO C[NH2+][C@H](c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300413 183352673 /nfs/dbraw/zinc/35/26/73/183352673.db2.gz HQXKFGXZUQWNFW-SKDRFNHKSA-N 1 0 307.337 2.401 10 0 DEAERO [NH3+][C@H](c1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300032 183352818 /nfs/dbraw/zinc/35/28/18/183352818.db2.gz SVRHDCGOYUVTHM-GXSJLCMTSA-N 1 0 309.309 2.020 10 0 DEAERO C[NH+]1CCC(Nc2nc3c(cc2C(N)=S)CCCC3)CC1 ZINC000043410831 183359592 /nfs/dbraw/zinc/35/95/92/183359592.db2.gz PULNIPCYZWFXFF-UHFFFAOYSA-N 1 0 304.463 2.101 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CCN(C)CC1 ZINC000043090409 183335614 /nfs/dbraw/zinc/33/56/14/183335614.db2.gz JYNFPTPLJWRGFL-FZMZJTMJSA-N 1 0 312.255 2.085 10 0 DEAERO C[NH2+][C@H](CN(C)CC(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000043900764 183389281 /nfs/dbraw/zinc/38/92/81/183389281.db2.gz RRPWVQLJHDZHAC-LLVKDONJSA-N 1 0 306.328 2.458 10 0 DEAERO C[NH2+][C@H](CN1C(=O)CCC1=O)c1cccc(C(F)(F)F)c1 ZINC000043993529 183392000 /nfs/dbraw/zinc/39/20/00/183392000.db2.gz BCQSHZVKNZYNLO-LLVKDONJSA-N 1 0 300.280 2.115 10 0 DEAERO CC(C)[C@@H](C(N)=S)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000044842010 183441804 /nfs/dbraw/zinc/44/18/04/183441804.db2.gz VUHKAPYZLIQGSE-AWEZNQCLSA-N 1 0 311.495 2.022 10 0 DEAERO CCC(CC)NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000105071917 194068425 /nfs/dbraw/zinc/06/84/25/194068425.db2.gz ZFPUMRCQNOTZFC-HZPDHXFCSA-N 1 0 324.513 2.375 10 0 DEAERO CC(C)[C@H](C)NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000105075919 194070081 /nfs/dbraw/zinc/07/00/81/194070081.db2.gz LANXHMQSIYPJJW-ULQDDVLXSA-N 1 0 324.513 2.231 10 0 DEAERO O=C(NCCc1c(F)cccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105162605 194080339 /nfs/dbraw/zinc/08/03/39/194080339.db2.gz QIRKCSDZDNRGJR-ZDUSSCGKSA-N 1 0 323.387 2.387 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C2CC2)CC1)CC(C)C ZINC000105106297 194074897 /nfs/dbraw/zinc/07/48/97/194074897.db2.gz ULICFZWDUCXERB-KRWDZBQOSA-N 1 0 324.513 2.233 10 0 DEAERO CCc1nc(CCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cs1 ZINC000105227892 194086823 /nfs/dbraw/zinc/08/68/23/194086823.db2.gz GKPVITGBJFELQJ-AWEZNQCLSA-N 1 0 322.478 2.128 10 0 DEAERO CO[C@H]1C[C@@H](CN(C)Cc2c[nH]c(-c3ccccc3)n2)[N@H+](C)C1 ZINC000284762272 218167349 /nfs/dbraw/zinc/16/73/49/218167349.db2.gz IZURMLWMAPYVLA-IRXDYDNUSA-N 1 0 314.433 2.228 10 0 DEAERO CCCCc1noc([C@H](C)N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)n1 ZINC000105826976 194138058 /nfs/dbraw/zinc/13/80/58/194138058.db2.gz QPNCEWIMWWWDHZ-QLFBSQMISA-N 1 0 324.469 2.250 10 0 DEAERO C[N@H+](CCOc1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802631 194131526 /nfs/dbraw/zinc/13/15/26/194131526.db2.gz PCMGTFBEOUYOCI-INIZCTEOSA-N 1 0 312.417 2.456 10 0 DEAERO Cc1ccc(C)c(OCCN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000105821107 194135593 /nfs/dbraw/zinc/13/55/93/194135593.db2.gz YJFGEKHPMFBFRK-IAGOWNOFSA-N 1 0 306.450 2.069 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(CCOc2cccc(Cl)c2)C[C@H]1C ZINC000105912405 194168139 /nfs/dbraw/zinc/16/81/39/194168139.db2.gz MJNJKQRTEWQQFM-ZIAGYGMSSA-N 1 0 312.841 2.106 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2c(F)cccc2Cl)C[C@@H]1C ZINC000106101180 194186167 /nfs/dbraw/zinc/18/61/67/194186167.db2.gz PSARJLWXPCUUCE-NWDGAFQWSA-N 1 0 300.805 2.366 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)COCc1ccccc1F ZINC000106379412 194205108 /nfs/dbraw/zinc/20/51/08/194205108.db2.gz BINRFLNWUOSCIU-IRXDYDNUSA-N 1 0 324.440 2.119 10 0 DEAERO CC[NH2+]C1CCN(S(=O)(=O)c2ccc(CC)s2)CC1 ZINC000049044229 183705097 /nfs/dbraw/zinc/70/50/97/183705097.db2.gz DTQTYRQGSKMJTD-UHFFFAOYSA-N 1 0 302.465 2.073 10 0 DEAERO CC(C)C[C@@H](C)OC[C@H](O)C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555611 183741207 /nfs/dbraw/zinc/74/12/07/183741207.db2.gz SEOVMRWTRSLVNT-IXDOHACOSA-N 1 0 302.503 2.364 10 0 DEAERO CC(C)NS(=O)(=O)c1ccc(N[C@H](C)CC[NH+](C)C)cc1 ZINC000049558568 183741913 /nfs/dbraw/zinc/74/19/13/183741913.db2.gz FXOWKYSDCGUXGB-CYBMUJFWSA-N 1 0 313.467 2.125 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N[C@H](C)c1ccc(F)cc1 ZINC000049645954 183751774 /nfs/dbraw/zinc/75/17/74/183751774.db2.gz JWLBZIFSHIGAHY-GFCCVEGCSA-N 1 0 302.415 2.194 10 0 DEAERO CCCN(C1(C[NH3+])CCCC1)S(=O)(=O)N1CCCC[C@@H]1C ZINC000050093212 183772518 /nfs/dbraw/zinc/77/25/18/183772518.db2.gz XBKMLYFSDYCIDR-AWEZNQCLSA-N 1 0 317.499 2.089 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](O)C(C)C)CC(C)C ZINC000153259804 284817275 /nfs/dbraw/zinc/81/72/75/284817275.db2.gz IPFGYBGZIBFVKN-LSDHHAIUSA-N 1 0 301.475 2.059 10 0 DEAERO CCC[NH2+][C@](C)(CCCn1nc(C)c(Cl)c1C)C(N)=O ZINC000050588096 183789638 /nfs/dbraw/zinc/78/96/38/183789638.db2.gz DYQXCPYOUDBCER-CQSZACIVSA-N 1 0 300.834 2.177 10 0 DEAERO C[C@@H]([NH2+]CCc1nncn1C)c1ccccc1Br ZINC000109421239 194262682 /nfs/dbraw/zinc/26/26/82/194262682.db2.gz FSXXDEUIFHZWJM-SNVBAGLBSA-N 1 0 309.211 2.471 10 0 DEAERO C[C@@H](CC(=O)N1CC[NH+]([C@H](C)C(N)=S)CC1)CC(C)(C)C ZINC000109458855 194266017 /nfs/dbraw/zinc/26/60/17/194266017.db2.gz ORQYORWMOBYAAH-QWHCGFSZSA-N 1 0 313.511 2.268 10 0 DEAERO c1c2c(sc1-c1nc(CN3CC[NH2+]CC3)no1)CCCC2 ZINC000109473393 194268367 /nfs/dbraw/zinc/26/83/67/194268367.db2.gz KLUFHSHJAHUEPU-UHFFFAOYSA-N 1 0 304.419 2.082 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1OCC1CC[NH2+]CC1 ZINC000051869637 183839881 /nfs/dbraw/zinc/83/98/81/183839881.db2.gz ORQUBIDDSQGOBP-UHFFFAOYSA-N 1 0 302.296 2.183 10 0 DEAERO O[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(Br)c1 ZINC000052014544 183847366 /nfs/dbraw/zinc/84/73/66/183847366.db2.gz ZSTSEQGKSUPWLO-RDBSUJKOSA-N 1 0 314.223 2.376 10 0 DEAERO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(Br)cn1C1CC1 ZINC000053254278 183895206 /nfs/dbraw/zinc/89/52/06/183895206.db2.gz YXEYKBHDMUFHCE-JTQLQIEISA-N 1 0 312.211 2.067 10 0 DEAERO O=S(=O)(c1ccc(NC[C@@H]2CCC[NH2+]2)cc1)C(F)(F)F ZINC000053255282 183895618 /nfs/dbraw/zinc/89/56/18/183895618.db2.gz JYFNXEOPPCURAQ-JTQLQIEISA-N 1 0 308.325 2.144 10 0 DEAERO C[NH2+]C[C@H]1CCCN1c1ccccc1S(=O)(=O)C(F)(F)F ZINC000053703755 183910574 /nfs/dbraw/zinc/91/05/74/183910574.db2.gz NHECEGDNBLCCKY-SNVBAGLBSA-N 1 0 322.352 2.168 10 0 DEAERO CCC[C@H](C(N)=S)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000110513994 194336203 /nfs/dbraw/zinc/33/62/03/194336203.db2.gz LBUHDDOJBBXENE-OAHLLOKOSA-N 1 0 309.454 2.398 10 0 DEAERO C[NH2+]CCCCn1cnc2ccc(Br)cc2c1=O ZINC000053530129 183905590 /nfs/dbraw/zinc/90/55/90/183905590.db2.gz RDSXOWKECLAZOW-UHFFFAOYSA-N 1 0 310.195 2.159 10 0 DEAERO COC(=O)CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110820530 194361129 /nfs/dbraw/zinc/36/11/29/194361129.db2.gz ROGCSJUUUFDLGI-ZDUSSCGKSA-N 1 0 312.207 2.459 10 0 DEAERO COC(=O)CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000110820527 194361221 /nfs/dbraw/zinc/36/12/21/194361221.db2.gz ROGCSJUUUFDLGI-CYBMUJFWSA-N 1 0 312.207 2.459 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)[C@@H](C)C[NH3+])c(C(F)(F)F)c1 ZINC000054344816 183935542 /nfs/dbraw/zinc/93/55/42/183935542.db2.gz SRKKVHKNLAFMPO-ZETCQYMHSA-N 1 0 303.284 2.197 10 0 DEAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000110942033 194372633 /nfs/dbraw/zinc/37/26/33/194372633.db2.gz HGIXCMKODODVRL-OAHLLOKOSA-N 1 0 314.426 2.120 10 0 DEAERO CC[C@H]([NH3+])[C@@H](SCCS(C)(=O)=O)c1cccc(OC)c1 ZINC000111004585 194380852 /nfs/dbraw/zinc/38/08/52/194380852.db2.gz BPOSCRRIMHTOEC-KBPBESRZSA-N 1 0 317.476 2.251 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1OCCOCCC)OCCO2 ZINC000111107636 194391107 /nfs/dbraw/zinc/39/11/07/194391107.db2.gz KKJGDMWADIHTRB-CABCVRRESA-N 1 0 301.427 2.093 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000189841517 284882519 /nfs/dbraw/zinc/88/25/19/284882519.db2.gz MPASIHGHNIXHQJ-JKSUJKDBSA-N 1 0 321.469 2.350 10 0 DEAERO O=S(=O)(CC[C@H]1CCCC[NH2+]1)Nc1cc(F)cc(F)c1F ZINC000061120349 184162360 /nfs/dbraw/zinc/16/23/60/184162360.db2.gz GHXXJHVLNHVGBV-SNVBAGLBSA-N 1 0 322.352 2.378 10 0 DEAERO CCCN(CC[NH+](C)C)c1nc(Cl)nc(N(CC)CC)n1 ZINC000061541622 184174126 /nfs/dbraw/zinc/17/41/26/184174126.db2.gz OYCXUOPJBBNNJV-UHFFFAOYSA-N 1 0 314.865 2.149 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1cccc(Cl)c1 ZINC000061592734 184175781 /nfs/dbraw/zinc/17/57/81/184175781.db2.gz ZJWLHDJDXDAWHH-GHMZBOCLSA-N 1 0 312.826 2.333 10 0 DEAERO CCn1c(S[C@@H](c2ccc(Cl)s2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594370 184176110 /nfs/dbraw/zinc/17/61/10/184176110.db2.gz RTDNOFMMDPAVGG-HZGVNTEJSA-N 1 0 318.855 2.487 10 0 DEAERO [NH3+]C[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccc(Cl)s1 ZINC000061594560 184176262 /nfs/dbraw/zinc/17/62/62/184176262.db2.gz HXZQASFKIIGSQX-MRVPVSSYSA-N 1 0 316.839 2.413 10 0 DEAERO C[NH2+][C@H](C)c1ccc(Sc2nc(N)cc(=O)[nH]2)c(Cl)c1 ZINC000061700322 184183954 /nfs/dbraw/zinc/18/39/54/184183954.db2.gz CTFRBANSBANCMW-SSDOTTSWSA-N 1 0 310.810 2.437 10 0 DEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941293 184197372 /nfs/dbraw/zinc/19/73/72/184197372.db2.gz PLPCPWZNBKOAMN-KGLIPLIRSA-N 1 0 307.404 2.477 10 0 DEAERO C[NH2+][C@@H]1CCCCCC[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941058 184197451 /nfs/dbraw/zinc/19/74/51/184197451.db2.gz VPXSVRRENGBUEJ-KGLIPLIRSA-N 1 0 307.404 2.477 10 0 DEAERO OC[C@]1(Nc2ccc(Br)cc2)CC[N@@H+](C2CC2)C1 ZINC000061992153 184199874 /nfs/dbraw/zinc/19/98/74/184199874.db2.gz XXPDBYQRTQSGBF-AWEZNQCLSA-N 1 0 311.223 2.460 10 0 DEAERO OC[C@]1(Nc2cccc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000061992157 184200417 /nfs/dbraw/zinc/20/04/17/184200417.db2.gz KRRLEJPUJLDFNO-AWEZNQCLSA-N 1 0 311.223 2.460 10 0 DEAERO CCCOc1nc(Cl)nc(NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000062076721 184204483 /nfs/dbraw/zinc/20/44/83/184204483.db2.gz MWZLVBOSQBINHO-NSHDSACASA-N 1 0 313.833 2.458 10 0 DEAERO CCCN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1ccc(Br)o1 ZINC000062212209 184221350 /nfs/dbraw/zinc/22/13/50/184221350.db2.gz KWBZKJRJHADFQA-PRHODGIISA-N 1 0 301.184 2.443 10 0 DEAERO CCN[C@@H](CC[N@H+](CCOC)C(CC)CC)C(=O)OCC ZINC000062525464 184241730 /nfs/dbraw/zinc/24/17/30/184241730.db2.gz JKOGCDJMGJICRD-HNNXBMFYSA-N 1 0 302.459 2.055 10 0 DEAERO CCc1nc(N2CCn3ccnc3C2)sc1C[NH2+]C1CC1 ZINC000062328113 184230875 /nfs/dbraw/zinc/23/08/75/184230875.db2.gz ZPXJUIUNWGDQBQ-UHFFFAOYSA-N 1 0 303.435 2.174 10 0 DEAERO CC[C@H]([NH3+])Cc1ccc(OCC(=O)OC)c(Br)c1 ZINC000062705054 184248894 /nfs/dbraw/zinc/24/88/94/184248894.db2.gz UETOGECXXMGFKE-JTQLQIEISA-N 1 0 316.195 2.281 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)c(OCC(C)(C)O)c(OC)c1 ZINC000062727881 184250688 /nfs/dbraw/zinc/25/06/88/184250688.db2.gz URMCOYLOZIMINC-UHFFFAOYSA-N 1 0 317.813 2.234 10 0 DEAERO CCO[C@@H](C[NH3+])CN(C)Cc1cc(Br)cs1 ZINC000062739754 184252101 /nfs/dbraw/zinc/25/21/01/184252101.db2.gz UWMBUHJIYHZTDI-JTQLQIEISA-N 1 0 307.257 2.306 10 0 DEAERO CC(C)n1c(Sc2ccc(C(N)=[NH2+])cc2Cl)n[nH]c1=O ZINC000062794918 184253053 /nfs/dbraw/zinc/25/30/53/184253053.db2.gz LDRVOGRIUZONNW-UHFFFAOYSA-N 1 0 311.798 2.241 10 0 DEAERO CC(C)(C)c1ncc(C[NH2+]C2CCS(=O)(=O)CC2)s1 ZINC000062838860 184255717 /nfs/dbraw/zinc/25/57/17/184255717.db2.gz GOKCUVICOQMPLF-UHFFFAOYSA-N 1 0 302.465 2.107 10 0 DEAERO CC[C@@]1(C(=O)Nc2ncc(Br)s2)CC[NH2+]C1 ZINC000062893768 184258886 /nfs/dbraw/zinc/25/88/86/184258886.db2.gz VHVFCJMAOBPPNL-SNVBAGLBSA-N 1 0 304.213 2.234 10 0 DEAERO O=C(NOCC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000062578341 184244630 /nfs/dbraw/zinc/24/46/30/184244630.db2.gz UXHQQBSGQGQSIK-UHFFFAOYSA-N 1 0 302.296 2.463 10 0 DEAERO CC(C)[NH2+][C@](C)(CCCOc1cccc(F)c1F)C(N)=O ZINC000062653601 184246566 /nfs/dbraw/zinc/24/65/66/184246566.db2.gz UIKUWRQDKQUARA-OAHLLOKOSA-N 1 0 300.349 2.366 10 0 DEAERO Cc1nnc(COc2ccc(CC[NH3+])cc2Br)o1 ZINC000062703803 184248373 /nfs/dbraw/zinc/24/83/73/184248373.db2.gz YUEFEJFXDCOJQB-UHFFFAOYSA-N 1 0 312.167 2.221 10 0 DEAERO Cc1nc(COc2ccc(CC[NH3+])cc2Br)no1 ZINC000062703800 184248385 /nfs/dbraw/zinc/24/83/85/184248385.db2.gz QZPXVJIXMJLNAW-UHFFFAOYSA-N 1 0 312.167 2.221 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000063210222 184278296 /nfs/dbraw/zinc/27/82/96/184278296.db2.gz YRELBWQABKRDRW-GHMZBOCLSA-N 1 0 301.312 2.490 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)c1ccc(Br)cn1 ZINC000063210040 184278382 /nfs/dbraw/zinc/27/83/82/184278382.db2.gz JYBAREFNZPGMDQ-WDEREUQCSA-N 1 0 312.211 2.234 10 0 DEAERO CCC[NH2+]Cc1ccc(OC)cc1OCCCS(C)(=O)=O ZINC000063014422 184266471 /nfs/dbraw/zinc/26/64/71/184266471.db2.gz LIXLZZDVCQYTIZ-UHFFFAOYSA-N 1 0 315.435 2.008 10 0 DEAERO C[C@H]1CCC[C@H](SCc2nc3c(cnn3C)c(NN)[nH+]2)C1 ZINC000063084380 184269868 /nfs/dbraw/zinc/26/98/68/184269868.db2.gz LTOUAZOYMZBUMH-UWVGGRQHSA-N 1 0 306.439 2.461 10 0 DEAERO CS(=O)(=O)c1ccc(S[C@H](C[NH3+])c2ccncc2)cc1 ZINC000063131273 184272191 /nfs/dbraw/zinc/27/21/91/184272191.db2.gz DOIKJVOJSVZNAH-CQSZACIVSA-N 1 0 308.428 2.277 10 0 DEAERO CS(=O)(=O)c1ccc(S[C@@H](C[NH3+])c2cccnc2)cc1 ZINC000063131264 184272432 /nfs/dbraw/zinc/27/24/32/184272432.db2.gz UBAHIBRITBUALX-AWEZNQCLSA-N 1 0 308.428 2.277 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000063138762 184273386 /nfs/dbraw/zinc/27/33/86/184273386.db2.gz HCVKGQGSYQOGLO-INIZCTEOSA-N 1 0 310.463 2.226 10 0 DEAERO CC[NH2+][C@@H](C)c1cccc(NS(=O)(=O)CCOCC)c1 ZINC000063153863 184274196 /nfs/dbraw/zinc/27/41/96/184274196.db2.gz RNAWQDVSKNKZLC-LBPRGKRZSA-N 1 0 300.424 2.135 10 0 DEAERO CN(C)C(=O)c1cccc(NC(=O)C[NH2+]C2CCCCC2)c1 ZINC000066214661 184397292 /nfs/dbraw/zinc/39/72/92/184397292.db2.gz BDCGHKKXMSZWEK-UHFFFAOYSA-N 1 0 303.406 2.249 10 0 DEAERO C[N@H+](C[C@@H](O)C1CCCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000248957341 207371050 /nfs/dbraw/zinc/37/10/50/207371050.db2.gz OVMHXBMXUDGPER-DLBZAZTESA-N 1 0 318.465 2.318 10 0 DEAERO CCOC1CC[NH+]([C@@H](C)C[C@](C)([NH2+]C(C)C)C(=O)[O-])CC1 ZINC000068628370 184494389 /nfs/dbraw/zinc/49/43/89/184494389.db2.gz KBROXEOCEDTYGU-BBRMVZONSA-N 1 0 300.443 2.107 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cncc(C)c1 ZINC000119646518 195008731 /nfs/dbraw/zinc/00/87/31/195008731.db2.gz WRMZJMVEXHBDMN-HZPDHXFCSA-N 1 0 302.422 2.158 10 0 DEAERO O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1)N1CCOCC1 ZINC000120088088 195094870 /nfs/dbraw/zinc/09/48/70/195094870.db2.gz MSMVYGWBXNGVMJ-CQSZACIVSA-N 1 0 324.371 2.036 10 0 DEAERO Cc1nn(-c2ccccc2)cc1C(=O)N(C)CCC[NH+](C)C ZINC000539416748 285076801 /nfs/dbraw/zinc/07/68/01/285076801.db2.gz SHJRTLPJDVRNAD-UHFFFAOYSA-N 1 0 300.406 2.204 10 0 DEAERO O=C(N[C@H]1CCC[NH2+]C1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000120197456 195117736 /nfs/dbraw/zinc/11/77/36/195117736.db2.gz ZUEDSDYRFGPSPX-LBPRGKRZSA-N 1 0 304.781 2.008 10 0 DEAERO CCC[NH2+][C@@H](CSc1nnc(N(C)C)s1)[C@@H]1CCOC1 ZINC000159171707 197332649 /nfs/dbraw/zinc/33/26/49/197332649.db2.gz ASWOEIGCSMXLIB-MNOVXSKESA-N 1 0 316.496 2.101 10 0 DEAERO COCCOCCCC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000159113995 197328517 /nfs/dbraw/zinc/32/85/17/197328517.db2.gz IYZXDMJONXIPKQ-CQSZACIVSA-N 1 0 303.349 2.031 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2C)cc(C[NH2+]C2CC2)c1F ZINC000159108653 197327424 /nfs/dbraw/zinc/32/74/24/197327424.db2.gz MCBCIQUYQJXPOC-YMTOWFKASA-N 1 0 312.410 2.073 10 0 DEAERO COCCOCCCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000159091069 197326263 /nfs/dbraw/zinc/32/62/63/197326263.db2.gz HSOZMURURSKICC-HNNXBMFYSA-N 1 0 303.349 2.031 10 0 DEAERO CCCNS(=O)(=O)c1cc(C)c(F)c(C[NH2+]C(C)C)c1 ZINC000159078354 197326011 /nfs/dbraw/zinc/32/60/11/197326011.db2.gz ZQUGRQAZRKJFFE-UHFFFAOYSA-N 1 0 302.415 2.320 10 0 DEAERO Cc1cc(S(=O)(=O)NC2CC2)cc(C[NH2+]C(C)C)c1F ZINC000159084136 197325726 /nfs/dbraw/zinc/32/57/26/197325726.db2.gz OJARQYJGUSPBSD-UHFFFAOYSA-N 1 0 300.399 2.073 10 0 DEAERO COC[C@H](O)C[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000540323453 285115027 /nfs/dbraw/zinc/11/50/27/285115027.db2.gz DRZDMIOLTGQWSR-WMLDXEAASA-N 1 0 316.401 2.319 10 0 DEAERO Cc1cc(C[NH2+]CC(C)C)cnc1SCCS(C)(=O)=O ZINC000158844663 197305754 /nfs/dbraw/zinc/30/57/54/197305754.db2.gz UXEKHCSABBUEIY-UHFFFAOYSA-N 1 0 316.492 2.272 10 0 DEAERO C[C@H]([NH3+])Cc1ccc(Oc2ccc(S(C)(=O)=O)cc2)nc1 ZINC000158821161 197303809 /nfs/dbraw/zinc/30/38/09/197303809.db2.gz YAAIAWFCWBUXFE-NSHDSACASA-N 1 0 306.387 2.167 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000158713423 197295797 /nfs/dbraw/zinc/29/57/97/197295797.db2.gz RNQYISXQAXPCPI-ZDUSSCGKSA-N 1 0 307.442 2.029 10 0 DEAERO Cc1ccc([C@H](C[NH3+])N(C)[C@@H]2CCOC2)c(Br)c1 ZINC000158646307 197290749 /nfs/dbraw/zinc/29/07/49/197290749.db2.gz IYJJTERMEXUWJV-RISCZKNCSA-N 1 0 313.239 2.478 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)cc(C[NH3+])c1F ZINC000158761410 197299302 /nfs/dbraw/zinc/29/93/02/197299302.db2.gz ZNGGSEMMSBQQJE-TXEJJXNPSA-N 1 0 312.410 2.013 10 0 DEAERO Nc1[nH+]c2cc(Cl)c(F)cc2n1C1CCS(=O)CC1 ZINC000158566513 197283594 /nfs/dbraw/zinc/28/35/94/197283594.db2.gz NTYWWRVMKYFKBE-UHFFFAOYSA-N 1 0 301.774 2.495 10 0 DEAERO C[C@@H]([NH2+]Cc1ccc(I)o1)[C@@H]1CCOC1 ZINC000158489906 197277288 /nfs/dbraw/zinc/27/72/88/197277288.db2.gz FTPSWKZXZLHCQY-RKDXNWHRSA-N 1 0 321.158 2.399 10 0 DEAERO CCC[C@H](C(=O)N1CCO[C@@H](c2cccc(O)c2)C1)[NH+](C)C ZINC000158250785 197256846 /nfs/dbraw/zinc/25/68/46/197256846.db2.gz QAVHOEVHWQFWQG-HZPDHXFCSA-N 1 0 306.406 2.022 10 0 DEAERO C[C@H]1OCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000158154047 197248267 /nfs/dbraw/zinc/24/82/67/197248267.db2.gz GSSBVZKFORNIDJ-YGRLFVJLSA-N 1 0 311.813 2.360 10 0 DEAERO Cc1cccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000158076555 197241921 /nfs/dbraw/zinc/24/19/21/197241921.db2.gz TZSAWDIKECYDIE-UHFFFAOYSA-N 1 0 317.433 2.170 10 0 DEAERO COc1cccc2ccc(C[NH2+]C3CCS(=O)CC3)nc21 ZINC000158021430 197236048 /nfs/dbraw/zinc/23/60/48/197236048.db2.gz SKCIVGFQWLGPJF-UHFFFAOYSA-N 1 0 304.415 2.244 10 0 DEAERO C[C@@H]([NH3+])CCS(=O)(=O)Cc1cccc(F)c1Br ZINC000157999329 197234125 /nfs/dbraw/zinc/23/41/25/197234125.db2.gz LRFFRXVBQKXBNJ-MRVPVSSYSA-N 1 0 324.215 2.240 10 0 DEAERO O=C(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1cccc(Cl)c1 ZINC000157968333 197231141 /nfs/dbraw/zinc/23/11/41/197231141.db2.gz YCEVSTMYWFCDIK-UKRRQHHQSA-N 1 0 307.825 2.495 10 0 DEAERO C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000246913181 296389404 /nfs/dbraw/zinc/38/94/04/296389404.db2.gz FXPMEHCCHPIJIM-NUJGCVRESA-N 1 0 323.481 2.055 10 0 DEAERO C[C@](F)(C[C@@H]1CCCN(S(C)(=O)=O)C1)C[C@@H]1CCCC[NH2+]1 ZINC000157483302 197190598 /nfs/dbraw/zinc/19/05/98/197190598.db2.gz BGCXOMUXPNQSEW-KKUMJFAQSA-N 1 0 320.474 2.309 10 0 DEAERO CCC[NH2+][C@@](C)(CCCC[N@H+](C)CCOC(C)C)C(=O)[O-] ZINC000157511948 197193363 /nfs/dbraw/zinc/19/33/63/197193363.db2.gz FYODXGZPOVLNAC-INIZCTEOSA-N 1 0 302.459 2.356 10 0 DEAERO Cc1cc(Oc2cc(NN)[nH+]c(N)n2)ccc1Br ZINC000157451669 197187852 /nfs/dbraw/zinc/18/78/52/197187852.db2.gz VGYZTGORFGJYOV-UHFFFAOYSA-N 1 0 310.155 2.208 10 0 DEAERO CCNc1nnc(C(=O)N[C@H](C)CCC[NH+](CC)CC)s1 ZINC000157286323 197176436 /nfs/dbraw/zinc/17/64/36/197176436.db2.gz PBSBRCDCGIZOBF-LLVKDONJSA-N 1 0 313.471 2.210 10 0 DEAERO CCC[NH2+]C[C@H](O)COc1c(Br)cccc1OC ZINC000157197760 197169357 /nfs/dbraw/zinc/16/93/57/197169357.db2.gz BXBXKRLFBAKMEX-JTQLQIEISA-N 1 0 318.211 2.197 10 0 DEAERO CSc1nsc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000157049764 197158575 /nfs/dbraw/zinc/15/85/75/197158575.db2.gz YOWYYLISMNJBHV-BDAKNGLRSA-N 1 0 315.468 2.110 10 0 DEAERO Cc1ccc(C[C@@H](C)[N@H+](C)CC(=O)NC2CCOCC2)cc1 ZINC000156904102 197149293 /nfs/dbraw/zinc/14/92/93/197149293.db2.gz FRGVCTBGLZGCOT-OAHLLOKOSA-N 1 0 304.434 2.153 10 0 DEAERO Cc1cc(C[NH2+]CCOCC2CCC2)ccc1-n1cncn1 ZINC000558649033 291898015 /nfs/dbraw/zinc/89/80/15/291898015.db2.gz CBUBTCSCYSZNPK-UHFFFAOYSA-N 1 0 300.406 2.482 10 0 DEAERO Cc1cc(N2CCO[C@@H]3CCCC[C@@H]32)c(C(N)=S)c(C)[nH+]1 ZINC000156660648 197131364 /nfs/dbraw/zinc/13/13/64/197131364.db2.gz DMKAGMSUNJNQFW-GXTWGEPZSA-N 1 0 305.447 2.480 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000189809841 533145036 /nfs/dbraw/zinc/14/50/36/533145036.db2.gz JAHHQICJJARHMH-ZDUSSCGKSA-N 1 0 320.437 2.325 10 0 DEAERO CCOC(=O)[C@]1(NCc2cccs2)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156542099 197122064 /nfs/dbraw/zinc/12/20/64/197122064.db2.gz GWVSKNUZHJZOJM-CJNGLKHVSA-N 1 0 308.447 2.398 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H]([NH3+])c1ccnc(C)n1 ZINC000156502416 197118723 /nfs/dbraw/zinc/11/87/23/197118723.db2.gz VLPVRVYPTDNROJ-SNVBAGLBSA-N 1 0 324.226 2.315 10 0 DEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)NC[C@@H]2CCCCS2)cc1 ZINC000156469630 197115814 /nfs/dbraw/zinc/11/58/14/197115814.db2.gz IAHDJPNFEDHODL-AAEUAGOBSA-N 1 0 314.476 2.270 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1c(F)cccc1OC ZINC000156111895 197087966 /nfs/dbraw/zinc/08/79/66/197087966.db2.gz RALXRULSLVGBDN-GFCCVEGCSA-N 1 0 303.399 2.310 10 0 DEAERO COc1cccc2sc(C(=O)NC[C@H](C)[NH+](C)C)c(N)c21 ZINC000156177453 197093166 /nfs/dbraw/zinc/09/31/66/197093166.db2.gz DWGOXSBLDAHFRE-VIFPVBQESA-N 1 0 307.419 2.172 10 0 DEAERO COc1cccc(C[C@@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)n1 ZINC000558698065 291903420 /nfs/dbraw/zinc/90/34/20/291903420.db2.gz NFPIRJWXTHFZAY-IUODEOHRSA-N 1 0 300.406 2.422 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1C[NH3+])[S@](=O)CC1CCCC1 ZINC000156070715 197084347 /nfs/dbraw/zinc/08/43/47/197084347.db2.gz BJIVVGBUJPHTCF-QKVFXAPYSA-N 1 0 308.447 2.411 10 0 DEAERO C[C@H]1CN(C(=O)c2cccc(F)c2Br)CC[C@@H]1[NH3+] ZINC000156014822 197080729 /nfs/dbraw/zinc/08/07/29/197080729.db2.gz NDHQOAFRMSJEGA-KWQFWETISA-N 1 0 315.186 2.398 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1Br ZINC000155985692 197078550 /nfs/dbraw/zinc/07/85/50/197078550.db2.gz BDVKHUMDRIKLJB-ZJUUUORDSA-N 1 0 301.159 2.198 10 0 DEAERO O=C(NCCC[NH2+]C1CC1)c1cccc(F)c1Br ZINC000155971077 197078102 /nfs/dbraw/zinc/07/81/02/197078102.db2.gz WRHCUQHKGMUKII-UHFFFAOYSA-N 1 0 315.186 2.460 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)C[S@@](=O)c2ccccc2F)cc1 ZINC000155942134 197076176 /nfs/dbraw/zinc/07/61/76/197076176.db2.gz OBLDBIJEPWVBPW-NRFANRHFSA-N 1 0 306.362 2.031 10 0 DEAERO CC(C)C[C@](C)(C[NH3+])Nc1ccccc1S(=O)(=O)N(C)C ZINC000155931474 197075977 /nfs/dbraw/zinc/07/59/77/197075977.db2.gz XJEGFVAJRVWLKP-OAHLLOKOSA-N 1 0 313.467 2.112 10 0 DEAERO CSc1nc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c2ccccn21 ZINC000155620413 197072676 /nfs/dbraw/zinc/07/26/76/197072676.db2.gz NKIOFKOYYQNTPT-TXEJJXNPSA-N 1 0 318.446 2.221 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155611279 197072054 /nfs/dbraw/zinc/07/20/54/197072054.db2.gz BDYDCPCTCDPJEV-OKILXGFUSA-N 1 0 320.481 2.249 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(-c2ncn(C)n2)cc1)[NH+](C)C ZINC000155098130 197021343 /nfs/dbraw/zinc/02/13/43/197021343.db2.gz GRTDEVPNZFNPKK-CQSZACIVSA-N 1 0 301.394 2.151 10 0 DEAERO C[C@H]1CC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000154986586 197010771 /nfs/dbraw/zinc/01/07/71/197010771.db2.gz BXRGACUQIIDATO-GJZGRUSLSA-N 1 0 323.481 2.460 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1csc(Br)c1 ZINC000153105530 196852040 /nfs/dbraw/zinc/85/20/40/196852040.db2.gz ALQIQZNIAOADLB-HTQZYQBOSA-N 1 0 303.225 2.333 10 0 DEAERO COc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(C)n1 ZINC000120879985 195255410 /nfs/dbraw/zinc/25/54/10/195255410.db2.gz JWPPVWCHWZVGIS-WCQYABFASA-N 1 0 304.394 2.099 10 0 DEAERO C[C@H](CNC(=O)N(C)CCC[NH+](C)C)COCc1ccccc1 ZINC000543677635 285301769 /nfs/dbraw/zinc/30/17/69/285301769.db2.gz NUGJZETUMKHXMG-MRXNPFEDSA-N 1 0 321.465 2.432 10 0 DEAERO CN(C)C(=O)[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccccc2F)O1 ZINC000248024661 257111080 /nfs/dbraw/zinc/11/10/80/257111080.db2.gz RZAOVLZIBZJUIY-JYJNAYRXSA-N 1 0 306.381 2.036 10 0 DEAERO c1ccc(CO[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3C2CCOCC2)nc1 ZINC000247845221 257116345 /nfs/dbraw/zinc/11/63/45/257116345.db2.gz PLJLRCXBEIUMFG-KURKYZTESA-N 1 0 318.417 2.009 10 0 DEAERO COCCN1CCO[C@@H]2CC[N@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000247841139 257116453 /nfs/dbraw/zinc/11/64/53/257116453.db2.gz KYCOVKLKLIMRPX-IAGOWNOFSA-N 1 0 324.852 2.262 10 0 DEAERO O=C(NCC1CC1)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2O1 ZINC000096065461 257136569 /nfs/dbraw/zinc/13/65/69/257136569.db2.gz IRTWMMXXPWDVEM-BZSNNMDCSA-N 1 0 314.429 2.192 10 0 DEAERO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CCC3)C2=O)n(C)n1 ZINC000560941458 291949477 /nfs/dbraw/zinc/94/94/77/291949477.db2.gz BBENSZJCDAGMEL-ZNMIVQPWSA-N 1 0 302.422 2.002 10 0 DEAERO CC1CC[NH+](CCCCNC(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000071935643 184909712 /nfs/dbraw/zinc/90/97/12/184909712.db2.gz LQVWJCCVEYHPFM-HOTGVXAUSA-N 1 0 311.470 2.317 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000121908534 195372466 /nfs/dbraw/zinc/37/24/66/195372466.db2.gz BZMXXSQVGAMYCJ-INIZCTEOSA-N 1 0 318.465 2.076 10 0 DEAERO CC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C)CC[C@@H]1[NH3+] ZINC000122677588 195485335 /nfs/dbraw/zinc/48/53/35/195485335.db2.gz FBHZXECFRWHQRJ-AAEUAGOBSA-N 1 0 316.854 2.396 10 0 DEAERO [NH3+]CC[C@H]([S@@](=O)c1ccc2c(c1)OCCCO2)C(F)(F)F ZINC000124659503 195665674 /nfs/dbraw/zinc/66/56/74/195665674.db2.gz NARMHOHTBQEAFI-LAJNKCICSA-N 1 0 323.336 2.235 10 0 DEAERO CC[NH2+][C@H](Cc1c(Br)c(C)nn1C)[C@H](CC)OC ZINC000124498948 195648181 /nfs/dbraw/zinc/64/81/81/195648181.db2.gz FBQSYDPTKAAMKW-PWSUYJOCSA-N 1 0 318.259 2.437 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)NC[C@@H](C)C(C)(C)C)cc1 ZINC000126109848 195810491 /nfs/dbraw/zinc/81/04/91/195810491.db2.gz XATUHOJLTYMMMZ-CYBMUJFWSA-N 1 0 312.479 2.409 10 0 DEAERO CCCCOCCOCCOCCO[C@H](C)C[NH2+]CCC ZINC000127242593 195860242 /nfs/dbraw/zinc/86/02/42/195860242.db2.gz OWZJGFDNWRAGKS-MRXNPFEDSA-N 1 0 305.459 2.241 10 0 DEAERO CCO[C@H](C(C)C)[C@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000128209287 195945820 /nfs/dbraw/zinc/94/58/20/195945820.db2.gz GZXNDSPBWRFWJX-ZWNOBZJWSA-N 1 0 318.259 2.422 10 0 DEAERO COC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C1CC1 ZINC000157208284 285392970 /nfs/dbraw/zinc/39/29/70/285392970.db2.gz JZNMFHJOMWLISF-HOTGVXAUSA-N 1 0 305.422 2.014 10 0 DEAERO COc1cc(C)c(C[N@H+](C)C[C@@H](O)COC(C)C)cc1OC ZINC000194893178 533568173 /nfs/dbraw/zinc/56/81/73/533568173.db2.gz DWFQWUWGOKRSIM-OAHLLOKOSA-N 1 0 311.422 2.230 10 0 DEAERO C[C@H](NC(=O)c1cccc2ncnn21)[C@H](c1ccccc1)[NH+](C)C ZINC000545317736 285422365 /nfs/dbraw/zinc/42/23/65/285422365.db2.gz UZZCRAATBLICTP-SUMWQHHRSA-N 1 0 323.400 2.151 10 0 DEAERO Cc1cc(C)cc(OCCCN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000177713603 132529232 /nfs/dbraw/zinc/52/92/32/132529232.db2.gz SHYWVDGDSNWMBT-GOSISDBHSA-N 1 0 306.450 2.335 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+]C2CC(C(C)C)C2)CC1 ZINC000233257644 132554118 /nfs/dbraw/zinc/55/41/18/132554118.db2.gz VXLNORKXCZWZDT-UHFFFAOYSA-N 1 0 302.484 2.215 10 0 DEAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCCSC)[C@@H](C)C1 ZINC000246169737 132577378 /nfs/dbraw/zinc/57/73/78/132577378.db2.gz PQMUJLYSHPRAPL-LSDHHAIUSA-N 1 0 316.511 2.383 10 0 DEAERO C[C@H](NC(=O)C1C[NH2+]C1)c1cccc(OCc2ccccn2)c1 ZINC000263343592 132583112 /nfs/dbraw/zinc/58/31/12/132583112.db2.gz YGTPROUAXGZNIH-ZDUSSCGKSA-N 1 0 311.385 2.057 10 0 DEAERO c1ccc2nc(CC[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)ccc2c1 ZINC000422792506 285528462 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Cc1nn2c(C[NH2+]CCN3CC=C(C)CC3)c(C)nc2s1 ZINC000358127867 133122826 /nfs/dbraw/zinc/12/28/26/133122826.db2.gz CJFKKOLRBITYIP-UHFFFAOYSA-N 1 0 305.451 2.149 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCc3sccc3C2)CC1 ZINC000358137705 133123671 /nfs/dbraw/zinc/12/36/71/133123671.db2.gz MICXMDVRDNBHPC-UHFFFAOYSA-N 1 0 305.447 2.468 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCCCc2ccc(O)cc2)CC1 ZINC000358165143 133125754 /nfs/dbraw/zinc/12/57/54/133125754.db2.gz KLVRAHKAUHGMDY-UHFFFAOYSA-N 1 0 317.433 2.276 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCc2cc(F)ccc2F)CC1 ZINC000358183546 133126884 /nfs/dbraw/zinc/12/68/84/133126884.db2.gz FIBBUSOXENUWNS-UHFFFAOYSA-N 1 0 309.360 2.416 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000358234254 133130318 /nfs/dbraw/zinc/13/03/18/133130318.db2.gz KWSOLGREVCWMKX-UHFFFAOYSA-N 1 0 322.497 2.060 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(COC(C)(C)C)on1 ZINC000362426349 133229591 /nfs/dbraw/zinc/22/95/91/133229591.db2.gz CNDBKEPCHCDCQS-OAHLLOKOSA-N 1 0 323.437 2.480 10 0 DEAERO COC[C@@H](Cc1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC000362878564 133256965 /nfs/dbraw/zinc/25/69/65/133256965.db2.gz XGBGCMMFGXXQLE-QGZVFWFLSA-N 1 0 304.434 2.092 10 0 DEAERO Cc1ccccc1C1CC([NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)C1 ZINC000368405703 133272140 /nfs/dbraw/zinc/27/21/40/133272140.db2.gz UMTXRAWUYNISCV-DQPZFDDXSA-N 1 0 324.428 2.370 10 0 DEAERO Cc1c[nH+]ccc1N1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000376423423 133294143 /nfs/dbraw/zinc/29/41/43/133294143.db2.gz WURSSHSPQVFOMU-CYBMUJFWSA-N 1 0 313.405 2.199 10 0 DEAERO c1cnn([C@H]2CCCC[C@@H]2[NH2+]Cc2nnc3n2CCCCC3)c1 ZINC000330127627 285560447 /nfs/dbraw/zinc/56/04/47/285560447.db2.gz MZOGXXVNSCIOTP-GJZGRUSLSA-N 1 0 314.437 2.475 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccsc1)N1CCN(c2ccccn2)CC1 ZINC000043115904 134732306 /nfs/dbraw/zinc/73/23/06/134732306.db2.gz PMAXGILUWWHXCQ-BBRMVZONSA-N 1 0 302.447 2.354 10 0 DEAERO C/C=C\c1ccc(OCC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000563166831 292035794 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COc1cnccc1[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000187476402 144999771 /nfs/dbraw/zinc/99/97/71/144999771.db2.gz CCKVIUMLLUCFPN-ZIAGYGMSSA-N 1 0 318.421 2.031 10 0 DEAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc2ccccc2oc1=O ZINC000188722926 145016250 /nfs/dbraw/zinc/01/62/50/145016250.db2.gz DQDNATVCOJFCFF-UHFFFAOYSA-N 1 0 320.348 2.326 10 0 DEAERO O=C(c1c[nH]nc1-c1ccccc1F)N1CC[NH+]2CCC1CC2 ZINC000188855188 145018601 /nfs/dbraw/zinc/01/86/01/145018601.db2.gz ZOWNZODBBBZYKN-UHFFFAOYSA-N 1 0 314.364 2.136 10 0 DEAERO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccccn1 ZINC000188973490 145020619 /nfs/dbraw/zinc/02/06/19/145020619.db2.gz GNFAQGFDNJZEPZ-BLLLJJGKSA-N 1 0 317.339 2.235 10 0 DEAERO Cc1cccc(CS(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000189138093 145023255 /nfs/dbraw/zinc/02/32/55/145023255.db2.gz GVIONFUVLSPPKM-INIZCTEOSA-N 1 0 312.479 2.391 10 0 DEAERO CC(C)OC1CC([NH2+][C@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000189569465 145029974 /nfs/dbraw/zinc/02/99/74/145029974.db2.gz MKNNHWDCKBQBTF-BCLQGDPASA-N 1 0 303.406 2.123 10 0 DEAERO CC1(C)C[N@H+](CCN2C(=O)CCC2=O)CC[C@H]1C(F)(F)F ZINC000190164054 145038624 /nfs/dbraw/zinc/03/86/24/145038624.db2.gz RJWISIOSHAPPRR-SNVBAGLBSA-N 1 0 306.328 2.046 10 0 DEAERO COC[C@H](C)[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190492119 145043285 /nfs/dbraw/zinc/04/32/85/145043285.db2.gz VZMHXYKUGBIFIZ-GJZGRUSLSA-N 1 0 314.470 2.149 10 0 DEAERO CCc1nnc(C2CC[NH+]([C@H]3Cc4ccccc4[C@@H]3O)CC2)[nH]1 ZINC000190710800 145046077 /nfs/dbraw/zinc/04/60/77/145046077.db2.gz RBLKBQXBMPMPJR-RDJZCZTQSA-N 1 0 312.417 2.205 10 0 DEAERO O=C(c1ccc(C(F)(F)F)nc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190744617 145047043 /nfs/dbraw/zinc/04/70/43/145047043.db2.gz FJRLOPMZHIXSHU-NSHDSACASA-N 1 0 313.323 2.457 10 0 DEAERO O=C1CCCCN1C1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000190717621 145047089 /nfs/dbraw/zinc/04/70/89/145047089.db2.gz JWQYPUVIKQVSGI-QGZVFWFLSA-N 1 0 308.466 2.405 10 0 DEAERO O[C@H](C[NH+]1CCN(Cc2cccnc2)CC1)C1CCCCC1 ZINC000190985057 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CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCc2ccccc2F)CC[C@H]1C ZINC000251506966 145194192 /nfs/dbraw/zinc/19/41/92/145194192.db2.gz BXPRARQJDAEOQM-XJKCOSOUSA-N 1 0 308.397 2.187 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251691895 145195380 /nfs/dbraw/zinc/19/53/80/145195380.db2.gz IBXGMYBVZZVYJI-DOMZBBRYSA-N 1 0 321.396 2.212 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)CC[C@H]1C ZINC000252059646 145198288 /nfs/dbraw/zinc/19/82/88/145198288.db2.gz ZPXJVMZYOYLCTO-XNRPHZJLSA-N 1 0 313.825 2.437 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc(N)nc(Cl)c1 ZINC000252661487 145200017 /nfs/dbraw/zinc/20/00/17/145200017.db2.gz LDHWNCGPXUWOSH-PWSUYJOCSA-N 1 0 308.813 2.016 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccon1 ZINC000252977890 145200883 /nfs/dbraw/zinc/20/08/83/145200883.db2.gz WBZBSGAWDPVYSP-TZMCWYRMSA-N 1 0 315.377 2.102 10 0 DEAERO CO[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000252801350 145200956 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Cc1ccc(C(=O)CCC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1C ZINC000261702578 145218233 /nfs/dbraw/zinc/21/82/33/145218233.db2.gz JKVNXSRXUNJWGT-HUUCEWRRSA-N 1 0 302.418 2.462 10 0 DEAERO C[C@@H]1CCC[C@H](C)N1C(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261783848 145225957 /nfs/dbraw/zinc/22/59/57/145225957.db2.gz PPLYBHYAONDCFF-CALCHBBNSA-N 1 0 317.477 2.279 10 0 DEAERO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261845350 145233192 /nfs/dbraw/zinc/23/31/92/145233192.db2.gz QXCDTBMCEWSXIA-GWCFXTLKSA-N 1 0 311.376 2.351 10 0 DEAERO O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000261852133 145233705 /nfs/dbraw/zinc/23/37/05/145233705.db2.gz OVDFDZSBIKDZEB-CHWSQXEVSA-N 1 0 323.387 2.049 10 0 DEAERO O=C(CC[C@H]1CC[NH2+]C1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000261852143 145233846 /nfs/dbraw/zinc/23/38/46/145233846.db2.gz OVDFDZSBIKDZEB-STQMWFEESA-N 1 0 323.387 2.049 10 0 DEAERO CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000261864338 145235493 /nfs/dbraw/zinc/23/54/93/145235493.db2.gz KRQIHGCAELIESA-CJNGLKHVSA-N 1 0 318.417 2.063 10 0 DEAERO Cc1ccccc1CNC(=O)[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261872754 145235940 /nfs/dbraw/zinc/23/59/40/145235940.db2.gz TVBGQKRLOKKGTH-HOCLYGCPSA-N 1 0 303.450 2.059 10 0 DEAERO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261871285 145236395 /nfs/dbraw/zinc/23/63/95/145236395.db2.gz SYLJTESCAGWRSA-WFASDCNBSA-N 1 0 305.422 2.081 10 0 DEAERO Cc1cc(C)cc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261875860 145236437 /nfs/dbraw/zinc/23/64/37/145236437.db2.gz DRJHEZCQNFQIPO-IPMKNSEASA-N 1 0 318.461 2.429 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCc1cccc(F)c1 ZINC000261876653 145236940 /nfs/dbraw/zinc/23/69/40/145236940.db2.gz LYFSNGYGWRJNLR-IIDMSEBBSA-N 1 0 320.408 2.017 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000261914263 145240677 /nfs/dbraw/zinc/24/06/77/145240677.db2.gz YORKDPYVFPFACL-DVZHBHJUSA-N 1 0 315.417 2.090 10 0 DEAERO c1c(CN2CC[NH2+]C[C@H]2c2ccncc2)[nH]nc1-c1cccnc1 ZINC000261921311 145241847 /nfs/dbraw/zinc/24/18/47/145241847.db2.gz BREKKODWZDCAKX-SFHVURJKSA-N 1 0 320.400 2.013 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261923753 145242350 /nfs/dbraw/zinc/24/23/50/145242350.db2.gz YYKBWFZIVGEPHB-HZMBPMFUSA-N 1 0 311.376 2.351 10 0 DEAERO c1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)CC2)cc1 ZINC000261961614 145247120 /nfs/dbraw/zinc/24/71/20/145247120.db2.gz PQYPASYQXMKVFS-KSZLIROESA-N 1 0 300.446 2.465 10 0 DEAERO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261995683 145251339 /nfs/dbraw/zinc/25/13/39/145251339.db2.gz UBINNYFUANIQBS-OJLVUWQFSA-N 1 0 318.465 2.054 10 0 DEAERO O=C(CCOc1cccc(Cl)c1Cl)NCC1C[NH2+]C1 ZINC000262009896 145253045 /nfs/dbraw/zinc/25/30/45/145253045.db2.gz JDNJAZONPKALCU-UHFFFAOYSA-N 1 0 303.189 2.098 10 0 DEAERO Cc1ncc(-c2ccc(NC(=O)C3(C[NH3+])CCOCC3)cc2)o1 ZINC000262024061 145254740 /nfs/dbraw/zinc/25/47/40/145254740.db2.gz WVXASKVEAPYCFM-UHFFFAOYSA-N 1 0 315.373 2.344 10 0 DEAERO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000262033326 145255492 /nfs/dbraw/zinc/25/54/92/145255492.db2.gz XTRJHJUDELURTL-WKULXVSPSA-N 1 0 310.482 2.328 10 0 DEAERO C[C@H]1CCCC[C@@H]1OCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262036580 145255560 /nfs/dbraw/zinc/25/55/60/145255560.db2.gz FSIWQEQTIQFQAK-NBOOPKSLSA-N 1 0 308.466 2.478 10 0 DEAERO COc1ccccc1OCCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262091727 145260280 /nfs/dbraw/zinc/26/02/80/145260280.db2.gz ULZXXGUOKVTYAE-OAHLLOKOSA-N 1 0 306.406 2.050 10 0 DEAERO C[C@@]1(CN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000262085365 145260500 /nfs/dbraw/zinc/26/05/00/145260500.db2.gz UGRKNFZUWSIEQX-NVXWUHKLSA-N 1 0 320.412 2.021 10 0 DEAERO CC1(C)CN(C(=O)c2cc(-c3cccs3)n[nH]2)CC[C@@H]1[NH3+] ZINC000262113361 145262871 /nfs/dbraw/zinc/26/28/71/145262871.db2.gz VVRJLVPWVQXFJP-ZDUSSCGKSA-N 1 0 304.419 2.338 10 0 DEAERO COCc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)o1 ZINC000262137847 145265627 /nfs/dbraw/zinc/26/56/27/145265627.db2.gz DPHOWUJFDFBKKT-ZBFHGGJFSA-N 1 0 314.385 2.241 10 0 DEAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 ZINC000262171346 145267425 /nfs/dbraw/zinc/26/74/25/145267425.db2.gz ATNFAYKWTRPFRS-CYBMUJFWSA-N 1 0 303.362 2.377 10 0 DEAERO CC1(C)CN(C(=O)CCn2cnc3ccccc32)CC[C@H]1[NH3+] ZINC000262190912 145268378 /nfs/dbraw/zinc/26/83/78/145268378.db2.gz ZPPPHKZBTUIWTF-OAHLLOKOSA-N 1 0 300.406 2.012 10 0 DEAERO C[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)C1C[NH2+]C1 ZINC000262245656 145271871 /nfs/dbraw/zinc/27/18/71/145271871.db2.gz SAIJYENLPJFKMX-ZDUSSCGKSA-N 1 0 304.434 2.335 10 0 DEAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(C2CCCCC2)cc1 ZINC000262320333 145276417 /nfs/dbraw/zinc/27/64/17/145276417.db2.gz RHDPJPRZAVSCRH-DLBZAZTESA-N 1 0 302.418 2.044 10 0 DEAERO Cc1cc(C)c(NC(=O)CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000262391861 145280571 /nfs/dbraw/zinc/28/05/71/145280571.db2.gz BHNRMHNHQHMCIT-UONOGXRCSA-N 1 0 321.852 2.437 10 0 DEAERO CCOC(=O)C1CCC(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000262420106 145282742 /nfs/dbraw/zinc/28/27/42/145282742.db2.gz DYCBTKAERPXZMZ-SHWKFHJASA-N 1 0 310.438 2.132 10 0 DEAERO C[C@H](C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1)C1C[NH2+]C1 ZINC000262434364 145283484 /nfs/dbraw/zinc/28/34/84/145283484.db2.gz UDNHZUMGMSONAZ-LBPRGKRZSA-N 1 0 324.384 2.128 10 0 DEAERO CC(C)(C)c1nnc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000262459491 145284911 /nfs/dbraw/zinc/28/49/11/145284911.db2.gz JESCANZGMHGTTF-SRVKXCTJSA-N 1 0 322.478 2.373 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@@H]3CCC[C@@H]3C[NH3+])nc21 ZINC000262579182 145294987 /nfs/dbraw/zinc/29/49/87/145294987.db2.gz LHKARSUQAIFLPW-CHWSQXEVSA-N 1 0 300.406 2.048 10 0 DEAERO COC(=O)c1ccc(OC(C)C)c(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000262584547 145295472 /nfs/dbraw/zinc/29/54/72/145295472.db2.gz VDOYTOPHYZWOFL-NSHDSACASA-N 1 0 320.389 2.054 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCC(=O)c1ccc(F)cc1F ZINC000262722758 145301960 /nfs/dbraw/zinc/30/19/60/145301960.db2.gz GFXIVDXGRXGAIC-IINYFYTJSA-N 1 0 310.344 2.042 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000262727048 145302111 /nfs/dbraw/zinc/30/21/11/145302111.db2.gz HNZYHQXVSXFTRF-IAQYHMDHSA-N 1 0 318.808 2.254 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCC(=O)c1ccc(F)cc1F ZINC000262722760 145302180 /nfs/dbraw/zinc/30/21/80/145302180.db2.gz GFXIVDXGRXGAIC-YGRLFVJLSA-N 1 0 310.344 2.042 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000262765695 145303980 /nfs/dbraw/zinc/30/39/80/145303980.db2.gz KUZHFGYCBKUGGA-QWRGUYRKSA-N 1 0 316.492 2.322 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000262776044 145304148 /nfs/dbraw/zinc/30/41/48/145304148.db2.gz NILMNYYVFQHEBD-QPUJVOFHSA-N 1 0 323.245 2.270 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262786586 145304761 /nfs/dbraw/zinc/30/47/61/145304761.db2.gz MPUKHMSDCVFGLP-SUMWQHHRSA-N 1 0 320.481 2.203 10 0 DEAERO CCCC(=O)NCC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000263012257 145318142 /nfs/dbraw/zinc/31/81/42/145318142.db2.gz RHTXIGUBPAVUMN-UHFFFAOYSA-N 1 0 317.311 2.019 10 0 DEAERO COc1cccc([C@H](C)Cc2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263199772 145335603 /nfs/dbraw/zinc/33/56/03/145335603.db2.gz IWEWKGHTSQDFMG-DOMZBBRYSA-N 1 0 316.405 2.001 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2csc(C(C)(C)C)n2)n1 ZINC000263198695 145335613 /nfs/dbraw/zinc/33/56/13/145335613.db2.gz ISWWHTAKSNICQT-SNVBAGLBSA-N 1 0 307.423 2.067 10 0 DEAERO C[C@@H](O)C1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000304300700 145340076 /nfs/dbraw/zinc/34/00/76/145340076.db2.gz OITDFJCTZHYOHK-GFCCVEGCSA-N 1 0 311.470 2.098 10 0 DEAERO COCC[C@H](COC)[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000309701186 145350400 /nfs/dbraw/zinc/35/04/00/145350400.db2.gz GBQSNUJPEVSGRA-NXHRZFHOSA-N 1 0 306.450 2.291 10 0 DEAERO Cc1cnn([C@@H]2CCCN(C(=O)N[C@H]3CC[C@@H]([NH+](C)C)C3)C2)c1 ZINC000332779484 145388110 /nfs/dbraw/zinc/38/81/10/145388110.db2.gz OVSJLEYVSVWOOP-ARFHVFGLSA-N 1 0 319.453 2.021 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000336719528 145397944 /nfs/dbraw/zinc/39/79/44/145397944.db2.gz SONLNJKMJLCXBC-MRXNPFEDSA-N 1 0 304.434 2.128 10 0 DEAERO c1nn2ccncc2c1-c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000347193408 146208160 /nfs/dbraw/zinc/20/81/60/146208160.db2.gz HEXTYPSWVFPNIE-UHFFFAOYSA-N 1 0 303.285 2.094 10 0 DEAERO C[C@](O)(CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000358676482 147179445 /nfs/dbraw/zinc/17/94/45/147179445.db2.gz DHMDWMGSLVAFPE-NUJGCVRESA-N 1 0 323.481 2.244 10 0 DEAERO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc3cc[nH]c3n2)C[C@H]1C ZINC000360715628 147373375 /nfs/dbraw/zinc/37/33/75/147373375.db2.gz TWJGJSDPAMOBSU-CHWSQXEVSA-N 1 0 315.421 2.187 10 0 DEAERO O=C(COCc1ccccc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371231167 148075679 /nfs/dbraw/zinc/07/56/79/148075679.db2.gz OJONBKMXBOQPIG-DLBZAZTESA-N 1 0 302.418 2.194 10 0 DEAERO COCc1cccc(CNC(=O)C[N@@H+]2CCCC23CCC3)c1 ZINC000373103996 148211258 /nfs/dbraw/zinc/21/12/58/148211258.db2.gz KTXXOXVVLNSUQZ-UHFFFAOYSA-N 1 0 302.418 2.468 10 0 DEAERO COc1ccc(O)cc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000408440232 148605735 /nfs/dbraw/zinc/60/57/35/148605735.db2.gz ZQHWJSKQVFHINH-AWEZNQCLSA-N 1 0 318.417 2.205 10 0 DEAERO CCc1cnc(CCNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000073659855 401720176 /nfs/dbraw/zinc/72/01/76/401720176.db2.gz CBTYWARNGMIBRH-CYBMUJFWSA-N 1 0 324.494 2.279 10 0 DEAERO CC(C)c1ccc(C[N@H+](C)C[C@@H](O)CN2CCCC2=O)cc1 ZINC000111683137 401720663 /nfs/dbraw/zinc/72/06/63/401720663.db2.gz SCTCKOPYHSVTJX-QGZVFWFLSA-N 1 0 304.434 2.225 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000111713078 401722286 /nfs/dbraw/zinc/72/22/86/401722286.db2.gz QVNXNZPKNDEPHD-MNOVXSKESA-N 1 0 302.465 2.058 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000073896255 401724043 /nfs/dbraw/zinc/72/40/43/401724043.db2.gz LLERNUWBHSHDTM-BBRMVZONSA-N 1 0 315.417 2.107 10 0 DEAERO C[C@H]1CCC[C@@](CNC(=O)c2cnn3c2CCCC3)([NH+](C)C)C1 ZINC000127224875 401725362 /nfs/dbraw/zinc/72/53/62/401725362.db2.gz BDTPVCWMCAXMEM-KBXCAEBGSA-N 1 0 318.465 2.460 10 0 DEAERO C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329033151 299719018 /nfs/dbraw/zinc/71/90/18/299719018.db2.gz QJCBNYFQQAAWFF-RSUWNVLCSA-N 1 0 304.438 2.106 10 0 DEAERO CCc1nc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cs1 ZINC000074137303 401731028 /nfs/dbraw/zinc/73/10/28/401731028.db2.gz FNHHIHBYQFSDOI-OLZOCXBDSA-N 1 0 308.451 2.084 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000127430748 401734507 /nfs/dbraw/zinc/73/45/07/401734507.db2.gz WRVPNFWFVPWADN-HOCLYGCPSA-N 1 0 306.406 2.362 10 0 DEAERO O=C(c1ccccc1)N1CCC(C[NH2+]CC2=CCCOC2)CC1 ZINC000127453077 401736076 /nfs/dbraw/zinc/73/60/76/401736076.db2.gz LUOBJTXOFMUCNN-UHFFFAOYSA-N 1 0 314.429 2.475 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000074872237 401745321 /nfs/dbraw/zinc/74/53/21/401745321.db2.gz DWZZGCKBQTYURK-CABCVRRESA-N 1 0 307.442 2.006 10 0 DEAERO C[N@H+]1[C@@H]2CC[C@H]1CC(NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000000135921 401688411 /nfs/dbraw/zinc/68/84/11/401688411.db2.gz XHRMLNQFHNAKTQ-YHWZYXNKSA-N 1 0 314.838 2.244 10 0 DEAERO COc1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008037316 401747502 /nfs/dbraw/zinc/74/75/02/401747502.db2.gz GNIWEGBTVZDKPJ-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO COc1cccc([C@H](C[NH3+])S(=O)(=O)c2ccc(C)cc2)c1 ZINC000008037270 401747702 /nfs/dbraw/zinc/74/77/02/401747702.db2.gz OAIQQBTWAMSIRT-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO C[C@H](C[NH+](C)C)n1c2ccccc2nc1CCN1CCOCC1 ZINC000002016515 401711745 /nfs/dbraw/zinc/71/17/45/401711745.db2.gz OBDRWUGWIUTSIB-OAHLLOKOSA-N 1 0 316.449 2.034 10 0 DEAERO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000111451659 401716340 /nfs/dbraw/zinc/71/63/40/401716340.db2.gz QRXDGBIOTJZBQD-ZOBUZTSGSA-N 1 0 319.449 2.374 10 0 DEAERO O=c1[nH]c(CC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)nc2ccccc21 ZINC000114483706 401801651 /nfs/dbraw/zinc/80/16/51/401801651.db2.gz YKANYVQEIBHSBZ-INIZCTEOSA-N 1 0 323.400 2.416 10 0 DEAERO COc1ccc(NC(=O)[C@H](C)N2CCC([NH+](C)C)CC2)cc1 ZINC000127866381 401753150 /nfs/dbraw/zinc/75/31/50/401753150.db2.gz OPDBPWVVHXUBJX-ZDUSSCGKSA-N 1 0 305.422 2.048 10 0 DEAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)O1 ZINC000127912421 401755565 /nfs/dbraw/zinc/75/55/65/401755565.db2.gz PTFGBKQSRPMNKL-XOSAIJSUSA-N 1 0 302.418 2.333 10 0 DEAERO CC1(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)COC1 ZINC000112723148 401756490 /nfs/dbraw/zinc/75/64/90/401756490.db2.gz LSDOLSRFMRGBEH-MRXNPFEDSA-N 1 0 317.433 2.159 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2c(F)cccc2N2CCCC2)CCO1 ZINC000128049692 401760902 /nfs/dbraw/zinc/76/09/02/401760902.db2.gz SXNMZFXZLSRENQ-OAHLLOKOSA-N 1 0 321.440 2.188 10 0 DEAERO CCCn1c2ccccc2nc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000128059611 401761399 /nfs/dbraw/zinc/76/13/99/401761399.db2.gz UDBMQUYLECWFSO-HNNXBMFYSA-N 1 0 316.449 2.209 10 0 DEAERO CC(C)OC(=O)CC[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000075677610 401766423 /nfs/dbraw/zinc/76/64/23/401766423.db2.gz HAJUTTGMOITTHH-CQSZACIVSA-N 1 0 312.454 2.201 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000113222331 401770883 /nfs/dbraw/zinc/77/08/83/401770883.db2.gz CXGUBDROKMQQTE-SUMWQHHRSA-N 1 0 312.413 2.053 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCc1cccnc1 ZINC000113227041 401771315 /nfs/dbraw/zinc/77/13/15/401771315.db2.gz HJIZBYVEFKWPQJ-UKRRQHHQSA-N 1 0 305.447 2.010 10 0 DEAERO COc1ccc(CCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113230448 401771553 /nfs/dbraw/zinc/77/15/53/401771553.db2.gz ZSAODORFGPBCOK-GOEBONIOSA-N 1 0 302.418 2.323 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000113231485 401771764 /nfs/dbraw/zinc/77/17/64/401771764.db2.gz LPJZYNXSJOTLIY-MAUKXSAKSA-N 1 0 324.428 2.110 10 0 DEAERO Cc1ccc(C(C)(C)C[N@H+](C)C[C@@H](O)CN2CCCC2=O)cc1 ZINC000075861585 401771771 /nfs/dbraw/zinc/77/17/71/401771771.db2.gz YPYJVUQKCDPAOO-QGZVFWFLSA-N 1 0 318.461 2.188 10 0 DEAERO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000113233606 401772590 /nfs/dbraw/zinc/77/25/90/401772590.db2.gz WQZZDLXSTARDIC-GXTWGEPZSA-N 1 0 304.390 2.013 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000075961505 401775150 /nfs/dbraw/zinc/77/51/50/401775150.db2.gz OFNWHDCSSRNMRX-CQSZACIVSA-N 1 0 300.805 2.368 10 0 DEAERO Nc1nc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)nc2ccccc12 ZINC000128450748 401777126 /nfs/dbraw/zinc/77/71/26/401777126.db2.gz BRUBGYDOYFWOLW-FZKQIMNGSA-N 1 0 312.417 2.339 10 0 DEAERO C[N@@H+]1CCCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000113447132 401779201 /nfs/dbraw/zinc/77/92/01/401779201.db2.gz XVAWESBKGDHKOV-UHFFFAOYSA-N 1 0 317.364 2.187 10 0 DEAERO CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)[C@@H]1CCCO1 ZINC000128526005 401780738 /nfs/dbraw/zinc/78/07/38/401780738.db2.gz DOMCHAKTJSCPQI-PMPSAXMXSA-N 1 0 311.470 2.364 10 0 DEAERO CC(C)c1ccccc1OC[C@@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000113513798 401781500 /nfs/dbraw/zinc/78/15/00/401781500.db2.gz LAJPAXHLENBZJJ-SJORKVTESA-N 1 0 320.477 2.433 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000128698392 401788076 /nfs/dbraw/zinc/78/80/76/401788076.db2.gz YARRHZSCAZFPSK-CVEARBPZSA-N 1 0 311.470 2.319 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3ccccc3n2)[C@H](C)C1 ZINC000076481179 401796100 /nfs/dbraw/zinc/79/61/00/401796100.db2.gz JNDZVZGFKFASPM-DYVFJYSZSA-N 1 0 312.417 2.432 10 0 DEAERO C[C@@H](Oc1cccnc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130062539 401816980 /nfs/dbraw/zinc/81/69/80/401816980.db2.gz SODQRJMBXLKKIJ-WLYUNCDWSA-N 1 0 305.422 2.086 10 0 DEAERO CCOc1ncccc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130104601 401818299 /nfs/dbraw/zinc/81/82/99/401818299.db2.gz AIYNZXSZRVJAAK-UHFFFAOYSA-N 1 0 305.422 2.331 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)[C@H]2COc3ccccc32)CC1 ZINC000130240492 401823896 /nfs/dbraw/zinc/82/38/96/401823896.db2.gz DWJFCFVGYYCRBT-XUJLQICISA-N 1 0 302.418 2.399 10 0 DEAERO Cc1ccn2ncc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c2n1 ZINC000116130136 401843003 /nfs/dbraw/zinc/84/30/03/401843003.db2.gz OTFCDPHMMVQWBT-CQSZACIVSA-N 1 0 317.437 2.134 10 0 DEAERO CC[C@H]1CN(c2cc(C)nc(C3CC3)n2)CC[N@@H+]1CCOC ZINC000116261039 401847264 /nfs/dbraw/zinc/84/72/64/401847264.db2.gz PTQTUTSTDIHBFK-HNNXBMFYSA-N 1 0 304.438 2.209 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2ccco2)CC1 ZINC000116289002 401848448 /nfs/dbraw/zinc/84/84/48/401848448.db2.gz ZGESURPDEVMVRP-INIZCTEOSA-N 1 0 319.449 2.406 10 0 DEAERO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116321181 401850156 /nfs/dbraw/zinc/85/01/56/401850156.db2.gz VULNKBLITXPIFE-JSGCOSHPSA-N 1 0 324.388 2.416 10 0 DEAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000028878364 401853221 /nfs/dbraw/zinc/85/32/21/401853221.db2.gz ISTHJDCXWGCOAW-YUMQZZPRSA-N 1 0 318.204 2.488 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(-n2cccn2)c1 ZINC000116764621 401858251 /nfs/dbraw/zinc/85/82/51/401858251.db2.gz LGKHSZHTPZCINV-WMLDXEAASA-N 1 0 310.401 2.181 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)[C@@]2(C)CCCc3ccccc32)CCO1 ZINC000116791030 401859239 /nfs/dbraw/zinc/85/92/39/401859239.db2.gz OOHHVUSGVQLVSS-LPHOPBHVSA-N 1 0 316.445 2.070 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@]2(C)CCCc3ccccc32)CCO1 ZINC000116791027 401859455 /nfs/dbraw/zinc/85/94/55/401859455.db2.gz OOHHVUSGVQLVSS-APWZRJJASA-N 1 0 316.445 2.070 10 0 DEAERO Cc1cccc(CSCC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000116796652 401860041 /nfs/dbraw/zinc/86/00/41/401860041.db2.gz RGVWYABMLOIRKO-MRXNPFEDSA-N 1 0 322.474 2.017 10 0 DEAERO CSc1ccc(C)c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000116797673 401860069 /nfs/dbraw/zinc/86/00/69/401860069.db2.gz QZVGHNRYBZDKCO-ZDUSSCGKSA-N 1 0 308.447 2.120 10 0 DEAERO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000132333237 401865647 /nfs/dbraw/zinc/86/56/47/401865647.db2.gz GRDDFHJPDRDJBG-IUODEOHRSA-N 1 0 306.454 2.367 10 0 DEAERO C[C@@H](O)CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000078781869 401865971 /nfs/dbraw/zinc/86/59/71/401865971.db2.gz QXBUNCWHCZWGCR-SECBINFHSA-N 1 0 316.195 2.081 10 0 DEAERO O=C(C[C@@H]1C(=O)Nc2ccccc21)NCC[NH+]1CCCCCC1 ZINC000132550274 401869519 /nfs/dbraw/zinc/86/95/19/401869519.db2.gz CYYGAFKSEKJCIQ-HNNXBMFYSA-N 1 0 315.417 2.105 10 0 DEAERO C[C@@H](c1cn(-c2ccccc2)nn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000129977153 401813650 /nfs/dbraw/zinc/81/36/50/401813650.db2.gz PFABSWDINZPMTR-DOTOQJQBSA-N 1 0 311.433 2.498 10 0 DEAERO COC(=O)c1ccccc1N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000039952510 401924699 /nfs/dbraw/zinc/92/46/99/401924699.db2.gz XUNNCBOLCYRKRN-INIZCTEOSA-N 1 0 310.397 2.494 10 0 DEAERO CC1(C)CCC[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000086898314 401924826 /nfs/dbraw/zinc/92/48/26/401924826.db2.gz UWXPMGQKFURXPJ-ZDUSSCGKSA-N 1 0 302.484 2.359 10 0 DEAERO CCC[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)[NH+](C)C ZINC000119171204 401930682 /nfs/dbraw/zinc/93/06/82/401930682.db2.gz QXNJLLKCGOOPQN-YOEHRIQHSA-N 1 0 321.440 2.499 10 0 DEAERO COc1cc(C)c(C(=O)N2CCC([NH+](C)C)CC2)cc1OC ZINC000087332257 401931001 /nfs/dbraw/zinc/93/10/01/401931001.db2.gz CFDTYUQFOJOZON-UHFFFAOYSA-N 1 0 306.406 2.178 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000079540471 401875702 /nfs/dbraw/zinc/87/57/02/401875702.db2.gz QGDDSZJDJNMQAS-AWEZNQCLSA-N 1 0 303.406 2.179 10 0 DEAERO O=C(CC[N@H+]1CC=C(c2cccs2)CC1)N1CCOCC1 ZINC000117894845 401886842 /nfs/dbraw/zinc/88/68/42/401886842.db2.gz QQKLAQGTGDQTDZ-UHFFFAOYSA-N 1 0 306.431 2.086 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)NCCn1cc(C)cn1)CC(C)C ZINC000118057550 401889990 /nfs/dbraw/zinc/88/99/90/401889990.db2.gz LYGWRMNFXJUENL-INIZCTEOSA-N 1 0 323.485 2.247 10 0 DEAERO CCO[C@H](C)c1noc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)n1 ZINC000081097056 401893483 /nfs/dbraw/zinc/89/34/83/401893483.db2.gz HBTCZFACQDWLMQ-MCIONIFRSA-N 1 0 310.442 2.329 10 0 DEAERO C[C@@H](CNC(=O)[C@@H]1CCCc2n[nH]cc21)[NH+]1CCC(C)CC1 ZINC000133736088 401894171 /nfs/dbraw/zinc/89/41/71/401894171.db2.gz XMRZJSYSZMVKRB-UONOGXRCSA-N 1 0 304.438 2.066 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc(N)nc(Cl)c1 ZINC000083704134 401901194 /nfs/dbraw/zinc/90/11/94/401901194.db2.gz LDHWNCGPXUWOSH-CMPLNLGQSA-N 1 0 308.813 2.016 10 0 DEAERO CCCOc1cccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000118800537 401908505 /nfs/dbraw/zinc/90/85/05/401908505.db2.gz HMLJLZRAPNYCFI-MRXNPFEDSA-N 1 0 321.421 2.270 10 0 DEAERO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000037413420 401913573 /nfs/dbraw/zinc/91/35/73/401913573.db2.gz DKTOKVWOFZTCHM-RYUDHWBXSA-N 1 0 305.403 2.141 10 0 DEAERO CC1CC[NH+](CC(=O)NC[C@@H]2CCN(C)c3ccccc32)CC1 ZINC000134800469 401915052 /nfs/dbraw/zinc/91/50/52/401915052.db2.gz OOZMURXRDHRDOG-INIZCTEOSA-N 1 0 315.461 2.458 10 0 DEAERO C[N@H+](CC1(CO)COC1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000089124615 401936768 /nfs/dbraw/zinc/93/67/68/401936768.db2.gz NNNGGRGVJRMFAA-KRWDZBQOSA-N 1 0 316.376 2.251 10 0 DEAERO COc1cc(C[NH2+]CC[C@@H](C)O)cc(Br)c1O ZINC000085984244 401920032 /nfs/dbraw/zinc/92/00/32/401920032.db2.gz WALBMRWSNBNATK-MRVPVSSYSA-N 1 0 304.184 2.024 10 0 DEAERO C[C@H]([NH2+]CCCS(N)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000045067140 401953501 /nfs/dbraw/zinc/95/35/01/401953501.db2.gz ARPOUMSRBJMPJA-QMMMGPOBSA-N 1 0 311.234 2.323 10 0 DEAERO Cc1ccc([C@@H]2COCCN2C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)o1 ZINC000091768601 401997880 /nfs/dbraw/zinc/99/78/80/401997880.db2.gz ZGPSRZMMLDXRIU-KKUMJFAQSA-N 1 0 321.421 2.154 10 0 DEAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCc2ccccc2O)C1 ZINC000119760058 401965716 /nfs/dbraw/zinc/96/57/16/401965716.db2.gz VTENFLJIUFVWRK-OAHLLOKOSA-N 1 0 304.434 2.419 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCc2ccnn2C)C1 ZINC000119826089 401968352 /nfs/dbraw/zinc/96/83/52/401968352.db2.gz ATEKRFPQRKFNSF-HZPDHXFCSA-N 1 0 320.481 2.227 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(CN2CCCC2=O)cc1)[NH+](C)C ZINC000136477897 401968408 /nfs/dbraw/zinc/96/84/08/401968408.db2.gz XKDNJEIBCJMXPF-MRXNPFEDSA-N 1 0 317.433 2.478 10 0 DEAERO Cc1noc(CCCC(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000046745634 401972300 /nfs/dbraw/zinc/97/23/00/401972300.db2.gz AIUADCIFQJYDBI-OAHLLOKOSA-N 1 0 316.405 2.120 10 0 DEAERO CC(=O)N(C)C1CCN(Cc2csc(N(C)C3CC3)n2)CC1 ZINC000136713985 401972699 /nfs/dbraw/zinc/97/26/99/401972699.db2.gz SZUYYMVTXLWCRB-UHFFFAOYSA-N 1 0 322.478 2.184 10 0 DEAERO CCCn1nc(C)c(CN2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)c1C ZINC000120684930 401998486 /nfs/dbraw/zinc/99/84/86/401998486.db2.gz UHHJMFYPAGPBQK-RHSMWYFYSA-N 1 0 322.497 2.187 10 0 DEAERO CCc1nc(CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cs1 ZINC000120159316 401980582 /nfs/dbraw/zinc/98/05/82/401980582.db2.gz TZAWYGQAFANTHX-CYBMUJFWSA-N 1 0 324.494 2.483 10 0 DEAERO C[NH+](C)CCNC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000047653083 401986675 /nfs/dbraw/zinc/98/66/75/401986675.db2.gz JWMPAIRUALGPSQ-UHFFFAOYSA-N 1 0 302.418 2.206 10 0 DEAERO CC(C)OCCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000047682452 401987975 /nfs/dbraw/zinc/98/79/75/401987975.db2.gz VGERSASYEDULAJ-INIZCTEOSA-N 1 0 307.438 2.404 10 0 DEAERO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000047971118 401991382 /nfs/dbraw/zinc/99/13/82/401991382.db2.gz KJZHYKQUAWHUQR-IAGOWNOFSA-N 1 0 321.509 2.299 10 0 DEAERO CC[C@H](CSC)[N@H+](C)CC(=O)NCc1ccc(OC)cc1 ZINC000091097242 401992947 /nfs/dbraw/zinc/99/29/47/401992947.db2.gz KMCNWKASIXQWSA-CQSZACIVSA-N 1 0 310.463 2.385 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](O)c1cccc(F)c1 ZINC000089341070 401942863 /nfs/dbraw/zinc/94/28/63/401942863.db2.gz NCFYBCHTJJMLEZ-SJORKVTESA-N 1 0 322.424 2.486 10 0 DEAERO C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)[NH+]1CCCCCC1 ZINC000119369731 401945395 /nfs/dbraw/zinc/94/53/95/401945395.db2.gz PFILYJSXXMILDY-LBPRGKRZSA-N 1 0 316.409 2.013 10 0 DEAERO C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000119401091 401947605 /nfs/dbraw/zinc/94/76/05/401947605.db2.gz AQOXDLBIFUSFRN-KGLIPLIRSA-N 1 0 322.449 2.039 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC1(O)CCCCCC1 ZINC000135636166 401948941 /nfs/dbraw/zinc/94/89/41/401948941.db2.gz KRNZYLYZOYXSGY-QGZVFWFLSA-N 1 0 318.461 2.361 10 0 DEAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000121103864 402015256 /nfs/dbraw/zinc/01/52/56/402015256.db2.gz XJGWTROBYBEBBG-KGLIPLIRSA-N 1 0 315.421 2.079 10 0 DEAERO CC[N@H+](CCc1nccs1)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000093764471 402020432 /nfs/dbraw/zinc/02/04/32/402020432.db2.gz JXAQILYIBTXNDO-UHFFFAOYSA-N 1 0 306.435 2.238 10 0 DEAERO CCc1nccn1[C@@H]1CCCN(C(=O)NCC[NH+](CC)CC)C1 ZINC000151850036 402061142 /nfs/dbraw/zinc/06/11/42/402061142.db2.gz YTGGGKBJCFMPBW-OAHLLOKOSA-N 1 0 321.469 2.134 10 0 DEAERO CCOc1nc2ccccc2nc1N(C)C[C@H]1CCC[NH2+]C1 ZINC000095069675 402024356 /nfs/dbraw/zinc/02/43/56/402024356.db2.gz FVHREMXPPIOEKZ-ZDUSSCGKSA-N 1 0 300.406 2.464 10 0 DEAERO CC(C)[NH2+][C@H](CCO)C1CN(C(=O)OCc2ccccc2)C1 ZINC000095088358 402025061 /nfs/dbraw/zinc/02/50/61/402025061.db2.gz WEFFGOGUQSTZQU-MRXNPFEDSA-N 1 0 306.406 2.004 10 0 DEAERO C[C@@H](N[C@H](C)c1cn(-c2ccccc2)nn1)C(=O)NC(C)(C)C ZINC000151254293 402025636 /nfs/dbraw/zinc/02/56/36/402025636.db2.gz OYODYTUOSVGUSD-CHWSQXEVSA-N 1 0 315.421 2.221 10 0 DEAERO O=C(CC[N@H+]1CC=C(c2ccccc2)CC1)N1CCOCC1 ZINC000051292973 402033217 /nfs/dbraw/zinc/03/32/17/402033217.db2.gz SGIMUYHBSIIAIE-UHFFFAOYSA-N 1 0 300.402 2.025 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC000151407846 402034522 /nfs/dbraw/zinc/03/45/22/402034522.db2.gz FNJAWZGVDVPHAX-RDJZCZTQSA-N 1 0 323.481 2.461 10 0 DEAERO COc1cccc(C[C@H]([NH2+]C[C@@]2(CCO)CCOC2)C2CC2)c1 ZINC000121557433 402044152 /nfs/dbraw/zinc/04/41/52/402044152.db2.gz RNXRKPAQOXEXCX-RBUKOAKNSA-N 1 0 319.445 2.395 10 0 DEAERO CCc1nccn1[C@H]1CCCN(C(=O)NCC[NH+](CC)CC)C1 ZINC000151850106 402061066 /nfs/dbraw/zinc/06/10/66/402061066.db2.gz YTGGGKBJCFMPBW-HNNXBMFYSA-N 1 0 321.469 2.134 10 0 DEAERO CCn1cc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cn1 ZINC000092754654 402008082 /nfs/dbraw/zinc/00/80/82/402008082.db2.gz GAPSRRYEFHWLPY-CQSZACIVSA-N 1 0 306.454 2.276 10 0 DEAERO CCN(CC[NH+]1CCCCCC1)C(=O)c1cccnc1NC ZINC000055134153 402076674 /nfs/dbraw/zinc/07/66/74/402076674.db2.gz FONIDRXDGWWBOY-UHFFFAOYSA-N 1 0 304.438 2.461 10 0 DEAERO Cc1cc(C)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[nH]1 ZINC000122512412 402082041 /nfs/dbraw/zinc/08/20/41/402082041.db2.gz YQWSUUFGEJUVJV-HZPDHXFCSA-N 1 0 319.449 2.129 10 0 DEAERO CCO[C@H](CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000122537288 402083354 /nfs/dbraw/zinc/08/33/54/402083354.db2.gz SUIHAAXMADUOAK-ARFHVFGLSA-N 1 0 313.486 2.466 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc2c1OCCO2 ZINC000056721420 402090363 /nfs/dbraw/zinc/09/03/63/402090363.db2.gz WJNZJOKXNQKXFZ-LBPRGKRZSA-N 1 0 307.394 2.310 10 0 DEAERO CN(CCc1ccc(F)cc1)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000152337359 402090552 /nfs/dbraw/zinc/09/05/52/402090552.db2.gz QVQRNAIOHBXZRL-UHFFFAOYSA-N 1 0 312.388 2.323 10 0 DEAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000152349215 402091114 /nfs/dbraw/zinc/09/11/14/402091114.db2.gz MIEKPHONBUSLFO-DOTOQJQBSA-N 1 0 304.434 2.453 10 0 DEAERO CCC(CC)C[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000122718548 402091239 /nfs/dbraw/zinc/09/12/39/402091239.db2.gz FEAFYLFQWKKIJZ-GOSISDBHSA-N 1 0 320.477 2.480 10 0 DEAERO C[C@H]1CCC[N@@H+](C2(CN)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000058041198 402098328 /nfs/dbraw/zinc/09/83/28/402098328.db2.gz YITNHCNWLXISIW-AWEZNQCLSA-N 1 0 311.470 2.447 10 0 DEAERO COCCc1cc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)n(C)n1 ZINC000122927035 402101711 /nfs/dbraw/zinc/10/17/11/402101711.db2.gz VVEIYMWLSQXVNX-INIZCTEOSA-N 1 0 322.453 2.058 10 0 DEAERO CC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000123317992 402121674 /nfs/dbraw/zinc/12/16/74/402121674.db2.gz JBSDJQUIWASWGR-GDBMZVCRSA-N 1 0 320.433 2.219 10 0 DEAERO CC(C)CCC[C@@H](C)NC(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000061041361 402106870 /nfs/dbraw/zinc/10/68/70/402106870.db2.gz BVJGMJWPBPZMOC-MRXNPFEDSA-N 1 0 309.498 2.488 10 0 DEAERO c1ccc(Cc2noc(CN3CCC[N@@H+](C4CC4)CC3)n2)cc1 ZINC000061040933 402107008 /nfs/dbraw/zinc/10/70/08/402107008.db2.gz IDWDWHQODRPJJJ-UHFFFAOYSA-N 1 0 312.417 2.331 10 0 DEAERO Cc1cc(F)cc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000152766122 402107637 /nfs/dbraw/zinc/10/76/37/402107637.db2.gz YOMROGRVUWCWFQ-HNNXBMFYSA-N 1 0 309.385 2.102 10 0 DEAERO O=C(CSCc1ccccn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604186 402108017 /nfs/dbraw/zinc/10/80/17/402108017.db2.gz WDUPDLNPGNIWRF-UHFFFAOYSA-N 1 0 305.447 2.012 10 0 DEAERO Cc1ccc(OCC(=O)N2CCC[N@@H+](C3CC3)CC2)c(C)c1 ZINC000061605508 402108262 /nfs/dbraw/zinc/10/82/62/402108262.db2.gz NKLSWANANLATAQ-UHFFFAOYSA-N 1 0 302.418 2.379 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)NCCC2CCCCC2)CC[N@@H+]1C ZINC000123114277 402111387 /nfs/dbraw/zinc/11/13/87/402111387.db2.gz YEPYTIQMUNNQKD-WBVHZDCISA-N 1 0 309.498 2.488 10 0 DEAERO C[C@@H]1C[C@H](N(C)Cc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1C ZINC000123116376 402111604 /nfs/dbraw/zinc/11/16/04/402111604.db2.gz XEOXULBCLNANRT-RHSMWYFYSA-N 1 0 303.450 2.303 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000152878176 402114403 /nfs/dbraw/zinc/11/44/03/402114403.db2.gz IUQFFBPAIKRDIY-WCEBEWAISA-N 1 0 320.458 2.403 10 0 DEAERO CC[C@@H]1CN(C(=O)CCCCSC)CC[N@@H+]1CCOC ZINC000123195832 402115393 /nfs/dbraw/zinc/11/53/93/402115393.db2.gz YFTOUWSZCSHYOX-CQSZACIVSA-N 1 0 302.484 2.089 10 0 DEAERO COc1ccc(OC)c(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000097359392 402122340 /nfs/dbraw/zinc/12/23/40/402122340.db2.gz VAVAIRDBQYYUMR-OAHLLOKOSA-N 1 0 322.449 2.339 10 0 DEAERO Cc1nn(C)c2ncc(CN(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc12 ZINC000123255443 402118348 /nfs/dbraw/zinc/11/83/48/402118348.db2.gz OWVMBOCFKDALQH-DOMZBBRYSA-N 1 0 301.438 2.191 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc2ccccc21 ZINC000122159889 402064010 /nfs/dbraw/zinc/06/40/10/402064010.db2.gz VGXMEACXXTXZIA-WFASDCNBSA-N 1 0 304.415 2.116 10 0 DEAERO CNC(=O)c1cc(NC(=O)C[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000054307612 402065874 /nfs/dbraw/zinc/06/58/74/402065874.db2.gz MZXJZMBYWBMJOZ-SNVBAGLBSA-N 1 0 309.797 2.028 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCc2ccc(OC)cc2C1 ZINC000066333890 402131326 /nfs/dbraw/zinc/13/13/26/402131326.db2.gz NLKSWRXUYHPNCC-AWEZNQCLSA-N 1 0 319.449 2.493 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000123517855 402131863 /nfs/dbraw/zinc/13/18/63/402131863.db2.gz XXZORDJFDLRBQF-KRWDZBQOSA-N 1 0 306.450 2.201 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000123524677 402132678 /nfs/dbraw/zinc/13/26/78/402132678.db2.gz MSIMMJBESJRAIN-QGZVFWFLSA-N 1 0 318.461 2.289 10 0 DEAERO CC[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1c(C)noc1C ZINC000123369889 402124091 /nfs/dbraw/zinc/12/40/91/402124091.db2.gz LXFQHULINMYVCL-GJZGRUSLSA-N 1 0 318.421 2.398 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000066835639 402143736 /nfs/dbraw/zinc/14/37/36/402143736.db2.gz BBSOBCLTNTWSKL-SOUVJXGZSA-N 1 0 310.438 2.051 10 0 DEAERO CC[N@H+](CCNC(=O)Cc1c(Cl)cccc1OC)C1CC1 ZINC000153482802 402148264 /nfs/dbraw/zinc/14/82/64/402148264.db2.gz WNYNODXFDYQGEH-UHFFFAOYSA-N 1 0 310.825 2.492 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccn(-c3ccccc3)n2)CC[N@@H+]1C ZINC000123823611 402148414 /nfs/dbraw/zinc/14/84/14/402148414.db2.gz MHXYBPNWQSMXGX-HOCLYGCPSA-N 1 0 312.417 2.427 10 0 DEAERO Cc1ccccc1CCNC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123975410 402157691 /nfs/dbraw/zinc/15/76/91/402157691.db2.gz NTUCZGYIUSVMCH-SJLPKXTDSA-N 1 0 317.477 2.068 10 0 DEAERO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)Nc1nc2c(s1)CCC2 ZINC000123928805 402154415 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COc1cc2[nH]c(=O)c(C[NH+]3CCCC3)cc2c(OC)c1OC ZINC000067446554 402160066 /nfs/dbraw/zinc/16/00/66/402160066.db2.gz QIOLQOVKMOYAOW-UHFFFAOYSA-N 1 0 318.373 2.150 10 0 DEAERO CN(CCc1nccs1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000124230407 402170276 /nfs/dbraw/zinc/17/02/76/402170276.db2.gz JIDNLFMSKBFSRG-UHFFFAOYSA-N 1 0 324.494 2.447 10 0 DEAERO COC(=O)CCNC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000102686892 402170407 /nfs/dbraw/zinc/17/04/07/402170407.db2.gz KQIQPMNQDRNLGA-ZDUSSCGKSA-N 1 0 314.385 2.170 10 0 DEAERO CC(C)(C)c1ncc2c(n1)CN(C(=O)C[NH+]1CCCCCC1)C2 ZINC000067774288 402172309 /nfs/dbraw/zinc/17/23/09/402172309.db2.gz KJMHMUICWXRKBD-UHFFFAOYSA-N 1 0 316.449 2.492 10 0 DEAERO COc1ccccc1C[C@H](C)CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000107349451 402230654 /nfs/dbraw/zinc/23/06/54/402230654.db2.gz SJSGTSYGHBGUOC-HOCLYGCPSA-N 1 0 304.434 2.474 10 0 DEAERO Cc1ccc(OCC[N@@H+](C)C[C@@H](O)COCc2ccco2)cc1 ZINC000070869971 402265752 /nfs/dbraw/zinc/26/57/52/402265752.db2.gz FUPVCVYWWKGTED-MRXNPFEDSA-N 1 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/nfs/dbraw/zinc/25/81/70/402258170.db2.gz GDBVHCIXFFRFRN-HNNXBMFYSA-N 1 0 307.413 2.351 10 0 DEAERO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000070189592 402258511 /nfs/dbraw/zinc/25/85/11/402258511.db2.gz SJJAMBWGIPKOPD-UHFFFAOYSA-N 1 0 316.492 2.375 10 0 DEAERO c1cncc(-c2nc(-c3ccncc3)cc(N3CC[NH2+]CC3)n2)c1 ZINC000070451643 402260323 /nfs/dbraw/zinc/26/03/23/402260323.db2.gz DJMLHDLFKJBOTD-UHFFFAOYSA-N 1 0 318.384 2.010 10 0 DEAERO C[C@H](NC(=O)CN1CCN(C2CC2)CC1)c1ccccc1Cl ZINC000126020132 402260366 /nfs/dbraw/zinc/26/03/66/402260366.db2.gz UAUVJQIIHXMLMN-ZDUSSCGKSA-N 1 0 321.852 2.297 10 0 DEAERO [NH3+][C@@H]1CCN(c2cc(-c3cccnc3)nc(-c3cccnc3)n2)C1 ZINC000070455886 402260454 /nfs/dbraw/zinc/26/04/54/402260454.db2.gz IVHBPJQMQDMMGA-OAHLLOKOSA-N 1 0 318.384 2.138 10 0 DEAERO [NH3+][C@H]1CCN(c2cc(-c3nc(-c4ccccc4)no3)ccn2)C1 ZINC000070458200 402261135 /nfs/dbraw/zinc/26/11/35/402261135.db2.gz CSDWKHRNKIAFNX-AWEZNQCLSA-N 1 0 307.357 2.336 10 0 DEAERO COc1cccc(-c2cc3c(N4CCC([NH3+])CC4)nccn3n2)c1 ZINC000070459245 402261540 /nfs/dbraw/zinc/26/15/40/402261540.db2.gz VFXATLGHILDUQT-UHFFFAOYSA-N 1 0 323.400 2.332 10 0 DEAERO CC(C)NC(=O)CCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000104825684 402205523 /nfs/dbraw/zinc/20/55/23/402205523.db2.gz FAVNYSWKCROMNY-INIZCTEOSA-N 1 0 319.449 2.100 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000154358693 402208022 /nfs/dbraw/zinc/20/80/22/402208022.db2.gz UYOMGGKRSOANIX-GXTWGEPZSA-N 1 0 321.469 2.401 10 0 DEAERO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N3CCC(C)CC3)C2)c1 ZINC000105900176 402210775 /nfs/dbraw/zinc/21/07/75/402210775.db2.gz DGAZEOFYUINMAX-INIZCTEOSA-N 1 0 304.438 2.087 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ncccc1OC(C)C ZINC000176075447 402276233 /nfs/dbraw/zinc/27/62/33/402276233.db2.gz LODHZUWBOTVPGU-AWEZNQCLSA-N 1 0 305.422 2.425 10 0 DEAERO CCc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000110086505 402281419 /nfs/dbraw/zinc/28/14/19/402281419.db2.gz OMOZFDOHEOTBFI-HNNXBMFYSA-N 1 0 305.422 2.481 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C(C)=O)cc1 ZINC000110083090 402281465 /nfs/dbraw/zinc/28/14/65/402281465.db2.gz IPCQBPGWIUFLIE-MRXNPFEDSA-N 1 0 319.405 2.122 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000156480189 402283052 /nfs/dbraw/zinc/28/30/52/402283052.db2.gz FMQPMKLTECDVNC-QWHCGFSZSA-N 1 0 300.443 2.383 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCOCc1ccccc1 ZINC000176226906 402292728 /nfs/dbraw/zinc/29/27/28/402292728.db2.gz QIYIFOOTNOBBEV-QGZVFWFLSA-N 1 0 321.465 2.479 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000176243754 402293897 /nfs/dbraw/zinc/29/38/97/402293897.db2.gz PAPNZBCUBUQTIH-ZDUSSCGKSA-N 1 0 305.378 2.363 10 0 DEAERO CCOc1ncccc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176301213 402298158 /nfs/dbraw/zinc/29/81/58/402298158.db2.gz CABUXWXEUCJDHX-CYBMUJFWSA-N 1 0 306.410 2.428 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2cc(F)ccc2F)C1 ZINC000176344143 402301737 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Cc1[nH]nc(C(C)C)c1C(=O)NC[C@H](c1ccco1)N(C)C ZINC000158924051 402314455 /nfs/dbraw/zinc/31/44/55/402314455.db2.gz WHYOPYPHDZXOBA-GFCCVEGCSA-N 1 0 304.394 2.467 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185017261 402317529 /nfs/dbraw/zinc/31/75/29/402317529.db2.gz KMLNINQODOQVBH-CQSZACIVSA-N 1 0 317.437 2.239 10 0 DEAERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ncncc1Cl ZINC000176551097 402319040 /nfs/dbraw/zinc/31/90/40/402319040.db2.gz ZTYYCLGWUXUVBU-IJLUTSLNSA-N 1 0 310.829 2.226 10 0 DEAERO CNC(=O)[C@H]([NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1)C(C)C ZINC000185307576 402342309 /nfs/dbraw/zinc/34/23/09/402342309.db2.gz CFDAWZICHQVYII-BLLLJJGKSA-N 1 0 310.413 2.373 10 0 DEAERO CC(=O)NC[C@@H]1CN(c2c(C)c[nH+]c3c(C)cccc32)CCO1 ZINC000185310527 402342658 /nfs/dbraw/zinc/34/26/58/402342658.db2.gz BPTCMSGEPAETBW-OAHLLOKOSA-N 1 0 313.401 2.193 10 0 DEAERO Cc1ccc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000176858990 402343776 /nfs/dbraw/zinc/34/37/76/402343776.db2.gz LTZWICXKQHPPIQ-CQSZACIVSA-N 1 0 322.424 2.299 10 0 DEAERO Cc1ccc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000176865080 402344278 /nfs/dbraw/zinc/34/42/78/402344278.db2.gz UJHUBBZITIKUFI-MRXNPFEDSA-N 1 0 318.461 2.468 10 0 DEAERO O=C(c1ncncc1Cl)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000176885841 402346444 /nfs/dbraw/zinc/34/64/44/402346444.db2.gz RWNCFOOJFAXSRW-LBPRGKRZSA-N 1 0 308.813 2.221 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)C[C@H](O)COCc1ccccc1F ZINC000185359587 402347245 /nfs/dbraw/zinc/34/72/45/402347245.db2.gz YRGDEQAVHZGLOJ-CVEARBPZSA-N 1 0 313.413 2.042 10 0 DEAERO Cc1cc(NC(=O)C[N@@H+](C)[C@H](CO)CC(C)C)n(C(C)(C)C)n1 ZINC000185369615 402347428 /nfs/dbraw/zinc/34/74/28/402347428.db2.gz PESKERRNTCVCDJ-AWEZNQCLSA-N 1 0 324.469 2.224 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(F)ccc1C ZINC000176900752 402347990 /nfs/dbraw/zinc/34/79/90/402347990.db2.gz KXLKWFKQWMTPER-CQSZACIVSA-N 1 0 321.396 2.015 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000185375726 402348190 /nfs/dbraw/zinc/34/81/90/402348190.db2.gz BSKLUPXEYNRZHP-HZPDHXFCSA-N 1 0 313.486 2.155 10 0 DEAERO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000185495650 402357066 /nfs/dbraw/zinc/35/70/66/402357066.db2.gz JTVBVRPNBWHAGG-HOTGVXAUSA-N 1 0 319.453 2.102 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(OC)cc(OC)c1 ZINC000176995950 402357575 /nfs/dbraw/zinc/35/75/75/402357575.db2.gz APZPQKQMFHMIEJ-CQSZACIVSA-N 1 0 306.406 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000177032691 402361825 /nfs/dbraw/zinc/36/18/25/402361825.db2.gz WLBBQHRYNLTGJY-GDBMZVCRSA-N 1 0 323.481 2.014 10 0 DEAERO C[C@H]1C[C@H](NS(=O)(=O)c2cccc3ccccc32)CC[NH2+]1 ZINC000235719886 402364004 /nfs/dbraw/zinc/36/40/04/402364004.db2.gz BILJCFFKDAHBHH-GXTWGEPZSA-N 1 0 304.415 2.259 10 0 DEAERO COc1ccc(F)cc1CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000185603312 402364591 /nfs/dbraw/zinc/36/45/91/402364591.db2.gz CZSWXRFPPSPMFF-OAHLLOKOSA-N 1 0 310.413 2.469 10 0 DEAERO COCC1=CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000185714108 402370875 /nfs/dbraw/zinc/37/08/75/402370875.db2.gz CEHQPHQDLUPRJU-MRXNPFEDSA-N 1 0 309.454 2.095 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000236656388 402371407 /nfs/dbraw/zinc/37/14/07/402371407.db2.gz WSGAWXALNYPXDG-UHFFFAOYSA-N 1 0 318.465 2.240 10 0 DEAERO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cncn2)C1(C)C ZINC000185198614 402333390 /nfs/dbraw/zinc/33/33/90/402333390.db2.gz CKMWMUDBVBYYHM-CABCVRRESA-N 1 0 315.421 2.344 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(Cl)nc1 ZINC000177378389 402395860 /nfs/dbraw/zinc/39/58/60/402395860.db2.gz YHIGDBPNFMKSRN-CYBMUJFWSA-N 1 0 310.829 2.361 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(COC)c1 ZINC000177396677 402397818 /nfs/dbraw/zinc/39/78/18/402397818.db2.gz LBGGSJXFBSJIHV-QGZVFWFLSA-N 1 0 319.449 2.459 10 0 DEAERO C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000237272768 402401750 /nfs/dbraw/zinc/40/17/50/402401750.db2.gz DFBGVUAKCNKTGX-OAHLLOKOSA-N 1 0 318.808 2.350 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000237442644 402408333 /nfs/dbraw/zinc/40/83/33/402408333.db2.gz KOBDATYIJKJCHW-AAEUAGOBSA-N 1 0 316.380 2.415 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(NC(=O)C2CC2)nc1)[NH+](C)C ZINC000162071988 402408563 /nfs/dbraw/zinc/40/85/63/402408563.db2.gz FNRPARHZIHFERG-ZDUSSCGKSA-N 1 0 304.394 2.099 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C12CCOCC2 ZINC000186200635 402409764 /nfs/dbraw/zinc/40/97/64/402409764.db2.gz CHVDTEJKKDQJRJ-SJORKVTESA-N 1 0 319.401 2.479 10 0 DEAERO C[C@H](c1cn(-c2ccccc2)nn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000177515958 402411790 /nfs/dbraw/zinc/41/17/90/402411790.db2.gz BRSVLGSTKQMFIO-OAHLLOKOSA-N 1 0 311.433 2.498 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C12CCOCC2 ZINC000186271112 402416795 /nfs/dbraw/zinc/41/67/95/402416795.db2.gz RLBWPRKMADAWOD-IRXDYDNUSA-N 1 0 323.408 2.382 10 0 DEAERO CCOc1ncccc1C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186279775 402417125 /nfs/dbraw/zinc/41/71/25/402417125.db2.gz IRBZCDYXNRIXCW-AWEZNQCLSA-N 1 0 305.422 2.475 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(Cl)ccc1Cl ZINC000237714061 402418934 /nfs/dbraw/zinc/41/89/34/402418934.db2.gz FHZAJKYFXXBRJV-JVHMLUBASA-N 1 0 300.189 2.401 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccc(Cl)nc1 ZINC000177669101 402424907 /nfs/dbraw/zinc/42/49/07/402424907.db2.gz YQVLWEMKMFENIN-CYBMUJFWSA-N 1 0 324.856 2.451 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000237898194 402425477 /nfs/dbraw/zinc/42/54/77/402425477.db2.gz HGGYYNOLNVSOHI-HRCADAONSA-N 1 0 301.434 2.147 10 0 DEAERO Cc1cc(C)cc(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177772111 402434563 /nfs/dbraw/zinc/43/45/63/402434563.db2.gz AHQNLIDJYSOJLX-QGZVFWFLSA-N 1 0 301.434 2.412 10 0 DEAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000245201750 402452014 /nfs/dbraw/zinc/45/20/14/402452014.db2.gz ULPHNPVWFYBREA-HZPDHXFCSA-N 1 0 308.397 2.240 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000177944015 402445985 /nfs/dbraw/zinc/44/59/85/402445985.db2.gz KGRVNEDAJVIWBY-WMZOPIPTSA-N 1 0 308.466 2.260 10 0 DEAERO NC(=O)N1CCC([NH2+][C@H]2CCOc3c(Cl)cccc32)CC1 ZINC000177948871 402446961 /nfs/dbraw/zinc/44/69/61/402446961.db2.gz FALPZDJVCLNGPY-ZDUSSCGKSA-N 1 0 309.797 2.296 10 0 DEAERO CCC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[NH+](C)C ZINC000161534890 402391205 /nfs/dbraw/zinc/39/12/05/402391205.db2.gz BTVMRCFKRZZOKF-GXTWGEPZSA-N 1 0 306.406 2.365 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000237038286 402392213 /nfs/dbraw/zinc/39/22/13/402392213.db2.gz QGXPNIVDNAOFEJ-USXIJHARSA-N 1 0 303.450 2.487 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)COc1c(C)nn(C)c1C ZINC000237047970 402392883 /nfs/dbraw/zinc/39/28/83/402392883.db2.gz NDGCQQWIKWNBQL-UHFFFAOYSA-N 1 0 316.405 2.164 10 0 DEAERO CCOC(=O)[C@H]1CCCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000161617093 402393672 /nfs/dbraw/zinc/39/36/72/402393672.db2.gz LWOMZEOKRVABOC-MRXNPFEDSA-N 1 0 308.397 2.285 10 0 DEAERO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[N@@H+](C2CC2)CC1 ZINC000246107066 402510548 /nfs/dbraw/zinc/51/05/48/402510548.db2.gz DGELBGVHSYFXOK-CVYDXHPNSA-N 1 0 321.509 2.486 10 0 DEAERO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)NCc1cccnc1 ZINC000246108872 402510759 /nfs/dbraw/zinc/51/07/59/402510759.db2.gz JLLRZGNKLUQSBM-CABCVRRESA-N 1 0 305.447 2.058 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000178021861 402453118 /nfs/dbraw/zinc/45/31/18/402453118.db2.gz IKGWRVWFYUWXJW-KRWDZBQOSA-N 1 0 317.433 2.182 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2nc(COC)cs2)C1 ZINC000178043882 402455134 /nfs/dbraw/zinc/45/51/34/402455134.db2.gz ZKVTVTJCSDVDQU-NSHDSACASA-N 1 0 312.439 2.095 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cncn1)CC2 ZINC000178050860 402455624 /nfs/dbraw/zinc/45/56/24/402455624.db2.gz BZCJEOUTKXYXET-KRWDZBQOSA-N 1 0 321.384 2.448 10 0 DEAERO CC1(C)C[C@H]([NH2+]Cc2cccnc2-n2cncn2)C(C)(C)O1 ZINC000178056564 402456202 /nfs/dbraw/zinc/45/62/02/402456202.db2.gz AVFAWFVFZMCGTB-ZDUSSCGKSA-N 1 0 301.394 2.098 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(OC)c2)[C@@H](C)C1 ZINC000245412681 402457715 /nfs/dbraw/zinc/45/77/15/402457715.db2.gz AVDKHRUMLQZBEC-WMLDXEAASA-N 1 0 319.449 2.296 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCc2ccncc2C)CC1 ZINC000186709910 402458199 /nfs/dbraw/zinc/45/81/99/402458199.db2.gz XZKWEGVEWTZINY-UHFFFAOYSA-N 1 0 304.438 2.311 10 0 DEAERO C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2CCCCC2(C)C)CC1 ZINC000164266469 402460891 /nfs/dbraw/zinc/46/08/91/402460891.db2.gz SJKZTWSZRUDMSV-OAHLLOKOSA-N 1 0 311.470 2.053 10 0 DEAERO CC(C)Nc1ncccc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245452591 402461658 /nfs/dbraw/zinc/46/16/58/402461658.db2.gz DRVYPGHAUHAIGG-KGLIPLIRSA-N 1 0 302.422 2.211 10 0 DEAERO C[C@@H](CCOc1ccccc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245458078 402462519 /nfs/dbraw/zinc/46/25/19/402462519.db2.gz USMARJMDVIBHDT-HOTGVXAUSA-N 1 0 302.418 2.398 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186802448 402464611 /nfs/dbraw/zinc/46/46/11/402464611.db2.gz FQSCDJKDMKASSO-SUMWQHHRSA-N 1 0 320.481 2.203 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CC(=O)N1C[C@H](C)C[C@H](C)C1)CC2 ZINC000245494254 402465266 /nfs/dbraw/zinc/46/52/66/402465266.db2.gz NCJJRCAJDUNLSB-XDNAFOTISA-N 1 0 321.509 2.438 10 0 DEAERO COC[C@@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000245495138 402465878 /nfs/dbraw/zinc/46/58/78/402465878.db2.gz OVXWXSFGITUTOY-WZYMTQMTSA-N 1 0 309.454 2.070 10 0 DEAERO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)C[C@@H]1CCCO1 ZINC000170687748 402514537 /nfs/dbraw/zinc/51/45/37/402514537.db2.gz NXAUQZUIVAVQJD-OCCSQVGLSA-N 1 0 308.447 2.132 10 0 DEAERO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000245515308 402467358 /nfs/dbraw/zinc/46/73/58/402467358.db2.gz PYRZHEOCQNGUND-ZBFHGGJFSA-N 1 0 310.463 2.194 10 0 DEAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC(=O)c3ccc(F)cc3)[C@H]2C1 ZINC000245518610 402468073 /nfs/dbraw/zinc/46/80/73/402468073.db2.gz HVCZAIHKOVUWKS-CJNGLKHVSA-N 1 0 318.392 2.341 10 0 DEAERO Cc1noc(C)c1[C@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245528090 402468814 /nfs/dbraw/zinc/46/88/14/402468814.db2.gz FWDFCTQFPAUOAN-DOMZBBRYSA-N 1 0 305.422 2.482 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C12CCC2 ZINC000246144604 402512546 /nfs/dbraw/zinc/51/25/46/402512546.db2.gz JUFIQBXXQDGZGO-HRCADAONSA-N 1 0 321.465 2.214 10 0 DEAERO COCCOc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000245555044 402470978 /nfs/dbraw/zinc/47/09/78/402470978.db2.gz HWTPRQBZICLHJC-KRWDZBQOSA-N 1 0 304.434 2.382 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CCNC(=O)C(C)C)cc1NC(C)=O ZINC000178225493 402473488 /nfs/dbraw/zinc/47/34/88/402473488.db2.gz ZEPFKMRGISTLPO-GFCCVEGCSA-N 1 0 321.421 2.076 10 0 DEAERO CC[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC)[C@H]1CCCO1 ZINC000245678539 402478429 /nfs/dbraw/zinc/47/84/29/402478429.db2.gz RCYBUQXJRAHDOJ-FXUDXRNXSA-N 1 0 309.454 2.212 10 0 DEAERO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@H]4CCN(C)C4=O)C3)nc2c1 ZINC000245704974 402481848 /nfs/dbraw/zinc/48/18/48/402481848.db2.gz OAJFMFSOOJBLQG-BBRMVZONSA-N 1 0 312.417 2.281 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2cnc(C(C)(C)C)s2)C[C@@H]1C ZINC000245717079 402482185 /nfs/dbraw/zinc/48/21/85/402482185.db2.gz HCQIVKLWNFVZIZ-STQMWFEESA-N 1 0 311.495 2.328 10 0 DEAERO COc1ccccc1/C=C/CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245726426 402483372 /nfs/dbraw/zinc/48/33/72/402483372.db2.gz IWKYTLZZFQYVAE-OHOWAWRESA-N 1 0 304.434 2.095 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245736616 402484256 /nfs/dbraw/zinc/48/42/56/402484256.db2.gz BJTDSTRBCOBGOC-QKPAOTATSA-N 1 0 321.465 2.070 10 0 DEAERO CCOc1cccc(CN2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)c1 ZINC000245769515 402487205 /nfs/dbraw/zinc/48/72/05/402487205.db2.gz RLVYEZJSSVELLJ-DOTOQJQBSA-N 1 0 306.450 2.362 10 0 DEAERO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@](C)(O)C(C)C)C2)n1 ZINC000187207191 402488320 /nfs/dbraw/zinc/48/83/20/402488320.db2.gz GKXRQOZJVIDCGT-QAPCUYQASA-N 1 0 319.449 2.448 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)oc1C ZINC000245850994 402491435 /nfs/dbraw/zinc/49/14/35/402491435.db2.gz GJEXGOOFYCHSHW-KGLIPLIRSA-N 1 0 312.435 2.144 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)oc2C)[C@@H](C)C1 ZINC000245865584 402492685 /nfs/dbraw/zinc/49/26/85/402492685.db2.gz IOLIOBUVEOPTCL-FZMZJTMJSA-N 1 0 314.451 2.247 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)oc2C)[C@@H](C)C1 ZINC000245865589 402492796 /nfs/dbraw/zinc/49/27/96/402492796.db2.gz IOLIOBUVEOPTCL-SMDDNHRTSA-N 1 0 314.451 2.247 10 0 DEAERO CNc1ncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)s1 ZINC000245895442 402495620 /nfs/dbraw/zinc/49/56/20/402495620.db2.gz SJWOPQTVNPEHCL-NEPJUHHUSA-N 1 0 308.451 2.272 10 0 DEAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)NCCCC1CCCCC1 ZINC000245915425 402497010 /nfs/dbraw/zinc/49/70/10/402497010.db2.gz KRIGZPRTLCJXER-KRWDZBQOSA-N 1 0 307.482 2.243 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000245914067 402497117 /nfs/dbraw/zinc/49/71/17/402497117.db2.gz QHWNYKLFTSMOMG-TZMCWYRMSA-N 1 0 304.390 2.467 10 0 DEAERO CC(C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000246160119 402513965 /nfs/dbraw/zinc/51/39/65/402513965.db2.gz QJGSFDIHYBPFGV-IRXDYDNUSA-N 1 0 316.449 2.311 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(C(=O)NC)c1 ZINC000245972675 402501676 /nfs/dbraw/zinc/50/16/76/402501676.db2.gz FWRHYADMUMZVKQ-SJORKVTESA-N 1 0 301.434 2.105 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000187617780 402506230 /nfs/dbraw/zinc/50/62/30/402506230.db2.gz FFXBRTNJDYZHMV-YOEHRIQHSA-N 1 0 310.413 2.071 10 0 DEAERO CCC[C@H](C)CS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246051395 402506257 /nfs/dbraw/zinc/50/62/57/402506257.db2.gz CIJCTMGIJARYBS-ZNMIVQPWSA-N 1 0 302.484 2.311 10 0 DEAERO CC(C)N(C(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1)C(C)C ZINC000178515736 402506917 /nfs/dbraw/zinc/50/69/17/402506917.db2.gz BWYKHQUKPUCPFX-AWEZNQCLSA-N 1 0 312.454 2.295 10 0 DEAERO COC[C@@H](C)C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000187682235 402508118 /nfs/dbraw/zinc/50/81/18/402508118.db2.gz OXKAOMGCVAGLJA-UONOGXRCSA-N 1 0 320.433 2.277 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000246088165 402508233 /nfs/dbraw/zinc/50/82/33/402508233.db2.gz GJXUXZICTHXNEU-SWLSCSKDSA-N 1 0 314.426 2.177 10 0 DEAERO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246097139 402509379 /nfs/dbraw/zinc/50/93/79/402509379.db2.gz OIEOCVWKBASTAT-ZIAGYGMSSA-N 1 0 319.453 2.049 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cc3cnn(C(C)C)c3nc2C)CC1 ZINC000179132783 402574436 /nfs/dbraw/zinc/57/44/36/402574436.db2.gz XVSKWHQREIBLMZ-UHFFFAOYSA-N 1 0 315.421 2.145 10 0 DEAERO Cc1nccn1C[C@H]1CCCN1C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000178848116 402546761 /nfs/dbraw/zinc/54/67/61/402546761.db2.gz WTHCJVHLHFHSLE-WMLDXEAASA-N 1 0 318.465 2.208 10 0 DEAERO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178869987 402548879 /nfs/dbraw/zinc/54/88/79/402548879.db2.gz USPRNLNRLZMOAD-HNNXBMFYSA-N 1 0 307.482 2.336 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H]1C ZINC000246933830 402549454 /nfs/dbraw/zinc/54/94/54/402549454.db2.gz QMEJWCWOFMCQQP-JJTUDDRGSA-N 1 0 309.498 2.342 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCc1ccccn1 ZINC000246926386 402549627 /nfs/dbraw/zinc/54/96/27/402549627.db2.gz JJNRNQRKOUFOFC-IRXDYDNUSA-N 1 0 301.434 2.490 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(N(C)C)cc2F)C1 ZINC000246942303 402550498 /nfs/dbraw/zinc/55/04/98/402550498.db2.gz ZIAMDDISNFUSFB-BLLLJJGKSA-N 1 0 307.413 2.350 10 0 DEAERO COC(=O)c1coc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000171037664 402551447 /nfs/dbraw/zinc/55/14/47/402551447.db2.gz ADAHQJCTVRCNTQ-ZDUSSCGKSA-N 1 0 315.373 2.395 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CCCc2ccccc21 ZINC000246973807 402551619 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SLBBGUFKQJDDKT-MRXNPFEDSA-N 1 0 304.438 2.406 10 0 DEAERO Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n(C)n1 ZINC000174184928 402730557 /nfs/dbraw/zinc/73/05/57/402730557.db2.gz KTNQEEYSZRIKDE-KGLIPLIRSA-N 1 0 305.426 2.208 10 0 DEAERO CC[C@]1(C)CCC[N@@H+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000174197217 402731063 /nfs/dbraw/zinc/73/10/63/402731063.db2.gz RHLVTRJZVGFNIL-RHSMWYFYSA-N 1 0 304.438 2.346 10 0 DEAERO C[C@@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1nccs1 ZINC000174244797 402733481 /nfs/dbraw/zinc/73/34/81/402733481.db2.gz FYPXNXYPIAOQTD-CHWSQXEVSA-N 1 0 308.451 2.331 10 0 DEAERO CS[C@@H]1CCCCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000262834395 402735018 /nfs/dbraw/zinc/73/50/18/402735018.db2.gz SLBBPGJISGYUNG-UONOGXRCSA-N 1 0 322.478 2.165 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000262841823 402735674 /nfs/dbraw/zinc/73/56/74/402735674.db2.gz RIRHAPJAADSTFF-YGRLFVJLSA-N 1 0 302.378 2.480 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000262927128 402736635 /nfs/dbraw/zinc/73/66/35/402736635.db2.gz ZVIBNTLUHLZKCB-DGCLKSJQSA-N 1 0 304.438 2.243 10 0 DEAERO C[C@@H](O)CN1CC[N@H+](CCSCc2ccccc2)C[C@@H]1C ZINC000192575014 402738248 /nfs/dbraw/zinc/73/82/48/402738248.db2.gz BMKAORYSPCKVLK-JKSUJKDBSA-N 1 0 308.491 2.307 10 0 DEAERO COCc1csc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000174376743 402738512 /nfs/dbraw/zinc/73/85/12/402738512.db2.gz WWFUYWSDXYCRKJ-JQWIXIFHSA-N 1 0 312.439 2.236 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCOCCC(C)C ZINC000174399454 402739503 /nfs/dbraw/zinc/73/95/03/402739503.db2.gz LOWGMGRRRBHEMD-JKSUJKDBSA-N 1 0 311.470 2.317 10 0 DEAERO COCc1csc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000174398314 402739718 /nfs/dbraw/zinc/73/97/18/402739718.db2.gz DYQQMSPZFKMGAW-NSHDSACASA-N 1 0 312.439 2.285 10 0 DEAERO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000192622396 402740873 /nfs/dbraw/zinc/74/08/73/402740873.db2.gz OJFLHIJTDYFIIQ-KGLIPLIRSA-N 1 0 315.421 2.223 10 0 DEAERO C[C@H](CCNC(=O)[C@H]1CCCn2ccnc21)[NH+]1CCCCC1 ZINC000183130625 402741582 /nfs/dbraw/zinc/74/15/82/402741582.db2.gz ZIPOSDBWQJGDIR-CABCVRRESA-N 1 0 304.438 2.141 10 0 DEAERO C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183606066 402781217 /nfs/dbraw/zinc/78/12/17/402781217.db2.gz IKERHYWCFWOLAU-SUMWQHHRSA-N 1 0 313.401 2.390 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc([C@@]2(C)CCCc3ccccc32)n1 ZINC000263250920 402750796 /nfs/dbraw/zinc/75/07/96/402750796.db2.gz PWFNIGLJPVNYIY-YJBOKZPZSA-N 1 0 312.417 2.288 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2cnc(Cl)cn2)[C@@H]1c1ccccc1 ZINC000192831868 402752524 /nfs/dbraw/zinc/75/25/24/402752524.db2.gz MELTYOQBDUSVQI-WFASDCNBSA-N 1 0 316.792 2.305 10 0 DEAERO Cc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)nc2ccccc12 ZINC000263286112 402754339 /nfs/dbraw/zinc/75/43/39/402754339.db2.gz UZRGDDYRBWAERZ-HNNXBMFYSA-N 1 0 309.373 2.169 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)NCC1CC[NH+](C)CC1 ZINC000174746656 402755143 /nfs/dbraw/zinc/75/51/43/402755143.db2.gz LVUBRMGIYQTWTO-HNNXBMFYSA-N 1 0 319.449 2.233 10 0 DEAERO C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@H](O)c1ccc(F)cc1 ZINC000183613258 402781786 /nfs/dbraw/zinc/78/17/86/402781786.db2.gz HVRQIZPTMIQWCP-BZNIZROVSA-N 1 0 317.364 2.139 10 0 DEAERO CN1CCN([C@H]2CCCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000174880052 402761210 /nfs/dbraw/zinc/76/12/10/402761210.db2.gz YJGNDYZONDNYPL-SFHVURJKSA-N 1 0 305.441 2.428 10 0 DEAERO O[C@H](CNCc1cnc(-c2ccco2)s1)C[NH+]1CCCCC1 ZINC000193037070 402761249 /nfs/dbraw/zinc/76/12/49/402761249.db2.gz GYDUJDNXWMLWME-CYBMUJFWSA-N 1 0 321.446 2.340 10 0 DEAERO Cc1cnc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)s1 ZINC000174922605 402763761 /nfs/dbraw/zinc/76/37/61/402763761.db2.gz ZQXZPQOHKQCTLA-CHWSQXEVSA-N 1 0 306.435 2.168 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1cncc(F)c1 ZINC000174995600 402769665 /nfs/dbraw/zinc/76/96/65/402769665.db2.gz ZCOXEPZFYCEFOM-DOOVEFGSSA-N 1 0 303.381 2.319 10 0 DEAERO Cc1cc(C)cc([C@@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C2)c1 ZINC000183467063 402769966 /nfs/dbraw/zinc/76/99/66/402769966.db2.gz BTUOGPJMLYLBSH-OAHLLOKOSA-N 1 0 315.417 2.035 10 0 DEAERO Cc1nc2ccccc2n1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183477679 402770840 /nfs/dbraw/zinc/77/08/40/402770840.db2.gz CFZHINZICULNNQ-UHFFFAOYSA-N 1 0 323.400 2.236 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000175016562 402772192 /nfs/dbraw/zinc/77/21/92/402772192.db2.gz SLTJHGUSAFBHPU-INMHGKMJSA-N 1 0 300.402 2.075 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(C)cc1 ZINC000175044731 402774131 /nfs/dbraw/zinc/77/41/31/402774131.db2.gz BRFUVBQTLQKAKL-IAGOWNOFSA-N 1 0 301.434 2.492 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)c1ccccc1 ZINC000175047809 402774257 /nfs/dbraw/zinc/77/42/57/402774257.db2.gz VFWBEMZOTLPUAJ-DOTOQJQBSA-N 1 0 301.434 2.208 10 0 DEAERO NC(=O)[C@H]1CCCCN1Cc1ncc(-c2cccc(F)c2)o1 ZINC000175068228 402775754 /nfs/dbraw/zinc/77/57/54/402775754.db2.gz LUFQPDSXMGJBBT-CYBMUJFWSA-N 1 0 303.337 2.321 10 0 DEAERO C[C@@H](CCc1cccn1C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183588130 402778939 /nfs/dbraw/zinc/77/89/39/402778939.db2.gz GLIPBBOARIWONH-ZDUSSCGKSA-N 1 0 300.406 2.237 10 0 DEAERO CCN(CC)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195314838 402841907 /nfs/dbraw/zinc/84/19/07/402841907.db2.gz UORVBPHBTODXGR-QGZVFWFLSA-N 1 0 301.434 2.453 10 0 DEAERO CCCCO[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C1(C)C ZINC000175910847 402841999 /nfs/dbraw/zinc/84/19/99/402841999.db2.gz AQQDGKZZDPUTRK-RRFJBIMHSA-N 1 0 311.470 2.316 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2nnc(C(F)(F)F)s2)C1 ZINC000194326221 402792024 /nfs/dbraw/zinc/79/20/24/402792024.db2.gz RYRKPEUPJVNRLN-ZETCQYMHSA-N 1 0 323.344 2.163 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(-n3cccn3)cc2)C1 ZINC000194331670 402792937 /nfs/dbraw/zinc/79/29/37/402792937.db2.gz RSKLQAFKRMFUMU-OAHLLOKOSA-N 1 0 313.405 2.478 10 0 DEAERO C[NH+]1CCC(C[NH2+]C[C@H]2CCC=CO2)(N2CCCCC2)CC1 ZINC000194485135 402799575 /nfs/dbraw/zinc/79/95/75/402799575.db2.gz LAYYCTZKCMIYTK-QGZVFWFLSA-N 1 0 307.482 2.219 10 0 DEAERO C[C@H]1COCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000194628085 402805898 /nfs/dbraw/zinc/80/58/98/402805898.db2.gz MVYONTVEXGPDJH-DZGCQCFKSA-N 1 0 310.463 2.311 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)c2ncc(C)s2)C1 ZINC000175435967 402806442 /nfs/dbraw/zinc/80/64/42/402806442.db2.gz IFHMRJURPRAHKO-GFCCVEGCSA-N 1 0 310.467 2.470 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)cc(OC)c1O ZINC000175446721 402807371 /nfs/dbraw/zinc/80/73/71/402807371.db2.gz XEOFHRAFMGQJMJ-ZIAGYGMSSA-N 1 0 318.417 2.408 10 0 DEAERO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195339115 402843025 /nfs/dbraw/zinc/84/30/25/402843025.db2.gz JEVGLKVLJLCFQO-VXGBXAGGSA-N 1 0 310.344 2.039 10 0 DEAERO CCc1c(C(=O)NC[C@@H]2CCC[N@@H+]2C)cnn1-c1ccccc1 ZINC000194706931 402811598 /nfs/dbraw/zinc/81/15/98/402811598.db2.gz NKUNKLYYAQBRHG-HNNXBMFYSA-N 1 0 312.417 2.259 10 0 DEAERO COC(=O)c1coc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000184005198 402811610 /nfs/dbraw/zinc/81/16/10/402811610.db2.gz LYJHRXIMBULTST-ZDUSSCGKSA-N 1 0 322.405 2.164 10 0 DEAERO COc1ccc2c(CC(=O)NC[C@@H]3CCC[N@@H+]3C)coc2c1 ZINC000194743864 402814195 /nfs/dbraw/zinc/81/41/95/402814195.db2.gz JJVCSUOYYJYFQI-ZDUSSCGKSA-N 1 0 302.374 2.194 10 0 DEAERO Cc1cc2c(cc1C)[C@@H](C(=O)N1CCC([NH+](C)C)CC1)CO2 ZINC000184067470 402815676 /nfs/dbraw/zinc/81/56/76/402815676.db2.gz LRARVSSGIAXLAG-INIZCTEOSA-N 1 0 302.418 2.332 10 0 DEAERO CC(C)OC(=O)c1cccnc1N1CCC[N@@H+](C2CC2)CC1 ZINC000184100619 402817777 /nfs/dbraw/zinc/81/77/77/402817777.db2.gz AFKFUFMLFSNSNM-UHFFFAOYSA-N 1 0 303.406 2.321 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000194894748 402821809 /nfs/dbraw/zinc/82/18/09/402821809.db2.gz AVYYHTPMMGXLLG-XJKSGUPXSA-N 1 0 318.421 2.094 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(O)c1 ZINC000194901072 402821822 /nfs/dbraw/zinc/82/18/22/402821822.db2.gz OWFWVWTXUWZTAG-DZGCQCFKSA-N 1 0 300.406 2.445 10 0 DEAERO Cn1c2ccc(C[N@H+](C)CC3(O)CCCC3)cc2sc1=O ZINC000195025493 402827460 /nfs/dbraw/zinc/82/74/60/402827460.db2.gz KNRNHUSCPRMDPE-UHFFFAOYSA-N 1 0 306.431 2.337 10 0 DEAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184244253 402830086 /nfs/dbraw/zinc/83/00/86/402830086.db2.gz NRVXPPYUMNQQEN-CYBMUJFWSA-N 1 0 319.453 2.091 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000175773821 402831615 /nfs/dbraw/zinc/83/16/15/402831615.db2.gz OQEHQWSTWHEKFK-ZBFHGGJFSA-N 1 0 321.469 2.096 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N1CCc2c1cccc2F ZINC000184445134 402844334 /nfs/dbraw/zinc/84/43/34/402844334.db2.gz XQSGXVXHXCJUQF-UHFFFAOYSA-N 1 0 321.396 2.010 10 0 DEAERO CNC(=O)[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)C(C)C ZINC000183642300 402784871 /nfs/dbraw/zinc/78/48/71/402784871.db2.gz ILKWZKWEVIAFBE-ZDUSSCGKSA-N 1 0 318.339 2.444 10 0 DEAERO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(c3ccnn3C)CC2)C1 ZINC000195502952 402847599 /nfs/dbraw/zinc/84/75/99/402847599.db2.gz VJXNYZLKQAZDJV-GASCZTMLSA-N 1 0 318.465 2.104 10 0 DEAERO CC/C=C/CC[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000184526926 402849202 /nfs/dbraw/zinc/84/92/02/402849202.db2.gz PQSIFQHVVMMBOI-AATRIKPKSA-N 1 0 314.437 2.150 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc2nnc(C(F)F)n2n1 ZINC000271358072 402862179 /nfs/dbraw/zinc/86/21/79/402862179.db2.gz OIZPDMXPGOGVSK-QWRGUYRKSA-N 1 0 322.363 2.125 10 0 DEAERO c1[nH]nc2c1CC[C@@H](c1nc(-c3ccn4c[nH+]cc4c3)no1)C2 ZINC000279489191 402948412 /nfs/dbraw/zinc/94/84/12/402948412.db2.gz HPCRSMFVPKENTA-LLVKDONJSA-N 1 0 306.329 2.380 10 0 DEAERO CCS(=O)(=O)N(C)C1CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000274473590 403059065 /nfs/dbraw/zinc/05/90/65/403059065.db2.gz ACZWKQPULLRNMZ-DLBZAZTESA-N 1 0 322.474 2.288 10 0 DEAERO Brc1ccc2c(c1)CC[C@H]2[NH2+]CCn1cncn1 ZINC000268793882 403114661 /nfs/dbraw/zinc/11/46/61/403114661.db2.gz CVLOKORILSOSPT-CYBMUJFWSA-N 1 0 307.195 2.318 10 0 DEAERO CC(=O)c1ccccc1OCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292189084 403316071 /nfs/dbraw/zinc/31/60/71/403316071.db2.gz RDPKAJIKJQNBAK-SFHVURJKSA-N 1 0 302.418 2.296 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H]1c1ccccc1 ZINC000332700704 403602176 /nfs/dbraw/zinc/60/21/76/403602176.db2.gz AYISWWOWIIXZQH-QAPCUYQASA-N 1 0 324.428 2.395 10 0 DEAERO Cc1cc(C)n(-c2cncc(NCC[N@H+]3CCC[C@H](C)C3)n2)n1 ZINC000301504993 403638624 /nfs/dbraw/zinc/63/86/24/403638624.db2.gz GMQWGNDXRQYGOB-ZDUSSCGKSA-N 1 0 314.437 2.423 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2ccc3[nH]ccc3c2)C1 ZINC000333065542 403658774 /nfs/dbraw/zinc/65/87/74/403658774.db2.gz JJFPBYKQOXPBIB-INIZCTEOSA-N 1 0 314.433 2.494 10 0 DEAERO Cc1cc(NC(=O)N(C)[C@@H]2CCC[NH2+]CC2)cn2ccnc12 ZINC000333098080 403665727 /nfs/dbraw/zinc/66/57/27/403665727.db2.gz AKNVXHVAQCNBHR-CQSZACIVSA-N 1 0 301.394 2.249 10 0 DEAERO COc1ccc(C)nc1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333119227 403670192 /nfs/dbraw/zinc/67/01/92/403670192.db2.gz HWLOKLOUVYFQGP-CQSZACIVSA-N 1 0 318.421 2.395 10 0 DEAERO Cc1cn2cc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)ccc2n1 ZINC000333168442 403684073 /nfs/dbraw/zinc/68/40/73/403684073.db2.gz PHDVLZRKBOKQAE-CFVMTHIKSA-N 1 0 313.405 2.234 10 0 DEAERO CC[C@@H]1CN(c2ncc(C(F)(F)F)s2)CC[N@@H+]1C[C@H](C)O ZINC000302781894 403725401 /nfs/dbraw/zinc/72/54/01/403725401.db2.gz SHEMUHTXDPDNRW-VHSXEESVSA-N 1 0 323.384 2.443 10 0 DEAERO CC[N@H+](C)[C@@H]1CCN(c2ncnc3nc(SC)sc32)C1 ZINC000302835303 403731777 /nfs/dbraw/zinc/73/17/77/403731777.db2.gz VBJDRAHCXQJGJK-SECBINFHSA-N 1 0 309.464 2.339 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1nc(C2CCOCC2)cs1 ZINC000333369539 403736644 /nfs/dbraw/zinc/73/66/44/403736644.db2.gz UTZRRMBQZFFITI-CMPLNLGQSA-N 1 0 324.450 2.157 10 0 DEAERO CCCn1nccc1NC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000333400805 403744131 /nfs/dbraw/zinc/74/41/31/403744131.db2.gz FJDZFLLFFSBRKW-UHFFFAOYSA-N 1 0 302.382 2.428 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000333658900 403806175 /nfs/dbraw/zinc/80/61/75/403806175.db2.gz WSZWDTYBUKJLCJ-LNHVQRHZSA-N 1 0 309.360 2.473 10 0 DEAERO Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333674049 403810896 /nfs/dbraw/zinc/81/08/96/403810896.db2.gz DCDPXZOQNOOILQ-OCCSQVGLSA-N 1 0 303.797 2.309 10 0 DEAERO c1ccc2c(c1)SCC[C@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333686488 403815585 /nfs/dbraw/zinc/81/55/85/403815585.db2.gz FRPHJIAFPDYUOZ-DGCLKSJQSA-N 1 0 301.419 2.205 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)no1 ZINC000333697240 403820156 /nfs/dbraw/zinc/82/01/56/403820156.db2.gz QJPBVEHKMKTLHU-AVGNSLFASA-N 1 0 321.425 2.038 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)no1 ZINC000333697242 403820560 /nfs/dbraw/zinc/82/05/60/403820560.db2.gz QJPBVEHKMKTLHU-UPJWGTAASA-N 1 0 321.425 2.038 10 0 DEAERO CCCN(C(=O)N[C@@H]1CCCC[NH2+]C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000333710368 403826007 /nfs/dbraw/zinc/82/60/07/403826007.db2.gz SGCOBPHRRUGQKU-KLHDSHLOSA-N 1 0 323.481 2.364 10 0 DEAERO Cc1c(Cl)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nn1C ZINC000333712549 403828573 /nfs/dbraw/zinc/82/85/73/403828573.db2.gz IOTMQMRIBJBIIZ-YOGCLGLASA-N 1 0 310.829 2.127 10 0 DEAERO CC(=O)[C@](C)(O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000347728924 403830620 /nfs/dbraw/zinc/83/06/20/403830620.db2.gz BFMSOWBYIHDIJD-LJQANCHMSA-N 1 0 316.445 2.101 10 0 DEAERO O=C1[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)N1Cc1ccc2c[nH+]cn2c1 ZINC000333592022 403787049 /nfs/dbraw/zinc/78/70/49/403787049.db2.gz VHOZNLIQSBOFPF-BMFZPTHFSA-N 1 0 324.384 2.430 10 0 DEAERO O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)N1Cc1ccc2c[nH+]cn2c1 ZINC000333592610 403787367 /nfs/dbraw/zinc/78/73/67/403787367.db2.gz VHOZNLIQSBOFPF-BPUTZDHNSA-N 1 0 324.384 2.430 10 0 DEAERO COc1ccc(C[NH2+][C@H]2CN(C)C[C@H]2C)cc1Br ZINC000343915956 403790212 /nfs/dbraw/zinc/79/02/12/403790212.db2.gz OWZBPGCPDSUNOY-MFKMUULPSA-N 1 0 313.239 2.497 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000333792120 403862656 /nfs/dbraw/zinc/86/26/56/403862656.db2.gz GISXHNCNUFCMAY-DLBZAZTESA-N 1 0 316.449 2.415 10 0 DEAERO CC(C)Cn1ncc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1C1CC1 ZINC000333810955 403869968 /nfs/dbraw/zinc/86/99/68/403869968.db2.gz JHROINHKGSILGT-UHFFFAOYSA-N 1 0 316.449 2.385 10 0 DEAERO C[C@H]1Oc2ccccc2[C@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333857243 403887637 /nfs/dbraw/zinc/88/76/37/403887637.db2.gz RFVQMUXQXMCNSC-DOMZBBRYSA-N 1 0 301.390 2.046 10 0 DEAERO [NH3+]C1(c2ncc(I)cn2)CCCCC1 ZINC000307517460 403953745 /nfs/dbraw/zinc/95/37/45/403953745.db2.gz JKTWVBAJRMCPTR-UHFFFAOYSA-N 1 0 303.147 2.199 10 0 DEAERO Cn1ccnc(N2CCC[C@H]([NH2+]C/C=C\c3ccccc3)C2)c1=O ZINC000337542135 404086308 /nfs/dbraw/zinc/08/63/08/404086308.db2.gz ZPLZLTIRSLDLOI-OOYWPUHTSA-N 1 0 324.428 2.052 10 0 DEAERO CC(=O)c1ccc(NC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000320489126 404067189 /nfs/dbraw/zinc/06/71/89/404067189.db2.gz CHOOGMNDFWAXEM-INIZCTEOSA-N 1 0 301.390 2.447 10 0 DEAERO c1cc(-c2ccc(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)o2)n[nH]1 ZINC000369485712 404113049 /nfs/dbraw/zinc/11/30/49/404113049.db2.gz RWQPBNVOUFJFOI-ZFWWWQNUSA-N 1 0 305.403 2.376 10 0 DEAERO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2C[C@@H]2CCCCO2)n1C ZINC000328631357 404119784 /nfs/dbraw/zinc/11/97/84/404119784.db2.gz KKDQPXNGPBAHQL-GOEBONIOSA-N 1 0 319.449 2.481 10 0 DEAERO CC(=O)c1ncc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000412099900 404134730 /nfs/dbraw/zinc/13/47/30/404134730.db2.gz HWZOEGWGYJMEMG-ZDUSSCGKSA-N 1 0 321.446 2.436 10 0 DEAERO COc1cc([C@H](C)[NH2+]CCCCS(C)(=O)=O)ccc1F ZINC000341872194 404225289 /nfs/dbraw/zinc/22/52/89/404225289.db2.gz UXQRPYNOKLPKIU-NSHDSACASA-N 1 0 303.399 2.310 10 0 DEAERO c1ccc(C[N@@H+]2CCCO[C@@H](CN3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000341890558 404237711 /nfs/dbraw/zinc/23/77/11/404237711.db2.gz ALHPISGLJIUWOK-CEXWTWQISA-N 1 0 316.445 2.141 10 0 DEAERO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC12CCC2 ZINC000329157355 404248840 /nfs/dbraw/zinc/24/88/40/404248840.db2.gz WFSBXTRYFVUDGS-UONOGXRCSA-N 1 0 307.438 2.272 10 0 DEAERO C[C@]12CCCN1C[C@@H](c1noc(CC[C@@H]3CCCCO3)n1)OC2 ZINC000329590339 404385943 /nfs/dbraw/zinc/38/59/43/404385943.db2.gz NOJNBEYRMOCPFG-GRDNDAEWSA-N 1 0 321.421 2.497 10 0 DEAERO CCn1nccc1CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000338569243 404409581 /nfs/dbraw/zinc/40/95/81/404409581.db2.gz HSXMQAAJBKFNPH-IAGOWNOFSA-N 1 0 303.381 2.393 10 0 DEAERO C1CC[NH+]([C@@H]2CCCN(c3nnc(C4CCOCC4)s3)C2)C1 ZINC000338652589 404462133 /nfs/dbraw/zinc/46/21/33/404462133.db2.gz RKCCAEDDXTXYNC-CQSZACIVSA-N 1 0 322.478 2.497 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000373924474 404641274 /nfs/dbraw/zinc/64/12/74/404641274.db2.gz MEXJUXNQBRLSHC-UKRRQHHQSA-N 1 0 319.453 2.492 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c2ccccc2C1 ZINC000352847748 404661740 /nfs/dbraw/zinc/66/17/40/404661740.db2.gz GGTUOBVTPBOJKF-BUTRMIIQSA-N 1 0 322.474 2.227 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H]1CC3(CC3)C(=O)O1)CC2 ZINC000365457351 404665644 /nfs/dbraw/zinc/66/56/44/404665644.db2.gz JDMRYISHPRMPHU-KRWDZBQOSA-N 1 0 313.397 2.386 10 0 DEAERO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cn1 ZINC000330245916 404599441 /nfs/dbraw/zinc/59/94/41/404599441.db2.gz KXMMOYBZBFUSLY-DIECFANBSA-N 1 0 305.422 2.098 10 0 DEAERO CCc1nc(CN2CCC(CNC(=[NH2+])NC3CC3)CC2)cs1 ZINC000374007128 404668076 /nfs/dbraw/zinc/66/80/76/404668076.db2.gz BLEJUZAQSWEZIL-UHFFFAOYSA-N 1 0 321.494 2.194 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)C3CCCCC3)[C@@H]2C1 ZINC000567542423 292320823 /nfs/dbraw/zinc/32/08/23/292320823.db2.gz HYDVEZDIVQMYPA-XWTMOSNGSA-N 1 0 308.466 2.164 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374548277 404708464 /nfs/dbraw/zinc/70/84/64/404708464.db2.gz JRXMAJWWZIESPQ-QLFBSQMISA-N 1 0 319.453 2.164 10 0 DEAERO O=C([C@H]1CCCC12OCCO2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000375098704 404717474 /nfs/dbraw/zinc/71/74/74/404717474.db2.gz CFPRIDYSHMADMA-MRXNPFEDSA-N 1 0 322.449 2.007 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2c(C)nn(C)c2C)C12CCOCC2 ZINC000186304368 286493789 /nfs/dbraw/zinc/49/37/89/286493789.db2.gz CHVKAVJLPQOXLZ-CVEARBPZSA-N 1 0 307.438 2.101 10 0 DEAERO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000435034425 404951324 /nfs/dbraw/zinc/95/13/24/404951324.db2.gz NEXNOEWKGWVNPT-ACJLOTCBSA-N 1 0 321.417 2.271 10 0 DEAERO C(C[NH2+][C@H]1CCN(CCN2CCOCC2)C1)CC1CCCCC1 ZINC000367317677 405011052 /nfs/dbraw/zinc/01/10/52/405011052.db2.gz MNEWGZOERFWRBW-IBGZPJMESA-N 1 0 323.525 2.343 10 0 DEAERO c1cn(-c2ccccc2)nc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000367365677 405025477 /nfs/dbraw/zinc/02/54/77/405025477.db2.gz QOHHAWVUGWNDFX-QAPCUYQASA-N 1 0 313.401 2.300 10 0 DEAERO CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000424049943 404984523 /nfs/dbraw/zinc/98/45/23/404984523.db2.gz AFUBDXYCOXLAAL-CQSZACIVSA-N 1 0 316.401 2.011 10 0 DEAERO COCCCN(C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000190793774 292330516 /nfs/dbraw/zinc/33/05/16/292330516.db2.gz XWNHALURRLXWTI-ZBFHGGJFSA-N 1 0 309.454 2.023 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)CC(=O)c2ccccc2F)C1 ZINC000361364071 405040614 /nfs/dbraw/zinc/04/06/14/405040614.db2.gz ABSLJZCCSLYAJJ-KGLIPLIRSA-N 1 0 320.408 2.493 10 0 DEAERO C[C@@H](Cc1ccccc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000436713222 405128751 /nfs/dbraw/zinc/12/87/51/405128751.db2.gz QHXDWZZUTUNFJJ-AWEZNQCLSA-N 1 0 300.406 2.262 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000361509533 405108491 /nfs/dbraw/zinc/10/84/91/405108491.db2.gz CKVDDDHSARUMCU-CRAIPNDOSA-N 1 0 324.465 2.047 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000408320364 405173002 /nfs/dbraw/zinc/17/30/02/405173002.db2.gz KZCFXWHMMSLQOO-WDEREUQCSA-N 1 0 308.451 2.192 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](Nc2ccc(I)cn2)C1 ZINC000420277196 405306089 /nfs/dbraw/zinc/30/60/89/405306089.db2.gz PZLCSUJOSJMHJO-SCZZXKLOSA-N 1 0 317.174 2.226 10 0 DEAERO C[NH2+]CCOCCNC(=O)CCc1ccc(Cl)cc1Cl ZINC000638582154 405557029 /nfs/dbraw/zinc/55/70/29/405557029.db2.gz TXESBNYODWFZKF-UHFFFAOYSA-N 1 0 319.232 2.278 10 0 DEAERO c1cc(C[NH2+]CCC[C@H]2CCO2)cc(OC2CCOCC2)n1 ZINC000638594391 405562363 /nfs/dbraw/zinc/56/23/63/405562363.db2.gz OMLRVYZAMKZSKP-HNNXBMFYSA-N 1 0 306.406 2.298 10 0 DEAERO COc1nsc(C[NH2+][C@H]2CCCC[C@H]2O)c1Br ZINC000638594048 405563272 /nfs/dbraw/zinc/56/32/72/405563272.db2.gz CMLNDXWUXJGKRL-JGVFFNPUSA-N 1 0 321.240 2.307 10 0 DEAERO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000449151686 405519147 /nfs/dbraw/zinc/51/91/47/405519147.db2.gz YDYBCYRYLXBUTR-RYRKJORJSA-N 1 0 321.509 2.345 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2cnc(C(C)C)s2)CC12COC2 ZINC000449366782 405527141 /nfs/dbraw/zinc/52/71/41/405527141.db2.gz SQFZVDZOWDTEIB-CYBMUJFWSA-N 1 0 324.446 2.278 10 0 DEAERO Cn1cc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c2cc(F)ccc21 ZINC000456176638 405530652 /nfs/dbraw/zinc/53/06/52/405530652.db2.gz YLIVLFVKSLGLAM-BZNIZROVSA-N 1 0 301.365 2.094 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(Br)oc1C ZINC000638573682 405552769 /nfs/dbraw/zinc/55/27/69/405552769.db2.gz HMTUSLQJEIWCHQ-VHSXEESVSA-N 1 0 301.184 2.221 10 0 DEAERO CC[C@@H](CCO)[NH2+]Cc1snc(OC)c1Br ZINC000638666611 405605629 /nfs/dbraw/zinc/60/56/29/405605629.db2.gz MDLFURKDMXMWQA-ZETCQYMHSA-N 1 0 309.229 2.165 10 0 DEAERO CC(C)(CC(N)=O)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000528446111 405609675 /nfs/dbraw/zinc/60/96/75/405609675.db2.gz SCXFTTMGODWKPX-UHFFFAOYSA-N 1 0 321.165 2.471 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)c2c(F)cccc2Br)C[NH2+]1 ZINC000638650156 405594265 /nfs/dbraw/zinc/59/42/65/405594265.db2.gz AUXFPIJPAVRZEA-BDAKNGLRSA-N 1 0 315.186 2.459 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)c2c(F)cccc2Br)C[NH2+]1 ZINC000638650157 405594466 /nfs/dbraw/zinc/59/44/66/405594466.db2.gz AUXFPIJPAVRZEA-DTWKUNHWSA-N 1 0 315.186 2.459 10 0 DEAERO O=C(NC[C@H](O)C1CCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000456865056 405595934 /nfs/dbraw/zinc/59/59/34/405595934.db2.gz HHKWVPSFLGHAKY-KRWDZBQOSA-N 1 0 302.418 2.173 10 0 DEAERO c1ccc(N2CC[C@@H](C[NH2+]CCCO[C@@H]3CCOC3)C2)cc1 ZINC000638741639 405643179 /nfs/dbraw/zinc/64/31/79/405643179.db2.gz ICZBBOYNJHLDFL-FUHWJXTLSA-N 1 0 304.434 2.298 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC000494443175 405698946 /nfs/dbraw/zinc/69/89/46/405698946.db2.gz ASWZLIDGZZZPHB-UHFFFAOYSA-N 1 0 304.434 2.373 10 0 DEAERO CC(=O)c1ccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1O ZINC000636090502 405731922 /nfs/dbraw/zinc/73/19/22/405731922.db2.gz GOABVOMIKMLJHF-LSDHHAIUSA-N 1 0 304.390 2.053 10 0 DEAERO C[C@H]1CN(C(=O)c2cc(Br)ccc2F)C[C@H]1C[NH3+] ZINC000638884651 405739537 /nfs/dbraw/zinc/73/95/37/405739537.db2.gz DIWBGWYYORDABH-DTWKUNHWSA-N 1 0 315.186 2.255 10 0 DEAERO C[C@H]1CN(C(=O)c2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000638884250 405739918 /nfs/dbraw/zinc/73/99/18/405739918.db2.gz GNIOUKQRMSFGNF-JGVFFNPUSA-N 1 0 303.225 2.177 10 0 DEAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c(Br)c1 ZINC000638888560 405741737 /nfs/dbraw/zinc/74/17/37/405741737.db2.gz BKMJCQXDAWHIEA-MNOVXSKESA-N 1 0 311.223 2.424 10 0 DEAERO C[N@H+](CCCCNC(=O)NC1(CCO)CCCCC1)C1CC1 ZINC000459167695 405779731 /nfs/dbraw/zinc/77/97/31/405779731.db2.gz ULFIAKWDCNSLAD-UHFFFAOYSA-N 1 0 311.470 2.245 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@H](C)[NH+]1CCCC1)CC2 ZINC000530473586 405809460 /nfs/dbraw/zinc/80/94/60/405809460.db2.gz AXBHURISBZQFAC-UONOGXRCSA-N 1 0 318.465 2.239 10 0 DEAERO Cc1cc(N2CC[C@H]([NH2+][C@H]3CC[C@H]3C3CCC3)C2=O)n(C)n1 ZINC000560941456 405879409 /nfs/dbraw/zinc/87/94/09/405879409.db2.gz BBENSZJCDAGMEL-KKUMJFAQSA-N 1 0 302.422 2.002 10 0 DEAERO COc1ccc([C@H]([NH2+]C2CCC(O)CC2)c2nccn2C)cc1 ZINC000560521910 405840370 /nfs/dbraw/zinc/84/03/70/405840370.db2.gz KHIMWUJFLNKCRI-DQPZFDDXSA-N 1 0 315.417 2.411 10 0 DEAERO c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@H]1CNCCO1)CCCC2 ZINC000423531129 405846029 /nfs/dbraw/zinc/84/60/29/405846029.db2.gz XOYDROQNQXJOHJ-SJLPKXTDSA-N 1 0 316.445 2.357 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NCCC[N@H+](C)C(C)C)c1 ZINC000457461562 405850743 /nfs/dbraw/zinc/85/07/43/405850743.db2.gz ZBVVLMIPBKONLI-UHFFFAOYSA-N 1 0 306.406 2.242 10 0 DEAERO CO[C@]1(C[NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CCOC1 ZINC000639072787 405862091 /nfs/dbraw/zinc/86/20/91/405862091.db2.gz ZTGVQJDRJGVFDV-MOPGFXCFSA-N 1 0 318.461 2.436 10 0 DEAERO C[C@H]1CCCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530813705 405864064 /nfs/dbraw/zinc/86/40/64/405864064.db2.gz AXRXJCONRZYNBS-QFBILLFUSA-N 1 0 316.445 2.272 10 0 DEAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCCC1CC1 ZINC000531139835 405915133 /nfs/dbraw/zinc/91/51/33/405915133.db2.gz UUIZJQGXWIKSAU-UHFFFAOYSA-N 1 0 317.433 2.302 10 0 DEAERO c1ccc2c(CC[NH2+]Cc3cc4c(cn3)OCCO4)noc2c1 ZINC000639304373 406032707 /nfs/dbraw/zinc/03/27/07/406032707.db2.gz YBHSRCLQYJRRIR-UHFFFAOYSA-N 1 0 311.341 2.326 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000450973359 406006300 /nfs/dbraw/zinc/00/63/00/406006300.db2.gz JSISGTDRDDWWQE-AWEZNQCLSA-N 1 0 319.323 2.400 10 0 DEAERO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532125094 406047976 /nfs/dbraw/zinc/04/79/76/406047976.db2.gz ZSWQUBMLWFXILE-UONOGXRCSA-N 1 0 312.454 2.345 10 0 DEAERO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000639350313 406060087 /nfs/dbraw/zinc/06/00/87/406060087.db2.gz DZUSCDVKSRYQOV-UHFFFAOYSA-N 1 0 310.366 2.088 10 0 DEAERO CC[NH+](CC)CC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532379478 406072461 /nfs/dbraw/zinc/07/24/61/406072461.db2.gz MSDSFZIRZQZBRL-AWEZNQCLSA-N 1 0 312.454 2.299 10 0 DEAERO c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@@]3(C1)OCc1ccccc13)CC2 ZINC000639593874 406160316 /nfs/dbraw/zinc/16/03/16/406160316.db2.gz WVJJUTRSYLLYHS-YJBOKZPZSA-N 1 0 310.401 2.287 10 0 DEAERO Cn1ccc2c1cccc2NC(=O)NCCNc1cc[nH+]cc1 ZINC000533815450 406163532 /nfs/dbraw/zinc/16/35/32/406163532.db2.gz NQQAOBSZOYSAEY-UHFFFAOYSA-N 1 0 309.373 2.229 10 0 DEAERO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)CC(=O)NCCc2ccccc2)C1 ZINC000471791204 406119022 /nfs/dbraw/zinc/11/90/22/406119022.db2.gz IFAHNHFJKRKISX-USXIJHARSA-N 1 0 304.434 2.281 10 0 DEAERO C[C@]1(c2nc(-c3ccc(Br)cc3)no2)C[NH2+]CCO1 ZINC000634558237 406170560 /nfs/dbraw/zinc/17/05/60/406170560.db2.gz TXWKRLHBGKMHQZ-CYBMUJFWSA-N 1 0 324.178 2.334 10 0 DEAERO CC(=O)N(CC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000639528033 406130997 /nfs/dbraw/zinc/13/09/97/406130997.db2.gz ZPRAQHNLZIMQSJ-HNNXBMFYSA-N 1 0 317.433 2.030 10 0 DEAERO c1cnn(-c2ccc(C[N@@H+]3CC[C@@H](Nc4ncccn4)C3)cc2)c1 ZINC000567905385 406158232 /nfs/dbraw/zinc/15/82/32/406158232.db2.gz VLYZIMPZMHGNLM-MRXNPFEDSA-N 1 0 320.400 2.349 10 0 DEAERO CSCC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000193952703 286660801 /nfs/dbraw/zinc/66/08/01/286660801.db2.gz RSWCJFCOROQDPT-AWEZNQCLSA-N 1 0 320.458 2.454 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NCc1cc2ccccc2o1 ZINC000535260933 406217250 /nfs/dbraw/zinc/21/72/50/406217250.db2.gz LKQKLPSUWRGMDC-UHFFFAOYSA-N 1 0 310.357 2.161 10 0 DEAERO CCOC[C@@H](O)C[NH2+][C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000634724959 406248756 /nfs/dbraw/zinc/24/87/56/406248756.db2.gz BRUNCQQEWIFUKY-MOPGFXCFSA-N 1 0 320.477 2.418 10 0 DEAERO O=C(c1ncccc1Br)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632862321 406296207 /nfs/dbraw/zinc/29/62/07/406296207.db2.gz AWHBXEAIBSQZLD-PWSUYJOCSA-N 1 0 324.222 2.058 10 0 DEAERO c1csc(-c2nccc(N3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)n1 ZINC000634812899 406296217 /nfs/dbraw/zinc/29/62/17/406296217.db2.gz UBAAXJMYLZGHQE-RYUDHWBXSA-N 1 0 301.419 2.178 10 0 DEAERO CC(=O)N(C)c1ccc(NC(=O)N2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000632909188 406315347 /nfs/dbraw/zinc/31/53/47/406315347.db2.gz JTSUMMPMFLQCAA-CQSZACIVSA-N 1 0 318.421 2.405 10 0 DEAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000488718025 406340568 /nfs/dbraw/zinc/34/05/68/406340568.db2.gz GCUZCYQIVDQZMQ-BFYDXBDKSA-N 1 0 321.461 2.427 10 0 DEAERO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488800140 406350411 /nfs/dbraw/zinc/35/04/11/406350411.db2.gz DVRFNOWQBCUPFR-FUHWJXTLSA-N 1 0 318.461 2.436 10 0 DEAERO [NH3+][C@@H]1CC=C(C(=O)NCCc2ccc(Br)cc2)C1 ZINC000637911662 406473758 /nfs/dbraw/zinc/47/37/58/406473758.db2.gz XYCGWLJRJSYPPO-CYBMUJFWSA-N 1 0 309.207 2.155 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000548075146 406477217 /nfs/dbraw/zinc/47/72/17/406477217.db2.gz PFBNLCWYFVIACN-OAHLLOKOSA-N 1 0 301.390 2.236 10 0 DEAERO CC[N@@H+]1CCC[C@@H](CNCc2cnnn2Cc2ccccc2)C1 ZINC000490793398 406493390 /nfs/dbraw/zinc/49/33/90/406493390.db2.gz GXIGEXJGQBRTDC-KRWDZBQOSA-N 1 0 313.449 2.148 10 0 DEAERO CC(=O)N(C)c1ccccc1NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000570736305 406433285 /nfs/dbraw/zinc/43/32/85/406433285.db2.gz BTTOQUXTOLRZPX-NSHDSACASA-N 1 0 300.362 2.210 10 0 DEAERO CCC[N@H+](C[C@@H](O)COC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490033542 406447522 /nfs/dbraw/zinc/44/75/22/406447522.db2.gz MYBKSIZQXKLUSN-LSDHHAIUSA-N 1 0 308.422 2.041 10 0 DEAERO CC(C)C[C@H]1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000637992953 406514440 /nfs/dbraw/zinc/51/44/40/406514440.db2.gz WIKGQGAJQYUMEJ-QZTJIDSGSA-N 1 0 317.477 2.340 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)C2(c3cccnc3)CC2)CC1 ZINC000550155732 406599905 /nfs/dbraw/zinc/59/99/05/406599905.db2.gz YEBNHZKAMSQPBC-UHFFFAOYSA-N 1 0 301.434 2.351 10 0 DEAERO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638313475 406693255 /nfs/dbraw/zinc/69/32/55/406693255.db2.gz XAMDBVYSNYQFMP-OIISXLGYSA-N 1 0 303.450 2.235 10 0 DEAERO CCC1(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CCOCC1 ZINC000572738493 406731490 /nfs/dbraw/zinc/73/14/90/406731490.db2.gz HKSKPXYDKIWAJH-CVEARBPZSA-N 1 0 311.466 2.351 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H]2CCCC23CCOCC3)CC1 ZINC000554525472 406806964 /nfs/dbraw/zinc/80/69/64/406806964.db2.gz GKPUQUMGZFCTNO-INIZCTEOSA-N 1 0 321.465 2.287 10 0 DEAERO COC(=O)CCC(=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000575358871 406807331 /nfs/dbraw/zinc/80/73/31/406807331.db2.gz HFNOQTKQJHZWLS-UHFFFAOYSA-N 1 0 305.374 2.297 10 0 DEAERO COC[C@@]1(C(=O)NCc2cccc(Cl)c2Cl)CCC[NH2+]1 ZINC000643629751 407019648 /nfs/dbraw/zinc/01/96/48/407019648.db2.gz ZXISRBKSWKYXRC-CQSZACIVSA-N 1 0 317.216 2.378 10 0 DEAERO NC1=[NH+]C[C@@H]([C@@H]2CCCO2)N1c1ccccc1Br ZINC000129270967 196034594 /nfs/dbraw/zinc/03/45/94/196034594.db2.gz VHEGOWKWUCGLRW-RYUDHWBXSA-N 1 0 310.195 2.131 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1OCCc2ccccc21 ZINC000129395563 196044772 /nfs/dbraw/zinc/04/47/72/196044772.db2.gz OANVQDWGOWCYLI-PBHICJAKSA-N 1 0 302.418 2.291 10 0 DEAERO CN(CC[C@H]1COCC[NH2+]1)Cc1csc(Br)c1 ZINC000129417663 196046404 /nfs/dbraw/zinc/04/64/04/196046404.db2.gz LMSNIAJKXRVNEC-NSHDSACASA-N 1 0 319.268 2.321 10 0 DEAERO CC(C)C[NH2+]C[C@H]1CC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129456552 196050626 /nfs/dbraw/zinc/05/06/26/196050626.db2.gz MXFUNYQWCDMAPW-HRCADAONSA-N 1 0 316.511 2.320 10 0 DEAERO Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@H]([NH+](C)C)C3)C2)c1 ZINC000129598160 196060381 /nfs/dbraw/zinc/06/03/81/196060381.db2.gz OVSJLEYVSVWOOP-OWCLPIDISA-N 1 0 319.453 2.021 10 0 DEAERO CC(=O)c1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)n(C)c1 ZINC000129823356 196078563 /nfs/dbraw/zinc/07/85/63/196078563.db2.gz IJSNXZBWEMMKCD-UHFFFAOYSA-N 1 0 305.422 2.078 10 0 DEAERO [NH3+][C@@H]1CCN(c2cc(-c3ccc(Br)s3)[nH]n2)C1 ZINC000130597284 196094442 /nfs/dbraw/zinc/09/44/42/196094442.db2.gz JRSTWZFYADYSGJ-SSDOTTSWSA-N 1 0 313.224 2.438 10 0 DEAERO CC[NH2+]C[C@H]1COCCN1Cc1cc(Br)cs1 ZINC000130841329 196115199 /nfs/dbraw/zinc/11/51/99/196115199.db2.gz OSJWUCFWQGIJCZ-NSHDSACASA-N 1 0 319.268 2.321 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130994003 196130903 /nfs/dbraw/zinc/13/09/03/196130903.db2.gz UKVYTNAGOYNKMN-KGLIPLIRSA-N 1 0 300.443 2.240 10 0 DEAERO Cc1c(C(F)(F)F)cccc1S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000131013855 196131318 /nfs/dbraw/zinc/13/13/18/196131318.db2.gz BVKZQPXMACVJIK-SNVBAGLBSA-N 1 0 322.352 2.126 10 0 DEAERO C[C@H](CNS(=O)(=O)c1cccc(C[NH3+])c1)c1ccccc1 ZINC000131162770 196145349 /nfs/dbraw/zinc/14/53/49/196145349.db2.gz NQNZXOXYTSIRDJ-CYBMUJFWSA-N 1 0 304.415 2.227 10 0 DEAERO CSCC[C@H](C)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000131235541 196152234 /nfs/dbraw/zinc/15/22/34/196152234.db2.gz AMNNYOQKENLDMR-WDEREUQCSA-N 1 0 302.465 2.126 10 0 DEAERO CCC[NH2+]CCCCS(=O)(=O)NCCCCC(F)(F)F ZINC000131245791 196153020 /nfs/dbraw/zinc/15/30/20/196153020.db2.gz AOCRGVXDNZYVPA-UHFFFAOYSA-N 1 0 318.405 2.418 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1Sc1ncns1)OCCO2 ZINC000131324829 196160539 /nfs/dbraw/zinc/16/05/39/196160539.db2.gz ADLCOYHBFIMYMM-WDEREUQCSA-N 1 0 315.464 2.294 10 0 DEAERO CC(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000131712675 196192776 /nfs/dbraw/zinc/19/27/76/196192776.db2.gz LBFUVYUNRRKUFM-JKSUJKDBSA-N 1 0 316.511 2.416 10 0 DEAERO CCc1nc(-c2ccc(Br)cn2)nc2c1C[NH2+]C2 ZINC000131725195 196194280 /nfs/dbraw/zinc/19/42/80/196194280.db2.gz HHBLQCXHPWIMAI-UHFFFAOYSA-N 1 0 305.179 2.467 10 0 DEAERO CC[NH2+][C@@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)CC(C)C ZINC000131751622 196196192 /nfs/dbraw/zinc/19/61/92/196196192.db2.gz FHBILCFVXRCXSF-CABCVRRESA-N 1 0 304.500 2.462 10 0 DEAERO [NH3+]C1CCC(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000131832306 196203044 /nfs/dbraw/zinc/20/30/44/196203044.db2.gz MDLFSXKXFQNHRH-UHFFFAOYSA-N 1 0 317.364 2.409 10 0 DEAERO CC[C@]1(C)CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000132116433 196228100 /nfs/dbraw/zinc/22/81/00/196228100.db2.gz BSQHZAXEGGGMIV-LSDHHAIUSA-N 1 0 302.484 2.170 10 0 DEAERO Cc1cc(F)ccc1CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000132676282 196275471 /nfs/dbraw/zinc/27/54/71/196275471.db2.gz CBHAMQYBXCDXFV-QGZVFWFLSA-N 1 0 317.408 2.332 10 0 DEAERO c1csc(N2CC[NH+](C[C@H]3CNc4ccccc43)CC2)n1 ZINC000132706534 196277155 /nfs/dbraw/zinc/27/71/55/196277155.db2.gz GACRFPLMDMCRKL-CYBMUJFWSA-N 1 0 300.431 2.474 10 0 DEAERO CC[C@H]([NH2+]CCNC(N)=O)c1ccc(Br)cc1 ZINC000132781811 196283482 /nfs/dbraw/zinc/28/34/82/196283482.db2.gz UCOAGHRJUXEANZ-NSHDSACASA-N 1 0 300.200 2.158 10 0 DEAERO CCCNC(=O)c1cccc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000133017991 196305294 /nfs/dbraw/zinc/30/52/94/196305294.db2.gz HKMSWWOMUSLOKJ-MRXNPFEDSA-N 1 0 317.433 2.041 10 0 DEAERO CCOC(=O)c1csc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000133141633 196315185 /nfs/dbraw/zinc/31/51/85/196315185.db2.gz NRFUEHVRKYDQQS-GFCCVEGCSA-N 1 0 309.435 2.384 10 0 DEAERO CC[C@@H](CSC)NS(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000133235015 196323710 /nfs/dbraw/zinc/32/37/10/196323710.db2.gz XOTWAXHFWDPDCM-AAEUAGOBSA-N 1 0 316.492 2.387 10 0 DEAERO CC(C)n1ncc(Br)c1[C@]1(O)CCC[NH2+]CC1 ZINC000133298412 196328684 /nfs/dbraw/zinc/32/86/84/196328684.db2.gz NPJLNHBGMUNPPT-LBPRGKRZSA-N 1 0 302.216 2.188 10 0 DEAERO CCC[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000133322415 196329401 /nfs/dbraw/zinc/32/94/01/196329401.db2.gz GYJGAGQEEHGAIR-LBPRGKRZSA-N 1 0 318.389 2.118 10 0 DEAERO CCC([NH3+])(CC)CNc1ccccc1S(=O)(=O)NC1CC1 ZINC000133505912 196330079 /nfs/dbraw/zinc/33/00/79/196330079.db2.gz BRRDBQOOCBPCRQ-UHFFFAOYSA-N 1 0 311.451 2.057 10 0 DEAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCCSC)cc1 ZINC000133727428 196332319 /nfs/dbraw/zinc/33/23/19/196332319.db2.gz DSRDPXWJWIDHOI-LBPRGKRZSA-N 1 0 316.492 2.389 10 0 DEAERO C[C@@H]([NH2+]CC(C)(CO)CO)c1ccccc1Br ZINC000133724102 196332541 /nfs/dbraw/zinc/33/25/41/196332541.db2.gz CMYCRVKZVCESEM-SNVBAGLBSA-N 1 0 302.212 2.091 10 0 DEAERO CC(C)[C@H](C[NH3+])C(=O)Nc1cccc(Br)c1O ZINC000133846279 196339961 /nfs/dbraw/zinc/33/99/61/196339961.db2.gz KXVBTOVWJHGFNP-QMMMGPOBSA-N 1 0 301.184 2.324 10 0 DEAERO COc1ccc(C2CC([NH2+]C[C@@H]3CCCS3(=O)=O)C2)cc1 ZINC000133873176 196341922 /nfs/dbraw/zinc/34/19/22/196341922.db2.gz KPEMIWYUTHVIQP-XUJLQICISA-N 1 0 309.431 2.108 10 0 DEAERO Cc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000133909975 196345639 /nfs/dbraw/zinc/34/56/39/196345639.db2.gz GYWFPTITWZWJNS-DZGCQCFKSA-N 1 0 309.431 2.376 10 0 DEAERO Cc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCCS1(=O)=O ZINC000133910368 196345661 /nfs/dbraw/zinc/34/56/61/196345661.db2.gz GYWFPTITWZWJNS-UKRRQHHQSA-N 1 0 309.431 2.376 10 0 DEAERO CC(C)c1cc(C(=O)N2CCS[C@H](C)[C@H]2C)cc(NN)[nH+]1 ZINC000133934554 196347146 /nfs/dbraw/zinc/34/71/46/196347146.db2.gz PZGAQPMTMURAJV-GHMZBOCLSA-N 1 0 308.451 2.457 10 0 DEAERO C[NH2+][C@@H](CC[C@H]1CCCO1)c1c(Cl)cnn1CCOC ZINC000133970126 196350229 /nfs/dbraw/zinc/35/02/29/196350229.db2.gz LVLFZXUYFUDPPY-YPMHNXCESA-N 1 0 301.818 2.403 10 0 DEAERO CCn1ncc(NC[C@H](C)C[NH+]2CCCCC2)c(Cl)c1=O ZINC000134007810 196353330 /nfs/dbraw/zinc/35/33/30/196353330.db2.gz KWCWJPVGOKBSGH-LBPRGKRZSA-N 1 0 312.845 2.451 10 0 DEAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)NCC[S@@](=O)CC)c1 ZINC000134088662 196359985 /nfs/dbraw/zinc/35/99/85/196359985.db2.gz WGCDBDUAWLZNOG-LAJNKCICSA-N 1 0 311.451 2.247 10 0 DEAERO CN(C)[C@H](C[NH2+]CCNC(=O)OC(C)(C)C)c1cccs1 ZINC000134520677 196398123 /nfs/dbraw/zinc/39/81/23/196398123.db2.gz VEHNEBUARBPASY-GFCCVEGCSA-N 1 0 313.467 2.465 10 0 DEAERO C[NH2+][C@H]1CSC[C@H]1c1nc(-c2ccc(OC)c(C)c2)no1 ZINC000134844303 196423011 /nfs/dbraw/zinc/42/30/11/196423011.db2.gz OCAOGONCHHCPND-NEPJUHHUSA-N 1 0 305.403 2.472 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1sccc1Br ZINC000135539875 196484958 /nfs/dbraw/zinc/48/49/58/196484958.db2.gz KLHBJCDHJHANMO-WDEREUQCSA-N 1 0 319.268 2.492 10 0 DEAERO CC[NH2+][C@]1(CO)CC[C@H](Sc2nnc(SC)s2)C1 ZINC000135603673 196492176 /nfs/dbraw/zinc/49/21/76/196492176.db2.gz QUAZDFXHSAFPJZ-GZMMTYOYSA-N 1 0 305.494 2.245 10 0 DEAERO CCOC(=O)c1c(NC(=O)C[C@H]([NH3+])CC)sc2c1CCC2 ZINC000135557629 196487679 /nfs/dbraw/zinc/48/76/79/196487679.db2.gz WUIOHLHZTWXTJU-SECBINFHSA-N 1 0 310.419 2.479 10 0 DEAERO CCC[C@@H]([NH3+])CC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000135949635 196511301 /nfs/dbraw/zinc/51/13/01/196511301.db2.gz OCHSNCRIJBOWAV-SECBINFHSA-N 1 0 310.419 2.479 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000136322537 196532189 /nfs/dbraw/zinc/53/21/89/196532189.db2.gz NUGKSNRNHHZGQZ-SDDRHHMPSA-N 1 0 310.360 2.366 10 0 DEAERO NC(=O)CCC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137112679 196565313 /nfs/dbraw/zinc/56/53/13/196565313.db2.gz LNPOHCVMHMRCGX-UHFFFAOYSA-N 1 0 305.603 2.458 10 0 DEAERO Cc1ccc2c(CC[NH2+][C@H](C)CS(C)(=O)=O)cn(C)c2c1 ZINC000188699574 225030290 /nfs/dbraw/zinc/03/02/90/225030290.db2.gz APOXLRRGWJTEHD-CYBMUJFWSA-N 1 0 308.447 2.052 10 0 DEAERO CO[C@H](C)CCC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190622820 225090327 /nfs/dbraw/zinc/09/03/27/225090327.db2.gz DASGJGGZERTVOH-NVXWUHKLSA-N 1 0 319.449 2.177 10 0 DEAERO C[C@H]([NH2+]CCCC(C)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000297453342 227186073 /nfs/dbraw/zinc/18/60/73/227186073.db2.gz XFYMPMBYGUHPLH-JTQLQIEISA-N 1 0 306.378 2.420 10 0 DEAERO c1cc(OCCCN2CCC3(CC[NH2+]3)CC2)cc2c1OCO2 ZINC000422631750 230160455 /nfs/dbraw/zinc/16/04/55/230160455.db2.gz FVNSLPXBKPRINU-UHFFFAOYSA-N 1 0 304.390 2.012 10 0 DEAERO c1ccc([C@@H]2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)O2)cc1 ZINC000423119716 230356282 /nfs/dbraw/zinc/35/62/82/230356282.db2.gz DINSVBQGIDZOLM-YDZRNGNQSA-N 1 0 316.445 2.263 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCc2cccc(O)c2)CC1 ZINC000194944017 424879472 /nfs/dbraw/zinc/87/94/72/424879472.db2.gz LSMSYKQYVGNFSM-UHFFFAOYSA-N 1 0 305.422 2.313 10 0 DEAERO CC(C)[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000124793251 424855621 /nfs/dbraw/zinc/85/56/21/424855621.db2.gz HMDBFGBMWHYGDZ-YGRLFVJLSA-N 1 0 322.232 2.340 10 0 DEAERO CN(Cc1ccc(Br)cn1)[C@@H]1C[NH+]2CCC1CC2 ZINC000385747487 424911518 /nfs/dbraw/zinc/91/15/18/424911518.db2.gz RATZREKJFGVDBZ-CQSZACIVSA-N 1 0 310.239 2.370 10 0 DEAERO C[C@@H](OCc1ccccc1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000404536564 424928375 /nfs/dbraw/zinc/92/83/75/424928375.db2.gz HDWMLTYESAKGPV-HFTRVMKXSA-N 1 0 302.418 2.179 10 0 DEAERO CC(C)[C@@](C)(C[NH3+])NC(=O)c1nscc1Br ZINC000404827285 424929548 /nfs/dbraw/zinc/92/95/48/424929548.db2.gz WAHGTRVZOLGVDS-SNVBAGLBSA-N 1 0 306.229 2.009 10 0 DEAERO CC[N@H+](C)C[C@@H](O)CN[C@H](C)c1cccc(Br)c1 ZINC000310733490 424895380 /nfs/dbraw/zinc/89/53/80/424895380.db2.gz FOMWXYLMADTYLK-RISCZKNCSA-N 1 0 315.255 2.412 10 0 DEAERO Cc1cccnc1CC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000657481232 425345888 /nfs/dbraw/zinc/34/58/88/425345888.db2.gz LQPZPAKPUAGFKY-MAUKXSAKSA-N 1 0 314.433 2.424 10 0 DEAERO C[C@H](O)C[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000228081243 268578470 /nfs/dbraw/zinc/57/84/70/268578470.db2.gz CJELGZMMJOHFSY-IHRRRGAJSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCOC2(C1)CCCCCC2 ZINC000333658581 268972018 /nfs/dbraw/zinc/97/20/18/268972018.db2.gz LDYKWQHWQAYISR-CABCVRRESA-N 1 0 309.454 2.119 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)no1 ZINC000333697244 268978642 /nfs/dbraw/zinc/97/86/42/268978642.db2.gz QJPBVEHKMKTLHU-XQQFMLRXSA-N 1 0 321.425 2.038 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(OC2CCCC2)CC1 ZINC000333710378 268981171 /nfs/dbraw/zinc/98/11/71/268981171.db2.gz SGEJLJHQOKUGQX-XJKSGUPXSA-N 1 0 309.454 2.118 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000333715436 268981905 /nfs/dbraw/zinc/98/19/05/268981905.db2.gz SXYIWGAAHSQNNF-AGIUHOORSA-N 1 0 308.451 2.378 10 0 DEAERO Cc1nn(-c2ccccc2)cc1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333867854 268999395 /nfs/dbraw/zinc/99/93/95/268999395.db2.gz UAUFSNDIWLSFLK-UHFFFAOYSA-N 1 0 310.401 2.149 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3cncc(OC4CCCCC4)n3)C[C@@H]12 ZINC000333926049 269004812 /nfs/dbraw/zinc/00/48/12/269004812.db2.gz VCKVHBILOOMSDA-BPLDGKMQSA-N 1 0 302.422 2.362 10 0 DEAERO O=C(Nc1ccc2c(c1)OCO2)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333931724 269005903 /nfs/dbraw/zinc/00/59/03/269005903.db2.gz GFQWYPOYHLBZMW-CQSZACIVSA-N 1 0 317.389 2.411 10 0 DEAERO Cc1nc(-c2ccccc2NC(=O)N2CC[C@H]([NH+](C)C)C2)no1 ZINC000363470144 269064752 /nfs/dbraw/zinc/06/47/52/269064752.db2.gz KUDWDYZXIXYXMF-LBPRGKRZSA-N 1 0 315.377 2.213 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000396727986 269104082 /nfs/dbraw/zinc/10/40/82/269104082.db2.gz NJNWKHUHSKJMGB-VIFPVBQESA-N 1 0 301.184 2.127 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(C)s1 ZINC000397289550 269105577 /nfs/dbraw/zinc/10/55/77/269105577.db2.gz WIBZGGNAQVIGKT-NRUUGDAUSA-N 1 0 316.492 2.359 10 0 DEAERO c1ccc(N2CCOCC2)c(C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000527736756 269539296 /nfs/dbraw/zinc/53/92/96/269539296.db2.gz GMFMDTRFLYPHEX-INIZCTEOSA-N 1 0 304.434 2.430 10 0 DEAERO C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)C(C)(C)n1cncn1 ZINC000375059775 274252671 /nfs/dbraw/zinc/25/26/71/274252671.db2.gz SDJNYWVRJLUEBO-CQSZACIVSA-N 1 0 310.405 2.377 10 0 DEAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000154921338 274292806 /nfs/dbraw/zinc/29/28/06/274292806.db2.gz TUEBDLUINQROLE-CYBMUJFWSA-N 1 0 312.417 2.376 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N2CCc3ccccc32)C1 ZINC000187958523 274319011 /nfs/dbraw/zinc/31/90/11/274319011.db2.gz UYHDTIQKFZNVBK-KDOFPFPSSA-N 1 0 302.418 2.059 10 0 DEAERO C[C@@H]1CN(c2ccnc3cc(Br)cnc32)C[C@@H]1[NH3+] ZINC000235387578 274366210 /nfs/dbraw/zinc/36/62/10/274366210.db2.gz JUDFOSCANYGAFN-SCZZXKLOSA-N 1 0 307.195 2.176 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@@H]1OCCc2ccccc21 ZINC000246909257 274375076 /nfs/dbraw/zinc/37/50/76/274375076.db2.gz VQTXFKQNJSQCNZ-HFTRVMKXSA-N 1 0 314.429 2.386 10 0 DEAERO Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)C[NH+](C)C ZINC000357602696 274789313 /nfs/dbraw/zinc/78/93/13/274789313.db2.gz XTLDBEXSJIPBEH-CYBMUJFWSA-N 1 0 305.422 2.123 10 0 DEAERO O=C1[C@H]([N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)CCN1c1ccccc1 ZINC000246867009 275029846 /nfs/dbraw/zinc/02/98/46/275029846.db2.gz UNBKOWTZPXTSPV-OIISXLGYSA-N 1 0 300.402 2.293 10 0 DEAERO O=c1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)nc2ccccn12 ZINC000150892057 275043878 /nfs/dbraw/zinc/04/38/78/275043878.db2.gz UHCODCZWFOTTEP-HNNXBMFYSA-N 1 0 312.417 2.149 10 0 DEAERO c1ccc(OCCOCC[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000362959636 275067886 /nfs/dbraw/zinc/06/78/86/275067886.db2.gz BUPOMMCRTNYVFS-IAGOWNOFSA-N 1 0 323.458 2.288 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ncccc1Br ZINC000193250216 276118175 /nfs/dbraw/zinc/11/81/75/276118175.db2.gz LIUZQGPGWSCRCJ-SNVBAGLBSA-N 1 0 314.227 2.304 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1OCCc2ccccc21 ZINC000246344886 276169189 /nfs/dbraw/zinc/16/91/89/276169189.db2.gz VECAGOCHGDJJLR-NVXWUHKLSA-N 1 0 302.418 2.243 10 0 DEAERO CCNC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)nc1 ZINC000154928763 276263683 /nfs/dbraw/zinc/26/36/83/276263683.db2.gz JVZJZKFXOZDUNR-CQSZACIVSA-N 1 0 316.449 2.284 10 0 DEAERO C[N@H+]([C@@H]1Cc2ccccc2[C@H]1O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000245858121 277001922 /nfs/dbraw/zinc/00/19/22/277001922.db2.gz OCHLGCZJIPSXIL-SZVBFZGTSA-N 1 0 324.428 2.036 10 0 DEAERO COc1ccc(-c2nc(CN3CC[N@H+](C)[C@H](C)[C@H]3C)no2)cc1 ZINC000357043045 277397017 /nfs/dbraw/zinc/39/70/17/277397017.db2.gz SLPREGYCEOFNFC-CHWSQXEVSA-N 1 0 316.405 2.270 10 0 DEAERO COC1([C@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)CCOCC1 ZINC000453106895 277473693 /nfs/dbraw/zinc/47/36/93/277473693.db2.gz JNGZRTINLRZWTM-AWEZNQCLSA-N 1 0 320.433 2.361 10 0 DEAERO C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000262364125 287967582 /nfs/dbraw/zinc/96/75/82/287967582.db2.gz WRARHJYEHMIZPK-SIXLDLHFSA-N 1 0 302.418 2.350 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+]C2CCN(C)CC2)c2ccc(F)cc2C1 ZINC000184533956 278052200 /nfs/dbraw/zinc/05/22/00/278052200.db2.gz WCHGWAAAKWSOKE-GOSISDBHSA-N 1 0 319.424 2.303 10 0 DEAERO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[N@@H+](C2CC2)CC1 ZINC000246107060 278213061 /nfs/dbraw/zinc/21/30/61/278213061.db2.gz DGELBGVHSYFXOK-CBZIJGRNSA-N 1 0 321.509 2.486 10 0 DEAERO CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412059680 278238710 /nfs/dbraw/zinc/23/87/10/278238710.db2.gz CWHAVBUSRAWIFF-RHSMWYFYSA-N 1 0 313.438 2.160 10 0 DEAERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188975313 278286387 /nfs/dbraw/zinc/28/63/87/278286387.db2.gz ZFFMNLHNSBNKSS-KRWDZBQOSA-N 1 0 324.428 2.499 10 0 DEAERO CC1(C)CN(C(=O)CCn2cnc3ccccc32)CC[C@@H]1[NH3+] ZINC000262190910 278298363 /nfs/dbraw/zinc/29/83/63/278298363.db2.gz ZPPPHKZBTUIWTF-HNNXBMFYSA-N 1 0 300.406 2.012 10 0 DEAERO CC(C)(C)C1CCC(O)(C[NH2+]C2CCS(=O)(=O)CC2)CC1 ZINC000408239932 278302287 /nfs/dbraw/zinc/30/22/87/278302287.db2.gz HGASPQWSZNEYBI-UHFFFAOYSA-N 1 0 317.495 2.121 10 0 DEAERO CCC[C@H](C(=O)NC[C@@H]1COC2(CCC(C)CC2)O1)[NH+](C)C ZINC000180871412 278921748 /nfs/dbraw/zinc/92/17/48/278921748.db2.gz KYJSIJLLIJMJCD-GYMHETDLSA-N 1 0 312.454 2.155 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000189076027 279040658 /nfs/dbraw/zinc/04/06/58/279040658.db2.gz HDZNEQFKFRAUIL-MAZHCROVSA-N 1 0 308.397 2.360 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1nc2cccnc2s1 ZINC000193885200 279133258 /nfs/dbraw/zinc/13/32/58/279133258.db2.gz PMIZBHZTJZLUBB-LLVKDONJSA-N 1 0 306.435 2.397 10 0 DEAERO CC(C)C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248130097 279170503 /nfs/dbraw/zinc/17/05/03/279170503.db2.gz WJNBCAVPDYVXES-ZACQAIPSSA-N 1 0 319.449 2.138 10 0 DEAERO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCCN1C ZINC000154511053 279247810 /nfs/dbraw/zinc/24/78/10/279247810.db2.gz JFYHTGGJAULTEK-NEPJUHHUSA-N 1 0 310.829 2.136 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246780522 279271206 /nfs/dbraw/zinc/27/12/06/279271206.db2.gz QTWMJXCJZGSUGK-ARFHVFGLSA-N 1 0 309.454 2.071 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC000177017817 279301022 /nfs/dbraw/zinc/30/10/22/279301022.db2.gz NLQPXEOICMMPSY-VBQJREDUSA-N 1 0 318.417 2.158 10 0 DEAERO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000191285939 279639930 /nfs/dbraw/zinc/63/99/30/279639930.db2.gz QJWIGPLBNUGTGG-QWRGUYRKSA-N 1 0 321.808 2.082 10 0 DEAERO CC(C)[C@H](O)CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000153511237 280347456 /nfs/dbraw/zinc/34/74/56/280347456.db2.gz SZGHBQAVGMSZLF-IAGOWNOFSA-N 1 0 319.449 2.140 10 0 DEAERO 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CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](O)c1cc2ccccc2s1 ZINC000237075890 636371579 /nfs/dbraw/zinc/37/15/79/636371579.db2.gz CQZKQVFCJLYWHX-JVLSTEMRSA-N 1 0 306.431 2.424 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=S)Nc2ccc(OC)c(F)c2)C1 ZINC000726469123 636434103 /nfs/dbraw/zinc/43/41/03/636434103.db2.gz MZOMXAWLPMDVQE-NSHDSACASA-N 1 0 311.426 2.463 10 0 DEAERO CN(Cc1ccsc1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000228894781 636839419 /nfs/dbraw/zinc/83/94/19/636839419.db2.gz ZSIHJDINZZTBLY-HEHGZKQESA-N 1 0 308.447 2.239 10 0 DEAERO COc1ccc(OC)c([C@@H](C)NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000237260787 637972866 /nfs/dbraw/zinc/97/28/66/637972866.db2.gz MYAVIWVWZWFMIQ-GFCCVEGCSA-N 1 0 306.406 2.400 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2nc(C)n3ccccc23)CC1 ZINC000742098719 638036210 /nfs/dbraw/zinc/03/62/10/638036210.db2.gz YFBQFJSPMQZIOY-UHFFFAOYSA-N 1 0 314.433 2.495 10 0 DEAERO Cn1nccc1/C=C\C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000742789635 638096759 /nfs/dbraw/zinc/09/67/59/638096759.db2.gz BGMHRDUGXOMOFG-GIFJBRJJSA-N 1 0 324.428 2.166 10 0 DEAERO OCCC1(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000097818025 638497448 /nfs/dbraw/zinc/49/74/48/638497448.db2.gz XUQQLWPWKFAHTL-CYBMUJFWSA-N 1 0 303.324 2.491 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000751435948 639081088 /nfs/dbraw/zinc/08/10/88/639081088.db2.gz PYXWRSLYFZRPEC-DLBZAZTESA-N 1 0 324.465 2.047 10 0 DEAERO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)CC(F)(F)F ZINC000526058726 639569199 /nfs/dbraw/zinc/56/91/99/639569199.db2.gz MFVOLDIMRJJLPM-LLVKDONJSA-N 1 0 305.296 2.203 10 0 DEAERO C[C@]1(CNC(=O)c2cnsn2)CCC[N@@H+]1Cc1ccccc1 ZINC000163399410 640314678 /nfs/dbraw/zinc/31/46/78/640314678.db2.gz LEWWKYNQFZRQND-MRXNPFEDSA-N 1 0 316.430 2.323 10 0 DEAERO C[S@](=O)c1ccc(CNC(=[NH2+])NCCc2cccs2)cc1 ZINC000079918022 640533689 /nfs/dbraw/zinc/53/36/89/640533689.db2.gz XKIIZBGGOHFYQA-OAQYLSRUSA-N 1 0 321.471 2.133 10 0 DEAERO CCON1CCC([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000323441528 641525688 /nfs/dbraw/zinc/52/56/88/641525688.db2.gz CUZMODUOXQVJQH-CYBMUJFWSA-N 1 0 315.458 2.295 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000800739599 645301910 /nfs/dbraw/zinc/30/19/10/645301910.db2.gz QYZHIYRQTPVHFE-BLLLJJGKSA-N 1 0 321.852 2.400 10 0 DEAERO C[N@H+](Cc1ccc([Si](C)(C)C)cc1)CC1(O)CCOCC1 ZINC000801946845 645467406 /nfs/dbraw/zinc/46/74/06/645467406.db2.gz PLOQKURWPZZIOB-UHFFFAOYSA-N 1 0 307.510 2.205 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)c1ccc(CC)cc1 ZINC000804156946 645733266 /nfs/dbraw/zinc/73/32/66/645733266.db2.gz XPSPLCUOCBNLAH-DLBZAZTESA-N 1 0 304.434 2.273 10 0 DEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(F)c(Br)c1 ZINC000757184297 645937761 /nfs/dbraw/zinc/93/77/61/645937761.db2.gz KNDHBWZCVXKTTB-UWVGGRQHSA-N 1 0 316.170 2.454 10 0 DEAERO COc1ccc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)c(OC)c1 ZINC000757183825 645938010 /nfs/dbraw/zinc/93/80/10/645938010.db2.gz HKWSXIVOHLSSKU-ZIAGYGMSSA-N 1 0 307.390 2.349 10 0 DEAERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(-c2ccc(F)cc2)on1 ZINC000222550598 646452821 /nfs/dbraw/zinc/45/28/21/646452821.db2.gz ZRARMAVFPJBBJN-HNNXBMFYSA-N 1 0 315.348 2.305 10 0 DEAERO COC(=O)c1cn(C[N@@H+]2CCC[C@H]2CC2CCCCC2)nn1 ZINC000057823041 646523888 /nfs/dbraw/zinc/52/38/88/646523888.db2.gz JGDREFOISPEEHC-AWEZNQCLSA-N 1 0 306.410 2.457 10 0 DEAERO [NH3+][C@@H]1CC[C@H](CNc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000227644320 646604413 /nfs/dbraw/zinc/60/44/13/646604413.db2.gz LNNSLCANGYFICJ-VHSXEESVSA-N 1 0 304.362 2.222 10 0 DEAERO COc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cn1 ZINC000227756724 646606551 /nfs/dbraw/zinc/60/65/51/646606551.db2.gz GEOSBZHAHPOHLA-AATRIKPKSA-N 1 0 307.394 2.261 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000075684710 646642583 /nfs/dbraw/zinc/64/25/83/646642583.db2.gz IKMPMDVATVNNJM-KRWDZBQOSA-N 1 0 305.418 2.422 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]CC1CC(O)C1 ZINC000229838862 646704460 /nfs/dbraw/zinc/70/44/60/646704460.db2.gz SWVPCVVCEHWARG-HXSCFSKGSA-N 1 0 312.454 2.430 10 0 DEAERO S=c1n(CN2CC[N@@H+]3CCC[C@@H]3C2)nc(C2CC2)n1C1CC1 ZINC000172503882 646740395 /nfs/dbraw/zinc/74/03/95/646740395.db2.gz MXHOZRSCGZBDTF-CQSZACIVSA-N 1 0 319.478 2.364 10 0 DEAERO CC(C)C[C@H](CO)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000232624063 646815974 /nfs/dbraw/zinc/81/59/74/646815974.db2.gz GDHLBAKWIOFKMC-ZIAGYGMSSA-N 1 0 300.443 2.383 10 0 DEAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCCN(C)C1 ZINC000230942134 646901205 /nfs/dbraw/zinc/90/12/05/646901205.db2.gz GNQPHTPJHXAUDI-LSDHHAIUSA-N 1 0 313.486 2.467 10 0 DEAERO CN(C(=O)C1=COCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732006731 647533481 /nfs/dbraw/zinc/53/34/81/647533481.db2.gz UCSCOLLUIIITEI-UHFFFAOYSA-N 1 0 304.390 2.284 10 0 DEAERO CCCCOC(=O)CCN1CCN(CC(F)F)[C@H](CC)C1 ZINC000153663622 647595038 /nfs/dbraw/zinc/59/50/38/647595038.db2.gz IDBMNYAGBODWFP-CYBMUJFWSA-N 1 0 306.397 2.381 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1csc(-c2ccccn2)n1 ZINC000733162174 647895120 /nfs/dbraw/zinc/89/51/20/647895120.db2.gz UGVFPELHKFGUMO-UHFFFAOYSA-N 1 0 304.419 2.277 10 0 DEAERO CCOC(=O)C1(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000181114556 648552734 /nfs/dbraw/zinc/55/27/34/648552734.db2.gz DBEPSTKFTCGWDH-HNNXBMFYSA-N 1 0 317.385 2.147 10 0 DEAERO CC(C)[C@H]([NH3+])CNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000070463615 648932835 /nfs/dbraw/zinc/93/28/35/648932835.db2.gz GMGBHUGJMQMYPB-LLVKDONJSA-N 1 0 310.341 2.375 10 0 DEAERO COc1ccc2c(C[NH2+][C@@H](C)[C@@H]3CCCO3)cc(=O)oc2c1 ZINC000183112263 649039401 /nfs/dbraw/zinc/03/94/01/649039401.db2.gz HTDZQVHKHYDSLU-NHYWBVRUSA-N 1 0 303.358 2.459 10 0 DEAERO Cn1cc(CC(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000183174744 649044324 /nfs/dbraw/zinc/04/43/24/649044324.db2.gz OJPAWAUUPJIVFA-KRWDZBQOSA-N 1 0 313.401 2.170 10 0 DEAERO CC[C@@H]1C[C@@H](C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC000183258812 649053055 /nfs/dbraw/zinc/05/30/55/649053055.db2.gz DWYJBYUQRYTOGT-XHSDSOJGSA-N 1 0 313.438 2.092 10 0 DEAERO C=CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000184273210 649253065 /nfs/dbraw/zinc/25/30/65/649253065.db2.gz VZXLSTAXGFXYGL-NSHDSACASA-N 1 0 316.195 2.190 10 0 DEAERO Cc1noc([C@]2(O)CC[N@H+](CCc3ccc(Cl)cc3)C2)n1 ZINC000829243770 649286926 /nfs/dbraw/zinc/28/69/26/649286926.db2.gz KBHKJTNOHWSKJJ-HNNXBMFYSA-N 1 0 307.781 2.167 10 0 DEAERO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1O ZINC000184680364 649344734 /nfs/dbraw/zinc/34/47/34/649344734.db2.gz QLPIIUXKAMHEER-UWVGGRQHSA-N 1 0 312.797 2.140 10 0 DEAERO CCOCCONC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185764222 649609982 /nfs/dbraw/zinc/60/99/82/649609982.db2.gz MFFWKBSCHANGJD-UHFFFAOYSA-N 1 0 321.421 2.050 10 0 DEAERO N#Cc1sc(NC[C@H]2[NH2+]CCc3ccccc32)nc1Cl ZINC000380315430 685396467 /nfs/dbraw/zinc/39/64/67/685396467.db2.gz JAQJLFFLRLBXHU-LLVKDONJSA-N 1 0 304.806 2.389 10 0 DEAERO COCC[C@H](COC)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000382061953 685402906 /nfs/dbraw/zinc/40/29/06/685402906.db2.gz PVOBOCIWJXGAEV-JQHSSLGASA-N 1 0 306.450 2.291 10 0 DEAERO CCOCCCNC(=S)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381049361 685399081 /nfs/dbraw/zinc/39/90/81/685399081.db2.gz GRIIJZJEXQHQKJ-HNNXBMFYSA-N 1 0 323.506 2.398 10 0 DEAERO C[C@H]1CCN(c2ncc(C=O)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000382640482 685404276 /nfs/dbraw/zinc/40/42/76/685404276.db2.gz BSTAPROKLXCZGD-HNNXBMFYSA-N 1 0 310.401 2.390 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1cnc(CO)cn1 ZINC000382659436 685405651 /nfs/dbraw/zinc/40/56/51/685405651.db2.gz PFLJDPHXIWATJG-OAHLLOKOSA-N 1 0 312.417 2.070 10 0 DEAERO CC(C)C[C@@H](CNCc1nc(Br)c[nH]1)[NH+](C)C ZINC000383342948 685407772 /nfs/dbraw/zinc/40/77/72/685407772.db2.gz XYQCWLZSOFVIBA-JTQLQIEISA-N 1 0 303.248 2.238 10 0 DEAERO CO[C@H]1CCC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000383592336 685408296 /nfs/dbraw/zinc/40/82/96/685408296.db2.gz OEDOFMPYSHPFKK-NEPJUHHUSA-N 1 0 302.216 2.193 10 0 DEAERO C[N@H+](CCNCc1nc(Br)c[nH]1)Cc1ccccc1 ZINC000386728541 685419071 /nfs/dbraw/zinc/41/90/71/685419071.db2.gz ARKOQCAZGIITSW-UHFFFAOYSA-N 1 0 323.238 2.394 10 0 DEAERO Brc1c[nH]c(C[NH2+][C@@H]2COc3ccccc3C2)n1 ZINC000385558991 685413936 /nfs/dbraw/zinc/41/39/36/685413936.db2.gz ZBPMGFADCGITEY-JTQLQIEISA-N 1 0 308.179 2.266 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1sc(C)cc1C ZINC000389084168 685431984 /nfs/dbraw/zinc/43/19/84/685431984.db2.gz DYHMDYSKKDVQQK-GFCCVEGCSA-N 1 0 302.465 2.128 10 0 DEAERO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cn(C)nn1 ZINC000389816188 685436244 /nfs/dbraw/zinc/43/62/44/685436244.db2.gz PXYSLVUZLYBGTA-TZMCWYRMSA-N 1 0 323.441 2.083 10 0 DEAERO C[C@H]1[C@H]([NH2+]CCc2cn(C)cn2)CCCN1C(=O)OC(C)(C)C ZINC000396679475 685462584 /nfs/dbraw/zinc/46/25/84/685462584.db2.gz VBOWQIQBHRXAAX-DZGCQCFKSA-N 1 0 322.453 2.340 10 0 DEAERO CC(C)(CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000037853727 683884218 /nfs/dbraw/zinc/88/42/18/683884218.db2.gz HEPZLVNAOUUNJK-SECBINFHSA-N 1 0 308.205 2.094 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000093988343 684052086 /nfs/dbraw/zinc/05/20/86/684052086.db2.gz DICQZVRCZNEMOO-JKSUJKDBSA-N 1 0 315.417 2.248 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)COc1cccc(C=O)c1 ZINC000119514955 684082672 /nfs/dbraw/zinc/08/26/72/684082672.db2.gz FWNZVWDIPMWGID-MRXNPFEDSA-N 1 0 318.417 2.115 10 0 DEAERO CC[C@@H]1CN(c2ccccc2S(=O)(=O)C(F)F)CC[C@@H]1[NH3+] ZINC000123015740 684121782 /nfs/dbraw/zinc/12/17/82/684121782.db2.gz BOLGKQUMMJWDII-MNOVXSKESA-N 1 0 318.389 2.247 10 0 DEAERO CCO[C@H](C)c1nc(CN(C)CCC2OCCO2)cs1 ZINC000124449548 684135362 /nfs/dbraw/zinc/13/53/62/684135362.db2.gz DJNBDQWZGYDDAJ-LLVKDONJSA-N 1 0 300.424 2.435 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)COc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000124507089 684135387 /nfs/dbraw/zinc/13/53/87/684135387.db2.gz BWJDCRYKNPINFH-WMLDXEAASA-N 1 0 316.445 2.495 10 0 DEAERO CCCNC(=O)c1ccc(Cl)cc1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000128055011 684168324 /nfs/dbraw/zinc/16/83/24/684168324.db2.gz XJHHMZQWVCMZQU-LLVKDONJSA-N 1 0 323.824 2.418 10 0 DEAERO S=c1oc(-c2ccncc2)nn1CN1CC[NH+](C2CC2)CC1 ZINC000129097790 684176384 /nfs/dbraw/zinc/17/63/84/684176384.db2.gz YXKYOKTVMSNJNB-UHFFFAOYSA-N 1 0 317.418 2.005 10 0 DEAERO O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000130137633 684185631 /nfs/dbraw/zinc/18/56/31/684185631.db2.gz BIMIJDIQKDPUOW-XIRDDKMYSA-N 1 0 302.418 2.101 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)COC2CCCCC2)C1 ZINC000130817920 684193394 /nfs/dbraw/zinc/19/33/94/684193394.db2.gz BVXJDUBZSKQBCF-MRXNPFEDSA-N 1 0 313.438 2.236 10 0 DEAERO CNc1ncc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)s1 ZINC000137403272 684243989 /nfs/dbraw/zinc/24/39/89/684243989.db2.gz MYUPWWJBCONKDF-ZDUSSCGKSA-N 1 0 318.446 2.088 10 0 DEAERO COC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)C1CCOCC1 ZINC000187721326 684342107 /nfs/dbraw/zinc/34/21/07/684342107.db2.gz WRPRMKDUENMUNN-HOTGVXAUSA-N 1 0 313.825 2.405 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(CN2Cc3ccc(OC)cc3C2=O)C1 ZINC000189746554 684387724 /nfs/dbraw/zinc/38/77/24/684387724.db2.gz 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CC[C@H](C[C@@H](C)O)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000716855360 793010227 /nfs/dbraw/zinc/01/02/27/793010227.db2.gz WMACLXHLBSSNGF-NELGMTEASA-N 1 0 300.443 2.429 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)[C@@H](C)C[NH2+]1 ZINC000212554570 799235763 /nfs/dbraw/zinc/23/57/63/799235763.db2.gz KKXUUNSXJOKVHL-WZIXFXTNSA-N 1 0 314.838 2.323 10 0 DEAERO c1cn(-c2ccccc2)nc1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000091060972 801486530 /nfs/dbraw/zinc/48/65/30/801486530.db2.gz FXBGWBRKXBEDOR-INIZCTEOSA-N 1 0 315.417 2.405 10 0 DEAERO C[C@H]([NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccco1 ZINC000178382723 801678451 /nfs/dbraw/zinc/67/84/51/801678451.db2.gz NKHBAUOMJHKNDK-APPDUMDISA-N 1 0 313.357 2.185 10 0 DEAERO C[C@H]([NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)C(C)(C)O ZINC000401778240 801849630 /nfs/dbraw/zinc/84/96/30/801849630.db2.gz OPMJCHBGJKREGH-AGIUHOORSA-N 1 0 300.443 2.381 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C2CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401786737 801852342 /nfs/dbraw/zinc/85/23/42/801852342.db2.gz ABRXVARYHVNWHD-MRRJBJDNSA-N 1 0 312.454 2.383 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2ncc[nH]2)C12CCC2 ZINC000404593329 802025587 /nfs/dbraw/zinc/02/55/87/802025587.db2.gz YZNCHPNRSKIIIR-RYUDHWBXSA-N 1 0 306.410 2.335 10 0 DEAERO C[C@H](C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2)N(C)C ZINC000405259809 802046115 /nfs/dbraw/zinc/04/61/15/802046115.db2.gz MOQRENLTRCPJEV-MGPQQGTHSA-N 1 0 311.470 2.362 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000725075630 1078801633 /nfs/dbraw/zinc/80/16/33/1078801633.db2.gz XGLBJPRXSOOSBC-LBPRGKRZSA-N 1 0 302.465 2.257 10 0 DEAERO COc1cc(C[NH2+]CCc2ccccn2)cc2c1OCCO2 ZINC000060815791 1078877810 /nfs/dbraw/zinc/87/78/10/1078877810.db2.gz GCCDRCHAFAXPDZ-UHFFFAOYSA-N 1 0 300.358 2.194 10 0 DEAERO NC(=O)c1cccc(C[NH2+]Cc2ccc(C3OCCO3)cc2)c1 ZINC000074372114 1080207873 /nfs/dbraw/zinc/20/78/73/1080207873.db2.gz VQIWEOHIPZFUKK-UHFFFAOYSA-N 1 0 312.369 2.121 10 0 DEAERO CC(C)(CCS(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C1CC1 ZINC000717912285 1081751427 /nfs/dbraw/zinc/75/14/27/1081751427.db2.gz VINPMWOLIBFIAV-MQMHXKEQSA-N 1 0 302.484 2.250 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089091986 1081898773 /nfs/dbraw/zinc/89/87/73/1081898773.db2.gz QDJOIJLMHZFAKE-PWSUYJOCSA-N 1 0 302.827 2.054 10 0 DEAERO CC(C)C[NH2+]CCN(C)C(=O)c1coc(Br)c1 ZINC000722038611 1084157601 /nfs/dbraw/zinc/15/76/01/1084157601.db2.gz YSVVYMTZZLGVMA-UHFFFAOYSA-N 1 0 303.200 2.360 10 0 DEAERO O=C(Nc1cc(Br)ccc1F)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721008611 1085507550 /nfs/dbraw/zinc/50/75/50/1085507550.db2.gz NEXXCOAGADEJDC-VDDIYKPWSA-N 1 0 313.170 2.382 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccncc1Br ZINC000720831074 1086193555 /nfs/dbraw/zinc/19/35/55/1086193555.db2.gz SBQWAQIFNXHVIA-STQMWFEESA-N 1 0 324.222 2.153 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1[NH3+] ZINC000720838942 1086196261 /nfs/dbraw/zinc/19/62/61/1086196261.db2.gz ZQFQJAUDHHHKQP-NSHDSACASA-N 1 0 323.245 2.351 10 0 DEAERO [NH3+][C@@H]1CN(CCCOCc2ccccc2)C[C@H]1C(F)(F)F ZINC000720855310 1086299201 /nfs/dbraw/zinc/29/92/01/1086299201.db2.gz LYOHSVPKQGJADF-ZIAGYGMSSA-N 1 0 302.340 2.415 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000700757122 1086332020 /nfs/dbraw/zinc/33/20/20/1086332020.db2.gz JPJKTUJIMUQLTF-GZMMTYOYSA-N 1 0 308.325 2.142 10 0 DEAERO C[C@@H]1OC[C@@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)[C@@H]1C ZINC000701932868 1086394709 /nfs/dbraw/zinc/39/47/09/1086394709.db2.gz ZWPMMSQEOQFPAY-KCNXFKOVSA-N 1 0 310.438 2.399 10 0 DEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc(Cl)c(Cl)[nH]1)C2 ZINC000702409806 1086432367 /nfs/dbraw/zinc/43/23/67/1086432367.db2.gz PDFWWEKCWPCAEA-BETUJISGSA-N 1 0 302.205 2.393 10 0 DEAERO C[C@H](O)[C@H](C)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000702598292 1086443829 /nfs/dbraw/zinc/44/38/29/1086443829.db2.gz DOCMTBXWSFUJOE-STQMWFEESA-N 1 0 300.443 2.383 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)CO1 ZINC000703399148 1086498505 /nfs/dbraw/zinc/49/85/05/1086498505.db2.gz OXGPCRLKSIFDQR-NWDGAFQWSA-N 1 0 300.399 2.085 10 0 DEAERO Brc1ccccc1-c1noc([C@@H]2C[NH2+]CCOC2)n1 ZINC000703943941 1086566378 /nfs/dbraw/zinc/56/63/78/1086566378.db2.gz FDTMPKPHJBNRFC-SECBINFHSA-N 1 0 324.178 2.203 10 0 DEAERO C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000706641974 1086643233 /nfs/dbraw/zinc/64/32/33/1086643233.db2.gz FMQCXAYLLXIZDO-KBPBESRZSA-N 1 0 316.442 2.027 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000708405065 1086678033 /nfs/dbraw/zinc/67/80/33/1086678033.db2.gz SGPONYRGPSKLMI-VIFPVBQESA-N 1 0 302.216 2.087 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000710906659 1086690312 /nfs/dbraw/zinc/69/03/12/1086690312.db2.gz PQRJQHOGMKGKIB-OLZOCXBDSA-N 1 0 314.426 2.127 10 0 DEAERO C[C@@H](CO)CCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711494605 1087136923 /nfs/dbraw/zinc/13/69/23/1087136923.db2.gz ZMCZYBOWKRRTJY-MCIONIFRSA-N 1 0 300.443 2.288 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cc[nH]n3)CCC[C@H]12 ZINC000711619268 1087176644 /nfs/dbraw/zinc/17/66/44/1087176644.db2.gz VEJXMRORJVOARR-XJKSGUPXSA-N 1 0 306.410 2.431 10 0 DEAERO Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](C4OCCO4)C3)o2)cc1 ZINC000719021564 1088763590 /nfs/dbraw/zinc/76/35/90/1088763590.db2.gz IOBJDNFWPFRIMA-CQSZACIVSA-N 1 0 315.373 2.240 10 0 DEAERO CO[C@]1(C[NH2+]Cc2ccc(Br)cn2)CCSC1 ZINC000719316265 1088934719 /nfs/dbraw/zinc/93/47/19/1088934719.db2.gz MWMQMSGDHQMWSK-LBPRGKRZSA-N 1 0 317.252 2.456 10 0 DEAERO CO[C@@]1(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)CCSC1 ZINC000719322428 1088952299 /nfs/dbraw/zinc/95/22/99/1088952299.db2.gz DCEQTLRKAUNTQO-UONOGXRCSA-N 1 0 303.374 2.110 10 0 DEAERO C[C@H]1[C@@H](NC(=O)c2cc(Br)ccc2F)CC[N@@H+]1C ZINC000719388443 1089070830 /nfs/dbraw/zinc/07/08/30/1089070830.db2.gz QGTQGMDXEAHDMH-UFBFGSQYSA-N 1 0 315.186 2.411 10 0 DEAERO C[C@H]1[C@@H](NC(=O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000719384331 1089077947 /nfs/dbraw/zinc/07/79/47/1089077947.db2.gz CUCAITFCPATXBO-UFBFGSQYSA-N 1 0 315.186 2.411 10 0 DEAERO C[C@H]1[C@@H](NC(=O)c2cc(Cl)c(N)c(Cl)c2)CC[N@@H+]1C ZINC000719391752 1089081492 /nfs/dbraw/zinc/08/14/92/1089081492.db2.gz IRFRERKUNJPENT-CPCISQLKSA-N 1 0 302.205 2.398 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CCN1C ZINC000719569989 1089305396 /nfs/dbraw/zinc/30/53/96/1089305396.db2.gz MOUOSMNCBWRMQN-APIJFGDWSA-N 1 0 311.470 2.457 10 0 DEAERO COC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000720237901 1089537694 /nfs/dbraw/zinc/53/76/94/1089537694.db2.gz XENHKWCHIXRFRW-DGCLKSJQSA-N 1 0 301.814 2.483 10 0 DEAERO Cc1cccc(N2CCN(C(=O)C[NH+]3CCCCC3)CC2)c1C ZINC000074693565 185009855 /nfs/dbraw/zinc/00/98/55/185009855.db2.gz CLQGBOODENXBAK-UHFFFAOYSA-N 1 0 315.461 2.438 10 0 DEAERO CC[NH2+][C@H](CSCCS(C)(=O)=O)c1ccc(C)cc1 ZINC000081769100 192322383 /nfs/dbraw/zinc/32/23/83/192322383.db2.gz WGJJWCGHUQCTAZ-CQSZACIVSA-N 1 0 301.477 2.423 10 0 DEAERO CCCn1c(S[C@H]2CCc3ccccc3[C@@H]2[NH3+])n[nH]c1=O ZINC000081879223 192332848 /nfs/dbraw/zinc/33/28/48/192332848.db2.gz KJWIESKPPNXLBB-STQMWFEESA-N 1 0 304.419 2.088 10 0 DEAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1Sc1nncn1C ZINC000081867079 192332943 /nfs/dbraw/zinc/33/29/43/192332943.db2.gz LGPYSURRWQUSSQ-KGLIPLIRSA-N 1 0 304.419 2.191 10 0 DEAERO CCn1c(=O)[nH]nc1S[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH2+]C ZINC000081879718 192334013 /nfs/dbraw/zinc/33/40/13/192334013.db2.gz OGHJRMVOZXZBQX-WOPDTQHZSA-N 1 0 312.483 2.486 10 0 DEAERO CC[NH2+][C@H](CSc1n[nH]c(=O)n1C)c1ccc(C)cc1C ZINC000081880738 192334353 /nfs/dbraw/zinc/33/43/53/192334353.db2.gz VYSNRJLKZUNFKU-CYBMUJFWSA-N 1 0 306.435 2.168 10 0 DEAERO C[NH2+][C@@H]1CCOC[C@@H]1Sc1ncccc1Br ZINC000081894334 192334554 /nfs/dbraw/zinc/33/45/54/192334554.db2.gz RMBYDWGUMZWGGX-ZJUUUORDSA-N 1 0 303.225 2.313 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1Sc1nnc(C)n1C ZINC000081897297 192335671 /nfs/dbraw/zinc/33/56/71/192335671.db2.gz KQLGVTNEXYQEQY-KGLIPLIRSA-N 1 0 304.419 2.327 10 0 DEAERO CC(C)NC(=O)CC[N@H+](C)Cc1cc(Br)cn1C ZINC000151433009 282116592 /nfs/dbraw/zinc/11/65/92/282116592.db2.gz DAKWDIWMHIUHGB-UHFFFAOYSA-N 1 0 316.243 2.134 10 0 DEAERO COCCn1ncc(Br)c1CC[NH2+]C(C)(C)C ZINC000162892229 197598698 /nfs/dbraw/zinc/59/86/98/197598698.db2.gz YTOCDVHGAFUMRU-UHFFFAOYSA-N 1 0 304.232 2.223 10 0 DEAERO CS(=O)(=O)c1ccc(OCc2cc(F)cc(C[NH3+])c2)cc1 ZINC000163000740 197606430 /nfs/dbraw/zinc/60/64/30/197606430.db2.gz WSEPGUORFVOIPY-UHFFFAOYSA-N 1 0 309.362 2.267 10 0 DEAERO Cc1nc2cc(Cl)ccn2c1C(=O)NCCCC[NH+](C)C ZINC000096771750 185386962 /nfs/dbraw/zinc/38/69/62/185386962.db2.gz FQULRGWUIYRXOL-UHFFFAOYSA-N 1 0 308.813 2.368 10 0 DEAERO C[NH2+][C@@H](C)CCS(=O)(=O)c1ccccc1Br ZINC000081932161 192340738 /nfs/dbraw/zinc/34/07/38/192340738.db2.gz BWWDKKDMCIKZBJ-VIFPVBQESA-N 1 0 306.225 2.221 10 0 DEAERO C[NH2+][C@H]1CCC[C@@H]1S(=O)(=O)c1ccccc1Br ZINC000081931554 192341956 /nfs/dbraw/zinc/34/19/56/192341956.db2.gz FDYRBQVYDURPOR-JQWIXIFHSA-N 1 0 318.236 2.363 10 0 DEAERO CC[C@H](C)S(=O)(=O)C[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000081937074 192342333 /nfs/dbraw/zinc/34/23/33/192342333.db2.gz HCQXUQLHQGKDGX-AAEUAGOBSA-N 1 0 315.435 2.178 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@@]1(C)CCC[C@@H]1[NH3+] ZINC000164647145 197659869 /nfs/dbraw/zinc/65/98/69/197659869.db2.gz ZHGFEOONXLVILR-CABZTGNLSA-N 1 0 300.200 2.366 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(Sc2nc(N)cc(=O)[nH]2)cc1Cl ZINC000078938793 185132056 /nfs/dbraw/zinc/13/20/56/185132056.db2.gz RQBKSSVVHFCWRG-ZETCQYMHSA-N 1 0 310.810 2.437 10 0 DEAERO COC(=O)[C@](C)([NH3+])CCSc1ncccc1Br ZINC000079447039 185171918 /nfs/dbraw/zinc/17/19/18/185171918.db2.gz KHKNAPUFHMLTSW-LLVKDONJSA-N 1 0 319.224 2.217 10 0 DEAERO C[NH2+][C@@](CSc1ccc(Cl)cn1)(C(N)=O)c1ccccc1 ZINC000079448445 185172175 /nfs/dbraw/zinc/17/21/75/185172175.db2.gz DINJPBZEYFEXRK-OAHLLOKOSA-N 1 0 321.833 2.427 10 0 DEAERO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)S(=O)(=O)CCOC ZINC000081945007 192345576 /nfs/dbraw/zinc/34/55/76/192345576.db2.gz PQFPZAQXYZUZSW-GDBMZVCRSA-N 1 0 313.463 2.485 10 0 DEAERO COc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc1OC(F)F ZINC000079515641 185173848 /nfs/dbraw/zinc/17/38/48/185173848.db2.gz RJDWQFRWRWQANU-CQSZACIVSA-N 1 0 300.305 2.377 10 0 DEAERO Cc1cccc(N2CCN(C(=O)C[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000082314455 185175461 /nfs/dbraw/zinc/17/54/61/185175461.db2.gz GEMBXGUNWOWCHC-MRXNPFEDSA-N 1 0 301.434 2.128 10 0 DEAERO CCN(C(=O)c1sccc1Br)[C@H]1CC[NH2+]C1 ZINC000082614198 185191219 /nfs/dbraw/zinc/19/12/19/185191219.db2.gz IDDQRAHYJTVLJP-QMMMGPOBSA-N 1 0 303.225 2.335 10 0 DEAERO O[C@@H](c1ccc(I)cc1)[C@H]1CCC[NH2+]1 ZINC000082954583 185209548 /nfs/dbraw/zinc/20/95/48/185209548.db2.gz UKXORRIGOGAIFN-MNOVXSKESA-N 1 0 303.143 2.077 10 0 DEAERO [NH3+]C[C@@](O)(CSc1ncccc1Br)C1CC1 ZINC000082917602 185209552 /nfs/dbraw/zinc/20/95/52/185209552.db2.gz IPEGBEVQCHJUNB-LLVKDONJSA-N 1 0 303.225 2.036 10 0 DEAERO CC[C@@H]1C[NH2+]CCN1c1cccc(I)c1 ZINC000083086705 185213042 /nfs/dbraw/zinc/21/30/42/185213042.db2.gz BXUIEAFLCHRFKE-LLVKDONJSA-N 1 0 316.186 2.479 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CCCc3ccccc32)C1 ZINC000170830489 282180570 /nfs/dbraw/zinc/18/05/70/282180570.db2.gz GXQYAYUWIMKBLG-CVEARBPZSA-N 1 0 301.434 2.452 10 0 DEAERO CC(C)(C)OC(=O)N1CCN([C@H](C[NH3+])C2CCCCC2)CC1 ZINC000083253739 185221533 /nfs/dbraw/zinc/22/15/33/185221533.db2.gz YPAMJZKWACWRKF-OAHLLOKOSA-N 1 0 311.470 2.447 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000087532782 185227730 /nfs/dbraw/zinc/22/77/30/185227730.db2.gz XVMBAWOTVXSFOA-NSHDSACASA-N 1 0 304.312 2.229 10 0 DEAERO O=c1cc2c(nn1Cc1cc(Cl)ccc1Cl)CC[NH2+]C2 ZINC000087755668 185231405 /nfs/dbraw/zinc/23/14/05/185231405.db2.gz IECUERRTUXKLPI-UHFFFAOYSA-N 1 0 310.184 2.244 10 0 DEAERO C[C@H]1CC[C@H](C)N(c2nc(NN)[nH+]cc2Br)C1 ZINC000087889636 185234601 /nfs/dbraw/zinc/23/46/01/185234601.db2.gz MGXONMAFPXNSOV-YUMQZZPRSA-N 1 0 300.204 2.150 10 0 DEAERO COc1ccc(C[S@](=O)CCC[NH3+])cc1Br ZINC000088066785 185238717 /nfs/dbraw/zinc/23/87/17/185238717.db2.gz UHMRPKNONSENTQ-INIZCTEOSA-N 1 0 306.225 2.055 10 0 DEAERO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000087816048 185232662 /nfs/dbraw/zinc/23/26/62/185232662.db2.gz TXTBAHVOFPRVIL-ABAIWWIYSA-N 1 0 304.415 2.322 10 0 DEAERO COc1ccc(Br)cc1Nc1cc(NN)[nH+]cn1 ZINC000087866054 185233741 /nfs/dbraw/zinc/23/37/41/185233741.db2.gz SMRNXWOYKIHREL-UHFFFAOYSA-N 1 0 310.155 2.277 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(Br)s1)[C@@H]1COCCO1 ZINC000087857895 185233744 /nfs/dbraw/zinc/23/37/44/185233744.db2.gz MYUSTLBFKXMCJB-MNOVXSKESA-N 1 0 320.252 2.447 10 0 DEAERO CC[NH2+][C@@H](Cc1cc(Br)cs1)[C@H]1COCCO1 ZINC000087858216 185233907 /nfs/dbraw/zinc/23/39/07/185233907.db2.gz QWCWJJHTLWDCAG-NWDGAFQWSA-N 1 0 320.252 2.447 10 0 DEAERO CC[NH2+][C@H]1CCCc2c(OCCS(=O)(=O)CC)cccc21 ZINC000088151907 185240712 /nfs/dbraw/zinc/24/07/12/185240712.db2.gz KZYUKJJILBEEEO-HNNXBMFYSA-N 1 0 311.447 2.487 10 0 DEAERO CC[C@@]1(CO)CCC[N@H+](Cc2ccccc2C(=O)N(C)C)C1 ZINC000417983671 529553258 /nfs/dbraw/zinc/55/32/58/529553258.db2.gz CJKGBKMBPKCNMX-GOSISDBHSA-N 1 0 304.434 2.373 10 0 DEAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)Nc1c(Cl)cccc1Cl ZINC000088171775 185241099 /nfs/dbraw/zinc/24/10/99/185241099.db2.gz DZANGNVEZZMTBI-QMMMGPOBSA-N 1 0 309.218 2.487 10 0 DEAERO C[C@H](C[NH3+])C[S@](=O)Cc1ccc(F)c(Br)c1 ZINC000088089984 185239735 /nfs/dbraw/zinc/23/97/35/185239735.db2.gz ZYATWQLYIJNOSZ-VPTHRUTESA-N 1 0 308.216 2.432 10 0 DEAERO COc1ccc(Br)c(-n2nnc([C@@H](C)[NH3+])c2C)c1 ZINC000088321094 185245380 /nfs/dbraw/zinc/24/53/80/185245380.db2.gz FVDYSJYVZLWALD-SSDOTTSWSA-N 1 0 311.183 2.367 10 0 DEAERO C[NH2+][C@@H]1CCCN(c2ccc(OC)c(Br)c2)C1=O ZINC000088330728 185245950 /nfs/dbraw/zinc/24/59/50/185245950.db2.gz VRTQEEZAPCLQHR-LLVKDONJSA-N 1 0 313.195 2.173 10 0 DEAERO CC[C@H](C[NH3+])S(=O)(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000088473400 185252278 /nfs/dbraw/zinc/25/22/78/185252278.db2.gz MFYTXYASTRSPBY-SNVBAGLBSA-N 1 0 310.341 2.493 10 0 DEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N(C)CCC(F)(F)F)c1 ZINC000088432907 185249631 /nfs/dbraw/zinc/24/96/31/185249631.db2.gz YQBRUDTTZKGQFD-SECBINFHSA-N 1 0 310.341 2.279 10 0 DEAERO COC(=O)[C@@](C)(C[C@H](C)[N@H+](C)CCC(F)(F)F)NC1CC1 ZINC000088434854 185250112 /nfs/dbraw/zinc/25/01/12/185250112.db2.gz QYYLYAZCGLPKTD-GXFFZTMASA-N 1 0 310.360 2.333 10 0 DEAERO COC(=O)[C@H](CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)NC(C)C ZINC000088435104 185250210 /nfs/dbraw/zinc/25/02/10/185250210.db2.gz OBBJXQOHVNYLDX-RYUDHWBXSA-N 1 0 310.360 2.190 10 0 DEAERO CCN[C@@](C)(C[NH+]1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC000088435498 185250481 /nfs/dbraw/zinc/25/04/81/185250481.db2.gz GCAMNVGNEMGZSJ-ZDUSSCGKSA-N 1 0 310.360 2.192 10 0 DEAERO CCOC(=O)[C@](C)(N)C[C@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000088435423 185250547 /nfs/dbraw/zinc/25/05/47/185250547.db2.gz PZGGVLMNQIUUBC-GXFFZTMASA-N 1 0 310.360 2.320 10 0 DEAERO CC(C)[NH2+][C@@](CO)(CN1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088439611 185250654 /nfs/dbraw/zinc/25/06/54/185250654.db2.gz HCIOKSDPKYGUMT-UONOGXRCSA-N 1 0 308.388 2.400 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)o1 ZINC000088540916 185255978 /nfs/dbraw/zinc/25/59/78/185255978.db2.gz WKOBFRNXWVLSIQ-SDDRHHMPSA-N 1 0 300.424 2.102 10 0 DEAERO COCCCS(=O)(=O)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000081986035 192349175 /nfs/dbraw/zinc/34/91/75/192349175.db2.gz DLTQWHAUQSTCQN-HRCADAONSA-N 1 0 311.447 2.101 10 0 DEAERO CCOc1ccc([C@@H](C)[NH3+])cc1CS(=O)(=O)CCCOC ZINC000081986235 192349018 /nfs/dbraw/zinc/34/90/18/192349018.db2.gz QWMJIRJKPOMORL-GFCCVEGCSA-N 1 0 315.435 2.056 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)CCC(C)C)o1 ZINC000088551095 185257691 /nfs/dbraw/zinc/25/76/91/185257691.db2.gz UUUHIGUPMRKYRP-GFCCVEGCSA-N 1 0 302.440 2.492 10 0 DEAERO CCn1nccc1C[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000179008520 282210635 /nfs/dbraw/zinc/21/06/35/282210635.db2.gz LDTLIHFWIWGAFS-UHFFFAOYSA-N 1 0 322.412 2.403 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2sc3ncccc3c2N)CC1 ZINC000088640856 185260742 /nfs/dbraw/zinc/26/07/42/185260742.db2.gz XQUBMTCHUCVZSG-UHFFFAOYSA-N 1 0 304.419 2.045 10 0 DEAERO CC[NH2+]Cc1nnc(-c2cc(OC)c(OC)cc2OC)s1 ZINC000088814046 185266346 /nfs/dbraw/zinc/26/63/46/185266346.db2.gz WKNZQQBJZAEKTF-UHFFFAOYSA-N 1 0 309.391 2.340 10 0 DEAERO CC(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C(N)=S)cc1 ZINC000088837012 185266772 /nfs/dbraw/zinc/26/67/72/185266772.db2.gz LNPRINWJEXWSJE-CQSZACIVSA-N 1 0 305.447 2.380 10 0 DEAERO CC(C)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000088836767 185266899 /nfs/dbraw/zinc/26/68/99/185266899.db2.gz DEAODQJHHJCSMO-AWEZNQCLSA-N 1 0 300.399 2.094 10 0 DEAERO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C(N)=S ZINC000088836965 185266930 /nfs/dbraw/zinc/26/69/30/185266930.db2.gz XHOPBKGEULXBPC-AWEZNQCLSA-N 1 0 305.447 2.380 10 0 DEAERO CC(C)[C@H]1CCCN1S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000088845425 185266939 /nfs/dbraw/zinc/26/69/39/185266939.db2.gz IVNDBXCVIZULKA-OAHLLOKOSA-N 1 0 308.447 2.141 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982813 192349265 /nfs/dbraw/zinc/34/92/65/192349265.db2.gz VZGDCABSKIKGPB-NWDGAFQWSA-N 1 0 318.236 2.493 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000088715639 185263116 /nfs/dbraw/zinc/26/31/16/185263116.db2.gz SCCNABDWRAEBOW-CABCVRRESA-N 1 0 308.447 2.148 10 0 DEAERO [NH3+]Cc1ccccc1S(=O)(=O)Nc1c(F)cc(F)cc1F ZINC000088721043 185263323 /nfs/dbraw/zinc/26/33/23/185263323.db2.gz BSHUXFRYSWNIBC-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCCCCC1 ZINC000178315086 282217618 /nfs/dbraw/zinc/21/76/18/282217618.db2.gz CAPPZVAAAJRPTF-DOTOQJQBSA-N 1 0 318.465 2.447 10 0 DEAERO CC(C)[C@@H]([C@@H]([NH3+])c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000081989581 192351175 /nfs/dbraw/zinc/35/11/75/192351175.db2.gz SHACDKGKWZNSKO-HOTGVXAUSA-N 1 0 311.447 2.305 10 0 DEAERO C[NH+](C)C1(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)CC1 ZINC000613123403 362010876 /nfs/dbraw/zinc/01/08/76/362010876.db2.gz PBCOQYQRXWNSGS-ZDUSSCGKSA-N 1 0 305.397 2.005 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cnc2ccsc2c1 ZINC000090025377 185278740 /nfs/dbraw/zinc/27/87/40/185278740.db2.gz HOKFBLIZPBOLCD-CABZTGNLSA-N 1 0 303.387 2.094 10 0 DEAERO C[C@](O)(CO)C[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000090285195 185289448 /nfs/dbraw/zinc/28/94/48/185289448.db2.gz XFFOIXZDJRQTQR-DGCLKSJQSA-N 1 0 306.189 2.150 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1cn2cc(Cl)ccc2n1 ZINC000090332589 185291562 /nfs/dbraw/zinc/29/15/62/185291562.db2.gz PAISCCPHHWUXFD-KCPJHIHWSA-N 1 0 304.825 2.418 10 0 DEAERO CCCSc1nsc(NC(=O)CSCC[C@@H](C)[NH3+])n1 ZINC000090346384 185292072 /nfs/dbraw/zinc/29/20/72/185292072.db2.gz XWNHNPSNVDQWPD-MRVPVSSYSA-N 1 0 320.509 2.449 10 0 DEAERO C[C@H](C[NH3+])CSCC(=O)NCCc1cccc(Cl)c1 ZINC000090350777 185292159 /nfs/dbraw/zinc/29/21/59/185292159.db2.gz RBINTEVVBJTLCY-LLVKDONJSA-N 1 0 300.855 2.327 10 0 DEAERO C[C@H](CC[NH3+])SCC(=O)NC(=O)c1ccc(Cl)cc1 ZINC000090354905 185292272 /nfs/dbraw/zinc/29/22/72/185292272.db2.gz PQBXGPWGOSWGBB-SECBINFHSA-N 1 0 300.811 2.067 10 0 DEAERO C[C@@H](CC[NH3+])SCC(=O)Nc1ccc(Br)cn1 ZINC000090354588 185292466 /nfs/dbraw/zinc/29/24/66/185292466.db2.gz QXCGRVGQXICOIY-QMMMGPOBSA-N 1 0 318.240 2.253 10 0 DEAERO CO[C@@H]1CCN(c2cc(C)c(Br)cn2)[C@@H](C[NH3+])C1 ZINC000166166396 197689024 /nfs/dbraw/zinc/68/90/24/197689024.db2.gz LLRPHELXAYZFQC-GHMZBOCLSA-N 1 0 314.227 2.095 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000090487502 185298825 /nfs/dbraw/zinc/29/88/25/185298825.db2.gz SCOQFQCFHDETCY-NWDGAFQWSA-N 1 0 302.296 2.268 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000090487246 185298884 /nfs/dbraw/zinc/29/88/84/185298884.db2.gz FXWVFECOSOVMOK-JOYOIKCWSA-N 1 0 302.296 2.268 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090590488 185305435 /nfs/dbraw/zinc/30/54/35/185305435.db2.gz RGRYJIDMDZOHIN-JSGCOSHPSA-N 1 0 317.216 2.316 10 0 DEAERO COCC[NH2+]C[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000166758353 197697608 /nfs/dbraw/zinc/69/76/08/197697608.db2.gz MCVRHYQMDWKWFT-GXFFZTMASA-N 1 0 315.211 2.158 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1F ZINC000090539985 185301678 /nfs/dbraw/zinc/30/16/78/185301678.db2.gz CPOKZEJODBMRLC-GWCFXTLKSA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(F)cc(F)c1F ZINC000090544846 185302023 /nfs/dbraw/zinc/30/20/23/185302023.db2.gz RPULISOGXIXFMB-CABZTGNLSA-N 1 0 302.296 2.057 10 0 DEAERO O=C(Cc1ccc(Br)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000166717203 197698206 /nfs/dbraw/zinc/69/82/06/197698206.db2.gz FRIPIOMCFFBXBD-CYBMUJFWSA-N 1 0 311.223 2.250 10 0 DEAERO C[C@@]1(c2nc(Cc3c(F)cccc3Cl)no2)COC[C@H]1[NH3+] ZINC000090573785 185304471 /nfs/dbraw/zinc/30/44/71/185304471.db2.gz YVBGWNFJFVYUKN-BXUZGUMPSA-N 1 0 311.744 2.068 10 0 DEAERO C[C@@H](CC[NH3+])[S@@](=O)CCOc1cccc(Br)c1 ZINC000166925617 197701447 /nfs/dbraw/zinc/70/14/47/197701447.db2.gz UICHGVQJOPNYOH-DYZYQPBXSA-N 1 0 320.252 2.314 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(OCC(F)F)nc1 ZINC000090614922 185307115 /nfs/dbraw/zinc/30/71/15/185307115.db2.gz XNFTWCKUMKUTRY-NSHDSACASA-N 1 0 315.364 2.186 10 0 DEAERO Cc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c2ccccc2n1 ZINC000092345772 185313471 /nfs/dbraw/zinc/31/34/71/185313471.db2.gz LATINMHBPUBFKT-CQSZACIVSA-N 1 0 304.415 2.210 10 0 DEAERO COCC[NH2+]CC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000092495563 185322304 /nfs/dbraw/zinc/32/23/04/185322304.db2.gz BLWKMPAMHLHXLH-JTQLQIEISA-N 1 0 304.312 2.119 10 0 DEAERO OC[C@@H](c1ccc(F)cc1C(F)(F)F)N1CCC[NH2+]CC1 ZINC000167468283 197708878 /nfs/dbraw/zinc/70/88/78/197708878.db2.gz FKIXNEHASHULKG-ZDUSSCGKSA-N 1 0 306.303 2.173 10 0 DEAERO COCCOc1cccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000092616018 185328922 /nfs/dbraw/zinc/32/89/22/185328922.db2.gz FROIIDCMIVYCDM-QGZVFWFLSA-N 1 0 304.434 2.382 10 0 DEAERO C[C@H](O)[C@@H]1CCN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)C1 ZINC000167798841 197714275 /nfs/dbraw/zinc/71/42/75/197714275.db2.gz QXHJXPTVQPRKKX-DTWKUNHWSA-N 1 0 301.312 2.197 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000185449279 282262626 /nfs/dbraw/zinc/26/26/26/282262626.db2.gz CQTYIURYWUCQKC-HUUCEWRRSA-N 1 0 315.502 2.401 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000185449243 282262637 /nfs/dbraw/zinc/26/26/37/282262637.db2.gz CQTYIURYWUCQKC-CABCVRRESA-N 1 0 315.502 2.401 10 0 DEAERO CC1(C)C(CNS(=O)(=O)c2ccc(C[NH3+])cc2F)C1(C)C ZINC000092833166 185344894 /nfs/dbraw/zinc/34/48/94/185344894.db2.gz JTWAMICLSQFQIN-UHFFFAOYSA-N 1 0 314.426 2.245 10 0 DEAERO CC[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)CC(C)C ZINC000092859163 185346955 /nfs/dbraw/zinc/34/69/55/185346955.db2.gz XHOLFISYNAUKNT-HOTGVXAUSA-N 1 0 311.447 2.341 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](Sc1nnc(N(C)C)s1)C2 ZINC000092860050 185347023 /nfs/dbraw/zinc/34/70/23/185347023.db2.gz MRWOGIHTEYCPJI-RYUDHWBXSA-N 1 0 322.459 2.330 10 0 DEAERO COc1cc(Br)c([C@@H]2OCC[C@H]2[NH3+])cc1OC ZINC000092888661 185347890 /nfs/dbraw/zinc/34/78/90/185347890.db2.gz RFVGHPKMNPKSAF-SKDRFNHKSA-N 1 0 302.168 2.255 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]C2CC(C(C)C)C2)CC(=O)N1C ZINC000330201574 282266353 /nfs/dbraw/zinc/26/63/53/282266353.db2.gz XZGXSVOPZRQCCH-PPPKJHQXSA-N 1 0 318.465 2.333 10 0 DEAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000093994641 282271028 /nfs/dbraw/zinc/27/10/28/282271028.db2.gz SOYYJLILDMNPQR-STQMWFEESA-N 1 0 318.417 2.318 10 0 DEAERO C[C@]1(C(=O)Cc2ccc(OC(F)(F)F)cc2)COC[C@H]1[NH3+] ZINC000168434993 197723217 /nfs/dbraw/zinc/72/32/17/197723217.db2.gz UYWCOYLONQTHMF-YPMHNXCESA-N 1 0 303.280 2.061 10 0 DEAERO O=C(CC[N@H+]1CC[C@](O)(C(F)(F)F)C1)OCc1ccccc1 ZINC000181472344 199301783 /nfs/dbraw/zinc/30/17/83/199301783.db2.gz OKJZCNFMFDCYOF-CQSZACIVSA-N 1 0 317.307 2.119 10 0 DEAERO CCc1nc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)cs1 ZINC000189835593 529737979 /nfs/dbraw/zinc/73/79/79/529737979.db2.gz QWEVUYRVFACSES-UHFFFAOYSA-N 1 0 310.467 2.331 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000036076821 539333700 /nfs/dbraw/zinc/33/37/00/539333700.db2.gz ZDUNZVDFDUJOTM-GFCCVEGCSA-N 1 0 318.870 2.490 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(C)s1 ZINC000036266018 539334086 /nfs/dbraw/zinc/33/40/86/539334086.db2.gz GFVUDYFQEKXQRX-GFCCVEGCSA-N 1 0 314.476 2.318 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(F)ccc(OC)c1OC ZINC000188537961 282304324 /nfs/dbraw/zinc/30/43/24/282304324.db2.gz VSXFJWAEBIGEMU-LBPRGKRZSA-N 1 0 324.396 2.399 10 0 DEAERO O=C1CC[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)N1 ZINC000079927954 539375619 /nfs/dbraw/zinc/37/56/19/539375619.db2.gz OJLWPMORVREEIF-KBPBESRZSA-N 1 0 323.234 2.175 10 0 DEAERO C[C@@H]1C[C@@H](NCc2cc(C(N)=O)co2)C[N@@H+]1Cc1ccccc1 ZINC000189411340 282309355 /nfs/dbraw/zinc/30/93/55/282309355.db2.gz MPEBUXJYLNVPRL-CZUORRHYSA-N 1 0 313.401 2.131 10 0 DEAERO COC[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000190435121 282320470 /nfs/dbraw/zinc/32/04/70/282320470.db2.gz QNVZBYMRZGXJKE-GXSJLCMTSA-N 1 0 318.211 2.116 10 0 DEAERO CCOC(=O)c1cnc2ccc(C)cc2c1N1CC(CO)C1 ZINC000192181315 282337829 /nfs/dbraw/zinc/33/78/29/282337829.db2.gz DJJGGYCOYGPIBP-UHFFFAOYSA-N 1 0 300.358 2.148 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1 ZINC000089449854 539410969 /nfs/dbraw/zinc/41/09/69/539410969.db2.gz VGGKNDVOXMHVQE-YPMHNXCESA-N 1 0 311.223 2.440 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000195130338 282369394 /nfs/dbraw/zinc/36/93/94/282369394.db2.gz XLIVCRDQJYTPPP-HNNXBMFYSA-N 1 0 305.397 2.251 10 0 DEAERO CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000245407713 282385295 /nfs/dbraw/zinc/38/52/95/282385295.db2.gz CMILKCKWHBIZKQ-XHDPSFHLSA-N 1 0 307.369 2.054 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cc(F)ccc1F ZINC000245434102 282387876 /nfs/dbraw/zinc/38/78/76/282387876.db2.gz PPALJVTWFRSRTP-KBPBESRZSA-N 1 0 323.387 2.462 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000245477811 282391277 /nfs/dbraw/zinc/39/12/77/282391277.db2.gz URPSINBXLBNYPQ-YESZJQIVSA-N 1 0 317.433 2.300 10 0 DEAERO CCOc1ncccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245585405 282398788 /nfs/dbraw/zinc/39/87/88/282398788.db2.gz AGNWKLBWFRILHJ-ZFWWWQNUSA-N 1 0 320.437 2.104 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2Cc3ccccc32)C1 ZINC000132379415 539502758 /nfs/dbraw/zinc/50/27/58/539502758.db2.gz KSCUQYAWOCRWBS-KMFMINBZSA-N 1 0 301.434 2.354 10 0 DEAERO CC[C@H]([NH3+])Cc1c(Sc2cnn(C)c2)nc2ccccn21 ZINC000111588898 185615542 /nfs/dbraw/zinc/61/55/42/185615542.db2.gz BFADXMVLORHUCQ-NSHDSACASA-N 1 0 301.419 2.499 10 0 DEAERO CC[C@@H]([NH3+])Cc1c(Sc2nccn2C)nc2ccccn21 ZINC000111579648 185614337 /nfs/dbraw/zinc/61/43/37/185614337.db2.gz QDWFSDMTOCCXSB-LLVKDONJSA-N 1 0 301.419 2.499 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000136342976 539518138 /nfs/dbraw/zinc/51/81/38/539518138.db2.gz IUNWKSWACCRLNG-CYBMUJFWSA-N 1 0 311.813 2.354 10 0 DEAERO CC[NH2+][C@H](C)[C@@H]1CCCN(c2ccccc2S(C)(=O)=O)C1 ZINC000111716517 185630179 /nfs/dbraw/zinc/63/01/79/185630179.db2.gz QPFKUFVOCZCCDM-ZIAGYGMSSA-N 1 0 310.463 2.305 10 0 DEAERO CC[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1nccn1C ZINC000183264494 199564995 /nfs/dbraw/zinc/56/49/95/199564995.db2.gz MGHCAKUHBPUOMT-GFCCVEGCSA-N 1 0 306.435 2.342 10 0 DEAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)CC1CCCCC1 ZINC000111720260 185631417 /nfs/dbraw/zinc/63/14/17/185631417.db2.gz KVQDONHNQHQULF-HNNXBMFYSA-N 1 0 302.484 2.361 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC(C[NH2+]C(C)C)CC2)s1 ZINC000111721506 185631999 /nfs/dbraw/zinc/63/19/99/185631999.db2.gz KNYINNRWURDQHM-UHFFFAOYSA-N 1 0 316.492 2.455 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000235670938 201920734 /nfs/dbraw/zinc/92/07/34/201920734.db2.gz VLWIWNAXPPFCQS-GXSJLCMTSA-N 1 0 302.827 2.067 10 0 DEAERO COC(=O)CCCCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183305917 199570966 /nfs/dbraw/zinc/57/09/66/199570966.db2.gz JCUQVDRMZBPMQY-UHFFFAOYSA-N 1 0 307.394 2.001 10 0 DEAERO CNC(=O)CCCOc1c(Cl)cc(C[C@H](C)[NH3+])cc1OC ZINC000068820110 190785254 /nfs/dbraw/zinc/78/52/54/190785254.db2.gz FKQGQKOMJBNDSO-JTQLQIEISA-N 1 0 314.813 2.143 10 0 DEAERO CC(C)(C)n1cc(CN2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000153554858 539545028 /nfs/dbraw/zinc/54/50/28/539545028.db2.gz CVGNLZXXLPXDGU-IAGOWNOFSA-N 1 0 320.481 2.059 10 0 DEAERO CC(C)[C@@H]1C[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000248514233 282513627 /nfs/dbraw/zinc/51/36/27/282513627.db2.gz DVFLZLIXDJHXPZ-MWDXBVQZSA-N 1 0 308.466 2.163 10 0 DEAERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(S(C)(=O)=O)cc1F ZINC000313429269 535065645 /nfs/dbraw/zinc/06/56/45/535065645.db2.gz YPECHSBYYOCWPJ-CYBMUJFWSA-N 1 0 302.415 2.039 10 0 DEAERO C[C@H]([NH3+])CCC(=O)Nc1ccccc1I ZINC000069839027 190825906 /nfs/dbraw/zinc/82/59/06/190825906.db2.gz FPCBKEWMJRSAAI-QMMMGPOBSA-N 1 0 318.158 2.357 10 0 DEAERO C[C@H]1C[NH+](CC2CC[NH+](CCCCC(=O)[O-])CC2)C[C@H](C)O1 ZINC000262261563 290839219 /nfs/dbraw/zinc/83/92/19/290839219.db2.gz REFKKOXEUMIGTQ-GJZGRUSLSA-N 1 0 312.454 2.063 10 0 DEAERO CC[C@](C)(O)C[NH2+]Cc1ccc(I)o1 ZINC000083463157 192371416 /nfs/dbraw/zinc/37/14/16/192371416.db2.gz JSIJXIINRODEOA-JTQLQIEISA-N 1 0 309.147 2.135 10 0 DEAERO Cc1cc(-c2nnc(CN(C)CC[NH+]3CCCC3)o2)c(C)o1 ZINC000162499599 539596889 /nfs/dbraw/zinc/59/68/89/539596889.db2.gz UNFYCONEQTUIFO-UHFFFAOYSA-N 1 0 304.394 2.474 10 0 DEAERO Cc1sc2nc(CN3C[C@@H](C)[NH2+][C@H](C)C3)nc(N)c2c1C ZINC000070078059 190855944 /nfs/dbraw/zinc/85/59/44/190855944.db2.gz KXBCWVUJBKXUPV-RKDXNWHRSA-N 1 0 305.451 2.073 10 0 DEAERO CCCS(=O)(=O)c1ccccc1N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000070178637 190869100 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CO[C@H](C)c1nc(C)c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000176103020 539626339 /nfs/dbraw/zinc/62/63/39/539626339.db2.gz SMKLHNXTUYDEFL-VXGBXAGGSA-N 1 0 323.462 2.373 10 0 DEAERO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)c1 ZINC000176954662 539628846 /nfs/dbraw/zinc/62/88/46/539628846.db2.gz JOXUSZXQEKICCJ-NWDGAFQWSA-N 1 0 315.435 2.035 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000175400024 539623755 /nfs/dbraw/zinc/62/37/55/539623755.db2.gz IRTAMNZIKFKUCV-DOMZBBRYSA-N 1 0 315.417 2.105 10 0 DEAERO CC(C)[C@H]([NH3+])CNS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000070447603 190895045 /nfs/dbraw/zinc/89/50/45/190895045.db2.gz WSXFOCAHJUUCLM-SBDDDAINSA-N 1 0 302.827 2.213 10 0 DEAERO OC[C@H](CCOc1c(F)c(F)c(F)c(F)c1F)[NH2+]C1CC1 ZINC000070519617 190903268 /nfs/dbraw/zinc/90/32/68/190903268.db2.gz MUKUKZLQIWLQPQ-ZETCQYMHSA-N 1 0 311.250 2.264 10 0 DEAERO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)[C@H]2CCCO2)C2CC2)o1 ZINC000183124859 539659385 /nfs/dbraw/zinc/65/93/85/539659385.db2.gz QTIRVYKXURMFFM-CZUORRHYSA-N 1 0 306.406 2.236 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000183224027 539660212 /nfs/dbraw/zinc/66/02/12/539660212.db2.gz BHWHWLNAAIVXTN-MQIPJXDCSA-N 1 0 304.390 2.373 10 0 DEAERO C[NH2+][C@H]1CCCN(c2cc(Br)ccc2OC)C1=O ZINC000071034640 190930963 /nfs/dbraw/zinc/93/09/63/190930963.db2.gz PKQCDPNPRZNJOP-JTQLQIEISA-N 1 0 313.195 2.173 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)Nc1cccc(I)c1 ZINC000083604101 192375192 /nfs/dbraw/zinc/37/51/92/192375192.db2.gz BSPFJODSSLGBKX-QMMMGPOBSA-N 1 0 318.158 2.215 10 0 DEAERO Cc1cnc([C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C2CC2)s1 ZINC000185306345 539671276 /nfs/dbraw/zinc/67/12/76/539671276.db2.gz RFJAZWQZDGZHTQ-BXKDBHETSA-N 1 0 302.465 2.173 10 0 DEAERO O=C1CCCN1C[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000185840709 539672842 /nfs/dbraw/zinc/67/28/42/539672842.db2.gz BHMMZZCGNOOGJQ-KRWDZBQOSA-N 1 0 316.445 2.115 10 0 DEAERO CCOCCCC[NH2+]CCn1cc(C(F)(F)F)ccc1=O ZINC000071212156 190942443 /nfs/dbraw/zinc/94/24/43/190942443.db2.gz MOOGCLNMYZIRAH-UHFFFAOYSA-N 1 0 306.328 2.273 10 0 DEAERO CC(C)NC(=O)CC[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191616220 539702424 /nfs/dbraw/zinc/70/24/24/539702424.db2.gz PQGJNLFRFHULJR-AWEZNQCLSA-N 1 0 307.413 2.251 10 0 DEAERO Cn1c2ccc(C[NH2+]C[C@H]3CCCC[C@H]3O)cc2sc1=O ZINC000192589040 539708947 /nfs/dbraw/zinc/70/89/47/539708947.db2.gz VBVGVZHHNLCXIW-TZMCWYRMSA-N 1 0 306.431 2.241 10 0 DEAERO C[C@H](CNC(=O)[C@H](C)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000193814806 539715585 /nfs/dbraw/zinc/71/55/85/539715585.db2.gz BZCUQIMIJOPAAV-CVEARBPZSA-N 1 0 317.477 2.321 10 0 DEAERO C[C@@H](O)[C@@](C)(C[NH3+])Cc1ccc(I)cc1 ZINC000083851922 192387730 /nfs/dbraw/zinc/38/77/30/192387730.db2.gz FJQIIAMFCAWHAU-BXKDBHETSA-N 1 0 319.186 2.180 10 0 DEAERO CCNC(=O)[C@@H](C)Oc1ccc(C[NH2+]C)cc1C(F)(F)F ZINC000071398561 190967182 /nfs/dbraw/zinc/96/71/82/190967182.db2.gz JQVXDWTXQJVJGV-SECBINFHSA-N 1 0 304.312 2.328 10 0 DEAERO CC(C)CCn1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)nn1 ZINC000130394461 185962945 /nfs/dbraw/zinc/96/29/45/185962945.db2.gz ZWYAKAKCVSHSGG-UHFFFAOYSA-N 1 0 321.469 2.174 10 0 DEAERO Cc1ccc([S@@](=O)[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c(C)c1 ZINC000084000108 192395614 /nfs/dbraw/zinc/39/56/14/192395614.db2.gz GFIYXPNWHSZVSB-YHQOMNDMSA-N 1 0 309.431 2.034 10 0 DEAERO COc1ccc([S@@](=O)Cc2cc(C[NH3+])ccc2OC)cc1 ZINC000084002227 192394838 /nfs/dbraw/zinc/39/48/38/192394838.db2.gz XDGFZUPHRFMPRO-OAQYLSRUSA-N 1 0 305.399 2.470 10 0 DEAERO O=C1CC[C@@H](C[NH2+]Cc2c(F)ccc(Br)c2F)N1 ZINC000230308708 539733938 /nfs/dbraw/zinc/73/39/38/539733938.db2.gz ZJQJHBATWHZSGD-ZETCQYMHSA-N 1 0 319.149 2.096 10 0 DEAERO COc1cccc(C[C@H]2C[NH2+]CCN2C(=O)OC(C)(C)C)c1 ZINC000071661983 191000281 /nfs/dbraw/zinc/00/02/81/191000281.db2.gz LIDWSWATOCOLFC-AWEZNQCLSA-N 1 0 306.406 2.447 10 0 DEAERO CC(C)C(=O)N1CCOc2ccc(C(=O)C3CC[NH2+]CC3)cc21 ZINC000071664692 191002139 /nfs/dbraw/zinc/00/21/39/191002139.db2.gz GCNJCAMFGZLOJQ-UHFFFAOYSA-N 1 0 316.401 2.250 10 0 DEAERO C[C@H](O)CN1Cc2ccc(OCc3ccccc3)cc2[C@@H]1C[NH3+] ZINC000071684832 191008525 /nfs/dbraw/zinc/00/85/25/191008525.db2.gz NNAJFTIZVZKGCL-LIRRHRJNSA-N 1 0 312.413 2.462 10 0 DEAERO COC(=O)c1ccc(Cl)c(N[C@@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000133649430 186003390 /nfs/dbraw/zinc/00/33/90/186003390.db2.gz VJAOOIUTBKBXSB-CMPLNLGQSA-N 1 0 312.797 2.306 10 0 DEAERO O=S(=O)(C1CCCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000133655179 186003586 /nfs/dbraw/zinc/00/35/86/186003586.db2.gz IIIMYYVAFVFCBT-UHFFFAOYSA-N 1 0 300.468 2.113 10 0 DEAERO O=S(=O)(c1ccc(N[C@@H]2CCC[NH2+]CC2)cc1)C(F)F ZINC000133644267 186003081 /nfs/dbraw/zinc/00/30/81/186003081.db2.gz LVXGZEYVENIZBW-SNVBAGLBSA-N 1 0 304.362 2.237 10 0 DEAERO NC(=O)c1ccc(N2CCC([NH2+]CC3CC3)CC2)cc1Cl ZINC000133709947 186009346 /nfs/dbraw/zinc/00/93/46/186009346.db2.gz OEBFUTJHCZLXGN-UHFFFAOYSA-N 1 0 307.825 2.407 10 0 DEAERO C[C@@H]1CCCCCN1S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139105603 186019975 /nfs/dbraw/zinc/01/99/75/186019975.db2.gz VSYGERVCLRUFEN-SNVBAGLBSA-N 1 0 318.389 2.377 10 0 DEAERO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1 ZINC000138347445 186016335 /nfs/dbraw/zinc/01/63/35/186016335.db2.gz IDWBTLVMYLFOHV-UWVGGRQHSA-N 1 0 318.389 2.090 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000138352754 186016661 /nfs/dbraw/zinc/01/66/61/186016661.db2.gz QDCKZSXFYCGKME-UHFFFAOYSA-N 1 0 318.389 2.249 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1 ZINC000138535984 186017621 /nfs/dbraw/zinc/01/76/21/186017621.db2.gz PSCOZFQCPLMAHR-JTQLQIEISA-N 1 0 318.389 2.234 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)NCC(C)(C)C)c1 ZINC000138645158 186018310 /nfs/dbraw/zinc/01/83/10/186018310.db2.gz SPFACEVIOYYTTL-UHFFFAOYSA-N 1 0 320.405 2.399 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Nc1cccc(Br)c1O ZINC000133830206 186012766 /nfs/dbraw/zinc/01/27/66/186012766.db2.gz VVRBMTSENUCMHC-QMMMGPOBSA-N 1 0 301.184 2.468 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CC[C@H](NC(C)=O)C1 ZINC000133841474 186013794 /nfs/dbraw/zinc/01/37/94/186013794.db2.gz TVAQEQHURYNOGU-HRCADAONSA-N 1 0 309.841 2.329 10 0 DEAERO CC[C@@H]1CC[C@H](C)N1S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139277793 186020883 /nfs/dbraw/zinc/02/08/83/186020883.db2.gz LQEOBSLNRPHZJV-GXSJLCMTSA-N 1 0 318.389 2.375 10 0 DEAERO Cc1ccc([C@H]2N[C@H](C(C)C)C(=O)N2CCC[NH+](C)C)s1 ZINC000140465732 186026824 /nfs/dbraw/zinc/02/68/24/186026824.db2.gz LIMDZGNPJMIEOG-CABCVRRESA-N 1 0 309.479 2.463 10 0 DEAERO CCC[C@H]1N[C@@H](c2ccsc2)N(C2CC[NH+](C)CC2)C1=O ZINC000141186277 186029014 /nfs/dbraw/zinc/02/90/14/186029014.db2.gz OAFJHUQGLUQZHS-HUUCEWRRSA-N 1 0 307.463 2.441 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2Cc3ccccc32)C1 ZINC000247288849 539768929 /nfs/dbraw/zinc/76/89/29/539768929.db2.gz KSCUQYAWOCRWBS-FRFSOERESA-N 1 0 301.434 2.354 10 0 DEAERO CC[C@H]1N[C@@H](c2ccc(C)s2)N(C2CC[NH+](C)CC2)C1=O ZINC000141225691 186029291 /nfs/dbraw/zinc/02/92/91/186029291.db2.gz KKJKQLZNIJYCJU-UKRRQHHQSA-N 1 0 307.463 2.360 10 0 DEAERO [NH3+]CC1(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)CCC1 ZINC000147905710 186042569 /nfs/dbraw/zinc/04/25/69/186042569.db2.gz ANHOKCREMHDLID-KBPBESRZSA-N 1 0 312.479 2.019 10 0 DEAERO CCOC(=O)c1c(NC(=O)C2([NH3+])CCC2)sc2c1CCC2 ZINC000148131866 186043346 /nfs/dbraw/zinc/04/33/46/186043346.db2.gz WYZBPIOZOANSNL-UHFFFAOYSA-N 1 0 308.403 2.233 10 0 DEAERO CC[N@@H+]1CCC[C@@H](N2C(=O)C3(CC3)N[C@H]2c2ccsc2)C1 ZINC000144278903 186035136 /nfs/dbraw/zinc/03/51/36/186035136.db2.gz XVCDTNKMYQAZSX-ZIAGYGMSSA-N 1 0 305.447 2.195 10 0 DEAERO CC[C@@H]1N[C@@H](c2ccsc2)N([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000144696657 186035524 /nfs/dbraw/zinc/03/55/24/186035524.db2.gz DRGDTOSTSCNDPX-QLFBSQMISA-N 1 0 305.447 2.194 10 0 DEAERO CCNc1ncc(Br)c(OCC(C)(C)[NH+](C)C)n1 ZINC000149310007 186048870 /nfs/dbraw/zinc/04/88/70/186048870.db2.gz KNAMFRZHLBPFFJ-UHFFFAOYSA-N 1 0 317.231 2.390 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000149534396 186050792 /nfs/dbraw/zinc/05/07/92/186050792.db2.gz RMJWNFJHWOQMIY-WOPDTQHZSA-N 1 0 310.360 2.368 10 0 DEAERO CCC[C@@](O)(C[NH3+])Cc1c(Br)c(C)nn1CC ZINC000150010838 186054033 /nfs/dbraw/zinc/05/40/33/186054033.db2.gz YHZNMQFKIFCQAW-LBPRGKRZSA-N 1 0 304.232 2.006 10 0 DEAERO COc1ccc(Br)cc1C[C@@](O)(C[NH3+])C(C)C ZINC000150058138 186054136 /nfs/dbraw/zinc/05/41/36/186054136.db2.gz JMOSSSDBWCDOPH-CYBMUJFWSA-N 1 0 302.212 2.346 10 0 DEAERO O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249834830 539782412 /nfs/dbraw/zinc/78/24/12/539782412.db2.gz QWXBTVVGJWCLCP-KSZLIROESA-N 1 0 314.429 2.461 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1ccccc1OC(F)F ZINC000155680089 186102675 /nfs/dbraw/zinc/10/26/75/186102675.db2.gz FGYHUJFTIVFSSR-VXGBXAGGSA-N 1 0 312.360 2.382 10 0 DEAERO COc1ccc(O[C@@H](C)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000155743915 186108775 /nfs/dbraw/zinc/10/87/75/186108775.db2.gz IRSNKCGLAFMIAC-GUYCJALGSA-N 1 0 320.433 2.486 10 0 DEAERO CC(C)NC(=O)CN(C)c1ccc(C(F)(F)F)c(C[NH3+])c1 ZINC000163981359 186144771 /nfs/dbraw/zinc/14/47/71/186144771.db2.gz PNZNEXIOPGSTMT-UHFFFAOYSA-N 1 0 303.328 2.125 10 0 DEAERO CCn1ncc(Br)c1[C@](C)(F)C[C@@H]1COCC[NH2+]1 ZINC000164055811 186146902 /nfs/dbraw/zinc/14/69/02/186146902.db2.gz SJWIZJQLLMYXHX-BXKDBHETSA-N 1 0 320.206 2.229 10 0 DEAERO C[C@H](C(=O)Nc1cc(Cl)ccc1-n1cccn1)C1C[NH2+]C1 ZINC000164120993 186149527 /nfs/dbraw/zinc/14/95/27/186149527.db2.gz PJSSIGGVJHHKFC-JTQLQIEISA-N 1 0 304.781 2.320 10 0 DEAERO [NH3+][C@H]1CCCN(C(=O)c2cccc(F)c2Br)C1 ZINC000155977489 186124791 /nfs/dbraw/zinc/12/47/91/186124791.db2.gz SACXTGYOUMDZCF-QMMMGPOBSA-N 1 0 301.159 2.152 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nnc(Cl)s1 ZINC000159732703 186137867 /nfs/dbraw/zinc/13/78/67/186137867.db2.gz HNOCFFDUIHGCTH-SECBINFHSA-N 1 0 302.831 2.186 10 0 DEAERO CCC[NH2+]C[C@@H]1COCCN1c1ccncc1Br ZINC000164157189 186150858 /nfs/dbraw/zinc/15/08/58/186150858.db2.gz OZDGPMUFMJMZNJ-LLVKDONJSA-N 1 0 314.227 2.049 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(CCO)CCOC ZINC000164208032 186151730 /nfs/dbraw/zinc/15/17/30/186151730.db2.gz OYHWDFADXLVBNN-LSDHHAIUSA-N 1 0 300.830 2.059 10 0 DEAERO Cc1nc(CN(C)c2cc(NN)[nH+]c(C(C)(C)C)n2)cs1 ZINC000164258959 186153634 /nfs/dbraw/zinc/15/36/34/186153634.db2.gz MAUPRDSLWJNCQD-UHFFFAOYSA-N 1 0 306.439 2.461 10 0 DEAERO CCO[C@H](C)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000164321484 186155927 /nfs/dbraw/zinc/15/59/27/186155927.db2.gz RIEBYGLTYKOPJS-ZWNOBZJWSA-N 1 0 301.383 2.059 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000164362048 186157206 /nfs/dbraw/zinc/15/72/06/186157206.db2.gz AZWSZDHIQKRXTB-PSASIEDQSA-N 1 0 300.200 2.366 10 0 DEAERO C[C@H]1C[C@@H](Nc2ccccc2SCC(N)=O)C[N@@H+]1C1CC1 ZINC000164409847 186158375 /nfs/dbraw/zinc/15/83/75/186158375.db2.gz BKFJPDJFWMLFJV-NWDGAFQWSA-N 1 0 305.447 2.301 10 0 DEAERO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000177853299 186194178 /nfs/dbraw/zinc/19/41/78/186194178.db2.gz OKTXOEJSAUETMN-GOEBONIOSA-N 1 0 302.418 2.306 10 0 DEAERO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)Oc1ccccc1F ZINC000175683777 186187818 /nfs/dbraw/zinc/18/78/18/186187818.db2.gz OVKUJPPSTDJWAU-KBPBESRZSA-N 1 0 323.412 2.377 10 0 DEAERO COC(=O)CCC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183895223 186228430 /nfs/dbraw/zinc/22/84/30/186228430.db2.gz KXSMVAJKUIBSHO-LBPRGKRZSA-N 1 0 316.195 2.025 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000262854512 186313420 /nfs/dbraw/zinc/31/34/20/186313420.db2.gz SSJCOGUNCWFBBO-IWCQGFGOSA-N 1 0 302.418 2.269 10 0 DEAERO CC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1O ZINC000617006717 362992043 /nfs/dbraw/zinc/99/20/43/362992043.db2.gz DTWOBWPFKQDHGR-ZDUSSCGKSA-N 1 0 304.390 2.197 10 0 DEAERO FCCC[NH+]1CCN(Cc2ccncc2Br)CC1 ZINC000626069919 366035442 /nfs/dbraw/zinc/03/54/42/366035442.db2.gz QQHCDSRZNVWJMG-UHFFFAOYSA-N 1 0 316.218 2.321 10 0 DEAERO CNc1cnc(C[C@H]2COCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000072388209 191146290 /nfs/dbraw/zinc/14/62/90/191146290.db2.gz CWFBMAWINVEZMS-MRXNPFEDSA-N 1 0 312.417 2.209 10 0 DEAERO CC(C)(C)CCS(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000300125827 539860429 /nfs/dbraw/zinc/86/04/29/539860429.db2.gz YTABUVYFMGWXFJ-ZIAGYGMSSA-N 1 0 302.484 2.216 10 0 DEAERO Cn1ccnc(N2CCC([NH2+]C/C=C/c3ccccc3)CC2)c1=O ZINC000328629417 539909214 /nfs/dbraw/zinc/90/92/14/539909214.db2.gz IEMULKUJWDZUFO-VMPITWQZSA-N 1 0 324.428 2.052 10 0 DEAERO Cc1nnc([C@H](C)N2CC[C@@H](Oc3cccnc3N(C)C)C2)o1 ZINC000329653756 539926457 /nfs/dbraw/zinc/92/64/57/539926457.db2.gz DZBAQUWVCPGZOF-WCQYABFASA-N 1 0 317.393 2.053 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(F)c2F)CC[N@@H+]1C ZINC000173274149 198204182 /nfs/dbraw/zinc/20/41/82/198204182.db2.gz FBUIDDIUZSPBHJ-QWRGUYRKSA-N 1 0 318.389 2.068 10 0 DEAERO COc1c(Cl)cccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333079451 539947973 /nfs/dbraw/zinc/94/79/73/539947973.db2.gz AMWWSHBRJSSDTH-QWRGUYRKSA-N 1 0 309.797 2.422 10 0 DEAERO C[C@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)[C@H]1CCCO1 ZINC000332907453 539943732 /nfs/dbraw/zinc/94/37/32/539943732.db2.gz XNFWWWRUXRDCAJ-RRQGHBQHSA-N 1 0 302.418 2.337 10 0 DEAERO C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333225329 539952382 /nfs/dbraw/zinc/95/23/82/539952382.db2.gz AXCNCKYHPXLQQN-GJZGRUSLSA-N 1 0 309.454 2.119 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173512331 198222368 /nfs/dbraw/zinc/22/23/68/198222368.db2.gz HDGTUBKBADDKNS-DOTOQJQBSA-N 1 0 317.433 2.081 10 0 DEAERO C[C@H](CCc1ccccc1F)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000173522572 198223974 /nfs/dbraw/zinc/22/39/74/198223974.db2.gz LDTMNMKMXACDEL-GDBMZVCRSA-N 1 0 322.424 2.183 10 0 DEAERO CC(C)[NH+](CCCNC(=O)Nc1ccc(=O)n(C)c1)C(C)C ZINC000173556950 198227326 /nfs/dbraw/zinc/22/73/26/198227326.db2.gz PHCDPDALIVESSE-UHFFFAOYSA-N 1 0 308.426 2.016 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)NCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000173598734 198231746 /nfs/dbraw/zinc/23/17/46/198231746.db2.gz STADQYKOLOOYPE-DOTOQJQBSA-N 1 0 318.465 2.247 10 0 DEAERO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000174004222 198279137 /nfs/dbraw/zinc/27/91/37/198279137.db2.gz IVLVLRWPPFJEIT-TZMCWYRMSA-N 1 0 323.412 2.458 10 0 DEAERO C[NH+](C)CCCNc1ccc(N)cc1I ZINC000085109628 192480695 /nfs/dbraw/zinc/48/06/95/192480695.db2.gz WJJTUXBQMPLYBW-UHFFFAOYSA-N 1 0 319.190 2.237 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(CCOc2ccc(SC)cc2)CC1 ZINC000174085492 198288773 /nfs/dbraw/zinc/28/87/73/198288773.db2.gz SNHBFCAYPNFBEM-HNNXBMFYSA-N 1 0 324.490 2.176 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2cccc(OC(C)C)c2)CC1 ZINC000174079486 198289065 /nfs/dbraw/zinc/28/90/65/198289065.db2.gz GNIUTVHXERAOMP-KRWDZBQOSA-N 1 0 306.450 2.362 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(OC(C)C)cc2)CC1 ZINC000174094120 198291246 /nfs/dbraw/zinc/29/12/46/198291246.db2.gz SMBOQFOPVUIABR-KRWDZBQOSA-N 1 0 306.450 2.362 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(CCCOc2ccc(C)c(C)c2)CC1 ZINC000174094680 198291641 /nfs/dbraw/zinc/29/16/41/198291641.db2.gz ZYRTXTUOHPAQTM-GOSISDBHSA-N 1 0 320.477 2.461 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000174440756 198335969 /nfs/dbraw/zinc/33/59/69/198335969.db2.gz XCXQAISUMFDEOY-GOEBONIOSA-N 1 0 317.433 2.493 10 0 DEAERO C[C@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)C(=O)c1cccc(F)c1 ZINC000174584712 198355869 /nfs/dbraw/zinc/35/58/69/198355869.db2.gz KJNVKYBEKMQTET-DOMZBBRYSA-N 1 0 306.381 2.197 10 0 DEAERO Cc1ccc2ncnc(NC[C@@H](O)C[NH+]3CCCCC3)c2c1 ZINC000174685105 198370589 /nfs/dbraw/zinc/37/05/89/198370589.db2.gz CLTHWYHDKHHDTL-CQSZACIVSA-N 1 0 300.406 2.197 10 0 DEAERO C=C/C(C)=C/CC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617703863 363227694 /nfs/dbraw/zinc/22/76/94/363227694.db2.gz QEIXTKWTQGMQLL-FTTDQBRBSA-N 1 0 314.429 2.392 10 0 DEAERO COC(=O)C(C)(C)C[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000182231575 199407387 /nfs/dbraw/zinc/40/73/87/199407387.db2.gz XJEUTVTYZUDKST-UHFFFAOYSA-N 1 0 304.394 2.301 10 0 DEAERO Cc1cn2c(C[NH2+]C3CCC(C(N)=O)CC3)c(C)nc2s1 ZINC000037152713 354166465 /nfs/dbraw/zinc/16/64/65/354166465.db2.gz WSRSYMJHNNVSRG-UHFFFAOYSA-N 1 0 306.435 2.146 10 0 DEAERO O=C(C=CC[NH+]1CCCC1)C=C1C(=O)OC2(CCCC2)OC1=O ZINC000048546633 354353639 /nfs/dbraw/zinc/35/36/39/354353639.db2.gz VKLJKSZCCZVNQG-PDGPDOJCSA-N 1 0 319.357 2.335 10 0 DEAERO Cc1noc(C)c1Cn1ccc2ccn(CC[NH+](C)C)c2c1=O ZINC000065224791 354679918 /nfs/dbraw/zinc/67/99/18/354679918.db2.gz VNINYUMZEQCMCL-UHFFFAOYSA-N 1 0 314.389 2.018 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC(C)(C)C[C@@H](C)O ZINC000073722211 191346976 /nfs/dbraw/zinc/34/69/76/191346976.db2.gz ZSNABQNWBJRWEL-ZIAGYGMSSA-N 1 0 301.475 2.059 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000078524543 355266300 /nfs/dbraw/zinc/26/63/00/355266300.db2.gz PSBZQTHINKFNSM-ZDUSSCGKSA-N 1 0 320.462 2.201 10 0 DEAERO C[C@H]1Oc2ccc([C@H](O)CC[NH+]3CCCCC3)cc2NC1=O ZINC000075218182 191443321 /nfs/dbraw/zinc/44/33/21/191443321.db2.gz WKUADQZAXXHIIW-IUODEOHRSA-N 1 0 304.390 2.315 10 0 DEAERO Cc1cn2cc(C(=O)NCCCC[NH+]3CCCC3)nc2s1 ZINC000075303830 191459260 /nfs/dbraw/zinc/45/92/60/191459260.db2.gz VOXHZLUKSCHSNF-UHFFFAOYSA-N 1 0 306.435 2.310 10 0 DEAERO C[C@H]1CN(c2ccc(C[NH2+]CC3=CCCOC3)cn2)C[C@H](C)O1 ZINC000126504055 355817520 /nfs/dbraw/zinc/81/75/20/355817520.db2.gz UZEYMDNXEDSIBF-GJZGRUSLSA-N 1 0 317.433 2.132 10 0 DEAERO Cc1cnn([C@@H]2CCCN(C(=O)N[C@H]3CC[C@H]([NH+](C)C)C3)C2)c1 ZINC000129598602 355836022 /nfs/dbraw/zinc/83/60/22/355836022.db2.gz OVSJLEYVSVWOOP-HRCADAONSA-N 1 0 319.453 2.021 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCCCOc1ccc(F)cc1 ZINC000139451191 355877330 /nfs/dbraw/zinc/87/73/30/355877330.db2.gz RTDOGIKKYUNMTK-HNNXBMFYSA-N 1 0 323.412 2.378 10 0 DEAERO COC[C@H]1CN(C(=O)CC2=CCCCC2)CC12CC[NH2+]CC2 ZINC000169782806 355982802 /nfs/dbraw/zinc/98/28/02/355982802.db2.gz NWTRQLNVYTZIQB-MRXNPFEDSA-N 1 0 306.450 2.352 10 0 DEAERO CC[C@H]1CN(Cc2cn(C)nc2C(C)(C)C)CC[N@@H+]1CCOC ZINC000180087482 356042196 /nfs/dbraw/zinc/04/21/96/356042196.db2.gz JACVPYKTNLJLIK-INIZCTEOSA-N 1 0 322.497 2.260 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)cc1F ZINC000182021096 356105254 /nfs/dbraw/zinc/10/52/54/356105254.db2.gz NDUWKMRCGVBGIP-QWRGUYRKSA-N 1 0 303.399 2.166 10 0 DEAERO CC(C)C[C@H](C)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000182034433 356105747 /nfs/dbraw/zinc/10/57/47/356105747.db2.gz JIDKCFNAGYFIGB-GJZGRUSLSA-N 1 0 313.486 2.155 10 0 DEAERO COC[C@@H](NCc1nnnn1C(C)C)c1ccc(F)c(F)c1 ZINC000181446409 356081603 /nfs/dbraw/zinc/08/16/03/356081603.db2.gz HPHPZEKTDVCNGX-CYBMUJFWSA-N 1 0 311.336 2.010 10 0 DEAERO NC(=[NH2+])[C@@H](NS(=O)(=O)CC1CCCCC1)C1CCCCC1 ZINC000079787056 191973624 /nfs/dbraw/zinc/97/36/24/191973624.db2.gz OHAHUZDRCBVDOS-AWEZNQCLSA-N 1 0 315.483 2.371 10 0 DEAERO CC(C)[C@H](C)CNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181813617 356097144 /nfs/dbraw/zinc/09/71/44/356097144.db2.gz HCUBCYFDHPJJGL-HUUCEWRRSA-N 1 0 313.486 2.013 10 0 DEAERO CNc1cc(N2CCC[C@@H]2C[NH2+]C2CCC(OC)CC2)ncn1 ZINC000183150907 356161762 /nfs/dbraw/zinc/16/17/62/356161762.db2.gz SZBXNMOVGHRWNU-SHARSMKWSA-N 1 0 319.453 2.034 10 0 DEAERO CC[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1nccs1 ZINC000080269031 192019528 /nfs/dbraw/zinc/01/95/28/192019528.db2.gz BLAPGMILSLBAKD-LDYMZIIASA-N 1 0 307.341 2.252 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)N(C)CCC[NH+](C)C)cc1F ZINC000185260667 356204726 /nfs/dbraw/zinc/20/47/26/356204726.db2.gz ONJYKVIJTJPBSJ-GFCCVEGCSA-N 1 0 311.401 2.488 10 0 DEAERO CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000185590948 356208203 /nfs/dbraw/zinc/20/82/03/356208203.db2.gz RMISRKWBYKWHIX-SJORKVTESA-N 1 0 308.466 2.382 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)c(C)s1 ZINC000226465189 356278846 /nfs/dbraw/zinc/27/88/46/356278846.db2.gz MJACAQWSXGZREH-GFCCVEGCSA-N 1 0 302.465 2.128 10 0 DEAERO [NH3+]C1(COc2ccc(S(=O)(=O)C(F)F)cc2)CCCC1 ZINC000080838660 192195858 /nfs/dbraw/zinc/19/58/58/192195858.db2.gz QJFDUBPHXCUBTJ-UHFFFAOYSA-N 1 0 305.346 2.333 10 0 DEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3cncc(Br)c3)C[C@@H]2C1 ZINC000398741943 283150077 /nfs/dbraw/zinc/15/00/77/283150077.db2.gz PSJFXYNHDUKTKK-SGMGOOAPSA-N 1 0 311.223 2.437 10 0 DEAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)Nc2cc(C(N)=O)ccc2Cl)C1 ZINC000080913778 192200276 /nfs/dbraw/zinc/20/02/76/192200276.db2.gz SLNXIHLMQYOUNL-RFAUZJTJSA-N 1 0 309.797 2.285 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@@H](c3cccs3)C2)C1 ZINC000246010225 356311468 /nfs/dbraw/zinc/31/14/68/356311468.db2.gz KUVZJVIOQCEEQM-ZIAGYGMSSA-N 1 0 323.462 2.173 10 0 DEAERO CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400808102 283159048 /nfs/dbraw/zinc/15/90/48/283159048.db2.gz WZXRKPQNJFPJFP-QLFBSQMISA-N 1 0 311.470 2.458 10 0 DEAERO C[C@@H]([NH2+]CCc1cn(C)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400796203 283158627 /nfs/dbraw/zinc/15/86/27/283158627.db2.gz SWMJRLLBHYGGRD-KGLIPLIRSA-N 1 0 322.453 2.198 10 0 DEAERO O=C(CC[N@H+]1CC[C@](O)(C(F)(F)F)C1)Nc1ccccc1F ZINC000081048208 192219911 /nfs/dbraw/zinc/21/99/11/192219911.db2.gz HDFHQHGHUSUEDP-CYBMUJFWSA-N 1 0 320.286 2.153 10 0 DEAERO C[NH2+][C@H](C)C(=O)Nc1cc(I)ccc1C ZINC000300984813 356391244 /nfs/dbraw/zinc/39/12/44/356391244.db2.gz SXUYHDQUNDPIPP-MRVPVSSYSA-N 1 0 318.158 2.146 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400465865 283156870 /nfs/dbraw/zinc/15/68/70/283156870.db2.gz VWZCFFGGNRAPTO-RFGFWPKPSA-N 1 0 300.443 2.238 10 0 DEAERO C[C@@H]1C[NH+]=C(Nc2ccccc2I)N1 ZINC000306563342 356404962 /nfs/dbraw/zinc/40/49/62/356404962.db2.gz VOCLGGRHXFUUSM-SSDOTTSWSA-N 1 0 301.131 2.051 10 0 DEAERO C[C@@]1(Cc2ncc(I)s2)CCC[NH2+]1 ZINC000307033611 356406997 /nfs/dbraw/zinc/40/69/97/356406997.db2.gz MBHKAPZDJQMQBQ-VIFPVBQESA-N 1 0 308.188 2.432 10 0 DEAERO COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000328627273 356463329 /nfs/dbraw/zinc/46/33/29/356463329.db2.gz FZKSZFOXAMPXHR-KYOSRNDESA-N 1 0 308.426 2.373 10 0 DEAERO C[N@H+](CC1CC1)C[C@@H]1CN(Cc2cccc3c[nH]nc32)CCO1 ZINC000328648044 356466958 /nfs/dbraw/zinc/46/69/58/356466958.db2.gz UICZDCJTDFRSBL-QGZVFWFLSA-N 1 0 314.433 2.106 10 0 DEAERO C[C@H](C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)[NH+]1CCCCCC1 ZINC000081450496 192269309 /nfs/dbraw/zinc/26/93/09/192269309.db2.gz RNWOBPCDMMGDSM-KGLIPLIRSA-N 1 0 312.454 2.440 10 0 DEAERO CCn1c(C[N@H+](C)C[C@H](C)C(=O)NC)nc2cc(F)ccc21 ZINC000081553999 192289011 /nfs/dbraw/zinc/28/90/11/192289011.db2.gz VFAKUHUWPDQYPS-NSHDSACASA-N 1 0 306.385 2.009 10 0 DEAERO CCC[NH2+]CCNC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000236851785 202037894 /nfs/dbraw/zinc/03/78/94/202037894.db2.gz LONDSHVHMICQAT-UHFFFAOYSA-N 1 0 306.797 2.255 10 0 DEAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@@H](C)CCOC)c1 ZINC000081717772 192316224 /nfs/dbraw/zinc/31/62/24/192316224.db2.gz GTHWBSLHFVSPNL-STQMWFEESA-N 1 0 314.451 2.060 10 0 DEAERO CCC[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1CCS(C)(=O)=O ZINC000085530272 192514776 /nfs/dbraw/zinc/51/47/76/192514776.db2.gz FPYZGVLBHAMIEB-JKSUJKDBSA-N 1 0 316.511 2.054 10 0 DEAERO c1cc(Cc2noc(C34CCC[NH+]3CCC4)n2)cc2c1OCO2 ZINC000351192032 356629360 /nfs/dbraw/zinc/62/93/60/356629360.db2.gz MHHJMBQKJQRORP-UHFFFAOYSA-N 1 0 313.357 2.474 10 0 DEAERO CCc1cnc(CCNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000237008788 202119614 /nfs/dbraw/zinc/11/96/14/202119614.db2.gz OLCTWTPZDBNOSN-QWHCGFSZSA-N 1 0 309.479 2.390 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382429886 356674799 /nfs/dbraw/zinc/67/47/99/356674799.db2.gz PCAPBEKUXRXEFC-GHMZBOCLSA-N 1 0 302.827 2.054 10 0 DEAERO C[C@](O)(C[NH3+])Cc1nc2ccc(Br)cc2s1 ZINC000086479260 192575025 /nfs/dbraw/zinc/57/50/25/192575025.db2.gz WBZGIFNWLIHCPY-LLVKDONJSA-N 1 0 301.209 2.311 10 0 DEAERO N#Cc1cncnc1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379665896 356668032 /nfs/dbraw/zinc/66/80/32/356668032.db2.gz URIXRJIJAOEFTQ-KRWDZBQOSA-N 1 0 307.401 2.237 10 0 DEAERO OCCN1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000399241504 356721894 /nfs/dbraw/zinc/72/18/94/356721894.db2.gz UIVYFLSZKYAIQH-UHFFFAOYSA-N 1 0 319.268 2.057 10 0 DEAERO COC(=O)c1sccc1CN1CC[NH+](CCCF)CC1 ZINC000402666373 356729497 /nfs/dbraw/zinc/72/94/97/356729497.db2.gz MLRYVXJDZLGTTC-UHFFFAOYSA-N 1 0 300.399 2.012 10 0 DEAERO CN(C)c1ccc([C@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000409421944 356736574 /nfs/dbraw/zinc/73/65/74/356736574.db2.gz AEXFTXSFDBNRHA-CABCVRRESA-N 1 0 305.422 2.333 10 0 DEAERO CC[NH2+]CCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)s1 ZINC000088912536 192652446 /nfs/dbraw/zinc/65/24/46/192652446.db2.gz GTVNJYGVNFLOQM-LBPRGKRZSA-N 1 0 316.492 2.321 10 0 DEAERO CCC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(CC)[C@@H](C)CC ZINC000088950919 192666042 /nfs/dbraw/zinc/66/60/42/192666042.db2.gz CNKOWWDBKNEISR-GJZGRUSLSA-N 1 0 319.515 2.206 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000088926084 192660147 /nfs/dbraw/zinc/66/01/47/192660147.db2.gz ZOPMKIWZXAUCPO-ZIAGYGMSSA-N 1 0 310.463 2.400 10 0 DEAERO C/C=C\c1ccc(OCC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(OC)c1 ZINC000581661613 357225154 /nfs/dbraw/zinc/22/51/54/357225154.db2.gz CHMWUYQNSBAHPZ-CWHGNCJQSA-N 1 0 318.417 2.303 10 0 DEAERO CCC[NH2+]Cc1ccc(OC)c(S(=O)(=O)N(C)CCC)c1 ZINC000088947230 192665067 /nfs/dbraw/zinc/66/50/67/192665067.db2.gz QGKUCHVOJLPMMM-UHFFFAOYSA-N 1 0 314.451 2.225 10 0 DEAERO CCCCN(C1CC1)S(=O)(=O)c1cc(C[NH3+])sc1C ZINC000088995408 192687897 /nfs/dbraw/zinc/68/78/97/192687897.db2.gz CMLFMFCUMDJUNA-UHFFFAOYSA-N 1 0 302.465 2.468 10 0 DEAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CSCCS1 ZINC000261707516 295945243 /nfs/dbraw/zinc/94/52/43/295945243.db2.gz KELNLVGCTYFQBI-LBPRGKRZSA-N 1 0 312.435 2.259 10 0 DEAERO c1ncn(-c2ccc(C[NH2+]Cc3[nH]nc4ccccc43)cc2)n1 ZINC000591704940 357752463 /nfs/dbraw/zinc/75/24/63/357752463.db2.gz BTLQOSMRVPZKQD-UHFFFAOYSA-N 1 0 304.357 2.433 10 0 DEAERO CC(=O)N1CCC([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000592378393 357869956 /nfs/dbraw/zinc/86/99/56/357869956.db2.gz VUNUBJJQFWLNIK-DZGCQCFKSA-N 1 0 310.438 2.097 10 0 DEAERO O=C(Nc1ccc(C(F)(F)F)nc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179375007 199024153 /nfs/dbraw/zinc/02/41/53/199024153.db2.gz ZCCDQHZOKQCTIK-LLVKDONJSA-N 1 0 314.311 2.412 10 0 DEAERO COc1ccc(C[C@@H](C)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000179342992 199018018 /nfs/dbraw/zinc/01/80/18/199018018.db2.gz YVUOMNVHYPYFHC-GDBMZVCRSA-N 1 0 302.418 2.180 10 0 DEAERO CC[C@H](C)[C@H](O)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179464592 199039939 /nfs/dbraw/zinc/03/99/39/199039939.db2.gz XNLRIEVQHRGXRI-RKTXRCNFSA-N 1 0 319.449 2.138 10 0 DEAERO CCCCN(CCO)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179473305 199042329 /nfs/dbraw/zinc/04/23/29/199042329.db2.gz ZSMPEKLQGUKXPK-IAGOWNOFSA-N 1 0 319.449 2.236 10 0 DEAERO CC(C)CN1C[C@H]2C[N@H+](CCc3ccccc3)CCN2C1=O ZINC000488750023 283304964 /nfs/dbraw/zinc/30/49/64/283304964.db2.gz MYRAOFLROFFSLQ-QGZVFWFLSA-N 1 0 301.434 2.307 10 0 DEAERO Cc1cc2c(cc1NC(=O)N1C[C@@H]3CCC[N@H+]3C[C@@H]1C)OCO2 ZINC000180099245 199116477 /nfs/dbraw/zinc/11/64/77/199116477.db2.gz QLHKLVBUDIFZDK-STQMWFEESA-N 1 0 317.389 2.424 10 0 DEAERO CCN(C)C(=O)CC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180670787 199194104 /nfs/dbraw/zinc/19/41/04/199194104.db2.gz TXTWGPCCQXFNGD-CQSZACIVSA-N 1 0 300.406 2.391 10 0 DEAERO C[C@@H](NC1=[NH+]CCCN1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594673538 358315078 /nfs/dbraw/zinc/31/50/78/358315078.db2.gz OAEQVFDUCIAKHH-FRRDWIJNSA-N 1 0 309.454 2.318 10 0 DEAERO CC(C)(C)OC(=O)[C@](C)(CNC1=[NH+]CCCN1)c1ccccc1 ZINC000594672730 358315315 /nfs/dbraw/zinc/31/53/15/358315315.db2.gz ADTQUKYWMMUDGA-GOSISDBHSA-N 1 0 317.433 2.225 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(Cl)cn2)CC[N@@H+]1C ZINC000180846224 199218206 /nfs/dbraw/zinc/21/82/06/199218206.db2.gz FNEBQBNNJMNIBH-FZMZJTMJSA-N 1 0 310.829 2.359 10 0 DEAERO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(Cl)cn2)C1 ZINC000180900080 199225643 /nfs/dbraw/zinc/22/56/43/199225643.db2.gz IOZAPGPPEGQQHY-LBPRGKRZSA-N 1 0 310.829 2.266 10 0 DEAERO [NH3+]CCCCNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000181073051 199248840 /nfs/dbraw/zinc/24/88/40/199248840.db2.gz MUAMLRYEHBDUHS-STQMWFEESA-N 1 0 311.223 2.408 10 0 DEAERO O=C(CSCc1ccc(Cl)cc1)NCC12CC(C1)C[NH2+]2 ZINC000595950748 358585642 /nfs/dbraw/zinc/58/56/42/358585642.db2.gz LJFOVQJUCPALBC-UHFFFAOYSA-N 1 0 310.850 2.441 10 0 DEAERO C[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(Cl)c(C[NH3+])c1Cl ZINC000089024632 192704534 /nfs/dbraw/zinc/70/45/34/192704534.db2.gz HYNLFXSTQXKMDU-HZGVNTEJSA-N 1 0 309.218 2.139 10 0 DEAERO CC[C@H](C)CNS(=O)(=O)c1cc(C[NH2+]C)n(C(C)C)c1 ZINC000089025563 192705045 /nfs/dbraw/zinc/70/50/45/192705045.db2.gz VNVWWRMVRDOHKO-LBPRGKRZSA-N 1 0 301.456 2.113 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@H](C)CC2)cs1 ZINC000089036704 192712665 /nfs/dbraw/zinc/71/26/65/192712665.db2.gz QVUUIKFDLXBLAB-NSHDSACASA-N 1 0 302.465 2.278 10 0 DEAERO C[NH2+]CCCc1ccc(S(=O)(=O)N2CCCC2(C)C)cc1 ZINC000089035037 192710896 /nfs/dbraw/zinc/71/08/96/192710896.db2.gz CDZODCVGQIYJKL-UHFFFAOYSA-N 1 0 310.463 2.402 10 0 DEAERO COc1cc(CC[NH3+])cc(Cl)c1OCc1cc(C)nn1C ZINC000089201891 192741373 /nfs/dbraw/zinc/74/13/73/192741373.db2.gz JTMFENNFJUFPRW-UHFFFAOYSA-N 1 0 309.797 2.471 10 0 DEAERO CCc1nn(C)c(CNCC[N@H+](C)C(C)C)c1Br ZINC000089318692 192765620 /nfs/dbraw/zinc/76/56/20/192765620.db2.gz LAIKRFPIBNTLAS-UHFFFAOYSA-N 1 0 317.275 2.175 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089456852 192793281 /nfs/dbraw/zinc/79/32/81/192793281.db2.gz KJKBROUQURJYHT-RYUDHWBXSA-N 1 0 310.360 2.179 10 0 DEAERO CCOc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc(Cl)c1O ZINC000186777467 200008620 /nfs/dbraw/zinc/00/86/20/200008620.db2.gz REJFGZUXWBPPDW-LLVKDONJSA-N 1 0 312.797 2.220 10 0 DEAERO C[C@@H](NC(=O)C[N@H+](C)CC1(CO)CC1)c1ccccc1Cl ZINC000186783435 200009449 /nfs/dbraw/zinc/00/94/49/200009449.db2.gz UNNFXTLFWTXKKX-GFCCVEGCSA-N 1 0 310.825 2.222 10 0 DEAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000186833626 200019460 /nfs/dbraw/zinc/01/94/60/200019460.db2.gz ICGNIURTWZAOSH-BBRMVZONSA-N 1 0 304.434 2.477 10 0 DEAERO C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1nccs1 ZINC000187023342 200049279 /nfs/dbraw/zinc/04/92/79/200049279.db2.gz UNVWVAOHUOZPQP-QWHCGFSZSA-N 1 0 308.451 2.126 10 0 DEAERO CCSc1cc(CNC(=O)N[C@H]2CCC[N@H+](CC)C2)ccn1 ZINC000187068138 200055683 /nfs/dbraw/zinc/05/56/83/200055683.db2.gz SAGIFZXTLFUJEE-AWEZNQCLSA-N 1 0 322.478 2.477 10 0 DEAERO CO[C@H]1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC000187424559 200110895 /nfs/dbraw/zinc/11/08/95/200110895.db2.gz KATFFGUGYLNGBI-RDJZCZTQSA-N 1 0 319.449 2.185 10 0 DEAERO CC(C)N(C(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)C(C)C ZINC000188064704 200188753 /nfs/dbraw/zinc/18/87/53/200188753.db2.gz NNHQMXPRFDZETD-HOTGVXAUSA-N 1 0 324.490 2.401 10 0 DEAERO C[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc2c(c1)CCCC2 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300.402 2.223 10 0 DEAERO CO[C@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2F)CC[C@H]1C ZINC000189316911 200381573 /nfs/dbraw/zinc/38/15/73/200381573.db2.gz VZYHIEMGBHSVJW-CJNGLKHVSA-N 1 0 308.397 2.141 10 0 DEAERO CO[C@H]1C[N@H+](CC(=O)NCc2ccc(Cl)cc2)CC[C@@H]1C ZINC000189328044 200381818 /nfs/dbraw/zinc/38/18/18/200381818.db2.gz GBNRCORDMJCMMS-WFASDCNBSA-N 1 0 310.825 2.313 10 0 DEAERO O=C(NCCOCC1CCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000516944159 283531141 /nfs/dbraw/zinc/53/11/41/283531141.db2.gz KLHMAJYJNDJWBN-UHFFFAOYSA-N 1 0 323.481 2.463 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cscc1C ZINC000276093135 212670550 /nfs/dbraw/zinc/67/05/50/212670550.db2.gz FJTVQRADAKPABD-OLZOCXBDSA-N 1 0 321.446 2.080 10 0 DEAERO OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443619208 238116904 /nfs/dbraw/zinc/11/69/04/238116904.db2.gz BPQIFVZNBGPPIN-KBPBESRZSA-N 1 0 317.351 2.456 10 0 DEAERO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@H](C)O1 ZINC000443676460 238119854 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Cc1cc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c(Cl)cc1F ZINC000193450347 201053261 /nfs/dbraw/zinc/05/32/61/201053261.db2.gz DNZQIKVWQJWLBI-BXKDBHETSA-N 1 0 320.817 2.206 10 0 DEAERO Cc1c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cnn1Cc1ccccc1 ZINC000193627733 201090614 /nfs/dbraw/zinc/09/06/14/201090614.db2.gz SMOPGCJVCWXDEX-DYVFJYSZSA-N 1 0 312.417 2.110 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000194150633 201186586 /nfs/dbraw/zinc/18/65/86/201186586.db2.gz JSJKINLVWLXSRU-CYBMUJFWSA-N 1 0 323.824 2.187 10 0 DEAERO COC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1 ZINC000194094655 201176548 /nfs/dbraw/zinc/17/65/48/201176548.db2.gz VEBWEWBDZWCNLD-KGLIPLIRSA-N 1 0 306.797 2.224 10 0 DEAERO CCCNC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611406071 361593431 /nfs/dbraw/zinc/59/34/31/361593431.db2.gz UZONWQBDBZGTNC-HNNXBMFYSA-N 1 0 306.406 2.043 10 0 DEAERO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccsc1C(F)(F)F ZINC000527660663 283686247 /nfs/dbraw/zinc/68/62/47/283686247.db2.gz 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/nfs/dbraw/zinc/88/35/24/364883524.db2.gz UHHXMAKGVNQGNU-UHFFFAOYSA-N 1 0 311.476 2.228 10 0 DEAERO CCCc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)n(C)n1 ZINC000091094324 192987081 /nfs/dbraw/zinc/98/70/81/192987081.db2.gz XWEIXKYLXKAQRT-UHFFFAOYSA-N 1 0 319.453 2.465 10 0 DEAERO CC(C)n1cncc1C[NH2+]C[C@@H]1CCCO[C@H]1c1cn[nH]c1 ZINC000623770299 365167734 /nfs/dbraw/zinc/16/77/34/365167734.db2.gz GNOCVUUAUUTEKU-XJKSGUPXSA-N 1 0 303.410 2.445 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1SC[C@@H](C)CO)OCCO2 ZINC000091260572 193028479 /nfs/dbraw/zinc/02/84/79/193028479.db2.gz VQPSXOWUIHVVHP-BFHYXJOUSA-N 1 0 303.468 2.012 10 0 DEAERO COCC[NH2+]CC[C@](C)(O)c1ccccc1OC(F)(F)F ZINC000091523858 193068567 /nfs/dbraw/zinc/06/85/67/193068567.db2.gz RVAKGWLSHCCQIJ-ZDUSSCGKSA-N 1 0 307.312 2.419 10 0 DEAERO C[NH2+][C@@H](c1occc1Br)C(C)(C)N1CCOCC1 ZINC000091566557 193073608 /nfs/dbraw/zinc/07/36/08/193073608.db2.gz GTYODDJFEKZPTQ-LBPRGKRZSA-N 1 0 317.227 2.413 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)C(C)(C)N1CCCCC1 ZINC000091565426 193073888 /nfs/dbraw/zinc/07/38/88/193073888.db2.gz ZIROSEOMXPTVFA-HNNXBMFYSA-N 1 0 318.527 2.444 10 0 DEAERO COc1ccc(C[C@H](O)C[NH2+]C(C)C)cc1Br ZINC000091466247 193059843 /nfs/dbraw/zinc/05/98/43/193059843.db2.gz PLHZSDCJOUQHKH-NSHDSACASA-N 1 0 302.212 2.359 10 0 DEAERO CCC[NH2+]C[C@@H](O)Cc1c(Br)c(CC)nn1CC ZINC000091467841 193060808 /nfs/dbraw/zinc/06/08/08/193060808.db2.gz XEGGDWHZKKEXCX-JTQLQIEISA-N 1 0 318.259 2.131 10 0 DEAERO CCn1nc(C)c(Br)c1COC1CC(C[NH2+]C)C1 ZINC000091472749 193061153 /nfs/dbraw/zinc/06/11/53/193061153.db2.gz LTHRMHLNENTARB-UHFFFAOYSA-N 1 0 316.243 2.489 10 0 DEAERO CSC1(C[NH3+])CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000091471459 193061211 /nfs/dbraw/zinc/06/12/11/193061211.db2.gz CVDNPPFJYKRRAN-UHFFFAOYSA-N 1 0 300.497 2.496 10 0 DEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)C1(N(C)C)CCCCCC1 ZINC000091654554 193084692 /nfs/dbraw/zinc/08/46/92/193084692.db2.gz PFVRUJKLEGDARW-AWEZNQCLSA-N 1 0 304.500 2.054 10 0 DEAERO C[C@H](NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)[C@H]1COc2ccccc21 ZINC000091709080 193096312 /nfs/dbraw/zinc/09/63/12/193096312.db2.gz MQIPIUUZPNBYBS-KNCOVGOOSA-N 1 0 317.433 2.333 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)s1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721163 193096975 /nfs/dbraw/zinc/09/69/75/193096975.db2.gz NTKUFFUYFLOIMP-RAIGVLPGSA-N 1 0 300.855 2.395 10 0 DEAERO CN[C@H](c1ccc(F)c(F)c1F)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721335 193097158 /nfs/dbraw/zinc/09/71/58/193097158.db2.gz IGAXDHLQPVNMDD-DDHOLCJHSA-N 1 0 300.324 2.228 10 0 DEAERO C[NH2+][C@H](Cc1cc(OC)ccc1Br)CN(C)C ZINC000091719669 193097215 /nfs/dbraw/zinc/09/72/15/193097215.db2.gz TVRKMAWAEVQDNP-LLVKDONJSA-N 1 0 301.228 2.150 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CN(C)CCO1 ZINC000091717491 193097387 /nfs/dbraw/zinc/09/73/87/193097387.db2.gz PYZQOOURIRWQJP-KBPBESRZSA-N 1 0 302.340 2.167 10 0 DEAERO CCN(CC)C1([C@@H]([NH3+])CCCS(=O)(=O)CC)CCCC1 ZINC000091639063 193082178 /nfs/dbraw/zinc/08/21/78/193082178.db2.gz IUMBNTOHJNAMHG-AWEZNQCLSA-N 1 0 304.500 2.183 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000091850616 193117982 /nfs/dbraw/zinc/11/79/82/193117982.db2.gz MHQCTQFKDKNWIC-UHFFFAOYSA-N 1 0 300.399 2.106 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(F)cc1F ZINC000091850563 193118346 /nfs/dbraw/zinc/11/83/46/193118346.db2.gz UWBXZWTYLJYRSR-UHFFFAOYSA-N 1 0 318.389 2.245 10 0 DEAERO CO[C@@H](C)c1noc(CN2CCC[N@H+](CC(C)(C)C)CC2)n1 ZINC000091867625 193120180 /nfs/dbraw/zinc/12/01/80/193120180.db2.gz GIGFQFMIGADINI-ZDUSSCGKSA-N 1 0 310.442 2.331 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(Cl)c1 ZINC000624406647 365411617 /nfs/dbraw/zinc/41/16/17/365411617.db2.gz IIBMKECQLGWQOS-GHMZBOCLSA-N 1 0 302.827 2.067 10 0 DEAERO CCS(=O)(=O)c1ccccc1N(C)C1CCC([NH2+]C)CC1 ZINC000091870888 193121082 /nfs/dbraw/zinc/12/10/82/193121082.db2.gz NJRGIALEJYZDAQ-UHFFFAOYSA-N 1 0 310.463 2.447 10 0 DEAERO COc1cc(F)cc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000091927975 193127803 /nfs/dbraw/zinc/12/78/03/193127803.db2.gz CYSVPRBYQUHEKU-HNNXBMFYSA-N 1 0 321.396 2.214 10 0 DEAERO O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449729828 241000479 /nfs/dbraw/zinc/00/04/79/241000479.db2.gz BROBKHWZBGPSRC-YLUJIRGKSA-N 1 0 306.356 2.279 10 0 DEAERO CCOc1nc2cc(C(=O)NC[C@@H]3CC[N@H+](CC)C3)ccc2[nH]1 ZINC000449811880 241110393 /nfs/dbraw/zinc/11/03/93/241110393.db2.gz ASEULRPKBDREGS-LBPRGKRZSA-N 1 0 316.405 2.033 10 0 DEAERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cnns3)C1)CCCC2 ZINC000275329648 212274501 /nfs/dbraw/zinc/27/45/01/212274501.db2.gz PYQCPQHEBAMVSS-NSHDSACASA-N 1 0 317.418 2.009 10 0 DEAERO C[C@@H](NC(=O)[C@H]1CCCC[C@]1(C)[NH3+])c1nnc2n1CCCCC2 ZINC000262994408 296101115 /nfs/dbraw/zinc/10/11/15/296101115.db2.gz ODBJTSHWEHRKOZ-XNJGSVPQSA-N 1 0 319.453 2.089 10 0 DEAERO CO[C@@H]1CN(Cc2csc(Br)c2)[C@](C)(C[NH3+])C1 ZINC000630364801 367611896 /nfs/dbraw/zinc/61/18/96/367611896.db2.gz SYVUWLMZQCHDNW-JQWIXIFHSA-N 1 0 319.268 2.449 10 0 DEAERO Brc1ccccc1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000630585279 367739608 /nfs/dbraw/zinc/73/96/08/367739608.db2.gz APSNKNNWMIFFMA-LLVKDONJSA-N 1 0 321.222 2.241 10 0 DEAERO Brc1ccc(-n2cc(C[C@H]3CC[NH2+]C3)nn2)cc1 ZINC000630585466 367739876 /nfs/dbraw/zinc/73/98/76/367739876.db2.gz OLXPMSVQEUCMGL-SNVBAGLBSA-N 1 0 307.195 2.182 10 0 DEAERO Brc1ccccc1-n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000630587679 367741939 /nfs/dbraw/zinc/74/19/39/367741939.db2.gz XKAFJYOCPJIKRE-SNVBAGLBSA-N 1 0 307.195 2.182 10 0 DEAERO c1c(C[NH2+]C2CCCC2)nnn1C[C@H]1COc2ccccc2O1 ZINC000630604375 367753285 /nfs/dbraw/zinc/75/32/85/367753285.db2.gz VYGIXZFYGQDQNQ-HNNXBMFYSA-N 1 0 314.389 2.150 10 0 DEAERO C[NH2+]Cc1sc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc1C ZINC000092113840 193161181 /nfs/dbraw/zinc/16/11/81/193161181.db2.gz JXIGPMXMWFNAJZ-QWRGUYRKSA-N 1 0 302.465 2.052 10 0 DEAERO CC(C)[NH2+]Cc1ccccc1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113963 193161602 /nfs/dbraw/zinc/16/16/02/193161602.db2.gz XSURBBPRMILURB-OKILXGFUSA-N 1 0 310.463 2.461 10 0 DEAERO CCCCNS(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1F ZINC000092115830 193163019 /nfs/dbraw/zinc/16/30/19/193163019.db2.gz VAWZFSRGBUGNCG-UHFFFAOYSA-N 1 0 302.415 2.402 10 0 DEAERO CC(C)C[C@@H](C)N(C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115962 193164271 /nfs/dbraw/zinc/16/42/71/193164271.db2.gz UXBZEULOQBOTKU-LLVKDONJSA-N 1 0 302.415 2.340 10 0 DEAERO c1cncc([C@@H]2CCC[C@H]([NH2+]C3CN(c4ccncn4)C3)C2)c1 ZINC000631257518 368107417 /nfs/dbraw/zinc/10/74/17/368107417.db2.gz ZMTLYJIGGQVECR-ZBFHGGJFSA-N 1 0 309.417 2.376 10 0 DEAERO CN(C)c1ccc(Br)cc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092203624 193172955 /nfs/dbraw/zinc/17/29/55/193172955.db2.gz RAXFXFNCEJRMKR-MWLCHTKSSA-N 1 0 324.222 2.357 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000092205522 193173240 /nfs/dbraw/zinc/17/32/40/193173240.db2.gz QJXADWXGHGGJJX-CFVMTHIKSA-N 1 0 306.793 2.143 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092239806 193178636 /nfs/dbraw/zinc/17/86/36/193178636.db2.gz TUXUKIKQABWPEG-MRVWCRGKSA-N 1 0 302.443 2.332 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)N2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000631831814 368409373 /nfs/dbraw/zinc/40/93/73/368409373.db2.gz PJDYKINSJXBWLK-XJKSGUPXSA-N 1 0 317.433 2.420 10 0 DEAERO CC(=O)c1ccc(NC(=O)CCN2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000631832954 368410515 /nfs/dbraw/zinc/41/05/15/368410515.db2.gz QAKSEYHKVMKIOV-MRXNPFEDSA-N 1 0 317.433 2.421 10 0 DEAERO c1ccc(-c2noc(CCN3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886118 368442418 /nfs/dbraw/zinc/44/24/18/368442418.db2.gz FXIXDTLOETZCDI-CVEARBPZSA-N 1 0 312.417 2.353 10 0 DEAERO C(c1nnc(C2CC2)n1C1CC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889576 368444896 /nfs/dbraw/zinc/44/48/96/368444896.db2.gz HOMDLBIBAOGSLY-ZFWWWQNUSA-N 1 0 301.438 2.064 10 0 DEAERO Brc1scnc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890574 368445284 /nfs/dbraw/zinc/44/52/84/368445284.db2.gz QSRRLFBMYKINAJ-KOLCDFICSA-N 1 0 316.268 2.480 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888458 368445468 /nfs/dbraw/zinc/44/54/68/368445468.db2.gz ZNBJMRKBLQSZCH-MSOLQXFVSA-N 1 0 315.461 2.109 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000631969039 368471974 /nfs/dbraw/zinc/47/19/74/368471974.db2.gz ZQBNGXYZMAEKFT-BDAKNGLRSA-N 1 0 323.245 2.209 10 0 DEAERO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)CC2CCCCC2)C1 ZINC000631979919 368478878 /nfs/dbraw/zinc/47/88/78/368478878.db2.gz YNPYJSSQJRWBKC-AWEZNQCLSA-N 1 0 302.484 2.264 10 0 DEAERO [NH3+]CC1(NS(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000631981429 368479952 /nfs/dbraw/zinc/47/99/52/368479952.db2.gz TXDQLYZMACFDOE-UHFFFAOYSA-N 1 0 308.856 2.341 10 0 DEAERO CC(C)(O)CN1CC[NH+](C[C@H]2Cc3ccccc3S2)CC1 ZINC000092270276 193183791 /nfs/dbraw/zinc/18/37/91/193183791.db2.gz FYSVEGHZBGWUCJ-OAHLLOKOSA-N 1 0 306.475 2.092 10 0 DEAERO c1ccc2c(c1)SC[C@@H]2C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000092275824 193184076 /nfs/dbraw/zinc/18/40/76/193184076.db2.gz VGWPICGKXPPWPY-ZNMIVQPWSA-N 1 0 304.459 2.329 10 0 DEAERO CC[NH2+]CCn1nnnc1SC[C@@H]1CSc2ccccc21 ZINC000092295318 193186065 /nfs/dbraw/zinc/18/60/65/193186065.db2.gz KWQJXIWVSZAKKM-NSHDSACASA-N 1 0 321.475 2.264 10 0 DEAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1nc2c(s1)CCCC2 ZINC000093371632 296131239 /nfs/dbraw/zinc/13/12/39/296131239.db2.gz FIKPEJKMVQNTEO-QWHCGFSZSA-N 1 0 309.479 2.393 10 0 DEAERO C[NH2+][C@@H](C)CNC(=O)c1ccccc1OCc1c(C)noc1C ZINC000261784641 203116361 /nfs/dbraw/zinc/11/63/61/203116361.db2.gz QJVXWNBTQTXXNJ-NSHDSACASA-N 1 0 317.389 2.208 10 0 DEAERO O=C(CC/C=C/c1ccccc1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452362153 244194684 /nfs/dbraw/zinc/19/46/84/244194684.db2.gz KNEVOTWQDYHFRL-YDMXYTAQSA-N 1 0 316.445 2.443 10 0 DEAERO CS(=O)(=O)CCC[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000093151682 193208379 /nfs/dbraw/zinc/20/83/79/193208379.db2.gz YIUQFTCNSKRQCT-LLVKDONJSA-N 1 0 320.252 2.316 10 0 DEAERO CCS(=O)(=O)CC[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000093167307 193209358 /nfs/dbraw/zinc/20/93/58/193209358.db2.gz GHABBWSQZINCIU-NSHDSACASA-N 1 0 320.252 2.316 10 0 DEAERO CS(=O)(=O)CCC[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000093167287 193209699 /nfs/dbraw/zinc/20/96/99/193209699.db2.gz CXLCZOWNGYGFQU-NSHDSACASA-N 1 0 320.252 2.316 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000262304201 203256270 /nfs/dbraw/zinc/25/62/70/203256270.db2.gz LPHCIYCBVROGLE-MRXNPFEDSA-N 1 0 323.462 2.323 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@]12CC[NH2+]C[C@@H]2c1ccc(F)cc1 ZINC000093155246 193209954 /nfs/dbraw/zinc/20/99/54/193209954.db2.gz MMYOVYSVPNZJDH-BZUAXINKSA-N 1 0 311.422 2.486 10 0 DEAERO C[C@H]1C[C@@H](C(=O)NCc2ccc(OC(C)(C)C)nc2)CC[NH2+]1 ZINC000262427474 203291136 /nfs/dbraw/zinc/29/11/36/203291136.db2.gz RIDRRWGOEDZQNQ-JSGCOSHPSA-N 1 0 305.422 2.263 10 0 DEAERO Cc1ccc([C@@H]2CCCC[N@@H+]2CCCOC(=O)NC(N)=O)o1 ZINC000093175955 193211719 /nfs/dbraw/zinc/21/17/19/193211719.db2.gz MHPXEZPJTWWUGI-LBPRGKRZSA-N 1 0 309.366 2.310 10 0 DEAERO CCc1nn(C)c(CO[C@@H]2CC[C@@H]([NH3+])C2)c1Br ZINC000093217109 193217278 /nfs/dbraw/zinc/21/72/78/193217278.db2.gz IZHDMYTZSUSKTM-RKDXNWHRSA-N 1 0 302.216 2.141 10 0 DEAERO CCn1nc(C)c(Br)c1CO[C@@H]1CC[C@@H]([NH3+])C1 ZINC000093216632 193217764 /nfs/dbraw/zinc/21/77/64/193217764.db2.gz ABKJYIDCQWXPEC-NXEZZACHSA-N 1 0 302.216 2.370 10 0 DEAERO CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)C(OCC)OCC ZINC000093307132 193228301 /nfs/dbraw/zinc/22/83/01/193228301.db2.gz SEWJBVZHUFRGHW-LLVKDONJSA-N 1 0 303.834 2.302 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)C1 ZINC000262657475 203368992 /nfs/dbraw/zinc/36/89/92/203368992.db2.gz ZNYNUQZNTVMEPV-RFQIPJPRSA-N 1 0 308.447 2.290 10 0 DEAERO COc1ccc([C@@H]2CNC(=[NH2+])N2C2CC2)cc1Br ZINC000093373865 193241052 /nfs/dbraw/zinc/24/10/52/193241052.db2.gz XWGHWSRQBACKQX-NSHDSACASA-N 1 0 310.195 2.292 10 0 DEAERO NC1=[NH+]C[C@@H]([C@H]2CCCOC2)N1c1cccc(Br)c1 ZINC000093387195 193241861 /nfs/dbraw/zinc/24/18/61/193241861.db2.gz WOSIZRIJQMBXHK-GWCFXTLKSA-N 1 0 324.222 2.379 10 0 DEAERO CCC[NH2+][C@H]1CCC[C@H]1CCS(=O)(=O)C1CCOCC1 ZINC000093624062 193275027 /nfs/dbraw/zinc/27/50/27/193275027.db2.gz BYUPEMPLOWDDTK-ZFWWWQNUSA-N 1 0 303.468 2.139 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSCCCOC ZINC000093631131 193277063 /nfs/dbraw/zinc/27/70/63/193277063.db2.gz GPPDMLNDKOVKNJ-ZFWWWQNUSA-N 1 0 302.484 2.170 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H]([NH2+]C)[C@@H](C)OC ZINC000093690235 193290047 /nfs/dbraw/zinc/29/00/47/193290047.db2.gz JJCUBOOLMLQFKE-NXEZZACHSA-N 1 0 304.232 2.139 10 0 DEAERO C[C@@]([NH3+])(Cc1ccccc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699210 193293383 /nfs/dbraw/zinc/29/33/83/193293383.db2.gz PRVGTIYIIKLYGC-JKSUJKDBSA-N 1 0 310.463 2.008 10 0 DEAERO CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)CC(C)(C)C ZINC000093700326 193293881 /nfs/dbraw/zinc/29/38/81/193293881.db2.gz FFXRZTNUGAFDRI-ZIAGYGMSSA-N 1 0 304.500 2.462 10 0 DEAERO CC[C@]1(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCCCC[NH2+]1 ZINC000093700773 193294528 /nfs/dbraw/zinc/29/45/28/193294528.db2.gz BZSFZHGTVMVXAA-LSDHHAIUSA-N 1 0 302.484 2.361 10 0 DEAERO CC[NH2+][C@@H]1CCC[C@@H](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093702229 193295307 /nfs/dbraw/zinc/29/53/07/193295307.db2.gz STZXGAMIOHMUNS-SOUVJXGZSA-N 1 0 302.484 2.216 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2ccc(F)cc2F)C1 ZINC000093776425 193304816 /nfs/dbraw/zinc/30/48/16/193304816.db2.gz ASQNNXLFFUMSMY-HZMBPMFUSA-N 1 0 300.374 2.443 10 0 DEAERO CCC[NH2+][C@@]1(CO)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000093784216 193307597 /nfs/dbraw/zinc/30/75/97/193307597.db2.gz ONLUSKCVSMJNTC-OLZOCXBDSA-N 1 0 316.243 2.491 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC000094005245 193338818 /nfs/dbraw/zinc/33/88/18/193338818.db2.gz FHJGMLDJDLRKHW-ZIAGYGMSSA-N 1 0 303.406 2.225 10 0 DEAERO Cc1cccc(S(=O)(=O)N(CC2CC[NH2+]CC2)C(C)C)c1 ZINC000094024146 193338983 /nfs/dbraw/zinc/33/89/83/193338983.db2.gz AKZYRPADFLAPSG-UHFFFAOYSA-N 1 0 310.463 2.394 10 0 DEAERO CCN(Cc1c(Br)c(C)nn1C)CC(C)(C)C[NH3+] ZINC000093891191 193324047 /nfs/dbraw/zinc/32/40/47/193324047.db2.gz KWJQJXNMFCXWKD-UHFFFAOYSA-N 1 0 317.275 2.298 10 0 DEAERO CC[NH2+][C@H](c1cc(Cl)ccc1OC)[C@@H]1CN(C)CCN1C ZINC000093895480 193325816 /nfs/dbraw/zinc/32/58/16/193325816.db2.gz ASIVUUZFCUCPAB-GOEBONIOSA-N 1 0 311.857 2.245 10 0 DEAERO CCN1CCO[C@@H]([C@@H](Cc2ccc(F)cc2Cl)[NH2+]C)C1 ZINC000093914064 193328535 /nfs/dbraw/zinc/32/85/35/193328535.db2.gz DIPIHNVXHSWPDR-HUUCEWRRSA-N 1 0 300.805 2.330 10 0 DEAERO CC[NH2+][C@@H](c1cc(Cl)cnc1N)[C@H]1CN(C(C)C)CCO1 ZINC000093927475 193329306 /nfs/dbraw/zinc/32/93/06/193329306.db2.gz LCMUFXJPJOLWBH-KGLIPLIRSA-N 1 0 312.845 2.077 10 0 DEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1cc(C)ccc1F ZINC000094023928 193339501 /nfs/dbraw/zinc/33/95/01/193339501.db2.gz MTSAAWFAHNQKKP-UHFFFAOYSA-N 1 0 314.426 2.144 10 0 DEAERO CCC[C@@H]1CCC[C@](C[NH3+])(N(C)CCS(C)(=O)=O)CC1 ZINC000094297890 193357189 /nfs/dbraw/zinc/35/71/89/193357189.db2.gz JAZQSYDXNYZBPE-CABCVRRESA-N 1 0 304.500 2.041 10 0 DEAERO CC1(C)CCCC[C@@H]1NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000094330105 193359329 /nfs/dbraw/zinc/35/93/29/193359329.db2.gz BSLSQNSNLXRCJQ-KBPBESRZSA-N 1 0 302.484 2.407 10 0 DEAERO Cn1cc(Sc2nc(C(F)(F)F)ccc2C(N)=[NH2+])cn1 ZINC000094337100 193360985 /nfs/dbraw/zinc/36/09/85/193360985.db2.gz YQAFKVXTEJFIMY-UHFFFAOYSA-N 1 0 301.297 2.269 10 0 DEAERO CCCNC(=O)COc1c(F)cc(C[NH2+]CCC)cc1F ZINC000094347151 193363186 /nfs/dbraw/zinc/36/31/86/193363186.db2.gz NWIPIOFKURTPEE-UHFFFAOYSA-N 1 0 300.349 2.369 10 0 DEAERO CC(C)NC(=O)[C@H](C)Oc1c(F)cc(C[C@@H](C)[NH3+])cc1F ZINC000094350116 193363194 /nfs/dbraw/zinc/36/31/94/193363194.db2.gz VOBZOLQFASPGOH-ZJUUUORDSA-N 1 0 300.349 2.146 10 0 DEAERO CC[NH2+]Cc1cc(F)c(O[C@@H](C)C(=O)NC(C)C)c(F)c1 ZINC000094346899 193363238 /nfs/dbraw/zinc/36/32/38/193363238.db2.gz BJHATEAEHCYKBP-JTQLQIEISA-N 1 0 300.349 2.366 10 0 DEAERO CC(C)NC(=O)[C@H](C)Oc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350118 193363483 /nfs/dbraw/zinc/36/34/83/193363483.db2.gz VOBZOLQFASPGOH-UWVGGRQHSA-N 1 0 300.349 2.146 10 0 DEAERO CC(C)(C)[NH2+]Cc1cc(F)c(OCCOCCO)c(F)c1 ZINC000094347879 193363583 /nfs/dbraw/zinc/36/35/83/193363583.db2.gz ADKBPGUNLUARAJ-UHFFFAOYSA-N 1 0 303.349 2.241 10 0 DEAERO CCN(CC)C(=O)[C@H](C)Oc1c(F)cc(C[NH2+]C)cc1F ZINC000094346355 193363682 /nfs/dbraw/zinc/36/36/82/193363682.db2.gz FJOJUHPSMMESMM-JTQLQIEISA-N 1 0 300.349 2.320 10 0 DEAERO C[NH2+]Cc1cc(F)c(OCC(=O)N[C@@H](C)C(C)C)c(F)c1 ZINC000094346655 193363773 /nfs/dbraw/zinc/36/37/73/193363773.db2.gz JGYGGVLRVLXGAW-JTQLQIEISA-N 1 0 300.349 2.224 10 0 DEAERO CC[C@@H](CC[NH3+])N1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094051889 193341728 /nfs/dbraw/zinc/34/17/28/193341728.db2.gz BGIPVGHSTNRDLY-LBPRGKRZSA-N 1 0 300.809 2.124 10 0 DEAERO Cc1cc(NC(=O)[C@@]2(C)CCC[NH2+]C2)ncc1Br ZINC000094063659 193342250 /nfs/dbraw/zinc/34/22/50/193342250.db2.gz VWGCLWRLPWLDPJ-ZDUSSCGKSA-N 1 0 312.211 2.481 10 0 DEAERO Cc1cc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)ncc1Br ZINC000094063525 193342556 /nfs/dbraw/zinc/34/25/56/193342556.db2.gz BCIQDMXMQNMFCK-JTQLQIEISA-N 1 0 324.222 2.481 10 0 DEAERO CC[C@@](C)([NH3+])C(=O)NCc1cc(Br)ccc1F ZINC000094237140 193353571 /nfs/dbraw/zinc/35/35/71/193353571.db2.gz QQGOUMVLWARVNA-GFCCVEGCSA-N 1 0 303.175 2.332 10 0 DEAERO CCC([NH3+])(CC)C(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000094244633 193354524 /nfs/dbraw/zinc/35/45/24/193354524.db2.gz JYBWZTCGJBHGPZ-QWHCGFSZSA-N 1 0 300.468 2.017 10 0 DEAERO CCC[NH2+][C@H]([C@H]1CCC[C@H](S(C)(=O)=O)C1)C(C)(C)N(C)C ZINC000094642874 193388905 /nfs/dbraw/zinc/38/89/05/193388905.db2.gz AKFBYHOYDKQZBB-SOUVJXGZSA-N 1 0 318.527 2.298 10 0 DEAERO C[C@H]([NH3+])Cc1ccccc1O[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094643233 193388940 /nfs/dbraw/zinc/38/89/40/193388940.db2.gz RSHNIPBXBZFGQA-QEJZJMRPSA-N 1 0 311.447 2.311 10 0 DEAERO CCC1(CC)CN(CCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094421648 193368699 /nfs/dbraw/zinc/36/86/99/193368699.db2.gz UFPNSPPIABSIPB-UHFFFAOYSA-N 1 0 310.463 2.200 10 0 DEAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1ncccc1Br ZINC000094700802 193392435 /nfs/dbraw/zinc/39/24/35/193392435.db2.gz RHPSKGMMWGQGLR-VIFPVBQESA-N 1 0 300.200 2.404 10 0 DEAERO CC[NH+](CC)CCNc1nc(Br)cn2ccnc12 ZINC000094486530 193372758 /nfs/dbraw/zinc/37/27/58/193372758.db2.gz BHPPECNUTHLXKA-UHFFFAOYSA-N 1 0 312.215 2.246 10 0 DEAERO COCC[NH2+]Cc1c(C)nc([C@H]2CSCCS2)nc1C ZINC000094500193 193374488 /nfs/dbraw/zinc/37/44/88/193374488.db2.gz MCEUKINYYRIDGN-CYBMUJFWSA-N 1 0 313.492 2.351 10 0 DEAERO CCC[NH2+][C@@H](Cc1ncnn1CC)[C@@H]1CSCCS1 ZINC000094498759 193374844 /nfs/dbraw/zinc/37/48/44/193374844.db2.gz UTIUPDYRCBRUSA-RYUDHWBXSA-N 1 0 300.497 2.057 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CN2CCN1CC2 ZINC000094509390 193375299 /nfs/dbraw/zinc/37/52/99/193375299.db2.gz CXPYPOPWBXYJAV-CABCVRRESA-N 1 0 314.260 2.124 10 0 DEAERO C[C@H](C[NH3+])S(=O)(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000094544503 193378388 /nfs/dbraw/zinc/37/83/88/193378388.db2.gz WNWLJSJMWLYYSR-YPHRVZEWSA-N 1 0 300.468 2.002 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000094549681 193378868 /nfs/dbraw/zinc/37/88/68/193378868.db2.gz HGKBDWJVMBSFJO-QPUJVOFHSA-N 1 0 315.186 2.398 10 0 DEAERO CSc1nc2ccc(NC(=O)[C@@H]3CC[C@@H](C[NH3+])O3)cc2s1 ZINC000094566063 193380661 /nfs/dbraw/zinc/38/06/61/193380661.db2.gz MBPMPXZCGZOROD-ONGXEEELSA-N 1 0 323.443 2.463 10 0 DEAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094567659 193381045 /nfs/dbraw/zinc/38/10/45/193381045.db2.gz YGEHPTPTHIGSCX-CMPLNLGQSA-N 1 0 317.216 2.458 10 0 DEAERO Cc1ccc(Br)cc1NC(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000094567036 193381089 /nfs/dbraw/zinc/38/10/89/193381089.db2.gz YDMKPBBHKGDCPY-JQWIXIFHSA-N 1 0 313.195 2.202 10 0 DEAERO O=C(c1cc(C(F)(F)F)ccc1F)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000094597050 193382717 /nfs/dbraw/zinc/38/27/17/193382717.db2.gz ORUZPUXMIIPRMK-IUCAKERBSA-N 1 0 302.271 2.136 10 0 DEAERO O=C(c1cccc(C(F)(F)F)c1F)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000094599951 193383526 /nfs/dbraw/zinc/38/35/26/193383526.db2.gz MGMBJCWAAVHWQL-IUCAKERBSA-N 1 0 302.271 2.136 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CNc1nc2c(Br)cccn2n1 ZINC000094604875 193384203 /nfs/dbraw/zinc/38/42/03/193384203.db2.gz AVSIXRPUHBQICS-SNVBAGLBSA-N 1 0 324.226 2.388 10 0 DEAERO C[C@H]1CC[C@@H](C[NH3+])CN1c1nc2c(Br)cccn2n1 ZINC000094608471 193384797 /nfs/dbraw/zinc/38/47/97/193384797.db2.gz SEGVGHFAKDGGBM-UWVGGRQHSA-N 1 0 324.226 2.055 10 0 DEAERO C[NH2+][C@H](C)c1cc(F)ccc1OCC(=O)NCC(F)(F)F ZINC000094619500 193385363 /nfs/dbraw/zinc/38/53/63/193385363.db2.gz NKIOZLNNLHWBOE-MRVPVSSYSA-N 1 0 308.275 2.163 10 0 DEAERO CSC1(C[NH3+])CCN(c2ncnc3c2CCCCC3)CC1 ZINC000094887339 193405888 /nfs/dbraw/zinc/40/58/88/193405888.db2.gz IKFLKWCWGQUYRO-UHFFFAOYSA-N 1 0 306.479 2.406 10 0 DEAERO Cc1csc(C[C@@H](C[NH2+]C(C)C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000094976312 193410611 /nfs/dbraw/zinc/41/06/11/193410611.db2.gz ZKMXHQNBZGXKLT-OLZOCXBDSA-N 1 0 316.492 2.043 10 0 DEAERO COc1ncnc2c1[nH]c(=S)n2CC[NH+](C(C)C)C(C)C ZINC000094738390 193394276 /nfs/dbraw/zinc/39/42/76/193394276.db2.gz FSALKNBJYCLPFG-UHFFFAOYSA-N 1 0 309.439 2.242 10 0 DEAERO CC(C)([NH3+])[C@@H](O)c1cc(Br)c2c(c1)OCCCO2 ZINC000097209515 193691163 /nfs/dbraw/zinc/69/11/63/193691163.db2.gz PHBFTNUPJXHXHT-LBPRGKRZSA-N 1 0 316.195 2.381 10 0 DEAERO C[C@H](C[NH2+]Cc1cccc(C(N)=O)c1)N(C)C(=O)OC(C)(C)C ZINC000282635876 217142379 /nfs/dbraw/zinc/14/23/79/217142379.db2.gz GQBOZGOOZAOFJK-GFCCVEGCSA-N 1 0 321.421 2.131 10 0 DEAERO COC(=O)[C@H]1CCC[C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000081338354 284337097 /nfs/dbraw/zinc/33/70/97/284337097.db2.gz PPEBFCUEBYLIOH-GJZGRUSLSA-N 1 0 322.449 2.053 10 0 DEAERO CCc1nnsc1[C@@H]([NH2+]C)[C@@H]1CCOC2(CCOCC2)C1 ZINC000097310726 193707020 /nfs/dbraw/zinc/70/70/20/193707020.db2.gz AVAZFBGLDRPQHW-YPMHNXCESA-N 1 0 311.451 2.337 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3c(=O)[nH]2)CC[N@@H+]1C ZINC000266124458 205118916 /nfs/dbraw/zinc/11/89/16/205118916.db2.gz YNCKZOYHQHODRP-OCCSQVGLSA-N 1 0 313.401 2.495 10 0 DEAERO CCO[C@H](C[NH3+])c1cc(Br)c2c(c1)OCCO2 ZINC000097328954 193708453 /nfs/dbraw/zinc/70/84/53/193708453.db2.gz OAUQDGMXRSYAKU-LLVKDONJSA-N 1 0 302.168 2.257 10 0 DEAERO C[NH2+][C@H](Cc1cn2ccsc2n1)Cc1c(C)nn(C)c1C ZINC000097349411 193710143 /nfs/dbraw/zinc/71/01/43/193710143.db2.gz CDPCABOQFSIVDV-GFCCVEGCSA-N 1 0 303.435 2.119 10 0 DEAERO CSc1nc(N2CCC(C(F)(F)F)CC2)cc(NN)[nH+]1 ZINC000161019970 197457326 /nfs/dbraw/zinc/45/73/26/197457326.db2.gz JQFKPGHCSQLUDN-UHFFFAOYSA-N 1 0 307.345 2.263 10 0 DEAERO O[C@H]1CC[NH2+]C[C@@H]1CCOc1cccc(Br)c1 ZINC000160716191 197433462 /nfs/dbraw/zinc/43/34/62/197433462.db2.gz NSJAMVKFXKHGNS-GWCFXTLKSA-N 1 0 300.196 2.188 10 0 DEAERO CC[NH+](CC)CCNS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000153554225 291572585 /nfs/dbraw/zinc/57/25/85/291572585.db2.gz RZGKOWHLKOKLLG-UHFFFAOYSA-N 1 0 322.833 2.408 10 0 DEAERO CN(c1ccccc1)S(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000020269723 182202169 /nfs/dbraw/zinc/20/21/69/182202169.db2.gz CTYUANFYOUJZBF-UHFFFAOYSA-N 1 0 304.415 2.403 10 0 DEAERO CCSC[C@@H]([NH2+]C)c1c(Br)cnn1CCOC ZINC000160047759 197381913 /nfs/dbraw/zinc/38/19/13/197381913.db2.gz BJUYARRPGANCDT-SNVBAGLBSA-N 1 0 322.272 2.306 10 0 DEAERO CCN(CC)C(=O)COc1ccc(Br)cc1C[NH3+] ZINC000020483506 182223174 /nfs/dbraw/zinc/22/31/74/182223174.db2.gz HZLIVRXADYAKTK-UHFFFAOYSA-N 1 0 315.211 2.155 10 0 DEAERO CO[C@]1(C[NH2+][C@@H](C)c2ccc(Br)o2)CCOC1 ZINC000160086567 197384674 /nfs/dbraw/zinc/38/46/74/197384674.db2.gz WZEPHUOBSUQNJI-CABZTGNLSA-N 1 0 304.184 2.498 10 0 DEAERO CC1CC[NH+](CCC(=O)Nc2ccc(C(N)=S)cc2)CC1 ZINC000020558174 182231604 /nfs/dbraw/zinc/23/16/04/182231604.db2.gz KIVRBUYJCCQGNB-UHFFFAOYSA-N 1 0 305.447 2.381 10 0 DEAERO O=S(=O)(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000020564077 182232141 /nfs/dbraw/zinc/23/21/41/182232141.db2.gz QMZDPICMSRUYAV-LLVKDONJSA-N 1 0 308.325 2.199 10 0 DEAERO O=S(=O)(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000020564079 182232370 /nfs/dbraw/zinc/23/23/70/182232370.db2.gz QMZDPICMSRUYAV-NSHDSACASA-N 1 0 308.325 2.199 10 0 DEAERO COc1ccc(N(CCC[NH3+])S(=O)(=O)C2CCCC2)cc1 ZINC000097834578 193763548 /nfs/dbraw/zinc/76/35/48/193763548.db2.gz PIJLKACBKXEJNZ-UHFFFAOYSA-N 1 0 312.435 2.123 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@H]2C[C@H](OC)C2(C)C)CC1 ZINC000530757752 284462111 /nfs/dbraw/zinc/46/21/11/284462111.db2.gz DUVJMIOULVWHAK-GJZGRUSLSA-N 1 0 311.470 2.221 10 0 DEAERO c1cnc(Oc2cccc(C[NH2+][C@@H]3CN4CCC3CC4)c2)nc1 ZINC000022937325 182342695 /nfs/dbraw/zinc/34/26/95/182342695.db2.gz KRSVLKGERBOSNK-QGZVFWFLSA-N 1 0 310.401 2.453 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1c(C)onc1CC ZINC000454977571 246303123 /nfs/dbraw/zinc/30/31/23/246303123.db2.gz HASRKWHWMDLHHM-LBPRGKRZSA-N 1 0 310.442 2.465 10 0 DEAERO Clc1ccc(-c2nc(CN3CC[NH2+]CC3)no2)c(Cl)c1 ZINC000035956612 182790711 /nfs/dbraw/zinc/79/07/11/182790711.db2.gz QTMHJRPACCDNLS-UHFFFAOYSA-N 1 0 313.188 2.449 10 0 DEAERO Cc1ccc(C(=O)N2C[C@H](C)N(CC[NH+](C)C)[C@@H](C)C2)cc1C ZINC000036126200 182804692 /nfs/dbraw/zinc/80/46/92/182804692.db2.gz LRAPAIKGJVUJNI-IRXDYDNUSA-N 1 0 317.477 2.400 10 0 DEAERO Cn1cc(CN2CC[NH+](CC3CCC(F)(F)CC3)CC2)cn1 ZINC000459361241 248617452 /nfs/dbraw/zinc/61/74/52/248617452.db2.gz ZIPRRDWKLZWONH-UHFFFAOYSA-N 1 0 312.408 2.363 10 0 DEAERO CCOCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000037892791 182934324 /nfs/dbraw/zinc/93/43/24/182934324.db2.gz PPKXAQGBPBAYLY-JTQLQIEISA-N 1 0 308.205 2.359 10 0 DEAERO CCOC(=O)c1c(NC(=O)C[NH2+]C2CC2)sc2c1CCC2 ZINC000040415407 183063821 /nfs/dbraw/zinc/06/38/21/183063821.db2.gz TWYWOFXKOHUFAG-UHFFFAOYSA-N 1 0 308.403 2.104 10 0 DEAERO CCOC(=O)c1c2c(sc1NC(=O)[C@H]1CCC[NH2+]1)CCC2 ZINC000040429186 183066214 /nfs/dbraw/zinc/06/62/14/183066214.db2.gz JECRPSYAZVGBLQ-SNVBAGLBSA-N 1 0 308.403 2.104 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[NH2+]1)CCC2 ZINC000040858825 183142729 /nfs/dbraw/zinc/14/27/29/183142729.db2.gz JRZLDLFPZXWMKL-JTQLQIEISA-N 1 0 308.403 2.104 10 0 DEAERO Cc1cc2c(n1[C@]1(C)CCS(=O)(=O)C1)CC(C)(C)C[C@@H]2[NH3+] ZINC000041735205 183218644 /nfs/dbraw/zinc/21/86/44/183218644.db2.gz WDOPWVRJWBZWHS-XJKSGUPXSA-N 1 0 310.463 2.302 10 0 DEAERO CCc1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)c1 ZINC000041604685 183209459 /nfs/dbraw/zinc/20/94/59/183209459.db2.gz AKSGTDNVFWOXBM-CYBMUJFWSA-N 1 0 305.422 2.034 10 0 DEAERO CCOC(=O)CCn1c(N)[nH+]c2cc(Br)ccc21 ZINC000041678367 183215842 /nfs/dbraw/zinc/21/58/42/183215842.db2.gz XVEJHAWRFIXMBF-UHFFFAOYSA-N 1 0 312.167 2.334 10 0 DEAERO CC(C)[N@H+](C)CCCCNC(=O)c1ccc(C(N)=S)cc1 ZINC000041680878 183216000 /nfs/dbraw/zinc/21/60/00/183216000.db2.gz VYNPQYQXKBCODL-UHFFFAOYSA-N 1 0 307.463 2.171 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000042166458 183238371 /nfs/dbraw/zinc/23/83/71/183238371.db2.gz FPBFMRYMJKRGLP-SDDRHHMPSA-N 1 0 308.344 2.135 10 0 DEAERO CCc1nc(C2([NH2+]C(C)C)CCS(=O)(=O)CC2)sc1C ZINC000042333270 183255061 /nfs/dbraw/zinc/25/50/61/183255061.db2.gz VRZAWLTUIPVQAF-UHFFFAOYSA-N 1 0 316.492 2.416 10 0 DEAERO CCN(C[C@@H](C)C[NH3+])S(=O)(=O)c1ccccc1C(F)(F)F ZINC000042441945 183270940 /nfs/dbraw/zinc/27/09/40/183270940.db2.gz IGKWIPCXAQXDCY-JTQLQIEISA-N 1 0 324.368 2.311 10 0 DEAERO [NH3+]C[C@H](c1ccc(Br)o1)N1CCCSCC1 ZINC000042443728 183271155 /nfs/dbraw/zinc/27/11/55/183271155.db2.gz GDKNNQZJQZVGSE-SECBINFHSA-N 1 0 305.241 2.481 10 0 DEAERO CCN(CCOc1ccc(Br)cc1)CCC(N)=[NH2+] ZINC000042452863 183271925 /nfs/dbraw/zinc/27/19/25/183271925.db2.gz CAWDYDZHOFRCGG-UHFFFAOYSA-N 1 0 314.227 2.476 10 0 DEAERO CC(C)[N@H+](CCCO)[C@H](C)C(=O)Nc1ccc(Cl)cc1N ZINC000042482921 183275574 /nfs/dbraw/zinc/27/55/74/183275574.db2.gz YBVZQXDGEZWXHT-LLVKDONJSA-N 1 0 313.829 2.342 10 0 DEAERO COCC[N@@H+](CC(=O)Nc1ccc(Cl)c(N)c1)CC(C)C ZINC000042367139 183260196 /nfs/dbraw/zinc/26/01/96/183260196.db2.gz IQBNABNTPSEEON-UHFFFAOYSA-N 1 0 313.829 2.465 10 0 DEAERO [NH3+]Cc1cccc(CS(=O)(=O)N(CC(F)(F)F)C2CC2)c1 ZINC000042768528 183306799 /nfs/dbraw/zinc/30/67/99/183306799.db2.gz CVAUOFVXXYLFTK-UHFFFAOYSA-N 1 0 322.352 2.002 10 0 DEAERO CC[C@@H](C)[N@H+](CCOC)CCOc1ccc(C(N)=S)cc1 ZINC000042583192 183285944 /nfs/dbraw/zinc/28/59/44/183285944.db2.gz NMHYNWOXCZQAJY-CYBMUJFWSA-N 1 0 310.463 2.447 10 0 DEAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)N(Cc1ccco1)C1CC1 ZINC000042693358 183296834 /nfs/dbraw/zinc/29/68/34/183296834.db2.gz YCYHVILPAILQMD-ZDUSSCGKSA-N 1 0 312.435 2.106 10 0 DEAERO CC(C)N(CC(=O)Nc1ccc(C[NH3+])cc1)CC(F)(F)F ZINC000042741192 183303975 /nfs/dbraw/zinc/30/39/75/183303975.db2.gz YSFBVTOQGUWKMF-UHFFFAOYSA-N 1 0 303.328 2.357 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cn(-c2ccc(C)cc2)nn1 ZINC000042917670 183318339 /nfs/dbraw/zinc/31/83/39/183318339.db2.gz LODKLJWMILUSDY-AWEZNQCLSA-N 1 0 315.421 2.036 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCN(C(C)=O)CC1 ZINC000042944510 183320056 /nfs/dbraw/zinc/32/00/56/183320056.db2.gz ATNXCCLUKLXFPZ-CVEARBPZSA-N 1 0 309.841 2.283 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)CCO ZINC000042953981 183321169 /nfs/dbraw/zinc/32/11/69/183321169.db2.gz VQEDCVSNWVNRAF-OLZOCXBDSA-N 1 0 301.228 2.152 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CCO)C1CC1 ZINC000043021726 183329517 /nfs/dbraw/zinc/32/95/17/183329517.db2.gz WUYLHAGOIDCMBY-YGRLFVJLSA-N 1 0 313.239 2.294 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)CC(F)(F)F)cc1 ZINC000042782345 183308330 /nfs/dbraw/zinc/30/83/30/183308330.db2.gz JOXIAVXFPVWXMO-UHFFFAOYSA-N 1 0 324.368 2.369 10 0 DEAERO CC(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000042782494 183309120 /nfs/dbraw/zinc/30/91/20/183309120.db2.gz TYUTWFBNHCAGKZ-UHFFFAOYSA-N 1 0 316.370 2.168 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N(C)CC(=O)N1CCCC1 ZINC000043242117 183346863 /nfs/dbraw/zinc/34/68/63/183346863.db2.gz HLWJVIBSENESCM-BBRMVZONSA-N 1 0 309.479 2.389 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(Cl)s1 ZINC000043258331 183348122 /nfs/dbraw/zinc/34/81/22/183348122.db2.gz NCNBILYEXAOGMP-GPXNAGAYSA-N 1 0 316.839 2.248 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N(CCO)C1CC1 ZINC000043262749 183348715 /nfs/dbraw/zinc/34/87/15/183348715.db2.gz HHBKVKQXDBDIJW-UFBFGSQYSA-N 1 0 319.268 2.356 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)CCO ZINC000043286217 183350721 /nfs/dbraw/zinc/35/07/21/183350721.db2.gz FPXBEPDZUKUKFS-MWLCHTKSSA-N 1 0 307.257 2.213 10 0 DEAERO C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300561 183352310 /nfs/dbraw/zinc/35/23/10/183352310.db2.gz DQYYQVDHDFCBBO-PWSUYJOCSA-N 1 0 307.337 2.401 10 0 DEAERO COc1ccc(Cl)c(NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000043318846 183354675 /nfs/dbraw/zinc/35/46/75/183354675.db2.gz LLCZFPJZVHXWLV-JTQLQIEISA-N 1 0 318.826 2.232 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1nnnn1-c1ccccc1)C(F)(F)F ZINC000043385902 183358016 /nfs/dbraw/zinc/35/80/16/183358016.db2.gz RFEOVXVMAVSKBK-ZJUUUORDSA-N 1 0 317.340 2.423 10 0 DEAERO Cc1cc(Cl)c(NC(=O)[C@H]2C[NH2+]CCO2)c2cccnc12 ZINC000043708430 183382869 /nfs/dbraw/zinc/38/28/69/183382869.db2.gz KUXCPOGBLHUWFP-GFCCVEGCSA-N 1 0 305.765 2.124 10 0 DEAERO CC[NH2+][C@@H]1CCCc2cc(O[C@H]3CCS(=O)(=O)C3)ccc21 ZINC000044745491 183437060 /nfs/dbraw/zinc/43/70/60/183437060.db2.gz YTUHNMNIHONCDL-GOEBONIOSA-N 1 0 309.431 2.239 10 0 DEAERO NS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000045069596 183479858 /nfs/dbraw/zinc/47/98/58/183479858.db2.gz GDFGJWKYDAAPBX-LSDHHAIUSA-N 1 0 302.484 2.394 10 0 DEAERO C[NH2+][C@](C)(CCCCSc1nc2ccccc2[nH]1)C(N)=O ZINC000045559310 183515817 /nfs/dbraw/zinc/51/58/17/183515817.db2.gz ZXHDKNCQBPLIQV-OAHLLOKOSA-N 1 0 306.435 2.289 10 0 DEAERO CC(C)[NH2+][C@](C)(CCCCSc1nncs1)C(N)=O ZINC000045586948 183517839 /nfs/dbraw/zinc/51/78/39/183517839.db2.gz QJSFUYZFUDYTQE-GFCCVEGCSA-N 1 0 302.469 2.043 10 0 DEAERO CC(C)(C)NC(=O)CN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000104731537 194031926 /nfs/dbraw/zinc/03/19/26/194031926.db2.gz VLPQJVDERKRAPE-UHFFFAOYSA-N 1 0 317.477 2.498 10 0 DEAERO CC[C@@H](CO)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105783249 194125176 /nfs/dbraw/zinc/12/51/76/194125176.db2.gz VUIHBBXSZVWOSY-MJBXVCDLSA-N 1 0 300.443 2.383 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000105881135 194156389 /nfs/dbraw/zinc/15/63/89/194156389.db2.gz JEZRIUSDAUJFGW-LSDHHAIUSA-N 1 0 300.406 2.047 10 0 DEAERO CCOc1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000106340185 194198359 /nfs/dbraw/zinc/19/83/59/194198359.db2.gz DBAGDLLJAQRPPO-ZDUSSCGKSA-N 1 0 309.385 2.070 10 0 DEAERO C[C@H](NS(=O)(=O)C[C@@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000049645473 183751908 /nfs/dbraw/zinc/75/19/08/183751908.db2.gz OGJXGMSSJRWHLU-IUCAKERBSA-N 1 0 308.856 2.134 10 0 DEAERO CCN(C(CC)(CC)C[NH3+])S(=O)(=O)c1cccc(F)c1 ZINC000050093702 183772826 /nfs/dbraw/zinc/77/28/26/183772826.db2.gz NEFDSAPYHQGTNX-UHFFFAOYSA-N 1 0 302.415 2.354 10 0 DEAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000109461334 194265559 /nfs/dbraw/zinc/26/55/59/194265559.db2.gz OGSSIBXFSXBASU-AWEZNQCLSA-N 1 0 311.495 2.166 10 0 DEAERO NNc1ccc(C(=O)Nc2ccc(Br)cc2)c[nH+]1 ZINC000051096405 183814730 /nfs/dbraw/zinc/81/47/30/183814730.db2.gz HFHVFVAOQGUDSB-UHFFFAOYSA-N 1 0 307.151 2.382 10 0 DEAERO CCc1ccc(CN2CC[NH+](C(C)(C)C(N)=S)CC2)cc1 ZINC000109470654 194267198 /nfs/dbraw/zinc/26/71/98/194267198.db2.gz GJJYPORTUKOXMG-UHFFFAOYSA-N 1 0 305.491 2.431 10 0 DEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(CCc2ccccc2)CC1 ZINC000109470426 194267451 /nfs/dbraw/zinc/26/74/51/194267451.db2.gz NPNRVIZDFRNOFQ-INIZCTEOSA-N 1 0 305.491 2.302 10 0 DEAERO C[C@H]1CCN(C(=O)c2cccc(F)c2Br)C[C@H]1[NH3+] ZINC000155995563 197079326 /nfs/dbraw/zinc/07/93/26/197079326.db2.gz RBFDCAFWDPJDGF-GZMMTYOYSA-N 1 0 315.186 2.398 10 0 DEAERO C[NH2+]C[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCO1 ZINC000159325236 197345902 /nfs/dbraw/zinc/34/59/02/197345902.db2.gz YXDPFKKEEGLTEI-CYBMUJFWSA-N 1 0 306.303 2.265 10 0 DEAERO CC(C)[NH2+]C[C@@H](Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000052951326 183881512 /nfs/dbraw/zinc/88/15/12/183881512.db2.gz CPEQIHAQENRPFH-LSDHHAIUSA-N 1 0 313.438 2.417 10 0 DEAERO Cc1ccccc1C[C@@H](C[NH2+]C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000052951694 183882245 /nfs/dbraw/zinc/88/22/45/183882245.db2.gz VRLZKEUCTDBEDN-CVEARBPZSA-N 1 0 307.459 2.340 10 0 DEAERO CC[NH2+]C[C@@H](CCS(=O)(=O)CC)Cc1ccc(F)cc1 ZINC000052974914 183882628 /nfs/dbraw/zinc/88/26/28/183882628.db2.gz CKURFMTTXQQBRA-AWEZNQCLSA-N 1 0 301.427 2.419 10 0 DEAERO C[C@H]1Cc2ccccc2N(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000110389894 194327279 /nfs/dbraw/zinc/32/72/79/194327279.db2.gz GWGMTSBXMZPUIX-UONOGXRCSA-N 1 0 308.447 2.015 10 0 DEAERO CC(C)(C)[NH2+]C[C@@H]1CCCN1c1ccccc1S(C)(=O)=O ZINC000053695526 183910250 /nfs/dbraw/zinc/91/02/50/183910250.db2.gz BJDDILYGQLNTGA-ZDUSSCGKSA-N 1 0 310.463 2.447 10 0 DEAERO CC(C)[NH2+]Cc1ccc(OCCC(N)=O)c(C(F)(F)F)c1 ZINC000110513658 194335985 /nfs/dbraw/zinc/33/59/85/194335985.db2.gz AZLFSVRXRPOJOE-UHFFFAOYSA-N 1 0 304.312 2.458 10 0 DEAERO COc1ccc(Br)cc1C[C@]1(O)CCC[NH2+]C1 ZINC000110551272 194338189 /nfs/dbraw/zinc/33/81/89/194338189.db2.gz XSXBXEPLJVSYDK-CYBMUJFWSA-N 1 0 300.196 2.115 10 0 DEAERO O=S(=O)(c1ccccc1NCC[C@@H]1CC[NH2+]C1)C(F)F ZINC000110798685 194359992 /nfs/dbraw/zinc/35/99/92/194359992.db2.gz BFQWQENCLMZYEJ-JTQLQIEISA-N 1 0 304.362 2.094 10 0 DEAERO COc1ccc([C@H](C[NH3+])N2CCSCC2)c(Cl)c1OC ZINC000110827615 194361829 /nfs/dbraw/zinc/36/18/29/194361829.db2.gz RMISUKOKQSTFEB-NSHDSACASA-N 1 0 316.854 2.406 10 0 DEAERO C[C@@H]1CN(CCNc2ccc(Br)cc2)CC[N@@H+]1C ZINC000110755589 194357060 /nfs/dbraw/zinc/35/70/60/194357060.db2.gz YTGGJTZUGZBCKA-GFCCVEGCSA-N 1 0 312.255 2.497 10 0 DEAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000110928320 194370047 /nfs/dbraw/zinc/37/00/47/194370047.db2.gz OBRRDEGHHHZANI-OAHLLOKOSA-N 1 0 304.415 2.212 10 0 DEAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000110942394 194371897 /nfs/dbraw/zinc/37/18/97/194371897.db2.gz YNPRXSUFKNDRTO-CYBMUJFWSA-N 1 0 316.854 2.493 10 0 DEAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(CC)cc1 ZINC000110942375 194372144 /nfs/dbraw/zinc/37/21/44/194372144.db2.gz PXFMEOICRVCNJX-HNNXBMFYSA-N 1 0 310.463 2.402 10 0 DEAERO CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000110941688 194372705 /nfs/dbraw/zinc/37/27/05/194372705.db2.gz MNMVRBFDTPLNQX-VIFPVBQESA-N 1 0 308.856 2.164 10 0 DEAERO CC[NH2+]Cc1sc(N(CCCOC)CCOC)nc1C ZINC000055000409 183956983 /nfs/dbraw/zinc/95/69/83/183956983.db2.gz OAARNVUAKUDEFP-UHFFFAOYSA-N 1 0 301.456 2.050 10 0 DEAERO C[NH2+][C@H](Cc1csc(C)n1)c1c(Br)cnn1C ZINC000159319524 197345202 /nfs/dbraw/zinc/34/52/02/197345202.db2.gz ZVMNBOLNDOHKBK-SNVBAGLBSA-N 1 0 315.240 2.451 10 0 DEAERO CCCNS(=O)(=O)c1ccccc1OC1CCC([NH3+])CC1 ZINC000055143526 183966993 /nfs/dbraw/zinc/96/69/93/183966993.db2.gz YFUKHEJMRUKDSV-UHFFFAOYSA-N 1 0 312.435 2.024 10 0 DEAERO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1cc(Br)ccc1F ZINC000156841088 197144680 /nfs/dbraw/zinc/14/46/80/197144680.db2.gz JIKPKZARPKATBX-JGVFFNPUSA-N 1 0 303.175 2.188 10 0 DEAERO COc1ccc(OCC[N@H+](C)C[C@H](O)COC(C)(C)C)cc1 ZINC000057158957 184029025 /nfs/dbraw/zinc/02/90/25/184029025.db2.gz IVGOMAXOMLJJCI-AWEZNQCLSA-N 1 0 311.422 2.182 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1nccs1 ZINC000057205914 184029537 /nfs/dbraw/zinc/02/95/37/184029537.db2.gz QZOJPZOOLOEARW-ZDUSSCGKSA-N 1 0 304.419 2.438 10 0 DEAERO Cc1cccc(OCc2nc3c(c(N4CC[NH2+]CC4)n2)CCC3)c1 ZINC000057328736 184033416 /nfs/dbraw/zinc/03/34/16/184033416.db2.gz YFPAVRNLGSGDGP-UHFFFAOYSA-N 1 0 324.428 2.262 10 0 DEAERO Clc1cccc(Cc2noc(CN3CCC[NH2+]CC3)n2)c1 ZINC000061145650 184162836 /nfs/dbraw/zinc/16/28/36/184162836.db2.gz BNWFFNVVODPHPT-UHFFFAOYSA-N 1 0 306.797 2.109 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000061230981 184166615 /nfs/dbraw/zinc/16/66/15/184166615.db2.gz KAYCYUOIQZNDFT-VIFPVBQESA-N 1 0 305.300 2.207 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1nnc2ccccn21)c1cnn(C)c1 ZINC000061405851 184170201 /nfs/dbraw/zinc/17/02/01/184170201.db2.gz GYJPLBHEGYLNDQ-DGCLKSJQSA-N 1 0 302.407 2.034 10 0 DEAERO CCN(CC)c1nc(Cl)nc(N[C@@H](C)CC[NH+](C)C)n1 ZINC000061539549 184173713 /nfs/dbraw/zinc/17/37/13/184173713.db2.gz OGVAGUAUFFPXPR-JTQLQIEISA-N 1 0 300.838 2.123 10 0 DEAERO CC[NH+](CC)C[C@@H](C)Nc1nc(Cl)nc(OC(C)C)n1 ZINC000061541586 184174165 /nfs/dbraw/zinc/17/41/65/184174165.db2.gz YKGLNKSUCBYPNI-SNVBAGLBSA-N 1 0 301.822 2.454 10 0 DEAERO Cc1ccsc1[C@@H](Sc1n[nH]c(=O)n1C1CC1)[C@H](C)[NH3+] ZINC000061594603 184175978 /nfs/dbraw/zinc/17/59/78/184175978.db2.gz GSDOWTNJHAYUBY-KWQFWETISA-N 1 0 310.448 2.457 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1ccccc1C ZINC000061594271 184176255 /nfs/dbraw/zinc/17/62/55/184176255.db2.gz TXSQEDKHFSKWGG-CHWSQXEVSA-N 1 0 306.435 2.470 10 0 DEAERO Cc1ccccc1[C@@H](Sc1n[nH]c(=O)n1C1CC1)[C@H](C)[NH3+] ZINC000061594585 184176284 /nfs/dbraw/zinc/17/62/84/184176284.db2.gz QUONLXHXCYOWHB-GWCFXTLKSA-N 1 0 304.419 2.395 10 0 DEAERO Cc1ccsc1[C@H](Sc1n[nH]c(=O)n1C1CC1)[C@H](C)[NH3+] ZINC000061594602 184176288 /nfs/dbraw/zinc/17/62/88/184176288.db2.gz GSDOWTNJHAYUBY-GZMMTYOYSA-N 1 0 310.448 2.457 10 0 DEAERO CCCn1c(S[C@@H](C[NH3+])c2ccc(Cl)cc2)n[nH]c1=O ZINC000061594853 184176694 /nfs/dbraw/zinc/17/66/94/184176694.db2.gz BTSZIVZQYALAGT-NSHDSACASA-N 1 0 312.826 2.427 10 0 DEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(Br)cn1 ZINC000061874425 184191282 /nfs/dbraw/zinc/19/12/82/184191282.db2.gz QNHVMBANYFHRFI-SNVBAGLBSA-N 1 0 312.211 2.058 10 0 DEAERO COCC[NH2+][C@@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689785 184182784 /nfs/dbraw/zinc/18/27/84/184182784.db2.gz NJVBCTOGEINURT-LBPRGKRZSA-N 1 0 306.175 2.032 10 0 DEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCN(CC(F)(F)F)CC2)o1 ZINC000061940771 184197286 /nfs/dbraw/zinc/19/72/86/184197286.db2.gz QMQORBULLIBWOP-DGCLKSJQSA-N 1 0 305.344 2.156 10 0 DEAERO CCC[NH2+]Cc1cnc(N2CCN(CC(F)(F)F)CC2)s1 ZINC000061948514 184197929 /nfs/dbraw/zinc/19/79/29/184197929.db2.gz QXUVWOPQYXHSRG-UHFFFAOYSA-N 1 0 322.400 2.327 10 0 DEAERO C[NH2+]Cc1ccc(CN2CCN(CC(F)(F)F)CC2)cc1 ZINC000061948326 184198087 /nfs/dbraw/zinc/19/80/87/184198087.db2.gz CYIDONHWFJSJNX-UHFFFAOYSA-N 1 0 301.356 2.086 10 0 DEAERO C[C@H](C(=O)N(C)[C@H](C)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000062010857 184201001 /nfs/dbraw/zinc/20/10/01/184201001.db2.gz GIIVCESMCULOGZ-CHWSQXEVSA-N 1 0 309.841 2.153 10 0 DEAERO COCCCN(C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000062029274 184202117 /nfs/dbraw/zinc/20/21/17/184202117.db2.gz JKYJRFFUQDBJQT-VIFPVBQESA-N 1 0 307.257 2.479 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000061883594 184192030 /nfs/dbraw/zinc/19/20/30/184192030.db2.gz OADATOACODCDCI-NTSWFWBYSA-N 1 0 308.250 2.239 10 0 DEAERO C[C@@H](Cc1ccccc1)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000062192164 184218606 /nfs/dbraw/zinc/21/86/06/184218606.db2.gz WQRXREFLPWJHFE-JTQLQIEISA-N 1 0 304.781 2.382 10 0 DEAERO COCCN1C(=O)C[C@H]([NH3+])[C@H]1c1c(Cl)cccc1Cl ZINC000062210263 184220855 /nfs/dbraw/zinc/22/08/55/184220855.db2.gz FCMGBGIVIDXCLS-GWCFXTLKSA-N 1 0 303.189 2.241 10 0 DEAERO CCS(=O)(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000062554753 184242115 /nfs/dbraw/zinc/24/21/15/184242115.db2.gz IJQITMDDUWPAMJ-UHFFFAOYSA-N 1 0 322.474 2.423 10 0 DEAERO Nc1[nH+]c2cc(F)c(Br)cc2n1[C@@H]1CCOC1 ZINC000158451413 197273729 /nfs/dbraw/zinc/27/37/29/197273729.db2.gz BMWYOACITVEJQZ-ZCFIWIBFSA-N 1 0 300.131 2.482 10 0 DEAERO CC[C@@]1(C(=O)Nc2cc(Cl)ccc2C(=O)OC)CC[NH2+]C1 ZINC000062892029 184258346 /nfs/dbraw/zinc/25/83/46/184258346.db2.gz DUSLUQGSWBOITN-OAHLLOKOSA-N 1 0 310.781 2.455 10 0 DEAERO CC[C@@]1(C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)CC[NH2+]C1 ZINC000062892470 184258557 /nfs/dbraw/zinc/25/85/57/184258557.db2.gz GYZFYAJCYRUHCF-OAHLLOKOSA-N 1 0 307.781 2.163 10 0 DEAERO C[C@@]1(C(=O)Nc2cc(Cl)ccc2-n2cccn2)CC[NH2+]C1 ZINC000062894142 184258874 /nfs/dbraw/zinc/25/88/74/184258874.db2.gz MMAUCXYAHGYTKI-OAHLLOKOSA-N 1 0 304.781 2.464 10 0 DEAERO CC[NH2+][C@@H](CCSc1ccccc1Br)C(N)=O ZINC000062597093 184245221 /nfs/dbraw/zinc/24/52/21/184245221.db2.gz HBCFDDBSBMLKIR-JTQLQIEISA-N 1 0 317.252 2.395 10 0 DEAERO CCC[NH2+]Cc1ccc(OCC(=O)NC)c(Br)c1 ZINC000062701633 184248349 /nfs/dbraw/zinc/24/83/49/184248349.db2.gz GAJMBBTVEZSANT-UHFFFAOYSA-N 1 0 315.211 2.074 10 0 DEAERO Cn1cc(Br)cc1C(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063211063 184278335 /nfs/dbraw/zinc/27/83/35/184278335.db2.gz WEQVZVMUWXPELJ-WDEREUQCSA-N 1 0 314.227 2.177 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063213896 184278736 /nfs/dbraw/zinc/27/87/36/184278736.db2.gz MTMGCTQLHBQYMX-CHWSQXEVSA-N 1 0 300.399 2.072 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063213898 184278843 /nfs/dbraw/zinc/27/88/43/184278843.db2.gz MTMGCTQLHBQYMX-OLZOCXBDSA-N 1 0 300.399 2.072 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000063213778 184278943 /nfs/dbraw/zinc/27/89/43/184278943.db2.gz RRFHMVTXNPLLSZ-NXEZZACHSA-N 1 0 322.352 2.042 10 0 DEAERO C[C@@H]1[NH2+]CCCN(Cc2sccc2Br)C1=O ZINC000063215328 184279016 /nfs/dbraw/zinc/27/90/16/184279016.db2.gz VWHARNVPQAYYAM-QMMMGPOBSA-N 1 0 303.225 2.221 10 0 DEAERO Cn1ncc2c1nc(CSc1ccc(F)cc1)[nH+]c2NN ZINC000063084337 184269803 /nfs/dbraw/zinc/26/98/03/184269803.db2.gz OXDGNZAIZZVQKL-UHFFFAOYSA-N 1 0 304.354 2.080 10 0 DEAERO CN(CC1CC[NH+](C)CC1)c1ncc(Br)cc1N ZINC000063120386 184271724 /nfs/dbraw/zinc/27/17/24/184271724.db2.gz DIVFJXCMMRELRP-UHFFFAOYSA-N 1 0 313.243 2.204 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 ZINC000063168044 184275545 /nfs/dbraw/zinc/27/55/45/184275545.db2.gz ZQDBYXAFMBHWTQ-GFCCVEGCSA-N 1 0 302.827 2.103 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1C ZINC000063168146 184275729 /nfs/dbraw/zinc/27/57/29/184275729.db2.gz SWEFMIOHQDHKIZ-GFCCVEGCSA-N 1 0 316.854 2.411 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1F ZINC000063172361 184276036 /nfs/dbraw/zinc/27/60/36/184276036.db2.gz DPXSCPWPDLDQRT-WDEREUQCSA-N 1 0 301.159 2.198 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000063172545 184276146 /nfs/dbraw/zinc/27/61/46/184276146.db2.gz NUKMFNMBXBEERP-WDEREUQCSA-N 1 0 314.227 2.270 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000063177847 184276664 /nfs/dbraw/zinc/27/66/64/184276664.db2.gz NGXABEVPFKFMHK-QWRGUYRKSA-N 1 0 308.325 2.272 10 0 DEAERO CCOc1ccc(S(=O)(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000063191125 184277157 /nfs/dbraw/zinc/27/71/57/184277157.db2.gz IYDCVSBDQLSZGT-UHFFFAOYSA-N 1 0 306.387 2.345 10 0 DEAERO COc1ccc(-c2cc(C(=O)NC3CC3)c(C[NH3+])c(C)n2)cc1 ZINC000066102880 184389839 /nfs/dbraw/zinc/38/98/39/184389839.db2.gz HAVYLWDMXRGGTG-UHFFFAOYSA-N 1 0 311.385 2.417 10 0 DEAERO C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188003074 207369356 /nfs/dbraw/zinc/36/93/56/207369356.db2.gz VVKIHWQIBZVLET-XJKSGUPXSA-N 1 0 302.418 2.494 10 0 DEAERO COC(=O)CCOc1c(Cl)cc(C[C@H](C)[NH3+])cc1OC ZINC000069318653 184506841 /nfs/dbraw/zinc/50/68/41/184506841.db2.gz IQZHIXSGSMMMIZ-VIFPVBQESA-N 1 0 301.770 2.180 10 0 DEAERO CCOC[C@H](O)C[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000113501598 194595936 /nfs/dbraw/zinc/59/59/36/194595936.db2.gz KIPAGFUSDVMKNM-QGZVFWFLSA-N 1 0 307.434 2.347 10 0 DEAERO Cc1cc(Br)cc(CC[NH3+])c1O[C@H]1CCOC1 ZINC000160900215 197448473 /nfs/dbraw/zinc/44/84/73/197448473.db2.gz UMWGYFAXNSBOAP-LBPRGKRZSA-N 1 0 300.196 2.426 10 0 DEAERO COc1ccccc1-c1nnc(CN2CCC[C@H]([NH+](C)C)C2)o1 ZINC000119660731 195011981 /nfs/dbraw/zinc/01/19/81/195011981.db2.gz VHMYBAYRYOAOFJ-ZDUSSCGKSA-N 1 0 316.405 2.271 10 0 DEAERO COC(=O)CC[N@@H+](CC(=O)Nc1ccccc1F)CC(C)C ZINC000119900620 195058351 /nfs/dbraw/zinc/05/83/51/195058351.db2.gz FIBWKFPXGHCNQC-UHFFFAOYSA-N 1 0 310.369 2.285 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Cc1csc(-c2cccnc2)n1 ZINC000539417825 285076903 /nfs/dbraw/zinc/07/69/03/285076903.db2.gz YPSQPLGXWBHKGI-UHFFFAOYSA-N 1 0 318.446 2.158 10 0 DEAERO [NH3+][C@H](CS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCOC1 ZINC000159121402 197329790 /nfs/dbraw/zinc/32/97/90/197329790.db2.gz WRGAHRXXGAWHOL-QPUJVOFHSA-N 1 0 324.229 2.131 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000159069595 197324999 /nfs/dbraw/zinc/32/49/99/197324999.db2.gz DKOPJLWTCNGGLV-CYBMUJFWSA-N 1 0 311.451 2.171 10 0 DEAERO CC[C@H]1CCCN1S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159075622 197324243 /nfs/dbraw/zinc/32/42/43/197324243.db2.gz VZQMZDIAXSZRIF-LBPRGKRZSA-N 1 0 300.399 2.156 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(CC)C2CC2)cc(C)c1F ZINC000159060614 197323922 /nfs/dbraw/zinc/32/39/22/197323922.db2.gz WXEQGIUGQRVGBP-UHFFFAOYSA-N 1 0 314.426 2.417 10 0 DEAERO CCN(C)S(=O)(=O)c1ccc(F)c(C[NH2+]C(C)(C)C)c1 ZINC000159060013 197323940 /nfs/dbraw/zinc/32/39/40/197323940.db2.gz RHAPESQKZILDKD-UHFFFAOYSA-N 1 0 302.415 2.354 10 0 DEAERO CCCN(C1CC1)S(=O)(=O)c1cc(C)c(F)c(C[NH2+]C)c1 ZINC000159063666 197323776 /nfs/dbraw/zinc/32/37/76/197323776.db2.gz WRKAXMZFIKDSAZ-UHFFFAOYSA-N 1 0 314.426 2.417 10 0 DEAERO CCN(C1CC1)S(=O)(=O)c1cc(C)c(F)c(C[NH2+]C)c1 ZINC000159060304 197323187 /nfs/dbraw/zinc/32/31/87/197323187.db2.gz RVNUMKQHWQQRCB-UHFFFAOYSA-N 1 0 300.399 2.027 10 0 DEAERO CC[NH2+][C@H](C[S@@](=O)c1ccccc1Cl)[C@@H]1CCOC1 ZINC000158942872 197313108 /nfs/dbraw/zinc/31/31/08/197313108.db2.gz LCROUHOHARXPCF-MVBJNABHSA-N 1 0 301.839 2.462 10 0 DEAERO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N(C)CCC[NH+](C)C ZINC000540516835 285119414 /nfs/dbraw/zinc/11/94/14/285119414.db2.gz ZKPACKHOOYZZFP-LLVKDONJSA-N 1 0 300.349 2.142 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000120218038 195120393 /nfs/dbraw/zinc/12/03/93/195120393.db2.gz QKYDHPVQKYOKEH-HNNXBMFYSA-N 1 0 317.433 2.277 10 0 DEAERO CC[S@@](=O)c1ccccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000159003000 197318289 /nfs/dbraw/zinc/31/82/89/197318289.db2.gz WFKLNDXCIIWQBO-XUHFEKCNSA-N 1 0 322.474 2.273 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)CC1CCCCC1 ZINC000158991534 197316895 /nfs/dbraw/zinc/31/68/95/197316895.db2.gz SCFQBSJKNHDJEF-HUUCEWRRSA-N 1 0 302.484 2.264 10 0 DEAERO Cc1c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cnn1C(C)(C)C ZINC000158925316 197311636 /nfs/dbraw/zinc/31/16/36/197311636.db2.gz GGNMHVRBIQCQPY-WFASDCNBSA-N 1 0 306.454 2.405 10 0 DEAERO NC(=O)N1CCC([NH2+]C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000158783018 197300773 /nfs/dbraw/zinc/30/07/73/197300773.db2.gz OUHJOWLPHPCGOF-QGZVFWFLSA-N 1 0 313.401 2.006 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c(C)s1 ZINC000158775682 197299794 /nfs/dbraw/zinc/29/97/94/197299794.db2.gz XKGXRZHMQMPTDT-RYUDHWBXSA-N 1 0 314.476 2.197 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)Cc1ccccc1)[C@H]1CCOC1 ZINC000158755770 197298770 /nfs/dbraw/zinc/29/87/70/197298770.db2.gz MFRMZJVXMPQZNP-HOTGVXAUSA-N 1 0 311.447 2.006 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)c1ccc(C)cc1C)[C@H]1CCOC1 ZINC000158737140 197298152 /nfs/dbraw/zinc/29/81/52/197298152.db2.gz IBFZFGFDTIWIEZ-GJZGRUSLSA-N 1 0 311.447 2.092 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCOC1 ZINC000158725146 197297589 /nfs/dbraw/zinc/29/75/89/197297589.db2.gz WVIDRLKQVOXQHP-GDBMZVCRSA-N 1 0 311.447 2.173 10 0 DEAERO O=C(NCCC[NH+]1CCCC1)c1ncsc1Br ZINC000288673830 220339632 /nfs/dbraw/zinc/33/96/32/220339632.db2.gz PVEKTKBGMVYJHY-UHFFFAOYSA-N 1 0 318.240 2.121 10 0 DEAERO CN(c1ccccc1S(=O)(=O)C(F)F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000158534465 197281531 /nfs/dbraw/zinc/28/15/31/197281531.db2.gz KTTDJCQAFJWXMX-WDEREUQCSA-N 1 0 318.389 2.389 10 0 DEAERO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CCCC2CC2)CC1 ZINC000541207235 285157961 /nfs/dbraw/zinc/15/79/61/285157961.db2.gz LEYLJRMBQBRUQR-CQSZACIVSA-N 1 0 324.465 2.347 10 0 DEAERO CCCn1c(C[NH2+]C2CCS(=O)CC2)nc2ccccc21 ZINC000158002260 197234126 /nfs/dbraw/zinc/23/41/26/197234126.db2.gz SFDFOBKJHBZIRT-UHFFFAOYSA-N 1 0 305.447 2.447 10 0 DEAERO O=S1CCC([NH2+]Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000157920801 197227836 /nfs/dbraw/zinc/22/78/36/197227836.db2.gz HBOFCBAJJHQASS-UHFFFAOYSA-N 1 0 301.795 2.069 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1[C@@H](O)CC1CC1 ZINC000157818664 197217476 /nfs/dbraw/zinc/21/74/76/197217476.db2.gz IVYHVBJGGZCTIW-NSHDSACASA-N 1 0 302.216 2.041 10 0 DEAERO COCC[NH2+]C[C@@](C)(O)Cc1cccc(F)c1Br ZINC000157870305 197222698 /nfs/dbraw/zinc/22/26/98/197222698.db2.gz NGBPSNTUOZVGAP-ZDUSSCGKSA-N 1 0 320.202 2.118 10 0 DEAERO C[C@@H](NC(=O)N1CCC(c2ncc[nH]2)CC1)C(C)(C)C[NH+](C)C ZINC000443675209 533116854 /nfs/dbraw/zinc/11/68/54/533116854.db2.gz QVYDMQKRSYJNJX-CYBMUJFWSA-N 1 0 321.469 2.275 10 0 DEAERO Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@@H](C)[NH3+])c1 ZINC000157655281 197205852 /nfs/dbraw/zinc/20/58/52/197205852.db2.gz YCYCGQAFCUKWGK-QAPCUYQASA-N 1 0 312.413 2.404 10 0 DEAERO CN(C)C(=O)c1cc(NC(=O)[C@H]([NH3+])C(C)(C)C)ccc1Cl ZINC000157608980 197201434 /nfs/dbraw/zinc/20/14/34/197201434.db2.gz LASIZVOCEAPXOK-LBPRGKRZSA-N 1 0 311.813 2.354 10 0 DEAERO CCCN[C@@](C)(C[C@@H](C)[N@H+](C)CCOC(C)C)C(=O)OC ZINC000157519200 197192622 /nfs/dbraw/zinc/19/26/22/197192622.db2.gz LYSJRTPJOGAICI-ZBFHGGJFSA-N 1 0 302.459 2.053 10 0 DEAERO Cc1cc(S(=O)(=O)NCCC2CCC2)cc(C[NH3+])c1F ZINC000157506595 197192235 /nfs/dbraw/zinc/19/22/35/197192235.db2.gz AKGOSDMSSQOOLU-UHFFFAOYSA-N 1 0 300.399 2.061 10 0 DEAERO Cc1c(F)cc(C[NH3+])cc1S(=O)(=O)NCCC1CCC1 ZINC000157496409 197192038 /nfs/dbraw/zinc/19/20/38/197192038.db2.gz DZVFGDUFXGLTOL-UHFFFAOYSA-N 1 0 300.399 2.061 10 0 DEAERO COc1cc(F)c(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1OC ZINC000157371272 197182421 /nfs/dbraw/zinc/18/24/21/197182421.db2.gz PIROWSWRJJFDGF-INIZCTEOSA-N 1 0 312.385 2.336 10 0 DEAERO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000157438438 197186956 /nfs/dbraw/zinc/18/69/56/197186956.db2.gz PVJHNUIRUUNZJV-ZFWWWQNUSA-N 1 0 300.406 2.423 10 0 DEAERO NC(=[NH2+])c1ccnnc1Oc1cc(F)cc(Br)c1 ZINC000157315955 197179095 /nfs/dbraw/zinc/17/90/95/197179095.db2.gz HFJVUFVGPPECPI-UHFFFAOYSA-N 1 0 311.114 2.455 10 0 DEAERO C[C@H]1CCC[C@](CNC(=O)c2nnc(Cl)s2)([NH+](C)C)C1 ZINC000157243252 197172449 /nfs/dbraw/zinc/17/24/49/197172449.db2.gz ZNISBBHWVOARLW-ZANVPECISA-N 1 0 316.858 2.432 10 0 DEAERO CCN(CCCNC(=O)N(C)CCC[NH+](C)C)c1ccccc1 ZINC000541796975 285186061 /nfs/dbraw/zinc/18/60/61/285186061.db2.gz PNYQQNDYOCEHIH-UHFFFAOYSA-N 1 0 320.481 2.496 10 0 DEAERO CCC[C@@H](C(=O)N1CCc2c(nc(C(C)C)n2C)C1)[NH+](C)C ZINC000157013825 197155505 /nfs/dbraw/zinc/15/55/05/197155505.db2.gz DKSDEJMPGZTMJW-HNNXBMFYSA-N 1 0 306.454 2.159 10 0 DEAERO CCC[C@@H](C(=O)Nc1nc(C)c(C(=O)OCC)s1)[NH+](C)C ZINC000156817658 197142666 /nfs/dbraw/zinc/14/26/66/197142666.db2.gz AUIKFPZGOVFNLZ-JTQLQIEISA-N 1 0 313.423 2.297 10 0 DEAERO C[C@@](O)(Cc1cc(Br)cs1)C[C@H]1COCC[NH2+]1 ZINC000156923694 197150197 /nfs/dbraw/zinc/15/01/97/197150197.db2.gz IHLYWHBCVRYCPL-JQWIXIFHSA-N 1 0 320.252 2.183 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1c(C)nn2c1nc(C)cc2C ZINC000120329806 195145508 /nfs/dbraw/zinc/14/55/08/195145508.db2.gz MDZMSQCWVHGKRK-CYBMUJFWSA-N 1 0 317.437 2.115 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000156674723 197132212 /nfs/dbraw/zinc/13/22/12/197132212.db2.gz FSRAJZGVBCGZIE-INIZCTEOSA-N 1 0 304.438 2.379 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000189960960 533146332 /nfs/dbraw/zinc/14/63/32/533146332.db2.gz KEDZJKKRJOGQJX-KBPBESRZSA-N 1 0 320.437 2.182 10 0 DEAERO CCCS(=O)(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000156370790 197107718 /nfs/dbraw/zinc/10/77/18/197107718.db2.gz OCVPMGRQGISHMS-KGLIPLIRSA-N 1 0 308.447 2.201 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccc(C(N)=O)c(C(F)(F)F)c1 ZINC000156231789 197097567 /nfs/dbraw/zinc/09/75/67/197097567.db2.gz QUNCAMWJKOJDKW-RKDXNWHRSA-N 1 0 301.312 2.120 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ncc(Cl)cc1Cl ZINC000156184876 197093170 /nfs/dbraw/zinc/09/31/70/197093170.db2.gz WXMZLXQPIDKKNZ-WPRPVWTQSA-N 1 0 317.220 2.139 10 0 DEAERO Cc1cccc([S@](=O)CC(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000156024623 197082030 /nfs/dbraw/zinc/08/20/30/197082030.db2.gz YXARNNQJLMYHNL-NRFANRHFSA-N 1 0 302.399 2.200 10 0 DEAERO Cc1ccccc1[S@](=O)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000156013055 197080820 /nfs/dbraw/zinc/08/08/20/197080820.db2.gz NMNMJKSVHVZHHP-NRFANRHFSA-N 1 0 302.399 2.200 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1Br ZINC000156004126 197080126 /nfs/dbraw/zinc/08/01/26/197080126.db2.gz MAVSUSQDNRPOJP-KWQFWETISA-N 1 0 315.186 2.445 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1cccc(F)c1Br ZINC000155994861 197079043 /nfs/dbraw/zinc/07/90/43/197079043.db2.gz UCWTWZDYGUWZMX-RKDXNWHRSA-N 1 0 315.186 2.411 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[S@@](=O)c1cccs1 ZINC000155970487 197078178 /nfs/dbraw/zinc/07/81/78/197078178.db2.gz DJOVQBNJWNYJCZ-FVINQWEUSA-N 1 0 308.428 2.342 10 0 DEAERO CC[NH2+]CCCNC(=O)c1cccc(F)c1Br ZINC000155972194 197078215 /nfs/dbraw/zinc/07/82/15/197078215.db2.gz TVIMFENWDPINGG-UHFFFAOYSA-N 1 0 303.175 2.318 10 0 DEAERO CC(C)C[C@@](C)(C[NH3+])Nc1ccccc1S(=O)(=O)N(C)C ZINC000155931364 197075518 /nfs/dbraw/zinc/07/55/18/197075518.db2.gz XJEGFVAJRVWLKP-HNNXBMFYSA-N 1 0 313.467 2.112 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC000155435545 197054639 /nfs/dbraw/zinc/05/46/39/197054639.db2.gz XLQGQMGZQVFWCU-HOCLYGCPSA-N 1 0 316.449 2.140 10 0 DEAERO CC(C)C(=O)N1CCC[N@H+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000155070676 197019152 /nfs/dbraw/zinc/01/91/52/197019152.db2.gz ZYDPYTVVPQWPAO-GOSISDBHSA-N 1 0 304.434 2.084 10 0 DEAERO C[C@@H](Cc1ccccc1Cl)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000155121234 197024676 /nfs/dbraw/zinc/02/46/76/197024676.db2.gz RLAUWPMUZJQNTA-DZGCQCFKSA-N 1 0 324.852 2.308 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000155124162 197024363 /nfs/dbraw/zinc/02/43/63/197024363.db2.gz FBEOCYVZFWZBSM-GJZGRUSLSA-N 1 0 317.364 2.267 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cn3ccccc3n2)C1 ZINC000559903199 291919243 /nfs/dbraw/zinc/91/92/43/291919243.db2.gz KJVZCTRJPGBWCD-DZGCQCFKSA-N 1 0 300.406 2.243 10 0 DEAERO CC(C)[C@@H](CNC(=O)N[C@@H](C)[C@@H](C)CO)[NH+]1CCC(C)CC1 ZINC000153462748 196880047 /nfs/dbraw/zinc/88/00/47/196880047.db2.gz WVTFVCGYHADHBJ-HRCADAONSA-N 1 0 313.486 2.059 10 0 DEAERO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000120823690 195244707 /nfs/dbraw/zinc/24/47/07/195244707.db2.gz ZVPDVBSVBDQYSO-JKSUJKDBSA-N 1 0 321.396 2.380 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000543637970 285300292 /nfs/dbraw/zinc/30/02/92/285300292.db2.gz RIKLLOQMKITVBZ-MUJYYYPQSA-N 1 0 309.454 2.141 10 0 DEAERO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3S(=O)(=O)C2CC2)cc1 ZINC000248127795 257108455 /nfs/dbraw/zinc/10/84/55/257108455.db2.gz XOFVQIAHDCBSQP-DLBZAZTESA-N 1 0 320.458 2.136 10 0 DEAERO CN(C)C(=O)[C@@H]1CO[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]2C1 ZINC000247990250 257111416 /nfs/dbraw/zinc/11/14/16/257111416.db2.gz LJFWLZNVNJQBBS-SOUVJXGZSA-N 1 0 308.447 2.063 10 0 DEAERO CO[C@@H]1CCN(C(=O)c2ccoc2C)[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000248040158 257111992 /nfs/dbraw/zinc/11/19/92/257111992.db2.gz SOAHTGKBSNOIPM-IXDOHACOSA-N 1 0 318.417 2.159 10 0 DEAERO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CC[N@@H+]3Cc2ccco2)n1 ZINC000247882409 257115317 /nfs/dbraw/zinc/11/53/17/257115317.db2.gz RKFGLKLTYGNMKN-SJORKVTESA-N 1 0 311.385 2.358 10 0 DEAERO c1coc(C[N@@H+]2C[C@@H](Oc3ccccn3)[C@@H]3OCCC[C@@H]32)c1 ZINC000247877514 257115674 /nfs/dbraw/zinc/11/56/74/257115674.db2.gz AZSYDUOBRJCQRC-ZMSDIMECSA-N 1 0 300.358 2.485 10 0 DEAERO O=C(C[C@@H]1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2O1)NCC1CC1 ZINC000247798327 257116882 /nfs/dbraw/zinc/11/68/82/257116882.db2.gz SWPVSFBZMDESDH-PMPSAXMXSA-N 1 0 320.458 2.254 10 0 DEAERO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cc(O)cc(O)c2)cc1 ZINC000028652142 257129879 /nfs/dbraw/zinc/12/98/79/257129879.db2.gz WHAUNCTVVNUUIP-KZULUSFZSA-N 1 0 317.385 2.361 10 0 DEAERO c1cncc(O[C@@H]2C[N@@H+](CC3CCOCC3)[C@H]3CCCO[C@@H]23)c1 ZINC000253480804 257105626 /nfs/dbraw/zinc/10/56/26/257105626.db2.gz YYNYXRCJEMAFBW-RCCFBDPRSA-N 1 0 318.417 2.119 10 0 DEAERO CNC(=O)CN1CCC([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000121801017 195350740 /nfs/dbraw/zinc/35/07/40/195350740.db2.gz ZXHDUKNUMQEKEC-CVEARBPZSA-N 1 0 309.498 2.391 10 0 DEAERO CCc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000121820270 195354084 /nfs/dbraw/zinc/35/40/84/195354084.db2.gz HTQVFQKACROSPI-INIZCTEOSA-N 1 0 319.449 2.280 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1Cl ZINC000126499364 195845566 /nfs/dbraw/zinc/84/55/66/195845566.db2.gz FPXURZRXBYJKAZ-VXGBXAGGSA-N 1 0 314.838 2.219 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000128323008 195955779 /nfs/dbraw/zinc/95/57/79/195955779.db2.gz ZDLHNAWHCVTQOP-UONOGXRCSA-N 1 0 307.463 2.095 10 0 DEAERO C[C@H](CC[S@@](C)=O)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000128381369 195959912 /nfs/dbraw/zinc/95/99/12/195959912.db2.gz SQWQKLBNIJGESG-DGIBIBHMSA-N 1 0 302.827 2.025 10 0 DEAERO COC(=O)CC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000128408793 195961091 /nfs/dbraw/zinc/96/10/91/195961091.db2.gz GBPZEXCMZQTFBN-UHFFFAOYSA-N 1 0 314.179 2.037 10 0 DEAERO CC1(C)CC[C@H]([NH3+])[C@H](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000128402633 195961523 /nfs/dbraw/zinc/96/15/23/195961523.db2.gz IPXSBHXPHMZNNQ-MJBXVCDLSA-N 1 0 302.484 2.202 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000545150664 285392122 /nfs/dbraw/zinc/39/21/22/285392122.db2.gz OESDEAHRYHJLLO-OAGGEKHMSA-N 1 0 321.465 2.141 10 0 DEAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2CCCC23CCCC3)nn1 ZINC000328803674 533524547 /nfs/dbraw/zinc/52/45/47/533524547.db2.gz BJKXPCULVZWKSD-BZUAXINKSA-N 1 0 320.437 2.067 10 0 DEAERO C[C@H](NC(=O)NCC1(CCO)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187790200 533633035 /nfs/dbraw/zinc/63/30/35/533633035.db2.gz ZPNRHQQPXGVSEK-LSDHHAIUSA-N 1 0 323.481 2.101 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NC1CC(c2ccccc2)C1 ZINC000545969593 285465697 /nfs/dbraw/zinc/46/56/97/285465697.db2.gz FHAQRHOZQPVDKJ-UHFFFAOYSA-N 1 0 310.401 2.161 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c(C)noc1Cl ZINC000174970631 132511638 /nfs/dbraw/zinc/51/16/38/132511638.db2.gz VVBRNAKXNGFJQU-VXGBXAGGSA-N 1 0 311.813 2.264 10 0 DEAERO CN(CC(=O)Nc1ccccc1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000177742561 132529659 /nfs/dbraw/zinc/52/96/59/132529659.db2.gz DSXKEDIKGBHVMK-VHRNVKJDSA-N 1 0 315.417 2.004 10 0 DEAERO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1Cl ZINC000194731543 132541070 /nfs/dbraw/zinc/54/10/70/132541070.db2.gz PKNLXIJKKIAKQF-GFCCVEGCSA-N 1 0 323.245 2.317 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000357763963 133098450 /nfs/dbraw/zinc/09/84/50/133098450.db2.gz QVPVAQMUHSKEOF-GFCCVEGCSA-N 1 0 303.410 2.092 10 0 DEAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357877353 133106564 /nfs/dbraw/zinc/10/65/64/133106564.db2.gz ZGIRCEAMDCJSMN-HIFRSBDPSA-N 1 0 315.421 2.235 10 0 DEAERO Cc1cc(CCNC(=O)NCCC[NH2+]C2CCCCC2)on1 ZINC000358036046 133116845 /nfs/dbraw/zinc/11/68/45/133116845.db2.gz CJFKFGKKZDDHCS-UHFFFAOYSA-N 1 0 308.426 2.137 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]CCN2CCN(C(=O)C3CCC3)CC2)o1 ZINC000358142345 133124252 /nfs/dbraw/zinc/12/42/52/133124252.db2.gz QTDWPQKQAGYIFX-HNNXBMFYSA-N 1 0 319.449 2.183 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCc3ccsc3C2)CC1 ZINC000358162345 133124851 /nfs/dbraw/zinc/12/48/51/133124851.db2.gz HIBHJXVBSHMWHI-UHFFFAOYSA-N 1 0 305.447 2.468 10 0 DEAERO CCN(Cc1ccccn1)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358184757 133126823 /nfs/dbraw/zinc/12/68/23/133126823.db2.gz GSTCICQLEQXCBV-UHFFFAOYSA-N 1 0 302.422 2.265 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CC=C(C)CC2)C1 ZINC000358198172 133127475 /nfs/dbraw/zinc/12/74/75/133127475.db2.gz XIAHTQCVOGRVCK-KRWDZBQOSA-N 1 0 322.497 2.012 10 0 DEAERO CCC[C@@H](C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC000360692451 133195239 /nfs/dbraw/zinc/19/52/39/133195239.db2.gz PQJZSFRZMVXYIS-KGLIPLIRSA-N 1 0 320.437 2.383 10 0 DEAERO CC[NH+]1CCC(NC(=O)CN2CC3(CC3)c3ccccc32)CC1 ZINC000362484011 133232752 /nfs/dbraw/zinc/23/27/52/133232752.db2.gz IQNSZRRMBKDOIL-UHFFFAOYSA-N 1 0 313.445 2.139 10 0 DEAERO COc1ccc(CCNC(=O)CC2CC[NH+](C)CC2)c(OC)c1 ZINC000362682017 133245447 /nfs/dbraw/zinc/24/54/47/133245447.db2.gz VMDPPGWGQVRUJP-UHFFFAOYSA-N 1 0 320.433 2.094 10 0 DEAERO C[C@@H]1CN(c2ccc(I)cc2)[C@@H](C)C[NH2+]1 ZINC000035929668 134693837 /nfs/dbraw/zinc/69/38/37/134693837.db2.gz OGQVPHNJYFVDEX-ZJUUUORDSA-N 1 0 316.186 2.478 10 0 DEAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000178780081 144865892 /nfs/dbraw/zinc/86/58/92/144865892.db2.gz GYWFJMWFUQWHEB-IHRRRGAJSA-N 1 0 323.234 2.421 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]CCCn2nc(C)cc2C)C12CCOCC2 ZINC000186208378 144977716 /nfs/dbraw/zinc/97/77/16/144977716.db2.gz RRMQRMBXKMAEKM-IRXDYDNUSA-N 1 0 321.465 2.454 10 0 DEAERO COc1cc(OC)cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186507076 144983776 /nfs/dbraw/zinc/98/37/76/144983776.db2.gz GCYVJQVUZFBBBM-ZDUSSCGKSA-N 1 0 304.390 2.060 10 0 DEAERO O=C(c1cc(-c2ccccc2)n[nH]1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186554132 144984951 /nfs/dbraw/zinc/98/49/51/144984951.db2.gz JHKWBAIQWMQURX-CQSZACIVSA-N 1 0 310.401 2.433 10 0 DEAERO CCCOc1nc(C)ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000188615506 145014465 /nfs/dbraw/zinc/01/44/65/145014465.db2.gz SUBHDORXKJSOIN-CABCVRRESA-N 1 0 317.433 2.488 10 0 DEAERO COc1ccccc1/C(C)=C/C(=O)N1CC[NH+]2CCC1CC2 ZINC000188634126 145015257 /nfs/dbraw/zinc/01/52/57/145015257.db2.gz QQMAZWDFWIYBER-BUHFOSPRSA-N 1 0 300.402 2.405 10 0 DEAERO FC(F)COCC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000189724071 145032999 /nfs/dbraw/zinc/03/29/99/145032999.db2.gz IQNISFCDQVQOPY-LLVKDONJSA-N 1 0 300.353 2.074 10 0 DEAERO CCN1CN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1=O ZINC000190555852 145044441 /nfs/dbraw/zinc/04/44/41/145044441.db2.gz QKZRNAITIXCVJT-UHFFFAOYSA-N 1 0 317.433 2.179 10 0 DEAERO CCc1nnc(C2CC[NH+](CCOCC(F)(F)F)CC2)[nH]1 ZINC000190704450 145046242 /nfs/dbraw/zinc/04/62/42/145046242.db2.gz YSPQENFJNVZQHT-UHFFFAOYSA-N 1 0 306.332 2.125 10 0 DEAERO CCc1nnc(C2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)[nH]1 ZINC000190691283 145046762 /nfs/dbraw/zinc/04/67/62/145046762.db2.gz OTOZXMBZEXICJV-HNNXBMFYSA-N 1 0 306.454 2.488 10 0 DEAERO CCn1cc([C@H]2CN(CC[NH+]3CCC(C)CC3)CCO2)cn1 ZINC000190807578 145048731 /nfs/dbraw/zinc/04/87/31/145048731.db2.gz YGEHVDRNUDKQFV-QGZVFWFLSA-N 1 0 306.454 2.008 10 0 DEAERO Cn1ccnc1[C@H](O)C1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000190915197 145049732 /nfs/dbraw/zinc/04/97/32/145049732.db2.gz PQGGHYIARURRAT-DLBZAZTESA-N 1 0 321.465 2.107 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNCc1nccn1-c1ccccc1 ZINC000190944115 145050764 /nfs/dbraw/zinc/05/07/64/145050764.db2.gz IJSPVSPVCCXCBW-QGZVFWFLSA-N 1 0 314.433 2.073 10 0 DEAERO COc1cccc(C[NH2+]CCc2csc(N3CCCC3)n2)n1 ZINC000191111507 145053254 /nfs/dbraw/zinc/05/32/54/145053254.db2.gz WAKOVDNHNAJFIX-UHFFFAOYSA-N 1 0 318.446 2.479 10 0 DEAERO COCCN1CCC[N@H+](CC(C)(C)c2ccccc2)CC1=O ZINC000191702185 145062711 /nfs/dbraw/zinc/06/27/11/145062711.db2.gz BKMCFXOLCWBDDB-UHFFFAOYSA-N 1 0 304.434 2.145 10 0 DEAERO CC(C)c1cccc2c1CC[N@H+](C[C@H](O)CN1CCCC1=O)C2 ZINC000191895303 145066679 /nfs/dbraw/zinc/06/66/79/145066679.db2.gz KXVRTFGEPUUZQY-INIZCTEOSA-N 1 0 316.445 2.151 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2cc(OC)ccc2Cl)CC1 ZINC000192045070 145070457 /nfs/dbraw/zinc/07/04/57/145070457.db2.gz XBANKKCIFLGNSS-CQSZACIVSA-N 1 0 312.841 2.237 10 0 DEAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000192499539 145074567 /nfs/dbraw/zinc/07/45/67/145074567.db2.gz XLHYIOXUPQFCBK-YJBOKZPZSA-N 1 0 312.413 2.411 10 0 DEAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000192499551 145074753 /nfs/dbraw/zinc/07/47/53/145074753.db2.gz XLHYIOXUPQFCBK-CRAIPNDOSA-N 1 0 312.413 2.411 10 0 DEAERO Cc1cc(=O)[nH]c([C@H](C)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000192544805 145075090 /nfs/dbraw/zinc/07/50/90/145075090.db2.gz OLIYMJAMATYFBG-AWEZNQCLSA-N 1 0 304.438 2.359 10 0 DEAERO COc1ccnc(NC2CC[NH+](CCOCCC(C)C)CC2)n1 ZINC000192860037 145080068 /nfs/dbraw/zinc/08/00/68/145080068.db2.gz KBUIRRRNZJKBRH-UHFFFAOYSA-N 1 0 322.453 2.424 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)[C@H]1CCCO1 ZINC000193128414 145082924 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DEAERO C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CC(=O)Nc3ccccc32)[C@@H](C)C1 ZINC000248552322 145158815 /nfs/dbraw/zinc/15/88/15/145158815.db2.gz JCDMWLKXTSYNKO-RDBSUJKOSA-N 1 0 315.417 2.386 10 0 DEAERO Cn1cc(-c2cc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)on2)cn1 ZINC000248906376 145173478 /nfs/dbraw/zinc/17/34/78/145173478.db2.gz BHDNDNNIHATEFV-LRDDRELGSA-N 1 0 302.378 2.076 10 0 DEAERO COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@H](C)[C@H](C)[NH3+])C2)c1 ZINC000248971572 145174194 /nfs/dbraw/zinc/17/41/94/145174194.db2.gz DFUSRMSBLZHNFW-FRRDWIJNSA-N 1 0 306.406 2.003 10 0 DEAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)N1CCCc2ccccc21 ZINC000249091146 145178409 /nfs/dbraw/zinc/17/84/09/145178409.db2.gz UQNNTFAIZMFIMV-MIFYACCESA-N 1 0 302.418 2.200 10 0 DEAERO O[C@H](C[N@@H+]1CCCC[C@H]1CN1CCOCC1)C1CCCCC1 ZINC000249137994 145179694 /nfs/dbraw/zinc/17/96/94/145179694.db2.gz VSQMLMLCINLZND-ZWKOTPCHSA-N 1 0 310.482 2.114 10 0 DEAERO CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000249270259 145181397 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2.321 10 0 DEAERO CCc1nc(NC(=O)CN2CC[C@H](C)[C@@H](OC)C2)sc1C ZINC000252012427 145198196 /nfs/dbraw/zinc/19/81/96/145198196.db2.gz XTBHQZXVGVAFET-GWCFXTLKSA-N 1 0 311.451 2.309 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000252658249 145199959 /nfs/dbraw/zinc/19/99/59/145199959.db2.gz YCUBAXKHXJGLPN-WCQYABFASA-N 1 0 305.378 2.266 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C(=O)OC)c(C)o1 ZINC000252917523 145200486 /nfs/dbraw/zinc/20/04/86/145200486.db2.gz MTWQYFMQRRPNSY-KGLIPLIRSA-N 1 0 306.406 2.433 10 0 DEAERO CO[C@](C)(C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1F ZINC000253335841 145201514 /nfs/dbraw/zinc/20/15/14/145201514.db2.gz ASTYJHGGRBGPJB-GLJUWKHASA-N 1 0 320.408 2.382 10 0 DEAERO CCO[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000253354695 145202029 /nfs/dbraw/zinc/20/20/29/145202029.db2.gz HYABEWLPQHMHAH-IRXDYDNUSA-N 1 0 317.433 2.254 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C/C=C\c2ccccc2OC)CC1 ZINC000255752723 145205206 /nfs/dbraw/zinc/20/52/06/145205206.db2.gz CFLXQNUAEGALFY-BQLWYNFJSA-N 1 0 304.434 2.097 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000261563237 145207551 /nfs/dbraw/zinc/20/75/51/145207551.db2.gz AGRDDWJAEFAWDA-LBPRGKRZSA-N 1 0 302.827 2.088 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1noc2ccccc12 ZINC000261615333 145210692 /nfs/dbraw/zinc/21/06/92/145210692.db2.gz GRQJDXDVNWWRHL-CSCWVGTJSA-N 1 0 313.401 2.393 10 0 DEAERO Cc1cnn(CCC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1 ZINC000261645730 145212822 /nfs/dbraw/zinc/21/28/22/145212822.db2.gz COYUUWLDUIYLDV-UHFFFAOYSA-N 1 0 302.353 2.005 10 0 DEAERO COc1cc(OC)c(OC)cc1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261645978 145212861 /nfs/dbraw/zinc/21/28/61/145212861.db2.gz DSRFKCIDWWWJHI-YIONKMFJSA-N 1 0 320.433 2.427 10 0 DEAERO CC1(C)CN(C(=O)CCSCc2ccccn2)CC[C@@H]1[NH3+] ZINC000261684366 145216188 /nfs/dbraw/zinc/21/61/88/145216188.db2.gz ATFLBNCGIOCZIJ-AWEZNQCLSA-N 1 0 307.463 2.291 10 0 DEAERO Cc1cccc(NC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)c1C ZINC000261683458 145216313 /nfs/dbraw/zinc/21/63/13/145216313.db2.gz IMCBEDMRDFTHPJ-SFHVURJKSA-N 1 0 324.428 2.283 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261713007 145219058 /nfs/dbraw/zinc/21/90/58/145219058.db2.gz PHBMNFVTQPNDNH-STQMWFEESA-N 1 0 314.426 2.190 10 0 DEAERO CC1(C)CN(C(=O)c2ccc(C(F)(F)F)nc2)CC[C@@H]1[NH3+] ZINC000261724512 145220751 /nfs/dbraw/zinc/22/07/51/145220751.db2.gz QMIFSDCRFUDFRZ-JTQLQIEISA-N 1 0 301.312 2.300 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261724457 145220986 /nfs/dbraw/zinc/22/09/86/145220986.db2.gz NSSWPXIAGKAMIP-DOTOQJQBSA-N 1 0 317.477 2.401 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000261753865 145222575 /nfs/dbraw/zinc/22/25/75/145222575.db2.gz UEEMUWZLYJYUNS-JOYOIKCWSA-N 1 0 302.296 2.313 10 0 DEAERO CCCn1ccc2cc(NC(=O)C3([NH3+])CCOCC3)ccc21 ZINC000261760710 145223506 /nfs/dbraw/zinc/22/35/06/145223506.db2.gz FXLNAOVRTLPWHL-UHFFFAOYSA-N 1 0 301.390 2.498 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2ccc3c(c2)NC(=O)CCS3)n1 ZINC000261777072 145225052 /nfs/dbraw/zinc/22/50/52/145225052.db2.gz NOZODMBUZWPLBX-SECBINFHSA-N 1 0 318.402 2.321 10 0 DEAERO COc1csc(C(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000261789479 145226335 /nfs/dbraw/zinc/22/63/35/145226335.db2.gz UFDIGLMHODNURI-UHFFFAOYSA-N 1 0 304.415 2.400 10 0 DEAERO COc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1OC ZINC000261810717 145229312 /nfs/dbraw/zinc/22/93/12/145229312.db2.gz VSZRYUBVMKZRQM-YIONKMFJSA-N 1 0 320.433 2.427 10 0 DEAERO CC(C)(C)n1cc(C(=O)N(CC[NH3+])CCc2ccccc2)cn1 ZINC000261821514 145230191 /nfs/dbraw/zinc/23/01/91/145230191.db2.gz YAELXRDCTXLVFB-UHFFFAOYSA-N 1 0 314.433 2.282 10 0 DEAERO C[C@H]1CCCN1C(=O)CCN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261829099 145231574 /nfs/dbraw/zinc/23/15/74/145231574.db2.gz SUNKJJFFLQRJML-YOEHRIQHSA-N 1 0 319.424 2.173 10 0 DEAERO CCc1ccccc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261845448 145232895 /nfs/dbraw/zinc/23/28/95/145232895.db2.gz IYZVNUXTWQSIEZ-GPMSIDNRSA-N 1 0 316.445 2.398 10 0 DEAERO C[C@@H](C(=O)N1CCc2ccccc21)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261850167 145233049 /nfs/dbraw/zinc/23/30/49/145233049.db2.gz RLGWEPXXEYJIMH-BBRMVZONSA-N 1 0 301.434 2.023 10 0 DEAERO COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261859598 145234288 /nfs/dbraw/zinc/23/42/88/145234288.db2.gz OKQVPDFFPQTJFA-KFWWJZLASA-N 1 0 310.438 2.004 10 0 DEAERO CCOc1ccc2c(c1)C[C@@H](c1nc(C[C@H](C)[NH2+]C)no1)CO2 ZINC000261862776 145235003 /nfs/dbraw/zinc/23/50/03/145235003.db2.gz UMEWBRUVGYFIMC-WCQYABFASA-N 1 0 317.389 2.337 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCc1cccc(F)c1 ZINC000261876652 145237074 /nfs/dbraw/zinc/23/70/74/145237074.db2.gz LYFSNGYGWRJNLR-HDMKZQKVSA-N 1 0 320.408 2.017 10 0 DEAERO [NH3+][C@H](C(=O)Nc1ccc2nc(C3CC3)oc2c1)C1CCOCC1 ZINC000261909974 145240036 /nfs/dbraw/zinc/24/00/36/145240036.db2.gz XLBKCITVYJJIRO-HNNXBMFYSA-N 1 0 315.373 2.398 10 0 DEAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000261914122 145241020 /nfs/dbraw/zinc/24/10/20/145241020.db2.gz YLICRQBKVDUZLD-WDEREUQCSA-N 1 0 302.353 2.025 10 0 DEAERO COCC[C@]1(c2nc(Cc3cccc(F)c3)no2)CC[NH2+]C1 ZINC000261923309 145242368 /nfs/dbraw/zinc/24/23/68/145242368.db2.gz BVXPJKNIYMFFNZ-MRXNPFEDSA-N 1 0 305.353 2.067 10 0 DEAERO [NH3+]C1(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CCOCC1 ZINC000261955438 145246383 /nfs/dbraw/zinc/24/63/83/145246383.db2.gz ZQJPJWTWDCYEKI-UHFFFAOYSA-N 1 0 322.836 2.386 10 0 DEAERO [NH3+]Cc1ccc(-c2noc(CS(=O)(=O)C3CCCC3)n2)cc1 ZINC000261984017 145249822 /nfs/dbraw/zinc/24/98/22/145249822.db2.gz JMDFTSDUSNDUQI-UHFFFAOYSA-N 1 0 321.402 2.053 10 0 DEAERO c1sc(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)nc1C1CC1 ZINC000261995503 145251501 /nfs/dbraw/zinc/25/15/01/145251501.db2.gz TZCUMPKSJBHTDZ-MCIONIFRSA-N 1 0 307.463 2.267 10 0 DEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1F ZINC000262029126 145254832 /nfs/dbraw/zinc/25/48/32/145254832.db2.gz XJJUJHRNMRGYCA-IMJJTQAJSA-N 1 0 308.397 2.081 10 0 DEAERO CSc1cc2c(cc1CN1CC[C@]3(CC[NH2+]C3)C1)OCCO2 ZINC000262097122 145261277 /nfs/dbraw/zinc/26/12/77/145261277.db2.gz VHPMVCIXUNQXEN-KRWDZBQOSA-N 1 0 320.458 2.365 10 0 DEAERO C[C@@H]1CCC[C@H](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262142339 145266242 /nfs/dbraw/zinc/26/62/42/145266242.db2.gz HFXJESTXZBFKAS-SRABZTEZSA-N 1 0 318.465 2.056 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CC[NH2+]1 ZINC000262314335 145275642 /nfs/dbraw/zinc/27/56/42/145275642.db2.gz AZOLPPRMBBSKMQ-AVGNSLFASA-N 1 0 323.387 2.048 10 0 DEAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000262317922 145276031 /nfs/dbraw/zinc/27/60/31/145276031.db2.gz BVZMATCFHPYXTC-DZKIICNBSA-N 1 0 312.417 2.438 10 0 DEAERO CC(C)Oc1ccc([C@H](CNC2=[NH+]CCCN2)N(C)C)cc1 ZINC000262319207 145276256 /nfs/dbraw/zinc/27/62/56/145276256.db2.gz QLVKMOIWZXZTQL-INIZCTEOSA-N 1 0 304.438 2.015 10 0 DEAERO Cc1cccc(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)c1C ZINC000262359013 145278602 /nfs/dbraw/zinc/27/86/02/145278602.db2.gz JZEQPUQLHQSCOQ-UHFFFAOYSA-N 1 0 313.405 2.151 10 0 DEAERO C[C@@H](CC(=O)Nc1ccccc1C(=O)NCC[NH3+])C(C)(C)C ZINC000262403535 145282168 /nfs/dbraw/zinc/28/21/68/145282168.db2.gz CNGKXPRZXCWVQE-LBPRGKRZSA-N 1 0 305.422 2.386 10 0 DEAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000262422463 145282525 /nfs/dbraw/zinc/28/25/25/145282525.db2.gz VFMHSUIZPCGZFE-ZDUSSCGKSA-N 1 0 319.453 2.437 10 0 DEAERO C[C@H]1C[C@@H](C(=O)NCc2cc(Cl)c3c(c2)OCCO3)CC[NH2+]1 ZINC000262424968 145283193 /nfs/dbraw/zinc/28/31/93/145283193.db2.gz RAWWJRYFVGLUIN-JQWIXIFHSA-N 1 0 324.808 2.116 10 0 DEAERO CCc1nc(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)sc1C ZINC000262440071 145284588 /nfs/dbraw/zinc/28/45/88/145284588.db2.gz USPIZTBYFWMYHB-SUMWQHHRSA-N 1 0 321.490 2.452 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)C1C[NH2+]C1 ZINC000262478045 145286504 /nfs/dbraw/zinc/28/65/04/145286504.db2.gz ZDHDQIDOCYVFJF-GFCCVEGCSA-N 1 0 321.384 2.215 10 0 DEAERO COc1cc2nc(C)sc2cc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262498608 145287947 /nfs/dbraw/zinc/28/79/47/145287947.db2.gz ILOPEKSXSULELZ-MRVPVSSYSA-N 1 0 305.403 2.407 10 0 DEAERO COc1cccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000262504448 145288669 /nfs/dbraw/zinc/28/86/69/145288669.db2.gz MIGXXBWNARESKH-GRDNDAEWSA-N 1 0 304.390 2.166 10 0 DEAERO C[C@H](C(=O)NCc1cc(Cl)ccc1OC(F)F)C1C[NH2+]C1 ZINC000262527583 145290653 /nfs/dbraw/zinc/29/06/53/145290653.db2.gz LOCRPCQNLSUSCY-QMMMGPOBSA-N 1 0 318.751 2.413 10 0 DEAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000262590011 145295378 /nfs/dbraw/zinc/29/53/78/145295378.db2.gz CTLQRIPKSSWYMI-DZGCQCFKSA-N 1 0 310.825 2.475 10 0 DEAERO Cc1ccc([C@@H](O)CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000262649887 145298433 /nfs/dbraw/zinc/29/84/33/145298433.db2.gz URQGQSZBVDSDMP-PBHICJAKSA-N 1 0 304.434 2.170 10 0 DEAERO COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000262690765 145300371 /nfs/dbraw/zinc/30/03/71/145300371.db2.gz AGGYHKLSMCLDFN-CVEARBPZSA-N 1 0 324.465 2.394 10 0 DEAERO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262723132 145302105 /nfs/dbraw/zinc/30/21/05/145302105.db2.gz GHGDIHGAAXCGEZ-IUODEOHRSA-N 1 0 313.401 2.307 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCC(=O)c1ccc(F)cc1F ZINC000262722759 145302255 /nfs/dbraw/zinc/30/22/55/145302255.db2.gz GFXIVDXGRXGAIC-QMTHXVAHSA-N 1 0 310.344 2.042 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000262769045 145304103 /nfs/dbraw/zinc/30/41/03/145304103.db2.gz LREHCYXYCPHDIK-SCZZXKLOSA-N 1 0 323.245 2.270 10 0 DEAERO CCc1ccc([C@H](C)c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263189013 145334459 /nfs/dbraw/zinc/33/44/59/145334459.db2.gz HQSNJSDHMLHHNR-WFASDCNBSA-N 1 0 300.406 2.360 10 0 DEAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000263203913 145335930 /nfs/dbraw/zinc/33/59/30/145335930.db2.gz JKAVNQODMKJDJF-JOYOIKCWSA-N 1 0 308.731 2.029 10 0 DEAERO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000357125305 147046390 /nfs/dbraw/zinc/04/63/90/147046390.db2.gz ZUXSDWZSTKXTTA-KGLIPLIRSA-N 1 0 320.433 2.499 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000358416947 147129166 /nfs/dbraw/zinc/12/91/66/147129166.db2.gz VOWPEUXFXZAORE-KRWDZBQOSA-N 1 0 322.412 2.352 10 0 DEAERO Cc1cc(C[C@H](C)NC(=O)NCC(C)(C)C[NH+]2CCCC2)[nH]n1 ZINC000358756735 147198078 /nfs/dbraw/zinc/19/80/78/147198078.db2.gz VQUKMHUOBGIFTE-ZDUSSCGKSA-N 1 0 321.469 2.070 10 0 DEAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@](C)(O)C1CCCCC1 ZINC000359208664 147282402 /nfs/dbraw/zinc/28/24/02/147282402.db2.gz KAVPHVYDWNRLQL-SKDZVZGDSA-N 1 0 323.481 2.100 10 0 DEAERO COCCN(C(=O)NCC[N@H+]1CC=C(C)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000359285294 147299607 /nfs/dbraw/zinc/29/96/07/147299607.db2.gz ZWBSACRUGZSZIZ-IAGOWNOFSA-N 1 0 323.481 2.485 10 0 DEAERO COC[C@@H](O)CN[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000370329122 148007062 /nfs/dbraw/zinc/00/70/62/148007062.db2.gz ZKSDCLKJEQSHJS-SKDRFNHKSA-N 1 0 311.769 2.048 10 0 DEAERO O=C([C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1)N1CCCC1 ZINC000370683830 148044621 /nfs/dbraw/zinc/04/46/21/148044621.db2.gz WPZTZZMRNCOEMV-AWEZNQCLSA-N 1 0 306.381 2.149 10 0 DEAERO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000371803442 148141872 /nfs/dbraw/zinc/14/18/72/148141872.db2.gz PLRKVSZTERKXKX-OAHLLOKOSA-N 1 0 304.438 2.422 10 0 DEAERO O=C1[C@H]([NH2+]Cc2cccc3[nH]ccc32)CCN1C1CCOCC1 ZINC000371820855 148144237 /nfs/dbraw/zinc/14/42/37/148144237.db2.gz QPCIFWBDRDPIOR-QGZVFWFLSA-N 1 0 313.401 2.037 10 0 DEAERO COc1cccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)n1 ZINC000375401345 148367147 /nfs/dbraw/zinc/36/71/47/148367147.db2.gz HKUXXJXHKBTUGI-LBPRGKRZSA-N 1 0 300.362 2.340 10 0 DEAERO OC[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1c[nH]c2nccnc12 ZINC000378140689 148486973 /nfs/dbraw/zinc/48/69/73/148486973.db2.gz ZYVRFBKIARQJOV-LJQANCHMSA-N 1 0 322.412 2.479 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000565892012 292189282 /nfs/dbraw/zinc/18/92/82/292189282.db2.gz GEPNBQFVULEOSQ-CQSZACIVSA-N 1 0 314.476 2.129 10 0 DEAERO C[C@@H](Cn1c(=O)[nH]c2ccccc2c1=O)[N@H+](C)Cc1ccccc1 ZINC000111672585 401721053 /nfs/dbraw/zinc/72/10/53/401721053.db2.gz GOXQRMHZRQDTLQ-AWEZNQCLSA-N 1 0 323.396 2.210 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC000127232734 401725236 /nfs/dbraw/zinc/72/52/36/401725236.db2.gz XNPYPCQIDWGMLU-DOMZBBRYSA-N 1 0 306.454 2.463 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1CCC(C)CC1 ZINC000111839117 401725764 /nfs/dbraw/zinc/72/57/64/401725764.db2.gz HWRRGTVPAHCQCX-UYSNPLJNSA-N 1 0 311.470 2.223 10 0 DEAERO CCc1nc(CNC(=O)N2CCC([NH2+]C(C)C)CC2)cs1 ZINC000111861638 401726351 /nfs/dbraw/zinc/72/63/51/401726351.db2.gz NPHZRJNPQGAQID-UHFFFAOYSA-N 1 0 310.467 2.378 10 0 DEAERO COc1ccc(C)nc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000127449411 401735696 /nfs/dbraw/zinc/73/56/96/401735696.db2.gz GSRAYOIPJDMMNK-AAEUAGOBSA-N 1 0 306.410 2.249 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC000127567941 401740596 /nfs/dbraw/zinc/74/05/96/401740596.db2.gz GLGJNVUVDVYAGL-OCCSQVGLSA-N 1 0 306.454 2.176 10 0 DEAERO CC[C@H]1CCCCCN1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000074657118 401743259 /nfs/dbraw/zinc/74/32/59/401743259.db2.gz IPKZKQVGLKNXKM-IRXDYDNUSA-N 1 0 324.513 2.234 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC000112460735 401746468 /nfs/dbraw/zinc/74/64/68/401746468.db2.gz SEUAQNFUZQJHHT-GJZGRUSLSA-N 1 0 311.470 2.175 10 0 DEAERO CC[C@H]1C[N@H+](CCCCCn2cc(C)cn2)CCN1CCOC ZINC000111228122 401701998 /nfs/dbraw/zinc/70/19/98/401701998.db2.gz HQISMLDIYQSYIN-SFHVURJKSA-N 1 0 322.497 2.404 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@@H]1c2ccccc2NC1=O ZINC000126818658 401710138 /nfs/dbraw/zinc/71/01/38/401710138.db2.gz UDLPVLFBCKBIBB-DZGCQCFKSA-N 1 0 317.433 2.205 10 0 DEAERO COc1ccc(OC)c([C@@H](C[NH3+])S(=O)(=O)c2ccccc2)c1 ZINC000008037514 401747881 /nfs/dbraw/zinc/74/78/81/401747881.db2.gz QJHQUAFQOZMCQO-MRXNPFEDSA-N 1 0 321.398 2.178 10 0 DEAERO COc1ccc(S(=O)(=O)[C@H](C[NH3+])c2ccc(C)cc2)cc1 ZINC000008031209 401747967 /nfs/dbraw/zinc/74/79/67/401747967.db2.gz IWLGUGKYHHYLAS-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO Cn1cc(N2CC[C@@H]([N@@H+]3CCC[C@@]4(CC=CCC4)C3)C2=O)cn1 ZINC000114494420 401802581 /nfs/dbraw/zinc/80/25/81/401802581.db2.gz HPOZFENHVLDSIR-AEFFLSMTSA-N 1 0 314.433 2.348 10 0 DEAERO C[C@@H](CC[NH2+]Cc1cnn(Cc2ccccc2)c1)[S@](C)=O ZINC000129506774 401805248 /nfs/dbraw/zinc/80/52/48/401805248.db2.gz OMGVFGFCDDHBRV-LHSJRXKWSA-N 1 0 305.447 2.178 10 0 DEAERO CN(CC[NH+]1CCCCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000077285794 401808788 /nfs/dbraw/zinc/80/87/88/401808788.db2.gz NFIYGONOXRLMSD-QGZVFWFLSA-N 1 0 301.434 2.210 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(Br)c(F)c2)CCOCC1 ZINC000127992225 401758720 /nfs/dbraw/zinc/75/87/20/401758720.db2.gz MLZPJVVNHBGZKH-UHFFFAOYSA-N 1 0 317.158 2.035 10 0 DEAERO CCC[C@H](C(=O)Nc1cc(F)cc(N2CCOCC2)c1)[NH+](C)C ZINC000128079351 401761999 /nfs/dbraw/zinc/76/19/99/401761999.db2.gz NCLKPNAFXHITJW-MRXNPFEDSA-N 1 0 323.412 2.331 10 0 DEAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000075714586 401766942 /nfs/dbraw/zinc/76/69/42/401766942.db2.gz GOPVWFKIUHRBNR-STQMWFEESA-N 1 0 316.380 2.097 10 0 DEAERO CCC[C@@H](C(=O)Nc1cccc(-c2ncn(C)n2)c1)[NH+](C)C ZINC000128292310 401770355 /nfs/dbraw/zinc/77/03/55/401770355.db2.gz UYDNMNGBGJKBSG-AWEZNQCLSA-N 1 0 301.394 2.151 10 0 DEAERO COc1ccc(SCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113226681 401770417 /nfs/dbraw/zinc/77/04/17/401770417.db2.gz OESOVVQAXFSGEN-UONOGXRCSA-N 1 0 320.458 2.482 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2ncon2)cc1 ZINC000113222406 401770455 /nfs/dbraw/zinc/77/04/55/401770455.db2.gz CFPHEZRLFUBFPR-IUODEOHRSA-N 1 0 312.373 2.045 10 0 DEAERO CCC(=O)Nc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113224347 401770483 /nfs/dbraw/zinc/77/04/83/401770483.db2.gz JIZWZPMIFIBIIH-XJKSGUPXSA-N 1 0 315.417 2.344 10 0 DEAERO OCCOCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000010435674 401770573 /nfs/dbraw/zinc/77/05/73/401770573.db2.gz OJNXCIMXTJNJLS-UHFFFAOYSA-N 1 0 301.386 2.364 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000113222329 401770634 /nfs/dbraw/zinc/77/06/34/401770634.db2.gz CXGUBDROKMQQTE-CXAGYDPISA-N 1 0 312.413 2.053 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1coc(Br)c1 ZINC000113226179 401770671 /nfs/dbraw/zinc/77/06/71/401770671.db2.gz MTVMKWNLLXGJLW-MWLCHTKSSA-N 1 0 313.195 2.351 10 0 DEAERO Cc1cccc(C)c1OCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113226822 401770886 /nfs/dbraw/zinc/77/08/86/401770886.db2.gz GNACIOYMXGURHW-HOTGVXAUSA-N 1 0 302.418 2.377 10 0 DEAERO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]([C@@H]2CCCCNC2=O)C1 ZINC000011165748 401773454 /nfs/dbraw/zinc/77/34/54/401773454.db2.gz AUUMVKPVEAHHES-GDBMZVCRSA-N 1 0 315.417 2.006 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(F)cc1F ZINC000113271845 401774508 /nfs/dbraw/zinc/77/45/08/401774508.db2.gz HZGBDRPQLCLHNZ-WCQYABFASA-N 1 0 309.360 2.072 10 0 DEAERO COCCOc1cccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000128387681 401774632 /nfs/dbraw/zinc/77/46/32/401774632.db2.gz MLMKZCSUFALUOW-MRXNPFEDSA-N 1 0 315.417 2.435 10 0 DEAERO CCCC[N@H+](C)CC1CCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000129855462 401810277 /nfs/dbraw/zinc/81/02/77/401810277.db2.gz SOPOMXGQNWBZGS-UHFFFAOYSA-N 1 0 319.449 2.267 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(Cl)nc1 ZINC000113598178 401782992 /nfs/dbraw/zinc/78/29/92/401782992.db2.gz BXNZKYYAOGNHDY-WCQYABFASA-N 1 0 308.813 2.113 10 0 DEAERO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)N1CCCCCC1 ZINC000128695388 401788116 /nfs/dbraw/zinc/78/81/16/401788116.db2.gz UMDHSBRQQSPXIR-HOTGVXAUSA-N 1 0 304.438 2.359 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1C(C)C ZINC000128918324 401796240 /nfs/dbraw/zinc/79/62/40/401796240.db2.gz WAGRRILUTDZJFT-ZDUSSCGKSA-N 1 0 305.422 2.473 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(F)cc2)[C@H](C)C1 ZINC000076487076 401796497 /nfs/dbraw/zinc/79/64/97/401796497.db2.gz IYPVNANLRBLZGQ-CZUORRHYSA-N 1 0 308.397 2.393 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)COc1ccc(F)cc1F ZINC000077730555 401827860 /nfs/dbraw/zinc/82/78/60/401827860.db2.gz XYBFIXKBQLLTKL-ZDUSSCGKSA-N 1 0 314.376 2.436 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000077804270 401832876 /nfs/dbraw/zinc/83/28/76/401832876.db2.gz KTITXKXVHFZTAS-GDBMZVCRSA-N 1 0 311.470 2.101 10 0 DEAERO CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000025926938 401837794 /nfs/dbraw/zinc/83/77/94/401837794.db2.gz FSMUXXZSCZSBBA-OAHLLOKOSA-N 1 0 306.406 2.367 10 0 DEAERO Cc1cccc(NC(=O)CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000027117842 401843858 /nfs/dbraw/zinc/84/38/58/401843858.db2.gz LNAGYDUIWVYYQQ-UHFFFAOYSA-N 1 0 301.434 2.494 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccn1 ZINC000116246904 401846957 /nfs/dbraw/zinc/84/69/57/401846957.db2.gz MBGSUIWBSOJDKF-ZBFHGGJFSA-N 1 0 310.401 2.117 10 0 DEAERO COc1ccc(OCC[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116324198 401849954 /nfs/dbraw/zinc/84/99/54/401849954.db2.gz AQRQOBVHCPQXJF-CQSZACIVSA-N 1 0 301.390 2.297 10 0 DEAERO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116322326 401850077 /nfs/dbraw/zinc/85/00/77/401850077.db2.gz NLNJJHHIHATQRL-HOCLYGCPSA-N 1 0 318.465 2.294 10 0 DEAERO O=C(Cc1cnc2ccccc2c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000131425231 401850616 /nfs/dbraw/zinc/85/06/16/401850616.db2.gz NORYCDOIFXLCQV-QGZVFWFLSA-N 1 0 309.413 2.474 10 0 DEAERO CN(C(=O)NCCCC[NH+]1CCOCC1)C1CCCCCC1 ZINC000079391890 401872529 /nfs/dbraw/zinc/87/25/29/401872529.db2.gz DHEBIYGSNBJQAD-UHFFFAOYSA-N 1 0 311.470 2.463 10 0 DEAERO CC[C@@H](Sc1ccccc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783276 401858430 /nfs/dbraw/zinc/85/84/30/401858430.db2.gz RMOSUZFDSWDAAJ-GDBMZVCRSA-N 1 0 322.474 2.346 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)Cc2ccc(C)cc2)C[C@@H]1CC ZINC000116770300 401858694 /nfs/dbraw/zinc/85/86/94/401858694.db2.gz MCGSVKNYPHXKPP-SFHVURJKSA-N 1 0 318.461 2.497 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)C(=O)N1c1ccccc1 ZINC000119092705 401925220 /nfs/dbraw/zinc/92/52/20/401925220.db2.gz KNCVEJHNZXXIOE-GUYCJALGSA-N 1 0 323.396 2.069 10 0 DEAERO c1csc(-c2noc(-c3cccnc3N3CC[NH2+]CC3)n2)c1 ZINC000040351921 401925259 /nfs/dbraw/zinc/92/52/59/401925259.db2.gz WTTQQDWBYFDTTR-UHFFFAOYSA-N 1 0 313.386 2.270 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)N(C)c1ccccc1 ZINC000135117876 401927182 /nfs/dbraw/zinc/92/71/82/401927182.db2.gz UUUATMSJTHADOS-QGZVFWFLSA-N 1 0 303.450 2.456 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccc(OC)c(OC)c1OC)[NH+](C)C ZINC000135118629 401927506 /nfs/dbraw/zinc/92/75/06/401927506.db2.gz VDYURCSJFMMOSY-ZDUSSCGKSA-N 1 0 324.421 2.059 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cccc(Cl)c1 ZINC000032072947 401875632 /nfs/dbraw/zinc/87/56/32/401875632.db2.gz HTPQSSWRHVDMAF-NSHDSACASA-N 1 0 304.843 2.349 10 0 DEAERO CCc1ccc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)ncn2)o1 ZINC000133038299 401878223 /nfs/dbraw/zinc/87/82/23/401878223.db2.gz JKQBDXUWSTVBQY-ZDUSSCGKSA-N 1 0 315.421 2.432 10 0 DEAERO C[C@H](CNC(=O)[C@H]1Oc2ccccc2[C@H]1C)C[NH+]1CCCC1 ZINC000117759817 401883696 /nfs/dbraw/zinc/88/36/96/401883696.db2.gz OHXXHPGSHQPTLY-CPUCHLNUSA-N 1 0 302.418 2.399 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cccc(OC)c1OC ZINC000079982316 401885539 /nfs/dbraw/zinc/88/55/39/401885539.db2.gz OWBVECJACFCMQA-ZDUSSCGKSA-N 1 0 323.437 2.233 10 0 DEAERO C[NH+](C)C1CCN(C(=O)Cc2ccccc2OC(F)F)CC1 ZINC000118337057 401895663 /nfs/dbraw/zinc/89/56/63/401895663.db2.gz UEOLWAJZNQWZJI-UHFFFAOYSA-N 1 0 312.360 2.383 10 0 DEAERO C[C@@H]1CCC[C@@H](C)C1NC(=O)NCCCC[NH+]1CCOCC1 ZINC000081477931 401896118 /nfs/dbraw/zinc/89/61/18/401896118.db2.gz HTNFVEVXEVOOPH-HUUCEWRRSA-N 1 0 311.470 2.223 10 0 DEAERO [NH3+]C1(CNS(=O)(=O)c2ccc(F)cc2F)CCCCCC1 ZINC000036266844 401903893 /nfs/dbraw/zinc/90/38/93/401903893.db2.gz VAROXTIYTAAOIM-UHFFFAOYSA-N 1 0 318.389 2.295 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(CCCOc2ccccc2C)CC1 ZINC000118858180 401913255 /nfs/dbraw/zinc/91/32/55/401913255.db2.gz GVIVZOYEALQDDZ-KRWDZBQOSA-N 1 0 306.450 2.152 10 0 DEAERO C[C@@H]1CCC[C@@H](C)[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085822648 401918998 /nfs/dbraw/zinc/91/89/98/401918998.db2.gz ZRSLNUDCGSZGKF-KFWWJZLASA-N 1 0 302.484 2.169 10 0 DEAERO COCCOc1ccc([C@H](C)[NH2+]CCc2nc(C)no2)cc1 ZINC000089518193 401950800 /nfs/dbraw/zinc/95/08/00/401950800.db2.gz JYSRXXIWYZSAJC-LBPRGKRZSA-N 1 0 305.378 2.297 10 0 DEAERO Cc1cc(F)ccc1C[NH2+]CC(C)(C)N1CCS(=O)CC1 ZINC000089587661 401953104 /nfs/dbraw/zinc/95/31/04/401953104.db2.gz DDUABFPHDDQTOL-UHFFFAOYSA-N 1 0 312.454 2.067 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000089633701 401954618 /nfs/dbraw/zinc/95/46/18/401954618.db2.gz PBHMBSQAYUZFEA-QWRGUYRKSA-N 1 0 301.456 2.030 10 0 DEAERO Cn1nccc1CCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000119520846 401955942 /nfs/dbraw/zinc/95/59/42/401955942.db2.gz AVMWTCLTHUNKPW-UHFFFAOYSA-N 1 0 306.454 2.124 10 0 DEAERO CCC[C@H](C(=O)NCc1c(OC)cc(OC)cc1OC)[NH+](C)C ZINC000136686706 401972043 /nfs/dbraw/zinc/97/20/43/401972043.db2.gz AMYVTIXXZGURTC-CQSZACIVSA-N 1 0 324.421 2.059 10 0 DEAERO CCN(CCc1nccs1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000120135975 401979676 /nfs/dbraw/zinc/97/96/76/401979676.db2.gz CSSDRXKNVHYXKH-UONOGXRCSA-N 1 0 324.494 2.446 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCc1nc(C)c(C)s1 ZINC000150836240 401998834 /nfs/dbraw/zinc/99/88/34/401998834.db2.gz POWQEPJTBUULCC-NSHDSACASA-N 1 0 312.483 2.332 10 0 DEAERO O=C(NC1CC[NH+](CC[C@H]2CCOC2=O)CC1)C1CCCCC1 ZINC000120283801 401984749 /nfs/dbraw/zinc/98/47/49/401984749.db2.gz SEULQWBGWVMBSJ-HNNXBMFYSA-N 1 0 322.449 2.101 10 0 DEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000090797169 401987438 /nfs/dbraw/zinc/98/74/38/401987438.db2.gz MHZWIWMNKFUDEC-ZNMIVQPWSA-N 1 0 316.511 2.462 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000150775620 401995148 /nfs/dbraw/zinc/99/51/48/401995148.db2.gz UTBTXCRQQJFTHA-FZMZJTMJSA-N 1 0 323.824 2.123 10 0 DEAERO COc1ccc(C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000120634259 401996587 /nfs/dbraw/zinc/99/65/87/401996587.db2.gz AKXASLICZJIUSN-HOCLYGCPSA-N 1 0 319.449 2.267 10 0 DEAERO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](CCCCCO)C1 ZINC000135452493 401939996 /nfs/dbraw/zinc/93/99/96/401939996.db2.gz SQPIHMMZOWTRHA-IAGOWNOFSA-N 1 0 305.418 2.428 10 0 DEAERO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](CCn2cccn2)C1 ZINC000135457568 401940441 /nfs/dbraw/zinc/94/04/41/401940441.db2.gz ZPXPPFXRUBPYDG-IRXDYDNUSA-N 1 0 313.401 2.162 10 0 DEAERO Nc1c(Br)cc(Br)cc1[C@H]([NH3+])CCO ZINC000044233349 401940511 /nfs/dbraw/zinc/94/05/11/401940511.db2.gz VNCQWTNKHVFWTC-MRVPVSSYSA-N 1 0 324.016 2.176 10 0 DEAERO CNC(=O)CN1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000119341767 401942795 /nfs/dbraw/zinc/94/27/95/401942795.db2.gz UTWHAHFGKXCWCM-USXIJHARSA-N 1 0 309.498 2.247 10 0 DEAERO CC(=O)NCCCCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073476 402011908 /nfs/dbraw/zinc/01/19/08/402011908.db2.gz HFEJVUWJTLEGHK-UHFFFAOYSA-N 1 0 323.481 2.017 10 0 DEAERO COc1c(C[N@H+](C)CCc2ccccc2OC)c(C)nn1C ZINC000093105229 402012343 /nfs/dbraw/zinc/01/23/43/402012343.db2.gz QDLKGGAGBXTGFS-UHFFFAOYSA-N 1 0 303.406 2.420 10 0 DEAERO COC(=O)[C@H](C)C[N@H+](CCn1cccn1)Cc1ccccc1 ZINC000121107824 402016071 /nfs/dbraw/zinc/01/60/71/402016071.db2.gz BXIFJGWDPADKOB-OAHLLOKOSA-N 1 0 301.390 2.194 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]CC(=O)c2ccccn2)C1 ZINC000095083952 402024587 /nfs/dbraw/zinc/02/45/87/402024587.db2.gz PCYYDNBHNMUGEZ-CYBMUJFWSA-N 1 0 319.405 2.111 10 0 DEAERO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCOCC1 ZINC000151260860 402026410 /nfs/dbraw/zinc/02/64/10/402026410.db2.gz OWUMXKMEFMJUFF-NVXWUHKLSA-N 1 0 323.481 2.461 10 0 DEAERO Cc1cc(CC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)n[nH]1 ZINC000121450230 402036736 /nfs/dbraw/zinc/03/67/36/402036736.db2.gz BIMAJRWXRVWUJM-ZDUSSCGKSA-N 1 0 309.373 2.324 10 0 DEAERO COCCC1(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCC1 ZINC000151548053 402042783 /nfs/dbraw/zinc/04/27/83/402042783.db2.gz MDTPKOQIIBGDAF-KRWDZBQOSA-N 1 0 318.461 2.482 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2ccc(OC)cc2)C1 ZINC000052497353 402042978 /nfs/dbraw/zinc/04/29/78/402042978.db2.gz HAOKBVVFIUQIBB-OAHLLOKOSA-N 1 0 305.422 2.021 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCOc2ccccc2C)C1 ZINC000052561836 402043531 /nfs/dbraw/zinc/04/35/31/402043531.db2.gz FZNVALUEBHREDR-HNNXBMFYSA-N 1 0 305.422 2.157 10 0 DEAERO COc1cccc(C[C@@H]([NH2+]C[C@@]2(CCO)CCOC2)C2CC2)c1 ZINC000121557586 402044140 /nfs/dbraw/zinc/04/41/40/402044140.db2.gz RNXRKPAQOXEXCX-RTBURBONSA-N 1 0 319.445 2.395 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Cc2coc3cc(OC)ccc23)C1 ZINC000121567275 402044794 /nfs/dbraw/zinc/04/47/94/402044794.db2.gz NDUICIPLUYPRQW-CYBMUJFWSA-N 1 0 316.401 2.442 10 0 DEAERO C[C@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C1CCOCC1 ZINC000121586120 402045346 /nfs/dbraw/zinc/04/53/46/402045346.db2.gz MCTQQRDTMOEXNW-MAUKXSAKSA-N 1 0 318.461 2.338 10 0 DEAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(NC(C)=O)cc3)[C@H]2C1 ZINC000092096082 402001734 /nfs/dbraw/zinc/00/17/34/402001734.db2.gz SIQFFCMWUACFPW-FGTMMUONSA-N 1 0 318.417 2.413 10 0 DEAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000120772873 402001818 /nfs/dbraw/zinc/00/18/18/402001818.db2.gz ZTPPHWVIMXCWBH-BDJLRTHQSA-N 1 0 301.438 2.369 10 0 DEAERO Cc1cc(C[C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000150877181 402002803 /nfs/dbraw/zinc/00/28/03/402002803.db2.gz LMZHNTAJVGMYAQ-DGCLKSJQSA-N 1 0 308.426 2.248 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCC2(c3cccc(F)c3)CC2)C1 ZINC000120911427 402006699 /nfs/dbraw/zinc/00/66/99/402006699.db2.gz MGWIDMGRKBMPAA-HNNXBMFYSA-N 1 0 305.397 2.203 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(C2CC2)C2CC2)CC1 ZINC000122325734 402072549 /nfs/dbraw/zinc/07/25/49/402072549.db2.gz AUJOTSFMPZZMOX-QGZVFWFLSA-N 1 0 319.493 2.051 10 0 DEAERO CC(C)OC(=O)CC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152426903 402095330 /nfs/dbraw/zinc/09/53/30/402095330.db2.gz OFMNSDHIDUOZJF-ZDUSSCGKSA-N 1 0 306.410 2.134 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)N(C)c2ccccc2)C1 ZINC000057821718 402097063 /nfs/dbraw/zinc/09/70/63/402097063.db2.gz IDERMVVXMQGHCL-HZPDHXFCSA-N 1 0 318.465 2.295 10 0 DEAERO CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152473169 402097574 /nfs/dbraw/zinc/09/75/74/402097574.db2.gz ZJEPBONYODFMSX-QGZVFWFLSA-N 1 0 311.385 2.095 10 0 DEAERO COCC[NH2+]CCNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000152502203 402098567 /nfs/dbraw/zinc/09/85/67/402098567.db2.gz IFSXDEURJWRKFB-UHFFFAOYSA-N 1 0 306.337 2.052 10 0 DEAERO COc1ccc(CCCC(=O)N2CC[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000152571196 402100758 /nfs/dbraw/zinc/10/07/58/402100758.db2.gz PRCUHHZJBNFFEP-OAHLLOKOSA-N 1 0 320.433 2.189 10 0 DEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000097093732 402106669 /nfs/dbraw/zinc/10/66/69/402106669.db2.gz CADQLBAWBKTYGF-IUCAKERBSA-N 1 0 303.284 2.089 10 0 DEAERO Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)nn1C ZINC000123034528 402107333 /nfs/dbraw/zinc/10/73/33/402107333.db2.gz GZVXMAMYNDVANW-KGLIPLIRSA-N 1 0 305.426 2.208 10 0 DEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C)CC2)C12CCCC2 ZINC000152899316 402115872 /nfs/dbraw/zinc/11/58/72/402115872.db2.gz OMIKTXLUOZEKET-HZPDHXFCSA-N 1 0 323.481 2.460 10 0 DEAERO CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(OCC(C)C)CC1 ZINC000054327353 402066336 /nfs/dbraw/zinc/06/63/36/402066336.db2.gz OGKRQJRUCXPCEZ-OAHLLOKOSA-N 1 0 314.470 2.055 10 0 DEAERO C[NH+](C)Cc1cccc(NC(=O)Cn2c3ccccc3[nH]c2=O)c1 ZINC000123387715 402124792 /nfs/dbraw/zinc/12/47/92/402124792.db2.gz XYZQSMCUPABNRV-UHFFFAOYSA-N 1 0 324.384 2.030 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000123533051 402132920 /nfs/dbraw/zinc/13/29/20/402132920.db2.gz DMHWYYSLEWMBLZ-LLVKDONJSA-N 1 0 318.343 2.202 10 0 DEAERO C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000066652125 402139136 /nfs/dbraw/zinc/13/91/36/402139136.db2.gz HDVVQVMAEJDSMR-LBPRGKRZSA-N 1 0 318.808 2.207 10 0 DEAERO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](O)C(C)C)c1 ZINC000153401632 402143035 /nfs/dbraw/zinc/14/30/35/402143035.db2.gz XNXXSDBFJNINIJ-KRWDZBQOSA-N 1 0 321.465 2.345 10 0 DEAERO O=C1NCCCC[C@H]1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000153482963 402148179 /nfs/dbraw/zinc/14/81/79/402148179.db2.gz YVYUKYYQUIOUEB-IAGOWNOFSA-N 1 0 307.482 2.243 10 0 DEAERO C[C@@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)[NH+]1[C@H](C)CC[C@H]1C ZINC000101649266 402152523 /nfs/dbraw/zinc/15/25/23/402152523.db2.gz PBDVYQLFCHTPTP-UTUOFQBUSA-N 1 0 317.389 2.217 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)COC)Cc1ccccc1 ZINC000103430126 402187394 /nfs/dbraw/zinc/18/73/94/402187394.db2.gz XVSORDFBNCXFIW-WBVHZDCISA-N 1 0 306.450 2.338 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)cc2[nH]cnc21 ZINC000068224331 402187985 /nfs/dbraw/zinc/18/79/85/402187985.db2.gz WWKICZJRZQNOEJ-LBPRGKRZSA-N 1 0 306.385 2.408 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000101953745 402159237 /nfs/dbraw/zinc/15/92/37/402159237.db2.gz RNJVRVOZVOFCCD-BBRMVZONSA-N 1 0 317.433 2.351 10 0 DEAERO Cc1ccc(OCCN(C)C(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000102063709 402162617 /nfs/dbraw/zinc/16/26/17/402162617.db2.gz RDZWGFQIHAQIFA-UHFFFAOYSA-N 1 0 307.438 2.355 10 0 DEAERO O=C(c1cccs1)N1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000153705770 402164181 /nfs/dbraw/zinc/16/41/81/402164181.db2.gz JFNQGHVUGFXMCZ-UHFFFAOYSA-N 1 0 321.490 2.382 10 0 DEAERO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)n1 ZINC000067642095 402166064 /nfs/dbraw/zinc/16/60/64/402166064.db2.gz CVHLTQQHZVUIKK-AWEZNQCLSA-N 1 0 310.405 2.259 10 0 DEAERO C[NH+](C)CCNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000102486739 402167489 /nfs/dbraw/zinc/16/74/89/402167489.db2.gz KZTCUOSKKJAVAM-UHFFFAOYSA-N 1 0 313.239 2.405 10 0 DEAERO C[C@@H]([NH2+]CCc1cccc(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000124190626 402168335 /nfs/dbraw/zinc/16/83/35/402168335.db2.gz FVXBMIVGRCUHAZ-GFCCVEGCSA-N 1 0 322.405 2.366 10 0 DEAERO Cc1nc(C)n(C[C@@H]2CCCN(CC[NH+]3CCC(C)CC3)C2)n1 ZINC000153828064 402173142 /nfs/dbraw/zinc/17/31/42/402173142.db2.gz SUSCGCSEZZGAMC-GOSISDBHSA-N 1 0 319.497 2.339 10 0 DEAERO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102950532 402175476 /nfs/dbraw/zinc/17/54/76/402175476.db2.gz CNXOUWBGIBHGJF-LSDHHAIUSA-N 1 0 307.390 2.338 10 0 DEAERO O=C(CN1CCC([NH+]2CCCC2)CC1)NCc1ccc(F)cc1 ZINC000108865001 402263355 /nfs/dbraw/zinc/26/33/55/402263355.db2.gz GFCMVGYTFIXFLM-UHFFFAOYSA-N 1 0 319.424 2.002 10 0 DEAERO Cc1nccn1CCC[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000125161609 402216819 /nfs/dbraw/zinc/21/68/19/402216819.db2.gz VOVQNGTTWIAUEQ-KRWDZBQOSA-N 1 0 312.417 2.319 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCOC(C)(C)C2)CC1 ZINC000125278991 402223638 /nfs/dbraw/zinc/22/36/38/402223638.db2.gz AGUDIDHRYWAKSL-HNNXBMFYSA-N 1 0 311.470 2.365 10 0 DEAERO CCc1noc(CC)c1CC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000154661689 402224655 /nfs/dbraw/zinc/22/46/55/402224655.db2.gz VBCQJVHCCZDRRA-CYBMUJFWSA-N 1 0 307.438 2.285 10 0 DEAERO COc1ccccc1C[C@@H](C)CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000107349453 402230766 /nfs/dbraw/zinc/23/07/66/402230766.db2.gz SJSGTSYGHBGUOC-ZBFHGGJFSA-N 1 0 304.434 2.474 10 0 DEAERO CN(C[C@H]1CCCOC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000107778362 402240928 /nfs/dbraw/zinc/24/09/28/402240928.db2.gz ITXLYXYSKNKWOA-IAGOWNOFSA-N 1 0 304.434 2.044 10 0 DEAERO CCc1nc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)cs1 ZINC000107835492 402241132 /nfs/dbraw/zinc/24/11/32/402241132.db2.gz OQJFBWZHFBRLLL-GFCCVEGCSA-N 1 0 312.483 2.481 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000108462245 402254367 /nfs/dbraw/zinc/25/43/67/402254367.db2.gz GQXIPHDMXYFWAA-GFCCVEGCSA-N 1 0 316.380 2.287 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c(C)s1 ZINC000070170242 402257850 /nfs/dbraw/zinc/25/78/50/402257850.db2.gz IHLFZFRNPBMGSG-GFCCVEGCSA-N 1 0 302.465 2.114 10 0 DEAERO [NH3+][C@H]1CCN(c2ccc(-c3nc(-c4cccs4)no3)cn2)C1 ZINC000070457876 402260949 /nfs/dbraw/zinc/26/09/49/402260949.db2.gz FKPTXPBQCNKRSM-NSHDSACASA-N 1 0 313.386 2.398 10 0 DEAERO COc1ccc(-c2cc3c(N4CCC[C@H]([NH3+])C4)nccn3n2)cc1 ZINC000070459276 402261426 /nfs/dbraw/zinc/26/14/26/402261426.db2.gz HHVFYTORKAPXPV-AWEZNQCLSA-N 1 0 323.400 2.332 10 0 DEAERO CCCCCNC(=O)C[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000105922797 402211603 /nfs/dbraw/zinc/21/16/03/402211603.db2.gz LKHOKCZIGWNZSO-HNNXBMFYSA-N 1 0 306.454 2.389 10 0 DEAERO Cn1c(CN2CCC[C@H]2C[NH+]2CCCCC2)nnc1C1CC1 ZINC000069031763 402211781 /nfs/dbraw/zinc/21/17/81/402211781.db2.gz SHHGGRRJEWUASN-HNNXBMFYSA-N 1 0 303.454 2.143 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cnn(C)c1 ZINC000126207719 402269759 /nfs/dbraw/zinc/26/97/59/402269759.db2.gz RSDLQTYKSGQBSR-VKJFTORMSA-N 1 0 313.449 2.376 10 0 DEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(Br)o1 ZINC000071190456 402271312 /nfs/dbraw/zinc/27/13/12/402271312.db2.gz JUVRFTMZNWZTEH-SECBINFHSA-N 1 0 301.184 2.066 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)ccc1C ZINC000110085319 402280879 /nfs/dbraw/zinc/28/08/79/402280879.db2.gz IZRDHNVVFQLOSJ-AWEZNQCLSA-N 1 0 309.385 2.366 10 0 DEAERO C[NH+]1CCC(CCNC(=O)CCc2nc(C(C)(C)C)no2)CC1 ZINC000156410171 402282131 /nfs/dbraw/zinc/28/21/31/402282131.db2.gz PUCSTZAMPFWQDS-UHFFFAOYSA-N 1 0 322.453 2.148 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000184614935 402284712 /nfs/dbraw/zinc/28/47/12/402284712.db2.gz PUKULGWLRBRLQA-CQSZACIVSA-N 1 0 321.465 2.444 10 0 DEAERO CCOc1cccnc1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000176192759 402288974 /nfs/dbraw/zinc/28/89/74/402288974.db2.gz GGYJCFTWMLEAPF-AWEZNQCLSA-N 1 0 305.422 2.331 10 0 DEAERO C[N@H+](C[C@H]1CCC(C)(C)O1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000184669020 402290418 /nfs/dbraw/zinc/29/04/18/402290418.db2.gz JKGZCAOHTXCDDX-HUUCEWRRSA-N 1 0 304.438 2.335 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000176294937 402297165 /nfs/dbraw/zinc/29/71/65/402297165.db2.gz BZDXGXNXLUHDMF-RHSMWYFYSA-N 1 0 319.449 2.366 10 0 DEAERO CN(C(=O)c1ccc2c(c1O)CCCC2)C1CC[NH+](C)CC1 ZINC000184781126 402299265 /nfs/dbraw/zinc/29/92/65/402299265.db2.gz LKPGJQKKBCUNLE-UHFFFAOYSA-N 1 0 302.418 2.437 10 0 DEAERO CCCn1c(C)cc(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000176332283 402300320 /nfs/dbraw/zinc/30/03/20/402300320.db2.gz GBHZRJXBKDFBOE-MRXNPFEDSA-N 1 0 303.450 2.478 10 0 DEAERO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000184824663 402301653 /nfs/dbraw/zinc/30/16/53/402301653.db2.gz LBYLWUBRBAEKFU-JKSUJKDBSA-N 1 0 316.380 2.145 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1nc2c(s1)COCC2 ZINC000176357847 402302441 /nfs/dbraw/zinc/30/24/41/402302441.db2.gz MLJSLLIPMDIIOH-LLVKDONJSA-N 1 0 324.450 2.164 10 0 DEAERO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@](C)(CCO)COC ZINC000176373680 402304158 /nfs/dbraw/zinc/30/41/58/402304158.db2.gz VIZXJFMJCKICLC-KRWDZBQOSA-N 1 0 309.406 2.165 10 0 DEAERO Cc1ccc(OCCNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000176400799 402305961 /nfs/dbraw/zinc/30/59/61/402305961.db2.gz IDMOMBVTZMYBLJ-RDJZCZTQSA-N 1 0 319.449 2.402 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(Cl)cn2)C1 ZINC000222206024 402306055 /nfs/dbraw/zinc/30/60/55/402306055.db2.gz ORURRGCYUBTQKT-WFASDCNBSA-N 1 0 322.840 2.361 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000176407906 402307039 /nfs/dbraw/zinc/30/70/39/402307039.db2.gz JLPUZLGRFWISBE-VXGBXAGGSA-N 1 0 311.451 2.325 10 0 DEAERO CCc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1F ZINC000158759511 402311133 /nfs/dbraw/zinc/31/11/33/402311133.db2.gz DTLQVPHHKYJKRT-HNNXBMFYSA-N 1 0 323.412 2.356 10 0 DEAERO CCO[C@H](CCNC(=O)N1CC[C@H]([NH+](C)C)C1)C1CCCC1 ZINC000176504707 402315778 /nfs/dbraw/zinc/31/57/78/402315778.db2.gz ORCFXENCBDKSLS-JKSUJKDBSA-N 1 0 311.470 2.317 10 0 DEAERO CCO[C@@H](CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000176512766 402316186 /nfs/dbraw/zinc/31/61/86/402316186.db2.gz XPUHWEUUVQUSSR-SJORKVTESA-N 1 0 323.481 2.461 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000176563503 402320171 /nfs/dbraw/zinc/32/01/71/402320171.db2.gz NTUPJFJIRBSFCL-RYUDHWBXSA-N 1 0 311.451 2.231 10 0 DEAERO Cc1cscc1C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000176567611 402320294 /nfs/dbraw/zinc/32/02/94/402320294.db2.gz DYIMDBGGYKZCPV-ZDUSSCGKSA-N 1 0 308.447 2.382 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CC=C(COC)CC2)CC1 ZINC000185315685 402342548 /nfs/dbraw/zinc/34/25/48/402342548.db2.gz WYZJMICOOSSBLU-UHFFFAOYSA-N 1 0 309.454 2.097 10 0 DEAERO Cc1cccc2c(NCCOCCS(C)(=O)=O)c(C)c[nH+]c12 ZINC000185321800 402343311 /nfs/dbraw/zinc/34/33/11/402343311.db2.gz YHEVTPJNVNCAKH-UHFFFAOYSA-N 1 0 322.430 2.325 10 0 DEAERO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)c1ccc(OC)cc1 ZINC000176861627 402343680 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CCCC[C@H](C[NH3+])Nc1ncc(Br)c(OC)n1 ZINC000232995781 402358377 /nfs/dbraw/zinc/35/83/77/402358377.db2.gz AWCOMJQBJSBANW-MRVPVSSYSA-N 1 0 303.204 2.177 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(Br)n1 ZINC000234262720 402359817 /nfs/dbraw/zinc/35/98/17/402359817.db2.gz VVSPSYVVABBNEH-SNVBAGLBSA-N 1 0 312.211 2.010 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(-c2cccnc2)on1 ZINC000177026255 402361127 /nfs/dbraw/zinc/36/11/27/402361127.db2.gz MYZJGUCESUYOGN-CQSZACIVSA-N 1 0 314.389 2.293 10 0 DEAERO CCOc1ncccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000177027913 402361150 /nfs/dbraw/zinc/36/11/50/402361150.db2.gz CZVVZFMYPDXAKF-GXTWGEPZSA-N 1 0 306.410 2.331 10 0 DEAERO C[C@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)c1cccnc1 ZINC000177083716 402368143 /nfs/dbraw/zinc/36/81/43/402368143.db2.gz NFFQLCYQGOIFOW-HNNXBMFYSA-N 1 0 319.449 2.144 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)NCc1c(OC)cc(OC)cc1OC ZINC000236681487 402374016 /nfs/dbraw/zinc/37/40/16/402374016.db2.gz MDXDLFJPRVOIAE-UHFFFAOYSA-N 1 0 324.421 2.094 10 0 DEAERO c1cnn(CC2CC[NH+](Cc3ccc(-n4ccnc4)nc3)CC2)c1 ZINC000177139256 402374283 /nfs/dbraw/zinc/37/42/83/402374283.db2.gz MEPLSRGKCDWASH-UHFFFAOYSA-N 1 0 322.416 2.376 10 0 DEAERO C[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000177239136 402384585 /nfs/dbraw/zinc/38/45/85/402384585.db2.gz KDKBMYDSMDNTIB-QAPCUYQASA-N 1 0 322.424 2.247 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000161654862 402394806 /nfs/dbraw/zinc/39/48/06/402394806.db2.gz ZVLOKXPUEAMKIK-QGZVFWFLSA-N 1 0 304.434 2.272 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)c2cccc(C)c2Cl)CC1 ZINC000237104285 402395311 /nfs/dbraw/zinc/39/53/11/402395311.db2.gz FLOLKLMTPZZJCS-UHFFFAOYSA-N 1 0 302.827 2.021 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161789691 402399190 /nfs/dbraw/zinc/39/91/90/402399190.db2.gz PLDHSNUEVDYKDG-RBSFLKMASA-N 1 0 309.454 2.212 10 0 DEAERO COC(=O)c1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000161846268 402401316 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CCO[C@@H]1C[C@H]([NH2+]Cc2cccc3c2OCO3)C12CCOCC2 ZINC000186265478 402416238 /nfs/dbraw/zinc/41/62/38/402416238.db2.gz AZCDTJFPOBMSOD-JKSUJKDBSA-N 1 0 319.401 2.479 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCC(C)(C)CC2)C[C@@H]1C ZINC000186289978 402418383 /nfs/dbraw/zinc/41/83/83/402418383.db2.gz YLUZOFSZVSRMKW-UONOGXRCSA-N 1 0 311.470 2.052 10 0 DEAERO CC(=O)Nc1nc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cs1 ZINC000186299236 402418734 /nfs/dbraw/zinc/41/87/34/402418734.db2.gz WWQCSHCBVLDSGI-LLVKDONJSA-N 1 0 324.450 2.096 10 0 DEAERO C[C@]1(CNC(=O)C2=COCCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000162425561 402419348 /nfs/dbraw/zinc/41/93/48/402419348.db2.gz OHSUKZQWPAFWOU-GOSISDBHSA-N 1 0 316.401 2.046 10 0 DEAERO C[C@@]1(CNC(=O)C2=COCCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000162425665 402419379 /nfs/dbraw/zinc/41/93/79/402419379.db2.gz OHSUKZQWPAFWOU-SFHVURJKSA-N 1 0 316.401 2.046 10 0 DEAERO COCCC1(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000177618089 402420825 /nfs/dbraw/zinc/42/08/25/402420825.db2.gz MRHLJFNHCMJAOA-OAHLLOKOSA-N 1 0 309.454 2.073 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2c(C)noc2C)C12CCOCC2 ZINC000186329120 402421801 /nfs/dbraw/zinc/42/18/01/402421801.db2.gz CWLPUXHTARTUMC-HZPDHXFCSA-N 1 0 308.422 2.398 10 0 DEAERO Cc1ccccc1-c1nc(CSc2nc(N)cc(N)[nH+]2)no1 ZINC000177666921 402425102 /nfs/dbraw/zinc/42/51/02/402425102.db2.gz VLXJMGFVEVYNBO-UHFFFAOYSA-N 1 0 314.374 2.292 10 0 DEAERO O=C(CNc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000237956599 402427947 /nfs/dbraw/zinc/42/79/47/402427947.db2.gz VAAJMQDCTKXBLN-UHFFFAOYSA-N 1 0 301.434 2.433 10 0 DEAERO [NH3+][C@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C1CC1 ZINC000237965764 402428874 /nfs/dbraw/zinc/42/88/74/402428874.db2.gz SQZPMBOLYKAORD-QGZVFWFLSA-N 1 0 314.429 2.382 10 0 DEAERO Cc1cnn([C@H]2CCC[N@@H+]([C@@H]3CCCN(C(C)C)C3=O)C2)c1 ZINC000177713379 402429369 /nfs/dbraw/zinc/42/93/69/402429369.db2.gz KAQPQSAKTCVGQL-JKSUJKDBSA-N 1 0 304.438 2.228 10 0 DEAERO Cc1nn(C)c(C)c1CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000177744449 402431986 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Cc1cc(C)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)[nH]1 ZINC000177815409 402438926 /nfs/dbraw/zinc/43/89/26/402438926.db2.gz LTHGEDFNBPKUIO-UHFFFAOYSA-N 1 0 313.405 2.031 10 0 DEAERO Cc1ccc(-c2cc(C(=O)N(C[C@H]3CCC[NH2+]3)C3CC3)[nH]n2)o1 ZINC000186533048 402439909 /nfs/dbraw/zinc/43/99/09/402439909.db2.gz OQMTXGSNRCEMLT-GFCCVEGCSA-N 1 0 314.389 2.335 10 0 DEAERO CC(C)c1nccn1CCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186539759 402440438 /nfs/dbraw/zinc/44/04/38/402440438.db2.gz GMHYCRAQCQKSKG-CQSZACIVSA-N 1 0 304.438 2.140 10 0 DEAERO C[C@@H](NC(=O)CCCCCC[NH3+])c1cn(-c2ccccc2)nn1 ZINC000163149725 402442579 /nfs/dbraw/zinc/44/25/79/402442579.db2.gz FZYVBBBQNCXIKV-CQSZACIVSA-N 1 0 315.421 2.354 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1cc(F)ccc1OC ZINC000186588814 402444863 /nfs/dbraw/zinc/44/48/63/402444863.db2.gz IIXCHZSOECFREQ-HNNXBMFYSA-N 1 0 308.397 2.320 10 0 DEAERO C[C@H](C[N@@H+](Cc1cccc(O)c1)CC1CC1)CS(C)(=O)=O ZINC000163295234 402446441 /nfs/dbraw/zinc/44/64/41/402446441.db2.gz BBBYMRRTAZJSLS-CYBMUJFWSA-N 1 0 311.447 2.285 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)NC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000186622935 402448409 /nfs/dbraw/zinc/44/84/09/402448409.db2.gz PIJDWWNAYFFZTR-GUYCJALGSA-N 1 0 301.434 2.182 10 0 DEAERO CO[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000237072310 402393439 /nfs/dbraw/zinc/39/34/39/402393439.db2.gz UQTURJLGWQWHSH-GJZGRUSLSA-N 1 0 306.381 2.019 10 0 DEAERO O=C(c1cc(-c2ccc(F)cc2)on1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178061258 402456481 /nfs/dbraw/zinc/45/64/81/402456481.db2.gz RQOTWBJFEXHLTE-CQSZACIVSA-N 1 0 315.348 2.401 10 0 DEAERO COc1cc(C)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000186736547 402461428 /nfs/dbraw/zinc/46/14/28/402461428.db2.gz PZPNXQVJJVCAHR-GFCCVEGCSA-N 1 0 307.369 2.455 10 0 DEAERO COc1ccc2nc(C(=O)N(C)CC[N@H+](C)C3CC3)ccc2c1 ZINC000186743133 402461481 /nfs/dbraw/zinc/46/14/81/402461481.db2.gz IMMWTTTYDAZFPU-UHFFFAOYSA-N 1 0 313.401 2.410 10 0 DEAERO CC(C)Nc1ncccc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C 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O=C(NCCc1cc(F)ccc1F)C1CC[NH+](C2CC2)CC1 ZINC000192673039 402744063 /nfs/dbraw/zinc/74/40/63/402744063.db2.gz ZQRBNGFTPXYPJU-UHFFFAOYSA-N 1 0 308.372 2.498 10 0 DEAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1OC ZINC000183181731 402745241 /nfs/dbraw/zinc/74/52/41/402745241.db2.gz UZPQTHWIZAGDSE-SGMGOOAPSA-N 1 0 322.405 2.188 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1cc(N)ccc1F ZINC000174532954 402745757 /nfs/dbraw/zinc/74/57/57/402745757.db2.gz WNFCAQBDFUEYCE-CQSZACIVSA-N 1 0 322.428 2.153 10 0 DEAERO CC[C@@H]1CN(C(=O)CCc2ccc(C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174642006 402750110 /nfs/dbraw/zinc/75/01/10/402750110.db2.gz XXSMLEBBXQENTH-SJLPKXTDSA-N 1 0 318.461 2.231 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@H]2c2cc(F)ccc2F)n1 ZINC000263276739 402753074 /nfs/dbraw/zinc/75/30/74/402753074.db2.gz SWMUZWFIFOSBFZ-VHRBIJSZSA-N 1 0 320.343 2.195 10 0 DEAERO CC(C)Nc1ncccc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000174849009 402760299 /nfs/dbraw/zinc/76/02/99/402760299.db2.gz 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2.243 10 0 DEAERO CC(C)N(C(=O)C[N@@H+]1CCCN(c2ccccn2)CC1)C(C)C ZINC000183777526 402797188 /nfs/dbraw/zinc/79/71/88/402797188.db2.gz ZDKYFVSPQMTUAI-UHFFFAOYSA-N 1 0 318.465 2.239 10 0 DEAERO CCC[N@H+](CC)CCNS(=O)(=O)c1cccc2ncccc21 ZINC000175361442 402800139 /nfs/dbraw/zinc/80/01/39/402800139.db2.gz JOHGTGAORFLSRR-UHFFFAOYSA-N 1 0 321.446 2.245 10 0 DEAERO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)ccc1OC(C)C ZINC000194737906 402813631 /nfs/dbraw/zinc/81/36/31/402813631.db2.gz YSBPCMAOIOEFRF-AWEZNQCLSA-N 1 0 306.406 2.306 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)Cc2cscn2)CC1 ZINC000194944330 402823938 /nfs/dbraw/zinc/82/39/38/402823938.db2.gz NJJBTPUEEJSWFJ-UHFFFAOYSA-N 1 0 310.467 2.407 10 0 DEAERO Cn1c2ccc(CN3CCC[N@@H+](C4CC4)CC3)cc2sc1=O ZINC000194997116 402825738 /nfs/dbraw/zinc/82/57/38/402825738.db2.gz ZVRZUCLFZLATAR-UHFFFAOYSA-N 1 0 317.458 2.270 10 0 DEAERO Cc1nccn1C[C@@H]1CCCN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000184242961 402830104 /nfs/dbraw/zinc/83/01/04/402830104.db2.gz IVUZDKMKGAQBBU-INIZCTEOSA-N 1 0 318.465 2.482 10 0 DEAERO Cc1ccc(C)c(OCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000195076660 402830350 /nfs/dbraw/zinc/83/03/50/402830350.db2.gz BMOSJAIEAALXIC-MRXNPFEDSA-N 1 0 302.418 2.379 10 0 DEAERO C[C@@H](N(C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1(C)CC1 ZINC000175802671 402833983 /nfs/dbraw/zinc/83/39/83/402833983.db2.gz CHIKFJNLOMGEAO-CQSZACIVSA-N 1 0 316.449 2.094 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184319610 402835339 /nfs/dbraw/zinc/83/53/39/402835339.db2.gz MQDDMIXDIPFLTN-LOWVWBTDSA-N 1 0 314.838 2.006 10 0 DEAERO COC(=O)c1ccc(NC[C@H](c2ccco2)[NH+](C)C)nc1OC ZINC000184327278 402836271 /nfs/dbraw/zinc/83/62/71/402836271.db2.gz RAIYBMORGUCUJY-GFCCVEGCSA-N 1 0 319.361 2.185 10 0 DEAERO Cc1ccccc1CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195223959 402837559 /nfs/dbraw/zinc/83/75/59/402837559.db2.gz JNGUWIYARQURSE-KRWDZBQOSA-N 1 0 301.434 2.417 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Br)cs1 ZINC000194091899 402784102 /nfs/dbraw/zinc/78/41/02/402784102.db2.gz LPPYRBFTWYWLNW-KOLCDFICSA-N 1 0 319.268 2.492 10 0 DEAERO CCC[NH+]1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000175968684 402845534 /nfs/dbraw/zinc/84/55/34/402845534.db2.gz WRMVIQUQJQALEQ-UHFFFAOYSA-N 1 0 315.377 2.296 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504866 402848091 /nfs/dbraw/zinc/84/80/91/402848091.db2.gz ZEFGIRQDNGJZHV-UONOGXRCSA-N 1 0 306.454 2.293 10 0 DEAERO CC[C@H]1CN(c2ncnc3ccc(C)cc32)CC[N@@H+]1C[C@@H](C)O ZINC000266369180 402968973 /nfs/dbraw/zinc/96/89/73/402968973.db2.gz LJRBNSKVMYYSOJ-CABCVRRESA-N 1 0 314.433 2.220 10 0 DEAERO OCCCC1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000273040560 402965337 /nfs/dbraw/zinc/96/53/37/402965337.db2.gz WOIBSXGBBVZIJW-SFHVURJKSA-N 1 0 307.434 2.049 10 0 DEAERO Brc1cnn(CCCC[NH2+]Cc2cncnc2)c1 ZINC000280715032 403029808 /nfs/dbraw/zinc/02/98/08/403029808.db2.gz XMQXKIUNIDYQIG-UHFFFAOYSA-N 1 0 310.199 2.006 10 0 DEAERO CN(C[C@@H](O)C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274148697 403031390 /nfs/dbraw/zinc/03/13/90/403031390.db2.gz KQCPEFOEZJPFFH-UONOGXRCSA-N 1 0 302.340 2.116 10 0 DEAERO C[N@H+](CCC1OCCCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268617781 403099262 /nfs/dbraw/zinc/09/92/62/403099262.db2.gz ZMTJBOFYTDWOMT-QGZVFWFLSA-N 1 0 304.434 2.346 10 0 DEAERO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(Cc2csnn2)CC1 ZINC000275862206 403129020 /nfs/dbraw/zinc/12/90/20/403129020.db2.gz XOWQMXMEULCBRZ-MRXNPFEDSA-N 1 0 317.462 2.420 10 0 DEAERO [NH3+]CC[C@H]1CCCCN1C(=O)c1coc(Br)c1 ZINC000286110358 403452029 /nfs/dbraw/zinc/45/20/29/403452029.db2.gz OAHJZOOHEJKHFQ-SNVBAGLBSA-N 1 0 301.184 2.386 10 0 DEAERO CC[C@@H]1CN(c2ccnc3cc(F)cnc32)C[C@@H](C)S1(=O)=O ZINC000286336282 403502603 /nfs/dbraw/zinc/50/26/03/403502603.db2.gz IBYUKWDMPCLYPD-ZYHUDNBSSA-N 1 0 323.393 2.171 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)C[C@@H]2CCCC[C@@H]2O)ccc1F ZINC000343443216 403592496 /nfs/dbraw/zinc/59/24/96/403592496.db2.gz HKOMOPRQFYDEGL-YOEHRIQHSA-N 1 0 322.424 2.445 10 0 DEAERO C[NH+](C)[C@@H]1CC[N@@H+](C2Cc3ccccc3C2)C[C@@H]1CCC(=O)[O-] ZINC000299780475 403573341 /nfs/dbraw/zinc/57/33/41/403573341.db2.gz BFWOIETXGTVPCY-FUHWJXTLSA-N 1 0 316.445 2.271 10 0 DEAERO CSC[C@@H](CCO)Nc1cc(N2CCC[C@H](C)C2)ncn1 ZINC000301366652 403620708 /nfs/dbraw/zinc/62/07/08/403620708.db2.gz RAYHBUOPHPDHGF-QWHCGFSZSA-N 1 0 310.467 2.239 10 0 DEAERO Cn1cc([C@H](CNc2c(F)c(F)nc(F)c2F)[NH+](C)C)cn1 ZINC000301613467 403654464 /nfs/dbraw/zinc/65/44/64/403654464.db2.gz TWOIKWHWHJOXCX-QMMMGPOBSA-N 1 0 317.290 2.086 10 0 DEAERO C[N@@H+]1CCO[C@@H]2CN(c3cc4ccccc4c(Cl)n3)C[C@H]21 ZINC000301659886 403660392 /nfs/dbraw/zinc/66/03/92/403660392.db2.gz MFTZQEIHKKNVRO-ZIAGYGMSSA-N 1 0 303.793 2.407 10 0 DEAERO COc1ccncc1CNC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000294241873 403681104 /nfs/dbraw/zinc/68/11/04/403681104.db2.gz NIXYEVYUICOMBS-GXTWGEPZSA-N 1 0 311.332 2.277 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000333159148 403681321 /nfs/dbraw/zinc/68/13/21/403681321.db2.gz GFSOMOFBYSPIOB-RBSFLKMASA-N 1 0 309.454 2.166 10 0 DEAERO Cc1cn2cc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)ccc2n1 ZINC000333168441 403684271 /nfs/dbraw/zinc/68/42/71/403684271.db2.gz PHDVLZRKBOKQAE-AEGPPILISA-N 1 0 313.405 2.234 10 0 DEAERO O=C(NCc1cccc2c1CCCN2)N1CCC2(CC[NH2+]2)CC1 ZINC000333223181 403699626 /nfs/dbraw/zinc/69/96/26/403699626.db2.gz ALIJKRWXMBIGGD-UHFFFAOYSA-N 1 0 314.433 2.082 10 0 DEAERO CO[C@@H]([C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000333229782 403701474 /nfs/dbraw/zinc/70/14/74/403701474.db2.gz NWEFRIKACFALMA-JERHXWKDSA-N 1 0 309.454 2.114 10 0 DEAERO c1ccc(-c2nc3c(c(N4CCC5(CC[NH2+]5)CC4)n2)CCC3)nc1 ZINC000333235391 403702370 /nfs/dbraw/zinc/70/23/70/403702370.db2.gz CXLDYYGELIRQIW-UHFFFAOYSA-N 1 0 321.428 2.360 10 0 DEAERO O=C(Nc1ccn2ccnc2c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333255880 403707828 /nfs/dbraw/zinc/70/78/28/403707828.db2.gz DFZBYGILAQIJPK-OAHLLOKOSA-N 1 0 313.405 2.330 10 0 DEAERO O=C(NCc1cccc2cccnc21)N1CCC2(CC[NH2+]2)CC1 ZINC000333284039 403715502 /nfs/dbraw/zinc/71/55/02/403715502.db2.gz MXYOPEBVYCOPID-UHFFFAOYSA-N 1 0 310.401 2.272 10 0 DEAERO C[C@@H](NC(=O)c1snnc1C(C)(C)C)C1=CC[N@H+](C)CC1 ZINC000333291718 403717765 /nfs/dbraw/zinc/71/77/65/403717765.db2.gz KRCSBVPNHMAIKB-SNVBAGLBSA-N 1 0 308.451 2.216 10 0 DEAERO O=C(NCc1ccc2ccccc2n1)N1CCC2(CC[NH2+]2)CC1 ZINC000333310496 403722067 /nfs/dbraw/zinc/72/20/67/403722067.db2.gz RQNQKZCKVGSJCG-UHFFFAOYSA-N 1 0 310.401 2.272 10 0 DEAERO C[C@H](C1CC1)n1nccc1NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000333370447 403736592 /nfs/dbraw/zinc/73/65/92/403736592.db2.gz UXAUBSOQCMDWFY-OCCSQVGLSA-N 1 0 305.426 2.460 10 0 DEAERO C[C@H](C1CC1)n1nccc1NC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000333370448 403736640 /nfs/dbraw/zinc/73/66/40/403736640.db2.gz UXAUBSOQCMDWFY-TZMCWYRMSA-N 1 0 305.426 2.460 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(OC2CCCC2)CC1 ZINC000333710375 403826136 /nfs/dbraw/zinc/82/61/36/403826136.db2.gz SGEJLJHQOKUGQX-BBRMVZONSA-N 1 0 309.454 2.118 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(OC2CCCC2)CC1 ZINC000333710377 403827644 /nfs/dbraw/zinc/82/76/44/403827644.db2.gz SGEJLJHQOKUGQX-CZUORRHYSA-N 1 0 309.454 2.118 10 0 DEAERO CC(C)[C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000305108076 403835340 /nfs/dbraw/zinc/83/53/40/403835340.db2.gz BZTMNZUJQACBHF-BPUTZDHNSA-N 1 0 311.470 2.098 10 0 DEAERO O=C(N[C@@H]1CCCOc2ccccc21)N[C@H]1CCCC[NH2+]C1 ZINC000333797194 403863855 /nfs/dbraw/zinc/86/38/55/403863855.db2.gz NLHPTMVXQWLREO-DZGCQCFKSA-N 1 0 303.406 2.342 10 0 DEAERO Cc1cnc(C2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)s1 ZINC000333820143 403873044 /nfs/dbraw/zinc/87/30/44/403873044.db2.gz KTEGTECXVBMEMJ-CQSZACIVSA-N 1 0 322.478 2.483 10 0 DEAERO CCOC[C@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000313284303 403981608 /nfs/dbraw/zinc/98/16/08/403981608.db2.gz DSCJQEASWFYWGQ-QZTJIDSGSA-N 1 0 307.434 2.455 10 0 DEAERO C(CN1CCO[C@@H](C2CCC2)C1)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411846680 403990948 /nfs/dbraw/zinc/99/09/48/403990948.db2.gz LWVGOQBOUVHEQM-RTBURBONSA-N 1 0 322.493 2.378 10 0 DEAERO Cc1cn[nH]c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000289464050 403974412 /nfs/dbraw/zinc/97/44/12/403974412.db2.gz IJMBBDBVNJTCJZ-STQMWFEESA-N 1 0 308.426 2.453 10 0 DEAERO Cc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2C)o1 ZINC000290569493 404223044 /nfs/dbraw/zinc/22/30/44/404223044.db2.gz WODDRYFAKIVRQT-YPMHNXCESA-N 1 0 301.394 2.056 10 0 DEAERO CC(C)(C)c1n[nH]cc1C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000328931626 404176542 /nfs/dbraw/zinc/17/65/42/404176542.db2.gz ZSVRHFYTEGKXSF-UHFFFAOYSA-N 1 0 301.394 2.450 10 0 DEAERO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329035845 404208944 /nfs/dbraw/zinc/20/89/44/404208944.db2.gz RDFFMVQHKCXSFN-HVOFVXBASA-N 1 0 302.422 2.003 10 0 DEAERO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2nnc3ccccn32)C1 ZINC000363923430 404252605 /nfs/dbraw/zinc/25/26/05/404252605.db2.gz GUKAJKACEGJKLP-UONOGXRCSA-N 1 0 310.405 2.279 10 0 DEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCC3)CC2 ZINC000329456265 404342392 /nfs/dbraw/zinc/34/23/92/404342392.db2.gz MWQCDLLUUHTOAQ-OCVGTWLNSA-N 1 0 316.449 2.264 10 0 DEAERO c1cncc(-c2nc3c(c(N4CC[NH+]5CCC4CC5)n2)CCC3)c1 ZINC000344805007 404378580 /nfs/dbraw/zinc/37/85/80/404378580.db2.gz CVSARNJAMNSJRU-UHFFFAOYSA-N 1 0 321.428 2.312 10 0 DEAERO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCCO)CC1 ZINC000370242508 404379970 /nfs/dbraw/zinc/37/99/70/404379970.db2.gz SBUZFEAIJSBKDU-HNNXBMFYSA-N 1 0 319.449 2.236 10 0 DEAERO CC(C)CNC(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000364739638 404523594 /nfs/dbraw/zinc/52/35/94/404523594.db2.gz ABYKXFKURMORRG-KRWDZBQOSA-N 1 0 309.498 2.347 10 0 DEAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCO3)n1 ZINC000365253123 404586036 /nfs/dbraw/zinc/58/60/36/404586036.db2.gz KWDGNSZQYUYSGQ-QGZVFWFLSA-N 1 0 312.417 2.494 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C(C)C)[C@@H]2CCOC2)c1 ZINC000291953156 404597557 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CCOC(=O)[C@H]1C[N@@H+]([C@H](C)c2ccccc2F)CC12COC2 ZINC000451139653 404877560 /nfs/dbraw/zinc/87/75/60/404877560.db2.gz SKQMIGPJXYUJHH-TZMCWYRMSA-N 1 0 307.365 2.398 10 0 DEAERO Cc1cc(C)n2c(C[NH2+][C@@H]3CCCc4nn(C)cc43)cnc2n1 ZINC000366968427 404884437 /nfs/dbraw/zinc/88/44/37/404884437.db2.gz DUDJAAQLMFKXPD-OAHLLOKOSA-N 1 0 310.405 2.247 10 0 DEAERO CC(C)NC(=O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360976933 404867587 /nfs/dbraw/zinc/86/75/87/404867587.db2.gz YTJYSUNNEWENSR-UHFFFAOYSA-N 1 0 306.406 2.256 10 0 DEAERO Cc1scc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000378401709 404953182 /nfs/dbraw/zinc/95/31/82/404953182.db2.gz KRBAYNRFLDJSPU-AWEZNQCLSA-N 1 0 321.490 2.263 10 0 DEAERO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435132577 404957803 /nfs/dbraw/zinc/95/78/03/404957803.db2.gz YDFIJHCLNLZKIP-ZDUSSCGKSA-N 1 0 316.405 2.408 10 0 DEAERO C[C@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000423945199 404940362 /nfs/dbraw/zinc/94/03/62/404940362.db2.gz 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CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(OC)c(C)c(OC)c2)C1 ZINC000455569537 405428955 /nfs/dbraw/zinc/42/89/55/405428955.db2.gz BMDIQJOMLSCWAA-ZDUSSCGKSA-N 1 0 321.421 2.476 10 0 DEAERO C[C@H]([NH2+]CCc1cn(C)cn1)c1cncc(Br)c1 ZINC000577627586 405483910 /nfs/dbraw/zinc/48/39/10/405483910.db2.gz BJWHGQRFUDKNEO-JTQLQIEISA-N 1 0 309.211 2.471 10 0 DEAERO CCOC[C@@H]1CCCCN1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000458663463 405530241 /nfs/dbraw/zinc/53/02/41/405530241.db2.gz PRRQKDKANWOXII-INIZCTEOSA-N 1 0 309.454 2.239 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000449396892 405546127 /nfs/dbraw/zinc/54/61/27/405546127.db2.gz NCRUBDVLKZLPQC-RDJZCZTQSA-N 1 0 306.450 2.063 10 0 DEAERO COc1nsc(C[NH2+]C[C@H](C)C[C@@H](C)O)c1Br ZINC000638678574 405612835 /nfs/dbraw/zinc/61/28/35/405612835.db2.gz DEUVXKWPMLBAOK-HTQZYQBOSA-N 1 0 323.256 2.411 10 0 DEAERO CC(C)COC[C@H](O)C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493969790 405619643 /nfs/dbraw/zinc/61/96/43/405619643.db2.gz PDFQGYUSQAELNP-LXPRWKDFSA-N 1 0 307.434 2.357 10 0 DEAERO CSc1ccc(Cl)c(C(=O)NCCOCCC[NH3+])c1 ZINC000638657447 405599867 /nfs/dbraw/zinc/59/98/67/405599867.db2.gz PMDBRWQTOSEXJT-UHFFFAOYSA-N 1 0 302.827 2.157 10 0 DEAERO c1c(-c2nc(CCc3ccccc3)no2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000580551803 405641738 /nfs/dbraw/zinc/64/17/38/405641738.db2.gz JUIWFQWCQRYONX-CQSZACIVSA-N 1 0 324.388 2.038 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c(F)cccc1Br ZINC000638770355 405659729 /nfs/dbraw/zinc/65/97/29/405659729.db2.gz BSPWAKYVCDUFMM-OIBJUYFYSA-N 1 0 301.159 2.068 10 0 DEAERO CC(=O)c1ccc(CC(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)cc1 ZINC000636089392 405729980 /nfs/dbraw/zinc/72/99/80/405729980.db2.gz RTBFWUKSNLGXEM-CVEARBPZSA-N 1 0 302.418 2.277 10 0 DEAERO C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2)C[C@@H]1C[NH3+] ZINC000638887207 405740242 /nfs/dbraw/zinc/74/02/42/405740242.db2.gz JZWKIAOFKQUPCW-WPRPVWTQSA-N 1 0 315.186 2.255 10 0 DEAERO [NH3+][C@@H](CCNC(=O)COCc1ccccc1)Cc1ccccc1 ZINC000638907644 405753444 /nfs/dbraw/zinc/75/34/44/405753444.db2.gz 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10 0 DEAERO c1cnn(C2CC([NH2+]C[C@H](c3nnc[nH]3)c3ccccc3)C2)c1 ZINC000639234967 405992889 /nfs/dbraw/zinc/99/28/89/405992889.db2.gz DMYRTPJEKLARGV-GPANFISMSA-N 1 0 308.389 2.126 10 0 DEAERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCC12CCC2 ZINC000531770649 406004037 /nfs/dbraw/zinc/00/40/37/406004037.db2.gz FBYPNOWUFKNBAA-CVEARBPZSA-N 1 0 321.465 2.092 10 0 DEAERO Cc1csc([C@H](C)NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)n1 ZINC000532060541 406039546 /nfs/dbraw/zinc/03/95/46/406039546.db2.gz JSLFJKQGWFMXAO-CDMKHQONSA-N 1 0 308.451 2.294 10 0 DEAERO CO[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460659709 406079766 /nfs/dbraw/zinc/07/97/66/406079766.db2.gz XCUGGPUPMGDADS-BARDWOONSA-N 1 0 311.470 2.362 10 0 DEAERO C(c1noc(CN2CCC[N@@H+](C3CCCC3)CC2)n1)C1CC1 ZINC000639494440 406114891 /nfs/dbraw/zinc/11/48/91/406114891.db2.gz ACVMEEURIJBRQW-UHFFFAOYSA-N 1 0 304.438 2.472 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNCc1c(Br)cnn1C ZINC000487280703 406220878 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CC1=CC[N@H+](CCNC(=O)NC[C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000545227912 406304962 /nfs/dbraw/zinc/30/49/62/406304962.db2.gz YNZVSEZDYPYHTA-WMZOPIPTSA-N 1 0 321.465 2.143 10 0 DEAERO c1sc(CCCNCC23CC(C2)C[NH2+]3)nc1-c1ccncc1 ZINC000634995354 406390330 /nfs/dbraw/zinc/39/03/30/406390330.db2.gz BKVWKXOTLRTKMC-UHFFFAOYSA-N 1 0 314.458 2.479 10 0 DEAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000635001201 406393428 /nfs/dbraw/zinc/39/34/28/406393428.db2.gz KDWKGRDXQTZAHZ-RZFFKMDDSA-N 1 0 307.235 2.429 10 0 DEAERO O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000570502118 406401670 /nfs/dbraw/zinc/40/16/70/406401670.db2.gz SZBNTAUCNYMYMQ-GOSISDBHSA-N 1 0 324.428 2.174 10 0 DEAERO Cc1ccsc1CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000637907396 406472196 /nfs/dbraw/zinc/47/21/96/406472196.db2.gz LNXIBUVSXUXKQL-OAHLLOKOSA-N 1 0 317.458 2.132 10 0 DEAERO CN(C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000637931725 406482916 /nfs/dbraw/zinc/48/29/16/406482916.db2.gz PJAXFSQWJXYHQT-QGZVFWFLSA-N 1 0 315.392 2.248 10 0 DEAERO C[C@@H]1CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000637948732 406491343 /nfs/dbraw/zinc/49/13/43/406491343.db2.gz QRBDKFFFWDTUBG-MRXNPFEDSA-N 1 0 315.461 2.238 10 0 DEAERO Cc1cc(NC(=O)[C@]2(C)C[NH2+]CCO2)ccc1Br ZINC000637872765 406456062 /nfs/dbraw/zinc/45/60/62/406456062.db2.gz VEECRJSPWUBGQB-ZDUSSCGKSA-N 1 0 313.195 2.075 10 0 DEAERO c1cc2c(ncnc2N2CC[NH+](CCC[C@@H]3CCO3)CC2)s1 ZINC000637890742 406464620 /nfs/dbraw/zinc/46/46/20/406464620.db2.gz XCSSEQCYDTZVNC-CYBMUJFWSA-N 1 0 318.446 2.382 10 0 DEAERO O=C1C[C@@H](C[NH2+]Cc2ccccn2)[C@H](c2cccnc2)N1C1CC1 ZINC000571800400 406568539 /nfs/dbraw/zinc/56/85/39/406568539.db2.gz ZLXCQPMOCPNENX-KXBFYZLASA-N 1 0 322.412 2.318 10 0 DEAERO C1CC[NH+]([C@@H]2CCCN(c3nc(C4CCOCC4)no3)CC2)C1 ZINC000569198598 292396150 /nfs/dbraw/zinc/39/61/50/292396150.db2.gz ASEPVMGHUUKMIK-OAHLLOKOSA-N 1 0 320.437 2.418 10 0 DEAERO CCCC1(CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638045739 406541349 /nfs/dbraw/zinc/54/13/49/406541349.db2.gz VYNIARMWOKQDTB-MRXNPFEDSA-N 1 0 303.450 2.142 10 0 DEAERO C[C@@H]1CCCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000637971508 406502419 /nfs/dbraw/zinc/50/24/19/406502419.db2.gz WCKAOOCEEAUYQY-VYDXJSESSA-N 1 0 303.450 2.093 10 0 DEAERO c1ccc(N2CC[C@@H](C[N@@H+]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000638167743 406603311 /nfs/dbraw/zinc/60/33/11/406603311.db2.gz HJGKQCSUHJEXLD-KRWDZBQOSA-N 1 0 316.445 2.394 10 0 DEAERO CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638181820 406611531 /nfs/dbraw/zinc/61/15/31/406611531.db2.gz JEAVOHFTKNSGSO-ZWKOTPCHSA-N 1 0 315.461 2.313 10 0 DEAERO c1cc(CN2CCOCC2)ccc1C[NH2+]CCC[C@@H]1CCO1 ZINC000638305275 406686088 /nfs/dbraw/zinc/68/60/88/406686088.db2.gz TYRIUFBGEJNQIH-GOSISDBHSA-N 1 0 304.434 2.178 10 0 DEAERO CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638313476 406693512 /nfs/dbraw/zinc/69/35/12/406693512.db2.gz XAMDBVYSNYQFMP-UAGQMJEPSA-N 1 0 303.450 2.235 10 0 DEAERO c1nc2cnccn2c1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000553581107 406766017 /nfs/dbraw/zinc/76/60/17/406766017.db2.gz RWNPQXXHBZAXFK-CQSZACIVSA-N 1 0 310.357 2.049 10 0 DEAERO c1cc(CN2CCC([NH2+]CC[C@H]3CCCOC3)CC2)ccn1 ZINC000527925225 406789403 /nfs/dbraw/zinc/78/94/03/406789403.db2.gz IKDPPNKJMXUXKC-QGZVFWFLSA-N 1 0 303.450 2.452 10 0 DEAERO C[C@H]1C[C@H](NC(=O)N2CCC(C3CCOCC3)CC2)CC[N@@H+]1C ZINC000554587495 406814791 /nfs/dbraw/zinc/81/47/91/406814791.db2.gz ARXMABWECISCFK-WMLDXEAASA-N 1 0 323.481 2.317 10 0 DEAERO c1cnc(N2CCC([NH2+]CCCC3CCOCC3)CC2)cn1 ZINC000556162135 406864224 /nfs/dbraw/zinc/86/42/24/406864224.db2.gz GFYSGWORTFCOMS-UHFFFAOYSA-N 1 0 304.438 2.242 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCC(C)(C)C ZINC000173832595 287224903 /nfs/dbraw/zinc/22/49/03/287224903.db2.gz VAJVETNWLZYNIX-ZIAGYGMSSA-N 1 0 302.484 2.311 10 0 DEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)[C@@H](OC)C1CC1 ZINC000129201849 196028848 /nfs/dbraw/zinc/02/88/48/196028848.db2.gz ZHMYCVTYCODFJI-MFKMUULPSA-N 1 0 316.243 2.047 10 0 DEAERO CCC[NH2+]C[C@@H]1CC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129285401 196035484 /nfs/dbraw/zinc/03/54/84/196035484.db2.gz HFUWOFNXLSTBKR-ZNMIVQPWSA-N 1 0 302.484 2.074 10 0 DEAERO CCN(CC)c1ncc(C[NH2+]CC[C@H](C)[S@@](C)=O)s1 ZINC000129399704 196044663 /nfs/dbraw/zinc/04/46/63/196044663.db2.gz MZEBODCLPCSDEG-WLRWDXFRSA-N 1 0 303.497 2.236 10 0 DEAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129394335 196044752 /nfs/dbraw/zinc/04/47/52/196044752.db2.gz OUCAMZWYHRQLAT-ZNMIVQPWSA-N 1 0 316.511 2.462 10 0 DEAERO CN(CC[C@@H]1COCC[NH2+]1)Cc1ccccc1Br ZINC000129402667 196044869 /nfs/dbraw/zinc/04/48/69/196044869.db2.gz SLRJYOXSMGLHDX-CYBMUJFWSA-N 1 0 313.239 2.259 10 0 DEAERO COc1ccc(Oc2nccnc2C[NH3+])c(Br)c1 ZINC000129493249 196053211 /nfs/dbraw/zinc/05/32/11/196053211.db2.gz KHVOIFBNPAOJCI-UHFFFAOYSA-N 1 0 310.151 2.499 10 0 DEAERO CSCC[C@H]([NH3+])C(=O)Nc1ncc(Br)cc1C ZINC000129563244 196058230 /nfs/dbraw/zinc/05/82/30/196058230.db2.gz UMMRAEWYKXJXOL-VIFPVBQESA-N 1 0 318.240 2.171 10 0 DEAERO CCC[NH2+]C[C@H]1CCC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129615662 196062239 /nfs/dbraw/zinc/06/22/39/196062239.db2.gz WNKRBWRCIAJDDI-HRCADAONSA-N 1 0 316.511 2.464 10 0 DEAERO Cc1cc(Br)cc2nc([C@@]3(C)COC[C@@H]3[NH3+])[nH]c21 ZINC000129620457 196062609 /nfs/dbraw/zinc/06/26/09/196062609.db2.gz WJXBREOQSRWKRP-GWCFXTLKSA-N 1 0 310.195 2.249 10 0 DEAERO CC(C)(C(=O)N1CCC[C@@H]1c1cccs1)N1CC[NH2+]CC1 ZINC000129645114 196064618 /nfs/dbraw/zinc/06/46/18/196064618.db2.gz JGKVVHMTJYDADK-CYBMUJFWSA-N 1 0 307.463 2.095 10 0 DEAERO CC(C)[NH2+]C[C@H]1CCC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129674971 196066910 /nfs/dbraw/zinc/06/69/10/196066910.db2.gz TZKSSNBUKVCAHL-ARFHVFGLSA-N 1 0 316.511 2.462 10 0 DEAERO C[C@@H](CC(=O)N[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000129703876 196069586 /nfs/dbraw/zinc/06/95/86/196069586.db2.gz ZQGAFCDGFRZZJQ-GWCFXTLKSA-N 1 0 311.223 2.421 10 0 DEAERO COc1cc(C[NH3+])ccc1NS(=O)(=O)Cc1ccccc1 ZINC000129753126 196072708 /nfs/dbraw/zinc/07/27/08/196072708.db2.gz BIRZRRDGDSPVAO-UHFFFAOYSA-N 1 0 306.387 2.096 10 0 DEAERO C[NH2+]C[C@@H]1COCCN1Cc1ccc(F)c(Br)c1 ZINC000130715777 196103506 /nfs/dbraw/zinc/10/35/06/196103506.db2.gz LTCTZOYNEQKUCT-LLVKDONJSA-N 1 0 317.202 2.008 10 0 DEAERO CC[C@@H]1N[C@H](c2cccs2)N(C[C@@H](C)[NH+]2CCCC2)C1=O ZINC000130780121 196109907 /nfs/dbraw/zinc/10/99/07/196109907.db2.gz RJWUYDPUSUJIGM-IPYPFGDCSA-N 1 0 307.463 2.441 10 0 DEAERO COc1nc2sccn2c1C[NH2+]CC1(CO)CCCCC1 ZINC000130803110 196111221 /nfs/dbraw/zinc/11/12/21/196111221.db2.gz PBBGLMFGLHWXTQ-UHFFFAOYSA-N 1 0 309.435 2.437 10 0 DEAERO CC[NH2+]C[C@@H]1COCCN1Cc1sccc1Br ZINC000130797091 196111341 /nfs/dbraw/zinc/11/13/41/196111341.db2.gz PSPCCPRUDXJIKG-SNVBAGLBSA-N 1 0 319.268 2.321 10 0 DEAERO Brc1cccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000131090904 196138777 /nfs/dbraw/zinc/13/87/77/196138777.db2.gz MZNJIHYQQROEGZ-NSHDSACASA-N 1 0 310.239 2.418 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)Cc1ccc(F)c(F)c1 ZINC000131161558 196146107 /nfs/dbraw/zinc/14/61/07/196146107.db2.gz GARHXQXTEUOEGK-GFCCVEGCSA-N 1 0 305.390 2.310 10 0 DEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@H](C)CCSC)c1 ZINC000131238737 196151854 /nfs/dbraw/zinc/15/18/54/196151854.db2.gz VLUHEMLVCHHFLY-NEPJUHHUSA-N 1 0 316.492 2.387 10 0 DEAERO CSCC[C@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000131235948 196152407 /nfs/dbraw/zinc/15/24/07/196152407.db2.gz AMNNYOQKENLDMR-QWRGUYRKSA-N 1 0 302.465 2.126 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)OCC)cc1 ZINC000131230450 196152508 /nfs/dbraw/zinc/15/25/08/196152508.db2.gz QZUFEEBLWCNULC-OLZOCXBDSA-N 1 0 314.451 2.060 10 0 DEAERO CN(CC[N@@H+]1CCCN(c2cccnn2)CC1)c1ccccc1 ZINC000131438896 196169135 /nfs/dbraw/zinc/16/91/35/196169135.db2.gz YRLVFIMPIXHQJH-UHFFFAOYSA-N 1 0 311.433 2.125 10 0 DEAERO C[NH2+][C@H](Cc1cccc(F)c1F)[C@H]1CCCCS1(=O)=O ZINC000131482942 196173389 /nfs/dbraw/zinc/17/33/89/196173389.db2.gz UKRMGSRYWIVYPU-CHWSQXEVSA-N 1 0 303.374 2.063 10 0 DEAERO CC[NH2+][C@H](Cc1cccc(F)c1F)[C@H]1CCCCS1(=O)=O ZINC000131484621 196173887 /nfs/dbraw/zinc/17/38/87/196173887.db2.gz MNTJOEKLTMRWJB-ZIAGYGMSSA-N 1 0 317.401 2.453 10 0 DEAERO C[NH2+][C@@H](Cc1cccc(F)c1F)[C@@H]1CCCCS1(=O)=O ZINC000131482362 196173963 /nfs/dbraw/zinc/17/39/63/196173963.db2.gz UKRMGSRYWIVYPU-STQMWFEESA-N 1 0 303.374 2.063 10 0 DEAERO C[C@@H](C[NH+](C)C)N1C(=O)C2(CCCC2)N[C@H]1c1ccsc1 ZINC000131647986 196186880 /nfs/dbraw/zinc/18/68/80/196186880.db2.gz PNPLKTGRLAMIMQ-GXTWGEPZSA-N 1 0 307.463 2.441 10 0 DEAERO COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(O)c1 ZINC000131859906 196204629 /nfs/dbraw/zinc/20/46/29/196204629.db2.gz GZOHCJMXDCYCCR-YHWZYXNKSA-N 1 0 304.390 2.146 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc2[nH]cnc2c1 ZINC000132183899 196233632 /nfs/dbraw/zinc/23/36/32/196233632.db2.gz JGYYHJDCQHTOFQ-INIZCTEOSA-N 1 0 322.412 2.466 10 0 DEAERO C[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000132210307 196235141 /nfs/dbraw/zinc/23/51/41/196235141.db2.gz LEOCCNQJMCJABC-CHWSQXEVSA-N 1 0 312.435 2.036 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(OCCS(C)(=O)=O)c(Cl)c1 ZINC000132479955 196258725 /nfs/dbraw/zinc/25/87/25/196258725.db2.gz YWSSNOSOTDVWKE-SNVBAGLBSA-N 1 0 305.827 2.434 10 0 DEAERO COC[C@](C)(CCO)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000132543027 196264558 /nfs/dbraw/zinc/26/45/58/196264558.db2.gz YGWZHHVDYAISMD-AWEZNQCLSA-N 1 0 321.339 2.461 10 0 DEAERO C[C@@H](Cc1ccccc1)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000132746055 196280006 /nfs/dbraw/zinc/28/00/06/196280006.db2.gz IIVOWTKDZMQBBA-HNNXBMFYSA-N 1 0 324.490 2.221 10 0 DEAERO CC[C@@H]([NH2+]CCNC(N)=O)c1ccc(Br)cc1 ZINC000132781972 196283408 /nfs/dbraw/zinc/28/34/08/196283408.db2.gz UCOAGHRJUXEANZ-LLVKDONJSA-N 1 0 300.200 2.158 10 0 DEAERO CCCN(CC(F)(F)F)c1cc(NN)[nH+]c(COCC)n1 ZINC000132861515 196291014 /nfs/dbraw/zinc/29/10/14/196291014.db2.gz BPJIUZUUDUYFJI-UHFFFAOYSA-N 1 0 307.320 2.077 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000132974181 196301228 /nfs/dbraw/zinc/30/12/28/196301228.db2.gz SVEDWAUIMYZCHS-HNNXBMFYSA-N 1 0 318.808 2.240 10 0 DEAERO C[C@@H]([NH3+])CCCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000133145896 196314789 /nfs/dbraw/zinc/31/47/89/196314789.db2.gz AETWYNDNZIGYPA-SNVBAGLBSA-N 1 0 307.785 2.377 10 0 DEAERO C[C@@H]([NH3+])CCCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000133156153 196317646 /nfs/dbraw/zinc/31/76/46/196317646.db2.gz MALPNFBRCKGMOJ-SECBINFHSA-N 1 0 320.361 2.139 10 0 DEAERO CC[NH2+][C@H](Cc1cc(C)ccc1OC)C(C)(C)S(C)(=O)=O ZINC000133171837 196318330 /nfs/dbraw/zinc/31/83/30/196318330.db2.gz ILBCVWVMFHVDDQ-OAHLLOKOSA-N 1 0 313.463 2.347 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](CC)CSC)cc1 ZINC000133266743 196326038 /nfs/dbraw/zinc/32/60/38/196326038.db2.gz XZVNWFMVETUXHK-CYBMUJFWSA-N 1 0 316.492 2.216 10 0 DEAERO CCC[N@H+](CC(=O)NC)Cc1ccc(O)c(Br)c1 ZINC000133294451 196328545 /nfs/dbraw/zinc/32/85/45/196328545.db2.gz SOXVZHIHIPMXCR-UHFFFAOYSA-N 1 0 315.211 2.113 10 0 DEAERO Cn1ncc(Br)c1[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000133749855 196334197 /nfs/dbraw/zinc/33/41/97/196334197.db2.gz BXGNCQJHIGPHSF-LBPRGKRZSA-N 1 0 324.178 2.002 10 0 DEAERO CC[C@@]1(C(=O)Nc2cccc(Br)c2O)CC[NH2+]C1 ZINC000133801752 196336956 /nfs/dbraw/zinc/33/69/56/196336956.db2.gz WVTMRECXPRVVSQ-CYBMUJFWSA-N 1 0 313.195 2.483 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)NCC[S@@](=O)CC)cc1 ZINC000134085401 196359504 /nfs/dbraw/zinc/35/95/04/196359504.db2.gz LTLVNIGKMAGZSD-LAJNKCICSA-N 1 0 311.451 2.247 10 0 DEAERO COc1ccc(C(C)(C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OC ZINC000134265851 196374748 /nfs/dbraw/zinc/37/47/48/196374748.db2.gz WDVCGGISIUBHDJ-CQSZACIVSA-N 1 0 320.433 2.144 10 0 DEAERO CC[C@H](CCO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000134400064 196386828 /nfs/dbraw/zinc/38/68/28/196386828.db2.gz DKHYNQATCBBSJB-MNOVXSKESA-N 1 0 322.232 2.484 10 0 DEAERO Cc1ccccc1S(=O)(=O)N[C@](C)(C[NH3+])c1ccccc1 ZINC000134472294 196393889 /nfs/dbraw/zinc/39/38/89/196393889.db2.gz CFTRCGJBLXIJHJ-MRXNPFEDSA-N 1 0 304.415 2.147 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](CCO)C1CCCCC1 ZINC000136814792 196553593 /nfs/dbraw/zinc/55/35/93/196553593.db2.gz NIDYMUNFRALEGT-GDBMZVCRSA-N 1 0 313.486 2.347 10 0 DEAERO Cc1cccc(C2([NH2+]C[C@@H](O)CN3CCCC3=O)CCCC2)c1 ZINC000178831346 224874056 /nfs/dbraw/zinc/87/40/56/224874056.db2.gz SUWLISBIGVYJQV-QGZVFWFLSA-N 1 0 316.445 2.337 10 0 DEAERO CCn1c(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)nc2cc(F)ccc21 ZINC000184822227 224942760 /nfs/dbraw/zinc/94/27/60/224942760.db2.gz GDIUXGQWWQALBV-QWHCGFSZSA-N 1 0 318.396 2.329 10 0 DEAERO C[C@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000190248537 225078358 /nfs/dbraw/zinc/07/83/58/225078358.db2.gz OIEOHAPOBTVYHK-NSHDSACASA-N 1 0 320.330 2.343 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCOCC(F)(F)C(F)(F)F ZINC000191168392 225105910 /nfs/dbraw/zinc/10/59/10/225105910.db2.gz UGIXCLCSVUCCNH-RKDXNWHRSA-N 1 0 305.287 2.434 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 ZINC000192212499 225129546 /nfs/dbraw/zinc/12/95/46/225129546.db2.gz UXXUEOVBKRQDQU-UHFFFAOYSA-N 1 0 301.312 2.267 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(CC1CCC1)C(C)C ZINC000193653342 225165998 /nfs/dbraw/zinc/16/59/98/225165998.db2.gz RHEFJQIRSBNCCM-MRXNPFEDSA-N 1 0 311.470 2.317 10 0 DEAERO COCC[NH+]1CCC(NC(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194315836 225178871 /nfs/dbraw/zinc/17/88/71/225178871.db2.gz RAKBDBYWAUZSCW-UHFFFAOYSA-N 1 0 316.405 2.400 10 0 DEAERO O=C(c1cc(Br)cs1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195338940 225204353 /nfs/dbraw/zinc/20/43/53/225204353.db2.gz QOGDQIQSBQNSLK-SNVBAGLBSA-N 1 0 315.236 2.431 10 0 DEAERO Cn1cc(CCC[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)cn1 ZINC000299740427 229375534 /nfs/dbraw/zinc/37/55/34/229375534.db2.gz ZRHLKGSRXNEKRU-MRXNPFEDSA-N 1 0 313.449 2.375 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2c[nH]nc2N)CC1 ZINC000616629965 422515775 /nfs/dbraw/zinc/51/57/75/422515775.db2.gz XDDGAOHCTSPXTQ-LBPRGKRZSA-N 1 0 323.441 2.086 10 0 DEAERO O=C(c1ncccc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000521611830 424828030 /nfs/dbraw/zinc/82/80/30/424828030.db2.gz XBLAXLPBQQUTCA-CQSZACIVSA-N 1 0 324.222 2.060 10 0 DEAERO CCOC(=O)c1cc(NCC[N@H+]2CC=C(C)CC2)ncc1Cl ZINC000359567911 424830831 /nfs/dbraw/zinc/83/08/31/424830831.db2.gz WHLVTAAVWFGSGJ-UHFFFAOYSA-N 1 0 323.824 2.976 10 0 DEAERO COc1ccc([C@H](C)NC(=O)NCCC[NH+](C)C)cc1OC ZINC000042920765 424811317 /nfs/dbraw/zinc/81/13/17/424811317.db2.gz NAEYSUXXJKPBBS-LBPRGKRZSA-N 1 0 309.410 2.016 10 0 DEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCOCC(F)(F)F)C2)n1 ZINC000105885476 424849460 /nfs/dbraw/zinc/84/94/60/424849460.db2.gz SQIZCODGWCEPBN-ZDUSSCGKSA-N 1 0 320.359 2.186 10 0 DEAERO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)C(C)(C)C ZINC000114473590 424852054 /nfs/dbraw/zinc/85/20/54/424852054.db2.gz VJSFVJPMRBOLAQ-GDBMZVCRSA-N 1 0 304.434 2.327 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000194452084 424876229 /nfs/dbraw/zinc/87/62/29/424876229.db2.gz YSEYBUCWJNIEGJ-WBVHZDCISA-N 1 0 319.449 2.202 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)c2ccc(OC(F)(F)F)cc2)C[NH2+]1 ZINC000131153895 424858404 /nfs/dbraw/zinc/85/84/04/424858404.db2.gz XSJXWXLQVTYNIX-ONGXEEELSA-N 1 0 302.296 2.456 10 0 DEAERO c1nnn(Cc2ccccc2)c1CNc1ccc2c([nH+]1)CCC2 ZINC000566601597 424911088 /nfs/dbraw/zinc/91/10/88/424911088.db2.gz RNHYJLVVRHNOBL-UHFFFAOYSA-N 1 0 305.385 2.822 10 0 DEAERO OC[C@@H]([NH2+]C1CSC1)c1ccc(Br)c(F)c1 ZINC000390751791 424917478 /nfs/dbraw/zinc/91/74/78/424917478.db2.gz DFEQMVREMVQVTB-LLVKDONJSA-N 1 0 306.200 2.327 10 0 DEAERO CC[C@@H]1CN(CC(=O)N(CC)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000390767112 424917498 /nfs/dbraw/zinc/91/74/98/424917498.db2.gz RTIJTUUTSNZFLV-SJORKVTESA-N 1 0 303.450 2.094 10 0 DEAERO Cc1cc(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)nn1C1CCCCC1 ZINC000333256647 424920402 /nfs/dbraw/zinc/92/04/02/424920402.db2.gz DHICALOPLMMIAK-JSGCOSHPSA-N 1 0 305.426 2.650 10 0 DEAERO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)nn1C1CCCCC1 ZINC000333313733 424920868 /nfs/dbraw/zinc/92/08/68/424920868.db2.gz LZUMWQMYUQSEGF-SWLSCSKDSA-N 1 0 319.453 2.816 10 0 DEAERO CC(C)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404151857 424925610 /nfs/dbraw/zinc/92/56/10/424925610.db2.gz QBZASLDSHIVVRU-IRXDYDNUSA-N 1 0 302.418 2.144 10 0 DEAERO CN(C(=O)c1nscc1Br)[C@H]1CCC[NH2+]CC1 ZINC000404771120 424928944 /nfs/dbraw/zinc/92/89/44/424928944.db2.gz JLLVTVASSGQGJB-QMMMGPOBSA-N 1 0 318.240 2.120 10 0 DEAERO CCCC[C@@H](C[NH3+])NC(=O)c1nscc1Br ZINC000404816473 424930067 /nfs/dbraw/zinc/93/00/67/424930067.db2.gz PYHVFECLQYUAEA-ZETCQYMHSA-N 1 0 306.229 2.153 10 0 DEAERO Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c1 ZINC000249564192 424887889 /nfs/dbraw/zinc/88/78/89/424887889.db2.gz MOSFBQCTWZJDMI-NUJGCVRESA-N 1 0 307.434 2.218 10 0 DEAERO COc1c(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c(C)nn1C ZINC000657808661 425404917 /nfs/dbraw/zinc/40/49/17/425404917.db2.gz ZNDVSCMEWAKFDU-INIZCTEOSA-N 1 0 314.433 2.101 10 0 DEAERO CN1C[C@H](C[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1=O ZINC000658237651 425459196 /nfs/dbraw/zinc/45/91/96/425459196.db2.gz BXOCKYHZHOXUBH-BBWFWOEESA-N 1 0 316.445 2.438 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC(C)(C)O2)CC1 ZINC000188622284 267677106 /nfs/dbraw/zinc/67/71/06/267677106.db2.gz BMBJIVUKTNPCHQ-HNNXBMFYSA-N 1 0 311.470 2.365 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cn3ccnc3s2)C1 ZINC000190637661 267710416 /nfs/dbraw/zinc/71/04/16/267710416.db2.gz PFVLQINSJUJDLC-CHWSQXEVSA-N 1 0 320.462 2.494 10 0 DEAERO Cc1ccc(SCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000662976379 425770402 /nfs/dbraw/zinc/77/04/02/425770402.db2.gz OWPRYIDDYUTABX-LLVKDONJSA-N 1 0 306.353 2.435 10 0 DEAERO CCCN(C(=O)N[C@@H]1CCCC[NH2+]C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000333710367 268981414 /nfs/dbraw/zinc/98/14/14/268981414.db2.gz SGCOBPHRRUGQKU-FPCVCCKLSA-N 1 0 323.481 2.364 10 0 DEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCCC[NH2+]C2)C12CCC2 ZINC000333771334 268990105 /nfs/dbraw/zinc/99/01/05/268990105.db2.gz CBGLNUNIRKKGRO-RRFJBIMHSA-N 1 0 309.454 2.118 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@H]2CCC[NH2+][C@@H]2C)no1 ZINC000333898251 269001972 /nfs/dbraw/zinc/00/19/72/269001972.db2.gz ZJNBLZOENLAIKA-AGIUHOORSA-N 1 0 321.425 2.180 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3nc4ccccc4nc3N3CCCC3)C[C@H]12 ZINC000333918050 269004113 /nfs/dbraw/zinc/00/41/13/269004113.db2.gz OAMUQUHIFZQWCL-QLFBSQMISA-N 1 0 323.444 2.404 10 0 DEAERO Brc1cnn(C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000363461694 269063700 /nfs/dbraw/zinc/06/37/00/269063700.db2.gz WSWGBQUETAEGRM-LBPRGKRZSA-N 1 0 300.200 2.071 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(Br)c2F)C1 ZINC000390015305 269097154 /nfs/dbraw/zinc/09/71/54/269097154.db2.gz UQEMPCUBVKGEGY-SECBINFHSA-N 1 0 315.186 2.412 10 0 DEAERO CNC(=O)[C@@H]1CC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000398589655 269109582 /nfs/dbraw/zinc/10/95/82/269109582.db2.gz WFPTTYQPZGCQFS-SNVBAGLBSA-N 1 0 315.186 2.156 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cnc(CC(C)C)nc2)C1 ZINC000525910983 269494454 /nfs/dbraw/zinc/49/44/54/269494454.db2.gz LWBNBPOFBQASLA-ZDUSSCGKSA-N 1 0 305.426 2.138 10 0 DEAERO CCC[C@@H](C(=O)NCC1CCN(CC(F)(F)F)CC1)[NH+](C)C ZINC000186990922 273616698 /nfs/dbraw/zinc/61/66/98/273616698.db2.gz DRIDPBDYGPUWRM-ZDUSSCGKSA-N 1 0 323.403 2.107 10 0 DEAERO COC[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)C(C)C ZINC000090938697 274044396 /nfs/dbraw/zinc/04/43/96/274044396.db2.gz OIDXAJUKWUXIGM-XJKSGUPXSA-N 1 0 303.406 2.046 10 0 DEAERO Cn1ccnc1[C@@H]([NH2+]CCCNC(=O)c1cccs1)C1CC1 ZINC000183325625 274897377 /nfs/dbraw/zinc/89/73/77/274897377.db2.gz NISVWNAZXDZJAS-AWEZNQCLSA-N 1 0 318.446 2.342 10 0 DEAERO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CCCn3ncnc32)CC1 ZINC000152502927 275518490 /nfs/dbraw/zinc/51/84/90/275518490.db2.gz SLGYYUCNCKDNHE-ZDUSSCGKSA-N 1 0 321.425 2.102 10 0 DEAERO CC1(C)C[C@H]([NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C(C)(C)O1 ZINC000249483902 275867115 /nfs/dbraw/zinc/86/71/15/275867115.db2.gz XOQBRHQNYWVGNF-KFWWJZLASA-N 1 0 324.465 2.092 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@@H]1CCCc2c1cnn2C ZINC000157563079 276111778 /nfs/dbraw/zinc/11/17/78/276111778.db2.gz DRNJKQDQUVFUEE-DZGCQCFKSA-N 1 0 321.469 2.169 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000076103261 276112447 /nfs/dbraw/zinc/11/24/47/276112447.db2.gz DLNNTRHQXABXBR-LBPRGKRZSA-N 1 0 318.421 2.423 10 0 DEAERO CC[N@H+](CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C)C1CC1 ZINC000471816322 276126658 /nfs/dbraw/zinc/12/66/58/276126658.db2.gz NCQUKIXGMWDAPL-CMPLNLGQSA-N 1 0 307.360 2.453 10 0 DEAERO CC1(CO)CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000408226103 276169071 /nfs/dbraw/zinc/16/90/71/276169071.db2.gz ZUCQGVMVWJAWHQ-UHFFFAOYSA-N 1 0 320.477 2.166 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1cc(C)ccc1OC ZINC000175357773 276182604 /nfs/dbraw/zinc/18/26/04/276182604.db2.gz DXKIJIXULZUQAH-HNNXBMFYSA-N 1 0 319.449 2.358 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(-c4ccco4)on3)CC[C@H]21 ZINC000247928141 277067631 /nfs/dbraw/zinc/06/76/31/277067631.db2.gz BTYJDPLENKPGEC-TZMCWYRMSA-N 1 0 315.373 2.491 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1C ZINC000188731455 277085541 /nfs/dbraw/zinc/08/55/41/277085541.db2.gz WFTNHEMZYOKIMQ-RYUDHWBXSA-N 1 0 303.406 2.118 10 0 DEAERO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)cs3)C[C@H]21 ZINC000301630992 277125031 /nfs/dbraw/zinc/12/50/31/277125031.db2.gz COJSZCZITKAFOA-HUUCEWRRSA-N 1 0 319.405 2.468 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cnc(Cl)cn2)[C@H]1c1ccccc1 ZINC000248650735 277137467 /nfs/dbraw/zinc/13/74/67/277137467.db2.gz MELTYOQBDUSVQI-IUODEOHRSA-N 1 0 316.792 2.305 10 0 DEAERO COC1([C@@H](C)[NH2+][C@@H]2COc3c(C)cccc3C2)CCOCC1 ZINC000453247106 277473063 /nfs/dbraw/zinc/47/30/63/277473063.db2.gz HJHARMYTDPUFSP-ZBFHGGJFSA-N 1 0 305.418 2.472 10 0 DEAERO COC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000262320975 277567476 /nfs/dbraw/zinc/56/74/76/277567476.db2.gz QJSWQPWTZWSZTR-GHMZBOCLSA-N 1 0 303.189 2.071 10 0 DEAERO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262344336 277731958 /nfs/dbraw/zinc/73/19/58/277731958.db2.gz FWTJFLIPGJRRPH-PGUXBMHVSA-N 1 0 310.825 2.388 10 0 DEAERO CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000365644663 278120399 /nfs/dbraw/zinc/12/03/99/278120399.db2.gz XXRUXPANTWRUOR-HNNXBMFYSA-N 1 0 309.431 2.142 10 0 DEAERO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502408 278188616 /nfs/dbraw/zinc/18/86/16/278188616.db2.gz ZVWTZAJEGUOTQZ-HNNXBMFYSA-N 1 0 318.465 2.391 10 0 DEAERO C[C@H]1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)[C@H]1CO ZINC000408047902 278341715 /nfs/dbraw/zinc/34/17/15/278341715.db2.gz UAMSUQJKHNVEDH-MCMJNGCASA-N 1 0 320.477 2.164 10 0 DEAERO C[C@@H]1NC(=S)N(C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1=O ZINC000369676929 279029543 /nfs/dbraw/zinc/02/95/43/279029543.db2.gz BMPJEGMOMIDKBQ-DMDPSCGWSA-N 1 0 323.487 2.236 10 0 DEAERO CC(C)C[C@H](C)S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000246324152 279117376 /nfs/dbraw/zinc/11/73/76/279117376.db2.gz FXLNARXQJUMJAH-GJZGRUSLSA-N 1 0 302.484 2.311 10 0 DEAERO Cc1ncc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C(C)C)n1 ZINC000177143555 279150866 /nfs/dbraw/zinc/15/08/66/279150866.db2.gz BRUSBCFSVSGWTB-SWLSCSKDSA-N 1 0 304.438 2.367 10 0 DEAERO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261879759 279214673 /nfs/dbraw/zinc/21/46/73/279214673.db2.gz UNJDDYCWUJWGQG-VBQJREDUSA-N 1 0 315.461 2.412 10 0 DEAERO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114563972 279226027 /nfs/dbraw/zinc/22/60/27/279226027.db2.gz GMZJRYXFCJZVBJ-NUJGCVRESA-N 1 0 306.450 2.492 10 0 DEAERO ClC(Cl)(Cl)CC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000184579065 279290215 /nfs/dbraw/zinc/29/02/15/279290215.db2.gz CPCJADZUTPPQQG-SNVBAGLBSA-N 1 0 301.645 2.153 10 0 DEAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000133491691 279308618 /nfs/dbraw/zinc/30/86/18/279308618.db2.gz ULTAHWAQDVDHET-MGPQQGTHSA-N 1 0 304.438 2.066 10 0 DEAERO CCOC(C)(C)CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000187698152 279647430 /nfs/dbraw/zinc/64/74/30/279647430.db2.gz WXEAYSSTQGIEBN-MRXNPFEDSA-N 1 0 321.465 2.274 10 0 DEAERO CCOC(C)(C)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000187698132 279647496 /nfs/dbraw/zinc/64/74/96/279647496.db2.gz WXEAYSSTQGIEBN-INIZCTEOSA-N 1 0 321.465 2.274 10 0 DEAERO CC[C@@H](C(=O)N1CC2(CCOCC2)c2ccccc21)[NH+](C)C ZINC000189789171 280068190 /nfs/dbraw/zinc/06/81/90/280068190.db2.gz KXWUMYJMWJHZEM-HNNXBMFYSA-N 1 0 302.418 2.422 10 0 DEAERO Cc1c(C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)cnn1C ZINC000229809658 280226937 /nfs/dbraw/zinc/22/69/37/280226937.db2.gz WCBZASLEZDUVEA-CQSZACIVSA-N 1 0 308.426 2.218 10 0 DEAERO Cc1cc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2C)c(C)o1 ZINC000290692507 280288677 /nfs/dbraw/zinc/28/86/77/280288677.db2.gz HYNLLKDJDVRTCD-SMDDNHRTSA-N 1 0 315.421 2.365 10 0 DEAERO Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)COC(C)(C)C)C2)n1 ZINC000151111223 281246990 /nfs/dbraw/zinc/24/69/90/281246990.db2.gz XQUQOJNQFWHDFW-CVEARBPZSA-N 1 0 321.465 2.300 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)cc1 ZINC000173830528 288312611 /nfs/dbraw/zinc/31/26/11/288312611.db2.gz VPTUCRHYBXSBKM-LSDHHAIUSA-N 1 0 308.447 2.242 10 0 DEAERO CC1(C)C[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C(C)(C)O1 ZINC000183573364 281343147 /nfs/dbraw/zinc/34/31/47/281343147.db2.gz XLJGHAPCXBKERR-KGLIPLIRSA-N 1 0 309.454 2.212 10 0 DEAERO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(C)OCCCO1 ZINC000190665202 281349969 /nfs/dbraw/zinc/34/99/69/281349969.db2.gz PWLHJDGTBVZJBH-AWEZNQCLSA-N 1 0 306.406 2.455 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000262854515 288322340 /nfs/dbraw/zinc/32/23/40/288322340.db2.gz SSJCOGUNCWFBBO-SIXLDLHFSA-N 1 0 302.418 2.269 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)NCc1cscn1)c1cccc(F)c1 ZINC000051750051 281471735 /nfs/dbraw/zinc/47/17/35/281471735.db2.gz JVABBSJODXPTBJ-AWEZNQCLSA-N 1 0 322.409 2.384 10 0 DEAERO CCCNC(=O)CCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000104825674 281657530 /nfs/dbraw/zinc/65/75/30/281657530.db2.gz YDSPKBQNGVFUOF-INIZCTEOSA-N 1 0 319.449 2.102 10 0 DEAERO C[C@H](CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)[S@](C)=O ZINC000129384434 281910591 /nfs/dbraw/zinc/91/05/91/281910591.db2.gz AEPYPICSRUVAPJ-CFMSYZGJSA-N 1 0 317.838 2.358 10 0 DEAERO COc1ccccc1N1CC[C@@H]([NH2+]Cc2c(Cl)cnn2C)C1 ZINC000132109134 281980498 /nfs/dbraw/zinc/98/04/98/281980498.db2.gz AWGVNQNAQFXXLU-GFCCVEGCSA-N 1 0 320.824 2.451 10 0 DEAERO CC[C@](C)(CCO)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000153803353 288389180 /nfs/dbraw/zinc/38/91/80/288389180.db2.gz NMNJYGBKNRFROA-FUHWJXTLSA-N 1 0 321.465 2.010 10 0 DEAERO CO[C@@]1(C)C[C@H](NC(=O)N2CCC[N@@H+](C3CC3)CC2)C1(C)C ZINC000074943821 294161566 /nfs/dbraw/zinc/16/15/66/294161566.db2.gz SXRNRVGFCFCQLT-YOEHRIQHSA-N 1 0 309.454 2.070 10 0 DEAERO COc1c(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c(C)nn1C ZINC000092785731 294900167 /nfs/dbraw/zinc/90/01/67/294900167.db2.gz ASPVPRROZZMGND-OAHLLOKOSA-N 1 0 306.454 2.187 10 0 DEAERO COc1cc(F)c(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000237179578 294989110 /nfs/dbraw/zinc/98/91/10/294989110.db2.gz ZCMLPTAYNPFQND-ZDUSSCGKSA-N 1 0 312.385 2.288 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000262854509 297107495 /nfs/dbraw/zinc/10/74/95/297107495.db2.gz SSJCOGUNCWFBBO-BSWAZPDLSA-N 1 0 302.418 2.269 10 0 DEAERO C[C@H](C[NH2+][C@H]1CCCOc2ccc(F)cc21)N1CCOCC1 ZINC000123286804 298791639 /nfs/dbraw/zinc/79/16/39/298791639.db2.gz AGQHKVOQGLPAHM-CJNGLKHVSA-N 1 0 308.397 2.350 10 0 DEAERO C[C@H]1CN(CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CCO1 ZINC000191477747 300258775 /nfs/dbraw/zinc/25/87/75/300258775.db2.gz KAWCXMUBMRNNQT-GOEBONIOSA-N 1 0 318.417 2.273 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1Br ZINC000135561768 300314972 /nfs/dbraw/zinc/31/49/72/300314972.db2.gz XFTKYJIGORPUIJ-WDEREUQCSA-N 1 0 324.222 2.153 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000262765625 300326077 /nfs/dbraw/zinc/32/60/77/300326077.db2.gz KRVKJDNMSNXDNF-QPUJVOFHSA-N 1 0 323.245 2.270 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000229382386 301302489 /nfs/dbraw/zinc/30/24/89/301302489.db2.gz QXASMWQSBOJIEO-CYBMUJFWSA-N 1 0 302.415 2.094 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+]C[C@@H]1CSCCS1 ZINC000291953938 304865293 /nfs/dbraw/zinc/86/52/93/304865293.db2.gz OKWFSKMEDQTCMO-OAHLLOKOSA-N 1 0 320.487 2.265 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC(=O)c3cccn32)CC1 ZINC000572902992 325995793 /nfs/dbraw/zinc/99/57/93/325995793.db2.gz CQFVUOPNMZWLMJ-INIZCTEOSA-N 1 0 317.433 2.244 10 0 DEAERO C[C@](O)(C[NH2+]C1CCN(c2cnccn2)CC1)C1CCCCC1 ZINC000574959086 326204473 /nfs/dbraw/zinc/20/44/73/326204473.db2.gz QLRVPKNJSNQWOX-SFHVURJKSA-N 1 0 318.465 2.366 10 0 DEAERO CCOc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)n1 ZINC000577126306 326344669 /nfs/dbraw/zinc/34/46/69/326344669.db2.gz KRDFGDRBCJVCJS-WMLDXEAASA-N 1 0 320.433 2.138 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)NC[C@H]2CCCC[N@H+]2CC)no1 ZINC000577336548 326357713 /nfs/dbraw/zinc/35/77/13/326357713.db2.gz TUAYROYDRROJIY-GFCCVEGCSA-N 1 0 323.441 2.041 10 0 DEAERO COC[C@H](C)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000187670497 332981331 /nfs/dbraw/zinc/98/13/31/332981331.db2.gz RXIBOULAZZIBLQ-KFWWJZLASA-N 1 0 307.438 2.067 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000187664669 332981346 /nfs/dbraw/zinc/98/13/46/332981346.db2.gz MDQOTRBACSZSSZ-IRXDYDNUSA-N 1 0 305.466 2.069 10 0 DEAERO COC[C@H](C)C[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000187810118 332988469 /nfs/dbraw/zinc/98/84/69/332988469.db2.gz YKZUHQNXYVPUNL-OAHLLOKOSA-N 1 0 304.434 2.472 10 0 DEAERO COC[C@H](C)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000188182399 333037819 /nfs/dbraw/zinc/03/78/19/333037819.db2.gz SMIYKJPKLKPDAE-DJSGYFEHSA-N 1 0 310.825 2.484 10 0 DEAERO COc1cccc2c1CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC000580272745 333047878 /nfs/dbraw/zinc/04/78/78/333047878.db2.gz VYKFBKRDOITEIR-UHFFFAOYSA-N 1 0 304.434 2.354 10 0 DEAERO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1ccc2c(c1)OCO2 ZINC000182260468 333177242 /nfs/dbraw/zinc/17/72/42/333177242.db2.gz KIYOWUHSPOXPRG-SECBINFHSA-N 1 0 305.359 2.161 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000189977547 336257612 /nfs/dbraw/zinc/25/76/12/336257612.db2.gz CJQHZYBDPIDBQZ-FRRDWIJNSA-N 1 0 318.421 2.076 10 0 DEAERO C[N@H+]1C[C@H](C(O)(c2cccs2)c2cccs2)C[C@H](O)C1 ZINC000584631761 337377092 /nfs/dbraw/zinc/37/70/92/337377092.db2.gz UAQNWQBJYFDZLR-NEPJUHHUSA-N 1 0 309.456 2.358 10 0 DEAERO COc1ccc(O)cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000188664793 534207972 /nfs/dbraw/zinc/20/79/72/534207972.db2.gz ITKPNYRFDBJAKC-UHFFFAOYSA-N 1 0 318.417 2.491 10 0 DEAERO CC(C)C[C@H](C)N(C)C(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000108864804 519307426 /nfs/dbraw/zinc/30/74/26/519307426.db2.gz LPZSKHWJPSMIJF-INIZCTEOSA-N 1 0 309.498 2.440 10 0 DEAERO CC(C)CC1(CNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000157995621 519628897 /nfs/dbraw/zinc/62/88/97/519628897.db2.gz RNXIZMJRTGGIOH-UHFFFAOYSA-N 1 0 311.470 2.224 10 0 DEAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H](C)c2cnn(C)c2)C1 ZINC000246216224 519677488 /nfs/dbraw/zinc/67/74/88/519677488.db2.gz YANUQJPPGINKML-HUUCEWRRSA-N 1 0 321.469 2.243 10 0 DEAERO CC(C)Nc1ncccc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247273659 519742648 /nfs/dbraw/zinc/74/26/48/519742648.db2.gz KACQNKPWEAUPPE-UKRRQHHQSA-N 1 0 304.438 2.360 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)CNC(=O)c1cccs1 ZINC000237046481 520008789 /nfs/dbraw/zinc/00/87/89/520008789.db2.gz RHHWAGJISXFJRN-UHFFFAOYSA-N 1 0 317.414 2.226 10 0 DEAERO c1ccc(COCCCC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422841484 534490165 /nfs/dbraw/zinc/49/01/65/534490165.db2.gz VYJUMELBNBLQRT-RTBURBONSA-N 1 0 318.461 2.340 10 0 DEAERO CC1(C)CO[C@H](c2ccccc2)CN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000246553841 520512889 /nfs/dbraw/zinc/51/28/89/520512889.db2.gz UBERGZIYVNOQQY-OAGGEKHMSA-N 1 0 302.418 2.493 10 0 DEAERO CCC[C@@H](C(=O)N1CCO[C@H](c2cccc(O)c2)C1)[NH+](C)C ZINC000158250374 520582671 /nfs/dbraw/zinc/58/26/71/520582671.db2.gz QAVHOEVHWQFWQG-HOTGVXAUSA-N 1 0 306.406 2.022 10 0 DEAERO CCC[C@H](C)CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000107284051 521012371 /nfs/dbraw/zinc/01/23/71/521012371.db2.gz MTMNHTGYCVDWSH-DLBZAZTESA-N 1 0 309.498 2.441 10 0 DEAERO CCCN(C[C@@H]1CCCCO1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000106534037 521675659 /nfs/dbraw/zinc/67/56/59/521675659.db2.gz IXRBHYAHKBIZHR-RDJZCZTQSA-N 1 0 323.481 2.461 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](COC)c2ccco2)[C@H](C)C1 ZINC000246364978 521718556 /nfs/dbraw/zinc/71/85/56/521718556.db2.gz GWMWBLZDKVOIKE-KFWWJZLASA-N 1 0 323.437 2.339 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCCc2c[nH]c3ccccc23)C1 ZINC000107851677 522051874 /nfs/dbraw/zinc/05/18/74/522051874.db2.gz CWRASQFOFQUFON-OAHLLOKOSA-N 1 0 314.433 2.446 10 0 DEAERO COCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccncc2)n1 ZINC000070456273 522933897 /nfs/dbraw/zinc/93/38/97/522933897.db2.gz GLXWGMGCWSTVAD-CYBMUJFWSA-N 1 0 313.405 2.097 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)C[C@H](C)O ZINC000246115139 523483998 /nfs/dbraw/zinc/48/39/98/523483998.db2.gz HZYFPSVGQAGTBK-ZNMIVQPWSA-N 1 0 311.470 2.052 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C)c(F)c1 ZINC000111413458 523831109 /nfs/dbraw/zinc/83/11/09/523831109.db2.gz FNFXNVHQCCJKDW-HNNXBMFYSA-N 1 0 323.412 2.044 10 0 DEAERO CC(=O)N(C)c1ccccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000362815611 534746677 /nfs/dbraw/zinc/74/66/77/534746677.db2.gz VYWNLACTNYUMDA-UHFFFAOYSA-N 1 0 303.406 2.340 10 0 DEAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCC(=O)NCC(=O)OC)o1 ZINC000124855028 524053731 /nfs/dbraw/zinc/05/37/31/524053731.db2.gz HXYMWEOQTKFBKA-CQSZACIVSA-N 1 0 322.405 2.048 10 0 DEAERO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1 ZINC000249106404 524452406 /nfs/dbraw/zinc/45/24/06/524452406.db2.gz XDPNGICWRDXHHY-YYIAUSFCSA-N 1 0 307.434 2.277 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1nncs1 ZINC000157774151 524631452 /nfs/dbraw/zinc/63/14/52/524631452.db2.gz PVQVQAYBXBLLPS-AAEUAGOBSA-N 1 0 317.418 2.180 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2noc3c2CCCCC3)CC[N@@H+]1C ZINC000154338920 524785023 /nfs/dbraw/zinc/78/50/23/524785023.db2.gz JNIIXAPDBIPJRO-STQMWFEESA-N 1 0 305.422 2.498 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000249148875 524991560 /nfs/dbraw/zinc/99/15/60/524991560.db2.gz GVMSAQUFLBMQMC-JSGCOSHPSA-N 1 0 321.396 2.014 10 0 DEAERO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N3CCCC[C@@H]3C)C2)c1 ZINC000105923435 526265914 /nfs/dbraw/zinc/26/59/14/526265914.db2.gz YNXWEOWGXVBWIP-JKSUJKDBSA-N 1 0 304.438 2.229 10 0 DEAERO Cc1nnc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1C1CC1 ZINC000337311097 526336489 /nfs/dbraw/zinc/33/64/89/526336489.db2.gz UZEAIEFYGILLHO-BZUAXINKSA-N 1 0 304.438 2.437 10 0 DEAERO CC(=O)N(Cc1ccc(NC(=O)N[C@H](C)[C@H](C)[NH3+])cc1)C1CC1 ZINC000415196314 526498196 /nfs/dbraw/zinc/49/81/96/526498196.db2.gz RJPJUAMIWOFJBI-NWDGAFQWSA-N 1 0 318.421 2.055 10 0 DEAERO O=C(Nc1ccccc1NC(=O)N1CCCC1)C1CC[NH2+]CC1 ZINC000237938658 527427161 /nfs/dbraw/zinc/42/71/61/527427161.db2.gz RCDSTAAWVMWMPP-UHFFFAOYSA-N 1 0 316.405 2.252 10 0 DEAERO CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000294384139 527802837 /nfs/dbraw/zinc/80/28/37/527802837.db2.gz RNQDRNOERYQYAX-MSOLQXFVSA-N 1 0 318.461 2.435 10 0 DEAERO CCCCOc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(O)c1 ZINC000190286899 528660248 /nfs/dbraw/zinc/66/02/48/528660248.db2.gz PNCUOTVLFISXKM-CYBMUJFWSA-N 1 0 306.406 2.347 10 0 DEAERO CC(C)Cc1nsc(N2CC[N@H+](CC(C)(C)O)C[C@H]2C)n1 ZINC000302541969 528686029 /nfs/dbraw/zinc/68/60/29/528686029.db2.gz OCFLBRMWZARQCL-GFCCVEGCSA-N 1 0 312.483 2.018 10 0 DEAERO CCC(O)(CC)C[N@H+]1C[C@@H](c2cnn(C(C)C)c2)[C@H](CO)C1 ZINC000299741463 528965477 /nfs/dbraw/zinc/96/54/77/528965477.db2.gz FACCSVXYSRHYEB-HOTGVXAUSA-N 1 0 309.454 2.023 10 0 DEAERO CC(=O)c1ccccc1OCCN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348181142 534926294 /nfs/dbraw/zinc/92/62/94/534926294.db2.gz OTNXEMLSROLRJU-INIZCTEOSA-N 1 0 302.418 2.437 10 0 DEAERO CC(C)N(C)c1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cn1 ZINC000191183084 535025182 /nfs/dbraw/zinc/02/51/82/535025182.db2.gz JFNURGFWPHOHJA-UHFFFAOYSA-N 1 0 318.465 2.226 10 0 DEAERO CC(C)N1CCC[C@@H]([N@@H+]2CC[C@@H](CNc3ccccn3)C2)C1=O ZINC000248358601 535166509 /nfs/dbraw/zinc/16/65/09/535166509.db2.gz QYUYOEQUDYMLHW-JKSUJKDBSA-N 1 0 316.449 2.215 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSC[C@H]2CCCCO2)C1 ZINC000247342211 535256170 /nfs/dbraw/zinc/25/61/70/535256170.db2.gz NPOYFLMVGMHTNO-RBSFLKMASA-N 1 0 314.495 2.134 10 0 DEAERO CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)C2 ZINC000373569692 535382803 /nfs/dbraw/zinc/38/28/03/535382803.db2.gz TXNKZZIGABULPD-CQSZACIVSA-N 1 0 318.465 2.191 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cn(C)nc2C)C12CCOCC2 ZINC000249039260 535416127 /nfs/dbraw/zinc/41/61/27/535416127.db2.gz UTLRUBNYHOLKCU-DAXOMENPSA-N 1 0 307.438 2.353 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](CC)N2CCCC2)C12CCOCC2 ZINC000248921574 535505442 /nfs/dbraw/zinc/50/54/42/535505442.db2.gz FDZPCJXFDFZXEN-YESZJQIVSA-N 1 0 310.482 2.425 10 0 DEAERO CC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1cn(C)nc1C)c1ccco1 ZINC000451676580 535605227 /nfs/dbraw/zinc/60/52/27/535605227.db2.gz SSNMNEGJQCDPSS-IUODEOHRSA-N 1 0 318.421 2.110 10 0 DEAERO CCC[C@H]1C[N@H+](C[C@@H](O)CC2CCCC2)CCN1CCOC ZINC000249029437 535741927 /nfs/dbraw/zinc/74/19/27/535741927.db2.gz FCLFRYXIIUMALN-ROUUACIJSA-N 1 0 312.498 2.360 10 0 DEAERO C[NH+](C)CCCCNC(=O)C[C@H]1CSc2ccccc2O1 ZINC000449880437 535829638 /nfs/dbraw/zinc/82/96/38/535829638.db2.gz OIBVKIZGPYPIPX-ZDUSSCGKSA-N 1 0 308.447 2.388 10 0 DEAERO CCc1noc(C)c1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000454651517 535881868 /nfs/dbraw/zinc/88/18/68/535881868.db2.gz VKQKSPJHIIYJBS-QWHCGFSZSA-N 1 0 322.453 2.465 10 0 DEAERO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cccc3c2OCCC3)C1 ZINC000372316892 535963793 /nfs/dbraw/zinc/96/37/93/535963793.db2.gz 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323.437 2.152 10 0 DEAERO O=C(/C=C/c1ccncn1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000158903744 684306636 /nfs/dbraw/zinc/30/66/36/684306636.db2.gz YIFDDBMMAJGCEK-DKRLNXSXSA-N 1 0 309.369 2.308 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000187982396 684347269 /nfs/dbraw/zinc/34/72/69/684347269.db2.gz GJGYSLVFVPMXKL-MFKMUULPSA-N 1 0 315.797 2.017 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@@H]2CC[C@H](O)C2)C1 ZINC000188798131 684364128 /nfs/dbraw/zinc/36/41/28/684364128.db2.gz MABCVVFJMWFXAG-KFWWJZLASA-N 1 0 312.454 2.384 10 0 DEAERO CO[C@@H]1CN(Cn2nc3nc(C)cc(C)n3c2=S)CC[C@H]1C ZINC000190200569 684398110 /nfs/dbraw/zinc/39/81/10/684398110.db2.gz BTDIXYUNHRVAOL-ZWNOBZJWSA-N 1 0 321.450 2.191 10 0 DEAERO CCCC(=O)N[C@H]1CCC[N@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000190202434 684398254 /nfs/dbraw/zinc/39/82/54/684398254.db2.gz FEPGTSXCMQFCKQ-INIZCTEOSA-N 1 0 324.465 2.300 10 0 DEAERO CCC(=O)CCN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000190220300 684399068 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CC(=O)N1C[C@H]([NH2+]C2CC(OC(C)C)C2)CC[C@@H]1C(F)(F)F ZINC000886052230 691993468 /nfs/dbraw/zinc/99/34/68/691993468.db2.gz BBPCNONYXDKXAK-BLYZHGLHSA-N 1 0 322.371 2.474 10 0 DEAERO CO[C@@H]1C[N@H+](CC/C=C/c2ccccc2)C[C@H]1c1cn(C)nn1 ZINC000886071826 691997578 /nfs/dbraw/zinc/99/75/78/691997578.db2.gz AMFQSHUDZWYCSB-GACWPRQOSA-N 1 0 312.417 2.333 10 0 DEAERO C[C@H]1[C@@H](c2nnc(-c3cnc4c(c3)ncn4C)o2)CCC[N@@H+]1C ZINC000886084560 692000151 /nfs/dbraw/zinc/00/01/51/692000151.db2.gz JDCILZJYZNVRGG-JQWIXIFHSA-N 1 0 312.377 2.216 10 0 DEAERO CC[C@H]([NH2+][C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc2c(c1)CCO2 ZINC000886096766 692002500 /nfs/dbraw/zinc/00/25/00/692002500.db2.gz DUYXGKRYJRPROD-LISAXSMJSA-N 1 0 313.401 2.233 10 0 DEAERO CC(C)[C@@H](C[NH2+][C@H]1COCC1(C)C)ONC(=O)OC(C)(C)C ZINC000398903254 790296563 /nfs/dbraw/zinc/29/65/63/790296563.db2.gz MHGWYUYURAFAEE-OLZOCXBDSA-N 1 0 316.442 2.482 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000722593797 776536945 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CCO[C@@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724111797 777243193 /nfs/dbraw/zinc/24/31/93/777243193.db2.gz QMRBHXUTTKELPN-NXEZZACHSA-N 1 0 305.287 2.436 10 0 DEAERO O=C(/C=C\c1ccncn1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000588539061 777373523 /nfs/dbraw/zinc/37/35/23/777373523.db2.gz YIFDDBMMAJGCEK-JTGQJZMRSA-N 1 0 309.369 2.308 10 0 DEAERO COc1ccccc1C/C(C)=C\C(=O)N1CC[NH+]2CCC1CC2 ZINC000588562010 777417742 /nfs/dbraw/zinc/41/77/42/777417742.db2.gz AKZYYKHFFAGGMD-PFONDFGASA-N 1 0 314.429 2.491 10 0 DEAERO Cn1cnc(CC[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1 ZINC000404792360 777496520 /nfs/dbraw/zinc/49/65/20/777496520.db2.gz FTDXFMGKCMLMAW-KBPBESRZSA-N 1 0 322.453 2.244 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000722252261 778551241 /nfs/dbraw/zinc/55/12/41/778551241.db2.gz HFNQQFDPMHYLFQ-DDTOSNHZSA-N 1 0 313.239 2.022 10 0 DEAERO CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722500551 778742492 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CCN1CC[C@@H]1C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724115476 787350318 /nfs/dbraw/zinc/35/03/18/787350318.db2.gz FKSJYQXVFQZYPN-QLFBSQMISA-N 1 0 311.470 2.364 10 0 DEAERO c1ccc(CN2CCC([NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 ZINC000724627713 787352226 /nfs/dbraw/zinc/35/22/26/787352226.db2.gz JQIQOHZSTBSPNF-QRQLOZEOSA-N 1 0 316.445 2.045 10 0 DEAERO C[C@@H]1[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)CCN1Cc1ccccc1 ZINC000724630160 787352269 /nfs/dbraw/zinc/35/22/69/787352269.db2.gz WYVPKGAUBIKGIK-FTWQHDNSSA-N 1 0 316.445 2.043 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)CN1Cc1ccccc1 ZINC000724655209 787352500 /nfs/dbraw/zinc/35/25/00/787352500.db2.gz AOUYTEZTUWCIHR-FTWQHDNSSA-N 1 0 316.445 2.043 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CCN3CCCC[C@@H]23)C1 ZINC000397729192 790214001 /nfs/dbraw/zinc/21/40/01/790214001.db2.gz DNHLZIUXJKHCNR-GJZGRUSLSA-N 1 0 309.454 2.070 10 0 DEAERO C[C@@H](CCO)CC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000397768283 790217758 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CCNC(=O)[C@@H](C)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716729476 793003255 /nfs/dbraw/zinc/00/32/55/793003255.db2.gz CIAYLWNORGRUIJ-UBDQQSCGSA-N 1 0 315.461 2.154 10 0 DEAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1sccc1Br ZINC000716775297 793006605 /nfs/dbraw/zinc/00/66/05/793006605.db2.gz PQANVJKOEGYPRV-KKMMWDRVSA-N 1 0 303.225 2.425 10 0 DEAERO C[C@H](O)[C@@H](O)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000717337996 799381273 /nfs/dbraw/zinc/38/12/73/799381273.db2.gz AVQSVWMWVQKVKQ-KSSFIOAISA-N 1 0 301.386 2.097 10 0 DEAERO CC1(C)CO[C@H](CC[NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC000717386771 799393886 /nfs/dbraw/zinc/39/38/86/799393886.db2.gz ICSIWQWCGOYGFO-IAGOWNOFSA-N 1 0 307.434 2.359 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CC2(CO)CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000717648448 799427478 /nfs/dbraw/zinc/42/74/78/799427478.db2.gz GYYMAAAWYYIVFI-UONOGXRCSA-N 1 0 312.454 2.384 10 0 DEAERO O=S(=O)(N[C@H]1CC[NH2+]C12CCCC2)c1cccc(Cl)c1 ZINC000401415651 801826379 /nfs/dbraw/zinc/82/63/79/801826379.db2.gz KKBHHGLIVMRBMZ-ZDUSSCGKSA-N 1 0 314.838 2.293 10 0 DEAERO Cc1c(C[NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000401717217 801844698 /nfs/dbraw/zinc/84/46/98/801844698.db2.gz YTOAYCSSIFFGPI-SWLSCSKDSA-N 1 0 322.453 2.464 10 0 DEAERO C[C@H](O)CCC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401709537 801844867 /nfs/dbraw/zinc/84/48/67/801844867.db2.gz CZUPGICBDVSXCK-HZSPNIEDSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCc2cn[nH]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401802803 801852228 /nfs/dbraw/zinc/85/22/28/801852228.db2.gz OKFYERVQZFIYSZ-GXTWGEPZSA-N 1 0 308.426 2.187 10 0 DEAERO CC(C)=CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404199736 802007462 /nfs/dbraw/zinc/00/74/62/802007462.db2.gz HQNAEJVZBCKBRF-ROUUACIJSA-N 1 0 314.429 2.455 10 0 DEAERO Cn1ccnc1C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000404629087 802026658 /nfs/dbraw/zinc/02/66/58/802026658.db2.gz FDXJLZWUWXYEHK-CHWSQXEVSA-N 1 0 320.437 2.346 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC(C)(C)CO)C12CCC2 ZINC000404736896 802028297 /nfs/dbraw/zinc/02/82/97/802028297.db2.gz FVJRDJFDPQBXSI-QWHCGFSZSA-N 1 0 312.454 2.430 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCc2cn[nH]c2)C12CCC2 ZINC000405332869 802052697 /nfs/dbraw/zinc/05/26/97/802052697.db2.gz FBTNJENZMIITOZ-ZIAGYGMSSA-N 1 0 320.437 2.378 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCc2cn[nH]c2)C12CCC2 ZINC000405332867 802053115 /nfs/dbraw/zinc/05/31/15/802053115.db2.gz FBTNJENZMIITOZ-KGLIPLIRSA-N 1 0 320.437 2.378 10 0 DEAERO C[C@@H]1OC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)[C@@H]1C ZINC000405565026 802072321 /nfs/dbraw/zinc/07/23/21/802072321.db2.gz VBDYLLQEPHKUMY-NEPXVJNWSA-N 1 0 318.461 2.291 10 0 DEAERO CC(=O)N1CCC([NH2+]CCCn2c(C)nc3ccccc32)CC1 ZINC000072726554 1080160950 /nfs/dbraw/zinc/16/09/50/1080160950.db2.gz DZOYBNQUOIOUOY-UHFFFAOYSA-N 1 0 314.433 2.335 10 0 DEAERO CC(=O)N1CCC([NH2+]CCCN2CCc3ccccc3C2)CC1 ZINC000078542616 1080638582 /nfs/dbraw/zinc/63/85/82/1080638582.db2.gz URHXXJJWYAAQBH-UHFFFAOYSA-N 1 0 315.461 2.035 10 0 DEAERO O=C(N[C@]12CCC[C@H]1C[NH2+]C2)c1cc(F)c(F)cc1Cl ZINC000711310516 1081257258 /nfs/dbraw/zinc/25/72/58/1081257258.db2.gz FZTJRKYNUWAVIN-RTHLEPHNSA-N 1 0 300.736 2.490 10 0 DEAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)CCC(C)(C)C2CC2)C1 ZINC000717984016 1081855925 /nfs/dbraw/zinc/85/59/25/1081855925.db2.gz QKTGAFRUDQLFIU-CYBMUJFWSA-N 1 0 302.484 2.074 10 0 DEAERO CC(C)(CCS(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000718023711 1081865186 /nfs/dbraw/zinc/86/51/86/1081865186.db2.gz POJXREYLPCEYLM-UKRRQHHQSA-N 1 0 300.468 2.017 10 0 DEAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000088725076 1081867637 /nfs/dbraw/zinc/86/76/37/1081867637.db2.gz CSIANPNWAFWIKR-NEWSRXKRSA-N 1 0 318.461 2.292 10 0 DEAERO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Cl)ccc1C ZINC000720835413 1086188442 /nfs/dbraw/zinc/18/84/42/1086188442.db2.gz ONMZKAWAWGVUNE-UHFFFAOYSA-N 1 0 304.843 2.267 10 0 DEAERO O=C(/C=C/c1ccc(Br)o1)N[C@@H]1CCC[NH2+]CC1 ZINC000700608773 1086321954 /nfs/dbraw/zinc/32/19/54/1086321954.db2.gz NBCGBQIZQBGLHP-DFVUYQKZSA-N 1 0 313.195 2.314 10 0 DEAERO CC[C@H]1COC[C@H]1[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701867356 1086388828 /nfs/dbraw/zinc/38/88/28/1086388828.db2.gz LMLWJYKZVNPGEV-YRTQGLMCSA-N 1 0 310.438 2.401 10 0 DEAERO C[C@H]1COCC[C@@H]1[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701932723 1086395325 /nfs/dbraw/zinc/39/53/25/1086395325.db2.gz XHHFASBPZCNSIJ-PEUXKQIOSA-N 1 0 310.438 2.401 10 0 DEAERO O=C(c1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000702240751 1086416127 /nfs/dbraw/zinc/41/61/27/1086416127.db2.gz YGCAMQWLJHNAAT-CYBMUJFWSA-N 1 0 309.207 2.369 10 0 DEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ncccc1Br)C2 ZINC000702447235 1086435595 /nfs/dbraw/zinc/43/55/95/1086435595.db2.gz JITPHQKSYPOJBX-OKILXGFUSA-N 1 0 310.239 2.276 10 0 DEAERO [NH3+][C@@H]1CN(Cc2ccncc2Br)C[C@H]1C(F)(F)F ZINC000720888007 1086512973 /nfs/dbraw/zinc/51/29/73/1086512973.db2.gz VZAZHOLUDJNBLI-PSASIEDQSA-N 1 0 324.144 2.166 10 0 DEAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1nc(Cl)ccc1Cl)C2 ZINC000703582851 1086523082 /nfs/dbraw/zinc/52/30/82/1086523082.db2.gz VGLLYTZJWYTPMH-ISVAXAHUSA-N 1 0 300.189 2.070 10 0 DEAERO CC[C@@H]1[C@@H]([NH2+]Cc2nccn2C)CCN1C(=O)OC(C)(C)C ZINC000704632808 1086585916 /nfs/dbraw/zinc/58/59/16/1086585916.db2.gz ZNYQLEDTKYAOFO-QWHCGFSZSA-N 1 0 308.426 2.298 10 0 DEAERO CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccccn2)CCOCC1 ZINC000705626003 1086619417 /nfs/dbraw/zinc/61/94/17/1086619417.db2.gz ZWKXXDCDYRCWBF-UHFFFAOYSA-N 1 0 321.421 2.245 10 0 DEAERO CN(CCOCC[NH2+]Cc1cccc(O)c1)C(=O)OC(C)(C)C ZINC000705928848 1086626784 /nfs/dbraw/zinc/62/67/84/1086626784.db2.gz UYIKOAQWVCIUGO-UHFFFAOYSA-N 1 0 324.421 2.365 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)CCO1 ZINC000705913870 1086628833 /nfs/dbraw/zinc/62/88/33/1086628833.db2.gz GZKZMEVMBYCBTJ-KGLIPLIRSA-N 1 0 316.442 2.027 10 0 DEAERO CS(=O)(=O)CC[NH2+][C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000709636161 1086684546 /nfs/dbraw/zinc/68/45/46/1086684546.db2.gz LBFIQSZUNBJUPR-KRWDZBQOSA-N 1 0 324.490 2.065 10 0 DEAERO CN(CCCCCC[NH3+])C(=O)c1ncccc1Br ZINC000710750885 1086689667 /nfs/dbraw/zinc/68/96/67/1086689667.db2.gz OVZDXVOFDFEPNJ-UHFFFAOYSA-N 1 0 314.227 2.435 10 0 DEAERO Cc1nnsc1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711478191 1087120684 /nfs/dbraw/zinc/12/06/84/1087120684.db2.gz VZPIMKAMBWWTPH-PHIMTYICSA-N 1 0 312.439 2.239 10 0 DEAERO Cn1nccc1C[NH2+][C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711620658 1087176329 /nfs/dbraw/zinc/17/63/29/1087176329.db2.gz GCCWELJBAYPNNS-PBHICJAKSA-N 1 0 320.437 2.442 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)sc1Cl ZINC000711622337 1087177336 /nfs/dbraw/zinc/17/73/36/1087177336.db2.gz JANKZIWKBKQUSZ-SKDRFNHKSA-N 1 0 320.867 2.273 10 0 DEAERO Cn1cc(C[NH2+][C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cn1 ZINC000711637534 1087179219 /nfs/dbraw/zinc/17/92/19/1087179219.db2.gz ADXORLGWLCBGCV-RHSMWYFYSA-N 1 0 320.437 2.442 10 0 DEAERO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cccc(Br)c1 ZINC000711655435 1087189030 /nfs/dbraw/zinc/18/90/30/1087189030.db2.gz SLOQEPVUIIZPEI-TZMCWYRMSA-N 1 0 309.207 2.464 10 0 DEAERO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccccc1Br ZINC000711655863 1087189090 /nfs/dbraw/zinc/18/90/90/1087189090.db2.gz UAVNKSPCABETSV-GXTWGEPZSA-N 1 0 309.207 2.464 10 0 DEAERO Cn1ccc(C[NH2+][C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)n1 ZINC000711706002 1087192945 /nfs/dbraw/zinc/19/29/45/1087192945.db2.gz JWZBYVMYOUEJEL-RHSMWYFYSA-N 1 0 320.437 2.442 10 0 DEAERO COc1ncc(C[NH2+]CCOC(F)(F)C(F)(F)F)s1 ZINC000720340186 1088251951 /nfs/dbraw/zinc/25/19/51/1088251951.db2.gz JAGQQRKLDBYKAI-UHFFFAOYSA-N 1 0 306.256 2.413 10 0 DEAERO Cc1nc(CN2CC[NH2+][C@@H](C)[C@H]2C)sc1Br ZINC000719274387 1088918761 /nfs/dbraw/zinc/91/87/61/1088918761.db2.gz WIQBMXHUMJIZGO-IONNQARKSA-N 1 0 304.257 2.396 10 0 DEAERO CO[C@]1(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)CCSC1 ZINC000719326675 1088955935 /nfs/dbraw/zinc/95/59/35/1088955935.db2.gz SNXMYYHFZHNETM-KGLIPLIRSA-N 1 0 303.374 2.110 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CCN1C ZINC000719579517 1089311933 /nfs/dbraw/zinc/31/19/33/1089311933.db2.gz HUBFEMCFJNEAOJ-TUVASFSCSA-N 1 0 311.470 2.362 10 0 DEAERO C[NH2+]CCCCC(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000719669644 1092421481 /nfs/dbraw/zinc/42/14/81/1092421481.db2.gz YNFYFWHXNRLKBZ-MRXNPFEDSA-N 1 0 303.450 2.109 10 0 DEAERO COCC(C)(C)C[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000700601950 1144697504 /nfs/dbraw/zinc/69/75/04/1144697504.db2.gz YUGMKOXMULBOHX-UHFFFAOYSA-N 1 0 318.458 2.132 10 0 DEAERO C[NH2+][C@H](CSCCC(=O)OC)c1ccc2c(c1)OCCO2 ZINC000081791375 192323615 /nfs/dbraw/zinc/32/36/15/192323615.db2.gz IVSMHSCEQAFTKF-GFCCVEGCSA-N 1 0 311.403 2.015 10 0 DEAERO [NH3+][C@@H](CSc1nncs1)c1ccc2c(c1)OCCCO2 ZINC000081869379 192333536 /nfs/dbraw/zinc/33/35/36/192333536.db2.gz OVROMWBSXWMUCK-JTQLQIEISA-N 1 0 309.416 2.492 10 0 DEAERO [NH3+][C@@H](CSc1cnccn1)c1ccc2c(c1)OCCCO2 ZINC000081885469 192334064 /nfs/dbraw/zinc/33/40/64/192334064.db2.gz HMWUZOVHYZFLFW-LBPRGKRZSA-N 1 0 303.387 2.430 10 0 DEAERO CC[C@@H](Sc1n[nH]c(=O)n1CC)[C@H]([NH2+]C)c1ccccc1 ZINC000081879678 192334608 /nfs/dbraw/zinc/33/46/08/192334608.db2.gz UFANOSICPOHVRG-CHWSQXEVSA-N 1 0 306.435 2.423 10 0 DEAERO Clc1cnc(N2CC[C@H]3C[NH2+]C[C@H]32)c(Br)c1 ZINC000162811911 197594132 /nfs/dbraw/zinc/59/41/32/197594132.db2.gz SNALFKNKBOBVNS-OIBJUYFYSA-N 1 0 302.603 2.296 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)ccc1N(C)CC(C)(C)O ZINC000162863146 197597674 /nfs/dbraw/zinc/59/76/74/197597674.db2.gz XJEMKFHDUICYPZ-UHFFFAOYSA-N 1 0 300.830 2.283 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000116793721 282127275 /nfs/dbraw/zinc/12/72/75/282127275.db2.gz ABWLLNUNJMGAOR-LLVKDONJSA-N 1 0 316.323 2.108 10 0 DEAERO NC(=[NH2+])c1cccc(S(=O)(=O)CCSC2CCCC2)c1 ZINC000163317745 197623896 /nfs/dbraw/zinc/62/38/96/197623896.db2.gz DQJJEAPCCYEWPZ-UHFFFAOYSA-N 1 0 312.460 2.420 10 0 DEAERO Cc1ccc(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)cc1 ZINC000096780252 185387296 /nfs/dbraw/zinc/38/72/96/185387296.db2.gz GNABVAWQOGFGRV-UHFFFAOYSA-N 1 0 310.401 2.394 10 0 DEAERO C[NH2+][C@@H](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000081933952 192341083 /nfs/dbraw/zinc/34/10/83/192341083.db2.gz UAFSJGXKZWNXNV-VIFPVBQESA-N 1 0 306.225 2.221 10 0 DEAERO Cc1nccn1CC[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000077121648 185110298 /nfs/dbraw/zinc/11/02/98/185110298.db2.gz PVNIJCLBNQISNO-UHFFFAOYSA-N 1 0 302.397 2.148 10 0 DEAERO [NH3+][C@H]1C[C@@H]1Nc1ncc(Br)cc1Br ZINC000164021659 197651716 /nfs/dbraw/zinc/65/17/16/197651716.db2.gz LFDKFKCDLAUMNI-BQBZGAKWSA-N 1 0 306.989 2.118 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000164508548 197654692 /nfs/dbraw/zinc/65/46/92/197654692.db2.gz YHUBSJSIDQAYEB-DTWKUNHWSA-N 1 0 300.200 2.236 10 0 DEAERO CN(CCC[NH+](C)C)Cc1ccc(N)c(Br)c1 ZINC000078899008 185125375 /nfs/dbraw/zinc/12/53/75/185125375.db2.gz HWQPWZPJBIBRCF-UHFFFAOYSA-N 1 0 300.244 2.415 10 0 DEAERO CCOC1([C@H]([NH3+])[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCCC1 ZINC000164684362 197662116 /nfs/dbraw/zinc/66/21/16/197662116.db2.gz DIBLRYHJGGEMOS-HZSPNIEDSA-N 1 0 303.468 2.266 10 0 DEAERO CC[C@H]1CN(CCOc2cccc(OC)c2)CC[N@@H+]1CCOC ZINC000152612490 282149568 /nfs/dbraw/zinc/14/95/68/282149568.db2.gz LORSJXZWWFSYJN-INIZCTEOSA-N 1 0 322.449 2.117 10 0 DEAERO CCN(CCCO)[C@H](C[NH3+])c1ccccc1Br ZINC000165068839 197669539 /nfs/dbraw/zinc/66/95/39/197669539.db2.gz IXNMZBJDLPVSKG-CYBMUJFWSA-N 1 0 301.228 2.153 10 0 DEAERO C[C@@H]([NH3+])C[C@H](C)S(=O)(=O)c1ccccc1Br ZINC000082798462 185205173 /nfs/dbraw/zinc/20/51/73/185205173.db2.gz OTTQLNAXKZSDGK-BDAKNGLRSA-N 1 0 306.225 2.349 10 0 DEAERO [NH3+][C@H]1CC[C@H](S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000082820016 185208406 /nfs/dbraw/zinc/20/84/06/185208406.db2.gz ODRLMJGWHVIEKH-ONGXEEELSA-N 1 0 304.209 2.103 10 0 DEAERO C[C@@]([NH3+])(CO)CCCSc1ncccc1Br ZINC000082905372 185209496 /nfs/dbraw/zinc/20/94/96/185209496.db2.gz ZOOTYOFZGDWCDN-NSHDSACASA-N 1 0 305.241 2.426 10 0 DEAERO CCC1CCC(NC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000083186311 185217320 /nfs/dbraw/zinc/21/73/20/185217320.db2.gz ODVPGWQBSOCLOQ-UHFFFAOYSA-N 1 0 323.481 2.461 10 0 DEAERO COCc1ccc(C[N@H+](CC2CC2)C[C@H]2CN(C)CCO2)cc1 ZINC000328656739 231292706 /nfs/dbraw/zinc/29/27/06/231292706.db2.gz ZQJAGQPFOHOYME-LJQANCHMSA-N 1 0 318.461 2.376 10 0 DEAERO C[C@H](CCCO)N[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000087359076 185222588 /nfs/dbraw/zinc/22/25/88/185222588.db2.gz QHXZNZJRJOIJFA-BDAKNGLRSA-N 1 0 307.257 2.261 10 0 DEAERO [NH3+]C[C@H](c1ccccc1Br)[C@H](O)[C@@H]1CCCOC1 ZINC000087381618 185223121 /nfs/dbraw/zinc/22/31/21/185223121.db2.gz FILNBJCOXACQLU-MPKXVKKWSA-N 1 0 314.223 2.279 10 0 DEAERO CCC[C@H](C[NH3+])NC(=O)c1ccc(Br)c(F)c1 ZINC000087386921 185223274 /nfs/dbraw/zinc/22/32/74/185223274.db2.gz CWXAAFXNPGJDRR-SECBINFHSA-N 1 0 303.175 2.445 10 0 DEAERO CC[C@H](C[NH3+])C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000087524377 185227698 /nfs/dbraw/zinc/22/76/98/185227698.db2.gz MZDORMVPZOUWFR-LLVKDONJSA-N 1 0 315.870 2.031 10 0 DEAERO NC(=S)C[NH+]1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000087760055 185231581 /nfs/dbraw/zinc/23/15/81/185231581.db2.gz QFZGVKATGLDHQW-UHFFFAOYSA-N 1 0 318.273 2.397 10 0 DEAERO COc1cccc(Nc2nc(NN)[nH+]cc2Br)c1 ZINC000087897004 185235744 /nfs/dbraw/zinc/23/57/44/185235744.db2.gz ZPIAICPQQDLTBU-UHFFFAOYSA-N 1 0 310.155 2.277 10 0 DEAERO Ic1cnn([C@@H]2CC[C@@H]2C[NH2+]C2CC2)c1 ZINC000087923951 185237569 /nfs/dbraw/zinc/23/75/69/185237569.db2.gz BJHJUKMRJXPKHU-LDYMZIIASA-N 1 0 317.174 2.191 10 0 DEAERO CCOCCN(C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000087975876 185237792 /nfs/dbraw/zinc/23/77/92/185237792.db2.gz HLMHPKYUXLRYLS-JTQLQIEISA-N 1 0 307.257 2.479 10 0 DEAERO C[C@@H](C[NH3+])CC(=O)N(C)Cc1csc(Br)c1 ZINC000087985764 185238095 /nfs/dbraw/zinc/23/80/95/185238095.db2.gz DBABZUKAZRSFND-MRVPVSSYSA-N 1 0 305.241 2.454 10 0 DEAERO CCO[C@@H](CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C(C)C ZINC000174324482 282192715 /nfs/dbraw/zinc/19/27/15/282192715.db2.gz FREGVLPPANEOQL-HOTGVXAUSA-N 1 0 309.454 2.093 10 0 DEAERO COc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1C(N)=S ZINC000087832511 185232410 /nfs/dbraw/zinc/23/24/10/185232410.db2.gz SZBHBYCUVPLGGV-ZDUSSCGKSA-N 1 0 308.447 2.330 10 0 DEAERO CCCN(CC[NH+](C)C)Cc1ccc(OC)c(C(N)=S)c1 ZINC000087832604 185232820 /nfs/dbraw/zinc/23/28/20/185232820.db2.gz BWGUOEIBZOFQKQ-UHFFFAOYSA-N 1 0 309.479 2.103 10 0 DEAERO CC(C)[C@H](CNC(=O)c1ccc2nc(N)sc2c1)[NH+](C)C ZINC000087847448 185233406 /nfs/dbraw/zinc/23/34/06/185233406.db2.gz FIGRCHZMSJZNGE-LBPRGKRZSA-N 1 0 306.435 2.195 10 0 DEAERO CN(Cc1cc(Br)cs1)c1cc[nH+]c(NN)n1 ZINC000087866261 185233891 /nfs/dbraw/zinc/23/38/91/185233891.db2.gz YAZRDEMPDJCCNP-UHFFFAOYSA-N 1 0 314.212 2.223 10 0 DEAERO CN(Cc1ccc(Br)cc1)c1cc[nH+]c(NN)n1 ZINC000087864152 185233963 /nfs/dbraw/zinc/23/39/63/185233963.db2.gz HGAJKWDSQPLOPI-UHFFFAOYSA-N 1 0 308.183 2.161 10 0 DEAERO CC[NH2+][C@H]1CCCc2c(O[C@H]3CCS(=O)(=O)C3)cccc21 ZINC000088152019 185240599 /nfs/dbraw/zinc/24/05/99/185240599.db2.gz NGGTVZBWEZXEDO-WFASDCNBSA-N 1 0 309.431 2.239 10 0 DEAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328919430 231386842 /nfs/dbraw/zinc/38/68/42/231386842.db2.gz SLTWYJZKKOXZHY-DMVWFOPNSA-N 1 0 307.438 2.263 10 0 DEAERO CCS(=O)(=O)CCC[C@H](C[NH2+]CCOC)c1ccccc1 ZINC000088099561 185239692 /nfs/dbraw/zinc/23/96/92/185239692.db2.gz SBFVCQBCXHZAEG-MRXNPFEDSA-N 1 0 313.463 2.221 10 0 DEAERO COc1ccc(-n2nnc([C@H](C)[NH3+])c2C)cc1Br ZINC000088321114 185245396 /nfs/dbraw/zinc/24/53/96/185245396.db2.gz GSSWCYGCAMFLLS-ZETCQYMHSA-N 1 0 311.183 2.367 10 0 DEAERO CN(CCC(F)(F)F)C[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000088418221 185249185 /nfs/dbraw/zinc/24/91/85/185249185.db2.gz AUDQKBLOYWPTSP-NSHDSACASA-N 1 0 304.312 2.342 10 0 DEAERO CCOC(=O)[C@@](C)(N)CCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000088435554 185250505 /nfs/dbraw/zinc/25/05/05/185250505.db2.gz XEHAGUKBVMNNPX-ZDUSSCGKSA-N 1 0 310.360 2.321 10 0 DEAERO CN[C@](C)(C[C@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000088435531 185250574 /nfs/dbraw/zinc/25/05/74/185250574.db2.gz YUYXQXOFVMFROW-GXFFZTMASA-N 1 0 310.360 2.190 10 0 DEAERO CC(C)C[C@H](C[NH3+])CC(=O)Nc1cnc(Br)cn1 ZINC000088446429 185251254 /nfs/dbraw/zinc/25/12/54/185251254.db2.gz QRMMCGOMHWNWBL-VIFPVBQESA-N 1 0 315.215 2.189 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)CC)o1 ZINC000088551583 185257308 /nfs/dbraw/zinc/25/73/08/185257308.db2.gz LUXKMLPYWMSVCA-VXGBXAGGSA-N 1 0 302.440 2.492 10 0 DEAERO C[C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000088516369 185254522 /nfs/dbraw/zinc/25/45/22/185254522.db2.gz FGTCOOCMZSXUEB-WCQYABFASA-N 1 0 316.492 2.496 10 0 DEAERO C[NH2+][C@H](Cc1nc2ccccc2s1)C(C)(C)S(C)(=O)=O ZINC000088518734 185254684 /nfs/dbraw/zinc/25/46/84/185254684.db2.gz AIMPVAFYCLFJHV-GFCCVEGCSA-N 1 0 312.460 2.250 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)o1 ZINC000088543345 185256036 /nfs/dbraw/zinc/25/60/36/185256036.db2.gz FDKDRPFSJWPZMK-RYUDHWBXSA-N 1 0 300.424 2.056 10 0 DEAERO CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088543219 185256089 /nfs/dbraw/zinc/25/60/89/185256089.db2.gz ZDMOVBJGTAUISI-YPMHNXCESA-N 1 0 300.424 2.246 10 0 DEAERO CC[C@@H]1CCCN1S(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088543308 185256317 /nfs/dbraw/zinc/25/63/17/185256317.db2.gz NEMCUVSTTNNXMS-GFCCVEGCSA-N 1 0 300.424 2.341 10 0 DEAERO CC[C@H](C)[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088542941 185256389 /nfs/dbraw/zinc/25/63/89/185256389.db2.gz AJTHHDFXRQWKJC-NWDGAFQWSA-N 1 0 302.440 2.491 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)CCCOC)c1c(C)cc(C)cc1C ZINC000081986119 192349102 /nfs/dbraw/zinc/34/91/02/192349102.db2.gz IBNMRZXGVCLMEQ-OAHLLOKOSA-N 1 0 313.463 2.324 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C)o2)CC1 ZINC000088551287 185257562 /nfs/dbraw/zinc/25/75/62/185257562.db2.gz SIVHXJSUCUPBNI-GFCCVEGCSA-N 1 0 300.424 2.200 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)C(CC)CC)o1 ZINC000088551037 185257665 /nfs/dbraw/zinc/25/76/65/185257665.db2.gz DNFHXTIMYZALBX-NSHDSACASA-N 1 0 302.440 2.492 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCOC3(CCCC3)C2)C1 ZINC000341419586 282206963 /nfs/dbraw/zinc/20/69/63/282206963.db2.gz HLMMERAKVZOMRO-QLFBSQMISA-N 1 0 309.454 2.260 10 0 DEAERO C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)C1 ZINC000088704764 185262631 /nfs/dbraw/zinc/26/26/31/185262631.db2.gz NVFOBKMUDIOJJC-QWRGUYRKSA-N 1 0 300.399 2.094 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000088715637 185263060 /nfs/dbraw/zinc/26/30/60/185263060.db2.gz SCCNABDWRAEBOW-HUUCEWRRSA-N 1 0 308.447 2.148 10 0 DEAERO Cc1ccccc1S(=O)(=O)N[C@@H]1CCC[C@H]1n1ccnc1 ZINC000088717672 185263187 /nfs/dbraw/zinc/26/31/87/185263187.db2.gz TVPMQRBBFRPBHN-ZIAGYGMSSA-N 1 0 305.403 2.264 10 0 DEAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N[C@@H]1CCOC1 ZINC000179147619 282215962 /nfs/dbraw/zinc/21/59/62/282215962.db2.gz XSBQIWFSQRIXKK-SJORKVTESA-N 1 0 317.433 2.129 10 0 DEAERO CCC[NH2+][C@@H]1CCCCC[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081990252 192351020 /nfs/dbraw/zinc/35/10/20/192351020.db2.gz YQRZSKFKFIXWQW-HUUCEWRRSA-N 1 0 303.468 2.281 10 0 DEAERO COc1ccccc1S(=O)(=O)[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000081987371 192351236 /nfs/dbraw/zinc/35/12/36/192351236.db2.gz XMSRLBLRZPUYLS-CVEARBPZSA-N 1 0 303.383 2.094 10 0 DEAERO C[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1ccccc1Cl ZINC000090116848 185283066 /nfs/dbraw/zinc/28/30/66/185283066.db2.gz SNVIGDQQDZNVEI-NSHDSACASA-N 1 0 311.813 2.240 10 0 DEAERO CN1C(=O)CC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1=O ZINC000090024702 185278545 /nfs/dbraw/zinc/27/85/45/185278545.db2.gz NSYPVVIPBILBEA-NEPJUHHUSA-N 1 0 308.378 2.100 10 0 DEAERO COCC[NH2+]CCC[S@](=O)c1cccc(Br)c1 ZINC000082011758 192353186 /nfs/dbraw/zinc/35/31/86/192353186.db2.gz CYCLGBPDRGYLKZ-QGZVFWFLSA-N 1 0 320.252 2.183 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000090312237 185290392 /nfs/dbraw/zinc/29/03/92/185290392.db2.gz DDRIAMNTPBOLGB-UTUOFQBUSA-N 1 0 303.189 2.228 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000090311993 185290498 /nfs/dbraw/zinc/29/04/98/185290498.db2.gz NCJNOXXPIZCUKV-FOGDFJRCSA-N 1 0 303.189 2.228 10 0 DEAERO O=C(c1ccc(F)c(C(F)(F)F)c1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320669 185290987 /nfs/dbraw/zinc/29/09/87/185290987.db2.gz CVIZVRIMGYGZKP-NXEZZACHSA-N 1 0 302.271 2.136 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1 ZINC000090332837 185291499 /nfs/dbraw/zinc/29/14/99/185291499.db2.gz RMAIFPBPYNUMBX-BYCMXARLSA-N 1 0 307.825 2.208 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1Cc1noc(-c2ccsc2)n1 ZINC000090337833 185291863 /nfs/dbraw/zinc/29/18/63/185291863.db2.gz ZIDNUZIFMNRZCS-RYUDHWBXSA-N 1 0 304.419 2.228 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](C)Cc1ccccc1Cl ZINC000090489116 185298876 /nfs/dbraw/zinc/29/88/76/185298876.db2.gz KVHYJOCCBQULSV-NJZAAPMLSA-N 1 0 310.825 2.012 10 0 DEAERO Cc1nc(-c2cccc(NC(=O)[C@H]3COC[C@@H]3[NH3+])c2)cs1 ZINC000090380491 185293586 /nfs/dbraw/zinc/29/35/86/185293586.db2.gz IUUZJELFJBDGMK-STQMWFEESA-N 1 0 303.387 2.031 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000090434502 185296077 /nfs/dbraw/zinc/29/60/77/185296077.db2.gz BDNIFCNOJVDLAZ-PWSUYJOCSA-N 1 0 317.216 2.186 10 0 DEAERO C[C@]1(C(=O)Nc2cc(Cl)cc3cccnc32)COC[C@H]1[NH3+] ZINC000090585366 185305289 /nfs/dbraw/zinc/30/52/89/185305289.db2.gz BIBSTIDOIDKIJV-DOMZBBRYSA-N 1 0 305.765 2.191 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(-c3nccs3)cc2)COC[C@H]1[NH3+] ZINC000090589679 185305486 /nfs/dbraw/zinc/30/54/86/185305486.db2.gz LMBFDXQGFXLJSV-IUODEOHRSA-N 1 0 303.387 2.112 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(F)cc1Cl ZINC000090539702 185301512 /nfs/dbraw/zinc/30/15/12/185301512.db2.gz DHPCGWRSMUFTPK-MFKMUULPSA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000090538534 185301530 /nfs/dbraw/zinc/30/15/30/185301530.db2.gz YJRRRBVOHCUAPZ-WCQYABFASA-N 1 0 312.797 2.302 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000090541153 185301783 /nfs/dbraw/zinc/30/17/83/185301783.db2.gz SPLNQZQLHNBNBH-MFKMUULPSA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(OC)ccc1Cl ZINC000090544074 185302135 /nfs/dbraw/zinc/30/21/35/185302135.db2.gz GCYYPKRNFAYYNS-RISCZKNCSA-N 1 0 312.797 2.302 10 0 DEAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000247016057 534933335 /nfs/dbraw/zinc/93/33/35/534933335.db2.gz LPBYKWGZWYOLID-CVEARBPZSA-N 1 0 305.418 2.254 10 0 DEAERO Cc1ccc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])c(Br)c1 ZINC000090580188 185304764 /nfs/dbraw/zinc/30/47/64/185304764.db2.gz KOLSQVAFSHXDLP-AAEUAGOBSA-N 1 0 313.195 2.060 10 0 DEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000090699690 185310113 /nfs/dbraw/zinc/31/01/13/185310113.db2.gz FLJKGSKDRMLWOT-CYBMUJFWSA-N 1 0 318.446 2.072 10 0 DEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000090699691 185310269 /nfs/dbraw/zinc/31/02/69/185310269.db2.gz FLJKGSKDRMLWOT-ZDUSSCGKSA-N 1 0 318.446 2.072 10 0 DEAERO O=C(CSCC1C[NH2+]C1)Nc1ccc(Br)cc1 ZINC000090712596 185310994 /nfs/dbraw/zinc/31/09/94/185310994.db2.gz SYJIWHCBNCMHLM-UHFFFAOYSA-N 1 0 315.236 2.340 10 0 DEAERO O=C(CSCC1C[NH2+]C1)Nc1cccc(Br)c1 ZINC000090713115 185311078 /nfs/dbraw/zinc/31/10/78/185311078.db2.gz HCHZNCFAFDUMBD-UHFFFAOYSA-N 1 0 315.236 2.340 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@@H]1COc1ncncc1Br ZINC000090782515 185311838 /nfs/dbraw/zinc/31/18/38/185311838.db2.gz MEXIKXJFQZDCFS-VHSXEESVSA-N 1 0 300.200 2.383 10 0 DEAERO CC(C)c1nnc(CN2CCC(CCC[NH+](C)C)CC2)n1C ZINC000179703565 282231933 /nfs/dbraw/zinc/23/19/33/282231933.db2.gz DWBCIVCZXRESLI-UHFFFAOYSA-N 1 0 307.486 2.492 10 0 DEAERO CCCCOCCOCCOCC[NH2+]CCOCC(C)C ZINC000167348448 197706869 /nfs/dbraw/zinc/70/68/69/197706869.db2.gz LMNJUTUNNONDOZ-UHFFFAOYSA-N 1 0 305.459 2.099 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCCOc1cccc(F)c1 ZINC000183511203 282243055 /nfs/dbraw/zinc/24/30/55/282243055.db2.gz KSAMCHHJFXWJEA-UHFFFAOYSA-N 1 0 303.337 2.096 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)c1nccs1 ZINC000184257692 282249870 /nfs/dbraw/zinc/24/98/70/282249870.db2.gz HOMWXXRQEMWRFJ-CHWSQXEVSA-N 1 0 310.467 2.372 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(C(N)=S)ccc1F ZINC000092629119 185330290 /nfs/dbraw/zinc/33/02/90/185330290.db2.gz VVMNFTYUEXCIHR-AWEZNQCLSA-N 1 0 309.454 2.376 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1nc(C)cc(C)c1C(N)=S ZINC000092632009 185330450 /nfs/dbraw/zinc/33/04/50/185330450.db2.gz JSMOWRMYBVUYPD-ZDUSSCGKSA-N 1 0 306.479 2.253 10 0 DEAERO CC1(C)C(CNS(=O)(=O)c2cccc(F)c2C[NH3+])C1(C)C ZINC000092817184 185343794 /nfs/dbraw/zinc/34/37/94/185343794.db2.gz KKJJWVXDXQLZOW-UHFFFAOYSA-N 1 0 314.426 2.245 10 0 DEAERO C[NH2+]Cc1cccc(S(=O)(=O)NC2C(C)(C)C2(C)C)c1C ZINC000092833291 185345030 /nfs/dbraw/zinc/34/50/30/185345030.db2.gz XZSRIZBQAVGZDU-UHFFFAOYSA-N 1 0 310.463 2.427 10 0 DEAERO CCn1cc(C2CC[NH+](Cc3c(C)nn(C)c3OC)CC2)cn1 ZINC000092809288 185342884 /nfs/dbraw/zinc/34/28/84/185342884.db2.gz ZGPKDFXMXOFZMV-UHFFFAOYSA-N 1 0 317.437 2.333 10 0 DEAERO C[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)c1cccs1 ZINC000092911496 185348595 /nfs/dbraw/zinc/34/85/95/185348595.db2.gz FOMAYDKIZYFFIX-DZGCQCFKSA-N 1 0 323.439 2.416 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CC1CC[NH2+]CC1 ZINC000168314987 197720726 /nfs/dbraw/zinc/72/07/26/197720726.db2.gz TVLLVUSAXVGKQC-OAHLLOKOSA-N 1 0 304.438 2.090 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(COC(C)(C)C)on2)[C@@H](C)C1 ZINC000186374231 282273983 /nfs/dbraw/zinc/27/39/83/282273983.db2.gz QTEIYYLRSWIEBR-WFASDCNBSA-N 1 0 323.437 2.448 10 0 DEAERO COC(=O)[C@@H]1CCC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181446066 199297769 /nfs/dbraw/zinc/29/77/69/199297769.db2.gz NNKARMCGKHHXMF-OAHLLOKOSA-N 1 0 305.374 2.005 10 0 DEAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000020003772 539330519 /nfs/dbraw/zinc/33/05/19/539330519.db2.gz VEEACAWUQWIIPY-ZDUSSCGKSA-N 1 0 304.415 2.493 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Cc1c(Br)c(CC)nn1C ZINC000168879507 197730633 /nfs/dbraw/zinc/73/06/33/197730633.db2.gz UNVPMJKUHMFNIS-VIFPVBQESA-N 1 0 316.243 2.245 10 0 DEAERO C[N@@H+]1C[C@@H](C(=O)Nc2ccnc3ccncc32)[C@H](C(F)(F)F)C1 ZINC000299744760 529816775 /nfs/dbraw/zinc/81/67/75/529816775.db2.gz PTHMNPVIDCRCBH-GHMZBOCLSA-N 1 0 324.306 2.308 10 0 DEAERO CC[NH2+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1cc(F)cc(F)c1 ZINC000097118087 185413190 /nfs/dbraw/zinc/41/31/90/185413190.db2.gz MMIWEBNOXIMCAP-YGRLFVJLSA-N 1 0 303.374 2.440 10 0 DEAERO C[C@@H]1C[C@H]([N@H+](C)CCOCC(F)(F)C(F)F)CCN1C ZINC000189503974 282311763 /nfs/dbraw/zinc/31/17/63/282311763.db2.gz OOEKVSTZIXJJIW-GHMZBOCLSA-N 1 0 300.340 2.318 10 0 DEAERO CC[C@H]1CN(C(=O)c2csc(Cl)c2)CCN1C[C@@H](C)O ZINC000189608333 282313830 /nfs/dbraw/zinc/31/38/30/282313830.db2.gz DQDIPGGNPHBVTA-PWSUYJOCSA-N 1 0 316.854 2.319 10 0 DEAERO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C1CCCC1 ZINC000188767587 299105125 /nfs/dbraw/zinc/10/51/25/299105125.db2.gz PWMNPDPAXRINOF-KBPBESRZSA-N 1 0 311.470 2.052 10 0 DEAERO CO[C@H]1CN(C(=O)NCCC[NH+]2CCC(C)CC2)CC[C@H]1C ZINC000190487185 282321713 /nfs/dbraw/zinc/32/17/13/282321713.db2.gz VPYYNQQUTRPARU-CVEARBPZSA-N 1 0 311.470 2.175 10 0 DEAERO CCCCN(C1CC1)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000048996088 190677266 /nfs/dbraw/zinc/67/72/66/190677266.db2.gz LTHADJFQXBLLDS-UHFFFAOYSA-N 1 0 302.465 2.203 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCS[C@H](C)CC1 ZINC000192257550 282340223 /nfs/dbraw/zinc/34/02/23/282340223.db2.gz FRVILQAKINOQKE-KGLIPLIRSA-N 1 0 301.500 2.500 10 0 DEAERO Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3cccnc3)CCCN2C)cn1 ZINC000328622627 530006418 /nfs/dbraw/zinc/00/64/18/530006418.db2.gz BKFMGPLUNCPOFW-FUHWJXTLSA-N 1 0 313.449 2.330 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(c3ncnc4c3ncn4C3CC3)CC[C@H]21 ZINC000292647900 530059184 /nfs/dbraw/zinc/05/91/84/530059184.db2.gz GJQCVXLVFMQUKM-TZMCWYRMSA-N 1 0 312.421 2.082 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1Br ZINC000089460349 539412110 /nfs/dbraw/zinc/41/21/10/539412110.db2.gz RRMMFBKUOQJGEZ-CMPLNLGQSA-N 1 0 311.223 2.440 10 0 DEAERO O[C@@H](C[NH2+]CC1CC(O)C1)COc1cc(Cl)ccc1Cl ZINC000091538721 539419482 /nfs/dbraw/zinc/41/94/82/539419482.db2.gz SCAVRZJYLXZAEM-NHNAUAITSA-N 1 0 320.216 2.094 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCN(C)c1ccccc1 ZINC000107832646 185493678 /nfs/dbraw/zinc/49/36/78/185493678.db2.gz YBNPKOKEMVIZGG-MRXNPFEDSA-N 1 0 320.481 2.495 10 0 DEAERO CC1(OCC(=O)NCCc2ccc(Cl)cc2Cl)C[NH2+]C1 ZINC000098060321 539436097 /nfs/dbraw/zinc/43/60/97/539436097.db2.gz UKDHLOAFUMDUPP-UHFFFAOYSA-N 1 0 317.216 2.031 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C(C)C)nn1C ZINC000245407905 282385467 /nfs/dbraw/zinc/38/54/67/282385467.db2.gz DNFBFPVLJQOERT-KBPBESRZSA-N 1 0 304.438 2.242 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)CCC3)C[C@H]1C ZINC000245424773 282387234 /nfs/dbraw/zinc/38/72/34/282387234.db2.gz CYJGISHQSIBFRU-KGLIPLIRSA-N 1 0 317.433 2.094 10 0 DEAERO O=C(N[C@H]1CCCc2occc21)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111245956 185563793 /nfs/dbraw/zinc/56/37/93/185563793.db2.gz LADDWMKKYCPRPW-GWCFXTLKSA-N 1 0 302.296 2.315 10 0 DEAERO [NH3+]CCC[C@H]1CCCN1c1ccccc1S(=O)(=O)C(F)F ZINC000111379796 185590741 /nfs/dbraw/zinc/59/07/41/185590741.db2.gz YLQUYYJUAYUWOV-NSHDSACASA-N 1 0 318.389 2.391 10 0 DEAERO CC(C)C[C@H](C[NH3+])NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000111366987 185588180 /nfs/dbraw/zinc/58/81/80/185588180.db2.gz PIIJXLGWCVUREA-ZCFIWIBFSA-N 1 0 310.266 2.485 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000136307881 539517380 /nfs/dbraw/zinc/51/73/80/539517380.db2.gz AYWXCCBAOGAJLI-CQSZACIVSA-N 1 0 309.841 2.362 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@H](C[NH2+]C3CC3)C2)cc1 ZINC000111719699 185630630 /nfs/dbraw/zinc/63/06/30/185630630.db2.gz WSJOENQBDABYRS-CQSZACIVSA-N 1 0 308.447 2.148 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N[C@@H]1CCCOc2c(F)cccc21 ZINC000333817082 282972012 /nfs/dbraw/zinc/97/20/12/282972012.db2.gz QNQBZAAROCCABI-IUODEOHRSA-N 1 0 321.396 2.481 10 0 DEAERO CC(=O)c1ccc(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000625826926 365918283 /nfs/dbraw/zinc/91/82/83/365918283.db2.gz OYPNRADTHIWBDU-CALCHBBNSA-N 1 0 301.390 2.353 10 0 DEAERO [NH3+]CCCOCCNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000625830210 365919586 /nfs/dbraw/zinc/91/95/86/365919586.db2.gz CWPMMHZOWHHKEW-UHFFFAOYSA-N 1 0 306.193 2.480 10 0 DEAERO CCCc1nc(-n2cc(C(F)(F)F)cn2)c(C)c(NN)[nH+]1 ZINC000126698212 185885420 /nfs/dbraw/zinc/88/54/20/185885420.db2.gz PDOUXNAZEIPPBN-UHFFFAOYSA-N 1 0 300.288 2.228 10 0 DEAERO CCc1nn(C)c(CC(=O)[C@@H](C)CCC[NH3+])c1Br ZINC000127001767 185911775 /nfs/dbraw/zinc/91/17/75/185911775.db2.gz QTBZBVJPRFLJHE-VIFPVBQESA-N 1 0 316.243 2.232 10 0 DEAERO CN(C(=O)OC(C)(C)C)[C@@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616671954 362907799 /nfs/dbraw/zinc/90/77/99/362907799.db2.gz GLZQJYZTAPUUDB-CQSZACIVSA-N 1 0 305.422 2.243 10 0 DEAERO CC(C)(C)OC(=O)NCC[C@H]1c2ccccc2CCN1CC[NH3+] ZINC000616679142 362908587 /nfs/dbraw/zinc/90/85/87/362908587.db2.gz QZMGBQYYTDEUMT-INIZCTEOSA-N 1 0 319.449 2.459 10 0 DEAERO CC(C)CC[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000176628494 539628131 /nfs/dbraw/zinc/62/81/31/539628131.db2.gz CKFKAQCFTMEGRX-CQSZACIVSA-N 1 0 302.484 2.169 10 0 DEAERO C[C@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000183085956 539659531 /nfs/dbraw/zinc/65/95/31/539659531.db2.gz BZRYMLYOFFBXPX-WFASDCNBSA-N 1 0 310.825 2.156 10 0 DEAERO Cc1ccc(C[NH3+])c(-n2cc(I)cn2)c1 ZINC000070677038 190910092 /nfs/dbraw/zinc/91/00/92/190910092.db2.gz ROIHWDIVPZIIDX-UHFFFAOYSA-N 1 0 313.142 2.244 10 0 DEAERO CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)CC)CC1 ZINC000071159175 190936155 /nfs/dbraw/zinc/93/61/55/190936155.db2.gz PHVDMEQILFDEGD-DZGCQCFKSA-N 1 0 302.484 2.359 10 0 DEAERO COC(=O)[C@H]1CCC[C@@H](C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000130189003 185944679 /nfs/dbraw/zinc/94/46/79/185944679.db2.gz KESUAAOFTUOXTK-FYRZTWFESA-N 1 0 324.465 2.202 10 0 DEAERO Cc1cc(Br)c([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)s1 ZINC000083677986 192377993 /nfs/dbraw/zinc/37/79/93/192377993.db2.gz NZEVHZNIEHTOPZ-APPZFPTMSA-N 1 0 324.265 2.254 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000071310077 190955600 /nfs/dbraw/zinc/95/56/00/190955600.db2.gz IVDACMIBNULMMU-NSHDSACASA-N 1 0 314.227 2.095 10 0 DEAERO CCOc1ccccc1NC(=O)CN1CCC([NH+](C)C)CC1 ZINC000193821172 539715532 /nfs/dbraw/zinc/71/55/32/539715532.db2.gz RSXJMFFPOZVXHA-UHFFFAOYSA-N 1 0 305.422 2.050 10 0 DEAERO CC(C)C[C@H]1C[NH2+]C2(CCCC2)CN1CCCS(C)(=O)=O ZINC000071358751 190962511 /nfs/dbraw/zinc/96/25/11/190962511.db2.gz FTCSEJXKVQNFAW-HNNXBMFYSA-N 1 0 316.511 2.054 10 0 DEAERO Cc1ccc(N)c(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000071383989 190964427 /nfs/dbraw/zinc/96/44/27/190964427.db2.gz YKRLKRMNLDCQQZ-UHFFFAOYSA-N 1 0 304.415 2.271 10 0 DEAERO CCN(CCC(N)=[NH2+])S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000083761810 192381629 /nfs/dbraw/zinc/38/16/29/192381629.db2.gz VBMDDFBRXLJLJX-UHFFFAOYSA-N 1 0 323.340 2.042 10 0 DEAERO CC(C)C[NH2+]Cc1ccc2ccn(CCS(C)(=O)=O)c2c1 ZINC000083794605 192383938 /nfs/dbraw/zinc/38/39/38/192383938.db2.gz XBUUONKGSZEVOB-UHFFFAOYSA-N 1 0 308.447 2.432 10 0 DEAERO C[NH2+][C@H](CS(C)(=O)=O)c1cc(Br)sc1C ZINC000084006555 192395718 /nfs/dbraw/zinc/39/57/18/192395718.db2.gz BHXURUUXTXJKOW-MRVPVSSYSA-N 1 0 312.254 2.124 10 0 DEAERO Cc1ccc(C)c([S@@](=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1 ZINC000083999243 192395736 /nfs/dbraw/zinc/39/57/36/192395736.db2.gz PSEPHBVTRFKSNE-KUUHDYPXSA-N 1 0 309.431 2.034 10 0 DEAERO CCOc1ccccc1[C@@H](C[S@](=O)C1CCOCC1)[NH2+]C ZINC000084055013 192397774 /nfs/dbraw/zinc/39/77/74/192397774.db2.gz KDCGNEXOMKOBJV-QVKFZJNVSA-N 1 0 311.447 2.274 10 0 DEAERO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1nncs1 ZINC000084070419 192399140 /nfs/dbraw/zinc/39/91/40/192399140.db2.gz BHIXVOSMVUNRQZ-UHFFFAOYSA-N 1 0 311.436 2.195 10 0 DEAERO CC(=O)N1C[C@H](C(C)C)Oc2ccc(C(=O)[C@@H]3CCC[NH2+]3)cc21 ZINC000071664386 191000016 /nfs/dbraw/zinc/00/00/16/191000016.db2.gz DYCUWUCVWCNVPL-WMLDXEAASA-N 1 0 316.401 2.391 10 0 DEAERO CCC([NH3+])(CC)CNc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000133497702 185990358 /nfs/dbraw/zinc/99/03/58/185990358.db2.gz COQCWLAXPQIGPH-UHFFFAOYSA-N 1 0 311.451 2.057 10 0 DEAERO Cn1cc([C@@H](c2c[nH]c3ccccc23)N2CC[NH+](C)CC2)cn1 ZINC000071704265 191011287 /nfs/dbraw/zinc/01/12/87/191011287.db2.gz IJQKRSKWZNKYSI-SFHVURJKSA-N 1 0 309.417 2.238 10 0 DEAERO COc1ccc([C@H](C)NC(=O)Cc2csc(CC[NH3+])n2)cc1 ZINC000071696283 191008928 /nfs/dbraw/zinc/00/89/28/191008928.db2.gz BISHQAYCPFWREM-NSHDSACASA-N 1 0 319.430 2.073 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1C(=O)C(C)(C)C ZINC000133666922 186004537 /nfs/dbraw/zinc/00/45/37/186004537.db2.gz RGZNMABRTITEPS-UHFFFAOYSA-N 1 0 302.216 2.436 10 0 DEAERO CC(=O)NC1CCN([C@H](C[NH3+])c2ccc(Cl)s2)CC1 ZINC000133720888 186009376 /nfs/dbraw/zinc/00/93/76/186009376.db2.gz CQCORVNHTKSITF-LLVKDONJSA-N 1 0 301.843 2.002 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnn(CC2CC2)c1 ZINC000245994162 539759981 /nfs/dbraw/zinc/75/99/81/539759981.db2.gz DVLYAOJLKQDSAA-HOTGVXAUSA-N 1 0 317.437 2.384 10 0 DEAERO CC[C@H](C)CN(C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138469566 186016937 /nfs/dbraw/zinc/01/69/37/186016937.db2.gz GIPDWIPJCKQYSX-JTQLQIEISA-N 1 0 320.405 2.351 10 0 DEAERO COc1cc(C[C@@H]([NH3+])c2ccc(Br)cc2)ncn1 ZINC000138621330 186017566 /nfs/dbraw/zinc/01/75/66/186017566.db2.gz AGLWNLXGNYQGIJ-GFCCVEGCSA-N 1 0 308.179 2.490 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)NCC(C)C)c1 ZINC000138617787 186017752 /nfs/dbraw/zinc/01/77/52/186017752.db2.gz XJADAOFRQLKGQQ-UHFFFAOYSA-N 1 0 306.378 2.009 10 0 DEAERO C[C@H]1CC[C@H](C)N(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1 ZINC000139158887 186020561 /nfs/dbraw/zinc/02/05/61/186020561.db2.gz KFYMFLWHLAJQDP-UWVGGRQHSA-N 1 0 318.389 2.233 10 0 DEAERO Brc1cc2c(cc1C[NH2+]CCc1ncc[nH]1)OCO2 ZINC000139197333 186021115 /nfs/dbraw/zinc/02/11/15/186021115.db2.gz XXAUXQAWYMAGRK-UHFFFAOYSA-N 1 0 324.178 2.233 10 0 DEAERO CC[C@H]1CCN(S(=O)(=O)c2cc(C[NH2+]C)cc(F)c2F)C1 ZINC000139293998 186021667 /nfs/dbraw/zinc/02/16/67/186021667.db2.gz YMYIQOIRJCPWDF-JTQLQIEISA-N 1 0 318.389 2.105 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc(Br)cn2)no1 ZINC000139806410 186023793 /nfs/dbraw/zinc/02/37/93/186023793.db2.gz CZZVZNHZSFCBBZ-APPZFPTMSA-N 1 0 309.167 2.217 10 0 DEAERO [NH3+][C@H]1C=C[C@H](c2nc(-c3ncccc3Br)no2)C1 ZINC000139861774 186024934 /nfs/dbraw/zinc/02/49/34/186024934.db2.gz RVLVNFWHCKNLHN-YUMQZZPRSA-N 1 0 307.151 2.265 10 0 DEAERO C[NH+](C)CCn1ncc(Cl)c1[C@H](O)[C@@]1(C)CCCS1 ZINC000140179174 186026233 /nfs/dbraw/zinc/02/62/33/186026233.db2.gz AIYNQFQWSDKOCZ-QWHCGFSZSA-N 1 0 303.859 2.417 10 0 DEAERO CC[NH2+][C@H](Cc1ncnn1CC)c1ncccc1Br ZINC000140517183 186026830 /nfs/dbraw/zinc/02/68/30/186026830.db2.gz BJWBVRRJVYTJFY-LLVKDONJSA-N 1 0 324.226 2.349 10 0 DEAERO CC[C@]1(C)N[C@H](c2cccs2)N(C2CC[NH+](C)CC2)C1=O ZINC000141204248 186029287 /nfs/dbraw/zinc/02/92/87/186029287.db2.gz ZBZNGZCJFSFGRS-HOCLYGCPSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCCN1[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147717752 186041464 /nfs/dbraw/zinc/04/14/64/186041464.db2.gz KVDZVBCUKGFLSF-AEGPPILISA-N 1 0 308.447 2.107 10 0 DEAERO C[N@H+](CCN1CC(=O)N[C@H]2CCCC[C@H]21)Cc1ccc(F)cc1 ZINC000248540547 539774119 /nfs/dbraw/zinc/77/41/19/539774119.db2.gz BGYTUROCQLDYNR-DLBZAZTESA-N 1 0 319.424 2.001 10 0 DEAERO CCn1cc(S(=O)(=O)NCCCCC(C)C)cc1C[NH2+]C ZINC000147923418 186042398 /nfs/dbraw/zinc/04/23/98/186042398.db2.gz BYNWIUFTMNXYMD-UHFFFAOYSA-N 1 0 315.483 2.332 10 0 DEAERO Cc1oc(C[NH2+]C(C)C)cc1S(=O)(=O)N(C)C1CCC1 ZINC000144632250 186035713 /nfs/dbraw/zinc/03/57/13/186035713.db2.gz DMAHZGMHPUSXQP-UHFFFAOYSA-N 1 0 300.424 2.259 10 0 DEAERO CC[NH2+][C@H](c1sccc1Br)[C@H]1CN(C)CCO1 ZINC000147272430 186038861 /nfs/dbraw/zinc/03/88/61/186038861.db2.gz DUIRMHQEGPGCHP-MNOVXSKESA-N 1 0 319.268 2.492 10 0 DEAERO CC[NH2+]C1CCN(S(=O)(=O)C[C@H](C)c2ccccc2)CC1 ZINC000149256565 186048497 /nfs/dbraw/zinc/04/84/97/186048497.db2.gz IWYBZSPFLBNPEN-AWEZNQCLSA-N 1 0 310.463 2.194 10 0 DEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000149414746 186049563 /nfs/dbraw/zinc/04/95/63/186049563.db2.gz XXQWZROUCWRFKP-CABZTGNLSA-N 1 0 302.296 2.454 10 0 DEAERO [NH3+][C@@H](Cc1nc(-c2ccccc2)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000150001361 186053981 /nfs/dbraw/zinc/05/39/81/186053981.db2.gz SSVZVNYXZSRYLS-OLZOCXBDSA-N 1 0 322.455 2.115 10 0 DEAERO C[NH2+][C@@H](c1cscc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000150084579 186054441 /nfs/dbraw/zinc/05/44/41/186054441.db2.gz MEYXWCQIJKYJAW-OIBJUYFYSA-N 1 0 324.265 2.206 10 0 DEAERO CC[NH2+][C@H](Cc1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000150113334 186054478 /nfs/dbraw/zinc/05/44/78/186054478.db2.gz HFZHVVIFTZYMLD-IAGOWNOFSA-N 1 0 307.459 2.131 10 0 DEAERO COc1ccc(C[C@@](O)(C[NH3+])C(C)C)cc1Br ZINC000150085593 186055028 /nfs/dbraw/zinc/05/50/28/186055028.db2.gz VZMXRGDFIOGVEW-CYBMUJFWSA-N 1 0 302.212 2.346 10 0 DEAERO C[NH2+][C@H]1CC(C)(C)Cc2nc([C@@H]3CCS(=O)(=O)C3)sc21 ZINC000150259170 186056199 /nfs/dbraw/zinc/05/61/99/186056199.db2.gz DOVWKPQUHNUXDT-ZJUUUORDSA-N 1 0 314.476 2.278 10 0 DEAERO C[C@@H](C[NH3+])CC(=O)NCc1cc(F)ccc1Br ZINC000150336202 186056817 /nfs/dbraw/zinc/05/68/17/186056817.db2.gz YUBDTGSDILUXLL-MRVPVSSYSA-N 1 0 303.175 2.189 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)CSC[C@@H]1CCCCO1 ZINC000171184671 197894857 /nfs/dbraw/zinc/89/48/57/197894857.db2.gz NZHGERRUKHGKCV-KGLIPLIRSA-N 1 0 302.484 2.135 10 0 DEAERO Cc1ccc([C@H](C[NH3+])N2CCOC[C@@H]2C)c(Br)c1 ZINC000164064468 186147573 /nfs/dbraw/zinc/14/75/73/186147573.db2.gz NPCSDJQECSRWTP-FZMZJTMJSA-N 1 0 313.239 2.478 10 0 DEAERO C[NH2+]C[C@H]1CN(Cc2ccc(C)cc2Br)CCO1 ZINC000164126714 186149503 /nfs/dbraw/zinc/14/95/03/186149503.db2.gz PCKGNCPAUOFDIM-ZDUSSCGKSA-N 1 0 313.239 2.178 10 0 DEAERO CC(C)[C@](C)(C[NH3+])NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000155937910 186124191 /nfs/dbraw/zinc/12/41/91/186124191.db2.gz SJPUHMLRGAIXBZ-ZDUSSCGKSA-N 1 0 310.266 2.485 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(CCO)CCOC ZINC000164222773 186152970 /nfs/dbraw/zinc/15/29/70/186152970.db2.gz OTFKTWJKSOCZBE-LSDHHAIUSA-N 1 0 300.830 2.059 10 0 DEAERO CCCN(CC[NH+](C)C)C(=O)[C@H](C(=O)OCC)C(C)(C)C ZINC000164323004 186155637 /nfs/dbraw/zinc/15/56/37/186155637.db2.gz YHQUGHGPINDSCC-CYBMUJFWSA-N 1 0 300.443 2.012 10 0 DEAERO CC(C)C[C@H](C[NH3+])CC(=O)c1c(Br)cnn1C ZINC000164325200 186155778 /nfs/dbraw/zinc/15/57/78/186155778.db2.gz YTZMQWLECMQRJC-VIFPVBQESA-N 1 0 302.216 2.376 10 0 DEAERO C[C@@H]([NH3+])Cc1ccc(SCCS(C)(=O)=O)c(Cl)c1 ZINC000164473340 186159036 /nfs/dbraw/zinc/15/90/36/186159036.db2.gz AKKNUTPDCXTHPD-SECBINFHSA-N 1 0 307.868 2.366 10 0 DEAERO COC[C@@H](C)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000171443642 186160648 /nfs/dbraw/zinc/16/06/48/186160648.db2.gz VBPAUZIPHFWEKE-CQSZACIVSA-N 1 0 304.434 2.222 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000173344491 186179074 /nfs/dbraw/zinc/17/90/74/186179074.db2.gz HPIBMPXOJMCGPG-NVXWUHKLSA-N 1 0 319.449 2.327 10 0 DEAERO CC[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Oc1cccc(F)c1 ZINC000175641603 186184241 /nfs/dbraw/zinc/18/42/41/186184241.db2.gz NAZBFIWMFWWBHT-HUUCEWRRSA-N 1 0 323.412 2.329 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000188005030 186242217 /nfs/dbraw/zinc/24/22/17/186242217.db2.gz IZBKRMNAGARIEO-KPZWWZAWSA-N 1 0 317.385 2.482 10 0 DEAERO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000183829701 186221869 /nfs/dbraw/zinc/22/18/69/186221869.db2.gz YXJFWDDJHAICPW-OAHLLOKOSA-N 1 0 318.417 2.409 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccccc1 ZINC000171888320 198001698 /nfs/dbraw/zinc/00/16/98/198001698.db2.gz RXYJCCOGCNKCQN-WMZOPIPTSA-N 1 0 310.397 2.409 10 0 DEAERO COc1c(F)cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000171891105 198002010 /nfs/dbraw/zinc/00/20/10/198002010.db2.gz UFCLRGGXULMQOV-LLVKDONJSA-N 1 0 311.332 2.285 10 0 DEAERO CCn1ncc2ccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc21 ZINC000171892142 198002699 /nfs/dbraw/zinc/00/26/99/198002699.db2.gz XMLJIDSHCXGSBY-HNNXBMFYSA-N 1 0 313.405 2.368 10 0 DEAERO Cc1ccccc1-n1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000171954185 198013957 /nfs/dbraw/zinc/01/39/57/198013957.db2.gz WFGHQGXIKYKYEF-INIZCTEOSA-N 1 0 310.401 2.101 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](Cc3cc(F)cc4c3OCOC4)C2)cn1 ZINC000172054635 198031936 /nfs/dbraw/zinc/03/19/36/198031936.db2.gz OJBQWCZMNJALTN-LBPRGKRZSA-N 1 0 317.364 2.415 10 0 DEAERO CC(C)COc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000172106200 198040034 /nfs/dbraw/zinc/04/00/34/198040034.db2.gz CQNMIVTYENMUKH-HNNXBMFYSA-N 1 0 318.421 2.428 10 0 DEAERO CC[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(C)cc1 ZINC000172115774 198041607 /nfs/dbraw/zinc/04/16/07/198041607.db2.gz FWWBXHDPYHQMQB-IRXDYDNUSA-N 1 0 319.449 2.418 10 0 DEAERO C[C@H](c1nc(-c2cccnc2)no1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172190756 198055894 /nfs/dbraw/zinc/05/58/94/198055894.db2.gz NKUNMKRZPBIWGF-CYBMUJFWSA-N 1 0 313.405 2.363 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H](O)CC(C)(C)C ZINC000172296784 198072678 /nfs/dbraw/zinc/07/26/78/198072678.db2.gz AHDIWOXZFROVFJ-CQSZACIVSA-N 1 0 322.449 2.154 10 0 DEAERO C[C@@H]1[C@H](NC(=O)c2ncccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000309734764 539878254 /nfs/dbraw/zinc/87/82/54/539878254.db2.gz QHNOROUYLYVCNP-CZUORRHYSA-N 1 0 310.401 2.057 10 0 DEAERO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172805666 198152161 /nfs/dbraw/zinc/15/21/61/198152161.db2.gz TYWZSOSMGNAFBV-UONOGXRCSA-N 1 0 312.417 2.154 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2ccccc2OC)C1 ZINC000072834961 191235870 /nfs/dbraw/zinc/23/58/70/191235870.db2.gz JKFOLWISXKHUFK-AWEZNQCLSA-N 1 0 305.422 2.050 10 0 DEAERO Cc1ncc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)s1 ZINC000329553217 539923180 /nfs/dbraw/zinc/92/31/80/539923180.db2.gz DFCTVRNYXFQFIT-QMTHXVAHSA-N 1 0 306.391 2.427 10 0 DEAERO O=C(Cc1noc([C@@H]2CCC[N@@H+]2C2CCCC2)n1)N1CCCC1 ZINC000333233572 539952911 /nfs/dbraw/zinc/95/29/11/539952911.db2.gz VCKSZLOIEKCKRT-AWEZNQCLSA-N 1 0 318.421 2.314 10 0 DEAERO Cc1cc(NC(=O)NC[C@@H]2CN(C)CCO2)ccc1OC(C)C ZINC000173720187 198243966 /nfs/dbraw/zinc/24/39/66/198243966.db2.gz KXXGMMKDFULOGK-OAHLLOKOSA-N 1 0 321.421 2.234 10 0 DEAERO Cc1ccc(O[C@H](C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000173917068 198267843 /nfs/dbraw/zinc/26/78/43/198267843.db2.gz IDYSKSZHDOOMSN-CABCVRRESA-N 1 0 305.422 2.108 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC000174120526 198293816 /nfs/dbraw/zinc/29/38/16/198293816.db2.gz MBXQVSJGYKVPKG-DGCLKSJQSA-N 1 0 310.829 2.359 10 0 DEAERO Cc1ccc(O[C@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000174351740 198322963 /nfs/dbraw/zinc/32/29/63/198322963.db2.gz IBDTVXHGSFTBIT-CABCVRRESA-N 1 0 305.422 2.156 10 0 DEAERO COc1cccc(OC)c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174538597 198348620 /nfs/dbraw/zinc/34/86/20/198348620.db2.gz AZUXNTYCSWFCDQ-AGUYFDCRSA-N 1 0 318.417 2.449 10 0 DEAERO CCCOCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309916497 535228843 /nfs/dbraw/zinc/22/88/43/535228843.db2.gz OKPFBVGYDMLSFY-KZNAEPCWSA-N 1 0 316.445 2.440 10 0 DEAERO C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc(F)c1 ZINC000174832867 198391191 /nfs/dbraw/zinc/39/11/91/198391191.db2.gz QTYHFPNCQPCOEI-WFASDCNBSA-N 1 0 306.381 2.245 10 0 DEAERO Cc1nn(C)c(C)c1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000182296316 199414686 /nfs/dbraw/zinc/41/46/86/199414686.db2.gz FSZMMYMKVNNVLI-UHFFFAOYSA-N 1 0 320.481 2.206 10 0 DEAERO CC(C)(C)c1ccc(OC(=O)C2CCN(C(N)=[NH2+])CC2)cc1 ZINC000005355484 353993009 /nfs/dbraw/zinc/99/30/09/353993009.db2.gz PYIOOFVHKMDWER-UHFFFAOYSA-N 1 0 303.406 2.495 10 0 DEAERO C[C@@H]1CCc2nc(NC(=O)NC3CC[NH+](C)CC3)sc2C1 ZINC000043577611 354223952 /nfs/dbraw/zinc/22/39/52/354223952.db2.gz XLIZJUGXSJSBEH-SNVBAGLBSA-N 1 0 308.451 2.484 10 0 DEAERO C[N@H+](CCCOCCc1ccccc1)CC(=O)NC(C)(C)C ZINC000051590231 354387587 /nfs/dbraw/zinc/38/75/87/354387587.db2.gz DIQVCYAKXAFPMQ-UHFFFAOYSA-N 1 0 306.450 2.482 10 0 DEAERO C[C@@H]1CCC[C@@](CNC(=O)NCc2cscn2)([NH+](C)C)C1 ZINC000051751561 354388833 /nfs/dbraw/zinc/38/88/33/354388833.db2.gz LZPKOIXSLGPHQA-IUODEOHRSA-N 1 0 310.467 2.453 10 0 DEAERO CCOc1ccc(OCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000053815893 354444634 /nfs/dbraw/zinc/44/46/34/354444634.db2.gz DSYJYRQFVZWZNG-MRXNPFEDSA-N 1 0 306.406 2.017 10 0 DEAERO CC(=O)c1ccc(OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000073945267 354993698 /nfs/dbraw/zinc/99/36/98/354993698.db2.gz UYDMJWHYDZGFQC-UHFFFAOYSA-N 1 0 316.401 2.011 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)C[C@@H](C)O ZINC000073722209 191346216 /nfs/dbraw/zinc/34/62/16/191346216.db2.gz ZSNABQNWBJRWEL-KGLIPLIRSA-N 1 0 301.475 2.059 10 0 DEAERO Cc1cc(S(=O)(=O)NCCC2CC[NH2+]CC2)c(C)s1 ZINC000390824072 540134030 /nfs/dbraw/zinc/13/40/30/540134030.db2.gz IMSDUBKTWHWWTO-UHFFFAOYSA-N 1 0 302.465 2.033 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1nccs1 ZINC000079732787 355327562 /nfs/dbraw/zinc/32/75/62/355327562.db2.gz NOJSPMMWLCOHPW-CQSZACIVSA-N 1 0 318.446 2.115 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ncncc2Br)C1 ZINC000089375278 283099942 /nfs/dbraw/zinc/09/99/42/283099942.db2.gz DEZMKRXJFWVXIL-ZYHUDNBSSA-N 1 0 311.227 2.160 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415260658 540159343 /nfs/dbraw/zinc/15/93/43/540159343.db2.gz GBUUMRQICVZKNE-OLZOCXBDSA-N 1 0 304.394 2.061 10 0 DEAERO CC(C)[NH2+]C1CCN(CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000108368660 355734978 /nfs/dbraw/zinc/73/49/78/355734978.db2.gz DCXUAUCKNNQPSS-UHFFFAOYSA-N 1 0 322.478 2.033 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCCc2ccc(C)nc2)CC1 ZINC000111847424 355750855 /nfs/dbraw/zinc/75/08/55/355750855.db2.gz MYKKPOQQEGWVES-UHFFFAOYSA-N 1 0 318.465 2.354 10 0 DEAERO CN(C)/C=[NH+]/c1cc2c(I)c[nH]c2cn1 ZINC000114531773 355763085 /nfs/dbraw/zinc/76/30/85/355763085.db2.gz KAIOZNPUHSEGRN-MKMNVTDBSA-N 1 0 314.130 2.389 10 0 DEAERO C#Cc1cccc([C@H](CN2CC[NH2+]CC2)C2(O)CCCCC2)c1 ZINC000136683124 355867745 /nfs/dbraw/zinc/86/77/45/355867745.db2.gz AUTMHPRFYAAANQ-IBGZPJMESA-N 1 0 312.457 2.352 10 0 DEAERO CCC[C@H](C)C[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000179659313 356030921 /nfs/dbraw/zinc/03/09/21/356030921.db2.gz RPLODKURXQNHFC-KRWDZBQOSA-N 1 0 317.477 2.357 10 0 DEAERO CC[C@H](CSC)NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000179971979 356038271 /nfs/dbraw/zinc/03/82/71/356038271.db2.gz QWJACVKXTYQPRG-BFHYXJOUSA-N 1 0 301.500 2.500 10 0 DEAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182044079 356106947 /nfs/dbraw/zinc/10/69/47/356106947.db2.gz WLUQTEQBBPSRCQ-ZDUSSCGKSA-N 1 0 315.421 2.223 10 0 DEAERO CCC[C@H](C(=O)NCc1cn(C)nc1-c1ccccc1)[NH+](C)C ZINC000183960623 199656177 /nfs/dbraw/zinc/65/61/77/199656177.db2.gz TWNJDMDTKWWADN-MRXNPFEDSA-N 1 0 314.433 2.434 10 0 DEAERO Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC([NH+](C)C)CC1)C2 ZINC000080161877 192008583 /nfs/dbraw/zinc/00/85/83/192008583.db2.gz QZRWKNKBAXDGPU-QGZVFWFLSA-N 1 0 302.418 2.160 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(OCC[NH3+])cc2)n1 ZINC000183228288 356163172 /nfs/dbraw/zinc/16/31/72/356163172.db2.gz FNLPGCJRBJGXAW-CYBMUJFWSA-N 1 0 302.378 2.037 10 0 DEAERO NC(=O)N1CCC([NH2+]C2(c3ccc(F)cc3F)CCC2)CC1 ZINC000182676232 356138829 /nfs/dbraw/zinc/13/88/29/356138829.db2.gz RUDYSXADLSAGIT-UHFFFAOYSA-N 1 0 309.360 2.477 10 0 DEAERO C[NH2+]Cc1ccn(Cc2ccc(OC)c(Br)c2)n1 ZINC000080093888 192000705 /nfs/dbraw/zinc/00/07/05/192000705.db2.gz RZFKWYPLNGLQGO-UHFFFAOYSA-N 1 0 310.195 2.422 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000236823875 202027320 /nfs/dbraw/zinc/02/73/20/202027320.db2.gz DARGBVHUYWFHMO-MRVPVSSYSA-N 1 0 307.375 2.133 10 0 DEAERO CC(C)N(CC(N)=[NH2+])S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000080224856 192014400 /nfs/dbraw/zinc/01/44/00/192014400.db2.gz YMLHMJOPRSOJKO-UHFFFAOYSA-N 1 0 323.340 2.040 10 0 DEAERO Cc1ccc(C[C@@H](C)NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)s1 ZINC000080248262 192017279 /nfs/dbraw/zinc/01/72/79/192017279.db2.gz UUWGSQBRAWVHEO-YPMHNXCESA-N 1 0 316.492 2.049 10 0 DEAERO C[C@H](NCc1nnc(C2CC2)n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666362 356208923 /nfs/dbraw/zinc/20/89/23/356208923.db2.gz DOXZFJZSXGAHNZ-DZGCQCFKSA-N 1 0 317.481 2.435 10 0 DEAERO CCn1c(C)nnc1CN(C)CCOc1ccc(OC)cc1 ZINC000195028907 356249142 /nfs/dbraw/zinc/24/91/42/356249142.db2.gz HPIDPOHDPUGFBQ-UHFFFAOYSA-N 1 0 304.394 2.126 10 0 DEAERO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(=O)n(C)c2)C1 ZINC000194790165 356245053 /nfs/dbraw/zinc/24/50/53/356245053.db2.gz UZUSWQFPLSHNAL-AWEZNQCLSA-N 1 0 320.437 2.019 10 0 DEAERO COc1ccc(OCCN(C)Cc2nnc(C(C)C)n2C)cc1 ZINC000195028893 356248639 /nfs/dbraw/zinc/24/86/39/356248639.db2.gz RTJKSLRSAXAXOQ-UHFFFAOYSA-N 1 0 318.421 2.458 10 0 DEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ncc(Br)cc1F ZINC000234336669 356286878 /nfs/dbraw/zinc/28/68/78/356286878.db2.gz XZQZVMZCKQMQSM-VIFPVBQESA-N 1 0 302.191 2.371 10 0 DEAERO [NH3+]Cc1ncc(I)cc1OC(F)(F)F ZINC000238606354 356304321 /nfs/dbraw/zinc/30/43/21/356304321.db2.gz DFSRXRBGCVKENM-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO [NH3+]Cc1cc(OC(F)(F)F)ncc1I ZINC000238675769 356305217 /nfs/dbraw/zinc/30/52/17/356305217.db2.gz PREZITDOEMGMLA-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000262265854 356341176 /nfs/dbraw/zinc/34/11/76/356341176.db2.gz HGGYYNOLNVSOHI-OWCLPIDISA-N 1 0 301.434 2.147 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400697206 283157924 /nfs/dbraw/zinc/15/79/24/283157924.db2.gz BFLCZLMMUIBKIO-AEGPPILISA-N 1 0 312.454 2.383 10 0 DEAERO C[C@@H]([NH2+]CCC(C)(C)O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400788586 283158546 /nfs/dbraw/zinc/15/85/46/283158546.db2.gz RGCUZTWJUHRWRU-CHWSQXEVSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]([NH2+]CCn1cccn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400745280 283158636 /nfs/dbraw/zinc/15/86/36/283158636.db2.gz LTDPQSMBNXEOPG-KGLIPLIRSA-N 1 0 308.426 2.118 10 0 DEAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nncn1C ZINC000400399500 283156689 /nfs/dbraw/zinc/15/66/89/283156689.db2.gz KFICWALKDICHII-AVGNSLFASA-N 1 0 323.441 2.111 10 0 DEAERO CCC[NH2+]Cc1c(N2CC[C@@H](COC)C2)nc2sccn12 ZINC000081072427 192222742 /nfs/dbraw/zinc/22/27/42/192222742.db2.gz FQPOEIQCCLSEQE-GFCCVEGCSA-N 1 0 308.451 2.368 10 0 DEAERO C[C@H]([NH2+]CCc1cnccn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400476355 283157496 /nfs/dbraw/zinc/15/74/96/283157496.db2.gz ZXBLUDGFJFPUOK-KBPBESRZSA-N 1 0 320.437 2.254 10 0 DEAERO CC(C)c1nccc(N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000328621153 356461592 /nfs/dbraw/zinc/46/15/92/356461592.db2.gz AIMZQCPAHSROST-HNNXBMFYSA-N 1 0 304.438 2.147 10 0 DEAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328627682 356463132 /nfs/dbraw/zinc/46/31/32/356463132.db2.gz GMCACEDVTRHXPC-HBNTYKKESA-N 1 0 303.328 2.231 10 0 DEAERO O=C(NC1CC1)c1noc([C@@H]2CCC[N@@H+]2C[C@H]2CC=CCC2)n1 ZINC000328623212 356463184 /nfs/dbraw/zinc/46/31/84/356463184.db2.gz BSSTXILGNBFAIW-JSGCOSHPSA-N 1 0 316.405 2.455 10 0 DEAERO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2nc3c(s2)CCC3)cnn1C ZINC000328645994 356465919 /nfs/dbraw/zinc/46/59/19/356465919.db2.gz ZXLQCYKNKUMFGO-XJKSGUPXSA-N 1 0 318.446 2.294 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000081568186 192293847 /nfs/dbraw/zinc/29/38/47/192293847.db2.gz JYPIWBGCVRWWBG-MRXNPFEDSA-N 1 0 313.449 2.431 10 0 DEAERO COCC[C@H](C)[NH2+]Cc1ccc(I)o1 ZINC000081709390 192316068 /nfs/dbraw/zinc/31/60/68/192316068.db2.gz QGTXIVNTFVCBNE-QMMMGPOBSA-N 1 0 309.147 2.399 10 0 DEAERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)N[C@H](C)CCOC)c1 ZINC000081717822 192316997 /nfs/dbraw/zinc/31/69/97/192316997.db2.gz MGDGRKFUKGABNJ-DOMZBBRYSA-N 1 0 314.451 2.060 10 0 DEAERO CCN(Cc1ccccc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)=O ZINC000236982334 202106941 /nfs/dbraw/zinc/10/69/41/202106941.db2.gz XRNVMSHOMWQNKE-DZGCQCFKSA-N 1 0 303.406 2.121 10 0 DEAERO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCn1cncn1 ZINC000381820490 356672973 /nfs/dbraw/zinc/67/29/73/356672973.db2.gz UMISPWVLJIMZAK-KBPBESRZSA-N 1 0 323.441 2.046 10 0 DEAERO [NH3+][C@@]1(CO)CC[C@@H](Sc2ccc(Br)cn2)C1 ZINC000086637072 192586592 /nfs/dbraw/zinc/58/65/92/192586592.db2.gz WZRCMFXEMVIBFF-KOLCDFICSA-N 1 0 303.225 2.179 10 0 DEAERO CN(CCOCc1ccccc1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000384077436 356682223 /nfs/dbraw/zinc/68/22/23/356682223.db2.gz SZOWVHGYYAGHPD-MRXNPFEDSA-N 1 0 304.434 2.440 10 0 DEAERO CC[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H](C)O ZINC000386800662 356699176 /nfs/dbraw/zinc/69/91/76/356699176.db2.gz PZIUGDXOOJBHCA-NRUUGDAUSA-N 1 0 322.232 2.482 10 0 DEAERO CN(Cc1ccc([S@](C)=O)cc1)C(=O)CCCCCC[NH3+] ZINC000237108214 202156062 /nfs/dbraw/zinc/15/60/62/202156062.db2.gz WGMQZJKLBOSISS-NRFANRHFSA-N 1 0 310.463 2.292 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000390714312 356709992 /nfs/dbraw/zinc/70/99/92/356709992.db2.gz BRCLIOKOPCSQEY-HZPDHXFCSA-N 1 0 304.434 2.488 10 0 DEAERO C[C@@]1(CNc2ncncc2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000397915437 356719117 /nfs/dbraw/zinc/71/91/17/356719117.db2.gz JZEOWSUYKVFLBG-SFHVURJKSA-N 1 0 307.401 2.237 10 0 DEAERO CCS(=O)(=O)CCCOc1ccc2c(c1)CCC[C@@H]2[NH2+]C ZINC000086972961 192603694 /nfs/dbraw/zinc/60/36/94/192603694.db2.gz FMLIYBVSIVRKQI-INIZCTEOSA-N 1 0 311.447 2.487 10 0 DEAERO CCOCC[C@H](O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000578875894 356885941 /nfs/dbraw/zinc/88/59/41/356885941.db2.gz BYHPZAKIBIHVHM-GJZGRUSLSA-N 1 0 315.454 2.218 10 0 DEAERO CCS(=O)(=O)CCC[C@@H](C[NH2+]C)Cc1ccc(OC)cc1 ZINC000086980895 192605077 /nfs/dbraw/zinc/60/50/77/192605077.db2.gz HADBMNFPMVGPHK-OAHLLOKOSA-N 1 0 313.463 2.288 10 0 DEAERO [NH3+]CCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1 ZINC000088974064 192675606 /nfs/dbraw/zinc/67/56/06/192675606.db2.gz XKJAHABCLXYTLX-UHFFFAOYSA-N 1 0 312.435 2.025 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)Nc1ccccc1 ZINC000088975245 192676799 /nfs/dbraw/zinc/67/67/99/192676799.db2.gz KJGQSBOWLGUPOL-HNNXBMFYSA-N 1 0 311.451 2.196 10 0 DEAERO CCCNS(=O)(=O)c1ccc(OCCC[NH2+]CCC)cc1 ZINC000088976083 192677164 /nfs/dbraw/zinc/67/71/64/192677164.db2.gz QBOWWQDQYVSSJV-UHFFFAOYSA-N 1 0 314.451 2.143 10 0 DEAERO CC(C)[NH2+]C[C@H](C)S(=O)(=O)N(Cc1ccsc1)C1CC1 ZINC000088993475 192685485 /nfs/dbraw/zinc/68/54/85/192685485.db2.gz KHUFOMMAYCLBDB-LBPRGKRZSA-N 1 0 316.492 2.429 10 0 DEAERO CC[NH2+]CCCN(C)S(=O)(=O)N(C)C1CCC(CC)CC1 ZINC000088996587 192689257 /nfs/dbraw/zinc/68/92/57/192689257.db2.gz XXVAWIPPZCXKGY-UHFFFAOYSA-N 1 0 319.515 2.063 10 0 DEAERO CC(C)c1nc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cs1 ZINC000588216502 357402182 /nfs/dbraw/zinc/40/21/82/357402182.db2.gz NTFGWKCJZVYPBC-UHFFFAOYSA-N 1 0 307.423 2.277 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCSCC2)[C@@H]1c1ccccc1 ZINC000179270534 199008020 /nfs/dbraw/zinc/00/80/20/199008020.db2.gz YCRWGTUXMVEPFI-CABCVRRESA-N 1 0 305.447 2.190 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000457434311 283297314 /nfs/dbraw/zinc/29/73/14/283297314.db2.gz HBWKXVUPUQRQPP-CVEARBPZSA-N 1 0 316.401 2.138 10 0 DEAERO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H](CO)[C@@H]2C)c1C ZINC000488749834 283304878 /nfs/dbraw/zinc/30/48/78/283304878.db2.gz SHXBVFAPKZXSBB-GVDBMIGSSA-N 1 0 307.434 2.054 10 0 DEAERO COC(=O)c1coc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000184944136 199784542 /nfs/dbraw/zinc/78/45/42/199784542.db2.gz LESRUSYBSKORNR-CQSZACIVSA-N 1 0 320.389 2.157 10 0 DEAERO Cc1[nH]c(=O)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180138621 199121950 /nfs/dbraw/zinc/12/19/50/199121950.db2.gz TZUPXXILWHAOHC-DOTOQJQBSA-N 1 0 311.385 2.271 10 0 DEAERO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180490563 199166310 /nfs/dbraw/zinc/16/63/10/199166310.db2.gz RJQNBVXBHLPOOF-KBXCAEBGSA-N 1 0 314.433 2.162 10 0 DEAERO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000180589405 199180475 /nfs/dbraw/zinc/18/04/75/199180475.db2.gz WKOHCONEJQIXMF-BBRMVZONSA-N 1 0 322.416 2.438 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(C)c1F ZINC000180660265 199192604 /nfs/dbraw/zinc/19/26/04/199192604.db2.gz IYWOJNPOJDWJOW-ZDUSSCGKSA-N 1 0 321.396 2.015 10 0 DEAERO C[NH2+]Cc1cccc(S(=O)(=O)N(C)CCC(F)(F)F)c1C ZINC000089049883 192720503 /nfs/dbraw/zinc/72/05/03/192720503.db2.gz WPUDGSWQTSRVIK-UHFFFAOYSA-N 1 0 324.368 2.287 10 0 DEAERO CCc1nn(CC)c(COC[C@H]2CCC[NH2+]2)c1Br ZINC000089351141 192771990 /nfs/dbraw/zinc/77/19/90/192771990.db2.gz DJDHZWDFROOJEO-SNVBAGLBSA-N 1 0 316.243 2.497 10 0 DEAERO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186672567 199989105 /nfs/dbraw/zinc/98/91/05/199989105.db2.gz OQAGHCFUOFSHKU-MLGOLLRUSA-N 1 0 313.401 2.307 10 0 DEAERO C[C@H](NC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC1)c1ccccc1 ZINC000186788423 200011531 /nfs/dbraw/zinc/01/15/31/200011531.db2.gz NGAQYVRAENAMQA-GJZGRUSLSA-N 1 0 303.450 2.278 10 0 DEAERO C[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C(=O)c1cccc(F)c1 ZINC000186819848 200016453 /nfs/dbraw/zinc/01/64/53/200016453.db2.gz FOCXMEKLCFSNGA-LALPHHSUSA-N 1 0 306.381 2.149 10 0 DEAERO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nccs1 ZINC000187011197 200047137 /nfs/dbraw/zinc/04/71/37/200047137.db2.gz OHWJPBAWRLPPEP-FRRDWIJNSA-N 1 0 310.467 2.371 10 0 DEAERO CCc1nc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cs1 ZINC000187185090 200073284 /nfs/dbraw/zinc/07/32/84/200073284.db2.gz ZDDJAOAVYKQKFZ-SNVBAGLBSA-N 1 0 302.465 2.008 10 0 DEAERO CCc1nc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cs1 ZINC000187185069 200073637 /nfs/dbraw/zinc/07/36/37/200073637.db2.gz ZDDJAOAVYKQKFZ-JTQLQIEISA-N 1 0 302.465 2.008 10 0 DEAERO COc1ccc(F)cc1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000187049133 200052115 /nfs/dbraw/zinc/05/21/15/200052115.db2.gz ZBLSPEHGWWFXIQ-GFCCVEGCSA-N 1 0 321.396 2.118 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000188164366 200202903 /nfs/dbraw/zinc/20/29/03/200202903.db2.gz HVKJFWIHTXNRDN-SJORKVTESA-N 1 0 321.465 2.338 10 0 DEAERO COc1ccc(O)cc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000188255668 200216873 /nfs/dbraw/zinc/21/68/73/200216873.db2.gz JTYZAXNAJBTQHG-ZIAGYGMSSA-N 1 0 320.433 2.499 10 0 DEAERO CCCOc1ccc(C[NH2+]C2CCN(C(N)=O)CC2)c(C)c1 ZINC000188792792 200304275 /nfs/dbraw/zinc/30/42/75/200304275.db2.gz UNHZOUFWKGZOHU-UHFFFAOYSA-N 1 0 305.422 2.417 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3)nc2)CC[NH2+]1 ZINC000189008073 200334782 /nfs/dbraw/zinc/33/47/82/200334782.db2.gz NPEXMUIXJLGBNX-CQSZACIVSA-N 1 0 311.385 2.095 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cnn(C)c1 ZINC000189032635 200338584 /nfs/dbraw/zinc/33/85/84/200338584.db2.gz KERCKKAVMSQRRB-LRDDRELGSA-N 1 0 316.380 2.011 10 0 DEAERO CO[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3C)no2)CC[C@H]1C ZINC000189357070 200386506 /nfs/dbraw/zinc/38/65/06/200386506.db2.gz YDNKZIPYLLEEAF-BDJLRTHQSA-N 1 0 304.394 2.240 10 0 DEAERO COc1ccccc1C[N@H+](CCO)C[C@H](O)C1CCCCC1 ZINC000190511990 200549764 /nfs/dbraw/zinc/54/97/64/200549764.db2.gz KVEHXHVOTSRKCG-KRWDZBQOSA-N 1 0 307.434 2.431 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)[nH]c2C)[C@H](C)C1 ZINC000604295850 360895220 /nfs/dbraw/zinc/89/52/20/360895220.db2.gz ODOAONBLPGPTFR-DYVFJYSZSA-N 1 0 321.465 2.498 10 0 DEAERO COC[C@@H](NC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000606667701 361031014 /nfs/dbraw/zinc/03/10/14/361031014.db2.gz KXPRBEDDJHZOTQ-WMLDXEAASA-N 1 0 319.449 2.404 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000292640918 223180416 /nfs/dbraw/zinc/18/04/16/223180416.db2.gz WQPKHMZRNAHEOY-MRXNPFEDSA-N 1 0 312.417 2.327 10 0 DEAERO C[C@@H](CO)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000608564701 361233078 /nfs/dbraw/zinc/23/30/78/361233078.db2.gz YFFGUCCAJSUYJM-SECBINFHSA-N 1 0 305.205 2.492 10 0 DEAERO C[C@H]([NH3+])CCC(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000193282900 201020648 /nfs/dbraw/zinc/02/06/48/201020648.db2.gz JOBOXWRLDWPAHZ-RDJZCZTQSA-N 1 0 304.434 2.364 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000193601122 201084623 /nfs/dbraw/zinc/08/46/23/201084623.db2.gz ZHUWUMNLTBKJJK-SWLSCSKDSA-N 1 0 323.414 2.376 10 0 DEAERO C[C@](O)(C[NH3+])Cc1nc(CSc2ccccc2Cl)no1 ZINC000090233746 192921611 /nfs/dbraw/zinc/92/16/11/192921611.db2.gz FARKYERDVCXIOG-CYBMUJFWSA-N 1 0 313.810 2.268 10 0 DEAERO C=Cn1cc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cn1 ZINC000193832091 201131895 /nfs/dbraw/zinc/13/18/95/201131895.db2.gz BYEYNXONTABZLQ-CQSZACIVSA-N 1 0 304.438 2.356 10 0 DEAERO Cn1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1=O ZINC000610763318 361462580 /nfs/dbraw/zinc/46/25/80/361462580.db2.gz SYVXTGQXJYUPAJ-CQSZACIVSA-N 1 0 320.433 2.329 10 0 DEAERO Cc1ccc(CN(C)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000194022031 201166136 /nfs/dbraw/zinc/16/61/36/201166136.db2.gz WTOKPKOMUQVPRH-HUUCEWRRSA-N 1 0 323.437 2.229 10 0 DEAERO COc1cc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1C ZINC000194053320 201170355 /nfs/dbraw/zinc/17/03/55/201170355.db2.gz NRTZRIPKAAOPHV-DOTOQJQBSA-N 1 0 304.434 2.156 10 0 DEAERO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1nnc(C)n1C1CC1 ZINC000611431731 361598572 /nfs/dbraw/zinc/59/85/72/361598572.db2.gz JHQKURGJCICXEW-CJNGLKHVSA-N 1 0 306.410 2.133 10 0 DEAERO C[C@@H](NC(=O)CC(C)(C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000364481253 296043510 /nfs/dbraw/zinc/04/35/10/296043510.db2.gz GECKYIJPPOPYFC-FFHGMXDLSA-N 1 0 323.481 2.059 10 0 DEAERO COC(=O)[C@H](C1CC1)N1CCC2(CC1)OCc1ccccc12 ZINC000611667534 361654579 /nfs/dbraw/zinc/65/45/79/361654579.db2.gz POWVPKIQFFVPSK-INIZCTEOSA-N 1 0 301.386 2.460 10 0 DEAERO CCC1(NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)CCC1 ZINC000194695771 201274487 /nfs/dbraw/zinc/27/44/87/201274487.db2.gz BMWKFVHWRVFSME-UHFFFAOYSA-N 1 0 317.433 2.444 10 0 DEAERO Cc1nnc(CN2CC[NH+](CCSC3CCCCC3)CC2)[nH]1 ZINC000619719909 363864920 /nfs/dbraw/zinc/86/49/20/363864920.db2.gz MGWVGOQWFNYESZ-UHFFFAOYSA-N 1 0 323.510 2.297 10 0 DEAERO [NH3+]Cc1nnn(C2CCCCCC2)c1I ZINC000675051198 541285734 /nfs/dbraw/zinc/28/57/34/541285734.db2.gz DMAUXGCQHODWHG-UHFFFAOYSA-N 1 0 320.178 2.237 10 0 DEAERO C[C@H]1CN(C[C@@H]2Cc3cc(Br)ccc3O2)CC[NH2+]1 ZINC000090900282 192943322 /nfs/dbraw/zinc/94/33/22/192943322.db2.gz LBJMYYUEQKDWTP-GWCFXTLKSA-N 1 0 311.223 2.046 10 0 DEAERO C[C@@H](O)CC[NH2+]C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000090905094 192943685 /nfs/dbraw/zinc/94/36/85/192943685.db2.gz KUBWZQDSDWSLOS-SKDRFNHKSA-N 1 0 300.196 2.113 10 0 DEAERO COCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620190613 363986877 /nfs/dbraw/zinc/98/68/77/363986877.db2.gz OMTJXMDLTQNJDM-MRXNPFEDSA-N 1 0 302.418 2.051 10 0 DEAERO CC(=O)N(C)c1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000621007220 364225664 /nfs/dbraw/zinc/22/56/64/364225664.db2.gz PHHYFFQEWPBKHA-UHFFFAOYSA-N 1 0 318.421 2.227 10 0 DEAERO CC(=O)N(C)c1ccccc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621636218 364483638 /nfs/dbraw/zinc/48/36/38/364483638.db2.gz QPOAKBUYLAPIBU-AWEZNQCLSA-N 1 0 303.406 2.388 10 0 DEAERO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000621768914 364539423 /nfs/dbraw/zinc/53/94/23/364539423.db2.gz WNFPFXUGUXKFOL-MWLCHTKSSA-N 1 0 304.362 2.030 10 0 DEAERO [NH3+]Cc1ccn(CC(=O)Nc2cccc(Br)c2)c1 ZINC000090995213 192970004 /nfs/dbraw/zinc/97/00/04/192970004.db2.gz HEXQBMJUJUSEHL-UHFFFAOYSA-N 1 0 308.179 2.348 10 0 DEAERO CC[C@H]([NH3+])Cc1cn(CCS(=O)(=O)CC)c2ccccc12 ZINC000091005201 192970975 /nfs/dbraw/zinc/97/09/75/192970975.db2.gz FVOZUTBJBKBCBF-AWEZNQCLSA-N 1 0 308.447 2.356 10 0 DEAERO CC(C)[C@H](CNC(=O)c1ccc(Br)nc1)[NH+](C)C ZINC000091448264 193058075 /nfs/dbraw/zinc/05/80/75/193058075.db2.gz IUHBNWQNMMYJFO-NSHDSACASA-N 1 0 314.227 2.160 10 0 DEAERO CSCCCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091343664 193043611 /nfs/dbraw/zinc/04/36/11/193043611.db2.gz PYFRTZXHSAHXSY-NSHDSACASA-N 1 0 302.465 2.128 10 0 DEAERO OC[C@H]([C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)C1CC1)C1CC1 ZINC000449502111 240595830 /nfs/dbraw/zinc/59/58/30/240595830.db2.gz GADGPCIIBSEAOP-ROUUACIJSA-N 1 0 312.417 2.154 10 0 DEAERO CN(CC1CC(O)C1)c1ccc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000091459849 193059213 /nfs/dbraw/zinc/05/92/13/193059213.db2.gz OSPQALOCIPNMCZ-UHFFFAOYSA-N 1 0 301.312 2.197 10 0 DEAERO CCc1nn(CC)c(C[C@@H](O)C[NH2+]C(C)C)c1Br ZINC000091465938 193059216 /nfs/dbraw/zinc/05/92/16/193059216.db2.gz ZAJRECCZYGQNHX-SNVBAGLBSA-N 1 0 318.259 2.129 10 0 DEAERO CC[NH2+]Cc1cncc(-n2nc(C)c(Br)c2C)n1 ZINC000091422259 193053903 /nfs/dbraw/zinc/05/39/03/193053903.db2.gz HBKBQOUCVQHPQO-UHFFFAOYSA-N 1 0 310.199 2.151 10 0 DEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)C(CC)(CC)N(C)C ZINC000091614624 193079896 /nfs/dbraw/zinc/07/98/96/193079896.db2.gz CCRPZRUDTSYPCQ-CQSZACIVSA-N 1 0 306.516 2.300 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091546788 193071895 /nfs/dbraw/zinc/07/18/95/193071895.db2.gz BMBZAQXFWQDWMH-BDAKNGLRSA-N 1 0 301.184 2.128 10 0 DEAERO C[NH2+][C@@H](c1ccc(F)c(F)c1F)C(C)(C)N1CCOCC1 ZINC000091566671 193073193 /nfs/dbraw/zinc/07/31/93/193073193.db2.gz FVBYDBKMYKUXRY-AWEZNQCLSA-N 1 0 302.340 2.475 10 0 DEAERO CC(C)([C@H]([NH3+])Cc1ccc(F)cc1Cl)N1CCOCC1 ZINC000091566343 193073471 /nfs/dbraw/zinc/07/34/71/193073471.db2.gz DVRAHEHFOOYHIE-CQSZACIVSA-N 1 0 300.805 2.460 10 0 DEAERO COc1ccc(Cl)cc1C[C@H]([NH3+])C(C)(C)N1CCOCC1 ZINC000091566101 193073542 /nfs/dbraw/zinc/07/35/42/193073542.db2.gz UCJOIVBLWUASTG-HNNXBMFYSA-N 1 0 312.841 2.329 10 0 DEAERO CCc1nn(C)c(C[C@H](O)C[NH2+]C(C)(C)C)c1Br ZINC000091470191 193060237 /nfs/dbraw/zinc/06/02/37/193060237.db2.gz LRLPNXYZEUHCKT-VIFPVBQESA-N 1 0 318.259 2.037 10 0 DEAERO C[C@](O)(C[NH3+])Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000091503754 193066391 /nfs/dbraw/zinc/06/63/91/193066391.db2.gz PZZRSBCXHQWWSR-GFCCVEGCSA-N 1 0 301.268 2.008 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(Br)cc1F ZINC000624237848 365347278 /nfs/dbraw/zinc/34/72/78/365347278.db2.gz FSQFLFYCJRZWHD-CKLFPEKLSA-N 1 0 318.186 2.389 10 0 DEAERO C[NH+](C)C1CCN(c2nc(Cl)ncc2Br)CC1 ZINC000091658273 193085723 /nfs/dbraw/zinc/08/57/23/193085723.db2.gz DRKIUAIGWMLTSN-UHFFFAOYSA-N 1 0 319.634 2.423 10 0 DEAERO S=C1N=NC(c2cccs2)N1C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091674562 193088938 /nfs/dbraw/zinc/08/89/38/193088938.db2.gz MUJROZMZUYRIHE-GHMZBOCLSA-N 1 0 322.459 2.159 10 0 DEAERO c1cc(CN2CCO[C@@H](C[NH2+][C@@H](C3CC3)C3CCC3)C2)ccn1 ZINC000624263646 365361126 /nfs/dbraw/zinc/36/11/26/365361126.db2.gz LWBUXODPSNRSKY-RBUKOAKNSA-N 1 0 315.461 2.451 10 0 DEAERO CCC[NH2+][C@H](Cc1csc(C)n1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722231 193096646 /nfs/dbraw/zinc/09/66/46/193096646.db2.gz KXGTXGNFQIWATI-BZUAXINKSA-N 1 0 309.479 2.225 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)s1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721161 193097114 /nfs/dbraw/zinc/09/71/14/193097114.db2.gz NTKUFFUYFLOIMP-RTXFEEFZSA-N 1 0 300.855 2.395 10 0 DEAERO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CSC(=O)N1 ZINC000091824633 193112973 /nfs/dbraw/zinc/11/29/73/193112973.db2.gz KFERADKKGKNFLZ-CQSZACIVSA-N 1 0 319.430 2.088 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000624407057 365413156 /nfs/dbraw/zinc/41/31/56/365413156.db2.gz RXINPPMTUYMPHD-GXSJLCMTSA-N 1 0 302.827 2.067 10 0 DEAERO CC(C)Cc1nnc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000091988577 193137535 /nfs/dbraw/zinc/13/75/35/193137535.db2.gz FFKRTAHUSXWYKN-VXGBXAGGSA-N 1 0 323.466 2.437 10 0 DEAERO CCOc1nc2cc(C(=O)NC[C@H]3CC[N@H+](CC)C3)ccc2[nH]1 ZINC000449811879 241110809 /nfs/dbraw/zinc/11/08/09/241110809.db2.gz ASEULRPKBDREGS-GFCCVEGCSA-N 1 0 316.405 2.033 10 0 DEAERO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)CC2(O)CCOCC2)c1 ZINC000630036702 367447551 /nfs/dbraw/zinc/44/75/51/367447551.db2.gz OEYLOLNBDPDKTH-ZWKOTPCHSA-N 1 0 319.445 2.424 10 0 DEAERO CO[C@H]1CN(Cc2csc(Br)c2)[C@](C)(C[NH3+])C1 ZINC000630364803 367612408 /nfs/dbraw/zinc/61/24/08/367612408.db2.gz SYVUWLMZQCHDNW-PWSUYJOCSA-N 1 0 319.268 2.449 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(C(N)=S)c1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092085490 193155105 /nfs/dbraw/zinc/15/51/05/193155105.db2.gz MZFZTVBRWACLBY-TUAOUCFPSA-N 1 0 305.447 2.236 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000450842823 242299059 /nfs/dbraw/zinc/29/90/59/242299059.db2.gz CGRJBUJXPLJZLZ-ZDUSSCGKSA-N 1 0 318.186 2.360 10 0 DEAERO C[C@H]1CCCN1S(=O)(=O)c1ccc(C[NH2+]C2CC2)cc1F ZINC000092115741 193163268 /nfs/dbraw/zinc/16/32/68/193163268.db2.gz VKGGUFVZIKZCMY-NSHDSACASA-N 1 0 312.410 2.251 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC(C2CC2)C2CC2)c(F)c1 ZINC000092115935 193164403 /nfs/dbraw/zinc/16/44/03/193164403.db2.gz SIZRTSQHOKYQKX-UHFFFAOYSA-N 1 0 312.410 2.012 10 0 DEAERO C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115973 193164528 /nfs/dbraw/zinc/16/45/28/193164528.db2.gz VRVBLUKWXVQWNH-FZMZJTMJSA-N 1 0 314.426 2.484 10 0 DEAERO c1cc(OCCN2CCOCC2)ccc1C[NH2+][C@H]1CC12CC2 ZINC000631164198 368055456 /nfs/dbraw/zinc/05/54/56/368055456.db2.gz YUFDQLJPQKQUHR-KRWDZBQOSA-N 1 0 302.418 2.040 10 0 DEAERO c1c(C[NH2+]C[C@@H]2CC3CCC2CC3)nnn1C[C@@H]1CCOC1 ZINC000631166517 368055997 /nfs/dbraw/zinc/05/59/97/368055997.db2.gz VGRKCDOTKWQUOB-GRAKBVBRSA-N 1 0 304.438 2.231 10 0 DEAERO CC1(C)CC[C@@H](C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)O1 ZINC000631078292 368006099 /nfs/dbraw/zinc/00/60/99/368006099.db2.gz SOIDATWFVFZTES-PKOBYXMFSA-N 1 0 318.461 2.171 10 0 DEAERO CCc1cc2c(ncnc2N2CCC[C@](O)(C[NH+](C)C)C2)s1 ZINC000631344817 368165365 /nfs/dbraw/zinc/16/53/65/368165365.db2.gz UKNPMMNYTDVXGN-INIZCTEOSA-N 1 0 320.462 2.147 10 0 DEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc(Cl)c2-n2ccnc2)C1 ZINC000092202401 193172965 /nfs/dbraw/zinc/17/29/65/193172965.db2.gz PQENOCWYAPSSQF-MNOVXSKESA-N 1 0 302.765 2.368 10 0 DEAERO CN(Cc1cc(Br)cs1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092205168 193173184 /nfs/dbraw/zinc/17/31/84/193173184.db2.gz VQYXDLLRSXNTAO-PSASIEDQSA-N 1 0 315.236 2.372 10 0 DEAERO c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C2CN(c3ccncn3)C2)cc1 ZINC000631747332 368367359 /nfs/dbraw/zinc/36/73/59/368367359.db2.gz FEKSICIEXTWAFL-QAPCUYQASA-N 1 0 324.428 2.423 10 0 DEAERO CCc1nn(C)cc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000092247649 193179552 /nfs/dbraw/zinc/17/95/52/193179552.db2.gz WSVPSCSDJKHVIV-INIZCTEOSA-N 1 0 300.406 2.015 10 0 DEAERO CC(=O)c1cccc(NC(=O)CN2CCCCC[C@@H]([NH3+])C2)c1 ZINC000631831335 368408924 /nfs/dbraw/zinc/40/89/24/368408924.db2.gz ASFAZXWTGVKMLM-OAHLLOKOSA-N 1 0 303.406 2.031 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000631831562 368409144 /nfs/dbraw/zinc/40/91/44/368409144.db2.gz IPXLFIBTTGGORO-CZUORRHYSA-N 1 0 317.433 2.420 10 0 DEAERO c1ccc(Cc2nc(CN3CCC[C@@H]4C[NH2+]CC[C@H]43)no2)cc1 ZINC000631886482 368441317 /nfs/dbraw/zinc/44/13/17/368441317.db2.gz IDWOJKGVNCCZCJ-HZPDHXFCSA-N 1 0 312.417 2.234 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631968377 368472060 /nfs/dbraw/zinc/47/20/60/368472060.db2.gz USPKIGWTHZUFHN-BDAKNGLRSA-N 1 0 323.245 2.209 10 0 DEAERO C[C@H](C(N)=S)[NH+]1CCN(CCSc2ccccc2)CC1 ZINC000092261134 193182294 /nfs/dbraw/zinc/18/22/94/193182294.db2.gz SQUFDSPAKDELBD-CYBMUJFWSA-N 1 0 309.504 2.071 10 0 DEAERO [NH3+][C@H]1CCCCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000631960197 368467949 /nfs/dbraw/zinc/46/79/49/368467949.db2.gz KHWQLVQWROLDCL-VIFPVBQESA-N 1 0 308.856 2.294 10 0 DEAERO CC(C)COc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261733433 203105584 /nfs/dbraw/zinc/10/55/84/203105584.db2.gz KBKSOBKNYUTNKA-XKQJLSEDSA-N 1 0 320.433 2.405 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NCC2(c3ccc(Cl)cc3)CCC2)O1 ZINC000261743393 203106713 /nfs/dbraw/zinc/10/67/13/203106713.db2.gz KRLIZNXGRCQGQT-CABCVRRESA-N 1 0 322.836 2.384 10 0 DEAERO CCS(=O)(=O)CC[C@H](C[NH2+]CCOC)c1ccccc1C ZINC000093105614 193204826 /nfs/dbraw/zinc/20/48/26/193204826.db2.gz SOURYKUZAMIOQP-OAHLLOKOSA-N 1 0 313.463 2.139 10 0 DEAERO COCC[NH2+]C[C@H](CCCS(C)(=O)=O)c1cccc(C)c1 ZINC000093126305 193206458 /nfs/dbraw/zinc/20/64/58/193206458.db2.gz RXPGWACJAIQRRS-INIZCTEOSA-N 1 0 313.463 2.139 10 0 DEAERO CC[NH2+]C[C@@H](c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000093147623 193208848 /nfs/dbraw/zinc/20/88/48/193208848.db2.gz SLQNZSOOVMOYBG-JSGCOSHPSA-N 1 0 301.839 2.468 10 0 DEAERO [NH3+]C[C@@H](c1cccc(F)c1)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000093164848 193209370 /nfs/dbraw/zinc/20/93/70/193209370.db2.gz JMNWZDBNDWIQPF-GJZGRUSLSA-N 1 0 305.374 2.439 10 0 DEAERO CCc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)cc1 ZINC000262359145 203271901 /nfs/dbraw/zinc/27/19/01/203271901.db2.gz IJXFGQOAAFHYEJ-UHFFFAOYSA-N 1 0 313.405 2.097 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@]12CC[NH2+]C[C@@H]2c1cccc(F)c1 ZINC000093173994 193210103 /nfs/dbraw/zinc/21/01/03/193210103.db2.gz HMTNTRDORJUBNF-BZUAXINKSA-N 1 0 311.422 2.486 10 0 DEAERO Cc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)c(C)c1 ZINC000262381902 203279287 /nfs/dbraw/zinc/27/92/87/203279287.db2.gz LNHWPFGDKWAFOV-UHFFFAOYSA-N 1 0 313.405 2.151 10 0 DEAERO CS(=O)(=O)CCC[C@@H](C[NH3+])c1ccccc1Br ZINC000093181529 193211836 /nfs/dbraw/zinc/21/18/36/193211836.db2.gz OJZUNTUZSKIZKJ-JTQLQIEISA-N 1 0 320.252 2.316 10 0 DEAERO CC[NH2+]C[C@H](c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000093180004 193211980 /nfs/dbraw/zinc/21/19/80/193211980.db2.gz BFLJQXGXZPCEMI-AAEUAGOBSA-N 1 0 301.839 2.468 10 0 DEAERO O=S1(=O)CC[C@@H](C2(Cc3c(F)cccc3Cl)C[NH2+]C2)C1 ZINC000093195393 193214441 /nfs/dbraw/zinc/21/44/41/193214441.db2.gz NIFIKMVFQIPMNY-SNVBAGLBSA-N 1 0 317.813 2.046 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1cc(C[NH3+])ccc1OC ZINC000093265823 193222438 /nfs/dbraw/zinc/22/24/38/193222438.db2.gz GJOIPZDAPJRDBK-GFCCVEGCSA-N 1 0 314.451 2.211 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc(OC)c(C[NH3+])c1 ZINC000093265709 193222771 /nfs/dbraw/zinc/22/27/71/193222771.db2.gz SHQIIRWFNCEAJH-GFCCVEGCSA-N 1 0 314.451 2.211 10 0 DEAERO CCC(CC)N(CC(C)C)S(=O)(=O)c1ccc(C[NH3+])cn1 ZINC000093326630 193233734 /nfs/dbraw/zinc/23/37/34/193233734.db2.gz NUNIPKDDQZOYRI-UHFFFAOYSA-N 1 0 313.467 2.376 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)CCc2cccs2)cc1 ZINC000093292205 193225703 /nfs/dbraw/zinc/22/57/03/193225703.db2.gz DTJGIINAPCTISJ-UHFFFAOYSA-N 1 0 324.471 2.331 10 0 DEAERO Cc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)ccc1-n1cncn1 ZINC000093479646 193257590 /nfs/dbraw/zinc/25/75/90/193257590.db2.gz ZQBIBCSTUMJNQF-BYICEURKSA-N 1 0 312.417 2.169 10 0 DEAERO COc1ccc([C@H]2CNC(=[NH2+])N2CC2CC2)c(Cl)c1OC ZINC000093393600 193242988 /nfs/dbraw/zinc/24/29/88/193242988.db2.gz OACFSZROCMOCFT-LLVKDONJSA-N 1 0 309.797 2.439 10 0 DEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC(C)(C)S(C)(=O)=O ZINC000093520712 193263320 /nfs/dbraw/zinc/26/33/20/193263320.db2.gz AZFKDCLDOAXXHZ-HNNXBMFYSA-N 1 0 311.447 2.485 10 0 DEAERO COC(=O)[C@@]1([NH3+])CCC[C@H]1CCN(CC(F)(F)F)C(C)C ZINC000093589834 193271232 /nfs/dbraw/zinc/27/12/32/193271232.db2.gz ZLFMEKQXKUJOLK-WCQYABFASA-N 1 0 310.360 2.320 10 0 DEAERO Cc1c(Cl)cnn1CC[C@H]1CCC[C@]1([NH2+]C1CC1)C(N)=O ZINC000093616121 193275185 /nfs/dbraw/zinc/27/51/85/193275185.db2.gz ZTSCDCBLUBRYJA-IAQYHMDHSA-N 1 0 310.829 2.011 10 0 DEAERO Cc1c(Cl)cnn1CC[C@H]1CCC[C@@]1([NH2+]C(C)C)C(N)=O ZINC000093616119 193275282 /nfs/dbraw/zinc/27/52/82/193275282.db2.gz RPJJZGGEYXQACH-DOMZBBRYSA-N 1 0 312.845 2.257 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1ccccc1OC ZINC000093630005 193276551 /nfs/dbraw/zinc/27/65/51/193276551.db2.gz RZYLEGRCMAXPDZ-WBMJQRKESA-N 1 0 308.447 2.421 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSC1CCOCC1 ZINC000093630636 193277624 /nfs/dbraw/zinc/27/76/24/193277624.db2.gz DLJWGOQGSMCPNA-CZUORRHYSA-N 1 0 314.495 2.313 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000093696403 193292250 /nfs/dbraw/zinc/29/22/50/193292250.db2.gz JSJQIQARJPFNEF-OAHLLOKOSA-N 1 0 302.484 2.218 10 0 DEAERO CCC[NH2+][C@@H]1CCC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698027 193292769 /nfs/dbraw/zinc/29/27/69/193292769.db2.gz XBSXOQRDZXZRLP-RRFJBIMHSA-N 1 0 302.484 2.216 10 0 DEAERO Cc1ccc([C@@](C)([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093699149 193293151 /nfs/dbraw/zinc/29/31/51/193293151.db2.gz KDDTUEVNNUOHFB-ZBFHGGJFSA-N 1 0 310.463 2.231 10 0 DEAERO CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccsc1 ZINC000093699921 193294037 /nfs/dbraw/zinc/29/40/37/193294037.db2.gz KPFCZGOWKDWGOA-OCCSQVGLSA-N 1 0 316.492 2.460 10 0 DEAERO C[NH2+][C@H](CSCC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700484 193294101 /nfs/dbraw/zinc/29/41/01/193294101.db2.gz LZXIZRQNCLJUCN-KGLIPLIRSA-N 1 0 322.540 2.025 10 0 DEAERO CCC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093700032 193294168 /nfs/dbraw/zinc/29/41/68/193294168.db2.gz HOSGGTAMFROPLR-UONOGXRCSA-N 1 0 304.500 2.462 10 0 DEAERO CCC[NH2+][C@H](CC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699945 193294180 /nfs/dbraw/zinc/29/41/80/193294180.db2.gz GAKIJATWSASANF-HUUCEWRRSA-N 1 0 304.500 2.462 10 0 DEAERO CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)CC(C)(C)C ZINC000093700325 193294291 /nfs/dbraw/zinc/29/42/91/193294291.db2.gz FFXRZTNUGAFDRI-KGLIPLIRSA-N 1 0 304.500 2.462 10 0 DEAERO Cc1cccc([C@H](C[NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093701651 193294921 /nfs/dbraw/zinc/29/49/21/193294921.db2.gz QVOXZKBNYMIVHS-HOCLYGCPSA-N 1 0 310.463 2.099 10 0 DEAERO CC(C)C[NH2+]C[C@H](C)CC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702324 193295445 /nfs/dbraw/zinc/29/54/45/193295445.db2.gz YUBKYCYRDRDVFC-CABCVRRESA-N 1 0 304.500 2.320 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H](n2nc(C)c(Cl)c2C)C1 ZINC000093759602 193302095 /nfs/dbraw/zinc/30/20/95/193302095.db2.gz GWOOIVHJBIYYNJ-IUODEOHRSA-N 1 0 312.845 2.492 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2ccc(F)cc2F)C1 ZINC000093776424 193304444 /nfs/dbraw/zinc/30/44/44/193304444.db2.gz ASQNNXLFFUMSMY-IINYFYTJSA-N 1 0 300.374 2.443 10 0 DEAERO NC(=O)[C@]1([NH3+])CCC[C@H](Oc2ccccc2C(F)(F)F)C1 ZINC000093773819 193304446 /nfs/dbraw/zinc/30/44/46/193304446.db2.gz RGTHJCFHKYZNIS-ZANVPECISA-N 1 0 302.296 2.210 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2ccc(F)cc2F)C1 ZINC000093776427 193305129 /nfs/dbraw/zinc/30/51/29/193305129.db2.gz ASQNNXLFFUMSMY-YGRLFVJLSA-N 1 0 300.374 2.443 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)o1 ZINC000262782680 203403708 /nfs/dbraw/zinc/40/37/08/203403708.db2.gz NMMLNUAJYBARMR-QWHCGFSZSA-N 1 0 302.378 2.200 10 0 DEAERO CC[NH2+][C@@H](c1cscc1Br)[C@@H]1CN(C)CCO1 ZINC000093654998 193285300 /nfs/dbraw/zinc/28/53/00/193285300.db2.gz PDJGZYOFZLSORL-RYUDHWBXSA-N 1 0 319.268 2.492 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)NC1C(C)(C)C([NH3+])C1(C)C ZINC000094006158 193338529 /nfs/dbraw/zinc/33/85/29/193338529.db2.gz UAXIIUTWFHXTRR-UHFFFAOYSA-N 1 0 310.467 2.327 10 0 DEAERO CC1(C)C([NH3+])C(C)(C)C1NC(=O)c1cc(Br)c[nH]1 ZINC000094006294 193338754 /nfs/dbraw/zinc/33/87/54/193338754.db2.gz IRPBLOSUQDQKPJ-UHFFFAOYSA-N 1 0 314.227 2.269 10 0 DEAERO NC(=O)[C@@]1([NH3+])CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000093848877 193317492 /nfs/dbraw/zinc/31/74/92/193317492.db2.gz YIKXJFQGDZORSE-ZYHUDNBSSA-N 1 0 315.236 2.277 10 0 DEAERO C[NH2+][C@@]1(CO)CC[C@H](Sc2ncccc2Br)C1 ZINC000093861000 193319767 /nfs/dbraw/zinc/31/97/67/193319767.db2.gz YDKNCWKJJXJKFQ-CABZTGNLSA-N 1 0 317.252 2.439 10 0 DEAERO C[NH2+][C@@]1(CO)CC[C@@H](Sc2nc3cc(OC)ccc3[nH]2)C1 ZINC000093860442 193320348 /nfs/dbraw/zinc/32/03/48/193320348.db2.gz GUEVGVJHYIYQGI-ABAIWWIYSA-N 1 0 307.419 2.167 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(Cl)cc1 ZINC000093878154 193322053 /nfs/dbraw/zinc/32/20/53/193322053.db2.gz NDKTVMSSQMKVEP-UHFFFAOYSA-N 1 0 304.843 2.336 10 0 DEAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000094024027 193339061 /nfs/dbraw/zinc/33/90/61/193339061.db2.gz MVNLBIQKDJECFI-UHFFFAOYSA-N 1 0 314.426 2.226 10 0 DEAERO C[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)[C@H]1CN(C)CCN1C ZINC000093894557 193325670 /nfs/dbraw/zinc/32/56/70/193325670.db2.gz RSHWNBYEFZRBDZ-LSDHHAIUSA-N 1 0 316.276 2.370 10 0 DEAERO CCC[NH2+][C@H](Cc1csc(C)n1)[C@H]1CN(CCC)CCO1 ZINC000093921242 193328935 /nfs/dbraw/zinc/32/89/35/193328935.db2.gz QWIMKUVXBSQAIT-HZPDHXFCSA-N 1 0 311.495 2.473 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N(C)CC1CC[NH2+]CC1 ZINC000094023840 193339488 /nfs/dbraw/zinc/33/94/88/193339488.db2.gz LWFFFOBOBLJALN-UHFFFAOYSA-N 1 0 316.854 2.269 10 0 DEAERO CC[NH2+][C@H](Cc1nccs1)C1(N2CCOCC2)CCCC1 ZINC000094253632 193355265 /nfs/dbraw/zinc/35/52/65/193355265.db2.gz IZNTXEVAMCTTMD-CQSZACIVSA-N 1 0 309.479 2.309 10 0 DEAERO CC[NH2+][C@@H](Cc1nc2ccccc2s1)[C@H]1CN(C)CCO1 ZINC000094251520 193355396 /nfs/dbraw/zinc/35/53/96/193355396.db2.gz YADFVFRLEPTRHX-UONOGXRCSA-N 1 0 305.447 2.148 10 0 DEAERO CC[NH2+][C@H](c1ccc(F)cn1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094643094 193388638 /nfs/dbraw/zinc/38/86/38/193388638.db2.gz XWPPGTYHVJHLLP-WHOFXGATSA-N 1 0 314.426 2.475 10 0 DEAERO Cc1ccc(NS(=O)(=O)c2ccc(CC[NH3+])cc2)c(C)n1 ZINC000094665001 193390437 /nfs/dbraw/zinc/39/04/37/193390437.db2.gz LFJRZIVBBMBTOT-UHFFFAOYSA-N 1 0 305.403 2.000 10 0 DEAERO CC[NH2+]Cc1nnnn1-c1ccc(Cl)c(Br)c1 ZINC000094672303 193391777 /nfs/dbraw/zinc/39/17/77/193391777.db2.gz WDMOUNOIHXHAQW-UHFFFAOYSA-N 1 0 316.590 2.188 10 0 DEAERO CC(C)C[C@@H]1CN(CCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094420878 193369048 /nfs/dbraw/zinc/36/90/48/193369048.db2.gz UUTOOOVQPDEJKF-OAHLLOKOSA-N 1 0 310.463 2.056 10 0 DEAERO C[NH2+]CCc1c(C)nn([C@H]2CCO[C@]3(CCSC3)C2)c1C ZINC000094414597 193369193 /nfs/dbraw/zinc/36/91/93/193369193.db2.gz WZJTUPRDHZLKMQ-GOEBONIOSA-N 1 0 309.479 2.489 10 0 DEAERO CCOC(=O)C[C@]1([NH+]2CCOCC2)CSCCC1(C)C ZINC000094485581 193372986 /nfs/dbraw/zinc/37/29/86/193372986.db2.gz NPXAFKKQOXZVJL-HNNXBMFYSA-N 1 0 301.452 2.174 10 0 DEAERO C[C@@H]1C[C@](C[NH3+])(N2CCN(c3ccc(F)cc3)CC2)CS1 ZINC000094473242 193372992 /nfs/dbraw/zinc/37/29/92/193372992.db2.gz VOKHDUYUMXWYJM-CZUORRHYSA-N 1 0 309.454 2.171 10 0 DEAERO Brc1cn2ccnc2c(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000094489928 193373921 /nfs/dbraw/zinc/37/39/21/193373921.db2.gz RSSWWQFOPLIUHA-VIFPVBQESA-N 1 0 322.210 2.140 10 0 DEAERO CC[NH2+][C@@H](Cc1ncc(C)c(OC)c1C)[C@H]1CSCCO1 ZINC000094503459 193374465 /nfs/dbraw/zinc/37/44/65/193374465.db2.gz ZDDDAWZLVGYGBO-LSDHHAIUSA-N 1 0 310.463 2.360 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(Cl)s1)[C@H]1CN2CCN1CC2 ZINC000094510566 193375203 /nfs/dbraw/zinc/37/52/03/193375203.db2.gz PBLSQEIMPSRNGK-UONOGXRCSA-N 1 0 313.898 2.312 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000094553535 193379126 /nfs/dbraw/zinc/37/91/26/193379126.db2.gz RFUXVZPIHKGJRP-VHSXEESVSA-N 1 0 322.352 2.154 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(Br)ccc1O ZINC000094573597 193381645 /nfs/dbraw/zinc/38/16/45/193381645.db2.gz IAGAVHZXZNKBQX-QMMMGPOBSA-N 1 0 301.184 2.339 10 0 DEAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094573132 193381761 /nfs/dbraw/zinc/38/17/61/193381761.db2.gz QPMLGMSIKZZBSK-CMPLNLGQSA-N 1 0 302.296 2.459 10 0 DEAERO C[NH2+][C@H](Cc1ncnn1C)c1cc(C(F)(F)F)ccc1F ZINC000094594900 193381961 /nfs/dbraw/zinc/38/19/61/193381961.db2.gz DXIPLOKGYICXJJ-LLVKDONJSA-N 1 0 302.275 2.476 10 0 DEAERO CCCN(c1nc2c(Br)cccn2n1)[C@@H]1CC[NH2+]C1 ZINC000094608126 193384375 /nfs/dbraw/zinc/38/43/75/193384375.db2.gz AVGDNSXQIZXPSI-SNVBAGLBSA-N 1 0 324.226 2.070 10 0 DEAERO C[C@H]([NH3+])C1CCN(c2nc3c(Br)cccn3n2)CC1 ZINC000094608158 193384447 /nfs/dbraw/zinc/38/44/47/193384447.db2.gz RLQGRHOBMNHFHQ-VIFPVBQESA-N 1 0 324.226 2.055 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1c1nc2ccc(Br)cn2n1 ZINC000094607918 193384776 /nfs/dbraw/zinc/38/47/76/193384776.db2.gz GOEDRDZCOHUDFS-NSHDSACASA-N 1 0 324.226 2.070 10 0 DEAERO Cc1cc(CNS(=O)(=O)C[C@@H]2CCCC[NH2+]2)cc(C)c1F ZINC000094895186 193405967 /nfs/dbraw/zinc/40/59/67/193405967.db2.gz IJCMQACRHOJJFD-AWEZNQCLSA-N 1 0 314.426 2.004 10 0 DEAERO CC(C)[C@H](C[NH3+])NC(=O)c1c(F)cc(Br)cc1F ZINC000094717075 193393988 /nfs/dbraw/zinc/39/39/88/193393988.db2.gz ZIJNEKMXJHBNRU-JTQLQIEISA-N 1 0 321.165 2.440 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1C(=O)Nc1cnc(Br)cn1 ZINC000094754487 193395380 /nfs/dbraw/zinc/39/53/80/193395380.db2.gz ZVXQYMAFFGIJBQ-IUCAKERBSA-N 1 0 313.199 2.085 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)CCC2CC[NH2+]CC2)C1 ZINC000094803535 193398927 /nfs/dbraw/zinc/39/89/27/193398927.db2.gz UDMMQQLKADFNNC-UHFFFAOYSA-N 1 0 302.484 2.218 10 0 DEAERO COc1cc(C[NH2+]CC(C)(C)O)cc(Br)c1OC ZINC000096480894 193664182 /nfs/dbraw/zinc/66/41/82/193664182.db2.gz KTAZJASQZJDBGW-UHFFFAOYSA-N 1 0 318.211 2.327 10 0 DEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)c1cc(C)nnc1C ZINC000097218152 193693581 /nfs/dbraw/zinc/69/35/81/193693581.db2.gz XYFUDEMYDPFPBS-HNNXBMFYSA-N 1 0 313.467 2.349 10 0 DEAERO CCOCC[C@H]([NH3+])Cc1c(Br)c(CC)nn1C ZINC000097240568 193696815 /nfs/dbraw/zinc/69/68/15/193696815.db2.gz UBAORNHTBDPZQU-VIFPVBQESA-N 1 0 304.232 2.041 10 0 DEAERO CCC[NH2+][C@H](COC(C)C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097313289 193706846 /nfs/dbraw/zinc/70/68/46/193706846.db2.gz ZODRUOQMKSXRLN-QLFBSQMISA-N 1 0 305.484 2.383 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2cc3ccccc3c(=O)[nH]2)CC[N@@H+]1C ZINC000266124462 205117844 /nfs/dbraw/zinc/11/78/44/205117844.db2.gz YNCKZOYHQHODRP-TZMCWYRMSA-N 1 0 313.401 2.495 10 0 DEAERO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000266235387 205203080 /nfs/dbraw/zinc/20/30/80/205203080.db2.gz SKFMLGZQHWBKJP-SNPRPXQTSA-N 1 0 318.417 2.018 10 0 DEAERO CCC1CCC(O)(CNc2cc(NN)[nH+]c(SC)n2)CC1 ZINC000160908242 197449687 /nfs/dbraw/zinc/44/96/87/197449687.db2.gz QWRBQRVRUBOSPB-UHFFFAOYSA-N 1 0 311.455 2.227 10 0 DEAERO Cn1ncnc1C[C@H]([NH3+])c1ccc(Cl)c(Br)c1 ZINC000160829857 197441479 /nfs/dbraw/zinc/44/14/79/197441479.db2.gz KKWZNRHWJYOHQR-JTQLQIEISA-N 1 0 315.602 2.474 10 0 DEAERO CCC[NH2+][C@@H](c1c(Br)cnn1C)[C@@H]1CCCO1 ZINC000160304591 197399064 /nfs/dbraw/zinc/39/90/64/197399064.db2.gz ABYBHHWWMYNHAA-WDEREUQCSA-N 1 0 302.216 2.402 10 0 DEAERO Cc1c(C(=O)OC(C)C)sc2nc(C)nc(NCC[NH3+])c12 ZINC000020325997 182207472 /nfs/dbraw/zinc/20/74/72/182207472.db2.gz QKIVQSPAEDZWFI-UHFFFAOYSA-N 1 0 308.407 2.244 10 0 DEAERO Cc1c(C(=O)OCC(C)C)sc2nc(C)nc(NCC[NH3+])c12 ZINC000020326081 182207737 /nfs/dbraw/zinc/20/77/37/182207737.db2.gz RSRLDJVCFIPBMX-UHFFFAOYSA-N 1 0 322.434 2.492 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@H](OC)[C@H](C)C2)CC1 ZINC000454654369 246036153 /nfs/dbraw/zinc/03/61/53/246036153.db2.gz OFSDRBYZVOPZFR-ZBFHGGJFSA-N 1 0 311.470 2.175 10 0 DEAERO CCCOc1c(C[NH2+]CCO)cc(Br)cc1OC ZINC000020934087 182255305 /nfs/dbraw/zinc/25/53/05/182255305.db2.gz PSKOINMAHUYUMH-UHFFFAOYSA-N 1 0 318.211 2.328 10 0 DEAERO Cc1ccc([C@@H](O)[C@@]2(C[NH3+])CCOC2)cc1Br ZINC000097902923 193765626 /nfs/dbraw/zinc/76/56/26/193765626.db2.gz MCEJTCZRPYCKKQ-CHWSQXEVSA-N 1 0 300.196 2.156 10 0 DEAERO CC(=O)NCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000036844221 182848270 /nfs/dbraw/zinc/84/82/70/182848270.db2.gz YFEMPBBOEFUQGD-UHFFFAOYSA-N 1 0 311.223 2.421 10 0 DEAERO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[NH2+]CC1 ZINC000037963931 182943863 /nfs/dbraw/zinc/94/38/63/182943863.db2.gz BAUDJHQOZJYHNV-GFCCVEGCSA-N 1 0 303.189 2.113 10 0 DEAERO C[C@H]1C[N@H+](CCCC(=O)Nc2ccc(N)cc2Cl)CCO1 ZINC000040162706 183042510 /nfs/dbraw/zinc/04/25/10/183042510.db2.gz NCWFJNSNPYNUHJ-NSHDSACASA-N 1 0 311.813 2.362 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ccc(O)cc1 ZINC000492563930 249090071 /nfs/dbraw/zinc/09/00/71/249090071.db2.gz JRZZZLAPXUDLER-LWALAHDXSA-N 1 0 300.402 2.491 10 0 DEAERO CCOc1ccc([C@H](CNC(=O)N(C)C)[NH+]2CCCC2)cc1 ZINC000040614644 183108634 /nfs/dbraw/zinc/10/86/34/183108634.db2.gz ZFVNTTDJGBOPSC-INIZCTEOSA-N 1 0 305.422 2.493 10 0 DEAERO COc1cccc(OC)c1C(=O)NCC(C)(C)[NH+]1CCCC1 ZINC000040616084 183109619 /nfs/dbraw/zinc/10/96/19/183109619.db2.gz CJTLDGIHDKNIQT-UHFFFAOYSA-N 1 0 306.406 2.308 10 0 DEAERO CC(C)(C)NNc1[nH+]cnc(NCCc2ccccc2)c1N ZINC000040726011 183125354 /nfs/dbraw/zinc/12/53/54/183125354.db2.gz DTFZHOQEIGYPBZ-UHFFFAOYSA-N 1 0 300.410 2.428 10 0 DEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(Cl)cc1F ZINC000040750038 183128722 /nfs/dbraw/zinc/12/87/22/183128722.db2.gz GHAYQFDCAYUULS-YOGCLGLASA-N 1 0 311.788 2.372 10 0 DEAERO CN(C)Nc1[nH+]cnc(Nc2cccc(Br)c2)c1N ZINC000040760067 183130256 /nfs/dbraw/zinc/13/02/56/183130256.db2.gz VPSISMSIXSQHIX-UHFFFAOYSA-N 1 0 323.198 2.453 10 0 DEAERO COc1cc2c(NCCC[NH+](C)C)ncnc2c(OC)c1OC ZINC000041470583 183193008 /nfs/dbraw/zinc/19/30/08/183193008.db2.gz LAJVZDQEFOXYJW-UHFFFAOYSA-N 1 0 320.393 2.019 10 0 DEAERO Cc1nn(-c2ccccc2F)c2ncnc(NCC[NH+](C)C)c12 ZINC000041472100 183193572 /nfs/dbraw/zinc/19/35/72/183193572.db2.gz OEKFIUWHIFRXIS-UHFFFAOYSA-N 1 0 314.368 2.237 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1OCc1noc(C)n1 ZINC000042411575 183265877 /nfs/dbraw/zinc/26/58/77/183265877.db2.gz HOCXDZQHIJUPJF-UHFFFAOYSA-N 1 0 312.167 2.439 10 0 DEAERO CC[NH2+]Cc1cccc(Br)c1OCC(=O)OC ZINC000042411761 183265920 /nfs/dbraw/zinc/26/59/20/183265920.db2.gz BWEIGBOPXALESO-UHFFFAOYSA-N 1 0 302.168 2.110 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1OCCC(=O)N(C)C ZINC000042411590 183266082 /nfs/dbraw/zinc/26/60/82/183266082.db2.gz HURZNXCVJMIQMT-UHFFFAOYSA-N 1 0 315.211 2.026 10 0 DEAERO CC(C)[NH2+]C[C@@H](O)CN(C)Cc1ccc(Br)cc1 ZINC000042439958 183270311 /nfs/dbraw/zinc/27/03/11/183270311.db2.gz DYAULYNWCSXSHP-CQSZACIVSA-N 1 0 315.255 2.240 10 0 DEAERO CN(C[C@H]1CCCO1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042463564 183273694 /nfs/dbraw/zinc/27/36/94/183273694.db2.gz VDYZZKLCUJXYKK-ZJUUUORDSA-N 1 0 303.200 2.153 10 0 DEAERO CC[NH+]1CCC(N(C)Cc2cc(C(N)=S)ccc2F)CC1 ZINC000042679838 183296420 /nfs/dbraw/zinc/29/64/20/183296420.db2.gz UOHSEMFUZAXSAS-UHFFFAOYSA-N 1 0 309.454 2.376 10 0 DEAERO CCCN(CC(=O)Nc1ccccc1C[NH3+])CC(F)(F)F ZINC000042741045 183303458 /nfs/dbraw/zinc/30/34/58/183303458.db2.gz KMTZSQILJZIUIY-UHFFFAOYSA-N 1 0 303.328 2.358 10 0 DEAERO CN(Cc1cscn1)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000042862346 183315199 /nfs/dbraw/zinc/31/51/99/183315199.db2.gz RELIQRHDLLRFQS-CYBMUJFWSA-N 1 0 305.403 2.046 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CCO)C1CC1 ZINC000042955255 183321498 /nfs/dbraw/zinc/32/14/98/183321498.db2.gz XFXYQNWGWOOAII-IINYFYTJSA-N 1 0 313.239 2.294 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1cccc(C)c1 ZINC000042970479 183324507 /nfs/dbraw/zinc/32/45/07/183324507.db2.gz VAIIDZQCRHMVGU-FZMZJTMJSA-N 1 0 304.419 2.231 10 0 DEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)cc1 ZINC000042782207 183308422 /nfs/dbraw/zinc/30/84/22/183308422.db2.gz NPALBAYDDVBHEQ-VIFPVBQESA-N 1 0 322.352 2.422 10 0 DEAERO CC(C)N(CC(F)(F)F)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000042781317 183308562 /nfs/dbraw/zinc/30/85/62/183308562.db2.gz JUGHIIYSGCQHFA-NSHDSACASA-N 1 0 316.389 2.121 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cccs1)N1CCN(c2nccs2)CC1 ZINC000043102877 183338556 /nfs/dbraw/zinc/33/85/56/183338556.db2.gz MQXYXONKZSXHLG-AAEUAGOBSA-N 1 0 308.476 2.415 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCCN(C(C)=O)CC1 ZINC000043243205 183346914 /nfs/dbraw/zinc/34/69/14/183346914.db2.gz MYBGKHJDCJVHNM-ZBFHGGJFSA-N 1 0 309.479 2.389 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCC(CC(N)=O)CC1 ZINC000043242769 183347100 /nfs/dbraw/zinc/34/71/00/183347100.db2.gz LVTAYUBLBGJUEV-CJNGLKHVSA-N 1 0 309.479 2.422 10 0 DEAERO Nc1cc(=O)[nH]c(S[C@@H](C[NH3+])c2ccc(Cl)s2)n1 ZINC000043258307 183348349 /nfs/dbraw/zinc/34/83/49/183348349.db2.gz LUFUFYZQMKPHIJ-LURJTMIESA-N 1 0 302.812 2.271 10 0 DEAERO Cc1nc(C)n([C@H](C[NH3+])c2ccc(Br)s2)n1 ZINC000043263507 183349186 /nfs/dbraw/zinc/34/91/86/183349186.db2.gz AQXJUOROZGXLCS-MRVPVSSYSA-N 1 0 301.213 2.267 10 0 DEAERO CCN(CCO)[C@H](c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000043286225 183350681 /nfs/dbraw/zinc/35/06/81/183350681.db2.gz YXFRNQXHBIGPFO-KCJUWKMLSA-N 1 0 307.257 2.213 10 0 DEAERO Cc1nn(C)c(-n2ccc(C(F)(F)F)n2)c1C[NH2+]C(C)C ZINC000043298879 183351699 /nfs/dbraw/zinc/35/16/99/183351699.db2.gz YCYHQABCKZDCEN-UHFFFAOYSA-N 1 0 301.316 2.431 10 0 DEAERO CCCc1cc(=O)[nH]c(S[C@@H]([C@H]([NH3+])CC)C(F)(F)F)n1 ZINC000043385735 183358298 /nfs/dbraw/zinc/35/82/98/183358298.db2.gz MDOZHZWDWARSLK-SCZZXKLOSA-N 1 0 309.357 2.483 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N1CCC[C@H](O)C1 ZINC000043091920 183335644 /nfs/dbraw/zinc/33/56/44/183335644.db2.gz KRERBYVZJVXGNS-COPLHBTASA-N 1 0 313.239 2.294 10 0 DEAERO CC(C)CCNC(=O)[C@H](C)[N@H+](CCC(N)=S)CC(C)C ZINC000043418458 183360834 /nfs/dbraw/zinc/36/08/34/183360834.db2.gz DJQLGBSMGHUYQQ-ZDUSSCGKSA-N 1 0 301.500 2.171 10 0 DEAERO CC(C)CN(CCC[NH3+])S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000043416994 183360986 /nfs/dbraw/zinc/36/09/86/183360986.db2.gz ILWISUVNZAAAQT-UHFFFAOYSA-N 1 0 310.463 2.171 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1N(CC)CC(F)(F)F)OCCO2 ZINC000043980316 183391002 /nfs/dbraw/zinc/39/10/02/183391002.db2.gz GVTNGWDIXIEIBW-VXGBXAGGSA-N 1 0 310.360 2.144 10 0 DEAERO CCC[NH2+][C@@](C)(CCCN(CCC)CC(F)(F)F)C(N)=O ZINC000045420841 183505469 /nfs/dbraw/zinc/50/54/69/183505469.db2.gz YMMLECRIHAWJTA-ZDUSSCGKSA-N 1 0 311.392 2.285 10 0 DEAERO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC(=O)N(C2CCCC2)C1=O ZINC000105034566 194065354 /nfs/dbraw/zinc/06/53/54/194065354.db2.gz MWKYOJOSQPKSOP-FZMZJTMJSA-N 1 0 306.431 2.339 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C2CC2)CC1)CC(C)C ZINC000105106301 194074891 /nfs/dbraw/zinc/07/48/91/194074891.db2.gz ULICFZWDUCXERB-QGZVFWFLSA-N 1 0 324.513 2.233 10 0 DEAERO Cc1csc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000105237701 194087704 /nfs/dbraw/zinc/08/77/04/194087704.db2.gz KDAUVJDVFDPXRQ-CHWSQXEVSA-N 1 0 308.451 2.392 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(CCOc2ccc(Cl)cc2)C[C@@H]1C ZINC000105821079 194136643 /nfs/dbraw/zinc/13/66/43/194136643.db2.gz WSQMTBHAPRPDSU-UONOGXRCSA-N 1 0 312.841 2.106 10 0 DEAERO Fc1ccc(OCC[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000105798214 194130674 /nfs/dbraw/zinc/13/06/74/194130674.db2.gz VVAHMKWWVQQCJW-UHFFFAOYSA-N 1 0 316.380 2.207 10 0 DEAERO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(Cl)nc3)CC2)cn1 ZINC000105869615 194152207 /nfs/dbraw/zinc/15/22/07/194152207.db2.gz GGTMWIYACPXKRK-UHFFFAOYSA-N 1 0 319.840 2.176 10 0 DEAERO c1ncn(C[C@H]2CCC[N@@H+](CCCOc3ccccc3)C2)n1 ZINC000105883361 194157873 /nfs/dbraw/zinc/15/78/73/194157873.db2.gz WBQFVQSVSMJJHO-INIZCTEOSA-N 1 0 300.406 2.459 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000105896602 194161814 /nfs/dbraw/zinc/16/18/14/194161814.db2.gz UOFTXCCSZFHZNN-HNNXBMFYSA-N 1 0 304.438 2.095 10 0 DEAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCCCC3)C2)c1 ZINC000105923558 194170475 /nfs/dbraw/zinc/17/04/75/194170475.db2.gz XFGNYLGIOMGVEE-JKSUJKDBSA-N 1 0 304.438 2.229 10 0 DEAERO Cc1oc(-c2cccs2)nc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105925636 194170730 /nfs/dbraw/zinc/17/07/30/194170730.db2.gz XOASGHWQRCCIFK-CYBMUJFWSA-N 1 0 321.446 2.474 10 0 DEAERO CC[C@@H]1CN(Cc2cc(OC)ccc2OC)CC[N@@H+]1CCOC ZINC000106115328 194186593 /nfs/dbraw/zinc/18/65/93/194186593.db2.gz KXCDAPHWRUMXGQ-MRXNPFEDSA-N 1 0 322.449 2.246 10 0 DEAERO CN(CCc1ccncc1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106434605 194213116 /nfs/dbraw/zinc/21/31/16/194213116.db2.gz HTWVQOLXLYXLEN-GOSISDBHSA-N 1 0 311.429 2.255 10 0 DEAERO CC1CC[NH+](CCNC(=O)[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000106431823 194213688 /nfs/dbraw/zinc/21/36/88/194213688.db2.gz JDNZULOLQRWZPV-SFHVURJKSA-N 1 0 317.477 2.007 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106458402 194217349 /nfs/dbraw/zinc/21/73/49/194217349.db2.gz BQVHZRMLNLMZTC-FUHWJXTLSA-N 1 0 317.477 2.150 10 0 DEAERO CSc1cccc(NS(=O)(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000049632371 183749645 /nfs/dbraw/zinc/74/96/45/183749645.db2.gz XKHKIWTWACLYCT-LLVKDONJSA-N 1 0 300.449 2.150 10 0 DEAERO C[C@@H](NS(=O)(=O)C[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000049646054 183751589 /nfs/dbraw/zinc/75/15/89/183751589.db2.gz DAKHJVNNBLYJRF-MFKMUULPSA-N 1 0 302.827 2.072 10 0 DEAERO Cc1ccc(N(C)S(=O)(=O)c2ccc(CC[NH3+])s2)cc1 ZINC000050010188 183767524 /nfs/dbraw/zinc/76/75/24/183767524.db2.gz PBWIAXMJZLJAFU-UHFFFAOYSA-N 1 0 310.444 2.383 10 0 DEAERO CCN[C@@H](C[NH3+])c1cc(OC)c(OC)cc1Br ZINC000050270052 183781303 /nfs/dbraw/zinc/78/13/03/183781303.db2.gz MJSWSNFEEDTOCZ-JTQLQIEISA-N 1 0 303.200 2.076 10 0 DEAERO NC(=S)C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000109442555 194264143 /nfs/dbraw/zinc/26/41/43/194264143.db2.gz ZSPRORZONARSJA-UHFFFAOYSA-N 1 0 318.273 2.397 10 0 DEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N2Cc3ccccc3C2)cc1 ZINC000050912708 183807890 /nfs/dbraw/zinc/80/78/90/183807890.db2.gz CUBPBUZKMHIFCJ-GFCCVEGCSA-N 1 0 302.399 2.411 10 0 DEAERO CCC[C@H](c1nc2c(s1)CN(CC)CC2)N1CC[NH2+]CC1 ZINC000109472740 194266782 /nfs/dbraw/zinc/26/67/82/194266782.db2.gz XUZIBBGAKCZHAH-CQSZACIVSA-N 1 0 308.495 2.268 10 0 DEAERO CC[C@@H](C(N)=S)[NH+]1CCN(Cc2ccc(F)cc2F)CC1 ZINC000109469438 194267569 /nfs/dbraw/zinc/26/75/69/194267569.db2.gz SBXVKWGVDCVFTK-AWEZNQCLSA-N 1 0 313.417 2.147 10 0 DEAERO CC(C)[NH2+]CCOCC(=O)Nc1ccccc1Br ZINC000051862919 183839849 /nfs/dbraw/zinc/83/98/49/183839849.db2.gz SWOVGXUAXWBQBT-UHFFFAOYSA-N 1 0 315.211 2.402 10 0 DEAERO CC(C)[NH2+]C[C@H](Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000052951222 183881383 /nfs/dbraw/zinc/88/13/83/183881383.db2.gz GUFXWAPGKZWBEA-GJZGRUSLSA-N 1 0 313.438 2.417 10 0 DEAERO CCC[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1cccc(F)c1 ZINC000052977255 183882518 /nfs/dbraw/zinc/88/25/18/183882518.db2.gz IYMLFUZITFCSIO-AWEZNQCLSA-N 1 0 301.427 2.419 10 0 DEAERO C[NH+](C)[C@@H]1CCN(c2c(C(N)=S)cnc3ccccc32)C1 ZINC000110278274 194318743 /nfs/dbraw/zinc/31/87/43/194318743.db2.gz DHEAYHUYPJGCJT-LLVKDONJSA-N 1 0 300.431 2.009 10 0 DEAERO COCC[NH2+]C[C@@H]1CCCN1c1ncccc1Br ZINC000053698001 183909933 /nfs/dbraw/zinc/90/99/33/183909933.db2.gz OADCSEFSZHIINE-NSHDSACASA-N 1 0 314.227 2.049 10 0 DEAERO CC[C@@H]1C[NH2+]CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000110678402 194349534 /nfs/dbraw/zinc/34/95/34/194349534.db2.gz NKYRSVSBDQNKTP-SNVBAGLBSA-N 1 0 322.352 2.168 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110927799 194369680 /nfs/dbraw/zinc/36/96/80/194369680.db2.gz JSLVLAURXHJOLR-GFCCVEGCSA-N 1 0 302.827 2.021 10 0 DEAERO CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(C)cc1Cl ZINC000110941881 194371751 /nfs/dbraw/zinc/37/17/51/194371751.db2.gz OOYDQIWZLYMRBB-LBPRGKRZSA-N 1 0 316.854 2.411 10 0 DEAERO CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000110941683 194372195 /nfs/dbraw/zinc/37/21/95/194372195.db2.gz MNMVRBFDTPLNQX-SECBINFHSA-N 1 0 308.856 2.164 10 0 DEAERO O[C@H]1C[NH2+]C[C@@H]1Oc1ccc2ccccc2c1Br ZINC000111060081 194387254 /nfs/dbraw/zinc/38/72/54/194387254.db2.gz NGSSPBAKNGGSHC-AAEUAGOBSA-N 1 0 308.175 2.314 10 0 DEAERO CCC[NH2+][C@@](C)(CCCC[N@H+](CC)CCOCC)C(=O)[O-] ZINC000111121724 194392457 /nfs/dbraw/zinc/39/24/57/194392457.db2.gz RDSPXXUXZMZNEG-INIZCTEOSA-N 1 0 302.459 2.358 10 0 DEAERO CCOc1ncc(C(=O)N2CCC([NH+](C)C)CC2)cc1Cl ZINC000112296631 194453452 /nfs/dbraw/zinc/45/34/52/194453452.db2.gz ISZZASVZAQTZOH-UHFFFAOYSA-N 1 0 311.813 2.300 10 0 DEAERO CCc1cccc(NC(=O)CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061041314 184160642 /nfs/dbraw/zinc/16/06/42/184160642.db2.gz XEICNPKONHEXAE-UHFFFAOYSA-N 1 0 301.434 2.358 10 0 DEAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)Nc1cc(F)c(F)c(F)c1 ZINC000061120354 184162690 /nfs/dbraw/zinc/16/26/90/184162690.db2.gz WGULEKQWSVWLBI-VIFPVBQESA-N 1 0 322.352 2.378 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(OC)c(OC(F)F)c1 ZINC000061233762 184166593 /nfs/dbraw/zinc/16/65/93/184166593.db2.gz GOOYZZRXRAMAGP-SECBINFHSA-N 1 0 302.321 2.481 10 0 DEAERO CC[C@H](NC(=O)CN1CCC[NH2+]CC1)c1cccc(Cl)c1 ZINC000061270210 184167063 /nfs/dbraw/zinc/16/70/63/184167063.db2.gz XYTPAZPZQYWTOX-HNNXBMFYSA-N 1 0 309.841 2.203 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000061270391 184167073 /nfs/dbraw/zinc/16/70/73/184167073.db2.gz CNBUXNGDKARWJV-VIFPVBQESA-N 1 0 318.826 2.070 10 0 DEAERO CCCn1c(S[C@@H](CC(N)=[NH2+])c2ccccc2)n[nH]c1=O ZINC000061595730 184176560 /nfs/dbraw/zinc/17/65/60/184176560.db2.gz TXAIMPRYEFFSAS-NSHDSACASA-N 1 0 305.407 2.141 10 0 DEAERO [NH3+]CCCCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000061630197 184180002 /nfs/dbraw/zinc/18/00/02/184180002.db2.gz LRPHLAWHMBCFCT-UHFFFAOYSA-N 1 0 314.304 2.270 10 0 DEAERO CCNc1ccc(Cl)c(CSc2nc(N)cc(N)[nH+]2)n1 ZINC000061640765 184180426 /nfs/dbraw/zinc/18/04/26/184180426.db2.gz WCNIHWWYSBTKAW-UHFFFAOYSA-N 1 0 310.814 2.414 10 0 DEAERO CC[NH2+]Cc1cc(Br)ccc1O[C@@H](CC)C(N)=O ZINC000061675716 184181908 /nfs/dbraw/zinc/18/19/08/184181908.db2.gz UCCJADRKXFANJW-NSHDSACASA-N 1 0 315.211 2.201 10 0 DEAERO CC[NH2+][C@@H](CS(C)(=O)=O)c1cccc(OC(F)(F)F)c1 ZINC000061703723 184184495 /nfs/dbraw/zinc/18/44/95/184184495.db2.gz LTWMXIFJTQWRMC-NSHDSACASA-N 1 0 311.325 2.280 10 0 DEAERO Nc1ccc(NC(=O)CCC[N@@H+]2CCCOCC2)c(Cl)c1 ZINC000061913675 184195219 /nfs/dbraw/zinc/19/52/19/184195219.db2.gz OHTBYXPLUSKHPF-UHFFFAOYSA-N 1 0 311.813 2.363 10 0 DEAERO CCC[C@@H]1CC[C@H]([NH3+])[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061941074 184197240 /nfs/dbraw/zinc/19/72/40/184197240.db2.gz AZZVABOFYQDCBY-HZSPNIEDSA-N 1 0 307.404 2.462 10 0 DEAERO CC[NH2+][C@H]1CCCC[C@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000061947766 184198233 /nfs/dbraw/zinc/19/82/33/184198233.db2.gz WACWTWHFDHFEKA-KBPBESRZSA-N 1 0 307.404 2.335 10 0 DEAERO COc1ccc(Br)cc1C[C@]1(O)CC[N@H+](C)C1 ZINC000061986836 184199586 /nfs/dbraw/zinc/19/95/86/184199586.db2.gz QSVXXJUXTIQHFA-CYBMUJFWSA-N 1 0 300.196 2.067 10 0 DEAERO CCCNc1cc(C(=O)NCC[N@H+](C)C2CC2)cc(Cl)n1 ZINC000062011898 184201424 /nfs/dbraw/zinc/20/14/24/184201424.db2.gz HBOYKKYNEFYFPY-UHFFFAOYSA-N 1 0 310.829 2.381 10 0 DEAERO CC(C)N1C(=S)N=NC1N1CCC(C[NH+]2CCCC2)CC1 ZINC000062033321 184202233 /nfs/dbraw/zinc/20/22/33/184202233.db2.gz YGQFZBJUXCUDLE-UHFFFAOYSA-N 1 0 309.483 2.460 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000061883596 184191814 /nfs/dbraw/zinc/19/18/14/184191814.db2.gz OADATOACODCDCI-RITPCOANSA-N 1 0 308.250 2.239 10 0 DEAERO C[C@H](Cc1ccccc1)NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000062190112 184217736 /nfs/dbraw/zinc/21/77/36/184217736.db2.gz LWRVXLOOGZPHDU-ZBFHGGJFSA-N 1 0 310.463 2.069 10 0 DEAERO CC(C)C[NH2+]Cc1c(N2CCO[C@@H](C)C2)nc2sccn12 ZINC000062734436 184251625 /nfs/dbraw/zinc/25/16/25/184251625.db2.gz CAEINOUKVWENLK-LBPRGKRZSA-N 1 0 308.451 2.367 10 0 DEAERO COCC[NH2+]Cc1ccc(Br)cc1-n1ccnc1 ZINC000062738543 184251725 /nfs/dbraw/zinc/25/17/25/184251725.db2.gz XTAMAJGANYVTTJ-UHFFFAOYSA-N 1 0 310.195 2.371 10 0 DEAERO CCO[C@H](C[NH3+])CN(C)Cc1cc(Br)cs1 ZINC000062739755 184252126 /nfs/dbraw/zinc/25/21/26/184252126.db2.gz UWMBUHJIYHZTDI-SNVBAGLBSA-N 1 0 307.257 2.306 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062900257 184258818 /nfs/dbraw/zinc/25/88/18/184258818.db2.gz JPTNGKHGIHFXMT-OAHLLOKOSA-N 1 0 310.419 2.425 10 0 DEAERO C[NH2+]Cc1ccc(OCc2nc(C)no2)c(Br)c1 ZINC000062700775 184247598 /nfs/dbraw/zinc/24/75/98/184247598.db2.gz DRDDIDCXHQZWEQ-UHFFFAOYSA-N 1 0 312.167 2.439 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH2+]C(C)C)C2)cc1 ZINC000063138745 184273283 /nfs/dbraw/zinc/27/32/83/184273283.db2.gz BVNLHSJVTSTHTH-HNNXBMFYSA-N 1 0 310.463 2.394 10 0 DEAERO CC(C)n1cc(Br)cc1C(=O)N[C@@H]1CCC[C@H]1[NH3+] ZINC000063172538 184276307 /nfs/dbraw/zinc/27/63/07/184276307.db2.gz ZEZKKNPXHRTWBU-GHMZBOCLSA-N 1 0 314.227 2.441 10 0 DEAERO c1cc(CN2CCCC3(CC[NH+](C[C@H]4CCCO4)CC3)C2)n[nH]1 ZINC000063526978 184284969 /nfs/dbraw/zinc/28/49/69/184284969.db2.gz XSGCMGQMXXYMNR-QGZVFWFLSA-N 1 0 318.465 2.267 10 0 DEAERO COC[C@@H](C)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000189806972 335045303 /nfs/dbraw/zinc/04/53/03/335045303.db2.gz PRQSTLALOAVTQA-KRWDZBQOSA-N 1 0 318.461 2.436 10 0 DEAERO C[NH2+][C@@H](Cc1cc(Br)ccc1OC)c1cnn[nH]1 ZINC000158848467 197306143 /nfs/dbraw/zinc/30/61/43/197306143.db2.gz IXEJMRNQWOPOMI-JTQLQIEISA-N 1 0 311.183 2.079 10 0 DEAERO CC(C)[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)[NH+]1CCCC1 ZINC000065608328 184371936 /nfs/dbraw/zinc/37/19/36/184371936.db2.gz QSWPZAWUOJPPLX-OAHLLOKOSA-N 1 0 306.454 2.488 10 0 DEAERO COCCC[NH2+]CC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000066068342 184386291 /nfs/dbraw/zinc/38/62/91/184386291.db2.gz NZYHAGUTMLCHBO-UHFFFAOYSA-N 1 0 321.421 2.236 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000066125371 184391032 /nfs/dbraw/zinc/39/10/32/184391032.db2.gz GLIYKLJOZLNCKQ-HNNXBMFYSA-N 1 0 321.465 2.087 10 0 DEAERO CC[NH2+]CC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 ZINC000066225731 184397717 /nfs/dbraw/zinc/39/77/17/184397717.db2.gz MPPRWFFRHZGIAK-UHFFFAOYSA-N 1 0 303.406 2.297 10 0 DEAERO C[NH2+]CC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1 ZINC000066225853 184397776 /nfs/dbraw/zinc/39/77/76/184397776.db2.gz IRUCMNJQEOULRS-UHFFFAOYSA-N 1 0 311.385 2.416 10 0 DEAERO OCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000188002777 207369325 /nfs/dbraw/zinc/36/93/25/207369325.db2.gz KKMDDVQDXHUNDT-AEFFLSMTSA-N 1 0 303.450 2.187 10 0 DEAERO CCS(=O)(=O)N1CCC([NH2+][C@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000068615343 184493702 /nfs/dbraw/zinc/49/37/02/184493702.db2.gz NDQFWFZFPXHYBX-YDHLFZDLSA-N 1 0 302.484 2.215 10 0 DEAERO [NH3+][C@H](CNc1ccccc1S(=O)(=O)C(F)(F)F)C1CC1 ZINC000113502516 194596013 /nfs/dbraw/zinc/59/60/13/194596013.db2.gz IFNLGVQPXJGMDS-SECBINFHSA-N 1 0 308.325 2.129 10 0 DEAERO C[C@@H](CC(=O)N(C)CCC[NH+](C)C)C(=O)c1cccc(F)c1 ZINC000539416505 285076868 /nfs/dbraw/zinc/07/68/68/285076868.db2.gz RKNCHNRSFJPXHP-ZDUSSCGKSA-N 1 0 308.397 2.445 10 0 DEAERO [NH3+][C@H](C[S@](=O)c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000159162885 197332500 /nfs/dbraw/zinc/33/25/00/197332500.db2.gz SFDQGHAWAOJNHO-SPLOXXLWSA-N 1 0 309.431 2.473 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)c2cc(C)c(F)c(C[NH3+])c2)C1 ZINC000159073279 197324855 /nfs/dbraw/zinc/32/48/55/197324855.db2.gz MXVSPNSPCIYWCN-LBPRGKRZSA-N 1 0 314.426 2.404 10 0 DEAERO CS(=O)(=O)c1ccc(Sc2ccc(CC[NH3+])cn2)cc1 ZINC000158983887 197316292 /nfs/dbraw/zinc/31/62/92/197316292.db2.gz BBUIEXXARJXJDY-UHFFFAOYSA-N 1 0 308.428 2.138 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158838394 197305039 /nfs/dbraw/zinc/30/50/39/197305039.db2.gz JYSYQGFIXGHARH-KGLIPLIRSA-N 1 0 305.422 2.327 10 0 DEAERO CC[NH2+]Cc1ccccc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000158766969 197299822 /nfs/dbraw/zinc/29/98/22/197299822.db2.gz ZKUQYBIMTCPBLV-GASCZTMLSA-N 1 0 308.447 2.217 10 0 DEAERO COC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000540816878 285128779 /nfs/dbraw/zinc/12/87/79/285128779.db2.gz ROLBCHILNORQPQ-BBRMVZONSA-N 1 0 303.406 2.108 10 0 DEAERO COc1ccc(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1F ZINC000120234475 195124929 /nfs/dbraw/zinc/12/49/29/195124929.db2.gz ZAZHWOPHOXIKNO-CQSZACIVSA-N 1 0 310.413 2.469 10 0 DEAERO C[C@H]1C[C@H](Nc2nc(Cl)nc(N3CCCC3)n2)CC[N@@H+]1C ZINC000158605708 197288270 /nfs/dbraw/zinc/28/82/70/197288270.db2.gz OMPZOUNAKMGZEN-WDEREUQCSA-N 1 0 310.833 2.020 10 0 DEAERO S=C1N=NC(c2ccncc2)N1[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158571109 197284871 /nfs/dbraw/zinc/28/48/71/197284871.db2.gz OQZUJYSBPBGROA-CHWSQXEVSA-N 1 0 301.419 2.428 10 0 DEAERO [NH3+]C[C@@H](c1cccc(Br)c1)[C@H](O)c1ncccn1 ZINC000158514615 197280672 /nfs/dbraw/zinc/28/06/72/197280672.db2.gz OHXYZCZBHCTAIF-RYUDHWBXSA-N 1 0 308.179 2.015 10 0 DEAERO C[C@@H]([NH2+]Cc1ccc(I)o1)[C@H]1CCOC1 ZINC000158490202 197277468 /nfs/dbraw/zinc/27/74/68/197277468.db2.gz FTPSWKZXZLHCQY-BDAKNGLRSA-N 1 0 321.158 2.399 10 0 DEAERO CN(Cc1cscn1)[C@@H](C[NH3+])c1cn(C)nc1C(C)(C)C ZINC000158393890 197268522 /nfs/dbraw/zinc/26/85/22/197268522.db2.gz DYSVWKJKAPWBEX-ZDUSSCGKSA-N 1 0 307.467 2.306 10 0 DEAERO C[C@H](C[NH3+])CC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000158254046 197257355 /nfs/dbraw/zinc/25/73/55/197257355.db2.gz IJYOMLCJINWWRF-JTQLQIEISA-N 1 0 304.312 2.229 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@]2(O)CCSC2)cc1NC(C)=O ZINC000158247500 197257230 /nfs/dbraw/zinc/25/72/30/197257230.db2.gz SBOOZNREZDOGCG-MEDUHNTESA-N 1 0 324.446 2.172 10 0 DEAERO C[C@@H]1C[C@H](Nc2nc3c(cc2C(N)=S)CCC3)CC[N@@H+]1C ZINC000158059728 197240144 /nfs/dbraw/zinc/24/01/44/197240144.db2.gz JOIJUUWXZILAMG-ZYHUDNBSSA-N 1 0 304.463 2.099 10 0 DEAERO O=C(CC[NH+]1CCC(n2cncn2)CC1)Nc1ccccc1F ZINC000157764877 197213961 /nfs/dbraw/zinc/21/39/61/197213961.db2.gz PAAMBTODEUWUIZ-UHFFFAOYSA-N 1 0 317.368 2.083 10 0 DEAERO CC(C)(C)[C@@H]([NH3+])C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000157626467 197202875 /nfs/dbraw/zinc/20/28/75/197202875.db2.gz DOTLCSJKVSBUTH-AWEZNQCLSA-N 1 0 309.841 2.362 10 0 DEAERO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCCCC(F)(F)F)C1(C)C ZINC000157513432 197192895 /nfs/dbraw/zinc/19/28/95/197192895.db2.gz ZDFUTQLWRFUVPE-GXFFZTMASA-N 1 0 310.360 2.368 10 0 DEAERO O=C(NCC[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1F ZINC000157418044 197186146 /nfs/dbraw/zinc/18/61/46/197186146.db2.gz RRQQJCDFUDKFEK-JTQLQIEISA-N 1 0 315.186 2.460 10 0 DEAERO CS(=O)(=O)c1ccc(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000157305411 197178163 /nfs/dbraw/zinc/17/81/63/197178163.db2.gz MMLBPOQZNMNTJK-ZIAGYGMSSA-N 1 0 303.387 2.042 10 0 DEAERO CCOCCN(C)[C@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000157098934 197162142 /nfs/dbraw/zinc/16/21/42/197162142.db2.gz HAFRZKDAIIPCRU-GFCCVEGCSA-N 1 0 300.786 2.037 10 0 DEAERO CC(C)c1nnc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)n1C ZINC000157086502 197161220 /nfs/dbraw/zinc/16/12/20/197161220.db2.gz WEEJZBRCSPMBIK-OAHLLOKOSA-N 1 0 305.470 2.389 10 0 DEAERO COC1(C(=O)N(C)Cc2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000156891263 197148676 /nfs/dbraw/zinc/14/86/76/197148676.db2.gz KTABYBGMMJKPMV-UHFFFAOYSA-N 1 0 314.788 2.206 10 0 DEAERO C[C@@](O)(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1COCC[NH2+]1 ZINC000156779553 197140054 /nfs/dbraw/zinc/14/00/54/197140054.db2.gz ZUEVQSJMCLKBJH-ZIAGYGMSSA-N 1 0 303.324 2.377 10 0 DEAERO COc1c(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c(C)nn1C ZINC000156685628 197133104 /nfs/dbraw/zinc/13/31/04/197133104.db2.gz XWCAILBPDAJAKH-INIZCTEOSA-N 1 0 323.824 2.388 10 0 DEAERO COc1cccc2sc(C(=O)N3CCC([NH3+])CC3)c(N)c21 ZINC000156172358 197092253 /nfs/dbraw/zinc/09/22/53/197092253.db2.gz YVVXVSMAJORRQB-UHFFFAOYSA-N 1 0 305.403 2.055 10 0 DEAERO COc1cccc(OC)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155443659 197055979 /nfs/dbraw/zinc/05/59/79/197055979.db2.gz YJKKFHUXBKBKDA-STQMWFEESA-N 1 0 306.406 2.162 10 0 DEAERO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000155420118 197053377 /nfs/dbraw/zinc/05/33/77/197053377.db2.gz GOYNQDSPJVSFAN-CJNGLKHVSA-N 1 0 304.390 2.135 10 0 DEAERO COC[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000262318235 285225731 /nfs/dbraw/zinc/22/57/31/285225731.db2.gz CLUYELKRUKSYIE-MSOLQXFVSA-N 1 0 310.397 2.134 10 0 DEAERO CCCC1(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CCC1 ZINC000155317654 197043564 /nfs/dbraw/zinc/04/35/64/197043564.db2.gz RSCOHHXJMVILIN-HNNXBMFYSA-N 1 0 311.470 2.103 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000155066060 197018693 /nfs/dbraw/zinc/01/86/93/197018693.db2.gz PEZVDCPBPVJLIR-UHFFFAOYSA-N 1 0 321.469 2.037 10 0 DEAERO COc1cc(C)c(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1OC ZINC000155174258 197029733 /nfs/dbraw/zinc/02/97/33/197029733.db2.gz GRDPAUIOUYISRX-STQMWFEESA-N 1 0 306.406 2.177 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000155124049 197024214 /nfs/dbraw/zinc/02/42/14/197024214.db2.gz FBEOCYVZFWZBSM-CABCVRRESA-N 1 0 317.364 2.267 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)CCCSC(C)(C)C)CCO1 ZINC000155120424 197024228 /nfs/dbraw/zinc/02/42/28/197024228.db2.gz BCHPCPUTPMFJGH-ZDUSSCGKSA-N 1 0 302.484 2.087 10 0 DEAERO C[C@H](C(=O)N1[C@H](C)COC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000155100808 197021408 /nfs/dbraw/zinc/02/14/08/197021408.db2.gz QDUKQXULMKQHLP-QLFBSQMISA-N 1 0 302.418 2.069 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2c2ccnn2C)C1 ZINC000332827241 285230015 /nfs/dbraw/zinc/23/00/15/285230015.db2.gz YCOBAHKMWAPAJK-GDBMZVCRSA-N 1 0 319.453 2.141 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154961022 197008349 /nfs/dbraw/zinc/00/83/49/197008349.db2.gz RZKQZWABEBZPPU-GJZGRUSLSA-N 1 0 317.433 2.425 10 0 DEAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ncc(C(N)=O)cc2Cl)CC1 ZINC000154904082 197004335 /nfs/dbraw/zinc/00/43/35/197004335.db2.gz VDTHPLOLRYDFRM-LLVKDONJSA-N 1 0 322.840 2.287 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Nc1cccc2c1OCCC2=O ZINC000542690699 285243923 /nfs/dbraw/zinc/24/39/23/285243923.db2.gz JBZLBCSKDFVTFR-UHFFFAOYSA-N 1 0 305.378 2.067 10 0 DEAERO COCCO[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000188815603 533199647 /nfs/dbraw/zinc/19/96/47/533199647.db2.gz YCBNNTWFXMWINN-INIZCTEOSA-N 1 0 301.390 2.314 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000177698730 285275003 /nfs/dbraw/zinc/27/50/03/285275003.db2.gz WMUZFIHZVCKYIX-IRXDYDNUSA-N 1 0 303.450 2.232 10 0 DEAERO Cc1cc(C)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000120677508 195213960 /nfs/dbraw/zinc/21/39/60/195213960.db2.gz AEKJYGVIOXBOPD-ZBFHGGJFSA-N 1 0 317.433 2.183 10 0 DEAERO COC(=O)c1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1F ZINC000151442040 196681057 /nfs/dbraw/zinc/68/10/57/196681057.db2.gz LYGIMOSQSWWKON-TZMCWYRMSA-N 1 0 306.381 2.281 10 0 DEAERO Cc1ccc(C[N@@H+]2CC[C@@H]3CO[C@@H](CN4CCCC4=O)[C@@H]3C2)o1 ZINC000248097114 257109345 /nfs/dbraw/zinc/10/93/45/257109345.db2.gz MUYRYBXZMWVNRW-OIISXLGYSA-N 1 0 318.417 2.047 10 0 DEAERO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000121142410 195298329 /nfs/dbraw/zinc/29/83/29/195298329.db2.gz PFFSDSFDNVSXSV-ILXRZTDVSA-N 1 0 312.502 2.087 10 0 DEAERO Cn1ccnc1CC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000121801658 195350075 /nfs/dbraw/zinc/35/00/75/195350075.db2.gz VOZSKPSWPVSRJD-UHFFFAOYSA-N 1 0 318.446 2.035 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000121964190 195382624 /nfs/dbraw/zinc/38/26/24/195382624.db2.gz BMURSNFFDPBMFN-UHFFFAOYSA-N 1 0 318.421 2.027 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)c2cc(C)sc2C)CC[C@@H]1[NH3+] ZINC000122662931 195482151 /nfs/dbraw/zinc/48/21/51/195482151.db2.gz WFXSOBBQILZFJH-NEPJUHHUSA-N 1 0 302.465 2.113 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C)CC[C@@H]1[NH3+] ZINC000122677306 195484680 /nfs/dbraw/zinc/48/46/80/195484680.db2.gz FBHZXECFRWHQRJ-YPMHNXCESA-N 1 0 316.854 2.396 10 0 DEAERO CCC[C@]1(c2nnc3n2C[C@H](C(F)(F)F)CC3)CC[NH2+]C1 ZINC000123146788 195549095 /nfs/dbraw/zinc/54/90/95/195549095.db2.gz KBETVOLDNSZLDO-MFKMUULPSA-N 1 0 302.344 2.434 10 0 DEAERO NC(=O)c1ccc(Br)cc1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000124552948 195653787 /nfs/dbraw/zinc/65/37/87/195653787.db2.gz SPAVVZPLWCLJGN-GZMMTYOYSA-N 1 0 312.211 2.087 10 0 DEAERO [NH3+][C@@H](Cc1ccc(Br)cc1Cl)[C@@H]1COCCO1 ZINC000124818724 195683023 /nfs/dbraw/zinc/68/30/23/195683023.db2.gz RUPXJUJGFLUCDX-RYUDHWBXSA-N 1 0 320.614 2.388 10 0 DEAERO CC(C)[C@H](C)N(C)S(=O)(=O)c1ccc(C[NH3+])cc1Cl ZINC000126221099 195821755 /nfs/dbraw/zinc/82/17/55/195821755.db2.gz SQAYKZRTQXBMES-JTQLQIEISA-N 1 0 304.843 2.464 10 0 DEAERO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@@H]1COCCO1 ZINC000358913795 285421089 /nfs/dbraw/zinc/42/10/89/285421089.db2.gz JBXNIEKHUZYZIN-WBVHZDCISA-N 1 0 313.401 2.255 10 0 DEAERO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000124172502 304289434 /nfs/dbraw/zinc/28/94/34/304289434.db2.gz VQXOOLYMPPIDMK-JKSUJKDBSA-N 1 0 302.422 2.338 10 0 DEAERO CCCC(=O)NCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000064864837 132494076 /nfs/dbraw/zinc/49/40/76/132494076.db2.gz RNWMYWREVJMVRQ-UHFFFAOYSA-N 1 0 317.433 2.180 10 0 DEAERO C[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccncc1 ZINC000174116010 132506932 /nfs/dbraw/zinc/50/69/32/132506932.db2.gz SFOVONHVGPHTQP-LSDHHAIUSA-N 1 0 302.422 2.270 10 0 DEAERO CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC([NH+](C)C)CC1 ZINC000175086628 132512516 /nfs/dbraw/zinc/51/25/16/132512516.db2.gz SSHUKMGZPOJHJE-KRWDZBQOSA-N 1 0 319.449 2.438 10 0 DEAERO CS(=O)(=O)NCCC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000231720425 132553713 /nfs/dbraw/zinc/55/37/13/132553713.db2.gz IIBWJRXMULHLER-UHFFFAOYSA-N 1 0 316.854 2.115 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@](C)(C[NH3+])C2CC2)sc1Cl ZINC000231810769 132553742 /nfs/dbraw/zinc/55/37/42/132553742.db2.gz QHCPZTXRDKXOCY-NSHDSACASA-N 1 0 308.856 2.116 10 0 DEAERO C/C(=C/c1nc([C@H]2C[NH2+]CCN2C)no1)c1ccc(F)cc1 ZINC000263238937 132578863 /nfs/dbraw/zinc/57/88/63/132578863.db2.gz OJENKUTWTXOHOD-RBJHHQRMSA-N 1 0 302.353 2.345 10 0 DEAERO C[NH+](C)CC[C@H](NC(=O)NCCOCC1CCC1)C(C)(C)C ZINC000562914979 292016131 /nfs/dbraw/zinc/01/61/31/292016131.db2.gz QIHAKXUJSOGOBS-HNNXBMFYSA-N 1 0 313.486 2.469 10 0 DEAERO Cc1nn(C)c(C)c1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000357798366 133100775 /nfs/dbraw/zinc/10/07/75/133100775.db2.gz IVBQRDIXZUKUML-CQSZACIVSA-N 1 0 305.426 2.129 10 0 DEAERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCCc2cn[nH]c2)C1 ZINC000357827979 133102747 /nfs/dbraw/zinc/10/27/47/133102747.db2.gz JFIDJJQQCKLABV-KBPBESRZSA-N 1 0 321.469 2.008 10 0 DEAERO COc1ccc(CNC(=O)NCC[N@H+]2CC=C(C)CC2)c(F)c1 ZINC000358162359 133125186 /nfs/dbraw/zinc/12/51/86/133125186.db2.gz HQEQFSUEZKRPAH-UHFFFAOYSA-N 1 0 321.396 2.286 10 0 DEAERO CCO[C@@H](CCNC(=O)NCC[N@H+]1CC=C(C)CC1)C(C)C ZINC000358198058 133127654 /nfs/dbraw/zinc/12/76/54/133127654.db2.gz PDVGHHSJBPLKOP-INIZCTEOSA-N 1 0 311.470 2.389 10 0 DEAERO c1ccc2c(c1)CC[C@H](C[NH+]1CCN(C[C@H]3CCOC3)CC1)C2 ZINC000359591336 133132667 /nfs/dbraw/zinc/13/26/67/133132667.db2.gz WCBLOZHLBSGXPX-ZWKOTPCHSA-N 1 0 314.473 2.446 10 0 DEAERO CCOC(=O)c1csc(CC[NH2+]CC2(OC)CCCC2)n1 ZINC000359670866 133138233 /nfs/dbraw/zinc/13/82/33/133138233.db2.gz GPAQFBFFAKFLCJ-UHFFFAOYSA-N 1 0 312.435 2.411 10 0 DEAERO COCCn1cc(C[NH+]2CCC(C3CCOCC3)CC2)cn1 ZINC000362386941 133227033 /nfs/dbraw/zinc/22/70/33/133227033.db2.gz YIDAAAGXTUXAOW-UHFFFAOYSA-N 1 0 307.438 2.168 10 0 DEAERO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC3(CCOCC3)[C@@H]2C)on1 ZINC000368217977 133265023 /nfs/dbraw/zinc/26/50/23/133265023.db2.gz CCJQTOXUGQJUSG-STQMWFEESA-N 1 0 307.394 2.201 10 0 DEAERO CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CC[NH+](C(C)C)CC1)C2 ZINC000373569691 133395786 /nfs/dbraw/zinc/39/57/86/133395786.db2.gz TXNKZZIGABULPD-AWEZNQCLSA-N 1 0 318.465 2.191 10 0 DEAERO Clc1nc(Cl)nc(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000062053249 134804670 /nfs/dbraw/zinc/80/46/70/134804670.db2.gz NSBPWTICSNTRKJ-UHFFFAOYSA-N 1 0 316.236 2.491 10 0 DEAERO NC(=O)c1ccc(Cl)cc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201383 134813605 /nfs/dbraw/zinc/81/36/05/134813605.db2.gz LFGZZEWMUJXLIS-AWEZNQCLSA-N 1 0 307.825 2.407 10 0 DEAERO c1cc2c(c(C[N@@H+]3CCC[C@H](N4CCOCC4)CC3)c1)NCC2 ZINC000563426124 292056810 /nfs/dbraw/zinc/05/68/10/292056810.db2.gz UCLVBWSWFFFIPA-SFHVURJKSA-N 1 0 315.461 2.341 10 0 DEAERO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000036954764 292066769 /nfs/dbraw/zinc/06/67/69/292066769.db2.gz XLTFEGWRVWTTFS-NEPJUHHUSA-N 1 0 314.451 2.188 10 0 DEAERO C[NH2+]C[C@@H]1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 ZINC000179022392 144869484 /nfs/dbraw/zinc/86/94/84/144869484.db2.gz RIHRUNDIXFJOAO-NSHDSACASA-N 1 0 306.793 2.184 10 0 DEAERO Cc1ccc(NC(=O)C2CC[NH+](C[C@](C)(O)C(C)C)CC2)nc1 ZINC000184966036 144953135 /nfs/dbraw/zinc/95/31/35/144953135.db2.gz APMCJSZNSUZFRG-SFHVURJKSA-N 1 0 319.449 2.448 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]CCCc2c[nH]nc2C)C12CCOCC2 ZINC000186234870 144978103 /nfs/dbraw/zinc/97/81/03/144978103.db2.gz AYOLPMHTWUHWAI-HOTGVXAUSA-N 1 0 307.438 2.215 10 0 DEAERO C[C@H](C[NH+]1CCCCCC1)NCc1ccc(C(=O)N(C)C)[nH]1 ZINC000187565322 145000860 /nfs/dbraw/zinc/00/08/60/145000860.db2.gz AVFBTNAOPNBNNS-CQSZACIVSA-N 1 0 306.454 2.071 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(-n3ccnc3)nc2)C1 ZINC000187908335 145005015 /nfs/dbraw/zinc/00/50/15/145005015.db2.gz VSALUCWHQQWYTF-WMLDXEAASA-N 1 0 300.406 2.250 10 0 DEAERO Cc1ccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc1-c1ncco1 ZINC000188638874 145015152 /nfs/dbraw/zinc/01/51/52/145015152.db2.gz XGERUXIHQYTRHT-UHFFFAOYSA-N 1 0 323.356 2.271 10 0 DEAERO O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CC[NH+]2CCC1CC2 ZINC000188642108 145015246 /nfs/dbraw/zinc/01/52/46/145015246.db2.gz QOABVIUMFLNYJS-ZIAGYGMSSA-N 1 0 306.356 2.375 10 0 DEAERO CCc1nn(C)c(CC)c1CC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000188705296 145016342 /nfs/dbraw/zinc/01/63/42/145016342.db2.gz QGRDBHPVEKUHPY-AWEZNQCLSA-N 1 0 320.481 2.030 10 0 DEAERO C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000189057018 145021535 /nfs/dbraw/zinc/02/15/35/145021535.db2.gz YLTLBWCIIDWAMV-AWEZNQCLSA-N 1 0 323.481 2.014 10 0 DEAERO CC(C)Oc1ccc(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000189147358 145023331 /nfs/dbraw/zinc/02/33/31/145023331.db2.gz KPQVFSJGIVSQSZ-MRXNPFEDSA-N 1 0 302.418 2.323 10 0 DEAERO O=C1CN(CCC[NH+]2CCCCC2)CCN1c1cccs1 ZINC000189208646 145024004 /nfs/dbraw/zinc/02/40/04/145024004.db2.gz APOHAMVKPFGCPO-UHFFFAOYSA-N 1 0 307.463 2.273 10 0 DEAERO CCOC(=O)CCCC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189665982 145031874 /nfs/dbraw/zinc/03/18/74/145031874.db2.gz TVFCZTGTFMMHLA-UHFFFAOYSA-N 1 0 320.437 2.143 10 0 DEAERO Cc1nn(C)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000189652443 145031992 /nfs/dbraw/zinc/03/19/92/145031992.db2.gz MSNIYSFRXXYZPT-CJNGLKHVSA-N 1 0 317.437 2.209 10 0 DEAERO CCc1nc(C2CCN(CC[NH+]3CCC(C)CC3)CC2)n[nH]1 ZINC000190698688 145046132 /nfs/dbraw/zinc/04/61/32/145046132.db2.gz BPSUESVVMLQMOR-UHFFFAOYSA-N 1 0 305.470 2.278 10 0 DEAERO COCCN(CC[NH+](C)C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191613886 145061475 /nfs/dbraw/zinc/06/14/75/145061475.db2.gz PTNGRNOTSRSWDV-UHFFFAOYSA-N 1 0 319.449 2.284 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)[C@H](C)[NH3+] ZINC000192096131 145070861 /nfs/dbraw/zinc/07/08/61/145070861.db2.gz RXHMZFIDRQRHGK-NEPJUHHUSA-N 1 0 309.373 2.342 10 0 DEAERO Cn1c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1-c1ccccc1 ZINC000192499165 145074398 /nfs/dbraw/zinc/07/43/98/145074398.db2.gz PHXWCQUHOVWXHX-IYBDPMFKSA-N 1 0 309.413 2.326 10 0 DEAERO 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312.841 2.236 10 0 DEAERO O=C(N[C@H]1CCCOC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000247808429 145144522 /nfs/dbraw/zinc/14/45/22/145144522.db2.gz UBFVVLWCFGPREC-RDJZCZTQSA-N 1 0 320.408 2.333 10 0 DEAERO CN(Cc1ccccc1)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247970874 145145030 /nfs/dbraw/zinc/14/50/30/145145030.db2.gz HIDXTOKKTRABBB-ZWKOTPCHSA-N 1 0 315.461 2.061 10 0 DEAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000248141109 145148807 /nfs/dbraw/zinc/14/88/07/145148807.db2.gz PRMCAJRRGKSMNF-ZAWLATJESA-N 1 0 317.477 2.433 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(C2CCC2)n1C ZINC000248391311 145152506 /nfs/dbraw/zinc/15/25/06/145152506.db2.gz UTMAXWLAJJVHQY-CABCVRRESA-N 1 0 303.454 2.141 10 0 DEAERO C[S@](=O)C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccccc1 ZINC000248564265 145159397 /nfs/dbraw/zinc/15/93/97/145159397.db2.gz KJLUNMJVBQTYQV-ORGXJRBJSA-N 1 0 315.438 2.354 10 0 DEAERO CC[C@H]1CN(CCC(=O)c2ccc(C)cc2)CC[N@@H+]1C[C@H](C)O ZINC000248572795 145159464 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CCO[C@@H]1C[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)C12CCOCC2 ZINC000249045991 145176510 /nfs/dbraw/zinc/17/65/10/145176510.db2.gz VVMHGXSETIEGIB-HYVNUMGLSA-N 1 0 322.449 2.446 10 0 DEAERO CO[C@@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)CC[C@@H]1C ZINC000249575323 145186779 /nfs/dbraw/zinc/18/67/79/145186779.db2.gz ABOGEKGVQZYEGK-WMLDXEAASA-N 1 0 302.418 2.323 10 0 DEAERO CCCC[C@H](C(=O)OC)[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249582746 145187455 /nfs/dbraw/zinc/18/74/55/145187455.db2.gz RUERBXPZWRGMDR-RBSFLKMASA-N 1 0 311.447 2.488 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000251691898 145195507 /nfs/dbraw/zinc/19/55/07/145195507.db2.gz IBXGMYBVZZVYJI-WFASDCNBSA-N 1 0 321.396 2.212 10 0 DEAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C2CC2)C1 ZINC000252006373 145198218 /nfs/dbraw/zinc/19/82/18/145198218.db2.gz XQBLJXAOHSUBRC-SZMVWBNQSA-N 1 0 313.445 2.408 10 0 DEAERO Cc1ccc(OCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1C ZINC000252443828 145198845 /nfs/dbraw/zinc/19/88/45/145198845.db2.gz PAWQQTHDTBZAGY-CVEARBPZSA-N 1 0 302.418 2.377 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCOc1ccc2c(c1)OCO2 ZINC000252443655 145199364 /nfs/dbraw/zinc/19/93/64/145199364.db2.gz NUOVKXRKIDVQOK-CABCVRRESA-N 1 0 318.417 2.353 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000252648877 145199898 /nfs/dbraw/zinc/19/98/98/145199898.db2.gz NLBMRGDFIXLMAD-CVEARBPZSA-N 1 0 318.465 2.482 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000261544203 145206211 /nfs/dbraw/zinc/20/62/11/145206211.db2.gz IOTWFWFTCLDYSW-RDJZCZTQSA-N 1 0 303.450 2.237 10 0 DEAERO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc(F)cc1Cl ZINC000261558561 145207694 /nfs/dbraw/zinc/20/76/94/145207694.db2.gz BFJJBBCDRVDINH-NSHDSACASA-N 1 0 308.806 2.131 10 0 DEAERO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(N)s1 ZINC000261599768 145209368 /nfs/dbraw/zinc/20/93/68/145209368.db2.gz AYOJRQPKGBQTKN-YOGCLGLASA-N 1 0 303.435 2.369 10 0 DEAERO C[C@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)OCCO2 ZINC000261626226 145211560 /nfs/dbraw/zinc/21/15/60/145211560.db2.gz CQRWYPVFYXIYFV-LRDDRELGSA-N 1 0 318.417 2.413 10 0 DEAERO CCCC(=O)N1CCC(c2nc(C3([NH3+])CCCC3)no2)CC1 ZINC000261630937 145212246 /nfs/dbraw/zinc/21/22/46/145212246.db2.gz CNEPQSIWWFIYFE-UHFFFAOYSA-N 1 0 306.410 2.304 10 0 DEAERO COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261668484 145215058 /nfs/dbraw/zinc/21/50/58/145215058.db2.gz FWKQPXOPZVUUKU-YJNKXOJESA-N 1 0 310.438 2.132 10 0 DEAERO COc1ccc(C)cc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261663530 145215078 /nfs/dbraw/zinc/21/50/78/145215078.db2.gz GIZWQSXFLKPXMM-YIONKMFJSA-N 1 0 317.433 2.157 10 0 DEAERO CCC(=O)c1ccc(OCc2nc(C[C@H](C)[NH2+]C)no2)cc1 ZINC000261675281 145215778 /nfs/dbraw/zinc/21/57/78/145215778.db2.gz GMKBCEVPEFPFBL-NSHDSACASA-N 1 0 303.362 2.392 10 0 DEAERO COCc1nc(CN(CC[NH3+])CCc2ccccc2)cs1 ZINC000261679943 145216052 /nfs/dbraw/zinc/21/60/52/145216052.db2.gz DAMDTXPPKKZQRP-UHFFFAOYSA-N 1 0 305.447 2.293 10 0 DEAERO C[C@H]1CCN(C(=O)CCc2nc3ccccc3o2)[C@H](C[NH3+])C1 ZINC000261693940 145217618 /nfs/dbraw/zinc/21/76/18/145217618.db2.gz FCELAYCBKWNXBL-STQMWFEESA-N 1 0 301.390 2.346 10 0 DEAERO CN(CC(=O)Nc1ccc2c(c1)CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261693619 145217778 /nfs/dbraw/zinc/21/77/78/145217778.db2.gz JHLVOEGKRWZHQH-JWTNVVGKSA-N 1 0 313.445 2.329 10 0 DEAERO CC1(C)C[N@H+](CCC(=O)N2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000261696630 145217883 /nfs/dbraw/zinc/21/78/83/145217883.db2.gz HVWZDKOJEIANBZ-OAHLLOKOSA-N 1 0 321.490 2.082 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)CSc1ccncc1 ZINC000261698925 145218191 /nfs/dbraw/zinc/21/81/91/145218191.db2.gz JGUYPLJLGWRNHX-UHFFFAOYSA-N 1 0 315.442 2.204 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261713005 145219201 /nfs/dbraw/zinc/21/92/01/145219201.db2.gz PHBMNFVTQPNDNH-QWHCGFSZSA-N 1 0 314.426 2.190 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)Cc1nc(-c2ccco2)no1 ZINC000261737314 145221841 /nfs/dbraw/zinc/22/18/41/145221841.db2.gz KEZMKHBANKLTHW-UHFFFAOYSA-N 1 0 312.373 2.333 10 0 DEAERO C[NH2+][C@@H](C)CNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000261746180 145222690 /nfs/dbraw/zinc/22/26/90/145222690.db2.gz NAHSZIXPIXWDTP-LBPRGKRZSA-N 1 0 317.437 2.473 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000261754742 145222896 /nfs/dbraw/zinc/22/28/96/145222896.db2.gz NAPQUOIPKAXLBW-XJKCOSOUSA-N 1 0 324.371 2.240 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc(C)c1F ZINC000261756155 145223459 /nfs/dbraw/zinc/22/34/59/145223459.db2.gz LMGAMKIJJRSENQ-CYBMUJFWSA-N 1 0 314.426 2.190 10 0 DEAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cncc(F)c1 ZINC000261767627 145224051 /nfs/dbraw/zinc/22/40/51/145224051.db2.gz RVKXDINFLBBLPV-MRXNPFEDSA-N 1 0 301.365 2.376 10 0 DEAERO Cc1ccc(C)c(NC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261768664 145224245 /nfs/dbraw/zinc/22/42/45/145224245.db2.gz OPXLRKUBXNJNGO-SFHVURJKSA-N 1 0 324.428 2.283 10 0 DEAERO CC1(C)CN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000261775456 145224724 /nfs/dbraw/zinc/22/47/24/145224724.db2.gz SOBAXCMVPPIIQT-HOTGVXAUSA-N 1 0 319.424 2.205 10 0 DEAERO Cc1ccc(CSCCNC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261776126 145224743 /nfs/dbraw/zinc/22/47/43/145224743.db2.gz MPVQPOCHGFBHMQ-INIZCTEOSA-N 1 0 322.474 2.098 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2ccc(Cl)cc2F)CC[C@H]1[NH3+] ZINC000261776213 145224892 /nfs/dbraw/zinc/22/48/92/145224892.db2.gz PCLPXQIXVXPXDI-GFCCVEGCSA-N 1 0 320.817 2.227 10 0 DEAERO CC1(C)CN([C@H](C(=O)NC2CC2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000261802513 145228072 /nfs/dbraw/zinc/22/80/72/145228072.db2.gz VYQLTCNXLPXHHG-HOTGVXAUSA-N 1 0 301.434 2.066 10 0 DEAERO C[C@H]([NH3+])CC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000261812794 145229297 /nfs/dbraw/zinc/22/92/97/145229297.db2.gz HCBWCMJKGSMJHV-ZETCQYMHSA-N 1 0 314.176 2.250 10 0 DEAERO CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)C2 ZINC000261814411 145229995 /nfs/dbraw/zinc/22/99/95/145229995.db2.gz MCQIMTSDJDOYAD-UONOGXRCSA-N 1 0 318.465 2.001 10 0 DEAERO COc1ccc(OC)c(CCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261847458 145232768 /nfs/dbraw/zinc/23/27/68/145232768.db2.gz MCGPKYIOGAVCNW-MRXNPFEDSA-N 1 0 320.433 2.222 10 0 DEAERO O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)c1cccc(Cl)c1 ZINC000261857108 145234681 /nfs/dbraw/zinc/23/46/81/145234681.db2.gz BSVCZDKNFLCIIL-WCXIOVBPSA-N 1 0 324.852 2.120 10 0 DEAERO CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261884035 145237724 /nfs/dbraw/zinc/23/77/24/145237724.db2.gz FROMTNRFCABANZ-DAXOMENPSA-N 1 0 307.438 2.046 10 0 DEAERO COc1cc(N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc(OC)c1 ZINC000261888056 145238077 /nfs/dbraw/zinc/23/80/77/145238077.db2.gz GDQMBRSSCRDPSK-GVDBMIGSSA-N 1 0 306.406 2.273 10 0 DEAERO CCc1cnc(N2CCN(C(=O)C(CC)(CC)C[NH3+])CC2)s1 ZINC000261896047 145238951 /nfs/dbraw/zinc/23/89/51/145238951.db2.gz VZHBSMKPNGNZJE-UHFFFAOYSA-N 1 0 324.494 2.119 10 0 DEAERO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261920922 145241703 /nfs/dbraw/zinc/24/17/03/145241703.db2.gz YUMUJQXCSKMLDB-RWMBFGLXSA-N 1 0 324.371 2.190 10 0 DEAERO c1c(CN2CC[NH2+]C[C@@H]2c2ccncc2)[nH]nc1-c1cccnc1 ZINC000261921309 145242140 /nfs/dbraw/zinc/24/21/40/145242140.db2.gz BREKKODWZDCAKX-GOSISDBHSA-N 1 0 320.400 2.013 10 0 DEAERO [NH3+]C1(C(=O)Nc2cccc(Oc3ccncc3)c2)CCOCC1 ZINC000261922526 145242658 /nfs/dbraw/zinc/24/26/58/145242658.db2.gz VEPFDPDKPNGCGH-UHFFFAOYSA-N 1 0 313.357 2.320 10 0 DEAERO O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000261935504 145244244 /nfs/dbraw/zinc/24/42/44/145244244.db2.gz ZKYBWBYWIBGVDP-OCCSQVGLSA-N 1 0 318.421 2.043 10 0 DEAERO CN(Cc1nccs1)[C@@H]1CC12CCN(CC(C)(C)[NH3+])CC2 ZINC000261941792 145244857 /nfs/dbraw/zinc/24/48/57/145244857.db2.gz MUHALBCOCKPXJD-CYBMUJFWSA-N 1 0 308.495 2.167 10 0 DEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261951702 145246626 /nfs/dbraw/zinc/24/66/26/145246626.db2.gz PXELZSKPSXNBBV-SJORKVTESA-N 1 0 316.445 2.267 10 0 DEAERO c1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)CC2)cc1 ZINC000261961623 145247356 /nfs/dbraw/zinc/24/73/56/145247356.db2.gz PQYPASYQXMKVFS-RCCFBDPRSA-N 1 0 300.446 2.465 10 0 DEAERO COCC[C@]1(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)CC[NH2+]C1 ZINC000261968125 145247675 /nfs/dbraw/zinc/24/76/75/145247675.db2.gz SYKFBJBAJPNWPP-HNAYVOBHSA-N 1 0 318.461 2.485 10 0 DEAERO COCC[C@@]1(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)CC[NH2+]C1 ZINC000261968129 145247838 /nfs/dbraw/zinc/24/78/38/145247838.db2.gz SYKFBJBAJPNWPP-KXBFYZLASA-N 1 0 318.461 2.485 10 0 DEAERO CN(Cc1ccc(F)cc1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261973995 145248833 /nfs/dbraw/zinc/24/88/33/145248833.db2.gz ZJYWFYKKGDZVSU-HDMKZQKVSA-N 1 0 320.408 2.317 10 0 DEAERO Clc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000262005608 145252123 /nfs/dbraw/zinc/25/21/23/145252123.db2.gz UYSSFFKPKDYILY-BBWFWOEESA-N 1 0 324.852 2.466 10 0 DEAERO C[C@@]1(C[NH3+])CCN(C(=O)c2cccc(Nc3cnccn3)c2)C1 ZINC000262004796 145252389 /nfs/dbraw/zinc/25/23/89/145252389.db2.gz NTBRAWYZQPLVBP-KRWDZBQOSA-N 1 0 311.389 2.031 10 0 DEAERO Fc1ccc(F)c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000262016250 145253808 /nfs/dbraw/zinc/25/38/08/145253808.db2.gz WAUQMYKMJNZLBK-DJIMGWMZSA-N 1 0 310.388 2.254 10 0 DEAERO C[C@H](C(=O)Nc1ccnn1Cc1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000262028243 145254653 /nfs/dbraw/zinc/25/46/53/145254653.db2.gz DPDBWBXJVMIHRA-NSHDSACASA-N 1 0 318.808 2.379 10 0 DEAERO Fc1cccc(F)c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000262053914 145257564 /nfs/dbraw/zinc/25/75/64/145257564.db2.gz ZXVGACKZLKXNCW-KBRIMQKVSA-N 1 0 310.388 2.254 10 0 DEAERO COc1ccc(C2CCN(C(=O)[C@@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000262060164 145258270 /nfs/dbraw/zinc/25/82/70/145258270.db2.gz IJVZBDVJEUABKC-ZDUSSCGKSA-N 1 0 302.418 2.257 10 0 DEAERO CC(C)CC1(CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CCC1 ZINC000262101946 145261729 /nfs/dbraw/zinc/26/17/29/145261729.db2.gz DTVBQHOXZMAFIU-CVEARBPZSA-N 1 0 318.465 2.056 10 0 DEAERO CSc1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1NC(C)=O ZINC000262125024 145263937 /nfs/dbraw/zinc/26/39/37/145263937.db2.gz WKNYFJRYWUKSBR-INIZCTEOSA-N 1 0 321.446 2.178 10 0 DEAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ccc2c(c1)CCCC2 ZINC000262139082 145265375 /nfs/dbraw/zinc/26/53/75/145265375.db2.gz MESQNVDGQAHBPE-CYBMUJFWSA-N 1 0 302.418 2.251 10 0 DEAERO O=C(C[C@@H]1COCC[NH2+]1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000262161681 145267113 /nfs/dbraw/zinc/26/71/13/145267113.db2.gz JFSNNWZGJMUPQN-ZBFHGGJFSA-N 1 0 308.809 2.286 10 0 DEAERO C[C@H]1CCC[C@H](CCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262281453 145273681 /nfs/dbraw/zinc/27/36/81/145273681.db2.gz NYWODAJYNSXIBQ-JKSUJKDBSA-N 1 0 318.465 2.294 10 0 DEAERO Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262334710 145277167 /nfs/dbraw/zinc/27/71/67/145277167.db2.gz SOVTTXRNAZVQBJ-BBRMVZONSA-N 1 0 324.380 2.205 10 0 DEAERO C[C@H](C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1)C1C[NH2+]C1 ZINC000262343628 145278048 /nfs/dbraw/zinc/27/80/48/145278048.db2.gz IDXDVKMRKXOYGX-LBPRGKRZSA-N 1 0 321.384 2.190 10 0 DEAERO CC[C@H](CC(=O)Nc1nc(C2CC[NH2+]CC2)nn1C)C(C)C ZINC000262356367 145278675 /nfs/dbraw/zinc/27/86/75/145278675.db2.gz JLZUCLRIKDGLSN-GFCCVEGCSA-N 1 0 307.442 2.293 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000262379457 145280027 /nfs/dbraw/zinc/28/00/27/145280027.db2.gz YNGBFSYDNUFBHW-JHNDHUHGSA-N 1 0 302.418 2.350 10 0 DEAERO COc1ccc(Cc2noc([C@@H]3CC[C@@H]([NH3+])C3)n2)cc1OC ZINC000262390215 145280984 /nfs/dbraw/zinc/28/09/84/145280984.db2.gz ZRUWZJQWCMSUOU-VXGBXAGGSA-N 1 0 303.362 2.272 10 0 DEAERO CCO[C@H](C)c1nc(CN(C)C(=O)[C@@H](C)C2C[NH2+]C2)cs1 ZINC000262394706 145281426 /nfs/dbraw/zinc/28/14/26/145281426.db2.gz OSDBSXOIKJREIY-WDEREUQCSA-N 1 0 311.451 2.055 10 0 DEAERO CC1CCC(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000262464640 145285911 /nfs/dbraw/zinc/28/59/11/145285911.db2.gz IVTKFTLGZOMEPF-LJQAXIPVSA-N 1 0 308.466 2.461 10 0 DEAERO C[C@H]1CCN(Cc2nc(-c3ccc(F)cc3)no2)[C@@H](C[NH3+])C1 ZINC000262492327 145287703 /nfs/dbraw/zinc/28/77/03/145287703.db2.gz LCXBEERSPNKCGL-SMDDNHRTSA-N 1 0 304.369 2.435 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000262565404 145293419 /nfs/dbraw/zinc/29/34/19/145293419.db2.gz CLLRJOWWLFGXFQ-CJNGLKHVSA-N 1 0 320.481 2.284 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c(Cl)cc1F ZINC000262761176 145303256 /nfs/dbraw/zinc/30/32/56/145303256.db2.gz RQCATIPEMXKNCH-UHFFFAOYSA-N 1 0 322.833 2.393 10 0 DEAERO C[C@H]1[NH2+]CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)[C@@H]1C ZINC000262787914 145305319 /nfs/dbraw/zinc/30/53/19/145305319.db2.gz MQABGMXTYMLVOK-VXGBXAGGSA-N 1 0 318.808 2.348 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000263062531 145322126 /nfs/dbraw/zinc/32/21/26/145322126.db2.gz HWAXBRPLMLURGP-ROUUACIJSA-N 1 0 314.429 2.499 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(C[C@@H]2CCCc3ccccc32)n1 ZINC000263153301 145330108 /nfs/dbraw/zinc/33/01/08/145330108.db2.gz DFBAEUBROJLRPL-HOCLYGCPSA-N 1 0 312.417 2.308 10 0 DEAERO C[C@H](Cc1ccccc1F)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263227210 145338474 /nfs/dbraw/zinc/33/84/74/145338474.db2.gz MZLSMISFBVSHJN-BXUZGUMPSA-N 1 0 304.369 2.131 10 0 DEAERO CC(C)OCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309919205 145350527 /nfs/dbraw/zinc/35/05/27/145350527.db2.gz PYHQWQUJVNFFHV-OKZBNKHCSA-N 1 0 316.445 2.438 10 0 DEAERO CC[C@H](C)[NH2+][C@@H](CNC(=O)Cn1nc(C)cc1C)c1ccco1 ZINC000359536805 147346805 /nfs/dbraw/zinc/34/68/05/147346805.db2.gz KOZSZTROZKRKQC-WFASDCNBSA-N 1 0 318.421 2.339 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374548279 148260218 /nfs/dbraw/zinc/26/02/18/148260218.db2.gz JRXMAJWWZIESPQ-RRFJBIMHSA-N 1 0 319.453 2.164 10 0 DEAERO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000375003363 148314506 /nfs/dbraw/zinc/31/45/06/148314506.db2.gz VHDBDPDIWPXHEA-OAHLLOKOSA-N 1 0 321.469 2.171 10 0 DEAERO C/C(=C\C(C)(C)C)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000375378316 148365311 /nfs/dbraw/zinc/36/53/11/148365311.db2.gz IXVSXSRVMAZCLM-QJPKHSJYSA-N 1 0 307.482 2.217 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)ccn1 ZINC000375466075 148376753 /nfs/dbraw/zinc/37/67/53/148376753.db2.gz RWBHITCQHKEDES-CYBMUJFWSA-N 1 0 300.362 2.340 10 0 DEAERO O=C1OCC[C@@H]1CC[NH+]1CCC(c2ccccc2CO)CC1 ZINC000375571881 148386934 /nfs/dbraw/zinc/38/69/34/148386934.db2.gz QGINRBWLQGUJMH-HNNXBMFYSA-N 1 0 303.402 2.312 10 0 DEAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn3c2CCCC3)C1 ZINC000127206598 401724987 /nfs/dbraw/zinc/72/49/87/401724987.db2.gz NVOJCEQNIBJFSN-AWEZNQCLSA-N 1 0 318.465 2.460 10 0 DEAERO CC(C)COC1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000127323103 401729404 /nfs/dbraw/zinc/72/94/04/401729404.db2.gz PCZLBUMIWYBKBY-HUUCEWRRSA-N 1 0 323.481 2.458 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cn(C)nc2C(C)(C)C)[C@@H](C)C1 ZINC000127568165 401740472 /nfs/dbraw/zinc/74/04/72/401740472.db2.gz GLGJNVUVDVYAGL-JSGCOSHPSA-N 1 0 306.454 2.176 10 0 DEAERO CCc1nc(CN2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000111212988 401701127 /nfs/dbraw/zinc/70/11/27/401701127.db2.gz GGPYHGWXFMGAJU-CYBMUJFWSA-N 1 0 301.394 2.269 10 0 DEAERO CC(C)[C@H](C)NC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000072075212 401703028 /nfs/dbraw/zinc/70/30/28/401703028.db2.gz UMNQQZPNTKAKTR-HNNXBMFYSA-N 1 0 318.465 2.432 10 0 DEAERO COc1ccccc1[C@H](C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000008037184 401747601 /nfs/dbraw/zinc/74/76/01/401747601.db2.gz GDXAYOXJFVGLPW-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO O[C@H](C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccc(F)cc1 ZINC000111302418 401710079 /nfs/dbraw/zinc/71/00/79/401710079.db2.gz HKPAHDBHAIYYDQ-QZTJIDSGSA-N 1 0 322.424 2.046 10 0 DEAERO Fc1cccc(C[NH2+]CCCn2ccnn2)c1Br ZINC000126939858 401714542 /nfs/dbraw/zinc/71/45/42/401714542.db2.gz VJGAKPFXDYUVLU-UHFFFAOYSA-N 1 0 313.174 2.360 10 0 DEAERO Cc1cc(C)n2c(CN3CCC([NH+]4CCCC4)CC3)cnc2n1 ZINC000127733581 401748102 /nfs/dbraw/zinc/74/81/02/401748102.db2.gz CKRLNYJLBYMQMD-UHFFFAOYSA-N 1 0 313.449 2.406 10 0 DEAERO CN1CCN(C(=O)CC2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000112698127 401754597 /nfs/dbraw/zinc/75/45/97/401754597.db2.gz PNGIHJDBFBLABM-UHFFFAOYSA-N 1 0 309.498 2.299 10 0 DEAERO C[NH+]1CCC2(C[N@H+](Cc3cccc(F)c3)C[C@@H]2C(=O)[O-])CC1 ZINC000008698698 401755233 /nfs/dbraw/zinc/75/52/33/401755233.db2.gz DONOYJCICJJXKT-OAHLLOKOSA-N 1 0 306.381 2.054 10 0 DEAERO O=C(Nc1nccs1)[C@H]1CCCN1CC[NH+]1CCCCC1 ZINC000077313004 401809313 /nfs/dbraw/zinc/80/93/13/401809313.db2.gz RDHVMKMSTHPHIY-CYBMUJFWSA-N 1 0 308.451 2.032 10 0 DEAERO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1(C)COC1 ZINC000112716369 401755920 /nfs/dbraw/zinc/75/59/20/401755920.db2.gz BUXKKJAXIWWWJD-UHFFFAOYSA-N 1 0 319.449 2.363 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2cc(Cl)cn2C)C1 ZINC000128077414 401761943 /nfs/dbraw/zinc/76/19/43/401761943.db2.gz NJNGOFISQQXRBH-CYBMUJFWSA-N 1 0 312.845 2.304 10 0 DEAERO CSc1ccc(OCC[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000075714596 401766783 /nfs/dbraw/zinc/76/67/83/401766783.db2.gz QIGQLLHVXSZQES-QWHCGFSZSA-N 1 0 308.447 2.373 10 0 DEAERO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000075831427 401769706 /nfs/dbraw/zinc/76/97/06/401769706.db2.gz NALPMJFPXXWTHC-OAHLLOKOSA-N 1 0 320.437 2.389 10 0 DEAERO CCOc1ncc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1Cl ZINC000113222465 401770889 /nfs/dbraw/zinc/77/08/89/401770889.db2.gz QDRPFFRPPULLGQ-AAEUAGOBSA-N 1 0 323.824 2.442 10 0 DEAERO COc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1OC ZINC000113229321 401771859 /nfs/dbraw/zinc/77/18/59/401771859.db2.gz AYKGCWKLOQRWSC-QWHCGFSZSA-N 1 0 304.390 2.013 10 0 DEAERO Cc1ccc(NC(=O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000113270064 401773987 /nfs/dbraw/zinc/77/39/87/401773987.db2.gz LYTONQBTULODCZ-DOTOQJQBSA-N 1 0 301.434 2.410 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)c2csc(NCC)n2)CC1 ZINC000128639580 401786056 /nfs/dbraw/zinc/78/60/56/401786056.db2.gz BTJNATSDWHSFMQ-UHFFFAOYSA-N 1 0 310.467 2.427 10 0 DEAERO Cc1ccccc1[C@H](C)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114015812 401789328 /nfs/dbraw/zinc/78/93/28/401789328.db2.gz QEJASCUUEUGDNZ-HNNXBMFYSA-N 1 0 319.449 2.466 10 0 DEAERO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000130259012 401824935 /nfs/dbraw/zinc/82/49/35/401824935.db2.gz OGCUVRDVLSXOSR-DLBZAZTESA-N 1 0 301.365 2.202 10 0 DEAERO CC(C)(CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccncc1 ZINC000130266028 401825160 /nfs/dbraw/zinc/82/51/60/401825160.db2.gz GUIVWLFZQOGYNS-INIZCTEOSA-N 1 0 314.433 2.015 10 0 DEAERO CC(C)CC[C@](C)(O)CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000077774341 401830149 /nfs/dbraw/zinc/83/01/49/401830149.db2.gz NRUBXFFCXXADSJ-KRWDZBQOSA-N 1 0 313.486 2.205 10 0 DEAERO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000077772765 401830219 /nfs/dbraw/zinc/83/02/19/401830219.db2.gz ZKOZGNOFKIWBPF-GJZGRUSLSA-N 1 0 321.465 2.345 10 0 DEAERO Cc1nnc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000115635903 401834429 /nfs/dbraw/zinc/83/44/29/401834429.db2.gz SIZXMGDNPXQDHK-UHFFFAOYSA-N 1 0 323.397 2.369 10 0 DEAERO COc1cc(C[NH2+]Cc2ccnn2C)c(SC)cc1OC ZINC000077988933 401837653 /nfs/dbraw/zinc/83/76/53/401837653.db2.gz XWPURWXQXUPZDI-UHFFFAOYSA-N 1 0 307.419 2.449 10 0 DEAERO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1c(F)cccc1Cl ZINC000130954976 401841399 /nfs/dbraw/zinc/84/13/99/401841399.db2.gz ANRORYJBKMIFLZ-UHFFFAOYSA-N 1 0 322.833 2.345 10 0 DEAERO CN1CC[C@@H]([N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)C1=O ZINC000116281043 401847810 /nfs/dbraw/zinc/84/78/10/401847810.db2.gz QNXHJKYBSBOPML-DOTOQJQBSA-N 1 0 324.428 2.487 10 0 DEAERO O=C(Cc1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932844 401848871 /nfs/dbraw/zinc/84/88/71/401848871.db2.gz NQFRFUDIHZJSCF-AWEZNQCLSA-N 1 0 323.234 2.298 10 0 DEAERO COC(=O)c1cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)oc1C ZINC000116314964 401849579 /nfs/dbraw/zinc/84/95/79/401849579.db2.gz XKKUMOCGBAAOLU-LBPRGKRZSA-N 1 0 303.362 2.098 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000116788393 401858972 /nfs/dbraw/zinc/85/89/72/401858972.db2.gz DNHNUVDKSQJSJU-NSHDSACASA-N 1 0 317.216 2.396 10 0 DEAERO C[C@H]1CCc2c(C(=O)N3CCO[C@H](C[NH+](C)C)C3)csc2C1 ZINC000116791782 401859038 /nfs/dbraw/zinc/85/90/38/401859038.db2.gz APGMEYVXJXDXMM-QWHCGFSZSA-N 1 0 322.474 2.276 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnn(CC(F)F)c1 ZINC000116930379 401864834 /nfs/dbraw/zinc/86/48/34/401864834.db2.gz GZZVCZMFVMDQAS-LLVKDONJSA-N 1 0 315.368 2.144 10 0 DEAERO CCCC1CCC(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000117038505 401867880 /nfs/dbraw/zinc/86/78/80/401867880.db2.gz OIWBDPOJJGCXRS-UYSNPLJNSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)CSCc2cscn2)CC[N@@H+]1C ZINC000132538589 401869080 /nfs/dbraw/zinc/86/90/80/401869080.db2.gz RSRNEVPRSPYIAK-WCQYABFASA-N 1 0 313.492 2.317 10 0 DEAERO CC(C)COC1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000077395113 401814099 /nfs/dbraw/zinc/81/40/99/401814099.db2.gz LCZQFQVLYXXKFW-UHFFFAOYSA-N 1 0 315.417 2.332 10 0 DEAERO CC[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)CC[N@@H+]1CCOC ZINC000135102515 401926947 /nfs/dbraw/zinc/92/69/47/401926947.db2.gz MHLLRWIINWQUHA-CQSZACIVSA-N 1 0 318.408 2.381 10 0 DEAERO COc1ccc2c(c1)C=C(C(=O)N1CCC([NH+](C)C)CC1)CO2 ZINC000087332180 401931199 /nfs/dbraw/zinc/93/11/99/401931199.db2.gz FFTCKNKOADZQGN-UHFFFAOYSA-N 1 0 316.401 2.024 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2cccc(F)c2)CC[N@@H+]1CCOC ZINC000117399109 401876347 /nfs/dbraw/zinc/87/63/47/401876347.db2.gz KYNHZPGWHMBLQJ-HNNXBMFYSA-N 1 0 309.385 2.400 10 0 DEAERO CCCCCSCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000117943975 401887891 /nfs/dbraw/zinc/88/78/91/401887891.db2.gz LVDNHNGYANARKQ-OAHLLOKOSA-N 1 0 316.511 2.383 10 0 DEAERO CCc1cnc(CCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000080532178 401890170 /nfs/dbraw/zinc/89/01/70/401890170.db2.gz CBITXGMBPUDVLI-CYBMUJFWSA-N 1 0 322.478 2.128 10 0 DEAERO Cc1cccc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000035230410 401897090 /nfs/dbraw/zinc/89/70/90/401897090.db2.gz PJOQCILMFZGPPV-CYBMUJFWSA-N 1 0 304.415 2.493 10 0 DEAERO C[C@H]([NH2+]Cc1ccccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000035230355 401897108 /nfs/dbraw/zinc/89/71/08/401897108.db2.gz UYQANRROWSCQRM-NSHDSACASA-N 1 0 308.378 2.324 10 0 DEAERO CCOC(=O)CC[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083402937 401901256 /nfs/dbraw/zinc/90/12/56/401901256.db2.gz SVLAOOOIWBWSOA-ZDUSSCGKSA-N 1 0 307.390 2.446 10 0 DEAERO CCC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1ccccc1C ZINC000036104377 401902517 /nfs/dbraw/zinc/90/25/17/401902517.db2.gz NQGLFDSJGWASPX-LJQANCHMSA-N 1 0 320.477 2.290 10 0 DEAERO CC[NH+](CC)CCNC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000134606101 401908732 /nfs/dbraw/zinc/90/87/32/401908732.db2.gz XEKYULWLRUZLOZ-CYBMUJFWSA-N 1 0 311.451 2.173 10 0 DEAERO CCOc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000118808873 401909096 /nfs/dbraw/zinc/90/90/96/401909096.db2.gz JFXOLXLMLNKRCJ-HNNXBMFYSA-N 1 0 321.421 2.188 10 0 DEAERO C[C@H]([NH2+]CCc1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000037211792 401911378 /nfs/dbraw/zinc/91/13/78/401911378.db2.gz XMDIVJDJFHIYFR-NSHDSACASA-N 1 0 310.444 2.289 10 0 DEAERO O=C(c1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037503242 401914638 /nfs/dbraw/zinc/91/46/38/401914638.db2.gz ALVVEJBBQCEHFW-CYBMUJFWSA-N 1 0 309.207 2.369 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000118979671 401916655 /nfs/dbraw/zinc/91/66/55/401916655.db2.gz WZTKXUXSXAGANP-WBMJQRKESA-N 1 0 318.421 2.495 10 0 DEAERO CCNC(=O)CC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134842914 401916689 /nfs/dbraw/zinc/91/66/89/401916689.db2.gz WZUATXUSJIBJSS-HNNXBMFYSA-N 1 0 306.381 2.389 10 0 DEAERO COC(=O)C[C@H]([NH3+])c1cc(OC)c(OC)cc1Br ZINC000037754943 401916977 /nfs/dbraw/zinc/91/69/77/401916977.db2.gz NVHNTVBCNLKQPD-VIFPVBQESA-N 1 0 318.167 2.029 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1cc(F)ccc1Br ZINC000085903321 401919683 /nfs/dbraw/zinc/91/96/83/401919683.db2.gz WYKYUQWBKWJFIV-ZDUSSCGKSA-N 1 0 320.202 2.465 10 0 DEAERO O=c1c(C[NH2+]CCN2CCCC2)cc2cccc3c2n1CCC3 ZINC000039287264 401923953 /nfs/dbraw/zinc/92/39/53/401923953.db2.gz OBYDNYJWCRLTEH-UHFFFAOYSA-N 1 0 311.429 2.133 10 0 DEAERO O=S(=O)([C@H]1CC[N@H+](CC2CCCCC2)C1)N1CCCC1 ZINC000135750269 401952554 /nfs/dbraw/zinc/95/25/54/401952554.db2.gz ZBKRQXCTRCDBCZ-HNNXBMFYSA-N 1 0 300.468 2.067 10 0 DEAERO COCCC1(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCC1 ZINC000119510252 401955506 /nfs/dbraw/zinc/95/55/06/401955506.db2.gz WJEFOWMEYDHZOE-OAHLLOKOSA-N 1 0 309.454 2.073 10 0 DEAERO CCC[C@H](C(=O)NCc1cccc(N2CCCC2=O)c1)[NH+](C)C ZINC000135959975 401955992 /nfs/dbraw/zinc/95/59/92/401955992.db2.gz NZWDQUBAAZJUDQ-MRXNPFEDSA-N 1 0 317.433 2.160 10 0 DEAERO C[C@@H]1CN(C(=O)c2cccc(Br)c2)C[C@H]1[NH+](C)C ZINC000089710236 401958590 /nfs/dbraw/zinc/95/85/90/401958590.db2.gz NLRMQUCOWWOYDK-ZWNOBZJWSA-N 1 0 311.223 2.471 10 0 DEAERO COc1ccc(COCCCC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000089782200 401962846 /nfs/dbraw/zinc/96/28/46/401962846.db2.gz SYAVWKLTKMMCAY-INIZCTEOSA-N 1 0 320.433 2.202 10 0 DEAERO Cn1cc(CN2CCC[N@H+](CCc3ccccc3F)CC2)cn1 ZINC000137595355 401984997 /nfs/dbraw/zinc/98/49/97/401984997.db2.gz MSZBKTSOULRGBV-UHFFFAOYSA-N 1 0 316.424 2.310 10 0 DEAERO COc1ccc([C@H](C)NC(=O)NC2CC[NH+](C)CC2)c(OC)c1 ZINC000047885922 401990271 /nfs/dbraw/zinc/99/02/71/401990271.db2.gz XRNSGDDUCHTPDR-LBPRGKRZSA-N 1 0 321.421 2.158 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)NCCCC[NH+]2CCOCC2)o1 ZINC000048060892 401993300 /nfs/dbraw/zinc/99/33/00/401993300.db2.gz BNXWQJXQDVHZIG-CQSZACIVSA-N 1 0 309.410 2.061 10 0 DEAERO COc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000150808704 401996418 /nfs/dbraw/zinc/99/64/18/401996418.db2.gz JAGMOIBTCKPCHI-CQSZACIVSA-N 1 0 318.417 2.491 10 0 DEAERO CCc1cccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000043333199 401938041 /nfs/dbraw/zinc/93/80/41/401938041.db2.gz ZRQUVOMUBQFZEL-MRXNPFEDSA-N 1 0 305.422 2.217 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccc(Cl)nc1 ZINC000119320061 401941259 /nfs/dbraw/zinc/94/12/59/401941259.db2.gz OWCWCNYJYMGIFP-TZMCWYRMSA-N 1 0 322.840 2.156 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(-c2cccnc2)on1 ZINC000044532614 401944978 /nfs/dbraw/zinc/94/49/78/401944978.db2.gz MCTXYNYIPKWFLW-CYBMUJFWSA-N 1 0 314.389 2.341 10 0 DEAERO C[C@@H](NC(=O)[C@H](C)Oc1cccc(CO)c1)C(C)(C)C[NH+](C)C ZINC000119401209 401947586 /nfs/dbraw/zinc/94/75/86/401947586.db2.gz AQOXDLBIFUSFRN-UONOGXRCSA-N 1 0 322.449 2.039 10 0 DEAERO CCC[C@H](C(=O)NC[C@@H](C)N1CCc2sccc2C1)[NH+](C)C ZINC000135635622 401949027 /nfs/dbraw/zinc/94/90/27/401949027.db2.gz RQFIIIDGELAAAR-UKRRQHHQSA-N 1 0 323.506 2.341 10 0 DEAERO O=C(COc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073363 402011666 /nfs/dbraw/zinc/01/16/66/402011666.db2.gz UJGXFGBRFVFTKE-UHFFFAOYSA-N 1 0 302.418 2.400 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(OC(C)C)nc1 ZINC000049132416 402013304 /nfs/dbraw/zinc/01/33/04/402013304.db2.gz RNRMTNXCXHPXET-AWEZNQCLSA-N 1 0 322.453 2.398 10 0 DEAERO CC(C)CCn1cccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000121100129 402015140 /nfs/dbraw/zinc/01/51/40/402015140.db2.gz YXAUXYITXARNBG-GOSISDBHSA-N 1 0 305.466 2.441 10 0 DEAERO Cc1ccc([C@@H](CNC(=O)CCc2ccnn2C)[NH+](C)C)cc1 ZINC000121142042 402017320 /nfs/dbraw/zinc/01/73/20/402017320.db2.gz AKIBDRXUQFCELY-QGZVFWFLSA-N 1 0 314.433 2.080 10 0 DEAERO [NH3+]C1(C(=O)NCc2cc(F)ccc2F)Cc2ccccc2C1 ZINC000151133160 402018311 /nfs/dbraw/zinc/01/83/11/402018311.db2.gz TZYXLELNPAWSMQ-UHFFFAOYSA-N 1 0 302.324 2.077 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)c2cccc(O)c2)C1 ZINC000121279544 402025327 /nfs/dbraw/zinc/02/53/27/402025327.db2.gz FJFJCLTZCXZVTQ-WWGRRREGSA-N 1 0 305.422 2.481 10 0 DEAERO COc1ccc2c(c1)[C@@H](NC[C@H](O)C[NH+]1CCCCC1)CC2 ZINC000151273382 402027365 /nfs/dbraw/zinc/02/73/65/402027365.db2.gz LSWRRADQHHKCFR-YJBOKZPZSA-N 1 0 304.434 2.119 10 0 DEAERO CCCCCNC(=O)CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000121343834 402029621 /nfs/dbraw/zinc/02/96/21/402029621.db2.gz FPXDWFHHNUPUFJ-MRXNPFEDSA-N 1 0 317.433 2.030 10 0 DEAERO O[C@H](CN[C@@H]1CSCCc2ccccc21)C[NH+]1CCCCC1 ZINC000151324240 402029584 /nfs/dbraw/zinc/02/95/84/402029584.db2.gz UFSQYTIXDUSHPL-SJLPKXTDSA-N 1 0 320.502 2.453 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC(C)(C)C ZINC000151504395 402040272 /nfs/dbraw/zinc/04/02/72/402040272.db2.gz FSRMZDHOOLRDID-ZFWWWQNUSA-N 1 0 304.438 2.390 10 0 DEAERO CC(=O)Nc1cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1F ZINC000053809759 402060279 /nfs/dbraw/zinc/06/02/79/402060279.db2.gz ZSHWEWUBGPYFBE-GFCCVEGCSA-N 1 0 321.396 2.388 10 0 DEAERO c1nnc(C2CC2)n1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000095988070 402043332 /nfs/dbraw/zinc/04/33/32/402043332.db2.gz JAOZBZAGHUBFAQ-KFWWJZLASA-N 1 0 302.422 2.093 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCOc2cccc(C)c2)C1 ZINC000052593454 402044389 /nfs/dbraw/zinc/04/43/89/402044389.db2.gz NEPNOTFKNHMFCG-MRXNPFEDSA-N 1 0 319.449 2.500 10 0 DEAERO CCN(CC)C(=O)CCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000151843956 402060538 /nfs/dbraw/zinc/06/05/38/402060538.db2.gz QNFUMVYMBJMJMB-MRXNPFEDSA-N 1 0 319.449 2.054 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000151627174 402047700 /nfs/dbraw/zinc/04/77/00/402047700.db2.gz FYQVXACUEGYNFC-UONOGXRCSA-N 1 0 318.417 2.367 10 0 DEAERO Cc1n[nH]cc1C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000121750138 402050940 /nfs/dbraw/zinc/05/09/40/402050940.db2.gz CJWLJBZISVVEBJ-HNNXBMFYSA-N 1 0 320.462 2.285 10 0 DEAERO CC[NH+](CC)CC(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000152030686 402071749 /nfs/dbraw/zinc/07/17/49/402071749.db2.gz DBIFYNOHARIVAD-UHFFFAOYSA-N 1 0 300.406 2.139 10 0 DEAERO CC(C)(C)c1noc(CN2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000152192407 402081319 /nfs/dbraw/zinc/08/13/19/402081319.db2.gz RNULWJKCISOTJF-CYBMUJFWSA-N 1 0 302.378 2.415 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2cc(C)ccc2OC)C1 ZINC000057798078 402097079 /nfs/dbraw/zinc/09/70/79/402097079.db2.gz FBDNMCRJOBNJJW-INIZCTEOSA-N 1 0 319.449 2.330 10 0 DEAERO C[NH+](C)C1CCN(C(=O)CCSCc2ccccn2)CC1 ZINC000058862875 402103194 /nfs/dbraw/zinc/10/31/94/402103194.db2.gz BUXQBKNGDDOTKR-UHFFFAOYSA-N 1 0 307.463 2.258 10 0 DEAERO Cc1cc(C)cc(OC[C@@H](O)CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061041159 402106917 /nfs/dbraw/zinc/10/69/17/402106917.db2.gz TXCOQZFWRYHFEC-SFHVURJKSA-N 1 0 318.461 2.213 10 0 DEAERO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000123041446 402107113 /nfs/dbraw/zinc/10/71/13/402107113.db2.gz UTULDOPEFGURNY-MSOLQXFVSA-N 1 0 318.461 2.290 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)NCCC2CCCCC2)CC[N@@H+]1C ZINC000123113731 402111432 /nfs/dbraw/zinc/11/14/32/402111432.db2.gz YEPYTIQMUNNQKD-NVXWUHKLSA-N 1 0 309.498 2.488 10 0 DEAERO Cc1cc(Cl)ccc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000123129916 402112132 /nfs/dbraw/zinc/11/21/32/402112132.db2.gz XDUIDWYEIIIKLZ-AWEZNQCLSA-N 1 0 308.809 2.195 10 0 DEAERO COc1ccccc1OCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123143708 402112747 /nfs/dbraw/zinc/11/27/47/402112747.db2.gz FPGWNHCAFYSTPK-HUUCEWRRSA-N 1 0 320.433 2.405 10 0 DEAERO Cc1ccc(CNC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123154960 402113622 /nfs/dbraw/zinc/11/36/22/402113622.db2.gz JJIXGZUOPGMBKJ-WBVHZDCISA-N 1 0 303.450 2.026 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C)cc(F)c1 ZINC000152960474 402119495 /nfs/dbraw/zinc/11/94/95/402119495.db2.gz VWEPRCHGMCACGJ-OAHLLOKOSA-N 1 0 309.385 2.366 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cccc2ccccc21 ZINC000122158491 402064386 /nfs/dbraw/zinc/06/43/86/402064386.db2.gz VBBHRAQFINLVSZ-SWLSCSKDSA-N 1 0 304.415 2.116 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000122177091 402065097 /nfs/dbraw/zinc/06/50/97/402065097.db2.gz NDFAXDQPOAXOEO-XJKCOSOUSA-N 1 0 306.406 2.191 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cccn3)cc2)CC[N@@H+]1C ZINC000123377476 402124431 /nfs/dbraw/zinc/12/44/31/402124431.db2.gz BXWZQBCIMPADEH-PBHICJAKSA-N 1 0 312.417 2.427 10 0 DEAERO Cc1cc(C)n(CCCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)n1 ZINC000097394475 402124470 /nfs/dbraw/zinc/12/44/70/402124470.db2.gz FXNSCGSUDXQPJS-INIZCTEOSA-N 1 0 323.485 2.166 10 0 DEAERO CC[C@](C)(O)C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000123465493 402129124 /nfs/dbraw/zinc/12/91/24/402129124.db2.gz PIWUQUJFVTYIIW-INIZCTEOSA-N 1 0 310.463 2.412 10 0 DEAERO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)cs3)C[C@@H]21 ZINC000153165495 402130315 /nfs/dbraw/zinc/13/03/15/402130315.db2.gz DGUJWICNQPQFEO-LSDHHAIUSA-N 1 0 301.415 2.329 10 0 DEAERO COCCC[N@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000066378268 402132584 /nfs/dbraw/zinc/13/25/84/402132584.db2.gz MHAMRGCKLAIBPW-OAHLLOKOSA-N 1 0 301.814 2.186 10 0 DEAERO CCCOc1cccc(CN2CC[NH+](C[C@@H](O)CC)CC2)c1 ZINC000123574533 402135689 /nfs/dbraw/zinc/13/56/89/402135689.db2.gz VKKNCALNVXCJMI-KRWDZBQOSA-N 1 0 306.450 2.364 10 0 DEAERO CC[C@@](C)(O)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000123636824 402139077 /nfs/dbraw/zinc/13/90/77/402139077.db2.gz FPJGZEQZHSOZDA-GOSISDBHSA-N 1 0 322.424 2.064 10 0 DEAERO Cc1cccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1Cl ZINC000153444261 402145970 /nfs/dbraw/zinc/14/59/70/402145970.db2.gz LEYLJSZFKMNKBQ-GFCCVEGCSA-N 1 0 311.813 2.443 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(-c3ccccc3)nc2)C1 ZINC000066921642 402146474 /nfs/dbraw/zinc/14/64/74/402146474.db2.gz XTKQPRDYNWPGDE-INIZCTEOSA-N 1 0 310.401 2.358 10 0 DEAERO C[C@@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101649257 402152316 /nfs/dbraw/zinc/15/23/16/402152316.db2.gz PBDVYQLFCHTPTP-TUAOUCFPSA-N 1 0 317.389 2.217 10 0 DEAERO CC(C)[C@H](C(=O)NCc1cccnc1N(C)C)[NH+]1CCCCC1 ZINC000067292468 402156442 /nfs/dbraw/zinc/15/64/42/402156442.db2.gz CGJDCWVZLFRKIL-MRXNPFEDSA-N 1 0 318.465 2.274 10 0 DEAERO CC[N@H+](CC(=O)N1CCO[C@H](c2cccc(OC)c2)C1)C1CC1 ZINC000153935562 402181699 /nfs/dbraw/zinc/18/16/99/402181699.db2.gz YVEWBRFFSJMKTB-KRWDZBQOSA-N 1 0 318.417 2.079 10 0 DEAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc2c1OCOC2 ZINC000103285730 402183442 /nfs/dbraw/zinc/18/34/42/402183442.db2.gz QCOALAJBCHAWOM-MNOVXSKESA-N 1 0 324.808 2.292 10 0 DEAERO CC(C)[C@H](C)CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154137203 402194868 /nfs/dbraw/zinc/19/48/68/402194868.db2.gz ISMNCINVHSWRSF-HRBLRVMOSA-N 1 0 321.509 2.438 10 0 DEAERO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)n1 ZINC000067642094 402165897 /nfs/dbraw/zinc/16/58/97/402165897.db2.gz CVHLTQQHZVUIKK-CQSZACIVSA-N 1 0 310.405 2.259 10 0 DEAERO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cc1F ZINC000153744181 402167448 /nfs/dbraw/zinc/16/74/48/402167448.db2.gz BYQZURSHNLREII-QGZVFWFLSA-N 1 0 320.408 2.394 10 0 DEAERO CSc1ccc2cc(CN3CCC[N@H+](C)CC3)c(=O)[nH]c2c1 ZINC000067804648 402173092 /nfs/dbraw/zinc/17/30/92/402173092.db2.gz ZZPUWXTXLUXBMO-UHFFFAOYSA-N 1 0 317.458 2.388 10 0 DEAERO CC(C)[C@@H](O)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000124894563 402202936 /nfs/dbraw/zinc/20/29/36/402202936.db2.gz QRIFXFLVTJWGOH-MFKMUULPSA-N 1 0 322.232 2.340 10 0 DEAERO NC(=O)N1CCC([NH2+]Cc2cccnc2OC2CCCC2)CC1 ZINC000153877565 402176689 /nfs/dbraw/zinc/17/66/89/402176689.db2.gz RUSXOSVCGZVKDY-UHFFFAOYSA-N 1 0 318.421 2.036 10 0 DEAERO CC1(C)Cc2cc(C[NH2+]C[C@H]3CN(C4CC4)CCO3)ccc2O1 ZINC000106379598 402213312 /nfs/dbraw/zinc/21/33/12/402213312.db2.gz PDLJGFAOBSIXDX-KRWDZBQOSA-N 1 0 316.445 2.353 10 0 DEAERO COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2C)cc1OC ZINC000154569024 402218864 /nfs/dbraw/zinc/21/88/64/402218864.db2.gz DMIJXJSEBRXVKY-HOCLYGCPSA-N 1 0 322.449 2.465 10 0 DEAERO COc1cccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1O ZINC000108894902 402263641 /nfs/dbraw/zinc/26/36/41/402263641.db2.gz JDFGRRLEFCMGOO-UHFFFAOYSA-N 1 0 304.390 2.101 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CCc1nc(C2CCCC2)no1 ZINC000155630725 402263789 /nfs/dbraw/zinc/26/37/89/402263789.db2.gz ANTBVZQOJBEYHN-STQMWFEESA-N 1 0 320.437 2.211 10 0 DEAERO NC(=O)c1ccc(CN2CCO[C@H](c3ccsc3)C2)cc1 ZINC000125390675 402229973 /nfs/dbraw/zinc/22/99/73/402229973.db2.gz BJLCDFMSWMKRGO-HNNXBMFYSA-N 1 0 302.399 2.421 10 0 DEAERO COc1cc(C)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000154790252 402232283 /nfs/dbraw/zinc/23/22/83/402232283.db2.gz NEONEPKTUQWSSO-UONOGXRCSA-N 1 0 318.417 2.321 10 0 DEAERO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000125435947 402232561 /nfs/dbraw/zinc/23/25/61/402232561.db2.gz NIBLYOZBSHBBOK-GUYCJALGSA-N 1 0 306.406 2.085 10 0 DEAERO C[C@H]1CCC[N@@H+]1C1CCN(c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000154921452 402238567 /nfs/dbraw/zinc/23/85/67/402238567.db2.gz TUEBDLUINQROLE-ZDUSSCGKSA-N 1 0 312.417 2.376 10 0 DEAERO O=S(=O)(c1ccccc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107708035 402239121 /nfs/dbraw/zinc/23/91/21/402239121.db2.gz LLDNTPRCTHZOKA-HNNXBMFYSA-N 1 0 308.447 2.326 10 0 DEAERO CC(C)c1noc2ncc(C(=O)NC[C@H]3CCC[N@H+](C)C3)cc21 ZINC000108329615 402249589 /nfs/dbraw/zinc/24/95/89/402249589.db2.gz RROUAJWOPWMUSB-GFCCVEGCSA-N 1 0 316.405 2.418 10 0 DEAERO CCCN(C[C@@H]1CCCCO1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108590354 402257877 /nfs/dbraw/zinc/25/78/77/402257877.db2.gz KTQLUNPRWJSTSK-CVEARBPZSA-N 1 0 311.470 2.319 10 0 DEAERO CC(C)(C)c1noc(-c2ccnc(N3CCC[C@@H]([NH3+])C3)c2)n1 ZINC000070458185 402260883 /nfs/dbraw/zinc/26/08/83/402260883.db2.gz BLLULODBDDNVNE-GFCCVEGCSA-N 1 0 301.394 2.357 10 0 DEAERO [NH3+][C@H]1CCCN(c2ccc(-c3nc(-c4ccncc4)no3)cn2)C1 ZINC000070457860 402260939 /nfs/dbraw/zinc/26/09/39/402260939.db2.gz IZUPKXHHGJXDIE-AWEZNQCLSA-N 1 0 322.372 2.121 10 0 DEAERO COc1ccccc1-c1cc2c(N3CCC([NH3+])CC3)nccn2n1 ZINC000070459249 402261337 /nfs/dbraw/zinc/26/13/37/402261337.db2.gz URXXINLNHDJYGI-UHFFFAOYSA-N 1 0 323.400 2.332 10 0 DEAERO Cc1ccc(-c2cc3c(N4CC[NH2+]CC4)nccn3n2)c(C)c1 ZINC000070459153 402261410 /nfs/dbraw/zinc/26/14/10/402261410.db2.gz LVDSBZNZBTVVIM-UHFFFAOYSA-N 1 0 307.401 2.423 10 0 DEAERO C[C@@]1(C(=O)NCc2ccc(Br)s2)CCC[NH2+]1 ZINC000070618960 402262429 /nfs/dbraw/zinc/26/24/29/402262429.db2.gz ALTFXYIUGYHVJZ-NSHDSACASA-N 1 0 303.225 2.269 10 0 DEAERO CCS(=O)(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000068783322 402205150 /nfs/dbraw/zinc/20/51/50/402205150.db2.gz DRSBNKBRLIIFFQ-UHFFFAOYSA-N 1 0 318.442 2.305 10 0 DEAERO Cn1cc([C@H]2CCCN2C(=O)NCC[N@H+](C)C2CCCC2)cn1 ZINC000104805447 402205439 /nfs/dbraw/zinc/20/54/39/402205439.db2.gz KIYXYQFMFCMCGC-MRXNPFEDSA-N 1 0 319.453 2.141 10 0 DEAERO COc1cc(C)ccc1OCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155610219 402263158 /nfs/dbraw/zinc/26/31/58/402263158.db2.gz IBPALDMTRBGTPR-LSDHHAIUSA-N 1 0 320.433 2.227 10 0 DEAERO CCn1cc(CN2CCCN(C(=O)C3CCCC3)CC2)cn1 ZINC000105828706 402209951 /nfs/dbraw/zinc/20/99/51/402209951.db2.gz CDNIAZPCWUDXQX-UHFFFAOYSA-N 1 0 304.438 2.128 10 0 DEAERO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105887137 402210466 /nfs/dbraw/zinc/21/04/66/402210466.db2.gz NPHIVQYMRNFTNM-INIZCTEOSA-N 1 0 320.481 2.488 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000105896598 402210637 /nfs/dbraw/zinc/21/06/37/402210637.db2.gz SPJCODNHAYQHCN-INIZCTEOSA-N 1 0 318.465 2.341 10 0 DEAERO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cc2ccccc2)C[C@@H](C)O1 ZINC000070903902 402266442 /nfs/dbraw/zinc/26/64/42/402266442.db2.gz QEQQDJQTUNDZEI-NUJGCVRESA-N 1 0 316.445 2.329 10 0 DEAERO C[C@@H](C(=O)N1CCCO1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000155878467 402269842 /nfs/dbraw/zinc/26/98/42/402269842.db2.gz UHMBPQMGNXQVDG-HNNXBMFYSA-N 1 0 302.418 2.494 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(F)cc2Br)C1 ZINC000071139980 402270508 /nfs/dbraw/zinc/27/05/08/402270508.db2.gz VSUHJVZUIAFSCI-JTQLQIEISA-N 1 0 315.186 2.364 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ncc(C)s1 ZINC000176060637 402274647 /nfs/dbraw/zinc/27/46/47/402274647.db2.gz RXOKHTWPYJPVNI-CHWSQXEVSA-N 1 0 308.451 2.220 10 0 DEAERO C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCc2ccccc21 ZINC000176627088 402324535 /nfs/dbraw/zinc/32/45/35/402324535.db2.gz RAKLRISQEKPZFF-RHSMWYFYSA-N 1 0 322.474 2.277 10 0 DEAERO COC(=O)C1(N)CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000215970177 402285672 /nfs/dbraw/zinc/28/56/72/402285672.db2.gz VNRDNRKIOFIWSV-UHFFFAOYSA-N 1 0 316.323 2.172 10 0 DEAERO C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)C1CCCC1 ZINC000184654769 402288813 /nfs/dbraw/zinc/28/88/13/402288813.db2.gz AANRQTFPOOAMCT-ZDUSSCGKSA-N 1 0 317.433 2.495 10 0 DEAERO Cc1ccc(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC000176635149 402325229 /nfs/dbraw/zinc/32/52/29/402325229.db2.gz AETMOPUJQBSGIF-ALOPSCKCSA-N 1 0 316.449 2.247 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(O)CCC1 ZINC000184771327 402298948 /nfs/dbraw/zinc/29/89/48/402298948.db2.gz FLQKKMVDMKOPAQ-ALOPSCKCSA-N 1 0 314.429 2.213 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1nnc(C(F)F)s1 ZINC000176326660 402299960 /nfs/dbraw/zinc/29/99/60/402299960.db2.gz MROWYOMMZGMTRP-QMMMGPOBSA-N 1 0 319.381 2.424 10 0 DEAERO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](CCO)C(C)C)cc1 ZINC000176364569 402303205 /nfs/dbraw/zinc/30/32/05/402303205.db2.gz VXLAFQZVZUGPGJ-QGZVFWFLSA-N 1 0 320.433 2.061 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000176399503 402305994 /nfs/dbraw/zinc/30/59/94/402305994.db2.gz RVQLLBSVIKZWCX-QWHCGFSZSA-N 1 0 323.462 2.469 10 0 DEAERO CC1(C)CCC(NC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000176402411 402306346 /nfs/dbraw/zinc/30/63/46/402306346.db2.gz GCKNBURSAYESEZ-UHFFFAOYSA-N 1 0 323.481 2.461 10 0 DEAERO CCOCCC1(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000158528523 402307598 /nfs/dbraw/zinc/30/75/98/402307598.db2.gz QPZUBWPXCLTXGF-KRWDZBQOSA-N 1 0 318.461 2.482 10 0 DEAERO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3C[C@H]3C)c2)CC1 ZINC000184919591 402309586 /nfs/dbraw/zinc/30/95/86/402309586.db2.gz PJBCQBJNTUPMNC-CJNGLKHVSA-N 1 0 302.422 2.358 10 0 DEAERO Cc1ccccc1OCCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000176496937 402314713 /nfs/dbraw/zinc/31/47/13/402314713.db2.gz IXMAPDUSAGSJNC-HOTGVXAUSA-N 1 0 319.449 2.402 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1cccc(C)c1 ZINC000158999988 402316028 /nfs/dbraw/zinc/31/60/28/402316028.db2.gz AKHCICIRGRJQDU-ZWKOTPCHSA-N 1 0 315.461 2.170 10 0 DEAERO O=C(c1c(O)cnc2ccccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000176570184 402320604 /nfs/dbraw/zinc/32/06/04/402320604.db2.gz HVZRTHCCMLHNLR-ZDUSSCGKSA-N 1 0 311.385 2.251 10 0 DEAERO CC(C)[C@H]1C[C@@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000185053363 402320644 /nfs/dbraw/zinc/32/06/44/402320644.db2.gz PKSWVFUAMBZPJR-SJORKVTESA-N 1 0 301.434 2.454 10 0 DEAERO Cn1cc(-c2cccc(CNC(=O)[C@]3(C)CCC[NH2+]C3)c2)cn1 ZINC000225562620 402321051 /nfs/dbraw/zinc/32/10/51/402321051.db2.gz LGWWHWFSXDGIIA-GOSISDBHSA-N 1 0 312.417 2.093 10 0 DEAERO Cc1ncc(CN(C)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000176842136 402341996 /nfs/dbraw/zinc/34/19/96/402341996.db2.gz PWQYPESWENARDJ-SMDDNHRTSA-N 1 0 310.467 2.322 10 0 DEAERO COc1ccc(C)cc1NC(=O)C[N@H+](C)[C@H](CO)CC(C)C ZINC000185330952 402343992 /nfs/dbraw/zinc/34/39/92/402343992.db2.gz AMGZQVFGHPKABK-AWEZNQCLSA-N 1 0 308.422 2.281 10 0 DEAERO Cc1ccc(F)c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000176894406 402347336 /nfs/dbraw/zinc/34/73/36/402347336.db2.gz QLXAJOJOBXJRSM-CQSZACIVSA-N 1 0 322.424 2.299 10 0 DEAERO CCC[C@H](C(=O)Nc1nc2ccccc2n1CCOC)[NH+](C)C ZINC000185424039 402351313 /nfs/dbraw/zinc/35/13/13/402351313.db2.gz VZIYADYJTINVSW-OAHLLOKOSA-N 1 0 318.421 2.352 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnc2onc(C)c2c1 ZINC000177018555 402359823 /nfs/dbraw/zinc/35/98/23/402359823.db2.gz MTILSRLTIPWKRJ-CYBMUJFWSA-N 1 0 302.378 2.088 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnc2onc(C)c2c1 ZINC000177018574 402359901 /nfs/dbraw/zinc/35/99/01/402359901.db2.gz MTILSRLTIPWKRJ-ZDUSSCGKSA-N 1 0 302.378 2.088 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cn1nc(C)c(Cl)c1C ZINC000177041044 402362806 /nfs/dbraw/zinc/36/28/06/402362806.db2.gz SGUWTNVFDBCJKB-ZDUSSCGKSA-N 1 0 312.845 2.096 10 0 DEAERO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)CCN1C ZINC000177127180 402372152 /nfs/dbraw/zinc/37/21/52/402372152.db2.gz PDRBTXNRRAJLAP-OCCSQVGLSA-N 1 0 322.428 2.151 10 0 DEAERO COCCC(C)(C)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000185792813 402377496 /nfs/dbraw/zinc/37/74/96/402377496.db2.gz UTFMWWNRIVEWRU-CQSZACIVSA-N 1 0 301.475 2.325 10 0 DEAERO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@@H]1N1CCOCC1 ZINC000177225738 402383185 /nfs/dbraw/zinc/38/31/85/402383185.db2.gz CHFDVNBGGVMPGG-XWIAVFTESA-N 1 0 304.409 2.466 10 0 DEAERO CCC[C@@H](C(=O)N1CCC(O)(c2ccccc2)CC1)[NH+](C)C ZINC000185862131 402383637 /nfs/dbraw/zinc/38/36/37/402383637.db2.gz WWJNADMUDGSPRZ-INIZCTEOSA-N 1 0 304.434 2.227 10 0 DEAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCCOc1ccc2ccccc2c1 ZINC000185153224 402328699 /nfs/dbraw/zinc/32/86/99/402328699.db2.gz YJASQHUZIQYRKI-SJORKVTESA-N 1 0 301.386 2.036 10 0 DEAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCCOc1cccc2ccccc21 ZINC000185179822 402331038 /nfs/dbraw/zinc/33/10/38/402331038.db2.gz AFTVDRWSBDLOJP-HZPDHXFCSA-N 1 0 301.386 2.036 10 0 DEAERO CN1CC[NH+]([C@@H]2CCCCN(Cc3ccnc(Cl)c3)C2)CC1 ZINC000177368467 402395154 /nfs/dbraw/zinc/39/51/54/402395154.db2.gz DRINYHHXDULSOI-MRXNPFEDSA-N 1 0 322.884 2.337 10 0 DEAERO COC(=O)c1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000161843781 402401230 /nfs/dbraw/zinc/40/12/30/402401230.db2.gz QINROGBFHXRZAE-QWHCGFSZSA-N 1 0 317.389 2.174 10 0 DEAERO O=C(c1cccnc1Br)N1CCC[N@@H+](C2CC2)CC1 ZINC000177469240 402406217 /nfs/dbraw/zinc/40/62/17/402406217.db2.gz CMZXUJKUCHEXAA-UHFFFAOYSA-N 1 0 324.222 2.154 10 0 DEAERO Cc1ccc(C[C@@H](C)N(C)C(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000237507810 402410582 /nfs/dbraw/zinc/41/05/82/402410582.db2.gz JUCOHSBKDAHICH-ZBFHGGJFSA-N 1 0 306.475 2.480 10 0 DEAERO C[C@H](CC(=O)N1CCCC[C@H]1c1cn[nH]c1)[C@@H]1CCC[NH2+]C1 ZINC000237524023 402411533 /nfs/dbraw/zinc/41/15/33/402411533.db2.gz DGDWZLDUMWOJPS-FMKPAKJESA-N 1 0 304.438 2.489 10 0 DEAERO C[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1ccc2c(c1)OCO2 ZINC000237549167 402412640 /nfs/dbraw/zinc/41/26/40/402412640.db2.gz FJVJDRYJGAGCSE-BLLLJJGKSA-N 1 0 324.380 2.307 10 0 DEAERO C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)c1ccc2c(c1)OCO2 ZINC000237656798 402417055 /nfs/dbraw/zinc/41/70/55/402417055.db2.gz AZWYPFBWMQNGAP-DOMZBBRYSA-N 1 0 312.369 2.335 10 0 DEAERO Cc1cccc(OCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000237767775 402420780 /nfs/dbraw/zinc/42/07/80/402420780.db2.gz MWMXYTMHDIINNY-PVAVHDDUSA-N 1 0 302.418 2.411 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000162540670 402423306 /nfs/dbraw/zinc/42/33/06/402423306.db2.gz UGLWPJVWCQBZRN-ULQDDVLXSA-N 1 0 302.418 2.243 10 0 DEAERO CCOC(=O)c1nn(C)cc1C[NH2+]CCc1cc(F)ccc1F ZINC000186374728 402426303 /nfs/dbraw/zinc/42/63/03/402426303.db2.gz CXPCFPHHVWOWQY-UHFFFAOYSA-N 1 0 323.343 2.207 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000162675709 402428556 /nfs/dbraw/zinc/42/85/56/402428556.db2.gz ROWFBKOBQQJLQV-AWEZNQCLSA-N 1 0 318.421 2.085 10 0 DEAERO [NH3+]CCCCCCC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000237998998 402431361 /nfs/dbraw/zinc/43/13/61/402431361.db2.gz SSBJMSKWUIBNFF-INIZCTEOSA-N 1 0 323.481 2.193 10 0 DEAERO CCOC(=O)[C@H](c1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177756055 402432629 /nfs/dbraw/zinc/43/26/29/402432629.db2.gz QHRZDQKNJVLVBK-SJORKVTESA-N 1 0 302.418 2.461 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2nnc(-c3ccccn3)s2)C1 ZINC000238029825 402433309 /nfs/dbraw/zinc/43/33/09/402433309.db2.gz WYKCZEXNABFPBZ-ZJUUUORDSA-N 1 0 303.391 2.056 10 0 DEAERO CC[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000177764890 402433979 /nfs/dbraw/zinc/43/39/79/402433979.db2.gz KVURQOMUAIFENQ-ZDUSSCGKSA-N 1 0 306.406 2.413 10 0 DEAERO O=C(CSc1ccc(O)cc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186493731 402436357 /nfs/dbraw/zinc/43/63/57/402436357.db2.gz PVGKNNWRKMUTJH-GFCCVEGCSA-N 1 0 306.431 2.227 10 0 DEAERO COC(=O)Nc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000186501230 402436934 /nfs/dbraw/zinc/43/69/34/402436934.db2.gz FPWJIJSJNQDOIE-CQSZACIVSA-N 1 0 317.389 2.222 10 0 DEAERO CCc1ccccc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000186508576 402437330 /nfs/dbraw/zinc/43/73/30/402437330.db2.gz IMEJLGZIGWYCDZ-UHFFFAOYSA-N 1 0 322.474 2.498 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCC[C@@H]2CCCCO2)C1 ZINC000186535490 402439805 /nfs/dbraw/zinc/43/98/05/402439805.db2.gz WNIDDXANIABHJX-PMPSAXMXSA-N 1 0 311.470 2.364 10 0 DEAERO CCC1(CC)CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000186546351 402440542 /nfs/dbraw/zinc/44/05/42/402440542.db2.gz ZCWZBBIJCFMDAY-AWEZNQCLSA-N 1 0 323.481 2.014 10 0 DEAERO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177844903 402440636 /nfs/dbraw/zinc/44/06/36/402440636.db2.gz CJMNYDADEDEDCV-DGCLKSJQSA-N 1 0 315.410 2.449 10 0 DEAERO O=C(c1cc(-c2ccccc2)n[nH]1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186554112 402441346 /nfs/dbraw/zinc/44/13/46/402441346.db2.gz JHKWBAIQWMQURX-AWEZNQCLSA-N 1 0 310.401 2.433 10 0 DEAERO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCCOC2)cc1 ZINC000177931570 402445088 /nfs/dbraw/zinc/44/50/88/402445088.db2.gz UQTHKLANZVOLIR-DOMZBBRYSA-N 1 0 312.435 2.278 10 0 DEAERO Cc1cnn(CC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000177313065 402389919 /nfs/dbraw/zinc/38/99/19/402389919.db2.gz QKWVJBYFZLAIPB-UHFFFAOYSA-N 1 0 308.426 2.181 10 0 DEAERO C[C@@H](NC(=O)CCc1ccnn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000185949718 402391776 /nfs/dbraw/zinc/39/17/76/402391776.db2.gz YSIIYOAPCOWODX-RDTXWAMCSA-N 1 0 314.433 2.160 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)CCCNC(=O)C1CC1 ZINC000237031777 402392311 /nfs/dbraw/zinc/39/23/11/402392311.db2.gz UQFYQIJABAWYMY-UHFFFAOYSA-N 1 0 303.406 2.041 10 0 DEAERO C[NH2+]C1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 ZINC000237062737 402393633 /nfs/dbraw/zinc/39/36/33/402393633.db2.gz VFEVDNZQZPFTRS-UHFFFAOYSA-N 1 0 318.417 2.259 10 0 DEAERO CCc1noc(CC)c1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237082926 402394184 /nfs/dbraw/zinc/39/41/84/402394184.db2.gz NHLVYZOOKZDOKP-UGFHNGPFSA-N 1 0 305.422 2.336 10 0 DEAERO C[NH2+]C1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Cl)CC1 ZINC000237082818 402394277 /nfs/dbraw/zinc/39/42/77/402394277.db2.gz RZMCSUJJWSKDPI-JTQLQIEISA-N 1 0 314.788 2.457 10 0 DEAERO CCCN(CC)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000245202937 402452572 /nfs/dbraw/zinc/45/25/72/402452572.db2.gz XTOCRWMAPDWDBJ-INIZCTEOSA-N 1 0 316.449 2.238 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccs2)[C@@H](C)C1 ZINC000246121983 402511728 /nfs/dbraw/zinc/51/17/28/402511728.db2.gz JDDLEHWVQYDUIR-RYUDHWBXSA-N 1 0 302.465 2.099 10 0 DEAERO Cn1ncc2c1ncnc2N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246117315 402511821 /nfs/dbraw/zinc/51/18/21/402511821.db2.gz RIFNBKXZAXQUFT-WCQYABFASA-N 1 0 313.361 2.049 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000186690261 402455735 /nfs/dbraw/zinc/45/57/35/402455735.db2.gz NVHYCEBOLYXZDR-UHFFFAOYSA-N 1 0 313.401 2.305 10 0 DEAERO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)CC(=O)NC(C)(C)C ZINC000245399173 402456025 /nfs/dbraw/zinc/45/60/25/402456025.db2.gz VWKUJYIQYPPPHW-MJBXVCDLSA-N 1 0 311.470 2.011 10 0 DEAERO CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000186704759 402457667 /nfs/dbraw/zinc/45/76/67/402457667.db2.gz 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CCc1noc(C2CCC([NH2+]Cc3cc(C(N)=O)co3)CC2)n1 ZINC000187706096 402508760 /nfs/dbraw/zinc/50/87/60/402508760.db2.gz YORSEQKNDWWDHL-UHFFFAOYSA-N 1 0 318.377 2.140 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)COc1cccc(C)c1 ZINC000246095647 402509053 /nfs/dbraw/zinc/50/90/53/402509053.db2.gz OEVFMAWUQINYMM-FGTMMUONSA-N 1 0 318.461 2.293 10 0 DEAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187715905 402509266 /nfs/dbraw/zinc/50/92/66/402509266.db2.gz KAEUWXZSLNIDJD-LLVKDONJSA-N 1 0 316.357 2.218 10 0 DEAERO CCOc1ccc(CN2CCC[C@H]2C(=O)NC)cc1OCC ZINC000170928459 402542466 /nfs/dbraw/zinc/54/24/66/402542466.db2.gz ZDNPVEMHWHRABJ-AWEZNQCLSA-N 1 0 306.406 2.194 10 0 DEAERO CCOC[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)C(C)C ZINC000189545768 402544263 /nfs/dbraw/zinc/54/42/63/402544263.db2.gz UUQRVTXYGIVTRU-INIZCTEOSA-N 1 0 322.449 2.418 10 0 DEAERO COC(C)(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000170960761 402545191 /nfs/dbraw/zinc/54/51/91/402545191.db2.gz IWUDAIHEVLYXAY-UHFFFAOYSA-N 1 0 304.434 2.235 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000178861545 402547743 /nfs/dbraw/zinc/54/77/43/402547743.db2.gz IMFMNSLGSKLTDQ-BPUTZDHNSA-N 1 0 318.417 2.244 10 0 DEAERO Cc1nn(-c2ccccc2)cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246957268 402550985 /nfs/dbraw/zinc/55/09/85/402550985.db2.gz DHMFGRKHINCNFR-RHSMWYFYSA-N 1 0 324.428 2.489 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)COc1ccccc1Cl ZINC000246969175 402551559 /nfs/dbraw/zinc/55/15/59/402551559.db2.gz DOBKBUQQJJOQFT-ILXRZTDVSA-N 1 0 324.852 2.248 10 0 DEAERO CC(C)[C@@H](O)CC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178898488 402552032 /nfs/dbraw/zinc/55/20/32/402552032.db2.gz JUOLJRXGHZBEST-SFHVURJKSA-N 1 0 318.461 2.217 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](COC)c2ccccc2)C1 ZINC000171048379 402552306 /nfs/dbraw/zinc/55/23/06/402552306.db2.gz BDUUTUNCBCUDDM-CVEARBPZSA-N 1 0 305.422 2.158 10 0 DEAERO Cc1cccc(C)c1OCCN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246999667 402553094 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CO[C@@H]1CC[C@H]2OCCN(Cc3cnc4ccccn34)[C@H]2C1 ZINC000247130051 402557891 /nfs/dbraw/zinc/55/78/91/402557891.db2.gz WYLNHVIFYAYXIR-OWCLPIDISA-N 1 0 301.390 2.103 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000178951803 402558352 /nfs/dbraw/zinc/55/83/52/402558352.db2.gz VKEZCRKKSXJNII-UHFFFAOYSA-N 1 0 302.827 2.021 10 0 DEAERO O=C1NCC[C@H]1[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000179006322 402564190 /nfs/dbraw/zinc/56/41/90/402564190.db2.gz KDGKRWBVGOQQSY-GXTWGEPZSA-N 1 0 308.809 2.319 10 0 DEAERO Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n(C)n1 ZINC000179011759 402564754 /nfs/dbraw/zinc/56/47/54/402564754.db2.gz GBCLOIWTHJKUTN-GOEBONIOSA-N 1 0 313.405 2.295 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(c2ccccc2)CC1 ZINC000171192979 402565968 /nfs/dbraw/zinc/56/59/68/402565968.db2.gz MITIFGSAEHZNDZ-KRWDZBQOSA-N 1 0 316.449 2.049 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1ccccc1 ZINC000247519259 402570819 /nfs/dbraw/zinc/57/08/19/402570819.db2.gz 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DEAERO Cc1cccc(C)c1OCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170831489 402530325 /nfs/dbraw/zinc/53/03/25/402530325.db2.gz KOJKDHVRIVHAQI-HNNXBMFYSA-N 1 0 305.422 2.028 10 0 DEAERO CC(C)([NH3+])CC(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000178726160 402531490 /nfs/dbraw/zinc/53/14/90/402531490.db2.gz WFQJYCNWYSVCGV-UHFFFAOYSA-N 1 0 315.461 2.415 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000170863216 402534235 /nfs/dbraw/zinc/53/42/35/402534235.db2.gz LNORVIIIHHMDNI-LLVKDONJSA-N 1 0 302.296 2.361 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000170863118 402534396 /nfs/dbraw/zinc/53/43/96/402534396.db2.gz WCSQXVDLSJPWDP-CYBMUJFWSA-N 1 0 311.223 2.154 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C[C@H](C)O ZINC000246509467 402534639 /nfs/dbraw/zinc/53/46/39/402534639.db2.gz IEDIIUBGIBVQKW-HRCADAONSA-N 1 0 311.470 2.052 10 0 DEAERO CC1CCN(c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cn2)CC1 ZINC000170868389 402535749 /nfs/dbraw/zinc/53/57/49/402535749.db2.gz HXDTYEKSCLZSOD-INIZCTEOSA-N 1 0 316.449 2.094 10 0 DEAERO CC(C)C(=O)Nc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170867014 402535994 /nfs/dbraw/zinc/53/59/94/402535994.db2.gz KEORTSDXERSVKQ-OAHLLOKOSA-N 1 0 303.406 2.057 10 0 DEAERO CCCn1nc(C)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000246600315 402538074 /nfs/dbraw/zinc/53/80/74/402538074.db2.gz UJBDBCSHGZNPIC-SWLSCSKDSA-N 1 0 306.454 2.465 10 0 DEAERO Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000179120322 402574273 /nfs/dbraw/zinc/57/42/73/402574273.db2.gz JTPGJAOVNXZOBT-LBPRGKRZSA-N 1 0 320.437 2.275 10 0 DEAERO O=C1OCC[C@@H]1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247933418 402577988 /nfs/dbraw/zinc/57/79/88/402577988.db2.gz CGOMYLIASAWANY-BZSNNMDCSA-N 1 0 314.429 2.288 10 0 DEAERO CON(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000190142831 402578920 /nfs/dbraw/zinc/57/89/20/402578920.db2.gz HFMQCRZZCRLWDF-STQMWFEESA-N 1 0 315.776 2.427 10 0 DEAERO c1ccc(-c2nnc3ccc(N4CC[N@@H+]5CCC[C@@H]5C4)nn32)cc1 ZINC000171362647 402580944 /nfs/dbraw/zinc/58/09/44/402580944.db2.gz FQPPHTZOJLJJHQ-OAHLLOKOSA-N 1 0 320.400 2.076 10 0 DEAERO Cc1nc(CCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)sc1C ZINC000248025827 402580965 /nfs/dbraw/zinc/58/09/65/402580965.db2.gz OZKLBNWRHOOGKI-FZMZJTMJSA-N 1 0 324.494 2.427 10 0 DEAERO COc1cccc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)n1 ZINC000171828931 402626662 /nfs/dbraw/zinc/62/66/62/402626662.db2.gz DEQMANSGCJVBMN-OAHLLOKOSA-N 1 0 315.421 2.211 10 0 DEAERO CCCCNC(=O)C1CC[NH+](Cc2cnn(CCC)c2)CC1 ZINC000179330669 402585294 /nfs/dbraw/zinc/58/52/94/402585294.db2.gz MSYLIEWOOYHXJV-UHFFFAOYSA-N 1 0 306.454 2.421 10 0 DEAERO CCC(=O)CC[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000190220763 402585513 /nfs/dbraw/zinc/58/55/13/402585513.db2.gz GLNWVHVGWUTPBT-HNNXBMFYSA-N 1 0 310.463 2.422 10 0 DEAERO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000248340193 402586346 /nfs/dbraw/zinc/58/63/46/402586346.db2.gz IMXNQRIXYHYDKO-BARDWOONSA-N 1 0 302.484 2.072 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190290199 402590499 /nfs/dbraw/zinc/59/04/99/402590499.db2.gz IUWWAFIGIPZNKV-AHCXZYCDSA-N 1 0 316.445 2.438 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@H]2CCCC2(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000248506017 402594048 /nfs/dbraw/zinc/59/40/48/402594048.db2.gz WOAJRLVDJZGCAQ-KFWWJZLASA-N 1 0 311.470 2.052 10 0 DEAERO CCCC[C@H](CC)CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248560558 402595795 /nfs/dbraw/zinc/59/57/95/402595795.db2.gz AUHPQLUDKJRWLQ-JYJNAYRXSA-N 1 0 313.486 2.299 10 0 DEAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cnn1-c1ccccc1C ZINC000171586287 402597808 /nfs/dbraw/zinc/59/78/08/402597808.db2.gz RQFSTZNXBXJXNU-INIZCTEOSA-N 1 0 324.428 2.409 10 0 DEAERO O=C(N[C@@H]1CCCOC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171610454 402600869 /nfs/dbraw/zinc/60/08/69/402600869.db2.gz CCPRIFCFFIIYAN-IAGOWNOFSA-N 1 0 323.481 2.463 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCCc3ccc(F)c(F)c3)C[C@H]12 ZINC000248666621 402602982 /nfs/dbraw/zinc/60/29/82/402602982.db2.gz WRYOTXXNNFHOQM-DVOMOZLQSA-N 1 0 308.372 2.483 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3ccccc3)C[C@H]12 ZINC000248697948 402604367 /nfs/dbraw/zinc/60/43/67/402604367.db2.gz ZDGOQVJNXJLJQI-SFFUCWETSA-N 1 0 314.429 2.350 10 0 DEAERO O=C1C[C@H](c2ccccc2)[N@H+](C[C@H](O)C2CCCCC2)CCN1 ZINC000190499083 402605835 /nfs/dbraw/zinc/60/58/35/402605835.db2.gz XYPNBXJHFGJJPW-MSOLQXFVSA-N 1 0 316.445 2.491 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1nc3ccccc3n1C)CC2 ZINC000180168918 402609020 /nfs/dbraw/zinc/60/90/20/402609020.db2.gz KJUJFKIDFRJZGG-CHWSQXEVSA-N 1 0 324.432 2.393 10 0 DEAERO O=C(NC[C@H]1CCCOC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171682872 402609631 /nfs/dbraw/zinc/60/96/31/402609631.db2.gz HOHNWLMOGVGHNN-CVEARBPZSA-N 1 0 309.454 2.073 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@@H](O)COc1ccccc1Cl ZINC000248840466 402610739 /nfs/dbraw/zinc/61/07/39/402610739.db2.gz PGOWTFVMUSSSET-YRGRVCCFSA-N 1 0 313.825 2.313 10 0 DEAERO C[C@H]1C[N@H+](CCCN2C(=O)c3ccccc3C2=O)CCS1 ZINC000171699004 402611272 /nfs/dbraw/zinc/61/12/72/402611272.db2.gz RBHWLYSOHJKYGI-LBPRGKRZSA-N 1 0 304.415 2.110 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000190601067 402612623 /nfs/dbraw/zinc/61/26/23/402612623.db2.gz QOPTYWWJNCGJEX-ZNMIVQPWSA-N 1 0 306.406 2.348 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(-c3ncon3)cc2)C1 ZINC000171738542 402617014 /nfs/dbraw/zinc/61/70/14/402617014.db2.gz WCOAXHHCEXXLHE-GFCCVEGCSA-N 1 0 315.377 2.200 10 0 DEAERO CC(C)CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190677144 402617770 /nfs/dbraw/zinc/61/77/70/402617770.db2.gz IKZNJGIXPJILNZ-MRXNPFEDSA-N 1 0 304.438 2.201 10 0 DEAERO C[Si](C)(C)C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000171746402 402617839 /nfs/dbraw/zinc/61/78/39/402617839.db2.gz NXOJNPUOFLSLKR-UHFFFAOYSA-N 1 0 308.502 2.332 10 0 DEAERO CCOc1cc(C)nc(N2CC[NH+]([C@H]3C=CCCC3)CC2)n1 ZINC000171746426 402618132 /nfs/dbraw/zinc/61/81/32/402618132.db2.gz BAVMMRLTTNADOH-HNNXBMFYSA-N 1 0 302.422 2.414 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2snnc2C(C)(C)C)C1 ZINC000249081307 402619608 /nfs/dbraw/zinc/61/96/08/402619608.db2.gz RQJRIYUMBUGRBJ-WDEREUQCSA-N 1 0 310.467 2.294 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000249133111 402621955 /nfs/dbraw/zinc/62/19/55/402621955.db2.gz MPSOYOFQBPKPGI-QSPRXWTASA-N 1 0 302.418 2.411 10 0 DEAERO Cc1cc(F)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249146218 402622627 /nfs/dbraw/zinc/62/26/27/402622627.db2.gz GITUDKJEWVFVEB-GXTWGEPZSA-N 1 0 321.396 2.014 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180666303 402622781 /nfs/dbraw/zinc/62/27/81/402622781.db2.gz MVZYDXDTZKJNLX-WMLDXEAASA-N 1 0 303.406 2.309 10 0 DEAERO CCOc1ncc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1Cl ZINC000171802085 402623464 /nfs/dbraw/zinc/62/34/64/402623464.db2.gz PVLIANRFLAQBTN-UHFFFAOYSA-N 1 0 323.824 2.444 10 0 DEAERO C[C@@H](CNC(=O)NC[C@H]1CCC(C)(C)O1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249281672 402624909 /nfs/dbraw/zinc/62/49/09/402624909.db2.gz PYNBIEFPDLDACD-QLFBSQMISA-N 1 0 311.470 2.364 10 0 DEAERO Cn1c(CN2CCC(C[NH+]3CCCC3)CC2)nnc1C1CCC1 ZINC000181102510 402635499 /nfs/dbraw/zinc/63/54/99/402635499.db2.gz YKAOWOXQQPYPHO-UHFFFAOYSA-N 1 0 317.481 2.390 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC(C)C)c2)[C@H](C)C1 ZINC000181162346 402636602 /nfs/dbraw/zinc/63/66/02/402636602.db2.gz ADOIGVBDKKTTND-ZBFHGGJFSA-N 1 0 306.454 2.341 10 0 DEAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccc(O)c1 ZINC000191066661 402639372 /nfs/dbraw/zinc/63/93/72/402639372.db2.gz GBBYXCVFNWOBAO-HIFRSBDPSA-N 1 0 303.406 2.333 10 0 DEAERO COC(=O)CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181295641 402640383 /nfs/dbraw/zinc/64/03/83/402640383.db2.gz RDNIRDCXMBYRKR-CQSZACIVSA-N 1 0 314.389 2.214 10 0 DEAERO COC[C@@H](C)C[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000249978290 402643919 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CC[NH+](CC)[C@@H](C)CNS(=O)(=O)Cc1ccc(C)cc1F ZINC000192013965 402704720 /nfs/dbraw/zinc/70/47/20/402704720.db2.gz JDCOMDKDNMPEDI-ZDUSSCGKSA-N 1 0 316.442 2.284 10 0 DEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cc3c(cc2F)CCC(=O)N3)C1 ZINC000262027897 402721276 /nfs/dbraw/zinc/72/12/76/402721276.db2.gz YISOZUXBYTXWJD-QWRGUYRKSA-N 1 0 305.353 2.166 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCc1ccccc1 ZINC000173828892 402714696 /nfs/dbraw/zinc/71/46/96/402714696.db2.gz LZLYBIGJEWWLHH-IAGOWNOFSA-N 1 0 322.474 2.118 10 0 DEAERO COc1ccccc1NC(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261788774 402717826 /nfs/dbraw/zinc/71/78/26/402717826.db2.gz SUHLLYYTDSAUOW-HNNXBMFYSA-N 1 0 317.433 2.098 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000252696015 402660516 /nfs/dbraw/zinc/66/05/16/402660516.db2.gz LQQFMKYKLGLPNK-CBZIJGRNSA-N 1 0 323.481 2.052 10 0 DEAERO CCC1(CC)[C@H]([NH2+][C@@H]2CCCn3nc(COC)nc32)C[C@@H]1OC ZINC000181904151 402660590 /nfs/dbraw/zinc/66/05/90/402660590.db2.gz BLYOBMKKZJDJMZ-MCIONIFRSA-N 1 0 322.453 2.443 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc3ccccc32)[C@@H](C)C1 ZINC000253203579 402661949 /nfs/dbraw/zinc/66/19/49/402661949.db2.gz HGOCHWOCDJWWQI-GJZGRUSLSA-N 1 0 312.413 2.367 10 0 DEAERO CC(C)n1cc(C[N@H+]2C[C@@H](c3ccncc3)[C@H](CO)C2)cn1 ZINC000253405240 402663620 /nfs/dbraw/zinc/66/36/20/402663620.db2.gz IEJOCALHRKJXIK-IRXDYDNUSA-N 1 0 300.406 2.067 10 0 DEAERO Cc1cccc(NC(=O)C[NH2+][C@H](CC(N)=O)C2CCCCC2)c1 ZINC000182045789 402665467 /nfs/dbraw/zinc/66/54/67/402665467.db2.gz WFAVMNBFCDLSDQ-MRXNPFEDSA-N 1 0 317.433 2.347 10 0 DEAERO CC[C@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000172744535 402672961 /nfs/dbraw/zinc/67/29/61/402672961.db2.gz YABHNLZFCZZQTK-SJORKVTESA-N 1 0 302.418 2.113 10 0 DEAERO O=C(C/C=C\c1ccc(F)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000255618102 402692973 /nfs/dbraw/zinc/69/29/73/402692973.db2.gz QJMGGKDELKODSB-CHYADLBTSA-N 1 0 320.408 2.192 10 0 DEAERO CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173449152 402697711 /nfs/dbraw/zinc/69/77/11/402697711.db2.gz ZZBRNZAAAXWWNG-LSDHHAIUSA-N 1 0 304.438 2.346 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000173442158 402697802 /nfs/dbraw/zinc/69/78/02/402697802.db2.gz JQJIMRLIDYVADC-UHFFFAOYSA-N 1 0 323.485 2.457 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)CCc3ccccc3)[C@@H]2C1 ZINC000182568087 402700121 /nfs/dbraw/zinc/70/01/21/402700121.db2.gz KFBICOVQQYDEEV-MKXGPGLRSA-N 1 0 319.445 2.248 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(Cc3cccc(Cl)n3)CC2)CCO1 ZINC000173559398 402703247 /nfs/dbraw/zinc/70/32/47/402703247.db2.gz GSSXLSVXPVZKDD-ZDUSSCGKSA-N 1 0 309.841 2.420 10 0 DEAERO CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000262582112 402727610 /nfs/dbraw/zinc/72/76/10/402727610.db2.gz KPUCWQQNSGELRQ-UONOGXRCSA-N 1 0 318.417 2.005 10 0 DEAERO Cc1noc2ncnc(N3CCCC[C@H]([NH+]4CCCC4)C3)c12 ZINC000192452318 402729854 /nfs/dbraw/zinc/72/98/54/402729854.db2.gz PNARDVLMUFFVOR-ZDUSSCGKSA-N 1 0 301.394 2.381 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNCc1ccc2c(c1)sc(=O)n2C ZINC000192462953 402730781 /nfs/dbraw/zinc/73/07/81/402730781.db2.gz NTKJUIQRCIUABB-LBPRGKRZSA-N 1 0 307.463 2.420 10 0 DEAERO CCc1nc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cs1 ZINC000174248310 402733724 /nfs/dbraw/zinc/73/37/24/402733724.db2.gz SJXRMVXYPNVBKI-CYBMUJFWSA-N 1 0 322.478 2.333 10 0 DEAERO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)C[C@H]2C1 ZINC000192531005 402735559 /nfs/dbraw/zinc/73/55/59/402735559.db2.gz YBKAQMGUDVSAKD-CRWXNKLISA-N 1 0 306.356 2.088 10 0 DEAERO CCO[C@H](CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C(C)C ZINC000174324495 402736849 /nfs/dbraw/zinc/73/68/49/402736849.db2.gz FREGVLPPANEOQL-JKSUJKDBSA-N 1 0 309.454 2.093 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)[C@H]1CCCO1 ZINC000183138332 402742406 /nfs/dbraw/zinc/74/24/06/402742406.db2.gz RCXUDTLHKWNLCE-MWLCHTKSSA-N 1 0 302.827 2.175 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2nc3cccnc3s2)C1 ZINC000193984821 402780966 /nfs/dbraw/zinc/78/09/66/402780966.db2.gz PENWNAMAVVCTGH-PWSUYJOCSA-N 1 0 304.419 2.150 10 0 DEAERO CCCS(=O)(=O)CC[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000183173500 402744663 /nfs/dbraw/zinc/74/46/63/402744663.db2.gz CLXSVERPNLNSTE-CQSZACIVSA-N 1 0 321.446 2.348 10 0 DEAERO Cc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000183187992 402745884 /nfs/dbraw/zinc/74/58/84/402745884.db2.gz JKEHHSKGCULUHR-GOEBONIOSA-N 1 0 311.447 2.316 10 0 DEAERO COc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCCO2)cc1Cl ZINC000183222884 402748769 /nfs/dbraw/zinc/74/87/69/402748769.db2.gz MOCWKKFZMJPRDK-ZWNOBZJWSA-N 1 0 312.797 2.444 10 0 DEAERO Cc1ccc(-c2cc(-c3nc([C@H]4C[NH2+]CCN4C)no3)n[nH]2)cc1 ZINC000263269750 402752525 /nfs/dbraw/zinc/75/25/25/402752525.db2.gz SBXGIPWBFIFBQZ-OAHLLOKOSA-N 1 0 324.388 2.011 10 0 DEAERO C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183614420 402781611 /nfs/dbraw/zinc/78/16/11/402781611.db2.gz IZSSNEJDFDKMDS-FZMZJTMJSA-N 1 0 319.430 2.451 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(CCc2ccccc2Cl)n1 ZINC000263301542 402755877 /nfs/dbraw/zinc/75/58/77/402755877.db2.gz XBKLCXSNBVQQBR-ZDUSSCGKSA-N 1 0 306.797 2.084 10 0 DEAERO C[C@@H]1CCc2c(-c3nc([C@@H]4C[NH2+]CCN4C)no3)csc2C1 ZINC000263312539 402757331 /nfs/dbraw/zinc/75/73/31/402757331.db2.gz YXPISMVDXVUCEP-MFKMUULPSA-N 1 0 318.446 2.499 10 0 DEAERO Cc1cc(C)cc(C2(c3nc([C@H]4C[NH2+]CCN4C)no3)CC2)c1 ZINC000263317367 402757884 /nfs/dbraw/zinc/75/78/84/402757884.db2.gz ZSBAZCBOUBLMQQ-OAHLLOKOSA-N 1 0 312.417 2.342 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC000263314725 402757903 /nfs/dbraw/zinc/75/79/03/402757903.db2.gz ZIAFMXAONAANBI-OUJBWJOFSA-N 1 0 320.343 2.195 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)OCCO2 ZINC000174980851 402768658 /nfs/dbraw/zinc/76/86/58/402768658.db2.gz PUPKTGKWFJOREK-HUUCEWRRSA-N 1 0 316.401 2.157 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000175029845 402773108 /nfs/dbraw/zinc/77/31/08/402773108.db2.gz CBNJVXXRPHQRDG-CHWSQXEVSA-N 1 0 304.438 2.406 10 0 DEAERO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC([NH+](C)C)CC1 ZINC000175086982 402778090 /nfs/dbraw/zinc/77/80/90/402778090.db2.gz HPLPQWUAAPONND-CYBMUJFWSA-N 1 0 321.490 2.047 10 0 DEAERO COc1cccc(OC)c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000175104704 402779479 /nfs/dbraw/zinc/77/94/79/402779479.db2.gz QUGAXLBULRNIMJ-QWHCGFSZSA-N 1 0 306.406 2.259 10 0 DEAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000182893543 402725055 /nfs/dbraw/zinc/72/50/55/402725055.db2.gz WJXDXSMXTOEQFI-YOEHRIQHSA-N 1 0 310.397 2.287 10 0 DEAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183689886 402789014 /nfs/dbraw/zinc/78/90/14/402789014.db2.gz ULSJRKIKOMCBIW-PMPSAXMXSA-N 1 0 309.498 2.201 10 0 DEAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCOCC1CCC1 ZINC000566536169 292249682 /nfs/dbraw/zinc/24/96/82/292249682.db2.gz NKGFJAHXKMLDAK-HUUCEWRRSA-N 1 0 311.470 2.223 10 0 DEAERO CCC[C@@H](C(=O)N1CC[C@@](C(=O)OCC)(C(C)C)C1)[NH+](C)C ZINC000194325156 402791926 /nfs/dbraw/zinc/79/19/26/402791926.db2.gz NGVRSSIEFYHYTH-YOEHRIQHSA-N 1 0 312.454 2.155 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(C(=O)OC)ccc2F)C1 ZINC000194340993 402792816 /nfs/dbraw/zinc/79/28/16/402792816.db2.gz CMNXTSYDQFQRLZ-GFCCVEGCSA-N 1 0 323.368 2.218 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000194353569 402793681 /nfs/dbraw/zinc/79/36/81/402793681.db2.gz MWBKSMVEJMAIKJ-GDBMZVCRSA-N 1 0 322.424 2.389 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(SC)n3ccccc23)C1 ZINC000194401166 402795783 /nfs/dbraw/zinc/79/57/83/402795783.db2.gz UXMWZYHCMKKBKM-GFCCVEGCSA-N 1 0 318.446 2.270 10 0 DEAERO CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccncc1 ZINC000175311135 402796716 /nfs/dbraw/zinc/79/67/16/402796716.db2.gz HAAXUJRIGGDVKW-CVEARBPZSA-N 1 0 300.406 2.188 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(C)Cc1ccccc1C ZINC000175361848 402799992 /nfs/dbraw/zinc/79/99/92/402799992.db2.gz TYNWCTIXAOHBLS-GOSISDBHSA-N 1 0 317.477 2.370 10 0 DEAERO CC(C)(C)OC(=O)CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183849441 402801389 /nfs/dbraw/zinc/80/13/89/402801389.db2.gz CJUNBEKYVMVODC-UHFFFAOYSA-N 1 0 305.422 2.326 10 0 DEAERO O=C(c1c[nH]nc1-c1ccccc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194534626 402802177 /nfs/dbraw/zinc/80/21/77/402802177.db2.gz SYCJPBJEWHDBKZ-UHFFFAOYSA-N 1 0 310.401 2.387 10 0 DEAERO C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000175414677 402804682 /nfs/dbraw/zinc/80/46/82/402804682.db2.gz IDPXQAJHNVOGSO-GDBMZVCRSA-N 1 0 311.470 2.101 10 0 DEAERO O=C(c1ccc(OCC2CC2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195337565 402842810 /nfs/dbraw/zinc/84/28/10/402842810.db2.gz GXOSMCJMSULEKW-MRXNPFEDSA-N 1 0 300.402 2.396 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c(C)nn(C(F)F)c2C)C1 ZINC000194651079 402807884 /nfs/dbraw/zinc/80/78/84/402807884.db2.gz PWMNOIKJNFYIDS-GFCCVEGCSA-N 1 0 314.380 2.038 10 0 DEAERO CCC1(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCC1 ZINC000175459998 402808462 /nfs/dbraw/zinc/80/84/62/402808462.db2.gz AVNPZQFJKNPQNN-UHFFFAOYSA-N 1 0 316.449 2.043 10 0 DEAERO COC(=O)c1coc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000184005180 402811555 /nfs/dbraw/zinc/81/15/55/402811555.db2.gz LYJHRXIMBULTST-CYBMUJFWSA-N 1 0 322.405 2.164 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000194719953 402812246 /nfs/dbraw/zinc/81/22/46/402812246.db2.gz NRINXQMWMJGOAG-ZDUSSCGKSA-N 1 0 300.324 2.458 10 0 DEAERO Cc1nc(-c2c[nH]c(C(=O)NC[C@@H]3CCC[N@H+]3C)c2)cs1 ZINC000194721708 402812328 /nfs/dbraw/zinc/81/23/28/402812328.db2.gz ISCGQSKLHMWNAW-LBPRGKRZSA-N 1 0 304.419 2.271 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCc1cccc2c1OCO2 ZINC000184097179 402817963 /nfs/dbraw/zinc/81/79/63/402817963.db2.gz ISACGHKGZQOLSP-HNNXBMFYSA-N 1 0 320.433 2.440 10 0 DEAERO COc1cccc([C@H](C)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000175651856 402823424 /nfs/dbraw/zinc/82/34/24/402823424.db2.gz BDNUKIVPQLKVEN-YOEHRIQHSA-N 1 0 301.390 2.354 10 0 DEAERO Cn1c2ccc(C[N@H+](C)CC3CCOCC3)cc2sc1=O ZINC000195016122 402826816 /nfs/dbraw/zinc/82/68/16/402826816.db2.gz SBYHSIPUIGKTOW-UHFFFAOYSA-N 1 0 306.431 2.458 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000175773151 402831122 /nfs/dbraw/zinc/83/11/22/402831122.db2.gz UQNLKGRLPFKEFS-UHFFFAOYSA-N 1 0 307.442 2.031 10 0 DEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000195206653 402836474 /nfs/dbraw/zinc/83/64/74/402836474.db2.gz NAROCYUJUKZADN-LSDHHAIUSA-N 1 0 322.453 2.039 10 0 DEAERO C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H]2COc3ccccc32)C1 ZINC000195197586 402836672 /nfs/dbraw/zinc/83/66/72/402836672.db2.gz YHZZNSJJJRNQTJ-DZGCQCFKSA-N 1 0 303.406 2.151 10 0 DEAERO O=C(c1csc(-c2ccsc2)n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195233129 402838231 /nfs/dbraw/zinc/83/82/31/402838231.db2.gz RKRRNZFJEHIRIV-PHIMTYICSA-N 1 0 305.428 2.163 10 0 DEAERO C[C@@H]1CN(CCN(C)c2ncnc3ccccc32)C[C@H](C)O1 ZINC000278937089 402887588 /nfs/dbraw/zinc/88/75/88/402887588.db2.gz VSDJTIJSIHYHCG-OKILXGFUSA-N 1 0 300.406 2.175 10 0 DEAERO c1cnn(-c2cncc(N3CCCC[C@@H]([NH+]4CCCC4)C3)n2)c1 ZINC000264667168 402891359 /nfs/dbraw/zinc/89/13/59/402891359.db2.gz ZPGFGQJWCAVIHC-OAHLLOKOSA-N 1 0 312.421 2.117 10 0 DEAERO Cc1ccc2ncnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000267435984 403038969 /nfs/dbraw/zinc/03/89/69/403038969.db2.gz XVJVYMQVLKFYNH-HNNXBMFYSA-N 1 0 312.417 2.097 10 0 DEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000282389872 403149260 /nfs/dbraw/zinc/14/92/60/403149260.db2.gz OXAUHYSSTLHMFQ-PELKAZGASA-N 1 0 315.186 2.345 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000277890527 403268206 /nfs/dbraw/zinc/26/82/06/403268206.db2.gz OMXNVHMATHCWJD-WQGACYEGSA-N 1 0 304.390 2.231 10 0 DEAERO CC(C)(C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O ZINC000285774567 403377287 /nfs/dbraw/zinc/37/72/87/403377287.db2.gz WJMTZKHUGREKIP-LSDHHAIUSA-N 1 0 301.390 2.203 10 0 DEAERO Cc1nnc2ccc(NC[C@]3([NH+](C)C)CCC[C@H](C)C3)nn12 ZINC000301070593 403585807 /nfs/dbraw/zinc/58/58/07/403585807.db2.gz GMUAGRNLCQLKTL-LRDDRELGSA-N 1 0 302.426 2.355 10 0 DEAERO COc1c(F)cc(NC(=O)N2CCC3(CC[NH2+]3)CC2)cc1F ZINC000333297691 403719685 /nfs/dbraw/zinc/71/96/85/403719685.db2.gz PPAGSKOFSBAWSI-UHFFFAOYSA-N 1 0 311.332 2.333 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)C12CCCC2 ZINC000333418717 403747457 /nfs/dbraw/zinc/74/74/57/403747457.db2.gz SFFDRQWSKNFDDI-SOUVJXGZSA-N 1 0 309.454 2.166 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000333658905 403806159 /nfs/dbraw/zinc/80/61/59/403806159.db2.gz WSZWDTYBUKJLCJ-ULKVUYOBSA-N 1 0 309.360 2.473 10 0 DEAERO c1ccc(OC2CC2)c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000289023780 403810125 /nfs/dbraw/zinc/81/01/25/403810125.db2.gz AWCWLCIEJLVECP-MRXNPFEDSA-N 1 0 316.445 2.382 10 0 DEAERO C[C@H](NC(=O)N[C@H]1CCCC[NH2+]C1)[C@@H]1OCCc2sccc21 ZINC000333579029 403783478 /nfs/dbraw/zinc/78/34/78/403783478.db2.gz NKWSLUKLGIETHR-HUBLWGQQSA-N 1 0 323.462 2.192 10 0 DEAERO CC(C)[C@@H]1C[C@@H](NC(=O)N2CCC([NH2+]CC3CC3)CC2)CCO1 ZINC000333580360 403785174 /nfs/dbraw/zinc/78/51/74/403785174.db2.gz NPFRXNBYLACCGN-IRXDYDNUSA-N 1 0 323.481 2.364 10 0 DEAERO COc1ccc(-c2noc(N3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000333590757 403786671 /nfs/dbraw/zinc/78/66/71/403786671.db2.gz VCXSNTRQPXMWBA-KRWDZBQOSA-N 1 0 314.389 2.325 10 0 DEAERO COc1ccc(-c2noc(N3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000333590759 403786675 /nfs/dbraw/zinc/78/66/75/403786675.db2.gz VCXSNTRQPXMWBA-QGZVFWFLSA-N 1 0 314.389 2.325 10 0 DEAERO CC(C)O[C@@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1(C)C ZINC000333626201 403796550 /nfs/dbraw/zinc/79/65/50/403796550.db2.gz SFOAFHIQYRJDHA-LSDHHAIUSA-N 1 0 323.481 2.364 10 0 DEAERO CC(C)(C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C1(O)CCOCC1 ZINC000333939954 403901809 /nfs/dbraw/zinc/90/18/09/403901809.db2.gz NQIDWPIIEAREBS-ZNMIVQPWSA-N 1 0 311.466 2.347 10 0 DEAERO CN(C[C@@H]1OCCc2ccccc21)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333777347 403856724 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Cn1ccc(N2CCC[C@H]([NH2+][C@H]3CC[C@@H]3C3CCC3)C2=O)n1 ZINC000558696368 405691895 /nfs/dbraw/zinc/69/18/95/405691895.db2.gz UHUGSZYLQONHLW-ILXRZTDVSA-N 1 0 302.422 2.084 10 0 DEAERO CC(C)(C)NC(=O)NC(=O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000559307130 405731399 /nfs/dbraw/zinc/73/13/99/405731399.db2.gz OPUFLLXXEHAVBT-UHFFFAOYSA-N 1 0 307.438 2.025 10 0 DEAERO CC(=O)c1ccc(CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000636096201 405736270 /nfs/dbraw/zinc/73/62/70/405736270.db2.gz UNRZSDFQLYMPIS-CALCHBBNSA-N 1 0 300.402 2.175 10 0 DEAERO c1ccc(OCCCCN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000494690445 405747452 /nfs/dbraw/zinc/74/74/52/405747452.db2.gz KVEQPTUEUWURSD-SFHVURJKSA-N 1 0 318.461 2.500 10 0 DEAERO Cc1ccc(Br)c(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000638898595 405748739 /nfs/dbraw/zinc/74/87/39/405748739.db2.gz BCYRTVZVTKRXAI-GHMZBOCLSA-N 1 0 311.223 2.424 10 0 DEAERO COCCC1(C)CN(C(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000459103698 405748774 /nfs/dbraw/zinc/74/87/74/405748774.db2.gz 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ZINC000132856759 196291161 /nfs/dbraw/zinc/29/11/61/196291161.db2.gz PSVMUWMIYYVMFI-LBPRGKRZSA-N 1 0 302.216 2.041 10 0 DEAERO CC(C)n1ncc(Br)c1[C@@H](O)[C@H]1CCC[NH2+]C1 ZINC000132873360 196292004 /nfs/dbraw/zinc/29/20/04/196292004.db2.gz FJTLJXGUBOVKAS-CABZTGNLSA-N 1 0 302.216 2.260 10 0 DEAERO Cc1cc(Cl)c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c(Cl)n1 ZINC000132874215 196292645 /nfs/dbraw/zinc/29/26/45/196292645.db2.gz XRJZLJQGTDZOPQ-BXKDBHETSA-N 1 0 304.221 2.245 10 0 DEAERO CC[NH2+]Cc1sc(N2CCS(=O)CC2)nc1[C@H](C)CC ZINC000133100885 196312081 /nfs/dbraw/zinc/31/20/81/196312081.db2.gz UPCIDGOQEQLGFL-LLVKDONJSA-N 1 0 315.508 2.335 10 0 DEAERO COC(=O)C[C@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1cccs1 ZINC000133171187 196317969 /nfs/dbraw/zinc/31/79/69/196317969.db2.gz USKMLPUUZOAYNO-NHYWBVRUSA-N 1 0 310.419 2.001 10 0 DEAERO C[C@H]([NH3+])CCCC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000133189117 196319286 /nfs/dbraw/zinc/31/92/86/196319286.db2.gz JPDNLUXMBHYACR-QMMMGPOBSA-N 1 0 311.769 2.127 10 0 DEAERO COC(=O)[C@H]1CCCC[N@@H+]1[C@H]1CCOC2(CCSCC2)C1 ZINC000133861016 196340095 /nfs/dbraw/zinc/34/00/95/196340095.db2.gz PUQGDISYSLZOEU-UONOGXRCSA-N 1 0 313.463 2.459 10 0 DEAERO [NH3+]CCc1nc(-c2nn3c(nnc3C3CCC3)s2)cs1 ZINC000134106020 196361820 /nfs/dbraw/zinc/36/18/20/196361820.db2.gz GOLFNJNVTPYNQS-UHFFFAOYSA-N 1 0 306.420 2.078 10 0 DEAERO C[N@@H+]1CCC[C@@H](Nc2cc(NS(C)(=O)=O)ccc2Cl)C1 ZINC000134258411 196375289 /nfs/dbraw/zinc/37/52/89/196375289.db2.gz VXZIRPAYFBMFFU-LLVKDONJSA-N 1 0 317.842 2.218 10 0 DEAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc(Br)c[nH]1 ZINC000134524866 196398080 /nfs/dbraw/zinc/39/80/80/196398080.db2.gz ZEIGWRUXYXJRLX-UHFFFAOYSA-N 1 0 320.190 2.310 10 0 DEAERO CSc1nnc(S[C@@H](c2cnn(C)c2)[C@@H](C)[NH3+])s1 ZINC000135569514 196488544 /nfs/dbraw/zinc/48/85/44/196488544.db2.gz GSITTZLSNJFFHB-HTRCEHHLSA-N 1 0 301.466 2.174 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1O[C@H]1CCCC[C@H]1[NH3+] ZINC000136484695 196539013 /nfs/dbraw/zinc/53/90/13/196539013.db2.gz DUHLUTSMSORYTL-OLZOCXBDSA-N 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C[C@@]1(CNc2nccn3cnnc23)CCC[N@@H+]1Cc1ccccc1 ZINC000372263340 424883636 /nfs/dbraw/zinc/88/36/36/424883636.db2.gz VZLUKWNTZQYNKV-SFHVURJKSA-N 1 0 322.416 2.591 10 0 DEAERO CN(Cc1ccc(Br)cc1F)C[C@@H]1C[NH2+]CCO1 ZINC000125517928 424855906 /nfs/dbraw/zinc/85/59/06/424855906.db2.gz CJQNNUVMQOFRSU-LBPRGKRZSA-N 1 0 317.202 2.008 10 0 DEAERO C[C@H](CCO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000132928540 424859187 /nfs/dbraw/zinc/85/91/87/424859187.db2.gz KQPDLMCHSUVUNJ-ZJUUUORDSA-N 1 0 308.205 2.094 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1nc(C)c(C)s1 ZINC000177559995 424863670 /nfs/dbraw/zinc/86/36/70/424863670.db2.gz ZKSWXZZOTKNCTJ-CYBMUJFWSA-N 1 0 310.467 2.386 10 0 DEAERO Cc1nc(N)nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000379686927 424907806 /nfs/dbraw/zinc/90/78/06/424907806.db2.gz BYFJHDNUQYRWBW-IUODEOHRSA-N 1 0 312.421 2.227 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000384052939 424910436 /nfs/dbraw/zinc/91/04/36/424910436.db2.gz VFHGRMVIVQGXRV-SQNIBIBYSA-N 1 0 316.445 2.427 10 0 DEAERO Cc1oc(Br)cc1C(=O)NCCC1(C[NH3+])CC1 ZINC000404515428 424927968 /nfs/dbraw/zinc/92/79/68/424927968.db2.gz IUKDZBBQEOLRTK-UHFFFAOYSA-N 1 0 301.184 2.209 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000404650147 424928441 /nfs/dbraw/zinc/92/84/41/424928441.db2.gz QTPJRIPTXDHUED-UHFFFAOYSA-N 1 0 302.827 2.056 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2nscc2Br)CC[N@@H+]1C ZINC000404941999 424930488 /nfs/dbraw/zinc/93/04/88/424930488.db2.gz MILOHDNXHOXTQR-JGVFFNPUSA-N 1 0 318.240 2.118 10 0 DEAERO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249573267 424887691 /nfs/dbraw/zinc/88/76/91/424887691.db2.gz OTZWXAGASLCMRX-DNVCBOLYSA-N 1 0 318.461 2.436 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@@H](O)COCc2ccccc2)C1 ZINC000249574727 424887811 /nfs/dbraw/zinc/88/78/11/424887811.db2.gz PFVYINXGIYXIJE-KBAYOESNSA-N 1 0 307.434 2.047 10 0 DEAERO Fc1cc(Br)cc(C[NH2+]C2COCCOC2)c1 ZINC000310543981 424894680 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CO[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[C@H]1C ZINC000187416563 267663135 /nfs/dbraw/zinc/66/31/35/267663135.db2.gz OKIKARMJXVXRFC-HIFRSBDPSA-N 1 0 311.470 2.316 10 0 DEAERO CCc1cccc(C)c1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000194147976 267777656 /nfs/dbraw/zinc/77/76/56/267777656.db2.gz AWHCDEPGCCBTQI-OAHLLOKOSA-N 1 0 317.433 2.096 10 0 DEAERO CN(C(=O)c1ccc(Br)o1)[C@@H](C[NH3+])C(F)(F)F ZINC000662974977 425768602 /nfs/dbraw/zinc/76/86/02/425768602.db2.gz CIWQSUCNUHCCHB-LURJTMIESA-N 1 0 315.089 2.004 10 0 DEAERO Cc1cnc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000333147580 268892210 /nfs/dbraw/zinc/89/22/10/268892210.db2.gz MBAFJZKGYZTZPE-STQMWFEESA-N 1 0 324.450 2.202 10 0 DEAERO Cc1nc(CCNC(=O)N2CCC3(CC[NH2+]C3)CC2)sc1C ZINC000333418713 268943100 /nfs/dbraw/zinc/94/31/00/268943100.db2.gz SFEKYLCFMYWZMW-UHFFFAOYSA-N 1 0 322.478 2.088 10 0 DEAERO Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333674047 268975430 /nfs/dbraw/zinc/97/54/30/268975430.db2.gz DCDPXZOQNOOILQ-JSGCOSHPSA-N 1 0 303.797 2.309 10 0 DEAERO Cc1c(C(=O)N2CCC3(CC[NH2+]3)CC2)cnn1-c1cccc(C)c1 ZINC000333776285 268990292 /nfs/dbraw/zinc/99/02/92/268990292.db2.gz CZGVINLVLKEQGQ-UHFFFAOYSA-N 1 0 324.428 2.457 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC(OC2CCCC2)CC1 ZINC000333883561 269000017 /nfs/dbraw/zinc/00/00/17/269000017.db2.gz WSKICJYRXOFNHJ-CQSZACIVSA-N 1 0 309.454 2.262 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397304642 269105589 /nfs/dbraw/zinc/10/55/89/269105589.db2.gz GFKASXNMJQTFGR-NUJGCVRESA-N 1 0 317.477 2.340 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398865686 269109704 /nfs/dbraw/zinc/10/97/04/269109704.db2.gz SLABJUUSPZSMOD-BZSNNMDCSA-N 1 0 316.445 2.128 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCc3sccc3C2)CC[C@@H]1C ZINC000251864543 274066632 /nfs/dbraw/zinc/06/66/32/274066632.db2.gz ONOVJJQBVUPFLB-GZBFAFLISA-N 1 0 322.474 2.378 10 0 DEAERO CSc1nc2ncnc(N3CC[N@@H+]4CCC[C@@H]4C3)c2s1 ZINC000171939474 274190042 /nfs/dbraw/zinc/19/00/42/274190042.db2.gz IABLCNFDLTZICH-SECBINFHSA-N 1 0 307.448 2.093 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(-n2ccnc2)cc1 ZINC000180590692 274263613 /nfs/dbraw/zinc/26/36/13/274263613.db2.gz STLHUCOQJXIMOD-HIFRSBDPSA-N 1 0 308.389 2.129 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000187931652 274319076 /nfs/dbraw/zinc/31/90/76/274319076.db2.gz NEDCAVJGVMHBLY-ABAIWWIYSA-N 1 0 311.813 2.156 10 0 DEAERO C[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1N1CCOCC1 ZINC000246455520 274354525 /nfs/dbraw/zinc/35/45/25/274354525.db2.gz MZIAYAOBHFPVPT-CRAIPNDOSA-N 1 0 311.429 2.387 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)c2cccc(C(F)(F)F)n2)CC[N@@H+]1C ZINC000449941310 274391340 /nfs/dbraw/zinc/39/13/40/274391340.db2.gz PICFJDCYEDNAQF-ZJUUUORDSA-N 1 0 301.312 2.313 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)[C@@H]1CCCO1 ZINC000183087014 274510547 /nfs/dbraw/zinc/51/05/47/274510547.db2.gz WGLGVOSXLWHIEN-JSGCOSHPSA-N 1 0 306.431 2.282 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1nc2ccc(Cl)cc2n1C ZINC000180163575 274514328 /nfs/dbraw/zinc/51/43/28/274514328.db2.gz GDYRREHBRNYRES-WCQYABFASA-N 1 0 322.840 2.208 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000105881641 274829997 /nfs/dbraw/zinc/82/99/97/274829997.db2.gz DLXGJWIOWQTOQD-HNNXBMFYSA-N 1 0 300.406 2.425 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc2ccccc21 ZINC000123936381 274949537 /nfs/dbraw/zinc/94/95/37/274949537.db2.gz IEGMFOFCORUZGU-DZGCQCFKSA-N 1 0 304.415 2.246 10 0 DEAERO Brc1cccc2c1OCC[C@@H]2[NH2+]CC1OCCO1 ZINC000281927139 275374877 /nfs/dbraw/zinc/37/48/77/275374877.db2.gz CZSCMJAEDGKWKJ-NSHDSACASA-N 1 0 314.179 2.235 10 0 DEAERO Brc1cncnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000362202114 275378022 /nfs/dbraw/zinc/37/80/22/275378022.db2.gz RDBHJAZLCUWFPO-LLVKDONJSA-N 1 0 311.227 2.304 10 0 DEAERO Brc1cncnc1N1CCC([NH+]2CCCC2)CC1 ZINC000370497007 275378024 /nfs/dbraw/zinc/37/80/24/275378024.db2.gz ZMHKQDBMNYXJAR-UHFFFAOYSA-N 1 0 311.227 2.304 10 0 DEAERO CC(C)Cn1c(=O)c2sccc2nc1N1CCC[C@@H]([NH3+])C1 ZINC000057346569 275604182 /nfs/dbraw/zinc/60/41/82/275604182.db2.gz QPMQPJWWWBBVMG-LLVKDONJSA-N 1 0 306.435 2.042 10 0 DEAERO C(CN1C[C@H]2CC[C@@H](C1)O2)[NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000451232541 275724816 /nfs/dbraw/zinc/72/48/16/275724816.db2.gz YKPHPHRVCBQJCO-ICUGJSFKSA-N 1 0 308.466 2.035 10 0 DEAERO CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000094325204 275812124 /nfs/dbraw/zinc/81/21/24/275812124.db2.gz AXIYEVFTKLLFEL-KBPBESRZSA-N 1 0 302.484 2.216 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCOC[C@H]2c2ccc(C)o2)C1 ZINC000247209031 276166591 /nfs/dbraw/zinc/16/65/91/276166591.db2.gz ULNSNXMAGZRBLF-CABCVRRESA-N 1 0 321.421 2.155 10 0 DEAERO CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261846867 276382933 /nfs/dbraw/zinc/38/29/33/276382933.db2.gz AWXOGMZQMRMVCR-GVDBMIGSSA-N 1 0 304.434 2.332 10 0 DEAERO CCn1c2ccc(Br)cc2nc1NC(=O)[C@@H](C)[NH3+] ZINC000158163849 276711221 /nfs/dbraw/zinc/71/12/21/276711221.db2.gz FKYRBLYJQABWDM-SSDOTTSWSA-N 1 0 311.183 2.104 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCCOc3c(F)cccc32)C1 ZINC000183827687 276795340 /nfs/dbraw/zinc/79/53/40/276795340.db2.gz MUWKKVZORDGMQN-WFASDCNBSA-N 1 0 321.396 2.385 10 0 DEAERO CC(=O)NCCC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000249463075 277030988 /nfs/dbraw/zinc/03/09/88/277030988.db2.gz ROGXHOPBABFTJR-XHSDSOJGSA-N 1 0 324.465 2.487 10 0 DEAERO COC(=O)C1(NC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)CCCCC1 ZINC000174014700 277050410 /nfs/dbraw/zinc/05/04/10/277050410.db2.gz NFOZKVTVFPDACE-KGLIPLIRSA-N 1 0 310.438 2.099 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(NC=O)cc2)[C@H]1c1ccccc1 ZINC000252801461 277137297 /nfs/dbraw/zinc/13/72/97/277137297.db2.gz JOTUAVSWHCGFET-QZTJIDSGSA-N 1 0 323.396 2.430 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@](C)(CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000195169471 277191971 /nfs/dbraw/zinc/19/19/71/277191971.db2.gz MMSCLSXGTUQSRM-QAPCUYQASA-N 1 0 323.481 2.414 10 0 DEAERO CC(C)(O)C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000189895134 277314008 /nfs/dbraw/zinc/31/40/08/277314008.db2.gz UPDVNZQNHBDEIN-NSHDSACASA-N 1 0 322.371 2.023 10 0 DEAERO C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000353089467 277728764 /nfs/dbraw/zinc/72/87/64/277728764.db2.gz MRRSPJSEVINTPA-KSVUCXBSSA-N 1 0 322.474 2.494 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2cccc3ccccc32)[C@@H](C)C[NH2+]1 ZINC000156185186 277910788 /nfs/dbraw/zinc/91/07/88/277910788.db2.gz JLPUZXCDOGSSLB-OLZOCXBDSA-N 1 0 304.415 2.211 10 0 DEAERO COc1cccc2c1CC[N@H+](C[C@H]1CCNC(=O)CC1)CC2 ZINC000450874422 278029002 /nfs/dbraw/zinc/02/90/02/278029002.db2.gz LWNNJFSIGFJOPD-CQSZACIVSA-N 1 0 302.418 2.012 10 0 DEAERO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000119665018 278055745 /nfs/dbraw/zinc/05/57/45/278055745.db2.gz LJPTWPVWJAJBFV-ZFWWWQNUSA-N 1 0 300.406 2.358 10 0 DEAERO CC(C)c1nnc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000450596225 278099370 /nfs/dbraw/zinc/09/93/70/278099370.db2.gz FUAQDRQUSITTIU-HZSPNIEDSA-N 1 0 324.494 2.345 10 0 DEAERO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187850091 278292155 /nfs/dbraw/zinc/29/21/55/278292155.db2.gz CTGVROXYRCAQJW-UONOGXRCSA-N 1 0 311.447 2.396 10 0 DEAERO C[C@@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)[C@H]1CCCO1 ZINC000183130489 278339252 /nfs/dbraw/zinc/33/92/52/278339252.db2.gz IDQIBHXGGSPKMB-ZYHUDNBSSA-N 1 0 305.403 2.392 10 0 DEAERO CCC[NH+](CCC)CCCNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000076388127 278781899 /nfs/dbraw/zinc/78/18/99/278781899.db2.gz VQAHVPHMWPQQEH-HNNXBMFYSA-N 1 0 319.515 2.065 10 0 DEAERO CC(C)C[C@H](C)S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000118426698 279116767 /nfs/dbraw/zinc/11/67/67/279116767.db2.gz UYKCNGDEKUFIBA-AWEZNQCLSA-N 1 0 302.484 2.311 10 0 DEAERO C[C@H](C(=O)N1CCC[C@H]1c1cnn(C)c1)[NH+]1CCCCCC1 ZINC000176000502 279195995 /nfs/dbraw/zinc/19/59/95/279195995.db2.gz KHKXUTSPUROVSJ-ZBFHGGJFSA-N 1 0 304.438 2.348 10 0 DEAERO CC(C)S(=O)(=O)CCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128774683 279742223 /nfs/dbraw/zinc/74/22/23/279742223.db2.gz PQXAEVLQTJONBX-GJZGRUSLSA-N 1 0 313.467 2.170 10 0 DEAERO Cc1c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)oc2c1C(=O)CCC2 ZINC000247541536 280212210 /nfs/dbraw/zinc/21/22/10/280212210.db2.gz YLPIZNZDYQSKJB-YPMHNXCESA-N 1 0 316.401 2.416 10 0 DEAERO Cc1c2ccccc2oc(=O)c1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177200517 280271317 /nfs/dbraw/zinc/27/13/17/280271317.db2.gz BNFPQKUIOWYSDB-ZDUSSCGKSA-N 1 0 312.369 2.022 10 0 DEAERO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000248803843 280304045 /nfs/dbraw/zinc/30/40/45/280304045.db2.gz ATMKARQLSOHICJ-GDBMZVCRSA-N 1 0 316.401 2.025 10 0 DEAERO CC[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000184217693 280679766 /nfs/dbraw/zinc/67/97/66/280679766.db2.gz SKZAEZRLAKKRKW-IRXDYDNUSA-N 1 0 322.424 2.282 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC(=O)OC(C)(C)C ZINC000249311306 281196710 /nfs/dbraw/zinc/19/67/10/281196710.db2.gz OEKGJSMQULQXPU-KBPBESRZSA-N 1 0 310.438 2.194 10 0 DEAERO CC[C@H]1[C@@H](C)CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000185369046 281264851 /nfs/dbraw/zinc/26/48/51/281264851.db2.gz FMHVAJLBAQTOME-HOCLYGCPSA-N 1 0 316.449 2.094 10 0 DEAERO CC[C@@](C)(O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000123335225 281783735 /nfs/dbraw/zinc/78/37/35/281783735.db2.gz BPCWOWSUROUZFI-MRXNPFEDSA-N 1 0 310.825 2.259 10 0 DEAERO C[C@H](C(=O)N1CCO[C@H](c2ccccc2Cl)C1)C1C[NH2+]C1 ZINC000262583017 289293124 /nfs/dbraw/zinc/29/31/24/289293124.db2.gz UUUQLRURFRNJIL-NHYWBVRUSA-N 1 0 308.809 2.095 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCOC3(CCCC3)C2)C1 ZINC000091767368 289327511 /nfs/dbraw/zinc/32/75/11/289327511.db2.gz HLMMERAKVZOMRO-RRFJBIMHSA-N 1 0 309.454 2.260 10 0 DEAERO CO[C@@](C)(C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1F ZINC000191998970 294045067 /nfs/dbraw/zinc/04/50/67/294045067.db2.gz NECYMVNQIZZBOS-GOSISDBHSA-N 1 0 320.408 2.384 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccnc1C(F)(F)F ZINC000252736435 297100420 /nfs/dbraw/zinc/10/04/20/297100420.db2.gz VOFKMGOYHGFVSF-MNOVXSKESA-N 1 0 313.323 2.409 10 0 DEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000245580960 297599418 /nfs/dbraw/zinc/59/94/18/297599418.db2.gz HDHKMEPAJVGPNH-CFMVVWHZSA-N 1 0 308.809 2.379 10 0 DEAERO C[C@H](NC(=O)CC(C)(C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000364481252 299040640 /nfs/dbraw/zinc/04/06/40/299040640.db2.gz GECKYIJPPOPYFC-AVOUXACISA-N 1 0 323.481 2.059 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])c(Cl)cc1F ZINC000237782995 301382102 /nfs/dbraw/zinc/38/21/02/301382102.db2.gz MNGZCBUDVPAJJA-JTQLQIEISA-N 1 0 320.817 2.289 10 0 DEAERO Cc1cc2c(cc1C)O[C@@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)C2 ZINC000186549547 301438241 /nfs/dbraw/zinc/43/82/41/301438241.db2.gz SSJROVSPVHPQRV-MAUKXSAKSA-N 1 0 314.429 2.350 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000262492796 301765076 /nfs/dbraw/zinc/76/50/76/301765076.db2.gz ANRIWFGUVXFREC-IKGGRYGDSA-N 1 0 302.418 2.412 10 0 DEAERO NC(=O)NC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000181045415 303271290 /nfs/dbraw/zinc/27/12/90/303271290.db2.gz BLMLIVBFOWFXLL-CQSZACIVSA-N 1 0 309.797 2.356 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccc(Br)cn1 ZINC000584270789 332178440 /nfs/dbraw/zinc/17/84/40/332178440.db2.gz BBZGZABVOXMDPL-SBMIAAHKSA-N 1 0 312.211 2.162 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000187661500 332980749 /nfs/dbraw/zinc/98/07/49/332980749.db2.gz GOUVLNDIWOGMFV-FUHWJXTLSA-N 1 0 306.450 2.240 10 0 DEAERO COC[C@H](C)C[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000188018460 333013889 /nfs/dbraw/zinc/01/38/89/333013889.db2.gz LRUYTLLLOMDGKH-OAHLLOKOSA-N 1 0 304.434 2.411 10 0 DEAERO COC[C@H](C)C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000188568309 333049011 /nfs/dbraw/zinc/04/90/11/333049011.db2.gz VYVQPGRMCLZMMM-LLVKDONJSA-N 1 0 306.328 2.437 10 0 DEAERO COC[C@H](C)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000189588781 333150023 /nfs/dbraw/zinc/15/00/23/333150023.db2.gz VUAQFSMWYIFODU-CYBMUJFWSA-N 1 0 306.406 2.325 10 0 DEAERO CCc1ccc(C(=O)N2CC[NH+](C[C@@H](C)COC)CC2)cc1 ZINC000189669620 333323306 /nfs/dbraw/zinc/32/33/06/333323306.db2.gz KOUWNPBCMGRJDP-OAHLLOKOSA-N 1 0 304.434 2.289 10 0 DEAERO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1coc(Br)c1 ZINC000389815301 336906555 /nfs/dbraw/zinc/90/65/55/336906555.db2.gz LTZGLEJGLHPJHD-VIFPVBQESA-N 1 0 301.184 2.160 10 0 DEAERO CCOC[C@H](O)C[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000398045858 337305021 /nfs/dbraw/zinc/30/50/21/337305021.db2.gz BQECGONGEKTQDJ-MSOLQXFVSA-N 1 0 306.450 2.028 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398165846 337307816 /nfs/dbraw/zinc/30/78/16/337307816.db2.gz TXILHSUGYPGJMN-BPQIPLTHSA-N 1 0 306.450 2.025 10 0 DEAERO Cc1noc(C)c1-c1c[nH]c2ncc(OC3CC[NH2+]CC3)nc12 ZINC000584638855 337379670 /nfs/dbraw/zinc/37/96/70/337379670.db2.gz LRZFGWHMNBCCPO-UHFFFAOYSA-N 1 0 313.361 2.361 10 0 DEAERO c1ncn(Cc2ccc(C[NH2+]Cc3ccc4c[nH]nc4c3)cc2)n1 ZINC000343919818 500689681 /nfs/dbraw/zinc/68/96/81/500689681.db2.gz RVGDLVREMNKGLI-UHFFFAOYSA-N 1 0 318.384 2.493 10 0 DEAERO COc1ccc(C[C@H](C)C[N@@H+]2CCN(CCO)[C@H](C)C2)cc1F ZINC000190239065 533777921 /nfs/dbraw/zinc/77/79/21/533777921.db2.gz HMSYMDINFHLHNB-LSDHHAIUSA-N 1 0 324.440 2.011 10 0 DEAERO Cc1cc(C)nc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C(F)(F)F)c1 ZINC000299743414 534138129 /nfs/dbraw/zinc/13/81/29/534138129.db2.gz KZIMACZNVKQVHY-GHMZBOCLSA-N 1 0 301.312 2.377 10 0 DEAERO CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000365071356 519511110 /nfs/dbraw/zinc/51/11/10/519511110.db2.gz ZUXHNRSMBQAYCO-OKZBNKHCSA-N 1 0 308.466 2.430 10 0 DEAERO CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1)C(C)C ZINC000105883716 519573776 /nfs/dbraw/zinc/57/37/76/519573776.db2.gz HOYLVLUKJFJZBJ-HOTGVXAUSA-N 1 0 321.469 2.024 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@@H]([NH3+])C2)no1 ZINC000246724263 519867297 /nfs/dbraw/zinc/86/72/97/519867297.db2.gz XUDSCUQLDZQJGE-XQQFMLRXSA-N 1 0 306.410 2.374 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2nccn2C(F)F)C[C@@H]1CC ZINC000105838047 519922940 /nfs/dbraw/zinc/92/29/40/519922940.db2.gz BVZIFOQKEBSQDR-ZDUSSCGKSA-N 1 0 316.396 2.211 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([S@@](C)=O)cc2)C1 ZINC000247358499 520245310 /nfs/dbraw/zinc/24/53/10/520245310.db2.gz QCNXLFIZNHCQOR-WHEQGISXSA-N 1 0 323.462 2.230 10 0 DEAERO CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000103286318 520488380 /nfs/dbraw/zinc/48/83/80/520488380.db2.gz WFWHHNDZRZAACY-LSDHHAIUSA-N 1 0 311.470 2.001 10 0 DEAERO CC1(C)C[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C(C)(C)O1 ZINC000089732589 520527417 /nfs/dbraw/zinc/52/74/17/520527417.db2.gz CFVCESOUJCNYET-UONOGXRCSA-N 1 0 304.438 2.381 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(CN2CCOCC2)cc1)[NH+](C)C ZINC000156946647 520596450 /nfs/dbraw/zinc/59/64/50/520596450.db2.gz OJXMTJNELFSLCJ-KRWDZBQOSA-N 1 0 319.449 2.188 10 0 DEAERO COc1cc(C)cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000247477585 522234808 /nfs/dbraw/zinc/23/48/08/522234808.db2.gz UCFOPZREHDYVDU-STQMWFEESA-N 1 0 306.406 2.264 10 0 DEAERO CC[C@H]1CN(CCOc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000105835862 523279162 /nfs/dbraw/zinc/27/91/62/523279162.db2.gz YPWFVGUKENHUGV-INIZCTEOSA-N 1 0 310.413 2.247 10 0 DEAERO CO[C@H](C)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000365194834 523881760 /nfs/dbraw/zinc/88/17/60/523881760.db2.gz CVRYSCQNNJVDPG-SUYBPPKGSA-N 1 0 305.422 2.411 10 0 DEAERO CC(=O)N(c1nnc(SC[C@@H](C)[NH+](C)C)s1)C1CC1 ZINC000358863724 534751009 /nfs/dbraw/zinc/75/10/09/534751009.db2.gz RJZPOHFKRSTQMT-MRVPVSSYSA-N 1 0 300.453 2.096 10 0 DEAERO COc1ccc(O)cc1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249105564 524778981 /nfs/dbraw/zinc/77/89/81/524778981.db2.gz LFCBGYOESBTWGR-MJBXVCDLSA-N 1 0 320.433 2.497 10 0 DEAERO Cc1ccc(N2CCC[N@@H+](CCOCCC(C)C)CC2)nn1 ZINC000105909409 524947808 /nfs/dbraw/zinc/94/78/08/524947808.db2.gz DTQZZUSSGPXVBI-UHFFFAOYSA-N 1 0 306.454 2.360 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000156145034 525007567 /nfs/dbraw/zinc/00/75/67/525007567.db2.gz UKDAWDUEXSQQQP-RLWBPUTGSA-N 1 0 316.401 2.057 10 0 DEAERO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H](C)CO ZINC000246768343 525291800 /nfs/dbraw/zinc/29/18/00/525291800.db2.gz QIYXQVIAAFWVBJ-INMHGKMJSA-N 1 0 304.434 2.032 10 0 DEAERO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CSC(=O)N1)c1ccccc1 ZINC000155776180 525386521 /nfs/dbraw/zinc/38/65/21/525386521.db2.gz FESGACUJDONZFV-YPMHNXCESA-N 1 0 321.446 2.057 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([S@@](C)=O)cc2)CC[N@@H+]1C ZINC000245455804 525414322 /nfs/dbraw/zinc/41/43/22/525414322.db2.gz AYBHQKOGDRAZCM-MZOGBMEOSA-N 1 0 323.462 2.370 10 0 DEAERO CSCC[C@H]([NH3+])C(=O)Nc1cccc(-c2nnc(C)o2)c1 ZINC000157361573 525585365 /nfs/dbraw/zinc/58/53/65/525585365.db2.gz HMRSIUPIEAQQEY-LBPRGKRZSA-N 1 0 306.391 2.064 10 0 DEAERO 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Cc1cc([C@@H](C)NS(=O)(=O)[C@H]2CCC[NH2+]C2)c(C)s1 ZINC000049645969 622717420 /nfs/dbraw/zinc/71/74/20/622717420.db2.gz ROAOAVLGLKNKQP-PWSUYJOCSA-N 1 0 302.465 2.097 10 0 DEAERO CC(C)(C)c1ccc(OCCNC(=[NH2+])NC[C@@H]2CCCO2)cc1 ZINC000066244197 622739149 /nfs/dbraw/zinc/73/91/49/622739149.db2.gz QPNJQUPVWVSBSE-INIZCTEOSA-N 1 0 319.449 2.446 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000804778564 623237964 /nfs/dbraw/zinc/23/79/64/623237964.db2.gz VYKSQUHYMIMART-ZDUSSCGKSA-N 1 0 324.856 2.405 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000261661329 624000083 /nfs/dbraw/zinc/00/00/83/624000083.db2.gz AUJRWQRRILPPIE-SMDDNHRTSA-N 1 0 301.390 2.035 10 0 DEAERO C[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc(Cl)s1 ZINC000188359636 624106652 /nfs/dbraw/zinc/10/66/52/624106652.db2.gz JLWWUDDJBPJXJU-ZETCQYMHSA-N 1 0 310.810 2.261 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)OCCCOC)cc2)CC1 ZINC000157887514 624189563 /nfs/dbraw/zinc/18/95/63/624189563.db2.gz 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CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](COC)c1ccccc1 ZINC000727089643 637735226 /nfs/dbraw/zinc/73/52/26/637735226.db2.gz VIIHAFUQHHSUNH-HZPDHXFCSA-N 1 0 321.490 2.323 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=S)N[C@@H]2CCOc3ccccc32)C1 ZINC000741479380 637985415 /nfs/dbraw/zinc/98/54/15/637985415.db2.gz KOKUZJAWMSNGPH-UKRRQHHQSA-N 1 0 319.474 2.316 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ncccn2)[C@@H]1c1cccs1 ZINC000743568494 638158085 /nfs/dbraw/zinc/15/80/85/638158085.db2.gz WCCPCFFUMSEPNS-GXTWGEPZSA-N 1 0 316.430 2.351 10 0 DEAERO Cc1onc(-c2ccc(F)cc2)c1C(=O)N(C)CC[NH+](C)C ZINC000748406790 638552482 /nfs/dbraw/zinc/55/24/82/638552482.db2.gz NJVKTYCOTQBLMC-UHFFFAOYSA-N 1 0 305.353 2.423 10 0 DEAERO CN(C)S(=O)(=O)c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)o1 ZINC000750062472 638708028 /nfs/dbraw/zinc/70/80/28/638708028.db2.gz NDYQGWFEZRREAH-STQMWFEESA-N 1 0 312.435 2.152 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)[C@H]2CSCCS2)CC1 ZINC000750997263 639052227 /nfs/dbraw/zinc/05/22/27/639052227.db2.gz 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DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)C1 ZINC000170864133 648424372 /nfs/dbraw/zinc/42/43/72/648424372.db2.gz CGBNQYCYAYEJKA-LBPRGKRZSA-N 1 0 318.808 2.302 10 0 DEAERO CCC[C@@H](C)C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000182215176 648854456 /nfs/dbraw/zinc/85/44/56/648854456.db2.gz GJWLPKRFJYRQII-LLVKDONJSA-N 1 0 312.426 2.277 10 0 DEAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)C1 ZINC000184137506 649237314 /nfs/dbraw/zinc/23/73/14/649237314.db2.gz HQKQCGQWWQTMBU-KGXGESDWSA-N 1 0 314.838 2.276 10 0 DEAERO COc1ccccc1C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000073186017 649655328 /nfs/dbraw/zinc/65/53/28/649655328.db2.gz KNNDDADSHAAWQF-AWEZNQCLSA-N 1 0 307.390 2.209 10 0 DEAERO C[C@@H]([NH3+])C1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000111612629 652607442 /nfs/dbraw/zinc/60/74/42/652607442.db2.gz LHQXCLLQMHLQGB-SNVBAGLBSA-N 1 0 318.389 2.247 10 0 DEAERO [NH3+][C@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000379667367 685392383 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CC[N@@H+]1CCC[C@H](NC(=O)c2c(Cl)n(C)nc2C(C)C)C1 ZINC000119164610 684077290 /nfs/dbraw/zinc/07/72/90/684077290.db2.gz UECUNJTXXOPQTC-NSHDSACASA-N 1 0 312.845 2.411 10 0 DEAERO CCOc1ccc(CC(=O)OCC[NH+]2CCSCC2)cc1 ZINC000127310743 684162118 /nfs/dbraw/zinc/16/21/18/684162118.db2.gz WUMHKBUDVYKOMW-UHFFFAOYSA-N 1 0 309.431 2.220 10 0 DEAERO CCc1nn(C)c(Cl)c1CN1CC[NH+](CCCF)CC1 ZINC000128875318 684174261 /nfs/dbraw/zinc/17/42/61/684174261.db2.gz DTPPCESDYMHKDQ-UHFFFAOYSA-N 1 0 302.825 2.113 10 0 DEAERO CCNC(=O)c1cc(Cl)ccc1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000129052386 684175751 /nfs/dbraw/zinc/17/57/51/684175751.db2.gz IDCXIGVHHGPWFP-SNVBAGLBSA-N 1 0 309.797 2.028 10 0 DEAERO CCOCc1nc(Cl)cc(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000130016140 684184142 /nfs/dbraw/zinc/18/41/42/684184142.db2.gz LMPMJYLBDRJXMA-GFCCVEGCSA-N 1 0 310.829 2.341 10 0 DEAERO CCc1ccc([C@@H]([NH2+]CC2CN(S(C)(=O)=O)C2)C(C)C)cc1 ZINC000187830007 684343696 /nfs/dbraw/zinc/34/36/96/684343696.db2.gz POWQFXQNGSHFFP-KRWDZBQOSA-N 1 0 324.490 2.427 10 0 DEAERO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(CCO)CC1 ZINC000188053365 684348133 /nfs/dbraw/zinc/34/81/33/684348133.db2.gz GKNMVEYFASGHCI-NSHDSACASA-N 1 0 311.813 2.204 10 0 DEAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1(C)OCCCO1 ZINC000190660554 684410180 /nfs/dbraw/zinc/41/01/80/684410180.db2.gz BBJKSZAHZQPOCJ-CYBMUJFWSA-N 1 0 307.390 2.479 10 0 DEAERO COCCc1nc(C)c([C@@H](C)[NH2+]CC2(C)OCCCO2)s1 ZINC000190662304 684411198 /nfs/dbraw/zinc/41/11/98/684411198.db2.gz ZHTHXLDEWKXYFD-LLVKDONJSA-N 1 0 314.451 2.444 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccnn1C ZINC000193057571 684464237 /nfs/dbraw/zinc/46/42/37/684464237.db2.gz QYOCVJIMVNNFTF-HOCLYGCPSA-N 1 0 312.417 2.262 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1ccc(Cl)s1 ZINC000193111369 685032933 /nfs/dbraw/zinc/03/29/33/685032933.db2.gz ADIPRWNAXPGBBJ-NXEZZACHSA-N 1 0 302.827 2.299 10 0 DEAERO CSc1cc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)ccn1 ZINC000194854246 685079938 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COc1cccc(CN2CCN(C)[C@H](c3nc(C)no3)C2)c1C ZINC000930388756 694152045 /nfs/dbraw/zinc/15/20/45/694152045.db2.gz CQJZRHTVGVGDGJ-HNNXBMFYSA-N 1 0 316.405 2.184 10 0 DEAERO c1c(C2CC2)nnn1[C@H]1CC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000931121533 694320836 /nfs/dbraw/zinc/32/08/36/694320836.db2.gz MPAGLIRZXKTMMU-ZDUSSCGKSA-N 1 0 310.361 2.139 10 0 DEAERO CN1C(=O)C[C@@H](C[NH2+]C2Cc3ccccc3C2)[C@@H]1c1ccncc1 ZINC000886059627 691995138 /nfs/dbraw/zinc/99/51/38/691995138.db2.gz HSSKSWGCQLZOSM-PXNSSMCTSA-N 1 0 321.424 2.358 10 0 DEAERO CC(C)(C)OC(=O)N1CC([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000724006142 777219206 /nfs/dbraw/zinc/21/92/06/777219206.db2.gz CLEFGGZTQIPOTH-HIFRSBDPSA-N 1 0 310.438 2.401 10 0 DEAERO CC(C)N(C)C[C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724040372 777226582 /nfs/dbraw/zinc/22/65/82/777226582.db2.gz HDMKGNIXIHVQQY-ZJUUUORDSA-N 1 0 306.319 2.253 10 0 DEAERO C[C@@](O)(C[N@@H+]1CCC[C@H](CCO)C1)C(F)(F)C(F)(F)F ZINC000724041729 777228601 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Cc1sc(C)c(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c1C ZINC000722570800 778790661 /nfs/dbraw/zinc/79/06/61/778790661.db2.gz NETHNBUKAACSCQ-GFCCVEGCSA-N 1 0 302.465 2.031 10 0 DEAERO Cc1nc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)[nH]c1C ZINC000721866158 780416360 /nfs/dbraw/zinc/41/63/60/780416360.db2.gz NFKNROHLKVOJMA-ZWNOBZJWSA-N 1 0 308.426 2.372 10 0 DEAERO CO[C@]1(C[NH2+][C@H](C)c2ccccc2Cl)CCS(=O)(=O)C1 ZINC000721258965 781018533 /nfs/dbraw/zinc/01/85/33/781018533.db2.gz IXWXVUVCXCVMII-RISCZKNCSA-N 1 0 317.838 2.194 10 0 DEAERO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Br)cc1F ZINC000712314702 784814437 /nfs/dbraw/zinc/81/44/37/784814437.db2.gz NPGULOCTGXVBMI-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO Cn1nccc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721850172 787323309 /nfs/dbraw/zinc/32/33/09/787323309.db2.gz RAPRXARDVSQSQG-ZDUSSCGKSA-N 1 0 308.426 2.155 10 0 DEAERO CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000721861259 787323534 /nfs/dbraw/zinc/32/35/34/787323534.db2.gz 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Cn1cc(C[NH2+][C@@H]2COc3ccccc3C2)c(Br)n1 ZINC000712395585 792185873 /nfs/dbraw/zinc/18/58/73/792185873.db2.gz XDFLTSAUKWYWBX-LBPRGKRZSA-N 1 0 322.206 2.276 10 0 DEAERO Cn1ncc(C[NH2+]CCCNC(=O)OC(C)(C)C)c1Cl ZINC000712400790 792185962 /nfs/dbraw/zinc/18/59/62/792185962.db2.gz DRKBNWIJWKECAN-UHFFFAOYSA-N 1 0 302.806 2.078 10 0 DEAERO C[C@H](C[NH2+]Cc1cn(C)nc1Br)c1ccccn1 ZINC000712432312 792187271 /nfs/dbraw/zinc/18/72/71/792187271.db2.gz ARBFPQALPHDONO-SNVBAGLBSA-N 1 0 309.211 2.471 10 0 DEAERO Cn1cc(CNCC[NH+]2CCCCCC2)c(Br)n1 ZINC000712463049 792190805 /nfs/dbraw/zinc/19/08/05/792190805.db2.gz PPXRQVPGFFYTNI-UHFFFAOYSA-N 1 0 315.259 2.148 10 0 DEAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2csc(Br)c2)C1 ZINC000713286116 792218886 /nfs/dbraw/zinc/21/88/86/792218886.db2.gz QIIOPBZXLWQJFJ-YGOYTEALSA-N 1 0 315.236 2.254 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@@H](CO)C2CCC2)C1 ZINC000714243021 792303908 /nfs/dbraw/zinc/30/39/08/792303908.db2.gz OIHBUUMYUJVDEK-ZFWWWQNUSA-N 1 0 312.454 2.384 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CC[C@@H](O)C(F)F)C1 ZINC000714243121 792304728 /nfs/dbraw/zinc/30/47/28/792304728.db2.gz BNOBZWUEMFNFFW-VXGBXAGGSA-N 1 0 322.396 2.239 10 0 DEAERO CC(C)[C@@H](C(=O)NCc1ncc(Br)s1)[C@H](C)[NH3+] ZINC000714950525 792374408 /nfs/dbraw/zinc/37/44/08/792374408.db2.gz JULAWMCIGCKXSR-OIBJUYFYSA-N 1 0 320.256 2.141 10 0 DEAERO O=C(CC(F)(F)C(F)(F)F)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715045027 792378452 /nfs/dbraw/zinc/37/84/52/792378452.db2.gz LNTRBJZQXMTJTO-BDAKNGLRSA-N 1 0 300.271 2.175 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)C1(F)F ZINC000715203648 792404712 /nfs/dbraw/zinc/40/47/12/792404712.db2.gz RSFCJEYIRGMSJV-MWLCHTKSSA-N 1 0 323.170 2.492 10 0 DEAERO O=C(NC12CC[NH+](CC1)C2)c1cscc1Br ZINC000715509212 792471085 /nfs/dbraw/zinc/47/10/85/792471085.db2.gz SHGAQRJUIAKBSH-UHFFFAOYSA-N 1 0 301.209 2.089 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1cn(C)nn1 ZINC000715858048 792528123 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C[C@@H]1C[C@H]([NH2+]CCC(C)(C)O)CN(C(=O)OC(C)(C)C)C1 ZINC000401715451 801844448 /nfs/dbraw/zinc/84/44/48/801844448.db2.gz HBRHUGGWJGUFRI-OLZOCXBDSA-N 1 0 300.443 2.383 10 0 DEAERO CC(C)[C@@H](CO)[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401728153 801846100 /nfs/dbraw/zinc/84/61/00/801846100.db2.gz MUOAKMVBYOIECH-HZSPNIEDSA-N 1 0 300.443 2.238 10 0 DEAERO CC[C@H]([NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1)[C@@H](C)O ZINC000401873099 801855893 /nfs/dbraw/zinc/85/58/93/801855893.db2.gz LXNWYRSAEXSBMT-DGAVXFQQSA-N 1 0 300.443 2.381 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nccnc1F ZINC000402651885 801899204 /nfs/dbraw/zinc/89/92/04/801899204.db2.gz JXFNHGXIXUGDFU-DZGCQCFKSA-N 1 0 300.381 2.360 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2cncnc2)C12CCC2 ZINC000404634126 802026368 /nfs/dbraw/zinc/02/63/68/802026368.db2.gz HKHSFWOURHNZKR-KBPBESRZSA-N 1 0 318.421 2.402 10 0 DEAERO Cc1cc(NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc[nH+]1 ZINC000185985003 802030221 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ZINC000071266521 1080010554 /nfs/dbraw/zinc/01/05/54/1080010554.db2.gz NDBVQBWZGPTVLN-HTAVTVPLSA-N 1 0 314.223 2.292 10 0 DEAERO c1cc(C[NH2+]CCCOC[C@H]2CCOC2)c2c(c1)OCCCO2 ZINC000077447162 1080473301 /nfs/dbraw/zinc/47/33/01/1080473301.db2.gz ZVERYKYNWYBSEX-OAHLLOKOSA-N 1 0 321.417 2.381 10 0 DEAERO C=CC[NH+]1CCC(NCc2c(Cl)nc(Cl)n2C)CC1 ZINC000084022589 1081453612 /nfs/dbraw/zinc/45/36/12/1081453612.db2.gz KZCCXAHPGJNQIC-UHFFFAOYSA-N 1 0 303.237 2.467 10 0 DEAERO CC(C)(CCS(=O)(=O)N1CCCC[C@@H]1CC[NH3+])C1CC1 ZINC000717984879 1081856081 /nfs/dbraw/zinc/85/60/81/1081856081.db2.gz SYQAPVAUXMYKLR-CQSZACIVSA-N 1 0 302.484 2.346 10 0 DEAERO CC(C)C[C@@H]1[C@@H]2C(=O)N(C)C(=O)[C@H]2C[N@@H+]1Cc1ccccc1 ZINC000409429215 1082279423 /nfs/dbraw/zinc/27/94/23/1082279423.db2.gz ISIJNJHPCLHJAA-ARFHVFGLSA-N 1 0 300.402 2.148 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)C12CCC2 ZINC000720992269 1085281004 /nfs/dbraw/zinc/28/10/04/1085281004.db2.gz LPVWXVYOQAWOFC-RFQIPJPRSA-N 1 0 310.438 2.183 10 0 DEAERO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1Br ZINC000720646707 1085803327 /nfs/dbraw/zinc/80/33/27/1085803327.db2.gz QZKWZFZPKLTJAE-GHMZBOCLSA-N 1 0 302.216 2.230 10 0 DEAERO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2cccs2)C[C@@H]1C(F)(F)F ZINC000720812347 1086152843 /nfs/dbraw/zinc/15/28/43/1086152843.db2.gz UBOMZTFDAGMIAN-ZVECUQNESA-N 1 0 304.337 2.357 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccnc(Br)c1 ZINC000720828903 1086183704 /nfs/dbraw/zinc/18/37/04/1086183704.db2.gz JVDSXZVCWUCPPP-VXGBXAGGSA-N 1 0 324.222 2.153 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1[NH3+] ZINC000720834027 1086189471 /nfs/dbraw/zinc/18/94/71/1086189471.db2.gz IMKIADJJWIILFZ-NSHDSACASA-N 1 0 323.245 2.351 10 0 DEAERO C[C@@H]1CCN(C(=O)/C=C\c2ccc(Br)o2)C[C@@H]1[NH3+] ZINC000700611494 1086321872 /nfs/dbraw/zinc/32/18/72/1086321872.db2.gz YGRAIWUTBVYBHU-PMEPJVLUSA-N 1 0 313.195 2.251 10 0 DEAERO CC1(C)C[NH2+]CCN1C(=O)/C=C/c1ccc(Br)o1 ZINC000700608472 1086322119 /nfs/dbraw/zinc/32/21/19/1086322119.db2.gz IGHGGBQYKSFTNE-GQCTYLIASA-N 1 0 313.195 2.266 10 0 DEAERO Cc1nnsc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000700752405 1086332074 /nfs/dbraw/zinc/33/20/74/1086332074.db2.gz QGZISKSMFXLAAE-MNOVXSKESA-N 1 0 312.439 2.334 10 0 DEAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CCS(=O)(=O)C1CCCCC1 ZINC000701028027 1086348614 /nfs/dbraw/zinc/34/86/14/1086348614.db2.gz VWIRHCTXLJWJFB-COMQUAJESA-N 1 0 303.468 2.135 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@H]1CCN(C3CC3)C1)C2 ZINC000701865151 1086388576 /nfs/dbraw/zinc/38/85/76/1086388576.db2.gz PRJDWEFIIZEILB-FVRSWCFKSA-N 1 0 321.465 2.212 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C[C@@H]1CCCOC1)C2 ZINC000701931199 1086394299 /nfs/dbraw/zinc/39/42/99/1086394299.db2.gz MJKMXWKYFVALLH-CBCUQQMYSA-N 1 0 310.438 2.402 10 0 DEAERO O=C(c1cscc1Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702293807 1086418624 /nfs/dbraw/zinc/41/86/24/1086418624.db2.gz XLSDSSPZZKBLHT-VIFPVBQESA-N 1 0 315.236 2.431 10 0 DEAERO Nc1c(Cl)cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1Cl ZINC000702303312 1086419842 /nfs/dbraw/zinc/41/98/42/1086419842.db2.gz RDWPWUCFAWHMSC-JTQLQIEISA-N 1 0 314.216 2.496 10 0 DEAERO C[C@@H]([NH2+]CC[C@H](C)F)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000702638518 1086449283 /nfs/dbraw/zinc/44/92/83/1086449283.db2.gz MCGRDHCKYGCZOV-YNEHKIRRSA-N 1 0 304.406 2.349 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000703304787 1086494286 /nfs/dbraw/zinc/49/42/86/1086494286.db2.gz JMRTUHXZGXMEAK-RNJOBUHISA-N 1 0 300.399 2.083 10 0 DEAERO Cc1cc(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)ccn1 ZINC000703509178 1086499650 /nfs/dbraw/zinc/49/96/50/1086499650.db2.gz XDFPYWIVVBHESZ-OAHLLOKOSA-N 1 0 321.421 2.116 10 0 DEAERO CC1(CC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)OCCO1 ZINC000715965134 1086618119 /nfs/dbraw/zinc/61/81/19/1086618119.db2.gz FXALZXZOOZWOPL-UHFFFAOYSA-N 1 0 313.781 2.354 10 0 DEAERO CC(C)(O)C(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705608960 1086618935 /nfs/dbraw/zinc/61/89/35/1086618935.db2.gz ICURRJBVCSMLNT-OALUTQOASA-N 1 0 316.445 2.128 10 0 DEAERO COC(CN1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC000705662610 1086622240 /nfs/dbraw/zinc/62/22/40/1086622240.db2.gz LSFDWQATQWEMIA-OALUTQOASA-N 1 0 318.461 2.449 10 0 DEAERO CC[C@H]1C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)CO1 ZINC000705921324 1086626873 /nfs/dbraw/zinc/62/68/73/1086626873.db2.gz DGCMMHRQNKQFFF-KGLIPLIRSA-N 1 0 316.442 2.027 10 0 DEAERO CN(CCOCC[NH2+]C[C@@H]1CCC=CO1)C(=O)OC(C)(C)C ZINC000705902211 1086627783 /nfs/dbraw/zinc/62/77/83/1086627783.db2.gz CNAASIOIWDNGKN-AWEZNQCLSA-N 1 0 314.426 2.152 10 0 DEAERO CC(C)(C)OC(=O)N1CCN(CC[NH2+][C@H]2CCCC23CC3)CC1 ZINC000706560410 1086642280 /nfs/dbraw/zinc/64/22/80/1086642280.db2.gz XHNVDHRJVHTWDT-HNNXBMFYSA-N 1 0 323.481 2.461 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000709533653 1086682996 /nfs/dbraw/zinc/68/29/96/1086682996.db2.gz LYMDSTPPBYKVOG-CYBMUJFWSA-N 1 0 320.524 2.066 10 0 DEAERO Cn1ncc(CN[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000709621425 1086683852 /nfs/dbraw/zinc/68/38/52/1086683852.db2.gz VETBTTCHGWCIOB-QGZVFWFLSA-N 1 0 313.449 2.350 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000710908409 1086690780 /nfs/dbraw/zinc/69/07/80/1086690780.db2.gz WSIJTKMPZXUYCO-QWHCGFSZSA-N 1 0 314.426 2.031 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000710956688 1086691500 /nfs/dbraw/zinc/69/15/00/1086691500.db2.gz CBIOCRWTEWNNTD-XIRDDKMYSA-N 1 0 304.434 2.391 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cnccn3)CCC[C@H]12 ZINC000711627004 1087177423 /nfs/dbraw/zinc/17/74/23/1087177423.db2.gz UHGLASDBAKOPMU-WMLDXEAASA-N 1 0 318.421 2.498 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2csc(Br)c2)C1 ZINC000718425022 1088533040 /nfs/dbraw/zinc/53/30/40/1088533040.db2.gz DJCKJRSUMMCLNY-UHFFFAOYSA-N 1 0 303.225 2.254 10 0 DEAERO CO[C@@]1(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)CCSC1 ZINC000719312496 1088933890 /nfs/dbraw/zinc/93/38/90/1088933890.db2.gz ALVQHVDXFPSFEE-UONOGXRCSA-N 1 0 301.839 2.485 10 0 DEAERO C[C@H]1[C@H](NC(=O)c2cc(Br)ccc2F)CC[N@@H+]1C ZINC000719388442 1089071073 /nfs/dbraw/zinc/07/10/73/1089071073.db2.gz QGTQGMDXEAHDMH-QPUJVOFHSA-N 1 0 315.186 2.411 10 0 DEAERO C[C@@H]1[C@H](NC(=O)c2cc(Cl)c(N)c(Cl)c2)CC[N@@H+]1C ZINC000719391754 1089081347 /nfs/dbraw/zinc/08/13/47/1089081347.db2.gz IRFRERKUNJPENT-RDDDGLTNSA-N 1 0 302.205 2.398 10 0 DEAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000719581263 1089312506 /nfs/dbraw/zinc/31/25/06/1089312506.db2.gz KKHXXIMEBSLHHE-QLFBSQMISA-N 1 0 313.486 2.466 10 0 DEAERO COC(C)(C)[C@H](C)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000720236725 1089535835 /nfs/dbraw/zinc/53/58/35/1089535835.db2.gz URJKHTHCXBQTQY-RYUDHWBXSA-N 1 0 301.814 2.483 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)CN1C1CC1 ZINC000720248386 1089539184 /nfs/dbraw/zinc/53/91/84/1089539184.db2.gz GFJBMXSBNKMOIY-RKDXNWHRSA-N 1 0 302.287 2.373 10 0 DEAERO O=C(NCc1ccccc1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720446919 1089940498 /nfs/dbraw/zinc/94/04/98/1089940498.db2.gz HJHNSGPHKIYFQS-HUUCEWRRSA-N 1 0 305.447 2.066 10 0 DEAERO Cc1nc2ccccc2nc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000174684936 282089462 /nfs/dbraw/zinc/08/94/62/282089462.db2.gz DMMJVEMJVXBSQL-AWEZNQCLSA-N 1 0 300.406 2.197 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000137316249 282095573 /nfs/dbraw/zinc/09/55/73/282095573.db2.gz BONUOQDHDGUFDR-LBPRGKRZSA-N 1 0 306.454 2.466 10 0 DEAERO CCCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000139539169 282101733 /nfs/dbraw/zinc/10/17/33/282101733.db2.gz PIVDRYBVUZHTJG-HNNXBMFYSA-N 1 0 305.422 2.369 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(F)cc(Cl)c2)CCO1 ZINC000181239740 199269926 /nfs/dbraw/zinc/26/99/26/199269926.db2.gz HXLABUAENSYFNY-CYBMUJFWSA-N 1 0 315.776 2.273 10 0 DEAERO C[NH2+][C@@H](CSCCC(=O)OC)c1ccc(OC)cc1OC ZINC000081789044 192324194 /nfs/dbraw/zinc/32/41/94/192324194.db2.gz BJIJDMZSIQPXCQ-ZDUSSCGKSA-N 1 0 313.419 2.261 10 0 DEAERO C[NH2+][C@H](CSCCC(=O)OC)c1ccc(OC)cc1OC ZINC000081789047 192324900 /nfs/dbraw/zinc/32/49/00/192324900.db2.gz BJIJDMZSIQPXCQ-CYBMUJFWSA-N 1 0 313.419 2.261 10 0 DEAERO CCC[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000150887618 282107145 /nfs/dbraw/zinc/10/71/45/282107145.db2.gz ILXSAYIESJIPJD-JKSUJKDBSA-N 1 0 311.470 2.319 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(OC)c(CSc2nnnn2C)c1 ZINC000081844818 192331902 /nfs/dbraw/zinc/33/19/02/192331902.db2.gz NETBIRHWIPRFBF-SNVBAGLBSA-N 1 0 307.423 2.182 10 0 DEAERO C[NH2+][C@@H](CSc1nnnn1C)C12CC3CC(CC(C3)C1)C2 ZINC000081845565 192332105 /nfs/dbraw/zinc/33/21/05/192332105.db2.gz IUSCVIJZQSPJLA-MFORYBBRSA-N 1 0 307.467 2.107 10 0 DEAERO CCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1Sc1nncn1C ZINC000081866885 192332480 /nfs/dbraw/zinc/33/24/80/192332480.db2.gz PVFZBLKJYUOFKE-UONOGXRCSA-N 1 0 304.419 2.409 10 0 DEAERO COc1ccc([C@@H]([NH3+])CSc2ncnc3[nH]cnc32)cc1 ZINC000081876582 192333162 /nfs/dbraw/zinc/33/31/62/192333162.db2.gz ANDMIFFBTLRIQG-NSHDSACASA-N 1 0 301.375 2.154 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1Sc1nc(CCC)cc(=O)[nH]1 ZINC000081864677 192333204 /nfs/dbraw/zinc/33/32/04/192333204.db2.gz GAXCOUYZNHXMOG-OLZOCXBDSA-N 1 0 311.451 2.384 10 0 DEAERO CC[C@@H](Sc1n[nH]c(=O)n1CC)[C@@H]([NH2+]C)c1ccccc1 ZINC000081879680 192333903 /nfs/dbraw/zinc/33/39/03/192333903.db2.gz UFANOSICPOHVRG-OLZOCXBDSA-N 1 0 306.435 2.423 10 0 DEAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)Sc1n[nH]c(=O)n1C ZINC000081880479 192334136 /nfs/dbraw/zinc/33/41/36/192334136.db2.gz MZECDFNZHLATOA-YPMHNXCESA-N 1 0 306.435 2.248 10 0 DEAERO O=c1[nH]ccc2c(Br)cn(C[C@@H]3CCCC[NH2+]3)c21 ZINC000162636736 197580959 /nfs/dbraw/zinc/58/09/59/197580959.db2.gz ARFQEZODXWAVES-VIFPVBQESA-N 1 0 310.195 2.234 10 0 DEAERO [NH3+]CCc1ccc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)s1 ZINC000162849950 197596682 /nfs/dbraw/zinc/59/66/82/197596682.db2.gz IWOBLRKOBVQCBP-AAEUAGOBSA-N 1 0 314.476 2.203 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000162886432 197598231 /nfs/dbraw/zinc/59/82/31/197598231.db2.gz ZJHDKDKZNGXAJT-BFHYXJOUSA-N 1 0 308.447 2.305 10 0 DEAERO CCC[NH2+]Cc1cc(Cl)ccc1N(C)CCS(C)(=O)=O ZINC000162886880 197598745 /nfs/dbraw/zinc/59/87/45/197598745.db2.gz RBZSTKFYHXZKKC-UHFFFAOYSA-N 1 0 318.870 2.320 10 0 DEAERO C[NH2+][C@H]1CCC[C@@H]1S(=O)(=O)c1ccc(Br)cc1 ZINC000081933392 192341173 /nfs/dbraw/zinc/34/11/73/192341173.db2.gz CERPDEJWLOIVLO-RYUDHWBXSA-N 1 0 318.236 2.363 10 0 DEAERO CCOC(=O)[C@@](C)(NCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000078901561 185126374 /nfs/dbraw/zinc/12/63/74/185126374.db2.gz ZFLNSDCOUGSNJD-HNNXBMFYSA-N 1 0 316.804 2.409 10 0 DEAERO CCC[C@H]([NH3+])[C@H](CC)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935479 192343330 /nfs/dbraw/zinc/34/33/30/192343330.db2.gz ZAZNDKOFLTVCRH-WFASDCNBSA-N 1 0 313.419 2.138 10 0 DEAERO CC[C@H]([NH2+]C)[C@@H](C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936065 192343490 /nfs/dbraw/zinc/34/34/90/192343490.db2.gz CTNATFLGWRTPKR-YPMHNXCESA-N 1 0 313.419 2.008 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000152424668 282144477 /nfs/dbraw/zinc/14/44/77/282144477.db2.gz DGBKUCGZXZQERV-IAGOWNOFSA-N 1 0 324.513 2.090 10 0 DEAERO C[C@@H](CC[NH3+])CCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000079118486 185159400 /nfs/dbraw/zinc/15/94/00/185159400.db2.gz KLKMJXFPYRIGKV-KFWWJZLASA-N 1 0 314.495 2.265 10 0 DEAERO Cc1scnc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000082337436 185176284 /nfs/dbraw/zinc/17/62/84/185176284.db2.gz FTVTXYUHZPUGIR-UHFFFAOYSA-N 1 0 316.430 2.456 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)cc1 ZINC000164967899 197667961 /nfs/dbraw/zinc/66/79/61/197667961.db2.gz HDTFRYVWHAWTIQ-YOEHRIQHSA-N 1 0 320.433 2.229 10 0 DEAERO [NH3+][C@H]1CC[C@@H](S(=O)(=O)c2cccc(Br)c2)C1 ZINC000082820123 185208411 /nfs/dbraw/zinc/20/84/11/185208411.db2.gz LKTXRUPIHSFZCZ-GXSJLCMTSA-N 1 0 304.209 2.103 10 0 DEAERO C[C@]([NH3+])(CO)CCCSc1ccc(Br)cn1 ZINC000082905407 185209521 /nfs/dbraw/zinc/20/95/21/185209521.db2.gz VAZXAZMSGQFIDA-LLVKDONJSA-N 1 0 305.241 2.426 10 0 DEAERO C[NH2+][C@@H](c1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 ZINC000082998704 185210702 /nfs/dbraw/zinc/21/07/02/185210702.db2.gz UUDBVQDGSACLHK-OIBJUYFYSA-N 1 0 324.265 2.206 10 0 DEAERO CCn1nccc1CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328644077 231281395 /nfs/dbraw/zinc/28/13/95/231281395.db2.gz RQCQTRSGOIYQQT-WMZOPIPTSA-N 1 0 313.449 2.423 10 0 DEAERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)cn1 ZINC000328654203 231289415 /nfs/dbraw/zinc/28/94/15/231289415.db2.gz XHTZEADSHWYIIH-WMLDXEAASA-N 1 0 300.406 2.474 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1cc(Br)cn1C1CC1)C1CC1 ZINC000087383793 185223111 /nfs/dbraw/zinc/22/31/11/185223111.db2.gz NHFYGHCOTVHXMY-LLVKDONJSA-N 1 0 312.211 2.053 10 0 DEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000087403994 185223825 /nfs/dbraw/zinc/22/38/25/185223825.db2.gz JZBATTHSOMKNLP-QMMMGPOBSA-N 1 0 311.234 2.399 10 0 DEAERO COc1ccc(C[C@H]([NH3+])c2cnn(C)c2)cc1Br ZINC000087422994 185224233 /nfs/dbraw/zinc/22/42/33/185224233.db2.gz XKRGBLSAVDFVIU-LBPRGKRZSA-N 1 0 310.195 2.434 10 0 DEAERO Cn1cc([C@@H](C[NH3+])Oc2ccc(Br)c(F)c2)cn1 ZINC000087430491 185224463 /nfs/dbraw/zinc/22/44/63/185224463.db2.gz CTVATAIWIHWOKD-GFCCVEGCSA-N 1 0 314.158 2.401 10 0 DEAERO CC(C)c1nnsc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000087442768 185225127 /nfs/dbraw/zinc/22/51/27/185225127.db2.gz IDBCISBNNPZUCJ-NWDGAFQWSA-N 1 0 308.451 2.266 10 0 DEAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000087516484 185227535 /nfs/dbraw/zinc/22/75/35/185227535.db2.gz GHYKWXWDADUWKR-LLVKDONJSA-N 1 0 311.813 2.211 10 0 DEAERO CC(C)[C@@H]([NH3+])CS(=O)(=O)c1cccc(Br)c1 ZINC000087540076 185228279 /nfs/dbraw/zinc/22/82/79/185228279.db2.gz ZFPYMJVANOVOHS-NSHDSACASA-N 1 0 306.225 2.206 10 0 DEAERO CC(=O)c1csc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)n1 ZINC000087619950 185229305 /nfs/dbraw/zinc/22/93/05/185229305.db2.gz VJYHNHPKVRFMPX-LBPRGKRZSA-N 1 0 301.371 2.171 10 0 DEAERO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627493 185229520 /nfs/dbraw/zinc/22/95/20/185229520.db2.gz IUFCMNIUQVVQPZ-UHFFFAOYSA-N 1 0 312.435 2.101 10 0 DEAERO CC1(C)CC(=O)N(c2ccc(C[NH3+])cc2C(F)(F)F)C1=O ZINC000087720588 185230941 /nfs/dbraw/zinc/23/09/41/185230941.db2.gz ZTSAFWPXCJOERC-UHFFFAOYSA-N 1 0 300.280 2.454 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)ccc1F ZINC000087768771 185231394 /nfs/dbraw/zinc/23/13/94/185231394.db2.gz SGNXZYZPWCPHBS-ABAIWWIYSA-N 1 0 312.410 2.238 10 0 DEAERO NNc1nc(OCc2cccs2)c(Br)c[nH+]1 ZINC000087885961 185234483 /nfs/dbraw/zinc/23/44/83/185234483.db2.gz XGORNAMCLIKPSB-UHFFFAOYSA-N 1 0 301.169 2.165 10 0 DEAERO C[C@H](C[NH3+])C[S@@](=O)Cc1ccc(F)c(Br)c1 ZINC000088089982 185239524 /nfs/dbraw/zinc/23/95/24/185239524.db2.gz ZYATWQLYIJNOSZ-BCTVWOGZSA-N 1 0 308.216 2.432 10 0 DEAERO CC[NH2+]C[C@H]1CC[C@H]1n1cc(I)cn1 ZINC000087923946 185237734 /nfs/dbraw/zinc/23/77/34/185237734.db2.gz HRJBEUYGZPIDBL-PSASIEDQSA-N 1 0 305.163 2.048 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)[C@H]1CCOc2ccccc21 ZINC000088019820 185237816 /nfs/dbraw/zinc/23/78/16/185237816.db2.gz LTUHVFWMQDURSQ-ZFWWWQNUSA-N 1 0 311.447 2.356 10 0 DEAERO COc1ccc(Br)c(C[S@@](=O)[C@@H](C)C[NH3+])c1 ZINC000088067993 185238563 /nfs/dbraw/zinc/23/85/63/185238563.db2.gz BNGRJNDYQQMLHU-PWJLMRLQSA-N 1 0 306.225 2.054 10 0 DEAERO COc1ccc(Br)c(Cn2cc(C[NH3+])c(C)n2)c1 ZINC000087799457 185232682 /nfs/dbraw/zinc/23/26/82/185232682.db2.gz OPWJOGATTZVOQP-UHFFFAOYSA-N 1 0 310.195 2.470 10 0 DEAERO CN(Cc1cccc(Br)c1)c1cc[nH+]c(NN)n1 ZINC000087864156 185233866 /nfs/dbraw/zinc/23/38/66/185233866.db2.gz RKTAFUTVMDHPDA-UHFFFAOYSA-N 1 0 308.183 2.161 10 0 DEAERO Cc1nc(NCc2cccc(Br)c2)cc(NN)[nH+]1 ZINC000087864104 185233959 /nfs/dbraw/zinc/23/39/59/185233959.db2.gz GTQNIAWGDUPBSF-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO CC[NH2+][C@@H]1CCCc2c(OCCS(=O)(=O)CC)cccc21 ZINC000088151906 185240634 /nfs/dbraw/zinc/24/06/34/185240634.db2.gz KZYUKJJILBEEEO-OAHLLOKOSA-N 1 0 311.447 2.487 10 0 DEAERO CCN(CC)c1nc(Cl)nc(OC[C@H]2CCCC[N@@H+]2C)n1 ZINC000088165594 185240831 /nfs/dbraw/zinc/24/08/31/185240831.db2.gz QLEBNKZXFMTAAI-LLVKDONJSA-N 1 0 313.833 2.234 10 0 DEAERO O=C(Nc1c(F)cc(Br)cc1F)[C@H]1CCC[NH2+]1 ZINC000088168585 185240859 /nfs/dbraw/zinc/24/08/59/185240859.db2.gz GQAYIPGGSKMUFR-SECBINFHSA-N 1 0 305.122 2.418 10 0 DEAERO Cc1ccnc(Cl)c1NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000088190624 185241279 /nfs/dbraw/zinc/24/12/79/185241279.db2.gz WLIVQURIXGNSNS-UHFFFAOYSA-N 1 0 310.829 2.008 10 0 DEAERO CN(CCc1ccccc1)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000088204047 185241953 /nfs/dbraw/zinc/24/19/53/185241953.db2.gz BUSQYVGXBDTVQM-INIZCTEOSA-N 1 0 310.463 2.023 10 0 DEAERO CCc1ccsc1C[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000088290434 185244990 /nfs/dbraw/zinc/24/49/90/185244990.db2.gz DOPVCOXSXSUMMO-UHFFFAOYSA-N 1 0 304.415 2.464 10 0 DEAERO CCOC(=O)[C@](C)(N)C[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088435076 185250058 /nfs/dbraw/zinc/25/00/58/185250058.db2.gz DSQSXZXKTGTEEA-GMXVVIOVSA-N 1 0 310.360 2.320 10 0 DEAERO CCOC(=O)[C@@](C)(N)C[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000088435422 185250360 /nfs/dbraw/zinc/25/03/60/185250360.db2.gz PZGGVLMNQIUUBC-MFKMUULPSA-N 1 0 310.360 2.320 10 0 DEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)Nc1cnc(Br)cn1 ZINC000088446426 185251273 /nfs/dbraw/zinc/25/12/73/185251273.db2.gz FFPWGGJFCDVOHH-RKDXNWHRSA-N 1 0 315.215 2.331 10 0 DEAERO CSC[C@@H](C)CNS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088551154 185257493 /nfs/dbraw/zinc/25/74/93/185257493.db2.gz NJASQZFPCJTXFU-NSHDSACASA-N 1 0 320.480 2.055 10 0 DEAERO C[C@H](NS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1)C1CC1 ZINC000088542323 185256210 /nfs/dbraw/zinc/25/62/10/185256210.db2.gz HMBAXQOZQVXUQZ-JTQLQIEISA-N 1 0 300.424 2.245 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC2CCCCCCC2)o1 ZINC000088542020 185256348 /nfs/dbraw/zinc/25/63/48/185256348.db2.gz PLEFZRRFAQEAJE-UHFFFAOYSA-N 1 0 300.424 2.390 10 0 DEAERO CC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)S(=O)(=O)CCCOC ZINC000081986149 192348826 /nfs/dbraw/zinc/34/88/26/192348826.db2.gz NKAXFHLFHCLJNL-GDBMZVCRSA-N 1 0 313.463 2.485 10 0 DEAERO Cc1ccccc1S(=O)(=O)N[C@@H](C)c1ccc(C[NH3+])cc1 ZINC000088714825 185262859 /nfs/dbraw/zinc/26/28/59/185262859.db2.gz INDRUJWOKGXBFA-ZDUSSCGKSA-N 1 0 304.415 2.493 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC3(CCCC3)CC2)o1 ZINC000088550731 185257608 /nfs/dbraw/zinc/25/76/08/185257608.db2.gz BJRVEXZYDPGIJL-UHFFFAOYSA-N 1 0 312.435 2.344 10 0 DEAERO CCn1ncnc1C[C@H]([NH3+])Cc1ccccc1Br ZINC000088611943 185260112 /nfs/dbraw/zinc/26/01/12/185260112.db2.gz FMGUORDDFJFBTL-LLVKDONJSA-N 1 0 309.211 2.173 10 0 DEAERO CC(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C(N)=S ZINC000088836966 185266888 /nfs/dbraw/zinc/26/68/88/185266888.db2.gz XHOPBKGEULXBPC-CQSZACIVSA-N 1 0 305.447 2.380 10 0 DEAERO CS(=O)(=O)c1ccc(-c2csc(CCCC[NH3+])n2)cc1 ZINC000088870565 185267440 /nfs/dbraw/zinc/26/74/40/185267440.db2.gz KMLRAVFLUIIBNG-UHFFFAOYSA-N 1 0 310.444 2.495 10 0 DEAERO [NH3+][C@H](CS(=O)(=O)C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000081978826 192349254 /nfs/dbraw/zinc/34/92/54/192349254.db2.gz HQMDHIVDSUYEMK-CYBMUJFWSA-N 1 0 311.403 2.163 10 0 DEAERO Cc1ccccc1S(=O)(=O)N[C@H](C(N)=[NH2+])C1CCCCC1 ZINC000088716965 185263010 /nfs/dbraw/zinc/26/30/10/185263010.db2.gz IJZWWDOZAMPRTC-AWEZNQCLSA-N 1 0 309.435 2.158 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)CCCOC)c1ccc(C)cc1 ZINC000081985823 192349488 /nfs/dbraw/zinc/34/94/88/192349488.db2.gz NRHLTUZWJSWXQC-MRXNPFEDSA-N 1 0 313.463 2.487 10 0 DEAERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C[C@H]1CCCCC(=O)N1 ZINC000329406835 231522892 /nfs/dbraw/zinc/52/28/92/231522892.db2.gz XJJUWFSFZJWBKQ-RBSFLKMASA-N 1 0 307.438 2.361 10 0 DEAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081990492 192351018 /nfs/dbraw/zinc/35/10/18/192351018.db2.gz NTUIZPBNIKXCAM-KBMXLJTQSA-N 1 0 317.495 2.383 10 0 DEAERO CN1C(=O)CC[C@@H]([NH2+]Cc2[nH]c3ccccc3c2Cl)C1=O ZINC000090027315 185278976 /nfs/dbraw/zinc/27/89/76/185278976.db2.gz JNUZUROPZVOSEG-LLVKDONJSA-N 1 0 305.765 2.058 10 0 DEAERO CC[C@@H]([NH2+]C[C@@](C)(O)CO)c1ccc(Br)cc1 ZINC000090284257 185289457 /nfs/dbraw/zinc/28/94/57/185289457.db2.gz YARJWJNPZNEAKJ-CHWSQXEVSA-N 1 0 302.212 2.233 10 0 DEAERO C[C@@H](c1ccccc1Br)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306491 185290186 /nfs/dbraw/zinc/29/01/86/185290186.db2.gz RYVMXVROZQNIDT-LBPRGKRZSA-N 1 0 324.266 2.100 10 0 DEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000090311223 185290467 /nfs/dbraw/zinc/29/04/67/185290467.db2.gz GIANQPXBHBLRHD-TUAOUCFPSA-N 1 0 303.189 2.228 10 0 DEAERO [NH3+][C@H]1CCC2(C[C@H]1[S@](=O)c1cccc(Cl)c1)OCCO2 ZINC000081993767 192352569 /nfs/dbraw/zinc/35/25/69/192352569.db2.gz ILOATSWIQUSXGH-RDXCRGQUSA-N 1 0 315.822 2.071 10 0 DEAERO C[C@H](CC[NH3+])SCC(=O)Nc1ccc(Br)cn1 ZINC000090354589 185292398 /nfs/dbraw/zinc/29/23/98/185292398.db2.gz QXCGRVGQXICOIY-MRVPVSSYSA-N 1 0 318.240 2.253 10 0 DEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000090487828 185298780 /nfs/dbraw/zinc/29/87/80/185298780.db2.gz ZLFSSUYBTKJERQ-NEPJUHHUSA-N 1 0 313.195 2.012 10 0 DEAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1ccccc1SCC(F)(F)F ZINC000090380236 185293558 /nfs/dbraw/zinc/29/35/58/185293558.db2.gz KGWLQTZXUIXIEL-BDAKNGLRSA-N 1 0 320.336 2.253 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1c1nc(Cc2c(F)cccc2Cl)no1 ZINC000090423960 185295524 /nfs/dbraw/zinc/29/55/24/185295524.db2.gz PLTGEBPKYZERTP-JOYOIKCWSA-N 1 0 311.744 2.155 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000090432892 185296253 /nfs/dbraw/zinc/29/62/53/185296253.db2.gz XOEDFDGKEVFALQ-PSASIEDQSA-N 1 0 320.336 2.471 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000090436989 185296267 /nfs/dbraw/zinc/29/62/67/185296267.db2.gz LWNHPBYDXFAOQU-PWSUYJOCSA-N 1 0 302.296 2.187 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000090436992 185296307 /nfs/dbraw/zinc/29/63/07/185296307.db2.gz LWNHPBYDXFAOQU-CMPLNLGQSA-N 1 0 302.296 2.187 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1CN(C)Cc1cc(Br)cs1 ZINC000090438882 185296676 /nfs/dbraw/zinc/29/66/76/185296676.db2.gz JNAJQKVHBJYAEQ-SKDRFNHKSA-N 1 0 319.268 2.177 10 0 DEAERO COc1ccc(C[NH3+])cc1C[S@@](=O)c1ccccc1OC ZINC000081999826 192353835 /nfs/dbraw/zinc/35/38/35/192353835.db2.gz VYBKWFYXMOTQGS-NRFANRHFSA-N 1 0 305.399 2.470 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090580357 185304966 /nfs/dbraw/zinc/30/49/66/185304966.db2.gz SUWDLYOSKDVZDN-AAEUAGOBSA-N 1 0 313.195 2.060 10 0 DEAERO Cc1ccc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])cc1C(F)(F)F ZINC000090601191 185306198 /nfs/dbraw/zinc/30/61/98/185306198.db2.gz IKOCEQNUWKHGEL-WCQYABFASA-N 1 0 302.296 2.316 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(F)c(F)c1F ZINC000090538605 185301646 /nfs/dbraw/zinc/30/16/46/185301646.db2.gz JHXSYTJGBXASJF-KCJUWKMLSA-N 1 0 302.296 2.057 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000090541755 185301931 /nfs/dbraw/zinc/30/19/31/185301931.db2.gz CEMIICRNFBJHNB-LSDHHAIUSA-N 1 0 310.825 2.313 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000090544749 185302047 /nfs/dbraw/zinc/30/20/47/185302047.db2.gz UCEPQBFMDOKYBT-SMDDNHRTSA-N 1 0 314.788 2.110 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(F)c(F)cc1F ZINC000090544838 185302053 /nfs/dbraw/zinc/30/20/53/185302053.db2.gz COLSQPYFAOHXDV-ISVAXAHUSA-N 1 0 302.296 2.057 10 0 DEAERO C[C@H]([NH3+])Cc1cncc(Oc2ccc(S(C)(=O)=O)cc2)c1 ZINC000166661306 197695761 /nfs/dbraw/zinc/69/57/61/197695761.db2.gz QALCYZDRJOVLDL-NSHDSACASA-N 1 0 306.387 2.167 10 0 DEAERO CCn1c2ccc(Br)cc2nc1[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090571761 185304474 /nfs/dbraw/zinc/30/44/74/185304474.db2.gz SXEJPMZIKOSAKY-JSGCOSHPSA-N 1 0 324.222 2.434 10 0 DEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1S(=O)(=O)CC(C)C ZINC000092388613 185315375 /nfs/dbraw/zinc/31/53/75/185315375.db2.gz YWXNHLOMXNZKSS-HOTGVXAUSA-N 1 0 311.447 2.341 10 0 DEAERO C[C@H](CC[NH3+])S(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000167004918 197702437 /nfs/dbraw/zinc/70/24/37/197702437.db2.gz XOPMIJYRPCAAEW-MRVPVSSYSA-N 1 0 324.215 2.240 10 0 DEAERO CC(C)[C@H](CO)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000092392223 185315665 /nfs/dbraw/zinc/31/56/65/185315665.db2.gz RNVJCNCNGMNOQM-NSHDSACASA-N 1 0 316.195 2.284 10 0 DEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1Sc1nnc(C)[nH]1 ZINC000092390064 185315698 /nfs/dbraw/zinc/31/56/98/185315698.db2.gz PZHACAURYLESRT-KBPBESRZSA-N 1 0 304.419 2.489 10 0 DEAERO C[C@H](C[NH3+])C[S@](=O)CCOc1ccc(Br)cc1 ZINC000167293275 197706319 /nfs/dbraw/zinc/70/63/19/197706319.db2.gz DTGHFOONGWUHIH-QGHHPUGFSA-N 1 0 320.252 2.171 10 0 DEAERO C[N@@H+]1CCC[C@@H](Cn2c(N)nc3cc(Br)cnc32)C1 ZINC000092575653 185326723 /nfs/dbraw/zinc/32/67/23/185326723.db2.gz REQXFZOQAYEGES-SECBINFHSA-N 1 0 324.226 2.118 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000189052099 529701193 /nfs/dbraw/zinc/70/11/93/529701193.db2.gz IORAAEBKDUBUFJ-AWEZNQCLSA-N 1 0 300.805 2.368 10 0 DEAERO CN(C[C@H]1CCC[N@@H+]1C)c1nc(Cl)ncc1Br ZINC000092664992 185332683 /nfs/dbraw/zinc/33/26/83/185332683.db2.gz CIEGGXOJOTYFOQ-MRVPVSSYSA-N 1 0 319.634 2.423 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Cl)nc(NC)c1 ZINC000092674424 185333169 /nfs/dbraw/zinc/33/31/69/185333169.db2.gz KKTRYBWJVZYLNH-LBPRGKRZSA-N 1 0 310.829 2.333 10 0 DEAERO Cn1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(-c2ccncc2)n1 ZINC000092616204 185329099 /nfs/dbraw/zinc/32/90/99/185329099.db2.gz BUMGPZPLJMNECU-QGZVFWFLSA-N 1 0 311.433 2.152 10 0 DEAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1cccs1 ZINC000184316208 282252096 /nfs/dbraw/zinc/25/20/96/282252096.db2.gz FVPNGBJXTPBGDJ-AWEZNQCLSA-N 1 0 323.506 2.168 10 0 DEAERO COCC[NH2+]Cc1cc2ccccc2nc1SC1COC1 ZINC000092712424 185335723 /nfs/dbraw/zinc/33/57/23/185335723.db2.gz RNPPCMWTHBPRGK-UHFFFAOYSA-N 1 0 304.415 2.462 10 0 DEAERO CN(C[C@@H]1CCC[N@@H+]1C)c1cc2c(cc1Cl)C(=O)C(=O)N2 ZINC000092772789 185339750 /nfs/dbraw/zinc/33/97/50/185339750.db2.gz JOIVLQIQBGPFFD-VIFPVBQESA-N 1 0 307.781 2.005 10 0 DEAERO CC(C)[N@H+](Cc1cc(-c2cnn(C)c2)no1)C1CCOCC1 ZINC000185036031 282258907 /nfs/dbraw/zinc/25/89/07/282258907.db2.gz RZPLZMXJKITVFP-UHFFFAOYSA-N 1 0 304.394 2.465 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCOc3cccc(Cl)c3)C[C@@H]12 ZINC000185068875 282259470 /nfs/dbraw/zinc/25/94/70/282259470.db2.gz AYIKCBLBOUYSNL-NILFDRSVSA-N 1 0 308.809 2.305 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cnc3ccccn23)C12CCOCC2 ZINC000185663335 282264278 /nfs/dbraw/zinc/26/42/78/282264278.db2.gz NKCGHIYWHBMHIR-JKSUJKDBSA-N 1 0 315.417 2.398 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](S(=O)(=O)c1ccccc1)C2 ZINC000092859107 185346843 /nfs/dbraw/zinc/34/68/43/185346843.db2.gz UEXANDPBEIDJCQ-CVEARBPZSA-N 1 0 303.383 2.094 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000105895053 282265094 /nfs/dbraw/zinc/26/50/94/282265094.db2.gz DUQUFBMLEJZOEA-HNNXBMFYSA-N 1 0 304.438 2.186 10 0 DEAERO [NH3+][C@H]1CCO[C@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000092888639 185348126 /nfs/dbraw/zinc/34/81/26/185348126.db2.gz PQMZITTVMHHPBR-ONGXEEELSA-N 1 0 300.152 2.009 10 0 DEAERO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000181406342 199291573 /nfs/dbraw/zinc/29/15/73/199291573.db2.gz BPABCLFDQSBSEG-ZIAGYGMSSA-N 1 0 320.433 2.213 10 0 DEAERO COc1ccc(Br)cc1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000092956236 185350270 /nfs/dbraw/zinc/35/02/70/185350270.db2.gz XLEAIDXHMWTKSW-WPRPVWTQSA-N 1 0 313.195 2.394 10 0 DEAERO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000181494970 199306429 /nfs/dbraw/zinc/30/64/29/199306429.db2.gz PFGULCOGDLCTDE-STQMWFEESA-N 1 0 314.385 2.168 10 0 DEAERO O=C(CC[NH2+]C1CC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000037822496 539336024 /nfs/dbraw/zinc/33/60/24/539336024.db2.gz GMUHBGDJAZPKOA-OAHLLOKOSA-N 1 0 308.809 2.382 10 0 DEAERO O=C(Cc1cccc(Cl)c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000169004081 197732259 /nfs/dbraw/zinc/73/22/59/197732259.db2.gz QUQCUWQAWXYBRX-UHFFFAOYSA-N 1 0 304.781 2.281 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC[C@H]1C ZINC000187677817 282288729 /nfs/dbraw/zinc/28/87/29/282288729.db2.gz XPIRCFWGWBKALK-BZUAXINKSA-N 1 0 311.470 2.173 10 0 DEAERO CCCNC(=O)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256208 539344564 /nfs/dbraw/zinc/34/45/64/539344564.db2.gz GMUNUKBPUXVCEJ-QGZVFWFLSA-N 1 0 324.428 2.372 10 0 DEAERO Clc1cc(Br)ccc1OC[C@@H]1C[NH2+]CCO1 ZINC000070834125 539345363 /nfs/dbraw/zinc/34/53/63/539345363.db2.gz XTCNDLPNAOWWQE-VIFPVBQESA-N 1 0 306.587 2.470 10 0 DEAERO C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000020546026 190646500 /nfs/dbraw/zinc/64/65/00/190646500.db2.gz CQJWEYDYVYCYAD-LBPRGKRZSA-N 1 0 302.399 2.285 10 0 DEAERO CN1C[C@H]([NH2+]Cc2cccc(Br)c2F)CCC1=O ZINC000294927624 529829608 /nfs/dbraw/zinc/82/96/08/529829608.db2.gz BACBQSSTVSBDLO-SNVBAGLBSA-N 1 0 315.186 2.299 10 0 DEAERO COC(=O)CC1(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CCCC1 ZINC000189447110 282310393 /nfs/dbraw/zinc/31/03/93/282310393.db2.gz RHYDQEIRACNJSH-CABCVRRESA-N 1 0 324.465 2.345 10 0 DEAERO CN(C)c1ccncc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000183691324 282306879 /nfs/dbraw/zinc/30/68/79/282306879.db2.gz RFAWQAJUUOHTEX-UHFFFAOYSA-N 1 0 316.449 2.238 10 0 DEAERO CCOc1c(Cl)cccc1CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000191715365 282334603 /nfs/dbraw/zinc/33/46/03/282334603.db2.gz DRRRBWSMMHTFNQ-ZDUSSCGKSA-N 1 0 310.825 2.492 10 0 DEAERO Cc1ccc([C@@H](C[NH2+]Cc2cocn2)N2CCOCC2)cc1 ZINC000192289231 282341299 /nfs/dbraw/zinc/34/12/99/282341299.db2.gz YNULCZLYEPFPCF-QGZVFWFLSA-N 1 0 301.390 2.146 10 0 DEAERO C[C@H](O)CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000085990420 539403237 /nfs/dbraw/zinc/40/32/37/539403237.db2.gz QDHVGDKGTDLCQY-VHSXEESVSA-N 1 0 308.205 2.094 10 0 DEAERO c1n[nH]cc1CN1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000625475246 365802009 /nfs/dbraw/zinc/80/20/09/365802009.db2.gz ZKBPHCNBQUTYAL-MRXNPFEDSA-N 1 0 310.445 2.332 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1 ZINC000089449858 539411329 /nfs/dbraw/zinc/41/13/29/539411329.db2.gz VGGKNDVOXMHVQE-AAEUAGOBSA-N 1 0 311.223 2.440 10 0 DEAERO CN1C(=O)CC[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1=O ZINC000090024711 539415198 /nfs/dbraw/zinc/41/51/98/539415198.db2.gz NSYPVVIPBILBEA-NWDGAFQWSA-N 1 0 308.378 2.100 10 0 DEAERO CCN(CCNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc(C)c1 ZINC000195122473 282368545 /nfs/dbraw/zinc/36/85/45/282368545.db2.gz YMUNDBYDWNQJEQ-KRWDZBQOSA-N 1 0 318.465 2.215 10 0 DEAERO c1coc(-c2nc(Cn3cc(C[NH2+]C4CC4)nn3)cs2)c1 ZINC000090297518 539416528 /nfs/dbraw/zinc/41/65/28/539416528.db2.gz MFPFFJOGMHHUKE-UHFFFAOYSA-N 1 0 301.375 2.295 10 0 DEAERO CC(=O)c1cccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000614964137 362500538 /nfs/dbraw/zinc/50/05/38/362500538.db2.gz LXHMRLWPUYVXIB-UHFFFAOYSA-N 1 0 300.402 2.447 10 0 DEAERO COC[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000615087173 362531116 /nfs/dbraw/zinc/53/11/16/362531116.db2.gz LQNOBPNIEWEXOV-GXTWGEPZSA-N 1 0 301.427 2.138 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccccc1OC ZINC000245425021 282387204 /nfs/dbraw/zinc/38/72/04/282387204.db2.gz KKAYGFNKJXYQOA-CABCVRRESA-N 1 0 317.433 2.192 10 0 DEAERO CCc1nc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cs1 ZINC000125405329 539472867 /nfs/dbraw/zinc/47/28/67/539472867.db2.gz CXPMJHAFKAEJBS-GHMZBOCLSA-N 1 0 308.451 2.130 10 0 DEAERO CC[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000133549523 539506851 /nfs/dbraw/zinc/50/68/51/539506851.db2.gz GVNPXHDHOQSNQP-BBWFWOEESA-N 1 0 304.434 2.233 10 0 DEAERO C[C@@H]([NH3+])Cc1c(N(C)Cc2cscn2)nc2ccccn21 ZINC000111501626 185609913 /nfs/dbraw/zinc/60/99/13/185609913.db2.gz CKWGOOSUBFCJSU-LLVKDONJSA-N 1 0 301.419 2.317 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2nc(C3CCCC3)no2)C1 ZINC000136742989 539518538 /nfs/dbraw/zinc/51/85/38/539518538.db2.gz WQELVCJRNVJPPZ-AWEZNQCLSA-N 1 0 320.437 2.260 10 0 DEAERO Fc1cc(OCCn2cc(C[NH2+]C3CC3)nn2)ccc1Cl ZINC000147487613 539521881 /nfs/dbraw/zinc/52/18/81/539521881.db2.gz LMHLVNUSUIPTCN-UHFFFAOYSA-N 1 0 310.760 2.402 10 0 DEAERO C[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1C ZINC000111715101 185629659 /nfs/dbraw/zinc/62/96/59/185629659.db2.gz CFCFTLRDBBNDQT-HUUCEWRRSA-N 1 0 310.463 2.455 10 0 DEAERO CCS(=O)(=O)c1ccc(N2CCC[C@@H]([C@@H](C)[NH2+]C)C2)cc1 ZINC000111716853 185630451 /nfs/dbraw/zinc/63/04/51/185630451.db2.gz VYJLVADSHGUZQQ-ZIAGYGMSSA-N 1 0 310.463 2.305 10 0 DEAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000111719517 185630657 /nfs/dbraw/zinc/63/06/57/185630657.db2.gz SQOVVUDAJVXZPI-HNNXBMFYSA-N 1 0 310.463 2.395 10 0 DEAERO Fc1ccc2oc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)nc2c1 ZINC000151275459 539526433 /nfs/dbraw/zinc/52/64/33/539526433.db2.gz ODKXOUOQPJFISQ-LBPRGKRZSA-N 1 0 315.352 2.471 10 0 DEAERO O=C(NCCOC1CC[NH2+]CC1)c1cc2c(s1)CCCC2 ZINC000111789648 185637056 /nfs/dbraw/zinc/63/70/56/185637056.db2.gz HZDMIKWQINHMME-UHFFFAOYSA-N 1 0 308.447 2.125 10 0 DEAERO NC(=O)c1ccc(NC2(C[NH3+])CCCC2)cc1C(F)(F)F ZINC000111833273 185640585 /nfs/dbraw/zinc/64/05/85/185640585.db2.gz OJQOOLXNBQHUBA-UHFFFAOYSA-N 1 0 301.312 2.488 10 0 DEAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000261817021 290826526 /nfs/dbraw/zinc/82/65/26/290826526.db2.gz UAUVXWOAQGPWND-OASPWFOLSA-N 1 0 311.223 2.277 10 0 DEAERO C[NH2+]CCOCCNC(=O)Nc1cc(Cl)ccc1Cl ZINC000625826310 365918293 /nfs/dbraw/zinc/91/82/93/365918293.db2.gz JVTBVHYOYNGXGB-UHFFFAOYSA-N 1 0 306.193 2.351 10 0 DEAERO C[C@@H](C[NH+](C)C)Nc1cc(Br)ccc1C(N)=S ZINC000123843289 185848361 /nfs/dbraw/zinc/84/83/61/185848361.db2.gz URALZVLSWIZCCO-QMMMGPOBSA-N 1 0 316.268 2.445 10 0 DEAERO COc1ccc(CCNC(=O)c2ccc(C[NH3+])o2)c(Cl)c1 ZINC000158881755 539579130 /nfs/dbraw/zinc/57/91/30/539579130.db2.gz ZMNJZBHFJSWNNP-UHFFFAOYSA-N 1 0 308.765 2.373 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1CNS(=O)(=O)c1cccc2ccccc21 ZINC000123901463 185854880 /nfs/dbraw/zinc/85/48/80/185854880.db2.gz LXJNOYLHLKNSAT-DZGCQCFKSA-N 1 0 304.415 2.246 10 0 DEAERO CCn1cc(Br)cc1C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000070146054 190862956 /nfs/dbraw/zinc/86/29/56/190862956.db2.gz CVEQRMVCAHVSLU-KOLCDFICSA-N 1 0 314.227 2.080 10 0 DEAERO COc1ccc(N)cc1NC(=O)CC[N@@H+]1CCSC[C@H]1C ZINC000070219166 190873300 /nfs/dbraw/zinc/87/33/00/190873300.db2.gz LHCNKVVFZZEJHH-LLVKDONJSA-N 1 0 309.435 2.043 10 0 DEAERO CCN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(OC)c(Br)c1 ZINC000070293051 190877294 /nfs/dbraw/zinc/87/72/94/190877294.db2.gz JHBWUZVUJCEITA-ZWNOBZJWSA-N 1 0 313.195 2.078 10 0 DEAERO CCOC(=O)c1c(NC(=O)CC[C@H](C)[NH3+])sc2c1CCC2 ZINC000070317645 190881142 /nfs/dbraw/zinc/88/11/42/190881142.db2.gz BEHNDDWTMZJYTF-VIFPVBQESA-N 1 0 310.419 2.479 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2cccnn2)C1 ZINC000616620087 362899673 /nfs/dbraw/zinc/89/96/73/362899673.db2.gz FEOZPAYPFRGQEB-ZDUSSCGKSA-N 1 0 306.410 2.181 10 0 DEAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000616637199 362901899 /nfs/dbraw/zinc/90/18/99/362901899.db2.gz SLOUDSGFPFOVKY-OAHLLOKOSA-N 1 0 323.412 2.297 10 0 DEAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000616634523 362901924 /nfs/dbraw/zinc/90/19/24/362901924.db2.gz UTUJGMGQEVKHGX-HNNXBMFYSA-N 1 0 323.412 2.297 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2conn2)CC1 ZINC000616627297 362900797 /nfs/dbraw/zinc/90/07/97/362900797.db2.gz HIJZWUHICBWMCR-GFCCVEGCSA-N 1 0 310.398 2.164 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000175406878 539623847 /nfs/dbraw/zinc/62/38/47/539623847.db2.gz LPCXDBWHLFJFSZ-IUODEOHRSA-N 1 0 315.417 2.105 10 0 DEAERO CN1CCc2ccc(NC(=O)N3CCC([NH+](C)C)CC3)cc21 ZINC000180284380 539644756 /nfs/dbraw/zinc/64/47/56/539644756.db2.gz WLQFBVLUKAEONI-UHFFFAOYSA-N 1 0 302.422 2.237 10 0 DEAERO CN(CC[NH+](C)C)C(=O)COc1ccc(Cl)c2cccnc12 ZINC000080388464 192154158 /nfs/dbraw/zinc/15/41/58/192154158.db2.gz VNPJYHFLAJHTHK-UHFFFAOYSA-N 1 0 321.808 2.287 10 0 DEAERO CCC[NH2+][C@](CO)(CN(CCOC)C(CC)CC)C1CC1 ZINC000070515003 190902963 /nfs/dbraw/zinc/90/29/63/190902963.db2.gz NTZKBDSYXKELMF-KRWDZBQOSA-N 1 0 300.487 2.264 10 0 DEAERO CC1(C)Cc2cccc(C[NH2+][C@]3(C)CCS(=O)(=O)C3)c2O1 ZINC000080507826 192164221 /nfs/dbraw/zinc/16/42/21/192164221.db2.gz XWUVPZHAYFBYKE-MRXNPFEDSA-N 1 0 309.431 2.067 10 0 DEAERO CCCN(c1ccccc1S(=O)(=O)C(F)F)[C@H]1CC[NH2+]C1 ZINC000071332793 190959034 /nfs/dbraw/zinc/95/90/34/190959034.db2.gz OUPGEBCBDADABX-NSHDSACASA-N 1 0 318.389 2.261 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c2C)[C@H](C)C1 ZINC000195265641 539720943 /nfs/dbraw/zinc/72/09/43/539720943.db2.gz YHVZWZMAAIBREG-PBHICJAKSA-N 1 0 321.465 2.200 10 0 DEAERO CCC[NH2+][C@H](C[S@](=O)CCOC)c1cc(C)ccc1OC ZINC000084036271 192396134 /nfs/dbraw/zinc/39/61/34/192396134.db2.gz GMGWRWOTMQSXRY-VFNWGFHPSA-N 1 0 313.463 2.439 10 0 DEAERO CCOc1ccc([C@@H](C[S@@](=O)C2CCOCC2)[NH2+]C)cc1 ZINC000084054945 192397607 /nfs/dbraw/zinc/39/76/07/192397607.db2.gz DHKPGLDBMXVFOK-IERDGZPVSA-N 1 0 311.447 2.274 10 0 DEAERO CCOC[C@H](Cc1ccc(I)cc1)[NH2+]C ZINC000084064281 192399669 /nfs/dbraw/zinc/39/96/69/192399669.db2.gz YBGZBLIHCAFAMG-LBPRGKRZSA-N 1 0 319.186 2.458 10 0 DEAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000214924290 539725893 /nfs/dbraw/zinc/72/58/93/539725893.db2.gz JOIYDKINZXKQBU-QWHCGFSZSA-N 1 0 300.424 2.231 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000235280438 539736844 /nfs/dbraw/zinc/73/68/44/539736844.db2.gz DKLPQXSVMSVJAX-UMVBOHGHSA-N 1 0 308.447 2.111 10 0 DEAERO CCCCC(=O)N(CCC(=O)OCC)CC[NH+](CC)CC ZINC000071603550 190992809 /nfs/dbraw/zinc/99/28/09/190992809.db2.gz WNEYGTTZTIGZMA-UHFFFAOYSA-N 1 0 300.443 2.300 10 0 DEAERO CCOc1ccc2[nH]c(CN(C)C3CC[NH+](C)CC3)nc2c1 ZINC000071675478 191005353 /nfs/dbraw/zinc/00/53/53/191005353.db2.gz FFHWELACNJNQKF-UHFFFAOYSA-N 1 0 302.422 2.488 10 0 DEAERO C[C@@H]([NH3+])c1nc(CC(=O)Nc2ccc3n[nH]cc3c2)cs1 ZINC000071695412 191008868 /nfs/dbraw/zinc/00/88/68/191008868.db2.gz YWOCIBBGLAXDIF-MRVPVSSYSA-N 1 0 301.375 2.220 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(CC)CC)c1 ZINC000138254690 186015705 /nfs/dbraw/zinc/01/57/05/186015705.db2.gz ITTZUNXWECDRMT-UHFFFAOYSA-N 1 0 306.378 2.105 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCCN1C(=O)CN[C@H]1c1cccs1 ZINC000138456957 186017069 /nfs/dbraw/zinc/01/70/69/186017069.db2.gz PVAXSMMNKDXYGL-CZUORRHYSA-N 1 0 307.463 2.443 10 0 DEAERO C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138931102 186019575 /nfs/dbraw/zinc/01/95/75/186019575.db2.gz XZFZHMGBIQSZHC-VHSXEESVSA-N 1 0 318.389 2.233 10 0 DEAERO [NH3+][C@H]1CC[C@@H](c2nc(-c3ccc(Br)cn3)no2)C1 ZINC000139792420 186023970 /nfs/dbraw/zinc/02/39/70/186023970.db2.gz LXXJVYIYOPZFQF-APPZFPTMSA-N 1 0 309.167 2.489 10 0 DEAERO C[NH+](C)CCn1ncc(Cl)c1[C@@H](O)[C@@]1(C)CCCS1 ZINC000140178881 186025949 /nfs/dbraw/zinc/02/59/49/186025949.db2.gz AIYNQFQWSDKOCZ-CHWSQXEVSA-N 1 0 303.859 2.417 10 0 DEAERO C[NH2+][C@@H](Cc1cccnc1N)c1ccc(Br)cn1 ZINC000140221266 186025969 /nfs/dbraw/zinc/02/59/69/186025969.db2.gz OYTKLONYVAIRLN-LBPRGKRZSA-N 1 0 307.195 2.325 10 0 DEAERO CCC[C@@H]1N[C@H](c2cccs2)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000142793235 186032324 /nfs/dbraw/zinc/03/23/24/186032324.db2.gz QVRQNXFHTKJFTO-IPYPFGDCSA-N 1 0 307.463 2.441 10 0 DEAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccc(-n3ccnc3)nc1)CC2 ZINC000140544698 186027160 /nfs/dbraw/zinc/02/71/60/186027160.db2.gz RCMJQSZYPGNLDI-AEFFLSMTSA-N 1 0 312.417 2.394 10 0 DEAERO C[NH+](C)C1(CNC(=O)c2cc(Cl)ccc2NN)CCCC1 ZINC000147476062 186040180 /nfs/dbraw/zinc/04/01/80/186040180.db2.gz JPXZNSKZUMDIFT-UHFFFAOYSA-N 1 0 310.829 2.230 10 0 DEAERO CCC(C)(C)N(C)[C@@]1(C[NH3+])CCS(=O)(=O)c2ccccc21 ZINC000147658000 186040534 /nfs/dbraw/zinc/04/05/34/186040534.db2.gz ROQSZTAPEQRHDY-MRXNPFEDSA-N 1 0 310.463 2.138 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCCN1[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147718376 186041490 /nfs/dbraw/zinc/04/14/90/186041490.db2.gz KVDZVBCUKGFLSF-BPLDGKMQSA-N 1 0 308.447 2.107 10 0 DEAERO CCc1ccc([C@H](C)[NH2+]C[C@H](O)COC[C@H]2CCCO2)cc1 ZINC000248498435 539774240 /nfs/dbraw/zinc/77/42/40/539774240.db2.gz NWQCUBJYSTZQGE-JCGIZDLHSA-N 1 0 307.434 2.456 10 0 DEAERO CN(C1CCC([NH3+])CC1)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000147734080 186041559 /nfs/dbraw/zinc/04/15/59/186041559.db2.gz HXNDIJITFTYKML-PIMMBPRGSA-N 1 0 308.447 2.107 10 0 DEAERO Cc1cc(OCc2ccccc2Br)nc(NN)[nH+]1 ZINC000147825426 186041826 /nfs/dbraw/zinc/04/18/26/186041826.db2.gz FTRNWIXXMSJWJN-UHFFFAOYSA-N 1 0 309.167 2.412 10 0 DEAERO Cc1c[nH+]c(NN)nc1OCc1ccc(Br)cc1 ZINC000147817716 186041929 /nfs/dbraw/zinc/04/19/29/186041929.db2.gz RQYZXISVMLHBEB-UHFFFAOYSA-N 1 0 309.167 2.412 10 0 DEAERO C[C@@]1(c2noc([C@]3(C(F)(F)F)CC[NH2+]C3)n2)CCCCO1 ZINC000148023549 186042763 /nfs/dbraw/zinc/04/27/63/186042763.db2.gz KASBMLHMSNGMMD-RYUDHWBXSA-N 1 0 305.300 2.279 10 0 DEAERO Nc1ncc(Cl)c(O[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000148395305 186044356 /nfs/dbraw/zinc/04/43/56/186044356.db2.gz YXZHQKLZPGMWPJ-LBPRGKRZSA-N 1 0 304.781 2.366 10 0 DEAERO CC[C@]1(C)N[C@@H](c2cccs2)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000142827683 186032942 /nfs/dbraw/zinc/03/29/42/186032942.db2.gz XIPCEIPPNCBERD-XPKDYRNWSA-N 1 0 307.463 2.441 10 0 DEAERO O=C1N(CC[NH+]2CCCCC2)[C@H](c2ccsc2)NC12CC2 ZINC000144042891 186034396 /nfs/dbraw/zinc/03/43/96/186034396.db2.gz XSUCEMUSLGZVSQ-CQSZACIVSA-N 1 0 305.447 2.197 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CN1C(=O)C2(CC2)N[C@H]1c1cccs1 ZINC000144370057 186034805 /nfs/dbraw/zinc/03/48/05/186034805.db2.gz VSJBHIXGRMIAGV-TZMCWYRMSA-N 1 0 305.447 2.195 10 0 DEAERO CC[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N(C)C1CCC1 ZINC000144669782 186035796 /nfs/dbraw/zinc/03/57/96/186035796.db2.gz XZNPCXLFEGFDLK-UHFFFAOYSA-N 1 0 300.424 2.179 10 0 DEAERO CC(C)[C@H](C[NH+](C)C)N1C(=O)C2(CC2)N[C@@H]1c1ccsc1 ZINC000145035678 186036319 /nfs/dbraw/zinc/03/63/19/186036319.db2.gz FGMZJLZRFHTVOP-KBPBESRZSA-N 1 0 307.463 2.297 10 0 DEAERO C[C@H](O)C(C)(C)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000145027666 186036650 /nfs/dbraw/zinc/03/66/50/186036650.db2.gz NHZJMVVKZBCDOX-VHSXEESVSA-N 1 0 322.232 2.482 10 0 DEAERO Cc1ccc([C@@H]2N[C@@H](C)C(=O)N2[C@@H](C)C[NH+]2CCCC2)s1 ZINC000145805386 186037877 /nfs/dbraw/zinc/03/78/77/186037877.db2.gz NOJTZRQTHZJCAX-CORIIIEPSA-N 1 0 307.463 2.360 10 0 DEAERO CCC(CC)C[C@@H](C[NH2+]CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000149093449 186048085 /nfs/dbraw/zinc/04/80/85/186048085.db2.gz ADXLIAZEFBNPKF-GJZGRUSLSA-N 1 0 305.484 2.100 10 0 DEAERO C[NH2+][C@@H](C)[C@@H]1CCCCN1S(=O)(=O)CCc1ccccc1 ZINC000149259735 186048676 /nfs/dbraw/zinc/04/86/76/186048676.db2.gz HZGQQQBWAMHZCX-HOCLYGCPSA-N 1 0 310.463 2.021 10 0 DEAERO C[C@H](CS(=O)(=O)NC[C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000149378667 186049441 /nfs/dbraw/zinc/04/94/41/186049441.db2.gz LEQICHDMONTTGW-KFWWJZLASA-N 1 0 310.463 2.098 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000149514152 186051122 /nfs/dbraw/zinc/05/11/22/186051122.db2.gz LFAVVLGIBNKOML-SNVBAGLBSA-N 1 0 311.813 2.355 10 0 DEAERO CCC[NH2+][C@H](C)c1sc(C[C@@H]2CN(C)CCN2C)nc1C 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CC[C@@H]1CN(S(=O)(=O)c2cc(C)sc2C)CC[C@H]1[NH3+] ZINC000251893609 539784168 /nfs/dbraw/zinc/78/41/68/539784168.db2.gz WFXSOBBQILZFJH-VXGBXAGGSA-N 1 0 302.465 2.113 10 0 DEAERO [NH3+][C@@H](Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)c1ccccc1 ZINC000150260643 186056012 /nfs/dbraw/zinc/05/60/12/186056012.db2.gz WPBIBYVLRYNNCF-OCCSQVGLSA-N 1 0 322.455 2.288 10 0 DEAERO CC(C)Cc1ccc([C@H]([NH2+]CC(=O)NC(N)=O)C2CC2)cc1 ZINC000152628576 186091107 /nfs/dbraw/zinc/09/11/07/186091107.db2.gz RTTVTTRBLNCXGJ-INIZCTEOSA-N 1 0 303.406 2.121 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000152665445 186095449 /nfs/dbraw/zinc/09/54/49/186095449.db2.gz SVVLOBNWBDNFLH-QZTJIDSGSA-N 1 0 315.461 2.238 10 0 DEAERO COC(=O)c1[nH]c(C)c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1C ZINC000155756561 186109711 /nfs/dbraw/zinc/10/97/11/186109711.db2.gz FODUSZPFOACUED-ZDUSSCGKSA-N 1 0 323.437 2.124 10 0 DEAERO CC(C(=O)N[C@@H](C)Cc1ccc(Br)cc1)=C1C[NH2+]C1 ZINC000164001632 186145512 /nfs/dbraw/zinc/14/55/12/186145512.db2.gz RYBRNGUNIBOPQC-JTQLQIEISA-N 1 0 323.234 2.416 10 0 DEAERO O=C(Nc1ccc(C(F)(F)F)cc1)OC[C@@H]1C[NH2+]CCO1 ZINC000164143577 186149676 /nfs/dbraw/zinc/14/96/76/186149676.db2.gz PXRREYOVTWNMEE-NSHDSACASA-N 1 0 304.268 2.242 10 0 DEAERO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)C[C@H](C)c1ccccc1 ZINC000155891927 186120764 /nfs/dbraw/zinc/12/07/64/186120764.db2.gz JXZBREBKUSWVCW-HOCLYGCPSA-N 1 0 312.479 2.473 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(F)(F)F)c(C(N)=S)c2)CC1 ZINC000164144911 186149822 /nfs/dbraw/zinc/14/98/22/186149822.db2.gz KYFAXGGGQFKDHZ-UHFFFAOYSA-N 1 0 317.380 2.482 10 0 DEAERO CCCNS(=O)(=O)c1ccccc1N[C@](C)(C[NH3+])C(C)C ZINC000155978337 186124453 /nfs/dbraw/zinc/12/44/53/186124453.db2.gz GPJKYHHPMPSARY-OAHLLOKOSA-N 1 0 313.467 2.160 10 0 DEAERO CCC[C@H](C[NH3+])Nc1cnn(C(C)C)c(=O)c1Br ZINC000159602006 186130144 /nfs/dbraw/zinc/13/01/44/186130144.db2.gz NZZNFHTUYYMJEY-SECBINFHSA-N 1 0 317.231 2.126 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)Nc1c(C)cc(C)cc1Br ZINC000159673554 186134556 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C[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccc(C(N)=S)cc1 ZINC000164357469 186157500 /nfs/dbraw/zinc/15/75/00/186157500.db2.gz SLLSOMXLTKRCOQ-NWDGAFQWSA-N 1 0 305.447 2.380 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)Nc1ccc2oc(C)nc2c1 ZINC000175735929 186191631 /nfs/dbraw/zinc/19/16/31/186191631.db2.gz DQZPRWJBISZLNX-UHFFFAOYSA-N 1 0 320.393 2.226 10 0 DEAERO CCC(CC)(CC)[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000175673869 186186565 /nfs/dbraw/zinc/18/65/65/186186565.db2.gz GERJZUIJUJFSMW-ZDUSSCGKSA-N 1 0 318.417 2.202 10 0 DEAERO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ncnn2CC(F)F)C1 ZINC000225615166 186284128 /nfs/dbraw/zinc/28/41/28/186284128.db2.gz LSORRSHSCUUZFC-IAQYHMDHSA-N 1 0 316.396 2.210 10 0 DEAERO CC(=O)c1ccc(CC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000617017663 363001038 /nfs/dbraw/zinc/00/10/38/363001038.db2.gz ZVIYBLYTBSMRBW-INIZCTEOSA-N 1 0 302.418 2.421 10 0 DEAERO Cc1cnn(CCCCC[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000171930463 198009686 /nfs/dbraw/zinc/00/96/86/198009686.db2.gz MJHADBJXZHUGHK-MRXNPFEDSA-N 1 0 302.426 2.290 10 0 DEAERO C[C@H](C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccccc1 ZINC000172011297 198026424 /nfs/dbraw/zinc/02/64/24/198026424.db2.gz ANENJBUGCDUZDD-AEFFLSMTSA-N 1 0 316.445 2.361 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)CCc2ccco2)C[C@H]1CC ZINC000172298380 198074007 /nfs/dbraw/zinc/07/40/07/198074007.db2.gz ONDBQPLFSRGODQ-OAHLLOKOSA-N 1 0 308.422 2.172 10 0 DEAERO C[C@H](C(=O)Nc1cccnc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802883 198150477 /nfs/dbraw/zinc/15/04/77/198150477.db2.gz GEPRHILDAJWMOW-CHWSQXEVSA-N 1 0 322.840 2.232 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172801948 198150568 /nfs/dbraw/zinc/15/05/68/198150568.db2.gz MONQATGIWFCQQZ-XJKSGUPXSA-N 1 0 305.397 2.323 10 0 DEAERO CCN(C(C)=O)c1nc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000172849298 198158057 /nfs/dbraw/zinc/15/80/57/198158057.db2.gz CIBKBBSWUXKRBY-IUODEOHRSA-N 1 0 324.494 2.430 10 0 DEAERO COc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000173188290 198193434 /nfs/dbraw/zinc/19/34/34/198193434.db2.gz IBPFTBGWEVHBRF-ZFWWWQNUSA-N 1 0 305.422 2.319 10 0 DEAERO O=C(NCc1ccccc1Cl)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173226935 198197941 /nfs/dbraw/zinc/19/79/41/198197941.db2.gz OVUVDBDLMZSVAM-CQSZACIVSA-N 1 0 305.809 2.496 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000173272572 198204256 /nfs/dbraw/zinc/20/42/56/198204256.db2.gz GSUVGYOPDFXWOD-WCQYABFASA-N 1 0 316.854 2.443 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333507644 539962005 /nfs/dbraw/zinc/96/20/05/539962005.db2.gz DZLASQHAQZJPRY-ZDUSSCGKSA-N 1 0 322.840 2.266 10 0 DEAERO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)n(C)n1 ZINC000333721911 539970091 /nfs/dbraw/zinc/97/00/91/539970091.db2.gz RQJNMLYFYNECTE-FHIRATQRSA-N 1 0 302.422 2.035 10 0 DEAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000173885788 198264586 /nfs/dbraw/zinc/26/45/86/198264586.db2.gz UTIGDTUZKHNAQQ-AAEUAGOBSA-N 1 0 316.854 2.347 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCCCNc2ccccn2)CC[N@@H+]1C ZINC000173955075 198272899 /nfs/dbraw/zinc/27/28/99/198272899.db2.gz HHFWIJJOOFECOF-HUUCEWRRSA-N 1 0 319.453 2.008 10 0 DEAERO CCn1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cn1 ZINC000174181201 198303033 /nfs/dbraw/zinc/30/30/33/198303033.db2.gz MDZSJWDTZXETSN-CABCVRRESA-N 1 0 305.426 2.382 10 0 DEAERO CC(C)CNC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174384313 198329278 /nfs/dbraw/zinc/32/92/78/198329278.db2.gz JATIMFGPHWKIAT-IRXDYDNUSA-N 1 0 304.434 2.347 10 0 DEAERO Cc1cc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C3(C)C)CC2)n[nH]1 ZINC000333104238 282917328 /nfs/dbraw/zinc/91/73/28/282917328.db2.gz QORBHANHGOVUHV-FVQBIDKESA-N 1 0 304.438 2.090 10 0 DEAERO CCc1nc(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)cs1 ZINC000174977005 198410551 /nfs/dbraw/zinc/41/05/51/198410551.db2.gz DSZGMIVASUDNTE-KBPBESRZSA-N 1 0 307.463 2.333 10 0 DEAERO COc1ncc(C)cc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000174987503 198411573 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C[N@@H+]1CC[C@@H](NC(=O)CC2(O)CCCC2)[C@H]1c1ccccc1 ZINC000247981935 283047524 /nfs/dbraw/zinc/04/75/24/283047524.db2.gz HOXYCRAIWHTRLL-NVXWUHKLSA-N 1 0 302.418 2.243 10 0 DEAERO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000373100185 540116600 /nfs/dbraw/zinc/11/66/00/540116600.db2.gz QPSMSYWFZVGVBO-UHFFFAOYSA-N 1 0 317.389 2.362 10 0 DEAERO COc1cccc(OC)c1C(=O)N1CC[NH+]([C@H](C)C2CC2)CC1 ZINC000074766675 191358419 /nfs/dbraw/zinc/35/84/19/191358419.db2.gz AZTFERCDWDVIHE-CYBMUJFWSA-N 1 0 318.417 2.260 10 0 DEAERO C[C@H]1CN(C(=O)Oc2ccccc2)CC[C@H]1[NH+]1CCOCC1 ZINC000073655139 191337967 /nfs/dbraw/zinc/33/79/67/191337967.db2.gz KEYRGLPXBXPXGJ-GOEBONIOSA-N 1 0 304.390 2.228 10 0 DEAERO COC(=O)c1cc(Br)ccc1OCC[NH+](C)C ZINC000073711429 191346989 /nfs/dbraw/zinc/34/69/89/191346989.db2.gz BNECDBZHABJHCV-UHFFFAOYSA-N 1 0 302.168 2.176 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)C[C@H](C)O ZINC000073722213 191347389 /nfs/dbraw/zinc/34/73/89/191347389.db2.gz ZSNABQNWBJRWEL-KBPBESRZSA-N 1 0 301.475 2.059 10 0 DEAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)CC1([NH3+])CC1 ZINC000398150251 540140238 /nfs/dbraw/zinc/14/02/38/540140238.db2.gz RSHLKYWBRNBLIL-JTQLQIEISA-N 1 0 311.223 2.378 10 0 DEAERO COC(=O)c1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000089451567 355534106 /nfs/dbraw/zinc/53/41/06/355534106.db2.gz JTNYABIOJFPCOC-GXSJLCMTSA-N 1 0 310.781 2.440 10 0 DEAERO CC[C@@H]1CC(=O)[C@@H]2Oc3c4c(ccc3OC)C[C@H]3[NH2+]CC[C@]42[C@@H]13 ZINC000100957178 355708690 /nfs/dbraw/zinc/70/86/90/355708690.db2.gz SPXQIYBKRHDHAO-JTJXXDHKSA-N 1 0 313.397 2.227 10 0 DEAERO C[C@H](CNC(=O)N[C@H](C)c1ccc2c(c1)OCO2)[N@H+](C)C1CC1 ZINC000105100121 355719871 /nfs/dbraw/zinc/71/98/71/355719871.db2.gz XBPZVQBMDBKGLK-VXGBXAGGSA-N 1 0 319.405 2.258 10 0 DEAERO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CSC(=O)N1 ZINC000077983180 191803593 /nfs/dbraw/zinc/80/35/93/191803593.db2.gz DFMQFSMADYAWEQ-AWEZNQCLSA-N 1 0 319.430 2.088 10 0 DEAERO [NH3+]Cc1ccc(-c2cnc3ccc(NC4CCOCC4)nn32)cc1 ZINC000115124918 355766831 /nfs/dbraw/zinc/76/68/31/355766831.db2.gz FCTDCKHFWMFWRI-UHFFFAOYSA-N 1 0 323.400 2.446 10 0 DEAERO COCc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)o1 ZINC000132202308 355851210 /nfs/dbraw/zinc/85/12/10/355851210.db2.gz JJTRRRKSBAJYDY-HNNXBMFYSA-N 1 0 316.401 2.329 10 0 DEAERO CCN(CCNC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(C)c1 ZINC000170863155 355994331 /nfs/dbraw/zinc/99/43/31/355994331.db2.gz LHWUOOCGCUBCNE-KRWDZBQOSA-N 1 0 318.465 2.167 10 0 DEAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182032230 356105858 /nfs/dbraw/zinc/10/58/58/356105858.db2.gz ICCOIINIWKHVET-UONOGXRCSA-N 1 0 315.421 2.079 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1c[nH]c2cc(F)ccc21 ZINC000181142779 356073528 /nfs/dbraw/zinc/07/35/28/356073528.db2.gz FYADUJVYVKWEIT-UHFFFAOYSA-N 1 0 319.380 2.149 10 0 DEAERO CC(C)c1noc2ncc(C(=O)NCC3(C)CC[NH2+]CC3)cc21 ZINC000181278978 356077161 /nfs/dbraw/zinc/07/71/61/356077161.db2.gz ZGOGJTKPHCWVPN-UHFFFAOYSA-N 1 0 316.405 2.466 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)c2cccc(C(N)=[NH2+])c2)cc1 ZINC000079784165 191972222 /nfs/dbraw/zinc/97/22/22/191972222.db2.gz KEIVLLLAMAHSOD-UHFFFAOYSA-N 1 0 303.387 2.104 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(N(C)C)n2)[C@H](C)C1 ZINC000181937061 356101006 /nfs/dbraw/zinc/10/10/06/356101006.db2.gz VRDFQPQKLLKNKO-ZIAGYGMSSA-N 1 0 319.453 2.342 10 0 DEAERO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183461964 356173158 /nfs/dbraw/zinc/17/31/58/356173158.db2.gz NYNGHNNIPVUUEE-CABCVRRESA-N 1 0 317.433 2.327 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C[C@@H](C)c2nccs2)C1 ZINC000182857840 356149319 /nfs/dbraw/zinc/14/93/19/356149319.db2.gz JSQOHDSOZMXNOT-CHWSQXEVSA-N 1 0 310.467 2.372 10 0 DEAERO C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC1)c1ccc2c(c1)OCO2 ZINC000185104448 356201299 /nfs/dbraw/zinc/20/12/99/356201299.db2.gz GFFHTKCBCZMISK-GFCCVEGCSA-N 1 0 319.405 2.212 10 0 DEAERO CCn1c(C)nnc1CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693296 356209606 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ZINC000194557455 356241302 /nfs/dbraw/zinc/24/13/02/356241302.db2.gz COPHQTVAVCSMOE-HNNXBMFYSA-N 1 0 311.376 2.291 10 0 DEAERO OCCCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000236498376 356290231 /nfs/dbraw/zinc/29/02/31/356290231.db2.gz UMHVPRZDDCFGIJ-JTQLQIEISA-N 1 0 308.205 2.095 10 0 DEAERO CC[C@](C)([NH3+])COc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000080843904 192195589 /nfs/dbraw/zinc/19/55/89/192195589.db2.gz LGIVYXVDCKRRPV-NSHDSACASA-N 1 0 311.325 2.486 10 0 DEAERO COc1cc(OC)cc(C(=O)Nc2nc([C@H](C)[NH3+])cs2)c1 ZINC000080862848 192196347 /nfs/dbraw/zinc/19/63/47/192196347.db2.gz KVMOYPMBUOMYMI-QMMMGPOBSA-N 1 0 307.375 2.432 10 0 DEAERO CC[C@](C)(CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000080897624 192198868 /nfs/dbraw/zinc/19/88/68/192198868.db2.gz HWLLOGBUKFYSMO-QMTHXVAHSA-N 1 0 322.232 2.484 10 0 DEAERO C[C@H]1CCC[C@@]([NH3+])(CNCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000080934501 192203332 /nfs/dbraw/zinc/20/33/32/192203332.db2.gz SDFWYGIEIAICAO-BBRMVZONSA-N 1 0 310.463 2.087 10 0 DEAERO COC(=O)C[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1cccs1 ZINC000080995241 192210714 /nfs/dbraw/zinc/21/07/14/192210714.db2.gz YXJUDTYPLMLKHC-RYUDHWBXSA-N 1 0 310.419 2.001 10 0 DEAERO CCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400709948 283158689 /nfs/dbraw/zinc/15/86/89/283158689.db2.gz DLFUDHNBXQDHBU-MCIONIFRSA-N 1 0 300.443 2.383 10 0 DEAERO Cc1nccn1CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400458168 283156851 /nfs/dbraw/zinc/15/68/51/283156851.db2.gz SXVYDJLVBROAAS-ZFWWWQNUSA-N 1 0 322.453 2.427 10 0 DEAERO COC[C@H]1CCN(c2ccc(C(F)(F)F)cc2C(N)=[NH2+])C1 ZINC000081066692 192222944 /nfs/dbraw/zinc/22/29/44/192222944.db2.gz BOQXCSFWAIEQGZ-VIFPVBQESA-N 1 0 301.312 2.462 10 0 DEAERO Cc1nccn1CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400458161 283157143 /nfs/dbraw/zinc/15/71/43/283157143.db2.gz SXVYDJLVBROAAS-DZGCQCFKSA-N 1 0 322.453 2.427 10 0 DEAERO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401950208 283162209 /nfs/dbraw/zinc/16/22/09/283162209.db2.gz UDYKXRHWRSONBN-SJORKVTESA-N 1 0 317.433 2.081 10 0 DEAERO CCCN(CCC)C(=O)CCCC(=O)N1CCC([NH2+]C)CC1 ZINC000262571504 535315955 /nfs/dbraw/zinc/31/59/55/535315955.db2.gz DRAVLFJYRBTWBH-UHFFFAOYSA-N 1 0 311.470 2.016 10 0 DEAERO O=C(CC1C[NH2+]C1)Nc1c(F)cc(F)cc1Br ZINC000081746274 192320827 /nfs/dbraw/zinc/32/08/27/192320827.db2.gz MRYXQWDMLGPHKU-UHFFFAOYSA-N 1 0 305.122 2.275 10 0 DEAERO COCC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000081714824 192316222 /nfs/dbraw/zinc/31/62/22/192316222.db2.gz WGYHJDXIDUGOEN-QWHCGFSZSA-N 1 0 301.814 2.403 10 0 DEAERO CCC[C@@H](C)C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000374359805 535326360 /nfs/dbraw/zinc/32/63/60/535326360.db2.gz LXVODOIWSIKIMZ-CQSZACIVSA-N 1 0 302.484 2.313 10 0 DEAERO CCC[NH2+][C@H](c1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000086021641 192544265 /nfs/dbraw/zinc/54/42/65/192544265.db2.gz VENBRDGZMFGROL-ABAIWWIYSA-N 1 0 315.410 2.310 10 0 DEAERO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCn1cncn1 ZINC000381820494 356673198 /nfs/dbraw/zinc/67/31/98/356673198.db2.gz UMISPWVLJIMZAK-UONOGXRCSA-N 1 0 323.441 2.046 10 0 DEAERO COC[C@](C)(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000382537732 356676386 /nfs/dbraw/zinc/67/63/86/356676386.db2.gz CCICONHFMQQHSO-GFCCVEGCSA-N 1 0 306.175 2.075 10 0 DEAERO CCCC(=O)N1CCC[C@H]1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000359496551 535339470 /nfs/dbraw/zinc/33/94/70/535339470.db2.gz SNFKSQSKTCPXFE-INIZCTEOSA-N 1 0 323.481 2.016 10 0 DEAERO c1c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)nnn1CC1CC1 ZINC000428192636 356738070 /nfs/dbraw/zinc/73/80/70/356738070.db2.gz STCGSSSBNSAKRK-BZUAXINKSA-N 1 0 302.422 2.125 10 0 DEAERO CCS(=O)(=O)CCCN1C[C@@H](C)[NH2+]C[C@@H]1C1CCCCC1 ZINC000086982152 192606442 /nfs/dbraw/zinc/60/64/42/192606442.db2.gz VRCGUIDRTVWCNW-GDBMZVCRSA-N 1 0 316.511 2.054 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CSC2(C)C)c1 ZINC000578642549 356849941 /nfs/dbraw/zinc/84/99/41/356849941.db2.gz PUDXGCMIIOCILF-UKRRQHHQSA-N 1 0 309.431 2.113 10 0 DEAERO NNc1[nH+]c(-c2cncc(Br)c2)nc2c1CCC2 ZINC000087282277 192634877 /nfs/dbraw/zinc/63/48/77/192634877.db2.gz BNJMATZVWNYFJL-UHFFFAOYSA-N 1 0 306.167 2.075 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Br)cc1)[C@@H](O)C1CCOCC1 ZINC000087350808 192641190 /nfs/dbraw/zinc/64/11/90/192641190.db2.gz NUFPUVJBNYWJAY-KBPBESRZSA-N 1 0 314.223 2.279 10 0 DEAERO Cc1noc(CC[NH2+][C@@H](C)c2cncc(Br)c2)n1 ZINC000581083604 357128812 /nfs/dbraw/zinc/12/88/12/357128812.db2.gz VNBPQWGGYKKEGD-QMMMGPOBSA-N 1 0 311.183 2.429 10 0 DEAERO CC(C)CCN(C)S(=O)(=O)c1ccc(OCCC[NH3+])cc1 ZINC000088991708 192685944 /nfs/dbraw/zinc/68/59/44/192685944.db2.gz VBGWHACFGXHZPO-UHFFFAOYSA-N 1 0 314.451 2.081 10 0 DEAERO C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C(C)(C)c1ccccc1 ZINC000585754276 357352607 /nfs/dbraw/zinc/35/26/07/357352607.db2.gz DICSEUKYXWHDCD-UHFFFAOYSA-N 1 0 305.422 2.478 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)C1 ZINC000586764077 357367127 /nfs/dbraw/zinc/36/71/27/357367127.db2.gz YFFKXUWGNFYXQL-LSDHHAIUSA-N 1 0 316.445 2.401 10 0 DEAERO C[C@H](NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000178619568 198897719 /nfs/dbraw/zinc/89/77/19/198897719.db2.gz XMEFICWUWBLAFF-XJKSGUPXSA-N 1 0 321.852 2.297 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccn2)[C@@H]1c1ccccc1 ZINC000179274566 199008423 /nfs/dbraw/zinc/00/84/23/199008423.db2.gz QIELEZYDGIIWDJ-SJORKVTESA-N 1 0 310.401 2.326 10 0 DEAERO CN(C)c1ccnc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000179221273 199000440 /nfs/dbraw/zinc/00/04/40/199000440.db2.gz LQSAAOUYRHRDFS-WMZOPIPTSA-N 1 0 324.428 2.323 10 0 DEAERO CN1CCO[C@H](CSCc2ncc(Br)s2)C1 ZINC000592359045 357865742 /nfs/dbraw/zinc/86/57/42/357865742.db2.gz QGQJJFLPRYMTMC-QMMMGPOBSA-N 1 0 323.281 2.469 10 0 DEAERO c1[nH]nc2cc(C[NH+]3CCC(Nc4cccnn4)CC3)ccc12 ZINC000179497555 199045408 /nfs/dbraw/zinc/04/54/08/199045408.db2.gz ONAIOFAEPYDKSP-UHFFFAOYSA-N 1 0 308.389 2.429 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)Cc2c(F)cccc2F)CC1 ZINC000179517818 199048846 /nfs/dbraw/zinc/04/88/46/199048846.db2.gz VAHWNKDXSAXMHR-ZDUSSCGKSA-N 1 0 312.404 2.489 10 0 DEAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cnn4ccccc34)C2)no1 ZINC000179862337 199088652 /nfs/dbraw/zinc/08/86/52/199088652.db2.gz IQSYBMMDOSTRTC-CQSZACIVSA-N 1 0 311.389 2.480 10 0 DEAERO CN1CCc2ccc(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)cc21 ZINC000180236469 199134688 /nfs/dbraw/zinc/13/46/88/199134688.db2.gz QJIUTNYVPJRTAH-MRXNPFEDSA-N 1 0 314.433 2.381 10 0 DEAERO CCC[C@@H](C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000180334586 199147518 /nfs/dbraw/zinc/14/75/18/199147518.db2.gz BNXJOHQOLBWNPG-HOTGVXAUSA-N 1 0 310.463 2.194 10 0 DEAERO CS[C@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000593910559 358170389 /nfs/dbraw/zinc/17/03/89/358170389.db2.gz XNGVZIQGLBNVGG-UKKRHICBSA-N 1 0 310.385 2.175 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(F)cc1OC(F)F ZINC000180501228 199167659 /nfs/dbraw/zinc/16/76/59/199167659.db2.gz FVTVQPFVUWBQQF-PWSUYJOCSA-N 1 0 318.339 2.408 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2[nH]c(-c3ccccc3)nc2C)C1 ZINC000594368154 358250118 /nfs/dbraw/zinc/25/01/18/358250118.db2.gz AFMNPFFXPKDVFA-AWEZNQCLSA-N 1 0 312.417 2.457 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(-n2ccnc2)cc1 ZINC000180590624 199180426 /nfs/dbraw/zinc/18/04/26/199180426.db2.gz STLHUCOQJXIMOD-DZGCQCFKSA-N 1 0 308.389 2.129 10 0 DEAERO CCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180722410 199202003 /nfs/dbraw/zinc/20/20/03/199202003.db2.gz CIFKWNZZXPHXCH-VIFPVBQESA-N 1 0 315.776 2.366 10 0 DEAERO CCCn1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000180751328 199204310 /nfs/dbraw/zinc/20/43/10/199204310.db2.gz UQEHSRSYIFWBNL-KRWDZBQOSA-N 1 0 314.433 2.196 10 0 DEAERO CCSC1(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000595098574 358389886 /nfs/dbraw/zinc/38/98/86/358389886.db2.gz IUWHWMTZGNZVKB-LLVKDONJSA-N 1 0 314.476 2.270 10 0 DEAERO CCC[NH2+]Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H]2C[C@H]2C)c1 ZINC000089024798 192705607 /nfs/dbraw/zinc/70/56/07/192705607.db2.gz YOHLUMQSIZKVRT-IUODEOHRSA-N 1 0 310.463 2.490 10 0 DEAERO C[NH2+]CCCS(=O)(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000089027727 192708423 /nfs/dbraw/zinc/70/84/23/192708423.db2.gz NPZQDPGUKNVMKF-NSHDSACASA-N 1 0 304.843 2.272 10 0 DEAERO CCc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089132413 192732364 /nfs/dbraw/zinc/73/23/64/192732364.db2.gz FHDAIMGCWSIKDO-ZBFHGGJFSA-N 1 0 310.463 2.387 10 0 DEAERO Cc1nn(C)c(CN(C)Cc2cccc(C(N)=[NH2+])c2)c1Cl ZINC000089234216 192747746 /nfs/dbraw/zinc/74/77/46/192747746.db2.gz RHPASHCRPIRCIS-UHFFFAOYSA-N 1 0 305.813 2.298 10 0 DEAERO CCn1nc(C)c(Cl)c1CN1CCC[C@H]1C[NH2+]CCOC ZINC000089279487 192757262 /nfs/dbraw/zinc/75/72/62/192757262.db2.gz HOQAAPNQSRMFRI-ZDUSSCGKSA-N 1 0 314.861 2.065 10 0 DEAERO CC[NH2+][C@H](COCC)Cc1c(Br)c(CC)nn1C ZINC000089329592 192768096 /nfs/dbraw/zinc/76/80/96/192768096.db2.gz LWFUIRAHOVVXCA-JTQLQIEISA-N 1 0 318.259 2.302 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH2+]C)[C@@H]2CCCO2)c1Br ZINC000089329021 192768643 /nfs/dbraw/zinc/76/86/43/192768643.db2.gz DBBOZQOAARAGPW-JQWIXIFHSA-N 1 0 316.243 2.055 10 0 DEAERO CCc1nn(CC)c(COC[C@@H]2CC[NH2+]C2)c1Br ZINC000089351196 192772027 /nfs/dbraw/zinc/77/20/27/192772027.db2.gz GMZTTWJLHVRKCY-SNVBAGLBSA-N 1 0 316.243 2.354 10 0 DEAERO Cn1ccc(C[NH2+][C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)c1 ZINC000276358735 212826915 /nfs/dbraw/zinc/82/69/15/212826915.db2.gz YBSBNCPIQIKFFN-LSDHHAIUSA-N 1 0 317.437 2.118 10 0 DEAERO Cc1ccc2ncnc(N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)c2c1 ZINC000186812311 200015251 /nfs/dbraw/zinc/01/52/51/200015251.db2.gz TYGSKZROYKVXDI-CQSZACIVSA-N 1 0 314.433 2.220 10 0 DEAERO CCOc1ccccc1C(F)(F)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000186898643 200028853 /nfs/dbraw/zinc/02/88/53/200028853.db2.gz WEXWBOPNPWUOPY-SCRDCRAPSA-N 1 0 324.371 2.373 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc(F)ccc2OC)C1 ZINC000187071764 200057070 /nfs/dbraw/zinc/05/70/70/200057070.db2.gz GASVNISHZAKLSB-CYBMUJFWSA-N 1 0 323.412 2.365 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc3nc(C)ccc3c2)CC1 ZINC000187386281 200105382 /nfs/dbraw/zinc/10/53/82/200105382.db2.gz IROKIMYRHVDNSK-SFHVURJKSA-N 1 0 313.445 2.432 10 0 DEAERO Cc1nccnc1[C@@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000187795942 200157589 /nfs/dbraw/zinc/15/75/89/200157589.db2.gz DXBDMFAUKWNXHS-OAHLLOKOSA-N 1 0 311.433 2.495 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000187923925 200177535 /nfs/dbraw/zinc/17/75/35/200177535.db2.gz FRTGOALJEYEQDQ-KDOFPFPSSA-N 1 0 322.424 2.267 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000187923949 200177593 /nfs/dbraw/zinc/17/75/93/200177593.db2.gz FRTGOALJEYEQDQ-KSSFIOAISA-N 1 0 322.424 2.267 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000187931625 200178255 /nfs/dbraw/zinc/17/82/55/200178255.db2.gz NEDCAVJGVMHBLY-XHDPSFHLSA-N 1 0 311.813 2.156 10 0 DEAERO O=C(Cc1cc(Cl)ccc1Br)N1CC[NH2+]CC1 ZINC000237720512 202337739 /nfs/dbraw/zinc/33/77/39/202337739.db2.gz PSNFDQHZXCWYOW-UHFFFAOYSA-N 1 0 317.614 2.077 10 0 DEAERO C[C@@H]([C@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2)C1CCCCC1 ZINC000188638091 200278546 /nfs/dbraw/zinc/27/85/46/200278546.db2.gz BWMNUKSAZRELOF-RYUDHWBXSA-N 1 0 304.438 2.390 10 0 DEAERO CCc1ccccc1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000188955231 200327596 /nfs/dbraw/zinc/32/75/96/200327596.db2.gz NCUOTOWZMDJRJB-UHFFFAOYSA-N 1 0 322.416 2.009 10 0 DEAERO COC(=O)CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000188965212 200328044 /nfs/dbraw/zinc/32/80/44/200328044.db2.gz QLVIGIIABPHVMA-QAPCUYQASA-N 1 0 318.417 2.281 10 0 DEAERO COc1ccc(F)cc1C[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000189202925 200363564 /nfs/dbraw/zinc/36/35/64/200363564.db2.gz WLIMURNMYQSNHL-UHFFFAOYSA-N 1 0 309.385 2.070 10 0 DEAERO Cn1cc(-c2cc(C[NH+]3CCC([C@@H]4CCCO4)CC3)on2)cn1 ZINC000189217552 200365614 /nfs/dbraw/zinc/36/56/14/200365614.db2.gz KOBWBWISXULGLO-KRWDZBQOSA-N 1 0 316.405 2.466 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)cc1NC(C)=O ZINC000189275519 200373680 /nfs/dbraw/zinc/37/36/80/200373680.db2.gz CVTIDEPENAQLKA-WHOFXGATSA-N 1 0 306.406 2.465 10 0 DEAERO CCOC[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000189363986 200387500 /nfs/dbraw/zinc/38/75/00/200387500.db2.gz AFNRKVSPOYBUBP-IUODEOHRSA-N 1 0 314.451 2.046 10 0 DEAERO COc1cccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c1 ZINC000189333665 200384038 /nfs/dbraw/zinc/38/40/38/200384038.db2.gz PZTNUCIBQKIXBL-BBRMVZONSA-N 1 0 306.406 2.381 10 0 DEAERO COC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000601832175 360167054 /nfs/dbraw/zinc/16/70/54/360167054.db2.gz XIKJXZOJDUMILU-HNNXBMFYSA-N 1 0 307.390 2.167 10 0 DEAERO CCSCC[C@@H](C)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602457887 360382911 /nfs/dbraw/zinc/38/29/11/360382911.db2.gz JIRGVGRCMSDVPQ-GDBMZVCRSA-N 1 0 323.506 2.094 10 0 DEAERO O=C(Nc1ccc2nccn2c1)N1CC[NH+](C2CCCC2)CC1 ZINC000606582222 361022816 /nfs/dbraw/zinc/02/28/16/361022816.db2.gz HMCUWAQBLZOPGL-UHFFFAOYSA-N 1 0 313.405 2.426 10 0 DEAERO Cc1ncc(CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)s1 ZINC000444980156 238378093 /nfs/dbraw/zinc/37/80/93/238378093.db2.gz AYCZAXXTIIKWNZ-UHFFFAOYSA-N 1 0 310.467 2.373 10 0 DEAERO Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c(C)[nH]1 ZINC000607837289 361116595 /nfs/dbraw/zinc/11/65/95/361116595.db2.gz FBBHYULPPOLNRV-UHFFFAOYSA-N 1 0 314.389 2.044 10 0 DEAERO CN(C(=O)c1ccc2c(c1)NC(=O)C2(C)C)C1CC[NH+](C)CC1 ZINC000292816328 223258708 /nfs/dbraw/zinc/25/87/08/223258708.db2.gz XORGCHILPXCLIW-UHFFFAOYSA-N 1 0 315.417 2.083 10 0 DEAERO CSc1ccccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000193271886 201017955 /nfs/dbraw/zinc/01/79/55/201017955.db2.gz GNDUWHZSVROANS-GFCCVEGCSA-N 1 0 314.476 2.077 10 0 DEAERO C[C@H]([NH3+])CCC(=O)/N=c1/sccn1Cc1ccccc1F ZINC000193289923 201021312 /nfs/dbraw/zinc/02/13/12/201021312.db2.gz VPSCBOYVFLOENR-IRPICPOESA-N 1 0 307.394 2.292 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000194733172 283658589 /nfs/dbraw/zinc/65/85/89/283658589.db2.gz XWORIDKGLKDIKV-IXDOHACOSA-N 1 0 302.418 2.365 10 0 DEAERO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)s1 ZINC000193600045 201083508 /nfs/dbraw/zinc/08/35/08/201083508.db2.gz MAOAXOPLDKHKMD-RCOVLWMOSA-N 1 0 307.341 2.085 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000193733217 201113903 /nfs/dbraw/zinc/11/39/03/201113903.db2.gz IUMDUNBYTRKCBZ-UHFFFAOYSA-N 1 0 323.824 2.140 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CC)Cc1cccc(Cl)c1 ZINC000090490126 192923913 /nfs/dbraw/zinc/92/39/13/192923913.db2.gz NWVQKKBZZFKTIC-LSDHHAIUSA-N 1 0 310.825 2.313 10 0 DEAERO CC[NH+](CC)CCSCC(=O)NC[C@H](C)c1ccncc1 ZINC000610526403 361417141 /nfs/dbraw/zinc/41/71/41/361417141.db2.gz MAASABOVSJCNOP-AWEZNQCLSA-N 1 0 309.479 2.376 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000611668756 361655202 /nfs/dbraw/zinc/65/52/02/361655202.db2.gz QQOQFPALOBGAGW-DLBZAZTESA-N 1 0 302.418 2.144 10 0 DEAERO Cc1ncc(Br)c(=O)n1CC[NH2+]C1CCCCC1 ZINC000090768925 192931612 /nfs/dbraw/zinc/93/16/12/192931612.db2.gz RRXQOPHFOFYJIO-UHFFFAOYSA-N 1 0 314.227 2.237 10 0 DEAERO COC(=O)c1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)s1 ZINC000619451625 363799893 /nfs/dbraw/zinc/79/98/93/363799893.db2.gz FLOTWCRUDCUWAH-UHFFFAOYSA-N 1 0 322.430 2.281 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1Cc2cc(Br)ccc2O1)C1CC1 ZINC000090904782 192943125 /nfs/dbraw/zinc/94/31/25/192943125.db2.gz DWXBHPQKNACFLJ-QWHCGFSZSA-N 1 0 312.207 2.113 10 0 DEAERO Cc1nn(C)cc1CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000448710621 239555433 /nfs/dbraw/zinc/55/54/33/239555433.db2.gz VIGMQFYTZWQANL-CQSZACIVSA-N 1 0 306.454 2.042 10 0 DEAERO COc1ccccc1-c1noc(-c2csc(CC[NH3+])n2)n1 ZINC000090938686 192957401 /nfs/dbraw/zinc/95/74/01/192957401.db2.gz BUYRUIWXEMMXOI-UHFFFAOYSA-N 1 0 302.359 2.370 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)c2ccccc21 ZINC000621761834 364538280 /nfs/dbraw/zinc/53/82/80/364538280.db2.gz OGKQVVYIYMXDEE-DZGCQCFKSA-N 1 0 310.401 2.355 10 0 DEAERO CCOC(=O)c1cc(C[NH2+]CCc2cccc(OC)n2)[nH]c1C ZINC000449193667 240169894 /nfs/dbraw/zinc/16/98/94/240169894.db2.gz WLVNOUDAGNVDEO-UHFFFAOYSA-N 1 0 317.389 2.236 10 0 DEAERO c1ncn(-c2ccc(C[NH2+]C[C@@H]3Cc4ccccc4CO3)cc2)n1 ZINC000623601966 365096256 /nfs/dbraw/zinc/09/62/56/365096256.db2.gz XRTJROKEOJJBBH-IBGZPJMESA-N 1 0 320.396 2.498 10 0 DEAERO COc1ccccc1[C@@H](C)N(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000091136087 193000957 /nfs/dbraw/zinc/00/09/57/193000957.db2.gz WUCUPCYSYPIWGI-OLZOCXBDSA-N 1 0 308.447 2.310 10 0 DEAERO CN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000091233209 193024651 /nfs/dbraw/zinc/02/46/51/193024651.db2.gz XZHICHZHPQQISG-UHFFFAOYSA-N 1 0 302.422 2.492 10 0 DEAERO CCN(CC)C(=O)C[C@H](C[NH3+])N(C)Cc1cccc(Cl)c1 ZINC000091322725 193040744 /nfs/dbraw/zinc/04/07/44/193040744.db2.gz QORVQYZDAMBMDL-OAHLLOKOSA-N 1 0 311.857 2.358 10 0 DEAERO Cc1nn(C)c(C[C@](C[NH3+])(c2ccccc2)[C@@H](C)O)c1Cl ZINC000091327737 193041963 /nfs/dbraw/zinc/04/19/63/193041963.db2.gz GURJADZAYBJHOF-MLGOLLRUSA-N 1 0 307.825 2.202 10 0 DEAERO COc1cc(C[NH2+]C2CC(O)C2)cc(Br)c1OC ZINC000091430517 193054716 /nfs/dbraw/zinc/05/47/16/193054716.db2.gz VYDHCJSMEIGQMO-UHFFFAOYSA-N 1 0 316.195 2.079 10 0 DEAERO CC[C@](C)([C@@H](CCCS(C)(=O)=O)[NH2+]C)N1CCCCC1 ZINC000091609938 193079892 /nfs/dbraw/zinc/07/98/92/193079892.db2.gz VRQVXNLNWWKYJV-HUUCEWRRSA-N 1 0 304.500 2.054 10 0 DEAERO CC[C@@](C)([C@@H](O)Cc1c(Br)c(C)nn1C)[NH+](C)C ZINC000091569494 193074385 /nfs/dbraw/zinc/07/43/85/193074385.db2.gz ARJDBEGWPYODDW-AAEUAGOBSA-N 1 0 318.259 2.125 10 0 DEAERO CN(CC1CC(O)C1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000091464236 193059567 /nfs/dbraw/zinc/05/95/67/193059567.db2.gz KPLIRLVIEAODPZ-DBRPNBKGSA-N 1 0 313.239 2.152 10 0 DEAERO Cc1cc([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)ccc1Br ZINC000091474289 193061071 /nfs/dbraw/zinc/06/10/71/193061071.db2.gz GHIDKBRZSYKJKC-JQWIXIFHSA-N 1 0 318.236 2.192 10 0 DEAERO CN(CC1CC([NH3+])C1)C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000091477059 193062496 /nfs/dbraw/zinc/06/24/96/193062496.db2.gz FRULPAAMNJXGEX-UHFFFAOYSA-N 1 0 308.250 2.191 10 0 DEAERO CC(C)[C@@H](NC(=O)C[N@H+](C)CC1CC(O)C1)c1cccs1 ZINC000091489513 193063123 /nfs/dbraw/zinc/06/31/23/193063123.db2.gz BWGILAALMGTYTQ-SEEARECTSA-N 1 0 310.463 2.264 10 0 DEAERO CSC1(C(N)=S)CC[NH+](CCOC(F)(F)F)CC1 ZINC000091487842 193063187 /nfs/dbraw/zinc/06/31/87/193063187.db2.gz ZOIBPDFEFRISBB-UHFFFAOYSA-N 1 0 302.387 2.007 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+]C(C3CC3)C3CC3)C2)ccn1 ZINC000624265091 365360967 /nfs/dbraw/zinc/36/09/67/365360967.db2.gz MWRRXOWVSCZEST-QGZVFWFLSA-N 1 0 301.434 2.061 10 0 DEAERO O=C1N(Cc2c(Cl)cccc2Cl)C[C@H]2C[NH2+]CCN12 ZINC000091750824 193102084 /nfs/dbraw/zinc/10/20/84/193102084.db2.gz DLIUFULUOVCQKK-SECBINFHSA-N 1 0 300.189 2.203 10 0 DEAERO CC[NH2+][C@H](c1ccn(CC(=O)NCC(F)(F)F)c1)C1CC1 ZINC000091838407 193115044 /nfs/dbraw/zinc/11/50/44/193115044.db2.gz NHNQGULONRGAHL-ZDUSSCGKSA-N 1 0 303.328 2.227 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C)cc1Cl ZINC000624391812 365407466 /nfs/dbraw/zinc/40/74/66/365407466.db2.gz DJWWYYWNEFEARW-NWDGAFQWSA-N 1 0 302.827 2.067 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)CCc1ccccc1 ZINC000091850625 193117581 /nfs/dbraw/zinc/11/75/81/193117581.db2.gz WLNXRUBTIBBWRQ-UHFFFAOYSA-N 1 0 310.463 2.151 10 0 DEAERO C[NH2+]C1CCC(NC(=O)c2ccc(Br)o2)CC1 ZINC000091871898 193120851 /nfs/dbraw/zinc/12/08/51/193120851.db2.gz ZBAYGWUCMVNVBY-UHFFFAOYSA-N 1 0 301.184 2.303 10 0 DEAERO CC[NH2+]C1CCC(N(C)S(=O)(=O)c2ccccc2F)CC1 ZINC000091869886 193121022 /nfs/dbraw/zinc/12/10/22/193121022.db2.gz HVZMPJXKDZSTFG-UHFFFAOYSA-N 1 0 314.426 2.367 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000091869994 193121179 /nfs/dbraw/zinc/12/11/79/193121179.db2.gz NABOWUOIHYTEOJ-UHFFFAOYSA-N 1 0 310.463 2.455 10 0 DEAERO C[C@@H]1CC[C@@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C[NH2+]1 ZINC000624407016 365413459 /nfs/dbraw/zinc/41/34/59/365413459.db2.gz RGSYOJGKTRSFGD-RKDXNWHRSA-N 1 0 323.245 2.412 10 0 DEAERO CC(C)(C[NH3+])[C@H](O)c1cc2c(c(Br)c1)OCO2 ZINC000091909221 193124569 /nfs/dbraw/zinc/12/45/69/193124569.db2.gz GXHONXJMQCVMCB-LLVKDONJSA-N 1 0 302.168 2.196 10 0 DEAERO C[C@](O)(c1cccc(Br)c1)[C@]1(C[NH3+])CCOC1 ZINC000091905853 193124579 /nfs/dbraw/zinc/12/45/79/193124579.db2.gz SSPCGDRENFCMKS-STQMWFEESA-N 1 0 300.196 2.022 10 0 DEAERO Cc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000092044764 193145118 /nfs/dbraw/zinc/14/51/18/193145118.db2.gz GDUFIUVNWMTZCH-AWEZNQCLSA-N 1 0 314.476 2.056 10 0 DEAERO CCOC[C@@H](C)[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092049816 193147918 /nfs/dbraw/zinc/14/79/18/193147918.db2.gz SGRNDWDOIHSVLF-SECBINFHSA-N 1 0 313.199 2.006 10 0 DEAERO COc1cc(C)c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1OC ZINC000449722104 240978575 /nfs/dbraw/zinc/97/85/75/240978575.db2.gz CYPKVGRZIZYLAH-LBPRGKRZSA-N 1 0 320.311 2.022 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000328861357 299363083 /nfs/dbraw/zinc/36/30/83/299363083.db2.gz ARWLBJJDZYVCNF-BFTSITSZSA-N 1 0 321.465 2.367 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000629587063 367265239 /nfs/dbraw/zinc/26/52/39/367265239.db2.gz XITNOEGUMKAJLY-NVXWUHKLSA-N 1 0 321.417 2.035 10 0 DEAERO CO[C@H]1CN(Cc2ccc(Br)s2)[C@@](C)(C[NH3+])C1 ZINC000630366567 367613095 /nfs/dbraw/zinc/61/30/95/367613095.db2.gz XYTJATZUKLBEQT-BXKDBHETSA-N 1 0 319.268 2.449 10 0 DEAERO c1nc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c(C2CC2)o1 ZINC000293093017 223392802 /nfs/dbraw/zinc/39/28/02/223392802.db2.gz FDDUUIXPAVIPJL-WDEREUQCSA-N 1 0 302.334 2.138 10 0 DEAERO C[NH2+]Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092113520 193161032 /nfs/dbraw/zinc/16/10/32/193161032.db2.gz XIRHDGPGQNHHOD-QWRGUYRKSA-N 1 0 316.854 2.336 10 0 DEAERO C[NH2+]Cc1cc(F)c(C)c(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092113969 193161079 /nfs/dbraw/zinc/16/10/79/193161079.db2.gz SZQBFOIMIMJARL-PHIMTYICSA-N 1 0 314.426 2.130 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CC)c(F)c1 ZINC000092115745 193163295 /nfs/dbraw/zinc/16/32/95/193163295.db2.gz TYKMQVXOBNJYKF-ZDUSSCGKSA-N 1 0 314.426 2.498 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)CC)c(F)c1 ZINC000092115797 193163485 /nfs/dbraw/zinc/16/34/85/193163485.db2.gz VJELWCQPKSWSOQ-LLVKDONJSA-N 1 0 302.415 2.402 10 0 DEAERO CCCC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092116055 193164396 /nfs/dbraw/zinc/16/43/96/193164396.db2.gz PCPXYSFGCUHLNL-LLVKDONJSA-N 1 0 302.415 2.402 10 0 DEAERO c1c(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)nnn1C[C@H]1CCOC1 ZINC000631162432 368053531 /nfs/dbraw/zinc/05/35/31/368053531.db2.gz VYOJPBQABWJAKS-UKPHBRMFSA-N 1 0 304.438 2.231 10 0 DEAERO c1c(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)nnn1C[C@H]1CCOC1 ZINC000631165572 368056851 /nfs/dbraw/zinc/05/68/51/368056851.db2.gz NWKOKQDUKWNBHK-QGPMSJSTSA-N 1 0 312.417 2.208 10 0 DEAERO Oc1cccc(C[NH2+]CC[C@H](O)C(F)F)c1Br ZINC000631216124 368085345 /nfs/dbraw/zinc/08/53/45/368085345.db2.gz KGACUVFYZXQVKH-VIFPVBQESA-N 1 0 310.138 2.260 10 0 DEAERO CN(Cc1cc(Br)cs1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092205170 193172973 /nfs/dbraw/zinc/17/29/73/193172973.db2.gz VQYXDLLRSXNTAO-SCZZXKLOSA-N 1 0 315.236 2.372 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092208434 193173725 /nfs/dbraw/zinc/17/37/25/193173725.db2.gz CPBLIMZJGBKWQM-IUCAKERBSA-N 1 0 311.179 2.300 10 0 DEAERO CN(Cc1cccc(Br)c1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092205822 193172754 /nfs/dbraw/zinc/17/27/54/193172754.db2.gz TWJUGKPFIQQFAT-AAEUAGOBSA-N 1 0 309.207 2.311 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000451496402 243026248 /nfs/dbraw/zinc/02/62/48/243026248.db2.gz LYEDPPDQGHNOAF-SOLBZPMBSA-N 1 0 305.418 2.300 10 0 DEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCO3)C1(C)C ZINC000451502440 243041778 /nfs/dbraw/zinc/04/17/78/243041778.db2.gz PNUXXAMAXMINKR-HPEXNQPKSA-N 1 0 320.389 2.003 10 0 DEAERO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccsc2)C1 ZINC000631998295 368486749 /nfs/dbraw/zinc/48/67/49/368486749.db2.gz WZVQDEJRMRTSON-LLVKDONJSA-N 1 0 308.428 2.074 10 0 DEAERO CC(C)c1nc(N2CCN(CC(F)(F)F)CC2)sc1C[NH3+] ZINC000093000260 193192406 /nfs/dbraw/zinc/19/24/06/193192406.db2.gz BKLFVUZOXGXHSM-UHFFFAOYSA-N 1 0 322.400 2.410 10 0 DEAERO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000093012068 193193106 /nfs/dbraw/zinc/19/31/06/193193106.db2.gz KALHRPXHGSBXTQ-QGZVFWFLSA-N 1 0 304.434 2.382 10 0 DEAERO CC(C)(Cc1ccccc1Cl)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261709022 203098720 /nfs/dbraw/zinc/09/87/20/203098720.db2.gz BTFIFXAEZGFPFV-OCCSQVGLSA-N 1 0 310.825 2.284 10 0 DEAERO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1nc2c(cccc2F)o1 ZINC000582157252 335012575 /nfs/dbraw/zinc/01/25/75/335012575.db2.gz XPTXDGHGHDGIHF-LLVKDONJSA-N 1 0 307.369 2.248 10 0 DEAERO CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000261851805 203134994 /nfs/dbraw/zinc/13/49/94/203134994.db2.gz RNNXMKVJRNQFSS-WQVCFCJDSA-N 1 0 306.406 2.157 10 0 DEAERO CN1CCN(C(=O)CC2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000093142277 193207350 /nfs/dbraw/zinc/20/73/50/193207350.db2.gz SVRMGPHBYQTHRB-SFHVURJKSA-N 1 0 319.493 2.219 10 0 DEAERO O=C(C[C@H]1COCC[NH2+]1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000262357095 203272514 /nfs/dbraw/zinc/27/25/14/203272514.db2.gz GVXJTWOGFIYLEU-JKSUJKDBSA-N 1 0 306.381 2.258 10 0 DEAERO CC[C@@H](C)Oc1cc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)ccn1 ZINC000262356606 203272650 /nfs/dbraw/zinc/27/26/50/203272650.db2.gz IBFOPVTVXPPBDQ-GUTXKFCHSA-N 1 0 305.422 2.263 10 0 DEAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1cccc(Cl)c1 ZINC000262380734 203278567 /nfs/dbraw/zinc/27/85/67/203278567.db2.gz LLWKKSGHYAUJTG-UHFFFAOYSA-N 1 0 319.796 2.188 10 0 DEAERO CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262452984 203299011 /nfs/dbraw/zinc/29/90/11/203299011.db2.gz ZTLJTKUHEOTMFT-ZWUHOBOKSA-N 1 0 308.397 2.406 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1O[C@H]1CCC[C@@H]([NH3+])C1 ZINC000093219732 193218229 /nfs/dbraw/zinc/21/82/29/193218229.db2.gz POPOXSLJIKUPJD-OLZOCXBDSA-N 1 0 312.435 2.022 10 0 DEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(OC)c(C[NH3+])c1 ZINC000093265710 193222360 /nfs/dbraw/zinc/22/23/60/193222360.db2.gz SHQIIRWFNCEAJH-LBPRGKRZSA-N 1 0 314.451 2.211 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Cl)c(CC)nn1CC)C(OC)OC ZINC000093305315 193227439 /nfs/dbraw/zinc/22/74/39/193227439.db2.gz ZQZLUDNBUCQKSQ-NSHDSACASA-N 1 0 303.834 2.258 10 0 DEAERO CCC[NH2+][C@H](Cc1c(Cl)c(CC)nn1C)C(OC)OC ZINC000093305490 193227674 /nfs/dbraw/zinc/22/76/74/193227674.db2.gz ZIKXBKMSGMWFNP-LLVKDONJSA-N 1 0 303.834 2.166 10 0 DEAERO CCOC(OCC)[C@H](Cc1c(Cl)c(CC)nn1C)[NH2+]C ZINC000093306795 193228114 /nfs/dbraw/zinc/22/81/14/193228114.db2.gz KEYQXKVOBCPKSL-NSHDSACASA-N 1 0 303.834 2.166 10 0 DEAERO [NH2+]=C1NC[C@@]2(CCSc3ccccc32)N1C[C@H]1CCCO1 ZINC000093377605 193240428 /nfs/dbraw/zinc/24/04/28/193240428.db2.gz DPDWWJVLIAINNM-MLGOLLRUSA-N 1 0 303.431 2.187 10 0 DEAERO COc1cc(C[N@H+](C)CC2CCOCC2)cc2c1OCCO2 ZINC000093284522 193224953 /nfs/dbraw/zinc/22/49/53/193224953.db2.gz IYHXBQIRSCZSOP-UHFFFAOYSA-N 1 0 307.390 2.325 10 0 DEAERO CN(CCc1cccs1)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000093292215 193225308 /nfs/dbraw/zinc/22/53/08/193225308.db2.gz MPXQWZGFIKIQGR-UHFFFAOYSA-N 1 0 310.444 2.070 10 0 DEAERO CC(C)[NH2+]Cc1c[nH]nc1-c1ccc(S(C)(=O)=O)c(F)c1 ZINC000093296058 193226472 /nfs/dbraw/zinc/22/64/72/193226472.db2.gz KVHCFNONDAPQBH-UHFFFAOYSA-N 1 0 311.382 2.117 10 0 DEAERO C[NH+](C)CC1CCN(c2ncc(N)cc2Br)CC1 ZINC000093432907 193250393 /nfs/dbraw/zinc/25/03/93/193250393.db2.gz GJFQPSNYHMKZCK-UHFFFAOYSA-N 1 0 313.243 2.204 10 0 DEAERO Cc1cc(N[C@H](C)C[C@@H]2CCC[NH2+]2)ccc1NS(C)(=O)=O ZINC000093464646 193255989 /nfs/dbraw/zinc/25/59/89/193255989.db2.gz KSHYLSPHFCRREB-OLZOCXBDSA-N 1 0 311.451 2.309 10 0 DEAERO [NH2+]=C1NC[C@@H](c2ccc(Br)cc2)N1C[C@H]1CCCO1 ZINC000093378257 193241098 /nfs/dbraw/zinc/24/10/98/193241098.db2.gz YNBFELDBRTVAFA-OLZOCXBDSA-N 1 0 324.222 2.300 10 0 DEAERO NC1=[NH+]C[C@H]([C@H]2CCCOC2)N1c1ccc(Br)cc1 ZINC000093386528 193241612 /nfs/dbraw/zinc/24/16/12/193241612.db2.gz YXCBQNYAODDTNE-GXFFZTMASA-N 1 0 324.222 2.379 10 0 DEAERO C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525775 193264337 /nfs/dbraw/zinc/26/43/37/193264337.db2.gz ULTRSPJZMRHSBF-DZGCQCFKSA-N 1 0 316.511 2.052 10 0 DEAERO Cc1nnc(SCC[C@H]2CCC[C@@]2(CO)[NH2+]C(C)C)n1C ZINC000093622292 193275049 /nfs/dbraw/zinc/27/50/49/193275049.db2.gz KFQSWBCBNRTNFR-HIFRSBDPSA-N 1 0 312.483 2.135 10 0 DEAERO Cc1nn(CC[C@H]2CCC[C@@]2([NH2+]C(C)C)C(N)=O)cc1Cl ZINC000093615999 193275228 /nfs/dbraw/zinc/27/52/28/193275228.db2.gz LLHYFNUGVHPPQK-DOMZBBRYSA-N 1 0 312.845 2.257 10 0 DEAERO Cc1nn(CC[C@H]2CCC[C@@]2([NH2+]C2CC2)C(N)=O)cc1Cl ZINC000093616003 193275765 /nfs/dbraw/zinc/27/57/65/193275765.db2.gz PBRXMDQJICFIGG-ABAIWWIYSA-N 1 0 310.829 2.011 10 0 DEAERO CC[NH2+][C@H](Cc1c(Br)c(C)nn1C)[C@H](C)OC ZINC000093691097 193291043 /nfs/dbraw/zinc/29/10/43/193291043.db2.gz HMQKZKSERYAECV-VHSXEESVSA-N 1 0 304.232 2.047 10 0 DEAERO CCC1CCC(C[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093696417 193291580 /nfs/dbraw/zinc/29/15/80/193291580.db2.gz BRVNQCUQNWEIRL-GPANFISMSA-N 1 0 316.511 2.464 10 0 DEAERO C[C@H]1CC([NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H](C)C1 ZINC000093697044 193291643 /nfs/dbraw/zinc/29/16/43/193291643.db2.gz NOBREMYMIYKVHC-MCIONIFRSA-N 1 0 302.484 2.072 10 0 DEAERO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696615 193291736 /nfs/dbraw/zinc/29/17/36/193291736.db2.gz SAJOXAPIMVFICZ-HUUCEWRRSA-N 1 0 310.463 2.317 10 0 DEAERO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696613 193292051 /nfs/dbraw/zinc/29/20/51/193292051.db2.gz SAJOXAPIMVFICZ-CABCVRRESA-N 1 0 310.463 2.317 10 0 DEAERO CC[C@]([NH3+])(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093699189 193293205 /nfs/dbraw/zinc/29/32/05/193293205.db2.gz NQEMPNKWPYHCRQ-HOCLYGCPSA-N 1 0 310.463 2.312 10 0 DEAERO C[C@]([NH3+])(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000093699167 193293387 /nfs/dbraw/zinc/29/33/87/193293387.db2.gz JKKREHIDRYCDDW-WFASDCNBSA-N 1 0 314.426 2.061 10 0 DEAERO CCCSC[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)[NH2+]CC ZINC000093700444 193293848 /nfs/dbraw/zinc/29/38/48/193293848.db2.gz FVXGIOAJGRVIMY-KGLIPLIRSA-N 1 0 322.540 2.169 10 0 DEAERO CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093699951 193293972 /nfs/dbraw/zinc/29/39/72/193293972.db2.gz UZEHOGXLHDFLJQ-HOCLYGCPSA-N 1 0 310.463 2.399 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000093699788 193294020 /nfs/dbraw/zinc/29/40/20/193294020.db2.gz JJQJFESRISJEJW-SWLSCSKDSA-N 1 0 314.426 2.148 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[C@]2(C3CC3)CCCCC[NH2+]2)C1 ZINC000093700785 193294983 /nfs/dbraw/zinc/29/49/83/193294983.db2.gz ODDAHPZFFDVGCS-ZBFHGGJFSA-N 1 0 314.495 2.361 10 0 DEAERO CC(C)[C@H](C[NH2+]C1CC1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701407 193295014 /nfs/dbraw/zinc/29/50/14/193295014.db2.gz ZZXSSEGPOGIDBR-KBPBESRZSA-N 1 0 302.484 2.072 10 0 DEAERO CC[NH2+][C@@H](CCC[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093702271 193295390 /nfs/dbraw/zinc/29/53/90/193295390.db2.gz LYLMWZCTCSOQMW-CABCVRRESA-N 1 0 304.500 2.462 10 0 DEAERO C[NH2+][C@]1(C(=O)[O-])CCC[C@@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093756646 193300985 /nfs/dbraw/zinc/30/09/85/193300985.db2.gz SOTYKRABVNOFQP-DMDPSCGWSA-N 1 0 308.344 2.246 10 0 DEAERO C[NH2+][C@@]1(CO)CCC[C@H](n2nc(C)c(Br)c2C)C1 ZINC000093783892 193307686 /nfs/dbraw/zinc/30/76/86/193307686.db2.gz AVJHFLKLDDAGSS-AAEUAGOBSA-N 1 0 316.243 2.328 10 0 DEAERO Cc1ccc(S(=O)(=O)NC2C(C)(C)C([NH3+])C2(C)C)s1 ZINC000094006515 193338314 /nfs/dbraw/zinc/33/83/14/193338314.db2.gz VTWLUALZOBUVBF-UHFFFAOYSA-N 1 0 302.465 2.097 10 0 DEAERO CC(C)[NH2+][C@]1(C(N)=O)CC[C@H](N(CC(F)(F)F)C(C)C)C1 ZINC000093826238 193312698 /nfs/dbraw/zinc/31/26/98/193312698.db2.gz RVVDAKLZZZFQGD-WCQYABFASA-N 1 0 309.376 2.034 10 0 DEAERO CC(C)[C@H](CO)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000094010571 193338654 /nfs/dbraw/zinc/33/86/54/193338654.db2.gz HAVXTGNEKWDMAE-AWEZNQCLSA-N 1 0 300.443 2.240 10 0 DEAERO NC(=O)[C@@]1([NH3+])CC[C@H](Sc2ccccc2Br)C1 ZINC000093849006 193317705 /nfs/dbraw/zinc/31/77/05/193317705.db2.gz MYDLRLCXMAGURA-QPUJVOFHSA-N 1 0 315.236 2.277 10 0 DEAERO C[NH+](C)C(C)(C)COc1ncc(Br)cc1CO ZINC000093955316 193331742 /nfs/dbraw/zinc/33/17/42/193331742.db2.gz LGWCEMZRBIHSTE-UHFFFAOYSA-N 1 0 303.200 2.055 10 0 DEAERO CN(CCS(C)(=O)=O)CC1(C[NH2+]C(C)(C)C)CCCCC1 ZINC000094300223 193357673 /nfs/dbraw/zinc/35/76/73/193357673.db2.gz ITRSREUJJCQRKX-UHFFFAOYSA-N 1 0 318.527 2.301 10 0 DEAERO CCC[C@](C)(C[NH2+]C(C)(C)C)CN(C)CCS(C)(=O)=O ZINC000094300231 193357861 /nfs/dbraw/zinc/35/78/61/193357861.db2.gz ZHKDSJLSOKFHHH-OAHLLOKOSA-N 1 0 306.516 2.157 10 0 DEAERO CC[NH2+][C@@H](CCN(C)CCS(C)(=O)=O)c1ccccc1C ZINC000094300392 193358004 /nfs/dbraw/zinc/35/80/04/193358004.db2.gz HOIKHRREAVEYAW-INIZCTEOSA-N 1 0 312.479 2.012 10 0 DEAERO CCC[NH2+][C@@H]1[C@@H](CN(C)CCS(C)(=O)=O)CCCC1(C)C ZINC000094300555 193358641 /nfs/dbraw/zinc/35/86/41/193358641.db2.gz RLYZCRAWSLZNAV-HUUCEWRRSA-N 1 0 318.527 2.157 10 0 DEAERO CC1(C)CCCC[C@@H]1NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000094326191 193359294 /nfs/dbraw/zinc/35/92/94/193359294.db2.gz PRISJXHFWGZAPY-HNNXBMFYSA-N 1 0 310.463 2.435 10 0 DEAERO C[N@@H+]1CC[C@@H](CNc2nc(C(F)(F)F)ccc2C(N)=S)C1 ZINC000094335998 193360036 /nfs/dbraw/zinc/36/00/36/193360036.db2.gz FWFNFYZSEQOGTJ-QMMMGPOBSA-N 1 0 318.368 2.098 10 0 DEAERO [NH3+]Cc1ccc(C(F)(F)F)nc1N1CCO[C@@H]2CCC[C@@H]21 ZINC000094334240 193360084 /nfs/dbraw/zinc/36/00/84/193360084.db2.gz SZASFRRNBSNXEG-WDEREUQCSA-N 1 0 301.312 2.317 10 0 DEAERO CCC[NH2+][C@H](C)c1cccc(N2C(=O)C(C)(C)S2(=O)=O)c1 ZINC000094344194 193362496 /nfs/dbraw/zinc/36/24/96/193362496.db2.gz BWBVSVRWVBOICB-LLVKDONJSA-N 1 0 310.419 2.202 10 0 DEAERO C[C@@H](COc1c(F)cc(C[NH2+]C(C)(C)C)cc1F)C(N)=O ZINC000094347787 193363561 /nfs/dbraw/zinc/36/35/61/193363561.db2.gz JMQOVXOGKOMMMZ-VIFPVBQESA-N 1 0 300.349 2.353 10 0 DEAERO CCC[C@@H](C)NC(=O)COc1c(F)cc(CC[NH3+])cc1F ZINC000094349928 193363715 /nfs/dbraw/zinc/36/37/15/193363715.db2.gz HUUOWORAUYHGHM-SNVBAGLBSA-N 1 0 300.349 2.150 10 0 DEAERO NC(=O)c1cc(Cl)ccc1N(CC1CC[NH2+]CC1)C1CC1 ZINC000094044552 193340816 /nfs/dbraw/zinc/34/08/16/193340816.db2.gz CDDZZWZXNHCCJU-UHFFFAOYSA-N 1 0 307.825 2.407 10 0 DEAERO CCN(CC1CC[NH2+]CC1)c1ccccc1S(=O)(=O)CC ZINC000094043599 193340841 /nfs/dbraw/zinc/34/08/41/193340841.db2.gz JWLAUZVUNKZVRZ-UHFFFAOYSA-N 1 0 310.463 2.306 10 0 DEAERO Brc1cnc(N(CC2CC[NH2+]CC2)C2CC2)nc1 ZINC000094044751 193341109 /nfs/dbraw/zinc/34/11/09/193341109.db2.gz KSBYOORYBXCNPH-UHFFFAOYSA-N 1 0 311.227 2.208 10 0 DEAERO CCn1c2ccccc2nc1C[C@@](O)([C@@H](C)[NH3+])C(F)(F)F ZINC000094167434 193347373 /nfs/dbraw/zinc/34/73/73/193347373.db2.gz RJOIQKPYNGKCNP-NOZJJQNGSA-N 1 0 301.312 2.239 10 0 DEAERO CC[C@](C)([C@H]([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC000094642915 193388626 /nfs/dbraw/zinc/38/86/26/193388626.db2.gz FLBRMJOAVQHIAK-QKPAOTATSA-N 1 0 316.511 2.182 10 0 DEAERO CCC[NH2+][C@@H]([C@@H](C)OCC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642392 193388628 /nfs/dbraw/zinc/38/86/28/193388628.db2.gz JOXJYUUZESJRBB-KBXIAJHMSA-N 1 0 305.484 2.383 10 0 DEAERO CCC[NH2+][C@H](c1cnccn1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641834 193388787 /nfs/dbraw/zinc/38/87/87/193388787.db2.gz NKAXDFXMYHNOKM-YDHLFZDLSA-N 1 0 311.451 2.121 10 0 DEAERO CC[NH2+][C@H](CCN(CC)CC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642946 193388868 /nfs/dbraw/zinc/38/88/68/193388868.db2.gz NXBNSIOCQYFYBR-OWCLPIDISA-N 1 0 318.527 2.300 10 0 DEAERO COC(=O)C[C@H](NC(=O)[C@H](C[NH3+])CC(C)C)c1cccs1 ZINC000094697887 193391393 /nfs/dbraw/zinc/39/13/93/193391393.db2.gz YYRXMAPNECZSLF-RYUDHWBXSA-N 1 0 312.435 2.090 10 0 DEAERO CC(C)(C[NH2+][C@H]1CCOC2(CCCCC2)C1)S(C)(=O)=O ZINC000094375091 193366649 /nfs/dbraw/zinc/36/66/49/193366649.db2.gz KCPKCZTWGFRBMI-ZDUSSCGKSA-N 1 0 303.468 2.281 10 0 DEAERO CCC[N@H+](CC(N)=S)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094375972 193367337 /nfs/dbraw/zinc/36/73/37/193367337.db2.gz NUUBVFPCVRVHBY-GFCCVEGCSA-N 1 0 302.509 2.429 10 0 DEAERO CC(C)(C)[C@@H]1CN(CCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094421213 193368658 /nfs/dbraw/zinc/36/86/58/193368658.db2.gz RMRZATYPWBHETN-HNNXBMFYSA-N 1 0 310.463 2.056 10 0 DEAERO C[C@@H]1SCCC[C@H]1[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000094481105 193372534 /nfs/dbraw/zinc/37/25/34/193372534.db2.gz ANUKYLWZBVMDQH-NWANDNLSSA-N 1 0 312.479 2.284 10 0 DEAERO CC1(C)CSC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3CCO)C1 ZINC000094488156 193372623 /nfs/dbraw/zinc/37/26/23/193372623.db2.gz VHFAMIXDZQIRNL-GXTWGEPZSA-N 1 0 309.479 2.374 10 0 DEAERO Cc1cc(C(=O)NC[C@H](C)[NH+](C)C)sc1Br ZINC000094494331 193373613 /nfs/dbraw/zinc/37/36/13/193373613.db2.gz VXTNMSHGLVMGEU-QMMMGPOBSA-N 1 0 305.241 2.499 10 0 DEAERO CC[NH2+][C@@H](Cc1ncnn1C(C)C)[C@H]1CSCCS1 ZINC000094497989 193374443 /nfs/dbraw/zinc/37/44/43/193374443.db2.gz ORKAFVXGKRSVOF-NWDGAFQWSA-N 1 0 300.497 2.228 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094510756 193376142 /nfs/dbraw/zinc/37/61/42/193376142.db2.gz CIGLTSIMPSLQMV-IRXDYDNUSA-N 1 0 307.869 2.251 10 0 DEAERO C[NH2+]CCc1cn(Cc2cc(OC)ccc2Br)cn1 ZINC000094529728 193377546 /nfs/dbraw/zinc/37/75/46/193377546.db2.gz XDMXPSOOIYVHDB-UHFFFAOYSA-N 1 0 324.222 2.464 10 0 DEAERO Cc1cc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)sc1Br ZINC000094537348 193378128 /nfs/dbraw/zinc/37/81/28/193378128.db2.gz OMDPJXUQPMDPHX-IUCAKERBSA-N 1 0 315.236 2.110 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2cc(Br)ccc2F)C1 ZINC000094549531 193378892 /nfs/dbraw/zinc/37/88/92/193378892.db2.gz MHGCHLRTQBNVRH-WPRPVWTQSA-N 1 0 315.186 2.398 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2nc3ccc(Cl)cc3s2)O1 ZINC000094562966 193380068 /nfs/dbraw/zinc/38/00/68/193380068.db2.gz PYPLTMBCSRGYJO-WCBMZHEXSA-N 1 0 311.794 2.395 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094562988 193380390 /nfs/dbraw/zinc/38/03/90/193380390.db2.gz XUODSRCPPFWWTQ-PWSUYJOCSA-N 1 0 313.195 2.202 10 0 DEAERO Cc1cc(NC(=O)c2ccc(C[NH3+])o2)ncc1Br ZINC000094573352 193381497 /nfs/dbraw/zinc/38/14/97/193381497.db2.gz LNYKTKOYFGTLGB-UHFFFAOYSA-N 1 0 310.151 2.457 10 0 DEAERO CNc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000094595917 193382291 /nfs/dbraw/zinc/38/22/91/193382291.db2.gz LGVRRQUSNJJTGW-JTQLQIEISA-N 1 0 301.312 2.181 10 0 DEAERO CNc1c(C(=O)N[C@@H]2CC[N@H+](C)C2)cccc1C(F)(F)F ZINC000094598840 193383183 /nfs/dbraw/zinc/38/31/83/193383183.db2.gz IEZOEMSJEFYIBX-SECBINFHSA-N 1 0 301.312 2.181 10 0 DEAERO C[C@H](C[NH+]1CCCC1)Nc1nc2ccc(Br)cn2n1 ZINC000094604218 193384260 /nfs/dbraw/zinc/38/42/60/193384260.db2.gz BZBDOAZHHVRTSE-SNVBAGLBSA-N 1 0 324.226 2.388 10 0 DEAERO [NH3+][C@H]1CCCC[C@@H]1Nc1nc2ccc(Br)cn2n1 ZINC000094607526 193384441 /nfs/dbraw/zinc/38/44/41/193384441.db2.gz HSQFSOSGZMYDRM-UWVGGRQHSA-N 1 0 310.199 2.174 10 0 DEAERO [NH3+]CC[C@H]1CCCCN1c1nc2ccc(Br)cn2n1 ZINC000094608358 193384470 /nfs/dbraw/zinc/38/44/70/193384470.db2.gz PFLRLJCZUUSHOC-LLVKDONJSA-N 1 0 324.226 2.200 10 0 DEAERO [NH3+]CC[C@@H]1CCCCN1c1nc2c(Br)cccn2n1 ZINC000094608367 193384614 /nfs/dbraw/zinc/38/46/14/193384614.db2.gz ZDWPYUIVHFGEMU-JTQLQIEISA-N 1 0 324.226 2.200 10 0 DEAERO COc1ncnc2c1[nH]c(=S)n2[C@@H](C)C[NH+]1CCCCC1 ZINC000094738844 193394587 /nfs/dbraw/zinc/39/45/87/193394587.db2.gz GYPJMYWBYFSDNV-JTQLQIEISA-N 1 0 307.423 2.171 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH3+])[C@@]1(C)CCCO1 ZINC000094782583 193397724 /nfs/dbraw/zinc/39/77/24/193397724.db2.gz BIUIZCAKXHOUJT-WCQYABFASA-N 1 0 316.243 2.413 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])c2cc(C)nnc2C)c1Br ZINC000097278855 193703625 /nfs/dbraw/zinc/70/36/25/193703625.db2.gz GPXODNMKUDZNSL-NSHDSACASA-N 1 0 324.226 2.140 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])CSc1cccc(F)c1 ZINC000097328058 193708656 /nfs/dbraw/zinc/70/86/56/193708656.db2.gz XUFNWQXFMQQMPW-GFCCVEGCSA-N 1 0 305.440 2.460 10 0 DEAERO COC(=O)c1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000266388669 205311339 /nfs/dbraw/zinc/31/13/39/205311339.db2.gz VLBKCWSGUVNSEH-YOGCLGLASA-N 1 0 322.430 2.280 10 0 DEAERO Cn1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1=O ZINC000266435788 205345976 /nfs/dbraw/zinc/34/59/76/205345976.db2.gz VDAPEKRGLKVGRU-ALOPSCKCSA-N 1 0 324.428 2.388 10 0 DEAERO Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000160098560 197385638 /nfs/dbraw/zinc/38/56/38/197385638.db2.gz JZXHYPYFAPUIMF-AWEZNQCLSA-N 1 0 322.453 2.384 10 0 DEAERO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000021007743 182259601 /nfs/dbraw/zinc/25/96/01/182259601.db2.gz KVHHVADQDMVHGE-INIZCTEOSA-N 1 0 302.399 2.111 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000267452356 206077670 /nfs/dbraw/zinc/07/76/70/206077670.db2.gz FQCNBHORNPELGU-INIZCTEOSA-N 1 0 315.417 2.201 10 0 DEAERO CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000267504769 206112479 /nfs/dbraw/zinc/11/24/79/206112479.db2.gz HCJCQKBRHCQDTJ-GOEBONIOSA-N 1 0 318.417 2.209 10 0 DEAERO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000038013949 182963645 /nfs/dbraw/zinc/96/36/45/182963645.db2.gz XNNMALSAPIKDHB-SNVBAGLBSA-N 1 0 312.797 2.463 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1Nc1ccccc1S(=O)(=O)C(F)F ZINC000038050906 182982382 /nfs/dbraw/zinc/98/23/82/182982382.db2.gz VPSPWJDSFLRPDC-VHSXEESVSA-N 1 0 304.362 2.365 10 0 DEAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000038050869 182982687 /nfs/dbraw/zinc/98/26/87/182982687.db2.gz QEDASKXYGJEPLN-NEPJUHHUSA-N 1 0 304.362 2.365 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000040633637 183111885 /nfs/dbraw/zinc/11/18/85/183111885.db2.gz CLFBUXYQEIRTAH-ZANVPECISA-N 1 0 305.765 2.204 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2nc3ccc(Cl)cc3s2)C1 ZINC000040629932 183111141 /nfs/dbraw/zinc/11/11/41/183111141.db2.gz GTHKXZBECWMHFH-WPRPVWTQSA-N 1 0 311.794 2.265 10 0 DEAERO CC(C)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749921 183128613 /nfs/dbraw/zinc/12/86/13/183128613.db2.gz NTPQNXIRLMVKCD-GOOCMWNKSA-N 1 0 308.447 2.453 10 0 DEAERO OC[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(Br)s1 ZINC000041703003 183218328 /nfs/dbraw/zinc/21/83/28/183218328.db2.gz WVBWCCWHGDATHO-IUCAKERBSA-N 1 0 306.225 2.313 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)C[C@@H]1CCC[NH2+]1)CCC2 ZINC000042171643 183238429 /nfs/dbraw/zinc/23/84/29/183238429.db2.gz NPNBKFXDVSRUPK-VIFPVBQESA-N 1 0 308.403 2.104 10 0 DEAERO CCc1nnc(COc2c(Br)cccc2C[NH3+])o1 ZINC000042411403 183265359 /nfs/dbraw/zinc/26/53/59/183265359.db2.gz SVPCXVCLZYUGRT-UHFFFAOYSA-N 1 0 312.167 2.432 10 0 DEAERO CC[NH2+]Cc1cccc(Br)c1OC[C@H](C)C(N)=O ZINC000042411670 183266265 /nfs/dbraw/zinc/26/62/65/183266265.db2.gz ICTOBJOSMVYOFV-VIFPVBQESA-N 1 0 315.211 2.059 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](CN(C)Cc2ccc(Br)cc2)C1 ZINC000042440172 183270198 /nfs/dbraw/zinc/27/01/98/183270198.db2.gz ZJMDRRQQTKJRNZ-KBPBESRZSA-N 1 0 313.239 2.258 10 0 DEAERO COCCN(C)[C@@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000042458584 183272619 /nfs/dbraw/zinc/27/26/19/183272619.db2.gz PYYFHZMBGBTBCC-LBPRGKRZSA-N 1 0 317.227 2.036 10 0 DEAERO CCCN(CC(=O)NC)c1ccc(C(F)(F)F)cc1C[NH3+] ZINC000042403530 183264059 /nfs/dbraw/zinc/26/40/59/183264059.db2.gz OAHZPAFDKRPNEL-UHFFFAOYSA-N 1 0 303.328 2.127 10 0 DEAERO CC(C)CN(CC[NH+](C)C)Cc1ccc(C(N)=S)cc1F ZINC000042766125 183306046 /nfs/dbraw/zinc/30/60/46/183306046.db2.gz KKEBKAXJVVGGJM-UHFFFAOYSA-N 1 0 311.470 2.480 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cn(-c2ccc(C)cc2)nn1 ZINC000042917671 183318027 /nfs/dbraw/zinc/31/80/27/183318027.db2.gz LODKLJWMILUSDY-CQSZACIVSA-N 1 0 315.421 2.036 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(CC(N)=O)C1CCCC1 ZINC000042946609 183321063 /nfs/dbraw/zinc/32/10/63/183321063.db2.gz WRUJCHVBHJWURL-BDJLRTHQSA-N 1 0 309.841 2.458 10 0 DEAERO Cc1cccc([C@H](C[NH3+])Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000042969281 183324467 /nfs/dbraw/zinc/32/44/67/183324467.db2.gz DDJIVHNBPBHCHJ-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000043164923 183342245 /nfs/dbraw/zinc/34/22/45/183342245.db2.gz VTTIPPUSCKCFCZ-INIZCTEOSA-N 1 0 317.433 2.493 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCC(C(=O)NC)CC1 ZINC000043240654 183346014 /nfs/dbraw/zinc/34/60/14/183346014.db2.gz PWZUSQANMRRUOY-HIFRSBDPSA-N 1 0 309.479 2.293 10 0 DEAERO CCC[NH2+][C@H](c1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043301237 183351913 /nfs/dbraw/zinc/35/19/13/183351913.db2.gz MCAYHRALHRHKHE-YGRLFVJLSA-N 1 0 303.374 2.440 10 0 DEAERO C[NH2+][C@@H](c1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000043300632 183352465 /nfs/dbraw/zinc/35/24/65/183352465.db2.gz BNFHYUBZMDNYNK-JOYOIKCWSA-N 1 0 323.336 2.280 10 0 DEAERO Ic1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000043325230 183355536 /nfs/dbraw/zinc/35/55/36/183355536.db2.gz YDODSRRGWDKGIN-NSHDSACASA-N 1 0 302.159 2.455 10 0 DEAERO Cc1ccc([C@@H](Oc2cccc(S(C)(=O)=O)c2)[C@H](C)[NH3+])o1 ZINC000043366998 183357303 /nfs/dbraw/zinc/35/73/03/183357303.db2.gz LTOFSEPSVKDLHS-NHYWBVRUSA-N 1 0 309.387 2.459 10 0 DEAERO CC(C)[C@@H](C)NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000043066827 183333721 /nfs/dbraw/zinc/33/37/21/183333721.db2.gz NMWQUOMXHYVWHL-CQSZACIVSA-N 1 0 307.438 2.471 10 0 DEAERO CCC[NH2+]Cc1ccc(O[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000043479411 183365765 /nfs/dbraw/zinc/36/57/65/183365765.db2.gz HQVXEPDINLOMBD-LBPRGKRZSA-N 1 0 317.838 2.406 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000043486851 183366570 /nfs/dbraw/zinc/36/65/70/183366570.db2.gz GYOQEJTYZMZZSV-CYBMUJFWSA-N 1 0 320.437 2.240 10 0 DEAERO Ic1cccc(OC[C@H]2CCC[NH2+]2)c1 ZINC000043496977 183367460 /nfs/dbraw/zinc/36/74/60/183367460.db2.gz AFZOSKCIQABXRH-SNVBAGLBSA-N 1 0 303.143 2.422 10 0 DEAERO CCN(Cc1ccc(Br)s1)C(=O)CC[NH2+]C ZINC000043604826 183375357 /nfs/dbraw/zinc/37/53/57/183375357.db2.gz UPDAJNKOJFUDRO-UHFFFAOYSA-N 1 0 305.241 2.469 10 0 DEAERO COC(=O)[C@@H](C)Oc1ccc(Br)cc1C[C@H](C)[NH3+] ZINC000043631354 183375790 /nfs/dbraw/zinc/37/57/90/183375790.db2.gz BPTGCVGRHSEFHF-DTWKUNHWSA-N 1 0 316.195 2.279 10 0 DEAERO CCCCCNC(=O)[C@@H](C)[N@H+](CCC(N)=S)CC(C)C ZINC000043418424 183360699 /nfs/dbraw/zinc/36/06/99/183360699.db2.gz YRRBUYXDYYCTHS-CYBMUJFWSA-N 1 0 301.500 2.316 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)C(N)=S)c1ccccc1 ZINC000044829602 183440413 /nfs/dbraw/zinc/44/04/13/183440413.db2.gz YKKZBERDSQNKJZ-OCCSQVGLSA-N 1 0 307.463 2.108 10 0 DEAERO Cn1cc(Cl)cc1-c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000274126044 211378618 /nfs/dbraw/zinc/37/86/18/211378618.db2.gz WWWTVICTPVTXIS-CMPLNLGQSA-N 1 0 308.769 2.264 10 0 DEAERO Cc1nc(C)c(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)s1 ZINC000273967253 211222738 /nfs/dbraw/zinc/22/27/38/211222738.db2.gz LEPNSMDBMUUYOD-GHMZBOCLSA-N 1 0 306.391 2.346 10 0 DEAERO COC[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000104652599 194023118 /nfs/dbraw/zinc/02/31/18/194023118.db2.gz ZJIFWGGUUMHFAC-HNNXBMFYSA-N 1 0 304.434 2.392 10 0 DEAERO CC(C)c1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)nn1C(C)(C)C ZINC000105566237 194110482 /nfs/dbraw/zinc/11/04/82/194110482.db2.gz RFNNYCOGIYZBFG-ZDUSSCGKSA-N 1 0 306.454 2.443 10 0 DEAERO C[C@](O)(C[NH+]1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000105805954 194133813 /nfs/dbraw/zinc/13/38/13/194133813.db2.gz KDPXRSBBMHPAJA-SFHVURJKSA-N 1 0 312.417 2.261 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCOc1ccc(C)cc1 ZINC000047719907 183603291 /nfs/dbraw/zinc/60/32/91/183603291.db2.gz QYTYUWZEXWVCFV-HNNXBMFYSA-N 1 0 307.438 2.403 10 0 DEAERO C[C@H]1CCC[N@H+](CCNC(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000106458432 194216967 /nfs/dbraw/zinc/21/69/67/194216967.db2.gz YUCFDCOSKSMKLR-FUHWJXTLSA-N 1 0 317.477 2.007 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCc1cccc(O)c1 ZINC000106460868 194217762 /nfs/dbraw/zinc/21/77/62/194217762.db2.gz NKGKKITZVMITLC-SFHVURJKSA-N 1 0 312.413 2.224 10 0 DEAERO O=S(=O)(Nc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000049632614 183749638 /nfs/dbraw/zinc/74/96/38/183749638.db2.gz RWGBNYURSNFGBI-UHFFFAOYSA-N 1 0 308.325 2.199 10 0 DEAERO C[C@H](NS(=O)(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000049646015 183751881 /nfs/dbraw/zinc/75/18/81/183751881.db2.gz BICWYOSCWALIOF-RYUDHWBXSA-N 1 0 316.854 2.320 10 0 DEAERO CC(C)(C)c1ccc(CN2CC[NH+](CC(N)=S)CC2)cc1 ZINC000109442628 194263979 /nfs/dbraw/zinc/26/39/79/194263979.db2.gz APDWCASPQXUYON-UHFFFAOYSA-N 1 0 305.491 2.388 10 0 DEAERO CCCc1[nH+]c2cc(N)ccc2n1[C@@]1(C)CCS(=O)(=O)C1 ZINC000052854309 183876649 /nfs/dbraw/zinc/87/66/49/183876649.db2.gz NSQTUSAPTQPQBV-HNNXBMFYSA-N 1 0 307.419 2.105 10 0 DEAERO CC1CCC([NH2+]CCN2CCN(CC(F)(F)F)CC2)CC1 ZINC000053375013 183899866 /nfs/dbraw/zinc/89/98/66/183899866.db2.gz HEXNFTZAQWWFIP-UHFFFAOYSA-N 1 0 307.404 2.335 10 0 DEAERO CCN(CC(F)(F)F)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054443888 183940084 /nfs/dbraw/zinc/94/00/84/183940084.db2.gz JJUVBVLECVLQSU-UHFFFAOYSA-N 1 0 303.328 2.437 10 0 DEAERO CC[C@H]([NH3+])[C@H](SCCS(C)(=O)=O)c1ccccc1F ZINC000111004251 194381260 /nfs/dbraw/zinc/38/12/60/194381260.db2.gz NHGNJWFJUIAVCD-QWHCGFSZSA-N 1 0 305.440 2.382 10 0 DEAERO CCOCCN(CC)[C@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000111117271 194392280 /nfs/dbraw/zinc/39/22/80/194392280.db2.gz LYBDZKBRTTXPIX-CYBMUJFWSA-N 1 0 314.813 2.427 10 0 DEAERO CCOCCN(CC)S(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000111125609 194393449 /nfs/dbraw/zinc/39/34/49/194393449.db2.gz CGEKEFQBUSNEDK-CYBMUJFWSA-N 1 0 314.451 2.014 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccc(N)c(C(F)(F)F)c1 ZINC000111151933 194396211 /nfs/dbraw/zinc/39/62/11/194396211.db2.gz ITBXJZTUHVDPKC-UHFFFAOYSA-N 1 0 303.328 2.311 10 0 DEAERO COC(=O)[C@H](NC1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CC1 ZINC000358844663 291765209 /nfs/dbraw/zinc/76/52/09/291765209.db2.gz DTDUBDYHLNNVDS-CXAGYDPISA-N 1 0 317.433 2.148 10 0 DEAERO CC1CC[NH+](CCCNc2nc(C(F)(F)F)cc(=O)[nH]2)CC1 ZINC000057342491 184034118 /nfs/dbraw/zinc/03/41/18/184034118.db2.gz BYRLZEFGJMGIFU-UHFFFAOYSA-N 1 0 318.343 2.323 10 0 DEAERO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)NCC(C)C ZINC000058525813 184121741 /nfs/dbraw/zinc/12/17/41/184121741.db2.gz NYWSPNCSTNCUGR-MRXNPFEDSA-N 1 0 304.434 2.474 10 0 DEAERO CC[NH2+][C@H](Cc1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000060705869 184154488 /nfs/dbraw/zinc/15/44/88/184154488.db2.gz WTXSWIRAHSDPHL-GFCCVEGCSA-N 1 0 309.353 2.271 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1ccccc1OC(F)(F)F ZINC000061267478 184167349 /nfs/dbraw/zinc/16/73/49/184167349.db2.gz JNQXSUURMGNMDB-SNVBAGLBSA-N 1 0 304.312 2.447 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000061290966 184167931 /nfs/dbraw/zinc/16/79/31/184167931.db2.gz VJMLAWRYEYIAKT-UHFFFAOYSA-N 1 0 320.361 2.010 10 0 DEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000061300872 184167975 /nfs/dbraw/zinc/16/79/75/184167975.db2.gz CSOVIQMXLVULOK-SNVBAGLBSA-N 1 0 313.239 2.494 10 0 DEAERO CCCn1c(S[C@H](c2ccc(C)o2)[C@@H]([NH3+])CC)n[nH]c1=O ZINC000061594980 184176552 /nfs/dbraw/zinc/17/65/52/184176552.db2.gz OETRREZILXVHIQ-JQWIXIFHSA-N 1 0 310.423 2.454 10 0 DEAERO CCNc1cc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc(Cl)n1 ZINC000061656052 184181315 /nfs/dbraw/zinc/18/13/15/184181315.db2.gz CJUGZNSINQBDCV-LBPRGKRZSA-N 1 0 310.829 2.333 10 0 DEAERO [NH3+]C[C@@H](c1cc(Br)ccc1F)N1CCCOCC1 ZINC000061916545 184195225 /nfs/dbraw/zinc/19/52/25/184195225.db2.gz DMINLJVMWXPWRK-ZDUSSCGKSA-N 1 0 317.202 2.310 10 0 DEAERO C[NH2+][C@H]1CCCCCC[C@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941061 184197181 /nfs/dbraw/zinc/19/71/81/184197181.db2.gz VPXSVRRENGBUEJ-UONOGXRCSA-N 1 0 307.404 2.477 10 0 DEAERO C[C@@H]([C@@H]([NH3+])c1ccccc1)N1CCN(CC(F)(F)F)CC1 ZINC000061941122 184197569 /nfs/dbraw/zinc/19/75/69/184197569.db2.gz XZULCUSBCSEWFZ-GXTWGEPZSA-N 1 0 301.356 2.255 10 0 DEAERO C[NH2+][C@H](C)c1sc(N2CCN(CC(F)(F)F)CC2)nc1C ZINC000061948506 184197748 /nfs/dbraw/zinc/19/77/48/184197748.db2.gz MUBRZZCUGPSHPS-SECBINFHSA-N 1 0 322.400 2.416 10 0 DEAERO CCC[C@H]1CC[C@H](O)[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000061942862 184197965 /nfs/dbraw/zinc/19/79/65/184197965.db2.gz YOXRIGQFXIINLX-MJBXVCDLSA-N 1 0 308.388 2.496 10 0 DEAERO Cc1nc(N2CCN(CC(F)(F)F)CC2)sc1[C@H](C)[NH3+] ZINC000061948530 184198057 /nfs/dbraw/zinc/19/80/57/184198057.db2.gz FMTVJXLDBQKLGE-QMMMGPOBSA-N 1 0 308.373 2.156 10 0 DEAERO C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)C1CC[NH2+]CC1 ZINC000062010845 184201279 /nfs/dbraw/zinc/20/12/79/184201279.db2.gz RFAJRHFLIYJRSV-NSHDSACASA-N 1 0 316.854 2.415 10 0 DEAERO C[C@@H](C(=O)N(C)[C@@H](C)c1ccccc1Cl)N1CC[NH2+]CC1 ZINC000062028182 184202470 /nfs/dbraw/zinc/20/24/70/184202470.db2.gz NVXFJIJOBXMQLB-STQMWFEESA-N 1 0 309.841 2.153 10 0 DEAERO C[NH+](C)CCCNC(=O)[C@@H](Cc1cccnc1)c1ccccc1 ZINC000062066110 184203842 /nfs/dbraw/zinc/20/38/42/184203842.db2.gz YYCBWLJLKNFQNC-SFHVURJKSA-N 1 0 311.429 2.476 10 0 DEAERO CNc1ncc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1Cl ZINC000062069714 184204380 /nfs/dbraw/zinc/20/43/80/184204380.db2.gz CQZVAEYRMOFHOK-LLVKDONJSA-N 1 0 310.829 2.238 10 0 DEAERO Brc1ccccc1Cc1noc([C@@H]2CC[NH2+]C2)n1 ZINC000062119914 184206898 /nfs/dbraw/zinc/20/68/98/184206898.db2.gz YJQLEOZSFDSZPG-SNVBAGLBSA-N 1 0 308.179 2.500 10 0 DEAERO CN(Cc1nccn1C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000062247656 184225252 /nfs/dbraw/zinc/22/52/52/184225252.db2.gz VTURPMMHDXDOSQ-ZDUSSCGKSA-N 1 0 323.238 2.314 10 0 DEAERO CCOCCOc1c(Cl)cc(C[NH2+]CCOC)cc1OC ZINC000062727876 184250584 /nfs/dbraw/zinc/25/05/84/184250584.db2.gz JVJWPBUEXLPFPE-UHFFFAOYSA-N 1 0 317.813 2.500 10 0 DEAERO CC(C)C[NH2+]Cc1c(N2CCCOCC2)nc2sccn12 ZINC000062738400 184251769 /nfs/dbraw/zinc/25/17/69/184251769.db2.gz HNJBKLRTONXFGP-UHFFFAOYSA-N 1 0 308.451 2.368 10 0 DEAERO Cc1nc(C)n(-c2nc3sccn3c2C[NH2+]C(C)(C)C)n1 ZINC000062738792 184252164 /nfs/dbraw/zinc/25/21/64/184252164.db2.gz KZRPHFGADIARGJ-UHFFFAOYSA-N 1 0 304.423 2.481 10 0 DEAERO CC[C@@H]([NH3+])[C@@](O)(c1ccc2c(c1)OCCCO2)C(F)(F)F ZINC000062784474 184253232 /nfs/dbraw/zinc/25/32/32/184253232.db2.gz FPOBLFNXAMOTAH-OLZOCXBDSA-N 1 0 305.296 2.335 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000062961555 184262644 /nfs/dbraw/zinc/26/26/44/184262644.db2.gz HLBOKPQOEAJYSA-CMPLNLGQSA-N 1 0 301.408 2.139 10 0 DEAERO COc1cnn(C)c1[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000158477011 197276518 /nfs/dbraw/zinc/27/65/18/197276518.db2.gz DKAJMGVMQYBQSG-NSHDSACASA-N 1 0 310.195 2.434 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@]1(CC)CC[NH2+]C1 ZINC000062895552 184259040 /nfs/dbraw/zinc/25/90/40/184259040.db2.gz CHNQIDRLKINSBG-CYBMUJFWSA-N 1 0 310.360 2.194 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063213883 184278886 /nfs/dbraw/zinc/27/88/86/184278886.db2.gz PJLGPVKFFJFHHZ-CHWSQXEVSA-N 1 0 300.399 2.072 10 0 DEAERO O=Cc1c(N2CC[C@H]([NH+]3CCCCC3)C2)nc2sccn12 ZINC000062980981 184264209 /nfs/dbraw/zinc/26/42/09/184264209.db2.gz WIPOOYHLSLAGJJ-LBPRGKRZSA-N 1 0 304.419 2.273 10 0 DEAERO CCCOc1nc(Cl)nc(N2CC[C@H]([NH+](CC)CC)C2)n1 ZINC000062983323 184264309 /nfs/dbraw/zinc/26/43/09/184264309.db2.gz JVXTZHUTHUFTBZ-NSHDSACASA-N 1 0 313.833 2.234 10 0 DEAERO CNc1ncc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000062984906 184264775 /nfs/dbraw/zinc/26/47/75/184264775.db2.gz DGDUTMWVWQBHHJ-LBPRGKRZSA-N 1 0 308.813 2.087 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(C)c(OCCCS(C)(=O)=O)c(C)c1 ZINC000063017532 184267107 /nfs/dbraw/zinc/26/71/07/184267107.db2.gz LEWVZTOWGJLKTR-OAHLLOKOSA-N 1 0 313.463 2.397 10 0 DEAERO CC[NH2+][C@H](c1ccccc1)C(C)(C)CN1CCS(=O)CC1 ZINC000063019131 184267251 /nfs/dbraw/zinc/26/72/51/184267251.db2.gz OWYJNDBOHDKBKA-MRXNPFEDSA-N 1 0 308.491 2.428 10 0 DEAERO CC1CCC(CNS(=O)(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000063147080 184273684 /nfs/dbraw/zinc/27/36/84/184273684.db2.gz SWTURTNMMUJOCS-YMAMQOFZSA-N 1 0 302.484 2.264 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1cncc(Br)c1 ZINC000063167630 184275738 /nfs/dbraw/zinc/27/57/38/184275738.db2.gz CIRIGVBHWJHIKH-GFCCVEGCSA-N 1 0 312.211 2.058 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1cc(Br)ccc1F ZINC000063172368 184276133 /nfs/dbraw/zinc/27/61/33/184276133.db2.gz TWUZOUFGTKODIE-QWRGUYRKSA-N 1 0 301.159 2.198 10 0 DEAERO CC[C@@H](C)N(CC)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159067068 197323928 /nfs/dbraw/zinc/32/39/28/197323928.db2.gz XPJDHUXPCSNMKY-LLVKDONJSA-N 1 0 302.415 2.402 10 0 DEAERO COc1cc(C[NH2+][C@H](C)CC(N)=O)ccc1OCCC(C)C ZINC000066147806 184392919 /nfs/dbraw/zinc/39/29/19/184392919.db2.gz MBRVZCPHGDRDAZ-CYBMUJFWSA-N 1 0 308.422 2.474 10 0 DEAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cccc2c1OCO2 ZINC000185419437 207365615 /nfs/dbraw/zinc/36/56/15/207365615.db2.gz XIVSRWUBVOKYSR-CYBMUJFWSA-N 1 0 304.390 2.410 10 0 DEAERO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H](O)CC1CCCC1)CC2 ZINC000248955829 207371109 /nfs/dbraw/zinc/37/11/09/207371109.db2.gz ONDCXCPMHXOMPQ-YESZJQIVSA-N 1 0 311.466 2.180 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)CSC)cc1 ZINC000069456633 184516689 /nfs/dbraw/zinc/51/66/89/184516689.db2.gz HYSMLQRAACDOEM-NEPJUHHUSA-N 1 0 316.492 2.244 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)CC(C)(C)c2ccccc2)CCO1 ZINC000116785317 194770459 /nfs/dbraw/zinc/77/04/59/194770459.db2.gz VGRRPSFRUNFVJO-INIZCTEOSA-N 1 0 304.434 2.143 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000247656931 285024305 /nfs/dbraw/zinc/02/43/05/285024305.db2.gz YQTUOXZRDHBDSA-KLHDSHLOSA-N 1 0 311.470 2.221 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)COc1cccc(C(F)(F)F)c1 ZINC000538316026 285031453 /nfs/dbraw/zinc/03/14/53/285031453.db2.gz OUGNFSIYBVVKHF-UHFFFAOYSA-N 1 0 318.339 2.494 10 0 DEAERO O=C(C1CC[NH+](CC[C@H]2CCOC2=O)CC1)N1CCCCCC1 ZINC000120055745 195088849 /nfs/dbraw/zinc/08/88/49/195088849.db2.gz GQOYNQKTWBUXJR-INIZCTEOSA-N 1 0 322.449 2.054 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000539416376 285076783 /nfs/dbraw/zinc/07/67/83/285076783.db2.gz OHTHUIVUCKOCGR-UHFFFAOYSA-N 1 0 318.421 2.001 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cn(C)nc1C1CCCCC1 ZINC000539418169 285076874 /nfs/dbraw/zinc/07/68/74/285076874.db2.gz VKMQURIELAZSEG-UHFFFAOYSA-N 1 0 306.454 2.492 10 0 DEAERO Cc1ccc(N2CCC[N@H+](Cc3ccc4c[nH]nc4c3)CC2)nn1 ZINC000120144223 195106039 /nfs/dbraw/zinc/10/60/39/195106039.db2.gz SRAFFTFXZCNHPL-UHFFFAOYSA-N 1 0 322.416 2.374 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)c2sc3cccnc3c2N)CC[N@@H+]1C ZINC000159160716 197332087 /nfs/dbraw/zinc/33/20/87/197332087.db2.gz XYIHBEQQYLHICU-UWVGGRQHSA-N 1 0 304.419 2.091 10 0 DEAERO C[NH2+][C@H](C[S@@](=O)c1ccc(F)c(Cl)c1)[C@@H]1CCOC1 ZINC000159152143 197331361 /nfs/dbraw/zinc/33/13/61/197331361.db2.gz SRKVHQQRAXJJRN-JOCSLMJGSA-N 1 0 305.802 2.211 10 0 DEAERO [NH3+][C@H](C[S@@](=O)c1c(Cl)cccc1Cl)[C@@H]1CCOC1 ZINC000159154320 197331224 /nfs/dbraw/zinc/33/12/24/197331224.db2.gz AHAWBMBKAFKBAN-BNYJVKCBSA-N 1 0 308.230 2.465 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C)cc(C[NH3+])c1F ZINC000159105527 197327678 /nfs/dbraw/zinc/32/76/78/197327678.db2.gz HTEHKVOVRNQHNF-PWSUYJOCSA-N 1 0 314.426 2.402 10 0 DEAERO CC[C@H](C)CN(C)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159068122 197323597 /nfs/dbraw/zinc/32/35/97/197323597.db2.gz RZCDXPWGWLSPTD-JTQLQIEISA-N 1 0 302.415 2.259 10 0 DEAERO CC[NH2+][C@H](C[S@](=O)c1ccc(F)c(F)c1)[C@@H]1CCOC1 ZINC000159046250 197321955 /nfs/dbraw/zinc/32/19/55/197321955.db2.gz ANOSUXCCWCQBHE-QVYZXLCWSA-N 1 0 303.374 2.087 10 0 DEAERO CC[NH2+][C@H](C[S@](=O)c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000158931260 197312637 /nfs/dbraw/zinc/31/26/37/197312637.db2.gz KJLYFVSCDYYJEP-FRGNPEFRSA-N 1 0 301.839 2.462 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000158877303 197308835 /nfs/dbraw/zinc/30/88/35/197308835.db2.gz VHNGWBXSNPEKPH-BPQIPLTHSA-N 1 0 317.477 2.004 10 0 DEAERO COc1cccc(C[C@@H]([NH3+])c2c(Br)cnn2C)c1 ZINC000158873992 197308165 /nfs/dbraw/zinc/30/81/65/197308165.db2.gz LNYVOTDDASJQSC-GFCCVEGCSA-N 1 0 310.195 2.434 10 0 DEAERO CC(C)[N@H+](C)CCCNC(=O)c1ncsc1Br ZINC000288646028 220319133 /nfs/dbraw/zinc/31/91/33/220319133.db2.gz NVQBQNXLLMUVIZ-UHFFFAOYSA-N 1 0 320.256 2.366 10 0 DEAERO Cc1c(F)cc(C[NH3+])cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000158767689 197300208 /nfs/dbraw/zinc/30/02/08/197300208.db2.gz RZQHMLIQEXUZMY-STQMWFEESA-N 1 0 312.410 2.013 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)c1ccc(C)c(C)c1)[C@@H]1CCOC1 ZINC000158731251 197297480 /nfs/dbraw/zinc/29/74/80/197297480.db2.gz OJNUVCHBUKRZMB-GDBMZVCRSA-N 1 0 311.447 2.092 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ncsc1Br ZINC000288670187 220338165 /nfs/dbraw/zinc/33/81/65/220338165.db2.gz PNPYPFSHSNQQRY-QMMMGPOBSA-N 1 0 318.240 2.120 10 0 DEAERO CCCOc1nc(Cl)nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000158569946 197284279 /nfs/dbraw/zinc/28/42/79/197284279.db2.gz WNBUSUVVMLFSIY-WDEREUQCSA-N 1 0 311.817 2.353 10 0 DEAERO CC(C)Oc1cncc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000158446624 197273081 /nfs/dbraw/zinc/27/30/81/197273081.db2.gz OFERCINPTFGVCE-HIFRSBDPSA-N 1 0 305.422 2.424 10 0 DEAERO C[N@H+](CCCC(=O)Nc1cc(Cl)ccc1N)[C@H]1CCOC1 ZINC000158257721 197258230 /nfs/dbraw/zinc/25/82/30/197258230.db2.gz JDBJNVJMXBOFJB-LBPRGKRZSA-N 1 0 311.813 2.362 10 0 DEAERO C[C@H]1OCC[C@H]1[N@H+](C)CCC(=O)Nc1ccc(N)cc1Cl ZINC000158178913 197250095 /nfs/dbraw/zinc/25/00/95/197250095.db2.gz PAEJGQNCQOVDBG-QMTHXVAHSA-N 1 0 311.813 2.360 10 0 DEAERO C[C@H]1CN(c2cc(Br)c(F)cc2N)CC[N@@H+]1C ZINC000157889393 197224290 /nfs/dbraw/zinc/22/42/90/197224290.db2.gz MBJHEHGKGAOIDL-QMMMGPOBSA-N 1 0 302.191 2.311 10 0 DEAERO CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000120300415 195139460 /nfs/dbraw/zinc/13/94/60/195139460.db2.gz QAGVOTPNIURCHZ-ZDUSSCGKSA-N 1 0 305.422 2.381 10 0 DEAERO CCC(C)(C)C1CCC(O)([C@@]2(C[NH3+])CCS(=O)(=O)C2)CC1 ZINC000157666175 197205807 /nfs/dbraw/zinc/20/58/07/197205807.db2.gz QAOXOOAKSQYMAC-OGVSOVDVSA-N 1 0 317.495 2.108 10 0 DEAERO C[C@@H](CNc1noc(-c2ccccc2)n1)N1CCOC[C@H]1C ZINC000157540561 197195289 /nfs/dbraw/zinc/19/52/89/197195289.db2.gz MSPWGWUDEBQSOW-QWHCGFSZSA-N 1 0 302.378 2.258 10 0 DEAERO C[C@@H](CNc1noc(-c2ccccc2)n1)N1CCOC[C@@H]1C ZINC000157540702 197195338 /nfs/dbraw/zinc/19/53/38/197195338.db2.gz MSPWGWUDEBQSOW-STQMWFEESA-N 1 0 302.378 2.258 10 0 DEAERO CCNc1nnc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)s1 ZINC000157286169 197176608 /nfs/dbraw/zinc/17/66/08/197176608.db2.gz PBSBRCDCGIZOBF-NSHDSACASA-N 1 0 313.471 2.210 10 0 DEAERO CCO[C@H]1C[C@@]([NH3+])(C(=O)N(CC(F)(F)F)C2CC2)C1(C)C ZINC000157137930 197164442 /nfs/dbraw/zinc/16/44/42/197164442.db2.gz KWEXSKVLRJAIFF-GXFFZTMASA-N 1 0 308.344 2.072 10 0 DEAERO CCOCCN(C)[C@H](C[NH3+])c1ccc(OC)c(OC)c1Cl ZINC000157117961 197163362 /nfs/dbraw/zinc/16/33/62/197163362.db2.gz OHDFVWRNFDGLSU-GFCCVEGCSA-N 1 0 316.829 2.325 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@H](C)[C@H](C)[NH3+])CCCC2 ZINC000156825582 197142778 /nfs/dbraw/zinc/14/27/78/197142778.db2.gz GXPFNYWUMAAQPF-BDAKNGLRSA-N 1 0 310.419 2.335 10 0 DEAERO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1c(F)cc(F)cc1F ZINC000156718962 197135971 /nfs/dbraw/zinc/13/59/71/197135971.db2.gz IZYSZBOJKAHMPO-LBPRGKRZSA-N 1 0 324.368 2.098 10 0 DEAERO CN1CCO[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000156785645 197140156 /nfs/dbraw/zinc/14/01/56/197140156.db2.gz DUQBRCALCFCWJI-LLVKDONJSA-N 1 0 317.202 2.008 10 0 DEAERO CSC(C)(C)C[NH2+]C[C@@H](O)COCCc1scnc1C ZINC000156680651 197132896 /nfs/dbraw/zinc/13/28/96/197132896.db2.gz VCEMLNAEFVWCCZ-GFCCVEGCSA-N 1 0 318.508 2.103 10 0 DEAERO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000188770613 533149603 /nfs/dbraw/zinc/14/96/03/533149603.db2.gz AVUMLUWUIRUYMQ-STQMWFEESA-N 1 0 324.388 2.478 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ncc(Cl)cc1Cl ZINC000156184629 197092567 /nfs/dbraw/zinc/09/25/67/197092567.db2.gz WXMZLXQPIDKKNZ-WCBMZHEXSA-N 1 0 317.220 2.139 10 0 DEAERO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[S@](C)=O)CC1 ZINC000156012417 197080284 /nfs/dbraw/zinc/08/02/84/197080284.db2.gz XVGQGFQKONAVDN-JLCFBVMHSA-N 1 0 322.474 2.097 10 0 DEAERO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[S@](C)=O)CC1 ZINC000156012321 197080304 /nfs/dbraw/zinc/08/03/04/197080304.db2.gz XVGQGFQKONAVDN-RCDICMHDSA-N 1 0 322.474 2.097 10 0 DEAERO C[C@@H]1CN(C(=O)c2cccc(F)c2Br)C[C@H](C)[NH2+]1 ZINC000155992965 197079047 /nfs/dbraw/zinc/07/90/47/197079047.db2.gz MYWXJEWCQIQXSI-DTORHVGOSA-N 1 0 315.186 2.411 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)c1cccc(F)c1Br ZINC000155994983 197078887 /nfs/dbraw/zinc/07/88/87/197078887.db2.gz HVEPSTJJIWLOOW-SECBINFHSA-N 1 0 315.186 2.460 10 0 DEAERO C[C@H]1C[C@@H](Nc2ccc(F)c(NS(C)(=O)=O)c2)CC[N@@H+]1C ZINC000155963183 197077109 /nfs/dbraw/zinc/07/71/09/197077109.db2.gz YBCBYQRJWONPDP-JQWIXIFHSA-N 1 0 315.414 2.092 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000155601206 197070940 /nfs/dbraw/zinc/07/09/40/197070940.db2.gz ASRMFCATUIDEHS-KBPBESRZSA-N 1 0 302.374 2.221 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)c1ccsc1 ZINC000155387286 197049442 /nfs/dbraw/zinc/04/94/42/197049442.db2.gz HZLIWBCCSSRYLI-JKSUJKDBSA-N 1 0 318.442 2.071 10 0 DEAERO c1nnc2ccc(N3CC[NH+](CCCC4CCCC4)CC3)nn12 ZINC000120417895 195163562 /nfs/dbraw/zinc/16/35/62/195163562.db2.gz LYPDOWIPZIUDFB-UHFFFAOYSA-N 1 0 314.437 2.217 10 0 DEAERO COc1ccc([C@H]2CCCN2C(=O)[C@]2(F)CC[NH2+]C2)c(OC)c1 ZINC000408513562 533203223 /nfs/dbraw/zinc/20/32/23/533203223.db2.gz QDDFDIWNRVQSPV-PBHICJAKSA-N 1 0 322.380 2.069 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(F)c1 ZINC000120541650 195186889 /nfs/dbraw/zinc/18/68/89/195186889.db2.gz HSYKRWWVGPVSNM-OLZOCXBDSA-N 1 0 321.396 2.014 10 0 DEAERO COCCOc1cccc(CN(C)CC(=O)NC(C)(C)C)c1 ZINC000120656177 195209851 /nfs/dbraw/zinc/20/98/51/195209851.db2.gz KNTUOLHHUKRPBW-UHFFFAOYSA-N 1 0 308.422 2.058 10 0 DEAERO CC1(C)[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@H]2CCO[C@@H]21 ZINC000120894045 195259515 /nfs/dbraw/zinc/25/95/15/195259515.db2.gz RYIQAZBKELEPNN-OAGGEKHMSA-N 1 0 321.465 2.070 10 0 DEAERO O=C([C@@H]1C[N@H+](Cc2cccs2)C[C@@H]2OCC[C@@H]21)N1CCCC1 ZINC000247797435 257117453 /nfs/dbraw/zinc/11/74/53/257117453.db2.gz SCABSYODHHFRMH-OAGGEKHMSA-N 1 0 320.458 2.207 10 0 DEAERO O=C(C[C@@H]1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O1)NCc1cccs1 ZINC000247757000 257117961 /nfs/dbraw/zinc/11/79/61/257117961.db2.gz DXCFGTVLHJSTGE-YCPHGPKFSA-N 1 0 320.458 2.254 10 0 DEAERO Cc1nc(CN2C[C@H]3COC[C@]3(COCC3CC3)C2)cs1 ZINC000503718603 257209008 /nfs/dbraw/zinc/20/90/08/257209008.db2.gz HEZIFFOJIVQCHE-GOEBONIOSA-N 1 0 308.447 2.327 10 0 DEAERO O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)c1ccc(Cl)cc1 ZINC000261994024 285355845 /nfs/dbraw/zinc/35/58/45/285355845.db2.gz TUXDRXFBKUQVOM-YLFCFFPRSA-N 1 0 324.852 2.120 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)Oc1ccccc1 ZINC000074010940 184950724 /nfs/dbraw/zinc/95/07/24/184950724.db2.gz OQGRBBZJXODHES-LSDHHAIUSA-N 1 0 307.438 2.483 10 0 DEAERO CC[C@H]1CN(Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1CCOC ZINC000120976587 195275153 /nfs/dbraw/zinc/27/51/53/195275153.db2.gz IIBDHUIAWZPOFJ-INIZCTEOSA-N 1 0 308.470 2.181 10 0 DEAERO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000121142110 195298458 /nfs/dbraw/zinc/29/84/58/195298458.db2.gz PFFSDSFDNVSXSV-QLFBSQMISA-N 1 0 312.502 2.087 10 0 DEAERO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000121179373 195302560 /nfs/dbraw/zinc/30/25/60/195302560.db2.gz VLEVDNMPARHXTL-ZDUSSCGKSA-N 1 0 317.389 2.281 10 0 DEAERO Cc1ccccc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000121813017 195352744 /nfs/dbraw/zinc/35/27/44/195352744.db2.gz FOYNSOLUDCMQCI-CQSZACIVSA-N 1 0 305.422 2.026 10 0 DEAERO CCc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000121820469 195354048 /nfs/dbraw/zinc/35/40/48/195354048.db2.gz HTQVFQKACROSPI-MRXNPFEDSA-N 1 0 319.449 2.280 10 0 DEAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000121879748 195366700 /nfs/dbraw/zinc/36/67/00/195366700.db2.gz JQGNRIAELBKQST-NSHDSACASA-N 1 0 316.492 2.370 10 0 DEAERO C[C@H]1CN(C[C@H]2Cc3cc(Br)ccc3O2)CC[NH2+]1 ZINC000122778193 195500515 /nfs/dbraw/zinc/50/05/15/195500515.db2.gz LBJMYYUEQKDWTP-GXFFZTMASA-N 1 0 311.223 2.046 10 0 DEAERO 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/nfs/dbraw/zinc/10/53/30/145105330.db2.gz UOQOAMLEGYOXGT-ZBFHGGJFSA-N 1 0 324.428 2.396 10 0 DEAERO CC[C@H]1CN(C(=O)c2ccccc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000246875179 145117385 /nfs/dbraw/zinc/11/73/85/145117385.db2.gz OFXJSOGWPBOGMA-STQMWFEESA-N 1 0 310.825 2.257 10 0 DEAERO Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1F ZINC000246879129 145118028 /nfs/dbraw/zinc/11/80/28/145118028.db2.gz UWAMVZUOAIISKX-DOTOQJQBSA-N 1 0 320.408 2.251 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(OC)cc1OC ZINC000246894804 145118178 /nfs/dbraw/zinc/11/81/78/145118178.db2.gz HBAMQGQWYCNSKI-KGLIPLIRSA-N 1 0 318.417 2.403 10 0 DEAERO Brc1ccc(N2CC[C@H]([NH2+][C@H]3CCOC3)C2)cc1 ZINC000247029282 145124036 /nfs/dbraw/zinc/12/40/36/145124036.db2.gz NLAAGTIZJZXFAA-STQMWFEESA-N 1 0 311.223 2.406 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2Oc3ccccc3[C@H]2C)C1 ZINC000247042235 145124631 /nfs/dbraw/zinc/12/46/31/145124631.db2.gz YIMUCNBKJZQXNT-JKIFEVAISA-N 1 0 302.418 2.351 10 0 DEAERO CSc1ccc(O[C@H](C)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000247056631 145125293 /nfs/dbraw/zinc/12/52/93/145125293.db2.gz RCVHAWMMMMHXKC-KGLIPLIRSA-N 1 0 320.458 2.482 10 0 DEAERO C[C@H](O)c1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000247081136 145126102 /nfs/dbraw/zinc/12/61/02/145126102.db2.gz HUUMAUZYUIYGMX-GRDNDAEWSA-N 1 0 317.433 2.118 10 0 DEAERO O=C(N[C@H](Cc1ccccc1)C1CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247086848 145126597 /nfs/dbraw/zinc/12/65/97/145126597.db2.gz ZVXZVIRHZQNKKU-ZWKOTPCHSA-N 1 0 313.445 2.497 10 0 DEAERO Cc1ccc(OCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(C)c1 ZINC000247142716 145127514 /nfs/dbraw/zinc/12/75/14/145127514.db2.gz JUYCSCGXXLMNFU-CVEARBPZSA-N 1 0 302.418 2.377 10 0 DEAERO CC[C@@H]1CN([C@H](C)c2nc(C(C)C)no2)CC[N@@H+]1CCOC ZINC000247209572 145128809 /nfs/dbraw/zinc/12/88/09/145128809.db2.gz PNNYWVBUIJWMPN-ZIAGYGMSSA-N 1 0 310.442 2.297 10 0 DEAERO CSC[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247200909 145129192 /nfs/dbraw/zinc/12/91/92/145129192.db2.gz LTEDBPFKPXWTLE-IJEWVQPXSA-N 1 0 321.490 2.407 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COc3ccccc3C2)[C@@H](C)C1 ZINC000247216318 145129870 /nfs/dbraw/zinc/12/98/70/145129870.db2.gz CKOCLLROAHTPNN-UAGQMJEPSA-N 1 0 316.445 2.426 10 0 DEAERO Cc1nn(C)c2sc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc12 ZINC000247259614 145130654 /nfs/dbraw/zinc/13/06/54/145130654.db2.gz DYIRFKMRBLOPJQ-CMPLNLGQSA-N 1 0 320.462 2.498 10 0 DEAERO c1cc(-c2nc(CN3CC[N@@H+]4CCCC[C@H]4C3)no2)cs1 ZINC000247441052 145137286 /nfs/dbraw/zinc/13/72/86/145137286.db2.gz WURBMUMGUGACTA-ZDUSSCGKSA-N 1 0 304.419 2.468 10 0 DEAERO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247547198 145141043 /nfs/dbraw/zinc/14/10/43/145141043.db2.gz RUKZCUHKVFMLKP-ZBFHGGJFSA-N 1 0 304.438 2.001 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)c(F)c2)C[C@H]1C ZINC000247580995 145141985 /nfs/dbraw/zinc/14/19/85/145141985.db2.gz IKSMGWHYRSJJCF-CQSZACIVSA-N 1 0 310.413 2.377 10 0 DEAERO C[C@@H]1Cc2ccccc2N1C(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248326798 145150481 /nfs/dbraw/zinc/15/04/81/145150481.db2.gz CBEGQCYHALMURA-WBVHZDCISA-N 1 0 313.445 2.134 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)NCCC1CCCCC1 ZINC000248343411 145151336 /nfs/dbraw/zinc/15/13/36/145151336.db2.gz KHBPIOXPFYBQQQ-KRWDZBQOSA-N 1 0 307.482 2.243 10 0 DEAERO C[C@H](NC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1)c1cccs1 ZINC000248344417 145151559 /nfs/dbraw/zinc/15/15/59/145151559.db2.gz LNVSHDBIIFTNGP-KBPBESRZSA-N 1 0 307.463 2.095 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(O)cc1 ZINC000248391703 145152448 /nfs/dbraw/zinc/15/24/48/145152448.db2.gz JRZZZLAPXUDLER-ZHANPKHBSA-N 1 0 300.402 2.491 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(C3CCC3)n2C)[C@@H](C)C1 ZINC000248395326 145152469 /nfs/dbraw/zinc/15/24/69/145152469.db2.gz YPXOSMZGTJLPGQ-ZFWWWQNUSA-N 1 0 305.470 2.245 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2C[S@@](C)=O)C1 ZINC000248401765 145153114 /nfs/dbraw/zinc/15/31/14/145153114.db2.gz SQSATYMQWTZJST-JLCFBVMHSA-N 1 0 323.462 2.171 10 0 DEAERO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@](C)(O)C(C)C)C2)nc1 ZINC000248424092 145154230 /nfs/dbraw/zinc/15/42/30/145154230.db2.gz HCPGIRWSAOVSAS-CRAIPNDOSA-N 1 0 319.449 2.448 10 0 DEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000248706584 145164464 /nfs/dbraw/zinc/16/44/64/145164464.db2.gz ABYGCGGRDMUVKX-WQVCFCJDSA-N 1 0 323.868 2.055 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nc3cccnc3s2)[C@@H](C)C1 ZINC000248738372 145165649 /nfs/dbraw/zinc/16/56/49/145165649.db2.gz OJKZUSUIXHAICE-AAEUAGOBSA-N 1 0 318.446 2.494 10 0 DEAERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1c(C)nn(C)c1Cl ZINC000248812664 145168699 /nfs/dbraw/zinc/16/86/99/145168699.db2.gz HYTHTKYSVPNSER-GVXVVHGQSA-N 1 0 311.813 2.155 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000248975138 145174401 /nfs/dbraw/zinc/17/44/01/145174401.db2.gz QOPTYWWJNCGJEX-RRFJBIMHSA-N 1 0 306.406 2.348 10 0 DEAERO CCOCCN1CC[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1CC ZINC000248988401 145175431 /nfs/dbraw/zinc/17/54/31/145175431.db2.gz XOEHZBBZFAVTOS-ZWKOTPCHSA-N 1 0 312.498 2.360 10 0 DEAERO CCCC[N@H+](C[C@H](O)CC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000249115902 145179124 /nfs/dbraw/zinc/17/91/24/145179124.db2.gz RWNJSKBEBBNFEM-JKSUJKDBSA-N 1 0 317.495 2.217 10 0 DEAERO CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249420381 145183863 /nfs/dbraw/zinc/18/38/63/145183863.db2.gz HLHICTAXUNHFDE-LESCRADOSA-N 1 0 310.482 2.220 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000249742027 145189459 /nfs/dbraw/zinc/18/94/59/145189459.db2.gz JGFSYOUENCSDSY-GDBMZVCRSA-N 1 0 306.454 2.442 10 0 DEAERO COc1cccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](OC)C2)c1 ZINC000251995434 145198079 /nfs/dbraw/zinc/19/80/79/145198079.db2.gz WEUUPQNBIIPJGQ-JKIFEVAISA-N 1 0 320.433 2.057 10 0 DEAERO COc1ccc(OC)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000252656855 145199737 /nfs/dbraw/zinc/19/97/37/145199737.db2.gz WGPVLNMRXNJSNH-XJKSGUPXSA-N 1 0 318.417 2.260 10 0 DEAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCCCn3cccn3)[C@H]2C1 ZINC000252801605 145201028 /nfs/dbraw/zinc/20/10/28/145201028.db2.gz CPEKPVBJMRTZER-IXDOHACOSA-N 1 0 307.438 2.322 10 0 DEAERO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000253355791 145202074 /nfs/dbraw/zinc/20/20/74/145202074.db2.gz UROZBQRUYPTKFC-HZPDHXFCSA-N 1 0 314.433 2.244 10 0 DEAERO CCCN(CC(=O)N(CC)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000261549654 145207340 /nfs/dbraw/zinc/20/73/40/145207340.db2.gz OXBSEVUNSQKLMB-QGZVFWFLSA-N 1 0 303.450 2.109 10 0 DEAERO C[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C[NH3+])C1 ZINC000261598517 145209265 /nfs/dbraw/zinc/20/92/65/145209265.db2.gz QAQKHPJIJMOOHY-JQWIXIFHSA-N 1 0 318.389 2.247 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1c(F)cccc1OC(F)F ZINC000261619389 145211187 /nfs/dbraw/zinc/21/11/87/145211187.db2.gz AQWPOADEBOCJEH-NXEZZACHSA-N 1 0 316.323 2.418 10 0 DEAERO C/C=C/c1ccc(OCC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(OC)c1 ZINC000261624866 145211771 /nfs/dbraw/zinc/21/17/71/145211771.db2.gz CHMWUYQNSBAHPZ-BCBDKAHJSA-N 1 0 318.417 2.303 10 0 DEAERO C[C@@H](CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)(C)C ZINC000261659681 145214521 /nfs/dbraw/zinc/21/45/21/145214521.db2.gz BAGRAXRIOGKFLL-NWDGAFQWSA-N 1 0 323.403 2.011 10 0 DEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261668757 145214834 /nfs/dbraw/zinc/21/48/34/145214834.db2.gz AKBDDUZCGFDDSG-WBVHZDCISA-N 1 0 304.434 2.267 10 0 DEAERO [NH3+]C1(C(=O)Nc2nc3c(s2)CCCCCC3)CCOCC1 ZINC000261673362 145215461 /nfs/dbraw/zinc/21/54/61/145215461.db2.gz CCTDKIUJKMFFNX-UHFFFAOYSA-N 1 0 309.435 2.249 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261682761 145215987 /nfs/dbraw/zinc/21/59/87/145215987.db2.gz HBXODCGIKPOYPR-IINYFYTJSA-N 1 0 311.376 2.351 10 0 DEAERO Nc1ncc(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)s1 ZINC000261682488 145216394 /nfs/dbraw/zinc/21/63/94/145216394.db2.gz QSHHBKFYAYVNDQ-INIZCTEOSA-N 1 0 303.431 2.251 10 0 DEAERO CCc1nccn1[C@@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261683388 145216435 /nfs/dbraw/zinc/21/64/35/145216435.db2.gz HCLXSKGZODZWPQ-RRFJBIMHSA-N 1 0 304.438 2.127 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261689062 145216851 /nfs/dbraw/zinc/21/68/51/145216851.db2.gz HKPGTCXVTSASQU-CYBMUJFWSA-N 1 0 316.854 2.396 10 0 DEAERO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000261709403 145219341 /nfs/dbraw/zinc/21/93/41/145219341.db2.gz DKQHTQLZHICHTC-MJBXVCDLSA-N 1 0 323.234 2.421 10 0 DEAERO C[C@]1(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261729334 145221353 /nfs/dbraw/zinc/22/13/53/145221353.db2.gz HAMCOBRNCVQFKY-KRWDZBQOSA-N 1 0 321.852 2.097 10 0 DEAERO Clc1cccc([C@H](CNC2=[NH+]CCCN2)N2CCCC2)c1 ZINC000261771235 145224059 /nfs/dbraw/zinc/22/40/59/145224059.db2.gz MTADAXHSVBXSOA-HNNXBMFYSA-N 1 0 306.841 2.416 10 0 DEAERO [NH3+]C1(c2noc(CN3c4ccccc4CCCC3=O)n2)CCC1 ZINC000261781574 145225805 /nfs/dbraw/zinc/22/58/05/145225805.db2.gz NVKWMNLGSWKSGQ-UHFFFAOYSA-N 1 0 312.373 2.277 10 0 DEAERO CC(C)[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(F)cc1F ZINC000261780576 145225929 /nfs/dbraw/zinc/22/59/29/145225929.db2.gz MXGUHVAORMKSJB-UGFHNGPFSA-N 1 0 312.360 2.284 10 0 DEAERO CCCn1cc(CN2CC[NH2+]C[C@@H]2c2ccccc2OC)cn1 ZINC000261784122 145226054 /nfs/dbraw/zinc/22/60/54/145226054.db2.gz KJWXGORHQKLLDC-QGZVFWFLSA-N 1 0 314.433 2.448 10 0 DEAERO COc1ccccc1-n1nccc1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261802089 145228019 /nfs/dbraw/zinc/22/80/19/145228019.db2.gz HAVRJKDEVVORBZ-KRWDZBQOSA-N 1 0 314.433 2.440 10 0 DEAERO COCc1cccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000261810778 145228692 /nfs/dbraw/zinc/22/86/92/145228692.db2.gz GMSVMCHRHVQCCD-RLFYNMQTSA-N 1 0 318.417 2.304 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000261808545 145229176 /nfs/dbraw/zinc/22/91/76/145229176.db2.gz MJVPOXYVODLKCF-GHMZBOCLSA-N 1 0 310.344 2.123 10 0 DEAERO [NH3+]CC1(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCOCC1 ZINC000261846909 145232991 /nfs/dbraw/zinc/23/29/91/145232991.db2.gz AXRKKDAPWSMHPI-UHFFFAOYSA-N 1 0 315.373 2.399 10 0 DEAERO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261852101 145233589 /nfs/dbraw/zinc/23/35/89/145233589.db2.gz BGCZVCUDODFVNU-YVSFHVDLSA-N 1 0 318.465 2.054 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261852707 145233745 /nfs/dbraw/zinc/23/37/45/145233745.db2.gz QGYNMKBEBDPCQL-CQSZACIVSA-N 1 0 306.454 2.203 10 0 DEAERO Cc1ccc(CN(C)C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000261885625 145237959 /nfs/dbraw/zinc/23/79/59/145237959.db2.gz NCMAADOLZHEIQV-GPMSIDNRSA-N 1 0 316.445 2.486 10 0 DEAERO [NH3+][C@H](C(=O)Nc1ccc(OCC(F)F)cc1)C1CCOCC1 ZINC000261901792 145239403 /nfs/dbraw/zinc/23/94/03/145239403.db2.gz WNCUMUIUTLCRPJ-AWEZNQCLSA-N 1 0 314.332 2.023 10 0 DEAERO C[C@@]1(CN2CCCN(C(=O)CC3CCCC3)CC2)CC[NH2+]C1 ZINC000261910192 145240117 /nfs/dbraw/zinc/24/01/17/145240117.db2.gz YAKGMZQEFDIZII-GOSISDBHSA-N 1 0 307.482 2.101 10 0 DEAERO Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)s1 ZINC000261906990 145240415 /nfs/dbraw/zinc/24/04/15/145240415.db2.gz IKYRTAYYZCVYLF-ZNMIVQPWSA-N 1 0 309.479 2.049 10 0 DEAERO CC1(C)CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC[C@H]1[NH3+] ZINC000261913492 145241278 /nfs/dbraw/zinc/24/12/78/145241278.db2.gz TZTIDNBFLFJUAH-CQSZACIVSA-N 1 0 317.364 2.279 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1ccc2c(c1)CCO2 ZINC000261919530 145242011 /nfs/dbraw/zinc/24/20/11/145242011.db2.gz UUORDYSODVIUQN-JOUKPKRSSA-N 1 0 314.429 2.186 10 0 DEAERO Cn1cc([C@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)C(C)(C)C)cn1 ZINC000261926477 145242583 /nfs/dbraw/zinc/24/25/83/145242583.db2.gz JZIFAIIDBXFMCP-KBPBESRZSA-N 1 0 304.438 2.013 10 0 DEAERO Cn1cnnc1-c1cccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000261932765 145244213 /nfs/dbraw/zinc/24/42/13/145244213.db2.gz SYOLFSRLIWXJEP-AWEZNQCLSA-N 1 0 313.405 2.199 10 0 DEAERO COc1cc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)ccc1NC(C)=O ZINC000261947146 145245518 /nfs/dbraw/zinc/24/55/18/145245518.db2.gz VUTYZOCLMYSVOX-HNNXBMFYSA-N 1 0 319.405 2.370 10 0 DEAERO Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261952247 145246562 /nfs/dbraw/zinc/24/65/62/145246562.db2.gz OMQZXLNQPGOWPT-ZACQAIPSSA-N 1 0 304.434 2.121 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000261958727 145247041 /nfs/dbraw/zinc/24/70/41/145247041.db2.gz MEOYIDPEZAGWAC-JXFSHQFZSA-N 1 0 315.417 2.090 10 0 DEAERO CCC1CCC(CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000261979923 145249577 /nfs/dbraw/zinc/24/95/77/145249577.db2.gz RMNDTADXIVFXSQ-MMADZMRASA-N 1 0 318.465 2.056 10 0 DEAERO COCC[C@@]1(c2nc(COc3ccccc3F)no2)CC[NH2+]C1 ZINC000262006864 145253039 /nfs/dbraw/zinc/25/30/39/145253039.db2.gz LYBXISAICSAFGV-INIZCTEOSA-N 1 0 321.352 2.055 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)N(C)c1ccccc1 ZINC000262029011 145254373 /nfs/dbraw/zinc/25/43/73/145254373.db2.gz XHHXQVWMAKWGBZ-LULLPPNCSA-N 1 0 317.477 2.258 10 0 DEAERO COC(=O)c1cccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000262041899 145255884 /nfs/dbraw/zinc/25/58/84/145255884.db2.gz YLQPSEHLGVTDFI-QGZVFWFLSA-N 1 0 311.385 2.015 10 0 DEAERO CN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000262057768 145257503 /nfs/dbraw/zinc/25/75/03/145257503.db2.gz QUKJRIYUURSDOK-WBVHZDCISA-N 1 0 321.852 2.377 10 0 DEAERO CCOc1ccccc1N1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262053660 145257941 /nfs/dbraw/zinc/25/79/41/145257941.db2.gz QLGBRPJWOIBBTP-SFHVURJKSA-N 1 0 303.450 2.207 10 0 DEAERO C[C@@H](C(=O)N(C)c1cccc(OC(F)(F)F)c1)C1C[NH2+]C1 ZINC000262250315 145271736 /nfs/dbraw/zinc/27/17/36/145271736.db2.gz SNMIBOIJIHXKQB-SECBINFHSA-N 1 0 302.296 2.404 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N2CCCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000262369837 145279438 /nfs/dbraw/zinc/27/94/38/145279438.db2.gz JVFOGDVRKVNZRW-HOTGVXAUSA-N 1 0 301.434 2.113 10 0 DEAERO CCN(Cc1ccccc1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(C)=O ZINC000262383874 145280743 /nfs/dbraw/zinc/28/07/43/145280743.db2.gz OKARFYSKWLWCOB-ZFWWWQNUSA-N 1 0 317.433 2.382 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1nc(C2CC2)cs1 ZINC000262530300 145290796 /nfs/dbraw/zinc/29/07/96/145290796.db2.gz PLIFECKXOCSYGB-SIVJFFJCSA-N 1 0 321.446 2.492 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262667337 145298868 /nfs/dbraw/zinc/29/88/68/145298868.db2.gz KZZMAOWMGIONFB-ILXRZTDVSA-N 1 0 304.438 2.076 10 0 DEAERO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262683469 145300064 /nfs/dbraw/zinc/30/00/64/145300064.db2.gz WYQDBZZQAGVQJO-SJKOYZFVSA-N 1 0 314.433 2.093 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@H]3CC[NH2+][C@@H](C)C3)nc21 ZINC000262812659 145306298 /nfs/dbraw/zinc/30/62/98/145306298.db2.gz FZVQOULUJGEUBQ-STQMWFEESA-N 1 0 300.406 2.061 10 0 DEAERO C[C@@H]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC12CCC2 ZINC000262827054 145306812 /nfs/dbraw/zinc/30/68/12/145306812.db2.gz RSANDTYOEMDNFF-CABCVRRESA-N 1 0 316.449 2.460 10 0 DEAERO COc1ccc2c(CC(=O)N[C@@H]3CC[NH2+][C@H](C)C3)coc2c1 ZINC000262963718 145314010 /nfs/dbraw/zinc/31/40/10/145314010.db2.gz WVMHYIWCCFTFDS-DGCLKSJQSA-N 1 0 302.374 2.241 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(COc2cccc3ccccc32)n1 ZINC000263155838 145330137 /nfs/dbraw/zinc/33/01/37/145330137.db2.gz DMJVATRLLDNXSY-OAHLLOKOSA-N 1 0 324.384 2.378 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2C[C@H]2c2ccc(F)cc2F)n1 ZINC000263210830 145336598 /nfs/dbraw/zinc/33/65/98/145336598.db2.gz KFYAPPXUZXXHQQ-OUCADQQQSA-N 1 0 320.343 2.195 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cccc(C(F)(F)F)c2)n1 ZINC000263210916 145336875 /nfs/dbraw/zinc/33/68/75/145336875.db2.gz KHXHLDIZGGCSHK-NSHDSACASA-N 1 0 312.295 2.332 10 0 DEAERO Cc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c(C)n1C(C)C ZINC000263224605 145338439 /nfs/dbraw/zinc/33/84/39/145338439.db2.gz MOLHXQFXTYLWGM-CQSZACIVSA-N 1 0 303.410 2.312 10 0 DEAERO C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000332798500 145388615 /nfs/dbraw/zinc/38/86/15/145388615.db2.gz NSGSWJGBSAZQCT-ZMSDIMECSA-N 1 0 324.465 2.094 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C1CCCCCC1 ZINC000346636042 146114301 /nfs/dbraw/zinc/11/43/01/146114301.db2.gz NZCJKOUDLWRNDS-ZIAGYGMSSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@@H]([NH2+]CCC1(F)CCC1)c1cccc(S(N)(=O)=O)c1 ZINC000348407914 146267286 /nfs/dbraw/zinc/26/72/86/146267286.db2.gz NLBUZWMXBFGUHO-LLVKDONJSA-N 1 0 300.399 2.267 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000358445977 147135939 /nfs/dbraw/zinc/13/59/39/147135939.db2.gz XQWXPYPKYISLID-UHFFFAOYSA-N 1 0 316.405 2.419 10 0 DEAERO COC(=O)CC1(CC(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)CCCC1 ZINC000358710634 147186962 /nfs/dbraw/zinc/18/69/62/147186962.db2.gz GDDRVYYHLBPBHO-ZIAGYGMSSA-N 1 0 310.438 2.051 10 0 DEAERO COc1cc(C)c(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000358709408 147187325 /nfs/dbraw/zinc/18/73/25/147187325.db2.gz CYOCTQMXVACMGT-BETUJISGSA-N 1 0 306.406 2.177 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC(C)(CCOC)C1 ZINC000358758661 147197831 /nfs/dbraw/zinc/19/78/31/147197831.db2.gz ADLWKBQIFVEVTP-HNNXBMFYSA-N 1 0 311.470 2.319 10 0 DEAERO COCCC1(C)CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000358767107 147201016 /nfs/dbraw/zinc/20/10/16/147201016.db2.gz ITQVTKHHTOYQJK-CQSZACIVSA-N 1 0 313.486 2.421 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cn[nH]c2)cc1 ZINC000358787049 147205012 /nfs/dbraw/zinc/20/50/12/147205012.db2.gz CULVFPAOJMAIKY-MNOVXSKESA-N 1 0 300.362 2.290 10 0 DEAERO COCCC1(C)CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000358906827 147228894 /nfs/dbraw/zinc/22/88/94/147228894.db2.gz SXDRVGUECUQWST-UHFFFAOYSA-N 1 0 323.481 2.461 10 0 DEAERO C[C@H](NC(=O)c1cc(-c2cccnc2)on1)C(C)(C)C[NH+](C)C ZINC000359282011 147298457 /nfs/dbraw/zinc/29/84/57/147298457.db2.gz SCUNXDYYQDBHSX-LBPRGKRZSA-N 1 0 316.405 2.443 10 0 DEAERO NC(=O)[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000359440190 147328503 /nfs/dbraw/zinc/32/85/03/147328503.db2.gz OWGKZILGRMXLKA-YOEHRIQHSA-N 1 0 312.369 2.033 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000247517681 292174686 /nfs/dbraw/zinc/17/46/86/292174686.db2.gz NTJFYRAZTGXNHH-GOEBONIOSA-N 1 0 308.447 2.100 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)cc2)[C@H](C)C1 ZINC000127318208 401728492 /nfs/dbraw/zinc/72/84/92/401728492.db2.gz GURJHHMVSOIHOO-ZBFHGGJFSA-N 1 0 317.433 2.122 10 0 DEAERO CS(=O)(=O)CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127442714 401735052 /nfs/dbraw/zinc/73/50/52/401735052.db2.gz CUYWDMGPEHLYHJ-UHFFFAOYSA-N 1 0 324.215 2.113 10 0 DEAERO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000111219751 401701300 /nfs/dbraw/zinc/70/13/00/401701300.db2.gz JOXIPLYCUOAEOA-NWDGAFQWSA-N 1 0 323.824 2.173 10 0 DEAERO CC1CC[NH+](C2CCC(NC(=O)NCC3(C)COC3)CC2)CC1 ZINC000126679953 401704572 /nfs/dbraw/zinc/70/45/72/401704572.db2.gz FHRGBRNHMSMTRH-UHFFFAOYSA-N 1 0 323.481 2.365 10 0 DEAERO COc1ccc(S(=O)(=O)[C@H](C[NH3+])c2cccc(F)c2)cc1 ZINC000008031266 401747688 /nfs/dbraw/zinc/74/76/88/401747688.db2.gz IENSGVQQWIQONG-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO CC(C)c1cc(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)on1 ZINC000072804901 401712441 /nfs/dbraw/zinc/71/24/41/401712441.db2.gz RKRKULPBOHGGFA-ZDUSSCGKSA-N 1 0 321.421 2.123 10 0 DEAERO Cc1cc(OC(F)F)c(C(=O)NC[C@@H]2CCC[N@H+]2C)s1 ZINC000114380505 401797957 /nfs/dbraw/zinc/79/79/57/401797957.db2.gz FDYWANMMXZRIFE-VIFPVBQESA-N 1 0 304.362 2.482 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncncc1Br ZINC000129130011 401799543 /nfs/dbraw/zinc/79/95/43/401799543.db2.gz SCWMSELGSNHATE-MNOVXSKESA-N 1 0 311.227 2.302 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000129302275 401802034 /nfs/dbraw/zinc/80/20/34/401802034.db2.gz WTMKTTJKEJNTIO-DZGCQCFKSA-N 1 0 303.406 2.103 10 0 DEAERO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000566128390 292208228 /nfs/dbraw/zinc/20/82/28/292208228.db2.gz BSAJVBVLCPZLGO-MZMPZRCHSA-N 1 0 305.418 2.336 10 0 DEAERO CCOc1c(Cl)cc(CNCCC[NH2+]CCO)cc1Cl ZINC000013733319 401803867 /nfs/dbraw/zinc/80/38/67/401803867.db2.gz DRMFUNZDUIZLBI-UHFFFAOYSA-N 1 0 321.248 2.454 10 0 DEAERO O=C1COc2cc(C[NH+]3CCN(c4ccccc4)CC3)ccc2N1 ZINC000013802980 401804576 /nfs/dbraw/zinc/80/45/76/401804576.db2.gz CDXSZIGVTVIYPC-UHFFFAOYSA-N 1 0 323.396 2.340 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ncc(C)s2)[C@H](C)C1 ZINC000129700292 401807506 /nfs/dbraw/zinc/80/75/06/401807506.db2.gz XDYLWHMOIUWZDO-DGCLKSJQSA-N 1 0 310.467 2.323 10 0 DEAERO C[NH+](C)C1CCN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000127898978 401755246 /nfs/dbraw/zinc/75/52/46/401755246.db2.gz YSNHKGMFSLMKDZ-KRWDZBQOSA-N 1 0 319.424 2.171 10 0 DEAERO CCC(CC)[C@@H](CNC(=O)NCC1(C)COC1)[NH+]1CCCC1 ZINC000112742066 401757375 /nfs/dbraw/zinc/75/73/75/401757375.db2.gz QBMGBNKOHLRIDF-OAHLLOKOSA-N 1 0 311.470 2.223 10 0 DEAERO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)C[C@H]1CCCO1 ZINC000128055915 401760601 /nfs/dbraw/zinc/76/06/01/401760601.db2.gz XNDJNTRVESAXLL-OAHLLOKOSA-N 1 0 323.437 2.062 10 0 DEAERO CCC[C@@H]1CN(C(=O)c2ccc(C)nc2C)CC[N@@H+]1CCOC ZINC000128193015 401766454 /nfs/dbraw/zinc/76/64/54/401766454.db2.gz HCIIQPFARIEXTD-MRXNPFEDSA-N 1 0 319.449 2.271 10 0 DEAERO CCc1cnc(CCNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)s1 ZINC000075813121 401769959 /nfs/dbraw/zinc/76/99/59/401769959.db2.gz RLGVLPSLOCDOLM-CYBMUJFWSA-N 1 0 324.494 2.374 10 0 DEAERO CC(C)[N@H+](CC(=O)NCc1ccc(F)cc1)C1CCOCC1 ZINC000077323274 401810108 /nfs/dbraw/zinc/81/01/08/401810108.db2.gz YQKCJLUDRJJASA-UHFFFAOYSA-N 1 0 308.397 2.331 10 0 DEAERO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000075866104 401772324 /nfs/dbraw/zinc/77/23/24/401772324.db2.gz AMANBYDODNLHDN-INIZCTEOSA-N 1 0 304.434 2.440 10 0 DEAERO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)NCc1cccs1 ZINC000128356845 401772705 /nfs/dbraw/zinc/77/27/05/401772705.db2.gz FLVIBDCMXXELSA-CABCVRRESA-N 1 0 318.446 2.334 10 0 DEAERO CCc1ccccc1NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113269472 401773786 /nfs/dbraw/zinc/77/37/86/401773786.db2.gz JHKCEENYEDFLQT-HOCLYGCPSA-N 1 0 301.434 2.356 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C(=O)N(C)C)c1 ZINC000113268431 401773942 /nfs/dbraw/zinc/77/39/42/401773942.db2.gz RWTXSQPRTJUXCA-RHSMWYFYSA-N 1 0 301.434 2.057 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)s1 ZINC000113305982 401775828 /nfs/dbraw/zinc/77/58/28/401775828.db2.gz JKLXGKXPXUNGQK-VHSXEESVSA-N 1 0 320.867 2.259 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](Cc3cn(C)nc3-c3cccnc3)C2)cn1 ZINC000128417664 401776180 /nfs/dbraw/zinc/77/61/80/401776180.db2.gz XPSUZADJROTJHH-OAHLLOKOSA-N 1 0 322.416 2.205 10 0 DEAERO CC[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000128438250 401776721 /nfs/dbraw/zinc/77/67/21/401776721.db2.gz ICDVXGMZUHJYEC-CKUJCDMFSA-N 1 0 311.470 2.364 10 0 DEAERO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000128522456 401780726 /nfs/dbraw/zinc/78/07/26/401780726.db2.gz HIGWOBONMBZPGE-MRXNPFEDSA-N 1 0 313.405 2.149 10 0 DEAERO CCc1cc(=O)[nH]c(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)n1 ZINC000128592780 401784198 /nfs/dbraw/zinc/78/41/98/401784198.db2.gz GQPSTZVZUXEMHK-KBPBESRZSA-N 1 0 301.394 2.215 10 0 DEAERO CCn1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000114314791 401795800 /nfs/dbraw/zinc/79/58/00/401795800.db2.gz XLWLIBDWAUIVOJ-UHFFFAOYSA-N 1 0 312.417 2.429 10 0 DEAERO CCCC[C@H](COC)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000077624668 401822647 /nfs/dbraw/zinc/82/26/47/401822647.db2.gz FFYVXPVAYMEOSB-OAHLLOKOSA-N 1 0 311.470 2.461 10 0 DEAERO Cc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)n1C ZINC000115416805 401826772 /nfs/dbraw/zinc/82/67/72/401826772.db2.gz ZORIWIUXIVEYHZ-UHFFFAOYSA-N 1 0 303.381 2.464 10 0 DEAERO Cc1nn(C)c(C)c1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115415790 401827239 /nfs/dbraw/zinc/82/72/39/401827239.db2.gz GGKDMITZVYTXNE-UHFFFAOYSA-N 1 0 318.396 2.168 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000077729472 401827979 /nfs/dbraw/zinc/82/79/79/401827979.db2.gz OUVZGMHFCABSES-ZDUSSCGKSA-N 1 0 324.469 2.392 10 0 DEAERO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000130361902 401828571 /nfs/dbraw/zinc/82/85/71/401828571.db2.gz SDHBGUZQIZIRIM-UHFFFAOYSA-N 1 0 312.373 2.333 10 0 DEAERO C[C@@H](CO)[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000077756559 401829277 /nfs/dbraw/zinc/82/92/77/401829277.db2.gz WGOSWUFAUNFVNI-GJZGRUSLSA-N 1 0 319.449 2.099 10 0 DEAERO C[C@@H](CO)[C@H](C)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000077786924 401831937 /nfs/dbraw/zinc/83/19/37/401831937.db2.gz HWKRVOZZLSEFML-XGUBFFRZSA-N 1 0 313.486 2.059 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000115585405 401832359 /nfs/dbraw/zinc/83/23/59/401832359.db2.gz RWROHVIWLRGYPJ-CYBMUJFWSA-N 1 0 316.492 2.327 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)NCc2nccs2)ccc1F ZINC000115694213 401835375 /nfs/dbraw/zinc/83/53/75/401835375.db2.gz ZRQOYWUGVJFIEP-UHFFFAOYSA-N 1 0 322.409 2.343 10 0 DEAERO CN1C[C@H]([NH2+]Cc2csc(Br)c2)CCC1=O ZINC000077900138 401835916 /nfs/dbraw/zinc/83/59/16/401835916.db2.gz XFQXVTAURDOINL-SECBINFHSA-N 1 0 303.225 2.221 10 0 DEAERO C[C@H]1CC(NC(=O)c2ccccc2OCC[NH+](C)C)C[C@H](C)O1 ZINC000130675972 401837144 /nfs/dbraw/zinc/83/71/44/401837144.db2.gz BNDYGGWRJBTLBC-KBPBESRZSA-N 1 0 320.433 2.313 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(CC(F)F)CC1 ZINC000130746524 401837795 /nfs/dbraw/zinc/83/77/95/401837795.db2.gz ZZJIDQDEMBGNHO-CQSZACIVSA-N 1 0 317.424 2.049 10 0 DEAERO CC[C@@H]1CN(c2cc(C)nc(C3CC3)n2)CC[N@@H+]1CCOC ZINC000116261035 401846689 /nfs/dbraw/zinc/84/66/89/401846689.db2.gz PTQTUTSTDIHBFK-OAHLLOKOSA-N 1 0 304.438 2.209 10 0 DEAERO COc1ccc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000078377787 401848495 /nfs/dbraw/zinc/84/84/95/401848495.db2.gz GSDPPHOSAQEWOC-OAHLLOKOSA-N 1 0 307.438 2.471 10 0 DEAERO CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116311009 401848594 /nfs/dbraw/zinc/84/85/94/401848594.db2.gz SBMDIERBGKFGGM-INIZCTEOSA-N 1 0 320.481 2.350 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cncc(OCCO)n2)C1 ZINC000131524764 401851604 /nfs/dbraw/zinc/85/16/04/401851604.db2.gz HOILCNFNXSGRFF-HUUCEWRRSA-N 1 0 322.453 2.018 10 0 DEAERO C[C@@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@@H](C)O1 ZINC000078554515 401855670 /nfs/dbraw/zinc/85/56/70/401855670.db2.gz JXNHWSZJMWNFMP-HUUCEWRRSA-N 1 0 311.470 2.460 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2)C[C@H]1CC ZINC000116771774 401858456 /nfs/dbraw/zinc/85/84/56/401858456.db2.gz QGEFPQAXRSNCKS-QGZVFWFLSA-N 1 0 322.424 2.328 10 0 DEAERO COCCOC1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000116886314 401863167 /nfs/dbraw/zinc/86/31/67/401863167.db2.gz USKLSHZIOBBTAW-UHFFFAOYSA-N 1 0 308.422 2.334 10 0 DEAERO COC(=O)[C@@H](O)C1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000132750307 401873067 /nfs/dbraw/zinc/87/30/67/401873067.db2.gz NTMWVKQOVPXEKE-PBHICJAKSA-N 1 0 305.418 2.111 10 0 DEAERO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117045661 401867886 /nfs/dbraw/zinc/86/78/86/401867886.db2.gz ZQUOHACUABOASH-OWCLPIDISA-N 1 0 311.470 2.173 10 0 DEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000132509393 401868487 /nfs/dbraw/zinc/86/84/87/401868487.db2.gz RMBDOUFDIKTUQH-KGLIPLIRSA-N 1 0 306.454 2.456 10 0 DEAERO CCOc1ccc(OCCNC(=O)C[N@@H+]2CCCC2(C)C)cc1 ZINC000077382522 401812940 /nfs/dbraw/zinc/81/29/40/401812940.db2.gz IJONAQKJBKJBRT-UHFFFAOYSA-N 1 0 320.433 2.455 10 0 DEAERO COc1ccccc1/C=C/CN1CC[NH+](CC(C)(C)O)CC1 ZINC000129984432 401814246 /nfs/dbraw/zinc/81/42/46/401814246.db2.gz VBVCUUCOTRNMQS-SOFGYWHQSA-N 1 0 304.434 2.097 10 0 DEAERO CC(C)OC(=O)c1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1 ZINC000135040963 401925170 /nfs/dbraw/zinc/92/51/70/401925170.db2.gz QAVLMHYCGDEWTL-CJNGLKHVSA-N 1 0 318.417 2.338 10 0 DEAERO C[C@@H]([NH2+]CC(C)(C)O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000087010927 401925716 /nfs/dbraw/zinc/92/57/16/401925716.db2.gz CSWOUEHJEALCBG-CHWSQXEVSA-N 1 0 300.443 2.383 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCCO1 ZINC000087159800 401928388 /nfs/dbraw/zinc/92/83/88/401928388.db2.gz OUBIBHDXYXHJBL-IRXDYDNUSA-N 1 0 304.434 2.235 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000119205284 401933019 /nfs/dbraw/zinc/93/30/19/401933019.db2.gz BDSPKYWWLAKVRO-HIFRSBDPSA-N 1 0 305.422 2.191 10 0 DEAERO CN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079459297 401873313 /nfs/dbraw/zinc/87/33/13/401873313.db2.gz HLXYLKFQYURDJV-CQSZACIVSA-N 1 0 305.397 2.451 10 0 DEAERO CC[C@H]1CN(C(=O)Cc2cc(C)ccc2C)CC[N@@H+]1CCOC ZINC000117301542 401873645 /nfs/dbraw/zinc/87/36/45/401873645.db2.gz NABTYFCJNWVYIC-SFHVURJKSA-N 1 0 318.461 2.415 10 0 DEAERO COc1cccc(N2CCC[C@@H]([NH2+]Cc3cncn3C)C2)c1 ZINC000117390220 401875604 /nfs/dbraw/zinc/87/56/04/401875604.db2.gz ODSGPODYOBCROK-CQSZACIVSA-N 1 0 300.406 2.187 10 0 DEAERO CCCCCCNC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000079566667 401876878 /nfs/dbraw/zinc/87/68/78/401876878.db2.gz SVKVLGAMDARKPI-HNNXBMFYSA-N 1 0 311.470 2.461 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC000032227844 401877778 /nfs/dbraw/zinc/87/77/78/401877778.db2.gz XWEQNQZWNPKQHW-UHFFFAOYSA-N 1 0 312.413 2.461 10 0 DEAERO CCOc1c(F)cccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079683853 401879456 /nfs/dbraw/zinc/87/94/56/401879456.db2.gz YCLUTJUXFHEOGS-LBPRGKRZSA-N 1 0 306.381 2.439 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000133333301 401882071 /nfs/dbraw/zinc/88/20/71/401882071.db2.gz HHQZSRYOLWUAOG-HNNXBMFYSA-N 1 0 319.449 2.402 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(C)s1 ZINC000133493121 401888798 /nfs/dbraw/zinc/88/87/98/401888798.db2.gz PGXYYSAKYYQONN-GFCCVEGCSA-N 1 0 304.481 2.359 10 0 DEAERO Cc1csc(CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000133575886 401891311 /nfs/dbraw/zinc/89/13/11/401891311.db2.gz YLKAGIHLVZYPAX-CYBMUJFWSA-N 1 0 310.467 2.371 10 0 DEAERO O=C(Cc1ccc(O)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000133696459 401893620 /nfs/dbraw/zinc/89/36/20/401893620.db2.gz IISUEGYLKFIKJR-MRXNPFEDSA-N 1 0 302.418 2.412 10 0 DEAERO CC(C)(C)NC(=O)CN(CCCO)Cc1cccc(Cl)c1 ZINC000134296580 401901286 /nfs/dbraw/zinc/90/12/86/401901286.db2.gz KAUDWPPTWHPIJP-UHFFFAOYSA-N 1 0 312.841 2.439 10 0 DEAERO CCCC(=O)OC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C1CC1 ZINC000036031011 401901509 /nfs/dbraw/zinc/90/15/09/401901509.db2.gz NBDKODUBPGHYJN-MRXNPFEDSA-N 1 0 321.417 2.364 10 0 DEAERO CC[C@@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)C(=O)OC ZINC000084371774 401905478 /nfs/dbraw/zinc/90/54/78/401905478.db2.gz BGYJJLUBFAEYSX-CYBMUJFWSA-N 1 0 318.373 2.176 10 0 DEAERO CCCOc1cccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000118800538 401908374 /nfs/dbraw/zinc/90/83/74/401908374.db2.gz HMLJLZRAPNYCFI-INIZCTEOSA-N 1 0 321.421 2.270 10 0 DEAERO CCOc1cc(C)ccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000118807169 401909010 /nfs/dbraw/zinc/90/90/10/401909010.db2.gz BSCDPPUXYPMNLF-AWEZNQCLSA-N 1 0 321.421 2.188 10 0 DEAERO CC(C)COCCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037234095 401911556 /nfs/dbraw/zinc/91/15/56/401911556.db2.gz IWQBJDFKBZTSOW-CYBMUJFWSA-N 1 0 314.451 2.047 10 0 DEAERO CC[C@H](C(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1)[NH+](C)C ZINC000134798538 401915064 /nfs/dbraw/zinc/91/50/64/401915064.db2.gz OMGTUYVNUBIPHF-CVEARBPZSA-N 1 0 308.397 2.374 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(F)c(C)c2)CC1 ZINC000085584063 401917893 /nfs/dbraw/zinc/91/78/93/401917893.db2.gz LFUIXPFAUGAQDA-CQSZACIVSA-N 1 0 309.385 2.055 10 0 DEAERO CCC(C)(C)NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134879661 401917969 /nfs/dbraw/zinc/91/79/69/401917969.db2.gz ZOTXLGHWNPFLES-ZBFHGGJFSA-N 1 0 307.482 2.240 10 0 DEAERO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000085792784 401919268 /nfs/dbraw/zinc/91/92/68/401919268.db2.gz YJRGJWVMYVLYCB-ZDUSSCGKSA-N 1 0 316.492 2.160 10 0 DEAERO CC(C)[C@@H](CNC(=O)Nc1nncs1)[NH+]1CCC(C)CC1 ZINC000043129269 401937062 /nfs/dbraw/zinc/93/70/62/401937062.db2.gz YAFHMFUPPJMXTF-GFCCVEGCSA-N 1 0 311.455 2.416 10 0 DEAERO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2nc(C)no2)s1 ZINC000089519005 401950666 /nfs/dbraw/zinc/95/06/66/401950666.db2.gz KTSAIKXMHPICJE-SECBINFHSA-N 1 0 310.423 2.225 10 0 DEAERO COc1cc([C@H](C)[NH2+]CCc2nc(C)no2)cc(OC)c1OC ZINC000089518810 401950699 /nfs/dbraw/zinc/95/06/99/401950699.db2.gz JHQMAZLLLXHFQN-JTQLQIEISA-N 1 0 321.377 2.297 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cncc(F)c1 ZINC000089732200 401959382 /nfs/dbraw/zinc/95/93/82/401959382.db2.gz UWCHAPMSUQTHGJ-SWLSCSKDSA-N 1 0 301.369 2.330 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1cccs1 ZINC000136076079 401959426 /nfs/dbraw/zinc/95/94/26/401959426.db2.gz VEHXNXWKPJDUQG-LSDHHAIUSA-N 1 0 321.490 2.265 10 0 DEAERO COc1cc(Br)ccc1CNCCC[NH+](C)C ZINC000136218665 401963069 /nfs/dbraw/zinc/96/30/69/401963069.db2.gz MGZRQHVORQVKBG-UHFFFAOYSA-N 1 0 301.228 2.499 10 0 DEAERO CCN(CCc1nccs1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000119809660 401967390 /nfs/dbraw/zinc/96/73/90/401967390.db2.gz LYIFHXAISXLPEZ-UHFFFAOYSA-N 1 0 324.494 2.449 10 0 DEAERO COc1cc(C)cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1O ZINC000137106864 401979050 /nfs/dbraw/zinc/97/90/50/401979050.db2.gz XLPIWWAAJCHOCF-CYBMUJFWSA-N 1 0 308.422 2.415 10 0 DEAERO Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000137153792 401979581 /nfs/dbraw/zinc/97/95/81/401979581.db2.gz YHPDPSHDNSNMPY-ZBFHGGJFSA-N 1 0 302.422 2.016 10 0 DEAERO C[C@@H]1CCC[C@@H](NC(=O)CN2CCC[N@@H+](C3CC3)CC2)[C@@H]1C ZINC000145754582 401991644 /nfs/dbraw/zinc/99/16/44/401991644.db2.gz MXGIERQLMWWQQY-BFYDXBDKSA-N 1 0 307.482 2.097 10 0 DEAERO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](CCn2cccn2)C1 ZINC000135457590 401941005 /nfs/dbraw/zinc/94/10/05/401941005.db2.gz ZPXPPFXRUBPYDG-IAGOWNOFSA-N 1 0 313.401 2.162 10 0 DEAERO CC[C@H]1CCCCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000119334393 401942180 /nfs/dbraw/zinc/94/21/80/401942180.db2.gz JXJSMANAUHZOIG-INIZCTEOSA-N 1 0 311.470 2.463 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1ccc2c(c1)CCC2 ZINC000048284684 401996907 /nfs/dbraw/zinc/99/69/07/401996907.db2.gz HAESXKZVHZFRRG-UHFFFAOYSA-N 1 0 302.418 2.018 10 0 DEAERO CCC[C@H](C(=O)NC[C@H](C)N1CCc2ccccc21)[NH+](C)C ZINC000135650087 401949394 /nfs/dbraw/zinc/94/93/94/401949394.db2.gz UIUVYLJMDUHCMU-WMLDXEAASA-N 1 0 303.450 2.284 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(COC)cc1 ZINC000049039907 402010979 /nfs/dbraw/zinc/01/09/79/402010979.db2.gz PJDVIJBUVLJWOA-CQSZACIVSA-N 1 0 307.438 2.363 10 0 DEAERO COc1ccccc1/C=C/C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000121025924 402011519 /nfs/dbraw/zinc/01/15/19/402011519.db2.gz SSJUCUIROSFXSB-YXMMZVCTSA-N 1 0 302.418 2.115 10 0 DEAERO CC(C)n1cnnc1[C@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000093200972 402012739 /nfs/dbraw/zinc/01/27/39/402012739.db2.gz QECRSEDGJMACFK-GJZGRUSLSA-N 1 0 324.469 2.214 10 0 DEAERO Cc1ccccc1[C@H](C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000049172804 402013701 /nfs/dbraw/zinc/01/37/01/402013701.db2.gz DEKSCPILBCYQFF-HOTGVXAUSA-N 1 0 319.449 2.202 10 0 DEAERO CCC(C)(CC)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000121131619 402017203 /nfs/dbraw/zinc/01/72/03/402017203.db2.gz WERDPKQORQAMQD-UHFFFAOYSA-N 1 0 324.513 2.423 10 0 DEAERO CCC[C@@H](C(=O)NC[C@H](C)Oc1cccc(OC)c1)[NH+](C)C ZINC000121194047 402019164 /nfs/dbraw/zinc/01/91/64/402019164.db2.gz MEYKZTWDOJDOCB-BBRMVZONSA-N 1 0 308.422 2.309 10 0 DEAERO CCC(=O)c1ccc(OCC(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000049946461 402022869 /nfs/dbraw/zinc/02/28/69/402022869.db2.gz KPMDESUHGGQZQX-UHFFFAOYSA-N 1 0 320.433 2.362 10 0 DEAERO CC(=O)Nc1cccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151243516 402025092 /nfs/dbraw/zinc/02/50/92/402025092.db2.gz AYJRVYALBMOQBT-KBXCAEBGSA-N 1 0 319.449 2.142 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N(C)C)cc1F ZINC000151314179 402029097 /nfs/dbraw/zinc/02/90/97/402029097.db2.gz HMBMYJQFTILHQX-TZMCWYRMSA-N 1 0 305.397 2.200 10 0 DEAERO COCCC1(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCC1 ZINC000151548119 402042527 /nfs/dbraw/zinc/04/25/27/402042527.db2.gz MDTPKOQIIBGDAF-QGZVFWFLSA-N 1 0 318.461 2.482 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCCN(C)c2ccccc2)C1 ZINC000052500090 402042989 /nfs/dbraw/zinc/04/29/89/402042989.db2.gz RKFQHIWOHNOFRM-INIZCTEOSA-N 1 0 318.465 2.296 10 0 DEAERO O=C1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)CCN1 ZINC000054638715 402070382 /nfs/dbraw/zinc/07/03/82/402070382.db2.gz AAANZGWSMLEWQJ-UHFFFAOYSA-N 1 0 320.396 2.323 10 0 DEAERO C[C@H]1CN(Cc2nc3cc(F)ccc3o2)C[C@@H]1N1CCOCC1 ZINC000152176750 402079781 /nfs/dbraw/zinc/07/97/81/402079781.db2.gz JCRDPWAXFQZSCZ-WFASDCNBSA-N 1 0 319.380 2.119 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCOCc2ccccc2)[C@@H](C)C1 ZINC000122608248 402086493 /nfs/dbraw/zinc/08/64/93/402086493.db2.gz KPCCPDJTKJHABO-RDJZCZTQSA-N 1 0 319.449 2.231 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(c2cccs2)CC1 ZINC000122610459 402087145 /nfs/dbraw/zinc/08/71/45/402087145.db2.gz QPPGICKVPXYWEO-AWEZNQCLSA-N 1 0 322.478 2.110 10 0 DEAERO Cc1[nH]nc2ncc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cc12 ZINC000122723268 402091885 /nfs/dbraw/zinc/09/18/85/402091885.db2.gz YZUWWBMFPYXKRK-INIZCTEOSA-N 1 0 323.400 2.299 10 0 DEAERO C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000057777162 402096937 /nfs/dbraw/zinc/09/69/37/402096937.db2.gz CIPCDMIVPLZEFE-RDJZCZTQSA-N 1 0 323.481 2.461 10 0 DEAERO CC[C@@](C)(O)C[NH+]1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000123045113 402107705 /nfs/dbraw/zinc/10/77/05/402107705.db2.gz JTEGUDQKVDBQJB-QGZVFWFLSA-N 1 0 310.413 2.113 10 0 DEAERO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N2CCc3ccccc32)CCN1C ZINC000123211090 402115911 /nfs/dbraw/zinc/11/59/11/402115911.db2.gz LTLAFSBOPROUNZ-WBVHZDCISA-N 1 0 315.461 2.380 10 0 DEAERO Cc1cc(NC(=O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)on1 ZINC000152935037 402117642 /nfs/dbraw/zinc/11/76/42/402117642.db2.gz APFSTOCWDCPVGE-CQSZACIVSA-N 1 0 307.394 2.345 10 0 DEAERO COC(=O)c1[nH]c(C)c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000153015651 402122396 /nfs/dbraw/zinc/12/23/96/402122396.db2.gz PTELHMVVMKRKCL-NSHDSACASA-N 1 0 321.421 2.022 10 0 DEAERO COc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1OC ZINC000123265690 402118867 /nfs/dbraw/zinc/11/88/67/402118867.db2.gz GIVUAVUBWYLFHN-CABCVRRESA-N 1 0 322.449 2.384 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2OCCO3)[C@H](C)C1 ZINC000122128080 402062883 /nfs/dbraw/zinc/06/28/83/402062883.db2.gz YRVQCOFQSLSQSN-UKRRQHHQSA-N 1 0 318.417 2.260 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccc(Br)cc1 ZINC000054305686 402065866 /nfs/dbraw/zinc/06/58/66/402065866.db2.gz RZQSQHAQVJQHSP-GFCCVEGCSA-N 1 0 311.223 2.455 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccc(Br)cc1 ZINC000054305685 402066122 /nfs/dbraw/zinc/06/61/22/402066122.db2.gz RZQSQHAQVJQHSP-LBPRGKRZSA-N 1 0 311.223 2.455 10 0 DEAERO CSc1ccc(O[C@H](C)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000151930611 402066562 /nfs/dbraw/zinc/06/65/62/402066562.db2.gz NUIUFHLKWFEIJC-OLZOCXBDSA-N 1 0 308.447 2.386 10 0 DEAERO CCOCCCNC(=O)[C@H](C)[NH+]1CCC(OCC(C)C)CC1 ZINC000054327355 402066677 /nfs/dbraw/zinc/06/66/77/402066677.db2.gz OGKRQJRUCXPCEZ-HNNXBMFYSA-N 1 0 314.470 2.055 10 0 DEAERO CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1c(C)noc1C ZINC000123370087 402124509 /nfs/dbraw/zinc/12/45/09/402124509.db2.gz LXFQHULINMYVCL-LSDHHAIUSA-N 1 0 318.421 2.398 10 0 DEAERO O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)Nc1ccccc1F ZINC000097474486 402125697 /nfs/dbraw/zinc/12/56/97/402125697.db2.gz NXZADRRGJYZMJF-AWEZNQCLSA-N 1 0 305.397 2.324 10 0 DEAERO CC[N@H+](CC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1)C1CC1 ZINC000153101883 402126590 /nfs/dbraw/zinc/12/65/90/402126590.db2.gz JFKJUAZTBZYVHH-CYBMUJFWSA-N 1 0 306.410 2.341 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)nn(C(F)F)c2C)C1 ZINC000065619211 402126768 /nfs/dbraw/zinc/12/67/68/402126768.db2.gz PWMNOIKJNFYIDS-LBPRGKRZSA-N 1 0 314.380 2.038 10 0 DEAERO Cc1cc(F)cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000153134152 402129006 /nfs/dbraw/zinc/12/90/06/402129006.db2.gz GYKGWXDQOKKGSI-CYBMUJFWSA-N 1 0 321.396 2.063 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)N2CCc3sccc3C2)CC[N@@H+]1C ZINC000123462914 402129384 /nfs/dbraw/zinc/12/93/84/402129384.db2.gz NUWCQTXDVOODJZ-DZGCQCFKSA-N 1 0 321.490 2.047 10 0 DEAERO CN(CCc1ccc(F)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000098026848 402134524 /nfs/dbraw/zinc/13/45/24/402134524.db2.gz BFMQEQUJALGFJC-HNNXBMFYSA-N 1 0 319.424 2.494 10 0 DEAERO Cc1cccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1Cl ZINC000153444383 402145643 /nfs/dbraw/zinc/14/56/43/402145643.db2.gz LEYLJSZFKMNKBQ-LBPRGKRZSA-N 1 0 311.813 2.443 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)[C@H](c1ccccc1)C1CC1 ZINC000123700954 402142613 /nfs/dbraw/zinc/14/26/13/402142613.db2.gz YDACJACMOITQCX-GOSISDBHSA-N 1 0 316.445 2.409 10 0 DEAERO COc1ccccc1OCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123710603 402142670 /nfs/dbraw/zinc/14/26/70/402142670.db2.gz CLDDLDHZBDBSDA-KBPBESRZSA-N 1 0 306.406 2.015 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000123894105 402153261 /nfs/dbraw/zinc/15/32/61/402153261.db2.gz QMHHBXKYQQGFSJ-FUHWJXTLSA-N 1 0 313.449 2.087 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(F)cc2F)CC[N@@H+]1C ZINC000123997192 402158741 /nfs/dbraw/zinc/15/87/41/402158741.db2.gz NHUUGHULCVKOTK-YPMHNXCESA-N 1 0 311.376 2.318 10 0 DEAERO Cc1ccc([C@@H]2CSCCN2C(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000262512131 292224219 /nfs/dbraw/zinc/22/42/19/292224219.db2.gz JSJCVVRVZFXXCD-CJNGLKHVSA-N 1 0 304.459 2.467 10 0 DEAERO COc1cc(OC)cc([C@@H]2CC[N@H+](CCC3OCCO3)C2)c1 ZINC000124598753 402187458 /nfs/dbraw/zinc/18/74/58/402187458.db2.gz NECFRSWFGGXGCP-CYBMUJFWSA-N 1 0 307.390 2.256 10 0 DEAERO COc1ccc2c(c1)CCN2C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000154058150 402189582 /nfs/dbraw/zinc/18/95/82/402189582.db2.gz XAHZJWIVGOFBRU-UHFFFAOYSA-N 1 0 308.381 2.081 10 0 DEAERO COc1ccc(OC)c(C[NH+]2CCC(C(=O)N(C)C)CC2)c1 ZINC000102683392 402170213 /nfs/dbraw/zinc/17/02/13/402170213.db2.gz HRVJCLFEVIFSMH-UHFFFAOYSA-N 1 0 306.406 2.004 10 0 DEAERO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCCn1ccnc1)c1ccccc1 ZINC000124319731 402174555 /nfs/dbraw/zinc/17/45/55/402174555.db2.gz ZDMATJKRADKLBF-CVEARBPZSA-N 1 0 314.433 2.471 10 0 DEAERO CCOC[C@@H](O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000069277660 402217762 /nfs/dbraw/zinc/21/77/62/402217762.db2.gz BASMUZNWSLHJTQ-GWCFXTLKSA-N 1 0 302.212 2.497 10 0 DEAERO CCC[C@@H](C(=O)N1CCO[C@@](C)(c2ccccc2)C1)[NH+](C)C ZINC000154567038 402219111 /nfs/dbraw/zinc/21/91/11/402219111.db2.gz VJABEEXVDGZRCS-FUHWJXTLSA-N 1 0 304.434 2.491 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@H]1COc2ccccc21 ZINC000106912620 402222261 /nfs/dbraw/zinc/22/22/61/402222261.db2.gz NMKPPBGNKMSQBQ-DLBZAZTESA-N 1 0 310.397 2.409 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-c2ncon2)cc1 ZINC000107219988 402228399 /nfs/dbraw/zinc/22/83/99/402228399.db2.gz ZATBJVSLCIXVAF-CYBMUJFWSA-N 1 0 314.389 2.341 10 0 DEAERO CCCO[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000108562005 402257203 /nfs/dbraw/zinc/25/72/03/402257203.db2.gz YISSUMHUPKKDFZ-JKSUJKDBSA-N 1 0 311.470 2.461 10 0 DEAERO c1ccc(-c2cc(N3CC[NH2+]CC3)nc(-c3cnccn3)n2)cc1 ZINC000070451648 402260352 /nfs/dbraw/zinc/26/03/52/402260352.db2.gz HAMVTJNZMBRMMG-UHFFFAOYSA-N 1 0 318.384 2.010 10 0 DEAERO [NH3+]C1CCN(c2ncccc2-c2nc(-c3cccnc3)no2)CC1 ZINC000070458034 402260832 /nfs/dbraw/zinc/26/08/32/402260832.db2.gz MQBSKXYVOSAIQJ-UHFFFAOYSA-N 1 0 322.372 2.121 10 0 DEAERO [NH3+][C@H]1CCCN(c2ncccc2-c2nc(-c3cccnc3)no2)C1 ZINC000070458035 402260846 /nfs/dbraw/zinc/26/08/46/402260846.db2.gz JCRMBEUBJXEBLC-ZDUSSCGKSA-N 1 0 322.372 2.121 10 0 DEAERO CC(C)(C)c1noc(-c2cccnc2N2CCC[C@H]([NH3+])C2)n1 ZINC000070457994 402260879 /nfs/dbraw/zinc/26/08/79/402260879.db2.gz SXOUMEPJLRAWMY-NSHDSACASA-N 1 0 301.394 2.357 10 0 DEAERO O=C1CNC(=O)N1CCC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000124936907 402204472 /nfs/dbraw/zinc/20/44/72/402204472.db2.gz LQTQFORUMICEDM-UHFFFAOYSA-N 1 0 319.405 2.356 10 0 DEAERO CN1CCO[C@H](CNC(=O)N(CC2CCCCC2)C2CC2)C1 ZINC000105281187 402207806 /nfs/dbraw/zinc/20/78/06/402207806.db2.gz DRGQJASFNNAQED-MRXNPFEDSA-N 1 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/nfs/dbraw/zinc/48/57/42/402485742.db2.gz WRVPNFWFVPWADN-GDBMZVCRSA-N 1 0 306.406 2.362 10 0 DEAERO CCCc1cc(=O)n2nc(NC[C@H](C)[NH+](CC)CC)sc2n1 ZINC000178338940 402486468 /nfs/dbraw/zinc/48/64/68/402486468.db2.gz WPTSKJHKVTZSEQ-NSHDSACASA-N 1 0 323.466 2.246 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC000245779234 402487568 /nfs/dbraw/zinc/48/75/68/402487568.db2.gz UADXZEHWTLIRHP-OAHLLOKOSA-N 1 0 322.449 2.246 10 0 DEAERO CCSCCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000167408234 402491448 /nfs/dbraw/zinc/49/14/48/402491448.db2.gz PRAFYCLLEPGGSZ-LLVKDONJSA-N 1 0 302.465 2.128 10 0 DEAERO COc1ccc([C@H](C)C[N@@H+]2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000245867695 402492560 /nfs/dbraw/zinc/49/25/60/402492560.db2.gz QRVXRWLDQARHTO-PMPSAXMXSA-N 1 0 306.450 2.186 10 0 DEAERO CC1(C)[C@H]([NH2+]Cc2ccc(NC(N)=O)cc2)[C@H]2CCCO[C@H]21 ZINC000245873245 402493503 /nfs/dbraw/zinc/49/35/03/402493503.db2.gz JSSOCTRANGNYIM-RBSFLKMASA-N 1 0 303.406 2.470 10 0 DEAERO O=C(NCCCc1ccccn1)N1CCC([NH+]2CCCC2)CC1 ZINC000178435663 402497985 /nfs/dbraw/zinc/49/79/85/402497985.db2.gz XVLKNOVOMGADFB-UHFFFAOYSA-N 1 0 316.449 2.284 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCc2ccc(Cl)nc2)C1 ZINC000245969913 402501492 /nfs/dbraw/zinc/50/14/92/402501492.db2.gz ADVUMVCAYGPTDM-TZMCWYRMSA-N 1 0 324.856 2.305 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[C@H](C)CO1 ZINC000246048241 402505623 /nfs/dbraw/zinc/50/56/23/402505623.db2.gz XUCRRNSRTIHMJS-SRABZTEZSA-N 1 0 317.433 2.251 10 0 DEAERO C[C@H](O)CC[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000246726725 402542508 /nfs/dbraw/zinc/54/25/08/402542508.db2.gz MONFQVMHKPWQNC-WDEREUQCSA-N 1 0 322.232 2.436 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1Cl ZINC000246782191 402544269 /nfs/dbraw/zinc/54/42/69/402544269.db2.gz BFCWWCKZSKBRKX-RYUDHWBXSA-N 1 0 314.838 2.197 10 0 DEAERO Cc1nn(C)cc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000189619596 402547919 /nfs/dbraw/zinc/54/79/19/402547919.db2.gz BWSDFUAKZLMPEX-UHFFFAOYSA-N 1 0 305.426 2.257 10 0 DEAERO CC[C@H]1CN(C(=O)c2ccc(C)c(F)c2)CC[N@@H+]1C[C@H](C)O ZINC000246919821 402549723 /nfs/dbraw/zinc/54/97/23/402549723.db2.gz QOFYEDWCWUGMJB-ZFWWWQNUSA-N 1 0 308.397 2.051 10 0 DEAERO CC[C@@H]1CN(C(=O)c2ccc(C)c(F)c2)CC[N@@H+]1C[C@H](C)O ZINC000246919801 402549765 /nfs/dbraw/zinc/54/97/65/402549765.db2.gz QOFYEDWCWUGMJB-DZGCQCFKSA-N 1 0 308.397 2.051 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(F)cc2nccnc21 ZINC000246995528 402553056 /nfs/dbraw/zinc/55/30/56/402553056.db2.gz FIMHAGMBDUYWTM-YPMHNXCESA-N 1 0 314.364 2.078 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1nc(C)c(Cl)c1C ZINC000247021512 402553725 /nfs/dbraw/zinc/55/37/25/402553725.db2.gz SRDPHGFWPNJATB-KGLIPLIRSA-N 1 0 324.856 2.239 10 0 DEAERO CC(C)COc1ncccc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000171294515 402575022 /nfs/dbraw/zinc/57/50/22/402575022.db2.gz RLOIOKZRCDMMOM-UHFFFAOYSA-N 1 0 317.433 2.427 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000171074266 402554837 /nfs/dbraw/zinc/55/48/37/402554837.db2.gz QTKWJVDSCUDADF-HNNXBMFYSA-N 1 0 316.405 2.203 10 0 DEAERO CC(C)c1ccc([C@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000178920627 402555694 /nfs/dbraw/zinc/55/56/94/402555694.db2.gz RIVMTPVXSKRFGZ-KSSFIOAISA-N 1 0 321.465 2.483 10 0 DEAERO CC[C@H]1CN(C(=O)N[C@H](C)c2ccc(C)o2)CC[N@@H+]1CCOC ZINC000247260291 402561316 /nfs/dbraw/zinc/56/13/16/402561316.db2.gz YJYWVMUXFUCSPO-CABCVRRESA-N 1 0 323.437 2.401 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3c2CCCC3)[C@@H](C)C1 ZINC000247391174 402565559 /nfs/dbraw/zinc/56/55/59/402565559.db2.gz MAUNJBYBIJIEMC-WFASDCNBSA-N 1 0 304.438 2.091 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Br)o1 ZINC000247492824 402569600 /nfs/dbraw/zinc/56/96/00/402569600.db2.gz UISOAWGHZJELHW-ZJUUUORDSA-N 1 0 313.195 2.351 10 0 DEAERO C[NH+](C)Cc1ccccc1CNC(=O)c1cnn2c1CCCC2 ZINC000179082279 402571267 /nfs/dbraw/zinc/57/12/67/402571267.db2.gz ATGYOOLICNMXLO-UHFFFAOYSA-N 1 0 312.417 2.211 10 0 DEAERO COc1ccc(CCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000247556519 402572155 /nfs/dbraw/zinc/57/21/55/402572155.db2.gz ZSAODORFGPBCOK-HOCLYGCPSA-N 1 0 302.418 2.323 10 0 DEAERO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)cc1 ZINC000247567880 402572529 /nfs/dbraw/zinc/57/25/29/402572529.db2.gz RLIRDOGBIXNPBL-IJEWVQPXSA-N 1 0 321.417 2.333 10 0 DEAERO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000246181065 402516283 /nfs/dbraw/zinc/51/62/83/402516283.db2.gz RLPOOSGROQRZRC-XHSDSOJGSA-N 1 0 307.482 2.050 10 0 DEAERO C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178625145 402519058 /nfs/dbraw/zinc/51/90/58/402519058.db2.gz UWZOKVBHIUXRFI-HUUCEWRRSA-N 1 0 324.428 2.342 10 0 DEAERO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2cncn2C)C1 ZINC000246248768 402520504 /nfs/dbraw/zinc/52/05/04/402520504.db2.gz IZTUDPUKWSWPPB-HZPDHXFCSA-N 1 0 313.401 2.199 10 0 DEAERO Cc1cc(C)cc(NC(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178637847 402520962 /nfs/dbraw/zinc/52/09/62/402520962.db2.gz SRZXZJPBWZPPHB-NVXWUHKLSA-N 1 0 301.434 2.410 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCCOC2)CC1 ZINC000170787883 402525073 /nfs/dbraw/zinc/52/50/73/402525073.db2.gz BMGQKIMAUNOIDS-HNNXBMFYSA-N 1 0 317.433 2.194 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2C[C@H]2C)CC1 ZINC000170793295 402526214 /nfs/dbraw/zinc/52/62/14/402526214.db2.gz OQQIUOQGUOCCFX-HIFRSBDPSA-N 1 0 302.422 2.358 10 0 DEAERO Cc1ccc(OCCCNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170836126 402531347 /nfs/dbraw/zinc/53/13/47/402531347.db2.gz HDGIUMPMMZAFQH-HNNXBMFYSA-N 1 0 305.422 2.109 10 0 DEAERO Cc1cc(CCNC(=O)NCC[N@@H+](C)C(C)C)cc(C)c1O ZINC000189256223 402532674 /nfs/dbraw/zinc/53/26/74/402532674.db2.gz LDBWUZCZRDVRHG-UHFFFAOYSA-N 1 0 307.438 2.191 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2nc3ccccc3s2)C1 ZINC000170861279 402534409 /nfs/dbraw/zinc/53/44/09/402534409.db2.gz WMAFRDNVRAPCHQ-NSHDSACASA-N 1 0 304.419 2.142 10 0 DEAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000170873759 402536577 /nfs/dbraw/zinc/53/65/77/402536577.db2.gz UOLMBPFZWHUNMC-LLVKDONJSA-N 1 0 323.245 2.318 10 0 DEAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCc1ccccn1 ZINC000179185034 402578824 /nfs/dbraw/zinc/57/88/24/402578824.db2.gz KAGUVIIPBBFHAV-JKSUJKDBSA-N 1 0 318.465 2.434 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@H]1c1ccccc1 ZINC000248139946 402583423 /nfs/dbraw/zinc/58/34/23/402583423.db2.gz YGNLRVZHBPTTOO-SJLPKXTDSA-N 1 0 324.428 2.464 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)N2CCOC(C)(C)C2)[C@H]1c1ccccc1 ZINC000179276404 402583656 /nfs/dbraw/zinc/58/36/56/402583656.db2.gz SJPDDIOABZMFNI-JKSUJKDBSA-N 1 0 317.433 2.252 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CCS1 ZINC000171429942 402587255 /nfs/dbraw/zinc/58/72/55/402587255.db2.gz RSFRYGRTVUCZAK-ZBFHGGJFSA-N 1 0 321.490 2.306 10 0 DEAERO C[C@@]1(O)CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000248370873 402587881 /nfs/dbraw/zinc/58/78/81/402587881.db2.gz YAXJUEFJVQIWKL-QMTHXVAHSA-N 1 0 320.216 2.190 10 0 DEAERO O=C(c1csc([C@@H]2CCCO2)n1)N1CCC[N@@H+](C2CC2)CC1 ZINC000179390892 402588033 /nfs/dbraw/zinc/58/80/33/402588033.db2.gz GAOBXVYLOMOVLY-AWEZNQCLSA-N 1 0 321.446 2.305 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1Cc2ccccc2C1 ZINC000248397761 402588927 /nfs/dbraw/zinc/58/89/27/402588927.db2.gz MCNRAJIASZWVIC-MSOLQXFVSA-N 1 0 313.445 2.422 10 0 DEAERO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000248400082 402589033 /nfs/dbraw/zinc/58/90/33/402589033.db2.gz WVMOPILJSDRPME-ZIAGYGMSSA-N 1 0 305.340 2.429 10 0 DEAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCCOC1 ZINC000171551352 402593309 /nfs/dbraw/zinc/59/33/09/402593309.db2.gz PSXOPPMGPCZGSG-KRWDZBQOSA-N 1 0 317.433 2.129 10 0 DEAERO COc1cccc([C@@H](CNC(=O)C(C)(C)OC)[NH+]2CCCC2)c1 ZINC000171586288 402598096 /nfs/dbraw/zinc/59/80/96/402598096.db2.gz KEMCCOJPHILBCZ-MRXNPFEDSA-N 1 0 320.433 2.373 10 0 DEAERO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)[C@H]1CCOC1 ZINC000179743354 402599746 /nfs/dbraw/zinc/59/97/46/402599746.db2.gz PMTGHRHQSFDFQN-KGLIPLIRSA-N 1 0 305.422 2.392 10 0 DEAERO Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000171617643 402602059 /nfs/dbraw/zinc/60/20/59/402602059.db2.gz QXSHUOIVNDBKGX-GUYCJALGSA-N 1 0 314.433 2.079 10 0 DEAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2cscn2)C1 ZINC000190477583 402604103 /nfs/dbraw/zinc/60/41/03/402604103.db2.gz CXLVCEXTEMUEFF-HNNXBMFYSA-N 1 0 302.447 2.492 10 0 DEAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccon2)C1 ZINC000190509801 402606217 /nfs/dbraw/zinc/60/62/17/402606217.db2.gz QKVBIFPLIJCVSO-AWEZNQCLSA-N 1 0 315.377 2.055 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC(C)(C)C)CC1 ZINC000171659135 402606726 /nfs/dbraw/zinc/60/67/26/402606726.db2.gz XXHYDYJMZAYFIP-IYBDPMFKSA-N 1 0 324.513 2.233 10 0 DEAERO Cc1cccc(C)c1OC[C@H](O)C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000248823200 402609867 /nfs/dbraw/zinc/60/98/67/402609867.db2.gz JMXOSSFRTCNOQU-BFYDXBDKSA-N 1 0 307.434 2.277 10 0 DEAERO CSC[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190604586 402613138 /nfs/dbraw/zinc/61/31/38/402613138.db2.gz XLOYVIYGNNMHQE-HOCLYGCPSA-N 1 0 321.490 2.361 10 0 DEAERO CCS(=O)(=O)CCCCCN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000190633190 402614918 /nfs/dbraw/zinc/61/49/18/402614918.db2.gz LEVGCPGNXIHVDX-CABCVRRESA-N 1 0 304.500 2.006 10 0 DEAERO C[C@@H](O)C[N@H+](Cc1csc(Br)c1)[C@H](C)CO ZINC000248934189 402615165 /nfs/dbraw/zinc/61/51/65/402615165.db2.gz MYKXYIXHMSMUTC-RKDXNWHRSA-N 1 0 308.241 2.074 10 0 DEAERO COc1ccnc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1OC ZINC000190641261 402615502 /nfs/dbraw/zinc/61/55/02/402615502.db2.gz BFKQNWVRMPFPGP-CQSZACIVSA-N 1 0 316.405 2.268 10 0 DEAERO COc1cccc([C@H]2[C@H](NC(=O)N(C)OC)CC[N@@H+]2C2CC2)c1 ZINC000248978647 402616724 /nfs/dbraw/zinc/61/67/24/402616724.db2.gz FGFNPTWBZVMMMM-CVEARBPZSA-N 1 0 319.405 2.176 10 0 DEAERO FC(F)(F)COCC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180849730 402628426 /nfs/dbraw/zinc/62/84/26/402628426.db2.gz NBSZFJCBEHZBKZ-NSHDSACASA-N 1 0 318.343 2.371 10 0 DEAERO COc1ccc(O)cc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000249114895 402621229 /nfs/dbraw/zinc/62/12/29/402621229.db2.gz NQPAATHCTHFZPQ-CHWSQXEVSA-N 1 0 306.406 2.251 10 0 DEAERO CCc1cc(NC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC)ccc1C ZINC000180598820 402621602 /nfs/dbraw/zinc/62/16/02/402621602.db2.gz VOUCEKAFLVMRJY-CQSZACIVSA-N 1 0 319.449 2.342 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NCc1ccco1)c1cccc(-n2ccnc2)c1 ZINC000180659321 402622521 /nfs/dbraw/zinc/62/25/21/402622521.db2.gz ULRXETIXQLSRJI-CQSZACIVSA-N 1 0 324.384 2.432 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000249606407 402636501 /nfs/dbraw/zinc/63/65/01/402636501.db2.gz ZUEWPODXDNTQRO-DXWTWGPWSA-N 1 0 310.482 2.410 10 0 DEAERO CC[NH+](CC)CCCCNC(=O)c1cccc(-n2cncn2)c1 ZINC000172222312 402645763 /nfs/dbraw/zinc/64/57/63/402645763.db2.gz LHTNAZNQPYCFGE-UHFFFAOYSA-N 1 0 315.421 2.119 10 0 DEAERO CCN1CC[NH+](CCCCNC(=O)N[C@H](C)C2CCCC2)CC1 ZINC000172182756 402643955 /nfs/dbraw/zinc/64/39/55/402643955.db2.gz GOOPRMNZCIGCRG-MRXNPFEDSA-N 1 0 324.513 2.282 10 0 DEAERO O=C(C[C@H]1OCCc2ccccc21)N1CCC[N@@H+](C2CC2)CC1 ZINC000172207351 402645309 /nfs/dbraw/zinc/64/53/09/402645309.db2.gz WXVBBPHQOWDITC-GOSISDBHSA-N 1 0 314.429 2.387 10 0 DEAERO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172480142 402658474 /nfs/dbraw/zinc/65/84/74/402658474.db2.gz RUGIDPFRDVUZGY-ARFHVFGLSA-N 1 0 323.481 2.317 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](C)C(C)C)C[C@H]1CC ZINC000172503933 402659343 /nfs/dbraw/zinc/65/93/43/402659343.db2.gz RSFZDYITZFVGTQ-HZPDHXFCSA-N 1 0 313.486 2.421 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(C)(C)CC(=O)OC ZINC000181498182 402647062 /nfs/dbraw/zinc/64/70/62/402647062.db2.gz UPBRRPKSDKKHBQ-ZIAGYGMSSA-N 1 0 310.438 2.051 10 0 DEAERO C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)C1 ZINC000251687242 402648726 /nfs/dbraw/zinc/64/87/26/402648726.db2.gz ONIUKKUFJMMNJC-YYIAUSFCSA-N 1 0 318.465 2.461 10 0 DEAERO CO[C@@H]1C[N@H+](CC(=O)N2c3ccccc3C[C@H]2C)CC[C@@H]1C ZINC000251842940 402650085 /nfs/dbraw/zinc/65/00/85/402650085.db2.gz MVSPUNRDSFWHSQ-JJRVBVJISA-N 1 0 302.418 2.321 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@H](O)COc2c(C)cccc2C)CC[C@H]1C ZINC000251887170 402650668 /nfs/dbraw/zinc/65/06/68/402650668.db2.gz QBEMHJPJZMDPEN-XOKHGSTOSA-N 1 0 307.434 2.400 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[C@H]1C ZINC000251871163 402650833 /nfs/dbraw/zinc/65/08/33/402650833.db2.gz PAFHNRGQJPDBBW-LVQVYYBASA-N 1 0 311.470 2.173 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC[C@H]1C ZINC000251871167 402650930 /nfs/dbraw/zinc/65/09/30/402650930.db2.gz PAFHNRGQJPDBBW-XUWVNRHRSA-N 1 0 311.470 2.173 10 0 DEAERO C[C@H](C(=O)NCc1ccccc1F)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346891 402651471 /nfs/dbraw/zinc/65/14/71/402651471.db2.gz MIZRYNHOAGIPGC-CQSZACIVSA-N 1 0 319.424 2.001 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](CCO)C2CCCCC2)C1 ZINC000252653258 402659969 /nfs/dbraw/zinc/65/99/69/402659969.db2.gz RMSFBNJZWHOOLP-HZPDHXFCSA-N 1 0 311.470 2.101 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181704255 402654800 /nfs/dbraw/zinc/65/48/00/402654800.db2.gz NLEPUURHWDFTMP-NVXWUHKLSA-N 1 0 321.509 2.440 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000191264142 402655480 /nfs/dbraw/zinc/65/54/80/402655480.db2.gz ZCXDWDXFSVHVGG-LPMFXHHGSA-N 1 0 316.445 2.488 10 0 DEAERO CNC(=O)c1ccc(C[N@H+](C)C[C@H](O)C2CCCCC2)cc1 ZINC000191267648 402655496 /nfs/dbraw/zinc/65/54/96/402655496.db2.gz KOCBUTVBTXIFBV-KRWDZBQOSA-N 1 0 304.434 2.419 10 0 DEAERO Cc1cccc([C@@H](C[NH2+]Cc2cocn2)N2CCOCC2)c1 ZINC000192285522 402721146 /nfs/dbraw/zinc/72/11/46/402721146.db2.gz MKYHUUBGOPOBHI-QGZVFWFLSA-N 1 0 301.390 2.146 10 0 DEAERO C[NH+](C)C1CCN(C(=O)Nc2ccc3c(c2)NC(=O)CC3)CC1 ZINC000173762414 402711032 /nfs/dbraw/zinc/71/10/32/402711032.db2.gz NZLLWVDCCXGDSO-UHFFFAOYSA-N 1 0 316.405 2.129 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(CO)cc2)C[C@H]1CC ZINC000182751997 402714208 /nfs/dbraw/zinc/71/42/08/402714208.db2.gz LGVDTJJKKOJYHM-GOSISDBHSA-N 1 0 306.450 2.112 10 0 DEAERO CC1(C)CN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC[C@H]1[NH3+] ZINC000261709036 402716079 /nfs/dbraw/zinc/71/60/79/402716079.db2.gz BTRYBWJGRHMSMY-IUODEOHRSA-N 1 0 322.836 2.477 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1F ZINC000173886428 402716835 /nfs/dbraw/zinc/71/68/35/402716835.db2.gz XJIJKOCGFHLKOG-WFASDCNBSA-N 1 0 314.426 2.141 10 0 DEAERO COCCN(CCOc1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261769329 402717216 /nfs/dbraw/zinc/71/72/16/402717216.db2.gz MNGSSAMAKQPGQG-QGZVFWFLSA-N 1 0 310.413 2.153 10 0 DEAERO COC(=O)c1ccc(F)c(CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000181903817 402660398 /nfs/dbraw/zinc/66/03/98/402660398.db2.gz ZCCTWXUBWUDRDK-UHFFFAOYSA-N 1 0 306.381 2.282 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000253202727 402661847 /nfs/dbraw/zinc/66/18/47/402661847.db2.gz CSKJYRJADICPIT-SWLSCSKDSA-N 1 0 323.412 2.316 10 0 DEAERO Cc1c([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cnn1C(C)(C)C ZINC000191344693 402662712 /nfs/dbraw/zinc/66/27/12/402662712.db2.gz CBBDVMLUNLYIIY-CXAGYDPISA-N 1 0 309.454 2.386 10 0 DEAERO CC(C)OC(=O)CC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182195401 402671562 /nfs/dbraw/zinc/67/15/62/402671562.db2.gz ALDMZVYVUHAHMW-GFCCVEGCSA-N 1 0 313.419 2.082 10 0 DEAERO O=C(CC/C=C/c1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172749027 402673169 /nfs/dbraw/zinc/67/31/69/402673169.db2.gz BSSZJOBCFPHQMU-PYJQOMOHSA-N 1 0 314.429 2.413 10 0 DEAERO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000182223880 402673938 /nfs/dbraw/zinc/67/39/38/402673938.db2.gz OOXZQFBWCHTXLI-IJEWVQPXSA-N 1 0 309.431 2.456 10 0 DEAERO COCC[NH+]1CCC(NC(=O)NC/C=C\c2ccccc2)CC1 ZINC000254981204 402674319 /nfs/dbraw/zinc/67/43/19/402674319.db2.gz PPWPOEWRNLYEGW-YVMONPNESA-N 1 0 317.433 2.110 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)Nc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000172847474 402677951 /nfs/dbraw/zinc/67/79/51/402677951.db2.gz YSTDMVZQIVOROH-IAQYHMDHSA-N 1 0 311.376 2.318 10 0 DEAERO O=C(NC/C=C\c1ccccc1)NCCCC[NH+]1CCOCC1 ZINC000255171502 402681296 /nfs/dbraw/zinc/68/12/96/402681296.db2.gz KPAFMLKSMGARCT-TWGQIWQCSA-N 1 0 317.433 2.111 10 0 DEAERO CCOc1cc(/C=C/C(=O)N[C@H]2CCC[N@H+](CC)C2)ccc1O ZINC000182388886 402685804 /nfs/dbraw/zinc/68/58/04/402685804.db2.gz BFDOBEIPTUMTPA-HQPKTYMTSA-N 1 0 318.417 2.405 10 0 DEAERO CCOc1cc(/C=C/C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1O ZINC000182391073 402686315 /nfs/dbraw/zinc/68/63/15/402686315.db2.gz LEFQQOKKIRKCQL-VFADXPBXSA-N 1 0 316.401 2.111 10 0 DEAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000191691565 402686472 /nfs/dbraw/zinc/68/64/72/402686472.db2.gz XBQAUXDYFFCJHB-BYCMXARLSA-N 1 0 308.809 2.460 10 0 DEAERO Fc1cc2cccnc2c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173932459 402720259 /nfs/dbraw/zinc/72/02/59/402720259.db2.gz ZMQNUSSGTTZPFJ-QGZVFWFLSA-N 1 0 315.392 2.280 10 0 DEAERO CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000255584775 402691863 /nfs/dbraw/zinc/69/18/63/402691863.db2.gz BSFLUWOLSHBLMQ-MOTUXRJWSA-N 1 0 309.454 2.211 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000255894219 402698261 /nfs/dbraw/zinc/69/82/61/402698261.db2.gz CFUWULLDTQJUBI-VIHMKRCTSA-N 1 0 316.401 2.371 10 0 DEAERO Cc1cccnc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182564121 402700151 /nfs/dbraw/zinc/70/01/51/402700151.db2.gz YSPJFCDUJZVJGB-JWTNVVGKSA-N 1 0 314.477 2.133 10 0 DEAERO O=C1[C@H]([NH2+][C@@H](CO)c2ccccc2)CCN1c1ccccc1F ZINC000182904690 402725813 /nfs/dbraw/zinc/72/58/13/402725813.db2.gz PRQAIFCFHKLDGH-CVEARBPZSA-N 1 0 314.360 2.254 10 0 DEAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)NCC1CCCCC1 ZINC000182913024 402726721 /nfs/dbraw/zinc/72/67/21/402726721.db2.gz QCAUOMIRMRODLH-PBHICJAKSA-N 1 0 304.434 2.395 10 0 DEAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)NCc1ccccc1F ZINC000182920571 402727074 /nfs/dbraw/zinc/72/70/74/402727074.db2.gz XPLUNDLUSIZOKS-GUYCJALGSA-N 1 0 316.376 2.154 10 0 DEAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000182922627 402727343 /nfs/dbraw/zinc/72/73/43/402727343.db2.gz MISKYXGRRBVNBE-CXAGYDPISA-N 1 0 316.376 2.154 10 0 DEAERO C[C@@H](C(=O)N1CCO[C@H](c2ccccc2Cl)C1)C1C[NH2+]C1 ZINC000262583011 402727744 /nfs/dbraw/zinc/72/77/44/402727744.db2.gz UUUQLRURFRNJIL-ABAIWWIYSA-N 1 0 308.809 2.095 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000262744196 402729816 /nfs/dbraw/zinc/72/98/16/402729816.db2.gz DBYNCUAIDGWPCY-WFASDCNBSA-N 1 0 310.463 2.260 10 0 DEAERO C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1cccnc1 ZINC000174171093 402730112 /nfs/dbraw/zinc/73/01/12/402730112.db2.gz OHESIYXNOXXJKO-QAPCUYQASA-N 1 0 311.429 2.474 10 0 DEAERO CC(C)CCn1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nn1 ZINC000174254981 402733808 /nfs/dbraw/zinc/73/38/08/402733808.db2.gz UJNLAIIHKYNIDH-GOOCMWNKSA-N 1 0 319.453 2.069 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccccc1C(F)(F)F ZINC000262825977 402734047 /nfs/dbraw/zinc/73/40/47/402734047.db2.gz PWBDNCBCRZLYDF-GWCFXTLKSA-N 1 0 300.324 2.362 10 0 DEAERO COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183119926 402740688 /nfs/dbraw/zinc/74/06/88/402740688.db2.gz MCNVJFMSOAALKV-GUYCJALGSA-N 1 0 318.417 2.132 10 0 DEAERO Cc1cc(C[C@@H](C)[NH2+]Cc2ccc3c(c2)sc(=O)n3C)[nH]n1 ZINC000192621524 402741283 /nfs/dbraw/zinc/74/12/83/402741283.db2.gz FFSVBCOXEVLJRN-SNVBAGLBSA-N 1 0 316.430 2.352 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnn(CC2CC2)c1 ZINC000174481752 402743489 /nfs/dbraw/zinc/74/34/89/402743489.db2.gz RGAGMKCZLVQONL-CYBMUJFWSA-N 1 0 305.426 2.289 10 0 DEAERO Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000183193736 402746459 /nfs/dbraw/zinc/74/64/59/402746459.db2.gz JJPOIBKEVTXLBW-ZOBUZTSGSA-N 1 0 320.433 2.036 10 0 DEAERO CN(C)c1noc(CN(CCO)[C@@H]2CCCc3ccccc32)n1 ZINC000192758001 402747908 /nfs/dbraw/zinc/74/79/08/402747908.db2.gz IILIWSIVHXLTFR-OAHLLOKOSA-N 1 0 316.405 2.008 10 0 DEAERO Cc1cnn([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)c1 ZINC000174660667 402750718 /nfs/dbraw/zinc/75/07/18/402750718.db2.gz PFFBGDBRCOEVTG-KRWDZBQOSA-N 1 0 318.465 2.475 10 0 DEAERO Cc1ccc(CSCc2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263283907 402754373 /nfs/dbraw/zinc/75/43/73/402754373.db2.gz USIJVZXTMABJEP-CQSZACIVSA-N 1 0 318.446 2.388 10 0 DEAERO Cc1ccc(C(=O)Nc2cccc(CNC(=O)C3C[NH2+]C3)c2)cc1 ZINC000263287586 402754764 /nfs/dbraw/zinc/75/47/64/402754764.db2.gz KXLJLCOKYOQOAZ-UHFFFAOYSA-N 1 0 323.396 2.083 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)CCC(C)=O)CC1 ZINC000192885810 402754938 /nfs/dbraw/zinc/75/49/38/402754938.db2.gz ZYBDAXIORGFAMW-UHFFFAOYSA-N 1 0 303.406 2.136 10 0 DEAERO CC(C)OCCCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000183328822 402757244 /nfs/dbraw/zinc/75/72/44/402757244.db2.gz UYZDTBMCRIKQMF-KRWDZBQOSA-N 1 0 306.450 2.481 10 0 DEAERO COC(=O)c1coc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000183370195 402760997 /nfs/dbraw/zinc/76/09/97/402760997.db2.gz XNTWCMVDOYEEFZ-AWEZNQCLSA-N 1 0 322.405 2.307 10 0 DEAERO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Oc1ccccc1 ZINC000174916107 402762688 /nfs/dbraw/zinc/76/26/88/402762688.db2.gz AEKKXJYEWSFKIX-JKSUJKDBSA-N 1 0 315.417 2.110 10 0 DEAERO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Oc1ccccc1 ZINC000174916127 402762835 /nfs/dbraw/zinc/76/28/35/402762835.db2.gz AEKKXJYEWSFKIX-HZPDHXFCSA-N 1 0 315.417 2.110 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@H](C)CO1 ZINC000183395678 402762962 /nfs/dbraw/zinc/76/29/62/402762962.db2.gz XUCRRNSRTIHMJS-MUIFIZLQSA-N 1 0 317.433 2.251 10 0 DEAERO COc1ncc(C)cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000174983962 402769256 /nfs/dbraw/zinc/76/92/56/402769256.db2.gz QZLQEEYMIXPMIS-CQSZACIVSA-N 1 0 318.421 2.491 10 0 DEAERO COc1ccc(CNC(=O)c2c[nH+]ccc2N(C)C)cc1OC ZINC000183464550 402769647 /nfs/dbraw/zinc/76/96/47/402769647.db2.gz JLJPTASPFCXSSF-UHFFFAOYSA-N 1 0 315.373 2.095 10 0 DEAERO Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@H](O)CN3CCCC3=O)C2)c1 ZINC000183473592 402770344 /nfs/dbraw/zinc/77/03/44/402770344.db2.gz RHWNSCAWMYFDSF-AEFFLSMTSA-N 1 0 316.445 2.076 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000193311921 402770346 /nfs/dbraw/zinc/77/03/46/402770346.db2.gz DUJXDXNASYFUDA-HUUCEWRRSA-N 1 0 303.450 2.456 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCc2ccccc21 ZINC000175044827 402774341 /nfs/dbraw/zinc/77/43/41/402774341.db2.gz GGLBXAXADKQFAV-IAGOWNOFSA-N 1 0 313.445 2.134 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cn1 ZINC000175049859 402774723 /nfs/dbraw/zinc/77/47/23/402774723.db2.gz KAPLLJUMDCNQSI-ZIAGYGMSSA-N 1 0 322.840 2.232 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccco2)no1 ZINC000175053976 402774930 /nfs/dbraw/zinc/77/49/30/402774930.db2.gz GAFFYZHIFQMKML-CHWSQXEVSA-N 1 0 302.378 2.388 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1(C)C ZINC000183582796 402778332 /nfs/dbraw/zinc/77/83/32/402778332.db2.gz YFEJQFAXSFJLST-LSDHHAIUSA-N 1 0 305.422 2.423 10 0 DEAERO CCc1cnc(CCNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000173991030 402723096 /nfs/dbraw/zinc/72/30/96/402723096.db2.gz NAUMNQDUBOVRSA-ZDUSSCGKSA-N 1 0 324.494 2.422 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCc3cccnc32)CC[N@@H+]1C ZINC000194450925 402798212 /nfs/dbraw/zinc/79/82/12/402798212.db2.gz WDAUDRHNOZRJGQ-VNQPRFMTSA-N 1 0 301.434 2.443 10 0 DEAERO O=C(CCn1cnc2ccccc21)N1CCC[N@@H+](C2CC2)CC1 ZINC000194506431 402800934 /nfs/dbraw/zinc/80/09/34/402800934.db2.gz BPCRTQXEVYBAKK-UHFFFAOYSA-N 1 0 312.417 2.123 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C)cc1C ZINC000175398856 402803027 /nfs/dbraw/zinc/80/30/27/402803027.db2.gz MSZDWWUXANSKPV-HNNXBMFYSA-N 1 0 310.463 2.408 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(C)ccc1F ZINC000175395762 402803043 /nfs/dbraw/zinc/80/30/43/402803043.db2.gz 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CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(S(C)(=O)=O)c1 ZINC000449032309 405508480 /nfs/dbraw/zinc/50/84/80/405508480.db2.gz XACXYWAFFYUMRA-INIZCTEOSA-N 1 0 324.490 2.396 10 0 DEAERO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000449577269 405622896 /nfs/dbraw/zinc/62/28/96/405622896.db2.gz DHOYYRCHMWFSPW-CVEARBPZSA-N 1 0 314.389 2.089 10 0 DEAERO C[C@@H](C[NH+](C)C)NC(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000458768606 405580098 /nfs/dbraw/zinc/58/00/98/405580098.db2.gz VKUFDFHQPQWGNN-JTQLQIEISA-N 1 0 313.804 2.497 10 0 DEAERO [NH3+]CCCOCCNC(=O)CCSc1ccccc1Cl ZINC000638658521 405599843 /nfs/dbraw/zinc/59/98/43/405599843.db2.gz VTJCCPOAJFGOAR-UHFFFAOYSA-N 1 0 316.854 2.304 10 0 DEAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000580545172 405639468 /nfs/dbraw/zinc/63/94/68/405639468.db2.gz FYVLMGXOOHYBHX-DOTOQJQBSA-N 1 0 321.417 2.176 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000638780270 405664930 /nfs/dbraw/zinc/66/49/30/405664930.db2.gz PDTUYLXXAQABIL-GXSJLCMTSA-N 1 0 307.444 2.281 10 0 DEAERO COC(=O)CC1(CC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CCCC1 ZINC000457085418 405688604 /nfs/dbraw/zinc/68/86/04/405688604.db2.gz HFLPEUVWJFJYJO-HNNXBMFYSA-N 1 0 324.465 2.441 10 0 DEAERO CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000638816104 405688964 /nfs/dbraw/zinc/68/89/64/405688964.db2.gz BBORYWBSCZQUFW-GOEBONIOSA-N 1 0 318.417 2.386 10 0 DEAERO [NH3+][C@@H]1CCCCCN(C(=O)c2occc2Br)C1 ZINC000638816735 405689006 /nfs/dbraw/zinc/68/90/06/405689006.db2.gz DYJJWSNYBXZITG-SECBINFHSA-N 1 0 301.184 2.386 10 0 DEAERO CC(=O)c1cccc(O[C@H](C)C(=O)N2CCCCC[C@H]([NH3+])C2)c1 ZINC000638816106 405689088 /nfs/dbraw/zinc/68/90/88/405689088.db2.gz BBORYWBSCZQUFW-ZBFHGGJFSA-N 1 0 318.417 2.386 10 0 DEAERO c1ccc([C@H]2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)O2)cc1 ZINC000423119710 405701215 /nfs/dbraw/zinc/70/12/15/405701215.db2.gz DINSVBQGIDZOLM-AKHDSKFASA-N 1 0 316.445 2.263 10 0 DEAERO Cn1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CCC3)C2=O)n1 ZINC000558696369 405692063 /nfs/dbraw/zinc/69/20/63/405692063.db2.gz UHUGSZYLQONHLW-KFWWJZLASA-N 1 0 302.422 2.084 10 0 DEAERO Cc1cn(-c2ccc(F)cc2)nc1C(=O)N(C)CCC[NH+](C)C ZINC000558715847 405695330 /nfs/dbraw/zinc/69/53/30/405695330.db2.gz QNIUHYMSGRBGNT-UHFFFAOYSA-N 1 0 318.396 2.344 10 0 DEAERO COc1cnc2ccccc2c1C(=O)N(C)CCC[NH+](C)C ZINC000558830870 405702471 /nfs/dbraw/zinc/70/24/71/405702471.db2.gz IECGLKNTGZNLOZ-UHFFFAOYSA-N 1 0 301.390 2.267 10 0 DEAERO [NH3+][C@H]1CCCCCN(C(=O)c2ccncc2Br)C1 ZINC000638840061 405706066 /nfs/dbraw/zinc/70/60/66/405706066.db2.gz TYFBHTLAOCYWFI-JTQLQIEISA-N 1 0 312.211 2.188 10 0 DEAERO CC[C@@](C)(NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000638858132 405720609 /nfs/dbraw/zinc/72/06/09/405720609.db2.gz LQRUNFSHGNDQCV-FUHWJXTLSA-N 1 0 303.450 2.141 10 0 DEAERO C[C@@H]1CN(C(=O)c2sccc2Br)C[C@H]1C[NH3+] ZINC000638885608 405741127 /nfs/dbraw/zinc/74/11/27/405741127.db2.gz CWOJWHFQWIXWLG-HTQZYQBOSA-N 1 0 303.225 2.177 10 0 DEAERO C[C@H]1CN(C(=O)Cc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000638891233 405743311 /nfs/dbraw/zinc/74/33/11/405743311.db2.gz TYKHYHLEYQIXEM-CMPLNLGQSA-N 1 0 311.223 2.045 10 0 DEAERO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000560365520 405799933 /nfs/dbraw/zinc/79/99/33/405799933.db2.gz CKSJFOMNZGXGEY-HOCLYGCPSA-N 1 0 304.434 2.426 10 0 DEAERO C[N@@H+](Cc1cccc(Br)c1)C[C@@H]1COCCO1 ZINC000450280998 405814868 /nfs/dbraw/zinc/81/48/68/405814868.db2.gz AFKVYDGVVUZXDE-CYBMUJFWSA-N 1 0 300.196 2.296 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)c2ccn(C)n2)CC1 ZINC000459276049 405831132 /nfs/dbraw/zinc/83/11/32/405831132.db2.gz DRZKLRMSQOHDPV-CQSZACIVSA-N 1 0 321.469 2.245 10 0 DEAERO C[NH+](C)CCCCC(=O)NCc1ccnc(OC(F)F)c1 ZINC000560819947 405872776 /nfs/dbraw/zinc/87/27/76/405872776.db2.gz MALGUTSYXXPLEN-UHFFFAOYSA-N 1 0 301.337 2.031 10 0 DEAERO CCn1nncc1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000459398126 405888488 /nfs/dbraw/zinc/88/84/88/405888488.db2.gz SVTSVPHCDOWPCR-LBPRGKRZSA-N 1 0 304.394 2.474 10 0 DEAERO CC(C)(O)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000633888084 405890766 /nfs/dbraw/zinc/89/07/66/405890766.db2.gz KOQNHZIGQTYNQK-INIZCTEOSA-N 1 0 304.434 2.318 10 0 DEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000423648099 405892742 /nfs/dbraw/zinc/89/27/42/405892742.db2.gz RHGJBLRTRDSXIG-GZMMTYOYSA-N 1 0 303.189 2.320 10 0 DEAERO O=S(=O)(NCC[NH2+][C@@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000584125709 405831365 /nfs/dbraw/zinc/83/13/65/405831365.db2.gz XVAUMGJQOBYWLD-JKSUJKDBSA-N 1 0 308.447 2.133 10 0 DEAERO COc1nsc(C[NH2+]CC[C@@H]2CCOC2)c1Br ZINC000639038386 405836401 /nfs/dbraw/zinc/83/64/01/405836401.db2.gz RXBAGIRDXBXZQB-MRVPVSSYSA-N 1 0 321.240 2.430 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)COCc2cccc(Cl)c2)C1 ZINC000457454913 405846396 /nfs/dbraw/zinc/84/63/96/405846396.db2.gz LHESMGUTTRNUIZ-AWEZNQCLSA-N 1 0 310.825 2.315 10 0 DEAERO COC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000530768859 405858628 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C=Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000451060460 406034649 /nfs/dbraw/zinc/03/46/49/406034649.db2.gz WYAAHUNBROTHLK-AWEZNQCLSA-N 1 0 308.447 2.482 10 0 DEAERO CCC[C@H](CCc1ccccc1)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459685935 406006391 /nfs/dbraw/zinc/00/63/91/406006391.db2.gz ANFKPBBNCBYXJM-SJORKVTESA-N 1 0 302.422 2.030 10 0 DEAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000451065450 406036645 /nfs/dbraw/zinc/03/66/45/406036645.db2.gz AIZDFFOWGYVSHX-BZNIZROVSA-N 1 0 305.353 2.002 10 0 DEAERO COc1cc(CNC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000639323359 406046047 /nfs/dbraw/zinc/04/60/47/406046047.db2.gz BCZDVKLEWQCDDB-UHFFFAOYSA-N 1 0 301.390 2.437 10 0 DEAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000459797705 406051128 /nfs/dbraw/zinc/05/11/28/406051128.db2.gz SSMFJEWCJBITQP-GJZGRUSLSA-N 1 0 304.415 2.408 10 0 DEAERO c1nc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)cc2c1OCCO2 ZINC000639344715 406057882 /nfs/dbraw/zinc/05/78/82/406057882.db2.gz BFIVYJFUHXRXAD-INIZCTEOSA-N 1 0 317.433 2.349 10 0 DEAERO c1nc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)cc2c1OCCO2 ZINC000639388785 406076320 /nfs/dbraw/zinc/07/63/20/406076320.db2.gz BGYUWWYWKXNUPE-RHSMWYFYSA-N 1 0 304.390 2.290 10 0 DEAERO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000479440642 406165527 /nfs/dbraw/zinc/16/55/27/406165527.db2.gz XDJYOMPTPWKHLK-AVGNSLFASA-N 1 0 314.451 2.025 10 0 DEAERO c1nc2n(n1)[C@H](C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1)CC2 ZINC000639527043 406129709 /nfs/dbraw/zinc/12/97/09/406129709.db2.gz MTFVDKFGFCUGRL-DLBZAZTESA-N 1 0 312.417 2.099 10 0 DEAERO c1nc2n(n1)[C@@H](CN(CC[NH+]1CCCCCC1)C1CCC1)CC2 ZINC000639648243 406188842 /nfs/dbraw/zinc/18/88/42/406188842.db2.gz MZKZMCADHCAPFX-QGZVFWFLSA-N 1 0 317.481 2.496 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000487261612 406220268 /nfs/dbraw/zinc/22/02/68/406220268.db2.gz BNMFMAGQNJNUKO-QWHCGFSZSA-N 1 0 316.243 2.213 10 0 DEAERO CC(=O)N1CCCc2cc(NC(=O)C[N@H+]3CC[C@@H](C)C3)ccc21 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[NH3+]C1(CC(=O)Nc2ccccn2)CCN(Cc2ccccc2)CC1 ZINC000638046824 406542665 /nfs/dbraw/zinc/54/26/65/406542665.db2.gz FZADSVAFJHLGJU-UHFFFAOYSA-N 1 0 324.428 2.404 10 0 DEAERO CCC1(CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CCC1 ZINC000637991814 406512773 /nfs/dbraw/zinc/51/27/73/406512773.db2.gz SYHQKDWHMMLFIH-INIZCTEOSA-N 1 0 303.450 2.142 10 0 DEAERO Cc1ccc(O)c(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)c1 ZINC000638200223 406619153 /nfs/dbraw/zinc/61/91/53/406619153.db2.gz CKEIXJWLANRNTA-OAHLLOKOSA-N 1 0 313.401 2.098 10 0 DEAERO C[C@@H](CNC(=O)NCCOCC1CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000572452905 406669802 /nfs/dbraw/zinc/66/98/02/406669802.db2.gz FUZFGYAGPKVLBT-GJZGRUSLSA-N 1 0 311.470 2.223 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC1(C2CC2)CCC1 ZINC000638310166 406690458 /nfs/dbraw/zinc/69/04/58/406690458.db2.gz OKHIGEMCGNFSEE-KRWDZBQOSA-N 1 0 315.461 2.142 10 0 DEAERO O=C([C@H]1Cc2ccc(Cl)cc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249411 406647806 /nfs/dbraw/zinc/64/78/06/406647806.db2.gz QMYOCAXXFZJUDN-ZENOOKHLSA-N 1 0 304.821 2.438 10 0 DEAERO CC[C@@H](C(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1)[NH+](C)C ZINC000133822960 286734513 /nfs/dbraw/zinc/73/45/13/286734513.db2.gz PPAMIYXMMYHEID-DYVFJYSZSA-N 1 0 320.433 2.360 10 0 DEAERO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000554264188 406789726 /nfs/dbraw/zinc/78/97/26/406789726.db2.gz NGNAAIGUDLZANV-VDHUWJSZSA-N 1 0 320.433 2.021 10 0 DEAERO O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c[nH+]cn2c1 ZINC000555785765 406853369 /nfs/dbraw/zinc/85/33/69/406853369.db2.gz IWVPKWCBSSYCFG-UHFFFAOYSA-N 1 0 322.368 2.423 10 0 DEAERO c1cc(-c2n[nH]cc2C[NH2+]CCc2nnc3n2CCC3)cs1 ZINC000555360904 406842556 /nfs/dbraw/zinc/84/25/56/406842556.db2.gz NPMMNRLNQFUYLD-UHFFFAOYSA-N 1 0 314.418 2.008 10 0 DEAERO CCC[NH2+]C[C@H](C)Cn1c(C)c(Br)c(C)nc1=O ZINC000128770374 195989868 /nfs/dbraw/zinc/98/98/68/195989868.db2.gz PYXXKWTXLBWSQS-VIFPVBQESA-N 1 0 316.243 2.258 10 0 DEAERO CC[C@@H](C)[NH2+]CCn1c(C)c(Br)c(C)nc1=O ZINC000128785706 195991473 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ZINC000129302757 196037841 /nfs/dbraw/zinc/03/78/41/196037841.db2.gz NRIJDKJDWIUQEY-UHFFFAOYSA-N 1 0 307.394 2.363 10 0 DEAERO CCOc1ccccc1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129382526 196043785 /nfs/dbraw/zinc/04/37/85/196043785.db2.gz KGEOYYXHSYNIDI-XYPWUTKMSA-N 1 0 302.418 2.417 10 0 DEAERO CCCC(=O)N1CCC[C@@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129421254 196046568 /nfs/dbraw/zinc/04/65/68/196046568.db2.gz BABURIBTYYOKBU-UYSNPLJNSA-N 1 0 323.481 2.014 10 0 DEAERO CC(C)(CC[NH2+]C1CC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000129487347 196052477 /nfs/dbraw/zinc/05/24/77/196052477.db2.gz HZCZVIHHQMFFPS-CYBMUJFWSA-N 1 0 302.484 2.216 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000129580471 196059251 /nfs/dbraw/zinc/05/92/51/196059251.db2.gz KDVRQVWBBGDTPU-ONGXEEELSA-N 1 0 312.211 2.466 10 0 DEAERO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H](C)CO)c1 ZINC000129615229 196062486 /nfs/dbraw/zinc/06/24/86/196062486.db2.gz YTBAJISCGXXPIT-AWEZNQCLSA-N 1 0 307.438 2.051 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000129631893 196063500 /nfs/dbraw/zinc/06/35/00/196063500.db2.gz FHUUOILTCRGMKS-JTQLQIEISA-N 1 0 312.211 2.481 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000130525669 196086664 /nfs/dbraw/zinc/08/66/64/196086664.db2.gz PIAIDILUMVLQQW-OIISXLGYSA-N 1 0 302.418 2.335 10 0 DEAERO O=C1C[C@H]([NH2+]CCCC(F)(F)F)C(=O)N1C1CCCCC1 ZINC000130546155 196089931 /nfs/dbraw/zinc/08/99/31/196089931.db2.gz QJSJXDYRJYCDDE-NSHDSACASA-N 1 0 306.328 2.379 10 0 DEAERO COc1ccc(C(N)=S)c(NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000130627747 196097206 /nfs/dbraw/zinc/09/72/06/196097206.db2.gz ZQGGCTKKVMBFEA-GFCCVEGCSA-N 1 0 307.463 2.473 10 0 DEAERO COc1ccc(C(N)=S)c(N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000130630884 196097286 /nfs/dbraw/zinc/09/72/86/196097286.db2.gz RPPPBHLLPSHBCF-GFCCVEGCSA-N 1 0 305.447 2.004 10 0 DEAERO CO[C@H]([C@@H]([NH3+])Cc1c(Br)c(C)nn1C)C(C)(C)C ZINC000130654274 196098846 /nfs/dbraw/zinc/09/88/46/196098846.db2.gz LYEKFGODVSRTHB-JOYOIKCWSA-N 1 0 318.259 2.422 10 0 DEAERO CC[NH2+]C[C@@H]1COCCN1Cc1ccc(Br)cc1 ZINC000130809819 196112344 /nfs/dbraw/zinc/11/23/44/196112344.db2.gz VBVVBSMCPOFYLT-CQSZACIVSA-N 1 0 313.239 2.259 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)C(=O)NCC(F)(F)F ZINC000130832275 196114102 /nfs/dbraw/zinc/11/41/02/196114102.db2.gz OVOUDOBQYCCHBV-GXSJLCMTSA-N 1 0 302.296 2.167 10 0 DEAERO O=C(c1cccc(F)c1Br)N1CCC[NH2+]CC1 ZINC000130910958 196122287 /nfs/dbraw/zinc/12/22/87/196122287.db2.gz QWWUFLUSXYRHOR-UHFFFAOYSA-N 1 0 301.159 2.024 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])c1c(F)c(F)c(F)c(F)c1F ZINC000130993718 196131092 /nfs/dbraw/zinc/13/10/92/196131092.db2.gz RKDIDVYKRZOYQX-YFKPBYRVSA-N 1 0 317.279 2.207 10 0 DEAERO CC[NH2+][C@H](c1cccc2c1OCCC2)C(C)(C)S(C)(=O)=O ZINC000131030712 196133682 /nfs/dbraw/zinc/13/36/82/196133682.db2.gz NTLDOARRTPGWSF-OAHLLOKOSA-N 1 0 311.447 2.485 10 0 DEAERO C[C@@]1(NC2=[NH+]CC3(CCCCC3)CS2)CCS(=O)(=O)C1 ZINC000131138067 196143510 /nfs/dbraw/zinc/14/35/10/196143510.db2.gz GIAJFLNLSUWRDG-CYBMUJFWSA-N 1 0 316.492 2.207 10 0 DEAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC[C@H](C)OCC)c1 ZINC000131230244 196152063 /nfs/dbraw/zinc/15/20/63/196152063.db2.gz CMAVAVVKOGXHNJ-QWHCGFSZSA-N 1 0 314.451 2.060 10 0 DEAERO Cc1cccc(NC(=O)[C@H]2CC[C@@H](C[NH3+])O2)c1Br ZINC000131382877 196164396 /nfs/dbraw/zinc/16/43/96/196164396.db2.gz NCEZWXJHDMSFGX-GXSJLCMTSA-N 1 0 313.195 2.202 10 0 DEAERO CCNc1nc(Cl)nc(N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000131582979 196181879 /nfs/dbraw/zinc/18/18/79/196181879.db2.gz OOBKLPPXVUPVJK-SNVBAGLBSA-N 1 0 300.838 2.345 10 0 DEAERO C[C@@H]1C[C@@H](N2C(=O)C3(CC3)N[C@H]2c2cccs2)CC[N@@H+]1C ZINC000131488897 196173228 /nfs/dbraw/zinc/17/32/28/196173228.db2.gz UPDQGJUCLDMSMH-MBNYWOFBSA-N 1 0 305.447 2.194 10 0 DEAERO [NH3+]CC1(CNS(=O)(=O)c2ccc(F)cc2F)CCCCC1 ZINC000131562008 196180078 /nfs/dbraw/zinc/18/00/78/196180078.db2.gz ANUKWMLPLJCMFA-UHFFFAOYSA-N 1 0 318.389 2.152 10 0 DEAERO CCCCC[C@](C)(C[NH3+])N1CCSC[C@@H]1S(=O)(=O)CC ZINC000131628212 196185083 /nfs/dbraw/zinc/18/50/83/196185083.db2.gz FRXLNUIRSXVHQD-UONOGXRCSA-N 1 0 322.540 2.094 10 0 DEAERO COC[C@@H](C)[C@@H](C[NH3+])N1CCN(c2ccccc2Cl)CC1 ZINC000131934332 196212115 /nfs/dbraw/zinc/21/21/15/196212115.db2.gz RHHCSIVPUFLUDM-CZUORRHYSA-N 1 0 311.857 2.072 10 0 DEAERO C[NH2+]Cc1ccc(F)c(S(=O)(=O)N2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000131765166 196197717 /nfs/dbraw/zinc/19/77/17/196197717.db2.gz ZIXGVJXDEZBOEQ-NEPJUHHUSA-N 1 0 314.426 2.212 10 0 DEAERO Cc1cc(Br)c(NC(=O)COCC[NH3+])cc1Cl ZINC000131813232 196200807 /nfs/dbraw/zinc/20/08/07/196200807.db2.gz QUBIKKRDTRQXDV-UHFFFAOYSA-N 1 0 321.602 2.325 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2CCC([NH3+])CC2)c1 ZINC000131850565 196203631 /nfs/dbraw/zinc/20/36/31/196203631.db2.gz WYKNIVMJLMVUCO-QPUFIGCCSA-N 1 0 315.417 2.281 10 0 DEAERO CSc1nc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2s1 ZINC000132093972 196225526 /nfs/dbraw/zinc/22/55/26/196225526.db2.gz XLCHEGIVKGVTJN-UHFFFAOYSA-N 1 0 323.443 2.465 10 0 DEAERO CCC[NH2+][C@@H](C)Cc1ccc(OCCCS(C)(=O)=O)cc1 ZINC000132091005 196226141 /nfs/dbraw/zinc/22/61/41/196226141.db2.gz MZMHSEXCKQMDHI-AWEZNQCLSA-N 1 0 313.463 2.431 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000132340049 196247054 /nfs/dbraw/zinc/24/70/54/196247054.db2.gz JHUYAGQUNNHPHP-HIJAYFPSSA-N 1 0 314.838 2.310 10 0 DEAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1sc2cccnc2c1N ZINC000132216436 196236105 /nfs/dbraw/zinc/23/61/05/196236105.db2.gz XLTQGLWWCIATDD-JTQLQIEISA-N 1 0 306.435 2.195 10 0 DEAERO Nc1c2ncccc2sc1C(=O)NCCC[NH+]1CCCC1 ZINC000132264413 196239841 /nfs/dbraw/zinc/23/98/41/196239841.db2.gz VZXAQGJIIAOSNS-UHFFFAOYSA-N 1 0 304.419 2.094 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCN(C)c2ccccc2)C1 ZINC000132325098 196245099 /nfs/dbraw/zinc/24/50/99/196245099.db2.gz RBTJOIOPNZAACH-WBVHZDCISA-N 1 0 318.465 2.151 10 0 DEAERO C[C@H]1N[C@@H](c2ccsc2)N(CC2([NH+](C)C)CCCC2)C1=O ZINC000132431835 196255156 /nfs/dbraw/zinc/25/51/56/196255156.db2.gz HDPREQFGVWISIV-TZMCWYRMSA-N 1 0 307.463 2.441 10 0 DEAERO COC[C@H](C)[C@H]1C[NH+]=C(N)N1c1ccccc1Br ZINC000132495832 196260258 /nfs/dbraw/zinc/26/02/58/196260258.db2.gz QBXVUFJKMUSSAW-JOYOIKCWSA-N 1 0 312.211 2.235 10 0 DEAERO CCC[N@@H+]1CCC[C@@](O)(c2c(Br)cnn2C)CC1 ZINC000132506894 196261297 /nfs/dbraw/zinc/26/12/97/196261297.db2.gz KJNQAMIWXSCTLZ-ZDUSSCGKSA-N 1 0 316.243 2.266 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H](COCc2ccc(Br)cc2F)O1 ZINC000132703628 196277573 /nfs/dbraw/zinc/27/75/73/196277573.db2.gz OGJDLLQLAPFXAI-SKDRFNHKSA-N 1 0 318.186 2.482 10 0 DEAERO CCOCc1nc(N(CC)Cc2cccs2)cc(NN)[nH+]1 ZINC000132785065 196283584 /nfs/dbraw/zinc/28/35/84/196283584.db2.gz QAYBXQRLOWGSCM-UHFFFAOYSA-N 1 0 307.423 2.387 10 0 DEAERO CCNc1ncc(Br)c(NCC[N@H+](C)CC)n1 ZINC000132837483 196289223 /nfs/dbraw/zinc/28/92/23/196289223.db2.gz MWKSQJOQWQWRRU-UHFFFAOYSA-N 1 0 302.220 2.035 10 0 DEAERO CCOCc1nc(N(CC(F)(F)F)C(C)C)cc(NN)[nH+]1 ZINC000132861982 196290805 /nfs/dbraw/zinc/29/08/05/196290805.db2.gz KKJXQXRLYYQXNB-UHFFFAOYSA-N 1 0 307.320 2.076 10 0 DEAERO COc1cc(C[N@H+](CC(N)=O)C2CCCC2)cc(Cl)c1O ZINC000132981837 196302024 /nfs/dbraw/zinc/30/20/24/196302024.db2.gz MJDJSHNQIDNTCP-UHFFFAOYSA-N 1 0 312.797 2.284 10 0 DEAERO COc1ccc(Br)cc1C[C@H](O)C1CC[NH2+]CC1 ZINC000132998886 196304063 /nfs/dbraw/zinc/30/40/63/196304063.db2.gz GONPOQXQTYLYPK-ZDUSSCGKSA-N 1 0 314.223 2.361 10 0 DEAERO COCc1nc(Nc2cccc(Br)c2)cc(NN)[nH+]1 ZINC000133082733 196309993 /nfs/dbraw/zinc/30/99/93/196309993.db2.gz GXGSXDOSCFXGHT-UHFFFAOYSA-N 1 0 324.182 2.415 10 0 DEAERO CC[C@H](CSC)NS(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000133235215 196323909 /nfs/dbraw/zinc/32/39/09/196323909.db2.gz XOTWAXHFWDPDCM-WCQYABFASA-N 1 0 316.492 2.387 10 0 DEAERO CC[C@@H](C(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1)[NH+](C)C ZINC000133822561 196338663 /nfs/dbraw/zinc/33/86/63/196338663.db2.gz PPAMIYXMMYHEID-GUYCJALGSA-N 1 0 320.433 2.360 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(Br)c1O ZINC000133823609 196338857 /nfs/dbraw/zinc/33/88/57/196338857.db2.gz SITSNBYNBNTGAB-GMSGAONNSA-N 1 0 301.184 2.467 10 0 DEAERO Cc1cc(C)cc(CCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000134038633 196355538 /nfs/dbraw/zinc/35/55/38/196355538.db2.gz XBOGQBUSQAXCTH-KRWDZBQOSA-N 1 0 304.434 2.025 10 0 DEAERO CC[NH2+][C@H](c1c(Cl)cnn1CCOC)[C@H]1CCO[C@@H]1C ZINC000134048171 196357042 /nfs/dbraw/zinc/35/70/42/196357042.db2.gz NPAJHRDUXAIPFA-MDZLAQPJSA-N 1 0 301.818 2.259 10 0 DEAERO CC(C)CCCNc1cnn(CC[NH+](C)C)c(=O)c1Cl ZINC000134088218 196360132 /nfs/dbraw/zinc/36/01/32/196360132.db2.gz XIIKCVGIDCNQGS-UHFFFAOYSA-N 1 0 300.834 2.306 10 0 DEAERO CC[NH+]1CCC(Nc2c(Cl)cnn(CC3CC3)c2=O)CC1 ZINC000134118952 196363456 /nfs/dbraw/zinc/36/34/56/196363456.db2.gz KKEYYSZDBCJYOQ-UHFFFAOYSA-N 1 0 310.829 2.203 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)c2cnc3onc(C(C)C)c3c2)C1 ZINC000134125900 196363728 /nfs/dbraw/zinc/36/37/28/196363728.db2.gz XDEBEABRYXECBM-GFCCVEGCSA-N 1 0 302.378 2.170 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cccc(N)c1Br ZINC000134129746 196364467 /nfs/dbraw/zinc/36/44/67/196364467.db2.gz XSPPLUXCEVIMNM-UHFFFAOYSA-N 1 0 314.227 2.055 10 0 DEAERO COC(=O)c1ccc(Cl)cc1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134490890 196396984 /nfs/dbraw/zinc/39/69/84/196396984.db2.gz SLKSWIJRDSTGBG-SNVBAGLBSA-N 1 0 310.781 2.455 10 0 DEAERO COCCN(C(=O)C[C@@H]([NH3+])CC(C)(C)C)[C@H]1CCSC1 ZINC000134830047 196422265 /nfs/dbraw/zinc/42/22/65/196422265.db2.gz NNLWXQKUPFEBEO-OLZOCXBDSA-N 1 0 302.484 2.121 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000136319592 196532210 /nfs/dbraw/zinc/53/22/10/196532210.db2.gz AKVQNLQMTASFHY-GFCCVEGCSA-N 1 0 311.813 2.354 10 0 DEAERO Cc1cnn([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)c1 ZINC000136817261 196553537 /nfs/dbraw/zinc/55/35/37/196553537.db2.gz WLTFOZVQSIKTID-MRXNPFEDSA-N 1 0 304.438 2.087 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NCCCc2ccccn2)CC1 ZINC000178968904 224879862 /nfs/dbraw/zinc/87/98/62/224879862.db2.gz JSLALRGELLUTSO-UHFFFAOYSA-N 1 0 318.465 2.434 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC2(CCO)CC2)cc1NC(C)=O ZINC000188076629 225008082 /nfs/dbraw/zinc/00/80/82/225008082.db2.gz FCXDZWBKIZBIRQ-LBPRGKRZSA-N 1 0 306.406 2.467 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)CCc2cccs2)CC[N@@H+]1C ZINC000195384112 225203952 /nfs/dbraw/zinc/20/39/52/225203952.db2.gz ZCPWSSPSNHCOFM-OLZOCXBDSA-N 1 0 316.492 2.035 10 0 DEAERO Cc1cccc2c1OCC[C@H]2NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000191895753 292605470 /nfs/dbraw/zinc/60/54/70/292605470.db2.gz LCXXZOFBUBGHNA-DZGCQCFKSA-N 1 0 303.406 2.164 10 0 DEAERO CC1(C)CCC[C@@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000572424252 292618439 /nfs/dbraw/zinc/61/84/39/292618439.db2.gz BBMMVVPEJBGPRE-ZIAGYGMSSA-N 1 0 302.484 2.216 10 0 DEAERO c1ccc2nc(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422704071 230170448 /nfs/dbraw/zinc/17/04/48/230170448.db2.gz OMEXSUNKYDCSRY-NZSAHSFTSA-N 1 0 311.429 2.482 10 0 DEAERO O[C@H](C[NH2+]CC[C@@H]1CCCO1)COCc1ccc(Cl)cc1 ZINC000038097149 424808051 /nfs/dbraw/zinc/80/80/51/424808051.db2.gz UNRRHFHIJQJZGM-CVEARBPZSA-N 1 0 313.825 2.376 10 0 DEAERO CC(=O)Nc1nc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000037917699 424808473 /nfs/dbraw/zinc/80/84/73/424808473.db2.gz AIIDPIYKGLAKFD-OCCSQVGLSA-N 1 0 308.451 2.066 10 0 DEAERO C[C@@H](CNC(=O)c1coc(Br)c1)[NH+]1CCCC1 ZINC000061423588 424841001 /nfs/dbraw/zinc/84/10/01/424841001.db2.gz SMPCURWEUPMJDE-VIFPVBQESA-N 1 0 301.184 2.256 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2cc(C)ccc2C)c1 ZINC000105881395 424849594 /nfs/dbraw/zinc/84/95/94/424849594.db2.gz RHTISLZSBHNXHM-OAHLLOKOSA-N 1 0 300.406 2.425 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2cc(C)ccc2C)c1 ZINC000105881396 424849700 /nfs/dbraw/zinc/84/97/00/424849700.db2.gz RHTISLZSBHNXHM-HNNXBMFYSA-N 1 0 300.406 2.425 10 0 DEAERO C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc3ccccc32)C[NH2+]1 ZINC000122161155 424854371 /nfs/dbraw/zinc/85/43/71/424854371.db2.gz QZAYPMSDCHNONB-GXTWGEPZSA-N 1 0 304.415 2.259 10 0 DEAERO c1ccc2c(c1)oc1c2ncnc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363197133 424854667 /nfs/dbraw/zinc/85/46/67/424854667.db2.gz HWTZBUIQVFSLFA-STQMWFEESA-N 1 0 324.384 2.651 10 0 DEAERO CCc1cccc(C)c1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000193732598 424871353 /nfs/dbraw/zinc/87/13/53/424871353.db2.gz IDPSEORAACATLU-UHFFFAOYSA-N 1 0 317.433 2.049 10 0 DEAERO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000194706745 424877961 /nfs/dbraw/zinc/87/79/61/424877961.db2.gz KMTFHKWJNMQSPL-HNNXBMFYSA-N 1 0 316.380 2.144 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2[S@@](=O)CC)C1 ZINC000194651052 424877968 /nfs/dbraw/zinc/87/79/68/424877968.db2.gz UPIIRURLLNEZGC-ZSEKCTLFSA-N 1 0 308.447 2.028 10 0 DEAERO C[C@]1(CNC(=O)C2CC(=O)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000153798798 424859774 /nfs/dbraw/zinc/85/97/74/424859774.db2.gz UGQXRRIWGVWDAN-GOSISDBHSA-N 1 0 300.402 2.136 10 0 DEAERO Cc1nc(N)nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379686928 424908155 /nfs/dbraw/zinc/90/81/55/424908155.db2.gz BYFJHDNUQYRWBW-SWLSCSKDSA-N 1 0 312.421 2.227 10 0 DEAERO c1coc(-c2noc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000386969322 424912674 /nfs/dbraw/zinc/91/26/74/424912674.db2.gz XXXQQOPMIZSRTP-OLZOCXBDSA-N 1 0 302.378 2.294 10 0 DEAERO C[C@H](O)CCCN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404219067 424925914 /nfs/dbraw/zinc/92/59/14/424925914.db2.gz WGUITJKECAIZRJ-YTQUADARSA-N 1 0 318.461 2.123 10 0 DEAERO CC(C)C[C@@H](C[NH3+])NC(=O)c1nscc1Br ZINC000404795638 424929583 /nfs/dbraw/zinc/92/95/83/424929583.db2.gz HRGCXAVKOAAULW-ZETCQYMHSA-N 1 0 306.229 2.009 10 0 DEAERO Cc1cccnc1CC[NH2+]C[C@H](O)COCc1ccccc1 ZINC000404818323 424929843 /nfs/dbraw/zinc/92/98/43/424929843.db2.gz LYKWLHBMDAGXBC-KRWDZBQOSA-N 1 0 300.402 2.100 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407316426 424932357 /nfs/dbraw/zinc/93/23/57/424932357.db2.gz POCDVOBHRMJPNN-XOKHGSTOSA-N 1 0 302.418 2.239 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccncc1OC ZINC000249000759 424886677 /nfs/dbraw/zinc/88/66/77/424886677.db2.gz ONCRASLXUBMDLI-ZIAGYGMSSA-N 1 0 320.437 2.277 10 0 DEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1ccc(Br)cc1 ZINC000310742810 424895402 /nfs/dbraw/zinc/89/54/02/424895402.db2.gz BAUXAHVLFVGKGM-ZDUSSCGKSA-N 1 0 313.239 2.481 10 0 DEAERO Cn1cc([C@@H]2OCCC[C@H]2C[NH2+]Cc2cccc(CO)c2)cn1 ZINC000657349243 425311693 /nfs/dbraw/zinc/31/16/93/425311693.db2.gz GQKHETQFFRPBSR-FUHWJXTLSA-N 1 0 315.417 2.170 10 0 DEAERO CC(C)[C@H](C)N(C(=O)NCCCC[NH+]1CCOCC1)C1CC1 ZINC000086365743 267390351 /nfs/dbraw/zinc/39/03/51/267390351.db2.gz YNHCGOYKCBQYOB-HNNXBMFYSA-N 1 0 311.470 2.317 10 0 DEAERO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)c(C)n1 ZINC000088250655 267397784 /nfs/dbraw/zinc/39/77/84/267397784.db2.gz FEMLWMVKYXVMJQ-UHFFFAOYSA-N 1 0 301.390 2.495 10 0 DEAERO CCn1ccnc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(OC)n1 ZINC000657651613 425382845 /nfs/dbraw/zinc/38/28/45/425382845.db2.gz JHLTVZPBTJZHGH-XJKSGUPXSA-N 1 0 316.405 2.174 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1CC(=O)Nc1c(Cl)cccc1Cl ZINC000311838921 268837077 /nfs/dbraw/zinc/83/70/77/268837077.db2.gz MCDQIDSQKXNJGF-KWQFWETISA-N 1 0 302.205 2.353 10 0 DEAERO Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333683940 268976571 /nfs/dbraw/zinc/97/65/71/268976571.db2.gz FLVZQKJGRRCPQU-OCCSQVGLSA-N 1 0 317.368 2.021 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCCCOCc1ccccc1 ZINC000390779847 269098036 /nfs/dbraw/zinc/09/80/36/269098036.db2.gz QCRJBZSVKAQVON-WBVHZDCISA-N 1 0 304.434 2.488 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397276974 269105568 /nfs/dbraw/zinc/10/55/68/269105568.db2.gz POQSTMFDXVPROP-WXHSDQCUSA-N 1 0 314.426 2.128 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H](CO)CC(F)F)C1 ZINC000496009448 269192590 /nfs/dbraw/zinc/19/25/90/269192590.db2.gz YOVMOLVHKVJFEW-VXGBXAGGSA-N 1 0 322.396 2.239 10 0 DEAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000249085910 274379799 /nfs/dbraw/zinc/37/97/99/274379799.db2.gz IUVVEARASCPDTC-NEWSRXKRSA-N 1 0 318.461 2.292 10 0 DEAERO Cc1ccc(C[NH2+]Cc2cncnc2)c(-n2cc(Cl)cn2)n1 ZINC000190306617 274742316 /nfs/dbraw/zinc/74/23/16/274742316.db2.gz IDDUVEMKHVPVPV-UHFFFAOYSA-N 1 0 314.780 2.309 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2c(C)cccc2C)c1 ZINC000105881495 274829897 /nfs/dbraw/zinc/82/98/97/274829897.db2.gz UKURSBFBWMONIQ-HNNXBMFYSA-N 1 0 300.406 2.425 10 0 DEAERO Brc1cccc2c1OCC[C@H]2[NH2+]CC1OCCO1 ZINC000281927135 275375164 /nfs/dbraw/zinc/37/51/64/275375164.db2.gz CZSCMJAEDGKWKJ-LLVKDONJSA-N 1 0 314.179 2.235 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453056624 275768518 /nfs/dbraw/zinc/76/85/18/275768518.db2.gz GNDFXYJXIOWSSM-CZUORRHYSA-N 1 0 321.490 2.440 10 0 DEAERO CC1(C)C[N@H+](CCC(=O)N2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000190203478 276131988 /nfs/dbraw/zinc/13/19/88/276131988.db2.gz FKWDGFLYBIZZCC-LBPRGKRZSA-N 1 0 322.371 2.146 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCOC3(CCCCC3)C2)C1 ZINC000174237834 276177160 /nfs/dbraw/zinc/17/71/60/276177160.db2.gz UNQIVZBYFAQOHW-HNNXBMFYSA-N 1 0 309.454 2.215 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000177011452 276182116 /nfs/dbraw/zinc/18/21/16/276182116.db2.gz KJIXORKUNAGTMH-HNNXBMFYSA-N 1 0 315.417 2.128 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3nc[nH]c32)[C@@H](C)C1 ZINC000370477424 276223324 /nfs/dbraw/zinc/22/33/24/276223324.db2.gz OKYMNRPZUHYNHW-GUTXKFCHSA-N 1 0 304.438 2.018 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)Nc1nc2ccccn2n1)c1ccccc1 ZINC000184408636 276767878 /nfs/dbraw/zinc/76/78/78/276767878.db2.gz QZBXDMVUHJMMJC-AWEZNQCLSA-N 1 0 324.388 2.154 10 0 DEAERO CC(C)C(=O)Nc1ccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1 ZINC000155617593 277335093 /nfs/dbraw/zinc/33/50/93/277335093.db2.gz GJXDQPHHBRGWQR-KBPBESRZSA-N 1 0 317.433 2.446 10 0 DEAERO COC(=O)[C@@]1(C)CCCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000186356408 277377164 /nfs/dbraw/zinc/37/71/64/277377164.db2.gz LHEKJDDLEOFFCG-QGZVFWFLSA-N 1 0 308.397 2.285 10 0 DEAERO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000362530027 277539729 /nfs/dbraw/zinc/53/97/29/277539729.db2.gz VBUMEELFZPLUDU-BMGDILEWSA-N 1 0 323.433 2.036 10 0 DEAERO COC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1 ZINC000194094697 277571696 /nfs/dbraw/zinc/57/16/96/277571696.db2.gz VEBWEWBDZWCNLD-UONOGXRCSA-N 1 0 306.797 2.224 10 0 DEAERO CO[C@@H]1CC[C@@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000471825254 277660328 /nfs/dbraw/zinc/66/03/28/277660328.db2.gz KBTSHBUQXKWRIJ-IXDOHACOSA-N 1 0 319.449 2.026 10 0 DEAERO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CCO1 ZINC000374687446 277822108 /nfs/dbraw/zinc/82/21/08/277822108.db2.gz OBPYUPAJNFDSPU-WCXIOVBPSA-N 1 0 311.466 2.347 10 0 DEAERO C[C@@H](CNC(=O)N(C)CCc1ccc(F)cc1)[N@H+](C)C1CC1 ZINC000105270173 278270116 /nfs/dbraw/zinc/27/01/16/278270116.db2.gz GJEKIEPWRYETCE-ZDUSSCGKSA-N 1 0 307.413 2.492 10 0 DEAERO CC1(C)CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC[C@@H]1[NH3+] ZINC000261774532 278321818 /nfs/dbraw/zinc/32/18/18/278321818.db2.gz FWHGKUMKRSNYEZ-VIFPVBQESA-N 1 0 317.311 2.005 10 0 DEAERO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1ccc2c(c1)OCCO2 ZINC000176483591 278339144 /nfs/dbraw/zinc/33/91/44/278339144.db2.gz QAKZPXFPPZSAKN-SNVBAGLBSA-N 1 0 319.386 2.204 10 0 DEAERO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](CO)c2ccccc2)sc1C ZINC000182916184 279099020 /nfs/dbraw/zinc/09/90/20/279099020.db2.gz RSAIKVJWLDEOEN-RISCZKNCSA-N 1 0 319.430 2.410 10 0 DEAERO C[C@H](CNC(=O)c1cnc(-c2ccncc2)s1)[N@H+](C)C1CC1 ZINC000172897269 279346103 /nfs/dbraw/zinc/34/61/03/279346103.db2.gz NVOMSOPCGMJJSJ-LLVKDONJSA-N 1 0 316.430 2.418 10 0 DEAERO O=C(C[C@@H]1COCC[NH2+]1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000262357089 279791248 /nfs/dbraw/zinc/79/12/48/279791248.db2.gz GVXJTWOGFIYLEU-CVEARBPZSA-N 1 0 306.381 2.258 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCC[C@@H]2O)C12CCOCC2 ZINC000249001831 279870717 /nfs/dbraw/zinc/87/07/17/279870717.db2.gz NCSGXTMNVYIGOI-MWDXBVQZSA-N 1 0 311.466 2.491 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)CC[NH2+]1 ZINC000262433624 279942497 /nfs/dbraw/zinc/94/24/97/279942497.db2.gz WWRDEHTYLXGBJI-KKUMJFAQSA-N 1 0 301.434 2.242 10 0 DEAERO O=C([C@@H]1CCCc2n[nH]cc21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000134304277 280091062 /nfs/dbraw/zinc/09/10/62/280091062.db2.gz BJXBZDPCLZNPNM-LSDHHAIUSA-N 1 0 316.449 2.307 10 0 DEAERO CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000408208290 280263592 /nfs/dbraw/zinc/26/35/92/280263592.db2.gz LTVCMJIPSGGVGR-JJXSEGSLSA-N 1 0 311.470 2.052 10 0 DEAERO O=C1[C@@H](N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1C1CC1 ZINC000361400146 280313554 /nfs/dbraw/zinc/31/35/54/280313554.db2.gz MBDYYGXKWZHHAB-WMZOPIPTSA-N 1 0 319.493 2.338 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(C)c1 ZINC000246246143 281199792 /nfs/dbraw/zinc/19/97/92/281199792.db2.gz SDFIIZGZZWAKPF-GJZGRUSLSA-N 1 0 308.447 2.242 10 0 DEAERO Cc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000043142064 281434796 /nfs/dbraw/zinc/43/47/96/281434796.db2.gz RSIQRYBOXREHGP-HNNXBMFYSA-N 1 0 305.422 2.272 10 0 DEAERO O=C(NCc1cscn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000051750860 281471692 /nfs/dbraw/zinc/47/16/92/281471692.db2.gz SWWJTQATWSHZCD-UHFFFAOYSA-N 1 0 308.451 2.161 10 0 DEAERO CCC[C@H](O)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130130920 281931289 /nfs/dbraw/zinc/93/12/89/281931289.db2.gz LJWKPIMYTVGDFF-KGLIPLIRSA-N 1 0 300.443 2.384 10 0 DEAERO CC(C)[C@H](CNc1cncc(OCCO)n1)[NH+]1CCC(C)CC1 ZINC000131343635 281961422 /nfs/dbraw/zinc/96/14/22/281961422.db2.gz FGVMXGIVOJVPFS-HNNXBMFYSA-N 1 0 322.453 2.016 10 0 DEAERO CC[C@@H]1CN(C(=O)NCC2(C3CC3)CCC2)CC[N@@H+]1CCOC ZINC000133113158 282008360 /nfs/dbraw/zinc/00/83/60/282008360.db2.gz LSRSLFPEJASVAX-MRXNPFEDSA-N 1 0 323.481 2.319 10 0 DEAERO CCC[C@H](C(=O)NCCCN1CCc2ccccc21)[NH+](C)C ZINC000135008169 282058237 /nfs/dbraw/zinc/05/82/37/282058237.db2.gz KTEUAVQQSIZRLL-QGZVFWFLSA-N 1 0 303.450 2.286 10 0 DEAERO C[NH+](C)C1(CNC(=O)C(C)(C)c2ccccc2F)CCOCC1 ZINC000073322902 289044011 /nfs/dbraw/zinc/04/40/11/289044011.db2.gz AZAWAVJYLLNHAJ-UHFFFAOYSA-N 1 0 322.424 2.330 10 0 DEAERO C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000246660329 289086406 /nfs/dbraw/zinc/08/64/06/289086406.db2.gz GRTSPARGCTUILT-JKIFEVAISA-N 1 0 302.418 2.494 10 0 DEAERO C[C@H](C(=O)N1CCCc2ccccc21)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261711421 289281679 /nfs/dbraw/zinc/28/16/79/289281679.db2.gz MMXWUDPTUZIXTQ-RHSMWYFYSA-N 1 0 315.461 2.414 10 0 DEAERO C[C@H]([NH3+])CCC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000248886408 289768486 /nfs/dbraw/zinc/76/84/86/289768486.db2.gz UQPCRZYNJHETRV-BFHYXJOUSA-N 1 0 305.422 2.366 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N1CCCCCC1 ZINC000328844986 290003127 /nfs/dbraw/zinc/00/31/27/290003127.db2.gz RJVKKTPDCSNLNX-JGGQBBKZSA-N 1 0 307.438 2.265 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CC[C@H](C)c2ccccc2)C[C@@H]1C ZINC000246288379 290091582 /nfs/dbraw/zinc/09/15/82/290091582.db2.gz OOHVIWQDAOKTDW-ULQDDVLXSA-N 1 0 318.461 2.484 10 0 DEAERO [NH3+]CC1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000237804718 295224308 /nfs/dbraw/zinc/22/43/08/295224308.db2.gz BVWDYNWPQFLYBA-SJORKVTESA-N 1 0 302.418 2.352 10 0 DEAERO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)NC(C1CC1)C1CC1 ZINC000129090086 295521377 /nfs/dbraw/zinc/52/13/77/295521377.db2.gz UPIBLYFFJQQDPB-HZPDHXFCSA-N 1 0 316.449 2.261 10 0 DEAERO O=C(NCC1=CC[NH2+]CC1)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000189292003 295635097 /nfs/dbraw/zinc/63/50/97/295635097.db2.gz AUMGDTDOZOSONG-IRXDYDNUSA-N 1 0 300.402 2.190 10 0 DEAERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnccc1N(C)C ZINC000183536238 298661014 /nfs/dbraw/zinc/66/10/14/298661014.db2.gz CFZGHEALGYOXHP-RBSFLKMASA-N 1 0 318.465 2.244 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248619463 300961475 /nfs/dbraw/zinc/96/14/75/300961475.db2.gz MQDDMIXDIPFLTN-GMXVVIOVSA-N 1 0 314.838 2.006 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)NCC2(C[NH+](C)C)CCCC2)n1 ZINC000185883367 301245821 /nfs/dbraw/zinc/24/58/21/301245821.db2.gz CYUYBHPGKHMNSV-HNNXBMFYSA-N 1 0 306.454 2.299 10 0 DEAERO Cn1cncc1CN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261707363 303027106 /nfs/dbraw/zinc/02/71/06/303027106.db2.gz IMTXYFBONXQHHO-CQSZACIVSA-N 1 0 317.462 2.021 10 0 DEAERO CC(C)N1CCC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)OCO3)C1=O ZINC000174986869 325742732 /nfs/dbraw/zinc/74/27/32/325742732.db2.gz KKKIYKKKQKWWTD-TZMCWYRMSA-N 1 0 304.390 2.465 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N(C1CC1)C1CCCC1 ZINC000175288810 325743741 /nfs/dbraw/zinc/74/37/41/325743741.db2.gz ZPDUSWKGBNCADB-UHFFFAOYSA-N 1 0 309.454 2.215 10 0 DEAERO CCC1(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CCOCC1 ZINC000572738496 325974565 /nfs/dbraw/zinc/97/45/65/325974565.db2.gz HKSKPXYDKIWAJH-JKSUJKDBSA-N 1 0 311.466 2.351 10 0 DEAERO O=C1C[C@@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)CN1C1CC1 ZINC000573330053 326046715 /nfs/dbraw/zinc/04/67/15/326046715.db2.gz CEJLLFWDVZQFDG-ZDUSSCGKSA-N 1 0 324.371 2.431 10 0 DEAERO COC[C@@H](C)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000189584367 333148102 /nfs/dbraw/zinc/14/81/02/333148102.db2.gz BDYXOWUQPKLWPS-HNNXBMFYSA-N 1 0 304.434 2.297 10 0 DEAERO Brc1sccc1C[NH2+]CCCn1ccnn1 ZINC000388841635 335125963 /nfs/dbraw/zinc/12/59/63/335125963.db2.gz WLSXNFSHIUBUBL-UHFFFAOYSA-N 1 0 301.213 2.282 10 0 DEAERO CC(C)(C)OC(=O)CCCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000181851040 333172901 /nfs/dbraw/zinc/17/29/01/333172901.db2.gz QWTXOJWKHPZORW-OAHLLOKOSA-N 1 0 323.437 2.096 10 0 DEAERO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000580408965 337399421 /nfs/dbraw/zinc/39/94/21/337399421.db2.gz SGDBBYDVOQZBDX-HOTGVXAUSA-N 1 0 314.495 2.216 10 0 DEAERO COc1cccc2c1CC[C@H]([NH2+]Cc1cc(C(N)=O)co1)C2 ZINC000192448245 533870781 /nfs/dbraw/zinc/87/07/81/533870781.db2.gz DVRGZZIEBDUNKE-ZDUSSCGKSA-N 1 0 300.358 2.034 10 0 DEAERO C[C@H]1CCCN(c2cc(NC[C@H](C3CC3)[NH+](C)C)ncn2)C1 ZINC000301979281 534177148 /nfs/dbraw/zinc/17/71/48/534177148.db2.gz HGYFEPWEPSEEGP-DZGCQCFKSA-N 1 0 303.454 2.465 10 0 DEAERO COc1ccc(O)cc1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000188377958 534211697 /nfs/dbraw/zinc/21/16/97/534211697.db2.gz HAFCNTVOJONEHV-ZDUSSCGKSA-N 1 0 306.406 2.109 10 0 DEAERO Cn1nccc1C1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000195502047 518195674 /nfs/dbraw/zinc/19/56/74/518195674.db2.gz UXMJCQVUNQBBSF-INIZCTEOSA-N 1 0 315.417 2.039 10 0 DEAERO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000157887963 519787020 /nfs/dbraw/zinc/78/70/20/519787020.db2.gz LNSFYCDCGPHEHA-KBPBESRZSA-N 1 0 324.446 2.076 10 0 DEAERO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249596475 519847290 /nfs/dbraw/zinc/84/72/90/519847290.db2.gz WZNVDNAYTPCQEH-BFYDXBDKSA-N 1 0 307.434 2.252 10 0 DEAERO CCOCC[N@@H+]1CCN(CCOc2ccc(OC)cc2)C[C@@H]1C ZINC000105834505 519920569 /nfs/dbraw/zinc/92/05/69/519920569.db2.gz ZCANHYJDPLMKHL-INIZCTEOSA-N 1 0 322.449 2.117 10 0 DEAERO CCCCCC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154504369 519924131 /nfs/dbraw/zinc/92/41/31/519924131.db2.gz TUMXUMRZPRVBIY-SJPCQFCGSA-N 1 0 307.482 2.336 10 0 DEAERO O=C(NCCc1cccc(F)c1F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417613310 534468064 /nfs/dbraw/zinc/46/80/64/534468064.db2.gz SMVNASVEAWQYSS-OKILXGFUSA-N 1 0 323.387 2.148 10 0 DEAERO CC1(C)CO[C@H](c2ccccc2)CN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000246553870 520512174 /nfs/dbraw/zinc/51/21/74/520512174.db2.gz UBERGZIYVNOQQY-XHSDSOJGSA-N 1 0 302.418 2.493 10 0 DEAERO CCC[C@@H](C)CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107284048 520621670 /nfs/dbraw/zinc/62/16/70/520621670.db2.gz MTMNHTGYCVDWSH-SJORKVTESA-N 1 0 309.498 2.441 10 0 DEAERO c1nc(NC2CC2)cc(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000413060813 534531410 /nfs/dbraw/zinc/53/14/10/534531410.db2.gz LRVPMVPPCAAYKP-UHFFFAOYSA-N 1 0 301.438 2.363 10 0 DEAERO c1ncn(-c2ccc(C[NH2+]C[C@H]3CCCCN3C3CC3)cc2)n1 ZINC000434794050 534544012 /nfs/dbraw/zinc/54/40/12/534544012.db2.gz MNPCAUGCVOAAQS-GOSISDBHSA-N 1 0 311.433 2.374 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000111511565 521600550 /nfs/dbraw/zinc/60/05/50/521600550.db2.gz HBBZCHXAFUAJRY-JKSUJKDBSA-N 1 0 319.453 2.141 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(O)ccc2OC)[C@@H](C)C1 ZINC000249078712 521712424 /nfs/dbraw/zinc/71/24/24/521712424.db2.gz PFKBKICYFVQVBK-SWLSCSKDSA-N 1 0 306.406 2.203 10 0 DEAERO C[NH2+]CC1CCN(S(=O)(=O)c2cccc(C(C)C)c2)CC1 ZINC000237361560 521978340 /nfs/dbraw/zinc/97/83/40/521978340.db2.gz QXOQATYXRXVLFP-UHFFFAOYSA-N 1 0 310.463 2.430 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000246269363 522051427 /nfs/dbraw/zinc/05/14/27/522051427.db2.gz LQZBCXCEQHXQPE-UHOFOFEASA-N 1 0 315.417 2.105 10 0 DEAERO C[NH2+]C[C@H](C)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000237286437 522064637 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COC(=O)c1ccc(C2(C(=O)OC(C)(C)C)CC([NH3+])C2)cc1 ZINC000757177586 623226126 /nfs/dbraw/zinc/22/61/26/623226126.db2.gz NKGKMXWTBONYPX-UHFFFAOYSA-N 1 0 305.374 2.174 10 0 DEAERO CCOC(=O)C1(C2(O)CC(C)(C)[NH2+]C(C)(C)C2)CCOCC1 ZINC000757183586 623231287 /nfs/dbraw/zinc/23/12/87/623231287.db2.gz PTDTYZFUKNRVDH-UHFFFAOYSA-N 1 0 313.438 2.018 10 0 DEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Br)c(F)c1 ZINC000757185495 623233608 /nfs/dbraw/zinc/23/36/08/623233608.db2.gz WLMIJQIEDFYUAJ-VHSXEESVSA-N 1 0 316.170 2.454 10 0 DEAERO Cc1nocc1C[NH2+]C[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000888078714 625058553 /nfs/dbraw/zinc/05/85/53/625058553.db2.gz OSRIFVWHMRAXEJ-CJNGLKHVSA-N 1 0 304.394 2.201 10 0 DEAERO [NH3+]C[C@@H]1CCO[C@@H]1c1nc(C2(c3ccccc3F)CC2)no1 ZINC000888078494 625058850 /nfs/dbraw/zinc/05/88/50/625058850.db2.gz WAHVJMOREDGIEY-GWCFXTLKSA-N 1 0 303.337 2.325 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000122127325 625214370 /nfs/dbraw/zinc/21/43/70/625214370.db2.gz WBFFRHVSNUDLLM-LDYMZIIASA-N 1 0 303.284 2.315 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]CC2(CO)CCC2)C1 ZINC000195223023 625781187 /nfs/dbraw/zinc/78/11/87/625781187.db2.gz YQAKUOHORJXEHE-INIZCTEOSA-N 1 0 312.454 2.386 10 0 DEAERO C[NH+](C)CCCOC1CCN(C(=O)CSC(C)(C)C)CC1 ZINC000177109194 625804692 /nfs/dbraw/zinc/80/46/92/625804692.db2.gz FPDCDYIBOIJJPV-UHFFFAOYSA-N 1 0 316.511 2.477 10 0 DEAERO c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000399708909 635782515 /nfs/dbraw/zinc/78/25/15/635782515.db2.gz XECORZRVVDNSAQ-JTUYAUNFSA-N 1 0 311.473 2.333 10 0 DEAERO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000320176327 637864219 /nfs/dbraw/zinc/86/42/19/637864219.db2.gz YFPRZJFFORKQSR-MYEMAUTDSA-N 1 0 302.827 2.356 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)NCC[N@H+]3CCC[C@H]3C)cc2)c1 ZINC000742239206 638051730 /nfs/dbraw/zinc/05/17/30/638051730.db2.gz LAEILNVCDBOBDF-OAHLLOKOSA-N 1 0 312.417 2.395 10 0 DEAERO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000747816183 638480107 /nfs/dbraw/zinc/48/01/07/638480107.db2.gz UUUPRFDYBYHUNF-ZWKOTPCHSA-N 1 0 314.429 2.352 10 0 DEAERO CCN(CC)C(=O)C1([NH2+]C/C=C(/C)C(=O)OC)CCCCC1 ZINC000748818355 638594441 /nfs/dbraw/zinc/59/44/41/638594441.db2.gz UFXBQRJEKCKXKY-UVTDQMKNSA-N 1 0 310.438 2.267 10 0 DEAERO O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000750062897 638707789 /nfs/dbraw/zinc/70/77/89/638707789.db2.gz SQJKGBSXBSKTTC-RYUDHWBXSA-N 1 0 314.389 2.329 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000751435951 639081007 /nfs/dbraw/zinc/08/10/07/639081007.db2.gz PYXWRSLYFZRPEC-IRXDYDNUSA-N 1 0 324.465 2.047 10 0 DEAERO CCOC(=O)[C@H](CC1CC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000752385047 639178782 /nfs/dbraw/zinc/17/87/82/639178782.db2.gz DWKZCBYOIFOBEW-HIFRSBDPSA-N 1 0 310.438 2.099 10 0 DEAERO CC(=O)OCC(C)(C)CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000805332256 640900885 /nfs/dbraw/zinc/90/08/85/640900885.db2.gz OVBVHMSOBIKXHM-ZFWWWQNUSA-N 1 0 310.438 2.051 10 0 DEAERO Cc1nc2c(nccc2C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[nH]1 ZINC000436132430 643091033 /nfs/dbraw/zinc/09/10/33/643091033.db2.gz AUQXZWFNPHBEIH-LBPRGKRZSA-N 1 0 315.421 2.117 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC12OCCO2)c1ccsc1 ZINC000806430324 645830086 /nfs/dbraw/zinc/83/00/86/645830086.db2.gz LXLLBFDMAGNTDK-KGLIPLIRSA-N 1 0 324.446 2.010 10 0 DEAERO CC(C)(C)OC(=O)N(Cc1ccon1)c1ccc(C[NH3+])nc1 ZINC000757135586 645928876 /nfs/dbraw/zinc/92/88/76/645928876.db2.gz WNDYFDQPBHINJC-UHFFFAOYSA-N 1 0 304.350 2.470 10 0 DEAERO O=C(NCC1CC1)c1cc(Cl)ccc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000151194188 646289123 /nfs/dbraw/zinc/28/91/23/646289123.db2.gz FJZNLNGUFHWUTD-LLVKDONJSA-N 1 0 321.808 2.028 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1sc(=S)[nH]c1C ZINC000057308582 646510613 /nfs/dbraw/zinc/51/06/13/646510613.db2.gz JUJZHVRERGSMPB-VIFPVBQESA-N 1 0 301.481 2.129 10 0 DEAERO CN1CCC([NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000229081502 646665735 /nfs/dbraw/zinc/66/57/35/646665735.db2.gz MYTOSQWBMFBSLM-HIFRSBDPSA-N 1 0 311.470 2.364 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000229838846 646704489 /nfs/dbraw/zinc/70/44/89/646704489.db2.gz SWVPCVVCEHWARG-JYVUQVBGSA-N 1 0 312.454 2.430 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CC1CC(O)C1 ZINC000229838853 646704543 /nfs/dbraw/zinc/70/45/43/646704543.db2.gz SWVPCVVCEHWARG-OOJKYFRXSA-N 1 0 312.454 2.430 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccn1C ZINC000230412499 646728961 /nfs/dbraw/zinc/72/89/61/646728961.db2.gz BWBFQSVZBXGIEJ-QWHCGFSZSA-N 1 0 308.426 2.328 10 0 DEAERO O=C(C[N@@H+]1CCC2(CCCC2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000174276917 646802812 /nfs/dbraw/zinc/80/28/12/646802812.db2.gz BNAUSICILHDISS-HOTGVXAUSA-N 1 0 306.450 2.423 10 0 DEAERO Cc1ccc(C[N@@H+]2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1 ZINC000818184100 647428861 /nfs/dbraw/zinc/42/88/61/647428861.db2.gz FFKQEVHQPHHQJX-KRWDZBQOSA-N 1 0 317.389 2.418 10 0 DEAERO C[C@H](CNC(=O)c1cc(Cl)nc(N(C)C)c1)C[NH+]1CCCC1 ZINC000733132616 647890666 /nfs/dbraw/zinc/89/06/66/647890666.db2.gz BEZYRQKUAWZMJN-GFCCVEGCSA-N 1 0 324.856 2.263 10 0 DEAERO C[C@H](CNC(=O)c1cc(Cl)nc(N(C)C)c1)[NH+]1CCCCC1 ZINC000733135188 647891920 /nfs/dbraw/zinc/89/19/20/647891920.db2.gz RUYQGQUTTSFLGM-GFCCVEGCSA-N 1 0 324.856 2.405 10 0 DEAERO C[C@H]([NH2+]CC1(CO)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000154744398 648083525 /nfs/dbraw/zinc/08/35/25/648083525.db2.gz JKTJXZKVZQMADS-KBPBESRZSA-N 1 0 312.454 2.384 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)OCCCCOC)cc2)CC1 ZINC000179936259 648438201 /nfs/dbraw/zinc/43/82/01/648438201.db2.gz DJIGPBNVTSKBRL-UHFFFAOYSA-N 1 0 320.433 2.412 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000238077503 648476395 /nfs/dbraw/zinc/47/63/95/648476395.db2.gz GWPDRWKAGVVSHM-RISCZKNCSA-N 1 0 302.353 2.073 10 0 DEAERO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCS2(=O)=O)C1(C)C ZINC000182025568 648813839 /nfs/dbraw/zinc/81/38/39/648813839.db2.gz ODBXFLJRWNCXKB-BFHYXJOUSA-N 1 0 303.468 2.137 10 0 DEAERO COC(=O)C[C@@H](C)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183173286 649045607 /nfs/dbraw/zinc/04/56/07/649045607.db2.gz FXUMJHXPOVBBTG-ZBFHGGJFSA-N 1 0 319.401 2.393 10 0 DEAERO COCCCOCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183188563 649046613 /nfs/dbraw/zinc/04/66/13/649046613.db2.gz FKTHKSYYPVCCBT-KRWDZBQOSA-N 1 0 321.417 2.247 10 0 DEAERO CC[C@@H]([NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C)c1cnn(C)c1 ZINC000858008422 652236432 /nfs/dbraw/zinc/23/64/32/652236432.db2.gz QBPOLEMFYKIEMS-NUEKZKHPSA-N 1 0 317.437 2.362 10 0 DEAERO c1ccc(OCCOCC[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000110879647 652459361 /nfs/dbraw/zinc/45/93/61/652459361.db2.gz VXOFIKNDXLKNBN-QGZVFWFLSA-N 1 0 321.417 2.309 10 0 DEAERO O=S(=O)(/C=C\c1ccc(Cl)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000379941860 685393972 /nfs/dbraw/zinc/39/39/72/685393972.db2.gz YORWBGXDELQJAQ-MSKHEQNASA-N 1 0 314.838 2.372 10 0 DEAERO CCc1nn(C)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000381596685 685401216 /nfs/dbraw/zinc/40/12/16/685401216.db2.gz KGEHXNYHRCNYQD-RYUDHWBXSA-N 1 0 310.442 2.374 10 0 DEAERO CO[C@@H]1CCC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000383592339 685408435 /nfs/dbraw/zinc/40/84/35/685408435.db2.gz OEDOFMPYSHPFKK-VXGBXAGGSA-N 1 0 302.216 2.193 10 0 DEAERO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cn(C)nn1 ZINC000389816185 685435947 /nfs/dbraw/zinc/43/59/47/685435947.db2.gz PXYSLVUZLYBGTA-JSGCOSHPSA-N 1 0 323.441 2.083 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@@H]2[C@@H]1[C@@H]3[NH2+]CC1(C)COC1 ZINC000392824935 685450818 /nfs/dbraw/zinc/45/08/18/685450818.db2.gz VGDNYLVNCVNKOV-BTFPBAQTSA-N 1 0 322.449 2.256 10 0 DEAERO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CC2CCCCC2)cc1 ZINC000037886854 683884707 /nfs/dbraw/zinc/88/47/07/683884707.db2.gz XRTCEFQJSVBQDA-INIZCTEOSA-N 1 0 311.447 2.293 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](O)C1 ZINC000114082920 684062772 /nfs/dbraw/zinc/06/27/72/684062772.db2.gz ZDIVZXZUIPLHNP-GJZGRUSLSA-N 1 0 306.406 2.147 10 0 DEAERO COc1cc(C[NH2+]CCN2CCC(C)CC2)cc2c1OCCO2 ZINC000132401441 684208697 /nfs/dbraw/zinc/20/86/97/684208697.db2.gz PQXCTCORQBJSOT-UHFFFAOYSA-N 1 0 320.433 2.288 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2cccnc2Br)CC1 ZINC000135437158 684235647 /nfs/dbraw/zinc/23/56/47/684235647.db2.gz JEVNAURDWXOGST-UHFFFAOYSA-N 1 0 312.211 2.010 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC1(Cl)Cl ZINC000155329344 684270460 /nfs/dbraw/zinc/27/04/60/684270460.db2.gz NZYBFXSUJJOFFY-OLZOCXBDSA-N 1 0 315.244 2.469 10 0 DEAERO COC(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000156944217 684292725 /nfs/dbraw/zinc/29/27/25/684292725.db2.gz SFFWWHGSIYTDOP-RISCZKNCSA-N 1 0 305.378 2.064 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]Cc2cncnc2)CCCN1C(=O)OC(C)(C)C ZINC000189531094 684383158 /nfs/dbraw/zinc/38/31/58/684383158.db2.gz CBLWVEFYGDKFIC-OCCSQVGLSA-N 1 0 306.410 2.354 10 0 DEAERO FC(F)n1ccnc1CN1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000191069410 684420318 /nfs/dbraw/zinc/42/03/18/684420318.db2.gz AHQCQMOSRNBPKE-ZDUSSCGKSA-N 1 0 312.364 2.089 10 0 DEAERO CC(C)Nc1ncnc2c1ncn2C[N@@H+]1CCS[C@H](C)CC1 ZINC000191668553 684434323 /nfs/dbraw/zinc/43/43/23/684434323.db2.gz VBQYVCNMFPWKOM-GFCCVEGCSA-N 1 0 320.466 2.432 10 0 DEAERO CC(C)OC[C@@H](O)C[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000192529405 684452287 /nfs/dbraw/zinc/45/22/87/684452287.db2.gz CTUQBLBWPDYGOI-ZWKOTPCHSA-N 1 0 306.450 2.199 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCCOC1 ZINC000192819340 684458681 /nfs/dbraw/zinc/45/86/81/684458681.db2.gz QZEDVXQWRCDLGX-SJORKVTESA-N 1 0 304.434 2.092 10 0 DEAERO O=S1(=O)CC[C@@H]([NH2+]C[C@H](O)c2ccccc2)c2ccccc21 ZINC000192959425 684461309 /nfs/dbraw/zinc/46/13/09/684461309.db2.gz SXGMHOYCAYQPMV-CVEARBPZSA-N 1 0 317.410 2.228 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000193649236 685045138 /nfs/dbraw/zinc/04/51/38/685045138.db2.gz SLVIZSDHZDLVQI-DGCLKSJQSA-N 1 0 318.808 2.396 10 0 DEAERO O=S(=O)(/C=C\c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000208287777 685102426 /nfs/dbraw/zinc/10/24/26/685102426.db2.gz DUHJEUITOIKPRM-RAXLEYEMSA-N 1 0 306.431 2.204 10 0 DEAERO CC[NH+](CC)CCCN1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000249139306 685175943 /nfs/dbraw/zinc/17/59/43/685175943.db2.gz ZDAMZHXMVGCRLF-JKSUJKDBSA-N 1 0 310.438 2.136 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]nc3c2CCCC3)[C@@H](C)C1 ZINC000249126942 685176094 /nfs/dbraw/zinc/17/60/94/685176094.db2.gz JKVKPAYIMNRKGI-GUYCJALGSA-N 1 0 318.465 2.020 10 0 DEAERO COC(=O)c1nn(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)c2ccccc21 ZINC000249466115 685180857 /nfs/dbraw/zinc/18/08/57/685180857.db2.gz GTEQGVBPCFBGQV-SWLSCSKDSA-N 1 0 317.389 2.137 10 0 DEAERO CCOC1CC([NH2+][C@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)C1 ZINC000886031748 691988466 /nfs/dbraw/zinc/98/84/66/691988466.db2.gz SCSTVCHYXOOOAF-WTIISPKJSA-N 1 0 308.344 2.085 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc2ccccc2nn1 ZINC000888608601 692551953 /nfs/dbraw/zinc/55/19/53/692551953.db2.gz KHJIIDISVLQIPJ-JSGCOSHPSA-N 1 0 311.389 2.330 10 0 DEAERO CN1C[C@@H](CC[NH2+]Cc2cccc(Br)c2)CC1=O ZINC000723566623 777124854 /nfs/dbraw/zinc/12/48/54/777124854.db2.gz KOWYTZGNJHXQCI-LBPRGKRZSA-N 1 0 311.223 2.407 10 0 DEAERO CN1C[C@@H](CC[NH2+]C2CCN(Cc3ccccc3)CC2)CC1=O ZINC000723583742 777128131 /nfs/dbraw/zinc/12/81/31/777128131.db2.gz WKTIBLHHQFHKIL-KRWDZBQOSA-N 1 0 315.461 2.109 10 0 DEAERO [NH3+]CC[C@H]1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000723707933 777165520 /nfs/dbraw/zinc/16/55/20/777165520.db2.gz XXMNIYKJEDXYHI-RSPDNQDQSA-N 1 0 314.838 2.311 10 0 DEAERO C[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)N(C)C1CC1 ZINC000724036045 777225934 /nfs/dbraw/zinc/22/59/34/777225934.db2.gz JFUMIOGLBYDFIG-PSASIEDQSA-N 1 0 304.303 2.007 10 0 DEAERO CCN(CC)C[C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724040217 777226680 /nfs/dbraw/zinc/22/66/80/777226680.db2.gz GQBFSDNMHIGCRN-VHSXEESVSA-N 1 0 306.319 2.255 10 0 DEAERO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724042907 777229703 /nfs/dbraw/zinc/22/97/03/777229703.db2.gz SNFNXSYXOVUXOM-GUBZILKMSA-N 1 0 305.287 2.170 10 0 DEAERO C[C@@](O)(C[N@@H+]1CC[C@]2(CCOC2)C1)C(F)(F)C(F)(F)F ZINC000724109856 777242279 /nfs/dbraw/zinc/24/22/79/777242279.db2.gz PQPRKSLQWITOLJ-ZJUUUORDSA-N 1 0 303.271 2.047 10 0 DEAERO COC(=O)CCN1CCN(C(=O)/C(C)=C\C(C)(C)C)[C@H](C)C1 ZINC000588499633 777304207 /nfs/dbraw/zinc/30/42/07/777304207.db2.gz RKFCFNNTIGEREN-YBEMTRGBSA-N 1 0 310.438 2.075 10 0 DEAERO CC[C@H]1C[C@@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CCO1 ZINC000724624648 777406566 /nfs/dbraw/zinc/40/65/66/777406566.db2.gz DZUNIGZJZVDZNV-AVGNSLFASA-N 1 0 300.399 2.085 10 0 DEAERO CC(C)[C@H]1C[C@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CCO1 ZINC000724646747 777428672 /nfs/dbraw/zinc/42/86/72/777428672.db2.gz FNDSVEKQZKTDPU-HZSPNIEDSA-N 1 0 314.426 2.331 10 0 DEAERO Brc1sccc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724668153 777452747 /nfs/dbraw/zinc/45/27/47/777452747.db2.gz HGCVNZKSWAHONL-MXWKQRLJSA-N 1 0 318.236 2.404 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000724966758 777546324 /nfs/dbraw/zinc/54/63/24/777546324.db2.gz RGCDTVPGUFNFHH-AAVRWANBSA-N 1 0 310.438 2.399 10 0 DEAERO Cc1ccnc(N(C)C2(C[NH3+])CCOCC2)c1Br ZINC000725008879 777555391 /nfs/dbraw/zinc/55/53/91/777555391.db2.gz VXWGGLAXRFBOAT-UHFFFAOYSA-N 1 0 314.227 2.097 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000722253998 778552765 /nfs/dbraw/zinc/55/27/65/778552765.db2.gz PJRRWOJXAYETFJ-QPSCCSFWSA-N 1 0 311.470 2.314 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000722316047 778603432 /nfs/dbraw/zinc/60/34/32/778603432.db2.gz GVIUGDBEFGSQRI-CABCVRRESA-N 1 0 310.438 2.401 10 0 DEAERO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cnn(C)c1 ZINC000721863103 780405628 /nfs/dbraw/zinc/40/56/28/780405628.db2.gz HXPMLMIPCNAVQY-MBNYWOFBSA-N 1 0 308.426 2.326 10 0 DEAERO CC(C)c1nnc2n1CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[C@H]2C ZINC000439776384 781808284 /nfs/dbraw/zinc/80/82/84/781808284.db2.gz VUKFIFOTRNULKK-MJBXVCDLSA-N 1 0 319.453 2.178 10 0 DEAERO CCn1cc(Br)cc1C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000712314425 784814981 /nfs/dbraw/zinc/81/49/81/784814981.db2.gz LIHLTGHYRSBQTC-LLVKDONJSA-N 1 0 314.227 2.095 10 0 DEAERO CCn1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cn1 ZINC000721866815 787323627 /nfs/dbraw/zinc/32/36/27/787323627.db2.gz QYCVMYGBBCRUGH-TZMCWYRMSA-N 1 0 308.426 2.248 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccnc2cc(Br)cnc21 ZINC000721923648 787325833 /nfs/dbraw/zinc/32/58/33/787325833.db2.gz GEXXZJSLEFDCRV-PRHODGIISA-N 1 0 307.195 2.412 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(O)c(F)c2)CO1 ZINC000722500207 787331220 /nfs/dbraw/zinc/33/12/20/787331220.db2.gz IGVICLZMDGZTAZ-NSHDSACASA-N 1 0 312.341 2.172 10 0 DEAERO O=C(C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)NCc1ccccc1 ZINC000723619623 787344684 /nfs/dbraw/zinc/34/46/84/787344684.db2.gz MPPWHPFNTGWCKK-YESZJQIVSA-N 1 0 302.418 2.098 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCn2ccnc21 ZINC000723819088 787345435 /nfs/dbraw/zinc/34/54/35/787345435.db2.gz DSMPQLBSKOUGPI-MCIONIFRSA-N 1 0 320.437 2.421 10 0 DEAERO C[C@](O)(C[NH2+]C[C@@H]1CC(C)(C)CO1)C(F)(F)C(F)(F)F ZINC000724075766 787348051 /nfs/dbraw/zinc/34/80/51/787348051.db2.gz XLGQBRQUGQNCAO-WPRPVWTQSA-N 1 0 305.287 2.340 10 0 DEAERO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)O1 ZINC000724096787 787349416 /nfs/dbraw/zinc/34/94/16/787349416.db2.gz OQIZLPBGRKYZFH-KXUCPTDWSA-N 1 0 305.287 2.482 10 0 DEAERO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1cc[nH]c(=O)c1 ZINC000585081034 789678718 /nfs/dbraw/zinc/67/87/18/789678718.db2.gz DKJLUEMRHBFKDT-LLVKDONJSA-N 1 0 305.403 2.319 10 0 DEAERO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000397465386 790188775 /nfs/dbraw/zinc/18/87/75/790188775.db2.gz YNVUZQHMADAPQS-KBXIAJHMSA-N 1 0 310.438 2.401 10 0 DEAERO COc1ccc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)cc1O ZINC000397867926 790228584 /nfs/dbraw/zinc/22/85/84/790228584.db2.gz HVHFLJLOFNVQHM-UHFFFAOYSA-N 1 0 322.405 2.357 10 0 DEAERO Cn1cc(CNC[C@@H]2CC[N@@H+]2C(C)(C)C)c(Br)n1 ZINC000712460398 792189290 /nfs/dbraw/zinc/18/92/90/792189290.db2.gz UATAXCPAHVKLES-NSHDSACASA-N 1 0 315.259 2.145 10 0 DEAERO Cn1cc(C[NH2+]CC(C)(C)C(C)(C)O)c(Br)n1 ZINC000712480131 792190051 /nfs/dbraw/zinc/19/00/51/792190051.db2.gz QFIUECZFQHCGDY-UHFFFAOYSA-N 1 0 304.232 2.069 10 0 DEAERO CCN1CC[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000712593919 792192110 /nfs/dbraw/zinc/19/21/10/792192110.db2.gz GFOJSHTWOBQJOU-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO CCN1CC[C@H]1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000712593397 792192430 /nfs/dbraw/zinc/19/24/30/792192430.db2.gz BQPANFVHJPAWMY-GJZGRUSLSA-N 1 0 311.470 2.460 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000712597645 792192464 /nfs/dbraw/zinc/19/24/64/792192464.db2.gz ZDLXEFYQCORFPN-JJXSEGSLSA-N 1 0 323.481 2.458 10 0 DEAERO CCOC[C@H](O)C[NH2+]CCc1sccc1Br ZINC000713013550 792212550 /nfs/dbraw/zinc/21/25/50/792212550.db2.gz KRAPVFPHDCQMHU-SECBINFHSA-N 1 0 308.241 2.040 10 0 DEAERO Cc1cnc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000713311950 792219327 /nfs/dbraw/zinc/21/93/27/792219327.db2.gz NNPJOPAEVWAWJP-CJNGLKHVSA-N 1 0 313.401 2.367 10 0 DEAERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccsc2Br)C1 ZINC000713286759 792219827 /nfs/dbraw/zinc/21/98/27/792219827.db2.gz TZVWWTRONWDZAB-YGOYTEALSA-N 1 0 315.236 2.254 10 0 DEAERO Cc1cc(NC(=O)[C@H]2CO[C@@H](C[NH3+])C2)ccc1Br ZINC000713792251 792245612 /nfs/dbraw/zinc/24/56/12/792245612.db2.gz IAZUGVLFXGNZQG-MWLCHTKSSA-N 1 0 313.195 2.060 10 0 DEAERO Cc1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)s1 ZINC000714335092 792309236 /nfs/dbraw/zinc/30/92/36/792309236.db2.gz OXMXQZYXOQFAMD-BXKDBHETSA-N 1 0 302.465 2.378 10 0 DEAERO O=S1(=O)CCC[C@H]1CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000714374026 792312680 /nfs/dbraw/zinc/31/26/80/792312680.db2.gz YOXUHBFVUFOMND-KBPBESRZSA-N 1 0 301.452 2.035 10 0 DEAERO CCC1([NH3+])CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000714759996 792334836 /nfs/dbraw/zinc/33/48/36/792334836.db2.gz VIBVSEMMNFQBHT-UHFFFAOYSA-N 1 0 302.827 2.232 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)NCc1ncc(Br)s1 ZINC000714943416 792360542 /nfs/dbraw/zinc/36/05/42/792360542.db2.gz LQQKNQONQRWLPY-JTQLQIEISA-N 1 0 306.229 2.039 10 0 DEAERO [NH3+]C1CC(CNC(=O)c2ccc(Br)cc2F)C1 ZINC000715106930 792383000 /nfs/dbraw/zinc/38/30/00/792383000.db2.gz GJNXTXYDPFOVMI-UHFFFAOYSA-N 1 0 301.159 2.055 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000716569605 792974664 /nfs/dbraw/zinc/97/46/64/792974664.db2.gz ZHVKRQKVLWADHT-LLVKDONJSA-N 1 0 316.854 2.315 10 0 DEAERO O[C@@H](C[NH2+]CC[C@H](O)C(F)F)c1cccc(Br)c1 ZINC000716712190 793002502 /nfs/dbraw/zinc/00/25/02/793002502.db2.gz KKNSBBWAZFFOCS-QWRGUYRKSA-N 1 0 324.165 2.088 10 0 DEAERO CC1(C)CO[C@H](CC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000717375104 799391631 /nfs/dbraw/zinc/39/16/31/799391631.db2.gz KOTRCERMNMMPFU-MJBXVCDLSA-N 1 0 303.468 2.137 10 0 DEAERO C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000717531729 799423842 /nfs/dbraw/zinc/42/38/42/799423842.db2.gz HULDBRBQJZZYIH-ZIAGYGMSSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCN(C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400406987 801784711 /nfs/dbraw/zinc/78/47/11/801784711.db2.gz RXOBHZIJRBGUKL-SOUVJXGZSA-N 1 0 311.470 2.458 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCc2cn(C)cn2)CN(C(=O)OC(C)(C)C)C1 ZINC000401639925 801836101 /nfs/dbraw/zinc/83/61/01/801836101.db2.gz GQNAJOKMQRTKGO-ZFWWWQNUSA-N 1 0 322.453 2.198 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401654610 801836832 /nfs/dbraw/zinc/83/68/32/801836832.db2.gz SLNWNUIESFRVMI-YUELXQCFSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@H](CCCO)[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401722423 801845828 /nfs/dbraw/zinc/84/58/28/801845828.db2.gz BFDDDCOVUIVCGW-MCIONIFRSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCCCCO)CN(C(=O)OC(C)(C)C)C1 ZINC000401738622 801846782 /nfs/dbraw/zinc/84/67/82/801846782.db2.gz QGRPTYYTMFETLN-ZIAGYGMSSA-N 1 0 300.443 2.384 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000401858612 801855814 /nfs/dbraw/zinc/85/58/14/801855814.db2.gz WOUYVOJVKVMVMW-RQJABVFESA-N 1 0 312.454 2.381 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C12CCC2 ZINC000404592141 802025785 /nfs/dbraw/zinc/02/57/85/802025785.db2.gz YABOGIACLXBNOL-BFHYXJOUSA-N 1 0 310.438 2.448 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404790421 802031058 /nfs/dbraw/zinc/03/10/58/802031058.db2.gz DRHFHOYMNAJINQ-MROQNXINSA-N 1 0 300.443 2.285 10 0 DEAERO Cc1nn(C)c(C[NH2+]CCc2ccns2)c1Br ZINC000709790638 1086684640 /nfs/dbraw/zinc/68/46/40/1086684640.db2.gz LXRASJDYKRQITR-UHFFFAOYSA-N 1 0 315.240 2.280 10 0 DEAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000718382463 1088511123 /nfs/dbraw/zinc/51/11/23/1088511123.db2.gz NIADLGKBVXARCG-BYNSBNAKSA-N 1 0 303.468 2.280 10 0 DEAERO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000067504815 1079893289 /nfs/dbraw/zinc/89/32/89/1079893289.db2.gz GNPMJNYSROQSFX-HNNXBMFYSA-N 1 0 323.400 2.430 10 0 DEAERO CC(C)c1csc(CNC(=O)Cc2csc(C[NH3+])n2)n1 ZINC000071696460 1080027632 /nfs/dbraw/zinc/02/76/32/1080027632.db2.gz XMBVFWCVKMGJLF-UHFFFAOYSA-N 1 0 310.448 2.041 10 0 DEAERO C[C@@H](Cc1ccsc1)[N@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000081597594 1081125787 /nfs/dbraw/zinc/12/57/87/1081125787.db2.gz ZGOXOTGXQQLBBR-LBPRGKRZSA-N 1 0 323.462 2.331 10 0 DEAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)CCC(C)(C)C2CC2)CC1 ZINC000717933670 1081803114 /nfs/dbraw/zinc/80/31/14/1081803114.db2.gz BPYIMELGJKWTRH-GFCCVEGCSA-N 1 0 302.484 2.202 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000723837377 1082396950 /nfs/dbraw/zinc/39/69/50/1082396950.db2.gz XJIVLBIVAJVJMV-CHWSQXEVSA-N 1 0 324.421 2.365 10 0 DEAERO [NH3+]C[C@@H]1CN(C(=O)CCc2cccs2)C[C@@H]1C(F)(F)F ZINC000720857910 1086302986 /nfs/dbraw/zinc/30/29/86/1086302986.db2.gz HPDMFSQCFIFVMV-KOLCDFICSA-N 1 0 306.353 2.276 10 0 DEAERO O=C(/C=C/c1ccc(Br)o1)NC[C@@H]1CCCC[NH2+]1 ZINC000700638879 1086323786 /nfs/dbraw/zinc/32/37/86/1086323786.db2.gz SIRMDFPNAODCTG-STUBTGCMSA-N 1 0 313.195 2.314 10 0 DEAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CCn3ccnc32)CCN1C(=O)OC(C)(C)C ZINC000700745038 1086333760 /nfs/dbraw/zinc/33/37/60/1086333760.db2.gz IIQZORDKKBCWJZ-FRRDWIJNSA-N 1 0 306.410 2.315 10 0 DEAERO C[NH+](C)CC[C@@H]1CCN(c2ncnc(F)c2Br)C1 ZINC000701445373 1086364586 /nfs/dbraw/zinc/36/45/86/1086364586.db2.gz QEIHWLWCFCUIIG-SECBINFHSA-N 1 0 317.206 2.156 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc(-c2cncs2)no1 ZINC000702201561 1086412313 /nfs/dbraw/zinc/41/23/13/1086412313.db2.gz SQWMCJGITLRLFP-GFCCVEGCSA-N 1 0 315.402 2.325 10 0 DEAERO COc1cc(C[NH2+]CC2SCCS2)cc2c1OCCO2 ZINC000703131311 1086484541 /nfs/dbraw/zinc/48/45/41/1086484541.db2.gz CPIVDGXXLVBZLG-UHFFFAOYSA-N 1 0 313.444 2.362 10 0 DEAERO O=C(NCCC1SCCS1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000703339271 1086494178 /nfs/dbraw/zinc/49/41/78/1086494178.db2.gz BYRZNUUIMXWAMY-TUAOUCFPSA-N 1 0 300.493 2.220 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)CO1 ZINC000703399151 1086498424 /nfs/dbraw/zinc/49/84/24/1086498424.db2.gz OXGPCRLKSIFDQR-VXGBXAGGSA-N 1 0 300.399 2.085 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]CC2SCCS2)C1 ZINC000710843081 1086689784 /nfs/dbraw/zinc/68/97/84/1086689784.db2.gz CSHILMJMKPBKNB-UHFFFAOYSA-N 1 0 304.481 2.249 10 0 DEAERO COc1ccncc1C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710873730 1086689906 /nfs/dbraw/zinc/68/99/06/1086689906.db2.gz GEBYDGQOOMFFIZ-UHFFFAOYSA-N 1 0 307.394 2.047 10 0 DEAERO Cc1n[nH]cc1CCC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710944039 1086691727 /nfs/dbraw/zinc/69/17/27/1086691727.db2.gz ZHENWKVXGLWTTG-UHFFFAOYSA-N 1 0 308.426 2.107 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000711419517 1087099733 /nfs/dbraw/zinc/09/97/33/1087099733.db2.gz PMYJPGJOQMIZFA-MCIONIFRSA-N 1 0 309.454 2.116 10 0 DEAERO Cn1ccc(C[NH2+][C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)n1 ZINC000711614675 1087174186 /nfs/dbraw/zinc/17/41/86/1087174186.db2.gz JWZBYVMYOUEJEL-PBHICJAKSA-N 1 0 320.437 2.442 10 0 DEAERO Cn1ccnc1C[NH2+][C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711626007 1087177166 /nfs/dbraw/zinc/17/71/66/1087177166.db2.gz RULRCKZZEGKERE-DYVFJYSZSA-N 1 0 320.437 2.442 10 0 DEAERO COc1cc(C[NH2+][C@]23C[C@H]2COC3)cc(Br)c1O ZINC000718061231 1087795707 /nfs/dbraw/zinc/79/57/07/1087795707.db2.gz ILHHGCVCWRBSBG-ZANVPECISA-N 1 0 314.179 2.042 10 0 DEAERO Cc1nc(C[NH2+]CCC2(C)OCCO2)sc1Br ZINC000719257396 1088914629 /nfs/dbraw/zinc/91/46/29/1088914629.db2.gz CFUJCMRUVIKKSU-UHFFFAOYSA-N 1 0 321.240 2.457 10 0 DEAERO C[NH2+][C@H]1CCCN(Cc2nc(C)c(Br)s2)C1 ZINC000719251053 1088915050 /nfs/dbraw/zinc/91/50/50/1088915050.db2.gz HVCACTCMBQXDAY-VIFPVBQESA-N 1 0 304.257 2.398 10 0 DEAERO CO[C@@]1(C[NH2+]C[C@H](O)c2ccc(F)cc2F)CCSC1 ZINC000719326677 1088954441 /nfs/dbraw/zinc/95/44/41/1088954441.db2.gz SNXMYYHFZHNETM-UONOGXRCSA-N 1 0 303.374 2.110 10 0 DEAERO Cc1conc1CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000720380806 1089024513 /nfs/dbraw/zinc/02/45/13/1089024513.db2.gz VLROLRVLLFSBOT-SFHVURJKSA-N 1 0 315.417 2.052 10 0 DEAERO COC[C@@H](CO)[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719541222 1089289535 /nfs/dbraw/zinc/28/95/35/1089289535.db2.gz XKNRBNFYBDVDJH-GFCCVEGCSA-N 1 0 302.212 2.163 10 0 DEAERO COc1nsc(C[NH2+][C@@H]2CCN(C)[C@H]2C)c1Br ZINC000719608229 1089327736 /nfs/dbraw/zinc/32/77/36/1089327736.db2.gz FDGDABWRTUJYMB-JGVFFNPUSA-N 1 0 320.256 2.096 10 0 DEAERO CN1CCCC[C@@H]1C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724038286 1143897462 /nfs/dbraw/zinc/89/74/62/1143897462.db2.gz YAIUWRUINPNCIL-NXEZZACHSA-N 1 0 304.303 2.009 10 0 DEAERO C[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)C(=O)NCc1ccco1 ZINC000136107524 282083800 /nfs/dbraw/zinc/08/38/00/282083800.db2.gz ZSSWIQDTAYEVEF-ZDUSSCGKSA-N 1 0 324.384 2.464 10 0 DEAERO C[NH2+][C@@H](CSCCC(=O)OC)c1ccc2c(c1)OCCO2 ZINC000081791370 192324409 /nfs/dbraw/zinc/32/44/09/192324409.db2.gz IVSMHSCEQAFTKF-LBPRGKRZSA-N 1 0 311.403 2.015 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081812676 192328395 /nfs/dbraw/zinc/32/83/95/192328395.db2.gz KKSLYMRDBOXBRT-HNNXBMFYSA-N 1 0 321.469 2.440 10 0 DEAERO C[NH2+][C@H]1CCC2(C[C@@H]1Sc1nc(C)cs1)OCCO2 ZINC000081870545 192333279 /nfs/dbraw/zinc/33/32/79/192333279.db2.gz PVDPTCFWQHUIKV-QWRGUYRKSA-N 1 0 300.449 2.427 10 0 DEAERO Cc1ccc([C@H]([NH3+])CSc2n[nH]c(=O)n2C2CC2)c(C)c1 ZINC000081880043 192333960 /nfs/dbraw/zinc/33/39/60/192333960.db2.gz HZCVEXKEDAXQOA-CYBMUJFWSA-N 1 0 304.419 2.315 10 0 DEAERO CC(C)Cc1ccc([C@H]([NH3+])CSc2n[nH]c(=O)n2C)cc1 ZINC000081880342 192334092 /nfs/dbraw/zinc/33/40/92/192334092.db2.gz MFGJRCJYYQNJEG-CYBMUJFWSA-N 1 0 306.435 2.099 10 0 DEAERO CCC[NH2+][C@H](CSc1n[nH]c(=O)n1C)c1ccccc1C ZINC000081880666 192334111 /nfs/dbraw/zinc/33/41/11/192334111.db2.gz AWYNRJZHQIZMBF-CYBMUJFWSA-N 1 0 306.435 2.250 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@H]1Sc1cc(C)nn1C)OCCO2 ZINC000081884893 192334407 /nfs/dbraw/zinc/33/44/07/192334407.db2.gz IWOHFOOMVHKWEP-QWHCGFSZSA-N 1 0 311.451 2.094 10 0 DEAERO COCCN1CCN(C(=O)CCc2cc(C)cc(C)c2)C[C@H]1C ZINC000151161082 282112293 /nfs/dbraw/zinc/11/22/93/282112293.db2.gz SBQSETRKWBZLPR-QGZVFWFLSA-N 1 0 318.461 2.415 10 0 DEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000081921132 192338413 /nfs/dbraw/zinc/33/84/13/192338413.db2.gz NEVQKDNHJWMQBW-CVEARBPZSA-N 1 0 305.374 2.485 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000081933348 192341209 /nfs/dbraw/zinc/34/12/09/192341209.db2.gz LKDUQMUKIITORP-GFCCVEGCSA-N 1 0 318.236 2.221 10 0 DEAERO Cn1cc([C@H](C[NH3+])Nc2ccc(F)c(Br)c2)cn1 ZINC000163812974 197650428 /nfs/dbraw/zinc/65/04/28/197650428.db2.gz GWBPUGASYRKILR-LBPRGKRZSA-N 1 0 313.174 2.434 10 0 DEAERO CC[NH2+][C@@H](C)[C@H](C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936149 192342117 /nfs/dbraw/zinc/34/21/17/192342117.db2.gz YYHVNYYOKMGJPU-RYUDHWBXSA-N 1 0 313.419 2.008 10 0 DEAERO CC[NH2+][C@@H](C)[C@@H](C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936144 192342835 /nfs/dbraw/zinc/34/28/35/192342835.db2.gz YYHVNYYOKMGJPU-NWDGAFQWSA-N 1 0 313.419 2.008 10 0 DEAERO [NH3+][C@@H]([C@H](CO)Sc1ncccc1Br)C1CC1 ZINC000164659919 197659802 /nfs/dbraw/zinc/65/98/02/197659802.db2.gz PIHNBVFLNKBMIR-VHSXEESVSA-N 1 0 303.225 2.034 10 0 DEAERO CC[C@@H](C)S(=O)(=O)C[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000081937076 192343439 /nfs/dbraw/zinc/34/34/39/192343439.db2.gz HCQXUQLHQGKDGX-DGCLKSJQSA-N 1 0 315.435 2.178 10 0 DEAERO CC[NH2+][C@H](CC)[C@@H](C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935448 192343452 /nfs/dbraw/zinc/34/34/52/192343452.db2.gz JXJKRZJZAPGQPN-DGCLKSJQSA-N 1 0 313.419 2.008 10 0 DEAERO c1cc(-c2nnc(N3CC[NH+](C4CC4)CC3)n2CC2CC2)co1 ZINC000612783309 361915030 /nfs/dbraw/zinc/91/50/30/361915030.db2.gz XFAWMBDXBFXMSL-UHFFFAOYSA-N 1 0 313.405 2.233 10 0 DEAERO COCC[NH2+]CCCS(=O)(=O)c1ccc2ccccc2c1 ZINC000081945633 192345188 /nfs/dbraw/zinc/34/51/88/192345188.db2.gz WTXCHWCOMNTZEP-UHFFFAOYSA-N 1 0 307.415 2.240 10 0 DEAERO COCCN(Cc1cccs1)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079528595 185173905 /nfs/dbraw/zinc/17/39/05/185173905.db2.gz YKLFSDZYFFJLOB-DHMWGJHJSA-N 1 0 308.447 2.097 10 0 DEAERO C[N@@H+]1CCC[C@@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000082311637 185175260 /nfs/dbraw/zinc/17/52/60/185175260.db2.gz VWXPLNJYNJHVCH-HNNXBMFYSA-N 1 0 319.424 2.206 10 0 DEAERO Cc1cccc(N2CCN(C(=O)C[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000082314474 185175344 /nfs/dbraw/zinc/17/53/44/185175344.db2.gz SQGNCPXYGXSXDL-KRWDZBQOSA-N 1 0 315.461 2.376 10 0 DEAERO Cc1cccc(N2CCN(C(=O)C[C@@H]3CCC[N@H+]3C)CC2)c1C ZINC000082314866 185175420 /nfs/dbraw/zinc/17/54/20/185175420.db2.gz URCDSFYTQRMOQV-KRWDZBQOSA-N 1 0 315.461 2.436 10 0 DEAERO CN(Cc1csc(Br)c1)C[C@@]1([NH3+])CCOC1 ZINC000082986637 185210335 /nfs/dbraw/zinc/21/03/35/185210335.db2.gz VOIMKHDEDLXQKV-NSHDSACASA-N 1 0 305.241 2.060 10 0 DEAERO C[NH2+][C@H](c1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 ZINC000082998705 185210781 /nfs/dbraw/zinc/21/07/81/185210781.db2.gz UUDBVQDGSACLHK-XVKPBYJWSA-N 1 0 324.265 2.206 10 0 DEAERO CCOc1cccc(C[N@@H+]2CCC[C@H]2CN(C(C)=O)C2CC2)n1 ZINC000328629775 231263227 /nfs/dbraw/zinc/26/32/27/231263227.db2.gz IQNJALLDPFJLIN-KRWDZBQOSA-N 1 0 317.433 2.456 10 0 DEAERO C[C@@H](CCCO)[NH2+][C@H](CN)c1cc(Br)cs1 ZINC000087359041 185222708 /nfs/dbraw/zinc/22/27/08/185222708.db2.gz DEIVRAXOCALZIV-WCBMZHEXSA-N 1 0 307.257 2.261 10 0 DEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000087403979 185223818 /nfs/dbraw/zinc/22/38/18/185223818.db2.gz XYPSSRAOMJFEIB-JTQLQIEISA-N 1 0 311.234 2.399 10 0 DEAERO CC(C)c1nnsc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000087442884 185225163 /nfs/dbraw/zinc/22/51/63/185225163.db2.gz HRIWDRXUZNFAAA-NWDGAFQWSA-N 1 0 308.451 2.408 10 0 DEAERO C[C@@H](CC[NH3+])C(=O)Nc1ccccc1I ZINC000087635103 185229783 /nfs/dbraw/zinc/22/97/83/185229783.db2.gz PRJLSHNXZDIIQE-QMMMGPOBSA-N 1 0 318.158 2.215 10 0 DEAERO [NH3+][C@@H]1CC[C@](O)(Cc2ccc(I)cc2)C1 ZINC000087653947 185229876 /nfs/dbraw/zinc/22/98/76/185229876.db2.gz JUGMKMLNCNPMMV-NEPJUHHUSA-N 1 0 317.170 2.076 10 0 DEAERO NNc1cc(NCc2ccc(Br)s2)nc[nH+]1 ZINC000087880147 185234578 /nfs/dbraw/zinc/23/45/78/185234578.db2.gz ISSUYPBZHONEPP-UHFFFAOYSA-N 1 0 300.185 2.198 10 0 DEAERO COCC[NH2+]Cc1cccc(Br)c1OCOC ZINC000087888249 185234718 /nfs/dbraw/zinc/23/47/18/185234718.db2.gz JKCQTYTZFZLVQO-UHFFFAOYSA-N 1 0 304.184 2.168 10 0 DEAERO COc1ccc(Br)c(C[C@@]2(C[NH3+])CCC[C@@H]2O)c1 ZINC000087931905 185237642 /nfs/dbraw/zinc/23/76/42/185237642.db2.gz VPWVJEVLTHPDBK-UONOGXRCSA-N 1 0 314.223 2.490 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)[C@@H]1COc2ccccc2C1 ZINC000088021235 185237880 /nfs/dbraw/zinc/23/78/80/185237880.db2.gz YFSZUTIXEBZMFC-LSDHHAIUSA-N 1 0 311.447 2.041 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)[C@@H]1CCOc2ccccc21 ZINC000088020254 185238034 /nfs/dbraw/zinc/23/80/34/185238034.db2.gz XMWGJULCVIIJOA-UKRRQHHQSA-N 1 0 311.447 2.356 10 0 DEAERO COc1ccc(Br)cc1C[S@@](=O)[C@@H](C)C[NH3+] ZINC000088067719 185238612 /nfs/dbraw/zinc/23/86/12/185238612.db2.gz VPLSQOFRBDTANI-PWJLMRLQSA-N 1 0 306.225 2.054 10 0 DEAERO Nc1[nH+]c2ccc(Br)cc2n1CCn1cccn1 ZINC000087837031 185233208 /nfs/dbraw/zinc/23/32/08/185233208.db2.gz KFVFXUWPRAOJJN-UHFFFAOYSA-N 1 0 306.167 2.278 10 0 DEAERO CS(=O)(=O)c1ccc(C[NH2+]CCc2cccc(N)c2)cc1 ZINC000087846294 185233215 /nfs/dbraw/zinc/23/32/15/185233215.db2.gz PHTNHOHGHUQWRR-UHFFFAOYSA-N 1 0 304.415 2.005 10 0 DEAERO Brc1ccc2nnc(CC[C@H]3CCC[NH2+]C3)n2c1 ZINC000087846862 185233423 /nfs/dbraw/zinc/23/34/23/185233423.db2.gz OTXPHNTXRGXVNQ-SNVBAGLBSA-N 1 0 309.211 2.424 10 0 DEAERO CN(Cc1csc(Br)c1)c1cc(NN)[nH+]cn1 ZINC000087866193 185233920 /nfs/dbraw/zinc/23/39/20/185233920.db2.gz AHGNKIJBVWBGTK-UHFFFAOYSA-N 1 0 314.212 2.223 10 0 DEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1c2nsnc2ccc1Cl ZINC000088128044 185240345 /nfs/dbraw/zinc/24/03/45/185240345.db2.gz RLBIORWAPOKPDH-JTQLQIEISA-N 1 0 308.794 2.202 10 0 DEAERO [NH3+]C1(C(=O)Nc2c3nsnc3c(Cl)cc2Cl)CC1 ZINC000088130101 185240420 /nfs/dbraw/zinc/24/04/20/185240420.db2.gz YAQUGWBJDDETRG-UHFFFAOYSA-N 1 0 303.174 2.428 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)C1 ZINC000171082005 282199221 /nfs/dbraw/zinc/19/92/21/282199221.db2.gz LLJFPENKRMPYPW-GFCCVEGCSA-N 1 0 305.378 2.362 10 0 DEAERO C[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000088312120 185245222 /nfs/dbraw/zinc/24/52/22/185245222.db2.gz FWONNEGZAKHQRP-RYUDHWBXSA-N 1 0 324.229 2.144 10 0 DEAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)N1CCCCc2ccccc21 ZINC000088337500 185246406 /nfs/dbraw/zinc/24/64/06/185246406.db2.gz HOUNEPUCCRIDAQ-CQSZACIVSA-N 1 0 308.447 2.159 10 0 DEAERO O=S(=O)(c1ccccc1F)N1CC[NH2+]CC12CCCCC2 ZINC000088396233 185248398 /nfs/dbraw/zinc/24/83/98/185248398.db2.gz CMRXHNWMOVXYFA-UHFFFAOYSA-N 1 0 312.410 2.123 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)o1 ZINC000088544283 185256896 /nfs/dbraw/zinc/25/68/96/185256896.db2.gz GQFGRWWPUFDURF-UHFFFAOYSA-N 1 0 308.403 2.441 10 0 DEAERO CC1CCC([NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000088539781 185255360 /nfs/dbraw/zinc/25/53/60/185255360.db2.gz VUSLPBPCSJBOPQ-UHFFFAOYSA-N 1 0 300.424 2.198 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2C)o1 ZINC000088551634 185257453 /nfs/dbraw/zinc/25/74/53/185257453.db2.gz SCGABPYOUBBODB-WCQYABFASA-N 1 0 300.424 2.246 10 0 DEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)NC)o1 ZINC000088540203 185255724 /nfs/dbraw/zinc/25/57/24/185255724.db2.gz NJCSLEOPHBJAAP-YPMHNXCESA-N 1 0 300.424 2.246 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+]C2CCC(C)(C)CC2)o1 ZINC000088540846 185255810 /nfs/dbraw/zinc/25/58/10/185255810.db2.gz RAEDJAGNUTUBQS-UHFFFAOYSA-N 1 0 300.424 2.246 10 0 DEAERO CC[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088542942 185256069 /nfs/dbraw/zinc/25/60/69/185256069.db2.gz AJTHHDFXRQWKJC-NEPJUHHUSA-N 1 0 302.440 2.491 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)o1 ZINC000088543346 185256256 /nfs/dbraw/zinc/25/62/56/185256256.db2.gz FDKDRPFSJWPZMK-VXGBXAGGSA-N 1 0 300.424 2.056 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H]2C2CCCC2)o1 ZINC000088544197 185256570 /nfs/dbraw/zinc/25/65/70/185256570.db2.gz XYOFPIIDCRNGLF-AWEZNQCLSA-N 1 0 312.435 2.342 10 0 DEAERO C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(C[NH2+]C3CC3)o2)C1 ZINC000088713678 185262797 /nfs/dbraw/zinc/26/27/97/185262797.db2.gz LNKDMURIIKYNCU-VXGBXAGGSA-N 1 0 312.435 2.341 10 0 DEAERO CCn1ncnc1C[C@](C)([NH3+])c1cccc(Br)c1 ZINC000088607023 185259901 /nfs/dbraw/zinc/25/99/01/185259901.db2.gz WYLHCHMLESRCRB-ZDUSSCGKSA-N 1 0 309.211 2.477 10 0 DEAERO CCn1ncnc1C[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000088610123 185259936 /nfs/dbraw/zinc/25/99/36/185259936.db2.gz QQOKNVBGSRRSJZ-GFCCVEGCSA-N 1 0 309.211 2.173 10 0 DEAERO Nc1c2ccccc2sc1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000088638038 185260451 /nfs/dbraw/zinc/26/04/51/185260451.db2.gz GPHZCQUBFKTQMB-GFCCVEGCSA-N 1 0 301.415 2.308 10 0 DEAERO CC[C@@H]([NH2+]C)c1nnc(-c2cccc(S(C)(=O)=O)c2)s1 ZINC000088824440 185266523 /nfs/dbraw/zinc/26/65/23/185266523.db2.gz ZPYLGTCEKRPGER-LLVKDONJSA-N 1 0 311.432 2.279 10 0 DEAERO C[NH2+]Cc1cn(Cc2coc(-c3ccc(Cl)cc3)n2)nn1 ZINC000090295765 185289802 /nfs/dbraw/zinc/28/98/02/185289802.db2.gz XJEFMCZDXRRJEL-UHFFFAOYSA-N 1 0 303.753 2.354 10 0 DEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1cccc(Cl)c1Cl ZINC000090311555 185290460 /nfs/dbraw/zinc/29/04/60/185290460.db2.gz XBGZFPPHEKBYTG-UMNHJUIQSA-N 1 0 303.189 2.228 10 0 DEAERO Cc1ccc(Br)cc1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C ZINC000090324720 185291126 /nfs/dbraw/zinc/29/11/26/185291126.db2.gz DVBKGJLWMZMHKC-MJVIPROJSA-N 1 0 323.234 2.437 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1Cc1noc(-c2cccs2)n1 ZINC000090337243 185291776 /nfs/dbraw/zinc/29/17/76/185291776.db2.gz ZXMBHSHTOBCYRI-MNOVXSKESA-N 1 0 304.419 2.228 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000090490114 185299064 /nfs/dbraw/zinc/29/90/64/185299064.db2.gz IYJCZKXCDRMOEZ-CORIIIEPSA-N 1 0 310.825 2.484 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000090434848 185296251 /nfs/dbraw/zinc/29/62/51/185296251.db2.gz UHKJUOKRHNJBBQ-YPMHNXCESA-N 1 0 317.216 2.186 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(-c3nccs3)cc2)COC[C@@H]1[NH3+] ZINC000090589666 185305355 /nfs/dbraw/zinc/30/53/55/185305355.db2.gz LMBFDXQGFXLJSV-WFASDCNBSA-N 1 0 303.387 2.112 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1NCC[C@H]1CCC[NH2+]1 ZINC000166851922 197699972 /nfs/dbraw/zinc/69/99/72/197699972.db2.gz GZSJIROZUPQUHI-SNVBAGLBSA-N 1 0 301.312 2.358 10 0 DEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccc(F)c(F)c1 ZINC000090699867 185310336 /nfs/dbraw/zinc/31/03/36/185310336.db2.gz DURZPAFHGSDVEC-LBPRGKRZSA-N 1 0 314.401 2.474 10 0 DEAERO O=C(CSCC1C[NH2+]C1)Nc1ccccc1Br ZINC000090712223 185311166 /nfs/dbraw/zinc/31/11/66/185311166.db2.gz OXMJLEBZXAPOTG-UHFFFAOYSA-N 1 0 315.236 2.340 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(OCC(F)F)nc1 ZINC000090614923 185306857 /nfs/dbraw/zinc/30/68/57/185306857.db2.gz XNFTWCKUMKUTRY-LLVKDONJSA-N 1 0 315.364 2.186 10 0 DEAERO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)C(C)(C)C ZINC000091855227 299090332 /nfs/dbraw/zinc/09/03/32/299090332.db2.gz RHZKTHUFIWSLAK-HOTGVXAUSA-N 1 0 324.513 2.233 10 0 DEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1S(=O)(=O)CC(C)C ZINC000092388617 185315404 /nfs/dbraw/zinc/31/54/04/185315404.db2.gz YWXNHLOMXNZKSS-JKSUJKDBSA-N 1 0 311.447 2.341 10 0 DEAERO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000180238674 282235992 /nfs/dbraw/zinc/23/59/92/282235992.db2.gz ONRGMRSDCFEJLH-QLFBSQMISA-N 1 0 311.470 2.316 10 0 DEAERO COc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)cc2c1OCCO2 ZINC000092756508 185338166 /nfs/dbraw/zinc/33/81/66/185338166.db2.gz OJRZZCZTDOXWLH-HNNXBMFYSA-N 1 0 318.417 2.137 10 0 DEAERO CC[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1nccs1 ZINC000185095596 282260014 /nfs/dbraw/zinc/26/00/14/282260014.db2.gz FXIOJJHROMYADB-CYBMUJFWSA-N 1 0 315.398 2.480 10 0 DEAERO C[NH2+]Cc1ccc(C)c(S(=O)(=O)NC2C(C)(C)C2(C)C)c1 ZINC000092833198 185344872 /nfs/dbraw/zinc/34/48/72/185344872.db2.gz PJGSLIPNLFSHIF-UHFFFAOYSA-N 1 0 310.463 2.427 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000092955927 185350297 /nfs/dbraw/zinc/35/02/97/185350297.db2.gz SBQPOYGGFWMIGM-GXSJLCMTSA-N 1 0 310.419 2.478 10 0 DEAERO COc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)cc1OC(F)F ZINC000092953029 185350302 /nfs/dbraw/zinc/35/03/02/185350302.db2.gz MWVNHYWGIHYQLV-SCZZXKLOSA-N 1 0 300.305 2.233 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000092955928 185350318 /nfs/dbraw/zinc/35/03/18/185350318.db2.gz SBQPOYGGFWMIGM-ONGXEEELSA-N 1 0 310.419 2.478 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000092955865 185350401 /nfs/dbraw/zinc/35/04/01/185350401.db2.gz MVLKNWLJWXRRIG-GXSJLCMTSA-N 1 0 310.419 2.424 10 0 DEAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000092951635 185350463 /nfs/dbraw/zinc/35/04/63/185350463.db2.gz BQFYHOGHMUTITN-GHMZBOCLSA-N 1 0 304.781 2.462 10 0 DEAERO CC[NH2+][C@@H](Cc1cccc(Br)c1)c1cnnn1C ZINC000168422820 197722753 /nfs/dbraw/zinc/72/27/53/197722753.db2.gz KNZNELZEVAHZEU-LBPRGKRZSA-N 1 0 309.211 2.471 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)OCc1ccccc1 ZINC000181459092 199299715 /nfs/dbraw/zinc/29/97/15/199299715.db2.gz GJYIOXNTROLQFM-NVXWUHKLSA-N 1 0 302.418 2.288 10 0 DEAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@@H](C)S(C)(=O)=O ZINC000168588824 197725606 /nfs/dbraw/zinc/72/56/06/197725606.db2.gz SNWAECZYKMFEIU-RNCFNFMXSA-N 1 0 307.818 2.433 10 0 DEAERO Brc1cncc(CN2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000168863469 197730910 /nfs/dbraw/zinc/73/09/10/197730910.db2.gz QIQDVKXTQKVWGU-CQSZACIVSA-N 1 0 310.239 2.418 10 0 DEAERO COc1ccc2[nH]c(C(=O)N3CCC([NH+](C)C)CC3)cc2c1 ZINC000189081081 282307023 /nfs/dbraw/zinc/30/70/23/282307023.db2.gz DQTXWSPDWJGWGA-UHFFFAOYSA-N 1 0 301.390 2.343 10 0 DEAERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000188205535 529929511 /nfs/dbraw/zinc/92/95/11/529929511.db2.gz CQHVLDJRUGFHHG-LSDHHAIUSA-N 1 0 311.470 2.460 10 0 DEAERO CN1CC[C@@H](C[N@H+](C)[C@@H]2CCCC[C@@H]2O)[C@@H]1c1cccnc1 ZINC000328649779 529955123 /nfs/dbraw/zinc/95/51/23/529955123.db2.gz VCHNCXOESHLYPT-MHORFTMASA-N 1 0 303.450 2.310 10 0 DEAERO CN1CC[C@@H](C[N@H+](C)[C@@H]2CCCC[C@H]2O)[C@@H]1c1cccnc1 ZINC000328649780 529955134 /nfs/dbraw/zinc/95/51/34/529955134.db2.gz VCHNCXOESHLYPT-MLHJIOFPSA-N 1 0 303.450 2.310 10 0 DEAERO C[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)[C@@H]1OCCc2sccc21 ZINC000333579032 282962392 /nfs/dbraw/zinc/96/23/92/282962392.db2.gz NKWSLUKLGIETHR-ZOWXZIJZSA-N 1 0 323.462 2.192 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)COC)Cc1ccccc1 ZINC000103430125 185451194 /nfs/dbraw/zinc/45/11/94/185451194.db2.gz XVSORDFBNCXFIW-DOTOQJQBSA-N 1 0 306.450 2.338 10 0 DEAERO CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178085108 282352015 /nfs/dbraw/zinc/35/20/15/282352015.db2.gz PXBFNQAHBCZMGN-CQSZACIVSA-N 1 0 323.481 2.014 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000245511152 282394304 /nfs/dbraw/zinc/39/43/04/282394304.db2.gz XQHABBHFPDSIIJ-HOSILWTGSA-N 1 0 311.470 2.314 10 0 DEAERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc2c(c1)OCCCO2 ZINC000125599676 539473431 /nfs/dbraw/zinc/47/34/31/539473431.db2.gz IUVDZZQHUVOIGY-KDOFPFPSSA-N 1 0 321.417 2.288 10 0 DEAERO CNS(=O)(=O)c1ccc(Nc2ccccc2[C@H](C)[NH3+])cc1 ZINC000111379480 185590675 /nfs/dbraw/zinc/59/06/75/185590675.db2.gz DBANFIDWNAPYTN-NSHDSACASA-N 1 0 305.403 2.358 10 0 DEAERO CC(C)(C)[NH2+]Cc1ccc(Sc2nc(N)cc(=O)[nH]2)cc1 ZINC000111570630 185614099 /nfs/dbraw/zinc/61/40/99/185614099.db2.gz HQSKHNRWEXWKFG-UHFFFAOYSA-N 1 0 304.419 2.391 10 0 DEAERO c1ncc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)s1 ZINC000135831785 539516754 /nfs/dbraw/zinc/51/67/54/539516754.db2.gz LMVWJMSJFKNNDL-INIZCTEOSA-N 1 0 303.431 2.306 10 0 DEAERO CC[NH2+][C@@H](C)C1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000111717459 185630349 /nfs/dbraw/zinc/63/03/49/185630349.db2.gz VHDIHMJFNVPEBG-ZDUSSCGKSA-N 1 0 310.463 2.305 10 0 DEAERO CC[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C)C1 ZINC000111719284 185630862 /nfs/dbraw/zinc/63/08/62/185630862.db2.gz IMBBLFHJWJKCMM-CYBMUJFWSA-N 1 0 314.426 2.144 10 0 DEAERO COc1cc(NC(=O)C[C@H]2CC[NH2+]C2)ccc1Br ZINC000119515573 185756032 /nfs/dbraw/zinc/75/60/32/185756032.db2.gz DPZXZRBLKIRDHO-SECBINFHSA-N 1 0 313.195 2.396 10 0 DEAERO C[C@@H](CCOCc1ccccc1)[NH2+]C1CCN(C(N)=O)CC1 ZINC000286888124 219210535 /nfs/dbraw/zinc/21/05/35/219210535.db2.gz CVXYYSMBJBVHNW-AWEZNQCLSA-N 1 0 305.422 2.115 10 0 DEAERO COC(=O)c1coc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000183428691 199593873 /nfs/dbraw/zinc/59/38/73/199593873.db2.gz RQNFGGFGZYLNTO-UHFFFAOYSA-N 1 0 308.378 2.059 10 0 DEAERO O=C(NCC1(c2ccccn2)CCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000333816006 282971573 /nfs/dbraw/zinc/97/15/73/282971573.db2.gz KCMHYCNHJVXMOX-UHFFFAOYSA-N 1 0 314.433 2.041 10 0 DEAERO [NH3+][C@@H](C(=O)N1CCO[C@H](c2cccs2)C1)c1ccccc1 ZINC000156187583 539563474 /nfs/dbraw/zinc/56/34/74/539563474.db2.gz GAZKFCVSOQRMGH-DZGCQCFKSA-N 1 0 302.399 2.348 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cccc(C(=O)OC)c1 ZINC000123586678 185822717 /nfs/dbraw/zinc/82/27/17/185822717.db2.gz MPTIXIIOFRPRSY-CYBMUJFWSA-N 1 0 321.421 2.003 10 0 DEAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)C(C)(C)S(C)(=O)=O ZINC000070127975 190860176 /nfs/dbraw/zinc/86/01/76/190860176.db2.gz HWCPIGULQLESNJ-LLVKDONJSA-N 1 0 312.435 2.119 10 0 DEAERO CSc1nnc(CCC[NH2+][C@@H]2CCCOC2)n1CC(C)C ZINC000165702743 539607387 /nfs/dbraw/zinc/60/73/87/539607387.db2.gz BCHMHLDSVIHMIA-CYBMUJFWSA-N 1 0 312.483 2.357 10 0 DEAERO CC[C@@H]([NH3+])Cc1c(Cl)cccc1-n1ccc(C(=O)NC)n1 ZINC000070328810 190881032 /nfs/dbraw/zinc/88/10/32/190881032.db2.gz KJTDLGIAVHOFCY-SNVBAGLBSA-N 1 0 306.797 2.165 10 0 DEAERO COCc1cc(N2CCC[NH2+]CC2)nc(-c2ccccc2F)n1 ZINC000070451939 190894526 /nfs/dbraw/zinc/89/45/26/190894526.db2.gz RCOWSQFIRLFKNK-UHFFFAOYSA-N 1 0 316.380 2.229 10 0 DEAERO [NH3+][C@@H]1CCCN(c2nccn3nc(-c4ccc(F)cc4)cc23)C1 ZINC000070458561 190897597 /nfs/dbraw/zinc/89/75/97/190897597.db2.gz JBULBJJKTKBGSB-CQSZACIVSA-N 1 0 311.364 2.463 10 0 DEAERO O=C1NCCN1C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000182921692 539658567 /nfs/dbraw/zinc/65/85/67/539658567.db2.gz RZUFZGAUTMAHFF-UHFFFAOYSA-N 1 0 310.401 2.224 10 0 DEAERO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)C2CC2)o1 ZINC000183124807 539659598 /nfs/dbraw/zinc/65/95/98/539659598.db2.gz QTIRVYKXURMFFM-BBRMVZONSA-N 1 0 306.406 2.236 10 0 DEAERO CCO[C@H](C)C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000130043326 185931606 /nfs/dbraw/zinc/93/16/06/185931606.db2.gz DCVWGOOLQOAZGF-TZMCWYRMSA-N 1 0 301.814 2.232 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccco1)n1cc(I)cn1 ZINC000070677352 190910556 /nfs/dbraw/zinc/91/05/56/190910556.db2.gz IELIQOKHGYVQJW-OIBJUYFYSA-N 1 0 317.130 2.017 10 0 DEAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(I)cc1 ZINC000083604096 192375327 /nfs/dbraw/zinc/37/53/27/192375327.db2.gz CSVJOVPJGQBJBJ-MRVPVSSYSA-N 1 0 318.158 2.215 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cnc(-c2ncccn2)s1 ZINC000130097777 185936505 /nfs/dbraw/zinc/93/65/05/185936505.db2.gz LLMCBZHNCZSJEL-LLVKDONJSA-N 1 0 319.434 2.060 10 0 DEAERO C[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccc2ccccc2c1 ZINC000192479752 539707169 /nfs/dbraw/zinc/70/71/69/539707169.db2.gz ZJBZUVBAHDLHNO-ZDUSSCGKSA-N 1 0 323.396 2.088 10 0 DEAERO CSCC[C@@H]([NH3+])c1nnc2ccc(Br)cn21 ZINC000083739813 192380245 /nfs/dbraw/zinc/38/02/45/192380245.db2.gz IRXLURJCLIOZLH-MRVPVSSYSA-N 1 0 301.213 2.245 10 0 DEAERO O=C1[C@H]([NH2+]C2CC2)CCN1Cc1cc(Br)cs1 ZINC000071321655 190957370 /nfs/dbraw/zinc/95/73/70/190957370.db2.gz BQKQPRRTBJDEHT-LLVKDONJSA-N 1 0 315.236 2.364 10 0 DEAERO CC[C@H]1CN(c2ccccc2)CCN1C(=O)CCc1c[nH]cn1 ZINC000193821690 539715591 /nfs/dbraw/zinc/71/55/91/539715591.db2.gz CTJLNJPVISYDGA-INIZCTEOSA-N 1 0 312.417 2.470 10 0 DEAERO Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)ccn1C ZINC000195256500 539721057 /nfs/dbraw/zinc/72/10/57/539721057.db2.gz RWQCPILOJSRHBE-UHFFFAOYSA-N 1 0 319.449 2.098 10 0 DEAERO CCC[NH2+][C@@H](C[S@@](=O)CCOC)c1cc(C)ccc1OC ZINC000084036266 192397043 /nfs/dbraw/zinc/39/70/43/192397043.db2.gz GMGWRWOTMQSXRY-YCRPNKLZSA-N 1 0 313.463 2.439 10 0 DEAERO CCOC[C@@H](Cc1ccc(I)cc1)[NH2+]C ZINC000084064280 192399106 /nfs/dbraw/zinc/39/91/06/192399106.db2.gz YBGZBLIHCAFAMG-GFCCVEGCSA-N 1 0 319.186 2.458 10 0 DEAERO COC(=O)COC[C@H]([NH3+])c1cc(Br)sc1C ZINC000084007044 192394815 /nfs/dbraw/zinc/39/48/15/192394815.db2.gz OHSVCFAADIPVIM-QMMMGPOBSA-N 1 0 308.197 2.008 10 0 DEAERO CO[C@H](C)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000224202477 539729543 /nfs/dbraw/zinc/72/95/43/539729543.db2.gz KBGWVELQKDIBBO-NXEZZACHSA-N 1 0 308.205 2.358 10 0 DEAERO CCC[NH2+][C@H]1CCCN(S(=O)(=O)CCc2ccccc2)C1 ZINC000133308304 185973365 /nfs/dbraw/zinc/97/33/65/185973365.db2.gz NPFPHIHPODNEPE-INIZCTEOSA-N 1 0 310.463 2.023 10 0 DEAERO [NH3+]C1(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)CCCC1 ZINC000084181592 192410099 /nfs/dbraw/zinc/41/00/99/192410099.db2.gz CNFBEWJUFSNKMO-KGLIPLIRSA-N 1 0 312.479 2.161 10 0 DEAERO CCOC(=O)Cn1c2ccc(C)cc2nc1[C@H]1CCC[NH2+]C1 ZINC000071667179 191001592 /nfs/dbraw/zinc/00/15/92/191001592.db2.gz RWYVXVVZBYGONA-ZDUSSCGKSA-N 1 0 301.390 2.375 10 0 DEAERO COc1ccc(Cl)c2c1CN(Cc1cnn(C)c1)[C@H]2C[NH3+] ZINC000071684014 191008218 /nfs/dbraw/zinc/00/82/18/191008218.db2.gz KHROYPXGCOHSDQ-ZDUSSCGKSA-N 1 0 306.797 2.098 10 0 DEAERO [NH3+]Cc1ccccc1C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000071699878 191010251 /nfs/dbraw/zinc/01/02/51/191010251.db2.gz OHFDGVNRWGRBSZ-OAHLLOKOSA-N 1 0 304.777 2.262 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCC(NC(C)=O)CC1 ZINC000133704843 186008811 /nfs/dbraw/zinc/00/88/11/186008811.db2.gz QOCIHWHZHIFPLE-HOCLYGCPSA-N 1 0 309.479 2.435 10 0 DEAERO CCCCNS(=O)(=O)c1cc(C[NH2+]CC)cc(F)c1F ZINC000138633042 186018279 /nfs/dbraw/zinc/01/82/79/186018279.db2.gz HDQHOGHACLTRHS-UHFFFAOYSA-N 1 0 306.378 2.153 10 0 DEAERO [NH3+]CC1(c2nc3cc(Br)ccc3[nH]2)CCOCC1 ZINC000138151041 186014243 /nfs/dbraw/zinc/01/42/43/186014243.db2.gz ASLSIDQNPMTBTN-UHFFFAOYSA-N 1 0 310.195 2.332 10 0 DEAERO CCOc1cc2c(cc1C[N@@H+]1CCC[C@@](O)(CO)CC1)CCC2 ZINC000072143653 191049723 /nfs/dbraw/zinc/04/97/23/191049723.db2.gz BGQSIIXACYEPNN-IBGZPJMESA-N 1 0 319.445 2.283 10 0 DEAERO Brc1cc(C[NH2+]CCc2ncc[nH]2)cc2c1OCO2 ZINC000139125211 186020035 /nfs/dbraw/zinc/02/00/35/186020035.db2.gz UDCHJNGQGKTQHQ-UHFFFAOYSA-N 1 0 324.178 2.233 10 0 DEAERO [NH3+][C@H]1CC[C@H](c2nc(-c3ccc(Br)cn3)no2)C1 ZINC000139792533 186023830 /nfs/dbraw/zinc/02/38/30/186023830.db2.gz LXXJVYIYOPZFQF-CBAPKCEASA-N 1 0 309.167 2.489 10 0 DEAERO [NH3+]C1(Cc2nc(-c3ncccc3Br)no2)CCC1 ZINC000139884710 186024602 /nfs/dbraw/zinc/02/46/02/186024602.db2.gz QAQBQUSUHOKGQW-UHFFFAOYSA-N 1 0 309.167 2.318 10 0 DEAERO CCc1cc(C[C@H]([NH3+])c2ncccc2Br)n(C)n1 ZINC000140322204 186025931 /nfs/dbraw/zinc/02/59/31/186025931.db2.gz HHBMFRHJFQDFNH-LBPRGKRZSA-N 1 0 309.211 2.383 10 0 DEAERO CCC[C@@H]1N[C@@H](c2cccs2)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000142792808 186032400 /nfs/dbraw/zinc/03/24/00/186032400.db2.gz QVRQNXFHTKJFTO-VNHYZAJKSA-N 1 0 307.463 2.441 10 0 DEAERO CCC[NH2+][C@H](Cc1ncnn1C)c1ncccc1Br ZINC000140575059 186027420 /nfs/dbraw/zinc/02/74/20/186027420.db2.gz LQCIVXDYAWSULV-LLVKDONJSA-N 1 0 324.226 2.256 10 0 DEAERO CCC[C@@H]1N[C@@H](c2cccs2)N(C2CC[NH+](C)CC2)C1=O ZINC000141176770 186029184 /nfs/dbraw/zinc/02/91/84/186029184.db2.gz RVLGCZMRKVNYLT-DZGCQCFKSA-N 1 0 307.463 2.441 10 0 DEAERO CC[C@@]1(C)N[C@H](c2ccsc2)N(C2CC[NH+](C)CC2)C1=O ZINC000141183660 186029386 /nfs/dbraw/zinc/02/93/86/186029386.db2.gz LOMNBZVVILAQPF-GOEBONIOSA-N 1 0 307.463 2.441 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1nc(SC)ncc1Cl ZINC000147448122 186040113 /nfs/dbraw/zinc/04/01/13/186040113.db2.gz AUYGMLJVOVAIKK-SECBINFHSA-N 1 0 316.858 2.312 10 0 DEAERO Cc1ccc([C@H]2NCC(=O)N2[C@@H](CC(C)C)C[NH+](C)C)s1 ZINC000143962326 186034425 /nfs/dbraw/zinc/03/44/25/186034425.db2.gz CCMQFIGKVRXNBI-BBRMVZONSA-N 1 0 309.479 2.463 10 0 DEAERO CC[C@@H]1N[C@@H](c2ccsc2)N(C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000144252438 186035383 /nfs/dbraw/zinc/03/53/83/186035383.db2.gz QRWMOSUDKLTOHD-VHDGCEQUSA-N 1 0 307.463 2.299 10 0 DEAERO Cc1ccc([C@H]2NC3(CC3)C(=O)N2[C@H](C)CC[NH+](C)C)s1 ZINC000145733338 186038120 /nfs/dbraw/zinc/03/81/20/186038120.db2.gz SPCAGNSBIYCZCR-RISCZKNCSA-N 1 0 307.463 2.360 10 0 DEAERO CCNc1cc(N2CC[NH+](CC(C)C)CC2)nc(SC)n1 ZINC000149168358 186048015 /nfs/dbraw/zinc/04/80/15/186048015.db2.gz BZTPAAOGCFAPFS-UHFFFAOYSA-N 1 0 309.483 2.408 10 0 DEAERO CCN(C1(C[NH3+])CCCC1)S(=O)(=O)CCc1ccccc1 ZINC000149273323 186048700 /nfs/dbraw/zinc/04/87/00/186048700.db2.gz ULURPPAKCCNUSN-UHFFFAOYSA-N 1 0 310.463 2.152 10 0 DEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000149414531 186049762 /nfs/dbraw/zinc/04/97/62/186049762.db2.gz XXQWZROUCWRFKP-SKDRFNHKSA-N 1 0 302.296 2.454 10 0 DEAERO C[C@H](O)[C@](C[NH3+])(Cc1cn2ccsc2n1)c1ccccc1 ZINC000149588052 186051825 /nfs/dbraw/zinc/05/18/25/186051825.db2.gz UVGUAZDFCLVMAZ-BLLLJJGKSA-N 1 0 301.415 2.216 10 0 DEAERO [NH3+]Cc1cc2c(cc1OCc1cn3ccsc3n1)OCO2 ZINC000148642087 186045781 /nfs/dbraw/zinc/04/57/81/186045781.db2.gz SQWPAQNDJCTBGI-UHFFFAOYSA-N 1 0 303.343 2.162 10 0 DEAERO [NH3+][C@@H](Cc1csc([C@H]2CCS(=O)(=O)C2)n1)c1ccccc1 ZINC000150261024 186055878 /nfs/dbraw/zinc/05/58/78/186055878.db2.gz WPBIBYVLRYNNCF-JSGCOSHPSA-N 1 0 322.455 2.288 10 0 DEAERO CCC[NH2+][C@H]1CCCc2nc([C@H]3CCS(=O)(=O)C3)sc21 ZINC000150258448 186056388 /nfs/dbraw/zinc/05/63/88/186056388.db2.gz CYDLNXBLKFDMJS-QWRGUYRKSA-N 1 0 314.476 2.422 10 0 DEAERO CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C2 ZINC000261871783 539787851 /nfs/dbraw/zinc/78/78/51/539787851.db2.gz XYGKRCOUNKCGJT-BFHYXJOUSA-N 1 0 318.465 2.129 10 0 DEAERO COc1cccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1O ZINC000155669069 186101218 /nfs/dbraw/zinc/10/12/18/186101218.db2.gz YIIISOISNALLIN-CYBMUJFWSA-N 1 0 306.406 2.109 10 0 DEAERO [NH3+]Cc1cccc(NC(=O)C[S@@](=O)c2ccc(F)cc2)c1 ZINC000155920100 186123342 /nfs/dbraw/zinc/12/33/42/186123342.db2.gz OSTOEIAQMIRSPY-NRFANRHFSA-N 1 0 306.362 2.031 10 0 DEAERO COc1ccc(C[NH2+]C[C@@H](C)[S@](C)=O)cc1OC(F)F ZINC000159644659 186132698 /nfs/dbraw/zinc/13/26/98/186132698.db2.gz XYTHRWYYNHRCEQ-GSDQLPOLSA-N 1 0 307.362 2.153 10 0 DEAERO COc1ccc(Br)cc1C[NH2+]C[C@H](C)[S@@](C)=O ZINC000159653659 186133231 /nfs/dbraw/zinc/13/32/31/186133231.db2.gz JUNMBZMVIRUHGF-XYZCENFISA-N 1 0 320.252 2.314 10 0 DEAERO CCCc1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000171497690 186169174 /nfs/dbraw/zinc/16/91/74/186169174.db2.gz HDVPGQRSFNYQDO-UHFFFAOYSA-N 1 0 313.405 2.407 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-n3cccc3)c(F)c2)C1 ZINC000171508380 186170484 /nfs/dbraw/zinc/17/04/84/186170484.db2.gz FLTSYFQPDPSPDQ-AWEZNQCLSA-N 1 0 301.365 2.393 10 0 DEAERO COc1ccc(CCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173285107 186172437 /nfs/dbraw/zinc/17/24/37/186172437.db2.gz KNGPVWPRSCSODL-ZBFHGGJFSA-N 1 0 319.449 2.362 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N(CCO)CCOC ZINC000164181312 186151321 /nfs/dbraw/zinc/15/13/21/186151321.db2.gz YCVNVWPQGSBMBC-GJZGRUSLSA-N 1 0 300.830 2.059 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@@H](C)C[NH2+]CC ZINC000164212073 186152122 /nfs/dbraw/zinc/15/21/22/186152122.db2.gz QVCHUXUKFIWZRK-VIFPVBQESA-N 1 0 302.216 2.484 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OC)cc1 ZINC000173333527 186177546 /nfs/dbraw/zinc/17/75/46/186177546.db2.gz LUJYQDWTLWJVAS-JKSUJKDBSA-N 1 0 317.433 2.463 10 0 DEAERO COc1ccc2c(c1)CCN2C(=O)NCCC1CC[NH+](C)CC1 ZINC000171379790 197927275 /nfs/dbraw/zinc/92/72/75/197927275.db2.gz DVARGVYYULODLG-UHFFFAOYSA-N 1 0 317.433 2.499 10 0 DEAERO CC(C)OC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181903384 186217380 /nfs/dbraw/zinc/21/73/80/186217380.db2.gz IPLQJDHAQVLMCX-ZDUSSCGKSA-N 1 0 302.378 2.260 10 0 DEAERO COC(=O)c1ccc(Cl)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000181931488 186220462 /nfs/dbraw/zinc/22/04/62/186220462.db2.gz BVRRCPVTZZZLEV-CQSZACIVSA-N 1 0 308.809 2.407 10 0 DEAERO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000183829683 186221985 /nfs/dbraw/zinc/22/19/85/186221985.db2.gz YXJFWDDJHAICPW-HNNXBMFYSA-N 1 0 318.417 2.409 10 0 DEAERO O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)Nc1ccccc1F ZINC000171744143 197978329 /nfs/dbraw/zinc/97/83/29/197978329.db2.gz WTCYNMMELNZAIM-CQSZACIVSA-N 1 0 305.397 2.324 10 0 DEAERO O=C(NCCSc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171898859 198004006 /nfs/dbraw/zinc/00/40/06/198004006.db2.gz WHWCVDQXYGQMNC-CQSZACIVSA-N 1 0 305.447 2.268 10 0 DEAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000171994866 198022588 /nfs/dbraw/zinc/02/25/88/198022588.db2.gz XZAWFIREALVSFZ-MRXNPFEDSA-N 1 0 302.418 2.454 10 0 DEAERO CC(=O)c1ccccc1OCC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172041804 198030790 /nfs/dbraw/zinc/03/07/90/198030790.db2.gz MUUTTWXIPONWGS-MVVMVCHASA-N 1 0 303.402 2.361 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1nc2ccccc2[nH]1 ZINC000172058683 198033182 /nfs/dbraw/zinc/03/31/82/198033182.db2.gz ZDECCRFMAUMJFY-ZIAGYGMSSA-N 1 0 312.417 2.191 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2cccs2)no1 ZINC000172082711 198037093 /nfs/dbraw/zinc/03/70/93/198037093.db2.gz CIJAMAFPAMEPRC-NWDGAFQWSA-N 1 0 304.419 2.467 10 0 DEAERO CCC[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000172116227 198041662 /nfs/dbraw/zinc/04/16/62/198041662.db2.gz HGKYBWDBUOKYQE-IRXDYDNUSA-N 1 0 319.449 2.500 10 0 DEAERO Cc1ccc(NC(=O)N[C@@H]2CCCOC2)c(OCC[NH+](C)C)c1 ZINC000172502050 198107046 /nfs/dbraw/zinc/10/70/46/198107046.db2.gz PTRZUUKHJNDAMD-CQSZACIVSA-N 1 0 321.421 2.236 10 0 DEAERO Cc1nc(C)c(Br)c(N2CCC[C@H]2C[NH+](C)C)n1 ZINC000323190583 539905302 /nfs/dbraw/zinc/90/53/02/539905302.db2.gz MGYDWFGFGMXXTF-NSHDSACASA-N 1 0 313.243 2.386 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1cncc(F)c1 ZINC000329326642 539918262 /nfs/dbraw/zinc/91/82/62/539918262.db2.gz JMHFRXNCWRAUNS-MAZHCROVSA-N 1 0 321.396 2.041 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000173025504 198178312 /nfs/dbraw/zinc/17/83/12/198178312.db2.gz APEBYCGXDLMBDU-SECBINFHSA-N 1 0 324.368 2.113 10 0 DEAERO Cc1oc2nc(C[N@@H+](CCO)[C@H]3CC[C@H](C)C3)nc(N)c2c1C ZINC000329851434 539931100 /nfs/dbraw/zinc/93/11/00/539931100.db2.gz QTRLMEXKNNPIFI-GWCFXTLKSA-N 1 0 318.421 2.405 10 0 DEAERO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000173136922 198187818 /nfs/dbraw/zinc/18/78/18/198187818.db2.gz RXSDVOQZPHNOMT-MQVJKMGUSA-N 1 0 320.458 2.264 10 0 DEAERO Cc1ccccc1O[C@@H](C)CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173209469 198196471 /nfs/dbraw/zinc/19/64/71/198196471.db2.gz RMORKUUJKDPKNQ-JKSUJKDBSA-N 1 0 317.433 2.252 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2)[C@H](C)C1 ZINC000173256340 198202262 /nfs/dbraw/zinc/20/22/62/198202262.db2.gz RYOLLJHINLBBSO-IUODEOHRSA-N 1 0 314.426 2.177 10 0 DEAERO C[C@H](C(=O)N1CCO[C@@H](c2nccs2)C1)[NH+]1CCCCCC1 ZINC000173271747 198204508 /nfs/dbraw/zinc/20/45/08/198204508.db2.gz VWIUVSLIZUPZPT-ZIAGYGMSSA-N 1 0 323.462 2.308 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000173236493 198199125 /nfs/dbraw/zinc/19/91/25/198199125.db2.gz MQNHXRMULIAZGO-NWDGAFQWSA-N 1 0 311.813 2.259 10 0 DEAERO [NH3+]C[C@@H]1CCCN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000333198944 539951246 /nfs/dbraw/zinc/95/12/46/539951246.db2.gz WZRNMVSSQBKYHQ-ZDUSSCGKSA-N 1 0 323.466 2.084 10 0 DEAERO O=C(Nc1ncc(C(F)(F)F)s1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333301913 539955368 /nfs/dbraw/zinc/95/53/68/539955368.db2.gz KKJGVLLRLNBIBC-JGVFFNPUSA-N 1 0 320.340 2.235 10 0 DEAERO CCN(CCC[NH2+]C[C@@H](C)Cc1ccccc1)S(C)(=O)=O ZINC000182055041 199379822 /nfs/dbraw/zinc/37/98/22/199379822.db2.gz OMPYYBYJDQEUTI-HNNXBMFYSA-N 1 0 312.479 2.126 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333612325 539964845 /nfs/dbraw/zinc/96/48/45/539964845.db2.gz QRKGWKBHMFMMTI-HNNXBMFYSA-N 1 0 308.813 2.020 10 0 DEAERO [NH3+]C1CCC(NC(=O)N2CCO[C@H](C3CCCCC3)C2)CC1 ZINC000333630744 539966211 /nfs/dbraw/zinc/96/62/11/539966211.db2.gz GMUNZRYVRLWJFJ-GPANFISMSA-N 1 0 309.454 2.247 10 0 DEAERO C[C@]1(CNC(=O)N[C@H]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000333746341 539970910 /nfs/dbraw/zinc/97/09/10/539970910.db2.gz JLSKAMPZJAEQSQ-WMZOPIPTSA-N 1 0 301.434 2.233 10 0 DEAERO COCCN1CCN(C(=O)[C@@H](C)c2cccc(F)c2)C[C@H]1C ZINC000173805721 198253827 /nfs/dbraw/zinc/25/38/27/198253827.db2.gz KHBDCIIWTBGPBN-KGLIPLIRSA-N 1 0 308.397 2.108 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@@H](C)c2cccc(F)c2)CC[N@@H+]1CCOC ZINC000173807313 198254937 /nfs/dbraw/zinc/25/49/37/198254937.db2.gz OZLOKTWGAHSKSL-WMLDXEAASA-N 1 0 322.424 2.498 10 0 DEAERO Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)n(C)n1 ZINC000333721913 539970177 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C[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000039346300 354168366 /nfs/dbraw/zinc/16/83/66/354168366.db2.gz JKPBWUJZWQEFQA-UGSOOPFHSA-N 1 0 301.386 2.139 10 0 DEAERO [NH3+]CC1(NS(=O)(=O)c2cccc(F)c2)CCCCCC1 ZINC000034940841 354162108 /nfs/dbraw/zinc/16/21/08/354162108.db2.gz ATJLITMUQUFZRE-UHFFFAOYSA-N 1 0 300.399 2.156 10 0 DEAERO Cc1ccsc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176862902 198630570 /nfs/dbraw/zinc/63/05/70/198630570.db2.gz XJGMKBMOCFKZOO-ZDUSSCGKSA-N 1 0 310.463 2.221 10 0 DEAERO CC(=O)c1ccccc1OCC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277021213 213244456 /nfs/dbraw/zinc/24/44/56/213244456.db2.gz ZTBODXNXMLKVML-UHFFFAOYSA-N 1 0 312.369 2.427 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)NCc1cscn1)c1cccs1 ZINC000051311756 354382867 /nfs/dbraw/zinc/38/28/67/354382867.db2.gz XLVCLIJICRAONG-LLVKDONJSA-N 1 0 310.448 2.307 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)NC(=O)C2CCCCC2)C1 ZINC000067156327 354749985 /nfs/dbraw/zinc/74/99/85/354749985.db2.gz DVOXMFMKDZMUAE-GDBMZVCRSA-N 1 0 323.481 2.062 10 0 DEAERO CCc1cnc(CCNC(=O)NCCC[NH+]2CCCCC2)s1 ZINC000073536078 191324896 /nfs/dbraw/zinc/32/48/96/191324896.db2.gz YGRALGXCICWFOG-UHFFFAOYSA-N 1 0 324.494 2.423 10 0 DEAERO CC[NH+]1CCN([C@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000073599744 191329095 /nfs/dbraw/zinc/32/90/95/191329095.db2.gz QVCVYDHRZJCWDZ-CQSZACIVSA-N 1 0 319.474 2.151 10 0 DEAERO CCCc1cc(N2CCC[NH2+]CC2)nc(-n2nc(C)cc2C)n1 ZINC000073663498 191339502 /nfs/dbraw/zinc/33/95/02/191339502.db2.gz DDFFVQUBRBWKIO-UHFFFAOYSA-N 1 0 314.437 2.031 10 0 DEAERO Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc[nH+]1 ZINC000074934983 191389183 /nfs/dbraw/zinc/38/91/83/191389183.db2.gz IAHAZDJEQMMWLJ-UHFFFAOYSA-N 1 0 317.370 2.076 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1nccs1 ZINC000079732790 355327392 /nfs/dbraw/zinc/32/73/92/355327392.db2.gz NOJSPMMWLCOHPW-AWEZNQCLSA-N 1 0 318.446 2.115 10 0 DEAERO C[NH2+][C@](C)(CO)C[C@@H](C)n1nc(C)c(Br)c1C ZINC000085262396 192486038 /nfs/dbraw/zinc/48/60/38/192486038.db2.gz ZEAGJPSXZUBFQT-PELKAZGASA-N 1 0 304.232 2.184 10 0 DEAERO CCC[NH2+][C@@H](CO)CCn1nc(C)c(Br)c1C ZINC000085262362 192486332 /nfs/dbraw/zinc/48/63/32/192486332.db2.gz GPMREIOAKPQJBJ-LLVKDONJSA-N 1 0 304.232 2.013 10 0 DEAERO COC(=O)c1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000089451565 355533923 /nfs/dbraw/zinc/53/39/23/355533923.db2.gz JTNYABIOJFPCOC-KOLCDFICSA-N 1 0 310.781 2.440 10 0 DEAERO CNC(=O)c1cccnc1N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000091458825 355597533 /nfs/dbraw/zinc/59/75/33/355597533.db2.gz OSKJBMZZBHCFGR-MGPQQGTHSA-N 1 0 304.438 2.220 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000113266824 355758356 /nfs/dbraw/zinc/75/83/56/355758356.db2.gz BCNMGFCLCNCAMK-AWEZNQCLSA-N 1 0 313.239 2.259 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000113266805 355758428 /nfs/dbraw/zinc/75/84/28/355758428.db2.gz MZXDQKXXUAFCCI-ZDUSSCGKSA-N 1 0 313.239 2.259 10 0 DEAERO CCN1CCO[C@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000113266822 355759082 /nfs/dbraw/zinc/75/90/82/355759082.db2.gz BCNMGFCLCNCAMK-CQSZACIVSA-N 1 0 313.239 2.259 10 0 DEAERO O=[N+]([O-])c1ccc(OC[C@H](O)C[NH2+]CCc2ccccc2)cc1 ZINC000141060864 355888481 /nfs/dbraw/zinc/88/84/81/355888481.db2.gz RYCLRZPECVBSFK-MRXNPFEDSA-N 1 0 316.357 2.167 10 0 DEAERO COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)C1CC1)CC2 ZINC000169786855 355983394 /nfs/dbraw/zinc/98/33/94/355983394.db2.gz BBBZELXEHUROIJ-HNNXBMFYSA-N 1 0 306.450 2.136 10 0 DEAERO CC1(C)CC[C@@H](O)[C@@H](C[NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000079674810 191961221 /nfs/dbraw/zinc/96/12/21/191961221.db2.gz WMTVTQWEIRFZDW-CHWSQXEVSA-N 1 0 308.388 2.354 10 0 DEAERO NC(=O)C[C@@H]([NH2+]Cc1cn2ccsc2n1)C1CCCCC1 ZINC000182062370 356108243 /nfs/dbraw/zinc/10/82/43/356108243.db2.gz KEFSXHHRHXWIKQ-CYBMUJFWSA-N 1 0 306.435 2.310 10 0 DEAERO CCC[NH2+]C[C@@H](C)Cn1cc(I)cn1 ZINC000079903404 191983119 /nfs/dbraw/zinc/98/31/19/191983119.db2.gz YEIDNEZRGNIBNW-SECBINFHSA-N 1 0 307.179 2.123 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000182362383 356124078 /nfs/dbraw/zinc/12/40/78/356124078.db2.gz DPQADHHJKGYPFT-GFCCVEGCSA-N 1 0 318.248 2.277 10 0 DEAERO NC(=[NH2+])COc1ccc(NS(=O)(=O)C2CCCCC2)cc1 ZINC000079782667 191972725 /nfs/dbraw/zinc/97/27/25/191972725.db2.gz DXISJRZDMKWMML-UHFFFAOYSA-N 1 0 311.407 2.076 10 0 DEAERO COC(=O)[C@H](C)[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000181769056 356095008 /nfs/dbraw/zinc/09/50/08/356095008.db2.gz ZRSKRDIPMOIEEP-ADEWGFFLSA-N 1 0 305.296 2.050 10 0 DEAERO CC(C)C[NH2+]C[C@H]1CCCCN1S(=O)(=O)CC(C)(C)C ZINC000080194122 192011503 /nfs/dbraw/zinc/01/15/03/192011503.db2.gz SVWSXQGIJUHEPF-CQSZACIVSA-N 1 0 304.500 2.462 10 0 DEAERO COc1cc(F)ccc1N1CC[NH+](CCCn2ccnc2)CC1 ZINC000183179181 356162249 /nfs/dbraw/zinc/16/22/49/356162249.db2.gz RELNIGPJVHCTRY-UHFFFAOYSA-N 1 0 318.396 2.243 10 0 DEAERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000183368346 356169252 /nfs/dbraw/zinc/16/92/52/356169252.db2.gz QXGYRFOCUKAIJL-MRXNPFEDSA-N 1 0 301.438 2.444 10 0 DEAERO COC[C@H]([NH2+]CCOc1ccc(F)cc1F)C1CCOCC1 ZINC000188109414 356214108 /nfs/dbraw/zinc/21/41/08/356214108.db2.gz LMKLCNMHVHHFTR-HNNXBMFYSA-N 1 0 315.360 2.375 10 0 DEAERO COC[C@H]([NH2+]Cc1cccc2c1OCCCO2)C1CCOCC1 ZINC000188248746 356214620 /nfs/dbraw/zinc/21/46/20/356214620.db2.gz LATDXGLEMGCROJ-INIZCTEOSA-N 1 0 321.417 2.379 10 0 DEAERO CC[C@@H]1CN(C(=O)NCCC2CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184850071 356198710 /nfs/dbraw/zinc/19/87/10/356198710.db2.gz NUKFFDXGGKPRSO-GDBMZVCRSA-N 1 0 311.470 2.053 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000184871631 356198991 /nfs/dbraw/zinc/19/89/91/356198991.db2.gz RZJHIKURQCDLKA-ZJIFWQFVSA-N 1 0 311.470 2.052 10 0 DEAERO CCc1cnccc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000184846122 356199071 /nfs/dbraw/zinc/19/90/71/356199071.db2.gz KEMZGLVDYHYRIN-UHFFFAOYSA-N 1 0 301.390 2.441 10 0 DEAERO C[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)[C@@H]1COc2ccccc21 ZINC000185620452 356208576 /nfs/dbraw/zinc/20/85/76/356208576.db2.gz YGCGPOSJZZTGCU-BBRMVZONSA-N 1 0 321.380 2.349 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1[C@@H]([NH2+]Cc2ccccc2)[C@H]2OCC[C@@H]12 ZINC000227795342 356280254 /nfs/dbraw/zinc/28/02/54/356280254.db2.gz ZVXRDYBDPDMHIX-JJXSEGSLSA-N 1 0 318.417 2.457 10 0 DEAERO CC(C)NS(=O)(=O)c1ccc(OCC2([NH3+])CCCC2)cc1 ZINC000080838016 192195178 /nfs/dbraw/zinc/19/51/78/192195178.db2.gz MHMMJGQGZOHSDB-UHFFFAOYSA-N 1 0 312.435 2.024 10 0 DEAERO [NH3+]Cc1cc(OC(F)(F)F)c(I)cn1 ZINC000238674838 356305265 /nfs/dbraw/zinc/30/52/65/356305265.db2.gz PYPAPHHPTUMNNF-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO CC[C@@]1(CO)CCC[N@H+](C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000249581439 356330534 /nfs/dbraw/zinc/33/05/34/356330534.db2.gz RGQYUUZINJPGFK-SJLPKXTDSA-N 1 0 307.434 2.219 10 0 DEAERO C[C@@H]([NH2+]CCn1cccn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400745287 283158440 /nfs/dbraw/zinc/15/84/40/283158440.db2.gz LTDPQSMBNXEOPG-ZIAGYGMSSA-N 1 0 308.426 2.118 10 0 DEAERO C[C@H](CCCO)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400397939 283156567 /nfs/dbraw/zinc/15/65/67/283156567.db2.gz JSHXYLPYEASKMI-RDBSUJKOSA-N 1 0 300.443 2.383 10 0 DEAERO CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401950204 283162146 /nfs/dbraw/zinc/16/21/46/283162146.db2.gz UDYKXRHWRSONBN-IAGOWNOFSA-N 1 0 317.433 2.081 10 0 DEAERO CCC[NH2+]CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000236843210 202033750 /nfs/dbraw/zinc/03/37/50/202033750.db2.gz HPJCOHPYNFKIIF-WFASDCNBSA-N 1 0 303.406 2.011 10 0 DEAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)CC1C[NH2+]C1 ZINC000081747940 192319986 /nfs/dbraw/zinc/31/99/86/192319986.db2.gz UTIMATGKZDEBDA-SNVBAGLBSA-N 1 0 311.223 2.106 10 0 DEAERO c1[nH+]cn2ccc(-c3noc(COC4CCOCC4)n3)cc12 ZINC000351068155 356606604 /nfs/dbraw/zinc/60/66/04/356606604.db2.gz AJVNEJQZDPGGKO-UHFFFAOYSA-N 1 0 300.318 2.080 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000236989332 202110771 /nfs/dbraw/zinc/11/07/71/202110771.db2.gz NDYYKZZVMAOSDQ-CXAGYDPISA-N 1 0 317.433 2.193 10 0 DEAERO [NH3+]C[C@@H]1CN(Cc2nnsc2Cl)C[C@H]1c1ccccc1 ZINC000380942849 356669939 /nfs/dbraw/zinc/66/99/39/356669939.db2.gz BQUSOSDUQCXHQG-NEPJUHHUSA-N 1 0 308.838 2.366 10 0 DEAERO CC(C)[C@@H](NC(=O)CN1C[C@@H](C)[NH2+]C[C@@H]1C)c1cccs1 ZINC000086469319 192575081 /nfs/dbraw/zinc/57/50/81/192575081.db2.gz AIKSGJKINZKXQC-DVOMOZLQSA-N 1 0 309.479 2.244 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000388422681 356705570 /nfs/dbraw/zinc/70/55/70/356705570.db2.gz IOHWMJKMOJWXEO-NSHDSACASA-N 1 0 319.268 2.321 10 0 DEAERO COCC[C@@](C)(O)C[NH2+]Cc1ccsc1Br ZINC000388728826 356706644 /nfs/dbraw/zinc/70/66/44/356706644.db2.gz CLRKSMKZXUBRET-LLVKDONJSA-N 1 0 308.241 2.388 10 0 DEAERO CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OCC ZINC000409422864 356736449 /nfs/dbraw/zinc/73/64/49/356736449.db2.gz LEHBRHCPFGBRIN-STQMWFEESA-N 1 0 314.426 2.175 10 0 DEAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000393926508 356713219 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Cc1nn(C)c(CN2CC(C)(C)[NH2+]C[C@H]2C)c1Br ZINC000089270482 192755165 /nfs/dbraw/zinc/75/51/65/192755165.db2.gz FIOXSBUWYCNZDR-SECBINFHSA-N 1 0 315.259 2.063 10 0 DEAERO CCn1nc(C)c(Br)c1CC[C@H](COC)[NH2+]C ZINC000089281054 192758485 /nfs/dbraw/zinc/75/84/85/192758485.db2.gz JCBHVTMNRKMYOZ-SNVBAGLBSA-N 1 0 304.232 2.141 10 0 DEAERO NC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])ccc1Cl ZINC000089389604 192779435 /nfs/dbraw/zinc/77/94/35/192779435.db2.gz ANRMKPMIWUADKS-GXSJLCMTSA-N 1 0 309.797 2.143 10 0 DEAERO CC[NH2+][C@H](CCc1c(Br)c(CC)nn1C)COC ZINC000089321984 192767678 /nfs/dbraw/zinc/76/76/78/192767678.db2.gz VKXHOFRRFOJZPG-SNVBAGLBSA-N 1 0 318.259 2.302 10 0 DEAERO CCc1nn(CC)c(C[C@@H](COC)[NH2+]C)c1Br ZINC000089359350 192773265 /nfs/dbraw/zinc/77/32/65/192773265.db2.gz FMACQHVXQKFXGF-VIFPVBQESA-N 1 0 304.232 2.005 10 0 DEAERO CC(=O)N1CCCN([C@@H](CC(C)C)C(=O)OC(C)(C)C)CC1 ZINC000599251781 359441168 /nfs/dbraw/zinc/44/11/68/359441168.db2.gz YGEXRAUQTFMSOL-HNNXBMFYSA-N 1 0 312.454 2.297 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089457426 192792936 /nfs/dbraw/zinc/79/29/36/192792936.db2.gz PHYKPZYMSHYIFO-MWLCHTKSSA-N 1 0 315.211 2.376 10 0 DEAERO Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186726621 199998858 /nfs/dbraw/zinc/99/88/58/199998858.db2.gz VFCDKCNFKFWNMK-KOLCDFICSA-N 1 0 305.403 2.439 10 0 DEAERO C[N@H+](CC1(CO)CC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000186802381 200013209 /nfs/dbraw/zinc/01/32/09/200013209.db2.gz VPULMHJQNPCSNZ-CQSZACIVSA-N 1 0 308.809 2.150 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cccnc3SC(F)F)C[C@@H]12 ZINC000186912208 200030698 /nfs/dbraw/zinc/03/06/98/200030698.db2.gz RKAAINZQUIXLOL-JMJZKYOTSA-N 1 0 313.373 2.206 10 0 DEAERO COc1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1OC(F)F ZINC000089743081 192855804 /nfs/dbraw/zinc/85/58/04/192855804.db2.gz VAYDBFSIRNHJPK-VIFPVBQESA-N 1 0 300.305 2.235 10 0 DEAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000186952323 200037300 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CCOC(=O)CCCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188090063 200192062 /nfs/dbraw/zinc/19/20/62/200192062.db2.gz SXHOJVKZKMMVCL-GJZGRUSLSA-N 1 0 311.447 2.489 10 0 DEAERO COc1ccc(F)c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1OC ZINC000188235055 200213748 /nfs/dbraw/zinc/21/37/48/200213748.db2.gz IZMKXZYUNXZSGI-GFCCVEGCSA-N 1 0 324.396 2.447 10 0 DEAERO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188301372 200224619 /nfs/dbraw/zinc/22/46/19/200224619.db2.gz XOMPNCVTFFXXHQ-VIFPVBQESA-N 1 0 320.343 2.167 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1nc(Br)cs1 ZINC000188867250 200314453 /nfs/dbraw/zinc/31/44/53/200314453.db2.gz WBYSDYKPLYWTAQ-QMMMGPOBSA-N 1 0 320.256 2.366 10 0 DEAERO C[C@@H]1CN(C(=O)CSc2nccc3ccccc32)CC[NH2+]1 ZINC000189014329 200335555 /nfs/dbraw/zinc/33/55/55/200335555.db2.gz CCHQBJYJCKHGEP-GFCCVEGCSA-N 1 0 301.415 2.147 10 0 DEAERO Fc1ccc(-c2nc(CN3CC[N@@H+]4CCC[C@@H]4C3)no2)c(F)c1 ZINC000189014640 200335652 /nfs/dbraw/zinc/33/56/52/200335652.db2.gz 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ZINC000193194849 201005486 /nfs/dbraw/zinc/00/54/86/201005486.db2.gz RIDWBONLQWSAGX-GFCCVEGCSA-N 1 0 306.406 2.322 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000193400648 201046000 /nfs/dbraw/zinc/04/60/00/201046000.db2.gz AMIADQFTSHZNGA-CJNGLKHVSA-N 1 0 310.463 2.161 10 0 DEAERO CCSCC[C@@H](C)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610478316 361405289 /nfs/dbraw/zinc/40/52/89/361405289.db2.gz TZXPUBIETYDXAC-GFCCVEGCSA-N 1 0 313.471 2.098 10 0 DEAERO Cc1ncc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000628242577 366780579 /nfs/dbraw/zinc/78/05/79/366780579.db2.gz KKJWQOLYRHKJDH-SFHVURJKSA-N 1 0 315.417 2.052 10 0 DEAERO Cc1ccc([C@H](O)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000194190968 201196103 /nfs/dbraw/zinc/19/61/03/201196103.db2.gz BNYPVMCCKPQVRB-DLBZAZTESA-N 1 0 321.465 2.304 10 0 DEAERO COC(=O)C(C)(C)[C@@H]([NH2+]CCN1CCCC1=O)c1ccccc1 ZINC000611405509 361593497 /nfs/dbraw/zinc/59/34/97/361593497.db2.gz FYXMGYWHSJGGPD-INIZCTEOSA-N 1 0 318.417 2.139 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(=O)N2CCCCC2)cc1OC ZINC000194353565 201209306 /nfs/dbraw/zinc/20/93/06/201209306.db2.gz JYIHKKSNCHOOIU-ZDUSSCGKSA-N 1 0 306.406 2.367 10 0 DEAERO NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cc3ccccc3o1)CC2 ZINC000275681155 212480152 /nfs/dbraw/zinc/48/01/52/212480152.db2.gz WJKAUOMOCNBCTL-LBPRGKRZSA-N 1 0 324.384 2.080 10 0 DEAERO O=C1[C@@H]([NH2+]C[C@H]2CCC=CO2)CCN1Cc1ccc(F)cc1 ZINC000194885897 201305572 /nfs/dbraw/zinc/30/55/72/201305572.db2.gz LYDMSNLWVFWHFY-CVEARBPZSA-N 1 0 304.365 2.209 10 0 DEAERO CCn1cc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cn1 ZINC000194984004 201321538 /nfs/dbraw/zinc/32/15/38/201321538.db2.gz AEKJFPTWCLXBFL-ZFWWWQNUSA-N 1 0 300.410 2.013 10 0 DEAERO C[C@](O)(C[NH2+]C1CC1)COc1ccc(Br)cc1F ZINC000090823628 192937917 /nfs/dbraw/zinc/93/79/17/192937917.db2.gz GMGAVFFAUGVJID-ZDUSSCGKSA-N 1 0 318.186 2.470 10 0 DEAERO Brc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCOC1)O2 ZINC000090903844 192943224 /nfs/dbraw/zinc/94/32/24/192943224.db2.gz OXZFRNQJAYWLLK-GWCFXTLKSA-N 1 0 312.207 2.379 10 0 DEAERO c1nnc2ccc(N3CC[C@@H]([NH2+]CCC4CCCCC4)C3)nn12 ZINC000628424589 366846268 /nfs/dbraw/zinc/84/62/68/366846268.db2.gz MMYQYTGPWKYUGF-OAHLLOKOSA-N 1 0 314.437 2.263 10 0 DEAERO c1cc(CN2CCO[C@@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)ccn1 ZINC000628476916 366862869 /nfs/dbraw/zinc/86/28/69/366862869.db2.gz WEPUNBZTUJGUKK-VSZNYVQBSA-N 1 0 301.434 2.061 10 0 DEAERO CCS(=O)(=O)CCn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000090995585 192969337 /nfs/dbraw/zinc/96/93/37/192969337.db2.gz KGGJGLXEDRFTLJ-UHFFFAOYSA-N 1 0 306.431 2.328 10 0 DEAERO NC(=O)c1csc(C[NH2+][C@H]2CCCO[C@@H]2c2ccncc2)c1 ZINC000275468007 212354007 /nfs/dbraw/zinc/35/40/07/212354007.db2.gz HOPWKMTTYBPMDB-LSDHHAIUSA-N 1 0 317.414 2.252 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNCc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449086482 240032326 /nfs/dbraw/zinc/03/23/26/240032326.db2.gz BQNHLBSYVZRCNV-HNNXBMFYSA-N 1 0 314.433 2.312 10 0 DEAERO Cn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000623084426 364879492 /nfs/dbraw/zinc/87/94/92/364879492.db2.gz ATWQTZXASDCCHC-CHWSQXEVSA-N 1 0 304.419 2.374 10 0 DEAERO Cc1noc([C@H]2CC[C@@H](C[NH2+]Cc3cn(C(C)C)nc3C)O2)n1 ZINC000623164200 364905312 /nfs/dbraw/zinc/90/53/12/364905312.db2.gz PAJINTJPCOCISP-LSDHHAIUSA-N 1 0 319.409 2.474 10 0 DEAERO CCOC(=O)c1cc(C[NH2+]CCN2CC=C(C)CC2)[nH]c1C ZINC000449244987 240246647 /nfs/dbraw/zinc/24/66/47/240246647.db2.gz XKDCLAAAYRNMAL-UHFFFAOYSA-N 1 0 305.422 2.241 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](C/C=C/c2ccccc2)CC12COC2 ZINC000449361252 240392344 /nfs/dbraw/zinc/39/23/44/240392344.db2.gz JAJOTASDOPTNGN-YXMGTMDOSA-N 1 0 301.386 2.211 10 0 DEAERO c1nnc2ccc(N3CC[C@@H]([NH2+]C4CCCCCC4)C3)nn12 ZINC000623654200 365119836 /nfs/dbraw/zinc/11/98/36/365119836.db2.gz YURLXXDZBUBJQA-CQSZACIVSA-N 1 0 300.410 2.015 10 0 DEAERO COc1ccccc1[C@H](C)N(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091136080 193001406 /nfs/dbraw/zinc/00/14/06/193001406.db2.gz WUCUPCYSYPIWGI-QWHCGFSZSA-N 1 0 308.447 2.310 10 0 DEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091136522 193002704 /nfs/dbraw/zinc/00/27/04/193002704.db2.gz PVOPRPVMRMTXRC-GFCCVEGCSA-N 1 0 314.401 2.408 10 0 DEAERO CCC(=O)Nc1cccc(NC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000091138022 193002718 /nfs/dbraw/zinc/00/27/18/193002718.db2.gz JUTPNIJIVOOYGY-ZDUSSCGKSA-N 1 0 307.419 2.069 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+]C[C@@H]3CC=CCC3)C2)ccn1 ZINC000623780498 365172353 /nfs/dbraw/zinc/17/23/53/365172353.db2.gz NGSFDTAHLPRJGB-SJLPKXTDSA-N 1 0 301.434 2.228 10 0 DEAERO COc1cc(C[NH2+][C@H]2C[C@H](OC)C2)cc(Br)c1O ZINC000623807159 365180564 /nfs/dbraw/zinc/18/05/64/365180564.db2.gz UTMRQRAJYCSFPK-MGCOHNPYSA-N 1 0 316.195 2.430 10 0 DEAERO [NH3+]C[C@@H](CC(=O)N1CCCC1)N(Cc1ccsc1)C1CC1 ZINC000091323391 193040508 /nfs/dbraw/zinc/04/05/08/193040508.db2.gz BSRPHKPMMWQLFZ-OAHLLOKOSA-N 1 0 307.463 2.052 10 0 DEAERO CC(C)(C)NC(=O)C[C@H](C[NH3+])N(Cc1ccsc1)C1CC1 ZINC000091321230 193040851 /nfs/dbraw/zinc/04/08/51/193040851.db2.gz ABVAKGAEBBMOIY-CQSZACIVSA-N 1 0 309.479 2.345 10 0 DEAERO CSCC[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091343715 193043509 /nfs/dbraw/zinc/04/35/09/193043509.db2.gz RQTXZOKBSBRYDG-GHMZBOCLSA-N 1 0 302.465 2.126 10 0 DEAERO CO[C@@H](C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)(C)C ZINC000091350123 193044818 /nfs/dbraw/zinc/04/48/18/193044818.db2.gz OGBJXBGYILJCKG-RISCZKNCSA-N 1 0 314.451 2.046 10 0 DEAERO CN(CC1CC(O)C1)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000091464238 193059274 /nfs/dbraw/zinc/05/92/74/193059274.db2.gz KPLIRLVIEAODPZ-UZANAETPSA-N 1 0 313.239 2.152 10 0 DEAERO O=C(C1C[NH2+]C1)N(Cc1ccccc1Br)C1CC1 ZINC000091415157 193052884 /nfs/dbraw/zinc/05/28/84/193052884.db2.gz BSKMRBMEKUISMR-UHFFFAOYSA-N 1 0 309.207 2.160 10 0 DEAERO Cc1cc(F)cc(NS(=O)(=O)c2ccc(CC[NH3+])cc2)c1 ZINC000091516497 193068209 /nfs/dbraw/zinc/06/82/09/193068209.db2.gz BKWCLTTVIPWOLN-UHFFFAOYSA-N 1 0 308.378 2.436 10 0 DEAERO C[C@](O)(C[NH3+])Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000091521252 193068693 /nfs/dbraw/zinc/06/86/93/193068693.db2.gz JEGUFNVFXCYVIE-CYBMUJFWSA-N 1 0 316.188 2.219 10 0 DEAERO COCC[NH2+]CC[C@](C)(O)Cc1cccc(Br)c1 ZINC000091522315 193068705 /nfs/dbraw/zinc/06/87/05/193068705.db2.gz CTHVAVIHLKGJCF-AWEZNQCLSA-N 1 0 316.239 2.369 10 0 DEAERO CC[NH2+][C@H](c1cc(Cl)cnc1N)C(C)(C)N1CCOCC1 ZINC000091566827 193073268 /nfs/dbraw/zinc/07/32/68/193073268.db2.gz DBYCZDWIWBIPJQ-CYBMUJFWSA-N 1 0 312.845 2.079 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH2+]C)[C@@](C)(CC)N(C)C)c1Cl ZINC000091570421 193074430 /nfs/dbraw/zinc/07/44/30/193074430.db2.gz GUDJLHQACPVWIX-UKRRQHHQSA-N 1 0 300.878 2.497 10 0 DEAERO CCC[NH2+][C@@H](Cc1csc(C)n1)C(C)(C)N1CCOCC1 ZINC000091567156 193074879 /nfs/dbraw/zinc/07/48/79/193074879.db2.gz DTANKMVMBDDLGW-HNNXBMFYSA-N 1 0 311.495 2.473 10 0 DEAERO COCCN(C)[C@H](C[NH3+])c1ccc(Br)c(C)c1 ZINC000091470754 193060503 /nfs/dbraw/zinc/06/05/03/193060503.db2.gz BMXAPCFILAQHFV-CYBMUJFWSA-N 1 0 301.228 2.336 10 0 DEAERO CCC[NH2+]C[C@@H](O)Cc1ccc(OC)c(Br)c1 ZINC000091467998 193060515 /nfs/dbraw/zinc/06/05/15/193060515.db2.gz DBKDVZKJWASCTI-NSHDSACASA-N 1 0 302.212 2.361 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Br)cc1O ZINC000091496572 193063651 /nfs/dbraw/zinc/06/36/51/193063651.db2.gz FRHIFHODJXVQEM-LDYMZIIASA-N 1 0 313.195 2.025 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(Br)c(C)n1 ZINC000091507219 193066754 /nfs/dbraw/zinc/06/67/54/193066754.db2.gz MSBMMVMAGGZVIS-MRVPVSSYSA-N 1 0 300.200 2.337 10 0 DEAERO C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)[C@H]1CN(C)CCO1 ZINC000091717593 193096622 /nfs/dbraw/zinc/09/66/22/193096622.db2.gz GPYQVAQNJUNBKB-OLZOCXBDSA-N 1 0 304.312 2.176 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Br)c(C)nn1CC)CN(C)C ZINC000091719764 193096845 /nfs/dbraw/zinc/09/68/45/193096845.db2.gz XKAOBHYZJANUBL-NSHDSACASA-N 1 0 317.275 2.056 10 0 DEAERO COc1cc(Br)c([C@@H](O)C(C)(C)C[NH3+])cc1OC ZINC000091908917 193125082 /nfs/dbraw/zinc/12/50/82/193125082.db2.gz SZLQPNRYSPBUQH-GFCCVEGCSA-N 1 0 318.211 2.485 10 0 DEAERO Cc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1C ZINC000092044947 193145554 /nfs/dbraw/zinc/14/55/54/193145554.db2.gz PIWTTXSYASXKGP-QGZVFWFLSA-N 1 0 322.474 2.303 10 0 DEAERO COCCCC[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092049805 193148191 /nfs/dbraw/zinc/14/81/91/193148191.db2.gz LHLCWJRHKIDKJK-UHFFFAOYSA-N 1 0 313.199 2.008 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)nn2C)C1 ZINC000449793098 241088994 /nfs/dbraw/zinc/08/89/94/241088994.db2.gz ZUIWGZCBYVXUCA-AWEZNQCLSA-N 1 0 312.417 2.159 10 0 DEAERO Cc1ccc([C@H](NC(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)C(F)(F)F)o1 ZINC000630078396 367459666 /nfs/dbraw/zinc/45/96/66/367459666.db2.gz TZQYZCNPNDCTNF-PEXQALLHSA-N 1 0 319.327 2.428 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000271763853 209194700 /nfs/dbraw/zinc/19/47/00/209194700.db2.gz FGJGHWBLMOZILA-UONOGXRCSA-N 1 0 308.813 2.161 10 0 DEAERO CO[C@@H]1CN(Cc2ccccc2Br)[C@@](C)(C[NH3+])C1 ZINC000630365871 367612973 /nfs/dbraw/zinc/61/29/73/367612973.db2.gz ZHWZLFRGDVYIAY-GXTWGEPZSA-N 1 0 313.239 2.387 10 0 DEAERO [NH3+]C[C@@H]1CN(c2nc(C3CC3)ns2)CC[C@@H]1C(F)(F)F ZINC000630525074 367705565 /nfs/dbraw/zinc/70/55/65/367705565.db2.gz AQPRBWIMQDPNNM-BDAKNGLRSA-N 1 0 306.357 2.379 10 0 DEAERO [NH3+]C[C@@H]1CN(c2nc(C3CC3)ns2)CC[C@H]1C(F)(F)F ZINC000630525077 367705791 /nfs/dbraw/zinc/70/57/91/367705791.db2.gz AQPRBWIMQDPNNM-RKDXNWHRSA-N 1 0 306.357 2.379 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)C2CC2)c(F)c1 ZINC000092115577 193162904 /nfs/dbraw/zinc/16/29/04/193162904.db2.gz DDGQFAVZCJBSPS-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(C)C)c(F)c1 ZINC000092115620 193163148 /nfs/dbraw/zinc/16/31/48/193163148.db2.gz CRFIOFOSVSDNDX-UHFFFAOYSA-N 1 0 302.415 2.212 10 0 DEAERO C[NH2+]C[C@@H](C)C(=O)Nc1c2ccccc2sc1C(=O)OC ZINC000092135902 193166897 /nfs/dbraw/zinc/16/68/97/193166897.db2.gz CWKDNGBBBXYACE-SECBINFHSA-N 1 0 306.387 2.482 10 0 DEAERO CC(=O)c1cccc(NC(=O)C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1 ZINC000528757633 284001603 /nfs/dbraw/zinc/00/16/03/284001603.db2.gz NDUSDBSOKGHRKA-IMODNSLOSA-N 1 0 304.390 2.229 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092208430 193173753 /nfs/dbraw/zinc/17/37/53/193173753.db2.gz CPBLIMZJGBKWQM-DTWKUNHWSA-N 1 0 311.179 2.300 10 0 DEAERO c1cc(-c2noc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)n2)co1 ZINC000451508339 243045830 /nfs/dbraw/zinc/04/58/30/243045830.db2.gz WIKCPWBFWVOPNE-BNOWGMLFSA-N 1 0 301.346 2.377 10 0 DEAERO CO[C@H]1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1(C)C ZINC000451557685 243118146 /nfs/dbraw/zinc/11/81/46/243118146.db2.gz CDYYDTWEJOCRII-HNNXBMFYSA-N 1 0 320.389 2.101 10 0 DEAERO c1ccc(-c2noc(CCN3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886119 368440993 /nfs/dbraw/zinc/44/09/93/368440993.db2.gz FXIXDTLOETZCDI-HOTGVXAUSA-N 1 0 312.417 2.353 10 0 DEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(-n3nc(C)nc3C)c(Cl)cc21 ZINC000092750140 193188886 /nfs/dbraw/zinc/18/88/86/193188886.db2.gz JRZFLKXWAGTGRX-ZDUSSCGKSA-N 1 0 305.769 2.140 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cccc(C(F)(F)F)c1 ZINC000261691966 203095049 /nfs/dbraw/zinc/09/50/49/203095049.db2.gz HNASZWVGZJWFJD-BIMULSAOSA-N 1 0 316.323 2.389 10 0 DEAERO CCC[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(F)cc1F ZINC000261755994 203109456 /nfs/dbraw/zinc/10/94/56/203109456.db2.gz LKNJCMOJUPMMDW-UGFHNGPFSA-N 1 0 312.360 2.429 10 0 DEAERO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261950351 203158430 /nfs/dbraw/zinc/15/84/30/203158430.db2.gz PNDLFQYGHIKRPA-GWCFXTLKSA-N 1 0 317.216 2.065 10 0 DEAERO Cc1ncsc1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000093148092 193207878 /nfs/dbraw/zinc/20/78/78/193207878.db2.gz LSBZYKMKXPPLDP-OAHLLOKOSA-N 1 0 308.495 2.053 10 0 DEAERO O=S1(=O)CC[C@@H](C2(Cc3ccc(F)cc3Cl)C[NH2+]C2)C1 ZINC000093195446 193214711 /nfs/dbraw/zinc/21/47/11/193214711.db2.gz LKYLFLVXEOWOTJ-LLVKDONJSA-N 1 0 317.813 2.046 10 0 DEAERO CS(=O)(=O)c1ccc(Cl)c(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093211607 193217323 /nfs/dbraw/zinc/21/73/23/193217323.db2.gz AXVVMSXPADOMPS-ZJUUUORDSA-N 1 0 302.827 2.425 10 0 DEAERO [NH3+][C@H]1CC[C@H](Oc2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000093219166 193218375 /nfs/dbraw/zinc/21/83/75/193218375.db2.gz GOSIEIMQNUFETD-IUCAKERBSA-N 1 0 309.309 2.239 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000093255305 193221162 /nfs/dbraw/zinc/22/11/62/193221162.db2.gz FPQMPXXELJXVER-CYBMUJFWSA-N 1 0 310.463 2.389 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)[C@@H](C)Cc1cccs1 ZINC000093272026 193222383 /nfs/dbraw/zinc/22/23/83/193222383.db2.gz KROPMLBWBYPDPG-AEGPPILISA-N 1 0 310.463 2.152 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000093265948 193222570 /nfs/dbraw/zinc/22/25/70/193222570.db2.gz CYSNIJUMZDRSPE-LLVKDONJSA-N 1 0 302.415 2.341 10 0 DEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1cc(C[NH3+])ccc1OC ZINC000093265824 193223156 /nfs/dbraw/zinc/22/31/56/193223156.db2.gz GJOIPZDAPJRDBK-LBPRGKRZSA-N 1 0 314.451 2.211 10 0 DEAERO CCOC(OCC)[C@H]([NH3+])Cc1c(Cl)c(CC)nn1CC ZINC000093306622 193227936 /nfs/dbraw/zinc/22/79/36/193227936.db2.gz OBISZWJDKNWATB-SNVBAGLBSA-N 1 0 303.834 2.388 10 0 DEAERO CCOC(OCC)[C@@H](Cc1c(Cl)c(CC)nn1C)[NH2+]C ZINC000093306796 193228272 /nfs/dbraw/zinc/22/82/72/193228272.db2.gz KEYQXKVOBCPKSL-LLVKDONJSA-N 1 0 303.834 2.166 10 0 DEAERO CCS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC1=O ZINC000093490294 193259423 /nfs/dbraw/zinc/25/94/23/193259423.db2.gz QGBZPHOHYIYADB-UONOGXRCSA-N 1 0 301.452 2.035 10 0 DEAERO CC[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccc2c(c1)CCO2 ZINC000093522788 193263131 /nfs/dbraw/zinc/26/31/31/193263131.db2.gz AQHNIKIPADCPGJ-CQSZACIVSA-N 1 0 311.447 2.485 10 0 DEAERO CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CC(C)(C)S(C)(=O)=O ZINC000093525841 193264124 /nfs/dbraw/zinc/26/41/24/193264124.db2.gz DKEBFNPWHKDKCT-KGLIPLIRSA-N 1 0 318.527 2.154 10 0 DEAERO CCOC(=O)[C@@]1([NH3+])CCC[C@@H]1CCN(CC)CC(F)(F)F ZINC000093589849 193271144 /nfs/dbraw/zinc/27/11/44/193271144.db2.gz QVBPDBQIMGGPIJ-DGCLKSJQSA-N 1 0 310.360 2.321 10 0 DEAERO NC(=O)[C@]1([NH3+])CCC[C@H]1CCSc1ccc(F)c(F)c1 ZINC000093627221 193276430 /nfs/dbraw/zinc/27/64/30/193276430.db2.gz OSKMJLQLSFGUIP-XPTSAGLGSA-N 1 0 300.374 2.430 10 0 DEAERO C[C@@]([NH3+])(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000093699168 193293555 /nfs/dbraw/zinc/29/35/55/193293555.db2.gz JKKREHIDRYCDDW-IUODEOHRSA-N 1 0 314.426 2.061 10 0 DEAERO Cc1ccc([C@](C)([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093699148 193293692 /nfs/dbraw/zinc/29/36/92/193293692.db2.gz KDDTUEVNNUOHFB-GDBMZVCRSA-N 1 0 310.463 2.231 10 0 DEAERO C[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000093699790 193293970 /nfs/dbraw/zinc/29/39/70/193293970.db2.gz JJQJFESRISJEJW-IUODEOHRSA-N 1 0 314.426 2.148 10 0 DEAERO C[NH2+]CC1(C[C@H]2CCCN(S(C)(=O)=O)C2)CCCCC1 ZINC000093701488 193294791 /nfs/dbraw/zinc/29/47/91/193294791.db2.gz AOMKBGCDVJYWGR-CQSZACIVSA-N 1 0 302.484 2.218 10 0 DEAERO Fc1cc2nc([C@H]3C[NH2+]CCO3)[nH]c2cc1Br ZINC000093728789 193298441 /nfs/dbraw/zinc/29/84/41/193298441.db2.gz PSUZNWSHVBDEBM-SNVBAGLBSA-N 1 0 300.131 2.125 10 0 DEAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)c1cccc(F)c1 ZINC000094023994 193339527 /nfs/dbraw/zinc/33/95/27/193339527.db2.gz RBDTUICLQJCUNM-UHFFFAOYSA-N 1 0 314.426 2.226 10 0 DEAERO CCOc1ccc2[nH]c(S[C@H]3CC[C@]([NH3+])(CO)C3)nc2c1 ZINC000093860980 193319368 /nfs/dbraw/zinc/31/93/68/193319368.db2.gz MLVAXRJNIDCAHM-XHDPSFHLSA-N 1 0 307.419 2.296 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1c(F)cccc1F ZINC000093878263 193321925 /nfs/dbraw/zinc/32/19/25/193321925.db2.gz CAXJVRCJLDOBJO-UHFFFAOYSA-N 1 0 320.405 2.350 10 0 DEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)/C=C/c1ccccc1 ZINC000094023901 193339398 /nfs/dbraw/zinc/33/93/98/193339398.db2.gz PCIHDTVNQTUHHN-JLHYYAGUSA-N 1 0 308.447 2.309 10 0 DEAERO CCN(CC)c1nc(Cl)nc(OCC(C)(C)[NH+](C)C)n1 ZINC000093955080 193332452 /nfs/dbraw/zinc/33/24/52/193332452.db2.gz YUHSBZVJZFLRGX-UHFFFAOYSA-N 1 0 301.822 2.090 10 0 DEAERO [NH3+][C@H](Cc1nc2ccccc2s1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000094251529 193355081 /nfs/dbraw/zinc/35/50/81/193355081.db2.gz SNEWBGROWTUJNA-BZPMIXESSA-N 1 0 303.431 2.029 10 0 DEAERO CC[NH2+][C@@H]1[C@@H](S(=O)(=O)C2CCOCC2)CCCC1(C)C ZINC000094281965 193356095 /nfs/dbraw/zinc/35/60/95/193356095.db2.gz WZNAAXWQCJYJEO-UONOGXRCSA-N 1 0 303.468 2.137 10 0 DEAERO C[NH2+][C@H]1[C@H](N2CCN(CC(F)(F)F)CC2)CCCC1(C)C ZINC000094275382 193356219 /nfs/dbraw/zinc/35/62/19/193356219.db2.gz FKCUWHDRNLUWCE-OLZOCXBDSA-N 1 0 307.404 2.333 10 0 DEAERO CN(CCS(C)(=O)=O)[C@@H](C[NH2+]C(C)(C)C)c1ccccc1 ZINC000094300866 193358667 /nfs/dbraw/zinc/35/86/67/193358667.db2.gz PSXYZWJBTCAZLM-HNNXBMFYSA-N 1 0 312.479 2.092 10 0 DEAERO Cc1nnc(Sc2nc(C(F)(F)F)ccc2C[NH3+])n1C ZINC000094337289 193361005 /nfs/dbraw/zinc/36/10/05/193361005.db2.gz LZVYTZFEGKSHDU-UHFFFAOYSA-N 1 0 303.313 2.147 10 0 DEAERO CCOCCN(CC)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336755 193361279 /nfs/dbraw/zinc/36/12/79/193361279.db2.gz YEFZEWVGTDOJJY-UHFFFAOYSA-N 1 0 304.316 2.247 10 0 DEAERO CNC(=O)[C@H](C)Oc1c(F)cc(C[NH2+]C(C)(C)C)cc1F ZINC000094347799 193363385 /nfs/dbraw/zinc/36/33/85/193363385.db2.gz FNNHNWOAIAILHI-VIFPVBQESA-N 1 0 300.349 2.366 10 0 DEAERO CC(C)[NH2+]Cc1cc(F)c(O[C@H](C)C(=O)N(C)C)c(F)c1 ZINC000094347510 193363635 /nfs/dbraw/zinc/36/36/35/193363635.db2.gz MSLIVEILFWQNAK-SNVBAGLBSA-N 1 0 300.349 2.318 10 0 DEAERO CN(CC1CC[NH2+]CC1)c1ccccc1S(=O)(=O)C(F)F ZINC000094043276 193340701 /nfs/dbraw/zinc/34/07/01/193340701.db2.gz TYWHWXDPOQJPRO-UHFFFAOYSA-N 1 0 318.389 2.119 10 0 DEAERO C[NH2+][C@@H](c1cc(Br)ccc1F)[C@@H]1CN(C)CCO1 ZINC000094109070 193345487 /nfs/dbraw/zinc/34/54/87/193345487.db2.gz ZNNFNEGSVKNEFB-STQMWFEESA-N 1 0 317.202 2.179 10 0 DEAERO C[NH2+][C@H](c1cc(Br)ccc1F)[C@H]1COCCO1 ZINC000094108716 193345544 /nfs/dbraw/zinc/34/55/44/193345544.db2.gz WSOKDRLTDBBFHU-VXGBXAGGSA-N 1 0 304.159 2.264 10 0 DEAERO [NH3+]Cc1nnc(SCc2cnc(Cl)s2)n1C1CC1 ZINC000094195178 193348498 /nfs/dbraw/zinc/34/84/98/193348498.db2.gz YQNDYFMVZFFJTA-UHFFFAOYSA-N 1 0 301.828 2.474 10 0 DEAERO CCc1nn(C)c(COc2ccc(C[C@@H](C)[NH3+])nc2)c1Cl ZINC000094215688 193349168 /nfs/dbraw/zinc/34/91/68/193349168.db2.gz BEZVMAPHCYLYMK-SNVBAGLBSA-N 1 0 308.813 2.500 10 0 DEAERO CCC([NH3+])(CC)C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000094245237 193354425 /nfs/dbraw/zinc/35/44/25/193354425.db2.gz SYRQIZMJPNKCIP-UHFFFAOYSA-N 1 0 310.419 2.479 10 0 DEAERO C[C@@H]1CCC[C@](C[NH3+])(O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094634084 193385665 /nfs/dbraw/zinc/38/56/65/193385665.db2.gz BAAVINRAQOBCKD-KBXIAJHMSA-N 1 0 303.468 2.266 10 0 DEAERO C[NH2+][C@H](C)c1c(C)nn([C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1C ZINC000094643985 193389855 /nfs/dbraw/zinc/38/98/55/193389855.db2.gz IMSHDHNJSMPGKM-HONMWMINSA-N 1 0 313.467 2.309 10 0 DEAERO CCS(=O)(=O)c1ccccc1NC(=O)[C@H](C[NH3+])CC(C)C ZINC000094697379 193391388 /nfs/dbraw/zinc/39/13/88/193391388.db2.gz RYFUUKPQEJLGIB-LBPRGKRZSA-N 1 0 312.435 2.040 10 0 DEAERO COCC[N@H+](CCC(N)=S)[C@H]1CCOC2(CCCC2)C1 ZINC000094376037 193367164 /nfs/dbraw/zinc/36/71/64/193367164.db2.gz YDHDVLCWDOWSFL-ZDUSSCGKSA-N 1 0 300.468 2.103 10 0 DEAERO CC[NH2+][C@@H](C(OC)OC)[C@H]1CCOC2(CCSCC2)C1 ZINC000094407924 193367624 /nfs/dbraw/zinc/36/76/24/193367624.db2.gz UIXTYQLRGHWRBL-QWHCGFSZSA-N 1 0 303.468 2.276 10 0 DEAERO CCOC(=O)C1CC[NH+]([C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094410481 193367770 /nfs/dbraw/zinc/36/77/70/193367770.db2.gz XRGWIRQLTBNQLL-HOCLYGCPSA-N 1 0 313.463 2.316 10 0 DEAERO CCC[NH2+]Cc1ncnn1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094412798 193368751 /nfs/dbraw/zinc/36/87/51/193368751.db2.gz OURRDTSYFDJGOB-CYBMUJFWSA-N 1 0 310.467 2.395 10 0 DEAERO C[NH2+]CCc1c(C)nn([C@H]2CCO[C@@]3(CCSC3)C2)c1C ZINC000094414599 193369004 /nfs/dbraw/zinc/36/90/04/193369004.db2.gz WZJTUPRDHZLKMQ-HOCLYGCPSA-N 1 0 309.479 2.489 10 0 DEAERO CCOC(=O)[C@]1(NCC[NH+](CC)CC)CSCC(C)(C)C1 ZINC000094490019 193373609 /nfs/dbraw/zinc/37/36/09/193373609.db2.gz QUEGDVXFXPWMIH-MRXNPFEDSA-N 1 0 316.511 2.383 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)Nc1nc(Br)cn2ccnc12 ZINC000094488886 193373828 /nfs/dbraw/zinc/37/38/28/193373828.db2.gz DOCNJKAAWZETCJ-JTQLQIEISA-N 1 0 324.226 2.388 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1c1nc(Br)cn2ccnc12 ZINC000094490622 193374019 /nfs/dbraw/zinc/37/40/19/193374019.db2.gz KYBHDDOQYLNAAM-SNVBAGLBSA-N 1 0 324.226 2.022 10 0 DEAERO CC[NH2+][C@H]([C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CSCCO1 ZINC000094504054 193374317 /nfs/dbraw/zinc/37/43/17/193374317.db2.gz VJEJKNOLVFFZGQ-QLFBSQMISA-N 1 0 315.479 2.072 10 0 DEAERO CC[NH2+][C@H](Cc1c(Cl)c(CC)nn1C)[C@@H]1CSCCO1 ZINC000094503782 193374450 /nfs/dbraw/zinc/37/44/50/193374450.db2.gz ZXUFNOJLFZGWEN-YPMHNXCESA-N 1 0 317.886 2.289 10 0 DEAERO c1ccc2c(c1)C[NH2+]C[C@@H]2c1nc([C@@H]2CSCCO2)no1 ZINC000094501786 193374997 /nfs/dbraw/zinc/37/49/97/193374997.db2.gz WKQHFVXXMOCLCI-STQMWFEESA-N 1 0 303.387 2.109 10 0 DEAERO CCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CN2CCN1CC2 ZINC000094510759 193375955 /nfs/dbraw/zinc/37/59/55/193375955.db2.gz CIGLTSIMPSLQMV-IAGOWNOFSA-N 1 0 307.869 2.251 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000094549631 193378848 /nfs/dbraw/zinc/37/88/48/193378848.db2.gz KJSCGOCYIQOWGR-WDSKDSINSA-N 1 0 308.250 2.191 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccccc2SC(F)F)O1 ZINC000094563104 193379790 /nfs/dbraw/zinc/37/97/90/193379790.db2.gz CNXPMGPTJPGKTR-PSASIEDQSA-N 1 0 302.346 2.446 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)c3ncccc23)O1 ZINC000094567089 193381025 /nfs/dbraw/zinc/38/10/25/193381025.db2.gz UGTFCZRUAYBBDV-ZANVPECISA-N 1 0 305.765 2.333 10 0 DEAERO C[C@@H](CC[NH+](C)C)Nc1nc2c(Br)cccn2n1 ZINC000094604643 193383524 /nfs/dbraw/zinc/38/35/24/193383524.db2.gz KBSLLUOMYUZSGN-VIFPVBQESA-N 1 0 312.215 2.244 10 0 DEAERO CC[N@@H+]1CC[C@H](CNc2nc3ccc(Br)cn3n2)C1 ZINC000094603153 193383605 /nfs/dbraw/zinc/38/36/05/193383605.db2.gz CWFYFJGKNWAKCO-SNVBAGLBSA-N 1 0 324.226 2.246 10 0 DEAERO C[C@@H]1CC[C@H](C[NH3+])CN1c1nc2ccc(Br)cn2n1 ZINC000094608454 193384507 /nfs/dbraw/zinc/38/45/07/193384507.db2.gz UTSHBSKHTYUYBT-NXEZZACHSA-N 1 0 324.226 2.055 10 0 DEAERO CC1CCC(C[NH3+])(O[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634075 193385306 /nfs/dbraw/zinc/38/53/06/193385306.db2.gz UMGJENGCCREVBP-GQKFXUNGSA-N 1 0 303.468 2.266 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1c(F)cc(Br)cc1F ZINC000094716972 193394056 /nfs/dbraw/zinc/39/40/56/193394056.db2.gz DMUIQHXJWXRMEA-UWVGGRQHSA-N 1 0 319.149 2.337 10 0 DEAERO C[NH2+][C@H](C)c1cc(F)c(C)cc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000094765850 193396699 /nfs/dbraw/zinc/39/66/99/193396699.db2.gz OHNDBKLYYAWOGJ-VXGBXAGGSA-N 1 0 314.426 2.038 10 0 DEAERO C[C@@H](C1CC1)n1nccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000274917108 212031915 /nfs/dbraw/zinc/03/19/15/212031915.db2.gz LHRQFMKSYKEXPP-GXTWGEPZSA-N 1 0 303.410 2.166 10 0 DEAERO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000453355046 245090746 /nfs/dbraw/zinc/09/07/46/245090746.db2.gz HFKDGSRGIOYKCO-BZZMCLGOSA-N 1 0 315.461 2.141 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])c2cncc(C)c2)c1Br ZINC000097278907 193703534 /nfs/dbraw/zinc/70/35/34/193703534.db2.gz VQPYLIIHYICBPO-NSHDSACASA-N 1 0 309.211 2.437 10 0 DEAERO CCOCCC[C@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000097278910 193703711 /nfs/dbraw/zinc/70/37/11/193703711.db2.gz BCQHRZSPHFRLLD-JTQLQIEISA-N 1 0 304.232 2.178 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2cc3ccccc3c(=O)[nH]2)CC[N@@H+]1C ZINC000266124451 205117716 /nfs/dbraw/zinc/11/77/16/205117716.db2.gz YNCKZOYHQHODRP-GXTWGEPZSA-N 1 0 313.401 2.495 10 0 DEAERO CCC[NH2+][C@H](c1ccnn1C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097313287 193707220 /nfs/dbraw/zinc/70/72/20/193707220.db2.gz WCMIZXWGIUTDNB-YDHLFZDLSA-N 1 0 313.467 2.064 10 0 DEAERO CC(=O)N[C@@H](CC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000161990699 197535139 /nfs/dbraw/zinc/53/51/39/197535139.db2.gz DWYODJBIKSFIOK-SJORKVTESA-N 1 0 319.449 2.086 10 0 DEAERO COc1cc(OC)c(Nc2cc(C)[nH+]c(NN)n2)cc1Cl ZINC000161428811 197494555 /nfs/dbraw/zinc/49/45/55/197494555.db2.gz WAWLZNPCNMHLTG-UHFFFAOYSA-N 1 0 309.757 2.485 10 0 DEAERO C[C@@H]1CN([C@H](C[NH3+])c2ccc(OC(F)F)cc2)C[C@@H](C)O1 ZINC000020081638 182185153 /nfs/dbraw/zinc/18/51/53/182185153.db2.gz ZUOUGDPMBANCCL-JTNHKYCSSA-N 1 0 300.349 2.397 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)Nc2ccc(F)cc2F)ccc1F ZINC000020189314 182195452 /nfs/dbraw/zinc/19/54/52/182195452.db2.gz SDKMKHYCCHESCT-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO CCn1nc(C)c(Br)c1CN(C)[C@H](C[NH3+])C1CC1 ZINC000160042930 197382184 /nfs/dbraw/zinc/38/21/84/197382184.db2.gz FZEGBWAQTDGHJQ-LLVKDONJSA-N 1 0 315.259 2.143 10 0 DEAERO CCCOc1c(Cl)cc(C[NH2+]CCOCCO)cc1OC ZINC000020931675 182255099 /nfs/dbraw/zinc/25/50/99/182255099.db2.gz PJUCQEWYVRZXEH-UHFFFAOYSA-N 1 0 317.813 2.236 10 0 DEAERO Cc1cc(C[C@H](C)NC(=O)NCCCCC[NH+]2CCCC2)[nH]n1 ZINC000454692750 246070880 /nfs/dbraw/zinc/07/08/80/246070880.db2.gz SIZLSZKKARCTGM-AWEZNQCLSA-N 1 0 321.469 2.214 10 0 DEAERO NC(=[NH2+])c1ccccc1CSc1nnnn1C1CCCC1 ZINC000021811451 182291722 /nfs/dbraw/zinc/29/17/22/182291722.db2.gz QFYWCFHMMCJLJX-UHFFFAOYSA-N 1 0 302.407 2.365 10 0 DEAERO CCN(CC)C(=O)C1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263265668 284464658 /nfs/dbraw/zinc/46/46/58/284464658.db2.gz RNQVXUZWKZSSLJ-CRAIPNDOSA-N 1 0 323.481 2.001 10 0 DEAERO C[C@@H]1CN(C(=O)CC/C=C\c2ccccc2)C[C@H](C)[N@H+]1CCO ZINC000456209458 247016123 /nfs/dbraw/zinc/01/61/23/247016123.db2.gz KLCUZOVUKSQAAV-RBHTYBDBSA-N 1 0 316.445 2.394 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccnnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456349623 247112503 /nfs/dbraw/zinc/11/25/03/247112503.db2.gz VXPKLXILCXOSSF-HNNXBMFYSA-N 1 0 310.401 2.071 10 0 DEAERO CC[NH+](CC)C1CCN(C(=O)c2nnc(Cl)s2)CC1 ZINC000159826387 197367429 /nfs/dbraw/zinc/36/74/29/197367429.db2.gz NTBYYJFVNUFVID-UHFFFAOYSA-N 1 0 302.831 2.138 10 0 DEAERO Cc1ccccc1C(=O)N1C[C@@H](C)N(CC[NH+](C)C)[C@H](C)C1 ZINC000036126154 182804452 /nfs/dbraw/zinc/80/44/52/182804452.db2.gz IJPUSTKVYXIRHS-HZPDHXFCSA-N 1 0 303.450 2.091 10 0 DEAERO Cc1ccc(C(=O)N2C[C@@H](C)N(CC[NH+](C)C)[C@H](C)C2)cc1C ZINC000036126199 182804645 /nfs/dbraw/zinc/80/46/45/182804645.db2.gz LRAPAIKGJVUJNI-IAGOWNOFSA-N 1 0 317.477 2.400 10 0 DEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000037387104 182885566 /nfs/dbraw/zinc/88/55/66/182885566.db2.gz VUTALJNYCURFKI-SECBINFHSA-N 1 0 318.826 2.070 10 0 DEAERO COC(=O)CC[C@@H]([NH3+])c1cc(Br)ccc1OC ZINC000037636667 182915261 /nfs/dbraw/zinc/91/52/61/182915261.db2.gz MEVCQBKYNKSAIY-SNVBAGLBSA-N 1 0 302.168 2.411 10 0 DEAERO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CC[NH2+]CC1 ZINC000037963874 182944025 /nfs/dbraw/zinc/94/40/25/182944025.db2.gz CVKJOIREUIMYFA-GFCCVEGCSA-N 1 0 303.189 2.113 10 0 DEAERO [NH3+][C@@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000038050868 182982312 /nfs/dbraw/zinc/98/23/12/182982312.db2.gz QEDASKXYGJEPLN-VXGBXAGGSA-N 1 0 304.362 2.365 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cn2C)C1 ZINC000040503698 183084234 /nfs/dbraw/zinc/08/42/34/183084234.db2.gz QHVVIPIUUAWPQT-LLVKDONJSA-N 1 0 314.227 2.002 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2nc3ccc(Cl)cc3s2)C1 ZINC000040629923 183110825 /nfs/dbraw/zinc/11/08/25/183110825.db2.gz GTHKXZBECWMHFH-PSASIEDQSA-N 1 0 311.794 2.265 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000040630130 183110907 /nfs/dbraw/zinc/11/09/07/183110907.db2.gz RFYJZWZTFPZQRK-ZYHUDNBSSA-N 1 0 313.195 2.073 10 0 DEAERO COc1ccc(CNc2nc[nH+]c(NNC(C)(C)C)c2N)cc1 ZINC000040753950 183129515 /nfs/dbraw/zinc/12/95/15/183129515.db2.gz UHQMIZFRKJBJAS-UHFFFAOYSA-N 1 0 316.409 2.395 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C\c3ccnc4ccccc34)C[C@H]12 ZINC000493315592 249275746 /nfs/dbraw/zinc/27/57/46/249275746.db2.gz GBHAGZBTRSAZOS-CNPSJXRASA-N 1 0 307.397 2.444 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(NC(C)=O)c2)C1 ZINC000041527631 183197540 /nfs/dbraw/zinc/19/75/40/183197540.db2.gz FDOZIVORABVKOB-MRXNPFEDSA-N 1 0 303.406 2.201 10 0 DEAERO CC[NH+](CC)CCNc1ncnc2c1ccc(OC)c2OC ZINC000041470406 183193486 /nfs/dbraw/zinc/19/34/86/183193486.db2.gz NWAHEJPUISUIAJ-UHFFFAOYSA-N 1 0 304.394 2.401 10 0 DEAERO COc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000042167803 183238131 /nfs/dbraw/zinc/23/81/31/183238131.db2.gz AATFOXSBUWZUAB-SECBINFHSA-N 1 0 300.305 2.377 10 0 DEAERO CCOCCOC[C@H](O)C[NH2+][C@@H](c1cccs1)C(C)C ZINC000042320350 183254053 /nfs/dbraw/zinc/25/40/53/183254053.db2.gz NGYVCMGWPZHEPO-UKRRQHHQSA-N 1 0 301.452 2.449 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1OCc1nnc(C)o1 ZINC000042411577 183265926 /nfs/dbraw/zinc/26/59/26/183265926.db2.gz RQGPBQGWKYPYIW-UHFFFAOYSA-N 1 0 312.167 2.439 10 0 DEAERO Cn1cc(COc2c(Br)cccc2CC[NH3+])cn1 ZINC000042412721 183266154 /nfs/dbraw/zinc/26/61/54/183266154.db2.gz PEYZNSZQVPGNDC-UHFFFAOYSA-N 1 0 310.195 2.263 10 0 DEAERO CCOC(=O)COc1c(Br)cccc1C[C@H](C)[NH3+] ZINC000042412731 183266579 /nfs/dbraw/zinc/26/65/79/183266579.db2.gz IAZGPPGDWWFJAA-VIFPVBQESA-N 1 0 316.195 2.281 10 0 DEAERO COCCCN(CCOC)[C@@H](C[NH3+])c1cc(C)sc1C ZINC000042420835 183268159 /nfs/dbraw/zinc/26/81/59/183268159.db2.gz BPHDXFPXHOWFDJ-HNNXBMFYSA-N 1 0 300.468 2.350 10 0 DEAERO CCC(CC)[N@H+](CCO)CCOc1ccc(C(N)=S)cc1 ZINC000042506334 183277976 /nfs/dbraw/zinc/27/79/76/183277976.db2.gz YFUAYNKTNLITJR-UHFFFAOYSA-N 1 0 310.463 2.183 10 0 DEAERO CC(C)n1cc(Br)cc1C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000042549383 183284355 /nfs/dbraw/zinc/28/43/55/183284355.db2.gz SPGMAZCNJYFWNR-NSHDSACASA-N 1 0 314.227 2.265 10 0 DEAERO C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042611516 183291243 /nfs/dbraw/zinc/29/12/43/183291243.db2.gz NFOAMFZZBPYWEH-AAEUAGOBSA-N 1 0 316.492 2.449 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCC(C(N)=O)CC1 ZINC000042944570 183319629 /nfs/dbraw/zinc/31/96/29/183319629.db2.gz ULXRXZYXVMZHBZ-LSDHHAIUSA-N 1 0 309.841 2.316 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCC(C(N)=O)CC1 ZINC000042944574 183319730 /nfs/dbraw/zinc/31/97/30/183319730.db2.gz ULXRXZYXVMZHBZ-GJZGRUSLSA-N 1 0 309.841 2.316 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(C)cc1 ZINC000042944049 183320145 /nfs/dbraw/zinc/32/01/45/183320145.db2.gz LBDWHTMEFZUGLX-SMDDNHRTSA-N 1 0 304.419 2.231 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1ccc(Cl)cc1 ZINC000042951443 183320807 /nfs/dbraw/zinc/32/08/07/183320807.db2.gz KGSOKZBDVHMCCP-MADCSZMMSA-N 1 0 309.826 2.475 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCC[C@H](O)C1 ZINC000043020746 183329661 /nfs/dbraw/zinc/32/96/61/183329661.db2.gz PHVJQEOXSHQYMN-LEWSCRJBSA-N 1 0 313.239 2.294 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CCO ZINC000043021010 183329716 /nfs/dbraw/zinc/32/97/16/183329716.db2.gz QIXXUEGVJNZVTH-CHWSQXEVSA-N 1 0 301.228 2.152 10 0 DEAERO CC(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000042768673 183307177 /nfs/dbraw/zinc/30/71/77/183307177.db2.gz JAVITJLPOQDBNN-UHFFFAOYSA-N 1 0 310.341 2.107 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N(CCO)C1CC1 ZINC000043093301 183336682 /nfs/dbraw/zinc/33/66/82/183336682.db2.gz DWMOPBJHIXHOCT-HZMBPMFUSA-N 1 0 313.239 2.294 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCC(C(N)=O)CC1 ZINC000043252033 183346621 /nfs/dbraw/zinc/34/66/21/183346621.db2.gz BDVOAWLGFYZXEA-GXFFZTMASA-N 1 0 315.870 2.377 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCC[C@@H]1CO ZINC000043286385 183350587 /nfs/dbraw/zinc/35/05/87/183350587.db2.gz UIPKCNWWYZFGEY-HLUHBDAQSA-N 1 0 319.268 2.356 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N1CCC(O)CC1 ZINC000043090633 183335772 /nfs/dbraw/zinc/33/57/72/183335772.db2.gz UTNNADCODZLTLU-IINYFYTJSA-N 1 0 313.239 2.294 10 0 DEAERO COCCN(C)[C@@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043092711 183336214 /nfs/dbraw/zinc/33/62/14/183336214.db2.gz FVRLYWZOQFQDOU-GXFFZTMASA-N 1 0 301.228 2.416 10 0 DEAERO Oc1ccc(C[NH2+]CCc2nnc3ccccn32)cc1Cl ZINC000043477137 183365801 /nfs/dbraw/zinc/36/58/01/183365801.db2.gz IVDRIEMBWABLSH-UHFFFAOYSA-N 1 0 302.765 2.421 10 0 DEAERO CC(C)C[N@H+](CCC(N)=S)CC(=O)Nc1cccc(F)c1 ZINC000043418573 183361252 /nfs/dbraw/zinc/36/12/52/183361252.db2.gz HGVRRIMRZQBYQB-UHFFFAOYSA-N 1 0 311.426 2.398 10 0 DEAERO C[NH2+][C@H](CN(C)CC(F)(F)F)c1ccc(OC)cc1OC ZINC000043900466 183389363 /nfs/dbraw/zinc/38/93/63/183389363.db2.gz FLDOFWBUTFNVSK-GFCCVEGCSA-N 1 0 306.328 2.458 10 0 DEAERO CS(=O)(=O)c1ccc(CN2Cc3ccccc3C2=[NH2+])cc1 ZINC000045173816 183487916 /nfs/dbraw/zinc/48/79/16/183487916.db2.gz FNYLWOKXWSQJFQ-UHFFFAOYSA-N 1 0 300.383 2.431 10 0 DEAERO COc1cc[nH+]c(N2CCN(C(=O)CSC(C)(C)C)CC2)c1 ZINC000104516339 194013472 /nfs/dbraw/zinc/01/34/72/194013472.db2.gz HCNKKAYGIPXFKO-UHFFFAOYSA-N 1 0 323.462 2.271 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000273958845 211213544 /nfs/dbraw/zinc/21/35/44/211213544.db2.gz ZABZAGYBLGVZJR-HIFRSBDPSA-N 1 0 305.422 2.017 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccccc1Br ZINC000104867016 194048504 /nfs/dbraw/zinc/04/85/04/194048504.db2.gz AHXVIWLDPAPZFL-LBPRGKRZSA-N 1 0 311.223 2.202 10 0 DEAERO COCc1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000284616328 218101386 /nfs/dbraw/zinc/10/13/86/218101386.db2.gz KROVPTIGUMLYGW-KURKYZTESA-N 1 0 305.418 2.195 10 0 DEAERO CCc1cc(N2CCC(C[NH3+])CC2)nc(-n2nc(C)cc2C)n1 ZINC000045947415 183539124 /nfs/dbraw/zinc/53/91/24/183539124.db2.gz WLRFSUCJBSXUHU-UHFFFAOYSA-N 1 0 314.437 2.017 10 0 DEAERO CCOc1ccc(OC)cc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000105044230 194067100 /nfs/dbraw/zinc/06/71/00/194067100.db2.gz REHFKKXJAVCGBL-LBPRGKRZSA-N 1 0 307.394 2.262 10 0 DEAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000284696878 218136858 /nfs/dbraw/zinc/13/68/58/218136858.db2.gz SYICTKNCGDZTMC-GXTWGEPZSA-N 1 0 319.323 2.209 10 0 DEAERO CN(C)c1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104992280 194062856 /nfs/dbraw/zinc/06/28/56/194062856.db2.gz JXYVKTPCYOSDLV-AWEZNQCLSA-N 1 0 302.422 2.455 10 0 DEAERO COc1cc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1C ZINC000105179350 194082423 /nfs/dbraw/zinc/08/24/23/194082423.db2.gz YKODKRMOAMEVKZ-MRXNPFEDSA-N 1 0 317.433 2.383 10 0 DEAERO CC[C@H]1CN(CCOc2cc(C)ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000105825100 194138687 /nfs/dbraw/zinc/13/86/87/194138687.db2.gz BANJITCMRSCZSM-MSOLQXFVSA-N 1 0 320.477 2.459 10 0 DEAERO CCOCCN1CC[N@H+](C[C@](C)(O)c2ccccc2)C[C@H]1CC ZINC000105838585 194144149 /nfs/dbraw/zinc/14/41/49/194144149.db2.gz MXQSDVOPZYBRJH-MOPGFXCFSA-N 1 0 320.477 2.327 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)c1 ZINC000105881292 194155361 /nfs/dbraw/zinc/15/53/61/194155361.db2.gz FNELSQIMUOCXKU-LBPRGKRZSA-N 1 0 306.797 2.462 10 0 DEAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105883543 194158177 /nfs/dbraw/zinc/15/81/77/194158177.db2.gz HIXRQGTXFMJADT-AWEZNQCLSA-N 1 0 316.405 2.208 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000285076029 218280776 /nfs/dbraw/zinc/28/07/76/218280776.db2.gz JJGZJDYTDRICIU-CYBMUJFWSA-N 1 0 308.426 2.037 10 0 DEAERO COc1cccc([C@H]2C[C@H]2C(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000106738750 194248155 /nfs/dbraw/zinc/24/81/55/194248155.db2.gz AWUQPBAXKVAJOF-IAGOWNOFSA-N 1 0 302.418 2.351 10 0 DEAERO C[C@H]1CCC[C@@H](N(C)S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000049014736 183701884 /nfs/dbraw/zinc/70/18/84/183701884.db2.gz IFFIWJGVMWUXEP-SOUVJXGZSA-N 1 0 302.484 2.359 10 0 DEAERO COc1cc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1SC ZINC000109328811 194258460 /nfs/dbraw/zinc/25/84/60/194258460.db2.gz HMFPXKGVXLWYNX-ZIAGYGMSSA-N 1 0 324.490 2.304 10 0 DEAERO C[C@H](Nc1ccccc1S(=O)(=O)C(F)F)[C@H]1CCC[NH2+]C1 ZINC000050163863 183776256 /nfs/dbraw/zinc/77/62/56/183776256.db2.gz LFYJTTUUIQRHCO-QWRGUYRKSA-N 1 0 318.389 2.483 10 0 DEAERO Cc1nc(C)n(-c2ncc(Br)cc2C[NH2+]C2CC2)n1 ZINC000051488609 183828178 /nfs/dbraw/zinc/82/81/78/183828178.db2.gz QHANZIMQRWASNJ-UHFFFAOYSA-N 1 0 322.210 2.294 10 0 DEAERO CCCC[N@H+](CC(N)=O)Cc1ccc(Br)c(N)c1 ZINC000159341678 197346275 /nfs/dbraw/zinc/34/62/75/197346275.db2.gz UDLZOVQGSIRGAM-UHFFFAOYSA-N 1 0 314.227 2.119 10 0 DEAERO CCC(CC)(CO)[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000053070661 183885549 /nfs/dbraw/zinc/88/55/49/183885549.db2.gz AXUMKDWGJLDJGI-HNNXBMFYSA-N 1 0 315.841 2.358 10 0 DEAERO FC(F)(F)CN1CCN(CCC[NH2+]C2CCCCC2)CC1 ZINC000053498983 183904569 /nfs/dbraw/zinc/90/45/69/183904569.db2.gz IYUOTKCFRPQWCV-UHFFFAOYSA-N 1 0 307.404 2.479 10 0 DEAERO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000110648429 194346130 /nfs/dbraw/zinc/34/61/30/194346130.db2.gz BIJVEURRTOHUSG-VIFPVBQESA-N 1 0 320.817 2.227 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCNC(=O)C1(C)C ZINC000110653190 194347152 /nfs/dbraw/zinc/34/71/52/194347152.db2.gz UYJGPXDCKQIJAF-UONOGXRCSA-N 1 0 309.841 2.329 10 0 DEAERO CCC[NH2+][C@H](CCN1CCS(=O)CC1)c1cccc(F)c1 ZINC000053982306 183918583 /nfs/dbraw/zinc/91/85/83/183918583.db2.gz KLJMBAISRGULAK-MRXNPFEDSA-N 1 0 312.454 2.321 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Br)s2)CCN1C ZINC000110701645 194351886 /nfs/dbraw/zinc/35/18/86/194351886.db2.gz JRTSUUZIIHYTHF-ZJUUUORDSA-N 1 0 318.284 2.146 10 0 DEAERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C(N)=S)CC[N@@H+]1C ZINC000110755765 194356496 /nfs/dbraw/zinc/35/64/96/194356496.db2.gz NFFWBOWWCQXNHV-SECBINFHSA-N 1 0 317.380 2.480 10 0 DEAERO COC(=O)c1cc(Cl)ccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306540 183933394 /nfs/dbraw/zinc/93/33/94/183933394.db2.gz JVXYEWOYQONFHH-JTQLQIEISA-N 1 0 310.781 2.455 10 0 DEAERO C[C@H]1CN(c2c(C(N)=S)cnc3ccccc32)CC[N@@H+]1C ZINC000110755781 194357384 /nfs/dbraw/zinc/35/73/84/194357384.db2.gz BKKGSFOYPIHVSG-NSHDSACASA-N 1 0 300.431 2.009 10 0 DEAERO CCc1ccc(S(=O)(=O)N(CC)[C@H]2CCC[NH2+]C2)s1 ZINC000110941616 194372015 /nfs/dbraw/zinc/37/20/15/194372015.db2.gz BWCITZYWLXXWNK-NSHDSACASA-N 1 0 302.465 2.073 10 0 DEAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(C)cc(C)c1 ZINC000110942104 194372493 /nfs/dbraw/zinc/37/24/93/194372493.db2.gz OOPQSHMEBXFFCO-OAHLLOKOSA-N 1 0 310.463 2.456 10 0 DEAERO CCN(c1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000110946793 194373777 /nfs/dbraw/zinc/37/37/77/194373777.db2.gz JDNKMBALEULZFI-LBPRGKRZSA-N 1 0 318.389 2.261 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](SCCS(C)(=O)=O)c1cccc(F)c1 ZINC000111003986 194380382 /nfs/dbraw/zinc/38/03/82/194380382.db2.gz BWDOKOFCTFILJG-OLZOCXBDSA-N 1 0 305.440 2.382 10 0 DEAERO O[C@@H]1C[NH2+]C[C@H]1Oc1ccc2cc(Br)ccc2c1 ZINC000111060060 194387462 /nfs/dbraw/zinc/38/74/62/194387462.db2.gz OLKDOEOBFPQGME-ZIAGYGMSSA-N 1 0 308.175 2.314 10 0 DEAERO CN(CCC[NH+](C)C)Cc1c(N)cccc1Br ZINC000111131653 194394504 /nfs/dbraw/zinc/39/45/04/194394504.db2.gz GQQBLJVXRIIHRV-UHFFFAOYSA-N 1 0 300.244 2.415 10 0 DEAERO CCCN(CC(F)(F)F)C(=O)[C@]1([NH3+])C[C@@H](OCC)C1(C)C ZINC000156946125 197152097 /nfs/dbraw/zinc/15/20/97/197152097.db2.gz LOMJMCXZOKAVRO-ZWNOBZJWSA-N 1 0 310.360 2.320 10 0 DEAERO COc1ccccc1CN(C)c1cc(NN)[nH+]c(SC)n1 ZINC000159315873 197344823 /nfs/dbraw/zinc/34/48/23/197344823.db2.gz SURKSGBPMPEXDR-UHFFFAOYSA-N 1 0 305.407 2.129 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2nnc(C(F)F)s2)C1 ZINC000057292758 184032665 /nfs/dbraw/zinc/03/26/65/184032665.db2.gz DECWBLZNPBOXQU-SSDOTTSWSA-N 1 0 305.354 2.082 10 0 DEAERO Cc1ccc(NC(=O)CN2CCC[N@@H+](C3CC3)CC2)c(C)c1 ZINC000061040952 184160363 /nfs/dbraw/zinc/16/03/63/184160363.db2.gz VCBRRTCDYCWMGE-UHFFFAOYSA-N 1 0 301.434 2.412 10 0 DEAERO O=S(=O)(CC[C@H]1CCCC[NH2+]1)Nc1cc(F)c(F)c(F)c1 ZINC000061120356 184162515 /nfs/dbraw/zinc/16/25/15/184162515.db2.gz WGULEKQWSVWLBI-SECBINFHSA-N 1 0 322.352 2.378 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)CN1CCC[NH2+]CC1 ZINC000061271774 184167196 /nfs/dbraw/zinc/16/71/96/184167196.db2.gz HKOVERMLWLWQDD-UHFFFAOYSA-N 1 0 315.870 2.045 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000061271232 184167420 /nfs/dbraw/zinc/16/74/20/184167420.db2.gz YRZSWSCXMPLFFK-QMMMGPOBSA-N 1 0 300.305 2.078 10 0 DEAERO CCC[NH2+][C@H](C)c1c(F)cccc1Sc1n[nH]c(=O)n1C ZINC000061592952 184175893 /nfs/dbraw/zinc/17/58/93/184175893.db2.gz WNNLVSHNHUGZJW-SECBINFHSA-N 1 0 310.398 2.459 10 0 DEAERO CC(C)n1c(S[C@H](c2ccc(F)cc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061595222 184176415 /nfs/dbraw/zinc/17/64/15/184176415.db2.gz HAEBHKBIGXTFHJ-CABZTGNLSA-N 1 0 310.398 2.472 10 0 DEAERO CCCn1c(S[C@H](C[NH3+])c2cccc(Cl)c2)n[nH]c1=O ZINC000061594844 184176466 /nfs/dbraw/zinc/17/64/66/184176466.db2.gz HWLWALRODZPIHU-LLVKDONJSA-N 1 0 312.826 2.427 10 0 DEAERO CCCn1c(S[C@H](C[NH3+])c2ccc(Cl)s2)n[nH]c1=O ZINC000061594824 184176589 /nfs/dbraw/zinc/17/65/89/184176589.db2.gz JAUAFYGNSLYQOU-MRVPVSSYSA-N 1 0 318.855 2.488 10 0 DEAERO CC(C)n1c(S[C@H](c2cccc(F)c2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061595260 184176610 /nfs/dbraw/zinc/17/66/10/184176610.db2.gz NCWJBJMEZNPIEB-CABZTGNLSA-N 1 0 310.398 2.472 10 0 DEAERO COc1ccc(OC)c(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061605425 184177003 /nfs/dbraw/zinc/17/70/03/184177003.db2.gz IRQGVRXAGRZWJS-UHFFFAOYSA-N 1 0 304.390 2.014 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(Br)o1 ZINC000061652039 184181452 /nfs/dbraw/zinc/18/14/52/184181452.db2.gz RKOULDOXVCVWCR-VIFPVBQESA-N 1 0 301.184 2.208 10 0 DEAERO CCC[NH2+][C@](C)(C(N)=O)c1ccc(F)c(Br)c1 ZINC000061689294 184182826 /nfs/dbraw/zinc/18/28/26/184182826.db2.gz UIBRLIHSVJPXSU-LBPRGKRZSA-N 1 0 303.175 2.288 10 0 DEAERO CC(C)(CC(N)=O)C[C@H]([NH3+])c1cc2c(cc1Cl)OCCO2 ZINC000061825432 184188815 /nfs/dbraw/zinc/18/88/15/184188815.db2.gz VDDKLNGKTPKHIQ-NSHDSACASA-N 1 0 312.797 2.403 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Br)cc1F)N1CCCOCC1 ZINC000061916420 184195255 /nfs/dbraw/zinc/19/52/55/184195255.db2.gz JFNJSQYAIABTKJ-ZDUSSCGKSA-N 1 0 317.202 2.310 10 0 DEAERO C[C@@H](CCNS(=O)(=O)C[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000061911526 184195281 /nfs/dbraw/zinc/19/52/81/184195281.db2.gz IIQZNNVKIAPSQF-HOCLYGCPSA-N 1 0 310.463 2.242 10 0 DEAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061940915 184197443 /nfs/dbraw/zinc/19/74/43/184197443.db2.gz LCXDYJIMHKNIIA-MGPQQGTHSA-N 1 0 307.404 2.320 10 0 DEAERO C[N@@H+]1CC[C@@H](Nc2ccc(I)cc2)C1 ZINC000061984926 184199776 /nfs/dbraw/zinc/19/97/76/184199776.db2.gz FUHAHKUGMJQXOO-LLVKDONJSA-N 1 0 302.159 2.407 10 0 DEAERO Cc1cc(OC[C@H](O)C[NH2+]CCN(C)C2CC2)ccc1Cl ZINC000061996633 184200688 /nfs/dbraw/zinc/20/06/88/184200688.db2.gz ACPWBOXTBZAYAX-CQSZACIVSA-N 1 0 312.841 2.072 10 0 DEAERO C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)C1CC[NH2+]CC1 ZINC000062010846 184201307 /nfs/dbraw/zinc/20/13/07/184201307.db2.gz RFAJRHFLIYJRSV-LLVKDONJSA-N 1 0 316.854 2.415 10 0 DEAERO CS(=O)(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000062554752 184242369 /nfs/dbraw/zinc/24/23/69/184242369.db2.gz VRUKNZVXENBUCP-UHFFFAOYSA-N 1 0 308.447 2.033 10 0 DEAERO CCc1nc(N2CCn3ccnc3C2)sc1C[NH2+]C(C)C ZINC000062328110 184231279 /nfs/dbraw/zinc/23/12/79/184231279.db2.gz WDYDRKJPSHFZQZ-UHFFFAOYSA-N 1 0 305.451 2.420 10 0 DEAERO COC(=O)c1ccc(Cl)c(NC(=O)C2(C)CC[NH2+]CC2)c1 ZINC000062840190 184255834 /nfs/dbraw/zinc/25/58/34/184255834.db2.gz MSEKWDBEYOWDJK-UHFFFAOYSA-N 1 0 310.781 2.455 10 0 DEAERO CCC[C@]1(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC[NH2+]C1 ZINC000062893753 184259073 /nfs/dbraw/zinc/25/90/73/184259073.db2.gz BKWWOZRGEZMQSG-HNNXBMFYSA-N 1 0 309.797 2.157 10 0 DEAERO CNc1ccc(Cl)c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)n1 ZINC000062943584 184261703 /nfs/dbraw/zinc/26/17/03/184261703.db2.gz QPJMKCRAGYJUHW-NSHDSACASA-N 1 0 308.813 2.087 10 0 DEAERO Cc1ccc2[nH]c(SCC[C@@H]([NH2+]C(C)C)C(N)=O)nc2c1 ZINC000062604499 184244773 /nfs/dbraw/zinc/24/47/73/184244773.db2.gz UZXVQZTUEGNWLA-GFCCVEGCSA-N 1 0 306.435 2.205 10 0 DEAERO CCC1(CC)CC[NH+](CCC(=O)N(C)CCC(N)=S)CC1 ZINC000062953941 184262098 /nfs/dbraw/zinc/26/20/98/184262098.db2.gz SZSDMVOPGGTHNM-UHFFFAOYSA-N 1 0 313.511 2.413 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000063016854 184266862 /nfs/dbraw/zinc/26/68/62/184266862.db2.gz DESABVTZVYFSRQ-LBPRGKRZSA-N 1 0 320.252 2.144 10 0 DEAERO C[C@@H]([NH3+])Cc1cc(Cl)ccc1OCCCS(C)(=O)=O ZINC000063017548 184266916 /nfs/dbraw/zinc/26/69/16/184266916.db2.gz HABBINJPWCKGRT-SNVBAGLBSA-N 1 0 305.827 2.043 10 0 DEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC(F)(F)F)cc1 ZINC000063101540 184270843 /nfs/dbraw/zinc/27/08/43/184270843.db2.gz SCBYKHAUICYLQR-SECBINFHSA-N 1 0 310.341 2.198 10 0 DEAERO O=C(COc1ccc(OCC[NH+]2CCCCC2)cc1)NC1CC1 ZINC000063457441 184282095 /nfs/dbraw/zinc/28/20/95/184282095.db2.gz VNUIAPVQPDNDHZ-UHFFFAOYSA-N 1 0 318.417 2.209 10 0 DEAERO C[C@H]([NH2+]CCc1nccs1)c1ccc2c(c1)NC(=O)CO2 ZINC000063133623 184272813 /nfs/dbraw/zinc/27/28/13/184272813.db2.gz ZXSCNLWCCVGTRE-JTQLQIEISA-N 1 0 303.387 2.367 10 0 DEAERO CC[NH2+][C@@H](C)c1ccccc1NS(=O)(=O)CCOCC ZINC000063153869 184274091 /nfs/dbraw/zinc/27/40/91/184274091.db2.gz AODSELAYPBKHBX-LBPRGKRZSA-N 1 0 300.424 2.135 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1cc(Br)cn1C1CC1 ZINC000063172557 184276309 /nfs/dbraw/zinc/27/63/09/184276309.db2.gz IMGMQQQZVDLUQG-GHMZBOCLSA-N 1 0 312.211 2.195 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000063177848 184276766 /nfs/dbraw/zinc/27/67/66/184276766.db2.gz NGXABEVPFKFMHK-GHMZBOCLSA-N 1 0 308.325 2.272 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CSc2ccccc21 ZINC000536016301 284929457 /nfs/dbraw/zinc/92/94/57/284929457.db2.gz CBLCZQUQWFHFNZ-CQSZACIVSA-N 1 0 314.414 2.062 10 0 DEAERO CNC(=O)c1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000066874701 184437007 /nfs/dbraw/zinc/43/70/07/184437007.db2.gz HYZXOSHZUVLUIQ-GOSISDBHSA-N 1 0 315.461 2.497 10 0 DEAERO CC[NH2+]Cc1sc(N2CCN(C3CC3)CC2)nc1C1CC1 ZINC000069181766 184503365 /nfs/dbraw/zinc/50/33/65/184503365.db2.gz OTWJLKVJMUEUNI-UHFFFAOYSA-N 1 0 306.479 2.414 10 0 DEAERO Cc1cccc(CCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113608765 194605969 /nfs/dbraw/zinc/60/59/69/194605969.db2.gz ZOTBNCCXDRLPMH-RDJZCZTQSA-N 1 0 301.434 2.416 10 0 DEAERO COCOc1ccc(OC)cc1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000120010021 195080633 /nfs/dbraw/zinc/08/06/33/195080633.db2.gz NZNQCEZKNRSUMP-XJKSGUPXSA-N 1 0 309.406 2.319 10 0 DEAERO O=C1NC(=O)[C@@]2(CCC[N@@H+]([C@@H]3CCc4c3cccc4Cl)C2)N1 ZINC000248689594 296358217 /nfs/dbraw/zinc/35/82/17/296358217.db2.gz XJYSJDUSVAFKKK-CJNGLKHVSA-N 1 0 319.792 2.001 10 0 DEAERO CCOc1cccc2c1OCC(C(=O)N(C)CCC[NH+](C)C)=C2 ZINC000539418223 285076786 /nfs/dbraw/zinc/07/67/86/285076786.db2.gz YNRMBYGLXRYKIB-UHFFFAOYSA-N 1 0 318.417 2.271 10 0 DEAERO [NH3+][C@@H](C[S@@](=O)c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000159162745 197332129 /nfs/dbraw/zinc/33/21/29/197332129.db2.gz SFDQGHAWAOJNHO-QKKBWIMNSA-N 1 0 309.431 2.473 10 0 DEAERO CC[NH2+][C@H](CSc1nnc2n1CCCCC2)[C@@H]1CCOC1 ZINC000159258885 197340249 /nfs/dbraw/zinc/34/02/49/197340249.db2.gz WWNVZFMWWSBAHP-CHWSQXEVSA-N 1 0 310.467 2.111 10 0 DEAERO C[C@]1(c2ccccc2)CN(C2CCS(=O)CC2)CCC[NH2+]1 ZINC000159206165 197336008 /nfs/dbraw/zinc/33/60/08/197336008.db2.gz DPYQLEMEVJBOIR-BQIYRTECSA-N 1 0 306.475 2.108 10 0 DEAERO C[S@@](=O)CCN1CC2(CCCC2)[NH2+]C[C@@H]1c1ccccc1 ZINC000159189567 197334184 /nfs/dbraw/zinc/33/41/84/197334184.db2.gz RELJVERKZUHIKL-IERDGZPVSA-N 1 0 306.475 2.324 10 0 DEAERO [NH3+][C@H](C[S@](=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCOC1 ZINC000159125230 197329036 /nfs/dbraw/zinc/32/90/36/197329036.db2.gz XVYZENRXFJSFSE-XPSGODEUSA-N 1 0 308.230 2.465 10 0 DEAERO C[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(F)c(C[NH2+]C(C)(C)C)c1 ZINC000159109514 197328444 /nfs/dbraw/zinc/32/84/44/197328444.db2.gz NUIWRCSDVBIPLI-YGRLFVJLSA-N 1 0 314.426 2.401 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NC2CCCC2)cc(C)c1F ZINC000159085327 197325236 /nfs/dbraw/zinc/32/52/36/197325236.db2.gz JTKKSYJXAFYESL-UHFFFAOYSA-N 1 0 300.399 2.074 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCO[C@@H](c2cccs2)C1)C1CC1 ZINC000159060173 197324087 /nfs/dbraw/zinc/32/40/87/197324087.db2.gz LOLPJSFJJKNHRJ-CQSZACIVSA-N 1 0 323.462 2.315 10 0 DEAERO CO[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC000158942681 197312950 /nfs/dbraw/zinc/31/29/50/197312950.db2.gz LTCMHPGGNIZKAR-HUUCEWRRSA-N 1 0 313.486 2.467 10 0 DEAERO C[C@H](CC(N)=[NH2+])NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159037195 197320572 /nfs/dbraw/zinc/32/05/72/197320572.db2.gz UBADDDZEBSSSDN-SSDOTTSWSA-N 1 0 304.272 2.421 10 0 DEAERO CNc1ncc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000158897052 197309850 /nfs/dbraw/zinc/30/98/50/197309850.db2.gz UYMGXROLWVNUCL-VXGBXAGGSA-N 1 0 308.813 2.133 10 0 DEAERO Cc1cc(C[NH3+])cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c1C ZINC000158764956 197300390 /nfs/dbraw/zinc/30/03/90/197300390.db2.gz ZWTMZIFYIQXWCH-GASCZTMLSA-N 1 0 308.447 2.183 10 0 DEAERO COc1cnn(CC[NH+](C)C)c1[C@@H](O)c1sccc1Cl ZINC000158761091 197299322 /nfs/dbraw/zinc/29/93/22/197299322.db2.gz NNXZEMTUQVIDJW-GFCCVEGCSA-N 1 0 315.826 2.250 10 0 DEAERO CNc1ncnc2c1cnn2CC[N@H+](C)Cc1ccc(F)cc1 ZINC000194429038 533089644 /nfs/dbraw/zinc/08/96/44/533089644.db2.gz JRDJNDMLANJLBE-UHFFFAOYSA-N 1 0 314.368 2.139 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@H]2CCCOC2)CC1 ZINC000540937016 285141745 /nfs/dbraw/zinc/14/17/45/285141745.db2.gz MSMGMWHSBRKVNO-ZBFHGGJFSA-N 1 0 311.470 2.223 10 0 DEAERO CCCOc1nc(Cl)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000158569785 197284878 /nfs/dbraw/zinc/28/48/78/197284878.db2.gz WNBUSUVVMLFSIY-GHMZBOCLSA-N 1 0 311.817 2.353 10 0 DEAERO OCC1(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)CCCCC1 ZINC000158441678 197272908 /nfs/dbraw/zinc/27/29/08/197272908.db2.gz OGMDZHJYNFYVMK-CYBMUJFWSA-N 1 0 308.388 2.403 10 0 DEAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCOc3ccc(F)cc3)[C@@H]2C1 ZINC000158429202 197271766 /nfs/dbraw/zinc/27/17/66/197271766.db2.gz MZRITLBEQJOLMV-BRWVUGGUSA-N 1 0 309.381 2.473 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000158222453 197254493 /nfs/dbraw/zinc/25/44/93/197254493.db2.gz SEUWYIGGDOBLAS-GASCZTMLSA-N 1 0 308.447 2.217 10 0 DEAERO C[C@@H](C[NH3+])CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000158232811 197254643 /nfs/dbraw/zinc/25/46/43/197254643.db2.gz UYALHLHPNDABFP-SNVBAGLBSA-N 1 0 309.797 2.390 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000158062217 197240726 /nfs/dbraw/zinc/24/07/26/197240726.db2.gz SMWQBNYRBDIKBO-UHFFFAOYSA-N 1 0 321.396 2.024 10 0 DEAERO Cc1nn(C)c(C)c1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000157612001 197201563 /nfs/dbraw/zinc/20/15/63/197201563.db2.gz WQLYHCWCYQBRGR-ZDUSSCGKSA-N 1 0 320.481 2.410 10 0 DEAERO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)[C@@H](C)[NH3+])c1 ZINC000157655144 197205632 /nfs/dbraw/zinc/20/56/32/197205632.db2.gz YCYCGQAFCUKWGK-CRAIPNDOSA-N 1 0 312.413 2.404 10 0 DEAERO CCCN[C@@](C)(CCCC[N@H+](C)CCOCC)C(=O)OC ZINC000157479769 197191126 /nfs/dbraw/zinc/19/11/26/197191126.db2.gz QHIVOJNFIUAVKO-INIZCTEOSA-N 1 0 302.459 2.056 10 0 DEAERO COCC[NH2+]CCCc1c(C)nc(-c2cscn2)nc1C ZINC000157339034 197180649 /nfs/dbraw/zinc/18/06/49/197180649.db2.gz BELRUQSURZRWOG-UHFFFAOYSA-N 1 0 306.435 2.386 10 0 DEAERO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000157299329 197178378 /nfs/dbraw/zinc/17/83/78/197178378.db2.gz RLSAUMPIXKIFGC-CABCVRRESA-N 1 0 310.463 2.317 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000157288644 197176881 /nfs/dbraw/zinc/17/68/81/197176881.db2.gz ABIIFCIQCCQKHZ-HIFRSBDPSA-N 1 0 305.422 2.192 10 0 DEAERO CNC(=O)CCC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000541744296 285183753 /nfs/dbraw/zinc/18/37/53/285183753.db2.gz LMFZBFUSCCRWPM-INIZCTEOSA-N 1 0 320.824 2.279 10 0 DEAERO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO)c(OC)c1 ZINC000157195245 197168935 /nfs/dbraw/zinc/16/89/35/197168935.db2.gz KWNKATWHUPPFIU-AVGNSLFASA-N 1 0 324.421 2.027 10 0 DEAERO Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)c(C)n1 ZINC000329850706 404471141 /nfs/dbraw/zinc/47/11/41/404471141.db2.gz SMPWQMKDFIYDFF-HYSWKAIVSA-N 1 0 315.421 2.255 10 0 DEAERO CCC[C@H](C(=O)Nc1nc(C)c(C(=O)OCC)s1)[NH+](C)C ZINC000156817799 197143290 /nfs/dbraw/zinc/14/32/90/197143290.db2.gz AUIKFPZGOVFNLZ-SNVBAGLBSA-N 1 0 313.423 2.297 10 0 DEAERO Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)n2c1 ZINC000156676532 197132140 /nfs/dbraw/zinc/13/21/40/197132140.db2.gz YJBQYHDFMMSUIY-OAHLLOKOSA-N 1 0 310.405 2.146 10 0 DEAERO C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000156650839 197130304 /nfs/dbraw/zinc/13/03/04/197130304.db2.gz IKOXHHAFPYAXRE-CABCVRRESA-N 1 0 314.437 2.187 10 0 DEAERO C[NH2+]C[C@H]1CCCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000156609235 197127103 /nfs/dbraw/zinc/12/71/03/197127103.db2.gz LBRWFOLKMUTBDG-QSYFUGGGSA-N 1 0 314.838 2.324 10 0 DEAERO COc1ccc(OC)c(C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000156600076 197126821 /nfs/dbraw/zinc/12/68/21/197126821.db2.gz FVARBFMAXKAMDJ-UHFFFAOYSA-N 1 0 302.378 2.132 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000156287015 197101949 /nfs/dbraw/zinc/10/19/49/197101949.db2.gz ZYQWCFUDCPRGEC-CQSZACIVSA-N 1 0 321.469 2.039 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1c(F)cccc1OC ZINC000156111771 197088014 /nfs/dbraw/zinc/08/80/14/197088014.db2.gz RALXRULSLVGBDN-LBPRGKRZSA-N 1 0 303.399 2.310 10 0 DEAERO C[C@@H]1C[C@@H](Nc2cc(S(C)(=O)=O)ccc2F)CC[N@@H+]1C ZINC000155931194 197075893 /nfs/dbraw/zinc/07/58/93/197075893.db2.gz JGDPOTSNEQHEAR-MNOVXSKESA-N 1 0 300.399 2.124 10 0 DEAERO Cc1c(N)cccc1C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000155577876 197068143 /nfs/dbraw/zinc/06/81/43/197068143.db2.gz RWGDTKSLDPFZBQ-UHFFFAOYSA-N 1 0 304.415 2.271 10 0 DEAERO CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000155478796 197058655 /nfs/dbraw/zinc/05/86/55/197058655.db2.gz HKIGVUAKTLKEIO-RHSMWYFYSA-N 1 0 317.433 2.192 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C[C@@H]1CCOc2ccccc21 ZINC000155401403 197051750 /nfs/dbraw/zinc/05/17/50/197051750.db2.gz LEXLWIBUPFHSCM-ZNMIVQPWSA-N 1 0 302.418 2.494 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1cc(F)c(F)cc1F ZINC000155310613 197042005 /nfs/dbraw/zinc/04/20/05/197042005.db2.gz OUOCFRUUBVSBLC-UWVGGRQHSA-N 1 0 300.324 2.197 10 0 DEAERO C[C@H](COc1cccc(F)c1)NC(=O)N(C)CCC[NH+](C)C ZINC000542713596 285245045 /nfs/dbraw/zinc/24/50/45/285245045.db2.gz SXUFQMVYRGMCKW-CYBMUJFWSA-N 1 0 311.401 2.186 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2OCC(F)F)C1 ZINC000120390893 195157218 /nfs/dbraw/zinc/15/72/18/195157218.db2.gz VDQNORYQNWWCIK-LLVKDONJSA-N 1 0 313.348 2.498 10 0 DEAERO C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000120458321 195171439 /nfs/dbraw/zinc/17/14/39/195171439.db2.gz WBYHXQQPJQKTMV-QWHCGFSZSA-N 1 0 311.223 2.230 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)Nc1cnc2c(c1)CCCC2 ZINC000560365256 291929650 /nfs/dbraw/zinc/92/96/50/291929650.db2.gz HUSLMCDTOHFIGT-UHFFFAOYSA-N 1 0 311.389 2.011 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cnc(C(C)(C)C)s2)C[C@@H]1C ZINC000120645694 195207210 /nfs/dbraw/zinc/20/72/10/195207210.db2.gz HCQIVKLWNFVZIZ-QWHCGFSZSA-N 1 0 311.495 2.328 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000120665900 195212231 /nfs/dbraw/zinc/21/22/31/195212231.db2.gz ANWFWOUESWAPAI-VXGBXAGGSA-N 1 0 300.805 2.366 10 0 DEAERO Clc1ccc(OCCC[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000543554681 285293711 /nfs/dbraw/zinc/29/37/11/285293711.db2.gz GMRCLOWIBGQPCR-OAHLLOKOSA-N 1 0 310.825 2.125 10 0 DEAERO COC(=O)c1cc(NC(=O)N(C)CCC[NH+](C)C)ccc1C ZINC000543637917 285300310 /nfs/dbraw/zinc/30/03/10/285300310.db2.gz ZIPXTGOIDLEKFC-UHFFFAOYSA-N 1 0 307.394 2.197 10 0 DEAERO CC[C@@H]1CN(Cc2ccc(COC)cc2)CC[N@@H+]1CCOC ZINC000120931625 195266705 /nfs/dbraw/zinc/26/67/05/195266705.db2.gz WSECATNXXAVLHO-GOSISDBHSA-N 1 0 306.450 2.376 10 0 DEAERO c1ccc(OC2CC2)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000289978431 221356894 /nfs/dbraw/zinc/35/68/94/221356894.db2.gz JNGVUVULKKJLBB-MRXNPFEDSA-N 1 0 316.445 2.382 10 0 DEAERO CC1=N[C@]2(CC[C@H]3C[N@H+](Cc4cccc(C)c4)C[C@H]32)C(=O)N1C ZINC000248020980 257112117 /nfs/dbraw/zinc/11/21/17/257112117.db2.gz HSYYZJOPWIWVAS-SCTDSRPQSA-N 1 0 311.429 2.466 10 0 DEAERO c1cc(C[N@@H+]2C[C@@H](Oc3cccnc3)[C@@H]3OCCC[C@H]32)co1 ZINC000247925219 257114055 /nfs/dbraw/zinc/11/40/55/257114055.db2.gz ASROFTVAYQWGAI-BRWVUGGUSA-N 1 0 300.358 2.485 10 0 DEAERO O=C(c1ccoc1)N1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC000247887354 257114977 /nfs/dbraw/zinc/11/49/77/257114977.db2.gz XMESQTDUZAFOIG-WBVHZDCISA-N 1 0 311.385 2.269 10 0 DEAERO O=C([C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccoc2)O1)N1CCCC1 ZINC000247800258 257116811 /nfs/dbraw/zinc/11/68/11/257116811.db2.gz UXRHORKILHGBLX-JYJNAYRXSA-N 1 0 304.390 2.024 10 0 DEAERO O=C(C[C@@H]1C[C@@H]2C[N@@H+](C3CCC3)C[C@@H]2O1)NCc1cccs1 ZINC000247759986 257117972 /nfs/dbraw/zinc/11/79/72/257117972.db2.gz GWVCDAMJIYLDGM-INWMFGNUSA-N 1 0 320.458 2.396 10 0 DEAERO O=C(NC[C@H]1CC2(C[NH+](Cc3cccs3)C2)CO1)C1CCC1 ZINC000096078072 257135758 /nfs/dbraw/zinc/13/57/58/257135758.db2.gz LFHATUFSFXUVMB-CQSZACIVSA-N 1 0 320.458 2.255 10 0 DEAERO Fc1cccc(C[N@@H+]2C[C@@H]3OCCN(c4cccnc4)[C@H]3C2)c1 ZINC000503717076 257209251 /nfs/dbraw/zinc/20/92/51/257209251.db2.gz PAUGOPMACXFJNP-ROUUACIJSA-N 1 0 313.376 2.310 10 0 DEAERO Fc1cccnc1OC[C@@]12COC[C@H]1C[N@H+](Cc1ccco1)C2 ZINC000503717662 257209315 /nfs/dbraw/zinc/20/93/15/257209315.db2.gz UISKPKBCVSOQDB-CXAGYDPISA-N 1 0 318.348 2.341 10 0 DEAERO CC(=O)c1ccc(S(=O)(=O)N2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000521394469 257240959 /nfs/dbraw/zinc/24/09/59/257240959.db2.gz ONBQOHBVTBPYQF-UHFFFAOYSA-N 1 0 324.446 2.040 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(-c2ccncc2)on1 ZINC000120964685 195273467 /nfs/dbraw/zinc/27/34/67/195273467.db2.gz UPDGNIXFQGUBEY-CQSZACIVSA-N 1 0 316.405 2.443 10 0 DEAERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000121161553 195300515 /nfs/dbraw/zinc/30/05/15/195300515.db2.gz XCJPBAJQESATKX-AWEZNQCLSA-N 1 0 304.434 2.477 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)NCc1ncc(-c2ccccc2)o1 ZINC000544661061 285365980 /nfs/dbraw/zinc/36/59/80/285365980.db2.gz YZUXEVSMKXEZBV-UHFFFAOYSA-N 1 0 316.405 2.435 10 0 DEAERO C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1-n1cccn1 ZINC000121611436 195316115 /nfs/dbraw/zinc/31/61/15/195316115.db2.gz DTERSSXRZOUIBN-CQSZACIVSA-N 1 0 312.417 2.391 10 0 DEAERO C[C@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000122022153 195391313 /nfs/dbraw/zinc/39/13/13/195391313.db2.gz GWPBOVMLBYQMHB-YOEHRIQHSA-N 1 0 302.418 2.335 10 0 DEAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1ccc(Br)cn1 ZINC000122159655 195411750 /nfs/dbraw/zinc/41/17/50/195411750.db2.gz JYXKPEAVKIYMEF-TZMCWYRMSA-N 1 0 307.191 2.448 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1c(F)cc(F)cc1Cl ZINC000124271407 195622923 /nfs/dbraw/zinc/62/29/23/195622923.db2.gz RCRDHICKBXXFJV-LDYMZIIASA-N 1 0 304.724 2.181 10 0 DEAERO COCCOCCOCCO[C@@H](c1ccc(C)s1)[C@H](C)[NH3+] ZINC000124798719 195681108 /nfs/dbraw/zinc/68/11/08/195681108.db2.gz MZXDVJCSWBLWFR-DZGCQCFKSA-N 1 0 317.451 2.141 10 0 DEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@]1(CCO)CCOC1 ZINC000125758802 195782930 /nfs/dbraw/zinc/78/29/30/195782930.db2.gz JMZTYTGZMLQITG-ROUUACIJSA-N 1 0 305.418 2.451 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545150595 285392188 /nfs/dbraw/zinc/39/21/88/285392188.db2.gz JNNOECVOXONERZ-ZDUSSCGKSA-N 1 0 320.437 2.174 10 0 DEAERO C[C@H]1CCN(CC(=O)Nc2ccc3c(c2)CCC3)[C@@H](C[NH3+])C1 ZINC000262583179 533637708 /nfs/dbraw/zinc/63/77/08/533637708.db2.gz ZHJCUKLYUXUAHW-SUMWQHHRSA-N 1 0 301.434 2.173 10 0 DEAERO COC[C@H]1CCCN1c1nc(CC[NH3+])nc2sc(C)c(C)c21 ZINC000065380321 285448155 /nfs/dbraw/zinc/44/81/55/285448155.db2.gz SGTJPUZTTBBUTP-GFCCVEGCSA-N 1 0 320.462 2.425 10 0 DEAERO Cc1cc2c(cc1C)O[C@H](C(=O)N1C[C@@H]3CCC[N@H+]3C[C@H]1C)C2 ZINC000246815865 292005615 /nfs/dbraw/zinc/00/56/15/292005615.db2.gz KYTLEDRGIZDUEO-HFTRVMKXSA-N 1 0 314.429 2.302 10 0 DEAERO C[C@@H](NC(=O)Cc1ccccc1)C1([NH+]2CCOCC2)CCCC1 ZINC000175927293 132516451 /nfs/dbraw/zinc/51/64/51/132516451.db2.gz OKZOJIICXUIVRX-MRXNPFEDSA-N 1 0 316.445 2.379 10 0 DEAERO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000177206476 132525645 /nfs/dbraw/zinc/52/56/45/132525645.db2.gz SCCVGTGMXWUKIV-CQSZACIVSA-N 1 0 300.406 2.438 10 0 DEAERO CNC(=O)c1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245956934 132574153 /nfs/dbraw/zinc/57/41/53/132574153.db2.gz XKONNVWLDOUZDJ-BZUAXINKSA-N 1 0 302.418 2.339 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)COC/C=C/c2ccccc2)C1 ZINC000357427384 133077585 /nfs/dbraw/zinc/07/75/85/133077585.db2.gz QNBAEOJVGHENNW-NADMHLTPSA-N 1 0 302.418 2.174 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000358012888 133115573 /nfs/dbraw/zinc/11/55/73/133115573.db2.gz BLEMAXFWQHMZOC-RISCZKNCSA-N 1 0 313.239 2.368 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1F ZINC000358192780 133127025 /nfs/dbraw/zinc/12/70/25/133127025.db2.gz QFBYCQWBGROLLA-WBMJQRKESA-N 1 0 306.381 2.256 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@@H](C)Oc2ccccc2)CC1 ZINC000358192314 133127418 /nfs/dbraw/zinc/12/74/18/133127418.db2.gz PPUUOKZKZMSLMS-MRXNPFEDSA-N 1 0 317.433 2.405 10 0 DEAERO CO[C@@H](CNC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccccc1 ZINC000358196265 133127560 /nfs/dbraw/zinc/12/75/60/133127560.db2.gz UYEMSOSJPVDQQH-KRWDZBQOSA-N 1 0 317.433 2.325 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(F)c1 ZINC000358197729 133127594 /nfs/dbraw/zinc/12/75/94/133127594.db2.gz GBVYXRGHEFBPQJ-MLGOLLRUSA-N 1 0 306.381 2.256 10 0 DEAERO O=C(NC[C@@H](CO)C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000359779657 133144555 /nfs/dbraw/zinc/14/45/55/133144555.db2.gz YCGAGIGGQQLMFM-ROUUACIJSA-N 1 0 316.445 2.033 10 0 DEAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000360299689 133173993 /nfs/dbraw/zinc/17/39/93/133173993.db2.gz RTJJALPONGVYBV-GDBMZVCRSA-N 1 0 316.401 2.067 10 0 DEAERO c1ccc(OC[C@@H]2CN(CC[NH+]3CCCCC3)CCO2)cc1 ZINC000361987712 133203319 /nfs/dbraw/zinc/20/33/19/133203319.db2.gz UJBDWSWZRYOFAE-SFHVURJKSA-N 1 0 304.434 2.252 10 0 DEAERO C(CN1CCC(c2nnc3n2CCC3)CC1)C[NH+]1CCCCC1 ZINC000376395189 133292732 /nfs/dbraw/zinc/29/27/32/133292732.db2.gz CQVOEPUEYQETOH-UHFFFAOYSA-N 1 0 317.481 2.280 10 0 DEAERO CCCn1nccc1C1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000377118826 133319288 /nfs/dbraw/zinc/31/92/88/133319288.db2.gz ZOHWZTMFVDOWJH-QGZVFWFLSA-N 1 0 318.465 2.482 10 0 DEAERO c1cnn([C@H]2CCCC[C@@H]2[NH2+]Cc2nnc3n2CCCC3)c1 ZINC000330138042 285560256 /nfs/dbraw/zinc/56/02/56/285560256.db2.gz VIVWWDXAHTWKOK-KBPBESRZSA-N 1 0 300.410 2.084 10 0 DEAERO O[C@]1(C2CC2)CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000373271139 133384699 /nfs/dbraw/zinc/38/46/99/133384699.db2.gz PEFUFXOVSPONPL-GOSISDBHSA-N 1 0 315.392 2.417 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CC2(CCO)CC2)c2ccccc2C1 ZINC000373520835 133394042 /nfs/dbraw/zinc/39/40/42/133394042.db2.gz JIGSPKIQJHFXDU-KRWDZBQOSA-N 1 0 302.418 2.232 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+]CC2(CCO)CC2)c2ccccc2C1 ZINC000373520838 133394062 /nfs/dbraw/zinc/39/40/62/133394062.db2.gz JIGSPKIQJHFXDU-QGZVFWFLSA-N 1 0 302.418 2.232 10 0 DEAERO Cc1nccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)n1 ZINC000373528313 133394344 /nfs/dbraw/zinc/39/43/44/133394344.db2.gz JYEAJDAZSRITHU-INIZCTEOSA-N 1 0 316.449 2.400 10 0 DEAERO [NH3+]CCCOC1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000094073312 134424827 /nfs/dbraw/zinc/42/48/27/134424827.db2.gz SCHIIYGILKHTMU-UHFFFAOYSA-N 1 0 303.328 2.435 10 0 DEAERO CC[NH+]1CCN(c2cccc(Nc3ccncc3C#N)c2)CC1 ZINC000547504479 285593153 /nfs/dbraw/zinc/59/31/53/285593153.db2.gz BQOYHDLJFQZHAS-UHFFFAOYSA-N 1 0 307.401 2.261 10 0 DEAERO O=C(N[C@H]1CCn2ccnc2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000548310886 285716153 /nfs/dbraw/zinc/71/61/53/285716153.db2.gz ZJJSGOZDYOQYSQ-KRWDZBQOSA-N 1 0 324.428 2.224 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCC[NH+]1CCCCC1)CC2 ZINC000364627966 404477089 /nfs/dbraw/zinc/47/70/89/404477089.db2.gz ANNSAQICKXDEIC-CQSZACIVSA-N 1 0 318.465 2.240 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCC[NH+]1CCCCC1)CC2 ZINC000364627965 404477178 /nfs/dbraw/zinc/47/71/78/404477178.db2.gz ANNSAQICKXDEIC-AWEZNQCLSA-N 1 0 318.465 2.240 10 0 DEAERO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000564760385 292108913 /nfs/dbraw/zinc/10/89/13/292108913.db2.gz HHVAIXXYCQXWND-UPJWGTAASA-N 1 0 314.451 2.011 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)[C@@H](C[NH3+])C1 ZINC000235359679 296561469 /nfs/dbraw/zinc/56/14/69/296561469.db2.gz HBAXJKCGHYYVAY-MWLCHTKSSA-N 1 0 320.817 2.227 10 0 DEAERO c1cc(N2CCCC2)ncc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564973462 292123976 /nfs/dbraw/zinc/12/39/76/292123976.db2.gz GSAHWVJWDOYIJA-GOSISDBHSA-N 1 0 300.450 2.257 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC000117762356 144652930 /nfs/dbraw/zinc/65/29/30/144652930.db2.gz DNMGBABCQJYOAH-GJZGRUSLSA-N 1 0 302.418 2.401 10 0 DEAERO Cc1nccn1C[C@H](C)CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000124114693 144706687 /nfs/dbraw/zinc/70/66/87/144706687.db2.gz UMFBKHNMZYDPEX-CABCVRRESA-N 1 0 321.469 2.001 10 0 DEAERO Cc1c(C(=O)NC[C@H]2CCC[NH2+]2)cnn1-c1ccccc1Cl ZINC000178742989 144864626 /nfs/dbraw/zinc/86/46/26/144864626.db2.gz XTHYZLIMEDBJJO-GFCCVEGCSA-N 1 0 318.808 2.316 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC(Nc2ccccc2F)CC1 ZINC000178810704 144865484 /nfs/dbraw/zinc/86/54/84/144865484.db2.gz GAEFPOLRAXZXGZ-AWEZNQCLSA-N 1 0 305.397 2.371 10 0 DEAERO CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000179113501 144870579 /nfs/dbraw/zinc/87/05/79/144870579.db2.gz 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ONQINMPGUREDEG-HKUYNNGSSA-N 1 0 316.445 2.067 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(O)cc1 ZINC000248872387 145171228 /nfs/dbraw/zinc/17/12/28/145171228.db2.gz KPBGHXFFDXULGM-HOTGVXAUSA-N 1 0 302.418 2.410 10 0 DEAERO C[C@@H]1CN(CC[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)CCO1 ZINC000248888850 145172162 /nfs/dbraw/zinc/17/21/62/145172162.db2.gz AODQYEZDLIBYLO-NZSAHSFTSA-N 1 0 318.461 2.295 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCCCS(=O)(=O)CC ZINC000248967181 145174341 /nfs/dbraw/zinc/17/43/41/145174341.db2.gz BUZFWIXPKQLPLW-CVEARBPZSA-N 1 0 316.511 2.150 10 0 DEAERO CC[C@](C)(O)C[N@@H+]1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000249076000 145177727 /nfs/dbraw/zinc/17/77/27/145177727.db2.gz BCAHYTYMRXIZBA-NUJGCVRESA-N 1 0 305.418 2.426 10 0 DEAERO C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249553019 145186388 /nfs/dbraw/zinc/18/63/88/145186388.db2.gz IRNOAUHJTLCJBE-IVMMDQJWSA-N 1 0 322.474 2.203 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000249741859 145188965 /nfs/dbraw/zinc/18/89/65/145188965.db2.gz IVDGPBVMQZXLJM-WQVCFCJDSA-N 1 0 315.417 2.105 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000249741856 145189265 /nfs/dbraw/zinc/18/92/65/145189265.db2.gz IVDGPBVMQZXLJM-DAXOMENPSA-N 1 0 315.417 2.105 10 0 DEAERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000249873178 145190713 /nfs/dbraw/zinc/19/07/13/145190713.db2.gz GKNAYFWTMGSYRO-NVXWUHKLSA-N 1 0 303.450 2.044 10 0 DEAERO CO[C@H]1C[N@H+](Cc2cc(-c3cnn(C)c3C)no2)CC[C@@H]1C ZINC000252015702 145197989 /nfs/dbraw/zinc/19/79/89/145197989.db2.gz YDNKZIPYLLEEAF-ZBEGNZNMSA-N 1 0 304.394 2.240 10 0 DEAERO CO[C@@H]1C[N@H+](CCC(=O)Nc2cc(N)ccc2F)CC[C@@H]1C ZINC000252017805 145197994 /nfs/dbraw/zinc/19/79/94/145197994.db2.gz YJXKGKIIQPWROW-XHDPSFHLSA-N 1 0 309.385 2.093 10 0 DEAERO C[C@H](CC[NH2+][C@@H]1CCN(CCc2ccccc2)C1)[S@](C)=O ZINC000252716435 145199687 /nfs/dbraw/zinc/19/96/87/145199687.db2.gz YLQNLWXJSQSMIZ-CEQIKUNHSA-N 1 0 308.491 2.050 10 0 DEAERO C[C@H](NC(=O)C[N@@H+]1CC[C@H](CCO)C1)c1ccccc1Cl ZINC000252895442 145200371 /nfs/dbraw/zinc/20/03/71/145200371.db2.gz YTLGINGIJJRPHK-QWHCGFSZSA-N 1 0 310.825 2.222 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(NC=O)cc2)[C@H]1c1ccccc1 ZINC000252801462 145201094 /nfs/dbraw/zinc/20/10/94/145201094.db2.gz JOTUAVSWHCGFET-ZWKOTPCHSA-N 1 0 323.396 2.430 10 0 DEAERO C[C@H](NC(=O)CN(CC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000261558349 145207926 /nfs/dbraw/zinc/20/79/26/145207926.db2.gz YEMGDIXTIOJLPY-INIZCTEOSA-N 1 0 311.429 2.325 10 0 DEAERO Fc1ccc(OCCN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261602003 145208948 /nfs/dbraw/zinc/20/89/48/145208948.db2.gz AMKTVQRZNRSKDP-KRWDZBQOSA-N 1 0 301.365 2.246 10 0 DEAERO C[C@@H]1CCN(c2ncnc3c2cnn3-c2ccccc2)[C@@H](C[NH3+])C1 ZINC000261606132 145209975 /nfs/dbraw/zinc/20/99/75/145209975.db2.gz CRUSDJCXKFQIIT-UKRRQHHQSA-N 1 0 322.416 2.379 10 0 DEAERO Cc1ccccc1CCNC(=O)[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261615232 145210682 /nfs/dbraw/zinc/21/06/82/145210682.db2.gz CSEJTROIMATASN-RDJZCZTQSA-N 1 0 317.477 2.101 10 0 DEAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000261626167 145211587 /nfs/dbraw/zinc/21/15/87/145211587.db2.gz COXLXOORYUGLIG-AWEZNQCLSA-N 1 0 317.368 2.123 10 0 DEAERO COc1ccccc1[C@H]1C[NH2+]CCN1CCOCC(F)(F)F ZINC000261647854 145213073 /nfs/dbraw/zinc/21/30/73/145213073.db2.gz GCJAMIISNRVVBE-CYBMUJFWSA-N 1 0 318.339 2.220 10 0 DEAERO CN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261653242 145213475 /nfs/dbraw/zinc/21/34/75/145213475.db2.gz FOLMOYHRCPMHKL-HVVXOQGOSA-N 1 0 319.493 2.382 10 0 DEAERO CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261652080 145213663 /nfs/dbraw/zinc/21/36/63/145213663.db2.gz HMQSZEBEHSZWCN-JKSUJKDBSA-N 1 0 319.449 2.472 10 0 DEAERO Cc1nn(C)c2sc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)cc12 ZINC000261689992 145216908 /nfs/dbraw/zinc/21/69/08/145216908.db2.gz AZWKVZRDKOCNRV-LBPRGKRZSA-N 1 0 306.435 2.143 10 0 DEAERO CCOc1ccccc1CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261693860 145217491 /nfs/dbraw/zinc/21/74/91/145217491.db2.gz DZWAFBMVELXLAS-CALCHBBNSA-N 1 0 316.445 2.476 10 0 DEAERO C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000261699534 145218338 /nfs/dbraw/zinc/21/83/38/145218338.db2.gz CMFNRRYEJFSKME-FLTUCWPJSA-N 1 0 302.418 2.446 10 0 DEAERO Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000261712297 145219053 /nfs/dbraw/zinc/21/90/53/145219053.db2.gz GHETYNPNRCFNTQ-HRCADAONSA-N 1 0 302.418 2.220 10 0 DEAERO CC(C)(C)c1cc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)n(C(C)(C)C)n1 ZINC000261719110 145220108 /nfs/dbraw/zinc/22/01/08/145220108.db2.gz CHXIBOYQQXYWFZ-NEPJUHHUSA-N 1 0 322.453 2.380 10 0 DEAERO CO[C@H]1CCN(Cc2cnc(C(F)(F)F)s2)[C@H](C[NH3+])C1 ZINC000261758811 145223744 /nfs/dbraw/zinc/22/37/44/145223744.db2.gz CSRSOQWDGKMARQ-IUCAKERBSA-N 1 0 309.357 2.100 10 0 DEAERO CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261770078 145224383 /nfs/dbraw/zinc/22/43/83/145224383.db2.gz MFIBDIWQUTZLNV-CQSZACIVSA-N 1 0 314.788 2.191 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)Cc1nc(-c2ccoc2)no1 ZINC000261766137 145224559 /nfs/dbraw/zinc/22/45/59/145224559.db2.gz NNWMJXWFINBAHM-UHFFFAOYSA-N 1 0 312.373 2.333 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000261774247 145225024 /nfs/dbraw/zinc/22/50/24/145225024.db2.gz RSHYLDNDDSAHDV-SFHVURJKSA-N 1 0 310.397 2.020 10 0 DEAERO COc1cc(C)c(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261788945 145226445 /nfs/dbraw/zinc/22/64/45/145226445.db2.gz GLLGQAMWMSXVFT-OAHLLOKOSA-N 1 0 306.406 2.212 10 0 DEAERO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261790737 145226467 /nfs/dbraw/zinc/22/64/67/145226467.db2.gz NMMKSLSHCNJYTJ-DOMZBBRYSA-N 1 0 323.868 2.404 10 0 DEAERO CC1(C)CN(CC(=O)NC2(c3ccccc3)CCC2)CC[C@@H]1[NH3+] ZINC000261796280 145227312 /nfs/dbraw/zinc/22/73/12/145227312.db2.gz VLCAIYIMAFBZIO-INIZCTEOSA-N 1 0 315.461 2.241 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)CC[C@H]1CCCCO1 ZINC000261807018 145227999 /nfs/dbraw/zinc/22/79/99/145227999.db2.gz WJCSXSYMFLVJNA-QGZVFWFLSA-N 1 0 304.434 2.366 10 0 DEAERO CC1(C)CN([C@H](C(=O)NC2CC2)c2ccccc2)CC[C@H]1[NH3+] ZINC000261802511 145228468 /nfs/dbraw/zinc/22/84/68/145228468.db2.gz VYQLTCNXLPXHHG-CVEARBPZSA-N 1 0 301.434 2.066 10 0 DEAERO COC(=O)c1ccc(Cl)c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000261815267 145230113 /nfs/dbraw/zinc/23/01/13/145230113.db2.gz IAMJQLOYJVTWPN-OKILXGFUSA-N 1 0 308.809 2.453 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261844001 145232520 /nfs/dbraw/zinc/23/25/20/145232520.db2.gz PUJIUJYUPWDXCU-UHFFFAOYSA-N 1 0 303.406 2.085 10 0 DEAERO C[C@H]1CCCC[C@@H]1NC(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261847287 145232942 /nfs/dbraw/zinc/23/29/42/145232942.db2.gz XMIMXJXTAIDNJP-WMZOPIPTSA-N 1 0 317.477 2.185 10 0 DEAERO CCOc1ccc2c(c1)C[C@@H](c1nc(C[C@@H](C)[NH2+]C)no1)CO2 ZINC000261862774 145234569 /nfs/dbraw/zinc/23/45/69/145234569.db2.gz UMEWBRUVGYFIMC-DGCLKSJQSA-N 1 0 317.389 2.337 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261868057 145235421 /nfs/dbraw/zinc/23/54/21/145235421.db2.gz SAZVAMIIFCEMBQ-XJKSGUPXSA-N 1 0 320.481 2.284 10 0 DEAERO Fc1ccc(Oc2ccc(CNC3=[NH+]CCCN3)cn2)cc1 ZINC000261876259 145236893 /nfs/dbraw/zinc/23/68/93/145236893.db2.gz PYPGPDTUKSOUMR-UHFFFAOYSA-N 1 0 300.337 2.452 10 0 DEAERO O=C(CCc1nc2ccccc2o1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261884181 145237600 /nfs/dbraw/zinc/23/76/00/145237600.db2.gz UKZOJVOVBHDYJW-OKILXGFUSA-N 1 0 313.401 2.218 10 0 DEAERO COc1cc(N[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc(OC)c1 ZINC000261888054 145238110 /nfs/dbraw/zinc/23/81/10/145238110.db2.gz GDQMBRSSCRDPSK-BBWFWOEESA-N 1 0 306.406 2.273 10 0 DEAERO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261886303 145238130 /nfs/dbraw/zinc/23/81/30/145238130.db2.gz VDBROJKLYIUWMX-ZYHUDNBSSA-N 1 0 310.829 2.121 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000261890060 145238140 /nfs/dbraw/zinc/23/81/40/145238140.db2.gz VJHGSIAOMLACLR-LLVKDONJSA-N 1 0 320.817 2.227 10 0 DEAERO COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261896910 145238621 /nfs/dbraw/zinc/23/86/21/145238621.db2.gz DEWDMSRWIOXKTE-KFWWJZLASA-N 1 0 322.449 2.004 10 0 DEAERO [NH3+][C@@H](C(=O)NCCCCCc1ccccc1)C1CCOCC1 ZINC000261901862 145239676 /nfs/dbraw/zinc/23/96/76/145239676.db2.gz WPXJSCWBBPVNFO-QGZVFWFLSA-N 1 0 304.434 2.270 10 0 DEAERO CCn1cc(CN2CC[NH2+]C[C@H]2c2ccccc2OC)cn1 ZINC000261898584 145239728 /nfs/dbraw/zinc/23/97/28/145239728.db2.gz WILJIYKDLHFQLQ-INIZCTEOSA-N 1 0 300.406 2.058 10 0 DEAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000261914118 145240639 /nfs/dbraw/zinc/24/06/39/145240639.db2.gz YLICRQBKVDUZLD-QWRGUYRKSA-N 1 0 302.353 2.025 10 0 DEAERO CCCN(Cc1ccc2c(c1)sc(=O)n2C)[C@@H]1CC[NH2+]C1 ZINC000261919692 145242118 /nfs/dbraw/zinc/24/21/18/145242118.db2.gz KGDGXZSXTOUEMY-CYBMUJFWSA-N 1 0 305.447 2.174 10 0 DEAERO O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000261925038 145242380 /nfs/dbraw/zinc/24/23/80/145242380.db2.gz YCLLKGDDVGZDQK-ZFWWWQNUSA-N 1 0 316.401 2.469 10 0 DEAERO CCCN(CCc1cccc(F)c1)C(=O)C1([NH3+])CCOCC1 ZINC000261922495 145242529 /nfs/dbraw/zinc/24/25/29/145242529.db2.gz VCZXESHTPZDMEL-UHFFFAOYSA-N 1 0 308.397 2.115 10 0 DEAERO Cc1noc(C)c1CSCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261949197 145245371 /nfs/dbraw/zinc/24/53/71/145245371.db2.gz JYUKARUMSZKQHM-CYBMUJFWSA-N 1 0 311.451 2.110 10 0 DEAERO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261952780 145246190 /nfs/dbraw/zinc/24/61/90/145246190.db2.gz QBCHROAFFFNZHD-GJZGRUSLSA-N 1 0 300.402 2.243 10 0 DEAERO COc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000261956886 145247316 /nfs/dbraw/zinc/24/73/16/145247316.db2.gz XGLMHRZWPRDUNM-PZSREKOKSA-N 1 0 322.380 2.305 10 0 DEAERO Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261964477 145247945 /nfs/dbraw/zinc/24/79/45/145247945.db2.gz PYEPHYSXRXCDEE-KSZLIROESA-N 1 0 306.425 2.423 10 0 DEAERO COc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)ccc1C ZINC000261970354 145248064 /nfs/dbraw/zinc/24/80/64/145248064.db2.gz QMWQBYXQMONTOM-KSZLIROESA-N 1 0 318.461 2.293 10 0 DEAERO CC1(C)CCC[C@H](CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000261973430 145248487 /nfs/dbraw/zinc/24/84/87/145248487.db2.gz BSDIHQOQNTZWNL-HZPDHXFCSA-N 1 0 307.482 2.099 10 0 DEAERO CCOc1ccc(OCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261986063 145250002 /nfs/dbraw/zinc/25/00/02/145250002.db2.gz MMICMPUYOFHXIU-OAHLLOKOSA-N 1 0 306.406 2.050 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc(Nc2cnccn2)c1 ZINC000262024894 145254781 /nfs/dbraw/zinc/25/47/81/145254781.db2.gz RVIDJZDXUGBKNQ-OLZOCXBDSA-N 1 0 311.389 2.030 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)Oc1ccc(F)cc1 ZINC000262036135 145255200 /nfs/dbraw/zinc/25/52/00/145255200.db2.gz XZZUHVNNGBRWEK-BVPBIZIASA-N 1 0 322.424 2.340 10 0 DEAERO COc1ccc(C2(C(=O)NCC3C[NH2+]C3)CCCCC2)cc1 ZINC000262040581 145256241 /nfs/dbraw/zinc/25/62/41/145256241.db2.gz RUGLCECXHLUXKC-UHFFFAOYSA-N 1 0 302.418 2.233 10 0 DEAERO Fc1cc(F)cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000262054003 145257466 /nfs/dbraw/zinc/25/74/66/145257466.db2.gz ZZBFAIRURDYGCT-GVDBMIGSSA-N 1 0 310.388 2.254 10 0 DEAERO CC1(C)CN(C(=O)c2cncn2-c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000262067825 145259205 /nfs/dbraw/zinc/25/92/05/145259205.db2.gz SEBSWUHQURRXLW-HNNXBMFYSA-N 1 0 316.380 2.211 10 0 DEAERO CCN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000262089212 145260672 /nfs/dbraw/zinc/26/06/72/145260672.db2.gz UPNAAGFYTQNJLU-SJLPKXTDSA-N 1 0 301.434 2.113 10 0 DEAERO CSc1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)ccc1NC(C)=O ZINC000262125027 145263754 /nfs/dbraw/zinc/26/37/54/145263754.db2.gz WKNYFJRYWUKSBR-MRXNPFEDSA-N 1 0 321.446 2.178 10 0 DEAERO CSc1cccc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000262163602 145266817 /nfs/dbraw/zinc/26/68/17/145266817.db2.gz ADJMLISVJWPTIG-ZDUSSCGKSA-N 1 0 314.476 2.156 10 0 DEAERO C[C@H](C(=O)NCc1ccc(CO)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000262305628 145275295 /nfs/dbraw/zinc/27/52/95/145275295.db2.gz OPMCOXCQVYIASF-SJCJKPOMSA-N 1 0 316.376 2.270 10 0 DEAERO C[C@@]1(C[NH3+])CCN(C(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000262332987 145277279 /nfs/dbraw/zinc/27/72/79/145277279.db2.gz GZKPOWGMNHUSAD-INIZCTEOSA-N 1 0 310.344 2.125 10 0 DEAERO COc1ccc(Cc2noc([C@H]3CC[C@H]([NH3+])C3)n2)cc1OC ZINC000262390214 145280583 /nfs/dbraw/zinc/28/05/83/145280583.db2.gz ZRUWZJQWCMSUOU-RYUDHWBXSA-N 1 0 303.362 2.272 10 0 DEAERO C[C@H](CC(=O)Nc1ccccc1C(=O)NCC[NH3+])C(C)(C)C ZINC000262403527 145282024 /nfs/dbraw/zinc/28/20/24/145282024.db2.gz CNGKXPRZXCWVQE-GFCCVEGCSA-N 1 0 305.422 2.386 10 0 DEAERO Cc1cccc(N(C)C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000262412805 145282305 /nfs/dbraw/zinc/28/23/05/145282305.db2.gz DHKLPTNHSQISPW-HDMKZQKVSA-N 1 0 302.418 2.490 10 0 DEAERO CC(C)c1ccc(NC(=O)CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000262443407 145284266 /nfs/dbraw/zinc/28/42/66/145284266.db2.gz GZPYJMMUYVIBRD-DOTOQJQBSA-N 1 0 301.434 2.432 10 0 DEAERO C[C@@H]1CCN(Cc2nc(-c3ccc(F)cc3)no2)[C@@H](C[NH3+])C1 ZINC000262492310 145287634 /nfs/dbraw/zinc/28/76/34/145287634.db2.gz LCXBEERSPNKCGL-BXUZGUMPSA-N 1 0 304.369 2.435 10 0 DEAERO C[C@H](C[NH3+])C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000262508456 145288817 /nfs/dbraw/zinc/28/88/17/145288817.db2.gz JIYUYGAVPWIIFC-ZWNOBZJWSA-N 1 0 316.323 2.200 10 0 DEAERO COc1cc(-c2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)ncn1 ZINC000262516572 145290036 /nfs/dbraw/zinc/29/00/36/145290036.db2.gz NPWRDKKULXRKJY-FOGDFJRCSA-N 1 0 301.350 2.128 10 0 DEAERO C[C@H](C(=O)N1CCC(Cc2cccc(F)c2)CC1)C1C[NH2+]C1 ZINC000262549630 145291895 /nfs/dbraw/zinc/29/18/95/145291895.db2.gz OMRBPCHXQKRDNI-ZDUSSCGKSA-N 1 0 304.409 2.462 10 0 DEAERO Cc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000262600424 145296295 /nfs/dbraw/zinc/29/62/95/145296295.db2.gz XRYCDDUSMFIWFT-AWEZNQCLSA-N 1 0 314.429 2.272 10 0 DEAERO Cc1ccc([C@H](O)CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000262621787 145296643 /nfs/dbraw/zinc/29/66/43/145296643.db2.gz IYBPUNLUEJEFFB-DJIMGWMZSA-N 1 0 304.434 2.170 10 0 DEAERO C[C@@H](CNC1=[NH+]CCCN1)Oc1ccc(Br)cc1 ZINC000262699906 145300566 /nfs/dbraw/zinc/30/05/66/145300566.db2.gz YPEMLIAIJNGREJ-JTQLQIEISA-N 1 0 312.211 2.155 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCC(=O)c1ccc(F)cc1F ZINC000262722757 145301865 /nfs/dbraw/zinc/30/18/65/145301865.db2.gz GFXIVDXGRXGAIC-HZMBPMFUSA-N 1 0 310.344 2.042 10 0 DEAERO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]1c1ccco1 ZINC000262729735 145301976 /nfs/dbraw/zinc/30/19/76/145301976.db2.gz HWASZVRUAZYMTQ-DZGCQCFKSA-N 1 0 314.389 2.378 10 0 DEAERO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1cccc2ccccc21 ZINC000262735804 145302602 /nfs/dbraw/zinc/30/26/02/145302602.db2.gz AGXFQEDCIROSAE-QWHCGFSZSA-N 1 0 304.415 2.211 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(Cl)cc1F ZINC000262787401 145304730 /nfs/dbraw/zinc/30/47/30/145304730.db2.gz QRIYRDBKKLOHQM-BXKDBHETSA-N 1 0 320.817 2.064 10 0 DEAERO [NH3+]C[C@@H](NS(=O)(=O)CC1CC1)c1ccc2ccccc2c1 ZINC000262802356 145305909 /nfs/dbraw/zinc/30/59/09/145305909.db2.gz RESOBGAHRRAZCY-MRXNPFEDSA-N 1 0 304.415 2.169 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CC[NH2+]1 ZINC000262932366 145312345 /nfs/dbraw/zinc/31/23/45/145312345.db2.gz SWTMMHPDSFYUDV-AAEUAGOBSA-N 1 0 318.808 2.396 10 0 DEAERO O=C(CCC1CC[NH2+]CC1)NCc1cc(F)cc2c1OCOC2 ZINC000263103952 145325745 /nfs/dbraw/zinc/32/57/45/145325745.db2.gz ZSRPWCOILFJWCN-UHFFFAOYSA-N 1 0 322.380 2.088 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccccc2Br)n1 ZINC000263112083 145326496 /nfs/dbraw/zinc/32/64/96/145326496.db2.gz AJEWSSHVWDPGGZ-LLVKDONJSA-N 1 0 323.194 2.075 10 0 DEAERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC1=[NH+]CCCN1)O[C@@H](C)C2 ZINC000263161804 145330959 /nfs/dbraw/zinc/33/09/59/145330959.db2.gz OYFANDHFXHNUEB-WHOFXGATSA-N 1 0 315.417 2.204 10 0 DEAERO Cc1ccc(C(C)(C)c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263169253 145331683 /nfs/dbraw/zinc/33/16/83/145331683.db2.gz FNYMMRQFANEVKQ-CQSZACIVSA-N 1 0 300.406 2.280 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2c[nH]cc2-c2ccccc2)n1 ZINC000263164862 145331835 /nfs/dbraw/zinc/33/18/35/145331835.db2.gz FDDJGSQQLQEPBG-HNNXBMFYSA-N 1 0 309.373 2.308 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2csc(-c3ccoc3)n2)n1 ZINC000263191477 145334236 /nfs/dbraw/zinc/33/42/36/145334236.db2.gz HXOQEXWVUQRZSA-NSHDSACASA-N 1 0 317.374 2.029 10 0 DEAERO C[C@@H](Cc1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccc(F)cc1 ZINC000263222204 145337814 /nfs/dbraw/zinc/33/78/14/145337814.db2.gz MCHSZQIDWKMCDH-FZMZJTMJSA-N 1 0 304.369 2.131 10 0 DEAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000332733608 145386918 /nfs/dbraw/zinc/38/69/18/145386918.db2.gz PKXAXEUJYRHQCC-GJZGRUSLSA-N 1 0 323.481 2.062 10 0 DEAERO C[C@@H]1CN(Cc2ncc(Br)s2)C[C@@H]1[NH+](C)C ZINC000349282325 146365438 /nfs/dbraw/zinc/36/54/38/146365438.db2.gz PUBCEIQSMUZQMX-BDAKNGLRSA-N 1 0 304.257 2.288 10 0 DEAERO Cc1cc2cc(CNC(=O)NCCNc3cc[nH+]cc3)ccc2[nH]1 ZINC000358412004 147128446 /nfs/dbraw/zinc/12/84/46/147128446.db2.gz MRTJYTBYEKVQEC-UHFFFAOYSA-N 1 0 323.400 2.205 10 0 DEAERO CCN(Cc1ccncc1)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358646676 147172372 /nfs/dbraw/zinc/17/23/72/147172372.db2.gz JJPYQZACSGWZET-UHFFFAOYSA-N 1 0 302.422 2.265 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3C[C@@H](C)[NH+](C)[C@H](C)C3)cc2)c1 ZINC000358686033 147180951 /nfs/dbraw/zinc/18/09/51/147180951.db2.gz SIWDSXGAOFMZMB-HUUCEWRRSA-N 1 0 312.417 2.345 10 0 DEAERO C[C@@H](Cn1nnc(-c2ccc(Br)cc2)n1)[NH+](C)C ZINC000358853989 147219269 /nfs/dbraw/zinc/21/92/69/147219269.db2.gz NVQGCUOJMGWFJJ-VIFPVBQESA-N 1 0 310.199 2.053 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)NC[C@](C)(O)C2CCCCC2)CC[N@@H+]1C ZINC000358924188 147232548 /nfs/dbraw/zinc/23/25/48/147232548.db2.gz DCCSANPGIXERQH-KMFMINBZSA-N 1 0 311.470 2.100 10 0 DEAERO CO[C@H](C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000359530579 147344949 /nfs/dbraw/zinc/34/49/49/147344949.db2.gz QZYBFHWKWQZYAP-LSDHHAIUSA-N 1 0 304.434 2.438 10 0 DEAERO C[C@@H](c1cccnc1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000371488520 148109263 /nfs/dbraw/zinc/10/92/63/148109263.db2.gz QWIRHJUFRISKQP-AWEZNQCLSA-N 1 0 300.406 2.211 10 0 DEAERO C[C@@H]1CCOCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000375003378 148314684 /nfs/dbraw/zinc/31/46/84/148314684.db2.gz JKFYSGWNALAFFZ-LLVKDONJSA-N 1 0 317.345 2.076 10 0 DEAERO CCOCC[N@@H+]1CCN([C@@H](CC(C)C)C(=O)OCC)C[C@@H]1C ZINC000182138034 286090277 /nfs/dbraw/zinc/09/02/77/286090277.db2.gz KAMJNNCFEHPMCY-HOTGVXAUSA-N 1 0 314.470 2.007 10 0 DEAERO CC(C)CC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C(C)(C)C ZINC000127132189 401721506 /nfs/dbraw/zinc/72/15/06/401721506.db2.gz YZVYENJQUSOWRT-YOEHRIQHSA-N 1 0 315.502 2.449 10 0 DEAERO C[C@@H](C(=O)N(C)C)[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111696909 401721553 /nfs/dbraw/zinc/72/15/53/401721553.db2.gz NXJALIXQXUBTES-HNNXBMFYSA-N 1 0 315.461 2.238 10 0 DEAERO Brc1cnc(NCCC[NH2+]Cc2cccnc2)nc1 ZINC000111751188 401722757 /nfs/dbraw/zinc/72/27/57/401722757.db2.gz JRARFOPVOKYUTQ-UHFFFAOYSA-N 1 0 322.210 2.226 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2C[C@@H](C)O[C@H](CC)C2)CC1 ZINC000111847417 401726055 /nfs/dbraw/zinc/72/60/55/401726055.db2.gz XLEHRCWEPRCGLN-GDBMZVCRSA-N 1 0 311.470 2.317 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2c1cccc2C ZINC000111865111 401726445 /nfs/dbraw/zinc/72/64/45/401726445.db2.gz XCINHWROYQLGEE-HNNXBMFYSA-N 1 0 317.433 2.178 10 0 DEAERO C[C@@H](CNC(=O)N(C)C[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000111875817 401726847 /nfs/dbraw/zinc/72/68/47/401726847.db2.gz DYWWVGHMCMHJDF-RDJZCZTQSA-N 1 0 319.449 2.327 10 0 DEAERO [NH3+]C1(C(=O)Nc2cc(Br)ccc2F)CCOCC1 ZINC000127752339 401748757 /nfs/dbraw/zinc/74/87/57/401748757.db2.gz XIUVRGYNULTOAM-UHFFFAOYSA-N 1 0 317.158 2.035 10 0 DEAERO CC(C)C[C@H](C)S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000074370045 401737038 /nfs/dbraw/zinc/73/70/38/401737038.db2.gz FXLNARXQJUMJAH-LSDHHAIUSA-N 1 0 302.484 2.311 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)NCC1CC[NH+](C)CC1 ZINC000127534173 401738957 /nfs/dbraw/zinc/73/89/57/401738957.db2.gz MCBDCBOXTUDLTA-UHFFFAOYSA-N 1 0 320.481 2.156 10 0 DEAERO CC[C@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccncc1 ZINC000074470119 401739845 /nfs/dbraw/zinc/73/98/45/401739845.db2.gz YLUOQSBIFJUHER-INIZCTEOSA-N 1 0 302.422 2.412 10 0 DEAERO COc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)C(C)(C)C)CC2)c1 ZINC000112460807 401746667 /nfs/dbraw/zinc/74/66/67/401746667.db2.gz GHPGJGVYMFKZOD-CYBMUJFWSA-N 1 0 320.437 2.356 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)C1CCC(CO)CC1 ZINC000126425938 401693857 /nfs/dbraw/zinc/69/38/57/401693857.db2.gz SDNWEHGEFSRXTH-HWOWSKLDSA-N 1 0 313.486 2.155 10 0 DEAERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1)[NH+](C)C ZINC000126545874 401699377 /nfs/dbraw/zinc/69/93/77/401699377.db2.gz IGQUVRAVARLAIC-BBRMVZONSA-N 1 0 315.421 2.175 10 0 DEAERO CCc1nc(CN2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000111212993 401701460 /nfs/dbraw/zinc/70/14/60/401701460.db2.gz GGPYHGWXFMGAJU-ZDUSSCGKSA-N 1 0 301.394 2.269 10 0 DEAERO Nc1c(Cl)cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000126644179 401703146 /nfs/dbraw/zinc/70/31/46/401703146.db2.gz JQZISKUVMKEIGV-JTQLQIEISA-N 1 0 314.216 2.496 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000126731911 401706271 /nfs/dbraw/zinc/70/62/71/401706271.db2.gz KWOCMUOAFTUUGF-GDBMZVCRSA-N 1 0 323.437 2.339 10 0 DEAERO COc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000114475420 401801262 /nfs/dbraw/zinc/80/12/62/401801262.db2.gz UQXRMEWGHGWLKB-LLVKDONJSA-N 1 0 307.394 2.368 10 0 DEAERO Cc1ncc(C[NH2+]CC[C@@H](C)[S@@](C)=O)n1-c1ccccc1 ZINC000129318096 401802431 /nfs/dbraw/zinc/80/24/31/401802431.db2.gz GMESAEGRBBTVBC-ASSNKEHSSA-N 1 0 305.447 2.427 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000129302787 401802449 /nfs/dbraw/zinc/80/24/49/401802449.db2.gz WTMKTTJKEJNTIO-ZFWWWQNUSA-N 1 0 303.406 2.103 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114526804 401802939 /nfs/dbraw/zinc/80/29/39/401802939.db2.gz IXIOUYLZXXQZQW-QGZVFWFLSA-N 1 0 309.454 2.097 10 0 DEAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114564015 401803432 /nfs/dbraw/zinc/80/34/32/401803432.db2.gz PXPDKACIGATRRQ-BZSNNMDCSA-N 1 0 309.450 2.365 10 0 DEAERO C[C@@H](CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)[S@](C)=O ZINC000129384258 401803579 /nfs/dbraw/zinc/80/35/79/401803579.db2.gz AEPYPICSRUVAPJ-WVDJIFEKSA-N 1 0 317.838 2.358 10 0 DEAERO O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000077161596 401804929 /nfs/dbraw/zinc/80/49/29/401804929.db2.gz YGFIXLMEYISQBU-KSZLIROESA-N 1 0 316.445 2.318 10 0 DEAERO FC(F)(F)COCCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000077286584 401808996 /nfs/dbraw/zinc/80/89/96/401808996.db2.gz YDRHPOJDLMWJMP-CQSZACIVSA-N 1 0 324.387 2.142 10 0 DEAERO CCCn1cc(CN2CCC[N@H+](CC3CCOCC3)CC2)cn1 ZINC000112697871 401754531 /nfs/dbraw/zinc/75/45/31/401754531.db2.gz PDIPRXLKRHANMU-UHFFFAOYSA-N 1 0 320.481 2.227 10 0 DEAERO Cc1cccc(-c2n[nH]cc2CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000128154234 401765282 /nfs/dbraw/zinc/76/52/82/401765282.db2.gz HQMANQVAUNKNGD-KRWDZBQOSA-N 1 0 314.433 2.148 10 0 DEAERO CCCc1noc(CCCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000113229988 401772020 /nfs/dbraw/zinc/77/20/20/401772020.db2.gz HJJIVJDWZQKLPW-KBPBESRZSA-N 1 0 320.437 2.040 10 0 DEAERO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+]([C@@H]2CCCCNC2=O)C1 ZINC000011165752 401773709 /nfs/dbraw/zinc/77/37/09/401773709.db2.gz AUUMVKPVEAHHES-GOEBONIOSA-N 1 0 315.417 2.006 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccccc2)n1C ZINC000113269616 401773969 /nfs/dbraw/zinc/77/39/69/401773969.db2.gz FTPKVMJJEQCIJH-GDBMZVCRSA-N 1 0 311.433 2.151 10 0 DEAERO COC(=O)c1cc(F)ccc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113270680 401774019 /nfs/dbraw/zinc/77/40/19/401774019.db2.gz QCNFLFJWYHDIDU-IUODEOHRSA-N 1 0 306.381 2.281 10 0 DEAERO Cc1ccc(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)c1 ZINC000113271896 401774503 /nfs/dbraw/zinc/77/45/03/401774503.db2.gz LHMOQABAZBYWQR-HOTGVXAUSA-N 1 0 301.434 2.410 10 0 DEAERO COc1cc(C)cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1O ZINC000113444821 401779323 /nfs/dbraw/zinc/77/93/23/401779323.db2.gz VGHOAKQKZHPINU-QWHCGFSZSA-N 1 0 304.390 2.018 10 0 DEAERO Cc1onc(-c2ccccn2)c1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000128558149 401782656 /nfs/dbraw/zinc/78/26/56/401782656.db2.gz YZUIOZIUJZMKHH-OLZOCXBDSA-N 1 0 314.389 2.258 10 0 DEAERO Cn1c(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)nnc1C1CC1 ZINC000128785905 401792031 /nfs/dbraw/zinc/79/20/31/401792031.db2.gz UJAXRAMZNJLYEY-UONOGXRCSA-N 1 0 300.410 2.163 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000076489317 401796723 /nfs/dbraw/zinc/79/67/23/401796723.db2.gz SQIQRJIZNYMYEJ-CXAGYDPISA-N 1 0 317.433 2.447 10 0 DEAERO COc1ccc2c(c1)CCN2C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000130312643 401827163 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Cc1noc(C)c1[C@@H](C)CC(=O)NCCCC[NH+]1CCOCC1 ZINC000130909745 401841146 /nfs/dbraw/zinc/84/11/46/401841146.db2.gz LGSVFELFBYUKPA-ZDUSSCGKSA-N 1 0 323.437 2.014 10 0 DEAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000028878375 401853077 /nfs/dbraw/zinc/85/30/77/401853077.db2.gz ISTHJDCXWGCOAW-SFYZADRCSA-N 1 0 318.204 2.488 10 0 DEAERO c1ccc2c(c1)CCCN2CC[NH+]1CCN(c2cccnn2)CC1 ZINC000131702390 401855681 /nfs/dbraw/zinc/85/56/81/401855681.db2.gz ICETWGGICFOISD-UHFFFAOYSA-N 1 0 323.444 2.051 10 0 DEAERO O=C(c1cccc(-n2cccn2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000116634669 401855806 /nfs/dbraw/zinc/85/58/06/401855806.db2.gz BPDYJQWDDIATCI-QGZVFWFLSA-N 1 0 310.401 2.183 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)Cc2cccc(C)c2)C[C@H]1CC ZINC000116769844 401858878 /nfs/dbraw/zinc/85/88/78/401858878.db2.gz WSMOGZBDTVGBOE-GOSISDBHSA-N 1 0 318.461 2.497 10 0 DEAERO CC1(C)CCC[N@@H+]1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000077382691 401812634 /nfs/dbraw/zinc/81/26/34/401812634.db2.gz 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C[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccc(S(N)(=O)=O)cc1 ZINC000036954915 401909037 /nfs/dbraw/zinc/90/90/37/401909037.db2.gz CFYYGXNWYVVEQB-VXGBXAGGSA-N 1 0 305.403 2.141 10 0 DEAERO C[NH2+]CC(=O)Nc1ccc(I)cc1Cl ZINC000037045446 401909990 /nfs/dbraw/zinc/90/99/90/401909990.db2.gz LVEYNOCXQLCOJT-UHFFFAOYSA-N 1 0 324.549 2.103 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000037413422 401913424 /nfs/dbraw/zinc/91/34/24/401913424.db2.gz DKTOKVWOFZTCHM-NEPJUHHUSA-N 1 0 305.403 2.141 10 0 DEAERO C[C@](CO)([NH2+]C[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000038114610 401923198 /nfs/dbraw/zinc/92/31/98/401923198.db2.gz ORHDUHOOOVTKFM-ZIAGYGMSSA-N 1 0 314.223 2.425 10 0 DEAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)s1 ZINC000119068607 401923587 /nfs/dbraw/zinc/92/35/87/401923587.db2.gz KSQYNERZSHQQLD-LBPRGKRZSA-N 1 0 320.418 2.038 10 0 DEAERO COCCC1(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CCC1 ZINC000119452627 401951509 /nfs/dbraw/zinc/95/15/09/401951509.db2.gz OFVZVQPCJCJWNV-UHFFFAOYSA-N 1 0 323.481 2.463 10 0 DEAERO COCCOc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000119524566 401956636 /nfs/dbraw/zinc/95/66/36/401956636.db2.gz SGHAEXVIDBNPBH-MRXNPFEDSA-N 1 0 316.405 2.140 10 0 DEAERO CC(=O)CC[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000119676568 401962716 /nfs/dbraw/zinc/96/27/16/401962716.db2.gz UEESQGKLINOJFS-UHFFFAOYSA-N 1 0 308.447 2.098 10 0 DEAERO CC[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]1COc2ccccc2O1 ZINC000046704969 401971772 /nfs/dbraw/zinc/97/17/72/401971772.db2.gz DCORKMQWYRVKEN-LSDHHAIUSA-N 1 0 323.433 2.324 10 0 DEAERO C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000136968627 401977035 /nfs/dbraw/zinc/97/70/35/401977035.db2.gz ZUTWQXQXXWZFRH-HOCLYGCPSA-N 1 0 309.454 2.214 10 0 DEAERO CC(C)C[C@@H](C)NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000091889030 401998713 /nfs/dbraw/zinc/99/87/13/401998713.db2.gz OSLUCVNOGMFLAW-IAGOWNOFSA-N 1 0 324.513 2.233 10 0 DEAERO C[C@H]1C[C@H](C)CN(C(=O)CN2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000047971116 401991272 /nfs/dbraw/zinc/99/12/72/401991272.db2.gz KJZHYKQUAWHUQR-IRXDYDNUSA-N 1 0 321.509 2.299 10 0 DEAERO CC(C)N(CC(N)=O)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000120486718 401991602 /nfs/dbraw/zinc/99/16/02/401991602.db2.gz WLHQFJKTLINHQR-ZDUSSCGKSA-N 1 0 309.797 2.029 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H](c2nccc3[nH]ccc32)C1 ZINC000089220769 401938613 /nfs/dbraw/zinc/93/86/13/401938613.db2.gz VCNPCIVVKYWICT-RYUDHWBXSA-N 1 0 302.378 2.225 10 0 DEAERO COCc1nc(C)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000135656971 401949992 /nfs/dbraw/zinc/94/99/92/401949992.db2.gz GJUCSFOJYRZXBX-ZYHUDNBSSA-N 1 0 311.451 2.153 10 0 DEAERO COC[C@H](C)[NH2+]C[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000119432854 401950102 /nfs/dbraw/zinc/95/01/02/401950102.db2.gz SDZAYELTBTZGHS-UONOGXRCSA-N 1 0 308.422 2.155 10 0 DEAERO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000121028363 402011422 /nfs/dbraw/zinc/01/14/22/402011422.db2.gz WKRSWCSWQMTFKE-OAHLLOKOSA-N 1 0 324.490 2.195 10 0 DEAERO C[C@@H]([NH2+]CCc1ccsc1)c1cccc(S(N)(=O)=O)c1 ZINC000049153417 402013344 /nfs/dbraw/zinc/01/33/44/402013344.db2.gz GPQMXAAIMQQOGP-LLVKDONJSA-N 1 0 310.444 2.289 10 0 DEAERO COc1ccccc1/C=C/C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093664725 402018587 /nfs/dbraw/zinc/01/85/87/402018587.db2.gz ROUXVKOZFKLDMQ-YXMMZVCTSA-N 1 0 316.445 2.363 10 0 DEAERO C[NH2+][C@H](CCO)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000095075703 402024289 /nfs/dbraw/zinc/02/42/89/402024289.db2.gz PAHIEYCZCQNBIQ-HZPDHXFCSA-N 1 0 306.406 2.148 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CC(=O)NCCN1CCc2ccccc21 ZINC000051228064 402032862 /nfs/dbraw/zinc/03/28/62/402032862.db2.gz FDELSGKDXAXILJ-HNNXBMFYSA-N 1 0 301.434 2.040 10 0 DEAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCCSC)[C@H](C)C1 ZINC000121472912 402038575 /nfs/dbraw/zinc/03/85/75/402038575.db2.gz PQMUJLYSHPRAPL-HUUCEWRRSA-N 1 0 316.511 2.383 10 0 DEAERO C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)C[C@@H]1CCCO1 ZINC000052102711 402039085 /nfs/dbraw/zinc/03/90/85/402039085.db2.gz NIDHIEMLDJKAGS-AWEZNQCLSA-N 1 0 316.401 2.174 10 0 DEAERO Cc1cc2ncn(C[C@H](O)C[N@@H+](C)C[C@@H]3CCCO3)c2cc1C ZINC000052103363 402039488 /nfs/dbraw/zinc/03/94/88/402039488.db2.gz LBVVVBIGAGAEFM-CVEARBPZSA-N 1 0 317.433 2.125 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCCOc2ccccc2)C1 ZINC000052519358 402043131 /nfs/dbraw/zinc/04/31/31/402043131.db2.gz PRHXFDHUVJZEIB-HNNXBMFYSA-N 1 0 305.422 2.239 10 0 DEAERO CCOc1cccc(CNC(=O)N[C@H]2CCC[N@H+](CC)C2)c1 ZINC000052523998 402043549 /nfs/dbraw/zinc/04/35/49/402043549.db2.gz ZYTAJJKEYRAROS-HNNXBMFYSA-N 1 0 305.422 2.369 10 0 DEAERO COc1cccc(C[C@@H]([NH2+]C[C@]2(CCO)CCOC2)C2CC2)c1 ZINC000121557275 402043874 /nfs/dbraw/zinc/04/38/74/402043874.db2.gz RNXRKPAQOXEXCX-MOPGFXCFSA-N 1 0 319.445 2.395 10 0 DEAERO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000121626571 402046903 /nfs/dbraw/zinc/04/69/03/402046903.db2.gz IFEJKSIAGVFWEY-IAGOWNOFSA-N 1 0 308.466 2.166 10 0 DEAERO O[C@@H](COCc1ccco1)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000121826141 402054324 /nfs/dbraw/zinc/05/43/24/402054324.db2.gz MQHSADRALMVEME-GDBMZVCRSA-N 1 0 305.378 2.107 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(NC(C)=O)cc1 ZINC000048443859 402000727 /nfs/dbraw/zinc/00/07/27/402000727.db2.gz YXJFVCWCASPOIJ-ZDUSSCGKSA-N 1 0 320.437 2.175 10 0 DEAERO O=c1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc2ccccn12 ZINC000150892101 402003373 /nfs/dbraw/zinc/00/33/73/402003373.db2.gz UHCODCZWFOTTEP-OAHLLOKOSA-N 1 0 312.417 2.149 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000092329765 402003538 /nfs/dbraw/zinc/00/35/38/402003538.db2.gz FUQRRJZYHWRYQD-BFHYXJOUSA-N 1 0 305.426 2.129 10 0 DEAERO COCC[N@@H+]1CCN(C/C=C/c2ccccc2OC)C[C@H]1C ZINC000120820334 402003615 /nfs/dbraw/zinc/00/36/15/402003615.db2.gz WZSYZNHXOFJEDF-IQIBNGDESA-N 1 0 304.434 2.361 10 0 DEAERO COC[C@H](C)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092515700 402005121 /nfs/dbraw/zinc/00/51/21/402005121.db2.gz UJHGUPKWOIPJOY-HNNXBMFYSA-N 1 0 319.449 2.429 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)C2CCCC2)CCO1 ZINC000152009954 402070793 /nfs/dbraw/zinc/07/07/93/402070793.db2.gz CQXKOIGQCITQFR-OAHLLOKOSA-N 1 0 311.470 2.175 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CCc1nccs1 ZINC000122437025 402078134 /nfs/dbraw/zinc/07/81/34/402078134.db2.gz JRIAMAYBTLCTFI-ZDUSSCGKSA-N 1 0 312.483 2.303 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000122610442 402087097 /nfs/dbraw/zinc/08/70/97/402087097.db2.gz OXLUVGLOMPQLRP-JKSUJKDBSA-N 1 0 306.454 2.298 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC(C)(C)CO ZINC000122746556 402093011 /nfs/dbraw/zinc/09/30/11/402093011.db2.gz OFUWMHIXVHGSCM-HUUCEWRRSA-N 1 0 311.470 2.053 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3nccnc32)CC[N@@H+]1C ZINC000122754682 402093016 /nfs/dbraw/zinc/09/30/16/402093016.db2.gz SARKSJBCRGFBHO-YPMHNXCESA-N 1 0 316.380 2.324 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000152390776 402094331 /nfs/dbraw/zinc/09/43/31/402094331.db2.gz LQQFMKYKLGLPNK-XLMAVXFVSA-N 1 0 323.481 2.052 10 0 DEAERO COc1ccc2oc(C[NH2+]C[C@H](C)N3CCOCC3)cc2c1 ZINC000123053139 402107921 /nfs/dbraw/zinc/10/79/21/402107921.db2.gz YEASJSPNRPSYNO-ZDUSSCGKSA-N 1 0 304.390 2.252 10 0 DEAERO O=C(c1ccc(Br)cn1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062103246 402109754 /nfs/dbraw/zinc/10/97/54/402109754.db2.gz VRQMLBOWJAWLFD-GFCCVEGCSA-N 1 0 324.222 2.154 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123146148 402113703 /nfs/dbraw/zinc/11/37/03/402113703.db2.gz WCSAJCRNVBGWRY-NVXWUHKLSA-N 1 0 303.450 2.060 10 0 DEAERO CCOC[C@@H]1CCCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000073203343 286148734 /nfs/dbraw/zinc/14/87/34/286148734.db2.gz ALICMFHHAIKYAD-CVEARBPZSA-N 1 0 313.486 2.421 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(N(C)C)cc2F)[C@@H](C)C1 ZINC000122137212 402062977 /nfs/dbraw/zinc/06/29/77/402062977.db2.gz ZIAMDDISNFUSFB-LRDDRELGSA-N 1 0 307.413 2.350 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308128 402066108 /nfs/dbraw/zinc/06/61/08/402066108.db2.gz NTLQEBJXZJDVJZ-SNVBAGLBSA-N 1 0 315.211 2.390 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2cccc(OC)c2)[C@H](C)C1 ZINC000122202641 402066354 /nfs/dbraw/zinc/06/63/54/402066354.db2.gz QTRAUHHMDZAYCF-PBHICJAKSA-N 1 0 320.433 2.263 10 0 DEAERO CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1c(C)noc1C ZINC000123370300 402124545 /nfs/dbraw/zinc/12/45/45/402124545.db2.gz LXFQHULINMYVCL-CABCVRRESA-N 1 0 318.421 2.398 10 0 DEAERO CC[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000123420965 402127037 /nfs/dbraw/zinc/12/70/37/402127037.db2.gz QODVNMAEKBWJMB-QGZVFWFLSA-N 1 0 305.422 2.202 10 0 DEAERO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](O)C(C)C ZINC000153109716 402127313 /nfs/dbraw/zinc/12/73/13/402127313.db2.gz FVJBBIMRQKHDKS-KRWDZBQOSA-N 1 0 321.465 2.345 10 0 DEAERO COc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c(O)c1 ZINC000123493537 402130613 /nfs/dbraw/zinc/13/06/13/402130613.db2.gz ALDZAKXAZJDIJV-MRXNPFEDSA-N 1 0 314.385 2.434 10 0 DEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123491791 402130671 /nfs/dbraw/zinc/13/06/71/402130671.db2.gz DEBUBZZHGKKAFG-RDTXWAMCSA-N 1 0 304.434 2.383 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(C/C=C/c2ccccc2OC)CC1 ZINC000123553741 402134541 /nfs/dbraw/zinc/13/45/41/402134541.db2.gz FJOKTHNIZFOPJW-DBWMJRBXSA-N 1 0 304.434 2.097 10 0 DEAERO C[C@H](C(=O)NCCc1cc(F)ccc1F)N1CCSCC1 ZINC000153267700 402135842 /nfs/dbraw/zinc/13/58/42/402135842.db2.gz WVVFHKVZDJIREF-LLVKDONJSA-N 1 0 314.401 2.061 10 0 DEAERO CC[C@@H]1CN(CC[NH+]2CCC(C)CC2)CCN1CC(F)F ZINC000153330932 402139606 /nfs/dbraw/zinc/13/96/06/402139606.db2.gz HCJPINNBQFXTJS-OAHLLOKOSA-N 1 0 303.441 2.380 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000123673437 402140822 /nfs/dbraw/zinc/14/08/22/402140822.db2.gz FSNDEOQXYLAUMP-YGRLFVJLSA-N 1 0 305.422 2.389 10 0 DEAERO CC[C@](C)(O)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000123349165 402123243 /nfs/dbraw/zinc/12/32/43/402123243.db2.gz AQVSVVOXOZLHGK-KRWDZBQOSA-N 1 0 308.397 2.135 10 0 DEAERO CCC[C@@H](C(=O)N1CCC[C@H](c2nncn2C2CC2)C1)[NH+](C)C ZINC000153482650 402148124 /nfs/dbraw/zinc/14/81/24/402148124.db2.gz LERCNROIMOJKPA-ZFWWWQNUSA-N 1 0 319.453 2.049 10 0 DEAERO Cc1cccc(CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000123826283 402148566 /nfs/dbraw/zinc/14/85/66/402148566.db2.gz VLUIQQFZRSAFCR-HNNXBMFYSA-N 1 0 304.438 2.454 10 0 DEAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000101563979 402149032 /nfs/dbraw/zinc/14/90/32/402149032.db2.gz ULPHNPVWFYBREA-CVEARBPZSA-N 1 0 308.397 2.240 10 0 DEAERO COc1cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)ccc1F ZINC000153529168 402151168 /nfs/dbraw/zinc/15/11/68/402151168.db2.gz HGORAFGGDJLJBG-MFKMUULPSA-N 1 0 304.369 2.400 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)Cc2noc3ccccc32)CC[N@@H+]1C ZINC000124465828 402181093 /nfs/dbraw/zinc/18/10/93/402181093.db2.gz NILYDXHGEHLFCA-CHWSQXEVSA-N 1 0 301.390 2.311 10 0 DEAERO CCC[C@@H](C(=O)N[C@H]1CCN(c2ncccc2Cl)C1)[NH+](C)C ZINC000154081163 402191713 /nfs/dbraw/zinc/19/17/13/402191713.db2.gz VQQOQOIUSCWUPJ-JSGCOSHPSA-N 1 0 324.856 2.160 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc(C(F)(F)F)cs1 ZINC000154146658 402195502 /nfs/dbraw/zinc/19/55/02/402195502.db2.gz LWYMQSRWRKOPQQ-QMMMGPOBSA-N 1 0 322.356 2.055 10 0 DEAERO COc1ccc([C@@H](CNC2=[NH+]CCCN2)N2CCCCC2)cc1 ZINC000068467055 402198791 /nfs/dbraw/zinc/19/87/91/402198791.db2.gz MXHUBXOLNDIKLS-QGZVFWFLSA-N 1 0 316.449 2.161 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC2(C)Cc3ccccc3C2)C1 ZINC000124835408 402199930 /nfs/dbraw/zinc/19/99/30/402199930.db2.gz LKPZWOXJWXYGFW-MRXNPFEDSA-N 1 0 301.434 2.327 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000124123471 402165149 /nfs/dbraw/zinc/16/51/49/402165149.db2.gz LEIAKTPPTCAUOW-LBPRGKRZSA-N 1 0 321.812 2.247 10 0 DEAERO C[C@H]1CC[C@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)O1 ZINC000124288998 402173430 /nfs/dbraw/zinc/17/34/30/402173430.db2.gz VAAPPLFUVHKLBC-WMLDXEAASA-N 1 0 302.418 2.466 10 0 DEAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCO2)C1 ZINC000102904714 402174213 /nfs/dbraw/zinc/17/42/13/402174213.db2.gz XQTWEOOCDPDBIC-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000102903628 402174400 /nfs/dbraw/zinc/17/44/00/402174400.db2.gz JILAIDFAEAFKCA-INIZCTEOSA-N 1 0 305.422 2.069 10 0 DEAERO C[C@@H](NC(=O)N(C)CC[NH+](C)C)c1ccccc1-n1cccn1 ZINC000154532548 402217012 /nfs/dbraw/zinc/21/70/12/402217012.db2.gz QPSWEQNSUQMHKB-CQSZACIVSA-N 1 0 315.421 2.136 10 0 DEAERO COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cc1OC ZINC000154569124 402218599 /nfs/dbraw/zinc/21/85/99/402218599.db2.gz DMIJXJSEBRXVKY-ZBFHGGJFSA-N 1 0 322.449 2.465 10 0 DEAERO CC(C)COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000106911503 402221937 /nfs/dbraw/zinc/22/19/37/402221937.db2.gz DBMGRZMCOVVTRC-INIZCTEOSA-N 1 0 304.434 2.474 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)O1 ZINC000154622225 402221978 /nfs/dbraw/zinc/22/19/78/402221978.db2.gz LPNGGWKXPUUQEC-CJNGLKHVSA-N 1 0 306.406 2.270 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000106912615 402222555 /nfs/dbraw/zinc/22/25/55/402222555.db2.gz NMKPPBGNKMSQBQ-SJORKVTESA-N 1 0 310.397 2.409 10 0 DEAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000107221845 402228189 /nfs/dbraw/zinc/22/81/89/402228189.db2.gz ROHGQADFKANMEY-SECBINFHSA-N 1 0 323.245 2.318 10 0 DEAERO COc1ccccc1C[C@H](C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000107246903 402228515 /nfs/dbraw/zinc/22/85/15/402228515.db2.gz MOESILUBBVKFAJ-GOEBONIOSA-N 1 0 304.434 2.426 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)c2coc(Br)c2)C1 ZINC000108334278 402250850 /nfs/dbraw/zinc/25/08/50/402250850.db2.gz IIBYOSRXWLQAMW-SECBINFHSA-N 1 0 301.184 2.114 10 0 DEAERO CCCOc1ccc(OCCN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000155299958 402251813 /nfs/dbraw/zinc/25/18/13/402251813.db2.gz IWFRMVTWFMLJGM-GOSISDBHSA-N 1 0 322.449 2.117 10 0 DEAERO CCCN(C[C@H]1CCCCO1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108590352 402258010 /nfs/dbraw/zinc/25/80/10/402258010.db2.gz KTQLUNPRWJSTSK-JKSUJKDBSA-N 1 0 311.470 2.319 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CCCC1 ZINC000070306963 402259568 /nfs/dbraw/zinc/25/95/68/402259568.db2.gz JHFOPYFNAOHWKT-LRDDRELGSA-N 1 0 311.447 2.292 10 0 DEAERO c1ccc(-c2cc(N3CC[NH2+]CC3)nc(-c3cccnc3)n2)nc1 ZINC000070451645 402260417 /nfs/dbraw/zinc/26/04/17/402260417.db2.gz CXYKHRYIGYRAGX-UHFFFAOYSA-N 1 0 318.384 2.010 10 0 DEAERO CC(=O)N[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC000068903540 402208592 /nfs/dbraw/zinc/20/85/92/402208592.db2.gz BODDNBONDPUTAG-QGZVFWFLSA-N 1 0 323.481 2.062 10 0 DEAERO CCCCCNC(=O)[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886831 402210557 /nfs/dbraw/zinc/21/05/57/402210557.db2.gz WWCANVVOARUOET-OAHLLOKOSA-N 1 0 306.454 2.290 10 0 DEAERO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000105933464 402211516 /nfs/dbraw/zinc/21/15/16/402211516.db2.gz HOZANNGVRXFZIY-CABCVRRESA-N 1 0 319.449 2.057 10 0 DEAERO Fc1cc(C[NH2+]Cc2ccsc2)cnc1N1CCOCC1 ZINC000185076815 402322490 /nfs/dbraw/zinc/32/24/90/402322490.db2.gz SIHOQJFOFMUYLV-UHFFFAOYSA-N 1 0 307.394 2.409 10 0 DEAERO Cc1[nH]ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000176606141 402322734 /nfs/dbraw/zinc/32/27/34/402322734.db2.gz SAQZDVFMGHPMAU-GUYCJALGSA-N 1 0 312.417 2.359 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Br)ccc2F)C1 ZINC000071139982 402270405 /nfs/dbraw/zinc/27/04/05/402270405.db2.gz POLISWKHPVGUKY-JTQLQIEISA-N 1 0 315.186 2.364 10 0 DEAERO CCn1nccc1CC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000225787110 402323866 /nfs/dbraw/zinc/32/38/66/402323866.db2.gz NWPKKTRWXIBBBQ-IAGOWNOFSA-N 1 0 303.381 2.393 10 0 DEAERO Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000071797247 402279227 /nfs/dbraw/zinc/27/92/27/402279227.db2.gz BFFORYKVJMKNPV-SJLPKXTDSA-N 1 0 315.417 2.305 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C)c(F)c1 ZINC000110085527 402281091 /nfs/dbraw/zinc/28/10/91/402281091.db2.gz RSQNCFWXLZAYES-CQSZACIVSA-N 1 0 309.385 2.366 10 0 DEAERO COc1cccc([C@@H]2CN(C(C)C)C(=O)[C@]23CCC[NH2+]C3)c1 ZINC000216088855 402287170 /nfs/dbraw/zinc/28/71/70/402287170.db2.gz XKUQOXAVNQREJU-WMZOPIPTSA-N 1 0 302.418 2.399 10 0 DEAERO CCc1cccc(CC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)c1 ZINC000157074479 402291260 /nfs/dbraw/zinc/29/12/60/402291260.db2.gz YJDZUSCJCTUDRH-QAPCUYQASA-N 1 0 318.461 2.095 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](COC)c1ccccc1 ZINC000176311030 402299059 /nfs/dbraw/zinc/29/90/59/402299059.db2.gz KOQKWWQUYONUTH-IRXDYDNUSA-N 1 0 319.449 2.500 10 0 DEAERO CCOC(C[NH+]1CCC(c2nnc3ccccn32)CC1)OCC ZINC000184970196 402313605 /nfs/dbraw/zinc/31/36/05/402313605.db2.gz GQPXVLZGINGRSO-UHFFFAOYSA-N 1 0 318.421 2.308 10 0 DEAERO CC[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Oc1cccc(C)c1 ZINC000176841381 402341859 /nfs/dbraw/zinc/34/18/59/402341859.db2.gz DMJRWWCCRCLJGH-HOTGVXAUSA-N 1 0 319.449 2.498 10 0 DEAERO COC[C@H](NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000176850441 402343003 /nfs/dbraw/zinc/34/30/03/402343003.db2.gz ODJNCKQQFNQMGJ-PVAVHDDUSA-N 1 0 319.449 2.402 10 0 DEAERO COc1cc[nH+]c(N2CCN(C(=O)[C@@H](C)CC(C)C)CC2)c1 ZINC000185337356 402344383 /nfs/dbraw/zinc/34/43/83/402344383.db2.gz WRFIOGVNRQKKBT-AWEZNQCLSA-N 1 0 305.422 2.421 10 0 DEAERO Cc1c(C[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000229809431 402345217 /nfs/dbraw/zinc/34/52/17/402345217.db2.gz STZAGZOSGCAWPF-CQSZACIVSA-N 1 0 322.453 2.465 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)ccc1C ZINC000176889099 402347122 /nfs/dbraw/zinc/34/71/22/402347122.db2.gz LKAMDYHNRBTKGF-HNNXBMFYSA-N 1 0 317.433 2.185 10 0 DEAERO CCc1cccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000176922564 402350269 /nfs/dbraw/zinc/35/02/69/402350269.db2.gz SQUYKJDZJQQMFG-ZFWWWQNUSA-N 1 0 308.447 2.106 10 0 DEAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cccc(NC(N)=O)c1 ZINC000185434679 402351987 /nfs/dbraw/zinc/35/19/87/402351987.db2.gz RBMOARFKYFIPOR-ZDUSSCGKSA-N 1 0 318.421 2.172 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1nnc(C(C)C)o1 ZINC000176936086 402352546 /nfs/dbraw/zinc/35/25/46/402352546.db2.gz KILDHEYYUYSCJB-ZIAGYGMSSA-N 1 0 320.437 2.211 10 0 DEAERO COC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCCCC1 ZINC000185897414 402387654 /nfs/dbraw/zinc/38/76/54/402387654.db2.gz MKYRSROJPTURKX-HUUCEWRRSA-N 1 0 311.470 2.460 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCOc2ccccc21 ZINC000177003714 402358302 /nfs/dbraw/zinc/35/83/02/402358302.db2.gz INMBNWOTYLCQHK-GDBMZVCRSA-N 1 0 302.418 2.495 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000177011435 402359127 /nfs/dbraw/zinc/35/91/27/402359127.db2.gz KJIXORKUNAGTMH-OAHLLOKOSA-N 1 0 315.417 2.128 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(F)cc2nccnc21 ZINC000177013162 402359303 /nfs/dbraw/zinc/35/93/03/402359303.db2.gz RJZUMKVLHRYTHK-CYBMUJFWSA-N 1 0 316.380 2.325 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COc1cccc(OC)c1 ZINC000177010780 402359357 /nfs/dbraw/zinc/35/93/57/402359357.db2.gz VIZQEODSAWBFHW-AWEZNQCLSA-N 1 0 306.406 2.017 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)COc2ccc(F)cc2F)[C@@H](C)C1 ZINC000177065715 402366216 /nfs/dbraw/zinc/36/62/16/402366216.db2.gz OKHHBEKPWZNULA-FZMZJTMJSA-N 1 0 312.360 2.189 10 0 DEAERO C[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@@H]1COc2ccccc21 ZINC000185648268 402367084 /nfs/dbraw/zinc/36/70/84/402367084.db2.gz LPNUQLRPYGTNGS-PWSUYJOCSA-N 1 0 316.323 2.209 10 0 DEAERO C[C@H](c1ccccn1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000177151206 402375815 /nfs/dbraw/zinc/37/58/15/402375815.db2.gz RYOZZXYBFHETRT-SJORKVTESA-N 1 0 302.466 2.245 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000185800946 402378253 /nfs/dbraw/zinc/37/82/53/402378253.db2.gz YHYRSADGZQJXTK-CVEARBPZSA-N 1 0 313.486 2.299 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCOc1ccc(C)cc1 ZINC000177295606 402388756 /nfs/dbraw/zinc/38/87/56/402388756.db2.gz ZOGRAHNNSUBWTR-MRXNPFEDSA-N 1 0 319.449 2.500 10 0 DEAERO COc1ccc(F)cc1CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000185911325 402388808 /nfs/dbraw/zinc/38/88/08/402388808.db2.gz OJDNCUUSGQGHHX-HNNXBMFYSA-N 1 0 306.381 2.074 10 0 DEAERO COC(=O)C1CCC(C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185911609 402388923 /nfs/dbraw/zinc/38/89/23/402388923.db2.gz GPMVCZJPVDSWGM-UHFFFAOYSA-N 1 0 324.465 2.204 10 0 DEAERO CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000185211095 402334973 /nfs/dbraw/zinc/33/49/73/402334973.db2.gz VHNSPJYQZXAABU-HUUCEWRRSA-N 1 0 302.422 2.064 10 0 DEAERO C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000237121182 402396206 /nfs/dbraw/zinc/39/62/06/402396206.db2.gz QPBOTKFSFZXOFB-KRWDZBQOSA-N 1 0 319.424 2.001 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000186005026 402396562 /nfs/dbraw/zinc/39/65/62/402396562.db2.gz GWLKXUNNWPXBFD-HNNXBMFYSA-N 1 0 313.405 2.028 10 0 DEAERO Cc1ccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)s1 ZINC000186037446 402397651 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C[C@@H](NC(=O)[C@](C)([NH3+])c1ccccc1)c1ccc2c(c1)OCO2 ZINC000237465877 402409175 /nfs/dbraw/zinc/40/91/75/402409175.db2.gz LMRYCTBJIAMSMJ-KZULUSFZSA-N 1 0 312.369 2.467 10 0 DEAERO CC(C)C1(C)CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000186191973 402409246 /nfs/dbraw/zinc/40/92/46/402409246.db2.gz IJNNDODJIMIMQA-HNNXBMFYSA-N 1 0 316.511 2.416 10 0 DEAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C(C)(C)CC(N)=O)cc1 ZINC000186219188 402411925 /nfs/dbraw/zinc/41/19/25/402411925.db2.gz JCFUVXDGQWMASE-UHFFFAOYSA-N 1 0 306.406 2.386 10 0 DEAERO O[C@@H](C[NH+]1CCC(Cn2cncn2)CC1)c1cc(F)ccc1F ZINC000186218840 402412210 /nfs/dbraw/zinc/41/22/10/402412210.db2.gz KIYBBCVCOGQXII-INIZCTEOSA-N 1 0 322.359 2.002 10 0 DEAERO C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccccc1-n1cccn1 ZINC000237658530 402417098 /nfs/dbraw/zinc/41/70/98/402417098.db2.gz DWQPYWRRQTWZEG-IUODEOHRSA-N 1 0 300.406 2.423 10 0 DEAERO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)nc1 ZINC000237731991 402419668 /nfs/dbraw/zinc/41/96/68/402419668.db2.gz SYHVQDNKGVXTHH-JYJNAYRXSA-N 1 0 316.449 2.229 10 0 DEAERO Cc1cccc2[nH]cc(CCNC(=O)C[C@H]3CSCC[NH2+]3)c21 ZINC000237739924 402419714 /nfs/dbraw/zinc/41/97/14/402419714.db2.gz UJXHISYNWZDEKP-AWEZNQCLSA-N 1 0 317.458 2.230 10 0 DEAERO CCC[C@@H]1CN(c2ccnc(C3CC3)n2)CC[N@@H+]1CCOC ZINC000162478781 402421339 /nfs/dbraw/zinc/42/13/39/402421339.db2.gz GIGWWDALJZCNQD-OAHLLOKOSA-N 1 0 304.438 2.291 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000162540807 402423622 /nfs/dbraw/zinc/42/36/22/402423622.db2.gz UGLWPJVWCQBZRN-GVDBMIGSSA-N 1 0 302.418 2.243 10 0 DEAERO Cc1c(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cnn1C ZINC000162615922 402426385 /nfs/dbraw/zinc/42/63/85/402426385.db2.gz OPDFNECQZWLFJU-CQSZACIVSA-N 1 0 310.442 2.367 10 0 DEAERO [NH3+][C@@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C1CC1 ZINC000237967852 402429174 /nfs/dbraw/zinc/42/91/74/402429174.db2.gz SQZPMBOLYKAORD-KRWDZBQOSA-N 1 0 314.429 2.382 10 0 DEAERO [NH3+]CCCCCCC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000237996178 402430948 /nfs/dbraw/zinc/43/09/48/402430948.db2.gz SSBJMSKWUIBNFF-MRXNPFEDSA-N 1 0 323.481 2.193 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000162771257 402431162 /nfs/dbraw/zinc/43/11/62/402431162.db2.gz RZIQKDAREUAHDG-HNNXBMFYSA-N 1 0 315.421 2.178 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccnc(N3CCCCC3)c2)C1 ZINC000238018594 402432374 /nfs/dbraw/zinc/43/23/74/402432374.db2.gz VAATZUUPYJJHMB-CVEARBPZSA-N 1 0 316.449 2.206 10 0 DEAERO Cc1ccccc1CNC(=O)[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177773839 402434867 /nfs/dbraw/zinc/43/48/67/402434867.db2.gz VZVUHWLDLMMTDX-FUHWJXTLSA-N 1 0 315.461 2.170 10 0 DEAERO COc1ccccc1/C=C/C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186490655 402435856 /nfs/dbraw/zinc/43/58/56/402435856.db2.gz GNUWBJJAWWRYHB-SHQCLWGWSA-N 1 0 300.402 2.451 10 0 DEAERO O=C(C[C@@H]1OCCc2ccccc21)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186513203 402438132 /nfs/dbraw/zinc/43/81/32/402438132.db2.gz OVPOFAFAKNAZNQ-YJBOKZPZSA-N 1 0 314.429 2.434 10 0 DEAERO O=C(COc1ccccc1Cl)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186540872 402440174 /nfs/dbraw/zinc/44/01/74/402440174.db2.gz LXIUKXSRVHLLEO-GFCCVEGCSA-N 1 0 308.809 2.462 10 0 DEAERO CCc1cnc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000237011602 402390867 /nfs/dbraw/zinc/39/08/67/402390867.db2.gz FLKCWFQXBCXROX-XBFCOCLRSA-N 1 0 307.463 2.285 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)Cn1c(C)c(C)sc1=O ZINC000237060262 402393877 /nfs/dbraw/zinc/39/38/77/402393877.db2.gz ZBLWZOKQIKULOE-UHFFFAOYSA-N 1 0 319.430 2.275 10 0 DEAERO COc1ccc([C@@H](C)CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246108263 402510409 /nfs/dbraw/zinc/51/04/09/402510409.db2.gz BRGQQHPIHYECBT-HOCLYGCPSA-N 1 0 302.418 2.495 10 0 DEAERO CSCCCC[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000163709086 402455886 /nfs/dbraw/zinc/45/58/86/402455886.db2.gz LNVWLLHOZVQDKV-LLVKDONJSA-N 1 0 302.465 2.128 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(OC)c2)[C@@H](C)C1 ZINC000245412682 402458149 /nfs/dbraw/zinc/45/81/49/402458149.db2.gz AVDKHRUMLQZBEC-YOEHRIQHSA-N 1 0 319.449 2.296 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)NCc1ccccc1C ZINC000245463884 402463103 /nfs/dbraw/zinc/46/31/03/402463103.db2.gz HLTJSZOGULQDJK-AEFFLSMTSA-N 1 0 317.477 2.416 10 0 DEAERO CS(=O)(=O)CC[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178136898 402464379 /nfs/dbraw/zinc/46/43/79/402464379.db2.gz MEOIXVMBZGSOHI-AWEZNQCLSA-N 1 0 309.431 2.457 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186808151 402465814 /nfs/dbraw/zinc/46/58/14/402465814.db2.gz KNDLKVDIJXBLCM-HNNXBMFYSA-N 1 0 304.434 2.046 10 0 DEAERO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1 ZINC000245501476 402466489 /nfs/dbraw/zinc/46/64/89/402466489.db2.gz CVTBRJZVSRWBME-CZUORRHYSA-N 1 0 307.390 2.238 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C(=O)NC1CCCC1)CC2 ZINC000245500163 402466548 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C[N@@H+]1CC[C@H](NC(=O)NCc2cscn2)[C@H]1c1ccccc1 ZINC000245648760 402476761 /nfs/dbraw/zinc/47/67/61/402476761.db2.gz MFUGWOWUHVGXES-LSDHHAIUSA-N 1 0 316.430 2.388 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NCC2CCOCC2)[C@H]1c1ccccc1 ZINC000245656938 402477189 /nfs/dbraw/zinc/47/71/89/402477189.db2.gz OMPVQDHBBIBCHM-DLBZAZTESA-N 1 0 317.433 2.158 10 0 DEAERO Cc1nccn1CCCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245675992 402478372 /nfs/dbraw/zinc/47/83/72/402478372.db2.gz FWBNNTQIMUKUAH-HOCLYGCPSA-N 1 0 321.469 2.096 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC000178276126 402478613 /nfs/dbraw/zinc/47/86/13/402478613.db2.gz CIILHZPBHAXQHL-MRXNPFEDSA-N 1 0 304.434 2.440 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000245681495 402479190 /nfs/dbraw/zinc/47/91/90/402479190.db2.gz VJQGXCFAPMPSKQ-ZACQAIPSSA-N 1 0 317.433 2.252 10 0 DEAERO COc1ccc(O)cc1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000187061349 402480354 /nfs/dbraw/zinc/48/03/54/402480354.db2.gz 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C[C@H]([NH3+])CCC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000248840789 402610508 /nfs/dbraw/zinc/61/05/08/402610508.db2.gz FWVCWWWQYJHIBY-SOUVJXGZSA-N 1 0 319.449 2.362 10 0 DEAERO C[C@H]([NH3+])CCC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000248886411 402612791 /nfs/dbraw/zinc/61/27/91/402612791.db2.gz UQPCRZYNJHETRV-IHRRRGAJSA-N 1 0 305.422 2.366 10 0 DEAERO O=C(NCCC[NH+]1CCCCC1)c1ccc(-c2ncon2)cc1 ZINC000171734438 402616084 /nfs/dbraw/zinc/61/60/84/402616084.db2.gz XKDISRMVUGDMFU-UHFFFAOYSA-N 1 0 314.389 2.342 10 0 DEAERO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000171738467 402616858 /nfs/dbraw/zinc/61/68/58/402616858.db2.gz XOSSJWCTEQNFBG-MRXNPFEDSA-N 1 0 317.433 2.493 10 0 DEAERO COc1ccnc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1OC ZINC000248986370 402617088 /nfs/dbraw/zinc/61/70/88/402617088.db2.gz WWWDAOUSAXRMCC-GUYCJALGSA-N 1 0 306.406 2.226 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)C1 ZINC000180504840 402618429 /nfs/dbraw/zinc/61/84/29/402618429.db2.gz 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C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000263926769 402821656 /nfs/dbraw/zinc/82/16/56/402821656.db2.gz SBNBWZGJOOMNPL-INIZCTEOSA-N 1 0 315.417 2.201 10 0 DEAERO COc1cccc([C@@H](C)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000195048114 402828511 /nfs/dbraw/zinc/82/85/11/402828511.db2.gz HBBHEPVBVQLDHD-GDBMZVCRSA-N 1 0 302.418 2.495 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184240667 402829376 /nfs/dbraw/zinc/82/93/76/402829376.db2.gz OXFQYSITWJNGPJ-UHFFFAOYSA-N 1 0 306.454 2.455 10 0 DEAERO CCCCCS(=O)(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000184245339 402830109 /nfs/dbraw/zinc/83/01/09/402830109.db2.gz SARANZTWSAHSIR-MRXNPFEDSA-N 1 0 312.479 2.269 10 0 DEAERO O=C(c1ccc(-n2cccn2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195088759 402830982 /nfs/dbraw/zinc/83/09/82/402830982.db2.gz SQVGTXBOMDINQF-KRWDZBQOSA-N 1 0 310.401 2.183 10 0 DEAERO C[C@H](N(C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1(C)CC1 ZINC000175802655 402834145 /nfs/dbraw/zinc/83/41/45/402834145.db2.gz CHIKFJNLOMGEAO-AWEZNQCLSA-N 1 0 316.449 2.094 10 0 DEAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCc3cc(OC)ccc32)C1 ZINC000195155961 402834229 /nfs/dbraw/zinc/83/42/29/402834229.db2.gz QEBMPOVKCKZWCO-AWEZNQCLSA-N 1 0 317.433 2.499 10 0 DEAERO O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195252088 402838905 /nfs/dbraw/zinc/83/89/05/402838905.db2.gz YWQSQGMXIXVOJN-AYRXBEOTSA-N 1 0 324.346 2.487 10 0 DEAERO CNC(=O)[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)C)cc1)C(C)C ZINC000183675078 402787547 /nfs/dbraw/zinc/78/75/47/402787547.db2.gz CSKRBBRDAVFDQE-HNNXBMFYSA-N 1 0 306.406 2.112 10 0 DEAERO CNC(=O)[C@@H]([NH2+]Cc1ccc2oc(C(=O)OC)cc2c1)C(C)C ZINC000183671620 402787563 /nfs/dbraw/zinc/78/75/63/402787563.db2.gz VOIQRKBKBDWAIJ-HNNXBMFYSA-N 1 0 318.373 2.080 10 0 DEAERO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000176000515 402847088 /nfs/dbraw/zinc/84/70/88/402847088.db2.gz GCQISCUCFAOEFF-UHFFFAOYSA-N 1 0 321.446 2.380 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000176004932 402847218 /nfs/dbraw/zinc/84/72/18/402847218.db2.gz AKLMZVIBFXVDAK-ZIAGYGMSSA-N 1 0 305.422 2.424 10 0 DEAERO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(c3ccnn3C)CC2)C1 ZINC000195502955 402847617 /nfs/dbraw/zinc/84/76/17/402847617.db2.gz VJXNYZLKQAZDJV-HUUCEWRRSA-N 1 0 318.465 2.104 10 0 DEAERO CCn1cc(C2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)cn1 ZINC000195513143 402848858 /nfs/dbraw/zinc/84/88/58/402848858.db2.gz BIQGPXQUMQGZDB-INIZCTEOSA-N 1 0 309.454 2.258 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CCN2CCC[C@@H](C)C2)C12CCOCC2 ZINC000249052228 286281645 /nfs/dbraw/zinc/28/16/45/286281645.db2.gz WYGIOLCFJLXVCJ-BRWVUGGUSA-N 1 0 310.482 2.282 10 0 DEAERO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)NCc1ccccc1 ZINC000281310464 403063351 /nfs/dbraw/zinc/06/33/51/403063351.db2.gz HZQSIGBWJQPRFL-KURKYZTESA-N 1 0 316.445 2.318 10 0 DEAERO Cc1cc(C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)no1 ZINC000275220235 403100740 /nfs/dbraw/zinc/10/07/40/403100740.db2.gz CWIGCBQWRMXBJG-ZDUSSCGKSA-N 1 0 314.389 2.454 10 0 DEAERO Brc1cccc2c1OCC[C@H]2[NH2+]CCn1cncn1 ZINC000268795983 403114445 /nfs/dbraw/zinc/11/44/45/403114445.db2.gz DPGXPHMQZYQPSC-GFCCVEGCSA-N 1 0 323.194 2.154 10 0 DEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1sccc1Br ZINC000282216291 403133395 /nfs/dbraw/zinc/13/33/95/403133395.db2.gz DRRVARWJVQKOHF-APPZFPTMSA-N 1 0 303.225 2.267 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cscc1C ZINC000276093123 403145496 /nfs/dbraw/zinc/14/54/96/403145496.db2.gz FJTVQRADAKPABD-CHWSQXEVSA-N 1 0 321.446 2.080 10 0 DEAERO O=C(c1cscc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000285288321 403280274 /nfs/dbraw/zinc/28/02/74/403280274.db2.gz GDWKYUNVCOQMDN-SECBINFHSA-N 1 0 315.236 2.431 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000271266507 403283855 /nfs/dbraw/zinc/28/38/55/403283855.db2.gz NMMIMCIDCPRUIW-DZUCGIPZSA-N 1 0 317.433 2.299 10 0 DEAERO c1c(C[NH2+]CCc2nc3c(s2)CCCC3)nc2ncccn12 ZINC000298447884 403384629 /nfs/dbraw/zinc/38/46/29/403384629.db2.gz NUMHCICJMKXDED-UHFFFAOYSA-N 1 0 313.430 2.397 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C12CCCC2 ZINC000245498681 286353387 /nfs/dbraw/zinc/35/33/87/286353387.db2.gz WRDLWWKWPIGEDS-QLFBSQMISA-N 1 0 309.454 2.070 10 0 DEAERO c1ccc(-c2nc3c(c(N4CC[NH+](C5CC5)CC4)n2)CCC3)nc1 ZINC000301308653 403614778 /nfs/dbraw/zinc/61/47/78/403614778.db2.gz DAAJPPSAJYUSNX-UHFFFAOYSA-N 1 0 321.428 2.312 10 0 DEAERO CCC[C@@H]1C[C@@H]1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000332834366 403623021 /nfs/dbraw/zinc/62/30/21/403623021.db2.gz HINXMUQONVFYLE-BSWAZPDLSA-N 1 0 323.481 2.242 10 0 DEAERO c1cc(CCC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)ccn1 ZINC000347300830 403656030 /nfs/dbraw/zinc/65/60/30/403656030.db2.gz RJJBXTUPKUNMFG-GOSISDBHSA-N 1 0 303.450 2.201 10 0 DEAERO CN(C(=O)Nc1cccc2c1OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000333114447 403668846 /nfs/dbraw/zinc/66/88/46/403668846.db2.gz HBWMTQMTMHYEMH-GFCCVEGCSA-N 1 0 305.378 2.064 10 0 DEAERO COc1ccc(C)nc1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333119226 403670094 /nfs/dbraw/zinc/67/00/94/403670094.db2.gz HWLOKLOUVYFQGP-AWEZNQCLSA-N 1 0 318.421 2.395 10 0 DEAERO Cc1nn(C)c2sc([C@@H](C)[NH2+][C@@H]3CCC(=O)N(C)C3)cc12 ZINC000287876350 403684034 /nfs/dbraw/zinc/68/40/34/403684034.db2.gz YENXQPBUMPRYDX-GHMZBOCLSA-N 1 0 306.435 2.215 10 0 DEAERO C[C@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H](c2ccc(F)cc2)O1 ZINC000333660887 403806726 /nfs/dbraw/zinc/80/67/26/403806726.db2.gz LNTVDFULSDSPLZ-APHBMKBZSA-N 1 0 321.396 2.049 10 0 DEAERO C[C@H]([NH2+][C@H]1CCc2nnnn2CC1)c1nc2c(s1)CCCC2 ZINC000333681690 403813485 /nfs/dbraw/zinc/81/34/85/403813485.db2.gz FGNZGXYUKUVHEV-QWRGUYRKSA-N 1 0 318.450 2.064 10 0 DEAERO c1cc(CN2CCOCC2)ccc1C[NH2+]CC[C@H]1CCOC1 ZINC000347705176 403814930 /nfs/dbraw/zinc/81/49/30/403814930.db2.gz QGGNJSJGANBYDL-SFHVURJKSA-N 1 0 304.434 2.035 10 0 DEAERO COc1ccc2c(c1)C=C(C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C)CO2 ZINC000155309238 286387600 /nfs/dbraw/zinc/38/76/00/286387600.db2.gz CCWOFVKAXSKNLX-STQMWFEESA-N 1 0 316.401 2.022 10 0 DEAERO CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CCc3nnnn3CC1)CCC2 ZINC000333709150 403826038 /nfs/dbraw/zinc/82/60/38/403826038.db2.gz IDFCVVGYEQSNHA-QWRGUYRKSA-N 1 0 318.450 2.064 10 0 DEAERO O=C(NCc1cccc2cc[nH]c21)N1CCC2(CC[NH2+]C2)CC1 ZINC000333717024 403829749 /nfs/dbraw/zinc/82/97/49/403829749.db2.gz GDNXHSYESNXARE-UHFFFAOYSA-N 1 0 312.417 2.453 10 0 DEAERO O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)N1CCC([NH2+]CC2CC2)CC1 ZINC000333577383 403783745 /nfs/dbraw/zinc/78/37/45/403783745.db2.gz NEAXVDCNAPTZKT-BRWVUGGUSA-N 1 0 321.465 2.118 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC(OC2CCCC2)CC1 ZINC000333883557 403896523 /nfs/dbraw/zinc/89/65/23/403896523.db2.gz WSKICJYRXOFNHJ-AWEZNQCLSA-N 1 0 309.454 2.262 10 0 DEAERO CCc1nc(CCNC(=O)N2CCC3(CC[NH2+]C3)CC2)cs1 ZINC000333940021 403901800 /nfs/dbraw/zinc/90/18/00/403901800.db2.gz NRZHOXVWQNMFKP-UHFFFAOYSA-N 1 0 322.478 2.033 10 0 DEAERO CC(C)C[C@H]1OCCC[C@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333767139 403853201 /nfs/dbraw/zinc/85/32/01/403853201.db2.gz BLZCSCNKUQGXAI-HUUCEWRRSA-N 1 0 309.454 2.118 10 0 DEAERO Cc1nc([C@H]2CCCN2C(=O)N[C@H]2CCCC[NH2+]C2)cs1 ZINC000333821150 403872723 /nfs/dbraw/zinc/87/27/23/403872723.db2.gz KWWLBMCTPVKSEW-GXTWGEPZSA-N 1 0 308.451 2.440 10 0 DEAERO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000308695049 403960488 /nfs/dbraw/zinc/96/04/88/403960488.db2.gz DIAJYYHKRIUVDE-ILXRZTDVSA-N 1 0 302.484 2.216 10 0 DEAERO NC(=O)CC1([NH2+]Cc2sccc2Br)CCC1 ZINC000336672030 403912087 /nfs/dbraw/zinc/91/20/87/403912087.db2.gz IWSJSZDCDCRASI-UHFFFAOYSA-N 1 0 303.225 2.398 10 0 DEAERO Cn1cnc([C@@H]([NH3+])c2csc(I)c2)c1 ZINC000307547153 403953965 /nfs/dbraw/zinc/95/39/65/403953965.db2.gz ANXPCUASOWDSSW-VIFPVBQESA-N 1 0 319.171 2.134 10 0 DEAERO O=S1(=O)CC[C@H](NCc2cc(Cl)sc2Cl)C1 ZINC000312606299 403972857 /nfs/dbraw/zinc/97/28/57/403972857.db2.gz QTHHULKFLNJGEO-ZETCQYMHSA-N 1 0 300.232 2.332 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324444454 404100025 /nfs/dbraw/zinc/10/00/25/404100025.db2.gz UEORBMAWBWLMOS-CHWSQXEVSA-N 1 0 300.443 2.383 10 0 DEAERO c1ccc([C@@H]2[N@H+](C[C@@H]3COCCO3)CC23CCOCC3)cc1 ZINC000412014885 404058105 /nfs/dbraw/zinc/05/81/05/404058105.db2.gz RLAWGKNMSZOYTK-SJORKVTESA-N 1 0 303.402 2.256 10 0 DEAERO Cc1noc([C@H]2C[C@H](O)C[N@@H+]2C[C@@H]2CCc3ccccc3C2)n1 ZINC000328624477 404117419 /nfs/dbraw/zinc/11/74/19/404117419.db2.gz JYPKVFZBMRUEHG-XOKHGSTOSA-N 1 0 313.401 2.291 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000328861361 404163990 /nfs/dbraw/zinc/16/39/90/404163990.db2.gz ARWLBJJDZYVCNF-VBWUIIQKSA-N 1 0 321.465 2.367 10 0 DEAERO CC(C)COc1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000363876055 404235016 /nfs/dbraw/zinc/23/50/16/404235016.db2.gz ONLKUQJFASFCAS-QGZVFWFLSA-N 1 0 304.434 2.238 10 0 DEAERO CC(=O)Oc1ccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000369857385 404252146 /nfs/dbraw/zinc/25/21/46/404252146.db2.gz RDDFMJIYNWWGRF-SFHVURJKSA-N 1 0 319.401 2.382 10 0 DEAERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C[C@@H]1CCCCNC1=O ZINC000329300776 404294445 /nfs/dbraw/zinc/29/44/45/404294445.db2.gz VUFXUCRZKNHWML-GJZGRUSLSA-N 1 0 309.454 2.466 10 0 DEAERO CO[C@@H](C)c1nsc(NCC[N@H+](C)Cc2ccccc2)n1 ZINC000337913794 404307840 /nfs/dbraw/zinc/30/78/40/404307840.db2.gz LVWJYAUALJGHAJ-LBPRGKRZSA-N 1 0 306.435 2.211 10 0 DEAERO CC1(C)C[N@H+](Cc2ccc(CO)cc2)C[C@]2(CCCOC2)O1 ZINC000370041268 404314413 /nfs/dbraw/zinc/31/44/13/404314413.db2.gz PNSVVRHNVWKSIR-SFHVURJKSA-N 1 0 305.418 2.339 10 0 DEAERO c1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c2c(c1)OCCCO2 ZINC000356293991 404429843 /nfs/dbraw/zinc/42/98/43/404429843.db2.gz XZXZNKNXAMCRER-MAUKXSAKSA-N 1 0 319.401 2.276 10 0 DEAERO CCn1nccc1CC[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000338569245 404408785 /nfs/dbraw/zinc/40/87/85/404408785.db2.gz HSXMQAAJBKFNPH-SJORKVTESA-N 1 0 303.381 2.393 10 0 DEAERO Cc1c([C@H]2[C@H](C[NH2+][C@@H](C)C3CCCC3)CC(=O)N2C)cnn1C ZINC000329989508 404518753 /nfs/dbraw/zinc/51/87/53/404518753.db2.gz IBPFQSARRMCSBV-XLWVJDPXSA-N 1 0 318.465 2.416 10 0 DEAERO COc1cccc2c1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC000364810764 404536074 /nfs/dbraw/zinc/53/60/74/404536074.db2.gz MGXHSUJKCAJICT-QGZVFWFLSA-N 1 0 304.434 2.209 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000291895438 404570136 /nfs/dbraw/zinc/57/01/36/404570136.db2.gz IKQIDISSUOPOGG-KSZLIROESA-N 1 0 312.417 2.374 10 0 DEAERO Cc1cc(C)n(CC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000373876568 404624005 /nfs/dbraw/zinc/62/40/05/404624005.db2.gz QIWPWGCQNXJSTB-KRWDZBQOSA-N 1 0 318.465 2.413 10 0 DEAERO CC(C)[C@](C)(CO)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000352893813 404684658 /nfs/dbraw/zinc/68/46/58/404684658.db2.gz PTFILJWDZDFQQP-DOMZBBRYSA-N 1 0 301.814 2.076 10 0 DEAERO Cc1nccc(CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000366486039 404800401 /nfs/dbraw/zinc/80/04/01/404800401.db2.gz LTWWFCDVKVDMHJ-QGZVFWFLSA-N 1 0 310.401 2.412 10 0 DEAERO CN(C(=O)c1cnc(-c2ccccc2)nc1)[C@@H]1CCC[NH2+]CC1 ZINC000366676306 404829796 /nfs/dbraw/zinc/82/97/96/404829796.db2.gz ITJYOPZXPYLWKF-MRXNPFEDSA-N 1 0 310.401 2.358 10 0 DEAERO COC(=O)c1cc(C[NH2+]Cc2ccc3cc[nH]c3n2)n(C)c1C ZINC000361140745 404940597 /nfs/dbraw/zinc/94/05/97/404940597.db2.gz HLZNEVLBQLKWFY-UHFFFAOYSA-N 1 0 312.373 2.286 10 0 DEAERO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccsc1Br ZINC000388965552 405036841 /nfs/dbraw/zinc/03/68/41/405036841.db2.gz HMPTUXSSCSHHNH-GZMMTYOYSA-N 1 0 306.225 2.140 10 0 DEAERO CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379633281 405028375 /nfs/dbraw/zinc/02/83/75/405028375.db2.gz TZPIHGKBOJFGJW-MOPGFXCFSA-N 1 0 320.477 2.417 10 0 DEAERO C[NH+](C)C1(CNC(=O)N2CCC23CCC3)Cc2ccccc2C1 ZINC000435570273 404990100 /nfs/dbraw/zinc/99/01/00/404990100.db2.gz VYNGXFSVOPPAGL-UHFFFAOYSA-N 1 0 313.445 2.424 10 0 DEAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC23CCC3)[C@@H](C)C1 ZINC000435572261 404990240 /nfs/dbraw/zinc/99/02/40/404990240.db2.gz DEHSPNKCKIAUCJ-JKSUJKDBSA-N 1 0 323.481 2.461 10 0 DEAERO O[C@H](CC1CCCC1)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408041272 405097028 /nfs/dbraw/zinc/09/70/28/405097028.db2.gz BXNLTTVMFJIDFF-TVFCKZIOSA-N 1 0 311.466 2.180 10 0 DEAERO C[C@@H](C(=O)NCCNc1cc[nH+]cc1)c1cn(C)c2ccccc12 ZINC000361363403 405040334 /nfs/dbraw/zinc/04/03/34/405040334.db2.gz YNTJQORCXQWZGP-CQSZACIVSA-N 1 0 322.412 2.327 10 0 DEAERO COc1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)cn1 ZINC000436304010 405068377 /nfs/dbraw/zinc/06/83/77/405068377.db2.gz DNHBPFNJJUCVES-AWEZNQCLSA-N 1 0 300.358 2.410 10 0 DEAERO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000408022916 405091788 /nfs/dbraw/zinc/09/17/88/405091788.db2.gz OYMSZKZIRJLNCZ-UWVGGRQHSA-N 1 0 306.797 2.381 10 0 DEAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000408072405 405104222 /nfs/dbraw/zinc/10/42/22/405104222.db2.gz SDAUFWWBOFIBTQ-LSDHHAIUSA-N 1 0 302.484 2.407 10 0 DEAERO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000408073645 405106273 /nfs/dbraw/zinc/10/62/73/405106273.db2.gz QWCFXOPXSBIZLY-VXGBXAGGSA-N 1 0 316.380 2.380 10 0 DEAERO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000408073644 405106401 /nfs/dbraw/zinc/10/64/01/405106401.db2.gz QWCFXOPXSBIZLY-RYUDHWBXSA-N 1 0 316.380 2.380 10 0 DEAERO Cc1nc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cs1 ZINC000408098452 405111337 /nfs/dbraw/zinc/11/13/37/405111337.db2.gz FXIOHNQILXASGS-ZKYQVNSYSA-N 1 0 308.451 2.439 10 0 DEAERO Cc1cc(N2C[C@H](O)C[C@H]2CO)c2cc(Cl)cc(C)c2[nH+]1 ZINC000408195459 405135357 /nfs/dbraw/zinc/13/53/57/405135357.db2.gz PNPXVZFYDTWHTE-QWHCGFSZSA-N 1 0 306.793 2.437 10 0 DEAERO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361588001 405147498 /nfs/dbraw/zinc/14/74/98/405147498.db2.gz DBTDZFIUCVUKJI-IEBWSBKVSA-N 1 0 317.429 2.255 10 0 DEAERO CN(CC1CC1)C(=O)C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452054630 405143386 /nfs/dbraw/zinc/14/33/86/405143386.db2.gz ABWDJNMNCAETBV-MRXNPFEDSA-N 1 0 322.474 2.410 10 0 DEAERO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C(C)C ZINC000367804901 405158675 /nfs/dbraw/zinc/15/86/75/405158675.db2.gz XZIAQARPDJGBQL-HOTGVXAUSA-N 1 0 320.433 2.423 10 0 DEAERO CC(C)(C)[C@@H]1CCN(c2cc(N3CCCC3)ncn2)C[C@H]1O ZINC000408396505 405196472 /nfs/dbraw/zinc/19/64/72/405196472.db2.gz ZAXXWKUEJSFFCX-ZIAGYGMSSA-N 1 0 304.438 2.310 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2cc3nc[nH]c3cc2F)CC[N@@H+]1C ZINC000408464601 405212711 /nfs/dbraw/zinc/21/27/11/405212711.db2.gz FJVKRGHOFAJHNA-QWRGUYRKSA-N 1 0 304.369 2.257 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2cc3nc[nH]c3cc2F)CC[N@@H+]1C ZINC000408464603 405212983 /nfs/dbraw/zinc/21/29/83/405212983.db2.gz FJVKRGHOFAJHNA-WDEREUQCSA-N 1 0 304.369 2.257 10 0 DEAERO COC1([C@@H](C)[NH2+][C@H]2COc3c(C)cccc3C2)CCOCC1 ZINC000453247102 405290153 /nfs/dbraw/zinc/29/01/53/405290153.db2.gz HJHARMYTDPUFSP-GDBMZVCRSA-N 1 0 305.418 2.472 10 0 DEAERO COc1ccc(OC)c(C[NH2+][C@H](C)C2(OC)CCOCC2)c1 ZINC000453072046 405281797 /nfs/dbraw/zinc/28/17/97/405281797.db2.gz NBKFXUIQOHLPKT-CYBMUJFWSA-N 1 0 309.406 2.378 10 0 DEAERO COC1([C@@H](C)[NH2+]Cc2cn3ccc(C)cc3n2)CCOCC1 ZINC000453104733 405284239 /nfs/dbraw/zinc/28/42/39/405284239.db2.gz GFQARIOGBLADTO-CQSZACIVSA-N 1 0 303.406 2.316 10 0 DEAERO Cn1cc(CCC(=O)NCCNc2cc[nH+]cc2)c2ccccc21 ZINC000446736228 405391753 /nfs/dbraw/zinc/39/17/53/405391753.db2.gz OCLLUHFDJXUNPT-UHFFFAOYSA-N 1 0 322.412 2.156 10 0 DEAERO Cc1c(C[N@@H+]2CC[C@](O)(Cc3ccc(F)cc3)C2)cnn1C ZINC000420983684 405420493 /nfs/dbraw/zinc/42/04/93/405420493.db2.gz RFGQCEUHBWQDPX-KRWDZBQOSA-N 1 0 303.381 2.047 10 0 DEAERO Cc1ccc2[nH]c(CNC(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)nc2c1 ZINC000454616645 405372557 /nfs/dbraw/zinc/37/25/57/405372557.db2.gz ZTJUACAZMZJADW-BETUJISGSA-N 1 0 315.421 2.105 10 0 DEAERO COc1nsc(C[NH2+][C@@H]2CCCC[C@@H]2O)c1Br ZINC000638594050 405563339 /nfs/dbraw/zinc/56/33/39/405563339.db2.gz CMLNDXWUXJGKRL-SFYZADRCSA-N 1 0 321.240 2.307 10 0 DEAERO c1cnc(-c2ccnc(NC[C@@H]3CC[N@@H+]3C3CCCC3)n2)cn1 ZINC000528210534 405530501 /nfs/dbraw/zinc/53/05/01/405530501.db2.gz LYZRIIXJZHSLAU-AWEZNQCLSA-N 1 0 310.405 2.362 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000458670078 405533506 /nfs/dbraw/zinc/53/35/06/405533506.db2.gz TVSJJNUHTXSTJS-SJORKVTESA-N 1 0 303.450 2.468 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@H](CO)c2ccccc2)CC1 ZINC000458670161 405533756 /nfs/dbraw/zinc/53/37/56/405533756.db2.gz UAZOYHCGGKCVMS-QGZVFWFLSA-N 1 0 317.433 2.013 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@H](CO)C2CCCCC2)CC1 ZINC000458676313 405536759 /nfs/dbraw/zinc/53/67/59/405536759.db2.gz XTDWORQFALCBEO-QGZVFWFLSA-N 1 0 323.481 2.126 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1sccc1Br ZINC000638570118 405551041 /nfs/dbraw/zinc/55/10/41/405551041.db2.gz OVNQPSBAULLYFL-DTWKUNHWSA-N 1 0 303.225 2.381 10 0 DEAERO CC[C@H](CCO)[NH2+]Cc1snc(OC)c1Br ZINC000638666610 405604783 /nfs/dbraw/zinc/60/47/83/405604783.db2.gz MDLFURKDMXMWQA-SSDOTTSWSA-N 1 0 309.229 2.165 10 0 DEAERO C[C@H]1CC(F)(F)CCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638629175 405580862 /nfs/dbraw/zinc/58/08/62/405580862.db2.gz FRUOMVXTPWKODQ-DJLDLDEBSA-N 1 0 300.271 2.031 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)c2ccc(Br)cc2F)C[NH2+]1 ZINC000638650143 405594214 /nfs/dbraw/zinc/59/42/14/405594214.db2.gz APRRVKCNEINVJH-WCBMZHEXSA-N 1 0 315.186 2.459 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)Cc2ccccc2Br)C[NH2+]1 ZINC000638653660 405597169 /nfs/dbraw/zinc/59/71/69/405597169.db2.gz PYRXWKBZHTVOIP-ZYHUDNBSSA-N 1 0 311.223 2.248 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)Cc2ccc(Br)cc2)C[NH2+]1 ZINC000638654138 405597873 /nfs/dbraw/zinc/59/78/73/405597873.db2.gz JFVPTPIKVNESSR-GXFFZTMASA-N 1 0 311.223 2.248 10 0 DEAERO c1cn(-c2ccccc2)c(CN2CC[C@H](Nc3ncccn3)C2)n1 ZINC000580565469 405645246 /nfs/dbraw/zinc/64/52/46/405645246.db2.gz OMRIZYKGCHSJQI-HNNXBMFYSA-N 1 0 320.400 2.349 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000494414200 405691700 /nfs/dbraw/zinc/69/17/00/405691700.db2.gz ONMDTGKUNNOOCF-UHFFFAOYSA-N 1 0 304.434 2.373 10 0 DEAERO [NH3+][C@@H]1CCCCCN(C(=O)c2ccc(Br)o2)C1 ZINC000638824718 405695274 /nfs/dbraw/zinc/69/52/74/405695274.db2.gz VEPICQSWMNXRIS-SECBINFHSA-N 1 0 301.184 2.386 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc(Br)s2)C[C@@H]1C[NH3+] ZINC000638884251 405739658 /nfs/dbraw/zinc/73/96/58/405739658.db2.gz GNIOUKQRMSFGNF-SFYZADRCSA-N 1 0 303.225 2.177 10 0 DEAERO Cc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000638888135 405741748 /nfs/dbraw/zinc/74/17/48/405741748.db2.gz MWRPIZRNCCYRKE-ZYHUDNBSSA-N 1 0 311.223 2.424 10 0 DEAERO C[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)C[C@H]1C[NH3+] ZINC000638889758 405743461 /nfs/dbraw/zinc/74/34/61/405743461.db2.gz QBOZKUPGHCHGFI-WCBMZHEXSA-N 1 0 315.186 2.255 10 0 DEAERO C[C@H]1CN(C(=O)c2cc(F)ccc2Br)C[C@@H]1C[NH3+] ZINC000638893309 405744802 /nfs/dbraw/zinc/74/48/02/405744802.db2.gz YLRVVGFSVAVBHV-IUCAKERBSA-N 1 0 315.186 2.255 10 0 DEAERO Cc1cc(Br)cc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638898605 405749330 /nfs/dbraw/zinc/74/93/30/405749330.db2.gz LPEATISMDKNFNH-PWSUYJOCSA-N 1 0 311.223 2.424 10 0 DEAERO Cn1cncc1C[NH2+][C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1 ZINC000583616638 405773728 /nfs/dbraw/zinc/77/37/28/405773728.db2.gz VQTWSGMUNOWYBH-WMZOPIPTSA-N 1 0 323.400 2.226 10 0 DEAERO O[C@@]1(c2cn[nH]n2)CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000583617302 405775112 /nfs/dbraw/zinc/77/51/12/405775112.db2.gz DKBQYIXTUDVDML-KRWDZBQOSA-N 1 0 310.357 2.158 10 0 DEAERO c1cc2c(cc1C1([NH2+]C[C@@H]3COCCO3)CCCC1)OCCO2 ZINC000450522733 405941056 /nfs/dbraw/zinc/94/10/56/405941056.db2.gz ZQWDAHQLNYNEHL-OAHLLOKOSA-N 1 0 319.401 2.232 10 0 DEAERO O[C@H](C[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl)Cn1ccnn1 ZINC000459703391 406011708 /nfs/dbraw/zinc/01/17/08/406011708.db2.gz SJTOCUMWKXKTLJ-IVMMDQJWSA-N 1 0 320.824 2.218 10 0 DEAERO Cc1cccc(CNC(=O)C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)c1 ZINC000459715274 406016947 /nfs/dbraw/zinc/01/69/47/406016947.db2.gz LIWGCINIQVFGQE-IAGOWNOFSA-N 1 0 314.429 2.112 10 0 DEAERO c1nc2n(n1)[C@@H](C[N@@H+]1CCc3c(cnn3-c3ccccc3)C1)CC2 ZINC000639451210 406093804 /nfs/dbraw/zinc/09/38/04/406093804.db2.gz MAIGWGBIDLVNSK-MRXNPFEDSA-N 1 0 320.400 2.009 10 0 DEAERO CO[C@@H]1C[C@H]([NH2+]Cc2c(Br)cnn2C)C12CCC2 ZINC000459786639 406045843 /nfs/dbraw/zinc/04/58/43/406045843.db2.gz PFZRIIOXWRNQRN-NWDGAFQWSA-N 1 0 314.227 2.230 10 0 DEAERO Cc1c2ccccc2oc1CNC(=O)NCCOCC[NH+](C)C ZINC000471634162 406102871 /nfs/dbraw/zinc/10/28/71/406102871.db2.gz FAYMKTQWCMKYRX-UHFFFAOYSA-N 1 0 319.405 2.119 10 0 DEAERO C[C@H]1CCN(C(=O)NCCOCC[NH+](C)C)[C@H](c2ccco2)C1 ZINC000471631992 406103057 /nfs/dbraw/zinc/10/30/57/406103057.db2.gz ADLRLUDOFCQAEJ-GJZGRUSLSA-N 1 0 323.437 2.340 10 0 DEAERO C[C@@H]1CCN(C(=O)NCCOCC[NH+](C)C)[C@@H](c2ccco2)C1 ZINC000471631993 406103209 /nfs/dbraw/zinc/10/32/09/406103209.db2.gz ADLRLUDOFCQAEJ-HUUCEWRRSA-N 1 0 323.437 2.340 10 0 DEAERO c1nc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)cc2c1OCCO2 ZINC000639388787 406076367 /nfs/dbraw/zinc/07/63/67/406076367.db2.gz BGYUWWYWKXNUPE-YOEHRIQHSA-N 1 0 304.390 2.290 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc(C2CCOCC2)no1 ZINC000634554335 406168062 /nfs/dbraw/zinc/16/80/62/406168062.db2.gz WTSMSFKGVOJREB-HNNXBMFYSA-N 1 0 316.405 2.095 10 0 DEAERO O=C(C[N@@H+]1CCC12CCC2)NCc1ccccc1Cn1cccn1 ZINC000533023669 406116557 /nfs/dbraw/zinc/11/65/57/406116557.db2.gz TXXVEVCSMIRUBA-UHFFFAOYSA-N 1 0 324.428 2.176 10 0 DEAERO CC[N@H+](CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C)C1CC1 ZINC000471816324 406121612 /nfs/dbraw/zinc/12/16/12/406121612.db2.gz NCQUKIXGMWDAPL-PWSUYJOCSA-N 1 0 307.360 2.453 10 0 DEAERO CO[C@@H]1CC[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000471964794 406133188 /nfs/dbraw/zinc/13/31/88/406133188.db2.gz JXTRQNNCWLSGSS-LSDHHAIUSA-N 1 0 305.422 2.480 10 0 DEAERO CO[C@H]1CC[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000471964791 406133687 /nfs/dbraw/zinc/13/36/87/406133687.db2.gz JXTRQNNCWLSGSS-CABCVRRESA-N 1 0 305.422 2.480 10 0 DEAERO CC(=O)[C@](C)(O)C[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000567994864 406177081 /nfs/dbraw/zinc/17/70/81/406177081.db2.gz XEMHDOKKOIUDLZ-NVXWUHKLSA-N 1 0 324.490 2.150 10 0 DEAERO COC[C@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000534339108 406185323 /nfs/dbraw/zinc/18/53/23/406185323.db2.gz FSLUXLNCMRMBHK-QWHCGFSZSA-N 1 0 306.431 2.483 10 0 DEAERO O[C@@H]1[C@H](C[NH2+]Cc2cccc3c[nH]nc32)CCC12CCOCC2 ZINC000568124039 406196184 /nfs/dbraw/zinc/19/61/84/406196184.db2.gz YDWVKJIWQQWVIE-DOTOQJQBSA-N 1 0 315.417 2.220 10 0 DEAERO Cn1ncc(Br)c1CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487331633 406224064 /nfs/dbraw/zinc/22/40/64/406224064.db2.gz YGLLFRPMSFDNDN-GHMZBOCLSA-N 1 0 315.259 2.145 10 0 DEAERO c1nc(N2CCCCC2)cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000634812291 406295813 /nfs/dbraw/zinc/29/58/13/406295813.db2.gz DZTUFFLBVCZIOE-GJZGRUSLSA-N 1 0 301.438 2.045 10 0 DEAERO c1nc2c(ncnc2N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n1-c1ccccc1 ZINC000634807253 406293913 /nfs/dbraw/zinc/29/39/13/406293913.db2.gz DHWYWGVMVYWFKX-OKILXGFUSA-N 1 0 320.400 2.146 10 0 DEAERO COc1ccc(F)cc1CNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000488535324 406327842 /nfs/dbraw/zinc/32/78/42/406327842.db2.gz LLOLTOQKRAQODK-UHFFFAOYSA-N 1 0 321.396 2.286 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCc2nc(C3CC3)cs2)CC1 ZINC000545859237 406329533 /nfs/dbraw/zinc/32/95/33/406329533.db2.gz RJKAPNLLINJKLR-UHFFFAOYSA-N 1 0 320.462 2.472 10 0 DEAERO O=C(c1ccncc1Br)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632865894 406298045 /nfs/dbraw/zinc/29/80/45/406298045.db2.gz WZBKXWYIGMWLKS-MFKMUULPSA-N 1 0 324.222 2.058 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)CC2 ZINC000570377717 406385089 /nfs/dbraw/zinc/38/50/89/406385089.db2.gz RKIPFLLZOLNBPL-KGLIPLIRSA-N 1 0 318.465 2.096 10 0 DEAERO c1cc2c(c([C@H]3CCCN3CC34CC(C3)C[NH2+]4)c1)OCCO2 ZINC000634992252 406389432 /nfs/dbraw/zinc/38/94/32/406389432.db2.gz JIHOEPIAZSZIPN-NSWWBONSSA-N 1 0 300.402 2.347 10 0 DEAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)CC2)CCO1 ZINC000634973386 406380064 /nfs/dbraw/zinc/38/00/64/406380064.db2.gz ACXFBKBQZPRZOL-RDBSUJKOSA-N 1 0 303.468 2.137 10 0 DEAERO CC(C)CN(C)C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637908542 406472577 /nfs/dbraw/zinc/47/25/77/406472577.db2.gz GYYSBWLBQDWSMJ-UHFFFAOYSA-N 1 0 317.477 2.484 10 0 DEAERO COc1cc(NC(=O)C2=CC[C@H]([NH3+])C2)ccc1Br ZINC000637926735 406481244 /nfs/dbraw/zinc/48/12/44/406481244.db2.gz QVEWLGRUDVZCTG-VIFPVBQESA-N 1 0 311.179 2.444 10 0 DEAERO C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637874244 406456950 /nfs/dbraw/zinc/45/69/50/406456950.db2.gz GFALMFXGXDBFEH-HYVNUMGLSA-N 1 0 303.450 2.141 10 0 DEAERO c1ccn2c(c1)nnc2C1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000637876462 406457972 /nfs/dbraw/zinc/45/79/72/406457972.db2.gz SUSIJKMCZJDXFD-OAHLLOKOSA-N 1 0 300.406 2.478 10 0 DEAERO CCc1cc(CNC(=O)NCCC2CC[NH+](CC)CC2)on1 ZINC000525813174 406505367 /nfs/dbraw/zinc/50/53/67/406505367.db2.gz VYYMJQHQDSTQCC-UHFFFAOYSA-N 1 0 308.426 2.158 10 0 DEAERO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccc2nccnc21 ZINC000548394506 406510131 /nfs/dbraw/zinc/51/01/31/406510131.db2.gz DWYHPGDXVGLEHG-OAHLLOKOSA-N 1 0 312.417 2.480 10 0 DEAERO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)C1CCOCC1 ZINC000551985777 406666376 /nfs/dbraw/zinc/66/63/76/406666376.db2.gz YHSTXNUTCOKEQG-UHFFFAOYSA-N 1 0 321.343 2.280 10 0 DEAERO c1cnn(C2CC([NH2+]C3CCN(Cc4ccccn4)CC3)C2)c1 ZINC000638379883 406737063 /nfs/dbraw/zinc/73/70/63/406737063.db2.gz QIKJZTBPAANIPE-UHFFFAOYSA-N 1 0 311.433 2.236 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)[C@H]2CCc3cncn3C2)c1 ZINC000572725252 406728013 /nfs/dbraw/zinc/72/80/13/406728013.db2.gz DZPUNGBDPGRMSS-ZDUSSCGKSA-N 1 0 312.373 2.067 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)CC3CCCC3)[C@@H]2C1 ZINC000554746203 406823618 /nfs/dbraw/zinc/82/36/18/406823618.db2.gz TWZLDKAYSAKJCJ-MLHJIOFPSA-N 1 0 308.466 2.164 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643618093 407018408 /nfs/dbraw/zinc/01/84/08/407018408.db2.gz CAXHMLFIDDCROM-LLVKDONJSA-N 1 0 317.216 2.188 10 0 DEAERO CC(C)[NH2+]C[C@H](C)[C@@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129101476 196019087 /nfs/dbraw/zinc/01/90/87/196019087.db2.gz DCDVABHPOVWVFI-KKUMJFAQSA-N 1 0 304.500 2.318 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129311675 196038403 /nfs/dbraw/zinc/03/84/03/196038403.db2.gz SUJFUPFRQYOYIJ-ZNMIVQPWSA-N 1 0 302.484 2.072 10 0 DEAERO CC[NH2+][C@@H](c1cnn(CC)c1)c1cccc(S(C)(=O)=O)c1 ZINC000129361001 196041721 /nfs/dbraw/zinc/04/17/21/196041721.db2.gz ZBTUCQZULLZMMK-OAHLLOKOSA-N 1 0 307.419 2.005 10 0 DEAERO COc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c(Br)c1 ZINC000129532739 196055205 /nfs/dbraw/zinc/05/52/05/196055205.db2.gz OQQFYCUCPJACCA-JTQLQIEISA-N 1 0 318.211 2.195 10 0 DEAERO CC[C@@]1(C(=O)Nc2ncc(Br)cc2C)CC[NH2+]C1 ZINC000129565370 196058011 /nfs/dbraw/zinc/05/80/11/196058011.db2.gz PNTLZTCSLNNTGE-CYBMUJFWSA-N 1 0 312.211 2.481 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ncc(Br)cc1C ZINC000129600633 196060330 /nfs/dbraw/zinc/06/03/30/196060330.db2.gz FDIWEUZCUZSHNT-SECBINFHSA-N 1 0 300.200 2.337 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1ncc(Br)cc1C ZINC000129611822 196062055 /nfs/dbraw/zinc/06/20/55/196062055.db2.gz RLHYAEPXDUKJKA-SECBINFHSA-N 1 0 300.200 2.479 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NCCCCC(F)(F)F)cc1 ZINC000130873823 196118783 /nfs/dbraw/zinc/11/87/83/196118783.db2.gz ZGXBEVHKULIMSV-UHFFFAOYSA-N 1 0 324.368 2.417 10 0 DEAERO C[C@H]1CC[C@@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)O1 ZINC000130943481 196125536 /nfs/dbraw/zinc/12/55/36/196125536.db2.gz URGQCBHRLCDEAF-KBPBESRZSA-N 1 0 312.479 2.032 10 0 DEAERO CCc1nsc(S[C@@H]2CC[C@](CO)([NH2+]C(C)C)C2)n1 ZINC000131005643 196131787 /nfs/dbraw/zinc/13/17/87/196131787.db2.gz UWAXGUQIXNJVJM-MFKMUULPSA-N 1 0 301.481 2.474 10 0 DEAERO Cc1nsc(S[C@H]2CCC[C@]([NH2+]C(C)C)(C(N)=O)C2)n1 ZINC000131107156 196140674 /nfs/dbraw/zinc/14/06/74/196140674.db2.gz UHPCYPZOTKKZDW-GXFFZTMASA-N 1 0 314.480 2.103 10 0 DEAERO O=C(Nc1cnc(Br)cn1)c1ccc2c(c1)C[NH2+]C2 ZINC000131185171 196147227 /nfs/dbraw/zinc/14/72/27/196147227.db2.gz AOLOCGUMTQFDDN-UHFFFAOYSA-N 1 0 319.162 2.095 10 0 DEAERO CCc1nsc(S[C@H]2CC3(CC[C@@H]2[NH2+]C)OCCO3)n1 ZINC000131243063 196152885 /nfs/dbraw/zinc/15/28/85/196152885.db2.gz XIUWYNBZYSTDEP-UWVGGRQHSA-N 1 0 315.464 2.076 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)Cc1cccc(F)c1F ZINC000131274027 196156179 /nfs/dbraw/zinc/15/61/79/196156179.db2.gz YODLBCBRSWWGJJ-LBPRGKRZSA-N 1 0 305.390 2.310 10 0 DEAERO O=C(C[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1F ZINC000131402672 196165919 /nfs/dbraw/zinc/16/59/19/196165919.db2.gz BPYUNRRGZQHGMX-SECBINFHSA-N 1 0 302.143 2.149 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)Cc1c(F)cccc1F ZINC000131397696 196164684 /nfs/dbraw/zinc/16/46/84/196164684.db2.gz UMKKRVHTNHEBJC-NSHDSACASA-N 1 0 305.390 2.310 10 0 DEAERO CC1COC(C[NH3+])(c2cc(Br)ccc2F)OC1 ZINC000131398545 196165363 /nfs/dbraw/zinc/16/53/63/196165363.db2.gz QPTQWHKDSNIFPN-UHFFFAOYSA-N 1 0 304.159 2.383 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cnc2ccccc2c1 ZINC000131509934 196175784 /nfs/dbraw/zinc/17/57/84/196175784.db2.gz UHWWLFZBVHAUKR-WMLDXEAASA-N 1 0 309.413 2.472 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC2(C[NH3+])CCCCC2)cc1C ZINC000131560934 196180499 /nfs/dbraw/zinc/18/04/99/196180499.db2.gz OIIFJOLTOIEXEI-UHFFFAOYSA-N 1 0 310.463 2.491 10 0 DEAERO Cc1cnc(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)s1 ZINC000131569526 196181017 /nfs/dbraw/zinc/18/10/17/196181017.db2.gz KQQFRGVXOQPUNB-GFCCVEGCSA-N 1 0 300.387 2.441 10 0 DEAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(Br)cn1C1CC1 ZINC000131572857 196181200 /nfs/dbraw/zinc/18/12/00/196181200.db2.gz VGAUCLDARRVJPQ-NSHDSACASA-N 1 0 312.211 2.149 10 0 DEAERO CCS(=O)(=O)CCCOc1ccc([C@H](C)[NH2+]C)cc1F ZINC000131630219 196185989 /nfs/dbraw/zinc/18/59/89/196185989.db2.gz SAUYLTAKWJLHKN-NSHDSACASA-N 1 0 303.399 2.310 10 0 DEAERO [NH3+]C[C@H]1CCCN1C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000131839646 196204159 /nfs/dbraw/zinc/20/41/59/196204159.db2.gz UNAVCANFKZVMIM-OLZOCXBDSA-N 1 0 311.223 2.176 10 0 DEAERO C[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000132210129 196235262 /nfs/dbraw/zinc/23/52/62/196235262.db2.gz LEOCCNQJMCJABC-BETUJISGSA-N 1 0 312.435 2.036 10 0 DEAERO C[C@@H]([NH2+]CCNC(=O)N(C)C)c1sccc1Br ZINC000132366525 196249755 /nfs/dbraw/zinc/24/97/55/196249755.db2.gz BIJAGTAWBXCDOH-MRVPVSSYSA-N 1 0 320.256 2.432 10 0 DEAERO C[NH2+][C@H](C)c1ccc(O[C@H](C)C(=O)NCCOC)c(Cl)c1 ZINC000132378996 196251041 /nfs/dbraw/zinc/25/10/41/196251041.db2.gz KJWWKDSHEJDWDG-GHMZBOCLSA-N 1 0 314.813 2.150 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1sc2cccnc2c1N ZINC000132261454 196239671 /nfs/dbraw/zinc/23/96/71/196239671.db2.gz IMIVMOKPVOEPHS-SNVBAGLBSA-N 1 0 304.419 2.045 10 0 DEAERO CC(C)SCc1nc([C@H]([NH3+])CCS(C)(=O)=O)cs1 ZINC000132441717 196256110 /nfs/dbraw/zinc/25/61/10/196256110.db2.gz VSDXJSUJTCFUFC-SECBINFHSA-N 1 0 308.494 2.219 10 0 DEAERO CCc1nn(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)c1Br ZINC000132625253 196271911 /nfs/dbraw/zinc/27/19/11/196271911.db2.gz YNIGBBPQPRSCQY-QRTLGDNMSA-N 1 0 314.227 2.155 10 0 DEAERO CCC[C@H](C(=O)N(C)Cc1ccc([S@](C)=O)cc1)[NH+](C)C ZINC000132843848 196290079 /nfs/dbraw/zinc/29/00/79/196290079.db2.gz JQAKMQPPBYTLMO-QVKFZJNVSA-N 1 0 310.463 2.113 10 0 DEAERO C[NH2+]C1(c2nc(C(C)C)cs2)CCN(C(=O)N(C)C)CC1 ZINC000132903034 196294154 /nfs/dbraw/zinc/29/41/54/196294154.db2.gz UGUVFICRHFJGJJ-UHFFFAOYSA-N 1 0 310.467 2.459 10 0 DEAERO COCc1nc(N[C@H]2CCCc3sccc32)cc(NN)[nH+]1 ZINC000132918633 196296580 /nfs/dbraw/zinc/29/65/80/196296580.db2.gz GDPTXWNUNWITQN-JTQLQIEISA-N 1 0 305.407 2.460 10 0 DEAERO CC[C@@H](CSC)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000133236080 196323606 /nfs/dbraw/zinc/32/36/06/196323606.db2.gz UTHLENWPJULHKF-PWSUYJOCSA-N 1 0 302.465 2.126 10 0 DEAERO NC(=O)c1ccc(N2CCC([NH2+]CC3CC3)CC2)c(Cl)c1 ZINC000133710387 196331260 /nfs/dbraw/zinc/33/12/60/196331260.db2.gz FPBQTTNKFXAWGJ-UHFFFAOYSA-N 1 0 307.825 2.407 10 0 DEAERO C[C@@](C[NH3+])(NS(=O)(=O)c1ccccc1C(F)(F)F)C1CC1 ZINC000133741456 196333026 /nfs/dbraw/zinc/33/30/26/196333026.db2.gz SNFZCHCICJVVBW-LBPRGKRZSA-N 1 0 322.352 2.111 10 0 DEAERO [NH3+]Cc1nnc(Cc2ccc(Br)cc2)n1C1CC1 ZINC000133872440 196341885 /nfs/dbraw/zinc/34/18/85/196341885.db2.gz XJUJLROIRPXKMH-UHFFFAOYSA-N 1 0 307.195 2.425 10 0 DEAERO CCOC(=O)Cc1csc(N2CC[NH+]([C@H](C)CC)CC2)n1 ZINC000133950074 196348806 /nfs/dbraw/zinc/34/88/06/196348806.db2.gz YBYXSWGKYONFJZ-GFCCVEGCSA-N 1 0 311.451 2.169 10 0 DEAERO CC[S@@](=O)CCN1CC2(CCCCC2)[NH2+]C[C@@H]1C(C)C ZINC000134237275 196373096 /nfs/dbraw/zinc/37/30/96/196373096.db2.gz VOVOVQVHDMVUSA-QRWLVFNGSA-N 1 0 300.512 2.388 10 0 DEAERO CC[C@@H](CSC)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000134258252 196374508 /nfs/dbraw/zinc/37/45/08/196374508.db2.gz VJZXMEAADPFYAW-NSHDSACASA-N 1 0 320.480 2.198 10 0 DEAERO COc1ccc(C[C@]2(O)CCC[N@H+](C)C2)cc1Br ZINC000134345782 196380717 /nfs/dbraw/zinc/38/07/17/196380717.db2.gz SFBFPZFVXLSCED-CQSZACIVSA-N 1 0 314.223 2.457 10 0 DEAERO CC[C@@H](CCO)N[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000134373145 196382919 /nfs/dbraw/zinc/38/29/19/196382919.db2.gz RWFICLKHSOFOIS-GWCFXTLKSA-N 1 0 319.218 2.339 10 0 DEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)C[C@H](C)OC ZINC000134459947 196392756 /nfs/dbraw/zinc/39/27/56/196392756.db2.gz CWXKAIMMKKIOOQ-WPRPVWTQSA-N 1 0 304.232 2.047 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])C[C@H](C)OC)c1Br ZINC000134454300 196393051 /nfs/dbraw/zinc/39/30/51/196393051.db2.gz FXKWSAYHAXXMKQ-DTWKUNHWSA-N 1 0 304.232 2.040 10 0 DEAERO Cc1nn(C)c(C[C@@H]([NH3+])C[C@H]2CCCCO2)c1Br ZINC000134514830 196397642 /nfs/dbraw/zinc/39/76/42/196397642.db2.gz QALVUZUKKAHVQI-WDEREUQCSA-N 1 0 316.243 2.320 10 0 DEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(I)o1 ZINC000134534379 196399445 /nfs/dbraw/zinc/39/94/45/196399445.db2.gz HPLNSKADPNBFHD-CBAPKCEASA-N 1 0 307.131 2.151 10 0 DEAERO COC(=O)CCN(CC(C)C)C(=O)C[C@@H]([NH3+])CC(C)(C)C ZINC000134832451 196422741 /nfs/dbraw/zinc/42/27/41/196422741.db2.gz ANHVXKGXXSPDHK-CYBMUJFWSA-N 1 0 300.443 2.188 10 0 DEAERO COc1c(NCc2ccccc2Br)nc[nH+]c1NN ZINC000134973924 196435855 /nfs/dbraw/zinc/43/58/55/196435855.db2.gz DZMCGPHTYYMMMH-UHFFFAOYSA-N 1 0 324.182 2.145 10 0 DEAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000358117075 287378579 /nfs/dbraw/zinc/37/85/79/287378579.db2.gz AATTYGFSWXWHNU-HZPDHXFCSA-N 1 0 321.509 2.345 10 0 DEAERO c1nn(-c2ccccc2)nc1CNC1CC[NH+](C2CCC2)CC1 ZINC000299682203 229329904 /nfs/dbraw/zinc/32/99/04/229329904.db2.gz RCOSVHDZZXIQCD-UHFFFAOYSA-N 1 0 311.433 2.374 10 0 DEAERO [NH3+]C1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CS3)CC1 ZINC000037629305 424808456 /nfs/dbraw/zinc/80/84/56/424808456.db2.gz SJOCENZPXDWNBZ-UHFFFAOYSA-N 1 0 305.403 2.187 10 0 DEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCOCC(F)(F)F)C2)n1 ZINC000105885475 424849636 /nfs/dbraw/zinc/84/96/36/424849636.db2.gz SQIZCODGWCEPBN-CYBMUJFWSA-N 1 0 320.359 2.186 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000105881603 424849679 /nfs/dbraw/zinc/84/96/79/424849679.db2.gz FEPIKBRKWVDICC-OAHLLOKOSA-N 1 0 300.406 2.425 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccnc2N2CCCC2)C1 ZINC000194341499 424875154 /nfs/dbraw/zinc/87/51/54/424875154.db2.gz DEAYOBUMOUHLPM-CQSZACIVSA-N 1 0 317.437 2.288 10 0 DEAERO CCOc1ccc2cc(C(=O)NC[C@@H]3CCC[N@@H+]3C)[nH]c2c1 ZINC000194693165 424877370 /nfs/dbraw/zinc/87/73/70/424877370.db2.gz YWEUTNBWGMJWMZ-ZDUSSCGKSA-N 1 0 301.390 2.391 10 0 DEAERO CN(Cc1ccc(Br)cc1F)C[C@H]1C[NH2+]CCO1 ZINC000125518166 424856014 /nfs/dbraw/zinc/85/60/14/424856014.db2.gz CJQNNUVMQOFRSU-GFCCVEGCSA-N 1 0 317.202 2.008 10 0 DEAERO CC(C)n1ncnc1CN[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389839276 424915243 /nfs/dbraw/zinc/91/52/43/424915243.db2.gz MMHDDRCEOKFLAR-RDJZCZTQSA-N 1 0 313.449 2.469 10 0 DEAERO [NH3+]CC1(CCNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000404635874 424928445 /nfs/dbraw/zinc/92/84/45/424928445.db2.gz JAKNIHMLDRECOL-UHFFFAOYSA-N 1 0 323.245 2.401 10 0 DEAERO CC(C)(C)[C@H](C[NH3+])NC(=O)c1nscc1Br ZINC000404836282 424929820 /nfs/dbraw/zinc/92/98/20/424929820.db2.gz ZXZVNWLLBWMAOR-ZETCQYMHSA-N 1 0 306.229 2.009 10 0 DEAERO CC[NH+](CC)CCCNC(=O)c1nscc1Br ZINC000404909038 424930075 /nfs/dbraw/zinc/93/00/75/424930075.db2.gz TUEPUHQGKZGGMJ-UHFFFAOYSA-N 1 0 320.256 2.367 10 0 DEAERO [NH3+]CC[C@H]1CCCN(C(=O)c2nscc2Br)C1 ZINC000404806374 424930158 /nfs/dbraw/zinc/93/01/58/424930158.db2.gz YQWJWCXMELCNDA-MRVPVSSYSA-N 1 0 318.240 2.107 10 0 DEAERO C(CNc1nnc(C2CCOCC2)s1)C[NH+]1CCCCC1 ZINC000338642650 424938141 /nfs/dbraw/zinc/93/81/41/424938141.db2.gz SERLIOHUZUOINX-UHFFFAOYSA-N 1 0 310.467 2.720 10 0 DEAERO c1nnc2ccc(NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)nn12 ZINC000560193624 424888311 /nfs/dbraw/zinc/88/83/11/424888311.db2.gz XQWRSNGFHTUAML-MRXNPFEDSA-N 1 0 322.416 2.591 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1nn(-c2ccccc2)cc1C ZINC000592803659 425006033 /nfs/dbraw/zinc/00/60/33/425006033.db2.gz VZINNDRUMQRSMM-MRXNPFEDSA-N 1 0 312.417 2.994 10 0 DEAERO CN(C)c1nccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000354341513 425062704 /nfs/dbraw/zinc/06/27/04/425062704.db2.gz VXHASVRIEXNYSD-MRXNPFEDSA-N 1 0 311.433 2.619 10 0 DEAERO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[NH2+]CC1 ZINC000041546731 267366343 /nfs/dbraw/zinc/36/63/43/267366343.db2.gz KHQYYXRHIKCLBJ-NSHDSACASA-N 1 0 311.223 2.060 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)Cc2csc(NC(C)=O)n2)[C@H](C)C1 ZINC000079461489 267376420 /nfs/dbraw/zinc/37/64/20/267376420.db2.gz MQQOSTKGUUIOFP-BXUZGUMPSA-N 1 0 310.467 2.264 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2cccc(C)c2)[C@H](C)C1 ZINC000079461146 267376641 /nfs/dbraw/zinc/37/66/41/267376641.db2.gz FOSXTXNCNXASSE-AEFFLSMTSA-N 1 0 317.477 2.273 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(NC(=O)OC)cc1 ZINC000176965076 267549015 /nfs/dbraw/zinc/54/90/15/267549015.db2.gz BYKGBVYXFFAPJW-HNNXBMFYSA-N 1 0 319.405 2.421 10 0 DEAERO CN(C(=O)c1ccc2ncsc2c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662980979 425771780 /nfs/dbraw/zinc/77/17/80/425771780.db2.gz LIGCQJGITKPEQN-JTQLQIEISA-N 1 0 303.309 2.258 10 0 DEAERO [NH3+]C[C@H]1CN(CCOc2c(Cl)cccc2Cl)CCCO1 ZINC000313393200 268842364 /nfs/dbraw/zinc/84/23/64/268842364.db2.gz NZYBQDANIVIIKY-NSHDSACASA-N 1 0 319.232 2.422 10 0 DEAERO COc1ccc(C)nc1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333113227 268886549 /nfs/dbraw/zinc/88/65/49/268886549.db2.gz GWEJDNSSHXVGOP-CQSZACIVSA-N 1 0 318.421 2.252 10 0 DEAERO C[C@H](NC(=O)Nc1ccc2c(c1)N(C)CCO2)[C@H]1CCC[NH2+]C1 ZINC000333141364 268891542 /nfs/dbraw/zinc/89/15/42/268891542.db2.gz KYCHABHBVZKLQF-STQMWFEESA-N 1 0 318.421 2.025 10 0 DEAERO Cc1ccnc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000333183599 268898470 /nfs/dbraw/zinc/89/84/70/268898470.db2.gz SKIUZRZAVGJQNO-ZBFHGGJFSA-N 1 0 318.421 2.140 10 0 DEAERO CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000333191674 268900676 /nfs/dbraw/zinc/90/06/76/268900676.db2.gz AAWHGDLWIMJTLX-KKUMJFAQSA-N 1 0 319.453 2.138 10 0 DEAERO O=C(NCc1nc2ccccc2s1)N1CCC2(CC[NH2+]2)CC1 ZINC000333345329 268929660 /nfs/dbraw/zinc/92/96/60/268929660.db2.gz ZCTJQGYXBYOTLP-UHFFFAOYSA-N 1 0 316.430 2.334 10 0 DEAERO CCOc1ncc(C)cc1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333395804 268939699 /nfs/dbraw/zinc/93/96/99/268939699.db2.gz YCJNFTRDPBEMDN-UHFFFAOYSA-N 1 0 318.421 2.396 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000333660889 268972949 /nfs/dbraw/zinc/97/29/49/268972949.db2.gz LNTVDFULSDSPLZ-KCXAZCMYSA-N 1 0 321.396 2.049 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC(Oc2ccccc2)CC1 ZINC000333746576 268986482 /nfs/dbraw/zinc/98/64/82/268986482.db2.gz YKEDWPSDPGPKKD-YOEHRIQHSA-N 1 0 317.433 2.380 10 0 DEAERO CC(C)[C@@H]1N(C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@]12CCCO2 ZINC000333891056 269000488 /nfs/dbraw/zinc/00/04/88/269000488.db2.gz YFVNGHBEIKEDFC-YQQAZPJKSA-N 1 0 309.454 2.103 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3cncc(OCC4CCCC4)n3)C[C@@H]12 ZINC000333893185 269001502 /nfs/dbraw/zinc/00/15/02/269001502.db2.gz HIZHGRLCKAMNPF-RBSFLKMASA-N 1 0 302.422 2.219 10 0 DEAERO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000333894224 269001541 /nfs/dbraw/zinc/00/15/41/269001541.db2.gz HOJHJUWZTUZGAP-XHSDSOJGSA-N 1 0 309.417 2.329 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)C1 ZINC000334128272 269023118 /nfs/dbraw/zinc/02/31/18/269023118.db2.gz REJMFKVSSQEWPI-MELADBBJSA-N 1 0 323.462 2.362 10 0 DEAERO CN(C(=O)c1coc(Br)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347910718 269030420 /nfs/dbraw/zinc/03/04/20/269030420.db2.gz DEXAYXVZPIJRMQ-LLVKDONJSA-N 1 0 313.195 2.208 10 0 DEAERO CN(C)C1(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000397908767 269107424 /nfs/dbraw/zinc/10/74/24/269107424.db2.gz XFCFSGFPCMXVQB-CQSZACIVSA-N 1 0 311.470 2.317 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCC2CC(O)C2)C1 ZINC000496499006 269224860 /nfs/dbraw/zinc/22/48/60/269224860.db2.gz RBFAQPVEOKWZKG-SHARSMKWSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@H]([NH2+][C@@H](CO)CC(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496970465 269272257 /nfs/dbraw/zinc/27/22/57/269272257.db2.gz XDBYNWHBJZKBJU-SDDRHHMPSA-N 1 0 322.396 2.238 10 0 DEAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)Nc3ccccc3)[C@H]2C1 ZINC000246796621 274065648 /nfs/dbraw/zinc/06/56/48/274065648.db2.gz PNQWLVIAPAPPBO-IXDOHACOSA-N 1 0 318.417 2.284 10 0 DEAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(C(N)=O)c1 ZINC000185705839 274217928 /nfs/dbraw/zinc/21/79/28/274217928.db2.gz LQMLWGGUXIPDDW-ZDUSSCGKSA-N 1 0 318.421 2.172 10 0 DEAERO Cc1c2c(nn1-c1ccc(C)cc1)c(N1CC[NH2+]CC1)nnc2C ZINC000049454554 274666782 /nfs/dbraw/zinc/66/67/82/274666782.db2.gz ZVLFTXCVOVZCLU-UHFFFAOYSA-N 1 0 322.416 2.150 10 0 DEAERO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CN(C)CCO1)CC3 ZINC000156658479 274767886 /nfs/dbraw/zinc/76/78/86/274767886.db2.gz PIJNCAVUDVVDNY-CABCVRRESA-N 1 0 313.445 2.254 10 0 DEAERO O[C@H](C[N@@H+]1CCC[C@H](n2cncn2)C1)c1ccc(Cl)cc1 ZINC000171618740 275057050 /nfs/dbraw/zinc/05/70/50/275057050.db2.gz DIUJGIYUAMKCIT-LSDHHAIUSA-N 1 0 306.797 2.302 10 0 DEAERO c1nc2sc3c(c2c(N2CC[NH+](C4CC4)CC2)n1)CCC3 ZINC000299342670 275076634 /nfs/dbraw/zinc/07/66/34/275076634.db2.gz OXWBXHQSBGTMMC-UHFFFAOYSA-N 1 0 300.431 2.464 10 0 DEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1CCCc3c1cnn3C)CC2 ZINC000180506879 275776727 /nfs/dbraw/zinc/77/67/27/275776727.db2.gz NNFUEIRAUQAEDG-GXTWGEPZSA-N 1 0 314.437 2.117 10 0 DEAERO CC(C)n1nc(I)c2c1cc[nH+]c2N ZINC000089220063 275791806 /nfs/dbraw/zinc/79/18/06/275791806.db2.gz BCKDNSCCRGSIGN-UHFFFAOYSA-N 1 0 302.119 2.199 10 0 DEAERO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(-c2ncon2)cc1 ZINC000236712348 275922103 /nfs/dbraw/zinc/92/21/03/275922103.db2.gz UXWWDWFACSWINJ-MRXNPFEDSA-N 1 0 302.378 2.230 10 0 DEAERO CCC[C@@H](C(=O)NC1CCN(c2ccc(C)cn2)CC1)[NH+](C)C ZINC000164039536 276020954 /nfs/dbraw/zinc/02/09/54/276020954.db2.gz QOWRXNULIBGUMB-INIZCTEOSA-N 1 0 318.465 2.205 10 0 DEAERO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000134431882 276109236 /nfs/dbraw/zinc/10/92/36/276109236.db2.gz LCFGRANSKRXDPA-ZIAGYGMSSA-N 1 0 304.438 2.020 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3nc(COC)nc32)C12CCC2 ZINC000181903581 276346626 /nfs/dbraw/zinc/34/66/26/276346626.db2.gz ICVBORZRCJEDEN-MGPQQGTHSA-N 1 0 320.437 2.197 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)C1(C)C ZINC000246776756 276354570 /nfs/dbraw/zinc/35/45/70/276354570.db2.gz BWLGPRYSSQOEIE-SOUVJXGZSA-N 1 0 304.438 2.239 10 0 DEAERO CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCc3ncnn3C1)CCC2 ZINC000180608066 276691645 /nfs/dbraw/zinc/69/16/45/276691645.db2.gz MLNNSEOPBJTGBV-MNOVXSKESA-N 1 0 303.435 2.279 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)CCc2ccc(Cl)s2)CCO1 ZINC000116797346 276804284 /nfs/dbraw/zinc/80/42/84/276804284.db2.gz HVZWIHDVDIBXFO-NSHDSACASA-N 1 0 316.854 2.123 10 0 DEAERO COC(=O)C1CCC([NH2+][C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000192439814 277052144 /nfs/dbraw/zinc/05/21/44/277052144.db2.gz NVOOVWQBQXTTCE-ABHNRTSZSA-N 1 0 318.461 2.481 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000245813110 277080785 /nfs/dbraw/zinc/08/07/85/277080785.db2.gz QGJROKRHGXYITQ-JSGCOSHPSA-N 1 0 307.369 2.043 10 0 DEAERO CN1CCO[C@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000180501479 277127993 /nfs/dbraw/zinc/12/79/93/277127993.db2.gz VBIXOPLPPBTYAT-SJLPKXTDSA-N 1 0 316.445 2.309 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)N2CCOC(C)(C)C2)[C@H]1c1ccccc1 ZINC000179276399 277136321 /nfs/dbraw/zinc/13/63/21/277136321.db2.gz SJPDDIOABZMFNI-HZPDHXFCSA-N 1 0 317.433 2.252 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000245995325 277155444 /nfs/dbraw/zinc/15/54/44/277155444.db2.gz RFUIITOZQHAUMI-NUEKZKHPSA-N 1 0 315.417 2.246 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)N2CCSCC2)[C@@H]1c1ccccc1 ZINC000179270526 277166088 /nfs/dbraw/zinc/16/60/88/277166088.db2.gz YCRWGTUXMVEPFI-GJZGRUSLSA-N 1 0 305.447 2.190 10 0 DEAERO COC1([C@@H](C)[NH2+][C@@H]2CCN(CC3CCCC3)C2)CCOCC1 ZINC000453124645 277190176 /nfs/dbraw/zinc/19/01/76/277190176.db2.gz SCFAYPVKGAWPPK-NVXWUHKLSA-N 1 0 310.482 2.425 10 0 DEAERO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262344342 277333520 /nfs/dbraw/zinc/33/35/20/277333520.db2.gz FWTJFLIPGJRRPH-ZETOZRRWSA-N 1 0 310.825 2.388 10 0 DEAERO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCn2ncnc21 ZINC000164663527 277546127 /nfs/dbraw/zinc/54/61/27/277546127.db2.gz JBATXHUNBWUTST-HOTGVXAUSA-N 1 0 318.396 2.490 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000261779999 278010219 /nfs/dbraw/zinc/01/02/19/278010219.db2.gz KBRUNCMYPHXZSQ-GHMZBOCLSA-N 1 0 306.793 2.312 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)CC[N@@H+]1C ZINC000247463467 278014355 /nfs/dbraw/zinc/01/43/55/278014355.db2.gz RFLMJBWLBXUGKN-NFAWXSAZSA-N 1 0 315.417 2.054 10 0 DEAERO CS[C@H](C)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000122972860 278159057 /nfs/dbraw/zinc/15/90/57/278159057.db2.gz WKTNGXCPWNJRTG-HIFRSBDPSA-N 1 0 309.479 2.210 10 0 DEAERO C[C@H](CCNC(=O)c1cn2ccnc2s1)[NH+]1CCCCC1 ZINC000188793209 278173761 /nfs/dbraw/zinc/17/37/61/278173761.db2.gz IILZCRFZWYSAEF-GFCCVEGCSA-N 1 0 306.435 2.390 10 0 DEAERO C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000299608913 278312366 /nfs/dbraw/zinc/31/23/66/278312366.db2.gz UNCSXLWMGAGFLN-MEBBXXQBSA-N 1 0 307.781 2.027 10 0 DEAERO CC1(C)CN(C(=O)c2c(F)c(F)cc(F)c2F)CC[C@H]1[NH3+] ZINC000261671002 278319299 /nfs/dbraw/zinc/31/92/99/278319299.db2.gz AEIDPEWTDZCNMB-SECBINFHSA-N 1 0 304.287 2.442 10 0 DEAERO CC1(C)CN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CC[C@@H]1[NH3+] ZINC000261835288 278321425 /nfs/dbraw/zinc/32/14/25/278321425.db2.gz ILFYRKQKCWRQQK-AWEZNQCLSA-N 1 0 315.373 2.247 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C[C@@H]1CCOc2ccccc21 ZINC000155401590 278705958 /nfs/dbraw/zinc/70/59/58/278705958.db2.gz LEXLWIBUPFHSCM-KFWWJZLASA-N 1 0 302.418 2.494 10 0 DEAERO CCC[C@H](C(=O)N(C)Cc1ncc(C)c(OC)c1C)[NH+](C)C ZINC000179719293 278917906 /nfs/dbraw/zinc/91/79/06/278917906.db2.gz ABQGAVPALMKGQC-OAHLLOKOSA-N 1 0 307.438 2.396 10 0 DEAERO CCC[C@H](C(=O)NCC1CCN(CC(F)(F)F)CC1)[NH+](C)C ZINC000186990939 278920979 /nfs/dbraw/zinc/92/09/79/278920979.db2.gz DRIDPBDYGPUWRM-CYBMUJFWSA-N 1 0 323.403 2.107 10 0 DEAERO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191283450 279018809 /nfs/dbraw/zinc/01/88/09/279018809.db2.gz XVCUMZCZWIZWPK-MELADBBJSA-N 1 0 302.418 2.198 10 0 DEAERO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000184168729 279076243 /nfs/dbraw/zinc/07/62/43/279076243.db2.gz IUDHHHHYCFCURY-HNNXBMFYSA-N 1 0 323.481 2.145 10 0 DEAERO Cc1noc2nc(C)cc(C(=O)N3[C@@H](C)C[NH+](C)C[C@@H]3C)c12 ZINC000155028440 279259406 /nfs/dbraw/zinc/25/94/06/279259406.db2.gz HCRMNLYCZSAURL-QWRGUYRKSA-N 1 0 302.378 2.004 10 0 DEAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCO[C@H]1c1cccnc1 ZINC000356758338 279371315 /nfs/dbraw/zinc/37/13/15/279371315.db2.gz BRFFPYSAFVCYGH-KBMXLJTQSA-N 1 0 305.422 2.004 10 0 DEAERO Cn1nccc1C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246289250 279418670 /nfs/dbraw/zinc/41/86/70/279418670.db2.gz NELVRBNEPPEPJP-XHSDSOJGSA-N 1 0 316.449 2.047 10 0 DEAERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cncc(F)c1 ZINC000155923732 279457439 /nfs/dbraw/zinc/45/74/39/279457439.db2.gz FLALPVZGJXCITL-LBPRGKRZSA-N 1 0 301.369 2.330 10 0 DEAERO CC(C)[NH2+][C@@H](CCO)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095088347 279626749 /nfs/dbraw/zinc/62/67/49/279626749.db2.gz FMMHAUSMNLMLRX-AWEZNQCLSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000186675657 279737121 /nfs/dbraw/zinc/73/71/21/279737121.db2.gz PRTLYYWFFKMYKV-ZUZCIYMTSA-N 1 0 318.808 2.458 10 0 DEAERO CCO[C@@H]1C[C@](O)(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1(C)C ZINC000249074960 279889110 /nfs/dbraw/zinc/88/91/10/279889110.db2.gz LOGGDBXYVSVVJH-LSPIHWNJSA-N 1 0 311.466 2.346 10 0 DEAERO Cc1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)on1 ZINC000189030653 280363017 /nfs/dbraw/zinc/36/30/17/280363017.db2.gz QWQZWEPICULOJT-RISCZKNCSA-N 1 0 321.327 2.137 10 0 DEAERO Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H]3CCO[C@@H]3C)C2=O)c(C)c1 ZINC000189456289 280388284 /nfs/dbraw/zinc/38/82/84/280388284.db2.gz QJBMTILOHKMQSC-OAGGEKHMSA-N 1 0 302.418 2.484 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000229383831 280516532 /nfs/dbraw/zinc/51/65/32/280516532.db2.gz VUXBWMPIGATRFQ-CQSZACIVSA-N 1 0 316.442 2.436 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCNC(=O)C(C)(C)C ZINC000175025734 281188478 /nfs/dbraw/zinc/18/84/78/281188478.db2.gz TXNXDMPSTZVGMP-LSDHHAIUSA-N 1 0 323.481 2.014 10 0 DEAERO Cc1cnc(CN(C)C2CC[NH+](CCn3cccn3)CC2)s1 ZINC000180478112 281586287 /nfs/dbraw/zinc/58/62/87/281586287.db2.gz IPLGSORGQYRXAZ-UHFFFAOYSA-N 1 0 319.478 2.244 10 0 DEAERO CCC[C@@H]1CN(C(=O)NCC2CC[NH+](CCC)CC2)CCO1 ZINC000126727849 281839874 /nfs/dbraw/zinc/83/98/74/281839874.db2.gz IGPOHRJJYPOMNF-MRXNPFEDSA-N 1 0 311.470 2.319 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)Nc1cc(F)cc(F)c1 ZINC000128705232 281892685 /nfs/dbraw/zinc/89/26/85/281892685.db2.gz WFAKBBOELYLYGV-UHFFFAOYSA-N 1 0 313.348 2.199 10 0 DEAERO CCCn1nc(C)c(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1C ZINC000133505259 282017826 /nfs/dbraw/zinc/01/78/26/282017826.db2.gz GVBBKOHZSBIMMP-OAHLLOKOSA-N 1 0 306.454 2.466 10 0 DEAERO Cc1nc2ccccc2cc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263226072 282075272 /nfs/dbraw/zinc/07/52/72/282075272.db2.gz MSYWNKQZSDGBBN-OAHLLOKOSA-N 1 0 309.373 2.169 10 0 DEAERO C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000117788816 289086371 /nfs/dbraw/zinc/08/63/71/289086371.db2.gz GRTSPARGCTUILT-CKEIUWERSA-N 1 0 302.418 2.494 10 0 DEAERO C[NH+](C)C[C@@H]1COCCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000085469911 289203212 /nfs/dbraw/zinc/20/32/12/289203212.db2.gz GJEXDIINBQYGSN-CYBMUJFWSA-N 1 0 316.323 2.108 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)C1 ZINC000127207402 289312362 /nfs/dbraw/zinc/31/23/62/289312362.db2.gz ZJPKASHOLUVOPG-NEPJUHHUSA-N 1 0 307.360 2.453 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000180595517 289312544 /nfs/dbraw/zinc/31/25/44/289312544.db2.gz RIFMXUQFWBROQZ-UKRRQHHQSA-N 1 0 321.396 2.385 10 0 DEAERO C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2nccs2)CC1 ZINC000176146711 289884757 /nfs/dbraw/zinc/88/47/57/289884757.db2.gz SLVYGCRSMBRSRA-CYBMUJFWSA-N 1 0 308.451 2.474 10 0 DEAERO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000172099448 301228665 /nfs/dbraw/zinc/22/86/65/301228665.db2.gz YMFQCAONZJTQJB-KZCXMXTOSA-N 1 0 319.445 2.136 10 0 DEAERO CCn1cc(C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cn1 ZINC000171835268 325724213 /nfs/dbraw/zinc/72/42/13/325724213.db2.gz DGYSBSRAYOQQNP-UHFFFAOYSA-N 1 0 322.412 2.403 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2 ZINC000567586169 325824704 /nfs/dbraw/zinc/82/47/04/325824704.db2.gz JQSHCXCTXBRNKE-CHWSQXEVSA-N 1 0 317.433 2.125 10 0 DEAERO Cc1cc(C)c(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c(C)c1 ZINC000186094396 332914605 /nfs/dbraw/zinc/91/46/05/332914605.db2.gz ZNLJCZKCGCORHQ-KRWDZBQOSA-N 1 0 304.434 2.372 10 0 DEAERO C[NH+](C)Cc1ccc(CNC(=O)NCCOCC2CCC2)cc1 ZINC000584027536 331586554 /nfs/dbraw/zinc/58/65/54/331586554.db2.gz ZTRDYPTWIGVIDW-UHFFFAOYSA-N 1 0 319.449 2.364 10 0 DEAERO CC1CC[NH+](C2CCC(NC(=O)CCCCC(N)=O)CC2)CC1 ZINC000188957483 333059255 /nfs/dbraw/zinc/05/92/55/333059255.db2.gz MCPPKOYYNFPMSH-UHFFFAOYSA-N 1 0 323.481 2.191 10 0 DEAERO COC[C@H](C)C[NH+]1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000189576932 333142444 /nfs/dbraw/zinc/14/24/44/333142444.db2.gz UGYLIWBHYDQXMZ-CQSZACIVSA-N 1 0 310.413 2.234 10 0 DEAERO CCOc1ccccc1C(=O)N1CC[NH+](C[C@H](C)COC)CC1 ZINC000189648078 333201462 /nfs/dbraw/zinc/20/14/62/333201462.db2.gz XKUKKDXNGAIHRR-HNNXBMFYSA-N 1 0 320.433 2.126 10 0 DEAERO O[C@H](CNCc1ccsc1Br)C[NH+]1CCCC1 ZINC000388452947 333309756 /nfs/dbraw/zinc/30/97/56/333309756.db2.gz ZAKSDMCUGHALHZ-LLVKDONJSA-N 1 0 319.268 2.057 10 0 DEAERO COc1ccc([C@@H](O)C[N@H+](C)Cc2ccccc2)cc1CCO ZINC000584595065 337373983 /nfs/dbraw/zinc/37/39/83/337373983.db2.gz OBRPIAXYMNPXOW-SFHVURJKSA-N 1 0 315.413 2.395 10 0 DEAERO Fc1cnccc1-c1c[nH]c2ncc(NC3CC[NH2+]CC3)nc12 ZINC000584639015 337379723 /nfs/dbraw/zinc/37/97/23/337379723.db2.gz UTLDDHKKLWIMON-UHFFFAOYSA-N 1 0 312.352 2.323 10 0 DEAERO CCC[C@H](O)CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000114916862 500590966 /nfs/dbraw/zinc/59/09/66/500590966.db2.gz KWKMZHQGLAPBCK-KRWDZBQOSA-N 1 0 319.449 2.243 10 0 DEAERO Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@H]4C3(C)C)C2)nn1 ZINC000329288645 534162861 /nfs/dbraw/zinc/16/28/61/534162861.db2.gz QAOQSRUTWBGAQD-XOSAIJSUSA-N 1 0 316.449 2.157 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2cc(C(C)(C)C)no2)C1 ZINC000188017133 534264645 /nfs/dbraw/zinc/26/46/45/534264645.db2.gz WNJMXTZURFBIQA-PXAZEXFGSA-N 1 0 323.437 2.394 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCc2ccccc2F)[C@@H](C)C1 ZINC000156191949 519696180 /nfs/dbraw/zinc/69/61/80/519696180.db2.gz RMKIYDHEVQNBAP-BBRMVZONSA-N 1 0 307.413 2.396 10 0 DEAERO CC(C)CCc1nc(CN2CCO[C@H](C[NH+](C)C)C2)cs1 ZINC000105923944 519697990 /nfs/dbraw/zinc/69/79/90/519697990.db2.gz VBCZTYHXDHQQBB-OAHLLOKOSA-N 1 0 311.495 2.494 10 0 DEAERO CC(C)[C@H](C)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245812243 519810425 /nfs/dbraw/zinc/81/04/25/519810425.db2.gz CNEYDJIWHARUTB-USXIJHARSA-N 1 0 304.434 2.030 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)C[C@@H]2CCCOC2)CC1 ZINC000107842498 519842331 /nfs/dbraw/zinc/84/23/31/519842331.db2.gz TWQUEFQOZKEUKT-INIZCTEOSA-N 1 0 311.470 2.176 10 0 DEAERO CCC[C@H](C(=O)N1CCN([C@H](C)c2cccnc2)CC1)[NH+](C)C ZINC000162156796 520974391 /nfs/dbraw/zinc/97/43/91/520974391.db2.gz UCITVWDUHGQWDL-NVXWUHKLSA-N 1 0 318.465 2.017 10 0 DEAERO CC[N@H+](CCNC(=O)N(C)CCc1ccccc1OC)C1CC1 ZINC000104801410 521053232 /nfs/dbraw/zinc/05/32/32/521053232.db2.gz SHRAKZKTYCWVCG-UHFFFAOYSA-N 1 0 319.449 2.363 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000245423581 521652053 /nfs/dbraw/zinc/65/20/53/521652053.db2.gz BNCKJMCNLNUZSI-ZFWWWQNUSA-N 1 0 315.417 2.055 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)cc2)[C@@H](C)C1 ZINC000247298393 521717777 /nfs/dbraw/zinc/71/77/77/521717777.db2.gz GURJHHMVSOIHOO-HOCLYGCPSA-N 1 0 317.433 2.122 10 0 DEAERO CC[N@@H+]1CC[C@H]2OCCN(Cc3ncc(Cl)s3)[C@@H]2C1 ZINC000339391768 521723366 /nfs/dbraw/zinc/72/33/66/521723366.db2.gz IHHNZGXTTMKYOS-GHMZBOCLSA-N 1 0 301.843 2.092 10 0 DEAERO COCc1ccccc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000157080171 523101081 /nfs/dbraw/zinc/10/10/81/523101081.db2.gz LLLAOAKNMQQLHO-YOEHRIQHSA-N 1 0 319.449 2.361 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000163285543 523833624 /nfs/dbraw/zinc/83/36/24/523833624.db2.gz ASLBYFRMGWWBBW-CABCVRRESA-N 1 0 322.449 2.465 10 0 DEAERO C[C@H](CO)[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000247010457 524572966 /nfs/dbraw/zinc/57/29/66/524572966.db2.gz ZDDPIYUCBBNAKK-YCPHGPKFSA-N 1 0 322.424 2.171 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)CSCc2ccccn2)CC[N@@H+]1C ZINC000124343597 524785347 /nfs/dbraw/zinc/78/53/47/524785347.db2.gz BREVCELNMNTIMK-ZFWWWQNUSA-N 1 0 307.463 2.256 10 0 DEAERO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCO1 ZINC000328655430 534814857 /nfs/dbraw/zinc/81/48/57/534814857.db2.gz YKHXFAKGCOLNCY-IVCRCZCHSA-N 1 0 305.422 2.043 10 0 DEAERO C[C@H]1C[C@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000111599435 524957618 /nfs/dbraw/zinc/95/76/18/524957618.db2.gz OSMNNRZUMINHGL-DOTOQJQBSA-N 1 0 301.434 2.113 10 0 DEAERO C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccccc1-n1cccn1 ZINC000237425841 525289738 /nfs/dbraw/zinc/28/97/38/525289738.db2.gz LMAZQFMXFUSKJL-GDBMZVCRSA-N 1 0 324.428 2.439 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261722444 534891898 /nfs/dbraw/zinc/89/18/98/534891898.db2.gz JJXQNJVFRJMXBB-WBMJQRKESA-N 1 0 317.433 2.275 10 0 DEAERO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247222950 526032609 /nfs/dbraw/zinc/03/26/09/526032609.db2.gz YPTAXMSTLYZRHR-CHWSQXEVSA-N 1 0 310.438 2.097 10 0 DEAERO C=Cc1ccc(CCNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000418195576 526271317 /nfs/dbraw/zinc/27/13/17/526271317.db2.gz BYAATNPBHGAJSB-CQSZACIVSA-N 1 0 309.360 2.169 10 0 DEAERO C/C=C\C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C(=O)OCC ZINC000444309632 526332964 /nfs/dbraw/zinc/33/29/64/526332964.db2.gz AQZXKOYQBULULT-JTNKCWDGSA-N 1 0 310.438 2.262 10 0 DEAERO c1ccc(OCCCCC[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000364838551 526485347 /nfs/dbraw/zinc/48/53/47/526485347.db2.gz KMIGHPOWTROLQU-KRWDZBQOSA-N 1 0 304.434 2.252 10 0 DEAERO CC(=O)N(Cc1ccc(NC(=O)N[C@H](C)[C@@H](C)[NH3+])cc1)C(C)C ZINC000415194260 526498700 /nfs/dbraw/zinc/49/87/00/526498700.db2.gz MTVPWFWVIMAXRO-CHWSQXEVSA-N 1 0 320.437 2.301 10 0 DEAERO CC(=O)N(c1nc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cs1)C1CC1 ZINC000415056476 526506239 /nfs/dbraw/zinc/50/62/39/526506239.db2.gz QNBDKCAUQUAIRF-BDJLRTHQSA-N 1 0 322.478 2.075 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)CC2CCOCC2)[C@H]1c1ccccc1 ZINC000248048984 536453763 /nfs/dbraw/zinc/45/37/63/536453763.db2.gz NKLXNNOBJQXNHL-SJLPKXTDSA-N 1 0 302.418 2.365 10 0 DEAERO CC(C)(CC(N)=O)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000186251440 526981928 /nfs/dbraw/zinc/98/19/28/526981928.db2.gz UGNPYFZDIHZMOM-UHFFFAOYSA-N 1 0 303.175 2.332 10 0 DEAERO Cn1cc([C@@H]2CCC[N@@H+]2CCOCC(F)(F)C(F)F)cn1 ZINC000189101762 527297400 /nfs/dbraw/zinc/29/74/00/527297400.db2.gz MNYQTFOLZGDZPJ-NSHDSACASA-N 1 0 309.307 2.474 10 0 DEAERO CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000294384149 527803365 /nfs/dbraw/zinc/80/33/65/527803365.db2.gz RNQDRNOERYQYAX-ROUUACIJSA-N 1 0 318.461 2.435 10 0 DEAERO CC(C)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000441346083 528267334 /nfs/dbraw/zinc/26/73/34/528267334.db2.gz ITHFHZXNAKDDAI-LLVKDONJSA-N 1 0 320.405 2.267 10 0 DEAERO CC(C)C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000441346084 528474285 /nfs/dbraw/zinc/47/42/85/528474285.db2.gz ITHFHZXNAKDDAI-NSHDSACASA-N 1 0 320.405 2.267 10 0 DEAERO CC(C)Cc1nsc(N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)n1 ZINC000302541970 528686582 /nfs/dbraw/zinc/68/65/82/528686582.db2.gz OCFLBRMWZARQCL-LBPRGKRZSA-N 1 0 312.483 2.018 10 0 DEAERO CC(C)Cn1ccnc(NCC2(C[NH+](C)C)CCCC2)c1=O ZINC000302181461 528726669 /nfs/dbraw/zinc/72/66/69/528726669.db2.gz ZSZYNLUWUBQFGS-UHFFFAOYSA-N 1 0 306.454 2.433 10 0 DEAERO CC(C)[NH+]1CCC(Nc2nccn3c2nnc3C2CC2)CC1 ZINC000302214112 529001152 /nfs/dbraw/zinc/00/11/52/529001152.db2.gz NXSDUWCZQAEEHW-UHFFFAOYSA-N 1 0 300.410 2.286 10 0 DEAERO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([C@@H](O)C(N)=O)CC1 ZINC000299748220 529254945 /nfs/dbraw/zinc/25/49/45/529254945.db2.gz GLWKXVOUVCPSES-LSDHHAIUSA-N 1 0 310.825 2.349 10 0 DEAERO CC(C)(C)c1noc(CN(CC[NH3+])CCc2ccccc2)n1 ZINC000261704668 534936771 /nfs/dbraw/zinc/93/67/71/534936771.db2.gz GNVYTDUSSYFWJN-UHFFFAOYSA-N 1 0 302.422 2.371 10 0 DEAERO CC1(C)CN(C(=O)C[C@H]2OCCc3ccccc32)CC[C@H]1[NH3+] ZINC000262017155 535334766 /nfs/dbraw/zinc/33/47/66/535334766.db2.gz OOAVDLPFCFSIIC-HZPDHXFCSA-N 1 0 302.418 2.276 10 0 DEAERO CC1(C)CN(C(=O)c2coc(Br)c2)CC[C@@H]1[NH3+] ZINC000262134964 535351748 /nfs/dbraw/zinc/35/17/48/535351748.db2.gz WVDHHOGHRWPBQQ-VIFPVBQESA-N 1 0 301.184 2.242 10 0 DEAERO CC1(C)CN(CC(=O)NCc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000261666624 535352697 /nfs/dbraw/zinc/35/26/97/535352697.db2.gz KZYYASYVLSMMKY-AWEZNQCLSA-N 1 0 309.841 2.015 10 0 DEAERO CC1(C)CN(CC(=O)Nc2cccc3c2N=S=N3)CC[C@@H]1[NH3+] ZINC000262556073 535353929 /nfs/dbraw/zinc/35/39/29/535353929.db2.gz UFYJNMGOYLMWKY-LBPRGKRZSA-N 1 0 319.434 2.411 10 0 DEAERO CCNc1ccc(C(=O)OCC)cc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262275061 535523933 /nfs/dbraw/zinc/52/39/33/535523933.db2.gz WGOZRFAFWPZABF-LLVKDONJSA-N 1 0 319.405 2.089 10 0 DEAERO CCNc1ccc(C(=O)OCC)cc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262275062 535524488 /nfs/dbraw/zinc/52/44/88/535524488.db2.gz WGOZRFAFWPZABF-NSHDSACASA-N 1 0 319.405 2.089 10 0 DEAERO CCOC(=O)C1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261840099 535592301 /nfs/dbraw/zinc/59/23/01/535592301.db2.gz YOQFBDAFSRAMOO-IHTQCXBNSA-N 1 0 322.449 2.145 10 0 DEAERO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000373914246 535594742 /nfs/dbraw/zinc/59/47/42/535594742.db2.gz XZNAUWDBBRKMLC-AAEUAGOBSA-N 1 0 311.344 2.211 10 0 DEAERO CC[C@@H](C)[C@@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248521455 535631500 /nfs/dbraw/zinc/63/15/00/535631500.db2.gz BNDGFKPCNKQIMU-VQVIJEGRSA-N 1 0 321.509 2.438 10 0 DEAERO CCOC[C@@H]([NH2+]Cc1c(Br)cnn1C)C(C)C ZINC000310330867 535670116 /nfs/dbraw/zinc/67/01/16/535670116.db2.gz BNTCKFMZCQIGOA-LLVKDONJSA-N 1 0 304.232 2.333 10 0 DEAERO CCN(C(C)=O)c1nc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000246533199 535704354 /nfs/dbraw/zinc/70/43/54/535704354.db2.gz CIBKBBSWUXKRBY-SWLSCSKDSA-N 1 0 324.494 2.430 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000261546017 535787529 /nfs/dbraw/zinc/78/75/29/535787529.db2.gz KOAOGMWMIUFPBS-QGZVFWFLSA-N 1 0 303.450 2.109 10 0 DEAERO CCc1noc(C)c1CNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000455018003 535880149 /nfs/dbraw/zinc/88/01/49/535880149.db2.gz XTQFJAAUQBXUGK-NEPJUHHUSA-N 1 0 308.426 2.170 10 0 DEAERO CCc1noc([C@H](C)N2CCN(c3cc[nH+]cc3C)CC2)n1 ZINC000192570074 535898388 /nfs/dbraw/zinc/89/83/88/535898388.db2.gz WZLWPDHWIQBSOA-ZDUSSCGKSA-N 1 0 301.394 2.219 10 0 DEAERO Cn1cccc1[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000375027572 535995986 /nfs/dbraw/zinc/99/59/86/535995986.db2.gz QJHFODCBKBTBPC-QGZVFWFLSA-N 1 0 312.417 2.459 10 0 DEAERO CCc1c(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)[nH]c(C)c1C(C)=O ZINC000262064553 536039258 /nfs/dbraw/zinc/03/92/58/536039258.db2.gz RXQCTXIDKYFBLM-CYBMUJFWSA-N 1 0 305.422 2.288 10 0 DEAERO C[NH+](C)Cc1ccnc(NC(=O)c2ccnc3ccncc32)c1 ZINC000361900984 536050639 /nfs/dbraw/zinc/05/06/39/536050639.db2.gz JOBGZUJVKIQLPN-UHFFFAOYSA-N 1 0 307.357 2.339 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(OC)cc1O ZINC000246569237 536168312 /nfs/dbraw/zinc/16/83/12/536168312.db2.gz NAICCMOWEACTDT-STQMWFEESA-N 1 0 304.390 2.100 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3[nH]nc4ccccc43)CC[C@H]21 ZINC000247935644 536378252 /nfs/dbraw/zinc/37/82/52/536378252.db2.gz CLOSYKNXQOAFQB-CXAGYDPISA-N 1 0 312.417 2.048 10 0 DEAERO C[NH2+][C@H](C)CNC(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000261811486 536401788 /nfs/dbraw/zinc/40/17/88/536401788.db2.gz SUFTZSKQWPRINO-SNVBAGLBSA-N 1 0 306.797 2.172 10 0 DEAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1COc2ccccc21 ZINC000247056063 536445403 /nfs/dbraw/zinc/44/54/03/536445403.db2.gz BFDYWODVYOLMRM-ZFWWWQNUSA-N 1 0 303.406 2.103 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CSc2ccc(O)cc2)C1 ZINC000247304747 536470329 /nfs/dbraw/zinc/47/03/29/536470329.db2.gz PQVHKCBVGXMIAM-XJKSGUPXSA-N 1 0 320.458 2.427 10 0 DEAERO COCCOCCN(Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262047154 536497107 /nfs/dbraw/zinc/49/71/07/536497107.db2.gz PWPRGBNVZHMIMI-SFHVURJKSA-N 1 0 306.450 2.151 10 0 DEAERO COCCOc1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)cc1Cl ZINC000262034493 536661946 /nfs/dbraw/zinc/66/19/46/536661946.db2.gz ATUDFAFWUWVULW-SNVBAGLBSA-N 1 0 312.797 2.159 10 0 DEAERO COC(=O)c1ccc(F)c(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262561283 536718369 /nfs/dbraw/zinc/71/83/69/536718369.db2.gz VNFOEQYAJHMRCT-YVLXSGLVSA-N 1 0 320.364 2.472 10 0 DEAERO CO[C@@H]1C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC[C@@H]1C ZINC000251907573 536730981 /nfs/dbraw/zinc/73/09/81/536730981.db2.gz RLTPXUOSMKHIBG-SMDDNHRTSA-N 1 0 321.808 2.205 10 0 DEAERO COc1ccc(S[C@H](C)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000249839014 536881119 /nfs/dbraw/zinc/88/11/19/536881119.db2.gz UXBFYWDTHXEREU-KGLIPLIRSA-N 1 0 320.458 2.482 10 0 DEAERO C[C@H]1CN(Cc2cnc(NC(=O)C(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000725272073 563577880 /nfs/dbraw/zinc/57/78/80/563577880.db2.gz LYFVFQSVPLBSPT-JQWIXIFHSA-N 1 0 310.467 2.297 10 0 DEAERO CC[NH2+]CC[C@@H](CO)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000685962923 563961469 /nfs/dbraw/zinc/96/14/69/563961469.db2.gz AJGKKSAMNUMLSL-AWEZNQCLSA-N 1 0 300.443 2.242 10 0 DEAERO CC1([C@H]2CCC[N@H+](Cc3nc(-c4ccoc4)no3)C2)OCCO1 ZINC000183902075 625320374 /nfs/dbraw/zinc/32/03/74/625320374.db2.gz ZRYDBRDYPHAAJN-ZDUSSCGKSA-N 1 0 319.361 2.305 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192577983 625578226 /nfs/dbraw/zinc/57/82/26/625578226.db2.gz BUYJAORCVWUDOS-DJIMGWMZSA-N 1 0 303.402 2.477 10 0 DEAERO COc1ccccc1CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000169800221 622630470 /nfs/dbraw/zinc/63/04/70/622630470.db2.gz HNDMBBAZDJIHFK-UHFFFAOYSA-N 1 0 302.418 2.182 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)/C=C\c1ccccc1 ZINC000254952726 622794241 /nfs/dbraw/zinc/79/42/41/622794241.db2.gz ZRSUIKARBSJMIQ-KVNDZABWSA-N 1 0 308.447 2.451 10 0 DEAERO Cn1cnc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000309920808 625605909 /nfs/dbraw/zinc/60/59/09/625605909.db2.gz QPNWWIAKPSNGTQ-QXAKKESOSA-N 1 0 310.445 2.420 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)[C@H]2CSCCS2)CC1 ZINC000177066927 625652110 /nfs/dbraw/zinc/65/21/10/625652110.db2.gz OBACQQQOFAJTCJ-CYBMUJFWSA-N 1 0 302.509 2.073 10 0 DEAERO C[C@H](CC[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[S@@](C)=O ZINC000235424029 625656630 /nfs/dbraw/zinc/65/66/30/625656630.db2.gz PQZCXPKMDXKXIL-RRMDADRESA-N 1 0 318.483 2.133 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000089091556 624047992 /nfs/dbraw/zinc/04/79/92/624047992.db2.gz ROICLXXUFORNFA-BZEACYEMSA-N 1 0 314.838 2.358 10 0 DEAERO O=S(=O)(c1ccccc1NC[C@@H]1CCCC[NH2+]1)C(F)F ZINC000044493551 624870774 /nfs/dbraw/zinc/87/07/74/624870774.db2.gz RYUYRXLRFTVQFE-JTQLQIEISA-N 1 0 304.362 2.237 10 0 DEAERO CC(C)N(Cc1cccs1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000049645233 624907486 /nfs/dbraw/zinc/90/74/86/624907486.db2.gz YQDUITBCESIERA-CYBMUJFWSA-N 1 0 302.465 2.040 10 0 DEAERO Brc1c[nH]c(C[NH2+]C[C@H]2CSCCS2)n1 ZINC000309124287 624907726 /nfs/dbraw/zinc/90/77/26/624907726.db2.gz VQVSRFPUBFARJM-ZETCQYMHSA-N 1 0 308.270 2.110 10 0 DEAERO C[NH2+]CCc1noc(-c2cc(Br)ccc2F)n1 ZINC000051850592 624935700 /nfs/dbraw/zinc/93/57/00/624935700.db2.gz CIVPNEZHCDPNKM-UHFFFAOYSA-N 1 0 300.131 2.400 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1cccnc1Cl ZINC000177696575 625062969 /nfs/dbraw/zinc/06/29/69/625062969.db2.gz DCMJNTVYHACCNL-LBPRGKRZSA-N 1 0 310.829 2.090 10 0 DEAERO CS(=O)(=O)c1ccc(NCc2ccc(CC[NH3+])cc2)cc1 ZINC000052899366 625119640 /nfs/dbraw/zinc/11/96/40/625119640.db2.gz JRXDWXJJBVMOLA-UHFFFAOYSA-N 1 0 304.415 2.203 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000053706668 625728908 /nfs/dbraw/zinc/72/89/08/625728908.db2.gz RUYSGTKXADKRLV-LBPRGKRZSA-N 1 0 318.389 2.261 10 0 DEAERO CCN(Cc1ccc(C[NH+](C)C)cc1)CN1CCOC1=S ZINC000066795639 625849950 /nfs/dbraw/zinc/84/99/50/625849950.db2.gz DHOXZBXAMPVRTL-UHFFFAOYSA-N 1 0 307.463 2.145 10 0 DEAERO CC(=O)CC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000125462777 633747491 /nfs/dbraw/zinc/74/74/91/633747491.db2.gz QFYQVRUTGXYDRT-UHFFFAOYSA-N 1 0 306.381 2.133 10 0 DEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000337164138 635750126 /nfs/dbraw/zinc/75/01/26/635750126.db2.gz WQOPOIFXWOIKIC-KGLIPLIRSA-N 1 0 304.390 2.060 10 0 DEAERO CCN(CC)c1ccc(NC(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000072543748 636095220 /nfs/dbraw/zinc/09/52/20/636095220.db2.gz KUVQTSBOOUOTOA-UHFFFAOYSA-N 1 0 318.465 2.109 10 0 DEAERO Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H]2C[NH+]3CCC2CC3)c1 ZINC000222546396 636359949 /nfs/dbraw/zinc/35/99/49/636359949.db2.gz VTBLIBHOJAYWRA-YOEHRIQHSA-N 1 0 302.418 2.281 10 0 DEAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1nnsc1-c1ccccc1 ZINC000222572870 636363106 /nfs/dbraw/zinc/36/31/06/636363106.db2.gz YLQVGWMQLWWQNB-CYBMUJFWSA-N 1 0 314.414 2.029 10 0 DEAERO C[NH+]1CCC(NC(=O)c2cc(-c3ccc(F)c(F)c3)on2)CC1 ZINC000222708150 636373108 /nfs/dbraw/zinc/37/31/08/636373108.db2.gz ZAXVUYLNMSRMNJ-UHFFFAOYSA-N 1 0 321.327 2.444 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000186799724 636566262 /nfs/dbraw/zinc/56/62/62/636566262.db2.gz ZPIFAEBPBWXDJI-SMDDNHRTSA-N 1 0 318.808 2.254 10 0 DEAERO C[NH2+][C@H](C)CNC(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000261862858 636636435 /nfs/dbraw/zinc/63/64/35/636636435.db2.gz YQBXGYLMZJZWKW-SNVBAGLBSA-N 1 0 311.451 2.379 10 0 DEAERO CCOC(=O)CC1([NH3+])CCN(C(=O)OCc2ccccc2)CC1 ZINC000140974504 637294835 /nfs/dbraw/zinc/29/48/35/637294835.db2.gz UCBXAYNYAVZSSK-UHFFFAOYSA-N 1 0 320.389 2.070 10 0 DEAERO C[NH+](C)CC(C)(C)CNC(=S)NNc1cccc(F)c1F ZINC000743004274 638109590 /nfs/dbraw/zinc/10/95/90/638109590.db2.gz IOXLXASAXCOXOO-UHFFFAOYSA-N 1 0 316.421 2.344 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C/C=C(\C)C(=O)OC)C1 ZINC000746501442 638350563 /nfs/dbraw/zinc/35/05/63/638350563.db2.gz LSHALLSWSXDMHK-FQSSWDBKSA-N 1 0 310.438 2.123 10 0 DEAERO CC(=O)N(C)CC(=O)OC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000751175217 639063427 /nfs/dbraw/zinc/06/34/27/639063427.db2.gz JYILSNSZRQIEGY-SFHVURJKSA-N 1 0 318.417 2.063 10 0 DEAERO CC[C@@H]1C[C@@H](C[NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CCO1 ZINC000263525801 640285381 /nfs/dbraw/zinc/28/53/81/640285381.db2.gz TYZQANXEFRHDLG-ZGRYLRDCSA-N 1 0 324.465 2.109 10 0 DEAERO Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000794010559 644343366 /nfs/dbraw/zinc/34/33/66/644343366.db2.gz SUOHGKWITLABGU-OAHLLOKOSA-N 1 0 306.797 2.250 10 0 DEAERO CCOC(=O)Oc1ccc(C(=O)NCCCC[NH+](C)C)cc1 ZINC000800492447 645280163 /nfs/dbraw/zinc/28/01/63/645280163.db2.gz BIYFKKFIYJRYBX-UHFFFAOYSA-N 1 0 308.378 2.294 10 0 DEAERO O[C@H]1[C@H](C[NH2+]Cc2ccc(Cl)nc2)CCC12CCOCC2 ZINC000801734110 645435089 /nfs/dbraw/zinc/43/50/89/645435089.db2.gz WEQNJTGKXOVIQI-ZFWWWQNUSA-N 1 0 310.825 2.392 10 0 DEAERO CCN1CC(=O)N(C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000804191759 645738268 /nfs/dbraw/zinc/73/82/68/645738268.db2.gz HFZWDFXFYKGKIF-SFHVURJKSA-N 1 0 315.417 2.183 10 0 DEAERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000150739270 646084820 /nfs/dbraw/zinc/08/48/20/646084820.db2.gz FAZBNOUCDIOYKG-CYBMUJFWSA-N 1 0 303.406 2.379 10 0 DEAERO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](O)c2cc(C)cc(C)c2)C1 ZINC000156436505 646422192 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CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C[C@H](O)c1ccco1 ZINC000152150794 647109697 /nfs/dbraw/zinc/10/96/97/647109697.db2.gz PTJQDHOGVUBEIM-MJBXVCDLSA-N 1 0 311.426 2.121 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nc(-c2ccccc2)ccc1=O ZINC000153205355 647383982 /nfs/dbraw/zinc/38/39/82/647383982.db2.gz DQXYMCOGZADVQI-DOTOQJQBSA-N 1 0 324.428 2.036 10 0 DEAERO C[C@H](NC(=O)CCCCCC[NH3+])c1ccc(-n2cncn2)cc1 ZINC000237596193 648389306 /nfs/dbraw/zinc/38/93/06/648389306.db2.gz VWTNTFVLLLPUPC-AWEZNQCLSA-N 1 0 315.421 2.354 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000237810824 648423472 /nfs/dbraw/zinc/42/34/72/648423472.db2.gz SAPGNRHBUXEHCY-BXUZGUMPSA-N 1 0 310.344 2.171 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000180736839 648512179 /nfs/dbraw/zinc/51/21/79/648512179.db2.gz IHWLEUUSTUMIAR-WDEREUQCSA-N 1 0 314.788 2.377 10 0 DEAERO O[C@H](C[NH2+]CCOc1cccc(Br)c1)C1CC1 ZINC000071304621 649079578 /nfs/dbraw/zinc/07/95/78/649079578.db2.gz PEHYXXQGFVXUKN-CYBMUJFWSA-N 1 0 300.196 2.188 10 0 DEAERO CCc1cnccc1C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000183614426 649121587 /nfs/dbraw/zinc/12/15/87/649121587.db2.gz PUKMWDXNQWYIRA-HNNXBMFYSA-N 1 0 306.406 2.158 10 0 DEAERO CNC(=O)[C@H]([NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12)C(C)C ZINC000183688485 649135333 /nfs/dbraw/zinc/13/53/33/649135333.db2.gz QXGUHKUZYXKUDM-MRXNPFEDSA-N 1 0 316.401 2.270 10 0 DEAERO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1O ZINC000184680386 649344762 /nfs/dbraw/zinc/34/47/62/649344762.db2.gz QLPIIUXKAMHEER-NXEZZACHSA-N 1 0 312.797 2.140 10 0 DEAERO Cc1ccccc1CC(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000073190119 649659980 /nfs/dbraw/zinc/65/99/80/649659980.db2.gz LSPJBNLOALLDHW-KRWDZBQOSA-N 1 0 305.418 2.438 10 0 DEAERO Cc1ccccc1CC(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000073190123 649659992 /nfs/dbraw/zinc/65/99/92/649659992.db2.gz LSPJBNLOALLDHW-QGZVFWFLSA-N 1 0 305.418 2.438 10 0 DEAERO Cn1nccc1C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000114989824 652082706 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C[NH2+]C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000037536781 683882583 /nfs/dbraw/zinc/88/25/83/683882583.db2.gz SMVLWVMQHJSMLU-UHFFFAOYSA-N 1 0 322.352 2.078 10 0 DEAERO COc1csc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000080292811 683980262 /nfs/dbraw/zinc/98/02/62/683980262.db2.gz FMJNSCHYZODCMX-CYBMUJFWSA-N 1 0 313.419 2.270 10 0 DEAERO O=C(NCCC[N@H+](C[C@H]1CCCO1)C1CCCC1)C(F)(F)F ZINC000091582632 684037398 /nfs/dbraw/zinc/03/73/98/684037398.db2.gz XOAWIYDBNSSMDC-CYBMUJFWSA-N 1 0 322.371 2.479 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](C[C@H](O)c3ccc(F)c(F)c3)C2)cn1 ZINC000116322905 684065118 /nfs/dbraw/zinc/06/51/18/684065118.db2.gz XRUGIPKYSCIPFQ-LRDDRELGSA-N 1 0 307.344 2.221 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000119334502 684080000 /nfs/dbraw/zinc/08/00/00/684080000.db2.gz YIMOOSXSAPEQFJ-WMZOPIPTSA-N 1 0 314.433 2.341 10 0 DEAERO C[C@@H]1[C@@H](c2ccccc2)CCN1Cn1nc(CO)n(C)c1=S ZINC000120575333 684098057 /nfs/dbraw/zinc/09/80/57/684098057.db2.gz VXHHOPJCIPSQTD-OCCSQVGLSA-N 1 0 318.446 2.279 10 0 DEAERO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cccc2ccccc21 ZINC000123952718 684129807 /nfs/dbraw/zinc/12/98/07/684129807.db2.gz XQIICXLWMLQLMI-UHFFFAOYSA-N 1 0 306.431 2.445 10 0 DEAERO CCCn1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)cn1 ZINC000129144866 684176094 /nfs/dbraw/zinc/17/60/94/684176094.db2.gz NSUKUYJWFKSSRN-GJZGRUSLSA-N 1 0 305.426 2.384 10 0 DEAERO CCOCc1nc(Cl)cc(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000130015904 684184257 /nfs/dbraw/zinc/18/42/57/684184257.db2.gz LMPMJYLBDRJXMA-LBPRGKRZSA-N 1 0 310.829 2.341 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000130432820 684188927 /nfs/dbraw/zinc/18/89/27/684188927.db2.gz KEFCMCFBMWLDMR-CYBMUJFWSA-N 1 0 321.384 2.359 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000187914512 684346077 /nfs/dbraw/zinc/34/60/77/684346077.db2.gz JBMGIZQXQIALOA-IAQYHMDHSA-N 1 0 311.813 2.156 10 0 DEAERO CC[C@]1(C)CN(Cn2cnc3c2ncnc3NC(C)C)CCO1 ZINC000190349357 684403614 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CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)CC2(OC)CCC2)C1 ZINC000886094242 692002293 /nfs/dbraw/zinc/00/22/93/692002293.db2.gz XARGGPAAJOSPPZ-XHSDSOJGSA-N 1 0 324.465 2.046 10 0 DEAERO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cnn[nH]1 ZINC000398356018 790267170 /nfs/dbraw/zinc/26/71/70/790267170.db2.gz LKFKVHRKCDYUII-DGCLKSJQSA-N 1 0 309.414 2.072 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c1C ZINC000722593106 776537366 /nfs/dbraw/zinc/53/73/66/776537366.db2.gz APYXLOCGFYVENO-GFCCVEGCSA-N 1 0 314.476 2.094 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@H](CC[NH3+])C2)c1C ZINC000723707753 777165622 /nfs/dbraw/zinc/16/56/22/777165622.db2.gz HYRWYKWNOYSBEU-LBPRGKRZSA-N 1 0 302.465 2.033 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000723817921 777174777 /nfs/dbraw/zinc/17/47/77/777174777.db2.gz UCUQQVCJQYYKMF-BFHYXJOUSA-N 1 0 300.443 2.362 10 0 DEAERO Cc1cnn(C)c1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000723817335 777174849 /nfs/dbraw/zinc/17/48/49/777174849.db2.gz OIEZDQCUFHWWSX-ZIAGYGMSSA-N 1 0 322.453 2.321 10 0 DEAERO C[C@](O)(C[NH2+]C[C@H]1CCOC1(C)C)C(F)(F)C(F)(F)F ZINC000724095247 777239766 /nfs/dbraw/zinc/23/97/66/777239766.db2.gz AMOCCXJEZBEGOR-SCZZXKLOSA-N 1 0 305.287 2.340 10 0 DEAERO C[N@H+](C[C@H]1CCCCO1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724112552 777243616 /nfs/dbraw/zinc/24/36/16/777243616.db2.gz ULOOJYSYNBCYPK-NXEZZACHSA-N 1 0 305.287 2.436 10 0 DEAERO Brc1c[nH]c(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)n1 ZINC000722315557 778603278 /nfs/dbraw/zinc/60/32/78/778603278.db2.gz CCJBCGIVXYBWNX-NXEZZACHSA-N 1 0 300.200 2.219 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccnn1C ZINC000721869175 780450035 /nfs/dbraw/zinc/45/00/35/780450035.db2.gz WUDMDWOXNGXKFG-JHJVBQTASA-N 1 0 308.426 2.326 10 0 DEAERO CO[C@]1(C[NH2+][C@@H](C)c2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000721258569 781017844 /nfs/dbraw/zinc/01/78/44/781017844.db2.gz IDZPMQYSCJXICF-FZMZJTMJSA-N 1 0 317.838 2.194 10 0 DEAERO CC[C@H](C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C)[NH+](CC)CC ZINC000440149580 781847762 /nfs/dbraw/zinc/84/77/62/781847762.db2.gz KRSXPERZBYVORK-UONOGXRCSA-N 1 0 321.469 2.425 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000722566032 787333945 /nfs/dbraw/zinc/33/39/45/787333945.db2.gz GGKQMPRHPOGNDA-UFBFGSQYSA-N 1 0 302.465 2.031 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC000723819095 787345473 /nfs/dbraw/zinc/34/54/73/787345473.db2.gz DVAHDWZSTJMJDD-CHWSQXEVSA-N 1 0 308.426 2.013 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1nccn1C ZINC000723823734 787345619 /nfs/dbraw/zinc/34/56/19/787345619.db2.gz MPVHDLJQMPZEJG-CHWSQXEVSA-N 1 0 308.426 2.013 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000724026734 787346507 /nfs/dbraw/zinc/34/65/07/787346507.db2.gz HKNFRAMNQRRIDH-CABCVRRESA-N 1 0 322.453 2.475 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2Br)C[C@H](C)O1 ZINC000724300039 787350978 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CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000714249719 792306631 /nfs/dbraw/zinc/30/66/31/792306631.db2.gz ZQJGUPDAMUMFJT-HAQNSBGRSA-N 1 0 318.236 2.114 10 0 DEAERO Cc1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)s1 ZINC000714335098 792309471 /nfs/dbraw/zinc/30/94/71/792309471.db2.gz OXMXQZYXOQFAMD-SKDRFNHKSA-N 1 0 302.465 2.378 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccnn1C ZINC000715133891 792407546 /nfs/dbraw/zinc/40/75/46/792407546.db2.gz KBYSMVICIWSLLB-UPJWGTAASA-N 1 0 308.426 2.374 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715390086 792448661 /nfs/dbraw/zinc/44/86/61/792448661.db2.gz SCOGBEANVNRCDJ-MFKMUULPSA-N 1 0 314.227 2.230 10 0 DEAERO c1ccc(COC2CC([NH2+]C[C@@H]3CN4CCC[C@H]4CO3)C2)cc1 ZINC000716240994 792944470 /nfs/dbraw/zinc/94/44/70/792944470.db2.gz IBNJZPJTIWAFEV-VLOYRQLPSA-N 1 0 316.445 2.187 10 0 DEAERO Cc1cc(C[NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000716447397 792959507 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COc1cc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)ccn1 ZINC000711425184 1087099813 /nfs/dbraw/zinc/09/98/13/1087099813.db2.gz LSLCXFJCXQPOKS-OKILXGFUSA-N 1 0 321.421 2.483 10 0 DEAERO CCN1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711441362 1087113204 /nfs/dbraw/zinc/11/32/04/1087113204.db2.gz VZHNSWCSHMPUSW-QLFBSQMISA-N 1 0 311.470 2.364 10 0 DEAERO Ic1cccc(C[NH2+][C@]23C[C@H]2COC3)c1 ZINC000718039872 1087739625 /nfs/dbraw/zinc/73/96/25/1087739625.db2.gz AJUSLCGFLVIYJC-JQWIXIFHSA-N 1 0 315.154 2.170 10 0 DEAERO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(Br)cn1 ZINC000718397928 1088505107 /nfs/dbraw/zinc/50/51/07/1088505107.db2.gz LGVBXJSJVGQTJR-SILCLGDVSA-N 1 0 312.211 2.149 10 0 DEAERO CO[C@@]1(C[NH2+]Cc2cncc(Br)c2)CCSC1 ZINC000719317365 1088935760 /nfs/dbraw/zinc/93/57/60/1088935760.db2.gz YGJBVKYQHZJHBS-GFCCVEGCSA-N 1 0 317.252 2.456 10 0 DEAERO Cc1n[nH]cc1CCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000136667136 282089003 /nfs/dbraw/zinc/08/90/03/282089003.db2.gz ZYIUXZNRKVPWHJ-UHFFFAOYSA-N 1 0 321.469 2.070 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1SCCS(C)(=O)=O ZINC000081768886 192322994 /nfs/dbraw/zinc/32/29/94/192322994.db2.gz KWPFSCMEIFBMJX-LSDHHAIUSA-N 1 0 313.488 2.430 10 0 DEAERO CCC[NH2+][C@H]1c2ccccc2C[C@H]1SCCS(C)(=O)=O ZINC000081769128 192323046 /nfs/dbraw/zinc/32/30/46/192323046.db2.gz WOBHRWITSWYJNV-CABCVRRESA-N 1 0 313.488 2.430 10 0 DEAERO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134497290 282097189 /nfs/dbraw/zinc/09/71/89/282097189.db2.gz JWDKGDJLBYCBLN-AWEZNQCLSA-N 1 0 316.405 2.013 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCCOCCc1ccccc1 ZINC000139766039 282102149 /nfs/dbraw/zinc/10/21/49/282102149.db2.gz ORIIZTPIUHCPMP-KRWDZBQOSA-N 1 0 319.449 2.029 10 0 DEAERO CCOC(=O)CSC[C@@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000081795635 192324216 /nfs/dbraw/zinc/32/42/16/192324216.db2.gz AOQCCSFAHXLAFG-CYBMUJFWSA-N 1 0 313.419 2.261 10 0 DEAERO C[NH2+][C@H](CSc1nnnn1C)C12CC3CC(CC(C3)C1)C2 ZINC000081845568 192331773 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C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc(F)cc(C(N)=S)c1)C2 ZINC000163119434 197612659 /nfs/dbraw/zinc/61/26/59/197612659.db2.gz NMLOLYAUFRUVMP-LSDHHAIUSA-N 1 0 307.438 2.128 10 0 DEAERO COc1ccc(S(=O)(=O)C[C@H]([NH3+])c2ccccc2C)cc1 ZINC000081923229 192340535 /nfs/dbraw/zinc/34/05/35/192340535.db2.gz SXWXILPHXJEOFH-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)CCCCCC[NH3+] ZINC000162956112 197602934 /nfs/dbraw/zinc/60/29/34/197602934.db2.gz LGVNDKUCKMMJIL-ZDUSSCGKSA-N 1 0 307.442 2.262 10 0 DEAERO COCCn1ncc(Br)c1[C@@]1(C)CC[C@@H]([NH3+])C1 ZINC000163306356 197622616 /nfs/dbraw/zinc/62/26/16/197622616.db2.gz JJGNNQCLLLYLBJ-SKDRFNHKSA-N 1 0 302.216 2.061 10 0 DEAERO NC(=[NH2+])c1ccc(S(=O)(=O)CCSC2CCCC2)cc1 ZINC000163317924 197623835 /nfs/dbraw/zinc/62/38/35/197623835.db2.gz XPGSZGZWLRKEPG-UHFFFAOYSA-N 1 0 312.460 2.420 10 0 DEAERO CC[NH+](CC)CCOCC(C)(C)N1C(=O)c2ccccc2C1=O ZINC000096777633 185387143 /nfs/dbraw/zinc/38/71/43/185387143.db2.gz SUQVBBHLNGLGJL-UHFFFAOYSA-N 1 0 318.417 2.420 10 0 DEAERO COCCCN(CCOC)[C@H](C[NH3+])c1ccc(F)c(Cl)c1 ZINC000163818446 197650679 /nfs/dbraw/zinc/65/06/79/197650679.db2.gz DBGVBCIOKGKLFP-OAHLLOKOSA-N 1 0 318.820 2.464 10 0 DEAERO Cn1ncc(Br)c1C(=O)CCC1CC[NH2+]CC1 ZINC000164197076 197652639 /nfs/dbraw/zinc/65/26/39/197652639.db2.gz GJELAQCROLJJKY-UHFFFAOYSA-N 1 0 300.200 2.145 10 0 DEAERO CC[C@@H]([NH3+])[C@H](C)S(=O)(=O)c1ccc(Br)cc1 ZINC000081933363 192341700 /nfs/dbraw/zinc/34/17/00/192341700.db2.gz MOVUGOIGTAQIDA-GZMMTYOYSA-N 1 0 306.225 2.349 10 0 DEAERO CCC[NH2+]Cc1nnnn1-c1ccc(F)c(Br)c1 ZINC000164505995 197654864 /nfs/dbraw/zinc/65/48/64/197654864.db2.gz ZMDAEZOKARAJRK-UHFFFAOYSA-N 1 0 314.162 2.064 10 0 DEAERO CS[C@@H]1C[NH2+]C[C@H]1N1CCN(c2cccc(C)c2C)CC1 ZINC000164508884 197655202 /nfs/dbraw/zinc/65/52/02/197655202.db2.gz SLNFKLRNWRLYGP-IAGOWNOFSA-N 1 0 305.491 2.129 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)N[C@H]2CCCc3sccc32)CCO1 ZINC000136621958 282137602 /nfs/dbraw/zinc/13/76/02/282137602.db2.gz HBUFQKFJUOQOCD-JSGCOSHPSA-N 1 0 323.462 2.098 10 0 DEAERO CC1(C)CN(Cc2cc(Cl)cc3c2OCC3)C[C@@H](C[NH3+])O1 ZINC000164537378 197655609 /nfs/dbraw/zinc/65/56/09/197655609.db2.gz AQBPGMUNGBSUNN-CQSZACIVSA-N 1 0 310.825 2.213 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(OC(C)(C)C)cc2)CCO1 ZINC000176059604 282139568 /nfs/dbraw/zinc/13/95/68/282139568.db2.gz KGZKKQNJHZFOFG-INIZCTEOSA-N 1 0 320.433 2.267 10 0 DEAERO CCOC(=O)[C@](C)(c1ccc(F)cc1Cl)N1CC[NH2+]CC1 ZINC000078901500 185126349 /nfs/dbraw/zinc/12/63/49/185126349.db2.gz RTAQUHUFCDXYLO-HNNXBMFYSA-N 1 0 314.788 2.163 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)CCOC)c1ccc(C(C)(C)C)cc1 ZINC000081943406 192344377 /nfs/dbraw/zinc/34/43/77/192344377.db2.gz BDHFMOAAIQXDRQ-OAHLLOKOSA-N 1 0 313.463 2.306 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)CCOC)c1cc(C)ccc1C ZINC000081943237 192344392 /nfs/dbraw/zinc/34/43/92/192344392.db2.gz HHHZUAVIUPVKNG-MRXNPFEDSA-N 1 0 313.463 2.405 10 0 DEAERO C[C@H](CC[NH3+])CCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000079118487 185159361 /nfs/dbraw/zinc/15/93/61/185159361.db2.gz KLKMJXFPYRIGKV-RRFJBIMHSA-N 1 0 314.495 2.265 10 0 DEAERO CN(CCC(N)=S)C(=O)C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000079342518 185165818 /nfs/dbraw/zinc/16/58/18/185165818.db2.gz NOJPUQWUAMCLNG-ZDUSSCGKSA-N 1 0 313.511 2.269 10 0 DEAERO CCC[C@H](CC[NH3+])CCC(=O)N[C@H](CC(C)C)C(=O)OC ZINC000079237531 185162009 /nfs/dbraw/zinc/16/20/09/185162009.db2.gz YWVOJMLGCIFECX-UONOGXRCSA-N 1 0 300.443 2.236 10 0 DEAERO CCC[C@H](CC[NH3+])CCC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC ZINC000079237782 185162159 /nfs/dbraw/zinc/16/21/59/185162159.db2.gz FQHSXPBAKFPHLR-KCQAQPDRSA-N 1 0 300.443 2.236 10 0 DEAERO C[NH2+][C@](CSc1ncccc1Cl)(C(N)=O)c1ccccc1 ZINC000079449119 185172221 /nfs/dbraw/zinc/17/22/21/185172221.db2.gz HCLHYLAMKGBNFI-HNNXBMFYSA-N 1 0 321.833 2.427 10 0 DEAERO CC(C)COC1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000079391448 185168039 /nfs/dbraw/zinc/16/80/39/185168039.db2.gz NFNKTXHZLSCOAO-OAHLLOKOSA-N 1 0 311.422 2.294 10 0 DEAERO CN1C[C@H]([NH2+]Cc2sccc2Br)CCC1=O ZINC000082756944 185202346 /nfs/dbraw/zinc/20/23/46/185202346.db2.gz PUKNWAOEXRJHFL-MRVPVSSYSA-N 1 0 303.225 2.221 10 0 DEAERO CCOc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000153713710 282173005 /nfs/dbraw/zinc/17/30/05/282173005.db2.gz CGDYNRCQEKSTER-UKRRQHHQSA-N 1 0 318.421 2.428 10 0 DEAERO C[NH2+][C@@](C)(CO)CCSc1ccc(Br)cn1 ZINC000082905395 185209504 /nfs/dbraw/zinc/20/95/04/185209504.db2.gz KRQJRQOWBNVZMM-LLVKDONJSA-N 1 0 305.241 2.297 10 0 DEAERO C[C@@H](C[C@](C)([NH3+])CO)Sc1ccc(Br)cn1 ZINC000082905391 185209634 /nfs/dbraw/zinc/20/96/34/185209634.db2.gz VIQYRORYJYBIGY-KWQFWETISA-N 1 0 305.241 2.425 10 0 DEAERO CC[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(OC)cc1 ZINC000170826276 282180476 /nfs/dbraw/zinc/18/04/76/282180476.db2.gz HKHMJPCZIRWQJJ-HOCLYGCPSA-N 1 0 305.422 2.492 10 0 DEAERO C[C@@H]1CN(c2ccc(I)cc2)CC[NH2+]1 ZINC000083061258 185212453 /nfs/dbraw/zinc/21/24/53/185212453.db2.gz HYFIOWHWRGWPRV-SECBINFHSA-N 1 0 302.159 2.089 10 0 DEAERO C[C@H](c1nc(-c2cncc(Br)c2)no1)C1C[NH2+]C1 ZINC000165395924 197674841 /nfs/dbraw/zinc/67/48/41/197674841.db2.gz GRKMBMXKPZGBEP-ZETCQYMHSA-N 1 0 309.167 2.217 10 0 DEAERO Ic1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)o1 ZINC000087790698 185232009 /nfs/dbraw/zinc/23/20/09/185232009.db2.gz MAMODGPJHSLBAN-JEZHCXPESA-N 1 0 319.142 2.294 10 0 DEAERO CC[C@H](C[NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000087532712 185227771 /nfs/dbraw/zinc/22/77/71/185227771.db2.gz JGNNPQAPTSYPRR-SECBINFHSA-N 1 0 310.419 2.337 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](C(=O)NCc2sccc2Br)C1 ZINC000087575769 185228766 /nfs/dbraw/zinc/22/87/66/185228766.db2.gz HKJIOVIYCKSUFY-JGVFFNPUSA-N 1 0 301.209 2.030 10 0 DEAERO CC1(C)CCCN(S(=O)(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC000087658803 185229944 /nfs/dbraw/zinc/22/99/44/185229944.db2.gz KHHNDCIJEDZVTG-UHFFFAOYSA-N 1 0 310.463 2.389 10 0 DEAERO CCc1c(Oc2cncc(Br)c2)nc[nH+]c1NN ZINC000087890561 185234629 /nfs/dbraw/zinc/23/46/29/185234629.db2.gz DVQVRULNUXYGKB-UHFFFAOYSA-N 1 0 310.155 2.274 10 0 DEAERO CCC[NH2+]C[C@@H]1CC[C@@H]1n1cc(I)cn1 ZINC000087923947 185237659 /nfs/dbraw/zinc/23/76/59/185237659.db2.gz POGFUPAAPIUGME-ONGXEEELSA-N 1 0 319.190 2.438 10 0 DEAERO COc1ccc(Br)c(C[S@@](=O)C[C@@H](C)[NH3+])c1 ZINC000088069757 185238617 /nfs/dbraw/zinc/23/86/17/185238617.db2.gz ZICNZYYTURKBEQ-VPTHRUTESA-N 1 0 306.225 2.054 10 0 DEAERO COc1ccc(Br)cc1C[S@@](=O)C[C@H](C)[NH3+] ZINC000088069486 185238761 /nfs/dbraw/zinc/23/87/61/185238761.db2.gz NGWHHFGMGNNYPG-ZKANADHPSA-N 1 0 306.225 2.054 10 0 DEAERO COc1ccc(Br)c(Cn2c(C)ncc2C[NH3+])c1 ZINC000087799529 185232348 /nfs/dbraw/zinc/23/23/48/185232348.db2.gz DNXPFGDLBMVQHG-UHFFFAOYSA-N 1 0 310.195 2.470 10 0 DEAERO COc1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1C(N)=S ZINC000087832512 185232482 /nfs/dbraw/zinc/23/24/82/185232482.db2.gz SZBHBYCUVPLGGV-CYBMUJFWSA-N 1 0 308.447 2.330 10 0 DEAERO CCN(Cc1ccco1)c1nc(NN)[nH+]cc1Br ZINC000087864206 185233861 /nfs/dbraw/zinc/23/38/61/185233861.db2.gz XHCXDZRDFZZBDB-UHFFFAOYSA-N 1 0 312.171 2.144 10 0 DEAERO C[NH2+][C@@H](c1cc(Cl)cnc1N)[C@H]1COc2ccccc2O1 ZINC000087859523 185233993 /nfs/dbraw/zinc/23/39/93/185233993.db2.gz HSFAEDOILDYFRR-KGLIPLIRSA-N 1 0 305.765 2.418 10 0 DEAERO CC[C@@]1(C)CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCO1 ZINC000188224374 529529642 /nfs/dbraw/zinc/52/96/42/529529642.db2.gz IKCUYVDOUSRYAC-DQPZFDDXSA-N 1 0 311.470 2.317 10 0 DEAERO NC(=[NH2+])c1ccc(NS(=O)(=O)CC2CC2)cc1C(F)(F)F ZINC000088191710 185241140 /nfs/dbraw/zinc/24/11/40/185241140.db2.gz UQOLDNCOTBGNDC-UHFFFAOYSA-N 1 0 321.324 2.141 10 0 DEAERO CC(C)CS(=O)(=O)Nc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000088191705 185241163 /nfs/dbraw/zinc/24/11/63/185241163.db2.gz NVYHMOOVIMFFIM-UHFFFAOYSA-N 1 0 323.340 2.387 10 0 DEAERO [NH3+]C1(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000088130838 185240272 /nfs/dbraw/zinc/24/02/72/185240272.db2.gz NGJODTBBWARWGC-UHFFFAOYSA-N 1 0 301.371 2.430 10 0 DEAERO [NH3+]C1(C(=O)N(Cc2ccccc2Br)C2CC2)CC1 ZINC000088130457 185240436 /nfs/dbraw/zinc/24/04/36/185240436.db2.gz WQXXUFHZRRTPHV-UHFFFAOYSA-N 1 0 309.207 2.431 10 0 DEAERO CC1(C)C[NH2+]CCN1CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000088139985 185240563 /nfs/dbraw/zinc/24/05/63/185240563.db2.gz XXMQOMQMIJKDEG-CYBMUJFWSA-N 1 0 307.463 2.095 10 0 DEAERO c1cn([C@@H]2COC[C@@H]2[NH2+]Cc2cnc(C3CCCC3)s2)nn1 ZINC000328948184 231396549 /nfs/dbraw/zinc/39/65/49/231396549.db2.gz MWBFBLMJTJPIIU-UONOGXRCSA-N 1 0 319.434 2.122 10 0 DEAERO CCOC(=O)[C@](C)(CC[N@H+](C)CCC(F)(F)F)NC1CC1 ZINC000088434618 185249955 /nfs/dbraw/zinc/24/99/55/185249955.db2.gz VZVFUUUMQRDBMV-ZDUSSCGKSA-N 1 0 310.360 2.335 10 0 DEAERO CC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC000088435282 185250528 /nfs/dbraw/zinc/25/05/28/185250528.db2.gz WIGKFVYBLSYTQA-AAEUAGOBSA-N 1 0 310.360 2.494 10 0 DEAERO CC[C@H](C)CN(C)S(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088543751 185256807 /nfs/dbraw/zinc/25/68/07/185256807.db2.gz PRFCZSAXVGLQAR-LBPRGKRZSA-N 1 0 302.440 2.444 10 0 DEAERO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088541003 185255646 /nfs/dbraw/zinc/25/56/46/185255646.db2.gz KQHJLMZWLLCKLE-NEPJUHHUSA-N 1 0 302.440 2.444 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000088540915 185255830 /nfs/dbraw/zinc/25/58/30/185255830.db2.gz WKOBFRNXWVLSIQ-GRYCIOLGSA-N 1 0 300.424 2.102 10 0 DEAERO CC[C@H](C)[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088542943 185256455 /nfs/dbraw/zinc/25/64/55/185256455.db2.gz AJTHHDFXRQWKJC-RYUDHWBXSA-N 1 0 302.440 2.491 10 0 DEAERO CCC[C@@H]([NH3+])CS(=O)(=O)c1cccc(Br)c1 ZINC000081982567 192348742 /nfs/dbraw/zinc/34/87/42/192348742.db2.gz DLJFDWCWKHSAQF-SNVBAGLBSA-N 1 0 306.225 2.350 10 0 DEAERO C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)C1 ZINC000088704765 185262745 /nfs/dbraw/zinc/26/27/45/185262745.db2.gz NVFOBKMUDIOJJC-GHMZBOCLSA-N 1 0 300.399 2.094 10 0 DEAERO CCOc1ccc([C@H](C)[NH3+])cc1CS(=O)(=O)CCCOC ZINC000081986237 192348916 /nfs/dbraw/zinc/34/89/16/192348916.db2.gz QWMJIRJKPOMORL-LBPRGKRZSA-N 1 0 315.435 2.056 10 0 DEAERO CC(C)CCCNS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088550712 185257548 /nfs/dbraw/zinc/25/75/48/185257548.db2.gz BHBPGQIYJDAWLM-UHFFFAOYSA-N 1 0 302.440 2.492 10 0 DEAERO C[N@@H+]1CC[C@H](CNC(=O)c2sc3ccc(F)cc3c2N)C1 ZINC000088640956 185260847 /nfs/dbraw/zinc/26/08/47/185260847.db2.gz XLTHIKGPTFUSJZ-SECBINFHSA-N 1 0 307.394 2.304 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2sc3ncccc3c2N)C1 ZINC000088641884 185261074 /nfs/dbraw/zinc/26/10/74/185261074.db2.gz MEKJCWGCKYATPS-JTQLQIEISA-N 1 0 304.419 2.093 10 0 DEAERO Nc1c2cc(F)ccc2sc1C(=O)NCC[NH+]1CCCC1 ZINC000088643150 185261180 /nfs/dbraw/zinc/26/11/80/185261180.db2.gz AANACIUDSXTVHX-UHFFFAOYSA-N 1 0 307.394 2.448 10 0 DEAERO CN1C(=O)C[C@@H]([NH2+][C@@H](Cc2cccs2)c2cccs2)C1=O ZINC000088774510 185265239 /nfs/dbraw/zinc/26/52/39/185265239.db2.gz MSJYQPAKAPNKPO-NWDGAFQWSA-N 1 0 320.439 2.440 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)Cc1cccc(C)c1 ZINC000081984204 192349870 /nfs/dbraw/zinc/34/98/70/192349870.db2.gz KQIAAIGUNMCLRT-CVEARBPZSA-N 1 0 311.447 2.067 10 0 DEAERO c1cnn(C[C@H]([NH2+]CCOC2CCOCC2)c2ccccc2)c1 ZINC000625254099 365698600 /nfs/dbraw/zinc/69/86/00/365698600.db2.gz HYTKHJOWOUTKNQ-SFHVURJKSA-N 1 0 315.417 2.410 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)C1CCOCC1)c1ccccc1C ZINC000081990087 192350786 /nfs/dbraw/zinc/35/07/86/192350786.db2.gz ZBUSEXNMJPJDLQ-INIZCTEOSA-N 1 0 311.447 2.239 10 0 DEAERO C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000081990336 192350877 /nfs/dbraw/zinc/35/08/77/192350877.db2.gz TUIIUCCPSKZASV-CJNGLKHVSA-N 1 0 311.447 2.238 10 0 DEAERO C[NH2+][C@@H](C[S@](=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000082000992 192352896 /nfs/dbraw/zinc/35/28/96/192352896.db2.gz UDXAHIFXYZRDNW-LHSJRXKWSA-N 1 0 303.383 2.484 10 0 DEAERO COC(C[C@@](C)(C[NH3+])N(C)Cc1ccccc1Cl)OC ZINC000090265796 185288514 /nfs/dbraw/zinc/28/85/14/185288514.db2.gz MIGKRRDYRPDXSS-HNNXBMFYSA-N 1 0 300.830 2.498 10 0 DEAERO CC(C)[NH2+]Cc1cn(-c2c3nsnc3ccc2Cl)nn1 ZINC000090300315 185289782 /nfs/dbraw/zinc/28/97/82/185289782.db2.gz JRSCRSUVVKCXRJ-UHFFFAOYSA-N 1 0 308.798 2.423 10 0 DEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Br)cc1 ZINC000090325176 185291142 /nfs/dbraw/zinc/29/11/42/185291142.db2.gz RSERZTWVFPZTHM-IRUJWGPZSA-N 1 0 309.207 2.129 10 0 DEAERO COc1cc(Cl)ccc1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1(C)C ZINC000090336101 185291554 /nfs/dbraw/zinc/29/15/54/185291554.db2.gz VNIUAXXUNCBHPB-GXFFZTMASA-N 1 0 308.809 2.419 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1CC(=O)Nc1cccc(Cl)c1 ZINC000090337925 185291743 /nfs/dbraw/zinc/29/17/43/185291743.db2.gz NKEFSPUUYMOYHZ-FZMZJTMJSA-N 1 0 307.825 2.208 10 0 DEAERO C[C@@H]1[C@H](C)OCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179259965 282221587 /nfs/dbraw/zinc/22/15/87/282221587.db2.gz WDBPVGRITHZDFY-YALNPMBYSA-N 1 0 317.433 2.251 10 0 DEAERO CN(Cc1cccc(Br)c1)[C@H](C[NH3+])c1cncn1C ZINC000090167503 185284479 /nfs/dbraw/zinc/28/44/79/185284479.db2.gz CXOVHQFLZUCRKG-CYBMUJFWSA-N 1 0 323.238 2.314 10 0 DEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000090487244 185298761 /nfs/dbraw/zinc/29/87/61/185298761.db2.gz JGJQOFHDXATMSI-MFKMUULPSA-N 1 0 312.797 2.220 10 0 DEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000090487340 185298890 /nfs/dbraw/zinc/29/88/90/185298890.db2.gz CYNCWAMXDSQKLD-PWSUYJOCSA-N 1 0 305.403 2.168 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000090487338 185298916 /nfs/dbraw/zinc/29/89/16/185298916.db2.gz CYNCWAMXDSQKLD-ZYHUDNBSSA-N 1 0 305.403 2.168 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1OCC ZINC000090489815 185299089 /nfs/dbraw/zinc/29/90/89/185299089.db2.gz GEJZWFPAJOPMBV-AAEUAGOBSA-N 1 0 312.797 2.302 10 0 DEAERO C[C@@H]1COC[C@@H]([C@@H]2Cc3cc(Br)ccc3C2=O)[NH2+]1 ZINC000166281605 197691109 /nfs/dbraw/zinc/69/11/09/197691109.db2.gz JUPOOLLXJNBQGN-JCOFBHIZSA-N 1 0 310.191 2.181 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000090379822 185293415 /nfs/dbraw/zinc/29/34/15/185293415.db2.gz UGHDQSIRUPYDLE-HTQZYQBOSA-N 1 0 306.309 2.211 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000090432829 185296441 /nfs/dbraw/zinc/29/64/41/185296441.db2.gz BSUFMSHNAATDRM-MNOVXSKESA-N 1 0 302.346 2.174 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090590625 185305528 /nfs/dbraw/zinc/30/55/28/185305528.db2.gz KLXXUPLFZAKYQO-MFKMUULPSA-N 1 0 302.827 2.114 10 0 DEAERO CC[C@@H]([NH3+])C[S@@](=O)CCOc1cccc(Br)c1 ZINC000166716667 197697558 /nfs/dbraw/zinc/69/75/58/197697558.db2.gz WGMXTNIXWHMXAF-PIGZYNQJSA-N 1 0 320.252 2.314 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000090539608 185301622 /nfs/dbraw/zinc/30/16/22/185301622.db2.gz WRMPYEAVMQVUDA-MFKMUULPSA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000090544855 185302226 /nfs/dbraw/zinc/30/22/26/185302226.db2.gz IOWKCKSYLSOFIY-BXKDBHETSA-N 1 0 302.296 2.057 10 0 DEAERO C[C@@]1(c2nc(CSc3ccc(F)cc3)no2)COC[C@@H]1[NH3+] ZINC000090574267 185304376 /nfs/dbraw/zinc/30/43/76/185304376.db2.gz UGUUTVYVGAYYDM-SMDDNHRTSA-N 1 0 309.366 2.116 10 0 DEAERO C[C@@]1(C(=O)Nc2nc3ccc(Cl)cc3s2)COC[C@H]1[NH3+] ZINC000090580321 185304762 /nfs/dbraw/zinc/30/47/62/185304762.db2.gz LFBCPXSGCSWRBI-ZWNOBZJWSA-N 1 0 311.794 2.252 10 0 DEAERO [NH3+]C[C@H](Cc1cccc(F)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000166712804 197696531 /nfs/dbraw/zinc/69/65/31/197696531.db2.gz GLOVWBPKWANUSB-MNOVXSKESA-N 1 0 305.802 2.031 10 0 DEAERO Cc1noc(C)c1C(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700908 185310484 /nfs/dbraw/zinc/31/04/84/185310484.db2.gz RHRQERZSHCTBBO-AWEZNQCLSA-N 1 0 323.462 2.335 10 0 DEAERO [NH3+]CCOc1cccc(Nc2ncncc2Br)c1 ZINC000090781662 185311901 /nfs/dbraw/zinc/31/19/01/185311901.db2.gz DWVWIEORCNVNBN-UHFFFAOYSA-N 1 0 309.167 2.320 10 0 DEAERO COC(C[C@H](C[NH3+])Nc1ccccc1Br)OC ZINC000090625443 185307176 /nfs/dbraw/zinc/30/71/76/185307176.db2.gz MVNYPSVNABFXEZ-SECBINFHSA-N 1 0 303.200 2.197 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Cc1c(Br)c(C)nn1CC ZINC000167241581 197705077 /nfs/dbraw/zinc/70/50/77/197705077.db2.gz IVJSQIJJVOTIIP-AMIZOPFISA-N 1 0 316.243 2.459 10 0 DEAERO CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1S(=O)(=O)C(C)C ZINC000092388717 185315470 /nfs/dbraw/zinc/31/54/70/185315470.db2.gz LTHAXVYQLVLWGJ-CVEARBPZSA-N 1 0 311.447 2.484 10 0 DEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1Sc1nncn1C ZINC000092389748 185315620 /nfs/dbraw/zinc/31/56/20/185315620.db2.gz ODKFEHRHCSHKLK-KBPBESRZSA-N 1 0 304.419 2.191 10 0 DEAERO CCOCC[NH+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179969612 282235355 /nfs/dbraw/zinc/23/53/55/282235355.db2.gz WSDDIPJNTCJRJN-UHFFFAOYSA-N 1 0 314.433 2.231 10 0 DEAERO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CCN(C(N)=O)CC1 ZINC000167312398 197706623 /nfs/dbraw/zinc/70/66/23/197706623.db2.gz NBYJQZCPKXJBFX-CQSZACIVSA-N 1 0 317.433 2.248 10 0 DEAERO COCC[NH2+]CC(=O)Nc1ccc2nc(SC)sc2c1 ZINC000092495365 185322428 /nfs/dbraw/zinc/32/24/28/185322428.db2.gz AFJUSPYQGGVVJC-UHFFFAOYSA-N 1 0 311.432 2.193 10 0 DEAERO CCCCN1CCOC[C@H]1C(=O)NCc1ccc(F)c(C)c1 ZINC000184209980 282247651 /nfs/dbraw/zinc/24/76/51/282247651.db2.gz ASYAAAGXWDYYGW-INIZCTEOSA-N 1 0 308.397 2.251 10 0 DEAERO Nc1nc2cc(Br)cnc2n1CCC[NH+]1CCCC1 ZINC000092575894 185326825 /nfs/dbraw/zinc/32/68/25/185326825.db2.gz CPRVZPJUNNJTGD-UHFFFAOYSA-N 1 0 324.226 2.262 10 0 DEAERO C[N@@H+]1CCC[C@H](Cn2c(N)nc3cc(Br)cnc32)C1 ZINC000092575651 185326826 /nfs/dbraw/zinc/32/68/26/185326826.db2.gz REQXFZOQAYEGES-VIFPVBQESA-N 1 0 324.226 2.118 10 0 DEAERO Nc1nc2cc(Br)cnc2n1[C@H]1C[NH+]2CCC1CC2 ZINC000092575097 185326893 /nfs/dbraw/zinc/32/68/93/185326893.db2.gz UOFXLGHDDNVCEM-NSHDSACASA-N 1 0 322.210 2.043 10 0 DEAERO COCOc1ccc(OC)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092616182 185329195 /nfs/dbraw/zinc/32/91/95/185329195.db2.gz SLXQDFIOCGMRHU-MRXNPFEDSA-N 1 0 320.433 2.348 10 0 DEAERO C[NH2+]Cc1sccc1S(=O)(=O)NCC1C(C)(C)C1(C)C ZINC000092833119 185344915 /nfs/dbraw/zinc/34/49/15/185344915.db2.gz ZEVLLGYJUPOIEG-UHFFFAOYSA-N 1 0 316.492 2.428 10 0 DEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000181399772 199290729 /nfs/dbraw/zinc/29/07/29/199290729.db2.gz YGIZUKBSADCLEB-XDTLVQLUSA-N 1 0 300.196 2.250 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092955864 185350478 /nfs/dbraw/zinc/35/04/78/185350478.db2.gz MVLKNWLJWXRRIG-KOLCDFICSA-N 1 0 310.419 2.424 10 0 DEAERO COC1(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCC1 ZINC000181494996 199306149 /nfs/dbraw/zinc/30/61/49/199306149.db2.gz UILKUJBDLKPGMQ-HOTGVXAUSA-N 1 0 317.433 2.300 10 0 DEAERO COC[C@H]1CCN(c2cccc(Br)c2C(N)=[NH2+])C1 ZINC000168955289 197731899 /nfs/dbraw/zinc/73/18/99/197731899.db2.gz ZMNIWWDVVNHGTK-VIFPVBQESA-N 1 0 312.211 2.206 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(S(N)(=O)=O)cc1 ZINC000036954909 539334903 /nfs/dbraw/zinc/33/49/03/539334903.db2.gz DYKRVXSUSZVVNO-NEPJUHHUSA-N 1 0 305.403 2.141 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCOCC(F)(F)C(F)F ZINC000189496032 282311289 /nfs/dbraw/zinc/31/12/89/282311289.db2.gz FEQDLOKWXXGMLL-NSHDSACASA-N 1 0 300.340 2.320 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCS[C@@H](C)CC1 ZINC000192257555 282340312 /nfs/dbraw/zinc/34/03/12/282340312.db2.gz FRVILQAKINOQKE-KBPBESRZSA-N 1 0 301.500 2.500 10 0 DEAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000195296429 530006352 /nfs/dbraw/zinc/00/63/52/530006352.db2.gz AMHPTOFFPUVIPX-SFHVURJKSA-N 1 0 303.450 2.262 10 0 DEAERO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000292830201 530065149 /nfs/dbraw/zinc/06/51/49/530065149.db2.gz ALAGTVUCJXLSTD-SFHVURJKSA-N 1 0 311.433 2.185 10 0 DEAERO C[NH+]1CCC(NC(=O)N[C@H]2CCCc3c(O)cccc32)CC1 ZINC000190445996 530050329 /nfs/dbraw/zinc/05/03/29/530050329.db2.gz UUKUKKINZPGGQQ-HNNXBMFYSA-N 1 0 303.406 2.163 10 0 DEAERO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000299744882 530052597 /nfs/dbraw/zinc/05/25/97/530052597.db2.gz VFQKPPDNJGIKNA-ULQDDVLXSA-N 1 0 302.418 2.365 10 0 DEAERO CC(C)OC[C@@H](O)C[NH2+]Cc1sccc1Br ZINC000087575536 539407946 /nfs/dbraw/zinc/40/79/46/539407946.db2.gz WGARKGOPKSRUPA-VIFPVBQESA-N 1 0 308.241 2.386 10 0 DEAERO CCc1ccc(OCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000195039567 282367040 /nfs/dbraw/zinc/36/70/40/282367040.db2.gz XCFMPSSJZWEARQ-INIZCTEOSA-N 1 0 302.418 2.325 10 0 DEAERO C[C@H](CCc1ccc(O)cc1)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000195124554 282368942 /nfs/dbraw/zinc/36/89/42/282368942.db2.gz LXGIIBZLDANGQE-HIFRSBDPSA-N 1 0 305.422 2.107 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2ccoc2)no1 ZINC000245429733 282387179 /nfs/dbraw/zinc/38/71/79/282387179.db2.gz NGGJEIIUPXBHQC-KGLIPLIRSA-N 1 0 302.378 2.388 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(CC(C)C)C1CC1 ZINC000245425902 282387208 /nfs/dbraw/zinc/38/72/08/282387208.db2.gz KWYNEQMYYQRIJE-RDJZCZTQSA-N 1 0 307.482 2.192 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(CC(C)C)C2CC2)[C@@H](C)C1 ZINC000245440747 282388954 /nfs/dbraw/zinc/38/89/54/282388954.db2.gz UVWQXNWOWKRIPP-DOTOQJQBSA-N 1 0 309.498 2.296 10 0 DEAERO Cc1cc(C)n(CCCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000245586995 282398748 /nfs/dbraw/zinc/39/87/48/282398748.db2.gz AMOPTIJKJPFUCE-GOEBONIOSA-N 1 0 321.469 2.014 10 0 DEAERO CN(Cc1ccccc1OC(F)(F)F)C[C@@H]1C[NH2+]CCO1 ZINC000125419216 539473032 /nfs/dbraw/zinc/47/30/32/539473032.db2.gz QVDKHGRKJFHOQY-LBPRGKRZSA-N 1 0 304.312 2.005 10 0 DEAERO CC[N@@H+]1CCN(C(=O)CC2(CC(=O)OC)CCCC2)C[C@@H]1C ZINC000615570518 362642938 /nfs/dbraw/zinc/64/29/38/362642938.db2.gz OKKLAPYHRXRZSQ-AWEZNQCLSA-N 1 0 310.438 2.053 10 0 DEAERO CCOc1ccc2nc(NC(=O)[C@H]3C[NH2+]C[C@@H]3C)sc2c1 ZINC000111263113 185567277 /nfs/dbraw/zinc/56/72/77/185567277.db2.gz DCVPCYJCURKPIO-ONGXEEELSA-N 1 0 305.403 2.489 10 0 DEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1OCC(F)(F)F ZINC000111265417 185568162 /nfs/dbraw/zinc/56/81/62/185568162.db2.gz SPYBFCRHLXGEBJ-VHSXEESVSA-N 1 0 302.296 2.422 10 0 DEAERO C[C@H](NC(=O)NCC[NH+](C)C)c1cccc(Br)c1 ZINC000133414723 539507212 /nfs/dbraw/zinc/50/72/12/539507212.db2.gz XBEUGAWZLMSSBE-JTQLQIEISA-N 1 0 314.227 2.371 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC000181971701 199369067 /nfs/dbraw/zinc/36/90/67/199369067.db2.gz ZCEWSLBHNYQRET-OAHLLOKOSA-N 1 0 315.797 2.004 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](O)c1cccc(C)c1 ZINC000121356709 185786684 /nfs/dbraw/zinc/78/66/84/185786684.db2.gz ONIRDOLIPWKKMJ-GOEBONIOSA-N 1 0 307.438 2.058 10 0 DEAERO CC[N@H+](CCc1nccs1)Cc1cc(=O)n2ccsc2n1 ZINC000159281814 539581029 /nfs/dbraw/zinc/58/10/29/539581029.db2.gz RQKJYIHVNFQVGY-UHFFFAOYSA-N 1 0 320.443 2.277 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)c1ccc(Br)c(F)c1 ZINC000070120376 190858783 /nfs/dbraw/zinc/85/87/83/190858783.db2.gz FNHLZMGHWRWFOU-SNVBAGLBSA-N 1 0 315.186 2.460 10 0 DEAERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000170846878 539615367 /nfs/dbraw/zinc/61/53/67/539615367.db2.gz FVTQKPPOCMRLLC-AEFFLSMTSA-N 1 0 301.386 2.058 10 0 DEAERO CC(C)(C)OC(=O)Nc1ccc([C@H]2COCCN2CC[NH3+])cc1 ZINC000616639163 362901962 /nfs/dbraw/zinc/90/19/62/362901962.db2.gz MMCORMQIESCAMP-OAHLLOKOSA-N 1 0 321.421 2.366 10 0 DEAERO CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CN(CC[NH3+])CCO1 ZINC000616648059 362904705 /nfs/dbraw/zinc/90/47/05/362904705.db2.gz LXEOQHYNIQYJIM-HNNXBMFYSA-N 1 0 321.421 2.366 10 0 DEAERO C[NH2+][C@@H]1Cc2ccccc2N(CCNC(=O)OC(C)(C)C)C1 ZINC000616673334 362907211 /nfs/dbraw/zinc/90/72/11/362907211.db2.gz RFZLZNQTAXVPIE-CQSZACIVSA-N 1 0 305.422 2.162 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](c2conn2)C1 ZINC000616629579 362900904 /nfs/dbraw/zinc/90/09/04/362900904.db2.gz SJLVHHWNOMEEAE-LBPRGKRZSA-N 1 0 310.398 2.164 10 0 DEAERO CCc1csc([C@H]2CCCN(C(=O)NC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000333830139 282975360 /nfs/dbraw/zinc/97/53/60/282975360.db2.gz MJUDHIXUHWSVMZ-OLZOCXBDSA-N 1 0 322.478 2.204 10 0 DEAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000180509823 539645702 /nfs/dbraw/zinc/64/57/02/539645702.db2.gz DCDKUAMMJPMEHN-MLGOLLRUSA-N 1 0 300.406 2.068 10 0 DEAERO CCC[C@@H](C[NH2+]CC(C)C)OCCOCCOCCOC ZINC000127098750 185917530 /nfs/dbraw/zinc/91/75/30/185917530.db2.gz PQJWJWQOIKNDKR-INIZCTEOSA-N 1 0 305.459 2.097 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)cc1OC ZINC000180881718 539647559 /nfs/dbraw/zinc/64/75/59/539647559.db2.gz MSBAIZXMCKCYNW-NWDGAFQWSA-N 1 0 315.435 2.035 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)NC(C)(C)C2=O)cc1F ZINC000181342199 539650847 /nfs/dbraw/zinc/65/08/47/539650847.db2.gz TZJNDUUKBRNDCX-NSHDSACASA-N 1 0 307.369 2.115 10 0 DEAERO CCS(=O)(=O)C[C@@H](C)N(C)Cc1cccc2cnccc21 ZINC000183304586 539661129 /nfs/dbraw/zinc/66/11/29/539661129.db2.gz NYCADRMEUCLIFX-CYBMUJFWSA-N 1 0 306.431 2.490 10 0 DEAERO CCC[C@H](NC(=O)C[NH2+][C@@H](C(=O)NC)C(C)C)c1ccccc1 ZINC000183677646 539664601 /nfs/dbraw/zinc/66/46/01/539664601.db2.gz KZNHMKRHHCCJHZ-DOTOQJQBSA-N 1 0 319.449 2.004 10 0 DEAERO CC(C)c1ncc(Cl)c(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000071189342 190940094 /nfs/dbraw/zinc/94/00/94/190940094.db2.gz CZOHWABHEGQMBX-NSHDSACASA-N 1 0 310.829 2.277 10 0 DEAERO Cc1ccc(N[C@H]2CCCOC2)cc1NC(=O)CC[NH+](C)C ZINC000184651936 539669113 /nfs/dbraw/zinc/66/91/13/539669113.db2.gz BETINYAIIOTZQL-HNNXBMFYSA-N 1 0 305.422 2.476 10 0 DEAERO Brc1ccc2c(c1)[C@H]([NH2+]CCc1nnc[nH]1)CCO2 ZINC000080573688 192169087 /nfs/dbraw/zinc/16/90/87/192169087.db2.gz LGXCBYZIYVSSHD-LLVKDONJSA-N 1 0 323.194 2.223 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cnc(N)c(Cl)c1 ZINC000083704128 192379808 /nfs/dbraw/zinc/37/98/08/192379808.db2.gz FVCBUQFTUBHYTQ-CMPLNLGQSA-N 1 0 308.813 2.016 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000333834537 282977178 /nfs/dbraw/zinc/97/71/78/282977178.db2.gz NDJXKAJVWPFXMA-CVEARBPZSA-N 1 0 321.396 2.051 10 0 DEAERO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(CC)s1 ZINC000071330675 190959351 /nfs/dbraw/zinc/95/93/51/190959351.db2.gz ULIFLHQUUMENEE-NSHDSACASA-N 1 0 302.465 2.073 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000194623995 539719030 /nfs/dbraw/zinc/71/90/30/539719030.db2.gz AOUCLKNLOSOYGO-OAHLLOKOSA-N 1 0 315.417 2.028 10 0 DEAERO [NH3+]C[C@@]1(Cc2ccc(I)cc2)CCOC1 ZINC000083851462 192387808 /nfs/dbraw/zinc/38/78/08/192387808.db2.gz ZSNBJNYDQYPOGT-LBPRGKRZSA-N 1 0 317.170 2.199 10 0 DEAERO [NH3+][C@@H](C[S@@](=O)Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000084004306 192395100 /nfs/dbraw/zinc/39/51/00/192395100.db2.gz TYEOPWRJOFTCEF-LHSJRXKWSA-N 1 0 303.383 2.364 10 0 DEAERO CCCC[S@](=O)[C@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000084038485 192396433 /nfs/dbraw/zinc/39/64/33/192396433.db2.gz FSLUTAXUVNQYIR-PJSUUKDQSA-N 1 0 303.468 2.199 10 0 DEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000220526649 539728100 /nfs/dbraw/zinc/72/81/00/539728100.db2.gz RJTJJZDKBWHOJU-KGLIPLIRSA-N 1 0 306.454 2.141 10 0 DEAERO C[C@](C[NH3+])(Nc1nc2ccc(Br)cn2n1)C1CC1 ZINC000130444837 185968097 /nfs/dbraw/zinc/96/80/97/185968097.db2.gz VAYVVQBFTHNDLU-GFCCVEGCSA-N 1 0 310.199 2.031 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)c1cccnc1N)c1ccc(Cl)cc1 ZINC000071700688 191009420 /nfs/dbraw/zinc/00/94/20/191009420.db2.gz RTFMLDDDRNCZKJ-AWEZNQCLSA-N 1 0 318.808 2.350 10 0 DEAERO [NH3+]Cc1ccccc1C(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000071699876 191009465 /nfs/dbraw/zinc/00/94/65/191009465.db2.gz OHFDGVNRWGRBSZ-HNNXBMFYSA-N 1 0 304.777 2.262 10 0 DEAERO O=S(=O)(c1ccc(N[C@H]2CCC[NH2+]CC2)cc1)C(F)F ZINC000133644466 186002712 /nfs/dbraw/zinc/00/27/12/186002712.db2.gz LVXGZEYVENIZBW-JTQLQIEISA-N 1 0 304.362 2.237 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCC(NC(C)=O)CC1 ZINC000133705051 186008639 /nfs/dbraw/zinc/00/86/39/186008639.db2.gz QOCIHWHZHIFPLE-ZBFHGGJFSA-N 1 0 309.479 2.435 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)C2CCCC2)c1 ZINC000138445748 186016855 /nfs/dbraw/zinc/01/68/55/186016855.db2.gz ZGLXSKKEHHCACS-UHFFFAOYSA-N 1 0 318.389 2.247 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCCN1C(=O)CN[C@H]1c1ccsc1 ZINC000138464699 186017215 /nfs/dbraw/zinc/01/72/15/186017215.db2.gz QEJKALRUJZWEPH-CZUORRHYSA-N 1 0 307.463 2.443 10 0 DEAERO CC(C)NS(=O)(=O)CC[NH2+][C@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000246513572 539764723 /nfs/dbraw/zinc/76/47/23/539764723.db2.gz UFCKTVFMDCZQAE-ILXRZTDVSA-N 1 0 304.500 2.365 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000246569603 539765176 /nfs/dbraw/zinc/76/51/76/539765176.db2.gz XJBXRMBMWQGPCQ-BXUZGUMPSA-N 1 0 303.410 2.204 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)Nc1cccc(Br)c1O ZINC000133838839 186013575 /nfs/dbraw/zinc/01/35/75/186013575.db2.gz MXLCLXKWPCAUIC-MRVPVSSYSA-N 1 0 301.184 2.468 10 0 DEAERO C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139159049 186020423 /nfs/dbraw/zinc/02/04/23/186020423.db2.gz KFYMFLWHLAJQDP-VHSXEESVSA-N 1 0 318.389 2.233 10 0 DEAERO Brc1cccnc1-c1noc(CC[C@@H]2CC[NH2+]C2)n1 ZINC000139885866 186024343 /nfs/dbraw/zinc/02/43/43/186024343.db2.gz PQHIHFPVOSAPHH-SECBINFHSA-N 1 0 323.194 2.436 10 0 DEAERO C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ncccc2Br)no1 ZINC000139895834 186024456 /nfs/dbraw/zinc/02/44/56/186024456.db2.gz JKECJZCDLBUROB-HTQZYQBOSA-N 1 0 309.167 2.360 10 0 DEAERO C[NH+](C)CCn1ncc(Cl)c1[C@H](O)CCc1ccncc1 ZINC000140142187 186025061 /nfs/dbraw/zinc/02/50/61/186025061.db2.gz YVJBKCLOJXZDOK-CQSZACIVSA-N 1 0 308.813 2.159 10 0 DEAERO CCCN(CCC)[C@@]1(C[NH3+])CCS(=O)(=O)c2ccccc21 ZINC000147636165 186041021 /nfs/dbraw/zinc/04/10/21/186041021.db2.gz GKEVCLXRXDRDKA-MRXNPFEDSA-N 1 0 310.463 2.140 10 0 DEAERO Cc1cc(OCc2ccc(Br)cc2)nc(NN)[nH+]1 ZINC000147819025 186042019 /nfs/dbraw/zinc/04/20/19/186042019.db2.gz PGZLUDIVJSOCQA-UHFFFAOYSA-N 1 0 309.167 2.412 10 0 DEAERO C[C@@H]1OCC[C@]1(C[NH3+])N(C)Cc1csc(Br)c1 ZINC000147969066 186042320 /nfs/dbraw/zinc/04/23/20/186042320.db2.gz LZMNHQGHPUWZMI-JOYOIKCWSA-N 1 0 319.268 2.449 10 0 DEAERO C[C@@H]1OCC[C@]1(C[NH3+])N(C)Cc1ccc(Br)cc1 ZINC000147945017 186042753 /nfs/dbraw/zinc/04/27/53/186042753.db2.gz QGFDTSMVRCFSIN-SMDDNHRTSA-N 1 0 313.239 2.387 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(SC)cc1 ZINC000145545518 186037373 /nfs/dbraw/zinc/03/73/73/186037373.db2.gz KXMUHTQYUDGMDQ-LBPRGKRZSA-N 1 0 316.492 2.417 10 0 DEAERO COc1ccc2nccc(NC(=O)N3CCC([NH3+])CC3)c2c1 ZINC000145773209 186037989 /nfs/dbraw/zinc/03/79/89/186037989.db2.gz RBHBTOLIMNGIIW-UHFFFAOYSA-N 1 0 300.362 2.198 10 0 DEAERO [NH3+]CCCOC1CCN(c2cc(Cl)nnc2Cl)CC1 ZINC000149489553 186050260 /nfs/dbraw/zinc/05/02/60/186050260.db2.gz RKOHWPTVEKWIBI-UHFFFAOYSA-N 1 0 305.209 2.118 10 0 DEAERO CNc1ncc(Cl)c(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000149638817 186051726 /nfs/dbraw/zinc/05/17/26/186051726.db2.gz BVEAYXHNVJENBK-UHFFFAOYSA-N 1 0 309.845 2.484 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000150200156 186055544 /nfs/dbraw/zinc/05/55/44/186055544.db2.gz BTJIMJMANPMYQZ-OCCSQVGLSA-N 1 0 316.854 2.080 10 0 DEAERO CCCC[C@H](C[NH3+])Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000150335344 186056648 /nfs/dbraw/zinc/05/66/48/186056648.db2.gz JYFMZEYAMZUZRN-CQSZACIVSA-N 1 0 313.467 2.303 10 0 DEAERO CN(Cc1ccsc1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000253269637 539784885 /nfs/dbraw/zinc/78/48/85/539784885.db2.gz ZSIHJDINZZTBLY-WOSRLPQWSA-N 1 0 308.447 2.239 10 0 DEAERO CCc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000150797628 186066444 /nfs/dbraw/zinc/06/64/44/186066444.db2.gz GHTNVNBTGWJNEE-BBRMVZONSA-N 1 0 317.433 2.032 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000152665349 186095665 /nfs/dbraw/zinc/09/56/65/186095665.db2.gz SVVLOBNWBDNFLH-ROUUACIJSA-N 1 0 315.461 2.238 10 0 DEAERO COc1ccc(CCC(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1F ZINC000155781120 186111778 /nfs/dbraw/zinc/11/17/78/186111778.db2.gz TXDFBDUOPVJFKZ-CHWSQXEVSA-N 1 0 308.397 2.318 10 0 DEAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)Cc1c(F)cccc1F ZINC000164006375 186145441 /nfs/dbraw/zinc/14/54/41/186145441.db2.gz NIPMQKFKPVZVHW-GHMZBOCLSA-N 1 0 305.390 2.309 10 0 DEAERO C[C@@H]([NH3+])Cc1ccc(Sc2nnnn2C)c(C(F)(F)F)c1 ZINC000164047948 186146856 /nfs/dbraw/zinc/14/68/56/186146856.db2.gz QPRDLSXKIHSKLS-SSDOTTSWSA-N 1 0 317.340 2.270 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(F)c(Br)c2)O1 ZINC000164050808 186146995 /nfs/dbraw/zinc/14/69/95/186146995.db2.gz SPXIMQNTVHIQBO-LDYMZIIASA-N 1 0 317.158 2.033 10 0 DEAERO CC(C)n1ncc(Br)c1C(=O)C1CC[NH2+]CC1 ZINC000164061025 186147866 /nfs/dbraw/zinc/14/78/66/186147866.db2.gz SDQUTANVSABJLJ-UHFFFAOYSA-N 1 0 300.200 2.409 10 0 DEAERO CCC[C@H](C(=O)NC[C@@](C)(O)c1ccccc1Cl)[NH+](C)C ZINC000155866128 186118835 /nfs/dbraw/zinc/11/88/35/186118835.db2.gz TVTDMZZPRSZTSC-GDBMZVCRSA-N 1 0 312.841 2.394 10 0 DEAERO C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[S@](=O)c1ccccc1 ZINC000155904144 186121770 /nfs/dbraw/zinc/12/17/70/186121770.db2.gz KNKMKPUOZSJDQE-XUSGNXJCSA-N 1 0 302.399 2.280 10 0 DEAERO CCNS(=O)(=O)c1ccccc1N[C@@](C)(C[NH3+])CC(C)C ZINC000155922576 186123399 /nfs/dbraw/zinc/12/33/99/186123399.db2.gz LNGMVJVHNAUIJH-OAHLLOKOSA-N 1 0 313.467 2.160 10 0 DEAERO CCCNS(=O)(=O)c1ccc(N[C@@](C)(C[NH3+])C(C)C)cc1 ZINC000155975743 186124441 /nfs/dbraw/zinc/12/44/41/186124441.db2.gz YTMKXNQUEYNCEF-HNNXBMFYSA-N 1 0 313.467 2.160 10 0 DEAERO CCn1ncc(Br)c1C(=O)C[NH2+]C1CCCC1 ZINC000164154222 186150804 /nfs/dbraw/zinc/15/08/04/186150804.db2.gz GMTGAPYEHKCCTM-UHFFFAOYSA-N 1 0 300.200 2.380 10 0 DEAERO C[C@H](C(=O)N(Cc1cccs1)C[C@@H]1CCCO1)C1C[NH2+]C1 ZINC000164168339 186151307 /nfs/dbraw/zinc/15/13/07/186151307.db2.gz SKUNFTQONZSPIQ-JSGCOSHPSA-N 1 0 308.447 2.111 10 0 DEAERO CNC(=O)c1ccn(-c2ccc(C[NH2+]C(C)C)cc2Cl)n1 ZINC000164212924 186151841 /nfs/dbraw/zinc/15/18/41/186151841.db2.gz RPXPOWUDFYPBDP-UHFFFAOYSA-N 1 0 306.797 2.383 10 0 DEAERO COC[C@H]1CCN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)C1 ZINC000164309977 186155585 /nfs/dbraw/zinc/15/55/85/186155585.db2.gz TYNRYLKMGXONTG-VIFPVBQESA-N 1 0 301.312 2.462 10 0 DEAERO CC(C)NC(=O)CC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000177867164 186196015 /nfs/dbraw/zinc/19/60/15/186196015.db2.gz PNDRJKIOIMFKCM-AWEZNQCLSA-N 1 0 317.433 2.379 10 0 DEAERO [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000333842614 282980412 /nfs/dbraw/zinc/98/04/12/282980412.db2.gz VLQCLPDZONKDIX-GIPNMCIBSA-N 1 0 311.788 2.468 10 0 DEAERO CC(C)OC(=O)CC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181903404 186217549 /nfs/dbraw/zinc/21/75/49/186217549.db2.gz IPLQJDHAQVLMCX-CYBMUJFWSA-N 1 0 302.378 2.260 10 0 DEAERO CCc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc(-c2ccccn2)n1 ZINC000171944753 198012207 /nfs/dbraw/zinc/01/22/07/198012207.db2.gz XRVALKOLZSLHSE-OAHLLOKOSA-N 1 0 309.417 2.385 10 0 DEAERO CC(C)n1ccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000172014853 198025941 /nfs/dbraw/zinc/02/59/41/198025941.db2.gz XDSGAEALFXYBMS-SFHVURJKSA-N 1 0 319.497 2.066 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000172077106 198035728 /nfs/dbraw/zinc/03/57/28/198035728.db2.gz BWNIMGBQJSSLTG-LBPRGKRZSA-N 1 0 316.854 2.221 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1nc2c(s1)COCC2 ZINC000172256801 198066531 /nfs/dbraw/zinc/06/65/31/198066531.db2.gz KEMPLTWLNSDARS-NSHDSACASA-N 1 0 324.450 2.212 10 0 DEAERO COc1cc(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1C ZINC000172661206 198133791 /nfs/dbraw/zinc/13/37/91/198133791.db2.gz UFARNFSNJPQGIU-MRXNPFEDSA-N 1 0 317.433 2.036 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cnn(CC(F)F)c1 ZINC000072547344 191190871 /nfs/dbraw/zinc/19/08/71/191190871.db2.gz YVHKABMPWOPPAW-JTQLQIEISA-N 1 0 303.357 2.000 10 0 DEAERO Cc1c(F)cccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000072610377 191201874 /nfs/dbraw/zinc/20/18/74/191201874.db2.gz UWBTXBBUXZHGPQ-GFCCVEGCSA-N 1 0 321.396 2.063 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1cnc(-c2ccncc2)s1 ZINC000172814389 198152812 /nfs/dbraw/zinc/15/28/12/198152812.db2.gz DPXDONYSZCOIIP-UHFFFAOYSA-N 1 0 304.419 2.277 10 0 DEAERO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(-c2ccncc2)s1 ZINC000172923683 198168417 /nfs/dbraw/zinc/16/84/17/198168417.db2.gz VWGOFKNYZDFRTN-GFCCVEGCSA-N 1 0 302.403 2.029 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000173276609 198205244 /nfs/dbraw/zinc/20/52/44/198205244.db2.gz PCQMVHJBIMTYPX-BBRMVZONSA-N 1 0 322.474 2.279 10 0 DEAERO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333225328 539952342 /nfs/dbraw/zinc/95/23/42/539952342.db2.gz AXCNCKYHPXLQQN-CABCVRRESA-N 1 0 309.454 2.119 10 0 DEAERO Cc1cc(F)ccc1-n1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000182056092 199379937 /nfs/dbraw/zinc/37/99/37/199379937.db2.gz KIUYKVOYVFCDBR-CQSZACIVSA-N 1 0 316.380 2.096 10 0 DEAERO C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccccc1F ZINC000173511021 198222477 /nfs/dbraw/zinc/22/24/77/198222477.db2.gz RMMJKWWWSLUMEF-UONOGXRCSA-N 1 0 321.396 2.083 10 0 DEAERO Cc1ccc(O[C@H](C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000173917090 198268754 /nfs/dbraw/zinc/26/87/54/198268754.db2.gz IDYSKSZHDOOMSN-HUUCEWRRSA-N 1 0 305.422 2.108 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)NCC[NH+]1CCCCC1 ZINC000173983714 198276067 /nfs/dbraw/zinc/27/60/67/198276067.db2.gz HBQDXZNQZYUHLO-MRXNPFEDSA-N 1 0 319.449 2.377 10 0 DEAERO Cc1nc(-c2cccc(NC(=O)C3CC[NH+](C)CC3)c2)no1 ZINC000174289331 198315589 /nfs/dbraw/zinc/31/55/89/198315589.db2.gz DWQXARFYMTUZQT-UHFFFAOYSA-N 1 0 300.362 2.325 10 0 DEAERO CC[C@@H]1CN(C(=O)c2cc(C)ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174604116 198357991 /nfs/dbraw/zinc/35/79/91/198357991.db2.gz YCCHWTZRMLFHIB-HZPDHXFCSA-N 1 0 304.434 2.221 10 0 DEAERO C=C/C(C)=C\CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617703862 363228605 /nfs/dbraw/zinc/22/86/05/363228605.db2.gz QEIXTKWTQGMQLL-BXENKHIRSA-N 1 0 314.429 2.392 10 0 DEAERO COC(=O)c1ccccc1OCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000182172914 199397567 /nfs/dbraw/zinc/39/75/67/199397567.db2.gz GEDQCIPAQKHBQF-HUUCEWRRSA-N 1 0 318.417 2.021 10 0 DEAERO Cc1ccn2c(C[NH2+][C@H]3CCCN(c4ccnn4C)C3)cnc2c1 ZINC000333515065 282936043 /nfs/dbraw/zinc/93/60/43/282936043.db2.gz FWQGKEFGCGNJFZ-HNNXBMFYSA-N 1 0 324.432 2.135 10 0 DEAERO CCCCN(C)S(=O)(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000357668436 535249325 /nfs/dbraw/zinc/24/93/25/535249325.db2.gz VKTSWVBVIBVWCZ-UHFFFAOYSA-N 1 0 319.515 2.017 10 0 DEAERO C[C@H]1CCCC[C@@H]1OCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183515728 199607301 /nfs/dbraw/zinc/60/73/01/199607301.db2.gz NSJFRMAFMXYFDJ-BBRMVZONSA-N 1 0 305.422 2.473 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1Oc2ccccc2[C@H]1C ZINC000261873204 299209931 /nfs/dbraw/zinc/20/99/31/299209931.db2.gz YDEOUCJWICWQFK-KIRIIANNSA-N 1 0 302.418 2.431 10 0 DEAERO Cc1ccc(C)c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000176448030 198587328 /nfs/dbraw/zinc/58/73/28/198587328.db2.gz IBRONBLAZYPVBT-MRXNPFEDSA-N 1 0 318.461 2.468 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2)C1 ZINC000246529259 535257554 /nfs/dbraw/zinc/25/75/54/535257554.db2.gz UTBTXCRQQJFTHA-BXUZGUMPSA-N 1 0 323.824 2.123 10 0 DEAERO Cc1cccc(C)c1OCC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000061761339 354630645 /nfs/dbraw/zinc/63/06/45/354630645.db2.gz AQRXUWHIOZTPPC-UHFFFAOYSA-N 1 0 304.434 2.482 10 0 DEAERO Cc1cccc(Br)c1C(=O)N(C)CC1C[NH+](C)C1 ZINC000618190030 363408925 /nfs/dbraw/zinc/40/89/25/363408925.db2.gz DQAPKGZYRIHWDS-UHFFFAOYSA-N 1 0 311.223 2.391 10 0 DEAERO CN(CC1C[NH+](C)C1)C(=O)c1ccc(Br)c(F)c1 ZINC000618194731 363411666 /nfs/dbraw/zinc/41/16/66/363411666.db2.gz HVOWXFSOZAZRJL-UHFFFAOYSA-N 1 0 315.186 2.222 10 0 DEAERO Cc1nc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)no1 ZINC000073595359 191329475 /nfs/dbraw/zinc/32/94/75/191329475.db2.gz IQAGDLLWIMDVMV-CQSZACIVSA-N 1 0 323.441 2.078 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2cc(OC)ccc2n1 ZINC000073698955 191343709 /nfs/dbraw/zinc/34/37/09/191343709.db2.gz ZVKQRSLLQUHMML-CQSZACIVSA-N 1 0 313.401 2.458 10 0 DEAERO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000073716777 191347015 /nfs/dbraw/zinc/34/70/15/191347015.db2.gz KHLBEYLOXCXGLC-MNOVXSKESA-N 1 0 300.349 2.157 10 0 DEAERO C[NH+](C)CCCNS(=O)(=O)c1ccc(OC(C)(C)C)cc1 ZINC000074934890 191390528 /nfs/dbraw/zinc/39/05/28/191390528.db2.gz IBKSDVGKQMEPCO-UHFFFAOYSA-N 1 0 314.451 2.094 10 0 DEAERO Cc1nc2cc(CC(=O)NCC[NH+](C)C)ccc2n1C(C)C ZINC000074975178 191399919 /nfs/dbraw/zinc/39/99/19/191399919.db2.gz NKOWLLYYXJQQSK-UHFFFAOYSA-N 1 0 302.422 2.146 10 0 DEAERO CC(C)c1cc(N2CC[NH+]([C@@H](C)CO)CC2)nc(C(C)C)n1 ZINC000090090396 355556043 /nfs/dbraw/zinc/55/60/43/355556043.db2.gz YAVOMKPCIOZHHM-AWEZNQCLSA-N 1 0 306.454 2.226 10 0 DEAERO O=C(Nc1nccs1)[C@@H]1CCCN1CC[NH+]1CCCCC1 ZINC000077313001 191690619 /nfs/dbraw/zinc/69/06/19/191690619.db2.gz RDHVMKMSTHPHIY-ZDUSSCGKSA-N 1 0 308.451 2.032 10 0 DEAERO CC(C)(C)n1cc(CN2CC[NH+](C[C@@H]3CCCCO3)CC2)cn1 ZINC000105866039 355721442 /nfs/dbraw/zinc/72/14/42/355721442.db2.gz LPCDNAJFPTXPSJ-KRWDZBQOSA-N 1 0 320.481 2.325 10 0 DEAERO Cc1sc2nc(CN3CC[N@@H+](C)CC3(C)C)nc(N)c2c1C ZINC000093256745 355672536 /nfs/dbraw/zinc/67/25/36/355672536.db2.gz CVHDSKDESBSTSK-UHFFFAOYSA-N 1 0 319.478 2.416 10 0 DEAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCc2nc[nH]c21 ZINC000370529475 283126348 /nfs/dbraw/zinc/12/63/48/283126348.db2.gz UDIKHPAWMDWINU-BARDWOONSA-N 1 0 318.465 2.312 10 0 DEAERO Cc1onc(-c2ccccn2)c1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000128558842 355829112 /nfs/dbraw/zinc/82/91/12/355829112.db2.gz YZUIOZIUJZMKHH-QWHCGFSZSA-N 1 0 314.389 2.258 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 ZINC000167785193 355977607 /nfs/dbraw/zinc/97/76/07/355977607.db2.gz XSTSJGJWAZMGGJ-UHFFFAOYSA-N 1 0 316.304 2.392 10 0 DEAERO CC(C)CCN1CC[C@H](N2CC[NH+](CCC(C)C)CC2)C1=O ZINC000169793236 355984954 /nfs/dbraw/zinc/98/49/54/355984954.db2.gz MAPDUFSQCAECNA-KRWDZBQOSA-N 1 0 309.498 2.297 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)C2CCCC2)C1 ZINC000172191565 356004404 /nfs/dbraw/zinc/00/44/04/356004404.db2.gz JNTLNQZGYCXTDT-HOCLYGCPSA-N 1 0 311.470 2.221 10 0 DEAERO CCC(CC)[C@H]([NH2+]C[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000179790489 356033046 /nfs/dbraw/zinc/03/30/46/356033046.db2.gz TVXDMLBLSHBUAS-OALUTQOASA-N 1 0 320.477 2.447 10 0 DEAERO C[C@H](CCNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000181589733 356087591 /nfs/dbraw/zinc/08/75/91/356087591.db2.gz MPTUJLPBZBKFCZ-DLBZAZTESA-N 1 0 324.513 2.425 10 0 DEAERO Cc1cccc(S(=O)(=O)N[C@@H](C(N)=[NH2+])C2CCCCC2)c1 ZINC000079786938 191973245 /nfs/dbraw/zinc/97/32/45/191973245.db2.gz NGAKSJGOIDJHIV-CQSZACIVSA-N 1 0 309.435 2.158 10 0 DEAERO CC[C@](C)(CO)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000080108412 192002012 /nfs/dbraw/zinc/00/20/12/192002012.db2.gz KQWQXRGWFDPJIC-CYBMUJFWSA-N 1 0 315.211 2.138 10 0 DEAERO CS(=O)(=O)CCCn1ccc2c1cccc2C[NH2+]C1CC1 ZINC000080080263 191999330 /nfs/dbraw/zinc/99/93/30/191999330.db2.gz NJDNGOCWASURQK-UHFFFAOYSA-N 1 0 306.431 2.328 10 0 DEAERO COc1ccccc1C1(C[NH3+])CCN(C(=O)NC(C)C)CC1 ZINC000219254765 356273646 /nfs/dbraw/zinc/27/36/46/356273646.db2.gz DQOSXESRZVBXCC-UHFFFAOYSA-N 1 0 305.422 2.106 10 0 DEAERO CC[C@@](C)([NH3+])COc1ccccc1S(=O)(=O)C(F)(F)F ZINC000080844112 192195836 /nfs/dbraw/zinc/19/58/36/192195836.db2.gz DDTFHLVUFYKPOB-LLVKDONJSA-N 1 0 311.325 2.486 10 0 DEAERO C[C@@H]([NH3+])c1csc(NC(=O)c2cccc3c2OCCO3)n1 ZINC000080863812 192196787 /nfs/dbraw/zinc/19/67/87/192196787.db2.gz CVHNIEKHFHYFNH-MRVPVSSYSA-N 1 0 305.359 2.186 10 0 DEAERO C[C@H]1CCC[C@]([NH3+])(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)C1 ZINC000080915114 192200572 /nfs/dbraw/zinc/20/05/72/192200572.db2.gz CBSNSEAGIMGTKE-BJOHPYRUSA-N 1 0 309.797 2.285 10 0 DEAERO O=C([C@H]1CCCCC[NH2+]1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000081016805 192214559 /nfs/dbraw/zinc/21/45/59/192214559.db2.gz NWJRFVWTVLIDAG-QLFBSQMISA-N 1 0 312.479 2.032 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000262610545 356342287 /nfs/dbraw/zinc/34/22/87/356342287.db2.gz DUCUSBRIVWFRQQ-WWGRRREGSA-N 1 0 306.406 2.096 10 0 DEAERO C[C@H](CC(=O)N1CCCC[C@H]1c1cn[nH]c1)[C@H]1CCC[NH2+]C1 ZINC000262657039 356343101 /nfs/dbraw/zinc/34/31/01/356343101.db2.gz DGDWZLDUMWOJPS-YCPHGPKFSA-N 1 0 304.438 2.489 10 0 DEAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000262640882 356343180 /nfs/dbraw/zinc/34/31/80/356343180.db2.gz ZKOHVFJQZFRIMR-CQDKDKBSSA-N 1 0 315.417 2.340 10 0 DEAERO CC[C@H](CCO)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400323178 283155659 /nfs/dbraw/zinc/15/56/59/283155659.db2.gz ANKWGAHOVAZYBG-HZSPNIEDSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400770124 283158678 /nfs/dbraw/zinc/15/86/78/283158678.db2.gz NHCGWEDTRZDFAY-LXTVHRRPSA-N 1 0 312.454 2.383 10 0 DEAERO CC(C)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400474247 283157640 /nfs/dbraw/zinc/15/76/40/283157640.db2.gz ZDSWCJCCPMIIIA-BFHYXJOUSA-N 1 0 300.443 2.238 10 0 DEAERO Ic1cnc([C@@H]2[NH2+]C[C@H]2C2CC2)s1 ZINC000306898455 356405860 /nfs/dbraw/zinc/40/58/60/356405860.db2.gz XHFWMAOOCMLTFN-POYBYMJQSA-N 1 0 306.172 2.418 10 0 DEAERO CC(=O)N(C1CCC1)[C@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)CC1 ZINC000328622679 356461753 /nfs/dbraw/zinc/46/17/53/356461753.db2.gz BMLOFVONAPLHQJ-KBPBESRZSA-N 1 0 322.371 2.165 10 0 DEAERO C[C@@H]1CC(Nc2cc(N[C@@H]3CCCOC3)ncn2)C[C@@H](C)O1 ZINC000328626870 356463318 /nfs/dbraw/zinc/46/33/18/356463318.db2.gz FOEYKKSPBYKWFW-JHJVBQTASA-N 1 0 306.410 2.435 10 0 DEAERO CC[NH+](CC)CCNC(=S)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000005715214 181276598 /nfs/dbraw/zinc/27/65/98/181276598.db2.gz PVQTWVZBIYXLOB-UHFFFAOYSA-N 1 0 321.446 2.087 10 0 DEAERO CCCn1cc(CN[C@H](C)c2nnc3n2CCCCC3)cn1 ZINC000319339219 356440464 /nfs/dbraw/zinc/44/04/64/356440464.db2.gz QOHHGHZIKXUMJA-CYBMUJFWSA-N 1 0 302.426 2.462 10 0 DEAERO CC(C)c1nc(=N[C@H]2CCO[C@H](c3cncn3C)C2)s[n-]1 ZINC000328641813 356465984 /nfs/dbraw/zinc/46/59/84/356465984.db2.gz YAJMNTVEGNVTIS-JQWIXIFHSA-N 1 0 307.423 2.149 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000236895089 202057685 /nfs/dbraw/zinc/05/76/85/202057685.db2.gz PJDJAGBYMJQAFX-NJZAAPMLSA-N 1 0 309.841 2.408 10 0 DEAERO C[NH2+][C@@H](c1ccc(OC)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000086021890 192543767 /nfs/dbraw/zinc/54/37/67/192543767.db2.gz CSGYETRRSXQFMI-TVQRCGJNSA-N 1 0 303.811 2.044 10 0 DEAERO C[C@@H]1[C@@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccccc1Br ZINC000086041024 192546596 /nfs/dbraw/zinc/54/65/96/192546596.db2.gz FGRRIHFKOHJRNY-MIMYLULJSA-N 1 0 318.236 2.349 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000237039542 202132326 /nfs/dbraw/zinc/13/23/26/202132326.db2.gz QEZNCKQEDGKFAH-CKLFPEKLSA-N 1 0 302.777 2.002 10 0 DEAERO CC[C@H]1CN(c2ncc(Br)cc2C#N)CC[C@H]1[NH3+] ZINC000386097396 356694357 /nfs/dbraw/zinc/69/43/57/356694357.db2.gz JCTWOHMPSLJHGD-JOYOIKCWSA-N 1 0 309.211 2.279 10 0 DEAERO CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H](C)O ZINC000386743940 356698372 /nfs/dbraw/zinc/69/83/72/356698372.db2.gz DZMVJUHMYYTVHF-IHRRRGAJSA-N 1 0 300.443 2.383 10 0 DEAERO CCN1CCO[C@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000388422679 356705893 /nfs/dbraw/zinc/70/58/93/356705893.db2.gz IOHWMJKMOJWXEO-LLVKDONJSA-N 1 0 319.268 2.321 10 0 DEAERO Brc1ccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)cc1 ZINC000404064898 356731791 /nfs/dbraw/zinc/73/17/91/356731791.db2.gz JKBOJESEVASRLX-KBPBESRZSA-N 1 0 311.223 2.012 10 0 DEAERO COc1ccc(C(=O)N2C[C@@H]([NH3+])CC[C@H]2C(F)(F)F)c(F)c1 ZINC000393353372 356713480 /nfs/dbraw/zinc/71/34/80/356713480.db2.gz RIKCUFPPHFYVKL-UFBFGSQYSA-N 1 0 320.286 2.329 10 0 DEAERO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCOC2)cc1 ZINC000177931583 198790761 /nfs/dbraw/zinc/79/07/61/198790761.db2.gz UQTHKLANZVOLIR-WFASDCNBSA-N 1 0 312.435 2.278 10 0 DEAERO C[C@@H]1C[NH2+]CCN1c1ccc(F)cc1I ZINC000086765468 192597629 /nfs/dbraw/zinc/59/76/29/192597629.db2.gz GGJWRBWKEXISPW-MRVPVSSYSA-N 1 0 320.149 2.228 10 0 DEAERO CC(C)(O)C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000087027384 192612838 /nfs/dbraw/zinc/61/28/38/192612838.db2.gz DUDGTLGTWAVKTH-JTQLQIEISA-N 1 0 308.205 2.094 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3nccnc3C)[C@H]2C1 ZINC000579400823 356968527 /nfs/dbraw/zinc/96/85/27/356968527.db2.gz ALDFCKCIURPGDH-TUUVXOQKSA-N 1 0 302.422 2.083 10 0 DEAERO CCCCN(C)S(=O)(=O)c1ccc(F)c(C[NH2+]CC)c1F ZINC000088915424 192656254 /nfs/dbraw/zinc/65/62/54/192656254.db2.gz IFFQVAIYYTVFEX-UHFFFAOYSA-N 1 0 320.405 2.495 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000088921959 192657882 /nfs/dbraw/zinc/65/78/82/192657882.db2.gz AOBOOGBKFXURPH-UHFFFAOYSA-N 1 0 302.827 2.234 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N2CCCC[C@H]2C)s1 ZINC000088907397 192652792 /nfs/dbraw/zinc/65/27/92/192652792.db2.gz WNWMFADBUTVLEP-LLVKDONJSA-N 1 0 302.465 2.073 10 0 DEAERO CCCn1cc(S(=O)(=O)N2CCCC[C@@H]2CC)cc1C[NH3+] ZINC000088943240 192662661 /nfs/dbraw/zinc/66/26/61/192662661.db2.gz PQODFQNIXMXYPM-ZDUSSCGKSA-N 1 0 313.467 2.310 10 0 DEAERO CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249593215 535356585 /nfs/dbraw/zinc/35/65/85/535356585.db2.gz WADIQYQTIPGNSS-UONOGXRCSA-N 1 0 310.463 2.061 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@H](C)CCC)nc1 ZINC000088964652 192673432 /nfs/dbraw/zinc/67/34/32/192673432.db2.gz UHOMYSHBZVXHTP-CYBMUJFWSA-N 1 0 313.467 2.390 10 0 DEAERO C[C@@H](NC(=O)c1cc(-c2cccnc2)on1)C1CC[NH+](C)CC1 ZINC000586765063 357366852 /nfs/dbraw/zinc/36/68/52/357366852.db2.gz JLOMPUJLCVPUGF-GFCCVEGCSA-N 1 0 314.389 2.197 10 0 DEAERO CCCCC[C@H](C)NS(=O)(=O)c1cc(C[NH2+]CC)n(C)c1 ZINC000088997960 192689166 /nfs/dbraw/zinc/68/91/66/192689166.db2.gz LQQCCLIXXSTUMI-ZDUSSCGKSA-N 1 0 315.483 2.382 10 0 DEAERO C[NH+](C)CCn1cc(NC(=O)c2csc(C(C)(C)C)n2)cn1 ZINC000588216516 357401915 /nfs/dbraw/zinc/40/19/15/357401915.db2.gz NZHAXRJAWYXEML-UHFFFAOYSA-N 1 0 321.450 2.451 10 0 DEAERO Cc1ccccc1CCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000590889592 357636097 /nfs/dbraw/zinc/63/60/97/357636097.db2.gz NPKMPUXNKKIXGN-UHFFFAOYSA-N 1 0 300.406 2.324 10 0 DEAERO c1cc(-c2noc(CN3CCC[C@@H]([NH+]4CCCC4)C3)n2)co1 ZINC000591834797 357766386 /nfs/dbraw/zinc/76/63/86/357766386.db2.gz YEJRYPUVEDMQTQ-CQSZACIVSA-N 1 0 302.378 2.390 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(O)c2)[C@@H]1c1ccccc1 ZINC000179222877 199001725 /nfs/dbraw/zinc/00/17/25/199001725.db2.gz RXOWNMHDBKNGEV-MJGOQNOKSA-N 1 0 310.397 2.496 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180231854 199134212 /nfs/dbraw/zinc/13/42/12/199134212.db2.gz OKSVZAXOGYDALR-CZUORRHYSA-N 1 0 314.433 2.379 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)CCCn2cnc3ccccc32)C1 ZINC000594367467 358250127 /nfs/dbraw/zinc/25/01/27/358250127.db2.gz HKFXMOKYJRYLAI-OAHLLOKOSA-N 1 0 314.433 2.275 10 0 DEAERO CC[C@H](CSC)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000180555630 199175100 /nfs/dbraw/zinc/17/51/00/199175100.db2.gz XXQNVHQKRFWUBO-CYBMUJFWSA-N 1 0 310.463 2.498 10 0 DEAERO c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CSCCc3ccccc31)CC2 ZINC000180604565 199183348 /nfs/dbraw/zinc/18/33/48/199183348.db2.gz FFODRLSVRDRCNM-DZGCQCFKSA-N 1 0 300.431 2.213 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N(CC2CC2)C(C)C)cc1 ZINC000089005609 192694123 /nfs/dbraw/zinc/69/41/23/192694123.db2.gz SVORGTXWGCRECO-UHFFFAOYSA-N 1 0 310.463 2.258 10 0 DEAERO [NH3+]CCCCNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000181073071 199249057 /nfs/dbraw/zinc/24/90/57/199249057.db2.gz MUAMLRYEHBDUHS-OLZOCXBDSA-N 1 0 311.223 2.408 10 0 DEAERO O=C1[C@H]([NH2+]Cc2[nH]nc3ccccc32)CCN1c1ccccc1 ZINC000598037899 359072860 /nfs/dbraw/zinc/07/28/60/359072860.db2.gz MXGLYRWCKYVNHG-MRXNPFEDSA-N 1 0 306.369 2.458 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000089132286 192732187 /nfs/dbraw/zinc/73/21/87/192732187.db2.gz HUMCWFFHDCUNIW-IUODEOHRSA-N 1 0 314.426 2.272 10 0 DEAERO Cc1nn(C)c(CN2CC(C)(C)[NH2+]C[C@@H]2C)c1Br ZINC000089270481 192755413 /nfs/dbraw/zinc/75/54/13/192755413.db2.gz FIOXSBUWYCNZDR-VIFPVBQESA-N 1 0 315.259 2.063 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1CNc1ccccc1S(=O)(=O)C(F)F ZINC000089501212 192804336 /nfs/dbraw/zinc/80/43/36/192804336.db2.gz HQIYUDIBALNIMG-MNOVXSKESA-N 1 0 318.389 2.470 10 0 DEAERO Cc1csc([C@@H](C)CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000186807098 200013820 /nfs/dbraw/zinc/01/38/20/200013820.db2.gz GHHVXKKBGZEXCE-GXTWGEPZSA-N 1 0 322.478 2.435 10 0 DEAERO COC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000186930027 200033094 /nfs/dbraw/zinc/03/30/94/200033094.db2.gz ZFBMKTPPUSMPJJ-YGRLFVJLSA-N 1 0 315.772 2.398 10 0 DEAERO CC(=O)Nc1ccc(C)c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000186966059 200039403 /nfs/dbraw/zinc/03/94/03/200039403.db2.gz PASXRODKFRKWRZ-XJKSGUPXSA-N 1 0 315.417 2.262 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000187157774 200069210 /nfs/dbraw/zinc/06/92/10/200069210.db2.gz WVTLMCFNCLVBSH-DOMZBBRYSA-N 1 0 323.412 2.362 10 0 DEAERO CO[C@@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC000187325367 200095736 /nfs/dbraw/zinc/09/57/36/200095736.db2.gz LBIWLTLMERWLGD-WMLDXEAASA-N 1 0 319.449 2.315 10 0 DEAERO CO[C@@H]1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC000187424600 200111346 /nfs/dbraw/zinc/11/13/46/200111346.db2.gz KATFFGUGYLNGBI-DOTOQJQBSA-N 1 0 319.449 2.185 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cc(F)ccc2OC)C1 ZINC000187781817 200155972 /nfs/dbraw/zinc/15/59/72/200155972.db2.gz CTEWQROYPOXINK-OAHLLOKOSA-N 1 0 323.412 2.460 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000187788037 200157031 /nfs/dbraw/zinc/15/70/31/200157031.db2.gz HOYUWQOKNWMJDQ-HNNXBMFYSA-N 1 0 311.433 2.495 10 0 DEAERO Cc1ccc(CNC(=O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)cc1 ZINC000187915766 200175831 /nfs/dbraw/zinc/17/58/31/200175831.db2.gz GETFXUVBAZIEMU-MAUKXSAKSA-N 1 0 304.434 2.094 10 0 DEAERO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc(F)c(Cl)c1 ZINC000188423089 200244087 /nfs/dbraw/zinc/24/40/87/200244087.db2.gz KKAFASJCHACWGE-MRVPVSSYSA-N 1 0 322.771 2.339 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cnn(C)c1 ZINC000189032588 200338046 /nfs/dbraw/zinc/33/80/46/200338046.db2.gz KERCKKAVMSQRRB-BLLLJJGKSA-N 1 0 316.380 2.011 10 0 DEAERO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2cnccn2)o1 ZINC000605143249 360955279 /nfs/dbraw/zinc/95/52/79/360955279.db2.gz GRBHMAUCLGRWES-UHFFFAOYSA-N 1 0 302.378 2.184 10 0 DEAERO [NH3+]C[C@H](NS(=O)(=O)c1cccc2ncccc21)C1CCCC1 ZINC000192028003 200803896 /nfs/dbraw/zinc/80/38/96/200803896.db2.gz MQADIXDOKSUGOH-HNNXBMFYSA-N 1 0 319.430 2.031 10 0 DEAERO c1c[nH]c([C@@H]2CCC[N@@H+](Cc3cnnn3Cc3ccccc3)C2)n1 ZINC000292555750 223145436 /nfs/dbraw/zinc/14/54/36/223145436.db2.gz NCGIKXHEQLOJSN-MRXNPFEDSA-N 1 0 322.416 2.429 10 0 DEAERO C[C@H]([NH3+])CCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000193267141 201017542 /nfs/dbraw/zinc/01/75/42/201017542.db2.gz HTQFUUJWPBIPBZ-KWQFWETISA-N 1 0 305.205 2.270 10 0 DEAERO COC(=O)COc1cccc(C[NH2+][C@H]2CCC[C@H](OC)C2)c1 ZINC000619426919 363790274 /nfs/dbraw/zinc/79/02/74/363790274.db2.gz YSNNJPGHSMULJN-GJZGRUSLSA-N 1 0 307.390 2.286 10 0 DEAERO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@H](OC)C2)n1 ZINC000619430702 363791992 /nfs/dbraw/zinc/79/19/92/363791992.db2.gz RISKAPQBFYSVTL-NEPJUHHUSA-N 1 0 312.435 2.410 10 0 DEAERO O[C@H](CN1CC[NH+](C[C@H]2CCC=CO2)CC1)c1ccccc1 ZINC000193898914 201141613 /nfs/dbraw/zinc/14/16/13/201141613.db2.gz STOBBRIWARSHJX-QZTJIDSGSA-N 1 0 302.418 2.030 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2ccc(OC)c(O)c2)C1 ZINC000194169302 201189331 /nfs/dbraw/zinc/18/93/31/201189331.db2.gz IUIKPXRGGPGTMO-AWEZNQCLSA-N 1 0 321.421 2.027 10 0 DEAERO CCOC(=O)CC[NH2+][C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611406209 361593540 /nfs/dbraw/zinc/59/35/40/361593540.db2.gz VXJHHFZDLRUALF-OAHLLOKOSA-N 1 0 307.390 2.470 10 0 DEAERO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1cncn1C)c1ccccc1 ZINC000611406728 361593811 /nfs/dbraw/zinc/59/38/11/361593811.db2.gz VSPMIPNYYQUAAI-HNNXBMFYSA-N 1 0 301.390 2.450 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000611661397 361654341 /nfs/dbraw/zinc/65/43/41/361654341.db2.gz XOCYNYZNBQTZMO-QGZVFWFLSA-N 1 0 322.449 2.099 10 0 DEAERO CCN1C[C@H](CN(C)[C@H](C(=O)OC)C2CC2)Oc2ccccc21 ZINC000611660056 361654346 /nfs/dbraw/zinc/65/43/46/361654346.db2.gz MTWAISFDNPXVME-YOEHRIQHSA-N 1 0 318.417 2.157 10 0 DEAERO CCC(CC)[NH2+]CCn1c(C)ncc(Br)c1=O ZINC000090768975 192931503 /nfs/dbraw/zinc/93/15/03/192931503.db2.gz AETZNPGRYXYOAL-UHFFFAOYSA-N 1 0 302.216 2.092 10 0 DEAERO CCCOC(=O)[C@@H](C)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195284160 201372829 /nfs/dbraw/zinc/37/28/29/201372829.db2.gz FGHLUQYCDRPARC-NVXWUHKLSA-N 1 0 319.449 2.177 10 0 DEAERO CCCCOC[C@@H](O)C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000195181463 201355703 /nfs/dbraw/zinc/35/57/03/201355703.db2.gz ZYESPLNCWRWDIQ-FUHWJXTLSA-N 1 0 307.434 2.146 10 0 DEAERO Cc1cnc(CN2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)o1 ZINC000195292724 201374857 /nfs/dbraw/zinc/37/48/57/201374857.db2.gz BSONVYDYCLPMHP-INIZCTEOSA-N 1 0 300.406 2.332 10 0 DEAERO CO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620192798 363987726 /nfs/dbraw/zinc/98/77/26/363987726.db2.gz UMSSTOBFQBZGTF-DOTOQJQBSA-N 1 0 316.445 2.440 10 0 DEAERO c1cc(CN2CCO[C@@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)ccn1 ZINC000628476915 366862100 /nfs/dbraw/zinc/86/21/00/366862100.db2.gz WEPUNBZTUJGUKK-OWSLCNJRSA-N 1 0 301.434 2.061 10 0 DEAERO CS(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000449245898 240242350 /nfs/dbraw/zinc/24/23/50/240242350.db2.gz CPWAFXJWCRYSDT-QGZVFWFLSA-N 1 0 323.458 2.481 10 0 DEAERO C[C@H](C[N@@H+]1CCC[C@]12CCOC2)c1ccc(S(C)(=O)=O)cc1 ZINC000449311216 240340124 /nfs/dbraw/zinc/34/01/24/240340124.db2.gz LFGCDBGNGYBTSX-RHSMWYFYSA-N 1 0 323.458 2.449 10 0 DEAERO COc1ccc(-n2cc(C[N@@H+]3CC[C@@H](CO)[C@H]3C)cn2)cc1 ZINC000449290821 240316780 /nfs/dbraw/zinc/31/67/80/240316780.db2.gz YYGOMCILQWNXEO-HIFRSBDPSA-N 1 0 301.390 2.084 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](C[C@H](C)c2ccccc2)CC12COC2 ZINC000449358040 240392734 /nfs/dbraw/zinc/39/27/34/240392734.db2.gz FHSGIFNOXZJRLH-GOEBONIOSA-N 1 0 303.402 2.302 10 0 DEAERO c1ccc2c(c1)CO[C@H](C[NH2+]Cc1cnc(N3CCCC3)nc1)C2 ZINC000623601908 365097163 /nfs/dbraw/zinc/09/71/63/365097163.db2.gz VHKKUZDPEMIEFO-SFHVURJKSA-N 1 0 324.428 2.308 10 0 DEAERO c1ncn(-c2ccccc2C[NH2+]C[C@@H]2CCN2C2CCCC2)n1 ZINC000623727831 365150876 /nfs/dbraw/zinc/15/08/76/365150876.db2.gz PEZNKYMGGJPEJE-KRWDZBQOSA-N 1 0 311.433 2.374 10 0 DEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000623767641 365168049 /nfs/dbraw/zinc/16/80/49/365168049.db2.gz ZLHATPLQLZMTHS-RYUDHWBXSA-N 1 0 320.614 2.342 10 0 DEAERO CN1CCOC[C@@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000623712741 365142167 /nfs/dbraw/zinc/14/21/67/365142167.db2.gz KGUVLUQTOAQJLW-ZDUSSCGKSA-N 1 0 317.202 2.008 10 0 DEAERO O=C1[C@H]([NH2+]Cc2cncc(Br)c2)CCN1C1CCC1 ZINC000623842605 365195114 /nfs/dbraw/zinc/19/51/14/365195114.db2.gz QZCJMOOLARCKNN-CYBMUJFWSA-N 1 0 324.222 2.087 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H](O)c1cccc(F)c1 ZINC000091229928 193024724 /nfs/dbraw/zinc/02/47/24/193024724.db2.gz PIGGSQJIIUJAQZ-HZPDHXFCSA-N 1 0 310.413 2.342 10 0 DEAERO CSCCCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091343665 193043905 /nfs/dbraw/zinc/04/39/05/193043905.db2.gz PYFRTZXHSAHXSY-LLVKDONJSA-N 1 0 302.465 2.128 10 0 DEAERO C[C@](O)(C[NH3+])Cc1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000091520434 193068364 /nfs/dbraw/zinc/06/83/64/193068364.db2.gz NDNOPTYUGUOYSC-CYBMUJFWSA-N 1 0 316.188 2.219 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)C(C)(C)N1CCCCC1 ZINC000091565226 193073914 /nfs/dbraw/zinc/07/39/14/193073914.db2.gz BJGDIYOITVGNCV-AWEZNQCLSA-N 1 0 304.500 2.054 10 0 DEAERO CC[C@](C)([C@@H](N)Cc1c(Br)c(C)nn1C)[NH+](C)C ZINC000091570107 193074270 /nfs/dbraw/zinc/07/42/70/193074270.db2.gz VOGJOGWRAVOHAO-WCQYABFASA-N 1 0 317.275 2.091 10 0 DEAERO CC[NH2+]CC[C@@](C)(O)Cc1c(Br)c(C)nn1CC ZINC000091466080 193059526 /nfs/dbraw/zinc/05/95/26/193059526.db2.gz ROZDXKXMMYMVMB-CYBMUJFWSA-N 1 0 318.259 2.267 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000091480035 193061933 /nfs/dbraw/zinc/06/19/33/193061933.db2.gz JBXZCGVLMJQBPQ-PWSUYJOCSA-N 1 0 302.296 2.187 10 0 DEAERO O=C(Cc1ccc(Br)cc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714055 193096084 /nfs/dbraw/zinc/09/60/84/193096084.db2.gz ZRJFVFDBDPOKSL-HIFRSBDPSA-N 1 0 324.218 2.424 10 0 DEAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721139 193096544 /nfs/dbraw/zinc/09/65/44/193096544.db2.gz FGQCVSZVHSWPTH-HFBAOOFYSA-N 1 0 312.816 2.473 10 0 DEAERO CCC(CC)([C@@H]([NH3+])CCCS(=O)(=O)CC)N1CCCC1 ZINC000091634703 193082843 /nfs/dbraw/zinc/08/28/43/193082843.db2.gz WKEICLTZEUDIPA-AWEZNQCLSA-N 1 0 304.500 2.183 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)C1(N(CC)CC)CCCC1 ZINC000091639794 193083208 /nfs/dbraw/zinc/08/32/08/193083208.db2.gz CCYBZZLXMGYABW-OAHLLOKOSA-N 1 0 318.527 2.444 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(Cl)c1C ZINC000624393427 365407678 /nfs/dbraw/zinc/40/76/78/365407678.db2.gz YIUPWYYRZNCGCK-NWDGAFQWSA-N 1 0 302.827 2.067 10 0 DEAERO CC[C@H](C)[C@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000091847964 193117017 /nfs/dbraw/zinc/11/70/17/193117017.db2.gz IEROIGMXAGYVKG-ULQDDVLXSA-N 1 0 324.513 2.233 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)sc1Cl ZINC000624405064 365411671 /nfs/dbraw/zinc/41/16/71/365411671.db2.gz BEPQPXDKEFLUEA-BDAKNGLRSA-N 1 0 308.856 2.129 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2ccc(C)c(F)c2)CC1 ZINC000091872651 193121173 /nfs/dbraw/zinc/12/11/73/193121173.db2.gz WDCZHSLQTGCUAF-UHFFFAOYSA-N 1 0 314.426 2.285 10 0 DEAERO [NH3+]CC1([C@H](O)c2cc(Br)ccc2F)CCOCC1 ZINC000091911616 193125224 /nfs/dbraw/zinc/12/52/24/193125224.db2.gz YOPKBQFADRYGJJ-GFCCVEGCSA-N 1 0 318.186 2.377 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(Cl)ccc1OC[C@@H]1CN(C)CCO1 ZINC000092060655 193149887 /nfs/dbraw/zinc/14/98/87/193149887.db2.gz VYEZJKZGXCUSFW-GJZGRUSLSA-N 1 0 312.841 2.329 10 0 DEAERO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)CC1(O)CCOCC1 ZINC000630034597 367444411 /nfs/dbraw/zinc/44/44/11/367444411.db2.gz AYGVOGQJHLNBRR-WMZOPIPTSA-N 1 0 319.445 2.424 10 0 DEAERO C[C@H]1C[NH+](CCC(=O)Nc2ccccc2C(N)=S)C[C@@H]1C ZINC000092085437 193154476 /nfs/dbraw/zinc/15/44/76/193154476.db2.gz SQRPOQICRGKWRH-RYUDHWBXSA-N 1 0 305.447 2.237 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000450661158 242077774 /nfs/dbraw/zinc/07/77/74/242077774.db2.gz DEXSLPOAAOAXPV-PIGZYNQJSA-N 1 0 304.390 2.026 10 0 DEAERO Cc1nn(C)cc1CC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000450701075 242116731 /nfs/dbraw/zinc/11/67/31/242116731.db2.gz VMHMITPLNZAFMF-RDTXWAMCSA-N 1 0 314.433 2.079 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1C(N)=S)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092085499 193154555 /nfs/dbraw/zinc/15/45/55/193154555.db2.gz HSKHOTXOTCLOSB-TUAOUCFPSA-N 1 0 305.447 2.236 10 0 DEAERO CO[C@H]1CN(C(=O)c2scc(C)c2Cl)[C@@](C)(C[NH3+])C1 ZINC000630372506 367616796 /nfs/dbraw/zinc/61/67/96/367616796.db2.gz FSUHSEGKSRMXBJ-NOZJJQNGSA-N 1 0 302.827 2.288 10 0 DEAERO c1c(C[C@H]2CCC[NH2+]C2)nnn1Cc1cccc2cccnc21 ZINC000630598332 367749222 /nfs/dbraw/zinc/74/92/22/367749222.db2.gz XSWSZUZFYNAHHP-CQSZACIVSA-N 1 0 307.401 2.417 10 0 DEAERO CC(C)[NH2+]Cc1ccccc1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113965 193161258 /nfs/dbraw/zinc/16/12/58/193161258.db2.gz XSURBBPRMILURB-ZIAGYGMSSA-N 1 0 310.463 2.461 10 0 DEAERO CC[NH2+]Cc1cccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1C ZINC000092113415 193161916 /nfs/dbraw/zinc/16/19/16/193161916.db2.gz GGBLQNTWWYXRAL-BETUJISGSA-N 1 0 310.463 2.381 10 0 DEAERO CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115595 193163526 /nfs/dbraw/zinc/16/35/26/193163526.db2.gz HBEHSOBMYIWIRC-ZDUSSCGKSA-N 1 0 314.426 2.498 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(CC(C)C)C2CC2)c(F)c1 ZINC000092115958 193164150 /nfs/dbraw/zinc/16/41/50/193164150.db2.gz JFQBBBLQYAARBP-UHFFFAOYSA-N 1 0 314.426 2.354 10 0 DEAERO CCC1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2F)CC1 ZINC000092115874 193164361 /nfs/dbraw/zinc/16/43/61/193164361.db2.gz CKRJZGUNZXPNCM-UHFFFAOYSA-N 1 0 300.399 2.095 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000528751350 283997857 /nfs/dbraw/zinc/99/78/57/283997857.db2.gz HSIJKWKEPPYQDV-NOOLBSRQSA-N 1 0 321.417 2.030 10 0 DEAERO c1cncc(-c2nc3c(c(N4CC([NH+]5CCCC5)C4)n2)CCC3)c1 ZINC000631354182 368170503 /nfs/dbraw/zinc/17/05/03/368170503.db2.gz YNYNGRAZTOOYEH-UHFFFAOYSA-N 1 0 321.428 2.312 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cc(Cl)ccc2-n2cccn2)C1 ZINC000092204128 193172978 /nfs/dbraw/zinc/17/29/78/193172978.db2.gz BALYUQUOHFUOMB-ZYHUDNBSSA-N 1 0 302.765 2.368 10 0 DEAERO CC(=O)c1ccccc1OCCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885962 368441756 /nfs/dbraw/zinc/44/17/56/368441756.db2.gz FNGPTPTWLUPKOV-WBVHZDCISA-N 1 0 302.418 2.342 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000631968726 368472069 /nfs/dbraw/zinc/47/20/69/368472069.db2.gz WYNZVHBVEXQPSD-BDAKNGLRSA-N 1 0 323.245 2.209 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC000631968642 368472340 /nfs/dbraw/zinc/47/23/40/368472340.db2.gz WBTLYVGEFOTTFF-BDAKNGLRSA-N 1 0 323.245 2.209 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC000631968645 368472464 /nfs/dbraw/zinc/47/24/64/368472464.db2.gz WBTLYVGEFOTTFF-IUCAKERBSA-N 1 0 323.245 2.209 10 0 DEAERO c1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CN3CCC[C@@H]3CO1)S2 ZINC000092260467 193182155 /nfs/dbraw/zinc/18/21/55/193182155.db2.gz JOYVDGJGLPTXOE-BZUAXINKSA-N 1 0 304.459 2.156 10 0 DEAERO CCC[C@H](C(=O)NCCOCc1ccc(OC)cc1)[NH+](C)C ZINC000093003336 193192227 /nfs/dbraw/zinc/19/22/27/193192227.db2.gz UIDZCUFUVIVUBV-MRXNPFEDSA-N 1 0 308.422 2.058 10 0 DEAERO COCCCN(CCOC)c1nc(C(C)C)c(C[NH3+])s1 ZINC000093000002 193192308 /nfs/dbraw/zinc/19/23/08/193192308.db2.gz HNXJAXAEBBEYSL-UHFFFAOYSA-N 1 0 301.456 2.215 10 0 DEAERO CC(C)COc1ccc([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261733436 203104749 /nfs/dbraw/zinc/10/47/49/203104749.db2.gz KBKSOBKNYUTNKA-XYPHTWIQSA-N 1 0 320.433 2.405 10 0 DEAERO Cc1c(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)oc2ccc(F)cc12 ZINC000261807925 203120997 /nfs/dbraw/zinc/12/09/97/203120997.db2.gz OOSLFMAVGPOZCX-RISCZKNCSA-N 1 0 306.337 2.003 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1c(F)cccc1Cl ZINC000261922676 203153911 /nfs/dbraw/zinc/15/39/11/203153911.db2.gz YWMXIBALCGETRO-SBMIAAHKSA-N 1 0 300.761 2.163 10 0 DEAERO COCC[NH2+]C[C@@H](CCCS(C)(=O)=O)c1cccc(C)c1 ZINC000093126307 193206034 /nfs/dbraw/zinc/20/60/34/193206034.db2.gz RXPGWACJAIQRRS-MRXNPFEDSA-N 1 0 313.463 2.139 10 0 DEAERO COCC[NH2+]C[C@H](CCCS(C)(=O)=O)c1ccc(C)cc1 ZINC000093137881 193207209 /nfs/dbraw/zinc/20/72/09/193207209.db2.gz NJKCMOSUIHXGGL-INIZCTEOSA-N 1 0 313.463 2.139 10 0 DEAERO COCC[NH2+]C[C@@H](CCS(C)(=O)=O)c1cccc(Cl)c1 ZINC000093166383 193209082 /nfs/dbraw/zinc/20/90/82/193209082.db2.gz KUZGWHGQDXOBCR-CYBMUJFWSA-N 1 0 319.854 2.094 10 0 DEAERO C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000262511019 203314914 /nfs/dbraw/zinc/31/49/14/203314914.db2.gz BIQIBELNHRLDNI-NHYWBVRUSA-N 1 0 303.793 2.482 10 0 DEAERO Cc1c(CSC(C)C)cccc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262489056 203306356 /nfs/dbraw/zinc/30/63/56/203306356.db2.gz ZBYSCLDQSSZKFP-ZFWWWQNUSA-N 1 0 308.447 2.298 10 0 DEAERO C[NH+]1CCC2(CC1)CC(=O)NC(=O)[C@H]2c1ccccc1Cl ZINC000093183612 193212642 /nfs/dbraw/zinc/21/26/42/193212642.db2.gz RREGWNBIBWLFHS-CQSZACIVSA-N 1 0 306.793 2.182 10 0 DEAERO COCCOCCC1(c2ccccc2Br)C[NH2+]C1 ZINC000093197352 193214624 /nfs/dbraw/zinc/21/46/24/193214624.db2.gz PNBLMHYRLIZLHT-UHFFFAOYSA-N 1 0 314.223 2.343 10 0 DEAERO C[C@@H](C[NH3+])NC(=O)COc1ccccc1OCc1ccccc1 ZINC000262540327 203322789 /nfs/dbraw/zinc/32/27/89/203322789.db2.gz RNBVVRLDGXLEHK-AWEZNQCLSA-N 1 0 314.385 2.108 10 0 DEAERO C[C@@H]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)[C@H]1c1cccc(F)c1 ZINC000262549573 203327275 /nfs/dbraw/zinc/32/72/75/203327275.db2.gz OLXFVTJXPVOWQO-SRCQZFHVSA-N 1 0 306.381 2.114 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000262587929 203340968 /nfs/dbraw/zinc/34/09/68/203340968.db2.gz TXMBZXDZMRFVQL-YJBOKZPZSA-N 1 0 306.450 2.422 10 0 DEAERO CCCNS(=O)(=O)c1ccccc1O[C@H]1CCC[C@H]([NH3+])C1 ZINC000093220166 193218332 /nfs/dbraw/zinc/21/83/32/193218332.db2.gz XFKJSSYLENKFBY-STQMWFEESA-N 1 0 312.435 2.024 10 0 DEAERO CN(CC(C)(C)C[NH3+])C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000262595924 203343962 /nfs/dbraw/zinc/34/39/62/203343962.db2.gz YCKABRJDRIPKEZ-UHFFFAOYSA-N 1 0 321.446 2.178 10 0 DEAERO C[C@H](Cc1cccs1)[N@H+](C)CCCn1cc(N)ccc1=O ZINC000093266518 193222887 /nfs/dbraw/zinc/22/28/87/193222887.db2.gz WDIIJUUBBNQUJF-CYBMUJFWSA-N 1 0 305.447 2.445 10 0 DEAERO C[NH2+][C@@H](Cc1cc(OC)ccc1Br)C(OC)OC ZINC000093304915 193227363 /nfs/dbraw/zinc/22/73/63/193227363.db2.gz LPSREHPFAUKKII-LBPRGKRZSA-N 1 0 318.211 2.207 10 0 DEAERO CS(=O)(=O)c1ccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093450949 193254172 /nfs/dbraw/zinc/25/41/72/193254172.db2.gz IFPYRGFPDLVBPE-HRCADAONSA-N 1 0 308.447 2.423 10 0 DEAERO COCCN1C(=[NH2+])NC[C@@]1(C)c1ccc(Cl)cc1Cl ZINC000093380296 193241039 /nfs/dbraw/zinc/24/10/39/193241039.db2.gz GJRLSHJZYXVYIB-ZDUSSCGKSA-N 1 0 302.205 2.485 10 0 DEAERO NC1=[NH+]C[C@@H]([C@@H]2CCOC2)N1c1cccc(Br)c1 ZINC000093387574 193241950 /nfs/dbraw/zinc/24/19/50/193241950.db2.gz AXTCNBLVKVDRRO-SKDRFNHKSA-N 1 0 310.195 2.199 10 0 DEAERO COc1ccc([C@@H]2CNC(=[NH2+])N2Cc2cccs2)cc1O ZINC000093392742 193242801 /nfs/dbraw/zinc/24/28/01/193242801.db2.gz OGAWFARJHODJQH-LBPRGKRZSA-N 1 0 303.387 2.334 10 0 DEAERO CC(C)(Cn1c(N)[nH+]c2cc(Cl)ccc21)S(C)(=O)=O ZINC000093524689 193263647 /nfs/dbraw/zinc/26/36/47/193263647.db2.gz HNHAFGDDLAWPDG-UHFFFAOYSA-N 1 0 301.799 2.095 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCn1cc(Cl)c(C)n1 ZINC000093616028 193275236 /nfs/dbraw/zinc/27/52/36/193275236.db2.gz RZBCYTFCPUPKFB-IUODEOHRSA-N 1 0 312.845 2.259 10 0 DEAERO CCc1ccccc1C[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697041 193291619 /nfs/dbraw/zinc/29/16/19/193291619.db2.gz LEMSBQIUDZHQBO-CQSZACIVSA-N 1 0 310.463 2.010 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000093696105 193291800 /nfs/dbraw/zinc/29/18/00/193291800.db2.gz MZVWKWPCMXIKLW-GFCCVEGCSA-N 1 0 316.854 2.101 10 0 DEAERO CC1(C)CCC([NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093696990 193292107 /nfs/dbraw/zinc/29/21/07/193292107.db2.gz MYLUXWHMKANBSO-ZDUSSCGKSA-N 1 0 302.484 2.216 10 0 DEAERO Cc1cccc([C@@](C)([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093699161 193293274 /nfs/dbraw/zinc/29/32/74/193293274.db2.gz JPCWMWDVJPZMJE-ZBFHGGJFSA-N 1 0 310.463 2.231 10 0 DEAERO C[C@]([NH3+])(Cc1ccccc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699211 193293488 /nfs/dbraw/zinc/29/34/88/193293488.db2.gz PRVGTIYIIKLYGC-HOTGVXAUSA-N 1 0 310.463 2.008 10 0 DEAERO CC1(C)CCC[C@@]([NH3+])(C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093699235 193293511 /nfs/dbraw/zinc/29/35/11/193293511.db2.gz XBWCNMRNQJZTEL-UKRRQHHQSA-N 1 0 302.484 2.346 10 0 DEAERO C[C@@H]1CCC[C@@]([NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093699269 193293598 /nfs/dbraw/zinc/29/35/98/193293598.db2.gz DOEMZNSTRBXNID-ILXRZTDVSA-N 1 0 302.484 2.346 10 0 DEAERO CCCSC[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]CC ZINC000093700442 193293885 /nfs/dbraw/zinc/29/38/85/193293885.db2.gz FVXGIOAJGRVIMY-KBPBESRZSA-N 1 0 322.540 2.169 10 0 DEAERO CC[C@@]1(C[C@H]2CCCN(S(C)(=O)=O)C2)CCCCC[NH2+]1 ZINC000093700776 193294795 /nfs/dbraw/zinc/29/47/95/193294795.db2.gz BZSFZHGTVMVXAA-CABCVRRESA-N 1 0 302.484 2.361 10 0 DEAERO CC(C)[NH2+]C[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093701403 193295016 /nfs/dbraw/zinc/29/50/16/193295016.db2.gz TUJDHKMRVWKKQK-GJZGRUSLSA-N 1 0 304.500 2.318 10 0 DEAERO Cc1ccccc1[C@@H](C[NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701650 193295076 /nfs/dbraw/zinc/29/50/76/193295076.db2.gz NTAPRDQTZCGRES-HUUCEWRRSA-N 1 0 310.463 2.099 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1c1nc2cc(F)c(Br)cc2[nH]1 ZINC000093728936 193298812 /nfs/dbraw/zinc/29/88/12/193298812.db2.gz GUJMLGMVKXZIEA-KSBSHMNSSA-N 1 0 314.158 2.166 10 0 DEAERO Cc1nn([C@@H]2CCC[C@]([NH2+]C3CC3)(C(N)=O)C2)c(C)c1Cl ZINC000093759582 193300960 /nfs/dbraw/zinc/30/09/60/193300960.db2.gz BLUVUUNMEDRXIG-IUODEOHRSA-N 1 0 310.829 2.245 10 0 DEAERO COC(=O)[C@]1([NH3+])CCC[C@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093777620 193304452 /nfs/dbraw/zinc/30/44/52/193304452.db2.gz YVOCPADVFKGUKU-BONVTDFDSA-N 1 0 305.403 2.468 10 0 DEAERO Cc1nnc(S[C@@H]2CCC[C@@]([NH2+]C(C)C)(C(N)=O)C2)s1 ZINC000093778418 193305564 /nfs/dbraw/zinc/30/55/64/193305564.db2.gz IXOMVSTXLAOIGY-MFKMUULPSA-N 1 0 314.480 2.103 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000093792946 193308201 /nfs/dbraw/zinc/30/82/01/193308201.db2.gz HXWMGPPPIZGTSQ-SOUVJXGZSA-N 1 0 317.433 2.335 10 0 DEAERO C[NH2+][C@@H](C)c1cccc(NS(=O)(=O)CCOC(C)C)c1 ZINC000093665841 193287805 /nfs/dbraw/zinc/28/78/05/193287805.db2.gz KKPGEXHAPIRBFZ-LBPRGKRZSA-N 1 0 300.424 2.134 10 0 DEAERO CCOC(=O)[C@@]1([NH3+])CC[C@@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093850332 193318116 /nfs/dbraw/zinc/31/81/16/193318116.db2.gz CXHHLSBOICZDRC-MEBBXXQBSA-N 1 0 305.403 2.468 10 0 DEAERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2nc3ccccc3o2)C1 ZINC000093850871 193318856 /nfs/dbraw/zinc/31/88/56/193318856.db2.gz ARWSKPXZFKUNCV-MEBBXXQBSA-N 1 0 305.403 2.306 10 0 DEAERO NC(=O)[C@@]1([NH3+])CC[C@@H](Sc2cccc(Br)c2)C1 ZINC000093852769 193319110 /nfs/dbraw/zinc/31/91/10/193319110.db2.gz KAHMPLRQHCQHFP-ZYHUDNBSSA-N 1 0 315.236 2.277 10 0 DEAERO OC[C@@]1([NH2+]C2CC2)CC[C@H](N2CCC(C(F)(F)F)CC2)C1 ZINC000093857503 193319597 /nfs/dbraw/zinc/31/95/97/193319597.db2.gz QEXPFDGUEVTWMZ-UONOGXRCSA-N 1 0 306.372 2.296 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000093878084 193322060 /nfs/dbraw/zinc/32/20/60/193322060.db2.gz KCKYDMWWSXFEFC-UHFFFAOYSA-N 1 0 310.463 2.171 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CN(C)CCN1C ZINC000093894932 193325527 /nfs/dbraw/zinc/32/55/27/193325527.db2.gz RSJFJFIUHZHMJJ-CABCVRRESA-N 1 0 316.276 2.370 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1CN(C)CCN1C ZINC000093894933 193325565 /nfs/dbraw/zinc/32/55/65/193325565.db2.gz RSJFJFIUHZHMJJ-LSDHHAIUSA-N 1 0 316.276 2.370 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccncc1Cl)[C@@H]1CN(CC)CCO1 ZINC000093915309 193328324 /nfs/dbraw/zinc/32/83/24/193328324.db2.gz MCPRZOVTZNKJDV-HOTGVXAUSA-N 1 0 311.857 2.366 10 0 DEAERO COc1ccc(Cl)cc1C[C@@H]([NH3+])[C@@H]1CN(C(C)C)CCO1 ZINC000093925746 193328608 /nfs/dbraw/zinc/32/86/08/193328608.db2.gz SUKROIKBYYFKFX-ZBFHGGJFSA-N 1 0 312.841 2.328 10 0 DEAERO CCN1CCO[C@H]([C@@H](Cc2nc(C(C)(C)C)cs2)[NH2+]C)C1 ZINC000094257040 193355692 /nfs/dbraw/zinc/35/56/92/193355692.db2.gz XEABZMDLNDCGJT-OLZOCXBDSA-N 1 0 311.495 2.292 10 0 DEAERO CCC[NH2+]CC1(CN(C)CCS(C)(=O)=O)CCC(C)CC1 ZINC000094300310 193357370 /nfs/dbraw/zinc/35/73/70/193357370.db2.gz ZLERHKSRMUZQDJ-UHFFFAOYSA-N 1 0 318.527 2.159 10 0 DEAERO CCC([NH3+])(CC)COc1nc(C(F)(F)F)ccc1C(N)=O ZINC000094337718 193360895 /nfs/dbraw/zinc/36/08/95/193360895.db2.gz QCJUHUTULHSKGM-UHFFFAOYSA-N 1 0 305.300 2.096 10 0 DEAERO CNC(=O)CCOc1c(F)cc(C[NH2+]C(C)(C)C)cc1F ZINC000094347856 193363450 /nfs/dbraw/zinc/36/34/50/193363450.db2.gz XGPZOWXYFONXJY-UHFFFAOYSA-N 1 0 300.349 2.368 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1Nc1ncc(Br)cc1C ZINC000094051480 193341291 /nfs/dbraw/zinc/34/12/91/193341291.db2.gz MIKKMAOOORZGBS-MXWKQRLJSA-N 1 0 300.200 2.069 10 0 DEAERO Cc1nn(C)c(C[C@@H]([NH3+])c2ccc(F)cn2)c1Br ZINC000094046537 193341399 /nfs/dbraw/zinc/34/13/99/193341399.db2.gz CYRPDNBTORJPMW-SECBINFHSA-N 1 0 313.174 2.268 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])c2ccc(F)cn2)c1Br ZINC000094046536 193342007 /nfs/dbraw/zinc/34/20/07/193342007.db2.gz CYRPDNBTORJPMW-VIFPVBQESA-N 1 0 313.174 2.268 10 0 DEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)c1ncc(Cl)cc1Cl ZINC000094200653 193348808 /nfs/dbraw/zinc/34/88/08/193348808.db2.gz BENXOIXGVREUMT-JTQLQIEISA-N 1 0 311.234 2.474 10 0 DEAERO CCCNc1ncc(C[N@H+](CCOC)[C@@H](C)COC)s1 ZINC000094192911 193348926 /nfs/dbraw/zinc/34/89/26/193348926.db2.gz UZVFLLUKUGXYJJ-LBPRGKRZSA-N 1 0 301.456 2.448 10 0 DEAERO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@](C)(N)C(F)(F)F ZINC000094235042 193353832 /nfs/dbraw/zinc/35/38/32/193353832.db2.gz BYKKMSKTRUZSAD-ZDUSSCGKSA-N 1 0 311.392 2.093 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@@H](OC2(C[NH3+])CCCCCC2)C1 ZINC000094634105 193385534 /nfs/dbraw/zinc/38/55/34/193385534.db2.gz HBZJCPDEYJXUNX-KGLIPLIRSA-N 1 0 303.468 2.411 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@H](Oc2c(F)cc(C[NH3+])cc2F)C1 ZINC000094634588 193386010 /nfs/dbraw/zinc/38/60/10/193386010.db2.gz DKCOEOZJIRZVCR-GHMZBOCLSA-N 1 0 319.373 2.158 10 0 DEAERO CCC[NH2+][C@H](c1ccncn1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642340 193389030 /nfs/dbraw/zinc/38/90/30/193389030.db2.gz QGCHQQVUPQHGNB-IPYPFGDCSA-N 1 0 311.451 2.121 10 0 DEAERO COCC[NH2+]CC/C=C(/C)[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094645285 193389441 /nfs/dbraw/zinc/38/94/41/193389441.db2.gz IEJADVYYWRSLJU-CGHRZIEDSA-N 1 0 303.468 2.162 10 0 DEAERO CCOc1cc(C[NH3+])cc(Br)c1O[C@H](C)[C@H](C)O ZINC000094653082 193390326 /nfs/dbraw/zinc/39/03/26/193390326.db2.gz LOBUMVYYDJLYEP-DTWKUNHWSA-N 1 0 318.211 2.455 10 0 DEAERO CCC[N@H+](CC(N)=S)[C@H]1CCOC2(CCSCC2)C1 ZINC000094375973 193367187 /nfs/dbraw/zinc/36/71/87/193367187.db2.gz NUUBVFPCVRVHBY-LBPRGKRZSA-N 1 0 302.509 2.429 10 0 DEAERO CC[N@H+](CCC(N)=S)[C@H]1CCOC2(CCSCC2)C1 ZINC000094375885 193367309 /nfs/dbraw/zinc/36/73/09/193367309.db2.gz QUKUQJZTRKWGBO-LBPRGKRZSA-N 1 0 302.509 2.429 10 0 DEAERO CCC[N@H+](CC(=O)OC)[C@H]1CCOC2(CCSCC2)C1 ZINC000094410661 193368709 /nfs/dbraw/zinc/36/87/09/193368709.db2.gz RLDMSOSNLLFEFP-ZDUSSCGKSA-N 1 0 301.452 2.316 10 0 DEAERO CCOC(=O)CC[N@H+](C)[C@H]1CCOC2(CCSCC2)C1 ZINC000094410703 193369106 /nfs/dbraw/zinc/36/91/06/193369106.db2.gz WGGLIIOLUFXKIX-ZDUSSCGKSA-N 1 0 301.452 2.316 10 0 DEAERO [NH3+]CCc1nc(-c2nc([C@H]3CSCCS3)no2)cs1 ZINC000094495880 193373928 /nfs/dbraw/zinc/37/39/28/193373928.db2.gz BRBOZAUZKFTFPG-MRVPVSSYSA-N 1 0 314.461 2.215 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1CN2CCN1CC2 ZINC000094509391 193375515 /nfs/dbraw/zinc/37/55/15/193375515.db2.gz CXPYPOPWBXYJAV-LSDHHAIUSA-N 1 0 314.260 2.124 10 0 DEAERO C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094509333 193375919 /nfs/dbraw/zinc/37/59/19/193375919.db2.gz NGHYRYZZCSDAQA-KBPBESRZSA-N 1 0 300.233 2.254 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc(SC(F)F)cc2)O1 ZINC000094565825 193380446 /nfs/dbraw/zinc/38/04/46/193380446.db2.gz WIJFSTSMXNHLDT-GXSJLCMTSA-N 1 0 302.346 2.446 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000094596190 193382656 /nfs/dbraw/zinc/38/26/56/193382656.db2.gz NJSLWFYVSDBLEF-SNVBAGLBSA-N 1 0 301.312 2.064 10 0 DEAERO CNc1c(C(=O)NCCC[NH+](C)C)cccc1C(F)(F)F ZINC000094598410 193382906 /nfs/dbraw/zinc/38/29/06/193382906.db2.gz SJYHPNWWDBMOHO-UHFFFAOYSA-N 1 0 303.328 2.429 10 0 DEAERO Clc1ccc2nc(N3CCC([C@H]4CCC[NH2+]4)CC3)nn2c1 ZINC000094608013 193384423 /nfs/dbraw/zinc/38/44/23/193384423.db2.gz DUZJJJHQVGZJCA-CYBMUJFWSA-N 1 0 305.813 2.351 10 0 DEAERO [NH3+]C1CCC(Nc2nc3c(Br)cccn3n2)CC1 ZINC000094609151 193384542 /nfs/dbraw/zinc/38/45/42/193384542.db2.gz FLQQJUSAVSFCKD-UHFFFAOYSA-N 1 0 310.199 2.174 10 0 DEAERO CCCN(c1nc2ccc(Br)cn2n1)[C@H]1CC[NH2+]C1 ZINC000094608119 193384674 /nfs/dbraw/zinc/38/46/74/193384674.db2.gz JKTFZIFHDBAXRA-NSHDSACASA-N 1 0 324.226 2.070 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCN(c2nc3c(Br)cccn3n2)C1 ZINC000094608430 193384862 /nfs/dbraw/zinc/38/48/62/193384862.db2.gz MVABZGFDRMBUMK-UWVGGRQHSA-N 1 0 324.226 2.055 10 0 DEAERO NC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000094750378 193395454 /nfs/dbraw/zinc/39/54/54/193395454.db2.gz DNGGLJASSQMKDE-JQWIXIFHSA-N 1 0 309.797 2.285 10 0 DEAERO NC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000094750377 193395603 /nfs/dbraw/zinc/39/56/03/193395603.db2.gz DNGGLJASSQMKDE-PWSUYJOCSA-N 1 0 309.797 2.285 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@@]2(C)CCCO2)c1Br ZINC000094782760 193397883 /nfs/dbraw/zinc/39/78/83/193397883.db2.gz IKYXGGPJHULOQV-DGCLKSJQSA-N 1 0 316.243 2.184 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000094801009 193399294 /nfs/dbraw/zinc/39/92/94/193399294.db2.gz LNKVHWZDESROEF-UHFFFAOYSA-N 1 0 310.463 2.487 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(C(N)=S)c1)[N@@H+]1CCC(C)(C)C1 ZINC000094803265 193399398 /nfs/dbraw/zinc/39/93/98/193399398.db2.gz QKQXPGOKEYXUFN-NSHDSACASA-N 1 0 305.447 2.380 10 0 DEAERO Cc1c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)[nH]c2c1C(=O)CCC2 ZINC000265023399 204350504 /nfs/dbraw/zinc/35/05/04/204350504.db2.gz YPSHLOVXMAENAE-AAEUAGOBSA-N 1 0 315.417 2.151 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(N(C)C)nc2)CC[N@@H+]1C ZINC000266361450 205293400 /nfs/dbraw/zinc/29/34/00/205293400.db2.gz JGLWMKHUFHBHGT-JSGCOSHPSA-N 1 0 305.426 2.094 10 0 DEAERO CCC[C@H](C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1)[NH+](C)C ZINC000161578695 197505322 /nfs/dbraw/zinc/50/53/22/197505322.db2.gz QXSYAXXEMZWLBK-BXUZGUMPSA-N 1 0 306.410 2.085 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2ccc(O)cc2)C1=O ZINC000019766855 182144034 /nfs/dbraw/zinc/14/40/34/182144034.db2.gz HGHQCKHAWGXBCX-SWLSCSKDSA-N 1 0 302.374 2.289 10 0 DEAERO COC(C)(C)C[NH2+]CC(=O)Nc1ccccc1Br ZINC000160234838 197394778 /nfs/dbraw/zinc/39/47/78/197394778.db2.gz AQCIYHUCPBCLDR-UHFFFAOYSA-N 1 0 315.211 2.402 10 0 DEAERO O=C1C[C@H]([NH2+]C2Cc3ccccc3C2)C(=O)N1c1cccc(F)c1 ZINC000021344546 182272628 /nfs/dbraw/zinc/27/26/28/182272628.db2.gz RZVVATUEACZJMI-KRWDZBQOSA-N 1 0 324.355 2.215 10 0 DEAERO CN(C(=O)c1cccc(F)c1Br)[C@H](C[NH3+])C1CC1 ZINC000159863895 197369666 /nfs/dbraw/zinc/36/96/66/197369666.db2.gz NOPSUNSFZQRAKH-LLVKDONJSA-N 1 0 315.186 2.398 10 0 DEAERO COc1ccccc1S(=O)(=O)NCC1([NH3+])CCCCCC1 ZINC000036266815 182812548 /nfs/dbraw/zinc/81/25/48/182812548.db2.gz FOGASDCJLOSJHU-UHFFFAOYSA-N 1 0 312.435 2.025 10 0 DEAERO COc1cc(C[NH3+])cc(Br)c1O[C@H]1CCC[C@H]1O ZINC000037711746 182919559 /nfs/dbraw/zinc/91/95/59/182919559.db2.gz BWIRPHURRHPUBQ-MNOVXSKESA-N 1 0 316.195 2.209 10 0 DEAERO CCOCCOc1c(Br)cc(CC[NH3+])cc1OC ZINC000037720731 182920035 /nfs/dbraw/zinc/92/00/35/182920035.db2.gz MZBPEQHXFBWTIO-UHFFFAOYSA-N 1 0 318.211 2.374 10 0 DEAERO COC(=O)CCCOc1ccc(Br)cc1CC[NH3+] ZINC000037720906 182920047 /nfs/dbraw/zinc/92/00/47/182920047.db2.gz GADQEXYVSRLZPT-UHFFFAOYSA-N 1 0 316.195 2.282 10 0 DEAERO [NH3+]CCc1cc(Cl)cc(Cl)c1OCC(=O)NC1CC1 ZINC000037722065 182920424 /nfs/dbraw/zinc/92/04/24/182920424.db2.gz ZHTNHHUOIVRZDB-UHFFFAOYSA-N 1 0 303.189 2.152 10 0 DEAERO Cc1nc2ccccn2c1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000038582350 183003418 /nfs/dbraw/zinc/00/34/18/183003418.db2.gz BMCMLAJWPTYOGE-UHFFFAOYSA-N 1 0 314.433 2.493 10 0 DEAERO CCOC(=O)CC[N@H+](C)C[C@H](C(=O)OCC)c1ccccc1 ZINC000039286583 183016381 /nfs/dbraw/zinc/01/63/81/183016381.db2.gz ZWQJIPBVYNPNIG-HNNXBMFYSA-N 1 0 307.390 2.218 10 0 DEAERO C[C@H]1C[N@H+](CCCC(=O)Nc2cc(Cl)ccc2N)CCO1 ZINC000040162776 183042456 /nfs/dbraw/zinc/04/24/56/183042456.db2.gz BMZHQQBWWGVKRO-NSHDSACASA-N 1 0 311.813 2.362 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000040635260 183112196 /nfs/dbraw/zinc/11/21/96/183112196.db2.gz JOQDBPYMMSXSNS-LSDHHAIUSA-N 1 0 308.809 2.208 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000040635976 183112237 /nfs/dbraw/zinc/11/22/37/183112237.db2.gz AVVYMRPXTMXIEE-RRFJBIMHSA-N 1 0 308.809 2.380 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040634676 183112816 /nfs/dbraw/zinc/11/28/16/183112816.db2.gz POHFPGXSGYDZFE-ONGXEEELSA-N 1 0 302.827 2.127 10 0 DEAERO CC(C)COC[C@@H](O)C[NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000040669126 183115568 /nfs/dbraw/zinc/11/55/68/183115568.db2.gz SCXUAQRUOKEXHI-IXDOHACOSA-N 1 0 300.487 2.120 10 0 DEAERO CCC[C@H]([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000040856028 183142786 /nfs/dbraw/zinc/14/27/86/183142786.db2.gz RLWZLJQAHBYMIR-JTQLQIEISA-N 1 0 310.419 2.479 10 0 DEAERO CCCS(=O)(=O)c1ccc(N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750543 183128652 /nfs/dbraw/zinc/12/86/52/183128652.db2.gz URRUWZCHGZCIGW-LQDVMPOASA-N 1 0 308.447 2.329 10 0 DEAERO CC[NH+](CC)C[C@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000041677182 183215170 /nfs/dbraw/zinc/21/51/70/183215170.db2.gz XLIYLBSJGBCHDF-ZDUSSCGKSA-N 1 0 313.467 2.079 10 0 DEAERO CCNS(=O)(=O)c1ccccc1N[C@@H](C)C[NH+](CC)CC ZINC000041677083 183215222 /nfs/dbraw/zinc/21/52/22/183215222.db2.gz JSYWPKOOCSAFFA-ZDUSSCGKSA-N 1 0 313.467 2.127 10 0 DEAERO CCCNC(=O)COc1c(Br)cccc1C[NH2+]C ZINC000042411561 183265365 /nfs/dbraw/zinc/26/53/65/183265365.db2.gz KQQBBBKLYTXOEQ-UHFFFAOYSA-N 1 0 315.211 2.074 10 0 DEAERO CCN(CCC[NH2+][C@H](c1cccs1)C1CC1)S(C)(=O)=O ZINC000042331520 183255469 /nfs/dbraw/zinc/25/54/69/183255469.db2.gz LNZYKMUMBNAHRJ-AWEZNQCLSA-N 1 0 316.492 2.460 10 0 DEAERO CCN(CC(F)(F)F)[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000042739637 183303938 /nfs/dbraw/zinc/30/39/38/183303938.db2.gz BWARFIMYVVLWAR-JTQLQIEISA-N 1 0 303.328 2.357 10 0 DEAERO COCCN(CCOC)[C@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042945352 183319858 /nfs/dbraw/zinc/31/98/58/183319858.db2.gz LXOYZUWAVDKHAU-WFASDCNBSA-N 1 0 300.830 2.323 10 0 DEAERO CC(C)N(CCO)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955222 183321255 /nfs/dbraw/zinc/32/12/55/183321255.db2.gz RIKLPGIZTYONOU-CYBMUJFWSA-N 1 0 301.228 2.152 10 0 DEAERO COc1ccc([C@H](Sc2nnnn2C2CC2)[C@@H](C)[NH3+])cc1 ZINC000042964654 183324605 /nfs/dbraw/zinc/32/46/05/183324605.db2.gz OQQGQJAJPMTSND-NOZJJQNGSA-N 1 0 305.407 2.197 10 0 DEAERO COCCN(CCOC)[C@@H](c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000043014675 183327881 /nfs/dbraw/zinc/32/78/81/183327881.db2.gz DRQMPSHWFKJSFD-SWLSCSKDSA-N 1 0 300.830 2.323 10 0 DEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c1 ZINC000042782206 183308598 /nfs/dbraw/zinc/30/85/98/183308598.db2.gz JMDFKGVUFGCXKZ-SECBINFHSA-N 1 0 322.352 2.422 10 0 DEAERO CCCN(CC(F)(F)F)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000042781311 183308622 /nfs/dbraw/zinc/30/86/22/183308622.db2.gz XRNHGHIRDGVNCA-NSHDSACASA-N 1 0 316.389 2.123 10 0 DEAERO CNC(=O)C1CCN([C@@H](c2ccccc2Cl)[C@H](C)[NH3+])CC1 ZINC000043051538 183332982 /nfs/dbraw/zinc/33/29/82/183332982.db2.gz ZPEMKXUDJOQATD-XHDPSFHLSA-N 1 0 309.841 2.186 10 0 DEAERO CCC[NH2+][C@@H](C)c1cccc(NS(=O)(=O)CCOC)c1 ZINC000042808966 183311589 /nfs/dbraw/zinc/31/15/89/183311589.db2.gz HZHWDFNKQPRWLW-LBPRGKRZSA-N 1 0 300.424 2.135 10 0 DEAERO COC(=O)CS[C@H](C[NH3+])c1ccccc1Br ZINC000043096299 183337634 /nfs/dbraw/zinc/33/76/34/183337634.db2.gz ICTXSDPNZOUVMB-SNVBAGLBSA-N 1 0 304.209 2.355 10 0 DEAERO C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300260 183352621 /nfs/dbraw/zinc/35/26/21/183352621.db2.gz VQZGDMUGKLTQRL-CMPLNLGQSA-N 1 0 318.236 2.144 10 0 DEAERO Ic1cccc(N[C@H]2CCC[NH2+]C2)c1 ZINC000043325234 183354857 /nfs/dbraw/zinc/35/48/57/183354857.db2.gz KFYUNMRFGWYFPN-NSHDSACASA-N 1 0 302.159 2.455 10 0 DEAERO Ic1ccc(OC[C@@H]2CCC[NH2+]2)cc1 ZINC000043496969 183367491 /nfs/dbraw/zinc/36/74/91/183367491.db2.gz GQJSRLBAIYUZDK-JTQLQIEISA-N 1 0 303.143 2.422 10 0 DEAERO CN(Cc1cscn1)c1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000043410470 183359845 /nfs/dbraw/zinc/35/98/45/183359845.db2.gz JDZQUUYHOVGLBW-UHFFFAOYSA-N 1 0 301.419 2.337 10 0 DEAERO NC(=S)c1cc2c(nc1NCC[NH+]1CCCCC1)CCC2 ZINC000043408921 183360235 /nfs/dbraw/zinc/36/02/35/183360235.db2.gz ZTXFFONUFGPQPF-UHFFFAOYSA-N 1 0 304.463 2.102 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N(CCC[NH3+])CC(C)C ZINC000043417004 183360663 /nfs/dbraw/zinc/36/06/63/183360663.db2.gz IGPUWWJTMOFCRA-UHFFFAOYSA-N 1 0 302.415 2.130 10 0 DEAERO C[NH2+]Cc1c(N2CCO[C@H]3CCCC[C@@H]32)nc2sccn12 ZINC000043426696 183361937 /nfs/dbraw/zinc/36/19/37/183361937.db2.gz FHFRXNBQJFJITL-AAEUAGOBSA-N 1 0 306.435 2.263 10 0 DEAERO C[C@@H]1CCC[C@H](N(C)S(=O)(=O)c2ccc(CC[NH3+])cc2)C1 ZINC000044594532 183426468 /nfs/dbraw/zinc/42/64/68/183426468.db2.gz KXNDPNUESHAEEV-HIFRSBDPSA-N 1 0 310.463 2.387 10 0 DEAERO CCCCOCCOCCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045473593 183511217 /nfs/dbraw/zinc/51/12/17/183511217.db2.gz YYMFRJQWRNTUEC-MRXNPFEDSA-N 1 0 302.459 2.232 10 0 DEAERO Cc1nc(C)c(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)s1 ZINC000273967263 211224205 /nfs/dbraw/zinc/22/42/05/211224205.db2.gz LEPNSMDBMUUYOD-QWRGUYRKSA-N 1 0 306.391 2.346 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c(F)c1 ZINC000104735514 194033164 /nfs/dbraw/zinc/03/31/64/194033164.db2.gz SXPKEOJNVHZYJW-CYBMUJFWSA-N 1 0 314.426 2.287 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000273958847 211213520 /nfs/dbraw/zinc/21/35/20/211213520.db2.gz ZABZAGYBLGVZJR-UKRRQHHQSA-N 1 0 305.422 2.017 10 0 DEAERO COCc1ccccc1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105122564 194075725 /nfs/dbraw/zinc/07/57/25/194075725.db2.gz DQWUKZQUSTVNHP-KRWDZBQOSA-N 1 0 317.433 2.213 10 0 DEAERO COC1([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)CCOCC1 ZINC000453054301 284740651 /nfs/dbraw/zinc/74/06/51/284740651.db2.gz HIIPEZBJMQNRHZ-WBVHZDCISA-N 1 0 306.450 2.463 10 0 DEAERO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000105566491 194110737 /nfs/dbraw/zinc/11/07/37/194110737.db2.gz PIIASMLOODDSSS-LBPRGKRZSA-N 1 0 316.323 2.196 10 0 DEAERO Cc1ccc(N2CCC[N@H+](CCOc3ccccc3)CC2)nn1 ZINC000105800710 194132551 /nfs/dbraw/zinc/13/25/51/194132551.db2.gz TUYSZMACBIZEPW-UHFFFAOYSA-N 1 0 312.417 2.376 10 0 DEAERO CN(c1cccnn1)C1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000105910252 194167029 /nfs/dbraw/zinc/16/70/29/194167029.db2.gz OKEDRFHITZDHGF-UHFFFAOYSA-N 1 0 320.437 2.109 10 0 DEAERO Cc1ccc2nc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)cn2c1 ZINC000105919415 194168053 /nfs/dbraw/zinc/16/80/53/194168053.db2.gz PYOYVZUQZWOYIK-HNNXBMFYSA-N 1 0 310.405 2.146 10 0 DEAERO Cc1oc(-c2cccs2)nc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105925639 194170321 /nfs/dbraw/zinc/17/03/21/194170321.db2.gz XOASGHWQRCCIFK-ZDUSSCGKSA-N 1 0 321.446 2.474 10 0 DEAERO COCC[N@@H+]1CCN(Cc2cccc(OC(F)F)c2)C[C@@H]1C ZINC000106107207 194185396 /nfs/dbraw/zinc/18/53/96/194185396.db2.gz CNEMOUMYCGXSBY-ZDUSSCGKSA-N 1 0 314.376 2.441 10 0 DEAERO COc1ccc(Cl)cc1CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000106100086 194186299 /nfs/dbraw/zinc/18/62/99/194186299.db2.gz HHMQIAPDJCSIAF-CHWSQXEVSA-N 1 0 312.841 2.236 10 0 DEAERO COc1cccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106425723 194211828 /nfs/dbraw/zinc/21/18/28/194211828.db2.gz LPECYDMNKGIZJJ-SFHVURJKSA-N 1 0 312.413 2.484 10 0 DEAERO COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106425406 194212078 /nfs/dbraw/zinc/21/20/78/194212078.db2.gz UOBFEKBRBLCZTI-KRWDZBQOSA-N 1 0 312.413 2.484 10 0 DEAERO O=C(NC1[C@H]2C[NH2+]C[C@@H]12)c1cc2cccc(Br)c2o1 ZINC000048787540 183686788 /nfs/dbraw/zinc/68/67/88/183686788.db2.gz BJXNXNSUIFHMHQ-USUYBEQLSA-N 1 0 321.174 2.143 10 0 DEAERO CCC(CC)(C[NH3+])N(C)S(=O)(=O)c1ccc(F)cc1C ZINC000050093684 183772914 /nfs/dbraw/zinc/77/29/14/183772914.db2.gz PWEKNPLNBLLXJN-UHFFFAOYSA-N 1 0 302.415 2.272 10 0 DEAERO CN(C1(C[NH3+])CCCCC1)S(=O)(=O)c1cc(F)ccc1F ZINC000050092715 183772421 /nfs/dbraw/zinc/77/24/21/183772421.db2.gz OIIHRLFHQQGCDJ-UHFFFAOYSA-N 1 0 318.389 2.247 10 0 DEAERO [NH3+]C1CCN(CC(=O)c2ccc(Br)s2)CC1 ZINC000050158325 183775174 /nfs/dbraw/zinc/77/51/74/183775174.db2.gz CEGDEJAPZOXAOJ-UHFFFAOYSA-N 1 0 303.225 2.116 10 0 DEAERO CC[C@H](C[NH3+])N1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000109460059 194265369 /nfs/dbraw/zinc/26/53/69/194265369.db2.gz JSGMORXKVWFSFK-OAHLLOKOSA-N 1 0 311.857 2.204 10 0 DEAERO C[C@@H](c1noc(-c2ccc(F)cc2Cl)n1)N1CC[NH2+]CC1 ZINC000109473842 194268354 /nfs/dbraw/zinc/26/83/54/194268354.db2.gz YZAYDFABNSPMEI-VIFPVBQESA-N 1 0 310.760 2.495 10 0 DEAERO O=C(CSc1cccc(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC000159347337 197346936 /nfs/dbraw/zinc/34/69/36/197346936.db2.gz XQIXDPCLYHLKRX-UHFFFAOYSA-N 1 0 304.337 2.229 10 0 DEAERO CC[NH2+]C[C@H]1CC[C@@H](Cn2nc(C)c(Br)c2C)O1 ZINC000052573700 183865364 /nfs/dbraw/zinc/86/53/64/183865364.db2.gz QYVUCIMTTNJSOB-NEPJUHHUSA-N 1 0 316.243 2.420 10 0 DEAERO CC1CCC2(CSC(NC3CCS(=O)(=O)CC3)=[NH+]2)CC1 ZINC000053100111 183886995 /nfs/dbraw/zinc/88/69/95/183886995.db2.gz NAIIUBNWAAZDDE-UHFFFAOYSA-N 1 0 316.492 2.205 10 0 DEAERO Cc1ccc(C(N)=S)c(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000110278656 194319111 /nfs/dbraw/zinc/31/91/11/194319111.db2.gz GMLJXFSYJJVTBC-ZDUSSCGKSA-N 1 0 304.463 2.089 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N1C[C@H](C)Cc2ccccc21 ZINC000110389905 194327059 /nfs/dbraw/zinc/32/70/59/194327059.db2.gz BHHHSAVGQBLITN-CQSZACIVSA-N 1 0 310.463 2.403 10 0 DEAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000534530111 284848903 /nfs/dbraw/zinc/84/89/03/284848903.db2.gz MQBOXZYXJPUMBL-ZIAGYGMSSA-N 1 0 301.415 2.205 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCNC(=O)[C@@H]1CC ZINC000110677645 194349045 /nfs/dbraw/zinc/34/90/45/194349045.db2.gz HFTMJNBZIUYJDO-ILXRZTDVSA-N 1 0 309.841 2.329 10 0 DEAERO CN(C(=O)c1cc(F)cc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000110926824 194370085 /nfs/dbraw/zinc/37/00/85/194370085.db2.gz PKUGCXWRZLQOAS-GFCCVEGCSA-N 1 0 315.186 2.412 10 0 DEAERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000110928290 194370658 /nfs/dbraw/zinc/37/06/58/194370658.db2.gz CQYLBLMHSGUUCD-NSHDSACASA-N 1 0 322.352 2.078 10 0 DEAERO CCCN[C@](C)(CC[N@H+](CC)CCOCC)C(=O)OCC ZINC000111121701 194391873 /nfs/dbraw/zinc/39/18/73/194391873.db2.gz ZSJHMDVWDLQXGI-MRXNPFEDSA-N 1 0 302.459 2.056 10 0 DEAERO O=C1CCCCCN1CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193945490 296317203 /nfs/dbraw/zinc/31/72/03/296317203.db2.gz BEPHAHNUWYFUBU-HYVNUMGLSA-N 1 0 306.450 2.326 10 0 DEAERO C[N@@H+](CC(=O)Nc1ccc(N)cc1Cl)C[C@H]1CCCOC1 ZINC000111154875 194396632 /nfs/dbraw/zinc/39/66/32/194396632.db2.gz ZAGTWOXIDBZQOS-LLVKDONJSA-N 1 0 311.813 2.219 10 0 DEAERO CCOCCN(C)[C@@H](C[NH3+])c1cc(Cl)c2c(c1)OCCO2 ZINC000157118119 197162730 /nfs/dbraw/zinc/16/27/30/197162730.db2.gz STQRKULFCOEKGP-ZDUSSCGKSA-N 1 0 314.813 2.079 10 0 DEAERO [NH3+]CCCCn1cc(Br)cc(Br)c1=O ZINC000057832571 184056054 /nfs/dbraw/zinc/05/60/54/184056054.db2.gz SZLUSCIPJUUXGC-UHFFFAOYSA-N 1 0 324.016 2.112 10 0 DEAERO [NH3+][C@@H]1C[C@@H](N2CCN(c3nccs3)CC2)c2ccccc21 ZINC000157503011 197192022 /nfs/dbraw/zinc/19/20/22/197192022.db2.gz UJKFWYULYACIRV-HUUCEWRRSA-N 1 0 300.431 2.410 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC000058561876 184122686 /nfs/dbraw/zinc/12/26/86/184122686.db2.gz XKZYDOTVOFIKFZ-HNNXBMFYSA-N 1 0 310.463 2.456 10 0 DEAERO O=S(=O)(CCC1CC[NH2+]CC1)Nc1cc(F)c(F)c(F)c1 ZINC000061120358 184162452 /nfs/dbraw/zinc/16/24/52/184162452.db2.gz QQBHUQTUVNNDQQ-UHFFFAOYSA-N 1 0 322.352 2.235 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000061270357 184167218 /nfs/dbraw/zinc/16/72/18/184167218.db2.gz JYHRZFWVDNXELQ-JTQLQIEISA-N 1 0 307.785 2.247 10 0 DEAERO CC[NH2+]CCC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000061298872 184167486 /nfs/dbraw/zinc/16/74/86/184167486.db2.gz CQLLGMSZAMLJAI-UHFFFAOYSA-N 1 0 304.312 2.244 10 0 DEAERO CC(C)[NH2+]CCc1nnc(-c2ccc(Br)cn2)o1 ZINC000061871436 184190384 /nfs/dbraw/zinc/19/03/84/184190384.db2.gz BYFBVAFDXOCWGD-UHFFFAOYSA-N 1 0 311.183 2.435 10 0 DEAERO CC[NH2+]CCCc1nnc(-c2ccc(Br)cn2)o1 ZINC000061871404 184190715 /nfs/dbraw/zinc/19/07/15/184190715.db2.gz FCOLZCILKCRGOC-UHFFFAOYSA-N 1 0 311.183 2.436 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1ccccc1Cl ZINC000061592681 184175444 /nfs/dbraw/zinc/17/54/44/184175444.db2.gz FCNRMOUDKMWIMS-WDEREUQCSA-N 1 0 312.826 2.333 10 0 DEAERO CCn1c(S[C@H](c2ccc(Cl)s2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594371 184176030 /nfs/dbraw/zinc/17/60/30/184176030.db2.gz RTDNOFMMDPAVGG-MUWHJKNJSA-N 1 0 318.855 2.487 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C(C)C)c1ccncc1 ZINC000061595089 184176583 /nfs/dbraw/zinc/17/65/83/184176583.db2.gz ALXQJRVPYJZCLA-RYUDHWBXSA-N 1 0 307.423 2.118 10 0 DEAERO CC[C@H](Oc1ccc(Br)cc1[C@@H](C)[NH3+])C(N)=O ZINC000061676068 184181956 /nfs/dbraw/zinc/18/19/56/184181956.db2.gz QQELFQFMCWRCSC-XCBNKYQSSA-N 1 0 301.184 2.112 10 0 DEAERO O=c1cc(C[N@H+]2CC[C@@H](O)C2)c2ccc(Br)cc2o1 ZINC000061708719 184185005 /nfs/dbraw/zinc/18/50/05/184185005.db2.gz VLZDGRYWWRCRMR-LLVKDONJSA-N 1 0 324.174 2.122 10 0 DEAERO COc1cc(Cl)c([C@H]([NH3+])C[C@H](C)CC(N)=O)cc1OC ZINC000061830333 184188715 /nfs/dbraw/zinc/18/87/15/184188715.db2.gz JHZKEFQVHJHABF-GZMMTYOYSA-N 1 0 300.786 2.259 10 0 DEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000158211576 197253315 /nfs/dbraw/zinc/25/33/15/197253315.db2.gz YVJPRQBKMJJHQF-BPLDGKMQSA-N 1 0 308.447 2.388 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000554724323 291778955 /nfs/dbraw/zinc/77/89/55/291778955.db2.gz CYXLSISRKBEYBZ-DLBZAZTESA-N 1 0 322.474 2.442 10 0 DEAERO C[C@@H](c1ccccc1Cl)N(C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014437 184200884 /nfs/dbraw/zinc/20/08/84/184200884.db2.gz SVHQTFQOQUEXDE-ZDUSSCGKSA-N 1 0 309.841 2.155 10 0 DEAERO C[C@@H](C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000062010858 184201156 /nfs/dbraw/zinc/20/11/56/184201156.db2.gz GIIVCESMCULOGZ-STQMWFEESA-N 1 0 309.841 2.153 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000061883593 184191947 /nfs/dbraw/zinc/19/19/47/184191947.db2.gz OADATOACODCDCI-PHDIDXHHSA-N 1 0 308.250 2.239 10 0 DEAERO COCCC[NH+]1[C@@H](C)CN(C(=O)c2cccc(F)c2)C[C@@H]1C ZINC000062180851 184213805 /nfs/dbraw/zinc/21/38/05/184213805.db2.gz VKNIHCOECRXGBD-KBPBESRZSA-N 1 0 308.397 2.397 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Br)cc1)N1CCn2ccnc2C1 ZINC000062246186 184225266 /nfs/dbraw/zinc/22/52/66/184225266.db2.gz SSRVZYUCKXUIMC-ZDUSSCGKSA-N 1 0 321.222 2.161 10 0 DEAERO CC[NH2+][C@@H](c1cc(F)c(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000062706583 184248657 /nfs/dbraw/zinc/24/86/57/184248657.db2.gz JKSPIBOJCFZYAP-AMIZOPFISA-N 1 0 307.337 2.189 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)ccc1O[C@H](C)C(=O)OC ZINC000062731113 184251093 /nfs/dbraw/zinc/25/10/93/184251093.db2.gz JOANPGITRPWTHX-SNVBAGLBSA-N 1 0 301.770 2.016 10 0 DEAERO [NH3+][C@H](CNC(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000062837664 184255619 /nfs/dbraw/zinc/25/56/19/184255619.db2.gz XMKDGVXSMFBKLB-GFCCVEGCSA-N 1 0 320.190 2.274 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062857139 184257051 /nfs/dbraw/zinc/25/70/51/184257051.db2.gz CQOYLBCSZYWDLV-ZDUSSCGKSA-N 1 0 310.360 2.194 10 0 DEAERO CCC[C@]1(C(=O)Nc2cc(C(N)=O)ccc2Cl)CC[NH2+]C1 ZINC000062891980 184258596 /nfs/dbraw/zinc/25/85/96/184258596.db2.gz YVUFDUXEJMAVGY-HNNXBMFYSA-N 1 0 309.797 2.157 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1ccc(Br)cn1 ZINC000063210043 184278337 /nfs/dbraw/zinc/27/83/37/184278337.db2.gz JYBAREFNZPGMDQ-GHMZBOCLSA-N 1 0 312.211 2.234 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000063213698 184278785 /nfs/dbraw/zinc/27/87/85/184278785.db2.gz HYTOZQLHGOGVDC-CHWSQXEVSA-N 1 0 320.817 2.417 10 0 DEAERO Clc1nc(Cl)nc(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000062983402 184264439 /nfs/dbraw/zinc/26/44/39/184264439.db2.gz MZEFYMUIZMNHID-VIFPVBQESA-N 1 0 302.209 2.243 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnc(NC)c(Cl)c2)C1 ZINC000062984836 184265112 /nfs/dbraw/zinc/26/51/12/184265112.db2.gz BHXCQZFOSJLCGA-GFCCVEGCSA-N 1 0 310.829 2.333 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])Cc1ccccc1Br ZINC000063017361 184266995 /nfs/dbraw/zinc/26/69/95/184266995.db2.gz PWZXEHXYHFGTCV-LLVKDONJSA-N 1 0 320.252 2.144 10 0 DEAERO Cc1cc(Br)ccc1OC[C@@H](O)C[NH2+]C1CC1 ZINC000063061884 184268816 /nfs/dbraw/zinc/26/88/16/184268816.db2.gz MVJLQVXHFUTKFC-LBPRGKRZSA-N 1 0 300.196 2.249 10 0 DEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCCC(F)(F)F)c1 ZINC000063101543 184270704 /nfs/dbraw/zinc/27/07/04/184270704.db2.gz NXZGBNNHGOLDBG-VIFPVBQESA-N 1 0 310.341 2.198 10 0 DEAERO O=C1C[C@H]([NH2+]CCC(F)(F)F)C(=O)N1C1CCCCCC1 ZINC000063099822 184270740 /nfs/dbraw/zinc/27/07/40/184270740.db2.gz UROQBAQYIPJVFA-NSHDSACASA-N 1 0 306.328 2.379 10 0 DEAERO CNc1ccc(Cl)c(C(=O)N(C)CC2CC[NH+](C)CC2)n1 ZINC000063125809 184271628 /nfs/dbraw/zinc/27/16/28/184271628.db2.gz MMGKIAGKXVGYGU-UHFFFAOYSA-N 1 0 310.829 2.191 10 0 DEAERO CC(C)(C)n1cc(C2=CC[N@H+](CCN3CCCC3=O)CC2)cn1 ZINC000065534278 184361851 /nfs/dbraw/zinc/36/18/51/184361851.db2.gz QXKUUSZJOBWEDK-UHFFFAOYSA-N 1 0 316.449 2.350 10 0 DEAERO C[NH+]1CCC(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)CC1 ZINC000175704921 207362828 /nfs/dbraw/zinc/36/28/28/207362828.db2.gz ZKFUFTCEIRSEOD-UHFFFAOYSA-N 1 0 318.421 2.174 10 0 DEAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186921276 207368530 /nfs/dbraw/zinc/36/85/30/207368530.db2.gz QEFHASHMAVQBBF-IRXDYDNUSA-N 1 0 307.409 2.499 10 0 DEAERO CC[NH2+][C@H](C)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000068645983 184495817 /nfs/dbraw/zinc/49/58/17/184495817.db2.gz YNTBEEATLJNPCW-VXGBXAGGSA-N 1 0 313.419 2.008 10 0 DEAERO CC[NH2+][C@](C)(C[C@@H](C)n1ccnc1-c1cccs1)C(N)=O ZINC000068649617 184496429 /nfs/dbraw/zinc/49/64/29/184496429.db2.gz ANHIPYUVTKDVOD-IAQYHMDHSA-N 1 0 306.435 2.416 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1csc(Nc2ccccn2)n1 ZINC000537214531 284987190 /nfs/dbraw/zinc/98/71/90/284987190.db2.gz IJZWYILRYFLHJR-UHFFFAOYSA-N 1 0 319.434 2.305 10 0 DEAERO CC[C@H](COC)[NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000119025693 194958457 /nfs/dbraw/zinc/95/84/57/194958457.db2.gz RCANVSNXNSNDKI-HUUCEWRRSA-N 1 0 312.479 2.444 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC[C@@H](C)O)cc1Cn1cccn1 ZINC000119068154 194968165 /nfs/dbraw/zinc/96/81/65/194968165.db2.gz OQKPEAIXBYYUSE-KGLIPLIRSA-N 1 0 303.406 2.362 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CSCC(=O)c1ccccc1 ZINC000538314913 285031473 /nfs/dbraw/zinc/03/14/73/285031473.db2.gz ADTJZAAZCBUYIZ-UHFFFAOYSA-N 1 0 308.447 2.013 10 0 DEAERO CCN(CCc1nccs1)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000119676743 195014758 /nfs/dbraw/zinc/01/47/58/195014758.db2.gz HBMINWQLFYWIGB-ZDUSSCGKSA-N 1 0 312.483 2.447 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCCc1nc(C2CC2)no1 ZINC000119827639 195044142 /nfs/dbraw/zinc/04/41/42/195044142.db2.gz PQVULHNKQQRERT-AWEZNQCLSA-N 1 0 322.453 2.362 10 0 DEAERO CCN(C[C@H]1CC[N@@H+]([C@@H](C(=O)OC)C2CC2)C1)CC(F)(F)F ZINC000359607051 285090162 /nfs/dbraw/zinc/09/01/62/285090162.db2.gz ZSONJTQRQMDASI-DGCLKSJQSA-N 1 0 322.371 2.144 10 0 DEAERO CC[NH2+][C@@H](CSc1nnc2n1CCCCC2)[C@@H]1CCOC1 ZINC000159258751 197340340 /nfs/dbraw/zinc/34/03/40/197340340.db2.gz WWNVZFMWWSBAHP-OLZOCXBDSA-N 1 0 310.467 2.111 10 0 DEAERO CCC1(CC)CN(C2CCS(=O)CC2)[C@@H](C(C)C)C[NH2+]1 ZINC000159213933 197337602 /nfs/dbraw/zinc/33/76/02/197337602.db2.gz XSIWPUUATZXDMM-RDYUPDBUSA-N 1 0 300.512 2.386 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000159095478 197326291 /nfs/dbraw/zinc/32/62/91/197326291.db2.gz JOZCBSAHIBBLNE-SNVBAGLBSA-N 1 0 316.785 2.050 10 0 DEAERO CCN(CC)S(=O)(=O)c1cc(C)c(F)c(C[NH2+]C2CC2)c1 ZINC000159049514 197322014 /nfs/dbraw/zinc/32/20/14/197322014.db2.gz GLFODFZZYXDDLG-UHFFFAOYSA-N 1 0 314.426 2.417 10 0 DEAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2COc3ccccc32)C1 ZINC000158928788 197312545 /nfs/dbraw/zinc/31/25/45/197312545.db2.gz OOBFOOUYWJTVCH-GOEBONIOSA-N 1 0 317.433 2.397 10 0 DEAERO CC[C@H]1CCC[NH2+][C@H]1CNS(=O)(=O)CC1CCCCC1 ZINC000158991969 197316840 /nfs/dbraw/zinc/31/68/40/197316840.db2.gz SCFQBSJKNHDJEF-GJZGRUSLSA-N 1 0 302.484 2.264 10 0 DEAERO O=C(Cc1c[nH]c2ncccc12)N1CCC([NH+]2CCCC2)CC1 ZINC000158853819 197305943 /nfs/dbraw/zinc/30/59/43/197305943.db2.gz HPTWYESJGKCBBH-UHFFFAOYSA-N 1 0 312.417 2.192 10 0 DEAERO CCO[C@H](C[NH3+])CC[S@](=O)c1ccccc1Br ZINC000158841225 197305536 /nfs/dbraw/zinc/30/55/36/197305536.db2.gz XQPRDSQQGYQPHW-DYZYQPBXSA-N 1 0 320.252 2.311 10 0 DEAERO [NH3+][C@H](CSc1ccc(Br)cn1)[C@H]1CCOC1 ZINC000158784539 197300900 /nfs/dbraw/zinc/30/09/00/197300900.db2.gz LFBAWTPVNRWPSN-WCBMZHEXSA-N 1 0 303.225 2.300 10 0 DEAERO CN(c1ccccc1)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000120255942 195129245 /nfs/dbraw/zinc/12/92/45/195129245.db2.gz RNDWHXNJQPBDQJ-KRWDZBQOSA-N 1 0 301.434 2.256 10 0 DEAERO NNc1ccc(Cl)c(Cn2ccc3sccc3c2=O)[nH+]1 ZINC000158555696 197282370 /nfs/dbraw/zinc/28/23/70/197282370.db2.gz ZQQHBXHXSZZAFD-UHFFFAOYSA-N 1 0 306.778 2.445 10 0 DEAERO [NH3+]C[C@@H](c1cccc(Br)c1)[C@@H](O)c1ncccn1 ZINC000158514854 197280274 /nfs/dbraw/zinc/28/02/74/197280274.db2.gz OHXYZCZBHCTAIF-NWDGAFQWSA-N 1 0 308.179 2.015 10 0 DEAERO CC(C)(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000158237835 197256191 /nfs/dbraw/zinc/25/61/91/197256191.db2.gz XGBRDLBRKKFTNB-VWYCJHECSA-N 1 0 310.360 2.366 10 0 DEAERO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)[C@H]([NH3+])C(C)(C)C ZINC000158236071 197255585 /nfs/dbraw/zinc/25/55/85/197255585.db2.gz DZXPCMLSTGZUQA-LBPRGKRZSA-N 1 0 311.813 2.354 10 0 DEAERO CCC[C@@H](C(=O)N1CCC[C@@H](CCC(=O)OCC)C1)[NH+](C)C ZINC000120304887 195138449 /nfs/dbraw/zinc/13/84/49/195138449.db2.gz OCVBSJPWQUKXHL-GJZGRUSLSA-N 1 0 312.454 2.299 10 0 DEAERO C[C@](F)(Cc1ccc(Br)cn1)C[C@@H]1COCC[NH2+]1 ZINC000157601679 197200780 /nfs/dbraw/zinc/20/07/80/197200780.db2.gz JNTLVLWCHUDFRX-OLZOCXBDSA-N 1 0 317.202 2.493 10 0 DEAERO O=S(=O)(NCCC1CCC1)c1ccsc1C[NH2+]C1CC1 ZINC000157503413 197192223 /nfs/dbraw/zinc/19/22/23/197192223.db2.gz IACCHIJOPZRGLY-UHFFFAOYSA-N 1 0 314.476 2.469 10 0 DEAERO CCCN[C@](C)(CCC[N@H+](C)CCOC(C)C)C(=O)OC ZINC000157525831 197193607 /nfs/dbraw/zinc/19/36/07/197193607.db2.gz QQVRZZUHUPBMCE-MRXNPFEDSA-N 1 0 302.459 2.055 10 0 DEAERO O=C(NCC[C@@H]1CCC[NH2+]1)c1cc(F)cc(Br)c1 ZINC000157398274 197184360 /nfs/dbraw/zinc/18/43/60/197184360.db2.gz ONGAHKAKQIEUEZ-LBPRGKRZSA-N 1 0 315.186 2.460 10 0 DEAERO CC[NH+](CC)CCNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000157291073 197177681 /nfs/dbraw/zinc/17/76/81/197177681.db2.gz CKJQFNXFBNRZPI-HNNXBMFYSA-N 1 0 309.410 2.013 10 0 DEAERO CCOCCN(C)[C@H](C[NH3+])c1cc(Cl)c2c(c1)OCCO2 ZINC000157118280 197162835 /nfs/dbraw/zinc/16/28/35/197162835.db2.gz STQRKULFCOEKGP-CYBMUJFWSA-N 1 0 314.813 2.079 10 0 DEAERO CC[NH+](CC)[C@@H](CNc1ccc(C(=O)NC)nn1)CC(C)C ZINC000156754062 197138268 /nfs/dbraw/zinc/13/82/68/197138268.db2.gz MANWITYLCCWNHL-CYBMUJFWSA-N 1 0 307.442 2.005 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](CC2([NH3+])CCCCCCC2)C1 ZINC000156773498 197139084 /nfs/dbraw/zinc/13/90/84/197139084.db2.gz HSPGAZTTYYRNGQ-CQSZACIVSA-N 1 0 302.484 2.490 10 0 DEAERO Cc1ccc2ncc(C[NH2+][C@@H]3CCCN(c4cccnn4)C3)n2c1 ZINC000156583431 197125765 /nfs/dbraw/zinc/12/57/65/197125765.db2.gz SVSPIVSWDYJWDY-OAHLLOKOSA-N 1 0 322.416 2.191 10 0 DEAERO O=C1C[C@@H]([NH2+]C[C@@H]2CCCCS2)C(=O)N1C1CCCCC1 ZINC000156411930 197110782 /nfs/dbraw/zinc/11/07/82/197110782.db2.gz QYGHIWDWUMLNBT-UONOGXRCSA-N 1 0 310.463 2.322 10 0 DEAERO Cc1cccc(S(=O)(=O)CCC[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000156479060 197117314 /nfs/dbraw/zinc/11/73/14/197117314.db2.gz MKKSLYLZIZFNDS-HOCLYGCPSA-N 1 0 311.447 2.316 10 0 DEAERO Cc1cccc([S@@](=O)CC(=O)Nc2ccccc2C[NH3+])c1 ZINC000156022579 197080586 /nfs/dbraw/zinc/08/05/86/197080586.db2.gz GQTHPEMBNDXYSM-OAQYLSRUSA-N 1 0 302.399 2.200 10 0 DEAERO CC1(C)C[NH2+]CCN1C(=O)c1cccc(F)c1Br ZINC000156001658 197078957 /nfs/dbraw/zinc/07/89/57/197078957.db2.gz SHFYRGOGHQMGGZ-UHFFFAOYSA-N 1 0 315.186 2.412 10 0 DEAERO C[C@@H]1CCN(C(=O)c2cccc(F)c2Br)C[C@H]1[NH3+] ZINC000155995454 197079061 /nfs/dbraw/zinc/07/90/61/197079061.db2.gz RBFDCAFWDPJDGF-LDYMZIIASA-N 1 0 315.186 2.398 10 0 DEAERO CC(C)[C@H](O)C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000155950315 197076394 /nfs/dbraw/zinc/07/63/94/197076394.db2.gz GIAWTFZNJCNMII-CYBMUJFWSA-N 1 0 314.223 2.491 10 0 DEAERO CCNS(=O)(=O)c1ccc(N[C@](C)(C[NH3+])CC(C)C)cc1 ZINC000155928412 197075971 /nfs/dbraw/zinc/07/59/71/197075971.db2.gz SOFBTSTXCUKWFQ-HNNXBMFYSA-N 1 0 313.467 2.160 10 0 DEAERO Cc1csc2nc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)cc(=O)n12 ZINC000155518141 197062887 /nfs/dbraw/zinc/06/28/87/197062887.db2.gz FERQANHYDXFERW-OCCSQVGLSA-N 1 0 319.430 2.065 10 0 DEAERO Cc1cccc([C@@H]2CC[N@H+](C[C@H](O)COC[C@H]3CCCO3)C2)c1 ZINC000542321914 285218184 /nfs/dbraw/zinc/21/81/84/285218184.db2.gz QGUVOYDXYNUDHC-CEXWTWQISA-N 1 0 319.445 2.341 10 0 DEAERO COc1cc(C)c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1OC ZINC000155630028 197073317 /nfs/dbraw/zinc/07/33/17/197073317.db2.gz VGYGNBJJQPAJKG-DZGCQCFKSA-N 1 0 320.433 2.471 10 0 DEAERO O=c1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2ccccn12 ZINC000161935244 285219332 /nfs/dbraw/zinc/21/93/32/285219332.db2.gz VANDJNBHSXHEMF-GDBMZVCRSA-N 1 0 324.428 2.148 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1ccc(OC(F)F)cc1 ZINC000155436933 197054800 /nfs/dbraw/zinc/05/48/00/197054800.db2.gz BEYGMDITGXPATA-VXGBXAGGSA-N 1 0 312.360 2.382 10 0 DEAERO COc1cc(OC)cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155411875 197052481 /nfs/dbraw/zinc/05/24/81/197052481.db2.gz IUQKDVDEGPODLR-LRDDRELGSA-N 1 0 306.406 2.162 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1coc(-c2cccs2)n1 ZINC000155165747 197027876 /nfs/dbraw/zinc/02/78/76/197027876.db2.gz UJRLDNZMMMDYPC-RYUDHWBXSA-N 1 0 319.430 2.497 10 0 DEAERO C[C@@H](c1ccccn1)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000155115811 197023853 /nfs/dbraw/zinc/02/38/53/197023853.db2.gz JELGYTMNHOXXIR-INIZCTEOSA-N 1 0 313.449 2.436 10 0 DEAERO O=C(NC[C@H]1CN(C2CC2)CCO1)c1ccc(Cl)c(F)c1 ZINC000155108359 197022315 /nfs/dbraw/zinc/02/23/15/197022315.db2.gz MKHDWGLEKJGLAG-LBPRGKRZSA-N 1 0 312.772 2.072 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1ccc(OC)c(O)c1 ZINC000492668278 285233085 /nfs/dbraw/zinc/23/30/85/285233085.db2.gz BNFRDJQMYYPSDB-WKTRQSJXSA-N 1 0 318.417 2.357 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000245475093 285239046 /nfs/dbraw/zinc/23/90/46/285239046.db2.gz ROODHZIUXKTSGE-RHSMWYFYSA-N 1 0 307.482 2.192 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCOC(C)(C)C2)CC1 ZINC000120682743 195215172 /nfs/dbraw/zinc/21/51/72/195215172.db2.gz YXONUFKGRTYNNS-YMAMQOFZSA-N 1 0 311.470 2.364 10 0 DEAERO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000151397852 196675139 /nfs/dbraw/zinc/67/51/39/196675139.db2.gz KQIYQVAKVHOFHT-OAHLLOKOSA-N 1 0 323.481 2.319 10 0 DEAERO CC[N@@H+]1C[C@@H](COC)[C@@]2(CCN(C(=O)Cc3ccccc3)C2)C1 ZINC000249700720 257107445 /nfs/dbraw/zinc/10/74/45/257107445.db2.gz XVCBUFZETZIXPC-HKUYNNGSSA-N 1 0 316.445 2.046 10 0 DEAERO Cc1nnc([C@]23CCO[C@H]2CC[N@H+](Cc2scnc2C)C3)o1 ZINC000248034632 257110935 /nfs/dbraw/zinc/11/09/35/257110935.db2.gz QLBPAXZSIJBEBT-ZFWWWQNUSA-N 1 0 320.418 2.076 10 0 DEAERO Cc1nccc([C@@H]2C[C@@H]3C[N@@H+](C4CCOCC4)CC[C@H]3O2)n1 ZINC000247972567 257112613 /nfs/dbraw/zinc/11/26/13/257112613.db2.gz TWSSLUHKZCPTOO-XYPHTWIQSA-N 1 0 303.406 2.116 10 0 DEAERO Cc1cccc(C[N@@H+]2C[C@@H]3CCN(c4cnccn4)C[C@@H]3C2)n1 ZINC000247868596 257116096 /nfs/dbraw/zinc/11/60/96/257116096.db2.gz JVDSWLVXZCEQAM-HOTGVXAUSA-N 1 0 309.417 2.138 10 0 DEAERO O=C(NC[C@@H]1OC[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000247384294 257119125 /nfs/dbraw/zinc/11/91/25/257119125.db2.gz JYPANWBJBCZHQH-KURKYZTESA-N 1 0 314.429 2.050 10 0 DEAERO C1CC1c1nnc([C@H]2C[C@H]3CC[N@@H+](C4CCOCC4)C[C@@H]3O2)o1 ZINC000253596495 257105001 /nfs/dbraw/zinc/10/50/01/257105001.db2.gz RWURHEYDIIMMSX-YUELXQCFSA-N 1 0 319.405 2.278 10 0 DEAERO c1cnc(NC[C@@H]2CCC[C@@]3(CC[N@H+](CC4CC4)C3)O2)nc1 ZINC000253590675 257105690 /nfs/dbraw/zinc/10/56/90/257105690.db2.gz DHZWTLIXOOJNGT-RDJZCZTQSA-N 1 0 302.422 2.312 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000121022656 195281290 /nfs/dbraw/zinc/28/12/90/195281290.db2.gz LIIUBLDRUHOZBS-ZDUSSCGKSA-N 1 0 317.433 2.039 10 0 DEAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)C(F)(F)F ZINC000121814804 195353360 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FC(F)(F)CN1CC[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000562416276 291983382 /nfs/dbraw/zinc/98/33/82/291983382.db2.gz DIMVDLFEBKGAPI-JTQLQIEISA-N 1 0 314.311 2.396 10 0 DEAERO CCN(C(C)=O)c1nc(CN[C@@H]2CCC[N@H+](CC)C2)cs1 ZINC000040502728 132478590 /nfs/dbraw/zinc/47/85/90/132478590.db2.gz RNMTTXXWHSHEMV-CYBMUJFWSA-N 1 0 310.467 2.090 10 0 DEAERO CCc1nc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cs1 ZINC000176169265 132518209 /nfs/dbraw/zinc/51/82/09/132518209.db2.gz HHVQKCWGUKFKOA-AAEUAGOBSA-N 1 0 310.467 2.378 10 0 DEAERO Cc1ccccc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176891815 132523302 /nfs/dbraw/zinc/52/33/02/132523302.db2.gz ANKLGUOQKARYIT-OAHLLOKOSA-N 1 0 304.434 2.160 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)/C=C/c3ccccc3)C[C@H]21 ZINC000228542873 132551900 /nfs/dbraw/zinc/55/19/00/132551900.db2.gz QEHQIWCBKNEMOO-OUUZNBFFSA-N 1 0 306.431 2.046 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245783491 132571359 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LBMWHPNNWSJEML-XJKSGUPXSA-N 1 0 317.339 2.235 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000189215944 145023719 /nfs/dbraw/zinc/02/37/19/145023719.db2.gz PYQVMNQZIJGJNQ-VXGBXAGGSA-N 1 0 305.344 2.487 10 0 DEAERO Cc1nn(C)cc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000189639959 145031492 /nfs/dbraw/zinc/03/14/92/145031492.db2.gz XTYZRTXOCVQHLF-UHFFFAOYSA-N 1 0 305.426 2.211 10 0 DEAERO CCOC1CC(CCNC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000190047018 145037351 /nfs/dbraw/zinc/03/73/51/145037351.db2.gz FZMUHCIHOYAVRJ-QQFBHYJXSA-N 1 0 311.470 2.365 10 0 DEAERO O=C(C1CC[NH+](C[C@H](O)CC2CCCC2)CC1)N1CCCC1 ZINC000190296877 145040499 /nfs/dbraw/zinc/04/04/99/145040499.db2.gz AQANBMLETFGJKJ-QGZVFWFLSA-N 1 0 308.466 2.262 10 0 DEAERO COCCOc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000190746775 145047603 /nfs/dbraw/zinc/04/76/03/145047603.db2.gz DRBOJULWVXMLTQ-HNNXBMFYSA-N 1 0 318.417 2.068 10 0 DEAERO CC(C)(C)n1cc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)nn1 ZINC000191299248 145055781 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145098230 /nfs/dbraw/zinc/09/82/30/145098230.db2.gz IADSZFSVUYVCGG-BBWFWOEESA-N 1 0 323.481 2.317 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)c1ccncc1 ZINC000246318628 145098545 /nfs/dbraw/zinc/09/85/45/145098545.db2.gz NVVLKUQWQCPXSN-BMFZPTHFSA-N 1 0 302.422 2.411 10 0 DEAERO Cc1cc(C)cc(CCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000246363845 145100455 /nfs/dbraw/zinc/10/04/55/145100455.db2.gz YMPBVOBWEKUFIF-SJORKVTESA-N 1 0 318.461 2.150 10 0 DEAERO Cc1ccsc1CNC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246587961 145107827 /nfs/dbraw/zinc/10/78/27/145107827.db2.gz FRDCKYMKYYNBCD-UONOGXRCSA-N 1 0 309.479 2.087 10 0 DEAERO COc1ccc(OCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000246604786 145108053 /nfs/dbraw/zinc/10/80/53/145108053.db2.gz JDDLMWJFOFNQHM-XKQJLSEDSA-N 1 0 318.417 2.111 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2cccs2)no1 ZINC000246817904 145115512 /nfs/dbraw/zinc/11/55/12/145115512.db2.gz CIJAMAFPAMEPRC-RYUDHWBXSA-N 1 0 304.419 2.467 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn(C(C)(C)C)c1 ZINC000246846781 145116455 /nfs/dbraw/zinc/11/64/55/145116455.db2.gz CASOFIADTFVKAN-CABCVRRESA-N 1 0 304.438 2.337 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCCCCC1 ZINC000246848297 145116592 /nfs/dbraw/zinc/11/65/92/145116592.db2.gz CAPPZVAAAJRPTF-WBVHZDCISA-N 1 0 318.465 2.447 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2nc(C)sc2C)[C@@H](C)C1 ZINC000246897831 145118185 /nfs/dbraw/zinc/11/81/85/145118185.db2.gz FFNJDDROWCRHNA-NHYWBVRUSA-N 1 0 309.479 2.491 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000246904565 145119275 /nfs/dbraw/zinc/11/92/75/145119275.db2.gz FNSPSQUCRJHENM-GZWGPKMKSA-N 1 0 324.490 2.185 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@](C)(O)CCC(C)C ZINC000246926189 145119696 /nfs/dbraw/zinc/11/96/96/145119696.db2.gz DMZPSZGQIMHLKT-WBVHZDCISA-N 1 0 313.486 2.347 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2Oc3ccccc3[C@@H]2C)C1 ZINC000246930944 145120005 /nfs/dbraw/zinc/12/00/05/145120005.db2.gz MOWDZOQUGWCBPL-JJRVBVJISA-N 1 0 302.418 2.494 10 0 DEAERO C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000246958407 145120141 /nfs/dbraw/zinc/12/01/41/145120141.db2.gz IKOXHHAFPYAXRE-HUUCEWRRSA-N 1 0 314.437 2.187 10 0 DEAERO CCCc1noc(CCCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000246962916 145121028 /nfs/dbraw/zinc/12/10/28/145121028.db2.gz FWDTXIUIVXSLSW-KGLIPLIRSA-N 1 0 322.453 2.190 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1c[nH]c2ncccc12 ZINC000246965108 145121100 /nfs/dbraw/zinc/12/11/00/145121100.db2.gz FWNJPHVWLCHBNA-CABCVRRESA-N 1 0 312.417 2.191 10 0 DEAERO O[C@H](C[N@@H+]1CCC[C@@H](n2cncn2)C1)c1ccccc1Cl ZINC000246995064 145122220 /nfs/dbraw/zinc/12/22/20/145122220.db2.gz BELCGTSJPQFTIB-IUODEOHRSA-N 1 0 306.797 2.302 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1cccc(C)c1 ZINC000246995929 145122573 /nfs/dbraw/zinc/12/25/73/145122573.db2.gz POYNEXGZLYJYMM-CVEARBPZSA-N 1 0 302.418 2.459 10 0 DEAERO CC[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247011358 145122706 /nfs/dbraw/zinc/12/27/06/145122706.db2.gz WGYUXGALODWQFP-XJKSGUPXSA-N 1 0 324.852 2.186 10 0 DEAERO Cc1nc(C)c(CCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)s1 ZINC000247041189 145124419 /nfs/dbraw/zinc/12/44/19/145124419.db2.gz GPMVWYGUKLBSNC-BXUZGUMPSA-N 1 0 322.478 2.181 10 0 DEAERO CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cn2cncn2)C1)C(C)C ZINC000247091010 145126475 /nfs/dbraw/zinc/12/64/75/145126475.db2.gz HOYLVLUKJFJZBJ-JKSUJKDBSA-N 1 0 321.469 2.024 10 0 DEAERO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000247141900 145127830 /nfs/dbraw/zinc/12/78/30/145127830.db2.gz LCJLKVIEKQWQAT-HUUCEWRRSA-N 1 0 306.454 2.387 10 0 DEAERO CC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccncc1 ZINC000247249104 145130615 /nfs/dbraw/zinc/13/06/15/145130615.db2.gz YPXKOKBUAKPZLV-HOTGVXAUSA-N 1 0 302.422 2.412 10 0 DEAERO Cc1nn(C)c2sc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc12 ZINC000247259624 145130774 /nfs/dbraw/zinc/13/07/74/145130774.db2.gz DYIRFKMRBLOPJQ-JQWIXIFHSA-N 1 0 320.462 2.498 10 0 DEAERO CCOCCN1CC[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1CC ZINC000247251253 145130953 /nfs/dbraw/zinc/13/09/53/145130953.db2.gz UABCTPMNXYBCIV-OALUTQOASA-N 1 0 320.477 2.023 10 0 DEAERO CCc1noc2ncc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)cc12 ZINC000247253207 145130982 /nfs/dbraw/zinc/13/09/82/145130982.db2.gz NQUWQBCEFONPHT-YPMHNXCESA-N 1 0 314.389 2.094 10 0 DEAERO COCC[N@@H+]1CCN(CCOc2cc(C)ccc2C)C[C@@H]1C ZINC000247376660 145135451 /nfs/dbraw/zinc/13/54/51/145135451.db2.gz VKPPWGQCRAQSRU-KRWDZBQOSA-N 1 0 306.450 2.335 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(OC)c1 ZINC000247466068 145137951 /nfs/dbraw/zinc/13/79/51/145137951.db2.gz IVQDRGLEQBABGU-CVEARBPZSA-N 1 0 317.433 2.463 10 0 DEAERO COC[C@H](NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccc(C)o1 ZINC000247478738 145138292 /nfs/dbraw/zinc/13/82/92/145138292.db2.gz VXHCQEXAXGZWTO-YUELXQCFSA-N 1 0 323.437 2.303 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000247471582 145138501 /nfs/dbraw/zinc/13/85/01/145138501.db2.gz VHNGWBXSNPEKPH-KBAYOESNSA-N 1 0 317.477 2.004 10 0 DEAERO Cc1ccc(C)c(OCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000247508138 145139948 /nfs/dbraw/zinc/13/99/48/145139948.db2.gz VOLPSUIDEIXMCM-CVEARBPZSA-N 1 0 302.418 2.377 10 0 DEAERO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@H]3C2)CCN1c1ccccc1 ZINC000247955788 145145817 /nfs/dbraw/zinc/14/58/17/145145817.db2.gz FODMEYRDCNLCFF-KVSKMBFKSA-N 1 0 314.429 2.419 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3cc(F)ccc3F)CC[C@H]21 ZINC000248186224 145150341 /nfs/dbraw/zinc/15/03/41/145150341.db2.gz XKEONXPRYJPVMU-BLLLJJGKSA-N 1 0 308.372 2.450 10 0 DEAERO COc1ccc(F)cc1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248476596 145156686 /nfs/dbraw/zinc/15/66/86/145156686.db2.gz NUEMESDSZXELLB-DOMZBBRYSA-N 1 0 306.381 2.072 10 0 DEAERO CC[C@H]1CN(CCCOCc2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000248603965 145161169 /nfs/dbraw/zinc/16/11/69/145161169.db2.gz VUZVYSALAWFXKY-HKUYNNGSSA-N 1 0 320.477 2.370 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2nccn2C)C12CCOCC2 ZINC000248644361 145162795 /nfs/dbraw/zinc/16/27/95/145162795.db2.gz PTQSWXLIUHLESN-SOUVJXGZSA-N 1 0 307.438 2.435 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)CCOC ZINC000248716138 145165045 /nfs/dbraw/zinc/16/50/45/145165045.db2.gz FSMXWHZEALZQQH-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1c(C)nn(C)c1Cl ZINC000248812677 145168362 /nfs/dbraw/zinc/16/83/62/145168362.db2.gz HYTHTKYSVPNSER-MDZLAQPJSA-N 1 0 311.813 2.155 10 0 DEAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248878320 145171551 /nfs/dbraw/zinc/17/15/51/145171551.db2.gz RJEJXBARFFIVNA-FRFSOERESA-N 1 0 323.458 2.396 10 0 DEAERO CCC[C@H](C(=O)OCC)[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249556689 145186827 /nfs/dbraw/zinc/18/68/27/145186827.db2.gz KAKDIPHVRZYSOQ-RBSFLKMASA-N 1 0 311.447 2.488 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](c3ccccc3)C2)C1 ZINC000249772037 145189938 /nfs/dbraw/zinc/18/99/38/145189938.db2.gz SXDRHRNSAINFNJ-DLBZAZTESA-N 1 0 317.433 2.254 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2c2cccn2C)C1 ZINC000249772095 145190096 /nfs/dbraw/zinc/19/00/96/145190096.db2.gz SYXDYXDBBBWGAP-HOCLYGCPSA-N 1 0 304.438 2.356 10 0 DEAERO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000249873175 145190952 /nfs/dbraw/zinc/19/09/52/145190952.db2.gz GKNAYFWTMGSYRO-DOTOQJQBSA-N 1 0 303.450 2.044 10 0 DEAERO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000249900982 145191791 /nfs/dbraw/zinc/19/17/91/145191791.db2.gz SYAHEBHYSHVBMS-ZNMIVQPWSA-N 1 0 318.465 2.482 10 0 DEAERO COC1(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CCCCC1 ZINC000251654908 145195664 /nfs/dbraw/zinc/19/56/64/145195664.db2.gz JUPHWMLBRTYVIJ-GJZGRUSLSA-N 1 0 309.454 2.214 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCc3ccccc32)CC[C@H]1C ZINC000251986779 145197476 /nfs/dbraw/zinc/19/74/76/145197476.db2.gz VSFZHJCHDUJHLL-JKIFEVAISA-N 1 0 302.418 2.321 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000252696016 145199614 /nfs/dbraw/zinc/19/96/14/145199614.db2.gz LQQFMKYKLGLPNK-CVYDXHPNSA-N 1 0 323.481 2.052 10 0 DEAERO C[C@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)OCCO2 ZINC000261626225 145211543 /nfs/dbraw/zinc/21/15/43/145211543.db2.gz CQRWYPVFYXIYFV-BLLLJJGKSA-N 1 0 318.417 2.413 10 0 DEAERO C[C@@H](COc1ccccc1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261635686 145212418 /nfs/dbraw/zinc/21/24/18/145212418.db2.gz AJZWIGFMDKLXOT-HRCADAONSA-N 1 0 302.418 2.160 10 0 DEAERO CO[C@H]1CCN(CC(=O)Nc2ccc(C(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000261639985 145212562 /nfs/dbraw/zinc/21/25/62/145212562.db2.gz DSTRZVOUWDKOHX-SJORKVTESA-N 1 0 319.449 2.187 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261647491 145212997 /nfs/dbraw/zinc/21/29/97/145212997.db2.gz XPRZIOKLGNEZKC-ZDUSSCGKSA-N 1 0 302.827 2.008 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCc2ccccc2C1 ZINC000261649079 145213871 /nfs/dbraw/zinc/21/38/71/145213871.db2.gz FOKYJRXTZMWYGT-MDZRGWNJSA-N 1 0 314.429 2.104 10 0 DEAERO CC1(C)C[N@H+](CCC(=O)N2CCc3sccc3C2)CC[C@@H]1[NH3+] ZINC000261696628 145217601 /nfs/dbraw/zinc/21/76/01/145217601.db2.gz HVWZDKOJEIANBZ-HNNXBMFYSA-N 1 0 321.490 2.082 10 0 DEAERO Cc1cc(C)c(NC(=O)CN(C)C[C@]2(C)CC[NH2+]C2)c(C)c1 ZINC000261714772 145220333 /nfs/dbraw/zinc/22/03/33/145220333.db2.gz FFADDNOMBYOHEQ-GOSISDBHSA-N 1 0 303.450 2.482 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261724459 145220623 /nfs/dbraw/zinc/22/06/23/145220623.db2.gz NSSWPXIAGKAMIP-NVXWUHKLSA-N 1 0 317.477 2.401 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)n1 ZINC000261770829 145224150 /nfs/dbraw/zinc/22/41/50/145224150.db2.gz NBWBXFXOBVUCFC-JTNHKYCSSA-N 1 0 314.389 2.482 10 0 DEAERO [NH3+][C@@H](C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)C1CCOCC1 ZINC000261794975 145227597 /nfs/dbraw/zinc/22/75/97/145227597.db2.gz NUFVTUVMGZLURI-GOEBONIOSA-N 1 0 322.836 2.410 10 0 DEAERO CCc1cc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)ccc1C ZINC000261853015 145233831 /nfs/dbraw/zinc/23/38/31/145233831.db2.gz JPMMRLGUSPEKDH-UHFFFAOYSA-N 1 0 313.405 2.326 10 0 DEAERO CS(=O)(=O)c1ccc(-c2nc(C3([NH3+])CCCCC3)no2)cc1 ZINC000261854644 145233912 /nfs/dbraw/zinc/23/39/12/145233912.db2.gz DZNBNWBKVKCWBI-UHFFFAOYSA-N 1 0 321.402 2.258 10 0 DEAERO COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261859611 145234602 /nfs/dbraw/zinc/23/46/02/145234602.db2.gz OKQVPDFFPQTJFA-RRFJBIMHSA-N 1 0 310.438 2.004 10 0 DEAERO Fc1cccc(Oc2ncccc2CNC2=[NH+]CCCN2)c1 ZINC000261866620 145235449 /nfs/dbraw/zinc/23/54/49/145235449.db2.gz OBQGZWZGEJHWRZ-UHFFFAOYSA-N 1 0 300.337 2.452 10 0 DEAERO CSc1ccccc1S(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261874334 145236349 /nfs/dbraw/zinc/23/63/49/145236349.db2.gz UBDLJFQLIKMRMJ-ZDUSSCGKSA-N 1 0 314.476 2.156 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCc1cccc(F)c1 ZINC000261876655 145237119 /nfs/dbraw/zinc/23/71/19/145237119.db2.gz LYFSNGYGWRJNLR-RKVPGOIHSA-N 1 0 320.408 2.017 10 0 DEAERO CCc1ccc(NC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261890634 145237718 /nfs/dbraw/zinc/23/77/18/145237718.db2.gz ZPFSOUXQRXIXGM-SFHVURJKSA-N 1 0 324.428 2.229 10 0 DEAERO Cc1ccccc1C1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261903172 145239160 /nfs/dbraw/zinc/23/91/60/145239160.db2.gz WUAWVGAQGKDSQV-SFHVURJKSA-N 1 0 316.445 2.455 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc(Br)s1 ZINC000261907781 145240132 /nfs/dbraw/zinc/24/01/32/145240132.db2.gz XPQWKJWNXCJWSI-RKDXNWHRSA-N 1 0 317.252 2.249 10 0 DEAERO Cc1cc2c(cc1C)O[C@@H](C(=O)N1CC[C@H]3C[NH2+]C[C@H]3CC1)C2 ZINC000261914722 145241075 /nfs/dbraw/zinc/24/10/75/145241075.db2.gz XYXQBCLZHKEJSQ-RVKKMQEKSA-N 1 0 314.429 2.065 10 0 DEAERO [NH3+][C@H](C(=O)Nc1cc(C2CCCCC2)[nH]n1)C1CCOCC1 ZINC000261916760 145241467 /nfs/dbraw/zinc/24/14/67/145241467.db2.gz YEBHJEDUOPRFBH-HNNXBMFYSA-N 1 0 306.410 2.150 10 0 DEAERO c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261930922 145243241 /nfs/dbraw/zinc/24/32/41/145243241.db2.gz LRSOFNUCDBZMPP-SPUZQDLCSA-N 1 0 316.445 2.299 10 0 DEAERO CCOCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261934805 145244250 /nfs/dbraw/zinc/24/42/50/145244250.db2.gz MCWXZRAIUZWSQI-IPMKNSEASA-N 1 0 318.461 2.470 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1ccc(F)cc1F ZINC000261976927 145248976 /nfs/dbraw/zinc/24/89/76/145248976.db2.gz ZSPXYLMLVOILGJ-MRRJBJDNSA-N 1 0 324.371 2.114 10 0 DEAERO O=C(CN1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccccc1F ZINC000262003612 145252337 /nfs/dbraw/zinc/25/23/37/145252337.db2.gz VNWTZGGMYUTOEI-OAHLLOKOSA-N 1 0 305.397 2.228 10 0 DEAERO Fc1ccc(F)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000262016256 145253589 /nfs/dbraw/zinc/25/35/89/145253589.db2.gz WAUQMYKMJNZLBK-UAGQMJEPSA-N 1 0 310.388 2.254 10 0 DEAERO CC1(C)CN(C(=O)C[C@@H]2OCCc3ccccc32)CC[C@H]1[NH3+] ZINC000262017157 145253692 /nfs/dbraw/zinc/25/36/92/145253692.db2.gz OOAVDLPFCFSIIC-JKSUJKDBSA-N 1 0 302.418 2.276 10 0 DEAERO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)C2 ZINC000262023968 145254737 /nfs/dbraw/zinc/25/47/37/145254737.db2.gz WVESWYUBVQJQQB-OKYOBFRVSA-N 1 0 300.446 2.291 10 0 DEAERO C[C@@H]1CCC[C@@H](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262142341 145266179 /nfs/dbraw/zinc/26/61/79/145266179.db2.gz HFXJESTXZBFKAS-WTTBNOFXSA-N 1 0 318.465 2.056 10 0 DEAERO C[C@H](C(=O)Nc1ccc(Sc2nccn2C)cc1)C1C[NH2+]C1 ZINC000262297037 145274203 /nfs/dbraw/zinc/27/42/03/145274203.db2.gz ZLUFOUDKSKUVTC-NSHDSACASA-N 1 0 316.430 2.365 10 0 DEAERO COc1ccccc1OC[C@H](C)CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262301670 145275229 /nfs/dbraw/zinc/27/52/29/145275229.db2.gz AJIRYFBXZAKJLV-ILXRZTDVSA-N 1 0 320.433 2.214 10 0 DEAERO C[C@H]1C[C@@H](C(=O)Nc2cnn(-c3ccccc3F)c2)CC[NH2+]1 ZINC000262425036 145283817 /nfs/dbraw/zinc/28/38/17/145283817.db2.gz VMBAWACNCZFUGE-RYUDHWBXSA-N 1 0 302.353 2.338 10 0 DEAERO CC[NH2+][C@H](C)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000262468592 145286210 /nfs/dbraw/zinc/28/62/10/145286210.db2.gz OFLMVMMFUWLGMK-JMSVASOKSA-N 1 0 303.406 2.009 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262488518 145287659 /nfs/dbraw/zinc/28/76/59/145287659.db2.gz VWSMKHJHOTWPAJ-ISGYEWALSA-N 1 0 318.465 2.005 10 0 DEAERO C[C@H](NC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000262542364 145291259 /nfs/dbraw/zinc/29/12/59/145291259.db2.gz RGUBAVOLXIBAHT-SWLSCSKDSA-N 1 0 307.413 2.062 10 0 DEAERO CN(CCc1cccs1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262575844 145294333 /nfs/dbraw/zinc/29/43/33/145294333.db2.gz YDDCRIQRWJSAOU-JKIFEVAISA-N 1 0 322.474 2.282 10 0 DEAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000262576577 145295072 /nfs/dbraw/zinc/29/50/72/145295072.db2.gz YFWFMPFYOADSFR-GOEBONIOSA-N 1 0 321.490 2.300 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000262595213 145295574 /nfs/dbraw/zinc/29/55/74/145295574.db2.gz XKKXGJOJZVJHRD-ZACQAIPSSA-N 1 0 302.418 2.316 10 0 DEAERO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262617068 145296539 /nfs/dbraw/zinc/29/65/39/145296539.db2.gz ZEZAKZPHIPTOCQ-CYBMUJFWSA-N 1 0 315.417 2.025 10 0 DEAERO CCOCCOCC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000262926639 145311869 /nfs/dbraw/zinc/31/18/69/145311869.db2.gz FRFUGRMPWMYCPP-UHFFFAOYSA-N 1 0 320.311 2.156 10 0 DEAERO CC[C@@H](C)Oc1ccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263185048 145333587 /nfs/dbraw/zinc/33/35/87/145333587.db2.gz HGDQXUBQUOYBPJ-IUODEOHRSA-N 1 0 316.405 2.490 10 0 DEAERO Cc1nc(C(C)(C)C)sc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263204750 145336101 /nfs/dbraw/zinc/33/61/01/145336101.db2.gz JOHBSEFPSLPNJA-JTQLQIEISA-N 1 0 321.450 2.375 10 0 DEAERO COCC[C@@H](COC)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000336655118 145396044 /nfs/dbraw/zinc/39/60/44/145396044.db2.gz FTSSNILWHJGHRH-SFHVURJKSA-N 1 0 306.450 2.292 10 0 DEAERO CN(C(=O)c1cncc(Br)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000336811729 145398336 /nfs/dbraw/zinc/39/83/36/145398336.db2.gz OHDATBWSZDXELJ-CYBMUJFWSA-N 1 0 324.222 2.010 10 0 DEAERO O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261642313 304339586 /nfs/dbraw/zinc/33/95/86/304339586.db2.gz FAARHFDCJOIWIG-WNRNVDISSA-N 1 0 314.429 2.222 10 0 DEAERO c1cn(CCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)nn1 ZINC000346872358 146156456 /nfs/dbraw/zinc/15/64/56/146156456.db2.gz XZJGCQVOAWVTSD-WBVHZDCISA-N 1 0 300.406 2.426 10 0 DEAERO C[C@H]([NH2+]CCC1(F)CCC1)c1cccc(S(N)(=O)=O)c1 ZINC000348407917 146267269 /nfs/dbraw/zinc/26/72/69/146267269.db2.gz NLBUZWMXBFGUHO-NSHDSACASA-N 1 0 300.399 2.267 10 0 DEAERO Cc1cnc(CN2CCC[C@H](c3nncn3C(C)C)C2)nc1 ZINC000357379353 147096775 /nfs/dbraw/zinc/09/67/75/147096775.db2.gz FZVAWSQVVNXQNC-AWEZNQCLSA-N 1 0 300.410 2.337 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2C[S@](C)=O)C1 ZINC000358487733 147143116 /nfs/dbraw/zinc/14/31/16/147143116.db2.gz QZOSQGXRGNFNSW-XMHCIUCPSA-N 1 0 323.462 2.028 10 0 DEAERO C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000358509025 147147845 /nfs/dbraw/zinc/14/78/45/147147845.db2.gz VTIMQGNROVCPKK-FMKPAKJESA-N 1 0 305.422 2.108 10 0 DEAERO Cc1scc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1C ZINC000358544532 147153690 /nfs/dbraw/zinc/15/36/90/147153690.db2.gz MVKVWZMBRFBTIH-UHFFFAOYSA-N 1 0 321.490 2.219 10 0 DEAERO COC1CCC(N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000358668159 147177741 /nfs/dbraw/zinc/17/77/41/147177741.db2.gz PUMZXNRQZLACSB-UHFFFAOYSA-N 1 0 309.454 2.237 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1nc2ccccc2n1C ZINC000358709501 147187032 /nfs/dbraw/zinc/18/70/32/147187032.db2.gz AEAJZOOQNFFBQA-INIZCTEOSA-N 1 0 314.433 2.406 10 0 DEAERO COC(=O)[C@@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000358848774 147218265 /nfs/dbraw/zinc/21/82/65/147218265.db2.gz KTZKDRQNJLMFLZ-YOEHRIQHSA-N 1 0 304.434 2.438 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000358906263 147228281 /nfs/dbraw/zinc/22/82/81/147228281.db2.gz OEJRZERYMKHDRR-OAHLLOKOSA-N 1 0 311.470 2.032 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OC3CC3)cc2OC)C1 ZINC000359172360 147274997 /nfs/dbraw/zinc/27/49/97/147274997.db2.gz SDEXHSMOCNTXLY-ZDUSSCGKSA-N 1 0 318.417 2.308 10 0 DEAERO C[C@H](C(=O)NCc1ccc2cc[nH]c2n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359422351 147325183 /nfs/dbraw/zinc/32/51/83/147325183.db2.gz MRKLHTLHBXQNHT-FRRDWIJNSA-N 1 0 300.406 2.440 10 0 DEAERO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000370270916 148001417 /nfs/dbraw/zinc/00/14/17/148001417.db2.gz NVSQXDNBOAJFGJ-UHFFFAOYSA-N 1 0 320.400 2.471 10 0 DEAERO COc1ccc(OC)c(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000370707512 148046664 /nfs/dbraw/zinc/04/66/64/148046664.db2.gz FBZMELJKJMIOGH-KBXCAEBGSA-N 1 0 321.417 2.474 10 0 DEAERO COc1ccc(OC)c(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000370707514 148047151 /nfs/dbraw/zinc/04/71/51/148047151.db2.gz FBZMELJKJMIOGH-KSSFIOAISA-N 1 0 321.417 2.474 10 0 DEAERO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374707778 148280682 /nfs/dbraw/zinc/28/06/82/148280682.db2.gz RHPWQBGQGIVZTD-XJKSGUPXSA-N 1 0 321.465 2.365 10 0 DEAERO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000375003361 148314669 /nfs/dbraw/zinc/31/46/69/148314669.db2.gz VHDBDPDIWPXHEA-HNNXBMFYSA-N 1 0 321.469 2.171 10 0 DEAERO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000375471169 148377201 /nfs/dbraw/zinc/37/72/01/148377201.db2.gz PYHNAUXESUVBKI-BDXSIMOUSA-N 1 0 311.466 2.180 10 0 DEAERO Cc1cnc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(O)c1 ZINC000408229582 148578894 /nfs/dbraw/zinc/57/88/94/148578894.db2.gz UFOXSJMZCFJYBW-UHFFFAOYSA-N 1 0 303.406 2.186 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC(C)(C)CC1 ZINC000074167420 401731580 /nfs/dbraw/zinc/73/15/80/401731580.db2.gz NINDQUFTYKWRKA-OAHLLOKOSA-N 1 0 311.470 2.319 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCC1CC1 ZINC000074301610 401735268 /nfs/dbraw/zinc/73/52/68/401735268.db2.gz WLSQIJRITLZATG-PBHICJAKSA-N 1 0 316.449 2.391 10 0 DEAERO C[C@H](NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)C(C)(C)C ZINC000112461167 401746534 /nfs/dbraw/zinc/74/65/34/401746534.db2.gz MHABAZPUZNEPCC-KGLIPLIRSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000110628053 401692611 /nfs/dbraw/zinc/69/26/11/401692611.db2.gz MNVCSJNRHRHMOA-KBPBESRZSA-N 1 0 322.478 2.103 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000126673504 401704083 /nfs/dbraw/zinc/70/40/83/401704083.db2.gz JBROTAPHLLFFGL-IRXDYDNUSA-N 1 0 314.433 2.200 10 0 DEAERO O=C(OC1CC[NH2+]CC1)C(O)(c1ccccc1)c1ccccc1 ZINC000001485855 401707905 /nfs/dbraw/zinc/70/79/05/401707905.db2.gz CNWMSZBRGJWEKC-UHFFFAOYSA-N 1 0 311.381 2.218 10 0 DEAERO c1cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)cc2c1OCC2 ZINC000111301810 401710235 /nfs/dbraw/zinc/71/02/35/401710235.db2.gz CXDCMPBQWZFHJB-SFHVURJKSA-N 1 0 316.445 2.308 10 0 DEAERO O=C(c1cnn2c1CCCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000127053257 401718606 /nfs/dbraw/zinc/71/86/06/401718606.db2.gz PPUFTKNFLCWGNG-HNNXBMFYSA-N 1 0 316.449 2.310 10 0 DEAERO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)no1 ZINC000114483840 401801838 /nfs/dbraw/zinc/80/18/38/401801838.db2.gz CXJSGFOHEARSKF-CYBMUJFWSA-N 1 0 303.366 2.262 10 0 DEAERO CC(C)NC(=O)CC[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000114481038 401801893 /nfs/dbraw/zinc/80/18/93/401801893.db2.gz QCPBBVKEUWAOQM-UHFFFAOYSA-N 1 0 317.477 2.498 10 0 DEAERO CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1nccs1 ZINC000127963741 401757631 /nfs/dbraw/zinc/75/76/31/401757631.db2.gz SHINZWWXXKGVLU-CHWSQXEVSA-N 1 0 319.434 2.076 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000129917100 401811960 /nfs/dbraw/zinc/81/19/60/401811960.db2.gz ZAZVWRUZQGSRGM-OAGGEKHMSA-N 1 0 309.454 2.070 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1coc(Br)c1 ZINC000113226181 401770868 /nfs/dbraw/zinc/77/08/68/401770868.db2.gz MTVMKWNLLXGJLW-GXSJLCMTSA-N 1 0 313.195 2.351 10 0 DEAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCCCCO)C1 ZINC000075862106 401771300 /nfs/dbraw/zinc/77/13/00/401771300.db2.gz UJENWKIMGUCQPR-CYBMUJFWSA-N 1 0 324.387 2.272 10 0 DEAERO CC(C)[N@H+](CC(=O)N1CCc2ccccc21)C1CCOCC1 ZINC000077322879 401810224 /nfs/dbraw/zinc/81/02/24/401810224.db2.gz MPDIOVYMRXGLLO-UHFFFAOYSA-N 1 0 302.418 2.465 10 0 DEAERO C[C@@H]1C[C@@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000075977732 401775178 /nfs/dbraw/zinc/77/51/78/401775178.db2.gz JCZGTTGCONOIKO-PBHICJAKSA-N 1 0 301.434 2.401 10 0 DEAERO CC(C)OC(=O)CC[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000076007441 401777151 /nfs/dbraw/zinc/77/71/51/401777151.db2.gz WPHZOWGXGCWWSE-ZDUSSCGKSA-N 1 0 314.426 2.317 10 0 DEAERO C[C@@H](NS(=O)(=O)c1ccc(CC[NH3+])cc1)c1ccccc1 ZINC000011849319 401777668 /nfs/dbraw/zinc/77/76/68/401777668.db2.gz GMRHRXQMINWEAE-CYBMUJFWSA-N 1 0 304.415 2.227 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](Cc3cn(C)nc3-c3ccncc3)C2)cn1 ZINC000128521897 401780801 /nfs/dbraw/zinc/78/08/01/401780801.db2.gz RREVWFPRSUTWRY-HNNXBMFYSA-N 1 0 322.416 2.205 10 0 DEAERO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000128522199 401780813 /nfs/dbraw/zinc/78/08/13/401780813.db2.gz HIGWOBONMBZPGE-INIZCTEOSA-N 1 0 313.405 2.149 10 0 DEAERO CC1(C)CN(C(=O)CCC(=O)c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000128619989 401785359 /nfs/dbraw/zinc/78/53/59/401785359.db2.gz OJNGFEMCPPYRPV-UHFFFAOYSA-N 1 0 310.344 2.138 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000076492552 401796736 /nfs/dbraw/zinc/79/67/36/401796736.db2.gz AHONXBUTUIYUNX-UKRRQHHQSA-N 1 0 318.417 2.260 10 0 DEAERO CC[C@@H]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000077547727 401820062 /nfs/dbraw/zinc/82/00/62/401820062.db2.gz KVTDYEONCXWTKM-HZPDHXFCSA-N 1 0 311.470 2.367 10 0 DEAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000020425753 401823721 /nfs/dbraw/zinc/82/37/21/401823721.db2.gz SSQVUSIBZNPNFL-CQSZACIVSA-N 1 0 309.841 2.362 10 0 DEAERO Cc1ccc(C[N@H+](C[C@@H](O)CN2CCCC2=O)C2CC2)cc1C ZINC000077657325 401824145 /nfs/dbraw/zinc/82/41/45/401824145.db2.gz ZVCRSOGSMOVENH-SFHVURJKSA-N 1 0 316.445 2.251 10 0 DEAERO Brc1cncnc1N1CCC([NH2+]CC2CC2)CC1 ZINC000130255175 401825155 /nfs/dbraw/zinc/82/51/55/401825155.db2.gz QNEBDJMOIVAOSZ-UHFFFAOYSA-N 1 0 311.227 2.208 10 0 DEAERO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000077839666 401834982 /nfs/dbraw/zinc/83/49/82/401834982.db2.gz MQBKEYKDIBUSNP-BBRMVZONSA-N 1 0 305.422 2.115 10 0 DEAERO COCCCN(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115696081 401835385 /nfs/dbraw/zinc/83/53/85/401835385.db2.gz JZPWVRMPDGGGBL-UHFFFAOYSA-N 1 0 311.401 2.065 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H]2CCCO2)C1 ZINC000130894808 401840543 /nfs/dbraw/zinc/84/05/43/401840543.db2.gz DPYSHQBXOCKXLQ-HOTGVXAUSA-N 1 0 311.470 2.175 10 0 DEAERO COCCC[N@H+](C)CCNc1cc(C)nc(-c2ccncc2)n1 ZINC000078372876 401848656 /nfs/dbraw/zinc/84/86/56/401848656.db2.gz IVMCLUULVZKPJV-UHFFFAOYSA-N 1 0 315.421 2.227 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2OCC(=O)N(C)C)CCS1 ZINC000131380503 401849777 /nfs/dbraw/zinc/84/97/77/401849777.db2.gz MRISLJSDVCDGAC-ZDUSSCGKSA-N 1 0 308.447 2.091 10 0 DEAERO Cc1cc(C)n2c(C[NH2+][C@H](CO)Cc3ccccc3)cnc2n1 ZINC000131496333 401851609 /nfs/dbraw/zinc/85/16/09/401851609.db2.gz QMECRICEFMZXGM-INIZCTEOSA-N 1 0 310.401 2.039 10 0 DEAERO C[C@H](CC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1F ZINC000116787500 401858985 /nfs/dbraw/zinc/85/89/85/401858985.db2.gz FIVDOWPCXMHNQD-ZIAGYGMSSA-N 1 0 308.397 2.108 10 0 DEAERO C[C@@H](SCc1ccccc1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116793518 401859147 /nfs/dbraw/zinc/85/91/47/401859147.db2.gz OCWMVFVJVPQTNG-ZBFHGGJFSA-N 1 0 322.474 2.097 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)CCO1 ZINC000116791670 401859467 /nfs/dbraw/zinc/85/94/67/401859467.db2.gz JTKGZYYYLFOQBH-OAHLLOKOSA-N 1 0 322.836 2.161 10 0 DEAERO C/C(=C/C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cccc(F)c1 ZINC000116797070 401859985 /nfs/dbraw/zinc/85/99/85/401859985.db2.gz CUEYGTAANHYLHC-OVHOFWQVSA-N 1 0 306.381 2.018 10 0 DEAERO Cc1ccc(CC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000132244577 401864514 /nfs/dbraw/zinc/86/45/14/401864514.db2.gz JVODIUNHMJKODF-GOSISDBHSA-N 1 0 311.429 2.222 10 0 DEAERO C[C@H]1CC[C@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)O1 ZINC000129961059 401813110 /nfs/dbraw/zinc/81/31/10/401813110.db2.gz UKAYDBXVLHJPDW-WMLDXEAASA-N 1 0 302.418 2.119 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000114929660 401814981 /nfs/dbraw/zinc/81/49/81/401814981.db2.gz JIHVOHWWZFAFIY-OAHLLOKOSA-N 1 0 319.453 2.175 10 0 DEAERO COC(=O)c1ccc(N2CC[NH2+][C@H](Cc3ccccc3)C2)cc1 ZINC000039952502 401924625 /nfs/dbraw/zinc/92/46/25/401924625.db2.gz JWZSREPHUVKGND-QGZVFWFLSA-N 1 0 310.397 2.494 10 0 DEAERO CC(C)OC(=O)c1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000135041002 401925119 /nfs/dbraw/zinc/92/51/19/401925119.db2.gz QAVLMHYCGDEWTL-CZUORRHYSA-N 1 0 318.417 2.338 10 0 DEAERO Cc1ncc(C[NH2+]CC(=O)N2CCc3sccc3C2)s1 ZINC000040998087 401927125 /nfs/dbraw/zinc/92/71/25/401927125.db2.gz GXQZVTOSDPQAEX-UHFFFAOYSA-N 1 0 307.444 2.188 10 0 DEAERO CC[C@H]1CN(C(=O)CCc2ccsc2)CC[N@@H+]1CCOC ZINC000117307212 401874294 /nfs/dbraw/zinc/87/42/94/401874294.db2.gz JFRIGWXMJRCCES-HNNXBMFYSA-N 1 0 310.463 2.250 10 0 DEAERO CCc1ccc(C[NH2+]C[C@H]2CCCN2c2cc(NC)ncn2)o1 ZINC000133038472 401878301 /nfs/dbraw/zinc/87/83/01/401878301.db2.gz JKQBDXUWSTVBQY-CYBMUJFWSA-N 1 0 315.421 2.432 10 0 DEAERO CC(C)[C@H]1CCCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000117478648 401878482 /nfs/dbraw/zinc/87/84/82/401878482.db2.gz BRTMCSTXCJXXMY-MRXNPFEDSA-N 1 0 311.470 2.319 10 0 DEAERO C[C@H]1CCC[C@H](C[NH+]2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000133384199 401884513 /nfs/dbraw/zinc/88/45/13/401884513.db2.gz FKCYVEBJYXLNHB-GJZGRUSLSA-N 1 0 314.437 2.073 10 0 DEAERO C[NH+]1CCC(CNC(=O)C[C@H]2CCOc3ccccc32)CC1 ZINC000117778687 401884583 /nfs/dbraw/zinc/88/45/83/401884583.db2.gz BRVHAQURCVZGCT-OAHLLOKOSA-N 1 0 302.418 2.401 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC000117805342 401884814 /nfs/dbraw/zinc/88/48/14/401884814.db2.gz ZDNNCABRSLKPEG-LSDHHAIUSA-N 1 0 302.418 2.353 10 0 DEAERO Cc1cnn(CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000117808666 401885524 /nfs/dbraw/zinc/88/55/24/401885524.db2.gz TXIXVCAYBYQZET-UHFFFAOYSA-N 1 0 312.417 2.217 10 0 DEAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000133515434 401889225 /nfs/dbraw/zinc/88/92/25/401889225.db2.gz GQTWBJABSRGULB-LXTVHRRPSA-N 1 0 318.465 2.312 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)c2ccncc2F)ccc1F ZINC000133704404 401893527 /nfs/dbraw/zinc/89/35/27/401893527.db2.gz JPTASACPWSIJAS-UHFFFAOYSA-N 1 0 305.328 2.351 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000089107821 401936175 /nfs/dbraw/zinc/93/61/75/401936175.db2.gz VEJTUYIAYAHSDL-CMPLNLGQSA-N 1 0 302.465 2.106 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000084729009 401909206 /nfs/dbraw/zinc/90/92/06/401909206.db2.gz NGIUYYSCYNDSNX-UHFFFAOYSA-N 1 0 303.225 2.335 10 0 DEAERO C[NH2+]CC(=O)Nc1cc(Br)ccc1Br ZINC000037047074 401910150 /nfs/dbraw/zinc/91/01/50/401910150.db2.gz VRJSBZYRTGSMBR-UHFFFAOYSA-N 1 0 322.000 2.370 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccn1 ZINC000037413423 401913443 /nfs/dbraw/zinc/91/34/43/401913443.db2.gz DKTOKVWOFZTCHM-NWDGAFQWSA-N 1 0 305.403 2.141 10 0 DEAERO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@H](O)CN2CCOCC2)c1 ZINC000134872313 401917364 /nfs/dbraw/zinc/91/73/64/401917364.db2.gz WDNSTJQOTHYMDQ-MJGOQNOKSA-N 1 0 318.461 2.133 10 0 DEAERO CN(C)c1nc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ns1 ZINC000134895573 401918703 /nfs/dbraw/zinc/91/87/03/401918703.db2.gz MJZPZFFDZCIDJJ-OCCSQVGLSA-N 1 0 321.494 2.053 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000085902938 401919881 /nfs/dbraw/zinc/91/98/81/401919881.db2.gz PZIDMAFZHGCQHM-KRWDZBQOSA-N 1 0 321.373 2.097 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(F)nc1 ZINC000135020676 401924295 /nfs/dbraw/zinc/92/42/95/401924295.db2.gz MWBQCVORKRRPEP-UHFFFAOYSA-N 1 0 303.337 2.413 10 0 DEAERO CC1CCC(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000089576984 401952626 /nfs/dbraw/zinc/95/26/26/401952626.db2.gz DWJQQSRJDYXMNB-UHFFFAOYSA-N 1 0 310.463 2.292 10 0 DEAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091630916 401997408 /nfs/dbraw/zinc/99/74/08/401997408.db2.gz OIEOCVWKBASTAT-KBPBESRZSA-N 1 0 319.453 2.049 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](OC)c1ccccc1 ZINC000045578018 401959094 /nfs/dbraw/zinc/95/90/94/401959094.db2.gz GFQJHRKLNGSHME-HOCLYGCPSA-N 1 0 307.438 2.404 10 0 DEAERO CCC[C@@H](C(=O)NCc1c(OC)cc(OC)cc1OC)[NH+](C)C ZINC000136686671 401971882 /nfs/dbraw/zinc/97/18/82/401971882.db2.gz AMYVTIXXZGURTC-AWEZNQCLSA-N 1 0 324.421 2.059 10 0 DEAERO Cc1c(C(=O)NC[C@@H]([NH3+])C2CC2)cnn1-c1ccccc1Cl ZINC000137325665 401982431 /nfs/dbraw/zinc/98/24/31/401982431.db2.gz ULENKCJPJIIBRX-CQSZACIVSA-N 1 0 318.808 2.301 10 0 DEAERO COc1ccc([C@H](C)NC(=O)NC2CC[NH+](C)CC2)cc1F ZINC000047885612 401990425 /nfs/dbraw/zinc/99/04/25/401990425.db2.gz CHHCIYLANZKZKK-NSHDSACASA-N 1 0 309.385 2.289 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000048060726 401993111 /nfs/dbraw/zinc/99/31/11/401993111.db2.gz RVYBWFIBKXKLLQ-ZNMIVQPWSA-N 1 0 323.437 2.448 10 0 DEAERO Cc1cccc(C)c1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150776099 401995155 /nfs/dbraw/zinc/99/51/55/401995155.db2.gz ZJZSSEQDAHHQPL-GJZGRUSLSA-N 1 0 317.433 2.087 10 0 DEAERO CCC[C@@H](C(=O)NC[C@@H](C)N1CCc2sccc2C1)[NH+](C)C ZINC000135635585 401949041 /nfs/dbraw/zinc/94/90/41/401949041.db2.gz RQFIIIDGELAAAR-HIFRSBDPSA-N 1 0 323.506 2.341 10 0 DEAERO O=C(c1ccc2c(c1)OCO2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073393 402011894 /nfs/dbraw/zinc/01/18/94/402011894.db2.gz WMSGYALRUXBSSS-UHFFFAOYSA-N 1 0 316.401 2.363 10 0 DEAERO O=C(Cc1ccc2c(c1)OCO2)N1CCC([NH+]2CCCC2)CC1 ZINC000121076540 402013698 /nfs/dbraw/zinc/01/36/98/402013698.db2.gz NUAWHFFFAQUXFU-UHFFFAOYSA-N 1 0 316.401 2.045 10 0 DEAERO COCCN1CCN(CCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000122007332 402059155 /nfs/dbraw/zinc/05/91/55/402059155.db2.gz LWSMBKYUTFNVSH-CQSZACIVSA-N 1 0 308.397 2.051 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(Cc2cccn2CCC(C)C)CC1 ZINC000093740492 402019091 /nfs/dbraw/zinc/01/90/91/402019091.db2.gz JJDGLERURPWGEK-QGZVFWFLSA-N 1 0 307.482 2.423 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)N(C)CCc1ncc(C)s1 ZINC000121343102 402029414 /nfs/dbraw/zinc/02/94/14/402029414.db2.gz AGHPSXXGTOMQCT-UHFFFAOYSA-N 1 0 312.483 2.367 10 0 DEAERO Cc1ccn(-c2ccccc2CNC(=O)C2CC[NH+](C)CC2)n1 ZINC000121374989 402032343 /nfs/dbraw/zinc/03/23/43/402032343.db2.gz OZOQWXGNBZOKIQ-UHFFFAOYSA-N 1 0 312.417 2.139 10 0 DEAERO C[N@H+](CCCO)C1CCN(Cc2nc3cc(F)ccc3o2)CC1 ZINC000151512489 402041161 /nfs/dbraw/zinc/04/11/61/402041161.db2.gz PCRNEVKPFQQSFC-UHFFFAOYSA-N 1 0 321.396 2.246 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2ccccc2OC)C1 ZINC000052500235 402043048 /nfs/dbraw/zinc/04/30/48/402043048.db2.gz DJPIXLSDNGNJHR-HNNXBMFYSA-N 1 0 305.422 2.021 10 0 DEAERO CCCCNC(=O)C1([NH2+]C[C@@H](O)C(F)(F)F)CCCCC1 ZINC000121653264 402047833 /nfs/dbraw/zinc/04/78/33/402047833.db2.gz YNSXOOAPRUJTCA-LLVKDONJSA-N 1 0 310.360 2.118 10 0 DEAERO CCC[C@H](C(=O)NC[C@H](C)Oc1ccc(OC)cc1)[NH+](C)C ZINC000121667154 402048449 /nfs/dbraw/zinc/04/84/49/402048449.db2.gz KYRYSWCOWFSUGR-XJKSGUPXSA-N 1 0 308.422 2.309 10 0 DEAERO CCCn1cc(CN2CCC[N@H+](Cc3cccn3C)CC2)cn1 ZINC000121685338 402048950 /nfs/dbraw/zinc/04/89/50/402048950.db2.gz VWRNIICYEIUSEC-UHFFFAOYSA-N 1 0 315.465 2.340 10 0 DEAERO COC(=O)[C@H](C)C[N@H+](C)C[C@H](O)COc1ccccc1C(C)C ZINC000120749863 402000901 /nfs/dbraw/zinc/00/09/01/402000901.db2.gz DWKFBRUARHGLHU-CABCVRRESA-N 1 0 323.433 2.291 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000120760146 402001224 /nfs/dbraw/zinc/00/12/24/402001224.db2.gz SZWSORNMUHBDIB-LSDHHAIUSA-N 1 0 311.470 2.364 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c(C)s1 ZINC000048666232 402005491 /nfs/dbraw/zinc/00/54/91/402005491.db2.gz HIZKGDPJSMTEBG-UHFFFAOYSA-N 1 0 302.465 2.080 10 0 DEAERO CC[C@@H]1CN(Cc2ccc(OC)cc2OC)CC[N@@H+]1CCOC ZINC000120908194 402006443 /nfs/dbraw/zinc/00/64/43/402006443.db2.gz DDXGMWGFBNCNLR-MRXNPFEDSA-N 1 0 322.449 2.246 10 0 DEAERO Cc1nc(CCNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)sc1C ZINC000150946829 402006658 /nfs/dbraw/zinc/00/66/58/402006658.db2.gz DJOPRIKMDHMFME-SMDDNHRTSA-N 1 0 324.494 2.330 10 0 DEAERO C[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000122267439 402069535 /nfs/dbraw/zinc/06/95/35/402069535.db2.gz HGPPKOCCYZJLSG-HNNXBMFYSA-N 1 0 304.434 2.297 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000122463142 402079718 /nfs/dbraw/zinc/07/97/18/402079718.db2.gz IKTFDLXGNGJRNJ-CJNGLKHVSA-N 1 0 318.417 2.276 10 0 DEAERO CN(CC[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000122577096 402084939 /nfs/dbraw/zinc/08/49/39/402084939.db2.gz YBCLEXQQEQUFME-CYBMUJFWSA-N 1 0 317.355 2.363 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2cccc3c2OCCO3)CC[N@@H+]1C ZINC000122732228 402091957 /nfs/dbraw/zinc/09/19/57/402091957.db2.gz YPQWGYQVBPWVND-QWHCGFSZSA-N 1 0 304.390 2.013 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)N(C)c2ccccc2)C1 ZINC000057821716 402096854 /nfs/dbraw/zinc/09/68/54/402096854.db2.gz IDERMVVXMQGHCL-CVEARBPZSA-N 1 0 318.465 2.295 10 0 DEAERO O[C@H](COCc1ccccc1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058246126 402099335 /nfs/dbraw/zinc/09/93/35/402099335.db2.gz ALUXVTALQABCFR-KRWDZBQOSA-N 1 0 315.417 2.167 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCc2cc(OC)ccc21 ZINC000060545784 402105842 /nfs/dbraw/zinc/10/58/42/402105842.db2.gz HSHPZWKTBZNOFK-CYBMUJFWSA-N 1 0 305.422 2.498 10 0 DEAERO CC(C)CC[C@](C)(O)CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000152892058 402115050 /nfs/dbraw/zinc/11/50/50/402115050.db2.gz RYXXUWKBQYAWGS-KRWDZBQOSA-N 1 0 313.486 2.346 10 0 DEAERO C[C@@H](C[NH2+][C@@H]1CCCOc2ccc(F)cc21)N1CCOCC1 ZINC000123286110 402119508 /nfs/dbraw/zinc/11/95/08/402119508.db2.gz AGQHKVOQGLPAHM-XJKSGUPXSA-N 1 0 308.397 2.350 10 0 DEAERO CCC[C@H](C(=O)N1CCN(c2nc(C)c(C)s2)CC1)[NH+](C)C ZINC000122122666 402062338 /nfs/dbraw/zinc/06/23/38/402062338.db2.gz WDLYGLGFENSCCE-CQSZACIVSA-N 1 0 324.494 2.139 10 0 DEAERO CC(=O)c1cc(C(=O)NCC[N@H+](C)C2CCCCC2)n(C)c1 ZINC000122136105 402063085 /nfs/dbraw/zinc/06/30/85/402063085.db2.gz UGNICCDSVHASNW-UHFFFAOYSA-N 1 0 305.422 2.222 10 0 DEAERO COC(=O)C[C@H]1CSCCN1Cc1nc2cc(F)ccc2o1 ZINC000123449477 402128652 /nfs/dbraw/zinc/12/86/52/402128652.db2.gz WOPVDRQJEVDEON-NSHDSACASA-N 1 0 324.377 2.447 10 0 DEAERO CC(=O)CC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000098136361 402138769 /nfs/dbraw/zinc/13/87/69/402138769.db2.gz ZLIJIXUJUMOXAG-UHFFFAOYSA-N 1 0 308.809 2.467 10 0 DEAERO COC(=O)c1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000153406051 402143483 /nfs/dbraw/zinc/14/34/83/402143483.db2.gz XFAWPCIPQBIJHW-OLZOCXBDSA-N 1 0 319.405 2.420 10 0 DEAERO Cc1cncc(CNC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000123784657 402145410 /nfs/dbraw/zinc/14/54/10/402145410.db2.gz UKOYTBMJXROWEL-UHFFFAOYSA-N 1 0 313.401 2.260 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cccc2ccccc21 ZINC000123961873 402156601 /nfs/dbraw/zinc/15/66/01/402156601.db2.gz QTGDLDBRTBPBIG-OCCSQVGLSA-N 1 0 304.415 2.340 10 0 DEAERO C[C@H]1C[C@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000103182591 402180855 /nfs/dbraw/zinc/18/08/55/402180855.db2.gz DCDBCWBFVUFGBF-XJKSGUPXSA-N 1 0 305.422 2.225 10 0 DEAERO CC[N@H+](C)[C@@H](C(=O)NCc1cccc(OC)n1)c1ccccc1 ZINC000103193013 402181482 /nfs/dbraw/zinc/18/14/82/402181482.db2.gz MUIQMYATKVHNHQ-QGZVFWFLSA-N 1 0 313.401 2.399 10 0 DEAERO CC(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000103467096 402189973 /nfs/dbraw/zinc/18/99/73/402189973.db2.gz PIUWYOMWCLMZSW-UHFFFAOYSA-N 1 0 307.369 2.391 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2noc(C3CCCCC3)n2)CC1 ZINC000154058841 402190053 /nfs/dbraw/zinc/19/00/53/402190053.db2.gz MCCBZOURNDJRHO-HNNXBMFYSA-N 1 0 322.453 2.006 10 0 DEAERO CCn1cc(C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)cn1 ZINC000124044942 402161075 /nfs/dbraw/zinc/16/10/75/402161075.db2.gz BCMYZXOAFJUKDJ-KRWDZBQOSA-N 1 0 318.465 2.483 10 0 DEAERO C[N@H+](CCCO)C1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000153781909 402170484 /nfs/dbraw/zinc/17/04/84/402170484.db2.gz FSZWPPOTRMXTQH-UHFFFAOYSA-N 1 0 322.453 2.006 10 0 DEAERO C[C@@H](c1ccco1)N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000069103764 402213509 /nfs/dbraw/zinc/21/35/09/402213509.db2.gz VMIAJWMVSOXPQW-AWEZNQCLSA-N 1 0 309.410 2.094 10 0 DEAERO CCOC(C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1)OCC ZINC000125118338 402213736 /nfs/dbraw/zinc/21/37/36/402213736.db2.gz AVVNBANIQTZOGE-ZDUSSCGKSA-N 1 0 308.426 2.192 10 0 DEAERO COc1cccc([C@H]2C[C@H]2C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000106763983 402215700 /nfs/dbraw/zinc/21/57/00/402215700.db2.gz WPCNVWQBRMYNQU-IAGOWNOFSA-N 1 0 302.418 2.257 10 0 DEAERO CC1CC[NH+](CCN2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000154725787 402227854 /nfs/dbraw/zinc/22/78/54/402227854.db2.gz GNVZREURBCIIAG-GOSISDBHSA-N 1 0 304.434 2.497 10 0 DEAERO COC[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccco1 ZINC000125360954 402228338 /nfs/dbraw/zinc/22/83/38/402228338.db2.gz RHOVRIGBYVKUDH-NRXISQOPSA-N 1 0 323.437 2.387 10 0 DEAERO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c1 ZINC000125436319 402232447 /nfs/dbraw/zinc/23/24/47/402232447.db2.gz NIBLYOZBSHBBOK-SUMWQHHRSA-N 1 0 306.406 2.085 10 0 DEAERO COC(=O)[C@@H](C)C[N@H+](Cc1ccnn1C)Cc1ccccc1 ZINC000154954611 402239489 /nfs/dbraw/zinc/23/94/89/402239489.db2.gz FJXAOFAFLQJTDI-AWEZNQCLSA-N 1 0 301.390 2.231 10 0 DEAERO CN(C[C@@H]1CCCOC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000107778356 402240818 /nfs/dbraw/zinc/24/08/18/402240818.db2.gz ITXLYXYSKNKWOA-DLBZAZTESA-N 1 0 304.434 2.044 10 0 DEAERO COc1ccccc1OCCC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000155022010 402242076 /nfs/dbraw/zinc/24/20/76/402242076.db2.gz BNJZFTIOCXQRCN-ZIAGYGMSSA-N 1 0 306.406 2.015 10 0 DEAERO CCc1nc2c(s1)[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)CCC2 ZINC000125631293 402242773 /nfs/dbraw/zinc/24/27/73/402242773.db2.gz ALHAAQNSFKTXTK-BLLLJJGKSA-N 1 0 310.463 2.462 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)C[C@H]2CCCCO2)ccc1F ZINC000155058162 402243553 /nfs/dbraw/zinc/24/35/53/402243553.db2.gz GGDPGSVVDYSOET-OAHLLOKOSA-N 1 0 308.397 2.463 10 0 DEAERO C[NH+](C)C[C@@H]1CN(CCOc2cccc3ccccc32)CCO1 ZINC000155268848 402250835 /nfs/dbraw/zinc/25/08/35/402250835.db2.gz CVICZFBGBDLKIY-QGZVFWFLSA-N 1 0 314.429 2.481 10 0 DEAERO CCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000108575835 402257984 /nfs/dbraw/zinc/25/79/84/402257984.db2.gz YVPWKACQVPRWCJ-AWEZNQCLSA-N 1 0 323.412 2.365 10 0 DEAERO Cc1ccc(OCCN(C)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000108588198 402258154 /nfs/dbraw/zinc/25/81/54/402258154.db2.gz MQWJWXCFDVUPJR-MRXNPFEDSA-N 1 0 319.449 2.357 10 0 DEAERO CC(C)(C)c1noc(-c2cccnc2N2CCC[NH2+]CC2)n1 ZINC000070457992 402260886 /nfs/dbraw/zinc/26/08/86/402260886.db2.gz OXZUNQSCLMAUNC-UHFFFAOYSA-N 1 0 301.394 2.229 10 0 DEAERO [NH3+][C@H]1CCCN(c2cc(-c3nc(-c4ccccn4)no3)ccn2)C1 ZINC000070458212 402260909 /nfs/dbraw/zinc/26/09/09/402260909.db2.gz NKBZCIVVGLHMNC-ZDUSSCGKSA-N 1 0 322.372 2.121 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000126061966 402262484 /nfs/dbraw/zinc/26/24/84/402262484.db2.gz NISWORYKHHGMLB-UHFFFAOYSA-N 1 0 305.422 2.020 10 0 DEAERO COCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862859 402209456 /nfs/dbraw/zinc/20/94/56/402209456.db2.gz BLAYBIRTSFWKRN-SFHVURJKSA-N 1 0 306.450 2.010 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000105896561 402210646 /nfs/dbraw/zinc/21/06/46/402210646.db2.gz QYZSLRVMLKBOHN-OAHLLOKOSA-N 1 0 304.438 2.141 10 0 DEAERO O=C(NCCC1=CCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000126207617 402269525 /nfs/dbraw/zinc/26/95/25/402269525.db2.gz OGOMXIIAMCJRAV-UHFFFAOYSA-N 1 0 321.465 2.241 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Br)cc2F)C1 ZINC000071139973 402270394 /nfs/dbraw/zinc/27/03/94/402270394.db2.gz ANOKMQKHGSDIFL-SNVBAGLBSA-N 1 0 315.186 2.364 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@](CO)(C[NH2+]Cc2ccccc2)C1 ZINC000071250894 402271509 /nfs/dbraw/zinc/27/15/09/402271509.db2.gz XGYKJCHMRYOLCV-SFHVURJKSA-N 1 0 320.433 2.396 10 0 DEAERO Fc1cccc(OCC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000109821745 402276691 /nfs/dbraw/zinc/27/66/91/402276691.db2.gz AUIGVGXZGBPZDM-QGZVFWFLSA-N 1 0 322.424 2.391 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000184614919 402284700 /nfs/dbraw/zinc/28/47/00/402284700.db2.gz PUKULGWLRBRLQA-AWEZNQCLSA-N 1 0 321.465 2.444 10 0 DEAERO O=C(C[N@H+]1CCC[C@@H](CO)C1)N1CCC[C@@H]1c1cccs1 ZINC000216257380 402287962 /nfs/dbraw/zinc/28/79/62/402287962.db2.gz RHVWJXPWCGUBDO-ZIAGYGMSSA-N 1 0 308.447 2.116 10 0 DEAERO CC(C)C[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000184696103 402292458 /nfs/dbraw/zinc/29/24/58/402292458.db2.gz BSXOZGPDENKWIT-AWEZNQCLSA-N 1 0 304.438 2.454 10 0 DEAERO Cc1nc(C)c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)nc1C ZINC000184785609 402299752 /nfs/dbraw/zinc/29/97/52/402299752.db2.gz NNMQKJQTEVNTPR-UHFFFAOYSA-N 1 0 304.438 2.395 10 0 DEAERO CCc1cc(C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)oc1CC ZINC000158118186 402301942 /nfs/dbraw/zinc/30/19/42/402301942.db2.gz DJEBMNPSNYVRTN-AWEZNQCLSA-N 1 0 321.465 2.160 10 0 DEAERO CC(C)C1(CNC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000176355229 402302574 /nfs/dbraw/zinc/30/25/74/402302574.db2.gz LBTABRLAJFMFLI-OAHLLOKOSA-N 1 0 323.481 2.317 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCc2ccc(O)c(F)c2)CC1 ZINC000158295310 402303705 /nfs/dbraw/zinc/30/37/05/402303705.db2.gz YCTIGZVKFWQPJA-UHFFFAOYSA-N 1 0 323.412 2.453 10 0 DEAERO COc1ccc(C[C@@H](C)C[NH2+]C[C@H](C)N2CCOCC2)cc1F ZINC000185270378 402340012 /nfs/dbraw/zinc/34/00/12/402340012.db2.gz HVTSOLWMZHXIBK-CABCVRRESA-N 1 0 324.440 2.323 10 0 DEAERO CN(C)c1noc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000185278112 402340184 /nfs/dbraw/zinc/34/01/84/402340184.db2.gz JYUBYPHQDXMQOL-UHFFFAOYSA-N 1 0 317.437 2.136 10 0 DEAERO Cc1ccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1F ZINC000176859008 402343651 /nfs/dbraw/zinc/34/36/51/402343651.db2.gz LTZWICXKQHPPIQ-AWEZNQCLSA-N 1 0 322.424 2.299 10 0 DEAERO CCc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000176898174 402347475 /nfs/dbraw/zinc/34/74/75/402347475.db2.gz WTKCWGACFKJGKN-INIZCTEOSA-N 1 0 317.433 2.130 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)cc(C)c1 ZINC000176900676 402348283 /nfs/dbraw/zinc/34/82/83/402348283.db2.gz ILPHAHKBIYNNPK-MRXNPFEDSA-N 1 0 317.433 2.185 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C)cc1F ZINC000176903396 402348783 /nfs/dbraw/zinc/34/87/83/402348783.db2.gz DQCBXQOAMAXEHR-ZDUSSCGKSA-N 1 0 321.396 2.015 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)c1ccc(Cl)cc1 ZINC000176992524 402357719 /nfs/dbraw/zinc/35/77/19/402357719.db2.gz CVEMSSSLQCJHLS-AWEZNQCLSA-N 1 0 308.809 2.465 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(OC)c(OC)c1 ZINC000177005323 402358816 /nfs/dbraw/zinc/35/88/16/402358816.db2.gz RPJFNNJFYGICAJ-AWEZNQCLSA-N 1 0 306.406 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnc(C)nc1C(C)C ZINC000177014773 402359414 /nfs/dbraw/zinc/35/94/14/402359414.db2.gz LBILGXSXYDXUEI-AWEZNQCLSA-N 1 0 304.438 2.465 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N(C)[C@@H](CO)CC(C)C)CC1 ZINC000185535045 402359636 /nfs/dbraw/zinc/35/96/36/402359636.db2.gz OOJACYAUKPEGHQ-MRXNPFEDSA-N 1 0 313.486 2.157 10 0 DEAERO CC[NH+](CC)CCN(Cc1nnc(C2CC2)n1C)CC(C)C ZINC000177096891 402369049 /nfs/dbraw/zinc/36/90/49/402369049.db2.gz QVILPWOWXQGWAC-UHFFFAOYSA-N 1 0 307.486 2.492 10 0 DEAERO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000185912296 402388607 /nfs/dbraw/zinc/38/86/07/402388607.db2.gz HJBNUOGEAAKBHR-KRWDZBQOSA-N 1 0 314.389 2.009 10 0 DEAERO C[C@@H](O)C(C)(C)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000161144838 402375212 /nfs/dbraw/zinc/37/52/12/402375212.db2.gz RSODAOVALNEOSO-MRVPVSSYSA-N 1 0 316.195 2.427 10 0 DEAERO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000177219108 402382701 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CCC[C@@H](C(=O)Nc1ccc(N2CCOC2=O)cc1)[NH+](C)C ZINC000161710753 402396593 /nfs/dbraw/zinc/39/65/93/402396593.db2.gz OYGLDOMPIRFHSR-AWEZNQCLSA-N 1 0 305.378 2.312 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)c1 ZINC000237348899 402405132 /nfs/dbraw/zinc/40/51/32/402405132.db2.gz SDMHDCCIOIJFRH-PSZVPEGOSA-N 1 0 315.417 2.138 10 0 DEAERO CC(=O)N[C@H](CC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000161991081 402406176 /nfs/dbraw/zinc/40/61/76/402406176.db2.gz DWYODJBIKSFIOK-DLBZAZTESA-N 1 0 319.449 2.086 10 0 DEAERO CCC[C@H](C(=O)NCc1nc2cc(C)ccc2n1C)[NH+](C)C ZINC000186159685 402406427 /nfs/dbraw/zinc/40/64/27/402406427.db2.gz WPVVULWNLJNVNC-OAHLLOKOSA-N 1 0 302.422 2.228 10 0 DEAERO C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)COCc1ccccc1 ZINC000237464894 402408912 /nfs/dbraw/zinc/40/89/12/402408912.db2.gz XMHAZUSLNSTXQJ-HYVNUMGLSA-N 1 0 304.434 2.473 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(Cc3cc(O)cc(F)c3)CC2)CCO1 ZINC000186191948 402409102 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402637561 /nfs/dbraw/zinc/63/75/61/402637561.db2.gz RXKPUXGJDSXTSA-HJWJTTGWSA-N 1 0 302.418 2.363 10 0 DEAERO COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC000190962506 402633442 /nfs/dbraw/zinc/63/34/42/402633442.db2.gz WQKWZVOVKKIGNB-GFCCVEGCSA-N 1 0 309.410 2.483 10 0 DEAERO CCC(=O)OC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OC(=O)CC ZINC000249688193 402638377 /nfs/dbraw/zinc/63/83/77/402638377.db2.gz IAILZLXBCDRKGE-JKSUJKDBSA-N 1 0 319.401 2.393 10 0 DEAERO CCc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1F ZINC000181281732 402639792 /nfs/dbraw/zinc/63/97/92/402639792.db2.gz HLSSERUMLWSKGT-AWEZNQCLSA-N 1 0 309.385 2.182 10 0 DEAERO CC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181294327 402640346 /nfs/dbraw/zinc/64/03/46/402640346.db2.gz NEHUYKWITDARNZ-LSDHHAIUSA-N 1 0 300.406 2.422 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Oc2cccc(C(C)=O)c2)C1 ZINC000249843803 402642386 /nfs/dbraw/zinc/64/23/86/402642386.db2.gz ZJLVVOPPFXCEHV-HOCLYGCPSA-N 1 0 318.417 2.257 10 0 DEAERO CC[NH+](CC)CCN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000181338697 402642459 /nfs/dbraw/zinc/64/24/59/402642459.db2.gz DIWRECYLKAKLPL-MRXNPFEDSA-N 1 0 309.498 2.299 10 0 DEAERO CCc1nnc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C ZINC000172152154 402642719 /nfs/dbraw/zinc/64/27/19/402642719.db2.gz ZKMZAUWOIQTCIH-JKSUJKDBSA-N 1 0 319.497 2.464 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000191139601 402644765 /nfs/dbraw/zinc/64/47/65/402644765.db2.gz CPUVRFPMZRENCQ-WMLDXEAASA-N 1 0 320.433 2.058 10 0 DEAERO Cc1ccc(OC2CC[NH+](CC[C@@H]3CCOC3=O)CC2)nc1 ZINC000181553445 402649903 /nfs/dbraw/zinc/64/99/03/402649903.db2.gz UHUSWAXTFUVRCC-CQSZACIVSA-N 1 0 304.390 2.186 10 0 DEAERO C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347236 402651369 /nfs/dbraw/zinc/65/13/69/402651369.db2.gz BQGMRIRICQTZGQ-LBPRGKRZSA-N 1 0 322.840 2.232 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347888 402651663 /nfs/dbraw/zinc/65/16/63/402651663.db2.gz ZBQDDMMCSBMMRK-HZPDHXFCSA-N 1 0 307.482 2.336 10 0 DEAERO O=C1[C@H](N2CCC[N@@H+](C3CC3)CC2)CCN1c1ccccc1F ZINC000172347593 402651793 /nfs/dbraw/zinc/65/17/93/402651793.db2.gz UEAZFCNQOKAGMZ-QGZVFWFLSA-N 1 0 317.408 2.101 10 0 DEAERO [NH3+]CCc1nc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cs1 ZINC000173662776 402707437 /nfs/dbraw/zinc/70/74/37/402707437.db2.gz QHMCTICDKZQSJA-UHFFFAOYSA-N 1 0 313.386 2.287 10 0 DEAERO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc3ccccc32)CC[NH2+]1 ZINC000261594700 402713836 /nfs/dbraw/zinc/71/38/36/402713836.db2.gz BILJCFFKDAHBHH-TZMCWYRMSA-N 1 0 304.415 2.259 10 0 DEAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CSCCS1 ZINC000261707512 402716059 /nfs/dbraw/zinc/71/60/59/402716059.db2.gz KELNLVGCTYFQBI-GFCCVEGCSA-N 1 0 312.435 2.259 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC000173885538 402717142 /nfs/dbraw/zinc/71/71/42/402717142.db2.gz USOJKSONJWFZFQ-LSDHHAIUSA-N 1 0 310.463 2.310 10 0 DEAERO Cc1ccsc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000253226886 402661957 /nfs/dbraw/zinc/66/19/57/402661957.db2.gz JOFYEUQCIAGWQD-AXAPSJFSSA-N 1 0 308.447 2.205 10 0 DEAERO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261868180 402718914 /nfs/dbraw/zinc/71/89/14/402718914.db2.gz NWWKGXSABSCRSC-CABCVRRESA-N 1 0 302.418 2.207 10 0 DEAERO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000182090865 402666941 /nfs/dbraw/zinc/66/69/41/402666941.db2.gz QIGLGKBVLAYLKJ-GFCCVEGCSA-N 1 0 318.446 2.035 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccccc2[nH]c1=O ZINC000253542895 402668319 /nfs/dbraw/zinc/66/83/19/402668319.db2.gz ALXXAIGQRFECLC-OCCSQVGLSA-N 1 0 311.385 2.249 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)OC[C@H]1CCCCO1 ZINC000253549313 402668557 /nfs/dbraw/zinc/66/85/57/402668557.db2.gz QGWNSMHYSAAVFB-QBPKDAKJSA-N 1 0 324.465 2.046 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccncc1 ZINC000182206850 402672058 /nfs/dbraw/zinc/67/20/58/402672058.db2.gz OSAIGCCNNHFGTQ-BPUTZDHNSA-N 1 0 302.422 2.268 10 0 DEAERO C/C(=C\C(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccc(F)cc1 ZINC000172743557 402673075 /nfs/dbraw/zinc/67/30/75/402673075.db2.gz PERZCMYMASELSE-ABDJAZHISA-N 1 0 318.392 2.162 10 0 DEAERO CCc1sc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc1C ZINC000172748345 402673129 /nfs/dbraw/zinc/67/31/29/402673129.db2.gz XHBZNBLRHWEZOI-ZDUSSCGKSA-N 1 0 308.447 2.166 10 0 DEAERO CC1(C)CN(CCNC(=O)[C@H]2C[C@@H]2C2CCCCC2)CCO1 ZINC000172889212 402679371 /nfs/dbraw/zinc/67/93/71/402679371.db2.gz BSCCFGATWQXTFM-CVEARBPZSA-N 1 0 308.466 2.430 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000172926878 402680411 /nfs/dbraw/zinc/68/04/11/402680411.db2.gz MUGZFIYAKYGRFQ-LBPRGKRZSA-N 1 0 316.430 2.229 10 0 DEAERO C[C@@H]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@H]1C ZINC000172998610 402682380 /nfs/dbraw/zinc/68/23/80/402682380.db2.gz PDRJAKQIZJALTB-CABCVRRESA-N 1 0 316.449 2.094 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC000182393887 402686187 /nfs/dbraw/zinc/68/61/87/402686187.db2.gz BUZRJTKMOONMSH-ZDUSSCGKSA-N 1 0 323.824 2.348 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000173268113 402690016 /nfs/dbraw/zinc/69/00/16/402690016.db2.gz MPYVYUDEBYZEBN-WFASDCNBSA-N 1 0 314.426 2.070 10 0 DEAERO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000191828691 402695332 /nfs/dbraw/zinc/69/53/32/402695332.db2.gz WZRYTEQEBGFYPJ-SQWLQELKSA-N 1 0 323.481 2.060 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC000173472327 402699096 /nfs/dbraw/zinc/69/90/96/402699096.db2.gz TVDGRXKSYABCHY-QKPAOTATSA-N 1 0 322.449 2.051 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(OCCCOC)c2)C1 ZINC000173562464 402703021 /nfs/dbraw/zinc/70/30/21/402703021.db2.gz GGOFFYUWCMRKCD-MRXNPFEDSA-N 1 0 320.433 2.316 10 0 DEAERO O=C1[C@@H]([NH2+][C@@H](CO)c2ccccc2)CCN1c1ccccc1F ZINC000182904735 402725543 /nfs/dbraw/zinc/72/55/43/402725543.db2.gz PRQAIFCFHKLDGH-HOTGVXAUSA-N 1 0 314.360 2.254 10 0 DEAERO CN(CC(C)(C)C[NH3+])C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000262582110 402727780 /nfs/dbraw/zinc/72/77/80/402727780.db2.gz KPUCWQQNSGELRQ-KGLIPLIRSA-N 1 0 318.417 2.005 10 0 DEAERO C[C@@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[C@@H](C)CO1 ZINC000182935332 402728201 /nfs/dbraw/zinc/72/82/01/402728201.db2.gz DJZRINGNGLTRAV-QWHCGFSZSA-N 1 0 323.412 2.206 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H](O)c2cc3ccccc3s2)C1 ZINC000262647499 402728986 /nfs/dbraw/zinc/72/89/86/402728986.db2.gz SRYISHFZKZSXAH-XQQFMLRXSA-N 1 0 304.415 2.178 10 0 DEAERO CCOc1ncccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174176261 402730457 /nfs/dbraw/zinc/73/04/57/402730457.db2.gz ILPPFEGVSPUOCV-AGUYFDCRSA-N 1 0 303.406 2.225 10 0 DEAERO CCCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000183008143 402732179 /nfs/dbraw/zinc/73/21/79/402732179.db2.gz BVIFUUSOIPQPHX-MRVPVSSYSA-N 1 0 303.815 2.288 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)Oc2ccc(F)cc2)C1 ZINC000174233905 402732931 /nfs/dbraw/zinc/73/29/31/402732931.db2.gz NMXBPVRJAKDTCG-UKRRQHHQSA-N 1 0 323.412 2.377 10 0 DEAERO CC(C)NC(=O)CC[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183599834 402780541 /nfs/dbraw/zinc/78/05/41/402780541.db2.gz ZHSQSURQUPKSKH-AWEZNQCLSA-N 1 0 300.406 2.438 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000262865048 402735602 /nfs/dbraw/zinc/73/56/02/402735602.db2.gz UMHALQADVGKZFG-IINYFYTJSA-N 1 0 306.793 2.230 10 0 DEAERO Cn1c2ccc(C[NH2+]C[C@H](O)CC(C)(C)C)cc2sc1=O ZINC000192578284 402738162 /nfs/dbraw/zinc/73/81/62/402738162.db2.gz LJCPEKNOJQBLHQ-GFCCVEGCSA-N 1 0 308.447 2.487 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000192749370 402748105 /nfs/dbraw/zinc/74/81/05/402748105.db2.gz BROWFEQKBXWAEQ-NEPJUHHUSA-N 1 0 307.419 2.235 10 0 DEAERO CCc1nc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000174796414 402757952 /nfs/dbraw/zinc/75/79/52/402757952.db2.gz IHKDLHQGEZWOKY-DGCLKSJQSA-N 1 0 310.467 2.330 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc(F)cc1F ZINC000174963722 402767572 /nfs/dbraw/zinc/76/75/72/402767572.db2.gz OMAQTWUSGVTPEM-ZIAGYGMSSA-N 1 0 324.371 2.429 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)n[nH]c1C ZINC000175009824 402771509 /nfs/dbraw/zinc/77/15/09/402771509.db2.gz OLGAOJPIXXWMKR-HUUCEWRRSA-N 1 0 304.438 2.044 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(F)cc1F ZINC000175031797 402773047 /nfs/dbraw/zinc/77/30/47/402773047.db2.gz LUQGIMGLRIXIRN-UONOGXRCSA-N 1 0 323.387 2.462 10 0 DEAERO C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)N(C)c1ccccc1 ZINC000183514656 402773056 /nfs/dbraw/zinc/77/30/56/402773056.db2.gz AWNVKFDAIDUCEH-AWEZNQCLSA-N 1 0 312.417 2.402 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccon1 ZINC000183585983 402778924 /nfs/dbraw/zinc/77/89/24/402778924.db2.gz WBZBSGAWDPVYSP-JSGCOSHPSA-N 1 0 315.377 2.102 10 0 DEAERO Cc1nn(C(C)(C)C)cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000184404895 402841916 /nfs/dbraw/zinc/84/19/16/402841916.db2.gz WWHVDVBGQGHYQR-SWLSCSKDSA-N 1 0 306.454 2.405 10 0 DEAERO O=C(c1cc(F)ccc1O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175250612 402791747 /nfs/dbraw/zinc/79/17/47/402791747.db2.gz CYEHKIKEWWTPDH-UHFFFAOYSA-N 1 0 306.381 2.479 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000194318647 402792061 /nfs/dbraw/zinc/79/20/61/402792061.db2.gz FDEMHCQPOCVVSF-LBPRGKRZSA-N 1 0 307.394 2.310 10 0 DEAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCNC(=O)c1ccccc1 ZINC000183740473 402793223 /nfs/dbraw/zinc/79/32/23/402793223.db2.gz SBFFTIZLQMYLPO-CYBMUJFWSA-N 1 0 306.406 2.126 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)N1CCc2ccccc21 ZINC000175336372 402798563 /nfs/dbraw/zinc/79/85/63/402798563.db2.gz GNNJYFIZRYHZIA-KRWDZBQOSA-N 1 0 315.461 2.382 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NCc1ccccc1C ZINC000175345336 402798889 /nfs/dbraw/zinc/79/88/89/402798889.db2.gz OYAVIAFDWIFKDF-KRWDZBQOSA-N 1 0 303.450 2.027 10 0 DEAERO C[C@H](CNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000183830996 402800573 /nfs/dbraw/zinc/80/05/73/402800573.db2.gz WPOVCCWKHVMLBU-BZUAXINKSA-N 1 0 309.498 2.201 10 0 DEAERO CC(C)c1noc(CN2CCCN(c3ccccn3)CC2)n1 ZINC000183852482 402802010 /nfs/dbraw/zinc/80/20/10/402802010.db2.gz KUOUWHPHWMWLLE-UHFFFAOYSA-N 1 0 301.394 2.300 10 0 DEAERO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000175414656 402804737 /nfs/dbraw/zinc/80/47/37/402804737.db2.gz IDPXQAJHNVOGSO-GOEBONIOSA-N 1 0 311.470 2.101 10 0 DEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC2 ZINC000183932798 402806520 /nfs/dbraw/zinc/80/65/20/402806520.db2.gz DGSSQAUWWVLUGM-QWHCGFSZSA-N 1 0 322.453 2.426 10 0 DEAERO Cc1cc(N2CC[C@@H]([N@H+](C)Cc3ccc(C)cc3)C2=O)n(C)n1 ZINC000175478749 402810252 /nfs/dbraw/zinc/81/02/52/402810252.db2.gz YBBKJONXCFSCPY-MRXNPFEDSA-N 1 0 312.417 2.274 10 0 DEAERO CCc1ccc(C(=O)CCC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000194744795 402814211 /nfs/dbraw/zinc/81/42/11/402814211.db2.gz PQECQWVIUCBWHJ-INIZCTEOSA-N 1 0 302.418 2.422 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000194894721 402821515 /nfs/dbraw/zinc/82/15/15/402821515.db2.gz AVYYHTPMMGXLLG-BBRMVZONSA-N 1 0 318.421 2.094 10 0 DEAERO CSCCC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000175650834 402823286 /nfs/dbraw/zinc/82/32/86/402823286.db2.gz CYLSDQFQAFJYMX-UHFFFAOYSA-N 1 0 314.495 2.138 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C12CCC2 ZINC000175655919 402823700 /nfs/dbraw/zinc/82/37/00/402823700.db2.gz JUFIQBXXQDGZGO-OWCLPIDISA-N 1 0 321.465 2.214 10 0 DEAERO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)ccc1O ZINC000194973462 402825001 /nfs/dbraw/zinc/82/50/01/402825001.db2.gz ZMUGHDCNFVEIQA-ZDUSSCGKSA-N 1 0 303.362 2.472 10 0 DEAERO Cn1c2ccc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)cc2sc1=O ZINC000195024865 402827502 /nfs/dbraw/zinc/82/75/02/402827502.db2.gz MHLYVJFLUVFZIS-OCZCAGDBSA-N 1 0 318.442 2.193 10 0 DEAERO COc1cccc([C@H](C)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000195048103 402828855 /nfs/dbraw/zinc/82/88/55/402828855.db2.gz HBBHEPVBVQLDHD-GOEBONIOSA-N 1 0 302.418 2.495 10 0 DEAERO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000183637450 402784232 /nfs/dbraw/zinc/78/42/32/402784232.db2.gz OEOIGGVMDQNUFD-DZKIICNBSA-N 1 0 321.417 2.440 10 0 DEAERO CCCNC(=O)c1ccc(N(C)C[C@@H]2CCC[N@@H+]2CC)nc1 ZINC000175167253 402785084 /nfs/dbraw/zinc/78/50/84/402785084.db2.gz ILTCXYGWVGFIJO-HNNXBMFYSA-N 1 0 304.438 2.142 10 0 DEAERO CCn1c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)nc2cc(F)ccc21 ZINC000175210329 402788032 /nfs/dbraw/zinc/78/80/32/402788032.db2.gz IRPBZQQTYRRSEQ-LBPRGKRZSA-N 1 0 318.396 2.283 10 0 DEAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCCC2)cc1 ZINC000183681210 402788199 /nfs/dbraw/zinc/78/81/99/402788199.db2.gz RIMUHKNDPZMWFF-CQSZACIVSA-N 1 0 312.417 2.454 10 0 DEAERO CCn1cc(C2CC[NH+](CC(=O)NC(C)(C)CC)CC2)cn1 ZINC000195499864 402847525 /nfs/dbraw/zinc/84/75/25/402847525.db2.gz UCOFARYFSWRZFY-UHFFFAOYSA-N 1 0 306.454 2.387 10 0 DEAERO C[NH+](C)C1CCN(C(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000184521820 402848634 /nfs/dbraw/zinc/84/86/34/402848634.db2.gz CMIRCNGYZHSRFL-UHFFFAOYSA-N 1 0 320.441 2.341 10 0 DEAERO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515884 402848673 /nfs/dbraw/zinc/84/86/73/402848673.db2.gz FCUKZMQSGUBTEO-LSDHHAIUSA-N 1 0 304.438 2.120 10 0 DEAERO CC/C=C/CC[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000184528674 402849159 /nfs/dbraw/zinc/84/91/59/402849159.db2.gz INJBLHGWOKPQOF-WHLIDYPQSA-N 1 0 318.461 2.400 10 0 DEAERO CCS(=O)(=O)N(C)C1CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000274473593 403059040 /nfs/dbraw/zinc/05/90/40/403059040.db2.gz ACZWKQPULLRNMZ-SJORKVTESA-N 1 0 322.474 2.288 10 0 DEAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000275553114 403105256 /nfs/dbraw/zinc/10/52/56/403105256.db2.gz NMYASMYNBPTJBD-BBRMVZONSA-N 1 0 315.373 2.159 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000281850847 403097944 /nfs/dbraw/zinc/09/79/44/403097944.db2.gz XZALEXKVAAWSIY-UHFFFAOYSA-N 1 0 317.433 2.227 10 0 DEAERO CCOCCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000275918492 403132778 /nfs/dbraw/zinc/13/27/78/403132778.db2.gz JTKJGQDREQAOFV-KRWDZBQOSA-N 1 0 319.449 2.321 10 0 DEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000282361476 403146476 /nfs/dbraw/zinc/14/64/76/403146476.db2.gz NHVRDBYZWMLTTP-OIBJUYFYSA-N 1 0 303.225 2.267 10 0 DEAERO Cc1cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)ccc1-n1cncn1 ZINC000293874433 403588348 /nfs/dbraw/zinc/58/83/48/403588348.db2.gz JEUSIGFLWDCEFE-QGZVFWFLSA-N 1 0 312.417 2.455 10 0 DEAERO COCC[N@@H+]1CC[C@H](CNc2ccc(C(F)(F)F)cn2)C1 ZINC000301125287 403592498 /nfs/dbraw/zinc/59/24/98/403592498.db2.gz XYYHIOCEMIWQFM-LLVKDONJSA-N 1 0 303.328 2.481 10 0 DEAERO CCCc1ncc(C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)s1 ZINC000293840954 403577659 /nfs/dbraw/zinc/57/76/59/403577659.db2.gz HYHIOOXZIQSNEL-QWHCGFSZSA-N 1 0 323.462 2.031 10 0 DEAERO Cc1c(NC(=O)N2CCC3(CC[NH2+]C3)CC2)cnn1CC(C)C ZINC000333240050 403703399 /nfs/dbraw/zinc/70/33/99/403703399.db2.gz ZRPCZSFQSZJHDY-UHFFFAOYSA-N 1 0 319.453 2.455 10 0 DEAERO Cc1cc(Cl)cnc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000333280136 403715041 /nfs/dbraw/zinc/71/50/41/403715041.db2.gz HMCCRXWVIDVTES-MWLCHTKSSA-N 1 0 312.801 2.278 10 0 DEAERO c1ccc(COc2ccnc(N3CC[NH+]4CCC3CC4)n2)cc1 ZINC000302757271 403721976 /nfs/dbraw/zinc/72/19/76/403721976.db2.gz IYVLZBHMPZZRQH-UHFFFAOYSA-N 1 0 310.401 2.340 10 0 DEAERO CC(C)c1cc(N[C@@H]2CCC[C@@H]2O)nc(N[C@@H]2CCC[C@H]2O)[nH+]1 ZINC000302777846 403725467 /nfs/dbraw/zinc/72/54/67/403725467.db2.gz PRJBYCGVJAGKDY-RJZRQDKASA-N 1 0 320.437 2.251 10 0 DEAERO CC(C)(C)n1nccc1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333363293 403734779 /nfs/dbraw/zinc/73/47/79/403734779.db2.gz TXSKZCGQKQZEJK-UHFFFAOYSA-N 1 0 305.426 2.246 10 0 DEAERO CC(C)[C@H]1OCCC[C@H]1CNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333448092 403754281 /nfs/dbraw/zinc/75/42/81/403754281.db2.gz XDIMBBHGUOTQHD-JKSUJKDBSA-N 1 0 323.481 2.223 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000333674471 403810914 /nfs/dbraw/zinc/81/09/14/403810914.db2.gz NSOJIHCKMJTXOD-ZDUSSCGKSA-N 1 0 312.417 2.378 10 0 DEAERO Cc1cnc(C2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)s1 ZINC000333678335 403812758 /nfs/dbraw/zinc/81/27/58/403812758.db2.gz OJULAPVCVMDAAI-SMDDNHRTSA-N 1 0 322.478 2.339 10 0 DEAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000333720832 403831760 /nfs/dbraw/zinc/83/17/60/403831760.db2.gz GOOQHEBKIAPULO-DAXOMENPSA-N 1 0 321.396 2.049 10 0 DEAERO C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)C1 ZINC000333747333 403843590 /nfs/dbraw/zinc/84/35/90/403843590.db2.gz JPAGRJSZMKIXKA-VNHYZAJKSA-N 1 0 303.406 2.150 10 0 DEAERO C[NH2+]C[C@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)C1 ZINC000333747331 403844011 /nfs/dbraw/zinc/84/40/11/403844011.db2.gz JPAGRJSZMKIXKA-UMVBOHGHSA-N 1 0 303.406 2.150 10 0 DEAERO Cc1nc(N)nc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309931410 403964475 /nfs/dbraw/zinc/96/44/75/403964475.db2.gz WHXOIUKWTVCZEE-IUODEOHRSA-N 1 0 312.421 2.085 10 0 DEAERO C[C@@H](CC[NH2+]Cc1cccc(O)c1Br)[S@@](C)=O ZINC000315457400 404011019 /nfs/dbraw/zinc/01/10/19/404011019.db2.gz XBWDLCFMZSMNRK-HUTHGQBESA-N 1 0 320.252 2.401 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCc1cccn1C)CC2 ZINC000369635765 404173462 /nfs/dbraw/zinc/17/34/62/404173462.db2.gz CFWLLELZJPHBAY-LBPRGKRZSA-N 1 0 300.406 2.293 10 0 DEAERO COc1ccc2cc(C[N@@H+]3CCN4CCOC[C@H]4C3)ccc2c1 ZINC000363893744 404242282 /nfs/dbraw/zinc/24/22/82/404242282.db2.gz XQSVSEFKGFWHIC-GOSISDBHSA-N 1 0 312.413 2.365 10 0 DEAERO C[C@H]1CCC[C@@H](CC[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000329144346 404243340 /nfs/dbraw/zinc/24/33/40/404243340.db2.gz WGFOCIDVQIWHHR-OIPACUDHSA-N 1 0 318.465 2.498 10 0 DEAERO CC1(C)C[N@H+](CCOc2ccc(F)cc2)C[C@]2(CCOC2)O1 ZINC000369856109 404250852 /nfs/dbraw/zinc/25/08/52/404250852.db2.gz LRJWTIVLBGAZLV-KRWDZBQOSA-N 1 0 309.381 2.474 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000364241838 404330654 /nfs/dbraw/zinc/33/06/54/404330654.db2.gz HRKQPGIQYPLVBV-GXTWGEPZSA-N 1 0 302.374 2.114 10 0 DEAERO CN(C(=O)c1cc2ccccc2[nH]c1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000329442966 404339330 /nfs/dbraw/zinc/33/93/30/404339330.db2.gz KMYVYXAKENRXPU-MRXNPFEDSA-N 1 0 311.385 2.107 10 0 DEAERO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)cn1 ZINC000370013041 404304929 /nfs/dbraw/zinc/30/49/29/404304929.db2.gz VPHMIQXCVSHTMV-OAHLLOKOSA-N 1 0 313.401 2.256 10 0 DEAERO C[C@@H]1CCN(c2cncc3nncn32)CC[N@@H+]1Cc1ccccc1 ZINC000364683584 404498985 /nfs/dbraw/zinc/49/89/85/404498985.db2.gz SWKFSRVAVGKXGW-OAHLLOKOSA-N 1 0 322.416 2.225 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCC([C@@H](C)O)CC1)CC2 ZINC000364541915 404439448 /nfs/dbraw/zinc/43/94/48/404439448.db2.gz YPZXETHBQOUGBJ-TZMCWYRMSA-N 1 0 319.449 2.257 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H](C)C2CCCC2)CC(=O)N1C ZINC000330177859 404574514 /nfs/dbraw/zinc/57/45/14/404574514.db2.gz DGQBHADAGDUTOC-BKGUAONASA-N 1 0 318.465 2.477 10 0 DEAERO COc1cccc2c1CC[N@H+](C[C@H](O)CC(F)(F)F)CC2 ZINC000365357772 404631862 /nfs/dbraw/zinc/63/18/62/404631862.db2.gz MSTVQUBAYMDAQB-GFCCVEGCSA-N 1 0 303.324 2.409 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)CC1 ZINC000365547931 404688329 /nfs/dbraw/zinc/68/83/29/404688329.db2.gz PLTQQMBGMXLUBT-PBHICJAKSA-N 1 0 323.481 2.317 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCCC[C@H]1c1ccnn1C)C(C)C ZINC000356889519 404717530 /nfs/dbraw/zinc/71/75/30/404717530.db2.gz FYGAGYACFFSPTF-INIZCTEOSA-N 1 0 321.469 2.387 10 0 DEAERO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H](O)C1CCCCC1 ZINC000375471173 404723888 /nfs/dbraw/zinc/72/38/88/404723888.db2.gz PYHNAUXESUVBKI-XDNAFOTISA-N 1 0 311.466 2.180 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000415262261 404836157 /nfs/dbraw/zinc/83/61/57/404836157.db2.gz HWFRKGHROQBJQY-QGZVFWFLSA-N 1 0 318.421 2.181 10 0 DEAERO Cc1nccc(C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)n1 ZINC000366447024 404793295 /nfs/dbraw/zinc/79/32/95/404793295.db2.gz BSGHNLDRDPCMAR-CQSZACIVSA-N 1 0 300.410 2.337 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCCC[C@@H]1c1ccnn1C)C1CC1 ZINC000376129696 404806479 /nfs/dbraw/zinc/80/64/79/404806479.db2.gz HZBGCIPXOKPEJQ-MRXNPFEDSA-N 1 0 319.453 2.141 10 0 DEAERO COC(=O)c1cncc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000360119492 404818980 /nfs/dbraw/zinc/81/89/80/404818980.db2.gz VNKLBCGXVYRAIP-CYBMUJFWSA-N 1 0 314.389 2.196 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000361130139 404935079 /nfs/dbraw/zinc/93/50/79/404935079.db2.gz SHRABKUCFYPBJJ-OAHLLOKOSA-N 1 0 318.396 2.235 10 0 DEAERO COc1ccccc1C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(C)C ZINC000180581105 286499880 /nfs/dbraw/zinc/49/98/80/286499880.db2.gz ZMQVVGQQMROAOR-CVEARBPZSA-N 1 0 314.433 2.458 10 0 DEAERO COC(=O)[C@H](C)C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CC1 ZINC000434980948 404947594 /nfs/dbraw/zinc/94/75/94/404947594.db2.gz BZQMRTHXGYTUKQ-LLVKDONJSA-N 1 0 303.362 2.443 10 0 DEAERO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435047322 404952364 /nfs/dbraw/zinc/95/23/64/404952364.db2.gz FUYDMXVETGOADQ-UHFFFAOYSA-N 1 0 318.421 2.212 10 0 DEAERO OCCN1CCC[C@H]([NH2+]Cc2ccsc2Br)C1 ZINC000388981929 405036710 /nfs/dbraw/zinc/03/67/10/405036710.db2.gz PMYKQBDMSQRSLL-NSHDSACASA-N 1 0 319.268 2.057 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc(I)cc1 ZINC000389592701 405037869 /nfs/dbraw/zinc/03/78/69/405037869.db2.gz NCEDHORONAWTPL-CABZTGNLSA-N 1 0 316.186 2.213 10 0 DEAERO O=C(CCCCO)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000381797798 405031092 /nfs/dbraw/zinc/03/10/92/405031092.db2.gz QFQDUIYDVLYRMJ-RCCFBDPRSA-N 1 0 316.445 2.176 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN1c1ccnc2cc(Br)cnc21 ZINC000385186331 405034048 /nfs/dbraw/zinc/03/40/48/405034048.db2.gz KWMUDMPCRPTDIO-WPRPVWTQSA-N 1 0 307.195 2.318 10 0 DEAERO CC[N@@H+]1C[C@@H](C)N(Cc2nc3oc(C)c(C)c3c(N)n2)C[C@@H]1C ZINC000408048649 405099061 /nfs/dbraw/zinc/09/90/61/405099061.db2.gz ZABMLCLISHIGME-WDEREUQCSA-N 1 0 317.437 2.336 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H]2COCC2(C)C)cc1 ZINC000451808830 405047162 /nfs/dbraw/zinc/04/71/62/405047162.db2.gz KRQSRYXFQJYJSY-NHYWBVRUSA-N 1 0 304.390 2.231 10 0 DEAERO c1oc(-c2ccccc2)nc1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000405004927 405071116 /nfs/dbraw/zinc/07/11/16/405071116.db2.gz NDAVGJMPQNWWJY-AWEZNQCLSA-N 1 0 309.373 2.448 10 0 DEAERO Cc1cc(=O)[nH]c(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000408006285 405088140 /nfs/dbraw/zinc/08/81/40/405088140.db2.gz XIUFCBHXQCKBGT-CQSZACIVSA-N 1 0 303.406 2.186 10 0 DEAERO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H]2[C@H]3COC[C@H]32)CC1 ZINC000367578919 405091022 /nfs/dbraw/zinc/09/10/22/405091022.db2.gz XAWONHZSZIZLAE-HOUMAXQBSA-N 1 0 310.438 2.304 10 0 DEAERO CC1CCC(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000408069955 405104176 /nfs/dbraw/zinc/10/41/76/405104176.db2.gz GSDPCFXSTDDLBJ-CVSAEHQPSA-N 1 0 302.484 2.263 10 0 DEAERO CC(C)OCCOC1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000451952265 405106816 /nfs/dbraw/zinc/10/68/16/405106816.db2.gz OOWQRKXPRVRNNB-GFCCVEGCSA-N 1 0 313.360 2.206 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000367663007 405117458 /nfs/dbraw/zinc/11/74/58/405117458.db2.gz PARGLBIYGAPSPO-CYBMUJFWSA-N 1 0 310.825 2.457 10 0 DEAERO C[C@@H](C1CC1)n1nccc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000408345843 405180421 /nfs/dbraw/zinc/18/04/21/405180421.db2.gz NLIBADGOQKJHFY-UPJWGTAASA-N 1 0 305.426 2.410 10 0 DEAERO CC(C)[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CC[N@@H+]1C ZINC000408355535 405184931 /nfs/dbraw/zinc/18/49/31/405184931.db2.gz AOEUXRRGASHAGB-MRXNPFEDSA-N 1 0 317.433 2.078 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)COCC(F)(F)F ZINC000452745959 405237196 /nfs/dbraw/zinc/23/71/96/405237196.db2.gz ONWHFAUWROCZHQ-NEPJUHHUSA-N 1 0 310.360 2.335 10 0 DEAERO Cc1ccc(F)c(NC(=O)N[C@H](CO)C[NH+]2CCCCC2)c1 ZINC000454304161 405324897 /nfs/dbraw/zinc/32/48/97/405324897.db2.gz QXPFOMVIKZSTDA-ZDUSSCGKSA-N 1 0 309.385 2.102 10 0 DEAERO OCCC1([NH2+]C[C@@H](O)COc2ccccc2F)CCCCC1 ZINC000440897397 405330423 /nfs/dbraw/zinc/33/04/23/405330423.db2.gz RAJLYLAYNQVNEB-CQSZACIVSA-N 1 0 311.397 2.240 10 0 DEAERO Cc1csc2nc(C[NH2+]C3(CCO)CCCCC3)cc(=O)n12 ZINC000440909814 405330986 /nfs/dbraw/zinc/33/09/86/405330986.db2.gz OURIHMZAMMHKHT-UHFFFAOYSA-N 1 0 321.446 2.239 10 0 DEAERO C(CN1C[C@H]2CC[C@@H](C1)O2)[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000453346887 405291143 /nfs/dbraw/zinc/29/11/43/405291143.db2.gz PAKLTMWWOQXQMW-SFFUCWETSA-N 1 0 308.466 2.035 10 0 DEAERO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000446719607 405389819 /nfs/dbraw/zinc/38/98/19/405389819.db2.gz JAJCNOLMPYPTQM-QZTJIDSGSA-N 1 0 316.445 2.281 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CSc1ccc(F)c(F)c1 ZINC000638569068 405550075 /nfs/dbraw/zinc/55/00/75/405550075.db2.gz WMGMMXGCRBRCTJ-QWHCGFSZSA-N 1 0 300.374 2.314 10 0 DEAERO CC[C@@H](COC)[NH2+]Cc1snc(OC)c1Br ZINC000638670269 405606943 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c1ccc(N2CC[C@@H](C[N@@H+]3CCO[C@]4(CCOC4)C3)C2)cc1 ZINC000639052052 405846853 /nfs/dbraw/zinc/84/68/53/405846853.db2.gz HTWMELBXTQPPOY-FUHWJXTLSA-N 1 0 302.418 2.004 10 0 DEAERO C(C[N@@H+]1CCCC[C@H]1CN1CCOCC1)OCC1CCCC1 ZINC000459338876 405860970 /nfs/dbraw/zinc/86/09/70/405860970.db2.gz BEBOLIFGODJWHD-SFHVURJKSA-N 1 0 310.482 2.380 10 0 DEAERO COc1ccccc1NC(=O)C1CC[NH+](CC[C@@H](C)O)CC1 ZINC000450512050 405936408 /nfs/dbraw/zinc/93/64/08/405936408.db2.gz OULWKLOWUMXTDB-CYBMUJFWSA-N 1 0 306.406 2.117 10 0 DEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000423686211 405909002 /nfs/dbraw/zinc/90/90/02/405909002.db2.gz VRHPGGHFCOWHGD-GZMMTYOYSA-N 1 0 303.189 2.320 10 0 DEAERO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cncn1C ZINC000298593935 292370731 /nfs/dbraw/zinc/37/07/31/292370731.db2.gz JADCFXHTVNNQHM-GDBMZVCRSA-N 1 0 310.401 2.177 10 0 DEAERO CCc1cc(NC[C@@H]2C[C@H](F)CN2Cc2cc(C)no2)cc[nH+]1 ZINC000450463962 405912763 /nfs/dbraw/zinc/91/27/63/405912763.db2.gz UPEAQSYGGJHKTN-BBRMVZONSA-N 1 0 318.396 2.387 10 0 DEAERO c1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)nn1 ZINC000639277251 406016727 /nfs/dbraw/zinc/01/67/27/406016727.db2.gz KCUFYEQJRGQFJN-FUHWJXTLSA-N 1 0 311.433 2.442 10 0 DEAERO c1nc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)cc2c1OCCO2 ZINC000639297284 406028615 /nfs/dbraw/zinc/02/86/15/406028615.db2.gz RHMYQBJMDLVJLR-WMLDXEAASA-N 1 0 304.390 2.290 10 0 DEAERO COc1cc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)on1 ZINC000639325381 406045902 /nfs/dbraw/zinc/04/59/02/406045902.db2.gz WVEVVQGJWQIBBG-CJNGLKHVSA-N 1 0 301.390 2.293 10 0 DEAERO c1ccc(N2CCN(CCC[N@@H+]3C[C@@H]4C[C@H]3CS4)CC2)cc1 ZINC000459790771 406047703 /nfs/dbraw/zinc/04/77/03/406047703.db2.gz GXBRXXGDRFJSNZ-ROUUACIJSA-N 1 0 317.502 2.388 10 0 DEAERO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)c2ccccc21 ZINC000634533282 406161892 /nfs/dbraw/zinc/16/18/92/406161892.db2.gz QDXNHSBPRQYVCB-NSHDSACASA-N 1 0 308.428 2.389 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000533816331 406163429 /nfs/dbraw/zinc/16/34/29/406163429.db2.gz SHBBHUYRWBLJMR-IIAWOOMASA-N 1 0 302.422 2.183 10 0 DEAERO c1nc2n(n1)[C@@H](C[N@H+]1CC[C@H](COCc3ccccc3)C1)CC2 ZINC000639499397 406115731 /nfs/dbraw/zinc/11/57/31/406115731.db2.gz AQFHFXQYQYGAFG-DLBZAZTESA-N 1 0 312.417 2.304 10 0 DEAERO c1csc([C@H]2CSCCN2C[C@@H]2CCc3ncnn32)n1 ZINC000639590559 406159074 /nfs/dbraw/zinc/15/90/74/406159074.db2.gz XRNPRQYSLAZZBA-WDEREUQCSA-N 1 0 307.448 2.012 10 0 DEAERO c1csc([C@H]2CSCCN2C[C@H]2CCc3ncnn32)n1 ZINC000639590542 406159268 /nfs/dbraw/zinc/15/92/68/406159268.db2.gz XRNPRQYSLAZZBA-GHMZBOCLSA-N 1 0 307.448 2.012 10 0 DEAERO CCOC(=O)COc1ccc(C[N@H+](C)C2CCOCC2)cc1 ZINC000534345709 406184630 /nfs/dbraw/zinc/18/46/30/406184630.db2.gz SDHYWHSVNLESPQ-UHFFFAOYSA-N 1 0 307.390 2.239 10 0 DEAERO CC(C)C[C@H](CCO)C[NH2+]Cc1c(Br)cnn1C ZINC000487312189 406223750 /nfs/dbraw/zinc/22/37/50/406223750.db2.gz RKMSVQOPCWBQKE-NSHDSACASA-N 1 0 318.259 2.317 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000487322188 406224017 /nfs/dbraw/zinc/22/40/17/406224017.db2.gz PWVCPHWMUZFHCY-NDMJEZRESA-N 1 0 314.227 2.230 10 0 DEAERO CC(C)[N@@H+]1CC[C@@H](CNCc2cnnn2Cc2ccccc2)C1 ZINC000569064650 292386704 /nfs/dbraw/zinc/38/67/04/292386704.db2.gz JFAXHOPHMHAQKK-KRWDZBQOSA-N 1 0 313.449 2.146 10 0 DEAERO CC[C@@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccncc1 ZINC000546567284 406362673 /nfs/dbraw/zinc/36/26/73/406362673.db2.gz YFCFVZPFXBWBEW-MRXNPFEDSA-N 1 0 302.422 2.484 10 0 DEAERO C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000521358931 406342445 /nfs/dbraw/zinc/34/24/45/406342445.db2.gz HXBUGIWUTDFKPN-NSHDSACASA-N 1 0 302.296 2.153 10 0 DEAERO C([NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)C1([C@H]2CCCCO2)CCC1 ZINC000635012517 406399270 /nfs/dbraw/zinc/39/92/70/406399270.db2.gz MVEWJYNALBJHKG-BBWFWOEESA-N 1 0 308.466 2.082 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488978848 406366450 /nfs/dbraw/zinc/36/64/50/406366450.db2.gz KCEPTBCGINOCNF-TZMCWYRMSA-N 1 0 308.353 2.016 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000634975570 406380774 /nfs/dbraw/zinc/38/07/74/406380774.db2.gz BMWUNQHPPQVTMD-GTPINHCMSA-N 1 0 323.458 2.291 10 0 DEAERO c1nc2cc(C[NH2+]Cc3cccc(N4CCOCC4)n3)ccc2[nH]1 ZINC000547828235 406451827 /nfs/dbraw/zinc/45/18/27/406451827.db2.gz DKEYEDZDEOGHGT-UHFFFAOYSA-N 1 0 323.400 2.084 10 0 DEAERO COc1ccccc1[C@]1(C)C[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000524781815 406460369 /nfs/dbraw/zinc/46/03/69/406460369.db2.gz CAGLKJFFLBLTQU-XCRHUMRWSA-N 1 0 317.433 2.119 10 0 DEAERO CCC[NH+]1CCC(NC(=O)N2CCC(c3ncc[nH]3)CC2)CC1 ZINC000524790112 406461043 /nfs/dbraw/zinc/46/10/43/406461043.db2.gz MQSRTOBJRWBLDR-UHFFFAOYSA-N 1 0 319.453 2.173 10 0 DEAERO CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)CC1 ZINC000526003740 406531709 /nfs/dbraw/zinc/53/17/09/406531709.db2.gz ZXYJCPBGPHECGO-CQSZACIVSA-N 1 0 318.465 2.192 10 0 DEAERO c1cc2ncnc(N3CC[NH+](CCC[C@@H]4CCO4)CC3)c2s1 ZINC000638065533 406551773 /nfs/dbraw/zinc/55/17/73/406551773.db2.gz AEZYWVYIDZPTPD-CYBMUJFWSA-N 1 0 318.446 2.382 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)c2oc(COC(C)(C)C)nc2C)C1 ZINC000571291598 406502340 /nfs/dbraw/zinc/50/23/40/406502340.db2.gz QDVNTSNFRWMMML-LBPRGKRZSA-N 1 0 309.410 2.122 10 0 DEAERO C[C@@H]1CC[C@H](C)N(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638007409 406520826 /nfs/dbraw/zinc/52/08/26/406520826.db2.gz NJMNNTFUYLHKSB-HLLBOEOZSA-N 1 0 303.450 2.093 10 0 DEAERO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000527224761 406600010 /nfs/dbraw/zinc/60/00/10/406600010.db2.gz AEJTVZNBCPVPBC-WOPDTQHZSA-N 1 0 307.360 2.311 10 0 DEAERO c1c(C[N@@H+]2CCC3(C2)CCCCC3)nnn1C[C@H]1CCOC1 ZINC000638119886 406580196 /nfs/dbraw/zinc/58/01/96/406580196.db2.gz WKSHTWQEGBZNAN-OAHLLOKOSA-N 1 0 304.438 2.471 10 0 DEAERO c1ccc([C@@H](C[NH2+]CCC[C@H]2CCO2)N2CCOCC2)cc1 ZINC000638328334 406702975 /nfs/dbraw/zinc/70/29/75/406702975.db2.gz IFYGKOXCNGUEGF-ZWKOTPCHSA-N 1 0 304.434 2.219 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000635635975 406641552 /nfs/dbraw/zinc/64/15/52/406641552.db2.gz VMZUCKHZSIQZHX-UHFFFAOYSA-N 1 0 315.417 2.484 10 0 DEAERO CC[N@@H+]1CCN(C(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)[C@@H](C)C1 ZINC000553329396 406749990 /nfs/dbraw/zinc/74/99/90/406749990.db2.gz HERAPKWRKANTGY-KBPBESRZSA-N 1 0 318.465 2.191 10 0 DEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638429982 406768670 /nfs/dbraw/zinc/76/86/70/406768670.db2.gz LAMOYWOMXRXRGC-ONQFOCNCSA-N 1 0 315.461 2.235 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@@H](C)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000638363801 406725769 /nfs/dbraw/zinc/72/57/69/406725769.db2.gz YPNOXAUSLKYZEI-WMZOPIPTSA-N 1 0 307.482 2.265 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000554546279 406810782 /nfs/dbraw/zinc/81/07/82/406810782.db2.gz KXVNTTOEGKWBQD-HNNXBMFYSA-N 1 0 321.396 2.145 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Nc1nccn1-c1ccccc1 ZINC000554901905 406829026 /nfs/dbraw/zinc/82/90/26/406829026.db2.gz PQVFTTBEFWNVBZ-UHFFFAOYSA-N 1 0 301.394 2.288 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1nccn1-c1ccccc1 ZINC000555104786 406833766 /nfs/dbraw/zinc/83/37/66/406833766.db2.gz DHEGOTIDNLTZEI-MRXNPFEDSA-N 1 0 312.417 2.363 10 0 DEAERO CN(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(CO)cc2)nn1 ZINC000643731286 407034620 /nfs/dbraw/zinc/03/46/20/407034620.db2.gz NDMSPCDRBSDZGS-KRWDZBQOSA-N 1 0 312.417 2.372 10 0 DEAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCO[C@@H]2C)C1 ZINC000128895024 196001603 /nfs/dbraw/zinc/00/16/03/196001603.db2.gz AUKQECIZRNQCFH-QLFBSQMISA-N 1 0 311.470 2.364 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CC(C)(C)CO)C1 ZINC000128917317 196004129 /nfs/dbraw/zinc/00/41/29/196004129.db2.gz FORGJWHSWMFQSC-CYBMUJFWSA-N 1 0 300.443 2.242 10 0 DEAERO C[C@@H]([NH2+]Cc1cc(Br)cc2c1OCC2)[C@H](C)O ZINC000129175508 196026050 /nfs/dbraw/zinc/02/60/50/196026050.db2.gz BPFQFZKUZBTRSW-BDAKNGLRSA-N 1 0 300.196 2.243 10 0 DEAERO Cn1cc(COc2ccc(Br)c(CC[NH3+])c2)cn1 ZINC000129204099 196028427 /nfs/dbraw/zinc/02/84/27/196028427.db2.gz RCZJBKBGPLWKLM-UHFFFAOYSA-N 1 0 310.195 2.263 10 0 DEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)[C@H](OC)C1CC1 ZINC000129201440 196028661 /nfs/dbraw/zinc/02/86/61/196028661.db2.gz ZHMYCVTYCODFJI-ZWNOBZJWSA-N 1 0 316.243 2.047 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000129260053 196034314 /nfs/dbraw/zinc/03/43/14/196034314.db2.gz DDRHQRZANXYTNJ-MRXNPFEDSA-N 1 0 316.449 2.041 10 0 DEAERO CCOC(=O)COc1ccc(Br)c(C[C@H](C)[NH3+])c1 ZINC000129311518 196038489 /nfs/dbraw/zinc/03/84/89/196038489.db2.gz FIMZTMJSFRRPJL-VIFPVBQESA-N 1 0 316.195 2.281 10 0 DEAERO C[C@H]([NH3+])Cc1cc(OCc2ncon2)ccc1Br ZINC000129357908 196041220 /nfs/dbraw/zinc/04/12/20/196041220.db2.gz QNUITZPXAHBDLZ-QMMMGPOBSA-N 1 0 312.167 2.301 10 0 DEAERO CCOCCOc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129539564 196056575 /nfs/dbraw/zinc/05/65/75/196056575.db2.gz LSZYSOHAGQXQBF-YIONKMFJSA-N 1 0 318.417 2.115 10 0 DEAERO CCO[C@@H]1[C@H]([NH3+])C[C@@H]1Oc1ccc(OC)cc1Br ZINC000129670993 196067053 /nfs/dbraw/zinc/06/70/53/196067053.db2.gz UDCVQKDCOAJFIR-KGYLQXTDSA-N 1 0 316.195 2.341 10 0 DEAERO C[NH2+]C1(C)CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000129873705 196082331 /nfs/dbraw/zinc/08/23/31/196082331.db2.gz WMFFUHHQHRVXII-UHFFFAOYSA-N 1 0 302.827 2.103 10 0 DEAERO CC[NH2+][C@H](Cc1cnn(C)c1)c1ccc(Br)cn1 ZINC000130864583 196117902 /nfs/dbraw/zinc/11/79/02/196117902.db2.gz CJGFKDRHMIKYTD-CYBMUJFWSA-N 1 0 309.211 2.471 10 0 DEAERO CS[C@@H](C)CCNS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000130935513 196123560 /nfs/dbraw/zinc/12/35/60/196123560.db2.gz OPQUMDDVVXFXDQ-QWRGUYRKSA-N 1 0 302.465 2.126 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](C[N@H+](C2CC2)C2CCCC2)C1 ZINC000130960612 196126226 /nfs/dbraw/zinc/12/62/26/196126226.db2.gz YWXBCMZDZOULIO-CYBMUJFWSA-N 1 0 300.468 2.065 10 0 DEAERO COCC[NH2+][C@](C)(CO)c1ccc(Br)cc1F ZINC000131056338 196136216 /nfs/dbraw/zinc/13/62/16/196136216.db2.gz GLGBARZDUNMCGV-GFCCVEGCSA-N 1 0 306.175 2.032 10 0 DEAERO O=c1[nH]nc([C@@H]2CCC[NH2+]C2)n1-c1ccc(Cl)c(Cl)c1 ZINC000131135601 196142377 /nfs/dbraw/zinc/14/23/77/196142377.db2.gz NLAQNCHASFHZMC-MRVPVSSYSA-N 1 0 313.188 2.334 10 0 DEAERO CCOC(=O)CCC[NH2+]Cc1cccc(Br)n1 ZINC000131144334 196143593 /nfs/dbraw/zinc/14/35/93/196143593.db2.gz UHPZVNHKXCWBBH-UHFFFAOYSA-N 1 0 301.184 2.277 10 0 DEAERO C[C@@H](C[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000131186253 196147209 /nfs/dbraw/zinc/14/72/09/196147209.db2.gz CCLWWDMWYDQSIM-GJZGRUSLSA-N 1 0 310.463 2.051 10 0 DEAERO CCc1nsc(Sc2nc3ccccn3c2CC[NH3+])n1 ZINC000131205219 196149610 /nfs/dbraw/zinc/14/96/10/196149610.db2.gz VZIZJQOYJKMAOW-UHFFFAOYSA-N 1 0 305.432 2.401 10 0 DEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@@H](C)CCSC)c1 ZINC000131238107 196151992 /nfs/dbraw/zinc/15/19/92/196151992.db2.gz VLUHEMLVCHHFLY-NWDGAFQWSA-N 1 0 316.492 2.387 10 0 DEAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000131392160 196164123 /nfs/dbraw/zinc/16/41/23/196164123.db2.gz WNEOMPVQZGRQNB-CHWSQXEVSA-N 1 0 321.421 2.216 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)/C(C)=C/c2ccc(F)cc2)CC1 ZINC000131421569 196167271 /nfs/dbraw/zinc/16/72/71/196167271.db2.gz YKBOUKZVBKDPNM-ABDJAZHISA-N 1 0 320.408 2.144 10 0 DEAERO C[C@@H]1C[C@@H](N2C(=O)C3(CC3)N[C@H]2c2ccsc2)CC[N@@H+]1C ZINC000131446613 196169733 /nfs/dbraw/zinc/16/97/33/196169733.db2.gz GHTIFZXLGNBJJL-KWCYVHTRSA-N 1 0 305.447 2.194 10 0 DEAERO C[C@@H]1C[C@H](N2C(=O)C3(CC3)N[C@H]2c2ccsc2)CC[N@@H+]1C ZINC000131446229 196170072 /nfs/dbraw/zinc/17/00/72/196170072.db2.gz GHTIFZXLGNBJJL-MRVWCRGKSA-N 1 0 305.447 2.194 10 0 DEAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1cc(Cl)ccc1Br ZINC000131636693 196185817 /nfs/dbraw/zinc/18/58/17/196185817.db2.gz JFQBHFBYNGAKCF-APPZFPTMSA-N 1 0 319.586 2.015 10 0 DEAERO C[C@H](C[NH+](C)C)N1C(=O)C2(CCCC2)N[C@H]1c1cccs1 ZINC000131649070 196187366 /nfs/dbraw/zinc/18/73/66/196187366.db2.gz YPBRUAAYBFEXKP-TZMCWYRMSA-N 1 0 307.463 2.441 10 0 DEAERO [NH3+][C@@]1(C(=O)Nc2cc(Cl)ccc2Br)CCOC1 ZINC000131662505 196188991 /nfs/dbraw/zinc/18/89/91/196188991.db2.gz JFKSHKGXJKSPGH-NSHDSACASA-N 1 0 319.586 2.159 10 0 DEAERO Cc1cc(Br)c(N2CC[C@H]([NH3+])C2=O)cc1Cl ZINC000131883233 196207163 /nfs/dbraw/zinc/20/71/63/196207163.db2.gz LBECRPVAFKQMEN-VIFPVBQESA-N 1 0 303.587 2.475 10 0 DEAERO CC[NH2+]Cc1c(N(C)[C@@H]2CCCC[C@@H]2O)nc2sccn12 ZINC000132034311 196220224 /nfs/dbraw/zinc/22/02/24/196220224.db2.gz JDUOGFOIAGEHSU-YPMHNXCESA-N 1 0 308.451 2.245 10 0 DEAERO C[C@@H]([NH3+])c1ccc(OCC(=O)NCC(F)(F)F)c(Cl)c1 ZINC000132128440 196228553 /nfs/dbraw/zinc/22/85/53/196228553.db2.gz QQIDZYLZIVGOMU-SSDOTTSWSA-N 1 0 310.703 2.417 10 0 DEAERO CCC[NH2+]Cc1cn(-c2c(F)c(F)c(F)c(F)c2F)nn1 ZINC000132215407 196236161 /nfs/dbraw/zinc/23/61/61/196236161.db2.gz WMMFNZSDWLSNJR-UHFFFAOYSA-N 1 0 306.238 2.462 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1[C@@H](O)C(C)(C)C ZINC000132222951 196237284 /nfs/dbraw/zinc/23/72/84/196237284.db2.gz XLCQAAADASZYLZ-LLVKDONJSA-N 1 0 304.232 2.287 10 0 DEAERO Cc1cccc(Nc2cc(NN)[nH+]c(N)n2)c1Br ZINC000132327736 196246189 /nfs/dbraw/zinc/24/61/89/196246189.db2.gz MBKVAZYKVZEXLZ-UHFFFAOYSA-N 1 0 309.171 2.159 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H](COCc2ccccc2Br)O1 ZINC000132651766 196273458 /nfs/dbraw/zinc/27/34/58/196273458.db2.gz ONRYMLJRROIMAD-ZYHUDNBSSA-N 1 0 300.196 2.343 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H](COCc2cccc(Br)c2)O1 ZINC000132728591 196279051 /nfs/dbraw/zinc/27/90/51/196279051.db2.gz IWOXMRKXQNWLGK-ZWNOBZJWSA-N 1 0 300.196 2.343 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(F)c1 ZINC000132815425 196286368 /nfs/dbraw/zinc/28/63/68/196286368.db2.gz DOWAQFIYXBKONG-MRXNPFEDSA-N 1 0 316.376 2.320 10 0 DEAERO O[C@H](Cc1cc(F)cc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000133061085 196308041 /nfs/dbraw/zinc/30/80/41/196308041.db2.gz JBDIOCXALJFXQH-GXFFZTMASA-N 1 0 302.187 2.491 10 0 DEAERO COCc1nc(Nc2ccccc2Br)cc(NN)[nH+]1 ZINC000133081891 196310302 /nfs/dbraw/zinc/31/03/02/196310302.db2.gz JNPLWSZPOJZCCE-UHFFFAOYSA-N 1 0 324.182 2.415 10 0 DEAERO C[C@H]([NH3+])CCCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000133151083 196316283 /nfs/dbraw/zinc/31/62/83/196316283.db2.gz REWIJYBYOGUZOK-VIFPVBQESA-N 1 0 318.826 2.200 10 0 DEAERO CCc1cnc([C@@H](C)Nc2cc(NN)[nH+]c(COC)n2)s1 ZINC000133160855 196317185 /nfs/dbraw/zinc/31/71/85/196317185.db2.gz SAQFQMZYCABNIW-MRVPVSSYSA-N 1 0 308.411 2.101 10 0 DEAERO C[NH2+][C@H]1CCCN(C(=O)c2sc(-c3ccccn3)nc2C)C1 ZINC000133221504 196322864 /nfs/dbraw/zinc/32/28/64/196322864.db2.gz LXRHPYOBMBKONE-LBPRGKRZSA-N 1 0 316.430 2.338 10 0 DEAERO C[C@@](C[NH3+])(NS(=O)(=O)c1ccc2ccccc2c1)C1CC1 ZINC000133755699 196333652 /nfs/dbraw/zinc/33/36/52/196333652.db2.gz QWIDALSOBQHGJY-INIZCTEOSA-N 1 0 304.415 2.246 10 0 DEAERO C[C@@]1(C(=O)Nc2cccc(Br)c2O)CCC[NH2+]C1 ZINC000133844845 196339414 /nfs/dbraw/zinc/33/94/14/196339414.db2.gz IIDGRALMVYHPCB-CYBMUJFWSA-N 1 0 313.195 2.483 10 0 DEAERO CC[NH2+][C@H](c1c(Cl)cnn1CCOC)[C@H]1CO[C@@H](C)C1 ZINC000134095311 196361258 /nfs/dbraw/zinc/36/12/58/196361258.db2.gz MHJHLLMXAADIFD-LOWVWBTDSA-N 1 0 301.818 2.259 10 0 DEAERO C[NH2+][C@@H]1CSC[C@H]1c1nc(C2Cc3ccccc3C2)no1 ZINC000134830666 196421859 /nfs/dbraw/zinc/42/18/59/196421859.db2.gz OMRRLDXMVZPEFH-ZIAGYGMSSA-N 1 0 301.415 2.370 10 0 DEAERO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000137261164 196570323 /nfs/dbraw/zinc/57/03/23/196570323.db2.gz CWCONBYSIYMABU-GFCCVEGCSA-N 1 0 309.797 2.108 10 0 DEAERO C[C@](O)(C[NH2+]C1CC1)COc1ccc(F)c(Br)c1 ZINC000137534774 196576733 /nfs/dbraw/zinc/57/67/33/196576733.db2.gz HRWRWSPVIOZGCJ-ZDUSSCGKSA-N 1 0 318.186 2.470 10 0 DEAERO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1(CCO)CC1 ZINC000188035515 225008466 /nfs/dbraw/zinc/00/84/66/225008466.db2.gz JGTYUWQTLOMAKQ-UHFFFAOYSA-N 1 0 316.401 2.387 10 0 DEAERO Cc1ccc(C(=O)NCCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000191184700 225106403 /nfs/dbraw/zinc/10/64/03/225106403.db2.gz XTMCLAVMMLJVFW-UHFFFAOYSA-N 1 0 310.825 2.491 10 0 DEAERO C[C@@H](c1cnccn1)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195269492 225200086 /nfs/dbraw/zinc/20/00/86/225200086.db2.gz YHIWDYRYLWGDOZ-DOTOQJQBSA-N 1 0 311.433 2.387 10 0 DEAERO C[C@H](c1cnccn1)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195269506 225200891 /nfs/dbraw/zinc/20/08/91/225200891.db2.gz YHIWDYRYLWGDOZ-NVXWUHKLSA-N 1 0 311.433 2.387 10 0 DEAERO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000248948873 225241195 /nfs/dbraw/zinc/24/11/95/225241195.db2.gz CUGCKDAOHSXBAI-NOLJZWGESA-N 1 0 318.417 2.018 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000291663591 222540539 /nfs/dbraw/zinc/54/05/39/222540539.db2.gz FKSLWNBMVIKCFF-KZNAEPCWSA-N 1 0 324.428 2.374 10 0 DEAERO C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc3ccccc32)C[NH2+]1 ZINC000122160545 424854502 /nfs/dbraw/zinc/85/45/02/424854502.db2.gz QZAYPMSDCHNONB-OCCSQVGLSA-N 1 0 304.415 2.259 10 0 DEAERO C[NH+](C)CCOc1cccc(CNC(=O)Cc2ccccc2)c1 ZINC000193757324 424870919 /nfs/dbraw/zinc/87/09/19/424870919.db2.gz VWZMNFGZPFVWEF-UHFFFAOYSA-N 1 0 312.413 2.486 10 0 DEAERO Cc1ccc(C)c(OC[C@@H](O)CN2CCC([NH+](C)C)CC2)c1 ZINC000193811640 424871362 /nfs/dbraw/zinc/87/13/62/424871362.db2.gz FHZZKRVJCOSDMM-KRWDZBQOSA-N 1 0 306.450 2.069 10 0 DEAERO COCCOc1ccccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000194550032 424877240 /nfs/dbraw/zinc/87/72/40/424877240.db2.gz QLQMXGXJESPLJX-UHFFFAOYSA-N 1 0 321.421 2.270 10 0 DEAERO CC(C)n1ncnc1CN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389839278 424915505 /nfs/dbraw/zinc/91/55/05/424915505.db2.gz MMHDDRCEOKFLAR-WBVHZDCISA-N 1 0 313.449 2.469 10 0 DEAERO C[C@H]1C[C@@H](c2nc(-c3cnc(C4CC4)nc3N)no2)CC[N@@H+]1C ZINC000333764125 424923686 /nfs/dbraw/zinc/92/36/86/424923686.db2.gz DBZAZUKDOXKQLH-ONGXEEELSA-N 1 0 314.393 2.184 10 0 DEAERO CC(C)(O)CCN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404214980 424925880 /nfs/dbraw/zinc/92/58/80/424925880.db2.gz SRQFPUVPQLIDGJ-QZTJIDSGSA-N 1 0 318.461 2.123 10 0 DEAERO Cc1ccc(C[NH2+]CC[C@]2(O)CCOC2)cc1Br ZINC000404215349 424926234 /nfs/dbraw/zinc/92/62/34/424926234.db2.gz SUPIHRLFYWGREX-AWEZNQCLSA-N 1 0 314.223 2.389 10 0 DEAERO C[C@@H](OCc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000404549726 424928049 /nfs/dbraw/zinc/92/80/49/424928049.db2.gz OXNDCIFUGITCNU-GDBMZVCRSA-N 1 0 302.418 2.383 10 0 DEAERO COCc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)o1 ZINC000088229678 267398624 /nfs/dbraw/zinc/39/86/24/267398624.db2.gz AFHUTSQRGUOEBT-UHFFFAOYSA-N 1 0 306.362 2.223 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2cccc(F)c2Br)CC1=O ZINC000657695223 425386973 /nfs/dbraw/zinc/38/69/73/425386973.db2.gz JRTKVUHCVTXAEG-SECBINFHSA-N 1 0 315.186 2.156 10 0 DEAERO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c(Br)c1 ZINC000657694262 425387394 /nfs/dbraw/zinc/38/73/94/425387394.db2.gz BLQNFWWZDGEQQE-NSHDSACASA-N 1 0 311.223 2.325 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c(OC)c1 ZINC000125744616 267429091 /nfs/dbraw/zinc/42/90/91/267429091.db2.gz QZWWYKYEMFTUQK-SUMWQHHRSA-N 1 0 309.406 2.144 10 0 DEAERO CCn1ccnc1[C@@H]1OCC[C@H]1C[NH2+]Cc1nc(C)ccc1O ZINC000657650651 425382547 /nfs/dbraw/zinc/38/25/47/425382547.db2.gz GNEQQSOLGXGYBQ-XJKSGUPXSA-N 1 0 316.405 2.179 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)C2CCC2)[C@H](C)C1 ZINC000175001193 267511897 /nfs/dbraw/zinc/51/18/97/267511897.db2.gz OYGPEVXCCDRTEP-ZBFHGGJFSA-N 1 0 311.470 2.317 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC[C@H]1C ZINC000187618228 267666443 /nfs/dbraw/zinc/66/64/43/267666443.db2.gz ORRKMDQLJUBJOQ-BZUAXINKSA-N 1 0 311.470 2.175 10 0 DEAERO CN(C(=O)[C@H]1Cc2ccccc2S1)[C@@H](C[NH3+])C(F)(F)F ZINC000662979240 425769957 /nfs/dbraw/zinc/76/99/57/425769957.db2.gz UUBXHFWZWKBDED-MNOVXSKESA-N 1 0 304.337 2.051 10 0 DEAERO OCC1CC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000663374819 425833085 /nfs/dbraw/zinc/83/30/85/425833085.db2.gz OQGYQGBOVYRPFR-QEWOUOOISA-N 1 0 320.216 2.094 10 0 DEAERO CCC[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCC1 ZINC000324839078 268850842 /nfs/dbraw/zinc/85/08/42/268850842.db2.gz BWYYAMYFOFBQBF-UKRRQHHQSA-N 1 0 302.484 2.216 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C12CCCC2 ZINC000333800472 268993305 /nfs/dbraw/zinc/99/33/05/268993305.db2.gz HRZUCIZXGCOAHW-FXUDXRNXSA-N 1 0 323.481 2.364 10 0 DEAERO O=C(Nc1ccc2c(c1)OCO2)N1CCC2(CC[NH2+]C2)CC1 ZINC000333932477 269005482 /nfs/dbraw/zinc/00/54/82/269005482.db2.gz GVTSJAZWQQOMDO-UHFFFAOYSA-N 1 0 303.362 2.023 10 0 DEAERO COC1([C@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1 ZINC000334040181 269010187 /nfs/dbraw/zinc/01/01/87/269010187.db2.gz ODFAURRWXPYOTB-AVOUXACISA-N 1 0 309.454 2.259 10 0 DEAERO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000360015032 269046192 /nfs/dbraw/zinc/04/61/92/269046192.db2.gz KGROTUUVSBWSCL-INIZCTEOSA-N 1 0 314.389 2.185 10 0 DEAERO CCCCn1cc(CNC(=O)CC2CC[NH+](C)CC2)c(C)n1 ZINC000362979691 269050854 /nfs/dbraw/zinc/05/08/54/269050854.db2.gz KKESNLGCGBRDRN-UHFFFAOYSA-N 1 0 306.454 2.340 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)oc2C)C1 ZINC000396670253 269103449 /nfs/dbraw/zinc/10/34/49/269103449.db2.gz 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ZINC000496009446 269192635 /nfs/dbraw/zinc/19/26/35/269192635.db2.gz YOVMOLVHKVJFEW-NWDGAFQWSA-N 1 0 322.396 2.239 10 0 DEAERO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)CCCOc1ccccc1C(N)=O ZINC000514639650 269325376 /nfs/dbraw/zinc/32/53/76/269325376.db2.gz SUKLXVFACGPYKI-MJBXVCDLSA-N 1 0 308.422 2.346 10 0 DEAERO Cc1nccn1CCCCNC(=O)NCCOCC1CCC1 ZINC000515335315 269349613 /nfs/dbraw/zinc/34/96/13/269349613.db2.gz ARBFORSKJXIFKG-UHFFFAOYSA-N 1 0 308.426 2.088 10 0 DEAERO COC[C@H](C[NH2+][C@H](C)c1ccc(Br)cn1)OC ZINC000516829974 269369786 /nfs/dbraw/zinc/36/97/86/269369786.db2.gz JVNQPJDSDMAUAB-KOLCDFICSA-N 1 0 303.200 2.156 10 0 DEAERO COc1nc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc2ccccc21 ZINC000186948575 274167257 /nfs/dbraw/zinc/16/72/57/274167257.db2.gz CBOJVVIEBFCMHX-NWANDNLSSA-N 1 0 311.385 2.053 10 0 DEAERO C[C@@H]1CN(Cc2ccc(Cl)cc2-n2cncn2)C[C@@]1(C)C[NH3+] ZINC000415057524 274353979 /nfs/dbraw/zinc/35/39/79/274353979.db2.gz PWTHTINGDVQZCC-MLGOLLRUSA-N 1 0 319.840 2.337 10 0 DEAERO Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3cnn(C)c3)C2=O)c(C)c1 ZINC000190956478 274684642 /nfs/dbraw/zinc/68/46/42/274684642.db2.gz CTLSMFLEAMJQMH-INIZCTEOSA-N 1 0 312.417 2.240 10 0 DEAERO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000178492466 274951264 /nfs/dbraw/zinc/95/12/64/274951264.db2.gz XEKATSCCJSGIIP-GFCCVEGCSA-N 1 0 319.430 2.074 10 0 DEAERO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)CC1(CO)CC1 ZINC000190010172 276141762 /nfs/dbraw/zinc/14/17/62/276141762.db2.gz ZLMGRMFMCFOKOZ-OAHLLOKOSA-N 1 0 304.434 2.128 10 0 DEAERO CCNC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000246182496 276257431 /nfs/dbraw/zinc/25/74/31/276257431.db2.gz HBWJMLDJCJGSGP-IAGOWNOFSA-N 1 0 304.434 2.491 10 0 DEAERO CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC12COC2 ZINC000451137799 276289156 /nfs/dbraw/zinc/28/91/56/276289156.db2.gz PNVCFBRZUUPKMW-HOTGVXAUSA-N 1 0 319.376 2.325 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3nc[nH]c32)[C@@H](C)C1 ZINC000370477429 276398806 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C[N@@H+]1CCC[C@H]2CN(C(=O)NC3Cc4ccccc4C3)CC[C@H]21 ZINC000248395423 277083002 /nfs/dbraw/zinc/08/30/02/277083002.db2.gz JCZIHLKQSHNQHA-FUHWJXTLSA-N 1 0 313.445 2.280 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC2Cc3ccccc3C2)C1 ZINC000248394744 277155073 /nfs/dbraw/zinc/15/50/73/277155073.db2.gz IHTJAMMBNTZFEI-FUHWJXTLSA-N 1 0 313.445 2.280 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NC2(CO)CCCC2)[C@@H]1c1ccccc1 ZINC000179482580 277166328 /nfs/dbraw/zinc/16/63/28/277166328.db2.gz ONQFJPXQUSTUTO-HOTGVXAUSA-N 1 0 317.433 2.036 10 0 DEAERO COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000249149509 277246440 /nfs/dbraw/zinc/24/64/40/277246440.db2.gz XKQKXPROJPTSAY-SJORKVTESA-N 1 0 309.450 2.352 10 0 DEAERO COc1cccc([C@@H](C)N2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262114009 277456757 /nfs/dbraw/zinc/45/67/57/277456757.db2.gz WRYZZXLSHADQIF-APWZRJJASA-N 1 0 317.477 2.373 10 0 DEAERO CS[C@@H](C)CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000122973060 278141530 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C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCOC[C@@H]1C ZINC000248881446 279283194 /nfs/dbraw/zinc/28/31/94/279283194.db2.gz SKNYXJURVQGUAV-ZMSDIMECSA-N 1 0 304.434 2.296 10 0 DEAERO CC(C)N(C(=O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C)c1ccccc1 ZINC000103285658 279284784 /nfs/dbraw/zinc/28/47/84/279284784.db2.gz BDBLCQJTTTWTOG-CABCVRRESA-N 1 0 317.433 2.014 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000247608149 279318668 /nfs/dbraw/zinc/31/86/68/279318668.db2.gz LYZGZCZJTQQDPV-KBPBESRZSA-N 1 0 305.426 2.131 10 0 DEAERO C[C@@H]1C[N@H+](CC2CCC(C(F)(F)F)CC2)CCN1CCO ZINC000187734483 288150330 /nfs/dbraw/zinc/15/03/30/288150330.db2.gz VJBNXPYGXKFDCR-IYXRBSQSSA-N 1 0 308.388 2.354 10 0 DEAERO C[C@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCS1 ZINC000171409456 279797360 /nfs/dbraw/zinc/79/73/60/279797360.db2.gz QABIKQYTFAVUBC-NWDGAFQWSA-N 1 0 313.492 2.498 10 0 DEAERO C[C@](C[NH3+])(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000130360924 280140100 /nfs/dbraw/zinc/14/01/00/280140100.db2.gz OABBUYQZOCKDJL-GFCCVEGCSA-N 1 0 323.245 2.399 10 0 DEAERO CC[C@](C)(O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000249380405 281292852 /nfs/dbraw/zinc/29/28/52/281292852.db2.gz OZSOYLZXXHUJJK-CFAJVAMVSA-N 1 0 312.454 2.383 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCC(C)(C)C ZINC000246272128 288317927 /nfs/dbraw/zinc/31/79/27/288317927.db2.gz VAJVETNWLZYNIX-KBPBESRZSA-N 1 0 302.484 2.311 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)CC2 ZINC000194095132 281529887 /nfs/dbraw/zinc/52/98/87/281529887.db2.gz RVNOLKKWPPNVPR-BQGCOEIASA-N 1 0 316.449 2.093 10 0 DEAERO C[C@H](C(=O)N1CCCc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246239195 289281834 /nfs/dbraw/zinc/28/18/34/289281834.db2.gz DCQCTJWPGQFQDX-WBVHZDCISA-N 1 0 313.445 2.134 10 0 DEAERO C[C@H](C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C)C1C[NH2+]C1 ZINC000262309893 289311816 /nfs/dbraw/zinc/31/18/16/289311816.db2.gz BRVOFDVGOKUPOA-WQGACYEGSA-N 1 0 322.836 2.484 10 0 DEAERO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246849928 289323506 /nfs/dbraw/zinc/32/35/06/289323506.db2.gz PBSLYCBHDSUFKO-VQHPVUNQSA-N 1 0 307.482 2.335 10 0 DEAERO CN1C(=O)C[C@@H]([NH2+]C2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000090968717 289828422 /nfs/dbraw/zinc/82/84/22/289828422.db2.gz KSXRWEXNXLDGCC-GDBMZVCRSA-N 1 0 308.809 2.380 10 0 DEAERO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCO[C@@H]1c1ccnn1C ZINC000284647851 293115837 /nfs/dbraw/zinc/11/58/37/293115837.db2.gz OODJDGTXTBBICR-BQFCYCMXSA-N 1 0 315.417 2.097 10 0 DEAERO COCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261999801 293317017 /nfs/dbraw/zinc/31/70/17/293317017.db2.gz UKDWXEBKEZZNJY-RCCFBDPRSA-N 1 0 304.434 2.080 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000086468776 297062979 /nfs/dbraw/zinc/06/29/79/297062979.db2.gz CHIIVDLZLKQVSB-OLZOCXBDSA-N 1 0 310.463 2.355 10 0 DEAERO COc1ccc(CC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1F ZINC000046858116 295116084 /nfs/dbraw/zinc/11/60/84/295116084.db2.gz ANKSGYJXYWEYKO-CYBMUJFWSA-N 1 0 308.397 2.367 10 0 DEAERO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261879752 298115959 /nfs/dbraw/zinc/11/59/59/298115959.db2.gz UNJDDYCWUJWGQG-CKEIUWERSA-N 1 0 315.461 2.412 10 0 DEAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000186671780 300000875 /nfs/dbraw/zinc/00/08/75/300000875.db2.gz KJSSZHHEZJHQKN-FZMZJTMJSA-N 1 0 304.438 2.243 10 0 DEAERO C[C@H]1CC[C@@H](C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)O1 ZINC000154622337 300029600 /nfs/dbraw/zinc/02/96/00/300029600.db2.gz LPNGGWKXPUUQEC-BBRMVZONSA-N 1 0 306.406 2.270 10 0 DEAERO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000125591600 300322402 /nfs/dbraw/zinc/32/24/02/300322402.db2.gz QDQURRYTZGONFN-CYZMBNFOSA-N 1 0 310.344 2.212 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H](C)C2CCCC2)CC(=O)N1C ZINC000330177861 302781040 /nfs/dbraw/zinc/78/10/40/302781040.db2.gz DGQBHADAGDUTOC-PZDGAKPMSA-N 1 0 318.465 2.477 10 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COC(=O)c1ccc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)nc1OC ZINC000302531631 534229943 /nfs/dbraw/zinc/22/99/43/534229943.db2.gz CWQSUGXOSBHUKY-DGCLKSJQSA-N 1 0 307.394 2.017 10 0 DEAERO CC[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1C[C@@H](C)[S@](C)=O ZINC000166370568 517788540 /nfs/dbraw/zinc/78/85/40/517788540.db2.gz MPFUAXVCHRWCIV-BCEDRHLLSA-N 1 0 300.512 2.386 10 0 DEAERO CC(C)(C)CCCCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000105253500 518642211 /nfs/dbraw/zinc/64/22/11/518642211.db2.gz VAZRLVMMMKPYOQ-OAHLLOKOSA-N 1 0 313.486 2.349 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCOc2ccc(C=O)cc2)[C@@H](C)C1 ZINC000161316006 519695481 /nfs/dbraw/zinc/69/54/81/519695481.db2.gz CWAFFOZWJCUFJV-YOEHRIQHSA-N 1 0 318.417 2.113 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1C ZINC000248901388 519737923 /nfs/dbraw/zinc/73/79/23/519737923.db2.gz HICAZQLXUUOISK-PXAZEXFGSA-N 1 0 317.433 2.412 10 0 DEAERO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C)[C@H](C)CO)cc1 ZINC000131797374 520699578 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C[NH+](C)[C@H]1CCN(C(=O)NCCOc2cccc(Cl)c2)C1 ZINC000170831509 522102828 /nfs/dbraw/zinc/10/28/28/522102828.db2.gz YJHAPVFWFAGDBZ-ZDUSSCGKSA-N 1 0 311.813 2.064 10 0 DEAERO CCc1nc(CNC(=O)N(CC[NH+](C)C)CC(C)C)cs1 ZINC000107854563 522330176 /nfs/dbraw/zinc/33/01/76/522330176.db2.gz XRABNBAPJDUHBE-UHFFFAOYSA-N 1 0 312.483 2.435 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@H+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC000105922558 522600831 /nfs/dbraw/zinc/60/08/31/522600831.db2.gz LXZJKEWXTPJHAU-HOTGVXAUSA-N 1 0 318.465 2.483 10 0 DEAERO CCc1noc([C@H](C)N2CC[NH+](CCCCCOC)CC2)n1 ZINC000105916406 522911945 /nfs/dbraw/zinc/91/19/45/522911945.db2.gz CXKBFKUFFKBGFJ-AWEZNQCLSA-N 1 0 310.442 2.127 10 0 DEAERO COCc1cc(NCC2CC[NH2+]CC2)nc(-c2ccncc2)n1 ZINC000070456021 522933098 /nfs/dbraw/zinc/93/30/98/522933098.db2.gz QIOZAFHREIXZFV-UHFFFAOYSA-N 1 0 313.405 2.097 10 0 DEAERO COC(=O)CC[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000246489350 523117380 /nfs/dbraw/zinc/11/73/80/523117380.db2.gz PCIUCFQOMBTPSN-XHSDSOJGSA-N 1 0 318.417 2.315 10 0 DEAERO O=C(C[C@@H]1CCCCC(=O)N1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000328679824 534687364 /nfs/dbraw/zinc/68/73/64/534687364.db2.gz UEULUOMARFBBDV-GJZGRUSLSA-N 1 0 307.438 2.220 10 0 DEAERO CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000246748564 523295784 /nfs/dbraw/zinc/29/57/84/523295784.db2.gz ZRMYILCFJNWYNZ-RWMBFGLXSA-N 1 0 300.406 2.361 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1ccccc1F ZINC000111864459 523831796 /nfs/dbraw/zinc/83/17/96/523831796.db2.gz CODFRMUZIITNLL-HNNXBMFYSA-N 1 0 323.412 2.078 10 0 DEAERO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246926086 524164307 /nfs/dbraw/zinc/16/43/07/524164307.db2.gz IDEZOGAPBDWMMJ-KRIMKBQASA-N 1 0 318.465 2.293 10 0 DEAERO C[C@@H](C[NH2+]C(C)(C)COCc1ccccc1)CS(C)(=O)=O ZINC000337308626 524732660 /nfs/dbraw/zinc/73/26/60/524732660.db2.gz YFBUTGAQCLVOIQ-AWEZNQCLSA-N 1 0 313.463 2.252 10 0 DEAERO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n(C)n1 ZINC000245624380 525197553 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CCCN(CC[NH+]1CCCC1)C(=O)NCCc1cc(C)no1 ZINC000358025465 535332240 /nfs/dbraw/zinc/33/22/40/535332240.db2.gz AJFRFOPMBIJAEO-UHFFFAOYSA-N 1 0 308.426 2.043 10 0 DEAERO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192720552 535440350 /nfs/dbraw/zinc/44/03/50/535440350.db2.gz AMKFGMAYSHIAAF-QWRGUYRKSA-N 1 0 322.430 2.277 10 0 DEAERO CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@@H](O)CN1CCCC1=O ZINC000247737511 535773179 /nfs/dbraw/zinc/77/31/79/535773179.db2.gz VRFJFOJDGKBIIH-ZWKOTPCHSA-N 1 0 318.461 2.313 10 0 DEAERO C[NH+](C)CCCCCCCNC(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190636728 535826338 /nfs/dbraw/zinc/82/63/38/535826338.db2.gz HIJFICLAHXHQOB-OAGGEKHMSA-N 1 0 311.470 2.365 10 0 DEAERO CC[C@H](C)[C@@H](CNC(=O)NCCC1CC[NH+](CC)CC1)OC ZINC000454658677 535840631 /nfs/dbraw/zinc/84/06/31/535840631.db2.gz QWRYUQJQHQBIEB-GOEBONIOSA-N 1 0 313.486 2.469 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000248901828 535873445 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COc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)c(F)c1 ZINC000261665965 536706760 /nfs/dbraw/zinc/70/67/60/536706760.db2.gz FSPXTFAHZAGUHV-UHFFFAOYSA-N 1 0 316.376 2.478 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2F)CC[C@@H]1C ZINC000251602777 536730539 /nfs/dbraw/zinc/73/05/39/536730539.db2.gz FVWAKVPPKJNRKK-JLJPHGGASA-N 1 0 311.397 2.060 10 0 DEAERO COC(=O)[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000360335289 536745711 /nfs/dbraw/zinc/74/57/11/536745711.db2.gz GIXLIQOUVHXUSF-JCGIZDLHSA-N 1 0 316.445 2.438 10 0 DEAERO COc1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc2ccccc21 ZINC000449235341 536761024 /nfs/dbraw/zinc/76/10/24/536761024.db2.gz FWQHVYBPASRJPL-KRWDZBQOSA-N 1 0 312.413 2.365 10 0 DEAERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H](OC)C2)cc1 ZINC000251781325 536761292 /nfs/dbraw/zinc/76/12/92/536761292.db2.gz LJXBAZPUUSNUMH-XJKSGUPXSA-N 1 0 306.406 2.381 10 0 DEAERO COc1cc(CN2CC[C@H](C)C[C@@H]2C[NH3+])cc(OC)c1OC ZINC000262556713 536766242 /nfs/dbraw/zinc/76/62/42/536766242.db2.gz 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ZINC000247416671 624528085 /nfs/dbraw/zinc/52/80/85/624528085.db2.gz JRGGNPVKXJMBFS-GJZGRUSLSA-N 1 0 320.437 2.239 10 0 DEAERO C[NH2+]CCc1noc(-c2ccc(OC)c(Br)c2)n1 ZINC000051850917 624936306 /nfs/dbraw/zinc/93/63/06/624936306.db2.gz COTXLULETDSFKK-UHFFFAOYSA-N 1 0 312.167 2.270 10 0 DEAERO COc1cc(C)c(C[NH2+]C[C@H]2CCO[C@@H]2c2cn[nH]c2)c(C)n1 ZINC000888078049 625056664 /nfs/dbraw/zinc/05/66/64/625056664.db2.gz HNRPAEFRXBVEHZ-DYVFJYSZSA-N 1 0 316.405 2.298 10 0 DEAERO CC(C)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)Nc1ccccc1 ZINC000066243468 625056950 /nfs/dbraw/zinc/05/69/50/625056950.db2.gz XADUZNXMWLUXKI-HOTGVXAUSA-N 1 0 304.438 2.206 10 0 DEAERO Cc1ccc(CSCCNC(=[NH2+])NC[C@@H]2CCCO2)cc1 ZINC000066242251 625057101 /nfs/dbraw/zinc/05/71/01/625057101.db2.gz ZFMXXDZPZPTLFC-HNNXBMFYSA-N 1 0 307.463 2.312 10 0 DEAERO COCC[C@H]([NH3+])C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000052792481 625105047 /nfs/dbraw/zinc/10/50/47/625105047.db2.gz YXFTWQSVQAUVPM-NWDGAFQWSA-N 1 0 314.838 2.357 10 0 DEAERO C[C@@H]([NH3+])c1nc(-c2nc(COCC(F)(F)F)no2)cs1 ZINC000235185330 625258976 /nfs/dbraw/zinc/25/89/76/625258976.db2.gz KTTPITPRHBVPDV-RXMQYKEDSA-N 1 0 308.285 2.292 10 0 DEAERO C[C@H]([NH3+])c1nc(-c2nc(COCC(F)(F)F)no2)cs1 ZINC000235508936 625863822 /nfs/dbraw/zinc/86/38/22/625863822.db2.gz KTTPITPRHBVPDV-YFKPBYRVSA-N 1 0 308.285 2.292 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)CSC(C)(C)C)C1 ZINC000073508428 634115594 /nfs/dbraw/zinc/11/55/94/634115594.db2.gz ZJIKLEJPNMFIJE-ZDUSSCGKSA-N 1 0 303.468 2.418 10 0 DEAERO CCC[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1CCCCO1 ZINC000091619088 635144575 /nfs/dbraw/zinc/14/45/75/635144575.db2.gz ADGKNHIXCSMBHB-LBPRGKRZSA-N 1 0 310.360 2.336 10 0 DEAERO Cn1nccc1CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000186460419 635158890 /nfs/dbraw/zinc/15/88/90/635158890.db2.gz YFSWJDXKOANKRB-AWEZNQCLSA-N 1 0 322.453 2.199 10 0 DEAERO C[C@@H](CNC(=O)Nc1ccc2nccn2c1)[NH+]1CCCCC1 ZINC000738951540 635678869 /nfs/dbraw/zinc/67/88/69/635678869.db2.gz WROJNLDWMNELDC-ZDUSSCGKSA-N 1 0 301.394 2.330 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000178561424 635790255 /nfs/dbraw/zinc/79/02/55/635790255.db2.gz WRCUHDYTYCQZBS-PBHICJAKSA-N 1 0 304.434 2.383 10 0 DEAERO CCOc1ccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc1OCC ZINC000222586718 636361057 /nfs/dbraw/zinc/36/10/57/636361057.db2.gz IQQKGFHZDOXSPA-HNNXBMFYSA-N 1 0 318.417 2.308 10 0 DEAERO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)/C=C/c2ccc(F)cc2)C1 ZINC000178887826 636488843 /nfs/dbraw/zinc/48/88/43/636488843.db2.gz XEYXHNLHQXQJLQ-PLWJUESGSA-N 1 0 312.410 2.058 10 0 DEAERO C[C@H]([NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1C[C@H]1C ZINC000321904478 636765477 /nfs/dbraw/zinc/76/54/77/636765477.db2.gz OFCDPUYVCDYQAW-ILXRZTDVSA-N 1 0 311.470 2.173 10 0 DEAERO Cc1noc2ncc(C[N@H+](C)C[C@H]3CCn4ccnc4C3)cc12 ZINC000894779945 637207792 /nfs/dbraw/zinc/20/77/92/637207792.db2.gz SNOCRDQYWZBWEF-ZDUSSCGKSA-N 1 0 311.389 2.422 10 0 DEAERO C[C@@H]1CN(Cc2cc3ccccc3nc2Cl)CC[N@@H+]1CCO ZINC000187661735 637544070 /nfs/dbraw/zinc/54/40/70/637544070.db2.gz UHQNREWFEDQYBZ-CYBMUJFWSA-N 1 0 319.836 2.387 10 0 DEAERO COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H](C)C2CCCC2)C[C@@H]1C ZINC000179042462 637925232 /nfs/dbraw/zinc/92/52/32/637925232.db2.gz OJGNENBJZTVUOQ-ZNMIVQPWSA-N 1 0 311.470 2.316 10 0 DEAERO CC[NH+]1CCC(CCNS(=O)(=O)C2CCCCC2)CC1 ZINC000742314766 638058802 /nfs/dbraw/zinc/05/88/02/638058802.db2.gz RDHVSBHQMLVXJQ-UHFFFAOYSA-N 1 0 302.484 2.361 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Cl)nc(N(C)C)c2)C1 ZINC000742901787 638103780 /nfs/dbraw/zinc/10/37/80/638103780.db2.gz QEWRMEBRNNQYEA-ZDUSSCGKSA-N 1 0 324.856 2.357 10 0 DEAERO C[NH+](C)CCCCNC(=O)Cc1cc(-c2ccccc2)on1 ZINC000746260366 638327442 /nfs/dbraw/zinc/32/74/42/638327442.db2.gz XCIKFPSESNBJAL-UHFFFAOYSA-N 1 0 301.390 2.342 10 0 DEAERO C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747556851 638450300 /nfs/dbraw/zinc/45/03/00/638450300.db2.gz LDMVSLIOIDHULC-ZFWWWQNUSA-N 1 0 307.442 2.487 10 0 DEAERO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000747816182 638480672 /nfs/dbraw/zinc/48/06/72/638480672.db2.gz UUUPRFDYBYHUNF-ROUUACIJSA-N 1 0 314.429 2.352 10 0 DEAERO CCCCCCOCC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000748434733 638556171 /nfs/dbraw/zinc/55/61/71/638556171.db2.gz NMJSRXTZSWJVTF-OAHLLOKOSA-N 1 0 302.484 2.137 10 0 DEAERO CNC(=O)c1ccc(C[N@H+](C/C=C(/C)C(=O)OC)C2CC2)cc1 ZINC000748815746 638594452 /nfs/dbraw/zinc/59/44/52/638594452.db2.gz QCYQRWIGXMBPQE-RAXLEYEMSA-N 1 0 316.401 2.130 10 0 DEAERO COC(=O)/C(C)=C\C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000748815600 638595172 /nfs/dbraw/zinc/59/51/72/638595172.db2.gz CBHRQVOVPIZUPP-QXSWTLKVSA-N 1 0 303.402 2.478 10 0 DEAERO O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000750062900 638707742 /nfs/dbraw/zinc/70/77/42/638707742.db2.gz SQJKGBSXBSKTTC-VXGBXAGGSA-N 1 0 314.389 2.329 10 0 DEAERO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC23OCCO3)CC1 ZINC000806549611 645845142 /nfs/dbraw/zinc/84/51/42/645845142.db2.gz ZVOXJSPVTMCVTC-INIZCTEOSA-N 1 0 324.465 2.108 10 0 DEAERO CCNS(=O)(=O)CC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000226454069 646573840 /nfs/dbraw/zinc/57/38/40/646573840.db2.gz GPXSYVWYPPPZLL-UHFFFAOYSA-N 1 0 304.481 2.075 10 0 DEAERO C[NH+](C)C[C@@](C)(O)CNc1cc(C(F)(F)F)cc(Cl)n1 ZINC000228032582 646611714 /nfs/dbraw/zinc/61/17/14/646611714.db2.gz PPMVDKZJMZLACU-NSHDSACASA-N 1 0 311.735 2.478 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000062968141 646752101 /nfs/dbraw/zinc/75/21/01/646752101.db2.gz GMIVMNOYVNMXOD-KGLIPLIRSA-N 1 0 302.340 2.375 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000173365682 646767753 /nfs/dbraw/zinc/76/77/53/646767753.db2.gz LRFWCIPSAVOJCI-DLBZAZTESA-N 1 0 300.406 2.265 10 0 DEAERO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000232168647 646794345 /nfs/dbraw/zinc/79/43/45/646794345.db2.gz PDPUDQSTURUELG-AWEZNQCLSA-N 1 0 321.421 2.437 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000174788180 647345611 /nfs/dbraw/zinc/34/56/11/647345611.db2.gz PFHUPFFMRHUEJD-FUHWJXTLSA-N 1 0 314.433 2.341 10 0 DEAERO CC(C)c1nn(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(=S)n1C ZINC000153237378 647393465 /nfs/dbraw/zinc/39/34/65/647393465.db2.gz RSHQWMWKCLJPLU-CHWSQXEVSA-N 1 0 309.483 2.200 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1ccc(Cl)nc1 ZINC000228934323 647407124 /nfs/dbraw/zinc/40/71/24/647407124.db2.gz WZLJMKQYGROZGR-IXPVHAAZSA-N 1 0 309.797 2.206 10 0 DEAERO C[NH+](C)CCOC1CCN(C(=S)NCc2ccccc2)CC1 ZINC000732624280 647632323 /nfs/dbraw/zinc/63/23/23/647632323.db2.gz KJDYUROQVVYOOM-UHFFFAOYSA-N 1 0 321.490 2.104 10 0 DEAERO Cc1cc(=O)[nH]c(-c2ccc(NC(=O)CCCCC[NH3+])cc2)n1 ZINC000154747013 648084571 /nfs/dbraw/zinc/08/45/71/648084571.db2.gz DBYOILIAQZTJRW-UHFFFAOYSA-N 1 0 314.389 2.203 10 0 DEAERO C[N@H+](CCCNC(=O)C(F)(F)F)CCc1ccc(F)cc1 ZINC000154775845 648094276 /nfs/dbraw/zinc/09/42/76/648094276.db2.gz RFIVOWBDZSHZHB-UHFFFAOYSA-N 1 0 306.303 2.369 10 0 DEAERO CC[C@H]1CN(Cc2cnc(Cl)s2)CC[N@@H+]1C[C@@H](C)O ZINC000175431545 648347917 /nfs/dbraw/zinc/34/79/17/648347917.db2.gz QQEGSHZQLRCPGC-MNOVXSKESA-N 1 0 303.859 2.074 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000237877117 648439498 /nfs/dbraw/zinc/43/94/98/648439498.db2.gz XZNLHHBIPAWNJU-VXGBXAGGSA-N 1 0 301.390 2.035 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc3c(c1)CCO3)CC2 ZINC000180614962 648502530 /nfs/dbraw/zinc/50/25/30/648502530.db2.gz ZPPFCYWGBYACNO-IUODEOHRSA-N 1 0 312.417 2.441 10 0 DEAERO O[C@@H](C[NH2+]CCOc1ccc(Br)cc1)C1CC1 ZINC000071304623 649079393 /nfs/dbraw/zinc/07/93/93/649079393.db2.gz LWJKRESXHDWBII-ZDUSSCGKSA-N 1 0 300.196 2.188 10 0 DEAERO C[C@@H]([NH2+]CCCOC(=O)NC(N)=O)C12CC3CC(CC(C3)C1)C2 ZINC000183642217 649126353 /nfs/dbraw/zinc/12/63/53/649126353.db2.gz XPHFROVYNRSZRU-SFCYXTAJSA-N 1 0 323.437 2.376 10 0 DEAERO C[C@@](O)(C[N@@H+]1CCOCC2(CCOCC2)C1)c1ccccc1 ZINC000184113059 649235716 /nfs/dbraw/zinc/23/57/16/649235716.db2.gz HODNSPXBIHLVPC-QGZVFWFLSA-N 1 0 305.418 2.023 10 0 DEAERO O=C1CCCN1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185267781 649485629 /nfs/dbraw/zinc/48/56/29/649485629.db2.gz ZURPPJAWZXFYNZ-UHFFFAOYSA-N 1 0 311.769 2.350 10 0 DEAERO CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000381356441 685401171 /nfs/dbraw/zinc/40/11/71/685401171.db2.gz DGSNGTVPXYUAHH-XXFAHNHDSA-N 1 0 305.241 2.263 10 0 DEAERO C[C@@H](CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[S@@](C)=O ZINC000390746275 685441822 /nfs/dbraw/zinc/44/18/22/685441822.db2.gz QDFOYDQWUWYBCJ-GYQJYAJYSA-N 1 0 308.491 2.396 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3[NH2+]CC1(C)COC1 ZINC000392824936 685450616 /nfs/dbraw/zinc/45/06/16/685450616.db2.gz VGDNYLVNCVNKOV-LXFSFDBISA-N 1 0 322.449 2.256 10 0 DEAERO Cc1csc(SCC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000023957652 683866228 /nfs/dbraw/zinc/86/62/28/683866228.db2.gz GGQUYMBJLGTQEJ-UHFFFAOYSA-N 1 0 311.476 2.287 10 0 DEAERO C[C@H](c1cccc(F)c1)N1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000091689712 684037201 /nfs/dbraw/zinc/03/72/01/684037201.db2.gz HNVDRIQGOJFFHI-HUUCEWRRSA-N 1 0 320.408 2.458 10 0 DEAERO C[C@H]1C[C@@H](N(C)CC(=O)Nc2cccnc2Cl)CC[N@@H+]1C ZINC000123809721 684128209 /nfs/dbraw/zinc/12/82/09/684128209.db2.gz FPWUASONHHSHMP-RYUDHWBXSA-N 1 0 310.829 2.088 10 0 DEAERO Cn1nccc1CCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000125621976 684147191 /nfs/dbraw/zinc/14/71/91/684147191.db2.gz VLHWVWSTPLNNGU-QGZVFWFLSA-N 1 0 313.401 2.170 10 0 DEAERO CCN1CCCC[C@H]1C(=O)Oc1cccc(CC(=O)OC)c1 ZINC000125709959 684147846 /nfs/dbraw/zinc/14/78/46/684147846.db2.gz GTBGNVXYTXYGFJ-HNNXBMFYSA-N 1 0 305.374 2.182 10 0 DEAERO CC1(C)OCc2cc(C[NH2+][C@H]3CCC[C@H](C(N)=O)C3)ccc2O1 ZINC000187406673 684337060 /nfs/dbraw/zinc/33/70/60/684337060.db2.gz FYWJPZGOCONWLI-ZFWWWQNUSA-N 1 0 318.417 2.465 10 0 DEAERO CC[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Cl)s1 ZINC000187819386 684343795 /nfs/dbraw/zinc/34/37/95/684343795.db2.gz QJFKISVEGLFDNT-JTQLQIEISA-N 1 0 322.883 2.334 10 0 DEAERO CC[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Cl)s1 ZINC000187819404 684344064 /nfs/dbraw/zinc/34/40/64/684344064.db2.gz QJFKISVEGLFDNT-SNVBAGLBSA-N 1 0 322.883 2.334 10 0 DEAERO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@@H]3CCCOC3)C2=O)c(C)c1 ZINC000189457648 684380738 /nfs/dbraw/zinc/38/07/38/684380738.db2.gz UCWNUXRAFUMXTG-HZPDHXFCSA-N 1 0 302.418 2.486 10 0 DEAERO CCCCOC(=O)CC[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190670888 684411511 /nfs/dbraw/zinc/41/15/11/684411511.db2.gz UDOCBIMZNDTGPP-UHFFFAOYSA-N 1 0 308.426 2.280 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]CCC1OCCO1 ZINC000191917271 684438634 /nfs/dbraw/zinc/43/86/34/684438634.db2.gz UYMIVIAPBVYZOS-OLZOCXBDSA-N 1 0 314.426 2.032 10 0 DEAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192059998 684441263 /nfs/dbraw/zinc/44/12/63/684441263.db2.gz ILAXHIZZXSOEIN-OLZOCXBDSA-N 1 0 309.406 2.136 10 0 DEAERO CC(C)Nc1ncnc2c1ncn2C[N@@H+]1CCSC[C@@H](C)C1 ZINC000192180159 684443497 /nfs/dbraw/zinc/44/34/97/684443497.db2.gz 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Cc1cc(C)n(CC[N@H+]2CCC[C@H](c3nnc(C)o3)[C@@H]2C)n1 ZINC000886077625 691998617 /nfs/dbraw/zinc/99/86/17/691998617.db2.gz AOMOKSLYZAQOGB-ZFWWWQNUSA-N 1 0 303.410 2.459 10 0 DEAERO Cn1cc([C@H]2OCC[C@@H]2C[NH2+]CCOc2ccccc2F)cn1 ZINC000886097151 692002451 /nfs/dbraw/zinc/00/24/51/692002451.db2.gz WYVNLCZSUALWPI-DYVFJYSZSA-N 1 0 319.380 2.305 10 0 DEAERO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cnn[nH]1 ZINC000398356020 790267265 /nfs/dbraw/zinc/26/72/65/790267265.db2.gz LKFKVHRKCDYUII-YPMHNXCESA-N 1 0 309.414 2.072 10 0 DEAERO CC[C@H]([NH2+]Cc1c(Br)cnn1C)[C@H]1CCCOC1 ZINC000724007670 777219558 /nfs/dbraw/zinc/21/95/58/777219558.db2.gz KAMASRYQHHXXRP-JQWIXIFHSA-N 1 0 316.243 2.477 10 0 DEAERO C[C@@](O)(C[NH2+]CCC[C@H]1CCOC1)C(F)(F)C(F)(F)F ZINC000724041284 777227771 /nfs/dbraw/zinc/22/77/71/777227771.db2.gz NCTNPBOSIISTGC-VHSXEESVSA-N 1 0 305.287 2.341 10 0 DEAERO FC(F)c1cc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)ncn1 ZINC000724635834 777417089 /nfs/dbraw/zinc/41/70/89/777417089.db2.gz 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787326889 /nfs/dbraw/zinc/32/68/89/787326889.db2.gz FBXYIASCGODGTQ-MOTUXRJWSA-N 1 0 323.481 2.457 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c1C ZINC000722564572 787332448 /nfs/dbraw/zinc/33/24/48/787332448.db2.gz FBLHAMFZLWKAON-NEPJUHHUSA-N 1 0 302.465 2.079 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)c1C ZINC000722594854 787335027 /nfs/dbraw/zinc/33/50/27/787335027.db2.gz DLBBMEPWHAWRHU-CYBMUJFWSA-N 1 0 316.492 2.436 10 0 DEAERO O=C(C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)NCc1ccccc1 ZINC000723619619 787344712 /nfs/dbraw/zinc/34/47/12/787344712.db2.gz MPPWHPFNTGWCKK-IXDOHACOSA-N 1 0 302.418 2.098 10 0 DEAERO C[C@](O)(C[NH2+]C[C@H]1CCC(C)(C)O1)C(F)(F)C(F)(F)F ZINC000724079676 787348551 /nfs/dbraw/zinc/34/85/51/787348551.db2.gz SABZCQBKGQJIDC-SCZZXKLOSA-N 1 0 305.287 2.482 10 0 DEAERO COC[C@@]1(C)CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724074658 787348572 /nfs/dbraw/zinc/34/85/72/787348572.db2.gz QJRBRTNELZIKFT-VHSXEESVSA-N 1 0 305.287 2.293 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+][C@H](CO)C2CCC2)C1 ZINC000724086039 787349404 /nfs/dbraw/zinc/34/94/04/787349404.db2.gz WUOXCXZKYKDTAQ-BPLDGKMQSA-N 1 0 312.454 2.430 10 0 DEAERO CCO[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC000724316408 787350869 /nfs/dbraw/zinc/35/08/69/787350869.db2.gz IQEKWGZMCIQIBO-ZWBVZUSMSA-N 1 0 301.452 2.032 10 0 DEAERO COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397452442 790186174 /nfs/dbraw/zinc/18/61/74/790186174.db2.gz VBPPVCKYOTZLKI-OLZOCXBDSA-N 1 0 316.442 2.025 10 0 DEAERO CCC(CC)(CO)C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000397621254 790206118 /nfs/dbraw/zinc/20/61/18/790206118.db2.gz GRVNGNFERMVPEI-UHFFFAOYSA-N 1 0 300.443 2.242 10 0 DEAERO Cc1ccc(CC[NH2+]Cc2cn(C)nc2Br)nc1 ZINC000712427448 792187489 /nfs/dbraw/zinc/18/74/89/792187489.db2.gz YFOXFGVEVWCDFX-UHFFFAOYSA-N 1 0 309.211 2.218 10 0 DEAERO Cn1cc(CNCCC[NH+]2CCCCC2)c(Br)n1 ZINC000712462022 792188936 /nfs/dbraw/zinc/18/89/36/792188936.db2.gz JFERIUTTWBQWHY-UHFFFAOYSA-N 1 0 315.259 2.148 10 0 DEAERO C[C@H](CNCc1cn(C)nc1Br)[NH+]1CCCCC1 ZINC000712462983 792189180 /nfs/dbraw/zinc/18/91/80/792189180.db2.gz OOSIDRYAUYRUOZ-LLVKDONJSA-N 1 0 315.259 2.147 10 0 DEAERO Cc1ncsc1CC[NH2+]Cc1cn(C)nc1Br ZINC000712490590 792190098 /nfs/dbraw/zinc/19/00/98/792190098.db2.gz HUYMYXYQEXMNQY-UHFFFAOYSA-N 1 0 315.240 2.280 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH2+]CCC1(C)C ZINC000712516531 792191831 /nfs/dbraw/zinc/19/18/31/792191831.db2.gz ZYJXNGFZRYZRTQ-UHFFFAOYSA-N 1 0 316.854 2.411 10 0 DEAERO CCN1CC[C@@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000712593922 792191852 /nfs/dbraw/zinc/19/18/52/792191852.db2.gz GFOJSHTWOBQJOU-HUUCEWRRSA-N 1 0 311.470 2.317 10 0 DEAERO CC(C)OC[C@@H](O)C[NH2+]CCc1sccc1Br ZINC000713011915 792212162 /nfs/dbraw/zinc/21/21/62/792212162.db2.gz APGLVRQFCSYTCF-JTQLQIEISA-N 1 0 322.268 2.429 10 0 DEAERO Brc1c[nH]c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000713573344 792237204 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C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C)c1cn(C)nn1 ZINC000715835253 792526574 /nfs/dbraw/zinc/52/65/74/792526574.db2.gz GZYJGQSMXXOYIS-AVGNSLFASA-N 1 0 323.441 2.111 10 0 DEAERO CCCn1cc([C@@H](C)NCC[N@H+](C)Cc2ccccc2)nn1 ZINC000715881230 792530623 /nfs/dbraw/zinc/53/06/23/792530623.db2.gz IVRBIJGUUACPGF-OAHLLOKOSA-N 1 0 301.438 2.471 10 0 DEAERO COC[C@@H]([NH3+])Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000716415513 792957729 /nfs/dbraw/zinc/95/77/29/792957729.db2.gz FUEYWDXGDWGHCB-QMMMGPOBSA-N 1 0 301.177 2.090 10 0 DEAERO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000716560024 792972160 /nfs/dbraw/zinc/97/21/60/792972160.db2.gz WMPZQHKSVYSYAQ-JTQLQIEISA-N 1 0 302.827 2.006 10 0 DEAERO CC(C)(C)OC(=O)NC1CCC([NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000716753033 793004616 /nfs/dbraw/zinc/00/46/16/793004616.db2.gz NCPNMCAHORYIEW-HTAVTVPLSA-N 1 0 322.396 2.428 10 0 DEAERO [NH3+][C@@H]1CN(c2nnc(C(F)(F)F)s2)CC[C@@H]1C(F)(F)F ZINC000717095350 799195091 /nfs/dbraw/zinc/19/50/91/799195091.db2.gz RLKHYBYTOHNAQL-CRCLSJGQSA-N 1 0 320.262 2.273 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000717648452 799427781 /nfs/dbraw/zinc/42/77/81/799427781.db2.gz GYYMAAAWYYIVFI-ZIAGYGMSSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CC3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401693671 801842003 /nfs/dbraw/zinc/84/20/03/801842003.db2.gz ISDNNIYZUITXCX-ILXRZTDVSA-N 1 0 323.481 2.458 10 0 DEAERO C[C@]1(CNc2nccnc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000402805848 801910173 /nfs/dbraw/zinc/91/01/73/801910173.db2.gz BWMIOXXGNIXZJD-QGZVFWFLSA-N 1 0 300.381 2.362 10 0 DEAERO Cn1ccnc1C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000404629090 802025965 /nfs/dbraw/zinc/02/59/65/802025965.db2.gz FDXJLZWUWXYEHK-STQMWFEESA-N 1 0 320.437 2.346 10 0 DEAERO CCN1CC[NH+](CCCCCNC(=O)Cc2ccccc2)CC1 ZINC000041535577 1078282152 /nfs/dbraw/zinc/28/21/52/1078282152.db2.gz ISEYXOJSZZFVHP-UHFFFAOYSA-N 1 0 317.477 2.153 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)NCc1ccnc(OCC2CC2)c1 ZINC000067480058 1079892409 /nfs/dbraw/zinc/89/24/09/1079892409.db2.gz DOYVRBJCEJHOGY-UHFFFAOYSA-N 1 0 320.437 2.010 10 0 DEAERO CC[NH+](CC)CCNC(=O)NCc1ccnc(OCC2CC2)c1 ZINC000067581206 1079896600 /nfs/dbraw/zinc/89/66/00/1079896600.db2.gz XLZRYGMHVHGHAJ-UHFFFAOYSA-N 1 0 320.437 2.011 10 0 DEAERO c1ncn(-c2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)n1 ZINC000069709965 1079970267 /nfs/dbraw/zinc/97/02/67/1079970267.db2.gz QCHIPUNOLDCMOR-UHFFFAOYSA-N 1 0 314.389 2.043 10 0 DEAERO CCCN(CC[NH2+][C@H]1CCC1(OC)OC)C(=O)OC(C)(C)C ZINC000710946359 1081177752 /nfs/dbraw/zinc/17/77/52/1081177752.db2.gz JGICLJAWSHSHPB-ZDUSSCGKSA-N 1 0 316.442 2.375 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)C12CCC2 ZINC000720992270 1085280492 /nfs/dbraw/zinc/28/04/92/1085280492.db2.gz LPVWXVYOQAWOFC-RQJABVFESA-N 1 0 310.438 2.183 10 0 DEAERO [NH3+]C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1C(F)(F)F ZINC000700806835 1086334324 /nfs/dbraw/zinc/33/43/24/1086334324.db2.gz GXHMLXMKBJTTJG-SFYZADRCSA-N 1 0 300.271 2.017 10 0 DEAERO O=S1(=O)CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000703289470 1086492812 /nfs/dbraw/zinc/49/28/12/1086492812.db2.gz BQAXTHLCZZHZQE-UHFFFAOYSA-N 1 0 313.366 2.434 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1nccnc1Cl ZINC000703358571 1086493850 /nfs/dbraw/zinc/49/38/50/1086493850.db2.gz QGBBHROPTRRNJU-LBPRGKRZSA-N 1 0 318.808 2.380 10 0 DEAERO Cc1cc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)ccn1 ZINC000703502389 1086499954 /nfs/dbraw/zinc/49/99/54/1086499954.db2.gz IAPLMSDHZPZWLL-FICVDOATSA-N 1 0 303.406 2.345 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000705067886 1086601529 /nfs/dbraw/zinc/60/15/29/1086601529.db2.gz DNCNJTLDYPTITN-CXAGYDPISA-N 1 0 310.438 2.281 10 0 DEAERO Cc1nc(-c2noc([C@H](N)C[N@@H+](C)Cc3ccccc3)n2)co1 ZINC000705253247 1086610124 /nfs/dbraw/zinc/61/01/24/1086610124.db2.gz DPSOBLPVKKSRGS-CYBMUJFWSA-N 1 0 313.361 2.165 10 0 DEAERO CN(CCOCC[NH2+][C@H]1COC(C)(C)C1)C(=O)OC(C)(C)C ZINC000705905514 1086627498 /nfs/dbraw/zinc/62/74/98/1086627498.db2.gz YMTPLTYHMNUBSJ-CYBMUJFWSA-N 1 0 316.442 2.027 10 0 DEAERO COCC(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705933915 1086627961 /nfs/dbraw/zinc/62/79/61/1086627961.db2.gz MWONRWRLSQHIRD-ROUUACIJSA-N 1 0 302.418 2.003 10 0 DEAERO CSC1CC([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)C1 ZINC000706888285 1086655211 /nfs/dbraw/zinc/65/52/11/1086655211.db2.gz ZWDVRQAHLHHVGX-UHFFFAOYSA-N 1 0 318.483 2.354 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)C12CCC2 ZINC000707495133 1086674513 /nfs/dbraw/zinc/67/45/13/1086674513.db2.gz RVCBUBSWRYBFMA-RQJABVFESA-N 1 0 310.438 2.183 10 0 DEAERO CS(=O)(=O)CC[NH2+][C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000709636162 1086684500 /nfs/dbraw/zinc/68/45/00/1086684500.db2.gz LBFIQSZUNBJUPR-QGZVFWFLSA-N 1 0 324.490 2.065 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC000709819212 1086684844 /nfs/dbraw/zinc/68/48/44/1086684844.db2.gz GLSQJUBZVOVVFQ-WDEREUQCSA-N 1 0 306.353 2.010 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000710968890 1086692144 /nfs/dbraw/zinc/69/21/44/1086692144.db2.gz VJZYOOFKUQMKLQ-SJORKVTESA-N 1 0 304.434 2.392 10 0 DEAERO C[C@@H]([NH2+]CCCCF)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711082580 1086693401 /nfs/dbraw/zinc/69/34/01/1086693401.db2.gz QVVQDWLAFGHKEP-OLZOCXBDSA-N 1 0 304.406 2.350 10 0 DEAERO COc1ncccc1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711426592 1087101139 /nfs/dbraw/zinc/10/11/39/1087101139.db2.gz UFUGVODJOAQYEX-XBXGTLAGSA-N 1 0 321.421 2.483 10 0 DEAERO CC(C)C[C@@H](O)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711492600 1087140162 /nfs/dbraw/zinc/14/01/62/1087140162.db2.gz RKRWLCKQBZDLEF-HZSPNIEDSA-N 1 0 300.443 2.286 10 0 DEAERO CC(C)C[C@H](O)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711492602 1087140548 /nfs/dbraw/zinc/14/05/48/1087140548.db2.gz RKRWLCKQBZDLEF-MJBXVCDLSA-N 1 0 300.443 2.286 10 0 DEAERO CC(C)(C)OC(=O)N1CC([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000711840634 1087206237 /nfs/dbraw/zinc/20/62/37/1087206237.db2.gz OGSICFFWJSCUGA-UKRRQHHQSA-N 1 0 310.438 2.401 10 0 DEAERO [NH3+]Cc1nc(Cc2nc([C@@H]3CCC(F)(F)C3)no2)cs1 ZINC000719008129 1088759498 /nfs/dbraw/zinc/75/94/98/1088759498.db2.gz YMYBIILYBXHCLD-SSDOTTSWSA-N 1 0 300.334 2.478 10 0 DEAERO Cc1cc(-c2nnc(C[N@@H+]3CC[C@@H](C4OCCO4)C3)o2)c(C)o1 ZINC000719020803 1088764567 /nfs/dbraw/zinc/76/45/67/1088764567.db2.gz FIMJBEVRNYMEOK-GFCCVEGCSA-N 1 0 319.361 2.141 10 0 DEAERO [NH3+]Cc1nc(CC(=O)N(Cc2ccccc2)C2CC2)cs1 ZINC000719056163 1088790342 /nfs/dbraw/zinc/79/03/42/1088790342.db2.gz YVFDXRMRTCCAGJ-UHFFFAOYSA-N 1 0 301.415 2.336 10 0 DEAERO COC(=O)c1csc(C[NH2+]C[C@@]2(OC)CCSC2)c1 ZINC000719264361 1088914749 /nfs/dbraw/zinc/91/47/49/1088914749.db2.gz AZIBKLQAEGUDCB-ZDUSSCGKSA-N 1 0 301.433 2.146 10 0 DEAERO Cc1nc(C[NH2+]C[C@H]2CCC[C@@H]2O)sc1Br ZINC000719274430 1088918468 /nfs/dbraw/zinc/91/84/68/1088918468.db2.gz OSFMEQHUGWPMPU-BDAKNGLRSA-N 1 0 305.241 2.465 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)CCN1C ZINC000719570392 1089305142 /nfs/dbraw/zinc/30/51/42/1089305142.db2.gz OFKGCQFQHZLBLM-DJIMGWMZSA-N 1 0 317.433 2.080 10 0 DEAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000179286533 1090496297 /nfs/dbraw/zinc/49/62/97/1090496297.db2.gz RPTONQJAMOOVIQ-LSDHHAIUSA-N 1 0 301.390 2.253 10 0 DEAERO [NH3+][C@@H]1CN(C(=O)c2cccnc2Cl)CC[C@H]1C(F)(F)F ZINC000717056622 1092518418 /nfs/dbraw/zinc/51/84/18/1092518418.db2.gz BPASZEMAISBQJI-RKDXNWHRSA-N 1 0 307.703 2.087 10 0 DEAERO Cc1nc2ccccc2nc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000174684945 282089134 /nfs/dbraw/zinc/08/91/34/282089134.db2.gz DMMJVEMJVXBSQL-CQSZACIVSA-N 1 0 300.406 2.197 10 0 DEAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000408229357 282103862 /nfs/dbraw/zinc/10/38/62/282103862.db2.gz QKGGSKNNJWKWSL-CQSZACIVSA-N 1 0 319.453 2.050 10 0 DEAERO CC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)Sc1nnnn1C ZINC000081843738 192330101 /nfs/dbraw/zinc/33/01/01/192330101.db2.gz NSSTYHNPVLNVFN-GWCFXTLKSA-N 1 0 307.423 2.050 10 0 DEAERO CC[NH2+][C@@H]1CCOC[C@H]1Sc1nc2cc(OC)ccc2[nH]1 ZINC000081866013 192333220 /nfs/dbraw/zinc/33/32/20/192333220.db2.gz UOMLQDGHYMJAKF-TZMCWYRMSA-N 1 0 307.419 2.431 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1Sc1nnc(C)s1)OCCO2 ZINC000081873472 192333509 /nfs/dbraw/zinc/33/35/09/192333509.db2.gz JEUJHMGAVPTWCB-QWRGUYRKSA-N 1 0 315.464 2.212 10 0 DEAERO CCCn1c(=O)[nH]nc1S[C@@H](C)[C@@H]([NH2+]C)c1ccccc1 ZINC000081879316 192333740 /nfs/dbraw/zinc/33/37/40/192333740.db2.gz YIOWRYRHWVZRAE-WCQYABFASA-N 1 0 306.435 2.423 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1Sc1nnc(C)n1C ZINC000081886244 192334283 /nfs/dbraw/zinc/33/42/83/192334283.db2.gz KQLGVTNEXYQEQY-ZIAGYGMSSA-N 1 0 304.419 2.327 10 0 DEAERO Cc1ccc(C)c([C@@H]([NH3+])CSc2n[nH]c(=O)n2C2CC2)c1 ZINC000081880211 192334550 /nfs/dbraw/zinc/33/45/50/192334550.db2.gz HOPBCMIMCUQIHW-ZDUSSCGKSA-N 1 0 304.419 2.315 10 0 DEAERO C[NH2+][C@H](CSc1n[nH]c(=O)n1C)c1ccc(C(C)C)cc1 ZINC000081880633 192334633 /nfs/dbraw/zinc/33/46/33/192334633.db2.gz XWGQWKBBCOWYRL-CYBMUJFWSA-N 1 0 306.435 2.285 10 0 DEAERO CC[NH2+][C@@H](c1c(Br)cnn1C)[C@@H](OC)C1CC1 ZINC000162464881 197568239 /nfs/dbraw/zinc/56/82/39/197568239.db2.gz YYIKABLEIDQXFT-JQWIXIFHSA-N 1 0 302.216 2.258 10 0 DEAERO [NH3+]Cc1ccc(CN2C(=O)NC3(CCCC3)C2=O)c(Cl)c1 ZINC000162489584 197570445 /nfs/dbraw/zinc/57/04/45/197570445.db2.gz VAJYRQNWJZXAOP-UHFFFAOYSA-N 1 0 307.781 2.163 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)CSCC[NH3+] ZINC000096757443 185386374 /nfs/dbraw/zinc/38/63/74/185386374.db2.gz AGTDXUTYHSBHAN-UHFFFAOYSA-N 1 0 316.448 2.118 10 0 DEAERO COc1cccc([C@H]([NH3+])CS(=O)(=O)Cc2ccccc2)c1 ZINC000081923787 192340421 /nfs/dbraw/zinc/34/04/21/192340421.db2.gz WKPZMPSPLQHULA-MRXNPFEDSA-N 1 0 305.399 2.310 10 0 DEAERO CC[C@H](CS(=O)(=O)c1ccc(Br)cc1)[NH2+]C ZINC000081933847 192340592 /nfs/dbraw/zinc/34/05/92/192340592.db2.gz LWLUIHJBRCSLMB-SNVBAGLBSA-N 1 0 306.225 2.221 10 0 DEAERO Cc1ccc(CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)cc1 ZINC000096780303 185387307 /nfs/dbraw/zinc/38/73/07/185387307.db2.gz HXDFQZIGSWUQAS-UHFFFAOYSA-N 1 0 324.428 2.072 10 0 DEAERO CCC[NH2+]CCCCS(=O)(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000163504167 197635334 /nfs/dbraw/zinc/63/53/34/197635334.db2.gz OGXQCGLXRAMXIM-AWEZNQCLSA-N 1 0 304.500 2.464 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N2CC[C@H](C(C)C)C2)s1 ZINC000163552045 197637780 /nfs/dbraw/zinc/63/77/80/197637780.db2.gz NZRZIKUBOVGNNO-LBPRGKRZSA-N 1 0 316.492 2.177 10 0 DEAERO CC[NH2+]Cc1ccc(CS(=O)(=O)N2CC[C@H](CC)C2)cc1 ZINC000163604823 197640952 /nfs/dbraw/zinc/64/09/52/197640952.db2.gz LFSUVXRDINTQFM-AWEZNQCLSA-N 1 0 310.463 2.358 10 0 DEAERO CCC[C@@H]([NH3+])CS(=O)(=O)c1ccc(Br)cc1 ZINC000081933210 192341608 /nfs/dbraw/zinc/34/16/08/192341608.db2.gz IXIALAKJZMWCQA-SNVBAGLBSA-N 1 0 306.225 2.350 10 0 DEAERO CC[NH2+][C@@H](CC)[C@H](C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935452 192342288 /nfs/dbraw/zinc/34/22/88/192342288.db2.gz JXJKRZJZAPGQPN-AAEUAGOBSA-N 1 0 313.419 2.008 10 0 DEAERO c1ccc(-c2nnc(N3CC[NH+](C4CC4)CC3)n2CC2CC2)nc1 ZINC000612552282 361859119 /nfs/dbraw/zinc/85/91/19/361859119.db2.gz NMHHPTOEIOVYNP-UHFFFAOYSA-N 1 0 324.432 2.035 10 0 DEAERO CCC[C@@H](CCO)CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000152431318 282144672 /nfs/dbraw/zinc/14/46/72/282144672.db2.gz TYMJSXQPRPIRTQ-JKSUJKDBSA-N 1 0 313.486 2.205 10 0 DEAERO COC1(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCC1 ZINC000181287291 199277117 /nfs/dbraw/zinc/27/71/17/199277117.db2.gz YUQYQBSTRFPRIM-UHFFFAOYSA-N 1 0 323.412 2.256 10 0 DEAERO CCC(C)(C)[C@H]1CC[C@H]([NH2+]C)[C@H](S(=O)(=O)CCOC)C1 ZINC000081944661 192344970 /nfs/dbraw/zinc/34/49/70/192344970.db2.gz IIPPEUPDDFSJHX-MELADBBJSA-N 1 0 305.484 2.241 10 0 DEAERO C[NH+](C)C1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC000078992638 185142343 /nfs/dbraw/zinc/14/23/43/185142343.db2.gz UGRKVKSSHYFUDU-CYBMUJFWSA-N 1 0 322.836 2.444 10 0 DEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)N(CCO)CC(F)(F)F ZINC000079291423 185163559 /nfs/dbraw/zinc/16/35/59/185163559.db2.gz XHWDSNOOJNIRDV-LLVKDONJSA-N 1 0 312.376 2.161 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)CC1 ZINC000079308625 185164189 /nfs/dbraw/zinc/16/41/89/185164189.db2.gz RZIDPSFJKPJDMS-CQSZACIVSA-N 1 0 310.463 2.487 10 0 DEAERO Cc1nn(C)c(Sc2ncccc2Br)c1C[NH3+] ZINC000079445532 185172046 /nfs/dbraw/zinc/17/20/46/185172046.db2.gz ORMDPYCGMPLGTA-UHFFFAOYSA-N 1 0 313.224 2.496 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)c2ccc(CC[NH3+])s2)CC1 ZINC000079358194 185166913 /nfs/dbraw/zinc/16/69/13/185166913.db2.gz DRQQZUHAXYDALV-GFCCVEGCSA-N 1 0 316.492 2.450 10 0 DEAERO CC(C)(C)c1nc(CS(C)(=O)=O)sc1C[NH2+]C1CC1 ZINC000082439819 185182896 /nfs/dbraw/zinc/18/28/96/185182896.db2.gz HTGSCSYCLCOBQW-UHFFFAOYSA-N 1 0 302.465 2.237 10 0 DEAERO [NH3+][C@@H]1CC[C@H](S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000082820018 185208375 /nfs/dbraw/zinc/20/83/75/185208375.db2.gz ODRLMJGWHVIEKH-KOLCDFICSA-N 1 0 304.209 2.103 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccc(Br)s1 ZINC000082921081 185209554 /nfs/dbraw/zinc/20/95/54/185209554.db2.gz MNJDQEPFPCQQIJ-BDAKNGLRSA-N 1 0 303.225 2.254 10 0 DEAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000087404091 185223823 /nfs/dbraw/zinc/22/38/23/185223823.db2.gz GQWXYPNCWCUVKQ-CYBMUJFWSA-N 1 0 314.451 2.188 10 0 DEAERO Cn1cc([C@H](C[NH3+])Oc2ccc(Br)c(F)c2)cn1 ZINC000087430492 185224595 /nfs/dbraw/zinc/22/45/95/185224595.db2.gz CTVATAIWIHWOKD-LBPRGKRZSA-N 1 0 314.158 2.401 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000087455614 185225588 /nfs/dbraw/zinc/22/55/88/185225588.db2.gz GSRVJVRKNGGXCU-LLVKDONJSA-N 1 0 304.419 2.265 10 0 DEAERO Cc1nccc(N2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)CC2)n1 ZINC000450747787 282187041 /nfs/dbraw/zinc/18/70/41/282187041.db2.gz UVYFSQXRBNUSPH-KRWDZBQOSA-N 1 0 317.481 2.170 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000087517700 185227446 /nfs/dbraw/zinc/22/74/46/185227446.db2.gz OKFQGSWQIUFYOC-SNVBAGLBSA-N 1 0 307.785 2.234 10 0 DEAERO [NH3+]C1CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000087590194 185229019 /nfs/dbraw/zinc/22/90/19/185229019.db2.gz OUEVLGHZMAUFMM-UHFFFAOYSA-N 1 0 308.596 2.228 10 0 DEAERO [NH3+][C@H]1CC[C@@](O)(Cc2ccc(I)cc2)C1 ZINC000087653944 185229802 /nfs/dbraw/zinc/22/98/02/185229802.db2.gz JUGMKMLNCNPMMV-NWDGAFQWSA-N 1 0 317.170 2.076 10 0 DEAERO CCOC1([C@@H]([NH3+])Cc2c(Cl)c(CC)nn2C)CCOCC1 ZINC000165609425 197678897 /nfs/dbraw/zinc/67/88/97/197678897.db2.gz DPYZKAYABMUHCG-ZDUSSCGKSA-N 1 0 315.845 2.091 10 0 DEAERO NNc1nc(N2CCC[C@@H]3CCC[C@@H]32)c(Br)c[nH+]1 ZINC000087886469 185234827 /nfs/dbraw/zinc/23/48/27/185234827.db2.gz OFORSOVCHJCPDU-WPRPVWTQSA-N 1 0 312.215 2.294 10 0 DEAERO CCn1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1=O ZINC000417273813 529542793 /nfs/dbraw/zinc/54/27/93/529542793.db2.gz SZFJQTIMUWCNIW-UHFFFAOYSA-N 1 0 320.437 2.299 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccccc2I)CCC1 ZINC000088050200 185238026 /nfs/dbraw/zinc/23/80/26/185238026.db2.gz QXALLZJLPUYSQQ-UHFFFAOYSA-N 1 0 316.142 2.111 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@@H]1CCOc2ccccc21 ZINC000088020253 185238053 /nfs/dbraw/zinc/23/80/53/185238053.db2.gz XMWGJULCVIIJOA-HIFRSBDPSA-N 1 0 311.447 2.356 10 0 DEAERO COCCC[C@H]([NH3+])CNCc1cc(Br)cs1 ZINC000088006026 185238064 /nfs/dbraw/zinc/23/80/64/185238064.db2.gz DBLOIDVHMZHPTK-JTQLQIEISA-N 1 0 307.257 2.354 10 0 DEAERO COc1ccc(Br)c(C[S@](=O)[C@H](C)C[NH3+])c1 ZINC000088067992 185238734 /nfs/dbraw/zinc/23/87/34/185238734.db2.gz BNGRJNDYQQMLHU-VPTHRUTESA-N 1 0 306.225 2.054 10 0 DEAERO CC[C@H]([NH3+])CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000088074791 185238929 /nfs/dbraw/zinc/23/89/29/185238929.db2.gz ZMKHRUIOSOXAEW-NSHDSACASA-N 1 0 306.225 2.101 10 0 DEAERO C[C@H](CC[NH3+])S(=O)(=O)Cc1ccc(Br)s1 ZINC000088088266 185239312 /nfs/dbraw/zinc/23/93/12/185239312.db2.gz WUSQCDJGOBCCSE-SSDOTTSWSA-N 1 0 312.254 2.163 10 0 DEAERO COc1ccc(CSc2nnc3ccccn32)cc1C[NH3+] ZINC000087827729 185232505 /nfs/dbraw/zinc/23/25/05/185232505.db2.gz QECFRMHLPNDQEW-UHFFFAOYSA-N 1 0 300.387 2.489 10 0 DEAERO Nc1nc2ccc(CN3CC[NH+](CC4CC4)CC3)cc2s1 ZINC000087848059 185233484 /nfs/dbraw/zinc/23/34/84/185233484.db2.gz KBNJFGXCYOJWJY-UHFFFAOYSA-N 1 0 302.447 2.406 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2nc(N)sc2c1 ZINC000087847540 185233494 /nfs/dbraw/zinc/23/34/94/185233494.db2.gz UNJRIGRTWZSXSN-NSHDSACASA-N 1 0 304.419 2.093 10 0 DEAERO COC(=O)c1sc(OC[C@H]2CCCC[N@@H+]2C)nc1Cl ZINC000088165559 185240813 /nfs/dbraw/zinc/24/08/13/185240813.db2.gz FAAPORMNDRVDQQ-MRVPVSSYSA-N 1 0 304.799 2.446 10 0 DEAERO c1ncn([C@@H]2CCCN(Cc3nc4cccnc4s3)C2)n1 ZINC000328885323 231376325 /nfs/dbraw/zinc/37/63/25/231376325.db2.gz OHKKRIATKAYZLZ-LLVKDONJSA-N 1 0 300.391 2.120 10 0 DEAERO CN(CCc1ccccc1)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000088204048 185242015 /nfs/dbraw/zinc/24/20/15/185242015.db2.gz BUSQYVGXBDTVQM-MRXNPFEDSA-N 1 0 310.463 2.023 10 0 DEAERO CCc1cnc(CCNC(=O)NC[C@H]2CCC[N@H+]2CC)s1 ZINC000175365209 282194862 /nfs/dbraw/zinc/19/48/62/282194862.db2.gz NDPOWNFBYJAGDX-GFCCVEGCSA-N 1 0 310.467 2.032 10 0 DEAERO CC(C)C[C@H](C[NH3+])Cc1nc2cc(S(C)(=O)=O)ccc2[nH]1 ZINC000088275241 185244693 /nfs/dbraw/zinc/24/46/93/185244693.db2.gz QAASQQDVBLBGFQ-NSHDSACASA-N 1 0 309.435 2.130 10 0 DEAERO CCCCc1nc(Cl)c(C[NH2+]CCC(=O)NCCC)[nH]1 ZINC000088399163 185248358 /nfs/dbraw/zinc/24/83/58/185248358.db2.gz DLLUTYAJAVBMOY-UHFFFAOYSA-N 1 0 300.834 2.412 10 0 DEAERO Nc1cc(F)cc(SC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000088398606 185248400 /nfs/dbraw/zinc/24/84/00/185248400.db2.gz OSEYBQLLJWDTNK-JKSUJKDBSA-N 1 0 306.406 2.431 10 0 DEAERO CC(C)[NH2+][C@@](CO)(CN1CCC(C(F)(F)F)CC1)C1CC1 ZINC000088439707 185250801 /nfs/dbraw/zinc/25/08/01/185250801.db2.gz CLKMTYJPEORBHT-CQSZACIVSA-N 1 0 308.388 2.400 10 0 DEAERO CCCCN(C)S(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088543552 185256763 /nfs/dbraw/zinc/25/67/63/185256763.db2.gz LFCJOTTWNCXJFN-UHFFFAOYSA-N 1 0 302.440 2.446 10 0 DEAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@@H]1C ZINC000088540919 185255620 /nfs/dbraw/zinc/25/56/20/185255620.db2.gz ZKTRANAJFMYRFJ-FRRDWIJNSA-N 1 0 314.451 2.444 10 0 DEAERO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088541001 185255900 /nfs/dbraw/zinc/25/59/00/185255900.db2.gz KQHJLMZWLLCKLE-VXGBXAGGSA-N 1 0 302.440 2.444 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)o1 ZINC000088543156 185256295 /nfs/dbraw/zinc/25/62/95/185256295.db2.gz LSQCCQLJDVZDFY-GFCCVEGCSA-N 1 0 308.403 2.347 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(Cl)nc1 ZINC000177378409 282206037 /nfs/dbraw/zinc/20/60/37/282206037.db2.gz YHIGDBPNFMKSRN-ZDUSSCGKSA-N 1 0 310.829 2.361 10 0 DEAERO [NH3+][C@@H](CS(=O)(=O)C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000081978828 192348975 /nfs/dbraw/zinc/34/89/75/192348975.db2.gz HQMDHIVDSUYEMK-ZDUSSCGKSA-N 1 0 311.403 2.163 10 0 DEAERO CC[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1S(=O)(=O)C(C)C ZINC000081981736 192349060 /nfs/dbraw/zinc/34/90/60/192349060.db2.gz XCCVRXGRRIPGSV-CVEARBPZSA-N 1 0 311.447 2.484 10 0 DEAERO CCC[NH2+][C@H](c1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000088567527 185258184 /nfs/dbraw/zinc/25/81/84/185258184.db2.gz RGSYOTKTDPYZEN-JKSUJKDBSA-N 1 0 311.447 2.308 10 0 DEAERO CCn1ncnc1COc1ccc(C[NH3+])cc1Br ZINC000088585669 185258453 /nfs/dbraw/zinc/25/84/53/185258453.db2.gz YIDLOLGANUMOOM-UHFFFAOYSA-N 1 0 311.183 2.098 10 0 DEAERO COCC[NH2+]CCCc1nnc(Cc2cccc(O)c2)s1 ZINC000088813279 185266412 /nfs/dbraw/zinc/26/64/12/185266412.db2.gz CZMZELPZAGCCIC-UHFFFAOYSA-N 1 0 307.419 2.003 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCC(C[NH2+]C(C)C)CC1 ZINC000088716910 185263168 /nfs/dbraw/zinc/26/31/68/185263168.db2.gz JXTZDCSMGQQSNL-UHFFFAOYSA-N 1 0 310.463 2.394 10 0 DEAERO O=S(=O)(CCC[NH2+]C1CC1)c1cccc(Br)c1 ZINC000081982756 192349909 /nfs/dbraw/zinc/34/99/09/192349909.db2.gz IUVDFZQJWYCPJE-UHFFFAOYSA-N 1 0 318.236 2.365 10 0 DEAERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C[C@@H]1CCCCNC1=O ZINC000329366301 231511102 /nfs/dbraw/zinc/51/11/02/231511102.db2.gz IKYYFYHXKNBBHX-QLFBSQMISA-N 1 0 307.438 2.218 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCc1ccccn1 ZINC000179221307 282218926 /nfs/dbraw/zinc/21/89/26/282218926.db2.gz ZWENDHLRSXWDRK-MRXNPFEDSA-N 1 0 304.438 2.188 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000090293221 185289889 /nfs/dbraw/zinc/28/98/89/185289889.db2.gz UECIBYZCZMGQPC-UHFFFAOYSA-N 1 0 323.245 2.366 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1noc(-c2cccs2)n1 ZINC000090332109 185291525 /nfs/dbraw/zinc/29/15/25/185291525.db2.gz OKTVIGNSXAMTFE-GRYCIOLGSA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)COc1cccc(Cl)c1 ZINC000090336135 185291591 /nfs/dbraw/zinc/29/15/91/185291591.db2.gz ZRWXTMZVMJJYHL-BXUZGUMPSA-N 1 0 308.809 2.175 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1Cc1nc(-c2cccs2)no1 ZINC000090337438 185291746 /nfs/dbraw/zinc/29/17/46/185291746.db2.gz SKGUOASUYSUUCA-WDEREUQCSA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1CC(=O)Nc1ccccc1Cl ZINC000090338159 185291889 /nfs/dbraw/zinc/29/18/89/185291889.db2.gz CELHLBOLUPESII-NWDGAFQWSA-N 1 0 307.825 2.208 10 0 DEAERO C[C@@H]([NH3+])CCSCC(=O)NC(=O)c1ccc(Cl)cc1 ZINC000090346597 185292077 /nfs/dbraw/zinc/29/20/77/185292077.db2.gz MZLKSHPYNCBAGG-SECBINFHSA-N 1 0 300.811 2.067 10 0 DEAERO NC(=O)[C@H]([NH2+]C1CCCCC1)c1cncc(Br)c1 ZINC000166185882 197688903 /nfs/dbraw/zinc/68/89/03/197688903.db2.gz CBSKJNGCLGPNSD-GFCCVEGCSA-N 1 0 312.211 2.293 10 0 DEAERO Cc1cc(Cl)c(NC(=O)[C@H]2COC[C@@H]2[NH3+])c2cccnc12 ZINC000090379769 185293693 /nfs/dbraw/zinc/29/36/93/185293693.db2.gz MMTFFXUEVJXRQZ-JQWIXIFHSA-N 1 0 305.765 2.109 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1c1nc2cc(Br)ccc2n1C ZINC000090388592 185293885 /nfs/dbraw/zinc/29/38/85/185293885.db2.gz DFJBPGZXTHTOCX-KOLCDFICSA-N 1 0 310.195 2.038 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000090423588 185295296 /nfs/dbraw/zinc/29/52/96/185295296.db2.gz YPNHTPBCOZIYFH-KOLCDFICSA-N 1 0 324.178 2.201 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000090436571 185296279 /nfs/dbraw/zinc/29/62/79/185296279.db2.gz SPRCFJLCMGKOEU-WCBMZHEXSA-N 1 0 320.723 2.114 10 0 DEAERO C[C@]1(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)COC[C@H]1[NH3+] ZINC000090592015 185305958 /nfs/dbraw/zinc/30/59/58/185305958.db2.gz KFPPDRUYVLNKPB-ZBFHGGJFSA-N 1 0 308.809 2.195 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)cc1F ZINC000090541134 185301808 /nfs/dbraw/zinc/30/18/08/185301808.db2.gz MVEOJRZVPZBOOJ-GWCFXTLKSA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCSc2ccccc21 ZINC000090543504 185302101 /nfs/dbraw/zinc/30/21/01/185302101.db2.gz AOAXGGSRJOUNJY-CHWSQXEVSA-N 1 0 306.431 2.140 10 0 DEAERO COC(=O)C1CCC(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000179510871 282227638 /nfs/dbraw/zinc/22/76/38/282227638.db2.gz HZHYKYJVFPOKFY-HSBZDZAISA-N 1 0 312.454 2.058 10 0 DEAERO Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000090686796 185309682 /nfs/dbraw/zinc/30/96/82/185309682.db2.gz HUIGUSOQNNOCKJ-OAHLLOKOSA-N 1 0 317.433 2.102 10 0 DEAERO COc1cccc(CC(=O)N2CCCSC[C@H]2C[NH+](C)C)c1 ZINC000090700116 185310470 /nfs/dbraw/zinc/31/04/70/185310470.db2.gz NTUWWGOJLCUAFI-OAHLLOKOSA-N 1 0 322.474 2.133 10 0 DEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)NCCc1ccccc1 ZINC000090700229 185310560 /nfs/dbraw/zinc/31/05/60/185310560.db2.gz TXUIZKIGDKYKLW-INIZCTEOSA-N 1 0 321.490 2.308 10 0 DEAERO Cc1cc(C[NH2+][C@@]2(C)CCS(=O)(=O)C2)c2ccccc2n1 ZINC000092345560 185313505 /nfs/dbraw/zinc/31/35/05/185313505.db2.gz WDDDCIIFNCXYEM-INIZCTEOSA-N 1 0 304.415 2.210 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](Sc1nnc(C)n1C)CC2 ZINC000092389957 185315657 /nfs/dbraw/zinc/31/56/57/185315657.db2.gz MNMVNYMVEUWXGV-KGLIPLIRSA-N 1 0 304.419 2.239 10 0 DEAERO CCc1nn(CC)c(C[NH2+][C@@H](CO)C(C)C)c1Br ZINC000092400131 185315790 /nfs/dbraw/zinc/31/57/90/185315790.db2.gz XUGGTIZTHPOADU-NSHDSACASA-N 1 0 318.259 2.334 10 0 DEAERO CCC[NH2+][C@@H](Cc1c(C)nn(C)c1Cl)[C@H]1CSCCO1 ZINC000167302262 197706142 /nfs/dbraw/zinc/70/61/42/197706142.db2.gz REKBDIVTMBQFPC-QWHCGFSZSA-N 1 0 317.886 2.425 10 0 DEAERO CCn1cnnc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000286610338 219080893 /nfs/dbraw/zinc/08/08/93/219080893.db2.gz BSMIHOWCVOMRFV-UKRRQHHQSA-N 1 0 313.405 2.005 10 0 DEAERO CN(C)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCCCCC1 ZINC000106457456 282251063 /nfs/dbraw/zinc/25/10/63/282251063.db2.gz ABTFARALYHYFGW-GOSISDBHSA-N 1 0 317.477 2.152 10 0 DEAERO C[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[C@H](C)CO ZINC000184879529 282257227 /nfs/dbraw/zinc/25/72/27/282257227.db2.gz LIZWNQXNSLOKMQ-HZPDHXFCSA-N 1 0 318.461 2.422 10 0 DEAERO C[C@@H](CO)[C@@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184879510 282257329 /nfs/dbraw/zinc/25/73/29/282257329.db2.gz LIZWNQXNSLOKMQ-JKSUJKDBSA-N 1 0 318.461 2.422 10 0 DEAERO N[C@@H]1C(=O)Nc2cc(OCC[NH+]3CCCCC3)c(Cl)cc21 ZINC000092770051 185339548 /nfs/dbraw/zinc/33/95/48/185339548.db2.gz SOGZRLDNDBGBQV-AWEZNQCLSA-N 1 0 309.797 2.157 10 0 DEAERO C[NH2+]Cc1csc(S(=O)(=O)NC2C(C)(C)C2(C)C)c1 ZINC000092833282 185344919 /nfs/dbraw/zinc/34/49/19/185344919.db2.gz SQMIGNPBEVGWCA-UHFFFAOYSA-N 1 0 302.465 2.180 10 0 DEAERO COc1cc(C[NH3+])cc(Br)c1OCCC(C)(C)O ZINC000092800170 185342086 /nfs/dbraw/zinc/34/20/86/185342086.db2.gz OYORJAAKMOEZKE-UHFFFAOYSA-N 1 0 318.211 2.456 10 0 DEAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1Sc1nnc(C)n1C ZINC000092911768 185348551 /nfs/dbraw/zinc/34/85/51/185348551.db2.gz UKEUKTBTKMRZCD-KGLIPLIRSA-N 1 0 304.419 2.110 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000092953382 185350301 /nfs/dbraw/zinc/35/03/01/185350301.db2.gz YFRORTZCQHQGPJ-WDEREUQCSA-N 1 0 304.781 2.462 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092955926 185350470 /nfs/dbraw/zinc/35/04/70/185350470.db2.gz SBQPOYGGFWMIGM-KOLCDFICSA-N 1 0 310.419 2.478 10 0 DEAERO COC1(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CCC1 ZINC000181414563 199293854 /nfs/dbraw/zinc/29/38/54/199293854.db2.gz XMXJOUQKUFBIDM-OAHLLOKOSA-N 1 0 305.422 2.158 10 0 DEAERO C[C@H]([NH2+]CCCc1ccccn1)c1ccc(-n2cnnn2)cc1 ZINC000181487277 199304750 /nfs/dbraw/zinc/30/47/50/199304750.db2.gz WWWHDMAQCMOCTG-AWEZNQCLSA-N 1 0 308.389 2.341 10 0 DEAERO Brc1ccc(-n2cncc2[C@@H]2C[NH2+]CCO2)cc1 ZINC000097013011 185396871 /nfs/dbraw/zinc/39/68/71/185396871.db2.gz PNHVKBVPNFQJLV-ZDUSSCGKSA-N 1 0 308.179 2.296 10 0 DEAERO CO[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[C@H]1C ZINC000187672997 282288136 /nfs/dbraw/zinc/28/81/36/282288136.db2.gz QIZHFELKLMKIKY-PRLABOORSA-N 1 0 311.470 2.173 10 0 DEAERO C/C=C/c1ccc(OCC(=O)NCC[NH+]2CCCC2)c(OC)c1 ZINC000052851609 539339924 /nfs/dbraw/zinc/33/99/24/539339924.db2.gz LMQBRGSXHGSERP-ZZXKWVIFSA-N 1 0 318.417 2.319 10 0 DEAERO OC[C@@]1(Cc2ccc(F)c(Br)c2)CCC[NH2+]C1 ZINC000097153685 185416621 /nfs/dbraw/zinc/41/66/21/185416621.db2.gz SXCAHXYMLRYWEP-CYBMUJFWSA-N 1 0 302.187 2.493 10 0 DEAERO CN(Cc1ccc(CO)o1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328630314 529984392 /nfs/dbraw/zinc/98/43/92/529984392.db2.gz JFLKDCSFAANCPZ-YJBOKZPZSA-N 1 0 315.417 2.292 10 0 DEAERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000195296444 530006836 /nfs/dbraw/zinc/00/68/36/530006836.db2.gz AMHPTOFFPUVIPX-GOSISDBHSA-N 1 0 303.450 2.262 10 0 DEAERO CN(Cc1cscn1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106911330 185462756 /nfs/dbraw/zinc/46/27/56/185462756.db2.gz HPRVWLWPDCPVRX-OAHLLOKOSA-N 1 0 303.431 2.274 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1Br ZINC000194725690 530063741 /nfs/dbraw/zinc/06/37/41/530063741.db2.gz QBANYBWYSMYYPB-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO Cc1cccc(C)c1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000193800746 282357728 /nfs/dbraw/zinc/35/77/28/282357728.db2.gz CDGOWDLYYCIRRF-HNNXBMFYSA-N 1 0 319.449 2.334 10 0 DEAERO CCNC(=O)CC[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083249873 192369156 /nfs/dbraw/zinc/36/91/56/192369156.db2.gz WIPQVWKQLCJKFO-ZDUSSCGKSA-N 1 0 306.406 2.019 10 0 DEAERO CN(Cc1cccc(Cl)c1Cl)C(=O)COC1(C)C[NH2+]C1 ZINC000098060411 539435869 /nfs/dbraw/zinc/43/58/69/539435869.db2.gz WTKSXLSPWRRCNF-UHFFFAOYSA-N 1 0 317.216 2.330 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000245414250 282385319 /nfs/dbraw/zinc/38/53/19/282385319.db2.gz CCVCVURDHCBAGA-NXOAAHMSSA-N 1 0 309.498 2.343 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](COC)c2ccccc2)C1 ZINC000245392619 282384617 /nfs/dbraw/zinc/38/46/17/282384617.db2.gz BDUUTUNCBCUDDM-HZPDHXFCSA-N 1 0 305.422 2.158 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000245428441 282387227 /nfs/dbraw/zinc/38/72/27/282387227.db2.gz MOEAAKFUJFAJCX-NXOAAHMSSA-N 1 0 309.498 2.438 10 0 DEAERO COc1ncc(C)cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245433594 282387630 /nfs/dbraw/zinc/38/76/30/282387630.db2.gz QFBILLIQMZHTAG-QWHCGFSZSA-N 1 0 306.410 2.345 10 0 DEAERO Cc1nc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)sc1C ZINC000245484641 282391181 /nfs/dbraw/zinc/39/11/81/282391181.db2.gz HURMKTKXPORPNL-GXFFZTMASA-N 1 0 310.467 2.384 10 0 DEAERO C[C@H](c1ccncc1)N(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111245197 185563243 /nfs/dbraw/zinc/56/32/43/185563243.db2.gz VEQMEFXCMORAJQ-ZWNOBZJWSA-N 1 0 301.312 2.143 10 0 DEAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC[C@H]1CCCO1 ZINC000129940788 539493185 /nfs/dbraw/zinc/49/31/85/539493185.db2.gz JCYKXAIYUARLHN-LLVKDONJSA-N 1 0 317.838 2.402 10 0 DEAERO Cc1cc(F)c(C(=O)NCCCC[NH+]2CCOCC2)cc1F ZINC000132927861 539504321 /nfs/dbraw/zinc/50/43/21/539504321.db2.gz UKPWVCDTPVKKGV-UHFFFAOYSA-N 1 0 312.360 2.115 10 0 DEAERO COCCN(CCOC)c1cccc(Cl)c1C[C@@H](C)[NH3+] ZINC000111509213 185609910 /nfs/dbraw/zinc/60/99/10/185609910.db2.gz GYSICEPYJBRJRB-GFCCVEGCSA-N 1 0 300.830 2.329 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)NC[C@H](C)[NH+](CC)CC)C12CCC2 ZINC000246465138 282445379 /nfs/dbraw/zinc/44/53/79/282445379.db2.gz VECYXAQBXLLBBK-SOUVJXGZSA-N 1 0 311.470 2.364 10 0 DEAERO CNC(=O)c1cccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152306382 539535911 /nfs/dbraw/zinc/53/59/11/539535911.db2.gz QLJKMRAMRFBCGQ-KRWDZBQOSA-N 1 0 311.385 2.095 10 0 DEAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@@H](O)COC ZINC000069053655 190794683 /nfs/dbraw/zinc/79/46/83/190794683.db2.gz DDPCEETUJPJCST-NSHDSACASA-N 1 0 308.205 2.489 10 0 DEAERO Cc1n[nH]cc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279682850 215059200 /nfs/dbraw/zinc/05/92/00/215059200.db2.gz HJZCRAXJZQDQQT-WCQYABFASA-N 1 0 308.426 2.453 10 0 DEAERO [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)o1 ZINC000155600621 539559509 /nfs/dbraw/zinc/55/95/09/539559509.db2.gz JASMQZISZCJWBE-CYBMUJFWSA-N 1 0 314.341 2.444 10 0 DEAERO [NH3+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1cc(Br)cs1 ZINC000069798378 190818748 /nfs/dbraw/zinc/81/87/48/190818748.db2.gz JAHLHJZJNRRVGS-LDYMZIIASA-N 1 0 301.209 2.274 10 0 DEAERO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(N)=O)C1)C2 ZINC000249024096 282544101 /nfs/dbraw/zinc/54/41/01/282544101.db2.gz LEZKSGAFEPKDPG-KFWWJZLASA-N 1 0 302.418 2.186 10 0 DEAERO CCC[NH2+][C@@](C)(CCCOc1c(F)cccc1F)C(N)=O ZINC000123646443 185829620 /nfs/dbraw/zinc/82/96/20/185829620.db2.gz HYNAJQPEHQRFSG-HNNXBMFYSA-N 1 0 300.349 2.367 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000123916043 185856021 /nfs/dbraw/zinc/85/60/21/185856021.db2.gz HEDPLFHRYQAQFP-UHFFFAOYSA-N 1 0 304.415 2.212 10 0 DEAERO CC(=O)Nc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000181987684 199372106 /nfs/dbraw/zinc/37/21/06/199372106.db2.gz QVFLABPYUKXXRH-KSSFIOAISA-N 1 0 319.449 2.142 10 0 DEAERO CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247074681 535067611 /nfs/dbraw/zinc/06/76/11/535067611.db2.gz OUMOOTPGTFSMHG-HOCLYGCPSA-N 1 0 306.454 2.351 10 0 DEAERO C[C@H]1CC[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000070180992 190868767 /nfs/dbraw/zinc/86/87/67/190868767.db2.gz MSDJKOOGNDJWOX-VHSXEESVSA-N 1 0 320.817 2.227 10 0 DEAERO C[C@H]1CC[C@@H](C[NH3+])CN1S(=O)(=O)c1ccccc1Cl ZINC000070181174 190869033 /nfs/dbraw/zinc/86/90/33/190869033.db2.gz XIWZTYXDJUQCIM-QWRGUYRKSA-N 1 0 302.827 2.088 10 0 DEAERO CN(Cc1nc2ccccc2n1C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000168841714 539612792 /nfs/dbraw/zinc/61/27/92/539612792.db2.gz JPOUZSYZMZQZJA-STQMWFEESA-N 1 0 300.406 2.049 10 0 DEAERO CC(C)C[NH2+]Cc1c(N(C)C(C)(C)CO)nc2sccn12 ZINC000126845437 185897204 /nfs/dbraw/zinc/89/72/04/185897204.db2.gz VSKHNXDLLANLHM-UHFFFAOYSA-N 1 0 310.467 2.349 10 0 DEAERO CC(C)(C)OC(=O)NCC[NH+]1CCC(c2cncnc2)CC1 ZINC000616619064 362897659 /nfs/dbraw/zinc/89/76/59/362897659.db2.gz AJDHXWPXSWQMMY-UHFFFAOYSA-N 1 0 306.410 2.181 10 0 DEAERO COC(=O)c1cnc(-c2ccc(F)cc2)nc1[C@H]1CCC[NH2+]1 ZINC000616579912 362893971 /nfs/dbraw/zinc/89/39/71/362893971.db2.gz SJEQBIGYUPWCGJ-CYBMUJFWSA-N 1 0 301.321 2.494 10 0 DEAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000616656883 362904758 /nfs/dbraw/zinc/90/47/58/362904758.db2.gz UTUJGMGQEVKHGX-OAHLLOKOSA-N 1 0 323.412 2.297 10 0 DEAERO [NH3+]C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1 ZINC000616670555 362907263 /nfs/dbraw/zinc/90/72/63/362907263.db2.gz VNBNPPDSIPIWEY-AWEZNQCLSA-N 1 0 302.399 2.155 10 0 DEAERO [NH3+]CCN1CC[C@@H](S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000616675288 362907604 /nfs/dbraw/zinc/90/76/04/362907604.db2.gz QDLRNEWDKDBFKD-QGZVFWFLSA-N 1 0 316.426 2.370 10 0 DEAERO COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)c1 ZINC000176954650 539628653 /nfs/dbraw/zinc/62/86/53/539628653.db2.gz JOXUSZXQEKICCJ-NEPJUHHUSA-N 1 0 315.435 2.035 10 0 DEAERO COc1ccnc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000180195317 539644322 /nfs/dbraw/zinc/64/43/22/539644322.db2.gz HRPVVIOBTKKGEN-WBVHZDCISA-N 1 0 311.385 2.265 10 0 DEAERO [NH3+][C@H]1CCCN(c2ncccc2-c2nc(-c3ccccn3)no2)C1 ZINC000070458021 190897491 /nfs/dbraw/zinc/89/74/91/190897491.db2.gz FUUGJUDCDUFJOX-LBPRGKRZSA-N 1 0 322.372 2.121 10 0 DEAERO CC(C)C[NH2+]C[C@H]1CC[C@H]1N1CCN(CC(F)(F)F)CC1 ZINC000127120913 185918558 /nfs/dbraw/zinc/91/85/58/185918558.db2.gz GSJLGEFZPHTCBA-ZIAGYGMSSA-N 1 0 307.404 2.191 10 0 DEAERO CC(C)C[NH2+]C[C@@H]1CC[C@H]1N1CCN(CC(F)(F)F)CC1 ZINC000127120713 185918794 /nfs/dbraw/zinc/91/87/94/185918794.db2.gz GSJLGEFZPHTCBA-UONOGXRCSA-N 1 0 307.404 2.191 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2cnn(CCC(F)(F)F)c2)CC1 ZINC000182277314 539656012 /nfs/dbraw/zinc/65/60/12/539656012.db2.gz XFTUZXRCOPGSTI-UHFFFAOYSA-N 1 0 318.343 2.002 10 0 DEAERO COC(=O)c1sccc1NC(=O)c1ccc(CC[NH3+])cc1 ZINC000070552644 190905890 /nfs/dbraw/zinc/90/58/90/190905890.db2.gz ALIHCRSPZOKXKT-UHFFFAOYSA-N 1 0 304.371 2.288 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183226014 539660013 /nfs/dbraw/zinc/66/00/13/539660013.db2.gz SPIBJLYAJNUMLC-MKBNYLNASA-N 1 0 304.390 2.373 10 0 DEAERO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)[C@H]1CCCO1 ZINC000183179770 539660527 /nfs/dbraw/zinc/66/05/27/539660527.db2.gz MEFJBAURILISTG-GXFFZTMASA-N 1 0 314.332 2.384 10 0 DEAERO C[NH2+][C@H](c1cccc2c1OC(C)(C)C2)[C@@H]1CCS(=O)(=O)C1 ZINC000080507484 192164241 /nfs/dbraw/zinc/16/42/41/192164241.db2.gz YZLNFPCBGVIACZ-OCCSQVGLSA-N 1 0 309.431 2.095 10 0 DEAERO CN1C(=O)CC[C@@H]([NH3+])[C@H]1c1ccc(Br)cc1F ZINC000070985037 190928897 /nfs/dbraw/zinc/92/88/97/190928897.db2.gz LWVDSYRBEYYEFV-ZYHUDNBSSA-N 1 0 301.159 2.209 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000236697159 201970182 /nfs/dbraw/zinc/97/01/82/201970182.db2.gz WGUFSKDOUYRTFZ-ZDUSSCGKSA-N 1 0 315.421 2.210 10 0 DEAERO C[NH2+][C@@H](C)c1cc(Br)ccc1SC[C@@H](O)CO ZINC000130150778 185941437 /nfs/dbraw/zinc/94/14/37/185941437.db2.gz MTSLZULYEVFGPY-WPRPVWTQSA-N 1 0 320.252 2.175 10 0 DEAERO CSc1nc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2s1 ZINC000130173356 185943917 /nfs/dbraw/zinc/94/39/17/185943917.db2.gz OHCVSSZPNBBEPX-JTQLQIEISA-N 1 0 323.443 2.335 10 0 DEAERO [NH3+]Cc1cc(C(=O)NCc2cccc(Br)c2)ccn1 ZINC000130200470 185945614 /nfs/dbraw/zinc/94/56/14/185945614.db2.gz TXWZZFWPKXCGCU-UHFFFAOYSA-N 1 0 320.190 2.233 10 0 DEAERO C[NH2+][C@@H](c1sc(C)cc1Br)[C@@H]1COCCO1 ZINC000083678374 192378453 /nfs/dbraw/zinc/37/84/53/192378453.db2.gz ZRCSAXKMQLGOEB-VHSXEESVSA-N 1 0 306.225 2.495 10 0 DEAERO C[C@H]1CC[C@@H](C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)O1 ZINC000190525032 539695617 /nfs/dbraw/zinc/69/56/17/539695617.db2.gz OPOIHNNXRAFFAX-RDJZCZTQSA-N 1 0 320.481 2.323 10 0 DEAERO CCN(c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000071314415 190956425 /nfs/dbraw/zinc/95/64/25/190956425.db2.gz NLPAYOHCUBFUJK-NSHDSACASA-N 1 0 322.352 2.168 10 0 DEAERO COC(=O)COC[C@@H]([NH3+])c1cc(Br)sc1C ZINC000084007043 192395477 /nfs/dbraw/zinc/39/54/77/192395477.db2.gz OHSVCFAADIPVIM-MRVPVSSYSA-N 1 0 308.197 2.008 10 0 DEAERO CC[NH2+][C@H](C[S@@](=O)C1CCOCC1)c1ccc(OC)cc1 ZINC000084055311 192397383 /nfs/dbraw/zinc/39/73/83/192397383.db2.gz BOJBRCCLLLIWDR-IERDGZPVSA-N 1 0 311.447 2.274 10 0 DEAERO C[NH2+][C@H](C)c1ccc(OC)c(C[S@@](=O)C2CCOCC2)c1 ZINC000084053085 192398118 /nfs/dbraw/zinc/39/81/18/192398118.db2.gz WPGRPKVDLORICF-GTJPDFRWSA-N 1 0 311.447 2.403 10 0 DEAERO CC(C)(C)CCS(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000228334043 539732172 /nfs/dbraw/zinc/73/21/72/539732172.db2.gz YTABUVYFMGWXFJ-KGLIPLIRSA-N 1 0 302.484 2.216 10 0 DEAERO CCOC(=O)c1csc2ncnc(NCCC[NH+](C)C)c12 ZINC000071541330 190989290 /nfs/dbraw/zinc/98/92/90/190989290.db2.gz OBZAZXIGWBMPAU-UHFFFAOYSA-N 1 0 308.407 2.232 10 0 DEAERO CCSC[C@H](Cc1c(Br)c(C)nn1C)[NH2+]C ZINC000084274196 192419118 /nfs/dbraw/zinc/41/91/18/192419118.db2.gz LSJSIUGHELXZNW-VIFPVBQESA-N 1 0 306.273 2.375 10 0 DEAERO CC(C)c1csc(NC(=O)Cc2csc(CC[NH3+])n2)n1 ZINC000071695780 191007918 /nfs/dbraw/zinc/00/79/18/191007918.db2.gz QZWVKOSBZJUUCK-UHFFFAOYSA-N 1 0 310.448 2.405 10 0 DEAERO [NH3+]Cc1nc(CC(=O)Nc2ccc(F)c(F)c2F)cs1 ZINC000071695948 191008978 /nfs/dbraw/zinc/00/89/78/191008978.db2.gz KOBKHSXNMLDKOB-UHFFFAOYSA-N 1 0 301.293 2.200 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)Cc2csc([C@H](C)[NH3+])n2)cc1 ZINC000071696100 191009042 /nfs/dbraw/zinc/00/90/42/191009042.db2.gz QASXUVFNMMFPPU-VIFPVBQESA-N 1 0 318.402 2.302 10 0 DEAERO CC1(CNC(=O)N[C@H]2CCCC[NH2+]C2)Cc2ccccc2C1 ZINC000333836914 282978267 /nfs/dbraw/zinc/97/82/67/282978267.db2.gz ULCUKHGIUJTHMD-INIZCTEOSA-N 1 0 301.434 2.233 10 0 DEAERO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCCCSC)c1 ZINC000133664981 186004577 /nfs/dbraw/zinc/00/45/77/186004577.db2.gz NZDSRLBJMVARFU-GFCCVEGCSA-N 1 0 316.492 2.389 10 0 DEAERO COc1cc([C@H]([NH3+])c2c(Br)cnn2C)ccc1F ZINC000133724120 186009941 /nfs/dbraw/zinc/00/99/41/186009941.db2.gz ZVHHCAYBEPQBGQ-NSHDSACASA-N 1 0 314.158 2.378 10 0 DEAERO CCN(CC)S(=O)(=O)c1cc(C[NH2+]C(C)C)cc(F)c1F ZINC000138252744 186015719 /nfs/dbraw/zinc/01/57/19/186015719.db2.gz OJCGPENTGOUKLV-UHFFFAOYSA-N 1 0 320.405 2.493 10 0 DEAERO CC(C)CNS(=O)(=O)c1cc(C[NH2+]C(C)C)cc(F)c1F ZINC000138616647 186017909 /nfs/dbraw/zinc/01/79/09/186017909.db2.gz HIAUTNHGGCGFIN-UHFFFAOYSA-N 1 0 320.405 2.397 10 0 DEAERO CC(C)CCN(C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138707101 186018244 /nfs/dbraw/zinc/01/82/44/186018244.db2.gz NRBQZWRVYDHVDX-UHFFFAOYSA-N 1 0 306.378 2.090 10 0 DEAERO C[NH2+][C@H](Cc1cc(OC)ncn1)c1ccc(Br)o1 ZINC000138719149 186018555 /nfs/dbraw/zinc/01/85/55/186018555.db2.gz OZIALQVYQJBSOM-SECBINFHSA-N 1 0 312.167 2.344 10 0 DEAERO CC[C@@H](NC(=O)c1ccc2nc(N)sc2c1)c1ncc[nH]1 ZINC000139522008 186022238 /nfs/dbraw/zinc/02/22/38/186022238.db2.gz KQEVFWWWXALNIC-SECBINFHSA-N 1 0 301.375 2.483 10 0 DEAERO CC[C@@H]1N[C@H](c2cccs2)N(C[C@@H]2CC[N@H+](CC)C2)C1=O ZINC000142239066 186032141 /nfs/dbraw/zinc/03/21/41/186032141.db2.gz LYZMBDJDYSRSQD-IPYPFGDCSA-N 1 0 307.463 2.299 10 0 DEAERO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC000140711901 186028400 /nfs/dbraw/zinc/02/84/00/186028400.db2.gz NXFWVGJQCPDSRN-MGPQQGTHSA-N 1 0 305.484 2.193 10 0 DEAERO Cc1nc(OCc2ccccc2Br)cc(NN)[nH+]1 ZINC000147824591 186041915 /nfs/dbraw/zinc/04/19/15/186041915.db2.gz CGQKATHAFWVJTD-UHFFFAOYSA-N 1 0 309.167 2.412 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(N2CCN(c3nccs3)CC2)cn1 ZINC000148141469 186042896 /nfs/dbraw/zinc/04/28/96/186042896.db2.gz KXRVVTSAPBSHQS-LBPRGKRZSA-N 1 0 303.435 2.145 10 0 DEAERO CC[NH+](CC)C[C@H](C)N1C(=O)C2(CC2)N[C@@H]1c1cccs1 ZINC000145145189 186036436 /nfs/dbraw/zinc/03/64/36/186036436.db2.gz OYYACAUCUCVFNP-JSGCOSHPSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000148989589 186047457 /nfs/dbraw/zinc/04/74/57/186047457.db2.gz GJZKIMMKUHSSCS-ZDUSSCGKSA-N 1 0 306.381 2.290 10 0 DEAERO CC(C)CN(CCC[NH3+])S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000149271948 186048159 /nfs/dbraw/zinc/04/81/59/186048159.db2.gz RNXJLISCMQBCGE-OAHLLOKOSA-N 1 0 312.479 2.427 10 0 DEAERO CCC[NH2+][C@H](Cc1cn2ccsc2n1)[C@@H]1CSCCO1 ZINC000149252493 186048219 /nfs/dbraw/zinc/04/82/19/186048219.db2.gz FVDBFNLSPBQQKM-OLZOCXBDSA-N 1 0 311.476 2.439 10 0 DEAERO C[C@H](CS(=O)(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2)c1ccccc1 ZINC000149499100 186050130 /nfs/dbraw/zinc/05/01/30/186050130.db2.gz NEUSJCQGLWWHQU-OHRKKDJYSA-N 1 0 308.447 2.074 10 0 DEAERO CC1(C)CCC[C@H](NS(=O)(=O)c2ccc(CC[NH3+])s2)C1 ZINC000150077479 186054611 /nfs/dbraw/zinc/05/46/11/186054611.db2.gz SVCAPWBSHUIOTE-NSHDSACASA-N 1 0 316.492 2.496 10 0 DEAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NN2CCCCC2)c1 ZINC000148538834 186045167 /nfs/dbraw/zinc/04/51/67/186045167.db2.gz VEZBLDTWKQKFHA-ZDUSSCGKSA-N 1 0 311.451 2.036 10 0 DEAERO O[C@H](C[NH2+][C@H]1CCCC[C@H]1O)COCc1ccccc1Cl ZINC000250080235 539782573 /nfs/dbraw/zinc/78/25/73/539782573.db2.gz JAWZQKSVNSROEN-VNQPRFMTSA-N 1 0 313.825 2.111 10 0 DEAERO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C)C1 ZINC000252031930 539784092 /nfs/dbraw/zinc/78/40/92/539784092.db2.gz ZNTCTQDHOOVABG-XBFCOCLRSA-N 1 0 307.463 2.388 10 0 DEAERO CCC[NH2+][C@H]1CCCc2sc([C@@H]3CCS(=O)(=O)C3)nc21 ZINC000150265471 186056226 /nfs/dbraw/zinc/05/62/26/186056226.db2.gz XHTCTECJDOLXBK-MNOVXSKESA-N 1 0 314.476 2.422 10 0 DEAERO CCCC[C@@H](C[NH3+])Nc1ccccc1S(=O)(=O)NC1CC1 ZINC000150335554 186056781 /nfs/dbraw/zinc/05/67/81/186056781.db2.gz AWPAVVWNVUCRMG-ZDUSSCGKSA-N 1 0 311.451 2.057 10 0 DEAERO CCC[NH+]1CCC(N(C)C(=O)NCc2cccc(C)n2)CC1 ZINC000171046607 197870688 /nfs/dbraw/zinc/87/06/88/197870688.db2.gz LQBARTNXXKAQLJ-UHFFFAOYSA-N 1 0 304.438 2.406 10 0 DEAERO CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000152580109 186086579 /nfs/dbraw/zinc/08/65/79/186086579.db2.gz LIDHEHZYFUZMLH-LBPRGKRZSA-N 1 0 303.406 2.153 10 0 DEAERO CC1(C)C[N@H+](CC[C@H](O)c2cccc(Cl)c2)C[C@@H](CO)O1 ZINC000163955962 186143749 /nfs/dbraw/zinc/14/37/49/186143749.db2.gz PDVYVNHEVHWEIH-GJZGRUSLSA-N 1 0 313.825 2.235 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cc(C)ccc2Br)C1 ZINC000163970468 186143885 /nfs/dbraw/zinc/14/38/85/186143885.db2.gz KRJXDMHAABPPSA-JOYOIKCWSA-N 1 0 313.195 2.073 10 0 DEAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)Cc1c(F)cccc1F ZINC000164006500 186146070 /nfs/dbraw/zinc/14/60/70/186146070.db2.gz NIPMQKFKPVZVHW-MNOVXSKESA-N 1 0 305.390 2.309 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)c(Br)c2)O1 ZINC000164050908 186147005 /nfs/dbraw/zinc/14/70/05/186147005.db2.gz SPXIMQNTVHIQBO-KWQFWETISA-N 1 0 317.158 2.033 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[S@](=O)c1ccccc1 ZINC000155904087 186121658 /nfs/dbraw/zinc/12/16/58/186121658.db2.gz KNKMKPUOZSJDQE-LAJNKCICSA-N 1 0 302.399 2.280 10 0 DEAERO C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[S@@](=O)c1ccccc1 ZINC000155907248 186122146 /nfs/dbraw/zinc/12/21/46/186122146.db2.gz OXCHWMGOONADTG-GTJPDFRWSA-N 1 0 302.399 2.280 10 0 DEAERO Cc1ccc([S@@](=O)CC(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000155915971 186122884 /nfs/dbraw/zinc/12/28/84/186122884.db2.gz KLSQQBWQOAIBKX-OAQYLSRUSA-N 1 0 302.399 2.200 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1ccc(Br)cc1C ZINC000159552623 186126971 /nfs/dbraw/zinc/12/69/71/186126971.db2.gz QHPYZCSFWIXLKR-NSHDSACASA-N 1 0 315.211 2.450 10 0 DEAERO C[C@@H]([NH2+]CCn1ccnn1)c1ccc(Br)s1 ZINC000159673302 186134685 /nfs/dbraw/zinc/13/46/85/186134685.db2.gz QMLWRWNAMKXVRX-MRVPVSSYSA-N 1 0 301.213 2.453 10 0 DEAERO CCOc1cc2c(cc1C[NH2+]C[C@H](C)[S@](C)=O)O[C@H](C)C2 ZINC000159672065 186134780 /nfs/dbraw/zinc/13/47/80/186134780.db2.gz MYZWBCSIUXDVET-SMDDFHAHSA-N 1 0 311.447 2.265 10 0 DEAERO C[C@@H]1CN(c2ccc(CC[NH3+])cc2C(F)(F)F)CC[N@@H+]1C ZINC000163863554 186140328 /nfs/dbraw/zinc/14/03/28/186140328.db2.gz GCOPKIZSAXMTQO-LLVKDONJSA-N 1 0 301.356 2.347 10 0 DEAERO CCCn1ncc(Br)c1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000164169733 186151174 /nfs/dbraw/zinc/15/11/74/186151174.db2.gz GESANHFHOIIGLL-VIFPVBQESA-N 1 0 300.200 2.380 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000164276615 186154465 /nfs/dbraw/zinc/15/44/65/186154465.db2.gz SWDCKXHYAPQXPH-BDAKNGLRSA-N 1 0 300.200 2.094 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000164367007 186157277 /nfs/dbraw/zinc/15/72/77/186157277.db2.gz IOCRIFOCIRIODZ-WPRPVWTQSA-N 1 0 300.200 2.366 10 0 DEAERO O=C(Cc1ccccc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171471149 186165188 /nfs/dbraw/zinc/16/51/88/186165188.db2.gz VWCMQUNCHPTCIU-CYBMUJFWSA-N 1 0 323.234 2.298 10 0 DEAERO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181911135 186217934 /nfs/dbraw/zinc/21/79/34/186217934.db2.gz GZKNJHSIDXSXMV-KGLIPLIRSA-N 1 0 315.421 2.173 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1cc(Cl)cn1C ZINC000183891906 186227856 /nfs/dbraw/zinc/22/78/56/186227856.db2.gz AAUJOFGUGCYDGH-UHFFFAOYSA-N 1 0 306.797 2.412 10 0 DEAERO CC(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000194280499 186276315 /nfs/dbraw/zinc/27/63/15/186276315.db2.gz SYAOSWCTFIPHRU-XIRDDKMYSA-N 1 0 315.417 2.182 10 0 DEAERO Cc1cc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n(C)n1 ZINC000171650479 197961423 /nfs/dbraw/zinc/96/14/23/197961423.db2.gz ATDYGXAKAOLTCK-CQSZACIVSA-N 1 0 305.426 2.211 10 0 DEAERO Cc1cccc(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000171743715 197977620 /nfs/dbraw/zinc/97/76/20/197977620.db2.gz TUMXDBVWOWTVOJ-QGZVFWFLSA-N 1 0 301.434 2.494 10 0 DEAERO CC(=O)Nc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1C ZINC000171889939 198001848 /nfs/dbraw/zinc/00/18/48/198001848.db2.gz WKKKVHOKLJMIKB-HNNXBMFYSA-N 1 0 316.405 2.265 10 0 DEAERO O=C(NCCc1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897368 198004385 /nfs/dbraw/zinc/00/43/85/198004385.db2.gz ZBGRZLJPBWGMEI-OAHLLOKOSA-N 1 0 307.825 2.372 10 0 DEAERO COc1ccc(Cl)cc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171902549 198005293 /nfs/dbraw/zinc/00/52/93/198005293.db2.gz SEPMOXBGJKMOAA-CQSZACIVSA-N 1 0 323.824 2.338 10 0 DEAERO CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171906968 198006298 /nfs/dbraw/zinc/00/62/98/198006298.db2.gz YJMXPTGXHSBZGK-IAGOWNOFSA-N 1 0 301.434 2.497 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)ccc1F ZINC000171908411 198006340 /nfs/dbraw/zinc/00/63/40/198006340.db2.gz SREGDUIGBZVEDH-LBPRGKRZSA-N 1 0 313.348 2.197 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1nc2ccccc2[nH]1 ZINC000172058686 198033061 /nfs/dbraw/zinc/03/30/61/198033061.db2.gz ZDECCRFMAUMJFY-UONOGXRCSA-N 1 0 312.417 2.191 10 0 DEAERO Cc1nc2ccccc2n1CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000172058392 198033341 /nfs/dbraw/zinc/03/33/41/198033341.db2.gz KFDYCDLPNFSQRS-DZGCQCFKSA-N 1 0 312.417 2.040 10 0 DEAERO CN1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1=O ZINC000172087568 198037952 /nfs/dbraw/zinc/03/79/52/198037952.db2.gz BJJPUHXRDYITGS-OLZOCXBDSA-N 1 0 309.207 2.257 10 0 DEAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000172124994 198042739 /nfs/dbraw/zinc/04/27/39/198042739.db2.gz CBJCUPALWWXZRL-GOEBONIOSA-N 1 0 317.433 2.493 10 0 DEAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000172168288 198050479 /nfs/dbraw/zinc/05/04/79/198050479.db2.gz VCXYIYJLVQQIKA-RYUDHWBXSA-N 1 0 303.406 2.281 10 0 DEAERO COc1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000172134751 198045080 /nfs/dbraw/zinc/04/50/80/198045080.db2.gz LLWPWRMMZISIMB-UKRRQHHQSA-N 1 0 303.406 2.073 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)CSC)cc1 ZINC000172142867 198046580 /nfs/dbraw/zinc/04/65/80/198046580.db2.gz CXIWDPNLSCFXER-UHFFFAOYSA-N 1 0 324.446 2.027 10 0 DEAERO COCCC[N@H+](C)CCNc1cc(C)nc(-c2cccnc2)n1 ZINC000172771562 198147763 /nfs/dbraw/zinc/14/77/63/198147763.db2.gz ACUKVQNSIWDZJO-UHFFFAOYSA-N 1 0 315.421 2.227 10 0 DEAERO C[C@@H](O)C1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172801871 198150543 /nfs/dbraw/zinc/15/05/43/198150543.db2.gz ANXRNLOPMTWBSW-CZUORRHYSA-N 1 0 304.390 2.105 10 0 DEAERO CC(C)Nc1ncccc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173180419 198193124 /nfs/dbraw/zinc/19/31/24/198193124.db2.gz OHZZJEYZEXWZDT-KGLIPLIRSA-N 1 0 304.438 2.457 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(F)cccc2F)CC[N@@H+]1C ZINC000173273198 198204642 /nfs/dbraw/zinc/20/46/42/198204642.db2.gz WFPSKHSNAOEBBW-QWRGUYRKSA-N 1 0 318.389 2.068 10 0 DEAERO COC[C@@H](C)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173706778 198243066 /nfs/dbraw/zinc/24/30/66/198243066.db2.gz KLZRBAPXVUGWEI-NVXWUHKLSA-N 1 0 304.434 2.392 10 0 DEAERO C[C@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000173855778 198261268 /nfs/dbraw/zinc/26/12/68/198261268.db2.gz RDQNPQNLHDUACQ-HNNXBMFYSA-N 1 0 309.413 2.360 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)s1 ZINC000173820779 198256803 /nfs/dbraw/zinc/25/68/03/198256803.db2.gz PZBZCSIIGZHJAP-OLZOCXBDSA-N 1 0 314.476 2.222 10 0 DEAERO Cc1sc2nc(CN3C[C@H]([NH+](C)C)[C@@H](C)C3)nc(N)c2c1C ZINC000317572968 282879924 /nfs/dbraw/zinc/87/99/24/282879924.db2.gz MAYSADQRVRHEHW-CABZTGNLSA-N 1 0 319.478 2.272 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(CCOc2c(C)cccc2C)CC1 ZINC000174075732 198287843 /nfs/dbraw/zinc/28/78/43/198287843.db2.gz YTBXIIHNHVTWPE-KRWDZBQOSA-N 1 0 306.450 2.071 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2csc(-c3ccoc3)n2)CC1 ZINC000174094239 198291417 /nfs/dbraw/zinc/29/14/17/198291417.db2.gz VVBZKTMQKACTEJ-HNNXBMFYSA-N 1 0 321.446 2.292 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000174440770 198335849 /nfs/dbraw/zinc/33/58/49/198335849.db2.gz XCXQAISUMFDEOY-GDBMZVCRSA-N 1 0 317.433 2.493 10 0 DEAERO Cc1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)on1 ZINC000174451027 198337176 /nfs/dbraw/zinc/33/71/76/198337176.db2.gz BOWVGFNBERZZGI-KGLIPLIRSA-N 1 0 306.410 2.140 10 0 DEAERO CC[C@H]1CN(C(=O)c2ccccc2SC)CC[N@@H+]1C[C@@H](C)O ZINC000174590863 198356561 /nfs/dbraw/zinc/35/65/61/198356561.db2.gz PLTRTUGQDMDDOH-KGLIPLIRSA-N 1 0 322.474 2.326 10 0 DEAERO O=C(NCc1nc(C2CC2)cs1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333138510 282920783 /nfs/dbraw/zinc/92/07/83/282920783.db2.gz CRVVDLUVMMOYNJ-UHFFFAOYSA-N 1 0 320.462 2.306 10 0 DEAERO CCOC(=O)Nc1nc2cc(OCC[NH+](CC)CC)ccc2[nH]1 ZINC000048523209 354353569 /nfs/dbraw/zinc/35/35/69/354353569.db2.gz BRJPHLPVHIFDCM-UHFFFAOYSA-N 1 0 320.393 2.274 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc2c1CN(C)C2=O ZINC000334011644 283019517 /nfs/dbraw/zinc/01/95/17/283019517.db2.gz VRFCOAJLSMLGBW-MRXNPFEDSA-N 1 0 315.417 2.474 10 0 DEAERO C[C@H](c1cnn(C)c1)N(C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182712123 199478780 /nfs/dbraw/zinc/47/87/80/199478780.db2.gz YLSJQKRIYVJLHO-LSDHHAIUSA-N 1 0 321.469 2.387 10 0 DEAERO CC[NH+]1CCN([C@@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000073599742 191329136 /nfs/dbraw/zinc/32/91/36/191329136.db2.gz QVCVYDHRZJCWDZ-AWEZNQCLSA-N 1 0 319.474 2.151 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCS[C@@H](C(C)C)C1 ZINC000073653734 191337207 /nfs/dbraw/zinc/33/72/07/191337207.db2.gz UKKFIGMRJJVDST-ZIAGYGMSSA-N 1 0 301.500 2.500 10 0 DEAERO COc1cc(C(C)C)ccc1S(=O)(=O)NCCC[NH+](C)C ZINC000074935659 191389645 /nfs/dbraw/zinc/38/96/45/191389645.db2.gz CRHVXVNVUIPDPP-UHFFFAOYSA-N 1 0 314.451 2.049 10 0 DEAERO CC(C)c1nc2cc(C(=O)NCCC[NH+](C)C)ccc2n1C ZINC000074957754 191395820 /nfs/dbraw/zinc/39/58/20/191395820.db2.gz IQWYMGDOJYUQQW-UHFFFAOYSA-N 1 0 302.422 2.378 10 0 DEAERO Cn1cc(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)nn1 ZINC000389830296 540132480 /nfs/dbraw/zinc/13/24/80/540132480.db2.gz YCSCPQKLRPMYKH-ZDUSSCGKSA-N 1 0 321.222 2.225 10 0 DEAERO Cc1nnc2sc(C(=O)NCCCC[NH+]3CCCC3)c(C)n12 ZINC000075218834 191442744 /nfs/dbraw/zinc/44/27/44/191442744.db2.gz OIVIPPCMRMOXCB-UHFFFAOYSA-N 1 0 321.450 2.013 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CCC2 ZINC000110086385 355740843 /nfs/dbraw/zinc/74/08/43/355740843.db2.gz BSVUXLKAVBGTLY-QGZVFWFLSA-N 1 0 317.433 2.408 10 0 DEAERO COC(=O)CC(C)(C)CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000137061636 355868743 /nfs/dbraw/zinc/86/87/43/355868743.db2.gz MWHCNUQTUHMLOS-UHFFFAOYSA-N 1 0 324.465 2.300 10 0 DEAERO CCOCc1ccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170829429 355994646 /nfs/dbraw/zinc/99/46/46/355994646.db2.gz PFNSEBKFDJRRAW-MRXNPFEDSA-N 1 0 305.422 2.069 10 0 DEAERO COCCO[C@@H]1CCCN(CC(=O)Nc2cccc(C)c2)C1 ZINC000179358863 356023423 /nfs/dbraw/zinc/02/34/23/356023423.db2.gz UCSAJWCWXJXVNP-MRXNPFEDSA-N 1 0 306.406 2.061 10 0 DEAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)on1 ZINC000182256024 356116363 /nfs/dbraw/zinc/11/63/63/356116363.db2.gz UUJCPCZFLDABLX-JTQLQIEISA-N 1 0 303.318 2.001 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccc2c(c1)OCO2 ZINC000182260602 356116907 /nfs/dbraw/zinc/11/69/07/356116907.db2.gz FUBWGUCDZWVHCI-LLVKDONJSA-N 1 0 316.401 2.371 10 0 DEAERO CC[C@@H]1CN(C(=O)NCCCC(C)(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000181814796 356096857 /nfs/dbraw/zinc/09/68/57/356096857.db2.gz NFOWPNRTNWFOKA-HUUCEWRRSA-N 1 0 313.486 2.299 10 0 DEAERO C[C@@H](NC(=O)c1cccn1C1CC[NH2+]CC1)c1nccs1 ZINC000080270578 192019211 /nfs/dbraw/zinc/01/92/11/192019211.db2.gz CPXMGBHTGTVSQU-LLVKDONJSA-N 1 0 304.419 2.360 10 0 DEAERO CC[C@H](NS(=O)(=O)c1ccc(C[NH3+])cc1)c1nccs1 ZINC000080315029 192023016 /nfs/dbraw/zinc/02/30/16/192023016.db2.gz ROXXVTVRZMPCPC-LBPRGKRZSA-N 1 0 311.432 2.031 10 0 DEAERO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1nncs1 ZINC000193625643 356228135 /nfs/dbraw/zinc/22/81/35/356228135.db2.gz GYNOXRAEUCYYNJ-CYBMUJFWSA-N 1 0 317.418 2.182 10 0 DEAERO CC[C@@H]([NH2+]CCCn1ccnn1)c1ccc2c(c1)OCCO2 ZINC000184269155 356189491 /nfs/dbraw/zinc/18/94/91/356189491.db2.gz WFCROUSURSAGBE-CQSZACIVSA-N 1 0 302.378 2.180 10 0 DEAERO CCC([NH3+])(CC)COc1ccccc1S(=O)(=O)NC1CC1 ZINC000080843213 192195364 /nfs/dbraw/zinc/19/53/64/192195364.db2.gz XOWYKEOGMBOEIY-UHFFFAOYSA-N 1 0 312.435 2.024 10 0 DEAERO C[C@H]([NH3+])c1csc(NC(=O)[C@@H]2COc3ccccc3C2)n1 ZINC000080863581 192197382 /nfs/dbraw/zinc/19/73/82/192197382.db2.gz ILSDDOAGKCXOEN-ONGXEEELSA-N 1 0 303.387 2.353 10 0 DEAERO CCC[C@H](C)C[N@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000245948478 356310998 /nfs/dbraw/zinc/31/09/98/356310998.db2.gz WGGSMOYHWMFYIM-LSDHHAIUSA-N 1 0 312.454 2.156 10 0 DEAERO COC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2N)C1 ZINC000081041907 192218986 /nfs/dbraw/zinc/21/89/86/192218986.db2.gz RNJISYAOTZMPIU-QWRGUYRKSA-N 1 0 311.813 2.218 10 0 DEAERO C[C@H]([NH2+]CCN1CC=CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400340865 283156252 /nfs/dbraw/zinc/15/62/52/283156252.db2.gz FQFWXHFRXDRMNK-JKSUJKDBSA-N 1 0 323.481 2.483 10 0 DEAERO CC(C)[C@H](CO)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400391046 283156307 /nfs/dbraw/zinc/15/63/07/283156307.db2.gz OEQWITASNAAROG-KKUMJFAQSA-N 1 0 314.470 2.486 10 0 DEAERO COC[C@H]1CCN(c2ccc(C(N)=[NH2+])c(C(F)(F)F)c2)C1 ZINC000081066680 192222189 /nfs/dbraw/zinc/22/21/89/192222189.db2.gz NJMOUJGHIXKFLV-VIFPVBQESA-N 1 0 301.312 2.462 10 0 DEAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000400460069 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CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCn2cnnc2C1 ZINC000081530479 192284433 /nfs/dbraw/zinc/28/44/33/192284433.db2.gz JLEADOIOMFUNCH-ZFWWWQNUSA-N 1 0 305.813 2.226 10 0 DEAERO NC(=[NH2+])c1cccc(Sc2nnc(C3CC3)n2C2CC2)n1 ZINC000081622543 192304002 /nfs/dbraw/zinc/30/40/02/192304002.db2.gz LOKRADSOLBFAGL-UHFFFAOYSA-N 1 0 300.391 2.321 10 0 DEAERO Brc1nnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000081664126 192307708 /nfs/dbraw/zinc/30/77/08/192307708.db2.gz AYHLBZUWJYDJPG-YUMQZZPRSA-N 1 0 303.229 2.339 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCn3ccnc32)CC1 ZINC000081713557 192316825 /nfs/dbraw/zinc/31/68/25/192316825.db2.gz TYPKIQHBZUSGQM-OAHLLOKOSA-N 1 0 304.438 2.141 10 0 DEAERO C[C@]1(C2CC2)CN(CCOCC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000085513564 192515198 /nfs/dbraw/zinc/51/51/98/192515198.db2.gz VOUHMAMPINFRBV-UONOGXRCSA-N 1 0 306.372 2.418 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000236972862 202103468 /nfs/dbraw/zinc/10/34/68/202103468.db2.gz 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ZINC000428192635 356737969 /nfs/dbraw/zinc/73/79/69/356737969.db2.gz STCGSSSBNSAKRK-ARFHVFGLSA-N 1 0 302.422 2.125 10 0 DEAERO CCCCCCOC[C@H](O)C[NH2+]CC1(O)CCC(C)CC1 ZINC000087061919 192619027 /nfs/dbraw/zinc/61/90/27/192619027.db2.gz RTFLCUSBPFZLNM-AQFXKWCLSA-N 1 0 301.471 2.475 10 0 DEAERO O=C(NCCOCC1CCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000584694358 357291250 /nfs/dbraw/zinc/29/12/50/357291250.db2.gz UEJXFPNQQZGKMU-KRWDZBQOSA-N 1 0 323.481 2.463 10 0 DEAERO CC(C)(C)[C@@H](O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000581958211 357275267 /nfs/dbraw/zinc/27/52/67/357275267.db2.gz PXDOZBQUDDJUAP-AWEZNQCLSA-N 1 0 302.422 2.316 10 0 DEAERO O=S(=O)(CCC[NH2+]C1CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000088970817 192674037 /nfs/dbraw/zinc/67/40/37/192674037.db2.gz IJQJSMNRDMZRPH-ZFWWWQNUSA-N 1 0 300.468 2.113 10 0 DEAERO Cc1c(C[NH2+]C2CC2)cccc1S(=O)(=O)N1CC[C@@H](C)C1 ZINC000088986268 192682854 /nfs/dbraw/zinc/68/28/54/192682854.db2.gz UXKXXCZBUMWPKL-GFCCVEGCSA-N 1 0 308.447 2.278 10 0 DEAERO COCc1cc([C@H](C)[NH2+]CCCN2CCOC2=O)ccc1OC ZINC000178590209 198892622 /nfs/dbraw/zinc/89/26/22/198892622.db2.gz QUIRBPBNFAOOII-ZDUSSCGKSA-N 1 0 322.405 2.335 10 0 DEAERO Cc1ccc2oc(C(=O)Nc3cnn(CC[NH+](C)C)c3)cc2n1 ZINC000591016191 357660704 /nfs/dbraw/zinc/66/07/04/357660704.db2.gz QKBXHXYLTQUGCX-UHFFFAOYSA-N 1 0 313.361 2.147 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000457434312 283297512 /nfs/dbraw/zinc/29/75/12/283297512.db2.gz HBWKXVUPUQRQPP-HOTGVXAUSA-N 1 0 316.401 2.138 10 0 DEAERO CCC[C@@H](C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)[NH+](C)C ZINC000179334215 199017690 /nfs/dbraw/zinc/01/76/90/199017690.db2.gz DSWZTXKXPVMMSM-CJNGLKHVSA-N 1 0 315.421 2.175 10 0 DEAERO CC[C@H](CCO)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179487848 199044318 /nfs/dbraw/zinc/04/43/18/199044318.db2.gz UBJHDMRLAXOOBL-DJIMGWMZSA-N 1 0 319.449 2.140 10 0 DEAERO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@@H](CO)[C@@H]2C)c1C ZINC000488749838 283304947 /nfs/dbraw/zinc/30/49/47/283304947.db2.gz SHXBVFAPKZXSBB-YESZJQIVSA-N 1 0 307.434 2.054 10 0 DEAERO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncc(C(F)(F)F)s1 ZINC000276721601 213067132 /nfs/dbraw/zinc/06/71/32/213067132.db2.gz DICFENUUPULRHV-VIFPVBQESA-N 1 0 308.373 2.210 10 0 DEAERO C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccccn1)N1CCOCC1 ZINC000180042292 199111056 /nfs/dbraw/zinc/11/10/56/199111056.db2.gz QRKAQKZFVAKWFI-LPHOPBHVSA-N 1 0 311.429 2.481 10 0 DEAERO CCCCN([C@H](C)CC)S(=O)(=O)c1n[nH]c(C)c1C[NH2+]C ZINC000089006037 192693027 /nfs/dbraw/zinc/69/30/27/192693027.db2.gz ZNAAZDVZABDOTQ-LLVKDONJSA-N 1 0 316.471 2.027 10 0 DEAERO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1OC ZINC000180606195 199182851 /nfs/dbraw/zinc/18/28/51/199182851.db2.gz RKHBFTAURRYPED-OLZOCXBDSA-N 1 0 316.405 2.269 10 0 DEAERO C[C@H]([NH2+]CCCC(=O)NC(N)=O)c1ccc(F)c(Cl)c1 ZINC000180720695 199201387 /nfs/dbraw/zinc/20/13/87/199201387.db2.gz XNNQAQHDCYZMLR-QMMMGPOBSA-N 1 0 301.749 2.105 10 0 DEAERO Cc1cc(Cl)c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1C ZINC000180804386 199211662 /nfs/dbraw/zinc/21/16/62/199211662.db2.gz UFRFVHZSSFUTIN-CYBMUJFWSA-N 1 0 310.825 2.359 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Cl)cn2)C[N@@H+]1C1CC1 ZINC000180916976 199227653 /nfs/dbraw/zinc/22/76/53/199227653.db2.gz JYWJESMDMSIBLQ-ZWNOBZJWSA-N 1 0 308.813 2.159 10 0 DEAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180882978 199223404 /nfs/dbraw/zinc/22/34/04/199223404.db2.gz DSUPUGZREVLCEC-INIZCTEOSA-N 1 0 302.374 2.492 10 0 DEAERO CC(=O)c1nc(CC[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)[nH]c1C ZINC000595337363 358425228 /nfs/dbraw/zinc/42/52/28/358425228.db2.gz XTIQRLYJDZTYFQ-ZDUSSCGKSA-N 1 0 321.421 2.127 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NCCCCCCO)[C@@H]1c1ccccc1 ZINC000180997031 199238474 /nfs/dbraw/zinc/23/84/74/199238474.db2.gz DCQSMHCGTTXXJV-IRXDYDNUSA-N 1 0 319.449 2.284 10 0 DEAERO CC(C)[NH2+]CCCN(C)S(=O)(=O)NC(C)(C)CC(C)(C)C ZINC000089010476 192696350 /nfs/dbraw/zinc/69/63/50/192696350.db2.gz SBOCOAPTSXGFDD-UHFFFAOYSA-N 1 0 321.531 2.356 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)cs1 ZINC000089011306 192696682 /nfs/dbraw/zinc/69/66/82/192696682.db2.gz ZQBFDUOTAQOLKR-KBPBESRZSA-N 1 0 308.428 2.041 10 0 DEAERO CCC(C)(C)N(C)S(=O)(=O)c1ccc(OCC[NH2+]C)cc1 ZINC000089039422 192713652 /nfs/dbraw/zinc/71/36/52/192713652.db2.gz OKCWWFUIOIYKRL-UHFFFAOYSA-N 1 0 314.451 2.094 10 0 DEAERO C[NH2+]Cc1csc(S(=O)(=O)N2CCC[C@H](C)CC2)c1 ZINC000089036645 192712014 /nfs/dbraw/zinc/71/20/14/192712014.db2.gz USWHDLBAUOXGLE-NSHDSACASA-N 1 0 302.465 2.278 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])CCCOC)c1Br ZINC000089328640 192767961 /nfs/dbraw/zinc/76/79/61/192767961.db2.gz JROSIIYNCZJMGW-VIFPVBQESA-N 1 0 304.232 2.041 10 0 DEAERO C[N@H+](C[C@H](O)c1ccccc1Br)CC1(CO)CC1 ZINC000186772674 200008202 /nfs/dbraw/zinc/00/82/02/200008202.db2.gz SLDAFLSDTUAGKJ-ZDUSSCGKSA-N 1 0 314.223 2.187 10 0 DEAERO C[N@H+](CC1(CO)CC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000186802399 200013045 /nfs/dbraw/zinc/01/30/45/200013045.db2.gz VPULMHJQNPCSNZ-AWEZNQCLSA-N 1 0 308.809 2.150 10 0 DEAERO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)CC2(CO)CC2)cc1 ZINC000186823887 200017275 /nfs/dbraw/zinc/01/72/75/200017275.db2.gz DCDILWRVUDXQGZ-ZDUSSCGKSA-N 1 0 306.406 2.117 10 0 DEAERO C[N@H+](CC1(CO)CC1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000186826991 200017704 /nfs/dbraw/zinc/01/77/04/200017704.db2.gz LJUACYNGIKGDAU-HNNXBMFYSA-N 1 0 306.381 2.025 10 0 DEAERO COc1ccc(OC(F)F)c(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000089742213 192855530 /nfs/dbraw/zinc/85/55/30/192855530.db2.gz IONBRHOTJWZAHX-SECBINFHSA-N 1 0 300.305 2.235 10 0 DEAERO Cc1cnc([C@H](C)CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000187088507 200058972 /nfs/dbraw/zinc/05/89/72/200058972.db2.gz LXIIKBQPCLPYKU-DGCLKSJQSA-N 1 0 308.451 2.045 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)c1ccnc(F)c1F)c1ccccc1 ZINC000187658845 200141025 /nfs/dbraw/zinc/14/10/25/200141025.db2.gz HYWLDTQIMICMED-CYBMUJFWSA-N 1 0 305.328 2.393 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000187896832 200173135 /nfs/dbraw/zinc/17/31/35/200173135.db2.gz AQNCPPLGKJQLGC-BDJLRTHQSA-N 1 0 312.360 2.386 10 0 DEAERO CO[C@@H](C)[C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000188130455 200198555 /nfs/dbraw/zinc/19/85/55/200198555.db2.gz HRZSMPHKDRILFH-RYUDHWBXSA-N 1 0 311.401 2.110 10 0 DEAERO Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237677816 202326449 /nfs/dbraw/zinc/32/64/49/202326449.db2.gz FDRJHSHGIIUELD-MSOLQXFVSA-N 1 0 316.445 2.455 10 0 DEAERO c1n[nH]cc1C[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000600815989 359835968 /nfs/dbraw/zinc/83/59/68/359835968.db2.gz LYBAUYKZIYTDTH-UHFFFAOYSA-N 1 0 301.390 2.395 10 0 DEAERO Cc1cnccc1CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000190071988 200482883 /nfs/dbraw/zinc/48/28/83/200482883.db2.gz SCEIYSCLAZIHKI-KRWDZBQOSA-N 1 0 312.417 2.492 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000603291728 360779685 /nfs/dbraw/zinc/77/96/85/360779685.db2.gz CFYPAQPXHBUTCF-UHFFFAOYSA-N 1 0 304.369 2.083 10 0 DEAERO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCO2 ZINC000604165057 360887512 /nfs/dbraw/zinc/88/75/12/360887512.db2.gz YPKJDZTTZDNROZ-AAEUAGOBSA-N 1 0 317.389 2.012 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3=Cc4cc(Cl)ccc4OC3)C[C@H]12 ZINC000248626043 283594953 /nfs/dbraw/zinc/59/49/53/283594953.db2.gz ODCPVVXUYRPIOI-WKPIXPDZSA-N 1 0 318.804 2.312 10 0 DEAERO Cc1cc(N(C)C[C@@H]2CCS(=O)(=O)C2)c2ccccc2[nH+]1 ZINC000607148458 361072064 /nfs/dbraw/zinc/07/20/64/361072064.db2.gz SMIJUFNUVWFQLQ-ZDUSSCGKSA-N 1 0 304.415 2.414 10 0 DEAERO c1nc2c(ncnc2N2CCC[C@H]2C[NH+]2CCCC2)n1C1CC1 ZINC000292758167 223232041 /nfs/dbraw/zinc/23/20/41/223232041.db2.gz OCGCTIMOUZMSLB-AWEZNQCLSA-N 1 0 312.421 2.226 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000193397628 201043964 /nfs/dbraw/zinc/04/39/64/201043964.db2.gz LMSGLPLAHWXPDC-WDEREUQCSA-N 1 0 316.492 2.322 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)COCc1ccccc1 ZINC000245590525 202532822 /nfs/dbraw/zinc/53/28/22/202532822.db2.gz GFEISDUORQFBGC-CEXWTWQISA-N 1 0 318.461 2.123 10 0 DEAERO C[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000090900097 192942694 /nfs/dbraw/zinc/94/26/94/192942694.db2.gz WFFXUKWDVCTKCX-MFKMUULPSA-N 1 0 311.223 2.046 10 0 DEAERO C[NH+](C)C1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000620188460 363986886 /nfs/dbraw/zinc/98/68/86/363986886.db2.gz FPKREUKCHAICNW-UHFFFAOYSA-N 1 0 313.401 2.036 10 0 DEAERO CC(=O)c1ccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)s1 ZINC000620964326 364215529 /nfs/dbraw/zinc/21/55/29/364215529.db2.gz XRPJISNLFHIIQC-CYBMUJFWSA-N 1 0 324.446 2.134 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)c2ccccc21 ZINC000621764256 364539019 /nfs/dbraw/zinc/53/90/19/364539019.db2.gz BWYZLMOSMUGUPW-UAGQMJEPSA-N 1 0 300.402 2.377 10 0 DEAERO CC(C)Oc1ncccc1NC(=O)c1csc(CC[NH3+])n1 ZINC000090952504 192964287 /nfs/dbraw/zinc/96/42/87/192964287.db2.gz NWOPMIYMVRPRQM-UHFFFAOYSA-N 1 0 306.391 2.079 10 0 DEAERO Cc1ocnc1C(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275428551 212327898 /nfs/dbraw/zinc/32/78/98/212327898.db2.gz UKDADZBVTSWBKU-CYBMUJFWSA-N 1 0 314.389 2.454 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC12COC2 ZINC000449361711 240399909 /nfs/dbraw/zinc/39/99/09/240399909.db2.gz JQFZUDFTOFPPNN-YUELXQCFSA-N 1 0 319.401 2.415 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+]CC3CCCCC3)C2)ccn1 ZINC000623780108 365172026 /nfs/dbraw/zinc/17/20/26/365172026.db2.gz AKIDRDLJPUYVRC-GOSISDBHSA-N 1 0 303.450 2.452 10 0 DEAERO O=C(C[C@H]1C[NH2+]CCO1)Nc1c2ncsc2ccc1Cl ZINC000091299739 193034806 /nfs/dbraw/zinc/03/48/06/193034806.db2.gz VAAZUWIITZSDPH-QMMMGPOBSA-N 1 0 311.794 2.267 10 0 DEAERO CN(Cc1ccc(Cl)s1)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321253 193040163 /nfs/dbraw/zinc/04/01/63/193040163.db2.gz PPYUKZAXFBHLEP-SNVBAGLBSA-N 1 0 317.886 2.465 10 0 DEAERO COCC[NH2+]Cc1cnn(-c2ccncc2)c1C(F)(F)F ZINC000091337094 193043572 /nfs/dbraw/zinc/04/35/72/193043572.db2.gz JMLTVIWJUIXXEJ-UHFFFAOYSA-N 1 0 300.284 2.022 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000091368921 193047094 /nfs/dbraw/zinc/04/70/94/193047094.db2.gz GTLHJSBPSZVHNC-GXSJLCMTSA-N 1 0 309.460 2.355 10 0 DEAERO Cc1ccccc1[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000091404428 193052325 /nfs/dbraw/zinc/05/23/25/193052325.db2.gz BMAKCHCNSNRVES-WMLDXEAASA-N 1 0 322.474 2.317 10 0 DEAERO OC1CC(C[NH2+]Cc2cc3c(cc2Br)OCO3)C1 ZINC000091415652 193053112 /nfs/dbraw/zinc/05/31/12/193053112.db2.gz FBLXZGLBGYIFNW-UHFFFAOYSA-N 1 0 314.179 2.038 10 0 DEAERO CC[C@](C)([C@@H](Cc1ccncc1Cl)[NH2+]C)N1CCOCC1 ZINC000091612346 193079787 /nfs/dbraw/zinc/07/97/87/193079787.db2.gz DVQIQSGVOIWSFB-HZPDHXFCSA-N 1 0 311.857 2.366 10 0 DEAERO COCC[NH2+]CC[C@](C)(O)Cc1ccc(Br)cc1 ZINC000091520251 193067840 /nfs/dbraw/zinc/06/78/40/193067840.db2.gz GYBRDMWPLKROHZ-AWEZNQCLSA-N 1 0 316.239 2.369 10 0 DEAERO COc1cc(C[NH2+]CC2CC(O)C2)cc(Br)c1O ZINC000091524500 193068969 /nfs/dbraw/zinc/06/89/69/193068969.db2.gz LNWKRSDXYILHMI-UHFFFAOYSA-N 1 0 316.195 2.024 10 0 DEAERO CCN(CC)C(CC)(CC)[C@@H]([NH3+])CCCS(=O)(=O)CC ZINC000091615786 193079331 /nfs/dbraw/zinc/07/93/31/193079331.db2.gz HGOPLHPJAZPOLO-AWEZNQCLSA-N 1 0 306.516 2.429 10 0 DEAERO COc1ccc(C[C@H](O)C[NH2+]C2CC2)cc1Br ZINC000091470177 193060536 /nfs/dbraw/zinc/06/05/36/193060536.db2.gz XAXOLGFSKHMSLL-NSHDSACASA-N 1 0 300.196 2.113 10 0 DEAERO COc1ccc(Br)cc1C[C@@H](O)C[NH2+]C(C)C ZINC000091467844 193060689 /nfs/dbraw/zinc/06/06/89/193060689.db2.gz TUSFCQORAITWQS-GFCCVEGCSA-N 1 0 302.212 2.359 10 0 DEAERO Cc1cc([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)ccc1Br ZINC000091474292 193061453 /nfs/dbraw/zinc/06/14/53/193061453.db2.gz GHIDKBRZSYKJKC-CMPLNLGQSA-N 1 0 318.236 2.192 10 0 DEAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(Br)c(C)c1 ZINC000091475765 193061562 /nfs/dbraw/zinc/06/15/62/193061562.db2.gz RRVUWLFLUCXQDF-ZIAGYGMSSA-N 1 0 313.239 2.349 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Br)cs1 ZINC000624176887 365320568 /nfs/dbraw/zinc/32/05/68/365320568.db2.gz UQPKPXMFEVIANR-GXSJLCMTSA-N 1 0 319.268 2.492 10 0 DEAERO C[C@H]([NH2+]C[C@H]1COCCN1C)c1cc(Br)cs1 ZINC000624176893 365321035 /nfs/dbraw/zinc/32/10/35/365321035.db2.gz UQPKPXMFEVIANR-ONGXEEELSA-N 1 0 319.268 2.492 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)C1(N(C)C)CCCCC1 ZINC000091648107 193084940 /nfs/dbraw/zinc/08/49/40/193084940.db2.gz ORSIKNWGVVUPAS-OAHLLOKOSA-N 1 0 318.527 2.444 10 0 DEAERO CCCc1c(Cl)ncnc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091677235 193088730 /nfs/dbraw/zinc/08/87/30/193088730.db2.gz PQEIFQVIYZGXGP-VXGBXAGGSA-N 1 0 310.829 2.358 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+][C@@H](C3CC3)C3CCC3)C2)ccn1 ZINC000624263647 365360926 /nfs/dbraw/zinc/36/09/26/365360926.db2.gz LWBUXODPSNRSKY-RTBURBONSA-N 1 0 315.461 2.451 10 0 DEAERO C[NH2+][C@@H](Cc1cc(OC)ccc1Br)CN(C)C ZINC000091719668 193097279 /nfs/dbraw/zinc/09/72/79/193097279.db2.gz TVRKMAWAEVQDNP-NSHDSACASA-N 1 0 301.228 2.150 10 0 DEAERO CC(C)(C)[NH2+]CCn1nnnc1SC/C(Cl)=C/Cl ZINC000092026227 193143037 /nfs/dbraw/zinc/14/30/37/193143037.db2.gz LQVUOEABQJZYGL-VURMDHGXSA-N 1 0 310.254 2.472 10 0 DEAERO CCCC1CCC(C[NH3+])([C@@]2(O)CCC[C@@H]2S(C)(=O)=O)CC1 ZINC000091922112 193126971 /nfs/dbraw/zinc/12/69/71/193126971.db2.gz GRAHJYNZUMTMDO-BHDPWAOGSA-N 1 0 317.495 2.250 10 0 DEAERO Clc1ccccc1[C@H](CNC1=[NH+]CCCN1)N1CCCC1 ZINC000624514540 365454252 /nfs/dbraw/zinc/45/42/52/365454252.db2.gz IGSBKIGNQSKQIN-HNNXBMFYSA-N 1 0 306.841 2.416 10 0 DEAERO Cc1cc(C)n2c(CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cnc2n1 ZINC000092043350 193146463 /nfs/dbraw/zinc/14/64/63/193146463.db2.gz ARVZAZJLPXQQJE-WBVHZDCISA-N 1 0 313.449 2.262 10 0 DEAERO C=COCCC[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092049141 193148383 /nfs/dbraw/zinc/14/83/83/193148383.db2.gz BGBXDLBDUKBXLR-UHFFFAOYSA-N 1 0 311.183 2.132 10 0 DEAERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cnns3)C1)CCCC2 ZINC000275329646 212274760 /nfs/dbraw/zinc/27/47/60/212274760.db2.gz PYQCPQHEBAMVSS-LLVKDONJSA-N 1 0 317.418 2.009 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccncc3Br)C[C@@H]21 ZINC000629518865 367231694 /nfs/dbraw/zinc/23/16/94/367231694.db2.gz MKVAHYCLWRSDJT-SCDSUCTJSA-N 1 0 310.239 2.403 10 0 DEAERO CN(Cc1ccncc1Br)[C@H](C[NH3+])C(F)(F)F ZINC000629549874 367244608 /nfs/dbraw/zinc/24/46/08/367244608.db2.gz WQNJQJDRNMYIAZ-SECBINFHSA-N 1 0 312.133 2.166 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000450758102 242183200 /nfs/dbraw/zinc/18/32/00/242183200.db2.gz NMAUGRPATLFISA-ZWKOTPCHSA-N 1 0 306.450 2.073 10 0 DEAERO COC[C@@H]([NH3+])Cc1cn(Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000630587043 367741522 /nfs/dbraw/zinc/74/15/22/367741522.db2.gz VXLJVMDPVXAEQQ-JTQLQIEISA-N 1 0 315.204 2.149 10 0 DEAERO CCCc1nsc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000630527829 367708307 /nfs/dbraw/zinc/70/83/07/367708307.db2.gz WOBFBXVVPXQEAF-BDAKNGLRSA-N 1 0 308.373 2.454 10 0 DEAERO COc1ccc(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1O ZINC000092079288 193155477 /nfs/dbraw/zinc/15/54/77/193155477.db2.gz KZFDSYLXGNWLLG-CQSZACIVSA-N 1 0 320.433 2.086 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c(C)s1 ZINC000092113861 193161464 /nfs/dbraw/zinc/16/14/64/193161464.db2.gz VPBZPRKJHFPIKJ-UWVGGRQHSA-N 1 0 302.465 2.052 10 0 DEAERO C[NH2+]Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092113951 193161550 /nfs/dbraw/zinc/16/15/50/193161550.db2.gz ZYUVRHXWWLUXOS-STQMWFEESA-N 1 0 310.463 2.299 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NCc2cccs2)c(F)c1 ZINC000092115759 193163152 /nfs/dbraw/zinc/16/31/52/193163152.db2.gz LIPVRFZUVZAYLN-UHFFFAOYSA-N 1 0 314.407 2.085 10 0 DEAERO CCC(CC)N(C)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115702 193163368 /nfs/dbraw/zinc/16/33/68/193163368.db2.gz GPMWVLQQYOEBFA-UHFFFAOYSA-N 1 0 302.415 2.354 10 0 DEAERO CCCN(C)S(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1F ZINC000092115613 193163377 /nfs/dbraw/zinc/16/33/77/193163377.db2.gz HZHAXMXAZFXSNH-UHFFFAOYSA-N 1 0 302.415 2.354 10 0 DEAERO C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115974 193164253 /nfs/dbraw/zinc/16/42/53/193164253.db2.gz VRVBLUKWXVQWNH-BXUZGUMPSA-N 1 0 314.426 2.484 10 0 DEAERO Cc1ccc(N(C)S(=O)(=O)c2ccc(C[NH3+])cc2F)cc1 ZINC000092116036 193164447 /nfs/dbraw/zinc/16/44/47/193164447.db2.gz YOOTVPTVKWQRMF-UHFFFAOYSA-N 1 0 308.378 2.418 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1 ZINC000528750882 283998015 /nfs/dbraw/zinc/99/80/15/283998015.db2.gz HSIJKWKEPPYQDV-FJLXXAOWSA-N 1 0 321.417 2.030 10 0 DEAERO CC(=O)c1ccc(NC(=O)C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1 ZINC000528760183 284002882 /nfs/dbraw/zinc/00/28/82/284002882.db2.gz WODNKDHWNTWBQD-PYERRIOISA-N 1 0 304.390 2.229 10 0 DEAERO c1c(C[NH2+]CC2(c3ccccc3)CC2)nnn1C[C@H]1CCOC1 ZINC000631039306 367983052 /nfs/dbraw/zinc/98/30/52/367983052.db2.gz IEBOKSIMYXOZMX-OAHLLOKOSA-N 1 0 312.417 2.136 10 0 DEAERO c1c(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)nnn1C[C@H]1CCOC1 ZINC000631079895 368005684 /nfs/dbraw/zinc/00/56/84/368005684.db2.gz UWKMQVNCWGLWGI-KBRIMQKVSA-N 1 0 304.438 2.373 10 0 DEAERO CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204398 193173134 /nfs/dbraw/zinc/17/31/34/193173134.db2.gz RDRVUHMJKBGXQG-DGCLKSJQSA-N 1 0 309.207 2.311 10 0 DEAERO CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092204400 193173227 /nfs/dbraw/zinc/17/32/27/193173227.db2.gz RDRVUHMJKBGXQG-YPMHNXCESA-N 1 0 309.207 2.311 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)c1 ZINC000631960350 368468142 /nfs/dbraw/zinc/46/81/42/368468142.db2.gz NNJRMLLVTPFJLK-LBPRGKRZSA-N 1 0 300.399 2.026 10 0 DEAERO COCC[NH2+]Cc1nccn1C[C@@H]1Cc2ccccc2S1 ZINC000092268563 193183933 /nfs/dbraw/zinc/18/39/33/193183933.db2.gz BLMRZPSTQOQJJH-AWEZNQCLSA-N 1 0 303.431 2.336 10 0 DEAERO C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261733246 203104754 /nfs/dbraw/zinc/10/47/54/203104754.db2.gz JZDGURURHSCLQR-SOLBZPMBSA-N 1 0 302.418 2.073 10 0 DEAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cccc(Cl)c2)cn1 ZINC000261961548 203161527 /nfs/dbraw/zinc/16/15/27/203161527.db2.gz PPPHNLPITZQPLA-KGLIPLIRSA-N 1 0 304.781 2.015 10 0 DEAERO C[C@H]1CCN(C(=O)c2coc(Br)c2)[C@H](C[NH3+])C1 ZINC000261919863 203152790 /nfs/dbraw/zinc/15/27/90/203152790.db2.gz YQTLRHCUDSBLED-WPRPVWTQSA-N 1 0 301.184 2.242 10 0 DEAERO COCCN([C@@H](C)COC)[C@@H](C[NH3+])c1cc(Cl)cs1 ZINC000093095611 193203538 /nfs/dbraw/zinc/20/35/38/193203538.db2.gz DJCZVQFSAZLMTC-JQWIXIFHSA-N 1 0 306.859 2.385 10 0 DEAERO CCc1ccc([C@H](C)NC(=O)[C@@H](NC)c2cnn(C)c2)cc1 ZINC000262193874 203225271 /nfs/dbraw/zinc/22/52/71/203225271.db2.gz MJBLSIBYSNCVBA-LRDDRELGSA-N 1 0 300.406 2.120 10 0 DEAERO [NH3+]C[C@@H](c1ccc(F)cc1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000093151001 193207844 /nfs/dbraw/zinc/20/78/44/193207844.db2.gz DCTHBOCNRAPMIZ-LSDHHAIUSA-N 1 0 305.374 2.439 10 0 DEAERO CCC(CC)[C@@H](CNC(=O)Nc1cc(COC)ncn1)[NH+](C)C ZINC000093313242 193228626 /nfs/dbraw/zinc/22/86/26/193228626.db2.gz PCMFVLSVGAXEES-CQSZACIVSA-N 1 0 323.441 2.111 10 0 DEAERO CCC(CC)[C@H](CNC(=O)Nc1cc(COC)ncn1)[NH+](C)C ZINC000093313243 193229039 /nfs/dbraw/zinc/22/90/39/193229039.db2.gz PCMFVLSVGAXEES-AWEZNQCLSA-N 1 0 323.441 2.111 10 0 DEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)C[NH2+]CC1CC1 ZINC000262610956 203350252 /nfs/dbraw/zinc/35/02/52/203350252.db2.gz IZSNEFOELUNRDR-UHFFFAOYSA-N 1 0 309.797 2.028 10 0 DEAERO CN(CCc1cccs1)S(=O)(=O)c1ccsc1C[NH3+] ZINC000093294819 193226838 /nfs/dbraw/zinc/22/68/38/193226838.db2.gz PLQVGIXYWIDICI-UHFFFAOYSA-N 1 0 316.473 2.132 10 0 DEAERO Nc1ccc(Br)cc1SCCN1CC[NH2+]CC1 ZINC000093426574 193249516 /nfs/dbraw/zinc/24/95/16/193249516.db2.gz HJSDJGKHKAYWCT-UHFFFAOYSA-N 1 0 316.268 2.029 10 0 DEAERO C[C@@H](C[C@@H]1CCC[NH2+]1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000093463791 193254590 /nfs/dbraw/zinc/25/45/90/193254590.db2.gz PMCLXNSCLREHEJ-QWRGUYRKSA-N 1 0 306.801 2.258 10 0 DEAERO Cn1cc([C@H]2CNC(=[NH2+])N2c2cccc(Br)c2)cn1 ZINC000093387727 193242603 /nfs/dbraw/zinc/24/26/03/193242603.db2.gz ICTQERATHSXBJQ-GFCCVEGCSA-N 1 0 320.194 2.268 10 0 DEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]CC(C)(C)S(C)(=O)=O ZINC000093520711 193262648 /nfs/dbraw/zinc/26/26/48/193262648.db2.gz AZFKDCLDOAXXHZ-OAHLLOKOSA-N 1 0 311.447 2.485 10 0 DEAERO CC(C)(C[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1)S(C)(=O)=O ZINC000093519897 193262686 /nfs/dbraw/zinc/26/26/86/193262686.db2.gz ICAZRESFSXMGOI-LBPRGKRZSA-N 1 0 317.838 2.056 10 0 DEAERO CC(C)CO[C@@H]1C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)C1(C)C ZINC000093523114 193263191 /nfs/dbraw/zinc/26/31/91/193263191.db2.gz YBFZRASWHNNPRH-CHWSQXEVSA-N 1 0 305.484 2.239 10 0 DEAERO CCCCOCCOCC[C@H]1CCC[C@@]1([NH3+])C(=O)OCC ZINC000093618572 193275152 /nfs/dbraw/zinc/27/51/52/193275152.db2.gz OLGWRQUYKUKWGQ-ZBFHGGJFSA-N 1 0 301.427 2.271 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1ccc(OC)cc1 ZINC000093629119 193276545 /nfs/dbraw/zinc/27/65/45/193276545.db2.gz LEWHFQYJNFLKHF-LRDDRELGSA-N 1 0 308.447 2.421 10 0 DEAERO Cc1nn(CC[C@H]2CCC[C@@]2(O)C[NH3+])c(C)c1Br ZINC000093627280 193276726 /nfs/dbraw/zinc/27/67/26/193276726.db2.gz ZTDPSPQIZQBRBD-DGCLKSJQSA-N 1 0 316.243 2.142 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH2+]C)[C@@H](C)OC ZINC000093690234 193289366 /nfs/dbraw/zinc/28/93/66/193289366.db2.gz JJCUBOOLMLQFKE-ZJUUUORDSA-N 1 0 304.232 2.139 10 0 DEAERO Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)c(C)o1 ZINC000093696717 193291666 /nfs/dbraw/zinc/29/16/66/193291666.db2.gz SPPZRNQTXKUWFO-TZMCWYRMSA-N 1 0 314.451 2.219 10 0 DEAERO CCC1CCC([NH3+])(C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093699133 193293206 /nfs/dbraw/zinc/29/32/06/193293206.db2.gz YRIGVFZODMAJEZ-SHARSMKWSA-N 1 0 302.484 2.346 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccsc1 ZINC000093699915 193294046 /nfs/dbraw/zinc/29/40/46/193294046.db2.gz HJXPDFWJILKIOU-AAEUAGOBSA-N 1 0 302.465 2.070 10 0 DEAERO CC[C@@H](C[NH2+]CC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701446 193294604 /nfs/dbraw/zinc/29/46/04/193294604.db2.gz FDUVGQPHNGBDKG-HUUCEWRRSA-N 1 0 304.500 2.320 10 0 DEAERO CC(C)(C)[C@]1(C[C@H]2CCCN(S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000093700697 193294731 /nfs/dbraw/zinc/29/47/31/193294731.db2.gz BGUUGZGLHLVILT-UKRRQHHQSA-N 1 0 302.484 2.216 10 0 DEAERO CC[C@@](C)(C[NH2+]C1CC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701558 193294785 /nfs/dbraw/zinc/29/47/85/193294785.db2.gz HNZDVHPCLVJDRA-UKRRQHHQSA-N 1 0 302.484 2.216 10 0 DEAERO CC[NH2+]C[C@H](CC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701347 193294948 /nfs/dbraw/zinc/29/49/48/193294948.db2.gz MPTPRMCNYFTOLT-LSDHHAIUSA-N 1 0 304.500 2.320 10 0 DEAERO Cc1ccc([C@@H](C[NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093701656 193295125 /nfs/dbraw/zinc/29/51/25/193295125.db2.gz ZCYSRQYKCRMEQQ-GOEBONIOSA-N 1 0 310.463 2.099 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000093739937 193298208 /nfs/dbraw/zinc/29/82/08/193298208.db2.gz LYYNFDLKBGUDHC-KRWDZBQOSA-N 1 0 306.450 2.201 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C/C=C/c2ccccc2OC)CC1 ZINC000093740096 193298749 /nfs/dbraw/zinc/29/87/49/193298749.db2.gz CFLXQNUAEGALFY-DBWMJRBXSA-N 1 0 304.434 2.097 10 0 DEAERO CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H]([N@H+](CC)[C@@H](C)COC)C1 ZINC000093751441 193299191 /nfs/dbraw/zinc/29/91/91/193299191.db2.gz YYMWCFACUIZHEF-OFQRWUPVSA-N 1 0 300.443 2.109 10 0 DEAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H](SC2CCOCC2)C1 ZINC000093779713 193305571 /nfs/dbraw/zinc/30/55/71/193305571.db2.gz MBSLBXUILFTYTN-ZFWWWQNUSA-N 1 0 300.468 2.063 10 0 DEAERO CC(C)[NH2+][C@]1(CO)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000093784227 193307116 /nfs/dbraw/zinc/30/71/16/193307116.db2.gz QMRSQZAYHCVKQH-CHWSQXEVSA-N 1 0 316.243 2.490 10 0 DEAERO CC[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@H]1CN(C)CCN1C ZINC000094009140 193338266 /nfs/dbraw/zinc/33/82/66/193338266.db2.gz MYTSIOIJHPGMTE-GDBMZVCRSA-N 1 0 311.857 2.245 10 0 DEAERO CC[NH2+][C@@]1(C(=O)[O-])CC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093831921 193315012 /nfs/dbraw/zinc/31/50/12/193315012.db2.gz DIKMGXINWOWARH-AAEUAGOBSA-N 1 0 308.344 2.246 10 0 DEAERO Cc1cc(C)n2c(C[N@H+](C)CCc3nccs3)cnc2n1 ZINC000093843913 193317919 /nfs/dbraw/zinc/31/79/19/193317919.db2.gz ODKATBBGANQNAD-UHFFFAOYSA-N 1 0 301.419 2.477 10 0 DEAERO CCN(CC(C)(C)C[NH3+])C(=O)c1cc(Br)c[nH]1 ZINC000093877470 193322507 /nfs/dbraw/zinc/32/25/07/193322507.db2.gz YGQRAYHMSJPSEF-UHFFFAOYSA-N 1 0 302.216 2.224 10 0 DEAERO C[NH2+][C@@H](c1cccc(Cl)c1Cl)[C@H]1CN(C)CCN1C ZINC000093894342 193324155 /nfs/dbraw/zinc/32/41/55/193324155.db2.gz JGHNXRHYDVPCPF-OCCSQVGLSA-N 1 0 302.249 2.500 10 0 DEAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000094023758 193339198 /nfs/dbraw/zinc/33/91/98/193339198.db2.gz ULCMEWULZJERCY-UHFFFAOYSA-N 1 0 320.817 2.099 10 0 DEAERO [NH3+]C1(CC(=O)N[C@@H]2CCC[C@H](OCC(F)(F)F)C2)CCC1 ZINC000094293711 193357054 /nfs/dbraw/zinc/35/70/54/193357054.db2.gz PUFIHBGJLUAOLP-MNOVXSKESA-N 1 0 308.344 2.264 10 0 DEAERO CCC[NH2+][C@@H](CN(C)CCS(C)(=O)=O)c1ccccc1C ZINC000094298431 193357692 /nfs/dbraw/zinc/35/76/92/193357692.db2.gz LYHHRAODIWAJGF-INIZCTEOSA-N 1 0 312.479 2.012 10 0 DEAERO CCC(C)(C)NC(=O)[C@@H](C)Oc1c(F)cc(C[NH3+])cc1F ZINC000094346267 193363146 /nfs/dbraw/zinc/36/31/46/193363146.db2.gz XIMKMOZREDASHD-SECBINFHSA-N 1 0 300.349 2.496 10 0 DEAERO CNC(=O)CCCOc1c(F)cc(C[NH2+]C(C)C)cc1F ZINC000094347364 193363252 /nfs/dbraw/zinc/36/32/52/193363252.db2.gz HFXLQDYCJCZULQ-UHFFFAOYSA-N 1 0 300.349 2.368 10 0 DEAERO CS(=O)(=O)c1ccccc1N(CC1CC[NH2+]CC1)C1CC1 ZINC000094044622 193340685 /nfs/dbraw/zinc/34/06/85/193340685.db2.gz GZFJJNUIQIMHOA-UHFFFAOYSA-N 1 0 308.447 2.059 10 0 DEAERO CC(C)(C(N)=S)[NH+]1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094051959 193341914 /nfs/dbraw/zinc/34/19/14/193341914.db2.gz ARELWMUYXLQREG-UHFFFAOYSA-N 1 0 316.833 2.061 10 0 DEAERO Cc1cc(NC(=O)c2ccc(NN)[nH+]c2)ncc1Br ZINC000094064445 193343002 /nfs/dbraw/zinc/34/30/02/193343002.db2.gz QLTHIWBSJBAFMM-UHFFFAOYSA-N 1 0 322.166 2.085 10 0 DEAERO CC[NH2+][C@H](CS(C)(=O)=O)c1ccc(F)c(Br)c1 ZINC000094097046 193344786 /nfs/dbraw/zinc/34/47/86/193344786.db2.gz NZFUPCIYWRDYDO-LLVKDONJSA-N 1 0 324.215 2.283 10 0 DEAERO CC[C@](C)([NH3+])C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000094237051 193353800 /nfs/dbraw/zinc/35/38/00/193353800.db2.gz WNNVLTZXJNEYFW-ZDUSSCGKSA-N 1 0 304.312 2.371 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@H](Oc2cccc(F)c2C[NH3+])C1 ZINC000094634051 193385683 /nfs/dbraw/zinc/38/56/83/193385683.db2.gz ZEWGEKHWDGMNSA-QWRGUYRKSA-N 1 0 301.383 2.019 10 0 DEAERO Cc1cc(C[NH3+])cc(C)c1O[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094634108 193385703 /nfs/dbraw/zinc/38/57/03/193385703.db2.gz PEUKGEOCCSVEOT-HUUCEWRRSA-N 1 0 311.447 2.497 10 0 DEAERO CC[C@H]([NH3+])c1c(C)nn([C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1C ZINC000094643961 193389473 /nfs/dbraw/zinc/38/94/73/193389473.db2.gz NDEDJLQQHHSTJY-RDBSUJKOSA-N 1 0 313.467 2.438 10 0 DEAERO COc1cc(C[NH3+])cc(Br)c1O[C@@H](C)[C@@H](C)O ZINC000094653058 193390897 /nfs/dbraw/zinc/39/08/97/193390897.db2.gz UGQMLMPJVJXOCU-SFYZADRCSA-N 1 0 304.184 2.065 10 0 DEAERO NC(=S)C1CC[NH+]([C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094376130 193367205 /nfs/dbraw/zinc/36/72/05/193367205.db2.gz BBECGWKROMFNGG-OCCSQVGLSA-N 1 0 300.493 2.039 10 0 DEAERO CCOC(OCC)[C@@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 ZINC000094407978 193367687 /nfs/dbraw/zinc/36/76/87/193367687.db2.gz NIZPOQADUUYHGV-OLZOCXBDSA-N 1 0 303.468 2.405 10 0 DEAERO CC(C)[C@H]1CN(CCCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094420464 193368843 /nfs/dbraw/zinc/36/88/43/193368843.db2.gz SMLYAXAIJHOOGH-OAHLLOKOSA-N 1 0 310.463 2.056 10 0 DEAERO CC[N@H+](CCC(=O)OC)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094410576 193368960 /nfs/dbraw/zinc/36/89/60/193368960.db2.gz MZRRTSMXDVHEQH-CYBMUJFWSA-N 1 0 301.452 2.316 10 0 DEAERO C[C@@H]1C[C@](C[NH3+])(N2CCN(Cc3ccccc3)CC2)CS1 ZINC000094473232 193372481 /nfs/dbraw/zinc/37/24/81/193372481.db2.gz ICTQEYHJDKCYTR-NVXWUHKLSA-N 1 0 305.491 2.027 10 0 DEAERO C[C@@H]1C[C@](C[NH3+])(N2CCN(c3ccccc3F)CC2)CS1 ZINC000094473346 193372625 /nfs/dbraw/zinc/37/26/25/193372625.db2.gz JWAPQTIXNAONTD-CZUORRHYSA-N 1 0 309.454 2.171 10 0 DEAERO [NH3+]C1(c2nc(-c3nc(CCC(F)(F)F)no3)c[nH]2)CCC1 ZINC000094492265 193373317 /nfs/dbraw/zinc/37/33/17/193373317.db2.gz QKPNVSFWGZUTLC-UHFFFAOYSA-N 1 0 301.272 2.293 10 0 DEAERO c1ccc2c(c1)C[NH2+]C[C@H]2c1nc([C@H]2CSCCO2)no1 ZINC000094501789 193374328 /nfs/dbraw/zinc/37/43/28/193374328.db2.gz WKQHFVXXMOCLCI-CHWSQXEVSA-N 1 0 303.387 2.109 10 0 DEAERO CCC[NH2+][C@@H](Cc1ncnn1CCC)[C@@H]1CSCCS1 ZINC000094498979 193374805 /nfs/dbraw/zinc/37/48/05/193374805.db2.gz AKNRXFOUDRSLEH-STQMWFEESA-N 1 0 314.524 2.447 10 0 DEAERO C[NH2+][C@H](Cc1csc2ccccc12)[C@@H]1CN2CCN1CC2 ZINC000094509186 193375153 /nfs/dbraw/zinc/37/51/53/193375153.db2.gz GIDIRLLVWAELTL-CVEARBPZSA-N 1 0 301.459 2.032 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000094548612 193378405 /nfs/dbraw/zinc/37/84/05/193378405.db2.gz VIWKUXJODMVOTM-ZWNOBZJWSA-N 1 0 311.223 2.187 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2cc(Br)ccc2F)C1 ZINC000094549533 193378866 /nfs/dbraw/zinc/37/88/66/193378866.db2.gz MHGCHLRTQBNVRH-WCBMZHEXSA-N 1 0 315.186 2.398 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)Cc2cccc(Br)c2)C1 ZINC000094549430 193378967 /nfs/dbraw/zinc/37/89/67/193378967.db2.gz ZRSGPVHYHQSMLC-MFKMUULPSA-N 1 0 311.223 2.187 10 0 DEAERO CSc1nc2ccc(NC(=O)[C@H]3CC[C@@H](C[NH3+])O3)cc2s1 ZINC000094566064 193380496 /nfs/dbraw/zinc/38/04/96/193380496.db2.gz MBPMPXZCGZOROD-GXSJLCMTSA-N 1 0 323.443 2.463 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)O1 ZINC000094568141 193380730 /nfs/dbraw/zinc/38/07/30/193380730.db2.gz KRUILHFRDDXWQI-LSDHHAIUSA-N 1 0 308.809 2.337 10 0 DEAERO CSc1nc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2s1 ZINC000094566061 193381074 /nfs/dbraw/zinc/38/10/74/193381074.db2.gz MBPMPXZCGZOROD-KOLCDFICSA-N 1 0 323.443 2.463 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1nc2c(Br)cccn2n1 ZINC000094608847 193384417 /nfs/dbraw/zinc/38/44/17/193384417.db2.gz KFURUTCXYZVUBV-ONGXEEELSA-N 1 0 324.226 2.421 10 0 DEAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1nc2ccc(Br)cn2n1 ZINC000094607528 193384485 /nfs/dbraw/zinc/38/44/85/193384485.db2.gz HSQFSOSGZMYDRM-ZJUUUORDSA-N 1 0 310.199 2.174 10 0 DEAERO C[C@H]1CCC[C@H](C[NH3+])N1c1nc2c(Br)cccn2n1 ZINC000094608389 193384517 /nfs/dbraw/zinc/38/45/17/193384517.db2.gz YXFWHASNHHIFRB-VHSXEESVSA-N 1 0 324.226 2.198 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCCN1c1nc2ccc(Br)cn2n1 ZINC000094607984 193384768 /nfs/dbraw/zinc/38/47/68/193384768.db2.gz YPWRAIDNWHOYOJ-GXSJLCMTSA-N 1 0 324.226 2.198 10 0 DEAERO CCC[NH2+][C@H](C)c1cc(F)ccc1O[C@@H]1CCS(=O)(=O)C1 ZINC000094620464 193385073 /nfs/dbraw/zinc/38/50/73/193385073.db2.gz MTPOFSXQGAWRTM-DGCLKSJQSA-N 1 0 315.410 2.452 10 0 DEAERO Cc1cc(F)c([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000094736789 193394119 /nfs/dbraw/zinc/39/41/19/193394119.db2.gz CQNMVLLQCXLLND-MNOVXSKESA-N 1 0 303.374 2.359 10 0 DEAERO CCN1C[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1=O ZINC000453356508 245092529 /nfs/dbraw/zinc/09/25/29/245092529.db2.gz LSKHBCLLHNYORB-USXIJHARSA-N 1 0 302.418 2.365 10 0 DEAERO CCN1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1=O ZINC000453333876 245074787 /nfs/dbraw/zinc/07/47/87/245074787.db2.gz WPDHMXLTVURXCH-CGTJXYLNSA-N 1 0 315.461 2.107 10 0 DEAERO OC1CCN(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000453377359 245109328 /nfs/dbraw/zinc/10/93/28/245109328.db2.gz PVCDGCFEKLOXIN-QFBILLFUSA-N 1 0 318.461 2.201 10 0 DEAERO COc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)n1 ZINC000282591568 217110339 /nfs/dbraw/zinc/11/03/39/217110339.db2.gz CGHXMCZMYPBJEC-LBPRGKRZSA-N 1 0 309.410 2.435 10 0 DEAERO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000020024568 182180268 /nfs/dbraw/zinc/18/02/68/182180268.db2.gz GRALERONTONVCR-RYUDHWBXSA-N 1 0 305.447 2.237 10 0 DEAERO CCSC[C@H]([NH2+]C)c1c(Br)cnn1CCOC ZINC000160047624 197381795 /nfs/dbraw/zinc/38/17/95/197381795.db2.gz BJUYARRPGANCDT-JTQLQIEISA-N 1 0 322.272 2.306 10 0 DEAERO CC[C@H](C)[NH2+]Cc1cc(Br)ccc1OCC(N)=O ZINC000020873076 182250846 /nfs/dbraw/zinc/25/08/46/182250846.db2.gz XDXHBRBHFYDTBU-VIFPVBQESA-N 1 0 315.211 2.201 10 0 DEAERO C[C@H]1CN([C@@H](C[NH3+])c2cc(Br)ccc2F)CCO1 ZINC000022218051 182313802 /nfs/dbraw/zinc/31/38/02/182313802.db2.gz RVBNBQPMPDEYGR-ZANVPECISA-N 1 0 317.202 2.309 10 0 DEAERO CCNc1cc[nH+]c(Cn2cccc(Br)c2=O)c1 ZINC000097911342 193766342 /nfs/dbraw/zinc/76/63/42/193766342.db2.gz RGOMLXBGNYICIU-UHFFFAOYSA-N 1 0 308.179 2.486 10 0 DEAERO CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000267504766 206111683 /nfs/dbraw/zinc/11/16/83/206111683.db2.gz HCJCQKBRHCQDTJ-GDBMZVCRSA-N 1 0 318.417 2.209 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 ZINC000100209420 193797230 /nfs/dbraw/zinc/79/72/30/193797230.db2.gz OXHGQIQVJJYKQL-OTVXOJSOSA-N 1 0 313.405 2.030 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000030568156 182593247 /nfs/dbraw/zinc/59/32/47/182593247.db2.gz VUUYUKJSZWOAOW-CZUORRHYSA-N 1 0 317.433 2.353 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H](C)N1CC[NH+](C)C ZINC000036126281 182805178 /nfs/dbraw/zinc/80/51/78/182805178.db2.gz YNDXUKNDNDEKHH-ZIAGYGMSSA-N 1 0 323.868 2.436 10 0 DEAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457886845 248058981 /nfs/dbraw/zinc/05/89/81/248058981.db2.gz WDDGDRBVBLXQMT-INIZCTEOSA-N 1 0 318.417 2.338 10 0 DEAERO Cc1ccc([C@H](C)CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000458432855 248307386 /nfs/dbraw/zinc/30/73/86/248307386.db2.gz XCYJPLROXDKOBZ-HYVNUMGLSA-N 1 0 301.434 2.444 10 0 DEAERO COc1cccc(CCNC(=O)NC(C)(C)CCC[NH+](C)C)n1 ZINC000458529780 248358033 /nfs/dbraw/zinc/35/80/33/248358033.db2.gz UPKAPAZXLCWIMO-UHFFFAOYSA-N 1 0 322.453 2.052 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1 ZINC000037573488 182909650 /nfs/dbraw/zinc/90/96/50/182909650.db2.gz XXDADYKDJHQJEU-UHFFFAOYSA-N 1 0 310.444 2.288 10 0 DEAERO CCOc1cc(C[NH2+]C)cc(Br)c1OC[C@H](C)O ZINC000037712101 182919195 /nfs/dbraw/zinc/91/91/95/182919195.db2.gz BLJDTAGVACTSLO-VIFPVBQESA-N 1 0 318.211 2.327 10 0 DEAERO CC[NH2+]Cc1cc(Br)c(OC[C@H](C)O)c(OC)c1 ZINC000037711895 182919396 /nfs/dbraw/zinc/91/93/96/182919396.db2.gz HNKMMNVCKQLPRF-VIFPVBQESA-N 1 0 318.211 2.327 10 0 DEAERO O[C@@H](C[NH2+]C[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000038094542 182989340 /nfs/dbraw/zinc/98/93/40/182989340.db2.gz NVLOXKJTRDQWPZ-GWCFXTLKSA-N 1 0 300.196 2.109 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634684 183112495 /nfs/dbraw/zinc/11/24/95/183112495.db2.gz POHFPGXSGYDZFE-MWLCHTKSSA-N 1 0 302.827 2.127 10 0 DEAERO CCn1cc(Br)cc1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000040673768 183116467 /nfs/dbraw/zinc/11/64/67/183116467.db2.gz IYBADZRSTFASJU-NSHDSACASA-N 1 0 314.227 2.095 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(Br)cc2C)C1 ZINC000040629974 183111112 /nfs/dbraw/zinc/11/11/12/183111112.db2.gz PRMDUFBJMLSABK-PWSUYJOCSA-N 1 0 313.195 2.073 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]C[C@@H](O)COc1cccc(Cl)c1 ZINC000040776928 183132251 /nfs/dbraw/zinc/13/22/51/183132251.db2.gz PHAALGXWVSRNQS-UONOGXRCSA-N 1 0 301.814 2.076 10 0 DEAERO COC(=O)c1sccc1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000040832882 183139005 /nfs/dbraw/zinc/13/90/05/183139005.db2.gz KRMDUGLWNIAXGA-LLVKDONJSA-N 1 0 304.371 2.043 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000040850851 183142218 /nfs/dbraw/zinc/14/22/18/183142218.db2.gz HYNYFFDVJNESSD-WPRPVWTQSA-N 1 0 320.723 2.257 10 0 DEAERO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1F ZINC000040746359 183128966 /nfs/dbraw/zinc/12/89/66/183128966.db2.gz APBBSOWOHALRSS-ZACCUICWSA-N 1 0 318.801 2.040 10 0 DEAERO CN(C)Nc1[nH+]cnc(Nc2ccccc2Br)c1N ZINC000040759950 183130697 /nfs/dbraw/zinc/13/06/97/183130697.db2.gz GJDMFPWPXWXYDL-UHFFFAOYSA-N 1 0 323.198 2.453 10 0 DEAERO COCc1c(Br)cccc1NC(=O)C(C)(C)[NH3+] ZINC000040924861 183149262 /nfs/dbraw/zinc/14/92/62/183149262.db2.gz ASDJWWMIRZEVPB-UHFFFAOYSA-N 1 0 301.184 2.271 10 0 DEAERO COc1cc(CN2CCC[C@@H]([NH3+])C2)cc(Br)c1O ZINC000041027549 183157760 /nfs/dbraw/zinc/15/77/60/183157760.db2.gz JEJAUZSISJQWEZ-SNVBAGLBSA-N 1 0 315.211 2.086 10 0 DEAERO COc1cc(C[NH3+])cc(Br)c1OC[C@H]1CCOC1 ZINC000041079320 183164190 /nfs/dbraw/zinc/16/41/90/183164190.db2.gz ARFHGNGCESUOTH-VIFPVBQESA-N 1 0 316.195 2.332 10 0 DEAERO O=S1(=O)CC[C@@H](Nc2c3c([nH+]c4ccccc42)CCC3)C1 ZINC000041473009 183193459 /nfs/dbraw/zinc/19/34/59/183193459.db2.gz AMAIFCSVKHHGRZ-LLVKDONJSA-N 1 0 302.399 2.323 10 0 DEAERO CC(C)CN(CC(C)C)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000042034548 183230428 /nfs/dbraw/zinc/23/04/28/183230428.db2.gz DPWOLCACXBVNPX-UHFFFAOYSA-N 1 0 304.500 2.320 10 0 DEAERO Cc1cccc(C)c1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000041664551 183213813 /nfs/dbraw/zinc/21/38/13/183213813.db2.gz DQCVTIXVRFQLML-OAHLLOKOSA-N 1 0 317.433 2.233 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)Cc2ccc(Cl)cc2Cl)C1 ZINC000042276953 183248794 /nfs/dbraw/zinc/24/87/94/183248794.db2.gz XGQSAZQUGSJYGJ-AAEUAGOBSA-N 1 0 317.216 2.329 10 0 DEAERO CCNC(=O)[C@@H](C)Oc1c(Br)cccc1C[NH2+]C ZINC000042411505 183265223 /nfs/dbraw/zinc/26/52/23/183265223.db2.gz NWGLQBKWBWFQNT-SECBINFHSA-N 1 0 315.211 2.072 10 0 DEAERO CC(C)C[C@@H](C)N(C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042594074 183289301 /nfs/dbraw/zinc/28/93/01/183289301.db2.gz MOZWXXJVNLBVBK-LLVKDONJSA-N 1 0 304.481 2.304 10 0 DEAERO C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000042611502 183291440 /nfs/dbraw/zinc/29/14/40/183291440.db2.gz XQIZHNFVADAVNR-ZYHUDNBSSA-N 1 0 302.465 2.406 10 0 DEAERO CCCN(CC(F)(F)F)S(=O)(=O)c1ccccc1C[NH3+] ZINC000042768575 183306634 /nfs/dbraw/zinc/30/66/34/183306634.db2.gz WBSNYVRCMWNXFS-UHFFFAOYSA-N 1 0 310.341 2.108 10 0 DEAERO CC(C)N(CC(=O)Nc1cccc(C[NH3+])c1)CC(F)(F)F ZINC000042741188 183303533 /nfs/dbraw/zinc/30/35/33/183303533.db2.gz YGMZWHKHTJZPCM-UHFFFAOYSA-N 1 0 303.328 2.357 10 0 DEAERO [NH3+]Cc1cccc(NC(=O)CN(CC(F)(F)F)C2CC2)c1 ZINC000042740752 183303889 /nfs/dbraw/zinc/30/38/89/183303889.db2.gz SILVJPCFWNSVDM-UHFFFAOYSA-N 1 0 301.312 2.111 10 0 DEAERO COc1cccc([C@@H](C[NH3+])N(C)Cc2cscn2)c1OC ZINC000042863799 183315328 /nfs/dbraw/zinc/31/53/28/183315328.db2.gz RFTHMLMSJIDHJC-CYBMUJFWSA-N 1 0 307.419 2.292 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccccc1)N1CCN(c2nccs2)CC1 ZINC000042900909 183317550 /nfs/dbraw/zinc/31/75/50/183317550.db2.gz LZNFHDFWFLMWEV-UKRRQHHQSA-N 1 0 302.447 2.354 10 0 DEAERO COCCN(CCOC)[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042945358 183320111 /nfs/dbraw/zinc/32/01/11/183320111.db2.gz LXOYZUWAVDKHAU-IUODEOHRSA-N 1 0 300.830 2.323 10 0 DEAERO COCCN(C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954366 183322214 /nfs/dbraw/zinc/32/22/14/183322214.db2.gz YKLXJYZCEPAQLP-MFKMUULPSA-N 1 0 301.228 2.416 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCC(C(N)=O)CC1 ZINC000042975092 183325250 /nfs/dbraw/zinc/32/52/50/183325250.db2.gz ICVHTOFLJJWAOJ-HUUCEWRRSA-N 1 0 309.841 2.316 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000043041913 183332128 /nfs/dbraw/zinc/33/21/28/183332128.db2.gz DDWMCIOOSVFYDP-ZDUSSCGKSA-N 1 0 319.405 2.103 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCCC[C@@H]1C(N)=O ZINC000043052365 183332790 /nfs/dbraw/zinc/33/27/90/183332790.db2.gz ZCALABZPAGXTBD-KFWWJZLASA-N 1 0 309.841 2.458 10 0 DEAERO C[N@H+](CCCNC(=O)Nc1nncs1)Cc1ccccc1 ZINC000043130089 183339668 /nfs/dbraw/zinc/33/96/68/183339668.db2.gz ZQYRIGMENATPMF-UHFFFAOYSA-N 1 0 305.407 2.182 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1sccc1C)N1CCC[C@@H]1C(=O)N(C)C ZINC000043248009 183347366 /nfs/dbraw/zinc/34/73/66/183347366.db2.gz CKTDYXVTKLAENH-MCIONIFRSA-N 1 0 309.479 2.388 10 0 DEAERO CCN(CC(=O)N(C)C)[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043252921 183347635 /nfs/dbraw/zinc/34/76/35/183347635.db2.gz ZRKFJTOABHSWAO-NOZJJQNGSA-N 1 0 303.859 2.200 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CCN(C)CC1 ZINC000043258584 183348055 /nfs/dbraw/zinc/34/80/55/183348055.db2.gz BQAMDGSPYVZYIT-CABZTGNLSA-N 1 0 318.284 2.146 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)n1cncn1 ZINC000043263213 183349087 /nfs/dbraw/zinc/34/90/87/183349087.db2.gz PWWMZANEIHLPFL-XCBNKYQSSA-N 1 0 301.213 2.429 10 0 DEAERO CCN(CCO)[C@@H](c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000043286223 183350870 /nfs/dbraw/zinc/35/08/70/183350870.db2.gz YXFRNQXHBIGPFO-LDYMZIIASA-N 1 0 307.257 2.213 10 0 DEAERO [NH3+]C[C@@H](Sc1nc[nH]n1)c1ccc(Br)s1 ZINC000043283323 183350902 /nfs/dbraw/zinc/35/09/02/183350902.db2.gz DJQWVRVGBPZEEA-ZCFIWIBFSA-N 1 0 305.226 2.421 10 0 DEAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043301239 183352732 /nfs/dbraw/zinc/35/27/32/183352732.db2.gz MCAYHRALHRHKHE-IINYFYTJSA-N 1 0 303.374 2.440 10 0 DEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCN(c3nccs3)CC2)o1 ZINC000043363897 183357334 /nfs/dbraw/zinc/35/73/34/183357334.db2.gz WKBGOXIUHLARHJ-JSGCOSHPSA-N 1 0 306.435 2.255 10 0 DEAERO CCOC(=O)[C@@H](c1ccc(Cl)c(F)c1)N1CCC[NH2+]CC1 ZINC000043391089 183358671 /nfs/dbraw/zinc/35/86/71/183358671.db2.gz VWDWINQEVVHNMG-CQSZACIVSA-N 1 0 314.788 2.379 10 0 DEAERO Cc1ccc(C(N)=[NH2+])c(Sc2nnc3n2CCCCC3)n1 ZINC000043401735 183359062 /nfs/dbraw/zinc/35/90/62/183359062.db2.gz BVAAWRDVFDNUFC-UHFFFAOYSA-N 1 0 302.407 2.143 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1Cl ZINC000043090155 183335164 /nfs/dbraw/zinc/33/51/64/183335164.db2.gz ZKXPKFHBOABTDG-MADCSZMMSA-N 1 0 310.810 2.186 10 0 DEAERO COc1cc(C[NH3+])cc(Cl)c1OCCCC(=O)N(C)C ZINC000043447988 183364288 /nfs/dbraw/zinc/36/42/88/183364288.db2.gz JNLBRGQEHYPKRH-UHFFFAOYSA-N 1 0 300.786 2.055 10 0 DEAERO CC[C@@H]([NH3+])Cc1ccc(O[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000043492505 183367401 /nfs/dbraw/zinc/36/74/01/183367401.db2.gz UPWQJIYACBMVLP-NEPJUHHUSA-N 1 0 317.838 2.186 10 0 DEAERO NC(=O)c1ccc(Cl)c(NC(=O)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000043588528 183373900 /nfs/dbraw/zinc/37/39/00/183373900.db2.gz SZIGDTUNKCTVEF-JTQLQIEISA-N 1 0 309.797 2.157 10 0 DEAERO CC(C)C[N@H+](CCC(N)=S)[C@@H](C)C(=O)NC1CCCCC1 ZINC000043418484 183361056 /nfs/dbraw/zinc/36/10/56/183361056.db2.gz RJXKDZGOBDRSAC-ZDUSSCGKSA-N 1 0 313.511 2.458 10 0 DEAERO C[NH2+][C@H](CN(C)CC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000043900634 183388938 /nfs/dbraw/zinc/38/89/38/183388938.db2.gz FZZWYIWURDMRHR-LLVKDONJSA-N 1 0 304.312 2.212 10 0 DEAERO C[C@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)N(C)C ZINC000044317062 183405483 /nfs/dbraw/zinc/40/54/83/183405483.db2.gz HLDTZMUDMFPEIB-ZWNOBZJWSA-N 1 0 301.228 2.022 10 0 DEAERO CC[NH+]1CCC(CN2C(=S)N=NC2c2ccncc2)CC1 ZINC000044526437 183417480 /nfs/dbraw/zinc/41/74/80/183417480.db2.gz AHJOKPMZFJXUFV-UHFFFAOYSA-N 1 0 303.435 2.361 10 0 DEAERO COc1cc(C[NH2+]CC2(O)CCCCC2)cc2c1OCCO2 ZINC000102426239 193887209 /nfs/dbraw/zinc/88/72/09/193887209.db2.gz IGZNPWATUIBXTQ-UHFFFAOYSA-N 1 0 307.390 2.251 10 0 DEAERO Cc1nc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c(C)s1 ZINC000274062167 211320765 /nfs/dbraw/zinc/32/07/65/211320765.db2.gz ROGCGUMLXPDBSO-QWRGUYRKSA-N 1 0 306.391 2.346 10 0 DEAERO COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccccc1C ZINC000105067489 194069277 /nfs/dbraw/zinc/06/92/77/194069277.db2.gz HEWLSMFZMRNMFZ-HNNXBMFYSA-N 1 0 307.438 2.276 10 0 DEAERO O=C(NCCc1ccc(Cl)cc1)N1CCN(C2CC2)CC1 ZINC000105072678 194069388 /nfs/dbraw/zinc/06/93/88/194069388.db2.gz HEZONKXXNHSQGO-UHFFFAOYSA-N 1 0 307.825 2.372 10 0 DEAERO CCn1ccnc1[C@H]([NH2+]CC1=CCCOC1)C1CCOCC1 ZINC000284706010 218141827 /nfs/dbraw/zinc/14/18/27/218141827.db2.gz KFUSVBCBAFOOHD-MRXNPFEDSA-N 1 0 305.422 2.307 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1(O)CCCC1 ZINC000284710916 218143018 /nfs/dbraw/zinc/14/30/18/218143018.db2.gz BOFHKTKKWXAGEV-NVXWUHKLSA-N 1 0 316.445 2.176 10 0 DEAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2ccccc2F)C[C@@H]1CC ZINC000105838270 194144553 /nfs/dbraw/zinc/14/45/53/194144553.db2.gz UWPRQXZOUGFKAF-YJBOKZPZSA-N 1 0 324.440 2.292 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@](C)(CO)C1CCCCC1 ZINC000154031991 284763031 /nfs/dbraw/zinc/76/30/31/284763031.db2.gz JGVLZCXFNMTYMM-YOEHRIQHSA-N 1 0 313.486 2.347 10 0 DEAERO O[C@H](COc1ccccc1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886739 194157676 /nfs/dbraw/zinc/15/76/76/194157676.db2.gz UZHFVTYNUIWKKV-KRWDZBQOSA-N 1 0 315.417 2.035 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCOc1ccc(C)cc1 ZINC000047719908 183603299 /nfs/dbraw/zinc/60/32/99/183603299.db2.gz QYTYUWZEXWVCFV-OAHLLOKOSA-N 1 0 307.438 2.403 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 ZINC000106397716 194205965 /nfs/dbraw/zinc/20/59/65/194205965.db2.gz ZSFCVKWVNNYVJL-MVGZEHJDSA-N 1 0 322.836 2.268 10 0 DEAERO CCN([C@](C)(CC)C[NH3+])S(=O)(=O)c1cc(F)ccc1C ZINC000050093546 183772905 /nfs/dbraw/zinc/77/29/05/183772905.db2.gz CFLMWHANLHUKPD-CQSZACIVSA-N 1 0 302.415 2.272 10 0 DEAERO C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000050163844 183776337 /nfs/dbraw/zinc/77/63/37/183776337.db2.gz NBOBQUGXOZRJKL-MNOVXSKESA-N 1 0 318.389 2.483 10 0 DEAERO CC[C@@H](c1nc(-c2cnn(CC)c2)cs1)N1CC[NH2+]CC1 ZINC000109472650 194266516 /nfs/dbraw/zinc/26/65/16/194266516.db2.gz NYNGCXDOUYFNQW-AWEZNQCLSA-N 1 0 305.451 2.383 10 0 DEAERO CCCC[C@H](CC)C(=O)N1CC[NH+]([C@H](CC)C(N)=S)CC1 ZINC000109461771 194265772 /nfs/dbraw/zinc/26/57/72/194265772.db2.gz GNGWXBRBYBFARS-UONOGXRCSA-N 1 0 313.511 2.412 10 0 DEAERO CCCC[C@@H](CC)C(=O)N1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000109465984 194267049 /nfs/dbraw/zinc/26/70/49/194267049.db2.gz RLLBWEPDYQCJOX-CYBMUJFWSA-N 1 0 313.511 2.412 10 0 DEAERO CC(C)(C(N)=S)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000109471777 194267530 /nfs/dbraw/zinc/26/75/30/194267530.db2.gz UFAKDOTWUVOSOR-UHFFFAOYSA-N 1 0 320.487 2.483 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccccc2F)CC1 ZINC000109753545 194282946 /nfs/dbraw/zinc/28/29/46/194282946.db2.gz STNZIRGLEPVDLZ-QGZVFWFLSA-N 1 0 305.441 2.428 10 0 DEAERO C[C@@H](c1nc2cc(Br)ccc2n1C)N1CC[NH2+]CC1 ZINC000051639983 183833617 /nfs/dbraw/zinc/83/36/17/183833617.db2.gz IZXOKYDNOREXLJ-JTQLQIEISA-N 1 0 323.238 2.302 10 0 DEAERO CCCCOCC[C@@H](C[NH2+]CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000052951139 183881410 /nfs/dbraw/zinc/88/14/10/183881410.db2.gz IYMODQOTYPDOQC-LSDHHAIUSA-N 1 0 305.484 2.244 10 0 DEAERO CCc1nc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cs1 ZINC000110115637 194311742 /nfs/dbraw/zinc/31/17/42/194311742.db2.gz WJLAATAYPGVVKD-MRXNPFEDSA-N 1 0 322.522 2.307 10 0 DEAERO CC(C)C[C@@H](C)OC[C@H](O)C[NH2+]C1(CO)CCC(C)CC1 ZINC000053118338 183888871 /nfs/dbraw/zinc/88/88/71/183888871.db2.gz GOGXJAPUXLLTHB-JCCCHCCOSA-N 1 0 301.471 2.329 10 0 DEAERO CCC(CC)(C(N)=S)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110272741 194318642 /nfs/dbraw/zinc/31/86/42/194318642.db2.gz LUOILTRNHPZNJB-ZDUSSCGKSA-N 1 0 311.495 2.166 10 0 DEAERO C[C@H](C[NH3+])N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000110460717 194332051 /nfs/dbraw/zinc/33/20/51/194332051.db2.gz KACDAEIQTYONEW-GFCCVEGCSA-N 1 0 301.356 2.170 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCNC(=O)C1(C)C ZINC000110653912 194346739 /nfs/dbraw/zinc/34/67/39/194346739.db2.gz APOAYFQFOOCHMP-UONOGXRCSA-N 1 0 309.841 2.329 10 0 DEAERO C[NH2+][C@H](CCN1CCOCC1)c1cccc(Br)c1 ZINC000053937465 183916827 /nfs/dbraw/zinc/91/68/27/183916827.db2.gz PZEVDKKKNHDHFA-CQSZACIVSA-N 1 0 313.239 2.432 10 0 DEAERO CC1(C)Cc2cc(C[NH2+][C@@]3(C)CCS(=O)(=O)C3)ccc2O1 ZINC000110909218 194369380 /nfs/dbraw/zinc/36/93/80/194369380.db2.gz WRNKYXOJURFFQY-INIZCTEOSA-N 1 0 309.431 2.067 10 0 DEAERO COc1ccc(CN(C)[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000110926032 194369831 /nfs/dbraw/zinc/36/98/31/194369831.db2.gz JXYJOVOZSUOOFG-LBPRGKRZSA-N 1 0 300.349 2.480 10 0 DEAERO CCN(CC(=O)Nc1ccccc1SC)[C@H]1CCC[NH2+]C1 ZINC000110944304 194372300 /nfs/dbraw/zinc/37/23/00/194372300.db2.gz PDTWZLJUSNQMKO-ZDUSSCGKSA-N 1 0 307.463 2.421 10 0 DEAERO CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000110941596 194372735 /nfs/dbraw/zinc/37/27/35/194372735.db2.gz ZJAUIEFKINCNMT-NSHDSACASA-N 1 0 320.817 2.242 10 0 DEAERO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(Br)cn1C1CC1 ZINC000054370803 183937347 /nfs/dbraw/zinc/93/73/47/183937347.db2.gz DKDHUZLCXSGXEN-SECBINFHSA-N 1 0 312.211 2.019 10 0 DEAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(S(C)(=O)=O)cc1 ZINC000054627732 183946768 /nfs/dbraw/zinc/94/67/68/183946768.db2.gz UGQDGAZYBAXOAQ-LQDVMPOASA-N 1 0 308.447 2.199 10 0 DEAERO CCOCC[N@H+](CC)CCC[C@@](C)(NC(C)C)C(=O)OC ZINC000111121715 194392015 /nfs/dbraw/zinc/39/20/15/194392015.db2.gz ZCOLUPXKZYAXKH-MRXNPFEDSA-N 1 0 302.459 2.055 10 0 DEAERO C[N@@H+](CC(=O)Nc1ccc(Cl)c(N)c1)C[C@@H]1CCCOC1 ZINC000111155013 194396604 /nfs/dbraw/zinc/39/66/04/194396604.db2.gz CNUUICZFUVDFIS-NSHDSACASA-N 1 0 311.813 2.219 10 0 DEAERO NNc1cc(N2CCCSCC2)nc(-c2ccccc2)[nH+]1 ZINC000159320572 197344859 /nfs/dbraw/zinc/34/48/59/197344859.db2.gz BYUDVZLSAJBDPA-UHFFFAOYSA-N 1 0 301.419 2.373 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1nccs1 ZINC000057205912 184029418 /nfs/dbraw/zinc/02/94/18/184029418.db2.gz QZOJPZOOLOEARW-CYBMUJFWSA-N 1 0 304.419 2.438 10 0 DEAERO Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCNc1cc[nH+]cc1 ZINC000535260796 284888773 /nfs/dbraw/zinc/88/87/73/284888773.db2.gz KERLFVZHNGPDFZ-QGZVFWFLSA-N 1 0 310.401 2.211 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000061270286 184167286 /nfs/dbraw/zinc/16/72/86/184167286.db2.gz QSLUEPXVNBAGOA-SECBINFHSA-N 1 0 305.300 2.349 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Br)cn1 ZINC000061874483 184191681 /nfs/dbraw/zinc/19/16/81/184191681.db2.gz TWPOXQZPULIQNB-LLVKDONJSA-N 1 0 312.211 2.058 10 0 DEAERO CCN(CC)c1nc(Cl)nc(NC[C@H]2CCC[N@@H+]2CC)n1 ZINC000061536833 184172804 /nfs/dbraw/zinc/17/28/04/184172804.db2.gz NWCMWJSFHQZKJK-LLVKDONJSA-N 1 0 312.849 2.267 10 0 DEAERO CC[N@@H+]1CCC[C@@H](Nc2nc(Cl)nc(N3CCCC3)n2)C1 ZINC000061539220 184172892 /nfs/dbraw/zinc/17/28/92/184172892.db2.gz VERNCWOTALNWSA-LLVKDONJSA-N 1 0 310.833 2.021 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)Nc1nc(Cl)nc(N2CCCC2)n1 ZINC000061539161 184173148 /nfs/dbraw/zinc/17/31/48/184173148.db2.gz OFMIEEAPMUJLCD-NSHDSACASA-N 1 0 310.833 2.021 10 0 DEAERO CCn1c(S[C@H](C[NH3+])c2ccc(Cl)s2)n[nH]c1=O ZINC000061594241 184176128 /nfs/dbraw/zinc/17/61/28/184176128.db2.gz SZSODKWLXOTIPV-SSDOTTSWSA-N 1 0 304.828 2.098 10 0 DEAERO CCn1c(S[C@@H](c2cccc(Cl)c2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594444 184176291 /nfs/dbraw/zinc/17/62/91/184176291.db2.gz FOJVBISFTKZYEZ-GZMMTYOYSA-N 1 0 312.826 2.425 10 0 DEAERO CC(C)n1c(S[C@@H](CC(N)=[NH2+])c2ccccc2)n[nH]c1=O ZINC000061595750 184176714 /nfs/dbraw/zinc/17/67/14/184176714.db2.gz KVSRAHWWSLBMJY-NSHDSACASA-N 1 0 305.407 2.312 10 0 DEAERO O=C(c1coc(Br)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604610 184177482 /nfs/dbraw/zinc/17/74/82/184177482.db2.gz TZCDHGJSBOZHRI-UHFFFAOYSA-N 1 0 313.195 2.352 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(Sc2nc(N)cc(=O)[nH]2)c(Cl)c1 ZINC000061700321 184183716 /nfs/dbraw/zinc/18/37/16/184183716.db2.gz CTFRBANSBANCMW-ZETCQYMHSA-N 1 0 310.810 2.437 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Br)cn1 ZINC000061874484 184191348 /nfs/dbraw/zinc/19/13/48/184191348.db2.gz TWPOXQZPULIQNB-NSHDSACASA-N 1 0 312.211 2.058 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cccs1)N1CCN(CC(F)(F)F)CC1 ZINC000061940832 184197386 /nfs/dbraw/zinc/19/73/86/184197386.db2.gz PXQFQVPOAMDEKF-ZYHUDNBSSA-N 1 0 307.385 2.316 10 0 DEAERO CC[NH2+][C@H]1CCCC[C@@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000061947762 184198172 /nfs/dbraw/zinc/19/81/72/184198172.db2.gz WACWTWHFDHFEKA-KGLIPLIRSA-N 1 0 307.404 2.335 10 0 DEAERO COCCCN(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000062029317 184202170 /nfs/dbraw/zinc/20/21/70/184202170.db2.gz DSKLTLJJQIQRPM-ZDUSSCGKSA-N 1 0 301.228 2.417 10 0 DEAERO CCCN1C(=S)N=NC1N1CCC(C[NH+]2CCCC2)CC1 ZINC000062033319 184202198 /nfs/dbraw/zinc/20/21/98/184202198.db2.gz AAACFDHGWDBYDF-UHFFFAOYSA-N 1 0 309.483 2.289 10 0 DEAERO C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000062027811 184202239 /nfs/dbraw/zinc/20/22/39/184202239.db2.gz CFAHPRASBURXFA-RISCZKNCSA-N 1 0 316.854 2.415 10 0 DEAERO C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)C1CC[NH2+]CC1 ZINC000062027820 184202266 /nfs/dbraw/zinc/20/22/66/184202266.db2.gz MENLDMBTQDYGFT-NSHDSACASA-N 1 0 316.854 2.415 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N[C@H](C)Cc1ccc(F)cc1 ZINC000062037928 184202700 /nfs/dbraw/zinc/20/27/00/184202700.db2.gz BSZSIXQPQLFGIN-CYBMUJFWSA-N 1 0 316.442 2.064 10 0 DEAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)CCCOC)c1 ZINC000062037792 184202701 /nfs/dbraw/zinc/20/27/01/184202701.db2.gz XRRYCISDYIRWHC-ZDUSSCGKSA-N 1 0 314.451 2.014 10 0 DEAERO C[NH2+]Cc1cc(Br)cnc1N(C)CCCOC ZINC000062035885 184202854 /nfs/dbraw/zinc/20/28/54/184202854.db2.gz DMXMPJRZHGYOIL-UHFFFAOYSA-N 1 0 302.216 2.036 10 0 DEAERO COCCC[N@H+]1[C@H](C)CN(C(=O)c2ccccc2OC)C[C@@H]1C ZINC000062180883 184214011 /nfs/dbraw/zinc/21/40/11/184214011.db2.gz ZCLWSAZLCVBAST-GASCZTMLSA-N 1 0 320.433 2.267 10 0 DEAERO CN(Cc1nccn1C)[C@@H](C[NH3+])c1ccccc1Br ZINC000062247508 184225287 /nfs/dbraw/zinc/22/52/87/184225287.db2.gz HFSNSTSLRPAFKH-ZDUSSCGKSA-N 1 0 323.238 2.314 10 0 DEAERO CS(=O)(=O)c1ccc([C@H]([NH3+])c2ccc3c(c2)COC3)cc1 ZINC000062332438 184231291 /nfs/dbraw/zinc/23/12/91/184231291.db2.gz QCUUTPGUBOMAPJ-INIZCTEOSA-N 1 0 303.383 2.168 10 0 DEAERO CC[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000062354867 184232277 /nfs/dbraw/zinc/23/22/77/184232277.db2.gz VDBYOAMOQIQKBC-WBVHZDCISA-N 1 0 318.465 2.073 10 0 DEAERO [NH3+]C[C@@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCCCC1 ZINC000062706172 184248765 /nfs/dbraw/zinc/24/87/65/184248765.db2.gz GMBQTWXZZJWJHX-LLVKDONJSA-N 1 0 300.324 2.234 10 0 DEAERO COCC[NH2+]Cc1ccc(OCCCC(=O)OC)c(Cl)c1 ZINC000062730548 184251478 /nfs/dbraw/zinc/25/14/78/184251478.db2.gz DRFRBKZZFLZAJQ-UHFFFAOYSA-N 1 0 315.797 2.408 10 0 DEAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062859438 184256971 /nfs/dbraw/zinc/25/69/71/184256971.db2.gz VZFDUMUUIBFGLC-OAHLLOKOSA-N 1 0 310.419 2.480 10 0 DEAERO C[NH2+][C@H](CCSc1ccc(Br)cc1)C(N)=O ZINC000062596971 184245110 /nfs/dbraw/zinc/24/51/10/184245110.db2.gz PSOLTTXMGGBCJT-SNVBAGLBSA-N 1 0 303.225 2.005 10 0 DEAERO CC[NH2+][C@@](C)(CCCCOc1cccc(F)c1F)C(N)=O ZINC000062653932 184246810 /nfs/dbraw/zinc/24/68/10/184246810.db2.gz OTCCNSIIQMIXEL-HNNXBMFYSA-N 1 0 300.349 2.367 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000063213079 184278338 /nfs/dbraw/zinc/27/83/38/184278338.db2.gz LXQCWGAEQGTUKB-HOTGVXAUSA-N 1 0 308.447 2.114 10 0 DEAERO C[C@H]1[NH2+]CCCN(Cc2ccc(Br)cc2F)C1=O ZINC000063215247 184278763 /nfs/dbraw/zinc/27/87/63/184278763.db2.gz DFQCNLLXSUTPCX-SECBINFHSA-N 1 0 315.186 2.299 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000063213899 184278955 /nfs/dbraw/zinc/27/89/55/184278955.db2.gz MPWRYTIUHHGSFF-DTWKUNHWSA-N 1 0 308.856 2.340 10 0 DEAERO C[C@H]1[NH2+]CCCN(Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000063215231 184278972 /nfs/dbraw/zinc/27/89/72/184278972.db2.gz UJJREIMRRNJHCU-SNVBAGLBSA-N 1 0 302.296 2.296 10 0 DEAERO Nc1ccc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000062984971 184264717 /nfs/dbraw/zinc/26/47/17/184264717.db2.gz QONWCVYJYLRTML-LLVKDONJSA-N 1 0 308.813 2.018 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(N)c(C(F)(F)F)c2)C1 ZINC000062984674 184264797 /nfs/dbraw/zinc/26/47/97/184264797.db2.gz ZTMNEBHAKAGJIX-SNVBAGLBSA-N 1 0 301.312 2.064 10 0 DEAERO C[C@H](CN1CCOCC1)NC1=[NH+][C@@H](c2ccccc2)CS1 ZINC000063002351 184265388 /nfs/dbraw/zinc/26/53/88/184265388.db2.gz LDNXQTGQOLWNRF-UKRRQHHQSA-N 1 0 305.447 2.141 10 0 DEAERO COc1ccc(C[NH2+]C(C)C)c(OCCCS(C)(=O)=O)c1 ZINC000063014423 184266683 /nfs/dbraw/zinc/26/66/83/184266683.db2.gz RZZONXUGLLNUIF-UHFFFAOYSA-N 1 0 315.435 2.007 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000063016757 184266932 /nfs/dbraw/zinc/26/69/32/184266932.db2.gz WBVREYWDGAGZMJ-LLVKDONJSA-N 1 0 306.225 2.274 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1F ZINC000063172362 184276217 /nfs/dbraw/zinc/27/62/17/184276217.db2.gz DPXSCPWPDLDQRT-QWRGUYRKSA-N 1 0 301.159 2.198 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000063175788 184276640 /nfs/dbraw/zinc/27/66/40/184276640.db2.gz KRUMIAREPSYOSA-RKDXNWHRSA-N 1 0 309.218 2.152 10 0 DEAERO C[N@H+](CCNS(=O)(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000065010478 184308663 /nfs/dbraw/zinc/30/86/63/184308663.db2.gz FWVCCOMHLMJCAX-UHFFFAOYSA-N 1 0 314.426 2.369 10 0 DEAERO CSc1ccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000064595798 184301185 /nfs/dbraw/zinc/30/11/85/184301185.db2.gz YOAMVOHOYXPBNW-UHFFFAOYSA-N 1 0 314.476 2.123 10 0 DEAERO CC(C)[NH2+]CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000066215591 184397266 /nfs/dbraw/zinc/39/72/66/184397266.db2.gz IHUNZSAOWJFRMX-UHFFFAOYSA-N 1 0 303.406 2.249 10 0 DEAERO c1cnn(-c2cccc(C[NH2+][C@@H]3CCO[C@]4(CCOC4)C3)c2)c1 ZINC000536403272 284944640 /nfs/dbraw/zinc/94/46/40/284944640.db2.gz UMEAAGWDDDVNKM-SJLPKXTDSA-N 1 0 313.401 2.300 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCc1cccc2c1OCO2 ZINC000184007906 207364693 /nfs/dbraw/zinc/36/46/93/207364693.db2.gz FTIPBLAZOBSMLG-ZDUSSCGKSA-N 1 0 306.406 2.194 10 0 DEAERO CCNC(=O)N1CC[C@@H]([NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000555656874 291801740 /nfs/dbraw/zinc/80/17/40/291801740.db2.gz BWELWSJLNPMTMV-LLVKDONJSA-N 1 0 322.409 2.329 10 0 DEAERO COc1cccc(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000116540530 194754872 /nfs/dbraw/zinc/75/48/72/194754872.db2.gz YBMWDFDBMHRCLW-CQSZACIVSA-N 1 0 322.453 2.256 10 0 DEAERO C[C@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCS1 ZINC000116439239 194748518 /nfs/dbraw/zinc/74/85/18/194748518.db2.gz YNTWADWUSXFJSF-STQMWFEESA-N 1 0 301.500 2.500 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000538315455 285031430 /nfs/dbraw/zinc/03/14/30/285031430.db2.gz IORCXINQPGLICP-CYBMUJFWSA-N 1 0 310.825 2.301 10 0 DEAERO OC1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CCOCC1 ZINC000269974274 208025738 /nfs/dbraw/zinc/02/57/38/208025738.db2.gz PCETTZBDCWPEAQ-DOTOQJQBSA-N 1 0 305.418 2.285 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cccc(Cn2ccnc2)c1 ZINC000270262563 208328324 /nfs/dbraw/zinc/32/83/24/208328324.db2.gz RUHXSZOUQLVGEP-HUUCEWRRSA-N 1 0 312.417 2.096 10 0 DEAERO CN1CCC[C@@H]([N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)C1=O ZINC000539808541 285093661 /nfs/dbraw/zinc/09/36/61/285093661.db2.gz BSJUXOIXGAOOCO-UONOGXRCSA-N 1 0 310.438 2.051 10 0 DEAERO C[C@]1([NH2+]C[C@H](O)COC[C@H]2CCCO2)CCCc2ccccc21 ZINC000539807379 285093144 /nfs/dbraw/zinc/09/31/44/285093144.db2.gz UUGSCWSILHDPDH-SCTDSRPQSA-N 1 0 319.445 2.384 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)c2sc3cccnc3c2N)CC[N@@H+]1C ZINC000159160582 197331807 /nfs/dbraw/zinc/33/18/07/197331807.db2.gz XYIHBEQQYLHICU-ZJUUUORDSA-N 1 0 304.419 2.091 10 0 DEAERO CS(=O)(=O)CCOc1c(Cl)cccc1C[NH2+]C1CC1 ZINC000159226362 197338304 /nfs/dbraw/zinc/33/83/04/197338304.db2.gz JWHPLNWGVXKJEA-UHFFFAOYSA-N 1 0 303.811 2.015 10 0 DEAERO CCCNC(=O)[C@@H](C[NH3+])Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159198354 197335320 /nfs/dbraw/zinc/33/53/20/197335320.db2.gz NORCGTNJACRHER-SNVBAGLBSA-N 1 0 306.303 2.488 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2C[C@H]2C)cc(C[NH2+]C2CC2)c1F ZINC000159108791 197327741 /nfs/dbraw/zinc/32/77/41/197327741.db2.gz MCBCIQUYQJXPOC-OTYXRUKQSA-N 1 0 312.410 2.073 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCCCCC2)cc(C)c1F ZINC000159052320 197322957 /nfs/dbraw/zinc/32/29/57/197322957.db2.gz NPEBZIJVTMPMMR-UHFFFAOYSA-N 1 0 314.426 2.418 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)c2ccccc2)cc(C[NH3+])c1F ZINC000159051207 197322725 /nfs/dbraw/zinc/32/27/25/197322725.db2.gz VWCYZHJDRFVGHN-UHFFFAOYSA-N 1 0 308.378 2.418 10 0 DEAERO COc1cc2c(cc1[C@H](C[NH3+])N1CCSCC1)O[C@H](C)C2 ZINC000159053945 197322417 /nfs/dbraw/zinc/32/24/17/197322417.db2.gz ZNNPURILVWNACL-RISCZKNCSA-N 1 0 308.447 2.067 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000120218224 195121751 /nfs/dbraw/zinc/12/17/51/195121751.db2.gz QKYDHPVQKYOKEH-OAHLLOKOSA-N 1 0 317.433 2.277 10 0 DEAERO CC[C@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1cc(C)ccc1C ZINC000158978423 197316078 /nfs/dbraw/zinc/31/60/78/197316078.db2.gz QXOFNDFUTJUAHG-GJZGRUSLSA-N 1 0 310.463 2.360 10 0 DEAERO COc1ccccc1C[C@@H]([NH3+])c1c(Br)cnn1C ZINC000158864884 197307142 /nfs/dbraw/zinc/30/71/42/197307142.db2.gz BCEHRDVAFIYISH-LLVKDONJSA-N 1 0 310.195 2.434 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)c1cccc(Cl)c1)[C@H]1CCOC1 ZINC000158837256 197305594 /nfs/dbraw/zinc/30/55/94/197305594.db2.gz AMDSBSAHSVKGOZ-FZMZJTMJSA-N 1 0 317.838 2.128 10 0 DEAERO C[C@@H]([NH3+])Cc1ccc(Oc2cccc(S(C)(=O)=O)c2)nc1 ZINC000158820690 197303954 /nfs/dbraw/zinc/30/39/54/197303954.db2.gz FTGCMFCOHQKDLO-LLVKDONJSA-N 1 0 306.387 2.167 10 0 DEAERO O=C1NCCCC[C@@H]1[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000120226737 195123632 /nfs/dbraw/zinc/12/36/32/195123632.db2.gz ZAULRHSNHMTXEP-INIZCTEOSA-N 1 0 306.381 2.338 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)s1 ZINC000158745111 197298091 /nfs/dbraw/zinc/29/80/91/197298091.db2.gz QLJMWCIXFZOIIO-VXGBXAGGSA-N 1 0 314.476 2.278 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)c1ccc(C(C)C)cc1)[C@@H]1CCOC1 ZINC000158713957 197296174 /nfs/dbraw/zinc/29/61/74/197296174.db2.gz DZPAAJDTTDVNRZ-ZBFHGGJFSA-N 1 0 311.447 2.208 10 0 DEAERO CCn1ncc(Br)c1[C@@H](C[C@H]1CCCO1)[NH2+]C ZINC000158642631 197290330 /nfs/dbraw/zinc/29/03/30/197290330.db2.gz CCLYVZPKIDGKAX-MWLCHTKSSA-N 1 0 302.216 2.495 10 0 DEAERO C[NH2+][C@H]1C[C@H](c2ccc(S(=O)(=O)CC(F)F)cc2)[C@@H]1C ZINC000158634066 197289361 /nfs/dbraw/zinc/28/93/61/197289361.db2.gz HBBUQVDGHCDJAJ-XDTLVQLUSA-N 1 0 303.374 2.437 10 0 DEAERO CN(c1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000158497955 197278221 /nfs/dbraw/zinc/27/82/21/197278221.db2.gz SABJTAMKPKLDAA-QWHCGFSZSA-N 1 0 318.389 2.389 10 0 DEAERO CCC[C@@H]([NH3+])CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000158384948 197266936 /nfs/dbraw/zinc/26/69/36/197266936.db2.gz PXCMLIZYWMMRQU-SNVBAGLBSA-N 1 0 310.341 2.111 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000158222605 197254091 /nfs/dbraw/zinc/25/40/91/197254091.db2.gz SEUWYIGGDOBLAS-HUUCEWRRSA-N 1 0 308.447 2.217 10 0 DEAERO CCC[C@@H](C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1)[NH+](C)C ZINC000158071947 197240864 /nfs/dbraw/zinc/24/08/64/197240864.db2.gz UPXIEPRTLRXMOS-DLBZAZTESA-N 1 0 320.433 2.325 10 0 DEAERO CO[C@H](C)c1cccc(NC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000188063933 533115233 /nfs/dbraw/zinc/11/52/33/533115233.db2.gz QBKYJIUDUHXLMN-CQSZACIVSA-N 1 0 321.421 2.238 10 0 DEAERO CCC[C@@H](C(=O)N1CCC[C@H](CCC(=O)OCC)C1)[NH+](C)C ZINC000120304598 195138944 /nfs/dbraw/zinc/13/89/44/195138944.db2.gz OCVBSJPWQUKXHL-CABCVRRESA-N 1 0 312.454 2.299 10 0 DEAERO CCCn1nccc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000120301197 195139526 /nfs/dbraw/zinc/13/95/26/195139526.db2.gz OJCBPOFNVMASIU-UONOGXRCSA-N 1 0 307.442 2.487 10 0 DEAERO CC[C@@H]([NH3+])CNS(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000157600487 197200421 /nfs/dbraw/zinc/20/04/21/197200421.db2.gz AFWGACXWJTYBIS-SECBINFHSA-N 1 0 310.341 2.029 10 0 DEAERO CC[NH2+]Cc1ncnn1Cc1cccc(F)c1Br ZINC000157649042 197204274 /nfs/dbraw/zinc/20/42/74/197204274.db2.gz IMFLSEHIRSYVGD-UHFFFAOYSA-N 1 0 313.174 2.338 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000157432007 197187301 /nfs/dbraw/zinc/18/73/01/197187301.db2.gz FJGHGMPSIVHLKU-MAUKXSAKSA-N 1 0 323.481 2.196 10 0 DEAERO Cc1nc(CN2CCC[N@@H+](Cc3cn(C)nc3C)CC2)cs1 ZINC000157229836 197171739 /nfs/dbraw/zinc/17/17/39/197171739.db2.gz DUDFLLUNSUKVPM-UHFFFAOYSA-N 1 0 319.478 2.201 10 0 DEAERO COc1ccc2[nH]c(=S)n(C[C@H]3CC[N@@H+](C(C)C)C3)c2n1 ZINC000157044372 197158304 /nfs/dbraw/zinc/15/83/04/197158304.db2.gz YFFUXCZIFHMAGF-NSHDSACASA-N 1 0 306.435 2.459 10 0 DEAERO CCC[NH2+]C[C@H](O)COc1ccc(Br)c(C)c1 ZINC000157058782 197158766 /nfs/dbraw/zinc/15/87/66/197158766.db2.gz XPAZOFSJBGJSKH-NSHDSACASA-N 1 0 302.212 2.497 10 0 DEAERO C[C@](O)(Cc1cccc(C(F)(F)F)c1)C[C@H]1COCC[NH2+]1 ZINC000156778260 197140521 /nfs/dbraw/zinc/14/05/21/197140521.db2.gz XODUCFHAOXANQH-KBPBESRZSA-N 1 0 303.324 2.377 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000189706943 533144614 /nfs/dbraw/zinc/14/46/14/533144614.db2.gz ZJQVJRITQTYVLF-KGLIPLIRSA-N 1 0 320.437 2.182 10 0 DEAERO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000156521266 197120168 /nfs/dbraw/zinc/12/01/68/197120168.db2.gz WBOQQHHEQQYYTI-LBPRGKRZSA-N 1 0 312.421 2.277 10 0 DEAERO COC(=O)c1sccc1NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000156124573 197087646 /nfs/dbraw/zinc/08/76/46/197087646.db2.gz ZUDGVJXADCDVGQ-WDEREUQCSA-N 1 0 310.419 2.499 10 0 DEAERO [NH3+]Cc1ccccc1NC(=O)C[S@](=O)c1cccc(F)c1 ZINC000156083419 197085281 /nfs/dbraw/zinc/08/52/81/197085281.db2.gz KKJZHRCFRMHRFY-OAQYLSRUSA-N 1 0 306.362 2.031 10 0 DEAERO Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000156073489 197084122 /nfs/dbraw/zinc/08/41/22/197084122.db2.gz VXHIDWFPBXNBDL-ZDUSSCGKSA-N 1 0 318.465 2.292 10 0 DEAERO Cc1cccc([S@@](=O)CC(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000156023781 197081271 /nfs/dbraw/zinc/08/12/71/197081271.db2.gz MVSVOVQYGVJZQI-OAQYLSRUSA-N 1 0 302.399 2.200 10 0 DEAERO Cc1ccccc1[S@@](=O)CC(=O)Nc1ccccc1C[NH3+] ZINC000156011696 197080038 /nfs/dbraw/zinc/08/00/38/197080038.db2.gz RSCXWZNVYWWOEJ-OAQYLSRUSA-N 1 0 302.399 2.200 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)c1cccc(F)c1Br ZINC000155994609 197079173 /nfs/dbraw/zinc/07/91/73/197079173.db2.gz UCWTWZDYGUWZMX-DTORHVGOSA-N 1 0 315.186 2.411 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)COc1ccc(F)c(Cl)c1 ZINC000155566524 197067725 /nfs/dbraw/zinc/06/77/25/197067725.db2.gz NFKGQAMHNGSZAU-QWRGUYRKSA-N 1 0 314.788 2.409 10 0 DEAERO COc1ccccc1CCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155542792 197064667 /nfs/dbraw/zinc/06/46/67/197064667.db2.gz WAEPZVRPOMQNBT-HOCLYGCPSA-N 1 0 304.434 2.473 10 0 DEAERO CC(C)C(=O)Nc1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1 ZINC000155617708 197071926 /nfs/dbraw/zinc/07/19/26/197071926.db2.gz GJXDQPHHBRGWQR-ZIAGYGMSSA-N 1 0 317.433 2.446 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000155601435 197070743 /nfs/dbraw/zinc/07/07/43/197070743.db2.gz ASRMFCATUIDEHS-KGLIPLIRSA-N 1 0 302.374 2.221 10 0 DEAERO COc1cc(N[C@@H]2CCC[N@H+](CC(C)(C)O)C2)cc(OC)c1 ZINC000155138634 197025611 /nfs/dbraw/zinc/02/56/11/197025611.db2.gz VFSCBPWCVBSTCG-CYBMUJFWSA-N 1 0 308.422 2.351 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154960703 197008244 /nfs/dbraw/zinc/00/82/44/197008244.db2.gz RZKQZWABEBZPPU-HUUCEWRRSA-N 1 0 317.433 2.425 10 0 DEAERO CCc1nn(C)c(Cl)c1C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000154933660 197006646 /nfs/dbraw/zinc/00/66/46/197006646.db2.gz NZSOQOQIXOKOCB-NSHDSACASA-N 1 0 312.845 2.192 10 0 DEAERO CC(C)[C@@H](C)NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000120417021 195162156 /nfs/dbraw/zinc/16/21/56/195162156.db2.gz GNJUEYGFUOTCHN-CQSZACIVSA-N 1 0 307.438 2.471 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccnc2Br)C1 ZINC000120455966 195170454 /nfs/dbraw/zinc/17/04/54/195170454.db2.gz VTHFMXSTHNNOJT-VIFPVBQESA-N 1 0 313.199 2.012 10 0 DEAERO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1cccc(CC)c1 ZINC000120515979 195182157 /nfs/dbraw/zinc/18/21/57/195182157.db2.gz LSVMDYGJNYHXNB-QGZVFWFLSA-N 1 0 306.450 2.265 10 0 DEAERO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C)sc1C ZINC000120547087 195187975 /nfs/dbraw/zinc/18/79/75/195187975.db2.gz QHZQLXCZGGFPGA-UHFFFAOYSA-N 1 0 304.481 2.375 10 0 DEAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2)cc1Br ZINC000120838465 195248278 /nfs/dbraw/zinc/24/82/78/195248278.db2.gz LXAFUZLSAIKFML-LBPRGKRZSA-N 1 0 311.223 2.468 10 0 DEAERO Cc1cc(C)cc(CCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000152835949 196827697 /nfs/dbraw/zinc/82/76/97/196827697.db2.gz YMPBVOBWEKUFIF-DLBZAZTESA-N 1 0 318.461 2.150 10 0 DEAERO COc1ccnc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000271645849 209090392 /nfs/dbraw/zinc/09/03/92/209090392.db2.gz SZJXPZDACDZTBX-CYBMUJFWSA-N 1 0 313.405 2.396 10 0 DEAERO CC[N@@H+]1CCO[C@H]2CN(C(=O)CCc3ccccc3)CC[C@H]2C1 ZINC000249684207 257107364 /nfs/dbraw/zinc/10/73/64/257107364.db2.gz DNDRRGOEUIVJOP-ROUUACIJSA-N 1 0 316.445 2.188 10 0 DEAERO c1cc(C[N@@H+]2C[C@@H](Oc3cccnc3)[C@@H]3OCCC[C@@H]32)co1 ZINC000247925223 257114059 /nfs/dbraw/zinc/11/40/59/257114059.db2.gz ASROFTVAYQWGAI-GVDBMIGSSA-N 1 0 300.358 2.485 10 0 DEAERO COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2ncccn2)cc1 ZINC000247906968 257114408 /nfs/dbraw/zinc/11/44/08/257114408.db2.gz SNFRZFVRRSOOCB-DLBZAZTESA-N 1 0 310.401 2.338 10 0 DEAERO O=C([C@@H]1C[C@@H]2OCC[C@@H]2[N@H+](Cc2cccs2)C1)N1CCCC1 ZINC000247799675 257117300 /nfs/dbraw/zinc/11/73/00/257117300.db2.gz UHEZCHUHJDYQPS-KBMXLJTQSA-N 1 0 320.458 2.350 10 0 DEAERO Cc1nc(CN2C[C@H]3COC[C@@]3(COCC3CC3)C2)cs1 ZINC000503718604 257209013 /nfs/dbraw/zinc/20/90/13/257209013.db2.gz HEZIFFOJIVQCHE-HOCLYGCPSA-N 1 0 308.447 2.327 10 0 DEAERO Cn1cc(C[C@H]2[C@@H]([NH+](C)C)CCN2Cc2cccc(F)c2)cn1 ZINC000503716381 257210113 /nfs/dbraw/zinc/21/01/13/257210113.db2.gz LIZZNAZYSUZLCK-ROUUACIJSA-N 1 0 316.424 2.306 10 0 DEAERO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)[nH]1 ZINC000544597340 285363279 /nfs/dbraw/zinc/36/32/79/285363279.db2.gz BMYJYQXICVKKLA-OAHLLOKOSA-N 1 0 323.404 2.073 10 0 DEAERO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000121854023 195361799 /nfs/dbraw/zinc/36/17/99/195361799.db2.gz XCFIZYGZFYKEAA-RDBSUJKOSA-N 1 0 308.447 2.162 10 0 DEAERO Nc1cc(Br)cc(C(=O)Cc2c[nH+]ccc2N)c1 ZINC000122308992 195432538 /nfs/dbraw/zinc/43/25/38/195432538.db2.gz 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C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCCO[C@H]1C ZINC000253353938 145202102 /nfs/dbraw/zinc/20/21/02/145202102.db2.gz XGKXYEMRBBIDPN-VYDXJSESSA-N 1 0 304.434 2.438 10 0 DEAERO CC1(C)CN(C(=O)c2ccc(Br)o2)CC[C@H]1[NH3+] ZINC000261561102 145208162 /nfs/dbraw/zinc/20/81/62/145208162.db2.gz VCHJDNINSBGFCQ-SECBINFHSA-N 1 0 301.184 2.242 10 0 DEAERO C[NH2+]C1CCN(CC(=O)Nc2cccc3c2N=S=N3)CC1 ZINC000261641611 145212787 /nfs/dbraw/zinc/21/27/87/145212787.db2.gz ISUUQWPHDRYGLW-UHFFFAOYSA-N 1 0 305.407 2.035 10 0 DEAERO Nc1ncc(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)s1 ZINC000261682490 145216115 /nfs/dbraw/zinc/21/61/15/145216115.db2.gz QSHHBKFYAYVNDQ-MRXNPFEDSA-N 1 0 303.431 2.251 10 0 DEAERO [NH3+]C1(c2noc([C@H]3CCCN3C(=O)c3cccs3)n2)CCC1 ZINC000261697396 145217500 /nfs/dbraw/zinc/21/75/00/145217500.db2.gz HXZNJHMMOXRLOE-SNVBAGLBSA-N 1 0 318.402 2.446 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000261716915 145219686 /nfs/dbraw/zinc/21/96/86/145219686.db2.gz JQYZPYRCIPPCBI-HZSPNIEDSA-N 1 0 318.421 2.028 10 0 DEAERO Cc1ccc(OCC(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000261744698 145221820 /nfs/dbraw/zinc/22/18/20/145221820.db2.gz OKJHFHNGZCBBHC-UHFFFAOYSA-N 1 0 312.413 2.404 10 0 DEAERO Cn1c(CN2CC[NH2+]C[C@H]2c2cccnc2)nc2ccccc21 ZINC000261746014 145223011 /nfs/dbraw/zinc/22/30/11/145223011.db2.gz NAPIJKGPAKBDRC-KRWDZBQOSA-N 1 0 307.401 2.115 10 0 DEAERO CN1c2ccc(CN3CC[C@@H]([NH3+])C(C)(C)C3)cc2CCC1=O ZINC000261755489 145223183 /nfs/dbraw/zinc/22/31/83/145223183.db2.gz QNTPNOSCKKKGSA-MRXNPFEDSA-N 1 0 301.434 2.155 10 0 DEAERO Cc1ccc(CSCCNC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261776130 145224711 /nfs/dbraw/zinc/22/47/11/145224711.db2.gz MPVQPOCHGFBHMQ-MRXNPFEDSA-N 1 0 322.474 2.098 10 0 DEAERO CCCn1cc(CN2CC[NH2+]C[C@H]2c2ccccc2OC)cn1 ZINC000261784120 145225938 /nfs/dbraw/zinc/22/59/38/145225938.db2.gz KJWXGORHQKLLDC-KRWDZBQOSA-N 1 0 314.433 2.448 10 0 DEAERO Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261798250 145227246 /nfs/dbraw/zinc/22/72/46/145227246.db2.gz LPBFVBQBFXPPMW-ZYHUDNBSSA-N 1 0 316.430 2.323 10 0 DEAERO Cc1ccc(CNC(=O)[C@@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828760 145231206 /nfs/dbraw/zinc/23/12/06/145231206.db2.gz YNNCOBDBWCEATP-ZBFHGGJFSA-N 1 0 303.450 2.059 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(-n2ccnc2)c1 ZINC000261836523 145231964 /nfs/dbraw/zinc/23/19/64/145231964.db2.gz PEEXBOUCKFGMTH-YSVLISHTSA-N 1 0 312.417 2.425 10 0 DEAERO C[NH2+][C@H](C)Cc1noc([C@@H]2CCCN2C(=O)CC(C)(C)C)n1 ZINC000261831039 145232003 /nfs/dbraw/zinc/23/20/03/145232003.db2.gz REVQQNOMYBCFAO-NEPJUHHUSA-N 1 0 308.426 2.320 10 0 DEAERO [NH3+]C1(C(=O)NCCc2csc3ccccc23)CCOCC1 ZINC000261840893 145232631 /nfs/dbraw/zinc/23/26/31/145232631.db2.gz LRTSBTNSJFXWIG-UHFFFAOYSA-N 1 0 304.415 2.068 10 0 DEAERO COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261859605 145234511 /nfs/dbraw/zinc/23/45/11/145234511.db2.gz OKQVPDFFPQTJFA-RBSFLKMASA-N 1 0 310.438 2.004 10 0 DEAERO Cc1cc(C)cc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261875864 145236297 /nfs/dbraw/zinc/23/62/97/145236297.db2.gz DRJHEZCQNFQIPO-OTWHNJEPSA-N 1 0 318.461 2.429 10 0 DEAERO Fc1cccc(Oc2ccc(CNC3=[NH+]CCCN3)cn2)c1 ZINC000261885174 145237696 /nfs/dbraw/zinc/23/76/96/145237696.db2.gz RSLZUFZJIXBEAI-UHFFFAOYSA-N 1 0 300.337 2.452 10 0 DEAERO [NH3+]C1(c2noc([C@@H]3CCCN3C(=O)c3ccccc3)n2)CCC1 ZINC000261896421 145238729 /nfs/dbraw/zinc/23/87/29/145238729.db2.gz YALJVVYYUDJMRX-ZDUSSCGKSA-N 1 0 312.373 2.385 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)Oc1cccc(F)c1 ZINC000261905703 145240535 /nfs/dbraw/zinc/24/05/35/145240535.db2.gz IEHRVUZYETUZHL-PILAGYSTSA-N 1 0 322.424 2.340 10 0 DEAERO COc1cccc(C[C@H](C)NC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000261929088 145243340 /nfs/dbraw/zinc/24/33/40/145243340.db2.gz KQHQRMIFTLSTMC-BBRMVZONSA-N 1 0 302.418 2.132 10 0 DEAERO C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261937174 145244343 /nfs/dbraw/zinc/24/43/43/145244343.db2.gz JBANHZHBFPSHDB-HIFRSBDPSA-N 1 0 323.481 2.047 10 0 DEAERO C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000261946346 145245704 /nfs/dbraw/zinc/24/57/04/145245704.db2.gz VRBRUMDLCUIXGC-NVQRDWNXSA-N 1 0 316.445 2.439 10 0 DEAERO Clc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261975754 145248345 /nfs/dbraw/zinc/24/83/45/145248345.db2.gz RCCQBNXYKJPPND-BBWFWOEESA-N 1 0 324.852 2.466 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000261971972 145248388 /nfs/dbraw/zinc/24/83/88/145248388.db2.gz QFLHHNLWQNIEBH-YDHLFZDLSA-N 1 0 307.413 2.062 10 0 DEAERO COc1ccc(SCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261977527 145249411 /nfs/dbraw/zinc/24/94/11/145249411.db2.gz LXHZCKWILDQJBL-AWEZNQCLSA-N 1 0 308.447 2.373 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)C1C[NH2+]C1 ZINC000262018166 145253879 /nfs/dbraw/zinc/25/38/79/145253879.db2.gz CQSTWQYNWHMWRU-NSHDSACASA-N 1 0 303.406 2.009 10 0 DEAERO CN(Cc1cnc(N)s1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000262059191 145258559 /nfs/dbraw/zinc/25/85/59/145258559.db2.gz QZIPRNVSRSZSRD-ZFWWWQNUSA-N 1 0 317.462 2.245 10 0 DEAERO C[NH2+]CCC1CCN(C(=O)c2ncccc2OC(C)C)CC1 ZINC000262073324 145259046 /nfs/dbraw/zinc/25/90/46/145259046.db2.gz PPKYOAIBFYVVJM-UHFFFAOYSA-N 1 0 305.422 2.331 10 0 DEAERO CC1(C)CN(C(=O)c2cnc(-c3ccccn3)s2)CC[C@@H]1[NH3+] ZINC000262067795 145259278 /nfs/dbraw/zinc/25/92/78/145259278.db2.gz SDHKHSLXLJEIKW-ZDUSSCGKSA-N 1 0 316.430 2.405 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000262086603 145260358 /nfs/dbraw/zinc/26/03/58/145260358.db2.gz UDGKTOHALCKFRH-MRAWALMUSA-N 1 0 315.417 2.092 10 0 DEAERO CN(C[C@@H](c1cccs1)N1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000262100162 145261432 /nfs/dbraw/zinc/26/14/32/145261432.db2.gz VNDUNXHVQZKWJK-DOTOQJQBSA-N 1 0 323.506 2.053 10 0 DEAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc(C(F)(F)F)ccc1Cl ZINC000262122079 145263999 /nfs/dbraw/zinc/26/39/99/145263999.db2.gz MJCKSHOZSBGZEH-JOYOIKCWSA-N 1 0 308.731 2.029 10 0 DEAERO C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C(F)(F)F ZINC000262126353 145264834 /nfs/dbraw/zinc/26/48/34/145264834.db2.gz CMCKGBDBWGALLF-RTXFEEFZSA-N 1 0 300.324 2.386 10 0 DEAERO COc1ccccc1OCCN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000262151896 145266336 /nfs/dbraw/zinc/26/63/36/145266336.db2.gz GBPQOMSFYBQGNA-MRXNPFEDSA-N 1 0 313.401 2.116 10 0 DEAERO COC[C@H]([NH3+])C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 ZINC000262171349 145267598 /nfs/dbraw/zinc/26/75/98/145267598.db2.gz ATNFAYKWTRPFRS-ZDUSSCGKSA-N 1 0 303.362 2.377 10 0 DEAERO CC(C)(C)NC(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262289949 145273429 /nfs/dbraw/zinc/27/34/29/145273429.db2.gz VWYKBXNLLMWZSR-CQSZACIVSA-N 1 0 309.841 2.201 10 0 DEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cc(Br)c[nH]c2=O)C1 ZINC000262281945 145273490 /nfs/dbraw/zinc/27/34/90/145273490.db2.gz LHPIVIACSHJOOP-CBAPKCEASA-N 1 0 314.183 2.006 10 0 DEAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000262290784 145273696 /nfs/dbraw/zinc/27/36/96/145273696.db2.gz NENWVXPEZVORMD-SNVBAGLBSA-N 1 0 316.323 2.391 10 0 DEAERO CCC[C@@]1(C)CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262322653 145276700 /nfs/dbraw/zinc/27/67/00/145276700.db2.gz RNUZONJIAWRCLY-RYRKJORJSA-N 1 0 318.465 2.152 10 0 DEAERO Cc1ccc([C@H]2CCCN2C(=O)C[C@H]2COCC[NH2+]2)cc1C ZINC000262347975 145277737 /nfs/dbraw/zinc/27/77/37/145277737.db2.gz GCTXOAFJEJHVMY-DLBZAZTESA-N 1 0 302.418 2.345 10 0 DEAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)[C@@H]1CC12CCCCC2 ZINC000262363970 145279152 /nfs/dbraw/zinc/27/91/52/145279152.db2.gz KSFPSJJBOWGLDP-ZDUSSCGKSA-N 1 0 317.437 2.191 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)CC[NH2+]1 ZINC000262378696 145280094 /nfs/dbraw/zinc/28/00/94/145280094.db2.gz NMMWJEFCOAEXCS-OTRWWLKZSA-N 1 0 302.418 2.363 10 0 DEAERO COc1ccc(Cc2noc([C@@H]3CC[C@H]([NH3+])C3)n2)cc1OC ZINC000262390210 145280981 /nfs/dbraw/zinc/28/09/81/145280981.db2.gz ZRUWZJQWCMSUOU-NEPJUHHUSA-N 1 0 303.362 2.272 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc(F)c(F)c1 ZINC000262402167 145281736 /nfs/dbraw/zinc/28/17/36/145281736.db2.gz CKSCIXWNPRZYDK-ZXIHIIQKSA-N 1 0 310.344 2.436 10 0 DEAERO Cc1cccc(N(C)C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000262412810 145282180 /nfs/dbraw/zinc/28/21/80/145282180.db2.gz DHKLPTNHSQISPW-RVKKMQEKSA-N 1 0 302.418 2.490 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1)C1C[NH2+]C1 ZINC000262434361 145283613 /nfs/dbraw/zinc/28/36/13/145283613.db2.gz UDNHZUMGMSONAZ-GFCCVEGCSA-N 1 0 324.384 2.128 10 0 DEAERO C[C@H](NC(=O)CN1CC[C@@H](C)C[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000262457067 145285179 /nfs/dbraw/zinc/28/51/79/145285179.db2.gz IGFWJKTXIBPUOB-WWGRRREGSA-N 1 0 307.413 2.062 10 0 DEAERO Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N2CCC([NH3+])CC2)cc1 ZINC000262492758 145287291 /nfs/dbraw/zinc/28/72/91/145287291.db2.gz ALJXCBFZPXMXRU-DLBZAZTESA-N 1 0 302.418 2.412 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(-c2nnc(C)n2C)c1 ZINC000262509869 145289093 /nfs/dbraw/zinc/28/90/93/145289093.db2.gz AYOQKCBTAKKJHP-QMTHXVAHSA-N 1 0 301.394 2.102 10 0 DEAERO COCC1(CNC(=O)CCc2ccc(C)cc2)CC[NH2+]CC1 ZINC000262544556 145291953 /nfs/dbraw/zinc/29/19/53/145291953.db2.gz RMTJNZXYNQCCTQ-UHFFFAOYSA-N 1 0 304.434 2.060 10 0 DEAERO Cc1ccccc1C1(CNC(=O)[C@@H](C)C2C[NH2+]C2)CCOCC1 ZINC000262555360 145292942 /nfs/dbraw/zinc/29/29/42/145292942.db2.gz PIWHVYHEWLKPET-HNNXBMFYSA-N 1 0 316.445 2.015 10 0 DEAERO Cc1ccccc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262558322 145293091 /nfs/dbraw/zinc/29/30/91/145293091.db2.gz USJKAXYOUUZJNS-HDMKZQKVSA-N 1 0 302.418 2.144 10 0 DEAERO CCc1nc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)sc1C ZINC000262575854 145294455 /nfs/dbraw/zinc/29/44/55/145294455.db2.gz YDGADXMJSPVYBM-KANYHAFZSA-N 1 0 323.462 2.485 10 0 DEAERO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000262576585 145295000 /nfs/dbraw/zinc/29/50/00/145295000.db2.gz YFWFMPFYOADSFR-ZBFHGGJFSA-N 1 0 321.490 2.300 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1cccnc1Nc1ccccc1F)C1CC1 ZINC000262592457 145295754 /nfs/dbraw/zinc/29/57/54/145295754.db2.gz UXKDICIHQSQSNH-OAHLLOKOSA-N 1 0 314.364 2.431 10 0 DEAERO COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000262690789 145300229 /nfs/dbraw/zinc/30/02/29/145300229.db2.gz AGGYHKLSMCLDFN-HZPDHXFCSA-N 1 0 324.465 2.394 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000262765697 145304057 /nfs/dbraw/zinc/30/40/57/145304057.db2.gz KUZHFGYCBKUGGA-WDEREUQCSA-N 1 0 316.492 2.322 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(Cl)cc1F ZINC000262787404 145304798 /nfs/dbraw/zinc/30/47/98/145304798.db2.gz QRIYRDBKKLOHQM-JOYOIKCWSA-N 1 0 320.817 2.064 10 0 DEAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H](O)c1cccc(Cl)c1 ZINC000262903000 145310073 /nfs/dbraw/zinc/31/00/73/145310073.db2.gz DVHKLKNTDDAHEE-DZKIICNBSA-N 1 0 310.825 2.397 10 0 DEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000262988728 145316242 /nfs/dbraw/zinc/31/62/42/145316242.db2.gz NMFOBWWMBMJHIO-FMKPAKJESA-N 1 0 310.825 2.397 10 0 DEAERO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCOc1ccc(F)cc1F ZINC000263216944 145337262 /nfs/dbraw/zinc/33/72/62/145337262.db2.gz LADNMTHTZJYJPS-BLLLJJGKSA-N 1 0 312.360 2.367 10 0 DEAERO C[C@@H](Cc1nc([C@H]2C[NH2+]CCN2C)no1)c1ccc(F)cc1 ZINC000263222500 145337744 /nfs/dbraw/zinc/33/77/44/145337744.db2.gz MCHSZQIDWKMCDH-SMDDNHRTSA-N 1 0 304.369 2.131 10 0 DEAERO Cc1oc2nc(C[N@@H+]3CCC[C@H]3C(C)(C)O)nc(N)c2c1C ZINC000305642826 145344113 /nfs/dbraw/zinc/34/41/13/145344113.db2.gz QVXBATWLWGBBHL-NSHDSACASA-N 1 0 304.394 2.157 10 0 DEAERO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000332730975 145386995 /nfs/dbraw/zinc/38/69/95/145386995.db2.gz UULLYKJMNBTREZ-HOCLYGCPSA-N 1 0 304.438 2.357 10 0 DEAERO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccccc1 ZINC000332988721 145393183 /nfs/dbraw/zinc/39/31/83/145393183.db2.gz HNYXNTJRQQAXIE-CLROSIBMSA-N 1 0 302.418 2.409 10 0 DEAERO CN(CC1(O)CCCCCC1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000342112188 145559860 /nfs/dbraw/zinc/55/98/60/145559860.db2.gz OBDSIPWNTQAERT-CABCVRRESA-N 1 0 311.470 2.196 10 0 DEAERO Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)s1 ZINC000186744093 292150257 /nfs/dbraw/zinc/15/02/57/292150257.db2.gz VRDHDSLGOHQBNA-NSHDSACASA-N 1 0 311.451 2.365 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCOCc1ccc(OC)cc1 ZINC000357169974 147055467 /nfs/dbraw/zinc/05/54/67/147055467.db2.gz CQFYZFMICQSYMB-QGZVFWFLSA-N 1 0 320.433 2.202 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000358525621 147150518 /nfs/dbraw/zinc/15/05/18/147150518.db2.gz VIQOBPPJNAXDKT-HNNXBMFYSA-N 1 0 311.470 2.176 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000358603417 147164352 /nfs/dbraw/zinc/16/43/52/147164352.db2.gz KAHVULVVURLCFE-GJZGRUSLSA-N 1 0 311.470 2.175 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)cc2)c1 ZINC000358686031 147180872 /nfs/dbraw/zinc/18/08/72/147180872.db2.gz SIWDSXGAOFMZMB-GASCZTMLSA-N 1 0 312.417 2.345 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCCc3occc3C2)CC1 ZINC000359188256 147278562 /nfs/dbraw/zinc/27/85/62/147278562.db2.gz DVYHWDWJCSPSKJ-UHFFFAOYSA-N 1 0 303.406 2.389 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)c1scnc1C1CCCC1 ZINC000565511017 292166463 /nfs/dbraw/zinc/16/64/63/292166463.db2.gz LRUBGZSKJKECBF-UHFFFAOYSA-N 1 0 316.430 2.460 10 0 DEAERO COCCN(CC[NH+](C)C)C(=O)Nc1cccc2c1OCCC2 ZINC000370539144 148028327 /nfs/dbraw/zinc/02/83/27/148028327.db2.gz QLWBLYIXKTVCRM-UHFFFAOYSA-N 1 0 321.421 2.054 10 0 DEAERO O=C(N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1(O)CCCC1 ZINC000371570972 148119077 /nfs/dbraw/zinc/11/90/77/148119077.db2.gz JPEHRDDLNMDQPS-INIZCTEOSA-N 1 0 308.466 2.406 10 0 DEAERO CC(C)N(C(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)C(C)C ZINC000375464087 148375869 /nfs/dbraw/zinc/37/58/69/148375869.db2.gz HOCHEHQWCFGHBG-CQSZACIVSA-N 1 0 320.437 2.382 10 0 DEAERO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000407979001 148550792 /nfs/dbraw/zinc/55/07/92/148550792.db2.gz MTDQUMQSFXNXNU-YHUYYLMFSA-N 1 0 323.481 2.011 10 0 DEAERO Cc1nc([C@@H]2CCCN2C(=O)C2CC[NH+](C(C)C)CC2)no1 ZINC000408103006 148563740 /nfs/dbraw/zinc/56/37/40/148563740.db2.gz KBUQBYXDXWSWED-AWEZNQCLSA-N 1 0 306.410 2.162 10 0 DEAERO O=C(CCN1CCO[C@H](c2cccc(O)c2)C1)NC1CCCC1 ZINC000127220281 401725104 /nfs/dbraw/zinc/72/51/04/401725104.db2.gz UDBCACYABZYZCY-KRWDZBQOSA-N 1 0 318.417 2.214 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](C)c2ccccc21 ZINC000111867871 401726236 /nfs/dbraw/zinc/72/62/36/401726236.db2.gz NZKQDGRVKDLPAL-CABCVRRESA-N 1 0 317.433 2.431 10 0 DEAERO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)o1 ZINC000074021221 401728147 /nfs/dbraw/zinc/72/81/47/401728147.db2.gz HLOPSMNCACNPKW-UHFFFAOYSA-N 1 0 315.373 2.148 10 0 DEAERO CCc1cnc(CCNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000074842247 401744975 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CCC[N@H+](CCO)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000076951624 401801773 /nfs/dbraw/zinc/80/17/73/401801773.db2.gz FXNBTRRPRMMPAH-QGZVFWFLSA-N 1 0 320.433 2.063 10 0 DEAERO CC1CC[NH+](CCCCNC(=O)N(C)C[C@@H]2CCCO2)CC1 ZINC000077000706 401802394 /nfs/dbraw/zinc/80/23/94/401802394.db2.gz OLZLZXSLBXOMCZ-INIZCTEOSA-N 1 0 311.470 2.319 10 0 DEAERO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000566128392 292208266 /nfs/dbraw/zinc/20/82/66/292208266.db2.gz BSAJVBVLCPZLGO-XCRHUMRWSA-N 1 0 305.418 2.336 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc2c(s1)CCCC2 ZINC000129521772 401805232 /nfs/dbraw/zinc/80/52/32/401805232.db2.gz QQOLLIHLEPCOTJ-PWSUYJOCSA-N 1 0 306.431 2.425 10 0 DEAERO c1ccc(OCCCC[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129651890 401806776 /nfs/dbraw/zinc/80/67/76/401806776.db2.gz CCJMPUDGJWPLNW-SFHVURJKSA-N 1 0 318.461 2.500 10 0 DEAERO CN1CC[C@H](NC(=O)c2cc[nH]c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127785538 401749708 /nfs/dbraw/zinc/74/97/08/401749708.db2.gz VRNNDRLYFXMITA-GJZGRUSLSA-N 1 0 305.328 2.468 10 0 DEAERO CCOc1ccccc1OCC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000075714513 401766980 /nfs/dbraw/zinc/76/69/80/401766980.db2.gz ZMQKLQVRFSNWED-UONOGXRCSA-N 1 0 306.406 2.050 10 0 DEAERO CCc1cnc(CCNC(=O)NC[C@@H]2CCCC[N@H+]2CC)s1 ZINC000075811049 401769037 /nfs/dbraw/zinc/76/90/37/401769037.db2.gz QVUNFHMGQXVNFO-ZDUSSCGKSA-N 1 0 324.494 2.422 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCCC1=CCCCC1 ZINC000113268339 401773769 /nfs/dbraw/zinc/77/37/69/401773769.db2.gz ANZAHPUUVPHEAO-DOTOQJQBSA-N 1 0 305.466 2.162 10 0 DEAERO COCCOC[C@@H]1CC[N@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000075948914 401774481 /nfs/dbraw/zinc/77/44/81/401774481.db2.gz LKLGQZJFAGCXHU-OAHLLOKOSA-N 1 0 308.422 2.192 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CSCc1cccnc1 ZINC000077730645 401827612 /nfs/dbraw/zinc/82/76/12/401827612.db2.gz MDMBJAAIIHSTFQ-OAHLLOKOSA-N 1 0 309.479 2.407 10 0 DEAERO CCOCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116248707 401847130 /nfs/dbraw/zinc/84/71/30/401847130.db2.gz ZQPPGPKEFGKOBR-DOTOQJQBSA-N 1 0 319.449 2.225 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](C[C@H](O)c3c(F)cccc3F)C2)cn1 ZINC000116317478 401849631 /nfs/dbraw/zinc/84/96/31/401849631.db2.gz PKQGNFLQFQPIDU-NHYWBVRUSA-N 1 0 307.344 2.221 10 0 DEAERO COc1c(C)cnc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1C ZINC000116322880 401850189 /nfs/dbraw/zinc/85/01/89/401850189.db2.gz PTTBLIMIEVBECZ-CQSZACIVSA-N 1 0 300.406 2.430 10 0 DEAERO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116408028 401851957 /nfs/dbraw/zinc/85/19/57/401851957.db2.gz WSUAWUBTVJEETG-QXSJWSMHSA-N 1 0 318.465 2.387 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(F)cccc1Cl ZINC000131620278 401853610 /nfs/dbraw/zinc/85/36/10/401853610.db2.gz OGNGSHZLEFZQSG-JTQLQIEISA-N 1 0 322.833 2.488 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC1CC1 ZINC000116526264 401854178 /nfs/dbraw/zinc/85/41/78/401854178.db2.gz KPLWQFXVQCEJEM-CJNGLKHVSA-N 1 0 302.422 2.001 10 0 DEAERO C[C@@H](OC1CCCCCC1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000131695852 401854878 /nfs/dbraw/zinc/85/48/78/401854878.db2.gz VNVSKPKYCTUEFV-HZPDHXFCSA-N 1 0 324.465 2.047 10 0 DEAERO O=C(c1cccc(-n2cccn2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000116634671 401855986 /nfs/dbraw/zinc/85/59/86/401855986.db2.gz BPDYJQWDDIATCI-KRWDZBQOSA-N 1 0 310.401 2.183 10 0 DEAERO CC[C@@H](CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116787307 401859260 /nfs/dbraw/zinc/85/92/60/401859260.db2.gz PBBVJUOSMPTUHR-RDJZCZTQSA-N 1 0 304.434 2.359 10 0 DEAERO Cc1c2cccc(C)c2oc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116786914 401859423 /nfs/dbraw/zinc/85/94/23/401859423.db2.gz XAPLASPUFZSOFK-CQSZACIVSA-N 1 0 316.401 2.452 10 0 DEAERO CCCC1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000117038508 401867662 /nfs/dbraw/zinc/86/76/62/401867662.db2.gz OIWBDPOJJGCXRS-GPANFISMSA-N 1 0 311.470 2.317 10 0 DEAERO Cc1n[nH]cc1CCCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000132561814 401869341 /nfs/dbraw/zinc/86/93/41/401869341.db2.gz UWSVMNJTLHSWKS-MRXNPFEDSA-N 1 0 321.469 2.070 10 0 DEAERO CC(C)[N@H+](Cc1cc(=O)n2ccccc2n1)C1CCOCC1 ZINC000077356915 401812066 /nfs/dbraw/zinc/81/20/66/401812066.db2.gz WKQLZPNDRYHROZ-UHFFFAOYSA-N 1 0 301.390 2.084 10 0 DEAERO CCC(CC)[NH+]1CCC(n2cc(C(=O)NCC(C)C)nn2)CC1 ZINC000014978141 401814420 /nfs/dbraw/zinc/81/44/20/401814420.db2.gz DBZZTQZZXAVJQU-UHFFFAOYSA-N 1 0 321.469 2.489 10 0 DEAERO CN1CCC[C@@H]1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130034917 401816051 /nfs/dbraw/zinc/81/60/51/401816051.db2.gz ASNVWYRAHLZSNY-LSDHHAIUSA-N 1 0 311.470 2.317 10 0 DEAERO CCC[C@@H](C(=O)NCCCOc1ccc(OC)cc1)[NH+](C)C ZINC000119081729 401924565 /nfs/dbraw/zinc/92/45/65/401924565.db2.gz UFPGRHYTEQYQEE-INIZCTEOSA-N 1 0 308.422 2.311 10 0 DEAERO COC(=O)CCC[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000117335554 401874922 /nfs/dbraw/zinc/87/49/22/401874922.db2.gz NNDDBPWLMZSPMW-UHFFFAOYSA-N 1 0 318.417 2.142 10 0 DEAERO Cc1noc([C@H]2CCCN(CC(=O)N(CC(C)C)C(C)C)C2)n1 ZINC000132858772 401875033 /nfs/dbraw/zinc/87/50/33/401875033.db2.gz AHNMAIGPRZQUKW-HNNXBMFYSA-N 1 0 322.453 2.450 10 0 DEAERO CC(C)Oc1cccnc1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000079531344 401875128 /nfs/dbraw/zinc/87/51/28/401875128.db2.gz XWCHQALZOBJEGV-AWEZNQCLSA-N 1 0 305.422 2.331 10 0 DEAERO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2nc(C)cs2)ncn1 ZINC000117385436 401875728 /nfs/dbraw/zinc/87/57/28/401875728.db2.gz BAAPVCZTACJVKD-GFCCVEGCSA-N 1 0 318.450 2.042 10 0 DEAERO CCCN(CC[NH+](CC)CC)C(=O)Nc1cc(COC)ncn1 ZINC000133320981 401881824 /nfs/dbraw/zinc/88/18/24/401881824.db2.gz JFUZQONXINUSBM-UHFFFAOYSA-N 1 0 323.441 2.209 10 0 DEAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000117756506 401883348 /nfs/dbraw/zinc/88/33/48/401883348.db2.gz DUFYJAJRKFEBMF-CPUCHLNUSA-N 1 0 302.418 2.399 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1cccc2[nH]ccc21 ZINC000080553650 401890486 /nfs/dbraw/zinc/89/04/86/401890486.db2.gz NLNWGKUMHSKQJI-UHFFFAOYSA-N 1 0 301.390 2.010 10 0 DEAERO C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000134449536 401903939 /nfs/dbraw/zinc/90/39/39/401903939.db2.gz VUPSDVOZLFOSEV-WMLDXEAASA-N 1 0 317.433 2.259 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(F)nc1 ZINC000118777741 401907297 /nfs/dbraw/zinc/90/72/97/401907297.db2.gz RBXITLPLMMBRFW-HNNXBMFYSA-N 1 0 301.365 2.123 10 0 DEAERO CCOc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000118808872 401909048 /nfs/dbraw/zinc/90/90/48/401909048.db2.gz JFXOLXLMLNKRCJ-OAHLLOKOSA-N 1 0 321.421 2.188 10 0 DEAERO CSCc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000118817281 401909353 /nfs/dbraw/zinc/90/93/53/401909353.db2.gz OBJIKYGSKOIZIM-HNNXBMFYSA-N 1 0 323.462 2.344 10 0 DEAERO CCc1cc(C)c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000134691985 401911006 /nfs/dbraw/zinc/91/10/06/401911006.db2.gz YNXHVBAUBKUHLK-KBPBESRZSA-N 1 0 308.422 2.380 10 0 DEAERO CC[NH+](CC)CCNCc1cc2cccc3c2n(c1=O)CCC3 ZINC000039287235 401923837 /nfs/dbraw/zinc/92/38/37/401923837.db2.gz BADQKEPHVTYYHJ-UHFFFAOYSA-N 1 0 313.445 2.379 10 0 DEAERO C/C=C/c1ccc(OCC(=O)NCCC[NH+](C)C)c(OC)c1 ZINC000045164433 401954692 /nfs/dbraw/zinc/95/46/92/401954692.db2.gz DSCSUOMHJHFQFB-FNORWQNLSA-N 1 0 306.406 2.175 10 0 DEAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000089637588 401955354 /nfs/dbraw/zinc/95/53/54/401955354.db2.gz CQNSNHCVPHSVGW-VXGBXAGGSA-N 1 0 315.483 2.420 10 0 DEAERO CCOC(=O)CC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000089881116 401969744 /nfs/dbraw/zinc/96/97/44/401969744.db2.gz BTIZDOSZKCBPRW-ZDUSSCGKSA-N 1 0 306.406 2.210 10 0 DEAERO Cc1cnn([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)c1 ZINC000136817319 401974435 /nfs/dbraw/zinc/97/44/35/401974435.db2.gz WLTFOZVQSIKTID-INIZCTEOSA-N 1 0 304.438 2.087 10 0 DEAERO CC(C)N(C(=O)C[NH+]1CCC(Cn2cccn2)CC1)C(C)C ZINC000090473422 401983708 /nfs/dbraw/zinc/98/37/08/401983708.db2.gz PTTQXLNNYJGHGQ-UHFFFAOYSA-N 1 0 306.454 2.241 10 0 DEAERO O=C(CN1CCC(C[NH+]2CCCC2)CC1)NCC1CCCCC1 ZINC000047969510 401991365 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CCC(=O)c1ccc(OCC(=O)NCC[NH+](CC)CC)cc1 ZINC000050119950 402025609 /nfs/dbraw/zinc/02/56/09/402025609.db2.gz VXHKAGPOBRYPKW-UHFFFAOYSA-N 1 0 306.406 2.116 10 0 DEAERO O[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)C[NH+]1CCCCC1 ZINC000151252628 402025898 /nfs/dbraw/zinc/02/58/98/402025898.db2.gz UWNSKTRNUYKDMP-RBUKOAKNSA-N 1 0 302.462 2.444 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2csc(-c3ccco3)n2)C1 ZINC000121451331 402036901 /nfs/dbraw/zinc/03/69/01/402036901.db2.gz OGPADCSSBLXKAA-GFCCVEGCSA-N 1 0 320.418 2.249 10 0 DEAERO CCC[C@@H](C(=O)Nc1nc(Br)ccc1O)[NH+](C)C ZINC000121518563 402041273 /nfs/dbraw/zinc/04/12/73/402041273.db2.gz UKRPUUQKTNJPIB-QMMMGPOBSA-N 1 0 316.199 2.219 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2c(F)cccc2F)C1 ZINC000052553039 402043873 /nfs/dbraw/zinc/04/38/73/402043873.db2.gz GRAAYFVNIGBONR-LBPRGKRZSA-N 1 0 311.376 2.291 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2coc3cc(OC)ccc23)C1 ZINC000121567461 402044740 /nfs/dbraw/zinc/04/47/40/402044740.db2.gz 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C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000123910819 402153687 /nfs/dbraw/zinc/15/36/87/402153687.db2.gz HRYLFGSZDNIEAM-ZDUSSCGKSA-N 1 0 304.415 2.070 10 0 DEAERO Cc1ccccc1CCNC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123975722 402157530 /nfs/dbraw/zinc/15/75/30/402157530.db2.gz NTUCZGYIUSVMCH-AEFFLSMTSA-N 1 0 317.477 2.068 10 0 DEAERO Cc1ccsc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000124498560 402182693 /nfs/dbraw/zinc/18/26/93/402182693.db2.gz DVFHLSSPKLXVND-AWEZNQCLSA-N 1 0 308.447 2.127 10 0 DEAERO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](C)COC)cc2)CC1 ZINC000103430402 402187438 /nfs/dbraw/zinc/18/74/38/402187438.db2.gz PPKJDHUTJNSAPM-OAHLLOKOSA-N 1 0 319.449 2.045 10 0 DEAERO Cc1noc(Cl)c1CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000104125096 402198180 /nfs/dbraw/zinc/19/81/80/402198180.db2.gz XBWYCVHLTNYVLM-UHFFFAOYSA-N 1 0 311.813 2.266 10 0 DEAERO CC[N@H+](CCNC(=O)N[C@H](C)c1ccc2c(c1)OCO2)C1CC1 ZINC000101978156 402159674 /nfs/dbraw/zinc/15/96/74/402159674.db2.gz 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402244488 /nfs/dbraw/zinc/24/44/88/402244488.db2.gz XECOWYNVTJSOQY-GOEBONIOSA-N 1 0 321.465 2.432 10 0 DEAERO COc1ccc2nc(N3CCO[C@H](C[NH+](C)C)C3)ccc2c1 ZINC000108951923 402264996 /nfs/dbraw/zinc/26/49/96/402264996.db2.gz WYAMYKDXTUNKDA-OAHLLOKOSA-N 1 0 301.390 2.010 10 0 DEAERO CC(C)c1ccc(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000155323609 402252602 /nfs/dbraw/zinc/25/26/02/402252602.db2.gz UFYSTZCYWFEVOL-QGZVFWFLSA-N 1 0 319.449 2.011 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(c2nc(C)nc3scc(C)c32)CC1 ZINC000125861732 402254187 /nfs/dbraw/zinc/25/41/87/402254187.db2.gz VVZYTKZPSNYBPM-CYBMUJFWSA-N 1 0 320.462 2.201 10 0 DEAERO [NH3+][C@H]1CCCN(c2ccc(-c3nc(-c4ccccn4)no3)cn2)C1 ZINC000070457832 402261161 /nfs/dbraw/zinc/26/11/61/402261161.db2.gz IZMJKHCCMKHMGU-ZDUSSCGKSA-N 1 0 322.372 2.121 10 0 DEAERO COc1cccc(CO[C@H](C)C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c1 ZINC000155567102 402261298 /nfs/dbraw/zinc/26/12/98/402261298.db2.gz AWOZUKZYEJMTDL-QLFBSQMISA-N 1 0 320.433 2.151 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000154356787 402208090 /nfs/dbraw/zinc/20/80/90/402208090.db2.gz VSRYTVUZNBVQGS-CQSZACIVSA-N 1 0 314.838 2.023 10 0 DEAERO CC(=O)N[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC000068903531 402208574 /nfs/dbraw/zinc/20/85/74/402208574.db2.gz BODDNBONDPUTAG-KRWDZBQOSA-N 1 0 323.481 2.062 10 0 DEAERO CCCC[C@@H](C(=O)OC)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105918310 402211114 /nfs/dbraw/zinc/21/11/14/402211114.db2.gz AQBZMNNTFFNHMQ-HNNXBMFYSA-N 1 0 307.438 2.406 10 0 DEAERO C[N@H+](CCCCCO)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105918119 402211535 /nfs/dbraw/zinc/21/15/35/402211535.db2.gz MRJGYDXCDRYPSV-HNNXBMFYSA-N 1 0 312.479 2.216 10 0 DEAERO CC[NH+]1CCN(CCNC(=O)c2c(C)oc3ccccc32)CC1 ZINC000185060507 402321350 /nfs/dbraw/zinc/32/13/50/402321350.db2.gz OLQJZEJQAKWGSX-UHFFFAOYSA-N 1 0 315.417 2.109 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CSCc1cscn1 ZINC000126168314 402268108 /nfs/dbraw/zinc/26/81/08/402268108.db2.gz WATASHKRNOQXLE-GFCCVEGCSA-N 1 0 315.508 2.469 10 0 DEAERO CCOc1cccnc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000176130079 402281733 /nfs/dbraw/zinc/28/17/33/402281733.db2.gz UNFVTIZTZACPME-AWEZNQCLSA-N 1 0 305.422 2.332 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H]1COc2ccccc2C1 ZINC000176236002 402293267 /nfs/dbraw/zinc/29/32/67/402293267.db2.gz GDQPEALRQMFXAT-CVEARBPZSA-N 1 0 317.433 2.116 10 0 DEAERO COCCCOc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000176282468 402296904 /nfs/dbraw/zinc/29/69/04/402296904.db2.gz ICFPIMBDOMSIEP-INIZCTEOSA-N 1 0 318.417 2.022 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc2c1OCCO2 ZINC000176315985 402298940 /nfs/dbraw/zinc/29/89/40/402298940.db2.gz XCIKFOZZBQPSHG-CYBMUJFWSA-N 1 0 319.405 2.406 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnc(C(F)(F)F)nc1 ZINC000157883883 402299304 /nfs/dbraw/zinc/29/93/04/402299304.db2.gz BCGLXQVVJZNOBN-LLVKDONJSA-N 1 0 316.327 2.052 10 0 DEAERO CC(C)(C)C1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000176340919 402300863 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COC[C@H](C)C[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000187099271 402482175 /nfs/dbraw/zinc/48/21/75/402482175.db2.gz KEIGRVDKWAIAFR-QGZVFWFLSA-N 1 0 318.461 2.436 10 0 DEAERO Cn1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(-c2ccncc2)n1 ZINC000245736700 402483933 /nfs/dbraw/zinc/48/39/33/402483933.db2.gz KYYAMFKBGXWXDA-DOTOQJQBSA-N 1 0 312.417 2.483 10 0 DEAERO COC[C@H](C)C[N@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000187170864 402486703 /nfs/dbraw/zinc/48/67/03/402486703.db2.gz PWFQHJARCVAQNY-MSOLQXFVSA-N 1 0 320.477 2.492 10 0 DEAERO CCc1nn(C)c(CC)c1CN1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000245784897 402487657 /nfs/dbraw/zinc/48/76/57/402487657.db2.gz UZFIOTBRUQQBTP-HNNXBMFYSA-N 1 0 322.497 2.088 10 0 DEAERO COC(=O)c1ccccc1OCC[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187952914 402513455 /nfs/dbraw/zinc/51/34/55/402513455.db2.gz CFUGXAMBRAKDQL-KBXCAEBGSA-N 1 0 321.417 2.335 10 0 DEAERO COc1ccccc1[C@H](C)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245835392 402490897 /nfs/dbraw/zinc/49/08/97/402490897.db2.gz 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C[N@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CCc2ccccc2NC1=O ZINC000248845985 402611183 /nfs/dbraw/zinc/61/11/83/402611183.db2.gz NDVKGIGIBPTYCH-BHYGNILZSA-N 1 0 302.418 2.423 10 0 DEAERO C[C@H]([NH3+])CCC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000248886413 402612881 /nfs/dbraw/zinc/61/28/81/402612881.db2.gz UQPCRZYNJHETRV-MELADBBJSA-N 1 0 305.422 2.366 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(C(C)C)c1C ZINC000180333896 402613217 /nfs/dbraw/zinc/61/32/17/402613217.db2.gz YJFPZJOXXUBTQD-HUUCEWRRSA-N 1 0 304.438 2.471 10 0 DEAERO CC(C)[C@@H](C)CNC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000180461542 402617302 /nfs/dbraw/zinc/61/73/02/402617302.db2.gz VSMHVUJYNJZFGL-DLBZAZTESA-N 1 0 324.513 2.090 10 0 DEAERO CCC[C@H]1CN(Cc2cnn(CCC)c2)CC[N@@H+]1CCOC ZINC000180465607 402617549 /nfs/dbraw/zinc/61/75/49/402617549.db2.gz ZQXKESJIBMSKTP-KRWDZBQOSA-N 1 0 308.470 2.226 10 0 DEAERO CCc1cc(NC(=O)C(=O)NCCC[NH+]2CCCC2)ccc1C ZINC000180483004 402617969 /nfs/dbraw/zinc/61/79/69/402617969.db2.gz JWTZDPYKRLAHPS-UHFFFAOYSA-N 1 0 317.433 2.098 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000171746450 402618084 /nfs/dbraw/zinc/61/80/84/402618084.db2.gz IBZHAVNRLXILJU-UKRRQHHQSA-N 1 0 303.406 2.151 10 0 DEAERO CCC1(CC)CN(C[C@@H](O)Cc2ccccc2)CC[S@@]1=O ZINC000249035719 402618617 /nfs/dbraw/zinc/61/86/17/402618617.db2.gz TZLUANOPIQEHOR-KKSFZXQISA-N 1 0 309.475 2.213 10 0 DEAERO COc1cccc(Cl)c1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000190766571 402621984 /nfs/dbraw/zinc/62/19/84/402621984.db2.gz NPLGXTNDEALEOR-LBPRGKRZSA-N 1 0 323.824 2.338 10 0 DEAERO Cc1ccc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249172949 402622296 /nfs/dbraw/zinc/62/22/96/402622296.db2.gz LQBXBTSGKVXHRK-LSDHHAIUSA-N 1 0 317.433 2.183 10 0 DEAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000249247271 402624090 /nfs/dbraw/zinc/62/40/90/402624090.db2.gz VSRACUNUQWHVPZ-XQQFMLRXSA-N 1 0 306.406 2.412 10 0 DEAERO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000249327558 402626113 /nfs/dbraw/zinc/62/61/13/402626113.db2.gz SOSVFFGYJDBMPV-BNOWGMLFSA-N 1 0 308.809 2.460 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cnc(C(C)(C)C)nc2)C1 ZINC000171318456 402577527 /nfs/dbraw/zinc/57/75/27/402577527.db2.gz OMNMBDSWOMQSBY-GFCCVEGCSA-N 1 0 305.426 2.380 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2cccc3n[nH]nc32)[C@H]1c1ccccc1 ZINC000249453908 402630047 /nfs/dbraw/zinc/63/00/47/402630047.db2.gz CWVIDUBXQWDRBB-DOTOQJQBSA-N 1 0 321.384 2.133 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC/C=C/c1ccccc1 ZINC000171871072 402630318 /nfs/dbraw/zinc/63/03/18/402630318.db2.gz MPFCCUWGXPHMAH-HFTQHKIXSA-N 1 0 317.433 2.110 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)N[C@H]1CCC[C@H]1CCO)c1ccccc1 ZINC000249478196 402630840 /nfs/dbraw/zinc/63/08/40/402630840.db2.gz AMLOAFZLZYTBKI-ULQDDVLXSA-N 1 0 319.449 2.140 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCCO[C@H]1C ZINC000249432345 402629516 /nfs/dbraw/zinc/62/95/16/402629516.db2.gz IUWWAFIGIPZNKV-FZCLSBEQSA-N 1 0 316.445 2.438 10 0 DEAERO Cc1ccccc1CNC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249534754 402633590 /nfs/dbraw/zinc/63/35/90/402633590.db2.gz CCTGEXIOFKZYBH-KDOFPFPSSA-N 1 0 304.434 2.094 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000249529322 402633616 /nfs/dbraw/zinc/63/36/16/402633616.db2.gz WSTUXWWQPXQUHV-FZKCQIBNSA-N 1 0 311.470 2.173 10 0 DEAERO Cc1ccc(CNC(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)cc1 ZINC000249545597 402634139 /nfs/dbraw/zinc/63/41/39/402634139.db2.gz GETFXUVBAZIEMU-CRAIPNDOSA-N 1 0 304.434 2.094 10 0 DEAERO Cn1c(CN2CCC[C@H]2C[NH+]2CCCC2)nnc1C1CCC1 ZINC000181230040 402638703 /nfs/dbraw/zinc/63/87/03/402638703.db2.gz NVYRGVACGLJUEZ-HNNXBMFYSA-N 1 0 303.454 2.143 10 0 DEAERO COC[C@@H](C)C[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000249978293 402643651 /nfs/dbraw/zinc/64/36/51/402643651.db2.gz YKXSLYHCEBAZSL-JKSUJKDBSA-N 1 0 306.450 2.279 10 0 DEAERO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000250096600 402644534 /nfs/dbraw/zinc/64/45/34/402644534.db2.gz QUKRROOPSIORAI-NRUUGDAUSA-N 1 0 314.788 2.361 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000181873808 402659307 /nfs/dbraw/zinc/65/93/07/402659307.db2.gz APAJOGMQEUQRFR-ZIAGYGMSSA-N 1 0 311.470 2.458 10 0 DEAERO CC(C)[C@H](C)CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000172507354 402659635 /nfs/dbraw/zinc/65/96/35/402659635.db2.gz IHXDVKNZECGCOE-OAHLLOKOSA-N 1 0 311.470 2.032 10 0 DEAERO COCCC[NH+]1CCC(NC(=O)N[C@H](C)C2CCCC2)CC1 ZINC000172226180 402646307 /nfs/dbraw/zinc/64/63/07/402646307.db2.gz OYLCFKOBVRFDEH-CQSZACIVSA-N 1 0 311.470 2.365 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC[C@H]1C ZINC000251514667 402647623 /nfs/dbraw/zinc/64/76/23/402647623.db2.gz CHFBVJRUUKWERU-JKIFEVAISA-N 1 0 322.424 2.230 10 0 DEAERO CO[C@@H](C)CCC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000181535448 402648419 /nfs/dbraw/zinc/64/84/19/402648419.db2.gz YHIBMRDMJIBVCL-AWEZNQCLSA-N 1 0 305.422 2.290 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccncc2C)[C@@H](C)C1 ZINC000251714173 402649455 /nfs/dbraw/zinc/64/94/55/402649455.db2.gz KVVCRDCTVGRPAA-HOCLYGCPSA-N 1 0 304.438 2.262 10 0 DEAERO Cc1ccc(OC2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)nc1 ZINC000181554491 402649727 /nfs/dbraw/zinc/64/97/27/402649727.db2.gz LBURTFFXNFDRLF-OAHLLOKOSA-N 1 0 322.449 2.409 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C/C=C/c2ccc(F)cc2)[C@H](C)C1 ZINC000251848529 402649974 /nfs/dbraw/zinc/64/99/74/402649974.db2.gz PLKGDGNLCNHJPM-RYIMYRPNSA-N 1 0 320.408 2.143 10 0 DEAERO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347889 402651813 /nfs/dbraw/zinc/65/18/13/402651813.db2.gz ZBQDDMMCSBMMRK-CVEARBPZSA-N 1 0 307.482 2.336 10 0 DEAERO C[C@H](C(=O)N1CCc2ccccc21)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346496 402651825 /nfs/dbraw/zinc/65/18/25/402651825.db2.gz ZZTZZICEESEVSM-OAHLLOKOSA-N 1 0 313.445 2.134 10 0 DEAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)N(C1CC1)C1CCCC1 ZINC000172345849 402651870 /nfs/dbraw/zinc/65/18/70/402651870.db2.gz XRINPBYKQMOGQE-UHFFFAOYSA-N 1 0 305.466 2.090 10 0 DEAERO COC(=O)[C@@H]1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000173626546 402705345 /nfs/dbraw/zinc/70/53/45/402705345.db2.gz HZZLPVHIPZHISR-CYBMUJFWSA-N 1 0 317.364 2.396 10 0 DEAERO COCC(C)(C)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000173640075 402706331 /nfs/dbraw/zinc/70/63/31/402706331.db2.gz QXJOLAOAXIVOOV-INIZCTEOSA-N 1 0 320.433 2.373 10 0 DEAERO CSc1ccc(OCC[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173947500 402721192 /nfs/dbraw/zinc/72/11/92/402721192.db2.gz DLTFWBQPWNUUKP-HNNXBMFYSA-N 1 0 322.474 2.194 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)c1ncc(F)cc1F)c1ccccc1 ZINC000192094939 402710798 /nfs/dbraw/zinc/71/07/98/402710798.db2.gz UQWSTLQZYGHVBY-CQSZACIVSA-N 1 0 305.328 2.393 10 0 DEAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCc2ccc(O)cc2C1 ZINC000262036423 402721566 /nfs/dbraw/zinc/72/15/66/402721566.db2.gz ZQAJKXLYQTYYDK-XKQJLSEDSA-N 1 0 300.402 2.198 10 0 DEAERO Cc1cc(N2CC[C@H]([NH+]3CCC(C(C)C)CC3)C2=O)n(C)n1 ZINC000173861177 402715985 /nfs/dbraw/zinc/71/59/85/402715985.db2.gz HMYVTPQRCWNZLU-HNNXBMFYSA-N 1 0 304.438 2.202 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1F ZINC000173886959 402717008 /nfs/dbraw/zinc/71/70/08/402717008.db2.gz QYVLIGPGVSIANE-SWLSCSKDSA-N 1 0 314.426 2.141 10 0 DEAERO COC(=O)c1ccc(Cl)c(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000181918298 402661289 /nfs/dbraw/zinc/66/12/89/402661289.db2.gz FKZZCJKKSYJXHJ-ZYHUDNBSSA-N 1 0 324.808 2.212 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000253072659 402661920 /nfs/dbraw/zinc/66/19/20/402661920.db2.gz OFUOZBBBSVRTFO-DUVNUKRYSA-N 1 0 313.825 2.232 10 0 DEAERO CO[C@@H](C)C[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000182036096 402664684 /nfs/dbraw/zinc/66/46/84/402664684.db2.gz ACQLWBMKLOQJQM-AWEZNQCLSA-N 1 0 312.841 2.371 10 0 DEAERO CC[C@@H](C(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000172744530 402672946 /nfs/dbraw/zinc/67/29/46/402672946.db2.gz YABHNLZFCZZQTK-DLBZAZTESA-N 1 0 302.418 2.113 10 0 DEAERO CCCOc1nc(C)ccc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000191482692 402673132 /nfs/dbraw/zinc/67/31/32/402673132.db2.gz TZKGBUMFHDKLAA-CQSZACIVSA-N 1 0 305.422 2.250 10 0 DEAERO CC1(C)CN(CCNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCO1 ZINC000172889200 402678892 /nfs/dbraw/zinc/67/88/92/402678892.db2.gz BSCCFGATWQXTFM-HZPDHXFCSA-N 1 0 308.466 2.430 10 0 DEAERO CCn1ccnc1CS(=O)(=O)CCCc1ccccc1OC ZINC000182362343 402684226 /nfs/dbraw/zinc/68/42/26/402684226.db2.gz CBUBBZBPYGYEEE-UHFFFAOYSA-N 1 0 322.430 2.459 10 0 DEAERO Cn1nnc2ccc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cc21 ZINC000182372774 402684445 /nfs/dbraw/zinc/68/44/45/402684445.db2.gz JJWCIGXFURDXTG-INIZCTEOSA-N 1 0 323.400 2.001 10 0 DEAERO Cc1ccc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)s1 ZINC000173279293 402690825 /nfs/dbraw/zinc/69/08/25/402690825.db2.gz MANCXYNYYHSKOL-HNNXBMFYSA-N 1 0 321.490 2.299 10 0 DEAERO Cc1cccc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)c1 ZINC000173288879 402691293 /nfs/dbraw/zinc/69/12/93/402691293.db2.gz HKWZQGTUXNXYAL-GOSISDBHSA-N 1 0 315.461 2.237 10 0 DEAERO COCc1ccsc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000182475959 402692704 /nfs/dbraw/zinc/69/27/04/402692704.db2.gz VKPCYDOVUJGXMZ-OCCSQVGLSA-N 1 0 308.447 2.451 10 0 DEAERO COCC[NH+]1CCC(NC(=O)NC2CCC(C)(C)CC2)CC1 ZINC000173398928 402696199 /nfs/dbraw/zinc/69/61/99/402696199.db2.gz JLNOPTCUPNRQOH-UHFFFAOYSA-N 1 0 311.470 2.365 10 0 DEAERO Cc1cc2c(cc1C)O[C@H](C(=O)N1C[C@H]3CCC[N@H+]3C[C@@H]1C)C2 ZINC000173439261 402697262 /nfs/dbraw/zinc/69/72/62/402697262.db2.gz KYTLEDRGIZDUEO-LESCRADOSA-N 1 0 314.429 2.302 10 0 DEAERO Cc1cccc2c1OCC[C@H]2NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000191908970 402698010 /nfs/dbraw/zinc/69/80/10/402698010.db2.gz HPZFIZVTCWLAKE-GOEBONIOSA-N 1 0 315.417 2.308 10 0 DEAERO CN1CC[N@H+](CCCNCc2cocn2)[C@H](c2ccccc2)C1 ZINC000192284992 402720781 /nfs/dbraw/zinc/72/07/81/402720781.db2.gz XWQLCKZFYOHMOG-SFHVURJKSA-N 1 0 314.433 2.143 10 0 DEAERO Cc1ncc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000182570864 402700504 /nfs/dbraw/zinc/70/05/04/402700504.db2.gz HVNKZIBPFCMDAD-XYPWUTKMSA-N 1 0 320.506 2.194 10 0 DEAERO C[NH2+]CC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000262762190 402730443 /nfs/dbraw/zinc/73/04/43/402730443.db2.gz JPMJOHRPPWUDTH-OAHLLOKOSA-N 1 0 303.793 2.354 10 0 DEAERO CC[C@H](CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000174304901 402735620 /nfs/dbraw/zinc/73/56/20/402735620.db2.gz HIPCGSCRUCBZRJ-BRWVUGGUSA-N 1 0 318.461 2.484 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000262923413 402736591 /nfs/dbraw/zinc/73/65/91/402736591.db2.gz ZMTRIUJSOPOBNE-SCDSUCTJSA-N 1 0 308.809 2.005 10 0 DEAERO CCc1ccc(CCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000174349930 402737209 /nfs/dbraw/zinc/73/72/09/402737209.db2.gz UISCEWXXPXWADL-JKSUJKDBSA-N 1 0 318.461 2.095 10 0 DEAERO CCCCOCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174400838 402739536 /nfs/dbraw/zinc/73/95/36/402739536.db2.gz NNNGIZHMAMTPLY-CVEARBPZSA-N 1 0 311.470 2.460 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCOCCC(C)C ZINC000174399438 402739659 /nfs/dbraw/zinc/73/96/59/402739659.db2.gz LOWGMGRRRBHEMD-HZPDHXFCSA-N 1 0 311.470 2.317 10 0 DEAERO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183121810 402740657 /nfs/dbraw/zinc/74/06/57/402740657.db2.gz KCWCXBOYYVMXRZ-VYDXJSESSA-N 1 0 304.434 2.199 10 0 DEAERO C[C@H]([NH2+]CC(=O)N(C)CCCOc1ccccc1)[C@@H]1CCCO1 ZINC000183124576 402741295 /nfs/dbraw/zinc/74/12/95/402741295.db2.gz VCPRSCAAYOHKKK-RDJZCZTQSA-N 1 0 320.433 2.071 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000192646574 402742334 /nfs/dbraw/zinc/74/23/34/402742334.db2.gz QNZNMKLTLBCBCR-XLNGHYISSA-N 1 0 302.418 2.221 10 0 DEAERO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)[C@H]1CCCO1 ZINC000183165955 402744437 /nfs/dbraw/zinc/74/44/37/402744437.db2.gz YXKSQVGYCZCEGV-CMPLNLGQSA-N 1 0 321.402 2.499 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NCC1CCC1)c1ccccc1-n1cccn1 ZINC000183173734 402744483 /nfs/dbraw/zinc/74/44/83/402744483.db2.gz LLTWHHAKNLZDMZ-CQSZACIVSA-N 1 0 312.417 2.439 10 0 DEAERO CC[C@H]1CN(C(=O)CCc2ccccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174595304 402747987 /nfs/dbraw/zinc/74/79/87/402747987.db2.gz CAFPCCIKUSNNMY-AEFFLSMTSA-N 1 0 318.461 2.231 10 0 DEAERO CC[C@@H](Oc1ccccc1F)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263238959 402748955 /nfs/dbraw/zinc/74/89/55/402748955.db2.gz OJQWUHFVGFPGBE-CHWSQXEVSA-N 1 0 320.368 2.315 10 0 DEAERO COc1cccc([C@H]2[C@H](NC(=O)C3CC3)CC[N@@H+]2C2CC2)c1 ZINC000183240824 402749516 /nfs/dbraw/zinc/74/95/16/402749516.db2.gz SZIKXLQQNNLPPC-SJORKVTESA-N 1 0 300.402 2.499 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(F)cc3cccnc32)[C@@H](C)C1 ZINC000192815731 402751456 /nfs/dbraw/zinc/75/14/56/402751456.db2.gz UKQCRGIQJBLAOG-UONOGXRCSA-N 1 0 317.408 2.261 10 0 DEAERO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccn1)c1cccnc1 ZINC000174687913 402752204 /nfs/dbraw/zinc/75/22/04/402752204.db2.gz QWCOUIBBTQWITL-HNNXBMFYSA-N 1 0 312.417 2.171 10 0 DEAERO CSCc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)ccc1F ZINC000263267174 402752378 /nfs/dbraw/zinc/75/23/78/402752378.db2.gz RSHVGNUYVKXWHB-CYBMUJFWSA-N 1 0 322.409 2.315 10 0 DEAERO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CC(F)(F)CN1 ZINC000263272262 402752509 /nfs/dbraw/zinc/75/25/09/402752509.db2.gz SKCXGJRQDFMREV-OAHLLOKOSA-N 1 0 323.387 2.261 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1c(C)noc1C ZINC000174790216 402757271 /nfs/dbraw/zinc/75/72/71/402757271.db2.gz NMCGMGDMWWHOBP-LSDHHAIUSA-N 1 0 320.437 2.102 10 0 DEAERO C[C@@H](O)CC[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000174792979 402757853 /nfs/dbraw/zinc/75/78/53/402757853.db2.gz MONFQVMHKPWQNC-MNOVXSKESA-N 1 0 322.232 2.436 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000174805771 402757976 /nfs/dbraw/zinc/75/79/76/402757976.db2.gz MRBNXBIBSLTMBW-WBVHZDCISA-N 1 0 319.449 2.233 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](O)c1ccc(C)cc1 ZINC000192993811 402759980 /nfs/dbraw/zinc/75/99/80/402759980.db2.gz MLJZDYRVNIGYMR-ZBFHGGJFSA-N 1 0 307.438 2.058 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000174953811 402766299 /nfs/dbraw/zinc/76/62/99/402766299.db2.gz LBNSLVQBNJBKEZ-CYBMUJFWSA-N 1 0 304.394 2.493 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)c1c(C)noc1C ZINC000174989811 402769227 /nfs/dbraw/zinc/76/92/27/402769227.db2.gz WKXYVCMOISCDLR-NILFDRSVSA-N 1 0 305.422 2.480 10 0 DEAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)C2CCC2)[C@H](C)C1 ZINC000175001218 402770138 /nfs/dbraw/zinc/77/01/38/402770138.db2.gz OYGPEVXCCDRTEP-GDBMZVCRSA-N 1 0 311.470 2.317 10 0 DEAERO CNC(=O)CC1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000175005824 402770817 /nfs/dbraw/zinc/77/08/17/402770817.db2.gz QXTNFLJPFKJRCE-UHFFFAOYSA-N 1 0 305.422 2.055 10 0 DEAERO C[C@H]1CCCC[C@H]1OCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183515761 402773572 /nfs/dbraw/zinc/77/35/72/402773572.db2.gz NSJFRMAFMXYFDJ-XJKSGUPXSA-N 1 0 305.422 2.473 10 0 DEAERO C[C@@H]1Cc2ccccc2N1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183543687 402775222 /nfs/dbraw/zinc/77/52/22/402775222.db2.gz LRQNZOBIYHWRRL-CQSZACIVSA-N 1 0 324.428 2.329 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cccnc1Cl ZINC000175056185 402775459 /nfs/dbraw/zinc/77/54/59/402775459.db2.gz UXBGVQWEOGWBJV-QWHCGFSZSA-N 1 0 322.840 2.232 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1nc2ccccc2n1C ZINC000183568449 402777329 /nfs/dbraw/zinc/77/73/29/402777329.db2.gz NCXFNXHATUUVPF-UHFFFAOYSA-N 1 0 323.400 2.307 10 0 DEAERO CC(C)N(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000182881274 402723992 /nfs/dbraw/zinc/72/39/92/402723992.db2.gz RCDPHEYWMRHAGH-KRWDZBQOSA-N 1 0 319.449 2.193 10 0 DEAERO Cc1cccnc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000194245155 402788909 /nfs/dbraw/zinc/78/89/09/402788909.db2.gz LHXNFPIMKJDUIP-AWEZNQCLSA-N 1 0 318.421 2.107 10 0 DEAERO CNC(=O)[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000175221408 402789464 /nfs/dbraw/zinc/78/94/64/402789464.db2.gz DDTBHEDSBAWQKZ-ZDUSSCGKSA-N 1 0 317.364 2.439 10 0 DEAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000183704354 402790690 /nfs/dbraw/zinc/79/06/90/402790690.db2.gz YZIAUMLWYMTPLE-CYBMUJFWSA-N 1 0 316.405 2.477 10 0 DEAERO CCOC(=O)CNCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000194298316 402791015 /nfs/dbraw/zinc/79/10/15/402791015.db2.gz GKNKANUTYAPLBD-UHFFFAOYSA-N 1 0 320.433 2.060 10 0 DEAERO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000175256344 402791991 /nfs/dbraw/zinc/79/19/91/402791991.db2.gz GQUXNDINHZTFAT-ZDUSSCGKSA-N 1 0 316.380 2.099 10 0 DEAERO C[C@H]1COCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000194354789 402793475 /nfs/dbraw/zinc/79/34/75/402793475.db2.gz XRXYUFVWDDFEMB-WMLDXEAASA-N 1 0 322.424 2.389 10 0 DEAERO O=C(CCCc1nc2ccccc2[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195330807 402842245 /nfs/dbraw/zinc/84/22/45/402842245.db2.gz WENITQWRAXJZLK-CQSZACIVSA-N 1 0 312.417 2.192 10 0 DEAERO O=C(NCCC[C@@H]1CCCCO1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000184415864 402842315 /nfs/dbraw/zinc/84/23/15/402842315.db2.gz NCOQAUDNONAWNA-HOTGVXAUSA-N 1 0 309.454 2.215 10 0 DEAERO CCOC(=O)CN[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000194439123 402797504 /nfs/dbraw/zinc/79/75/04/402797504.db2.gz QUJWXLIMXPAAJX-LBPRGKRZSA-N 1 0 312.360 2.082 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1cc(C)ccc1OC ZINC000175357750 402799600 /nfs/dbraw/zinc/79/96/00/402799600.db2.gz DXKIJIXULZUQAH-OAHLLOKOSA-N 1 0 319.449 2.358 10 0 DEAERO O[C@H](C[N@@H+]1CCCN(c2ccccn2)CC1)c1ccccc1F ZINC000183811861 402799629 /nfs/dbraw/zinc/79/96/29/402799629.db2.gz OFFVGNPKXCYOON-QGZVFWFLSA-N 1 0 315.392 2.466 10 0 DEAERO COc1ccccc1[C@H](O)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000175375441 402801179 /nfs/dbraw/zinc/80/11/79/402801179.db2.gz URSXZPMSRQJXNU-GOEBONIOSA-N 1 0 320.433 2.109 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1C ZINC000175392357 402802364 /nfs/dbraw/zinc/80/23/64/402802364.db2.gz AVNUJCWOFMGCNV-CQSZACIVSA-N 1 0 314.426 2.239 10 0 DEAERO C[C@]1(CNC(=O)NCCCCO)CCC[N@@H+]1Cc1ccccc1 ZINC000194574657 402803367 /nfs/dbraw/zinc/80/33/67/402803367.db2.gz GLLIFRHXNCGEMJ-GOSISDBHSA-N 1 0 319.449 2.113 10 0 DEAERO Cc1cc(CCCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)s1 ZINC000175421340 402805509 /nfs/dbraw/zinc/80/55/09/402805509.db2.gz DCIKNSGCNIZFNM-INIZCTEOSA-N 1 0 324.490 2.477 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC000194660601 402808520 /nfs/dbraw/zinc/80/85/20/402808520.db2.gz CSDOGRUKLHZPPL-INIZCTEOSA-N 1 0 312.417 2.015 10 0 DEAERO Cc1nccn1C[C@@H]1CCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194725999 402812909 /nfs/dbraw/zinc/81/29/09/402812909.db2.gz UNWYNCZVGWNULU-KRWDZBQOSA-N 1 0 316.449 2.057 10 0 DEAERO C[C@H](NC(=O)[C@H]1CCOC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000194844566 402818239 /nfs/dbraw/zinc/81/82/39/402818239.db2.gz MYCMEWVHUCRNKE-DLTWYDFYSA-N 1 0 308.466 2.428 10 0 DEAERO COc1cc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)ccc1O ZINC000194977031 402825166 /nfs/dbraw/zinc/82/51/66/402825166.db2.gz XSQBAVHEWBGLBP-CQSZACIVSA-N 1 0 312.369 2.296 10 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/nfs/dbraw/zinc/84/14/09/402841409.db2.gz BVZYAAVYKDFYMH-AWEZNQCLSA-N 1 0 314.385 2.291 10 0 DEAERO CCOc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000195311952 402841449 /nfs/dbraw/zinc/84/14/49/402841449.db2.gz IFBGRPWJXGJMEL-AWEZNQCLSA-N 1 0 304.390 2.014 10 0 DEAERO COCC[N@@H+]1CCN(Cc2csc([C@@H](C)OC)n2)C[C@H]1C ZINC000175189760 402786473 /nfs/dbraw/zinc/78/64/73/402786473.db2.gz QKHWXGIFJZFQNZ-CHWSQXEVSA-N 1 0 313.467 2.003 10 0 DEAERO CCn1cc(C2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)cn1 ZINC000195499761 402847646 /nfs/dbraw/zinc/84/76/46/402847646.db2.gz YWILAQHMYPAAOG-OAHLLOKOSA-N 1 0 318.465 2.341 10 0 DEAERO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)C1 ZINC000195506067 402848098 /nfs/dbraw/zinc/84/80/98/402848098.db2.gz AHHGDIBOLJBYCP-KBPBESRZSA-N 1 0 304.438 2.094 10 0 DEAERO FC(F)(F)c1ccn(-c2ccc(CNC3=[NH+]CCCN3)cc2)n1 ZINC000195523233 402850529 /nfs/dbraw/zinc/85/05/29/402850529.db2.gz QENHELQYSCRGNV-UHFFFAOYSA-N 1 0 323.322 2.330 10 0 DEAERO O=C(NCCOCC1CCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000566595103 292253996 /nfs/dbraw/zinc/25/39/96/292253996.db2.gz BJWDQRKAWCSBRY-INIZCTEOSA-N 1 0 309.454 2.073 10 0 DEAERO Cc1ccc([C@H](C[NH2+][C@H]2CCOC[C@@H]2C)N2CCOCC2)s1 ZINC000192541443 292256596 /nfs/dbraw/zinc/25/65/96/292256596.db2.gz QSIAQCIKYIYLTP-BPUTZDHNSA-N 1 0 324.490 2.444 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2cccc(C)n2)cc1 ZINC000566673656 292260193 /nfs/dbraw/zinc/26/01/93/292260193.db2.gz VUPITZJHWOHXAW-QGZVFWFLSA-N 1 0 314.385 2.122 10 0 DEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000282262651 403137642 /nfs/dbraw/zinc/13/76/42/403137642.db2.gz HCIXSCSNBCVYAX-UFBFGSQYSA-N 1 0 315.186 2.345 10 0 DEAERO CNC(=O)[C@H]1C[N@@H+]([C@@H]2C=CCCCCC2)C[C@@H]1c1cnn(C)c1 ZINC000293511665 403491380 /nfs/dbraw/zinc/49/13/80/403491380.db2.gz IARWURPWQFAERU-ZACQAIPSSA-N 1 0 316.449 2.070 10 0 DEAERO Cn1nccc1[C@H]1[C@H]([NH2+][C@H]2C=CCCCCC2)CC(=O)N1C ZINC000293710145 403543743 /nfs/dbraw/zinc/54/37/43/403543743.db2.gz XSFAUZBZLLKUEX-JJRVBVJISA-N 1 0 302.422 2.170 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@H]1c1ccccc1 ZINC000332700703 403602205 /nfs/dbraw/zinc/60/22/05/403602205.db2.gz AYISWWOWIIXZQH-CRAIPNDOSA-N 1 0 324.428 2.395 10 0 DEAERO c1nc(N2CCCCC2)cc(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000301246595 403604638 /nfs/dbraw/zinc/60/46/38/403604638.db2.gz QDRGTJOQDFSUFL-HNNXBMFYSA-N 1 0 301.438 2.141 10 0 DEAERO Cn1cc([C@@H](CNc2ncnc3sccc32)[NH+](C)C)cn1 ZINC000301294762 403612677 /nfs/dbraw/zinc/61/26/77/403612677.db2.gz RBNLCZAFVBKSAJ-GFCCVEGCSA-N 1 0 302.407 2.140 10 0 DEAERO CNC(=O)c1cccnc1NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000301364580 403621077 /nfs/dbraw/zinc/62/10/77/403621077.db2.gz NEGOUBSPZYQZRW-AWEZNQCLSA-N 1 0 304.438 2.365 10 0 DEAERO CC(C)(C)c1nccc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000301543643 403645157 /nfs/dbraw/zinc/64/51/57/403645157.db2.gz DESKAAOMJBWRNV-GJZGRUSLSA-N 1 0 318.465 2.200 10 0 DEAERO CSc1ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nn1 ZINC000301673036 403662444 /nfs/dbraw/zinc/66/24/44/403662444.db2.gz APRIXGHHLHUSTL-KGLIPLIRSA-N 1 0 322.478 2.378 10 0 DEAERO O=C(Nc1ccccc1N1CCCC1=O)N[C@H]1CCCC[NH2+]C1 ZINC000333159166 403681180 /nfs/dbraw/zinc/68/11/80/403681180.db2.gz LPCDYDRYXGDUGA-ZDUSSCGKSA-N 1 0 316.405 2.077 10 0 DEAERO C(C[NH+]1CCCCC1)O[C@@H]1CCN(c2nc(C3CC3)ns2)C1 ZINC000301857939 403691556 /nfs/dbraw/zinc/69/15/56/403691556.db2.gz SBMPSHMFOAAGCY-CQSZACIVSA-N 1 0 322.478 2.497 10 0 DEAERO Cc1cc(N2CCO[C@H](CO)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301564307 403648291 /nfs/dbraw/zinc/64/82/91/403648291.db2.gz PONLMGDQKBNHTM-LBPRGKRZSA-N 1 0 324.327 2.342 10 0 DEAERO Cc1cccc2c1ncnc2N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000302567348 403712060 /nfs/dbraw/zinc/71/20/60/403712060.db2.gz XCTLPMIVPVKQNM-CQSZACIVSA-N 1 0 314.433 2.220 10 0 DEAERO FC(F)(F)c1cnc(NC[C@H]2CN(C3CC3)CCO2)s1 ZINC000302785055 403726347 /nfs/dbraw/zinc/72/63/47/403726347.db2.gz VEJNHLJMWCHBPX-VIFPVBQESA-N 1 0 307.341 2.437 10 0 DEAERO C[C@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000333660890 403806968 /nfs/dbraw/zinc/80/69/68/403806968.db2.gz LNTVDFULSDSPLZ-MAZHCROVSA-N 1 0 321.396 2.049 10 0 DEAERO CCOC(=O)COCC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000347712721 403821143 /nfs/dbraw/zinc/82/11/43/403821143.db2.gz BAFJNNAMZNXYEV-UHFFFAOYSA-N 1 0 321.417 2.247 10 0 DEAERO Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCc3nnnn3CC2)cc1 ZINC000333546713 403777344 /nfs/dbraw/zinc/77/73/44/403777344.db2.gz ORPBUUSAHKVNDD-HRCADAONSA-N 1 0 315.396 2.443 10 0 DEAERO CCOc1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc(Cl)c1O ZINC000333876672 403894693 /nfs/dbraw/zinc/89/46/93/403894693.db2.gz VLIVRAAZHXAEGF-UHFFFAOYSA-N 1 0 324.808 2.412 10 0 DEAERO C[C@@]1(CNC(=O)N2CCO[C@@H](C3CCCCC3)C2)CCC[NH2+]C1 ZINC000333882270 403896339 /nfs/dbraw/zinc/89/63/39/403896339.db2.gz WKZCMNDUVSNSHG-SJLPKXTDSA-N 1 0 323.481 2.367 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCC[NH2+]C2)C12CCC2 ZINC000333771322 403854982 /nfs/dbraw/zinc/85/49/82/403854982.db2.gz CBGLNUNIRKKGRO-QLFBSQMISA-N 1 0 309.454 2.118 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCO[C@H](c2ccccc2F)C1 ZINC000333828769 403875870 /nfs/dbraw/zinc/87/58/70/403875870.db2.gz MDPRYKXOYRINFK-CJNGLKHVSA-N 1 0 321.396 2.051 10 0 DEAERO O=C(N[C@H]1CCOc2c(F)cccc21)N[C@H]1CCCC[NH2+]C1 ZINC000333845757 403881489 /nfs/dbraw/zinc/88/14/89/403881489.db2.gz WFEIHDTYQRHNNV-FZMZJTMJSA-N 1 0 307.369 2.091 10 0 DEAERO O[C@H](CC[NH2+]Cc1ccc(Br)o1)C(F)(F)F ZINC000336669306 403911610 /nfs/dbraw/zinc/91/16/10/403911610.db2.gz GXKWGIWKSBLYOX-SSDOTTSWSA-N 1 0 302.090 2.445 10 0 DEAERO CCOC(=O)CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000368969749 403921910 /nfs/dbraw/zinc/92/19/10/403921910.db2.gz QMJNUMZOQVNCAH-OAHLLOKOSA-N 1 0 310.438 2.054 10 0 DEAERO C[NH+]1CCC2(CCCN(Cc3cn(C(C)(C)C)nn3)C2)CC1 ZINC000369195722 403999119 /nfs/dbraw/zinc/99/91/19/403999119.db2.gz BWBNBBCMUBYBCC-UHFFFAOYSA-N 1 0 305.470 2.341 10 0 DEAERO Cc1c(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)[nH]c2c1C(=O)CCC2 ZINC000337156995 403969425 /nfs/dbraw/zinc/96/94/25/403969425.db2.gz PXYAKXSLBCMMEP-NWDGAFQWSA-N 1 0 303.406 2.055 10 0 DEAERO COCC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CCC1 ZINC000311662729 403969633 /nfs/dbraw/zinc/96/96/33/403969633.db2.gz GVNIXXBVGPHDPA-GOSISDBHSA-N 1 0 318.461 2.294 10 0 DEAERO CCO[C@@H]1C[C@](O)(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1(C)C ZINC000189417778 286420283 /nfs/dbraw/zinc/42/02/83/286420283.db2.gz HGQYRSLPBSZGAM-KIBLCYBISA-N 1 0 309.450 2.100 10 0 DEAERO CC(=O)c1ncc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000412134410 404152783 /nfs/dbraw/zinc/15/27/83/404152783.db2.gz RSLBZSSNHQQWCP-UHFFFAOYSA-N 1 0 321.446 2.294 10 0 DEAERO Cc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2C)o1 ZINC000290569482 404223070 /nfs/dbraw/zinc/22/30/70/404223070.db2.gz WODDRYFAKIVRQT-AAEUAGOBSA-N 1 0 301.394 2.056 10 0 DEAERO C[C@H]1CN(Cc2ncc(C3CC3)o2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370149758 404349969 /nfs/dbraw/zinc/34/99/69/404349969.db2.gz POUVJGJPQXWDOI-GOEBONIOSA-N 1 0 318.465 2.010 10 0 DEAERO C[N@H+](CCNC(=O)c1nnc2ccccc2n1)C1CCCCC1 ZINC000329504546 404360063 /nfs/dbraw/zinc/36/00/63/404360063.db2.gz IIHDQBAWTFQKNY-UHFFFAOYSA-N 1 0 313.405 2.019 10 0 DEAERO Cn1nccc1CC[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000338568892 404409147 /nfs/dbraw/zinc/40/91/47/404409147.db2.gz AQTMXDRRLNEIFP-BBRMVZONSA-N 1 0 307.344 2.049 10 0 DEAERO Cn1nccc1CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000338568894 404409444 /nfs/dbraw/zinc/40/94/44/404409444.db2.gz AQTMXDRRLNEIFP-CZUORRHYSA-N 1 0 307.344 2.049 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000364550878 404443810 /nfs/dbraw/zinc/44/38/10/404443810.db2.gz IJIKYEYOBFLYFV-UONOGXRCSA-N 1 0 318.465 2.191 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@](C)(O)CC2)CC1 ZINC000365552562 404689377 /nfs/dbraw/zinc/68/93/77/404689377.db2.gz ZTERFQNEJOEHAD-KRWDZBQOSA-N 1 0 311.470 2.055 10 0 DEAERO CC(C)C[C@H]([NH3+])c1noc(-c2nn(C)cc2Br)n1 ZINC000414612513 404692291 /nfs/dbraw/zinc/69/22/91/404692291.db2.gz DAGSBOQKNVWFMI-QMMMGPOBSA-N 1 0 314.187 2.279 10 0 DEAERO COc1cccc2c1CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC2 ZINC000365892355 404739963 /nfs/dbraw/zinc/73/99/63/404739963.db2.gz GIUGCQNVXUGRNR-AWEZNQCLSA-N 1 0 319.449 2.146 10 0 DEAERO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000356886037 404716482 /nfs/dbraw/zinc/71/64/82/404716482.db2.gz XIPVGOTURJICQC-XJKSGUPXSA-N 1 0 317.433 2.075 10 0 DEAERO Cc1nccc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)n1 ZINC000366435013 404790662 /nfs/dbraw/zinc/79/06/62/404790662.db2.gz VYGJHMKJIWWDAA-UHFFFAOYSA-N 1 0 315.392 2.494 10 0 DEAERO c1sc(-c2ccccc2)nc1CNC[C@H]1C[NH2+]CCCO1 ZINC000415035981 404793044 /nfs/dbraw/zinc/79/30/44/404793044.db2.gz JNEGGIHYYBXGOW-OAHLLOKOSA-N 1 0 303.431 2.278 10 0 DEAERO CC[C@]1(C(=O)NC[C@H](C)COCc2ccccc2)CC[NH2+]C1 ZINC000366458253 404794509 /nfs/dbraw/zinc/79/45/09/404794509.db2.gz BDVZGVMPXIDXJL-YJBOKZPZSA-N 1 0 304.434 2.345 10 0 DEAERO CN(C(=O)c1cnc(-c2ccccc2)nc1)[C@H]1CCC[NH2+]CC1 ZINC000366676305 404829826 /nfs/dbraw/zinc/82/98/26/404829826.db2.gz ITJYOPZXPYLWKF-INIZCTEOSA-N 1 0 310.401 2.358 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000415257941 404835228 /nfs/dbraw/zinc/83/52/28/404835228.db2.gz BRJBGLLVFWCRDD-OAHLLOKOSA-N 1 0 318.421 2.179 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](CCSc2ccccc2)CC12COC2 ZINC000451138211 404877334 /nfs/dbraw/zinc/87/73/34/404877334.db2.gz QFEBVIZCOGZTGD-OAHLLOKOSA-N 1 0 321.442 2.290 10 0 DEAERO c1cc(-c2ccc(C[NH2+][C@H]3CCO[C@]4(CCOC4)C3)o2)n[nH]1 ZINC000366822977 404853287 /nfs/dbraw/zinc/85/32/87/404853287.db2.gz HBSSDFSOSBMNRS-BLLLJJGKSA-N 1 0 303.362 2.097 10 0 DEAERO C[NH+](C)CCCCNC(=O)COc1ccc2c(c1)CCCC2 ZINC000360956361 404861855 /nfs/dbraw/zinc/86/18/55/404861855.db2.gz GHUZVVLFQJAJIB-UHFFFAOYSA-N 1 0 304.434 2.402 10 0 DEAERO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435125448 404957632 /nfs/dbraw/zinc/95/76/32/404957632.db2.gz FEVHCRGQLYCXMN-LBPRGKRZSA-N 1 0 302.378 2.160 10 0 DEAERO c1nc(-c2ccccn2)sc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000353686565 404919290 /nfs/dbraw/zinc/91/92/90/404919290.db2.gz KNLGYEFVZSTCST-SWLSCSKDSA-N 1 0 300.431 2.389 10 0 DEAERO C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H]1[NH3+] ZINC000423955229 404945707 /nfs/dbraw/zinc/94/57/07/404945707.db2.gz ORFYOSSVZJKVRY-GWCFXTLKSA-N 1 0 323.234 2.286 10 0 DEAERO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)[nH]1 ZINC000434986633 404947804 /nfs/dbraw/zinc/94/78/04/404947804.db2.gz IEYKCCKEBPJXFW-GFCCVEGCSA-N 1 0 312.377 2.476 10 0 DEAERO CC(=O)N1CCC(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CC1 ZINC000435025622 404951381 /nfs/dbraw/zinc/95/13/81/404951381.db2.gz JGYQGMNZTLRWPX-KRWDZBQOSA-N 1 0 317.433 2.495 10 0 DEAERO [NH3+][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)CCc2ccccc2)C1 ZINC000379265713 405026095 /nfs/dbraw/zinc/02/60/95/405026095.db2.gz JRJMRPCZNREBNK-STQMWFEESA-N 1 0 300.324 2.500 10 0 DEAERO c1cn(-c2ccccc2)nc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000367365675 405026121 /nfs/dbraw/zinc/02/61/21/405026121.db2.gz QOHHAWVUGWNDFX-CRAIPNDOSA-N 1 0 313.401 2.300 10 0 DEAERO O=C(CCCCO)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000381797793 405030920 /nfs/dbraw/zinc/03/09/20/405030920.db2.gz QFQDUIYDVLYRMJ-FGTMMUONSA-N 1 0 316.445 2.176 10 0 DEAERO CC(C)[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000367381384 405032156 /nfs/dbraw/zinc/03/21/56/405032156.db2.gz IXHUTNDAYKYTRZ-INIZCTEOSA-N 1 0 308.397 2.493 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000367460165 405056253 /nfs/dbraw/zinc/05/62/53/405056253.db2.gz YYGYOZSLWUJJDX-MJGOQNOKSA-N 1 0 318.461 2.388 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ncccc1N ZINC000398032047 405060506 /nfs/dbraw/zinc/06/05/06/405060506.db2.gz GYWMUSRNFALGGQ-YOEHRIQHSA-N 1 0 324.428 2.304 10 0 DEAERO C[C@]1(C[NH2+][C@@H]2CCCNC(=O)C2)CCCN1Cc1ccccc1 ZINC000397967860 405060707 /nfs/dbraw/zinc/06/07/07/405060707.db2.gz YRHJANRJGZLBDC-IEBWSBKVSA-N 1 0 315.461 2.299 10 0 DEAERO C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)[C@@H](C)C[N@@H+]1C ZINC000408073640 405105800 /nfs/dbraw/zinc/10/58/00/405105800.db2.gz QWCFXOPXSBIZLY-NEPJUHHUSA-N 1 0 316.380 2.380 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)o1 ZINC000408096403 405111600 /nfs/dbraw/zinc/11/16/00/405111600.db2.gz BCFRTACZSNBVJN-AWEZNQCLSA-N 1 0 312.435 2.227 10 0 DEAERO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000408150875 405125751 /nfs/dbraw/zinc/12/57/51/405125751.db2.gz XXXCUEPTIKLMKW-FXUDXRNXSA-N 1 0 310.482 2.410 10 0 DEAERO Cc1cccc2nc(C3CCN(C(=O)N[C@@H](C)C[NH3+])CC3)oc21 ZINC000418610200 405138264 /nfs/dbraw/zinc/13/82/64/405138264.db2.gz FTXOJAMITPXANZ-LBPRGKRZSA-N 1 0 316.405 2.372 10 0 DEAERO CC(C)(C)[C@H]1CCN(c2cc(N3CCCC3)ncn2)C[C@H]1O ZINC000408396504 405196431 /nfs/dbraw/zinc/19/64/31/405196431.db2.gz ZAXXWKUEJSFFCX-UONOGXRCSA-N 1 0 304.438 2.310 10 0 DEAERO CN(CC1CC1)C(=O)C[N@H+](C)CCCOCc1ccccc1 ZINC000439472422 405281216 /nfs/dbraw/zinc/28/12/16/405281216.db2.gz TTXCFBQRCCNWFA-UHFFFAOYSA-N 1 0 304.434 2.394 10 0 DEAERO COC1([C@@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)CCOCC1 ZINC000453106896 405284443 /nfs/dbraw/zinc/28/44/43/405284443.db2.gz JNGZRTINLRZWTM-CQSZACIVSA-N 1 0 320.433 2.361 10 0 DEAERO COC1([C@H](C)[NH2+][C@@H](CO)Cc2cccc(C)c2)CCOCC1 ZINC000453208207 405288951 /nfs/dbraw/zinc/28/89/51/405288951.db2.gz BLCIVLUKORRAED-DOTOQJQBSA-N 1 0 307.434 2.072 10 0 DEAERO CCc1noc(C)c1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000454504158 405354755 /nfs/dbraw/zinc/35/47/55/405354755.db2.gz JIBIYUPOHLFICL-OLZOCXBDSA-N 1 0 322.453 2.465 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc(I)cn1 ZINC000420196290 405294331 /nfs/dbraw/zinc/29/43/31/405294331.db2.gz LKZHLPBNGLTEBK-SCZZXKLOSA-N 1 0 317.174 2.226 10 0 DEAERO c1nc(N2CCCCC2)cc(N2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000420252261 405300843 /nfs/dbraw/zinc/30/08/43/405300843.db2.gz NOFDIBLQDFXESW-KRWDZBQOSA-N 1 0 301.438 2.047 10 0 DEAERO Cc1nn(C)cc1CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000448710620 405440207 /nfs/dbraw/zinc/44/02/07/405440207.db2.gz VIGMQFYTZWQANL-AWEZNQCLSA-N 1 0 306.454 2.042 10 0 DEAERO c1ccc2c(c1)CCN2CC1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000431002534 405556884 /nfs/dbraw/zinc/55/68/84/405556884.db2.gz CWMMPLSQWMZKNU-SFHVURJKSA-N 1 0 316.445 2.177 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000638586081 405559046 /nfs/dbraw/zinc/55/90/46/405559046.db2.gz HBOXLHUYYSMNLR-UHFFFAOYSA-N 1 0 305.205 2.301 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC[C@@H]1CC=CCC1 ZINC000638597805 405564522 /nfs/dbraw/zinc/56/45/22/405564522.db2.gz BEQWZQHHQQPHPL-AEFFLSMTSA-N 1 0 315.461 2.308 10 0 DEAERO c1cnn(C2CC([NH2+]CCCc3nnc4n3CCCCC4)C2)c1 ZINC000638511719 405518306 /nfs/dbraw/zinc/51/83/06/405518306.db2.gz RHHHOOJZHAUIEK-UHFFFAOYSA-N 1 0 314.437 2.127 10 0 DEAERO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000449616966 405641342 /nfs/dbraw/zinc/64/13/42/405641342.db2.gz FWECCPZZNYEZSF-INIZCTEOSA-N 1 0 300.406 2.250 10 0 DEAERO COC[C@H]([NH2+]Cc1snc(OC)c1Br)C1CC1 ZINC000638772151 405661492 /nfs/dbraw/zinc/66/14/92/405661492.db2.gz WTWDFZNRROFJMH-QMMMGPOBSA-N 1 0 321.240 2.429 10 0 DEAERO CC1(C)CCC[N@@H+]1CCNC(=O)Cn1ncc2ccccc21 ZINC000457073297 405680660 /nfs/dbraw/zinc/68/06/60/405680660.db2.gz JSUXIGOEMMWBCV-UHFFFAOYSA-N 1 0 300.406 2.027 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]CC1)N1CCOc2cc(F)ccc2C1 ZINC000638807972 405680997 /nfs/dbraw/zinc/68/09/97/405680997.db2.gz RQZRXQJLVFYIBA-ZDUSSCGKSA-N 1 0 306.381 2.327 10 0 DEAERO c1ccc(N2CC[C@H](C[NH2+][C@H]3CCO[C@@]4(CCOC4)C3)C2)cc1 ZINC000638834031 405702363 /nfs/dbraw/zinc/70/23/63/405702363.db2.gz CKDPCRYYSBYNSX-AOIWGVFYSA-N 1 0 316.445 2.441 10 0 DEAERO CCC(C)(C)CCNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638867011 405728477 /nfs/dbraw/zinc/72/84/77/405728477.db2.gz WSEQLTQTEAWIQF-INIZCTEOSA-N 1 0 305.466 2.388 10 0 DEAERO COc1nsc(C[NH2+]C2(CO)CCCC2)c1Br ZINC000638876265 405733575 /nfs/dbraw/zinc/73/35/75/405733575.db2.gz IIKLGOYGTPSJBM-UHFFFAOYSA-N 1 0 321.240 2.309 10 0 DEAERO C[C@H]1CN(C(=O)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000638889216 405742181 /nfs/dbraw/zinc/74/21/81/405742181.db2.gz PFRFCKBBUCYVEX-CMPLNLGQSA-N 1 0 311.223 2.045 10 0 DEAERO Cc1cc(Br)cc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638898604 405749039 /nfs/dbraw/zinc/74/90/39/405749039.db2.gz LPEATISMDKNFNH-JQWIXIFHSA-N 1 0 311.223 2.424 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638899880 405749338 /nfs/dbraw/zinc/74/93/38/405749338.db2.gz FNGBNWOSDBBHRS-APPZFPTMSA-N 1 0 301.184 2.017 10 0 DEAERO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2CCn2ccnc2)cc1 ZINC000583619776 405776236 /nfs/dbraw/zinc/77/62/36/405776236.db2.gz FYJNYSVVNRAWRH-ZWKOTPCHSA-N 1 0 315.417 2.264 10 0 DEAERO CC(=O)[C@](C)(O)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000450265526 405806815 /nfs/dbraw/zinc/80/68/15/405806815.db2.gz KIBSZVJQOOHNDU-MRXNPFEDSA-N 1 0 313.344 2.148 10 0 DEAERO [NH3+]CC1(NC(=O)c2cncc(Br)c2)CCCCC1 ZINC000638999661 405810605 /nfs/dbraw/zinc/81/06/05/405810605.db2.gz LBBDAGSWBYSAMM-UHFFFAOYSA-N 1 0 312.211 2.236 10 0 DEAERO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCOCC2CCC2)CC1 ZINC000584087455 405820250 /nfs/dbraw/zinc/82/02/50/405820250.db2.gz MRHRKYPYBSYEOD-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO CCn1nncc1CN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000459371710 405875250 /nfs/dbraw/zinc/87/52/50/405875250.db2.gz KBAFTICGCBHOLG-HOTGVXAUSA-N 1 0 313.449 2.393 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCc1cccc(Br)c1 ZINC000423651957 405893636 /nfs/dbraw/zinc/89/36/36/405893636.db2.gz WOYXGAAQJYDQKK-GWCFXTLKSA-N 1 0 311.223 2.330 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000457550639 405894701 /nfs/dbraw/zinc/89/47/01/405894701.db2.gz CLXDAFMGFNQMLG-UHFFFAOYSA-N 1 0 318.417 2.195 10 0 DEAERO CC(=O)[C@](C)(O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000450328406 405837481 /nfs/dbraw/zinc/83/74/81/405837481.db2.gz BTXJLKZFNQPGFM-GOSISDBHSA-N 1 0 315.417 2.281 10 0 DEAERO c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@@H]1CNCCO1)CCCC2 ZINC000423531128 405845887 /nfs/dbraw/zinc/84/58/87/405845887.db2.gz XOYDROQNQXJOHJ-FUHWJXTLSA-N 1 0 316.445 2.357 10 0 DEAERO CC(C)Oc1ccc2[nH+]ccc(N(C)Cc3nnnn3C)c2c1 ZINC000450375503 405863728 /nfs/dbraw/zinc/86/37/28/405863728.db2.gz FACHUTDIMHJYGG-UHFFFAOYSA-N 1 0 312.377 2.182 10 0 DEAERO COc1nsc(C[NH2+]CC2(CCO)CC2)c1Br ZINC000639076482 405866433 /nfs/dbraw/zinc/86/64/33/405866433.db2.gz RNLMORQUKVCFAU-UHFFFAOYSA-N 1 0 321.240 2.166 10 0 DEAERO c1cc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)co1 ZINC000561279144 405915623 /nfs/dbraw/zinc/91/56/23/405915623.db2.gz KQUWVJWHSSUHRI-UONOGXRCSA-N 1 0 302.378 2.436 10 0 DEAERO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459476739 405921604 /nfs/dbraw/zinc/92/16/04/405921604.db2.gz GKXOASVLUPSXQQ-INIZCTEOSA-N 1 0 308.447 2.078 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000451067817 406037287 /nfs/dbraw/zinc/03/72/87/406037287.db2.gz AIZDFFOWGYVSHX-MEDUHNTESA-N 1 0 305.353 2.002 10 0 DEAERO C[C@H]1CC[N@H+](CCNC(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC000562402857 406003523 /nfs/dbraw/zinc/00/35/23/406003523.db2.gz FZGXJBFQXPMEKW-LBPRGKRZSA-N 1 0 303.381 2.389 10 0 DEAERO c1nc2n(n1)[C@H](C[NH+]1CCC(OCc3ccccc3)CC1)CC2 ZINC000639432619 406085264 /nfs/dbraw/zinc/08/52/64/406085264.db2.gz FSBJAKRYYOEQLX-INIZCTEOSA-N 1 0 312.417 2.447 10 0 DEAERO O=C(NCCC[NH2+]C1CCCCC1)NCCOCC1CCC1 ZINC000515568857 406073613 /nfs/dbraw/zinc/07/36/13/406073613.db2.gz XFUOZCRIHXZKDK-UHFFFAOYSA-N 1 0 311.470 2.415 10 0 DEAERO C[C@@]1(c2nc(-c3cccc(Br)c3)no2)C[NH2+]CCO1 ZINC000634553960 406168632 /nfs/dbraw/zinc/16/86/32/406168632.db2.gz LQBKJKFMNMDPKQ-ZDUSSCGKSA-N 1 0 324.178 2.334 10 0 DEAERO C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1nc(CC2CC2)no1 ZINC000639613997 406169297 /nfs/dbraw/zinc/16/92/97/406169297.db2.gz WJBRKQFPOZEEKA-MAZHCROVSA-N 1 0 303.406 2.459 10 0 DEAERO C(c1noc(CN2CC[NH+](C3CCCCC3)CC2)n1)C1CC1 ZINC000639518449 406126497 /nfs/dbraw/zinc/12/64/97/406126497.db2.gz HULVBKMPHWSCCJ-UHFFFAOYSA-N 1 0 304.438 2.472 10 0 DEAERO C(c1noc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1)C1CC1 ZINC000639543743 406138987 /nfs/dbraw/zinc/13/89/87/406138987.db2.gz OUOFUCJGWRDUKS-GDBMZVCRSA-N 1 0 316.449 2.471 10 0 DEAERO c1nc2n(n1)[C@@H](C[N@H+]1CCC[C@H]1Cn1cnc3ccccc31)CC2 ZINC000639563880 406148455 /nfs/dbraw/zinc/14/84/55/406148455.db2.gz CFXCPFBXHBAWIV-LSDHHAIUSA-N 1 0 322.416 2.280 10 0 DEAERO COC1CC[NH+](C2(CNC(=O)NC[C@@H]3C[C@@H]3C)CCCC2)CC1 ZINC000519380312 406194498 /nfs/dbraw/zinc/19/44/98/406194498.db2.gz LPQPLPFSFAUKEH-GJZGRUSLSA-N 1 0 323.481 2.365 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000487261614 406220256 /nfs/dbraw/zinc/22/02/56/406220256.db2.gz BNMFMAGQNJNUKO-STQMWFEESA-N 1 0 316.243 2.213 10 0 DEAERO O[C@]1(C[NH2+]CC[C@@H]2CC2(F)F)CCN(Cc2ccccc2)C1 ZINC000634722369 406245933 /nfs/dbraw/zinc/24/59/33/406245933.db2.gz OCAYZGMZXQFPNW-CVEARBPZSA-N 1 0 310.388 2.258 10 0 DEAERO CSc1nc(C)c(CCC(=O)N(C)CCC[NH+](C)C)c(C)n1 ZINC000537214667 406286178 /nfs/dbraw/zinc/28/61/78/406286178.db2.gz PRJJNPSTBKKCEQ-UHFFFAOYSA-N 1 0 324.494 2.158 10 0 DEAERO CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C)c1ccccc1 ZINC000488720234 406341373 /nfs/dbraw/zinc/34/13/73/406341373.db2.gz PIKQHUOGBXDDCS-LESCRADOSA-N 1 0 304.434 2.203 10 0 DEAERO c1nnn(Cc2ccccc2)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000490576902 406472070 /nfs/dbraw/zinc/47/20/70/406472070.db2.gz DSJJHOPPHZJKSI-DLBZAZTESA-N 1 0 311.433 2.043 10 0 DEAERO CC(C)[C@@H]1CCCN1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637920615 406478101 /nfs/dbraw/zinc/47/81/01/406478101.db2.gz OGQWLDKVGBVGHR-SJORKVTESA-N 1 0 303.450 2.093 10 0 DEAERO c1ccc(-n2nnc(CN3C[C@@H]4CCC[NH2+][C@@H]4C3)c2C2CC2)cc1 ZINC000638089452 406564182 /nfs/dbraw/zinc/56/41/82/406564182.db2.gz PCXJKSLFFQWRFZ-DOTOQJQBSA-N 1 0 323.444 2.329 10 0 DEAERO C[C@@H]1CCCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000637971504 406502575 /nfs/dbraw/zinc/50/25/75/406502575.db2.gz WCKAOOCEEAUYQY-HLLBOEOZSA-N 1 0 303.450 2.093 10 0 DEAERO [NH3+]C1(CC(=O)NCCC2CC2)CCN(Cc2ccccc2)CC1 ZINC000638005753 406518922 /nfs/dbraw/zinc/51/89/22/406518922.db2.gz WQKLGOJXRXUXEJ-UHFFFAOYSA-N 1 0 315.461 2.286 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1-c1cn[nH]c1 ZINC000635565091 406593223 /nfs/dbraw/zinc/59/32/23/406593223.db2.gz MSIQSOFIRUYPBG-ZFWWWQNUSA-N 1 0 310.401 2.385 10 0 DEAERO c1ccc(CN2CCOCC2)c(C[NH2+]CCC[C@H]2CCO2)c1 ZINC000638305220 406686734 /nfs/dbraw/zinc/68/67/34/406686734.db2.gz RXDBIYPFCIIKPL-SFHVURJKSA-N 1 0 304.434 2.178 10 0 DEAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000552254110 406700359 /nfs/dbraw/zinc/70/03/59/406700359.db2.gz MHIKUCADSPTKAX-SZMVWBNQSA-N 1 0 323.408 2.172 10 0 DEAERO Brc1ccc(-c2noc([C@H]3C[NH2+]CCOC3)n2)cc1 ZINC000644512881 407133103 /nfs/dbraw/zinc/13/31/03/407133103.db2.gz HVCQQRYIQXJCJB-JTQLQIEISA-N 1 0 324.178 2.203 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCC(OCCO)CC1 ZINC000128792591 195992225 /nfs/dbraw/zinc/99/22/25/195992225.db2.gz HXMXCHPLDQAICT-IINYFYTJSA-N 1 0 318.870 2.263 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)n1nc(C)cc1C ZINC000253548739 287228455 /nfs/dbraw/zinc/22/84/55/287228455.db2.gz JXBGGBGRZMWOOG-XHSDSOJGSA-N 1 0 304.438 2.146 10 0 DEAERO CNC(=O)c1ccn(-c2ccc(Br)cc2[C@H](C)[NH3+])n1 ZINC000129229175 196030732 /nfs/dbraw/zinc/03/07/32/196030732.db2.gz MDKFERCVJIWMHR-QMMMGPOBSA-N 1 0 323.194 2.014 10 0 DEAERO NC1=[NH+]C[C@@H]([C@H]2CCCO2)N1c1ccccc1Br ZINC000129271394 196034540 /nfs/dbraw/zinc/03/45/40/196034540.db2.gz VHEGOWKWUCGLRW-NWDGAFQWSA-N 1 0 310.195 2.131 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@]1(O)CCC[NH2+]CC1 ZINC000129360756 196041698 /nfs/dbraw/zinc/04/16/98/196041698.db2.gz JQTGAJSIFNNMPA-CYBMUJFWSA-N 1 0 316.243 2.021 10 0 DEAERO C[N@H+](CC[C@H]1COCCN1)Cc1ccc(Br)cc1 ZINC000129401934 196044811 /nfs/dbraw/zinc/04/48/11/196044811.db2.gz LYYDIZWFSHKUNO-AWEZNQCLSA-N 1 0 313.239 2.259 10 0 DEAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129394746 196045092 /nfs/dbraw/zinc/04/50/92/196045092.db2.gz OUCAMZWYHRQLAT-KKUMJFAQSA-N 1 0 316.511 2.462 10 0 DEAERO [NH3+][C@@H](CCN1CCC(OCCO)CC1)c1ccccc1Cl ZINC000129423326 196047470 /nfs/dbraw/zinc/04/74/70/196047470.db2.gz QLGZXPWZCFNGIC-INIZCTEOSA-N 1 0 312.841 2.203 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000129586908 196059703 /nfs/dbraw/zinc/05/97/03/196059703.db2.gz SYCMCQCGMJMKPL-JTQLQIEISA-N 1 0 312.211 2.481 10 0 DEAERO C[C@H](CC(=O)N(C)C1C[NH2+]C1)c1ccc(Br)cc1 ZINC000129752008 196072520 /nfs/dbraw/zinc/07/25/20/196072520.db2.gz LPZJCCVKCNISRC-SNVBAGLBSA-N 1 0 311.223 2.373 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC(C)([NH2+]C)CC2)s1 ZINC000129868464 196081941 /nfs/dbraw/zinc/08/19/41/196081941.db2.gz IYAOQAFJBUOFTM-UHFFFAOYSA-N 1 0 302.465 2.073 10 0 DEAERO [NH3+][C@H]1CCN(c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000130598794 196094519 /nfs/dbraw/zinc/09/45/19/196094519.db2.gz AHSDXIUUZOEFID-NSHDSACASA-N 1 0 307.195 2.377 10 0 DEAERO C[C@H]1CCCC[C@@]1(C[NH3+])NC(=O)c1cc(Br)c[nH]1 ZINC000130627166 196097340 /nfs/dbraw/zinc/09/73/40/196097340.db2.gz LVYHUXQOSUGVSW-ZANVPECISA-N 1 0 314.227 2.415 10 0 DEAERO CCCNc1ncc(Br)c(N[C@H]2CCN(C)C2)n1 ZINC000130637384 196098252 /nfs/dbraw/zinc/09/82/52/196098252.db2.gz DUPJJAQJAJIHKP-VIFPVBQESA-N 1 0 314.231 2.177 10 0 DEAERO Cc1cc2c(=O)n(CC[NH2+][C@@H](C)c3cccs3)ccn2n1 ZINC000130743903 196106102 /nfs/dbraw/zinc/10/61/02/196106102.db2.gz AAAROERXAMTNJS-LBPRGKRZSA-N 1 0 302.403 2.217 10 0 DEAERO Cc1ccc([C@@H]2N[C@@H](C)C(=O)N2C[C@@H](C)[NH+]2CCCC2)s1 ZINC000130751777 196107613 /nfs/dbraw/zinc/10/76/13/196107613.db2.gz XCKJOZOJPBMELF-OSAQELSMSA-N 1 0 307.463 2.360 10 0 DEAERO CCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000130827707 196112773 /nfs/dbraw/zinc/11/27/73/196112773.db2.gz CJFXANDLFPAOCM-UHTWSYAYSA-N 1 0 314.476 2.058 10 0 DEAERO Cc1c(C(F)(F)F)cccc1S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000131013655 196131584 /nfs/dbraw/zinc/13/15/84/196131584.db2.gz BVKZQPXMACVJIK-JTQLQIEISA-N 1 0 322.352 2.126 10 0 DEAERO CC[NH2+][C@@H](C)c1c(CC)nn([C@@H]2CCS(=O)(=O)C2)c1CC ZINC000131106319 196140764 /nfs/dbraw/zinc/14/07/64/196140764.db2.gz SSFOZFNQEVSOCG-NWDGAFQWSA-N 1 0 313.467 2.038 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1cc2c(s1)CCSC2 ZINC000131151217 196144595 /nfs/dbraw/zinc/14/45/95/196144595.db2.gz QSFQOSTUHOQDLJ-SNVBAGLBSA-N 1 0 305.490 2.362 10 0 DEAERO COc1ccc2c(N)c(C(=O)NCCC[NH+](C)C)sc2c1 ZINC000131221728 196151330 /nfs/dbraw/zinc/15/13/30/196151330.db2.gz VRBGJJBBSMCMEJ-UHFFFAOYSA-N 1 0 307.419 2.174 10 0 DEAERO Cc1c(C[NH3+])cccc1S(=O)(=O)NCCCCC(F)(F)F ZINC000131239378 196152473 /nfs/dbraw/zinc/15/24/73/196152473.db2.gz NGRLMNMXCPJPBW-UHFFFAOYSA-N 1 0 324.368 2.465 10 0 DEAERO O=C(C[C@H]1COCC[NH2+]1)c1ccc(Br)cc1F ZINC000131402858 196165907 /nfs/dbraw/zinc/16/59/07/196165907.db2.gz BPYUNRRGZQHGMX-VIFPVBQESA-N 1 0 302.143 2.149 10 0 DEAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000131392385 196164532 /nfs/dbraw/zinc/16/45/32/196164532.db2.gz WNEOMPVQZGRQNB-QWHCGFSZSA-N 1 0 321.421 2.216 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1nnnn1-c1ccccc1 ZINC000131425082 196167678 /nfs/dbraw/zinc/16/76/78/196167678.db2.gz YQPQGDGWNXSAGU-OAHLLOKOSA-N 1 0 300.410 2.195 10 0 DEAERO C[S@@](=O)CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000131651812 196187714 /nfs/dbraw/zinc/18/77/14/196187714.db2.gz QBNGZDYXCOIXAU-INIZCTEOSA-N 1 0 308.216 2.446 10 0 DEAERO O=C(Nc1cc(Cl)ccc1Br)[C@@H]1C[NH2+]CCO1 ZINC000131654598 196187818 /nfs/dbraw/zinc/18/78/18/196187818.db2.gz GWOJWYOZJNRGHW-JTQLQIEISA-N 1 0 319.586 2.029 10 0 DEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)c1ncccc1F ZINC000131732934 196194503 /nfs/dbraw/zinc/19/45/03/196194503.db2.gz BFTSPAILCUKDPD-CYBMUJFWSA-N 1 0 302.415 2.476 10 0 DEAERO CC[NH2+][C@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)CC(C)C ZINC000131751846 196196153 /nfs/dbraw/zinc/19/61/53/196196153.db2.gz FHBILCFVXRCXSF-HUUCEWRRSA-N 1 0 304.500 2.462 10 0 DEAERO C[NH2+]Cc1ccc(CS(=O)(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC000131793036 196199089 /nfs/dbraw/zinc/19/90/89/196199089.db2.gz SSUXQBUABFUYGD-KGLIPLIRSA-N 1 0 310.463 2.214 10 0 DEAERO COC[C@@H](C)[C@@H](C[NH3+])N1CCN(c2cccc(Cl)c2)CC1 ZINC000131927361 196210891 /nfs/dbraw/zinc/21/08/91/196210891.db2.gz RPBLDIDJDGVALO-CZUORRHYSA-N 1 0 311.857 2.072 10 0 DEAERO COC[C@@H](C)[C@@H](C[NH3+])N(C)Cc1ccc(Br)cc1 ZINC000131957287 196213889 /nfs/dbraw/zinc/21/38/89/196213889.db2.gz PGNNVULTHCOPIU-BXUZGUMPSA-N 1 0 315.255 2.491 10 0 DEAERO Cc1ccccc1[C@H](O)CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132138168 196229425 /nfs/dbraw/zinc/22/94/25/196229425.db2.gz UEDKXHXTRKPNDT-USXIJHARSA-N 1 0 319.449 2.056 10 0 DEAERO CNC(=O)C[NH2+][C@@H]1CCCc2sc(Br)cc21 ZINC000132263501 196239656 /nfs/dbraw/zinc/23/96/56/196239656.db2.gz KBANJFMSFQUINW-MRVPVSSYSA-N 1 0 303.225 2.224 10 0 DEAERO O=C(N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000132326852 196246444 /nfs/dbraw/zinc/24/64/44/196246444.db2.gz CCWZKWOKQFNBOC-UTUOFQBUSA-N 1 0 308.344 2.135 10 0 DEAERO CCCn1ncc(Br)c1[C@@]1(O)CCC[N@H+](C)CC1 ZINC000132497403 196260437 /nfs/dbraw/zinc/26/04/37/196260437.db2.gz FZENWWJRYVLIGM-CYBMUJFWSA-N 1 0 316.243 2.359 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H](COCc2cccc(F)c2Br)O1 ZINC000132495840 196260679 /nfs/dbraw/zinc/26/06/79/196260679.db2.gz OXTFFPOEXQSJRV-ONGXEEELSA-N 1 0 318.186 2.482 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245564224 287270252 /nfs/dbraw/zinc/27/02/52/287270252.db2.gz WEGOXVASBRBSHQ-KLHDSHLOSA-N 1 0 321.465 2.118 10 0 DEAERO CC(C)n1ncc(Br)c1[C@@]1(O)CCC[C@@H]([NH3+])C1 ZINC000132883233 196292926 /nfs/dbraw/zinc/29/29/26/196292926.db2.gz YWJTYIPDOMBBII-BXKDBHETSA-N 1 0 302.216 2.315 10 0 DEAERO CCc1nc(C2([NH2+]C)CCN(C(=O)N(C)C)CC2)sc1C ZINC000132902825 196294853 /nfs/dbraw/zinc/29/48/53/196294853.db2.gz GXQFSJOHVYMPRH-UHFFFAOYSA-N 1 0 310.467 2.206 10 0 DEAERO C[C@@H](CCO)[NH2+]C[C@H]1Cc2cc(Br)ccc2O1 ZINC000133000745 196303502 /nfs/dbraw/zinc/30/35/02/196303502.db2.gz PZGQPLDEDZORMK-JOYOIKCWSA-N 1 0 300.196 2.113 10 0 DEAERO O[C@@H](Cc1cc(Br)ccc1F)C1CC[NH2+]CC1 ZINC000133018549 196305589 /nfs/dbraw/zinc/30/55/89/196305589.db2.gz AUXLQEUXRNNEED-ZDUSSCGKSA-N 1 0 302.187 2.491 10 0 DEAERO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(F)c1Br ZINC000133144341 196315106 /nfs/dbraw/zinc/31/51/06/196315106.db2.gz JYCBISFXKFFAAM-SECBINFHSA-N 1 0 315.186 2.412 10 0 DEAERO CC[C@@H](CSC)NS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000133233171 196323819 /nfs/dbraw/zinc/32/38/19/196323819.db2.gz XDPPHTBLPOZZPH-PWSUYJOCSA-N 1 0 302.465 2.126 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](CC)CSC)cc1 ZINC000133266579 196326409 /nfs/dbraw/zinc/32/64/09/196326409.db2.gz XZVNWFMVETUXHK-ZDUSSCGKSA-N 1 0 316.492 2.216 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000133752575 196334195 /nfs/dbraw/zinc/33/41/95/196334195.db2.gz RNGUFUKLDVJPDY-INIZCTEOSA-N 1 0 310.463 2.291 10 0 DEAERO C[NH+](C)CCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000133899825 196344918 /nfs/dbraw/zinc/34/49/18/196344918.db2.gz HHDBETOQCWVUBT-GFCCVEGCSA-N 1 0 303.328 2.021 10 0 DEAERO CCCc1cc(C(=O)N2CCS[C@@H](C)[C@H]2C)cc(NN)[nH+]1 ZINC000133944010 196348145 /nfs/dbraw/zinc/34/81/45/196348145.db2.gz LFNKBEDTSBHOBG-MNOVXSKESA-N 1 0 308.451 2.286 10 0 DEAERO [NH3+][C@@H]1CN(c2ccc(Br)c(C(F)(F)F)c2)C1=O ZINC000133976611 196351322 /nfs/dbraw/zinc/35/13/22/196351322.db2.gz JUXIYZICPBIFHA-MRVPVSSYSA-N 1 0 309.085 2.142 10 0 DEAERO [NH3+]CCc1nc(-c2nn3c(nnc3C3CCCC3)s2)cs1 ZINC000134010552 196353273 /nfs/dbraw/zinc/35/32/73/196353273.db2.gz HXHXIWMGKDZQQX-UHFFFAOYSA-N 1 0 320.447 2.468 10 0 DEAERO CCn1c(=O)[nH]nc1SC[C@@H]([NH2+]C)c1cc(C)cc(C)c1 ZINC000134129609 196364727 /nfs/dbraw/zinc/36/47/27/196364727.db2.gz ZQQIXRQRIPUTIV-CYBMUJFWSA-N 1 0 306.435 2.261 10 0 DEAERO CC[S@@](=O)CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1c1ccccc1 ZINC000134235434 196372629 /nfs/dbraw/zinc/37/26/29/196372629.db2.gz VJUQEIUXQIKNEU-FVJLSDCUSA-N 1 0 306.475 2.276 10 0 DEAERO COc1cc([C@H](O)[C@H]2CCC[NH2+]2)c(OC)cc1Br ZINC000134271408 196376185 /nfs/dbraw/zinc/37/61/85/196376185.db2.gz SHGKFYZEPIAAHM-MFKMUULPSA-N 1 0 316.195 2.252 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)NCCCF)CC1 ZINC000134361597 196381632 /nfs/dbraw/zinc/38/16/32/196381632.db2.gz JEHFKAHNXFHJPL-UHFFFAOYSA-N 1 0 308.401 2.310 10 0 DEAERO COc1cc(Br)ccc1-c1nc(C[C@@H](C)[NH3+])no1 ZINC000135311245 196462098 /nfs/dbraw/zinc/46/20/98/196462098.db2.gz WGBUBGZUJHHWFM-SSDOTTSWSA-N 1 0 312.167 2.397 10 0 DEAERO CC[C@@H]1CC[C@@H](C)N1c1nc(NN)[nH+]cc1Br ZINC000136812511 196553305 /nfs/dbraw/zinc/55/33/05/196553305.db2.gz QIBXFYDSEBUBLE-HTQZYQBOSA-N 1 0 300.204 2.292 10 0 DEAERO COC[C@H]([NH2+]CCC(=O)Nc1ccccc1)C1CCOCC1 ZINC000188007798 225007137 /nfs/dbraw/zinc/00/71/37/225007137.db2.gz DDLSVGQNYSLOIN-INIZCTEOSA-N 1 0 306.406 2.046 10 0 DEAERO C[C@@H]1CCC[C@@H](CC[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000329144344 287394005 /nfs/dbraw/zinc/39/40/05/287394005.db2.gz WGFOCIDVQIWHHR-BASYENTBSA-N 1 0 318.465 2.498 10 0 DEAERO COC[C@H](C)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000037847520 424808649 /nfs/dbraw/zinc/80/86/49/424808649.db2.gz DGXFVRJDZXZCDY-VHSXEESVSA-N 1 0 308.205 2.358 10 0 DEAERO CC(C)([NH3+])c1cn(Cc2ccc(Br)cc2F)nn1 ZINC000070117848 424841715 /nfs/dbraw/zinc/84/17/15/424841715.db2.gz FBYWBMHBUWMREN-UHFFFAOYSA-N 1 0 313.174 2.422 10 0 DEAERO C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000068047632 424842149 /nfs/dbraw/zinc/84/21/49/424842149.db2.gz OIEWNYYCCLVVEW-CVEARBPZSA-N 1 0 313.825 2.328 10 0 DEAERO CCn1ncnc1CNC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379650348 424908182 /nfs/dbraw/zinc/90/81/82/424908182.db2.gz RNBJHHNAETZXLL-KRWDZBQOSA-N 1 0 313.449 2.442 10 0 DEAERO CNC(=O)[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1N ZINC000382391224 424909568 /nfs/dbraw/zinc/90/95/68/424909568.db2.gz USPPQABLXXXKEU-LLVKDONJSA-N 1 0 302.205 2.286 10 0 DEAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400214092 424923338 /nfs/dbraw/zinc/92/33/38/424923338.db2.gz WKBWIBZLYFRYRJ-MGPQQGTHSA-N 1 0 302.484 2.215 10 0 DEAERO CCN(C)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404135621 424925657 /nfs/dbraw/zinc/92/56/57/424925657.db2.gz CAAIDBPEIHKCRS-SJORKVTESA-N 1 0 317.433 2.033 10 0 DEAERO CC(C)O[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000404487755 424927864 /nfs/dbraw/zinc/92/78/64/424927864.db2.gz ODNDTBIJZYEMJO-MSOLQXFVSA-N 1 0 307.434 2.454 10 0 DEAERO CC(C)C[C@](C)(C[NH3+])NC(=O)c1nscc1Br ZINC000404927067 424929483 /nfs/dbraw/zinc/92/94/83/424929483.db2.gz IBFMSJAGXKDUTQ-LLVKDONJSA-N 1 0 320.256 2.399 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000309856724 424894270 /nfs/dbraw/zinc/89/42/70/424894270.db2.gz LLCUNGMVURLKPJ-WWGRRREGSA-N 1 0 300.443 2.383 10 0 DEAERO Fc1ccc(Br)cc1C[NH2+]C1COCCOC1 ZINC000310420052 424894934 /nfs/dbraw/zinc/89/49/34/424894934.db2.gz YRSWPWIAWKXNQX-UHFFFAOYSA-N 1 0 304.159 2.093 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1c1ccc(N)nc1 ZINC000616633298 425098244 /nfs/dbraw/zinc/09/82/44/425098244.db2.gz OUZAABGNDZJLRG-CYBMUJFWSA-N 1 0 306.410 2.325 10 0 DEAERO CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CC=C(C)CC1 ZINC000656857829 425214145 /nfs/dbraw/zinc/21/41/45/425214145.db2.gz WOQNJGFMABMLNL-GRDNDAEWSA-N 1 0 302.422 2.311 10 0 DEAERO CCc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[nH]n1 ZINC000032237026 267365230 /nfs/dbraw/zinc/36/52/30/267365230.db2.gz KTTKZSNWKKNWFD-UHFFFAOYSA-N 1 0 312.417 2.498 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CCS(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000081095291 267378001 /nfs/dbraw/zinc/37/80/01/267378001.db2.gz DPZJVEGEGMAYNE-WBVHZDCISA-N 1 0 324.490 2.122 10 0 DEAERO CCc1noc(CC)c1CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000087220513 267393530 /nfs/dbraw/zinc/39/35/30/267393530.db2.gz YXNHXHBBTAXXFZ-UHFFFAOYSA-N 1 0 305.422 2.039 10 0 DEAERO OCC1CC([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000657808320 425405083 /nfs/dbraw/zinc/40/50/83/425405083.db2.gz FECDBLXUSRVGJZ-UHFFFAOYSA-N 1 0 314.179 2.038 10 0 DEAERO Cn1cc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000192773115 267745727 /nfs/dbraw/zinc/74/57/27/267745727.db2.gz LSNBEJPFNWLHGY-UHFFFAOYSA-N 1 0 313.405 2.338 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000194697671 268555898 /nfs/dbraw/zinc/55/58/98/268555898.db2.gz KMIIDEKFLMZYCE-LBPRGKRZSA-N 1 0 316.323 2.338 10 0 DEAERO Cc1cnc(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)o1 ZINC000333190214 268900745 /nfs/dbraw/zinc/90/07/45/268900745.db2.gz UUUQNOKOWWALAT-UHFFFAOYSA-N 1 0 304.394 2.258 10 0 DEAERO CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCC[NH2+]C2)C12CCCC2 ZINC000333418716 268943520 /nfs/dbraw/zinc/94/35/20/268943520.db2.gz SFFDRQWSKNFDDI-RRFJBIMHSA-N 1 0 309.454 2.166 10 0 DEAERO Cc1cnc([C@H](C)NC(=O)N2CCC3(CC[NH2+]C3)CC2)s1 ZINC000333650024 268971442 /nfs/dbraw/zinc/97/14/42/268971442.db2.gz VOOMNNZYBBEQAG-LBPRGKRZSA-N 1 0 308.451 2.298 10 0 DEAERO C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000333720834 268982530 /nfs/dbraw/zinc/98/25/30/268982530.db2.gz GOOQHEBKIAPULO-MAZHCROVSA-N 1 0 321.396 2.049 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333883435 269000118 /nfs/dbraw/zinc/00/01/18/269000118.db2.gz FDPLYLYRPAJVBL-MELADBBJSA-N 1 0 303.406 2.007 10 0 DEAERO C[C@@H]1C[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)O1 ZINC000334026850 269008310 /nfs/dbraw/zinc/00/83/10/269008310.db2.gz HRDQKHODNRAFOL-QGGMXYOTSA-N 1 0 309.454 2.114 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000363718807 269073541 /nfs/dbraw/zinc/07/35/41/269073541.db2.gz NSOAAYXZBHRIRZ-SJORKVTESA-N 1 0 316.449 2.140 10 0 DEAERO C[C@H](COCc1ccccc1)[NH2+]Cc1cnc(N(C)C)n1C ZINC000390527413 269097367 /nfs/dbraw/zinc/09/73/67/269097367.db2.gz JWWKKUUQKYSXOY-CQSZACIVSA-N 1 0 302.422 2.181 10 0 DEAERO Cn1cncc1CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000401720524 269112285 /nfs/dbraw/zinc/11/22/85/269112285.db2.gz ZVXBAYKWDIWJGH-AWEZNQCLSA-N 1 0 322.453 2.342 10 0 DEAERO O=S1(=O)CCCN1CC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000405440257 269112917 /nfs/dbraw/zinc/11/29/17/269112917.db2.gz IKKZCKYIOQNEQO-CQSZACIVSA-N 1 0 300.468 2.115 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3ccc(OC)cc31)CC2 ZINC000180608611 273776049 /nfs/dbraw/zinc/77/60/49/273776049.db2.gz RKWABSFRQIWGNJ-CJNGLKHVSA-N 1 0 312.417 2.441 10 0 DEAERO COc1ccc(-c2nc3c(c(N4CC[NH2+]CC4)n2)CCC3)cc1 ZINC000057328767 274104299 /nfs/dbraw/zinc/10/42/99/274104299.db2.gz KADDCEMEDSCMOL-UHFFFAOYSA-N 1 0 310.401 2.051 10 0 DEAERO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)[C@@H]1CCCO1 ZINC000183165939 274246061 /nfs/dbraw/zinc/24/60/61/274246061.db2.gz YXKSQVGYCZCEGV-PWSUYJOCSA-N 1 0 321.402 2.499 10 0 DEAERO O=C([C@@H]1CCCc2c(O)cccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248914464 275004913 /nfs/dbraw/zinc/00/49/13/275004913.db2.gz SJKAXFHAMCVHLW-XJKSGUPXSA-N 1 0 300.402 2.119 10 0 DEAERO c1cc(N2CCCC2)ncc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247256046 275064531 /nfs/dbraw/zinc/06/45/31/275064531.db2.gz XKQGTEATUOLMCR-HZPDHXFCSA-N 1 0 319.474 2.388 10 0 DEAERO c1ccc2c(c1)CC[C@H](C[NH+]1CCN(c3cnccn3)CC1)C2 ZINC000359586948 275069881 /nfs/dbraw/zinc/06/98/81/275069881.db2.gz DKYLYXUYENWTNO-INIZCTEOSA-N 1 0 308.429 2.404 10 0 DEAERO CC[N@H+](Cc1ccccc1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000132091806 276142379 /nfs/dbraw/zinc/14/23/79/276142379.db2.gz KRLBWWKJFIDCET-INIZCTEOSA-N 1 0 312.417 2.438 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000357796917 276160529 /nfs/dbraw/zinc/16/05/29/276160529.db2.gz IVRBQKRFCWAXDP-HNNXBMFYSA-N 1 0 315.421 2.237 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCNc2ccccn2)C1 ZINC000105174576 276166702 /nfs/dbraw/zinc/16/67/02/276166702.db2.gz YLJFUQVOUXISRR-OAHLLOKOSA-N 1 0 319.453 2.057 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000176995890 276181551 /nfs/dbraw/zinc/18/15/51/276181551.db2.gz OIMSDDMJGABSMK-KRWDZBQOSA-N 1 0 312.417 2.429 10 0 DEAERO CC[N@@H+]1CC[C@@H]2OCCN(CCc3ccc(F)c(F)c3)[C@@H]2C1 ZINC000339385525 276220153 /nfs/dbraw/zinc/22/01/53/276220153.db2.gz QLCLKJMTTJHKAC-SJORKVTESA-N 1 0 310.388 2.302 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)C12CCOCC2 ZINC000186271245 276481605 /nfs/dbraw/zinc/48/16/05/276481605.db2.gz WJOJPPJKOUTQRI-WNRNVDISSA-N 1 0 317.429 2.209 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453056622 276994551 /nfs/dbraw/zinc/99/45/51/276994551.db2.gz GNDFXYJXIOWSSM-BBRMVZONSA-N 1 0 321.490 2.440 10 0 DEAERO CN(c1cccnn1)C1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105806682 277003473 /nfs/dbraw/zinc/00/34/73/277003473.db2.gz GCWKCYAULHMKBC-KRWDZBQOSA-N 1 0 312.417 2.111 10 0 DEAERO CC(=O)Nc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155531847 277070958 /nfs/dbraw/zinc/07/09/58/277070958.db2.gz NLXKNRMSKDTVSK-LRDDRELGSA-N 1 0 303.406 2.104 10 0 DEAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)C3CCCCC3)C2)CC1 ZINC000173275980 277111447 /nfs/dbraw/zinc/11/14/47/277111447.db2.gz WTZGPRAZLJYUBH-KRWDZBQOSA-N 1 0 307.482 2.195 10 0 DEAERO COC1([C@H](C)[NH2+]C[C@@H](Cc2ccccc2)N(C)C)CCOCC1 ZINC000453050708 277190641 /nfs/dbraw/zinc/19/06/41/277190641.db2.gz ADIHHNNKNVJZIE-FUHWJXTLSA-N 1 0 320.477 2.333 10 0 DEAERO COC[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000262318237 277567068 /nfs/dbraw/zinc/56/70/68/277567068.db2.gz CLUYELKRUKSYIE-QZTJIDSGSA-N 1 0 310.397 2.134 10 0 DEAERO COc1ccccc1/C=C/CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188890344 278045647 /nfs/dbraw/zinc/04/56/47/278045647.db2.gz OHKHDECTMDJAAP-MNDMWVCDSA-N 1 0 318.461 2.485 10 0 DEAERO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)C1CC1 ZINC000248202576 278160251 /nfs/dbraw/zinc/16/02/51/278160251.db2.gz ZEYFPVKPJRHOQZ-ALKREAHSSA-N 1 0 320.477 2.403 10 0 DEAERO CC1(C)CN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CC[C@H]1[NH3+] ZINC000261774922 278315044 /nfs/dbraw/zinc/31/50/44/278315044.db2.gz GYLPWAXCLRUWKY-GMBSWORKSA-N 1 0 314.429 2.313 10 0 DEAERO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000181955700 278479130 /nfs/dbraw/zinc/47/91/30/278479130.db2.gz XRGQRXGACPELQJ-MCIONIFRSA-N 1 0 315.479 2.137 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000188148945 278990787 /nfs/dbraw/zinc/99/07/87/278990787.db2.gz XNFWEEOLFDWIIF-AWEZNQCLSA-N 1 0 313.486 2.344 10 0 DEAERO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000471685108 279097948 /nfs/dbraw/zinc/09/79/48/279097948.db2.gz ACAJNVUIENGGFH-NTZNESFSSA-N 1 0 319.371 2.453 10 0 DEAERO C[C@@](C[NH3+])(NS(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000130369387 279148740 /nfs/dbraw/zinc/14/87/40/279148740.db2.gz XMZLPQOTZUIDEY-LBPRGKRZSA-N 1 0 323.245 2.399 10 0 DEAERO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000150767337 279174866 /nfs/dbraw/zinc/17/48/66/279174866.db2.gz GORPLZRMBCLQIC-INIZCTEOSA-N 1 0 323.481 2.001 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(C/C=C\c2ccccc2OC)CC1 ZINC000255512987 288110545 /nfs/dbraw/zinc/11/05/45/288110545.db2.gz FJOKTHNIZFOPJW-QLBOMPFWSA-N 1 0 304.434 2.097 10 0 DEAERO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC[N@@H+](C2CC2)CC1 ZINC000178869393 279213033 /nfs/dbraw/zinc/21/30/33/279213033.db2.gz LKFABFQJNBZNID-HRCADAONSA-N 1 0 307.482 2.335 10 0 DEAERO CC(C)N(C(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C)c1ccccc1 ZINC000103285664 279285098 /nfs/dbraw/zinc/28/50/98/279285098.db2.gz BDBLCQJTTTWTOG-LSDHHAIUSA-N 1 0 317.433 2.014 10 0 DEAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261900072 279395111 /nfs/dbraw/zinc/39/51/11/279395111.db2.gz YTWSJJUQZMHAPY-DYQSUWPFSA-N 1 0 313.804 2.078 10 0 DEAERO C[C@H]1Cc2ccccc2N1C(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000262409418 280030952 /nfs/dbraw/zinc/03/09/52/280030952.db2.gz CZPRVFRSSBRXRU-IJEWVQPXSA-N 1 0 301.434 2.023 10 0 DEAERO CCS(=O)(=O)c1ccccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228549526 280034781 /nfs/dbraw/zinc/03/47/81/280034781.db2.gz HEFBCEDGXPOJPH-BFHYXJOUSA-N 1 0 308.447 2.044 10 0 DEAERO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261960086 280083345 /nfs/dbraw/zinc/08/33/45/280083345.db2.gz PKSXQWFAJUUMHZ-ILOCAZANSA-N 1 0 310.482 2.184 10 0 DEAERO O=C1CNC(=O)N1CC[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000077381376 280265734 /nfs/dbraw/zinc/26/57/34/280265734.db2.gz IUNAISGSCLMHJC-UHFFFAOYSA-N 1 0 315.417 2.373 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000248413032 280379283 /nfs/dbraw/zinc/37/92/83/280379283.db2.gz KTGVITOJOMDUPM-BPKGMFCQSA-N 1 0 310.482 2.362 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000229326054 280516417 /nfs/dbraw/zinc/51/64/17/280516417.db2.gz JSNQXQHMWYYIFX-OCCSQVGLSA-N 1 0 314.426 2.333 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261726368 280517057 /nfs/dbraw/zinc/51/70/57/280517057.db2.gz QRXRFUUDBIHMBV-HZMBPMFUSA-N 1 0 314.426 2.190 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H](CO)CC(C)C ZINC000185469231 281053566 /nfs/dbraw/zinc/05/35/66/281053566.db2.gz UFUHOSMDJHJDAW-HOTGVXAUSA-N 1 0 313.486 2.299 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCc1ccccc1 ZINC000173828907 281194847 /nfs/dbraw/zinc/19/48/47/281194847.db2.gz LZLYBIGJEWWLHH-DLBZAZTESA-N 1 0 322.474 2.118 10 0 DEAERO CC1(C)C[N@H+](CCCOCC(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000373795786 281236228 /nfs/dbraw/zinc/23/62/28/281236228.db2.gz GEBKKGKQRGJTNV-CYBMUJFWSA-N 1 0 311.344 2.225 10 0 DEAERO CC1(C)CN([C@@H]2CCCN(c3ccccc3)C2=O)CC[C@H]1[NH3+] ZINC000261601172 281261365 /nfs/dbraw/zinc/26/13/65/281261365.db2.gz AEDVDHPRFINCTH-HZPDHXFCSA-N 1 0 301.434 2.241 10 0 DEAERO CC[NH+](CC)CCNC(=O)NCc1ccn(C2CCCC2)n1 ZINC000128518983 281888113 /nfs/dbraw/zinc/88/81/13/281888113.db2.gz NUKQAOSEDYJYHX-UHFFFAOYSA-N 1 0 307.442 2.139 10 0 DEAERO C[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000135134762 282062948 /nfs/dbraw/zinc/06/29/48/282062948.db2.gz UUBPHMYTOGYALP-LLVKDONJSA-N 1 0 314.788 2.379 10 0 DEAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122668734 289081171 /nfs/dbraw/zinc/08/11/71/289081171.db2.gz BOHJAVLQDGOKHA-WVZRYYJFSA-N 1 0 302.418 2.492 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCO1 ZINC000245944593 289200106 /nfs/dbraw/zinc/20/01/06/289200106.db2.gz UKKVCIBZAPYFHI-MWDXBVQZSA-N 1 0 308.466 2.382 10 0 DEAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)C(C3CC3)C3CC3)C2)CC1 ZINC000157077891 290054480 /nfs/dbraw/zinc/05/44/80/290054480.db2.gz IUXWQOFBOKIDRB-QGZVFWFLSA-N 1 0 319.493 2.051 10 0 DEAERO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000249777884 290056708 /nfs/dbraw/zinc/05/67/08/290056708.db2.gz CMYOTPMBPCYOKA-JQFCIGGWSA-N 1 0 323.458 2.320 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCO)[C@H]1c1ccccc1 ZINC000179487199 290139576 /nfs/dbraw/zinc/13/95/76/290139576.db2.gz GUDWFADEPIGBNV-HZPDHXFCSA-N 1 0 319.449 2.140 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000155917671 293119574 /nfs/dbraw/zinc/11/95/74/293119574.db2.gz BPCOAZLRGMFWRM-XUJVJEKNSA-N 1 0 304.438 2.215 10 0 DEAERO C[C@@H]1CN(CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CCO1 ZINC000191477736 297002495 /nfs/dbraw/zinc/00/24/95/297002495.db2.gz KAWCXMUBMRNNQT-GDBMZVCRSA-N 1 0 318.417 2.273 10 0 DEAERO COCc1ccccc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000157080027 293316758 /nfs/dbraw/zinc/31/67/58/293316758.db2.gz LLLAOAKNMQQLHO-PBHICJAKSA-N 1 0 319.449 2.361 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c(C)s1 ZINC000227195996 301382940 /nfs/dbraw/zinc/38/29/40/301382940.db2.gz RKIXJTDKMOINPZ-BXKDBHETSA-N 1 0 302.465 2.113 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000262595211 301772379 /nfs/dbraw/zinc/77/23/79/301772379.db2.gz XKKXGJOJZVJHRD-IKGGRYGDSA-N 1 0 302.418 2.316 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000187664636 332981347 /nfs/dbraw/zinc/98/13/47/332981347.db2.gz MDQOTRBACSZSSZ-DLBZAZTESA-N 1 0 305.466 2.069 10 0 DEAERO COC[C@@H](C)C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000187715808 332984592 /nfs/dbraw/zinc/98/45/92/332984592.db2.gz RYFJEEDCOMQTAS-BBRMVZONSA-N 1 0 306.406 2.176 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000187837234 332989873 /nfs/dbraw/zinc/98/98/73/332989873.db2.gz CXGLJGYMXHJFGE-ZFWWWQNUSA-N 1 0 312.479 2.302 10 0 DEAERO COC[C@@H](C)C[NH2+][C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000188080703 333026320 /nfs/dbraw/zinc/02/63/20/333026320.db2.gz VCFVCHICBIAWGE-KBPBESRZSA-N 1 0 308.422 2.155 10 0 DEAERO COC[C@@H](C)C[NH2+][C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000188145842 333038047 /nfs/dbraw/zinc/03/80/47/333038047.db2.gz YTSLGUNNJVRIMR-HOCLYGCPSA-N 1 0 322.449 2.150 10 0 DEAERO COC[C@@H](C)C[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000188231750 333039590 /nfs/dbraw/zinc/03/95/90/333039590.db2.gz XSLGRNHPQHHHGD-IINYFYTJSA-N 1 0 314.788 2.457 10 0 DEAERO Cc1oc2ccccc2c1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189399982 333083682 /nfs/dbraw/zinc/08/36/82/333083682.db2.gz KFAZXMKOFFLUJT-UHFFFAOYSA-N 1 0 302.374 2.193 10 0 DEAERO Cc1cc(CCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc(C)c1O ZINC000189488803 333093758 /nfs/dbraw/zinc/09/37/58/333093758.db2.gz MBOQTKRLKGTQEB-INIZCTEOSA-N 1 0 319.449 2.193 10 0 DEAERO CCOc1ccc(CN2CC[NH+](C[C@H](C)COC)CC2)cc1 ZINC000189602160 333155206 /nfs/dbraw/zinc/15/52/06/333155206.db2.gz LVHSRBYKWPYUJO-INIZCTEOSA-N 1 0 306.450 2.485 10 0 DEAERO CO[C@@H]([C@@H](C)[NH2+]Cc1c(Br)cnn1C)C1CC1 ZINC000388349627 333278601 /nfs/dbraw/zinc/27/86/01/333278601.db2.gz NVXZDVYZIUZKQO-PELKAZGASA-N 1 0 302.216 2.086 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(Cc1nc(C3CC3)nn1C)CC2 ZINC000582902088 337213306 /nfs/dbraw/zinc/21/33/06/337213306.db2.gz GCOYGXAVOKMRBS-UHFFFAOYSA-N 1 0 324.428 2.496 10 0 DEAERO O=C(Nc1ccc(Cl)nc1)c1ccc(OC2C[NH2+]C2)cc1 ZINC000584592314 337373550 /nfs/dbraw/zinc/37/35/50/337373550.db2.gz PQCMBYTWNZXLGC-UHFFFAOYSA-N 1 0 303.749 2.338 10 0 DEAERO Cc1cc(-c2c[nH]c3ncc(NC4CC[NH2+]CC4)nc23)ccn1 ZINC000584638833 337379617 /nfs/dbraw/zinc/37/96/17/337379617.db2.gz KJHMFRKEEGEBLU-UHFFFAOYSA-N 1 0 308.389 2.492 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(I)cn1 ZINC000420234052 534087672 /nfs/dbraw/zinc/08/76/72/534087672.db2.gz GNSPVGRZXUYPLG-SCZZXKLOSA-N 1 0 317.174 2.096 10 0 DEAERO COc1ccc(O)cc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000188549911 534211180 /nfs/dbraw/zinc/21/11/80/534211180.db2.gz PTNKVMWGEYDTTJ-CYBMUJFWSA-N 1 0 306.406 2.253 10 0 DEAERO CC(C)(C)OC(=O)CC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000163604507 518788919 /nfs/dbraw/zinc/78/89/19/518788919.db2.gz NXATVTDFYMAABA-UHFFFAOYSA-N 1 0 319.449 2.367 10 0 DEAERO Cc1ccc2c(CCNC(=O)C[N@@H+](C)C(C)C)cn(C)c2c1 ZINC000188418658 534382923 /nfs/dbraw/zinc/38/29/23/534382923.db2.gz VTKVUPCUQREJJZ-UHFFFAOYSA-N 1 0 301.434 2.486 10 0 DEAERO O[C@H](C[C@@H]1CCC[N@H+]1C[C@@H](O)CC(F)(F)F)c1ccco1 ZINC000248934794 534432808 /nfs/dbraw/zinc/43/28/08/534432808.db2.gz BTZSAGAUJGQRGL-SDDRHHMPSA-N 1 0 307.312 2.481 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCCc2c(C)noc2C)CC1 ZINC000107390574 519842719 /nfs/dbraw/zinc/84/27/19/519842719.db2.gz MXWFYHFGDKLZHP-UHFFFAOYSA-N 1 0 322.453 2.255 10 0 DEAERO CCN(C(=O)NC[C@H]1CCC[N@@H+]1CCOC)C1CCCCC1 ZINC000111867797 519967440 /nfs/dbraw/zinc/96/74/40/519967440.db2.gz RAZLIMYSOFFUOD-MRXNPFEDSA-N 1 0 311.470 2.461 10 0 DEAERO CCOc1ccccc1OCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124247972 521557635 /nfs/dbraw/zinc/55/76/35/521557635.db2.gz NJAMYNDNTHNMDQ-CABCVRRESA-N 1 0 320.433 2.405 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000245971329 521644442 /nfs/dbraw/zinc/64/44/42/521644442.db2.gz OCAOAXQXMCVXPW-GJZGRUSLSA-N 1 0 305.426 2.131 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCCCc2c[nH]c3ccccc23)C1 ZINC000107851680 522101687 /nfs/dbraw/zinc/10/16/87/522101687.db2.gz CWRASQFOFQUFON-HNNXBMFYSA-N 1 0 314.433 2.446 10 0 DEAERO CN(C)c1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000152992798 522276218 /nfs/dbraw/zinc/27/62/18/522276218.db2.gz UDZRZNCOPRQCCU-UHFFFAOYSA-N 1 0 317.437 2.240 10 0 DEAERO CCc1nc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)cs1 ZINC000105862533 522288906 /nfs/dbraw/zinc/28/89/06/522288906.db2.gz BGLVQIJTQVNAFY-ZDUSSCGKSA-N 1 0 311.495 2.230 10 0 DEAERO CC[C@](C)(O)CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000105091438 523501024 /nfs/dbraw/zinc/50/10/24/523501024.db2.gz MMKFNIIFXHJDQH-SFHVURJKSA-N 1 0 319.449 2.243 10 0 DEAERO O=C(Cc1cccc(C(F)F)c1)NCCNc1cc[nH+]cc1 ZINC000448036233 534719697 /nfs/dbraw/zinc/71/96/97/534719697.db2.gz WSGRGLZQQRGXQR-UHFFFAOYSA-N 1 0 305.328 2.212 10 0 DEAERO CC(=O)Nc1ccc(N[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262031910 534746868 /nfs/dbraw/zinc/74/68/68/534746868.db2.gz XQHOROMUEHSZAW-BBWFWOEESA-N 1 0 303.406 2.214 10 0 DEAERO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1 ZINC000248841834 524179652 /nfs/dbraw/zinc/17/96/52/524179652.db2.gz QBACXPRUQIYJII-YVSFHVDLSA-N 1 0 307.434 2.277 10 0 DEAERO C[C@H](CCn1cccn1)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000159135006 524268107 /nfs/dbraw/zinc/26/81/07/524268107.db2.gz ZHPIMSHRPIXFMG-SNVBAGLBSA-N 1 0 301.316 2.204 10 0 DEAERO Cc1cc(NC(=O)CC[N@@H+](C)CCc2ncc(C)s2)no1 ZINC000157571088 525125004 /nfs/dbraw/zinc/12/50/04/525125004.db2.gz SRMMCPIRFAIOQG-UHFFFAOYSA-N 1 0 308.407 2.251 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000249787327 525305995 /nfs/dbraw/zinc/30/59/95/525305995.db2.gz DQFKADOOJVCATM-MPTQWLOMSA-N 1 0 315.417 2.009 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000248831718 525306569 /nfs/dbraw/zinc/30/65/69/525306569.db2.gz BQMLQKBIOXNYOU-GUYJKWIASA-N 1 0 315.417 2.151 10 0 DEAERO COc1cccc(C[C@@H]([NH2+]C[C@@H](C)N2CCOCC2)C2CC2)c1 ZINC000120991102 526073882 /nfs/dbraw/zinc/07/38/82/526073882.db2.gz TXGMKDZHOUSIHM-DNVCBOLYSA-N 1 0 318.461 2.327 10 0 DEAERO O=C(N[C@H]1CCc2c[nH]nc2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000366038818 527069630 /nfs/dbraw/zinc/06/96/30/527069630.db2.gz BUYAUQSVSZJRGC-KRWDZBQOSA-N 1 0 324.428 2.293 10 0 DEAERO [NH3+][C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)C1CC1 ZINC000245645733 527386938 /nfs/dbraw/zinc/38/69/38/527386938.db2.gz CBOTTYLPWONYBV-HZSPNIEDSA-N 1 0 323.234 2.406 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(=O)n(C)c2c1 ZINC000443176508 528231723 /nfs/dbraw/zinc/23/17/23/528231723.db2.gz QJZZDDUXKMVOIL-ZDUSSCGKSA-N 1 0 302.378 2.092 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1cccc(F)c1F ZINC000189138061 528501777 /nfs/dbraw/zinc/50/17/77/528501777.db2.gz UUSQPIOPRRLAGP-LLVKDONJSA-N 1 0 320.405 2.219 10 0 DEAERO CCCCOC[C@H](O)CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000193373971 528623447 /nfs/dbraw/zinc/62/34/47/528623447.db2.gz MSXIMHFBYISWLJ-MRXNPFEDSA-N 1 0 300.487 2.218 10 0 DEAERO CC(C)N(C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000262554086 534936876 /nfs/dbraw/zinc/93/68/76/534936876.db2.gz SYMWSRNRCZHHRP-INIZCTEOSA-N 1 0 303.450 2.487 10 0 DEAERO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000246276732 535116475 /nfs/dbraw/zinc/11/64/75/535116475.db2.gz ADIKJWQKYMYWJH-UONOGXRCSA-N 1 0 320.433 2.408 10 0 DEAERO CC(C)(CO)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000452431904 535166114 /nfs/dbraw/zinc/16/61/14/535166114.db2.gz CSEYGISQUAOVOE-UHFFFAOYSA-N 1 0 304.434 2.421 10 0 DEAERO CC(C)c1n[nH]cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000189440799 535325292 /nfs/dbraw/zinc/32/52/92/535325292.db2.gz JJAUXBOYBPSCDR-AWEZNQCLSA-N 1 0 304.438 2.481 10 0 DEAERO CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249580912 535385306 /nfs/dbraw/zinc/38/53/06/535385306.db2.gz RBCZUWSVOGCNSG-CWRNSKLLSA-N 1 0 324.490 2.307 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@H](OC)C2CC2)CC1 ZINC000454654399 535449904 /nfs/dbraw/zinc/44/99/04/535449904.db2.gz OGUNKQJFIHGOEU-CJNGLKHVSA-N 1 0 311.470 2.221 10 0 DEAERO CC[NH2+]CC1CCN(CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000262326171 535458238 /nfs/dbraw/zinc/45/82/38/535458238.db2.gz RSOBGZNGDWFIMX-UHFFFAOYSA-N 1 0 311.376 2.225 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CN2CCCCC2)C12CCOCC2 ZINC000248997435 535516581 /nfs/dbraw/zinc/51/65/81/535516581.db2.gz MIXZKBDEMMHFQC-IXDOHACOSA-N 1 0 310.482 2.425 10 0 DEAERO CCOc1ccccc1OCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261766997 535535350 /nfs/dbraw/zinc/53/53/50/535535350.db2.gz FNBDMZKDCNMPTI-OAHLLOKOSA-N 1 0 306.406 2.050 10 0 DEAERO CCCc1noc(CCCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000247063040 535559856 /nfs/dbraw/zinc/55/98/56/535559856.db2.gz HJJIVJDWZQKLPW-KGLIPLIRSA-N 1 0 320.437 2.040 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccnn2[C@@H](C)C2CC2)C1 ZINC000187729315 535577941 /nfs/dbraw/zinc/57/79/41/535577941.db2.gz RIASGNARPSUPNH-JSGCOSHPSA-N 1 0 305.426 2.460 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)c1nccs1 ZINC000248553732 535585768 /nfs/dbraw/zinc/58/57/68/535585768.db2.gz HOMWXXRQEMWRFJ-STQMWFEESA-N 1 0 310.467 2.372 10 0 DEAERO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC3(C2)CCCCC3)CC1 ZINC000357726685 535634683 /nfs/dbraw/zinc/63/46/83/535634683.db2.gz HTDYVWJOSRXHTM-INIZCTEOSA-N 1 0 307.482 2.195 10 0 DEAERO CCC[C@]1(C)CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262322655 535766227 /nfs/dbraw/zinc/76/62/27/535766227.db2.gz RNUZONJIAWRCLY-SOLBZPMBSA-N 1 0 318.465 2.152 10 0 DEAERO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H](CO)C1CC1 ZINC000359773759 535975442 /nfs/dbraw/zinc/97/54/42/535975442.db2.gz KMKMTIPFIUDWQB-ZDUSSCGKSA-N 1 0 316.401 2.243 10 0 DEAERO CN(C)C(=O)c1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246538181 536102462 /nfs/dbraw/zinc/10/24/62/536102462.db2.gz AODNZMSRRPDSFT-HZPDHXFCSA-N 1 0 320.458 2.095 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc4c3OCCO4)CC[C@H]21 ZINC000248074290 536380057 /nfs/dbraw/zinc/38/00/57/536380057.db2.gz MUQMXOAHFACETO-UKRRQHHQSA-N 1 0 316.401 2.014 10 0 DEAERO C[NH2+][C@H](C)CNC(=O)c1cccc(OCc2c(C)noc2C)c1 ZINC000261682841 536401142 /nfs/dbraw/zinc/40/11/42/536401142.db2.gz HSFXWFXRLMLFHL-LLVKDONJSA-N 1 0 317.389 2.208 10 0 DEAERO COc1ccc(F)c(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261948276 536608546 /nfs/dbraw/zinc/60/85/46/536608546.db2.gz VXHIYOGAIUSORR-JDSLSITLSA-N 1 0 322.380 2.305 10 0 DEAERO COC(=O)c1ccc(CN(CC[NH3+])CCc2ccccc2)cc1 ZINC000261953986 536662320 /nfs/dbraw/zinc/66/23/20/536662320.db2.gz GKWPWXKGTIGRIM-UHFFFAOYSA-N 1 0 312.413 2.477 10 0 DEAERO CO[C@@H]1C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC[C@H]1C ZINC000251907571 536731180 /nfs/dbraw/zinc/73/11/80/536731180.db2.gz RLTPXUOSMKHIBG-BXUZGUMPSA-N 1 0 321.808 2.205 10 0 DEAERO COc1cc(CNC(=O)C[C@@H](C)[NH3+])ccc1OC1CCCC1 ZINC000261856799 536779436 /nfs/dbraw/zinc/77/94/36/536779436.db2.gz PIRFCKPJPAZJON-GFCCVEGCSA-N 1 0 306.406 2.370 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000457854892 536881278 /nfs/dbraw/zinc/88/12/78/536881278.db2.gz XLIDTIAZWINBNB-UHFFFAOYSA-N 1 0 318.417 2.386 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000457823369 536882113 /nfs/dbraw/zinc/88/21/13/536882113.db2.gz JRWSATPIZGOWGT-CYBMUJFWSA-N 1 0 306.406 2.240 10 0 DEAERO COc1cccc(COCc2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)c1 ZINC000261777027 537109613 /nfs/dbraw/zinc/10/96/13/537109613.db2.gz NOOZTFKHPOTACC-RHSMWYFYSA-N 1 0 315.373 2.262 10 0 DEAERO CC[C@@]1(C2CN(C(=O)OC(C)(C)C)C2)[NH2+]CCc2nc[nH]c21 ZINC000716166131 563465796 /nfs/dbraw/zinc/46/57/96/563465796.db2.gz YEQKXBZHEZOGRY-INIZCTEOSA-N 1 0 306.410 2.028 10 0 DEAERO COCC[C@H]([NH3+])C(=O)Nc1ccc(Br)c(C)c1 ZINC000052790826 625320046 /nfs/dbraw/zinc/32/00/46/625320046.db2.gz MWMNWJPGNMDXGF-NSHDSACASA-N 1 0 301.184 2.060 10 0 DEAERO Cn1cncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000309974250 625337259 /nfs/dbraw/zinc/33/72/59/625337259.db2.gz PSOAVCZNICLTEH-OLZOCXBDSA-N 1 0 308.426 2.203 10 0 DEAERO C[NH2+][C@H]1CCCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000053203068 625397068 /nfs/dbraw/zinc/39/70/68/625397068.db2.gz ZCCHRZHOBZUEHC-PLWJUESGSA-N 1 0 314.838 2.324 10 0 DEAERO Cc1ccc(O)c(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)n1 ZINC000309689672 625506006 /nfs/dbraw/zinc/50/60/06/625506006.db2.gz WORIBVPPSLRRAF-WAYWQWQTSA-N 1 0 307.394 2.266 10 0 DEAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)C[C@H]([NH3+])C2CCCCC2)C1 ZINC000757153673 623202821 /nfs/dbraw/zinc/20/28/21/623202821.db2.gz PURVNRRVGWUTAE-NFAWXSAZSA-N 1 0 302.484 2.202 10 0 DEAERO C[C@@H]1C[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)cc2)CC[NH2+]1 ZINC000235422232 625653813 /nfs/dbraw/zinc/65/38/13/625653813.db2.gz DSSVABJEDXLQKX-JWILCIIWSA-N 1 0 314.838 2.371 10 0 DEAERO CC(=O)OC1CC[NH+](CCN(C)Cc2ccc(F)cc2)CC1 ZINC000161005761 624197930 /nfs/dbraw/zinc/19/79/30/624197930.db2.gz VVIDHVKANHZASF-UHFFFAOYSA-N 1 0 308.397 2.285 10 0 DEAERO CC(=O)N1c2ccccc2C[C@H]1C(=O)OCCCCC[NH+](C)C ZINC000085985216 624564431 /nfs/dbraw/zinc/56/44/31/624564431.db2.gz SCGYYJBAVBASCP-KRWDZBQOSA-N 1 0 318.417 2.239 10 0 DEAERO O=C(/C=C\c1ccccc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000255438289 624749209 /nfs/dbraw/zinc/74/92/09/624749209.db2.gz OPRZTPDZCFLFKI-WHLNPGIBSA-N 1 0 322.836 2.316 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)C1 ZINC000255469719 624788799 /nfs/dbraw/zinc/78/87/99/624788799.db2.gz LHNLFKXABOZQIJ-BBUPELFUSA-N 1 0 316.401 2.273 10 0 DEAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](C)CBr ZINC000248736594 634454803 /nfs/dbraw/zinc/45/48/03/634454803.db2.gz QXLYLCMWBFXSHA-VXGBXAGGSA-N 1 0 305.260 2.350 10 0 DEAERO CCOC(C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)OCC ZINC000195287344 625785134 /nfs/dbraw/zinc/78/51/34/625785134.db2.gz XXNPBPGFIJEGPG-QGZVFWFLSA-N 1 0 321.465 2.234 10 0 DEAERO CCOC(C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)OCC ZINC000195287355 625785598 /nfs/dbraw/zinc/78/55/98/625785598.db2.gz XXNPBPGFIJEGPG-KRWDZBQOSA-N 1 0 321.465 2.234 10 0 DEAERO O=S(=O)(N[C@H]1CCCC12CCCCC2)[C@@H]1CCC[NH2+]C1 ZINC000312962066 633384451 /nfs/dbraw/zinc/38/44/51/633384451.db2.gz ABMTWGCBOXWRCK-KGLIPLIRSA-N 1 0 300.468 2.161 10 0 DEAERO CC(C)[NH+]1CCC(NCc2nc(Br)c[nH]2)CC1 ZINC000310384397 636666207 /nfs/dbraw/zinc/66/62/07/636666207.db2.gz CCKSKRIIEUZIKN-UHFFFAOYSA-N 1 0 301.232 2.135 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000221605540 637267737 /nfs/dbraw/zinc/26/77/37/637267737.db2.gz IWRRXBVZENERPN-NILFDRSVSA-N 1 0 308.809 2.238 10 0 DEAERO c1cn(-c2cc(C[NH2+]Cc3[nH]nc4ccccc43)ccn2)cn1 ZINC000727467771 637953327 /nfs/dbraw/zinc/95/33/27/637953327.db2.gz CYYDCIDFSUPSCS-UHFFFAOYSA-N 1 0 304.357 2.433 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2ccc3c(c2)CCO3)CC1 ZINC000742099388 638036175 /nfs/dbraw/zinc/03/61/75/638036175.db2.gz MKYIQLYKIXUQIJ-UHFFFAOYSA-N 1 0 302.418 2.473 10 0 DEAERO COC(=O)/C(C)=C/C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000748814278 638593390 /nfs/dbraw/zinc/59/33/90/638593390.db2.gz YHILUELPHIKENB-KGVSQERTSA-N 1 0 322.430 2.062 10 0 DEAERO COC(=O)/C(C)=C/C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000748818364 638594523 /nfs/dbraw/zinc/59/45/23/638594523.db2.gz VJKORJWGEFWBGW-GIDUJCDVSA-N 1 0 322.449 2.076 10 0 DEAERO COC(=O)/C(C)=C\C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000748817050 638595205 /nfs/dbraw/zinc/59/52/05/638595205.db2.gz XUJQJKZCVPOKQN-WACFDSSMSA-N 1 0 322.449 2.076 10 0 DEAERO C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000749362953 638638040 /nfs/dbraw/zinc/63/80/40/638638040.db2.gz GEUSPMWENQKBSN-ZOHQOTHLSA-N 1 0 318.392 2.208 10 0 DEAERO CC(C)c1cnc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000749534782 638658301 /nfs/dbraw/zinc/65/83/01/638658301.db2.gz CRIWEFWLDVAFBY-QLFBSQMISA-N 1 0 307.438 2.482 10 0 DEAERO C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccncc1 ZINC000749566012 638660142 /nfs/dbraw/zinc/66/01/42/638660142.db2.gz VINSQSFMENOVAQ-CABCVRRESA-N 1 0 304.438 2.359 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)C[C@H](OC)C3)C1 ZINC000752924423 639235926 /nfs/dbraw/zinc/23/59/26/639235926.db2.gz ARWNNBLNOYYVIB-CXAGYDPISA-N 1 0 317.433 2.264 10 0 DEAERO O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800737462 645300529 /nfs/dbraw/zinc/30/05/29/645300529.db2.gz HZLVXRRXARTHCQ-MRXNPFEDSA-N 1 0 319.836 2.368 10 0 DEAERO CC(=O)OCC(C)(C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804564473 645790107 /nfs/dbraw/zinc/79/01/07/645790107.db2.gz VOHZEJSSXGFDLY-YIONKMFJSA-N 1 0 310.438 2.049 10 0 DEAERO C[C@H](CCCO)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757131852 645927840 /nfs/dbraw/zinc/92/78/40/645927840.db2.gz ABTGHPWHHGUJDI-GFCCVEGCSA-N 1 0 309.410 2.443 10 0 DEAERO COc1ccc([C@@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cc1OC ZINC000757185688 645937874 /nfs/dbraw/zinc/93/78/74/645937874.db2.gz ZCAKQEMIBJDLFC-QWHCGFSZSA-N 1 0 307.390 2.349 10 0 DEAERO COc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc2occc21 ZINC000222571263 646452881 /nfs/dbraw/zinc/45/28/81/646452881.db2.gz NHVHWYMZIYVHRQ-CQSZACIVSA-N 1 0 300.358 2.265 10 0 DEAERO O=C(c1cc2ccccc2[nH]1)N(C(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000223182683 646487339 /nfs/dbraw/zinc/48/73/39/646487339.db2.gz UXVVVWVSRKBDIL-CYBMUJFWSA-N 1 0 311.385 2.299 10 0 DEAERO CC[NH+]1CCN(c2ccc(CNCc3ccc(C)o3)cn2)CC1 ZINC000061020249 646658519 /nfs/dbraw/zinc/65/85/19/646658519.db2.gz PQMOMIJYPYGXNU-UHFFFAOYSA-N 1 0 314.433 2.415 10 0 DEAERO CC[C@@H]1CCc2c(sc(=O)n2CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000172504037 646740335 /nfs/dbraw/zinc/74/03/35/646740335.db2.gz TUAGCBAFIKUFBB-ZIAGYGMSSA-N 1 0 321.490 2.162 10 0 DEAERO CC(C)Oc1nn(CN2CC[N@@H+]3CCC[C@@H]3C2)c(=S)s1 ZINC000172503491 646740355 /nfs/dbraw/zinc/74/03/55/646740355.db2.gz KOWJEXLDVRLNGU-LLVKDONJSA-N 1 0 314.480 2.199 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)/C=C/c2ccccc2)CC[N@@H+]1C ZINC000173277088 646764705 /nfs/dbraw/zinc/76/47/05/646764705.db2.gz XJRFVWBOBRTAOG-RHRXWLLISA-N 1 0 308.447 2.402 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCSC(F)(F)F)CC[N@@H+]1C ZINC000174103901 646793015 /nfs/dbraw/zinc/79/30/15/646793015.db2.gz UUXKXRYJVONLTB-ZJUUUORDSA-N 1 0 313.389 2.364 10 0 DEAERO CCNC(=O)CCCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174339783 646804345 /nfs/dbraw/zinc/80/43/45/646804345.db2.gz GOUZHWDLMTXAJR-INIZCTEOSA-N 1 0 318.417 2.111 10 0 DEAERO c1cc(C[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)co1 ZINC000732232617 647553933 /nfs/dbraw/zinc/55/39/33/647553933.db2.gz MNGVIALNRRCUAP-GOSISDBHSA-N 1 0 300.402 2.313 10 0 DEAERO Cc1ccccc1-n1cnn(CN2CC[C@@H]([NH+](C)C)C2)c1=S ZINC000170842913 648353447 /nfs/dbraw/zinc/35/34/47/648353447.db2.gz UUBBTBITVJIWTM-CQSZACIVSA-N 1 0 317.462 2.305 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000238014311 648463319 /nfs/dbraw/zinc/46/33/19/648463319.db2.gz SAEGUARUUHBYCH-NHYWBVRUSA-N 1 0 318.808 2.383 10 0 DEAERO C[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]1C[NH3+] ZINC000070178478 648867998 /nfs/dbraw/zinc/86/79/98/648867998.db2.gz XJWUAELKYUKTIL-GXFFZTMASA-N 1 0 318.389 2.247 10 0 DEAERO CNC(=O)[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)C(C)C ZINC000183643257 649127098 /nfs/dbraw/zinc/12/70/98/649127098.db2.gz OKJLHKFKCJZGPU-AWEZNQCLSA-N 1 0 323.462 2.321 10 0 DEAERO C[C@](O)(C[N@@H+]1CCOCC2(CCOCC2)C1)c1ccccc1 ZINC000184113072 649236090 /nfs/dbraw/zinc/23/60/90/649236090.db2.gz HODNSPXBIHLVPC-KRWDZBQOSA-N 1 0 305.418 2.023 10 0 DEAERO C/C=C(/C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000081757176 649414383 /nfs/dbraw/zinc/41/43/83/649414383.db2.gz UHYPDPQRMOLMEU-BNNQUZSASA-N 1 0 315.417 2.417 10 0 DEAERO Cn1ccnc1[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccncc1F ZINC000858008141 652236058 /nfs/dbraw/zinc/23/60/58/652236058.db2.gz KMDFNZOHHBRISN-DZGCQCFKSA-N 1 0 304.369 2.212 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)C[C@H]2CSCCS2)CC1 ZINC000120769967 684101036 /nfs/dbraw/zinc/10/10/36/684101036.db2.gz WDDRCRAYRMLMSI-AWEZNQCLSA-N 1 0 316.536 2.463 10 0 DEAERO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1COCCOC1 ZINC000381895234 685402429 /nfs/dbraw/zinc/40/24/29/685402429.db2.gz UHBYUWMBBMBLIA-CYBMUJFWSA-N 1 0 316.442 2.075 10 0 DEAERO [NH3+]CC[C@@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C(F)F ZINC000383558612 685407583 /nfs/dbraw/zinc/40/75/83/685407583.db2.gz RXXCFZBNAGJTRP-LXSSAFMLSA-N 1 0 324.780 2.213 10 0 DEAERO CC[NH2+]CCCNS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000036299613 683880609 /nfs/dbraw/zinc/88/06/09/683880609.db2.gz OQWILIAUZWMBMM-DHZHZOJOSA-N 1 0 302.827 2.230 10 0 DEAERO Cc1cccc(CC(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000078803883 683967438 /nfs/dbraw/zinc/96/74/38/683967438.db2.gz PTWQIKFAWXSBRI-KRWDZBQOSA-N 1 0 305.418 2.438 10 0 DEAERO CCOC(C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)OCC ZINC000125356396 684145131 /nfs/dbraw/zinc/14/51/31/684145131.db2.gz QEOFLYSYRIJZRA-ZDUSSCGKSA-N 1 0 304.394 2.317 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C/C(Cl)=C/Cl)CC1 ZINC000126884988 684158489 /nfs/dbraw/zinc/15/84/89/684158489.db2.gz CRESWAALAYFYKI-QLKUMGTLSA-N 1 0 306.281 2.407 10 0 DEAERO CCOc1cc2c(cc1CNC(=O)C[C@H]1CC[NH2+]C1)O[C@@H](C)C2 ZINC000127860209 684166493 /nfs/dbraw/zinc/16/64/93/684166493.db2.gz HHYZZBGDQBWEMJ-QWHCGFSZSA-N 1 0 318.417 2.025 10 0 DEAERO Cc1c(C(=O)OCCC[N@H+](C)Cc2ccccc2)cnn1C ZINC000129552839 684180461 /nfs/dbraw/zinc/18/04/61/684180461.db2.gz CCCLGIGRCQDVSL-UHFFFAOYSA-N 1 0 301.390 2.407 10 0 DEAERO Cc1nc(CC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cs1 ZINC000132175802 684205894 /nfs/dbraw/zinc/20/58/94/684205894.db2.gz XYZSIMQOFYUSHB-HNNXBMFYSA-N 1 0 317.458 2.283 10 0 DEAERO CCN(CC)C(=[NH2+])NCCN1CCc2c(Cl)cccc2C1 ZINC000189387197 684379959 /nfs/dbraw/zinc/37/99/59/684379959.db2.gz CJNSFFCEVULQHE-UHFFFAOYSA-N 1 0 308.857 2.355 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccoc2Cl)C1 ZINC000192584658 684453106 /nfs/dbraw/zinc/45/31/06/684453106.db2.gz BEHBRQLFRKDWMB-NSHDSACASA-N 1 0 301.770 2.447 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000193246057 685035845 /nfs/dbraw/zinc/03/58/45/685035845.db2.gz WHVUGVANJAHREC-SJKOYZFVSA-N 1 0 308.397 2.225 10 0 DEAERO C[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)N1CCc2ccccc21 ZINC000194956162 685082324 /nfs/dbraw/zinc/08/23/24/685082324.db2.gz OCDUMDKNXABZPP-HZPDHXFCSA-N 1 0 315.461 2.428 10 0 DEAERO C[C@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)N1CCc2ccccc21 ZINC000195102050 685088356 /nfs/dbraw/zinc/08/83/56/685088356.db2.gz ODQOYBNDTCBSRK-NVXWUHKLSA-N 1 0 313.445 2.134 10 0 DEAERO O=C1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Br)N1 ZINC000223169609 685107381 /nfs/dbraw/zinc/10/73/81/685107381.db2.gz GVZRNMBFKUADQJ-TVQRCGJNSA-N 1 0 309.207 2.305 10 0 DEAERO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@H](O)c1cc(C)cc(C)c1 ZINC000245435940 685111112 /nfs/dbraw/zinc/11/11/12/685111112.db2.gz QTHCJSPSGIDAHT-CVEARBPZSA-N 1 0 323.458 2.317 10 0 DEAERO CCCn1c(C)nn(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1=S ZINC000245644765 685116129 /nfs/dbraw/zinc/11/61/29/685116129.db2.gz YWMYOCDAEUJIJX-OCCSQVGLSA-N 1 0 309.483 2.259 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)NC1CCCCCCC1 ZINC000248367191 685156972 /nfs/dbraw/zinc/15/69/72/685156972.db2.gz TUHTYBLPHVKCSC-KRWDZBQOSA-N 1 0 307.482 2.386 10 0 DEAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000249120097 685175118 /nfs/dbraw/zinc/17/51/18/685175118.db2.gz ZCXDWDXFSVHVGG-CSHUHZATSA-N 1 0 316.445 2.488 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000176400471 782369279 /nfs/dbraw/zinc/36/92/79/782369279.db2.gz XUYZIRREMBAGNB-BRWVUGGUSA-N 1 0 317.433 2.300 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000722597107 776543779 /nfs/dbraw/zinc/54/37/79/776543779.db2.gz OEQAEDBWYKJMJB-RWMBFGLXSA-N 1 0 314.476 2.031 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1C ZINC000722603540 776580631 /nfs/dbraw/zinc/58/06/31/776580631.db2.gz WTJBQVWRBVAHTB-UFBFGSQYSA-N 1 0 302.465 2.092 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723902078 777203431 /nfs/dbraw/zinc/20/34/31/777203431.db2.gz LXBKTELWFOBRIL-VXGBXAGGSA-N 1 0 316.854 2.254 10 0 DEAERO CO[C@](C)(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1CC1 ZINC000724036124 777225667 /nfs/dbraw/zinc/22/56/67/777225667.db2.gz KBCRLPZANAHFMT-ZJUUUORDSA-N 1 0 305.287 2.340 10 0 DEAERO CC(C)N(C)C[C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724040364 777226783 /nfs/dbraw/zinc/22/67/83/777226783.db2.gz HDMKGNIXIHVQQY-NXEZZACHSA-N 1 0 306.319 2.253 10 0 DEAERO [NH3+]CCCN(C[C@@H]1CC[C@H](C(F)(F)F)O1)CC(F)(F)F ZINC000721482146 777231386 /nfs/dbraw/zinc/23/13/86/777231386.db2.gz YMBAIMSUBJELSF-DTWKUNHWSA-N 1 0 308.266 2.309 10 0 DEAERO C[N@H+](C[C@@H]1CCC[C@@H]1O)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724063129 777233350 /nfs/dbraw/zinc/23/33/50/777233350.db2.gz XAOQZFRHLKUVFG-GUBZILKMSA-N 1 0 305.287 2.028 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C[C@H](C)O1 ZINC000724095334 777239746 /nfs/dbraw/zinc/23/97/46/777239746.db2.gz BPNUJVAFEPKOHP-UTINFBMNSA-N 1 0 305.287 2.481 10 0 DEAERO C[C@](O)(C[NH2+][C@H](CO)C1CCCC1)C(F)(F)C(F)(F)F ZINC000724114989 777244589 /nfs/dbraw/zinc/24/45/89/777244589.db2.gz PXSVYFKFGWEVND-ZJUUUORDSA-N 1 0 305.287 2.076 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000725114305 777587291 /nfs/dbraw/zinc/58/72/91/777587291.db2.gz OTKDCVKIVRHWAX-UHFFFAOYSA-N 1 0 302.465 2.114 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)c2c(C)csc2C)CC[C@H]1[NH3+] ZINC000725111716 777587653 /nfs/dbraw/zinc/58/76/53/777587653.db2.gz DOHCTGRNXUCBLJ-VXGBXAGGSA-N 1 0 302.465 2.113 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000722251162 778551219 /nfs/dbraw/zinc/55/12/19/778551219.db2.gz CLPYVIPGVGQUAV-KBXIAJHMSA-N 1 0 311.470 2.314 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[NH2+]C2(C)C)c1C ZINC000722563715 778783371 /nfs/dbraw/zinc/78/33/71/778783371.db2.gz AXANDGTYBXVSIW-NSHDSACASA-N 1 0 302.465 2.092 10 0 DEAERO CO[C@@]1(C[NH2+]C(CC(C)C)CC(C)C)CCS(=O)(=O)C1 ZINC000721256986 780987324 /nfs/dbraw/zinc/98/73/24/780987324.db2.gz APEYINQCEPLETQ-OAHLLOKOSA-N 1 0 305.484 2.241 10 0 DEAERO Cn1cc(CN2CCC(C)([NH+](C)C)CC2)c(Br)n1 ZINC000713815727 784275476 /nfs/dbraw/zinc/27/54/76/784275476.db2.gz DBBPXSISUJONLU-UHFFFAOYSA-N 1 0 315.259 2.099 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NC2(C)CC[NH2+]CC2)c1C ZINC000722568856 787333723 /nfs/dbraw/zinc/33/37/23/787333723.db2.gz AMOUGCCOJAMUMC-UHFFFAOYSA-N 1 0 302.465 2.094 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1C ZINC000722568884 787334061 /nfs/dbraw/zinc/33/40/61/787334061.db2.gz AWQZKBQNUMGBBF-SKDRFNHKSA-N 1 0 302.465 2.092 10 0 DEAERO Brc1c[nH]nc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723643315 787344914 /nfs/dbraw/zinc/34/49/14/787344914.db2.gz GHMCNHNBDGRNFJ-GMTAPVOTSA-N 1 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C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccns1 ZINC000715968960 792540614 /nfs/dbraw/zinc/54/06/14/792540614.db2.gz WPLCDBGSIZAXRV-VHSXEESVSA-N 1 0 311.432 2.202 10 0 DEAERO C[C@@H](NC(=O)c1cc(Cl)c(Cl)n1C)C1CC[NH2+]CC1 ZINC000716648815 792984249 /nfs/dbraw/zinc/98/42/49/792984249.db2.gz XSHRPCOTADUGAL-MRVPVSSYSA-N 1 0 304.221 2.450 10 0 DEAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000716831003 793008922 /nfs/dbraw/zinc/00/89/22/793008922.db2.gz QBLWRRREUCVFOZ-WDEREUQCSA-N 1 0 319.854 2.383 10 0 DEAERO CC(C)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401768307 801849753 /nfs/dbraw/zinc/84/97/53/801849753.db2.gz MXANIDMXOZEVQU-MGPQQGTHSA-N 1 0 300.443 2.238 10 0 DEAERO CN1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401906493 801857417 /nfs/dbraw/zinc/85/74/17/801857417.db2.gz HQNFFRSMTACZPI-DLBZAZTESA-N 1 0 317.433 2.081 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C12CCC2 ZINC000404592146 802025173 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CN1CC[C@@](O)(C[NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC000722141939 1085186459 /nfs/dbraw/zinc/18/64/59/1085186459.db2.gz ADQUABFPPRRJQS-CQSZACIVSA-N 1 0 303.233 2.192 10 0 DEAERO O=C(N[C@H]1CCCN2CCSC[C@@H]12)c1cc(Cl)ccn1 ZINC000720513565 1085282431 /nfs/dbraw/zinc/28/24/31/1085282431.db2.gz WPNDUXDSOOCILL-AAEUAGOBSA-N 1 0 311.838 2.045 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1cccc(Cl)c1F ZINC000721034948 1085599571 /nfs/dbraw/zinc/59/95/71/1085599571.db2.gz AIZHJTGUJVGDSC-NXEZZACHSA-N 1 0 320.817 2.003 10 0 DEAERO Cc1nc(CN2C[C@@H]([NH3+])C(C)(C)C2)sc1Br ZINC000720760896 1086129200 /nfs/dbraw/zinc/12/92/00/1086129200.db2.gz WBOBSDPLCNMYHJ-MRVPVSSYSA-N 1 0 304.257 2.383 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Br)c[nH]1 ZINC000720816612 1086167982 /nfs/dbraw/zinc/16/79/82/1086167982.db2.gz OPWKYQCOMZFUGS-NWDGAFQWSA-N 1 0 312.211 2.086 10 0 DEAERO C[C@H]1CCC[C@H](C[NH2+]CCS(=O)(=O)C2CCCCC2)O1 ZINC000700003532 1086300727 /nfs/dbraw/zinc/30/07/27/1086300727.db2.gz DAEPWWOVOVPISG-UONOGXRCSA-N 1 0 303.468 2.281 10 0 DEAERO Brc1c[nH]c(C[NH2+]C[C@@H]2Cc3ccccc3CO2)n1 ZINC000700326454 1086314836 /nfs/dbraw/zinc/31/48/36/1086314836.db2.gz LPUDTKYYVALVST-LBPRGKRZSA-N 1 0 322.206 2.403 10 0 DEAERO O=C(/C=C/c1ccc(Br)o1)NC[C@H]1CCCC[NH2+]1 ZINC000700638871 1086323543 /nfs/dbraw/zinc/32/35/43/1086323543.db2.gz SIRMDFPNAODCTG-BREXMAIKSA-N 1 0 313.195 2.314 10 0 DEAERO O=C(/C=C\c1ccc(Br)o1)NC[C@@H]1CCCC[NH2+]1 ZINC000700638873 1086323632 /nfs/dbraw/zinc/32/36/32/1086323632.db2.gz SIRMDFPNAODCTG-BXKUYDPTSA-N 1 0 313.195 2.314 10 0 DEAERO C[C@@H]1CC[C@H](NS(=O)(=O)/C=C\c2ccc(Cl)cc2)C[NH2+]1 ZINC000700706736 1086330724 /nfs/dbraw/zinc/33/07/24/1086330724.db2.gz YGOFTWAKSCTFQT-AAEXLFJZSA-N 1 0 314.838 2.371 10 0 DEAERO O=C(c1cccc(Br)c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702241356 1086416870 /nfs/dbraw/zinc/41/68/70/1086416870.db2.gz ZYURFFPTKCJVTQ-ZDUSSCGKSA-N 1 0 309.207 2.369 10 0 DEAERO CCCS(=O)(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702266557 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CC(C)[C@@H](CO)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711403891 1087088127 /nfs/dbraw/zinc/08/81/27/1087088127.db2.gz GRARWYLGJPWGLC-MCIONIFRSA-N 1 0 300.443 2.144 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c(Cl)c1 ZINC000711639479 1087176000 /nfs/dbraw/zinc/17/60/00/1087176000.db2.gz BZNNHBDZDOHJBE-ZIAGYGMSSA-N 1 0 314.838 2.211 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000711630108 1087178150 /nfs/dbraw/zinc/17/81/50/1087178150.db2.gz ABUPNXWEOSPCME-GWCFXTLKSA-N 1 0 313.195 2.365 10 0 DEAERO Cc1nc(C[NH2+]CCn2ccnc2)sc1Br ZINC000719293026 1088931392 /nfs/dbraw/zinc/93/13/92/1088931392.db2.gz OYVRBSOSPOTONF-UHFFFAOYSA-N 1 0 301.213 2.200 10 0 DEAERO C[C@H]1[C@H](NC(=O)c2cccc(Br)c2F)CC[N@@H+]1C ZINC000719388416 1089071521 /nfs/dbraw/zinc/07/15/21/1089071521.db2.gz PUNULPKRVUODET-GZMMTYOYSA-N 1 0 315.186 2.411 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000719572264 1089307260 /nfs/dbraw/zinc/30/72/60/1089307260.db2.gz UJRAAPJXEAYFQD-BYNSBNAKSA-N 1 0 311.470 2.457 10 0 DEAERO C[N@@H+]1CCN(CCc2cc(Cl)cc(Cl)c2)C[C@@H]1CO ZINC000722100214 1089586664 /nfs/dbraw/zinc/58/66/64/1089586664.db2.gz OARRELUWRLQBFZ-CQSZACIVSA-N 1 0 303.233 2.144 10 0 DEAERO c1c(Cc2nc([C@@H]3C[NH+]4CCC3CC4)no2)nc2n1CCCC2 ZINC000351428450 1138277184 /nfs/dbraw/zinc/27/71/84/1138277184.db2.gz SDVAGSTWJSNQHV-CQSZACIVSA-N 1 0 313.405 2.002 10 0 DEAERO COC(=O)c1sc2ccccc2c1NC(=O)CC1C[NH2+]C1 ZINC000081765766 192321972 /nfs/dbraw/zinc/32/19/72/192321972.db2.gz FRYLHSNDDZPMRZ-UHFFFAOYSA-N 1 0 304.371 2.236 10 0 DEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000423686214 230535603 /nfs/dbraw/zinc/53/56/03/230535603.db2.gz VRHPGGHFCOWHGD-LDYMZIIASA-N 1 0 303.189 2.320 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCc2ccccc21 ZINC000139617056 282101659 /nfs/dbraw/zinc/10/16/59/282101659.db2.gz CQPYFRLFGAJWMS-HOTGVXAUSA-N 1 0 301.434 2.500 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCc1ccc(Cl)s1 ZINC000139695077 282101755 /nfs/dbraw/zinc/10/17/55/282101755.db2.gz PUNLWPOFHTVKMY-JTQLQIEISA-N 1 0 301.843 2.337 10 0 DEAERO COc1cc(C[NH2+][C@H](CO)c2ccccc2)cc2c1OCCO2 ZINC000076943387 185059907 /nfs/dbraw/zinc/05/99/07/185059907.db2.gz BSLQQBSZLJGGOX-OAHLLOKOSA-N 1 0 315.369 2.290 10 0 DEAERO C[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1Sc1nnnn1C ZINC000081843559 192330473 /nfs/dbraw/zinc/33/04/73/192330473.db2.gz DPADGHGQEFLLGN-RDBSUJKOSA-N 1 0 303.435 2.227 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@@H]1Sc1nnnn1C1CCCC1 ZINC000081866683 192332628 /nfs/dbraw/zinc/33/26/28/192332628.db2.gz UVUWQRQQSOHFLK-STQMWFEESA-N 1 0 311.455 2.037 10 0 DEAERO Cn1cc(SC[C@@H]([NH3+])c2ccc3c(c2)OCCCO3)cn1 ZINC000081893136 192333911 /nfs/dbraw/zinc/33/39/11/192333911.db2.gz IOBLUQAKZPTAIA-CYBMUJFWSA-N 1 0 305.403 2.374 10 0 DEAERO COCC[NH2+]C[C@H](C)NCc1sccc1Br ZINC000162530482 197573409 /nfs/dbraw/zinc/57/34/09/197573409.db2.gz YWWRVKTXPJUASV-VIFPVBQESA-N 1 0 307.257 2.225 10 0 DEAERO COc1cccc(S(=O)(=O)C[C@H]([NH3+])c2ccc(C)cc2)c1 ZINC000081923358 192339427 /nfs/dbraw/zinc/33/94/27/192339427.db2.gz YLEGIXSYSPCQPP-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO COc1cccc([C@@H]([NH3+])CS(=O)(=O)c2ccccc2F)c1 ZINC000081922987 192339733 /nfs/dbraw/zinc/33/97/33/192339733.db2.gz FPWVAKXFWCVWMI-AWEZNQCLSA-N 1 0 309.362 2.308 10 0 DEAERO CCC(CC)(CO)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151728270 282124834 /nfs/dbraw/zinc/12/48/34/282124834.db2.gz RJPXGTIUAMASOT-UHFFFAOYSA-N 1 0 313.486 2.205 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)CCSc2ccccn2)cc1 ZINC000163345168 197624963 /nfs/dbraw/zinc/62/49/63/197624963.db2.gz AMPDLOOJACJMDF-UHFFFAOYSA-N 1 0 308.428 2.106 10 0 DEAERO C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000163446101 197631058 /nfs/dbraw/zinc/63/10/58/197631058.db2.gz KTFYKNOHNKNLOW-QLVMHMETSA-N 1 0 308.491 2.398 10 0 DEAERO CCC[NH2+][C@H](C)CS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936237 192343029 /nfs/dbraw/zinc/34/30/29/192343029.db2.gz XGMSVGDCKRXRHJ-GFCCVEGCSA-N 1 0 313.419 2.010 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2CCC[C@H]1S(=O)(=O)CCOC ZINC000081944019 192344567 /nfs/dbraw/zinc/34/45/67/192344567.db2.gz FGZSHDCRALHLBK-CVEARBPZSA-N 1 0 311.447 2.103 10 0 DEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)N(CCO)CC(F)(F)F ZINC000079291419 185163470 /nfs/dbraw/zinc/16/34/70/185163470.db2.gz XHWDSNOOJNIRDV-NSHDSACASA-N 1 0 312.376 2.161 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)CC1 ZINC000079308590 185164332 /nfs/dbraw/zinc/16/43/32/185164332.db2.gz BBZPQLQUGXCOTE-CQSZACIVSA-N 1 0 310.463 2.487 10 0 DEAERO CC(C)c1nc(CCNC(=O)N[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000612970730 361965503 /nfs/dbraw/zinc/96/55/03/361965503.db2.gz LOIKRPFOWPTMGU-ZDUSSCGKSA-N 1 0 322.478 2.250 10 0 DEAERO [NH3+][C@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1cc(F)ccc1F ZINC000081945728 192345611 /nfs/dbraw/zinc/34/56/11/192345611.db2.gz GPTFMORDCJHJOO-GJZGRUSLSA-N 1 0 309.337 2.363 10 0 DEAERO CC[C@]1(CO)CCC[N@H+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000190212504 529426009 /nfs/dbraw/zinc/42/60/09/529426009.db2.gz WGMWXAAOHPFZTC-KRWDZBQOSA-N 1 0 302.422 2.331 10 0 DEAERO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccnn2CC)cn1 ZINC000328633525 231268912 /nfs/dbraw/zinc/26/89/12/231268912.db2.gz MDBMAZLYSSMRAY-JKSUJKDBSA-N 1 0 303.410 2.129 10 0 DEAERO C[C@H]1CN(c2ccc(I)cc2)CC[NH2+]1 ZINC000083061262 185212390 /nfs/dbraw/zinc/21/23/90/185212390.db2.gz HYFIOWHWRGWPRV-VIFPVBQESA-N 1 0 302.159 2.089 10 0 DEAERO C[C@@H]1CN(c2ccccc2I)CC[NH2+]1 ZINC000083061368 185212439 /nfs/dbraw/zinc/21/24/39/185212439.db2.gz QSEZHZDIPUPSPM-SECBINFHSA-N 1 0 302.159 2.089 10 0 DEAERO COc1cc(C(=O)[C@H]2CCC[NH2+]2)c(OC)cc1Br ZINC000083255765 185221527 /nfs/dbraw/zinc/22/15/27/185221527.db2.gz WFZRFCSIRNCCIG-SNVBAGLBSA-N 1 0 314.179 2.401 10 0 DEAERO COc1ccc(Br)cc1C[C@H]([NH3+])c1cnn(C)c1 ZINC000087422941 185224367 /nfs/dbraw/zinc/22/43/67/185224367.db2.gz WDANUBQBJCZCGW-LBPRGKRZSA-N 1 0 310.195 2.434 10 0 DEAERO Brc1cc2c(cc1C[NH2+]CCc1c[nH]cn1)OCO2 ZINC000087538145 185228000 /nfs/dbraw/zinc/22/80/00/185228000.db2.gz JDBBPMYYNDBYOV-UHFFFAOYSA-N 1 0 324.178 2.233 10 0 DEAERO Cc1nc(CN(C)C(=O)[C@H]2C[NH2+]Cc3ccccc32)cs1 ZINC000087618905 185229165 /nfs/dbraw/zinc/22/91/65/185229165.db2.gz IRSWRXKVHBTSNZ-HNNXBMFYSA-N 1 0 301.415 2.297 10 0 DEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000087683470 185230508 /nfs/dbraw/zinc/23/05/08/185230508.db2.gz LQQKIBWXKWROIX-VXGBXAGGSA-N 1 0 312.435 2.182 10 0 DEAERO COC(=O)CCN(CC(C)C)C(=O)[C@H](C)CCC[C@@H](C)[NH3+] ZINC000087696520 185230818 /nfs/dbraw/zinc/23/08/18/185230818.db2.gz IANCCLMSKKBLTL-ZIAGYGMSSA-N 1 0 300.443 2.188 10 0 DEAERO [NH3+]Cc1cccc(CS(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000087768843 185231574 /nfs/dbraw/zinc/23/15/74/185231574.db2.gz YYCIWYCMFTYRPB-HOTGVXAUSA-N 1 0 308.447 2.240 10 0 DEAERO CCS(=O)(=O)CCC[C@@H](C[NH2+]CCOC)c1ccccc1 ZINC000088099559 185239519 /nfs/dbraw/zinc/23/95/19/185239519.db2.gz SBFVCQBCXHZAEG-INIZCTEOSA-N 1 0 313.463 2.221 10 0 DEAERO COc1ccc([C@@H](C[NH3+])NCC(F)(F)F)cc1OC(F)F ZINC000087929440 185237699 /nfs/dbraw/zinc/23/76/99/185237699.db2.gz HKKQLYMOJCGUKZ-MRVPVSSYSA-N 1 0 314.254 2.448 10 0 DEAERO [NH3+]C[C@@]1(NCC(F)(F)F)CCCN(Cc2ccccc2)C1 ZINC000087929690 185237752 /nfs/dbraw/zinc/23/77/52/185237752.db2.gz JUJWZHKSPWCCCJ-AWEZNQCLSA-N 1 0 301.356 2.132 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)[C@@H]1CCOc2ccccc21 ZINC000088019819 185237983 /nfs/dbraw/zinc/23/79/83/185237983.db2.gz LTUHVFWMQDURSQ-UKRRQHHQSA-N 1 0 311.447 2.356 10 0 DEAERO COc1cccc(F)c1C(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000088081023 185238994 /nfs/dbraw/zinc/23/89/94/185238994.db2.gz RYGCYFDPXBIDTG-UHFFFAOYSA-N 1 0 307.350 2.189 10 0 DEAERO Cn1ccnc1CCn1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837379 185233055 /nfs/dbraw/zinc/23/30/55/185233055.db2.gz WXLCINUGWXCFEV-UHFFFAOYSA-N 1 0 320.194 2.357 10 0 DEAERO CC[NH2+][C@H](Cc1cc(Br)cs1)[C@H]1COCCO1 ZINC000087858217 185233897 /nfs/dbraw/zinc/23/38/97/185233897.db2.gz QWCWJJHTLWDCAG-VXGBXAGGSA-N 1 0 320.252 2.447 10 0 DEAERO C[NH2+][C@H](Cc1cc(Br)ccc1OC)c1nnc[nH]1 ZINC000087879190 185234260 /nfs/dbraw/zinc/23/42/60/185234260.db2.gz UMEGRHPSUIDUDT-SNVBAGLBSA-N 1 0 311.183 2.079 10 0 DEAERO CCOc1nc(Cl)nc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000088165101 185240850 /nfs/dbraw/zinc/24/08/50/185240850.db2.gz HCVNJZZOMFHHRQ-FGWVZKOKSA-N 1 0 311.817 2.351 10 0 DEAERO CCn1ccnc(N2CCC([NH2+]C[C@H]3CC=CCC3)CC2)c1=O ZINC000328655185 529547650 /nfs/dbraw/zinc/54/76/50/529547650.db2.gz YCQWWHPNELLFAY-HNNXBMFYSA-N 1 0 316.449 2.178 10 0 DEAERO CC1(C)C[NH2+]CCN1C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000088138628 185240506 /nfs/dbraw/zinc/24/05/06/185240506.db2.gz FSZUPURRHUTVON-UHFFFAOYSA-N 1 0 308.250 2.206 10 0 DEAERO CCc1ccccc1CC[NH+]1CCN(Cc2nc(C)no2)CC1 ZINC000444645552 529576740 /nfs/dbraw/zinc/57/67/40/529576740.db2.gz ZUBFILGRCNAKGA-UHFFFAOYSA-N 1 0 314.433 2.301 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@@]2(C)CC[NH2+]C2)c1 ZINC000088321271 185245604 /nfs/dbraw/zinc/24/56/04/185245604.db2.gz JGSZCTOYTBPYFH-ZDUSSCGKSA-N 1 0 313.195 2.396 10 0 DEAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)CN1CCc2sccc2C1 ZINC000088397563 185248476 /nfs/dbraw/zinc/24/84/76/185248476.db2.gz PXKPPXINHZTFLR-HZPDHXFCSA-N 1 0 302.443 2.037 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1N(C)CCC(F)(F)F)OCCO2 ZINC000088418279 185249098 /nfs/dbraw/zinc/24/90/98/185249098.db2.gz VZEZRTSWOLJCIS-NEPJUHHUSA-N 1 0 310.360 2.144 10 0 DEAERO CCN[C@@](C)(CC[NH+]1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000088435589 185250503 /nfs/dbraw/zinc/25/05/03/185250503.db2.gz SQQBETFIJDVGJP-ZDUSSCGKSA-N 1 0 310.360 2.192 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2(C)C)o1 ZINC000088550769 185257417 /nfs/dbraw/zinc/25/74/17/185257417.db2.gz CKTBAIQVWATWPN-UHFFFAOYSA-N 1 0 300.424 2.341 10 0 DEAERO CCCC1CCC(NS(=O)(=O)c2ccc(C[NH3+])o2)CC1 ZINC000088543135 185256220 /nfs/dbraw/zinc/25/62/20/185256220.db2.gz WDHFYOYKUCRFQH-UHFFFAOYSA-N 1 0 300.424 2.376 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)o1 ZINC000088543557 185256644 /nfs/dbraw/zinc/25/66/44/185256644.db2.gz HBIXLSOWYUEGBL-LLVKDONJSA-N 1 0 306.387 2.139 10 0 DEAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)CCCOC ZINC000081985618 192349171 /nfs/dbraw/zinc/34/91/71/192349171.db2.gz CXMJUGZNMRHXBY-KGLIPLIRSA-N 1 0 305.484 2.385 10 0 DEAERO C[NH2+][C@@H](C)[C@@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000081982667 192348847 /nfs/dbraw/zinc/34/88/47/192348847.db2.gz DJCBZUIQSFGMRZ-DTWKUNHWSA-N 1 0 306.225 2.219 10 0 DEAERO Cc1ccc2c(N)c(C(=O)N[C@H](C)CC[NH+](C)C)sc2n1 ZINC000088641986 185261069 /nfs/dbraw/zinc/26/10/69/185261069.db2.gz FQVRPAHJPAKBGI-SNVBAGLBSA-N 1 0 306.435 2.257 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1sc2ncccc2c1N ZINC000088642406 185261292 /nfs/dbraw/zinc/26/12/92/185261292.db2.gz VVWRHJLYIPTKSQ-SNVBAGLBSA-N 1 0 304.419 2.093 10 0 DEAERO Cc1ccccc1S(=O)(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000088715626 185263069 /nfs/dbraw/zinc/26/30/69/185263069.db2.gz XUMJNJKQIUKLDT-UHFFFAOYSA-N 1 0 302.399 2.442 10 0 DEAERO O=S(=O)(CC[C@H]1CCCC[NH2+]1)Nc1c(F)cc(F)cc1F ZINC000088722619 185263317 /nfs/dbraw/zinc/26/33/17/185263317.db2.gz SVOQRXIZSAMCGT-SNVBAGLBSA-N 1 0 322.352 2.378 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)C(C)C)c1ccc(OC)c(OC)c1 ZINC000081981355 192349831 /nfs/dbraw/zinc/34/98/31/192349831.db2.gz SDAVJGCAMQDMRH-CYBMUJFWSA-N 1 0 315.435 2.178 10 0 DEAERO COc1ccc([C@@H]([NH3+])CS(=O)(=O)c2ccccc2C)cc1 ZINC000081978061 192349877 /nfs/dbraw/zinc/34/98/77/192349877.db2.gz ORQHTGPFIOKJSG-HNNXBMFYSA-N 1 0 305.399 2.477 10 0 DEAERO C[C@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1cccc(Cl)c1 ZINC000090115889 185282905 /nfs/dbraw/zinc/28/29/05/185282905.db2.gz ZSPYPZWSAAODAA-LLVKDONJSA-N 1 0 311.813 2.240 10 0 DEAERO COCCC[S@](=O)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000081999307 192352994 /nfs/dbraw/zinc/35/29/94/192352994.db2.gz LJXJNCSWBQJGLT-FKIZINRSSA-N 1 0 309.353 2.490 10 0 DEAERO C[NH2+][C@@H](C[S@@](=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000082000990 192353432 /nfs/dbraw/zinc/35/34/32/192353432.db2.gz UDXAHIFXYZRDNW-QKKBWIMNSA-N 1 0 303.383 2.484 10 0 DEAERO COc1ccccc1[S@@](=O)[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000081999987 192353482 /nfs/dbraw/zinc/35/34/82/192353482.db2.gz RXOKOHNSMRXOOK-XFQAVAEZSA-N 1 0 303.383 2.264 10 0 DEAERO OC[C@H](O)C[NH2+][C@@H](c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000090282403 185289215 /nfs/dbraw/zinc/28/92/15/185289215.db2.gz KGTOJQOFQJKELX-HZPDHXFCSA-N 1 0 307.777 2.078 10 0 DEAERO CC[C@H]([NH2+]C[C@@](C)(O)CO)c1cccc(Br)c1 ZINC000090284464 185289288 /nfs/dbraw/zinc/28/92/88/185289288.db2.gz QONJQHUWRPGOTB-QWHCGFSZSA-N 1 0 302.212 2.233 10 0 DEAERO CCCN(C(=O)c1ccc(Br)cc1F)C1C[NH2+]C1 ZINC000090292923 185289501 /nfs/dbraw/zinc/28/95/01/185289501.db2.gz COEWNNDRDMBJMX-UHFFFAOYSA-N 1 0 315.186 2.412 10 0 DEAERO CCc1nn(CC)c(Cn2cc(C[NH2+]C(C)C)nn2)c1Cl ZINC000090297073 185289794 /nfs/dbraw/zinc/28/97/94/185289794.db2.gz WDGMBQCZUMHGSB-UHFFFAOYSA-N 1 0 310.833 2.257 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1C ZINC000090293210 185290061 /nfs/dbraw/zinc/29/00/61/185290061.db2.gz NUBRHMAJUCUVHV-UHFFFAOYSA-N 1 0 302.827 2.021 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1cccc(Cl)c1 ZINC000090337922 185291949 /nfs/dbraw/zinc/29/19/49/185291949.db2.gz NKEFSPUUYMOYHZ-BXUZGUMPSA-N 1 0 307.825 2.208 10 0 DEAERO CC(C)([NH3+])CSCC(=O)NCCc1cccc(Cl)c1 ZINC000090358491 185292369 /nfs/dbraw/zinc/29/23/69/185292369.db2.gz ODIDMAWKSOXHOM-UHFFFAOYSA-N 1 0 300.855 2.469 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000090364354 185292866 /nfs/dbraw/zinc/29/28/66/185292866.db2.gz JGNJKGUCKPJVHU-MWLCHTKSSA-N 1 0 314.172 2.408 10 0 DEAERO CCn1c2ccc(Br)cc2nc1[C@H]1COC[C@@H]1[NH3+] ZINC000090363756 185292889 /nfs/dbraw/zinc/29/28/89/185292889.db2.gz XUUNLOAKNCVUBK-UWVGGRQHSA-N 1 0 310.195 2.260 10 0 DEAERO CN(C[C@@H]1CCOC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179260710 282221538 /nfs/dbraw/zinc/22/15/38/282221538.db2.gz KTZFTRYBLORYOD-UAGQMJEPSA-N 1 0 317.433 2.110 10 0 DEAERO CC[NH2+][C@H](C[S@@](=O)CCCOC)c1cc(C)ccc1OC ZINC000081998319 192352747 /nfs/dbraw/zinc/35/27/47/192352747.db2.gz XVQWVPBZOYTMTL-QVKFZJNVSA-N 1 0 313.463 2.439 10 0 DEAERO CO[C@H](C[NH2+]C1CCN(C(N)=O)CC1)c1cccc(Cl)c1 ZINC000090173146 185284951 /nfs/dbraw/zinc/28/49/51/185284951.db2.gz YQJNFZDKIAQYGZ-CQSZACIVSA-N 1 0 311.813 2.160 10 0 DEAERO [NH3+][C@H]1CCC2(C[C@@H]1[S@](=O)c1ccccc1Cl)OCCO2 ZINC000082001850 192353876 /nfs/dbraw/zinc/35/38/76/192353876.db2.gz OHEXJGUAANOEEL-LOOLNKMNSA-N 1 0 315.822 2.071 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccccc1Br ZINC000090487817 185298882 /nfs/dbraw/zinc/29/88/82/185298882.db2.gz LIEPEDKUDDQSAL-JOYOIKCWSA-N 1 0 313.195 2.012 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc2nc(C)sc2c1 ZINC000090489172 185298889 /nfs/dbraw/zinc/29/88/89/185298889.db2.gz VMQMWKZNPQKVNC-DGCLKSJQSA-N 1 0 305.403 2.168 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(OCC)c(Cl)c1 ZINC000090489784 185298935 /nfs/dbraw/zinc/29/89/35/185298935.db2.gz XFAAZPHIQMEAPZ-DGCLKSJQSA-N 1 0 312.797 2.302 10 0 DEAERO O=C(CSCC(F)(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000090522336 185300414 /nfs/dbraw/zinc/30/04/14/185300414.db2.gz KGPKORFBSZGDOA-UHFFFAOYSA-N 1 0 310.385 2.369 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000090378787 185293552 /nfs/dbraw/zinc/29/35/52/185293552.db2.gz NWRLQVUZIALKKI-CBAPKCEASA-N 1 0 308.687 2.271 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000090423182 185295487 /nfs/dbraw/zinc/29/54/87/185295487.db2.gz NWEXMCLCTRTLLO-GHMZBOCLSA-N 1 0 324.178 2.201 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000090435339 185296063 /nfs/dbraw/zinc/29/60/63/185296063.db2.gz RULBMYYOUKSIIR-BPLDGKMQSA-N 1 0 308.809 2.238 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000090432828 185296335 /nfs/dbraw/zinc/29/63/35/185296335.db2.gz BSUFMSHNAATDRM-GHMZBOCLSA-N 1 0 302.346 2.174 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000090432891 185296363 /nfs/dbraw/zinc/29/63/63/185296363.db2.gz XOEDFDGKEVFALQ-WPRPVWTQSA-N 1 0 320.336 2.471 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1c1nc2cc(Br)ccc2n1C ZINC000090472518 185298207 /nfs/dbraw/zinc/29/82/07/185298207.db2.gz NBUJQFJXGUPQAW-JQWIXIFHSA-N 1 0 324.222 2.428 10 0 DEAERO CSc1nc2ccc(NC(=O)[C@@]3(C)COC[C@@H]3[NH3+])cc2s1 ZINC000090586063 185305239 /nfs/dbraw/zinc/30/52/39/185305239.db2.gz ADNVPOAWGCJTJV-FZMZJTMJSA-N 1 0 323.443 2.321 10 0 DEAERO CCCCN(CC(F)(F)F)C(=O)[C@H]1COC[C@H]1[NH2+]CCC ZINC000090541952 185301912 /nfs/dbraw/zinc/30/19/12/185301912.db2.gz AFWKEEFRWHHMNX-NWDGAFQWSA-N 1 0 310.360 2.192 10 0 DEAERO CCn1c2ccc(Br)cc2nc1[C@@]1(C)COC[C@H]1[NH3+] ZINC000090571763 185304422 /nfs/dbraw/zinc/30/44/22/185304422.db2.gz SXEJPMZIKOSAKY-OCCSQVGLSA-N 1 0 324.222 2.434 10 0 DEAERO COC(=O)C1CCC(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000179472811 282226253 /nfs/dbraw/zinc/22/62/53/282226253.db2.gz GMMPMIKWHFYMFG-FHERZECASA-N 1 0 324.465 2.204 10 0 DEAERO Brc1cncnc1N1CCCC[C@H]1C[NH2+]C1CC1 ZINC000090782627 185311806 /nfs/dbraw/zinc/31/18/06/185311806.db2.gz QYDYUWOMSGYSAV-NSHDSACASA-N 1 0 311.227 2.350 10 0 DEAERO c1csc([C@@H]2CSCCN2CCOC2CCOCC2)n1 ZINC000625332510 365732781 /nfs/dbraw/zinc/73/27/81/365732781.db2.gz VZEHFORLQNFXGN-ZDUSSCGKSA-N 1 0 314.476 2.429 10 0 DEAERO [NH3+]CC1(C(=O)N[C@@H]2CCC[C@@H](OCC(F)(F)F)C2)CCC1 ZINC000166823863 197699355 /nfs/dbraw/zinc/69/93/55/197699355.db2.gz SKHAADNIWARCEF-GHMZBOCLSA-N 1 0 308.344 2.122 10 0 DEAERO CC[N@@H+]1CC[C@H](NCc2cn(C)nc2C(F)(F)F)[C@H](C)C1 ZINC000090666181 185308805 /nfs/dbraw/zinc/30/88/05/185308805.db2.gz JQYRYQTWYAMMRG-PWSUYJOCSA-N 1 0 304.360 2.259 10 0 DEAERO C[NH2+][C@H](Cc1c(C)nn(C)c1Cl)[C@H]1CSCCS1 ZINC000167300705 197705892 /nfs/dbraw/zinc/70/58/92/197705892.db2.gz AIRZJVSAKOSJQS-GHMZBOCLSA-N 1 0 305.900 2.361 10 0 DEAERO CCC[NH2+][C@@H](Cc1c(C)nn(C)c1Cl)[C@@H]1CSCCO1 ZINC000167302062 197706114 /nfs/dbraw/zinc/70/61/14/197706114.db2.gz REKBDIVTMBQFPC-STQMWFEESA-N 1 0 317.886 2.425 10 0 DEAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1NC(C)=O ZINC000092510720 185323450 /nfs/dbraw/zinc/32/34/50/185323450.db2.gz DYKWRXOYGKVTMC-QGZVFWFLSA-N 1 0 317.433 2.478 10 0 DEAERO C[NH+](C)CCCCn1c(N)nc2cc(Br)cnc21 ZINC000092575745 185326811 /nfs/dbraw/zinc/32/68/11/185326811.db2.gz JTMULMRBSZLJDX-UHFFFAOYSA-N 1 0 312.215 2.118 10 0 DEAERO Cc1cn2c(C[NH+]3CCC(n4cncn4)CC3)c(C)nc2s1 ZINC000092648128 185331336 /nfs/dbraw/zinc/33/13/36/185331336.db2.gz KUCRGAASZZIIBO-UHFFFAOYSA-N 1 0 316.434 2.441 10 0 DEAERO CCCn1cc(C[NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)cn1 ZINC000185669198 282264315 /nfs/dbraw/zinc/26/43/15/282264315.db2.gz NJMHMZRKDXSNEY-CVEARBPZSA-N 1 0 307.438 2.357 10 0 DEAERO CCCCS(=O)(=O)[C@H]1Cc2ccc(OC)cc2[C@H]1[NH2+]CC ZINC000092859233 185346814 /nfs/dbraw/zinc/34/68/14/185346814.db2.gz PVEDLYBVEIVFTI-JKSUJKDBSA-N 1 0 311.447 2.485 10 0 DEAERO COc1cc(Br)c([C@H]2OCC[C@@H]2[NH3+])cc1OC ZINC000092888662 185348037 /nfs/dbraw/zinc/34/80/37/185348037.db2.gz RFVGHPKMNPKSAF-JOYOIKCWSA-N 1 0 302.168 2.255 10 0 DEAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)C1CCCC1 ZINC000092911535 185348686 /nfs/dbraw/zinc/34/86/86/185348686.db2.gz BJWVZYLHZXNGNP-CVEARBPZSA-N 1 0 309.431 2.238 10 0 DEAERO [NH3+]CCOc1ccc(NC(=O)C[C@H]2CSCCS2)cc1 ZINC000181422701 199294585 /nfs/dbraw/zinc/29/45/85/199294585.db2.gz LZBBGJJJMJDDPR-ZDUSSCGKSA-N 1 0 312.460 2.201 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)c2cc(O)ccc2OC)CC1 ZINC000186799618 282284415 /nfs/dbraw/zinc/28/44/15/282284415.db2.gz PSTVQVWYZDCZCX-UHFFFAOYSA-N 1 0 306.406 2.395 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC[C@@H]1C ZINC000187677831 282288683 /nfs/dbraw/zinc/28/86/83/282288683.db2.gz XPIRCFWGWBKALK-ARFHVFGLSA-N 1 0 311.470 2.173 10 0 DEAERO Brc1ccccc1-n1cncc1[C@H]1C[NH2+]CCO1 ZINC000097011096 185397081 /nfs/dbraw/zinc/39/70/81/185397081.db2.gz NNKLGEBOKRRIAY-CYBMUJFWSA-N 1 0 308.179 2.296 10 0 DEAERO Cc1nn(C)c2sc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)cc12 ZINC000247399197 282291566 /nfs/dbraw/zinc/29/15/66/282291566.db2.gz PHNJGBGYHJETCL-PWSUYJOCSA-N 1 0 318.446 2.252 10 0 DEAERO CC1(C)[C@H]([NH2+]CCNC(=O)c2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000181615093 199328122 /nfs/dbraw/zinc/32/81/22/199328122.db2.gz NSWHWHHAANLMOC-XHSDSOJGSA-N 1 0 302.418 2.210 10 0 DEAERO COCc1cccc(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000188530657 282303780 /nfs/dbraw/zinc/30/37/80/282303780.db2.gz AXYSRRAUCYMWMS-YOEHRIQHSA-N 1 0 304.434 2.220 10 0 DEAERO CC[C@@H]1CN(C(=O)c2csc(Cl)c2)CCN1C[C@@H](C)O ZINC000189608315 282313816 /nfs/dbraw/zinc/31/38/16/282313816.db2.gz DQDIPGGNPHBVTA-ZYHUDNBSSA-N 1 0 316.854 2.319 10 0 DEAERO CC(C)[C@H]1C[C@@H](NC(=O)N2CCC([NH2+]CC3CC3)CC2)CCO1 ZINC000333580351 282962980 /nfs/dbraw/zinc/96/29/80/282962980.db2.gz NPFRXNBYLACCGN-DLBZAZTESA-N 1 0 323.481 2.364 10 0 DEAERO CC[C@@H]1CCC[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000086898307 539404172 /nfs/dbraw/zinc/40/41/72/539404172.db2.gz ODOIBQBPMBQIKL-ZIAGYGMSSA-N 1 0 302.484 2.359 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(c3ncnc4c3ncn4C3CC3)CC[C@@H]21 ZINC000292647885 530064931 /nfs/dbraw/zinc/06/49/31/530064931.db2.gz GJQCVXLVFMQUKM-JSGCOSHPSA-N 1 0 312.421 2.082 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000193773826 282356415 /nfs/dbraw/zinc/35/64/15/282356415.db2.gz LUXZKEUTCNPARE-PVAVHDDUSA-N 1 0 302.418 2.192 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC000195067441 282368029 /nfs/dbraw/zinc/36/80/29/282368029.db2.gz GCJFJPZVFUQASY-HOTGVXAUSA-N 1 0 306.454 2.298 10 0 DEAERO O=C(NCc1nccs1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107836460 185493787 /nfs/dbraw/zinc/49/37/87/185493787.db2.gz WNVCOSARIMZBPR-CYBMUJFWSA-N 1 0 308.451 2.303 10 0 DEAERO COc1cc(C[NH2+][C@H]2CCOC2)cc(Br)c1O ZINC000095015631 539433591 /nfs/dbraw/zinc/43/35/91/539433591.db2.gz BJOOMNHROVTKHS-VIFPVBQESA-N 1 0 302.168 2.042 10 0 DEAERO CCCOc1ccc(NC(=O)COC2(C)C[NH2+]C2)cc1Cl ZINC000098060844 539435890 /nfs/dbraw/zinc/43/58/90/539435890.db2.gz BIVSNAFDBXPABI-UHFFFAOYSA-N 1 0 312.797 2.446 10 0 DEAERO CCc1cnc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000245418329 282386097 /nfs/dbraw/zinc/38/60/97/282386097.db2.gz AGQBTZVDMPOESY-QWHCGFSZSA-N 1 0 324.494 2.372 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C1CC1)C1CCCC1 ZINC000245419047 282386200 /nfs/dbraw/zinc/38/62/00/282386200.db2.gz GTMNBACTCIVRGG-YJBOKZPZSA-N 1 0 319.493 2.479 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NC2CCC(C)CC2)[C@@H](C)C1 ZINC000245421431 282386488 /nfs/dbraw/zinc/38/64/88/282386488.db2.gz HYOJMIYMRBOKKW-XGHPGWEVSA-N 1 0 309.498 2.343 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)c2cccnc2)C[C@H]1CC ZINC000245421240 282386684 /nfs/dbraw/zinc/38/66/84/282386684.db2.gz CMPCIEJWRWTCAN-NVXWUHKLSA-N 1 0 319.449 2.144 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1ccc(C)cc1 ZINC000245427098 282387202 /nfs/dbraw/zinc/38/72/02/282387202.db2.gz LSBWIKOSUXXHMX-ROUUACIJSA-N 1 0 315.461 2.170 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCO[C@H]2c2ccccc2)C1 ZINC000245477810 282391083 /nfs/dbraw/zinc/39/10/83/282391083.db2.gz URPSINBXLBNYPQ-ULQDDVLXSA-N 1 0 317.433 2.300 10 0 DEAERO CCOc1ncccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245585401 282398698 /nfs/dbraw/zinc/39/86/98/282398698.db2.gz AGNWKLBWFRILHJ-DZGCQCFKSA-N 1 0 320.437 2.104 10 0 DEAERO OCC[C@@]1(C[NH2+][C@H]2CCCOc3ccc(F)cc32)CCOC1 ZINC000125523877 539473860 /nfs/dbraw/zinc/47/38/60/539473860.db2.gz TUJMKSAPJIGWNC-RDJZCZTQSA-N 1 0 309.381 2.418 10 0 DEAERO CN(Cc1ccc(OC(F)(F)F)cc1)C[C@H]1C[NH2+]CCO1 ZINC000125492574 539472592 /nfs/dbraw/zinc/47/25/92/539472592.db2.gz UCIAPVDKOUECEF-CYBMUJFWSA-N 1 0 304.312 2.005 10 0 DEAERO CCCn1cc(C[NH+]2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)cn1 ZINC000130240861 539494373 /nfs/dbraw/zinc/49/43/73/539494373.db2.gz VZIAHFAQIUGUBX-HOTGVXAUSA-N 1 0 307.438 2.045 10 0 DEAERO O[C@@H](CN[C@H]1CCCOc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000181987790 199371894 /nfs/dbraw/zinc/37/18/94/199371894.db2.gz AYQGSKTXQKISEQ-RDJZCZTQSA-N 1 0 322.424 2.476 10 0 DEAERO C(c1nc(C2CCCC2)no1)N1CCC([NH+]2CCOCC2)CC1 ZINC000625547046 365824357 /nfs/dbraw/zinc/82/43/57/365824357.db2.gz GRCZDMIDUZAIEP-UHFFFAOYSA-N 1 0 320.437 2.024 10 0 DEAERO C[C@@H](C(=O)N1C[C@H](c2ccccc2)OCC1(C)C)C1C[NH2+]C1 ZINC000262275081 295756425 /nfs/dbraw/zinc/75/64/25/295756425.db2.gz WHCPLGVGASVQKP-CZUORRHYSA-N 1 0 302.418 2.221 10 0 DEAERO COc1ccc([C@H]2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000333814114 282970885 /nfs/dbraw/zinc/97/08/85/282970885.db2.gz JUYIPIBYIPQWCR-JKSUJKDBSA-N 1 0 317.433 2.336 10 0 DEAERO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279670542 215048596 /nfs/dbraw/zinc/04/85/96/215048596.db2.gz FOXIIFMFQKJDOT-TZMCWYRMSA-N 1 0 308.426 2.155 10 0 DEAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000251315415 282587595 /nfs/dbraw/zinc/58/75/95/282587595.db2.gz LDYUTNWXIFKXOW-PMPSAXMXSA-N 1 0 316.511 2.462 10 0 DEAERO CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249554502 535072952 /nfs/dbraw/zinc/07/29/52/535072952.db2.gz JFJJTSHFKIDMQB-NOLJZWGESA-N 1 0 324.490 2.449 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1cc(Br)cs1 ZINC000070288085 190877563 /nfs/dbraw/zinc/87/75/63/190877563.db2.gz CWERJJVBYQPUNO-CMPLNLGQSA-N 1 0 319.268 2.492 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1cccc(Br)c1 ZINC000070287997 190877631 /nfs/dbraw/zinc/87/76/31/190877631.db2.gz ATYBZQQKMVKIBS-KBPBESRZSA-N 1 0 313.239 2.430 10 0 DEAERO [NH3+]C[C@H](n1cc(Br)cn1)C(F)(F)C(F)(F)F ZINC000616571259 362893465 /nfs/dbraw/zinc/89/34/65/362893465.db2.gz WKRMIUISCMUAOA-YFKPBYRVSA-N 1 0 308.048 2.343 10 0 DEAERO CC(C)(C)OC(=O)Nc1cccc([C@H]2COCCN2CC[NH3+])c1 ZINC000616640165 362901471 /nfs/dbraw/zinc/90/14/71/362901471.db2.gz SZTAIZVMNBNZQF-OAHLLOKOSA-N 1 0 321.421 2.366 10 0 DEAERO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1COCCN1CC[NH3+] ZINC000616640056 362901797 /nfs/dbraw/zinc/90/17/97/362901797.db2.gz SASNPLFWBFMOCJ-OAHLLOKOSA-N 1 0 321.421 2.366 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](n2cccn2)CC1 ZINC000616630427 362900830 /nfs/dbraw/zinc/90/08/30/362900830.db2.gz XPUWOZFHJNZQOY-AWEZNQCLSA-N 1 0 308.426 2.435 10 0 DEAERO C[C@H](OCC1CC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180117158 539643781 /nfs/dbraw/zinc/64/37/81/539643781.db2.gz YYOXJJPNVVUKSO-IAOVAPTHSA-N 1 0 302.418 2.363 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1(O)CCCCC1 ZINC000179715639 539642297 /nfs/dbraw/zinc/64/22/97/539642297.db2.gz ATMMZMOANQMUDG-HNNXBMFYSA-N 1 0 304.434 2.318 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NCC1CCC1)c1ccc2c(c1)OCCO2 ZINC000181756707 539653527 /nfs/dbraw/zinc/65/35/27/539653527.db2.gz AXPLMCDWFMFAEP-GFCCVEGCSA-N 1 0 304.390 2.025 10 0 DEAERO NC(=S)c1ccc([C@@H](O)C[NH+](CC2CC2)CC2CC2)cc1 ZINC000070505367 190902846 /nfs/dbraw/zinc/90/28/46/190902846.db2.gz WTXXTAXGBPMTRW-INIZCTEOSA-N 1 0 304.459 2.476 10 0 DEAERO CC[NH2+]C[C@@H]1CCCC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129997943 185927320 /nfs/dbraw/zinc/92/73/20/185927320.db2.gz LMHDGCNMZSMMRP-JYJNAYRXSA-N 1 0 316.511 2.464 10 0 DEAERO CC(C)[C@@H](C)[NH2+]CCn1cc(I)cn1 ZINC000070679151 190911039 /nfs/dbraw/zinc/91/10/39/190911039.db2.gz HXZASJRNMIBYQH-SECBINFHSA-N 1 0 307.179 2.122 10 0 DEAERO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183655696 539663898 /nfs/dbraw/zinc/66/38/98/539663898.db2.gz UZMWVKJYSBFVDB-MRXNPFEDSA-N 1 0 306.406 2.148 10 0 DEAERO COc1cccc(CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000184992882 539670278 /nfs/dbraw/zinc/67/02/78/539670278.db2.gz YBQQMPXFFJGSBD-CQSZACIVSA-N 1 0 320.437 2.154 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2coc(C)n2)CC1 ZINC000188115888 539681472 /nfs/dbraw/zinc/68/14/72/539681472.db2.gz WFIGCRGUUXXDDS-UHFFFAOYSA-N 1 0 314.389 2.377 10 0 DEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189032312 539686383 /nfs/dbraw/zinc/68/63/83/539686383.db2.gz VDRCIUIPZDBRGH-MEDUHNTESA-N 1 0 316.380 2.309 10 0 DEAERO Cc1cc(-n2cccn2)ccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000190798007 539696851 /nfs/dbraw/zinc/69/68/51/539696851.db2.gz BKIGYGRPQKODMO-OAHLLOKOSA-N 1 0 313.405 2.349 10 0 DEAERO COc1ccccc1NC(=O)CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193850122 539716356 /nfs/dbraw/zinc/71/63/56/539716356.db2.gz DXTPAUMTAQIARD-CYBMUJFWSA-N 1 0 314.389 2.236 10 0 DEAERO Cc1sc(Br)cc1[C@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000084006092 192395097 /nfs/dbraw/zinc/39/50/97/192395097.db2.gz UKWKGDRVTCVDFX-GMSGAONNSA-N 1 0 324.265 2.254 10 0 DEAERO C[NH2+][C@H](C[S@](=O)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000084052363 192397748 /nfs/dbraw/zinc/39/77/48/192397748.db2.gz PBHXRHTVWKUVEY-SPLOXXLWSA-N 1 0 309.431 2.410 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2cc(Br)ccc2F)CCC1=O ZINC000084059748 192397931 /nfs/dbraw/zinc/39/79/31/192397931.db2.gz FGHJKZBGCNTZNJ-NSHDSACASA-N 1 0 315.186 2.299 10 0 DEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000220526522 539727871 /nfs/dbraw/zinc/72/78/71/539727871.db2.gz RJTJJZDKBWHOJU-ZIAGYGMSSA-N 1 0 306.454 2.141 10 0 DEAERO Cn1cc(CN2Cc3ccc(C(F)(F)F)cc3[C@H]2C[NH3+])cn1 ZINC000071684071 191008225 /nfs/dbraw/zinc/00/82/25/191008225.db2.gz IDXBWVPWEPCTGW-CQSZACIVSA-N 1 0 310.323 2.455 10 0 DEAERO COc1cc([C@@H]([NH3+])c2c(Br)cnn2C)ccc1F ZINC000133723895 186009926 /nfs/dbraw/zinc/00/99/26/186009926.db2.gz ZVHHCAYBEPQBGQ-LLVKDONJSA-N 1 0 314.158 2.378 10 0 DEAERO CC[NH2+][C@H](CCN1CCS(=O)CC1)c1cc(C)cc(C)c1 ZINC000133722985 186010033 /nfs/dbraw/zinc/01/00/33/186010033.db2.gz WYVWKECBCQOHCZ-QGZVFWFLSA-N 1 0 308.491 2.408 10 0 DEAERO C[C@@H](NC(=O)c1cc(N)ccc1Br)c1ncc[nH]1 ZINC000138375779 186016566 /nfs/dbraw/zinc/01/65/66/186016566.db2.gz JTMPRRXTQNOZQZ-SSDOTTSWSA-N 1 0 309.167 2.245 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(OC)cc1OCCS(=O)(=O)CC ZINC000138536224 186017723 /nfs/dbraw/zinc/01/77/23/186017723.db2.gz QHHOUXKQFYYAFH-LBPRGKRZSA-N 1 0 315.435 2.179 10 0 DEAERO CC1(C)CCN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)CC1 ZINC000138987718 186019743 /nfs/dbraw/zinc/01/97/43/186019743.db2.gz MEKVTVKTTCYLLJ-UHFFFAOYSA-N 1 0 318.389 2.234 10 0 DEAERO CC[C@H](NS(=O)(=O)c1sc(Cl)nc1C)c1ncc[nH]1 ZINC000139453990 186022634 /nfs/dbraw/zinc/02/26/34/186022634.db2.gz ZNXKRQOIQZASNV-ZETCQYMHSA-N 1 0 320.827 2.258 10 0 DEAERO Cc1ccc([C@@H]2N[C@@H](C(C)C)C(=O)N2CCC[NH+](C)C)s1 ZINC000140465906 186026446 /nfs/dbraw/zinc/02/64/46/186026446.db2.gz LIMDZGNPJMIEOG-LSDHHAIUSA-N 1 0 309.479 2.463 10 0 DEAERO CC[C@@]1(C)N[C@@H](c2cccs2)N(C2CC[NH+](C)CC2)C1=O ZINC000141203687 186029459 /nfs/dbraw/zinc/02/94/59/186029459.db2.gz ZBZNGZCJFSFGRS-GDBMZVCRSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@H]1OCC[C@]1(C[NH3+])N(C)Cc1cc(Br)cs1 ZINC000147971453 186042373 /nfs/dbraw/zinc/04/23/73/186042373.db2.gz UTTIFXDQYJSVGI-BXKDBHETSA-N 1 0 319.268 2.449 10 0 DEAERO C[C@H]1OCC[C@@]12C[NH+]=C(N)N2c1cccc(Br)c1 ZINC000148449963 186044426 /nfs/dbraw/zinc/04/44/26/186044426.db2.gz BCUOVOIOVQUHGG-NOZJJQNGSA-N 1 0 310.195 2.131 10 0 DEAERO CC[C@H](C)[C@@H]1N[C@@H](c2cccs2)N([C@@H]2CC[N@H+](C)C2)C1=O ZINC000145246570 186037081 /nfs/dbraw/zinc/03/70/81/186037081.db2.gz ZMKLATGGQNCFGI-MYZSUADSSA-N 1 0 307.463 2.297 10 0 DEAERO CC(C)CN(CCC[NH3+])S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000149272160 186048632 /nfs/dbraw/zinc/04/86/32/186048632.db2.gz RNXJLISCMQBCGE-HNNXBMFYSA-N 1 0 312.479 2.427 10 0 DEAERO CC[NH2+][C@H](c1cnc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000150100808 186055183 /nfs/dbraw/zinc/05/51/83/186055183.db2.gz JNBCBNDLQRAHTI-BBRMVZONSA-N 1 0 304.415 2.320 10 0 DEAERO C[C@H](CS(=O)(=O)N1CCC[C@@H]1CCC[NH3+])c1ccccc1 ZINC000149592008 186051473 /nfs/dbraw/zinc/05/14/73/186051473.db2.gz IGILZYOMXIUFIH-ZBFHGGJFSA-N 1 0 310.463 2.323 10 0 DEAERO CCc1nn(C)c(C[NH2+][C@@H]2CCO[C@H]2C)c1Br ZINC000149589677 186051667 /nfs/dbraw/zinc/05/16/67/186051667.db2.gz IQDVUCLFWGZUPX-WCBMZHEXSA-N 1 0 302.216 2.012 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250993915 539783134 /nfs/dbraw/zinc/78/31/34/539783134.db2.gz QMUCJAPSSBBBPY-LSDHHAIUSA-N 1 0 308.447 2.148 10 0 DEAERO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2CC)CC1 ZINC000150743828 186062655 /nfs/dbraw/zinc/06/26/55/186062655.db2.gz DCCLPAMJWZDYAO-INIZCTEOSA-N 1 0 324.465 2.443 10 0 DEAERO CCC[NH2+][C@H](CCC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000150185459 186055398 /nfs/dbraw/zinc/05/53/98/186055398.db2.gz BYXRVELUSPVXQH-RBSFLKMASA-N 1 0 303.468 2.139 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)N(C)Cc1ccc(Br)o1 ZINC000150239050 186055994 /nfs/dbraw/zinc/05/59/94/186055994.db2.gz AIQHOHIRCSVMFD-SECBINFHSA-N 1 0 303.200 2.376 10 0 DEAERO C[C@H](C[NH3+])CC(=O)NCc1cc(F)ccc1Br ZINC000150336037 186056846 /nfs/dbraw/zinc/05/68/46/186056846.db2.gz YUBDTGSDILUXLL-QMMMGPOBSA-N 1 0 303.175 2.189 10 0 DEAERO C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000262363002 539788473 /nfs/dbraw/zinc/78/84/73/539788473.db2.gz WRARHJYEHMIZPK-DZUCGIPZSA-N 1 0 302.418 2.350 10 0 DEAERO COc1ccc(OC)c(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155679852 186102355 /nfs/dbraw/zinc/10/23/55/186102355.db2.gz OBHPAEITGMGGRS-BBRMVZONSA-N 1 0 320.433 2.091 10 0 DEAERO Fc1ccc(COC[C@@H]2C[NH2+]CCO2)cc1Br ZINC000164011987 186145903 /nfs/dbraw/zinc/14/59/03/186145903.db2.gz YLADHSHTTVLISA-JTQLQIEISA-N 1 0 304.159 2.093 10 0 DEAERO CC1CC(NS(=O)(=O)c2ccsc2C[NH2+]C2CC2)C1 ZINC000164013329 186146038 /nfs/dbraw/zinc/14/60/38/186146038.db2.gz WKKMJNDTNJAQGN-UHFFFAOYSA-N 1 0 300.449 2.077 10 0 DEAERO CCCNS(=O)(=O)c1ccc(N[C@](C)(C[NH3+])C(C)C)cc1 ZINC000155975855 186124987 /nfs/dbraw/zinc/12/49/87/186124987.db2.gz YTMKXNQUEYNCEF-OAHLLOKOSA-N 1 0 313.467 2.160 10 0 DEAERO Cc1cc(C)c(NC(=O)[C@@]2([NH3+])CCOC2)c(Br)c1 ZINC000159689592 186135900 /nfs/dbraw/zinc/13/59/00/186135900.db2.gz SSZXEJSPISHSAP-CYBMUJFWSA-N 1 0 313.195 2.122 10 0 DEAERO C[C@H]1CN(c2ccc(CC[NH3+])cc2C(F)(F)F)CC[N@@H+]1C ZINC000163863688 186140389 /nfs/dbraw/zinc/14/03/89/186140389.db2.gz GCOPKIZSAXMTQO-NSHDSACASA-N 1 0 301.356 2.347 10 0 DEAERO C[NH+]1CCN(CCNc2ccc(F)c(Br)c2)CC1 ZINC000163930417 186143046 /nfs/dbraw/zinc/14/30/46/186143046.db2.gz XVOCJFAIESZLKM-UHFFFAOYSA-N 1 0 316.218 2.248 10 0 DEAERO C[C@H](C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)C1C[NH2+]C1 ZINC000164278373 186154375 /nfs/dbraw/zinc/15/43/75/186154375.db2.gz GVLLZWDSFHUAAE-XHDPSFHLSA-N 1 0 308.809 2.095 10 0 DEAERO CC(C(=O)N(C)Cc1csc(Br)c1)=C1C[NH2+]C1 ZINC000164458330 186159342 /nfs/dbraw/zinc/15/93/42/186159342.db2.gz LQWQHGVBSOUYAL-UHFFFAOYSA-N 1 0 315.236 2.389 10 0 DEAERO Cc1ccc(C(N)=O)cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175736937 186191375 /nfs/dbraw/zinc/19/13/75/186191375.db2.gz MDXQTYYPBYRCCG-TZMCWYRMSA-N 1 0 318.421 2.040 10 0 DEAERO COc1ccc(NC(=O)C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)cc1 ZINC000188021094 186245392 /nfs/dbraw/zinc/24/53/92/186245392.db2.gz IHYLILMJZONJCP-CXAGYDPISA-N 1 0 306.406 2.117 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626007766 366001913 /nfs/dbraw/zinc/00/19/13/366001913.db2.gz UAGLWGOOFJKXIS-AWEZNQCLSA-N 1 0 301.308 2.404 10 0 DEAERO C[C@H]1CN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C[C@@H]1[NH3+] ZINC000333843988 282981303 /nfs/dbraw/zinc/98/13/03/282981303.db2.gz VQXMYUVXQZOCIR-GAQJKIJGSA-N 1 0 311.788 2.324 10 0 DEAERO C[N@H+](Cc1ccc(F)c(Br)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037534 366017696 /nfs/dbraw/zinc/01/76/96/366017696.db2.gz SWZQWCIQCAGJII-AOOOYVTPSA-N 1 0 315.186 2.284 10 0 DEAERO CC(C)Oc1ncccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171890229 198002495 /nfs/dbraw/zinc/00/24/95/198002495.db2.gz BYCFHFWTTCPHIB-ZDUSSCGKSA-N 1 0 304.394 2.181 10 0 DEAERO COC(=O)c1ccc(NC(=O)N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000171894404 198003067 /nfs/dbraw/zinc/00/30/67/198003067.db2.gz ZLVOAKUJNGRHIS-UHFFFAOYSA-N 1 0 323.368 2.170 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC000172054977 198031824 /nfs/dbraw/zinc/03/18/24/198031824.db2.gz KVBYBKMAWIVXNS-WMLDXEAASA-N 1 0 310.401 2.181 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000172168294 198051249 /nfs/dbraw/zinc/05/12/49/198051249.db2.gz VCXYIYJLVQQIKA-NWDGAFQWSA-N 1 0 303.406 2.281 10 0 DEAERO COC(=O)C1CCC([NH2+][C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000192439812 290941783 /nfs/dbraw/zinc/94/17/83/290941783.db2.gz NVOOVWQBQXTTCE-DAWZGUTISA-N 1 0 318.461 2.481 10 0 DEAERO O=C(NCC1(c2cccc(F)c2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172498059 198106311 /nfs/dbraw/zinc/10/63/11/198106311.db2.gz SQBARSCZNISBPH-MRXNPFEDSA-N 1 0 317.408 2.347 10 0 DEAERO CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000617414506 363125559 /nfs/dbraw/zinc/12/55/59/363125559.db2.gz KHMVQUTZSKRQES-INIZCTEOSA-N 1 0 318.417 2.259 10 0 DEAERO CCN(C(=O)c1ccoc1Br)[C@H]1CC[N@H+](C)C1 ZINC000617550767 363178899 /nfs/dbraw/zinc/17/88/99/363178899.db2.gz CIDCGOXZGKMHDV-VIFPVBQESA-N 1 0 301.184 2.208 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(Cl)cn2)CC[N@@H+]1C ZINC000172848004 198156975 /nfs/dbraw/zinc/15/69/75/198156975.db2.gz PUNYMNPMIBODAL-WCQYABFASA-N 1 0 310.829 2.088 10 0 DEAERO Cn1cnnc1[C@@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 ZINC000328625810 539909155 /nfs/dbraw/zinc/90/91/55/539909155.db2.gz DMQAXVVFMJNHAJ-FAAWYNLUSA-N 1 0 302.353 2.041 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1cncc(F)c1 ZINC000329326644 539917820 /nfs/dbraw/zinc/91/78/20/539917820.db2.gz JMHFRXNCWRAUNS-VBNZEHGJSA-N 1 0 321.396 2.041 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2ccccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000173269996 198204090 /nfs/dbraw/zinc/20/40/90/198204090.db2.gz JLRNFZJOFXADCL-OLZOCXBDSA-N 1 0 309.385 2.135 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(F)cccc2F)CC[N@@H+]1C ZINC000173273186 198204498 /nfs/dbraw/zinc/20/44/98/198204498.db2.gz WFPSKHSNAOEBBW-MNOVXSKESA-N 1 0 318.389 2.068 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2ccccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000173269978 198204681 /nfs/dbraw/zinc/20/46/81/198204681.db2.gz JLRNFZJOFXADCL-CHWSQXEVSA-N 1 0 309.385 2.135 10 0 DEAERO C[C@@H](CCc1ccccc1F)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000173522559 198223945 /nfs/dbraw/zinc/22/39/45/198223945.db2.gz LDTMNMKMXACDEL-GOEBONIOSA-N 1 0 322.424 2.183 10 0 DEAERO C[C@H](CCc1cccc(F)c1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000173522669 198223960 /nfs/dbraw/zinc/22/39/60/198223960.db2.gz WSGJWZNLOFVSJF-PBHICJAKSA-N 1 0 322.424 2.183 10 0 DEAERO CC(=O)CC[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000173531300 198224357 /nfs/dbraw/zinc/22/43/57/198224357.db2.gz UXGVSOWZGKTGEX-GFCCVEGCSA-N 1 0 319.323 2.356 10 0 DEAERO COCCN1CCN(C(=O)[C@@H](C)c2cccc(F)c2)C[C@@H]1C ZINC000173805729 198254216 /nfs/dbraw/zinc/25/42/16/198254216.db2.gz KHBDCIIWTBGPBN-KBPBESRZSA-N 1 0 308.397 2.108 10 0 DEAERO Cc1ccccc1OCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174204774 198305715 /nfs/dbraw/zinc/30/57/15/198305715.db2.gz MTNAXBYKSPAJII-CVEARBPZSA-N 1 0 319.449 2.498 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 ZINC000174182278 198302672 /nfs/dbraw/zinc/30/26/72/198302672.db2.gz MCHVOJAVEQPPOU-KRWDZBQOSA-N 1 0 301.434 2.453 10 0 DEAERO COC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000174628128 198361960 /nfs/dbraw/zinc/36/19/60/198361960.db2.gz DIXIQVKSMDXJOT-PVAVHDDUSA-N 1 0 319.449 2.498 10 0 DEAERO C=C/C(C)=C/CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617703864 363227976 /nfs/dbraw/zinc/22/79/76/363227976.db2.gz QEIXTKWTQGMQLL-FXZAEMTOSA-N 1 0 314.429 2.392 10 0 DEAERO O[C@H](C[N@@H+]1CCC[C@H](n2cncn2)C1)c1cccc(Cl)c1 ZINC000174785788 198385809 /nfs/dbraw/zinc/38/58/09/198385809.db2.gz JFEQASVIQOSATG-LSDHHAIUSA-N 1 0 306.797 2.302 10 0 DEAERO Fc1cc2c(c(F)c1F)[C@@H]([NH2+][C@H]1CCc3nnnn3CC1)CC2 ZINC000333510897 282933985 /nfs/dbraw/zinc/93/39/85/282933985.db2.gz JCRJMHDZJHNKOJ-ONGXEEELSA-N 1 0 323.322 2.072 10 0 DEAERO CC[NH+]1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000034005036 354160986 /nfs/dbraw/zinc/16/09/86/354160986.db2.gz LRPHYXJOPMBQTH-UHFFFAOYSA-N 1 0 319.424 2.206 10 0 DEAERO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@H](C)C3CC3)CC2)c1 ZINC000074766670 191358139 /nfs/dbraw/zinc/35/81/39/191358139.db2.gz PDTOVTJHTIGVDE-CYBMUJFWSA-N 1 0 318.417 2.260 10 0 DEAERO CCc1nc(-n2nc(C)cc2C)nc(N2CCC([NH3+])CC2)c1C ZINC000073663300 191338744 /nfs/dbraw/zinc/33/87/44/191338744.db2.gz HFLFFWBBOSWPJW-UHFFFAOYSA-N 1 0 314.437 2.077 10 0 DEAERO CCc1nc(-c2ccc(OC)cc2)nc(N2CC[NH2+]CC2)c1C ZINC000073662787 191338889 /nfs/dbraw/zinc/33/88/89/191338889.db2.gz VTWPURAMCIPPPF-UHFFFAOYSA-N 1 0 312.417 2.433 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000078524547 355265678 /nfs/dbraw/zinc/26/56/78/355265678.db2.gz PSBZQTHINKFNSM-CYBMUJFWSA-N 1 0 320.462 2.201 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2coc(-c3cccs3)n2)CCO1 ZINC000075133142 191427690 /nfs/dbraw/zinc/42/76/90/191427690.db2.gz ZNGVLPAJVWHTNR-ZDUSSCGKSA-N 1 0 307.419 2.166 10 0 DEAERO CC(C)C[C@H](c1ccc2c(c1)N(C)C(=O)CO2)N1CC[NH2+]CC1 ZINC000075271072 191453119 /nfs/dbraw/zinc/45/31/19/191453119.db2.gz ALZFAJXSISSECD-OAHLLOKOSA-N 1 0 317.433 2.034 10 0 DEAERO Brc1ccccc1-n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000404869248 540147131 /nfs/dbraw/zinc/14/71/31/540147131.db2.gz XLSJGKBBVKKRFA-SNVBAGLBSA-N 1 0 307.195 2.497 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415260659 540159538 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CNC(=O)N1Cc2ccccc2OC2(CC[NH+](C(C)C)CC2)C1 ZINC000169774549 355981894 /nfs/dbraw/zinc/98/18/94/355981894.db2.gz ATZLQHOFNFQWMP-UHFFFAOYSA-N 1 0 317.433 2.463 10 0 DEAERO C[N@H+](CC(=O)Nc1cccc(Br)c1)CC(C)(C)O ZINC000078777891 191929947 /nfs/dbraw/zinc/92/99/47/191929947.db2.gz IDUJCLTVRHSPDO-UHFFFAOYSA-N 1 0 315.211 2.090 10 0 DEAERO CCc1nc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)cs1 ZINC000171654969 356003717 /nfs/dbraw/zinc/00/37/17/356003717.db2.gz PDOYRQZJIXWCQB-UHFFFAOYSA-N 1 0 322.478 2.379 10 0 DEAERO CC[C@@H]1CN(Cc2cn(C)nc2C(C)(C)C)CC[N@@H+]1CCOC ZINC000180087463 356042465 /nfs/dbraw/zinc/04/24/65/356042465.db2.gz JACVPYKTNLJLIK-MRXNPFEDSA-N 1 0 322.497 2.260 10 0 DEAERO NC(=O)NC(=O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000180386883 356049502 /nfs/dbraw/zinc/04/95/02/356049502.db2.gz KXLGGRSSBUEBCV-INIZCTEOSA-N 1 0 311.385 2.145 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)cc1F ZINC000182021154 356106253 /nfs/dbraw/zinc/10/62/53/356106253.db2.gz NDUWKMRCGVBGIP-GHMZBOCLSA-N 1 0 303.399 2.166 10 0 DEAERO CCC[NH2+]CCCCn1cc(I)cn1 ZINC000079903690 191983364 /nfs/dbraw/zinc/98/33/64/191983364.db2.gz KDXZIOCLMCYMSD-UHFFFAOYSA-N 1 0 307.179 2.268 10 0 DEAERO CC(C)S(=O)(=O)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182285260 356118821 /nfs/dbraw/zinc/11/88/21/356118821.db2.gz RBBAIGISOHRLNP-LBPRGKRZSA-N 1 0 313.419 2.279 10 0 DEAERO CCCc1ccc(S(=O)(=O)NC2(C(N)=[NH2+])CCCC2)cc1 ZINC000079782500 191972164 /nfs/dbraw/zinc/97/21/64/191972164.db2.gz ARAQHFJXOTVSFG-UHFFFAOYSA-N 1 0 309.435 2.166 10 0 DEAERO C[C@@H](NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)C(C)(C)C ZINC000181753408 356093701 /nfs/dbraw/zinc/09/37/01/356093701.db2.gz JZRWOVNPHAJKMA-UONOGXRCSA-N 1 0 313.486 2.155 10 0 DEAERO CC[C@H](C)[C@H](C)[NH2+]CC(=O)NCCN1CCc2ccccc21 ZINC000183068026 356158934 /nfs/dbraw/zinc/15/89/34/356158934.db2.gz SIZSNEGPMQEQRA-GJZGRUSLSA-N 1 0 303.450 2.190 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]Cc2ccccc2OC2CCC2)C1 ZINC000183286979 356165501 /nfs/dbraw/zinc/16/55/01/356165501.db2.gz BUMOQXFGRFKFBD-AWEZNQCLSA-N 1 0 309.431 2.285 10 0 DEAERO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183484004 356173750 /nfs/dbraw/zinc/17/37/50/356173750.db2.gz FCWJUTLTWAXZEQ-INIZCTEOSA-N 1 0 324.490 2.422 10 0 DEAERO Cc1csc([C@H](C)NS(=O)(=O)c2ccc(C[NH3+])s2)n1 ZINC000080315393 192022786 /nfs/dbraw/zinc/02/27/86/192022786.db2.gz TYJYPIPFYPLMFS-QMMMGPOBSA-N 1 0 317.461 2.011 10 0 DEAERO C[C@@H]([NH2+]CCCn1ccnn1)c1ncc(Br)s1 ZINC000184270347 356189157 /nfs/dbraw/zinc/18/91/57/356189157.db2.gz BEPDTJBSYCHKSO-MRVPVSSYSA-N 1 0 316.228 2.238 10 0 DEAERO COC(=O)c1ccc(CNC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000185353126 356205919 /nfs/dbraw/zinc/20/59/19/356205919.db2.gz WXHPUHMLIJQJRY-UHFFFAOYSA-N 1 0 318.417 2.389 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC1CCSCC1 ZINC000195470542 356254570 /nfs/dbraw/zinc/25/45/70/356254570.db2.gz XQVDQQBSMKWNBP-INIZCTEOSA-N 1 0 321.490 2.354 10 0 DEAERO CCO[C@@H](CCNC(=O)N1CCC[N@@H+](C2CC2)CC1)C(C)C ZINC000080726654 192185656 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COc1cc([C@H](C)NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000262630869 356342873 /nfs/dbraw/zinc/34/28/73/356342873.db2.gz WDQRKOKEAJNENM-GVXVVHGQSA-N 1 0 322.405 2.017 10 0 DEAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1coc(Br)c1 ZINC000265215885 356346636 /nfs/dbraw/zinc/34/66/36/356346636.db2.gz CARYGALSOXTBAB-SNVBAGLBSA-N 1 0 315.211 2.456 10 0 DEAERO Cc1noc(CC[NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000400694675 283157875 /nfs/dbraw/zinc/15/78/75/283157875.db2.gz IZGJJZTXDBAJEP-YPMHNXCESA-N 1 0 324.425 2.156 10 0 DEAERO COC[C@@H]1CCN([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000081049206 192218876 /nfs/dbraw/zinc/21/88/76/192218876.db2.gz VAFKILIBKFWIAP-RISCZKNCSA-N 1 0 300.349 2.256 10 0 DEAERO C[C@@H]([NH3+])C(=O)Nc1cc(I)ccc1Cl ZINC000300987219 356391330 /nfs/dbraw/zinc/39/13/30/356391330.db2.gz UBZGGUNBWWIOIZ-RXMQYKEDSA-N 1 0 324.549 2.230 10 0 DEAERO CC(C)[C@H](O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400474249 283157572 /nfs/dbraw/zinc/15/75/72/283157572.db2.gz ZDSWCJCCPMIIIA-HZSPNIEDSA-N 1 0 300.443 2.238 10 0 DEAERO CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401950202 283162020 /nfs/dbraw/zinc/16/20/20/283162020.db2.gz UDYKXRHWRSONBN-DLBZAZTESA-N 1 0 317.433 2.081 10 0 DEAERO Nc1c(Br)cc(Br)cc1[C@@H]([NH3+])CC[NH3+] ZINC000306727354 356405546 /nfs/dbraw/zinc/40/55/46/356405546.db2.gz JGKCXGCZNMMKJX-QMMMGPOBSA-N 1 0 323.032 2.142 10 0 DEAERO Cc1c([C@H]2OCC[C@@H]2[NH2+]C[C@@H](O)c2ccccc2C)cnn1C ZINC000328618758 356460542 /nfs/dbraw/zinc/46/05/42/356460542.db2.gz FAWRPXQQGNLPJY-RCCFBDPRSA-N 1 0 315.417 2.190 10 0 DEAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2nc3c(s2)CCC3)cn1 ZINC000328629730 356463620 /nfs/dbraw/zinc/46/36/20/356463620.db2.gz IPHNCTXKBQJCRX-XJKSGUPXSA-N 1 0 318.446 2.375 10 0 DEAERO Brc1cc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)cs1 ZINC000404261630 283164951 /nfs/dbraw/zinc/16/49/51/283164951.db2.gz OLCPBIJSFNUCAK-WDEREUQCSA-N 1 0 317.252 2.073 10 0 DEAERO CC(C)c1nc(=N[C@H]2CCO[C@@H](c3cncn3C)C2)s[n-]1 ZINC000328641812 356466106 /nfs/dbraw/zinc/46/61/06/356466106.db2.gz YAJMNTVEGNVTIS-CMPLNLGQSA-N 1 0 307.423 2.149 10 0 DEAERO C[N@H+](CC1CC1)C[C@H]1CN(Cc2ccc3c[nH]nc3c2)CCO1 ZINC000328656517 356466843 /nfs/dbraw/zinc/46/68/43/356466843.db2.gz ZJNBIIFOOJSRSU-KRWDZBQOSA-N 1 0 314.433 2.106 10 0 DEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cccnc1OC1CCCC1 ZINC000236949944 202088440 /nfs/dbraw/zinc/08/84/40/202088440.db2.gz MCPYSAUWZNZUIN-DOMZBBRYSA-N 1 0 305.422 2.393 10 0 DEAERO C[C@@H](O)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000085984423 192542157 /nfs/dbraw/zinc/54/21/57/192542157.db2.gz WHDFLPVBQRWPBS-HZSPNIEDSA-N 1 0 300.443 2.383 10 0 DEAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000086025635 192545065 /nfs/dbraw/zinc/54/50/65/192545065.db2.gz KQUVQHLVDJHRPV-NOZJJQNGSA-N 1 0 305.802 2.044 10 0 DEAERO CC[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000086091379 192547789 /nfs/dbraw/zinc/54/77/89/192547789.db2.gz DSZWYISYJJLDCU-UHOFOFEASA-N 1 0 310.463 2.389 10 0 DEAERO C[C@@H]1CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)[C@@H](C)C[NH2+]1 ZINC000086467355 192573915 /nfs/dbraw/zinc/57/39/15/192573915.db2.gz FKLOJTPYQGMITJ-RITPCOANSA-N 1 0 308.250 2.205 10 0 DEAERO N#Cc1cncnc1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379665897 356668470 /nfs/dbraw/zinc/66/84/70/356668470.db2.gz URIXRJIJAOEFTQ-QGZVFWFLSA-N 1 0 307.401 2.237 10 0 DEAERO Cc1nc(SC[C@](O)(C[NH3+])c2ccccc2)nc(C)c1C ZINC000086646989 192588490 /nfs/dbraw/zinc/58/84/90/192588490.db2.gz GJIALADIQZRWGT-MRXNPFEDSA-N 1 0 303.431 2.340 10 0 DEAERO CN(CCOCc1ccccc1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000384077435 356682018 /nfs/dbraw/zinc/68/20/18/356682018.db2.gz SZOWVHGYYAGHPD-INIZCTEOSA-N 1 0 304.434 2.440 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CCCN1Cc1ccccc1)C(F)(F)F ZINC000390698258 356709766 /nfs/dbraw/zinc/70/97/66/356709766.db2.gz IPYVMSVJLYWEAK-ZIAGYGMSSA-N 1 0 302.340 2.164 10 0 DEAERO C/C=C\c1ccc(OCC(=O)N2CC[NH2+][C@H](C)[C@H]2C)c(OC)c1 ZINC000578870395 356885255 /nfs/dbraw/zinc/88/52/55/356885255.db2.gz 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CCc1ncc(C[NH2+][C@H]2CC(=O)N(C3CCCCC3)C2)cn1 ZINC000516258104 283505114 /nfs/dbraw/zinc/50/51/14/283505114.db2.gz JYHMGVIMPJSOSR-AWEZNQCLSA-N 1 0 302.422 2.062 10 0 DEAERO COc1ccc2[nH]c(C(=O)NCCC[NH+]3CCCC3)cc2c1 ZINC000188909712 200321197 /nfs/dbraw/zinc/32/11/97/200321197.db2.gz DQKQBFMJKSTNPD-UHFFFAOYSA-N 1 0 301.390 2.392 10 0 DEAERO Cn1cc(-c2cc(C[NH+]3CCC([C@H]4CCCO4)CC3)on2)cn1 ZINC000189217577 200365525 /nfs/dbraw/zinc/36/55/25/200365525.db2.gz KOBWBWISXULGLO-QGZVFWFLSA-N 1 0 316.405 2.466 10 0 DEAERO OC[C@@H]([NH2+]CCOCC(F)F)c1cccc(Br)c1 ZINC000189882181 200464981 /nfs/dbraw/zinc/46/49/81/200464981.db2.gz UDONVBIDIVHYKK-LLVKDONJSA-N 1 0 324.165 2.354 10 0 DEAERO CC(C)N(C)c1ccc(C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)cn1 ZINC000191148503 200634755 /nfs/dbraw/zinc/63/47/55/200634755.db2.gz VXDZSSPXUOUFOE-GJZGRUSLSA-N 1 0 304.438 2.060 10 0 DEAERO Cn1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000607538320 361095230 /nfs/dbraw/zinc/09/52/30/361095230.db2.gz PDJGMXTVTHPEHN-WFASDCNBSA-N 1 0 318.446 2.295 10 0 DEAERO c1nc2c(ncnc2N2CC[C@H](C[NH+]3CCCC3)C2)n1C1CC1 ZINC000292789637 223247425 /nfs/dbraw/zinc/24/74/25/223247425.db2.gz QIHQLQMCVBYWLF-CYBMUJFWSA-N 1 0 312.421 2.083 10 0 DEAERO COc1ccc(CNC(=O)CC[C@@H](C)[NH3+])cc1Br ZINC000193233739 201010786 /nfs/dbraw/zinc/01/07/86/201010786.db2.gz YCYQNGSRFJGNDA-SECBINFHSA-N 1 0 315.211 2.201 10 0 DEAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000193358411 201038071 /nfs/dbraw/zinc/03/80/71/201038071.db2.gz DNMSSPMNJXRDKV-WMLDXEAASA-N 1 0 318.421 2.096 10 0 DEAERO CCc1ccc(C(=O)CCC(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000193659287 201096996 /nfs/dbraw/zinc/09/69/96/201096996.db2.gz ZQSNHLNFKKLBQP-BBRMVZONSA-N 1 0 302.418 2.469 10 0 DEAERO COC[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)C1CCOCC1 ZINC000446939017 238858598 /nfs/dbraw/zinc/85/85/98/238858598.db2.gz LEPJUPLOCIQZDG-HZPDHXFCSA-N 1 0 321.417 2.248 10 0 DEAERO C[NH2+][C@H]1CCCN([C@@H]2CCCN(c3ccc(F)cc3C)C2=O)C1 ZINC000261820981 283681886 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CCOC(=O)[C@H]1C[N@H+](Cc2ccc(SC)cc2)CC12COC2 ZINC000449357579 240391020 /nfs/dbraw/zinc/39/10/20/240391020.db2.gz DUWLVMUMXLPHEV-OAHLLOKOSA-N 1 0 321.442 2.420 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2OCC)CC12COC2 ZINC000449356686 240391603 /nfs/dbraw/zinc/39/16/03/240391603.db2.gz CLPIRQRBDOOYFS-OAHLLOKOSA-N 1 0 319.401 2.097 10 0 DEAERO C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cc(F)ccc1F ZINC000091134715 193000144 /nfs/dbraw/zinc/00/01/44/193000144.db2.gz ULEOUNBQOVTTAC-ONGXEEELSA-N 1 0 300.374 2.237 10 0 DEAERO CC1(C)Oc2ccc(NC(=O)C[C@H]3CSCC[NH2+]3)cc2O1 ZINC000091134736 193000295 /nfs/dbraw/zinc/00/02/95/193000295.db2.gz CPPQIJSSBQEBLV-NSHDSACASA-N 1 0 308.403 2.228 10 0 DEAERO COc1ccccc1[C@H](C)N(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000091136085 193001921 /nfs/dbraw/zinc/00/19/21/193001921.db2.gz WUCUPCYSYPIWGI-STQMWFEESA-N 1 0 308.447 2.310 10 0 DEAERO Fc1ccccc1N1CCN(CC[C@@H]2CSCC[NH2+]2)CC1 ZINC000091292043 193033367 /nfs/dbraw/zinc/03/33/67/193033367.db2.gz ORFPXKVIBHHXBK-CQSZACIVSA-N 1 0 309.454 2.043 10 0 DEAERO CCC[NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1C(C)C ZINC000091337286 193042978 /nfs/dbraw/zinc/04/29/78/193042978.db2.gz ZPXAGJKAGFQESD-OAHLLOKOSA-N 1 0 313.467 2.040 10 0 DEAERO CC[NH2+]CC[C@](C)(O)Cc1c(Br)c(CC)nn1C ZINC000091465001 193059197 /nfs/dbraw/zinc/05/91/97/193059197.db2.gz BPWHYGRZBVQYAN-ZDUSSCGKSA-N 1 0 318.259 2.038 10 0 DEAERO Cc1ncc(N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)nc1C ZINC000091411929 193052181 /nfs/dbraw/zinc/05/21/81/193052181.db2.gz AGHOWSSNBOWIFZ-IAGOWNOFSA-N 1 0 318.465 2.014 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)Cc1cc(Cl)ccc1OC ZINC000091521070 193068819 /nfs/dbraw/zinc/06/88/19/193068819.db2.gz JZSDUPWCDXCYHP-OAHLLOKOSA-N 1 0 301.814 2.268 10 0 DEAERO Fc1cc(Br)cnc1N1CC[NH+]2CCC1CC2 ZINC000624150195 365308093 /nfs/dbraw/zinc/30/80/93/365308093.db2.gz VFVWFOALFYMBRD-UHFFFAOYSA-N 1 0 300.175 2.268 10 0 DEAERO CC[C@](C)([C@H](CCCS(=O)(=O)CC)[NH2+]C)N1CCCCC1 ZINC000091609592 193079443 /nfs/dbraw/zinc/07/94/43/193079443.db2.gz QMEIDQXDAIVXFX-JKSUJKDBSA-N 1 0 318.527 2.444 10 0 DEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)C(CC)(CC)N(C)C ZINC000091614625 193079645 /nfs/dbraw/zinc/07/96/45/193079645.db2.gz CCRPZRUDTSYPCQ-AWEZNQCLSA-N 1 0 306.516 2.300 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cc(C(F)(F)F)ccc2C)C1 ZINC000091479776 193062180 /nfs/dbraw/zinc/06/21/80/193062180.db2.gz FOSOSCSGSVSZGN-JQWIXIFHSA-N 1 0 302.296 2.329 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(Br)cc1 ZINC000624235886 365345607 /nfs/dbraw/zinc/34/56/07/365345607.db2.gz RHTDAXGPOMKTJL-BIMULSAOSA-N 1 0 300.196 2.250 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1sccc1Br ZINC000624237377 365345823 /nfs/dbraw/zinc/34/58/23/365345823.db2.gz WCNNAHYCUQNTIC-HGNGGELXSA-N 1 0 306.225 2.311 10 0 DEAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000624238731 365346761 /nfs/dbraw/zinc/34/67/61/365346761.db2.gz XNSPORARCWPQDB-MELADBBJSA-N 1 0 312.207 2.176 10 0 DEAERO O=C1N(Cc2ccc(Cl)cc2Cl)C[C@H]2C[NH2+]CCN12 ZINC000091750638 193101554 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COc1cc(Br)c([C@@H](O)[C@@H](C)C[NH3+])cc1OC ZINC000091908905 193124517 /nfs/dbraw/zinc/12/45/17/193124517.db2.gz QVJQRLQJRWSCKP-MADCSZMMSA-N 1 0 304.184 2.095 10 0 DEAERO C[C@@](O)(c1cccc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000091905866 193124559 /nfs/dbraw/zinc/12/45/59/193124559.db2.gz WHEVXHWFGXJRSN-CYBMUJFWSA-N 1 0 314.223 2.412 10 0 DEAERO C[C@@](O)(c1ccc(Br)cc1)C1(C[NH3+])CCOCC1 ZINC000091905822 193124939 /nfs/dbraw/zinc/12/49/39/193124939.db2.gz DLOMHVNECLNYQJ-CYBMUJFWSA-N 1 0 314.223 2.412 10 0 DEAERO CC(C)C1CCC(C[NH3+])([C@@]2(O)CCC[C@@H]2S(C)(=O)=O)CC1 ZINC000091922098 193127067 /nfs/dbraw/zinc/12/70/67/193127067.db2.gz LMHFVDZUGJAFKR-BHDPWAOGSA-N 1 0 317.495 2.106 10 0 DEAERO C[C@@H]1CCCN(C(=O)N(CC(F)(F)F)C2CC[NH2+]CC2)C1 ZINC000091973033 193134030 /nfs/dbraw/zinc/13/40/30/193134030.db2.gz IDLPALMQKCBFLG-LLVKDONJSA-N 1 0 307.360 2.455 10 0 DEAERO COCC[NH2+]Cc1nc(C)ccc1OCCOC(F)(F)F ZINC000091996553 193138538 /nfs/dbraw/zinc/13/85/38/193138538.db2.gz FBTTZNFSAWKHPB-UHFFFAOYSA-N 1 0 308.300 2.041 10 0 DEAERO Cc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000092044765 193145108 /nfs/dbraw/zinc/14/51/08/193145108.db2.gz GDUFIUVNWMTZCH-CQSZACIVSA-N 1 0 314.476 2.056 10 0 DEAERO CN1CCO[C@H](C[NH2+]CCc2ccc(Cl)cc2Cl)C1 ZINC000092055237 193149279 /nfs/dbraw/zinc/14/92/79/193149279.db2.gz BPPCDVHVOXWSAQ-CYBMUJFWSA-N 1 0 303.233 2.456 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)[C@H](C)Oc2ccccn2)CC1 ZINC000449947989 241289638 /nfs/dbraw/zinc/28/96/38/241289638.db2.gz KTDBLJVNLUAXJM-AWEZNQCLSA-N 1 0 305.422 2.087 10 0 DEAERO C[C@]1(C(N)=O)CCCC[N@@H+]1CCCOCCc1ccccc1 ZINC000185945756 291375356 /nfs/dbraw/zinc/37/53/56/291375356.db2.gz LIRVBOPJOJAYJF-GOSISDBHSA-N 1 0 304.434 2.366 10 0 DEAERO COC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000261862547 283935752 /nfs/dbraw/zinc/93/57/52/283935752.db2.gz XABOPAJHBSYKST-LCGIIJARSA-N 1 0 318.417 2.028 10 0 DEAERO COc1nsc(C[NH2+][C@@H](C)C2(CO)CC2)c1Br ZINC000630077133 367460063 /nfs/dbraw/zinc/46/00/63/367460063.db2.gz PDDGQCGNDJKIBG-ZETCQYMHSA-N 1 0 321.240 2.165 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000450677483 242089191 /nfs/dbraw/zinc/08/91/91/242089191.db2.gz GNXKDXNTANDOHB-YVEFUNNKSA-N 1 0 301.390 2.171 10 0 DEAERO CO[C@@H]1CN(C(=O)c2cccc(Cl)c2F)[C@@](C)(C[NH3+])C1 ZINC000630376443 367619216 /nfs/dbraw/zinc/61/92/16/367619216.db2.gz WGSWHGQCTWDTPT-LKFCYVNXSA-N 1 0 300.761 2.057 10 0 DEAERO CC(=O)[C@](C)(O)CN(C)Cc1ccc(F)cc1Br ZINC000450840025 242292773 /nfs/dbraw/zinc/29/27/73/242292773.db2.gz VOUQSMOKYCBGBA-CYBMUJFWSA-N 1 0 318.186 2.360 10 0 DEAERO c1ccc2c(c1)CCN2c1cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)ncn1 ZINC000630555574 367725038 /nfs/dbraw/zinc/72/50/38/367725038.db2.gz CYDYYARHMSSJEP-GASCZTMLSA-N 1 0 307.401 2.111 10 0 DEAERO [NH3+]C[C@@H]1CN(c2nnc(C(F)F)s2)CC[C@@H]1C(F)(F)F ZINC000630527806 367708292 /nfs/dbraw/zinc/70/82/92/367708292.db2.gz WAUBHSFMRHZYOO-RITPCOANSA-N 1 0 316.299 2.439 10 0 DEAERO C[NH2+]Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1 ZINC000092113521 193161271 /nfs/dbraw/zinc/16/12/71/193161271.db2.gz XIRHDGPGQNHHOD-GHMZBOCLSA-N 1 0 316.854 2.336 10 0 DEAERO CC(C)[NH2+]Cc1cccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1 ZINC000092113714 193161444 /nfs/dbraw/zinc/16/14/44/193161444.db2.gz RGXUGPWQZWUELZ-ZIAGYGMSSA-N 1 0 310.463 2.461 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cs1 ZINC000092113673 193161755 /nfs/dbraw/zinc/16/17/55/193161755.db2.gz ZHXVBYNJIRCLOR-QWRGUYRKSA-N 1 0 302.465 2.134 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)c(F)c1 ZINC000092115548 193163023 /nfs/dbraw/zinc/16/30/23/193163023.db2.gz PTMDCWRLURKHCX-RYUDHWBXSA-N 1 0 314.426 2.497 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC(C)CC2)c(F)c1 ZINC000092115453 193163399 /nfs/dbraw/zinc/16/33/99/193163399.db2.gz OFVAMUGUVSBKOV-UHFFFAOYSA-N 1 0 314.426 2.356 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c(F)c1 ZINC000092115531 193163696 /nfs/dbraw/zinc/16/36/96/193163696.db2.gz ADPLLJOJXCHASU-TXEJJXNPSA-N 1 0 314.426 2.212 10 0 DEAERO CC(C)C[C@H](C)N(C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115963 193163893 /nfs/dbraw/zinc/16/38/93/193163893.db2.gz UXBZEULOQBOTKU-NSHDSACASA-N 1 0 302.415 2.340 10 0 DEAERO Cc1cncc(CC[NH2+]Cc2ccncc2Br)n1 ZINC000631176768 368062523 /nfs/dbraw/zinc/06/25/23/368062523.db2.gz WTGOWZTXVAVPIT-UHFFFAOYSA-N 1 0 307.195 2.275 10 0 DEAERO O=C1CC[C@@H](C[NH2+]Cc2cccc(Br)c2Cl)N1 ZINC000631176761 368062706 /nfs/dbraw/zinc/06/27/06/368062706.db2.gz WJYJUFSCYRFXCF-VIFPVBQESA-N 1 0 317.614 2.471 10 0 DEAERO c1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)n(CC2CCC2)n1 ZINC000631105918 368019999 /nfs/dbraw/zinc/01/99/99/368019999.db2.gz PGKHQPXCMPWSSP-NVXWUHKLSA-N 1 0 305.422 2.111 10 0 DEAERO c1cncc([C@H]2CCC[C@@H]([NH2+]C3CN(c4ccncn4)C3)C2)c1 ZINC000631257516 368106622 /nfs/dbraw/zinc/10/66/22/368106622.db2.gz ZMTLYJIGGQVECR-GOEBONIOSA-N 1 0 309.417 2.376 10 0 DEAERO c1cc(C[NH2+]Cc2cnc(N3CCCC3)nc2)c2c(c1)COCC2 ZINC000631245639 368100188 /nfs/dbraw/zinc/10/01/88/368100188.db2.gz RZKRWPFPKIUBIY-UHFFFAOYSA-N 1 0 324.428 2.439 10 0 DEAERO c1cc(-c2noc(CN3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cs1 ZINC000631886686 368443591 /nfs/dbraw/zinc/44/35/91/368443591.db2.gz LGRLRTWGACNOGZ-AAEUAGOBSA-N 1 0 304.419 2.372 10 0 DEAERO Brc1cncc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890150 368445718 /nfs/dbraw/zinc/44/57/18/368445718.db2.gz PAVYSCGIXOVPTH-OCCSQVGLSA-N 1 0 310.239 2.418 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000631968732 368472186 /nfs/dbraw/zinc/47/21/86/368472186.db2.gz WYNZVHBVEXQPSD-IUCAKERBSA-N 1 0 323.245 2.209 10 0 DEAERO [NH3+][C@@H]1CCCCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000631960196 368468023 /nfs/dbraw/zinc/46/80/23/368468023.db2.gz KHWQLVQWROLDCL-SECBINFHSA-N 1 0 308.856 2.294 10 0 DEAERO Nc1[nH+]c2cc(Cl)c(F)cc2n1CCCC(=O)NC1CC1 ZINC000092996973 193191742 /nfs/dbraw/zinc/19/17/42/193191742.db2.gz FEOACPCLGIBHDO-UHFFFAOYSA-N 1 0 310.760 2.470 10 0 DEAERO COCC[NH2+]Cc1sc(N(C)CCOC)nc1C(C)C ZINC000093000124 193192536 /nfs/dbraw/zinc/19/25/36/193192536.db2.gz IJSCYTGQLXOSTM-UHFFFAOYSA-N 1 0 301.456 2.085 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452099198 243884255 /nfs/dbraw/zinc/88/42/55/243884255.db2.gz VVPUIYGVDHDCRH-AWEZNQCLSA-N 1 0 314.426 2.237 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)nc1 ZINC000093097521 193202829 /nfs/dbraw/zinc/20/28/29/193202829.db2.gz CELSSEOHXBFGIR-ZYHUDNBSSA-N 1 0 324.222 2.153 10 0 DEAERO COCC[NH2+]C[C@H](CCCS(C)(=O)=O)c1ccccc1C ZINC000093105600 193203902 /nfs/dbraw/zinc/20/39/02/193203902.db2.gz RHXUXAIPNKBMHR-HNNXBMFYSA-N 1 0 313.463 2.139 10 0 DEAERO CC[NH2+]C[C@H](c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000093147622 193208193 /nfs/dbraw/zinc/20/81/93/193208193.db2.gz SLQNZSOOVMOYBG-TZMCWYRMSA-N 1 0 301.839 2.468 10 0 DEAERO O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000262179130 203220452 /nfs/dbraw/zinc/22/04/52/203220452.db2.gz ZEIFQMRKBROMOS-STQMWFEESA-N 1 0 300.324 2.418 10 0 DEAERO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)CC[NH2+]1 ZINC000262359114 203272296 /nfs/dbraw/zinc/27/22/96/203272296.db2.gz IJGLIJRAKFSSNS-NURSFMCSSA-N 1 0 314.788 2.017 10 0 DEAERO COCC[NH2+]C[C@H](CCS(C)(=O)=O)c1ccccc1Cl ZINC000093179624 193212489 /nfs/dbraw/zinc/21/24/89/193212489.db2.gz MDIDSVRNVVNFAU-LBPRGKRZSA-N 1 0 319.854 2.094 10 0 DEAERO Cc1c(C[S@@](C)=O)cccc1NC(=O)C1([NH3+])CCCCC1 ZINC000262491703 203308562 /nfs/dbraw/zinc/30/85/62/203308562.db2.gz XKNYWPMFDXFEPW-OAQYLSRUSA-N 1 0 308.447 2.474 10 0 DEAERO C[C@H]([NH3+])C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000262511020 203314685 /nfs/dbraw/zinc/31/46/85/203314685.db2.gz BIQIBELNHRLDNI-XHDPSFHLSA-N 1 0 303.793 2.482 10 0 DEAERO O=C(C1CC[NH2+]CC1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000262454083 203298611 /nfs/dbraw/zinc/29/86/11/203298611.db2.gz GZWUZAGRTNPMMN-KGLIPLIRSA-N 1 0 308.447 2.162 10 0 DEAERO CCn1ncnc1CC1(c2ccccc2Br)C[NH2+]C1 ZINC000093197294 193214343 /nfs/dbraw/zinc/21/43/43/193214343.db2.gz FNPUVHXPIWVUEJ-UHFFFAOYSA-N 1 0 321.222 2.144 10 0 DEAERO O=S1(=O)CC[C@H](C2(C[C@H]3CSc4ccccc43)C[NH2+]C2)C1 ZINC000093195485 193214956 /nfs/dbraw/zinc/21/49/56/193214956.db2.gz HYVKHJVLYVQOKY-STQMWFEESA-N 1 0 323.483 2.290 10 0 DEAERO CSCC[C@@H]([NH3+])C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000262592168 203342656 /nfs/dbraw/zinc/34/26/56/203342656.db2.gz VDRIVGWLDFGEJA-CQSZACIVSA-N 1 0 310.438 2.345 10 0 DEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])N(C)[C@@H](C)Cc1cccs1 ZINC000093267389 193222326 /nfs/dbraw/zinc/22/23/26/193222326.db2.gz XVHNSIBHOQEXOA-KBPBESRZSA-N 1 0 311.495 2.197 10 0 DEAERO CCN(CC)C(=O)C[C@H](C[NH3+])N(C)[C@@H](C)Cc1cccs1 ZINC000093267390 193222925 /nfs/dbraw/zinc/22/29/25/193222925.db2.gz XVHNSIBHOQEXOA-UONOGXRCSA-N 1 0 311.495 2.197 10 0 DEAERO COCc1cc(NC(=O)NCCC[NH+](C(C)C)C(C)C)ncn1 ZINC000093316551 193229872 /nfs/dbraw/zinc/22/98/72/193229872.db2.gz OOCMSFBWAKOMMW-UHFFFAOYSA-N 1 0 323.441 2.253 10 0 DEAERO C[C@H](Cc1cccs1)N(C)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000093294587 193226822 /nfs/dbraw/zinc/22/68/22/193226822.db2.gz AAUINYORFRVFBF-GFCCVEGCSA-N 1 0 324.471 2.459 10 0 DEAERO CS(=O)(=O)c1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452487 193254090 /nfs/dbraw/zinc/25/40/90/193254090.db2.gz ZKGBONOLNHDRNK-OWCLPIDISA-N 1 0 308.447 2.423 10 0 DEAERO C[C@@H](C[C@H]1CCCC[NH2+]1)NCc1ccc(S(C)(=O)=O)cc1 ZINC000093486724 193257979 /nfs/dbraw/zinc/25/79/79/193257979.db2.gz GSWZTTCSWHZHSP-DZGCQCFKSA-N 1 0 310.463 2.100 10 0 DEAERO CC[C@]1(COC)C[NH+]=C(N)N1c1cccc(Br)c1 ZINC000093387149 193241491 /nfs/dbraw/zinc/24/14/91/193241491.db2.gz XROCKFCEUWVTPH-CYBMUJFWSA-N 1 0 312.211 2.379 10 0 DEAERO O=C(c1cccs1)N1CCC[N@H+](CC2=CCCOC2)CC1 ZINC000093385914 193242151 /nfs/dbraw/zinc/24/21/51/193242151.db2.gz GSWBYDMOEZBIPB-UHFFFAOYSA-N 1 0 306.431 2.243 10 0 DEAERO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)c1 ZINC000093520526 193263323 /nfs/dbraw/zinc/26/33/23/193263323.db2.gz JRUHVUOSGGKDSP-NSHDSACASA-N 1 0 312.435 2.119 10 0 DEAERO CC[C@H]1C[NH2+]C(CC)(CC)CN1CC(C)(C)S(C)(=O)=O ZINC000093525804 193263661 /nfs/dbraw/zinc/26/36/61/193263661.db2.gz XNWKLUAAMSKQRP-ZDUSSCGKSA-N 1 0 304.500 2.052 10 0 DEAERO NC(=O)[C@@]1([NH3+])CCC[C@@H]1CCSc1ccc(F)c(F)c1 ZINC000093627220 193276164 /nfs/dbraw/zinc/27/61/64/193276164.db2.gz OSKMJLQLSFGUIP-YMTOWFKASA-N 1 0 300.374 2.430 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1nncs1 ZINC000093629402 193276744 /nfs/dbraw/zinc/27/67/44/193276744.db2.gz CXYDGUDXVJORJV-GXFFZTMASA-N 1 0 314.480 2.044 10 0 DEAERO CC[NH2+][C@H](Cc1c(Br)c(CC)nn1C)[C@@H](C)OC ZINC000093690685 193289155 /nfs/dbraw/zinc/28/91/55/193289155.db2.gz DTRACTNLVBCENN-MWLCHTKSSA-N 1 0 318.259 2.301 10 0 DEAERO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696675 193291683 /nfs/dbraw/zinc/29/16/83/193291683.db2.gz PECDTHDXBLBDGB-QLFBSQMISA-N 1 0 302.484 2.074 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000093696623 193291798 /nfs/dbraw/zinc/29/17/98/193291798.db2.gz BDHLLWBTLMOEDO-QWHCGFSZSA-N 1 0 314.426 2.148 10 0 DEAERO C[NH2+][C@H](CC[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093697930 193292703 /nfs/dbraw/zinc/29/27/03/193292703.db2.gz WTSVHAZHESITTM-GOEBONIOSA-N 1 0 310.463 2.399 10 0 DEAERO CCC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCC1 ZINC000093700398 193293909 /nfs/dbraw/zinc/29/39/09/193293909.db2.gz AQQSJTUFBFESEH-UKRRQHHQSA-N 1 0 302.484 2.216 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)cc1 ZINC000093699879 193294368 /nfs/dbraw/zinc/29/43/68/193294368.db2.gz XLZALGNWQMFKQO-GOEBONIOSA-N 1 0 310.463 2.317 10 0 DEAERO CC[NH2+]C[C@@H](CC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701350 193294695 /nfs/dbraw/zinc/29/46/95/193294695.db2.gz MPTPRMCNYFTOLT-CABCVRRESA-N 1 0 304.500 2.320 10 0 DEAERO CCC[NH2+]C[C@@H](CCC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701371 193294863 /nfs/dbraw/zinc/29/48/63/193294863.db2.gz AWDLFQHSLDBZGA-GJZGRUSLSA-N 1 0 304.500 2.464 10 0 DEAERO COC(=O)C(C)(C)COc1c(Cl)cc(C[NH3+])cc1OC ZINC000093714171 193296537 /nfs/dbraw/zinc/29/65/37/193296537.db2.gz ZWVRSKIENNETSP-UHFFFAOYSA-N 1 0 301.770 2.385 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2cc(F)ccc2F)C1 ZINC000093778266 193306047 /nfs/dbraw/zinc/30/60/47/193306047.db2.gz FCCMUELAMPUOOJ-QMTHXVAHSA-N 1 0 300.374 2.443 10 0 DEAERO Cc1cc(C)n2c(CN(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cnc2n1 ZINC000093644360 193281330 /nfs/dbraw/zinc/28/13/30/193281330.db2.gz WVFMVTJDYVVOFN-HIFRSBDPSA-N 1 0 301.438 2.261 10 0 DEAERO CC(C)OCCS(=O)(=O)N(c1ccc(C[NH3+])cc1)C(C)C ZINC000093664742 193286491 /nfs/dbraw/zinc/28/64/91/193286491.db2.gz XZEULQBUVDORLG-UHFFFAOYSA-N 1 0 314.451 2.115 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N(C)CC2CC[NH2+]CC2)c(C)c1 ZINC000094023830 193339554 /nfs/dbraw/zinc/33/95/54/193339554.db2.gz PJXAHLYMUFLVIK-UHFFFAOYSA-N 1 0 310.463 2.232 10 0 DEAERO COCC[NH2+]C[C@](C)(O)Cc1cc(F)cc(Br)c1 ZINC000094004663 193337620 /nfs/dbraw/zinc/33/76/20/193337620.db2.gz OORZQFXMGANUQU-CYBMUJFWSA-N 1 0 320.202 2.118 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2nc3ccccc3s2)C1 ZINC000093849279 193317506 /nfs/dbraw/zinc/31/75/06/193317506.db2.gz WYQPCHNPQQETFG-YMTOWFKASA-N 1 0 307.444 2.384 10 0 DEAERO C[NH2+][C@@]1(CO)CC[C@H](Sc2nc3cc(OC)ccc3[nH]2)C1 ZINC000093860440 193319877 /nfs/dbraw/zinc/31/98/77/193319877.db2.gz GUEVGVJHYIYQGI-NHYWBVRUSA-N 1 0 307.419 2.167 10 0 DEAERO CCC[NH2+][C@]1(CO)CC[C@H](n2cc(Br)cn2)C1 ZINC000093857923 193320067 /nfs/dbraw/zinc/32/00/67/193320067.db2.gz VDPRASQNKUAPHT-NWDGAFQWSA-N 1 0 302.216 2.101 10 0 DEAERO CCN(CC(C)(C)C[NH3+])C(=O)c1ccc(Br)o1 ZINC000093877571 193321886 /nfs/dbraw/zinc/32/18/86/193321886.db2.gz UNQRYJVFZXGBLT-UHFFFAOYSA-N 1 0 303.200 2.489 10 0 DEAERO CCC[NH2+][C@H](Cc1cccc(Cl)c1)[C@@H]1CN(C)CCN1C ZINC000093895948 193325086 /nfs/dbraw/zinc/32/50/86/193325086.db2.gz QCMUFFBXXROKTG-SJORKVTESA-N 1 0 309.885 2.497 10 0 DEAERO CC1(C)CCC[C@@H](CN2CCN(CC(F)(F)F)CC2)[C@@H]1[NH3+] ZINC000094288314 193356032 /nfs/dbraw/zinc/35/60/32/193356032.db2.gz HKWSWHBMOWHZNA-STQMWFEESA-N 1 0 307.404 2.320 10 0 DEAERO CN(CCS(C)(=O)=O)c1cccc(Cl)c1C[NH2+]C1CC1 ZINC000094299220 193357857 /nfs/dbraw/zinc/35/78/57/193357857.db2.gz YMFUYQBFZCWJEJ-UHFFFAOYSA-N 1 0 316.854 2.073 10 0 DEAERO CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N(C)CCS(C)(=O)=O ZINC000094298344 193358066 /nfs/dbraw/zinc/35/80/66/193358066.db2.gz LBFLDXVNJBYFDY-KFWWJZLASA-N 1 0 318.527 2.156 10 0 DEAERO CC1(C)CCCC[C@@H]1NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000094330103 193359302 /nfs/dbraw/zinc/35/93/02/193359302.db2.gz NMNUSHFLSVABKT-AWEZNQCLSA-N 1 0 302.484 2.264 10 0 DEAERO C[C@@H](Oc1c(F)cc(CC[NH3+])cc1F)C(=O)NC(C)(C)C ZINC000094349874 193363783 /nfs/dbraw/zinc/36/37/83/193363783.db2.gz AMCDTKMYXGMQJX-SECBINFHSA-N 1 0 300.349 2.148 10 0 DEAERO CCNC(=O)CCOc1c(F)cc(C[C@@H]([NH3+])CC)cc1F ZINC000094350712 193364611 /nfs/dbraw/zinc/36/46/11/193364611.db2.gz FUFJFWBNTGUPGV-NSHDSACASA-N 1 0 300.349 2.150 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(C(=O)NC)c(Cl)c1)[NH+](C)C ZINC000094032953 193339883 /nfs/dbraw/zinc/33/98/83/193339883.db2.gz BQXCGWUYRUJDBB-ZDUSSCGKSA-N 1 0 311.813 2.368 10 0 DEAERO C[NH2+][C@H](c1cc(Br)ccc1F)[C@H]1CN(C)CCO1 ZINC000094109073 193345714 /nfs/dbraw/zinc/34/57/14/193345714.db2.gz ZNNFNEGSVKNEFB-CHWSQXEVSA-N 1 0 317.202 2.179 10 0 DEAERO CCC([NH3+])(CC)C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000094244156 193354373 /nfs/dbraw/zinc/35/43/73/193354373.db2.gz CEINFFQVYXVLKT-UHFFFAOYSA-N 1 0 307.785 2.377 10 0 DEAERO COc1ccccc1[C@](C)([NH3+])[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094640189 193388911 /nfs/dbraw/zinc/38/89/11/193388911.db2.gz OZZRGJUFWSHNFL-HEHGZKQESA-N 1 0 311.447 2.473 10 0 DEAERO Cc1ccc(O[C@H]2CCC[C@H](S(C)(=O)=O)C2)c(CC[NH3+])c1 ZINC000094643244 193389062 /nfs/dbraw/zinc/38/90/62/193389062.db2.gz OWWCHPMNNYCUDA-GJZGRUSLSA-N 1 0 311.447 2.231 10 0 DEAERO CCC(CC)([C@H]([NH2+]C)[C@H]1CCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC000094650809 193390819 /nfs/dbraw/zinc/39/08/19/193390819.db2.gz DINDZUUQTUKIFU-SOUVJXGZSA-N 1 0 318.527 2.298 10 0 DEAERO C[NH2+]Cc1cc(Br)c(O[C@@H](C)[C@@H](C)O)c(OC)c1 ZINC000094653062 193391052 /nfs/dbraw/zinc/39/10/52/193391052.db2.gz UAAPAJYOHVNDRP-BDAKNGLRSA-N 1 0 318.211 2.325 10 0 DEAERO COc1cc(C[NH3+])cc(Br)c1O[C@H](C)[C@@H](C)O ZINC000094653056 193391087 /nfs/dbraw/zinc/39/10/87/193391087.db2.gz UGQMLMPJVJXOCU-HTQZYQBOSA-N 1 0 304.184 2.065 10 0 DEAERO NC(=S)C1CC[NH+]([C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094376127 193367151 /nfs/dbraw/zinc/36/71/51/193367151.db2.gz YCVIXMGOHUBAHY-ZDUSSCGKSA-N 1 0 314.520 2.429 10 0 DEAERO CC(C)C[N@H+](CCC(N)=S)[C@H]1CCOC2(CCOCC2)C1 ZINC000094375945 193367194 /nfs/dbraw/zinc/36/71/94/193367194.db2.gz WKRWNAJBKPMBMI-AWEZNQCLSA-N 1 0 314.495 2.349 10 0 DEAERO CC(C)C[NH2+]Cc1ncnn1[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000094412859 193369122 /nfs/dbraw/zinc/36/91/22/193369122.db2.gz UKNGFLRGWCTHFT-ZFWWWQNUSA-N 1 0 310.467 2.251 10 0 DEAERO CCOC(=O)[C@]1(NCC[NH+](CC)CC)CCCS[C@H]1C ZINC000094479801 193372825 /nfs/dbraw/zinc/37/28/25/193372825.db2.gz QPBOANDXGQXIIY-ZFWWWQNUSA-N 1 0 302.484 2.135 10 0 DEAERO COc1ccc(Cn2cnc(CC[NH3+])c2)cc1Br ZINC000094529502 193376736 /nfs/dbraw/zinc/37/67/36/193376736.db2.gz QPOMRPPJWYGZHQ-UHFFFAOYSA-N 1 0 310.195 2.204 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2cc(F)ccc2Br)C1 ZINC000094548859 193378902 /nfs/dbraw/zinc/37/89/02/193378902.db2.gz AHJQGHRJKWYKHO-WPRPVWTQSA-N 1 0 315.186 2.398 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(Br)cc2F)C1 ZINC000094549380 193378958 /nfs/dbraw/zinc/37/89/58/193378958.db2.gz PJLDWBYKMBGQMM-PSASIEDQSA-N 1 0 315.186 2.398 10 0 DEAERO Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C[NH3+])O2)c(Br)c1 ZINC000094562720 193380319 /nfs/dbraw/zinc/38/03/19/193380319.db2.gz JCRVORNUHLLVEU-CABZTGNLSA-N 1 0 313.195 2.202 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)O1 ZINC000094570375 193380665 /nfs/dbraw/zinc/38/06/65/193380665.db2.gz LGQVJTJXROJAGZ-GZMMTYOYSA-N 1 0 320.723 2.386 10 0 DEAERO COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(C[NH3+])o1 ZINC000094565997 193380941 /nfs/dbraw/zinc/38/09/41/193380941.db2.gz INWOYDMZUSDUCA-UHFFFAOYSA-N 1 0 308.721 2.431 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2Br)O1 ZINC000094564930 193380969 /nfs/dbraw/zinc/38/09/69/193380969.db2.gz RPLOJEFNQHTAFQ-KCJUWKMLSA-N 1 0 317.158 2.033 10 0 DEAERO C[NH+]1CCC(NC(=O)c2cc(C(F)(F)F)ccc2N)CC1 ZINC000094595615 193381836 /nfs/dbraw/zinc/38/18/36/193381836.db2.gz NEROFZRQSSQASB-UHFFFAOYSA-N 1 0 301.312 2.112 10 0 DEAERO C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(F)(F)F)c2N)C1 ZINC000094598675 193383460 /nfs/dbraw/zinc/38/34/60/193383460.db2.gz KYZCCEOBPWMZMR-VIFPVBQESA-N 1 0 301.312 2.112 10 0 DEAERO C[C@H](C[NH+]1CCCC1)Nc1nc2c(Br)cccn2n1 ZINC000094604224 193384221 /nfs/dbraw/zinc/38/42/21/193384221.db2.gz JRWIIGOHJHRGOC-SNVBAGLBSA-N 1 0 324.226 2.388 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1nc2ccc(Br)cn2n1 ZINC000094608830 193384558 /nfs/dbraw/zinc/38/45/58/193384558.db2.gz SJPGLVYGMSWWOX-GXSJLCMTSA-N 1 0 324.226 2.421 10 0 DEAERO C[C@H](Nc1nc2c(Br)cccn2n1)[C@H]1CCC[NH2+]C1 ZINC000094607719 193384705 /nfs/dbraw/zinc/38/47/05/193384705.db2.gz KOOIBNHDFHMYPF-UWVGGRQHSA-N 1 0 324.226 2.292 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N1CCN(C)C(=O)C1(C)C ZINC000094865695 193403030 /nfs/dbraw/zinc/40/30/30/193403030.db2.gz VQEUBHCQXBCHLK-TZMCWYRMSA-N 1 0 309.479 2.388 10 0 DEAERO [NH3+]CCc1nnc(-c2c(F)cc(Br)cc2F)o1 ZINC000094717484 193393759 /nfs/dbraw/zinc/39/37/59/193393759.db2.gz VAFBKTIGIIOWKQ-UHFFFAOYSA-N 1 0 304.094 2.279 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH3+])[C@]1(C)CCCO1 ZINC000094782581 193397722 /nfs/dbraw/zinc/39/77/22/193397722.db2.gz BIUIZCAKXHOUJT-AAEUAGOBSA-N 1 0 316.243 2.413 10 0 DEAERO COCC[NH2+]Cc1c(N2CCC(C)(C)C2)nc2sccn12 ZINC000094806106 193399036 /nfs/dbraw/zinc/39/90/36/193399036.db2.gz NUWKBTKLVOITMM-UHFFFAOYSA-N 1 0 308.451 2.368 10 0 DEAERO Cc1ccc(CC[NH2+]Cc2c(Br)cnn2C)nc1 ZINC000453596722 245212843 /nfs/dbraw/zinc/21/28/43/245212843.db2.gz GPZBETPTKFGLCE-UHFFFAOYSA-N 1 0 309.211 2.218 10 0 DEAERO O=C(Nc1nnc(-c2ccco2)s1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000264748546 204123874 /nfs/dbraw/zinc/12/38/74/204123874.db2.gz RAVUMLANBGTNJR-SNVBAGLBSA-N 1 0 319.390 2.110 10 0 DEAERO C[C@@H](CNC(=O)NCc1ccccc1OC(F)(F)F)[NH+](C)C ZINC000454159590 245478038 /nfs/dbraw/zinc/47/80/38/245478038.db2.gz JURCUQIKCNXQFY-JTQLQIEISA-N 1 0 319.327 2.335 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)[C@@H]1CCSC1 ZINC000097278822 193703616 /nfs/dbraw/zinc/70/36/16/193703616.db2.gz AWLOVAHRKYNCDH-ZJUUUORDSA-N 1 0 318.284 2.375 10 0 DEAERO O=C(N[C@H]1CCc2c1cccc2O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000266161534 205148551 /nfs/dbraw/zinc/14/85/51/205148551.db2.gz ZWFLDMYTIVREHS-CJNGLKHVSA-N 1 0 315.417 2.259 10 0 DEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)CSc1ccc(C)cc1 ZINC000097332459 193708596 /nfs/dbraw/zinc/70/85/96/193708596.db2.gz RYRIYXCLWCKYSX-ZDUSSCGKSA-N 1 0 301.477 2.500 10 0 DEAERO O=C(c1ccc(I)cc1)[C@H]1CCC[NH2+]C1 ZINC000019414781 182122405 /nfs/dbraw/zinc/12/24/05/182122405.db2.gz GOLVBXACSKZJKV-JTQLQIEISA-N 1 0 315.154 2.474 10 0 DEAERO CCn1ncc(Br)c1[C@H]([NH2+]C)C1CCOCC1 ZINC000160347259 197402400 /nfs/dbraw/zinc/40/24/00/197402400.db2.gz NVVFKWMAROYNID-LLVKDONJSA-N 1 0 302.216 2.353 10 0 DEAERO [NH3+]C[C@@H](c1ccccc1F)N1CCN(c2nccs2)CC1 ZINC000019990098 182174361 /nfs/dbraw/zinc/17/43/61/182174361.db2.gz SMYQBGZLGWOAAV-AWEZNQCLSA-N 1 0 306.410 2.104 10 0 DEAERO COC(C)(C)C[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000160253947 197395833 /nfs/dbraw/zinc/39/58/33/197395833.db2.gz ROIVLVOUTYGVRG-UHFFFAOYSA-N 1 0 315.211 2.402 10 0 DEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N1CCc2ccccc21 ZINC000020189506 182195510 /nfs/dbraw/zinc/19/55/10/182195510.db2.gz LOBZSLBQMCELJE-UHFFFAOYSA-N 1 0 302.399 2.205 10 0 DEAERO [NH3+]C[C@H]1CCN(c2ccccc2I)C1 ZINC000020480299 182222178 /nfs/dbraw/zinc/22/21/78/182222178.db2.gz QWNFSMFFFDGJCQ-SECBINFHSA-N 1 0 302.159 2.076 10 0 DEAERO CCOc1ccc(NS(=O)(=O)c2cccc(C[NH3+])c2)cc1 ZINC000020551900 182230943 /nfs/dbraw/zinc/23/09/43/182230943.db2.gz PUVXRVGPZLKTLJ-UHFFFAOYSA-N 1 0 306.387 2.345 10 0 DEAERO [NH3+][C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000097896630 193766132 /nfs/dbraw/zinc/76/61/32/193766132.db2.gz HRHUSOXWEYQFBI-QWRGUYRKSA-N 1 0 306.790 2.027 10 0 DEAERO [NH3+]CC(=O)Nc1ccc(Br)cc1Br ZINC000034979715 182746230 /nfs/dbraw/zinc/74/62/30/182746230.db2.gz MYPBQRQQKABGEZ-UHFFFAOYSA-N 1 0 307.973 2.109 10 0 DEAERO COc1cc(C[NH3+])cc(Br)c1O[C@@H]1CCC[C@@H]1O ZINC000037711743 182919263 /nfs/dbraw/zinc/91/92/63/182919263.db2.gz BWIRPHURRHPUBQ-WDEREUQCSA-N 1 0 316.195 2.209 10 0 DEAERO O=C([C@H]1CCC[NH2+]C1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000037801376 182927250 /nfs/dbraw/zinc/92/72/50/182927250.db2.gz AHIIEWXDMQYTEV-KBPBESRZSA-N 1 0 308.447 2.255 10 0 DEAERO COc1cccc(C[NH2+][C@H]2CCCN(C)C2)c1OC(F)F ZINC000040672773 183115996 /nfs/dbraw/zinc/11/59/96/183115996.db2.gz BAJLYUNCFOVLRH-LBPRGKRZSA-N 1 0 300.349 2.480 10 0 DEAERO CC(C)C[C@H](CO)[NH2+]C[C@@H](O)COc1cccc(Cl)c1 ZINC000040776930 183132484 /nfs/dbraw/zinc/13/24/84/183132484.db2.gz PHAALGXWVSRNQS-ZIAGYGMSSA-N 1 0 301.814 2.076 10 0 DEAERO CC(C)C[C@H](CO)[NH2+]Cc1ccc(I)o1 ZINC000040775836 183132614 /nfs/dbraw/zinc/13/26/14/183132614.db2.gz BWWJQTDMXCSDCO-SECBINFHSA-N 1 0 323.174 2.381 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000040858924 183143106 /nfs/dbraw/zinc/14/31/06/183143106.db2.gz FWNXOGIGSVIFIP-OAHLLOKOSA-N 1 0 310.419 2.479 10 0 DEAERO COC(=O)c1c(NC(=O)CCCCC[NH3+])sc2c1CCC2 ZINC000040858841 183143201 /nfs/dbraw/zinc/14/32/01/183143201.db2.gz CNERSMHULYLSED-UHFFFAOYSA-N 1 0 310.419 2.481 10 0 DEAERO CSc1ccccc1NC(=O)CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750041 183128773 /nfs/dbraw/zinc/12/87/73/183128773.db2.gz LROAZPHXCCPMDX-YHWZYXNKSA-N 1 0 305.447 2.301 10 0 DEAERO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749337 183129083 /nfs/dbraw/zinc/12/90/83/183129083.db2.gz JDRJIGYCCDXGIV-JZIBPQBNSA-N 1 0 308.447 2.105 10 0 DEAERO CN1CCC([N@H+](C)CCCCCNC(=O)c2ccco2)CC1 ZINC000041564537 183203103 /nfs/dbraw/zinc/20/31/03/183203103.db2.gz NTHZPVNICOPWEI-UHFFFAOYSA-N 1 0 307.438 2.206 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000041604145 183209685 /nfs/dbraw/zinc/20/96/85/183209685.db2.gz UVAGMXIRAGEUFQ-LLVKDONJSA-N 1 0 311.813 2.125 10 0 DEAERO CN(C)C(=O)c1ccc(Cl)c(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000042166406 183237973 /nfs/dbraw/zinc/23/79/73/183237973.db2.gz HWROJSBODLKEGU-NSHDSACASA-N 1 0 309.797 2.122 10 0 DEAERO CN(C)C(=O)c1ccc(Cl)c(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000042166407 183238324 /nfs/dbraw/zinc/23/83/24/183238324.db2.gz HWROJSBODLKEGU-LLVKDONJSA-N 1 0 309.797 2.122 10 0 DEAERO CC(C)OCCOC[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1 ZINC000042258253 183247574 /nfs/dbraw/zinc/24/75/74/183247574.db2.gz VUDPFKUKRXQEDM-INIZCTEOSA-N 1 0 315.841 2.275 10 0 DEAERO Nc1cccc(Br)c1CN1CC[NH+](C2CC2)CC1 ZINC000042489558 183276398 /nfs/dbraw/zinc/27/63/98/183276398.db2.gz LUPGBDUWSJLJPL-UHFFFAOYSA-N 1 0 310.239 2.311 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](CN(C)Cc2csc(Br)c2)C1 ZINC000042365882 183259910 /nfs/dbraw/zinc/25/99/10/183259910.db2.gz AUOMOXUXIYCYSR-QWRGUYRKSA-N 1 0 319.268 2.319 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2F)C1 ZINC000042374824 183260657 /nfs/dbraw/zinc/26/06/57/183260657.db2.gz RJRKIUSAMOIPFP-VIFPVBQESA-N 1 0 301.159 2.022 10 0 DEAERO CC[C@@H](C)N(CCOC)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000042593847 183289402 /nfs/dbraw/zinc/28/94/02/183289402.db2.gz WMQQVIKRVDJDTH-CHWSQXEVSA-N 1 0 314.451 2.142 10 0 DEAERO CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000042768580 183306678 /nfs/dbraw/zinc/30/66/78/183306678.db2.gz SCNATTIBDNKTOV-UHFFFAOYSA-N 1 0 310.341 2.108 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCN(C(C)=O)CC1 ZINC000042944508 183319552 /nfs/dbraw/zinc/31/95/52/183319552.db2.gz ATNXCCLUKLXFPZ-HOTGVXAUSA-N 1 0 309.841 2.283 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1ccc(F)cc1 ZINC000042944042 183320033 /nfs/dbraw/zinc/32/00/33/183320033.db2.gz YZCCEOGMIXSIOA-GXFFZTMASA-N 1 0 307.398 2.351 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(F)cc1 ZINC000042944073 183320174 /nfs/dbraw/zinc/32/01/74/183320174.db2.gz ILSFYVAMNTUNGK-MFKMUULPSA-N 1 0 308.382 2.062 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CCO)C1CC1 ZINC000042955249 183322438 /nfs/dbraw/zinc/32/24/38/183322438.db2.gz XFXYQNWGWOOAII-HZMBPMFUSA-N 1 0 313.239 2.294 10 0 DEAERO Cc1cccc([C@@H](C[NH3+])Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000042969280 183324533 /nfs/dbraw/zinc/32/45/33/183324533.db2.gz DDJIVHNBPBHCHJ-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO CS(=O)(=O)c1ccc(O[C@H](C[NH3+])c2cccc(F)c2)cc1 ZINC000042974198 183325371 /nfs/dbraw/zinc/32/53/71/183325371.db2.gz BHLKFSFPVZLEAH-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO CCCN(CC(F)(F)F)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000042781313 183308593 /nfs/dbraw/zinc/30/85/93/183308593.db2.gz XRNHGHIRDGVNCA-LLVKDONJSA-N 1 0 316.389 2.123 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCN(C(C)=O)CC1 ZINC000043251971 183347393 /nfs/dbraw/zinc/34/73/93/183347393.db2.gz TZJQRBZTEUBRAO-SMDDNHRTSA-N 1 0 315.870 2.344 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCC[C@@H]1C(=O)NC ZINC000043253672 183347704 /nfs/dbraw/zinc/34/77/04/183347704.db2.gz UDTGBUHUTMPTKL-GIPNMCIBSA-N 1 0 315.870 2.390 10 0 DEAERO CC(C)CN(CC(N)=O)[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043254172 183348407 /nfs/dbraw/zinc/34/84/07/183348407.db2.gz WAGYRESECDJENC-NOZJJQNGSA-N 1 0 303.859 2.233 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CCO ZINC000043286212 183350470 /nfs/dbraw/zinc/35/04/70/183350470.db2.gz FPXBEPDZUKUKFS-ONGXEEELSA-N 1 0 307.257 2.213 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)n1cncn1 ZINC000043287842 183351111 /nfs/dbraw/zinc/35/11/11/183351111.db2.gz MZJOYSWIRIBHMQ-PSASIEDQSA-N 1 0 301.213 2.429 10 0 DEAERO COc1ccc2cc([C@@H]([NH3+])[C@@H]3CCS(=O)(=O)C3)ccc2c1 ZINC000043299894 183351546 /nfs/dbraw/zinc/35/15/46/183351546.db2.gz RSBUXWTYMDOQNO-GDBMZVCRSA-N 1 0 305.399 2.283 10 0 DEAERO CC[NH2+][C@@H](c1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000043300991 183352222 /nfs/dbraw/zinc/35/22/22/183352222.db2.gz FXBAYXMNLLMVBH-GXFFZTMASA-N 1 0 319.373 2.373 10 0 DEAERO C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300514 183352626 /nfs/dbraw/zinc/35/26/26/183352626.db2.gz UHZAGXBXDXEPGJ-JQWIXIFHSA-N 1 0 307.337 2.401 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1nnnn1-c1ccccc1)c1ccco1 ZINC000043338295 183355615 /nfs/dbraw/zinc/35/56/15/183355615.db2.gz ZQGUFSQDSRCYSR-GXFFZTMASA-N 1 0 301.375 2.436 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N1CCC[C@@H]1CO ZINC000043092529 183336119 /nfs/dbraw/zinc/33/61/19/183336119.db2.gz UONQVLVJYBOGAZ-GYSYKLTISA-N 1 0 313.239 2.294 10 0 DEAERO C[NH2+]Cc1cc(Br)ccc1OCC(=O)OC(C)C ZINC000043445954 183363972 /nfs/dbraw/zinc/36/39/72/183363972.db2.gz PARDNZYAEFIBJX-UHFFFAOYSA-N 1 0 316.195 2.499 10 0 DEAERO NC(=O)c1ccc(Cl)c(NC(=O)CC[C@H]2CCC[NH2+]C2)c1 ZINC000043588530 183374036 /nfs/dbraw/zinc/37/40/36/183374036.db2.gz SZIGDTUNKCTVEF-SNVBAGLBSA-N 1 0 309.797 2.157 10 0 DEAERO COC(=O)[C@@H](C)Oc1c(Cl)cc(C[C@H](C)[NH3+])cc1OC ZINC000043631079 183376297 /nfs/dbraw/zinc/37/62/97/183376297.db2.gz OCUNDPGIPWYGIS-DTWKUNHWSA-N 1 0 301.770 2.179 10 0 DEAERO [NH3+]CCc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)s1 ZINC000044677609 183431694 /nfs/dbraw/zinc/43/16/94/183431694.db2.gz MVVUVPDBIZOEEQ-KGLIPLIRSA-N 1 0 322.455 2.084 10 0 DEAERO CC(C)[NH2+][C@](C)(CCCC[N@H+](C)C[C@@H]1CCCO1)C(=O)[O-] ZINC000045422726 183505573 /nfs/dbraw/zinc/50/55/73/183505573.db2.gz AWRYZSAPJQQTOU-GOEBONIOSA-N 1 0 300.443 2.109 10 0 DEAERO CCCN(CCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC(F)(F)F ZINC000045420844 183506081 /nfs/dbraw/zinc/50/60/81/183506081.db2.gz YIOVDGJQJAOIDR-CYBMUJFWSA-N 1 0 311.392 2.283 10 0 DEAERO CCOc1ccc(OC)cc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000105044232 194067003 /nfs/dbraw/zinc/06/70/03/194067003.db2.gz REHFKKXJAVCGBL-GFCCVEGCSA-N 1 0 307.394 2.262 10 0 DEAERO CCn1cc(C[N@@H+]2CCCN(c3nc(C)cnc3C)CC2)cn1 ZINC000273919047 211173617 /nfs/dbraw/zinc/17/36/17/211173617.db2.gz ZGOUJEPESCZSDQ-UHFFFAOYSA-N 1 0 314.437 2.022 10 0 DEAERO O=C(NCc1ccc(Cl)nc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105161717 194081279 /nfs/dbraw/zinc/08/12/79/194081279.db2.gz JBPYCSFBVLWESU-CYBMUJFWSA-N 1 0 308.813 2.115 10 0 DEAERO O=C(NCc1cc(F)ccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105285213 194092270 /nfs/dbraw/zinc/09/22/70/194092270.db2.gz LINLGXOJLWDSJZ-AWEZNQCLSA-N 1 0 309.360 2.345 10 0 DEAERO CCOc1ccccc1NC(=O)[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000105881482 194155738 /nfs/dbraw/zinc/15/57/38/194155738.db2.gz REKOPGSQAVFOLY-AWEZNQCLSA-N 1 0 316.405 2.207 10 0 DEAERO COc1ccc(OCC[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000105898053 194163356 /nfs/dbraw/zinc/16/33/56/194163356.db2.gz FJSDHCOBLKUDNU-AWEZNQCLSA-N 1 0 302.378 2.003 10 0 DEAERO CC[C@H]1CN(Cc2ccc3c(c2)OCCO3)CC[N@@H+]1CCOC ZINC000106113001 194188276 /nfs/dbraw/zinc/18/82/76/194188276.db2.gz MJOUOGGHBSGQOG-INIZCTEOSA-N 1 0 320.433 2.000 10 0 DEAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049129404 183714253 /nfs/dbraw/zinc/71/42/53/183714253.db2.gz FYLFDKPYFNOEST-HTQZYQBOSA-N 1 0 303.815 2.286 10 0 DEAERO C[C@H]([NH3+])Cc1cc(Cl)ccc1OCC(=O)NCC(F)(F)F ZINC000049310290 183724850 /nfs/dbraw/zinc/72/48/50/183724850.db2.gz KICCAFLDEOBROG-QMMMGPOBSA-N 1 0 324.730 2.287 10 0 DEAERO C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106789571 194253142 /nfs/dbraw/zinc/25/31/42/194253142.db2.gz NSGSWJGBSAZQCT-UXLLHSPISA-N 1 0 324.465 2.094 10 0 DEAERO COC(=O)CC[N@H+](C)CCOc1cccc(Br)c1 ZINC000050068121 183771334 /nfs/dbraw/zinc/77/13/34/183771334.db2.gz SABMIWBCZYSXAH-UHFFFAOYSA-N 1 0 316.195 2.323 10 0 DEAERO CCCN(C(CC)(CC)C[NH3+])S(=O)(=O)N1CCCC[C@@H]1C ZINC000050093757 183772786 /nfs/dbraw/zinc/77/27/86/183772786.db2.gz BRFBMCUYCNHCGV-AWEZNQCLSA-N 1 0 319.515 2.335 10 0 DEAERO NC(=O)c1ccc(Cl)c(NC(=O)CCC2CC[NH2+]CC2)c1 ZINC000050943716 183808667 /nfs/dbraw/zinc/80/86/67/183808667.db2.gz TUWNOTJVURCUJZ-UHFFFAOYSA-N 1 0 309.797 2.157 10 0 DEAERO CC[C@@H](C(N)=S)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000109471531 194266735 /nfs/dbraw/zinc/26/67/35/194266735.db2.gz CFSYPGFKTFCWTO-LBPRGKRZSA-N 1 0 304.419 2.015 10 0 DEAERO Cc1cccc(CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)n1 ZINC000052553730 183863760 /nfs/dbraw/zinc/86/37/60/183863760.db2.gz LCEYPRKPKPQSGL-AWEZNQCLSA-N 1 0 304.438 2.311 10 0 DEAERO CC(C)[NH2+]C[C@H]1CC[C@@H](Cn2cc(Br)cn2)O1 ZINC000052577573 183865220 /nfs/dbraw/zinc/86/52/20/183865220.db2.gz LCWNMYHQYCEIJO-NEPJUHHUSA-N 1 0 302.216 2.191 10 0 DEAERO CC(C)(C)[NH2+]C[C@@H](Cc1cscn1)[C@@H]1CCS(=O)(=O)C1 ZINC000052952073 183881854 /nfs/dbraw/zinc/88/18/54/183881854.db2.gz ILQYHBRZBUBPQS-VXGBXAGGSA-N 1 0 316.492 2.125 10 0 DEAERO CC(C)C[NH2+]C[C@H](CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000052952234 183882233 /nfs/dbraw/zinc/88/22/33/183882233.db2.gz KCPWQLRBSXRTGL-CVEARBPZSA-N 1 0 317.495 2.100 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(c2nc(C)cc(C)c2C(N)=S)C1 ZINC000110278427 194319195 /nfs/dbraw/zinc/31/91/95/194319195.db2.gz MZMXMRFQRSNPSO-ZDUSSCGKSA-N 1 0 306.479 2.253 10 0 DEAERO C[C@H]1CCC[C@H]([NH2+]CCN2CCN(c3nccs3)CC2)C1 ZINC000053345439 183899316 /nfs/dbraw/zinc/89/93/16/183899316.db2.gz CXKPLLSDAVYFSE-GJZGRUSLSA-N 1 0 308.495 2.433 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)C2(C(N)=S)CCCCC2)C1 ZINC000110272591 194318924 /nfs/dbraw/zinc/31/89/24/194318924.db2.gz BZJOVFNRSGHBQY-CYBMUJFWSA-N 1 0 311.495 2.166 10 0 DEAERO COC[C@@H](C)N(C)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1Cl ZINC000110829196 194362015 /nfs/dbraw/zinc/36/20/15/194362015.db2.gz KBGHBQZRKDTWIH-PWSUYJOCSA-N 1 0 316.829 2.324 10 0 DEAERO Cc1nc([C@@]2([NH3+])CCc3cc(Br)ccc3C2)no1 ZINC000110831217 194362999 /nfs/dbraw/zinc/36/29/99/194362999.db2.gz FINQZUFEDHCVNL-CYBMUJFWSA-N 1 0 308.179 2.483 10 0 DEAERO Nc1nc2cc(Br)ccc2n1CC[NH+]1CCCC1 ZINC000054129574 183925772 /nfs/dbraw/zinc/92/57/72/183925772.db2.gz GSYCIYRSRDYGOC-UHFFFAOYSA-N 1 0 309.211 2.477 10 0 DEAERO CN(c1ccccc1S(=O)(=O)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000110932516 194371117 /nfs/dbraw/zinc/37/11/17/194371117.db2.gz VATCGHMOCYKZQP-SNVBAGLBSA-N 1 0 322.352 2.168 10 0 DEAERO Cc1sc2nc(CN(C)[C@@H]3CCC[NH2+]C3)nc(N)c2c1C ZINC000110930629 194371246 /nfs/dbraw/zinc/37/12/46/194371246.db2.gz XOCOZEXASAIVGT-LLVKDONJSA-N 1 0 305.451 2.074 10 0 DEAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(C)cc(C)c1 ZINC000110942106 194371981 /nfs/dbraw/zinc/37/19/81/194371981.db2.gz OOPQSHMEBXFFCO-HNNXBMFYSA-N 1 0 310.463 2.456 10 0 DEAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccccc1Cl ZINC000110942186 194372755 /nfs/dbraw/zinc/37/27/55/194372755.db2.gz SQGVAJRMSFHUKO-GFCCVEGCSA-N 1 0 316.854 2.493 10 0 DEAERO CCCN(c1ccccc1S(=O)(=O)CC)[C@H]1CCC[NH2+]C1 ZINC000110948648 194372967 /nfs/dbraw/zinc/37/29/67/194372967.db2.gz HYITYTAPTOMRET-AWEZNQCLSA-N 1 0 310.463 2.449 10 0 DEAERO [NH3+]CCCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000111042042 194386666 /nfs/dbraw/zinc/38/66/66/194386666.db2.gz ZXVWGRNJPOZUMH-UHFFFAOYSA-N 1 0 316.732 2.449 10 0 DEAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NC2CC2)cc1 ZINC000057880047 184060705 /nfs/dbraw/zinc/06/07/05/184060705.db2.gz VMDLMTIATAPBAG-GFCCVEGCSA-N 1 0 303.406 2.449 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1c(C)nn2c1nc(C)cc2C ZINC000058841387 184129709 /nfs/dbraw/zinc/12/97/09/184129709.db2.gz MDZMSQCWVHGKRK-ZDUSSCGKSA-N 1 0 317.437 2.115 10 0 DEAERO O=C(c1cc(Br)c[nH]1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000060079292 184143758 /nfs/dbraw/zinc/14/37/58/184143758.db2.gz ULZQDMLLFMPPKP-NSHDSACASA-N 1 0 312.211 2.088 10 0 DEAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1cc(F)ccc1F ZINC000061040956 184160321 /nfs/dbraw/zinc/16/03/21/184160321.db2.gz HEXDSCBMUFWAHD-UHFFFAOYSA-N 1 0 309.360 2.073 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000061233150 184166550 /nfs/dbraw/zinc/16/65/50/184166550.db2.gz RMTWOGSCQIYXTP-JTQLQIEISA-N 1 0 307.785 2.105 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(OC)ccc1OC(F)F ZINC000061232124 184166675 /nfs/dbraw/zinc/16/66/75/184166675.db2.gz OHPZRJYORIMMRE-VIFPVBQESA-N 1 0 302.321 2.481 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000061290292 184167751 /nfs/dbraw/zinc/16/77/51/184167751.db2.gz CGSYTAMUNJDDPW-GHMZBOCLSA-N 1 0 310.360 2.381 10 0 DEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(Br)ccc1OC ZINC000061318912 184168122 /nfs/dbraw/zinc/16/81/22/184168122.db2.gz VEZUCEPGVRLMQC-UHFFFAOYSA-N 1 0 301.184 2.394 10 0 DEAERO O=C(c1ccc(Br)cn1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000061864079 184190509 /nfs/dbraw/zinc/19/05/09/184190509.db2.gz BJTMCLYVEHQUCD-WCQYABFASA-N 1 0 324.222 2.201 10 0 DEAERO C[NH+](C)CC(C)(C)CNc1nc(Cl)nc(N2CCCC2)n1 ZINC000061536357 184172585 /nfs/dbraw/zinc/17/25/85/184172585.db2.gz QPMORBLLRZCEFV-UHFFFAOYSA-N 1 0 312.849 2.125 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNc1nc(Cl)nc(N2CCCC2)n1 ZINC000061536830 184172940 /nfs/dbraw/zinc/17/29/40/184172940.db2.gz TYELIWAISRTCQW-LLVKDONJSA-N 1 0 310.833 2.021 10 0 DEAERO [NH3+]C[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1Cl ZINC000061594651 184176178 /nfs/dbraw/zinc/17/61/78/184176178.db2.gz QHBSPTDXXQGRJL-NSHDSACASA-N 1 0 310.810 2.352 10 0 DEAERO CC(C)[C@@H](CNC(=O)c1ccc(Br)cn1)[NH+](C)C ZINC000061874350 184191567 /nfs/dbraw/zinc/19/15/67/184191567.db2.gz RKSZCFIGPIJVCA-GFCCVEGCSA-N 1 0 314.227 2.160 10 0 DEAERO C[C@@H](CCNS(=O)(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000061911513 184194516 /nfs/dbraw/zinc/19/45/16/184194516.db2.gz CJYFFXGVLVRAQZ-LSDHHAIUSA-N 1 0 310.463 2.099 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1cccs1)N1CCN(CC(F)(F)F)CC1 ZINC000061940829 184197242 /nfs/dbraw/zinc/19/72/42/184197242.db2.gz PXQFQVPOAMDEKF-PWSUYJOCSA-N 1 0 307.385 2.316 10 0 DEAERO Cc1ccc([C@H]([NH3+])CN2CCN(CC(F)(F)F)CC2)cc1 ZINC000061941116 184197415 /nfs/dbraw/zinc/19/74/15/184197415.db2.gz FCSAHLKJVXHVQF-CQSZACIVSA-N 1 0 301.356 2.175 10 0 DEAERO C[C@]([NH3+])(CN1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000061948064 184198009 /nfs/dbraw/zinc/19/80/09/184198009.db2.gz XKIMTCGZGBHUKL-AWEZNQCLSA-N 1 0 301.356 2.040 10 0 DEAERO CCc1nc(N2CCN(CC(F)(F)F)CC2)sc1C[NH2+]C ZINC000061948577 184198427 /nfs/dbraw/zinc/19/84/27/184198427.db2.gz KSGPRPDKMBQGFJ-UHFFFAOYSA-N 1 0 322.400 2.109 10 0 DEAERO C[N@H+](CCNCc1ccc(I)o1)C1CC1 ZINC000061994416 184200735 /nfs/dbraw/zinc/20/07/35/184200735.db2.gz NAGXMMXOHCKJOZ-UHFFFAOYSA-N 1 0 320.174 2.068 10 0 DEAERO CNc1ccc(Cl)c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000062069782 184204340 /nfs/dbraw/zinc/20/43/40/184204340.db2.gz FAAORHLXWXDVRT-LLVKDONJSA-N 1 0 310.829 2.238 10 0 DEAERO C[C@@H](CN1C(=S)N=NC1c1ccncc1)C[NH+]1CCCC1 ZINC000062079512 184204623 /nfs/dbraw/zinc/20/46/23/184204623.db2.gz VNGIUYGXONSRKY-GFCCVEGCSA-N 1 0 303.435 2.361 10 0 DEAERO CCCC(CCC)(C(N)=S)C(=O)NCCC[NH+]1CCCC1 ZINC000062080012 184205022 /nfs/dbraw/zinc/20/50/22/184205022.db2.gz VUDRRZKRDBECBD-UHFFFAOYSA-N 1 0 313.511 2.461 10 0 DEAERO Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)N2CCOC[C@@H]2C)c1 ZINC000062509676 184240887 /nfs/dbraw/zinc/24/08/87/184240887.db2.gz WPKZSTAJIYSJSQ-DOTOQJQBSA-N 1 0 302.418 2.207 10 0 DEAERO CC[NH2+][C@H]1CCCc2nc(N3CCn4ccnc4C3)sc21 ZINC000062327757 184231245 /nfs/dbraw/zinc/23/12/45/184231245.db2.gz XYHUSIVOJVJNBB-NSHDSACASA-N 1 0 303.435 2.347 10 0 DEAERO CCC1(C)CCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)CC1 ZINC000062955451 184262226 /nfs/dbraw/zinc/26/22/26/184262226.db2.gz HKZUSDFAIUMONM-UHFFFAOYSA-N 1 0 310.463 2.487 10 0 DEAERO Fc1ccc(-c2noc(CN3CCC[NH2+]CC3)n2)cc1Cl ZINC000062790859 184253064 /nfs/dbraw/zinc/25/30/64/184253064.db2.gz RRZCJEWSEBICNL-UHFFFAOYSA-N 1 0 310.760 2.324 10 0 DEAERO CCC[C@@]1(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC[NH2+]C1 ZINC000062893754 184258784 /nfs/dbraw/zinc/25/87/84/184258784.db2.gz BKWWOZRGEZMQSG-OAHLLOKOSA-N 1 0 309.797 2.157 10 0 DEAERO CC(C)[NH2+][C@@H](CCSc1ccc(C(F)(F)F)cn1)C(N)=O ZINC000062599066 184244736 /nfs/dbraw/zinc/24/47/36/184244736.db2.gz DORWLXDRGQRELP-JTQLQIEISA-N 1 0 321.368 2.435 10 0 DEAERO C[NH2+]Cc1ccc(OCc2nccn2C)c(Br)c1 ZINC000062700789 184247671 /nfs/dbraw/zinc/24/76/71/184247671.db2.gz NRODQMRTDQKMCL-UHFFFAOYSA-N 1 0 310.195 2.481 10 0 DEAERO Cc1noc(COc2ccc(CC[NH3+])cc2Br)n1 ZINC000062703799 184248020 /nfs/dbraw/zinc/24/80/20/184248020.db2.gz CQUVVFYMJPAXFG-UHFFFAOYSA-N 1 0 312.167 2.221 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000063213081 184278332 /nfs/dbraw/zinc/27/83/32/184278332.db2.gz LXQCWGAEQGTUKB-HZPDHXFCSA-N 1 0 308.447 2.114 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2[NH3+])c(C)s1 ZINC000063213379 184278467 /nfs/dbraw/zinc/27/84/67/184278467.db2.gz PZSHTXLLDHEBBE-RYUDHWBXSA-N 1 0 302.465 2.303 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1cncc(Br)c1 ZINC000063211471 184278531 /nfs/dbraw/zinc/27/85/31/184278531.db2.gz YOSHMDUSAUITQV-VXGBXAGGSA-N 1 0 312.211 2.234 10 0 DEAERO CCCN(CCCS(C)(=O)=O)C1(C[NH3+])CCC(CC)CC1 ZINC000063014592 184266657 /nfs/dbraw/zinc/26/66/57/184266657.db2.gz ZHKJJBNJCUTEIJ-UHFFFAOYSA-N 1 0 318.527 2.431 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(C)c(OCCCS(C)(=O)=O)c(C)c1 ZINC000063017531 184267141 /nfs/dbraw/zinc/26/71/41/184267141.db2.gz LEWVZTOWGJLKTR-HNNXBMFYSA-N 1 0 313.463 2.397 10 0 DEAERO CCCn1cc(Br)cc1C(=O)NC(C)(C)C[NH3+] ZINC000063020484 184267265 /nfs/dbraw/zinc/26/72/65/184267265.db2.gz GSPBJCCWSUQHHQ-UHFFFAOYSA-N 1 0 302.216 2.128 10 0 DEAERO Cc1cccc(S(=O)(=O)N2CCC[C@@H](C[NH2+]C(C)C)C2)c1 ZINC000063138736 184273328 /nfs/dbraw/zinc/27/33/28/184273328.db2.gz RLGZUGDSRAWSKY-HNNXBMFYSA-N 1 0 310.463 2.394 10 0 DEAERO Cc1csc(NC(=O)CN2CCC[C@@H](C[NH2+]C(C)C)C2)n1 ZINC000063139040 184273351 /nfs/dbraw/zinc/27/33/51/184273351.db2.gz YOIBFGAVJGPHBO-ZDUSSCGKSA-N 1 0 310.467 2.100 10 0 DEAERO CCNC(=O)COc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000063457416 184282219 /nfs/dbraw/zinc/28/22/19/184282219.db2.gz WSFPVGZYIQWZIM-UHFFFAOYSA-N 1 0 306.406 2.066 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1Cl ZINC000063168041 184275756 /nfs/dbraw/zinc/27/57/56/184275756.db2.gz KUUACXIUIUPETP-NSHDSACASA-N 1 0 302.827 2.103 10 0 DEAERO COc1ccc(C(=O)N[C@H]2CCC[C@@H]2[NH3+])cc1Br ZINC000063172226 184276045 /nfs/dbraw/zinc/27/60/45/184276045.db2.gz MURNPQOBZOATAJ-QWRGUYRKSA-N 1 0 313.195 2.067 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1Nc1ccccc1S(=O)(=O)C(F)(F)F ZINC000063177677 184276669 /nfs/dbraw/zinc/27/66/69/184276669.db2.gz NYZUSTPIJKRDNP-BDAKNGLRSA-N 1 0 308.325 2.272 10 0 DEAERO COc1ccc(S(=O)(=O)Nc2cccc(C[NH3+])c2)cc1C ZINC000063191076 184277049 /nfs/dbraw/zinc/27/70/49/184277049.db2.gz AKSCOMNGGSXGPW-UHFFFAOYSA-N 1 0 306.387 2.263 10 0 DEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 ZINC000066068231 184386516 /nfs/dbraw/zinc/38/65/16/184386516.db2.gz KHMKKCADZZUXQW-ZDUSSCGKSA-N 1 0 305.422 2.034 10 0 DEAERO CC(C)(C)[NH2+]CC(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000066212424 184396974 /nfs/dbraw/zinc/39/69/74/184396974.db2.gz MCGSYTPTMRIKJN-UHFFFAOYSA-N 1 0 303.406 2.249 10 0 DEAERO C[C@H](CCO)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119161558 207356023 /nfs/dbraw/zinc/35/60/23/207356023.db2.gz MEZQKHPSTXCROM-QAPCUYQASA-N 1 0 319.449 2.111 10 0 DEAERO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCCN1CCOCC1 ZINC000184004477 207363759 /nfs/dbraw/zinc/36/37/59/207363759.db2.gz YRAMPNCMCYFLMV-SFHVURJKSA-N 1 0 317.477 2.310 10 0 DEAERO CCOC[C@@H](O)COc1ccc(Br)cc1[C@@H](C)[NH3+] ZINC000069275858 184506410 /nfs/dbraw/zinc/50/64/10/184506410.db2.gz RQRHSXVNLGIMFT-MWLCHTKSSA-N 1 0 318.211 2.245 10 0 DEAERO CCN(C(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C)C1CCCCC1 ZINC000113271061 194575953 /nfs/dbraw/zinc/57/59/53/194575953.db2.gz GWMCMZATQDHXAJ-DOTOQJQBSA-N 1 0 307.482 2.336 10 0 DEAERO COCCN1CCC[N@H+](C[C@@H](C)Cc2ccccc2)CC1=O ZINC000191698907 285017814 /nfs/dbraw/zinc/01/78/14/285017814.db2.gz ARPDDVHDBCBVDU-INIZCTEOSA-N 1 0 304.434 2.046 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccc(F)cc1F ZINC000538187401 285027190 /nfs/dbraw/zinc/02/71/90/285027190.db2.gz GEVBQHHQHHLHFH-KWCYVHTRSA-N 1 0 315.360 2.172 10 0 DEAERO CCC[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000119994915 195076677 /nfs/dbraw/zinc/07/66/77/195076677.db2.gz KOAKQNQNFUDYDP-SJORKVTESA-N 1 0 304.434 2.187 10 0 DEAERO c1cn(Cc2ccccc2)c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)n1 ZINC000539516017 285079474 /nfs/dbraw/zinc/07/94/74/285079474.db2.gz ZHNUOCUWWYEMBC-MRXNPFEDSA-N 1 0 307.401 2.302 10 0 DEAERO CCOc1ccc2[nH]c(SC[C@H]([NH3+])[C@@H]3CCOC3)nc2c1 ZINC000159210660 197335909 /nfs/dbraw/zinc/33/59/09/197335909.db2.gz XZIZBULESYSEFP-PWSUYJOCSA-N 1 0 307.419 2.418 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCC(C)(C)C2)cc(C)c1F ZINC000159125908 197329841 /nfs/dbraw/zinc/32/98/41/197329841.db2.gz VGVXQVATGZJQAN-UHFFFAOYSA-N 1 0 314.426 2.274 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NCC(C)(C)C)cc(C)c1F ZINC000159092866 197326576 /nfs/dbraw/zinc/32/65/76/197326576.db2.gz QXLRHQORRJUBPB-UHFFFAOYSA-N 1 0 302.415 2.178 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)Cc2ccoc2)cc(C[NH3+])c1F ZINC000159094758 197326236 /nfs/dbraw/zinc/32/62/36/197326236.db2.gz HBPZPDZJUBAJGP-UHFFFAOYSA-N 1 0 312.366 2.007 10 0 DEAERO COCC[NH2+]Cc1cnc(N2CCSC(C)(C)C2)c(C)c1 ZINC000158928413 197312432 /nfs/dbraw/zinc/31/24/32/197312432.db2.gz MADVSAVODGTUSS-UHFFFAOYSA-N 1 0 309.479 2.458 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1cc(F)ccc1C ZINC000159014402 197319212 /nfs/dbraw/zinc/31/92/12/197319212.db2.gz OJVDCXXCFCPRIN-OCCSQVGLSA-N 1 0 314.426 2.191 10 0 DEAERO CCn1c(=O)[nH]nc1Sc1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000158903179 197310708 /nfs/dbraw/zinc/31/07/08/197310708.db2.gz SOCMTCXIBBKDGL-UHFFFAOYSA-N 1 0 307.423 2.026 10 0 DEAERO COC(=O)[C@@H](C)n1c(N)[nH+]c2cc(F)c(Br)cc21 ZINC000158393482 197268040 /nfs/dbraw/zinc/26/80/40/197268040.db2.gz MREWMIWLZKUUCJ-RXMQYKEDSA-N 1 0 316.130 2.254 10 0 DEAERO [NH3+]Cc1cc(C(F)(F)F)ccc1NC(=O)N[C@H]1CCOC1 ZINC000158349171 197264293 /nfs/dbraw/zinc/26/42/93/197264293.db2.gz RMMBHFYXFWIGHX-JTQLQIEISA-N 1 0 303.284 2.075 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)cc1NC(C)=O ZINC000158247774 197257044 /nfs/dbraw/zinc/25/70/44/197257044.db2.gz SBOOZNREZDOGCG-ZBEGNZNMSA-N 1 0 324.446 2.172 10 0 DEAERO COCCNC(=O)[C@H](C)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000157898818 197224204 /nfs/dbraw/zinc/22/42/04/197224204.db2.gz OCDMONXENZMJGZ-GXFFZTMASA-N 1 0 312.410 2.103 10 0 DEAERO CC[NH2+]CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000157600196 197201097 /nfs/dbraw/zinc/20/10/97/197201097.db2.gz PVNPWQDEQVEXIS-UHFFFAOYSA-N 1 0 324.368 2.292 10 0 DEAERO COc1csc([C@H]([NH3+])c2c(Br)cnn2C)c1 ZINC000157464112 197188921 /nfs/dbraw/zinc/18/89/21/197188921.db2.gz TVERKNDWOUQHRC-VIFPVBQESA-N 1 0 302.197 2.301 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](COc2cc(F)cc(Br)c2)O1 ZINC000157413414 197185340 /nfs/dbraw/zinc/18/53/40/197185340.db2.gz JRMVVCVIQWJGGY-GHMZBOCLSA-N 1 0 304.159 2.473 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(OC)c(F)c1)[C@H](C)S(C)(=O)=O ZINC000157284157 197176784 /nfs/dbraw/zinc/17/67/84/197176784.db2.gz GVYJRDSVVTZKHW-SMDDNHRTSA-N 1 0 317.426 2.178 10 0 DEAERO CC[C@@H](CSC)N(C)c1nc(NN)[nH+]cc1Br ZINC000157184611 197168588 /nfs/dbraw/zinc/16/85/88/197168588.db2.gz OLRKCMAMVPYWGY-ZETCQYMHSA-N 1 0 320.260 2.103 10 0 DEAERO CCc1oc(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1C ZINC000157135811 197164884 /nfs/dbraw/zinc/16/48/84/197164884.db2.gz GPBBEPUERMMTQG-AWEZNQCLSA-N 1 0 320.433 2.476 10 0 DEAERO COC[C@@H](C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186054302 285199478 /nfs/dbraw/zinc/19/94/78/285199478.db2.gz OWYZNLRTLHPSKR-RHSMWYFYSA-N 1 0 304.434 2.296 10 0 DEAERO C[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]1C[NH3+] ZINC000070178477 296401334 /nfs/dbraw/zinc/40/13/34/296401334.db2.gz XJWUAELKYUKTIL-ZWNOBZJWSA-N 1 0 318.389 2.247 10 0 DEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)NC[C@H]2CCCCS2)cc1 ZINC000156470004 197116645 /nfs/dbraw/zinc/11/66/45/197116645.db2.gz IAHDJPNFEDHODL-DGCLKSJQSA-N 1 0 314.476 2.270 10 0 DEAERO Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@H](O)C(C)C)CC1 ZINC000156359756 197107224 /nfs/dbraw/zinc/10/72/24/197107224.db2.gz VBKSODLZXQBLLO-SFHVURJKSA-N 1 0 318.461 2.483 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccc(S(N)(=O)=O)cc1 ZINC000156341006 197105827 /nfs/dbraw/zinc/10/58/27/197105827.db2.gz DFMDNSHNAFYWEZ-DGCLKSJQSA-N 1 0 314.476 2.270 10 0 DEAERO COc1cccc2sc(C(=O)NCCC[NH+](C)C)c(N)c21 ZINC000156162716 197090444 /nfs/dbraw/zinc/09/04/44/197090444.db2.gz HELHBIKQECPPON-UHFFFAOYSA-N 1 0 307.419 2.174 10 0 DEAERO CC1CC(C(N)=S)(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000156041603 197082454 /nfs/dbraw/zinc/08/24/54/197082454.db2.gz WBLASGAFCYOSDA-MFOWVQHXSA-N 1 0 311.495 2.070 10 0 DEAERO CS(=O)(=O)c1ccc(F)c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000155931586 197075743 /nfs/dbraw/zinc/07/57/43/197075743.db2.gz MJEXWZJUCRRIAJ-NWDGAFQWSA-N 1 0 312.410 2.268 10 0 DEAERO O=C(C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)NCc1ccc(Cl)cc1 ZINC000155567335 197067743 /nfs/dbraw/zinc/06/77/43/197067743.db2.gz AERIAHZCWFTELL-ZBFHGGJFSA-N 1 0 322.836 2.457 10 0 DEAERO CC(=O)Nc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000155531727 197064018 /nfs/dbraw/zinc/06/40/18/197064018.db2.gz NLXKNRMSKDTVSK-WBMJQRKESA-N 1 0 303.406 2.104 10 0 DEAERO Cc1csc2nc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)cc(=O)n12 ZINC000155518030 197062704 /nfs/dbraw/zinc/06/27/04/197062704.db2.gz FERQANHYDXFERW-TZMCWYRMSA-N 1 0 319.430 2.065 10 0 DEAERO COc1cc(OC)cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000155411762 197052079 /nfs/dbraw/zinc/05/20/79/197052079.db2.gz IUQKDVDEGPODLR-WBMJQRKESA-N 1 0 306.406 2.162 10 0 DEAERO COc1c(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(C)nn1C ZINC000155213037 197032813 /nfs/dbraw/zinc/03/28/13/197032813.db2.gz UJRQLBCRBDTKII-QGZVFWFLSA-N 1 0 314.433 2.226 10 0 DEAERO C[C@H](Cc1ccccc1Cl)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000155121566 197024464 /nfs/dbraw/zinc/02/44/64/197024464.db2.gz RLAUWPMUZJQNTA-HIFRSBDPSA-N 1 0 324.852 2.308 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000229365135 291915078 /nfs/dbraw/zinc/91/50/78/291915078.db2.gz FBUVUVSYYPAKNZ-QWHCGFSZSA-N 1 0 314.426 2.109 10 0 DEAERO COc1ccccc1C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000153869483 196916910 /nfs/dbraw/zinc/91/69/10/196916910.db2.gz HFHNCRJZVHKKCB-HOTGVXAUSA-N 1 0 302.418 2.371 10 0 DEAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)Cc1c(C)nn(C)c1C 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CC[C@]1(c2nnc3n2C[C@H](C(F)(F)F)CC3)CCC[NH2+]C1 ZINC000123132855 195547133 /nfs/dbraw/zinc/54/71/33/195547133.db2.gz FOFCUYPBRFYRKM-MFKMUULPSA-N 1 0 302.344 2.434 10 0 DEAERO C[C@@](CO)(CCSc1ccc2c(c1)OCCO2)[NH2+]C1CC1 ZINC000124346628 195631205 /nfs/dbraw/zinc/63/12/05/195631205.db2.gz SRNXUHWYUPMCJA-INIZCTEOSA-N 1 0 309.431 2.443 10 0 DEAERO CCc1nnc(-n2nc(C)c(Cl)c2C)c(C(N)=[NH2+])c1CC ZINC000125365989 195741222 /nfs/dbraw/zinc/74/12/22/195741222.db2.gz WYPOAIAAIAZUAR-UHFFFAOYSA-N 1 0 306.801 2.341 10 0 DEAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C[NH3+])c(Cl)c2)C1 ZINC000126139128 195813529 /nfs/dbraw/zinc/81/35/29/195813529.db2.gz GSCMXBOYGHARDH-GHMZBOCLSA-N 1 0 316.854 2.465 10 0 DEAERO CN1CCO[C@H](C[NH3+])[C@@H]1c1ccc(Br)cc1Cl ZINC000127367594 195871148 /nfs/dbraw/zinc/87/11/48/195871148.db2.gz CYXMQDDACKEOHO-NEPJUHHUSA-N 1 0 319.630 2.433 10 0 DEAERO Cc1nc2cc(F)c(F)cc2n1CC(=O)N(C)CCC[NH+](C)C ZINC000562306803 291975923 /nfs/dbraw/zinc/97/59/23/291975923.db2.gz 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FHWYVVNWNJAXIV-HNNXBMFYSA-N 1 0 316.357 2.349 10 0 DEAERO CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000361894995 133198555 /nfs/dbraw/zinc/19/85/55/133198555.db2.gz RTLSSDWOWHFIDU-RCCFBDPRSA-N 1 0 308.466 2.430 10 0 DEAERO Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000368165239 133263262 /nfs/dbraw/zinc/26/32/62/133263262.db2.gz VNOOTIYUUKXRBC-KBAYOESNSA-N 1 0 324.428 2.359 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccsc1)N1CCN(c2ccccn2)CC1 ZINC000043115908 134732242 /nfs/dbraw/zinc/73/22/42/134732242.db2.gz PMAXGILUWWHXCQ-CJNGLKHVSA-N 1 0 302.447 2.354 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)Nc2ncccc2OC)CC1 ZINC000548115563 285689044 /nfs/dbraw/zinc/68/90/44/285689044.db2.gz ZYJVCGAVAUEXRQ-UHFFFAOYSA-N 1 0 306.410 2.334 10 0 DEAERO c1cnn(Cc2noc(-c3cccc(Cn4ccnc4)c3)n2)c1 ZINC000352596494 404481514 /nfs/dbraw/zinc/48/15/14/404481514.db2.gz BBPSUTIJLSEOFU-UHFFFAOYSA-N 1 0 306.329 2.226 10 0 DEAERO COC1(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCC1 ZINC000248600267 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ZINC000251676667 145195696 /nfs/dbraw/zinc/19/56/96/145195696.db2.gz MRDSCJAETMMQSD-XHSDSOJGSA-N 1 0 319.449 2.435 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@@H](O)COc2cccc3[nH]ccc32)CC[C@H]1C ZINC000251704489 145196088 /nfs/dbraw/zinc/19/60/88/145196088.db2.gz KDLWMIYWDJLIIU-HBUWYVDXSA-N 1 0 318.417 2.264 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCc2ccc(F)cc2)CC[C@H]1C ZINC000251843092 145196139 /nfs/dbraw/zinc/19/61/39/145196139.db2.gz MVZGABMPLRAGOT-DVOMOZLQSA-N 1 0 308.397 2.187 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCc2ccc(F)cc2)CC[C@@H]1C ZINC000251843096 145196489 /nfs/dbraw/zinc/19/64/89/145196489.db2.gz MVZGABMPLRAGOT-HEHGZKQESA-N 1 0 308.397 2.187 10 0 DEAERO CO[C@H]1C[N@H+](CC(=O)NCc2ccc(C)c(F)c2)CC[C@H]1C ZINC000252011250 145198464 /nfs/dbraw/zinc/19/84/64/145198464.db2.gz XQJZQZXMURRIMP-CJNGLKHVSA-N 1 0 308.397 2.107 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252413811 145199255 /nfs/dbraw/zinc/19/92/55/145199255.db2.gz FVDCYGFUAKRMQT-GDBMZVCRSA-N 1 0 308.447 2.148 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000252415894 145199350 /nfs/dbraw/zinc/19/93/50/145199350.db2.gz MFZFBEQZUNPNSU-CHWSQXEVSA-N 1 0 314.476 2.209 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000252648878 145199936 /nfs/dbraw/zinc/19/99/36/145199936.db2.gz NLBMRGDFIXLMAD-HOTGVXAUSA-N 1 0 318.465 2.482 10 0 DEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)cc4c3OCOC4)C[C@H]12 ZINC000252880073 145200675 /nfs/dbraw/zinc/20/06/75/145200675.db2.gz SJFLDNZDZPBDMT-NZVBXONLSA-N 1 0 309.793 2.409 10 0 DEAERO CCC(C)(C)NC(=O)CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261601301 145209167 /nfs/dbraw/zinc/20/91/67/145209167.db2.gz AGJPRYKNMCVPAK-OAHLLOKOSA-N 1 0 307.413 2.077 10 0 DEAERO CSc1ccc(NC(=O)CN2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261603161 145209386 /nfs/dbraw/zinc/20/93/86/145209386.db2.gz AFRDWJMPMJIXGT-AWEZNQCLSA-N 1 0 307.463 2.406 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)COc1cccc(F)c1 ZINC000261684636 145216187 /nfs/dbraw/zinc/21/61/87/145216187.db2.gz QZZXTPZGGQRWOE-ZKHDCCDFSA-N 1 0 306.381 2.227 10 0 DEAERO C[C@H](CNC(=O)[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261683249 145216447 /nfs/dbraw/zinc/21/64/47/145216447.db2.gz KECYRJIYZYISAD-VYDXJSESSA-N 1 0 317.477 2.354 10 0 DEAERO Cc1nc(C2(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])CCCCC2)no1 ZINC000261710686 145219039 /nfs/dbraw/zinc/21/90/39/145219039.db2.gz JGJCXXXGSQGRQO-CHWSQXEVSA-N 1 0 306.410 2.029 10 0 DEAERO C[C@H](COc1ccccc1)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261710100 145219125 /nfs/dbraw/zinc/21/91/25/145219125.db2.gz GCNIPLMAPFPAGY-OAHLLOKOSA-N 1 0 302.418 2.304 10 0 DEAERO Cc1noc2nc(C)cc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)c12 ZINC000261723523 145221040 /nfs/dbraw/zinc/22/10/40/145221040.db2.gz CNRFKKPCTNKJRK-LBPRGKRZSA-N 1 0 302.378 2.039 10 0 DEAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1c(F)cccc1Cl ZINC000261750670 145222828 /nfs/dbraw/zinc/22/28/28/145222828.db2.gz FCOFOSWETNZTLK-VIFPVBQESA-N 1 0 300.761 2.164 10 0 DEAERO CC1(C)CN([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC[C@@H]1[NH3+] ZINC000261756132 145223392 /nfs/dbraw/zinc/22/33/92/145223392.db2.gz LLURFTJXJONJSV-KGLIPLIRSA-N 1 0 323.387 2.129 10 0 DEAERO C[C@@]1(C[NH3+])CCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000261757695 145223475 /nfs/dbraw/zinc/22/34/75/145223475.db2.gz FEDFNPCAAQRPGV-HNNXBMFYSA-N 1 0 302.403 2.016 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000261757696 145223571 /nfs/dbraw/zinc/22/35/71/145223571.db2.gz FEDFNPCAAQRPGV-OAHLLOKOSA-N 1 0 302.403 2.016 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261771670 145225153 /nfs/dbraw/zinc/22/51/53/145225153.db2.gz OQWUSVLUIOBEHZ-DGCLKSJQSA-N 1 0 314.838 2.021 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCc2cccc(Cl)c2Cl)O1 ZINC000261778378 145225300 /nfs/dbraw/zinc/22/53/00/145225300.db2.gz MUMVNFABLIVFOC-PWSUYJOCSA-N 1 0 317.216 2.158 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c(F)cc1F ZINC000261811054 145228930 /nfs/dbraw/zinc/22/89/30/145228930.db2.gz WWRUAYYTUCWJGK-ZDUSSCGKSA-N 1 0 318.389 2.021 10 0 DEAERO Cc1cc(F)c(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1F ZINC000261815826 145229705 /nfs/dbraw/zinc/22/97/05/145229705.db2.gz PBHWYHHMGODPNN-ZDUSSCGKSA-N 1 0 318.389 2.021 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261819269 145230788 /nfs/dbraw/zinc/23/07/88/145230788.db2.gz IFTYADLNZWZPMC-WCQYABFASA-N 1 0 305.447 2.159 10 0 DEAERO CC(=O)N(c1nc(CN2CC[C@H]([NH3+])C(C)(C)C2)cs1)C1CC1 ZINC000261824262 145230793 /nfs/dbraw/zinc/23/07/93/145230793.db2.gz YCXHBNMSBUTPJW-AWEZNQCLSA-N 1 0 322.478 2.218 10 0 DEAERO CSc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828872 145231185 /nfs/dbraw/zinc/23/11/85/145231185.db2.gz YPUIRLQCMSJCFK-ZDUSSCGKSA-N 1 0 314.476 2.156 10 0 DEAERO C[NH2+][C@@H](C)CNC(=O)CCOc1cccc(Cl)c1Cl ZINC000261825414 145231543 /nfs/dbraw/zinc/23/15/43/145231543.db2.gz UWEZGGYXJRNKFK-VIFPVBQESA-N 1 0 305.205 2.486 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)CC(=O)NC1CCCCCC1 ZINC000261838575 145232517 /nfs/dbraw/zinc/23/25/17/145232517.db2.gz WIQMTFPPVZTLRA-UHFFFAOYSA-N 1 0 317.477 2.329 10 0 DEAERO C[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261857208 145234673 /nfs/dbraw/zinc/23/46/73/145234673.db2.gz RCHYXAYEINUDKF-MCIONIFRSA-N 1 0 306.381 2.051 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)n1 ZINC000261862743 145234915 /nfs/dbraw/zinc/23/49/15/145234915.db2.gz ULZWTNYLWMNGDH-JTNHKYCSSA-N 1 0 314.389 2.482 10 0 DEAERO CCN(CC(=O)Nc1c(F)cccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261870690 145236038 /nfs/dbraw/zinc/23/60/38/145236038.db2.gz OTKUGSFZEYQDOI-INIZCTEOSA-N 1 0 311.376 2.225 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1Cl ZINC000261869877 145236407 /nfs/dbraw/zinc/23/64/07/145236407.db2.gz SVWXWTKMYIYIFK-ZDUSSCGKSA-N 1 0 316.854 2.396 10 0 DEAERO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261886300 145237931 /nfs/dbraw/zinc/23/79/31/145237931.db2.gz VDBROJKLYIUWMX-PWSUYJOCSA-N 1 0 310.829 2.121 10 0 DEAERO CC(C)c1noc2ncc(C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)cc21 ZINC000261893410 145238630 /nfs/dbraw/zinc/23/86/30/145238630.db2.gz VUCTZNIOVAOOJA-QWRGUYRKSA-N 1 0 302.378 2.156 10 0 DEAERO CN(C(=O)[C@H]1Cc2cc(Cl)ccc2O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261902247 145239351 /nfs/dbraw/zinc/23/93/51/145239351.db2.gz WWGOCGIFUHVIKU-LBEMJPCMSA-N 1 0 320.820 2.385 10 0 DEAERO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261937178 145243913 /nfs/dbraw/zinc/24/39/13/145243913.db2.gz JBANHZHBFPSHDB-ZFWWWQNUSA-N 1 0 323.481 2.047 10 0 DEAERO COc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c(C)c1 ZINC000261937584 145244119 /nfs/dbraw/zinc/24/41/19/145244119.db2.gz UGIYWJVFPSREHD-JCKWVBRZSA-N 1 0 318.417 2.475 10 0 DEAERO CCOCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261934803 145244207 /nfs/dbraw/zinc/24/42/07/145244207.db2.gz MCWXZRAIUZWSQI-GUDVDZBRSA-N 1 0 318.461 2.470 10 0 DEAERO COc1cc(N)c(Cl)cc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261940374 145244890 /nfs/dbraw/zinc/24/48/90/145244890.db2.gz JHTFADMUFSUWAG-CYBMUJFWSA-N 1 0 311.813 2.130 10 0 DEAERO C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000261946345 145245770 /nfs/dbraw/zinc/24/57/70/145245770.db2.gz VRBRUMDLCUIXGC-JNNRSPCRSA-N 1 0 316.445 2.439 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc2n[nH]cc2c1 ZINC000261953548 145246137 /nfs/dbraw/zinc/24/61/37/145246137.db2.gz WSOLYNDXLLKOIC-QEORTHHSSA-N 1 0 314.389 2.034 10 0 DEAERO Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261952243 145246324 /nfs/dbraw/zinc/24/63/24/145246324.db2.gz OMQZXLNQPGOWPT-BBWFWOEESA-N 1 0 304.434 2.121 10 0 DEAERO Cc1ccccc1S(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261960241 145246787 /nfs/dbraw/zinc/24/67/87/145246787.db2.gz HEQODXJIPKXISB-UHFFFAOYSA-N 1 0 318.442 2.187 10 0 DEAERO c1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)CC2)cc1 ZINC000261961620 145246794 /nfs/dbraw/zinc/24/67/94/145246794.db2.gz PQYPASYQXMKVFS-KZNAEPCWSA-N 1 0 300.446 2.465 10 0 DEAERO COc1ccc(Nc2ccccc2C(=O)NCC2C[NH2+]C2)cc1 ZINC000262036210 145255225 /nfs/dbraw/zinc/25/52/25/145255225.db2.gz QEKNYJYBKJCJAY-UHFFFAOYSA-N 1 0 311.385 2.388 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)Oc1ccccc1F ZINC000262038499 145255938 /nfs/dbraw/zinc/25/59/38/145255938.db2.gz YHJIZKSHNRFTOK-SRABZTEZSA-N 1 0 322.424 2.340 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)Cc1cc(-c2cccnc2)n[nH]1 ZINC000262041148 145256097 /nfs/dbraw/zinc/25/60/97/145256097.db2.gz PEEZMCPNCBDYJL-UHFFFAOYSA-N 1 0 321.428 2.475 10 0 DEAERO O=C(CC1CCC(c2ccccc2)CC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262092823 145261059 /nfs/dbraw/zinc/26/10/59/145261059.db2.gz DFHAKIKEDWZCKH-DQVOVIAYSA-N 1 0 316.445 2.047 10 0 DEAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262094208 145261292 /nfs/dbraw/zinc/26/12/92/145261292.db2.gz YSSLEJQUZQEAKS-RYUDHWBXSA-N 1 0 318.808 2.335 10 0 DEAERO COc1cccc([C@H](C)N2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262114010 145263246 /nfs/dbraw/zinc/26/32/46/145263246.db2.gz WRYZZXLSHADQIF-LPHOPBHVSA-N 1 0 317.477 2.373 10 0 DEAERO COc1cccc2c1OCC(C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)=C2 ZINC000262128721 145264698 /nfs/dbraw/zinc/26/46/98/145264698.db2.gz WPNIVJSKCCWNPT-OAHLLOKOSA-N 1 0 316.401 2.057 10 0 DEAERO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1-n1cccn1 ZINC000262362693 145279425 /nfs/dbraw/zinc/27/94/25/145279425.db2.gz IWMGIDBXVFIZQA-ZNMIVQPWSA-N 1 0 312.417 2.438 10 0 DEAERO COCC1(C(=O)N[C@@H](C)c2c(F)cccc2OC)CC[NH2+]CC1 ZINC000262404383 145282101 /nfs/dbraw/zinc/28/21/01/145282101.db2.gz RKMUUUDQFWZKCK-LBPRGKRZSA-N 1 0 324.396 2.028 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(NC2CCOCC2)cc1)C1C[NH2+]C1 ZINC000262443017 145284373 /nfs/dbraw/zinc/28/43/73/145284373.db2.gz VCUNLYMXHVUXQR-GFCCVEGCSA-N 1 0 303.406 2.072 10 0 DEAERO CC(C)(C)c1nnc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)s1 ZINC000262459493 145284739 /nfs/dbraw/zinc/28/47/39/145284739.db2.gz JESCANZGMHGTTF-UTUOFQBUSA-N 1 0 322.478 2.373 10 0 DEAERO C[C@H](C[NH3+])C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000262508455 145288751 /nfs/dbraw/zinc/28/87/51/145288751.db2.gz JIYUYGAVPWIIFC-MFKMUULPSA-N 1 0 316.323 2.200 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1nc(C2CC2)cs1 ZINC000262530289 145290634 /nfs/dbraw/zinc/29/06/34/145290634.db2.gz PLIFECKXOCSYGB-NSODJVPESA-N 1 0 321.446 2.492 10 0 DEAERO C[C@H](C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)C1C[NH2+]C1 ZINC000262561020 145292933 /nfs/dbraw/zinc/29/29/33/145292933.db2.gz QRMMQAKJCVXBBQ-UFBFGSQYSA-N 1 0 304.287 2.401 10 0 DEAERO CCCC[C@H](C[NH3+])NC(=O)CCc1nc2c(cccc2C)[nH]1 ZINC000262596336 145295491 /nfs/dbraw/zinc/29/54/91/145295491.db2.gz KKFRRNUIDNVMIT-CYBMUJFWSA-N 1 0 302.422 2.438 10 0 DEAERO Cc1ccc([C@H](O)CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000262621785 145296662 /nfs/dbraw/zinc/29/66/62/145296662.db2.gz IYBPUNLUEJEFFB-BHYGNILZSA-N 1 0 304.434 2.170 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000262769047 145304150 /nfs/dbraw/zinc/30/41/50/145304150.db2.gz LREHCYXYCPHDIK-WCBMZHEXSA-N 1 0 323.245 2.270 10 0 DEAERO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccnc3ccncc32)C1(C)C ZINC000262822943 145306836 /nfs/dbraw/zinc/30/68/36/145306836.db2.gz YWOFMEZFPZSHRF-WMLDXEAASA-N 1 0 314.389 2.101 10 0 DEAERO CC(C)n1cc2c(n1)C[C@H](NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])CC2 ZINC000262922890 145311241 /nfs/dbraw/zinc/31/12/41/145311241.db2.gz HDEYDRHBEFTOSD-IIDMSEBBSA-N 1 0 318.465 2.345 10 0 DEAERO CC[C@@H](Oc1ccccc1C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263131023 145328012 /nfs/dbraw/zinc/32/80/12/145328012.db2.gz BRHGCWRGEWLRQL-ZIAGYGMSSA-N 1 0 316.405 2.484 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(/C=C/c2cccc3cccnc23)n1 ZINC000263146627 145329645 /nfs/dbraw/zinc/32/96/45/145329645.db2.gz CTPIWNOSUZDODJ-MVGZEHJDSA-N 1 0 321.384 2.364 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(C[C@@H]2CCCc3ccccc32)n1 ZINC000263153300 145330210 /nfs/dbraw/zinc/33/02/10/145330210.db2.gz DFBAEUBROJLRPL-GOEBONIOSA-N 1 0 312.417 2.308 10 0 DEAERO Cc1cc(C)c(OCc2nc([C@@H]3C[NH2+]CCN3C)no2)c(C)c1 ZINC000263176509 145332707 /nfs/dbraw/zinc/33/27/07/145332707.db2.gz GGGBMSYKGHHAMN-AWEZNQCLSA-N 1 0 316.405 2.150 10 0 DEAERO CCc1ccc([C@@H](C)c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263189008 145334154 /nfs/dbraw/zinc/33/41/54/145334154.db2.gz HQSNJSDHMLHHNR-IUODEOHRSA-N 1 0 300.406 2.360 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(C2(c3ccc(Cl)cc3)CC2)n1 ZINC000263213561 145336442 /nfs/dbraw/zinc/33/64/42/145336442.db2.gz KNICWJUERIQWMM-ZDUSSCGKSA-N 1 0 318.808 2.379 10 0 DEAERO C[C@H](O)C1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000304300703 145340037 /nfs/dbraw/zinc/34/00/37/145340037.db2.gz OITDFJCTZHYOHK-LBPRGKRZSA-N 1 0 311.470 2.098 10 0 DEAERO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000313394800 145355869 /nfs/dbraw/zinc/35/58/69/145355869.db2.gz SMNLESDHRXSLGD-LLVKDONJSA-N 1 0 316.854 2.205 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCC[C@@H]1O ZINC000332782837 145388179 /nfs/dbraw/zinc/38/81/79/145388179.db2.gz XSPPTQFPMFXFOO-DDBAPUKQSA-N 1 0 316.445 2.032 10 0 DEAERO C[C@H](CCNC(=O)N[C@H]1CCO[C@H]1C1CC1)[NH+]1CCCCC1 ZINC000332846260 145389610 /nfs/dbraw/zinc/38/96/10/145389610.db2.gz BGTFYYUSJZHXKA-KBMXLJTQSA-N 1 0 309.454 2.118 10 0 DEAERO CCCC(O)(CCC)CNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358664041 147176480 /nfs/dbraw/zinc/17/64/80/147176480.db2.gz KMFOOXMKGBENRI-UHFFFAOYSA-N 1 0 311.470 2.269 10 0 DEAERO CCOCc1nc([C@H](C)NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)no1 ZINC000359506324 147339699 /nfs/dbraw/zinc/33/96/99/147339699.db2.gz MBRNGKWKAQGLFL-NDBYEHHHSA-N 1 0 324.425 2.045 10 0 DEAERO CCOCc1nc([C@H](C)NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)no1 ZINC000359506325 147339908 /nfs/dbraw/zinc/33/99/08/147339908.db2.gz MBRNGKWKAQGLFL-QNWHQSFQSA-N 1 0 324.425 2.045 10 0 DEAERO c1cc(-c2ccc(C[NH2+][C@H]3CCN(c4ccccn4)C3)o2)n[nH]1 ZINC000370535840 148028571 /nfs/dbraw/zinc/02/85/71/148028571.db2.gz MPSGDGXEWFKOEF-ZDUSSCGKSA-N 1 0 309.373 2.433 10 0 DEAERO CC(C)Cn1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cn1 ZINC000374687615 148278658 /nfs/dbraw/zinc/27/86/58/148278658.db2.gz OTTGQLHHFRQSMA-DLBZAZTESA-N 1 0 321.465 2.196 10 0 DEAERO COc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1F ZINC000374719585 148282363 /nfs/dbraw/zinc/28/23/63/148282363.db2.gz VVTZXGZMVXYHOM-RHSMWYFYSA-N 1 0 323.408 2.492 10 0 DEAERO c1cn(-c2ccccc2)nc1CN1CCO[C@@]2(CCCOC2)C1 ZINC000375624888 148393362 /nfs/dbraw/zinc/39/33/62/148393362.db2.gz RBDPQWGECOJFJA-SFHVURJKSA-N 1 0 313.401 2.254 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2ncoc2[C@H]2CCCO2)CC1 ZINC000408276229 148583960 /nfs/dbraw/zinc/58/39/60/148583960.db2.gz HJNYVQJNWFUFDQ-CHWSQXEVSA-N 1 0 307.394 2.082 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1cc2c(n1)CCCC2 ZINC000005147551 401728959 /nfs/dbraw/zinc/72/89/59/401728959.db2.gz CAMFBOXWIDXILT-OAHLLOKOSA-N 1 0 318.465 2.143 10 0 DEAERO CCOCC[N@@H+]1CCN(c2cnc3ccccc3n2)C[C@@H]1C ZINC000112556209 401748657 /nfs/dbraw/zinc/74/86/57/401748657.db2.gz PYHBHBGRQUOZRR-AWEZNQCLSA-N 1 0 300.406 2.177 10 0 DEAERO CC[C@@]1(C)CCCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000074167183 401732005 /nfs/dbraw/zinc/73/20/05/401732005.db2.gz OIHRCVJKQNCVHI-WBVHZDCISA-N 1 0 311.470 2.319 10 0 DEAERO COC(=O)[C@H](C)[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccccc1 ZINC000127379348 401732196 /nfs/dbraw/zinc/73/21/96/401732196.db2.gz REIBRJGIBFJSBH-VNQPRFMTSA-N 1 0 323.433 2.302 10 0 DEAERO CC(C)CC[C@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112271538 401735315 /nfs/dbraw/zinc/73/53/15/401735315.db2.gz SENXYOAHPCTNPH-HNNXBMFYSA-N 1 0 318.465 2.388 10 0 DEAERO C[NH+]1CCN(c2cc(C(=O)NCC3(C)CCCC3)ccn2)CC1 ZINC000112296723 401736880 /nfs/dbraw/zinc/73/68/80/401736880.db2.gz NOLNRCZKGCXXRY-UHFFFAOYSA-N 1 0 316.449 2.144 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000127586221 401741163 /nfs/dbraw/zinc/74/11/63/401741163.db2.gz WJMOLTKHDLYCAV-RISCZKNCSA-N 1 0 323.824 2.220 10 0 DEAERO COCC1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000112401643 401743498 /nfs/dbraw/zinc/74/34/98/401743498.db2.gz YKYAALOCQHSIHC-KRWDZBQOSA-N 1 0 304.434 2.044 10 0 DEAERO COc1cc(C[NH2+]CCCn2ccnn2)cc(Cl)c1OC ZINC000126496077 401697134 /nfs/dbraw/zinc/69/71/34/401697134.db2.gz FZDYSZKZTKYDCS-UHFFFAOYSA-N 1 0 310.785 2.129 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000111229102 401701947 /nfs/dbraw/zinc/70/19/47/401701947.db2.gz CBLFAXYQQBFHHC-AWEZNQCLSA-N 1 0 318.808 2.240 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000073665443 401719972 /nfs/dbraw/zinc/71/99/72/401719972.db2.gz GAXRFQSEPZZTQL-HNNXBMFYSA-N 1 0 321.469 2.213 10 0 DEAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)c2ccccc2O1 ZINC000128968525 401797123 /nfs/dbraw/zinc/79/71/23/401797123.db2.gz XGUOTPBJEMTUNM-OCCSQVGLSA-N 1 0 309.431 2.456 10 0 DEAERO COCCOc1ccc(CNC(=O)C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000114473220 401801173 /nfs/dbraw/zinc/80/11/73/401801173.db2.gz VMQKXZDAPAWOCQ-CQSZACIVSA-N 1 0 322.449 2.352 10 0 DEAERO CN(Cc1ccco1)C(=O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000114723197 401807463 /nfs/dbraw/zinc/80/74/63/401807463.db2.gz CPFZMJPNCPSKCB-HNNXBMFYSA-N 1 0 302.378 2.188 10 0 DEAERO C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000127868533 401753354 /nfs/dbraw/zinc/75/33/54/401753354.db2.gz ONIUKKUFJMMNJC-TWMKSMIVSA-N 1 0 318.465 2.461 10 0 DEAERO CCC[C@H](C(=O)NCC(=O)Nc1cccc(CC)c1)[NH+](C)C ZINC000128088030 401762164 /nfs/dbraw/zinc/76/21/64/401762164.db2.gz XEESSWNWOBCWOD-OAHLLOKOSA-N 1 0 305.422 2.034 10 0 DEAERO O=C(NCCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1)C(F)(F)F ZINC000128081928 401762358 /nfs/dbraw/zinc/76/23/58/401762358.db2.gz SVBGSOFFPPTEST-VXGBXAGGSA-N 1 0 318.343 2.025 10 0 DEAERO CCOc1ccccc1OCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000075620586 401765188 /nfs/dbraw/zinc/76/51/88/401765188.db2.gz YUOFDPNFGIBQRF-CQSZACIVSA-N 1 0 306.406 2.017 10 0 DEAERO CSCCCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000128211011 401767076 /nfs/dbraw/zinc/76/70/76/401767076.db2.gz ZWHBNURDOOHNJM-UHFFFAOYSA-N 1 0 314.495 2.281 10 0 DEAERO COCCOc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113225535 401770332 /nfs/dbraw/zinc/77/03/32/401770332.db2.gz JDQVFEJHTQDHJE-GDBMZVCRSA-N 1 0 318.417 2.021 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000113232839 401771422 /nfs/dbraw/zinc/77/14/22/401771422.db2.gz ZZXIXTYLCMASDW-ZYHUDNBSSA-N 1 0 302.353 2.011 10 0 DEAERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)nn1C(C)(C)C ZINC000113230131 401771990 /nfs/dbraw/zinc/77/19/90/401771990.db2.gz ZSYONWJUBJOWPS-UONOGXRCSA-N 1 0 304.438 2.255 10 0 DEAERO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000075866109 401772190 /nfs/dbraw/zinc/77/21/90/401772190.db2.gz AMANBYDODNLHDN-MRXNPFEDSA-N 1 0 304.434 2.440 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(F)c(F)c1 ZINC000113270505 401774059 /nfs/dbraw/zinc/77/40/59/401774059.db2.gz KZTFBMJTZQSBOI-WCQYABFASA-N 1 0 309.360 2.072 10 0 DEAERO Cc1ccc(C)c(OC[C@H](O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113271387 401774703 /nfs/dbraw/zinc/77/47/03/401774703.db2.gz ZLQCSAJIMDBECN-OKZBNKHCSA-N 1 0 318.461 2.212 10 0 DEAERO C[C@@H]1C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000075977737 401775767 /nfs/dbraw/zinc/77/57/67/401775767.db2.gz OUGSVLQUKUSJBC-WBMJQRKESA-N 1 0 305.397 2.498 10 0 DEAERO COc1ccc(CCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000113576861 401782469 /nfs/dbraw/zinc/78/24/69/401782469.db2.gz IVXLNQYSYMAWKS-GDBMZVCRSA-N 1 0 317.433 2.116 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@H](COC)C2)CC1 ZINC000113609041 401784025 /nfs/dbraw/zinc/78/40/25/401784025.db2.gz FVBGZUBAVBTGCT-INIZCTEOSA-N 1 0 311.470 2.176 10 0 DEAERO Cc1csc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000113613670 401784153 /nfs/dbraw/zinc/78/41/53/401784153.db2.gz ZKUJVKQJWVMRDF-AVGNSLFASA-N 1 0 308.451 2.391 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000076298729 401789746 /nfs/dbraw/zinc/78/97/46/401789746.db2.gz ODRWSNAXINUUMY-KKUMJFAQSA-N 1 0 320.433 2.372 10 0 DEAERO Cc1cc(OC(F)F)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)s1 ZINC000114328134 401796567 /nfs/dbraw/zinc/79/65/67/401796567.db2.gz YTLSWGGQFVKKTH-SECBINFHSA-N 1 0 304.362 2.434 10 0 DEAERO O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000130281985 401826020 /nfs/dbraw/zinc/82/60/20/401826020.db2.gz KPSZDBNTWLLIFP-WZGPROSRSA-N 1 0 323.440 2.371 10 0 DEAERO CCOc1ncccc1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079196475 401871292 /nfs/dbraw/zinc/87/12/92/401871292.db2.gz FWSKWHNECAUFIT-OAHLLOKOSA-N 1 0 322.453 2.256 10 0 DEAERO COc1ccnc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000116021631 401840598 /nfs/dbraw/zinc/84/05/98/401840598.db2.gz BHDRQSKXDYFGAJ-AWEZNQCLSA-N 1 0 303.406 2.181 10 0 DEAERO CC[NH+](CC)CCCNS(=O)(=O)c1c(F)cccc1Cl ZINC000130947141 401841650 /nfs/dbraw/zinc/84/16/50/401841650.db2.gz UWKGCTJZPJVVPU-UHFFFAOYSA-N 1 0 322.833 2.489 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1c(F)cccc1Cl ZINC000131225073 401846393 /nfs/dbraw/zinc/84/63/93/401846393.db2.gz YBFIRXDZKJLYEM-JTQLQIEISA-N 1 0 322.833 2.488 10 0 DEAERO CC(=O)c1cccc(OCC(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000078337577 401847372 /nfs/dbraw/zinc/84/73/72/401847372.db2.gz QMIKHXCNALEBID-CQSZACIVSA-N 1 0 318.417 2.259 10 0 DEAERO COC(=O)[C@@H](C)C[N@H+](CCn1ccnc1)Cc1ccccc1 ZINC000131417212 401849718 /nfs/dbraw/zinc/84/97/18/401849718.db2.gz GZJDDALKRCRRGJ-HNNXBMFYSA-N 1 0 301.390 2.194 10 0 DEAERO CCOc1ccc(NC(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000079392119 401872179 /nfs/dbraw/zinc/87/21/79/401872179.db2.gz QZHAHEFQGBYAHE-UHFFFAOYSA-N 1 0 321.421 2.319 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](CC(=O)NCCC3=CCCCC3)C2)cn1 ZINC000116322085 401850176 /nfs/dbraw/zinc/85/01/76/401850176.db2.gz HPRSBIYTXVGBSO-INIZCTEOSA-N 1 0 316.449 2.216 10 0 DEAERO C[C@H](CNS(=O)(=O)c1c(F)cccc1Cl)[N@H+](C)C1CC1 ZINC000131538578 401852473 /nfs/dbraw/zinc/85/24/73/401852473.db2.gz LZOLHJVOPVEKKG-SECBINFHSA-N 1 0 320.817 2.240 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2)C[C@@H]1CC ZINC000116771776 401858854 /nfs/dbraw/zinc/85/88/54/401858854.db2.gz QGEFPQAXRSNCKS-KRWDZBQOSA-N 1 0 322.424 2.328 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000116786209 401859009 /nfs/dbraw/zinc/85/90/09/401859009.db2.gz ZVJQSGRPPXHTTH-ZDUSSCGKSA-N 1 0 316.323 2.108 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000116796177 401859121 /nfs/dbraw/zinc/85/91/21/401859121.db2.gz UJPNTPVVVNAHJQ-LLVKDONJSA-N 1 0 317.216 2.396 10 0 DEAERO Cc1ccc(CCCCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116789314 401859458 /nfs/dbraw/zinc/85/94/58/401859458.db2.gz JCKREYJNQMOPRG-SFHVURJKSA-N 1 0 318.461 2.497 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCOC[C@@H]1c1ccc(C)o1 ZINC000117031569 401867222 /nfs/dbraw/zinc/86/72/22/401867222.db2.gz XVVFTLBVEGPWDX-UKRRQHHQSA-N 1 0 323.437 2.401 10 0 DEAERO COC(=O)[C@H](O)C1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000132750721 401873137 /nfs/dbraw/zinc/87/31/37/401873137.db2.gz NTMWVKQOVPXEKE-RHSMWYFYSA-N 1 0 305.418 2.111 10 0 DEAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1cccc(Cl)c1 ZINC000043154929 401937461 /nfs/dbraw/zinc/93/74/61/401937461.db2.gz KBLFUJYAGTZSGR-AWEZNQCLSA-N 1 0 311.813 2.308 10 0 DEAERO CC[N@H+](CCNC(=O)N(C)CCc1ncc(C)s1)C1CC1 ZINC000119200562 401932329 /nfs/dbraw/zinc/93/23/29/401932329.db2.gz QLAWTAUPCFYVPG-UHFFFAOYSA-N 1 0 310.467 2.120 10 0 DEAERO CC[NH+]1CCN([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000042243084 401932528 /nfs/dbraw/zinc/93/25/28/401932528.db2.gz HWICCMVWJHCCSR-QGZVFWFLSA-N 1 0 317.477 2.450 10 0 DEAERO CCOC(=O)CCCC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000132947141 401876983 /nfs/dbraw/zinc/87/69/83/401876983.db2.gz JXQFMKATKBXRAT-OAHLLOKOSA-N 1 0 320.437 2.111 10 0 DEAERO CCOC(=O)CCCC[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000133046164 401878061 /nfs/dbraw/zinc/87/80/61/401878061.db2.gz LNUJAYURUXOEFN-MRXNPFEDSA-N 1 0 318.417 2.457 10 0 DEAERO C[C@@H](CNC(=O)[C@H]1CCCc2n[nH]cc21)C[NH+]1CCCCC1 ZINC000133327824 401881856 /nfs/dbraw/zinc/88/18/56/401881856.db2.gz LFWADQCSKYZKLJ-KBPBESRZSA-N 1 0 304.438 2.068 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000079921409 401883713 /nfs/dbraw/zinc/88/37/13/401883713.db2.gz BNEUHXWNYFHVHM-GOSISDBHSA-N 1 0 319.401 2.287 10 0 DEAERO c1ccc(SCC[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000117877141 401886287 /nfs/dbraw/zinc/88/62/87/401886287.db2.gz LRIOFSFUZXNFMT-UHFFFAOYSA-N 1 0 300.431 2.391 10 0 DEAERO CCC[C@H](C(=O)Nc1cccc(-n2cnnc2C)c1)[NH+](C)C ZINC000133454223 401887162 /nfs/dbraw/zinc/88/71/62/401887162.db2.gz BBNADTOGIPHBNO-OAHLLOKOSA-N 1 0 301.394 2.245 10 0 DEAERO Cn1nccc1C[NH2+]C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000080201564 401888698 /nfs/dbraw/zinc/88/86/98/401888698.db2.gz RRXBFSRHVZJYHZ-UHFFFAOYSA-N 1 0 308.426 2.347 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC1(O)CCCCCC1 ZINC000118061669 401890356 /nfs/dbraw/zinc/89/03/56/401890356.db2.gz LEGRSDCMVMCGEB-HNNXBMFYSA-N 1 0 313.486 2.347 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCC2CCCCC2)[C@H](C)C1 ZINC000081096818 401893453 /nfs/dbraw/zinc/89/34/53/401893453.db2.gz CDDIHJYJEQKMLG-WBVHZDCISA-N 1 0 309.498 2.345 10 0 DEAERO COC(=O)c1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1F ZINC000089122689 401935729 /nfs/dbraw/zinc/93/57/29/401935729.db2.gz YDLWNSSFZKOTPG-UHFFFAOYSA-N 1 0 318.352 2.041 10 0 DEAERO O=C(CCOC1CCOCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000084542734 401906911 /nfs/dbraw/zinc/90/69/11/401906911.db2.gz SSPWJMSYZQSQJD-MRXNPFEDSA-N 1 0 324.465 2.049 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(F)c2)CCO1 ZINC000118805115 401908855 /nfs/dbraw/zinc/90/88/55/401908855.db2.gz KEKWHDJIHSUPFN-LLVKDONJSA-N 1 0 315.776 2.273 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000118976883 401916415 /nfs/dbraw/zinc/91/64/15/401916415.db2.gz ONCUQGKHJPJGTA-BRWVUGGUSA-N 1 0 308.466 2.430 10 0 DEAERO CCc1cnccc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000119033508 401920697 /nfs/dbraw/zinc/92/06/97/401920697.db2.gz DRLOFMNGWMBRBU-UHFFFAOYSA-N 1 0 319.449 2.217 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+]CCc1nc(C)no1)CCCO2 ZINC000089518749 401950930 /nfs/dbraw/zinc/95/09/30/401950930.db2.gz OSRPHNMLPNLICH-AWEZNQCLSA-N 1 0 303.362 2.433 10 0 DEAERO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000135752162 401952896 /nfs/dbraw/zinc/95/28/96/401952896.db2.gz BRYIRLUABCCQPZ-QGZVFWFLSA-N 1 0 322.474 2.303 10 0 DEAERO Cc1csc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000045355510 401956626 /nfs/dbraw/zinc/95/66/26/401956626.db2.gz YPGOLRUVHCLBSL-UHFFFAOYSA-N 1 0 308.451 2.221 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)COc2ccccc2O)CC1 ZINC000119898672 401970480 /nfs/dbraw/zinc/97/04/80/401970480.db2.gz YPEADRVCFAONSU-UHFFFAOYSA-N 1 0 306.406 2.008 10 0 DEAERO COC(=O)CC(C)(C)CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000136662373 401971447 /nfs/dbraw/zinc/97/14/47/401971447.db2.gz LUCWIAUJTXVKHB-ZDUSSCGKSA-N 1 0 300.443 2.058 10 0 DEAERO COc1cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc2c1OCCO2 ZINC000091899089 401998357 /nfs/dbraw/zinc/99/83/57/401998357.db2.gz GLSJBZLVLXLMMI-KGLIPLIRSA-N 1 0 307.390 2.059 10 0 DEAERO Cc1cc(C)n(CC2CC[NH+](CC(=O)NC3CCCC3)CC2)n1 ZINC000090474099 401983660 /nfs/dbraw/zinc/98/36/60/401983660.db2.gz SETXGMFPGNVUHN-UHFFFAOYSA-N 1 0 318.465 2.271 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000137545006 401984629 /nfs/dbraw/zinc/98/46/29/401984629.db2.gz CDDZHOMNSPZAOM-UHFFFAOYSA-N 1 0 322.497 2.033 10 0 DEAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000090552729 401984851 /nfs/dbraw/zinc/98/48/51/401984851.db2.gz UQXIGTZKLRESSO-UHFFFAOYSA-N 1 0 316.445 2.321 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCc1ccccc1OC ZINC000047981512 401991922 /nfs/dbraw/zinc/99/19/22/401991922.db2.gz BGMMRNKTFXQRAV-CQSZACIVSA-N 1 0 307.438 2.267 10 0 DEAERO COC(=O)CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)CC(C)C ZINC000091922750 401999403 /nfs/dbraw/zinc/99/94/03/401999403.db2.gz GKZNODDMGNHRAF-UHFFFAOYSA-N 1 0 318.421 2.367 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCOCC(F)(F)F ZINC000119355418 401944238 /nfs/dbraw/zinc/94/42/38/401944238.db2.gz MDFZLBPJSMIAGS-GFCCVEGCSA-N 1 0 310.360 2.192 10 0 DEAERO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c(F)c1 ZINC000135556908 401944837 /nfs/dbraw/zinc/94/48/37/401944837.db2.gz WJMIHNBSDLPUDO-CYBMUJFWSA-N 1 0 317.364 2.335 10 0 DEAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](C)CS(C)(=O)=O)C12CCCC2 ZINC000119367706 401945125 /nfs/dbraw/zinc/94/51/25/401945125.db2.gz DNWJQMYWVAYJKQ-RBSFLKMASA-N 1 0 317.495 2.337 10 0 DEAERO C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000119401393 401947765 /nfs/dbraw/zinc/94/77/65/401947765.db2.gz AQOXDLBIFUSFRN-ZIAGYGMSSA-N 1 0 322.449 2.039 10 0 DEAERO CC(C)[NH2+][C@H](CCO)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088332 402025203 /nfs/dbraw/zinc/02/52/03/402025203.db2.gz QLXGBDSHOZHNRY-ZIAGYGMSSA-N 1 0 300.443 2.383 10 0 DEAERO COc1ccc(OC)c([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151255167 402026626 /nfs/dbraw/zinc/02/66/26/402026626.db2.gz FIWMOQDZZCEQQW-GJZGRUSLSA-N 1 0 322.449 2.201 10 0 DEAERO CN(C)[C@@H](C[NH3+])c1cc(Br)c(Br)o1 ZINC000050361648 402027321 /nfs/dbraw/zinc/02/73/21/402027321.db2.gz FUFDEKBTXKKTIN-LURJTMIESA-N 1 0 312.005 2.366 10 0 DEAERO O[C@@H](CN[C@H]1CSCCc2ccccc21)C[NH+]1CCCCC1 ZINC000151324057 402029509 /nfs/dbraw/zinc/02/95/09/402029509.db2.gz UFSQYTIXDUSHPL-WMZOPIPTSA-N 1 0 320.502 2.453 10 0 DEAERO Cn1nc(C(=O)N[C@@H]2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c2ccccc21 ZINC000095913224 402034697 /nfs/dbraw/zinc/03/46/97/402034697.db2.gz VUWPCONZAAXUOV-MGPQQGTHSA-N 1 0 312.417 2.318 10 0 DEAERO COc1ccc(OC)c(CN(C(=O)C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000151423241 402035626 /nfs/dbraw/zinc/03/56/26/402035626.db2.gz TVLQKUDSVCAPII-CQSZACIVSA-N 1 0 318.417 2.337 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCOc2ccccc2C)C1 ZINC000052561839 402044025 /nfs/dbraw/zinc/04/40/25/402044025.db2.gz FZNVALUEBHREDR-OAHLLOKOSA-N 1 0 305.422 2.157 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000121562871 402044799 /nfs/dbraw/zinc/04/47/99/402044799.db2.gz MDKPKFCNLWKHRH-XQQFMLRXSA-N 1 0 324.396 2.121 10 0 DEAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000120801449 402002630 /nfs/dbraw/zinc/00/26/30/402002630.db2.gz OULODAFJVQYOQR-QLFBSQMISA-N 1 0 316.511 2.462 10 0 DEAERO COCCC1(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CCC1 ZINC000120821350 402003480 /nfs/dbraw/zinc/00/34/80/402003480.db2.gz NQFXTUHEBRICHY-CABCVRRESA-N 1 0 311.470 2.221 10 0 DEAERO CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000152194467 402080940 /nfs/dbraw/zinc/08/09/40/402080940.db2.gz KRGWTELGHNNQKH-CJNGLKHVSA-N 1 0 308.397 2.454 10 0 DEAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000152220482 402082658 /nfs/dbraw/zinc/08/26/58/402082658.db2.gz NQZXGVHVLRYGAJ-AWEZNQCLSA-N 1 0 315.417 2.187 10 0 DEAERO C[C@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccccc2F)CC[N@@H+]1C ZINC000123311470 402120860 /nfs/dbraw/zinc/12/08/60/402120860.db2.gz MATFSKGNDDKTQQ-HOCLYGCPSA-N 1 0 321.440 2.199 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)O1 ZINC000152365486 402091785 /nfs/dbraw/zinc/09/17/85/402091785.db2.gz LLKCEMXHAHRBTQ-PBHICJAKSA-N 1 0 320.433 2.201 10 0 DEAERO COCC[N@@H+]1CCN(c2cnc3cc(F)c(F)cc3n2)C[C@@H]1C ZINC000122838957 402096895 /nfs/dbraw/zinc/09/68/95/402096895.db2.gz CWYFWDJLUCONTK-NSHDSACASA-N 1 0 322.359 2.065 10 0 DEAERO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000096993193 402100232 /nfs/dbraw/zinc/10/02/32/402100232.db2.gz UCLNSQYNYMQNLE-OAHLLOKOSA-N 1 0 317.433 2.204 10 0 DEAERO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000123321602 402121554 /nfs/dbraw/zinc/12/15/54/402121554.db2.gz PAVPYNGEIOJNPP-HOCLYGCPSA-N 1 0 319.449 2.438 10 0 DEAERO COc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000122927780 402101747 /nfs/dbraw/zinc/10/17/47/402101747.db2.gz AOVNYYSVDKUDQA-TZMCWYRMSA-N 1 0 306.406 2.259 10 0 DEAERO CC[C@@H]([NH2+]C[C@H](C)Cc1ccccc1)C(=O)N1CCOCC1 ZINC000152736941 402106699 /nfs/dbraw/zinc/10/66/99/402106699.db2.gz AKOHQFFTIUOZIA-NVXWUHKLSA-N 1 0 304.434 2.092 10 0 DEAERO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)NCC2CCCCC2)CCN1C ZINC000123131488 402112041 /nfs/dbraw/zinc/11/20/41/402112041.db2.gz VJKLPTMTDWCODA-WBVHZDCISA-N 1 0 309.498 2.488 10 0 DEAERO CC(C)[C@H](O)CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000152860450 402113190 /nfs/dbraw/zinc/11/31/90/402113190.db2.gz DUPBMHZUCQYBSW-HUUCEWRRSA-N 1 0 323.437 2.123 10 0 DEAERO CC[C@](C)(O)C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000123245049 402117487 /nfs/dbraw/zinc/11/74/87/402117487.db2.gz SQNSDZWTIARCGB-KRWDZBQOSA-N 1 0 303.406 2.128 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(N(C)C)n2)CC[N@@H+]1C ZINC000152961256 402119151 /nfs/dbraw/zinc/11/91/51/402119151.db2.gz WXEWYOMYPVDOFZ-QWHCGFSZSA-N 1 0 305.426 2.094 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2OCCOC)C1 ZINC000066338630 402131046 /nfs/dbraw/zinc/13/10/46/402131046.db2.gz ASRALZKNTTXPRD-AWEZNQCLSA-N 1 0 321.421 2.318 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCc3ccc(OC)cc3C2)C1 ZINC000066338826 402131198 /nfs/dbraw/zinc/13/11/98/402131198.db2.gz YUYNTVCBBDZGEJ-MRXNPFEDSA-N 1 0 317.433 2.247 10 0 DEAERO CCCC(=O)N1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123521353 402132300 /nfs/dbraw/zinc/13/23/00/402132300.db2.gz ZFGWZLRMVAEONE-OWCLPIDISA-N 1 0 323.481 2.109 10 0 DEAERO CC[C@@](C)(O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000123348445 402123377 /nfs/dbraw/zinc/12/33/77/402123377.db2.gz ZKNJYKLLFQOERN-QGZVFWFLSA-N 1 0 308.397 2.135 10 0 DEAERO Cc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c(C)c1 ZINC000123711113 402142365 /nfs/dbraw/zinc/14/23/65/402142365.db2.gz OGJJTCQYKDHRKX-KZNAEPCWSA-N 1 0 320.477 2.458 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000153497121 402149619 /nfs/dbraw/zinc/14/96/19/402149619.db2.gz WQWQBIGAKAZJON-JKSUJKDBSA-N 1 0 304.434 2.233 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000123887670 402152359 /nfs/dbraw/zinc/15/23/59/402152359.db2.gz SSQZAGRWJSVBCU-AWEZNQCLSA-N 1 0 314.389 2.499 10 0 DEAERO CC(C)[C@H](O)CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000153510985 402150396 /nfs/dbraw/zinc/15/03/96/402150396.db2.gz SZGHBQAVGMSZLF-DLBZAZTESA-N 1 0 319.449 2.140 10 0 DEAERO CC(C)[C@@H](C(=O)NCc1cccnc1N(C)C)[NH+]1CCCCC1 ZINC000067292465 402156293 /nfs/dbraw/zinc/15/62/93/402156293.db2.gz CGJDCWVZLFRKIL-INIZCTEOSA-N 1 0 318.465 2.274 10 0 DEAERO CCC[C@H](C(=O)N[C@H]1CCN(c2ccccc2OC)C1)[NH+](C)C ZINC000153932912 402181365 /nfs/dbraw/zinc/18/13/65/402181365.db2.gz WQSGVBIAZSQMCV-GOEBONIOSA-N 1 0 319.449 2.120 10 0 DEAERO Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1F ZINC000103323769 402185286 /nfs/dbraw/zinc/18/52/86/402185286.db2.gz UBBAIMCXYWNQQV-AWEZNQCLSA-N 1 0 323.412 2.165 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccsc1)c1ccccc1 ZINC000124595684 402187337 /nfs/dbraw/zinc/18/73/37/402187337.db2.gz 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C[NH2+]CCCC(=O)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000237132629 402396248 /nfs/dbraw/zinc/39/62/48/402396248.db2.gz HXNQBSGWVLQCQU-UHFFFAOYSA-N 1 0 304.434 2.476 10 0 DEAERO COC(=O)N1CCC([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)CC1 ZINC000186046142 402398203 /nfs/dbraw/zinc/39/82/03/402398203.db2.gz HGEYRVGCESWZTN-KBXCAEBGSA-N 1 0 320.433 2.351 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000237209211 402399568 /nfs/dbraw/zinc/39/95/68/402399568.db2.gz GTMHFWCHCVYHHU-XYPWUTKMSA-N 1 0 316.401 2.009 10 0 DEAERO COc1cccc(F)c1[C@H](C)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237288327 402402376 /nfs/dbraw/zinc/40/23/76/402402376.db2.gz FWEMQZKWKBMAOT-QWRGUYRKSA-N 1 0 312.410 2.107 10 0 DEAERO C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NCCC[NH3+] ZINC000237372145 402406393 /nfs/dbraw/zinc/40/63/93/402406393.db2.gz WWPOTLHUSDWZSU-CYBMUJFWSA-N 1 0 313.401 2.309 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CC3)CC2)C12CCOCC2 ZINC000186220430 402412036 /nfs/dbraw/zinc/41/20/36/402412036.db2.gz KGWONEBAEQDKCS-IAGOWNOFSA-N 1 0 308.466 2.177 10 0 DEAERO CCC[C@H](C(=O)NC[C@@H](C)Oc1ccccc1OC)[NH+](C)C ZINC000162332704 402416475 /nfs/dbraw/zinc/41/64/75/402416475.db2.gz KCLCTFDTRKUUKZ-ZIAGYGMSSA-N 1 0 308.422 2.309 10 0 DEAERO CCC(CC)N(CCOC)Cc1csc(CC(=O)NC)n1 ZINC000177595884 402419038 /nfs/dbraw/zinc/41/90/38/402419038.db2.gz OMHMEHORCCYJSQ-UHFFFAOYSA-N 1 0 313.467 2.069 10 0 DEAERO Cc1nc(-c2cccc(NC(=O)C[C@H]3CSCC[NH2+]3)c2)no1 ZINC000237820430 402422097 /nfs/dbraw/zinc/42/20/97/402422097.db2.gz KKFOPXYDSRCTRM-ZDUSSCGKSA-N 1 0 318.402 2.079 10 0 DEAERO [NH3+][C@@H](CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000237889434 402424517 /nfs/dbraw/zinc/42/45/17/402424517.db2.gz MBEQPOALTHHUBO-CABCVRRESA-N 1 0 312.369 2.033 10 0 DEAERO [NH3+][C@@H](CC(=O)NC1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000237881632 402424611 /nfs/dbraw/zinc/42/46/11/402424611.db2.gz KKZYWVJSJVXAJE-KRWDZBQOSA-N 1 0 324.428 2.257 10 0 DEAERO CCCn1nc(C)c(C[NH+]2CCC(C(=O)N(C)C)CC2)c1C ZINC000162583319 402425047 /nfs/dbraw/zinc/42/50/47/402425047.db2.gz WFEIRWHBKSRPGA-UHFFFAOYSA-N 1 0 306.454 2.210 10 0 DEAERO CCO[C@@H]1C[C@@H](N(C)Cc2nnc(C3CC3)n2C)C12CCC2 ZINC000177673368 402425734 /nfs/dbraw/zinc/42/57/34/402425734.db2.gz FVLMEPWPMPHLGC-ZIAGYGMSSA-N 1 0 304.438 2.472 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000177709771 402428896 /nfs/dbraw/zinc/42/88/96/402428896.db2.gz BOAIQYAPXRYMEO-RDJZCZTQSA-N 1 0 303.450 2.107 10 0 DEAERO Cc1ccc(C)c(OC[C@@H](O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177775744 402435211 /nfs/dbraw/zinc/43/52/11/402435211.db2.gz KYNUXFBYWDGHBB-MSOLQXFVSA-N 1 0 318.461 2.213 10 0 DEAERO C[C@H](NC(=O)CCCCCC[NH3+])c1cn(-c2ccccc2)nn1 ZINC000163149599 402442897 /nfs/dbraw/zinc/44/28/97/402442897.db2.gz FZYVBBBQNCXIKV-AWEZNQCLSA-N 1 0 315.421 2.354 10 0 DEAERO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1C[NH2+]CCO1 ZINC000163395768 402448403 /nfs/dbraw/zinc/44/84/03/402448403.db2.gz OSEUTCIBIAEBJJ-INIZCTEOSA-N 1 0 322.368 2.157 10 0 DEAERO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186618531 402448524 /nfs/dbraw/zinc/44/85/24/402448524.db2.gz YDXZGYRGXAQPJO-MRXNPFEDSA-N 1 0 318.417 2.432 10 0 DEAERO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCCC[NH3+] ZINC000237020285 402391609 /nfs/dbraw/zinc/39/16/09/402391609.db2.gz OFVOVFYMVKHXJI-LBPRGKRZSA-N 1 0 313.239 2.483 10 0 DEAERO C[NH2+]C1CCN(C(=O)CCc2ccc(OC(F)F)cc2)CC1 ZINC000237067736 402393568 /nfs/dbraw/zinc/39/35/68/402393568.db2.gz PXFRMANHQJVMMW-UHFFFAOYSA-N 1 0 312.360 2.431 10 0 DEAERO CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000246117581 402511574 /nfs/dbraw/zinc/51/15/74/402511574.db2.gz OXJPJKPKKWDOPU-CVEARBPZSA-N 1 0 303.406 2.292 10 0 DEAERO O=C1[C@H](N2CC[N@@H+]3CCCC[C@H]3C2)CCN1c1ccccc1F ZINC000246121899 402511805 /nfs/dbraw/zinc/51/18/05/402511805.db2.gz AYBHIRWSEFTJEL-WMLDXEAASA-N 1 0 317.408 2.101 10 0 DEAERO CC1(C)C[C@@H]([NH2+]Cc2cccnc2-n2cncn2)C(C)(C)O1 ZINC000178056578 402456193 /nfs/dbraw/zinc/45/61/93/402456193.db2.gz AVFAWFVFZMCGTB-CYBMUJFWSA-N 1 0 301.394 2.098 10 0 DEAERO COC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C)o1 ZINC000245422677 402459094 /nfs/dbraw/zinc/45/90/94/402459094.db2.gz ADNWDVYYPZBUKN-CFVMTHIKSA-N 1 0 323.437 2.400 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CSC[C@H]1CCCCO1 ZINC000245425058 402459106 /nfs/dbraw/zinc/45/91/06/402459106.db2.gz DKPBRKHZHTXXSO-LSDHHAIUSA-N 1 0 314.495 2.231 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)CCc1cccn1C ZINC000245430262 402459930 /nfs/dbraw/zinc/45/99/30/402459930.db2.gz ZPNJXJWMGQMHFH-WBVHZDCISA-N 1 0 320.481 2.472 10 0 DEAERO C[C@H](CO)[C@H](C)NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000245431601 402460343 /nfs/dbraw/zinc/46/03/43/402460343.db2.gz NEAMEWHBWRQWGI-PMPSAXMXSA-N 1 0 321.465 2.213 10 0 DEAERO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccc(Br)cc1 ZINC000164424340 402462580 /nfs/dbraw/zinc/46/25/80/402462580.db2.gz HZIYHHLDEYKJNU-NXEZZACHSA-N 1 0 311.223 2.482 10 0 DEAERO C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](N2CCOCC2)C1 ZINC000245462530 402463156 /nfs/dbraw/zinc/46/31/56/402463156.db2.gz GNIGSLOARWMVGB-UONOGXRCSA-N 1 0 307.438 2.440 10 0 DEAERO Cc1csc([C@H](C)CNC(=O)N2CCC[N@@H+](C3CC3)CC2)n1 ZINC000186798172 402464713 /nfs/dbraw/zinc/46/47/13/402464713.db2.gz LETVCAXQSVGVFS-GFCCVEGCSA-N 1 0 322.478 2.435 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000245479497 402464934 /nfs/dbraw/zinc/46/49/34/402464934.db2.gz WMUZFIHZVCKYIX-DLBZAZTESA-N 1 0 303.450 2.232 10 0 DEAERO CCN(CC)C(=O)[C@H](c1ccccc1)N(C)CC1(CO)CC1 ZINC000186818821 402466077 /nfs/dbraw/zinc/46/60/77/402466077.db2.gz FYSTTZHGWGJFIM-INIZCTEOSA-N 1 0 304.434 2.300 10 0 DEAERO CCc1ccc([C@@H](C)[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)o1 ZINC000165007818 402471731 /nfs/dbraw/zinc/47/17/31/402471731.db2.gz FIFLPXNNJATQNO-CJNGLKHVSA-N 1 0 308.422 2.376 10 0 DEAERO CC[C@H]1CN(CCC(=O)c2ccc(F)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245566485 402471724 /nfs/dbraw/zinc/47/17/24/402471724.db2.gz SWJCWKXHOVTSPL-YOEHRIQHSA-N 1 0 322.424 2.176 10 0 DEAERO COc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1F ZINC000245583426 402472200 /nfs/dbraw/zinc/47/22/00/402472200.db2.gz KQOREINFBPQNDJ-TZMCWYRMSA-N 1 0 306.381 2.391 10 0 DEAERO O=C(CC1CCC1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000245585284 402472470 /nfs/dbraw/zinc/47/24/70/402472470.db2.gz LULBWTAXHCKICD-ROUUACIJSA-N 1 0 316.445 2.176 10 0 DEAERO CC[C@H](CSC)[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000245601453 402473931 /nfs/dbraw/zinc/47/39/31/402473931.db2.gz PEBZNTODGYMDRU-KFWWJZLASA-N 1 0 314.495 2.230 10 0 DEAERO CN(c1cccnn1)C1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000186964687 402474687 /nfs/dbraw/zinc/47/46/87/402474687.db2.gz MCGFSGYZJBYMQZ-OAHLLOKOSA-N 1 0 304.438 2.335 10 0 DEAERO CC[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1cccc(F)c1 ZINC000165522036 402476872 /nfs/dbraw/zinc/47/68/72/402476872.db2.gz ILCUUWNLTFYHNH-AWEZNQCLSA-N 1 0 309.385 2.116 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000245673401 402478670 /nfs/dbraw/zinc/47/86/70/402478670.db2.gz INRYOFNDTSRFAZ-ZIAGYGMSSA-N 1 0 319.453 2.055 10 0 DEAERO Cc1ncc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)s1 ZINC000245673333 402478780 /nfs/dbraw/zinc/47/87/80/402478780.db2.gz FMKAVBXIHFKDGS-GXTWGEPZSA-N 1 0 306.435 2.131 10 0 DEAERO CC(C)Cc1ncc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)s1 ZINC000245686885 402479286 /nfs/dbraw/zinc/47/92/86/402479286.db2.gz AQYLYQLLULVYNM-KBPBESRZSA-N 1 0 311.495 2.229 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCc2cccc(Br)c2C1 ZINC000178574020 402513038 /nfs/dbraw/zinc/51/30/38/402513038.db2.gz VJDOOFDRVUVAJN-LBPRGKRZSA-N 1 0 323.234 2.476 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cnc3c(C)cccn23)C[C@H]1C ZINC000245720637 402482718 /nfs/dbraw/zinc/48/27/18/402482718.db2.gz HWVSWDWKHFUMQL-MRXNPFEDSA-N 1 0 316.449 2.185 10 0 DEAERO CCN(CCc1nccs1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245746625 402484896 /nfs/dbraw/zinc/48/48/96/402484896.db2.gz CSSDRXKNVHYXKH-ZIAGYGMSSA-N 1 0 324.494 2.446 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C ZINC000245754972 402485537 /nfs/dbraw/zinc/48/55/37/402485537.db2.gz OMNOOIAXVPTYOB-GJZGRUSLSA-N 1 0 318.461 2.287 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cncc(F)c1 ZINC000166603548 402485950 /nfs/dbraw/zinc/48/59/50/402485950.db2.gz AWDGWYHIDIYZFH-IUODEOHRSA-N 1 0 303.385 2.274 10 0 DEAERO CCOc1ncccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246158613 402513523 /nfs/dbraw/zinc/51/35/23/402513523.db2.gz CZVVZFMYPDXAKF-TZMCWYRMSA-N 1 0 306.410 2.331 10 0 DEAERO COC(=O)c1ccccc1CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000187264238 402490436 /nfs/dbraw/zinc/49/04/36/402490436.db2.gz JZMZLPFSWNIKFB-MRXNPFEDSA-N 1 0 302.418 2.186 10 0 DEAERO CC1(C)OCc2cc(C[NH2+][C@H]3CCc4ncnn4C3)ccc2O1 ZINC000187295761 402492278 /nfs/dbraw/zinc/49/22/78/402492278.db2.gz TYBPDYHFPOKDCI-AWEZNQCLSA-N 1 0 314.389 2.028 10 0 DEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@H]1CCCO1 ZINC000245864087 402492770 /nfs/dbraw/zinc/49/27/70/402492770.db2.gz PQXRUPKQPZULHC-NVXWUHKLSA-N 1 0 319.449 2.327 10 0 DEAERO CCC[C@H]1C[N@H+](C[C@@](C)(O)c2ccccc2)CCN1CCOC ZINC000245876995 402493361 /nfs/dbraw/zinc/49/33/61/402493361.db2.gz HQVCQAOZQCBYTB-RBUKOAKNSA-N 1 0 320.477 2.327 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000245931637 402498722 /nfs/dbraw/zinc/49/87/22/402498722.db2.gz QRJROVSZPZTPIW-BZPMIXESSA-N 1 0 322.836 2.442 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000245941296 402499832 /nfs/dbraw/zinc/49/98/32/402499832.db2.gz AVYHUQIXIUKNHH-QBPKDAKJSA-N 1 0 307.482 2.050 10 0 DEAERO Cc1cc(-c2noc(CN3CC[N@@H+]4CCC[C@@H]4C3)n2)ccc1F ZINC000178446626 402499886 /nfs/dbraw/zinc/49/98/86/402499886.db2.gz FPJSIPPBFMTMQT-CQSZACIVSA-N 1 0 316.380 2.464 10 0 DEAERO CCCOC(=O)[C@H](C)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000245950052 402500299 /nfs/dbraw/zinc/50/02/99/402500299.db2.gz BXWZYSLTXLATSO-QWHCGFSZSA-N 1 0 306.410 2.134 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cncc(C)c2)[C@@H](C)C1 ZINC000245994398 402502515 /nfs/dbraw/zinc/50/25/15/402502515.db2.gz XJECKVCZAZFZEK-HOCLYGCPSA-N 1 0 304.438 2.262 10 0 DEAERO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000245997075 402502518 /nfs/dbraw/zinc/50/25/18/402502518.db2.gz CNXOUWBGIBHGJF-GJZGRUSLSA-N 1 0 307.390 2.338 10 0 DEAERO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178514624 402505779 /nfs/dbraw/zinc/50/57/79/402505779.db2.gz NPXAVDMWIFDVTA-KGLIPLIRSA-N 1 0 312.454 2.201 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC[C@@H]1C ZINC000187618248 402505879 /nfs/dbraw/zinc/50/58/79/402505879.db2.gz ORRKMDQLJUBJOQ-OWCLPIDISA-N 1 0 311.470 2.175 10 0 DEAERO CCCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178514593 402506041 /nfs/dbraw/zinc/50/60/41/402506041.db2.gz SQXJWYBLFHBCRK-KGLIPLIRSA-N 1 0 312.454 2.345 10 0 DEAERO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)C1CC1 ZINC000178519633 402506851 /nfs/dbraw/zinc/50/68/51/402506851.db2.gz NBYPQEXGLISSNO-HNNXBMFYSA-N 1 0 307.482 2.099 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000246088173 402508434 /nfs/dbraw/zinc/50/84/34/402508434.db2.gz GJXUXZICTHXNEU-WFASDCNBSA-N 1 0 314.426 2.177 10 0 DEAERO O=C(Nc1nncs1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178806333 402542313 /nfs/dbraw/zinc/54/23/13/402542313.db2.gz RRTFDKNTWTZNDF-JQWIXIFHSA-N 1 0 307.423 2.019 10 0 DEAERO CCOC[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)C(C)C ZINC000189545790 402544202 /nfs/dbraw/zinc/54/42/02/402544202.db2.gz UUQRVTXYGIVTRU-MRXNPFEDSA-N 1 0 322.449 2.418 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000170968507 402546073 /nfs/dbraw/zinc/54/60/73/402546073.db2.gz ZSDQYTRIGFUDQI-MRXNPFEDSA-N 1 0 321.469 2.344 10 0 DEAERO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)N1CCO[C@@H]2CCCC[C@H]21 ZINC000247700729 402574817 /nfs/dbraw/zinc/57/48/17/402574817.db2.gz XUXCOLHXGUTGAN-MWDXBVQZSA-N 1 0 306.450 2.421 10 0 DEAERO COC(=O)c1coc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000171037768 402551772 /nfs/dbraw/zinc/55/17/72/402551772.db2.gz CGTDXQXCWVXZTK-GFCCVEGCSA-N 1 0 319.361 2.212 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000171079415 402555292 /nfs/dbraw/zinc/55/52/92/402555292.db2.gz YLTCBCSBXITHCM-HNNXBMFYSA-N 1 0 313.405 2.099 10 0 DEAERO C[C@@H]1CN(C(C)(C)CNC(=O)N2CCCC2(C)C)C[C@H](C)O1 ZINC000171098446 402557680 /nfs/dbraw/zinc/55/76/80/402557680.db2.gz XHEHYVIUQCIHEI-OKILXGFUSA-N 1 0 311.470 2.458 10 0 DEAERO CC[C@H](C)[C@@H](C)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000247137119 402558142 /nfs/dbraw/zinc/55/81/42/402558142.db2.gz MNCBPYTZDRAONE-GVDBMIGSSA-N 1 0 324.513 2.233 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000178951267 402558435 /nfs/dbraw/zinc/55/84/35/402558435.db2.gz RCGYXTMMYOVMFA-UHFFFAOYSA-N 1 0 323.245 2.366 10 0 DEAERO CC[NH+]1CCN(CCC(=O)Nc2cccc([C@H](C)OC)c2)CC1 ZINC000171130337 402560408 /nfs/dbraw/zinc/56/04/08/402560408.db2.gz XTPPZOUIPCUVHE-HNNXBMFYSA-N 1 0 319.449 2.360 10 0 DEAERO C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@@H](n2cncn2)C1 ZINC000247243417 402561383 /nfs/dbraw/zinc/56/13/83/402561383.db2.gz SODAUMIBBOVUFX-GDBMZVCRSA-N 1 0 319.453 2.000 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)Nc2nncs2)[C@@H]1c1ccccc1 ZINC000179015855 402565134 /nfs/dbraw/zinc/56/51/34/402565134.db2.gz HJEQUZCOZGRHBP-NEPJUHHUSA-N 1 0 303.391 2.105 10 0 DEAERO O[C@@]1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CCOC1 ZINC000179019961 402565148 /nfs/dbraw/zinc/56/51/48/402565148.db2.gz CSVRMVAFQHTRHQ-QGZVFWFLSA-N 1 0 302.349 2.129 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)C1 ZINC000247366506 402565275 /nfs/dbraw/zinc/56/52/75/402565275.db2.gz OWIRHZDBLYOESL-RPCCPQHDSA-N 1 0 302.418 2.396 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSCc1ccncc1 ZINC000247466922 402568150 /nfs/dbraw/zinc/56/81/50/402568150.db2.gz RHLYGUPPSKGZHG-HIFRSBDPSA-N 1 0 305.447 2.010 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000171213743 402568251 /nfs/dbraw/zinc/56/82/51/402568251.db2.gz VLMTWRUEDFEHNO-UHFFFAOYSA-N 1 0 313.829 2.060 10 0 DEAERO COc1cc(C)cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1O ZINC000247503497 402569721 /nfs/dbraw/zinc/56/97/21/402569721.db2.gz VGHOAKQKZHPINU-CHWSQXEVSA-N 1 0 304.390 2.018 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCOCC(F)(F)F)[C@@H](C)C1 ZINC000247510248 402570271 /nfs/dbraw/zinc/57/02/71/402570271.db2.gz VQODEJPEBKQVFK-RYUDHWBXSA-N 1 0 310.360 2.144 10 0 DEAERO Cc1cc(=O)oc2cc(OCC[N@@H+](C)CC3(CO)CC3)ccc12 ZINC000190035187 402572098 /nfs/dbraw/zinc/57/20/98/402572098.db2.gz IWOMZOAPDHGCAE-UHFFFAOYSA-N 1 0 317.385 2.185 10 0 DEAERO COCCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179108898 402573113 /nfs/dbraw/zinc/57/31/13/402573113.db2.gz FBVNBHSJKFPKBW-HOTGVXAUSA-N 1 0 305.422 2.158 10 0 DEAERO O=C(CCN1CC[N@@H+]2CCCC[C@H]2C1)N1CCc2ccccc21 ZINC000246180347 402516419 /nfs/dbraw/zinc/51/64/19/402516419.db2.gz KOIRPDBTHZWHDF-KRWDZBQOSA-N 1 0 313.445 2.136 10 0 DEAERO COC(=O)Cc1cccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000188264062 402518296 /nfs/dbraw/zinc/51/82/96/402518296.db2.gz YXVALMUZODQRBJ-AWEZNQCLSA-N 1 0 318.417 2.006 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000246248034 402520227 /nfs/dbraw/zinc/52/02/27/402520227.db2.gz DYLSPGOHOMZXCY-UZRORNOBSA-N 1 0 321.446 2.124 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1OCCc2ccccc21 ZINC000246253117 402520694 /nfs/dbraw/zinc/52/06/94/402520694.db2.gz JQRZGEJCKIOAAC-SOLBZPMBSA-N 1 0 314.429 2.386 10 0 DEAERO O=C(N[C@@H]1CCC[C@@H]1CCO)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000188515988 402521028 /nfs/dbraw/zinc/52/10/28/402521028.db2.gz AUVZNCRBYSZYMO-IXDOHACOSA-N 1 0 323.481 2.197 10 0 DEAERO C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000170823114 402529892 /nfs/dbraw/zinc/52/98/92/402529892.db2.gz XFANSWLDYDGKMG-CZUORRHYSA-N 1 0 315.417 2.136 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000246448312 402531201 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C/C=C/c1ccc(OCC(=O)N2CC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000170861249 402534211 /nfs/dbraw/zinc/53/42/11/402534211.db2.gz WPISYVFWEHUHFL-NFAHFFEMSA-N 1 0 318.417 2.270 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@H](O)COc2cc(C)ccc2C)CC[C@@H]1C ZINC000189368373 402535376 /nfs/dbraw/zinc/53/53/76/402535376.db2.gz WSRRTAPQAGLSRK-XYJFISCASA-N 1 0 307.434 2.400 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)CCc2ccc(OC(F)F)cc2)C1 ZINC000170867657 402535790 /nfs/dbraw/zinc/53/57/90/402535790.db2.gz ZFNWFCXMACMGSQ-ZDUSSCGKSA-N 1 0 312.360 2.383 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCCO1 ZINC000248127013 402583312 /nfs/dbraw/zinc/58/33/12/402583312.db2.gz VREATRBVZSKXNX-PVAVHDDUSA-N 1 0 317.433 2.252 10 0 DEAERO CCCCN(CCO)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248146564 402583352 /nfs/dbraw/zinc/58/33/52/402583352.db2.gz ZSMPEKLQGUKXPK-SJORKVTESA-N 1 0 319.449 2.236 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CSC[C@H]1CCCCO1 ZINC000171396912 402584415 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C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1COc2ccccc21 ZINC000179663506 402597777 /nfs/dbraw/zinc/59/77/77/402597777.db2.gz FKXDQOUAINWTTM-LZWOXQAQSA-N 1 0 315.417 2.041 10 0 DEAERO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)[C@H]1CCOC1 ZINC000179743342 402599874 /nfs/dbraw/zinc/59/98/74/402599874.db2.gz PMTGHRHQSFDFQN-KBPBESRZSA-N 1 0 305.422 2.392 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@H](O)COCC(C)C ZINC000171625363 402602622 /nfs/dbraw/zinc/60/26/22/402602622.db2.gz QHBSCIUALVPUOR-JKSUJKDBSA-N 1 0 309.454 2.207 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171639015 402604678 /nfs/dbraw/zinc/60/46/78/402604678.db2.gz QZVSKRYDEWEFGC-WCQYABFASA-N 1 0 309.360 2.072 10 0 DEAERO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171641219 402605275 /nfs/dbraw/zinc/60/52/75/402605275.db2.gz IFBLTKNAWBICKX-WMLDXEAASA-N 1 0 319.424 2.125 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc2c(c1)sc(=O)n2C ZINC000248733605 402605834 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C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)COC(C)(C)C)C1 ZINC000190658495 402616563 /nfs/dbraw/zinc/61/65/63/402616563.db2.gz REMBNTJDGOOAHM-MRXNPFEDSA-N 1 0 319.449 2.177 10 0 DEAERO Cc1cc2ncc([C@H](C)[NH2+]CC3(C)OCCCO3)c(C)n2n1 ZINC000190672519 402617850 /nfs/dbraw/zinc/61/78/50/402617850.db2.gz OBXKJGTVVPNUGV-LBPRGKRZSA-N 1 0 304.394 2.150 10 0 DEAERO CO[C@@H]1CC[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000249028126 402618111 /nfs/dbraw/zinc/61/81/11/402618111.db2.gz LGXHKOCNRJJQKB-YESZJQIVSA-N 1 0 319.449 2.026 10 0 DEAERO CCO[C@@H]1C[C@](O)(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1(C)C ZINC000249074952 402619688 /nfs/dbraw/zinc/61/96/88/402619688.db2.gz LOGGDBXYVSVVJH-AIANZEFSSA-N 1 0 311.466 2.346 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000249112666 402620838 /nfs/dbraw/zinc/62/08/38/402620838.db2.gz AVMKDGWCMDJIGB-HOCLYGCPSA-N 1 0 317.433 2.183 10 0 DEAERO COc1cccc(Cl)c1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000190746021 402621093 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Cc1ccccc1CNC(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249534756 402633468 /nfs/dbraw/zinc/63/34/68/402633468.db2.gz CCTGEXIOFKZYBH-RDTXWAMCSA-N 1 0 304.434 2.094 10 0 DEAERO CC[C@@]1(CO)CCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000190983768 402634498 /nfs/dbraw/zinc/63/44/98/402634498.db2.gz OPKHWAWCSUXNNM-DQPZFDDXSA-N 1 0 311.470 2.053 10 0 DEAERO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000249684095 402638229 /nfs/dbraw/zinc/63/82/29/402638229.db2.gz CTEFURTWYWHNGK-GOEBONIOSA-N 1 0 320.408 2.458 10 0 DEAERO C[N@@H+]1CCCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000249697177 402638602 /nfs/dbraw/zinc/63/86/02/402638602.db2.gz AHZHRNCESYRPBB-IRXDYDNUSA-N 1 0 302.418 2.318 10 0 DEAERO CCCOc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000181289040 402639918 /nfs/dbraw/zinc/63/99/18/402639918.db2.gz CUJLEXKJOZEOLP-INIZCTEOSA-N 1 0 321.421 2.270 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000249774241 402641704 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CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2COc3ccccc32)C1 ZINC000250216260 402645963 /nfs/dbraw/zinc/64/59/63/402645963.db2.gz UHXNZRYDRLDSFM-HIFRSBDPSA-N 1 0 303.406 2.151 10 0 DEAERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000191164032 402646905 /nfs/dbraw/zinc/64/69/05/402646905.db2.gz HJNVWQPOOJWLAF-KMFMINBZSA-N 1 0 316.401 2.289 10 0 DEAERO COCc1csc(NC(=O)N(CC[NH+](C)C)C(C)C)n1 ZINC000181892042 402659902 /nfs/dbraw/zinc/65/99/02/402659902.db2.gz WIHMPZLHURTGTE-UHFFFAOYSA-N 1 0 300.428 2.093 10 0 DEAERO CC(C)(C)OC(=O)CCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000181885434 402660127 /nfs/dbraw/zinc/66/01/27/402660127.db2.gz MMMUDSSQGUDMRV-AWEZNQCLSA-N 1 0 308.426 2.112 10 0 DEAERO Cc1nc(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)sc1C ZINC000173649961 402706565 /nfs/dbraw/zinc/70/65/65/402706565.db2.gz KTLGMWJFAVEGJL-GXFFZTMASA-N 1 0 308.451 2.138 10 0 DEAERO CC1CCN([C@H](CNC2=[NH+]CCCN2)c2cccs2)CC1 ZINC000261738381 402716607 /nfs/dbraw/zinc/71/66/07/402716607.db2.gz 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/nfs/dbraw/zinc/67/14/43/402671443.db2.gz FQUDMHUSPCBRNE-OAHLLOKOSA-N 1 0 306.450 2.499 10 0 DEAERO COC(=O)c1ccccc1OCC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000182213366 402672607 /nfs/dbraw/zinc/67/26/07/402672607.db2.gz XEKFLBLKRPFXGT-HUUCEWRRSA-N 1 0 320.433 2.267 10 0 DEAERO CCOCC[N@@H+]1CCN(c2noc(C(C)(C)C)n2)C[C@@H]1CC ZINC000182236976 402675209 /nfs/dbraw/zinc/67/52/09/402675209.db2.gz QRABJOMMDIIUGO-ZDUSSCGKSA-N 1 0 310.442 2.304 10 0 DEAERO CC[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1nccs1 ZINC000173922670 402719544 /nfs/dbraw/zinc/71/95/44/402719544.db2.gz HGPMRHPDCPSTIS-NSHDSACASA-N 1 0 322.438 2.174 10 0 DEAERO C[C@H](CNC(=O)[C@H]1CCCO[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000191564718 402678723 /nfs/dbraw/zinc/67/87/23/402678723.db2.gz YGRZZUYBNXEYAR-VYDXJSESSA-N 1 0 304.434 2.438 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C/C=C\c2cccc(F)c2)C[C@@H]1C ZINC000255169844 402680628 /nfs/dbraw/zinc/68/06/28/402680628.db2.gz IJSKIFUPHHKQBJ-SNPDBEFISA-N 1 0 320.408 2.143 10 0 DEAERO CC[C@@H]1CN(C(=O)/C=C\c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000255315114 402684086 /nfs/dbraw/zinc/68/40/86/402684086.db2.gz YCOVIZCDNQCPBW-WKPOEDDGSA-N 1 0 302.418 2.003 10 0 DEAERO c1csc(-c2cc(CN3CC[C@H](N4CCOCC4)C3)no2)c1 ZINC000173936660 402720127 /nfs/dbraw/zinc/72/01/27/402720127.db2.gz BNXZXMQIHWMDOC-AWEZNQCLSA-N 1 0 319.430 2.310 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000173380354 402695083 /nfs/dbraw/zinc/69/50/83/402695083.db2.gz YHMIJXXQSIPDPN-GDBMZVCRSA-N 1 0 322.449 2.465 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2nccn2CC(C)C)C1 ZINC000173458061 402698446 /nfs/dbraw/zinc/69/84/46/402698446.db2.gz UGUINCVTHCPSSK-HNNXBMFYSA-N 1 0 321.469 2.165 10 0 DEAERO COc1cccc(NC(=O)CC[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000173529578 402701329 /nfs/dbraw/zinc/70/13/29/402701329.db2.gz ZZVFUKCJRVMKMW-GDBMZVCRSA-N 1 0 319.449 2.438 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(CCSc2ccc(F)cc2)CC1 ZINC000174083526 402726320 /nfs/dbraw/zinc/72/63/20/402726320.db2.gz NUWOMJOCKYBDPM-OAHLLOKOSA-N 1 0 312.454 2.306 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)CCC(=O)OC(C)(C)C)CC1 ZINC000192388288 402726442 /nfs/dbraw/zinc/72/64/42/402726442.db2.gz MEUGZRHMPAOURM-UHFFFAOYSA-N 1 0 312.454 2.347 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000174163658 402729433 /nfs/dbraw/zinc/72/94/33/402729433.db2.gz FEWNVACTDKKJCE-UKRRQHHQSA-N 1 0 311.470 2.100 10 0 DEAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000192500796 402733143 /nfs/dbraw/zinc/73/31/43/402733143.db2.gz ZSYGWLSNDKIOLC-STDFNBFFSA-N 1 0 307.438 2.025 10 0 DEAERO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccc2c(c1)sc(=O)n2C ZINC000192637736 402741772 /nfs/dbraw/zinc/74/17/72/402741772.db2.gz GMRSJJCHHNUNQA-HNNXBMFYSA-N 1 0 319.474 2.372 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000174644026 402750282 /nfs/dbraw/zinc/75/02/82/402750282.db2.gz OCQDEKASSPVBPS-UHFFFAOYSA-N 1 0 310.442 2.148 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@@H]2c2cc(F)ccc2F)n1 ZINC000263276737 402753258 /nfs/dbraw/zinc/75/32/58/402753258.db2.gz SWMUZWFIFOSBFZ-SCDSUCTJSA-N 1 0 320.343 2.195 10 0 DEAERO C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@@H](O)c1ccc(F)cc1 ZINC000183613293 402781519 /nfs/dbraw/zinc/78/15/19/402781519.db2.gz HVRQIZPTMIQWCP-BDJLRTHQSA-N 1 0 317.364 2.139 10 0 DEAERO CC[C@@H](Oc1cccc(C)c1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263298571 402755844 /nfs/dbraw/zinc/75/58/44/402755844.db2.gz WTWGZLQLDDGYDN-HUUCEWRRSA-N 1 0 316.405 2.484 10 0 DEAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)CC2 ZINC000183319603 402756254 /nfs/dbraw/zinc/75/62/54/402756254.db2.gz WLGQGGNWZMEARP-HIFRSBDPSA-N 1 0 314.437 2.191 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC1CCC(C)CC1 ZINC000175052812 402774949 /nfs/dbraw/zinc/77/49/49/402774949.db2.gz CZIBZFVCGHFKNC-SJJHQCBESA-N 1 0 307.482 2.240 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCCOc1ccc(F)cc1F ZINC000183550034 402775837 /nfs/dbraw/zinc/77/58/37/402775837.db2.gz FLZFOKFFEGBLSX-UHFFFAOYSA-N 1 0 321.327 2.235 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000175065847 402776008 /nfs/dbraw/zinc/77/60/08/402776008.db2.gz SLYKFERYGQAEON-UHFFFAOYSA-N 1 0 304.438 2.236 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000183563831 402776087 /nfs/dbraw/zinc/77/60/87/402776087.db2.gz YHBDCMCPJLTKHR-UHFFFAOYSA-N 1 0 321.327 2.235 10 0 DEAERO CO[C@@H](C)c1noc(CN2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000175096941 402778655 /nfs/dbraw/zinc/77/86/55/402778655.db2.gz ZCHRWKMFSNODEL-ZDUSSCGKSA-N 1 0 308.426 2.085 10 0 DEAERO CN(C[C@H](c1cccs1)N1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000262100164 402722640 /nfs/dbraw/zinc/72/26/40/402722640.db2.gz VNDUNXHVQZKWJK-NVXWUHKLSA-N 1 0 323.506 2.053 10 0 DEAERO CC(C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262099942 402722647 /nfs/dbraw/zinc/72/26/47/402722647.db2.gz DPEGZOJZPNZBAT-ZACQAIPSSA-N 1 0 318.465 2.150 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(F)cc2nccnc21 ZINC000193954908 402779872 /nfs/dbraw/zinc/77/98/72/402779872.db2.gz VEEVQHSNDZSZSI-NSHDSACASA-N 1 0 304.369 2.229 10 0 DEAERO CC(C)N(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182881249 402724027 /nfs/dbraw/zinc/72/40/27/402724027.db2.gz RCDPHEYWMRHAGH-QGZVFWFLSA-N 1 0 319.449 2.193 10 0 DEAERO O=C(c1occc1Br)N1CCC[N@@H+](C2CC2)CC1 ZINC000175907258 402842081 /nfs/dbraw/zinc/84/20/81/402842081.db2.gz XKXLDITZOPNESU-UHFFFAOYSA-N 1 0 313.195 2.352 10 0 DEAERO CC[N@H+](CCC(=O)NC(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183747129 402794096 /nfs/dbraw/zinc/79/40/96/402794096.db2.gz JIQHEXIIPOBJPV-SFHVURJKSA-N 1 0 317.477 2.498 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000175390767 402802503 /nfs/dbraw/zinc/80/25/03/402802503.db2.gz ASCHPHXCQUMNOU-CYBMUJFWSA-N 1 0 318.389 2.070 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc3c2OCCO3)CC[N@@H+]1C ZINC000175415666 402804609 /nfs/dbraw/zinc/80/46/09/402804609.db2.gz APRFKTKOJLHWPL-OLZOCXBDSA-N 1 0 319.405 2.404 10 0 DEAERO CC[N@H+](CCO)CCNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000183955770 402808212 /nfs/dbraw/zinc/80/82/12/402808212.db2.gz QZFBBDPSFCLRLT-QZTJIDSGSA-N 1 0 318.461 2.344 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175477775 402810295 /nfs/dbraw/zinc/81/02/95/402810295.db2.gz KTJSRKMMRZWZNK-CABCVRRESA-N 1 0 321.469 2.163 10 0 DEAERO CCOC[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000175514548 402813745 /nfs/dbraw/zinc/81/37/45/402813745.db2.gz IEHLYBDQIPEWBN-IAGOWNOFSA-N 1 0 304.434 2.044 10 0 DEAERO CCc1ccc(C(=O)CCC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000194744807 402814415 /nfs/dbraw/zinc/81/44/15/402814415.db2.gz PQECQWVIUCBWHJ-MRXNPFEDSA-N 1 0 302.418 2.422 10 0 DEAERO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194744323 402814423 /nfs/dbraw/zinc/81/44/23/402814423.db2.gz GZUPHTRRGYRDBJ-INIZCTEOSA-N 1 0 312.417 2.313 10 0 DEAERO CCN(CC)C(=O)C[C@H](C)[NH2+]CC[C@@H]1c2ccccc2NC1=O ZINC000194815356 402817025 /nfs/dbraw/zinc/81/70/25/402817025.db2.gz MJBJPAZYKJDLPI-DZGCQCFKSA-N 1 0 317.433 2.349 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(O)c1 ZINC000194901103 402821700 /nfs/dbraw/zinc/82/17/00/402821700.db2.gz OWFWVWTXUWZTAG-ZFWWWQNUSA-N 1 0 300.406 2.445 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)c2cnn(C)c2C)CC1 ZINC000194941879 402823543 /nfs/dbraw/zinc/82/35/43/402823543.db2.gz DOFNPCUHSUFBDS-ZDUSSCGKSA-N 1 0 321.469 2.211 10 0 DEAERO Cn1c2ccc(CN3CCC[C@@H]([NH+](C)C)C3)cc2sc1=O ZINC000195003878 402826313 /nfs/dbraw/zinc/82/63/13/402826313.db2.gz JGNXDQGWOYZPTB-CYBMUJFWSA-N 1 0 305.447 2.126 10 0 DEAERO Cc1ccc(C)c(OCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000195076671 402830609 /nfs/dbraw/zinc/83/06/09/402830609.db2.gz BMOSJAIEAALXIC-INIZCTEOSA-N 1 0 302.418 2.379 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000175848588 402837975 /nfs/dbraw/zinc/83/79/75/402837975.db2.gz QCCHTWULMDGPOG-QGZVFWFLSA-N 1 0 317.389 2.146 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(C(=O)OC)co1 ZINC000183642673 402784825 /nfs/dbraw/zinc/78/48/25/402784825.db2.gz GZGSHEAKFVXALH-CYBMUJFWSA-N 1 0 308.378 2.061 10 0 DEAERO CCC1(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCC1 ZINC000176025167 402848613 /nfs/dbraw/zinc/84/86/13/402848613.db2.gz PFIHCTPKGWGUEW-INIZCTEOSA-N 1 0 307.482 2.195 10 0 DEAERO Cc1cn2cc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2n1 ZINC000265711613 402942193 /nfs/dbraw/zinc/94/21/93/402942193.db2.gz LTJWTLRBYAKTPW-CABCVRRESA-N 1 0 313.405 2.391 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)NC(C)(C)C ZINC000268767673 403111666 /nfs/dbraw/zinc/11/16/66/403111666.db2.gz RAOJHBZOBSPHBA-RDJZCZTQSA-N 1 0 317.477 2.401 10 0 DEAERO C[N@H+](CCNC(=O)[C@H]1CCO[C@@H]1c1cccnc1)C1CCCC1 ZINC000277282709 403200961 /nfs/dbraw/zinc/20/09/61/403200961.db2.gz PUGMZBFTBXRFEB-DLBZAZTESA-N 1 0 317.433 2.150 10 0 DEAERO c1ccc(CN2CC[C@@H]([NH+]3CCC(C4OCCO4)CC3)C2)cc1 ZINC000283633338 403211493 /nfs/dbraw/zinc/21/14/93/403211493.db2.gz AEVATMQLKKIINQ-GOSISDBHSA-N 1 0 316.445 2.346 10 0 DEAERO Cc1cc(NC(=O)N2CC(CO)C2)cnc1N1CCCC[C@H]1C ZINC000277388679 403212441 /nfs/dbraw/zinc/21/24/41/403212441.db2.gz JIUQFTBVXUIFLF-CYBMUJFWSA-N 1 0 318.421 2.225 10 0 DEAERO C[N@@H+]1CC[C@@H]2OCCN(c3ncnc4c5ccccc5oc43)[C@@H]2C1 ZINC000284426366 403267817 /nfs/dbraw/zinc/26/78/17/403267817.db2.gz AEXRXYFGGRFKCH-HIFRSBDPSA-N 1 0 324.384 2.285 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)sc1C ZINC000292135788 403302404 /nfs/dbraw/zinc/30/24/04/403302404.db2.gz YGTPIUSLSTVCKF-CQSZACIVSA-N 1 0 314.476 2.081 10 0 DEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cscc1Br ZINC000285852539 403394522 /nfs/dbraw/zinc/39/45/22/403394522.db2.gz IDMFDVNPMSCVSD-XCBNKYQSSA-N 1 0 303.225 2.267 10 0 DEAERO CC(=O)c1ccc(CC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000298705157 403444049 /nfs/dbraw/zinc/44/40/49/403444049.db2.gz CHDVERNXKNSJRH-AWEZNQCLSA-N 1 0 302.418 2.422 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc2c1OCCO2 ZINC000294063619 403637574 /nfs/dbraw/zinc/63/75/74/403637574.db2.gz XZISAGBTFUUKMP-MRXNPFEDSA-N 1 0 319.401 2.346 10 0 DEAERO 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C[C@@H]1CN(C(=O)c2ccc(F)c(Br)c2)C[C@@H]1C[NH3+] ZINC000638885028 405739540 /nfs/dbraw/zinc/73/95/40/405739540.db2.gz AKWAXEPWGCDRJC-SCZZXKLOSA-N 1 0 315.186 2.255 10 0 DEAERO C[C@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000638885634 405740694 /nfs/dbraw/zinc/74/06/94/405740694.db2.gz DDUAYRDNUAWPJS-UWVGGRQHSA-N 1 0 317.216 2.425 10 0 DEAERO c1ccc(OCCCCN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000494690440 405748181 /nfs/dbraw/zinc/74/81/81/405748181.db2.gz KVEQPTUEUWURSD-GOSISDBHSA-N 1 0 318.461 2.500 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638899883 405748864 /nfs/dbraw/zinc/74/88/64/405748864.db2.gz FNGBNWOSDBBHRS-VXNVDRBHSA-N 1 0 301.184 2.017 10 0 DEAERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C)C(=O)CC1CCC1 ZINC000583619533 405776514 /nfs/dbraw/zinc/77/65/14/405776514.db2.gz GNPMPCOBANYBSN-MAUKXSAKSA-N 1 0 318.465 2.452 10 0 DEAERO Cc1ccccc1CC(=O)N1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000494992708 405795841 /nfs/dbraw/zinc/79/58/41/405795841.db2.gz 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/nfs/dbraw/zinc/95/57/38/405955738.db2.gz QUPBSIGVXJONCF-MRVPVSSYSA-N 1 0 323.256 2.268 10 0 DEAERO Cc1cc(NC(=O)NC[C@@H]2C[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000531189475 405922467 /nfs/dbraw/zinc/92/24/67/405922467.db2.gz BIJKJYCUYYOEDY-YPMHNXCESA-N 1 0 305.426 2.236 10 0 DEAERO c1nc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)cc2c1OCCO2 ZINC000639344716 406057743 /nfs/dbraw/zinc/05/77/43/406057743.db2.gz BFIVYJFUHXRXAD-MRXNPFEDSA-N 1 0 317.433 2.349 10 0 DEAERO c1ccc2c(c1)CC(C[NH2+]Cc1nnc(C3CCOCC3)[nH]1)C2 ZINC000639377292 406071957 /nfs/dbraw/zinc/07/19/57/406071957.db2.gz LFPFUVYWDHTKGT-UHFFFAOYSA-N 1 0 312.417 2.203 10 0 DEAERO CO[C@H](C)[C@@H](C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000519493503 406200982 /nfs/dbraw/zinc/20/09/82/406200982.db2.gz AVCVYJADBPCUBZ-NYTXWWLZSA-N 1 0 309.454 2.068 10 0 DEAERO Cn1ncc(Br)c1CN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487331635 406225419 /nfs/dbraw/zinc/22/54/19/406225419.db2.gz YGLLFRPMSFDNDN-QWRGUYRKSA-N 1 0 315.259 2.145 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000487533374 406242449 /nfs/dbraw/zinc/24/24/49/406242449.db2.gz DRCSWRCARUTESH-ZWNOBZJWSA-N 1 0 314.227 2.230 10 0 DEAERO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]CC(C)(C)F)cc1 ZINC000634723325 406247750 /nfs/dbraw/zinc/24/77/50/406247750.db2.gz KNCFHWJLVHOWLX-HNNXBMFYSA-N 1 0 311.397 2.286 10 0 DEAERO Cc1cc(C[C@H](C)NC(=O)NCC2([NH+](C)C)CCCCC2)[nH]n1 ZINC000487546807 406243321 /nfs/dbraw/zinc/24/33/21/406243321.db2.gz ZKOAOAXJBACIOK-ZDUSSCGKSA-N 1 0 321.469 2.213 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000546565675 406363091 /nfs/dbraw/zinc/36/30/91/406363091.db2.gz GCIQRGTVBHBIOO-DLBZAZTESA-N 1 0 323.481 2.389 10 0 DEAERO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)cc1 ZINC000545242412 406307116 /nfs/dbraw/zinc/30/71/16/406307116.db2.gz JUIDDHJFOZQHAJ-CZUORRHYSA-N 1 0 311.447 2.183 10 0 DEAERO CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000547690810 406434059 /nfs/dbraw/zinc/43/40/59/406434059.db2.gz IMSAPWHTJBIVLH-INIZCTEOSA-N 1 0 318.446 2.027 10 0 DEAERO Cc1nc2ccccc2n1CCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000548452626 406517421 /nfs/dbraw/zinc/51/74/21/406517421.db2.gz RQNBWNPREYUFAS-AWEZNQCLSA-N 1 0 314.433 2.193 10 0 DEAERO c1ccc(N2CC[C@H](C[N@@H+]3CCO[C@H]([C@@H]4CCCO4)C3)C2)cc1 ZINC000638172368 406605012 /nfs/dbraw/zinc/60/50/12/406605012.db2.gz ZWIFFFWYBWCQNY-NEWSRXKRSA-N 1 0 316.445 2.393 10 0 DEAERO c1ccc(N2CC[C@H](C[N@@H+]3CCO[C@@H]([C@@H]4CCCO4)C3)C2)cc1 ZINC000638172369 406605152 /nfs/dbraw/zinc/60/51/52/406605152.db2.gz ZWIFFFWYBWCQNY-NZSAHSFTSA-N 1 0 316.445 2.393 10 0 DEAERO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638181815 406611406 /nfs/dbraw/zinc/61/14/06/406611406.db2.gz JEAVOHFTKNSGSO-QZTJIDSGSA-N 1 0 315.461 2.313 10 0 DEAERO c1ccc([C@@H](CN2CCOCC2)[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000638312473 406690878 /nfs/dbraw/zinc/69/08/78/406690878.db2.gz GQBOTUGWIPUTPP-QZTJIDSGSA-N 1 0 304.434 2.219 10 0 DEAERO CCC(C)(C)[C@H](C)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638408511 406754641 /nfs/dbraw/zinc/75/46/41/406754641.db2.gz ZJSNRFFSIDMTOV-HOCLYGCPSA-N 1 0 305.466 2.387 10 0 DEAERO C([NH2+]C[C@@]1(N2CCOCC2)CCSC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638408967 406754810 /nfs/dbraw/zinc/75/48/10/406754810.db2.gz MDFRUYHUWBGALT-NCOADZHNSA-N 1 0 310.507 2.220 10 0 DEAERO Cn1ncc(NC(=[NH2+])NCc2ccccc2)c1Br ZINC000575451294 406811111 /nfs/dbraw/zinc/81/11/11/406811111.db2.gz TUEZTFWHNRAZFZ-UHFFFAOYSA-N 1 0 308.183 2.319 10 0 DEAERO O=C([C@H]1C[NH2+]CCOC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000643614411 407016839 /nfs/dbraw/zinc/01/68/39/407016839.db2.gz VQFDQTKCRANHPD-IBGZPJMESA-N 1 0 324.424 2.451 10 0 DEAERO CCc1nn(CC)c(CN2CC[C@H]([NH2+]C)C2)c1Br ZINC000129022734 196012830 /nfs/dbraw/zinc/01/28/30/196012830.db2.gz SYJUBJHSBJLKJN-JTQLQIEISA-N 1 0 315.259 2.022 10 0 DEAERO CC(C)OC(=O)COc1ccc(Br)c(CC[NH3+])c1 ZINC000129167078 196025456 /nfs/dbraw/zinc/02/54/56/196025456.db2.gz WLGANYVKRHYPHM-UHFFFAOYSA-N 1 0 316.195 2.281 10 0 DEAERO CCOC(=O)[C@@H](C)Oc1ccc(Br)c(CC[NH3+])c1 ZINC000129209112 196029240 /nfs/dbraw/zinc/02/92/40/196029240.db2.gz JPGHJFQRCANNAZ-SECBINFHSA-N 1 0 316.195 2.281 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000129260262 196033997 /nfs/dbraw/zinc/03/39/97/196033997.db2.gz DDRHQRZANXYTNJ-INIZCTEOSA-N 1 0 316.449 2.041 10 0 DEAERO NC1=[NH+]C[C@H]([C@@H]2CCCO2)N1c1ccccc1Br ZINC000129271192 196034809 /nfs/dbraw/zinc/03/48/09/196034809.db2.gz VHEGOWKWUCGLRW-NEPJUHHUSA-N 1 0 310.195 2.131 10 0 DEAERO CC(C)([NH3+])CNC(=O)c1cc(Br)cn1C1CC1 ZINC000129604543 196061189 /nfs/dbraw/zinc/06/11/89/196061189.db2.gz FYNJNJIEJRRKGN-UHFFFAOYSA-N 1 0 300.200 2.053 10 0 DEAERO Cc1ccc([C@H](C)N(C)C(=O)C(C)(C)N2CC[NH2+]CC2)s1 ZINC000129663477 196066229 /nfs/dbraw/zinc/06/62/29/196066229.db2.gz YOBIMVIEDVVJPH-ZDUSSCGKSA-N 1 0 309.479 2.260 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CCC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129674749 196066770 /nfs/dbraw/zinc/06/67/70/196066770.db2.gz TZKSSNBUKVCAHL-XHSDSOJGSA-N 1 0 316.511 2.462 10 0 DEAERO CCC[NH2+][C@H](C)c1c(OC)cccc1N1CCS(=O)CC1 ZINC000129715277 196070487 /nfs/dbraw/zinc/07/04/87/196070487.db2.gz OHWHMNHVJYPCMD-CYBMUJFWSA-N 1 0 310.463 2.325 10 0 DEAERO C[NH2+]C1(C)CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000129795323 196076296 /nfs/dbraw/zinc/07/62/96/196076296.db2.gz ZYUCNSMESWOYQR-UHFFFAOYSA-N 1 0 314.227 2.002 10 0 DEAERO Brc1cnc(CC2C[NH2+]C2)c(Br)c1 ZINC000129814566 196078615 /nfs/dbraw/zinc/07/86/15/196078615.db2.gz AOKPTUJEKGEPFT-UHFFFAOYSA-N 1 0 306.001 2.369 10 0 DEAERO CC[NH+]1CCC(CNc2cc(OC)ccc2C(N)=S)CC1 ZINC000130606086 196095060 /nfs/dbraw/zinc/09/50/60/196095060.db2.gz ZLVRVMBCDZIGNE-UHFFFAOYSA-N 1 0 307.463 2.473 10 0 DEAERO CC(C)Cn1ncnc1C[C@H]([NH3+])c1ccc(Br)cn1 ZINC000130779516 196108958 /nfs/dbraw/zinc/10/89/58/196108958.db2.gz ZUEDIKSIGBGLBG-NSHDSACASA-N 1 0 324.226 2.334 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)C(=O)NCC(F)(F)F ZINC000130832722 196113928 /nfs/dbraw/zinc/11/39/28/196113928.db2.gz OVOUDOBQYCCHBV-ONGXEEELSA-N 1 0 302.296 2.167 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c(C)s1 ZINC000130985551 196129806 /nfs/dbraw/zinc/12/98/06/196129806.db2.gz QDZMEUZHCWMLHP-ZDUSSCGKSA-N 1 0 304.481 2.407 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCC[C@@H](C)SC)cc1 ZINC000130937460 196124230 /nfs/dbraw/zinc/12/42/30/196124230.db2.gz YRNCYMRCPQKEKP-NEPJUHHUSA-N 1 0 316.492 2.387 10 0 DEAERO CCc1nsc(S[C@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O)n1 ZINC000131067233 196136948 /nfs/dbraw/zinc/13/69/48/196136948.db2.gz HCNDGGCNIQKAPQ-RNCFNFMXSA-N 1 0 316.496 2.213 10 0 DEAERO CCc1nsc(S[C@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)n1 ZINC000131067604 196137139 /nfs/dbraw/zinc/13/71/39/196137139.db2.gz HCNDGGCNIQKAPQ-NOZJJQNGSA-N 1 0 316.496 2.213 10 0 DEAERO CCc1nn(CCCS(C)(=O)=O)c(CC)c1[C@H](CC)[NH2+]C ZINC000131093953 196139879 /nfs/dbraw/zinc/13/98/79/196139879.db2.gz KHKIDQZOQCGAKV-LBPRGKRZSA-N 1 0 315.483 2.113 10 0 DEAERO CC[NH2+][C@H](CC)c1c(CC)nn(CCS(C)(=O)=O)c1CC ZINC000131144620 196143136 /nfs/dbraw/zinc/14/31/36/196143136.db2.gz ZZRUIUXMLBHNCI-GFCCVEGCSA-N 1 0 315.483 2.113 10 0 DEAERO O=S1(=O)CC[C@@H](CNC2=[NH+]CC3(CCCCC3)CS2)C1 ZINC000131142260 196143816 /nfs/dbraw/zinc/14/38/16/196143816.db2.gz FBPXDJPMVCYELJ-LBPRGKRZSA-N 1 0 316.492 2.064 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NCCCC(F)(F)F)ccc1C ZINC000131219845 196151055 /nfs/dbraw/zinc/15/10/55/196151055.db2.gz IKIHWNSFQRJXIN-UHFFFAOYSA-N 1 0 324.368 2.335 10 0 DEAERO CC[NH2+]Cc1cccc(S(=O)(=O)NCCCC(F)(F)F)c1 ZINC000131229183 196152359 /nfs/dbraw/zinc/15/23/59/196152359.db2.gz REGBOKIJDRGOEX-UHFFFAOYSA-N 1 0 324.368 2.417 10 0 DEAERO CC(C)Oc1nc(NCCCCC(F)(F)F)nc(NN)[nH+]1 ZINC000131283446 196157264 /nfs/dbraw/zinc/15/72/64/196157264.db2.gz HDRRPWJKKHMAEU-UHFFFAOYSA-N 1 0 308.308 2.089 10 0 DEAERO CC[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N1CC[C@H](CC)C1 ZINC000131366395 196162851 /nfs/dbraw/zinc/16/28/51/196162851.db2.gz HPJWMURANWXNFS-ZDUSSCGKSA-N 1 0 314.451 2.427 10 0 DEAERO CC1COC(C[NH3+])(c2ccc(Br)cc2F)OC1 ZINC000131398775 196165054 /nfs/dbraw/zinc/16/50/54/196165054.db2.gz QFBIVKURTIBLSX-UHFFFAOYSA-N 1 0 304.159 2.383 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)C[C@H](C)c2ccccc2F)CC1 ZINC000131468524 196171733 /nfs/dbraw/zinc/17/17/33/196171733.db2.gz KMCZBGWFQBEBJK-LSDHHAIUSA-N 1 0 322.424 2.234 10 0 DEAERO C[C@H](O)C[C@@H]1CCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000131901895 196209039 /nfs/dbraw/zinc/20/90/39/196209039.db2.gz FKILZVOEXYBGCE-LBDPXKHJSA-N 1 0 311.470 2.052 10 0 DEAERO COC[C@H](C)[C@H](C[NH3+])N1CCN(c2ccccc2Cl)CC1 ZINC000131934514 196211667 /nfs/dbraw/zinc/21/16/67/196211667.db2.gz RHHCSIVPUFLUDM-BBRMVZONSA-N 1 0 311.857 2.072 10 0 DEAERO Cc1c(CCC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cnn1C ZINC000131952625 196213431 /nfs/dbraw/zinc/21/34/31/196213431.db2.gz CVXVGFUULQBPSZ-KRWDZBQOSA-N 1 0 318.465 2.138 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1[C@@H](O)C1CCCC1 ZINC000132131337 196228860 /nfs/dbraw/zinc/22/88/60/196228860.db2.gz KZURTXYOZQOAQC-ZDUSSCGKSA-N 1 0 316.243 2.431 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(O[C@H](C)C(=O)NCCOC)c(Cl)c1 ZINC000132378806 196250570 /nfs/dbraw/zinc/25/05/70/196250570.db2.gz KJWWKDSHEJDWDG-WDEREUQCSA-N 1 0 314.813 2.150 10 0 DEAERO CS(=O)(=O)CC[C@H]([NH3+])c1csc(-c2ccsc2)n1 ZINC000132388716 196251800 /nfs/dbraw/zinc/25/18/00/196251800.db2.gz DLCJQRORLZWBDX-VIFPVBQESA-N 1 0 302.446 2.306 10 0 DEAERO CC[C@H](CSC)NS(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000133237742 196323757 /nfs/dbraw/zinc/32/37/57/196323757.db2.gz RPFJBBXTCRJYIU-DGCLKSJQSA-N 1 0 316.492 2.387 10 0 DEAERO C[NH2+]C1(C)CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000133279836 196326987 /nfs/dbraw/zinc/32/69/87/196326987.db2.gz QLSHJUZIADLSSJ-CYBMUJFWSA-N 1 0 310.463 2.225 10 0 DEAERO COCC[NH2+]Cc1cnc(N2CCS[C@H](C)[C@@H]2C)c(C)c1 ZINC000133290672 196327854 /nfs/dbraw/zinc/32/78/54/196327854.db2.gz VSWBRICODOOAGH-UONOGXRCSA-N 1 0 309.479 2.456 10 0 DEAERO CC(=O)NC1CCN([C@@H](c2ccc(Cl)cc2)[C@H](C)[NH3+])CC1 ZINC000133750630 196333830 /nfs/dbraw/zinc/33/38/30/196333830.db2.gz BATFFQORAXMLDB-MEDUHNTESA-N 1 0 309.841 2.329 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H](COc2ncc(Cl)cc2Br)O1 ZINC000133853258 196340530 /nfs/dbraw/zinc/34/05/30/196340530.db2.gz NZYKSGPZYXQVJF-CBAPKCEASA-N 1 0 321.602 2.253 10 0 DEAERO COc1cccc(C2CC([NH2+]C[C@H]3CCCS3(=O)=O)C2)c1 ZINC000133915266 196345325 /nfs/dbraw/zinc/34/53/25/196345325.db2.gz RLWKBLPZTOQUPI-ZBCRRDGASA-N 1 0 309.431 2.108 10 0 DEAERO C1COC2(CCC[N@@H+]([C@@H]3CCOC4(CCSCC4)C3)C2)O1 ZINC000134026447 196355208 /nfs/dbraw/zinc/35/52/08/196355208.db2.gz TWSDSMZMVFCTSH-CQSZACIVSA-N 1 0 313.463 2.270 10 0 DEAERO CC[NH2+][C@H](c1c(Cl)cnn1CCOC)[C@@H]1CCO[C@@H]1C ZINC000134047751 196356986 /nfs/dbraw/zinc/35/69/86/196356986.db2.gz NPAJHRDUXAIPFA-WZRBSPASSA-N 1 0 301.818 2.259 10 0 DEAERO COc1ccc(Br)c(C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000134346398 196381044 /nfs/dbraw/zinc/38/10/44/196381044.db2.gz GXDNLPXROWTRKA-CQSZACIVSA-N 1 0 314.223 2.457 10 0 DEAERO C[N@@H+]1CCC[C@]2(CC(=O)NC(=O)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000134372598 196382914 /nfs/dbraw/zinc/38/29/14/196382914.db2.gz XFHDVBNPKNLJOK-HOCLYGCPSA-N 1 0 306.793 2.182 10 0 DEAERO CC(C)[NH+](CCCNC(=O)[C@@H]1CCCc2n[nH]cc21)C(C)C ZINC000134450615 196392510 /nfs/dbraw/zinc/39/25/10/196392510.db2.gz QOVFFDPKVDTCNT-CQSZACIVSA-N 1 0 306.454 2.455 10 0 DEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(I)o1 ZINC000134534318 196399189 /nfs/dbraw/zinc/39/91/89/196399189.db2.gz HPLNSKADPNBFHD-VXNVDRBHSA-N 1 0 307.131 2.151 10 0 DEAERO [NH3+]C[C@@H]1OCCN(C2CC2)[C@@H]1c1sccc1Br ZINC000135540126 196485373 /nfs/dbraw/zinc/48/53/73/196485373.db2.gz XZNNSAGYUPDKKF-QWRGUYRKSA-N 1 0 317.252 2.374 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1O[C@@H]1CCCC[C@@H]1[NH3+] ZINC000136447011 196537455 /nfs/dbraw/zinc/53/74/55/196537455.db2.gz BROFFCUOAGVIRQ-CMPLNLGQSA-N 1 0 302.296 2.453 10 0 DEAERO CCOC(=O)[C@@H]1CCc2sc(NCCCC[NH+](C)C)nc21 ZINC000136690821 196548292 /nfs/dbraw/zinc/54/82/92/196548292.db2.gz AVPBVFLRQPCAQM-LLVKDONJSA-N 1 0 311.451 2.490 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)c1cc(C)nnc1CC ZINC000137315653 196571944 /nfs/dbraw/zinc/57/19/44/196571944.db2.gz QXEYDJWWGVGOHQ-HNNXBMFYSA-N 1 0 313.467 2.213 10 0 DEAERO O[C@H](C[NH2+]C1CC1)COc1ccc(F)c(Br)c1 ZINC000137535629 196577053 /nfs/dbraw/zinc/57/70/53/196577053.db2.gz YKSAREGSBJKSCE-SECBINFHSA-N 1 0 304.159 2.080 10 0 DEAERO O=C(NCC1CC1)c1cc(Cl)ccc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000151194243 196646000 /nfs/dbraw/zinc/64/60/00/196646000.db2.gz FJZNLNGUFHWUTD-NSHDSACASA-N 1 0 321.808 2.028 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000189961001 225070574 /nfs/dbraw/zinc/07/05/74/225070574.db2.gz KEDZJKKRJOGQJX-UONOGXRCSA-N 1 0 320.437 2.182 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000195335632 225203597 /nfs/dbraw/zinc/20/35/97/225203597.db2.gz GRMXNFIPBGWMMW-WQVCFCJDSA-N 1 0 308.397 2.217 10 0 DEAERO C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)c1cccc(-n2ccnc2)c1 ZINC000291104667 222140486 /nfs/dbraw/zinc/14/04/86/222140486.db2.gz JSKUWEMZIPPUAH-CYBMUJFWSA-N 1 0 319.430 2.100 10 0 DEAERO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000262396639 287586437 /nfs/dbraw/zinc/58/64/37/287586437.db2.gz BWNRBOCVVUDOCP-TWMKSMIVSA-N 1 0 307.482 2.227 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](c2cc(N)n[nH]2)C1 ZINC000616630054 422516586 /nfs/dbraw/zinc/51/65/86/422516586.db2.gz YEJZVTWFVLNTJD-LBPRGKRZSA-N 1 0 323.441 2.086 10 0 DEAERO CCCCCNC(=O)[C@@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876239 424849433 /nfs/dbraw/zinc/84/94/33/424849433.db2.gz SOCCHDTTWHZWFB-OAHLLOKOSA-N 1 0 320.481 2.370 10 0 DEAERO Cc1cc(NC(=O)CC2CC[NH+](C)CC2)nn1-c1ccccc1 ZINC000362981432 424854233 /nfs/dbraw/zinc/85/42/33/424854233.db2.gz WGCRYHIIHPACDM-UHFFFAOYSA-N 1 0 312.417 2.851 10 0 DEAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)cc1 ZINC000193745005 424871539 /nfs/dbraw/zinc/87/15/39/424871539.db2.gz SLGAZABTRTTXDF-ZIAGYGMSSA-N 1 0 319.449 2.054 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CCC(OCC)CC2)CC1 ZINC000194943512 424879170 /nfs/dbraw/zinc/87/91/70/424879170.db2.gz KYWOCAZPVIJIDM-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO C(Nc1nnc(C2CCOCC2)s1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000555201843 424880557 /nfs/dbraw/zinc/88/05/57/424880557.db2.gz LKGKVNPNYDWASN-AWEZNQCLSA-N 1 0 322.478 2.861 10 0 DEAERO C[C@@]1(CNC(=O)c2csnn2)CCC[N@@H+]1Cc1ccccc1 ZINC000153797735 424859854 /nfs/dbraw/zinc/85/98/54/424859854.db2.gz UYMKSOKDUUWIGJ-INIZCTEOSA-N 1 0 316.430 2.323 10 0 DEAERO Cc1ccc(C[NH2+]C2COCCOC2)cc1Br ZINC000380053479 424907495 /nfs/dbraw/zinc/90/74/95/424907495.db2.gz WBFLPALSDHGGIN-UHFFFAOYSA-N 1 0 300.196 2.263 10 0 DEAERO CN(C(=O)c1ncccc1N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388656888 424915052 /nfs/dbraw/zinc/91/50/52/424915052.db2.gz SIZSBIPTKJQJBU-INIZCTEOSA-N 1 0 324.428 2.400 10 0 DEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390907336 424918412 /nfs/dbraw/zinc/91/84/12/424918412.db2.gz SNFOMGLEWKCHMY-GUDVDZBRSA-N 1 0 318.461 2.171 10 0 DEAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccncc1Br ZINC000401447368 424923453 /nfs/dbraw/zinc/92/34/53/424923453.db2.gz DQRRWLKHPLADEF-LBPRGKRZSA-N 1 0 324.222 2.249 10 0 DEAERO C[C@H](O)CCCN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404219065 424925835 /nfs/dbraw/zinc/92/58/35/424925835.db2.gz WGUITJKECAIZRJ-UHOSZYNNSA-N 1 0 318.461 2.123 10 0 DEAERO CC(C)(O)CCN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404214976 424926154 /nfs/dbraw/zinc/92/61/54/424926154.db2.gz SRQFPUVPQLIDGJ-MSOLQXFVSA-N 1 0 318.461 2.123 10 0 DEAERO CN(Cc1ccccc1)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000302891726 424892777 /nfs/dbraw/zinc/89/27/77/424892777.db2.gz JXOTZXZCWPRKKX-QZTJIDSGSA-N 1 0 315.461 2.109 10 0 DEAERO C[N@@H+]1CC[C@@H](CNc2ncc(Cl)cn2)[C@@H]1c1cccnc1 ZINC000328634853 424901531 /nfs/dbraw/zinc/90/15/31/424901531.db2.gz UIJBBOHEKBDEBB-JSGCOSHPSA-N 1 0 303.797 2.630 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2ccnc(N)c2)C1 ZINC000616619817 425097852 /nfs/dbraw/zinc/09/78/52/425097852.db2.gz KGPULXUDULEGHZ-CQSZACIVSA-N 1 0 320.437 2.368 10 0 DEAERO C[C@]1(C(=O)NCCc2ccc(Br)s2)CCC[NH2+]1 ZINC000227420555 268577146 /nfs/dbraw/zinc/57/71/46/268577146.db2.gz HKSUIMWWYHSCSG-GFCCVEGCSA-N 1 0 317.252 2.311 10 0 DEAERO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333099091 268885118 /nfs/dbraw/zinc/88/51/18/268885118.db2.gz ANKQPHJAYXNYHK-MAUKXSAKSA-N 1 0 315.417 2.449 10 0 DEAERO O=C(Nc1ccc2c(c1)C(=O)CCC2)N[C@H]1CCCC[NH2+]C1 ZINC000333183201 268898721 /nfs/dbraw/zinc/89/87/21/268898721.db2.gz SJFZUSXKVWUDNZ-AWEZNQCLSA-N 1 0 301.390 2.469 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333466955 268950731 /nfs/dbraw/zinc/95/07/31/268950731.db2.gz ACEPCEMZQYZYSY-TZMCWYRMSA-N 1 0 321.469 2.449 10 0 DEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCCC[NH2+]C2)C12CCC2 ZINC000333771328 268989940 /nfs/dbraw/zinc/98/99/40/268989940.db2.gz CBGLNUNIRKKGRO-RBSFLKMASA-N 1 0 309.454 2.118 10 0 DEAERO CC(C)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000333926668 269005186 /nfs/dbraw/zinc/00/51/86/269005186.db2.gz VQAXAUHWXBTVNY-QBPKDAKJSA-N 1 0 323.481 2.221 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)c1csnn1)CC2 ZINC000334110143 269020035 /nfs/dbraw/zinc/02/00/35/269020035.db2.gz BBIDETNRZLPXJA-XQQFMLRXSA-N 1 0 323.466 2.256 10 0 DEAERO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1csnn1 ZINC000334109804 269020226 /nfs/dbraw/zinc/02/02/26/269020226.db2.gz ATLKICQDBHBDMS-STQMWFEESA-N 1 0 323.466 2.259 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000334121940 269021692 /nfs/dbraw/zinc/02/16/92/269021692.db2.gz LZGMFKZKOIEVFS-ZDUSSCGKSA-N 1 0 312.417 2.330 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2F)C1 ZINC000390021465 269097117 /nfs/dbraw/zinc/09/71/17/269097117.db2.gz WRHMZMATZAYXDH-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO Fc1c(Br)cccc1C[NH2+]CCCn1ccnn1 ZINC000394913209 269101070 /nfs/dbraw/zinc/10/10/70/269101070.db2.gz AZLKQGASQGDKTF-UHFFFAOYSA-N 1 0 313.174 2.360 10 0 DEAERO C[C@H](NC(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C)c1ccccc1Cl ZINC000395175484 269101472 /nfs/dbraw/zinc/10/14/72/269101472.db2.gz JBDVFYMRRBUDRI-YNEHKIRRSA-N 1 0 310.825 2.220 10 0 DEAERO O=C(CC1CCC1)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397616308 269106878 /nfs/dbraw/zinc/10/68/78/269106878.db2.gz GZAOKXMNWXEVQG-UHFFFAOYSA-N 1 0 316.445 2.320 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)[C@H]2CC2(C)C)CC1 ZINC000397582982 269107023 /nfs/dbraw/zinc/10/70/23/269107023.db2.gz HXMXPFWIKMWFDR-GXTWGEPZSA-N 1 0 302.484 2.215 10 0 DEAERO Brc1cccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000286289206 273475376 /nfs/dbraw/zinc/47/53/76/273475376.db2.gz UYOHFESATKPAHD-CQSZACIVSA-N 1 0 311.223 2.360 10 0 DEAERO CC(=O)NCCCCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052852884 273492373 /nfs/dbraw/zinc/49/23/73/273492373.db2.gz GKCZYSLZOUDWHK-QGZVFWFLSA-N 1 0 319.449 2.102 10 0 DEAERO CC(C)c1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000184810043 273563545 /nfs/dbraw/zinc/56/35/45/273563545.db2.gz OJMRKVOYOTUNGR-HOTGVXAUSA-N 1 0 317.433 2.382 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cc1ccccc1C(F)(F)F ZINC000262825980 274377639 /nfs/dbraw/zinc/37/76/39/274377639.db2.gz PWBDNCBCRZLYDF-ZWNOBZJWSA-N 1 0 300.324 2.362 10 0 DEAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000191694057 274380091 /nfs/dbraw/zinc/38/00/91/274380091.db2.gz SOSVFFGYJDBMPV-MRVWCRGKSA-N 1 0 308.809 2.460 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c(C)s1 ZINC000235629784 274721404 /nfs/dbraw/zinc/72/14/04/274721404.db2.gz JKLUDZUJFTXNRG-JOYOIKCWSA-N 1 0 302.465 2.113 10 0 DEAERO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN1c1nccs1 ZINC000192591609 274980892 /nfs/dbraw/zinc/98/08/92/274980892.db2.gz XDHFBLSQGLGTMW-AWEZNQCLSA-N 1 0 322.478 2.104 10 0 DEAERO O[C@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccccc1Cl ZINC000105884119 275056984 /nfs/dbraw/zinc/05/69/84/275056984.db2.gz JWCRISOCQRMDCM-XJKSGUPXSA-N 1 0 320.824 2.377 10 0 DEAERO CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000365071348 275446892 /nfs/dbraw/zinc/44/68/92/275446892.db2.gz ZUXHNRSMBQAYCO-KZNAEPCWSA-N 1 0 308.466 2.430 10 0 DEAERO CC(=O)N1CCCC[C@@H]1c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000289068160 275449942 /nfs/dbraw/zinc/44/99/42/275449942.db2.gz ITJBMPMAGPMIMF-CQSZACIVSA-N 1 0 311.345 2.458 10 0 DEAERO CCC[C@H](C(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)[NH+](C)C ZINC000187680934 276038820 /nfs/dbraw/zinc/03/88/20/276038820.db2.gz IXOMFWYCGWXBJE-SCRDCRAPSA-N 1 0 324.387 2.317 10 0 DEAERO CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000181891882 276057287 /nfs/dbraw/zinc/05/72/87/276057287.db2.gz ULYZNCGBFXIPDW-BBRMVZONSA-N 1 0 310.463 2.495 10 0 DEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000262566851 276106167 /nfs/dbraw/zinc/10/61/67/276106167.db2.gz WVPBLMNSMWUIEE-HZPDHXFCSA-N 1 0 302.418 2.365 10 0 DEAERO CCC[C@H](C(=O)NCc1ccc2c(c1)OCCCO2)[NH+](C)C ZINC000161976072 276282149 /nfs/dbraw/zinc/28/21/49/276282149.db2.gz UXKYFEVVJGTYNH-CQSZACIVSA-N 1 0 306.406 2.194 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000177842167 276306297 /nfs/dbraw/zinc/30/62/97/276306297.db2.gz RMGOBPIRJCNQIL-GOEBONIOSA-N 1 0 317.433 2.493 10 0 DEAERO CCOc1cccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000245729818 276380141 /nfs/dbraw/zinc/38/01/41/276380141.db2.gz JNHMWCJMKMMUBZ-YJBOKZPZSA-N 1 0 304.434 2.238 10 0 DEAERO CCS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252862715 276393580 /nfs/dbraw/zinc/39/35/80/276393580.db2.gz OFPMCONJTJPBPA-RCBQFDQVSA-N 1 0 308.447 2.044 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000095977441 277045259 /nfs/dbraw/zinc/04/52/59/277045259.db2.gz BVDZKOUXYTUCDF-OAHLLOKOSA-N 1 0 313.449 2.169 10 0 DEAERO COC(=O)[C@H]1C[C@H]1C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000158386689 277139957 /nfs/dbraw/zinc/13/99/57/277139957.db2.gz KMKSYVWPJNYCTR-KGLIPLIRSA-N 1 0 316.401 2.406 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCC(C)(C)CC1 ZINC000074167467 277222871 /nfs/dbraw/zinc/22/28/71/277222871.db2.gz CGCXNDALLQNHHG-HNNXBMFYSA-N 1 0 311.470 2.365 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 ZINC000151006642 277294411 /nfs/dbraw/zinc/29/44/11/277294411.db2.gz PPOBZPOPNGCQDG-CQSZACIVSA-N 1 0 306.793 2.326 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1Cc2ccccc2C1 ZINC000186607119 277478397 /nfs/dbraw/zinc/47/83/97/277478397.db2.gz YGUJCKPIKRZBSZ-QGZVFWFLSA-N 1 0 303.450 2.429 10 0 DEAERO CC(C)[C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305108083 277882913 /nfs/dbraw/zinc/88/29/13/277882913.db2.gz BZTMNZUJQACBHF-NUEKZKHPSA-N 1 0 311.470 2.098 10 0 DEAERO CC(=O)NC1CCC([NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000187403777 278088861 /nfs/dbraw/zinc/08/88/61/278088861.db2.gz FDNLJVCHRHNQOQ-CSODTCANSA-N 1 0 315.461 2.469 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(Cl)cn1 ZINC000180892248 278252925 /nfs/dbraw/zinc/25/29/25/278252925.db2.gz JEKUYCJTNMKSDX-LBPRGKRZSA-N 1 0 310.829 2.409 10 0 DEAERO C[C@H](O)CCC[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000450921697 278287030 /nfs/dbraw/zinc/28/70/30/278287030.db2.gz JPIIWGXYMXPNGU-DOTOQJQBSA-N 1 0 300.402 2.340 10 0 DEAERO C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000025666379 278304901 /nfs/dbraw/zinc/30/49/01/278304901.db2.gz XOLSUKMEFPGXNO-ZCFIWIBFSA-N 1 0 300.236 2.098 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccccc1C(F)(F)F ZINC000459710803 278353713 /nfs/dbraw/zinc/35/37/13/278353713.db2.gz ZPPRNYFULFFNFD-MNOVXSKESA-N 1 0 314.311 2.009 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C[C@H]1CCOc2ccccc21 ZINC000245901203 278705942 /nfs/dbraw/zinc/70/59/42/278705942.db2.gz LEXLWIBUPFHSCM-RBSFLKMASA-N 1 0 302.418 2.494 10 0 DEAERO CC(C)C[C@H](C)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000184767799 279084701 /nfs/dbraw/zinc/08/47/01/279084701.db2.gz YXRSJFHABDMSSH-DLBZAZTESA-N 1 0 309.498 2.297 10 0 DEAERO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178632002 279214600 /nfs/dbraw/zinc/21/46/00/279214600.db2.gz SYNKJSKGNXGTAR-ZMSDIMECSA-N 1 0 313.445 2.133 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000261546016 279237930 /nfs/dbraw/zinc/23/79/30/279237930.db2.gz KOAOGMWMIUFPBS-KRWDZBQOSA-N 1 0 303.450 2.109 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000177708223 279301840 /nfs/dbraw/zinc/30/18/40/279301840.db2.gz DRFVRFYWZJXWSX-GOEBONIOSA-N 1 0 314.437 2.139 10 0 DEAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cn2ccnc2s1 ZINC000188361822 279309393 /nfs/dbraw/zinc/30/93/93/279309393.db2.gz OAEDKGXEYGXAQJ-VXGBXAGGSA-N 1 0 306.435 2.246 10 0 DEAERO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184666711 279588011 /nfs/dbraw/zinc/58/80/11/279588011.db2.gz ICLISRRTXVBLIO-ZFWWWQNUSA-N 1 0 310.438 2.099 10 0 DEAERO C[C@H]1CCC[C@H](C)C1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000358117074 279684744 /nfs/dbraw/zinc/68/47/44/279684744.db2.gz AATTYGFSWXWHNU-HOTGVXAUSA-N 1 0 321.509 2.345 10 0 DEAERO C[C@H]1CN(c2ccnc3cc(Br)cnc32)C[C@@H]1[NH3+] ZINC000235716002 279885746 /nfs/dbraw/zinc/88/57/46/279885746.db2.gz JUDFOSCANYGAFN-WPRPVWTQSA-N 1 0 307.195 2.176 10 0 DEAERO CC[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](CC)CC)C(=O)OC ZINC000084370717 280180837 /nfs/dbraw/zinc/18/08/37/280180837.db2.gz ZYZVJQIHOYXALC-CABCVRRESA-N 1 0 306.406 2.137 10 0 DEAERO Cc1c2ccccc2oc(=O)c1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177200505 280271391 /nfs/dbraw/zinc/27/13/91/280271391.db2.gz BNFPQKUIOWYSDB-CYBMUJFWSA-N 1 0 312.369 2.022 10 0 DEAERO c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261850017 280501224 /nfs/dbraw/zinc/50/12/24/280501224.db2.gz BEHIABKIEGJSRS-RCCFBDPRSA-N 1 0 311.429 2.482 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000173830568 288312308 /nfs/dbraw/zinc/31/23/08/288312308.db2.gz CXOAJCRHIUUIBQ-UONOGXRCSA-N 1 0 312.410 2.073 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCc2c1cccc2O ZINC000266126986 288309835 /nfs/dbraw/zinc/30/98/35/288309835.db2.gz QGRRWUPHCZUXAW-DVOMOZLQSA-N 1 0 315.417 2.258 10 0 DEAERO CC1(C)C[C@H]([NH2+]CC(=O)N2CCO[C@H]3CCCC[C@H]32)C(C)(C)O1 ZINC000249483899 281356817 /nfs/dbraw/zinc/35/68/17/281356817.db2.gz XOQBRHQNYWVGNF-ILXRZTDVSA-N 1 0 324.465 2.092 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@]1(C)CCCO1 ZINC000119989219 281732668 /nfs/dbraw/zinc/73/26/68/281732668.db2.gz MRQYVPKMWAIRHY-AEFFLSMTSA-N 1 0 319.449 2.028 10 0 DEAERO C[C@@H](CC[NH2+]Cc1csc(-c2ccccn2)n1)[S@](C)=O ZINC000129481887 281912980 /nfs/dbraw/zinc/91/29/80/281912980.db2.gz XPTIXYUYUPTMLU-PRWKNARSSA-N 1 0 309.460 2.452 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)NCCc1cscn1)c1ccccc1 ZINC000131900564 281976237 /nfs/dbraw/zinc/97/62/37/281976237.db2.gz ZJVVKXLITUNRHQ-HNNXBMFYSA-N 1 0 318.446 2.288 10 0 DEAERO Cc1ccn(-c2ccc(C(=O)N3CC[C@H](C)C[C@@H]3C[NH3+])cc2)n1 ZINC000261674253 292728862 /nfs/dbraw/zinc/72/88/62/292728862.db2.gz CVNFCGIEDRCIHI-SUMWQHHRSA-N 1 0 312.417 2.380 10 0 DEAERO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)[C@H]1CCCO1 ZINC000183130129 290034911 /nfs/dbraw/zinc/03/49/11/290034911.db2.gz JRMYNCLFCJWXAK-XZJROXQQSA-N 1 0 306.381 2.303 10 0 DEAERO C[C@H]([NH2+][C@H]1COC[C@H]1n1ccnn1)C1CCC(F)(F)CC1 ZINC000328971376 290059846 /nfs/dbraw/zinc/05/98/46/290059846.db2.gz VDHKNOQROLTQEA-WCFLWFBJSA-N 1 0 300.353 2.022 10 0 DEAERO COc1ccc(C(C)(C)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178112902 295100301 /nfs/dbraw/zinc/10/03/01/295100301.db2.gz LTFWFBUFSDJFJS-OAHLLOKOSA-N 1 0 302.418 2.279 10 0 DEAERO COc1ccc(CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1F ZINC000046858117 295116229 /nfs/dbraw/zinc/11/62/29/295116229.db2.gz ANKSGYJXYWEYKO-ZDUSSCGKSA-N 1 0 308.397 2.367 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000262763319 297109671 /nfs/dbraw/zinc/10/96/71/297109671.db2.gz JZOPUZFAYOMDRZ-LDYMZIIASA-N 1 0 323.245 2.270 10 0 DEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000245580964 297599797 /nfs/dbraw/zinc/59/97/97/297599797.db2.gz HDHKMEPAJVGPNH-LOHUMSBYSA-N 1 0 308.809 2.379 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246482875 302760697 /nfs/dbraw/zinc/76/06/97/302760697.db2.gz OSMFDIAQFYVHGN-ZNMIVQPWSA-N 1 0 304.438 2.218 10 0 DEAERO O=C(C1CC1)N1CCCCC[C@H]1C1CC[NH+](CCCO)CC1 ZINC000369280951 303547954 /nfs/dbraw/zinc/54/79/54/303547954.db2.gz USYVVRXHVQJRMY-KRWDZBQOSA-N 1 0 308.466 2.262 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)c1ncsc1Br ZINC000573861935 326099444 /nfs/dbraw/zinc/09/94/44/326099444.db2.gz WTYUVQGYWJTDLL-UHFFFAOYSA-N 1 0 320.256 2.319 10 0 DEAERO COc1cccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)n1 ZINC000574892415 326197537 /nfs/dbraw/zinc/19/75/37/326197537.db2.gz QHHCEKLPPUPAEH-CQSZACIVSA-N 1 0 300.358 2.410 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000187719542 332983394 /nfs/dbraw/zinc/98/33/94/332983394.db2.gz KRWOZGLPSLNUNE-YPMHNXCESA-N 1 0 321.339 2.317 10 0 DEAERO c1ccc(N2CCOCC2)c(C[NH2+]CCOCC2CCC2)c1 ZINC000580267311 333045857 /nfs/dbraw/zinc/04/58/57/333045857.db2.gz IKFBVTOCFGURBQ-UHFFFAOYSA-N 1 0 304.434 2.430 10 0 DEAERO Cc1nc(CCNC(=O)C2(C[NH+](C)C)CCCCC2)c(C)o1 ZINC000583557852 335726655 /nfs/dbraw/zinc/72/66/55/335726655.db2.gz LITSVKJZZBRIAF-UHFFFAOYSA-N 1 0 307.438 2.462 10 0 DEAERO CO[C@H]([C@H](C)[NH2+]Cc1c(Br)cnn1C)C1CC1 ZINC000388349634 336011410 /nfs/dbraw/zinc/01/14/10/336011410.db2.gz NVXZDVYZIUZKQO-QPUJVOFHSA-N 1 0 302.216 2.086 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)NCCOCC1CCC1)c1ccccc1 ZINC000583786586 337332874 /nfs/dbraw/zinc/33/28/74/337332874.db2.gz RLSPGCWQECFLRH-QGZVFWFLSA-N 1 0 319.449 2.405 10 0 DEAERO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cnn1C ZINC000192470128 341825399 /nfs/dbraw/zinc/82/53/99/341825399.db2.gz BAHLZSLLUBBLSW-SNVBAGLBSA-N 1 0 316.430 2.493 10 0 DEAERO O[C@H](C[NH2+]C1(c2ccc(Cl)cc2)CCC1)CN1CCOCC1 ZINC000178839768 341967101 /nfs/dbraw/zinc/96/71/01/341967101.db2.gz YMLHCVIZGHERRT-MRXNPFEDSA-N 1 0 324.852 2.002 10 0 DEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000295938218 534098268 /nfs/dbraw/zinc/09/82/68/534098268.db2.gz AYZCDFJHTSURHF-KWQFWETISA-N 1 0 315.186 2.345 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC(OCCO)CC1 ZINC000128799722 518182673 /nfs/dbraw/zinc/18/26/73/518182673.db2.gz BHKMIADPFGEVMD-BLLLJJGKSA-N 1 0 312.841 2.202 10 0 DEAERO O=C(NCCc1c(F)cccc1F)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000299742988 534436018 /nfs/dbraw/zinc/43/60/18/534436018.db2.gz LIMKJTYVKVYLCJ-NXEZZACHSA-N 1 0 322.277 2.021 10 0 DEAERO CC(C)CNC(=O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180675803 519734960 /nfs/dbraw/zinc/73/49/60/519734960.db2.gz KPFUBPWTHYRSGE-CQSZACIVSA-N 1 0 300.406 2.295 10 0 DEAERO CC(C)[C@H](O)CC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000158960512 519822766 /nfs/dbraw/zinc/82/27/66/519822766.db2.gz LAWGHCFPKBFRHE-QGZVFWFLSA-N 1 0 322.449 2.040 10 0 DEAERO c1csc(CN(Cc2cc[nH]n2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261669063 534520894 /nfs/dbraw/zinc/52/08/94/534520894.db2.gz BUTRDGVKLUAAFB-ZDUSSCGKSA-N 1 0 303.435 2.011 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)c2c(C)noc2C)C1 ZINC000246922107 521645572 /nfs/dbraw/zinc/64/55/72/521645572.db2.gz YLOJNTHEJZYRDS-FZMZJTMJSA-N 1 0 308.426 2.178 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](COC)c2ccco2)[C@@H](C)C1 ZINC000246364988 521718377 /nfs/dbraw/zinc/71/83/77/521718377.db2.gz GWMWBLZDKVOIKE-KKUMJFAQSA-N 1 0 323.437 2.339 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2cnn(C)c2C)[C@@H](C)C1 ZINC000246353944 521718420 /nfs/dbraw/zinc/71/84/20/521718420.db2.gz FXGNWHAHWZOSRX-XEZPLFJOSA-N 1 0 321.469 2.161 10 0 DEAERO C[NH2+]C1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000237071074 521947049 /nfs/dbraw/zinc/94/70/49/521947049.db2.gz HKSFQVBJRWXQLV-UHFFFAOYSA-N 1 0 316.323 2.295 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)C1 ZINC000247309095 522383500 /nfs/dbraw/zinc/38/35/00/522383500.db2.gz QOMCOOMIHSZPHO-WQVCFCJDSA-N 1 0 315.417 2.105 10 0 DEAERO CCc1noc(-c2ccc(CC[NH2+]Cc3cncnc3)cc2)n1 ZINC000105491416 522824730 /nfs/dbraw/zinc/82/47/30/522824730.db2.gz OEAJFKUVOKBDCG-UHFFFAOYSA-N 1 0 309.373 2.421 10 0 DEAERO CCc1cccc(C)c1NC(=O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000245852521 524062896 /nfs/dbraw/zinc/06/28/96/524062896.db2.gz MNHQNYCGQOGHAI-HIFRSBDPSA-N 1 0 317.433 2.082 10 0 DEAERO COc1ccccc1CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000156176730 524415606 /nfs/dbraw/zinc/41/56/06/524415606.db2.gz LLFOSLQHMCZFNP-HOCLYGCPSA-N 1 0 319.449 2.266 10 0 DEAERO COc1ccc(NC(=O)CC[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)cc1 ZINC000248863284 524481059 /nfs/dbraw/zinc/48/10/59/524481059.db2.gz XWQLSNVQAFPIFW-AGGWBTHJSA-N 1 0 306.406 2.258 10 0 DEAERO Cc1cc(F)ccc1N1CCC[C@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000248852075 524985247 /nfs/dbraw/zinc/98/52/47/524985247.db2.gz JOFVRZVIXVEPJI-ZFWWWQNUSA-N 1 0 307.413 2.347 10 0 DEAERO C[C@@H](O)CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152716394 525767625 /nfs/dbraw/zinc/76/76/25/525767625.db2.gz ISWQTYVIFKBGCO-QQFBHYJXSA-N 1 0 311.470 2.100 10 0 DEAERO CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261731573 534897060 /nfs/dbraw/zinc/89/70/60/534897060.db2.gz CWTPZCLOOGYUQM-CZUORRHYSA-N 1 0 318.417 2.242 10 0 DEAERO C[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)[C@@H]1C[NH3+] ZINC000156596785 526263369 /nfs/dbraw/zinc/26/33/69/526263369.db2.gz GGEUMBACVIOAAL-KSLFURFDSA-N 1 0 316.401 2.057 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)C1 ZINC000237945819 527366339 /nfs/dbraw/zinc/36/63/39/527366339.db2.gz NABLVOZWPKLBKN-BNOWGMLFSA-N 1 0 322.380 2.449 10 0 DEAERO Cn1nccc1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000163422220 527593389 /nfs/dbraw/zinc/59/33/89/527593389.db2.gz PVIQPWAGEUERJA-GOSISDBHSA-N 1 0 312.417 2.205 10 0 DEAERO O[C@@]1(C[NH2+]Cc2ccc(-n3cncn3)cc2)CCc2ccccc21 ZINC000370952288 527680994 /nfs/dbraw/zinc/68/09/94/527680994.db2.gz DZLLJBCETNYHLF-LJQANCHMSA-N 1 0 320.396 2.191 10 0 DEAERO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)Nc2cccc(C)c2)C1(C)C ZINC000189985810 527973181 /nfs/dbraw/zinc/97/31/81/527973181.db2.gz QISWDTNHQKIHGI-CRAIPNDOSA-N 1 0 320.433 2.089 10 0 DEAERO CCc1cccc(CC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000188759787 529160814 /nfs/dbraw/zinc/16/08/14/529160814.db2.gz PBWIGEDBRLDZLN-OAHLLOKOSA-N 1 0 318.461 2.095 10 0 DEAERO CCCNC(=O)c1cccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261792433 535138586 /nfs/dbraw/zinc/13/85/86/535138586.db2.gz IGJZGIUXRMFFBH-OAHLLOKOSA-N 1 0 317.433 2.026 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCc3c2cccc3O)CC1 ZINC000358669848 535244435 /nfs/dbraw/zinc/24/44/35/535244435.db2.gz RSVXNXHJQWDCJR-MRXNPFEDSA-N 1 0 315.417 2.331 10 0 DEAERO CC1(C)CN(C(=O)Cc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000262045090 535337514 /nfs/dbraw/zinc/33/75/14/535337514.db2.gz QMTQGPLFTBQWCJ-INIZCTEOSA-N 1 0 312.417 2.001 10 0 DEAERO CCCC(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067332794 535346658 /nfs/dbraw/zinc/34/66/58/535346658.db2.gz XINFLSCYLOPXGY-MRXNPFEDSA-N 1 0 323.481 2.064 10 0 DEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H](C)C2C[NH2+]C2)C12CCCCC2 ZINC000262622717 535391832 /nfs/dbraw/zinc/39/18/32/535391832.db2.gz ZTFRJIPSSUZAGM-NUEKZKHPSA-N 1 0 308.466 2.428 10 0 DEAERO CCCn1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn1 ZINC000248437858 535605636 /nfs/dbraw/zinc/60/56/36/535605636.db2.gz HHYCPAKCYPBONL-IRXDYDNUSA-N 1 0 312.417 2.468 10 0 DEAERO CC[C@@H](C)Oc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000176608617 535623415 /nfs/dbraw/zinc/62/34/15/535623415.db2.gz DCHKTQHQSKUVHE-PBHICJAKSA-N 1 0 320.433 2.267 10 0 DEAERO CCS[C@@H]1CCCCN(S(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000192637930 535704718 /nfs/dbraw/zinc/70/47/18/535704718.db2.gz GJVMATQLVDDTAI-CQSZACIVSA-N 1 0 320.524 2.020 10 0 DEAERO C[NH+](C)CCCCNC(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC000357794923 535830465 /nfs/dbraw/zinc/83/04/65/535830465.db2.gz HHZZUWSYAXYTGV-AWEZNQCLSA-N 1 0 307.413 2.110 10 0 DEAERO CC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1cccs1 ZINC000261968775 535854234 /nfs/dbraw/zinc/85/42/34/535854234.db2.gz QHYYDSCPDVWMKQ-RDBSUJKOSA-N 1 0 318.446 2.052 10 0 DEAERO CCc1noc(C)c1CNC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000455018004 535881085 /nfs/dbraw/zinc/88/10/85/535881085.db2.gz XTQFJAAUQBXUGK-NWDGAFQWSA-N 1 0 308.426 2.170 10 0 DEAERO CC[C@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1nccs1 ZINC000262746855 535886603 /nfs/dbraw/zinc/88/66/03/535886603.db2.gz JYKZJYPNRWQOCS-NEPJUHHUSA-N 1 0 319.434 2.145 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(OC)c(F)c1 ZINC000246992559 536165356 /nfs/dbraw/zinc/16/53/56/536165356.db2.gz PJZOBSDJXATSJK-GJZGRUSLSA-N 1 0 320.408 2.462 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1c(C)noc1C ZINC000246307593 536167490 /nfs/dbraw/zinc/16/74/90/536167490.db2.gz NMCGMGDMWWHOBP-GJZGRUSLSA-N 1 0 320.437 2.102 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(OC)ccc1O ZINC000246572937 536167962 /nfs/dbraw/zinc/16/79/62/536167962.db2.gz NHXXVFHUINHQPS-STQMWFEESA-N 1 0 304.390 2.100 10 0 DEAERO C[NH+]1CCC(CC(=O)N2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000376836884 536335220 /nfs/dbraw/zinc/33/52/20/536335220.db2.gz OUTIMTOXTGPERC-QGZVFWFLSA-N 1 0 301.434 2.431 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC000249553332 536355024 /nfs/dbraw/zinc/35/50/24/536355024.db2.gz IVJUWVPWRWRVLU-QZTJIDSGSA-N 1 0 319.493 2.361 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c(s2)CCOC3)C1 ZINC000246816704 536472173 /nfs/dbraw/zinc/47/21/73/536472173.db2.gz SATPPMHYCRVQFV-GXTWGEPZSA-N 1 0 320.458 2.377 10 0 DEAERO COC(=O)c1cc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c[nH]1 ZINC000458267704 536876692 /nfs/dbraw/zinc/87/66/92/536876692.db2.gz QGQFCTIFYXCGOG-UHFFFAOYSA-N 1 0 315.373 2.424 10 0 DEAERO COc1ccccc1OCCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247502215 537092419 /nfs/dbraw/zinc/09/24/19/537092419.db2.gz XRQSMXYVMVWGHA-LSDHHAIUSA-N 1 0 320.433 2.309 10 0 DEAERO Cc1nc(CCNC(=O)N2CCC[C@H]2Cn2ccnc2)cs1 ZINC000267558303 625444457 /nfs/dbraw/zinc/44/44/57/625444457.db2.gz FFBPPLGKYGQUND-AWEZNQCLSA-N 1 0 319.434 2.065 10 0 DEAERO FC(F)(F)c1nn(CN2CC[N@@H+]3CCC[C@H]3C2)c(=S)s1 ZINC000188682574 625454486 /nfs/dbraw/zinc/45/44/86/625454486.db2.gz ADNUXSHWXRVNJY-QMMMGPOBSA-N 1 0 324.397 2.430 10 0 DEAERO Cn1ncc(C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)n1 ZINC000309693708 625509182 /nfs/dbraw/zinc/50/91/82/625509182.db2.gz CQGLFDOIOLFYDI-KBPBESRZSA-N 1 0 323.441 2.131 10 0 DEAERO C[C@@](O)(CO)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000394463087 625566035 /nfs/dbraw/zinc/56/60/35/625566035.db2.gz IMMCZQANYLOYRR-SFHVURJKSA-N 1 0 301.386 2.099 10 0 DEAERO C[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000049646078 624907564 /nfs/dbraw/zinc/90/75/64/624907564.db2.gz MSQKNZWPBXMYJM-MFKMUULPSA-N 1 0 302.827 2.072 10 0 DEAERO CC(C)COc1ccccc1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000066244542 625057946 /nfs/dbraw/zinc/05/79/46/625057946.db2.gz AWZLWAJGEQAHMW-OAHLLOKOSA-N 1 0 305.422 2.305 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000052808268 625105949 /nfs/dbraw/zinc/10/59/49/625105949.db2.gz YUMJNRNIKOXSPR-GFCCVEGCSA-N 1 0 305.205 2.316 10 0 DEAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC(C)=O)cc1 ZINC000178142603 625134933 /nfs/dbraw/zinc/13/49/33/625134933.db2.gz DSTNAVIASXBVRX-KRWDZBQOSA-N 1 0 318.417 2.445 10 0 DEAERO C[C@@]1(CNC[C@H](O)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000309915282 625242897 /nfs/dbraw/zinc/24/28/97/625242897.db2.gz UDBYRXCSULZACK-GJZGRUSLSA-N 1 0 316.367 2.411 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc3[nH]c(C)nc32)[C@@H](C)C1 ZINC000333322916 633403169 /nfs/dbraw/zinc/40/31/69/633403169.db2.gz XFNHLZWZRCYQOY-SMDDNHRTSA-N 1 0 315.421 2.069 10 0 DEAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000736102008 633564738 /nfs/dbraw/zinc/56/47/38/633564738.db2.gz OMJGOVHHSIHEHS-ZDUSSCGKSA-N 1 0 324.856 2.405 10 0 DEAERO C[C@@H](c1cccc(F)c1)N1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000091689711 635472476 /nfs/dbraw/zinc/47/24/76/635472476.db2.gz HNVDRIQGOJFFHI-LSDHHAIUSA-N 1 0 320.408 2.458 10 0 DEAERO CCn1nc(C)c([C@@H](C)[NH2+]CC(=O)NCc2ccccc2)c1C ZINC000320732243 635660127 /nfs/dbraw/zinc/66/01/27/635660127.db2.gz KNTPQFJHEYITJA-CYBMUJFWSA-N 1 0 314.433 2.487 10 0 DEAERO CCCCC[C@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000248459973 636203462 /nfs/dbraw/zinc/20/34/62/636203462.db2.gz RYASNAMQGQQDHS-HRCADAONSA-N 1 0 313.486 2.442 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)Cc1cn(-c2ccccc2)nn1 ZINC000261809713 636539271 /nfs/dbraw/zinc/53/92/71/636539271.db2.gz SJDLECLGZWNAIC-UHFFFAOYSA-N 1 0 321.428 2.271 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCNc1nc2ccccc2s1 ZINC000237068619 636549059 /nfs/dbraw/zinc/54/90/59/636549059.db2.gz URDRIGXUHUGQGU-GXFFZTMASA-N 1 0 306.435 2.198 10 0 DEAERO CCCCCC(=O)NC1CC[NH+](C/C=C(/C)C(=O)OC)CC1 ZINC000748814474 637313076 /nfs/dbraw/zinc/31/30/76/637313076.db2.gz BVOYSGAISFZJGY-ZSOIEALJSA-N 1 0 310.438 2.267 10 0 DEAERO O=C(c1ncccn1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000743337447 638135204 /nfs/dbraw/zinc/13/52/04/638135204.db2.gz RSUMRPCGZZBEDO-OAHLLOKOSA-N 1 0 302.422 2.205 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000746179200 638319770 /nfs/dbraw/zinc/31/97/70/638319770.db2.gz SRHKHZMODWPSKH-QGZVFWFLSA-N 1 0 304.434 2.300 10 0 DEAERO CCOC[C@H]1CC[N@H+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000748087762 638508563 /nfs/dbraw/zinc/50/85/63/638508563.db2.gz BZDDCXSBTXMZJV-ZDUSSCGKSA-N 1 0 317.389 2.139 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](C)c1ccncc1 ZINC000749833358 638686496 /nfs/dbraw/zinc/68/64/96/638686496.db2.gz NQIXZACTISAVIB-DZGCQCFKSA-N 1 0 306.479 2.134 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000321593976 640228240 /nfs/dbraw/zinc/22/82/40/640228240.db2.gz JOIVUNQTBMOJLN-ROUUACIJSA-N 1 0 311.433 2.374 10 0 DEAERO COc1cccc2c1OC[C@@H]([NH2+]Cc1cnn3ccccc13)C2 ZINC000729679142 640824976 /nfs/dbraw/zinc/82/49/76/640824976.db2.gz DYXXFXXTEYVFQV-HNNXBMFYSA-N 1 0 309.369 2.436 10 0 DEAERO CCON1CCC([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000323532297 642057454 /nfs/dbraw/zinc/05/74/54/642057454.db2.gz XIZBBEXUTYHHGF-CHWSQXEVSA-N 1 0 315.458 2.294 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)COc2ccc3c(c2)CCC3)C1 ZINC000155632781 645119040 /nfs/dbraw/zinc/11/90/40/645119040.db2.gz SMTIBLLNMHLXCV-KDOFPFPSSA-N 1 0 316.445 2.399 10 0 DEAERO C[N@H+]1CC=C(CNC(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000800737803 645300650 /nfs/dbraw/zinc/30/06/50/645300650.db2.gz NSVFTZJQOTUMLK-INIZCTEOSA-N 1 0 319.836 2.368 10 0 DEAERO COC[C@@H](O)C[NH2+]Cc1c(-c2ccccc2)nc2sccn21 ZINC000802753635 645553650 /nfs/dbraw/zinc/55/36/50/645553650.db2.gz LJSIEUHAKIZZQD-ZDUSSCGKSA-N 1 0 317.414 2.160 10 0 DEAERO CN(C(=O)Nc1cnn(C)c1C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806429274 645829712 /nfs/dbraw/zinc/82/97/12/645829712.db2.gz PPMABIUENQOWLU-PBWFPOADSA-N 1 0 317.437 2.386 10 0 DEAERO CON(C)C(=O)CC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000806625666 645855081 /nfs/dbraw/zinc/85/50/81/645855081.db2.gz JIADNDRYCJFHAZ-SNVBAGLBSA-N 1 0 302.321 2.349 10 0 DEAERO Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000222555605 646452268 /nfs/dbraw/zinc/45/22/68/646452268.db2.gz OBVJILCZBUYYID-KRWDZBQOSA-N 1 0 315.392 2.368 10 0 DEAERO CN1CCC([NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000229081525 646666089 /nfs/dbraw/zinc/66/60/89/646666089.db2.gz MYTOSQWBMFBSLM-ZFWWWQNUSA-N 1 0 311.470 2.364 10 0 DEAERO CC(C)Nc1ncnc2c1ncn2CN1C[C@@H](C)OC(C)(C)C1 ZINC000170902737 646674238 /nfs/dbraw/zinc/67/42/38/646674238.db2.gz DRXLWSMBSKONTQ-GFCCVEGCSA-N 1 0 318.425 2.103 10 0 DEAERO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CSCCS2)cc1 ZINC000229602037 646693800 /nfs/dbraw/zinc/69/38/00/646693800.db2.gz JBDDWNWDLMMCMO-ZFWWWQNUSA-N 1 0 313.488 2.173 10 0 DEAERO COC(=O)CCC[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000173346048 646766012 /nfs/dbraw/zinc/76/60/12/646766012.db2.gz IIRXYKOGFIAISM-QWHCGFSZSA-N 1 0 314.426 2.223 10 0 DEAERO CC1(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000312188319 646913756 /nfs/dbraw/zinc/91/37/56/646913756.db2.gz RDAXTUBDPKPAIX-WDZFZDKYSA-N 1 0 314.838 2.372 10 0 DEAERO c1ccc2c(c1)CCCN2CC[NH+]1CCC2(CC1)OCCO2 ZINC000152493033 647177948 /nfs/dbraw/zinc/17/79/48/647177948.db2.gz HRXWHKVWZBUKCJ-UHFFFAOYSA-N 1 0 302.418 2.278 10 0 DEAERO CC[N@H+](C[C@H](O)CN1CCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000731399493 647473631 /nfs/dbraw/zinc/47/36/31/647473631.db2.gz KTPGSOYGSOWMBY-FUHWJXTLSA-N 1 0 320.477 2.405 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnn(-c2ccccc2)n1 ZINC000175034296 648330827 /nfs/dbraw/zinc/33/08/27/648330827.db2.gz CUMZEHLNYXNSQK-FUHWJXTLSA-N 1 0 311.433 2.326 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)C2=CCCCO2)CC1 ZINC000072848374 649528502 /nfs/dbraw/zinc/52/85/02/649528502.db2.gz NQLMSQDHTGQFKL-UHFFFAOYSA-N 1 0 315.417 2.461 10 0 DEAERO [NH2+]=C(NCc1c(F)cccc1OC(F)F)NC[C@@H]1CCCO1 ZINC000072914254 649544546 /nfs/dbraw/zinc/54/45/46/649544546.db2.gz OJGWOSAKFFUPIX-VIFPVBQESA-N 1 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/nfs/dbraw/zinc/88/10/34/683881034.db2.gz QTSFBXOXMSBVTO-VOTSOKGWSA-N 1 0 301.415 2.452 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(-n2nccn2)cc1 ZINC000048330563 683915551 /nfs/dbraw/zinc/91/55/51/683915551.db2.gz VSSRVJNTQURGDS-ZDUSSCGKSA-N 1 0 316.409 2.119 10 0 DEAERO Cc1ccc(CNC(=[NH2+])NC(C)C)c(OC[C@@H]2CCOC2)c1 ZINC000087001992 684013228 /nfs/dbraw/zinc/01/32/28/684013228.db2.gz KYEIMMIHVVMLDI-CQSZACIVSA-N 1 0 305.422 2.223 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@@H]2CC2(Cl)Cl)C1 ZINC000096995698 684054850 /nfs/dbraw/zinc/05/48/50/684054850.db2.gz SLFWSMLBNSNXRX-MNOVXSKESA-N 1 0 310.221 2.080 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@H](O)C1 ZINC000114082924 684062688 /nfs/dbraw/zinc/06/26/88/684062688.db2.gz ZDIVZXZUIPLHNP-LSDHHAIUSA-N 1 0 306.406 2.147 10 0 DEAERO COCC[N@@H+]1CCN(Cn2ccc(-c3ccccc3)n2)C[C@H]1C ZINC000117323496 684068389 /nfs/dbraw/zinc/06/83/89/684068389.db2.gz IDVULPXJLSRCAD-MRXNPFEDSA-N 1 0 314.433 2.160 10 0 DEAERO CC(C)[C@@H](C(=O)OCCN1CCSCC1)[NH+]1CCCCC1 ZINC000120495885 684096742 /nfs/dbraw/zinc/09/67/42/684096742.db2.gz ICAVOEWPYJNTEF-HNNXBMFYSA-N 1 0 314.495 2.089 10 0 DEAERO C/C(=C\c1ccc(Cl)cc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000121751891 684108975 /nfs/dbraw/zinc/10/89/75/684108975.db2.gz MOYTUTFNTUUKLX-RZXPCSSPSA-N 1 0 308.809 2.190 10 0 DEAERO COC(=O)[C@H]1CN(Cc2ccc(Br)cn2)C[C@H]1C ZINC000122845000 684119508 /nfs/dbraw/zinc/11/95/08/684119508.db2.gz YKPLRKPJYMDBSF-SKDRFNHKSA-N 1 0 313.195 2.085 10 0 DEAERO CC(C)(C)c1ccc([C@@H](O)CNC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000129510811 684179904 /nfs/dbraw/zinc/17/99/04/684179904.db2.gz FQPHYMNVZAFWKO-CJNGLKHVSA-N 1 0 304.434 2.133 10 0 DEAERO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000143380708 684256567 /nfs/dbraw/zinc/25/65/67/684256567.db2.gz FKZLKKQWBBTHHY-CQSZACIVSA-N 1 0 312.413 2.144 10 0 DEAERO CNC(=O)CCC[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000155307618 684269280 /nfs/dbraw/zinc/26/92/80/684269280.db2.gz VGPNFCGIAFEZJP-UHFFFAOYSA-N 1 0 323.462 2.418 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)O[C@H]3CCO[C@@H]3C)cc2)CC1 ZINC000187744523 684343041 /nfs/dbraw/zinc/34/30/41/684343041.db2.gz CYVNRSBDYDSTLG-PBHICJAKSA-N 1 0 318.417 2.163 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)Cc2[nH]nc3c2CCCC3)CC1 ZINC000188429111 684355642 /nfs/dbraw/zinc/35/56/42/684355642.db2.gz SWAOHIATQXBQCW-UHFFFAOYSA-N 1 0 318.465 2.068 10 0 DEAERO CCNC(NCCN1CCc2c(Cl)cccc2C1)=[NH+]CC ZINC000189387516 684380206 /nfs/dbraw/zinc/38/02/06/684380206.db2.gz IXRKJUQTUHPABG-UHFFFAOYSA-N 1 0 308.857 2.273 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(COC)cc1 ZINC000192566491 684453261 /nfs/dbraw/zinc/45/32/61/684453261.db2.gz JBDBHOHEGWYXGE-INIZCTEOSA-N 1 0 321.421 2.065 10 0 DEAERO O=S1(=O)CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)c2ccccc21 ZINC000192959414 684461683 /nfs/dbraw/zinc/46/16/83/684461683.db2.gz SXGMHOYCAYQPMV-HZPDHXFCSA-N 1 0 317.410 2.228 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000193249281 685036403 /nfs/dbraw/zinc/03/64/03/685036403.db2.gz IZGZNXKMKMFROK-PRHODGIISA-N 1 0 305.205 2.270 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)C[C@H]2CCCOC2)ccc1F ZINC000193274967 685037098 /nfs/dbraw/zinc/03/70/98/685037098.db2.gz BMEWEMMDKXYDQZ-CQSZACIVSA-N 1 0 308.397 2.320 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(OC(C)=O)cc2)C[C@H]1C ZINC000246233046 685126295 /nfs/dbraw/zinc/12/62/95/685126295.db2.gz KIVCVXJKWQHBTJ-OAHLLOKOSA-N 1 0 320.433 2.155 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)N2CCc3ccccc32)C1 ZINC000247371870 685147069 /nfs/dbraw/zinc/14/70/69/685147069.db2.gz PFEXKIVWJRLRFR-VYDXJSESSA-N 1 0 315.461 2.283 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@H](C)Oc2ccccc2)C1 ZINC000249202484 685176769 /nfs/dbraw/zinc/17/67/69/685176769.db2.gz AHJGHBPENCWQBF-RDJZCZTQSA-N 1 0 321.417 2.354 10 0 DEAERO CC(C)(C)c1csc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000250367617 685189803 /nfs/dbraw/zinc/18/98/03/685189803.db2.gz QLWUDHJFWQTXQP-QWHCGFSZSA-N 1 0 309.479 2.393 10 0 DEAERO [NH3+]C1(Cc2nc(Cc3ccccc3Br)no2)CC1 ZINC000398433559 790273309 /nfs/dbraw/zinc/27/33/09/790273309.db2.gz UPSYYZTYRLILLM-UHFFFAOYSA-N 1 0 308.179 2.457 10 0 DEAERO CC[C@H]1CN(S(=O)(=O)c2c(C)sc(C)c2C)CC[C@H]1[NH3+] ZINC000722601887 776579109 /nfs/dbraw/zinc/57/91/09/776579109.db2.gz QUMALCVKJTYONL-QWHCGFSZSA-N 1 0 316.492 2.421 10 0 DEAERO Brc1cccc(C[NH2+]Cc2cnc3n2CCOC3)c1 ZINC000722865084 776927781 /nfs/dbraw/zinc/92/77/81/776927781.db2.gz RELQYKMLYLTGGU-UHFFFAOYSA-N 1 0 322.206 2.466 10 0 DEAERO CN1C[C@H](CC[NH2+]Cc2cscc2Br)CC1=O ZINC000723551706 777121695 /nfs/dbraw/zinc/12/16/95/777121695.db2.gz HWBZEPYMTRIXCQ-SECBINFHSA-N 1 0 317.252 2.469 10 0 DEAERO CCS(=O)(=O)N1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000723564933 777124943 /nfs/dbraw/zinc/12/49/43/777124943.db2.gz NFGIUCFJPAGJOF-AWEZNQCLSA-N 1 0 300.468 2.113 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C[C@H]1CC[NH3+] ZINC000723900358 777202724 /nfs/dbraw/zinc/20/27/24/777202724.db2.gz BAARRIGRZORWSM-NXEZZACHSA-N 1 0 320.817 2.085 10 0 DEAERO Brc1c[nH]c(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)n1 ZINC000723979504 777213759 /nfs/dbraw/zinc/21/37/59/777213759.db2.gz XWVQVRLIILSDTD-ZWNOBZJWSA-N 1 0 314.227 2.467 10 0 DEAERO C[C@H](O)[C@H]1CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724061013 777233840 /nfs/dbraw/zinc/23/38/40/777233840.db2.gz ICVYFHYHDVAJOS-GUBZILKMSA-N 1 0 305.287 2.028 10 0 DEAERO CO[C@]1(C)CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724110699 777243089 /nfs/dbraw/zinc/24/30/89/777243089.db2.gz ISVMYDBXWSGPSO-ZJUUUORDSA-N 1 0 305.287 2.436 10 0 DEAERO C[C@@](O)(C[NH2+][C@H](CO)C1CCCC1)C(F)(F)C(F)(F)F ZINC000724114983 777244520 /nfs/dbraw/zinc/24/45/20/777244520.db2.gz PXSVYFKFGWEVND-NXEZZACHSA-N 1 0 305.287 2.076 10 0 DEAERO CC(C)(CO)CCC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724116166 777245288 /nfs/dbraw/zinc/24/52/88/777245288.db2.gz OUTURXVXYPTXSP-SNVBAGLBSA-N 1 0 307.303 2.323 10 0 DEAERO CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000724624763 777407661 /nfs/dbraw/zinc/40/76/61/777407661.db2.gz UIWXFNMZRKCTMI-AGIUHOORSA-N 1 0 300.399 2.085 10 0 DEAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1 ZINC000174329983 777469371 /nfs/dbraw/zinc/46/93/71/777469371.db2.gz HQMCHPNGMRWFDJ-CDHAZOANSA-N 1 0 315.417 2.410 10 0 DEAERO C[C@H](COCc1ccccc1)C[N@H+](C)C1(CN)CCOCC1 ZINC000725064973 777576569 /nfs/dbraw/zinc/57/65/69/777576569.db2.gz WUOHXDJIBUANPX-INIZCTEOSA-N 1 0 306.450 2.279 10 0 DEAERO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc(Br)nc1 ZINC000309928580 778287038 /nfs/dbraw/zinc/28/70/38/778287038.db2.gz WSGBIVJUQPXPNM-PSASIEDQSA-N 1 0 305.241 2.046 10 0 DEAERO C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)C1C[NH2+]C1 ZINC000722218274 778510908 /nfs/dbraw/zinc/51/09/08/778510908.db2.gz GCUWORCYEKOVFB-QMMMGPOBSA-N 1 0 323.245 2.288 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000722251164 778551144 /nfs/dbraw/zinc/55/11/44/778551144.db2.gz CLPYVIPGVGQUAV-QPSCCSFWSA-N 1 0 311.470 2.314 10 0 DEAERO CN1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000721853497 780372546 /nfs/dbraw/zinc/37/25/46/780372546.db2.gz AIAKKABRMVNWIX-CQSZACIVSA-N 1 0 311.470 2.316 10 0 DEAERO Cn1nc(Br)cc1C[NH2+]CC[C@H]1CCSC1 ZINC000704810573 783480365 /nfs/dbraw/zinc/48/03/65/783480365.db2.gz BVKJSEARMJBDEP-VIFPVBQESA-N 1 0 304.257 2.415 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1ccc(Br)cc1 ZINC000723788388 787345129 /nfs/dbraw/zinc/34/51/29/787345129.db2.gz HPSZAYRLPLYCNA-ZJUUUORDSA-N 1 0 312.211 2.426 10 0 DEAERO COC[C@@H](CCO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217852613 789333702 /nfs/dbraw/zinc/33/37/02/789333702.db2.gz QVDVBSYGEIJDMJ-SNVBAGLBSA-N 1 0 306.175 2.075 10 0 DEAERO Cn1cc(CNC[C@@H]2CCCC[N@H+](C)C2)c(Br)n1 ZINC000712459050 792188710 /nfs/dbraw/zinc/18/87/10/792188710.db2.gz BUGNAWAXNYYQPE-NSHDSACASA-N 1 0 315.259 2.004 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2Br)C1(C)C ZINC000712469110 792190891 /nfs/dbraw/zinc/19/08/91/792190891.db2.gz FIMZKIXUFSLIMR-MNOVXSKESA-N 1 0 316.243 2.476 10 0 DEAERO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1cc(F)ccc1Cl ZINC000712516115 792192414 /nfs/dbraw/zinc/19/24/14/792192414.db2.gz VVKBUAXGTVZDLV-UHFFFAOYSA-N 1 0 320.817 2.242 10 0 DEAERO CC1(C)CC[NH2+]CCN1C(=O)c1ncccc1Br ZINC000712553988 792199697 /nfs/dbraw/zinc/19/96/97/792199697.db2.gz HMSKDZUOXIFNKZ-UHFFFAOYSA-N 1 0 312.211 2.058 10 0 DEAERO CCCn1cc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)nn1 ZINC000714476791 792323012 /nfs/dbraw/zinc/32/30/12/792323012.db2.gz MKJHUPFURDATSI-GFCCVEGCSA-N 1 0 311.430 2.081 10 0 DEAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@H]2CCn3ccnc32)C1 ZINC000715086479 792381548 /nfs/dbraw/zinc/38/15/48/792381548.db2.gz VKKUFHXXLZDKPE-BPCQOVAHSA-N 1 0 306.410 2.221 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000715138922 792396133 /nfs/dbraw/zinc/39/61/33/792396133.db2.gz YOAQWCODXNVVLX-NMFUWQPSSA-N 1 0 310.438 2.447 10 0 DEAERO O=C(NC12CC[NH+](CC1)C2)c1ccc(Br)c(F)c1 ZINC000715502818 792469634 /nfs/dbraw/zinc/46/96/34/792469634.db2.gz VDBDEDUQXOQUIY-UHFFFAOYSA-N 1 0 313.170 2.166 10 0 DEAERO CCCn1cc([C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)nn1 ZINC000715875003 792529387 /nfs/dbraw/zinc/52/93/87/792529387.db2.gz CMZNLENTTNOSGS-LBPRGKRZSA-N 1 0 311.430 2.254 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccc(S(N)(=O)=O)cc1 ZINC000715968967 792540330 /nfs/dbraw/zinc/54/03/30/792540330.db2.gz WPLCDBGSIZAXRV-ZJUUUORDSA-N 1 0 311.432 2.202 10 0 DEAERO c1ccc(COC2CC([NH2+]C[C@@H]3CN4CCC[C@@H]4CO3)C2)cc1 ZINC000716240992 792943993 /nfs/dbraw/zinc/94/39/93/792943993.db2.gz IBNJZPJTIWAFEV-JWHDQAAXSA-N 1 0 316.445 2.187 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000716567732 792973831 /nfs/dbraw/zinc/97/38/31/792973831.db2.gz PNGADEWDGOOYDP-NSHDSACASA-N 1 0 316.854 2.315 10 0 DEAERO C[C@H](NC(=O)c1occc1Br)C1CC[NH2+]CC1 ZINC000716653162 792983649 /nfs/dbraw/zinc/98/36/49/792983649.db2.gz YYLHELGRFKIKBF-QMMMGPOBSA-N 1 0 301.184 2.160 10 0 DEAERO NC(=O)C1CC([NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000716715666 793003224 /nfs/dbraw/zinc/00/32/24/793003224.db2.gz JIWJHBALQJTCMV-UHFFFAOYSA-N 1 0 317.614 2.456 10 0 DEAERO NC(=O)C1CC([NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000716782366 793006531 /nfs/dbraw/zinc/00/65/31/793006531.db2.gz BUPDGLHPWUXTTG-UHFFFAOYSA-N 1 0 319.149 2.081 10 0 DEAERO C=CCN1CCC([NH2+]Cc2ccccc2OCCOC)CC1 ZINC000083455654 796627049 /nfs/dbraw/zinc/62/70/49/796627049.db2.gz HJJBOMDIOKLCEQ-UHFFFAOYSA-N 1 0 304.434 2.452 10 0 DEAERO [NH3+][C@H]1CN(c2nnc(C(F)(F)F)s2)CC[C@@H]1C(F)(F)F ZINC000717095360 799195027 /nfs/dbraw/zinc/19/50/27/799195027.db2.gz RLKHYBYTOHNAQL-WHFBIAKZSA-N 1 0 320.262 2.273 10 0 DEAERO CC1(C)CO[C@H](CC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000717375098 799392245 /nfs/dbraw/zinc/39/22/45/799392245.db2.gz KOTRCERMNMMPFU-BFHYXJOUSA-N 1 0 303.468 2.137 10 0 DEAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000717507572 799419312 /nfs/dbraw/zinc/41/93/12/799419312.db2.gz FWUHLSFQMAOTSZ-RDBSUJKOSA-N 1 0 302.484 2.072 10 0 DEAERO COCCOCCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000088670866 800909538 /nfs/dbraw/zinc/90/95/38/800909538.db2.gz AVQTVUQNYXKZSM-WMZOPIPTSA-N 1 0 306.450 2.150 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000401693672 801842542 /nfs/dbraw/zinc/84/25/42/801842542.db2.gz ISDNNIYZUITXCX-KFWWJZLASA-N 1 0 323.481 2.458 10 0 DEAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2CO)CN(C(=O)OC(C)(C)C)C1 ZINC000401774112 801849583 /nfs/dbraw/zinc/84/95/83/801849583.db2.gz LIEWXITYRMXGSV-GBJTYRQASA-N 1 0 312.454 2.383 10 0 DEAERO C[C@@H]([NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)[C@H](C)CO ZINC000401776415 801849648 /nfs/dbraw/zinc/84/96/48/801849648.db2.gz SOLCIQBIWDJGKV-SYQHCUMBSA-N 1 0 300.443 2.238 10 0 DEAERO CC(C)=CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404199737 802007490 /nfs/dbraw/zinc/00/74/90/802007490.db2.gz HQNAEJVZBCKBRF-ZWKOTPCHSA-N 1 0 314.429 2.455 10 0 DEAERO O=C(Nc1ccc(Br)nc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407248712 802192144 /nfs/dbraw/zinc/19/21/44/802192144.db2.gz DFLFCHKCWAFKFA-MNOVXSKESA-N 1 0 310.195 2.313 10 0 DEAERO C=CCOc1cccc(C[NH2+]CCNC(=O)c2ccco2)c1 ZINC000025051099 1078174247 /nfs/dbraw/zinc/17/42/47/1078174247.db2.gz IVBBWIMXFFXBSQ-UHFFFAOYSA-N 1 0 300.358 2.364 10 0 DEAERO C[C@H]([NH3+])CCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000070316340 1079983010 /nfs/dbraw/zinc/98/30/10/1079983010.db2.gz NLNDHPQKNWXVFM-NSHDSACASA-N 1 0 315.870 2.173 10 0 DEAERO C/C=C/C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717922436 1081787422 /nfs/dbraw/zinc/78/74/22/1081787422.db2.gz ZBKIOKZKQFCCTE-QHHAFSJGSA-N 1 0 302.418 2.096 10 0 DEAERO O=C(CCC[NH2+]Cc1ncc(Br)s1)NC1CC1 ZINC000713717828 1082006933 /nfs/dbraw/zinc/00/69/33/1082006933.db2.gz FZLIMMDRNFULHY-UHFFFAOYSA-N 1 0 318.240 2.054 10 0 DEAERO CN(Cc1cccc(Br)c1)C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000720975653 1085215034 /nfs/dbraw/zinc/21/50/34/1085215034.db2.gz QKYKRIVUYHNQFC-RDBSUJKOSA-N 1 0 323.234 2.263 10 0 DEAERO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000720509194 1085261942 /nfs/dbraw/zinc/26/19/42/1085261942.db2.gz GXXKFWYDYQEMCG-OLZOCXBDSA-N 1 0 314.886 2.051 10 0 DEAERO C[NH2+]C[C@@H](C)c1noc(-c2nscc2Br)n1 ZINC000721038696 1085595173 /nfs/dbraw/zinc/59/51/73/1085595173.db2.gz NMGDBTCLILTWNK-RXMQYKEDSA-N 1 0 303.185 2.279 10 0 DEAERO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2cccs2)C[C@H]1C(F)(F)F ZINC000720812344 1086153044 /nfs/dbraw/zinc/15/30/44/1086153044.db2.gz UBOMZTFDAGMIAN-IDFWJGBYSA-N 1 0 304.337 2.357 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(Br)o1 ZINC000720818981 1086169436 /nfs/dbraw/zinc/16/94/36/1086169436.db2.gz WSDOVTHUARUOKQ-VHSXEESVSA-N 1 0 313.195 2.351 10 0 DEAERO COc1cncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000700056112 1086308335 /nfs/dbraw/zinc/30/83/35/1086308335.db2.gz JQDOCQPVCRRZHB-NWDGAFQWSA-N 1 0 309.410 2.482 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@H]2CCCSCC2)CO1 ZINC000703402272 1086496860 /nfs/dbraw/zinc/49/68/60/1086496860.db2.gz ZMSPVUFTFNWPSD-RYUDHWBXSA-N 1 0 302.440 2.413 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2CCCSCC2)CO1 ZINC000703402269 1086496985 /nfs/dbraw/zinc/49/69/85/1086496985.db2.gz ZMSPVUFTFNWPSD-NEPJUHHUSA-N 1 0 302.440 2.413 10 0 DEAERO Cc1c(Br)cccc1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703550669 1086515370 /nfs/dbraw/zinc/51/53/70/1086515370.db2.gz UGBRCEYNEMIOML-XHDPSFHLSA-N 1 0 323.234 2.439 10 0 DEAERO CCOCC(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705935740 1086627820 /nfs/dbraw/zinc/62/78/20/1086627820.db2.gz VFCADRBRUCOUEG-OALUTQOASA-N 1 0 316.445 2.394 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)CCO1 ZINC000705913871 1086629099 /nfs/dbraw/zinc/62/90/99/1086629099.db2.gz GZKZMEVMBYCBTJ-UONOGXRCSA-N 1 0 316.442 2.027 10 0 DEAERO Cc1ncc(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)n1C ZINC000706483939 1086639697 /nfs/dbraw/zinc/63/96/97/1086639697.db2.gz LTJDXKARSGXUMK-UHFFFAOYSA-N 1 0 320.437 2.218 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H](NCc2ccncc2Cl)CO1 ZINC000707707208 1086675983 /nfs/dbraw/zinc/67/59/83/1086675983.db2.gz NJKBUYXQRDJNCI-LLVKDONJSA-N 1 0 313.785 2.376 10 0 DEAERO O=C1NCC[C@@H]1[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000710419645 1086688540 /nfs/dbraw/zinc/68/85/40/1086688540.db2.gz GBJAOWANSPUONY-GDKBPFBDSA-N 1 0 309.207 2.173 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CCN(C(C)(C)C)C2)C1 ZINC000710983044 1086692488 /nfs/dbraw/zinc/69/24/88/1086692488.db2.gz STUDODUATCSJDP-AWEZNQCLSA-N 1 0 311.470 2.316 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000710968883 1086692605 /nfs/dbraw/zinc/69/26/05/1086692605.db2.gz VJZYOOFKUQMKLQ-IAGOWNOFSA-N 1 0 304.434 2.392 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1C(=O)NCCCCOCc1ccccc1 ZINC000711310777 1087051098 /nfs/dbraw/zinc/05/10/98/1087051098.db2.gz CZQIJSQLDMJPLV-MRXNPFEDSA-N 1 0 304.434 2.345 10 0 DEAERO C[C@H](CCCCO)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711448777 1087117195 /nfs/dbraw/zinc/11/71/95/1087117195.db2.gz GCVSXTXGSAEPBQ-MCIONIFRSA-N 1 0 300.443 2.430 10 0 DEAERO CCCN1CC[C@@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711484884 1087134884 /nfs/dbraw/zinc/13/48/84/1087134884.db2.gz NUMDSFVXSQMHDH-KFWWJZLASA-N 1 0 311.470 2.364 10 0 DEAERO CC[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C(C)(C)O ZINC000711486000 1087136929 /nfs/dbraw/zinc/13/69/29/1087136929.db2.gz XQBGWIHQZHQJMV-FRRDWIJNSA-N 1 0 300.443 2.429 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000718557947 1088581919 /nfs/dbraw/zinc/58/19/19/1088581919.db2.gz IZNIZJCTMWSSIY-UHFFFAOYSA-N 1 0 315.186 2.332 10 0 DEAERO COCC(C)(C)CC[NH2+]Cc1cc(Br)nn1C ZINC000718770694 1088646818 /nfs/dbraw/zinc/64/68/18/1088646818.db2.gz WRXKMHURIMNHQK-UHFFFAOYSA-N 1 0 304.232 2.335 10 0 DEAERO COCC(C)(C)CCNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000718942482 1088715440 /nfs/dbraw/zinc/71/54/40/1088715440.db2.gz MUVQGOFMPURMOZ-GOEBONIOSA-N 1 0 322.449 2.098 10 0 DEAERO CCOC(=O)c1ncc(C[NH2+]CCC(C)(C)COC)s1 ZINC000718964123 1088743046 /nfs/dbraw/zinc/74/30/46/1088743046.db2.gz KLHQIKFWSUXHPI-UHFFFAOYSA-N 1 0 300.424 2.472 10 0 DEAERO Cc1nc(C[NH2+]CCc2cncn2C)sc1Br ZINC000719312230 1088933494 /nfs/dbraw/zinc/93/34/94/1088933494.db2.gz YJQJOJCUENDJSJ-UHFFFAOYSA-N 1 0 315.240 2.280 10 0 DEAERO Cc1nc(C[NH2+]C[C@H]2CC[C@@H](O)C2)sc1Br ZINC000719303360 1088940850 /nfs/dbraw/zinc/94/08/50/1088940850.db2.gz BFZHACQQJPVXNU-DTWKUNHWSA-N 1 0 305.241 2.465 10 0 DEAERO C[C@@H]1[C@H](NC(=O)c2csc(Br)c2)CC[N@@H+]1C ZINC000719387045 1089056803 /nfs/dbraw/zinc/05/68/03/1089056803.db2.gz WGPYBEXFNPIERV-VXNVDRBHSA-N 1 0 303.225 2.333 10 0 DEAERO CCn1cc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000719383942 1089077639 /nfs/dbraw/zinc/07/76/39/1089077639.db2.gz AMSBSUANHLGKIO-GXSJLCMTSA-N 1 0 314.227 2.093 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000719572271 1089308150 /nfs/dbraw/zinc/30/81/50/1089308150.db2.gz UJRAAPJXEAYFQD-YJNKXOJESA-N 1 0 311.470 2.457 10 0 DEAERO O=C(NCc1ccccc1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720446914 1089937019 /nfs/dbraw/zinc/93/70/19/1089937019.db2.gz HJHNSGPHKIYFQS-CABCVRRESA-N 1 0 305.447 2.066 10 0 DEAERO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1cnn(C)c1 ZINC000724024389 1143896418 /nfs/dbraw/zinc/89/64/18/1143896418.db2.gz PYIHBYINKRSOMZ-CBAPKCEASA-N 1 0 301.259 2.019 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC[C@H]1C ZINC000724112497 1143953216 /nfs/dbraw/zinc/95/32/16/1143953216.db2.gz UEZSKSCIPWNTDC-BBBLOLIVSA-N 1 0 305.287 2.292 10 0 DEAERO C[NH2+][C@@H](C)c1ccc2c(c1)CCCN2S(=O)(=O)C(F)F ZINC000162079735 197542697 /nfs/dbraw/zinc/54/26/97/197542697.db2.gz KIBNPVIUGDSJTN-VIFPVBQESA-N 1 0 304.362 2.272 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000278296472 214073122 /nfs/dbraw/zinc/07/31/22/214073122.db2.gz HOQNURYFBHTISP-CXAGYDPISA-N 1 0 317.433 2.224 10 0 DEAERO CCN(C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)C1CC1 ZINC000074767297 185016623 /nfs/dbraw/zinc/01/66/23/185016623.db2.gz ACMVEPGXRLPHDF-UHFFFAOYSA-N 1 0 322.497 2.131 10 0 DEAERO C[NH2+][C@H](CSCCS(C)(=O)=O)c1cc(C)ccc1OC ZINC000081768991 192323330 /nfs/dbraw/zinc/32/33/30/192323330.db2.gz GOOAWVTZWYPIDD-CYBMUJFWSA-N 1 0 317.476 2.042 10 0 DEAERO CCC[NH2+][C@@H](CSCC(=O)OC)c1ccc2c(c1)OCO2 ZINC000081794036 192324236 /nfs/dbraw/zinc/32/42/36/192324236.db2.gz NLDWWMVXXHCQPW-LBPRGKRZSA-N 1 0 311.403 2.362 10 0 DEAERO C[NH2+][C@@H](CSCCC(=O)OC)c1ccc(OC)c(OC)c1 ZINC000081789986 192324642 /nfs/dbraw/zinc/32/46/42/192324642.db2.gz SPVBNWVRPOTIAB-LBPRGKRZSA-N 1 0 313.419 2.261 10 0 DEAERO CC[NH2+][C@H](CSCC(=O)OCC)c1ccc2c(c1)OCO2 ZINC000081795697 192324882 /nfs/dbraw/zinc/32/48/82/192324882.db2.gz PSBGHJXDLNRFOL-GFCCVEGCSA-N 1 0 311.403 2.362 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@H]1Sc1nccc(C)n1)OCCO2 ZINC000081876752 192333134 /nfs/dbraw/zinc/33/31/34/192333134.db2.gz QLBSNZUWGRHDAN-QWHCGFSZSA-N 1 0 309.435 2.151 10 0 DEAERO C[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nc(C)cc(C)n1)OCCO2 ZINC000081878181 192333215 /nfs/dbraw/zinc/33/32/15/192333215.db2.gz SDEBYDSDHGUJJD-OLZOCXBDSA-N 1 0 309.435 2.069 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1SC1CCOCC1)OCCO2 ZINC000081891621 192333808 /nfs/dbraw/zinc/33/38/08/192333808.db2.gz DRGJSNRLDWBMKS-KGLIPLIRSA-N 1 0 301.452 2.172 10 0 DEAERO CC[NH2+][C@@H](c1ccccc1)[C@H](CC)Sc1n[nH]c(=O)n1C ZINC000081880392 192333979 /nfs/dbraw/zinc/33/39/79/192333979.db2.gz FCMCDJDONASMIS-STQMWFEESA-N 1 0 306.435 2.330 10 0 DEAERO COc1ccc2c(c1)CC[C@@H](Sc1nnc(C)n1C)[C@H]2[NH3+] ZINC000081886135 192334154 /nfs/dbraw/zinc/33/41/54/192334154.db2.gz PCWTZLGWYXRNGI-KGLIPLIRSA-N 1 0 304.419 2.239 10 0 DEAERO CCC[NH2+][C@H](CSc1n[nH]c(=O)n1C)c1ccc(C)cc1 ZINC000081880491 192334482 /nfs/dbraw/zinc/33/44/82/192334482.db2.gz IOGGYIDUUSBNQG-CYBMUJFWSA-N 1 0 306.435 2.250 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1Sc1ccncn1)OCCO2 ZINC000081886888 192334620 /nfs/dbraw/zinc/33/46/20/192334620.db2.gz NHZGFXARHPHFQM-CHWSQXEVSA-N 1 0 309.435 2.233 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCCCC1 ZINC000346494472 290007244 /nfs/dbraw/zinc/00/72/44/290007244.db2.gz QGKIOGRSADMACB-DZGCQCFKSA-N 1 0 302.484 2.359 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1cc(C)ccc1C ZINC000081922256 192338390 /nfs/dbraw/zinc/33/83/90/192338390.db2.gz RGSIAGDBFVJNAV-ZBFHGGJFSA-N 1 0 311.447 2.234 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(CCOC)Cc2ccc(C)o2)C1 ZINC000151451397 282117210 /nfs/dbraw/zinc/11/72/10/282117210.db2.gz CFXGMUNWFRKRSD-HNNXBMFYSA-N 1 0 323.437 2.230 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000081921888 192339025 /nfs/dbraw/zinc/33/90/25/192339025.db2.gz YHSCOZLAEXEZIV-HOTGVXAUSA-N 1 0 311.447 2.234 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc(C)cc1C ZINC000081922489 192339334 /nfs/dbraw/zinc/33/93/34/192339334.db2.gz PCHSXTHLQDRATE-GOEBONIOSA-N 1 0 311.447 2.234 10 0 DEAERO C[NH2+][C@@H]1CC[C@@](C)(c2c(Br)cnn2CCOC)C1 ZINC000163311675 197622819 /nfs/dbraw/zinc/62/28/19/197622819.db2.gz ABDZOHAQTKUPRI-ZWNOBZJWSA-N 1 0 316.243 2.322 10 0 DEAERO NC(=[NH2+])c1ccc(CSc2n[nH]c(=O)n2C2CC2)c(Cl)c1 ZINC000163456445 197631980 /nfs/dbraw/zinc/63/19/80/197631980.db2.gz MJVJVSIGYQOYBH-UHFFFAOYSA-N 1 0 323.809 2.136 10 0 DEAERO [NH3+]C/C=C/CNC(=O)c1cccc(Br)c1Cl ZINC000164495794 197654420 /nfs/dbraw/zinc/65/44/20/197654420.db2.gz BWFNWDMLVLKYBV-OWOJBTEDSA-N 1 0 303.587 2.347 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)c1ccccc1Br)C1CC1 ZINC000081931505 192341513 /nfs/dbraw/zinc/34/15/13/192341513.db2.gz RKSMPNWKXPKXIW-LLVKDONJSA-N 1 0 318.236 2.221 10 0 DEAERO [NH3+]CCNCc1cc(Br)ccc1Br ZINC000164514555 197654740 /nfs/dbraw/zinc/65/47/40/197654740.db2.gz RXOAHKNFBPVVBK-UHFFFAOYSA-N 1 0 308.017 2.260 10 0 DEAERO CCC[C@@H](CS(=O)(=O)c1ccc2c(c1)OCCCO2)[NH2+]C ZINC000081936280 192342919 /nfs/dbraw/zinc/34/29/19/192342919.db2.gz LDVSYOIJHCIYBU-LBPRGKRZSA-N 1 0 313.419 2.010 10 0 DEAERO CCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1S(=O)(=O)CCOC ZINC000081944539 192345127 /nfs/dbraw/zinc/34/51/27/192345127.db2.gz URKPGMHITAUUHX-JKSUJKDBSA-N 1 0 311.447 2.103 10 0 DEAERO Cc1ccc(F)c(CCNC(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000612984303 361971453 /nfs/dbraw/zinc/97/14/53/361971453.db2.gz BFOFKBUOSVLRIT-HNNXBMFYSA-N 1 0 305.397 2.118 10 0 DEAERO CCC[C@H](CC[NH3+])CCC(=O)N(CC(=O)OCC)C(C)C ZINC000079239156 185162364 /nfs/dbraw/zinc/16/23/64/185162364.db2.gz WZLGMLZRAWTFRA-AWEZNQCLSA-N 1 0 300.443 2.332 10 0 DEAERO Cc1[nH]nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000082337612 185176276 /nfs/dbraw/zinc/17/62/76/185176276.db2.gz GFIFEBQTPZSFMV-UHFFFAOYSA-N 1 0 313.405 2.031 10 0 DEAERO CN(C(=O)c1sccc1Br)[C@H]1CCC[NH2+]C1 ZINC000082614204 185191271 /nfs/dbraw/zinc/19/12/71/185191271.db2.gz YODCIUVJJPQTBP-QMMMGPOBSA-N 1 0 303.225 2.335 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2ccc(Br)s2)CCC1=O ZINC000082756507 185202313 /nfs/dbraw/zinc/20/23/13/185202313.db2.gz MDLHQYNJGSLTDN-QMMMGPOBSA-N 1 0 303.225 2.221 10 0 DEAERO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1CCCOC1 ZINC000171589940 295678230 /nfs/dbraw/zinc/67/82/30/295678230.db2.gz AUORJIKNWPUDEC-DLBZAZTESA-N 1 0 317.433 2.302 10 0 DEAERO [NH3+][C@H]1CC[C@H](S(=O)(=O)c2cccc(Br)c2)C1 ZINC000082820124 185208485 /nfs/dbraw/zinc/20/84/85/185208485.db2.gz LKTXRUPIHSFZCZ-ONGXEEELSA-N 1 0 304.209 2.103 10 0 DEAERO C[C@@H]1CN(c2ccccc2I)[C@@H](C)C[NH2+]1 ZINC000083085506 185212781 /nfs/dbraw/zinc/21/27/81/185212781.db2.gz VTAMMRLUYHMZKF-ZJUUUORDSA-N 1 0 316.186 2.478 10 0 DEAERO Cc1nc(C)c(C[NH2+][C@H]2CCCN(c3ncc[nH]c3=O)C2)s1 ZINC000328631305 231267613 /nfs/dbraw/zinc/26/76/13/231267613.db2.gz KHCIUDNRKZZGNX-LBPRGKRZSA-N 1 0 319.434 2.014 10 0 DEAERO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2C[C@H]2CCc3ccccc3C2)n1 ZINC000328624474 231256206 /nfs/dbraw/zinc/25/62/06/231256206.db2.gz JYPKVFZBMRUEHG-IAOVAPTHSA-N 1 0 313.401 2.291 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)Nc1nncs1)c1ccc(F)cc1 ZINC000048039768 282176962 /nfs/dbraw/zinc/17/69/62/282176962.db2.gz PEJJVZYLZFHMPQ-NSHDSACASA-N 1 0 309.370 2.102 10 0 DEAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)n1-c1nccs1 ZINC000170867101 282180555 /nfs/dbraw/zinc/18/05/55/282180555.db2.gz UIAUSTAXUPPHKR-CYBMUJFWSA-N 1 0 318.446 2.327 10 0 DEAERO [NH3+]C[C@H](c1ccccc1Br)[C@@H](O)[C@@H]1CCCOC1 ZINC000087381620 185223152 /nfs/dbraw/zinc/22/31/52/185223152.db2.gz FILNBJCOXACQLU-QKCSRTOESA-N 1 0 314.223 2.279 10 0 DEAERO CC(C)[C@@H](C[NH3+])NC(=O)c1ccc(Br)cc1F ZINC000087403309 185223657 /nfs/dbraw/zinc/22/36/57/185223657.db2.gz NKYDQBRXCSEPAR-LLVKDONJSA-N 1 0 303.175 2.301 10 0 DEAERO CC(C)c1nnsc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000087442770 185225214 /nfs/dbraw/zinc/22/52/14/185225214.db2.gz IDBCISBNNPZUCJ-VXGBXAGGSA-N 1 0 308.451 2.266 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000087455274 185225533 /nfs/dbraw/zinc/22/55/33/185225533.db2.gz VNOMNCDRRKNNTI-UHFFFAOYSA-N 1 0 323.447 2.190 10 0 DEAERO CCC[NH2+]Cc1snnc1-c1ccc(S(C)(=O)=O)cc1 ZINC000087457451 185225816 /nfs/dbraw/zinc/22/58/16/185225816.db2.gz PILMJBFMGDTUEI-UHFFFAOYSA-N 1 0 311.432 2.108 10 0 DEAERO C[NH2+]CCCN(C)CC(=O)c1ccc(Br)s1 ZINC000087472072 185225840 /nfs/dbraw/zinc/22/58/40/185225840.db2.gz YRRWJHFEHPIHPE-UHFFFAOYSA-N 1 0 305.241 2.235 10 0 DEAERO CC(C)[C@H](C[NH3+])C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000087531926 185227796 /nfs/dbraw/zinc/22/77/96/185227796.db2.gz KIXBBAQYZPTLDG-ZDUSSCGKSA-N 1 0 300.349 2.178 10 0 DEAERO CC(C)[C@H](C[NH3+])C(=O)N(C)Cc1ccc(Br)o1 ZINC000087527156 185227805 /nfs/dbraw/zinc/22/78/05/185227805.db2.gz ICERJGLOBBVWSA-JTQLQIEISA-N 1 0 303.200 2.231 10 0 DEAERO CCOC(=O)COC[C@H]([NH3+])c1sccc1Br ZINC000087630825 185229517 /nfs/dbraw/zinc/22/95/17/185229517.db2.gz VFOJLZUMYHALFG-QMMMGPOBSA-N 1 0 308.197 2.090 10 0 DEAERO CC1(C)CCCN(S(=O)(=O)c2ccc(C[NH3+])s2)CC1 ZINC000087658810 185230007 /nfs/dbraw/zinc/23/00/07/185230007.db2.gz AIBXZVZRMATTCB-UHFFFAOYSA-N 1 0 302.465 2.408 10 0 DEAERO CC1(C)CCCN(c2nc(NN)[nH+]cc2Br)C1 ZINC000087879222 185234472 /nfs/dbraw/zinc/23/44/72/185234472.db2.gz ORIAXDXMKMXDIE-UHFFFAOYSA-N 1 0 300.204 2.151 10 0 DEAERO CCc1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)nc(C)n1 ZINC000302069677 529536125 /nfs/dbraw/zinc/53/61/25/529536125.db2.gz DUNQRRKNPWZICJ-KRWDZBQOSA-N 1 0 318.465 2.429 10 0 DEAERO C[C@H](CC[NH3+])S(=O)(=O)Cc1cc(Br)cs1 ZINC000088088162 185239500 /nfs/dbraw/zinc/23/95/00/185239500.db2.gz QCPHEEFRIJQXSJ-SSDOTTSWSA-N 1 0 312.254 2.163 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@]1(C[NH3+])Nc1ccc(Cl)cc1 ZINC000087914284 185237270 /nfs/dbraw/zinc/23/72/70/185237270.db2.gz KSFCWLZBWULAKX-CHWSQXEVSA-N 1 0 302.827 2.047 10 0 DEAERO [NH3+]C[C@@H](NC[C@@H]1CCCO1)c1ccc(Br)cc1F ZINC000087928578 185237637 /nfs/dbraw/zinc/23/76/37/185237637.db2.gz FCIKQTIYEWDMAR-GXFFZTMASA-N 1 0 317.202 2.357 10 0 DEAERO C[C@H](C[NH3+])CC(=O)Nc1ccccc1I ZINC000087983150 185237906 /nfs/dbraw/zinc/23/79/06/185237906.db2.gz XGXHXGYKNWIKAS-QMMMGPOBSA-N 1 0 318.158 2.215 10 0 DEAERO C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000174351469 282193584 /nfs/dbraw/zinc/19/35/84/282193584.db2.gz ASBINLYGQMCIRW-YPMHNXCESA-N 1 0 311.376 2.462 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC2C[C@H](C)C[C@@H](C)C2)o1 ZINC000088551436 185257387 /nfs/dbraw/zinc/25/73/87/185257387.db2.gz PFROBEVAPDEWDH-GHMZBOCLSA-N 1 0 300.424 2.102 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)o1 ZINC000088541837 185255590 /nfs/dbraw/zinc/25/55/90/185255590.db2.gz YMLDTPSIWOQEHB-UHFFFAOYSA-N 1 0 314.794 2.131 10 0 DEAERO CC(C)(C)CNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088542820 185256484 /nfs/dbraw/zinc/25/64/84/185256484.db2.gz AUHZSSOHYBDWPF-UHFFFAOYSA-N 1 0 302.440 2.492 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCCCCC2)o1 ZINC000088543588 185256708 /nfs/dbraw/zinc/25/67/08/185256708.db2.gz QETMWIWHFBAXTP-UHFFFAOYSA-N 1 0 300.424 2.344 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1cccc(Cl)c1 ZINC000081982189 192348714 /nfs/dbraw/zinc/34/87/14/192348714.db2.gz XPTQWDBTHQVZHO-UONOGXRCSA-N 1 0 317.838 2.271 10 0 DEAERO CC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C[NH2+]C)o2)[C@@H]1C ZINC000088551522 185257702 /nfs/dbraw/zinc/25/77/02/185257702.db2.gz FUMUVRCJNQESAA-NQBHXWOUSA-N 1 0 300.424 2.102 10 0 DEAERO CC[NH2+][C@@H](Cc1ncnn1C)c1ccccc1Br ZINC000088581939 185258466 /nfs/dbraw/zinc/25/84/66/185258466.db2.gz LWJWKWTURLNKTH-LBPRGKRZSA-N 1 0 309.211 2.471 10 0 DEAERO C[NH2+]C[C@H](Cc1ncnn1C)Cc1ccccc1Br ZINC000088583158 185258524 /nfs/dbraw/zinc/25/85/24/185258524.db2.gz PDVDBLZGJYHFLB-NSHDSACASA-N 1 0 323.238 2.198 10 0 DEAERO CC[NH2+][C@H](C)C1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC000088714746 185262922 /nfs/dbraw/zinc/26/29/22/185262922.db2.gz ITMVAGQPRYPCKF-CQSZACIVSA-N 1 0 310.463 2.394 10 0 DEAERO CC[NH2+]Cc1ncnn1Cc1ccc(F)c(Br)c1 ZINC000088628741 185260401 /nfs/dbraw/zinc/26/04/01/185260401.db2.gz IQKMFRSLDYTWCB-UHFFFAOYSA-N 1 0 313.174 2.338 10 0 DEAERO CC[NH2+]Cc1ncnn1Cc1ccc(OC(F)(F)F)cc1 ZINC000088628781 185260492 /nfs/dbraw/zinc/26/04/92/185260492.db2.gz CHAHZQQYNNAYLG-UHFFFAOYSA-N 1 0 300.284 2.335 10 0 DEAERO C[N@@H+]1CC[C@@H](CNC(=O)c2sc3ccc(F)cc3c2N)C1 ZINC000088640957 185260888 /nfs/dbraw/zinc/26/08/88/185260888.db2.gz XLTHIKGPTFUSJZ-VIFPVBQESA-N 1 0 307.394 2.304 10 0 DEAERO Cc1ccc2c(N)c(C(=O)N[C@H]3CCCC[C@@H]3[NH3+])sc2n1 ZINC000088641342 185261056 /nfs/dbraw/zinc/26/10/56/185261056.db2.gz JUMJZVLBFWEQCI-QWRGUYRKSA-N 1 0 304.419 2.187 10 0 DEAERO Cc1ccc2c(N)c(C(=O)N[C@@H](C)CC[NH+](C)C)sc2n1 ZINC000088641985 185261094 /nfs/dbraw/zinc/26/10/94/185261094.db2.gz FQVRPAHJPAKBGI-JTQLQIEISA-N 1 0 306.435 2.257 10 0 DEAERO CCOC(=O)[C@@H]1C[NH2+]CCN1c1ccccc1C(F)(F)F ZINC000088673401 185262116 /nfs/dbraw/zinc/26/21/16/185262116.db2.gz VUECUOUALGFNCO-LBPRGKRZSA-N 1 0 302.296 2.047 10 0 DEAERO COCCCS(=O)(=O)C[C@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000081985437 192349888 /nfs/dbraw/zinc/34/98/88/192349888.db2.gz DQZMXFUDTGHXOI-INIZCTEOSA-N 1 0 313.463 2.336 10 0 DEAERO CC[NH2+][C@@H]1CCCCCC[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081990073 192350191 /nfs/dbraw/zinc/35/01/91/192350191.db2.gz MWCRVSOHRPCKPB-HUUCEWRRSA-N 1 0 303.468 2.281 10 0 DEAERO CC(C)[C@@H]([C@H]([NH3+])c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000081989576 192350724 /nfs/dbraw/zinc/35/07/24/192350724.db2.gz SHACDKGKWZNSKO-CVEARBPZSA-N 1 0 311.447 2.305 10 0 DEAERO CCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000082011444 192353171 /nfs/dbraw/zinc/35/31/71/192353171.db2.gz AXCROSJEERQGIP-UHFFFAOYSA-N 1 0 306.225 2.222 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)CCCOC)c1ccc(CC)cc1 ZINC000082011574 192353362 /nfs/dbraw/zinc/35/33/62/192353362.db2.gz LEXWHGCSZWAUBZ-MRXNPFEDSA-N 1 0 313.463 2.351 10 0 DEAERO CC[C@H]([NH2+]C[C@@](C)(O)CO)c1ccc(Br)cc1 ZINC000090284256 185289461 /nfs/dbraw/zinc/28/94/61/185289461.db2.gz YARJWJNPZNEAKJ-QWHCGFSZSA-N 1 0 302.212 2.233 10 0 DEAERO Fc1ccc(-n2cc(C[NH2+]C3CC3)nn2)c(Br)c1 ZINC000090299632 185289984 /nfs/dbraw/zinc/28/99/84/185289984.db2.gz VRNMRGTVDRCWDP-UHFFFAOYSA-N 1 0 311.158 2.421 10 0 DEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1sccc1Br ZINC000090324630 185291129 /nfs/dbraw/zinc/29/11/29/185291129.db2.gz FFLXUHOZJWKXME-HLTSFMKQSA-N 1 0 315.236 2.191 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)COc1cccc(Cl)c1 ZINC000090336137 185291472 /nfs/dbraw/zinc/29/14/72/185291472.db2.gz ZRWXTMZVMJJYHL-SMDDNHRTSA-N 1 0 308.809 2.175 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1noc(-c2cccs2)n1 ZINC000090332107 185291673 /nfs/dbraw/zinc/29/16/73/185291673.db2.gz OKTVIGNSXAMTFE-IJLUTSLNSA-N 1 0 304.419 2.228 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1 ZINC000090332835 185291700 /nfs/dbraw/zinc/29/17/00/185291700.db2.gz RMAIFPBPYNUMBX-KCPJHIHWSA-N 1 0 307.825 2.208 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1cn2cc(Cl)ccc2n1 ZINC000090332591 185291711 /nfs/dbraw/zinc/29/17/11/185291711.db2.gz PAISCCPHHWUXFD-BYCMXARLSA-N 1 0 304.825 2.418 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1c1nc(-c2ccc(Br)s2)no1 ZINC000090364812 185292781 /nfs/dbraw/zinc/29/27/81/185292781.db2.gz GASXRQZMWHFCFF-WDSKDSINSA-N 1 0 316.180 2.002 10 0 DEAERO CO[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)c1cccc(Cl)c1 ZINC000090173143 185284962 /nfs/dbraw/zinc/28/49/62/185284962.db2.gz YQJNFZDKIAQYGZ-AWEZNQCLSA-N 1 0 311.813 2.160 10 0 DEAERO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1COC[C@@H]1[NH3+] ZINC000090382177 185293755 /nfs/dbraw/zinc/29/37/55/185293755.db2.gz HLROCZJSWHXLJB-WLTAIBSBSA-N 1 0 317.216 2.487 10 0 DEAERO O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333566849 282957574 /nfs/dbraw/zinc/95/75/74/282957574.db2.gz MAFJKGZSRCXHOU-BBWFWOEESA-N 1 0 317.433 2.348 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090589949 185305422 /nfs/dbraw/zinc/30/54/22/185305422.db2.gz DSARACRUQUVKLX-UKRRQHHQSA-N 1 0 312.797 2.431 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090591499 185305468 /nfs/dbraw/zinc/30/54/68/185305468.db2.gz BYHSKWLZURGGFM-TZMCWYRMSA-N 1 0 317.216 2.316 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)C2CCC(C(=O)OC)CC2)CC1 ZINC000179486197 282226627 /nfs/dbraw/zinc/22/66/27/282226627.db2.gz VTUSCJXVEHAYNH-UHFFFAOYSA-N 1 0 324.465 2.204 10 0 DEAERO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090592330 185305941 /nfs/dbraw/zinc/30/59/41/185305941.db2.gz DOIFDGDWDUDZHP-HOCLYGCPSA-N 1 0 310.825 2.441 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(F)cc(F)c1F ZINC000090544847 185302119 /nfs/dbraw/zinc/30/21/19/185302119.db2.gz RPULISOGXIXFMB-BXKDBHETSA-N 1 0 302.296 2.057 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)NCc1ccc(Cl)s1 ZINC000090545849 185302193 /nfs/dbraw/zinc/30/21/93/185302193.db2.gz NMJYLAYBROKNFX-MNOVXSKESA-N 1 0 302.827 2.032 10 0 DEAERO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000166642230 197695595 /nfs/dbraw/zinc/69/55/95/197695595.db2.gz OFRIKZBDHGWKDO-VIFPVBQESA-N 1 0 300.811 2.344 10 0 DEAERO C[C@]1(c2nc(-c3ccccc3Br)no2)COC[C@@H]1[NH3+] ZINC000090573559 185304365 /nfs/dbraw/zinc/30/43/65/185304365.db2.gz OJEOYUVIUKZKHG-GWCFXTLKSA-N 1 0 324.178 2.114 10 0 DEAERO CCn1c2ccc(Br)cc2nc1[C@]1(C)COC[C@H]1[NH3+] ZINC000090571762 185304407 /nfs/dbraw/zinc/30/44/07/185304407.db2.gz SXEJPMZIKOSAKY-TZMCWYRMSA-N 1 0 324.222 2.434 10 0 DEAERO [NH3+]CC1(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)CCC1 ZINC000166871888 197700746 /nfs/dbraw/zinc/70/07/46/197700746.db2.gz GVHCQBJKZVUHDN-ZDUSSCGKSA-N 1 0 308.447 2.385 10 0 DEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1Sc1nnc(C)[nH]1 ZINC000092390068 185315552 /nfs/dbraw/zinc/31/55/52/185315552.db2.gz PZHACAURYLESRT-UONOGXRCSA-N 1 0 304.419 2.489 10 0 DEAERO Cc1noc(C)c1[C@H](C)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000092343045 185313167 /nfs/dbraw/zinc/31/31/67/185313167.db2.gz VKNQKEKZXKEVFH-LURJTMIESA-N 1 0 309.757 2.116 10 0 DEAERO C[C@H](C[NH3+])CS(=O)(=O)Cc1ccc(F)cc1Br ZINC000167348916 197707229 /nfs/dbraw/zinc/70/72/29/197707229.db2.gz GWSCDWASEVRITG-MRVPVSSYSA-N 1 0 324.215 2.098 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(F)ccc1C(N)=S ZINC000092629063 185330162 /nfs/dbraw/zinc/33/01/62/185330162.db2.gz PJNMUWNXZPVBNA-CQSZACIVSA-N 1 0 309.454 2.376 10 0 DEAERO C[C@@H](O)[C@@H]1CCN(c2ccc(C(N)=[NH2+])c(C(F)(F)F)c2)C1 ZINC000167798237 197714126 /nfs/dbraw/zinc/71/41/26/197714126.db2.gz WYJATPYBCWTGRQ-RKDXNWHRSA-N 1 0 301.312 2.197 10 0 DEAERO CC[C@](C)(O)COc1c(Br)cc(C[NH3+])cc1OC ZINC000167546391 197710833 /nfs/dbraw/zinc/71/08/33/197710833.db2.gz RVGQZVUOZCLLCB-ZDUSSCGKSA-N 1 0 318.211 2.456 10 0 DEAERO C[NH2+]Cc1ccccc1S(=O)(=O)NCC1C(C)(C)C1(C)C ZINC000092833111 185344948 /nfs/dbraw/zinc/34/49/48/185344948.db2.gz SVBMBQFOJODVHR-UHFFFAOYSA-N 1 0 310.463 2.367 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)c(C)o1 ZINC000092833276 185344994 /nfs/dbraw/zinc/34/49/94/185344994.db2.gz RSAVAPFOUIAXJU-UHFFFAOYSA-N 1 0 314.451 2.410 10 0 DEAERO CCC[C@H](C(=O)N1CCN([C@H](C)c2nccs2)CC1)[NH+](C)C ZINC000185760662 282266442 /nfs/dbraw/zinc/26/64/42/282266442.db2.gz MCQOUTDYFFJQAW-ZIAGYGMSSA-N 1 0 324.494 2.079 10 0 DEAERO COc1ccc(Br)cc1NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092956235 185350448 /nfs/dbraw/zinc/35/04/48/185350448.db2.gz XLEAIDXHMWTKSW-SCZZXKLOSA-N 1 0 313.195 2.394 10 0 DEAERO CSC[C@@H](C)N(C)S(=O)(=O)c1cc(C[NH3+])ccc1Cl ZINC000168565691 197725657 /nfs/dbraw/zinc/72/56/57/197725657.db2.gz VAFSPHMGOQHUOB-SECBINFHSA-N 1 0 322.883 2.171 10 0 DEAERO Brc1ccc(-n2cncc2[C@H]2C[NH2+]CCO2)cc1 ZINC000097013014 185397098 /nfs/dbraw/zinc/39/70/98/185397098.db2.gz PNHVKBVPNFQJLV-CYBMUJFWSA-N 1 0 308.179 2.296 10 0 DEAERO CC(=O)N1CCC([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000078911610 539371380 /nfs/dbraw/zinc/37/13/80/539371380.db2.gz RRJZJWABJYHUIR-MRXNPFEDSA-N 1 0 301.434 2.113 10 0 DEAERO CC(C)(C)OC(=O)CCCC[NH+]1CCN(c2cccnn2)CC1 ZINC000181674709 199336357 /nfs/dbraw/zinc/33/63/57/199336357.db2.gz QLJASRVKWUKUNT-UHFFFAOYSA-N 1 0 320.437 2.111 10 0 DEAERO CCC[N@@H+]1CC[C@H](O)[C@@H](Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000169966071 197762824 /nfs/dbraw/zinc/76/28/24/197762824.db2.gz HVPRORHJRFDKSJ-KBPBESRZSA-N 1 0 309.406 2.045 10 0 DEAERO CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c(O)c1 ZINC000090688314 539417669 /nfs/dbraw/zinc/41/76/69/539417669.db2.gz KWXRFOIZXVNTMV-OAHLLOKOSA-N 1 0 319.449 2.405 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)COC1(C)C[NH2+]C1 ZINC000098060976 539436000 /nfs/dbraw/zinc/43/60/00/539436000.db2.gz PQTKWDIJDGNWHZ-UHFFFAOYSA-N 1 0 312.797 2.446 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000245434424 282388311 /nfs/dbraw/zinc/38/83/11/282388311.db2.gz PURKYOQQCMMZLR-QBPKDAKJSA-N 1 0 307.482 2.240 10 0 DEAERO Cc1noc2nc(C)cc(C(=O)N3[C@H](C)C[NH+](C)C[C@H]3C)c12 ZINC000155028559 282417105 /nfs/dbraw/zinc/41/71/05/282417105.db2.gz HCRMNLYCZSAURL-GHMZBOCLSA-N 1 0 302.378 2.004 10 0 DEAERO C[C@@H]1CCC[C@](C[NH3+])(NS(=O)(=O)c2cccc(F)c2)C1 ZINC000111373898 185590017 /nfs/dbraw/zinc/59/00/17/185590017.db2.gz PIROZQPVKLRRBO-RISCZKNCSA-N 1 0 300.399 2.012 10 0 DEAERO CC(C)C[C@@H](C[NH3+])Nc1ccccc1S(=O)(=O)C(F)F ZINC000111377059 185590403 /nfs/dbraw/zinc/59/04/03/185590403.db2.gz VVUHKIGKWRMPJV-JTQLQIEISA-N 1 0 306.378 2.468 10 0 DEAERO COc1ccc(C[C@@H](C)C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000132413226 539502678 /nfs/dbraw/zinc/50/26/78/539502678.db2.gz NAOGCDJAUYWDDB-CQSZACIVSA-N 1 0 304.434 2.426 10 0 DEAERO CN(C)c1nnc(SCCOc2ccc(C[NH3+])cc2)s1 ZINC000111615136 185617753 /nfs/dbraw/zinc/61/77/53/185617753.db2.gz IKNHODFYCHISBU-UHFFFAOYSA-N 1 0 310.448 2.234 10 0 DEAERO [NH3+]CCc1cc(F)c(Sc2ncnc3[nH]cnc32)c(F)c1 ZINC000111585086 185614747 /nfs/dbraw/zinc/61/47/47/185614747.db2.gz BCZHHVCGLPBDLK-UHFFFAOYSA-N 1 0 307.329 2.284 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000111715974 185630188 /nfs/dbraw/zinc/63/01/88/185630188.db2.gz OXORHJHRICKEBD-WDEREUQCSA-N 1 0 318.389 2.247 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@H](C[NH2+]C3CC3)C2)s1 ZINC000111719625 185630828 /nfs/dbraw/zinc/63/08/28/185630828.db2.gz CHBZHFJRRLYRNU-GFCCVEGCSA-N 1 0 314.476 2.209 10 0 DEAERO CCC1(CC)[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C[C@H]1OC ZINC000261976953 282456315 /nfs/dbraw/zinc/45/63/15/282456315.db2.gz RFSHRWHNZISZGI-MZBWOGCUSA-N 1 0 310.482 2.327 10 0 DEAERO C[C@H]([NH2+]Cc1nccn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279659957 215040047 /nfs/dbraw/zinc/04/00/47/215040047.db2.gz DBGYAVRWKHUZAG-QWHCGFSZSA-N 1 0 308.426 2.155 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)c2ccc(C[NH3+])o2)no1 ZINC000155029658 539557148 /nfs/dbraw/zinc/55/71/48/539557148.db2.gz BOJRFRJEVZLSOV-NSHDSACASA-N 1 0 304.350 2.222 10 0 DEAERO CC[C@@H](O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000123918298 185856636 /nfs/dbraw/zinc/85/66/36/185856636.db2.gz LMSOYGCNVIDWJO-MRXNPFEDSA-N 1 0 302.418 2.059 10 0 DEAERO C[NH+](C)CCCOc1cc(Br)ccc1C(N)=S ZINC000123942506 185859662 /nfs/dbraw/zinc/85/96/62/185859662.db2.gz GCOOUWNKIVPGJX-UHFFFAOYSA-N 1 0 317.252 2.414 10 0 DEAERO CCC[NH2+]C[C@H](O)C[S@](=O)c1cccc(C(F)(F)F)c1 ZINC000123982170 185863918 /nfs/dbraw/zinc/86/39/18/185863918.db2.gz NPCMPWUQMDVVOO-PRWKNARSSA-N 1 0 309.353 2.174 10 0 DEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)[C@H]1Cc2ccccc2O1 ZINC000126553892 185873255 /nfs/dbraw/zinc/87/32/55/185873255.db2.gz QSXRSNNIHDVWHL-GDBMZVCRSA-N 1 0 311.447 2.183 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000070120672 190859424 /nfs/dbraw/zinc/85/94/24/190859424.db2.gz HYMJKQVCIBEUKY-OAHLLOKOSA-N 1 0 310.463 2.306 10 0 DEAERO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)c1ccc(Br)o1 ZINC000070180125 190869157 /nfs/dbraw/zinc/86/91/57/190869157.db2.gz NIBYVFUYGSLFNQ-DTWKUNHWSA-N 1 0 301.184 2.242 10 0 DEAERO C[C@@H]([NH2+]Cc1cn2cccnc2n1)c1ccc(-n2cncn2)cc1 ZINC000176855437 539628612 /nfs/dbraw/zinc/62/86/12/539628612.db2.gz PMQODRTYQTVTSR-CYBMUJFWSA-N 1 0 319.372 2.161 10 0 DEAERO CCc1csc([C@@H]2CCCN(C(=O)NC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000333830137 282975413 /nfs/dbraw/zinc/97/54/13/282975413.db2.gz MJUDHIXUHWSVMZ-CHWSQXEVSA-N 1 0 322.478 2.204 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC3CC3)c2)[C@H](C)C1 ZINC000177869132 539633197 /nfs/dbraw/zinc/63/31/97/539633197.db2.gz ZPKDVZCNGXXPTF-CJNGLKHVSA-N 1 0 319.453 2.487 10 0 DEAERO CCOc1ccccc1[C@H](CC)[NH2+]C[C@H](O)CN1CCCC1=O ZINC000179741302 539642335 /nfs/dbraw/zinc/64/23/35/539642335.db2.gz YFKFOTFXDULKJH-HOCLYGCPSA-N 1 0 320.433 2.109 10 0 DEAERO Fc1cccc(-c2cc3c(N4CCC[NH2+]CC4)nccn3n2)c1 ZINC000070459182 190897927 /nfs/dbraw/zinc/89/79/27/190897927.db2.gz DAKBNTWQSJXTIL-UHFFFAOYSA-N 1 0 311.364 2.335 10 0 DEAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000181035362 539647861 /nfs/dbraw/zinc/64/78/61/539647861.db2.gz RUJDYWBDYIHEDP-VXGBXAGGSA-N 1 0 311.389 2.167 10 0 DEAERO C[C@H]1CCC[C@H](CCNS(=O)(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000070549759 190905908 /nfs/dbraw/zinc/90/59/08/190905908.db2.gz DCWIYYQGAJEHIL-RRFJBIMHSA-N 1 0 302.484 2.122 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(CC2CC2)c1 ZINC000181997607 539654482 /nfs/dbraw/zinc/65/44/82/539654482.db2.gz DVLYAOJLKQDSAA-JKSUJKDBSA-N 1 0 317.437 2.384 10 0 DEAERO C[C@H]([NH3+])c1ccc(-n2cc(I)cn2)cc1 ZINC000070677921 190910941 /nfs/dbraw/zinc/91/09/41/190910941.db2.gz ULRGQEHUKYMHSJ-QMMMGPOBSA-N 1 0 313.142 2.497 10 0 DEAERO CNC(=O)[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)C(C)C ZINC000183679731 539664457 /nfs/dbraw/zinc/66/44/57/539664457.db2.gz SCRAZBJVXFUSCE-CQSZACIVSA-N 1 0 311.813 2.029 10 0 DEAERO C[C@H]([NH3+])Cc1cc(Cl)cc(Cl)c1O[C@H]1CCN(C)C1=O ZINC000071184817 190938272 /nfs/dbraw/zinc/93/82/72/190938272.db2.gz BTOLDPRIXUKEER-UFBFGSQYSA-N 1 0 317.216 2.493 10 0 DEAERO CCc1nn(C)cc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190295528 539694432 /nfs/dbraw/zinc/69/44/32/539694432.db2.gz UDGMTBGKHZKHFM-GJZGRUSLSA-N 1 0 305.447 2.252 10 0 DEAERO Cc1cccc(N(C)S(=O)(=O)c2ccc(F)c(C[NH3+])c2)c1 ZINC000071244336 190948644 /nfs/dbraw/zinc/94/86/44/190948644.db2.gz VLFWNURNETWEKM-UHFFFAOYSA-N 1 0 308.378 2.418 10 0 DEAERO Cc1c(C(=O)Nc2ccc(N3CCOCC3)nc2C)ccn1C ZINC000192544268 539707910 /nfs/dbraw/zinc/70/79/10/539707910.db2.gz YNTZMBAAQKFPOS-UHFFFAOYSA-N 1 0 314.389 2.126 10 0 DEAERO CCCN(CC(=O)NCc1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000071331261 190959154 /nfs/dbraw/zinc/95/91/54/190959154.db2.gz QXXWOLQVIAIEPN-AWEZNQCLSA-N 1 0 309.841 2.030 10 0 DEAERO C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC([NH+](C)C)CC1 ZINC000193815243 539715150 /nfs/dbraw/zinc/71/51/50/539715150.db2.gz VNYBLORZUIMANK-ZDUSSCGKSA-N 1 0 323.868 2.371 10 0 DEAERO Cc1ccc(NC(=O)[C@@H](C)N2CCC([NH+](C)C)CC2)cc1F ZINC000193822381 539715517 /nfs/dbraw/zinc/71/55/17/539715517.db2.gz ZEXVGAQOQBSBAP-CYBMUJFWSA-N 1 0 307.413 2.487 10 0 DEAERO COc1cccc2c1CCC[C@H]2[NH2+]C[C@H](C)N1CCOCC1 ZINC000194840444 539719645 /nfs/dbraw/zinc/71/96/45/539719645.db2.gz XUGHOBLFNQJFQW-WMLDXEAASA-N 1 0 304.434 2.383 10 0 DEAERO CC(C)(C)CS(=O)(=O)N(CCC[NH3+])c1ccccc1F ZINC000083805410 192384192 /nfs/dbraw/zinc/38/41/92/192384192.db2.gz WITBGTCQOXFPOM-UHFFFAOYSA-N 1 0 302.415 2.357 10 0 DEAERO COC[C@](C)([NH3+])Cc1ccc(I)cc1 ZINC000083850476 192386385 /nfs/dbraw/zinc/38/63/85/192386385.db2.gz MNJCNCKOSKPPQT-LLVKDONJSA-N 1 0 305.159 2.198 10 0 DEAERO CCC[NH2+][C@H](C)c1cccc(S[C@H](C)C(=O)NC(N)=O)c1 ZINC000084126621 192404110 /nfs/dbraw/zinc/40/41/10/192404110.db2.gz WNTMEOVPRIDAMC-GHMZBOCLSA-N 1 0 309.435 2.423 10 0 DEAERO CCCNc1nc(Cl)nc(N[C@H](C)C[NH+](CC)CC)n1 ZINC000133454651 185986314 /nfs/dbraw/zinc/98/63/14/185986314.db2.gz XBGUAVLBFQMQPI-SNVBAGLBSA-N 1 0 300.838 2.489 10 0 DEAERO CC(=O)N1CC(C)(C)Oc2ccc(C(=O)[C@@H]3CCC[NH2+]C3)cc21 ZINC000071664582 191001555 /nfs/dbraw/zinc/00/15/55/191001555.db2.gz ATANPQCWCZZXPC-CQSZACIVSA-N 1 0 316.401 2.393 10 0 DEAERO Cn1ccnc1CN1Cc2c(cccc2C(F)(F)F)[C@@H]1C[NH3+] ZINC000071684181 191008794 /nfs/dbraw/zinc/00/87/94/191008794.db2.gz WSLVQNMESSRFHG-ZDUSSCGKSA-N 1 0 310.323 2.455 10 0 DEAERO CC(=O)Nc1ccc(N[C@H](C)C[C@H]2COCC[NH2+]2)cc1Cl ZINC000133611483 185999997 /nfs/dbraw/zinc/99/99/97/185999997.db2.gz RHCSJOXHFOQNKZ-MFKMUULPSA-N 1 0 311.813 2.477 10 0 DEAERO CCCCN(CC)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138323170 186015753 /nfs/dbraw/zinc/01/57/53/186015753.db2.gz NWMCYXDPSRDWMS-UHFFFAOYSA-N 1 0 320.405 2.495 10 0 DEAERO CC[C@@H](C)N(CC)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138463873 186017018 /nfs/dbraw/zinc/01/70/18/186017018.db2.gz PPBUCCGLKZVRTL-SECBINFHSA-N 1 0 306.378 2.233 10 0 DEAERO CN(CC1CCCC1)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139069973 186020465 /nfs/dbraw/zinc/02/04/65/186020465.db2.gz DMOAYSIRVWEMLU-UHFFFAOYSA-N 1 0 318.389 2.234 10 0 DEAERO CCC(C)(C)N(C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000139092948 186020536 /nfs/dbraw/zinc/02/05/36/186020536.db2.gz YSHMCSADCAXOIE-UHFFFAOYSA-N 1 0 320.405 2.493 10 0 DEAERO CC(C)[C@@H]1N[C@H](c2cccs2)N(C[C@@H]2CC[N@H+](C)C2)C1=O ZINC000142172699 186031675 /nfs/dbraw/zinc/03/16/75/186031675.db2.gz SBEJSNHXTIWLKV-SNPRPXQTSA-N 1 0 307.463 2.155 10 0 DEAERO Cc1ccc(C(=O)c2c(Cl)cnn2CC[NH+](C)C)c(C)n1 ZINC000140861391 186028517 /nfs/dbraw/zinc/02/85/17/186028517.db2.gz KEMQVCUCLRAGAB-UHFFFAOYSA-N 1 0 306.797 2.341 10 0 DEAERO CC(C)[C@@H]1N[C@@H](c2ccsc2)N(C2CC[NH+](C)CC2)C1=O ZINC000141241486 186029363 /nfs/dbraw/zinc/02/93/63/186029363.db2.gz JBSTYQJZXGEZHH-LSDHHAIUSA-N 1 0 307.463 2.297 10 0 DEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)NN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000148541317 186045025 /nfs/dbraw/zinc/04/50/25/186045025.db2.gz LFTTXNIYRYOSFI-FRRDWIJNSA-N 1 0 311.451 2.163 10 0 DEAERO CC[C@@H](C(N)=S)[NH+]1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000147661221 186040907 /nfs/dbraw/zinc/04/09/07/186040907.db2.gz RIJPUVPDLRNASS-AWEZNQCLSA-N 1 0 313.417 2.147 10 0 DEAERO COC(=O)[C@H](C)[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000262263090 282673945 /nfs/dbraw/zinc/67/39/45/282673945.db2.gz GWUIQNORDOQPIA-OJLVUWQFSA-N 1 0 318.417 2.171 10 0 DEAERO CCCNc1ncc(Br)c(OCC[NH+](C)C)n1 ZINC000147919733 186042483 /nfs/dbraw/zinc/04/24/83/186042483.db2.gz FLETZYULVKNDHU-UHFFFAOYSA-N 1 0 303.204 2.001 10 0 DEAERO C[C@@H]1OCC[C@]12C[NH+]=C(N)N2c1ccccc1Br ZINC000148448944 186044490 /nfs/dbraw/zinc/04/44/90/186044490.db2.gz DMYNKFLXRPXLEP-ZANVPECISA-N 1 0 310.195 2.131 10 0 DEAERO Cc1ccc([C@H]2NC3(CC3)C(=O)N2[C@H]2CCC[N@@H+](C)C2)s1 ZINC000142817763 186032545 /nfs/dbraw/zinc/03/25/45/186032545.db2.gz WCWHNGYVKHYUHW-JSGCOSHPSA-N 1 0 305.447 2.114 10 0 DEAERO CCC[NH2+][C@@H](Cc1cccs1)C[C@@H]1CCS(=O)(=O)C1 ZINC000142442450 186032702 /nfs/dbraw/zinc/03/27/02/186032702.db2.gz HVKAZVFDMIBWPO-QWHCGFSZSA-N 1 0 301.477 2.484 10 0 DEAERO Cc1ccc([C@H]2NC3(CC3)C(=O)N2[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000142817335 186032951 /nfs/dbraw/zinc/03/29/51/186032951.db2.gz WCWHNGYVKHYUHW-OCCSQVGLSA-N 1 0 305.447 2.114 10 0 DEAERO C[N@@H+]1CCC[C@@H](CN2C(=O)C3(CC3)N[C@H]2c2ccsc2)C1 ZINC000144214067 186035184 /nfs/dbraw/zinc/03/51/84/186035184.db2.gz KUFSYTNKQLNYQU-TZMCWYRMSA-N 1 0 305.447 2.053 10 0 DEAERO CC(C)[NH2+]Cc1sccc1S(=O)(=O)N(C)C1CCC1 ZINC000144666153 186035640 /nfs/dbraw/zinc/03/56/40/186035640.db2.gz DJUJVQIZAHJTRS-UHFFFAOYSA-N 1 0 302.465 2.419 10 0 DEAERO Cc1ccc([C@@H]2N[C@@H](C)C(=O)N2[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000144650893 186035668 /nfs/dbraw/zinc/03/56/68/186035668.db2.gz CJVLHACZABDDTP-NJZAAPMLSA-N 1 0 305.447 2.112 10 0 DEAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)C[C@H](C)c2ccccc2)CC1 ZINC000149258903 186048584 /nfs/dbraw/zinc/04/85/84/186048584.db2.gz KVCPCKVSMFMHKC-UONOGXRCSA-N 1 0 310.463 2.179 10 0 DEAERO CCc1nn(CC)c(C[NH2+][C@@H]2CCO[C@@H]2C)c1Br ZINC000149659723 186052073 /nfs/dbraw/zinc/05/20/73/186052073.db2.gz ASSIPMXSJXJEEO-MWLCHTKSSA-N 1 0 316.243 2.495 10 0 DEAERO C[C@H](C[NH3+])CC(=O)Nc1cc(Br)ccc1N(C)C ZINC000149823816 186053120 /nfs/dbraw/zinc/05/31/20/186053120.db2.gz QTGBJDAXOKQZBY-VIFPVBQESA-N 1 0 314.227 2.439 10 0 DEAERO Cc1cc(S(=O)(=O)NCCCC(F)(F)F)sc1C[NH3+] ZINC000149978070 186053756 /nfs/dbraw/zinc/05/37/56/186053756.db2.gz QPHNOSYQZUQSGC-UHFFFAOYSA-N 1 0 316.370 2.136 10 0 DEAERO CCC[C@](O)(C[NH3+])Cc1cc(OC)ccc1Br ZINC000150003101 186054013 /nfs/dbraw/zinc/05/40/13/186054013.db2.gz GRZKGVFUUKNIHD-CYBMUJFWSA-N 1 0 302.212 2.490 10 0 DEAERO [NH3+][C@@H](Cc1nc(-c2ccccc2)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000150001811 186054231 /nfs/dbraw/zinc/05/42/31/186054231.db2.gz SSVZVNYXZSRYLS-STQMWFEESA-N 1 0 322.455 2.115 10 0 DEAERO CCC[NH2+]C[C@@H](C)S(=O)(=O)NCCCCC(F)(F)F ZINC000149992334 186054267 /nfs/dbraw/zinc/05/42/67/186054267.db2.gz DBDHNGDSNPTETQ-SNVBAGLBSA-N 1 0 304.378 2.027 10 0 DEAERO CS(=O)(=O)CCOc1cccc(Cl)c1C[NH2+]C1CC1 ZINC000148715954 186045335 /nfs/dbraw/zinc/04/53/35/186045335.db2.gz NOYZSGWJNQJTBJ-UHFFFAOYSA-N 1 0 303.811 2.015 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250993909 539783130 /nfs/dbraw/zinc/78/31/30/539783130.db2.gz QMUCJAPSSBBBPY-HUUCEWRRSA-N 1 0 308.447 2.148 10 0 DEAERO [NH3+][C@H](Cc1csc([C@H]2CCS(=O)(=O)C2)n1)c1ccccc1 ZINC000150260814 186056135 /nfs/dbraw/zinc/05/61/35/186056135.db2.gz WPBIBYVLRYNNCF-GXTWGEPZSA-N 1 0 322.455 2.288 10 0 DEAERO CC(C)([NH3+])CN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000261770325 539787589 /nfs/dbraw/zinc/78/75/89/539787589.db2.gz DPXIAQCUBSDNNA-UHFFFAOYSA-N 1 0 311.857 2.074 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC(Cc2cccnc2)CC1 ZINC000333840227 282979642 /nfs/dbraw/zinc/97/96/42/282979642.db2.gz ODDZDEPNZWKNHM-KRWDZBQOSA-N 1 0 316.449 2.188 10 0 DEAERO COCC[C@H]([NH3+])C(=O)Nc1cc(C)ccc1Br ZINC000163985785 186144810 /nfs/dbraw/zinc/14/48/10/186144810.db2.gz QUPCCXAPNSOBNI-JTQLQIEISA-N 1 0 301.184 2.060 10 0 DEAERO CCc1ccc(NC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC)cc1F ZINC000164134240 186149797 /nfs/dbraw/zinc/14/97/97/186149797.db2.gz AVOKDSIDYBAIPG-GFCCVEGCSA-N 1 0 323.412 2.173 10 0 DEAERO C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[S@@](=O)c1ccccc1 ZINC000155903994 186121862 /nfs/dbraw/zinc/12/18/62/186121862.db2.gz KNKMKPUOZSJDQE-GTJPDFRWSA-N 1 0 302.399 2.280 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1C[NH3+])[S@](=O)c1ccccc1 ZINC000155908079 186122414 /nfs/dbraw/zinc/12/24/14/186122414.db2.gz QCAWBIDARBZNTF-LAJNKCICSA-N 1 0 302.399 2.280 10 0 DEAERO C[C@@H]([NH3+])Cc1cn(CCS(C)(=O)=O)c2cc(Cl)ccc12 ZINC000164142357 186149912 /nfs/dbraw/zinc/14/99/12/186149912.db2.gz YTXAULODHRUIGD-SNVBAGLBSA-N 1 0 314.838 2.229 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1cc(Br)ccc1F ZINC000159616894 186130789 /nfs/dbraw/zinc/13/07/89/186130789.db2.gz DVCYFWAQCRUWQT-JTQLQIEISA-N 1 0 319.174 2.281 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])[C@H]2CCSC2)c1Br ZINC000163850335 186140607 /nfs/dbraw/zinc/14/06/07/186140607.db2.gz ALVFIAJFCVDCSD-IUCAKERBSA-N 1 0 304.257 2.114 10 0 DEAERO CCNc1cc(NCC(C)(C)S(C)(=O)=O)nc(C(C)C)[nH+]1 ZINC000163898633 186141758 /nfs/dbraw/zinc/14/17/58/186141758.db2.gz QUCQPZUQKZQCIL-UHFFFAOYSA-N 1 0 314.455 2.267 10 0 DEAERO C[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1cccc(Br)c1 ZINC000163930836 186142740 /nfs/dbraw/zinc/14/27/40/186142740.db2.gz XZDXOOZNSYIZLC-VHSXEESVSA-N 1 0 311.223 2.482 10 0 DEAERO CCc1nnc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000171504114 186170089 /nfs/dbraw/zinc/17/00/89/186170089.db2.gz RTRGCSKQFYZKJN-LLVKDONJSA-N 1 0 309.439 2.193 10 0 DEAERO Cn1ncc(Br)c1C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000164224168 186152509 /nfs/dbraw/zinc/15/25/09/186152509.db2.gz LSVZSHHMTVLHPA-JTQLQIEISA-N 1 0 308.179 2.108 10 0 DEAERO COCCN1C(=[NH2+])NC[C@H]1c1ccc(C)cc1Br ZINC000164364371 186157618 /nfs/dbraw/zinc/15/76/18/186157618.db2.gz HUYNXLDNXIKCFG-LBPRGKRZSA-N 1 0 312.211 2.075 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000164396439 186158826 /nfs/dbraw/zinc/15/88/26/186158826.db2.gz HFPOBXXZKQAHLG-JTQLQIEISA-N 1 0 300.200 2.380 10 0 DEAERO COc1ccc(Br)cc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164456538 186159402 /nfs/dbraw/zinc/15/94/02/186159402.db2.gz FXTMWOPBYCZQTR-QMMMGPOBSA-N 1 0 313.195 2.252 10 0 DEAERO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000177845378 186192208 /nfs/dbraw/zinc/19/22/08/186192208.db2.gz HLIVTRUTFNTKHM-VIFPVBQESA-N 1 0 317.202 2.402 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@H](O)COc2ccc(F)cc2)C1 ZINC000187999595 186241641 /nfs/dbraw/zinc/24/16/41/186241641.db2.gz CMODWWKKBWROGU-UKPHBRMFSA-N 1 0 311.397 2.048 10 0 DEAERO CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 ZINC000181929755 186220414 /nfs/dbraw/zinc/22/04/14/186220414.db2.gz HBTXPEMZEJOLBE-UONOGXRCSA-N 1 0 305.422 2.016 10 0 DEAERO C[C@@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186071415 186238280 /nfs/dbraw/zinc/23/82/80/186238280.db2.gz QEGVHLSWKNTTDW-YGRLFVJLSA-N 1 0 322.206 2.299 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000187986137 186239980 /nfs/dbraw/zinc/23/99/80/186239980.db2.gz RITRSWGOAJJBJM-SJKOYZFVSA-N 1 0 323.412 2.219 10 0 DEAERO C[C@H]1OCCC[C@@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000191838785 186261936 /nfs/dbraw/zinc/26/19/36/186261936.db2.gz VFKPBQWQYRRGFU-DOMZBBRYSA-N 1 0 308.397 2.319 10 0 DEAERO C[N@H+](Cc1ccc(Br)s1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037572 366016855 /nfs/dbraw/zinc/01/68/55/366016855.db2.gz VCKURCIYWOZTNL-OCAPTIKFSA-N 1 0 303.225 2.206 10 0 DEAERO O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CCCOC1 ZINC000171602621 197951029 /nfs/dbraw/zinc/95/10/29/197951029.db2.gz YUVSGVYDSUVLBE-INIZCTEOSA-N 1 0 309.454 2.119 10 0 DEAERO COC(=O)CNC(=O)CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000171912669 198006785 /nfs/dbraw/zinc/00/67/85/198006785.db2.gz JKEANIWHARZXCJ-CYBMUJFWSA-N 1 0 306.406 2.140 10 0 DEAERO COc1ccc(NC(=O)CCN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000172081663 198036302 /nfs/dbraw/zinc/03/63/02/198036302.db2.gz XQJGSKHESBZLQN-GDBMZVCRSA-N 1 0 317.433 2.192 10 0 DEAERO COc1ccc(NC(=O)CCN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000172081668 198036537 /nfs/dbraw/zinc/03/65/37/198036537.db2.gz XQJGSKHESBZLQN-GOEBONIOSA-N 1 0 317.433 2.192 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1cccs1 ZINC000172603387 198122750 /nfs/dbraw/zinc/12/27/50/198122750.db2.gz DNHDHKWEEJCXIE-SNVBAGLBSA-N 1 0 323.443 2.486 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)CC[N@@H+]1C ZINC000172620621 198126929 /nfs/dbraw/zinc/12/69/29/198126929.db2.gz MJJDQNWHASYQOS-YOEHRIQHSA-N 1 0 312.417 2.427 10 0 DEAERO c1[nH]nc(-c2ccccc2)c1CNc1ncnc2c1CC[NH2+]CC2 ZINC000072419156 191156986 /nfs/dbraw/zinc/15/69/86/191156986.db2.gz GGKVOFFMJPXCMU-UHFFFAOYSA-N 1 0 320.400 2.167 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@@H]12 ZINC000333880798 282985662 /nfs/dbraw/zinc/98/56/62/282985662.db2.gz DKPXYOTYWSRMIY-NUEKZKHPSA-N 1 0 321.428 2.201 10 0 DEAERO C[C@@H](O)C1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172801881 198151425 /nfs/dbraw/zinc/15/14/25/198151425.db2.gz ANXRNLOPMTWBSW-CJNGLKHVSA-N 1 0 304.390 2.105 10 0 DEAERO O=C(Nc1nc(C(F)(F)F)cs1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333114968 539948539 /nfs/dbraw/zinc/94/85/39/539948539.db2.gz HCUITVIIRKSMAL-SFYZADRCSA-N 1 0 320.340 2.235 10 0 DEAERO C[C@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)[C@@H]1CCCO1 ZINC000332907448 539943618 /nfs/dbraw/zinc/94/36/18/539943618.db2.gz XNFWWWRUXRDCAJ-JQFCIGGWSA-N 1 0 302.418 2.337 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2nc3c(s2)COCC3)CC[N@@H+]1C ZINC000173241772 198199319 /nfs/dbraw/zinc/19/93/19/198199319.db2.gz AIFWJLKJJIQWKO-GHMZBOCLSA-N 1 0 324.450 2.162 10 0 DEAERO O=C(Nc1ccccc1-n1cccn1)N1CCC2(CC[NH2+]2)CC1 ZINC000333222491 539952362 /nfs/dbraw/zinc/95/23/62/539952362.db2.gz AHDIKSUNPYTENR-UHFFFAOYSA-N 1 0 311.389 2.232 10 0 DEAERO O=C(Nc1ccc([C@@H]2CCOC2)cc1)N[C@H]1CCCC[NH2+]C1 ZINC000333258823 539953590 /nfs/dbraw/zinc/95/35/90/539953590.db2.gz DQOHYVXIAWCRBD-ZBFHGGJFSA-N 1 0 303.406 2.454 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccccc2Cl)CC[N@@H+]1C ZINC000173275718 198205306 /nfs/dbraw/zinc/20/53/06/198205306.db2.gz NBORUHCYBRAEKI-VXGBXAGGSA-N 1 0 316.854 2.443 10 0 DEAERO C[C@@H](NC(=O)N1CCC2(CC[NH2+]2)CC1)c1nc2ccccc2[nH]1 ZINC000333290534 539954756 /nfs/dbraw/zinc/95/47/56/539954756.db2.gz OOMJXDYAKBNQJI-GFCCVEGCSA-N 1 0 313.405 2.161 10 0 DEAERO C[C@H](NC(=O)N1CCC2(CC[NH2+]2)CC1)c1nc2ccccc2[nH]1 ZINC000333290538 539954799 /nfs/dbraw/zinc/95/47/99/539954799.db2.gz OOMJXDYAKBNQJI-LBPRGKRZSA-N 1 0 313.405 2.161 10 0 DEAERO O=C(Nc1nc(C(F)(F)F)cs1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333141404 539949217 /nfs/dbraw/zinc/94/92/17/539949217.db2.gz KYJXOUMFBSSFMD-HTQZYQBOSA-N 1 0 320.340 2.235 10 0 DEAERO CC(C)(C)c1nnc2ccc(N3CCC[C@@]4(CC[NH2+]C4)C3)nn21 ZINC000333143568 539949333 /nfs/dbraw/zinc/94/93/33/539949333.db2.gz CRSYCRBGMFNHNO-KRWDZBQOSA-N 1 0 314.437 2.002 10 0 DEAERO O=C(NCCCOc1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173570676 198228942 /nfs/dbraw/zinc/22/89/42/198228942.db2.gz DCYABIYENGXLMS-MRXNPFEDSA-N 1 0 315.417 2.111 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000333594304 539964468 /nfs/dbraw/zinc/96/44/68/539964468.db2.gz BHRHOMTUOKAOEC-GAQJKIJGSA-N 1 0 311.788 2.466 10 0 DEAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC[C@@H]2C)cc1 ZINC000333642285 539966828 /nfs/dbraw/zinc/96/68/28/539966828.db2.gz IKWHHUNWXGLHLQ-JQFCIGGWSA-N 1 0 317.433 2.335 10 0 DEAERO COCC[NH2+]C[C@@](C)(O)Cc1cc(Br)cs1 ZINC000085079574 192479811 /nfs/dbraw/zinc/47/98/11/192479811.db2.gz ACDYOBZQZUPOMD-NSHDSACASA-N 1 0 308.241 2.040 10 0 DEAERO Cc1ccc(CCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(C)c1 ZINC000174309383 198318306 /nfs/dbraw/zinc/31/83/06/198318306.db2.gz LUXCHKRVYHYGKT-DLBZAZTESA-N 1 0 318.461 2.150 10 0 DEAERO CC[C@H]1CN(C(=O)c2ccc(C)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174626851 198362054 /nfs/dbraw/zinc/36/20/54/198362054.db2.gz PKLGTZFJLJICGW-CVEARBPZSA-N 1 0 304.434 2.221 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cnn(CC(F)F)c2)CC[N@@H+]1C ZINC000174852968 198392926 /nfs/dbraw/zinc/39/29/26/198392926.db2.gz PRPYEKHBUHNYQT-ZYHUDNBSSA-N 1 0 315.368 2.095 10 0 DEAERO CCCCNC(=O)C[C@@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000041536460 354175225 /nfs/dbraw/zinc/17/52/25/354175225.db2.gz AWXYJLLVZZVKAK-AWEZNQCLSA-N 1 0 306.406 2.197 10 0 DEAERO [NH3+]C[C@]1(N2CCN(c3ccccc3Cl)CC2)CCSC1 ZINC000034940054 354161886 /nfs/dbraw/zinc/16/18/86/354161886.db2.gz ZSUSIVDAQJEAPV-OAHLLOKOSA-N 1 0 311.882 2.296 10 0 DEAERO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000236797678 202012763 /nfs/dbraw/zinc/01/27/63/202012763.db2.gz VILUDOFHIYAAQR-KGLIPLIRSA-N 1 0 318.417 2.195 10 0 DEAERO Cc1ccc(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000068316364 354808118 /nfs/dbraw/zinc/80/81/18/354808118.db2.gz KDLVLBUEYSYALW-UHFFFAOYSA-N 1 0 324.428 2.072 10 0 DEAERO COc1cccc(F)c1[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000074267404 355018801 /nfs/dbraw/zinc/01/88/01/355018801.db2.gz SYNDMDMBEQEKMD-NEPJUHHUSA-N 1 0 321.396 2.431 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCS[C@@H](C(C)C)C1 ZINC000073653732 191336487 /nfs/dbraw/zinc/33/64/87/191336487.db2.gz UKKFIGMRJJVDST-UONOGXRCSA-N 1 0 301.500 2.500 10 0 DEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000073717268 191346662 /nfs/dbraw/zinc/34/66/62/191346662.db2.gz ZFOPWBXJVVWICS-QWHCGFSZSA-N 1 0 306.406 2.365 10 0 DEAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000073716779 191346704 /nfs/dbraw/zinc/34/67/04/191346704.db2.gz KHLBEYLOXCXGLC-WDEREUQCSA-N 1 0 300.349 2.157 10 0 DEAERO Clc1nc2nc(N3CCCC3)sc2c(N[C@@H]2CC[NH2+]C2)n1 ZINC000073736066 191349984 /nfs/dbraw/zinc/34/99/84/191349984.db2.gz PZPZYQOPQFVQCV-MRVPVSSYSA-N 1 0 324.841 2.114 10 0 DEAERO CCc1cc2c(ncnc2N2CC[NH+]([C@H](CC)CO)CC2)s1 ZINC000078524654 355266374 /nfs/dbraw/zinc/26/63/74/355266374.db2.gz JUPKBSFKTJAIHM-GFCCVEGCSA-N 1 0 320.462 2.147 10 0 DEAERO CCN(C[C@H]1CCCO1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074791662 191362165 /nfs/dbraw/zinc/36/21/65/191362165.db2.gz FEBZBBHBUIGPKM-WTXIUTQJSA-N 1 0 309.454 2.212 10 0 DEAERO Cc1ccc(-c2[nH]c(=O)sc2CN2CC[NH2+]CC2)cc1C ZINC000075211391 191441966 /nfs/dbraw/zinc/44/19/66/191441966.db2.gz OYKLXOVJHHGYBS-UHFFFAOYSA-N 1 0 303.431 2.125 10 0 DEAERO O=c1[nH]c(-c2ccc(F)cc2)c(CN2CCC[NH2+]CC2)s1 ZINC000075230576 191447082 /nfs/dbraw/zinc/44/70/82/191447082.db2.gz MJPGJCWDUXIELN-UHFFFAOYSA-N 1 0 307.394 2.038 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CCC(C)(C)O2)C1 ZINC000249391675 283095994 /nfs/dbraw/zinc/09/59/94/283095994.db2.gz ADDSDCOKWQPHDD-QLFBSQMISA-N 1 0 309.454 2.070 10 0 DEAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)CC1([NH3+])CC1 ZINC000398150253 540140526 /nfs/dbraw/zinc/14/05/26/540140526.db2.gz RSHLKYWBRNBLIL-SNVBAGLBSA-N 1 0 311.223 2.378 10 0 DEAERO Cc1nccn1-c1cncc(N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000091453541 355596214 /nfs/dbraw/zinc/59/62/14/355596214.db2.gz VUKPTDHNJDMNFR-HNNXBMFYSA-N 1 0 312.421 2.035 10 0 DEAERO CN(C)c1ccnc(N2CCC[C@H]([NH+]3CCCCCC3)C2)n1 ZINC000091482543 355599147 /nfs/dbraw/zinc/59/91/47/355599147.db2.gz JMWLJOHSMNCVFM-HNNXBMFYSA-N 1 0 303.454 2.387 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(F)c1 ZINC000367413306 283113744 /nfs/dbraw/zinc/11/37/44/283113744.db2.gz RAKYPJGBMHBKRW-BZNIZROVSA-N 1 0 324.371 2.395 10 0 DEAERO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000077772768 191773406 /nfs/dbraw/zinc/77/34/06/191773406.db2.gz ZKOZGNOFKIWBPF-HUUCEWRRSA-N 1 0 321.465 2.345 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@](C)(O)CCC(C)C ZINC000077807970 191778735 /nfs/dbraw/zinc/77/87/35/191778735.db2.gz DOUAJUFVGYPWDS-GOEBONIOSA-N 1 0 301.475 2.203 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)C[C@](C)(O)C2CC2)[C@H]1c1ccccc1 ZINC000270399065 283121433 /nfs/dbraw/zinc/12/14/33/283121433.db2.gz CFFKAODSTQHPEO-JQHSSLGASA-N 1 0 302.418 2.099 10 0 DEAERO COCCCC[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000117880297 355779056 /nfs/dbraw/zinc/77/90/56/355779056.db2.gz IFCRCYCYXSPQRI-UHFFFAOYSA-N 1 0 308.470 2.182 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000119901896 355788970 /nfs/dbraw/zinc/78/89/70/355788970.db2.gz XMIPPZKDFXZOOI-OAGGEKHMSA-N 1 0 323.481 2.221 10 0 DEAERO C[C@H](NC(=O)CCc1ccnn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000131711224 355848633 /nfs/dbraw/zinc/84/86/33/355848633.db2.gz RWCQYVHITCUTQP-LSDHHAIUSA-N 1 0 318.465 2.122 10 0 DEAERO COc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2C)cc1OC ZINC000139681828 355878667 /nfs/dbraw/zinc/87/86/67/355878667.db2.gz JIVQUUWISMBGOD-GXTWGEPZSA-N 1 0 321.421 2.158 10 0 DEAERO C[NH+](C)C(C)(C)CNC(=O)c1ccc(N)c(Br)c1 ZINC000078891130 191939033 /nfs/dbraw/zinc/93/90/33/191939033.db2.gz GNKAOTMUUMVQHT-UHFFFAOYSA-N 1 0 314.227 2.101 10 0 DEAERO Cc1ccc2oc(SCC(=O)NCCC[NH+](C)C)nc2c1 ZINC000179870032 356036478 /nfs/dbraw/zinc/03/64/78/356036478.db2.gz VRRHCIJDSFMIPW-UHFFFAOYSA-N 1 0 307.419 2.296 10 0 DEAERO C[C@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177265998 198696792 /nfs/dbraw/zinc/69/67/92/198696792.db2.gz FJLCDVUTWXTGNM-WMZOPIPTSA-N 1 0 304.434 2.108 10 0 DEAERO NC(=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000182016153 356105305 /nfs/dbraw/zinc/10/53/05/356105305.db2.gz TWEOXFKRJUQYMW-HNNXBMFYSA-N 1 0 321.396 2.178 10 0 DEAERO C[C@H](C[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)Cc1ccccc1 ZINC000182073551 356107708 /nfs/dbraw/zinc/10/77/08/356107708.db2.gz WSLDKIDYLKZCEZ-USXIJHARSA-N 1 0 304.434 2.091 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@H](C(N)=[NH2+])C2CCCCC2)cc1 ZINC000079786978 191972958 /nfs/dbraw/zinc/97/29/58/191972958.db2.gz AZSACERTYOIPTQ-CQSZACIVSA-N 1 0 309.435 2.158 10 0 DEAERO CC[C@](C)(NS(=O)(=O)c1ccccc1C(F)(F)F)C(N)=[NH2+] ZINC000079799331 191974085 /nfs/dbraw/zinc/97/40/85/191974085.db2.gz LQACGVHOXGIPJE-NSHDSACASA-N 1 0 323.340 2.088 10 0 DEAERO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000183065654 356158964 /nfs/dbraw/zinc/15/89/64/356158964.db2.gz SEVSHTATHKXHHV-GJZGRUSLSA-N 1 0 317.401 2.453 10 0 DEAERO CC(C)C[NH2+]C[C@H]1CCCN(S(=O)(=O)CC(C)(C)C)C1 ZINC000080194010 192010754 /nfs/dbraw/zinc/01/07/54/192010754.db2.gz PESWTYFFMYVADG-CQSZACIVSA-N 1 0 304.500 2.320 10 0 DEAERO COc1cc(C[NH2+][C@@H](C)[C@H](C)CO)cc(Br)c1O ZINC000080204307 192012316 /nfs/dbraw/zinc/01/23/16/192012316.db2.gz MYNPJDWAZXTQGH-BDAKNGLRSA-N 1 0 318.211 2.270 10 0 DEAERO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000183484024 356174105 /nfs/dbraw/zinc/17/41/05/356174105.db2.gz FCWJUTLTWAXZEQ-MRXNPFEDSA-N 1 0 324.490 2.422 10 0 DEAERO O=C1C[C@H]([NH2+][C@@H]2CCCSC2)CN1CCOc1ccccc1 ZINC000183612433 356177501 /nfs/dbraw/zinc/17/75/01/356177501.db2.gz QAHPKIUNCHQSND-CABCVRRESA-N 1 0 320.458 2.152 10 0 DEAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCCn2ccnc2)CC1 ZINC000182743171 356143799 /nfs/dbraw/zinc/14/37/99/356143799.db2.gz KTGVXXMDDHZEDC-OAHLLOKOSA-N 1 0 306.454 2.146 10 0 DEAERO CCN(CC)C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000192937906 356221771 /nfs/dbraw/zinc/22/17/71/356221771.db2.gz HMSOKGBQEOTEEU-MRXNPFEDSA-N 1 0 304.438 2.297 10 0 DEAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000195118271 356249884 /nfs/dbraw/zinc/24/98/84/356249884.db2.gz NWNNRUZPYIBNQL-ZDUSSCGKSA-N 1 0 305.447 2.174 10 0 DEAERO C[C@H]([NH3+])c1csc(N2CCN(Cc3ccccc3)CC2)n1 ZINC000080807822 192192645 /nfs/dbraw/zinc/19/26/45/192192645.db2.gz SNFFHNLWFSNUJJ-ZDUSSCGKSA-N 1 0 302.447 2.485 10 0 DEAERO [NH3+][C@@H]1CCCO[C@H]1c1ccc(I)cc1 ZINC000218131919 356273637 /nfs/dbraw/zinc/27/36/37/356273637.db2.gz MBUMLEVSISVLPF-MNOVXSKESA-N 1 0 303.143 2.470 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000085356583 192493499 /nfs/dbraw/zinc/49/34/99/192493499.db2.gz QJESRXOEJRXOSO-HUUCEWRRSA-N 1 0 307.825 2.116 10 0 DEAERO [NH3+]Cc1cc(I)nc(OC(F)(F)F)c1 ZINC000238665884 356305149 /nfs/dbraw/zinc/30/51/49/356305149.db2.gz MSSBIKQNBYAWJI-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000252755206 356335249 /nfs/dbraw/zinc/33/52/49/356335249.db2.gz JAGDTDOSGCUUBW-DCAQKATOSA-N 1 0 322.232 2.482 10 0 DEAERO C[NH2+]Cc1cc(Br)cnc1N1CC[C@H](COC)C1 ZINC000081117386 192228900 /nfs/dbraw/zinc/22/89/00/192228900.db2.gz WLLDXNNGPDFRAK-JTQLQIEISA-N 1 0 314.227 2.036 10 0 DEAERO COC[C@@H]1CC[N@H+](CCCOc2cccc(C(N)=S)c2)C1 ZINC000081065202 192222555 /nfs/dbraw/zinc/22/25/55/192222555.db2.gz ZXTQOLRGUQWBCP-CYBMUJFWSA-N 1 0 308.447 2.058 10 0 DEAERO C[C@H]1CN(c2nc(N)ns2)CC[N@H+](Cc2ccccc2)C1 ZINC000306503906 356404055 /nfs/dbraw/zinc/40/40/55/356404055.db2.gz XPWONGXFLSGNLY-GFCCVEGCSA-N 1 0 303.435 2.079 10 0 DEAERO [NH3+]Cc1cnc(-c2ncc(I)s2)s1 ZINC000306398418 356404117 /nfs/dbraw/zinc/40/41/17/356404117.db2.gz JKCBTUKLNISUSF-UHFFFAOYSA-N 1 0 323.184 2.330 10 0 DEAERO COCC[C@@H](C)[NH2+][C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 ZINC000328605065 356459891 /nfs/dbraw/zinc/45/98/91/356459891.db2.gz MEHGOBWVVFROLL-HZSPNIEDSA-N 1 0 310.442 2.004 10 0 DEAERO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000328625896 356462544 /nfs/dbraw/zinc/46/25/44/356462544.db2.gz DQVFYYHFVKEDNJ-KBPBESRZSA-N 1 0 316.405 2.355 10 0 DEAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000328625901 356462592 /nfs/dbraw/zinc/46/25/92/356462592.db2.gz DQVFYYHFVKEDNJ-ZIAGYGMSSA-N 1 0 316.405 2.355 10 0 DEAERO O[C@@H](CNc1cc(N[C@H]2CCCOC2)ncn1)c1ccccc1 ZINC000328626263 356463029 /nfs/dbraw/zinc/46/30/29/356463029.db2.gz DYRYPNIUZYUMMT-GJZGRUSLSA-N 1 0 314.389 2.213 10 0 DEAERO O=C(NC1CC1)c1noc([C@@H]2CCC[N@@H+]2C[C@@H]2CC=CCC2)n1 ZINC000328623213 356463273 /nfs/dbraw/zinc/46/32/73/356463273.db2.gz BSSTXILGNBFAIW-OCCSQVGLSA-N 1 0 316.405 2.455 10 0 DEAERO C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CCc2nccn2C1 ZINC000328650290 356466947 /nfs/dbraw/zinc/46/69/47/356466947.db2.gz VNTJOEHWLFWHQB-XJKSGUPXSA-N 1 0 303.381 2.250 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCn2cnnc2C1 ZINC000081530810 192285185 /nfs/dbraw/zinc/28/51/85/192285185.db2.gz YVLMILFUUKEJQC-HIFRSBDPSA-N 1 0 305.813 2.226 10 0 DEAERO CC(C)[N@@H+]1CC[C@H](CNc2nnc(Br)s2)C1 ZINC000081664502 192309443 /nfs/dbraw/zinc/30/94/43/192309443.db2.gz GNZJOJOYZIVZRM-MRVPVSSYSA-N 1 0 305.245 2.443 10 0 DEAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)CC1C[NH2+]C1 ZINC000081747936 192320744 /nfs/dbraw/zinc/32/07/44/192320744.db2.gz UTIMATGKZDEBDA-JTQLQIEISA-N 1 0 311.223 2.106 10 0 DEAERO CN(c1ccnc2cc(Br)cnc21)C1CC([NH3+])C1 ZINC000385070698 356687236 /nfs/dbraw/zinc/68/72/36/356687236.db2.gz VRCHMKKZJKDGTR-UHFFFAOYSA-N 1 0 307.195 2.318 10 0 DEAERO COc1ccc(Br)cc1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000384960830 356685497 /nfs/dbraw/zinc/68/54/97/356685497.db2.gz IHGMMVOQUSTWKV-KWQFWETISA-N 1 0 313.195 2.019 10 0 DEAERO Brc1csc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404186536 356732635 /nfs/dbraw/zinc/73/26/35/356732635.db2.gz FAMIMYLZSCWIFY-NEPJUHHUSA-N 1 0 317.252 2.073 10 0 DEAERO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2cn(CC3CC3)nn2)C1 ZINC000428189792 356737403 /nfs/dbraw/zinc/73/74/03/356737403.db2.gz SMWXOKGNMKVLSL-ZSGPHXLJSA-N 1 0 318.465 2.450 10 0 DEAERO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2cn(CC3CC3)nn2)C1 ZINC000428189787 356737435 /nfs/dbraw/zinc/73/74/35/356737435.db2.gz SMWXOKGNMKVLSL-PILAGYSTSA-N 1 0 318.465 2.450 10 0 DEAERO C[C@@H]([NH2+]CC(C)(C)O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000087010931 192610848 /nfs/dbraw/zinc/61/08/48/192610848.db2.gz CSWOUEHJEALCBG-OLZOCXBDSA-N 1 0 300.443 2.383 10 0 DEAERO CC(C)(O)C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000087027385 192612589 /nfs/dbraw/zinc/61/25/89/192612589.db2.gz DUDGTLGTWAVKTH-SNVBAGLBSA-N 1 0 308.205 2.094 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cc(-c2cnn(C)c2)ccc1F ZINC000581033181 357119661 /nfs/dbraw/zinc/11/96/61/357119661.db2.gz WMOMCXDHMINTHC-UHFFFAOYSA-N 1 0 318.396 2.250 10 0 DEAERO CC[NH2+]CCc1ccc(S(=O)(=O)NCC(C)(C)C)s1 ZINC000088985363 192681302 /nfs/dbraw/zinc/68/13/02/192681302.db2.gz PLTNMQZWRSWRMK-UHFFFAOYSA-N 1 0 304.481 2.225 10 0 DEAERO CCC(=O)N[C@@H](C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590716971 357590836 /nfs/dbraw/zinc/59/08/36/357590836.db2.gz OQBYRWPBZKZRBJ-JKSUJKDBSA-N 1 0 323.481 2.016 10 0 DEAERO CCC(=O)N[C@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590716968 357591230 /nfs/dbraw/zinc/59/12/30/357591230.db2.gz OQBYRWPBZKZRBJ-CVEARBPZSA-N 1 0 323.481 2.016 10 0 DEAERO C[N@@H+]1CC[C@@H](C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC000591439452 357722713 /nfs/dbraw/zinc/72/27/13/357722713.db2.gz NZHKXZSPUFOWGC-GFCCVEGCSA-N 1 0 324.371 2.286 10 0 DEAERO CC(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1 ZINC000636089394 540279371 /nfs/dbraw/zinc/27/93/71/540279371.db2.gz RTBFWUKSNLGXEM-HZPDHXFCSA-N 1 0 302.418 2.277 10 0 DEAERO COc1ccc(-c2n[nH]cc2CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000179550525 199053069 /nfs/dbraw/zinc/05/30/69/199053069.db2.gz HERBHXGEVDYFDK-MRXNPFEDSA-N 1 0 312.417 2.365 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CC[N@@H+]1C ZINC000247159571 291125176 /nfs/dbraw/zinc/12/51/76/291125176.db2.gz AJTHJEZXIQBCKZ-SRXPKIRMSA-N 1 0 306.450 2.323 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc2nnn(C)c2c1 ZINC000184925232 199782668 /nfs/dbraw/zinc/78/26/68/199782668.db2.gz ROTZGHJXMWVVHR-ZDUSSCGKSA-N 1 0 317.437 2.209 10 0 DEAERO Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000180163166 199125146 /nfs/dbraw/zinc/12/51/46/199125146.db2.gz ZHKJDMDVVHJCCR-PKOBYXMFSA-N 1 0 309.413 2.494 10 0 DEAERO Cc1ccc(-c2noc(NC[C@@H](O)C[NH+]3CCCCC3)n2)cc1 ZINC000180224923 199133595 /nfs/dbraw/zinc/13/35/95/199133595.db2.gz TZCRWNVOGVRHKR-OAHLLOKOSA-N 1 0 316.405 2.304 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC(C)C)C(C)C)nc1 ZINC000089005323 192692698 /nfs/dbraw/zinc/69/26/98/192692698.db2.gz LXTBJDPRXNOZRZ-UHFFFAOYSA-N 1 0 313.467 2.246 10 0 DEAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H](C)c2cnn(C)c2)C1 ZINC000180341394 199148058 /nfs/dbraw/zinc/14/80/58/199148058.db2.gz YANUQJPPGINKML-LSDHHAIUSA-N 1 0 321.469 2.243 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)NCc2ccc(Cl)cn2)CC1 ZINC000180394502 199153738 /nfs/dbraw/zinc/15/37/38/199153738.db2.gz DXLYKBPUNHZYHV-UHFFFAOYSA-N 1 0 310.829 2.407 10 0 DEAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180501006 199168395 /nfs/dbraw/zinc/16/83/95/199168395.db2.gz GUDSZHJXTBYUDY-WCQYABFASA-N 1 0 302.426 2.109 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(F)cc1OC(F)F ZINC000180501215 199168476 /nfs/dbraw/zinc/16/84/76/199168476.db2.gz FVTVQPFVUWBQQF-JQWIXIFHSA-N 1 0 318.339 2.408 10 0 DEAERO COc1ccc(C[C@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OC ZINC000180703748 199199226 /nfs/dbraw/zinc/19/92/26/199199226.db2.gz JTTGQGZAPDCNMF-DZGCQCFKSA-N 1 0 320.433 2.045 10 0 DEAERO CSC1(C[NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000597237790 358865061 /nfs/dbraw/zinc/86/50/61/358865061.db2.gz IJUNXGNRSDOWCB-KRWDZBQOSA-N 1 0 319.518 2.288 10 0 DEAERO CCn1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C)cc1C[NH2+]C ZINC000089023170 192704044 /nfs/dbraw/zinc/70/40/44/192704044.db2.gz RTARONXXBOHYGL-STQMWFEESA-N 1 0 313.467 2.037 10 0 DEAERO C[NH2+]CCCCS(=O)(=O)N(C)[C@@H](C)c1ccccc1F ZINC000089027877 192709106 /nfs/dbraw/zinc/70/91/06/192709106.db2.gz JMKLDZPAQRSCQA-LBPRGKRZSA-N 1 0 302.415 2.148 10 0 DEAERO C[C@@H]([NH3+])Cc1cc2c(cc1OCCOC(F)(F)F)OCO2 ZINC000089056162 192721408 /nfs/dbraw/zinc/72/14/08/192721408.db2.gz CABDBHCNAJYNKY-MRVPVSSYSA-N 1 0 307.268 2.220 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@]1([NH3+])CCCOCC1 ZINC000089292525 192761482 /nfs/dbraw/zinc/76/14/82/192761482.db2.gz RPXBSLBZJUHEFQ-ZDUSSCGKSA-N 1 0 316.243 2.414 10 0 DEAERO CCn1nc(C)c(Cl)c1C[C@]1(C[NH2+]CCOC)CCOC1 ZINC000089301451 192762293 /nfs/dbraw/zinc/76/22/93/192762293.db2.gz LLSDPAUHZMFQQG-HNNXBMFYSA-N 1 0 315.845 2.050 10 0 DEAERO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H](c2ccccc2)O1 ZINC000599324633 359462942 /nfs/dbraw/zinc/46/29/42/359462942.db2.gz RZOHNSCXCIAWMT-OIISXLGYSA-N 1 0 302.418 2.459 10 0 DEAERO C[N@H+](C[C@@H](O)c1ccccc1Br)CC1(CO)CC1 ZINC000186772693 200008183 /nfs/dbraw/zinc/00/81/83/200008183.db2.gz SLDAFLSDTUAGKJ-CYBMUJFWSA-N 1 0 314.223 2.187 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000187041465 200051303 /nfs/dbraw/zinc/05/13/03/200051303.db2.gz PZFHNCQVQMUXEX-CRAIPNDOSA-N 1 0 321.465 2.314 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1c[nH]nc1C1CC1 ZINC000187307125 200091747 /nfs/dbraw/zinc/09/17/47/200091747.db2.gz RFVYJMAPHLYWEE-OAHLLOKOSA-N 1 0 312.417 2.190 10 0 DEAERO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000187395569 200106904 /nfs/dbraw/zinc/10/69/04/200106904.db2.gz BKFAXNIFYCXCNB-DLBZAZTESA-N 1 0 324.490 2.125 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000187829853 200163499 /nfs/dbraw/zinc/16/34/99/200163499.db2.gz XQHOZHPIUPLWDU-GXTWGEPZSA-N 1 0 305.353 2.015 10 0 DEAERO C[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccccc1Cl ZINC000188237867 200214625 /nfs/dbraw/zinc/21/46/25/200214625.db2.gz BDUMWMQJCIPFMP-VIFPVBQESA-N 1 0 304.781 2.200 10 0 DEAERO CO[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccncc2)CC[C@@H]1C ZINC000188313516 200225774 /nfs/dbraw/zinc/22/57/74/200225774.db2.gz JULMTBPRWBIKRV-BBRMVZONSA-N 1 0 300.406 2.339 10 0 DEAERO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)cc1 ZINC000188332000 200229223 /nfs/dbraw/zinc/22/92/23/200229223.db2.gz YWDCRUAWZDHZHQ-ZQIUZPCESA-N 1 0 321.417 2.484 10 0 DEAERO C[C@@H]1CC[C@H](Nc2ccc(I)cn2)C[NH2+]1 ZINC000600864181 359844608 /nfs/dbraw/zinc/84/46/08/359844608.db2.gz XYSBUEZSDNQVCZ-SCZZXKLOSA-N 1 0 317.174 2.239 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1C ZINC000188495775 200256629 /nfs/dbraw/zinc/25/66/29/200256629.db2.gz DODHYHKVUOBSCZ-SWLSCSKDSA-N 1 0 315.417 2.262 10 0 DEAERO C[C@@H](CC[NH2+]Cc1ccncc1Br)[S@@](C)=O ZINC000601111607 359925723 /nfs/dbraw/zinc/92/57/23/359925723.db2.gz UJYDWEAXIFIDMV-XXFAHNHDSA-N 1 0 305.241 2.091 10 0 DEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000189043380 200340576 /nfs/dbraw/zinc/34/05/76/200340576.db2.gz JFXGLIXFPSBPLG-GASCZTMLSA-N 1 0 302.418 2.071 10 0 DEAERO CC(C)c1n[nH]cc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000189215873 200365710 /nfs/dbraw/zinc/36/57/10/200365710.db2.gz FNEUZDWKLFDTPD-UHFFFAOYSA-N 1 0 300.406 2.395 10 0 DEAERO O[C@@H](COCc1ccccc1)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189228473 200367632 /nfs/dbraw/zinc/36/76/32/200367632.db2.gz BRFBJUIXLHUYAF-MOPGFXCFSA-N 1 0 319.445 2.455 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)c1ncoc1-c1ccccc1 ZINC000601550962 360070047 /nfs/dbraw/zinc/07/00/47/360070047.db2.gz CENRBQGUQQHBSW-UHFFFAOYSA-N 1 0 308.341 2.000 10 0 DEAERO C[C@@H](NC(=O)C(=O)c1ccc2c(c1)CCC2)C1CC[NH+](C)CC1 ZINC000603333942 360795760 /nfs/dbraw/zinc/79/57/60/360795760.db2.gz FDPJRUFQWQFBEG-CYBMUJFWSA-N 1 0 314.429 2.205 10 0 DEAERO CCc1n[nH]cc1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000604365223 360900763 /nfs/dbraw/zinc/90/07/63/360900763.db2.gz OSWAAFNAAHVBMS-UHFFFAOYSA-N 1 0 304.438 2.309 10 0 DEAERO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(-c2cccnc2)on1 ZINC000605372490 360963065 /nfs/dbraw/zinc/96/30/65/360963065.db2.gz WUWPTMDJODLSNJ-CQSZACIVSA-N 1 0 314.389 2.341 10 0 DEAERO CC1CC[NH+](CCNC(=O)Nc2ccc3nccn3c2)CC1 ZINC000606581277 361023352 /nfs/dbraw/zinc/02/33/52/361023352.db2.gz XMETTYGZFPZNTO-UHFFFAOYSA-N 1 0 301.394 2.188 10 0 DEAERO Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)CC[C@H](C)[NH3+] ZINC000193226431 201009756 /nfs/dbraw/zinc/00/97/56/201009756.db2.gz GCWOMJCBWANUDC-ZDUSSCGKSA-N 1 0 305.422 2.447 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCCNc1ccc(C)cn1 ZINC000193444655 201051063 /nfs/dbraw/zinc/05/10/63/201051063.db2.gz QSIRHGXARYWXRP-OAHLLOKOSA-N 1 0 321.469 2.222 10 0 DEAERO COC(=O)c1ccc(NC[C@@H](C)C[NH+]2CCCC2)nc1OC ZINC000193343320 201036156 /nfs/dbraw/zinc/03/61/56/201036156.db2.gz ULQADPXHDGKMLW-GFCCVEGCSA-N 1 0 307.394 2.021 10 0 DEAERO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)s1 ZINC000193474582 201058177 /nfs/dbraw/zinc/05/81/77/201058177.db2.gz XIOYMQNGCNSUMF-INIZCTEOSA-N 1 0 321.446 2.220 10 0 DEAERO c1nc(C2CC2)oc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000628162521 366745315 /nfs/dbraw/zinc/74/53/15/366745315.db2.gz TZMDRIKLWOTVKJ-OAHLLOKOSA-N 1 0 305.422 2.239 10 0 DEAERO Cc1ncc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000628242576 366781429 /nfs/dbraw/zinc/78/14/29/366781429.db2.gz KKJWQOLYRHKJDH-GOSISDBHSA-N 1 0 315.417 2.052 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2nc3cccnc3s2)CC[N@@H+]1C ZINC000193958842 201152386 /nfs/dbraw/zinc/15/23/86/201152386.db2.gz WQSNDJRXJXVPHF-WDEREUQCSA-N 1 0 304.419 2.246 10 0 DEAERO COC[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000194040977 201168319 /nfs/dbraw/zinc/16/83/19/201168319.db2.gz HYBYYOVPZFZAOA-CQSZACIVSA-N 1 0 311.813 2.160 10 0 DEAERO COC(=O)C(C)(C)[C@H]([NH2+]Cc1cncn1C)c1ccccc1 ZINC000611406729 361593163 /nfs/dbraw/zinc/59/31/63/361593163.db2.gz VSPMIPNYYQUAAI-OAHLLOKOSA-N 1 0 301.390 2.450 10 0 DEAERO COC(=O)C(C)(C)[C@H]([NH2+]CC(=O)NCC1CC1)c1ccccc1 ZINC000611405093 361593620 /nfs/dbraw/zinc/59/36/20/361593620.db2.gz HGECPBRALZZGID-MRXNPFEDSA-N 1 0 318.417 2.043 10 0 DEAERO COC(=O)C(C)(C)[C@H]([NH2+]CC(=O)N(C)C1CC1)c1ccccc1 ZINC000611406655 361593880 /nfs/dbraw/zinc/59/38/80/361593880.db2.gz TXUDDSWQMRFYJR-MRXNPFEDSA-N 1 0 318.417 2.137 10 0 DEAERO COC(=O)[C@H](C1CC1)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000611668759 361654800 /nfs/dbraw/zinc/65/48/00/361654800.db2.gz QQOQFPALOBGAGW-IRXDYDNUSA-N 1 0 302.418 2.144 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000611668757 361654886 /nfs/dbraw/zinc/65/48/86/361654886.db2.gz QQOQFPALOBGAGW-IAGOWNOFSA-N 1 0 302.418 2.144 10 0 DEAERO O=C1[C@@H]([NH2+]C[C@@H]2CCC=CO2)CCN1Cc1ccc(F)cc1 ZINC000194885862 201305274 /nfs/dbraw/zinc/30/52/74/201305274.db2.gz LYDMSNLWVFWHFY-HOTGVXAUSA-N 1 0 304.365 2.209 10 0 DEAERO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000448366773 239321733 /nfs/dbraw/zinc/32/17/33/239321733.db2.gz OAEWJJUWRANSEX-RHSMWYFYSA-N 1 0 300.406 2.393 10 0 DEAERO COCCNC(=O)CSc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000090872709 192940161 /nfs/dbraw/zinc/94/01/61/192940161.db2.gz PEDXOXVXUUDBSJ-UHFFFAOYSA-N 1 0 310.463 2.429 10 0 DEAERO CCN(C[C@@H]1Cc2cc(Br)ccc2O1)C1C[NH2+]C1 ZINC000090900333 192943058 /nfs/dbraw/zinc/94/30/58/192943058.db2.gz BAWGOSXHQXAHFU-ZDUSSCGKSA-N 1 0 311.223 2.046 10 0 DEAERO c1cc(C[NH2+][C@@H]2CCn3ccnc3C2)n(CCc2ccccc2)n1 ZINC000621345281 364361471 /nfs/dbraw/zinc/36/14/71/364361471.db2.gz HWSNGPZLVCVVJI-QGZVFWFLSA-N 1 0 321.428 2.427 10 0 DEAERO CC1(C)CC[C@H](CO)[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000621376915 364380523 /nfs/dbraw/zinc/38/05/23/364380523.db2.gz MIIGTYKIRODFNO-SJORKVTESA-N 1 0 307.434 2.047 10 0 DEAERO CC1(C)CC[C@@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000449151512 240124862 /nfs/dbraw/zinc/12/48/62/240124862.db2.gz XVYQLHQRPAERGF-MRXNPFEDSA-N 1 0 307.482 2.099 10 0 DEAERO c1c(C[N@@H+]2CCOCC3(CCOCC3)C2)oc2ncccc12 ZINC000449240473 240239730 /nfs/dbraw/zinc/23/97/30/240239730.db2.gz NOONLOAHKWXWDT-UHFFFAOYSA-N 1 0 302.374 2.457 10 0 DEAERO CO[C@@H]1CC[C@H]([NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449275460 240291607 /nfs/dbraw/zinc/29/16/07/240291607.db2.gz MPADVBWJVDGJHW-AEGPPILISA-N 1 0 311.447 2.351 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(Cl)c2)CC12COC2 ZINC000449358018 240396161 /nfs/dbraw/zinc/39/61/61/240396161.db2.gz FGVMNIFQLNSLKB-CQSZACIVSA-N 1 0 309.793 2.352 10 0 DEAERO c1nnc2ccc(N3CC[C@H]([NH2+]C4CCC5(CC5)CC4)C3)nn12 ZINC000623651352 365117456 /nfs/dbraw/zinc/11/74/56/365117456.db2.gz JVQCVBSQKPJZTR-AWEZNQCLSA-N 1 0 312.421 2.015 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(Br)nc1 ZINC000091448525 193057496 /nfs/dbraw/zinc/05/74/96/193057496.db2.gz GWSUWMKCBTXXJD-LLVKDONJSA-N 1 0 312.211 2.010 10 0 DEAERO CCC[NH2+]C[C@H](O)Cc1cc(OC)ccc1Br ZINC000091466240 193059431 /nfs/dbraw/zinc/05/94/31/193059431.db2.gz MFOGKMVCIDKHLT-LLVKDONJSA-N 1 0 302.212 2.361 10 0 DEAERO CCCNC(=O)C[C@@H](C[NH3+])Nc1ccc(Br)cc1 ZINC000091317793 193038815 /nfs/dbraw/zinc/03/88/15/193038815.db2.gz KQBGVQDQHBZHSI-LBPRGKRZSA-N 1 0 314.227 2.105 10 0 DEAERO CCCNC(=O)C[C@H](C[NH3+])Nc1cccc(Br)c1 ZINC000091317811 193038914 /nfs/dbraw/zinc/03/89/14/193038914.db2.gz QJFZRXJDYBTGMI-GFCCVEGCSA-N 1 0 314.227 2.105 10 0 DEAERO CC(C)(C)NC(=O)C[C@@H](C[NH3+])N(Cc1ccsc1)C1CC1 ZINC000091321227 193040113 /nfs/dbraw/zinc/04/01/13/193040113.db2.gz ABVAKGAEBBMOIY-AWEZNQCLSA-N 1 0 309.479 2.345 10 0 DEAERO [NH3+]CC1CC(OCC(=O)Nc2ccccc2Br)C1 ZINC000091461450 193059261 /nfs/dbraw/zinc/05/92/61/193059261.db2.gz WRLLLOUWLWLJBA-UHFFFAOYSA-N 1 0 313.195 2.142 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)C2(C(N)=S)CCCCCC2)C1 ZINC000091395329 193051201 /nfs/dbraw/zinc/05/12/01/193051201.db2.gz FPMXCHFCMSORPN-CYBMUJFWSA-N 1 0 311.495 2.166 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)Cc1ccc(Br)cc1 ZINC000091520250 193068043 /nfs/dbraw/zinc/06/80/43/193068043.db2.gz GYBRDMWPLKROHZ-CQSZACIVSA-N 1 0 316.239 2.369 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH2+]C)[C@](C)(CC)N(C)C)c1Cl ZINC000091570423 193074591 /nfs/dbraw/zinc/07/45/91/193074591.db2.gz GUDJLHQACPVWIX-HIFRSBDPSA-N 1 0 300.878 2.497 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)[C@@](C)(CC)N(CC)CC ZINC000091600809 193078342 /nfs/dbraw/zinc/07/83/42/193078342.db2.gz NFPNJAFULQAKOT-HUUCEWRRSA-N 1 0 306.516 2.300 10 0 DEAERO C[NH2+]CC1CC(Oc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000091470970 193060229 /nfs/dbraw/zinc/06/02/29/193060229.db2.gz GGXVBSJYUZRENZ-UHFFFAOYSA-N 1 0 305.346 2.060 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(Br)cc1 ZINC000624171922 365317069 /nfs/dbraw/zinc/31/70/69/365317069.db2.gz FBONMXGHGXIUTL-BXUZGUMPSA-N 1 0 313.239 2.430 10 0 DEAERO CSC1(C(N)=S)CC[NH+](CCC[C@@H]2CCCO2)CC1 ZINC000091488437 193063308 /nfs/dbraw/zinc/06/33/08/193063308.db2.gz GQMMRAUWMOEGAN-GFCCVEGCSA-N 1 0 302.509 2.429 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1sccc1Br ZINC000091667234 193087732 /nfs/dbraw/zinc/08/77/32/193087732.db2.gz DYOJYDGKORISOB-UWVGGRQHSA-N 1 0 319.268 2.492 10 0 DEAERO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000091686729 193091351 /nfs/dbraw/zinc/09/13/51/193091351.db2.gz RWRMPAJBKVIIDT-CQSZACIVSA-N 1 0 313.405 2.272 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000091717759 193096881 /nfs/dbraw/zinc/09/68/81/193096881.db2.gz NIZGCCCSJYSPOF-KGLIPLIRSA-N 1 0 303.233 2.455 10 0 DEAERO CCN(CC)C1([C@H](CCCS(C)(=O)=O)[NH2+]C)CCCC1 ZINC000091639598 193082234 /nfs/dbraw/zinc/08/22/34/193082234.db2.gz XLBXIULSDWMEBL-AWEZNQCLSA-N 1 0 304.500 2.054 10 0 DEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)C1(N2CCCCC2)CCCC1 ZINC000091642193 193082644 /nfs/dbraw/zinc/08/26/44/193082644.db2.gz SBPSAOJNFGYUJF-HNNXBMFYSA-N 1 0 316.511 2.198 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000624392368 365407689 /nfs/dbraw/zinc/40/76/89/365407689.db2.gz PRDFKFZJDDVHGT-VHSXEESVSA-N 1 0 323.245 2.412 10 0 DEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(F)ccc1C ZINC000091850603 193118136 /nfs/dbraw/zinc/11/81/36/193118136.db2.gz GYBXYJDAZZPMBW-UHFFFAOYSA-N 1 0 314.426 2.415 10 0 DEAERO C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000624407102 365413166 /nfs/dbraw/zinc/41/31/66/365413166.db2.gz SZMTYYZWCSFHJP-BDAKNGLRSA-N 1 0 323.245 2.412 10 0 DEAERO C[C@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)cc(Cl)c2)C[NH2+]1 ZINC000624406896 365413216 /nfs/dbraw/zinc/41/32/16/365413216.db2.gz OKDIPRYUFUMFBV-GZMMTYOYSA-N 1 0 323.245 2.412 10 0 DEAERO COc1cc(F)cc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000091928391 193128296 /nfs/dbraw/zinc/12/82/96/193128296.db2.gz FVKFDBPSLPHCHZ-DOMZBBRYSA-N 1 0 323.412 2.458 10 0 DEAERO CN1CCO[C@H](COc2c(Cl)cc(Cl)cc2C[NH3+])C1 ZINC000092054305 193149240 /nfs/dbraw/zinc/14/92/40/193149240.db2.gz GYOCJCTZGRQMKR-NSHDSACASA-N 1 0 305.205 2.162 10 0 DEAERO C=C/C(C)=C\CC(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000628640563 366911576 /nfs/dbraw/zinc/91/15/76/366911576.db2.gz GHJIXTGLPMRNAD-NSIKDUERSA-N 1 0 315.417 2.439 10 0 DEAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000629587065 367265839 /nfs/dbraw/zinc/26/58/39/367265839.db2.gz XITNOEGUMKAJLY-WBVHZDCISA-N 1 0 321.417 2.035 10 0 DEAERO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)CC2(O)CCOCC2)c1 ZINC000630036700 367447757 /nfs/dbraw/zinc/44/77/57/367447757.db2.gz OEYLOLNBDPDKTH-ROUUACIJSA-N 1 0 319.445 2.424 10 0 DEAERO CCC(=O)CCC[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000450782960 242214311 /nfs/dbraw/zinc/21/43/11/242214311.db2.gz ZTKXIMPQEMIIND-LJQANCHMSA-N 1 0 318.461 2.315 10 0 DEAERO CO[C@H]1CN(C(=O)c2ccc(F)cc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630365380 367613232 /nfs/dbraw/zinc/61/32/32/367613232.db2.gz VTVBBEWATUGOJC-QMTHXVAHSA-N 1 0 300.761 2.057 10 0 DEAERO CC[NH2+]Cc1cccc(CS(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092113846 193161138 /nfs/dbraw/zinc/16/11/38/193161138.db2.gz KMBURMIHYAYIID-KBPBESRZSA-N 1 0 310.463 2.214 10 0 DEAERO CC[NH2+]CCc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)s1 ZINC000092113648 193161609 /nfs/dbraw/zinc/16/16/09/193161609.db2.gz MOFIWYFAQUSAIS-VXGBXAGGSA-N 1 0 316.492 2.177 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c(C)s1 ZINC000092113749 193161710 /nfs/dbraw/zinc/16/17/10/193161710.db2.gz MHSTZVIYQVEZGK-PHIMTYICSA-N 1 0 316.492 2.443 10 0 DEAERO CC[NH2+]Cc1sccc1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113803 193161897 /nfs/dbraw/zinc/16/18/97/193161897.db2.gz IKQHRAUSIIHKPF-GHMZBOCLSA-N 1 0 302.465 2.134 10 0 DEAERO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)C[NH2+]C)CCC2 ZINC000092136112 193166959 /nfs/dbraw/zinc/16/69/59/193166959.db2.gz WAPKKONDXNEGGH-SECBINFHSA-N 1 0 310.419 2.208 10 0 DEAERO CCC[C@](C)(CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248067120 284002222 /nfs/dbraw/zinc/00/22/22/284002222.db2.gz PWCVGEKHXHEHHK-SOLBZPMBSA-N 1 0 319.449 2.282 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631124847 368030795 /nfs/dbraw/zinc/03/07/95/368030795.db2.gz SXYQPGAAIVGXOG-MRXNPFEDSA-N 1 0 304.438 2.031 10 0 DEAERO c1cc(N2CC([NH2+]Cc3ccc(OCC4CC4)cc3)C2)ncn1 ZINC000631256270 368105755 /nfs/dbraw/zinc/10/57/55/368105755.db2.gz DALNTGITSUKLKV-UHFFFAOYSA-N 1 0 310.401 2.244 10 0 DEAERO Cn1cc(CN[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000631205172 368077469 /nfs/dbraw/zinc/07/74/69/368077469.db2.gz LCEBIELQSCHXTP-KRWDZBQOSA-N 1 0 313.449 2.350 10 0 DEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccccc2OCC(F)(F)F)C1 ZINC000092202873 193173218 /nfs/dbraw/zinc/17/32/18/193173218.db2.gz NZWCQWGHCPSCOG-UWVGGRQHSA-N 1 0 300.280 2.470 10 0 DEAERO CN(Cc1csc(Br)c1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092206985 193173349 /nfs/dbraw/zinc/17/33/49/193173349.db2.gz YWHUMJQSIXIPEE-VHSXEESVSA-N 1 0 315.236 2.372 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)s1 ZINC000631959813 368467222 /nfs/dbraw/zinc/46/72/22/368467222.db2.gz BVJYMPSGVZZCOM-NSHDSACASA-N 1 0 302.465 2.203 10 0 DEAERO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000631979187 368478869 /nfs/dbraw/zinc/47/88/69/368478869.db2.gz OULKSNYUWZPGMW-LBPRGKRZSA-N 1 0 316.854 2.397 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631994385 368485248 /nfs/dbraw/zinc/48/52/48/368485248.db2.gz KWCUAXFYGXMNHO-AAEUAGOBSA-N 1 0 314.476 2.073 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c(C)s1 ZINC000631995576 368485271 /nfs/dbraw/zinc/48/52/71/368485271.db2.gz IUQQHGXIBRRFCM-QWHCGFSZSA-N 1 0 314.476 2.128 10 0 DEAERO CC[N@H+](CCCOc1ccc(C(N)=S)cc1)CC(C)(C)O ZINC000092967283 193189740 /nfs/dbraw/zinc/18/97/40/193189740.db2.gz UIDYYYYGXIRCOA-UHFFFAOYSA-N 1 0 310.463 2.183 10 0 DEAERO CCN(CCOC)c1nc(C(C)C)c(C[NH2+]CCOC)s1 ZINC000093000027 193192095 /nfs/dbraw/zinc/19/20/95/193192095.db2.gz WRBDZHLHRUTDER-UHFFFAOYSA-N 1 0 315.483 2.475 10 0 DEAERO Cc1cc(Cl)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262034870 203178588 /nfs/dbraw/zinc/17/85/88/203178588.db2.gz XUPNOQGTEGABGO-KGLIPLIRSA-N 1 0 318.808 2.324 10 0 DEAERO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000262080483 203192823 /nfs/dbraw/zinc/19/28/23/203192823.db2.gz TVIMBNMCPOKYNS-MPESAESLSA-N 1 0 306.381 2.242 10 0 DEAERO C[NH2+]C[C@H](Cc1ncnn1C)c1ccccc1Br ZINC000093181254 193211849 /nfs/dbraw/zinc/21/18/49/193211849.db2.gz UZOCHHYFTZRLEN-JTQLQIEISA-N 1 0 309.211 2.123 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@]12CC[NH2+]C[C@@H]2c1ccccc1F ZINC000093184172 193212688 /nfs/dbraw/zinc/21/26/88/193212688.db2.gz MXIBVQYIAFELOD-FVQBIDKESA-N 1 0 311.422 2.486 10 0 DEAERO CCCNS(=O)(=O)c1ccc(O[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093219984 193218385 /nfs/dbraw/zinc/21/83/85/193218385.db2.gz LUIWWYRHTYWYCH-OCCSQVGLSA-N 1 0 312.435 2.024 10 0 DEAERO CCC(CC)[N@H+](CC(C)C)[C@@]1(CN)CCC[C@@H]1S(C)(=O)=O ZINC000093308581 193228258 /nfs/dbraw/zinc/22/82/58/193228258.db2.gz PBOMZEHJISJACL-JKSUJKDBSA-N 1 0 318.527 2.428 10 0 DEAERO Cc1cc2ncc([C@@H](C)[NH2+]CCCN3CCCC3=O)c(C)n2n1 ZINC000093370053 193240075 /nfs/dbraw/zinc/24/00/75/193240075.db2.gz ZQLWQCGKTLYQCQ-CYBMUJFWSA-N 1 0 315.421 2.009 10 0 DEAERO COc1ccc([C@@H]2CNC(=[NH2+])N2C[C@H]2CCCO2)cc1Cl ZINC000093377813 193240410 /nfs/dbraw/zinc/24/04/10/193240410.db2.gz LRXKKJQKZZJBEB-YPMHNXCESA-N 1 0 309.797 2.199 10 0 DEAERO COCCN1C(=[NH2+])NC[C@@]1(C)c1cccc(C(F)(F)F)c1 ZINC000093380562 193240473 /nfs/dbraw/zinc/24/04/73/193240473.db2.gz BMUYMAPURMUAPY-ZDUSSCGKSA-N 1 0 301.312 2.197 10 0 DEAERO C[C@H](C[C@H]1CCCC[NH2+]1)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000093485533 193258042 /nfs/dbraw/zinc/25/80/42/193258042.db2.gz VLHZVWHJLNRXQB-IUODEOHRSA-N 1 0 311.451 2.391 10 0 DEAERO NC1=[NH+]C[C@@H](C2CCOCC2)N1c1cccc(Br)c1 ZINC000093387593 193241782 /nfs/dbraw/zinc/24/17/82/193241782.db2.gz RMYGWJZLTMDXET-ZDUSSCGKSA-N 1 0 324.222 2.379 10 0 DEAERO COc1c(CN2CC[NH+](C3CCC(C)CC3)CC2)c(C)nn1C ZINC000093386984 193242351 /nfs/dbraw/zinc/24/23/51/193242351.db2.gz PORZLXSNXQTGAM-UHFFFAOYSA-N 1 0 320.481 2.433 10 0 DEAERO CC(C)CO[C@H]1C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)C1(C)C ZINC000093523113 193263238 /nfs/dbraw/zinc/26/32/38/193263238.db2.gz YBFZRASWHNNPRH-STQMWFEESA-N 1 0 305.484 2.239 10 0 DEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248814783 284167603 /nfs/dbraw/zinc/16/76/03/284167603.db2.gz DICTXHZGPUSUHB-YJNKXOJESA-N 1 0 321.417 2.278 10 0 DEAERO [NH3+][C@]1(C(=O)[O-])CCC[C@@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000093596151 193271025 /nfs/dbraw/zinc/27/10/25/193271025.db2.gz SPRWFZKVWVBDTA-ZWNOBZJWSA-N 1 0 308.344 2.233 10 0 DEAERO NC(=O)[C@]1([NH3+])CCC[C@@H]1CCSc1ccc(F)c(F)c1 ZINC000093627222 193276777 /nfs/dbraw/zinc/27/67/77/193276777.db2.gz OSKMJLQLSFGUIP-OTYXRUKQSA-N 1 0 300.374 2.430 10 0 DEAERO C[C@@H]1CCC[C@@H](CC[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093696978 193291635 /nfs/dbraw/zinc/29/16/35/193291635.db2.gz UGTSOYMMDIGNEP-PMPSAXMXSA-N 1 0 316.511 2.464 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000093696237 193291653 /nfs/dbraw/zinc/29/16/53/193291653.db2.gz QPNNCHGPEAXIRY-CYBMUJFWSA-N 1 0 316.854 2.101 10 0 DEAERO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093697051 193291667 /nfs/dbraw/zinc/29/16/67/193291667.db2.gz NYDBQIDJFMVKAD-QLFBSQMISA-N 1 0 302.484 2.216 10 0 DEAERO C[C@@]([NH3+])(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000093699162 193293608 /nfs/dbraw/zinc/29/36/08/193293608.db2.gz NNMUUDOOAFFYJH-SWLSCSKDSA-N 1 0 314.426 2.061 10 0 DEAERO CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccs1 ZINC000093699811 193294192 /nfs/dbraw/zinc/29/41/92/193294192.db2.gz POYUPKWBVBHUDM-OLZOCXBDSA-N 1 0 316.492 2.460 10 0 DEAERO Cc1ccc(F)cc1[C@@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700200 193294408 /nfs/dbraw/zinc/29/44/08/193294408.db2.gz PNLHCTZGRHKSDA-DOMZBBRYSA-N 1 0 314.426 2.196 10 0 DEAERO Cc1cccc([C@H](C[NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093701653 193294997 /nfs/dbraw/zinc/29/49/97/193294997.db2.gz QVOXZKBNYMIVHS-ZBFHGGJFSA-N 1 0 310.463 2.099 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(Cc2cccc(Cl)c2F)CC1 ZINC000093740352 193298220 /nfs/dbraw/zinc/29/82/20/193298220.db2.gz RVJHWHFTLJAQHR-CYBMUJFWSA-N 1 0 300.805 2.368 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000093770176 193303104 /nfs/dbraw/zinc/30/31/04/193303104.db2.gz FIYOVDVMBYKDAG-CQSZACIVSA-N 1 0 320.433 2.240 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000093784220 193307871 /nfs/dbraw/zinc/30/78/71/193307871.db2.gz BJWBQMCXPMCRFS-NEPJUHHUSA-N 1 0 302.216 2.101 10 0 DEAERO CC[NH2+][C@]1(CO)CCC[C@H](n2cc(Br)cn2)C1 ZINC000093784217 193307939 /nfs/dbraw/zinc/30/79/39/193307939.db2.gz BJWBQMCXPMCRFS-NWDGAFQWSA-N 1 0 302.216 2.101 10 0 DEAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000094024017 193339522 /nfs/dbraw/zinc/33/95/22/193339522.db2.gz KDKPEURIPLESGW-UHFFFAOYSA-N 1 0 310.463 2.395 10 0 DEAERO COc1cc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc2c1OCCO2 ZINC000093821905 193313678 /nfs/dbraw/zinc/31/36/78/193313678.db2.gz XZJVESCZIYBGJO-HNNXBMFYSA-N 1 0 309.406 2.305 10 0 DEAERO CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](N(CC(F)(F)F)C(C)C)C1 ZINC000093826239 193313866 /nfs/dbraw/zinc/31/38/66/193313866.db2.gz RVVDAKLZZZFQGD-AAEUAGOBSA-N 1 0 309.376 2.034 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CC[C@H](Oc2ccccc2C(F)(F)F)C1 ZINC000093836632 193314838 /nfs/dbraw/zinc/31/48/38/193314838.db2.gz ZRSPGFPJAXFYPG-ZANVPECISA-N 1 0 302.296 2.080 10 0 DEAERO COC(=O)[C@@]1([NH3+])CC[C@H](Sc2nc3cc(C)ccc3[nH]2)C1 ZINC000093852850 193319227 /nfs/dbraw/zinc/31/92/27/193319227.db2.gz ZLLKAPLWMJAMBR-ZUZCIYMTSA-N 1 0 305.403 2.386 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(C)sc1C ZINC000093878178 193322383 /nfs/dbraw/zinc/32/23/83/193322383.db2.gz UTPHHPMUXIXYQK-UHFFFAOYSA-N 1 0 304.481 2.360 10 0 DEAERO CN(CC(=O)N(C)Cc1cccc(Cl)c1)CC(C)(C)C[NH3+] ZINC000093874080 193322569 /nfs/dbraw/zinc/32/25/69/193322569.db2.gz CGMYODYOZCAVSS-UHFFFAOYSA-N 1 0 311.857 2.215 10 0 DEAERO CCN(CC(C)(C)C[NH3+])C(=O)c1cc(Br)cn1C ZINC000093877599 193322582 /nfs/dbraw/zinc/32/25/82/193322582.db2.gz TTWJIDRZLUAFND-UHFFFAOYSA-N 1 0 316.243 2.235 10 0 DEAERO CCN(CC(=O)NCc1ccc(Cl)cc1)CC(C)(C)C[NH3+] ZINC000093891072 193324088 /nfs/dbraw/zinc/32/40/88/193324088.db2.gz NMXSPNFQBQEMEZ-UHFFFAOYSA-N 1 0 311.857 2.263 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(Cl)s1)[C@@H]1CN(C)CCN1C ZINC000093895615 193325092 /nfs/dbraw/zinc/32/50/92/193325092.db2.gz XGDQPJFLRBZFIR-STQMWFEESA-N 1 0 301.887 2.168 10 0 DEAERO CC[NH2+][C@H](c1cc(Cl)ccc1OC)[C@H]1CN(C)CCN1C ZINC000093895482 193325186 /nfs/dbraw/zinc/32/51/86/193325186.db2.gz ASIVUUZFCUCPAB-GDBMZVCRSA-N 1 0 311.857 2.245 10 0 DEAERO CN(CC1CC[NH2+]CC1)C(=O)c1ccc(C(F)(F)F)nc1 ZINC000094022083 193339158 /nfs/dbraw/zinc/33/91/58/193339158.db2.gz SWZFHKORMOPLHZ-UHFFFAOYSA-N 1 0 301.312 2.172 10 0 DEAERO CCC[NH2+][C@H](Cc1csc(C)n1)[C@@H]1CN(CCC)CCO1 ZINC000093921238 193328682 /nfs/dbraw/zinc/32/86/82/193328682.db2.gz QWIMKUVXBSQAIT-CVEARBPZSA-N 1 0 311.495 2.473 10 0 DEAERO CC[NH2+][C@H](Cc1ccncc1Cl)[C@H]1CN(C(C)C)CCO1 ZINC000093927578 193329288 /nfs/dbraw/zinc/32/92/88/193329288.db2.gz RFDFYICFPMLXFY-HZPDHXFCSA-N 1 0 311.857 2.365 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CCS(C)(=O)=O ZINC000094297394 193356624 /nfs/dbraw/zinc/35/66/24/193356624.db2.gz VOILHYLVCXBHMJ-ZIAGYGMSSA-N 1 0 318.870 2.095 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CCS(C)(=O)=O ZINC000094297105 193357098 /nfs/dbraw/zinc/35/70/98/193357098.db2.gz YHXCGAPWAQZICU-KGLIPLIRSA-N 1 0 318.870 2.095 10 0 DEAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N(C)CCS(C)(=O)=O ZINC000094298441 193357501 /nfs/dbraw/zinc/35/75/01/193357501.db2.gz JNLDLPFKRCTZQE-ZBFHGGJFSA-N 1 0 312.479 2.011 10 0 DEAERO CC(C)[NH2+]C[C@@]1(CN(C)CCS(C)(=O)=O)CCC[C@@H](C)C1 ZINC000094300482 193358299 /nfs/dbraw/zinc/35/82/99/193358299.db2.gz HZUHZASJAMZVKU-HZPDHXFCSA-N 1 0 318.527 2.157 10 0 DEAERO CCC(C)(C)NC(=O)COc1c(F)cc(C[NH2+]C)cc1F ZINC000094346521 193363337 /nfs/dbraw/zinc/36/33/37/193363337.db2.gz NQYCADVBOQGSPV-UHFFFAOYSA-N 1 0 300.349 2.368 10 0 DEAERO C[C@H](COc1c(F)cc(C[NH2+]C(C)(C)C)cc1F)C(N)=O ZINC000094347788 193363576 /nfs/dbraw/zinc/36/35/76/193363576.db2.gz JMQOVXOGKOMMMZ-SECBINFHSA-N 1 0 300.349 2.353 10 0 DEAERO CCCNC(=O)[C@@H](C)Oc1c(F)cc(C[NH2+]CC)cc1F ZINC000094346785 193363692 /nfs/dbraw/zinc/36/36/92/193363692.db2.gz CCOMNAVSVWNZJQ-SNVBAGLBSA-N 1 0 300.349 2.368 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(F)c(OCCOCCOC)c(F)c1 ZINC000094350695 193364164 /nfs/dbraw/zinc/36/41/64/193364164.db2.gz QEZJMOBCQASCMQ-GFCCVEGCSA-N 1 0 303.349 2.286 10 0 DEAERO CCCS(=O)(=O)c1ccccc1N(C)CC1CC[NH2+]CC1 ZINC000094043179 193340824 /nfs/dbraw/zinc/34/08/24/193340824.db2.gz ASCHPFXFOWNGOR-UHFFFAOYSA-N 1 0 310.463 2.306 10 0 DEAERO CS(=O)(=O)c1ccc(N(CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000094044687 193341092 /nfs/dbraw/zinc/34/10/92/193341092.db2.gz HQXPYOPFPBRLJA-UHFFFAOYSA-N 1 0 308.447 2.059 10 0 DEAERO CN(Cc1ccc(Br)cc1N)C[C@H]1CC[N@H+](C)C1 ZINC000094048043 193341857 /nfs/dbraw/zinc/34/18/57/193341857.db2.gz XAXSUEXHKDMQNP-NSHDSACASA-N 1 0 312.255 2.415 10 0 DEAERO CC(C)([C@H]([NH3+])c1ccc(F)c(Br)c1)S(C)(=O)=O ZINC000094095671 193344748 /nfs/dbraw/zinc/34/47/48/193344748.db2.gz WDSIOXPQVSBFOY-SNVBAGLBSA-N 1 0 324.215 2.411 10 0 DEAERO CCC[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(C)(C)OC ZINC000094643008 193388684 /nfs/dbraw/zinc/38/86/84/193388684.db2.gz LJVQFIIGJPOVCW-HZSPNIEDSA-N 1 0 305.484 2.383 10 0 DEAERO CCC[NH2+]C[C@@H]1CCCN([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094644259 193389461 /nfs/dbraw/zinc/38/94/61/193389461.db2.gz SQSODBPRORDJSC-XHSDSOJGSA-N 1 0 316.511 2.054 10 0 DEAERO CC[NH2+]Cc1c(C)nn([C@H]2CCC[C@H](S(C)(=O)=O)C2)c1C ZINC000094643982 193389639 /nfs/dbraw/zinc/38/96/39/193389639.db2.gz BRGCSZQZOQXFBE-KBPBESRZSA-N 1 0 313.467 2.138 10 0 DEAERO COc1cc(Br)c(C(=O)[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000094649895 193390718 /nfs/dbraw/zinc/39/07/18/193390718.db2.gz QGXANBSIHJWIHM-SNVBAGLBSA-N 1 0 314.179 2.401 10 0 DEAERO COc1cc(Br)c(C(=O)[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000094649894 193391004 /nfs/dbraw/zinc/39/10/04/193391004.db2.gz QGXANBSIHJWIHM-JTQLQIEISA-N 1 0 314.179 2.401 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@@H](C[NH3+])CC(C)C ZINC000094698674 193391744 /nfs/dbraw/zinc/39/17/44/193391744.db2.gz GANBTSDENUSSIL-GFCCVEGCSA-N 1 0 312.376 2.425 10 0 DEAERO [NH3+][C@]1(C(=O)Nc2ccc(Cl)c(Br)c2)CCOC1 ZINC000094670509 193391934 /nfs/dbraw/zinc/39/19/34/193391934.db2.gz QNCAFTFGDXIUCK-LLVKDONJSA-N 1 0 319.586 2.159 10 0 DEAERO COC(=O)[C@@H](C)C[N@H+](C)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094410730 193368525 /nfs/dbraw/zinc/36/85/25/193368525.db2.gz SHMFQIJUPLZTFF-QWHCGFSZSA-N 1 0 301.452 2.172 10 0 DEAERO CC(C)[NH2+]Cc1ncnn1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094412816 193368920 /nfs/dbraw/zinc/36/89/20/193368920.db2.gz ZRUIEXXVSGCRQS-CYBMUJFWSA-N 1 0 310.467 2.393 10 0 DEAERO CC1(C)CCSC[C@H]1[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000094483136 193372897 /nfs/dbraw/zinc/37/28/97/193372897.db2.gz HNNCEAZVNSKIMF-UKRRQHHQSA-N 1 0 309.479 2.374 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Cl)c(CC)nn1C)[C@@H]1CSCCO1 ZINC000094503781 193374586 /nfs/dbraw/zinc/37/45/86/193374586.db2.gz ZXUFNOJLFZGWEN-AAEUAGOBSA-N 1 0 317.886 2.289 10 0 DEAERO C[NH2+][C@H]1CC(C)(C)Cc2nc([C@@H]3CN4CCN3CC4)sc21 ZINC000094511058 193375962 /nfs/dbraw/zinc/37/59/62/193375962.db2.gz SLWNXGZVUQCWJA-AAEUAGOBSA-N 1 0 306.479 2.048 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2F)O1 ZINC000094565291 193380510 /nfs/dbraw/zinc/38/05/10/193380510.db2.gz HCQSXFONTQQUQA-GZMMTYOYSA-N 1 0 317.158 2.033 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)O1 ZINC000094565822 193380615 /nfs/dbraw/zinc/38/06/15/193380615.db2.gz WIJFSTSMXNHLDT-KOLCDFICSA-N 1 0 302.346 2.446 10 0 DEAERO Brc1cccn2nc(N[C@@H]3CCCC[NH2+]C3)nc12 ZINC000094608334 193384439 /nfs/dbraw/zinc/38/44/39/193384439.db2.gz VMVZGLNQHRQZAL-SECBINFHSA-N 1 0 310.199 2.046 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1nc2ccc(Br)cn2n1 ZINC000094608797 193384453 /nfs/dbraw/zinc/38/44/53/193384453.db2.gz CQYKEAVVYJVRKB-SCZZXKLOSA-N 1 0 310.199 2.031 10 0 DEAERO CCc1nn(CC)c(C[NH2+]CC2(C)COC2)c1Br ZINC000094722225 193393917 /nfs/dbraw/zinc/39/39/17/193393917.db2.gz RCLSQYSKUJHYGR-UHFFFAOYSA-N 1 0 316.243 2.354 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])[C@@]2(C)CCCO2)c1Br ZINC000094782759 193397727 /nfs/dbraw/zinc/39/77/27/193397727.db2.gz IKYXGGPJHULOQV-WCQYABFASA-N 1 0 316.243 2.184 10 0 DEAERO C[C@@H](C1CC1)n1nccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000274917110 212031713 /nfs/dbraw/zinc/03/17/13/212031713.db2.gz LHRQFMKSYKEXPP-JSGCOSHPSA-N 1 0 303.410 2.166 10 0 DEAERO COC1([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(C)cc2)CCOCC1 ZINC000453212902 245000066 /nfs/dbraw/zinc/00/00/66/245000066.db2.gz GIUJRJOMSQXSID-NVXWUHKLSA-N 1 0 307.434 2.072 10 0 DEAERO CCC[NH2+][C@H](c1ccnnc1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097312983 193706592 /nfs/dbraw/zinc/70/65/92/193706592.db2.gz AWODZTXQWHEEQD-QEJZJMRPSA-N 1 0 311.451 2.121 10 0 DEAERO CC(=O)N(c1nc(CN[C@H]2CC[NH2+]C23CCC3)cs1)C1CC1 ZINC000530176969 284360507 /nfs/dbraw/zinc/36/05/07/284360507.db2.gz FIHBNLPJFNBHFI-AWEZNQCLSA-N 1 0 320.462 2.033 10 0 DEAERO CCn1cnc2c1ncnc2N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000266284608 205236375 /nfs/dbraw/zinc/23/63/75/205236375.db2.gz VFGZMDLEXPTDNB-STQMWFEESA-N 1 0 302.426 2.013 10 0 DEAERO COc1ccc(Cl)cc1C[C@H]([NH3+])[C@@H]1CCCCS1(=O)=O ZINC000161949865 197532196 /nfs/dbraw/zinc/53/21/96/197532196.db2.gz KHWKWQKMIAZPPR-JSGCOSHPSA-N 1 0 317.838 2.186 10 0 DEAERO Cn1ccnc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1=O ZINC000266386506 205307932 /nfs/dbraw/zinc/30/79/32/205307932.db2.gz NLHPPCMXPZSODA-INIZCTEOSA-N 1 0 312.417 2.247 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000530237163 284382644 /nfs/dbraw/zinc/38/26/44/284382644.db2.gz UJTALDWWUABJFN-QBPKDAKJSA-N 1 0 303.402 2.407 10 0 DEAERO C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N1CCCCC1=O ZINC000530294437 284397838 /nfs/dbraw/zinc/39/78/38/284397838.db2.gz RHDGRXPGGRBWME-OAHLLOKOSA-N 1 0 323.481 2.158 10 0 DEAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000019475644 182124446 /nfs/dbraw/zinc/12/44/46/182124446.db2.gz DAWFSECLBKZUHN-CYBMUJFWSA-N 1 0 309.207 2.273 10 0 DEAERO O=S1(=O)C[C@H]([NH2+]Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000019794338 182150131 /nfs/dbraw/zinc/15/01/31/182150131.db2.gz VMIVEXMISUDXGH-SJORKVTESA-N 1 0 301.411 2.357 10 0 DEAERO [NH3+]C[C@H](c1ccccc1F)N1CCN(c2nccs2)CC1 ZINC000019990095 182174377 /nfs/dbraw/zinc/17/43/77/182174377.db2.gz SMYQBGZLGWOAAV-CQSZACIVSA-N 1 0 306.410 2.104 10 0 DEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000020189410 182195279 /nfs/dbraw/zinc/19/52/79/182195279.db2.gz XTKNXEYHVZGFDD-UHFFFAOYSA-N 1 0 304.415 2.274 10 0 DEAERO C[C@@H]([NH2+]CCNS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000021026230 182262458 /nfs/dbraw/zinc/26/24/58/182262458.db2.gz BWMZQFSMDKFMMD-MRVPVSSYSA-N 1 0 311.234 2.193 10 0 DEAERO COCC[N@H+](CCO)Cc1ccc(Br)c(F)c1 ZINC000267353436 206005352 /nfs/dbraw/zinc/00/53/52/206005352.db2.gz OCYLULDQEWKYEE-UHFFFAOYSA-N 1 0 306.175 2.029 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@@H]2CCCC2(F)F)CC1 ZINC000454779462 246150610 /nfs/dbraw/zinc/15/06/10/246150610.db2.gz DXWYNWCVKCIPLZ-ZDUSSCGKSA-N 1 0 301.381 2.373 10 0 DEAERO CC(C)Cn1c2ccccc2nc1NCCN1CC[NH2+]CC1 ZINC000022863904 182338112 /nfs/dbraw/zinc/33/81/12/182338112.db2.gz SFEPDWGUJFZGET-UHFFFAOYSA-N 1 0 301.438 2.009 10 0 DEAERO CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000267504777 206112627 /nfs/dbraw/zinc/11/26/27/206112627.db2.gz HCJCQKBRHCQDTJ-ZBFHGGJFSA-N 1 0 318.417 2.209 10 0 DEAERO CCCOc1ccc(OCC(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1 ZINC000155051461 291599222 /nfs/dbraw/zinc/59/92/22/291599222.db2.gz JQMSXTZXFDKXQZ-HUUCEWRRSA-N 1 0 320.433 2.405 10 0 DEAERO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261666561 296231401 /nfs/dbraw/zinc/23/14/01/296231401.db2.gz KYUREGZWFPYPTM-WFASDCNBSA-N 1 0 310.463 2.210 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc(F)cc1Br)[S@@](C)=O ZINC000159823435 197367215 /nfs/dbraw/zinc/36/72/15/197367215.db2.gz LUSBFEHJYSILPI-PWJLMRLQSA-N 1 0 308.216 2.445 10 0 DEAERO Cc1ccccc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000035230386 182763674 /nfs/dbraw/zinc/76/36/74/182763674.db2.gz MRVYSPFMHDIQLK-ZDUSSCGKSA-N 1 0 304.415 2.493 10 0 DEAERO CC[C@@H](O)COc1c(Br)cc(C[NH3+])cc1OC ZINC000037711749 182919102 /nfs/dbraw/zinc/91/91/02/182919102.db2.gz LTCIXQVTDNPRMN-SECBINFHSA-N 1 0 304.184 2.066 10 0 DEAERO CC(C)C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000037946315 182941769 /nfs/dbraw/zinc/94/17/69/182941769.db2.gz MQCZNYXTMGGVMO-NSHDSACASA-N 1 0 303.175 2.360 10 0 DEAERO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCOCC1 ZINC000038832725 183011556 /nfs/dbraw/zinc/01/15/56/183011556.db2.gz PBIMCSUCZNLMJD-HNNXBMFYSA-N 1 0 322.836 2.411 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1cnc2cc(C)c(C)cc2n1 ZINC000040312303 183053577 /nfs/dbraw/zinc/05/35/77/183053577.db2.gz ZUURBXQCTCVUMN-UHFFFAOYSA-N 1 0 300.406 2.318 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2Br)C1 ZINC000040629750 183111146 /nfs/dbraw/zinc/11/11/46/183111146.db2.gz KLWSIRSZASJVAD-BXKDBHETSA-N 1 0 313.195 2.073 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)CC[NH2+]C(C)C)CCC2 ZINC000040858913 183142967 /nfs/dbraw/zinc/14/29/67/183142967.db2.gz VOBIUDBWQGLICE-UHFFFAOYSA-N 1 0 310.419 2.350 10 0 DEAERO C[N@@H+]1CCC[C@H](Nc2c(C(N)=S)cnc3ccccc32)C1 ZINC000040716156 183122989 /nfs/dbraw/zinc/12/29/89/183122989.db2.gz NLMMXGBOSUINNB-NSHDSACASA-N 1 0 300.431 2.375 10 0 DEAERO C[C@H]1CC[N@H+](CCCC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000040718315 183123426 /nfs/dbraw/zinc/12/34/26/183123426.db2.gz VVZIVEYUTLJJBQ-LBPRGKRZSA-N 1 0 305.447 2.381 10 0 DEAERO O=C1CC2(CCCC2)CC(=O)N1c1nc2c(s1)C[NH2+]CC2 ZINC000041157113 183179528 /nfs/dbraw/zinc/17/95/28/183179528.db2.gz PHOQRBBPBPRGIS-UHFFFAOYSA-N 1 0 305.403 2.003 10 0 DEAERO C[NH+](C)CCC(=O)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000041536429 183199934 /nfs/dbraw/zinc/19/99/34/183199934.db2.gz PNMXBGZHFLBYPE-KRWDZBQOSA-N 1 0 301.365 2.378 10 0 DEAERO C[NH+](C)CCCNc1ncnc2c1cnn2-c1cccc(F)c1 ZINC000041471714 183193347 /nfs/dbraw/zinc/19/33/47/183193347.db2.gz KFHFVICOIHMAHL-UHFFFAOYSA-N 1 0 314.368 2.318 10 0 DEAERO COc1ccc2c(NCCCC[NH+](C)C)ncnc2c1OC ZINC000041470412 183193569 /nfs/dbraw/zinc/19/35/69/183193569.db2.gz IKIHQNNEFVYFAE-UHFFFAOYSA-N 1 0 304.394 2.401 10 0 DEAERO CCOc1cc(/C=C\C(=O)N[C@@H]2CCC[N@H+](CC)C2)ccc1O ZINC000493445507 249296390 /nfs/dbraw/zinc/29/63/90/249296390.db2.gz BFDOBEIPTUMTPA-WKTRQSJXSA-N 1 0 318.417 2.405 10 0 DEAERO CC(C)[C@H](CNC(=O)c1ccc(Br)o1)[NH+](C)C ZINC000041935755 183225946 /nfs/dbraw/zinc/22/59/46/183225946.db2.gz AWUKQNGZNOWFET-VIFPVBQESA-N 1 0 303.200 2.358 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000041924797 183226129 /nfs/dbraw/zinc/22/61/29/183226129.db2.gz GQEAFBLNRWSLMI-SMDDNHRTSA-N 1 0 321.396 2.098 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000041604081 183209406 /nfs/dbraw/zinc/20/94/06/183209406.db2.gz GAHYDCHCQMTYTG-CQSZACIVSA-N 1 0 305.422 2.088 10 0 DEAERO COCCCN(CCOC)[C@@H](C[NH3+])c1ccccc1Cl ZINC000042420996 183267929 /nfs/dbraw/zinc/26/79/29/183267929.db2.gz LDIRDCRZGIOHFZ-HNNXBMFYSA-N 1 0 300.830 2.325 10 0 DEAERO CN(Cc1ccccc1Br)C1(C[NH3+])CCOCC1 ZINC000042440928 183270568 /nfs/dbraw/zinc/27/05/68/183270568.db2.gz SJDHPTHABJEPOK-UHFFFAOYSA-N 1 0 313.239 2.389 10 0 DEAERO C[NH2+]Cc1c(N(CCO)C2CCCCC2)nc2sccn12 ZINC000042512066 183278707 /nfs/dbraw/zinc/27/87/07/183278707.db2.gz PQXKRBOOGBVLPB-UHFFFAOYSA-N 1 0 308.451 2.247 10 0 DEAERO Nc1[nH+]c2cc(Br)ccc2n1CCn1cccn1 ZINC000042542058 183282786 /nfs/dbraw/zinc/28/27/86/183282786.db2.gz XQJWYWHQXHXQIC-UHFFFAOYSA-N 1 0 306.167 2.278 10 0 DEAERO CC[C@H](C)N(CCOC)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000042593849 183289492 /nfs/dbraw/zinc/28/94/92/183289492.db2.gz WMQQVIKRVDJDTH-QWHCGFSZSA-N 1 0 314.451 2.142 10 0 DEAERO CCN(CC(F)(F)F)[C@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000042739561 183303925 /nfs/dbraw/zinc/30/39/25/183303925.db2.gz GVCKYLMWCSFESA-SNVBAGLBSA-N 1 0 303.328 2.357 10 0 DEAERO CCCN(CCO)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042954330 183321628 /nfs/dbraw/zinc/32/16/28/183321628.db2.gz RHHAOTDOHMDEPD-CYBMUJFWSA-N 1 0 301.228 2.153 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCC[C@@H]1C(=O)N(C)C ZINC000043014540 183327740 /nfs/dbraw/zinc/32/77/40/183327740.db2.gz WCXGXLMDUHLYAQ-GLQYFDAESA-N 1 0 309.841 2.281 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCC[C@@H]1C(=O)NC ZINC000043052326 183332898 /nfs/dbraw/zinc/33/28/98/183332898.db2.gz NJGGABSHIPYHST-KFWWJZLASA-N 1 0 309.841 2.329 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CC(=O)NC1CC1 ZINC000043051478 183332941 /nfs/dbraw/zinc/33/29/41/183332941.db2.gz JWHIXGHNOKABNN-HOCLYGCPSA-N 1 0 309.841 2.329 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(C)s1 ZINC000043247028 183346423 /nfs/dbraw/zinc/34/64/23/183346423.db2.gz UUUSAKMTYBQJPY-PRHODGIISA-N 1 0 310.448 2.293 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(CC(N)=O)C(C)C ZINC000043253844 183347866 /nfs/dbraw/zinc/34/78/66/183347866.db2.gz DCPYARSVOUEUML-ZANVPECISA-N 1 0 303.859 2.376 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N1CCOCC1 ZINC000043258526 183348180 /nfs/dbraw/zinc/34/81/80/183348180.db2.gz BJGPKJWDBUZDSZ-LDYMZIIASA-N 1 0 305.241 2.231 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CCC[C@@H]1CO ZINC000043261344 183349256 /nfs/dbraw/zinc/34/92/56/183349256.db2.gz XNMCCSBEQTVXFP-SBMIAAHKSA-N 1 0 319.268 2.356 10 0 DEAERO CN(C)C(C)(C)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000043411242 183359424 /nfs/dbraw/zinc/35/94/24/183359424.db2.gz GHAZFFFUPDGBPW-ZDUSSCGKSA-N 1 0 300.830 2.010 10 0 DEAERO C[N@@H+]1CCC[C@@H]1CCOc1nc2c(cc1C(N)=S)CCC2 ZINC000043409262 183359612 /nfs/dbraw/zinc/35/96/12/183359612.db2.gz OROGDHVVFCXDOV-GFCCVEGCSA-N 1 0 305.447 2.068 10 0 DEAERO C[C@@H]([NH3+])[C@@H](N1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000043376592 183357672 /nfs/dbraw/zinc/35/76/72/183357672.db2.gz FRLOJWOZFIMWLG-TZMCWYRMSA-N 1 0 301.356 2.082 10 0 DEAERO COCCCN(CCOC)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390593 183358038 /nfs/dbraw/zinc/35/80/38/183358038.db2.gz XVIGTYQBZOIWNS-HNNXBMFYSA-N 1 0 318.820 2.464 10 0 DEAERO Brc1ccc(SCCN2CC[NH2+]CC2)cc1 ZINC000043500575 183367242 /nfs/dbraw/zinc/36/72/42/183367242.db2.gz UOUBWXLIWNXTCB-UHFFFAOYSA-N 1 0 301.253 2.446 10 0 DEAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000284630883 218106937 /nfs/dbraw/zinc/10/69/37/218106937.db2.gz SQTFUIONIGRFCS-JKSUJKDBSA-N 1 0 321.808 2.107 10 0 DEAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000284635282 218110867 /nfs/dbraw/zinc/11/08/67/218110867.db2.gz TYBLWIJFEVLRDD-LSDHHAIUSA-N 1 0 306.793 2.470 10 0 DEAERO CCOc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000105116202 194076761 /nfs/dbraw/zinc/07/67/61/194076761.db2.gz WWXXDSAABSEDGU-INIZCTEOSA-N 1 0 317.433 2.465 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@@H]1CCCO1 ZINC000105146481 194078870 /nfs/dbraw/zinc/07/88/70/194078870.db2.gz RUZJGLVQZKBYRY-XHSDSOJGSA-N 1 0 309.454 2.214 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(CCOc2ccc(Cl)cc2)C[C@H]1C ZINC000105821076 194135677 /nfs/dbraw/zinc/13/56/77/194135677.db2.gz WSQMTBHAPRPDSU-ZIAGYGMSSA-N 1 0 312.841 2.106 10 0 DEAERO Cc1noc(C)c1CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863056 194150547 /nfs/dbraw/zinc/15/05/47/194150547.db2.gz QNKAFDJBLNYTIW-UHFFFAOYSA-N 1 0 317.437 2.084 10 0 DEAERO CC[C@H]1CN(Cc2cc(OC)ccc2OC)CC[N@@H+]1CCOC ZINC000106115330 194187411 /nfs/dbraw/zinc/18/74/11/194187411.db2.gz KXCDAPHWRUMXGQ-INIZCTEOSA-N 1 0 322.449 2.246 10 0 DEAERO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(CCO)CC1 ZINC000553062743 291731721 /nfs/dbraw/zinc/73/17/21/291731721.db2.gz IFFLZVMOIVXSCQ-ANQUJSFKSA-N 1 0 310.482 2.410 10 0 DEAERO COc1cccc([C@@H]2C[C@@H]2C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000106763991 194250547 /nfs/dbraw/zinc/25/05/47/194250547.db2.gz WPCNVWQBRMYNQU-IRXDYDNUSA-N 1 0 302.418 2.257 10 0 DEAERO CC(C)C[C@H](C)OC[C@@H](O)C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555614 183740999 /nfs/dbraw/zinc/74/09/99/183740999.db2.gz SEOVMRWTRSLVNT-ULQDDVLXSA-N 1 0 302.503 2.364 10 0 DEAERO CCCN(C1(C[NH3+])CCCC1)S(=O)(=O)N1CCCCCC1 ZINC000050093215 183772501 /nfs/dbraw/zinc/77/25/01/183772501.db2.gz OKFUHXXVBYGRSP-UHFFFAOYSA-N 1 0 317.499 2.091 10 0 DEAERO CC(C)(C)NC(=O)[C@@H](C[NH3+])Cc1ccccc1OC(F)F ZINC000050304435 183781970 /nfs/dbraw/zinc/78/19/70/183781970.db2.gz XHXXUAONUKNSEH-LLVKDONJSA-N 1 0 300.349 2.320 10 0 DEAERO C[NH2+]CCc1nnc(-c2ccc(OC)c(Br)c2)o1 ZINC000050619623 183791144 /nfs/dbraw/zinc/79/11/44/183791144.db2.gz IHWFGKPOMXAMIP-UHFFFAOYSA-N 1 0 312.167 2.270 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1ccc(N)c(C(F)(F)F)c1 ZINC000050698113 183800740 /nfs/dbraw/zinc/80/07/40/183800740.db2.gz YFXUNFNPZYDAJA-UHFFFAOYSA-N 1 0 303.328 2.359 10 0 DEAERO C[C@H]([NH2+]CCc1nncn1C)c1ccc(Br)cc1 ZINC000109421017 194262826 /nfs/dbraw/zinc/26/28/26/194262826.db2.gz ZRUFXJYIRZOGAZ-JTQLQIEISA-N 1 0 309.211 2.471 10 0 DEAERO O=C(c1ccc(Br)o1)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051358625 183824897 /nfs/dbraw/zinc/82/48/97/183824897.db2.gz MVMIWXYFOLMTEU-ZJUUUORDSA-N 1 0 313.195 2.399 10 0 DEAERO O=S(=O)(c1ccccc1OC[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000051883073 183840458 /nfs/dbraw/zinc/84/04/58/183840458.db2.gz CVWKOQOLPXYSPV-SNVBAGLBSA-N 1 0 323.336 2.359 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)C[C@H](C)O ZINC000051817471 183837464 /nfs/dbraw/zinc/83/74/64/183837464.db2.gz YQUVGGYUBOUWHU-OPQQBVKSSA-N 1 0 301.228 2.150 10 0 DEAERO CCC[NH2+]C[C@H]1CC[C@@H](Cn2cc(Br)cn2)O1 ZINC000052577569 183865249 /nfs/dbraw/zinc/86/52/49/183865249.db2.gz VSEAFESKZUKZRE-NEPJUHHUSA-N 1 0 302.216 2.193 10 0 DEAERO CC[C@@H]1CN(Cc2ncc(C)c(OC)c2C)CC[N@@H+]1CCOC ZINC000110031114 194304300 /nfs/dbraw/zinc/30/43/00/194304300.db2.gz LXUPZUXUHJENRS-MRXNPFEDSA-N 1 0 321.465 2.250 10 0 DEAERO CCC[NH2+]C[C@H](Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950878 183881507 /nfs/dbraw/zinc/88/15/07/183881507.db2.gz IBEMAQOWGMIJHT-OLZOCXBDSA-N 1 0 301.477 2.341 10 0 DEAERO CC[C@@H](C(N)=S)[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000110460809 194332263 /nfs/dbraw/zinc/33/22/63/194332263.db2.gz CGSBCIYLKACXKB-INIZCTEOSA-N 1 0 305.491 2.302 10 0 DEAERO CC[NH2+]Cc1cc(Br)cnc1O[C@@H]1CCOC1 ZINC000110532503 194337013 /nfs/dbraw/zinc/33/70/13/194337013.db2.gz JTQGVMWYJFPEHM-LLVKDONJSA-N 1 0 301.184 2.121 10 0 DEAERO COc1ccc(C[C@@]2(O)CCC[NH2+]C2)cc1Br ZINC000110551281 194338277 /nfs/dbraw/zinc/33/82/77/194338277.db2.gz SIIIVKYPEPMRFE-ZDUSSCGKSA-N 1 0 300.196 2.115 10 0 DEAERO C[C@H]1CSCCN1c1cc(NN)[nH+]c(-c2ccccc2)n1 ZINC000159333031 197345688 /nfs/dbraw/zinc/34/56/88/197345688.db2.gz OHEORRFDPOPWIT-NSHDSACASA-N 1 0 301.419 2.371 10 0 DEAERO C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(N)=S)c2)CC1 ZINC000110804652 194359971 /nfs/dbraw/zinc/35/99/71/194359971.db2.gz CFNXCLZTALEGPB-GFCCVEGCSA-N 1 0 305.447 2.381 10 0 DEAERO CCOC(=O)[C@@]1(NCc2cccs2)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156542212 197121845 /nfs/dbraw/zinc/12/18/45/197121845.db2.gz GWVSKNUZHJZOJM-CZUORRHYSA-N 1 0 308.447 2.398 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](SCCS(C)(=O)=O)c1ccc(OC)cc1 ZINC000111004092 194380559 /nfs/dbraw/zinc/38/05/59/194380559.db2.gz TWTPIMOTQJYNDV-KGLIPLIRSA-N 1 0 317.476 2.251 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](CC2([NH3+])CCCCCCC2)C1 ZINC000156773640 197139489 /nfs/dbraw/zinc/13/94/89/197139489.db2.gz HSPGAZTTYYRNGQ-AWEZNQCLSA-N 1 0 302.484 2.490 10 0 DEAERO CCOCC[N@H+](CC)CCCC[C@@](C)(NC)C(=O)OCC ZINC000111121846 194392414 /nfs/dbraw/zinc/39/24/14/194392414.db2.gz XMHYWRYFHGASTF-MRXNPFEDSA-N 1 0 302.459 2.056 10 0 DEAERO CN(C[C@H]1CCCOC1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000111157818 194396700 /nfs/dbraw/zinc/39/67/00/194396700.db2.gz ISHFIAQHFMGXRJ-MNOVXSKESA-N 1 0 317.227 2.400 10 0 DEAERO CN(CC1CCOCC1)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000111159507 194397156 /nfs/dbraw/zinc/39/71/56/194397156.db2.gz CSORCRYAXLSHPF-LLVKDONJSA-N 1 0 317.227 2.400 10 0 DEAERO COC(=O)[C@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CC1 ZINC000358844666 291765255 /nfs/dbraw/zinc/76/52/55/291765255.db2.gz DTDUBDYHLNNVDS-SUMWQHHRSA-N 1 0 317.433 2.148 10 0 DEAERO CC(=O)Nc1nc(CN2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000056494159 184013976 /nfs/dbraw/zinc/01/39/76/184013976.db2.gz MEKPFTXBXGEAEX-UHFFFAOYSA-N 1 0 322.478 2.409 10 0 DEAERO CC[NH2+]C[C@@H](Cc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000157308722 197178282 /nfs/dbraw/zinc/17/82/82/197178282.db2.gz ORUQKFMKVWUFMI-VXGBXAGGSA-N 1 0 317.401 2.168 10 0 DEAERO C[C@H](CN1CC[NH+](C)CC1)OC(=O)c1cc2ccccc2o1 ZINC000059181616 184135539 /nfs/dbraw/zinc/13/55/39/184135539.db2.gz FCYJHAMXAONLEN-CYBMUJFWSA-N 1 0 302.374 2.226 10 0 DEAERO CC[NH2+]CCC(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000061291550 184167616 /nfs/dbraw/zinc/16/76/16/184167616.db2.gz LTBGEZMVYHXKOW-LLVKDONJSA-N 1 0 313.239 2.496 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1ccc(Cl)s1 ZINC000061592518 184175701 /nfs/dbraw/zinc/17/57/01/184175701.db2.gz AAVWTZPJTUMLDS-MUWHJKNJSA-N 1 0 318.855 2.394 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1ccc(Cl)s1 ZINC000061592517 184175883 /nfs/dbraw/zinc/17/58/83/184175883.db2.gz AAVWTZPJTUMLDS-RCOVLWMOSA-N 1 0 318.855 2.394 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1F ZINC000061594687 184176169 /nfs/dbraw/zinc/17/61/69/184176169.db2.gz WGLULPMJWCZIAH-PELKAZGASA-N 1 0 308.382 2.226 10 0 DEAERO CCCn1c(S[C@H](c2ccc(C)cc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594780 184176276 /nfs/dbraw/zinc/17/62/76/184176276.db2.gz KKJOYBLWKSVHJX-YPMHNXCESA-N 1 0 306.435 2.470 10 0 DEAERO CC(C)[NH2+]CCS(=O)(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000061627357 184178996 /nfs/dbraw/zinc/17/89/96/184178996.db2.gz HDAPTULMUVDEHB-UHFFFAOYSA-N 1 0 324.368 2.123 10 0 DEAERO C[C@H]1CN([C@@H](C[NH3+])c2cc3c(c(Cl)c2)OCO3)CCCO1 ZINC000061915084 184195187 /nfs/dbraw/zinc/19/51/87/184195187.db2.gz DZKQQCDWSFPJDW-GWCFXTLKSA-N 1 0 312.797 2.179 10 0 DEAERO CC[NH2+][C@@H]1CCCCC[C@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941253 184197273 /nfs/dbraw/zinc/19/72/73/184197273.db2.gz VYQLEKFOILSDKG-ZIAGYGMSSA-N 1 0 307.404 2.477 10 0 DEAERO CC(C)[NH2+][C@@](C)(CCCCSC1CCOCC1)C(N)=O ZINC000062056558 184203344 /nfs/dbraw/zinc/20/33/44/184203344.db2.gz PONNYDJJNSDFIL-HNNXBMFYSA-N 1 0 302.484 2.311 10 0 DEAERO C[NH+](C)CCCNC(=O)[C@@H](Cc1ccncc1)c1ccccc1 ZINC000062066112 184203888 /nfs/dbraw/zinc/20/38/88/184203888.db2.gz CGDQPPQGSSYRKN-SFHVURJKSA-N 1 0 311.429 2.476 10 0 DEAERO O=C(Nc1c(F)cc(F)cc1Br)[C@H]1CC[NH2+]C1 ZINC000062112678 184206520 /nfs/dbraw/zinc/20/65/20/184206520.db2.gz CCSZFCRSPUWHHE-LURJTMIESA-N 1 0 305.122 2.275 10 0 DEAERO CCCN1C(=O)CC[C@H]([NH3+])[C@@H]1c1ccc(Br)o1 ZINC000062212213 184221747 /nfs/dbraw/zinc/22/17/47/184221747.db2.gz KWBZKJRJHADFQA-QPUJVOFHSA-N 1 0 301.184 2.443 10 0 DEAERO [NH3+]C[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)N1CCCCC1 ZINC000062706170 184248741 /nfs/dbraw/zinc/24/87/41/184248741.db2.gz GMBQTWXZZJWJHX-NSHDSACASA-N 1 0 300.324 2.234 10 0 DEAERO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCCC(N)=O ZINC000062727830 184250815 /nfs/dbraw/zinc/25/08/15/184250815.db2.gz YVCUAEYOVKKQQM-UHFFFAOYSA-N 1 0 314.813 2.348 10 0 DEAERO CCC[NH2+][C@H]1CCc2c1cccc2O[C@@H]1CCS(=O)(=O)C1 ZINC000062799837 184253770 /nfs/dbraw/zinc/25/37/70/184253770.db2.gz XDBWKDNXEBHZJL-DOMZBBRYSA-N 1 0 309.431 2.239 10 0 DEAERO [NH3+][C@@H](CNC(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000062837665 184255570 /nfs/dbraw/zinc/25/55/70/184255570.db2.gz XMKDGVXSMFBKLB-LBPRGKRZSA-N 1 0 320.190 2.274 10 0 DEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000062855344 184256762 /nfs/dbraw/zinc/25/67/62/184256762.db2.gz HRGPEINTLXARGP-HNNXBMFYSA-N 1 0 310.781 2.455 10 0 DEAERO CC[C@]1(C(=O)Nc2cc(C(=O)NC)ccc2Cl)CC[NH2+]C1 ZINC000062892995 184258339 /nfs/dbraw/zinc/25/83/39/184258339.db2.gz GMTAGBJHIXUSOQ-HNNXBMFYSA-N 1 0 309.797 2.028 10 0 DEAERO COc1ccc(OC(F)F)c(NC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000062892658 184258461 /nfs/dbraw/zinc/25/84/61/184258461.db2.gz LWBOEFNREKDUMW-CQSZACIVSA-N 1 0 300.305 2.235 10 0 DEAERO CC[C@@]1(C(=O)Nc2ccc(Cl)cc2C(=O)OC)CC[NH2+]C1 ZINC000062891963 184258616 /nfs/dbraw/zinc/25/86/16/184258616.db2.gz VZAIZCFTHSXJDU-OAHLLOKOSA-N 1 0 310.781 2.455 10 0 DEAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)N1CCC2(CCCC2)CC1 ZINC000062960094 184262565 /nfs/dbraw/zinc/26/25/65/184262565.db2.gz GSHOUTOIKZVQFF-CQSZACIVSA-N 1 0 300.468 2.115 10 0 DEAERO [NH3+]CCCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000062657349 184246642 /nfs/dbraw/zinc/24/66/42/184246642.db2.gz URZUXWPOHBSXIE-UHFFFAOYSA-N 1 0 314.304 2.325 10 0 DEAERO Brc1ccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)s1 ZINC000062669992 184247359 /nfs/dbraw/zinc/24/73/59/184247359.db2.gz LGIXEBIGDOJEFZ-UHFFFAOYSA-N 1 0 313.224 2.310 10 0 DEAERO CCOC(=O)[C@H](C)Oc1ccc(C[NH2+]C)cc1Br ZINC000062700757 184247656 /nfs/dbraw/zinc/24/76/56/184247656.db2.gz OXGOPBMGSYZKKU-VIFPVBQESA-N 1 0 316.195 2.499 10 0 DEAERO CC(C)[NH2+]Cc1ccc(OCCC(N)=O)c(Br)c1 ZINC000062701774 184248098 /nfs/dbraw/zinc/24/80/98/184248098.db2.gz ICGJPBBBHUJOAT-UHFFFAOYSA-N 1 0 315.211 2.201 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@H]2[NH3+])cc1F ZINC000063213469 184278515 /nfs/dbraw/zinc/27/85/15/184278515.db2.gz HGIKLYVKUHWUKY-ZIAGYGMSSA-N 1 0 300.399 2.072 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(c2ncc(Br)cc2N)C1 ZINC000062975802 184263996 /nfs/dbraw/zinc/26/39/96/184263996.db2.gz DGJDYDPGISPIHJ-NSHDSACASA-N 1 0 313.243 2.347 10 0 DEAERO NC(=S)c1cccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000062980138 184264030 /nfs/dbraw/zinc/26/40/30/184264030.db2.gz XEVQBSBARLWIST-INIZCTEOSA-N 1 0 303.475 2.381 10 0 DEAERO NC(=S)c1ccccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062980136 184264402 /nfs/dbraw/zinc/26/44/02/184264402.db2.gz NZTAMUHAVQWBEV-HNNXBMFYSA-N 1 0 303.475 2.381 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000063016755 184266913 /nfs/dbraw/zinc/26/69/13/184266913.db2.gz JYWCBZYUXMQIOW-CYBMUJFWSA-N 1 0 315.435 2.179 10 0 DEAERO C[C@]([NH3+])(CCCS(C)(=O)=O)c1cccc(Br)c1 ZINC000063016355 184266930 /nfs/dbraw/zinc/26/69/30/184266930.db2.gz NTZCKNLVFUEKIV-LBPRGKRZSA-N 1 0 320.252 2.448 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])Cc1ccccc1Br ZINC000063017360 184267075 /nfs/dbraw/zinc/26/70/75/184267075.db2.gz PWZXEHXYHFGTCV-NSHDSACASA-N 1 0 320.252 2.144 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(Cl)ccc1OCCCS(C)(=O)=O ZINC000063017550 184267086 /nfs/dbraw/zinc/26/70/86/184267086.db2.gz KMGMLVIUGQLMTN-CYBMUJFWSA-N 1 0 319.854 2.433 10 0 DEAERO Cc1cccc(SCc2nc3c(cnn3C)c(NN)[nH+]2)c1 ZINC000063084364 184269598 /nfs/dbraw/zinc/26/95/98/184269598.db2.gz MAIVXYSJARSPSU-UHFFFAOYSA-N 1 0 300.391 2.250 10 0 DEAERO C[NH2+]CC1CCN(CC(=O)Nc2ccccc2SC)CC1 ZINC000063165991 184275069 /nfs/dbraw/zinc/27/50/69/184275069.db2.gz JLWFVOXITFYYES-UHFFFAOYSA-N 1 0 307.463 2.278 10 0 DEAERO COc1ccc(Br)c(C(=O)N[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000063172393 184276027 /nfs/dbraw/zinc/27/60/27/184276027.db2.gz PJMUACKHWNRXIO-NWDGAFQWSA-N 1 0 313.195 2.067 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1cc(Br)cn1C1CC1 ZINC000063172555 184276120 /nfs/dbraw/zinc/27/61/20/184276120.db2.gz IMGMQQQZVDLUQG-QWRGUYRKSA-N 1 0 312.211 2.195 10 0 DEAERO C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccc2ccccc2c1 ZINC000112545971 194484012 /nfs/dbraw/zinc/48/40/12/194484012.db2.gz UFSKBCRHFGAIJX-CYBMUJFWSA-N 1 0 311.385 2.432 10 0 DEAERO CC(C)COc1cccc(CN2CCN(CCC[NH3+])CC2)c1 ZINC000066143135 184393268 /nfs/dbraw/zinc/39/32/68/184393268.db2.gz HUSHZIXHYMXJIG-UHFFFAOYSA-N 1 0 305.466 2.188 10 0 DEAERO O=C(Nc1ccccc1OC[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000066152653 184393463 /nfs/dbraw/zinc/39/34/63/184393463.db2.gz BIIKZSQPGFCWQR-ZIAGYGMSSA-N 1 0 304.390 2.183 10 0 DEAERO CCC[NH2+][C@@](C)(C[C@H](C)Sc1nc(C)cc(C)n1)C(N)=O ZINC000068640651 184495546 /nfs/dbraw/zinc/49/55/46/184495546.db2.gz YHNXMLJUCXSGII-WFASDCNBSA-N 1 0 310.467 2.208 10 0 DEAERO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)CC1CCCCC1 ZINC000134022326 296346170 /nfs/dbraw/zinc/34/61/70/296346170.db2.gz RNEYJIWFKAWZEZ-HIFRSBDPSA-N 1 0 302.484 2.394 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000182054460 285038731 /nfs/dbraw/zinc/03/87/31/285038731.db2.gz OEDYXVKGBMTDMR-KSSFIOAISA-N 1 0 319.449 2.406 10 0 DEAERO COc1cc(C[N@H+](C)C[C@H]2CCCOC2)cc2c1OCCO2 ZINC000119738556 195028027 /nfs/dbraw/zinc/02/80/27/195028027.db2.gz QNOWKRNFWCTYBV-CYBMUJFWSA-N 1 0 307.390 2.325 10 0 DEAERO CCC1(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CCCC1 ZINC000119906134 195058843 /nfs/dbraw/zinc/05/88/43/195058843.db2.gz HXLPVBHQKKPXCW-HNNXBMFYSA-N 1 0 311.470 2.103 10 0 DEAERO CC(C)[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1CC[S@](C)=O ZINC000159181816 197334043 /nfs/dbraw/zinc/33/40/43/197334043.db2.gz HCVCOXZEQCMUAY-CSODHUTKSA-N 1 0 308.491 2.210 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000159172939 197333372 /nfs/dbraw/zinc/33/33/72/197333372.db2.gz ZUEHSMOTPZJDLN-CHWSQXEVSA-N 1 0 312.410 2.233 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H]2C)cc(C[NH2+]C(C)C)c1F ZINC000159110078 197328216 /nfs/dbraw/zinc/32/82/16/197328216.db2.gz SLRIBBTYAVBLIC-IINYFYTJSA-N 1 0 314.426 2.319 10 0 DEAERO CCC[NH2+]Cc1cc(S(=O)(=O)N(C)C2CC2)cc(C)c1F ZINC000159061389 197323887 /nfs/dbraw/zinc/32/38/87/197323887.db2.gz CQSWNIQHYBQOCS-UHFFFAOYSA-N 1 0 314.426 2.417 10 0 DEAERO CC[C@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000158997495 197318301 /nfs/dbraw/zinc/31/83/01/197318301.db2.gz VNNKWKYAAFHLOO-IINYFYTJSA-N 1 0 318.389 2.021 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)c1cccc(C)c1)[C@@H]1CCOC1 ZINC000158863780 197307597 /nfs/dbraw/zinc/30/75/97/197307597.db2.gz FFGVFLJEMIZKFW-ZBFHGGJFSA-N 1 0 311.447 2.173 10 0 DEAERO O=C1NCCCC[C@H]1[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000120227295 195123151 /nfs/dbraw/zinc/12/31/51/195123151.db2.gz CTJADFWWYUAEPX-GOSISDBHSA-N 1 0 316.445 2.379 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)ccc1Cl ZINC000158757931 197299265 /nfs/dbraw/zinc/29/92/65/197299265.db2.gz XFCKWHDQTRNYHT-QWRGUYRKSA-N 1 0 314.838 2.219 10 0 DEAERO CC1(C)C[NH2+]C[C@H](COc2nc(Br)cs2)O1 ZINC000158631192 197289632 /nfs/dbraw/zinc/28/96/32/197289632.db2.gz VRDRZHWPMXZBDE-SSDOTTSWSA-N 1 0 307.213 2.051 10 0 DEAERO S=C1N=NC(c2cccnc2)N1[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158568943 197284652 /nfs/dbraw/zinc/28/46/52/197284652.db2.gz JNVPWOOHDWUWSH-OLZOCXBDSA-N 1 0 301.419 2.428 10 0 DEAERO C[NH2+]Cc1cnc(Oc2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000158414022 197269987 /nfs/dbraw/zinc/26/99/87/197269987.db2.gz KYMKCQRHONJCBK-UHFFFAOYSA-N 1 0 306.387 2.305 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1nc(-c2ccccc2)no1 ZINC000158158478 197248323 /nfs/dbraw/zinc/24/83/23/197248323.db2.gz XUCUPJMLAQEHOW-GDBMZVCRSA-N 1 0 312.417 2.448 10 0 DEAERO C[C@H](CCO)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000157986506 197233188 /nfs/dbraw/zinc/23/31/88/197233188.db2.gz UFSXISJHSOQMLR-NVXWUHKLSA-N 1 0 319.449 2.111 10 0 DEAERO Cn1ncc(Br)c1[C@@H](O)C1([NH+](C)C)CCCCC1 ZINC000157674041 197206447 /nfs/dbraw/zinc/20/64/47/197206447.db2.gz PJBDMLJPKKEUKF-GFCCVEGCSA-N 1 0 316.243 2.481 10 0 DEAERO C[N@H+](CCc1nccs1)C[C@H](O)COCc1ccccc1 ZINC000157708361 197209649 /nfs/dbraw/zinc/20/96/49/197209649.db2.gz WCDGOGVNIUFOSO-HNNXBMFYSA-N 1 0 306.431 2.195 10 0 DEAERO CC(C)(C)[C@@H]([NH3+])C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000157586258 197200182 /nfs/dbraw/zinc/20/01/82/197200182.db2.gz APYDIGHSWOLOTH-LBPRGKRZSA-N 1 0 300.349 2.320 10 0 DEAERO O=C(NCC[C@@H]1CCC[NH2+]1)c1ccc(Br)c(F)c1 ZINC000157383097 197183439 /nfs/dbraw/zinc/18/34/39/197183439.db2.gz XABRBVGRYSCFEL-JTQLQIEISA-N 1 0 315.186 2.460 10 0 DEAERO CCOCCN(C)S(=O)(=O)c1cccc([C@@H](CC)[NH2+]C)c1 ZINC000157292389 197177595 /nfs/dbraw/zinc/17/75/95/197177595.db2.gz KXTDLVLCKDHENM-OAHLLOKOSA-N 1 0 314.451 2.014 10 0 DEAERO Cc1cc(N(C)CCc2ccccn2)c(C(N)=S)c(C)[nH+]1 ZINC000156621774 197128173 /nfs/dbraw/zinc/12/81/73/197128173.db2.gz URFCTWGDCIMUQL-UHFFFAOYSA-N 1 0 300.431 2.407 10 0 DEAERO Cc1cccc(S(=O)(=O)CCC[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000156479447 197117447 /nfs/dbraw/zinc/11/74/47/197117447.db2.gz MKKSLYLZIZFNDS-GDBMZVCRSA-N 1 0 311.447 2.316 10 0 DEAERO COc1cccc(C[C@@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)n1 ZINC000558698062 291903166 /nfs/dbraw/zinc/90/31/66/291903166.db2.gz NFPIRJWXTHFZAY-DOMZBBRYSA-N 1 0 300.406 2.422 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2cccc(F)c2Br)C1 ZINC000156015296 197080953 /nfs/dbraw/zinc/08/09/53/197080953.db2.gz IPPZWOSZJQBRND-IUCAKERBSA-N 1 0 315.186 2.398 10 0 DEAERO O=C(N[C@H]1CCC[NH2+]C1)c1cccc(F)c1Br ZINC000155989862 197078765 /nfs/dbraw/zinc/07/87/65/197078765.db2.gz AZYNYBGWXNPSEF-QMMMGPOBSA-N 1 0 301.159 2.070 10 0 DEAERO [NH3+]Cc1ccccc1NC(=O)CC[S@](=O)c1cccs1 ZINC000155970120 197077959 /nfs/dbraw/zinc/07/79/59/197077959.db2.gz JCHQAWFETSDYLV-HXUWFJFHSA-N 1 0 308.428 2.343 10 0 DEAERO [NH3+]Cc1ccccc1NC(=O)C[S@@](=O)Cc1ccccc1 ZINC000155959195 197077691 /nfs/dbraw/zinc/07/76/91/197077691.db2.gz PHCRRUOGFKZJNP-OAQYLSRUSA-N 1 0 302.399 2.033 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000155435441 197055184 /nfs/dbraw/zinc/05/51/84/197055184.db2.gz XLQGQMGZQVFWCU-ZBFHGGJFSA-N 1 0 316.449 2.140 10 0 DEAERO COc1cccc(OC)c1CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155355600 197047249 /nfs/dbraw/zinc/04/72/49/197047249.db2.gz WMCGQOWQCLIKGE-ZFWWWQNUSA-N 1 0 320.433 2.091 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000155069693 197019106 /nfs/dbraw/zinc/01/91/06/197019106.db2.gz INVZNJNQBPRKHB-UHFFFAOYSA-N 1 0 321.469 2.041 10 0 DEAERO O=C(c1ccc(O)cc1F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000154889299 197002117 /nfs/dbraw/zinc/00/21/17/197002117.db2.gz HJWMIPLPZHRWBI-UHFFFAOYSA-N 1 0 306.381 2.479 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000245477354 285241687 /nfs/dbraw/zinc/24/16/87/285241687.db2.gz UILNYGISCDVHAH-MWDXBVQZSA-N 1 0 309.498 2.296 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2ccncc2Br)CC1 ZINC000153529438 196886483 /nfs/dbraw/zinc/88/64/83/196886483.db2.gz FNRMXFZXHHASBN-UHFFFAOYSA-N 1 0 312.211 2.010 10 0 DEAERO c1c(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[nH]nc1-c1ccccc1 ZINC000560278434 291926050 /nfs/dbraw/zinc/92/60/50/291926050.db2.gz OBDNRNLPRKWMLT-CALCHBBNSA-N 1 0 312.417 2.030 10 0 DEAERO Cc1nc(CCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)sc1C ZINC000120654165 195209471 /nfs/dbraw/zinc/20/94/71/195209471.db2.gz CMCVHRVPUGVDLT-SMDDNHRTSA-N 1 0 322.478 2.181 10 0 DEAERO CCc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)n(C)n1 ZINC000120795968 195240029 /nfs/dbraw/zinc/24/00/29/195240029.db2.gz MKMORKPGABXOPJ-JSGCOSHPSA-N 1 0 307.442 2.177 10 0 DEAERO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000120823439 195244060 /nfs/dbraw/zinc/24/40/60/195244060.db2.gz ZVPDVBSVBDQYSO-HOTGVXAUSA-N 1 0 321.396 2.380 10 0 DEAERO C[N@@H+]1C[C@H](COCC2CC2)[C@@]2(CCN(Cc3nccs3)C2)C1 ZINC000248089609 257108927 /nfs/dbraw/zinc/10/89/27/257108927.db2.gz UPLOLUJZAOBOBG-WBVHZDCISA-N 1 0 321.490 2.323 10 0 DEAERO Cc1cc(C(=O)N2Cc3cncn3[C@H](C[NH+](C)C)C2)sc1C ZINC000248112291 257109402 /nfs/dbraw/zinc/10/94/02/257109402.db2.gz KKSSBJALEVANHP-CQSZACIVSA-N 1 0 318.446 2.320 10 0 DEAERO C[N@H+]1[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC000248003248 257112227 /nfs/dbraw/zinc/11/22/27/257112227.db2.gz BGBIPCKKACHOMH-OKZBNKHCSA-N 1 0 324.428 2.118 10 0 DEAERO Cc1occc1C(=O)N1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCOCC1 ZINC000248006488 257112367 /nfs/dbraw/zinc/11/23/67/257112367.db2.gz HNZWBVGRHVZQCU-SJORKVTESA-N 1 0 318.417 2.303 10 0 DEAERO O=C(Cc1ccc(F)cc1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC000247877901 257115475 /nfs/dbraw/zinc/11/54/75/257115475.db2.gz URATZVFTBRYDPG-SJORKVTESA-N 1 0 302.393 2.453 10 0 DEAERO CO[C@@H]1CCN(CC2CC2)[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000247849536 257116067 /nfs/dbraw/zinc/11/60/67/257116067.db2.gz QPRPFIMMKKWKRV-FGTMMUONSA-N 1 0 301.434 2.013 10 0 DEAERO O=C(NCc1ccco1)[C@@H]1C[N@@H+](C2CCCC2)C[C@@H]2OCC[C@@H]21 ZINC000247459662 257119264 /nfs/dbraw/zinc/11/92/64/257119264.db2.gz AKLAQPFNVBGAQY-ZACQAIPSSA-N 1 0 318.417 2.175 10 0 DEAERO O=C(NCC1CC1)[C@@H]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2O1 ZINC000247480404 257119282 /nfs/dbraw/zinc/11/92/82/257119282.db2.gz IRTWMMXXPWDVEM-SQNIBIBYSA-N 1 0 314.429 2.192 10 0 DEAERO Fc1cccc(CN2C[C@@H]3C[NH+](C[C@H]4CCOC4)C[C@H]3C2)c1 ZINC000503718047 257208880 /nfs/dbraw/zinc/20/88/80/257208880.db2.gz WDBOVLFGDAPXCF-BRWVUGGUSA-N 1 0 304.409 2.226 10 0 DEAERO CCOC(=O)Cc1cccc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000544566555 285360007 /nfs/dbraw/zinc/36/00/07/285360007.db2.gz XIWYXQAGODBMLG-UHFFFAOYSA-N 1 0 321.421 2.208 10 0 DEAERO CCC[C@@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CCN1CCOC ZINC000121798145 195348900 /nfs/dbraw/zinc/34/89/00/195348900.db2.gz HQVCQAOZQCBYTB-MOPGFXCFSA-N 1 0 320.477 2.327 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)NCCc1ccc(F)c(F)c1F ZINC000544674238 285367234 /nfs/dbraw/zinc/36/72/34/285367234.db2.gz XSBOPAQUJMOWGY-UHFFFAOYSA-N 1 0 317.355 2.240 10 0 DEAERO CCC[NH2+]Cc1ccc(S[C@H](C)C(=O)NC(=O)NC)cc1 ZINC000124043582 195598331 /nfs/dbraw/zinc/59/83/31/195598331.db2.gz QEWJLBIYRWECTG-LLVKDONJSA-N 1 0 309.435 2.122 10 0 DEAERO NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@@H]1CCOCCC(F)(F)F ZINC000125703241 195777443 /nfs/dbraw/zinc/77/74/43/195777443.db2.gz MYECFUBQJVOPFY-ZWNOBZJWSA-N 1 0 308.344 2.122 10 0 DEAERO CC(C)(C)c1ccc(C[NH2+]C2CCN(CC(N)=O)CC2)s1 ZINC000126373461 195833941 /nfs/dbraw/zinc/83/39/41/195833941.db2.gz GIFMJDIBORYUAY-UHFFFAOYSA-N 1 0 309.479 2.085 10 0 DEAERO CC1(C)CC[C@@H]([NH3+])[C@H](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000128402842 195961120 /nfs/dbraw/zinc/96/11/20/195961120.db2.gz IPXSBHXPHMZNNQ-BFHYXJOUSA-N 1 0 302.484 2.202 10 0 DEAERO Cc1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccn(C)c2)on1 ZINC000328622961 533631755 /nfs/dbraw/zinc/63/17/55/533631755.db2.gz BQIOIPGUMYGNQT-GJZGRUSLSA-N 1 0 306.385 2.024 10 0 DEAERO C[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)[NH2+]CCc1ncn(C)c12 ZINC000725242528 542769756 /nfs/dbraw/zinc/76/97/56/542769756.db2.gz CCOAJLOSKMXREB-PXAZEXFGSA-N 1 0 320.437 2.181 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)COC/C=C/c2ccccc2)C1 ZINC000357427385 133077767 /nfs/dbraw/zinc/07/77/67/133077767.db2.gz QNBAEOJVGHENNW-RCMYXZNBSA-N 1 0 302.418 2.174 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000357763965 133098394 /nfs/dbraw/zinc/09/83/94/133098394.db2.gz QVPVAQMUHSKEOF-LBPRGKRZSA-N 1 0 303.410 2.092 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)nn(C)c2C)C[C@H]1C ZINC000357814867 133101983 /nfs/dbraw/zinc/10/19/83/133101983.db2.gz CYCYMCMILPLMKN-RISCZKNCSA-N 1 0 307.442 2.373 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000358145126 133123849 /nfs/dbraw/zinc/12/38/49/133123849.db2.gz SOFSEIKVZLFVBT-ZFWWWQNUSA-N 1 0 321.469 2.217 10 0 DEAERO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000358168232 133125608 /nfs/dbraw/zinc/12/56/08/133125608.db2.gz QBVGVTPSFLWAPD-CQSZACIVSA-N 1 0 321.469 2.419 10 0 DEAERO COC[C@@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccccc1 ZINC000358188775 133127076 /nfs/dbraw/zinc/12/70/76/133127076.db2.gz LOZOFIWJQBHHSB-QGZVFWFLSA-N 1 0 317.433 2.325 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CCC(=O)CC1 ZINC000360330298 133176261 /nfs/dbraw/zinc/17/62/61/133176261.db2.gz WVCNXVZYWGDVFX-KDOFPFPSSA-N 1 0 314.429 2.382 10 0 DEAERO C[C@H]1C[N@H+](CC(=O)NCCc2cccc3cccnc32)C[C@H]1C ZINC000362445933 133231121 /nfs/dbraw/zinc/23/11/21/133231121.db2.gz FSSGOBUUICQZMZ-GASCZTMLSA-N 1 0 311.429 2.481 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)c1cnn(C)c1)CC2 ZINC000362897820 133257939 /nfs/dbraw/zinc/25/79/39/133257939.db2.gz VSDYWQWJBKGBRO-IMJJTQAJSA-N 1 0 319.453 2.138 10 0 DEAERO Cc1cccnc1C1(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)CC1 ZINC000368292170 133267834 /nfs/dbraw/zinc/26/78/34/133267834.db2.gz UOGGOSYNXVGSGT-AWEZNQCLSA-N 1 0 322.474 2.225 10 0 DEAERO O[C@H](COC1CCOCC1)C[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000368550405 133277780 /nfs/dbraw/zinc/27/77/80/133277780.db2.gz ZKIQFSPLAXSXHV-GOEBONIOSA-N 1 0 309.406 2.363 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cccc2c1OCCO2 ZINC000368657324 133282627 /nfs/dbraw/zinc/28/26/27/133282627.db2.gz FTLCTOWDMOKCFM-KGLIPLIRSA-N 1 0 316.401 2.157 10 0 DEAERO c1ccn2c(c1)nnc2C1CC[NH+](CCOC2CCC2)CC1 ZINC000376503645 133297666 /nfs/dbraw/zinc/29/76/66/133297666.db2.gz UJKHVESNUWEEHD-UHFFFAOYSA-N 1 0 300.406 2.478 10 0 DEAERO CC[N@@H+]1CCCN(C(=O)CC2(CC(=O)OC)CCCC2)CC1 ZINC000372738795 133364099 /nfs/dbraw/zinc/36/40/99/133364099.db2.gz JUUYIPXWIDNHOY-UHFFFAOYSA-N 1 0 310.438 2.054 10 0 DEAERO O=C([C@@H]1CC12CC[NH2+]CC2)N(C[C@H]1CCCO1)C1CCCC1 ZINC000237928374 304301242 /nfs/dbraw/zinc/30/12/42/304301242.db2.gz HTGPGENGQPRPQJ-CVEARBPZSA-N 1 0 306.450 2.326 10 0 DEAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000547405064 285572314 /nfs/dbraw/zinc/57/23/14/285572314.db2.gz ZICQXRGNVDZDIR-CHWSQXEVSA-N 1 0 301.390 2.235 10 0 DEAERO COCC[NH+]1CCN(c2ccc(NC(=O)CC(C)C)cc2)CC1 ZINC000036111798 134694901 /nfs/dbraw/zinc/69/49/01/134694901.db2.gz FFWFFSXVJHGNKE-UHFFFAOYSA-N 1 0 319.449 2.440 10 0 DEAERO Cc1onc(-c2ccccn2)c1C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000128558612 195974369 /nfs/dbraw/zinc/97/43/69/195974369.db2.gz YZUIOZIUJZMKHH-CHWSQXEVSA-N 1 0 314.389 2.258 10 0 DEAERO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000036954766 292067020 /nfs/dbraw/zinc/06/70/20/292067020.db2.gz XLTFEGWRVWTTFS-VXGBXAGGSA-N 1 0 314.451 2.188 10 0 DEAERO OC[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccnc1 ZINC000329377961 296555954 /nfs/dbraw/zinc/55/59/54/296555954.db2.gz OVNHICVIBMRJKR-HZMVEIRTSA-N 1 0 302.418 2.095 10 0 DEAERO O=C(/C=C/c1ccc(O)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000124486460 144710458 /nfs/dbraw/zinc/71/04/58/144710458.db2.gz MVKCTXMCKPTPFF-VMPITWQZSA-N 1 0 300.402 2.492 10 0 DEAERO C[NH2+]C1CCN(C(=O)CCC(=O)c2ccc(F)cc2F)CC1 ZINC000179142994 144870949 /nfs/dbraw/zinc/87/09/49/144870949.db2.gz HSCTWEHXRNOAON-UHFFFAOYSA-N 1 0 310.344 2.138 10 0 DEAERO Cc1cnn([C@H]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)C2)c1 ZINC000183563155 144930839 /nfs/dbraw/zinc/93/08/39/144930839.db2.gz CGELZMQTYYRVMG-AWEZNQCLSA-N 1 0 313.405 2.130 10 0 DEAERO CC[C@H](C)[C@@H](C)C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000184061170 144938810 /nfs/dbraw/zinc/93/88/10/144938810.db2.gz OXGIXCLCXXXGMG-BBWFWOEESA-N 1 0 309.498 2.297 10 0 DEAERO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC000185644668 144966349 /nfs/dbraw/zinc/96/63/49/144966349.db2.gz QDFURAAJPHMDIZ-PSASIEDQSA-N 1 0 320.359 2.190 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ccc(-n3ccnc3)nc2)C1 ZINC000187908357 145004735 /nfs/dbraw/zinc/00/47/35/145004735.db2.gz VSALUCWHQQWYTF-PBHICJAKSA-N 1 0 300.406 2.250 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@H](CO)CC(C)C ZINC000188407270 145011506 /nfs/dbraw/zinc/01/15/06/145011506.db2.gz MEEPDLZHKCQGPY-GJZGRUSLSA-N 1 0 301.475 2.011 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000188465436 145012954 /nfs/dbraw/zinc/01/29/54/145012954.db2.gz BQRGUMAYXBFJPX-JKSUJKDBSA-N 1 0 313.486 2.157 10 0 DEAERO O=C([C@H]1SCCc2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000188617972 145014419 /nfs/dbraw/zinc/01/44/19/145014419.db2.gz JAIKZQHVSCNSAL-INIZCTEOSA-N 1 0 302.443 2.324 10 0 DEAERO NC(=O)CCCCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000188976283 145020713 /nfs/dbraw/zinc/02/07/13/145020713.db2.gz BOYUSGKSNUGSJW-UHFFFAOYSA-N 1 0 317.433 2.309 10 0 DEAERO CCc1ccccc1C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000189118621 145022858 /nfs/dbraw/zinc/02/28/58/145022858.db2.gz XHCQEEUUQIHMRG-QGZVFWFLSA-N 1 0 322.474 2.249 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000189215925 145023820 /nfs/dbraw/zinc/02/38/20/145023820.db2.gz 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DEAERO CCO[C@@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1Oc1ccccc1 ZINC000251878381 145197028 /nfs/dbraw/zinc/19/70/28/145197028.db2.gz ULIFRIKPXWEIBS-JFIYKMOQSA-N 1 0 320.433 2.068 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCOc1ccc2c(c1)OCO2 ZINC000252443656 145199310 /nfs/dbraw/zinc/19/93/10/145199310.db2.gz NUOVKXRKIDVQOK-GJZGRUSLSA-N 1 0 318.417 2.353 10 0 DEAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)n1c(=O)[nH]c2ccccc2c1=O ZINC000253612859 145203334 /nfs/dbraw/zinc/20/33/34/145203334.db2.gz WIGIVMVTLMVVKQ-STQMWFEESA-N 1 0 301.390 2.395 10 0 DEAERO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000261559407 145208071 /nfs/dbraw/zinc/20/80/71/145208071.db2.gz ZBGNQKQQVVWUBU-KRWDZBQOSA-N 1 0 315.461 2.109 10 0 DEAERO C[C@H]1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000261595666 145209277 /nfs/dbraw/zinc/20/92/77/145209277.db2.gz IGCIRBBOQLLDEI-JQWIXIFHSA-N 1 0 313.804 2.477 10 0 DEAERO CCCN(CC(=O)Nc1ccccc1OC)C1CC[NH2+]CC1 ZINC000261603028 145209339 /nfs/dbraw/zinc/20/93/39/145209339.db2.gz CDSPBCSWKFLRMW-UHFFFAOYSA-N 1 0 305.422 2.098 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)OCCO2 ZINC000261626228 145211667 /nfs/dbraw/zinc/21/16/67/145211667.db2.gz CQRWYPVFYXIYFV-WBMJQRKESA-N 1 0 318.417 2.413 10 0 DEAERO Cc1ccc(CCC(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1 ZINC000261642050 145212807 /nfs/dbraw/zinc/21/28/07/145212807.db2.gz IMPYNTLVKZIHLW-UHFFFAOYSA-N 1 0 324.428 2.371 10 0 DEAERO CC(=O)Nc1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261656249 145214306 /nfs/dbraw/zinc/21/43/06/145214306.db2.gz HSPGYJBFRDKNQW-SFHVURJKSA-N 1 0 310.401 2.187 10 0 DEAERO COC(=O)c1cccc(-c2noc([C@H]3CC[NH2+][C@@H](C)C3)n2)c1 ZINC000261688062 145216805 /nfs/dbraw/zinc/21/68/05/145216805.db2.gz HIFAVFMKTKMRMG-JQWIXIFHSA-N 1 0 301.346 2.379 10 0 DEAERO CCC(=O)c1ccc(OCC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261712315 145218801 /nfs/dbraw/zinc/21/88/01/145218801.db2.gz GHKHEGNLGWXRCD-UKRRQHHQSA-N 1 0 318.417 2.244 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000261709456 145218997 /nfs/dbraw/zinc/21/89/97/145218997.db2.gz OZPRXNSTEWEGQV-CYBMUJFWSA-N 1 0 314.426 2.109 10 0 DEAERO c1ccc(-c2nc(CN3CC[NH2+]C[C@@H]3c3cccnc3)no2)cc1 ZINC000261713441 145219689 /nfs/dbraw/zinc/21/96/89/145219689.db2.gz KNQBSUWOPCZMJC-MRXNPFEDSA-N 1 0 321.384 2.278 10 0 DEAERO CC1(C)CN(c2ccc(S(=O)(=O)C(F)F)cc2)CC[C@H]1[NH3+] ZINC000261752067 145222489 /nfs/dbraw/zinc/22/24/89/145222489.db2.gz UATRMQACEOEZOJ-GFCCVEGCSA-N 1 0 318.389 2.247 10 0 DEAERO Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261767441 145224084 /nfs/dbraw/zinc/22/40/84/145224084.db2.gz RUDNOUAEBONGQD-CYBMUJFWSA-N 1 0 316.854 2.396 10 0 DEAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1nc(C)ccc1O ZINC000261769445 145224444 /nfs/dbraw/zinc/22/44/44/145224444.db2.gz RYWKGXMYWAWFBW-MRXNPFEDSA-N 1 0 313.401 2.251 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)CC(=O)Nc1ccccc1F ZINC000261779206 145225793 /nfs/dbraw/zinc/22/57/93/145225793.db2.gz PAVHDVJTYBAAKP-UHFFFAOYSA-N 1 0 315.392 2.268 10 0 DEAERO [NH3+][C@@H](C(=O)Nc1ccc2oc(C3CC3)nc2c1)C1CCOCC1 ZINC000261792959 145227179 /nfs/dbraw/zinc/22/71/79/145227179.db2.gz NQUFEDJGDOUCAW-OAHLLOKOSA-N 1 0 315.373 2.398 10 0 DEAERO Cc1nccn1-c1ncccc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000261810813 145228883 /nfs/dbraw/zinc/22/88/83/145228883.db2.gz GNAXVJGASYSPDT-ZIAGYGMSSA-N 1 0 313.405 2.422 10 0 DEAERO COc1ccccc1NC(=O)[C@@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261815844 145229693 /nfs/dbraw/zinc/22/96/93/145229693.db2.gz PCBVHLAIQUBYDI-IUODEOHRSA-N 1 0 305.422 2.081 10 0 DEAERO Cc1cc(F)c(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1F ZINC000261815825 145229850 /nfs/dbraw/zinc/22/98/50/145229850.db2.gz PBHWYHHMGODPNN-CYBMUJFWSA-N 1 0 318.389 2.021 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261819263 145230403 /nfs/dbraw/zinc/23/04/03/145230403.db2.gz IFTYADLNZWZPMC-DGCLKSJQSA-N 1 0 305.447 2.159 10 0 DEAERO CCN(C(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccc(C)cc1 ZINC000261827697 145231157 /nfs/dbraw/zinc/23/11/57/145231157.db2.gz XINMOFIODNRODT-UHFFFAOYSA-N 1 0 313.405 2.178 10 0 DEAERO Cc1cccc(CCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000261839526 145232584 /nfs/dbraw/zinc/23/25/84/145232584.db2.gz IQVPMAKNELEVIG-JTDSTZFVSA-N 1 0 316.445 2.186 10 0 DEAERO Cc1ccccc1C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261874206 145236096 /nfs/dbraw/zinc/23/60/96/145236096.db2.gz TYIGYLJXDJPNNK-BBWFWOEESA-N 1 0 302.418 2.035 10 0 DEAERO C[C@H](NC(=O)[C@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261872809 145236517 /nfs/dbraw/zinc/23/65/17/145236517.db2.gz TWLNUFRZNWJSLG-OFQRWUPVSA-N 1 0 303.450 2.312 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1ccc(F)c(F)c1 ZINC000261878060 145236648 /nfs/dbraw/zinc/23/66/48/145236648.db2.gz MEAJIYSNQHUMPH-FABXCBLPSA-N 1 0 324.371 2.114 10 0 DEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261886227 145238119 /nfs/dbraw/zinc/23/81/19/145238119.db2.gz ZSWAVMHGZHFKIX-BBWFWOEESA-N 1 0 304.434 2.394 10 0 DEAERO O=C(N1CCC2(CC[NH2+]C2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000261890830 145238227 /nfs/dbraw/zinc/23/82/27/145238227.db2.gz VDUZYTCZYZLBQL-UHFFFAOYSA-N 1 0 302.393 2.459 10 0 DEAERO C[NH2+][C@H](C)Cc1noc([C@@H](NC(=O)c2ccccc2)C(C)C)n1 ZINC000261907337 145240005 /nfs/dbraw/zinc/24/00/05/145240005.db2.gz ZEYZCPPSGFTMFP-DOMZBBRYSA-N 1 0 316.405 2.347 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccc(-c3ccccc3)cc2)O1 ZINC000261916754 145241689 /nfs/dbraw/zinc/24/16/89/145241689.db2.gz YDWWHXYLLSKNTC-MSOLQXFVSA-N 1 0 310.397 2.476 10 0 DEAERO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1F ZINC000261926933 145242649 /nfs/dbraw/zinc/24/26/49/145242649.db2.gz LFHALFCLUMGEMT-OIISXLGYSA-N 1 0 322.424 2.471 10 0 DEAERO CC1(C)CN(C(=O)c2cccnc2N2CCCCC2)CC[C@@H]1[NH3+] ZINC000261937185 145244058 /nfs/dbraw/zinc/24/40/58/145244058.db2.gz JBGBBRVDPACYJD-HNNXBMFYSA-N 1 0 316.449 2.271 10 0 DEAERO [NH3+]C1(C(=O)Nc2cccc(OCC(F)(F)F)c2)CCOCC1 ZINC000261936228 145244353 /nfs/dbraw/zinc/24/43/53/145244353.db2.gz WUHQKMDLSKIJNH-UHFFFAOYSA-N 1 0 318.295 2.074 10 0 DEAERO CCOC(=O)[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)Cc2ccccc21 ZINC000261952016 145246641 /nfs/dbraw/zinc/24/66/41/145246641.db2.gz GCESDWGJIYXYEM-WMZOPIPTSA-N 1 0 302.418 2.149 10 0 DEAERO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261960087 145247213 /nfs/dbraw/zinc/24/72/13/145247213.db2.gz PKSXQWFAJUUMHZ-WKULXVSPSA-N 1 0 310.482 2.184 10 0 DEAERO [NH3+]CC1(C(=O)NCC2(c3ccc(F)cc3)CCC2)CCOCC1 ZINC000261966114 145248127 /nfs/dbraw/zinc/24/81/27/145248127.db2.gz QBBQISNWWVCJNL-UHFFFAOYSA-N 1 0 320.408 2.119 10 0 DEAERO CC1(C)CN(Cc2ccc(Cl)cc2-n2cncn2)CC[C@@H]1[NH3+] ZINC000262032163 145255455 /nfs/dbraw/zinc/25/54/55/145255455.db2.gz XFXYIBWBSGADAI-HNNXBMFYSA-N 1 0 319.840 2.480 10 0 DEAERO Cc1cc(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)c(C)o1 ZINC000262089351 145260413 /nfs/dbraw/zinc/26/04/13/145260413.db2.gz URIYDNYGRKUTMW-UHFFFAOYSA-N 1 0 322.430 2.089 10 0 DEAERO Cc1ccc(-c2ccsc2C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262142474 145266241 /nfs/dbraw/zinc/26/62/41/145266241.db2.gz HHLFSVHERSGJOR-DZGCQCFKSA-N 1 0 316.426 2.034 10 0 DEAERO CC1(C)CN(C(=O)CCc2nc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000262196912 145268882 /nfs/dbraw/zinc/26/88/82/145268882.db2.gz ZXWYJGYLHKFTAX-AWEZNQCLSA-N 1 0 301.390 2.346 10 0 DEAERO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C1C[NH2+]C1 ZINC000262224780 145269993 /nfs/dbraw/zinc/26/99/93/145269993.db2.gz LBZVATSMWYIDSW-UHFFFAOYSA-N 1 0 323.234 2.159 10 0 DEAERO O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)C1C[NH2+]C1 ZINC000262220017 145270011 /nfs/dbraw/zinc/27/00/11/145270011.db2.gz KHKYIIVGZWITMB-IBGZPJMESA-N 1 0 322.408 2.437 10 0 DEAERO CC(C)c1nc([C@H]2CCCN2C(=O)[C@H]2CC[NH2+][C@@H](C)C2)no1 ZINC000262359108 145278336 /nfs/dbraw/zinc/27/83/36/145278336.db2.gz IJCRPPLXLAPDEN-RWMBFGLXSA-N 1 0 306.410 2.245 10 0 DEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262446892 145284451 /nfs/dbraw/zinc/28/44/51/145284451.db2.gz YUUDSZCXWZYWEN-XIRDDKMYSA-N 1 0 304.434 2.265 10 0 DEAERO CC1CCC(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000262464639 145285652 /nfs/dbraw/zinc/28/56/52/145285652.db2.gz IVTKFTLGZOMEPF-IVRBQTHCSA-N 1 0 308.466 2.461 10 0 DEAERO C[C@H](C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)C1C[NH2+]C1 ZINC000262472429 145285805 /nfs/dbraw/zinc/28/58/05/145285805.db2.gz YLXMUTWAQSTBRW-BONVTDFDSA-N 1 0 314.389 2.208 10 0 DEAERO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1nc(C(C)(C)C)no1 ZINC000262468280 145285964 /nfs/dbraw/zinc/28/59/64/145285964.db2.gz MXYLARGCBSSQPA-RNJOBUHISA-N 1 0 320.437 2.465 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1cccc(F)c1F ZINC000262505698 145288967 /nfs/dbraw/zinc/28/89/67/145288967.db2.gz MKMUOXCVWOPJPC-HDIHMHJESA-N 1 0 310.344 2.436 10 0 DEAERO C[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)C1C[NH2+]C1 ZINC000262532565 145290735 /nfs/dbraw/zinc/29/07/35/145290735.db2.gz MEKLFDWNFLQYKV-CYBMUJFWSA-N 1 0 304.434 2.335 10 0 DEAERO CCCN(C(=O)[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CC[NH2+]C1 ZINC000262563090 145293788 /nfs/dbraw/zinc/29/37/88/145293788.db2.gz APTGPNKKENBSEY-ZIAGYGMSSA-N 1 0 306.406 2.063 10 0 DEAERO Cc1ccc([C@H]([NH3+])C(=O)NCc2nccn2CC(C)C)cc1 ZINC000262611510 145296583 /nfs/dbraw/zinc/29/65/83/145296583.db2.gz BYINWUMJWMNGAI-INIZCTEOSA-N 1 0 300.406 2.164 10 0 DEAERO C[C@H](C(=O)NCc1cccnc1N(C)C)[C@H]([NH3+])c1ccccc1 ZINC000262661902 145298469 /nfs/dbraw/zinc/29/84/69/145298469.db2.gz GLVZWNJSKLBFAM-BBRMVZONSA-N 1 0 312.417 2.100 10 0 DEAERO O=C(Nc1ccnc2ccncc21)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262704123 145300906 /nfs/dbraw/zinc/30/09/06/145300906.db2.gz BGCRWCNBOQHCFM-GFCCVEGCSA-N 1 0 322.372 2.003 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000262727051 145302121 /nfs/dbraw/zinc/30/21/21/145302121.db2.gz HNZYHQXVSXFTRF-XHDPSFHLSA-N 1 0 318.808 2.254 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000262769049 145304339 /nfs/dbraw/zinc/30/43/39/145304339.db2.gz LREHCYXYCPHDIK-WPRPVWTQSA-N 1 0 323.245 2.270 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CC[NH2+]1 ZINC000262932368 145312429 /nfs/dbraw/zinc/31/24/29/145312429.db2.gz SWTMMHPDSFYUDV-WCQYABFASA-N 1 0 318.808 2.396 10 0 DEAERO CC(C)Oc1cccc(Cc2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263137333 145329052 /nfs/dbraw/zinc/32/90/52/145329052.db2.gz CCQFUBYFJOBQES-HNNXBMFYSA-N 1 0 316.405 2.024 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cnc(C(C)(C)C)s2)n1 ZINC000263173528 145332214 /nfs/dbraw/zinc/33/22/14/145332214.db2.gz GAJAVDFZJSOCCH-VIFPVBQESA-N 1 0 307.423 2.067 10 0 DEAERO C[C@@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccc(F)c(F)c1 ZINC000263175530 145332803 /nfs/dbraw/zinc/33/28/03/145332803.db2.gz GEPCLHSQGWQSFD-RNCFNFMXSA-N 1 0 308.332 2.076 10 0 DEAERO CCOc1cc(C[NH2+]C2CCC(C(N)=O)CC2)ccc1OC ZINC000315373483 145360131 /nfs/dbraw/zinc/36/01/31/145360131.db2.gz CUPPHXRFUWFCEJ-UHFFFAOYSA-N 1 0 306.406 2.228 10 0 DEAERO C[C@@H]([NH2+]CCC1(F)CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000348434931 146272088 /nfs/dbraw/zinc/27/20/88/146272088.db2.gz WJEYGJSQNIRPRR-LLVKDONJSA-N 1 0 300.399 2.267 10 0 DEAERO CC1CC[NH+](CC(=O)NCc2ccnc(OC(F)F)c2)CC1 ZINC000356990189 147016950 /nfs/dbraw/zinc/01/69/50/147016950.db2.gz SLXLHKYYAFBHKV-UHFFFAOYSA-N 1 0 313.348 2.031 10 0 DEAERO c1ccc(-n2nnnc2CC[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000357348315 147092312 /nfs/dbraw/zinc/09/23/12/147092312.db2.gz DXESCBKGQHLXLW-UHFFFAOYSA-N 1 0 320.400 2.264 10 0 DEAERO C[C@H]1CCCC[C@H]1CCNC(=O)NCCNc1cc[nH+]cc1 ZINC000358626529 147168344 /nfs/dbraw/zinc/16/83/44/147168344.db2.gz IILGQIDEYYGOQA-GJZGRUSLSA-N 1 0 304.438 2.431 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCc2cccc(N(C)C)c2)CC1 ZINC000358630112 147169622 /nfs/dbraw/zinc/16/96/22/147169622.db2.gz ASDDLZHQQRIWKP-UHFFFAOYSA-N 1 0 316.449 2.204 10 0 DEAERO CC[C@@H](CC1CCCC1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000358802248 147208464 /nfs/dbraw/zinc/20/84/64/147208464.db2.gz BVXSDCMNPCJAKZ-KRWDZBQOSA-N 1 0 309.498 2.299 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc3c(cc2C)OCO3)C1 ZINC000359029233 147249797 /nfs/dbraw/zinc/24/97/97/147249797.db2.gz JCCZFZFCAPPMOB-GFCCVEGCSA-N 1 0 305.378 2.187 10 0 DEAERO COCCOC[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000359341698 147310568 /nfs/dbraw/zinc/31/05/68/147310568.db2.gz FBOWHAYRKDEUEP-OAHLLOKOSA-N 1 0 320.433 2.064 10 0 DEAERO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc3cc[nH]c3n2)C[C@H]1C ZINC000360715630 147372934 /nfs/dbraw/zinc/37/29/34/147372934.db2.gz TWJGJSDPAMOBSU-OLZOCXBDSA-N 1 0 315.421 2.187 10 0 DEAERO O=C(C1CCC1)N1CCN(CC[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362913896 147600507 /nfs/dbraw/zinc/60/05/07/147600507.db2.gz PSPLLWCLTAJPTC-UHFFFAOYSA-N 1 0 319.493 2.243 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000367832261 147796359 /nfs/dbraw/zinc/79/63/59/147796359.db2.gz MQJQIMVTGYASLH-ZDUSSCGKSA-N 1 0 314.838 2.069 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(Cl)nc1 ZINC000374525848 148256753 /nfs/dbraw/zinc/25/67/53/148256753.db2.gz CTJSXESREAWHJR-FZMZJTMJSA-N 1 0 323.824 2.166 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3coc(Br)c3)C[C@@H]21 ZINC000374602019 148267541 /nfs/dbraw/zinc/26/75/41/148267541.db2.gz HDQBYIFONQHSLP-DVVUODLYSA-N 1 0 313.195 2.242 10 0 DEAERO CC(C)[NH+](CCNC(=O)N[C@H]1CCCc2nn(C)cc21)C(C)C ZINC000374886516 148300870 /nfs/dbraw/zinc/30/08/70/148300870.db2.gz KHJQZYBLVXBNQN-HNNXBMFYSA-N 1 0 321.469 2.216 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCC[C@@](C)(O)C1)CC2 ZINC000375263250 148349732 /nfs/dbraw/zinc/34/97/32/148349732.db2.gz IRWIXYCIVQNZFZ-YVEFUNNKSA-N 1 0 305.422 2.011 10 0 DEAERO COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CCCC[C@H]2c2ccnn2C)C1 ZINC000375608838 148390495 /nfs/dbraw/zinc/39/04/95/148390495.db2.gz UKYFZUSTCNWGAH-CJNGLKHVSA-N 1 0 319.405 2.183 10 0 DEAERO CC(C)CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C(C)(C)C ZINC000127132691 401721710 /nfs/dbraw/zinc/72/17/10/401721710.db2.gz YZVYENJQUSOWRT-WMLDXEAASA-N 1 0 315.502 2.449 10 0 DEAERO C[C@H](C(=O)N(C)C)[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111696912 401721736 /nfs/dbraw/zinc/72/17/36/401721736.db2.gz NXJALIXQXUBTES-OAHLLOKOSA-N 1 0 315.461 2.238 10 0 DEAERO CCC[NH+](CCC)CCCNC(=O)c1cnn2c1CCCC2 ZINC000127263692 401726377 /nfs/dbraw/zinc/72/63/77/401726377.db2.gz IVDONTDHLZGRGG-UHFFFAOYSA-N 1 0 306.454 2.461 10 0 DEAERO CC[N@@H+]1CCC[C@H](Nc2cncc(-n3nc(C)cc3C)n2)C1 ZINC000112075873 401730274 /nfs/dbraw/zinc/73/02/74/401730274.db2.gz TXNLJNZSAULFRB-AWEZNQCLSA-N 1 0 300.410 2.175 10 0 DEAERO CCC[C@H](CC)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112279523 401735813 /nfs/dbraw/zinc/73/58/13/401735813.db2.gz VIUNZNRZJLTVFF-HNNXBMFYSA-N 1 0 304.438 2.142 10 0 DEAERO CCOc1ccccc1C(F)(F)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000127457965 401736012 /nfs/dbraw/zinc/73/60/12/401736012.db2.gz GWANZTHBWALRMZ-GFCCVEGCSA-N 1 0 312.360 2.340 10 0 DEAERO CCN(C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000074349155 401736655 /nfs/dbraw/zinc/73/66/55/401736655.db2.gz HKBMWHZEYDXMEK-UHFFFAOYSA-N 1 0 301.434 2.453 10 0 DEAERO C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC000112460733 401746527 /nfs/dbraw/zinc/74/65/27/401746527.db2.gz SEUAQNFUZQJHHT-HUUCEWRRSA-N 1 0 311.470 2.175 10 0 DEAERO COC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000126341634 401689773 /nfs/dbraw/zinc/68/97/73/401689773.db2.gz AVKYGFSTMQHEKM-JLSDUUJJSA-N 1 0 303.450 2.307 10 0 DEAERO CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000111266378 401704749 /nfs/dbraw/zinc/70/47/49/401704749.db2.gz IKKWNYWDLQZQHC-OCCSQVGLSA-N 1 0 314.389 2.256 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)cc1F ZINC000126711156 401705576 /nfs/dbraw/zinc/70/55/76/401705576.db2.gz IMUIMUJMKWORCP-VXGBXAGGSA-N 1 0 309.385 2.407 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114479080 401800837 /nfs/dbraw/zinc/80/08/37/401800837.db2.gz JMGIPDIDOLUYGG-UKRRQHHQSA-N 1 0 317.433 2.100 10 0 DEAERO CCOc1c(Cl)cc(Cl)cc1CNCCC[NH2+]CCO ZINC000013733104 401803985 /nfs/dbraw/zinc/80/39/85/401803985.db2.gz DWKZFJCNQQJGGB-UHFFFAOYSA-N 1 0 321.248 2.454 10 0 DEAERO [NH3+]C(CO)(CO)CCc1ccc(CCCCCCCCO)cc1 ZINC000077293475 401808826 /nfs/dbraw/zinc/80/88/26/401808826.db2.gz PLGNULICCCNDPR-UHFFFAOYSA-N 1 0 323.477 2.177 10 0 in-vitro DEAERO COC(=O)Nc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000127815359 401751202 /nfs/dbraw/zinc/75/12/02/401751202.db2.gz GSQRMDPLJHTKKF-STQMWFEESA-N 1 0 319.405 2.420 10 0 DEAERO Cc1cc(N)n(-c2nc3cc(C)c(C)cc3n2CC[NH+](C)C)n1 ZINC000008410174 401752921 /nfs/dbraw/zinc/75/29/21/401752921.db2.gz YPNYEBDNUNTOBL-UHFFFAOYSA-N 1 0 312.421 2.291 10 0 DEAERO CC(C)[C@@H](CNC(=O)N1CCCC(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000112742085 401757318 /nfs/dbraw/zinc/75/73/18/401757318.db2.gz URHROVBQAAEYFO-MRXNPFEDSA-N 1 0 324.513 2.090 10 0 DEAERO O=C1CCCN1C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000127987380 401757971 /nfs/dbraw/zinc/75/79/71/401757971.db2.gz PMDHFXMTWKQMIT-NVXWUHKLSA-N 1 0 322.836 2.364 10 0 DEAERO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000112924358 401761760 /nfs/dbraw/zinc/76/17/60/401761760.db2.gz GDFYSWWSVNXBES-PWSUYJOCSA-N 1 0 314.788 2.457 10 0 DEAERO Cc1[nH]c(=S)sc1CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113224480 401770465 /nfs/dbraw/zinc/77/04/65/401770465.db2.gz YPRDRLCXQGCSHC-GXSJLCMTSA-N 1 0 311.476 2.352 10 0 DEAERO CCc1noc2ncc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)cc12 ZINC000113223916 401770754 /nfs/dbraw/zinc/77/07/54/401770754.db2.gz NQUWQBCEFONPHT-AAEUAGOBSA-N 1 0 314.389 2.094 10 0 DEAERO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128420358 401775981 /nfs/dbraw/zinc/77/59/81/401775981.db2.gz HWQSJOKEJUOZNK-JFIYKMOQSA-N 1 0 308.466 2.405 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc(OC)c1 ZINC000128435832 401776416 /nfs/dbraw/zinc/77/64/16/401776416.db2.gz PMFGUNYEGNBYHQ-AWEZNQCLSA-N 1 0 301.390 2.427 10 0 DEAERO CC[NH+](CC)C[C@H]1CCN(C[C@H](O)COc2ccc(C)cc2)C1 ZINC000076004620 401777141 /nfs/dbraw/zinc/77/71/41/401777141.db2.gz JIIBATPKPOPJLL-MSOLQXFVSA-N 1 0 320.477 2.398 10 0 DEAERO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128522315 401780924 /nfs/dbraw/zinc/78/09/24/401780924.db2.gz NZGDPEKNODHESL-XLMAVXFVSA-N 1 0 308.466 2.308 10 0 DEAERO COCc1cccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113590672 401783030 /nfs/dbraw/zinc/78/30/30/401783030.db2.gz DHPPUYMETGGVID-RHSMWYFYSA-N 1 0 317.433 2.211 10 0 DEAERO CC(C)n1nnnc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113934666 401788262 /nfs/dbraw/zinc/78/82/62/401788262.db2.gz YEWBAJPJPAXJOR-JKSUJKDBSA-N 1 0 320.485 2.340 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2F)[C@H](C)C1 ZINC000076483839 401796403 /nfs/dbraw/zinc/79/64/03/401796403.db2.gz PHSZEAFBMQDXFV-UKRRQHHQSA-N 1 0 308.397 2.393 10 0 DEAERO COc1ccc2c(c1)CCN2C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000130312846 401826984 /nfs/dbraw/zinc/82/69/84/401826984.db2.gz NKJXGOLFOZWSFF-JSGCOSHPSA-N 1 0 315.417 2.393 10 0 DEAERO C[C@H]([NH2+]CCCC(F)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000130328992 401827580 /nfs/dbraw/zinc/82/75/80/401827580.db2.gz DOCMIMGABONUOV-VIFPVBQESA-N 1 0 310.341 2.327 10 0 DEAERO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)[C@@H](C)CO ZINC000077757041 401829422 /nfs/dbraw/zinc/82/94/22/401829422.db2.gz XIAIZPJHOKKABE-LSDHHAIUSA-N 1 0 321.465 2.345 10 0 DEAERO C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000077776223 401830958 /nfs/dbraw/zinc/83/09/58/401830958.db2.gz HRGVZWUHIYLGMY-IAGOWNOFSA-N 1 0 319.449 2.099 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)N2CCOC(C)(C)C2)ccc1F ZINC000115694262 401835311 /nfs/dbraw/zinc/83/53/11/401835311.db2.gz QFVLQGLKTRADJT-UHFFFAOYSA-N 1 0 323.412 2.208 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3F)C2)cn1 ZINC000116314233 401849499 /nfs/dbraw/zinc/84/94/99/401849499.db2.gz UNDNVEQCEBBDAQ-ZDUSSCGKSA-N 1 0 316.380 2.377 10 0 DEAERO CCC(CC)SCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000131804756 401857494 /nfs/dbraw/zinc/85/74/94/401857494.db2.gz PMTIWZOZSRNNKW-AWEZNQCLSA-N 1 0 316.511 2.381 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@]2(C)CCCc3ccccc32)CCO1 ZINC000116791029 401859174 /nfs/dbraw/zinc/85/91/74/401859174.db2.gz OOHHVUSGVQLVSS-VQIMIIECSA-N 1 0 316.445 2.070 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)CCO1 ZINC000116788424 401859244 /nfs/dbraw/zinc/85/92/44/401859244.db2.gz SSLAINNTISKSGD-INIZCTEOSA-N 1 0 304.434 2.387 10 0 DEAERO CC[C@H](CC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116787305 401859378 /nfs/dbraw/zinc/85/93/78/401859378.db2.gz PBBVJUOSMPTUHR-NVXWUHKLSA-N 1 0 304.434 2.359 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccc(Cl)s2)CCO1 ZINC000116797345 401859848 /nfs/dbraw/zinc/85/98/48/401859848.db2.gz HVZWIHDVDIBXFO-LLVKDONJSA-N 1 0 316.854 2.123 10 0 DEAERO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000132216177 401863740 /nfs/dbraw/zinc/86/37/40/401863740.db2.gz QLBSNBVXONJQQB-SNVBAGLBSA-N 1 0 320.817 2.051 10 0 DEAERO CC[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@H]1CCCO1 ZINC000132342351 401865620 /nfs/dbraw/zinc/86/56/20/401865620.db2.gz PSCXSALZZHKKQW-DOTOQJQBSA-N 1 0 320.433 2.314 10 0 DEAERO Cc1cccc([C@H](C)NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1C ZINC000117052189 401867503 /nfs/dbraw/zinc/86/75/03/401867503.db2.gz JUYQILAJYXFOEY-HOTGVXAUSA-N 1 0 319.449 2.336 10 0 DEAERO CC1(C)CCC[N@@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000077382839 401813541 /nfs/dbraw/zinc/81/35/41/401813541.db2.gz GLVKZTMGNULAPO-UHFFFAOYSA-N 1 0 303.406 2.277 10 0 DEAERO CC(C)OC(=O)c1ccc(CN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000135057183 401925612 /nfs/dbraw/zinc/92/56/12/401925612.db2.gz JTOPYPOCFFLDKW-QGZVFWFLSA-N 1 0 320.433 2.014 10 0 DEAERO CCc1cnccc1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119106411 401926112 /nfs/dbraw/zinc/92/61/12/401926112.db2.gz ZDPLCJRLVJYKAC-GASCZTMLSA-N 1 0 319.449 2.263 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)CCCSC)C[C@@H]1CC ZINC000135173236 401929254 /nfs/dbraw/zinc/92/92/54/401929254.db2.gz APCNTGWYBDRDTK-AWEZNQCLSA-N 1 0 302.484 2.089 10 0 DEAERO C[C@@H](C[N@H+](C)CCc1ccc(Cl)cc1)CS(C)(=O)=O ZINC000119180689 401931511 /nfs/dbraw/zinc/93/15/11/401931511.db2.gz XPFAKAUVEPKDKE-LBPRGKRZSA-N 1 0 303.855 2.495 10 0 DEAERO CC[NH+]1CCN([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000042243082 401932423 /nfs/dbraw/zinc/93/24/23/401932423.db2.gz HWICCMVWJHCCSR-KRWDZBQOSA-N 1 0 317.477 2.450 10 0 DEAERO CC[C@@H]1CN(C(=O)Cc2cc(C)ccc2C)CC[N@@H+]1CCOC ZINC000117301539 401873401 /nfs/dbraw/zinc/87/34/01/401873401.db2.gz NABTYFCJNWVYIC-GOSISDBHSA-N 1 0 318.461 2.415 10 0 DEAERO CC[C@@H]1CN(C(=O)CCc2ccccc2C)CC[N@@H+]1CCOC ZINC000117304413 401873842 /nfs/dbraw/zinc/87/38/42/401873842.db2.gz GPRCBPZXANCMCP-GOSISDBHSA-N 1 0 318.461 2.497 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2ccccc2OC)CC[N@@H+]1CCOC ZINC000117399253 401876061 /nfs/dbraw/zinc/87/60/61/401876061.db2.gz HFMTWAOLGBCSPG-AWEZNQCLSA-N 1 0 321.421 2.270 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2ccc(OC)cc2)CC[N@@H+]1CCOC ZINC000117398963 401876263 /nfs/dbraw/zinc/87/62/63/401876263.db2.gz KFSGNZVRLFNHCP-HNNXBMFYSA-N 1 0 321.421 2.270 10 0 DEAERO CCOC(=O)CCCC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000132976601 401877668 /nfs/dbraw/zinc/87/76/68/401877668.db2.gz DUKUWXZVWXQROF-INIZCTEOSA-N 1 0 322.453 2.340 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccccc2)CC[N@@H+]1CCOC ZINC000117468614 401877764 /nfs/dbraw/zinc/87/77/64/401877764.db2.gz SELVIQLUWMNYLO-DOTOQJQBSA-N 1 0 319.449 2.500 10 0 DEAERO CC[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000117478640 401878242 /nfs/dbraw/zinc/87/82/42/401878242.db2.gz FLESCPOGYGSXTG-MRXNPFEDSA-N 1 0 311.470 2.321 10 0 DEAERO CCCNC(=O)c1cccc(C(=O)N[C@H]2CCC[N@H+](CC)C2)c1 ZINC000133018145 401878253 /nfs/dbraw/zinc/87/82/53/401878253.db2.gz HKMSWWOMUSLOKJ-INIZCTEOSA-N 1 0 317.433 2.041 10 0 DEAERO Cc1csc2nc(C)nc(N3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)c12 ZINC000133324592 401881884 /nfs/dbraw/zinc/88/18/84/401881884.db2.gz FNELCLKVIRLQLW-VXGBXAGGSA-N 1 0 320.462 2.199 10 0 DEAERO CCC1CCC(NC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000079974425 401885211 /nfs/dbraw/zinc/88/52/11/401885211.db2.gz KGETZJCFMPFFQS-UHFFFAOYSA-N 1 0 324.513 2.280 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(F)c(C)c1 ZINC000118020007 401888976 /nfs/dbraw/zinc/88/89/76/401888976.db2.gz PUMUJISCLKZLPV-AWEZNQCLSA-N 1 0 309.385 2.366 10 0 DEAERO Cc1nccn1CCCCNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000080563986 401890042 /nfs/dbraw/zinc/89/00/42/401890042.db2.gz QDYFAFVVWXSMSV-HNNXBMFYSA-N 1 0 321.469 2.145 10 0 DEAERO COc1cc(C[NH2+][C@H]2CCO[C@@H]2C)cc(Br)c1O ZINC000135312081 401935382 /nfs/dbraw/zinc/93/53/82/401935382.db2.gz SIDMTCYVGRJIFF-KCJUWKMLSA-N 1 0 316.195 2.430 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NC2CCC(C)CC2)[C@H](C)C1 ZINC000081096596 401893592 /nfs/dbraw/zinc/89/35/92/401893592.db2.gz HYOJMIYMRBOKKW-MNAZLIDISA-N 1 0 309.498 2.343 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCC2CCCCC2)[C@H](C)C1 ZINC000081096820 401893790 /nfs/dbraw/zinc/89/37/90/401893790.db2.gz CDDIHJYJEQKMLG-NVXWUHKLSA-N 1 0 309.498 2.345 10 0 DEAERO C[C@@H](CNC(=O)[C@H]1CCCc2n[nH]cc21)[NH+]1CCC(C)CC1 ZINC000133736502 401894043 /nfs/dbraw/zinc/89/40/43/401894043.db2.gz XMRZJSYSZMVKRB-KBPBESRZSA-N 1 0 304.438 2.066 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CSc2ccccc21 ZINC000118332602 401895844 /nfs/dbraw/zinc/89/58/44/401895844.db2.gz JXHNVNBOTWQZEC-DZGCQCFKSA-N 1 0 320.458 2.103 10 0 DEAERO CN(C)C(=O)c1ccc(CN2CCC(C[NH+]3CCCC3)CC2)[nH]1 ZINC000134198987 401900105 /nfs/dbraw/zinc/90/01/05/401900105.db2.gz AOMJEPJPEYITAH-UHFFFAOYSA-N 1 0 318.465 2.024 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134349209 401902234 /nfs/dbraw/zinc/90/22/34/401902234.db2.gz LNVCQLVPEJREGI-ZIAGYGMSSA-N 1 0 304.438 2.210 10 0 DEAERO Cc1ccccc1SCC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000118722690 401905334 /nfs/dbraw/zinc/90/53/34/401905334.db2.gz WYBSLKXTNODFPM-UHFFFAOYSA-N 1 0 322.474 2.050 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 ZINC000084747701 401909625 /nfs/dbraw/zinc/90/96/25/401909625.db2.gz 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10 0 DEAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000122944710 402102729 /nfs/dbraw/zinc/10/27/29/402102729.db2.gz CZXAEIFPHNPUSO-ZDUSSCGKSA-N 1 0 318.446 2.443 10 0 DEAERO CCOC(=O)CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000152722571 402105497 /nfs/dbraw/zinc/10/54/97/402105497.db2.gz PSDLNXLUZNLABK-HOCLYGCPSA-N 1 0 320.433 2.007 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnc(C(F)(F)F)nc1 ZINC000123022913 402106631 /nfs/dbraw/zinc/10/66/31/402106631.db2.gz SOFOGCCSMMNDNG-JTQLQIEISA-N 1 0 316.327 2.100 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnc(C(F)(F)F)nc1 ZINC000123022663 402106804 /nfs/dbraw/zinc/10/68/04/402106804.db2.gz SOFOGCCSMMNDNG-SNVBAGLBSA-N 1 0 316.327 2.100 10 0 DEAERO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000123041891 402107074 /nfs/dbraw/zinc/10/70/74/402107074.db2.gz UTULDOPEFGURNY-ROUUACIJSA-N 1 0 318.461 2.290 10 0 DEAERO CCC[C@@H](C(=O)NCc1nc(-c2cccs2)no1)[NH+](C)C ZINC000123327101 402122331 /nfs/dbraw/zinc/12/23/31/402122331.db2.gz QLXJMSNSWAEHSX-JTQLQIEISA-N 1 0 308.407 2.145 10 0 DEAERO COc1cccc(OC)c1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122214906 402066994 /nfs/dbraw/zinc/06/69/94/402066994.db2.gz KHTUBJCAWHWWNJ-ZIAGYGMSSA-N 1 0 320.433 2.187 10 0 DEAERO CC[C@@](C)(O)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000123349408 402123665 /nfs/dbraw/zinc/12/36/65/402123665.db2.gz AQVSVVOXOZLHGK-QGZVFWFLSA-N 1 0 308.397 2.135 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccn(-c3ccccc3)n2)CC[N@@H+]1C ZINC000123823468 402148572 /nfs/dbraw/zinc/14/85/72/402148572.db2.gz MHXYBPNWQSMXGX-ZBFHGGJFSA-N 1 0 312.417 2.427 10 0 DEAERO CC[C@H](O)C[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000124542606 402185013 /nfs/dbraw/zinc/18/50/13/402185013.db2.gz LJCCYTAGQJVPBI-VIFPVBQESA-N 1 0 304.184 2.024 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@](C)(CO)C1CCCCC1 ZINC000154032213 402187908 /nfs/dbraw/zinc/18/79/08/402187908.db2.gz JGVLZCXFNMTYMM-WMLDXEAASA-N 1 0 313.486 2.347 10 0 DEAERO CCn1ccnc1CNc1ccc(C(=O)OC)c(C(=O)OC)c1 ZINC000124701995 402193085 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C[C@H](C(=O)N(C)C1CCCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125289711 402224167 /nfs/dbraw/zinc/22/41/67/402224167.db2.gz HZGMCCIEICCKAH-NVXWUHKLSA-N 1 0 307.482 2.336 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CSC(=O)N1)c1ccccc1 ZINC000154798770 402232891 /nfs/dbraw/zinc/23/28/91/402232891.db2.gz CDJZGUBSQZRGRT-UONOGXRCSA-N 1 0 321.446 2.011 10 0 DEAERO O=C(Nc1ccccc1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107666963 402237181 /nfs/dbraw/zinc/23/71/81/402237181.db2.gz JNWILFMAWLSWPD-MRXNPFEDSA-N 1 0 315.417 2.102 10 0 DEAERO CC(C)OCCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107825043 402241297 /nfs/dbraw/zinc/24/12/97/402241297.db2.gz IKKDUWYRZZBWKC-MRXNPFEDSA-N 1 0 311.470 2.461 10 0 DEAERO CC(C)[C@@H](O)CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000155075689 402244578 /nfs/dbraw/zinc/24/45/78/402244578.db2.gz XECOWYNVTJSOQY-ZBFHGGJFSA-N 1 0 321.465 2.432 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000155296534 402251480 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Cc1ccc(CCCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000246613578 402538554 /nfs/dbraw/zinc/53/85/54/402538554.db2.gz CNEIQCITYGBYKS-IRXDYDNUSA-N 1 0 318.461 2.231 10 0 DEAERO COCc1ccc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000190149861 402579241 /nfs/dbraw/zinc/57/92/41/402579241.db2.gz JXLNUELCNWGDSR-CVEARBPZSA-N 1 0 317.389 2.486 10 0 DEAERO C[C@@H](C(=O)Nc1nccs1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171387638 402583322 /nfs/dbraw/zinc/58/33/22/402583322.db2.gz MGTFUKOZRBDBBZ-ZDUSSCGKSA-N 1 0 322.478 2.278 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(Cc3cnn4ccccc34)CC2)CCO1 ZINC000179345983 402586348 /nfs/dbraw/zinc/58/63/48/402586348.db2.gz GFHFSRZLLGVQIW-HNNXBMFYSA-N 1 0 314.433 2.019 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000171425946 402586460 /nfs/dbraw/zinc/58/64/60/402586460.db2.gz ZRGMYMQBYJOAIW-ZIAGYGMSSA-N 1 0 307.438 2.269 10 0 DEAERO CC[C@H]1CN(C(=O)[C@H](C)COC)CC[N@@H+]1Cc1ccccc1 ZINC000248425919 402590350 /nfs/dbraw/zinc/59/03/50/402590350.db2.gz KAFKZQNKGVPLCU-WBVHZDCISA-N 1 0 304.434 2.392 10 0 DEAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccccc2OCC(=O)OC)C1 ZINC000248510408 402593674 /nfs/dbraw/zinc/59/36/74/402593674.db2.gz ZTWPGGCGSOVHDF-HUUCEWRRSA-N 1 0 320.433 2.373 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)c2ncc(C)s2)C1 ZINC000248543091 402595125 /nfs/dbraw/zinc/59/51/25/402595125.db2.gz CHXBSWCAERPEIA-WCQYABFASA-N 1 0 310.467 2.339 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2nc(C(C)C)no2)C[C@H]1CC ZINC000171574335 402596135 /nfs/dbraw/zinc/59/61/35/402596135.db2.gz MQOHAKSNWFNPNZ-CQSZACIVSA-N 1 0 310.442 2.126 10 0 DEAERO Cc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cnn1Cc1ccccc1 ZINC000248591335 402597650 /nfs/dbraw/zinc/59/76/50/402597650.db2.gz HEPPIMXAWUQXQE-RYQLBKOJSA-N 1 0 324.428 2.049 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)C2CCCCC2)C[C@@H]1C ZINC000248605299 402598310 /nfs/dbraw/zinc/59/83/10/402598310.db2.gz JVIKZXZZQCGMQV-KKUMJFAQSA-N 1 0 311.470 2.052 10 0 DEAERO Cc1cc[nH]c(=O)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000180836790 402627444 /nfs/dbraw/zinc/62/74/44/402627444.db2.gz VWICREJPAQZYEA-KGLIPLIRSA-N 1 0 303.406 2.183 10 0 DEAERO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCCOC2)c1 ZINC000171602908 402600188 /nfs/dbraw/zinc/60/01/88/402600188.db2.gz RSUUFVBGFBNSJV-MRXNPFEDSA-N 1 0 305.422 2.117 10 0 DEAERO CCOc1ccc(OCC[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171615622 402601984 /nfs/dbraw/zinc/60/19/84/402601984.db2.gz UKOBFJBUMUSFLH-HNNXBMFYSA-N 1 0 316.405 2.393 10 0 DEAERO CC(C)n1cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000171841722 402627731 /nfs/dbraw/zinc/62/77/31/402627731.db2.gz IVUSETKULXPOJC-OAHLLOKOSA-N 1 0 300.410 2.013 10 0 DEAERO CCc1cccc(C)c1NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171639432 402604435 /nfs/dbraw/zinc/60/44/35/402604435.db2.gz XIEBASVXRFKUJQ-MRXNPFEDSA-N 1 0 301.434 2.276 10 0 DEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cccc4nccn43)C2)n1 ZINC000180120562 402607773 /nfs/dbraw/zinc/60/77/73/402607773.db2.gz ACSSTYYHFKEZJD-MRXNPFEDSA-N 1 0 324.432 2.455 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(NC=O)cc2)[C@@H]1c1ccccc1 ZINC000180120547 402607792 /nfs/dbraw/zinc/60/77/92/402607792.db2.gz JOTUAVSWHCGFET-ROUUACIJSA-N 1 0 323.396 2.430 10 0 DEAERO O=C(N[C@@H]1CCCOC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171678182 402608938 /nfs/dbraw/zinc/60/89/38/402608938.db2.gz CCJRHTAWUHJFAJ-DLBZAZTESA-N 1 0 302.418 2.194 10 0 DEAERO CSC[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190604572 402613054 /nfs/dbraw/zinc/61/30/54/402613054.db2.gz XLOYVIYGNNMHQE-GDBMZVCRSA-N 1 0 321.490 2.361 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccc(F)cc2)CC1 ZINC000171843536 402628160 /nfs/dbraw/zinc/62/81/60/402628160.db2.gz KZVCCYGUZMUSMB-CYBMUJFWSA-N 1 0 323.412 2.382 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3c(O)cccc32)C1 ZINC000248920583 402614483 /nfs/dbraw/zinc/61/44/83/402614483.db2.gz WDFJXZZMEPHUPL-BBRMVZONSA-N 1 0 302.418 2.413 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000180853700 402628187 /nfs/dbraw/zinc/62/81/87/402628187.db2.gz UJMQPHREENIIPO-CQSZACIVSA-N 1 0 308.813 2.115 10 0 DEAERO CCC(CC)NC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171757254 402618988 /nfs/dbraw/zinc/61/89/88/402618988.db2.gz MLAGUIGSTCABQE-UHFFFAOYSA-N 1 0 321.469 2.178 10 0 DEAERO CCc1nnc(C2CC[NH+]([C@@H]3Cc4ccccc4[C@H]3O)CC2)[nH]1 ZINC000190710816 402619759 /nfs/dbraw/zinc/61/97/59/402619759.db2.gz RBLKBQXBMPMPJR-NVXWUHKLSA-N 1 0 312.417 2.205 10 0 DEAERO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000249121603 402621313 /nfs/dbraw/zinc/62/13/13/402621313.db2.gz WZRYTEQEBGFYPJ-IIAWOOMASA-N 1 0 323.481 2.060 10 0 DEAERO COc1cccc(Cl)c1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190766549 402622271 /nfs/dbraw/zinc/62/22/71/402622271.db2.gz NPLGXTNDEALEOR-GFCCVEGCSA-N 1 0 323.824 2.338 10 0 DEAERO O=C1C[C@H](c2ccccc2)[N@H+](C[C@@H](O)C2CCCCC2)CCN1 ZINC000249152324 402622475 /nfs/dbraw/zinc/62/24/75/402622475.db2.gz XYPNBXJHFGJJPW-QZTJIDSGSA-N 1 0 316.445 2.491 10 0 DEAERO COC[C@@H]([NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1)C1CC1 ZINC000180654789 402622576 /nfs/dbraw/zinc/62/25/76/402622576.db2.gz VMEVOAQKFQOIIW-CVEARBPZSA-N 1 0 324.490 2.444 10 0 DEAERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2cc[nH]n2)CC1 ZINC000190831615 402625530 /nfs/dbraw/zinc/62/55/30/402625530.db2.gz RRAYFLWMBRPQRV-UHFFFAOYSA-N 1 0 322.453 2.038 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000249440290 402629628 /nfs/dbraw/zinc/62/96/28/402629628.db2.gz LYVCNYZMNLMPPX-GOEBONIOSA-N 1 0 304.434 2.303 10 0 DEAERO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)C[C@H](O)CC1CCCC1 ZINC000190902748 402630559 /nfs/dbraw/zinc/63/05/59/402630559.db2.gz SEGANJZYKBCTOV-RHSMWYFYSA-N 1 0 304.434 2.476 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H]1c1ccccc1 ZINC000190902309 402630662 /nfs/dbraw/zinc/63/06/62/402630662.db2.gz FGXXDBHHGGLJDC-WBVHZDCISA-N 1 0 310.401 2.462 10 0 DEAERO C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N(C)c1ccccc1 ZINC000171900889 402632412 /nfs/dbraw/zinc/63/24/12/402632412.db2.gz AJBZHONDXWZRAQ-NVXWUHKLSA-N 1 0 316.449 2.001 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cnn([C@H](C)C3CC3)c2)C1 ZINC000249522748 402632773 /nfs/dbraw/zinc/63/27/73/402632773.db2.gz WJQMRUUFMVHCKI-OCCSQVGLSA-N 1 0 305.426 2.460 10 0 DEAERO Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000249559828 402634729 /nfs/dbraw/zinc/63/47/29/402634729.db2.gz LGXNJQREKCADCT-LESCRADOSA-N 1 0 307.434 2.218 10 0 DEAERO Cn1c(CN2CC[NH+](C3CCCC3)CC2)nnc1C1CCC1 ZINC000181088058 402634841 /nfs/dbraw/zinc/63/48/41/402634841.db2.gz QKZDIGTXDJSPIF-UHFFFAOYSA-N 1 0 303.454 2.143 10 0 DEAERO CC[C@@]1(CO)CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000249580305 402635344 /nfs/dbraw/zinc/63/53/44/402635344.db2.gz QUMQKAIIGHBBHR-QZTJIDSGSA-N 1 0 307.434 2.049 10 0 DEAERO C[N@H+](Cc1csc(Br)c1)C1(CO)CCOCC1 ZINC000191012803 402636521 /nfs/dbraw/zinc/63/65/21/402636521.db2.gz WDPYXSGUEIIKAW-UHFFFAOYSA-N 1 0 320.252 2.484 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249527091 402633205 /nfs/dbraw/zinc/63/32/05/402633205.db2.gz YUDZJEXFCDOMHA-HRCADAONSA-N 1 0 322.474 2.157 10 0 DEAERO Cc1n[nH]c(C)c1CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000172095682 402640290 /nfs/dbraw/zinc/64/02/90/402640290.db2.gz SJSSRRGDQBCYKW-UHFFFAOYSA-N 1 0 318.396 2.086 10 0 DEAERO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000249758054 402640524 /nfs/dbraw/zinc/64/05/24/402640524.db2.gz IZHWIROXYRSIHQ-AIANPOQGSA-N 1 0 311.470 2.364 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)OC[C@H]1CCCCO1 ZINC000249809087 402642417 /nfs/dbraw/zinc/64/24/17/402642417.db2.gz HFRLDXHXHXIIFG-ARFHVFGLSA-N 1 0 314.470 2.053 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000191139631 402644844 /nfs/dbraw/zinc/64/48/44/402644844.db2.gz CPUVRFPMZRENCQ-YOEHRIQHSA-N 1 0 320.433 2.058 10 0 DEAERO C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)C1 ZINC000251687236 402648912 /nfs/dbraw/zinc/64/89/12/402648912.db2.gz ONIUKKUFJMMNJC-VVLHAWIVSA-N 1 0 318.465 2.461 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000191205793 402651055 /nfs/dbraw/zinc/65/10/55/402651055.db2.gz WVQRAVYAENDOTJ-NSHDSACASA-N 1 0 304.442 2.104 10 0 DEAERO CO[C@H]1C[N@H+](CC(=O)N(Cc2ccc(C)o2)C2CC2)CC[C@H]1C ZINC000251940187 402651241 /nfs/dbraw/zinc/65/12/41/402651241.db2.gz UPAJNFXTWUMAOE-DYVFJYSZSA-N 1 0 320.433 2.436 10 0 DEAERO Cc1ccccc1NC(=O)[C@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346774 402651482 /nfs/dbraw/zinc/65/14/82/402651482.db2.gz JMEVPXKGWOMQHW-HNNXBMFYSA-N 1 0 301.434 2.492 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC[N@@H+](C2CC2)CC1 ZINC000172345986 402651552 /nfs/dbraw/zinc/65/15/52/402651552.db2.gz XACSCHBKUGQVOB-LBPRGKRZSA-N 1 0 323.387 2.462 10 0 DEAERO CCc1ccc(NC(=O)CN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000172348143 402651761 /nfs/dbraw/zinc/65/17/61/402651761.db2.gz ZYGBLUWBNXLLKF-UHFFFAOYSA-N 1 0 301.434 2.358 10 0 DEAERO c1coc(-c2nc(CN3CC[C@H](N4CCOCC4)C3)cs2)c1 ZINC000173951183 402721032 /nfs/dbraw/zinc/72/10/32/402721032.db2.gz FXCLLAWQPCFTQB-AWEZNQCLSA-N 1 0 319.430 2.310 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192027189 402706868 /nfs/dbraw/zinc/70/68/68/402706868.db2.gz LOMKUCDRMGTYJP-SJLPKXTDSA-N 1 0 306.450 2.150 10 0 DEAERO COC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000182663290 402707083 /nfs/dbraw/zinc/70/70/83/402707083.db2.gz CKTICUWHFVIDTG-CVEARBPZSA-N 1 0 315.417 2.263 10 0 DEAERO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)CC[C@@H](C)O)cc1 ZINC000173826236 402714771 /nfs/dbraw/zinc/71/47/71/402714771.db2.gz PPWDJYVKCCVRBE-RHSMWYFYSA-N 1 0 320.433 2.061 10 0 DEAERO COc1cccc(F)c1[C@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000173915377 402718471 /nfs/dbraw/zinc/71/84/71/402718471.db2.gz AFUHQCVHXBPHEJ-RYUDHWBXSA-N 1 0 309.385 2.241 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000253350779 402662584 /nfs/dbraw/zinc/66/25/84/402662584.db2.gz BHBCCCAPUNIXBT-FSDCSDTHSA-N 1 0 306.450 2.277 10 0 DEAERO CC(C)c1nnc(CN2CCC[N@@H+](C3CCCC3)CC2)n1C ZINC000172579213 402663806 /nfs/dbraw/zinc/66/38/06/402663806.db2.gz MGGDIHPOPKNXTL-UHFFFAOYSA-N 1 0 305.470 2.389 10 0 DEAERO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC2CCCC2)CC1 ZINC000173914929 402718947 /nfs/dbraw/zinc/71/89/47/402718947.db2.gz YHNNIIMASXJXIV-MRXNPFEDSA-N 1 0 324.513 2.140 10 0 DEAERO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C1([NH3+])CCOCC1 ZINC000261849491 402718951 /nfs/dbraw/zinc/71/89/51/402718951.db2.gz MEYBBIOTEFMYAX-TZMCWYRMSA-N 1 0 306.381 2.038 10 0 DEAERO CCc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)cc(=O)[nH]1 ZINC000253558358 402668927 /nfs/dbraw/zinc/66/89/27/402668927.db2.gz JBRBRXWYOUKUJY-HUUCEWRRSA-N 1 0 303.406 2.048 10 0 DEAERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182274842 402678270 /nfs/dbraw/zinc/67/82/70/402678270.db2.gz WEVTVQVNWZQAIJ-MRXNPFEDSA-N 1 0 317.437 2.273 10 0 DEAERO CC1(C[NH2+]Cc2cnn(Cc3ccccc3)c2)OCCCO1 ZINC000192253393 402719809 /nfs/dbraw/zinc/71/98/09/402719809.db2.gz JLGWGTOWICSKJC-UHFFFAOYSA-N 1 0 301.390 2.174 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccoc3)C2=O)n(C)n1 ZINC000182341699 402682244 /nfs/dbraw/zinc/68/22/44/402682244.db2.gz UTUJXHOXDNDFKE-JSGCOSHPSA-N 1 0 302.378 2.168 10 0 DEAERO C[NH+](C)C1(CNC(=O)NC/C=C\c2ccccc2)CCOCC1 ZINC000255436406 402687802 /nfs/dbraw/zinc/68/78/02/402687802.db2.gz BYTWZYKRTDRNEL-TWGQIWQCSA-N 1 0 317.433 2.110 10 0 DEAERO Cc1ccccc1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000173272543 402690105 /nfs/dbraw/zinc/69/01/05/402690105.db2.gz DQXMXMQKGOSGRR-QGZVFWFLSA-N 1 0 315.461 2.237 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000173268082 402690145 /nfs/dbraw/zinc/69/01/45/402690145.db2.gz MPYVYUDEBYZEBN-SWLSCSKDSA-N 1 0 314.426 2.070 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000173268100 402690237 /nfs/dbraw/zinc/69/02/37/402690237.db2.gz MPYVYUDEBYZEBN-DOMZBBRYSA-N 1 0 314.426 2.070 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)CC2CCCCC2)CC[N@@H+]1C ZINC000173276814 402690655 /nfs/dbraw/zinc/69/06/55/402690655.db2.gz KTICVGNZJXQAOL-HIFRSBDPSA-N 1 0 302.484 2.311 10 0 DEAERO Cc1ncc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)s1 ZINC000191774358 402691189 /nfs/dbraw/zinc/69/11/89/402691189.db2.gz BSJGKKGQMNUJSO-HNNXBMFYSA-N 1 0 319.405 2.481 10 0 DEAERO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@H](C)C(C)C)C1=O ZINC000174054913 402725391 /nfs/dbraw/zinc/72/53/91/402725391.db2.gz WOJDHWVMZFALAP-PWSUYJOCSA-N 1 0 310.419 2.274 10 0 DEAERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000182921147 402727426 /nfs/dbraw/zinc/72/74/26/402727426.db2.gz LNZTUOOFDLUHGM-DYVFJYSZSA-N 1 0 314.385 2.345 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(O)cc2O)[C@@H]1c1ccccc1 ZINC000182941675 402728166 /nfs/dbraw/zinc/72/81/66/402728166.db2.gz BNXDMQMWDXVTRA-WBVHZDCISA-N 1 0 312.369 2.273 10 0 DEAERO C[C@@H](OC[C@@H]1CCCCO1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174221220 402732303 /nfs/dbraw/zinc/73/23/03/402732303.db2.gz QIVKQRQQJOKGCR-ZCRFILTFSA-N 1 0 324.465 2.092 10 0 DEAERO CCc1ccc([C@H](COC)NC(=O)N[C@@H]2CCC[N@@H+](CC)C2)o1 ZINC000174236525 402733220 /nfs/dbraw/zinc/73/32/20/402733220.db2.gz SPWVCAUDILRVDZ-HIFRSBDPSA-N 1 0 323.437 2.313 10 0 DEAERO Cn1c2ccc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)cc2sc1=O ZINC000192560400 402737016 /nfs/dbraw/zinc/73/70/16/402737016.db2.gz GXLBKDJPBOKNPE-CYBMUJFWSA-N 1 0 305.447 2.031 10 0 DEAERO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)[C@H]1CCCO1 ZINC000183114592 402740152 /nfs/dbraw/zinc/74/01/52/402740152.db2.gz MTHKOMXLSMRGMF-XCRHUMRWSA-N 1 0 302.418 2.411 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1COc2ccccc21 ZINC000174440788 402741051 /nfs/dbraw/zinc/74/10/51/402741051.db2.gz CVFPFBCBCATARX-IIAWOOMASA-N 1 0 315.417 2.388 10 0 DEAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c(OC)c1 ZINC000183134339 402741513 /nfs/dbraw/zinc/74/15/13/402741513.db2.gz LTOUPDPTJYLVFW-SLEUVZQESA-N 1 0 322.405 2.188 10 0 DEAERO CC(C)Cn1cc(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cn1 ZINC000183133930 402741571 /nfs/dbraw/zinc/74/15/71/402741571.db2.gz WBFVNOMKYBMYQP-MRXNPFEDSA-N 1 0 320.481 2.224 10 0 DEAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)NC(=O)Nc1ccccc1F ZINC000183142820 402742820 /nfs/dbraw/zinc/74/28/20/402742820.db2.gz RUIPODJCICPMRU-COPLHBTASA-N 1 0 323.368 2.019 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183189593 402745413 /nfs/dbraw/zinc/74/54/13/402745413.db2.gz XHSYFUJWTXUWHP-YDHLFZDLSA-N 1 0 306.406 2.030 10 0 DEAERO Cc1cnc([C@@H](C)CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000183189889 402745846 /nfs/dbraw/zinc/74/58/46/402745846.db2.gz ONXFQJTZTSJOQD-GXTWGEPZSA-N 1 0 322.478 2.435 10 0 DEAERO CC[C@@H]1CN(C(=O)c2ccc(C)c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174612941 402748434 /nfs/dbraw/zinc/74/84/34/402748434.db2.gz QOFYEDWCWUGMJB-UKRRQHHQSA-N 1 0 308.397 2.051 10 0 DEAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000263244331 402749419 /nfs/dbraw/zinc/74/94/19/402749419.db2.gz CSOVHGZIMSOASL-CYBMUJFWSA-N 1 0 323.396 2.336 10 0 DEAERO CC[NH+](CC)CCSCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000174681767 402751733 /nfs/dbraw/zinc/75/17/33/402751733.db2.gz AIWQWYJCINZKBE-LSDHHAIUSA-N 1 0 314.495 2.231 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000263274266 402753324 /nfs/dbraw/zinc/75/33/24/402753324.db2.gz SQBHEBUKYLWXPI-GMTAPVOTSA-N 1 0 318.343 2.482 10 0 DEAERO Cc1ccc(CCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000174843636 402759879 /nfs/dbraw/zinc/75/98/79/402759879.db2.gz JDDIWWCUWYQTFC-ZBFHGGJFSA-N 1 0 304.438 2.057 10 0 DEAERO CCc1nc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cs1 ZINC000174847749 402760111 /nfs/dbraw/zinc/76/01/11/402760111.db2.gz QOCGHIOLTHHKMW-STQMWFEESA-N 1 0 320.462 2.422 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNc1ccccc1OC ZINC000175023873 402772017 /nfs/dbraw/zinc/77/20/17/402772017.db2.gz AOTIOYFYSPEEOB-HUUCEWRRSA-N 1 0 317.433 2.192 10 0 DEAERO O=C(NCCOC1CCCCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175056828 402775215 /nfs/dbraw/zinc/77/52/15/402775215.db2.gz KYAKFUHIEIYCKI-MRXNPFEDSA-N 1 0 321.465 2.382 10 0 DEAERO CCc1ccc(CCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000175071034 402776454 /nfs/dbraw/zinc/77/64/54/402776454.db2.gz YQXANLUZFOCTQJ-GOSISDBHSA-N 1 0 313.445 2.447 10 0 DEAERO CN(C)c1ncccc1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000193927937 402778839 /nfs/dbraw/zinc/77/88/39/402778839.db2.gz DXTQJOHPQIXZAL-UHFFFAOYSA-N 1 0 312.417 2.139 10 0 DEAERO COC(=O)c1ccsc1N1CC[C@@H]([NH2+][C@H](C)C(C)C)C1=O ZINC000174054890 402724844 /nfs/dbraw/zinc/72/48/44/402724844.db2.gz WOJDHWVMZFALAP-ZYHUDNBSSA-N 1 0 310.419 2.274 10 0 DEAERO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000175252451 402791900 /nfs/dbraw/zinc/79/19/00/402791900.db2.gz XLVVJOXSZNCLJO-HUUCEWRRSA-N 1 0 304.438 2.071 10 0 DEAERO C[NH+](C)CC(C)(C)CNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000194330869 402792658 /nfs/dbraw/zinc/79/26/58/402792658.db2.gz CVOJEAADNRBGAD-UHFFFAOYSA-N 1 0 320.433 2.094 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000194353541 402793336 /nfs/dbraw/zinc/79/33/36/402793336.db2.gz MWBKSMVEJMAIKJ-ZBFHGGJFSA-N 1 0 322.424 2.389 10 0 DEAERO CC[C@H]1CN(CCC(=O)NC(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000183747994 402794362 /nfs/dbraw/zinc/79/43/62/402794362.db2.gz MWZLLGKVSOJDIQ-SFHVURJKSA-N 1 0 317.477 2.498 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2nc(SC)n3ccccc23)C1 ZINC000194401150 402795763 /nfs/dbraw/zinc/79/57/63/402795763.db2.gz UXMWZYHCMKKBKM-LBPRGKRZSA-N 1 0 318.446 2.270 10 0 DEAERO CCOC(=O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000194439011 402797511 /nfs/dbraw/zinc/79/75/11/402797511.db2.gz HXNDLGPPWGAYBX-ALOPSCKCSA-N 1 0 302.418 2.335 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(C)Cc1cccs1 ZINC000175354177 402799494 /nfs/dbraw/zinc/79/94/94/402799494.db2.gz PBAPHMGAMUTJNP-AWEZNQCLSA-N 1 0 309.479 2.123 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000175390790 402802334 /nfs/dbraw/zinc/80/23/34/402802334.db2.gz ASCHPHXCQUMNOU-ZDUSSCGKSA-N 1 0 318.389 2.070 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ncccc1O ZINC000194646978 402807944 /nfs/dbraw/zinc/80/79/44/402807944.db2.gz WRIFOAPXTPSNPX-UHFFFAOYSA-N 1 0 311.385 2.313 10 0 DEAERO CC(C)[C@H](O)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194740171 402813609 /nfs/dbraw/zinc/81/36/09/402813609.db2.gz YLGMRYGUIQJMHY-DLBZAZTESA-N 1 0 304.434 2.032 10 0 DEAERO Cc1ccc([C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CCO2)o1 ZINC000184112049 402819571 /nfs/dbraw/zinc/81/95/71/402819571.db2.gz ZNKRGJFUVYMECC-MRXNPFEDSA-N 1 0 315.373 2.263 10 0 DEAERO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000194878914 402820654 /nfs/dbraw/zinc/82/06/54/402820654.db2.gz ASYGUDOANWNNEW-YOEHRIQHSA-N 1 0 315.454 2.074 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000194894734 402821437 /nfs/dbraw/zinc/82/14/37/402821437.db2.gz AVYYHTPMMGXLLG-CJNGLKHVSA-N 1 0 318.421 2.094 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ncccc1Br ZINC000194902324 402821873 /nfs/dbraw/zinc/82/18/73/402821873.db2.gz UVLPXNXZUVDRTA-GHMZBOCLSA-N 1 0 324.222 2.153 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)NCC(C)(C)C[NH+](C)C)s1 ZINC000175791987 402832795 /nfs/dbraw/zinc/83/27/95/402832795.db2.gz OWGXTLJBKKKFFR-NSHDSACASA-N 1 0 313.467 2.477 10 0 DEAERO C[C@H](CNC(=O)N[C@@H]1COc2ccccc21)C[NH+]1CCCC1 ZINC000195196454 402835786 /nfs/dbraw/zinc/83/57/86/402835786.db2.gz HXPLWYPGQIWCKS-UKRRQHHQSA-N 1 0 303.406 2.151 10 0 DEAERO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175205923 402788088 /nfs/dbraw/zinc/78/80/88/402788088.db2.gz JREROTMUKGNMJC-NVXWUHKLSA-N 1 0 317.433 2.192 10 0 DEAERO CC(C)c1nnc(CN2CCC(C[NH+]3CCCC3)CC2)n1C ZINC000195431419 402845327 /nfs/dbraw/zinc/84/53/27/402845327.db2.gz ACAHMUGCZUMDNV-UHFFFAOYSA-N 1 0 305.470 2.246 10 0 DEAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC000176005505 402847191 /nfs/dbraw/zinc/84/71/91/402847191.db2.gz TXIYZVDLQYDWTR-HNNXBMFYSA-N 1 0 321.509 2.297 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000176004982 402847383 /nfs/dbraw/zinc/84/73/83/402847383.db2.gz AKLMZVIBFXVDAK-KBPBESRZSA-N 1 0 305.422 2.424 10 0 DEAERO CC(C)C[C@H](C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000184527172 402849398 /nfs/dbraw/zinc/84/93/98/402849398.db2.gz VRWISZCQLNFQIL-HNNXBMFYSA-N 1 0 318.465 2.132 10 0 DEAERO CC(=O)N(C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000276339549 403165542 /nfs/dbraw/zinc/16/55/42/403165542.db2.gz HBVVFFODJDKDDQ-QZTJIDSGSA-N 1 0 320.408 2.334 10 0 DEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000282276359 403138919 /nfs/dbraw/zinc/13/89/19/403138919.db2.gz HXHRCPURYSTKDR-QPUJVOFHSA-N 1 0 315.186 2.345 10 0 DEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000282361478 403146758 /nfs/dbraw/zinc/14/67/58/403146758.db2.gz NHVRDBYZWMLTTP-XCBNKYQSSA-N 1 0 303.225 2.267 10 0 DEAERO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cn[nH]c1 ZINC000270371006 403185009 /nfs/dbraw/zinc/18/50/09/403185009.db2.gz TYQMHRSDHPWREZ-HIFRSBDPSA-N 1 0 305.426 2.131 10 0 DEAERO C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000293725524 403549064 /nfs/dbraw/zinc/54/90/64/403549064.db2.gz PVXJKMWPWJMJSH-VIFPVBQESA-N 1 0 304.362 2.030 10 0 DEAERO CSc1nc2ncnc(N3CC[N@@H+]4CCCC[C@H]4C3)c2s1 ZINC000301233161 403603879 /nfs/dbraw/zinc/60/38/79/403603879.db2.gz KHXBALJBHZRZFZ-JTQLQIEISA-N 1 0 321.475 2.483 10 0 DEAERO Cc1nc2ccccc2nc1NC[C@@H](c1cnn(C)c1)[NH+](C)C ZINC000301269542 403609260 /nfs/dbraw/zinc/60/92/60/403609260.db2.gz GNAUVPLIVHFWEN-INIZCTEOSA-N 1 0 310.405 2.387 10 0 DEAERO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333116549 403669073 /nfs/dbraw/zinc/66/90/73/403669073.db2.gz YVKHXOOUHCCTNR-ZIAGYGMSSA-N 1 0 319.453 2.164 10 0 DEAERO CC1(C)Cc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)c(O)c2O1 ZINC000333116722 403669477 /nfs/dbraw/zinc/66/94/77/403669477.db2.gz YXYILYAYWXUHSC-LBPRGKRZSA-N 1 0 316.401 2.072 10 0 DEAERO CCC1(CC)[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@@H]1OC ZINC000333128742 403672895 /nfs/dbraw/zinc/67/28/95/403672895.db2.gz BKSRSVZGGGJQBW-GJZGRUSLSA-N 1 0 323.481 2.365 10 0 DEAERO Cc1nn(C)c2cc(NC(=O)N(C)[C@H]3CCC[NH2+]CC3)ccc12 ZINC000333252264 403707114 /nfs/dbraw/zinc/70/71/14/403707114.db2.gz CPYDBYUAEYUNFN-AWEZNQCLSA-N 1 0 315.421 2.488 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000304067158 403766527 /nfs/dbraw/zinc/76/65/27/403766527.db2.gz UGEPZXNDPJPOTR-OAHLLOKOSA-N 1 0 304.434 2.128 10 0 DEAERO c1ccc(-c2nnc3ccc(N4CC[NH+]5CCC4CC5)nn32)cc1 ZINC000302764436 403722999 /nfs/dbraw/zinc/72/29/99/403722999.db2.gz LBMGLFYQNPABDT-UHFFFAOYSA-N 1 0 320.400 2.076 10 0 DEAERO Cc1cc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)cn2ccnc12 ZINC000333356356 403732346 /nfs/dbraw/zinc/73/23/46/403732346.db2.gz SBUMOEATNLLHKD-UHFFFAOYSA-N 1 0 313.405 2.250 10 0 DEAERO Cc1csc([C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)C2CC2)n1 ZINC000333388191 403740411 /nfs/dbraw/zinc/74/04/11/403740411.db2.gz OKBYMTNXLPTVAQ-QWHCGFSZSA-N 1 0 308.451 2.344 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC000333468681 403758856 /nfs/dbraw/zinc/75/88/56/403758856.db2.gz AMLJFQYNKIWNSI-JKSUJKDBSA-N 1 0 321.396 2.051 10 0 DEAERO C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000333721818 403831237 /nfs/dbraw/zinc/83/12/37/403831237.db2.gz UTPKBZMZYRJOEN-WQVCFCJDSA-N 1 0 321.396 2.049 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000333588054 403786187 /nfs/dbraw/zinc/78/61/87/403786187.db2.gz ASVKSBSYJLHLGP-QMTHXVAHSA-N 1 0 323.824 2.072 10 0 DEAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1nc(C2CCCC2)ns1 ZINC000333635464 403799267 /nfs/dbraw/zinc/79/92/67/403799267.db2.gz BLOMCPFQPGSHGW-DGCLKSJQSA-N 1 0 310.467 2.087 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cnc(C)s2)C[C@@H]1C ZINC000361766916 403853215 /nfs/dbraw/zinc/85/32/15/403853215.db2.gz ALPPVAAXUYYNKI-WCQYABFASA-N 1 0 310.467 2.466 10 0 DEAERO C[C@@H]1COc2ccccc2CN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333860940 403889185 /nfs/dbraw/zinc/88/91/85/403889185.db2.gz SBHHHIBCAVYCHM-HIFRSBDPSA-N 1 0 303.406 2.121 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)O)C1 ZINC000309904261 403963866 /nfs/dbraw/zinc/96/38/66/403963866.db2.gz PUIHVIJYCQJABJ-CYBMUJFWSA-N 1 0 300.443 2.384 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305676076 403909740 /nfs/dbraw/zinc/90/97/40/403909740.db2.gz ZYHGCCHTMRFKSZ-DOTOQJQBSA-N 1 0 304.434 2.128 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cn(C)nc2C)C12CCOCC2 ZINC000249039262 286402548 /nfs/dbraw/zinc/40/25/48/286402548.db2.gz UTLRUBNYHOLKCU-UHOFOFEASA-N 1 0 307.438 2.353 10 0 DEAERO [NH3+]C[C@@H]1CN(Cc2ccc(Br)c(F)c2)CCCO1 ZINC000313341704 403983064 /nfs/dbraw/zinc/98/30/64/403983064.db2.gz FSTOPFPBXGDYOA-LLVKDONJSA-N 1 0 317.202 2.138 10 0 DEAERO CCNC(=O)[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000348062504 404026743 /nfs/dbraw/zinc/02/67/43/404026743.db2.gz KLNCWIJMSQVDAL-CCNLRDMRSA-N 1 0 315.461 2.296 10 0 DEAERO Cc1sc2nc(CN3C[C@@H](C)[C@H]([NH+](C)C)C3)nc(N)c2c1C ZINC000317572967 404038913 /nfs/dbraw/zinc/03/89/13/404038913.db2.gz MAYSADQRVRHEHW-BXKDBHETSA-N 1 0 319.478 2.272 10 0 DEAERO Cc1noc([C@H]2C[C@H](O)C[N@@H+]2C[C@H]2CCc3ccccc3C2)n1 ZINC000328624476 404117747 /nfs/dbraw/zinc/11/77/47/404117747.db2.gz JYPKVFZBMRUEHG-RRQGHBQHSA-N 1 0 313.401 2.291 10 0 DEAERO C[C@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCCCO1 ZINC000369856377 404251084 /nfs/dbraw/zinc/25/10/84/404251084.db2.gz NCFVBVCKCNYMDS-LBDPXKHJSA-N 1 0 309.454 2.260 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000329295690 404292280 /nfs/dbraw/zinc/29/22/80/404292280.db2.gz SOBCQKFBMRPOOA-CABCVRRESA-N 1 0 309.454 2.323 10 0 DEAERO c1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c2c(c1)OCCCO2 ZINC000356293990 404429822 /nfs/dbraw/zinc/42/98/22/404429822.db2.gz XZXZNKNXAMCRER-CRAIPNDOSA-N 1 0 319.401 2.276 10 0 DEAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1coc(Br)c1 ZINC000373934558 404646059 /nfs/dbraw/zinc/64/60/59/404646059.db2.gz AZEASVJXGQEUGZ-QWRGUYRKSA-N 1 0 313.195 2.399 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000373981297 404660631 /nfs/dbraw/zinc/66/06/31/404660631.db2.gz HDCATGKMVRFEFA-ZDUSSCGKSA-N 1 0 305.426 2.246 10 0 DEAERO Brc1cnn(CC[NH2+]Cc2ccc3c[nH]nc3c2)c1 ZINC000353082458 404738775 /nfs/dbraw/zinc/73/87/75/404738775.db2.gz DSAMTWBVTZYNKS-UHFFFAOYSA-N 1 0 320.194 2.312 10 0 DEAERO CCOC(=O)[C@]1(C(C)C)CCN(Cc2cn(C(C)(C)C)nn2)C1 ZINC000365822246 404726848 /nfs/dbraw/zinc/72/68/48/404726848.db2.gz ZZBFSYUQCQPYHW-QGZVFWFLSA-N 1 0 322.453 2.444 10 0 DEAERO COC(=O)[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1CC1 ZINC000358810521 404776715 /nfs/dbraw/zinc/77/67/15/404776715.db2.gz FZVCWNRIDFRULD-IRXDYDNUSA-N 1 0 302.418 2.365 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC23CCC3)C1 ZINC000376098629 404802005 /nfs/dbraw/zinc/80/20/05/404802005.db2.gz QKUUXBAYZSZIKY-OAHLLOKOSA-N 1 0 309.454 2.071 10 0 DEAERO CC[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccccc1F ZINC000376177786 404814403 /nfs/dbraw/zinc/81/44/03/404814403.db2.gz KZXKDXIHQMBGRB-OAHLLOKOSA-N 1 0 318.400 2.059 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2SC)CC12COC2 ZINC000451138180 404877493 /nfs/dbraw/zinc/87/74/93/404877493.db2.gz QDRFTTZCIRFVIZ-AWEZNQCLSA-N 1 0 321.442 2.420 10 0 DEAERO C[C@@H]1CN(C(=O)c2occc2Br)C[C@@]1(C)C[NH3+] ZINC000423982465 404959080 /nfs/dbraw/zinc/95/90/80/404959080.db2.gz JJSMLSNXMLQEOH-PRHODGIISA-N 1 0 301.184 2.099 10 0 DEAERO C[C@H](Cc1ccc(O)cc1)NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000361124567 404932252 /nfs/dbraw/zinc/93/22/52/404932252.db2.gz QFFNKMQPMXNTKR-FRFSOERESA-N 1 0 317.433 2.059 10 0 DEAERO C[C@@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C[C@H]1[NH3+] ZINC000423942029 404938118 /nfs/dbraw/zinc/93/81/18/404938118.db2.gz FGEQBWMHEANUEH-PRHODGIISA-N 1 0 303.189 2.178 10 0 DEAERO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@](C)(O)c1ccccc1 ZINC000378561952 405001763 /nfs/dbraw/zinc/00/17/63/405001763.db2.gz JBPJIHPOSIIAHI-LMMKCTJWSA-N 1 0 316.445 2.369 10 0 DEAERO O=C(CCCCO)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000381797794 405031137 /nfs/dbraw/zinc/03/11/37/405031137.db2.gz QFQDUIYDVLYRMJ-KZNAEPCWSA-N 1 0 316.445 2.176 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(F)c2Br)C1 ZINC000389872985 405040783 /nfs/dbraw/zinc/04/07/83/405040783.db2.gz AZEZETMCMMGMHC-SECBINFHSA-N 1 0 315.186 2.412 10 0 DEAERO Cn1c2ccc(C[N@@H+]3CC[C@H](C(C)(C)C)[C@H](O)C3)cc2oc1=O ZINC000408012413 405088738 /nfs/dbraw/zinc/08/87/38/405088738.db2.gz IPKINMQXXJSETI-DZGCQCFKSA-N 1 0 318.417 2.360 10 0 DEAERO CC1CCC(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000408069958 405104578 /nfs/dbraw/zinc/10/45/78/405104578.db2.gz GSDPCFXSTDDLBJ-WUCCLRPBSA-N 1 0 302.484 2.263 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000408097823 405111189 /nfs/dbraw/zinc/11/11/89/405111189.db2.gz NYOVWBJERWLAPF-ZFWWWQNUSA-N 1 0 324.446 2.225 10 0 DEAERO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000408150879 405125280 /nfs/dbraw/zinc/12/52/80/405125280.db2.gz XXXCUEPTIKLMKW-WCVJEAGWSA-N 1 0 310.482 2.410 10 0 DEAERO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C(C)C ZINC000367804903 405158597 /nfs/dbraw/zinc/15/85/97/405158597.db2.gz XZIAQARPDJGBQL-JKSUJKDBSA-N 1 0 320.433 2.423 10 0 DEAERO CC(=O)N[C@H](C)C1CC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000408339317 405178017 /nfs/dbraw/zinc/17/80/17/405178017.db2.gz PHRANOFWNMEDPD-SOUVJXGZSA-N 1 0 323.481 2.013 10 0 DEAERO Cc1cnc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c(O)c1 ZINC000408369705 405188134 /nfs/dbraw/zinc/18/81/34/405188134.db2.gz ATBWHIYGJWQGQQ-UHFFFAOYSA-N 1 0 317.433 2.432 10 0 DEAERO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC(OC(F)F)C1 ZINC000437611309 405210438 /nfs/dbraw/zinc/21/04/38/405210438.db2.gz YHBMUVKXVGELKB-UHFFFAOYSA-N 1 0 310.344 2.346 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1C ZINC000420401678 405344425 /nfs/dbraw/zinc/34/44/25/405344425.db2.gz PPIIYZPXJRQFNA-AEGPPILISA-N 1 0 317.433 2.232 10 0 DEAERO Cc1c(C[N@@H+]2CC[C@@](O)(Cc3ccc(F)cc3)C2)cnn1C ZINC000420983686 405420822 /nfs/dbraw/zinc/42/08/22/405420822.db2.gz RFGQCEUHBWQDPX-QGZVFWFLSA-N 1 0 303.381 2.047 10 0 DEAERO CCO[C@H]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@@H]1C ZINC000454893291 405377668 /nfs/dbraw/zinc/37/76/68/405377668.db2.gz ZNJINNNCPLKCPU-OTBWCIGPSA-N 1 0 323.481 2.460 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)OCCc2ccccc2)C1 ZINC000448758858 405444777 /nfs/dbraw/zinc/44/47/77/405444777.db2.gz BLQVDAUZBXWRNG-RDJZCZTQSA-N 1 0 304.434 2.092 10 0 DEAERO CCOc1ncc(C)cc1NC(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000455724263 405446323 /nfs/dbraw/zinc/44/63/23/405446323.db2.gz RFUJPRTYTFABLE-CYBMUJFWSA-N 1 0 306.410 2.252 10 0 DEAERO CO[C@@]1(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CCOC1 ZINC000638449389 405476458 /nfs/dbraw/zinc/47/64/58/405476458.db2.gz PBXDMFWYMBURNQ-RBUKOAKNSA-N 1 0 318.461 2.436 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)c1ccc(Cl)cc1Cl ZINC000638586828 405558715 /nfs/dbraw/zinc/55/87/15/405558715.db2.gz ZLJYPUHPBPMDGZ-UHFFFAOYSA-N 1 0 305.205 2.301 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)Cc1c(Cl)cccc1Cl ZINC000638586477 405559175 /nfs/dbraw/zinc/55/91/75/405559175.db2.gz RCGAJVACRSSIOG-UHFFFAOYSA-N 1 0 319.232 2.230 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2C)CC12COC2 ZINC000449367542 405529677 /nfs/dbraw/zinc/52/96/77/405529677.db2.gz WYHXMNAIOLGHLY-MRXNPFEDSA-N 1 0 303.402 2.315 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@H]2c2ccccc2)CC12COC2 ZINC000449367612 405529899 /nfs/dbraw/zinc/52/98/99/405529899.db2.gz XJTRWVHQMNZUCW-ZACQAIPSSA-N 1 0 315.413 2.302 10 0 DEAERO c1c(CNCC2([NH+]3CCCC3)CCOCC2)onc1C1CC1 ZINC000638559165 405546971 /nfs/dbraw/zinc/54/69/71/405546971.db2.gz SREUQAOTMXMOLV-UHFFFAOYSA-N 1 0 305.422 2.287 10 0 DEAERO COc1nsc(C[NH2+][C@@H](C)[C@H](C)CO)c1Br ZINC000638675924 405610775 /nfs/dbraw/zinc/61/07/75/405610775.db2.gz BZAGMDGLHVCXPX-RQJHMYQMSA-N 1 0 309.229 2.021 10 0 DEAERO COc1nsc(C[NH2+]CC(C)(C)CCO)c1Br ZINC000638693703 405621515 /nfs/dbraw/zinc/62/15/15/405621515.db2.gz VTSWAWJBJGZZIP-UHFFFAOYSA-N 1 0 323.256 2.412 10 0 DEAERO Cc1cc(CCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)on1 ZINC000557811490 405629505 /nfs/dbraw/zinc/62/95/05/405629505.db2.gz COIPZUDHFQRZFE-ZDUSSCGKSA-N 1 0 322.453 2.335 10 0 DEAERO CCCc1occc1C(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000456877517 405601500 /nfs/dbraw/zinc/60/15/00/405601500.db2.gz HYPLYWUVKOAGND-UHFFFAOYSA-N 1 0 321.465 2.378 10 0 DEAERO O=C(COCc1ccccc1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638665224 405603785 /nfs/dbraw/zinc/60/37/85/405603785.db2.gz AMWRWLRWDFCLIX-UHFFFAOYSA-N 1 0 312.369 2.324 10 0 DEAERO COc1nsc(C[NH2+]CC(C)(C)CO)c1Br ZINC000638790379 405669044 /nfs/dbraw/zinc/66/90/44/405669044.db2.gz DPXFRWJBTQKBTI-UHFFFAOYSA-N 1 0 309.229 2.022 10 0 DEAERO C[C@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000638884065 405739393 /nfs/dbraw/zinc/73/93/93/405739393.db2.gz FGPNAKRZBBTPJP-UWVGGRQHSA-N 1 0 317.216 2.425 10 0 DEAERO C[C@@H]1CN(C(=O)c2csc(Br)c2)C[C@H]1C[NH3+] ZINC000638894245 405746511 /nfs/dbraw/zinc/74/65/11/405746511.db2.gz UYZGKOXLFRHBDU-VXNVDRBHSA-N 1 0 303.225 2.177 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@@H](C)[NH+]1CCCC1)CC2 ZINC000530473587 405808840 /nfs/dbraw/zinc/80/88/40/405808840.db2.gz AXBHURISBZQFAC-ZIAGYGMSSA-N 1 0 318.465 2.239 10 0 DEAERO [NH3+]CC1(NC(=O)c2occc2Br)CCCCC1 ZINC000639000105 405810113 /nfs/dbraw/zinc/81/01/13/405810113.db2.gz VPFBMUCEILRXBI-UHFFFAOYSA-N 1 0 301.184 2.434 10 0 DEAERO COc1ccc(C(=O)C[C@H](C)C(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000457257469 405769604 /nfs/dbraw/zinc/76/96/04/405769604.db2.gz ZURHJCIUZMTANM-ZDUSSCGKSA-N 1 0 320.433 2.361 10 0 DEAERO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2nnc(C)o2)cc1 ZINC000583615584 405774178 /nfs/dbraw/zinc/77/41/78/405774178.db2.gz MQJIFRXWTJBFNE-DOTOQJQBSA-N 1 0 317.389 2.259 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457525211 405881785 /nfs/dbraw/zinc/88/17/85/405881785.db2.gz OLRLQHLWQCUKEE-CYBMUJFWSA-N 1 0 306.406 2.242 10 0 DEAERO CC[C@@]1(O)CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000495226778 405847373 /nfs/dbraw/zinc/84/73/73/405847373.db2.gz DOFVHWYUKNJOST-DZGCQCFKSA-N 1 0 317.351 2.456 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000457457141 405848157 /nfs/dbraw/zinc/84/81/57/405848157.db2.gz LMJFMSKTSHFOGX-HZPDHXFCSA-N 1 0 316.401 2.138 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000457639973 405930774 /nfs/dbraw/zinc/93/07/74/405930774.db2.gz YXWZMOXIGSNNKF-WFASDCNBSA-N 1 0 316.401 2.137 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccccc1C(F)(F)F ZINC000459710804 406014343 /nfs/dbraw/zinc/01/43/43/406014343.db2.gz ZPPRNYFULFFNFD-QWRGUYRKSA-N 1 0 314.311 2.009 10 0 DEAERO CN(C(=O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000531868764 406018066 /nfs/dbraw/zinc/01/80/66/406018066.db2.gz DXSTWXSVCFBTBD-CYBMUJFWSA-N 1 0 310.438 2.051 10 0 DEAERO Cc1cnc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000639264452 406009631 /nfs/dbraw/zinc/00/96/31/406009631.db2.gz DPGBHNBJUMCYOA-UHFFFAOYSA-N 1 0 315.417 2.100 10 0 DEAERO CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000639326080 406046560 /nfs/dbraw/zinc/04/65/60/406046560.db2.gz DCEVZNQDNSEMHG-INIZCTEOSA-N 1 0 316.474 2.049 10 0 DEAERO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000532125040 406048133 /nfs/dbraw/zinc/04/81/33/406048133.db2.gz SSRXGWJMZHANGS-AWEZNQCLSA-N 1 0 310.438 2.053 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000487563532 406246855 /nfs/dbraw/zinc/24/68/55/406246855.db2.gz WMEVZTRUEARQOX-STQMWFEESA-N 1 0 314.227 2.230 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1cnc(-c2cccnc2)s1 ZINC000536429335 406258579 /nfs/dbraw/zinc/25/85/79/406258579.db2.gz GDQKNWKCZSOGKE-UHFFFAOYSA-N 1 0 304.419 2.277 10 0 DEAERO C[C@H](NC(=O)c1cccc2ncnn21)[C@@H](c1ccccc1)[NH+](C)C ZINC000545317735 406314086 /nfs/dbraw/zinc/31/40/86/406314086.db2.gz UZZCRAATBLICTP-GUYCJALGSA-N 1 0 323.400 2.151 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NC2(C[NH3+])CCCCC2)c1 ZINC000632918828 406319984 /nfs/dbraw/zinc/31/99/84/406319984.db2.gz SWAQAVDYXYZZON-UHFFFAOYSA-N 1 0 318.421 2.452 10 0 DEAERO O=C(c1ccncc1Br)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632865895 406298291 /nfs/dbraw/zinc/29/82/91/406298291.db2.gz WZBKXWYIGMWLKS-ZWNOBZJWSA-N 1 0 324.222 2.058 10 0 DEAERO c1nc([C@H]2CCCN(CC34CC(C3)C[NH2+]4)C2)n2c1CCCC2 ZINC000634994913 406390711 /nfs/dbraw/zinc/39/07/11/406390711.db2.gz POWSKKMEIXRQCH-CSLYMUCUSA-N 1 0 300.450 2.151 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@@H](C)c2nccs2)CC1 ZINC000547270364 406394664 /nfs/dbraw/zinc/39/46/64/406394664.db2.gz SQMCYMDKXVCPEH-CYBMUJFWSA-N 1 0 308.451 2.198 10 0 DEAERO CCn1nc(C)c(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1C ZINC000547290831 406396344 /nfs/dbraw/zinc/39/63/44/406396344.db2.gz NUYGOEJANNHJQA-UHFFFAOYSA-N 1 0 305.426 2.293 10 0 DEAERO CC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)C1CCOCC1 ZINC000547507896 406417837 /nfs/dbraw/zinc/41/78/37/406417837.db2.gz FXBHLNXFRQJPCK-QGZVFWFLSA-N 1 0 319.449 2.213 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000634969442 406378443 /nfs/dbraw/zinc/37/84/43/406378443.db2.gz NYZFLELIPBNNST-UONOGXRCSA-N 1 0 301.452 2.035 10 0 DEAERO [NH3+]C[C@]1(C(=O)NCc2cccc(Cl)c2Cl)CCCOC1 ZINC000637907567 406472922 /nfs/dbraw/zinc/47/29/22/406472922.db2.gz QOBZBQOUVAQPLY-CQSZACIVSA-N 1 0 317.216 2.365 10 0 DEAERO C[C@H](N(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000637930077 406482130 /nfs/dbraw/zinc/48/21/30/406482130.db2.gz SMPKFAVUQMMTBJ-GOEBONIOSA-N 1 0 305.466 2.339 10 0 DEAERO COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000525635886 406492299 /nfs/dbraw/zinc/49/22/99/406492299.db2.gz VTILYCRZLSSQQD-HNNXBMFYSA-N 1 0 324.465 2.347 10 0 DEAERO C[C@@H]1Cc2ccccc2N1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637868526 406454346 /nfs/dbraw/zinc/45/43/46/406454346.db2.gz OMMGWNQODDUFKC-CRAIPNDOSA-N 1 0 323.440 2.424 10 0 DEAERO Cc1ccc(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC000638072972 406555818 /nfs/dbraw/zinc/55/58/18/406555818.db2.gz ASLXTLKEPTZHFZ-INIZCTEOSA-N 1 0 312.417 2.096 10 0 DEAERO Cc1ccc2[nH]c(C[NH2+][C@@H](C)C3CCS(=O)(=O)CC3)nc2c1 ZINC000526988913 406565472 /nfs/dbraw/zinc/56/54/72/406565472.db2.gz WIDZOYAFRXHADV-LBPRGKRZSA-N 1 0 321.446 2.174 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000525821259 406507073 /nfs/dbraw/zinc/50/70/73/406507073.db2.gz XJKIFKZOCPTKTN-CYBMUJFWSA-N 1 0 315.421 2.155 10 0 DEAERO CC[C@H](C)C[C@H](C)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638002299 406517529 /nfs/dbraw/zinc/51/75/29/406517529.db2.gz CRTHHPYPZCKSHL-ZOBUZTSGSA-N 1 0 305.466 2.387 10 0 DEAERO COC1(CNC(=O)NCC[N@H+]2CC=C(C)CC2)CCCCC1 ZINC000548457656 406518738 /nfs/dbraw/zinc/51/87/38/406518738.db2.gz PNTZKQMNDIDNHN-UHFFFAOYSA-N 1 0 309.454 2.287 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CCCC1(C)C ZINC000638004685 406519169 /nfs/dbraw/zinc/51/91/69/406519169.db2.gz FBTJIQGOVODXMO-HZPDHXFCSA-N 1 0 303.450 2.141 10 0 DEAERO CC1CC(NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638004704 406519325 /nfs/dbraw/zinc/51/93/25/406519325.db2.gz FMAPWKXOADRHMY-UHFFFAOYSA-N 1 0 315.461 2.285 10 0 DEAERO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccn(C)n1 ZINC000549625110 406589217 /nfs/dbraw/zinc/58/92/17/406589217.db2.gz HKEFNZFSDBIYIZ-YCPHGPKFSA-N 1 0 307.438 2.029 10 0 DEAERO c1cc(CN2CCOCC2)ccc1C[NH2+]CCC1CCOCC1 ZINC000638305358 406686274 /nfs/dbraw/zinc/68/62/74/406686274.db2.gz VRXPNVQXQRJAEA-UHFFFAOYSA-N 1 0 318.461 2.425 10 0 DEAERO CCC(F)(F)C(C)(C)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000527636946 406698375 /nfs/dbraw/zinc/69/83/75/406698375.db2.gz ZQLZAZIEZDBYOY-UHFFFAOYSA-N 1 0 312.426 2.072 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2ncsc2Br)C1 ZINC000553096368 406735057 /nfs/dbraw/zinc/73/50/57/406735057.db2.gz KYRLFQUJSFOWFR-MRVPVSSYSA-N 1 0 318.240 2.072 10 0 DEAERO c1cnc(N2CCC[C@H]([NH2+]Cc3nc4ccccc4o3)C2)nc1 ZINC000638380571 406736728 /nfs/dbraw/zinc/73/67/28/406736728.db2.gz XTYXONJAAAMSTK-ZDUSSCGKSA-N 1 0 309.373 2.376 10 0 DEAERO Cc1cc(CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)on1 ZINC000553702165 406771625 /nfs/dbraw/zinc/77/16/25/406771625.db2.gz YMEJHMBVFMQXKP-UHFFFAOYSA-N 1 0 308.426 2.089 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCc2ccccc21 ZINC000638416965 406760817 /nfs/dbraw/zinc/76/08/17/406760817.db2.gz WANZJLRXNPNICM-RBUKOAKNSA-N 1 0 323.440 2.249 10 0 DEAERO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000554264186 406789914 /nfs/dbraw/zinc/78/99/14/406789914.db2.gz NGNAAIGUDLZANV-NRSFXHEJSA-N 1 0 320.433 2.021 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)N2CCC(C3CCOCC3)CC2)CC[N@@H+]1C ZINC000554587496 406814517 /nfs/dbraw/zinc/81/45/17/406814517.db2.gz ARXMABWECISCFK-YOEHRIQHSA-N 1 0 323.481 2.317 10 0 DEAERO CC[C@@H](C)[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)OC ZINC000494596566 286793458 /nfs/dbraw/zinc/79/34/58/286793458.db2.gz NBLXKHJIRKSNRO-ZIAGYGMSSA-N 1 0 312.454 2.202 10 0 DEAERO CC[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(C)cc1 ZINC000172115780 286875093 /nfs/dbraw/zinc/87/50/93/286875093.db2.gz FWWBXHDPYHQMQB-DLBZAZTESA-N 1 0 319.449 2.418 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H](CO)CC(C)C ZINC000253191059 287008041 /nfs/dbraw/zinc/00/80/41/287008041.db2.gz UFUHOSMDJHJDAW-HZPDHXFCSA-N 1 0 313.486 2.299 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H](CO)CC(C)C ZINC000185469213 287008309 /nfs/dbraw/zinc/00/83/09/287008309.db2.gz UFUHOSMDJHJDAW-CVEARBPZSA-N 1 0 313.486 2.299 10 0 DEAERO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000119943480 287185500 /nfs/dbraw/zinc/18/55/00/287185500.db2.gz WYAJXZFLAZVQMK-GDBMZVCRSA-N 1 0 324.490 2.398 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)N[C@H](CO)CC(C)(C)C ZINC000128785555 195991111 /nfs/dbraw/zinc/99/11/11/195991111.db2.gz FMRJCXGXQRVTDR-AWEZNQCLSA-N 1 0 322.449 2.154 10 0 DEAERO CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(C)(C)C[NH3+] ZINC000128906398 196002692 /nfs/dbraw/zinc/00/26/92/196002692.db2.gz URYDZNFWTYOQAI-UHFFFAOYSA-N 1 0 310.341 2.154 10 0 DEAERO CCCn1cc(Br)cc1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000129234051 196030868 /nfs/dbraw/zinc/03/08/68/196030868.db2.gz DBOLWMKQNRRCFV-NSHDSACASA-N 1 0 314.227 2.128 10 0 DEAERO CC[NH2+]C1CCC(O[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000129302556 196037210 /nfs/dbraw/zinc/03/72/10/196037210.db2.gz SKKJAWYLWJTWQL-WUCCLRPBSA-N 1 0 303.468 2.280 10 0 DEAERO C[C@@]1(CNc2ccc(S(=O)(=O)C(F)F)cc2)CCC[NH2+]C1 ZINC000129347567 196040832 /nfs/dbraw/zinc/04/08/32/196040832.db2.gz NDUDCYXQFDBZHK-CQSZACIVSA-N 1 0 318.389 2.485 10 0 DEAERO C[NH2+]C[C@H](C)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000129458418 196050415 /nfs/dbraw/zinc/05/04/15/196050415.db2.gz WUFVOLSLRBQESA-AEZGRPFRSA-N 1 0 302.827 2.086 10 0 DEAERO CCO[C@H](C)C[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000129523877 196055603 /nfs/dbraw/zinc/05/56/03/196055603.db2.gz DIWOVETVOATYLM-SECBINFHSA-N 1 0 313.199 2.006 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)C[NH2+]C(C)(C)C ZINC000129606973 196061259 /nfs/dbraw/zinc/06/12/59/196061259.db2.gz XZLWYHRUSLOKJP-UHFFFAOYSA-N 1 0 300.200 2.479 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000129632339 196063067 /nfs/dbraw/zinc/06/30/67/196063067.db2.gz SOAJBBZSOARLCA-NSHDSACASA-N 1 0 324.222 2.481 10 0 DEAERO C[C@H](CN1C(=O)C2(CC2)N[C@H]1c1ccsc1)[NH+]1CCCC1 ZINC000130755789 196107253 /nfs/dbraw/zinc/10/72/53/196107253.db2.gz BDWBZDYJDFLQKI-TZMCWYRMSA-N 1 0 305.447 2.195 10 0 DEAERO CS[C@H](C)CCNS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000130935701 196123748 /nfs/dbraw/zinc/12/37/48/196123748.db2.gz OPQUMDDVVXFXDQ-MNOVXSKESA-N 1 0 302.465 2.126 10 0 DEAERO COc1ccc([C@H]([NH3+])[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(F)c1 ZINC000130978173 196128471 /nfs/dbraw/zinc/12/84/71/196128471.db2.gz VXPUPYDUDNXVBS-IFUGULHKSA-N 1 0 315.410 2.438 10 0 DEAERO CCc1nsc(S[C@H](C)C[C@@](C)(CO)[NH2+]C2CC2)n1 ZINC000130986867 196130236 /nfs/dbraw/zinc/13/02/36/196130236.db2.gz IHQNZNFSZLDRCH-RNCFNFMXSA-N 1 0 301.481 2.474 10 0 DEAERO CCc1nn(CCCS(=O)(=O)CC)c(CC)c1[C@@H]([NH3+])CC ZINC000131003217 196130639 /nfs/dbraw/zinc/13/06/39/196130639.db2.gz QINDRALAPMWWIA-LBPRGKRZSA-N 1 0 315.483 2.243 10 0 DEAERO C[NH2+]C[C@@H]1CN(Cc2cc(Br)ccc2F)CCO1 ZINC000131054437 196136202 /nfs/dbraw/zinc/13/62/02/196136202.db2.gz WKTZYSFAZWXMMU-GFCCVEGCSA-N 1 0 317.202 2.008 10 0 DEAERO C[C@H](C[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000131186821 196147776 /nfs/dbraw/zinc/14/77/76/196147776.db2.gz CCLWWDMWYDQSIM-HUUCEWRRSA-N 1 0 310.463 2.051 10 0 DEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@@H](C)CCSC)c1 ZINC000131238511 196151979 /nfs/dbraw/zinc/15/19/79/196151979.db2.gz VLUHEMLVCHHFLY-RYUDHWBXSA-N 1 0 316.492 2.387 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC[C@H](C)OCC)cc1 ZINC000131230871 196152210 /nfs/dbraw/zinc/15/22/10/196152210.db2.gz QZUFEEBLWCNULC-STQMWFEESA-N 1 0 314.451 2.060 10 0 DEAERO O=C(C[C@@H]1COCC[NH2+]1)c1cc(Br)ccc1F ZINC000131403079 196165839 /nfs/dbraw/zinc/16/58/39/196165839.db2.gz MWNPJAPFMBGQJW-SECBINFHSA-N 1 0 302.143 2.149 10 0 DEAERO Cc1nc2ncnn2c(NC[C@H]2CCC[N@H+]2CC(C)C)c1C ZINC000131405930 196166022 /nfs/dbraw/zinc/16/60/22/196166022.db2.gz JNANXXWHHBWNAS-CQSZACIVSA-N 1 0 302.426 2.273 10 0 DEAERO C[S@](=O)CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000131392446 196164435 /nfs/dbraw/zinc/16/44/35/196164435.db2.gz DSQSISHADOWGAU-CXAGYDPISA-N 1 0 316.264 2.275 10 0 DEAERO [NH3+]CC1(CNS(=O)(=O)c2ccc(F)c(F)c2)CCCCC1 ZINC000131561351 196180400 /nfs/dbraw/zinc/18/04/00/196180400.db2.gz ARGUVAROLCHVPP-UHFFFAOYSA-N 1 0 318.389 2.152 10 0 DEAERO C[C@H](C[NH+](C)C)N1C(=O)C2(CCCC2)N[C@@H]1c1ccsc1 ZINC000131648650 196186743 /nfs/dbraw/zinc/18/67/43/196186743.db2.gz PNPLKTGRLAMIMQ-OCCSQVGLSA-N 1 0 307.463 2.441 10 0 DEAERO Cc1ccc([C@@H]2N[C@@H](C(C)C)C(=O)N2[C@@H](C)C[NH+](C)C)s1 ZINC000131659527 196189428 /nfs/dbraw/zinc/18/94/28/196189428.db2.gz MFQFAUYYGWJSEI-TUKIKUTGSA-N 1 0 309.479 2.462 10 0 DEAERO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000131697507 196191839 /nfs/dbraw/zinc/19/18/39/196191839.db2.gz IZHWIROXYRSIHQ-AESZEHBQSA-N 1 0 311.470 2.364 10 0 DEAERO C[NH2+]Cc1sccc1S(=O)(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000131777455 196198320 /nfs/dbraw/zinc/19/83/20/196198320.db2.gz FRJHOZFOHHWKON-QWRGUYRKSA-N 1 0 302.465 2.134 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000131937111 196211599 /nfs/dbraw/zinc/21/15/99/196211599.db2.gz XAPYAXPQEQQBBH-PBHICJAKSA-N 1 0 312.417 2.249 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC3(C2)CCCCC3)C1 ZINC000131949917 196212849 /nfs/dbraw/zinc/21/28/49/196212849.db2.gz ZFUDLXRWPVNEKP-HNNXBMFYSA-N 1 0 314.495 2.314 10 0 DEAERO COC[C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000131970950 196215291 /nfs/dbraw/zinc/21/52/91/196215291.db2.gz WOQPFLXNLAMQFV-JKSUJKDBSA-N 1 0 304.434 2.392 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000132175353 196232310 /nfs/dbraw/zinc/23/23/10/196232310.db2.gz FEEWEBRKMZJCSD-CABCVRRESA-N 1 0 311.470 2.049 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H](COCc2cc(F)cc(Br)c2)O1 ZINC000132629425 196271744 /nfs/dbraw/zinc/27/17/44/196271744.db2.gz VXSWGZZTVHCZNO-NOZJJQNGSA-N 1 0 318.186 2.482 10 0 DEAERO COCc1nc(Nc2cc(OC)ccc2Cl)cc(NN)[nH+]1 ZINC000132865317 196292027 /nfs/dbraw/zinc/29/20/27/196292027.db2.gz XXSRUAKYGCMJHJ-UHFFFAOYSA-N 1 0 309.757 2.314 10 0 DEAERO CCOCc1nc(N[C@H](C)c2nc(C)cs2)cc(NN)[nH+]1 ZINC000132985209 196302014 /nfs/dbraw/zinc/30/20/14/196302014.db2.gz ZEXXSVNTQSYWHD-SECBINFHSA-N 1 0 308.411 2.237 10 0 DEAERO C[C@H]([NH3+])CCCC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000133099201 196311811 /nfs/dbraw/zinc/31/18/11/196311811.db2.gz LEMXQPTUQZCAGC-JTQLQIEISA-N 1 0 311.813 2.498 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@@]2(C)CCCC[NH2+]2)c1 ZINC000133165692 196317250 /nfs/dbraw/zinc/31/72/50/196317250.db2.gz XBGCQUJRTHAOTH-OAHLLOKOSA-N 1 0 309.797 2.170 10 0 DEAERO CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1occc1C ZINC000133190341 196319927 /nfs/dbraw/zinc/31/99/27/196319927.db2.gz GANNZJBDVUVLLB-UONOGXRCSA-N 1 0 314.451 2.300 10 0 DEAERO CC[C@@H](CSC)NS(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000133234748 196323426 /nfs/dbraw/zinc/32/34/26/196323426.db2.gz XOTWAXHFWDPDCM-YPMHNXCESA-N 1 0 316.492 2.387 10 0 DEAERO CCC[NH2+][C@H](CSc1n[nH]c(=O)n1CCC)[C@H](C)CC ZINC000133322250 196329143 /nfs/dbraw/zinc/32/91/43/196329143.db2.gz IVMBZIIQQWLEEG-VXGBXAGGSA-N 1 0 300.472 2.488 10 0 DEAERO CCC[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(CC)s2)C1 ZINC000133306114 196329538 /nfs/dbraw/zinc/32/95/38/196329538.db2.gz FPYOJRVMGONKBL-LBPRGKRZSA-N 1 0 316.492 2.463 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)c2ccc([S@](C)=O)cc2)CC1 ZINC000133907285 196345271 /nfs/dbraw/zinc/34/52/71/196345271.db2.gz CJOLIIPUDOXDPQ-KTOLVFLJSA-N 1 0 322.474 2.274 10 0 DEAERO CN(C)C1(C(=O)c2c(Cl)cnn2CC[NH+](C)C)CCCC1 ZINC000134133112 196364515 /nfs/dbraw/zinc/36/45/15/196364515.db2.gz MXAPIZCRHJHGNX-UHFFFAOYSA-N 1 0 312.845 2.155 10 0 DEAERO C[N@@H+]1CCC[C@H](Nc2c(Cl)cnn(CC3CCC3)c2=O)C1 ZINC000134168958 196367499 /nfs/dbraw/zinc/36/74/99/196367499.db2.gz KDPWWXQGRLNSIC-LBPRGKRZSA-N 1 0 310.829 2.203 10 0 DEAERO CC[C@H](CCO)[NH2+]CC(=O)Nc1ccccc1Br ZINC000134399536 196386074 /nfs/dbraw/zinc/38/60/74/196386074.db2.gz ASPXMBMNWDZJHM-SNVBAGLBSA-N 1 0 315.211 2.138 10 0 DEAERO CCC[NH2+][C@H](C[C@H](C)OC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000134488999 196395740 /nfs/dbraw/zinc/39/57/40/196395740.db2.gz PZKUXRDTUUGQCI-LJISPDSOSA-N 1 0 305.484 2.383 10 0 DEAERO CC[NH2+][C@H]1CSC[C@H]1c1nc(Cc2nc(C)cs2)no1 ZINC000134808361 196421268 /nfs/dbraw/zinc/42/12/68/196421268.db2.gz ZWKZPKHESIWDGX-ZJUUUORDSA-N 1 0 310.448 2.234 10 0 DEAERO CCC[NH2+][C@H]1CSC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000134836451 196422906 /nfs/dbraw/zinc/42/29/06/196422906.db2.gz POQBTUVDHDISJB-PWSUYJOCSA-N 1 0 308.382 2.469 10 0 DEAERO COCC[NH2+]Cc1cc(Br)cc(C)c1OCOC ZINC000135863391 196505955 /nfs/dbraw/zinc/50/59/55/196505955.db2.gz XYIHGOQKMNARIZ-UHFFFAOYSA-N 1 0 318.211 2.476 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000136328889 196533177 /nfs/dbraw/zinc/53/31/77/196533177.db2.gz ILRDPKHVUYJALX-LLVKDONJSA-N 1 0 307.785 2.233 10 0 DEAERO CC[NH2+][C@@H](Cc1ccccc1OC)C[C@@H]1CCS(=O)(=O)C1 ZINC000136914910 196557092 /nfs/dbraw/zinc/55/70/92/196557092.db2.gz ZHHCNRBMWBMPOA-DZGCQCFKSA-N 1 0 311.447 2.041 10 0 DEAERO C[NH2+][C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000151008065 196616432 /nfs/dbraw/zinc/61/64/32/196616432.db2.gz IUMCQJPWELQRRC-ZDUSSCGKSA-N 1 0 302.353 2.040 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(=O)OC(C)(C)C)cc1F ZINC000182444988 224913078 /nfs/dbraw/zinc/91/30/78/224913078.db2.gz UCXLGVGQFMKMPG-GFCCVEGCSA-N 1 0 324.396 2.243 10 0 DEAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000249749117 287344203 /nfs/dbraw/zinc/34/42/03/287344203.db2.gz PRXULXKDZUVZRT-ILXRZTDVSA-N 1 0 311.470 2.316 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194254612 225178814 /nfs/dbraw/zinc/17/88/14/225178814.db2.gz JSNCUICGUOXLFG-UHFFFAOYSA-N 1 0 304.394 2.258 10 0 DEAERO Cc1cc(OCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000195315982 225201751 /nfs/dbraw/zinc/20/17/51/225201751.db2.gz UMNMHTGFFQSHFR-ZDUSSCGKSA-N 1 0 308.809 2.334 10 0 DEAERO Cc1cc(Cl)c(C)c(S(=O)(=O)NCCC[NH3+])c1Cl ZINC000036297813 424807399 /nfs/dbraw/zinc/80/73/99/424807399.db2.gz AYEXQQODJKJVQZ-UHFFFAOYSA-N 1 0 311.234 2.237 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1CCOC1)COc1c(Cl)cccc1Cl ZINC000038094391 424808171 /nfs/dbraw/zinc/80/81/71/424808171.db2.gz BJEISWPMAFQUNR-WDEREUQCSA-N 1 0 320.216 2.359 10 0 DEAERO O[C@@H](C[NH2+]CC[C@H]1CCCO1)COCc1ccc(Cl)cc1 ZINC000038097152 424808590 /nfs/dbraw/zinc/80/85/90/424808590.db2.gz UNRRHFHIJQJZGM-JKSUJKDBSA-N 1 0 313.825 2.376 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000111826173 424851974 /nfs/dbraw/zinc/85/19/74/424851974.db2.gz UYXJHPFJQMYTEW-IAGOWNOFSA-N 1 0 319.449 2.058 10 0 DEAERO CCOCCCCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000194484604 424876850 /nfs/dbraw/zinc/87/68/50/424876850.db2.gz DYQFYNQOUXPVQP-UHFFFAOYSA-N 1 0 320.437 2.166 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2cc(OC)cc(OC)c2)C1 ZINC000194641288 424877722 /nfs/dbraw/zinc/87/77/22/424877722.db2.gz ATLKUMUYEOAUJA-OAHLLOKOSA-N 1 0 320.433 2.237 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N3CCC(C)=N3)cc2)C1 ZINC000194659417 424877731 /nfs/dbraw/zinc/87/77/31/424877731.db2.gz VTDLPYNKAQMTFY-INIZCTEOSA-N 1 0 314.433 2.487 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000153799491 424860075 /nfs/dbraw/zinc/86/00/75/424860075.db2.gz GFGIYTWJWIXMRO-MRXNPFEDSA-N 1 0 320.481 2.251 10 0 DEAERO C[C@@]1(C(=O)NCCc2ccc(Br)cc2)CCC[NH2+]1 ZINC000386598030 424911295 /nfs/dbraw/zinc/91/12/95/424911295.db2.gz GMFHLUYULFLKDQ-AWEZNQCLSA-N 1 0 311.223 2.250 10 0 DEAERO O[C@]1(CC[NH2+]Cc2cc(Br)cs2)CCOC1 ZINC000404180540 424925523 /nfs/dbraw/zinc/92/55/23/424925523.db2.gz BNRXLFNMWWHECY-LLVKDONJSA-N 1 0 306.225 2.142 10 0 DEAERO Cc1cc(C[NH2+]CC[C@]2(O)CCOC2)ccc1Br ZINC000404206533 424926254 /nfs/dbraw/zinc/92/62/54/424926254.db2.gz NNYZNFOESRSAAZ-AWEZNQCLSA-N 1 0 314.223 2.389 10 0 DEAERO [NH3+]CC1(CCNC(=O)c2ccc(F)cc2Br)CC1 ZINC000404513397 424927979 /nfs/dbraw/zinc/92/79/79/424927979.db2.gz HBQZGYYNRSEFRJ-UHFFFAOYSA-N 1 0 315.186 2.447 10 0 DEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1nscc1Br ZINC000404899400 424929544 /nfs/dbraw/zinc/92/95/44/424929544.db2.gz PGQHGLOQNQSMNV-MRVPVSSYSA-N 1 0 320.256 2.366 10 0 DEAERO Cc1nnsc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000007437239 267357216 /nfs/dbraw/zinc/35/72/16/267357216.db2.gz AUNDZKUDSPQQAC-UHFFFAOYSA-N 1 0 316.430 2.372 10 0 DEAERO Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cc1Br ZINC000657694320 425386969 /nfs/dbraw/zinc/38/69/69/425386969.db2.gz CRNIBEGZVQFHAR-GFCCVEGCSA-N 1 0 311.223 2.325 10 0 DEAERO COc1ccc(C[NH2+]C2CC(CO)C2)cc1Br ZINC000657808590 425404080 /nfs/dbraw/zinc/40/40/80/425404080.db2.gz MTKWLLPGMWQHON-UHFFFAOYSA-N 1 0 300.196 2.318 10 0 DEAERO OCC1CC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000663374110 425833558 /nfs/dbraw/zinc/83/35/58/425833558.db2.gz DQKFORNFGCSGLH-ILDUYXDCSA-N 1 0 320.216 2.094 10 0 DEAERO Cc1cc2c(cc1NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)OCO2 ZINC000333097755 268885307 /nfs/dbraw/zinc/88/53/07/268885307.db2.gz DIRDVUDPZHMPLB-VXGBXAGGSA-N 1 0 305.378 2.233 10 0 DEAERO CC(C)O[C@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1(C)C ZINC000333626192 268965902 /nfs/dbraw/zinc/96/59/02/268965902.db2.gz SFOAFHIQYRJDHA-CABCVRRESA-N 1 0 323.481 2.364 10 0 DEAERO Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333683939 268976827 /nfs/dbraw/zinc/97/68/27/268976827.db2.gz FLVZQKJGRRCPQU-JSGCOSHPSA-N 1 0 317.368 2.021 10 0 DEAERO Cc1nn(C)c2ncc(C[N@@H+]3CC[C@@H](O)CC34CCC4)cc12 ZINC000333892723 269001280 /nfs/dbraw/zinc/00/12/80/269001280.db2.gz XNKGZOSCLYGRGI-CQSZACIVSA-N 1 0 300.406 2.156 10 0 DEAERO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1csnn1 ZINC000334109802 269019913 /nfs/dbraw/zinc/01/99/13/269019913.db2.gz ATLKICQDBHBDMS-OLZOCXBDSA-N 1 0 323.466 2.259 10 0 DEAERO CC(C)[C@@H](CO)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000394045747 269100662 /nfs/dbraw/zinc/10/06/62/269100662.db2.gz JASCVCIDXLBMBV-HUUCEWRRSA-N 1 0 314.470 2.488 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cscc2Br)C1 ZINC000405031835 269112949 /nfs/dbraw/zinc/11/29/49/269112949.db2.gz PHNYTSMEAVCHJG-MRVPVSSYSA-N 1 0 303.225 2.335 10 0 DEAERO COc1ccc2nc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)ccc2c1 ZINC000171585559 274141855 /nfs/dbraw/zinc/14/18/55/274141855.db2.gz JKKJVWHJUGYNJD-AWEZNQCLSA-N 1 0 311.385 2.164 10 0 DEAERO C[C@@H]([NH3+])C(=O)Nc1ccc(I)cc1Cl ZINC000037045431 274234576 /nfs/dbraw/zinc/23/45/76/274234576.db2.gz ZDZOLRKVIJBURE-RXMQYKEDSA-N 1 0 324.549 2.230 10 0 DEAERO C[C@@H]1CN(c2ccnc3cc(Br)cnc32)C[C@H]1[NH3+] ZINC000261549750 274366227 /nfs/dbraw/zinc/36/62/27/274366227.db2.gz JUDFOSCANYGAFN-PSASIEDQSA-N 1 0 307.195 2.176 10 0 DEAERO O=C(c1cc(-c2ccncc2)on1)N1CCC[N@@H+](C2CC2)CC1 ZINC000195410717 275010865 /nfs/dbraw/zinc/01/08/65/275010865.db2.gz QXRVGLPPKMMKFQ-UHFFFAOYSA-N 1 0 312.373 2.047 10 0 DEAERO O=c1cc(N2CCC[N@@H+](C3CCCC3)CC2)nc2ccccn12 ZINC000172373366 275043852 /nfs/dbraw/zinc/04/38/52/275043852.db2.gz CVUFVAKIQPBQBN-UHFFFAOYSA-N 1 0 312.417 2.149 10 0 DEAERO CC[N@H+](C)[C@H]1CCN(c2ncnc3c2cnn3C(C)(C)C)C1 ZINC000302788496 276078661 /nfs/dbraw/zinc/07/86/61/276078661.db2.gz XKYYGHISERZJRS-LBPRGKRZSA-N 1 0 302.426 2.112 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)Cc1c(F)cccc1F ZINC000122791137 276118170 /nfs/dbraw/zinc/11/81/70/276118170.db2.gz MYOCVHCSEKBTPI-LLVKDONJSA-N 1 0 320.405 2.115 10 0 DEAERO CC1CC[NH+](CCNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000162772288 276197718 /nfs/dbraw/zinc/19/77/18/276197718.db2.gz IRFIMPJCMUSVIY-FUHWJXTLSA-N 1 0 323.481 2.055 10 0 DEAERO CCc1ccc(NC(=O)[C@H](C)[NH2+]CCn2cc(C)cn2)cc1 ZINC000105881266 276689294 /nfs/dbraw/zinc/68/92/94/276689294.db2.gz PJJRFXOZFRWZFT-AWEZNQCLSA-N 1 0 300.406 2.371 10 0 DEAERO CN1C(=O)C[C@H]([NH2+][C@@H]2CCCOC2)[C@@H]1c1ccc(Cl)cc1 ZINC000179587904 277015209 /nfs/dbraw/zinc/01/52/09/277015209.db2.gz MPXIVSAOILZNAI-YCPHGPKFSA-N 1 0 308.809 2.380 10 0 DEAERO C[NH+]1CCC(CC(=O)N2CCOC[C@@H]2c2ccc(F)cc2)CC1 ZINC000456472397 277025712 /nfs/dbraw/zinc/02/57/12/277025712.db2.gz IENCXAZXMOZTEH-QGZVFWFLSA-N 1 0 320.408 2.458 10 0 DEAERO CC(=O)Nc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000190742351 277065698 /nfs/dbraw/zinc/06/56/98/277065698.db2.gz DJGPIJYIJRDOGD-OAHLLOKOSA-N 1 0 301.390 2.002 10 0 DEAERO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000459565792 277207066 /nfs/dbraw/zinc/20/70/66/277207066.db2.gz SJGWGFRKKWIRQW-MFKMUULPSA-N 1 0 311.344 2.353 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CC2(C)OCCCO2)c2ccccc2C1 ZINC000373805649 278055617 /nfs/dbraw/zinc/05/56/17/278055617.db2.gz FTDCXYFPKMHUAG-KRWDZBQOSA-N 1 0 318.417 2.223 10 0 DEAERO CC(=O)N[C@@H](CC(=O)N[C@@](C)(C[NH3+])CC(C)C)c1ccccc1 ZINC000236686662 278134332 /nfs/dbraw/zinc/13/43/32/278134332.db2.gz HCAASSFVPDWKFX-FUHWJXTLSA-N 1 0 319.449 2.134 10 0 DEAERO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195513289 278188376 /nfs/dbraw/zinc/18/83/76/278188376.db2.gz ZXGUACRMQXEACL-AWEZNQCLSA-N 1 0 304.438 2.001 10 0 DEAERO C[C@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)[N@H+](C)C1CC1 ZINC000182701855 278199039 /nfs/dbraw/zinc/19/90/39/278199039.db2.gz ZFHQGEMRDGXMDI-DOMZBBRYSA-N 1 0 305.426 2.129 10 0 DEAERO C[C@@H]1NC(=S)N(C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1=O ZINC000369676930 279029533 /nfs/dbraw/zinc/02/95/33/279029533.db2.gz BMPJEGMOMIDKBQ-GMXVVIOVSA-N 1 0 323.487 2.236 10 0 DEAERO CC(C)C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248130094 279171248 /nfs/dbraw/zinc/17/12/48/279171248.db2.gz WJNBCAVPDYVXES-IKGGRYGDSA-N 1 0 319.449 2.138 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261546063 279238382 /nfs/dbraw/zinc/23/83/82/279238382.db2.gz KQZJXBQCUNSYTO-NVXWUHKLSA-N 1 0 303.450 2.094 10 0 DEAERO Clc1ccc([C@@H](C[NH2+]Cc2cocn2)N2CCOCC2)cc1 ZINC000192299769 279292034 /nfs/dbraw/zinc/29/20/34/279292034.db2.gz ZLGBKBGQDGXMPP-MRXNPFEDSA-N 1 0 321.808 2.491 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCOC3(CCCCC3)C2)C1 ZINC000174237849 279293928 /nfs/dbraw/zinc/29/39/28/279293928.db2.gz UNQIVZBYFAQOHW-OAHLLOKOSA-N 1 0 309.454 2.215 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCCS(=O)(=O)c1ccccc1 ZINC000175329979 279301483 /nfs/dbraw/zinc/30/14/83/279301483.db2.gz KDHWSHISCRGTPB-MRXNPFEDSA-N 1 0 324.490 2.267 10 0 DEAERO C[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c2ccccc21 ZINC000262031847 279706331 /nfs/dbraw/zinc/70/63/31/279706331.db2.gz XOPIBFZJXAHWDH-XKQJLSEDSA-N 1 0 324.428 2.264 10 0 DEAERO CC[C@@H](C(=O)NCC[C@@H]1COc2ccccc2O1)[NH+](CC)CC ZINC000361914977 280076756 /nfs/dbraw/zinc/07/67/56/280076756.db2.gz GNDOUQPODHUWPS-CABCVRRESA-N 1 0 320.433 2.453 10 0 DEAERO CC1(C)CC[C@@H](NC(=O)C2([NH3+])CCOCC2)c2ccccc21 ZINC000261829313 281108672 /nfs/dbraw/zinc/10/86/72/281108672.db2.gz KSXUTAQYLGIOTK-OAHLLOKOSA-N 1 0 302.418 2.423 10 0 DEAERO C[NH+](C)Cc1cccc(CNC(=O)NCc2cscn2)c1 ZINC000051750745 281471668 /nfs/dbraw/zinc/47/16/68/281471668.db2.gz LXODRBREJYTLKI-UHFFFAOYSA-N 1 0 304.419 2.204 10 0 DEAERO CCCCCN(CCO)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119007097 281711441 /nfs/dbraw/zinc/71/14/41/281711441.db2.gz USQYKGBKADPEAQ-UHFFFAOYSA-N 1 0 313.486 2.301 10 0 DEAERO CCOCCOCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000127412417 281857159 /nfs/dbraw/zinc/85/71/59/281857159.db2.gz SZOFTSKYTCOIBN-UHFFFAOYSA-N 1 0 306.406 2.274 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccnc(OC3CCC3)c2)[C@@H](C)C1 ZINC000134480173 282043126 /nfs/dbraw/zinc/04/31/26/282043126.db2.gz APCFYLQOAKXSDY-BBRMVZONSA-N 1 0 317.433 2.471 10 0 DEAERO CCC(CC)(C[NH3+])NS(=O)(=O)c1c(C)cc(F)cc1C ZINC000229327172 282074908 /nfs/dbraw/zinc/07/49/08/282074908.db2.gz YKUBFFVXOPSRTK-UHFFFAOYSA-N 1 0 302.415 2.238 10 0 DEAERO C[C@H](O)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000092970674 290068747 /nfs/dbraw/zinc/06/87/47/290068747.db2.gz SOYJEMDOCAWWES-HNNXBMFYSA-N 1 0 304.434 2.116 10 0 DEAERO Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000168639662 293206871 /nfs/dbraw/zinc/20/68/71/293206871.db2.gz KVKPOFZZBQGVJF-SNVBAGLBSA-N 1 0 301.312 2.185 10 0 DEAERO COCc1cccc(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000250079797 293310489 /nfs/dbraw/zinc/31/04/89/293310489.db2.gz OYOKPYCDWLDVKR-QZTJIDSGSA-N 1 0 316.445 2.318 10 0 DEAERO COc1c(C)cnc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1C ZINC000261877669 294899290 /nfs/dbraw/zinc/89/92/90/294899290.db2.gz YCJHTTFUGZGHNB-QGZVFWFLSA-N 1 0 312.417 2.249 10 0 DEAERO COc1ccc(CN2CC[C@@H](C)C[C@@H]2C[NH3+])c(OC)c1OC ZINC000262566864 295130646 /nfs/dbraw/zinc/13/06/46/295130646.db2.gz WVWDQJVOUNRYAS-TZMCWYRMSA-N 1 0 308.422 2.272 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000156801022 297093989 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DEAERO CCOCCOc1ccccc1C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000159034829 520042620 /nfs/dbraw/zinc/04/26/20/520042620.db2.gz SOHCJWILWZTHNU-HNNXBMFYSA-N 1 0 320.433 2.174 10 0 DEAERO c1csc(CN(Cc2cc[nH]n2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261669059 534518926 /nfs/dbraw/zinc/51/89/26/534518926.db2.gz BUTRDGVKLUAAFB-CYBMUJFWSA-N 1 0 303.435 2.011 10 0 DEAERO CCC(C)(C)NC(=O)C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000118852179 521313496 /nfs/dbraw/zinc/31/34/96/521313496.db2.gz DMXJTUKVOARDCV-UHFFFAOYSA-N 1 0 323.481 2.016 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000153643960 521832927 /nfs/dbraw/zinc/83/29/27/521832927.db2.gz BZASJCRBEPWVIF-GDZNZVCISA-N 1 0 317.433 2.364 10 0 DEAERO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000237245118 522416003 /nfs/dbraw/zinc/41/60/03/522416003.db2.gz GCAVFHXKUXGOLT-XYPWUTKMSA-N 1 0 320.458 2.079 10 0 DEAERO CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000246266388 522590577 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COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000163285667 523828709 /nfs/dbraw/zinc/82/87/09/523828709.db2.gz ASLBYFRMGWWBBW-LSDHHAIUSA-N 1 0 322.449 2.465 10 0 DEAERO CNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000247502347 524082015 /nfs/dbraw/zinc/08/20/15/524082015.db2.gz IKKWNYWDLQZQHC-TZMCWYRMSA-N 1 0 314.389 2.256 10 0 DEAERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000450814679 534789520 /nfs/dbraw/zinc/78/95/20/534789520.db2.gz ZEXZYNMDOVDHBP-VFZGTOFNSA-N 1 0 311.332 2.422 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nc(C2CC2)cs1 ZINC000123434002 525087100 /nfs/dbraw/zinc/08/71/00/525087100.db2.gz SRZMWROQIBRIGI-DGCLKSJQSA-N 1 0 320.462 2.399 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000300218466 534865725 /nfs/dbraw/zinc/86/57/25/534865725.db2.gz UAUVLVRXHLUHHT-TVDPOAAXSA-N 1 0 322.449 2.255 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@H+](C[C@@H](O)COCC(C)C)CC2 ZINC000374347434 534882710 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Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000154344397 527581318 /nfs/dbraw/zinc/58/13/18/527581318.db2.gz RCRAQXGJZOBCTR-GFCCVEGCSA-N 1 0 321.469 2.401 10 0 DEAERO CC(C)c1cccc(OCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000195330915 528180629 /nfs/dbraw/zinc/18/06/29/528180629.db2.gz CUBXXOGWQJNEQI-INIZCTEOSA-N 1 0 302.418 2.495 10 0 DEAERO CC[N@@H+]1CCC[C@@H](CN(C)Cc2ccon2)[C@@H]1c1cnn(C)c1 ZINC000328626454 529045860 /nfs/dbraw/zinc/04/58/60/529045860.db2.gz FCIKTWQHHLEJAP-WMLDXEAASA-N 1 0 317.437 2.313 10 0 DEAERO CC(C)(C)c1ccc(CCNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261866391 535116241 /nfs/dbraw/zinc/11/62/41/535116241.db2.gz NRVLNXBGAFLPBC-UHFFFAOYSA-N 1 0 304.434 2.151 10 0 DEAERO CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(F)cc1F ZINC000261780573 535219826 /nfs/dbraw/zinc/21/98/26/535219826.db2.gz MXGUHVAORMKSJB-BYCMXARLSA-N 1 0 312.360 2.284 10 0 DEAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000377363018 535241994 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DEAERO C[NH+](C)CCCCCCCNC(=O)N1CCO[C@@H](C(F)F)C1 ZINC000802036943 645475668 /nfs/dbraw/zinc/47/56/68/645475668.db2.gz LEWUKAYHPHXKPX-CYBMUJFWSA-N 1 0 321.412 2.174 10 0 DEAERO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000802318006 645516592 /nfs/dbraw/zinc/51/65/92/645516592.db2.gz LWVQFJGEFUSFQE-BBRMVZONSA-N 1 0 315.417 2.085 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC12OCCO2)c1ccsc1 ZINC000806430325 645829627 /nfs/dbraw/zinc/82/96/27/645829627.db2.gz LXLLBFDMAGNTDK-UONOGXRCSA-N 1 0 324.446 2.010 10 0 DEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000757183843 645937806 /nfs/dbraw/zinc/93/78/06/645937806.db2.gz HSAFTMRKQCCYPR-CHWSQXEVSA-N 1 0 305.374 2.103 10 0 DEAERO S=c1n(CN2C[C@@H]3CCC[C@@H]3C2)nnn1-c1ccccc1 ZINC000151207729 646295243 /nfs/dbraw/zinc/29/52/43/646295243.db2.gz RZDPYQYZIDOMHF-BETUJISGSA-N 1 0 301.419 2.488 10 0 DEAERO [NH2+]=C(NCCOc1ncccc1Cl)NCCc1cccs1 ZINC000156954499 646478639 /nfs/dbraw/zinc/47/86/39/646478639.db2.gz 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647393639 /nfs/dbraw/zinc/39/36/39/647393639.db2.gz IZZDMCZXYATZSK-DGCLKSJQSA-N 1 0 321.808 2.374 10 0 DEAERO CC[N@H+](C[C@H](O)CN1CCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000731399494 647473651 /nfs/dbraw/zinc/47/36/51/647473651.db2.gz KTPGSOYGSOWMBY-SJLPKXTDSA-N 1 0 320.477 2.405 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)/C=C/c2ccc(F)cc2)C1 ZINC000175236108 648340059 /nfs/dbraw/zinc/34/00/59/648340059.db2.gz WAZAEQWPNQTFJF-SLZMIMFISA-N 1 0 312.410 2.200 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NNc2cc[nH+]cc2)c1 ZINC000180517503 648497033 /nfs/dbraw/zinc/49/70/33/648497033.db2.gz XRXRHQCEMXPWIW-ABAIWWIYSA-N 1 0 310.357 2.433 10 0 DEAERO CCOCC(=O)O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181294420 648609362 /nfs/dbraw/zinc/60/93/62/648609362.db2.gz ZLVADVRANREPHH-KRWDZBQOSA-N 1 0 303.402 2.329 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H]1CSCCS1 ZINC000161328963 648887554 /nfs/dbraw/zinc/88/75/54/648887554.db2.gz ACEPCFXHTMRRDD-CHWSQXEVSA-N 1 0 304.525 2.318 10 0 DEAERO C[C@@H]1CCC[C@@H](CCNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000070549772 648946635 /nfs/dbraw/zinc/94/66/35/648946635.db2.gz JJWLPXHDHKFZCO-KGLIPLIRSA-N 1 0 302.484 2.122 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccc(F)c(F)c2)C1 ZINC000071815709 649212470 /nfs/dbraw/zinc/21/24/70/649212470.db2.gz BGWONSCAOMUTBL-ZDUSSCGKSA-N 1 0 313.344 2.478 10 0 DEAERO COc1ccc(CC(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000071815747 649212786 /nfs/dbraw/zinc/21/27/86/649212786.db2.gz SXHOPONOGLUTEC-QGZVFWFLSA-N 1 0 321.417 2.138 10 0 DEAERO COc1ccccc1C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000073186020 649655058 /nfs/dbraw/zinc/65/50/58/649655058.db2.gz KNNDDADSHAAWQF-CQSZACIVSA-N 1 0 307.390 2.209 10 0 DEAERO Cn1cc(CN2CCC[N@H+](CCc3cccs3)CC2)cn1 ZINC000105870049 651235209 /nfs/dbraw/zinc/23/52/09/651235209.db2.gz UYUSEOOXXYMLSL-UHFFFAOYSA-N 1 0 304.463 2.232 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C ZINC000858007930 652236219 /nfs/dbraw/zinc/23/62/19/652236219.db2.gz DSQKWIUSUCOBCF-OFQRWUPVSA-N 1 0 315.421 2.337 10 0 DEAERO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1coc(Br)c1 ZINC000383300895 685407684 /nfs/dbraw/zinc/40/76/84/685407684.db2.gz LXDBEKFFGIGNEL-WPRPVWTQSA-N 1 0 301.184 2.207 10 0 DEAERO Cc1nnsc1C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000384189310 685410164 /nfs/dbraw/zinc/41/01/64/685410164.db2.gz USGVUGHRPIIBLJ-BDAKNGLRSA-N 1 0 300.428 2.238 10 0 DEAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000389853987 685436290 /nfs/dbraw/zinc/43/62/90/685436290.db2.gz YJIACHDHQWUNSG-BNOWGMLFSA-N 1 0 302.340 2.020 10 0 DEAERO Cc1noc(CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)n1 ZINC000396515480 685461823 /nfs/dbraw/zinc/46/18/23/685461823.db2.gz ARDQPFOWEYEVIV-DGCLKSJQSA-N 1 0 324.425 2.298 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cc(C(C)C)nn2C)C1 ZINC000080292801 683980308 /nfs/dbraw/zinc/98/03/08/683980308.db2.gz ZWZKWOJXEFYSDS-AWEZNQCLSA-N 1 0 323.437 2.057 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CCC[C@@H]1O)c1cccc(Br)c1 ZINC000089169389 684020048 /nfs/dbraw/zinc/02/00/48/684020048.db2.gz BXINGHMFKWBSCH-KWCYVHTRSA-N 1 0 314.223 2.233 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000117359795 684068952 /nfs/dbraw/zinc/06/89/52/684068952.db2.gz BLSVALYIKPALPK-NSHDSACASA-N 1 0 319.858 2.052 10 0 DEAERO C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC([NH+](C)C)CC1 ZINC000127985132 684167640 /nfs/dbraw/zinc/16/76/40/684167640.db2.gz YREJQWHKNRPUSW-NSHDSACASA-N 1 0 310.829 2.088 10 0 DEAERO CCOCc1nc(Cl)cc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000130169151 684186203 /nfs/dbraw/zinc/18/62/03/684186203.db2.gz QSFXZDOHXMHKAV-NWDGAFQWSA-N 1 0 310.829 2.339 10 0 DEAERO [NH3+][C@@H](CNC(=O)c1ccccc1NC(=O)c1ccccc1)C1CC1 ZINC000137351438 684243495 /nfs/dbraw/zinc/24/34/95/684243495.db2.gz FDMJFGVJIUHXHP-INIZCTEOSA-N 1 0 323.396 2.406 10 0 DEAERO C[C@H](NC(=O)c1c[nH+]ccc1N)c1ccc(N2CCCC2=O)cc1 ZINC000187543245 684340110 /nfs/dbraw/zinc/34/01/10/684340110.db2.gz MALXYJGTTJDALP-LBPRGKRZSA-N 1 0 324.384 2.282 10 0 DEAERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(N2CCOC2=O)cc1 ZINC000190663186 684411650 /nfs/dbraw/zinc/41/16/50/684411650.db2.gz WFSUYPKCKITPIF-CYBMUJFWSA-N 1 0 320.389 2.447 10 0 DEAERO C[C@H]1CN=C(N2CC[NH+](C[C@H](O)CC3CCCC3)CC2)S1 ZINC000190895491 684417246 /nfs/dbraw/zinc/41/72/46/684417246.db2.gz SQZCGNHNAOPCOK-DZGCQCFKSA-N 1 0 311.495 2.037 10 0 DEAERO CC(C)Nc1ncnc2c1ncn2C[N@@H+]1CCSC[C@H](C)C1 ZINC000192180152 684443452 /nfs/dbraw/zinc/44/34/52/684443452.db2.gz RSCWYZBLBAOFSC-GFCCVEGCSA-N 1 0 320.466 2.289 10 0 DEAERO CC1(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)OCCCO1 ZINC000192248489 684445521 /nfs/dbraw/zinc/44/55/21/684445521.db2.gz UWSHRSQYOYXBKR-QGZVFWFLSA-N 1 0 321.417 2.487 10 0 DEAERO CCCCCC[C@@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192796858 684457935 /nfs/dbraw/zinc/45/79/35/684457935.db2.gz DXGSHRKZHACKOX-HZPDHXFCSA-N 1 0 313.486 2.491 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CSCCS1)c1ccccc1 ZINC000192933035 684460952 /nfs/dbraw/zinc/46/09/52/684460952.db2.gz WTIKUIIEKXZBBP-KGLIPLIRSA-N 1 0 310.488 2.254 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1ccc(Cl)s1 ZINC000193111338 685032699 /nfs/dbraw/zinc/03/26/99/685032699.db2.gz ADIPRWNAXPGBBJ-ZJUUUORDSA-N 1 0 302.827 2.299 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cc(Cl)cn2C)C1 ZINC000194497788 685068807 /nfs/dbraw/zinc/06/88/07/685068807.db2.gz KFZUPHWNESXCSL-ZDUSSCGKSA-N 1 0 314.813 2.192 10 0 DEAERO O=C(COc1ccc2c(c1)CCC2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195094713 685086963 /nfs/dbraw/zinc/08/69/63/685086963.db2.gz FUKGTGPKUWTROT-QGZVFWFLSA-N 1 0 314.429 2.251 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cccnc2Cl)[C@@H](C)C1 ZINC000245425017 685111358 /nfs/dbraw/zinc/11/13/58/685111358.db2.gz KJYYAICUUZEYNA-JSGCOSHPSA-N 1 0 324.856 2.336 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]1CSCCS1 ZINC000246202760 685125877 /nfs/dbraw/zinc/12/58/77/685125877.db2.gz QCMHAYBEYCVGQE-OLZOCXBDSA-N 1 0 302.509 2.216 10 0 DEAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O ZINC000249317326 685178072 /nfs/dbraw/zinc/17/80/72/685178072.db2.gz PSAFIACGCRDMHA-PVAVHDDUSA-N 1 0 302.418 2.192 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000249504291 685181306 /nfs/dbraw/zinc/18/13/06/685181306.db2.gz FFTSBWJPDLNWMD-RHSMWYFYSA-N 1 0 315.417 2.170 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(C(F)(F)F)cc1 ZINC000250255518 685189916 /nfs/dbraw/zinc/18/99/16/685189916.db2.gz QENZZFSSERESIL-IACUBPJLSA-N 1 0 303.324 2.489 10 0 DEAERO C[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1C[NH3+] ZINC000253195197 685195006 /nfs/dbraw/zinc/19/50/06/685195006.db2.gz RFRHUVXWVHTYLG-WDEREUQCSA-N 1 0 318.389 2.104 10 0 DEAERO CC(=O)N1C[C@@H]([NH2+]Cc2ccncc2)CC[C@@H]1C(F)(F)F ZINC000886027686 691986542 /nfs/dbraw/zinc/98/65/42/691986542.db2.gz DNBRALLGPDAZMH-QWHCGFSZSA-N 1 0 301.312 2.113 10 0 DEAERO CC(=O)N1C[C@H]([NH2+][C@H]2CCCOCC2)CC[C@@H]1C(F)(F)F ZINC000886031610 691988546 /nfs/dbraw/zinc/98/85/46/691988546.db2.gz CULUCRQMVLHNLV-YNEHKIRRSA-N 1 0 308.344 2.087 10 0 DEAERO CC(=O)NCc1cc(O[C@@H]2CC[N@@H+](C3CCCC3)C2)ccn1 ZINC000886059759 691995283 /nfs/dbraw/zinc/99/52/83/691995283.db2.gz ZYWNBJDBPUFRRK-QGZVFWFLSA-N 1 0 303.406 2.113 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CSCCS1 ZINC000176415230 782375313 /nfs/dbraw/zinc/37/53/13/782375313.db2.gz RTCZTECHSUCUIN-STQMWFEESA-N 1 0 319.540 2.111 10 0 DEAERO CCC[C@H](CCO)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724048607 777230728 /nfs/dbraw/zinc/23/07/28/777230728.db2.gz NVKGTPOWWKGTQD-ZJUUUORDSA-N 1 0 307.303 2.323 10 0 DEAERO CN1C[C@@H](CC[NH2+]Cc2csc(Br)c2)CC1=O ZINC000723550886 777121694 /nfs/dbraw/zinc/12/16/94/777121694.db2.gz DFPNDAPEOYIQHG-VIFPVBQESA-N 1 0 317.252 2.469 10 0 DEAERO CC(C)(C)OC(=O)N1CC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000723634354 777146478 /nfs/dbraw/zinc/14/64/78/777146478.db2.gz UEUZIYHCBVLMFW-MELADBBJSA-N 1 0 310.438 2.401 10 0 DEAERO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)/C=C\c2ccncn2)C1 ZINC000588438841 777195046 /nfs/dbraw/zinc/19/50/46/777195046.db2.gz BEFPAPNJJMYZSP-PTZVLDCSSA-N 1 0 308.385 2.009 10 0 DEAERO Cc1nc([C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c(C)s1 ZINC000723882906 777201003 /nfs/dbraw/zinc/20/10/03/777201003.db2.gz MLLPRBLGBQXOFD-VIFPVBQESA-N 1 0 304.481 2.481 10 0 DEAERO CC[C@H]([NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1)[C@H]1CCCOC1 ZINC000723954365 777208091 /nfs/dbraw/zinc/20/80/91/777208091.db2.gz IFEWAHMVVHWZSO-MJBXVCDLSA-N 1 0 314.426 2.332 10 0 DEAERO Cc1noc(C)c1C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724026249 777225019 /nfs/dbraw/zinc/22/50/19/777225019.db2.gz XRFZPLPJXSPZLH-VIFPVBQESA-N 1 0 302.243 2.330 10 0 DEAERO CCC(CC)[C@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724046410 777230206 /nfs/dbraw/zinc/23/02/06/777230206.db2.gz CVPHOUBIICKNCJ-NXEZZACHSA-N 1 0 307.303 2.322 10 0 DEAERO COc1ccccc1C/C(C)=C\C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000588528686 777356360 /nfs/dbraw/zinc/35/63/60/777356360.db2.gz HJAZCEGDSWKRCQ-HBOAGIKPSA-N 1 0 302.418 2.298 10 0 DEAERO C[C@](O)(C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)C(F)(F)C(F)(F)F ZINC000724681612 777460348 /nfs/dbraw/zinc/46/03/48/777460348.db2.gz CKFPIQBUGYHXEQ-UTLUCORTSA-N 1 0 303.271 2.046 10 0 DEAERO Cn1nc(Br)cc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725065649 777576655 /nfs/dbraw/zinc/57/66/55/777576655.db2.gz SXGFGVNIUBVAAF-LBPRGKRZSA-N 1 0 316.243 2.213 10 0 DEAERO C[C@@H](COCc1ccccc1)C[N@H+](C)C1(CN)CCOCC1 ZINC000725064974 777576783 /nfs/dbraw/zinc/57/67/83/777576783.db2.gz WUOHXDJIBUANPX-MRXNPFEDSA-N 1 0 306.450 2.279 10 0 DEAERO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000722252265 778551234 /nfs/dbraw/zinc/55/12/34/778551234.db2.gz HFNQQFDPMHYLFQ-LERXQTSPSA-N 1 0 313.239 2.022 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000722316112 778603490 /nfs/dbraw/zinc/60/34/90/778603490.db2.gz GVIUGDBEFGSQRI-LSDHHAIUSA-N 1 0 310.438 2.401 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@](C)(C[NH3+])C(C)C)c1C ZINC000722570748 778790621 /nfs/dbraw/zinc/79/06/21/778790621.db2.gz LMCIOVORWDMNSN-CYBMUJFWSA-N 1 0 304.481 2.325 10 0 DEAERO Cn1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1 ZINC000721844194 780253195 /nfs/dbraw/zinc/25/31/95/780253195.db2.gz DAKPRZOYSZQLAR-ZDUSSCGKSA-N 1 0 308.426 2.155 10 0 DEAERO CC(C)[C@H](C(=O)N[C@H](C)C[NH+]1CCCCCC1)N1CCCC1=O ZINC000186310667 784377702 /nfs/dbraw/zinc/37/77/02/784377702.db2.gz ZXAAQEDCIOHKKV-NVXWUHKLSA-N 1 0 323.481 2.014 10 0 DEAERO CC(C)(C)[C@H]1C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)CCO1 ZINC000721809808 787322098 /nfs/dbraw/zinc/32/20/98/787322098.db2.gz GZRKABQIJHBDPA-CHWSQXEVSA-N 1 0 305.484 2.383 10 0 DEAERO CC[C@@H]([NH2+]Cc1cn(C)nc1Br)[C@H]1CCCOC1 ZINC000723959418 787346175 /nfs/dbraw/zinc/34/61/75/787346175.db2.gz QYGPCPUAVZCUSE-CMPLNLGQSA-N 1 0 316.243 2.477 10 0 DEAERO COC[C@@]1(C)CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724074657 787348155 /nfs/dbraw/zinc/34/81/55/787348155.db2.gz QJRBRTNELZIKFT-UWVGGRQHSA-N 1 0 305.287 2.293 10 0 DEAERO CC(C)(C)C[C@@H](CO)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724115612 787349907 /nfs/dbraw/zinc/34/99/07/787349907.db2.gz SEZDJNWJDBEREH-WCBMZHEXSA-N 1 0 307.303 2.322 10 0 DEAERO COC(C)(C)[C@H](C)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397452444 790187217 /nfs/dbraw/zinc/18/72/17/790187217.db2.gz VBPPVCKYOTZLKI-STQMWFEESA-N 1 0 316.442 2.025 10 0 DEAERO COc1cc(Br)ccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000712376058 792183641 /nfs/dbraw/zinc/18/36/41/792183641.db2.gz DHCCYNROWFBLGW-SECBINFHSA-N 1 0 313.195 2.396 10 0 DEAERO CC(C)C[C@@H](CNCc1cn(C)nc1Br)[NH+](C)C ZINC000712469831 792190255 /nfs/dbraw/zinc/19/02/55/792190255.db2.gz JKBKUILBTGBHHH-LBPRGKRZSA-N 1 0 317.275 2.249 10 0 DEAERO Cn1cc(C[NH2+]C[C@]23CCC[C@H]2OCC3)c(Br)n1 ZINC000712497966 792191021 /nfs/dbraw/zinc/19/10/21/792191021.db2.gz ILBRGRFUOXZKBR-DGCLKSJQSA-N 1 0 314.227 2.231 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000712593398 792192388 /nfs/dbraw/zinc/19/23/88/792192388.db2.gz BQPANFVHJPAWMY-HUUCEWRRSA-N 1 0 311.470 2.460 10 0 DEAERO Cc1nn(C)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000713304439 792219693 /nfs/dbraw/zinc/21/96/93/792219693.db2.gz LYKFWGRLRPSSPZ-CJNGLKHVSA-N 1 0 312.417 2.435 10 0 DEAERO Cc1cnc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000713311945 792219910 /nfs/dbraw/zinc/21/99/10/792219910.db2.gz NNPJOPAEVWAWJP-BBRMVZONSA-N 1 0 313.401 2.367 10 0 DEAERO [NH3+]CCN(Cc1ccc(Br)cn1)CC(F)(F)F ZINC000713364454 792231359 /nfs/dbraw/zinc/23/13/59/792231359.db2.gz UPOMHDMUHQLOCM-UHFFFAOYSA-N 1 0 312.133 2.167 10 0 DEAERO Cc1cc(NC(=O)[C@@H]2CO[C@H](C[NH3+])C2)ccc1Br ZINC000713778679 792245453 /nfs/dbraw/zinc/24/54/53/792245453.db2.gz IAZUGVLFXGNZQG-ONGXEEELSA-N 1 0 313.195 2.060 10 0 DEAERO CC[NH+]1CCC(N(C)Cc2cn(C)nc2Br)CC1 ZINC000713823577 792260594 /nfs/dbraw/zinc/26/05/94/792260594.db2.gz YWZMRVVWYIQWLS-UHFFFAOYSA-N 1 0 315.259 2.099 10 0 DEAERO CC(C)[NH2+][C@H]1CCCN(Cc2cn(C)nc2Br)C1 ZINC000713859690 792262370 /nfs/dbraw/zinc/26/23/70/792262370.db2.gz FAFXIXZQPDXOFL-LBPRGKRZSA-N 1 0 315.259 2.145 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1F ZINC000714252246 792305496 /nfs/dbraw/zinc/30/54/96/792305496.db2.gz ZPEMFJXONRROHV-DLOVCJGASA-N 1 0 301.383 2.061 10 0 DEAERO O=S1(=O)CCC[C@@H]1CC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000714374029 792312823 /nfs/dbraw/zinc/31/28/23/792312823.db2.gz YOXUHBFVUFOMND-ZIAGYGMSSA-N 1 0 301.452 2.035 10 0 DEAERO [NH3+]C[C@@H]1C[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000714876136 792363339 /nfs/dbraw/zinc/36/33/39/792363339.db2.gz DUSUVGBFTYXUDT-ONGXEEELSA-N 1 0 308.179 2.485 10 0 DEAERO O=C(CC[C@@H]1CCC[NH2+]1)NCc1ncc(Br)s1 ZINC000714949256 792375382 /nfs/dbraw/zinc/37/53/82/792375382.db2.gz CCMANCDRHQDSBV-QMMMGPOBSA-N 1 0 318.240 2.054 10 0 DEAERO CCn1nccc1C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000715065821 792379229 /nfs/dbraw/zinc/37/92/29/792379229.db2.gz AYVPDBCSRPQTTF-UHFFFAOYSA-N 1 0 308.426 2.296 10 0 DEAERO [NH3+]C1CC(CNC(=O)c2ccc(F)cc2Br)C1 ZINC000715108442 792383133 /nfs/dbraw/zinc/38/31/33/792383133.db2.gz RTRKISYZOBQUBB-UHFFFAOYSA-N 1 0 301.159 2.055 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)C1(F)F ZINC000715156085 792398299 /nfs/dbraw/zinc/39/82/99/792398299.db2.gz FMDLZSDIHKYKDR-BZNPZCIMSA-N 1 0 300.271 2.064 10 0 DEAERO CCOC(CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)OCC ZINC000715714911 792508039 /nfs/dbraw/zinc/50/80/39/792508039.db2.gz ZJPIRAZBOIGVLK-INIZCTEOSA-N 1 0 320.433 2.166 10 0 DEAERO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccns1 ZINC000716024369 792552712 /nfs/dbraw/zinc/55/27/12/792552712.db2.gz UNKGBCLDGQLBBQ-MRVPVSSYSA-N 1 0 301.213 2.453 10 0 DEAERO NC(=O)C1CC([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000716755193 793005062 /nfs/dbraw/zinc/00/50/62/793005062.db2.gz LNHZPUVFUXRKMM-OCTTZUBCSA-N 1 0 309.207 2.290 10 0 DEAERO CC(C)(C)OC(=O)NC1CCC([NH2+]CC[C@H](O)C(F)F)CC1 ZINC000716753036 793005066 /nfs/dbraw/zinc/00/50/66/793005066.db2.gz NCPNMCAHORYIEW-MCIGGMRASA-N 1 0 322.396 2.428 10 0 DEAERO C[C@@H]1[C@H]([NH2+]CC[C@H](O)C(F)F)CCCN1C(=O)OC(C)(C)C ZINC000716765922 793007322 /nfs/dbraw/zinc/00/73/22/793007322.db2.gz QZLZQPOEZDILGJ-UTUOFQBUSA-N 1 0 322.396 2.380 10 0 DEAERO CO[C@H]1CN(C(=O)c2cscc2C(F)F)[C@](C)(C[NH3+])C1 ZINC000717219868 799261598 /nfs/dbraw/zinc/26/15/98/799261598.db2.gz GFADSIHIQKWNIN-OQPBUACISA-N 1 0 304.362 2.264 10 0 DEAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000717507570 799419356 /nfs/dbraw/zinc/41/93/56/799419356.db2.gz FWUHLSFQMAOTSZ-MCIONIFRSA-N 1 0 302.484 2.072 10 0 DEAERO C[C@H]([NH2+][C@H](CO)C1CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000717591937 799425715 /nfs/dbraw/zinc/42/57/15/799425715.db2.gz GHJXGFQFZZQPOX-AEGPPILISA-N 1 0 312.454 2.383 10 0 DEAERO c1cn(-c2ccccc2)nc1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000091060973 801487070 /nfs/dbraw/zinc/48/70/70/801487070.db2.gz FXBGWBRKXBEDOR-MRXNPFEDSA-N 1 0 315.417 2.405 10 0 DEAERO Brc1cncnc1N1CC[NH2+]C2(CCCCC2)C1 ZINC000400751786 801798956 /nfs/dbraw/zinc/79/89/56/801798956.db2.gz JYNRYJZJMDYEMQ-UHFFFAOYSA-N 1 0 311.227 2.352 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400769682 801801504 /nfs/dbraw/zinc/80/15/04/801801504.db2.gz ZUUCFIYYKKMULP-SWLSCSKDSA-N 1 0 312.454 2.383 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H](O)C3CC3)C[C@@H]2C1 ZINC000400984752 801814030 /nfs/dbraw/zinc/81/40/30/801814030.db2.gz XWNURPIMXKCWEY-XUWVNRHRSA-N 1 0 324.465 2.383 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCC(C)(C)O)CN(C(=O)OC(C)(C)C)C1 ZINC000401715453 801844844 /nfs/dbraw/zinc/84/48/44/801844844.db2.gz HBRHUGGWJGUFRI-STQMWFEESA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H](CCO)C[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401771041 801849595 /nfs/dbraw/zinc/84/95/95/801849595.db2.gz OJSFUNKHPBXTQE-RDBSUJKOSA-N 1 0 300.443 2.240 10 0 DEAERO CCc1nnc(CN[C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)[nH]1 ZINC000401796580 801852782 /nfs/dbraw/zinc/85/27/82/801852782.db2.gz JVJYDGNNVVUKHK-NEPJUHHUSA-N 1 0 323.441 2.102 10 0 DEAERO Cc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)[nH]1 ZINC000404801597 802031924 /nfs/dbraw/zinc/03/19/24/802031924.db2.gz KHIPJTKWDFNXQT-ZMLRMANQSA-N 1 0 323.441 2.456 10 0 DEAERO CC(C)[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405294146 802048165 /nfs/dbraw/zinc/04/81/65/802048165.db2.gz ZWMCRBWUXMENEW-RDBSUJKOSA-N 1 0 312.454 2.429 10 0 DEAERO COc1cc(C[NH2+]CCCOC[C@H]2CCCO2)cc(OC)c1 ZINC000058013646 1078767394 /nfs/dbraw/zinc/76/73/94/1078767394.db2.gz SGLFAIFRCPSJDO-OAHLLOKOSA-N 1 0 309.406 2.379 10 0 DEAERO COc1cc(CNCC(C)(C)C[NH+](C)C)cc2c1OCCO2 ZINC000060816821 1078877958 /nfs/dbraw/zinc/87/79/58/1078877958.db2.gz ZPMUJBJQSJNRBE-UHFFFAOYSA-N 1 0 308.422 2.144 10 0 DEAERO c1nc(N2CCCC2)ncc1CNCC[NH+]1CCCCCC1 ZINC000069673979 1079967231 /nfs/dbraw/zinc/96/72/31/1079967231.db2.gz MDBITFCYMCQQBB-UHFFFAOYSA-N 1 0 303.454 2.042 10 0 DEAERO c1cc2c(c(C[NH2+]CCCOCC3CCOCC3)c1)OCO2 ZINC000077424971 1080470994 /nfs/dbraw/zinc/47/09/94/1080470994.db2.gz LOWXDUJHEYYRPI-UHFFFAOYSA-N 1 0 307.390 2.338 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717947039 1081844710 /nfs/dbraw/zinc/84/47/10/1081844710.db2.gz UFYULQKZFGBEPE-RDJZCZTQSA-N 1 0 316.445 2.176 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000721936555 1084583478 /nfs/dbraw/zinc/58/34/78/1084583478.db2.gz BVCMKZJFBGYOIE-IXYNUQLISA-N 1 0 323.481 2.457 10 0 DEAERO O=C(N[C@H]1CCCN2CCSC[C@H]12)c1cc(Cl)ccn1 ZINC000720513568 1085281968 /nfs/dbraw/zinc/28/19/68/1085281968.db2.gz WPNDUXDSOOCILL-WCQYABFASA-N 1 0 311.838 2.045 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccoc1Br ZINC000720817242 1086168199 /nfs/dbraw/zinc/16/81/99/1086168199.db2.gz RHUJXQFVHPBNTK-QWRGUYRKSA-N 1 0 313.195 2.351 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720837572 1086205779 /nfs/dbraw/zinc/20/57/79/1086205779.db2.gz PSVREADBJMDFEN-KWBADKCTSA-N 1 0 314.227 2.230 10 0 DEAERO O=C(OCc1ccccc1)N1CC[C@H]([NH2+]CC2CSC2)C1 ZINC000700475117 1086317504 /nfs/dbraw/zinc/31/75/04/1086317504.db2.gz MWJUMJVFGAMPBJ-HNNXBMFYSA-N 1 0 306.431 2.350 10 0 DEAERO CN(CC(C)(C)[NH3+])C(=O)/C=C\c1ccc(Br)o1 ZINC000700601664 1086322357 /nfs/dbraw/zinc/32/23/57/1086322357.db2.gz GNRCAJQHBFLNHJ-ALCCZGGFSA-N 1 0 301.184 2.251 10 0 DEAERO [NH3+]CC1(CCNC(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000700634077 1086322863 /nfs/dbraw/zinc/32/28/63/1086322863.db2.gz BOEPODFTROGFTA-DUXPYHPUSA-N 1 0 313.195 2.301 10 0 DEAERO C[C@@]12CN(C(=O)c3cn[nH]c3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702326973 1086424763 /nfs/dbraw/zinc/42/47/63/1086424763.db2.gz KVSBUZSUUZBTOR-FUHWJXTLSA-N 1 0 310.401 2.004 10 0 DEAERO C[C@H]([NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1)[C@H]1CCCCO1 ZINC000703289523 1086492788 /nfs/dbraw/zinc/49/27/88/1086492788.db2.gz IPFHIHQPNSICER-YNEHKIRRSA-N 1 0 300.399 2.085 10 0 DEAERO COc1cncc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000704198492 1086573484 /nfs/dbraw/zinc/57/34/84/1086573484.db2.gz JOWLFHSYZVTIFO-CYBMUJFWSA-N 1 0 321.421 2.437 10 0 DEAERO COC[C@H](C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000704405063 1086579490 /nfs/dbraw/zinc/57/94/90/1086579490.db2.gz OBPINPPBUCUPOZ-DZKIICNBSA-N 1 0 306.406 2.268 10 0 DEAERO COC[C@@H](C)OC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000704469441 1086580713 /nfs/dbraw/zinc/58/07/13/1086580713.db2.gz AOYUBXKMOXISDQ-RHSMWYFYSA-N 1 0 306.406 2.412 10 0 DEAERO COC[C@H](C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000704405066 1086580737 /nfs/dbraw/zinc/58/07/37/1086580737.db2.gz OBPINPPBUCUPOZ-YCPHGPKFSA-N 1 0 306.406 2.268 10 0 DEAERO CC1([NH3+])CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000704546989 1086583483 /nfs/dbraw/zinc/58/34/83/1086583483.db2.gz SKAGGBCXSBCQNR-UHFFFAOYSA-N 1 0 304.362 2.001 10 0 DEAERO C[C@H]1CSC[C@H]1[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000705907999 1086627988 /nfs/dbraw/zinc/62/79/88/1086627988.db2.gz NBXFNVSXKZIVMG-QWHCGFSZSA-N 1 0 318.483 2.211 10 0 DEAERO C[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709437842 1086682899 /nfs/dbraw/zinc/68/28/99/1086682899.db2.gz AZOJHKKULINDKA-QTVXIADOSA-N 1 0 310.438 2.399 10 0 DEAERO Cn1ncc(CN[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000709621424 1086683517 /nfs/dbraw/zinc/68/35/17/1086683517.db2.gz VETBTTCHGWCIOB-KRWDZBQOSA-N 1 0 313.449 2.350 10 0 DEAERO C[C@H](O)CC(C)(C)C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710947316 1086691670 /nfs/dbraw/zinc/69/16/70/1086691670.db2.gz QBSQRYZAWAGKAC-LBPRGKRZSA-N 1 0 300.443 2.240 10 0 DEAERO CC1CCN(CC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000710973828 1086692097 /nfs/dbraw/zinc/69/20/97/1086692097.db2.gz SGESADTZFYLXFB-UHFFFAOYSA-N 1 0 311.470 2.175 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000710997703 1086692673 /nfs/dbraw/zinc/69/26/73/1086692673.db2.gz RTPOHGRUZPNTKY-PVAVHDDUSA-N 1 0 304.434 2.248 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1cc(Br)cs1 ZINC000711252839 1087036574 /nfs/dbraw/zinc/03/65/74/1087036574.db2.gz SZAMFXRGBXJQIT-SNVBAGLBSA-N 1 0 317.252 2.372 10 0 DEAERO C[C@@H](CC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[S@@](C)=O ZINC000711393357 1087083253 /nfs/dbraw/zinc/08/32/53/1087083253.db2.gz SGWWNVPIBUDMFO-HRCYWFJESA-N 1 0 318.483 2.036 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCN2CC=CCC2)C1 ZINC000711404783 1087089009 /nfs/dbraw/zinc/08/90/09/1087089009.db2.gz MSYCVSZIMTUOPX-GASCZTMLSA-N 1 0 309.454 2.141 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711408582 1087093909 /nfs/dbraw/zinc/09/39/09/1087093909.db2.gz WECLSQIWUHPTIL-FRRDWIJNSA-N 1 0 314.426 2.031 10 0 DEAERO O=C(C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)NCc1ccccc1 ZINC000711911642 1087223728 /nfs/dbraw/zinc/22/37/28/1087223728.db2.gz KKJLNFIXHGAFIO-AEFFLSMTSA-N 1 0 302.418 2.098 10 0 DEAERO CO[C@H]1CCC[C@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)CC1 ZINC000718781285 1088648042 /nfs/dbraw/zinc/64/80/42/1088648042.db2.gz YTHKGJRZBGGOET-KBPBESRZSA-N 1 0 303.468 2.139 10 0 DEAERO C[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@H](C)NC(=O)OC(C)(C)C ZINC000719117123 1088843491 /nfs/dbraw/zinc/84/34/91/1088843491.db2.gz QKLAKAUMWAYCHG-NEPJUHHUSA-N 1 0 308.426 2.221 10 0 DEAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000719581258 1089311950 /nfs/dbraw/zinc/31/19/50/1089311950.db2.gz KKHXXIMEBSLHHE-ILXRZTDVSA-N 1 0 313.486 2.466 10 0 DEAERO C[NH2+]CCCCC(=O)NCCc1ccc(Br)cc1 ZINC000719746079 1089351791 /nfs/dbraw/zinc/35/17/91/1089351791.db2.gz XPKUBRBWIZIHHX-UHFFFAOYSA-N 1 0 313.239 2.498 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccc3c(c2)CCO3)C1 ZINC000097211380 1089487123 /nfs/dbraw/zinc/48/71/23/1089487123.db2.gz VGEHLHGKCMEBBA-INIZCTEOSA-N 1 0 319.401 2.135 10 0 DEAERO C[NH2+][C@H](C)c1ccc2c(c1)CCCN2S(=O)(=O)C(F)F ZINC000162079848 197542734 /nfs/dbraw/zinc/54/27/34/197542734.db2.gz KIBNPVIUGDSJTN-SECBINFHSA-N 1 0 304.362 2.272 10 0 DEAERO CCOc1ccc([C@H](CSCCS(C)(=O)=O)[NH2+]C)cc1 ZINC000081768798 192323111 /nfs/dbraw/zinc/32/31/11/192323111.db2.gz AINJDFWKNOYZGX-AWEZNQCLSA-N 1 0 317.476 2.124 10 0 DEAERO CCOC(=O)CSC[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000081795518 192324292 /nfs/dbraw/zinc/32/42/92/192324292.db2.gz CHCSEGQHHYPAJA-GFCCVEGCSA-N 1 0 313.419 2.261 10 0 DEAERO CCOc1ccc2[nH]c(S[C@@H]3COCC[C@H]3[NH2+]C)nc2c1 ZINC000081839889 192330638 /nfs/dbraw/zinc/33/06/38/192330638.db2.gz XBXGILFORYIIKK-TZMCWYRMSA-N 1 0 307.419 2.431 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1Sc1nccc(C)n1)OCCO2 ZINC000081876751 192332747 /nfs/dbraw/zinc/33/27/47/192332747.db2.gz QLBSNZUWGRHDAN-CHWSQXEVSA-N 1 0 309.435 2.151 10 0 DEAERO Cn1c(SC[C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)n[nH]c1=O ZINC000081880458 192334195 /nfs/dbraw/zinc/33/41/95/192334195.db2.gz IALKKQNZEILJQL-GFCCVEGCSA-N 1 0 306.435 2.198 10 0 DEAERO CCc1ccc([C@H]([NH2+]C)[C@H](C)Sc2n[nH]c(=O)n2C)cc1 ZINC000081880542 192334442 /nfs/dbraw/zinc/33/44/42/192334442.db2.gz UTOZSSJACIJDMI-GXFFZTMASA-N 1 0 306.435 2.112 10 0 DEAERO C[C@@H](CS(C)(=O)=O)NC1=[NH+][C@@]2(CS1)CCC[C@@H](C)C2 ZINC000081904887 192336890 /nfs/dbraw/zinc/33/68/90/192336890.db2.gz LCJVCINLPZIYIH-MDZLAQPJSA-N 1 0 304.481 2.061 10 0 DEAERO C/C=C/CCNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000162387280 197562927 /nfs/dbraw/zinc/56/29/27/197562927.db2.gz DIMTZEHAJOQNOP-AATRIKPKSA-N 1 0 300.424 2.412 10 0 DEAERO Cc1cc(Br)cnc1OC[C@@H]1C[NH2+]CC(C)(C)O1 ZINC000162800679 197592804 /nfs/dbraw/zinc/59/28/04/197592804.db2.gz RAPBUOYDDLCGEU-NSHDSACASA-N 1 0 315.211 2.298 10 0 DEAERO COc1ccc(C[NH3+])cc1CS(=O)(=O)c1ccccc1F ZINC000081922845 192339539 /nfs/dbraw/zinc/33/95/39/192339539.db2.gz KDMYPIVAMSXGJI-UHFFFAOYSA-N 1 0 309.362 2.267 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)c1cccs1)c1ccc(OC)cc1 ZINC000081926400 192340238 /nfs/dbraw/zinc/34/02/38/192340238.db2.gz CBNDSWIPEHWVRC-CYBMUJFWSA-N 1 0 311.428 2.491 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000162991193 197605664 /nfs/dbraw/zinc/60/56/64/197605664.db2.gz CTKAKIFFEZGWFM-AEFFLSMTSA-N 1 0 323.481 2.199 10 0 DEAERO Cn1cc(CC[N@@H+]2C[C@@H](c3ccccc3)OCC2(C)C)nn1 ZINC000625134623 365654726 /nfs/dbraw/zinc/65/47/26/365654726.db2.gz QXAVQRINIPRDLO-INIZCTEOSA-N 1 0 300.406 2.210 10 0 DEAERO Cc1nc2ccccn2c1CCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000096772824 185386946 /nfs/dbraw/zinc/38/69/46/185386946.db2.gz KJQOPGJNCABCEG-UHFFFAOYSA-N 1 0 314.433 2.128 10 0 DEAERO C[NH+]1CCC(OCC(C)(C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000096777630 185387194 /nfs/dbraw/zinc/38/71/94/185387194.db2.gz SIMQCIDMGOQIRB-UHFFFAOYSA-N 1 0 316.401 2.172 10 0 DEAERO Cc1nccn1CC[NH+]1CCN(Cc2cc(F)ccc2F)CC1 ZINC000077121752 185110554 /nfs/dbraw/zinc/11/05/54/185110554.db2.gz GESWIGSKSWBDNK-UHFFFAOYSA-N 1 0 320.387 2.288 10 0 DEAERO CC[C@@H]([NH3+])[C@H](C)S(=O)(=O)c1ccccc1Br ZINC000081931522 192341525 /nfs/dbraw/zinc/34/15/25/192341525.db2.gz HYTQGPJMFATWTD-WCBMZHEXSA-N 1 0 306.225 2.349 10 0 DEAERO C[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000081930537 192341791 /nfs/dbraw/zinc/34/17/91/192341791.db2.gz NUHQKGZXGQECRY-CABCVRRESA-N 1 0 311.447 2.135 10 0 DEAERO C[NH2+][C@H]1CCC[C@H]1S(=O)(=O)c1ccccc1Br ZINC000081931562 192341950 /nfs/dbraw/zinc/34/19/50/192341950.db2.gz FDYRBQVYDURPOR-CMPLNLGQSA-N 1 0 318.236 2.363 10 0 DEAERO CC[C@@H]([NH2+]C)[C@H](C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936075 192342533 /nfs/dbraw/zinc/34/25/33/192342533.db2.gz CTNATFLGWRTPKR-WCQYABFASA-N 1 0 313.419 2.008 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)NCC2(C3CC3)CC2)C[C@H]1CC ZINC000152323972 282141094 /nfs/dbraw/zinc/14/10/94/282141094.db2.gz MMJVWKLOMXHIHJ-MRXNPFEDSA-N 1 0 323.481 2.319 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)c1ccc(N)c(Br)c1 ZINC000078894270 185124166 /nfs/dbraw/zinc/12/41/66/185124166.db2.gz VSWGWVHQLYDIAJ-UHFFFAOYSA-N 1 0 314.227 2.101 10 0 DEAERO CC[NH2+][C@H](C)CCCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935425 192343099 /nfs/dbraw/zinc/34/30/99/192343099.db2.gz IFNVGCDURZYMSG-GFCCVEGCSA-N 1 0 313.419 2.010 10 0 DEAERO CCC[NH2+][C@H](C)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935612 192343294 /nfs/dbraw/zinc/34/32/94/192343294.db2.gz FTKTUYXXWNFLRT-GFCCVEGCSA-N 1 0 313.419 2.010 10 0 DEAERO CCC(C)(C)[C@@H]1CC[C@H]([NH2+]C)[C@H](S(=O)(=O)CCOC)C1 ZINC000081944657 192344887 /nfs/dbraw/zinc/34/48/87/192344887.db2.gz IIPPEUPDDFSJHX-HZSPNIEDSA-N 1 0 305.484 2.241 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(Cl)ccc1N(C)CCS(C)(=O)=O ZINC000164777119 197663743 /nfs/dbraw/zinc/66/37/43/197663743.db2.gz XEGJGSLTBHPWAD-ZDUSSCGKSA-N 1 0 318.870 2.101 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(Cl)ccc1-n1ccc(C(=O)NC)n1 ZINC000164902427 197665761 /nfs/dbraw/zinc/66/57/61/197665761.db2.gz OEISFIOLIGEPGK-GFCCVEGCSA-N 1 0 306.797 2.165 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000079192864 185161347 /nfs/dbraw/zinc/16/13/47/185161347.db2.gz JDYJITTWPUNIRP-CABCVRRESA-N 1 0 324.469 2.158 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1nccn1C(F)F ZINC000079253360 185162453 /nfs/dbraw/zinc/16/24/53/185162453.db2.gz IEIGEIBPLUXLFS-NSHDSACASA-N 1 0 317.384 2.150 10 0 DEAERO C[NH2+][C@@](C)(CCCCSc1ccc(Cl)cn1)C(N)=O ZINC000079448189 185172191 /nfs/dbraw/zinc/17/21/91/185172191.db2.gz QUPUDMWRXRGSBL-ZDUSSCGKSA-N 1 0 301.843 2.461 10 0 DEAERO CC[NH2+][C@](C)(CCCSc1ncccc1Cl)C(N)=O ZINC000079449002 185172276 /nfs/dbraw/zinc/17/22/76/185172276.db2.gz PEOFCGQKCZQVHD-CYBMUJFWSA-N 1 0 301.843 2.461 10 0 DEAERO CC(C)[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000079382414 185167817 /nfs/dbraw/zinc/16/78/17/185167817.db2.gz XNLHFSFMYGAMDE-GJZGRUSLSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@@]1(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CCC[NH2+]1 ZINC000079518135 185173772 /nfs/dbraw/zinc/17/37/72/185173772.db2.gz PNYPDNJPDJZHRM-ZBFHGGJFSA-N 1 0 308.809 2.382 10 0 DEAERO Cc1cccc(N2CCN(C(=O)C[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000082314453 185175470 /nfs/dbraw/zinc/17/54/70/185175470.db2.gz GEMBXGUNWOWCHC-INIZCTEOSA-N 1 0 301.434 2.128 10 0 DEAERO CC[C@@H](CC[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000082790249 185203696 /nfs/dbraw/zinc/20/36/96/185203696.db2.gz YUAZAPDUXNDEGE-JTQLQIEISA-N 1 0 306.225 2.350 10 0 DEAERO C[C@@H](C[C@@](C)([NH3+])CO)Sc1ccc(Br)cn1 ZINC000082905393 185209529 /nfs/dbraw/zinc/20/95/29/185209529.db2.gz VIQYRORYJYBIGY-GZMMTYOYSA-N 1 0 305.241 2.425 10 0 DEAERO C[C@@H](C[C@@](C)([NH3+])CO)Sc1ncccc1Br ZINC000082905357 185209614 /nfs/dbraw/zinc/20/96/14/185209614.db2.gz GNFGBAFAEJVSHX-GZMMTYOYSA-N 1 0 305.241 2.425 10 0 DEAERO C[C@H]1C[NH2+]CCN1c1ccc(I)cc1 ZINC000083086698 185212758 /nfs/dbraw/zinc/21/27/58/185212758.db2.gz PORBGDHBZPRRNY-VIFPVBQESA-N 1 0 302.159 2.089 10 0 DEAERO COc1cc(OC)cc([C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC000083403119 185222267 /nfs/dbraw/zinc/22/22/67/185222267.db2.gz KVWMBWUPEWRKSI-CYBMUJFWSA-N 1 0 318.417 2.114 10 0 DEAERO [NH3+]C[C@@H](c1ccccc1Br)[C@H](O)C1CCOCC1 ZINC000087381615 185223097 /nfs/dbraw/zinc/22/30/97/185223097.db2.gz ABJFMPRMDSASLK-GXTWGEPZSA-N 1 0 314.223 2.279 10 0 DEAERO CC(C)[C@H](C[NH3+])NC(=O)c1cc(Br)cn1C1CC1 ZINC000087403425 185223907 /nfs/dbraw/zinc/22/39/07/185223907.db2.gz ZXVRJKQZQHUROD-NSHDSACASA-N 1 0 314.227 2.299 10 0 DEAERO O[C@@H](C[NH2+]C1CC1)COc1ccc(Br)c(F)c1 ZINC000087430594 185224492 /nfs/dbraw/zinc/22/44/92/185224492.db2.gz KTPQVEZWZSECMJ-VIFPVBQESA-N 1 0 304.159 2.080 10 0 DEAERO CCC[NH2+]C[C@H](O)COc1ccc(Br)c(F)c1 ZINC000087430589 185224539 /nfs/dbraw/zinc/22/45/39/185224539.db2.gz LPDXMCZIRLCNSV-VIFPVBQESA-N 1 0 306.175 2.328 10 0 DEAERO CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000087516828 185227492 /nfs/dbraw/zinc/22/74/92/185227492.db2.gz YRVCXNQCEGLXAR-SRVKXCTJSA-N 1 0 310.360 2.224 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000087519332 185227522 /nfs/dbraw/zinc/22/75/22/185227522.db2.gz RTOKYQYJVFZJBK-JTQLQIEISA-N 1 0 311.813 2.355 10 0 DEAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000087532110 185227622 /nfs/dbraw/zinc/22/76/22/185227622.db2.gz XSMXAHQDDKKKFX-SNVBAGLBSA-N 1 0 309.797 2.390 10 0 DEAERO C[C@@H](CC[NH3+])C(=O)N(C)Cc1cc(Br)cs1 ZINC000087635639 185229788 /nfs/dbraw/zinc/22/97/88/185229788.db2.gz UOIMAJXVNMMUJW-QMMMGPOBSA-N 1 0 305.241 2.454 10 0 DEAERO COCCN(C(=O)CCC(C)(C)CC[NH3+])[C@H]1CCSC1 ZINC000087696038 185230668 /nfs/dbraw/zinc/23/06/68/185230668.db2.gz ZUKOWMSFPBGDLD-ZDUSSCGKSA-N 1 0 302.484 2.122 10 0 DEAERO COc1ccc(Br)cc1[C@H]([NH3+])CC(C)(C)C(N)=O ZINC000087722132 185230957 /nfs/dbraw/zinc/23/09/57/185230957.db2.gz PMPMQYKNRSOXLM-SNVBAGLBSA-N 1 0 315.211 2.359 10 0 DEAERO COc1ccc(Br)c(C[C@](C)(C[NH3+])[C@@H](C)O)c1 ZINC000087932093 185237708 /nfs/dbraw/zinc/23/77/08/185237708.db2.gz KWXOSLKGYSWIHA-NOZJJQNGSA-N 1 0 302.212 2.346 10 0 DEAERO COc1ccc(Br)c(C[S@](=O)C[C@H](C)[NH3+])c1 ZINC000088069754 185238741 /nfs/dbraw/zinc/23/87/41/185238741.db2.gz ZICNZYYTURKBEQ-PWJLMRLQSA-N 1 0 306.225 2.054 10 0 DEAERO COCC[N@H+](C)CCNc1cc(Br)ccc1N ZINC000087835594 185232964 /nfs/dbraw/zinc/23/29/64/185232964.db2.gz RJGYGSYOQZCYGL-UHFFFAOYSA-N 1 0 302.216 2.021 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2ccc3nc(N)sc3c2)CC1 ZINC000087847243 185233315 /nfs/dbraw/zinc/23/33/15/185233315.db2.gz VMQJNRKHCGMNJB-UHFFFAOYSA-N 1 0 304.419 2.045 10 0 DEAERO C[NH2+][C@H](Cc1ccc(F)cc1Br)[C@@H]1COCCO1 ZINC000087857504 185233562 /nfs/dbraw/zinc/23/35/62/185233562.db2.gz SJOPXUJUWACORQ-OLZOCXBDSA-N 1 0 318.186 2.134 10 0 DEAERO CCNc1ncc(Br)c(SCC[NH+](C)C)n1 ZINC000087852351 185233632 /nfs/dbraw/zinc/23/36/32/185233632.db2.gz HBPJYUXZMVKLEG-UHFFFAOYSA-N 1 0 305.245 2.325 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(Br)cc1)[C@H]1COCCO1 ZINC000087858104 185233758 /nfs/dbraw/zinc/23/37/58/185233758.db2.gz TYYHBUBNQIJAOP-UONOGXRCSA-N 1 0 314.223 2.385 10 0 DEAERO CN(c1ccc(F)cc1)c1nc(NN)[nH+]cc1Br ZINC000087868754 185234066 /nfs/dbraw/zinc/23/40/66/185234066.db2.gz QPZNZXYVTSSAJM-UHFFFAOYSA-N 1 0 312.146 2.432 10 0 DEAERO C[C@@H]1CCCN(c2nc(NN)[nH+]cc2Br)[C@@H]1C ZINC000087869085 185234202 /nfs/dbraw/zinc/23/42/02/185234202.db2.gz CLISIMZODVYLMD-HTQZYQBOSA-N 1 0 300.204 2.150 10 0 DEAERO O=C(C[C@H]1CCCCNC1=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000328882228 231376353 /nfs/dbraw/zinc/37/63/53/231376353.db2.gz WXWXLKGRVMZGAU-LSDHHAIUSA-N 1 0 307.438 2.077 10 0 DEAERO COCC[NH2+]Cc1cccc(F)c1OCCOC(F)(F)F ZINC000165675402 197680135 /nfs/dbraw/zinc/68/01/35/197680135.db2.gz AMMHXPMESZUYGH-UHFFFAOYSA-N 1 0 311.275 2.477 10 0 DEAERO O=[S@](Cc1cc(F)cc(Br)c1)CC1C[NH2+]C1 ZINC000088090500 185239668 /nfs/dbraw/zinc/23/96/68/185239668.db2.gz MFJMKHKHDVWGDB-INIZCTEOSA-N 1 0 306.200 2.056 10 0 DEAERO [NH3+][C@H]1CC(=O)N(c2c3nsnc3c(Cl)cc2Cl)C1 ZINC000088127205 185240253 /nfs/dbraw/zinc/24/02/53/185240253.db2.gz XZZYPMGCZVJOQC-BYPYZUCNSA-N 1 0 303.174 2.062 10 0 DEAERO CC1(C)C[NH2+]CCN1CCCc1nc(-c2cccs2)no1 ZINC000088140187 185240557 /nfs/dbraw/zinc/24/05/57/185240557.db2.gz USAITLGGBVCNKB-UHFFFAOYSA-N 1 0 306.435 2.415 10 0 DEAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccccc1S(C)(=O)=O ZINC000088276763 185244588 /nfs/dbraw/zinc/24/45/88/185244588.db2.gz FGXCZFPEJNNWFY-GFCCVEGCSA-N 1 0 312.435 2.040 10 0 DEAERO CC(C)C[C@H](C[NH3+])CC(=O)Nc1cc(C(N)=O)ccc1Cl ZINC000088276535 185244723 /nfs/dbraw/zinc/24/47/23/185244723.db2.gz IWTHYMFZWZLCDO-JTQLQIEISA-N 1 0 311.813 2.389 10 0 DEAERO CCCCS(=O)(=O)C[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000081973539 192348589 /nfs/dbraw/zinc/34/85/89/192348589.db2.gz ABYRKLMYQDKHPV-ZDUSSCGKSA-N 1 0 315.435 2.179 10 0 DEAERO CC[NH2+]C[C@@H](C)Cn1cnc2ccc(Br)cc2c1=O ZINC000088452989 185251774 /nfs/dbraw/zinc/25/17/74/185251774.db2.gz XANCHGDKXYKRNK-SNVBAGLBSA-N 1 0 324.222 2.405 10 0 DEAERO CC[C@@H](C[NH3+])S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000088472435 185252276 /nfs/dbraw/zinc/25/22/76/185252276.db2.gz RQAXDSIQPKCHHK-INIZCTEOSA-N 1 0 310.463 2.008 10 0 DEAERO CCC[NH2+][C@@](CO)(CN1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088439655 185250705 /nfs/dbraw/zinc/25/07/05/185250705.db2.gz KFWUETAQONPTRN-UONOGXRCSA-N 1 0 308.388 2.401 10 0 DEAERO CC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(C[NH2+]C)o2)[C@@H]1C ZINC000088551520 185257437 /nfs/dbraw/zinc/25/74/37/185257437.db2.gz FUMUVRCJNQESAA-WZRBSPASSA-N 1 0 300.424 2.102 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC)o1 ZINC000088543657 185256587 /nfs/dbraw/zinc/25/65/87/185256587.db2.gz VKKXHQRAKYZKMI-LBPRGKRZSA-N 1 0 300.424 2.342 10 0 DEAERO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1ccc(C(N)=S)cc1 ZINC000088704716 185262715 /nfs/dbraw/zinc/26/27/15/185262715.db2.gz XAAQYXYWJAIQRW-NWDGAFQWSA-N 1 0 305.447 2.380 10 0 DEAERO CCC1(C)CCN(S(=O)(=O)c2ccc(C[NH2+]C)o2)CC1 ZINC000088550727 185257625 /nfs/dbraw/zinc/25/76/25/185257625.db2.gz SAHVQOOGGOYCRV-UHFFFAOYSA-N 1 0 300.424 2.200 10 0 DEAERO CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188088660 282210986 /nfs/dbraw/zinc/21/09/86/282210986.db2.gz JFJJTSHFKIDMQB-BJJXKVORSA-N 1 0 324.490 2.449 10 0 DEAERO Cc1cc(C)c2c(N)c(C(=O)NC[C@@H](C)[NH+](C)C)sc2n1 ZINC000088642588 185261175 /nfs/dbraw/zinc/26/11/75/185261175.db2.gz TUAHBYBTIPMRSQ-SNVBAGLBSA-N 1 0 306.435 2.175 10 0 DEAERO CCOc1ccccc1-c1nnc(CC[NH2+]CCOC)s1 ZINC000088824229 185266616 /nfs/dbraw/zinc/26/66/16/185266616.db2.gz ADTBTJYCBNFXPA-UHFFFAOYSA-N 1 0 307.419 2.382 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1S(=O)(=O)CCCOC ZINC000081986159 192349675 /nfs/dbraw/zinc/34/96/75/192349675.db2.gz YRUUUTKNXHGDNM-JKSUJKDBSA-N 1 0 311.447 2.103 10 0 DEAERO C[C@H]([NH3+])CCCS(=O)(=O)c1cccc(Br)c1 ZINC000081982719 192349791 /nfs/dbraw/zinc/34/97/91/192349791.db2.gz FJGXPSRGGXPXGB-VIFPVBQESA-N 1 0 306.225 2.350 10 0 DEAERO c1ccc2[nH]c(C3C[NH+](CCOC4CCOCC4)C3)nc2c1 ZINC000625262192 365701444 /nfs/dbraw/zinc/70/14/44/365701444.db2.gz SZUZSFJJEBIXTI-UHFFFAOYSA-N 1 0 301.390 2.158 10 0 DEAERO CN1C(=O)CC[C@H]([NH2+]Cc2[nH]c3ccccc3c2Cl)C1=O ZINC000090027311 185279055 /nfs/dbraw/zinc/27/90/55/185279055.db2.gz JNUZUROPZVOSEG-NSHDSACASA-N 1 0 305.765 2.058 10 0 DEAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000081990333 192350677 /nfs/dbraw/zinc/35/06/77/192350677.db2.gz TUIIUCCPSKZASV-CZUORRHYSA-N 1 0 311.447 2.238 10 0 DEAERO COc1ccc2c(c1)CC[C@H](S(=O)(=O)C1CCCC1)[C@@H]2[NH3+] ZINC000081988636 192350958 /nfs/dbraw/zinc/35/09/58/192350958.db2.gz VHHOAPGJIFAKND-JKSUJKDBSA-N 1 0 309.431 2.367 10 0 DEAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000081990338 192351097 /nfs/dbraw/zinc/35/10/97/192351097.db2.gz TUIIUCCPSKZASV-XJKSGUPXSA-N 1 0 311.447 2.238 10 0 DEAERO CNC(=O)c1cc(NC(=O)[C@@]2(C)CCC[C@H]2[NH3+])ccc1Cl ZINC000166039863 197686710 /nfs/dbraw/zinc/68/67/10/197686710.db2.gz QSQIPZPPHFMZOI-DOMZBBRYSA-N 1 0 309.797 2.156 10 0 DEAERO COC(C[C@@](C)(C[NH3+])N(C)Cc1ccc(Cl)cc1)OC ZINC000090265798 185288388 /nfs/dbraw/zinc/28/83/88/185288388.db2.gz SWOSWYNRNGUTCH-HNNXBMFYSA-N 1 0 300.830 2.498 10 0 DEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)Cc1cccc(Br)c1 ZINC000090324508 185291087 /nfs/dbraw/zinc/29/10/87/185291087.db2.gz FUXQUQKLLUWGKK-MPKXVKKWSA-N 1 0 323.234 2.058 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Br)o1 ZINC000090336299 185291570 /nfs/dbraw/zinc/29/15/70/185291570.db2.gz UJWZPCNBSBMOLU-RKDXNWHRSA-N 1 0 313.195 2.112 10 0 DEAERO CCn1c2ccc(Br)cc2nc1[C@@H]1COC[C@H]1[NH3+] ZINC000090363757 185292786 /nfs/dbraw/zinc/29/27/86/185292786.db2.gz XUUNLOAKNCVUBK-NXEZZACHSA-N 1 0 310.195 2.260 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1c1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000090364596 185292828 /nfs/dbraw/zinc/29/28/28/185292828.db2.gz QGDSQTQMWZTUSS-GZMMTYOYSA-N 1 0 314.172 2.408 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1c1nc(Cc2ccc(Cl)cc2)no1 ZINC000090473334 185298479 /nfs/dbraw/zinc/29/84/79/185298479.db2.gz QTBBVIFIGOYBNC-QWHCGFSZSA-N 1 0 307.781 2.406 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000090487829 185298906 /nfs/dbraw/zinc/29/89/06/185298906.db2.gz ZLNZUXOIHBNWMQ-NWDGAFQWSA-N 1 0 313.195 2.012 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000090489890 185299026 /nfs/dbraw/zinc/29/90/26/185299026.db2.gz IJUATEWNCQAGNM-SMDDNHRTSA-N 1 0 314.788 2.062 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCCO1 ZINC000181335861 199282292 /nfs/dbraw/zinc/28/22/92/199282292.db2.gz PQXRUPKQPZULHC-RDJZCZTQSA-N 1 0 319.449 2.327 10 0 DEAERO C[C@]1(C(=O)N2CCC[C@@H]2c2ccccc2Cl)COC[C@@H]1[NH3+] ZINC000090593802 185305740 /nfs/dbraw/zinc/30/57/40/185305740.db2.gz SLVCWBYRXSLDJQ-YCPHGPKFSA-N 1 0 308.809 2.367 10 0 DEAERO O=C(NCC[C@@H]1CCC[NH2+]1)c1cccc(F)c1Br ZINC000166723958 197697566 /nfs/dbraw/zinc/69/75/66/197697566.db2.gz BVNCLNZLIFPLLJ-VIFPVBQESA-N 1 0 315.186 2.460 10 0 DEAERO C[C@]1(c2nnc3c(Cl)cc(C(F)(F)F)cn32)COC[C@H]1[NH3+] ZINC000090573054 185304259 /nfs/dbraw/zinc/30/42/59/185304259.db2.gz SXZCFRIPFSVOCX-KCJUWKMLSA-N 1 0 320.702 2.017 10 0 DEAERO Cc1cc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])ccc1Br ZINC000090580527 185304842 /nfs/dbraw/zinc/30/48/42/185304842.db2.gz BVDHVVBTSSHWMF-YPMHNXCESA-N 1 0 313.195 2.060 10 0 DEAERO Cc1cccc(OCC(=O)N2CCCSC[C@H]2C[NH+](C)C)c1 ZINC000090699943 185310366 /nfs/dbraw/zinc/31/03/66/185310366.db2.gz VHBYEISTWHZMTL-OAHLLOKOSA-N 1 0 322.474 2.270 10 0 DEAERO CC(C)C[NH2+]C[C@H]1CCCN1c1ncncc1Br ZINC000090782604 185311897 /nfs/dbraw/zinc/31/18/97/185311897.db2.gz JKKMORAQQFNKSJ-LLVKDONJSA-N 1 0 313.243 2.454 10 0 DEAERO COc1ccc(Br)cc1C[S@@](=O)CC[C@@H](C)[NH3+] ZINC000166822606 197699630 /nfs/dbraw/zinc/69/96/30/197699630.db2.gz ROPUXQCXYARBLT-VVVCHXIZSA-N 1 0 320.252 2.444 10 0 DEAERO COc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1F ZINC000090680242 185309320 /nfs/dbraw/zinc/30/93/20/185309320.db2.gz SBFNOKIFZFGBFM-ZDUSSCGKSA-N 1 0 306.381 2.392 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](Sc1nnc(C)n1C)CC2 ZINC000092389961 185315618 /nfs/dbraw/zinc/31/56/18/185315618.db2.gz MNMVNYMVEUWXGV-ZIAGYGMSSA-N 1 0 304.419 2.239 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](O)c1ccccc1 ZINC000179716935 282232646 /nfs/dbraw/zinc/23/26/46/282232646.db2.gz LHHAUIQUJOGUDD-MAUKXSAKSA-N 1 0 312.413 2.357 10 0 DEAERO CC(C)[C@@H](CO)[NH2+]C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000092400480 185315890 /nfs/dbraw/zinc/31/58/90/185315890.db2.gz GADQDJAYDGDEIV-QWHCGFSZSA-N 1 0 314.223 2.359 10 0 DEAERO CC(C)(C)OC(=O)CSc1cc(NN)[nH+]c(C(C)(C)C)n1 ZINC000167024411 197703215 /nfs/dbraw/zinc/70/32/15/197703215.db2.gz IBGWIZRBVBXYLN-UHFFFAOYSA-N 1 0 312.439 2.494 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)n1cnc(C(=O)OC)n1 ZINC000167353141 197706945 /nfs/dbraw/zinc/70/69/45/197706945.db2.gz HZZLFPMBXBLMQQ-NEPJUHHUSA-N 1 0 308.769 2.045 10 0 DEAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000092510157 185323314 /nfs/dbraw/zinc/32/33/14/185323314.db2.gz SGRFHXBSSZWMSL-QGZVFWFLSA-N 1 0 317.433 2.478 10 0 DEAERO Cc1cc(C)n2c(C[NH+]3CCC(n4ccnc4)CC3)cnc2n1 ZINC000092648658 185331440 /nfs/dbraw/zinc/33/14/40/185331440.db2.gz OEXBAQHFLCQJBA-UHFFFAOYSA-N 1 0 310.405 2.380 10 0 DEAERO C[C@@H]([NH3+])Cc1ccc(N2CCS(=O)CC2)cc1C(F)(F)F ZINC000167530438 197710444 /nfs/dbraw/zinc/71/04/44/197710444.db2.gz YGNQRYXMSNGSQK-SNVBAGLBSA-N 1 0 320.380 2.164 10 0 DEAERO CCO[C@@H]([C@@H](CCCS(C)(=O)=O)[NH2+]C)C1CCCCC1 ZINC000167619745 197711787 /nfs/dbraw/zinc/71/17/87/197711787.db2.gz SJZDIXGXDOWYFG-HUUCEWRRSA-N 1 0 305.484 2.385 10 0 DEAERO CCCn1cc(C[NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)cn1 ZINC000185669257 282264582 /nfs/dbraw/zinc/26/45/82/282264582.db2.gz NJMHMZRKDXSNEY-JKSUJKDBSA-N 1 0 307.438 2.357 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2CC)C12CCOCC2 ZINC000186393247 282274299 /nfs/dbraw/zinc/27/42/99/282274299.db2.gz CUWUZABGGAXQKK-JKSUJKDBSA-N 1 0 307.438 2.046 10 0 DEAERO CCc1nsc(SCC[C@](O)(C[NH3+])c2ccccc2)n1 ZINC000168570136 197725553 /nfs/dbraw/zinc/72/55/53/197725553.db2.gz LUDRSILUKVHVDW-AWEZNQCLSA-N 1 0 309.460 2.429 10 0 DEAERO Cc1ccc(NCCCNC(=O)NC[C@H]2CCC(C)(C)O2)nc1 ZINC000186740253 282282443 /nfs/dbraw/zinc/28/24/43/282282443.db2.gz ILHXTHJGVRNJCP-CQSZACIVSA-N 1 0 320.437 2.449 10 0 DEAERO C[N@@H+]1CCN(CCNC(=O)N[C@H]2CCC23CCCC3)CC1(C)C ZINC000441038380 529771996 /nfs/dbraw/zinc/77/19/96/529771996.db2.gz PWQBAYIDTMZWOZ-HNNXBMFYSA-N 1 0 322.497 2.034 10 0 DEAERO c1ccc(C[NH2+]C2CCN(CCOC3CCOCC3)CC2)cc1 ZINC000625453127 365792257 /nfs/dbraw/zinc/79/22/57/365792257.db2.gz DTANLAJCSANVNV-UHFFFAOYSA-N 1 0 318.461 2.436 10 0 DEAERO CC(C)(C)NC(=O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186920927 282285883 /nfs/dbraw/zinc/28/58/83/282285883.db2.gz FOIXBJCJBDUOMG-UHFFFAOYSA-N 1 0 322.424 2.110 10 0 DEAERO CN(C)c1ccc(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cn1 ZINC000444855036 529784524 /nfs/dbraw/zinc/78/45/24/529784524.db2.gz FYQIMACVKFLDPB-UHFFFAOYSA-N 1 0 319.453 2.391 10 0 DEAERO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)c[nH]2)[C@@H]1c1cccnc1 ZINC000328622937 529793319 /nfs/dbraw/zinc/79/33/19/529793319.db2.gz IUPDGJGBVRICLT-WFASDCNBSA-N 1 0 318.808 2.486 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ncnc3c2ncn3C2CC2)C1 ZINC000292850122 529808474 /nfs/dbraw/zinc/80/84/74/529808474.db2.gz WBBYKNCXGSMNHV-JSGCOSHPSA-N 1 0 312.421 2.082 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000074915223 539355939 /nfs/dbraw/zinc/35/59/39/539355939.db2.gz JLGHUFRUVBUTEY-UHFFFAOYSA-N 1 0 303.406 2.203 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC000190670678 282324668 /nfs/dbraw/zinc/32/46/68/282324668.db2.gz HCXJVLRETWJYPX-ZBFHGGJFSA-N 1 0 311.470 2.317 10 0 DEAERO CCOc1c(Cl)cc([C@@H]2NN=C3CC[NH2+]C[C@H]32)cc1OC ZINC000169966024 197762828 /nfs/dbraw/zinc/76/28/28/197762828.db2.gz ZXRQIKUHHACIFQ-YGRLFVJLSA-N 1 0 309.797 2.357 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC000190670657 282324725 /nfs/dbraw/zinc/32/47/25/282324725.db2.gz HCXJVLRETWJYPX-HOCLYGCPSA-N 1 0 311.470 2.317 10 0 DEAERO Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3ccncc3)CCCN2C)cn1 ZINC000328624274 530011064 /nfs/dbraw/zinc/01/10/64/530011064.db2.gz CJPBXVSDPUQSHW-FUHWJXTLSA-N 1 0 313.449 2.330 10 0 DEAERO C[C@H](O)CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000085990413 539403396 /nfs/dbraw/zinc/40/33/96/539403396.db2.gz QDHVGDKGTDLCQY-UWVGGRQHSA-N 1 0 308.205 2.094 10 0 DEAERO CCc1ccccc1OCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195039772 282367093 /nfs/dbraw/zinc/36/70/93/282367093.db2.gz QXPYQOMOZILBCR-INIZCTEOSA-N 1 0 302.418 2.325 10 0 DEAERO CC(C)c1nnc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)s1 ZINC000450596229 534974440 /nfs/dbraw/zinc/97/44/40/534974440.db2.gz FUAQDRQUSITTIU-MGPQQGTHSA-N 1 0 324.494 2.345 10 0 DEAERO CCOc1ccc([C@@H](C)NC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000091135312 539418115 /nfs/dbraw/zinc/41/81/15/539418115.db2.gz BMTXKTMHANMIGM-OCCSQVGLSA-N 1 0 308.447 2.358 10 0 DEAERO O=C(N1CCC[C@H](C(F)(F)F)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244665 539440094 /nfs/dbraw/zinc/44/00/94/539440094.db2.gz SWKVPNOHTTWHPI-WCBMZHEXSA-N 1 0 318.261 2.329 10 0 DEAERO CC(C)c1nc2c(n1C)CCN(C(=O)NCc1cscn1)C2 ZINC000112747052 539441717 /nfs/dbraw/zinc/44/17/17/539441717.db2.gz VUIXGMWCILVODE-UHFFFAOYSA-N 1 0 319.434 2.268 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(C)C)n(C)n2)[C@@H](C)C1 ZINC000245409977 282385541 /nfs/dbraw/zinc/38/55/41/282385541.db2.gz OUKLAPXKBMSXNK-ZFWWWQNUSA-N 1 0 306.454 2.346 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(F)c(F)c1 ZINC000245423464 282386518 /nfs/dbraw/zinc/38/65/18/282386518.db2.gz JLWKSMBCUORTQX-KBPBESRZSA-N 1 0 323.387 2.462 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[C@H](C(=O)OC)C2)[C@@H](C)C1 ZINC000245423352 282386616 /nfs/dbraw/zinc/38/66/16/282386616.db2.gz JJBNXFPPHLMTQR-FZKCQIBNSA-N 1 0 324.465 2.155 10 0 DEAERO COCC[N@@H+]1CCN(Cc2csc([C@H](C)OC)n2)C[C@@H]1C ZINC000245473881 282390556 /nfs/dbraw/zinc/39/05/56/282390556.db2.gz QKHWXGIFJZFQNZ-STQMWFEESA-N 1 0 313.467 2.003 10 0 DEAERO CC(C)[C@@H]1N(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@@]12CCCO2 ZINC000333789808 282966161 /nfs/dbraw/zinc/96/61/61/282966161.db2.gz GAEBHJIMTFGHTR-OVWQWFNUSA-N 1 0 323.481 2.351 10 0 DEAERO C[C@@H](C1CC1)N(C(=O)CN1CCC([NH+]2CCCC2)CC1)C1CC1 ZINC000108865239 185537100 /nfs/dbraw/zinc/53/71/00/185537100.db2.gz WKKJUXOERSCIQF-HNNXBMFYSA-N 1 0 319.493 2.336 10 0 DEAERO CC(C)(C)OC(=O)CCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000181798954 199353823 /nfs/dbraw/zinc/35/38/23/199353823.db2.gz UMOIMOHEBSJSKV-UHFFFAOYSA-N 1 0 320.437 2.111 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H]1CCC[NH3+] ZINC000111374097 185590303 /nfs/dbraw/zinc/59/03/03/185590303.db2.gz LJXPFMGEJQRVKO-CYBMUJFWSA-N 1 0 300.399 2.026 10 0 DEAERO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCNC(=O)CC2)c(C)c1 ZINC000137067633 539519562 /nfs/dbraw/zinc/51/95/62/539519562.db2.gz DYDUGMHNPBFZQX-UHFFFAOYSA-N 1 0 317.433 2.152 10 0 DEAERO C[NH2+][C@@H](C)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000111714230 185629153 /nfs/dbraw/zinc/62/91/53/185629153.db2.gz CATMFUPREKJLPK-AWEZNQCLSA-N 1 0 310.463 2.312 10 0 DEAERO O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000083433965 192370790 /nfs/dbraw/zinc/37/07/90/192370790.db2.gz JVOUIFUIIPEWLM-OKZBNKHCSA-N 1 0 310.397 2.330 10 0 DEAERO O=C(N[C@H](c1ccccc1)[C@H](O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000083433964 192370915 /nfs/dbraw/zinc/37/09/15/192370915.db2.gz JVOUIFUIIPEWLM-RCCFBDPRSA-N 1 0 310.397 2.330 10 0 DEAERO [NH3+]C1CCC(OCCNC(=O)c2cc3c(s2)CCC3)CC1 ZINC000111790769 185636981 /nfs/dbraw/zinc/63/69/81/185636981.db2.gz QBPPQZHXJWBTJD-UHFFFAOYSA-N 1 0 308.447 2.253 10 0 DEAERO COc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)cc(Cl)c1O ZINC000153520059 539544736 /nfs/dbraw/zinc/54/47/36/539544736.db2.gz MLKFPCTXVIYXQM-UHFFFAOYSA-N 1 0 324.808 2.411 10 0 DEAERO CCc1nnc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC000154666595 539552268 /nfs/dbraw/zinc/55/22/68/539552268.db2.gz JAZSPDRQZMPEHK-LLVKDONJSA-N 1 0 311.455 2.342 10 0 DEAERO CC(C)(C)[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)CCO1 ZINC000279680077 215057039 /nfs/dbraw/zinc/05/70/39/215057039.db2.gz FGACSDIHJIGCCN-SJORKVTESA-N 1 0 307.434 2.311 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000248879120 282535324 /nfs/dbraw/zinc/53/53/24/282535324.db2.gz ROZFCUWSINBCMK-VNQPRFMTSA-N 1 0 302.418 2.179 10 0 DEAERO C[NH2+][C@H](CCO)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000095075701 290828836 /nfs/dbraw/zinc/82/88/36/290828836.db2.gz PAHIEYCZCQNBIQ-CVEARBPZSA-N 1 0 306.406 2.148 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000333825808 282973369 /nfs/dbraw/zinc/97/33/69/282973369.db2.gz RWDQDAHDWFZKQC-AQNFWKISSA-N 1 0 307.825 2.493 10 0 DEAERO CC(=O)c1ccc(NC(=O)NCCOCCC[NH3+])cc1Cl ZINC000625877073 365939880 /nfs/dbraw/zinc/93/98/80/365939880.db2.gz QWJMZZVHLNCIBH-UHFFFAOYSA-N 1 0 313.785 2.030 10 0 DEAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000251315409 282587596 /nfs/dbraw/zinc/58/75/96/282587596.db2.gz LDYUTNWXIFKXOW-OWCLPIDISA-N 1 0 316.511 2.462 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)cnc1OC ZINC000182005437 199373480 /nfs/dbraw/zinc/37/34/80/199373480.db2.gz AIJPZVZJOCPKDI-UONOGXRCSA-N 1 0 318.421 2.489 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000263274268 282974358 /nfs/dbraw/zinc/97/43/58/282974358.db2.gz SQBHEBUKYLWXPI-HBNTYKKESA-N 1 0 318.343 2.482 10 0 DEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C(=O)c1cc(Br)cn1C ZINC000070151530 190863371 /nfs/dbraw/zinc/86/33/71/190863371.db2.gz GYRLZQFPDZGNFB-MWLCHTKSSA-N 1 0 314.227 2.130 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H]1c1cccc(N)n1 ZINC000616609572 362898008 /nfs/dbraw/zinc/89/80/08/362898008.db2.gz FHZPDXGDNYSJBT-ZDUSSCGKSA-N 1 0 306.410 2.325 10 0 DEAERO CC(C)(C)C(=O)N1CCC(c2nnc([C@@H]3CCC[NH2+]3)o2)CC1 ZINC000616575012 362893038 /nfs/dbraw/zinc/89/30/38/362893038.db2.gz COXKLIIVOAHYMC-LBPRGKRZSA-N 1 0 306.410 2.246 10 0 DEAERO CCC(CC)N(CCOC)C[C@](CO)([NH2+]C(C)C)C1CC1 ZINC000070515011 190903253 /nfs/dbraw/zinc/90/32/53/190903253.db2.gz QDWHFCVHTWGOQH-QGZVFWFLSA-N 1 0 300.487 2.263 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CC[C@@H](CC)C2)CC1 ZINC000080456486 192158757 /nfs/dbraw/zinc/15/87/57/192158757.db2.gz NNSHFPGCZZGYKY-HIFRSBDPSA-N 1 0 302.484 2.359 10 0 DEAERO [NH3+][C@H](c1cc(F)c(Br)cc1F)[C@H]1COCCO1 ZINC000070472667 190900714 /nfs/dbraw/zinc/90/07/14/190900714.db2.gz BRLXTNUUFWEJAC-GHMZBOCLSA-N 1 0 308.122 2.143 10 0 DEAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000183219335 539660154 /nfs/dbraw/zinc/66/01/54/539660154.db2.gz RAJQEXCRNIXSFD-CRAIPNDOSA-N 1 0 316.445 2.273 10 0 DEAERO CCCOc1ccc(OCC[NH2+][C@@H](C(=O)NC)C(C)C)cc1 ZINC000183639353 539663570 /nfs/dbraw/zinc/66/35/70/539663570.db2.gz VBHHDXVZUZMVFZ-MRXNPFEDSA-N 1 0 308.422 2.214 10 0 DEAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000083566352 192373439 /nfs/dbraw/zinc/37/34/39/192373439.db2.gz OFCSZXMOQCULES-YFKPBYRVSA-N 1 0 303.236 2.071 10 0 DEAERO C[C@@H]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000187853411 539679956 /nfs/dbraw/zinc/67/99/56/539679956.db2.gz KJDCQUJEFKFNPU-HZPDHXFCSA-N 1 0 311.470 2.367 10 0 DEAERO FC(F)(F)c1cc2c(OC[C@@H]3CCCC[NH2+]3)nccn2n1 ZINC000130133526 185939786 /nfs/dbraw/zinc/93/97/86/185939786.db2.gz RBWHFESJCSCRAI-VIFPVBQESA-N 1 0 300.284 2.269 10 0 DEAERO CC(C)C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCCS(C)(=O)=O ZINC000071347543 190960459 /nfs/dbraw/zinc/96/04/59/190960459.db2.gz RSUKRKCUKLSIGM-HUUCEWRRSA-N 1 0 318.527 2.156 10 0 DEAERO COc1ccc([S@@](=O)[C@H]2COc3ccccc3[C@@H]2[NH3+])cc1 ZINC000084002455 192395582 /nfs/dbraw/zinc/39/55/82/192395582.db2.gz MHCPAAFUAXCHCV-QYWGDWMGSA-N 1 0 303.383 2.264 10 0 DEAERO COc1cccc([S@](=O)[C@H]2COc3ccccc3[C@@H]2[NH3+])c1 ZINC000084003187 192395673 /nfs/dbraw/zinc/39/56/73/192395673.db2.gz BHEGFDGZLWPHIV-CKJXQJPGSA-N 1 0 303.383 2.264 10 0 DEAERO CN1C(=O)C[C@H]([NH2+][C@@H]2CCCOC2)[C@H]1c1ccc(Cl)cc1 ZINC000179587892 282645539 /nfs/dbraw/zinc/64/55/39/282645539.db2.gz MPXIVSAOILZNAI-IJEWVQPXSA-N 1 0 308.809 2.380 10 0 DEAERO CCCc1ccc(S(=O)(=O)N2CCC(C)([NH2+]C)CC2)cc1 ZINC000133353794 185976240 /nfs/dbraw/zinc/97/62/40/185976240.db2.gz IHJRDZAGPDKJFK-UHFFFAOYSA-N 1 0 310.463 2.402 10 0 DEAERO CC[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000133360726 185977380 /nfs/dbraw/zinc/97/73/80/185977380.db2.gz VXHZDQHPTVMQCZ-VIFPVBQESA-N 1 0 308.856 2.164 10 0 DEAERO CC(C)n1ncc(Br)c1[C@@]1(O)CC[NH2+]C[C@@H]1C ZINC000133521012 185992010 /nfs/dbraw/zinc/99/20/10/185992010.db2.gz OSAXGURZQKEQRA-JOYOIKCWSA-N 1 0 302.216 2.044 10 0 DEAERO CC[NH+](CC)CCN(C[C@H](C)C(=O)OC)C(=O)C(C)(C)C ZINC000071604203 190992582 /nfs/dbraw/zinc/99/25/82/190992582.db2.gz IHVNHTLORODGDN-ZDUSSCGKSA-N 1 0 300.443 2.012 10 0 DEAERO CC(C)(C)c1ccc2c(c1)[C@@H](C[NH3+])N(CCN1CCOCC1)C2 ZINC000071683789 191007203 /nfs/dbraw/zinc/00/72/03/191007203.db2.gz ZJQJASSLAOUWFV-GOSISDBHSA-N 1 0 317.477 2.132 10 0 DEAERO CC(C)[C@H]([NH3+])c1nc(CC(=O)Nc2ncccc2O)cs1 ZINC000071694404 191008376 /nfs/dbraw/zinc/00/83/76/191008376.db2.gz ZXIJWJGRSLFPQT-LBPRGKRZSA-N 1 0 306.391 2.081 10 0 DEAERO COc1cc2c(c(OC)c1)[C@H](C[NH3+])N(Cc1nc(C)cs1)C2 ZINC000071683946 191008951 /nfs/dbraw/zinc/00/89/51/191008951.db2.gz MNCBQDZCHDVZQM-ZDUSSCGKSA-N 1 0 319.430 2.484 10 0 DEAERO Nc1ncccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000071700405 191009959 /nfs/dbraw/zinc/00/99/59/191009959.db2.gz CTAMYFILQQMWLP-INIZCTEOSA-N 1 0 310.401 2.231 10 0 DEAERO CC1CC(NS(=O)(=O)c2ccc(C[NH2+]C3CC3)s2)C1 ZINC000133622467 186000771 /nfs/dbraw/zinc/00/07/71/186000771.db2.gz RGKPZSKMYAXGLA-UHFFFAOYSA-N 1 0 300.449 2.077 10 0 DEAERO COC(=O)c1c(NC(=O)CCC[C@H](C)[NH3+])sc2c1CCC2 ZINC000133683644 186006321 /nfs/dbraw/zinc/00/63/21/186006321.db2.gz BQIUAUZKZIDIAK-VIFPVBQESA-N 1 0 310.419 2.479 10 0 DEAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000133686044 186007212 /nfs/dbraw/zinc/00/72/12/186007212.db2.gz ZQFPBVJXDUVZPT-ZNMIVQPWSA-N 1 0 322.474 2.123 10 0 DEAERO C[C@](C[NH3+])(Nc1ccc(C(N)=O)c(C(F)(F)F)c1)C1CC1 ZINC000133777202 186011734 /nfs/dbraw/zinc/01/17/34/186011734.db2.gz AVJGCHOZPVSPAQ-CYBMUJFWSA-N 1 0 301.312 2.344 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)NC2CCCC2)c1 ZINC000138620429 186018003 /nfs/dbraw/zinc/01/80/03/186018003.db2.gz XSCLBMRHEHQLGP-UHFFFAOYSA-N 1 0 318.389 2.295 10 0 DEAERO C[C@H]1C[NH2+]C[C@H]1c1nc(-c2ncccc2Br)no1 ZINC000139867451 186024525 /nfs/dbraw/zinc/02/45/25/186024525.db2.gz WVAXXZXJISNXMU-JGVFFNPUSA-N 1 0 309.167 2.217 10 0 DEAERO CN(Cc1cc2n(n1)CC[NH2+]C2)Cc1ccnc2ccccc12 ZINC000072150926 191056638 /nfs/dbraw/zinc/05/66/38/191056638.db2.gz MWHLSJLYOMPVRU-UHFFFAOYSA-N 1 0 307.401 2.167 10 0 DEAERO Cc1ccc([C@H]2N[C@@H](CC(C)C)C(=O)N2CC[NH+](C)C)s1 ZINC000140033141 186025372 /nfs/dbraw/zinc/02/53/72/186025372.db2.gz QOBTUIVOHDKCPI-ZFWWWQNUSA-N 1 0 309.479 2.463 10 0 DEAERO CC[C@H](C)[C@@H]1N[C@@H](c2ccc(C)s2)N(CC[NH+](C)C)C1=O ZINC000139969202 186025487 /nfs/dbraw/zinc/02/54/87/186025487.db2.gz FVBSWQHTNBBBMB-TUKIKUTGSA-N 1 0 309.479 2.463 10 0 DEAERO C[NH+](C)CCn1ncc(Cl)c1[C@@H](O)[C@]1(C)CCCS1 ZINC000140179026 186026420 /nfs/dbraw/zinc/02/64/20/186026420.db2.gz AIYNQFQWSDKOCZ-OLZOCXBDSA-N 1 0 303.859 2.417 10 0 DEAERO CN(C)C(=O)NCCn1c(N)[nH+]c2cc(Cl)c(Cl)cc21 ZINC000147317664 186039387 /nfs/dbraw/zinc/03/93/87/186039387.db2.gz KREWYVTWUNZZBT-UHFFFAOYSA-N 1 0 316.192 2.197 10 0 DEAERO CCOCC[N@@H+]1CCN(c2cc(CC)nc(C)n2)C[C@@H]1CC ZINC000248438353 539773788 /nfs/dbraw/zinc/77/37/88/539773788.db2.gz SXDZOGQOONLEJW-INIZCTEOSA-N 1 0 306.454 2.285 10 0 DEAERO Cc1nc(OCc2cccc(Br)c2)cc(NN)[nH+]1 ZINC000147821322 186041996 /nfs/dbraw/zinc/04/19/96/186041996.db2.gz RSABUZGHCNQVFA-UHFFFAOYSA-N 1 0 309.167 2.412 10 0 DEAERO C[C@H]1OCC[C@@]12C[NH+]=C(N)N2c1ccc(Br)cc1 ZINC000148449139 186044659 /nfs/dbraw/zinc/04/46/59/186044659.db2.gz FFIUWWMLFVRFBX-NOZJJQNGSA-N 1 0 310.195 2.131 10 0 DEAERO CC(C)[C@@H]1N[C@@H](c2ccsc2)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000142875927 186032914 /nfs/dbraw/zinc/03/29/14/186032914.db2.gz UXAJHZXFXXWHHN-QLFBSQMISA-N 1 0 307.463 2.297 10 0 DEAERO CC[C@H]1N[C@@H](c2ccsc2)N(CC[NH+]2CCCCC2)C1=O ZINC000144076800 186034983 /nfs/dbraw/zinc/03/49/83/186034983.db2.gz COSRYUYNSMLUNG-HUUCEWRRSA-N 1 0 307.463 2.443 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1C(=O)C2(CC2)N[C@H]1c1cccs1 ZINC000144370260 186035283 /nfs/dbraw/zinc/03/52/83/186035283.db2.gz VSJBHIXGRMIAGV-GXTWGEPZSA-N 1 0 305.447 2.195 10 0 DEAERO Cc1ccc([C@@H]2N[C@@H](C(C)C)C(=O)N2C[C@@H](C)[NH+](C)C)s1 ZINC000144952038 186036404 /nfs/dbraw/zinc/03/64/04/186036404.db2.gz RBGCJPOENBOMOO-BYCMXARLSA-N 1 0 309.479 2.462 10 0 DEAERO C[C@H](O)C(C)(C)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000144954139 186036671 /nfs/dbraw/zinc/03/66/71/186036671.db2.gz UNWYDFIBPQHPSB-JOYOIKCWSA-N 1 0 302.212 2.232 10 0 DEAERO O=C(c1cnc(-c2ccccc2)nc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000148855795 186046190 /nfs/dbraw/zinc/04/61/90/186046190.db2.gz HAXAGNASOVSLTK-UHFFFAOYSA-N 1 0 322.412 2.454 10 0 DEAERO COc1cc(NC(=O)C[C@@H](C)C[NH3+])ccc1Br ZINC000149167337 186047686 /nfs/dbraw/zinc/04/76/86/186047686.db2.gz UVTLIWUYTXFRKY-MRVPVSSYSA-N 1 0 301.184 2.381 10 0 DEAERO C[C@H](CS(=O)(=O)NC[C@H]1CCC[C@@H](C)[NH2+]1)c1ccccc1 ZINC000149377223 186049629 /nfs/dbraw/zinc/04/96/29/186049629.db2.gz SELGSAMLABTPMM-IIAWOOMASA-N 1 0 310.463 2.240 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000149500596 186049989 /nfs/dbraw/zinc/04/99/89/186049989.db2.gz XGEBJSCMEDSQDC-GDBMZVCRSA-N 1 0 310.463 2.194 10 0 DEAERO C[NH2+][C@H](Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000150048564 186054263 /nfs/dbraw/zinc/05/42/63/186054263.db2.gz VBAWCGXWLQXAKV-DGCLKSJQSA-N 1 0 321.364 2.271 10 0 DEAERO CCC[NH2+][C@H](Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000150200790 186055368 /nfs/dbraw/zinc/05/53/68/186055368.db2.gz BTJIMJMANPMYQZ-GXTWGEPZSA-N 1 0 316.854 2.080 10 0 DEAERO CCC[NH2+][C@@H]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC2(CCC2)C1 ZINC000150199530 186055399 /nfs/dbraw/zinc/05/53/99/186055399.db2.gz WSHGAQGKDTUTCD-RBSFLKMASA-N 1 0 315.479 2.139 10 0 DEAERO C[NH2+]Cc1nc([C@@H]2CCS(=O)(=O)C2)sc1-c1ccccc1 ZINC000150325754 186056742 /nfs/dbraw/zinc/05/67/42/186056742.db2.gz RBAQOQKHUFNZGU-GFCCVEGCSA-N 1 0 322.455 2.432 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(N(C)C)n1 ZINC000152669741 186095575 /nfs/dbraw/zinc/09/55/75/186095575.db2.gz QQUKWUWBFRGLIZ-ZDUSSCGKSA-N 1 0 305.426 2.096 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000155693733 186103773 /nfs/dbraw/zinc/10/37/73/186103773.db2.gz QRJROVSZPZTPIW-YRGRVCCFSA-N 1 0 322.836 2.442 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000155804824 186114936 /nfs/dbraw/zinc/11/49/36/186114936.db2.gz MGBTWDLBZLHNRB-NSHDSACASA-N 1 0 310.467 2.473 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000155822694 186115771 /nfs/dbraw/zinc/11/57/71/186115771.db2.gz BXINQMQWJIEQSV-KBPBESRZSA-N 1 0 301.475 2.059 10 0 DEAERO [NH3+]C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C1CCCCC1 ZINC000155823674 186115991 /nfs/dbraw/zinc/11/59/91/186115991.db2.gz CQUOFQKYKGCKJB-PCUGXKRQSA-N 1 0 308.447 2.484 10 0 DEAERO [NH3+]CCCOc1ncc(Br)cc1Br ZINC000164057289 186147070 /nfs/dbraw/zinc/14/70/70/186147070.db2.gz ZGHJVACAIGUSNY-UHFFFAOYSA-N 1 0 309.989 2.334 10 0 DEAERO C[C@@H](C(=O)Nc1cc(Cl)ccc1-n1cccn1)C1C[NH2+]C1 ZINC000164121115 186149096 /nfs/dbraw/zinc/14/90/96/186149096.db2.gz PJSSIGGVJHHKFC-SNVBAGLBSA-N 1 0 304.781 2.320 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1ccc(Br)cc1F ZINC000159556069 186127159 /nfs/dbraw/zinc/12/71/59/186127159.db2.gz FDDXRHOOPIQPDI-JTQLQIEISA-N 1 0 319.174 2.281 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(F)c(Br)c2)CCOCC1 ZINC000159570547 186127722 /nfs/dbraw/zinc/12/77/22/186127722.db2.gz UVULCRHDAHJBPN-UHFFFAOYSA-N 1 0 317.158 2.035 10 0 DEAERO C[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[S@](C)=O ZINC000159684112 186135193 /nfs/dbraw/zinc/13/51/93/186135193.db2.gz WYYNIYOEMFWOHT-CFMSYZGJSA-N 1 0 317.838 2.358 10 0 DEAERO C[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[S@@](C)=O ZINC000159684275 186135406 /nfs/dbraw/zinc/13/54/06/186135406.db2.gz WYYNIYOEMFWOHT-FVINQWEUSA-N 1 0 317.838 2.358 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1cc(Br)ccc1C ZINC000159690850 186135676 /nfs/dbraw/zinc/13/56/76/186135676.db2.gz FRNFFOAQUMTDEL-LLVKDONJSA-N 1 0 315.211 2.450 10 0 DEAERO CSc1nc(-n2cnc3cc(C)c(C)cc32)cc(NN)[nH+]1 ZINC000159709602 186137023 /nfs/dbraw/zinc/13/70/23/186137023.db2.gz FCRQCILQXYJISS-UHFFFAOYSA-N 1 0 300.391 2.440 10 0 DEAERO CN(C)[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000171506168 186169687 /nfs/dbraw/zinc/16/96/87/186169687.db2.gz XGTYTVZGVKHMMM-SFHVURJKSA-N 1 0 315.461 2.376 10 0 DEAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)c2c(Br)cnn2C)C1 ZINC000164350301 186156629 /nfs/dbraw/zinc/15/66/29/186156629.db2.gz VDEXRSAEUHJUGW-PRHODGIISA-N 1 0 300.200 2.273 10 0 DEAERO C[C@@H](C(=O)N(C)Cc1csc(Br)c1)C1C[NH2+]C1 ZINC000164458187 186159267 /nfs/dbraw/zinc/15/92/67/186159267.db2.gz SEMXOUIWRRPISJ-MRVPVSSYSA-N 1 0 317.252 2.325 10 0 DEAERO Cc1cc(Br)cnc1N1C[C@@H](C[NH3+])OC(C)(C)C1 ZINC000164470405 186159401 /nfs/dbraw/zinc/15/94/01/186159401.db2.gz ODQADJXVHPBSSC-LLVKDONJSA-N 1 0 314.227 2.095 10 0 DEAERO Cc1ccc(OCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000173334602 186177525 /nfs/dbraw/zinc/17/75/25/186177525.db2.gz AUKKKODUAITKSI-INIZCTEOSA-N 1 0 315.417 2.030 10 0 DEAERO CC(C)NC(=O)CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179733448 186211561 /nfs/dbraw/zinc/21/15/61/186211561.db2.gz JENAEEVHAGJXNO-GOSISDBHSA-N 1 0 318.417 2.413 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)Cc2ccccc2)C1 ZINC000188004750 186242484 /nfs/dbraw/zinc/24/24/84/186242484.db2.gz IAJFCDKJJJTVAJ-YJBOKZPZSA-N 1 0 304.434 2.128 10 0 DEAERO CC(C)[C@@H]([NH2+]CC(=O)NC(N)=O)c1cccc(C(F)(F)F)c1 ZINC000181897109 186216199 /nfs/dbraw/zinc/21/61/99/186216199.db2.gz MOQNDHJJZAXWGH-GFCCVEGCSA-N 1 0 317.311 2.187 10 0 DEAERO CC(C)Oc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903650 198004679 /nfs/dbraw/zinc/00/46/79/198004679.db2.gz KXANRJIMVVOFLU-MRXNPFEDSA-N 1 0 317.433 2.463 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2ccc(F)cc21 ZINC000171908470 198006401 /nfs/dbraw/zinc/00/64/01/198006401.db2.gz BVEAILVXJRXDGB-OAHLLOKOSA-N 1 0 321.396 2.009 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)NCC3CCC3)cc2)CC1 ZINC000172052823 198031644 /nfs/dbraw/zinc/03/16/44/198031644.db2.gz QKXHNSJCKZFHIT-UHFFFAOYSA-N 1 0 301.434 2.358 10 0 DEAERO Cc1ccccc1CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000172134534 198044716 /nfs/dbraw/zinc/04/47/16/198044716.db2.gz HCGSSWDMFZFPST-RDJZCZTQSA-N 1 0 301.434 2.416 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000333877423 282983948 /nfs/dbraw/zinc/98/39/48/282983948.db2.gz VPJWQJJBQWKKGC-JKSUJKDBSA-N 1 0 309.454 2.119 10 0 DEAERO Cn1cncc1C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000125236174 282789877 /nfs/dbraw/zinc/78/98/77/282789877.db2.gz MNBKWYKNERNZEU-GOEBONIOSA-N 1 0 318.808 2.135 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)OCCCO3)CC[N@@H+]1C ZINC000172622001 198126453 /nfs/dbraw/zinc/12/64/53/198126453.db2.gz OIQAAYGFKLSIMB-HIFRSBDPSA-N 1 0 318.417 2.403 10 0 DEAERO CN(C(=O)c1cnc(-c2ccncc2)s1)C1CC[NH+](C)CC1 ZINC000172765139 198147115 /nfs/dbraw/zinc/14/71/15/198147115.db2.gz RVPHRMQKMJJHKN-UHFFFAOYSA-N 1 0 316.430 2.371 10 0 DEAERO CC[NH+](CC)CCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000172911609 198166752 /nfs/dbraw/zinc/16/67/52/198166752.db2.gz DSXPIHXOAAJPRD-CABCVRRESA-N 1 0 318.417 2.019 10 0 DEAERO Cn1cnnc1[C@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 ZINC000328625811 539909415 /nfs/dbraw/zinc/90/94/15/539909415.db2.gz DMQAXVVFMJNHAJ-XYBNCVKDSA-N 1 0 302.353 2.041 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000072820340 191234015 /nfs/dbraw/zinc/23/40/15/191234015.db2.gz ZQTFJXCUTAXXCE-QGZVFWFLSA-N 1 0 323.396 2.293 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000072859231 191243380 /nfs/dbraw/zinc/24/33/80/191243380.db2.gz MMQKTTCYOCNSTP-GFCCVEGCSA-N 1 0 311.376 2.177 10 0 DEAERO CCOc1cccnc1-c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000329700889 539927352 /nfs/dbraw/zinc/92/73/52/539927352.db2.gz HDJHFXGHHJPEMT-DGCLKSJQSA-N 1 0 316.361 2.066 10 0 DEAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000173267662 198203206 /nfs/dbraw/zinc/20/32/06/198203206.db2.gz IIINVMDPQLDMPE-QWRGUYRKSA-N 1 0 318.389 2.068 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000173272587 198204308 /nfs/dbraw/zinc/20/43/08/198204308.db2.gz GSUVGYOPDFXWOD-YPMHNXCESA-N 1 0 316.854 2.443 10 0 DEAERO O=C(Nc1ccc(-c2ncco2)cc1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333098464 539948048 /nfs/dbraw/zinc/94/80/48/539948048.db2.gz BZYMFSCRHZWGFP-KBPBESRZSA-N 1 0 312.373 2.415 10 0 DEAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@@H](C)[C@H]2C)cc1 ZINC000333192693 539951073 /nfs/dbraw/zinc/95/10/73/539951073.db2.gz AFLIXIXDGWLONK-OMNBBPDLSA-N 1 0 317.433 2.191 10 0 DEAERO CCc1cnc(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)s1 ZINC000173397034 198210507 /nfs/dbraw/zinc/21/05/07/198210507.db2.gz HRUPWKMRBBUAEW-STQMWFEESA-N 1 0 322.478 2.474 10 0 DEAERO C[C@@H](NC(=O)N1CCC([NH2+]CC2CC2)CC1)[C@@H]1CCCCO1 ZINC000333595322 539964491 /nfs/dbraw/zinc/96/44/91/539964491.db2.gz BLOKDWVKANPCQM-CJNGLKHVSA-N 1 0 309.454 2.118 10 0 DEAERO Fc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333683936 539968360 /nfs/dbraw/zinc/96/83/60/539968360.db2.gz FLVZQKJGRRCPQU-GXTWGEPZSA-N 1 0 317.368 2.021 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000333776920 539971579 /nfs/dbraw/zinc/97/15/79/539971579.db2.gz DBGYOZDLZGNQJC-BBWFWOEESA-N 1 0 323.481 2.495 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(-n2cncn2)c(C)c1 ZINC000173709879 198243701 /nfs/dbraw/zinc/24/37/01/198243701.db2.gz FBRBTKRPQNHXBH-CQSZACIVSA-N 1 0 315.421 2.036 10 0 DEAERO Cc1ccc2c(c1)CN(C(=O)N[C@@H]1CCCC[NH2+]C1)CCO2 ZINC000333811431 539972338 /nfs/dbraw/zinc/97/23/38/539972338.db2.gz JJKJQOLFINQISY-OAHLLOKOSA-N 1 0 303.406 2.041 10 0 DEAERO COCc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173812210 198256112 /nfs/dbraw/zinc/25/61/12/198256112.db2.gz RNGZYMPZPYMXFC-WMLDXEAASA-N 1 0 319.449 2.457 10 0 DEAERO C[C@@H](C[NH2+]C[C@H]1COC2(CCOCC2)O1)Cc1ccccc1 ZINC000182074403 199382722 /nfs/dbraw/zinc/38/27/22/199382722.db2.gz ATYKEKLLCYWOPV-WBVHZDCISA-N 1 0 305.418 2.377 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2COc3ccccc32)CC[N@@H+]1C ZINC000174441294 198335982 /nfs/dbraw/zinc/33/59/82/198335982.db2.gz MXIHQTMFAKKIKS-VNHYZAJKSA-N 1 0 303.406 2.244 10 0 DEAERO CN(C)c1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000174539555 198349751 /nfs/dbraw/zinc/34/97/51/198349751.db2.gz QONGJEHMYXSDPM-ZXFUBFMLSA-N 1 0 301.434 2.498 10 0 DEAERO COC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000174628105 198362031 /nfs/dbraw/zinc/36/20/31/198362031.db2.gz DIXIQVKSMDXJOT-OIISXLGYSA-N 1 0 319.449 2.498 10 0 DEAERO CO[C@H](C)C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000182141833 199392047 /nfs/dbraw/zinc/39/20/47/199392047.db2.gz PASUCGUFPOFNOS-MRXNPFEDSA-N 1 0 314.433 2.025 10 0 DEAERO COc1ccc([C@H](C)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000174642581 198364139 /nfs/dbraw/zinc/36/41/39/198364139.db2.gz BWVKKSCHDHVPOJ-IMJJTQAJSA-N 1 0 302.418 2.494 10 0 DEAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2ccc(C)cc2)C[C@H]1CC ZINC000174782739 198384970 /nfs/dbraw/zinc/38/49/70/198384970.db2.gz DKOQXZQHVYEOIB-MOPGFXCFSA-N 1 0 320.477 2.461 10 0 DEAERO CC(C)NC(=O)CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000046502267 354285471 /nfs/dbraw/zinc/28/54/71/354285471.db2.gz HKEABUGEAUUCMZ-RMKNXTFCSA-N 1 0 315.461 2.232 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)NCc1cscn1)c1cccs1 ZINC000051311754 354382895 /nfs/dbraw/zinc/38/28/95/354382895.db2.gz XLVCLIJICRAONG-NSHDSACASA-N 1 0 310.448 2.307 10 0 DEAERO COc1ncccc1CNC(=O)CC1CC[NH+](C(C)C)CC1 ZINC000065266752 354680627 /nfs/dbraw/zinc/68/06/27/354680627.db2.gz YEIWDGMVIXWHHS-UHFFFAOYSA-N 1 0 305.422 2.217 10 0 DEAERO CC(C)[NH+](CCNC(=O)c1ccc(-n2cncn2)cc1)C(C)C ZINC000066967998 354742178 /nfs/dbraw/zinc/74/21/78/354742178.db2.gz OYKSMTFFFMPKLC-UHFFFAOYSA-N 1 0 315.421 2.116 10 0 DEAERO CC(C)C[C@@H](C)[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000451033227 535270104 /nfs/dbraw/zinc/27/01/04/535270104.db2.gz ATYBAHLETMZYHD-ZIAGYGMSSA-N 1 0 302.484 2.215 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2cccn2C)CC1 ZINC000069434350 354864985 /nfs/dbraw/zinc/86/49/85/354864985.db2.gz WRVPZNNXINIMNS-UHFFFAOYSA-N 1 0 312.417 2.419 10 0 DEAERO CC(C)C(=O)Nc1ccc(CNC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000236816707 202022996 /nfs/dbraw/zinc/02/29/96/202022996.db2.gz LQDRZBZWEUXIPQ-GJZGRUSLSA-N 1 0 303.406 2.025 10 0 DEAERO C[NH+](C)C1(CNC(=O)c2coc(Br)c2)CCC1 ZINC000383356076 540124477 /nfs/dbraw/zinc/12/44/77/540124477.db2.gz VLPSWLJZZMHDAW-UHFFFAOYSA-N 1 0 301.184 2.256 10 0 DEAERO Cn1ccnc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)c1=O ZINC000078256777 355250148 /nfs/dbraw/zinc/25/01/48/355250148.db2.gz WEQIACZDIFOZCJ-HZPDHXFCSA-N 1 0 312.417 2.275 10 0 DEAERO C[N@@H+](Cc1ccc(CO)cc1)C[C@@H]1CCCN1c1cccnn1 ZINC000364977360 283108152 /nfs/dbraw/zinc/10/81/52/283108152.db2.gz GKWCDNAJNOTLDK-KRWDZBQOSA-N 1 0 312.417 2.070 10 0 DEAERO CC(C)[C@H]([NH3+])C(=O)N1CC[C@]2(CC[C@H](CBr)C2)C1 ZINC000095087991 355696164 /nfs/dbraw/zinc/69/61/64/355696164.db2.gz TYDGVJSORRQXLJ-OBJOEFQTSA-N 1 0 317.271 2.383 10 0 DEAERO C[C@H](CCCO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000094943810 355696329 /nfs/dbraw/zinc/69/63/29/355696329.db2.gz BJMNSVXWQGECKC-MNOVXSKESA-N 1 0 322.232 2.484 10 0 DEAERO COc1cccc(CNC(=O)NCCC[NH2+]C2CCCCC2)n1 ZINC000129395716 355833979 /nfs/dbraw/zinc/83/39/79/355833979.db2.gz SJISMZSQTFDIAW-UHFFFAOYSA-N 1 0 320.437 2.202 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000370570530 283127362 /nfs/dbraw/zinc/12/73/62/283127362.db2.gz YFXYZKQWTILYNF-SJORKVTESA-N 1 0 302.418 2.322 10 0 DEAERO O[C@H](C[C@H]1C[NH2+]C[C@H](OCc2cccnc2)C1)c1cccnc1 ZINC000147200499 355911480 /nfs/dbraw/zinc/91/14/80/355911480.db2.gz GZDILEJWRZUBCD-CGTJXYLNSA-N 1 0 313.401 2.095 10 0 DEAERO COc1cc(Br)c([C@@H](O)[C@H]2CCC[NH2+]2)cc1OC ZINC000078597590 191892571 /nfs/dbraw/zinc/89/25/71/191892571.db2.gz CNELZUFPKXFULA-ZWNOBZJWSA-N 1 0 316.195 2.252 10 0 DEAERO Cc1ccccc1C1(CNC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000170687489 355992088 /nfs/dbraw/zinc/99/20/88/355992088.db2.gz PGZDNIAJYKMWKI-HNNXBMFYSA-N 1 0 301.434 2.420 10 0 DEAERO Cc1cccc(CN(Cc2cccc(C)n2)C(=O)C[NH2+]C2CC2)n1 ZINC000154682537 355944200 /nfs/dbraw/zinc/94/42/00/355944200.db2.gz RFPPZYUNHVGPIZ-UHFFFAOYSA-N 1 0 324.428 2.374 10 0 DEAERO C[C@H]([NH2+]CC(=O)Nc1nccs1)c1ccc2c(c1)OCO2 ZINC000182260447 356117173 /nfs/dbraw/zinc/11/71/73/356117173.db2.gz KIYOWUHSPOXPRG-VIFPVBQESA-N 1 0 305.359 2.161 10 0 DEAERO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182265841 356117787 /nfs/dbraw/zinc/11/77/87/356117787.db2.gz YZVVYSSQUXIGAN-SECBINFHSA-N 1 0 316.361 2.045 10 0 DEAERO CC(C)CN(CCC(N)=[NH2+])S(=O)(=O)CC1CCCCC1 ZINC000079800774 191973856 /nfs/dbraw/zinc/97/38/56/191973856.db2.gz SZYJLMWHANDACY-UHFFFAOYSA-N 1 0 303.472 2.181 10 0 DEAERO COc1ccc(C[C@@](C)(C[NH3+])N2CCSCC2)cc1OC ZINC000080182872 192010179 /nfs/dbraw/zinc/01/01/79/192010179.db2.gz XRYXVDMIJQDDMK-INIZCTEOSA-N 1 0 310.463 2.013 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)N(CC(N)=[NH2+])C2CCCC2)c1 ZINC000080224203 192013348 /nfs/dbraw/zinc/01/33/48/192013348.db2.gz XJEPREDQAKERGF-UHFFFAOYSA-N 1 0 309.435 2.173 10 0 DEAERO C[NH2+]Cc1ccn(CCOc2ccc(Br)cc2)n1 ZINC000080093885 192000992 /nfs/dbraw/zinc/00/09/92/192000992.db2.gz RNZGEGUUHDVMAH-UHFFFAOYSA-N 1 0 310.195 2.444 10 0 DEAERO CC[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1nccs1 ZINC000080269025 192018821 /nfs/dbraw/zinc/01/88/21/192018821.db2.gz BLAPGMILSLBAKD-KCJUWKMLSA-N 1 0 307.341 2.252 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1n[nH]nc1-c1ccccc1 ZINC000194203613 356235326 /nfs/dbraw/zinc/23/53/26/356235326.db2.gz CJODEMNZIMYIFG-AWEZNQCLSA-N 1 0 313.405 2.028 10 0 DEAERO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1cccc(Cl)c1F ZINC000226463672 356278855 /nfs/dbraw/zinc/27/88/55/356278855.db2.gz KARLBVGWIYAXEW-SNVBAGLBSA-N 1 0 320.817 2.242 10 0 DEAERO C[NH2+][C@@H](C)c1csc(N2CCN(CC(F)(F)F)CC2)n1 ZINC000080849775 192195612 /nfs/dbraw/zinc/19/56/12/192195612.db2.gz GCADNPKFTXJLBN-VIFPVBQESA-N 1 0 308.373 2.108 10 0 DEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cn3)C[C@H]2C1 ZINC000398753353 283150456 /nfs/dbraw/zinc/15/04/56/283150456.db2.gz XDHJQIHGBCJYIV-JTNHKYCSSA-N 1 0 311.223 2.437 10 0 DEAERO CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C(=O)OC(C)C ZINC000262442458 356341822 /nfs/dbraw/zinc/34/18/22/356341822.db2.gz BKRRPQXGAJWECM-WCVJEAGWSA-N 1 0 324.465 2.390 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400330755 283155519 /nfs/dbraw/zinc/15/55/19/283155519.db2.gz BTLJFJMHRZJHSC-SOUVJXGZSA-N 1 0 311.470 2.458 10 0 DEAERO C[C@@H]([NH2+]CC1(CCO)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400725584 283158431 /nfs/dbraw/zinc/15/84/31/283158431.db2.gz PIFONAUOZDNRGI-ZIAGYGMSSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@H]([NH2+]CCCCCO)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400710047 283158540 /nfs/dbraw/zinc/15/85/40/283158540.db2.gz DMNRRGONQLLFCD-UONOGXRCSA-N 1 0 300.443 2.384 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1nncn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400399498 283156500 /nfs/dbraw/zinc/15/65/00/283156500.db2.gz KFICWALKDICHII-AGIUHOORSA-N 1 0 323.441 2.111 10 0 DEAERO [NH3+]C[C@H]1CCO[C@H]1c1ccc(I)cc1 ZINC000306209783 356402751 /nfs/dbraw/zinc/40/27/51/356402751.db2.gz IKALTLLNLJNROU-KOLCDFICSA-N 1 0 303.143 2.328 10 0 DEAERO [NH3+]Cc1cc(C(F)(F)F)c(I)cn1 ZINC000306913869 356406484 /nfs/dbraw/zinc/40/64/84/356406484.db2.gz QAAJPAFVWXGOEA-UHFFFAOYSA-N 1 0 302.037 2.164 10 0 DEAERO C[C@@H]1CN[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C[NH2+]1 ZINC000307733897 356409191 /nfs/dbraw/zinc/40/91/91/356409191.db2.gz UCAGOTDVYANPQO-APWZRJJASA-N 1 0 323.440 2.165 10 0 DEAERO Brc1ccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)s1 ZINC000404284207 283165104 /nfs/dbraw/zinc/16/51/04/283165104.db2.gz WTHSUJONCCOBOP-QWRGUYRKSA-N 1 0 317.252 2.073 10 0 DEAERO O[C@H](CNc1cc(N[C@@H]2CCCOC2)ncn1)c1ccccc1 ZINC000328626264 356462808 /nfs/dbraw/zinc/46/28/08/356462808.db2.gz DYRYPNIUZYUMMT-HUUCEWRRSA-N 1 0 314.389 2.213 10 0 DEAERO CCc1ccc(C(=O)N(Cc2cccnc2)C[C@H]2CC[NH2+]C2)o1 ZINC000328627215 356463430 /nfs/dbraw/zinc/46/34/30/356463430.db2.gz FWEOOEQIYFEVRA-HNNXBMFYSA-N 1 0 313.401 2.489 10 0 DEAERO Cc1c([C@H]2OCC[C@@H]2[NH2+]C[C@@H](O)c2ccccc2F)cnn1C ZINC000328642212 356466033 /nfs/dbraw/zinc/46/60/33/356466033.db2.gz YGMRBPWJAQPBQE-GVDBMIGSSA-N 1 0 319.380 2.021 10 0 DEAERO CCC[NH2+]CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000236843179 202034468 /nfs/dbraw/zinc/03/44/68/202034468.db2.gz HPJCOHPYNFKIIF-IUODEOHRSA-N 1 0 303.406 2.011 10 0 DEAERO CCOc1ccc(SCC(=O)N2CCC([NH2+]C)CC2)cc1 ZINC000236866569 202043455 /nfs/dbraw/zinc/04/34/55/202043455.db2.gz IFUDLDQJLQKBAB-UHFFFAOYSA-N 1 0 308.447 2.388 10 0 DEAERO CC[NH+]1CCC(N(C)c2nnc(Br)s2)CC1 ZINC000081664265 192307627 /nfs/dbraw/zinc/30/76/27/192307627.db2.gz JLBRVZUOQKUAHX-UHFFFAOYSA-N 1 0 305.245 2.221 10 0 DEAERO COCC[C@@H](C)[NH2+]CC(=O)Nc1ccccc1Br ZINC000081713156 192316383 /nfs/dbraw/zinc/31/63/83/192316383.db2.gz REXALIWLBCEBCN-SNVBAGLBSA-N 1 0 315.211 2.402 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000236895217 202058942 /nfs/dbraw/zinc/05/89/42/202058942.db2.gz YMFVWEKZMGXZQR-LRDDRELGSA-N 1 0 305.422 2.393 10 0 DEAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000086025653 192545702 /nfs/dbraw/zinc/54/57/02/192545702.db2.gz WAJMMUXEODQVJR-QMTHXVAHSA-N 1 0 319.829 2.434 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2csc(Br)c2)C1 ZINC000382471319 356675648 /nfs/dbraw/zinc/67/56/48/356675648.db2.gz BQYAGKUZBNXKJS-IONNQARKSA-N 1 0 303.225 2.368 10 0 DEAERO CC[C@H]1CN(c2ncc(Br)cc2C#N)CC[C@@H]1[NH3+] ZINC000386097395 356694492 /nfs/dbraw/zinc/69/44/92/356694492.db2.gz JCTWOHMPSLJHGD-CABZTGNLSA-N 1 0 309.211 2.279 10 0 DEAERO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H](C)CC2)CC1 ZINC000086880560 192601176 /nfs/dbraw/zinc/60/11/76/192601176.db2.gz YVDLNAYWYOJCNR-UONOGXRCSA-N 1 0 302.484 2.359 10 0 DEAERO CC[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)C(=O)NC ZINC000578596142 356840601 /nfs/dbraw/zinc/84/06/01/356840601.db2.gz OMXSROSSIPKAOW-PSASIEDQSA-N 1 0 300.200 2.019 10 0 DEAERO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)sc1Br ZINC000087018497 192611668 /nfs/dbraw/zinc/61/16/68/192611668.db2.gz ACFVZRHKKVGTIM-QMMMGPOBSA-N 1 0 303.225 2.301 10 0 DEAERO CC1CCN(S(=O)(=O)c2ccc(Cl)c(C[NH3+])c2)CC1 ZINC000088905096 192651546 /nfs/dbraw/zinc/65/15/46/192651546.db2.gz IKVQRINQCNYGOH-UHFFFAOYSA-N 1 0 302.827 2.219 10 0 DEAERO CC[NH2+]Cc1ccc(F)c(S(=O)(=O)N(C)[C@H](C)CC)c1 ZINC000088949447 192666617 /nfs/dbraw/zinc/66/66/17/192666617.db2.gz MSDIWBWHQFWEGN-LLVKDONJSA-N 1 0 302.415 2.354 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)s1 ZINC000088926769 192658888 /nfs/dbraw/zinc/65/88/88/192658888.db2.gz KGRQPFMEIGQYRF-VXGBXAGGSA-N 1 0 316.492 2.462 10 0 DEAERO CCOc1ccc(S(=O)(=O)N(CC)C(C)C)cc1C[NH2+]C ZINC000088942079 192663292 /nfs/dbraw/zinc/66/32/92/192663292.db2.gz OYJXLCWZOLLMRN-UHFFFAOYSA-N 1 0 314.451 2.224 10 0 DEAERO CC(=O)c1cc(NC(=O)COC2CCC([NH3+])CC2)ccc1C ZINC000584730751 357299814 /nfs/dbraw/zinc/29/98/14/357299814.db2.gz UTVOAYLBIGDYCN-UHFFFAOYSA-N 1 0 304.390 2.423 10 0 DEAERO CC(C)(O)C[NH+]1CCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000588753497 357420859 /nfs/dbraw/zinc/42/08/59/357420859.db2.gz JQGLLKNZCFYSDT-UHFFFAOYSA-N 1 0 320.824 2.176 10 0 DEAERO C[N@@H+]1CC[C@@H](C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)C1 ZINC000591454151 357726398 /nfs/dbraw/zinc/72/63/98/357726398.db2.gz GIQFRWQUMUEZFD-CYBMUJFWSA-N 1 0 311.389 2.239 10 0 DEAERO CCn1nc(C)c(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1C ZINC000179548903 199053085 /nfs/dbraw/zinc/05/30/85/199053085.db2.gz WGVRZSCCJQXSRU-CQSZACIVSA-N 1 0 307.442 2.468 10 0 DEAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cnn4ccccc34)C2)no1 ZINC000179862323 199088695 /nfs/dbraw/zinc/08/86/95/199088695.db2.gz IQSYBMMDOSTRTC-AWEZNQCLSA-N 1 0 311.389 2.480 10 0 DEAERO CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000185055061 199802456 /nfs/dbraw/zinc/80/24/56/199802456.db2.gz CLRLGJSXHSTQPP-CABCVRRESA-N 1 0 302.422 2.064 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H]1c1ccccc1 ZINC000180127206 199120652 /nfs/dbraw/zinc/12/06/52/199120652.db2.gz SJJFSCBEECCNBQ-PBHICJAKSA-N 1 0 310.401 2.462 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(O)cc2)[C@@H]1c1ccccc1 ZINC000180129828 199121453 /nfs/dbraw/zinc/12/14/53/199121453.db2.gz ITGDFWKFMWBRHZ-HKUYNNGSSA-N 1 0 310.397 2.496 10 0 DEAERO CC(C)Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc(=O)[nH]1 ZINC000180182677 199128025 /nfs/dbraw/zinc/12/80/25/199128025.db2.gz POKFDBKKZDNGDB-MRXNPFEDSA-N 1 0 317.433 2.296 10 0 DEAERO Cc1ccc(-c2noc(NC[C@H](O)C[NH+]3CCCCC3)n2)cc1 ZINC000180224911 199133477 /nfs/dbraw/zinc/13/34/77/199133477.db2.gz TZCRWNVOGVRHKR-HNNXBMFYSA-N 1 0 316.405 2.304 10 0 DEAERO CS[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000593910556 358169938 /nfs/dbraw/zinc/16/99/38/358169938.db2.gz XNGVZIQGLBNVGG-GWOFURMSSA-N 1 0 310.385 2.175 10 0 DEAERO COc1ccnc(C[N@@H+]2CCC[C@H]2CN(C(C)=O)C2CC2)c1 ZINC000276666782 213033110 /nfs/dbraw/zinc/03/31/10/213033110.db2.gz YYLGPCGHNQKPIS-INIZCTEOSA-N 1 0 303.406 2.066 10 0 DEAERO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1OCC ZINC000180493792 199166009 /nfs/dbraw/zinc/16/60/09/199166009.db2.gz RIFUFQQIICTPPL-ZBFHGGJFSA-N 1 0 322.449 2.465 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)CCCC(=O)N3)C1 ZINC000594367617 358249984 /nfs/dbraw/zinc/24/99/84/358249984.db2.gz RIOFZILHSYNTJJ-CYBMUJFWSA-N 1 0 315.417 2.033 10 0 DEAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2nccs2)ncn1 ZINC000180570527 199177756 /nfs/dbraw/zinc/17/77/56/199177756.db2.gz MNXQSOBHOCVILK-NWDGAFQWSA-N 1 0 318.450 2.294 10 0 DEAERO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1OC ZINC000180606212 199183080 /nfs/dbraw/zinc/18/30/80/199183080.db2.gz RKHBFTAURRYPED-STQMWFEESA-N 1 0 316.405 2.269 10 0 DEAERO COc1ccc(C[C@@H](C)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000180613367 199185337 /nfs/dbraw/zinc/18/53/37/199185337.db2.gz SHBUUSLSHZSPDH-HIFRSBDPSA-N 1 0 320.433 2.093 10 0 DEAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000180787990 199209509 /nfs/dbraw/zinc/20/95/09/199209509.db2.gz SXXGBAFEYIACAK-KFWWJZLASA-N 1 0 321.469 2.243 10 0 DEAERO CCCn1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000180751341 199204009 /nfs/dbraw/zinc/20/40/09/199204009.db2.gz UQEHSRSYIFWBNL-QGZVFWFLSA-N 1 0 314.433 2.196 10 0 DEAERO COc1ccc(C(=O)NCCNc2cc[nH+]cc2)c(Cl)c1 ZINC000594848283 358347770 /nfs/dbraw/zinc/34/77/70/358347770.db2.gz UFOTUMHQJCFXBF-UHFFFAOYSA-N 1 0 305.765 2.007 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000181201201 199264976 /nfs/dbraw/zinc/26/49/76/199264976.db2.gz IVNJDUSLNVCHKM-PBHICJAKSA-N 1 0 319.449 2.106 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC(C)(C)CC2)s1 ZINC000089027102 192706295 /nfs/dbraw/zinc/70/62/95/192706295.db2.gz AUNSADHODKQIQP-UHFFFAOYSA-N 1 0 302.465 2.278 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000089050509 192721007 /nfs/dbraw/zinc/72/10/07/192721007.db2.gz ZKTZUEVYDJNPGL-KBPBESRZSA-N 1 0 310.463 2.258 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]CCc2ccccc2O)C12CCOCC2 ZINC000186307146 199941062 /nfs/dbraw/zinc/94/10/62/199941062.db2.gz XIZCDYMICYBQSY-SJORKVTESA-N 1 0 305.418 2.499 10 0 DEAERO Cc1nn(C)c(CN(C)[C@H]2CCC[C@@H]2C[NH3+])c1Br ZINC000089248019 192750651 /nfs/dbraw/zinc/75/06/51/192750651.db2.gz SOQUFIIOYPCNJG-MNOVXSKESA-N 1 0 315.259 2.050 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])COc2ccccc2)c1Br ZINC000089251335 192751233 /nfs/dbraw/zinc/75/12/33/192751233.db2.gz JVUYFKJDWMMEPM-NSHDSACASA-N 1 0 324.222 2.440 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@]1(C[NH2+]C)CCOC1 ZINC000089301371 192762097 /nfs/dbraw/zinc/76/20/97/192762097.db2.gz PJANXOLKRZTSNP-ZDUSSCGKSA-N 1 0 316.243 2.143 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@]1(C[NH3+])CCC[C@@H]1O ZINC000089306297 192763023 /nfs/dbraw/zinc/76/30/23/192763023.db2.gz PTSAZMCXDHDWJS-AAEUAGOBSA-N 1 0 316.243 2.006 10 0 DEAERO CCn1nc(C)c(Br)c1CN1CCC[C@@H](C[NH3+])C1 ZINC000089279362 192757854 /nfs/dbraw/zinc/75/78/54/192757854.db2.gz RXJJBUAEQAXJRW-NSHDSACASA-N 1 0 315.259 2.145 10 0 DEAERO CC[NH2+][C@H](COC)Cc1c(Br)c(CC)nn1CC ZINC000089359361 192773539 /nfs/dbraw/zinc/77/35/39/192773539.db2.gz KMZQTMIMJJRNSH-JTQLQIEISA-N 1 0 318.259 2.395 10 0 DEAERO CCCCCCOC[C@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1CO ZINC000089528360 192810265 /nfs/dbraw/zinc/81/02/65/192810265.db2.gz XIFHZBYBXCZNGJ-GVDBMIGSSA-N 1 0 301.471 2.333 10 0 DEAERO CCC[NH2+]CC1(CN2CCS(=O)CC2)CCCCCC1 ZINC000089564313 192816988 /nfs/dbraw/zinc/81/69/88/192816988.db2.gz GSUVOOVKSGFFHT-UHFFFAOYSA-N 1 0 300.512 2.391 10 0 DEAERO CC(C)C[NH2+]C[C@]1(CN2CCS(=O)CC2)CCC[C@H](C)C1 ZINC000089618849 192826913 /nfs/dbraw/zinc/82/69/13/192826913.db2.gz HSOHEZQMMHPJIQ-IRXDYDNUSA-N 1 0 314.539 2.493 10 0 DEAERO C[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC1(CO)CC1 ZINC000186783849 200010725 /nfs/dbraw/zinc/01/07/25/200010725.db2.gz LXVKUFOCZNRCJX-AWEZNQCLSA-N 1 0 317.351 2.313 10 0 DEAERO Cc1ccc(N2CCC[C@H]([N@H+](C)CC3(CO)CC3)C2=O)cc1 ZINC000186800676 200012872 /nfs/dbraw/zinc/01/28/72/200012872.db2.gz CCCJCMSQGBHZTI-INIZCTEOSA-N 1 0 302.418 2.195 10 0 DEAERO Cc1cnc([C@@H](C)CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000187088488 200058960 /nfs/dbraw/zinc/05/89/60/200058960.db2.gz 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200357137 /nfs/dbraw/zinc/35/71/37/200357137.db2.gz MULQOPXUWLAKLP-DZGCQCFKSA-N 1 0 310.463 2.453 10 0 DEAERO CO[C@H]1C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC[C@H]1C ZINC000189306813 200379745 /nfs/dbraw/zinc/37/97/45/200379745.db2.gz RLTPXUOSMKHIBG-RISCZKNCSA-N 1 0 321.808 2.205 10 0 DEAERO CO[C@H]1C[N@H+](CC(=O)NCc2ccc(Cl)cc2)CC[C@H]1C ZINC000189328024 200382194 /nfs/dbraw/zinc/38/21/94/200382194.db2.gz GBNRCORDMJCMMS-DOMZBBRYSA-N 1 0 310.825 2.313 10 0 DEAERO OCCC1([NH2+]Cc2nncn2-c2ccccc2)CCCCC1 ZINC000444670438 238236545 /nfs/dbraw/zinc/23/65/45/238236545.db2.gz XUPBWXCGFICUKU-UHFFFAOYSA-N 1 0 300.406 2.442 10 0 DEAERO C[C@@H](CO)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000608498645 361227938 /nfs/dbraw/zinc/22/79/38/361227938.db2.gz XIXNPBWEJJOTIB-LLVKDONJSA-N 1 0 302.212 2.388 10 0 DEAERO O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCC(C2CCCC2)CC1 ZINC000608501898 361229061 /nfs/dbraw/zinc/22/90/61/361229061.db2.gz COFBIUXVVJMDQQ-QZTJIDSGSA-N 1 0 311.466 2.445 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NCCCCn2ccnc2)CC1 ZINC000608646997 361244773 /nfs/dbraw/zinc/24/47/73/361244773.db2.gz FWBSPCNAIWYERY-UHFFFAOYSA-N 1 0 321.469 2.085 10 0 DEAERO C[C@H]([NH3+])CCC(=O)NCCc1cc(Br)ccc1F ZINC000193213694 201007409 /nfs/dbraw/zinc/00/74/09/201007409.db2.gz YKCFWPFESWRXKF-VIFPVBQESA-N 1 0 317.202 2.374 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)NCCOc1ccccc1C(F)(F)F ZINC000193245210 201012364 /nfs/dbraw/zinc/01/23/64/201012364.db2.gz SMYRYZCVKUMBLC-SNVBAGLBSA-N 1 0 304.312 2.328 10 0 DEAERO CC(C)[C@H](NC(=O)CC[C@@H](C)[NH3+])c1nc(-c2cccnc2)no1 ZINC000193308141 201025559 /nfs/dbraw/zinc/02/55/59/201025559.db2.gz MSMIBKASAXANRB-RISCZKNCSA-N 1 0 317.393 2.072 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000193400661 201045683 /nfs/dbraw/zinc/04/56/83/201045683.db2.gz AMIADQFTSHZNGA-BBRMVZONSA-N 1 0 310.463 2.161 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527662969 283686811 /nfs/dbraw/zinc/68/68/11/283686811.db2.gz WTXOAATVBDQRMA-VIFPVBQESA-N 1 0 313.366 2.434 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000611311384 361578059 /nfs/dbraw/zinc/57/80/59/361578059.db2.gz MBYAKEMCVACQFM-HUUCEWRRSA-N 1 0 324.465 2.299 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NCCC[NH+]2CCCCCC2)n1 ZINC000620064147 363945766 /nfs/dbraw/zinc/94/57/66/363945766.db2.gz DVJMTWLTNLAWAA-MRXNPFEDSA-N 1 0 306.454 2.443 10 0 DEAERO COC(=O)C1CCC(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000179472528 283750346 /nfs/dbraw/zinc/75/03/46/283750346.db2.gz QZANQAXSLJCQHI-UHFFFAOYSA-N 1 0 324.465 2.345 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)ccn1 ZINC000628476914 366862523 /nfs/dbraw/zinc/86/25/23/366862523.db2.gz WEPUNBZTUJGUKK-BDXSIMOUSA-N 1 0 301.434 2.061 10 0 DEAERO C[NH+](C)C1CC(NC(=O)c2ccc(F)c(Br)c2)C1 ZINC000622009153 364633820 /nfs/dbraw/zinc/63/38/20/364633820.db2.gz LRPZVHNTNITIPS-UHFFFAOYSA-N 1 0 315.186 2.411 10 0 DEAERO CCOC(=O)c1cc(C[NH2+]C[C@H](CO)c2ccccc2)[nH]c1C ZINC000449176436 240153264 /nfs/dbraw/zinc/15/32/64/240153264.db2.gz SUTGRXICECXOIO-OAHLLOKOSA-N 1 0 316.401 2.366 10 0 DEAERO CS(=O)(=O)c1cccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000449245897 240243722 /nfs/dbraw/zinc/24/37/22/240243722.db2.gz CPWAFXJWCRYSDT-KRWDZBQOSA-N 1 0 323.458 2.481 10 0 DEAERO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000623710756 365140240 /nfs/dbraw/zinc/14/02/40/365140240.db2.gz MTMOCFBOQPQDRR-NSHDSACASA-N 1 0 317.202 2.008 10 0 DEAERO CCN(Cc1cccs1)[C@H](C[NH3+])CC(=O)N1CCCCC1 ZINC000091325266 193039854 /nfs/dbraw/zinc/03/98/54/193039854.db2.gz NFFQCXRFQOGRHP-AWEZNQCLSA-N 1 0 309.479 2.300 10 0 DEAERO c1ccc2c(c1)CO[C@H](C[NH2+]C1CCN(c3cnccn3)CC1)C2 ZINC000624054804 365269098 /nfs/dbraw/zinc/26/90/98/365269098.db2.gz NTRQPHXGZHAAQV-SFHVURJKSA-N 1 0 324.428 2.177 10 0 DEAERO Cc1nc(NC(=O)[C@H](C[NH3+])C(C)C)ccc1Br ZINC000091507333 193067332 /nfs/dbraw/zinc/06/73/32/193067332.db2.gz HADABNCGNUYPGH-SECBINFHSA-N 1 0 300.200 2.322 10 0 DEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)[C@@](C)(CC)N(C)C ZINC000091571697 193074387 /nfs/dbraw/zinc/07/43/87/193074387.db2.gz VXKZPOJSVKBPMJ-HUUCEWRRSA-N 1 0 306.516 2.300 10 0 DEAERO CC[NH2+]CC[C@](C)(O)Cc1c(Br)c(C)nn1CC ZINC000091466079 193059576 /nfs/dbraw/zinc/05/95/76/193059576.db2.gz ROZDXKXMMYMVMB-ZDUSSCGKSA-N 1 0 318.259 2.267 10 0 DEAERO Cc1cc([C@H](CO)N2CCC[NH2+]CC2)ccc1Br ZINC000091474039 193061337 /nfs/dbraw/zinc/06/13/37/193061337.db2.gz SAXHVIMJYPLEFZ-AWEZNQCLSA-N 1 0 313.239 2.086 10 0 DEAERO Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC000091481321 193061952 /nfs/dbraw/zinc/06/19/52/193061952.db2.gz ZGAIZAMZVSLVNQ-JTQLQIEISA-N 1 0 308.325 2.117 10 0 DEAERO O=C1N(Cc2c(F)cccc2Cl)CCN1C1CC[NH2+]CC1 ZINC000091501730 193064856 /nfs/dbraw/zinc/06/48/56/193064856.db2.gz CQNFGFMNQJWRRW-UHFFFAOYSA-N 1 0 311.788 2.469 10 0 DEAERO Cn1c2ccccc2nc1-c1csc([C@H]2C[NH2+]CCO2)n1 ZINC000091499820 193065151 /nfs/dbraw/zinc/06/51/51/193065151.db2.gz DKMCDFWNRULWPE-CYBMUJFWSA-N 1 0 300.387 2.358 10 0 DEAERO COc1ccc(Cl)cc1C[C@H](O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091715103 193097517 /nfs/dbraw/zinc/09/75/17/193097517.db2.gz FFWIPJQZKBYDNG-YCPHGPKFSA-N 1 0 311.809 2.115 10 0 DEAERO O=C1[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)CCN1C1CCC1 ZINC000624344334 365387932 /nfs/dbraw/zinc/38/79/32/365387932.db2.gz IZOAMYRRMMRIQR-VJFUWPCTSA-N 1 0 314.429 2.477 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000091869963 193121223 /nfs/dbraw/zinc/12/12/23/193121223.db2.gz HYNWZHIFEDRENP-UHFFFAOYSA-N 1 0 310.463 2.455 10 0 DEAERO CC[C@H](C[NH3+])[C@H](O)c1cc(OC)c(OC)cc1Br ZINC000091908928 193124819 /nfs/dbraw/zinc/12/48/19/193124819.db2.gz QBNSDBNFPZLEGL-OQPBUACISA-N 1 0 318.211 2.485 10 0 DEAERO COc1ccc([C@@H](O)C2(C[NH3+])CCOCC2)c(Cl)c1OC ZINC000091912696 193125404 /nfs/dbraw/zinc/12/54/04/193125404.db2.gz ZDEFBLJGHDYVNG-CQSZACIVSA-N 1 0 315.797 2.146 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccsc1Br ZINC000449825023 241132251 /nfs/dbraw/zinc/13/22/51/241132251.db2.gz OACHEMIYQURKBE-QMMMGPOBSA-N 1 0 303.225 2.335 10 0 DEAERO O=C(NC1CC([NH+]2CCCCC2)C1)c1noc2c1CCCC2 ZINC000330101579 283917673 /nfs/dbraw/zinc/91/76/73/283917673.db2.gz IDIJZOQGZUCKJI-UHFFFAOYSA-N 1 0 303.406 2.300 10 0 DEAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000629586411 367263575 /nfs/dbraw/zinc/26/35/75/367263575.db2.gz RFCTXZKEWOFCMA-WBVHZDCISA-N 1 0 321.417 2.035 10 0 DEAERO CO[C@@H]1C[C@H]([NH2+]Cc2c(Br)cnn2C)C1(C)C ZINC000310120576 145351455 /nfs/dbraw/zinc/35/14/55/145351455.db2.gz ABSOHOBOOVSJFF-WDEREUQCSA-N 1 0 302.216 2.086 10 0 DEAERO CO[C@H]1CN(C(=O)c2cccc(Cl)c2F)[C@@](C)(C[NH3+])C1 ZINC000630376447 367618941 /nfs/dbraw/zinc/61/89/41/367618941.db2.gz WGSWHGQCTWDTPT-YMTOWFKASA-N 1 0 300.761 2.057 10 0 DEAERO C/C=C\C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(=O)OCC ZINC000450915896 242387583 /nfs/dbraw/zinc/38/75/83/242387583.db2.gz QHNHUGPXZUMKME-ZQMJAJRESA-N 1 0 310.438 2.121 10 0 DEAERO c1c(-c2cccc(NCc3ccncc3)c2)nnn1[C@@H]1CC[NH2+]C1 ZINC000630596819 367747508 /nfs/dbraw/zinc/74/75/08/367747508.db2.gz SQUFDMUPBGPNIK-QGZVFWFLSA-N 1 0 320.400 2.487 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)ccc1Cl ZINC000092113535 193161067 /nfs/dbraw/zinc/16/10/67/193161067.db2.gz YNJORLAKJBOKPN-QWRGUYRKSA-N 1 0 316.854 2.336 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C)cc2F)C1 ZINC000092115713 193162956 /nfs/dbraw/zinc/16/29/56/193162956.db2.gz RAQQXALJPAWSNH-LBPRGKRZSA-N 1 0 314.426 2.356 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)c2ccccc2)c(F)c1 ZINC000092115483 193163208 /nfs/dbraw/zinc/16/32/08/193163208.db2.gz CPQXXNUUKQDLIV-UHFFFAOYSA-N 1 0 308.378 2.370 10 0 DEAERO CCCCN(C1CC1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115910 193163795 /nfs/dbraw/zinc/16/37/95/193163795.db2.gz WPHNJULFBIBSLP-UHFFFAOYSA-N 1 0 300.399 2.238 10 0 DEAERO c1c(C2CC2)nn2ccnc(N3CCN(c4cc[nH+]cc4)CC3)c12 ZINC000631047986 367986709 /nfs/dbraw/zinc/98/67/09/367986709.db2.gz RYAQANCCZCVYLB-UHFFFAOYSA-N 1 0 320.400 2.328 10 0 DEAERO C[N@H+](CC(=O)Nc1c(Cl)cc(N)cc1Cl)CC(C)(C)O ZINC000092958149 193189077 /nfs/dbraw/zinc/18/90/77/193189077.db2.gz UMDBUJGNCPAGDN-UHFFFAOYSA-N 1 0 320.220 2.217 10 0 DEAERO COCC1(CNC(=O)[C@H]2C[C@H]2c2ccccc2C)CC[NH2+]CC1 ZINC000261838590 203129573 /nfs/dbraw/zinc/12/95/73/203129573.db2.gz ZVBJVHZCDJCXJH-IRXDYDNUSA-N 1 0 316.445 2.231 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000262112102 203202740 /nfs/dbraw/zinc/20/27/40/203202740.db2.gz HOVZJFRDJVKPTH-OAHLLOKOSA-N 1 0 321.812 2.436 10 0 DEAERO Cc1ncsc1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000093148088 193208414 /nfs/dbraw/zinc/20/84/14/193208414.db2.gz LSBZYKMKXPPLDP-HNNXBMFYSA-N 1 0 308.495 2.053 10 0 DEAERO O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000262165237 203216153 /nfs/dbraw/zinc/21/61/53/203216153.db2.gz JNOSYACTMZZSSC-DZGCQCFKSA-N 1 0 308.809 2.034 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(O)c(Br)c1 ZINC000262169241 203217857 /nfs/dbraw/zinc/21/78/57/203217857.db2.gz WWWTYJOCENWOLZ-CYBMUJFWSA-N 1 0 315.211 2.288 10 0 DEAERO O=C(CC[C@H]1CC[NH2+]C1)N1CCC(Oc2ccccc2)CC1 ZINC000262293137 203251903 /nfs/dbraw/zinc/25/19/03/203251903.db2.gz NLGOKGMJKXWUPR-HNNXBMFYSA-N 1 0 302.418 2.446 10 0 DEAERO CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262370111 203276247 /nfs/dbraw/zinc/27/62/47/203276247.db2.gz LVVOETISUJNBCT-LMWOUKEDSA-N 1 0 308.397 2.406 10 0 DEAERO C[NH+]1CCC2(CC1)CC(=O)NC(=O)[C@H]2c1cccc(Cl)c1 ZINC000093170802 193210175 /nfs/dbraw/zinc/21/01/75/193210175.db2.gz MEPZDEDNXAQTGB-CQSZACIVSA-N 1 0 306.793 2.182 10 0 DEAERO CC(C)NS(=O)(=O)c1ccc(O[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093219636 193218595 /nfs/dbraw/zinc/21/85/95/193218595.db2.gz FUSRGNOCYYDSRJ-OCCSQVGLSA-N 1 0 312.435 2.022 10 0 DEAERO COCCN1C(=[NH2+])NC[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC000093380099 193241211 /nfs/dbraw/zinc/24/12/11/193241211.db2.gz KGPROVLOWMEIJU-CYBMUJFWSA-N 1 0 301.312 2.197 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)c(OC)c1 ZINC000093523158 193262794 /nfs/dbraw/zinc/26/27/94/193262794.db2.gz DFBSGODJSFZOES-NSHDSACASA-N 1 0 315.435 2.178 10 0 DEAERO C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(S(C)(=O)=O)nc1 ZINC000093514965 193263294 /nfs/dbraw/zinc/26/32/94/193263294.db2.gz WFFARQHKAORRGK-OLZOCXBDSA-N 1 0 311.451 2.208 10 0 DEAERO CCC1(CC)CN(CC(C)(C)S(C)(=O)=O)[C@@H](C(C)C)C[NH2+]1 ZINC000093525888 193263749 /nfs/dbraw/zinc/26/37/49/193263749.db2.gz LPDFMSSRVVWFKG-CQSZACIVSA-N 1 0 318.527 2.298 10 0 DEAERO CC(C)(CNC1=[NH+]C[C@H](c2ccccc2)S1)S(C)(=O)=O ZINC000093524730 193264404 /nfs/dbraw/zinc/26/44/04/193264404.db2.gz GRQRDACWOONUHI-GFCCVEGCSA-N 1 0 312.460 2.243 10 0 DEAERO NC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1cc(F)ccc1F ZINC000093629592 193276215 /nfs/dbraw/zinc/27/62/15/193276215.db2.gz CEOKZPRFLFASDL-LKFCYVNXSA-N 1 0 300.374 2.430 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]C2CCCCCCC2)C1 ZINC000093696109 193292045 /nfs/dbraw/zinc/29/20/45/193292045.db2.gz JXYMIFUDTLGYMF-CQSZACIVSA-N 1 0 302.484 2.361 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C)c1 ZINC000093699975 193294366 /nfs/dbraw/zinc/29/43/66/193294366.db2.gz MXBOXJMXUSXYRN-GOEBONIOSA-N 1 0 310.463 2.317 10 0 DEAERO CC[C@@](C)(C[NH2+]C(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701552 193294765 /nfs/dbraw/zinc/29/47/65/193294765.db2.gz NXTGNPSVIWXEEA-LSDHHAIUSA-N 1 0 304.500 2.462 10 0 DEAERO CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]([N@H+](CCOC)[C@@H](C)CC)C1 ZINC000093752190 193299209 /nfs/dbraw/zinc/29/92/09/193299209.db2.gz DLDJTQKGDFZUKH-SQWLQELKSA-N 1 0 300.443 2.109 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H](N(CC)CC(F)(F)F)C1 ZINC000093751289 193300217 /nfs/dbraw/zinc/30/02/17/193300217.db2.gz GEBCXJOTQRDNGA-WCQYABFASA-N 1 0 309.376 2.037 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](N(CC)CC(F)(F)F)C1 ZINC000093751290 193300790 /nfs/dbraw/zinc/30/07/90/193300790.db2.gz GEBCXJOTQRDNGA-AAEUAGOBSA-N 1 0 309.376 2.037 10 0 DEAERO COC(=O)[C@]1(N)CCC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093756680 193302233 /nfs/dbraw/zinc/30/22/33/193302233.db2.gz IPISGOAFRIKOGT-YPMHNXCESA-N 1 0 308.344 2.074 10 0 DEAERO COCC[NH2+]CC/C=C/Cc1c(Br)c(C)nn1C ZINC000093674394 193287158 /nfs/dbraw/zinc/28/71/58/193287158.db2.gz OJLFSKYWOMTHGD-SNAWJCMRSA-N 1 0 316.243 2.216 10 0 DEAERO CCOC[C@@H]1CC[N@H+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000093838852 193315213 /nfs/dbraw/zinc/31/52/13/193315213.db2.gz ARYAURAUOUNITE-CYBMUJFWSA-N 1 0 307.390 2.325 10 0 DEAERO COC(=O)[C@]1([NH3+])CC[C@@H](Sc2ncnc3ccccc32)C1 ZINC000093851635 193318690 /nfs/dbraw/zinc/31/86/90/193318690.db2.gz CMXDVKPOXDQWLM-BMIGLBTASA-N 1 0 303.387 2.145 10 0 DEAERO C[NH2+][C@]1(CO)CC[C@@H](Oc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000093859629 193319378 /nfs/dbraw/zinc/31/93/78/193319378.db2.gz QSJHRDSQNXDNOE-CAAJLBCPSA-N 1 0 311.250 2.264 10 0 DEAERO CC(C)[NH2+][C@@]1(CO)CC[C@H](Sc2nnc3ccccn32)C1 ZINC000093859904 193319697 /nfs/dbraw/zinc/31/96/97/193319697.db2.gz DAPJFKNIEHQWJV-WFASDCNBSA-N 1 0 306.435 2.103 10 0 DEAERO CC(C)[NH2+][C@]1(CO)CC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093859905 193319930 /nfs/dbraw/zinc/31/99/30/193319930.db2.gz DAPJFKNIEHQWJV-IUODEOHRSA-N 1 0 306.435 2.103 10 0 DEAERO CN(CC(C)(C)C[NH3+])c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000093874771 193322467 /nfs/dbraw/zinc/32/24/67/193322467.db2.gz OCAYZVPJBXLZNB-UHFFFAOYSA-N 1 0 324.368 2.401 10 0 DEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccccc1Cl ZINC000094023859 193339289 /nfs/dbraw/zinc/33/92/89/193339289.db2.gz QNQLSOOQTFGVTE-UHFFFAOYSA-N 1 0 316.854 2.350 10 0 DEAERO CC[NH2+][C@@H](CSC[C@@H](O)CO)C12CC3CC(CC(C3)C1)C2 ZINC000093962045 193331941 /nfs/dbraw/zinc/33/19/41/193331941.db2.gz GXCVPSFYLRMYQT-OXMYNTRUSA-N 1 0 313.507 2.267 10 0 DEAERO C[NH2+][C@@H](Cc1nc(-c2ccccc2)cs1)[C@@H]1COCCO1 ZINC000094256640 193355032 /nfs/dbraw/zinc/35/50/32/193355032.db2.gz ZWTHKOUATNHAKP-ZFWWWQNUSA-N 1 0 304.415 2.356 10 0 DEAERO CC[NH2+][C@H](c1ccccc1)[C@H](CC)N(C)CCS(C)(=O)=O ZINC000094298146 193357354 /nfs/dbraw/zinc/35/73/54/193357354.db2.gz FMZCQQPWCDLOKK-JKSUJKDBSA-N 1 0 312.479 2.092 10 0 DEAERO CC[NH2+][C@@H](c1ccccc1)[C@H](CC)N(C)CCS(C)(=O)=O ZINC000094298148 193357837 /nfs/dbraw/zinc/35/78/37/193357837.db2.gz FMZCQQPWCDLOKK-HOTGVXAUSA-N 1 0 312.479 2.092 10 0 DEAERO [NH3+]Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1CCCO ZINC000094334262 193360219 /nfs/dbraw/zinc/36/02/19/193360219.db2.gz IRSWKKCXFJPPOI-NSHDSACASA-N 1 0 303.328 2.300 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094340915 193361579 /nfs/dbraw/zinc/36/15/79/193361579.db2.gz YHOBOQNKAGUOLZ-SKDRFNHKSA-N 1 0 302.827 2.006 10 0 DEAERO CC[NH2+]Cc1cc(F)c(OC[C@H](O)COC(C)C)c(F)c1 ZINC000094346945 193363190 /nfs/dbraw/zinc/36/31/90/193363190.db2.gz ZRGVDPKLVMCYRI-GFCCVEGCSA-N 1 0 303.349 2.239 10 0 DEAERO CC(C)[NH2+]Cc1cc(F)c(O[C@@H](C)C(=O)N(C)C)c(F)c1 ZINC000094347509 193363646 /nfs/dbraw/zinc/36/36/46/193363646.db2.gz MSLIVEILFWQNAK-JTQLQIEISA-N 1 0 300.349 2.318 10 0 DEAERO Fc1ccc(-c2noc([C@@]3(C(F)(F)F)CC[NH2+]C3)n2)nc1 ZINC000094044117 193340827 /nfs/dbraw/zinc/34/08/27/193340827.db2.gz PHNXZERQIZTVOM-LLVKDONJSA-N 1 0 302.231 2.064 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638881 193387695 /nfs/dbraw/zinc/38/76/95/193387695.db2.gz UQXANVGGYBPPOF-KGLIPLIRSA-N 1 0 304.500 2.039 10 0 DEAERO CCC[NH2+]C1CCC(O)([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094645067 193389594 /nfs/dbraw/zinc/38/95/94/193389594.db2.gz VTCFIACQRBCXSU-CIDNJEQPSA-N 1 0 317.495 2.263 10 0 DEAERO CC(C)(C)[NH2+]Cc1cnn([C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000094644010 193389654 /nfs/dbraw/zinc/38/96/54/193389654.db2.gz ILHXQKOQNVHOER-KBPBESRZSA-N 1 0 313.467 2.300 10 0 DEAERO C[NH2+][C@H](C)c1c(C)nn([C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1C ZINC000094643988 193389786 /nfs/dbraw/zinc/38/97/86/193389786.db2.gz IMSHDHNJSMPGKM-DDTOSNHZSA-N 1 0 313.467 2.309 10 0 DEAERO C[NH2+]C[C@H](C)CN1c2ccc(C(F)(F)F)cc2C(=O)C1=O ZINC000094658017 193390711 /nfs/dbraw/zinc/39/07/11/193390711.db2.gz WIFQFXJBOSLINC-QMMMGPOBSA-N 1 0 300.280 2.090 10 0 DEAERO COC(=O)C1(Nc2ccc(Cl)c(Br)c2)C[NH2+]C1 ZINC000094669854 193390912 /nfs/dbraw/zinc/39/09/12/193390912.db2.gz ZDXGFYFTTRJKJU-UHFFFAOYSA-N 1 0 319.586 2.029 10 0 DEAERO NC(=O)C1CCC([NH2+][C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094368819 193366496 /nfs/dbraw/zinc/36/64/96/193366496.db2.gz OGRIDHZKSSSQFR-RUXDESIVSA-N 1 0 312.479 2.065 10 0 DEAERO CC(C)[C@@H]1CN(CCCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094420463 193368805 /nfs/dbraw/zinc/36/88/05/193368805.db2.gz SMLYAXAIJHOOGH-HNNXBMFYSA-N 1 0 310.463 2.056 10 0 DEAERO CC[C@H](C)[C@H]1CN(CCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094420610 193368924 /nfs/dbraw/zinc/36/89/24/193368924.db2.gz ZMMZQLBPBIYYHY-DZGCQCFKSA-N 1 0 310.463 2.056 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)[C@H]1CCOC2(CCSCC2)C1 ZINC000094418784 193369175 /nfs/dbraw/zinc/36/91/75/193369175.db2.gz QQWFGJVRFPEJSS-LSDHHAIUSA-N 1 0 317.495 2.056 10 0 DEAERO Cc1cc(C(=O)NC[C@@H](C)[NH+](C)C)sc1Br ZINC000094494330 193374038 /nfs/dbraw/zinc/37/40/38/193374038.db2.gz VXTNMSHGLVMGEU-MRVPVSSYSA-N 1 0 305.241 2.499 10 0 DEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)[C@@H]1CSCCS1 ZINC000094498044 193374913 /nfs/dbraw/zinc/37/49/13/193374913.db2.gz ZTYQCVJKPKTQGD-NEPJUHHUSA-N 1 0 311.538 2.028 10 0 DEAERO C[NH2+][C@H](Cc1c(Cl)cccc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094509038 193375599 /nfs/dbraw/zinc/37/55/99/193375599.db2.gz XFTYKRDXUVTDOK-CABCVRRESA-N 1 0 314.260 2.124 10 0 DEAERO CCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094510757 193376030 /nfs/dbraw/zinc/37/60/30/193376030.db2.gz CIGLTSIMPSLQMV-SJORKVTESA-N 1 0 307.869 2.251 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)c3cccnc23)O1 ZINC000094567379 193380528 /nfs/dbraw/zinc/38/05/28/193380528.db2.gz INMHHGCABAGNLH-TVQRCGJNSA-N 1 0 305.765 2.333 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3nccs3)c2)O1 ZINC000094567506 193380552 /nfs/dbraw/zinc/38/05/52/193380552.db2.gz PULOQUQJXYAQSM-QWHCGFSZSA-N 1 0 303.387 2.255 10 0 DEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1nc2c(Br)cccn2n1 ZINC000094608470 193384633 /nfs/dbraw/zinc/38/46/33/193384633.db2.gz SEGVGHFAKDGGBM-ZJUUUORDSA-N 1 0 324.226 2.055 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H]([NH3+])[C@]1(C)CCCO1 ZINC000094782582 193397975 /nfs/dbraw/zinc/39/79/75/193397975.db2.gz BIUIZCAKXHOUJT-YPMHNXCESA-N 1 0 316.243 2.413 10 0 DEAERO c1ncc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)s1 ZINC000274969378 212049651 /nfs/dbraw/zinc/04/96/51/212049651.db2.gz VXIYNYZFORQSPJ-UHFFFAOYSA-N 1 0 303.435 2.451 10 0 DEAERO O=C(N[C@H]1CCOc2c(F)cccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000191021863 284212190 /nfs/dbraw/zinc/21/21/90/284212190.db2.gz ZMQLDRVRXFBCRT-WFASDCNBSA-N 1 0 319.380 2.139 10 0 DEAERO CC(=O)NC[C@@H]1CCC2(CC[NH+](CCc3ccccc3)CC2)O1 ZINC000012051848 181725346 /nfs/dbraw/zinc/72/53/46/181725346.db2.gz AMDDSUSPMYFHPD-SFHVURJKSA-N 1 0 316.445 2.379 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(OC)c1 ZINC000097302496 193705694 /nfs/dbraw/zinc/70/56/94/193705694.db2.gz ICBCDGZIZOFMGC-GWCFXTLKSA-N 1 0 317.838 2.434 10 0 DEAERO O=S(=O)(Nc1cccc(OC(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000019995094 182175330 /nfs/dbraw/zinc/17/53/30/182175330.db2.gz XGPWEFYLXJKVBV-NSHDSACASA-N 1 0 324.324 2.079 10 0 DEAERO [NH3+]C[C@H](c1cccc(Br)c1)N1CCSCC1 ZINC000020257075 182199987 /nfs/dbraw/zinc/19/99/87/182199987.db2.gz UFPDDMAOOUFVBJ-GFCCVEGCSA-N 1 0 301.253 2.498 10 0 DEAERO CCCOc1ccccc1-c1nnc2sc(CC[NH3+])nn21 ZINC000020391769 182213823 /nfs/dbraw/zinc/21/38/23/182213823.db2.gz IVBLBIORCGMPOP-UHFFFAOYSA-N 1 0 303.391 2.143 10 0 DEAERO COCCn1ncc(Br)c1[C@@H]([NH3+])CSC(C)C ZINC000160078351 197384810 /nfs/dbraw/zinc/38/48/10/197384810.db2.gz LBEOCLKHWDGYPT-JTQLQIEISA-N 1 0 322.272 2.433 10 0 DEAERO Cc1ccc(COc2ccccc2CNCC[NH2+]CCO)cc1 ZINC000020873661 182251071 /nfs/dbraw/zinc/25/10/71/182251071.db2.gz SVHXOFLKZAMYTF-UHFFFAOYSA-N 1 0 314.429 2.246 10 0 DEAERO CN(Cc1ccc(C(N)=S)cc1F)CC1([NH+](C)C)CCC1 ZINC000097928048 193767601 /nfs/dbraw/zinc/76/76/01/193767601.db2.gz WTXGWUSSQRHJHM-UHFFFAOYSA-N 1 0 309.454 2.376 10 0 DEAERO C[N@@H+]1CCN(CCNC(=O)NCC2CCCCCC2)CC1(C)C ZINC000454909430 246249348 /nfs/dbraw/zinc/24/93/48/246249348.db2.gz KGBBQDCFLOQAIO-UHFFFAOYSA-N 1 0 324.513 2.282 10 0 DEAERO CCCOc1ccc(C(=O)OC[C@@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000025970898 182426824 /nfs/dbraw/zinc/42/68/24/182426824.db2.gz CNJAICHTXNOWGW-AWEZNQCLSA-N 1 0 309.406 2.381 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(F)cc1C ZINC000032073043 182633454 /nfs/dbraw/zinc/63/34/54/182633454.db2.gz QNJCMBOLEHPASS-LBPRGKRZSA-N 1 0 302.415 2.143 10 0 DEAERO C[NH+]1CCN([C@H](CNC(=O)C2CC2)c2ccccc2Cl)CC1 ZINC000036089707 182797370 /nfs/dbraw/zinc/79/73/70/182797370.db2.gz CZXKSCZMDXAENI-MRXNPFEDSA-N 1 0 321.852 2.155 10 0 DEAERO CCCCNC(=O)C[C@@H](CC(=O)OC)[NH2+]Cc1ccccc1 ZINC000036462264 182825531 /nfs/dbraw/zinc/82/55/31/182825531.db2.gz CQZYEMZOZNFFAK-HNNXBMFYSA-N 1 0 306.406 2.014 10 0 DEAERO Cc1nn(C)c(Cl)c1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000101688102 193835170 /nfs/dbraw/zinc/83/51/70/193835170.db2.gz VUSKSYWFLOXINC-UHFFFAOYSA-N 1 0 310.829 2.082 10 0 DEAERO C[C@H](C[NH2+]Cc1ccc(Br)cc1F)[S@](C)=O ZINC000159808988 197366587 /nfs/dbraw/zinc/36/65/87/197366587.db2.gz CJSAOKZXCOLHHC-VPTHRUTESA-N 1 0 308.216 2.445 10 0 DEAERO COc1ccc(/C=C\C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1O ZINC000492406259 249057696 /nfs/dbraw/zinc/05/76/96/249057696.db2.gz MCJSBMURFFFTEV-HYWNAFCQSA-N 1 0 316.401 2.109 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000040634270 183111520 /nfs/dbraw/zinc/11/15/20/183111520.db2.gz SPAPNYLKJMOGKM-WCQYABFASA-N 1 0 312.797 2.444 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(Br)cc2C)C1 ZINC000040629968 183110916 /nfs/dbraw/zinc/11/09/16/183110916.db2.gz PRMDUFBJMLSABK-JQWIXIFHSA-N 1 0 313.195 2.073 10 0 DEAERO CCOC(=O)c1nc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000040747195 183128704 /nfs/dbraw/zinc/12/87/04/183128704.db2.gz XOQKZFSZWFCRCF-QYJAPNMZSA-N 1 0 309.435 2.035 10 0 DEAERO C[C@@H]([NH3+])c1noc(-c2ccccc2I)n1 ZINC000041052262 183159638 /nfs/dbraw/zinc/15/96/38/183159638.db2.gz NLNFKNMBRJKOKD-ZCFIWIBFSA-N 1 0 315.114 2.361 10 0 DEAERO O=C(NCc1cc(Br)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000041069511 183162189 /nfs/dbraw/zinc/16/21/89/183162189.db2.gz TVDDTRAHRAHQLB-VIFPVBQESA-N 1 0 315.186 2.204 10 0 DEAERO CCC([NH3+])(CC)c1noc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000041151683 183178436 /nfs/dbraw/zinc/17/84/36/183178436.db2.gz AIGWLQDGHXNZQH-UHFFFAOYSA-N 1 0 309.391 2.114 10 0 DEAERO COc1cc(NCCN2CC[NH+](C)CC2)c(OC)cc1Cl ZINC000041566866 183203597 /nfs/dbraw/zinc/20/35/97/183203597.db2.gz MDJWYOCVYDUXDC-UHFFFAOYSA-N 1 0 313.829 2.017 10 0 DEAERO CCN(CCO)c1c2ccccc2[nH+]c(C)c1CC(=O)OC ZINC000041477978 183194029 /nfs/dbraw/zinc/19/40/29/183194029.db2.gz SJXCANQQRFOZEQ-UHFFFAOYSA-N 1 0 302.374 2.077 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cccc(C)c1C ZINC000041604067 183209550 /nfs/dbraw/zinc/20/95/50/183209550.db2.gz WSNYYLJHRNFIMN-ZDUSSCGKSA-N 1 0 305.422 2.088 10 0 DEAERO COC[C@H](C)NC(=O)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000042312291 183253520 /nfs/dbraw/zinc/25/35/20/183253520.db2.gz CNEZCSXZONCBQY-JTQLQIEISA-N 1 0 319.232 2.277 10 0 DEAERO CCN(CCOC)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000042492562 183276264 /nfs/dbraw/zinc/27/62/64/183276264.db2.gz LIVMIDLAFGXJAI-CYBMUJFWSA-N 1 0 301.228 2.417 10 0 DEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000042517703 183279265 /nfs/dbraw/zinc/27/92/65/183279265.db2.gz ZTHJWGFQOWEULB-GWCFXTLKSA-N 1 0 301.228 2.416 10 0 DEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)cn1C ZINC000042371346 183260369 /nfs/dbraw/zinc/26/03/69/183260369.db2.gz GOAIUJWGOJDJPK-SNVBAGLBSA-N 1 0 314.227 2.002 10 0 DEAERO [NH3+][C@@H](CN(CC(F)(F)F)C1CC1)c1ccc2c(c1)OCO2 ZINC000042748916 183304656 /nfs/dbraw/zinc/30/46/56/183304656.db2.gz YKXLZANZZJTEGW-NSHDSACASA-N 1 0 302.296 2.442 10 0 DEAERO CCN(CCO)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953987 183322044 /nfs/dbraw/zinc/32/20/44/183322044.db2.gz YBONPXBNQAEZCV-MFKMUULPSA-N 1 0 301.228 2.152 10 0 DEAERO CS(=O)(=O)c1ccc(O[C@@H](C[NH3+])c2cccc(F)c2)cc1 ZINC000042974197 183324914 /nfs/dbraw/zinc/32/49/14/183324914.db2.gz BHLKFSFPVZLEAH-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCCC[C@@H]1C(N)=O ZINC000043253716 183347972 /nfs/dbraw/zinc/34/79/72/183347972.db2.gz GPXUJZPRSXTTAS-KBVBSXBZSA-N 1 0 301.843 2.130 10 0 DEAERO COCCN(CCOC)[C@@H](c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000043252905 183348220 /nfs/dbraw/zinc/34/82/20/183348220.db2.gz ZMBAHFNRUOKGAO-GXFFZTMASA-N 1 0 306.859 2.385 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N(CC(N)=O)C(C)C ZINC000043253849 183348390 /nfs/dbraw/zinc/34/83/90/183348390.db2.gz DCPYARSVOUEUML-NOZJJQNGSA-N 1 0 303.859 2.376 10 0 DEAERO COCCN(C)[C@@H](c1ccc(Br)s1)[C@@H](C)[NH3+] ZINC000043261647 183349198 /nfs/dbraw/zinc/34/91/98/183349198.db2.gz VIYYLUQYOMEKNS-LDYMZIIASA-N 1 0 307.257 2.477 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(CCO)C1CC1 ZINC000043093303 183336582 /nfs/dbraw/zinc/33/65/82/183336582.db2.gz DWMOPBJHIXHOCT-YGRLFVJLSA-N 1 0 313.239 2.294 10 0 DEAERO COC(=O)[C@@H](C)Oc1c(Br)cccc1C[C@@H](C)[NH3+] ZINC000043631989 183376294 /nfs/dbraw/zinc/37/62/94/183376294.db2.gz VWTBOXJJMBRMPZ-RKDXNWHRSA-N 1 0 316.195 2.279 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N(CCC[NH3+])CC(C)C ZINC000043417002 183361226 /nfs/dbraw/zinc/36/12/26/183361226.db2.gz REGHLBIENJCPFX-UHFFFAOYSA-N 1 0 302.415 2.130 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N(C)CC(F)(F)F)OCCO2 ZINC000043901604 183389308 /nfs/dbraw/zinc/38/93/08/183389308.db2.gz NIWUAOJVLRWGQK-NEPJUHHUSA-N 1 0 310.360 2.144 10 0 DEAERO C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000044594633 183426477 /nfs/dbraw/zinc/42/64/77/183426477.db2.gz WECQWOHKTRLBJO-BBRMVZONSA-N 1 0 310.463 2.387 10 0 DEAERO CC[NH2+]CCN(C)CCOc1cccc(Br)c1 ZINC000045147303 183484303 /nfs/dbraw/zinc/48/43/03/183484303.db2.gz GFDHAKOSXAEJLF-UHFFFAOYSA-N 1 0 301.228 2.369 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1cc(N)ccc1Br ZINC000045622603 183519592 /nfs/dbraw/zinc/51/95/92/183519592.db2.gz OCBSRPWMQHLVGJ-UHFFFAOYSA-N 1 0 314.227 2.103 10 0 DEAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874074 194153871 /nfs/dbraw/zinc/15/38/71/194153871.db2.gz HSMDZXWWQVRMAQ-UONOGXRCSA-N 1 0 321.469 2.001 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(CCSc2ccc(F)cc2)C[C@H]1C ZINC000105912173 194169525 /nfs/dbraw/zinc/16/95/25/194169525.db2.gz UYOAFZFPYFIDKV-ZIAGYGMSSA-N 1 0 312.454 2.305 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2coc(-c3cccs3)n2)C1 ZINC000106023718 194180238 /nfs/dbraw/zinc/18/02/38/194180238.db2.gz AZURSUAYGDSLQI-LBPRGKRZSA-N 1 0 305.403 2.108 10 0 DEAERO CC(C)c1cccc(NC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000105927492 194173160 /nfs/dbraw/zinc/17/31/60/194173160.db2.gz HJIGVWUVCZSMIA-KRWDZBQOSA-N 1 0 319.449 2.011 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cn3ccccc3n2)C[C@H]1CC ZINC000106117144 194188131 /nfs/dbraw/zinc/18/81/31/194188131.db2.gz NVHMPOKSIUJLMS-QGZVFWFLSA-N 1 0 316.449 2.267 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000106392469 194206286 /nfs/dbraw/zinc/20/62/86/194206286.db2.gz NWQRKPJORXOAAO-WHWKNOJMSA-N 1 0 322.836 2.268 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000048666225 183675797 /nfs/dbraw/zinc/67/57/97/183675797.db2.gz LBWOKTHCUTZOEX-UHFFFAOYSA-N 1 0 316.854 2.363 10 0 DEAERO COc1ccc(Br)cc1C[C@H]([NH3+])c1ncccn1 ZINC000049599218 183746492 /nfs/dbraw/zinc/74/64/92/183746492.db2.gz RTHKRNNADQQEAF-NSHDSACASA-N 1 0 308.179 2.490 10 0 DEAERO Cc1ccc([C@H](C)NS(=O)(=O)C[C@H]2CCCC[NH2+]2)s1 ZINC000049631431 183749466 /nfs/dbraw/zinc/74/94/66/183749466.db2.gz LZKJCPDCMRKGEV-NWDGAFQWSA-N 1 0 302.465 2.179 10 0 DEAERO Cc1ccc([C@@H](C)NS(=O)(=O)C[C@H]2CCC[NH2+]C2)s1 ZINC000049645689 183751408 /nfs/dbraw/zinc/75/14/08/183751408.db2.gz PATKNTQACBMOIN-NEPJUHHUSA-N 1 0 302.465 2.037 10 0 DEAERO C[C@@H](NS(=O)(=O)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000049646088 183751870 /nfs/dbraw/zinc/75/18/70/183751870.db2.gz FOXHCEOHBDEUEN-SNVBAGLBSA-N 1 0 302.827 2.072 10 0 DEAERO CC(C)[C@@H](NS(=O)(=O)C[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000049646434 183752273 /nfs/dbraw/zinc/75/22/73/183752273.db2.gz FVCDIIDUBBLJSC-TZMCWYRMSA-N 1 0 316.492 2.364 10 0 DEAERO CN(C1(C[NH3+])CCCCC1)S(=O)(=O)CC1CCCCC1 ZINC000050092724 183772661 /nfs/dbraw/zinc/77/26/61/183772661.db2.gz MPKSHQLAQQPLNO-UHFFFAOYSA-N 1 0 302.484 2.490 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N1CCOCC[C@H]1C)c1ccco1 ZINC000374992465 284815791 /nfs/dbraw/zinc/81/57/91/284815791.db2.gz YMEUGONVAZYMHW-HUUCEWRRSA-N 1 0 323.437 2.483 10 0 DEAERO CC(C)c1ncc(Cl)c(C(=O)N[C@H](C)C[NH+]2CCCC2)n1 ZINC000050367102 183783325 /nfs/dbraw/zinc/78/33/25/183783325.db2.gz YOZFKFXLUJMHFC-LLVKDONJSA-N 1 0 310.829 2.468 10 0 DEAERO Cc1ccc(-n2nnnc2C[NH2+]C(C)C)cc1Br ZINC000109437364 194263301 /nfs/dbraw/zinc/26/33/01/194263301.db2.gz LPBOVKUXCNICGJ-UHFFFAOYSA-N 1 0 310.199 2.231 10 0 DEAERO C[C@H](C[NH3+])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000109453986 194265136 /nfs/dbraw/zinc/26/51/36/194265136.db2.gz BKHLHNVIZXUSSC-SECBINFHSA-N 1 0 322.762 2.223 10 0 DEAERO COc1ccccc1C[C@@H](CCS(C)(=O)=O)C[NH2+]C(C)C ZINC000052980383 183882841 /nfs/dbraw/zinc/88/28/41/183882841.db2.gz OSFZQOAXRYCGQG-CQSZACIVSA-N 1 0 313.463 2.287 10 0 DEAERO CC(C)OCCC[NH2+]CCn1cc(Br)ccc1=O ZINC000053523078 183905014 /nfs/dbraw/zinc/90/50/14/183905014.db2.gz KOILIIOXGRVZMP-UHFFFAOYSA-N 1 0 317.227 2.016 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCNC(=O)C1(C)C ZINC000110653200 194346663 /nfs/dbraw/zinc/34/66/63/194346663.db2.gz UYJGPXDCKQIJAF-KGLIPLIRSA-N 1 0 309.841 2.329 10 0 DEAERO CS(=O)(=O)CCSc1ccc(C(F)(F)F)cc1C[NH3+] ZINC000111005446 194380739 /nfs/dbraw/zinc/38/07/39/194380739.db2.gz AZHNSFWHYRNIFU-UHFFFAOYSA-N 1 0 313.366 2.301 10 0 DEAERO COCCCN(CCOC)c1nc(C)c(C[NH2+]C(C)C)s1 ZINC000055000414 183957090 /nfs/dbraw/zinc/95/70/90/183957090.db2.gz ZMUNJORWHFYAMG-UHFFFAOYSA-N 1 0 315.483 2.439 10 0 DEAERO CCN[C@@](C)(C[C@@H](C)[N@H+](C)CCOC(C)C)C(=O)OCC ZINC000157527489 197194022 /nfs/dbraw/zinc/19/40/22/197194022.db2.gz JSCLCPAMERVPPO-ZBFHGGJFSA-N 1 0 302.459 2.053 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000061271233 184167211 /nfs/dbraw/zinc/16/72/11/184167211.db2.gz YRZSWSCXMPLFFK-MRVPVSSYSA-N 1 0 300.305 2.078 10 0 DEAERO Clc1nc(NCC[NH+]2CCCCC2)nc(N2CCCC2)n1 ZINC000061539596 184173794 /nfs/dbraw/zinc/17/37/94/184173794.db2.gz GYBMYBYJVMWLEC-UHFFFAOYSA-N 1 0 310.833 2.023 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1ccccc1F ZINC000061594336 184176140 /nfs/dbraw/zinc/17/61/40/184176140.db2.gz DKERCKLQZMHUCC-NWDGAFQWSA-N 1 0 310.398 2.301 10 0 DEAERO CCCn1c(S[C@@H](c2ccc(C)cc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594779 184176203 /nfs/dbraw/zinc/17/62/03/184176203.db2.gz KKJOYBLWKSVHJX-DGCLKSJQSA-N 1 0 306.435 2.470 10 0 DEAERO NNc1ccc(Cl)c(Cn2ccc(=O)c3ccccc32)[nH+]1 ZINC000061639204 184179905 /nfs/dbraw/zinc/17/99/05/184179905.db2.gz FIKFECZGCXPCNY-UHFFFAOYSA-N 1 0 300.749 2.384 10 0 DEAERO NNc1ccc(Cl)c(Cn2cc(Br)cn2)[nH+]1 ZINC000061639375 184180575 /nfs/dbraw/zinc/18/05/75/184180575.db2.gz SIXOVJCVZPVGNO-UHFFFAOYSA-N 1 0 302.563 2.028 10 0 DEAERO CC[C@@H](Oc1ccc(Br)cc1[C@@H](C)[NH2+]C)C(N)=O ZINC000061676073 184181963 /nfs/dbraw/zinc/18/19/63/184181963.db2.gz BJXHBNBKGDMTNX-LDYMZIIASA-N 1 0 315.211 2.372 10 0 DEAERO C[C@@]([NH2+]C1CC1)(C(N)=O)c1ccc(F)c(Br)c1 ZINC000061689305 184182746 /nfs/dbraw/zinc/18/27/46/184182746.db2.gz VBBPLLZCCQMEBV-LBPRGKRZSA-N 1 0 301.159 2.041 10 0 DEAERO O=C(Nc1cc(Br)ccc1Cl)[C@H]1C[NH2+]CCO1 ZINC000061692452 184183277 /nfs/dbraw/zinc/18/32/77/184183277.db2.gz PDAXPCVOQXJSLA-SNVBAGLBSA-N 1 0 319.586 2.029 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(Br)cn1 ZINC000061874424 184191736 /nfs/dbraw/zinc/19/17/36/184191736.db2.gz QNHVMBANYFHRFI-JTQLQIEISA-N 1 0 312.211 2.058 10 0 DEAERO CC1(C)CC[NH+](CC(=O)Nc2ccc(C(N)=S)cc2)CC1 ZINC000061820044 184188288 /nfs/dbraw/zinc/18/82/88/184188288.db2.gz LEWJSVWGFYUXAQ-UHFFFAOYSA-N 1 0 305.447 2.381 10 0 DEAERO [NH3+]Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000061841308 184189140 /nfs/dbraw/zinc/18/91/40/184189140.db2.gz WILBUUWMUALMHA-UHFFFAOYSA-N 1 0 310.806 2.277 10 0 DEAERO C[C@@H]1CN(c2nc3sccn3c2C[NH2+]C2CC2)CCCO1 ZINC000061920139 184195935 /nfs/dbraw/zinc/19/59/35/184195935.db2.gz KPUGZUDTGCUCHX-LLVKDONJSA-N 1 0 306.435 2.263 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000554724331 291778805 /nfs/dbraw/zinc/77/88/05/291778805.db2.gz CYXLSISRKBEYBZ-IRXDYDNUSA-N 1 0 322.474 2.442 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccsc1)N1CCN(CC(F)(F)F)CC1 ZINC000061940834 184197562 /nfs/dbraw/zinc/19/75/62/184197562.db2.gz BMFHYVDHFSVEOC-PWSUYJOCSA-N 1 0 307.385 2.316 10 0 DEAERO [NH3+][C@H](CCN1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000061947704 184198101 /nfs/dbraw/zinc/19/81/01/184198101.db2.gz MINSXJWZEJHNPZ-CQSZACIVSA-N 1 0 301.356 2.256 10 0 DEAERO C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000062010838 184201140 /nfs/dbraw/zinc/20/11/40/184201140.db2.gz OKPXWWACXRMZGD-BXUZGUMPSA-N 1 0 316.854 2.415 10 0 DEAERO C[C@H](C(=O)N(C)[C@@H](C)c1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000062028185 184202388 /nfs/dbraw/zinc/20/23/88/184202388.db2.gz KTIPMSKIGSSRFJ-QWHCGFSZSA-N 1 0 309.841 2.153 10 0 DEAERO Brc1ccc(Cc2noc([C@H]3CC[NH2+]C3)n2)cc1 ZINC000062119641 184206771 /nfs/dbraw/zinc/20/67/71/184206771.db2.gz VVJSXJCZSZVTSC-JTQLQIEISA-N 1 0 308.179 2.500 10 0 DEAERO C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000062190497 184217504 /nfs/dbraw/zinc/21/75/04/184217504.db2.gz FRUAPBDPFIGAGN-LLVKDONJSA-N 1 0 310.444 2.116 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1c1ccccc1 ZINC000062347797 184231436 /nfs/dbraw/zinc/23/14/36/184231436.db2.gz NMDPSBMINAYHKE-GDBMZVCRSA-N 1 0 317.433 2.029 10 0 DEAERO [NH3+]CCN1C(=O)S/C(=C/c2cc(F)c(F)c(F)c2)C1=O ZINC000062706337 184248864 /nfs/dbraw/zinc/24/88/64/184248864.db2.gz OJIWZBIDUCMQAP-WEVVVXLNSA-N 1 0 302.277 2.099 10 0 DEAERO CCOC(=O)[C@@H](C)Oc1ccc(C[NH2+]CCOC)cc1Cl ZINC000062730588 184251069 /nfs/dbraw/zinc/25/10/69/184251069.db2.gz RRJKDFHPFCMMMN-LLVKDONJSA-N 1 0 315.797 2.406 10 0 DEAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062854823 184256724 /nfs/dbraw/zinc/25/67/24/184256724.db2.gz JUFZZNCGRHFMRV-OAHLLOKOSA-N 1 0 310.781 2.455 10 0 DEAERO CC[C@]1(C(=O)Nc2cc(Cl)ccc2C(=O)OC)CC[NH2+]C1 ZINC000062892028 184258365 /nfs/dbraw/zinc/25/83/65/184258365.db2.gz DUSLUQGSWBOITN-HNNXBMFYSA-N 1 0 310.781 2.455 10 0 DEAERO CC[NH2+]CCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000062666479 184247125 /nfs/dbraw/zinc/24/71/25/184247125.db2.gz ZQDCKUQXLBJDNL-UHFFFAOYSA-N 1 0 314.304 2.196 10 0 DEAERO C[NH2+]Cc1ccc(O[C@@H](C)C(=O)OC)c(Br)c1 ZINC000062700739 184247594 /nfs/dbraw/zinc/24/75/94/184247594.db2.gz ZNKFVKYUYQAMGT-QMMMGPOBSA-N 1 0 302.168 2.109 10 0 DEAERO CC[NH2+]Cc1ccc(OC[C@@H](C)C(N)=O)c(Br)c1 ZINC000062701234 184247710 /nfs/dbraw/zinc/24/77/10/184247710.db2.gz HTXANVXPCPFUGW-SECBINFHSA-N 1 0 315.211 2.059 10 0 DEAERO Cn1cc(Br)cc1C(=O)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063211065 184278314 /nfs/dbraw/zinc/27/83/14/184278314.db2.gz WEQVZVMUWXPELJ-QWRGUYRKSA-N 1 0 314.227 2.177 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1F ZINC000063213656 184279013 /nfs/dbraw/zinc/27/90/13/184279013.db2.gz ABXIMJXUVKVXSM-QWRGUYRKSA-N 1 0 320.817 2.417 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(N)c(C(F)(F)F)c2)C1 ZINC000062984675 184264704 /nfs/dbraw/zinc/26/47/04/184264704.db2.gz ZTMNEBHAKAGJIX-JTQLQIEISA-N 1 0 301.312 2.064 10 0 DEAERO C[NH2+][C@H](CCCS(C)(=O)=O)Cc1c(F)cccc1Cl ZINC000063017387 184266920 /nfs/dbraw/zinc/26/69/20/184266920.db2.gz OKCNLNGZNFJMMY-SNVBAGLBSA-N 1 0 307.818 2.434 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)Cc1ccccc1OC ZINC000063017065 184266938 /nfs/dbraw/zinc/26/69/38/184266938.db2.gz AXGTXQJYQODGCR-OAHLLOKOSA-N 1 0 313.463 2.431 10 0 DEAERO CS(=O)(=O)CCCOc1ccc2ccccc2c1CC[NH3+] ZINC000063017517 184267164 /nfs/dbraw/zinc/26/71/64/184267164.db2.gz OJRDPELRBHGEKK-UHFFFAOYSA-N 1 0 307.415 2.155 10 0 DEAERO C[C@@H]1CCC[C@@H](SCc2nc3c(cnn3C)c(NN)[nH+]2)C1 ZINC000063084382 184269907 /nfs/dbraw/zinc/26/99/07/184269907.db2.gz LTOUAZOYMZBUMH-NXEZZACHSA-N 1 0 306.439 2.461 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 ZINC000063138685 184273256 /nfs/dbraw/zinc/27/32/56/184273256.db2.gz PGQZWVSWKCZPJD-ZDUSSCGKSA-N 1 0 314.426 2.224 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000063168273 184275693 /nfs/dbraw/zinc/27/56/93/184275693.db2.gz FUUJYMPGKPQVHM-VIFPVBQESA-N 1 0 308.856 2.164 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1CC(=O)NCc1ccccc1Cl ZINC000063168690 184275753 /nfs/dbraw/zinc/27/57/53/184275753.db2.gz ITNSTRJUUMRVHW-AWEZNQCLSA-N 1 0 309.841 2.030 10 0 DEAERO O=c1cc2c(nn1Cc1c(Cl)cccc1Cl)CC[NH2+]C2 ZINC000063169757 184275850 /nfs/dbraw/zinc/27/58/50/184275850.db2.gz QZZSGEFTRBHJPA-UHFFFAOYSA-N 1 0 310.184 2.244 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1Br ZINC000063174166 184276226 /nfs/dbraw/zinc/27/62/26/184276226.db2.gz BUYBYUVUQGPVNU-GHMZBOCLSA-N 1 0 301.159 2.198 10 0 DEAERO CCc1ncc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000554936448 291784059 /nfs/dbraw/zinc/78/40/59/291784059.db2.gz QRODCIMKHDZVMR-IUODEOHRSA-N 1 0 310.463 2.363 10 0 DEAERO CCCCNC(=O)c1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000066212117 184396865 /nfs/dbraw/zinc/39/68/65/184396865.db2.gz RHPBZCVDDDMGOD-UHFFFAOYSA-N 1 0 305.422 2.497 10 0 DEAERO CCN(CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1C ZINC000261700049 284954141 /nfs/dbraw/zinc/95/41/41/284954141.db2.gz IGUDSYFPOXLGLF-HZPDHXFCSA-N 1 0 303.450 2.313 10 0 DEAERO C[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccc(Br)c(F)c1 ZINC000161901391 197527187 /nfs/dbraw/zinc/52/71/87/197527187.db2.gz KJWOIPZDYBJXAK-QWHCGFSZSA-N 1 0 317.202 2.179 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1csc(-c2ncccc2F)n1 ZINC000538316751 285031341 /nfs/dbraw/zinc/03/13/41/285031341.db2.gz LTUJDUKKPVXBIX-UHFFFAOYSA-N 1 0 322.409 2.368 10 0 DEAERO CC1CCC([NH+]2CCN(Cc3nsc(N(C)C)n3)CC2)CC1 ZINC000119735549 195028632 /nfs/dbraw/zinc/02/86/32/195028632.db2.gz DKXBGFAIVIAFMI-UHFFFAOYSA-N 1 0 323.510 2.300 10 0 DEAERO CN1CCC[C@H]([N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)C1=O ZINC000539808528 285093761 /nfs/dbraw/zinc/09/37/61/285093761.db2.gz BSJUXOIXGAOOCO-KGLIPLIRSA-N 1 0 310.438 2.051 10 0 DEAERO CCC[C@H](CC[NH3+])CCC(=O)NCCCCOCCOC ZINC000159248581 197338580 /nfs/dbraw/zinc/33/85/80/197338580.db2.gz MZTDNDOEPTYLDX-HNNXBMFYSA-N 1 0 302.459 2.091 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000159173235 197332724 /nfs/dbraw/zinc/33/27/24/197332724.db2.gz ZUEHSMOTPZJDLN-OLZOCXBDSA-N 1 0 312.410 2.233 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1ccccc1OC(F)(F)F ZINC000159103117 197327551 /nfs/dbraw/zinc/32/75/51/197327551.db2.gz RKHJMSSCIKMQCF-VIFPVBQESA-N 1 0 306.284 2.278 10 0 DEAERO CC[NH2+][C@H](C[S@](=O)c1cc(F)ccc1F)[C@@H]1CCOC1 ZINC000159075503 197324831 /nfs/dbraw/zinc/32/48/31/197324831.db2.gz UTRFHZXTFQSYSS-REWMRKHYSA-N 1 0 303.374 2.087 10 0 DEAERO CCC[NH2+][C@H](C[S@@](=O)c1ccc(F)cc1F)[C@@H]1CCOC1 ZINC000159042578 197321498 /nfs/dbraw/zinc/32/14/98/197321498.db2.gz LHSOXTNWIHSBJH-DAKYAEBGSA-N 1 0 317.401 2.477 10 0 DEAERO COc1cccc(C(=O)N(C)CCC[NH+](C)C)c1OC(F)F ZINC000540516423 285119463 /nfs/dbraw/zinc/11/94/63/285119463.db2.gz VYDXFEBCGZRGRQ-UHFFFAOYSA-N 1 0 316.348 2.320 10 0 DEAERO CCC[NH2+][C@H](C)c1cccc(NC(=O)NCC[S@](C)=O)c1 ZINC000159016252 197318942 /nfs/dbraw/zinc/31/89/42/197318942.db2.gz DZMXDHCDXBPKHS-XUSGNXJCSA-N 1 0 311.451 2.247 10 0 DEAERO CCC[NH2+][C@@H](C)c1cccc(NC(=O)NCC[S@@](C)=O)c1 ZINC000159016374 197319014 /nfs/dbraw/zinc/31/90/14/197319014.db2.gz DZMXDHCDXBPKHS-QKVFXAPYSA-N 1 0 311.451 2.247 10 0 DEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)N2CCSC(C)(C)C2)cc1 ZINC000158873683 197307091 /nfs/dbraw/zinc/30/70/91/197307091.db2.gz DIOQFGCDCWAEIO-NSHDSACASA-N 1 0 314.476 2.222 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158838553 197305832 /nfs/dbraw/zinc/30/58/32/197305832.db2.gz JYSYQGFIXGHARH-KBPBESRZSA-N 1 0 305.422 2.327 10 0 DEAERO CC(C)(C)c1ccc(S(=O)(=O)C[C@@H]([NH3+])[C@H]2CCOC2)cc1 ZINC000158771545 197300387 /nfs/dbraw/zinc/30/03/87/197300387.db2.gz MCNIHVAMZNZRCR-SWLSCSKDSA-N 1 0 311.447 2.122 10 0 DEAERO CCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1C[NH3+] ZINC000158757043 197299159 /nfs/dbraw/zinc/29/91/59/197299159.db2.gz CJYZZWULWDMROO-KBPBESRZSA-N 1 0 308.447 2.128 10 0 DEAERO [NH3+][C@H](CS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000158741175 197298107 /nfs/dbraw/zinc/29/81/07/197298107.db2.gz UWWHAPMHUOJHQG-GZMMTYOYSA-N 1 0 324.229 2.131 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)c1ccc(C)c(C)c1)[C@H]1CCOC1 ZINC000158731559 197297317 /nfs/dbraw/zinc/29/73/17/197297317.db2.gz OJNUVCHBUKRZMB-GOEBONIOSA-N 1 0 311.447 2.092 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000158714930 197296380 /nfs/dbraw/zinc/29/63/80/197296380.db2.gz JXRAFVZOCSBSEL-SMDDNHRTSA-N 1 0 317.838 2.128 10 0 DEAERO C[NH2+][C@H]1C[C@@H](c2ccc(S(=O)(=O)CC(F)F)cc2)[C@@H]1C ZINC000158633791 197289942 /nfs/dbraw/zinc/28/99/42/197289942.db2.gz HBBUQVDGHCDJAJ-BIMULSAOSA-N 1 0 303.374 2.437 10 0 DEAERO O=S1CCC(NC2=[NH+][C@H](Cc3ccccc3)CS2)CC1 ZINC000158576420 197284406 /nfs/dbraw/zinc/28/44/06/197284406.db2.gz SMTJFWSTQDTTII-LQZXRHCMSA-N 1 0 308.472 2.201 10 0 DEAERO CN(Cc1cscn1)[C@H](C[NH3+])c1cn(C)nc1C(C)(C)C ZINC000158393736 197268382 /nfs/dbraw/zinc/26/83/82/197268382.db2.gz DYSVWKJKAPWBEX-CYBMUJFWSA-N 1 0 307.467 2.306 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000541100162 285154893 /nfs/dbraw/zinc/15/48/93/285154893.db2.gz CJVZAYIXGZBPCF-ZDUSSCGKSA-N 1 0 302.422 2.424 10 0 DEAERO C[C@H]([NH2+]C1CCS(=O)CC1)c1ccc2c(c1)OCCCO2 ZINC000158011139 197234683 /nfs/dbraw/zinc/23/46/83/197234683.db2.gz PRXYCAIESYDBOM-LTKVMPMFSA-N 1 0 309.431 2.410 10 0 DEAERO CC[C@H]1CN(S(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)CCS1 ZINC000157702129 197209169 /nfs/dbraw/zinc/20/91/69/197209169.db2.gz ORWMROGNQKCIPH-YPMHNXCESA-N 1 0 314.476 2.222 10 0 DEAERO C[C@](F)(Cc1cncc(Br)c1)C[C@H]1COCC[NH2+]1 ZINC000157668993 197207184 /nfs/dbraw/zinc/20/71/84/197207184.db2.gz BCKRHLCLXSHDOM-STQMWFEESA-N 1 0 317.202 2.493 10 0 DEAERO CCn1ncc(Br)c1[C@H](O)[C@](C)(CC)[NH+](C)C ZINC000157612018 197201363 /nfs/dbraw/zinc/20/13/63/197201363.db2.gz UAYRGPLNNQTYCB-RYUDHWBXSA-N 1 0 304.232 2.429 10 0 DEAERO C[C@](F)(C[C@H]1COCC[NH2+]1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000157634360 197203652 /nfs/dbraw/zinc/20/36/52/197203652.db2.gz AKGPDBADWKYGJU-ILXRZTDVSA-N 1 0 301.402 2.069 10 0 DEAERO CCC[NH+]1CCN(c2cc(Br)nc(CC)n2)CC1 ZINC000157535640 197195494 /nfs/dbraw/zinc/19/54/94/197195494.db2.gz GOIPDSMAJRFYHH-UHFFFAOYSA-N 1 0 313.243 2.334 10 0 DEAERO CS(=O)(=O)c1ccc(N[C@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000157305570 197178595 /nfs/dbraw/zinc/17/85/95/197178595.db2.gz MMLBPOQZNMNTJK-KGLIPLIRSA-N 1 0 303.387 2.042 10 0 DEAERO COc1cc(C[N@H+](C)CC2(O)CCOCC2)ccc1SC ZINC000157161051 197166710 /nfs/dbraw/zinc/16/67/10/197166710.db2.gz JNYLQYGVWCIYAA-UHFFFAOYSA-N 1 0 311.447 2.390 10 0 DEAERO COCC[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000157250093 197173418 /nfs/dbraw/zinc/17/34/18/197173418.db2.gz QMSILDGYPXXPPY-SOUVJXGZSA-N 1 0 307.438 2.210 10 0 DEAERO C[C@@H]1CCC[C@](CNC(=O)c2nnc(Cl)s2)([NH+](C)C)C1 ZINC000157243109 197172437 /nfs/dbraw/zinc/17/24/37/197172437.db2.gz ZNISBBHWVOARLW-RNCFNFMXSA-N 1 0 316.858 2.432 10 0 DEAERO Cn1nncc1[C@H]([NH3+])c1ccc(Br)c(Cl)c1 ZINC000157076167 197159727 /nfs/dbraw/zinc/15/97/27/197159727.db2.gz KIGNAANDJMIBBT-SNVBAGLBSA-N 1 0 301.575 2.279 10 0 DEAERO COc1cc(Br)cc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000157060381 197158860 /nfs/dbraw/zinc/15/88/60/197158860.db2.gz TVWIUJYMELYFJS-JGVFFNPUSA-N 1 0 301.184 2.380 10 0 DEAERO CCCSc1nsc(NC(=O)N(C)CCC[NH+](C)C)n1 ZINC000541768390 285185052 /nfs/dbraw/zinc/18/50/52/285185052.db2.gz NEYUDJTWRCLJOB-UHFFFAOYSA-N 1 0 317.484 2.456 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccc(OCCOC)cc1)[NH+](C)C ZINC000156891443 197148300 /nfs/dbraw/zinc/14/83/00/197148300.db2.gz VFMWIAMCYKBOQB-INIZCTEOSA-N 1 0 308.422 2.058 10 0 DEAERO C[C@H]([NH3+])[C@H](C)C(=O)NCc1cc(Br)ccc1F ZINC000156841348 197145019 /nfs/dbraw/zinc/14/50/19/197145019.db2.gz JIKPKZARPKATBX-YUMQZZPRSA-N 1 0 303.175 2.188 10 0 DEAERO C[NH2+][C@@H](Cc1cccc(F)c1Br)C(OC)OC ZINC000157453592 197188153 /nfs/dbraw/zinc/18/81/53/197188153.db2.gz OSEYKPIEMHFJCT-JTQLQIEISA-N 1 0 306.175 2.338 10 0 DEAERO Cc1cc(OC[C@H](O)C[NH2+]C2CC2)ccc1Br ZINC000157055960 197157895 /nfs/dbraw/zinc/15/78/95/197157895.db2.gz SHLRMGNKDWTRCV-LLVKDONJSA-N 1 0 300.196 2.249 10 0 DEAERO O=C1C[C@H]([NH2+]C[C@@H]2CCCCS2)C(=O)N1C1CCCCC1 ZINC000156411815 197110794 /nfs/dbraw/zinc/11/07/94/197110794.db2.gz QYGHIWDWUMLNBT-KBPBESRZSA-N 1 0 310.463 2.322 10 0 DEAERO COC(=O)[C@@H](c1cccnc1)N1CCC(OCC(C)C)CC1 ZINC000156276428 197100104 /nfs/dbraw/zinc/10/01/04/197100104.db2.gz HNTVHWVNWGNKSE-MRXNPFEDSA-N 1 0 306.406 2.433 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)c1cccc(F)c1Br ZINC000155995097 197078768 /nfs/dbraw/zinc/07/87/68/197078768.db2.gz HVEPSTJJIWLOOW-VIFPVBQESA-N 1 0 315.186 2.460 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)COc1ccc(F)c(Cl)c1 ZINC000155566420 197067295 /nfs/dbraw/zinc/06/72/95/197067295.db2.gz NFKGQAMHNGSZAU-PHIMTYICSA-N 1 0 314.788 2.409 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2cnc3ccccc3n2)C1 ZINC000155532695 197064139 /nfs/dbraw/zinc/06/41/39/197064139.db2.gz CADFBIAJGKCKKU-MHMSXWKFSA-N 1 0 324.428 2.488 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000120773033 195235272 /nfs/dbraw/zinc/23/52/72/195235272.db2.gz ZTPPHWVIMXCWBH-MEDUHNTESA-N 1 0 301.438 2.369 10 0 DEAERO Cc1noc(CCC[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)n1 ZINC000271601778 209049318 /nfs/dbraw/zinc/04/93/18/209049318.db2.gz AWLNJJBSWNUYNH-CYBMUJFWSA-N 1 0 316.409 2.117 10 0 DEAERO CC[N@@H+]1C[C@H](COC)[C@@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC000248131743 257107895 /nfs/dbraw/zinc/10/78/95/257107895.db2.gz BDFOOCUHDOTYFD-APWZRJJASA-N 1 0 316.445 2.425 10 0 DEAERO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccc(C)c(C)c3)C[C@H]21 ZINC000248070384 257108908 /nfs/dbraw/zinc/10/89/08/257108908.db2.gz GALYKZVUCVQQJF-QZTJIDSGSA-N 1 0 302.418 2.125 10 0 DEAERO Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(c3nc(C)no3)C2)s1 ZINC000248023121 257110778 /nfs/dbraw/zinc/11/07/78/257110778.db2.gz MRONUOSAEJINIJ-WFASDCNBSA-N 1 0 305.403 2.148 10 0 DEAERO Cc1ccc(N2CC[C@H]3C[N@H+](Cc4cccc(C)n4)C[C@H]3C2)nn1 ZINC000247906135 257114587 /nfs/dbraw/zinc/11/45/87/257114587.db2.gz JWBUEHYRODADCS-IRXDYDNUSA-N 1 0 323.444 2.447 10 0 DEAERO COC[C@@H]1CNC(=O)[C@H]2CC[N@H+](Cc3cc(C)c(C)o3)CC[C@@H]12 ZINC000247827377 257116791 /nfs/dbraw/zinc/11/67/91/257116791.db2.gz GJDALHHXHDYWKY-XIRDDKMYSA-N 1 0 320.433 2.117 10 0 DEAERO O=C(NCC1CC1)[C@]12CCO[C@H]1CC[N@H+](Cc1ccsc1)C2 ZINC000247465763 257119823 /nfs/dbraw/zinc/11/98/23/257119823.db2.gz COPQEDPEPKHFKB-RDJZCZTQSA-N 1 0 320.458 2.255 10 0 DEAERO O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC000247331853 257119907 /nfs/dbraw/zinc/11/99/07/257119907.db2.gz PCVDGQOKJGECGE-CVEARBPZSA-N 1 0 324.421 2.073 10 0 DEAERO CC[NH+](CC)[C@H]1CCO[C@@]2(CCN(c3ncc(F)cn3)C2)C1 ZINC000503715757 257210148 /nfs/dbraw/zinc/21/01/48/257210148.db2.gz ASYWZJWGNDAVCL-HOCLYGCPSA-N 1 0 308.401 2.085 10 0 DEAERO C[C@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)C(C)(C)C[NH+](C)C ZINC000121148641 195298968 /nfs/dbraw/zinc/29/89/68/195298968.db2.gz TVDZEIRWBKLAOQ-ZDUSSCGKSA-N 1 0 321.469 2.275 10 0 DEAERO CC[S@@](=O)c1ccccc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000121609207 195316045 /nfs/dbraw/zinc/31/60/45/195316045.db2.gz FKHQHIIKHTTWGI-FPTDNZKUSA-N 1 0 322.474 2.418 10 0 DEAERO C[NH+]1CCC(CN2C(=O)C3(CC3)N[C@H]2c2cccs2)CC1 ZINC000122019351 195390519 /nfs/dbraw/zinc/39/05/19/195390519.db2.gz KVNVGCMSQKKOIH-CQSZACIVSA-N 1 0 305.447 2.053 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000122035625 195393126 /nfs/dbraw/zinc/39/31/26/195393126.db2.gz RPZNKNKABKEZHW-DYVFJYSZSA-N 1 0 320.481 2.427 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000122035368 195393563 /nfs/dbraw/zinc/39/35/63/195393563.db2.gz RPZNKNKABKEZHW-CXAGYDPISA-N 1 0 320.481 2.427 10 0 DEAERO C[NH2+][C@@H](C[C@H]1CCOc2ccccc21)C(C)(C)S(C)(=O)=O ZINC000123058248 195538992 /nfs/dbraw/zinc/53/89/92/195538992.db2.gz UZJXDBRRDRJQLD-DOMZBBRYSA-N 1 0 311.447 2.354 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])[C@H](CC)OC)c1Br ZINC000124352504 195631869 /nfs/dbraw/zinc/63/18/69/195631869.db2.gz NWHLBVXKBOEBEM-KWQFWETISA-N 1 0 304.232 2.040 10 0 DEAERO CCc1nn(CC)c(C[C@]2([NH3+])CCO[C@H]2C)c1Br ZINC000126018158 195803206 /nfs/dbraw/zinc/80/32/06/195803206.db2.gz OPPQKVNDLRCJFI-TVQRCGJNSA-N 1 0 316.243 2.277 10 0 DEAERO C[C@H]1OCC[C@H]1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000126211742 195820444 /nfs/dbraw/zinc/82/04/44/195820444.db2.gz XUJIUIMYKZAMFG-KBUPBQIOSA-N 1 0 311.470 2.220 10 0 DEAERO C[NH2+]C[C@@H](Cc1cc(F)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000125600661 195766850 /nfs/dbraw/zinc/76/68/50/195766850.db2.gz ZNOMQNYAUNSPAO-ZYHUDNBSSA-N 1 0 319.829 2.292 10 0 DEAERO CC[NH2+][C@@H](CC)c1ccccc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000127529763 195885978 /nfs/dbraw/zinc/88/59/78/195885978.db2.gz ACWQDBXWXLCURI-HIFRSBDPSA-N 1 0 310.463 2.371 10 0 DEAERO CC[NH2+]Cc1sccc1S(=O)(=O)NC[C@@H](C)C1CC1 ZINC000128233617 195947569 /nfs/dbraw/zinc/94/75/69/195947569.db2.gz LNWCVFQZMAIKCA-SNVBAGLBSA-N 1 0 302.465 2.182 10 0 DEAERO COc1ccc2cc(C[N@@H+]3CCN(CCO)[C@H](C)C3)ccc2c1 ZINC000190252063 533327116 /nfs/dbraw/zinc/32/71/16/533327116.db2.gz CMQAOFBWYQFPCI-OAHLLOKOSA-N 1 0 314.429 2.347 10 0 DEAERO Fc1ccccc1NC1CC[NH+](CCCN2CCOCC2)CC1 ZINC000072688296 132501876 /nfs/dbraw/zinc/50/18/76/132501876.db2.gz ZJONLAHIABBXPA-UHFFFAOYSA-N 1 0 321.440 2.424 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504869 132548464 /nfs/dbraw/zinc/54/84/64/132548464.db2.gz ZEFGIRQDNGJZHV-KBPBESRZSA-N 1 0 306.454 2.293 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000227276630 132551354 /nfs/dbraw/zinc/55/13/54/132551354.db2.gz YZYYMTCHSAJJMB-KFWWJZLASA-N 1 0 308.809 2.367 10 0 DEAERO CN(CCOc1ccccc1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237192649 132558133 /nfs/dbraw/zinc/55/81/33/132558133.db2.gz WZLKXQVWLZPOOB-PVAVHDDUSA-N 1 0 302.418 2.445 10 0 DEAERO C[C@H]1CC[N@H+](CCC(=O)N2CCOCC2)[C@H]1c1cccc(F)c1 ZINC000245407907 132563512 /nfs/dbraw/zinc/56/35/12/132563512.db2.gz DNNXGPVAFBQDCH-KBXCAEBGSA-N 1 0 320.408 2.458 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(CC(C)(C)c2ccccc2)n1 ZINC000263260515 132579882 /nfs/dbraw/zinc/57/98/82/132579882.db2.gz QVIAMERENTUFFJ-CQSZACIVSA-N 1 0 300.406 2.166 10 0 DEAERO CCN(CCC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1)S(C)(=O)=O ZINC000300161521 132594328 /nfs/dbraw/zinc/59/43/28/132594328.db2.gz SCDCMFMKSHKDRE-ZFWWWQNUSA-N 1 0 302.484 2.240 10 0 DEAERO C[C@H](NC(=O)NCc1ccc2cc[nH]c2n1)C(C)(C)C[NH+](C)C ZINC000357879167 133106534 /nfs/dbraw/zinc/10/65/34/133106534.db2.gz ISSVFBJJLPBJRB-LBPRGKRZSA-N 1 0 317.437 2.338 10 0 DEAERO CCN(CCC[NH+](CC)CC)C(=O)NCCc1cc(C)no1 ZINC000358027976 133116536 /nfs/dbraw/zinc/11/65/36/133116536.db2.gz DQCMRALOICETRJ-UHFFFAOYSA-N 1 0 310.442 2.289 10 0 DEAERO c1cnc(N2CCCC3(CC[NH+](C[C@H]4CCOC4)CC3)C2)nc1 ZINC000096063037 285544281 /nfs/dbraw/zinc/54/42/81/285544281.db2.gz UKJHMUGPWNQPSM-MRXNPFEDSA-N 1 0 316.449 2.196 10 0 DEAERO CC1=CCN(CC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000358145778 133123826 /nfs/dbraw/zinc/12/38/26/133123826.db2.gz WMPFQQJXCDNCFR-UHFFFAOYSA-N 1 0 317.433 2.126 10 0 DEAERO CCCN(CC[NH+]1CCCCCC1)C(=O)NCCc1cn[nH]c1 ZINC000360297448 133174195 /nfs/dbraw/zinc/17/41/95/133174195.db2.gz XNXXNOOZKOSVLC-UHFFFAOYSA-N 1 0 321.469 2.250 10 0 DEAERO COC[C@H](Cc1ccccc1)[NH2+]CCc1cccc(OC)n1 ZINC000361928649 133200257 /nfs/dbraw/zinc/20/02/57/133200257.db2.gz XIVIDCFGDKSFRW-KRWDZBQOSA-N 1 0 300.402 2.480 10 0 DEAERO c1nn2ccccc2c1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000362353634 133225806 /nfs/dbraw/zinc/22/58/06/133225806.db2.gz QQYNXOYTGJWRIX-UHFFFAOYSA-N 1 0 322.416 2.252 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cccc2c1OCCO2 ZINC000368657325 133282722 /nfs/dbraw/zinc/28/27/22/133282722.db2.gz FTLCTOWDMOKCFM-UONOGXRCSA-N 1 0 316.401 2.157 10 0 DEAERO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000368656524 133282734 /nfs/dbraw/zinc/28/27/34/133282734.db2.gz YDQQIQTYKWGJBU-AWEZNQCLSA-N 1 0 310.405 2.216 10 0 DEAERO CC(C)[C@@]1(CO)CC[N@H+](Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000377657200 133339492 /nfs/dbraw/zinc/33/94/92/133339492.db2.gz UFSYZAACVIFNJG-SFHVURJKSA-N 1 0 304.434 2.229 10 0 DEAERO C(c1nnc2n1CCCCC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000372565403 133358996 /nfs/dbraw/zinc/35/89/96/133358996.db2.gz RLHJOQLVFSGRAD-UHFFFAOYSA-N 1 0 317.481 2.312 10 0 DEAERO CC[C@@H]1CO[C@@H](C)CN1c1ncc(Br)cc1C[NH3+] ZINC000051397986 134762805 /nfs/dbraw/zinc/76/28/05/134762805.db2.gz CPZUQEWZOFKXCW-JOYOIKCWSA-N 1 0 314.227 2.307 10 0 DEAERO C[C@H](C[NH3+])CN1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000051691993 134764645 /nfs/dbraw/zinc/76/46/45/134764645.db2.gz WUGWQUQWENXXOA-GFCCVEGCSA-N 1 0 301.356 2.422 10 0 DEAERO c1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)c2c(c1)OCCCO2 ZINC000563136174 292033462 /nfs/dbraw/zinc/03/34/62/292033462.db2.gz DZHZFEKICDGPES-GOSISDBHSA-N 1 0 302.418 2.423 10 0 DEAERO Cc1cc(CC[NH2+][C@H](C)CC(=O)NCCc2ccccc2)on1 ZINC000563331468 292046641 /nfs/dbraw/zinc/04/66/41/292046641.db2.gz ANOLBVVGRKZFRB-CQSZACIVSA-N 1 0 315.417 2.253 10 0 DEAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCOCC2CCC2)C1 ZINC000564695108 292105170 /nfs/dbraw/zinc/10/51/70/292105170.db2.gz KNZXIGHWCSVFBE-INIZCTEOSA-N 1 0 311.470 2.223 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000162106814 144798001 /nfs/dbraw/zinc/79/80/01/144798001.db2.gz HWJXBCNMHNFZSD-XHSDSOJGSA-N 1 0 321.465 2.119 10 0 DEAERO Cc1cc(C)n2c(CN3CCC[C@@H]3C[NH+]3CCCC3)cnc2n1 ZINC000179644784 144879377 /nfs/dbraw/zinc/87/93/77/144879377.db2.gz LSPZAWSMNAWDAP-MRXNPFEDSA-N 1 0 313.449 2.406 10 0 DEAERO CO[C@H](C)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000182286308 144915792 /nfs/dbraw/zinc/91/57/92/144915792.db2.gz HCIFSSVLGPAIHD-CQSZACIVSA-N 1 0 302.418 2.323 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000183970481 144938002 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O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc2ccccc2c(=O)[nH]1 ZINC000188733259 145016796 /nfs/dbraw/zinc/01/67/96/145016796.db2.gz AZGLHYFMOOJZAE-UHFFFAOYSA-N 1 0 319.364 2.061 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccccc2NCc2cccnc2)CC[NH2+]1 ZINC000189007857 145020944 /nfs/dbraw/zinc/02/09/44/145020944.db2.gz YFEDBUJTDHMWLF-CQSZACIVSA-N 1 0 310.401 2.128 10 0 DEAERO CCCOc1nc(C)ccc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000189212801 145023951 /nfs/dbraw/zinc/02/39/51/145023951.db2.gz AYXMSWJXAZHWOE-CQSZACIVSA-N 1 0 317.433 2.393 10 0 DEAERO Cc1cccc2c1OCC[C@H]2NC(=O)NCCCn1ccnc1 ZINC000189681881 145031785 /nfs/dbraw/zinc/03/17/85/145031785.db2.gz JOIHDNUYLAZCEU-OAHLLOKOSA-N 1 0 314.389 2.405 10 0 DEAERO CCc1nnc(C2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)[nH]1 ZINC000190660854 145045539 /nfs/dbraw/zinc/04/55/39/145045539.db2.gz HMPRCOKQZNRNEH-HNNXBMFYSA-N 1 0 318.396 2.419 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)c1ccccc1 ZINC000191366639 145057386 /nfs/dbraw/zinc/05/73/86/145057386.db2.gz BMGYMIPTNZBPJN-CQSZACIVSA-N 1 0 315.421 2.066 10 0 DEAERO Nc1cc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)ccn1 ZINC000193298112 145084278 /nfs/dbraw/zinc/08/42/78/145084278.db2.gz MIWLYGNZXZTTTI-UHFFFAOYSA-N 1 0 324.428 2.192 10 0 DEAERO Cc1cc(C)cc(NC(=O)[C@@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000193602257 145087661 /nfs/dbraw/zinc/08/76/61/145087661.db2.gz RXKOBICMAZOFQT-OAGGEKHMSA-N 1 0 301.434 2.124 10 0 DEAERO COCCC1(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CCCC1 ZINC000246290819 145096950 /nfs/dbraw/zinc/09/69/50/145096950.db2.gz AXMVTTNYBUDAJM-CVEARBPZSA-N 1 0 323.481 2.461 10 0 DEAERO O[C@@H](C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccc(Cl)cc1 ZINC000246307531 145097733 /nfs/dbraw/zinc/09/77/33/145097733.db2.gz AFNDGCGAWAQBAO-CJNGLKHVSA-N 1 0 320.824 2.377 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC000246373467 145100873 /nfs/dbraw/zinc/10/08/73/145100873.db2.gz RQCUPQMCHCJXFX-COXVUDFISA-N 1 0 302.418 2.257 10 0 DEAERO 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/nfs/dbraw/zinc/11/85/41/145118541.db2.gz PKLGTZFJLJICGW-HOTGVXAUSA-N 1 0 304.434 2.221 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1c(C)n[nH]c1C ZINC000246981883 145121574 /nfs/dbraw/zinc/12/15/74/145121574.db2.gz OLGAOJPIXXWMKR-CABCVRRESA-N 1 0 304.438 2.044 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@H]1COc2ccccc21 ZINC000247083893 145126146 /nfs/dbraw/zinc/12/61/46/145126146.db2.gz VZOHDIOPKZXRMI-SQWLQELKSA-N 1 0 317.433 2.287 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc(Cl)cc1 ZINC000247311633 145132671 /nfs/dbraw/zinc/13/26/71/145132671.db2.gz OCFZSKLGRPSHEB-OCCSQVGLSA-N 1 0 308.809 2.414 10 0 DEAERO CCCc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)n2ncnc2n1 ZINC000247307735 145132924 /nfs/dbraw/zinc/13/29/24/145132924.db2.gz LSMHLWDXILVPIU-TZMCWYRMSA-N 1 0 302.426 2.217 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(=O)oc2cc(O)ccc12 ZINC000247317669 145133462 /nfs/dbraw/zinc/13/34/62/145133462.db2.gz OKNJFSZHZXXISC-OCCSQVGLSA-N 1 0 314.385 2.167 10 0 DEAERO COCc1ccc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000247499590 145138901 /nfs/dbraw/zinc/13/89/01/145138901.db2.gz XMUGFHQTZIXQBF-WMLDXEAASA-N 1 0 319.449 2.361 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C1CCCC1 ZINC000247499886 145138980 /nfs/dbraw/zinc/13/89/80/145138980.db2.gz NJAPXTPMBOMDEM-SJORKVTESA-N 1 0 323.481 2.461 10 0 DEAERO CC[C@@H]1CN(Cc2ccccc2N(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247495940 145139040 /nfs/dbraw/zinc/13/90/40/145139040.db2.gz LHGNNMACVCARJM-DOTOQJQBSA-N 1 0 305.466 2.030 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000247527053 145140077 /nfs/dbraw/zinc/14/00/77/145140077.db2.gz ZMWRGCTVBQWAMJ-WMLDXEAASA-N 1 0 312.417 2.331 10 0 DEAERO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C)CC[C@H]2C)cc1 ZINC000247567872 145141689 /nfs/dbraw/zinc/14/16/89/145141689.db2.gz RLIRDOGBIXNPBL-IIAWOOMASA-N 1 0 321.417 2.333 10 0 DEAERO Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn1 ZINC000248144866 145149141 /nfs/dbraw/zinc/14/91/41/145149141.db2.gz ZHKJDMDVVHJCCR-HKUYNNGSSA-N 1 0 309.413 2.494 10 0 DEAERO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248488225 145156900 /nfs/dbraw/zinc/15/69/00/145156900.db2.gz MIOUSEQAXQBDJC-KCQAQPDRSA-N 1 0 307.390 2.457 10 0 DEAERO COC(=O)c1ccccc1CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248554294 145158926 /nfs/dbraw/zinc/15/89/26/145158926.db2.gz JZMZLPFSWNIKFB-INIZCTEOSA-N 1 0 302.418 2.186 10 0 DEAERO Cc1cnc([C@H](C)CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000248615974 145161530 /nfs/dbraw/zinc/16/15/30/145161530.db2.gz LXIIKBQPCLPYKU-YPMHNXCESA-N 1 0 308.451 2.045 10 0 DEAERO Cc1csc([C@H](C)CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000248641032 145162740 /nfs/dbraw/zinc/16/27/40/145162740.db2.gz RGMYIFRQKVOPQN-MRVWCRGKSA-N 1 0 322.478 2.433 10 0 DEAERO CC[N@H+](CCO)CCNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000248645331 145162896 /nfs/dbraw/zinc/16/28/96/145162896.db2.gz QZFBBDPSFCLRLT-ROUUACIJSA-N 1 0 318.461 2.344 10 0 DEAERO C[C@H]1CC[N@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)[C@H]1CO ZINC000248904750 145172873 /nfs/dbraw/zinc/17/28/73/145172873.db2.gz HUGLVDKEUUONHT-ZANVPECISA-N 1 0 309.316 2.218 10 0 DEAERO CSC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000248968863 145174187 /nfs/dbraw/zinc/17/41/87/145174187.db2.gz ROGCIVWGIZSVOO-UKRRQHHQSA-N 1 0 319.474 2.304 10 0 DEAERO CO[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[C@H]1C ZINC000249260713 145181653 /nfs/dbraw/zinc/18/16/53/145181653.db2.gz YYFGLUXTPVDJLH-HYVNUMGLSA-N 1 0 304.434 2.043 10 0 DEAERO CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000249270263 145181744 /nfs/dbraw/zinc/18/17/44/145181744.db2.gz AUZNZNMXBAOCLN-SQNIBIBYSA-N 1 0 316.445 2.162 10 0 DEAERO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000250673052 145193543 /nfs/dbraw/zinc/19/35/43/145193543.db2.gz YZNHTTRXDZSMRI-GOEBONIOSA-N 1 0 311.422 2.437 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)CC[C@@H]1C ZINC000251532494 145194821 /nfs/dbraw/zinc/19/48/21/145194821.db2.gz DGNFSMCZVZMGKS-GZBFAFLISA-N 1 0 319.405 2.080 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000252415897 145199278 /nfs/dbraw/zinc/19/92/78/145199278.db2.gz MFZFBEQZUNPNSU-QWHCGFSZSA-N 1 0 314.476 2.209 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)s1 ZINC000261591253 145208741 /nfs/dbraw/zinc/20/87/41/145208741.db2.gz LVWZCNIXHQBPGU-LBPRGKRZSA-N 1 0 302.465 2.033 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1cc(F)ccc1F ZINC000261649241 145213529 /nfs/dbraw/zinc/21/35/29/145213529.db2.gz FPZRADJOHIRLQE-QEORTHHSSA-N 1 0 324.371 2.114 10 0 DEAERO [NH3+]C[C@@H]1CN(C(=O)c2cccc3c2OCO3)C[C@H]1c1ccccc1 ZINC000261661112 145214458 /nfs/dbraw/zinc/21/44/58/145214458.db2.gz GXIKAHCLNAKNJG-ZBFHGGJFSA-N 1 0 324.380 2.230 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(Cc2c(C)nn(CC(C)C)c2C)n1 ZINC000261669167 145215023 /nfs/dbraw/zinc/21/50/23/145215023.db2.gz GDHJEORQFQOLQU-LLVKDONJSA-N 1 0 305.426 2.280 10 0 DEAERO CC(C)(C)c1noc(CCCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261678258 145215544 /nfs/dbraw/zinc/21/55/44/145215544.db2.gz CHYSUFKZQAJPPY-GFCCVEGCSA-N 1 0 322.453 2.276 10 0 DEAERO CCc1nccn1[C@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261683390 145216192 /nfs/dbraw/zinc/21/61/92/145216192.db2.gz HCLXSKGZODZWPQ-SOUVJXGZSA-N 1 0 304.438 2.127 10 0 DEAERO C[C@H](CNC(=O)[C@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261683247 145216374 /nfs/dbraw/zinc/21/63/74/145216374.db2.gz KECYRJIYZYISAD-HLLBOEOZSA-N 1 0 317.477 2.354 10 0 DEAERO [NH3+][C@H](C(=O)Nc1cccc(-c2cnco2)c1)C1CCOCC1 ZINC000261705266 145218254 /nfs/dbraw/zinc/21/82/54/145218254.db2.gz IJRWDOXWQHYEEX-HNNXBMFYSA-N 1 0 301.346 2.034 10 0 DEAERO Cc1ccc(C(=O)CCC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1C ZINC000261702575 145218385 /nfs/dbraw/zinc/21/83/85/145218385.db2.gz JKVNXSRXUNJWGT-GJZGRUSLSA-N 1 0 302.418 2.462 10 0 DEAERO CC(C)CO[C@@H](C)c1noc(CN(C)C[C@@]2(C)CC[NH2+]C2)n1 ZINC000261705550 145218430 /nfs/dbraw/zinc/21/84/30/145218430.db2.gz CYTVSTDPYKLDMD-BBRMVZONSA-N 1 0 310.442 2.235 10 0 DEAERO [NH3+]C1(c2noc([C@H]3CSCN3C(=O)C3CCCC3)n2)CCC1 ZINC000261718764 145219635 /nfs/dbraw/zinc/21/96/35/145219635.db2.gz JLUIVEXKFCQPIN-LLVKDONJSA-N 1 0 322.434 2.172 10 0 DEAERO [NH3+][C@H](C(=O)NCC1CCC(C(F)(F)F)CC1)C1CCOCC1 ZINC000261716628 145219966 /nfs/dbraw/zinc/21/99/66/145219966.db2.gz CDJVERYIHXCUBV-GDKBPFBDSA-N 1 0 322.371 2.225 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000261716917 145219972 /nfs/dbraw/zinc/21/99/72/145219972.db2.gz JQYZPYRCIPPCBI-MGPQQGTHSA-N 1 0 318.421 2.028 10 0 DEAERO C[C@@H]([NH3+])CC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000261745641 145222036 /nfs/dbraw/zinc/22/20/36/145222036.db2.gz GWXXGPMVONNOEE-ZWNOBZJWSA-N 1 0 316.323 2.343 10 0 DEAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000261753863 145222868 /nfs/dbraw/zinc/22/28/68/145222868.db2.gz UEEMUWZLYJYUNS-CABZTGNLSA-N 1 0 302.296 2.313 10 0 DEAERO Fc1cccc(OCCN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261764199 145224430 /nfs/dbraw/zinc/22/44/30/145224430.db2.gz OEPNATNIVNUUDW-KRWDZBQOSA-N 1 0 301.365 2.246 10 0 DEAERO CC(C)(C)CCNC(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261774548 145224871 /nfs/dbraw/zinc/22/48/71/145224871.db2.gz OKZTUBRLPGXAFA-UHFFFAOYSA-N 1 0 305.466 2.042 10 0 DEAERO C[C@@H]1CCN(C(=O)Cc2coc(-c3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000261777312 145224978 /nfs/dbraw/zinc/22/49/78/145224978.db2.gz KWMPYUINVIAORB-CJNGLKHVSA-N 1 0 313.401 2.470 10 0 DEAERO CC1(C)CN([C@@H](C(=O)NC2CC2)c2ccccc2)CC[C@H]1[NH3+] ZINC000261802515 145227935 /nfs/dbraw/zinc/22/79/35/145227935.db2.gz VYQLTCNXLPXHHG-HZPDHXFCSA-N 1 0 301.434 2.066 10 0 DEAERO CCC(CC)(CC)CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261853725 145233936 /nfs/dbraw/zinc/23/39/36/145233936.db2.gz BKVDHOCVJPPINU-CABCVRRESA-N 1 0 306.454 2.056 10 0 DEAERO CO[C@@H](C)c1nc(CN2CC[NH2+]C[C@H]2c2cccnc2)cs1 ZINC000261868315 145235238 /nfs/dbraw/zinc/23/52/38/145235238.db2.gz XBDLHQMQAKXSRD-WFASDCNBSA-N 1 0 318.446 2.392 10 0 DEAERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)C[C@H](C)[NH3+])O[C@@H](C)C2 ZINC000261887144 145238124 /nfs/dbraw/zinc/23/81/24/145238124.db2.gz SOETVPPKCGLZOP-UHXUCMFUSA-N 1 0 318.417 2.118 10 0 DEAERO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc2ccccc2oc1=O ZINC000261901172 145239121 /nfs/dbraw/zinc/23/91/21/145239121.db2.gz OVSWYTKRBXPIGK-OAHLLOKOSA-N 1 0 314.385 2.301 10 0 DEAERO CC1(C)CN(CC(=O)NCCc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261910023 145240071 /nfs/dbraw/zinc/24/00/71/145240071.db2.gz XLSOMRGXMXOQGC-OAHLLOKOSA-N 1 0 323.868 2.058 10 0 DEAERO C[C@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000261906279 145240349 /nfs/dbraw/zinc/24/03/49/145240349.db2.gz WYYCHPUUOJNIAG-QWRGUYRKSA-N 1 0 314.788 2.444 10 0 DEAERO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cnn1C(C)(C)C ZINC000261928429 145243514 /nfs/dbraw/zinc/24/35/14/145243514.db2.gz ZQRMQVDDWKDCCK-OKILXGFUSA-N 1 0 304.438 2.018 10 0 DEAERO COc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c(C)c1 ZINC000261937582 145243991 /nfs/dbraw/zinc/24/39/91/145243991.db2.gz UGIYWJVFPSREHD-DDUZABMNSA-N 1 0 318.417 2.475 10 0 DEAERO Cc1ccc2c(c1C)OC[C@H]2NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261952783 145246269 /nfs/dbraw/zinc/24/62/69/145246269.db2.gz QBCHROAFFFNZHD-LSDHHAIUSA-N 1 0 300.402 2.243 10 0 DEAERO Cc1ccc(N2C[C@@H](c3nc(C4([NH3+])CCC4)no3)CC2=O)cc1 ZINC000261951943 145246600 /nfs/dbraw/zinc/24/66/00/145246600.db2.gz OCCIOUZABQTKLY-LBPRGKRZSA-N 1 0 312.373 2.236 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000261970387 145248788 /nfs/dbraw/zinc/24/87/88/145248788.db2.gz QAPKPOMXPJFNSF-HEHGZKQESA-N 1 0 307.413 2.205 10 0 DEAERO [NH3+][C@H](C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCOCC1 ZINC000261996133 145251397 /nfs/dbraw/zinc/25/13/97/145251397.db2.gz NCMBBVHKNJLLOF-RTXFEEFZSA-N 1 0 322.371 2.225 10 0 DEAERO [NH3+][C@H](C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCOCC1 ZINC000261996135 145251459 /nfs/dbraw/zinc/25/14/59/145251459.db2.gz NCMBBVHKNJLLOF-WXHSDQCUSA-N 1 0 322.371 2.225 10 0 DEAERO c1nc(-c2ccccn2)sc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261999421 145252370 /nfs/dbraw/zinc/25/23/70/145252370.db2.gz LENKTCGAYFXKAF-INIZCTEOSA-N 1 0 300.431 2.391 10 0 DEAERO COc1ccc(Cl)cc1CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262054991 145257782 /nfs/dbraw/zinc/25/77/82/145257782.db2.gz REQJEEMNQRULSK-AWEZNQCLSA-N 1 0 310.825 2.477 10 0 DEAERO Cc1nn(C)c2ncc(CN(CC[NH3+])CCc3ccccc3)cc12 ZINC000262112452 145263240 /nfs/dbraw/zinc/26/32/40/145263240.db2.gz WPSHKQBOAYTNME-UHFFFAOYSA-N 1 0 323.444 2.280 10 0 DEAERO COCC[C@@]1(c2nc(COc3cccc(F)c3)no2)CC[NH2+]C1 ZINC000262141248 145265186 /nfs/dbraw/zinc/26/51/86/145265186.db2.gz ZELDGATTZCIFEP-INIZCTEOSA-N 1 0 321.352 2.055 10 0 DEAERO O=C(CN1CCC([NH2+]CC2CC2)CC1)Nc1ccccc1F ZINC000262290731 145273761 /nfs/dbraw/zinc/27/37/61/145273761.db2.gz NDYLPJONUJLKIP-UHFFFAOYSA-N 1 0 305.397 2.228 10 0 DEAERO Cc1cc(NC(=O)[C@@H](C)C2C[NH2+]C2)n(-c2ccc(F)cc2)n1 ZINC000262294406 145274103 /nfs/dbraw/zinc/27/41/03/145274103.db2.gz YXTLMLDGJGHDSZ-NSHDSACASA-N 1 0 302.353 2.114 10 0 DEAERO COCC1(C(=O)NCc2ccc(SC)cc2)CC[NH2+]CC1 ZINC000262313174 145275398 /nfs/dbraw/zinc/27/53/98/145275398.db2.gz ATPNSJACLVGQFD-UHFFFAOYSA-N 1 0 308.447 2.041 10 0 DEAERO Cc1noc(C)c1C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000262387422 145280898 /nfs/dbraw/zinc/28/08/98/145280898.db2.gz NUPXYWLBQWKMFA-CABCVRRESA-N 1 0 317.364 2.306 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2cccc3ncccc32)C1 ZINC000262421289 145282996 /nfs/dbraw/zinc/28/29/96/145282996.db2.gz FBDWGTMEWZTGEP-OLZOCXBDSA-N 1 0 319.430 2.031 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262468187 145286110 /nfs/dbraw/zinc/28/61/10/145286110.db2.gz MTYFRAPIAHIHBR-CEFQPYBMSA-N 1 0 305.422 2.259 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1ccc(Cl)cc1 ZINC000262498013 145288375 /nfs/dbraw/zinc/28/83/75/145288375.db2.gz LRASTTIFBPIFRY-CKEIUWERSA-N 1 0 322.836 2.489 10 0 DEAERO CC(C)c1ccc(NC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000262528180 145290318 /nfs/dbraw/zinc/29/03/18/145290318.db2.gz PDEIOSHBMWHKSI-XIRDDKMYSA-N 1 0 301.434 2.418 10 0 DEAERO COc1cccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262528287 145290581 /nfs/dbraw/zinc/29/05/81/145290581.db2.gz PDZLQBDDPNMFCH-UAGQMJEPSA-N 1 0 302.418 2.275 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)NC3CCC([NH3+])CC3)nc21 ZINC000262541151 145291306 /nfs/dbraw/zinc/29/13/06/145291306.db2.gz GGTOICKDIWRNBM-UHFFFAOYSA-N 1 0 300.406 2.190 10 0 DEAERO C[C@H](NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000262587096 145295612 /nfs/dbraw/zinc/29/56/12/145295612.db2.gz ZWJPMQRMFMRBNS-KDQZPGIASA-N 1 0 302.418 2.396 10 0 DEAERO C[C@H](C(=O)NCc1cccnc1N(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000262661905 145298509 /nfs/dbraw/zinc/29/85/09/145298509.db2.gz GLVZWNJSKLBFAM-XJKSGUPXSA-N 1 0 312.417 2.100 10 0 DEAERO Cc1cc(-n2c(C)cc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)c2C)no1 ZINC000262717540 145301623 /nfs/dbraw/zinc/30/16/23/145301623.db2.gz DWIGSTAPURDPJA-BMIGLBTASA-N 1 0 316.405 2.118 10 0 DEAERO C[C@H]1[NH2+]CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)[C@H]1C ZINC000262787964 145305231 /nfs/dbraw/zinc/30/52/31/145305231.db2.gz MSVSBQCRAOEAIW-NEPJUHHUSA-N 1 0 318.808 2.348 10 0 DEAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H](O)c1cccc(Cl)c1 ZINC000262903002 145309962 /nfs/dbraw/zinc/30/99/62/145309962.db2.gz DVHKLKNTDDAHEE-LZWOXQAQSA-N 1 0 310.825 2.397 10 0 DEAERO CCCOc1cccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263206527 145335971 /nfs/dbraw/zinc/33/59/71/145335971.db2.gz JTTARTYPBBXIEZ-AWEZNQCLSA-N 1 0 302.378 2.102 10 0 DEAERO COCC[C@H](COC)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000309863247 145350472 /nfs/dbraw/zinc/35/04/72/145350472.db2.gz OHFJKGYDYOJURK-ZWKOTPCHSA-N 1 0 306.450 2.292 10 0 DEAERO COCC[C@H](COC)[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000309701184 145351112 /nfs/dbraw/zinc/35/11/12/145351112.db2.gz GBQSNUJPEVSGRA-JQHSSLGASA-N 1 0 306.450 2.291 10 0 DEAERO CC(C)OCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309919202 145351205 /nfs/dbraw/zinc/35/12/05/145351205.db2.gz PYHQWQUJVNFFHV-FGTMMUONSA-N 1 0 316.445 2.438 10 0 DEAERO O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261946323 304339185 /nfs/dbraw/zinc/33/91/85/304339185.db2.gz VQASXRZNBSMCSO-XWTMOSNGSA-N 1 0 314.429 2.365 10 0 DEAERO C[C@H]([NH2+]CCC1(F)CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000348434932 146271771 /nfs/dbraw/zinc/27/17/71/146271771.db2.gz WJEYGJSQNIRPRR-NSHDSACASA-N 1 0 300.399 2.267 10 0 DEAERO Brc1cnc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)s1 ZINC000565333703 292154934 /nfs/dbraw/zinc/15/49/34/292154934.db2.gz ZRPORNLWCZYBMK-SSDOTTSWSA-N 1 0 313.224 2.276 10 0 DEAERO CC1=CCN(CC[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000358253350 147101697 /nfs/dbraw/zinc/10/16/97/147101697.db2.gz OMXJNDVMRVFQAR-MRXNPFEDSA-N 1 0 322.474 2.090 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc2c(c1)CCO2 ZINC000358268849 147102512 /nfs/dbraw/zinc/10/25/12/147102512.db2.gz YSCDSBSLQZEXPR-INIZCTEOSA-N 1 0 302.418 2.155 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(C)Cc2ccc(O)cc2)CC1 ZINC000358630914 147169713 /nfs/dbraw/zinc/16/97/13/147169713.db2.gz BIAKDBWIDJSMCB-UHFFFAOYSA-N 1 0 303.406 2.186 10 0 DEAERO CCO[C@H]1C[C@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)C1(C)C ZINC000358672296 147178095 /nfs/dbraw/zinc/17/80/95/147178095.db2.gz VMFKXNCDTLFIGI-HOTGVXAUSA-N 1 0 323.481 2.483 10 0 DEAERO C[C@](O)(CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000358676480 147179611 /nfs/dbraw/zinc/17/96/11/147179611.db2.gz DHMDWMGSLVAFPE-JZXOWHBKSA-N 1 0 323.481 2.244 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3C[C@H](C)[NH+](C)[C@@H](C)C3)cc2)c1 ZINC000358686032 147180895 /nfs/dbraw/zinc/18/08/95/147180895.db2.gz SIWDSXGAOFMZMB-GJZGRUSLSA-N 1 0 312.417 2.345 10 0 DEAERO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCOCC3)n2)CCO1 ZINC000359101410 147261842 /nfs/dbraw/zinc/26/18/42/147261842.db2.gz IDNGALDXFPBPNC-WBVHZDCISA-N 1 0 319.449 2.211 10 0 DEAERO C[C@@H](C(=O)NCc1ccc2cc[nH]c2n1)[NH+]1CCCCCC1 ZINC000359407029 147322289 /nfs/dbraw/zinc/32/22/89/147322289.db2.gz BNVNPTNGXQVMOU-ZDUSSCGKSA-N 1 0 300.406 2.444 10 0 DEAERO COC(=O)[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000360335290 147357897 /nfs/dbraw/zinc/35/78/97/147357897.db2.gz GIXLIQOUVHXUSF-ZTFGCOKTSA-N 1 0 316.445 2.438 10 0 DEAERO COCc1nccc([C@H]2CCC[N@H+](Cc3c[nH]nc3C)C2)n1 ZINC000371410324 148099590 /nfs/dbraw/zinc/09/95/90/148099590.db2.gz COXBDLJQQRQQTL-ZDUSSCGKSA-N 1 0 301.394 2.034 10 0 DEAERO COCCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000374593799 148266920 /nfs/dbraw/zinc/26/69/20/148266920.db2.gz NPFVZXWQUWRRLF-JKSUJKDBSA-N 1 0 320.433 2.071 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000375135304 148334819 /nfs/dbraw/zinc/33/48/19/148334819.db2.gz PLSZWAQJTWLNGA-IAGOWNOFSA-N 1 0 323.481 2.461 10 0 DEAERO CC(C)N1CC[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)C1=O ZINC000375206016 148342682 /nfs/dbraw/zinc/34/26/82/148342682.db2.gz GKBWTGMMGDCGIO-HFCFLWKCSA-N 1 0 316.445 2.416 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(C)C)CC(C)C ZINC000111867151 401726324 /nfs/dbraw/zinc/72/63/24/401726324.db2.gz UJICDOJKCGJQND-INIZCTEOSA-N 1 0 313.486 2.421 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000074167324 401731992 /nfs/dbraw/zinc/73/19/92/401731992.db2.gz MGKIAVDARJONTE-CZUORRHYSA-N 1 0 309.454 2.070 10 0 DEAERO CCc1cnc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)s1 ZINC000074841926 401744629 /nfs/dbraw/zinc/74/46/29/401744629.db2.gz SKPVYMYTAJTELV-AWEZNQCLSA-N 1 0 324.494 2.230 10 0 DEAERO C[NH+]1CCN(c2ncccc2CNc2ccnc(C3CC3)n2)CC1 ZINC000110308969 401688972 /nfs/dbraw/zinc/68/89/72/401688972.db2.gz HESDSXQZAXIZHP-UHFFFAOYSA-N 1 0 324.432 2.113 10 0 DEAERO CCCn1cc(CN(C)[C@H](CO)c2ccc(OC)cc2)cn1 ZINC000126418508 401693382 /nfs/dbraw/zinc/69/33/82/401693382.db2.gz NFKWHMRSTBVAJP-QGZVFWFLSA-N 1 0 303.406 2.467 10 0 DEAERO Cc1nnc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)n1C1CC1 ZINC000127716072 401746903 /nfs/dbraw/zinc/74/69/03/401746903.db2.gz OZEKSURUQMEBRK-GJZGRUSLSA-N 1 0 300.410 2.391 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)cc1F ZINC000126621383 401701678 /nfs/dbraw/zinc/70/16/78/401701678.db2.gz XFULBYHPWMMYRZ-MNOVXSKESA-N 1 0 307.369 2.161 10 0 DEAERO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cnn3c2CCCC3)C1 ZINC000126944089 401714260 /nfs/dbraw/zinc/71/42/60/401714260.db2.gz LNRSTVQYQXVHPE-HNNXBMFYSA-N 1 0 318.465 2.461 10 0 DEAERO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H]2C[C@@H]2C)CC1 ZINC000127036387 401717452 /nfs/dbraw/zinc/71/74/52/401717452.db2.gz IAHBEBXQLVOZEZ-HOCLYGCPSA-N 1 0 311.470 2.175 10 0 DEAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000114503645 401802324 /nfs/dbraw/zinc/80/23/24/401802324.db2.gz BWSKQPHRSSYMMD-FGTMMUONSA-N 1 0 305.418 2.208 10 0 DEAERO CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114495672 401802401 /nfs/dbraw/zinc/80/24/01/401802401.db2.gz SERIUQXOYBURFZ-SFHVURJKSA-N 1 0 322.449 2.268 10 0 DEAERO COc1ccc([C@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000129365531 401802978 /nfs/dbraw/zinc/80/29/78/401802978.db2.gz NTBLYUONHLKCJJ-STQMWFEESA-N 1 0 323.412 2.488 10 0 DEAERO C[NH+]1CCC(NC(=O)Cc2ccc(Br)s2)CC1 ZINC000114558898 401803577 /nfs/dbraw/zinc/80/35/77/401803577.db2.gz KXVQPFXIGNRVMW-UHFFFAOYSA-N 1 0 317.252 2.264 10 0 DEAERO C[C@H](CC[NH2+]Cc1cnn(Cc2ccccc2)c1)[S@@](C)=O ZINC000129507464 401805353 /nfs/dbraw/zinc/80/53/53/401805353.db2.gz OMGVFGFCDDHBRV-SZNDQCEHSA-N 1 0 305.447 2.178 10 0 DEAERO C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129547057 401805757 /nfs/dbraw/zinc/80/57/57/401805757.db2.gz OBNPMBFDTFXZQF-UONOGXRCSA-N 1 0 322.453 2.082 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000127954413 401757106 /nfs/dbraw/zinc/75/71/06/401757106.db2.gz BWOJDYXVMMCHSH-UHFFFAOYSA-N 1 0 313.804 2.444 10 0 DEAERO C[NH+](C)C1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000127961890 401757280 /nfs/dbraw/zinc/75/72/80/401757280.db2.gz SGAXFNJPGWIICI-KRWDZBQOSA-N 1 0 301.434 2.032 10 0 DEAERO CC1(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)COC1 ZINC000112753474 401757563 /nfs/dbraw/zinc/75/75/63/401757563.db2.gz YQOQKFFKJOPZIJ-INIZCTEOSA-N 1 0 323.481 2.321 10 0 DEAERO O=C(CC[NH2+][C@H]1CCCC[C@H]1n1cccn1)N1CCCCC1 ZINC000128074400 401761732 /nfs/dbraw/zinc/76/17/32/401761732.db2.gz VUUYQLSLKGNOOA-JKSUJKDBSA-N 1 0 304.438 2.359 10 0 DEAERO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000128295723 401770413 /nfs/dbraw/zinc/77/04/13/401770413.db2.gz SNGGHXFCWVONKM-IAGOWNOFSA-N 1 0 302.418 2.389 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCn1cnc2ccccc21 ZINC000113226584 401770871 /nfs/dbraw/zinc/77/08/71/401770871.db2.gz CNLHNOJEOOECRD-HUUCEWRRSA-N 1 0 312.417 2.122 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc(-c2ccccc2)nc1 ZINC000113226951 401770892 /nfs/dbraw/zinc/77/08/92/401770892.db2.gz GBAOJSKYQZLVTB-WMLDXEAASA-N 1 0 322.412 2.452 10 0 DEAERO COCCOC[C@H]1CC[N@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000075948909 401774568 /nfs/dbraw/zinc/77/45/68/401774568.db2.gz LKLGQZJFAGCXHU-HNNXBMFYSA-N 1 0 308.422 2.192 10 0 DEAERO C[NH+](C)CC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113443958 401779164 /nfs/dbraw/zinc/77/91/64/401779164.db2.gz PKMOYQATBAOMHB-HNNXBMFYSA-N 1 0 312.417 2.344 10 0 DEAERO C[C@H](c1nc(-c2cccnc2)no1)N1CCC([NH+](C)C)CC1 ZINC000113500090 401779843 /nfs/dbraw/zinc/77/98/43/401779843.db2.gz DEIYHXKQZQBGNI-GFCCVEGCSA-N 1 0 301.394 2.219 10 0 DEAERO COCc1cccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113590675 401783053 /nfs/dbraw/zinc/78/30/53/401783053.db2.gz DHPPUYMETGGVID-WMLDXEAASA-N 1 0 317.433 2.211 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H](COC)C2)CC1 ZINC000113609044 401784083 /nfs/dbraw/zinc/78/40/83/401784083.db2.gz FVBGZUBAVBTGCT-MRXNPFEDSA-N 1 0 311.470 2.176 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000076489082 401796428 /nfs/dbraw/zinc/79/64/28/401796428.db2.gz UCHBRPDMTAWGAQ-PBHICJAKSA-N 1 0 304.434 2.426 10 0 DEAERO [NH3+][C@@H]1CCO[C@@H]1c1ncc(Br)cc1Br ZINC000130220257 401823393 /nfs/dbraw/zinc/82/33/93/401823393.db2.gz VFILQCIAAYCNDG-APPZFPTMSA-N 1 0 322.000 2.395 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000115585407 401832380 /nfs/dbraw/zinc/83/23/80/401832380.db2.gz RWROHVIWLRGYPJ-ZDUSSCGKSA-N 1 0 316.492 2.327 10 0 DEAERO C[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCCO1 ZINC000115694257 401835514 /nfs/dbraw/zinc/83/55/14/401835514.db2.gz DROUPBJYBWKAIR-BLLLJJGKSA-N 1 0 323.412 2.254 10 0 DEAERO CC(C)NC(=O)CC[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000025926562 401837940 /nfs/dbraw/zinc/83/79/40/401837940.db2.gz XEJSNOZTRJWFSJ-CQSZACIVSA-N 1 0 315.421 2.175 10 0 DEAERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)no1 ZINC000116243733 401846152 /nfs/dbraw/zinc/84/61/52/401846152.db2.gz KRYXLGPIPPQALF-WFASDCNBSA-N 1 0 314.389 2.018 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](CC(=O)N(C3CC3)C3CCCC3)C2)cn1 ZINC000116309900 401848442 /nfs/dbraw/zinc/84/84/42/401848442.db2.gz RPPMTHFHEITFEG-CQSZACIVSA-N 1 0 316.449 2.143 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000131691308 401854990 /nfs/dbraw/zinc/85/49/90/401854990.db2.gz BDJRRHLVIHWFHK-WMLDXEAASA-N 1 0 312.417 2.249 10 0 DEAERO Cc1ccccc1[C@@H](C)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116785130 401858702 /nfs/dbraw/zinc/85/87/02/401858702.db2.gz KTKCLUZYBVIHNY-HOTGVXAUSA-N 1 0 304.434 2.278 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)Cc2cccc(F)c2)C[C@H]1CC ZINC000116769596 401858894 /nfs/dbraw/zinc/85/88/94/401858894.db2.gz YBGBQDIWOTVZIG-QGZVFWFLSA-N 1 0 322.424 2.328 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)CCO1 ZINC000116793854 401859477 /nfs/dbraw/zinc/85/94/77/401859477.db2.gz YTGAXJQGKNWVCN-OAHLLOKOSA-N 1 0 310.825 2.062 10 0 DEAERO Cc1cc(C)c(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000117040565 401867786 /nfs/dbraw/zinc/86/77/86/401867786.db2.gz PHDFKRQGJGAXNW-INIZCTEOSA-N 1 0 319.449 2.084 10 0 DEAERO COCCC1(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CCCC1 ZINC000119077302 401924417 /nfs/dbraw/zinc/92/44/17/401924417.db2.gz GCFKZDTUNKNDMX-INIZCTEOSA-N 1 0 321.465 2.239 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1-c1c(F)cccc1F ZINC000135250187 401931871 /nfs/dbraw/zinc/93/18/71/401931871.db2.gz GIKHYLDFJWSWEU-JTQLQIEISA-N 1 0 320.343 2.179 10 0 DEAERO O=C(CCOc1cccc(Cl)c1Cl)N1CC[NH2+]CC1 ZINC000032067378 401875928 /nfs/dbraw/zinc/87/59/28/401875928.db2.gz VUHMSHHWKNQEFB-UHFFFAOYSA-N 1 0 303.189 2.194 10 0 DEAERO C[C@H](Oc1cccnc1)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000117746968 401882814 /nfs/dbraw/zinc/88/28/14/401882814.db2.gz PCTBBNHFUMNBLV-WMLDXEAASA-N 1 0 313.401 2.268 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC000117805336 401884740 /nfs/dbraw/zinc/88/47/40/401884740.db2.gz ZDNNCABRSLKPEG-GJZGRUSLSA-N 1 0 302.418 2.353 10 0 DEAERO C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCCc3n[nH]cc32)([NH+](C)C)C1 ZINC000133437044 401886221 /nfs/dbraw/zinc/88/62/21/401886221.db2.gz VSEGJNJFVUNGOP-LBTNJELSSA-N 1 0 318.465 2.456 10 0 DEAERO COc1ccc(C(C)(C)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000133582397 401891237 /nfs/dbraw/zinc/89/12/37/401891237.db2.gz COSCBTNURIIETQ-AWEZNQCLSA-N 1 0 320.433 2.192 10 0 DEAERO CCc1oc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000133735770 401894158 /nfs/dbraw/zinc/89/41/58/401894158.db2.gz RYDVQUIYRVZYRH-CQSZACIVSA-N 1 0 322.449 2.315 10 0 DEAERO C[N@H+](CCNS(=O)(=O)c1cccc2ccccc21)C1CC1 ZINC000083981976 401901105 /nfs/dbraw/zinc/90/11/05/401901105.db2.gz CFOWWUKDEBQLNC-UHFFFAOYSA-N 1 0 304.415 2.212 10 0 DEAERO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCc2n[nH]cc21 ZINC000134468810 401904038 /nfs/dbraw/zinc/90/40/38/401904038.db2.gz LCCCEYAFEAEMET-OAHLLOKOSA-N 1 0 316.449 2.353 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cc1NC(C)=O ZINC000134634462 401909781 /nfs/dbraw/zinc/90/97/81/401909781.db2.gz HUFXRQPHSIHNBP-CORIIIEPSA-N 1 0 304.390 2.241 10 0 DEAERO CC(C)[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000037799888 401917708 /nfs/dbraw/zinc/91/77/08/401917708.db2.gz GRMAYEIUYLTIQC-ZDUSSCGKSA-N 1 0 315.870 2.029 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000135007032 401924089 /nfs/dbraw/zinc/92/40/89/401924089.db2.gz QMVRJWVWZMRVTL-UHFFFAOYSA-N 1 0 314.788 2.321 10 0 DEAERO CC1(C)CC(NC(=O)[C@H]2CCCc3n[nH]cc32)CC(C)(C)[NH2+]1 ZINC000135826638 401953912 /nfs/dbraw/zinc/95/39/12/401953912.db2.gz ZAXGEWVAXLXGSW-LBPRGKRZSA-N 1 0 304.438 2.255 10 0 DEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000119492348 401954329 /nfs/dbraw/zinc/95/43/29/401954329.db2.gz HBJMQIVMOPMCBA-KGLIPLIRSA-N 1 0 315.421 2.175 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1nc2ccccc2s1 ZINC000119592818 401960901 /nfs/dbraw/zinc/96/09/01/401960901.db2.gz LEOXZTFTGWWNJN-LBPRGKRZSA-N 1 0 319.430 2.137 10 0 DEAERO CCCS(=O)(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119689795 401963352 /nfs/dbraw/zinc/96/33/52/401963352.db2.gz SOUATCTVNHWWDU-MRXNPFEDSA-N 1 0 310.463 2.371 10 0 DEAERO Cc1ccc(CCNC(=O)NC2CCC(C[NH+](C)C)CC2)cn1 ZINC000119680223 401963657 /nfs/dbraw/zinc/96/36/57/401963657.db2.gz ZHLHQCHCWVSNAG-UHFFFAOYSA-N 1 0 318.465 2.352 10 0 DEAERO CCOc1ccccc1OCC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000046859335 401974487 /nfs/dbraw/zinc/97/44/87/401974487.db2.gz JSDGBGMABOMQHG-HNNXBMFYSA-N 1 0 320.433 2.455 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(-n2nccn2)cc1 ZINC000048330566 401998569 /nfs/dbraw/zinc/99/85/69/401998569.db2.gz VSSRVJNTQURGDS-CYBMUJFWSA-N 1 0 316.409 2.119 10 0 DEAERO Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000137153752 401979853 /nfs/dbraw/zinc/97/98/53/401979853.db2.gz YHPDPSHDNSNMPY-GDBMZVCRSA-N 1 0 302.422 2.016 10 0 DEAERO CCc1nc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cs1 ZINC000120153753 401980404 /nfs/dbraw/zinc/98/04/04/401980404.db2.gz DSYZMILGXDMBSU-AAEUAGOBSA-N 1 0 310.467 2.233 10 0 DEAERO COc1ccccc1NC(=O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000047405805 401981905 /nfs/dbraw/zinc/98/19/05/401981905.db2.gz JGVSEQGLAZRKCL-CYBMUJFWSA-N 1 0 304.390 2.135 10 0 DEAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000145767758 401991740 /nfs/dbraw/zinc/99/17/40/401991740.db2.gz BWFHYGSOBUCUDR-WMZOPIPTSA-N 1 0 319.493 2.338 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccccc1Br ZINC000149004428 401992823 /nfs/dbraw/zinc/99/28/23/401992823.db2.gz BKZQFFJRISULIJ-NWDGAFQWSA-N 1 0 324.222 2.357 10 0 DEAERO CCOc1cccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000048119775 401994296 /nfs/dbraw/zinc/99/42/96/401994296.db2.gz BYJZBWANMXTVBD-OAHLLOKOSA-N 1 0 321.421 2.054 10 0 DEAERO Cc1ccc(F)cc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000043276417 401937812 /nfs/dbraw/zinc/93/78/12/401937812.db2.gz LOAJFOOBVNUSIQ-AWEZNQCLSA-N 1 0 309.385 2.102 10 0 DEAERO CCCn1nccc1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000043720987 401939274 /nfs/dbraw/zinc/93/92/74/401939274.db2.gz COMQLKDGJDMIQJ-UHFFFAOYSA-N 1 0 305.426 2.385 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)CCc1ccnn1C)CC(C)C ZINC000119388197 401946130 /nfs/dbraw/zinc/94/61/30/401946130.db2.gz GBQQFFQYSXAJMV-INIZCTEOSA-N 1 0 308.470 2.225 10 0 DEAERO C[N@@H+]1CCC[C@@H]1CCN1CCCN(C(=O)c2cccs2)CC1 ZINC000089427941 401946495 /nfs/dbraw/zinc/94/64/95/401946495.db2.gz ICIBIHCWFWHVCL-OAHLLOKOSA-N 1 0 321.490 2.380 10 0 DEAERO C[C@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)O1 ZINC000151040283 402012528 /nfs/dbraw/zinc/01/25/28/402012528.db2.gz RSQAIOMPUQTQJP-XJKSGUPXSA-N 1 0 308.397 2.283 10 0 DEAERO COCCCNC(=O)C[N@@H+]1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000151046819 402012855 /nfs/dbraw/zinc/01/28/55/402012855.db2.gz VFHAGDNUCTUJFZ-GOEBONIOSA-N 1 0 320.433 2.026 10 0 DEAERO COCCOc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000093479675 402015854 /nfs/dbraw/zinc/01/58/54/402015854.db2.gz SDEIPAOKGKUXIX-BYICEURKSA-N 1 0 305.418 2.305 10 0 DEAERO COCCC[NH+]1CCC(NC(=O)NCCC2=CCCC2)CC1 ZINC000121134163 402016839 /nfs/dbraw/zinc/01/68/39/402016839.db2.gz VDEDMWLECKJRIN-UHFFFAOYSA-N 1 0 309.454 2.287 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(C(N)=S)cc1 ZINC000049560027 402019355 /nfs/dbraw/zinc/01/93/55/402019355.db2.gz GCNMCHMWBXNJFK-CQSZACIVSA-N 1 0 307.463 2.027 10 0 DEAERO OCc1nc2cccnc2n1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095078436 402024419 /nfs/dbraw/zinc/02/44/19/402024419.db2.gz WWSCFWBTBODPMI-MRXNPFEDSA-N 1 0 322.412 2.446 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(C[NH2+]CC(=O)c2ccc[nH]2)CC1 ZINC000095083945 402024825 /nfs/dbraw/zinc/02/48/25/402024825.db2.gz ITARKYRKSYBLOH-UHFFFAOYSA-N 1 0 321.421 2.434 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)CCCn2ccnc2)CC1 ZINC000151391794 402033928 /nfs/dbraw/zinc/03/39/28/402033928.db2.gz HOSISPBAMXBTAC-UHFFFAOYSA-N 1 0 321.469 2.037 10 0 DEAERO O[C@H](C[N@H+](CCc1ccccc1)[C@@H]1CCOC1)C(F)(F)F ZINC000121457512 402037369 /nfs/dbraw/zinc/03/73/69/402037369.db2.gz NZIJRNZVRGOPDT-ZIAGYGMSSA-N 1 0 303.324 2.243 10 0 DEAERO COc1c(CN(C)CCOc2ccccc2F)c(C)nn1C ZINC000121521758 402041376 /nfs/dbraw/zinc/04/13/76/402041376.db2.gz UEAHZIPPDVDQHT-UHFFFAOYSA-N 1 0 307.369 2.387 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CC[N@@H+]1C ZINC000122295947 402071102 /nfs/dbraw/zinc/07/11/02/402071102.db2.gz LLUOPPMHDVXFGV-OXGONZEZSA-N 1 0 309.454 2.068 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000152323356 402089523 /nfs/dbraw/zinc/08/95/23/402089523.db2.gz QHSFTQCUSSHUDZ-DGCLKSJQSA-N 1 0 323.824 2.302 10 0 DEAERO COc1cccc(CO[C@@H](C)C(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000152710898 402104823 /nfs/dbraw/zinc/10/48/23/402104823.db2.gz KXYOOBGPUURNMY-GJZGRUSLSA-N 1 0 320.433 2.106 10 0 DEAERO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)C1CC1 ZINC000152807031 402109674 /nfs/dbraw/zinc/10/96/74/402109674.db2.gz HKHJPBFVELLBBH-FRFSOERESA-N 1 0 306.450 2.277 10 0 DEAERO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)NCC2CCCCC2)CCN1C ZINC000123131148 402111828 /nfs/dbraw/zinc/11/18/28/402111828.db2.gz VJKLPTMTDWCODA-NVXWUHKLSA-N 1 0 309.498 2.488 10 0 DEAERO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000123130031 402112122 /nfs/dbraw/zinc/11/21/22/402112122.db2.gz LPIOIMMAXWKUGQ-MRXNPFEDSA-N 1 0 314.389 2.116 10 0 DEAERO C[C@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123146780 402113309 /nfs/dbraw/zinc/11/33/09/402113309.db2.gz WCSAJCRNVBGWRY-RDJZCZTQSA-N 1 0 303.450 2.060 10 0 DEAERO Cc1cc(NC(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)no1 ZINC000152939413 402118324 /nfs/dbraw/zinc/11/83/24/402118324.db2.gz SXWFPKXAJKUWQP-AWEZNQCLSA-N 1 0 307.394 2.345 10 0 DEAERO COC(=O)c1cccc(OCC[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000153062787 402124731 /nfs/dbraw/zinc/12/47/31/402124731.db2.gz WJIOOXPBMBJDBE-NVXWUHKLSA-N 1 0 319.401 2.353 10 0 DEAERO Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1F ZINC000153085596 402125887 /nfs/dbraw/zinc/12/58/87/402125887.db2.gz UWAMVZUOAIISKX-WBVHZDCISA-N 1 0 320.408 2.251 10 0 DEAERO COc1cc(OC)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123425301 402127228 /nfs/dbraw/zinc/12/72/28/402127228.db2.gz PFKJMXKAKWBZHF-TZMCWYRMSA-N 1 0 306.406 2.259 10 0 DEAERO Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000153152980 402130176 /nfs/dbraw/zinc/13/01/76/402130176.db2.gz FPINEMFUQFCQGT-QZTJIDSGSA-N 1 0 316.445 2.155 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000123480845 402130242 /nfs/dbraw/zinc/13/02/42/402130242.db2.gz DQJAUKIJBOIDDG-UONOGXRCSA-N 1 0 308.426 2.227 10 0 DEAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000066391727 402132147 /nfs/dbraw/zinc/13/21/47/402132147.db2.gz RVEUJXKXFRDHTJ-RKDXNWHRSA-N 1 0 315.776 2.364 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000123524471 402132170 /nfs/dbraw/zinc/13/21/70/402132170.db2.gz MSIMMJBESJRAIN-KRWDZBQOSA-N 1 0 318.461 2.289 10 0 DEAERO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066391726 402132227 /nfs/dbraw/zinc/13/22/27/402132227.db2.gz RVEUJXKXFRDHTJ-IUCAKERBSA-N 1 0 315.776 2.364 10 0 DEAERO CCC(CC)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)CO)[NH+]1CCCC1 ZINC000153249815 402135469 /nfs/dbraw/zinc/13/54/69/402135469.db2.gz SZFCVKWCIJMYGS-DZKIICNBSA-N 1 0 313.486 2.203 10 0 DEAERO Cc1sc2nc(CN3CC[NH+](C4CC4)CC3)nc(N)c2c1C ZINC000123782123 402145359 /nfs/dbraw/zinc/14/53/59/402145359.db2.gz DJMUHJUPDUIZRX-UHFFFAOYSA-N 1 0 317.462 2.170 10 0 DEAERO COCCOc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123776268 402145542 /nfs/dbraw/zinc/14/55/42/402145542.db2.gz DMLKIAKZCFRMKA-GOEBONIOSA-N 1 0 320.433 2.267 10 0 DEAERO COCCOc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123776476 402145802 /nfs/dbraw/zinc/14/58/02/402145802.db2.gz DMLKIAKZCFRMKA-ZBFHGGJFSA-N 1 0 320.433 2.267 10 0 DEAERO COCCCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067005046 402149983 /nfs/dbraw/zinc/14/99/83/402149983.db2.gz HUZQZLHAYQDWKT-KRWDZBQOSA-N 1 0 319.449 2.377 10 0 DEAERO CCN(CC)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000067354555 402157301 /nfs/dbraw/zinc/15/73/01/402157301.db2.gz YPQXILMYLDNZTJ-UHFFFAOYSA-N 1 0 317.433 2.132 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)Cc2noc3ccccc32)CC[N@@H+]1C ZINC000124466045 402181076 /nfs/dbraw/zinc/18/10/76/402181076.db2.gz NILYDXHGEHLFCA-QWHCGFSZSA-N 1 0 301.390 2.311 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)Cc2noc3ccccc32)CC[N@@H+]1C ZINC000124466465 402181175 /nfs/dbraw/zinc/18/11/75/402181175.db2.gz NILYDXHGEHLFCA-STQMWFEESA-N 1 0 301.390 2.311 10 0 DEAERO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(C)c1 ZINC000124481504 402182018 /nfs/dbraw/zinc/18/20/18/402182018.db2.gz ZBIQTYBMZFIJFY-GOSISDBHSA-N 1 0 316.445 2.374 10 0 DEAERO CCOc1ccc(OCC[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000103284772 402183369 /nfs/dbraw/zinc/18/33/69/402183369.db2.gz VGUSAKARRADREX-UONOGXRCSA-N 1 0 306.406 2.050 10 0 DEAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc2c1OCOC2 ZINC000103285734 402183759 /nfs/dbraw/zinc/18/37/59/402183759.db2.gz QCOALAJBCHAWOM-WDEREUQCSA-N 1 0 324.808 2.292 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)Cc2cc(C)n[nH]2)CC1 ZINC000124608947 402188289 /nfs/dbraw/zinc/18/82/89/402188289.db2.gz CDRZSFQUNGUVGE-CYBMUJFWSA-N 1 0 321.469 2.070 10 0 DEAERO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1Cl ZINC000104075816 402197829 /nfs/dbraw/zinc/19/78/29/402197829.db2.gz LMEDPGDBGUTZCY-RYUDHWBXSA-N 1 0 323.824 2.173 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000124826257 402199243 /nfs/dbraw/zinc/19/92/43/402199243.db2.gz KDBFSSYKXQFSKA-GXTWGEPZSA-N 1 0 304.390 2.013 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000101954576 402159166 /nfs/dbraw/zinc/15/91/66/402159166.db2.gz ITRTZIRKDJCRTF-UHFFFAOYSA-N 1 0 304.369 2.286 10 0 DEAERO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000067459434 402160101 /nfs/dbraw/zinc/16/01/01/402160101.db2.gz YZNHTTRXDZSMRI-HOCLYGCPSA-N 1 0 311.422 2.437 10 0 DEAERO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000102927454 402174818 /nfs/dbraw/zinc/17/48/18/402174818.db2.gz WHZIJCHFYCOVSB-IXDOHACOSA-N 1 0 306.450 2.421 10 0 DEAERO CCNc1ncc(CN2CCC[N@@H+](C3CCCC3)CC2)cn1 ZINC000067841386 402175043 /nfs/dbraw/zinc/17/50/43/402175043.db2.gz NBALKIIEKQGHBZ-UHFFFAOYSA-N 1 0 303.454 2.359 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000153883718 402177309 /nfs/dbraw/zinc/17/73/09/402177309.db2.gz ADZMAQUZWRYIRQ-CQSZACIVSA-N 1 0 306.381 2.338 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1F ZINC000069136416 402214330 /nfs/dbraw/zinc/21/43/30/402214330.db2.gz XRYNOGNGHAIVIO-CMPLNLGQSA-N 1 0 301.383 2.062 10 0 DEAERO COc1ccc2oc(C[NH2+]C[C@H]3CN(C4CC4)CCO3)cc2c1 ZINC000125173958 402217383 /nfs/dbraw/zinc/21/73/83/402217383.db2.gz LSPPVYHRJSIRRT-KRWDZBQOSA-N 1 0 316.401 2.394 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000106868052 402219515 /nfs/dbraw/zinc/21/95/15/402219515.db2.gz MSYZMPWDSWGCBB-QAPCUYQASA-N 1 0 320.433 2.493 10 0 DEAERO CC(C)Oc1cncc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000154652946 402224173 /nfs/dbraw/zinc/22/41/73/402224173.db2.gz UWTNUNSTZNETPL-CJNGLKHVSA-N 1 0 305.422 2.327 10 0 DEAERO COc1ccccc1C[C@H](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000107246895 402228733 /nfs/dbraw/zinc/22/87/33/402228733.db2.gz MOESILUBBVKFAJ-HOCLYGCPSA-N 1 0 304.434 2.426 10 0 DEAERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000070739939 402264108 /nfs/dbraw/zinc/26/41/08/402264108.db2.gz JHFIBZLDWSJGEK-CHWSQXEVSA-N 1 0 306.406 2.269 10 0 DEAERO COc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1OC ZINC000125501521 402236060 /nfs/dbraw/zinc/23/60/60/402236060.db2.gz JNYHFKJPHIFHIH-RDTXWAMCSA-N 1 0 323.433 2.452 10 0 DEAERO COc1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)c(O)c1 ZINC000070828065 402265350 /nfs/dbraw/zinc/26/53/50/402265350.db2.gz QYOCOPAPCQPCSX-UHFFFAOYSA-N 1 0 306.406 2.395 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000155563345 402260779 /nfs/dbraw/zinc/26/07/79/402260779.db2.gz GJXMUNRITAKIKM-CQSZACIVSA-N 1 0 320.433 2.314 10 0 DEAERO COc1ccc(OC)c(-c2cc(N3CCC[C@H]([NH3+])C3)n[nH]2)c1 ZINC000070460140 402261352 /nfs/dbraw/zinc/26/13/52/402261352.db2.gz VFKLPYYYDHIIAF-NSHDSACASA-N 1 0 302.378 2.021 10 0 DEAERO COc1ccccc1-c1cc2c(N3CCC[C@H]([NH3+])C3)nccn2n1 ZINC000070459280 402261630 /nfs/dbraw/zinc/26/16/30/402261630.db2.gz VETDZUJUQTVAEW-ZDUSSCGKSA-N 1 0 323.400 2.332 10 0 DEAERO [NH3+][C@H]1CCCN(c2cccc(I)c2)C1 ZINC000070584946 402262385 /nfs/dbraw/zinc/26/23/85/402262385.db2.gz UYAWSUZVBINMSL-JTQLQIEISA-N 1 0 302.159 2.219 10 0 DEAERO CC(C)c1ccccc1NC(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105927259 402211704 /nfs/dbraw/zinc/21/17/04/402211704.db2.gz FKZCFNVTQMFUGJ-HNNXBMFYSA-N 1 0 319.449 2.011 10 0 DEAERO CCC(=O)Nc1cccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1 ZINC000155754325 402266593 /nfs/dbraw/zinc/26/65/93/402266593.db2.gz QEWUPJBTFZPGEK-STQMWFEESA-N 1 0 303.406 2.200 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CSCc1cscn1 ZINC000126168113 402267974 /nfs/dbraw/zinc/26/79/74/402267974.db2.gz WATASHKRNOQXLE-LBPRGKRZSA-N 1 0 315.508 2.469 10 0 DEAERO CCOc1cc(C[N@H+](C)CC)ccc1O[C@H](C)C(=O)N(C)C ZINC000126267044 402272362 /nfs/dbraw/zinc/27/23/62/402272362.db2.gz PUNLMWKMUGSJAA-CYBMUJFWSA-N 1 0 308.422 2.393 10 0 DEAERO CCOC(=O)CCC[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000109814983 402276810 /nfs/dbraw/zinc/27/68/10/402276810.db2.gz FQGKEJIHVUIXEO-HNNXBMFYSA-N 1 0 304.390 2.067 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cncc(O)c1 ZINC000109934653 402279498 /nfs/dbraw/zinc/27/94/98/402279498.db2.gz PHWFVGRHTZXBIK-UHFFFAOYSA-N 1 0 311.385 2.313 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(F)cc1C ZINC000110086661 402281137 /nfs/dbraw/zinc/28/11/37/402281137.db2.gz QBYJNCBNZGYRQC-AWEZNQCLSA-N 1 0 309.385 2.366 10 0 DEAERO CC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000176194706 402288659 /nfs/dbraw/zinc/28/86/59/402288659.db2.gz UIGZNZGTJRXUCI-HZPDHXFCSA-N 1 0 318.417 2.109 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)N2CCCCC2=O)C1 ZINC000176292118 402297447 /nfs/dbraw/zinc/29/74/47/402297447.db2.gz VAXPXIFJQOAYQK-JKSUJKDBSA-N 1 0 323.481 2.014 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(O)c(F)c1 ZINC000176390015 402305498 /nfs/dbraw/zinc/30/54/98/402305498.db2.gz FKDPXTQRJAQMFQ-ZDUSSCGKSA-N 1 0 309.385 2.157 10 0 DEAERO COC1(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CCCCC1 ZINC000184871235 402306532 /nfs/dbraw/zinc/30/65/32/402306532.db2.gz QCGXHUQQQKAFLC-CABCVRRESA-N 1 0 311.470 2.364 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000176407916 402306970 /nfs/dbraw/zinc/30/69/70/402306970.db2.gz JLPUZLGRFWISBE-NWDGAFQWSA-N 1 0 311.451 2.325 10 0 DEAERO CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176419459 402307698 /nfs/dbraw/zinc/30/76/98/402307698.db2.gz YLCOXEDZLRUSDD-AWEZNQCLSA-N 1 0 319.453 2.008 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)c2cccs2)CC1 ZINC000176440203 402309737 /nfs/dbraw/zinc/30/97/37/402309737.db2.gz NGUURMVTJQMOPD-ZIAGYGMSSA-N 1 0 324.490 2.403 10 0 DEAERO CC(C)[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000184937112 402310530 /nfs/dbraw/zinc/31/05/30/402310530.db2.gz GNZJNFNWMWVIOG-SFHVURJKSA-N 1 0 320.433 2.450 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cc(F)ccc1F ZINC000176459954 402311716 /nfs/dbraw/zinc/31/17/16/402311716.db2.gz SPPVOHVBRBDERE-IUODEOHRSA-N 1 0 323.387 2.385 10 0 DEAERO Cn1nccc1CC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000225559164 402320864 /nfs/dbraw/zinc/32/08/64/402320864.db2.gz QNDOALFOJLQTDL-BBRMVZONSA-N 1 0 307.344 2.049 10 0 DEAERO Cc1cccc2c(O)c(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cnc12 ZINC000185312346 402342598 /nfs/dbraw/zinc/34/25/98/402342598.db2.gz PMHOXNWBNIWXEI-ZDUSSCGKSA-N 1 0 311.385 2.169 10 0 DEAERO CC(C)C[C@@H](CO)[N@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000185328537 402344063 /nfs/dbraw/zinc/34/40/63/402344063.db2.gz XIPTUDLZLXKTLF-HNNXBMFYSA-N 1 0 313.463 2.189 10 0 DEAERO CC(C)C[C@@H](CO)[N@H+](C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000185333135 402344413 /nfs/dbraw/zinc/34/44/13/402344413.db2.gz DCASTQAZVLXIAA-GJZGRUSLSA-N 1 0 320.433 2.246 10 0 DEAERO CCc1cccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000176936273 402352570 /nfs/dbraw/zinc/35/25/70/402352570.db2.gz JYDOPVLHLQECJI-HIFRSBDPSA-N 1 0 310.463 2.352 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COc1ccc(F)cc1F ZINC000176987791 402357087 /nfs/dbraw/zinc/35/70/87/402357087.db2.gz JYSDUBLVWBMYHO-ZDUSSCGKSA-N 1 0 312.360 2.286 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CSCc1ccccn1 ZINC000176990148 402357372 /nfs/dbraw/zinc/35/73/72/402357372.db2.gz ITEASEQWUKFSBA-OAHLLOKOSA-N 1 0 307.463 2.258 10 0 DEAERO CCCC(=O)N1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176990241 402357514 /nfs/dbraw/zinc/35/75/14/402357514.db2.gz CEIGFYXRECFQNG-JKSUJKDBSA-N 1 0 323.481 2.110 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)nc2onc(C)c21 ZINC000177025541 402360845 /nfs/dbraw/zinc/36/08/45/402360845.db2.gz GVRYHOSMBYHQFR-CYBMUJFWSA-N 1 0 316.405 2.396 10 0 DEAERO COC[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000234754954 402361013 /nfs/dbraw/zinc/36/10/13/402361013.db2.gz NYTFKWWYLRKIHC-HZSPNIEDSA-N 1 0 316.442 2.073 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000177031442 402361315 /nfs/dbraw/zinc/36/13/15/402361315.db2.gz QDRGVKFRHRMDSZ-ZDUSSCGKSA-N 1 0 322.453 2.242 10 0 DEAERO COc1cccc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000234992837 402362277 /nfs/dbraw/zinc/36/22/77/402362277.db2.gz KZRRRTVJTAFWMS-CYBMUJFWSA-N 1 0 321.421 2.437 10 0 DEAERO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)CCN1C ZINC000177127149 402372181 /nfs/dbraw/zinc/37/21/81/402372181.db2.gz PDRBTXNRRAJLAP-TZMCWYRMSA-N 1 0 322.428 2.151 10 0 DEAERO CCc1oc(C(=O)OC)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177255059 402385884 /nfs/dbraw/zinc/38/58/84/402385884.db2.gz KDECRZKTBOGNCR-CQSZACIVSA-N 1 0 306.406 2.299 10 0 DEAERO COC(=O)c1coc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000185195709 402332906 /nfs/dbraw/zinc/33/29/06/402332906.db2.gz MKRHZXVECBKPSM-UHFFFAOYSA-N 1 0 320.389 2.157 10 0 DEAERO COC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000228639303 402339002 /nfs/dbraw/zinc/33/90/02/402339002.db2.gz DWUVXAKCJLTNJU-RNCFNFMXSA-N 1 0 316.195 2.024 10 0 DEAERO COC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1Br ZINC000228653781 402339016 /nfs/dbraw/zinc/33/90/16/402339016.db2.gz GGKNTEKBXWWMIH-RNCFNFMXSA-N 1 0 316.195 2.024 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc2c1OCO2 ZINC000177384247 402396871 /nfs/dbraw/zinc/39/68/71/402396871.db2.gz CRXTVFHNXZFSLW-CQSZACIVSA-N 1 0 319.405 2.041 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC1 ZINC000237145634 402397030 /nfs/dbraw/zinc/39/70/30/402397030.db2.gz PVEIXAHLOUNGNS-UHFFFAOYSA-N 1 0 311.385 2.070 10 0 DEAERO COc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c(OC)c1OC ZINC000237166581 402397738 /nfs/dbraw/zinc/39/77/38/402397738.db2.gz CKCXDUDAYOASCJ-WDEREUQCSA-N 1 0 308.378 2.168 10 0 DEAERO COC(=O)c1coc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000186169380 402407956 /nfs/dbraw/zinc/40/79/56/402407956.db2.gz LBJPHXBGTNLFOZ-NSHDSACASA-N 1 0 322.386 2.160 10 0 DEAERO CCC[C@H](C(=O)NCCc1nc2ccc(F)cc2n1C)[NH+](C)C ZINC000162075328 402408512 /nfs/dbraw/zinc/40/85/12/402408512.db2.gz PWBWVUQVPIWDCN-CQSZACIVSA-N 1 0 320.412 2.101 10 0 DEAERO CCC[C@H](C(=O)N(C)Cc1nc2ccccc2n1C)[NH+](C)C ZINC000162099419 402409564 /nfs/dbraw/zinc/40/95/64/402409564.db2.gz ZBLKXOOVKAVILB-OAHLLOKOSA-N 1 0 302.422 2.262 10 0 DEAERO CCc1nc(CNC(=O)N(C)C[C@H]2CCC[N@H+]2CC)cs1 ZINC000177497524 402409529 /nfs/dbraw/zinc/40/95/29/402409529.db2.gz WTDTVIQCXLPJAQ-CYBMUJFWSA-N 1 0 310.467 2.331 10 0 DEAERO CCC[C@@H](C(=O)N(C)Cc1nc2ccccc2n1C)[NH+](C)C ZINC000162099315 402409823 /nfs/dbraw/zinc/40/98/23/402409823.db2.gz ZBLKXOOVKAVILB-HNNXBMFYSA-N 1 0 302.422 2.262 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000177517236 402411701 /nfs/dbraw/zinc/41/17/01/402411701.db2.gz ZPXSRTNEYLPTLC-AWEZNQCLSA-N 1 0 308.426 2.181 10 0 DEAERO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237631524 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O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c[nH]nc1-c1ccc(F)cc1 ZINC000237911785 402425847 /nfs/dbraw/zinc/42/58/47/402425847.db2.gz XDXFZOHJHDTXPJ-PBWFPOADSA-N 1 0 314.364 2.229 10 0 DEAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000162603033 402426217 /nfs/dbraw/zinc/42/62/17/402426217.db2.gz GDYICZSEXNODBE-NSHDSACASA-N 1 0 306.303 2.265 10 0 DEAERO OC[C@]1([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCOC1 ZINC000186646295 402451069 /nfs/dbraw/zinc/45/10/69/402451069.db2.gz NDNHHAMKMVERAO-QGZVFWFLSA-N 1 0 324.852 2.045 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186394798 402428140 /nfs/dbraw/zinc/42/81/40/402428140.db2.gz OJWVBZINBUZIFJ-QGZVFWFLSA-N 1 0 309.406 2.209 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccnn1C(C)(C)C ZINC000186455766 402432343 /nfs/dbraw/zinc/43/23/43/402432343.db2.gz MQUCPSDVXGKNJH-QWHCGFSZSA-N 1 0 305.426 2.339 10 0 DEAERO Cc1ccc(-c2cc(C(=O)N(C[C@@H]3CCC[NH2+]3)C3CC3)[nH]n2)o1 ZINC000186533024 402439588 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O=C(Cc1ccccc1OC(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172380129 402653159 /nfs/dbraw/zinc/65/31/59/402653159.db2.gz JMXHHXDEFWEHTH-ZDUSSCGKSA-N 1 0 310.344 2.137 10 0 DEAERO O[C@H](C[NH+]1CCN(Cc2ccccn2)CC1)C1CCCCC1 ZINC000191281278 402657168 /nfs/dbraw/zinc/65/71/68/402657168.db2.gz QBDUVVUIQVTXDQ-GOSISDBHSA-N 1 0 303.450 2.140 10 0 DEAERO Cn1cc([C@H]2CC[N@@H+]([C@@H]3CCc4ccccc4NC3=O)C2)cn1 ZINC000192029259 402706507 /nfs/dbraw/zinc/70/65/07/402706507.db2.gz GXTQKGWOKYSERA-WMLDXEAASA-N 1 0 310.401 2.163 10 0 DEAERO COc1ccc(CC2CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000192031234 402706515 /nfs/dbraw/zinc/70/65/15/402706515.db2.gz IYXTZCFVFQYFMU-ZIAGYGMSSA-N 1 0 304.434 2.460 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc2c(c1)sc(=O)n2C ZINC000262012364 402721301 /nfs/dbraw/zinc/72/13/01/402721301.db2.gz MJRWKRYCOGVLCE-AAEUAGOBSA-N 1 0 305.447 2.302 10 0 DEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1F ZINC000262029127 402721311 /nfs/dbraw/zinc/72/13/11/402721311.db2.gz XJJUJHRNMRGYCA-NUEKZKHPSA-N 1 0 308.397 2.081 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(Br)c2F)C1 ZINC000192109774 402712036 /nfs/dbraw/zinc/71/20/36/402712036.db2.gz SUQZSSZJCXFMEX-SECBINFHSA-N 1 0 315.186 2.364 10 0 DEAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000173884637 402717096 /nfs/dbraw/zinc/71/70/96/402717096.db2.gz WYMABYFLLSCNMG-FZMZJTMJSA-N 1 0 316.854 2.347 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1F ZINC000173886974 402717177 /nfs/dbraw/zinc/71/71/77/402717177.db2.gz QYVLIGPGVSIANE-WFASDCNBSA-N 1 0 314.426 2.141 10 0 DEAERO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H]1CCCO1 ZINC000172548492 402662202 /nfs/dbraw/zinc/66/22/02/402662202.db2.gz QIQVDVQWUDMNNW-GDBMZVCRSA-N 1 0 309.454 2.214 10 0 DEAERO CO[C@](C)(C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1F ZINC000253335840 402662259 /nfs/dbraw/zinc/66/22/59/402662259.db2.gz ASTYJHGGRBGPJB-DEYYWGMASA-N 1 0 320.408 2.382 10 0 DEAERO 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WVGFVPGZCLYSLB-NEPJUHHUSA-N 1 0 322.478 2.392 10 0 DEAERO CCc1cccc(OCC[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000173929736 402719375 /nfs/dbraw/zinc/71/93/75/402719375.db2.gz IAUNUZZLRBVRLN-KRWDZBQOSA-N 1 0 304.434 2.034 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000182367475 402683842 /nfs/dbraw/zinc/68/38/42/402683842.db2.gz YKAZBHAEQBGHPE-LBPRGKRZSA-N 1 0 318.343 2.050 10 0 DEAERO Cn1cc(CN2CCCN(C)C(=O)C2)c(C2CCCCC2)n1 ZINC000191662342 402684938 /nfs/dbraw/zinc/68/49/38/402684938.db2.gz CQNADJUPOGVLOG-UHFFFAOYSA-N 1 0 304.438 2.132 10 0 DEAERO COc1cccc(NC(=O)CCN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000173407676 402696117 /nfs/dbraw/zinc/69/61/17/402696117.db2.gz GHCMOOJKRVAVSM-UHFFFAOYSA-N 1 0 317.433 2.194 10 0 DEAERO Cc1ccc(C[C@@H](C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000182556931 402699652 /nfs/dbraw/zinc/69/96/52/402699652.db2.gz IZDPOZBRSHKTHN-AEFFLSMTSA-N 1 0 318.461 2.137 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N(CCO)Cc1ccc(C)cc1 ZINC000182600614 402703211 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CC(C)(C)[NH2+]CCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000174235248 402732625 /nfs/dbraw/zinc/73/26/25/402732625.db2.gz XEBWTKHJEHYQDW-UHFFFAOYSA-N 1 0 321.396 2.070 10 0 DEAERO COc1cccc(F)c1[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000174355589 402737911 /nfs/dbraw/zinc/73/79/11/402737911.db2.gz DZUNFBSJBVBVJM-VXGBXAGGSA-N 1 0 309.385 2.289 10 0 DEAERO Cn1c2ccc(C[NH2+]CCCC(C)(C)CO)cc2sc1=O ZINC000192592870 402739374 /nfs/dbraw/zinc/73/93/74/402739374.db2.gz NISWIPPZYJKHFA-UHFFFAOYSA-N 1 0 308.447 2.488 10 0 DEAERO Cc1ccc(O[C@H](C)c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263135524 402744825 /nfs/dbraw/zinc/74/48/25/402744825.db2.gz CAIOJPHALQYCDP-TZMCWYRMSA-N 1 0 302.378 2.094 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183217438 402747856 /nfs/dbraw/zinc/74/78/56/402747856.db2.gz NKBGSOIUYTWVAQ-VYDXJSESSA-N 1 0 304.434 2.499 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccnn1C ZINC000192749387 402747836 /nfs/dbraw/zinc/74/78/36/402747836.db2.gz BROWFEQKBXWAEQ-NWDGAFQWSA-N 1 0 307.419 2.235 10 0 DEAERO CC[C@H]1CN(C(=O)c2ccc(C)c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174612955 402748385 /nfs/dbraw/zinc/74/83/85/402748385.db2.gz QOFYEDWCWUGMJB-HIFRSBDPSA-N 1 0 308.397 2.051 10 0 DEAERO Cc1csc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000174661782 402751360 /nfs/dbraw/zinc/75/13/60/402751360.db2.gz RMUVPCALZSCOSU-OLZOCXBDSA-N 1 0 306.435 2.168 10 0 DEAERO CSCc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)ccc1F ZINC000263267175 402752097 /nfs/dbraw/zinc/75/20/97/402752097.db2.gz RSHVGNUYVKXWHB-ZDUSSCGKSA-N 1 0 322.409 2.315 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(Br)cc2)n1 ZINC000263266479 402752269 /nfs/dbraw/zinc/75/22/69/402752269.db2.gz RQCIVPBTDIQFHE-NSHDSACASA-N 1 0 323.194 2.075 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc([C@@H]2Cc3ccccc3S2)n1 ZINC000263269676 402752918 /nfs/dbraw/zinc/75/29/18/402752918.db2.gz SARWOIBWJNQOAP-AAEUAGOBSA-N 1 0 302.403 2.035 10 0 DEAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(OCC(F)(F)F)cc1 ZINC000263301234 402755798 /nfs/dbraw/zinc/75/57/98/402755798.db2.gz NLFQZQPKCXOFNL-SECBINFHSA-N 1 0 302.296 2.024 10 0 DEAERO CC(=O)CCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000192984305 402759186 /nfs/dbraw/zinc/75/91/86/402759186.db2.gz XCLSYWAGVMHQOD-GDBMZVCRSA-N 1 0 310.344 2.195 10 0 DEAERO CN1CCN([C@H]2CCCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000174896776 402761684 /nfs/dbraw/zinc/76/16/84/402761684.db2.gz ZDZOYWHISBSWGY-IBGZPJMESA-N 1 0 301.478 2.331 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000174906287 402762115 /nfs/dbraw/zinc/76/21/15/402762115.db2.gz MCXGCRWAMHYUBO-OAHLLOKOSA-N 1 0 324.465 2.297 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)c2cccnc2)C[C@H]1CC ZINC000174919834 402763302 /nfs/dbraw/zinc/76/33/02/402763302.db2.gz CMPCIEJWRWTCAN-DOTOQJQBSA-N 1 0 319.449 2.144 10 0 DEAERO COC(=O)c1coc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000183440136 402767384 /nfs/dbraw/zinc/76/73/84/402767384.db2.gz TXPWMLZPNUGXEZ-SJCJKPOMSA-N 1 0 322.405 2.307 10 0 DEAERO Cc1noc2ncc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc12 ZINC000193269373 402769098 /nfs/dbraw/zinc/76/90/98/402769098.db2.gz FQZLBEXCFMVQFF-ZDUSSCGKSA-N 1 0 304.394 2.237 10 0 DEAERO C[NH+](C)CC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000174985341 402769283 /nfs/dbraw/zinc/76/92/83/402769283.db2.gz LKPHWQHNTOMZCE-CYBMUJFWSA-N 1 0 316.323 2.167 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)cc(OC)c1 ZINC000175015579 402771584 /nfs/dbraw/zinc/77/15/84/402771584.db2.gz BEJYVODQMRWTOL-HUUCEWRRSA-N 1 0 318.417 2.403 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000183513258 402773048 /nfs/dbraw/zinc/77/30/48/402773048.db2.gz CPRFCMTXSNUCRT-UHFFFAOYSA-N 1 0 321.384 2.263 10 0 DEAERO CCN(CC)C(=O)[C@@H](c1ccccc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193619197 402773998 /nfs/dbraw/zinc/77/39/98/402773998.db2.gz YRUHTQWYYKNVDT-FGTMMUONSA-N 1 0 315.461 2.090 10 0 DEAERO CCO[C@H](C)c1noc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)n1 ZINC000175058455 402775226 /nfs/dbraw/zinc/77/52/26/402775226.db2.gz FUDABGNNGRRFKY-HZSPNIEDSA-N 1 0 308.426 2.226 10 0 DEAERO CCCC[C@H](COC)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175083170 402777662 /nfs/dbraw/zinc/77/76/62/402777662.db2.gz YGRHPTBRVLXBLD-OWCLPIDISA-N 1 0 311.470 2.460 10 0 DEAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000182897197 402725065 /nfs/dbraw/zinc/72/50/65/402725065.db2.gz VDXGWHGNHBYZMV-CRAIPNDOSA-N 1 0 312.413 2.357 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)c2nc(C)cs2)C1 ZINC000183688473 402789262 /nfs/dbraw/zinc/78/92/62/402789262.db2.gz OPJBIQFZHYDFQX-DGCLKSJQSA-N 1 0 310.467 2.339 10 0 DEAERO CC[C@H]1CN(CC(=O)NC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000183747044 402793930 /nfs/dbraw/zinc/79/39/30/402793930.db2.gz SJAMQSDJWTWJHW-KRWDZBQOSA-N 1 0 317.477 2.498 10 0 DEAERO C[C@@H](Oc1ccccc1Cl)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195329341 402842288 /nfs/dbraw/zinc/84/22/88/402842288.db2.gz RPSCJOGAGKTFPL-CHWSQXEVSA-N 1 0 308.809 2.414 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000175361749 402800024 /nfs/dbraw/zinc/80/00/24/402800024.db2.gz ADLPBXBKAPNQCU-QGZVFWFLSA-N 1 0 321.440 2.200 10 0 DEAERO CCCCOCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194509922 402800975 /nfs/dbraw/zinc/80/09/75/402800975.db2.gz MEUBBEDJMBDTCO-UHFFFAOYSA-N 1 0 311.470 2.321 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCc1ccc(F)cc1 ZINC000175387341 402801750 /nfs/dbraw/zinc/80/17/50/402801750.db2.gz WHCHDQQJQQVXDE-INIZCTEOSA-N 1 0 307.413 2.494 10 0 DEAERO CCOC(=O)CN[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000194582102 402803675 /nfs/dbraw/zinc/80/36/75/402803675.db2.gz MRDFTLBJYCTKJF-FUHWJXTLSA-N 1 0 318.417 2.126 10 0 DEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC2 ZINC000183932818 402806552 /nfs/dbraw/zinc/80/65/52/402806552.db2.gz DGSSQAUWWVLUGM-STQMWFEESA-N 1 0 322.453 2.426 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)c2ncc(C)s2)C1 ZINC000175435940 402806766 /nfs/dbraw/zinc/80/67/66/402806766.db2.gz IFHMRJURPRAHKO-LBPRGKRZSA-N 1 0 310.467 2.470 10 0 DEAERO C[C@H](CCNC(=O)N[C@@H]1CCCOC1)[N@H+](C)Cc1ccccc1 ZINC000175476051 402809568 /nfs/dbraw/zinc/80/95/68/402809568.db2.gz YZIJABPVQRNFTE-NVXWUHKLSA-N 1 0 319.449 2.375 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(COC(C)(C)C)on1 ZINC000184007736 402811566 /nfs/dbraw/zinc/81/15/66/402811566.db2.gz MYNDLJQNOVAIJK-LBPRGKRZSA-N 1 0 311.426 2.450 10 0 DEAERO C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000175522918 402814267 /nfs/dbraw/zinc/81/42/67/402814267.db2.gz WWTRWKZQFADBAA-OAHLLOKOSA-N 1 0 311.470 2.367 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000194746941 402814397 /nfs/dbraw/zinc/81/43/97/402814397.db2.gz BMURQYZGWZOIEM-RDJZCZTQSA-N 1 0 318.417 2.068 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1cccc2c1OCO2 ZINC000184097195 402817866 /nfs/dbraw/zinc/81/78/66/402817866.db2.gz ISACGHKGZQOLSP-OAHLLOKOSA-N 1 0 320.433 2.440 10 0 DEAERO O=C(Nc1cccc2c1OCC[C@H]2O)C1CC[NH+](C2CC2)CC1 ZINC000194865389 402819818 /nfs/dbraw/zinc/81/98/18/402819818.db2.gz FYGOQJUDEBROOG-MRXNPFEDSA-N 1 0 316.401 2.315 10 0 DEAERO COc1cc(C[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)ccc1O ZINC000194977511 402825182 /nfs/dbraw/zinc/82/51/82/402825182.db2.gz PMACAMRFDGCBQN-ZDUSSCGKSA-N 1 0 316.405 2.220 10 0 DEAERO C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](CCO)CC2)CC(C)(C)C1 ZINC000184233652 402828868 /nfs/dbraw/zinc/82/88/68/402828868.db2.gz VIWINJXNVRZKLS-GOEBONIOSA-N 1 0 310.482 2.269 10 0 DEAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(C)s2)CC1 ZINC000175782832 402832364 /nfs/dbraw/zinc/83/23/64/402832364.db2.gz BPYHGNIDGVCTRJ-ZDUSSCGKSA-N 1 0 324.494 2.452 10 0 DEAERO C[C@H](NC(=O)c1ccc(-c2ncon2)cc1)C(C)(C)C[NH+](C)C ZINC000175799600 402834130 /nfs/dbraw/zinc/83/41/30/402834130.db2.gz BYMFKYHWLDYILK-LBPRGKRZSA-N 1 0 316.405 2.443 10 0 DEAERO CCC[C@@H](CC)NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000195394377 402844254 /nfs/dbraw/zinc/84/42/54/402844254.db2.gz PWBNPGAFHZHLHW-HUUCEWRRSA-N 1 0 311.470 2.460 10 0 DEAERO C[NH+](C)CCC1CCN(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000195196038 402835891 /nfs/dbraw/zinc/83/58/91/402835891.db2.gz OKLIXPNIUUZCOQ-INIZCTEOSA-N 1 0 317.433 2.493 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CC[C@@H]1CCOC1 ZINC000175834678 402836924 /nfs/dbraw/zinc/83/69/24/402836924.db2.gz CCHKUCRVYZONLZ-SJORKVTESA-N 1 0 304.434 2.092 10 0 DEAERO COc1ccc2c(CC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)coc2c1 ZINC000195310852 402841400 /nfs/dbraw/zinc/84/14/00/402841400.db2.gz BVZYAAVYKDFYMH-CQSZACIVSA-N 1 0 314.385 2.291 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(O)c(F)c2)CC[N@@H+]1C ZINC000175191574 402786530 /nfs/dbraw/zinc/78/65/30/402786530.db2.gz YSWATNWQTYDCEG-YPMHNXCESA-N 1 0 309.385 2.155 10 0 DEAERO CCc1csc([C@@H]2CCC[N@H+](C[C@H](O)Cn3cccn3)C2)n1 ZINC000195443014 402846084 /nfs/dbraw/zinc/84/60/84/402846084.db2.gz GQBLHPZODRFTRL-HIFRSBDPSA-N 1 0 320.462 2.143 10 0 DEAERO Cc1nn(C)c(C)c1CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000195473947 402846948 /nfs/dbraw/zinc/84/69/48/402846948.db2.gz RIDNPNNUVORCSN-UHFFFAOYSA-N 1 0 314.433 2.071 10 0 DEAERO CCOC(=O)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000195492394 402847608 /nfs/dbraw/zinc/84/76/08/402847608.db2.gz IZNIDMJCFVQDAK-MRXNPFEDSA-N 1 0 318.417 2.111 10 0 DEAERO Cn1nccc1C1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000195502049 402847642 /nfs/dbraw/zinc/84/76/42/402847642.db2.gz UXMJCQVUNQBBSF-MRXNPFEDSA-N 1 0 315.417 2.039 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)NCC3CC[NH+](C)CC3)nc21 ZINC000176013158 402847849 /nfs/dbraw/zinc/84/78/49/402847849.db2.gz GGZQDMOSBDMDFT-UHFFFAOYSA-N 1 0 314.433 2.262 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(COC(C)(C)C)on1 ZINC000184524837 402848782 /nfs/dbraw/zinc/84/87/82/402848782.db2.gz DQJDCMCXOONIDF-CHWSQXEVSA-N 1 0 321.421 2.298 10 0 DEAERO C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC[N@@H+]1C ZINC000279305082 402928930 /nfs/dbraw/zinc/92/89/30/402928930.db2.gz ZZGKALFBJLWSLP-AAEUAGOBSA-N 1 0 301.390 2.240 10 0 DEAERO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)NCc1ccccc1 ZINC000281310472 403063374 /nfs/dbraw/zinc/06/33/74/403063374.db2.gz HZQSIGBWJQPRFL-RCCFBDPRSA-N 1 0 316.445 2.318 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000277544889 403229213 /nfs/dbraw/zinc/22/92/13/403229213.db2.gz SHOGXOXSWKBXRO-HUBLWGQQSA-N 1 0 304.390 2.231 10 0 DEAERO CC(=O)N(C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000276598374 403190158 /nfs/dbraw/zinc/19/01/58/403190158.db2.gz VHMPSIYCEBJHRS-OALUTQOASA-N 1 0 316.445 2.065 10 0 DEAERO COc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(C)n1 ZINC000178042486 286329354 /nfs/dbraw/zinc/32/93/54/286329354.db2.gz VKCQSHQYSZLYIY-CQSZACIVSA-N 1 0 318.421 2.491 10 0 DEAERO CC[N@@H+]1CC[C@@H]2OCCN(CCc3ccc(F)c(F)c3)[C@H]2C1 ZINC000339385523 403379373 /nfs/dbraw/zinc/37/93/73/403379373.db2.gz QLCLKJMTTJHKAC-IRXDYDNUSA-N 1 0 310.388 2.302 10 0 DEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cscc1Br ZINC000285852537 403395047 /nfs/dbraw/zinc/39/50/47/403395047.db2.gz IDMFDVNPMSCVSD-OIBJUYFYSA-N 1 0 303.225 2.267 10 0 DEAERO C[N@H+](CCO)C1(CNc2ccc3nccnc3n2)CCCCC1 ZINC000301301154 403613411 /nfs/dbraw/zinc/61/34/11/403613411.db2.gz VATOHPCJEMLNFY-UHFFFAOYSA-N 1 0 315.421 2.064 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC[C@@H](C)O)cc1Cn1cccn1 ZINC000119068360 286355141 /nfs/dbraw/zinc/35/51/41/286355141.db2.gz OQKPEAIXBYYUSE-ZIAGYGMSSA-N 1 0 303.406 2.362 10 0 DEAERO CNC(=O)c1cccnc1NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000301395050 403624056 /nfs/dbraw/zinc/62/40/56/403624056.db2.gz LDACLBLYFGVUSD-CQSZACIVSA-N 1 0 312.417 2.374 10 0 DEAERO CC(C)Cn1cc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000333111450 403668404 /nfs/dbraw/zinc/66/84/04/403668404.db2.gz GNQPYEJMVFYIDY-UHFFFAOYSA-N 1 0 305.426 2.147 10 0 DEAERO Cc1nn(C)c2sc([C@H](C)[NH2+][C@H]3CCC(=O)N(C)C3)cc12 ZINC000287876360 403684473 /nfs/dbraw/zinc/68/44/73/403684473.db2.gz YENXQPBUMPRYDX-QWRGUYRKSA-N 1 0 306.435 2.215 10 0 DEAERO Cc1nn2c(CN[C@H]3CC[NH2+]C[C@H]3C)c(C(C)C)nc2s1 ZINC000333176203 403686282 /nfs/dbraw/zinc/68/62/82/403686282.db2.gz QYRSYXLXABYZCU-PWSUYJOCSA-N 1 0 307.467 2.310 10 0 DEAERO COc1ccc(C)nc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333212244 403695785 /nfs/dbraw/zinc/69/57/85/403695785.db2.gz ZVQXZFOQPWWWSM-MRXNPFEDSA-N 1 0 304.394 2.006 10 0 DEAERO c1ccc(-c2nnc(N3CCC[C@]4(CC[NH2+]C4)C3)s2)nc1 ZINC000333484876 403764109 /nfs/dbraw/zinc/76/41/09/403764109.db2.gz GAUIPHOXNKCZHW-OAHLLOKOSA-N 1 0 301.419 2.180 10 0 DEAERO O=C(NCC1(CO)CC2(CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000333345406 403730113 /nfs/dbraw/zinc/73/01/13/403730113.db2.gz UOCHWSVJPWMCLF-INIZCTEOSA-N 1 0 320.477 2.452 10 0 DEAERO Cc1cnc(C2CCN(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)s1 ZINC000333678331 403811766 /nfs/dbraw/zinc/81/17/66/403811766.db2.gz OJULAPVCVMDAAI-FZMZJTMJSA-N 1 0 322.478 2.339 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000333634285 403798525 /nfs/dbraw/zinc/79/85/25/403798525.db2.gz HDAZLNSJTPSPRB-SNPRPXQTSA-N 1 0 302.422 2.172 10 0 DEAERO CC(C)c1noc(-c2ccnc(N3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)n1 ZINC000333874325 403894866 /nfs/dbraw/zinc/89/48/66/403894866.db2.gz CHDHSJSGICXGRJ-KGLIPLIRSA-N 1 0 313.405 2.443 10 0 DEAERO CC1(C)C[C@@H](CNC(=O)N2CCC([NH2+]CC3CC3)CC2)CCO1 ZINC000333733288 403837366 /nfs/dbraw/zinc/83/73/66/403837366.db2.gz IATSQMISRUXIEV-HNNXBMFYSA-N 1 0 323.481 2.365 10 0 DEAERO Cc1ccc2ncnc(N[C@@H](CO)C[NH+]3CCCCC3)c2c1 ZINC000289185977 403866190 /nfs/dbraw/zinc/86/61/90/403866190.db2.gz SLNUFZUBEGBENU-CQSZACIVSA-N 1 0 300.406 2.197 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000333828774 403875546 /nfs/dbraw/zinc/87/55/46/403875546.db2.gz MDPRYKXOYRINFK-XJKSGUPXSA-N 1 0 321.396 2.051 10 0 DEAERO CCC(CC)[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000333863792 403890739 /nfs/dbraw/zinc/89/07/39/403890739.db2.gz ZYXZQBKGHHYSPI-XHSDSOJGSA-N 1 0 311.470 2.412 10 0 DEAERO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000362530030 403961864 /nfs/dbraw/zinc/96/18/64/403961864.db2.gz VBUMEELFZPLUDU-ZTFGCOKTSA-N 1 0 323.433 2.036 10 0 DEAERO CN(C)S(=O)(=O)CCNCc1cc(Cl)sc1Cl ZINC000312563903 403973405 /nfs/dbraw/zinc/97/34/05/403973405.db2.gz SNPWTJKTVFIFIU-UHFFFAOYSA-N 1 0 317.263 2.036 10 0 DEAERO CC(=O)CCC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000337515009 404071222 /nfs/dbraw/zinc/07/12/22/404071222.db2.gz HXNFEJZQKMFPDP-UHFFFAOYSA-N 1 0 318.417 2.493 10 0 DEAERO CN(C(=O)CN1C[C@@]2(CCOC2)OC(C)(C)C1)C1CCCCC1 ZINC000369558734 404142926 /nfs/dbraw/zinc/14/29/26/404142926.db2.gz ZHJRKIOMLROIRA-GOSISDBHSA-N 1 0 324.465 2.047 10 0 DEAERO COC(=O)[C@H]1CCC[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000363303428 404145887 /nfs/dbraw/zinc/14/58/87/404145887.db2.gz YYIDONUIDUFCIJ-MGLUKCQKSA-N 1 0 322.449 2.097 10 0 DEAERO CC(C)n1cc([C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2CO)cn1 ZINC000329045195 404211669 /nfs/dbraw/zinc/21/16/69/404211669.db2.gz POYZOARNHKTUCM-KSZLIROESA-N 1 0 321.465 2.431 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329295714 404292484 /nfs/dbraw/zinc/29/24/84/404292484.db2.gz SOBCQKFBMRPOOA-LSDHHAIUSA-N 1 0 309.454 2.323 10 0 DEAERO C[C@H]1OCC[C@]12C[N@H+](CCOc1ccc(F)cc1)C[C@@H](C)O2 ZINC000363952479 404266276 /nfs/dbraw/zinc/26/62/76/404266276.db2.gz IRVFPGPNZJNWFD-CPUCHLNUSA-N 1 0 309.381 2.473 10 0 DEAERO Cc1noc2nc(C)cc(C(=O)N(C)[C@H]3C[NH+]4CCC3CC4)c12 ZINC000329373481 404317932 /nfs/dbraw/zinc/31/79/32/404317932.db2.gz NAMAXFMXQOPUTG-AWEZNQCLSA-N 1 0 314.389 2.006 10 0 DEAERO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCCCO ZINC000364513874 404429462 /nfs/dbraw/zinc/42/94/62/404429462.db2.gz QJZJRQPWVWCOAZ-SFHVURJKSA-N 1 0 305.418 2.399 10 0 DEAERO CC/C=C\CC[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000342205083 404441054 /nfs/dbraw/zinc/44/10/54/404441054.db2.gz PQSIFQHVVMMBOI-WAYWQWQTSA-N 1 0 314.437 2.150 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2CCCC[C@H]2C)CC(=O)N1C ZINC000330182269 404576044 /nfs/dbraw/zinc/57/60/44/404576044.db2.gz HEGRQISAUVGIDO-DQADVMEASA-N 1 0 318.465 2.477 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000373924476 404641209 /nfs/dbraw/zinc/64/12/09/404641209.db2.gz MEXJUXNQBRLSHC-ZFWWWQNUSA-N 1 0 319.453 2.492 10 0 DEAERO O[C@@H](C[N@@H+]1CCCN(c2ncccc2F)CC1)CC(F)(F)F ZINC000365294318 404603359 /nfs/dbraw/zinc/60/33/59/404603359.db2.gz WENVBGMRDAUXDE-LLVKDONJSA-N 1 0 321.318 2.046 10 0 DEAERO C[C@H](C[NH+](C)C)NC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000358503348 404765316 /nfs/dbraw/zinc/76/53/16/404765316.db2.gz QCUJCHFOADZMGD-CQSZACIVSA-N 1 0 317.433 2.215 10 0 DEAERO Nc1c(Cl)cc(C(=O)N2CC[NH+]3CCC2CC3)cc1Cl ZINC000366182996 404768708 /nfs/dbraw/zinc/76/87/08/404768708.db2.gz LXFWJHYNCLSLDG-UHFFFAOYSA-N 1 0 314.216 2.496 10 0 DEAERO OCC[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000366444579 404792319 /nfs/dbraw/zinc/79/23/19/404792319.db2.gz RVLITGUENMARMJ-CRAIPNDOSA-N 1 0 317.360 2.159 10 0 DEAERO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cccc(F)c2)CC12COC2 ZINC000451140292 404877353 /nfs/dbraw/zinc/87/73/53/404877353.db2.gz TYTWANYZECUOLW-DOMZBBRYSA-N 1 0 307.365 2.398 10 0 DEAERO CC(C)Cn1ncc(NC(=O)NC[C@@H]([NH3+])C2CC2)c1C(F)F ZINC000415359157 404853730 /nfs/dbraw/zinc/85/37/30/404853730.db2.gz JSFHJOYCPRCTRO-SNVBAGLBSA-N 1 0 315.368 2.336 10 0 DEAERO O=C(COc1ccccc1)N1CC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000367179212 404957318 /nfs/dbraw/zinc/95/73/18/404957318.db2.gz NIMNYCZRIIEGCQ-IDCNUPLLSA-N 1 0 314.429 2.445 10 0 DEAERO COc1cc(CN2CCNC(=O)C[C@@H]2c2ccccc2)ccn1 ZINC000378269903 404912247 /nfs/dbraw/zinc/91/22/47/404912247.db2.gz HJPVZFOKINATTJ-MRXNPFEDSA-N 1 0 311.385 2.153 10 0 DEAERO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ncccc1N ZINC000382721645 405031809 /nfs/dbraw/zinc/03/18/09/405031809.db2.gz NIJTWJZBGSZTLX-MRXNPFEDSA-N 1 0 324.428 2.258 10 0 DEAERO C[C@H]1CCN(C(=O)c2ncccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000382750555 405032134 /nfs/dbraw/zinc/03/21/34/405032134.db2.gz ZQVYHYAPBOYENM-HNNXBMFYSA-N 1 0 324.428 2.400 10 0 DEAERO C[C@H](NC(=O)c1ncccc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383686771 405032329 /nfs/dbraw/zinc/03/23/29/405032329.db2.gz PVHFYMVCOWGAFJ-HOCLYGCPSA-N 1 0 324.428 2.304 10 0 DEAERO CC1CC[NH+](CC(=O)NCC[C@@H]2COc3ccccc3O2)CC1 ZINC000568344302 292332319 /nfs/dbraw/zinc/33/23/19/292332319.db2.gz ZFFQSRGJSJVMFJ-OAHLLOKOSA-N 1 0 318.417 2.065 10 0 DEAERO COc1ccc(Br)c(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367575402 405089640 /nfs/dbraw/zinc/08/96/40/405089640.db2.gz MNYYNROGWILEQM-XYYAHUGASA-N 1 0 312.207 2.440 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000152437847 292334079 /nfs/dbraw/zinc/33/40/79/292334079.db2.gz LWGHWKUKHUZVTP-HNNXBMFYSA-N 1 0 320.433 2.027 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000408147884 405123704 /nfs/dbraw/zinc/12/37/04/405123704.db2.gz IWGGKFPIMULULQ-STQMWFEESA-N 1 0 318.421 2.226 10 0 DEAERO Cn1nnc2cc(C[N@@H+]3CC[C@H](C(C)(C)C)[C@@H](O)C3)ccc21 ZINC000408198538 405136761 /nfs/dbraw/zinc/13/67/61/405136761.db2.gz NHMZWAPSHPLXHM-BBRMVZONSA-N 1 0 302.422 2.197 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2ncoc2[C@@H]2CCCO2)CC1 ZINC000408276230 405159748 /nfs/dbraw/zinc/15/97/48/405159748.db2.gz HJNYVQJNWFUFDQ-OLZOCXBDSA-N 1 0 307.394 2.082 10 0 DEAERO C[C@H]1C[C@H]([NH2+][C@H]2CCCN(c3ncc[nH]c3=O)C2)C[C@@H](C)C1 ZINC000408394932 405196090 /nfs/dbraw/zinc/19/60/90/405196090.db2.gz LCJWCIMVQOMCRH-LJISPDSOSA-N 1 0 304.438 2.153 10 0 DEAERO C[C@H](CCc1cccc(F)c1)C(=O)NCCNc1cc[nH+]cc1 ZINC000439042370 405263827 /nfs/dbraw/zinc/26/38/27/405263827.db2.gz UDBPMQPTTZOOEJ-CQSZACIVSA-N 1 0 315.392 2.440 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)OCC)n(C)c1 ZINC000440576665 405318132 /nfs/dbraw/zinc/31/81/32/405318132.db2.gz NNVNANXZNURALA-ZDUSSCGKSA-N 1 0 307.394 2.015 10 0 DEAERO CC(C)[C@@H]([NH3+])CNc1ccc(I)cn1 ZINC000420194017 405293941 /nfs/dbraw/zinc/29/39/41/405293941.db2.gz URLKGSQAIDWOOU-VIFPVBQESA-N 1 0 305.163 2.081 10 0 DEAERO CCc1noc(C)c1CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000454620508 405372997 /nfs/dbraw/zinc/37/29/97/405372997.db2.gz OSZLSOQFUHFUQF-GFCCVEGCSA-N 1 0 308.426 2.219 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)Nc1ccccc1OCCF ZINC000455724529 405446608 /nfs/dbraw/zinc/44/66/08/405446608.db2.gz PEDKKGBMTRDPJN-UHFFFAOYSA-N 1 0 318.352 2.085 10 0 DEAERO Cc1nn(C)cc1CC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000448825331 405452843 /nfs/dbraw/zinc/45/28/43/405452843.db2.gz VOJFQLFPKAYQBL-JKIFEVAISA-N 1 0 318.465 2.135 10 0 DEAERO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cn(C)nc1C ZINC000448843183 405454993 /nfs/dbraw/zinc/45/49/93/405454993.db2.gz HMRFTTVXZMUADB-MRXNPFEDSA-N 1 0 306.454 2.042 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000638448457 405475234 /nfs/dbraw/zinc/47/52/34/405475234.db2.gz ROWLFMMGESXDGU-JFIYKMOQSA-N 1 0 315.461 2.107 10 0 DEAERO c1c2cccnc2oc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000449033181 405508031 /nfs/dbraw/zinc/50/80/31/405508031.db2.gz CMQVNCIOMXBRAP-UHFFFAOYSA-N 1 0 315.417 2.372 10 0 DEAERO Cc1[nH+]c2c(n1[C@H]1CCN(c3ncnc4n[nH]cc43)C1)CCCC2 ZINC000431390751 405616586 /nfs/dbraw/zinc/61/65/86/405616586.db2.gz LBSHDVFKESAVNH-LBPRGKRZSA-N 1 0 323.404 2.188 10 0 DEAERO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000449581772 405625530 /nfs/dbraw/zinc/62/55/30/405625530.db2.gz BVXWXMOKSWNNLG-OLZOCXBDSA-N 1 0 303.362 2.491 10 0 DEAERO CCc1noc(C)c1CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000458810918 405603060 /nfs/dbraw/zinc/60/30/60/405603060.db2.gz AUNNYNGTUKSFOD-ZDUSSCGKSA-N 1 0 308.426 2.170 10 0 DEAERO OC1CCN(CC[NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000449643627 405654619 /nfs/dbraw/zinc/65/46/19/405654619.db2.gz BHSJOWCFTYCOLG-UHFFFAOYSA-N 1 0 317.458 2.356 10 0 DEAERO CSCC1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000458934108 405661947 /nfs/dbraw/zinc/66/19/47/405661947.db2.gz RRHBXMAYQNNMSN-UHFFFAOYSA-N 1 0 322.478 2.136 10 0 DEAERO c1cnn(C2CC([NH2+]CCc3nnc(-c4ccccc4)o3)C2)c1 ZINC000638785008 405667961 /nfs/dbraw/zinc/66/79/61/405667961.db2.gz LDFXZOXCRLYIHZ-UHFFFAOYSA-N 1 0 309.373 2.469 10 0 DEAERO [NH3+][C@H]1CCCCCN(C(=O)c2nscc2Br)C1 ZINC000638814725 405688948 /nfs/dbraw/zinc/68/89/48/405688948.db2.gz BEDPCKYYDPSKQE-QMMMGPOBSA-N 1 0 318.240 2.249 10 0 DEAERO c1ccc(N2CC[C@H](C[NH2+][C@H]3CCO[C@]4(CCOC4)C3)C2)cc1 ZINC000638834034 405702835 /nfs/dbraw/zinc/70/28/35/405702835.db2.gz CKDPCRYYSBYNSX-ZIFCJYIRSA-N 1 0 316.445 2.441 10 0 DEAERO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2C2CC2)cc1 ZINC000568742321 292363578 /nfs/dbraw/zinc/36/35/78/292363578.db2.gz NQRXACIYUQVLBM-YTQUADARSA-N 1 0 317.429 2.336 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1C ZINC000636092233 405732652 /nfs/dbraw/zinc/73/26/52/405732652.db2.gz REZZOLAAPFSUMN-OKILXGFUSA-N 1 0 303.406 2.191 10 0 DEAERO OC[C@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)Cc1ccco1 ZINC000559477838 405740571 /nfs/dbraw/zinc/74/05/71/405740571.db2.gz GOEIHCPOROUWNI-LBPRGKRZSA-N 1 0 301.346 2.204 10 0 DEAERO C[C@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000638887231 405741881 /nfs/dbraw/zinc/74/18/81/405741881.db2.gz KHSDHSDCMDCKBN-UWVGGRQHSA-N 1 0 317.216 2.425 10 0 DEAERO Cc1cc(Br)ccc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638893547 405745054 /nfs/dbraw/zinc/74/50/54/405745054.db2.gz ZKLUXQLJAPKBDT-QWRGUYRKSA-N 1 0 311.223 2.424 10 0 DEAERO Cc1cc(Br)cc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000638898603 405749071 /nfs/dbraw/zinc/74/90/71/405749071.db2.gz LPEATISMDKNFNH-CMPLNLGQSA-N 1 0 311.223 2.424 10 0 DEAERO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(Cl)c(Cl)[nH]2)[N@H+](C)C1 ZINC000583621101 405777675 /nfs/dbraw/zinc/77/76/75/405777675.db2.gz HFPMWKYOIBXEQO-IUCAKERBSA-N 1 0 320.220 2.113 10 0 DEAERO C[NH+](C)CC(C)(C)NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000457241191 405764838 /nfs/dbraw/zinc/76/48/38/405764838.db2.gz OVCBRPQJXGQSIQ-UHFFFAOYSA-N 1 0 315.417 2.329 10 0 DEAERO COc1ccc2cc(C[N@@H+]3CC[C@](O)(c4cn[nH]n4)C3)ccc2c1 ZINC000583617437 405773877 /nfs/dbraw/zinc/77/38/77/405773877.db2.gz NRKHQRUJCDDCEY-GOSISDBHSA-N 1 0 324.384 2.060 10 0 DEAERO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2cncn2C)cc1 ZINC000583615577 405774116 /nfs/dbraw/zinc/77/41/16/405774116.db2.gz MGQURCSLMMMTBD-QZTJIDSGSA-N 1 0 315.417 2.301 10 0 DEAERO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2cncn2C)cc1 ZINC000583615579 405775147 /nfs/dbraw/zinc/77/51/47/405775147.db2.gz MGQURCSLMMMTBD-ZWKOTPCHSA-N 1 0 315.417 2.301 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000457430747 405840179 /nfs/dbraw/zinc/84/01/79/405840179.db2.gz BGQSXRICBFOWBX-AWEZNQCLSA-N 1 0 318.417 2.386 10 0 DEAERO c1cc(C[NH2+]CCC[C@@H]2CCO2)c(OC[C@H]2CCOC2)cn1 ZINC000639184141 405953275 /nfs/dbraw/zinc/95/32/75/405953275.db2.gz ISGLWNYOMRRBDT-GOEBONIOSA-N 1 0 306.406 2.156 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000457590295 405910225 /nfs/dbraw/zinc/91/02/25/405910225.db2.gz FFRVYNLOPLTGMR-BBRMVZONSA-N 1 0 318.417 2.194 10 0 DEAERO c1ccc(N2CC[C@@H](C[N@@H+]3CCOC[C@]34CCOC4)C2)cc1 ZINC000639136169 405915249 /nfs/dbraw/zinc/91/52/49/405915249.db2.gz JYKAEDVECPBVHO-SJLPKXTDSA-N 1 0 302.418 2.004 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000457614635 405920434 /nfs/dbraw/zinc/92/04/34/405920434.db2.gz XCATWQJBHPGPSK-ZDUSSCGKSA-N 1 0 320.433 2.488 10 0 DEAERO O[C@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)Cn1ccnn1 ZINC000459700922 406010392 /nfs/dbraw/zinc/01/03/92/406010392.db2.gz DRVQCUVGKCOWFS-MOPGFXCFSA-N 1 0 322.412 2.213 10 0 DEAERO c1nc(C[NH2+]C[C@@H]2CC23CCSCC3)cc2c1OCCO2 ZINC000639274013 406014274 /nfs/dbraw/zinc/01/42/74/406014274.db2.gz ULOBJZZDKJCXQH-LBPRGKRZSA-N 1 0 306.431 2.476 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)NCc1ccc2c(n1)CCCC2 ZINC000562488527 406017843 /nfs/dbraw/zinc/01/78/43/406017843.db2.gz DBMWCFIWFMFUOF-UHFFFAOYSA-N 1 0 304.438 2.054 10 0 DEAERO c1cnc(N[C@@H]2CC[N@@H+](Cc3ccc4nccnc4c3)C2)nc1 ZINC000639280830 406019862 /nfs/dbraw/zinc/01/98/62/406019862.db2.gz FUASAWHTGNLAPF-CQSZACIVSA-N 1 0 306.373 2.106 10 0 DEAERO c1cc(C[NH+]2CCC(Cn3cnnc3)CC2)n(CC2CCC2)n1 ZINC000639293205 406026335 /nfs/dbraw/zinc/02/63/35/406026335.db2.gz UFOFBMICKQEMCC-UHFFFAOYSA-N 1 0 314.437 2.187 10 0 DEAERO CC(C)(C)OC(=O)C[C@@H]1CCCN(CC(=O)NC2CCCC2)C1 ZINC000531613859 405985149 /nfs/dbraw/zinc/98/51/49/405985149.db2.gz FHUQJICCILEAPV-AWEZNQCLSA-N 1 0 324.465 2.489 10 0 DEAERO COc1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)on1 ZINC000639325401 406045518 /nfs/dbraw/zinc/04/55/18/406045518.db2.gz XEMHRQDVHPCNMK-HNNXBMFYSA-N 1 0 301.390 2.437 10 0 DEAERO C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1nc(CC2CC2)no1 ZINC000639613991 406169463 /nfs/dbraw/zinc/16/94/63/406169463.db2.gz WJBRKQFPOZEEKA-APHBMKBZSA-N 1 0 303.406 2.459 10 0 DEAERO c1nc2n(n1)[C@@H](C[N@H+]1CC=C(c3c[nH]c4ncccc34)CC1)CC2 ZINC000639521561 406127323 /nfs/dbraw/zinc/12/73/23/406127323.db2.gz FOUOVWRBJLBJRR-CQSZACIVSA-N 1 0 320.400 2.431 10 0 DEAERO O=C1[C@H]([NH2+]Cc2ccc3[nH]cnc3c2)CCN1c1ccccc1 ZINC000518302355 406134091 /nfs/dbraw/zinc/13/40/91/406134091.db2.gz AEPSGCQSIPSEME-MRXNPFEDSA-N 1 0 306.369 2.458 10 0 DEAERO CO[C@H]1CC[C@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000472339895 406138697 /nfs/dbraw/zinc/13/86/97/406138697.db2.gz MNJJYAODFPRELQ-GJZGRUSLSA-N 1 0 321.421 2.316 10 0 DEAERO CO[C@@H]1CC[C@@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000472339897 406138916 /nfs/dbraw/zinc/13/89/16/406138916.db2.gz MNJJYAODFPRELQ-HUUCEWRRSA-N 1 0 321.421 2.316 10 0 DEAERO c1cc(-c2noc(COc3ccc4c(c3)OCC[NH2+]C4)n2)co1 ZINC000518517586 406142371 /nfs/dbraw/zinc/14/23/71/406142371.db2.gz CQVOQTJJKFYJHM-UHFFFAOYSA-N 1 0 313.313 2.391 10 0 DEAERO c1cn(CCCC2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)cn1 ZINC000639582562 406154647 /nfs/dbraw/zinc/15/46/47/406154647.db2.gz HWUAWQWSRWBHFM-INIZCTEOSA-N 1 0 314.437 2.154 10 0 DEAERO c1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c2c(c1)COCC2 ZINC000639641905 406185129 /nfs/dbraw/zinc/18/51/29/406185129.db2.gz MXALHJXHAROJDB-GOSISDBHSA-N 1 0 303.402 2.141 10 0 DEAERO c1cncc(CN2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000519411756 406197251 /nfs/dbraw/zinc/19/72/51/406197251.db2.gz SNOKOOKETALPKL-UHFFFAOYSA-N 1 0 322.456 2.045 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1CCCc2ccccc21 ZINC000535259931 406217001 /nfs/dbraw/zinc/21/70/01/406217001.db2.gz GAPZRVRZZRYBHR-INIZCTEOSA-N 1 0 324.428 2.335 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000487322192 406223994 /nfs/dbraw/zinc/22/39/94/406223994.db2.gz PWVCPHWMUZFHCY-XWIASGKRSA-N 1 0 314.227 2.230 10 0 DEAERO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(C2CCCCC2)n[nH]1 ZINC000536157425 406252421 /nfs/dbraw/zinc/25/24/21/406252421.db2.gz JDHDKAFKLGCWEV-ZDUSSCGKSA-N 1 0 302.422 2.424 10 0 DEAERO O=C(c1ccc(Br)o1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632854498 406292815 /nfs/dbraw/zinc/29/28/15/406292815.db2.gz HHCTWFAXHHMFOS-VHSXEESVSA-N 1 0 313.195 2.256 10 0 DEAERO O=C(c1ccc(Br)o1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632854497 406292897 /nfs/dbraw/zinc/29/28/97/406292897.db2.gz HHCTWFAXHHMFOS-UWVGGRQHSA-N 1 0 313.195 2.256 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCC(OC(C)C)CC2)CC1 ZINC000545859262 406329796 /nfs/dbraw/zinc/32/97/96/406329796.db2.gz PXAYIMNYFGALIM-UHFFFAOYSA-N 1 0 309.454 2.237 10 0 DEAERO C[C@H](NC(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C)c1ccc(Cl)cc1 ZINC000488738046 406342959 /nfs/dbraw/zinc/34/29/59/406342959.db2.gz YQYULPOUIDSIGF-OUCADQQQSA-N 1 0 310.825 2.220 10 0 DEAERO Brc1cccc2c1C[C@@H]1[C@@H](NCC34CC(C3)C[NH2+]4)[C@H]21 ZINC000634997759 406391517 /nfs/dbraw/zinc/39/15/17/406391517.db2.gz RVAZBGRXCTYAFO-FNWWSYFTSA-N 1 0 319.246 2.429 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H]2CCOC3(CCC3)C2)CC1 ZINC000547271892 406394113 /nfs/dbraw/zinc/39/41/13/406394113.db2.gz BNGGEDNGXARMNJ-HNNXBMFYSA-N 1 0 307.438 2.039 10 0 DEAERO Cc1ccccc1[C@@H]1CC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000523126030 406418425 /nfs/dbraw/zinc/41/84/25/406418425.db2.gz WOMGPMLJVTUTEM-SQNIBIBYSA-N 1 0 319.445 2.341 10 0 DEAERO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489600646 406421048 /nfs/dbraw/zinc/42/10/48/406421048.db2.gz FKXBLJRSDATAGV-LBPRGKRZSA-N 1 0 316.405 2.000 10 0 DEAERO c1nc(CN2CCC(C[NH+]3CCCC3)CC2)cc2c1OCCO2 ZINC000637905268 406471455 /nfs/dbraw/zinc/47/14/55/406471455.db2.gz JSKITYXVGSGECL-UHFFFAOYSA-N 1 0 317.433 2.161 10 0 DEAERO O=C(CCC1C[NH2+]C1)N1CCc2cc(Br)ccc21 ZINC000637907191 406471693 /nfs/dbraw/zinc/47/16/93/406471693.db2.gz IKSDZAHVMUVYRY-UHFFFAOYSA-N 1 0 309.207 2.338 10 0 DEAERO c1nnn(Cc2ccccc2)c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000490576903 406472362 /nfs/dbraw/zinc/47/23/62/406472362.db2.gz DSJJHOPPHZJKSI-IAGOWNOFSA-N 1 0 311.433 2.043 10 0 DEAERO COC(=O)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548063956 406476181 /nfs/dbraw/zinc/47/61/81/406476181.db2.gz RUSAQXCLMGUQMY-AWEZNQCLSA-N 1 0 310.438 2.053 10 0 DEAERO CN(Cc1cccc(Br)c1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637919197 406476730 /nfs/dbraw/zinc/47/67/30/406476730.db2.gz QSQXWROISSIFJF-CYBMUJFWSA-N 1 0 309.207 2.455 10 0 DEAERO COc1cc(NC(=O)CCC2C[NH2+]C2)ccc1Br ZINC000637925837 406481306 /nfs/dbraw/zinc/48/13/06/406481306.db2.gz MNOQBCBIKKFOQS-UHFFFAOYSA-N 1 0 313.195 2.396 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCCC(C)(C)C1 ZINC000637938705 406486938 /nfs/dbraw/zinc/48/69/38/406486938.db2.gz RQQLBLYXSLKFOI-MRXNPFEDSA-N 1 0 303.450 2.094 10 0 DEAERO CC(=O)N(C)c1ccccc1NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000570925447 406456513 /nfs/dbraw/zinc/45/65/13/406456513.db2.gz ZYIIZSIXCCOFPL-INIZCTEOSA-N 1 0 323.396 2.495 10 0 DEAERO C[C@@H](N(C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1(C)CC1 ZINC000638042284 406540000 /nfs/dbraw/zinc/54/00/00/406540000.db2.gz QFBXULHXCZBLAX-ZBFHGGJFSA-N 1 0 303.450 2.093 10 0 DEAERO C[C@H](CCC1CC1)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638308744 406689221 /nfs/dbraw/zinc/68/92/21/406689221.db2.gz XHIDMJGZBQSAMY-PBHICJAKSA-N 1 0 303.450 2.141 10 0 DEAERO Cc1cc(CCNC(=O)NCC2([NH+](C)C)CCCCC2)on1 ZINC000553339262 406752599 /nfs/dbraw/zinc/75/25/99/406752599.db2.gz CLLMCOAJVJLHIN-UHFFFAOYSA-N 1 0 308.426 2.089 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC(C)(C1CC1)C1CC1 ZINC000638423669 406765416 /nfs/dbraw/zinc/76/54/16/406765416.db2.gz CJTNTOOGYFOLKK-QGZVFWFLSA-N 1 0 315.461 2.141 10 0 DEAERO CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000164097877 286857958 /nfs/dbraw/zinc/85/79/58/286857958.db2.gz WSHBAQTXIOWXLH-PWSUYJOCSA-N 1 0 302.465 2.126 10 0 DEAERO C[C@@H]([NH3+])C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000132614183 286907599 /nfs/dbraw/zinc/90/75/99/286907599.db2.gz GAMXUHXJFSKTDR-HALIQOIHSA-N 1 0 306.435 2.292 10 0 DEAERO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccccc1-n1cccn1 ZINC000183164929 287035235 /nfs/dbraw/zinc/03/52/35/287035235.db2.gz SIACWIIYCNHBMW-UONOGXRCSA-N 1 0 321.446 2.204 10 0 DEAERO Cc1nsc(N)c1-c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000128892329 196001558 /nfs/dbraw/zinc/00/15/58/196001558.db2.gz LRHQKTMYKJEKIG-PBINXNQUSA-N 1 0 305.407 2.424 10 0 DEAERO CCOC(=O)[C@H](C)Oc1ccc(Br)c(CC[NH3+])c1 ZINC000129209360 196029194 /nfs/dbraw/zinc/02/91/94/196029194.db2.gz JPGHJFQRCANNAZ-VIFPVBQESA-N 1 0 316.195 2.281 10 0 DEAERO NC1=[NH+]C[C@@H]([C@H]2CCCO2)N1c1ccc(Br)cc1 ZINC000129272290 196034557 /nfs/dbraw/zinc/03/45/57/196034557.db2.gz FYSCCSQKSLGYOA-NWDGAFQWSA-N 1 0 310.195 2.131 10 0 DEAERO CC[NH2+][C@H](c1cnn(CC)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000129422121 196046768 /nfs/dbraw/zinc/04/67/68/196046768.db2.gz NEYSOYVKAIRCNY-HNNXBMFYSA-N 1 0 307.419 2.005 10 0 DEAERO C[NH2+]C[C@H](C)CNC(=O)c1cccc(F)c1Br ZINC000129433296 196047238 /nfs/dbraw/zinc/04/72/38/196047238.db2.gz XLBDUMIFGFSAPB-QMMMGPOBSA-N 1 0 303.175 2.174 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)[C@@H](N)c1cccs1)c1ccccc1 ZINC000130565239 196091609 /nfs/dbraw/zinc/09/16/09/196091609.db2.gz UJEZUSXTBUCONO-HIFRSBDPSA-N 1 0 303.431 2.167 10 0 DEAERO COc1ccccc1[C@@H](O)C[NH2+][C@H]1CCCc2c1cnn2C ZINC000130602407 196094427 /nfs/dbraw/zinc/09/44/27/196094427.db2.gz YZYREVJJBJGWAO-HOCLYGCPSA-N 1 0 301.390 2.129 10 0 DEAERO CC[NH2+]C[C@@H]1COCCN1Cc1cccc(Br)c1 ZINC000130829836 196114301 /nfs/dbraw/zinc/11/43/01/196114301.db2.gz KVFVHXBBWMCSOE-CQSZACIVSA-N 1 0 313.239 2.259 10 0 DEAERO CC[NH2+][C@H](Cc1ccn(C)n1)c1ccc(Br)cn1 ZINC000130897425 196120885 /nfs/dbraw/zinc/12/08/85/196120885.db2.gz YAUQKPNZLDRXJY-CYBMUJFWSA-N 1 0 309.211 2.471 10 0 DEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCC[C@@H](C)SC)c1 ZINC000130940902 196125113 /nfs/dbraw/zinc/12/51/13/196125113.db2.gz YOIZZYMGZMGCDB-NEPJUHHUSA-N 1 0 316.492 2.387 10 0 DEAERO Cc1c(C(F)(F)F)cccc1S(=O)(=O)NC(C)(C)C[NH3+] ZINC000131013203 196132120 /nfs/dbraw/zinc/13/21/20/196132120.db2.gz IWTURLPXCIENHZ-UHFFFAOYSA-N 1 0 310.341 2.029 10 0 DEAERO CCc1nsc(SCCC[C@@](C)([NH2+]C(C)C)C(N)=O)n1 ZINC000131049466 196136351 /nfs/dbraw/zinc/13/63/51/196136351.db2.gz ZSVFCAZUSVPOAZ-CYBMUJFWSA-N 1 0 316.496 2.215 10 0 DEAERO CCC[NH2+][C@@](CSc1ncns1)(C(N)=O)c1ccccc1 ZINC000131117653 196141687 /nfs/dbraw/zinc/14/16/87/196141687.db2.gz JWBOLZKZQFBMLS-CQSZACIVSA-N 1 0 322.459 2.011 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)c1cc(OC)ccc1OC ZINC000131186925 196147634 /nfs/dbraw/zinc/14/76/34/196147634.db2.gz ZFDMNZUFZDTAOM-AWEZNQCLSA-N 1 0 315.435 2.179 10 0 DEAERO C[NH2+]Cc1cccc(CS(=O)(=O)NCCCC(F)(F)F)c1 ZINC000131218938 196151674 /nfs/dbraw/zinc/15/16/74/196151674.db2.gz QXOWCYCCLDAGJT-UHFFFAOYSA-N 1 0 324.368 2.168 10 0 DEAERO COc1ccc2c(N)c(C(=O)N3CCC[C@H]([NH3+])C3)sc2c1 ZINC000131238987 196152144 /nfs/dbraw/zinc/15/21/44/196152144.db2.gz CBYDUUKAFLBSFD-VIFPVBQESA-N 1 0 305.403 2.055 10 0 DEAERO CSCC[C@@H](C)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000131235754 196152309 /nfs/dbraw/zinc/15/23/09/196152309.db2.gz AMNNYOQKENLDMR-GHMZBOCLSA-N 1 0 302.465 2.126 10 0 DEAERO Cc1ccc(S(=O)(=O)NCCCCC(F)(F)F)cc1C[NH3+] ZINC000131249068 196152976 /nfs/dbraw/zinc/15/29/76/196152976.db2.gz XRTKFBSMEUGLFL-UHFFFAOYSA-N 1 0 324.368 2.465 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)C[C@@H](C)c2ccccc2F)CC1 ZINC000131468136 196171954 /nfs/dbraw/zinc/17/19/54/196171954.db2.gz KMCZBGWFQBEBJK-HUUCEWRRSA-N 1 0 322.424 2.234 10 0 DEAERO CC[NH2+]CCS(=O)(=O)Nc1cccc(C)c1Br ZINC000131724739 196194132 /nfs/dbraw/zinc/19/41/32/196194132.db2.gz JNJMFGUYOALZQN-UHFFFAOYSA-N 1 0 321.240 2.109 10 0 DEAERO CCC[NH2+][C@@H](C)c1ccc(OCCS(C)(=O)=O)c(F)c1 ZINC000131872684 196206453 /nfs/dbraw/zinc/20/64/53/196206453.db2.gz XBLCFEDHNZIUBG-NSHDSACASA-N 1 0 303.399 2.310 10 0 DEAERO COCCN(CCOC)[C@@H](C[NH3+])c1cccc(C(F)F)c1 ZINC000131880931 196206661 /nfs/dbraw/zinc/20/66/61/196206661.db2.gz PYDMNCZSRPFUOR-AWEZNQCLSA-N 1 0 302.365 2.219 10 0 DEAERO C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000132508797 196261241 /nfs/dbraw/zinc/26/12/41/196261241.db2.gz XYQPTGZVWJBBNZ-CMPLNLGQSA-N 1 0 300.324 2.362 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)N2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000132803361 196284822 /nfs/dbraw/zinc/28/48/22/196284822.db2.gz MUHDRPMEIXNVEQ-GDBMZVCRSA-N 1 0 309.454 2.070 10 0 DEAERO CC(C)OCCC[NH2+]CCn1c(=O)cccc1C(F)(F)F ZINC000132820290 196287268 /nfs/dbraw/zinc/28/72/68/196287268.db2.gz URPRODQMYOCGMP-UHFFFAOYSA-N 1 0 306.328 2.272 10 0 DEAERO C[C@H]([NH2+]CCn1c(=O)cccc1C(F)(F)F)[C@H]1CCCO1 ZINC000132827150 196287752 /nfs/dbraw/zinc/28/77/52/196287752.db2.gz WDGGJKOBRVVWGR-WDEREUQCSA-N 1 0 304.312 2.024 10 0 DEAERO CCC[C@](C)(O)c1c(Br)cnn1CC[NH+](C)C ZINC000132857919 196291077 /nfs/dbraw/zinc/29/10/77/196291077.db2.gz LWJVQWGTOPHNFD-LBPRGKRZSA-N 1 0 304.232 2.215 10 0 DEAERO CC(C)n1ncc(Br)c1[C@]1(O)CCC[C@H]([NH3+])C1 ZINC000132882593 196292729 /nfs/dbraw/zinc/29/27/29/196292729.db2.gz YWJTYIPDOMBBII-CABZTGNLSA-N 1 0 302.216 2.315 10 0 DEAERO O[C@H](Cc1ccc(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000133088386 196311266 /nfs/dbraw/zinc/31/12/66/196311266.db2.gz NYCHRGAGALHFGW-GXFFZTMASA-N 1 0 302.187 2.491 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000133763816 196334751 /nfs/dbraw/zinc/33/47/51/196334751.db2.gz RLRCWSVAMJANMG-GDBMZVCRSA-N 1 0 323.481 2.460 10 0 DEAERO C[C@](C[NH3+])(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1 ZINC000133798191 196336329 /nfs/dbraw/zinc/33/63/29/196336329.db2.gz IJZNZEAPBIUFDD-CYBMUJFWSA-N 1 0 304.362 2.222 10 0 DEAERO CCCc1cc(C(=O)N2CCS[C@H](C)[C@@H]2C)cc(NN)[nH+]1 ZINC000133943321 196348007 /nfs/dbraw/zinc/34/80/07/196348007.db2.gz LFNKBEDTSBHOBG-WDEREUQCSA-N 1 0 308.451 2.286 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)CCC2 ZINC000133952222 196348296 /nfs/dbraw/zinc/34/82/96/196348296.db2.gz ARLAHZJULHCRIZ-HOCLYGCPSA-N 1 0 309.431 2.239 10 0 DEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(I)o1 ZINC000134534339 196399694 /nfs/dbraw/zinc/39/96/94/196399694.db2.gz HPLNSKADPNBFHD-IONNQARKSA-N 1 0 307.131 2.151 10 0 DEAERO CN(CCC(N)=[NH2+])c1ccnc2cc(Br)cnc21 ZINC000135517882 196482396 /nfs/dbraw/zinc/48/23/96/196482396.db2.gz DDTJQLARFYZUOF-UHFFFAOYSA-N 1 0 308.183 2.155 10 0 DEAERO CC[C@H]1CC[C@H](C)N1S(=O)(=O)Cc1cccc(C[NH2+]C)c1 ZINC000136769214 196552206 /nfs/dbraw/zinc/55/22/06/196552206.db2.gz WRHHJORCLQWJBB-BBRMVZONSA-N 1 0 310.463 2.499 10 0 DEAERO C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000246913187 287350503 /nfs/dbraw/zinc/35/05/03/287350503.db2.gz FXPMEHCCHPIJIM-RYRKJORJSA-N 1 0 323.481 2.055 10 0 DEAERO C[C@@H]1CN(Cc2cnc(C3CCCC3)s2)CCN1CCO ZINC000190238766 225078265 /nfs/dbraw/zinc/07/82/65/225078265.db2.gz LGAPIUZMSLWMOK-CYBMUJFWSA-N 1 0 309.479 2.299 10 0 DEAERO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000572083597 292593134 /nfs/dbraw/zinc/59/31/34/292593134.db2.gz OVXJCGITDKOZDR-UTUOFQBUSA-N 1 0 300.424 2.132 10 0 DEAERO C[C@H](c1ccc(F)cc1)[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000299752863 229395714 /nfs/dbraw/zinc/39/57/14/229395714.db2.gz VUJYHEAMPUMBJI-PXAZEXFGSA-N 1 0 320.408 2.238 10 0 DEAERO C[NH+](C)[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)s2)C1 ZINC000302082054 230085393 /nfs/dbraw/zinc/08/53/93/230085393.db2.gz CKUNDHFPNZXQSM-ZDUSSCGKSA-N 1 0 306.410 2.408 10 0 DEAERO c1ccc(OC2CCC2)c(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422915785 230276222 /nfs/dbraw/zinc/27/62/22/230276222.db2.gz YZNPRTDMNJKRAX-RTBURBONSA-N 1 0 316.445 2.475 10 0 DEAERO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(Cn3cccn3)CC2)C1 ZINC000105886347 424849668 /nfs/dbraw/zinc/84/96/68/424849668.db2.gz GDTMXVMCLJAVLE-HZPDHXFCSA-N 1 0 318.465 2.100 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)c1 ZINC000105881465 424849741 /nfs/dbraw/zinc/84/97/41/424849741.db2.gz HBWKZRRGLNRNAW-NSHDSACASA-N 1 0 308.332 2.087 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000194452122 424875556 /nfs/dbraw/zinc/87/55/56/424875556.db2.gz YSEYBUCWJNIEGJ-DOTOQJQBSA-N 1 0 319.449 2.202 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)COc2ccc(F)cc2Cl)C1 ZINC000194635345 424877600 /nfs/dbraw/zinc/87/76/00/424877600.db2.gz LOYVJLONCQQKBH-LBPRGKRZSA-N 1 0 314.788 2.458 10 0 DEAERO Cn1cc(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000153798330 424859842 /nfs/dbraw/zinc/85/98/42/424859842.db2.gz YNJDFPAKPLPJPK-GOSISDBHSA-N 1 0 312.417 2.205 10 0 DEAERO Cc1nc(N)nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379686929 424907553 /nfs/dbraw/zinc/90/75/53/424907553.db2.gz BYFJHDNUQYRWBW-WFASDCNBSA-N 1 0 312.421 2.227 10 0 DEAERO CC[C@H](C)n1nc(NC(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000333145893 424919698 /nfs/dbraw/zinc/91/96/98/424919698.db2.gz LVARWFSRPNZTIF-JSGCOSHPSA-N 1 0 307.442 2.768 10 0 DEAERO O[C@]1(CC[NH2+]Cc2cc(F)ccc2Br)CCOC1 ZINC000404188292 424926023 /nfs/dbraw/zinc/92/60/23/424926023.db2.gz DYXFIJOBVDQRNR-CYBMUJFWSA-N 1 0 318.186 2.219 10 0 DEAERO [NH3+]CC1(CCNC(=O)c2csc(Br)c2)CC1 ZINC000404792315 424928888 /nfs/dbraw/zinc/92/88/88/424928888.db2.gz LNURVKJQPOCXEC-UHFFFAOYSA-N 1 0 303.225 2.369 10 0 DEAERO C[C@H](CNC(=O)c1nscc1Br)[NH+]1CCCC1 ZINC000404888753 424929690 /nfs/dbraw/zinc/92/96/90/424929690.db2.gz HGGUUJWVRULUIG-MRVPVSSYSA-N 1 0 318.240 2.120 10 0 DEAERO CCO[C@@H]1CN(Cc2csc(Br)c2)C[C@H]1C[NH3+] ZINC000405455207 424931296 /nfs/dbraw/zinc/93/12/96/424931296.db2.gz PJSBKTPGZOUEEL-GHMZBOCLSA-N 1 0 319.268 2.306 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407316424 424932301 /nfs/dbraw/zinc/93/23/01/424932301.db2.gz POCDVOBHRMJPNN-COXVUDFISA-N 1 0 302.418 2.239 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1n[nH]c2c1cccc2Cl ZINC000435993219 425030006 /nfs/dbraw/zinc/03/00/06/425030006.db2.gz FPZVDGPKBWPBCP-LBPRGKRZSA-N 1 0 306.797 3.029 10 0 DEAERO Cc1ccncc1C[NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C ZINC000657482079 425345464 /nfs/dbraw/zinc/34/54/64/425345464.db2.gz PBZKUGKRXHBRDA-GOEBONIOSA-N 1 0 300.406 2.381 10 0 DEAERO CCC(=O)N1CCC[C@H](C(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000068899723 267369736 /nfs/dbraw/zinc/36/97/36/267369736.db2.gz YIYFAQAHDGUZRY-HNNXBMFYSA-N 1 0 323.481 2.016 10 0 DEAERO CCC(=O)N1CCC[C@@H](C(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000068899727 267369890 /nfs/dbraw/zinc/36/98/90/267369890.db2.gz YIYFAQAHDGUZRY-OAHLLOKOSA-N 1 0 323.481 2.016 10 0 DEAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@@H](C)[C@@H]2C)cc1 ZINC000333192694 268901231 /nfs/dbraw/zinc/90/12/31/268901231.db2.gz AFLIXIXDGWLONK-OQUILHJVSA-N 1 0 317.433 2.191 10 0 DEAERO CCn1ncc(NC(=O)N[C@H]2CCCC[NH2+]C2)c1C(F)(F)F ZINC000333313843 268924668 /nfs/dbraw/zinc/92/46/68/268924668.db2.gz MBGLNNZTONRIIY-VIFPVBQESA-N 1 0 319.331 2.185 10 0 DEAERO COc1cnc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000333387730 268937883 /nfs/dbraw/zinc/93/78/83/268937883.db2.gz WYNNUIUBASPPDG-LLVKDONJSA-N 1 0 310.423 2.148 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@@H](C3CCCCC3)C2)C1 ZINC000333660829 268972779 /nfs/dbraw/zinc/97/27/79/268972779.db2.gz LMZPHVZDNFTCLI-FVQBIDKESA-N 1 0 309.454 2.105 10 0 DEAERO O=C(NCCC1=CC[NH2+]CC1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000333734426 268984721 /nfs/dbraw/zinc/98/47/21/268984721.db2.gz WRVNMOLGVWNZSD-QGZVFWFLSA-N 1 0 321.465 2.287 10 0 DEAERO C[C@]1(CNC(=O)N2CCO[C@@H](C3CCCCC3)C2)CCC[NH2+]C1 ZINC000333882266 269000171 /nfs/dbraw/zinc/00/01/71/269000171.db2.gz WKZCMNDUVSNSHG-AEFFLSMTSA-N 1 0 323.481 2.367 10 0 DEAERO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000333926505 269004892 /nfs/dbraw/zinc/00/48/92/269004892.db2.gz VLWCQODTPVTOGB-SOUVJXGZSA-N 1 0 309.417 2.329 10 0 DEAERO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1csnn1 ZINC000334119641 269021661 /nfs/dbraw/zinc/02/16/61/269021661.db2.gz KFEPXNKOOPXDGH-CHWSQXEVSA-N 1 0 323.466 2.259 10 0 DEAERO Cc1nccn1CCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000363447506 269061681 /nfs/dbraw/zinc/06/16/81/269061681.db2.gz BTPWRGCELVUXPZ-UHFFFAOYSA-N 1 0 318.465 2.306 10 0 DEAERO Clc1cc(Br)cnc1NC[C@H]1C[NH2+]CCCO1 ZINC000390201827 269097029 /nfs/dbraw/zinc/09/70/29/269097029.db2.gz JIXNKJPBVVGUNW-SECBINFHSA-N 1 0 320.618 2.288 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)c2cccc(C[NH+](C)C)c2)no1 ZINC000443369465 269136810 /nfs/dbraw/zinc/13/68/10/269136810.db2.gz LIAFIPOGYFATBK-UHFFFAOYSA-N 1 0 316.405 2.359 10 0 DEAERO Cn1c(=O)ccc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc21 ZINC000516615525 269365187 /nfs/dbraw/zinc/36/51/87/269365187.db2.gz OQRYKAIVDVVCKW-OAHLLOKOSA-N 1 0 311.385 2.104 10 0 DEAERO CO[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000526074214 269502746 /nfs/dbraw/zinc/50/27/46/269502746.db2.gz NGHBIYHYXDWLJG-ZIAGYGMSSA-N 1 0 315.373 2.463 10 0 DEAERO CC[NH2+][C@H](C)CNC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000418204018 273686610 /nfs/dbraw/zinc/68/66/10/273686610.db2.gz XACYCVZYUSTJGN-BMFZPTHFSA-N 1 0 305.422 2.204 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(c2ncnc3cc(Cl)ccc32)C[C@H]1C ZINC000264353953 274272955 /nfs/dbraw/zinc/27/29/55/274272955.db2.gz STGBAFBBYNQXQY-VXGBXAGGSA-N 1 0 320.824 2.175 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(F)cc(F)c1 ZINC000058561904 274285698 /nfs/dbraw/zinc/28/56/98/274285698.db2.gz AMCCLARDZPZMCG-LLVKDONJSA-N 1 0 318.389 2.118 10 0 DEAERO Brc1cc2c(s1)CC[C@@H]2[NH2+]CCn1cncn1 ZINC000293893736 275368269 /nfs/dbraw/zinc/36/82/69/275368269.db2.gz WBSPAKXEQLEGOU-VIFPVBQESA-N 1 0 313.224 2.379 10 0 DEAERO CC(C)c1nn(C)cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000344700563 276072083 /nfs/dbraw/zinc/07/20/83/276072083.db2.gz PHPIBDTVDYOHSU-CQSZACIVSA-N 1 0 318.465 2.490 10 0 DEAERO CC1(C)C[C@H]([NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C(C)(C)O1 ZINC000132459376 276148195 /nfs/dbraw/zinc/14/81/95/276148195.db2.gz XOQBRHQNYWVGNF-ZNMIVQPWSA-N 1 0 324.465 2.092 10 0 DEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000194378985 276167707 /nfs/dbraw/zinc/16/77/07/276167707.db2.gz PULRBHDLZPJKTQ-DZGCQCFKSA-N 1 0 301.438 2.481 10 0 DEAERO CC[C@@H]([NH2+]CCc1nc(C)no1)c1ccc2c(c1)OCCO2 ZINC000089518342 276436281 /nfs/dbraw/zinc/43/62/81/276436281.db2.gz HXJXTCLOTRACAX-CYBMUJFWSA-N 1 0 303.362 2.433 10 0 DEAERO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000329019506 276550381 /nfs/dbraw/zinc/55/03/81/276550381.db2.gz LIOUWOGJCZIYOU-VMUDFCTBSA-N 1 0 304.438 2.250 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC000170858596 276795750 /nfs/dbraw/zinc/79/57/50/276795750.db2.gz DQJGJVKASWPPOA-JSGCOSHPSA-N 1 0 308.809 2.054 10 0 DEAERO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)/C=C/c2ccncn2)C1 ZINC000183874808 276878185 /nfs/dbraw/zinc/87/81/85/276878185.db2.gz BEFPAPNJJMYZSP-WAVCKPEOSA-N 1 0 308.385 2.009 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000095977442 277047372 /nfs/dbraw/zinc/04/73/72/277047372.db2.gz BVDZKOUXYTUCDF-HNNXBMFYSA-N 1 0 313.449 2.169 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c1C ZINC000188731479 277085593 /nfs/dbraw/zinc/08/55/93/277085593.db2.gz WFTNHEMZYOKIMQ-VXGBXAGGSA-N 1 0 303.406 2.118 10 0 DEAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)NC3CCCCC3)C2)CC1 ZINC000093886167 277110296 /nfs/dbraw/zinc/11/02/96/277110296.db2.gz MOPGPMSWDMMBLU-QGZVFWFLSA-N 1 0 322.497 2.131 10 0 DEAERO COC[C@H](C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186054250 277257005 /nfs/dbraw/zinc/25/70/05/277257005.db2.gz OWYZNLRTLHPSKR-YOEHRIQHSA-N 1 0 304.434 2.296 10 0 DEAERO CO[C@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[C@@H]1C ZINC000187602639 277748825 /nfs/dbraw/zinc/74/88/25/277748825.db2.gz NGDWZBNGWNBQGE-YOEHRIQHSA-N 1 0 323.481 2.460 10 0 DEAERO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262280874 277947200 /nfs/dbraw/zinc/94/72/00/277947200.db2.gz KZJFHVKMRBOSGK-DZUCGIPZSA-N 1 0 302.418 2.493 10 0 DEAERO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)C1(OC)CCOCC1)C2 ZINC000453167414 277977250 /nfs/dbraw/zinc/97/72/50/277977250.db2.gz RKLWTKCHUHFVIK-DZGCQCFKSA-N 1 0 321.417 2.172 10 0 DEAERO COc1cccc([C@H](C)[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000177214204 278021668 /nfs/dbraw/zinc/02/16/68/278021668.db2.gz YDPHHQPQKJVMNE-MPGHIAIKSA-N 1 0 304.434 2.409 10 0 DEAERO C[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C)[N@H+](C)C1CC1 ZINC000471823019 278200560 /nfs/dbraw/zinc/20/05/60/278200560.db2.gz CKKPXMUUACKDRP-CKYFFXLPSA-N 1 0 307.360 2.451 10 0 DEAERO CC(=O)OC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000372395236 278216055 /nfs/dbraw/zinc/21/60/55/278216055.db2.gz WTISZHPUXWUWEA-MRXNPFEDSA-N 1 0 324.465 2.443 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(F)n1 ZINC000271873983 278241577 /nfs/dbraw/zinc/24/15/77/278241577.db2.gz YQYYYTTVXHNEHZ-ZDUSSCGKSA-N 1 0 301.365 2.471 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1ccc(S(C)(=O)=O)cc1 ZINC000252884803 278280703 /nfs/dbraw/zinc/28/07/03/278280703.db2.gz WZFADEFKDCBMKU-VBNZEHGJSA-N 1 0 311.447 2.434 10 0 DEAERO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000434762852 278324667 /nfs/dbraw/zinc/32/46/67/278324667.db2.gz ITQITYKZRQFQLF-DOTOQJQBSA-N 1 0 321.509 2.345 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)c2ccccc21 ZINC000188975423 278378386 /nfs/dbraw/zinc/37/83/86/278378386.db2.gz ACZZTWJZYQZARC-XHDPSFHLSA-N 1 0 310.401 2.424 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185806953 278990786 /nfs/dbraw/zinc/99/07/86/278990786.db2.gz OLZMHIWDLPFDIT-HNNXBMFYSA-N 1 0 313.486 2.157 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000251552699 279064415 /nfs/dbraw/zinc/06/44/15/279064415.db2.gz HTVDMMMZJAXPNA-IKGGRYGDSA-N 1 0 321.465 2.236 10 0 DEAERO C[C@H](C(=O)N1CCCc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178625940 279197170 /nfs/dbraw/zinc/19/71/70/279197170.db2.gz DCQCTJWPGQFQDX-NVXWUHKLSA-N 1 0 313.445 2.134 10 0 DEAERO CC[N@H+](CCNC(=O)N[C@H]1CCOc2ccccc21)C1CC1 ZINC000171154070 279202199 /nfs/dbraw/zinc/20/21/99/279202199.db2.gz PCOIRCDFDYWSBB-HNNXBMFYSA-N 1 0 303.406 2.294 10 0 DEAERO CC(C)N(C(=O)CN(CC[NH3+])CCc1ccccc1)C(C)C ZINC000261712687 279274720 /nfs/dbraw/zinc/27/47/20/279274720.db2.gz HJQCHDBIWLPIDH-UHFFFAOYSA-N 1 0 305.466 2.135 10 0 DEAERO C[C@H](CNC(=O)N(C)C[C@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000111875827 279328173 /nfs/dbraw/zinc/32/81/73/279328173.db2.gz DYWWVGHMCMHJDF-NVXWUHKLSA-N 1 0 319.449 2.327 10 0 DEAERO C[C@H](O)CCC[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000450921699 279558455 /nfs/dbraw/zinc/55/84/55/279558455.db2.gz JPIIWGXYMXPNGU-RDJZCZTQSA-N 1 0 300.402 2.340 10 0 DEAERO CC(C)OCCN1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194067196 279667935 /nfs/dbraw/zinc/66/79/35/279667935.db2.gz JZSMKWXVZFWSSH-FGTMMUONSA-N 1 0 322.493 2.423 10 0 DEAERO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000123041235 279868539 /nfs/dbraw/zinc/86/85/39/279868539.db2.gz UTULDOPEFGURNY-QZTJIDSGSA-N 1 0 318.461 2.290 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(C[C@H](C)c2ccc(OC)cc2)CC1 ZINC000180163589 280207908 /nfs/dbraw/zinc/20/79/08/280207908.db2.gz GHJZZDSKBVDTOA-DOTOQJQBSA-N 1 0 306.450 2.187 10 0 DEAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C3CCOCC3)C1=O)CC2 ZINC000358185241 281096295 /nfs/dbraw/zinc/09/62/95/281096295.db2.gz XZPOZMJPOOOSNO-ZWKOTPCHSA-N 1 0 314.429 2.352 10 0 DEAERO Cc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170845123 281198143 /nfs/dbraw/zinc/19/81/43/281198143.db2.gz MGLAZTSVZATLRC-AWEZNQCLSA-N 1 0 317.433 2.219 10 0 DEAERO Cc1ccncc1CCC[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000368014535 281483266 /nfs/dbraw/zinc/48/32/66/281483266.db2.gz GMKCBXFUJVNHSA-GOSISDBHSA-N 1 0 324.428 2.222 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCCCC(C)(C)CO)CC1 ZINC000073952847 281548279 /nfs/dbraw/zinc/54/82/79/281548279.db2.gz UVGADVBUQSVFLZ-UHFFFAOYSA-N 1 0 313.486 2.206 10 0 DEAERO Cc1csc2c1ncnc2NC[C@H](O)C[NH+]1CCCCC1 ZINC000192496290 281746994 /nfs/dbraw/zinc/74/69/94/281746994.db2.gz LAHGZHIDEOEQTF-LBPRGKRZSA-N 1 0 306.435 2.258 10 0 DEAERO CCc1cc(C)c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)o1 ZINC000127396441 281857038 /nfs/dbraw/zinc/85/70/38/281857038.db2.gz ZIKNEEPUAVUHAG-OAHLLOKOSA-N 1 0 308.422 2.333 10 0 DEAERO C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000117806910 289086383 /nfs/dbraw/zinc/08/63/83/289086383.db2.gz GYDDULAJABNCQX-CKEIUWERSA-N 1 0 302.418 2.351 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N[C@H]2CCOC3(CCCC3)C2)C1 ZINC000341419587 289328012 /nfs/dbraw/zinc/32/80/12/289328012.db2.gz HLMMERAKVZOMRO-SOUVJXGZSA-N 1 0 309.454 2.260 10 0 DEAERO CO[C@H](C)[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248888411 294328708 /nfs/dbraw/zinc/32/87/08/294328708.db2.gz YHDMYIIVLVFHGJ-XNISGKROSA-N 1 0 305.422 2.154 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000262077585 295255189 /nfs/dbraw/zinc/25/51/89/295255189.db2.gz GVIQSLXWTDDPME-YVSFHVDLSA-N 1 0 302.418 2.398 10 0 DEAERO COc1ccccc1C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)C(C)C ZINC000166138524 295363961 /nfs/dbraw/zinc/36/39/61/295363961.db2.gz LULKZHJLCGBNMO-MRXNPFEDSA-N 1 0 319.449 2.395 10 0 DEAERO COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261691148 295396886 /nfs/dbraw/zinc/39/68/86/295396886.db2.gz HSYIVTZBLGOGGA-ZHCAMHROSA-N 1 0 302.418 2.216 10 0 DEAERO C[C@H]1CN(CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CCO1 ZINC000249020479 300259618 /nfs/dbraw/zinc/25/96/18/300259618.db2.gz KAWCXMUBMRNNQT-HOCLYGCPSA-N 1 0 318.417 2.273 10 0 DEAERO C[C@](CO)([NH2+]C[C@@H](O)COCc1ccccc1)C1CCCCC1 ZINC000133023986 300722208 /nfs/dbraw/zinc/72/22/08/300722208.db2.gz BZSDQOOHYONRLK-RTBURBONSA-N 1 0 321.461 2.485 10 0 DEAERO Cn1nccc1[C@H]1CCCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000370687670 303086440 /nfs/dbraw/zinc/08/64/40/303086440.db2.gz DHGFLUSRAWGAJA-QGZVFWFLSA-N 1 0 316.449 2.348 10 0 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CC1(C)CN(C(=O)c2ccc(Cn3cccn3)cc2)CC[C@H]1[NH3+] ZINC000261695912 520454333 /nfs/dbraw/zinc/45/43/33/520454333.db2.gz BESCMXLISPYMLS-MRXNPFEDSA-N 1 0 312.417 2.131 10 0 DEAERO Cc1ccc2[nH+]ccc(N3CCC(NS(C)(=O)=O)CC3)c2c1 ZINC000302143661 534521732 /nfs/dbraw/zinc/52/17/32/534521732.db2.gz GJKWLZVLJIYVOJ-UHFFFAOYSA-N 1 0 319.430 2.061 10 0 DEAERO CCCC[C@@H](COC)[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000157119782 521058502 /nfs/dbraw/zinc/05/85/02/521058502.db2.gz GLJDHEYNJPWDFH-HOCLYGCPSA-N 1 0 305.422 2.372 10 0 DEAERO CCCC[C@@H]([NH2+]CCn1cc(C)cn1)C(=O)Nc1cc(C)on1 ZINC000105881593 521099644 /nfs/dbraw/zinc/09/96/44/521099644.db2.gz HDQPXOYOTQVSHJ-CQSZACIVSA-N 1 0 319.409 2.275 10 0 DEAERO CCCc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n(C)n1 ZINC000246390916 521372525 /nfs/dbraw/zinc/37/25/25/521372525.db2.gz KXAQISZNWICVFF-JSGCOSHPSA-N 1 0 307.442 2.319 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000124714437 521716228 /nfs/dbraw/zinc/71/62/28/521716228.db2.gz 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C[C@H](O)c1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000246551003 525853458 /nfs/dbraw/zinc/85/34/58/525853458.db2.gz GVXPVTRMKKHELC-DXEWXGHRSA-N 1 0 302.418 2.277 10 0 DEAERO C[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)[C@H]1C[NH3+] ZINC000156597039 526263493 /nfs/dbraw/zinc/26/34/93/526263493.db2.gz GGEUMBACVIOAAL-HSRYQADGSA-N 1 0 316.401 2.057 10 0 DEAERO C=Cn1cc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)cn1 ZINC000447847648 526283403 /nfs/dbraw/zinc/28/34/03/526283403.db2.gz GUUWFFLUAHAYQI-UHFFFAOYSA-N 1 0 312.417 2.106 10 0 DEAERO c1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)n(-c2ccccc2)n1 ZINC000363941395 526428374 /nfs/dbraw/zinc/42/83/74/526428374.db2.gz WMQCEIVRQTWTQS-CRAIPNDOSA-N 1 0 313.401 2.300 10 0 DEAERO Cc1noc(CSc2ccccc2C(=O)NCC(C)(C)[NH3+])n1 ZINC000237637308 526628833 /nfs/dbraw/zinc/62/88/33/526628833.db2.gz LZPFANQFWDOOPM-UHFFFAOYSA-N 1 0 320.418 2.137 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000246199908 527365973 /nfs/dbraw/zinc/36/59/73/527365973.db2.gz DZPOVROOEQAYIO-BZHVJNSISA-N 1 0 317.216 2.270 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000246199918 527370093 /nfs/dbraw/zinc/37/00/93/527370093.db2.gz DZPOVROOEQAYIO-ZEGGKSINSA-N 1 0 317.216 2.270 10 0 DEAERO CC(C)C(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000194774456 527475998 /nfs/dbraw/zinc/47/59/98/527475998.db2.gz BJWJANBCTZQIOO-HNNXBMFYSA-N 1 0 323.481 2.013 10 0 DEAERO CC(C)C(CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C(C)C ZINC000194356216 527582911 /nfs/dbraw/zinc/58/29/11/527582911.db2.gz GHTNRXXFEASKHM-HNNXBMFYSA-N 1 0 313.486 2.061 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)N(C)CC1CC1 ZINC000157688300 527583806 /nfs/dbraw/zinc/58/38/06/527583806.db2.gz CFCGUPGQDBOIMV-GFCCVEGCSA-N 1 0 306.454 2.466 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247465778 527643621 /nfs/dbraw/zinc/64/36/21/527643621.db2.gz UUNBJHLDKNLTNT-AHIWAGSCSA-N 1 0 320.481 2.060 10 0 DEAERO CCN(C(=O)C[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1)C1CC1 ZINC000299751614 528955624 /nfs/dbraw/zinc/95/56/24/528955624.db2.gz QZYZYHSJEPHVCJ-OAHLLOKOSA-N 1 0 316.449 2.020 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](OC)C[C@H]2C)CC1 ZINC000441173077 528962140 /nfs/dbraw/zinc/96/21/40/528962140.db2.gz HSPMSZWCZWQTNH-GDBMZVCRSA-N 1 0 311.470 2.317 10 0 DEAERO CC[N@@H+]1CCC[C@H](Nc2ccc3nnc(C(C)(C)C)n3n2)C1 ZINC000302569705 529092087 /nfs/dbraw/zinc/09/20/87/529092087.db2.gz OXOQILHTRCZWPF-LBPRGKRZSA-N 1 0 302.426 2.318 10 0 DEAERO CC(C)[C@H](CNC(=O)NCCc1cn[nH]c1)[NH+]1CCC(C)CC1 ZINC000357651051 535004411 /nfs/dbraw/zinc/00/44/11/535004411.db2.gz MUIZFLWCJQNVNQ-INIZCTEOSA-N 1 0 321.469 2.008 10 0 DEAERO CCC(CC)[C@@H](CNC(=O)NCCc1cn[nH]c1)[NH+]1CCCC1 ZINC000358444730 535105845 /nfs/dbraw/zinc/10/58/45/535105845.db2.gz AFQIGAVZAUJWGU-MRXNPFEDSA-N 1 0 321.469 2.152 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H](CCO)C2CCCCC2)CC1 ZINC000358654992 535243930 /nfs/dbraw/zinc/24/39/30/535243930.db2.gz XIFUJUAFPCVVHP-QGZVFWFLSA-N 1 0 323.481 2.269 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2c(C)onc2CC)C1 ZINC000455016295 535256366 /nfs/dbraw/zinc/25/63/66/535256366.db2.gz VJGMUBJWPOYMSE-AWEZNQCLSA-N 1 0 322.453 2.419 10 0 DEAERO CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)CCO1 ZINC000449251209 535264456 /nfs/dbraw/zinc/26/44/56/535264456.db2.gz NWKWUYGHPLIQHE-GDBMZVCRSA-N 1 0 311.447 2.383 10 0 DEAERO CC1(C)CN(CC(=O)Nc2ccc(F)c(Cl)c2)CC[C@H]1[NH3+] ZINC000261758563 535353076 /nfs/dbraw/zinc/35/30/76/535353076.db2.gz UQJLXWGYPVGUBA-CYBMUJFWSA-N 1 0 313.804 2.477 10 0 DEAERO CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCC[N@H+]1CC=CCC1)C2 ZINC000373624681 535382638 /nfs/dbraw/zinc/38/26/38/535382638.db2.gz PLUGLOWKWDGOJM-CQSZACIVSA-N 1 0 316.449 2.016 10 0 DEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C1(C)C ZINC000262541427 535535559 /nfs/dbraw/zinc/53/55/59/535535559.db2.gz RDSZMKZWMWOVQX-FSZRXZPDSA-N 1 0 302.418 2.191 10 0 DEAERO CCOCC[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000053345157 535624926 /nfs/dbraw/zinc/62/49/26/535624926.db2.gz AMPLGPMFWWJUBH-UHFFFAOYSA-N 1 0 311.857 2.088 10 0 DEAERO CCOC(=O)c1csc([C@H]2CCCN2C[C@]2(C)CC[NH2+]C2)n1 ZINC000261986682 535729475 /nfs/dbraw/zinc/72/94/75/535729475.db2.gz JVWPTIRPKKBTSR-CZUORRHYSA-N 1 0 323.462 2.456 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261548679 535787666 /nfs/dbraw/zinc/78/76/66/535787666.db2.gz NVKRVRGIFZGEEL-JWTNVVGKSA-N 1 0 315.461 2.250 10 0 DEAERO CCc1noc2ncc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc12 ZINC000247382103 535901529 /nfs/dbraw/zinc/90/15/29/535901529.db2.gz LLWNWRPQFYWKIG-AAEUAGOBSA-N 1 0 316.405 2.340 10 0 DEAERO CN(C(=O)CN(CC[NH3+])CCc1ccccc1)c1ccccc1 ZINC000261671297 535982831 /nfs/dbraw/zinc/98/28/31/535982831.db2.gz CAXHQZZHBXNNJW-UHFFFAOYSA-N 1 0 311.429 2.153 10 0 DEAERO CC[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000255584789 536118427 /nfs/dbraw/zinc/11/84/27/536118427.db2.gz BSFLUWOLSHBLMQ-SDKNFDLMSA-N 1 0 309.454 2.211 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(OC)cc(OC)c1 ZINC000246836090 536169263 /nfs/dbraw/zinc/16/92/63/536169263.db2.gz BEJYVODQMRWTOL-GJZGRUSLSA-N 1 0 318.417 2.403 10 0 DEAERO C[NH2+][C@H](C)CNC(=O)c1ccc(SCc2nc(C)no2)cc1 ZINC000261786427 536400688 /nfs/dbraw/zinc/40/06/88/536400688.db2.gz QMZWEIHEIAVWKP-SNVBAGLBSA-N 1 0 320.418 2.008 10 0 DEAERO COc1ccc(Cl)c(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000192000624 536538362 /nfs/dbraw/zinc/53/83/62/536538362.db2.gz QGCUTVJLTIBRHO-CHWSQXEVSA-N 1 0 312.841 2.236 10 0 DEAERO COc1ccc(/C(C)=C/C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000185008290 536562011 /nfs/dbraw/zinc/56/20/11/536562011.db2.gz KRRVKUQUVCZFJS-WEOKRCGHSA-N 1 0 300.402 2.294 10 0 DEAERO COc1ccc(F)cc1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248467321 536618624 /nfs/dbraw/zinc/61/86/24/536618624.db2.gz FFCYIOFZBPYLMW-XJKSGUPXSA-N 1 0 320.408 2.320 10 0 DEAERO COC1([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)CCOCC1 ZINC000453100274 536706342 /nfs/dbraw/zinc/70/63/42/536706342.db2.gz RGZKWEMULGHKTO-WBVHZDCISA-N 1 0 307.434 2.011 10 0 DEAERO COc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(OC(F)F)c1 ZINC000191173374 536731625 /nfs/dbraw/zinc/73/16/25/536731625.db2.gz GZLZNDUNXJCFJQ-SNVBAGLBSA-N 1 0 314.332 2.073 10 0 DEAERO COC(=O)[C@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000358834005 536732852 /nfs/dbraw/zinc/73/28/52/536732852.db2.gz OIBPDBZXMFWHSD-QGZVFWFLSA-N 1 0 320.408 2.331 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC[C@H]1C ZINC000252059675 536737615 /nfs/dbraw/zinc/73/76/15/536737615.db2.gz ZQLJPTHFNGKEGJ-HLLBOEOZSA-N 1 0 304.434 2.390 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)C1 ZINC000191875107 536741969 /nfs/dbraw/zinc/74/19/69/536741969.db2.gz NFMVIBMRXXUNKX-RRQGHBQHSA-N 1 0 304.434 2.439 10 0 DEAERO COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261847000 536779891 /nfs/dbraw/zinc/77/98/91/536779891.db2.gz AYAWHGIKZUMYJD-RCCFBDPRSA-N 1 0 304.434 2.080 10 0 DEAERO COc1cc(C[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)ccc1C ZINC000194338555 536808123 /nfs/dbraw/zinc/80/81/23/536808123.db2.gz VVYDUKUPUSJPQV-MRXNPFEDSA-N 1 0 314.433 2.496 10 0 DEAERO COc1ccccc1C/C(C)=C/C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248666405 537007353 /nfs/dbraw/zinc/00/73/53/537007353.db2.gz WRFXCQHKAORVES-LZIRPLTPSA-N 1 0 314.429 2.380 10 0 DEAERO CCO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3C)[C@H]1O5 ZINC000004102203 560196594 /nfs/dbraw/zinc/19/65/94/560196594.db2.gz SWYNUDMXTNTERF-SSTWWWIQSA-N 1 0 313.397 2.242 10 0 in-vitro DEAERO CC(C)(C)OC(=O)NC1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000724100056 563496509 /nfs/dbraw/zinc/49/65/09/563496509.db2.gz LNPUJBHUCGOTJA-UHFFFAOYSA-N 1 0 306.410 2.218 10 0 DEAERO CN1CC[NH+]([C@@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000685952326 568422153 /nfs/dbraw/zinc/42/21/53/568422153.db2.gz GDIRCOGGYIWCCT-KRWDZBQOSA-N 1 0 311.470 2.414 10 0 DEAERO C[C@](O)(CO)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000394463086 625565604 /nfs/dbraw/zinc/56/56/04/625565604.db2.gz IMMCZQANYLOYRR-GOSISDBHSA-N 1 0 301.386 2.099 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)CCCSC(C)(C)C)CC1 ZINC000179407298 625643485 /nfs/dbraw/zinc/64/34/85/625643485.db2.gz WZFSCNKIDJYPHQ-CQSZACIVSA-N 1 0 316.511 2.213 10 0 DEAERO CNc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc(Cl)n1 ZINC000050777072 624079165 /nfs/dbraw/zinc/07/91/65/624079165.db2.gz PDGUGFDCKPPPLT-LBPRGKRZSA-N 1 0 312.845 2.483 10 0 DEAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000255421043 624701688 /nfs/dbraw/zinc/70/16/88/624701688.db2.gz SCUAQSKWQDQKBT-NXIHDVOMSA-N 1 0 312.410 2.185 10 0 DEAERO O=c1[nH]c2ccccc2cc1C[NH2+][C@H]1CCO[C@@H]1c1cc[nH]n1 ZINC000888077038 625054269 /nfs/dbraw/zinc/05/42/69/625054269.db2.gz FLIHPFFFKJRRHF-HOCLYGCPSA-N 1 0 310.357 2.283 10 0 DEAERO CC1(C)C[C@@H]([NH2+][C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)CO1 ZINC000888076850 625055490 /nfs/dbraw/zinc/05/54/90/625055490.db2.gz MKIRDNHUMJPPBP-OWCLPIDISA-N 1 0 305.422 2.280 10 0 DEAERO CC(C)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)Nc1ccccc1 ZINC000066243467 625056674 /nfs/dbraw/zinc/05/66/74/625056674.db2.gz XADUZNXMWLUXKI-JKSUJKDBSA-N 1 0 304.438 2.206 10 0 DEAERO COC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)C1CCOCC1 ZINC000187721363 625058896 /nfs/dbraw/zinc/05/88/96/625058896.db2.gz WRPRMKDUENMUNN-JKSUJKDBSA-N 1 0 313.825 2.405 10 0 DEAERO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000329002498 625153569 /nfs/dbraw/zinc/15/35/69/625153569.db2.gz WHYSMAQSCIKJBW-AEGPPILISA-N 1 0 301.394 2.058 10 0 DEAERO Cc1nonc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000736675544 633680112 /nfs/dbraw/zinc/68/01/12/633680112.db2.gz KTYAGONIPAPUQI-AWEZNQCLSA-N 1 0 306.410 2.106 10 0 DEAERO Cc1nc(C)n([C@H]2CCC[N@H+](Cc3c(C)ccnc3N)C2)n1 ZINC000894011352 636087029 /nfs/dbraw/zinc/08/70/29/636087029.db2.gz BJTLBZLQGGRPGH-AWEZNQCLSA-N 1 0 300.410 2.018 10 0 DEAERO CC[C@@H]1C[C@@H](C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC000248530192 636207214 /nfs/dbraw/zinc/20/72/14/636207214.db2.gz DWYJBYUQRYTOGT-ARFHVFGLSA-N 1 0 313.438 2.092 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000237063310 636362367 /nfs/dbraw/zinc/36/23/67/636362367.db2.gz UPMBNFTZFDXGNR-GFCCVEGCSA-N 1 0 315.373 2.146 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC000237074704 636371984 /nfs/dbraw/zinc/37/19/84/636371984.db2.gz RXWONPKTYWUGNI-ZFWWWQNUSA-N 1 0 306.406 2.319 10 0 DEAERO CCCC[C@H](C[NH3+])NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000178969691 637526291 /nfs/dbraw/zinc/52/62/91/637526291.db2.gz HBNHTIPQOXERGN-ATWMFIQVSA-N 1 0 300.399 2.233 10 0 DEAERO COCC[N@H+]1[C@H](C)CN(C(=O)NCCC2CCCC2)C[C@@H]1C ZINC000178965941 637527915 /nfs/dbraw/zinc/52/79/15/637527915.db2.gz UQQFSOBCDVXXAL-GASCZTMLSA-N 1 0 311.470 2.317 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=S)N[C@H]2CCOc3ccccc32)C1 ZINC000741479379 637985593 /nfs/dbraw/zinc/98/55/93/637985593.db2.gz KOKUZJAWMSNGPH-HIFRSBDPSA-N 1 0 319.474 2.316 10 0 DEAERO C[NH+](C)CCn1cc(NC(=O)N(C2CC2)C2CCCC2)cn1 ZINC000747555999 638449185 /nfs/dbraw/zinc/44/91/85/638449185.db2.gz FVGINNXGNRGQGI-UHFFFAOYSA-N 1 0 305.426 2.384 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H](C)c1ccncc1 ZINC000749833362 638686574 /nfs/dbraw/zinc/68/65/74/638686574.db2.gz NQIXZACTISAVIB-ZFWWWQNUSA-N 1 0 306.479 2.134 10 0 DEAERO C[NH+](C)CCN1CCN(C(=O)C=C2CCC(C)(C)CC2)CC1 ZINC000751561478 639094827 /nfs/dbraw/zinc/09/48/27/639094827.db2.gz ANVGSEOMUNKESY-UHFFFAOYSA-N 1 0 307.482 2.219 10 0 DEAERO COc1ccccc1CC(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000192462659 640706150 /nfs/dbraw/zinc/70/61/50/640706150.db2.gz JDKWQRHBBIBPSK-MRXNPFEDSA-N 1 0 321.417 2.138 10 0 DEAERO O=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000044502652 641116384 /nfs/dbraw/zinc/11/63/84/641116384.db2.gz JUNDJDHCCLSMBW-BUUCAEBMSA-N 1 0 314.838 2.230 10 0 DEAERO C[N@H+](CCNS(=O)(=O)/C=C/c1ccccc1)C1CCCC1 ZINC000104755170 650717693 /nfs/dbraw/zinc/71/76/93/650717693.db2.gz MJVLGHKHEZGNCH-SDNWHVSQSA-N 1 0 308.447 2.451 10 0 DEAERO Cc1nc2c(nccc2C(=O)NCC(C)(C)[NH+]2CCCCC2)[nH]1 ZINC000435384378 642156886 /nfs/dbraw/zinc/15/68/86/642156886.db2.gz LZXJCSJAWQOAKA-UHFFFAOYSA-N 1 0 315.421 2.261 10 0 DEAERO CN(C)C(=O)CCCOC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000806000622 644141108 /nfs/dbraw/zinc/14/11/08/644141108.db2.gz ACEBBEIFZIXMHN-UHFFFAOYSA-N 1 0 318.417 2.308 10 0 DEAERO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000800973669 645325758 /nfs/dbraw/zinc/32/57/58/645325758.db2.gz PBLQHRGXGJFBHJ-MCIONIFRSA-N 1 0 300.468 2.296 10 0 DEAERO C[C@H]1CCC[C@](CNC(=O)Cc2ccc(F)cn2)([NH+](C)C)C1 ZINC000806546587 645845268 /nfs/dbraw/zinc/84/52/68/645845268.db2.gz TWUSVGZQZKTYOG-GUYCJALGSA-N 1 0 307.413 2.390 10 0 DEAERO C[NH+]1CCC(Cc2nc(CCNC(=O)OC(C)(C)C)no2)CC1 ZINC000806659257 645859075 /nfs/dbraw/zinc/85/90/75/645859075.db2.gz QXQUTDOYUIACBG-UHFFFAOYSA-N 1 0 324.425 2.021 10 0 DEAERO O=S(=O)(c1ccccc1NC[C@@H]1CCC[NH2+]C1)C(F)F ZINC000044503312 646380968 /nfs/dbraw/zinc/38/09/68/646380968.db2.gz CVGAXVGPUJBYEN-SNVBAGLBSA-N 1 0 304.362 2.094 10 0 DEAERO O=S(=O)(/C=C/c1ccc(Cl)cc1)NCC1CC[NH2+]CC1 ZINC000044509135 646387499 /nfs/dbraw/zinc/38/74/99/646387499.db2.gz FUDNSCQGRQQZNO-JXMROGBWSA-N 1 0 314.838 2.230 10 0 DEAERO C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222544316 646451283 /nfs/dbraw/zinc/45/12/83/646451283.db2.gz MNSFVISPMMMMJX-SMDDNHRTSA-N 1 0 308.809 2.318 10 0 DEAERO CC[NH+]1CCN(c2nc(N3CCCC3)nc3[nH]c(C)cc32)CC1 ZINC000223925504 646506304 /nfs/dbraw/zinc/50/63/04/646506304.db2.gz BKYQDNUMURWZHN-UHFFFAOYSA-N 1 0 314.437 2.008 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)c(N)cc2OC)C1 ZINC000165943406 646511249 /nfs/dbraw/zinc/51/12/49/646511249.db2.gz OVWSRNXWIZZNCA-JTQLQIEISA-N 1 0 311.813 2.145 10 0 DEAERO CNc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc(Cl)n1 ZINC000226655739 646585270 /nfs/dbraw/zinc/58/52/70/646585270.db2.gz CCLQVQBLYLHJGX-JQWIXIFHSA-N 1 0 308.813 2.085 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)O ZINC000227658691 646605078 /nfs/dbraw/zinc/60/50/78/646605078.db2.gz REXWJDJTTCBQLO-STQMWFEESA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1cncs1 ZINC000229114946 646667753 /nfs/dbraw/zinc/66/77/53/646667753.db2.gz CJPMQHQIOBEXIU-VHSXEESVSA-N 1 0 311.432 2.202 10 0 DEAERO COC(OC)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000229822250 646702880 /nfs/dbraw/zinc/70/28/80/646702880.db2.gz VVXKPQJQPZRHEI-CHWSQXEVSA-N 1 0 316.442 2.231 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(CO)o2)C1 ZINC000230167129 646720634 /nfs/dbraw/zinc/72/06/34/646720634.db2.gz JVEOLNMFELFMSD-LBPRGKRZSA-N 1 0 310.394 2.119 10 0 DEAERO COCC[C@H]([NH3+])C(=O)Nc1cccc(Br)c1C ZINC000232211179 646796376 /nfs/dbraw/zinc/79/63/76/646796376.db2.gz QQDLSMXENYEESX-JTQLQIEISA-N 1 0 301.184 2.060 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000232616188 646815601 /nfs/dbraw/zinc/81/56/01/646815601.db2.gz GDHLBAKWIOFKMC-UONOGXRCSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1ncn(C(C)(C)C)c1=S ZINC000153215530 647386445 /nfs/dbraw/zinc/38/64/45/647386445.db2.gz BDVZIGWXQUIKMV-CHWSQXEVSA-N 1 0 309.483 2.295 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCCCCCC2)C[C@H]1C ZINC000153344467 647422161 /nfs/dbraw/zinc/42/21/61/647422161.db2.gz YINRZNLERQRHAI-HUUCEWRRSA-N 1 0 311.470 2.196 10 0 DEAERO Cc1ccc(C[N@@H+]2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)o1 ZINC000818184101 647428842 /nfs/dbraw/zinc/42/88/42/647428842.db2.gz FFKQEVHQPHHQJX-QGZVFWFLSA-N 1 0 317.389 2.418 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)C[C@@H]2CSCCS2)CC1 ZINC000153376575 647430656 /nfs/dbraw/zinc/43/06/56/647430656.db2.gz ZEPFKTLAWCJVEY-JXQTWKCFSA-N 1 0 316.536 2.462 10 0 DEAERO O=C1OCCN1CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000731103791 647447099 /nfs/dbraw/zinc/44/70/99/647447099.db2.gz IJUCVMLVCNBOMN-MRXNPFEDSA-N 1 0 309.454 2.027 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)c(C(=O)OC)c2)C1 ZINC000732426466 647579996 /nfs/dbraw/zinc/57/99/96/647579996.db2.gz VFDJWQYTLOFZIY-NSHDSACASA-N 1 0 323.368 2.076 10 0 DEAERO Cc1cc(C)cc([C@@H]2CC[N@@H+](CC(=O)N3CCO[C@H](C)C3)C2)c1 ZINC000183464444 649084299 /nfs/dbraw/zinc/08/42/99/649084299.db2.gz PMVVGJABOJWABT-IAGOWNOFSA-N 1 0 316.445 2.340 10 0 DEAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc(Cl)nc(N(C)C)c2)C1 ZINC000733360972 649555339 /nfs/dbraw/zinc/55/53/39/649555339.db2.gz XPYSCEBPEYEYON-CYBMUJFWSA-N 1 0 324.856 2.404 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)Cc2ccc(F)cc2)C1 ZINC000073184892 649654682 /nfs/dbraw/zinc/65/46/82/649654682.db2.gz OPXWGJWCRFTBNP-INIZCTEOSA-N 1 0 309.381 2.268 10 0 DEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Br)c1 ZINC000111264639 652542530 /nfs/dbraw/zinc/54/25/30/652542530.db2.gz VVXADSAJANAAQF-GBIKHYSHSA-N 1 0 311.223 2.482 10 0 DEAERO [NH3+][C@@H](CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000379667363 685393105 /nfs/dbraw/zinc/39/31/05/685393105.db2.gz ZJIPUNVGYQBXCB-MSOLQXFVSA-N 1 0 315.461 2.285 10 0 DEAERO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000380894340 685398254 /nfs/dbraw/zinc/39/82/54/685398254.db2.gz BFJBKZFKZKBYCF-SMFNXNMFSA-N 1 0 314.838 2.358 10 0 DEAERO COCC[C@H](COC)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000382061954 685402940 /nfs/dbraw/zinc/40/29/40/685402940.db2.gz PVOBOCIWJXGAEV-KBAYOESNSA-N 1 0 306.450 2.291 10 0 DEAERO CO[C@@H]1CCC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000383592337 685408618 /nfs/dbraw/zinc/40/86/18/685408618.db2.gz OEDOFMPYSHPFKK-NWDGAFQWSA-N 1 0 302.216 2.193 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+]CC2(C)CCCC2)CC1 ZINC000394596582 685456361 /nfs/dbraw/zinc/45/63/61/685456361.db2.gz KOPGVGIUHQJVFT-UHFFFAOYSA-N 1 0 302.484 2.361 10 0 DEAERO CC[C@@H]1CCc2c(sc(=O)n2CN2CC[NH+](C3CC3)CC2)C1 ZINC000076265407 683941890 /nfs/dbraw/zinc/94/18/90/683941890.db2.gz ZFFSJZXXGMYGQS-CYBMUJFWSA-N 1 0 321.490 2.162 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCS2(=O)=O)C12CCCCC2 ZINC000126864102 684157777 /nfs/dbraw/zinc/15/77/77/684157777.db2.gz YQJIPDWJFUBGGX-SOUVJXGZSA-N 1 0 315.479 2.281 10 0 DEAERO S=c1n(-c2ccccc2)cnn1CN1CC[NH+](C2CC2)CC1 ZINC000129095057 684175797 /nfs/dbraw/zinc/17/57/97/684175797.db2.gz DFIMSXFWWVEQIU-UHFFFAOYSA-N 1 0 315.446 2.141 10 0 DEAERO Cc1cncc(/C=C/C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000131969720 684204318 /nfs/dbraw/zinc/20/43/18/684204318.db2.gz HXEJMZGVXZOCCJ-BDUNBXCCSA-N 1 0 318.417 2.303 10 0 DEAERO C[C@@H]1CCCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)[C@@H]1C[NH3+] ZINC000156739871 684291511 /nfs/dbraw/zinc/29/15/11/684291511.db2.gz DBTAKGQLCQBMBU-VBOZERGBSA-N 1 0 324.428 2.471 10 0 DEAERO C[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(F)c(Cl)c1 ZINC000187637908 684340968 /nfs/dbraw/zinc/34/09/68/684340968.db2.gz APOYTCALLPMSCR-VIFPVBQESA-N 1 0 320.817 2.021 10 0 DEAERO CC[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000187642258 684341649 /nfs/dbraw/zinc/34/16/49/684341649.db2.gz ULWPEMCUTVGFIR-CQSZACIVSA-N 1 0 316.854 2.272 10 0 DEAERO CO[C@H]1CN(CN2C(=O)OC[C@@H]2Cc2ccccc2)CC[C@H]1C ZINC000190198286 684397865 /nfs/dbraw/zinc/39/78/65/684397865.db2.gz KSCUJPPLOBDCEC-PVAVHDDUSA-N 1 0 318.417 2.364 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCOC1 ZINC000192819292 684458690 /nfs/dbraw/zinc/45/86/90/684458690.db2.gz QZEDVXQWRCDLGX-DLBZAZTESA-N 1 0 304.434 2.092 10 0 DEAERO C[C@H]([NH3+])CCC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000193246066 685035904 /nfs/dbraw/zinc/03/59/04/685035904.db2.gz WHVUGVANJAHREC-SJCJKPOMSA-N 1 0 308.397 2.225 10 0 DEAERO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000223131353 685107430 /nfs/dbraw/zinc/10/74/30/685107430.db2.gz OCWLCWWOARMHHF-WCFLWFBJSA-N 1 0 314.476 2.269 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000245429502 685111262 /nfs/dbraw/zinc/11/12/62/685111262.db2.gz YORRUKIWWLWKNG-DLBZAZTESA-N 1 0 301.434 2.334 10 0 DEAERO COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H](C)C2CCCC2)C[C@@H]1C ZINC000246594265 685133316 /nfs/dbraw/zinc/13/33/16/685133316.db2.gz OJGNENBJZTVUOQ-QLFBSQMISA-N 1 0 311.470 2.316 10 0 DEAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2cc(C)cc(C)c2)C[C@H]1C ZINC000246696841 685134342 /nfs/dbraw/zinc/13/43/42/685134342.db2.gz JBWJHKXRIXCOSJ-MJGOQNOKSA-N 1 0 320.477 2.379 10 0 DEAERO CCOCC[N@@H+]1CCN(C[C@@H](O)c2cc(C)cc(C)c2)C[C@@H]1C ZINC000246696854 685134542 /nfs/dbraw/zinc/13/45/42/685134542.db2.gz JBWJHKXRIXCOSJ-PKOBYXMFSA-N 1 0 320.477 2.379 10 0 DEAERO CC[C@@H]1CN(C[C@H](O)c2cc(C)cc(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000246797657 685136961 /nfs/dbraw/zinc/13/69/61/685136961.db2.gz VEFCEHRBAXHPQE-UHOSZYNNSA-N 1 0 320.477 2.114 10 0 DEAERO Cc1ccc2oc(=O)n(CN3C[C@H]4CCC[N@H+]4C[C@H]3C)c2c1 ZINC000246954734 685139355 /nfs/dbraw/zinc/13/93/55/685139355.db2.gz FUUPXLIKOLCRNH-ZIAGYGMSSA-N 1 0 301.390 2.029 10 0 DEAERO Cc1ccc(N2CCC[C@@H](N3CC[N@@H+]4CCC[C@H]4C3)C2=O)cc1 ZINC000247640853 685151343 /nfs/dbraw/zinc/15/13/43/685151343.db2.gz SWKAXKKEZIFXST-ZWKOTPCHSA-N 1 0 313.445 2.270 10 0 DEAERO Cc1cc(C)cc([C@@H](O)CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000249431532 685179779 /nfs/dbraw/zinc/17/97/79/685179779.db2.gz ZEWUUNZBCBDLGK-WMZOPIPTSA-N 1 0 320.477 2.114 10 0 DEAERO CC[C@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)CC[C@H]1[NH3+] ZINC000251642668 685192085 /nfs/dbraw/zinc/19/20/85/685192085.db2.gz GBAZDWKXXPFKES-GXFFZTMASA-N 1 0 318.389 2.247 10 0 DEAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)c2cccn2C(C)C)C1 ZINC000886078300 691998895 /nfs/dbraw/zinc/99/88/95/691998895.db2.gz UPARZOQGEKOMFX-OAGGEKHMSA-N 1 0 319.449 2.441 10 0 DEAERO C[C@H](O)C[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000398581163 790280249 /nfs/dbraw/zinc/28/02/49/790280249.db2.gz TZGOAFBQSPVRIW-MELADBBJSA-N 1 0 300.443 2.383 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000722596650 776544175 /nfs/dbraw/zinc/54/41/75/776544175.db2.gz LTFYFXFAHMBFLR-CHWSQXEVSA-N 1 0 314.476 2.046 10 0 DEAERO FC(F)(F)[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](C3OCCO3)C2)O1 ZINC000721476228 777094715 /nfs/dbraw/zinc/09/47/15/777094715.db2.gz LUEBMDCBRRFHFF-UTUOFQBUSA-N 1 0 309.328 2.181 10 0 DEAERO CO[C@@](C)(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1CC1 ZINC000724036120 777225649 /nfs/dbraw/zinc/22/56/49/777225649.db2.gz KBCRLPZANAHFMT-UWVGGRQHSA-N 1 0 305.287 2.340 10 0 DEAERO CC[C@@H](C)N(C)CC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724041273 777227896 /nfs/dbraw/zinc/22/78/96/777227896.db2.gz NCHYLSSQLOEKCW-NXEZZACHSA-N 1 0 306.319 2.255 10 0 DEAERO C[C@](O)(C[N@@H+]1CCC[C@](C)(O)CC1)C(F)(F)C(F)(F)F ZINC000724041749 777228719 /nfs/dbraw/zinc/22/87/19/777228719.db2.gz OVVRXXACHZSVGY-UWVGGRQHSA-N 1 0 305.287 2.172 10 0 DEAERO C[C@@](O)(C[NH2+]C1CCC(C)(O)CC1)C(F)(F)C(F)(F)F ZINC000724100101 777241226 /nfs/dbraw/zinc/24/12/26/777241226.db2.gz BVMVRKDAFWHRRE-UDNWOFFPSA-N 1 0 305.287 2.218 10 0 DEAERO Brc1csc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000724617971 777398466 /nfs/dbraw/zinc/39/84/66/777398466.db2.gz PTCBRTMHYBXRCR-QRTLGDNMSA-N 1 0 318.236 2.404 10 0 DEAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1nscc1Br ZINC000404843688 777502818 /nfs/dbraw/zinc/50/28/18/777502818.db2.gz COIVMOPRGKMORO-VIFPVBQESA-N 1 0 320.256 2.222 10 0 DEAERO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC12CC(O)C2 ZINC000724915934 777520308 /nfs/dbraw/zinc/52/03/08/777520308.db2.gz VAKPRPVOUZLEQO-ZBUZPQQSSA-N 1 0 312.454 2.286 10 0 DEAERO C[C@H]([NH2+][C@H]1CC12CC(O)C2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000724917641 777520959 /nfs/dbraw/zinc/52/09/59/777520959.db2.gz JSXGPLCTNDGAGA-VSQGTZNVSA-N 1 0 310.438 2.135 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CC23CC(O)C3)C1 ZINC000724954536 777534901 /nfs/dbraw/zinc/53/49/01/777534901.db2.gz ZUGMQCNDSKISOZ-XCCIUEIHSA-N 1 0 310.438 2.137 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000725116573 777589598 /nfs/dbraw/zinc/58/95/98/777589598.db2.gz HOVZZZSNGKAUHM-CYBMUJFWSA-N 1 0 310.444 2.343 10 0 DEAERO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)CCO1 ZINC000721592267 777600842 /nfs/dbraw/zinc/60/08/42/777600842.db2.gz GFXUXTNDIXDUQF-RDBSUJKOSA-N 1 0 303.468 2.137 10 0 DEAERO COCC[C@@H](COC)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000393940081 777894044 /nfs/dbraw/zinc/89/40/44/777894044.db2.gz HAFSASJCVSUCNR-UONOGXRCSA-N 1 0 316.442 2.027 10 0 DEAERO CCN(Cc1ccc(Cl)s1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000722240196 778511899 /nfs/dbraw/zinc/51/18/99/778511899.db2.gz BMSDUEFIAOVYFL-NSHDSACASA-N 1 0 322.883 2.305 10 0 DEAERO C[C@H]1CN(C)C[C@@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000722268292 778555281 /nfs/dbraw/zinc/55/52/81/778555281.db2.gz XIDDNMWUGVDJLL-PPWQZUPISA-N 1 0 311.470 2.362 10 0 DEAERO C[C@H]1CN(C)C[C@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000722268294 778555731 /nfs/dbraw/zinc/55/57/31/778555731.db2.gz XIDDNMWUGVDJLL-VXGQWTEUSA-N 1 0 311.470 2.362 10 0 DEAERO Cc1nn(C)c(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c1Cl ZINC000722344139 778636845 /nfs/dbraw/zinc/63/68/45/778636845.db2.gz AEULNWISZNQOPU-AWEZNQCLSA-N 1 0 301.818 2.056 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c1C ZINC000722571465 778791299 /nfs/dbraw/zinc/79/12/99/778791299.db2.gz UHFYTNOMVLSACY-VIFPVBQESA-N 1 0 304.481 2.469 10 0 DEAERO CO[C@]1(C[NH2+][C@H](C)c2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000721258571 781017406 /nfs/dbraw/zinc/01/74/06/781017406.db2.gz IDZPMQYSCJXICF-RISCZKNCSA-N 1 0 317.838 2.194 10 0 DEAERO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(Br)c1 ZINC000712313082 784814042 /nfs/dbraw/zinc/81/40/42/784814042.db2.gz GHHTZAHEQFGICY-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Br)c(F)c1 ZINC000712315314 784815256 /nfs/dbraw/zinc/81/52/56/784815256.db2.gz QAZWGURJBMKXSR-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO Cc1ccc([C@@H](CNC(=O)N(C)CC2CC(O)C2)[NH+](C)C)cc1 ZINC000190404173 786403293 /nfs/dbraw/zinc/40/32/93/786403293.db2.gz WDICZNPJBWVXQK-BDVYOWHSSA-N 1 0 319.449 2.010 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000722632225 787336283 /nfs/dbraw/zinc/33/62/83/787336283.db2.gz XSPPTQFPMFXFOO-LAVFITLUSA-N 1 0 316.445 2.032 10 0 DEAERO Cc1sc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1Br ZINC000723570081 787344360 /nfs/dbraw/zinc/34/43/60/787344360.db2.gz AALXAAQARLYEPL-VIFPVBQESA-N 1 0 317.252 2.387 10 0 DEAERO CN1C[C@@H](CC[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1=O ZINC000723581994 787344556 /nfs/dbraw/zinc/34/45/56/787344556.db2.gz MQHSDTPDUJSXBS-ZWKOTPCHSA-N 1 0 315.461 2.109 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1cncn1C ZINC000723820661 787345403 /nfs/dbraw/zinc/34/54/03/787345403.db2.gz GZKIGZUYCHNWGT-CHWSQXEVSA-N 1 0 308.426 2.013 10 0 DEAERO CC(C)(C)C[C@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724050527 787347769 /nfs/dbraw/zinc/34/77/69/787347769.db2.gz YEBGWAGIOJZLRM-WCBMZHEXSA-N 1 0 307.303 2.322 10 0 DEAERO C[C@](O)(C[NH2+][C@@H]1CO[C@H](C2CC2)C1)C(F)(F)C(F)(F)F ZINC000724092997 787349024 /nfs/dbraw/zinc/34/90/24/787349024.db2.gz KIMIONQTXQMLSF-GUBZILKMSA-N 1 0 303.271 2.092 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000397637161 790207692 /nfs/dbraw/zinc/20/76/92/790207692.db2.gz PVPKSKOPQKAIQI-LBPRGKRZSA-N 1 0 306.410 2.303 10 0 DEAERO O[C@H](C[NH2+]CC1=CCOCC1)c1cccc(Br)c1 ZINC000397716095 790212677 /nfs/dbraw/zinc/21/26/77/790212677.db2.gz SJZOQHOSRQROLR-CQSZACIVSA-N 1 0 312.207 2.419 10 0 DEAERO COCCNC(=S)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397981484 790238035 /nfs/dbraw/zinc/23/80/35/790238035.db2.gz ICYAKTPHGFHWQA-QGZVFWFLSA-N 1 0 321.490 2.152 10 0 DEAERO C[C@H]([NH2+]Cc1cn(C)nc1Br)[C@@H]1CCCOC1 ZINC000712397228 792186074 /nfs/dbraw/zinc/18/60/74/792186074.db2.gz LYHYKSXLOXNXSH-VHSXEESVSA-N 1 0 302.216 2.087 10 0 DEAERO Cn1ncc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)c1Cl ZINC000712415780 792186788 /nfs/dbraw/zinc/18/67/88/792186788.db2.gz OIFSTBMALPFEHS-UHFFFAOYSA-N 1 0 316.833 2.466 10 0 DEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cn(C)nc2Br)[C@H](C)O1 ZINC000712499160 792190121 /nfs/dbraw/zinc/19/01/21/792190121.db2.gz WHJFOYFZWHMAAX-UTLUCORTSA-N 1 0 302.216 2.086 10 0 DEAERO CCC(CC)(C[NH2+]Cc1cn(C)nc1Br)OC ZINC000712497698 792190298 /nfs/dbraw/zinc/19/02/98/792190298.db2.gz YAJFJGYWGOWFDI-UHFFFAOYSA-N 1 0 304.232 2.477 10 0 DEAERO CO[C@](C)(C[NH2+]Cc1cn(C)nc1Br)C1CC1 ZINC000712483310 792190858 /nfs/dbraw/zinc/19/08/58/792190858.db2.gz SBWSURKYNLJOAZ-GFCCVEGCSA-N 1 0 302.216 2.087 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000712605141 792191937 /nfs/dbraw/zinc/19/19/37/792191937.db2.gz KLXGPZLOYTVQRO-QLFBSQMISA-N 1 0 311.470 2.316 10 0 DEAERO O=S(=O)(CC1CCCCC1)N1CC[NH2+]CCC12CCC2 ZINC000713203439 792216880 /nfs/dbraw/zinc/21/68/80/792216880.db2.gz GTTJBOQPBXHENK-UHFFFAOYSA-N 1 0 300.468 2.115 10 0 DEAERO C[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)COCc1ccccc1 ZINC000713424448 792231976 /nfs/dbraw/zinc/23/19/76/792231976.db2.gz JKTIIWJGSQXXFB-DNMXQMFDSA-N 1 0 302.418 2.083 10 0 DEAERO O=S(=O)(N[C@H]1CCCCC12CC[NH2+]CC2)c1ccsc1 ZINC000714334332 792308848 /nfs/dbraw/zinc/30/88/48/792308848.db2.gz QIEFXLYXSCUBKZ-ZDUSSCGKSA-N 1 0 314.476 2.339 10 0 DEAERO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Cl)cn1 ZINC000714343252 792308968 /nfs/dbraw/zinc/30/89/68/792308968.db2.gz VPPVUYSFJCCCON-CMPLNLGQSA-N 1 0 302.827 2.353 10 0 DEAERO CCCn1cc(CN[C@@H](C)C[N@H+](C)Cc2ccccc2)nn1 ZINC000714454329 792322478 /nfs/dbraw/zinc/32/24/78/792322478.db2.gz CRHAPSXFHABTBP-HNNXBMFYSA-N 1 0 301.438 2.298 10 0 DEAERO [NH3+]C1CCC(C(=O)NCc2ncc(Br)s2)CC1 ZINC000714933999 792359020 /nfs/dbraw/zinc/35/90/20/792359020.db2.gz DHSVQMZLFVPWIW-UHFFFAOYSA-N 1 0 318.240 2.039 10 0 DEAERO [NH3+]C1(C(=O)NCc2ncc(Br)s2)CCCCC1 ZINC000714936130 792359135 /nfs/dbraw/zinc/35/91/35/792359135.db2.gz WTXYESXZHZPKIS-UHFFFAOYSA-N 1 0 318.240 2.183 10 0 DEAERO Cc1nc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)[nH]c1C ZINC000715092296 792381290 /nfs/dbraw/zinc/38/12/90/792381290.db2.gz DRSSMXJOONVADB-UHFFFAOYSA-N 1 0 308.426 2.419 10 0 DEAERO CCc1nnc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)s1 ZINC000716219605 792942277 /nfs/dbraw/zinc/94/22/77/792942277.db2.gz DCKCEFWTNCFKHL-AWEZNQCLSA-N 1 0 302.447 2.465 10 0 DEAERO COC[C@H](O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620181 792978336 /nfs/dbraw/zinc/97/83/36/792978336.db2.gz LNHVSFNVXGAUHL-ZSYWTGECSA-N 1 0 318.461 2.027 10 0 DEAERO C[C@@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)N(C)C ZINC000716730989 793003058 /nfs/dbraw/zinc/00/30/58/793003058.db2.gz ISZBEAOAQIDOOZ-UBDQQSCGSA-N 1 0 315.461 2.106 10 0 DEAERO O=C1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CN1CC1CC1 ZINC000716766886 793006941 /nfs/dbraw/zinc/00/69/41/793006941.db2.gz WDULMKLEOYSWHD-GOSISDBHSA-N 1 0 324.428 2.032 10 0 DEAERO CC[C@H](C[C@H](C)O)[NH2+]Cc1c(Br)c(C)nn1C ZINC000716795386 793007174 /nfs/dbraw/zinc/00/71/74/793007174.db2.gz CKIVVWKPKXJCSA-WCBMZHEXSA-N 1 0 304.232 2.130 10 0 DEAERO [NH3+][C@@H]1CN(c2nnc(C(F)F)s2)CC[C@@H]1C(F)(F)F ZINC000716985002 798338711 /nfs/dbraw/zinc/33/87/11/798338711.db2.gz IEVVGVRYCUSEKZ-CRCLSJGQSA-N 1 0 302.272 2.192 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H](CO)C2CCC2)CC1 ZINC000717585169 799425691 /nfs/dbraw/zinc/42/56/91/799425691.db2.gz XQCAGKUEAUSWPF-HNNXBMFYSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@H]([NH2+]CC1(CO)CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000717644396 799427677 /nfs/dbraw/zinc/42/76/77/799427677.db2.gz ZZEQXMBFSDAOLT-KBPBESRZSA-N 1 0 312.454 2.384 10 0 DEAERO O=S(=O)(CC1CCCCC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000401631084 801835884 /nfs/dbraw/zinc/83/58/84/801835884.db2.gz WGYRASQJTOXJEZ-AWEZNQCLSA-N 1 0 300.468 2.161 10 0 DEAERO C[C@@H](CCCO)[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401722421 801846292 /nfs/dbraw/zinc/84/62/92/801846292.db2.gz BFDDDCOVUIVCGW-HZSPNIEDSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC000401751482 801848853 /nfs/dbraw/zinc/84/88/53/801848853.db2.gz YALPIWYHFJOCFL-OCCSQVGLSA-N 1 0 308.426 2.155 10 0 DEAERO CC(C)[C@@H](CO)C[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401795198 801852420 /nfs/dbraw/zinc/85/24/20/801852420.db2.gz DZPRMBAIVHVLIW-KFWWJZLASA-N 1 0 314.470 2.486 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C2CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401786725 801852470 /nfs/dbraw/zinc/85/24/70/801852470.db2.gz ABRXVARYHVNWHD-HACGYAERSA-N 1 0 312.454 2.383 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000403605132 801955149 /nfs/dbraw/zinc/95/51/49/801955149.db2.gz SPKUWRSNBGLWBK-WYTNZGFTSA-N 1 0 303.493 2.358 10 0 DEAERO Cn1ccnc1C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000404629088 802026044 /nfs/dbraw/zinc/02/60/44/802026044.db2.gz FDXJLZWUWXYEHK-OLZOCXBDSA-N 1 0 320.437 2.346 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CC(C)(C)CO)C12CCC2 ZINC000404736894 802028789 /nfs/dbraw/zinc/02/87/89/802028789.db2.gz FVJRDJFDPQBXSI-OLZOCXBDSA-N 1 0 312.454 2.430 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnccn2)C12CCC2 ZINC000404771841 802030712 /nfs/dbraw/zinc/03/07/12/802030712.db2.gz ZQPPVODVYYSMOD-KBPBESRZSA-N 1 0 318.421 2.402 10 0 DEAERO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccnc(F)c1F ZINC000193573883 802463728 /nfs/dbraw/zinc/46/37/28/802463728.db2.gz GZZYFHWVQDPCHP-GFCCVEGCSA-N 1 0 309.360 2.354 10 0 DEAERO O=C(CC[NH2+]Cc1ccc2c(c1)OCCO2)NC1CCCCC1 ZINC000074312521 1080206329 /nfs/dbraw/zinc/20/63/29/1080206329.db2.gz NVJUNQCEEDVNBG-UHFFFAOYSA-N 1 0 318.417 2.386 10 0 DEAERO CC(C)(CCS(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)C1CC1 ZINC000718023708 1081864832 /nfs/dbraw/zinc/86/48/32/1081864832.db2.gz POJXREYLPCEYLM-DZGCQCFKSA-N 1 0 300.468 2.017 10 0 DEAERO C/C(=C/c1ccc(C)cc1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000588399842 1082279046 /nfs/dbraw/zinc/27/90/46/1082279046.db2.gz YVMGEIISOJZGNZ-SSZFMOIBSA-N 1 0 316.445 2.313 10 0 DEAERO Cc1c[nH]c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1 ZINC000721939220 1084715283 /nfs/dbraw/zinc/71/52/83/1084715283.db2.gz KBSSLLLDGLSYGS-GFCCVEGCSA-N 1 0 308.426 2.453 10 0 DEAERO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000720509196 1085261519 /nfs/dbraw/zinc/26/15/19/1085261519.db2.gz GXXKFWYDYQEMCG-QWHCGFSZSA-N 1 0 314.886 2.051 10 0 DEAERO Cc1cc(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)sc1Cl ZINC000721027169 1085590625 /nfs/dbraw/zinc/59/06/25/1085590625.db2.gz JHUMVMUDGRVOKU-NXEZZACHSA-N 1 0 322.883 2.234 10 0 DEAERO CC(C)C[C@H]([NH3+])c1noc(-c2cnn(C)c2Br)n1 ZINC000721077036 1085655435 /nfs/dbraw/zinc/65/54/35/1085655435.db2.gz VQOAKQIXNOTVMM-QMMMGPOBSA-N 1 0 314.187 2.279 10 0 DEAERO CC[C@H]([NH2+]Cc1cn(C)nc1Br)[C@@H]1CCOC1 ZINC000720644359 1085808235 /nfs/dbraw/zinc/80/82/35/1085808235.db2.gz AHIJUOMQESSRFH-KOLCDFICSA-N 1 0 302.216 2.087 10 0 DEAERO C[C@@H]1CCC[C@@H](C[NH2+]CCS(=O)(=O)C2CCCCC2)O1 ZINC000700003529 1086300957 /nfs/dbraw/zinc/30/09/57/1086300957.db2.gz DAEPWWOVOVPISG-KGLIPLIRSA-N 1 0 303.468 2.281 10 0 DEAERO CCn1ccnc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000700737903 1086333108 /nfs/dbraw/zinc/33/31/08/1086333108.db2.gz UKPLPBZBZPNMER-QWHCGFSZSA-N 1 0 308.426 2.391 10 0 DEAERO C[C@@H]1[C@@H]([NH2+][C@H]2CCn3ccnc32)CCN1C(=O)OC(C)(C)C ZINC000700745036 1086333170 /nfs/dbraw/zinc/33/31/70/1086333170.db2.gz IIQZORDKKBCWJZ-AGIUHOORSA-N 1 0 306.410 2.315 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]Cc2ccc(CO)o2)CCN1C(=O)OC(C)(C)C ZINC000700745184 1086333780 /nfs/dbraw/zinc/33/37/80/1086333780.db2.gz MYGPCHKBISKICV-RISCZKNCSA-N 1 0 310.394 2.259 10 0 DEAERO [NH3+]C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1C(F)(F)F ZINC000700806834 1086334985 /nfs/dbraw/zinc/33/49/85/1086334985.db2.gz GXHMLXMKBJTTJG-JGVFFNPUSA-N 1 0 300.271 2.017 10 0 DEAERO Cc1nn(C)cc1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701865164 1086387607 /nfs/dbraw/zinc/38/76/07/1086387607.db2.gz PVPRBAZCPTYPCY-UHFFFAOYSA-N 1 0 320.437 2.218 10 0 DEAERO CNc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)ncn1 ZINC000702286813 1086421305 /nfs/dbraw/zinc/42/13/05/1086421305.db2.gz JTLRMIALTKZESX-QFBILLFUSA-N 1 0 323.444 2.477 10 0 DEAERO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000703877925 1086561816 /nfs/dbraw/zinc/56/18/16/1086561816.db2.gz IGHZOXROGCKJDK-UHFFFAOYSA-N 1 0 302.827 2.040 10 0 DEAERO CC1([NH3+])CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000704578084 1086586102 /nfs/dbraw/zinc/58/61/02/1086586102.db2.gz LNLLULMEAQEGSJ-IZZDOVSWSA-N 1 0 314.838 2.454 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000704696171 1086587237 /nfs/dbraw/zinc/58/72/37/1086587237.db2.gz DFDZUGXKXKWVTM-NWDGAFQWSA-N 1 0 304.362 2.235 10 0 DEAERO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1cccc(S(N)(=O)=O)c1 ZINC000704789095 1086591347 /nfs/dbraw/zinc/59/13/47/1086591347.db2.gz BEEBLIGRXJMZLW-VXGBXAGGSA-N 1 0 314.476 2.128 10 0 DEAERO Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc(F)n1 ZINC000705628995 1086619360 /nfs/dbraw/zinc/61/93/60/1086619360.db2.gz WCLHMTMQTFNHSU-IYBDPMFKSA-N 1 0 312.392 2.492 10 0 DEAERO CC1(C)CO[C@@H](C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000708331586 1086678187 /nfs/dbraw/zinc/67/81/87/1086678187.db2.gz QJCHSQCUPNWXTO-IEBWSBKVSA-N 1 0 318.461 2.028 10 0 DEAERO C[C@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000710836092 1086689219 /nfs/dbraw/zinc/68/92/19/1086689219.db2.gz IKGPSIFSUJTHTD-CQSZACIVSA-N 1 0 311.470 2.317 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000710908408 1086690307 /nfs/dbraw/zinc/69/03/07/1086690307.db2.gz WSIJTKMPZXUYCO-OLZOCXBDSA-N 1 0 314.426 2.031 10 0 DEAERO Cn1nc(Br)cc1C[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711280886 1087045803 /nfs/dbraw/zinc/04/58/03/1087045803.db2.gz JRYLDAJYGBXWQU-LLVKDONJSA-N 1 0 316.243 2.477 10 0 DEAERO CC1(C)CC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2)OC1 ZINC000711360574 1087078659 /nfs/dbraw/zinc/07/86/59/1087078659.db2.gz OKMCTYVHDCJCJQ-IAGOWNOFSA-N 1 0 307.434 2.359 10 0 DEAERO Cn1nc(Br)cc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711437386 1087104901 /nfs/dbraw/zinc/10/49/01/1087104901.db2.gz KQRIRYVDHAXYGC-NSHDSACASA-N 1 0 314.227 2.374 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H](CO)C2)C1 ZINC000711439923 1087106581 /nfs/dbraw/zinc/10/65/81/1087106581.db2.gz JXDQBQYFRGHLAH-KBXIAJHMSA-N 1 0 312.454 2.430 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711503206 1087142168 /nfs/dbraw/zinc/14/21/68/1087142168.db2.gz NCVBIPJAXKCMGF-JTQLQIEISA-N 1 0 314.227 2.374 10 0 DEAERO O=C(NCc1cnc(Cl)s1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000718165168 1088394747 /nfs/dbraw/zinc/39/47/47/1088394747.db2.gz OKOAJSBDMIENCZ-LBPRGKRZSA-N 1 0 307.806 2.300 10 0 DEAERO CO[C@]1(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCSC1 ZINC000719248103 1088912258 /nfs/dbraw/zinc/91/22/58/1088912258.db2.gz HYQAJGMLGBWOPD-DOMZBBRYSA-N 1 0 316.467 2.108 10 0 DEAERO CCN(Cc1nc(C)c(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000719251028 1088915132 /nfs/dbraw/zinc/91/51/32/1088915132.db2.gz HRHXHDRFHIWGCA-SECBINFHSA-N 1 0 304.257 2.398 10 0 DEAERO CO[C@@]1(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)CCSC1 ZINC000719326681 1088954579 /nfs/dbraw/zinc/95/45/79/1088954579.db2.gz SNXMYYHFZHNETM-ZIAGYGMSSA-N 1 0 303.374 2.110 10 0 DEAERO C[C@H]1[C@H](NC(=O)c2csc(Br)c2)CC[N@@H+]1C ZINC000719387043 1089057444 /nfs/dbraw/zinc/05/74/44/1089057444.db2.gz WGPYBEXFNPIERV-IONNQARKSA-N 1 0 303.225 2.333 10 0 DEAERO C[C@@H]1[C@@H](NC(=O)c2cc(F)ccc2Br)CC[N@@H+]1C ZINC000719384266 1089078428 /nfs/dbraw/zinc/07/84/28/1089078428.db2.gz CPDCMGVRCSDJPF-PELKAZGASA-N 1 0 315.186 2.411 10 0 DEAERO C[C@@H]1[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CCN1C ZINC000719597138 1089317854 /nfs/dbraw/zinc/31/78/54/1089317854.db2.gz DIEYEGJVDKUYIS-YXMSTPNBSA-N 1 0 323.481 2.457 10 0 DEAERO [NH3+][C@@H]1CN(C(=O)c2ccc(Cl)nc2)CC[C@H]1C(F)(F)F ZINC000717056237 1092518488 /nfs/dbraw/zinc/51/84/88/1092518488.db2.gz AVZKEEQQBDZTKX-RKDXNWHRSA-N 1 0 307.703 2.087 10 0 DEAERO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)c1nc(Cl)ccc1Cl ZINC000717152506 1093735624 /nfs/dbraw/zinc/73/56/24/1093735624.db2.gz WDARORIKXDMXFM-ZETCQYMHSA-N 1 0 324.158 2.363 10 0 DEAERO C[NH+](C)CC[C@H](NC(=O)[C@@H]1CCCn2ccnc21)C(C)(C)C ZINC000081764489 192321510 /nfs/dbraw/zinc/32/15/10/192321510.db2.gz PADQUUXSZUEPPT-KGLIPLIRSA-N 1 0 306.454 2.243 10 0 DEAERO CCOc1cccc(CCNC(=O)N[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000136522382 282087775 /nfs/dbraw/zinc/08/77/75/282087775.db2.gz VMFNNLDAFLTHBW-MRXNPFEDSA-N 1 0 319.449 2.411 10 0 DEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194111664 282101946 /nfs/dbraw/zinc/10/19/46/282101946.db2.gz ZZDWNYZLTYTCLZ-LXTVHRRPSA-N 1 0 302.422 2.359 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cc(F)cc(Cl)c2)CCO1 ZINC000181239756 199269798 /nfs/dbraw/zinc/26/97/98/199269798.db2.gz HXLABUAENSYFNY-ZDUSSCGKSA-N 1 0 315.776 2.273 10 0 DEAERO COC(=O)CCSC[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081788891 192324092 /nfs/dbraw/zinc/32/40/92/192324092.db2.gz PVTROVGMLSHICY-LBPRGKRZSA-N 1 0 311.403 2.144 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nnc(C)o1)OCCO2 ZINC000081877542 192333038 /nfs/dbraw/zinc/33/30/38/192333038.db2.gz CAWGWYZXPVOUFT-NEPJUHHUSA-N 1 0 313.423 2.134 10 0 DEAERO CCCn1c(SC[C@H]([NH3+])c2ccc(C)cc2C)n[nH]c1=O ZINC000081879053 192333348 /nfs/dbraw/zinc/33/33/48/192333348.db2.gz QXRBSQVONCWVLR-ZDUSSCGKSA-N 1 0 306.435 2.390 10 0 DEAERO COc1ccc2c(c1)CC[C@@H](Sc1nnc(C)n1C)[C@@H]2[NH3+] ZINC000081886137 192333990 /nfs/dbraw/zinc/33/39/90/192333990.db2.gz PCWTZLGWYXRNGI-ZIAGYGMSSA-N 1 0 304.419 2.239 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1Sc1nncs1)OCCO2 ZINC000081881947 192334099 /nfs/dbraw/zinc/33/40/99/192334099.db2.gz ZFGTWWLWKLSKQA-WDEREUQCSA-N 1 0 315.464 2.294 10 0 DEAERO [NH3+][C@H](CSc1ccncn1)c1ccc2c(c1)OCCCO2 ZINC000081886661 192334698 /nfs/dbraw/zinc/33/46/98/192334698.db2.gz LYABJRQKXKSIED-GFCCVEGCSA-N 1 0 303.387 2.430 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)C2=COCCC2)c2ccccc2O1 ZINC000372783084 282122546 /nfs/dbraw/zinc/12/25/46/282122546.db2.gz HGHKSRWWWRJMHW-CQSZACIVSA-N 1 0 302.374 2.037 10 0 DEAERO CCC[C@H]1CCN(S(=O)(=O)c2ccc(CC[NH2+]C)s2)C1 ZINC000163647610 197643749 /nfs/dbraw/zinc/64/37/49/197643749.db2.gz PPPWUHLHVYLSBD-LBPRGKRZSA-N 1 0 316.492 2.321 10 0 DEAERO C[NH2+]C[C@@H]1CC[C@@H]1c1c(Br)cnn1CCOC ZINC000163717092 197645845 /nfs/dbraw/zinc/64/58/45/197645845.db2.gz KFJYRIGKNKKVDG-UWVGGRQHSA-N 1 0 302.216 2.005 10 0 DEAERO C[NH2+]C[C@@H]1CC[C@H]1c1c(Br)cnn1CCOC ZINC000163717317 197646041 /nfs/dbraw/zinc/64/60/41/197646041.db2.gz KFJYRIGKNKKVDG-VHSXEESVSA-N 1 0 302.216 2.005 10 0 DEAERO CC[NH2+]CC[C@@](C)(O)c1c(Br)cnn1C(C)C ZINC000163480571 197633655 /nfs/dbraw/zinc/63/36/55/197633655.db2.gz UHABAMLHNBRNHE-GFCCVEGCSA-N 1 0 304.232 2.434 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1 ZINC000134365495 282136405 /nfs/dbraw/zinc/13/64/05/282136405.db2.gz KDCZVUCYEZBYEP-KRWDZBQOSA-N 1 0 316.445 2.188 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1S(=O)(=O)c1ccccc1Br ZINC000081932215 192341580 /nfs/dbraw/zinc/34/15/80/192341580.db2.gz ZRJMOIDTZCOAHG-GXSJLCMTSA-N 1 0 304.209 2.103 10 0 DEAERO CC[C@H](C)S(=O)(=O)[C@@H]1CCc2cc(OC)ccc2[C@@H]1[NH2+]C ZINC000081936455 192342164 /nfs/dbraw/zinc/34/21/64/192342164.db2.gz YFPIYLUVTNVIMT-XZJROXQQSA-N 1 0 311.447 2.484 10 0 DEAERO CCC[C@H]([NH3+])[C@@H](CC)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000081935473 192343500 /nfs/dbraw/zinc/34/35/00/192343500.db2.gz ZAZNDKOFLTVCRH-SWLSCSKDSA-N 1 0 313.419 2.138 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152884907 282156608 /nfs/dbraw/zinc/15/66/08/282156608.db2.gz QDLGMTODPDKFQL-INIZCTEOSA-N 1 0 315.417 2.230 10 0 DEAERO CCC[C@@H](CC[NH3+])CCC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000079237526 185162132 /nfs/dbraw/zinc/16/21/32/185162132.db2.gz YWVOJMLGCIFECX-KGLIPLIRSA-N 1 0 300.443 2.236 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CCOc1ccccc1 ZINC000079254146 185162540 /nfs/dbraw/zinc/16/25/40/185162540.db2.gz TUVBJYSHCBOIGL-HNNXBMFYSA-N 1 0 307.438 2.437 10 0 DEAERO NC(=O)[C@@](CSc1ccc(Cl)cn1)([NH2+]C1CC1)C1CC1 ZINC000079447826 185172114 /nfs/dbraw/zinc/17/21/14/185172114.db2.gz XVUCINRFZXUOFT-AWEZNQCLSA-N 1 0 311.838 2.213 10 0 DEAERO NC(=O)[C@](CSc1ncccc1Cl)([NH2+]C1CC1)C1CC1 ZINC000079448603 185172159 /nfs/dbraw/zinc/17/21/59/185172159.db2.gz FFTJBWHKFZIBKY-CQSZACIVSA-N 1 0 311.838 2.213 10 0 DEAERO CC(C)[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000079358344 185166997 /nfs/dbraw/zinc/16/69/97/185166997.db2.gz ZZNRFYRIMJMFFG-CABCVRRESA-N 1 0 302.484 2.074 10 0 DEAERO CC(C)[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000079382409 185167808 /nfs/dbraw/zinc/16/78/08/185167808.db2.gz XNLHFSFMYGAMDE-CABCVRRESA-N 1 0 302.484 2.216 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000079527371 185173908 /nfs/dbraw/zinc/17/39/08/185173908.db2.gz YTESPQWANLFEQF-CQSZACIVSA-N 1 0 305.422 2.473 10 0 DEAERO COc1cc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)ccc1F ZINC000153152944 282162606 /nfs/dbraw/zinc/16/26/06/282162606.db2.gz NTFNOGGGCGRCPP-ZFWWWQNUSA-N 1 0 310.413 2.332 10 0 DEAERO CC[C@H]1C[N@H+](CCC(=O)NC2CCCC2)CCN1CC(F)F ZINC000153378240 282169010 /nfs/dbraw/zinc/16/90/10/282169010.db2.gz MJTXWNYZLSWPMY-AWEZNQCLSA-N 1 0 317.424 2.097 10 0 DEAERO CC(C)[NH2+][C@H](CO)CSc1ccc(Br)cn1 ZINC000082905388 185209582 /nfs/dbraw/zinc/20/95/82/185209582.db2.gz LJSYWFHNQGBXJR-SNVBAGLBSA-N 1 0 305.241 2.295 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1cc(Br)cs1 ZINC000082922082 185209644 /nfs/dbraw/zinc/20/96/44/185209644.db2.gz YELNDWNEOKFRLM-UWVGGRQHSA-N 1 0 303.225 2.254 10 0 DEAERO COc1ccc(OC)c([C@@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170826751 282180697 /nfs/dbraw/zinc/18/06/97/282180697.db2.gz VCMGRPNZBSMJFR-CHWSQXEVSA-N 1 0 321.421 2.110 10 0 DEAERO CC(C)c1nnsc1C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000087442886 185225116 /nfs/dbraw/zinc/22/51/16/185225116.db2.gz HRIWDRXUZNFAAA-RYUDHWBXSA-N 1 0 308.451 2.408 10 0 DEAERO CC(C)c1cccc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000173150141 282187172 /nfs/dbraw/zinc/18/71/72/282187172.db2.gz CGLAHFMEFVIOIR-AWEZNQCLSA-N 1 0 310.463 2.382 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000087519333 185227483 /nfs/dbraw/zinc/22/74/83/185227483.db2.gz RTOKYQYJVFZJBK-SNVBAGLBSA-N 1 0 311.813 2.355 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000087517698 185227528 /nfs/dbraw/zinc/22/75/28/185227528.db2.gz OKFQGSWQIUFYOC-JTQLQIEISA-N 1 0 307.785 2.234 10 0 DEAERO CC(C)[C@H](C[NH3+])C(=O)NCc1cc(Br)ccc1F ZINC000087533019 185227876 /nfs/dbraw/zinc/22/78/76/185227876.db2.gz OQVNWEBSDCEJHQ-NSHDSACASA-N 1 0 317.202 2.435 10 0 DEAERO CNC(=O)Cc1nc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cs1 ZINC000173205200 282188988 /nfs/dbraw/zinc/18/89/88/282188988.db2.gz MREYPGNIYRCXKN-AWEZNQCLSA-N 1 0 315.442 2.421 10 0 DEAERO CCS(=O)(=O)c1ccc(NC(=O)C(C)(C)C(C)(C)[NH3+])cc1 ZINC000087627529 185229649 /nfs/dbraw/zinc/22/96/49/185229649.db2.gz JMNUSVCIWHYUES-UHFFFAOYSA-N 1 0 312.435 2.182 10 0 DEAERO CC1(C)CCCN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)CC1 ZINC000087657291 185229786 /nfs/dbraw/zinc/22/97/86/185229786.db2.gz AIODTZCEPHMFDM-UHFFFAOYSA-N 1 0 314.426 2.485 10 0 DEAERO CCC(CC)n1ccc(CSc2nnc(C)n2CC[NH3+])n1 ZINC000087711520 185230988 /nfs/dbraw/zinc/23/09/88/185230988.db2.gz JRDKUESVLPNEAO-UHFFFAOYSA-N 1 0 308.455 2.395 10 0 DEAERO COC(=O)CS(=O)(=O)[C@@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000081976046 192347656 /nfs/dbraw/zinc/34/76/56/192347656.db2.gz OQMXAQCYJXOAEZ-UONOGXRCSA-N 1 0 319.467 2.185 10 0 DEAERO NNc1nc(Oc2cncc(Cl)c2)c(Br)c[nH+]1 ZINC000087891138 185234649 /nfs/dbraw/zinc/23/46/49/185234649.db2.gz QEGPEUUHLZTUFV-UHFFFAOYSA-N 1 0 316.546 2.365 10 0 DEAERO COc1ccc(C[S@@](=O)CCC[NH3+])cc1Br ZINC000088066784 185238723 /nfs/dbraw/zinc/23/87/23/185238723.db2.gz UHMRPKNONSENTQ-MRXNPFEDSA-N 1 0 306.225 2.055 10 0 DEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1ccc(Br)c(F)c1 ZINC000088085370 185239082 /nfs/dbraw/zinc/23/90/82/185239082.db2.gz VIGKQXSTRSBOFE-GFCCVEGCSA-N 1 0 313.170 2.446 10 0 DEAERO Cc1noc(Cn2c(N)[nH+]c3ccc(Br)cc32)n1 ZINC000087837344 185233075 /nfs/dbraw/zinc/23/30/75/185233075.db2.gz TVYXKSBYEZCHMM-UHFFFAOYSA-N 1 0 308.139 2.121 10 0 DEAERO C[C@H]1CCC[C@H](Oc2nc(NN)[nH+]cc2Br)C1 ZINC000087877375 185234028 /nfs/dbraw/zinc/23/40/28/185234028.db2.gz PYPXKTWAFUEDHV-YUMQZZPRSA-N 1 0 301.188 2.482 10 0 DEAERO CN(c1cccc(F)c1)c1nc(NN)[nH+]cc1Br ZINC000087868842 185234201 /nfs/dbraw/zinc/23/42/01/185234201.db2.gz SDDICIXTSDFTMZ-UHFFFAOYSA-N 1 0 312.146 2.432 10 0 DEAERO CC[NH2+]Cc1nnnn1-c1c(C)cc(Br)cc1C ZINC000088172785 185241088 /nfs/dbraw/zinc/24/10/88/185241088.db2.gz CXXFXGPSUXFEDJ-UHFFFAOYSA-N 1 0 310.199 2.151 10 0 DEAERO COC(=O)CCN(CC(C)C)C(=O)C[C@H](C[NH3+])CC(C)C ZINC000088277339 185244563 /nfs/dbraw/zinc/24/45/63/185244563.db2.gz TYSYKNCYBQERBD-CQSZACIVSA-N 1 0 300.443 2.045 10 0 DEAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000088276704 185244670 /nfs/dbraw/zinc/24/46/70/185244670.db2.gz HCNYSVFVQRXWEM-SNVBAGLBSA-N 1 0 311.813 2.389 10 0 DEAERO C[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000088312118 185245315 /nfs/dbraw/zinc/24/53/15/185245315.db2.gz FWONNEGZAKHQRP-NEPJUHHUSA-N 1 0 324.229 2.144 10 0 DEAERO CC[NH2+]CCC(=O)Nc1ccc(OC)c(Br)c1 ZINC000088321561 185245616 /nfs/dbraw/zinc/24/56/16/185245616.db2.gz CGJHHDKZAXRSNM-UHFFFAOYSA-N 1 0 301.184 2.396 10 0 DEAERO Nc1ccc(SC[C@H](O)[C@H]([NH3+])Cc2ccccc2)c(F)c1 ZINC000088398465 185248592 /nfs/dbraw/zinc/24/85/92/185248592.db2.gz YOFYRLABYJYNPL-CABCVRRESA-N 1 0 306.406 2.431 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1C[NH3+])N(C)CCC(F)(F)F ZINC000088417636 185249239 /nfs/dbraw/zinc/24/92/39/185249239.db2.gz GXLMTEVNDLYPMJ-JTQLQIEISA-N 1 0 303.328 2.357 10 0 DEAERO COC(=O)[C@@H](CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)NC(C)C ZINC000088435105 185249991 /nfs/dbraw/zinc/24/99/91/185249991.db2.gz OBBJXQOHVNYLDX-NWDGAFQWSA-N 1 0 310.360 2.190 10 0 DEAERO CCOC(=O)[C@](C)(N)CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088435287 185250457 /nfs/dbraw/zinc/25/04/57/185250457.db2.gz HTULHEIHQIXLOT-WCQYABFASA-N 1 0 310.360 2.321 10 0 DEAERO C[NH2+][C@](C)(CCCC[NH+]1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000088435635 185250582 /nfs/dbraw/zinc/25/05/82/185250582.db2.gz DVQGXNKLVJDNCH-CYBMUJFWSA-N 1 0 310.360 2.494 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NC[C@H](C)CSC)o1 ZINC000088551138 185257373 /nfs/dbraw/zinc/25/73/73/185257373.db2.gz HWFGTCVOSFBORD-NSHDSACASA-N 1 0 320.480 2.057 10 0 DEAERO C[C@@H]1CCCCC[C@H]1NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000088516014 185254509 /nfs/dbraw/zinc/25/45/09/185254509.db2.gz DJKKRIPAYXBIJQ-UKRRQHHQSA-N 1 0 302.484 2.264 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2C)o1 ZINC000088541010 185255961 /nfs/dbraw/zinc/25/59/61/185255961.db2.gz DOTPCDUUJKIKJJ-AAEUAGOBSA-N 1 0 300.424 2.246 10 0 DEAERO CC(C)C[NH2+]Cc1ccc(S(=O)(=O)NCC(C)(C)C)o1 ZINC000088542822 185256468 /nfs/dbraw/zinc/25/64/68/185256468.db2.gz DBJMILONAHGRLL-UHFFFAOYSA-N 1 0 302.440 2.350 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2C)o1 ZINC000088544327 185256730 /nfs/dbraw/zinc/25/67/30/185256730.db2.gz JZCPXINNXLNCFC-WCQYABFASA-N 1 0 300.424 2.198 10 0 DEAERO CCCn1ncnc1COc1c(Cl)cc(C[NH3+])cc1OC ZINC000088585362 185258363 /nfs/dbraw/zinc/25/83/63/185258363.db2.gz MYHQMVSNBFWFTB-UHFFFAOYSA-N 1 0 310.785 2.388 10 0 DEAERO CCn1ncnc1C[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000088607013 185259896 /nfs/dbraw/zinc/25/98/96/185259896.db2.gz YHXACCGGLSKWAE-ZDUSSCGKSA-N 1 0 309.211 2.477 10 0 DEAERO CCn1ncnc1C[C@H](Cc1ccccc1Br)[NH2+]C ZINC000088611952 185259923 /nfs/dbraw/zinc/25/99/23/185259923.db2.gz IBWJCQCJNLFIFJ-LBPRGKRZSA-N 1 0 323.238 2.434 10 0 DEAERO O=S(=O)(N[C@@H]1CC=CCC1)c1ccc(C[NH2+]C2CC2)cc1 ZINC000088749075 185263945 /nfs/dbraw/zinc/26/39/45/185263945.db2.gz ZUOPMIOMPNAZHQ-OAHLLOKOSA-N 1 0 306.431 2.326 10 0 DEAERO CC(C)[C@H]([C@@H]([NH3+])c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000081989584 192350275 /nfs/dbraw/zinc/35/02/75/192350275.db2.gz SHACDKGKWZNSKO-JKSUJKDBSA-N 1 0 311.447 2.305 10 0 DEAERO Cc1noc2nc(C)cc(C(=O)N(C)[C@@H]3C[NH+]4CCC3CC4)c12 ZINC000329373482 231513256 /nfs/dbraw/zinc/51/32/56/231513256.db2.gz NAMAXFMXQOPUTG-CQSZACIVSA-N 1 0 314.389 2.006 10 0 DEAERO COc1ccccc1S(=O)(=O)C[C@H]([NH3+])c1ccccc1C ZINC000081987655 192351274 /nfs/dbraw/zinc/35/12/74/192351274.db2.gz FKQNNNNKPMRJAL-AWEZNQCLSA-N 1 0 305.399 2.477 10 0 DEAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CCCCC1 ZINC000178313164 282217123 /nfs/dbraw/zinc/21/71/23/282217123.db2.gz UHAWTSXAGMHJCK-QGZVFWFLSA-N 1 0 318.465 2.447 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)CO)c1cc2cc(Br)ccc2o1 ZINC000090282334 185289221 /nfs/dbraw/zinc/28/92/21/185289221.db2.gz VQJDSDMXTQQEBU-KCJUWKMLSA-N 1 0 314.179 2.199 10 0 DEAERO COC[C@@](C)(CO)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000613238247 362052552 /nfs/dbraw/zinc/05/25/52/362052552.db2.gz FWNXPUSBCACCGV-QGZVFWFLSA-N 1 0 309.406 2.129 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc2c(c1)OCCCO2 ZINC000179257171 282220759 /nfs/dbraw/zinc/22/07/59/282220759.db2.gz CLJPGJVSPPBIRF-STQMWFEESA-N 1 0 304.390 2.013 10 0 DEAERO Cc1c(Cl)cccc1NC(=O)CN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000090326826 185291225 /nfs/dbraw/zinc/29/12/25/185291225.db2.gz NJVNFLWAOPVNRS-RWMBFGLXSA-N 1 0 307.825 2.127 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Br)o1 ZINC000090331054 185291269 /nfs/dbraw/zinc/29/12/69/185291269.db2.gz ZECFGEGNDKSGFW-OPRDCNLKSA-N 1 0 313.195 2.112 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(Cl)s1 ZINC000090336860 185291779 /nfs/dbraw/zinc/29/17/79/185291779.db2.gz OBKKVOMMMARCDA-BDAKNGLRSA-N 1 0 320.867 2.020 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1ccccc1Cl ZINC000090338158 185291827 /nfs/dbraw/zinc/29/18/27/185291827.db2.gz CELHLBOLUPESII-NEPJUHHUSA-N 1 0 307.825 2.208 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)c1ccc(Cl)s1 ZINC000090336859 185291867 /nfs/dbraw/zinc/29/18/67/185291867.db2.gz OBKKVOMMMARCDA-RKDXNWHRSA-N 1 0 320.867 2.020 10 0 DEAERO CCCSc1nsc(NC(=O)CSC[C@@H]([NH3+])CC)n1 ZINC000090356819 185292447 /nfs/dbraw/zinc/29/24/47/185292447.db2.gz SLBASCVNZXNGJG-QMMMGPOBSA-N 1 0 320.509 2.449 10 0 DEAERO CCC[NH2+][C@H]1CCCCCC[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000082009980 192354020 /nfs/dbraw/zinc/35/40/20/192354020.db2.gz LKVQJWNCTJGNTF-KBPBESRZSA-N 1 0 319.467 2.055 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000090487827 185298811 /nfs/dbraw/zinc/29/88/11/185298811.db2.gz ZLFSSUYBTKJERQ-VXGBXAGGSA-N 1 0 313.195 2.012 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc2nc(C)sc2c1 ZINC000090489170 185298836 /nfs/dbraw/zinc/29/88/36/185298836.db2.gz VMQMWKZNPQKVNC-WCQYABFASA-N 1 0 305.403 2.168 10 0 DEAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000090378786 185293599 /nfs/dbraw/zinc/29/35/99/185293599.db2.gz NWRLQVUZIALKKI-APPZFPTMSA-N 1 0 308.687 2.271 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1c1nc(Cc2c(F)cccc2Cl)no1 ZINC000090423967 185295729 /nfs/dbraw/zinc/29/57/29/185295729.db2.gz PLTGEBPKYZERTP-SKDRFNHKSA-N 1 0 311.744 2.155 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1c1nc(Cc2c(F)cccc2Cl)no1 ZINC000090423963 185295749 /nfs/dbraw/zinc/29/57/49/185295749.db2.gz PLTGEBPKYZERTP-CABZTGNLSA-N 1 0 311.744 2.155 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000090433442 185296176 /nfs/dbraw/zinc/29/61/76/185296176.db2.gz OELSYOSZDXZJAE-GHMZBOCLSA-N 1 0 320.336 2.471 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090590612 185305503 /nfs/dbraw/zinc/30/55/03/185305503.db2.gz KLXXUPLFZAKYQO-GXFFZTMASA-N 1 0 302.827 2.114 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cccc(Cl)c1F ZINC000090539631 185301744 /nfs/dbraw/zinc/30/17/44/185301744.db2.gz WJJFLTDXFNXHME-JOYOIKCWSA-N 1 0 300.761 2.432 10 0 DEAERO C[C@]1(c2nc(-c3ccc(Br)cc3)no2)COC[C@H]1[NH3+] ZINC000090573322 185304330 /nfs/dbraw/zinc/30/43/30/185304330.db2.gz GSDMEUJYBQNVKN-MFKMUULPSA-N 1 0 324.178 2.114 10 0 DEAERO COC(=O)C1CCC(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000179480400 282226354 /nfs/dbraw/zinc/22/63/54/282226354.db2.gz LDWLIFVWWBAHSQ-NRXISQOPSA-N 1 0 312.454 2.058 10 0 DEAERO O=C(c1cc(Cl)cc(Br)c1)N1CC[NH2+]CC1 ZINC000181344343 199283068 /nfs/dbraw/zinc/28/30/68/199283068.db2.gz WOVZIYBRWCJOSH-UHFFFAOYSA-N 1 0 303.587 2.148 10 0 DEAERO COc1ccc(C(=O)N2CCCSC[C@@H]2C[NH+](C)C)cc1 ZINC000090699821 185310643 /nfs/dbraw/zinc/31/06/43/185310643.db2.gz WGOUTKKINDBPSN-AWEZNQCLSA-N 1 0 308.447 2.205 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccnc(Cl)c1 ZINC000090622655 185307166 /nfs/dbraw/zinc/30/71/66/185307166.db2.gz NUBCVKVQYMNVME-BSWNYTGASA-N 1 0 305.809 2.443 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](S(=O)(=O)C1CCCC1)CC2 ZINC000092388732 185315183 /nfs/dbraw/zinc/31/51/83/185315183.db2.gz OXJIMHDQMKMLCH-HOTGVXAUSA-N 1 0 309.431 2.367 10 0 DEAERO C[NH2+]C[C@@H](C)C(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000237174282 290672199 /nfs/dbraw/zinc/67/21/99/290672199.db2.gz AKDMQGHDJVZDRW-KGLIPLIRSA-N 1 0 323.868 2.401 10 0 DEAERO CC[NH+](CC)CCn1c(N)nc2cc(Br)cnc21 ZINC000092575137 185326813 /nfs/dbraw/zinc/32/68/13/185326813.db2.gz CWDKJLDZCIIXJK-UHFFFAOYSA-N 1 0 312.215 2.118 10 0 DEAERO CCC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)CCC ZINC000092859189 185346909 /nfs/dbraw/zinc/34/69/09/185346909.db2.gz FUWYQYMBAPHRPR-JKSUJKDBSA-N 1 0 311.447 2.485 10 0 DEAERO COCC[C@@H](C)[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000181390533 199288677 /nfs/dbraw/zinc/28/86/77/199288677.db2.gz WJZITYMBTYEFID-MFKMUULPSA-N 1 0 302.212 2.497 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2ccc3c(c2)COC(C)(C)O3)CCO1 ZINC000186248660 282270634 /nfs/dbraw/zinc/27/06/34/282270634.db2.gz PQCUOZMETGTDJQ-INIZCTEOSA-N 1 0 320.433 2.094 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092955863 185350354 /nfs/dbraw/zinc/35/03/54/185350354.db2.gz MVLKNWLJWXRRIG-MWLCHTKSSA-N 1 0 310.419 2.424 10 0 DEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000092951638 185350371 /nfs/dbraw/zinc/35/03/71/185350371.db2.gz BQFYHOGHMUTITN-QWRGUYRKSA-N 1 0 304.781 2.462 10 0 DEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000092954778 185350413 /nfs/dbraw/zinc/35/04/13/185350413.db2.gz IWRRXBVZENERPN-CQDKDKBSSA-N 1 0 308.809 2.238 10 0 DEAERO CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC(C)(C)O2)CC1 ZINC000186265429 282270999 /nfs/dbraw/zinc/27/09/99/282270999.db2.gz HVGRZZNTNKWTHL-OAHLLOKOSA-N 1 0 311.470 2.364 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2CC)C12CCOCC2 ZINC000186393212 282274626 /nfs/dbraw/zinc/27/46/26/282274626.db2.gz CUWUZABGGAXQKK-HOTGVXAUSA-N 1 0 307.438 2.046 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)OCc3ccccc3)C2)cn1 ZINC000181460453 199299686 /nfs/dbraw/zinc/29/96/86/199299686.db2.gz HZIMCUFEYUCJFI-MRXNPFEDSA-N 1 0 313.401 2.343 10 0 DEAERO COC(=O)CNC(=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000181497599 199307180 /nfs/dbraw/zinc/30/71/80/199307180.db2.gz REJWFIWOPKNZFK-CYBMUJFWSA-N 1 0 314.385 2.170 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000049044824 539339140 /nfs/dbraw/zinc/33/91/40/539339140.db2.gz TVLSKHHCNDWXRR-LLVKDONJSA-N 1 0 314.476 2.264 10 0 DEAERO C[NH2+][C@H](C[C@H]1CCS(=O)(=O)C1)c1occc1Br ZINC000097193452 185419518 /nfs/dbraw/zinc/41/95/18/185419518.db2.gz NYLNQCSRVMTKQE-PSASIEDQSA-N 1 0 322.224 2.127 10 0 DEAERO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000183135133 199543018 /nfs/dbraw/zinc/54/30/18/199543018.db2.gz HCFFYYXFCFLTTF-VIFPVBQESA-N 1 0 323.245 2.271 10 0 DEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N[C@H](C)Cc2ccco2)cc1 ZINC000049147361 190678072 /nfs/dbraw/zinc/67/80/72/190678072.db2.gz RCVAQKXVJHMGLP-VXGBXAGGSA-N 1 0 308.403 2.209 10 0 DEAERO O[C@@H](C[NH2+]CC1CC(O)C1)COc1ccc(Cl)c(Cl)c1 ZINC000091525003 539419703 /nfs/dbraw/zinc/41/97/03/539419703.db2.gz QWJJXVLZJDISLQ-ILDUYXDCSA-N 1 0 320.216 2.094 10 0 DEAERO Brc1cccc(Cn2cc(C[NH2+]C3CC3)nn2)c1 ZINC000090297843 539415920 /nfs/dbraw/zinc/41/59/20/539415920.db2.gz QYQUVXNOPQVENW-UHFFFAOYSA-N 1 0 307.195 2.341 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@@H]1CC ZINC000245418276 282385992 /nfs/dbraw/zinc/38/59/92/282385992.db2.gz AQLXWNAVKRYEGJ-MWDXBVQZSA-N 1 0 308.466 2.382 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)c2cccnc2)C[C@@H]1CC ZINC000245421242 282386449 /nfs/dbraw/zinc/38/64/49/282386449.db2.gz CMPCIEJWRWTCAN-WBVHZDCISA-N 1 0 319.449 2.144 10 0 DEAERO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CCCC[C@@H]1CC ZINC000245429641 282387270 /nfs/dbraw/zinc/38/72/70/282387270.db2.gz NFHDHKBGPIMNMX-BBWFWOEESA-N 1 0 307.482 2.336 10 0 DEAERO c1ccc(NC[C@H]2CC[N@@H+](CCO[C@@H]3CCCCO3)C2)nc1 ZINC000181712678 199343115 /nfs/dbraw/zinc/34/31/15/199343115.db2.gz ASCRIVCOWMTXMB-NVXWUHKLSA-N 1 0 305.422 2.359 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1ccccc1C ZINC000245444703 282388941 /nfs/dbraw/zinc/38/89/41/282388941.db2.gz YHTCLPIPKQZECK-ROUUACIJSA-N 1 0 315.461 2.170 10 0 DEAERO O=C(NCc1cscn1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000108942447 185541978 /nfs/dbraw/zinc/54/19/78/185541978.db2.gz KUJADCBKVOEBFF-UHFFFAOYSA-N 1 0 301.415 2.081 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N(CC[NH3+])C1CCCCC1 ZINC000111372213 185588948 /nfs/dbraw/zinc/58/89/48/185588948.db2.gz RFDFFRBQYJWQSC-UHFFFAOYSA-N 1 0 314.426 2.416 10 0 DEAERO COCCN(c1cccc(Cl)c1CC[NH3+])[C@@H](C)COC ZINC000111485700 185608466 /nfs/dbraw/zinc/60/84/66/185608466.db2.gz IUVBSSOMGACEOZ-LBPRGKRZSA-N 1 0 300.830 2.329 10 0 DEAERO CC[C@H]([NH3+])Cc1c(N2CCC(OC)CC2)nc2sccn12 ZINC000111492427 185608557 /nfs/dbraw/zinc/60/85/57/185608557.db2.gz LHUCPRJIVOSAIL-NSHDSACASA-N 1 0 308.451 2.291 10 0 DEAERO COCCN(C)c1cc(Br)ccc1C[C@H](C)[NH3+] ZINC000111509589 185609953 /nfs/dbraw/zinc/60/99/53/185609953.db2.gz DGMYJLUFSIFMTC-JTQLQIEISA-N 1 0 301.228 2.421 10 0 DEAERO O=C1CC[C@H](C[NH2+]Cc2ccc(Br)cc2Cl)N1 ZINC000135189159 539513735 /nfs/dbraw/zinc/51/37/35/539513735.db2.gz WIIIFPSWXCGZNH-SNVBAGLBSA-N 1 0 317.614 2.471 10 0 DEAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000246408677 282441630 /nfs/dbraw/zinc/44/16/30/282441630.db2.gz MHZWIWMNKFUDEC-RBSFLKMASA-N 1 0 316.511 2.462 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)NC[C@@H](C)[NH+](CC)CC)C12CCC2 ZINC000246465087 282445375 /nfs/dbraw/zinc/44/53/75/282445375.db2.gz VECYXAQBXLLBBK-QLFBSQMISA-N 1 0 311.470 2.364 10 0 DEAERO CCC[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000111719433 185630857 /nfs/dbraw/zinc/63/08/57/185630857.db2.gz SWNRECIUBSOVBP-ZDUSSCGKSA-N 1 0 314.426 2.226 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000111793261 185637543 /nfs/dbraw/zinc/63/75/43/185637543.db2.gz AOYFGVUGLZCMGF-MRXNPFEDSA-N 1 0 321.469 2.270 10 0 DEAERO COC(=O)CC1(CC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CCCC1 ZINC000615931418 362733920 /nfs/dbraw/zinc/73/39/20/362733920.db2.gz SMVZQOFVGLZOJM-OAHLLOKOSA-N 1 0 324.465 2.489 10 0 DEAERO C[C@H]([NH2+]Cc1nccn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279659960 215040743 /nfs/dbraw/zinc/04/07/43/215040743.db2.gz DBGYAVRWKHUZAG-STQMWFEESA-N 1 0 308.426 2.155 10 0 DEAERO CC(C)(C)[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000279680075 215057386 /nfs/dbraw/zinc/05/73/86/215057386.db2.gz FGACSDIHJIGCCN-IRXDYDNUSA-N 1 0 307.434 2.311 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000070153393 190863253 /nfs/dbraw/zinc/86/32/53/190863253.db2.gz PQIFUHFRSQGCGT-DGCLKSJQSA-N 1 0 300.399 2.025 10 0 DEAERO CC[NH2+]C[C@](C)(C[C@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000126918220 185903649 /nfs/dbraw/zinc/90/36/49/185903649.db2.gz ISFNXIPRELTLRX-HIFRSBDPSA-N 1 0 302.484 2.074 10 0 DEAERO CCCN1C(=O)[C@]2(CCC[NH2+]C2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000616578310 362893763 /nfs/dbraw/zinc/89/37/63/362893763.db2.gz LNDNLFKCFOFWAN-SOLBZPMBSA-N 1 0 302.418 2.101 10 0 DEAERO [NH3+]CCN1CC[C@H](S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000616675753 362907244 /nfs/dbraw/zinc/90/72/44/362907244.db2.gz QDLRNEWDKDBFKD-KRWDZBQOSA-N 1 0 316.426 2.370 10 0 DEAERO CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000616692358 362911517 /nfs/dbraw/zinc/91/15/17/362911517.db2.gz OHGMEMUMENXUOJ-HNNXBMFYSA-N 1 0 305.422 2.069 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cnn(CC2CC2)c1 ZINC000176382494 539626700 /nfs/dbraw/zinc/62/67/00/539626700.db2.gz NIRJEOFMCWQKFN-OAHLLOKOSA-N 1 0 305.426 2.241 10 0 DEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N1Cc2ccccc2C1 ZINC000070431156 190890900 /nfs/dbraw/zinc/89/09/00/190890900.db2.gz ZGWVOSSVZJJYNV-UHFFFAOYSA-N 1 0 302.399 2.158 10 0 DEAERO C[C@@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccoc1 ZINC000177918738 539633099 /nfs/dbraw/zinc/63/30/99/539633099.db2.gz YUTJNISXIXGEJF-KDOFPFPSSA-N 1 0 300.402 2.349 10 0 DEAERO CCOc1ccc(-c2cc3c(N4CC[NH2+]CC4)nccn3n2)cc1 ZINC000070459148 190898221 /nfs/dbraw/zinc/89/82/21/190898221.db2.gz ZQASGTGPACUKFM-UHFFFAOYSA-N 1 0 323.400 2.205 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)cc1OC ZINC000180881696 539647226 /nfs/dbraw/zinc/64/72/26/539647226.db2.gz MSBAIZXMCKCYNW-NEPJUHHUSA-N 1 0 315.435 2.035 10 0 DEAERO CC(=O)NC[C@@H]1CCC[N@@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000181662570 539652539 /nfs/dbraw/zinc/65/25/39/539652539.db2.gz WNJDWCNHEYVUKA-KRWDZBQOSA-N 1 0 321.440 2.106 10 0 DEAERO C[N@H+](CCN1CC(=O)N[C@H]2CCCC[C@@H]21)Cc1ccc(F)cc1 ZINC000181742861 539653419 /nfs/dbraw/zinc/65/34/19/539653419.db2.gz BGYTUROCQLDYNR-IRXDYDNUSA-N 1 0 319.424 2.001 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(-n4cccc4)c(F)c3)C[C@@H]12 ZINC000186886660 539677203 /nfs/dbraw/zinc/67/72/03/539677203.db2.gz VNIFWVUXNFTRGZ-SQWLQELKSA-N 1 0 313.376 2.426 10 0 DEAERO C[NH2+][C@H](c1sc(C)cc1Br)[C@H]1COCCO1 ZINC000083678380 192378502 /nfs/dbraw/zinc/37/85/02/192378502.db2.gz ZRCSAXKMQLGOEB-ZJUUUORDSA-N 1 0 306.225 2.495 10 0 DEAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2cncnc2)C1 ZINC000190457905 539694821 /nfs/dbraw/zinc/69/48/21/539694821.db2.gz XMRXODMWJPXVHY-CQSZACIVSA-N 1 0 317.462 2.195 10 0 DEAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2cncnc2)C1 ZINC000190457885 539695001 /nfs/dbraw/zinc/69/50/01/539695001.db2.gz XMRXODMWJPXVHY-AWEZNQCLSA-N 1 0 317.462 2.195 10 0 DEAERO C[C@@H](Cc1cccs1)NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000071272300 190950461 /nfs/dbraw/zinc/95/04/61/190950461.db2.gz PKRQHDNVSBJIHC-STQMWFEESA-N 1 0 316.492 2.131 10 0 DEAERO COc1cc(NC(=O)N2CC[NH+]3CCC2CC3)cc(OC)c1 ZINC000190888033 539697609 /nfs/dbraw/zinc/69/76/09/539697609.db2.gz FOCMLQHGVJCVOF-UHFFFAOYSA-N 1 0 305.378 2.016 10 0 DEAERO C[NH+](C)C1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000193812723 539715139 /nfs/dbraw/zinc/71/51/39/539715139.db2.gz XUVOYINSWIVJAL-CQSZACIVSA-N 1 0 312.841 2.106 10 0 DEAERO CC(C)(C)[C@@H]1C[NH2+]C2(CCCC2)CN1CCCS(C)(=O)=O ZINC000071358814 190962137 /nfs/dbraw/zinc/96/21/37/190962137.db2.gz BHPWGVUCMOJLFT-AWEZNQCLSA-N 1 0 316.511 2.054 10 0 DEAERO Cc1cc(C)cc(OC[C@H](O)CN2CCC([NH+](C)C)CC2)c1 ZINC000193812659 539715604 /nfs/dbraw/zinc/71/56/04/539715604.db2.gz NIMUPMNZECUJDJ-QGZVFWFLSA-N 1 0 306.450 2.069 10 0 DEAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000214924188 539725501 /nfs/dbraw/zinc/72/55/01/539725501.db2.gz JOIYDKINZXKQBU-STQMWFEESA-N 1 0 300.424 2.231 10 0 DEAERO CC(C)[C@H]1C[C@H](CNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCO1 ZINC000333835828 282977684 /nfs/dbraw/zinc/97/76/84/282977684.db2.gz UFPRZFOIFKYTBO-HZPDHXFCSA-N 1 0 323.481 2.223 10 0 DEAERO CCC[C@@H]([NH3+])c1cn(Cc2ccc(Br)cn2)nn1 ZINC000229954669 539733263 /nfs/dbraw/zinc/73/32/63/539733263.db2.gz DEINODULEGWFBU-LLVKDONJSA-N 1 0 310.199 2.284 10 0 DEAERO CCC[C@H]([NH3+])c1cn(Cc2ccc(Br)cn2)nn1 ZINC000229954676 539733509 /nfs/dbraw/zinc/73/35/09/539733509.db2.gz DEINODULEGWFBU-NSHDSACASA-N 1 0 310.199 2.284 10 0 DEAERO CC[NH+](CC)CCCNC(=O)c1c(C)nc2cc(C)ccn21 ZINC000071476257 190984192 /nfs/dbraw/zinc/98/41/92/190984192.db2.gz HCCHQIZMDQURLE-UHFFFAOYSA-N 1 0 302.422 2.413 10 0 DEAERO C[NH2+]C1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000237121536 539743092 /nfs/dbraw/zinc/74/30/92/539743092.db2.gz CLZRCYWZTBVNFW-SJORKVTESA-N 1 0 302.418 2.365 10 0 DEAERO CC[NH+](CC)CCCN(C[C@@H](C)C(=O)OC)C(=O)C=C(C)C ZINC000071658794 190997982 /nfs/dbraw/zinc/99/79/82/190997982.db2.gz BTESOOIHWICVBT-OAHLLOKOSA-N 1 0 312.454 2.322 10 0 DEAERO CCCCCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000080599475 192171733 /nfs/dbraw/zinc/17/17/33/192171733.db2.gz AXCCBTNQFTXNIE-UHFFFAOYSA-N 1 0 324.513 2.426 10 0 DEAERO CC(C)Oc1ccc2c(c1)nc([C@H]1CCC[NH2+]C1)n2CCO ZINC000071675376 191005321 /nfs/dbraw/zinc/00/53/21/191005321.db2.gz QKAJEZBYEZZHHB-ZDUSSCGKSA-N 1 0 303.406 2.283 10 0 DEAERO CN(C)c1cccc2c1CN(CCc1nccs1)[C@H]2C[NH3+] ZINC000071683384 191006338 /nfs/dbraw/zinc/00/63/38/191006338.db2.gz JBXLXPDNQDAVPQ-HNNXBMFYSA-N 1 0 302.447 2.267 10 0 DEAERO [NH3+]CCCc1nc(CC(=O)N2CCc3ccccc32)cs1 ZINC000071694670 191008751 /nfs/dbraw/zinc/00/87/51/191008751.db2.gz JKWNFWUHFOQMOL-UHFFFAOYSA-N 1 0 301.415 2.166 10 0 DEAERO C[C@@H]([NH3+])c1nc(CC(=O)Nc2cccc(N(C)C)c2)cs1 ZINC000071695619 191008769 /nfs/dbraw/zinc/00/87/69/191008769.db2.gz IJDMMTRALYLDCG-SNVBAGLBSA-N 1 0 304.419 2.410 10 0 DEAERO [NH3+]Cc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000071699995 191009320 /nfs/dbraw/zinc/00/93/20/191009320.db2.gz JMTGQFPASOBTDU-UHFFFAOYSA-N 1 0 309.413 2.103 10 0 DEAERO CC(C)CC(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000133640996 186002592 /nfs/dbraw/zinc/00/25/92/186002592.db2.gz IXGAAHOFIFCRFS-UHFFFAOYSA-N 1 0 302.216 2.436 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1sccc1C)N1CCC(NC(C)=O)CC1 ZINC000133698700 186008097 /nfs/dbraw/zinc/00/80/97/186008097.db2.gz ODPBNGRACSQRIF-LSDHHAIUSA-N 1 0 309.479 2.435 10 0 DEAERO CC1=NO[C@H](C(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)C1 ZINC000071756925 191024732 /nfs/dbraw/zinc/02/47/32/191024732.db2.gz UPHSSBSQNSWEGJ-KRWDZBQOSA-N 1 0 315.417 2.406 10 0 DEAERO CC(=O)NC1CCN([C@@H](C[NH3+])c2ccc(Cl)s2)CC1 ZINC000133720658 186009388 /nfs/dbraw/zinc/00/93/88/186009388.db2.gz CQCORVNHTKSITF-NSHDSACASA-N 1 0 301.843 2.002 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N[C@H]2CC[C@@H](C)C2)c1 ZINC000139358890 186021357 /nfs/dbraw/zinc/02/13/57/186021357.db2.gz GDPVAFVAMWGQCG-KOLCDFICSA-N 1 0 318.389 2.151 10 0 DEAERO CC[C@H](NC(=O)c1ccc2nc(N)sc2c1)c1ncc[nH]1 ZINC000139521921 186022063 /nfs/dbraw/zinc/02/20/63/186022063.db2.gz KQEVFWWWXALNIC-VIFPVBQESA-N 1 0 301.375 2.483 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](CC(C)C)C(=O)N2CC[NH+](C)C)s1 ZINC000140032670 186025379 /nfs/dbraw/zinc/02/53/79/186025379.db2.gz QOBTUIVOHDKCPI-UKRRQHHQSA-N 1 0 309.479 2.463 10 0 DEAERO C[NH2+][C@H](Cc1cccnc1N)c1ccc(Br)cn1 ZINC000140221425 186025827 /nfs/dbraw/zinc/02/58/27/186025827.db2.gz OYTKLONYVAIRLN-GFCCVEGCSA-N 1 0 307.195 2.325 10 0 DEAERO C[NH2+][C@@H](Cc1cccnc1N)c1ncccc1Br ZINC000140436115 186026785 /nfs/dbraw/zinc/02/67/85/186026785.db2.gz MFAYWZBYOIYLAP-NSHDSACASA-N 1 0 307.195 2.325 10 0 DEAERO Cc1ccc([C@@H]2NC3(CC3)C(=O)N2[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000142817107 186032366 /nfs/dbraw/zinc/03/23/66/186032366.db2.gz WCWHNGYVKHYUHW-TZMCWYRMSA-N 1 0 305.447 2.114 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1nc(SC)ncc1Cl ZINC000147447998 186040162 /nfs/dbraw/zinc/04/01/62/186040162.db2.gz AUYGMLJVOVAIKK-VIFPVBQESA-N 1 0 316.858 2.312 10 0 DEAERO CCCCCN(C)[C@@]1(C[NH3+])CCS(=O)(=O)c2ccccc21 ZINC000147643798 186040803 /nfs/dbraw/zinc/04/08/03/186040803.db2.gz HTOSLCGXNJWFIM-MRXNPFEDSA-N 1 0 310.463 2.140 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])c2cncs2)c1Br ZINC000147550374 186040812 /nfs/dbraw/zinc/04/08/12/186040812.db2.gz FPVWXVWYGIFCAZ-SSDOTTSWSA-N 1 0 315.240 2.444 10 0 DEAERO CC(C)(c1nc(-c2ccc(F)cn2)cs1)N1CC[NH2+]CC1 ZINC000147886999 186041795 /nfs/dbraw/zinc/04/17/95/186041795.db2.gz PSJJISWRWXWFMZ-UHFFFAOYSA-N 1 0 306.410 2.485 10 0 DEAERO Cc1c(OCc2ccccc2Br)nc[nH+]c1NN ZINC000147825695 186042056 /nfs/dbraw/zinc/04/20/56/186042056.db2.gz ONFBPSZMNBKYTQ-UHFFFAOYSA-N 1 0 309.167 2.412 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NCCCCC(C)C)nc1 ZINC000147919518 186042540 /nfs/dbraw/zinc/04/25/40/186042540.db2.gz TWYPPQPEUPPJKT-UHFFFAOYSA-N 1 0 313.467 2.296 10 0 DEAERO Cc1cc(C[NH2+]C2CC2)cc(S(=O)(=O)NCC(F)F)c1C ZINC000148189540 186043878 /nfs/dbraw/zinc/04/38/78/186043878.db2.gz SMNNSCSIFMAYKT-UHFFFAOYSA-N 1 0 318.389 2.099 10 0 DEAERO CC[C@]1(C)N[C@H](c2ccsc2)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000142802536 186032599 /nfs/dbraw/zinc/03/25/99/186032599.db2.gz XCXIJIDXUKTOOW-YCPHGPKFSA-N 1 0 307.463 2.441 10 0 DEAERO CCC[NH2+][C@H](Cc1cccs1)C[C@@H]1CCS(=O)(=O)C1 ZINC000142442651 186032803 /nfs/dbraw/zinc/03/28/03/186032803.db2.gz HVKAZVFDMIBWPO-STQMWFEESA-N 1 0 301.477 2.484 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N(C)C2CCC2)ccc1Cl ZINC000144628354 186035537 /nfs/dbraw/zinc/03/55/37/186035537.db2.gz DTIJOFDFABJZGY-UHFFFAOYSA-N 1 0 302.827 2.232 10 0 DEAERO C[C@H](CN1C(=O)C2(CCCC2)N[C@H]1c1cccs1)[NH+](C)C ZINC000144941997 186035884 /nfs/dbraw/zinc/03/58/84/186035884.db2.gz NFQQEWGKFRKAOH-TZMCWYRMSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@@H](O)C(C)(C)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000144953946 186036868 /nfs/dbraw/zinc/03/68/68/186036868.db2.gz UNWYDFIBPQHPSB-SKDRFNHKSA-N 1 0 302.212 2.232 10 0 DEAERO Clc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)nn1 ZINC000149302284 186048962 /nfs/dbraw/zinc/04/89/62/186048962.db2.gz YDIAMEPHDLLPNG-RKDXNWHRSA-N 1 0 303.193 2.059 10 0 DEAERO C[C@@H](CS(=O)(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000149375188 186049566 /nfs/dbraw/zinc/04/95/66/186049566.db2.gz XYEFFGVKVIKVTP-GJZGRUSLSA-N 1 0 310.463 2.099 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CCCS2)cc1 ZINC000150031518 186054302 /nfs/dbraw/zinc/05/43/02/186054302.db2.gz ODAPTXPOPBALSF-AAEUAGOBSA-N 1 0 314.476 2.141 10 0 DEAERO C[NH2+][C@H](c1cscc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000150084790 186054525 /nfs/dbraw/zinc/05/45/25/186054525.db2.gz MEYXWCQIJKYJAW-XVKPBYJWSA-N 1 0 324.265 2.206 10 0 DEAERO CCc1cc(Br)ccc1Nc1cc(NN)[nH+]c(N)n1 ZINC000148514610 186045141 /nfs/dbraw/zinc/04/51/41/186045141.db2.gz GROVCNGKNUZHNR-UHFFFAOYSA-N 1 0 323.198 2.413 10 0 DEAERO CC(=O)Nc1nc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000252412642 539783956 /nfs/dbraw/zinc/78/39/56/539783956.db2.gz AIIDPIYKGLAKFD-TZMCWYRMSA-N 1 0 308.451 2.066 10 0 DEAERO CN(Cc1nnc(-c2ccccc2)n1C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152429976 186072145 /nfs/dbraw/zinc/07/21/45/186072145.db2.gz KEHNKNZUQYNPBY-OAHLLOKOSA-N 1 0 313.449 2.256 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000155804946 186114574 /nfs/dbraw/zinc/11/45/74/186114574.db2.gz MGBTWDLBZLHNRB-LLVKDONJSA-N 1 0 310.467 2.473 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000155822469 186115804 /nfs/dbraw/zinc/11/58/04/186115804.db2.gz BXINQMQWJIEQSV-UONOGXRCSA-N 1 0 301.475 2.059 10 0 DEAERO C[NH2+]C[C@@H](Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000163992769 186145449 /nfs/dbraw/zinc/14/54/49/186145449.db2.gz LCUFYMOIWOUULQ-NWDGAFQWSA-N 1 0 319.829 2.292 10 0 DEAERO COCCn1ncc(Br)c1[C@H](F)[C@@H]1CCC[NH2+]C1 ZINC000164011219 186145961 /nfs/dbraw/zinc/14/59/61/186145961.db2.gz NOILTYLXVCHMKK-MWLCHTKSSA-N 1 0 320.206 2.302 10 0 DEAERO COCCn1ncc(Br)c1[C@]1(F)CCC[NH2+]CC1 ZINC000164036746 186146333 /nfs/dbraw/zinc/14/63/33/186146333.db2.gz YQRIDEJUFOOZMM-LBPRGKRZSA-N 1 0 320.206 2.230 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1cccc(Br)c1 ZINC000159570213 186127869 /nfs/dbraw/zinc/12/78/69/186127869.db2.gz OCSFZDSRVQIGKG-LLVKDONJSA-N 1 0 301.184 2.142 10 0 DEAERO CNc1cc(NCC(C)(C)S(C)(=O)=O)nc(C(C)(C)C)[nH+]1 ZINC000163898746 186141692 /nfs/dbraw/zinc/14/16/92/186141692.db2.gz RJMAIVQTQUIQGP-UHFFFAOYSA-N 1 0 314.455 2.051 10 0 DEAERO CCN(CC(=O)N(C)C)c1ccc(C(F)(F)F)c(C[NH3+])c1 ZINC000163947295 186143450 /nfs/dbraw/zinc/14/34/50/186143450.db2.gz CLQGENVHDMXFQN-UHFFFAOYSA-N 1 0 303.328 2.079 10 0 DEAERO O=C(NCc1cccc(Cl)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173287533 186172379 /nfs/dbraw/zinc/17/23/79/186172379.db2.gz RTNHMHQMZCFBPJ-OAHLLOKOSA-N 1 0 305.809 2.496 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(CCO)CCOC ZINC000164181219 186151373 /nfs/dbraw/zinc/15/13/73/186151373.db2.gz YCVNVWPQGSBMBC-HUUCEWRRSA-N 1 0 300.830 2.059 10 0 DEAERO CN(CC[NH+](C)C)c1ccc(C(F)(F)F)c(C(N)=S)c1 ZINC000164217026 186152809 /nfs/dbraw/zinc/15/28/09/186152809.db2.gz AGFZXMSIWOFTLT-UHFFFAOYSA-N 1 0 305.369 2.337 10 0 DEAERO CC(C)n1ncc(Br)c1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000164277905 186154797 /nfs/dbraw/zinc/15/47/97/186154797.db2.gz AYHWBJNKXGTKTM-RKDXNWHRSA-N 1 0 300.200 2.265 10 0 DEAERO Cc1ncsc1CN(C)c1cc(NN)[nH+]c(C(C)(C)C)n1 ZINC000164316650 186155734 /nfs/dbraw/zinc/15/57/34/186155734.db2.gz PZQHBUFKSLCOCH-UHFFFAOYSA-N 1 0 306.439 2.461 10 0 DEAERO CC(C)C[C@@H](C[NH3+])CC(=O)c1c(Br)cnn1C ZINC000164325324 186156095 /nfs/dbraw/zinc/15/60/95/186156095.db2.gz YTZMQWLECMQRJC-SECBINFHSA-N 1 0 302.216 2.376 10 0 DEAERO Cc1ccc([C@H](O)[C@@]2(C[NH3+])CCOC2)c(Br)c1 ZINC000164349231 186156573 /nfs/dbraw/zinc/15/65/73/186156573.db2.gz WXMDFDDFQRAOOB-QWHCGFSZSA-N 1 0 300.196 2.156 10 0 DEAERO NNc1cc(N2CCC[C@H](C(F)(F)F)C2)nc(C2CC2)[nH+]1 ZINC000164362725 186157677 /nfs/dbraw/zinc/15/76/77/186157677.db2.gz WRULCVBJFRUVCT-VIFPVBQESA-N 1 0 301.316 2.418 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000173344461 186178973 /nfs/dbraw/zinc/17/89/73/186178973.db2.gz HPIBMPXOJMCGPG-WBVHZDCISA-N 1 0 319.449 2.327 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000188005007 186242050 /nfs/dbraw/zinc/24/20/50/186242050.db2.gz IZBKRMNAGARIEO-KZULUSFZSA-N 1 0 317.385 2.482 10 0 DEAERO C[C@@H](O)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186071449 186238129 /nfs/dbraw/zinc/23/81/29/186238129.db2.gz QEGVHLSWKNTTDW-QMTHXVAHSA-N 1 0 322.206 2.299 10 0 DEAERO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ncnn2CC(F)F)C1 ZINC000225615137 186283623 /nfs/dbraw/zinc/28/36/23/186283623.db2.gz LSORRSHSCUUZFC-NHYWBVRUSA-N 1 0 316.396 2.210 10 0 DEAERO Cc1ccc(Br)cc1C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039997 366016535 /nfs/dbraw/zinc/01/65/35/366016535.db2.gz UFTVNNKLYQBEDY-GSJFWJNXSA-N 1 0 311.223 2.453 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1 ZINC000171888324 198001802 /nfs/dbraw/zinc/00/18/02/198001802.db2.gz RXYJCCOGCNKCQN-FUHWJXTLSA-N 1 0 310.397 2.409 10 0 DEAERO CC(C)(C)c1ncc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000171891975 198003071 /nfs/dbraw/zinc/00/30/71/198003071.db2.gz AOGLKTHBVDFDBH-ZDUSSCGKSA-N 1 0 303.410 2.086 10 0 DEAERO O=C(Nc1ccc(-c2ncon2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171892888 198003409 /nfs/dbraw/zinc/00/34/09/198003409.db2.gz VXHBNTGGFUMUTC-AWEZNQCLSA-N 1 0 313.361 2.049 10 0 DEAERO Cc1ccc(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000171904791 198005141 /nfs/dbraw/zinc/00/51/41/198005141.db2.gz DRPJWNRYMUUYHD-QGZVFWFLSA-N 1 0 301.434 2.336 10 0 DEAERO C[C@@H](Cc1ccccc1F)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903846 198005528 /nfs/dbraw/zinc/00/55/28/198005528.db2.gz HPYKJBXDKFBRCC-DZGCQCFKSA-N 1 0 305.397 2.246 10 0 DEAERO CC(C)c1noc(-c2ccnc(N3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)n1 ZINC000333874330 282983298 /nfs/dbraw/zinc/98/32/98/282983298.db2.gz CHDHSJSGICXGRJ-ZIAGYGMSSA-N 1 0 313.405 2.443 10 0 DEAERO CC(C)c1csc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000172046661 198030213 /nfs/dbraw/zinc/03/02/13/198030213.db2.gz RBPPMAJVJJYYAW-LLVKDONJSA-N 1 0 312.439 2.061 10 0 DEAERO CCOC(=O)CCCNC(=O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000172031307 198028520 /nfs/dbraw/zinc/02/85/20/198028520.db2.gz XJFMCZDGJDYEKS-UHFFFAOYSA-N 1 0 312.454 2.204 10 0 DEAERO COc1ccc2c(CC(=O)N3CC[C@@H](C[NH+](C)C)C3)coc2c1 ZINC000172169313 198051515 /nfs/dbraw/zinc/05/15/15/198051515.db2.gz ILKVVGKYUYTVTF-ZDUSSCGKSA-N 1 0 316.401 2.394 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)CCO1 ZINC000172307651 198076975 /nfs/dbraw/zinc/07/69/75/198076975.db2.gz NBAHDBJYYMBFPD-OAHLLOKOSA-N 1 0 313.401 2.084 10 0 DEAERO Cc1ncsc1CC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000172535451 198111796 /nfs/dbraw/zinc/11/17/96/198111796.db2.gz OKUQPWJYWUAACZ-UHFFFAOYSA-N 1 0 303.435 2.361 10 0 DEAERO O=C1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)N1 ZINC000302334529 539860754 /nfs/dbraw/zinc/86/07/54/539860754.db2.gz GPMHQAJVSFPYDL-WCQYABFASA-N 1 0 309.207 2.305 10 0 DEAERO C[C@H]1C[C@H]([N@H+](C)CCCS(=O)(=O)c2ccccc2)CCN1C ZINC000172846459 198157854 /nfs/dbraw/zinc/15/78/54/198157854.db2.gz NQTFLDASUJODRU-JKSUJKDBSA-N 1 0 324.490 2.265 10 0 DEAERO CC(C)c1nc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)no1 ZINC000329437721 539920909 /nfs/dbraw/zinc/92/09/09/539920909.db2.gz KBXQTTXRIBPMHX-CYBMUJFWSA-N 1 0 306.410 2.027 10 0 DEAERO Cc1nnc([C@@H](C)N2CC[C@H](Oc3cccnc3N(C)C)C2)o1 ZINC000329653856 539926507 /nfs/dbraw/zinc/92/65/07/539926507.db2.gz DZBAQUWVCPGZOF-YPMHNXCESA-N 1 0 317.393 2.053 10 0 DEAERO CC(C)Nc1ncccc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173180404 198193140 /nfs/dbraw/zinc/19/31/40/198193140.db2.gz OHZZJEYZEXWZDT-UONOGXRCSA-N 1 0 304.438 2.457 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccccc2F)[C@H](C)C1 ZINC000173257588 198203023 /nfs/dbraw/zinc/20/30/23/198203023.db2.gz CCIZOMYJUGENNI-OCCSQVGLSA-N 1 0 314.426 2.177 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173279332 198205674 /nfs/dbraw/zinc/20/56/74/198205674.db2.gz CGHKPJWRYYZDSK-TZMCWYRMSA-N 1 0 314.426 2.237 10 0 DEAERO O[C@@H](C[NH2+]Cc1ccn(Cc2ccccc2)n1)CC(F)(F)F ZINC000307953271 282865107 /nfs/dbraw/zinc/86/51/07/282865107.db2.gz XISWDEOLKCOHRQ-CQSZACIVSA-N 1 0 313.323 2.334 10 0 DEAERO O=C(NCCc1nc2c(s1)CCCC2)N[C@H]1CCCC[NH2+]C1 ZINC000333700738 539969569 /nfs/dbraw/zinc/96/95/69/539969569.db2.gz DIBRPVHBVVVPNU-LBPRGKRZSA-N 1 0 322.478 2.006 10 0 DEAERO COc1cccc(CCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000173748154 198247454 /nfs/dbraw/zinc/24/74/54/198247454.db2.gz PLUVRKNMAAFLKM-HOCLYGCPSA-N 1 0 319.449 2.362 10 0 DEAERO C[C@@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000173855790 198260946 /nfs/dbraw/zinc/26/09/46/198260946.db2.gz RDQNPQNLHDUACQ-OAHLLOKOSA-N 1 0 309.413 2.360 10 0 DEAERO COc1ccc(Cl)cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333935524 282989007 /nfs/dbraw/zinc/98/90/07/282989007.db2.gz JNSAUWJWDFTOEG-GHMZBOCLSA-N 1 0 309.797 2.422 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(CCOc2c(C)cccc2C)CC1 ZINC000174075742 198288235 /nfs/dbraw/zinc/28/82/35/198288235.db2.gz YTBXIIHNHVTWPE-QGZVFWFLSA-N 1 0 306.450 2.071 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC000174120539 198294213 /nfs/dbraw/zinc/29/42/13/198294213.db2.gz MBXQVSJGYKVPKG-WCQYABFASA-N 1 0 310.829 2.359 10 0 DEAERO CC(C)[C@H](C)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000174513551 198345214 /nfs/dbraw/zinc/34/52/14/198345214.db2.gz YVZIFLWWBZVQMN-HNNXBMFYSA-N 1 0 303.450 2.208 10 0 DEAERO CC[C@@H]1CN(C(=O)c2cc(C)n(CC)c2C)CC[N@@H+]1C[C@@H](C)O ZINC000174634995 198362603 /nfs/dbraw/zinc/36/26/03/198362603.db2.gz DIZPMOJNDHSSMQ-GDBMZVCRSA-N 1 0 321.465 2.042 10 0 DEAERO C[C@@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)[C@@H](C[NH3+])C1 ZINC000333510374 282933506 /nfs/dbraw/zinc/93/35/06/282933506.db2.gz FIZWYFGJIYMWQL-IBEHDNSVSA-N 1 0 321.465 2.103 10 0 DEAERO CN(Cc1nc2c(s1)CCCC2)C(=O)NC1CC[NH+](C)CC1 ZINC000176147199 198551486 /nfs/dbraw/zinc/55/14/86/198551486.db2.gz BJKLXVLJTXEQND-UHFFFAOYSA-N 1 0 322.478 2.258 10 0 DEAERO O=C(NCc1cc2ccccc2[nH]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333944422 282992660 /nfs/dbraw/zinc/99/26/60/282992660.db2.gz RYNDLCKXJSSXSD-UHFFFAOYSA-N 1 0 312.417 2.453 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N2CCC([NH3+])CC2)cc1 ZINC000236786200 202007781 /nfs/dbraw/zinc/00/77/81/202007781.db2.gz SFAHMTPQCMWNIC-UHFFFAOYSA-N 1 0 318.417 2.388 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000055105831 354484644 /nfs/dbraw/zinc/48/46/44/354484644.db2.gz LYRHMVXCDUWQJF-ZIAGYGMSSA-N 1 0 306.406 2.063 10 0 DEAERO Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000054994081 354480033 /nfs/dbraw/zinc/48/00/33/354480033.db2.gz UFNXHNDXZLEDLP-GOSISDBHSA-N 1 0 316.445 2.374 10 0 DEAERO CCOc1cc(C[NH2+]CC(C)(C)N2CCOCC2)ccc1OC ZINC000060818274 354621183 /nfs/dbraw/zinc/62/11/83/354621183.db2.gz QNHHDRXATUGBMN-UHFFFAOYSA-N 1 0 322.449 2.294 10 0 DEAERO CCCN(C[C@@H]1CCCCO1)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000074493005 355032269 /nfs/dbraw/zinc/03/22/69/355032269.db2.gz ATNMSHZLEDWKNC-HOTGVXAUSA-N 1 0 311.470 2.461 10 0 DEAERO CO[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC000074792884 355051073 /nfs/dbraw/zinc/05/10/73/355051073.db2.gz FEDWABGVGBIYMN-DKUMPPAJSA-N 1 0 311.470 2.362 10 0 DEAERO C[C@@H]1CN(C(=O)Oc2ccccc2)CC[C@H]1[NH+]1CCOCC1 ZINC000073655138 191336532 /nfs/dbraw/zinc/33/65/32/191336532.db2.gz KEYRGLPXBXPXGJ-GDBMZVCRSA-N 1 0 304.390 2.228 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000246622596 283094631 /nfs/dbraw/zinc/09/46/31/283094631.db2.gz KAFLHDFWLFCINT-LSDHHAIUSA-N 1 0 316.401 2.014 10 0 DEAERO CCn1cc(NC(=O)c2ccccc2OCC[NH+](C)C)cn1 ZINC000080338344 355357786 /nfs/dbraw/zinc/35/77/86/355357786.db2.gz XZYGVPMNVPYNQU-UHFFFAOYSA-N 1 0 302.378 2.096 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000081108487 355408916 /nfs/dbraw/zinc/40/89/16/355408916.db2.gz VTABZXIZZGWPHQ-GFCCVEGCSA-N 1 0 306.410 2.131 10 0 DEAERO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093332216 355677142 /nfs/dbraw/zinc/67/71/42/355677142.db2.gz SCLCWTJAPNPYTK-BVRNFMLASA-N 1 0 320.477 2.163 10 0 DEAERO CC(=O)N1CCCc2cc(NC(=O)[C@@]3(C)CCC[NH2+]3)ccc21 ZINC000120371188 355790760 /nfs/dbraw/zinc/79/07/60/355790760.db2.gz OMZWHLGHEBIOQJ-QGZVFWFLSA-N 1 0 301.390 2.066 10 0 DEAERO Cc1cccc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000123793852 355807162 /nfs/dbraw/zinc/80/71/62/355807162.db2.gz SENCNUGWIKFKQI-QGZVFWFLSA-N 1 0 312.417 2.492 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NO[C@@H]2CCCCO2)[C@H]1c1ccccc1 ZINC000251890546 283125942 /nfs/dbraw/zinc/12/59/42/283125942.db2.gz WXWKPQNWPFCZEB-ARFHVFGLSA-N 1 0 319.405 2.189 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1OC(F)F ZINC000139494622 355877656 /nfs/dbraw/zinc/87/76/56/355877656.db2.gz FVVFEXRYWOHBAO-LBPRGKRZSA-N 1 0 313.348 2.181 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1F ZINC000170826823 355994640 /nfs/dbraw/zinc/99/46/40/355994640.db2.gz NWXKEIZYUVVVIE-DGCLKSJQSA-N 1 0 309.385 2.241 10 0 DEAERO C[C@H](NC(=O)Nc1nncs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180856990 356063233 /nfs/dbraw/zinc/06/32/33/356063233.db2.gz ZWDXNUFEBGCOPY-QWRGUYRKSA-N 1 0 309.439 2.313 10 0 DEAERO C[C@H](NC(=O)Nc1nncs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180856954 356063926 /nfs/dbraw/zinc/06/39/26/356063926.db2.gz ZWDXNUFEBGCOPY-WDEREUQCSA-N 1 0 309.439 2.313 10 0 DEAERO Cc1nn(C)cc1[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000179166541 356015680 /nfs/dbraw/zinc/01/56/80/356015680.db2.gz PULVOKQVKSVPSL-DZGCQCFKSA-N 1 0 321.469 2.209 10 0 DEAERO Cc1cc(C)n2c(C[N@H+](C)C[C@H]3CCCC[C@@H]3O)cnc2n1 ZINC000181093378 356072699 /nfs/dbraw/zinc/07/26/99/356072699.db2.gz LFYRXOKRSMYVPY-ZBFHGGJFSA-N 1 0 302.422 2.329 10 0 DEAERO CCC(CC)[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000181412287 356080374 /nfs/dbraw/zinc/08/03/74/356080374.db2.gz FILFITAQTFKLBM-PMPSAXMXSA-N 1 0 311.470 2.364 10 0 DEAERO O=C(N[C@@H]1CCCOCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000181740305 356093814 /nfs/dbraw/zinc/09/38/14/356093814.db2.gz LGTRDIOKYHIGPK-HZPDHXFCSA-N 1 0 309.454 2.215 10 0 DEAERO CC(C)[C@H](C)CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181813662 356096792 /nfs/dbraw/zinc/09/67/92/356096792.db2.gz HCUBCYFDHPJJGL-CABCVRRESA-N 1 0 313.486 2.013 10 0 DEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)CC(C)(C)C)C1 ZINC000080185110 192010080 /nfs/dbraw/zinc/01/00/80/192010080.db2.gz KLTRQPSIOAPXIY-UONOGXRCSA-N 1 0 304.500 2.462 10 0 DEAERO CCC(C)(C)NC(=O)CN[C@H](C[S@@](C)=O)c1ccccc1 ZINC000183100226 356159723 /nfs/dbraw/zinc/15/97/23/356159723.db2.gz IXWWSTYVILBPRT-SPLOXXLWSA-N 1 0 310.463 2.001 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000183140289 356161244 /nfs/dbraw/zinc/16/12/44/356161244.db2.gz MLXIJFWHQOZPSH-ZBFHGGJFSA-N 1 0 306.454 2.442 10 0 DEAERO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1cccc(-n2cccn2)c1 ZINC000183594678 356176835 /nfs/dbraw/zinc/17/68/35/356176835.db2.gz JMCKXVNBCFJCCL-UONOGXRCSA-N 1 0 321.446 2.204 10 0 DEAERO Cn1nnc2ccc(C(=O)Nc3cccc(C[NH+](C)C)c3)cc21 ZINC000182644301 356135274 /nfs/dbraw/zinc/13/52/74/356135274.db2.gz KBRXMDZYTNVDIH-UHFFFAOYSA-N 1 0 309.373 2.282 10 0 DEAERO CC[C@@](C)(CO)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000080108409 192001680 /nfs/dbraw/zinc/00/16/80/192001680.db2.gz KQWQXRGWFDPJIC-ZDUSSCGKSA-N 1 0 315.211 2.138 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)cc1NC(C)=O ZINC000184307368 356189123 /nfs/dbraw/zinc/18/91/23/356189123.db2.gz HHCZEVZYXNGXKS-HJTOQOCKSA-N 1 0 312.435 2.071 10 0 DEAERO [NH3+]C[C@H](O)c1cc(Br)c(Br)s1 ZINC000227972280 356281385 /nfs/dbraw/zinc/28/13/85/356281385.db2.gz IUGNVQVPVCQWMV-BYPYZUCNSA-N 1 0 301.003 2.265 10 0 DEAERO CCNS(=O)(=O)c1ccccc1OCC1([NH3+])CCCCC1 ZINC000080842357 192194898 /nfs/dbraw/zinc/19/48/98/192194898.db2.gz SBXMJVCZQWREAP-UHFFFAOYSA-N 1 0 312.435 2.025 10 0 DEAERO CCCNS(=O)(=O)c1ccc(OCC([NH3+])(CC)CC)cc1 ZINC000080843352 192195361 /nfs/dbraw/zinc/19/53/61/192195361.db2.gz JFZQDKFYRKTAGL-UHFFFAOYSA-N 1 0 314.451 2.271 10 0 DEAERO C[C@H](CCO)C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400338176 283155670 /nfs/dbraw/zinc/15/56/70/283155670.db2.gz FYZGFDLZYVLLSW-MCIONIFRSA-N 1 0 300.443 2.240 10 0 DEAERO C/C=C\c1ccc(OCC(=O)N2CCC[C@@H]2C[NH2+]C)c(OC)c1 ZINC000255508825 356337968 /nfs/dbraw/zinc/33/79/68/356337968.db2.gz WSJHSZZYMMEJES-ZDTYVGOBSA-N 1 0 318.417 2.318 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000262598373 356341964 /nfs/dbraw/zinc/34/19/64/356341964.db2.gz AIHTVLRGTKRGSK-WWGRRREGSA-N 1 0 320.481 2.110 10 0 DEAERO 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PADQUUXSZUEPPT-UONOGXRCSA-N 1 0 306.454 2.243 10 0 DEAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000236936237 202080147 /nfs/dbraw/zinc/08/01/47/202080147.db2.gz BBIUYQABKCXAKX-HXPMCKFVSA-N 1 0 302.827 2.284 10 0 DEAERO c1ncn2c1C[C@@H](c1nc(-c3ccn4c[nH+]cc4c3)no1)CC2 ZINC000351068079 356606420 /nfs/dbraw/zinc/60/64/20/356606420.db2.gz ABGIJRLQEPACAC-LBPRGKRZSA-N 1 0 306.329 2.311 10 0 DEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)C1CC[NH2+]CC1 ZINC000236947946 202088483 /nfs/dbraw/zinc/08/84/83/202088483.db2.gz OBXITUCOPJCALU-UHFFFAOYSA-N 1 0 309.797 2.028 10 0 DEAERO [NH3+][C@@]1(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCOC1 ZINC000085867687 192536747 /nfs/dbraw/zinc/53/67/47/192536747.db2.gz QDLIPLXGWGOMAM-NSHDSACASA-N 1 0 308.687 2.415 10 0 DEAERO CC[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000086021374 192544074 /nfs/dbraw/zinc/54/40/74/192544074.db2.gz OFEBUSABYCXAEF-NORZTCDRSA-N 1 0 309.431 2.095 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](C(=O)NCc2cc(Br)cs2)C1 ZINC000086093237 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CCS(=O)(=O)CCC[C@H]([NH2+]C)c1ccc2nccnc2c1 ZINC000086979769 192605723 /nfs/dbraw/zinc/60/57/23/192605723.db2.gz DRNUZGSFPXBLJW-ZDUSSCGKSA-N 1 0 307.419 2.105 10 0 DEAERO CCC[C@@H]1C[NH2+]C(CC)(CC)CN1CCCS(=O)(=O)CC ZINC000086982662 192606884 /nfs/dbraw/zinc/60/68/84/192606884.db2.gz IUIBNDKTLASVSE-OAHLLOKOSA-N 1 0 318.527 2.444 10 0 DEAERO CC[C@@](C)(O)C[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000087028029 192612895 /nfs/dbraw/zinc/61/28/95/192612895.db2.gz IZTYJIDUHJZARQ-CYBMUJFWSA-N 1 0 315.211 2.138 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)s1 ZINC000088920284 192658144 /nfs/dbraw/zinc/65/81/44/192658144.db2.gz AKZQNBDLERZYHV-TXEJJXNPSA-N 1 0 316.492 2.177 10 0 DEAERO CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C[NH2+]C)s1 ZINC000088942478 192663153 /nfs/dbraw/zinc/66/31/53/192663153.db2.gz LADUQKNWERIFEK-NSHDSACASA-N 1 0 302.465 2.421 10 0 DEAERO Cc1oc(C[NH3+])cc1S(=O)(=O)N(C)C1CCCCCC1 ZINC000088970478 192674280 /nfs/dbraw/zinc/67/42/80/192674280.db2.gz RNYOEZLOTJKVOU-UHFFFAOYSA-N 1 0 300.424 2.390 10 0 DEAERO CC[NH2+]CCCCS(=O)(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000088970892 192674476 /nfs/dbraw/zinc/67/44/76/192674476.db2.gz YWPCSLXPDKWSAA-CABCVRRESA-N 1 0 302.484 2.361 10 0 DEAERO Cc1sc(C[NH2+]C2CC2)cc1S(=O)(=O)N1CCC[C@@H]1C ZINC000088972047 192675232 /nfs/dbraw/zinc/67/52/32/192675232.db2.gz VANQHJUTLXUNPG-JTQLQIEISA-N 1 0 314.476 2.482 10 0 DEAERO CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(OCCC[NH3+])cc1 ZINC000088964874 192672841 /nfs/dbraw/zinc/67/28/41/192672841.db2.gz WPKRFRQPAKJEHP-CYBMUJFWSA-N 1 0 314.451 2.223 10 0 DEAERO CCC[C@H](C)N(C)S(=O)(=O)c1cc(C[NH3+])n(CCC)c1 ZINC000088964919 192673066 /nfs/dbraw/zinc/67/30/66/192673066.db2.gz CDUNQVXTSNWGIP-LBPRGKRZSA-N 1 0 301.456 2.166 10 0 DEAERO COC(=O)c1cncc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000178391683 198859828 /nfs/dbraw/zinc/85/98/28/198859828.db2.gz XXYWFOMKNCWLFE-LBPRGKRZSA-N 1 0 305.378 2.071 10 0 DEAERO CC(C)(C)OC(=O)N1CC(Cn2cc(C3CC[NH2+]CC3)cn2)C1 ZINC000585143051 357339004 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COc1ccc([C@@H](C)[NH2+]CC2(C)OCCO2)cc1NC(C)=O ZINC000179572943 199056917 /nfs/dbraw/zinc/05/69/17/199056917.db2.gz KMXWSABAPSDBDO-LLVKDONJSA-N 1 0 308.378 2.067 10 0 DEAERO CC(C)C1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000359157110 535377810 /nfs/dbraw/zinc/37/78/10/535377810.db2.gz UASRUHCNFTUIGF-UHFFFAOYSA-N 1 0 304.438 2.429 10 0 DEAERO Cn1cc(-c2cc(C[NH2+][C@](C)(CO)C3CCCCC3)on2)cn1 ZINC000185008957 199795303 /nfs/dbraw/zinc/79/53/03/199795303.db2.gz GVMNRCCKXVGVBC-QGZVFWFLSA-N 1 0 318.421 2.496 10 0 DEAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCCc2sccc2C1 ZINC000593439713 358078981 /nfs/dbraw/zinc/07/89/81/358078981.db2.gz BLZHSROVTVDHDV-LSDHHAIUSA-N 1 0 311.447 2.053 10 0 DEAERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000180045008 199110942 /nfs/dbraw/zinc/11/09/42/199110942.db2.gz NMQYEBRFDVEDPT-HUUCEWRRSA-N 1 0 316.449 2.071 10 0 DEAERO COc1ccc([C@H](C)C[N@@H+]2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000180084691 199116050 /nfs/dbraw/zinc/11/60/50/199116050.db2.gz QRVXRWLDQARHTO-BZUAXINKSA-N 1 0 306.450 2.186 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2c(C)cc(C)cc2C)CC1 ZINC000180430066 199158365 /nfs/dbraw/zinc/15/83/65/199158365.db2.gz JPLKMXFWLXTBTC-KRWDZBQOSA-N 1 0 318.461 2.069 10 0 DEAERO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)nn1-c1ccc(F)cc1 ZINC000180397686 199154087 /nfs/dbraw/zinc/15/40/87/199154087.db2.gz HZKUSAVHWYGZCE-HNNXBMFYSA-N 1 0 316.380 2.144 10 0 DEAERO COc1cc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)ccc1SC ZINC000180498436 199167412 /nfs/dbraw/zinc/16/74/12/199167412.db2.gz CRCSMUQUTKBLJY-TZMCWYRMSA-N 1 0 310.463 2.398 10 0 DEAERO C[C@H](c1cnn(C)c1)N(C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000180791017 199209633 /nfs/dbraw/zinc/20/96/33/199209633.db2.gz HQUNUAGKNYZUBH-LSDHHAIUSA-N 1 0 321.469 2.243 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(Cl)cn3)CC[C@@H]21 ZINC000180852200 199217639 /nfs/dbraw/zinc/21/76/39/199217639.db2.gz WDLUROSPMPIUJM-DOMZBBRYSA-N 1 0 322.840 2.361 10 0 DEAERO CC(=O)N1CCC([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000595000570 358375855 /nfs/dbraw/zinc/37/58/55/358375855.db2.gz LVORHFHFPGHDFR-UHFFFAOYSA-N 1 0 310.438 2.099 10 0 DEAERO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cnn(C)c1)[NH+]1CCC(C)CC1 ZINC000180790983 199209892 /nfs/dbraw/zinc/20/98/92/199209892.db2.gz HQUNUAGKNYZUBH-GJZGRUSLSA-N 1 0 321.469 2.243 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)NC(C)(C)CC(C)(C)C ZINC000089010414 192696924 /nfs/dbraw/zinc/69/69/24/192696924.db2.gz QCLZOBXZTDHXIB-CYBMUJFWSA-N 1 0 319.515 2.110 10 0 DEAERO CCCC[C@@H](C)NS(=O)(=O)c1cc(C[NH3+])n(C(C)C)c1 ZINC000089022606 192703183 /nfs/dbraw/zinc/70/31/83/192703183.db2.gz HNQMWFIATPWSRW-GFCCVEGCSA-N 1 0 301.456 2.385 10 0 DEAERO CC[C@@H](C)CNS(=O)(=O)c1cc(Cl)cc(C[NH3+])c1F ZINC000089025974 192704750 /nfs/dbraw/zinc/70/47/50/192704750.db2.gz KNGGCHINNLLYLB-MRVPVSSYSA-N 1 0 308.806 2.262 10 0 DEAERO CCn1cc(S(=O)(=O)NC(CC)(CC)CC)cc1C[NH2+]C ZINC000089049348 192720091 /nfs/dbraw/zinc/72/00/91/192720091.db2.gz LMQKDYCLGKWNMH-UHFFFAOYSA-N 1 0 315.483 2.475 10 0 DEAERO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089132412 192732547 /nfs/dbraw/zinc/73/25/47/192732547.db2.gz FHDAIMGCWSIKDO-GDBMZVCRSA-N 1 0 310.463 2.387 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2)N1CCOCC1 ZINC000186362677 199948246 /nfs/dbraw/zinc/94/82/46/199948246.db2.gz WTAOQEGKKPKCGA-AWEZNQCLSA-N 1 0 320.433 2.142 10 0 DEAERO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC2)nn1-c1ccccc1 ZINC000186807058 200013940 /nfs/dbraw/zinc/01/39/40/200013940.db2.gz KZISYRQOSJSWBS-UHFFFAOYSA-N 1 0 312.417 2.347 10 0 DEAERO CN1C(=O)CCc2cc(C[NH2+]C[C@@H](O)Cc3ccccc3)ccc21 ZINC000187215031 200078080 /nfs/dbraw/zinc/07/80/80/200078080.db2.gz HLYFQWSSHSCYQK-SFHVURJKSA-N 1 0 324.424 2.289 10 0 DEAERO C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1coc(C[NH3+])c1 ZINC000187644061 200139617 /nfs/dbraw/zinc/13/96/17/200139617.db2.gz GZTFKKODSXSKMY-MLGOLLRUSA-N 1 0 300.358 2.341 10 0 DEAERO CCC[C@H](C)[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000187684739 200144041 /nfs/dbraw/zinc/14/40/41/200144041.db2.gz 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NPOSDTINEXEYOE-JTQLQIEISA-N 1 0 313.195 2.075 10 0 DEAERO [NH3+]CC1CC(OCC(=O)Nc2ccc(Br)cc2)C1 ZINC000091451241 193058480 /nfs/dbraw/zinc/05/84/80/193058480.db2.gz XBYZDMPIGGGSAJ-UHFFFAOYSA-N 1 0 313.195 2.142 10 0 DEAERO CN(Cc1ccc(Cl)s1)[C@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323400 193040342 /nfs/dbraw/zinc/04/03/42/193040342.db2.gz QQLPSRLRSXXHLZ-NSHDSACASA-N 1 0 315.870 2.173 10 0 DEAERO C[NH2+][C@H](Cc1ncnn1C)c1cc(F)cc(Br)c1 ZINC000091331022 193042203 /nfs/dbraw/zinc/04/22/03/193042203.db2.gz FCGUNJBMDVBDIB-LLVKDONJSA-N 1 0 313.174 2.220 10 0 DEAERO COc1ccc(Br)cc1C[NH2+]CC1CC(O)C1 ZINC000091425723 193054126 /nfs/dbraw/zinc/05/41/26/193054126.db2.gz RQPBETAPPVZYJL-UHFFFAOYSA-N 1 0 300.196 2.318 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2cc(Br)ccc2F)C1 ZINC000091546450 193071964 /nfs/dbraw/zinc/07/19/64/193071964.db2.gz JOORSUUXYVEFFX-LDYMZIIASA-N 1 0 315.186 2.332 10 0 DEAERO c1nnc2ccc(N3CC[C@@H]([NH2+][C@H]4CCCC45CCC5)C3)nn12 ZINC000624117811 365295553 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ZINC000091639062 193082192 /nfs/dbraw/zinc/08/21/92/193082192.db2.gz IUMBNTOHJNAMHG-CQSZACIVSA-N 1 0 304.500 2.183 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)C(CC)(CC)N1CCCC1 ZINC000091635506 193083185 /nfs/dbraw/zinc/08/31/85/193083185.db2.gz AFBUNZFRYCPTKA-HNNXBMFYSA-N 1 0 318.527 2.444 10 0 DEAERO Cc1sc2[nH]c(Cn3cccc3[C@H](C)[NH3+])nc(=O)c2c1C ZINC000091799959 193110357 /nfs/dbraw/zinc/11/03/57/193110357.db2.gz QVPAXGXMSOUNPY-VIFPVBQESA-N 1 0 302.403 2.471 10 0 DEAERO Cc1sc2[nH]c(Cn3cccc3[C@@H](C)[NH3+])nc(=O)c2c1C ZINC000091799958 193110373 /nfs/dbraw/zinc/11/03/73/193110373.db2.gz QVPAXGXMSOUNPY-SECBINFHSA-N 1 0 302.403 2.471 10 0 DEAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccccc1F ZINC000091852211 193118359 /nfs/dbraw/zinc/11/83/59/193118359.db2.gz WBUZKORQJQQBOC-UHFFFAOYSA-N 1 0 314.426 2.496 10 0 DEAERO C[NH2+]C1CCC(N(C)C(=O)c2cc(Br)c[nH]2)CC1 ZINC000091872251 193120923 /nfs/dbraw/zinc/12/09/23/193120923.db2.gz VVMVRDNZGMPOBH-UHFFFAOYSA-N 1 0 314.227 2.380 10 0 DEAERO c1ccc2c(c1)CN(c1ccnc(N3CC[C@H]4COC[C@@H]4C3)n1)C2 ZINC000624408746 365413342 /nfs/dbraw/zinc/41/33/42/365413342.db2.gz DEACCNLBMRBWIN-IRXDYDNUSA-N 1 0 322.412 2.470 10 0 DEAERO CC(C)(C[NH3+])[C@@H](O)c1cc(Br)c2c(c1)OCCO2 ZINC000091913285 193126288 /nfs/dbraw/zinc/12/62/88/193126288.db2.gz TUNOQEFOCQYUIX-LBPRGKRZSA-N 1 0 316.195 2.239 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000262451140 291379139 /nfs/dbraw/zinc/37/91/39/291379139.db2.gz HTKJYUXPXPPJRD-SOLBZPMBSA-N 1 0 302.418 2.352 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccncc3Br)C[C@@H]21 ZINC000629518866 367231905 /nfs/dbraw/zinc/23/19/05/367231905.db2.gz MKVAHYCLWRSDJT-VHRBIJSZSA-N 1 0 310.239 2.403 10 0 DEAERO CC(=O)N1CC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)c2ccccc2C1 ZINC000629543335 367242275 /nfs/dbraw/zinc/24/22/75/367242275.db2.gz YRZGSXWLWVUFJZ-QBIMZIAESA-N 1 0 301.434 2.210 10 0 DEAERO C[NH2+]CCOCCN(C)Cc1ccccc1Br ZINC000629568280 367254926 /nfs/dbraw/zinc/25/49/26/367254926.db2.gz SMNHRCSCQNCOPE-UHFFFAOYSA-N 1 0 301.228 2.117 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000271763855 209194886 /nfs/dbraw/zinc/19/48/86/209194886.db2.gz FGJGHWBLMOZILA-ZIAGYGMSSA-N 1 0 308.813 2.161 10 0 DEAERO [NH3+]C[C@H]1CN(c2nc(C3CC3)ns2)CC[C@H]1C(F)(F)F ZINC000630525075 367705832 /nfs/dbraw/zinc/70/58/32/367705832.db2.gz AQPRBWIMQDPNNM-DTWKUNHWSA-N 1 0 306.357 2.379 10 0 DEAERO CNC(=O)[C@@H]1CCCN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000092098892 193157897 /nfs/dbraw/zinc/15/78/97/193157897.db2.gz BCMTVNDFFLTNJZ-KRWDZBQOSA-N 1 0 317.477 2.355 10 0 DEAERO CC[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092113462 193161306 /nfs/dbraw/zinc/16/13/06/193161306.db2.gz NYKYUBQHWWPLGS-QWRGUYRKSA-N 1 0 314.451 2.282 10 0 DEAERO CCC[NH2+]Cc1ccccc1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092113894 193161493 /nfs/dbraw/zinc/16/14/93/193161493.db2.gz RXCFNFSAUTXHLK-KBPBESRZSA-N 1 0 310.463 2.463 10 0 DEAERO C[NH2+]Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092113949 193161507 /nfs/dbraw/zinc/16/15/07/193161507.db2.gz ZYUVRHXWWLUXOS-BETUJISGSA-N 1 0 310.463 2.299 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C)cc2F)C1 ZINC000092115712 193163416 /nfs/dbraw/zinc/16/34/16/193163416.db2.gz RAQQXALJPAWSNH-GFCCVEGCSA-N 1 0 314.426 2.356 10 0 DEAERO CCN(c1ccccc1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115537 193163588 /nfs/dbraw/zinc/16/35/88/193163588.db2.gz XQSBMRHWJLYWBC-UHFFFAOYSA-N 1 0 308.378 2.500 10 0 DEAERO C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115552 193163612 /nfs/dbraw/zinc/16/36/12/193163612.db2.gz SZUIRZGPIKNCHB-GHMZBOCLSA-N 1 0 300.399 2.236 10 0 DEAERO c1oc2ccccc2c1CNCc1cn(C[C@@H]2CCOC2)nn1 ZINC000631072276 368001662 /nfs/dbraw/zinc/00/16/62/368001662.db2.gz QQFXVDBRLHANEG-ZDUSSCGKSA-N 1 0 312.373 2.351 10 0 DEAERO c1c(C[NH2+]C[C@H]2CC3CCC2CC3)nnn1C[C@@H]1CCOC1 ZINC000631166516 368056950 /nfs/dbraw/zinc/05/69/50/368056950.db2.gz VGRKCDOTKWQUOB-BHDPWAOGSA-N 1 0 304.438 2.231 10 0 DEAERO OC(C[NH2+]Cc1ccncc1Br)(C1CC1)C1CC1 ZINC000631174551 368062996 /nfs/dbraw/zinc/06/29/96/368062996.db2.gz CMHPKNUNYOMOTK-UHFFFAOYSA-N 1 0 311.223 2.485 10 0 DEAERO c1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)n(CC2CCC2)n1 ZINC000631178831 368063786 /nfs/dbraw/zinc/06/37/86/368063786.db2.gz WUHXISZCIMHJMN-GOSISDBHSA-N 1 0 318.465 2.026 10 0 DEAERO c1c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)nnn1C[C@@H]1CCOC1 ZINC000631080230 368006619 /nfs/dbraw/zinc/00/66/19/368006619.db2.gz XXFASAQEVWGJGI-YHUYYLMFSA-N 1 0 304.438 2.373 10 0 DEAERO c1cc(C[NH2+][C@H]2CCN(c3ccccn3)C2)n(CC2CCC2)n1 ZINC000631106784 368019065 /nfs/dbraw/zinc/01/90/65/368019065.db2.gz QSQLJERUVREDNN-INIZCTEOSA-N 1 0 311.433 2.447 10 0 DEAERO COc1cc(C[NH2+]CC[C@@H](O)C(F)F)cc(Cl)c1OC ZINC000631220403 368086746 /nfs/dbraw/zinc/08/67/46/368086746.db2.gz XPYKSZXUTGLJBP-SNVBAGLBSA-N 1 0 309.740 2.463 10 0 DEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc(Cl)c2-n2ccnc2)C1 ZINC000092202400 193173011 /nfs/dbraw/zinc/17/30/11/193173011.db2.gz PQENOCWYAPSSQF-QWRGUYRKSA-N 1 0 302.765 2.368 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)C1 ZINC000092204585 193173100 /nfs/dbraw/zinc/17/31/00/193173100.db2.gz UWWJWUGWZZBQRA-MJBXVCDLSA-N 1 0 306.431 2.159 10 0 DEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccccc2OCC(F)(F)F)C1 ZINC000092202874 193172735 /nfs/dbraw/zinc/17/27/35/193172735.db2.gz NZWCQWGHCPSCOG-ZJUUUORDSA-N 1 0 300.280 2.470 10 0 DEAERO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000631845067 368420107 /nfs/dbraw/zinc/42/01/07/368420107.db2.gz SDHDBBHFGVGDDR-NXEZZACHSA-N 1 0 316.232 2.459 10 0 DEAERO C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000631844551 368420637 /nfs/dbraw/zinc/42/06/37/368420637.db2.gz XZTUXJKBPWIVKC-UWVGGRQHSA-N 1 0 316.232 2.459 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCCCC[C@H]([NH3+])C2)c1 ZINC000631831561 368409012 /nfs/dbraw/zinc/40/90/12/368409012.db2.gz IPXLFIBTTGGORO-CJNGLKHVSA-N 1 0 317.433 2.420 10 0 DEAERO [NH3+][C@H]1CCCCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000631960273 368468155 /nfs/dbraw/zinc/46/81/55/368468155.db2.gz MGJIWNOBLSMBDF-NSHDSACASA-N 1 0 302.827 2.232 10 0 DEAERO CC[C@H](C(N)=S)[NH+]1CCN(CCSc2ccccc2)CC1 ZINC000092261139 193182597 /nfs/dbraw/zinc/18/25/97/193182597.db2.gz UVRGITZFZAJDBT-OAHLLOKOSA-N 1 0 323.531 2.461 10 0 DEAERO CCCc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261996994 203170850 /nfs/dbraw/zinc/17/08/50/203170850.db2.gz UDLHDNXLFQLHGK-CVEARBPZSA-N 1 0 312.417 2.314 10 0 DEAERO [NH3+]C[C@H](c1cc(Cl)cs1)N1CCN(c2ncccn2)CC1 ZINC000093095249 193203317 /nfs/dbraw/zinc/20/33/17/193203317.db2.gz XXPGIWRGTXKCLV-GFCCVEGCSA-N 1 0 323.853 2.014 10 0 DEAERO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000262080487 203192316 /nfs/dbraw/zinc/19/23/16/203192316.db2.gz TVIMBNMCPOKYNS-MWNCTCPHSA-N 1 0 306.381 2.242 10 0 DEAERO COCC[NH2+]C[C@@H](Cc1ncnn1C)c1ccc(Cl)cc1 ZINC000093148341 193208881 /nfs/dbraw/zinc/20/88/81/193208881.db2.gz AENUZHZZLDZUFS-CYBMUJFWSA-N 1 0 308.813 2.031 10 0 DEAERO [NH3+]C[C@H](c1ccc(F)cc1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000093151008 193208690 /nfs/dbraw/zinc/20/86/90/193208690.db2.gz DCTHBOCNRAPMIZ-HUUCEWRRSA-N 1 0 305.374 2.439 10 0 DEAERO [NH3+]Cc1ccc(C(=O)NC[C@H]2COC3(CCCCCC3)O2)cc1 ZINC000262326921 203262852 /nfs/dbraw/zinc/26/28/52/203262852.db2.gz UFULYRXQJPOZKF-INIZCTEOSA-N 1 0 318.417 2.341 10 0 DEAERO C[S@@](=O)Cc1cc(NC(=O)[C@@H]2CCCC[NH2+]2)ccc1Cl ZINC000262483914 203305510 /nfs/dbraw/zinc/30/55/10/203305510.db2.gz SYSKLFROWSSISX-RNODOKPDSA-N 1 0 314.838 2.299 10 0 DEAERO Cc1cccc(Oc2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)c1 ZINC000262557971 203330595 /nfs/dbraw/zinc/33/05/95/203330595.db2.gz VLQIKYFWUYPBNL-RHSMWYFYSA-N 1 0 312.369 2.449 10 0 DEAERO NC(=O)c1ccc(O[C@H]2CCC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000093219488 193218275 /nfs/dbraw/zinc/21/82/75/193218275.db2.gz UHGZCPGRNOPDQZ-BDAKNGLRSA-N 1 0 302.296 2.453 10 0 DEAERO CCN1C(=[NH2+])NC[C@@]1(C)c1ccc(F)c(Br)c1 ZINC000093357954 193236582 /nfs/dbraw/zinc/23/65/82/193236582.db2.gz XFIJQNGPYBVIGC-LBPRGKRZSA-N 1 0 300.175 2.454 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ncc(N)cc1Br ZINC000093433335 193250508 /nfs/dbraw/zinc/25/05/08/193250508.db2.gz YOJRHZSDSFIBIQ-LLVKDONJSA-N 1 0 313.243 2.347 10 0 DEAERO Nc1cnc(N2CC[C@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000093433141 193250554 /nfs/dbraw/zinc/25/05/54/193250554.db2.gz PUJRZHGNFUKRJD-NSHDSACASA-N 1 0 311.227 2.101 10 0 DEAERO C[C@H](C[C@@H]1CCC[NH2+]1)Nc1cc(S(C)(=O)=O)ccc1F ZINC000093464006 193255817 /nfs/dbraw/zinc/25/58/17/193255817.db2.gz DDPUBTUXOSESQV-MNOVXSKESA-N 1 0 300.399 2.172 10 0 DEAERO NC1=[NH+]C[C@@]2(CCCOC2)N1c1ccccc1Br ZINC000093386407 193242177 /nfs/dbraw/zinc/24/21/77/193242177.db2.gz GTYKQKBRURXJBR-CYBMUJFWSA-N 1 0 310.195 2.343 10 0 DEAERO CC(C)(CNC1=[NH+][C@@H](c2ccccc2)CS1)S(C)(=O)=O ZINC000093524714 193263702 /nfs/dbraw/zinc/26/37/02/193263702.db2.gz HYUAHWVOYPSCJN-GFCCVEGCSA-N 1 0 312.460 2.243 10 0 DEAERO CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596072 193270829 /nfs/dbraw/zinc/27/08/29/193270829.db2.gz ATNXNSYUBZAUKN-AAEUAGOBSA-N 1 0 310.360 2.494 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1ccccc1OC ZINC000093630006 193276018 /nfs/dbraw/zinc/27/60/18/193276018.db2.gz RZYLEGRCMAXPDZ-BLLLJJGKSA-N 1 0 308.447 2.421 10 0 DEAERO Cc1ccccc1[C@@](C)([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699151 193293097 /nfs/dbraw/zinc/29/30/97/193293097.db2.gz GRPPQYWYZCTYAP-HOCLYGCPSA-N 1 0 310.463 2.231 10 0 DEAERO CC[C@@H]1CCCC[C@@]1([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699224 193293322 /nfs/dbraw/zinc/29/33/22/193293322.db2.gz JUBYFRDGLVZNOX-RRFJBIMHSA-N 1 0 302.484 2.346 10 0 DEAERO C[C@]([NH3+])(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000093699169 193293340 /nfs/dbraw/zinc/29/33/40/193293340.db2.gz JKKREHIDRYCDDW-DOMZBBRYSA-N 1 0 314.426 2.061 10 0 DEAERO Cc1cc([C@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)ccc1F ZINC000093700051 193294142 /nfs/dbraw/zinc/29/41/42/193294142.db2.gz UMZHIXIQKYBZFR-SWLSCSKDSA-N 1 0 314.426 2.196 10 0 DEAERO Cc1ccc([C@H](C[NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093701657 193294793 /nfs/dbraw/zinc/29/47/93/193294793.db2.gz ZCYSRQYKCRMEQQ-ZBFHGGJFSA-N 1 0 310.463 2.099 10 0 DEAERO C[NH2+][C@@H](CCC[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093702294 193295342 /nfs/dbraw/zinc/29/53/42/193295342.db2.gz GMMHPJZDOKSTNN-KBPBESRZSA-N 1 0 304.500 2.462 10 0 DEAERO CC(C)OCCS(=O)(=O)N(CCC[NH3+])C1CCCCCC1 ZINC000093664702 193286304 /nfs/dbraw/zinc/28/63/04/193286304.db2.gz PIWHRTMDODHUSY-UHFFFAOYSA-N 1 0 320.499 2.115 10 0 DEAERO OC[C@]1(Cc2cc(F)cc(Br)c2)CCC[NH2+]C1 ZINC000094004704 193338005 /nfs/dbraw/zinc/33/80/05/193338005.db2.gz HPRBQCGXRGBDEB-ZDUSSCGKSA-N 1 0 302.187 2.493 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000093873761 193322087 /nfs/dbraw/zinc/32/20/87/193322087.db2.gz BJNCJUVUEBULRX-UHFFFAOYSA-N 1 0 304.843 2.254 10 0 DEAERO CCn1nc(C)c(Br)c1CN(C)CC(C)(C)C[NH3+] ZINC000093874538 193322428 /nfs/dbraw/zinc/32/24/28/193322428.db2.gz GAGSSAZAUDNJBV-UHFFFAOYSA-N 1 0 317.275 2.391 10 0 DEAERO CCCN(CCC)S(=O)(=O)N(CC1CC[NH2+]CC1)C(C)C ZINC000094024148 193339011 /nfs/dbraw/zinc/33/90/11/193339011.db2.gz UBNRFSUBRXIOSY-UHFFFAOYSA-N 1 0 319.515 2.063 10 0 DEAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)Cc1ccccc1 ZINC000094024019 193339050 /nfs/dbraw/zinc/33/90/50/193339050.db2.gz HCNFZQSINZEOLR-UHFFFAOYSA-N 1 0 310.463 2.228 10 0 DEAERO CN1CCN(C)[C@H](c2nc(-c3ccc(C[NH3+])cc3)cs2)C1 ZINC000093896669 193325205 /nfs/dbraw/zinc/32/52/05/193325205.db2.gz LYXMACGIHZUGGE-HNNXBMFYSA-N 1 0 302.447 2.187 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)[C@H]1CN(C)CCN1C ZINC000093894729 193325331 /nfs/dbraw/zinc/32/53/31/193325331.db2.gz KLMNNUVZFXBCAA-LSDHHAIUSA-N 1 0 316.276 2.370 10 0 DEAERO CCC[NH2+][C@H]1CCCc2sc([C@@H]3CN(C)CCN3C)nc21 ZINC000093896270 193325504 /nfs/dbraw/zinc/32/55/04/193325504.db2.gz PRMZQGUWIPVGMH-STQMWFEESA-N 1 0 308.495 2.438 10 0 DEAERO CCC[NH2+][C@H]1CCCc2nc([C@H]3CN(C)CCN3C)sc21 ZINC000093896231 193325631 /nfs/dbraw/zinc/32/56/31/193325631.db2.gz HKMBHALKBLIYEM-GXTWGEPZSA-N 1 0 308.495 2.438 10 0 DEAERO CC[NH2+][C@H](c1ccc(F)c(F)c1F)[C@@H]1CN(CC)CCO1 ZINC000093914682 193328246 /nfs/dbraw/zinc/32/82/46/193328246.db2.gz HHGVZMQQCAAYGW-SWLSCSKDSA-N 1 0 302.340 2.475 10 0 DEAERO CCOc1ccc2nc([C@@]3(C(F)(F)F)CC[NH2+]C3)[nH]c2n1 ZINC000094262386 193355023 /nfs/dbraw/zinc/35/50/23/193355023.db2.gz NTKLGZIDGCBMSJ-GFCCVEGCSA-N 1 0 300.284 2.150 10 0 DEAERO [NH3+]C1(CC(=O)N[C@H]2CCC[C@H](OCC(F)(F)F)C2)CCC1 ZINC000094293710 193356829 /nfs/dbraw/zinc/35/68/29/193356829.db2.gz PUFIHBGJLUAOLP-QWRGUYRKSA-N 1 0 308.344 2.264 10 0 DEAERO CCC(CC)(C[NH2+]C(C)(C)C)CN(C)CCS(C)(=O)=O ZINC000094300398 193357849 /nfs/dbraw/zinc/35/78/49/193357849.db2.gz CWPOIQAQEYKWMQ-UHFFFAOYSA-N 1 0 306.516 2.157 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(F)c(O[C@@H](C)C(=O)N(C)C)c(F)c1 ZINC000094350420 193363708 /nfs/dbraw/zinc/36/37/08/193363708.db2.gz WSHUZLYZWKCSIS-ONGXEEELSA-N 1 0 300.349 2.100 10 0 DEAERO CCC[C@H](C)NC(=O)COc1c(F)cc(C[NH2+]C)cc1F ZINC000094346669 193363753 /nfs/dbraw/zinc/36/37/53/193363753.db2.gz KVQYWWXXCFYENM-JTQLQIEISA-N 1 0 300.349 2.368 10 0 DEAERO CNC(=O)CCOc1c(F)cc(C[NH2+]CC(C)C)cc1F ZINC000094348033 193363777 /nfs/dbraw/zinc/36/37/77/193363777.db2.gz BWVCHXHWLBCAAJ-UHFFFAOYSA-N 1 0 300.349 2.225 10 0 DEAERO COCC[N@H+](C)CCNc1ncc(Br)cc1C ZINC000094050905 193341462 /nfs/dbraw/zinc/34/14/62/193341462.db2.gz MGBPINAPSJPOKE-UHFFFAOYSA-N 1 0 302.216 2.143 10 0 DEAERO [NH3+][C@@H](C[S@](=O)c1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000094625457 193385544 /nfs/dbraw/zinc/38/55/44/193385544.db2.gz UDABKWFYAVNIHB-YEJXKQKISA-N 1 0 307.346 2.362 10 0 DEAERO COc1ccccc1[C@](C)([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094640187 193388594 /nfs/dbraw/zinc/38/85/94/193388594.db2.gz OZZRGJUFWSHNFL-DVOMOZLQSA-N 1 0 311.447 2.473 10 0 DEAERO CCC[NH2+][C@H](C1CCOCC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642642 193388805 /nfs/dbraw/zinc/38/88/05/193388805.db2.gz OYJYHZAUDMDFCE-HRCADAONSA-N 1 0 317.495 2.385 10 0 DEAERO CC(C)([C@H](O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC000094641330 193388895 /nfs/dbraw/zinc/38/88/95/193388895.db2.gz KUAWRUZZGIWMDV-QLFBSQMISA-N 1 0 317.495 2.215 10 0 DEAERO C[NH2+][C@H](C)c1c(C)nn([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1C ZINC000094643987 193390043 /nfs/dbraw/zinc/39/00/43/193390043.db2.gz IMSHDHNJSMPGKM-LERXQTSPSA-N 1 0 313.467 2.309 10 0 DEAERO COCC[NH2+][C@H](C)[C@@H](C)Cc1c(Br)c(C)nn1C ZINC000094656432 193390623 /nfs/dbraw/zinc/39/06/23/193390623.db2.gz XRDCSCLNRDLRJN-VHSXEESVSA-N 1 0 318.259 2.294 10 0 DEAERO Cc1ccc(NS(=O)(=O)Cc2ccc(C[NH3+])cc2)c(C)n1 ZINC000094664997 193390685 /nfs/dbraw/zinc/39/06/85/193390685.db2.gz AXCCFWRJUWVJDD-UHFFFAOYSA-N 1 0 305.403 2.099 10 0 DEAERO COCC[NH2+][C@@H](C)[C@@H](C)Cc1c(Br)c(C)nn1C ZINC000094656434 193391026 /nfs/dbraw/zinc/39/10/26/193391026.db2.gz XRDCSCLNRDLRJN-UWVGGRQHSA-N 1 0 318.259 2.294 10 0 DEAERO Cc1cccc(N2CCN([C@]3(C[NH3+])CS[C@@H](C)C3)CC2)c1 ZINC000094473259 193372277 /nfs/dbraw/zinc/37/22/77/193372277.db2.gz HYCXEYWJXSVGIA-DOTOQJQBSA-N 1 0 305.491 2.340 10 0 DEAERO CC[C@@H]1CN(c2nc(Br)cn3ccnc23)CC[N@@H+]1C ZINC000094491065 193373324 /nfs/dbraw/zinc/37/33/24/193373324.db2.gz VAZQZIJRKORBLZ-SNVBAGLBSA-N 1 0 324.226 2.022 10 0 DEAERO Brc1cn2ccnc2c(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000094489927 193373867 /nfs/dbraw/zinc/37/38/67/193373867.db2.gz RSSWWQFOPLIUHA-SECBINFHSA-N 1 0 322.210 2.140 10 0 DEAERO CC(C)[N@H+](C)CCNc1nc(Br)cn2ccnc12 ZINC000094490507 193373898 /nfs/dbraw/zinc/37/38/98/193373898.db2.gz VRIGIPUOCDDDIY-UHFFFAOYSA-N 1 0 312.215 2.244 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@H](C)C[C@H]([NH3+])C1 ZINC000094550207 193378938 /nfs/dbraw/zinc/37/89/38/193378938.db2.gz QYKQFPAVDFVCPK-SKDRFNHKSA-N 1 0 302.827 2.006 10 0 DEAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094567657 193380613 /nfs/dbraw/zinc/38/06/13/193380613.db2.gz YGEHPTPTHIGSCX-ZYHUDNBSSA-N 1 0 317.216 2.458 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2c3ncsc3ccc2Cl)O1 ZINC000094565876 193380621 /nfs/dbraw/zinc/38/06/21/193380621.db2.gz JVCUKZXTHWOWPK-IONNQARKSA-N 1 0 311.794 2.395 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000094568603 193380860 /nfs/dbraw/zinc/38/08/60/193380860.db2.gz WOINIODMPSXJOK-STQMWFEESA-N 1 0 317.216 2.458 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(Br)ccc1O ZINC000094573695 193381829 /nfs/dbraw/zinc/38/18/29/193381829.db2.gz ZXLNGUNVHLOLSV-MRVPVSSYSA-N 1 0 301.184 2.468 10 0 DEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000094595768 193382494 /nfs/dbraw/zinc/38/24/94/193382494.db2.gz CFYWKCNXAGPUOY-SNVBAGLBSA-N 1 0 301.312 2.112 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNc1nc2ccc(Br)cn2n1 ZINC000094602684 193383820 /nfs/dbraw/zinc/38/38/20/193383820.db2.gz JCCZXDUPNQUKHX-NSHDSACASA-N 1 0 324.226 2.388 10 0 DEAERO CN(c1nc2ccc(Br)cn2n1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000094608854 193384445 /nfs/dbraw/zinc/38/44/45/193384445.db2.gz LUUQEATZAJDHTG-MWLCHTKSSA-N 1 0 324.226 2.055 10 0 DEAERO CCC[NH2+][C@H](c1ccc(Br)o1)[C@@H]1COCCO1 ZINC000094840260 193402780 /nfs/dbraw/zinc/40/27/80/193402780.db2.gz IHBAVQOXRNAHNY-CMPLNLGQSA-N 1 0 304.184 2.498 10 0 DEAERO Cc1cscc1CNS(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000094886956 193405366 /nfs/dbraw/zinc/40/53/66/193405366.db2.gz NZVJIMPGHSRTET-UHFFFAOYSA-N 1 0 314.407 2.133 10 0 DEAERO COc1ncnc2c1[nH]c(=S)n2CCCC[N@H+](C)C(C)C ZINC000094739058 193394785 /nfs/dbraw/zinc/39/47/85/193394785.db2.gz FGGFLMJAHMZKOQ-UHFFFAOYSA-N 1 0 309.439 2.244 10 0 DEAERO C[NH2+][C@@H](Cc1nc(-c2cncc(Br)c2)no1)C1CC1 ZINC000094825676 193401304 /nfs/dbraw/zinc/40/13/04/193401304.db2.gz NNPXGDLQVNQDMB-NSHDSACASA-N 1 0 323.194 2.435 10 0 DEAERO CCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCC2)CN(C)C(=O)C1 ZINC000096113419 193543777 /nfs/dbraw/zinc/54/37/77/193543777.db2.gz BAPJGXLVXKRJJX-GDBMZVCRSA-N 1 0 323.481 2.014 10 0 biogenic DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc2nnc(C(C)(C)C)n2n1 ZINC000274877047 212002974 /nfs/dbraw/zinc/00/29/74/212002974.db2.gz GSZXBFADOGPDML-CYBMUJFWSA-N 1 0 316.453 2.342 10 0 DEAERO CC[NH2+][C@H](Cc1ncnn1C)[C@H](C)Oc1cccc(Cl)c1 ZINC000097275129 193702536 /nfs/dbraw/zinc/70/25/36/193702536.db2.gz GHYSPFRFGZVJJW-SMDDNHRTSA-N 1 0 308.813 2.457 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163477 291551765 /nfs/dbraw/zinc/55/17/65/291551765.db2.gz KAMBKMBYHZOSKK-NWDGAFQWSA-N 1 0 316.854 2.315 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2OC(F)F)C[C@H](C)O1 ZINC000019803236 182151489 /nfs/dbraw/zinc/15/14/89/182151489.db2.gz YTYCUDHPYYWDSF-LOWVWBTDSA-N 1 0 300.349 2.397 10 0 DEAERO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2)CN1C(C)C ZINC000019837077 182155133 /nfs/dbraw/zinc/15/51/33/182155133.db2.gz UUKDAALHSYIWLF-IRXDYDNUSA-N 1 0 303.450 2.072 10 0 DEAERO CCCn1ncc(Br)c1[C@H]([NH2+]C)[C@@H]1CCCO1 ZINC000160283335 197397738 /nfs/dbraw/zinc/39/77/38/197397738.db2.gz PDIIBIDSODRPQH-WDEREUQCSA-N 1 0 302.216 2.495 10 0 DEAERO [NH3+]Cc1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000020009236 182177057 /nfs/dbraw/zinc/17/70/57/182177057.db2.gz IOXCWKSOJWBEQP-UHFFFAOYSA-N 1 0 302.399 2.287 10 0 DEAERO C[C@@H]1CN([C@H](C[NH3+])c2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC000020081640 182185227 /nfs/dbraw/zinc/18/52/27/182185227.db2.gz ZUOUGDPMBANCCL-UHIISALHSA-N 1 0 300.349 2.397 10 0 DEAERO Cc1ccc(CNS(=O)(=O)c2cc(C[NH3+])ccc2C)cc1 ZINC000020189404 182195308 /nfs/dbraw/zinc/19/53/08/182195308.db2.gz UTWYEAIBLUVFLA-UHFFFAOYSA-N 1 0 304.415 2.241 10 0 DEAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC1CCCCCC1 ZINC000454826835 246177923 /nfs/dbraw/zinc/17/79/23/246177923.db2.gz ZFELOGJAQUNOSF-MRXNPFEDSA-N 1 0 324.513 2.282 10 0 DEAERO CN(C(=O)c1cccc(F)c1Br)[C@@H](C[NH3+])C1CC1 ZINC000159863763 197370287 /nfs/dbraw/zinc/37/02/87/197370287.db2.gz NOPSUNSFZQRAKH-NSHDSACASA-N 1 0 315.186 2.398 10 0 DEAERO CC[NH+](CC)CCNC(=O)Cc1csc(-c2ccncc2)n1 ZINC000031868134 182626632 /nfs/dbraw/zinc/62/66/32/182626632.db2.gz WSQSJIDLPXBHEC-UHFFFAOYSA-N 1 0 318.446 2.206 10 0 DEAERO O=C(COC1CC[NH2+]CC1)Nc1ccccc1Br ZINC000037390711 182886325 /nfs/dbraw/zinc/88/63/25/182886325.db2.gz FJQDQMVXGKZWBX-UHFFFAOYSA-N 1 0 313.195 2.156 10 0 DEAERO C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000158555272 291642990 /nfs/dbraw/zinc/64/29/90/291642990.db2.gz HMBHCGFAVVQTKL-RHSMWYFYSA-N 1 0 304.434 2.468 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000136250235 284598355 /nfs/dbraw/zinc/59/83/55/284598355.db2.gz HOOLSVVTOCMACZ-NVXWUHKLSA-N 1 0 311.470 2.055 10 0 DEAERO C[C@H](C[NH2+]Cc1ccc(F)c(Br)c1)[S@@](C)=O ZINC000159809692 197366561 /nfs/dbraw/zinc/36/65/61/197366561.db2.gz MXCUFABDGUYPCP-BCTVWOGZSA-N 1 0 308.216 2.445 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1ccc(F)cc1 ZINC000038106259 182991357 /nfs/dbraw/zinc/99/13/57/182991357.db2.gz YQWTYMUVHWQCSD-CYBMUJFWSA-N 1 0 302.415 2.080 10 0 DEAERO C[C@H]1C[C@@H]1C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000488438622 248797268 /nfs/dbraw/zinc/79/72/68/248797268.db2.gz MFRZAQBZFDLFGL-WMLDXEAASA-N 1 0 322.474 2.358 10 0 DEAERO CC[NH+](CC)CCNC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000175489078 284628500 /nfs/dbraw/zinc/62/85/00/284628500.db2.gz JEFNWVJZSRTCBY-MRXNPFEDSA-N 1 0 311.470 2.461 10 0 DEAERO Cc1csc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)n1 ZINC000040458724 183069172 /nfs/dbraw/zinc/06/91/72/183069172.db2.gz ZQUZYILCGBXTBG-LBPRGKRZSA-N 1 0 300.387 2.441 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2c3ncsc3ccc2Cl)C1 ZINC000040632736 183112062 /nfs/dbraw/zinc/11/20/62/183112062.db2.gz JEDIJPLIOFRBRF-CBAPKCEASA-N 1 0 311.794 2.265 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000040635980 183112609 /nfs/dbraw/zinc/11/26/09/183112609.db2.gz AVVYMRPXTMXIEE-SOUVJXGZSA-N 1 0 308.809 2.380 10 0 DEAERO COc1ccc([C@H](CNC(C)=O)[NH+]2CCCCC2)cc1OC ZINC000040616390 183110042 /nfs/dbraw/zinc/11/00/42/183110042.db2.gz WJNOVSCFOYMDPF-HNNXBMFYSA-N 1 0 306.406 2.367 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)c1ccc(Cl)nn1)c1ccccc1 ZINC000040802326 183135911 /nfs/dbraw/zinc/13/59/11/183135911.db2.gz CFXJPCZJQHXFJW-ZDUSSCGKSA-N 1 0 304.781 2.163 10 0 DEAERO COC(=O)c1sccc1NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000040832904 183139085 /nfs/dbraw/zinc/13/90/85/183139085.db2.gz SNUNLUIFAKALNN-JBLDHEPKSA-N 1 0 308.403 2.394 10 0 DEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc2c1N=S=N2 ZINC000040749807 183128589 /nfs/dbraw/zinc/12/85/89/183128589.db2.gz ZNXZASTXRQKXQE-PBINXNQUSA-N 1 0 324.431 2.056 10 0 DEAERO O=C1CC2(CCCCC2)C(=O)N1c1nc2c(s1)C[NH2+]CC2 ZINC000041157091 183179136 /nfs/dbraw/zinc/17/91/36/183179136.db2.gz YQMFUHBTWJKNAU-UHFFFAOYSA-N 1 0 305.403 2.003 10 0 DEAERO Cc1ccc(-n2nc(C(=O)NCC[NH+](C)C)cc2C2CC2)cc1 ZINC000041453261 183192074 /nfs/dbraw/zinc/19/20/74/183192074.db2.gz FHUZFGOOKIZRMQ-UHFFFAOYSA-N 1 0 312.417 2.350 10 0 DEAERO COc1ccc2c(ncnc2N(C)C2CC[NH+](C)CC2)c1OC ZINC000041475103 183193963 /nfs/dbraw/zinc/19/39/63/183193963.db2.gz VKMRAVDBRNCUJS-UHFFFAOYSA-N 1 0 316.405 2.177 10 0 DEAERO CC1CC(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000681765589 542203876 /nfs/dbraw/zinc/20/38/76/542203876.db2.gz WPPYXMPHKWPDNP-KVWWFHCMSA-N 1 0 316.445 2.128 10 0 DEAERO Cc1nc(C2([NH2+]C(C)C)CCS(=O)(=O)CC2)sc1C ZINC000042333268 183254831 /nfs/dbraw/zinc/25/48/31/183254831.db2.gz UPZHPUHEOYRVRD-UHFFFAOYSA-N 1 0 302.465 2.162 10 0 DEAERO CCN(CCOC)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042318059 183253702 /nfs/dbraw/zinc/25/37/02/183253702.db2.gz PKDMXWZHTOHSIF-VIFPVBQESA-N 1 0 307.257 2.479 10 0 DEAERO CN(Cc1ccc(Br)cc1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042439860 183270592 /nfs/dbraw/zinc/27/05/92/183270592.db2.gz BPCLSKSWEGCODE-TZMCWYRMSA-N 1 0 313.239 2.245 10 0 DEAERO CCN(C[C@H](C)C[NH3+])S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000042441979 183271171 /nfs/dbraw/zinc/27/11/71/183271171.db2.gz NPSSMCKUUFKOAE-SNVBAGLBSA-N 1 0 324.368 2.311 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)cn1C ZINC000042371345 183260784 /nfs/dbraw/zinc/26/07/84/183260784.db2.gz GOAIUJWGOJDJPK-JTQLQIEISA-N 1 0 314.227 2.002 10 0 DEAERO COc1ccc(CC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000042554465 183284165 /nfs/dbraw/zinc/28/41/65/183284165.db2.gz QGGBFNWQBOWCET-KRWDZBQOSA-N 1 0 304.434 2.474 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cn2C2CC2)C1 ZINC000042549389 183284360 /nfs/dbraw/zinc/28/43/60/183284360.db2.gz XUKZGZBDFNXNFW-SNVBAGLBSA-N 1 0 312.211 2.019 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000042951493 183320622 /nfs/dbraw/zinc/32/06/22/183320622.db2.gz AFACGGXLIPEBGU-JMCQJSRRSA-N 1 0 310.810 2.186 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCN(C(C)=O)CC1 ZINC000042975055 183324947 /nfs/dbraw/zinc/32/49/47/183324947.db2.gz GEVINLHCOPPAMS-CVEARBPZSA-N 1 0 309.841 2.283 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CC(=O)N1CCCC1 ZINC000043015469 183327516 /nfs/dbraw/zinc/32/75/16/183327516.db2.gz AWHKBPKHLYISHS-WBMJQRKESA-N 1 0 309.841 2.283 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CC(=O)N1CCCC1 ZINC000043015472 183327713 /nfs/dbraw/zinc/32/77/13/183327713.db2.gz AWHKBPKHLYISHS-BLLLJJGKSA-N 1 0 309.841 2.283 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCC(CC(N)=O)CC1 ZINC000043052455 183332761 /nfs/dbraw/zinc/33/27/61/183332761.db2.gz KMZKRSQAJXOESG-BDJLRTHQSA-N 1 0 309.841 2.316 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCN(C(C)=O)CC1 ZINC000043050947 183332770 /nfs/dbraw/zinc/33/27/70/183332770.db2.gz UQRKHNRFPPAVAE-JKSUJKDBSA-N 1 0 309.841 2.283 10 0 DEAERO CCC[NH2+][C@H](C)c1ccc(NS(=O)(=O)CCOC)cc1 ZINC000042809008 183311086 /nfs/dbraw/zinc/31/10/86/183311086.db2.gz DQDRROUGPTTXAB-GFCCVEGCSA-N 1 0 300.424 2.135 10 0 DEAERO COc1ccccc1[C@H](Sc1nnnn1C1CC1)[C@@H](C)[NH3+] ZINC000043101096 183338068 /nfs/dbraw/zinc/33/80/68/183338068.db2.gz DNNMBNQTVFQBSG-NOZJJQNGSA-N 1 0 305.407 2.197 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1sccc1C)N(C)CC(=O)N1CCCC1 ZINC000043248500 183346969 /nfs/dbraw/zinc/34/69/69/183346969.db2.gz HWPLOMQDTDAMGR-DZGCQCFKSA-N 1 0 309.479 2.389 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N(C)CC(=O)N1CCCC1 ZINC000043242123 183347188 /nfs/dbraw/zinc/34/71/88/183347188.db2.gz HLWJVIBSENESCM-XJKSGUPXSA-N 1 0 309.479 2.389 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N(CC(N)=O)C(C)C ZINC000043253848 183348099 /nfs/dbraw/zinc/34/80/99/183348099.db2.gz DCPYARSVOUEUML-TVQRCGJNSA-N 1 0 303.859 2.376 10 0 DEAERO C[N@@H+]1CCC[C@H]1CCOc1nc2c(cc1C(N)=S)CCC2 ZINC000043409264 183359382 /nfs/dbraw/zinc/35/93/82/183359382.db2.gz OROGDHVVFCXDOV-LBPRGKRZSA-N 1 0 305.447 2.068 10 0 DEAERO [NH3+][C@H](c1cc(Br)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043299756 183351675 /nfs/dbraw/zinc/35/16/75/183351675.db2.gz XLFFUEWUIFDXEZ-CPCISQLKSA-N 1 0 322.199 2.023 10 0 DEAERO C[NH2+][C@@H](c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000043300416 183352484 /nfs/dbraw/zinc/35/24/84/183352484.db2.gz MMIPAHJMZRJOBK-BXKDBHETSA-N 1 0 318.236 2.144 10 0 DEAERO [NH3+][C@H](c1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000043300044 183352737 /nfs/dbraw/zinc/35/27/37/183352737.db2.gz VCLCQEYSXYHCJV-KWQFWETISA-N 1 0 309.309 2.020 10 0 DEAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 ZINC000043301495 183352808 /nfs/dbraw/zinc/35/28/08/183352808.db2.gz YKBHTLVXNSYNCV-HOCLYGCPSA-N 1 0 309.431 2.097 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1nnnn1C1CCCC1)c1cccnc1 ZINC000043351941 183356623 /nfs/dbraw/zinc/35/66/23/183356623.db2.gz WLERLNDMSQDGNV-GWCFXTLKSA-N 1 0 304.423 2.364 10 0 DEAERO Cc1ccc([C@@H](Oc2ccc(S(C)(=O)=O)cc2)[C@@H](C)[NH3+])o1 ZINC000043366990 183357684 /nfs/dbraw/zinc/35/76/84/183357684.db2.gz UJBJXWSZZTXMIH-ABAIWWIYSA-N 1 0 309.387 2.459 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1ccccc1Cl ZINC000043090134 183334962 /nfs/dbraw/zinc/33/49/62/183334962.db2.gz SMXXLSOTSYKTMZ-JMCQJSRRSA-N 1 0 309.826 2.475 10 0 DEAERO CC(C)OC(=O)COc1c(Br)cccc1CC[NH3+] ZINC000043446829 183364208 /nfs/dbraw/zinc/36/42/08/183364208.db2.gz MTHFDAUZDNCSNW-UHFFFAOYSA-N 1 0 316.195 2.281 10 0 DEAERO C[NH2+][C@H]1CCC2(C[C@@H]1N(CC(F)(F)F)C(C)C)OCCO2 ZINC000043984020 183392110 /nfs/dbraw/zinc/39/21/10/183392110.db2.gz AZANDNQEQWDVAW-RYUDHWBXSA-N 1 0 310.360 2.143 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(C(=O)NC)ccc1C ZINC000044181139 183397956 /nfs/dbraw/zinc/39/79/56/183397956.db2.gz OFGLUUXCWGGRDZ-CYBMUJFWSA-N 1 0 320.437 2.206 10 0 DEAERO C[C@H](C[NH2+]Cc1cc(Br)ccc1F)[S@@](C)=O ZINC000159800129 197365428 /nfs/dbraw/zinc/36/54/28/197365428.db2.gz UNVIZYRYJVAGSJ-BCTVWOGZSA-N 1 0 308.216 2.445 10 0 DEAERO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000104866991 194048700 /nfs/dbraw/zinc/04/87/00/194048700.db2.gz BYAHVDHCWSIDGG-CQSZACIVSA-N 1 0 301.365 2.440 10 0 DEAERO COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000104962880 194059140 /nfs/dbraw/zinc/05/91/40/194059140.db2.gz UXOGORLJADCGOT-NSHDSACASA-N 1 0 318.339 2.237 10 0 DEAERO CSCCC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000104925085 194053074 /nfs/dbraw/zinc/05/30/74/194053074.db2.gz SETJGNBGMTTWSS-UHFFFAOYSA-N 1 0 322.474 2.013 10 0 DEAERO CCOc1ccccc1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105176128 194082168 /nfs/dbraw/zinc/08/21/68/194082168.db2.gz JXNQJRDURRLXGV-MRXNPFEDSA-N 1 0 317.433 2.465 10 0 DEAERO Cc1cccc(CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000105214005 194085792 /nfs/dbraw/zinc/08/57/92/194085792.db2.gz WLKXCEZCVIGJLL-QGZVFWFLSA-N 1 0 301.434 2.417 10 0 DEAERO CC[C@@H]1CN(CCc2ccc(OC)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000105826294 194136856 /nfs/dbraw/zinc/13/68/56/194136856.db2.gz NKGJYNLGUOBCMR-NVXWUHKLSA-N 1 0 306.450 2.015 10 0 DEAERO CC[NH2+][C@@H](CSc1nnc(SC)s1)[C@H]1CCOC1 ZINC000159468722 197356168 /nfs/dbraw/zinc/35/61/68/197356168.db2.gz QJAPNIKWWAVCCN-IUCAKERBSA-N 1 0 305.494 2.367 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000105835633 194141966 /nfs/dbraw/zinc/14/19/66/194141966.db2.gz AYZUFCKEABGSEZ-HNNXBMFYSA-N 1 0 319.449 2.188 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000105860111 194148296 /nfs/dbraw/zinc/14/82/96/194148296.db2.gz DUXDQVLVGZNOHQ-HOTGVXAUSA-N 1 0 304.438 2.229 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2cccc(C)c2C)c1 ZINC000105881613 194155448 /nfs/dbraw/zinc/15/54/48/194155448.db2.gz ZTCYTUQIDQFTKP-HNNXBMFYSA-N 1 0 300.406 2.425 10 0 DEAERO Cc1csc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000106429480 194212542 /nfs/dbraw/zinc/21/25/42/194212542.db2.gz LUGHPJNEGFTVQM-AWEZNQCLSA-N 1 0 303.431 2.241 10 0 DEAERO CC1CC[NH+](CCNC(=O)[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000106431821 194213275 /nfs/dbraw/zinc/21/32/75/194213275.db2.gz JDNZULOLQRWZPV-GOSISDBHSA-N 1 0 317.477 2.007 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000246493891 284805910 /nfs/dbraw/zinc/80/59/10/284805910.db2.gz KBAMCKIEIGXMHE-FPCVCCKLSA-N 1 0 323.481 2.364 10 0 DEAERO CC(C)C[C@H](C)OC[C@H](O)C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555612 183741015 /nfs/dbraw/zinc/74/10/15/183741015.db2.gz SEOVMRWTRSLVNT-YESZJQIVSA-N 1 0 302.503 2.364 10 0 DEAERO CC(C)[NH2+]CCS(=O)(=O)N(Cc1ccsc1)C1CC1 ZINC000049644917 183751280 /nfs/dbraw/zinc/75/12/80/183751280.db2.gz NSVSRDMJXAIZRO-UHFFFAOYSA-N 1 0 302.465 2.040 10 0 DEAERO COCC[C@H]([NH3+])C(=O)Nc1ccc(C)c(Br)c1 ZINC000109436529 194263296 /nfs/dbraw/zinc/26/32/96/194263296.db2.gz SCQRMTLJCSAMRD-NSHDSACASA-N 1 0 301.184 2.060 10 0 DEAERO CCCC[C@@H](CC)C(=O)N1CC[NH+]([C@@H](CC)C(N)=S)CC1 ZINC000109461765 194265555 /nfs/dbraw/zinc/26/55/55/194265555.db2.gz GNGWXBRBYBFARS-KGLIPLIRSA-N 1 0 313.511 2.412 10 0 DEAERO C[C@H](C(N)=S)[NH+]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC000109458858 194265875 /nfs/dbraw/zinc/26/58/75/194265875.db2.gz ORQYORWMOBYAAH-CHWSQXEVSA-N 1 0 313.511 2.268 10 0 DEAERO C[C@@H](c1noc(-c2ccc(Cl)cc2F)n1)N1CC[NH2+]CC1 ZINC000109473822 194267751 /nfs/dbraw/zinc/26/77/51/194267751.db2.gz VYYCWTDQSUYQQQ-VIFPVBQESA-N 1 0 310.760 2.495 10 0 DEAERO C[C@H](c1noc(Cc2ccc(Cl)cc2)n1)N1CC[NH2+]CC1 ZINC000109474132 194268297 /nfs/dbraw/zinc/26/82/97/194268297.db2.gz CKQRBSHPLMHSGQ-LLVKDONJSA-N 1 0 306.797 2.280 10 0 DEAERO c1c2ccccc2sc1-c1nc(CN2CC[NH2+]CC2)no1 ZINC000109473520 194268335 /nfs/dbraw/zinc/26/83/35/194268335.db2.gz JAOVVJRXWADQFB-UHFFFAOYSA-N 1 0 300.387 2.357 10 0 DEAERO CCC[C@](C)(C[NH2+]C(C)(C)C)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000051248891 183820826 /nfs/dbraw/zinc/82/08/26/183820826.db2.gz WKEUNOXPTKYELI-GDBMZVCRSA-N 1 0 318.527 2.300 10 0 DEAERO CC[NH2+][C@](C)(CCCCSc1nc(C)cc(C)n1)C(N)=O ZINC000051608456 183832088 /nfs/dbraw/zinc/83/20/88/183832088.db2.gz QBHBAFISGQBZDR-OAHLLOKOSA-N 1 0 310.467 2.209 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C)ccc1OC ZINC000110085466 194309291 /nfs/dbraw/zinc/30/92/91/194309291.db2.gz LTRANRWXKXTDRF-CQSZACIVSA-N 1 0 321.421 2.236 10 0 DEAERO O=S1(=O)CC[C@@H]([C@H](C[NH2+]C2CC2)Cc2ccccc2F)C1 ZINC000052951563 183881556 /nfs/dbraw/zinc/88/15/56/183881556.db2.gz NRCPLAIEOJAAKQ-KGLIPLIRSA-N 1 0 311.422 2.171 10 0 DEAERO CC[NH2+]C[C@H](CCS(=O)(=O)CC)Cc1ccccc1OC ZINC000052980297 183883170 /nfs/dbraw/zinc/88/31/70/183883170.db2.gz LWXKOADNXLEUSK-CQSZACIVSA-N 1 0 313.463 2.288 10 0 DEAERO CC(C)CCCOC[C@@H](O)C[NH2+]C1(CO)CCC(C)CC1 ZINC000053118314 183889061 /nfs/dbraw/zinc/88/90/61/183889061.db2.gz WYWXYZPZYVOPTQ-CGZBRXJRSA-N 1 0 301.471 2.331 10 0 DEAERO COc1cc[nH+]c(N2CCN(c3ccnc(C4CC4)n3)CC2)c1 ZINC000110541355 194338451 /nfs/dbraw/zinc/33/84/51/194338451.db2.gz PUSKHRMWZBEKTB-UHFFFAOYSA-N 1 0 311.389 2.084 10 0 DEAERO C[NH2+][C@H](CCN1CCS(=O)CC1)c1cccc(Cl)c1 ZINC000054019980 183920288 /nfs/dbraw/zinc/92/02/88/183920288.db2.gz FEFXVIZMTRZTHW-CQSZACIVSA-N 1 0 300.855 2.055 10 0 DEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]([NH3+])CCSC ZINC000110777581 194358074 /nfs/dbraw/zinc/35/80/74/194358074.db2.gz VBLCEBPUCSYDNC-JTQLQIEISA-N 1 0 316.448 2.252 10 0 DEAERO Cc1nc(C[NH3+])sc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000110790730 194359452 /nfs/dbraw/zinc/35/94/52/194359452.db2.gz CCHYLDULMWMZLK-UHFFFAOYSA-N 1 0 302.359 2.225 10 0 DEAERO COC(=O)CC[C@@H]([NH3+])Cc1ccc(OC)c(OC)c1Cl ZINC000110829711 194362569 /nfs/dbraw/zinc/36/25/69/194362569.db2.gz KYMOGMSDLXPREP-SNVBAGLBSA-N 1 0 301.770 2.180 10 0 DEAERO Cc1nc([C@]2([NH3+])CCc3cc(Br)ccc3C2)no1 ZINC000110831216 194363029 /nfs/dbraw/zinc/36/30/29/194363029.db2.gz FINQZUFEDHCVNL-ZDUSSCGKSA-N 1 0 308.179 2.483 10 0 DEAERO CCC[NH2+][C@@H](CC)c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C ZINC000054719080 183949054 /nfs/dbraw/zinc/94/90/54/183949054.db2.gz ZALNZONPJATTLA-KBPBESRZSA-N 1 0 313.467 2.310 10 0 DEAERO CS(=O)(=O)c1ccc(Oc2ccc(F)cc2C(N)=[NH2+])cc1 ZINC000111035327 194386630 /nfs/dbraw/zinc/38/66/30/194386630.db2.gz ZGERXFYWJGYPIL-UHFFFAOYSA-N 1 0 308.334 2.306 10 0 DEAERO CN(C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000111157814 194396202 /nfs/dbraw/zinc/39/62/02/194396202.db2.gz ISHFIAQHFMGXRJ-QWRGUYRKSA-N 1 0 317.227 2.400 10 0 DEAERO CCOCC[N@H+](C)CCC[C@](C)(NC(C)C)C(=O)OCC ZINC000157476953 197190238 /nfs/dbraw/zinc/19/02/38/197190238.db2.gz PMVBPTFDXDGPFT-INIZCTEOSA-N 1 0 302.459 2.055 10 0 DEAERO Fc1cc(CN2CCC[N@@H+](C3CC3)CC2)c2c(c1)COCO2 ZINC000061041328 184161018 /nfs/dbraw/zinc/16/10/18/184161018.db2.gz QVYJLQUAZCSQGF-UHFFFAOYSA-N 1 0 306.381 2.362 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2F)cc1 ZINC000061118194 184162702 /nfs/dbraw/zinc/16/27/02/184162702.db2.gz HUNAQGZOTVHRRV-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000061267542 184167310 /nfs/dbraw/zinc/16/73/10/184167310.db2.gz BMFKTMBXPDFGHI-SECBINFHSA-N 1 0 310.419 2.208 10 0 DEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000061300871 184167870 /nfs/dbraw/zinc/16/78/70/184167870.db2.gz CSOVIQMXLVULOK-JTQLQIEISA-N 1 0 313.239 2.494 10 0 DEAERO CCC[NH2+][C@@](C)(CSc1nc2cc(C)ccc2[nH]1)C(N)=O ZINC000061440841 184171064 /nfs/dbraw/zinc/17/10/64/184171064.db2.gz UKRJZEQXTDCSEZ-HNNXBMFYSA-N 1 0 306.435 2.207 10 0 DEAERO CCCn1c(Sc2ccc(C(N)=[NH2+])c(Cl)c2)n[nH]c1=O ZINC000061857058 184190220 /nfs/dbraw/zinc/19/02/20/184190220.db2.gz FPYSUDZMDGHKGK-UHFFFAOYSA-N 1 0 311.798 2.070 10 0 DEAERO CCC[NH2+]CCc1nnc(-c2ccc(Br)cn2)o1 ZINC000061871433 184190324 /nfs/dbraw/zinc/19/03/24/184190324.db2.gz MDLIVCXZXHBZRQ-UHFFFAOYSA-N 1 0 311.183 2.436 10 0 DEAERO CCn1c(S[C@@H](c2cccc(Cl)c2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594442 184176238 /nfs/dbraw/zinc/17/62/38/184176238.db2.gz FOJVBISFTKZYEZ-LDYMZIIASA-N 1 0 312.826 2.425 10 0 DEAERO CCCn1c(S[C@@H](C[NH3+])c2cccc(Cl)c2)n[nH]c1=O ZINC000061594843 184176558 /nfs/dbraw/zinc/17/65/58/184176558.db2.gz HWLWALRODZPIHU-NSHDSACASA-N 1 0 312.826 2.427 10 0 DEAERO O=C(c1ccn(-c2ccccc2)n1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604490 184176882 /nfs/dbraw/zinc/17/68/82/184176882.db2.gz ARFBGICJLBLQMP-UHFFFAOYSA-N 1 0 310.401 2.183 10 0 DEAERO COc1ccc(Br)cc1[C@@H]([NH3+])C[C@H](C)CC(N)=O ZINC000061830211 184188963 /nfs/dbraw/zinc/18/89/63/184188963.db2.gz ZDUJJEUIJNGLAD-KWQFWETISA-N 1 0 315.211 2.359 10 0 DEAERO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH3+])cc1C ZINC000061841262 184189369 /nfs/dbraw/zinc/18/93/69/184189369.db2.gz LQYGBEWENIFHRT-UHFFFAOYSA-N 1 0 304.415 2.241 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)CCCO1 ZINC000061916324 184195089 /nfs/dbraw/zinc/19/50/89/184195089.db2.gz YBNVONLEORGPKC-RISCZKNCSA-N 1 0 300.349 2.399 10 0 DEAERO CC[C@H]1CC[C@H]([NH2+]C)[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061941064 184197197 /nfs/dbraw/zinc/19/71/97/184197197.db2.gz BGKWCNRTJTUAFW-MELADBBJSA-N 1 0 307.404 2.333 10 0 DEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCN(CC(F)(F)F)CC2)o1 ZINC000061940774 184197429 /nfs/dbraw/zinc/19/74/29/184197429.db2.gz QMQORBULLIBWOP-WCQYABFASA-N 1 0 305.344 2.156 10 0 DEAERO C[NH2+][C@H]1CCCCC[C@@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000061947738 184197969 /nfs/dbraw/zinc/19/79/69/184197969.db2.gz MRSHISGUQDKDLR-KGLIPLIRSA-N 1 0 307.404 2.335 10 0 DEAERO C[C@H](c1ccccc1F)N(C)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000062027835 184202293 /nfs/dbraw/zinc/20/22/93/184202293.db2.gz COBTZWTWZCYUQU-CHWSQXEVSA-N 1 0 314.426 2.148 10 0 DEAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)CCCOC)NC(C)C ZINC000062034761 184202844 /nfs/dbraw/zinc/20/28/44/184202844.db2.gz CINOGTLLZGDRFL-MRXNPFEDSA-N 1 0 302.459 2.055 10 0 DEAERO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCCN1Cc1ccccc1F ZINC000062092582 184205364 /nfs/dbraw/zinc/20/53/64/184205364.db2.gz RILMFVSBNWJJEC-INIZCTEOSA-N 1 0 321.440 2.247 10 0 DEAERO COCCC[NH+]1[C@@H](C)CN(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000062090764 184205645 /nfs/dbraw/zinc/20/56/45/184205645.db2.gz IHATVTNBPCRPRS-KBPBESRZSA-N 1 0 308.397 2.397 10 0 DEAERO COC(=O)c1sc2ccccc2c1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062116113 184206404 /nfs/dbraw/zinc/20/64/04/184206404.db2.gz PINCBSLTTMWIQU-VIFPVBQESA-N 1 0 304.371 2.236 10 0 DEAERO COCCN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1c(F)cccc1Cl ZINC000062213714 184222197 /nfs/dbraw/zinc/22/21/97/184222197.db2.gz GPFIHYJXOHVICC-BXUZGUMPSA-N 1 0 300.761 2.116 10 0 DEAERO C[NH2+]Cc1sc(N2CCn3ccnc3C2)nc1C(C)(C)C ZINC000062328098 184231169 /nfs/dbraw/zinc/23/11/69/184231169.db2.gz HXLILDWOGZZVRQ-UHFFFAOYSA-N 1 0 305.451 2.377 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@H](C)O ZINC000062733014 184251276 /nfs/dbraw/zinc/25/12/76/184251276.db2.gz ZJSWEBMYQDBZIU-VIFPVBQESA-N 1 0 308.205 2.489 10 0 DEAERO COCC[NH2+]Cc1ccc(-n2cc(Br)cn2)cc1 ZINC000062738738 184251856 /nfs/dbraw/zinc/25/18/56/184251856.db2.gz MYJGMOZEYOQHRT-UHFFFAOYSA-N 1 0 310.195 2.371 10 0 DEAERO CCO[C@@H](C[NH3+])CN(C)Cc1cccc(Br)c1 ZINC000062739658 184251893 /nfs/dbraw/zinc/25/18/93/184251893.db2.gz XEPYMGIPPKSPNQ-ZDUSSCGKSA-N 1 0 301.228 2.245 10 0 DEAERO CCO[C@H](C[NH3+])CN(C)Cc1csc(Br)c1 ZINC000062739743 184252204 /nfs/dbraw/zinc/25/22/04/184252204.db2.gz QSIOKPVLGISQSM-SNVBAGLBSA-N 1 0 307.257 2.306 10 0 DEAERO CC1(C(=O)NCc2ccccc2Br)CC[NH2+]CC1 ZINC000062841245 184255743 /nfs/dbraw/zinc/25/57/43/184255743.db2.gz XXKUWDLJCPIKER-UHFFFAOYSA-N 1 0 311.223 2.455 10 0 DEAERO CC[C@@]1(C(=O)NCc2ccccc2Br)CC[NH2+]C1 ZINC000062901162 184259025 /nfs/dbraw/zinc/25/90/25/184259025.db2.gz MYNJERGIGLNMIZ-CQSZACIVSA-N 1 0 311.223 2.455 10 0 DEAERO CCOC(=O)CC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000062702812 184247890 /nfs/dbraw/zinc/24/78/90/184247890.db2.gz SYMWILKJECYSIC-UHFFFAOYSA-N 1 0 302.168 2.198 10 0 DEAERO COC(=O)CCC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000062702692 184248205 /nfs/dbraw/zinc/24/82/05/184248205.db2.gz ILQFOURHIGNFRA-UHFFFAOYSA-N 1 0 302.168 2.198 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])cc1F ZINC000063213465 184278534 /nfs/dbraw/zinc/27/85/34/184278534.db2.gz HGIKLYVKUHWUKY-UONOGXRCSA-N 1 0 300.399 2.072 10 0 DEAERO C[C@H]1[NH2+]CCCN(Cc2ccc(Br)s2)C1=O ZINC000063215161 184278767 /nfs/dbraw/zinc/27/87/67/184278767.db2.gz ZZYKFGZPBXQHMF-MRVPVSSYSA-N 1 0 303.225 2.221 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000063213694 184278807 /nfs/dbraw/zinc/27/88/07/184278807.db2.gz HYTOZQLHGOGVDC-QWHCGFSZSA-N 1 0 320.817 2.417 10 0 DEAERO CCNS(=O)(=O)c1ccc(N[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000063214797 184278947 /nfs/dbraw/zinc/27/89/47/184278947.db2.gz WWFQUYLILMRORI-LSDHHAIUSA-N 1 0 311.451 2.057 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000063213696 184279043 /nfs/dbraw/zinc/27/90/43/184279043.db2.gz HYTOZQLHGOGVDC-STQMWFEESA-N 1 0 320.817 2.417 10 0 DEAERO CCC[NH2+]Cc1cc(OC)ccc1OCCCS(C)(=O)=O ZINC000063014293 184266483 /nfs/dbraw/zinc/26/64/83/184266483.db2.gz UXPXUQXZAMDXRW-UHFFFAOYSA-N 1 0 315.435 2.008 10 0 DEAERO CS(=O)(=O)CCCOc1ccc(Cl)cc1C[NH2+]C1CC1 ZINC000063014324 184266507 /nfs/dbraw/zinc/26/65/07/184266507.db2.gz PEVBHZHSEMPUFB-UHFFFAOYSA-N 1 0 317.838 2.406 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000063016814 184266885 /nfs/dbraw/zinc/26/68/85/184266885.db2.gz XXMZVBAHXWBPOV-LBPRGKRZSA-N 1 0 320.252 2.144 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)Cc1csc(C)n1 ZINC000063017359 184267163 /nfs/dbraw/zinc/26/71/63/184267163.db2.gz CAXNNXDAZNVTHZ-GFCCVEGCSA-N 1 0 304.481 2.187 10 0 DEAERO CS(=O)(=O)c1ccc(S[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000063131521 184272177 /nfs/dbraw/zinc/27/21/77/184272177.db2.gz JKKCLJUDQPAOTJ-JTQLQIEISA-N 1 0 313.366 2.462 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1F ZINC000063168889 184275608 /nfs/dbraw/zinc/27/56/08/184275608.db2.gz OYFBRGXKENASKV-GFCCVEGCSA-N 1 0 313.804 2.492 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000063175826 184276587 /nfs/dbraw/zinc/27/65/87/184276587.db2.gz GGEREEBUWAXNRJ-ZJUUUORDSA-N 1 0 309.218 2.152 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000063176011 184276673 /nfs/dbraw/zinc/27/66/73/184276673.db2.gz OVHOBPUVVMNWEX-VHSXEESVSA-N 1 0 309.218 2.152 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1cn(C)c2ncccc12 ZINC000065156015 184312776 /nfs/dbraw/zinc/31/27/76/184312776.db2.gz CMFSOCBZPKIDMF-CQSZACIVSA-N 1 0 314.433 2.106 10 0 DEAERO COC(=O)C[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1Cl ZINC000066148393 184393043 /nfs/dbraw/zinc/39/30/43/184393043.db2.gz HYKNOHDRTPTWDK-SECBINFHSA-N 1 0 301.770 2.398 10 0 DEAERO CN(C)C(=O)CCc1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1 ZINC000066212443 184397165 /nfs/dbraw/zinc/39/71/65/184397165.db2.gz ZRMNAFDDYLUITK-UHFFFAOYSA-N 1 0 305.422 2.034 10 0 DEAERO CCC[NH2+]Cc1ccc(OC)cc1OC[C@H](O)C(F)(F)F ZINC000068877041 184498558 /nfs/dbraw/zinc/49/85/58/184498558.db2.gz JTALRWQBGLLCNF-ZDUSSCGKSA-N 1 0 307.312 2.497 10 0 DEAERO CC1(C)C[NH2+]CCN1c1ccccc1S(=O)(=O)C(F)(F)F ZINC000113210626 194563871 /nfs/dbraw/zinc/56/38/71/194563871.db2.gz AXWCVFYERSGIOV-UHFFFAOYSA-N 1 0 322.352 2.168 10 0 DEAERO C[NH+](C)C1(CNC(=O)c2cccc3ncccc32)CCOCC1 ZINC000113990867 194625243 /nfs/dbraw/zinc/62/52/43/194625243.db2.gz CBHUUERDQDIWNM-UHFFFAOYSA-N 1 0 313.401 2.075 10 0 DEAERO Cn1ccc(C[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)n1 ZINC000536836090 284977947 /nfs/dbraw/zinc/97/79/47/284977947.db2.gz QMZPYCNEUGTLGA-UHFFFAOYSA-N 1 0 310.401 2.342 10 0 DEAERO C/C(=C/C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000116787317 194770385 /nfs/dbraw/zinc/77/03/85/194770385.db2.gz LLYOSNFJEVOEQY-IVOILVROSA-N 1 0 306.381 2.018 10 0 DEAERO O=C1[C@H]([NH2+][C@H]2CCCc3ccccc32)CCN1C1CCOCC1 ZINC000358190448 285005237 /nfs/dbraw/zinc/00/52/37/285005237.db2.gz NXMMTRVINIUMAN-ZWKOTPCHSA-N 1 0 314.429 2.434 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Cc1ccccc1OC(F)F ZINC000538317063 285032051 /nfs/dbraw/zinc/03/20/51/285032051.db2.gz XUUAKLPAHXUHDI-UHFFFAOYSA-N 1 0 300.349 2.241 10 0 DEAERO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000119664709 195012095 /nfs/dbraw/zinc/01/20/95/195012095.db2.gz LJPTWPVWJAJBFV-DZGCQCFKSA-N 1 0 300.406 2.358 10 0 DEAERO Cc1cncc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000119666298 195012898 /nfs/dbraw/zinc/01/28/98/195012898.db2.gz WMYRHYHOBOWRDS-UHFFFAOYSA-N 1 0 316.449 2.407 10 0 DEAERO COc1cc(OC)cc([C@H]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000119792603 195038048 /nfs/dbraw/zinc/03/80/48/195038048.db2.gz CZMGRAQSGUTQPD-KGLIPLIRSA-N 1 0 318.417 2.019 10 0 DEAERO COc1nc(C(=O)N(C)CCC[NH+](C)C)cc2ccccc21 ZINC000539418540 285076678 /nfs/dbraw/zinc/07/66/78/285076678.db2.gz HCHFAMFZROLIIU-UHFFFAOYSA-N 1 0 301.390 2.267 10 0 DEAERO [NH3+][C@H](C[S@](=O)c1ccc2c(c1)OCCCO2)C1CCCC1 ZINC000159164583 197331934 /nfs/dbraw/zinc/33/19/34/197331934.db2.gz LSNPVZVRJOTSIY-SPLOXXLWSA-N 1 0 309.431 2.473 10 0 DEAERO CCCNS(=O)(=O)c1cc(C)c(F)c(C[NH2+]CCC)c1 ZINC000159078057 197325227 /nfs/dbraw/zinc/32/52/27/197325227.db2.gz MPEDOVACXHDDCE-UHFFFAOYSA-N 1 0 302.415 2.322 10 0 DEAERO Cc1cc(S(=O)(=O)NC2CCCCC2)cc(C[NH3+])c1F ZINC000159076859 197324734 /nfs/dbraw/zinc/32/47/34/197324734.db2.gz UQVZUIQJLFQTSR-UHFFFAOYSA-N 1 0 300.399 2.204 10 0 DEAERO CC[C@H]1CCCN1S(=O)(=O)c1cc(C)c(F)c(C[NH2+]C)c1 ZINC000159075346 197324423 /nfs/dbraw/zinc/32/44/23/197324423.db2.gz VDRYRSKXVSHVKL-ZDUSSCGKSA-N 1 0 314.426 2.417 10 0 DEAERO CCC(CC)N(C)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159072242 197324448 /nfs/dbraw/zinc/32/44/48/197324448.db2.gz ZJVHBMFQHYKPSY-UHFFFAOYSA-N 1 0 302.415 2.402 10 0 DEAERO CCCN(C)S(=O)(=O)c1cc(C)c(F)c(C[NH2+]CC)c1 ZINC000159064270 197323321 /nfs/dbraw/zinc/32/33/21/197323321.db2.gz JJGHQTSEWGBTAY-UHFFFAOYSA-N 1 0 302.415 2.274 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)c1cc(F)ccc1F ZINC000158994096 197316950 /nfs/dbraw/zinc/31/69/50/197316950.db2.gz CSEVTYVLVQPCOI-ZWNOBZJWSA-N 1 0 318.389 2.021 10 0 DEAERO CC[C@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)c1cc(F)ccc1F ZINC000158994227 197317089 /nfs/dbraw/zinc/31/70/89/197317089.db2.gz CSEVTYVLVQPCOI-GXFFZTMASA-N 1 0 318.389 2.021 10 0 DEAERO C[C@@H]([C@H](O)c1c(Br)cnn1CC[NH+](C)C)C1CC1 ZINC000158856218 197306525 /nfs/dbraw/zinc/30/65/25/197306525.db2.gz AURLOYXPMFCPMH-RNCFNFMXSA-N 1 0 316.243 2.287 10 0 DEAERO Cc1cc([C@H](C[NH3+])N(C)[C@@H]2CCOC2)ccc1Br ZINC000158668757 197292754 /nfs/dbraw/zinc/29/27/54/197292754.db2.gz YLBLCRCKOTTXAM-OCCSQVGLSA-N 1 0 313.239 2.478 10 0 DEAERO CC[NH2+][C@@H](C[C@H]1CCCO1)c1c(Br)cnn1C ZINC000158656946 197291832 /nfs/dbraw/zinc/29/18/32/197291832.db2.gz HXMSRDJNQPOQPE-KOLCDFICSA-N 1 0 302.216 2.402 10 0 DEAERO CCc1ccsc1[C@@H](O)c1c(OC)cnn1CC[NH+](C)C ZINC000158765388 197300436 /nfs/dbraw/zinc/30/04/36/197300436.db2.gz RQGNKDUSINVKSZ-AWEZNQCLSA-N 1 0 309.435 2.159 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)c1ccc(C)cc1)[C@H]1CCOC1 ZINC000158725295 197297378 /nfs/dbraw/zinc/29/73/78/197297378.db2.gz WVIDRLKQVOXQHP-HOCLYGCPSA-N 1 0 311.447 2.173 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)[C@@H]1CCOC1 ZINC000158731109 197296644 /nfs/dbraw/zinc/29/66/44/197296644.db2.gz OJNUVCHBUKRZMB-ZBFHGGJFSA-N 1 0 311.447 2.092 10 0 DEAERO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(F)cc1 ZINC000157829643 197218260 /nfs/dbraw/zinc/21/82/60/197218260.db2.gz PFEQOABGKSXIAS-SJORKVTESA-N 1 0 324.440 2.196 10 0 DEAERO OC[C@]1(Cc2cccc(F)c2Br)CCC[NH2+]C1 ZINC000157874753 197222736 /nfs/dbraw/zinc/22/27/36/197222736.db2.gz QSOJXNHSWFPAPJ-ZDUSSCGKSA-N 1 0 302.187 2.493 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)c2ccc3nc(N)sc3c2)CC[N@@H+]1C ZINC000157826261 197219087 /nfs/dbraw/zinc/21/90/87/197219087.db2.gz MQVQJNQEKFVCQO-ONGXEEELSA-N 1 0 304.419 2.091 10 0 DEAERO C[C@](F)(Cc1ccc(Br)cn1)C[C@H]1COCC[NH2+]1 ZINC000157601971 197201004 /nfs/dbraw/zinc/20/10/04/197201004.db2.gz JNTLVLWCHUDFRX-STQMWFEESA-N 1 0 317.202 2.493 10 0 DEAERO [NH3+][C@H]1C[C@@H](N2CCN(c3nccs3)CC2)c2ccccc21 ZINC000157503147 197192148 /nfs/dbraw/zinc/19/21/48/197192148.db2.gz UJKFWYULYACIRV-LSDHHAIUSA-N 1 0 300.431 2.410 10 0 DEAERO CCCN[C@](C)(C[C@H](C)[N@H+](C)CCOC(C)C)C(=O)OC ZINC000157519703 197193093 /nfs/dbraw/zinc/19/30/93/197193093.db2.gz LYSJRTPJOGAICI-GOEBONIOSA-N 1 0 302.459 2.053 10 0 DEAERO CCCNc1nc(Cl)nc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000157372519 197182483 /nfs/dbraw/zinc/18/24/83/197182483.db2.gz OIWYBMBOFBVKJD-LLVKDONJSA-N 1 0 310.833 2.021 10 0 DEAERO C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)[C@H]1C[NH3+] ZINC000252091312 296398426 /nfs/dbraw/zinc/39/84/26/296398426.db2.gz DRTGQCNPQXTKJK-SKDRFNHKSA-N 1 0 320.817 2.227 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)CN1CCOCC1 ZINC000156743914 197137536 /nfs/dbraw/zinc/13/75/36/197137536.db2.gz YHGUMSBUDQAYQY-ZIAGYGMSSA-N 1 0 308.470 2.318 10 0 DEAERO C[NH2+]C[C@H]1CCCN1Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000156653967 197129679 /nfs/dbraw/zinc/12/96/79/197129679.db2.gz XUXYUBMPJJVPME-LLVKDONJSA-N 1 0 305.451 2.074 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(F)c2Br)C1 ZINC000156553391 197122530 /nfs/dbraw/zinc/12/25/30/197122530.db2.gz BUUMKTIZQVTLEX-MRVPVSSYSA-N 1 0 301.159 2.022 10 0 DEAERO Cc1cc(Br)ccc1OCC1(O)CC[NH2+]CC1 ZINC000156583592 197125553 /nfs/dbraw/zinc/12/55/53/197125553.db2.gz DIRINAYIPJPKQS-UHFFFAOYSA-N 1 0 300.196 2.251 10 0 DEAERO COC(=O)c1sccc1NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000156124835 197088218 /nfs/dbraw/zinc/08/82/18/197088218.db2.gz ZUDGVJXADCDVGQ-QWRGUYRKSA-N 1 0 310.419 2.499 10 0 DEAERO [NH3+]Cc1ccc([C@H](O)C[S@](=O)c2cc(F)ccc2F)cc1 ZINC000156006883 197080288 /nfs/dbraw/zinc/08/02/88/197080288.db2.gz KUPXKXFVHRUHCP-SPLOXXLWSA-N 1 0 311.353 2.265 10 0 DEAERO CC(C)C[C@@](C)(C[NH3+])Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000155933317 197076129 /nfs/dbraw/zinc/07/61/29/197076129.db2.gz XRYBVSGUKJGMBT-HNNXBMFYSA-N 1 0 313.467 2.112 10 0 DEAERO COc1ccc([S@](=O)CCOc2ccc(C[NH3+])cc2)cc1 ZINC000155944723 197076147 /nfs/dbraw/zinc/07/61/47/197076147.db2.gz TYHCYSWTUZRXDP-NRFANRHFSA-N 1 0 305.399 2.341 10 0 DEAERO CCOc1ccccc1OCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155607245 197070984 /nfs/dbraw/zinc/07/09/84/197070984.db2.gz TVJMXHHEWHKMLF-LSDHHAIUSA-N 1 0 320.433 2.309 10 0 DEAERO CCCC1(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCC1 ZINC000155317758 197042911 /nfs/dbraw/zinc/04/29/11/197042911.db2.gz RSCOHHXJMVILIN-OAHLLOKOSA-N 1 0 311.470 2.103 10 0 DEAERO C[C@@H](NC(=O)[C@H]1CCCN1c1nccs1)C(C)(C)C[NH+](C)C ZINC000155074425 197019334 /nfs/dbraw/zinc/01/93/34/197019334.db2.gz KYFLOJXOEWKXGO-CHWSQXEVSA-N 1 0 324.494 2.204 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1cccc(O)c1 ZINC000155022448 197013948 /nfs/dbraw/zinc/01/39/48/197013948.db2.gz RNMRLKQYFOJWFZ-GUFYHEMZSA-N 1 0 300.402 2.491 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)NCCCCN(C)c1ccccc1 ZINC000542711550 285245213 /nfs/dbraw/zinc/24/52/13/285245213.db2.gz KGNKVORSNOGGJL-UHFFFAOYSA-N 1 0 320.481 2.496 10 0 DEAERO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3F)CC2)cn1 ZINC000120484075 195174773 /nfs/dbraw/zinc/17/47/73/195174773.db2.gz NHTGUEKQRKQKPT-UHFFFAOYSA-N 1 0 320.387 2.406 10 0 DEAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1cccc(CC)c1 ZINC000120516152 195181344 /nfs/dbraw/zinc/18/13/44/195181344.db2.gz LSVMDYGJNYHXNB-KRWDZBQOSA-N 1 0 306.450 2.265 10 0 DEAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)Cc1c(C)nn(C)c1C ZINC000120714709 195223258 /nfs/dbraw/zinc/22/32/58/195223258.db2.gz XGKMUZWGRMCZDX-STQMWFEESA-N 1 0 308.470 2.205 10 0 DEAERO Cc1cc(C(=O)N2Cc3cncn3[C@@H](C[NH+](C)C)C2)sc1C ZINC000248112285 257109435 /nfs/dbraw/zinc/10/94/35/257109435.db2.gz KKSSBJALEVANHP-AWEZNQCLSA-N 1 0 318.446 2.320 10 0 DEAERO Cc1nnc(C[C@@]23COC[C@@H]2C[N@H+](Cc2cccs2)C3)o1 ZINC000247989904 257111628 /nfs/dbraw/zinc/11/16/28/257111628.db2.gz AEKNTLSZLVHTHK-SWLSCSKDSA-N 1 0 305.403 2.131 10 0 DEAERO C(OC[C@]12CCO[C@H]1CC[N@@H+](C1CCC1)C2)C1CCOCC1 ZINC000247836903 257116084 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COC(=O)[C@@H](C)Oc1ccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261683092 145216245 /nfs/dbraw/zinc/21/62/45/145216245.db2.gz KBQNGWVPUXMMCI-CZUORRHYSA-N 1 0 320.433 2.186 10 0 DEAERO COc1cc(F)c(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261687016 145217248 /nfs/dbraw/zinc/21/72/48/145217248.db2.gz CYFQSURAKQXYEU-AWEZNQCLSA-N 1 0 310.369 2.042 10 0 DEAERO CC(C)CO[C@H](C)c1noc(CN(C)C[C@@]2(C)CC[NH2+]C2)n1 ZINC000261705554 145218442 /nfs/dbraw/zinc/21/84/42/145218442.db2.gz CYTVSTDPYKLDMD-CJNGLKHVSA-N 1 0 310.442 2.235 10 0 DEAERO Cc1cc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])n(Cc2ccccn2)n1 ZINC000261712786 145219051 /nfs/dbraw/zinc/21/90/51/145219051.db2.gz JJGSTCDYGHXMPW-DZGCQCFKSA-N 1 0 313.405 2.091 10 0 DEAERO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261715615 145219897 /nfs/dbraw/zinc/21/98/97/145219897.db2.gz MWCLLKUPUMEGMG-XJKSGUPXSA-N 1 0 321.440 2.232 10 0 DEAERO C[C@H]([NH3+])CC(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000261745634 145222051 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CC(C)c1nc([C@@H]2CCCN2C(=O)CC[C@@H]2CC[NH2+]C2)no1 ZINC000261847426 145233210 /nfs/dbraw/zinc/23/32/10/145233210.db2.gz OLELELXFEHYUBC-OLZOCXBDSA-N 1 0 306.410 2.246 10 0 DEAERO CC(C)[C@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261852100 145233900 /nfs/dbraw/zinc/23/39/00/145233900.db2.gz BGCZVCUDODFVNU-WCXIOVBPSA-N 1 0 318.465 2.054 10 0 DEAERO CCCN(CC(=O)N[C@H](C)c1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000261865939 145235266 /nfs/dbraw/zinc/23/52/66/145235266.db2.gz GMGVGQOEQSLQEY-CZUORRHYSA-N 1 0 307.413 2.077 10 0 DEAERO CN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261864346 145235732 /nfs/dbraw/zinc/23/57/32/145235732.db2.gz KRQIHGCAELIESA-XJKSGUPXSA-N 1 0 318.417 2.063 10 0 DEAERO CCc1ccc(C(=O)N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261874035 145235986 /nfs/dbraw/zinc/23/59/86/145235986.db2.gz PKMDIDVQFYDBJU-LJQANCHMSA-N 1 0 315.461 2.006 10 0 DEAERO Cc1ccccc1C[C@@H](C)NC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261875544 145236121 /nfs/dbraw/zinc/23/61/21/145236121.db2.gz UBTUEXJYGQYXTF-NVXWUHKLSA-N 1 0 317.477 2.101 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1Cl ZINC000261869875 145236385 /nfs/dbraw/zinc/23/63/85/145236385.db2.gz SVWXWTKMYIYIFK-CYBMUJFWSA-N 1 0 316.854 2.396 10 0 DEAERO COc1ccc(C(=O)CCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261876648 145236801 /nfs/dbraw/zinc/23/68/01/145236801.db2.gz OSBILRDMRNPPGR-MRXNPFEDSA-N 1 0 318.417 2.244 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCc1cccc(F)c1 ZINC000261876651 145236984 /nfs/dbraw/zinc/23/69/84/145236984.db2.gz LYFSNGYGWRJNLR-DAYGRLMNSA-N 1 0 320.408 2.017 10 0 DEAERO CN(Cc1csc2ccccc12)C(=O)C1([NH3+])CCOCC1 ZINC000261883043 145237005 /nfs/dbraw/zinc/23/70/05/145237005.db2.gz PMROFGBHYUIAAV-UHFFFAOYSA-N 1 0 304.415 2.368 10 0 DEAERO [NH3+][C@@H](C(=O)Nc1cc(C2CCCCC2)[nH]n1)C1CCOCC1 ZINC000261916761 145241465 /nfs/dbraw/zinc/24/14/65/145241465.db2.gz YEBHJEDUOPRFBH-OAHLLOKOSA-N 1 0 306.410 2.150 10 0 DEAERO C[C@]1(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC000261929163 145243245 /nfs/dbraw/zinc/24/32/45/145243245.db2.gz COXBLQUFPAYCFH-KRWDZBQOSA-N 1 0 321.852 2.097 10 0 DEAERO [NH3+][C@H](C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F)C1CCOCC1 ZINC000261940369 145244816 /nfs/dbraw/zinc/24/48/16/145244816.db2.gz JHRRVEQQQINXQZ-XQQFMLRXSA-N 1 0 322.371 2.225 10 0 DEAERO CCc1ccc(C(C)(C)CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261943582 145244912 /nfs/dbraw/zinc/24/49/12/145244912.db2.gz XYCGYIIXWUHJPL-UHFFFAOYSA-N 1 0 304.434 2.151 10 0 DEAERO COCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261941010 145245074 /nfs/dbraw/zinc/24/50/74/145245074.db2.gz MUQMMLHMTHWPAR-KURKYZTESA-N 1 0 304.434 2.080 10 0 DEAERO CCOC(=O)[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)Cc2ccccc21 ZINC000261952008 145246566 /nfs/dbraw/zinc/24/65/66/145246566.db2.gz GCESDWGJIYXYEM-AEFFLSMTSA-N 1 0 302.418 2.149 10 0 DEAERO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261956729 145246889 /nfs/dbraw/zinc/24/68/89/145246889.db2.gz IZLKRYGYXYWHHG-GDBMZVCRSA-N 1 0 317.433 2.482 10 0 DEAERO CC(C)C(=O)Nc1ccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261963668 145247492 /nfs/dbraw/zinc/24/74/92/145247492.db2.gz LBQMXTBRXCJHBZ-OAHLLOKOSA-N 1 0 317.433 2.481 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000261971969 145248351 /nfs/dbraw/zinc/24/83/51/145248351.db2.gz QFLHHNLWQNIEBH-IPYPFGDCSA-N 1 0 307.413 2.062 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCOCC1 ZINC000262065155 145258055 /nfs/dbraw/zinc/25/80/55/145258055.db2.gz FIGMKNZJCBSSOR-UHFFFAOYSA-N 1 0 304.390 2.454 10 0 DEAERO CCO[C@H]1C[C@@](N)(c2nc(-c3ccc(C[NH3+])cc3)no2)C1(C)C ZINC000262070037 145259345 /nfs/dbraw/zinc/25/93/45/145259345.db2.gz RYXPVCVNYWXSEK-SUMWQHHRSA-N 1 0 316.405 2.184 10 0 DEAERO CN(C[C@@H](c1cccs1)N1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262100166 145261514 /nfs/dbraw/zinc/26/15/14/145261514.db2.gz VNDUNXHVQZKWJK-RDJZCZTQSA-N 1 0 323.506 2.053 10 0 DEAERO CC1CCN(C(=[NH2+])NCc2nccn2CC(F)(F)F)CC1 ZINC000262113476 145263159 /nfs/dbraw/zinc/26/31/59/145263159.db2.gz KUJHZJYEDNXFBS-UHFFFAOYSA-N 1 0 303.332 2.202 10 0 DEAERO C[C@H]1CCC[C@@H](CCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262281451 145273842 /nfs/dbraw/zinc/27/38/42/145273842.db2.gz NYWODAJYNSXIBQ-HOTGVXAUSA-N 1 0 318.465 2.294 10 0 DEAERO C[C@H](C[NH3+])C(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000262325578 145276558 /nfs/dbraw/zinc/27/65/58/145276558.db2.gz FYEHXLCRVVRZOV-OLZOCXBDSA-N 1 0 309.841 2.140 10 0 DEAERO COc1cccc(C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262386022 145280924 /nfs/dbraw/zinc/28/09/24/145280924.db2.gz OQEZKNLJURRCFR-KBPBESRZSA-N 1 0 304.434 2.477 10 0 DEAERO Cc1csc([C@H](C)NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)n1 ZINC000262430871 145283471 /nfs/dbraw/zinc/28/34/71/145283471.db2.gz FVFSPKVCQPMUNZ-XSUJLISDSA-N 1 0 323.462 2.161 10 0 DEAERO CC[NH2+][C@H](C)CNC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000262431482 145283520 /nfs/dbraw/zinc/28/35/20/145283520.db2.gz FGSNHUFRENFFOO-LLVKDONJSA-N 1 0 305.353 2.137 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)CC[NH2+]1 ZINC000262443147 145284443 /nfs/dbraw/zinc/28/44/43/145284443.db2.gz TVPVRNMDXMEMLX-UBHSHLNASA-N 1 0 318.421 2.041 10 0 DEAERO CC(C)(C)c1nnc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)s1 ZINC000262459492 145285026 /nfs/dbraw/zinc/28/50/26/145285026.db2.gz JESCANZGMHGTTF-TUAOUCFPSA-N 1 0 322.478 2.373 10 0 DEAERO CCc1noc(CC)c1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262469636 145285648 /nfs/dbraw/zinc/28/56/48/145285648.db2.gz NHLVYZOOKZDOKP-GLQYFDAESA-N 1 0 305.422 2.336 10 0 DEAERO C[C@@H](C[NH3+])C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000262508452 145289002 /nfs/dbraw/zinc/28/90/02/145289002.db2.gz JIYUYGAVPWIIFC-GWCFXTLKSA-N 1 0 316.323 2.200 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1cccc(Cl)c1 ZINC000262537324 145291381 /nfs/dbraw/zinc/29/13/81/145291381.db2.gz QMLSSGFYHNOWSA-JJRVBVJISA-N 1 0 322.836 2.489 10 0 DEAERO CCOc1ccccc1NC(=O)CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000262570202 145294350 /nfs/dbraw/zinc/29/43/50/145294350.db2.gz XJTMVNKZMHCWEZ-KBPBESRZSA-N 1 0 305.422 2.083 10 0 DEAERO COc1ccc(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c(OC)c1 ZINC000262587088 145295728 /nfs/dbraw/zinc/29/57/28/145295728.db2.gz ZWHTWMSVWJNOBZ-DOMZBBRYSA-N 1 0 306.406 2.228 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])nc21 ZINC000262618112 145296726 /nfs/dbraw/zinc/29/67/26/145296726.db2.gz IDOWCHIDMMFRNU-UONOGXRCSA-N 1 0 314.433 2.438 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000262759939 145303633 /nfs/dbraw/zinc/30/36/33/145303633.db2.gz JECOMFVROFADIM-CZUORRHYSA-N 1 0 310.463 2.161 10 0 DEAERO Cc1noc(C2CCC(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)n1 ZINC000263168129 145331598 /nfs/dbraw/zinc/33/15/98/145331598.db2.gz FJLUDIFEHBYTMD-TXBNBULBSA-N 1 0 320.437 2.428 10 0 DEAERO C[C@@H](O)C1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000304249045 145340003 /nfs/dbraw/zinc/34/00/03/145340003.db2.gz BBGAHSOFWRBWIM-CQSZACIVSA-N 1 0 311.470 2.053 10 0 DEAERO C[C@H]1C[C@@H](NCc2ncc(Br)s2)CC[N@@H+]1C ZINC000309762982 145350193 /nfs/dbraw/zinc/35/01/93/145350193.db2.gz JCDKLPGOYAWAGM-IUCAKERBSA-N 1 0 304.257 2.478 10 0 DEAERO CN(C(=O)c1ccc(Br)o1)[C@@H]1C[NH+]2CCC1CC2 ZINC000310786321 145353431 /nfs/dbraw/zinc/35/34/31/145353431.db2.gz AGGSRFRPIXFXKJ-SNVBAGLBSA-N 1 0 313.195 2.208 10 0 DEAERO C[C@@H](C(=O)NCc1cccs1)N1CCC[C@H](n2cccn2)C1 ZINC000332708446 145386572 /nfs/dbraw/zinc/38/65/72/145386572.db2.gz CDOVMTCVKSTYKW-KBPBESRZSA-N 1 0 318.446 2.286 10 0 DEAERO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCCCO1 ZINC000332825994 145388935 /nfs/dbraw/zinc/38/89/35/145388935.db2.gz KJUWWPUEGXJWAC-MOTUXRJWSA-N 1 0 309.454 2.259 10 0 DEAERO c1cn(CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)nn1 ZINC000346872354 146156908 /nfs/dbraw/zinc/15/69/08/146156908.db2.gz XZJGCQVOAWVTSD-NVXWUHKLSA-N 1 0 300.406 2.426 10 0 DEAERO C[C@H]1CN(Cc2ncc(Br)s2)C[C@@H]1[NH+](C)C ZINC000349282329 146365576 /nfs/dbraw/zinc/36/55/76/146365576.db2.gz PUBCEIQSMUZQMX-IUCAKERBSA-N 1 0 304.257 2.288 10 0 DEAERO Brc1cnc(C[NH2+][C@H]2CCc3nc[nH]c3C2)s1 ZINC000565333704 292154870 /nfs/dbraw/zinc/15/48/70/292154870.db2.gz ZRPORNLWCZYBMK-ZETCQYMHSA-N 1 0 313.224 2.276 10 0 DEAERO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000357056629 147032361 /nfs/dbraw/zinc/03/23/61/147032361.db2.gz SLBXDLLDUJIRKH-OSAQELSMSA-N 1 0 306.356 2.421 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000358649941 147173293 /nfs/dbraw/zinc/17/32/93/147173293.db2.gz OMWSDIZPVFBILZ-IRXDYDNUSA-N 1 0 322.497 2.010 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@](C)(O)CCC(C)C)CC1 ZINC000358652109 147174000 /nfs/dbraw/zinc/17/40/00/147174000.db2.gz SCFQSFVMQXJOEF-QGZVFWFLSA-N 1 0 311.470 2.125 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCC(C(F)F)CC2)CC1 ZINC000358652747 147174596 /nfs/dbraw/zinc/17/45/96/147174596.db2.gz SYFFBUNIHPBEHF-UHFFFAOYSA-N 1 0 301.381 2.325 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCn3cccc3[C@@H]2C)CC1 ZINC000358669919 147178350 /nfs/dbraw/zinc/17/83/50/147178350.db2.gz SDAMAXVQMPOBJI-HNNXBMFYSA-N 1 0 302.422 2.226 10 0 DEAERO Cn1ccc([C@H](NCC[NH+]2CCCC2)c2ccc(F)cc2)n1 ZINC000359224707 147286345 /nfs/dbraw/zinc/28/63/45/147286345.db2.gz FOCVRHOWQCFKEF-QGZVFWFLSA-N 1 0 302.397 2.334 10 0 DEAERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Cn1nc(C)cc1C)c1ccco1 ZINC000359536785 147346449 /nfs/dbraw/zinc/34/64/49/147346449.db2.gz KOZSZTROZKRKQC-DOMZBBRYSA-N 1 0 318.421 2.339 10 0 DEAERO O=C([C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1)N1CCCC1 ZINC000370683831 148044401 /nfs/dbraw/zinc/04/44/01/148044401.db2.gz WPZTZZMRNCOEMV-CQSZACIVSA-N 1 0 306.381 2.149 10 0 DEAERO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccoc1C1CC1 ZINC000374230135 148220729 /nfs/dbraw/zinc/22/07/29/148220729.db2.gz MORGAUGGVFHQNY-AWEZNQCLSA-N 1 0 304.390 2.140 10 0 DEAERO Cc1nccn1CCC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375463573 148375971 /nfs/dbraw/zinc/37/59/71/148375971.db2.gz CSASPTLROYXLDU-CQSZACIVSA-N 1 0 301.394 2.332 10 0 DEAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000111690004 401720600 /nfs/dbraw/zinc/72/06/00/401720600.db2.gz UVQYAPHPMAKHBH-NWDGAFQWSA-N 1 0 316.430 2.291 10 0 DEAERO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000111683880 401720644 /nfs/dbraw/zinc/72/06/44/401720644.db2.gz MNPXWTQCNWDQQA-GXTWGEPZSA-N 1 0 308.447 2.041 10 0 DEAERO CN1CCC(CNC(=O)NCC2CCC2)([NH+]2CCCCC2)CC1 ZINC000073746927 401721450 /nfs/dbraw/zinc/72/14/50/401721450.db2.gz AQQGSIYUXRJKJV-UHFFFAOYSA-N 1 0 322.497 2.036 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000073774384 401721560 /nfs/dbraw/zinc/72/15/60/401721560.db2.gz XDUNTSBWQQAAQB-HNNXBMFYSA-N 1 0 321.469 2.070 10 0 DEAERO O=C(CN1CC=C(c2ccccc2F)CC1)NC1CCOCC1 ZINC000127751550 401748504 /nfs/dbraw/zinc/74/85/04/401748504.db2.gz GARQEYDFXYCBLI-UHFFFAOYSA-N 1 0 318.392 2.210 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C)cc1C ZINC000111832616 401725244 /nfs/dbraw/zinc/72/52/44/401725244.db2.gz CVOWXNZVVCEFBX-QGZVFWFLSA-N 1 0 319.449 2.213 10 0 DEAERO Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)no1 ZINC000127261020 401726512 /nfs/dbraw/zinc/72/65/12/401726512.db2.gz FOEAFAVPYDAVTH-DZGCQCFKSA-N 1 0 321.327 2.436 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000074497774 401740584 /nfs/dbraw/zinc/74/05/84/401740584.db2.gz AXWQXGQJYFMSJS-IRXDYDNUSA-N 1 0 316.449 2.367 10 0 DEAERO Cc1cnn(CCC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000126555777 401698998 /nfs/dbraw/zinc/69/89/98/401698998.db2.gz YVDIYHWEVATTMJ-MRXNPFEDSA-N 1 0 300.406 2.001 10 0 DEAERO Nc1c(Cl)cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000126643821 401703014 /nfs/dbraw/zinc/70/30/14/401703014.db2.gz JQZISKUVMKEIGV-SNVBAGLBSA-N 1 0 314.216 2.496 10 0 DEAERO COC(=O)COc1c(C)cc(CN2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000127049449 401718475 /nfs/dbraw/zinc/71/84/75/401718475.db2.gz FIFBSQUMOQWAKW-HUUCEWRRSA-N 1 0 321.417 2.464 10 0 DEAERO O=C(Cc1ccc(O)cc1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000013861054 401805211 /nfs/dbraw/zinc/80/52/11/401805211.db2.gz ZXDHAKBZZDCMGU-MRXNPFEDSA-N 1 0 302.418 2.412 10 0 DEAERO CCCCOCCNC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112746646 401757305 /nfs/dbraw/zinc/75/73/05/401757305.db2.gz HWKYJYYCYQRVFK-UHFFFAOYSA-N 1 0 322.453 2.428 10 0 DEAERO COCCOc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113225537 401770352 /nfs/dbraw/zinc/77/03/52/401770352.db2.gz JDQVFEJHTQDHJE-GOEBONIOSA-N 1 0 318.417 2.021 10 0 DEAERO CCc1noc2ncc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)cc12 ZINC000113223918 401770566 /nfs/dbraw/zinc/77/05/66/401770566.db2.gz NQUWQBCEFONPHT-WCQYABFASA-N 1 0 314.389 2.094 10 0 DEAERO COc1ccc(SCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000113226679 401770805 /nfs/dbraw/zinc/77/08/05/401770805.db2.gz OESOVVQAXFSGEN-ZIAGYGMSSA-N 1 0 320.458 2.482 10 0 DEAERO Cc1nn(-c2ccccc2)cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113229913 401771832 /nfs/dbraw/zinc/77/18/32/401771832.db2.gz DHMFGRKHINCNFR-WMLDXEAASA-N 1 0 324.428 2.489 10 0 DEAERO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128366527 401773628 /nfs/dbraw/zinc/77/36/28/401773628.db2.gz MXXHQONLEBCQIR-NSHDSACASA-N 1 0 307.829 2.359 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1 ZINC000113269959 401773729 /nfs/dbraw/zinc/77/37/29/401773729.db2.gz KWULSNIMYQPZNS-IUODEOHRSA-N 1 0 307.825 2.447 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCCc2ccccc21 ZINC000113270539 401773736 /nfs/dbraw/zinc/77/37/36/401773736.db2.gz DRTUISIAWKZTCJ-DOTOQJQBSA-N 1 0 313.445 2.134 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H](C)CO)c1ccccc1 ZINC000128388352 401774653 /nfs/dbraw/zinc/77/46/53/401774653.db2.gz NYIGPUDFZIOHKX-GOEBONIOSA-N 1 0 307.438 2.092 10 0 DEAERO Cc1cc(C)n2c(C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)cnc2n1 ZINC000128451249 401777098 /nfs/dbraw/zinc/77/70/98/401777098.db2.gz HKLZIFHRBRROIP-CQSZACIVSA-N 1 0 310.405 2.069 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1noc(-c2ccsc2)n1 ZINC000113518472 401781270 /nfs/dbraw/zinc/78/12/70/401781270.db2.gz ROPMDXFRDRDSIH-WCQYABFASA-N 1 0 304.419 2.467 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)c1ccccc1 ZINC000113584901 401782996 /nfs/dbraw/zinc/78/29/96/401782996.db2.gz OXFQKSJXJPKWFY-DOTOQJQBSA-N 1 0 316.449 2.001 10 0 DEAERO C[C@H]([NH2+]C(C)(C)CNC(=O)NCC1(C)COC1)c1ccccc1 ZINC000113622443 401784086 /nfs/dbraw/zinc/78/40/86/401784086.db2.gz UTICEPMYWAMUIE-AWEZNQCLSA-N 1 0 319.449 2.452 10 0 DEAERO CCc1cc(=O)[nH]c(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)n1 ZINC000128593224 401784339 /nfs/dbraw/zinc/78/43/39/401784339.db2.gz GQPSTZVZUXEMHK-UONOGXRCSA-N 1 0 301.394 2.215 10 0 DEAERO CCC[C@H]1CN(C(=O)CCCSC)CC[N@@H+]1CCOC ZINC000128648388 401786584 /nfs/dbraw/zinc/78/65/84/401786584.db2.gz VBLUSZGCAMRDEU-AWEZNQCLSA-N 1 0 302.484 2.089 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2COc3ccccc32)[C@H](C)C1 ZINC000128768992 401791000 /nfs/dbraw/zinc/79/10/00/401791000.db2.gz WLZCCIJXYJWTDD-BMFZPTHFSA-N 1 0 317.433 2.492 10 0 DEAERO C[C@@H](O)CC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000128789187 401791951 /nfs/dbraw/zinc/79/19/51/401791951.db2.gz YLGFMJNMEFKSTL-SECBINFHSA-N 1 0 300.196 2.245 10 0 DEAERO Cc1cnn(CCC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000115416327 401827223 /nfs/dbraw/zinc/82/72/23/401827223.db2.gz VAIVZIUGDWGUDD-UHFFFAOYSA-N 1 0 318.396 2.099 10 0 DEAERO CC1(C)CC(NC(=O)NC[C@H]2CCCC[C@H]2O)CC(C)(C)[NH2+]1 ZINC000077751197 401828802 /nfs/dbraw/zinc/82/88/02/401828802.db2.gz BOLKCZGRBCBGAG-TZMCWYRMSA-N 1 0 311.470 2.146 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@@H](C)CO)CC(C)C ZINC000077761059 401829741 /nfs/dbraw/zinc/82/97/41/401829741.db2.gz VAYZOUCYZJOQJC-ZNMIVQPWSA-N 1 0 301.475 2.059 10 0 DEAERO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000077772766 401830210 /nfs/dbraw/zinc/83/02/10/401830210.db2.gz ZKOZGNOFKIWBPF-LSDHHAIUSA-N 1 0 321.465 2.345 10 0 DEAERO Cc1cc(C(=O)NCC(C)(C)C[NH+](C)C)nn1-c1ccccc1 ZINC000077924898 401836385 /nfs/dbraw/zinc/83/63/85/401836385.db2.gz XGIFYSCAKNVSCC-UHFFFAOYSA-N 1 0 314.433 2.498 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)C1CC1 ZINC000116568117 401854946 /nfs/dbraw/zinc/85/49/46/401854946.db2.gz KLVUYTNRPDLFJN-CJNGLKHVSA-N 1 0 302.422 2.096 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000116798185 401859699 /nfs/dbraw/zinc/85/96/99/401859699.db2.gz GUYQZOJRLFTLGR-ZDUSSCGKSA-N 1 0 317.216 2.396 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc3ccccc3c2)CCO1 ZINC000116796546 401859820 /nfs/dbraw/zinc/85/98/20/401859820.db2.gz PEOBPPHKVVNOGZ-GOSISDBHSA-N 1 0 312.413 2.171 10 0 DEAERO CCCn1cc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cn1 ZINC000116912194 401864430 /nfs/dbraw/zinc/86/44/30/401864430.db2.gz ZQRFHKOUSQTHII-UHFFFAOYSA-N 1 0 320.481 2.418 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)NC2CCCCC2)C[C@H]1CC ZINC000117021886 401866951 /nfs/dbraw/zinc/86/69/51/401866951.db2.gz OWAXQTUWZDXJLP-MRXNPFEDSA-N 1 0 311.470 2.461 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000077423445 401815165 /nfs/dbraw/zinc/81/51/65/401815165.db2.gz BYNJJJNKVLQFRW-BDAKNGLRSA-N 1 0 316.195 2.284 10 0 DEAERO CN1CCC[C@@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130034723 401815933 /nfs/dbraw/zinc/81/59/33/401815933.db2.gz ASNVWYRAHLZSNY-HUUCEWRRSA-N 1 0 311.470 2.317 10 0 DEAERO CC[C@H](O)CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000135051730 401925638 /nfs/dbraw/zinc/92/56/38/401925638.db2.gz WVZMYQGQYGVYNN-WDEREUQCSA-N 1 0 322.232 2.484 10 0 DEAERO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)CCN1C ZINC000135123588 401928087 /nfs/dbraw/zinc/92/80/87/401928087.db2.gz RUZAHURDSDOXES-RDJZCZTQSA-N 1 0 303.450 2.454 10 0 DEAERO CCS(=O)(=O)NCCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000132749323 401873290 /nfs/dbraw/zinc/87/32/90/401873290.db2.gz QQIIZXZDTOXGRO-UHFFFAOYSA-N 1 0 322.833 2.240 10 0 DEAERO CC[C@H]1CN(C(=O)CCc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000117300870 401873974 /nfs/dbraw/zinc/87/39/74/401873974.db2.gz KXQICYNKVLYJEP-SFHVURJKSA-N 1 0 318.461 2.497 10 0 DEAERO CCOc1ccc(S(=O)(=O)NC[C@H](C)[NH+](CC)CC)cc1 ZINC000032073231 401876201 /nfs/dbraw/zinc/87/62/01/401876201.db2.gz ODZZFPYMWBXLIC-ZDUSSCGKSA-N 1 0 314.451 2.094 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1C(C)C ZINC000117495194 401878471 /nfs/dbraw/zinc/87/84/71/401878471.db2.gz BVDSJTAIEHRLMF-CVEARBPZSA-N 1 0 311.470 2.317 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(OC)cc1C ZINC000118019030 401889140 /nfs/dbraw/zinc/88/91/40/401889140.db2.gz QXIRWHLOYUNJKL-CQSZACIVSA-N 1 0 321.421 2.236 10 0 DEAERO Cc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000118107105 401891583 /nfs/dbraw/zinc/89/15/83/401891583.db2.gz GWYGRSMFHKKZKM-AWEZNQCLSA-N 1 0 317.433 2.267 10 0 DEAERO COc1ccc([C@@H]2NC(=O)c3cccc4c3N2CC[C@H]4[NH3+])cc1 ZINC000034161846 401892416 /nfs/dbraw/zinc/89/24/16/401892416.db2.gz AFSXGZYGBBFNKI-NVXWUHKLSA-N 1 0 309.369 2.347 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccccc2OC(F)F)C1 ZINC000118333801 401895868 /nfs/dbraw/zinc/89/58/68/401895868.db2.gz ZISUAJBZBPDSMU-ZDUSSCGKSA-N 1 0 312.360 2.431 10 0 DEAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000035230389 401897128 /nfs/dbraw/zinc/89/71/28/401897128.db2.gz JOCJCYBWIJPVBI-ZDUSSCGKSA-N 1 0 304.415 2.493 10 0 DEAERO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCCOC1 ZINC000084438075 401905333 /nfs/dbraw/zinc/90/53/33/401905333.db2.gz HFPXXOLBQYGURM-CYBMUJFWSA-N 1 0 311.451 2.000 10 0 DEAERO CS[C@H]1CCCC[N@@H+]([C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000134550196 401906096 /nfs/dbraw/zinc/90/60/96/401906096.db2.gz KSRRWUWVBXVWRM-KBPBESRZSA-N 1 0 322.478 2.051 10 0 DEAERO CO[C@H](C)c1cccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000118816198 401909646 /nfs/dbraw/zinc/90/96/46/401909646.db2.gz PXVSYMRWRXQSQL-CJNGLKHVSA-N 1 0 321.421 2.188 10 0 DEAERO CC(C)COCCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037234093 401911700 /nfs/dbraw/zinc/91/17/00/401911700.db2.gz IWQBJDFKBZTSOW-ZDUSSCGKSA-N 1 0 314.451 2.047 10 0 DEAERO NC(=O)N1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000037281340 401912251 /nfs/dbraw/zinc/91/22/51/401912251.db2.gz HPHXHQFZMMVUTQ-ZDUSSCGKSA-N 1 0 309.410 2.495 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccccc2OC(C)C)CC1 ZINC000118857283 401913082 /nfs/dbraw/zinc/91/30/82/401913082.db2.gz JLXUFQLGMPEPGH-KRWDZBQOSA-N 1 0 306.450 2.362 10 0 DEAERO CC(C)CC[C@](C)(O)CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085423351 401915537 /nfs/dbraw/zinc/91/55/37/401915537.db2.gz MQBUKTOVVHEMAK-YOEHRIQHSA-N 1 0 315.502 2.449 10 0 DEAERO CC(=O)NCCC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134832148 401916367 /nfs/dbraw/zinc/91/63/67/401916367.db2.gz FSTUASOGHDMLSO-INIZCTEOSA-N 1 0 306.381 2.389 10 0 DEAERO C[C@@](CO)([NH2+]C[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000038114609 401922992 /nfs/dbraw/zinc/92/29/92/401922992.db2.gz ORHDUHOOOVTKFM-KBPBESRZSA-N 1 0 314.223 2.425 10 0 DEAERO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000135703948 401951058 /nfs/dbraw/zinc/95/10/58/401951058.db2.gz NNUYGEIGTOJPAZ-QGZVFWFLSA-N 1 0 322.474 2.303 10 0 DEAERO CCCn1cc(C[N@H+](C)C[C@H](O)COCc2ccccc2)cn1 ZINC000119580659 401960044 /nfs/dbraw/zinc/96/00/44/401960044.db2.gz ODGKSASYIBEDTI-SFHVURJKSA-N 1 0 317.433 2.303 10 0 DEAERO CC1CC[NH+](CCNC(=O)Cc2ccc(O)cc2Cl)CC1 ZINC000136165104 401961583 /nfs/dbraw/zinc/96/15/83/401961583.db2.gz SMPNNNXZYQRFCA-UHFFFAOYSA-N 1 0 310.825 2.436 10 0 DEAERO C[C@H]1CCC[N@H+](CCNC(=O)Cc2ccc(O)cc2Cl)C1 ZINC000136167262 401961813 /nfs/dbraw/zinc/96/18/13/401961813.db2.gz DQWWUOOKBQRMRM-LBPRGKRZSA-N 1 0 310.825 2.436 10 0 DEAERO C[C@@H](C[N@@H+]1CCSC2(CCCCC2)C1)CS(C)(=O)=O ZINC000119686534 401963460 /nfs/dbraw/zinc/96/34/60/401963460.db2.gz MHZDVSMZGHAVSG-ZDUSSCGKSA-N 1 0 305.509 2.419 10 0 DEAERO CC(C)S(=O)(=O)CCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000119893421 401970221 /nfs/dbraw/zinc/97/02/21/401970221.db2.gz JMSPLNJEWAEBIU-UHFFFAOYSA-N 1 0 316.511 2.008 10 0 DEAERO CCC[N@H+](CCC(=O)NC(C)C)C[C@@H]1COc2ccccc2O1 ZINC000046781526 401973191 /nfs/dbraw/zinc/97/31/91/401973191.db2.gz UNURFIRGCZYQJJ-OAHLLOKOSA-N 1 0 320.433 2.453 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@]1(C)CCCO1 ZINC000119988968 401973381 /nfs/dbraw/zinc/97/33/81/401973381.db2.gz MRQYVPKMWAIRHY-WMZOPIPTSA-N 1 0 319.449 2.028 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@H]2C1 ZINC000120111953 401978387 /nfs/dbraw/zinc/97/83/87/401978387.db2.gz RKMIYUISLDAMGC-YVSFHVDLSA-N 1 0 324.465 2.046 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCc1nc(C)c(C)s1 ZINC000150836262 401998942 /nfs/dbraw/zinc/99/89/42/401998942.db2.gz POWQEPJTBUULCC-LLVKDONJSA-N 1 0 312.483 2.332 10 0 DEAERO Cc1nc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)sc1C ZINC000120696980 401999249 /nfs/dbraw/zinc/99/92/49/401999249.db2.gz OZKLBNWRHOOGKI-BXUZGUMPSA-N 1 0 324.494 2.427 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[N@@H+](C3CC3)CC2)[C@@H]1C ZINC000145754346 401991717 /nfs/dbraw/zinc/99/17/17/401991717.db2.gz MXGIERQLMWWQQY-INMHGKMJSA-N 1 0 307.482 2.097 10 0 DEAERO CCCCOCCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091261513 401995530 /nfs/dbraw/zinc/99/55/30/401995530.db2.gz LZZWHYMVLOWKKF-CYBMUJFWSA-N 1 0 314.451 2.191 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)NCCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC000119305393 401939770 /nfs/dbraw/zinc/93/97/70/401939770.db2.gz XJNRHRJCCBAYGO-GXTWGEPZSA-N 1 0 324.856 2.402 10 0 DEAERO C[NH+](C)CCOc1cc(CNC(=O)NCC2(C)CCC2)ccn1 ZINC000135592931 401946732 /nfs/dbraw/zinc/94/67/32/401946732.db2.gz UIZGCJDMJUTHLA-UHFFFAOYSA-N 1 0 320.437 2.011 10 0 DEAERO CCn1nc(C)c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000089480797 401949591 /nfs/dbraw/zinc/94/95/91/401949591.db2.gz NLWUJOVRPIDZFI-BXUZGUMPSA-N 1 0 307.442 2.466 10 0 DEAERO CC(C)[N@H+](C)CCNS(=O)(=O)c1cccc2ccccc21 ZINC000121036324 402011888 /nfs/dbraw/zinc/01/18/88/402011888.db2.gz IJQWQAAYRPPXBW-UHFFFAOYSA-N 1 0 306.431 2.458 10 0 DEAERO Cc1ccc(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)o1 ZINC000121201433 402019826 /nfs/dbraw/zinc/01/98/26/402019826.db2.gz OCQHEIGESHXDQN-UHFFFAOYSA-N 1 0 302.422 2.381 10 0 DEAERO Cc1nn(C)c2sc(C(=O)N[C@H]3CC[C@H]([NH+](C)C)C3)cc12 ZINC000093985982 402022103 /nfs/dbraw/zinc/02/21/03/402022103.db2.gz QDGHDAXOIFMFLX-QWRGUYRKSA-N 1 0 306.435 2.156 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc(N2CCCC2=O)c1 ZINC000151225131 402024914 /nfs/dbraw/zinc/02/49/14/402024914.db2.gz ADVKTNCBWOMUPT-ZWNOBZJWSA-N 1 0 316.323 2.387 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000121363042 402030651 /nfs/dbraw/zinc/03/06/51/402030651.db2.gz QOSLFYWLTGEKOE-MKBNYLNASA-N 1 0 322.453 2.250 10 0 DEAERO Cc1cccc([C@@H](O)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000121392014 402032922 /nfs/dbraw/zinc/03/29/22/402032922.db2.gz UQOMLDJWXOJNPY-SJORKVTESA-N 1 0 321.465 2.304 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2c2ccncc2)C1 ZINC000052592768 402044189 /nfs/dbraw/zinc/04/41/89/402044189.db2.gz XVOPTNGZAKRZRH-HZPDHXFCSA-N 1 0 302.422 2.412 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCOc2ccc(C)cc2)C1 ZINC000052593547 402044198 /nfs/dbraw/zinc/04/41/98/402044198.db2.gz ZOBNMWXTFSITJA-MRXNPFEDSA-N 1 0 319.449 2.500 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(CCO)Cc1ccccc1 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312.373 2.202 10 0 DEAERO CC(C)[N@H+](C)CC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000185103364 402324719 /nfs/dbraw/zinc/32/47/19/402324719.db2.gz JKHMLEGAOOMWHF-UHFFFAOYSA-N 1 0 300.406 2.328 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCCC1 ZINC000184670285 402290123 /nfs/dbraw/zinc/29/01/23/402290123.db2.gz RLWYZDHVMQJUIG-MNOVXSKESA-N 1 0 316.405 2.352 10 0 DEAERO O=C(N[C@@H]1CCOC2(CCCC2)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000157138712 402292294 /nfs/dbraw/zinc/29/22/94/402292294.db2.gz VVTCMFKTDVHBLH-HZPDHXFCSA-N 1 0 321.465 2.358 10 0 DEAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1(O)CCC1 ZINC000184709868 402293777 /nfs/dbraw/zinc/29/37/77/402293777.db2.gz MUCHJAYMPOPTID-INIZCTEOSA-N 1 0 302.418 2.072 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2cc(F)ccc2F)C1 ZINC000176344124 402301771 /nfs/dbraw/zinc/30/17/71/402301771.db2.gz LRNWELVCFCANNP-GFCCVEGCSA-N 1 0 311.376 2.148 10 0 DEAERO CN(C)C(=O)c1cc(-c2ccccc2)ccc1CN1CC[NH2+]CC1 ZINC000221852378 402305200 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CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ncccc2OCC)C1 ZINC000176509688 402315839 /nfs/dbraw/zinc/31/58/39/402315839.db2.gz LXFFGANPVVLGBJ-CQSZACIVSA-N 1 0 305.422 2.284 10 0 DEAERO CCC(CC)(C[NH2+]Cc1cc(-c2cnn(C)c2)no1)C(=O)OC ZINC000185041793 402319316 /nfs/dbraw/zinc/31/93/16/402319316.db2.gz NJGOSKMOSAGCPO-UHFFFAOYSA-N 1 0 320.393 2.144 10 0 DEAERO CCC[C@H]([NH3+])C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000159288752 402321005 /nfs/dbraw/zinc/32/10/05/402321005.db2.gz BGDGZGXIFMPOGF-HOTGVXAUSA-N 1 0 308.397 2.225 10 0 DEAERO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](CO)CC(C)C)cc1 ZINC000185328419 402343762 /nfs/dbraw/zinc/34/37/62/402343762.db2.gz CIXZFZJRWZIQOI-OAHLLOKOSA-N 1 0 308.422 2.363 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000185333145 402344835 /nfs/dbraw/zinc/34/48/35/402344835.db2.gz DCASTQAZVLXIAA-CABCVRRESA-N 1 0 320.433 2.246 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)ccc1F ZINC000176895323 402347491 /nfs/dbraw/zinc/34/74/91/402347491.db2.gz KZCYXUPPJIYIEQ-ZDUSSCGKSA-N 1 0 321.396 2.015 10 0 DEAERO COc1cccc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1O ZINC000185431434 402352019 /nfs/dbraw/zinc/35/20/19/402352019.db2.gz ZZXXYFYPVYYELL-ZDUSSCGKSA-N 1 0 306.406 2.395 10 0 DEAERO CCc1cccc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000176951556 402353545 /nfs/dbraw/zinc/35/35/45/402353545.db2.gz ILAQVSZTONKYFI-BBRMVZONSA-N 1 0 310.463 2.256 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)CCC1CCCC1 ZINC000176971133 402355239 /nfs/dbraw/zinc/35/52/39/402355239.db2.gz CQJPZYAOLJAXSI-INIZCTEOSA-N 1 0 323.481 2.016 10 0 DEAERO CN(CC[N@H+](C)C1CC1)C(=O)NCCc1cc(F)ccc1F ZINC000185499341 402357076 /nfs/dbraw/zinc/35/70/76/402357076.db2.gz SZMUHFIVMWGRDQ-UHFFFAOYSA-N 1 0 311.376 2.243 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(-c2ccco2)on1 ZINC000177004956 402358820 /nfs/dbraw/zinc/35/88/20/402358820.db2.gz PWXGDZFCYVXFIY-LBPRGKRZSA-N 1 0 303.362 2.491 10 0 DEAERO CC(C)[C@H]1C[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000185535940 402359621 /nfs/dbraw/zinc/35/96/21/402359621.db2.gz ZRTGONQZFUVGKD-IAGOWNOFSA-N 1 0 321.509 2.345 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000177044636 402363595 /nfs/dbraw/zinc/36/35/95/402363595.db2.gz PPSCZMYYISXHFA-BBRMVZONSA-N 1 0 320.481 2.158 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000236594339 402367007 /nfs/dbraw/zinc/36/70/07/402367007.db2.gz XQXXFBPGVBEKMK-NVXWUHKLSA-N 1 0 320.481 2.332 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc2c1OCCO2 ZINC000177143679 402374912 /nfs/dbraw/zinc/37/49/12/402374912.db2.gz NGZYDFHTSUAMKT-CHWSQXEVSA-N 1 0 317.389 2.158 10 0 DEAERO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236702066 402375663 /nfs/dbraw/zinc/37/56/63/402375663.db2.gz KQNLJIUGCYWQOS-KGLIPLIRSA-N 1 0 303.406 2.199 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226463170 402328298 /nfs/dbraw/zinc/32/82/98/402328298.db2.gz CXVLXEXITGMWGY-GFCCVEGCSA-N 1 0 316.854 2.411 10 0 DEAERO CCC[C@H](C)C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000185153353 402329131 /nfs/dbraw/zinc/32/91/31/402329131.db2.gz GWGBIOLNEXQLIF-FUHWJXTLSA-N 1 0 318.461 2.482 10 0 DEAERO O=C([C@@H]1CCCc2n[nH]cc21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000177365770 402394948 /nfs/dbraw/zinc/39/49/48/402394948.db2.gz QQSXITDYHCGOLK-OAHLLOKOSA-N 1 0 316.449 2.307 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccc(N3CCCCCC3)nc2)CC1 ZINC000237147595 402397056 /nfs/dbraw/zinc/39/70/56/402397056.db2.gz GGJCPDZPSREVMN-UHFFFAOYSA-N 1 0 316.449 2.286 10 0 DEAERO Cc1noc(Cl)c1CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237204976 402399447 /nfs/dbraw/zinc/39/94/47/402399447.db2.gz GCTIKQSJRHIARI-FOSCPWQOSA-N 1 0 311.813 2.310 10 0 DEAERO COCCOCC[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000177411940 402399986 /nfs/dbraw/zinc/39/99/86/402399986.db2.gz BIERZUUYETXLTF-AWEZNQCLSA-N 1 0 309.406 2.156 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000237495323 402410306 /nfs/dbraw/zinc/41/03/06/402410306.db2.gz KOBDATYIJKJCHW-WCQYABFASA-N 1 0 316.380 2.415 10 0 DEAERO CCC[C@@H](C(=O)N[C@H]1CCCN(c2ccccc2)C1=O)[NH+](C)C ZINC000162153529 402411345 /nfs/dbraw/zinc/41/13/45/402411345.db2.gz YPLCCDPPYNBHPW-HOTGVXAUSA-N 1 0 317.433 2.029 10 0 DEAERO Cc1nn(C)c(C)c1CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000237571762 402413597 /nfs/dbraw/zinc/41/35/97/402413597.db2.gz LZRSJFLATHBHPQ-SJCJKPOMSA-N 1 0 314.433 2.032 10 0 DEAERO CNC(=O)Cc1nc(CN2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000177547786 402415221 /nfs/dbraw/zinc/41/52/21/402415221.db2.gz YUDAMTLJYOIXPG-VIFPVBQESA-N 1 0 321.368 2.206 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)COc2ccc3c(c2)CCCC3)C1 ZINC000162604990 402426056 /nfs/dbraw/zinc/42/60/56/402426056.db2.gz LSIIJPZLKUHAES-MRXNPFEDSA-N 1 0 302.418 2.107 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186472816 402433888 /nfs/dbraw/zinc/43/38/88/402433888.db2.gz PVWHDSWTTDSTEL-DYVFJYSZSA-N 1 0 313.401 2.105 10 0 DEAERO Cn1c(CN2CC[NH+](C3CCCCC3)CC2)nnc1C1CC1 ZINC000162848622 402434248 /nfs/dbraw/zinc/43/42/48/402434248.db2.gz SMIYPYXQDSVYRQ-UHFFFAOYSA-N 1 0 303.454 2.143 10 0 DEAERO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177774618 402434777 /nfs/dbraw/zinc/43/47/77/402434777.db2.gz YWGIWRCCNHADIG-FUHWJXTLSA-N 1 0 315.461 2.204 10 0 DEAERO C[C@H](c1nc(-c2cccnc2)no1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177777410 402435489 /nfs/dbraw/zinc/43/54/89/402435489.db2.gz WRIDYCPGCHQRMV-UKRRQHHQSA-N 1 0 313.405 2.363 10 0 DEAERO O=C(CSC[C@H]1CCCCO1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186525389 402438821 /nfs/dbraw/zinc/43/88/21/402438821.db2.gz AAMAMRUSNRAFHB-UKRRQHHQSA-N 1 0 312.479 2.032 10 0 DEAERO COc1cc(F)ccc1N1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000163026148 402439338 /nfs/dbraw/zinc/43/93/38/402439338.db2.gz PVUJIYMISYTWLU-INIZCTEOSA-N 1 0 321.440 2.441 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1nc(COC)cs1 ZINC000177883071 402442341 /nfs/dbraw/zinc/44/23/41/402442341.db2.gz VPNVYCMEVPKLEH-OLZOCXBDSA-N 1 0 324.450 2.380 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)NCC1(CCO)CC1)c1ccco1 ZINC000186619970 402448283 /nfs/dbraw/zinc/44/82/83/402448283.db2.gz ZCWVLWZUEBMRCA-CQSZACIVSA-N 1 0 323.437 2.124 10 0 DEAERO COc1ccc(F)cc1CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000186667918 402453428 /nfs/dbraw/zinc/45/34/28/402453428.db2.gz KCLVAEHUEQYMEI-DOMZBBRYSA-N 1 0 308.397 2.222 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000178038152 402454441 /nfs/dbraw/zinc/45/44/41/402454441.db2.gz MYZPEOMBEGHUGW-CXAGYDPISA-N 1 0 314.433 2.079 10 0 DEAERO CCNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000246117596 402511815 /nfs/dbraw/zinc/51/18/15/402511815.db2.gz OXJPJKPKKWDOPU-HOTGVXAUSA-N 1 0 303.406 2.292 10 0 DEAERO CC(C)(C)OC(=O)CCCCC[NH2+]C1CCN(C(N)=O)CC1 ZINC000178119580 402462681 /nfs/dbraw/zinc/46/26/81/402462681.db2.gz XNWLQVWXHIIPQP-UHFFFAOYSA-N 1 0 313.442 2.021 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000245469647 402463742 /nfs/dbraw/zinc/46/37/42/402463742.db2.gz MAXACAXGTWJAQV-CABCVRRESA-N 1 0 304.438 2.092 10 0 DEAERO Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C2)[nH+]1 ZINC000245473237 402464663 /nfs/dbraw/zinc/46/46/63/402464663.db2.gz PUXDFTZAGUYNFQ-CVEARBPZSA-N 1 0 318.465 2.379 10 0 DEAERO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186807907 402465588 /nfs/dbraw/zinc/46/55/88/402465588.db2.gz FCOUKYKEWOQIFC-CABCVRRESA-N 1 0 304.434 2.265 10 0 DEAERO CCOc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)ccc1OC ZINC000245513632 402467312 /nfs/dbraw/zinc/46/73/12/402467312.db2.gz DFDMFRLEZGGIQR-TZMCWYRMSA-N 1 0 306.406 2.180 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000187837207 402512421 /nfs/dbraw/zinc/51/24/21/402512421.db2.gz CXGLJGYMXHJFGE-DZGCQCFKSA-N 1 0 312.479 2.302 10 0 DEAERO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000245531148 402468417 /nfs/dbraw/zinc/46/84/17/402468417.db2.gz COFDDJQZUFSCQH-ZIAGYGMSSA-N 1 0 301.390 2.295 10 0 DEAERO Cc1ccc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000246135505 402512492 /nfs/dbraw/zinc/51/24/92/402512492.db2.gz JDDIWWCUWYQTFC-GOEBONIOSA-N 1 0 304.438 2.057 10 0 DEAERO Cc1occc1C(=O)NC1CC[NH+](C[C@@](C)(O)C(C)C)CC1 ZINC000186934825 402471775 /nfs/dbraw/zinc/47/17/75/402471775.db2.gz AHUGVNKQXHKUKD-QGZVFWFLSA-N 1 0 308.422 2.189 10 0 DEAERO Cc1csc([C@@H]2CCCN(CCS(=O)(=O)C(C)C)C2)n1 ZINC000178218292 402472437 /nfs/dbraw/zinc/47/24/37/402472437.db2.gz KIUDDLYAFRPVTD-CYBMUJFWSA-N 1 0 316.492 2.454 10 0 DEAERO CN(c1cccnn1)C1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000186964706 402474657 /nfs/dbraw/zinc/47/46/57/402474657.db2.gz MCGFSGYZJBYMQZ-HNNXBMFYSA-N 1 0 304.438 2.335 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(Cl)nc1 ZINC000245630527 402475252 /nfs/dbraw/zinc/47/52/52/402475252.db2.gz HSCBPMUHBNTMDB-FROLJDDGSA-N 1 0 305.809 2.443 10 0 DEAERO COCCN1CC[N@H+](C[C@H](C)c2ccc(OC)cc2)C[C@@H]1C ZINC000245650579 402476551 /nfs/dbraw/zinc/47/65/51/402476551.db2.gz HHKKTGWKZJRMAV-HOTGVXAUSA-N 1 0 306.450 2.451 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000178267759 402478191 /nfs/dbraw/zinc/47/81/91/402478191.db2.gz VILIUJBDGFXVFS-ZIFCJYIRSA-N 1 0 318.461 2.217 10 0 DEAERO CC[C@H](C)CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245675990 402478702 /nfs/dbraw/zinc/47/87/02/402478702.db2.gz TXXLGPBDPUULHX-BPUTZDHNSA-N 1 0 310.463 2.397 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000245673393 402478831 /nfs/dbraw/zinc/47/88/31/402478831.db2.gz INRYOFNDTSRFAZ-KGLIPLIRSA-N 1 0 319.453 2.055 10 0 DEAERO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cnn1CC(C)C ZINC000245703485 402480567 /nfs/dbraw/zinc/48/05/67/402480567.db2.gz CTQGWRYOOPHXTI-DZGCQCFKSA-N 1 0 306.454 2.402 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(F)c(Cl)c2)C[C@H]1C ZINC000245709977 402481418 /nfs/dbraw/zinc/48/14/18/402481418.db2.gz FVAMBEZDMZNQCX-NEPJUHHUSA-N 1 0 300.805 2.366 10 0 DEAERO C[C@H](CNC(=O)NC[C@H]1CCC(C)(C)O1)[NH+]1CCC(C)CC1 ZINC000187077025 402481524 /nfs/dbraw/zinc/48/15/24/402481524.db2.gz QJYPABCUEMTJAR-HUUCEWRRSA-N 1 0 311.470 2.364 10 0 DEAERO Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@@H]3Cn3ccnc3C)cc12 ZINC000178303539 402481878 /nfs/dbraw/zinc/48/18/78/402481878.db2.gz XWWXDJQWFVOTEC-MRXNPFEDSA-N 1 0 324.432 2.446 10 0 DEAERO COC(=O)[C@]1(C)CC[N@H+](CCC(=O)c2ccc(F)cc2F)C1 ZINC000187167231 402485554 /nfs/dbraw/zinc/48/55/54/402485554.db2.gz ZXWRJXZMARARFO-MRXNPFEDSA-N 1 0 311.328 2.423 10 0 DEAERO CC(C)CCn1cccc1CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245786111 402488231 /nfs/dbraw/zinc/48/82/31/402488231.db2.gz VFUDTDXKUXOYHA-SJORKVTESA-N 1 0 307.482 2.421 10 0 DEAERO CCCn1nc(C)c(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1C ZINC000245798109 402488892 /nfs/dbraw/zinc/48/88/92/402488892.db2.gz XKAIBTCDGKHAIF-KDOFPFPSSA-N 1 0 320.481 2.062 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Cl)ccc2F)C[C@@H]1C ZINC000245797974 402489006 /nfs/dbraw/zinc/48/90/06/402489006.db2.gz XHPNAEXFEMLAPV-RYUDHWBXSA-N 1 0 300.805 2.366 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nc(CC)nn3C2)C12CCC2 ZINC000245840479 402490325 /nfs/dbraw/zinc/49/03/25/402490325.db2.gz DLDXJEKHHFAORS-BFHYXJOUSA-N 1 0 304.438 2.093 10 0 DEAERO C([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)C1(CN2CCOCC2)CCCCC1 ZINC000187285787 402491667 /nfs/dbraw/zinc/49/16/67/402491667.db2.gz LPAVMJWJDIKSOE-KZNAEPCWSA-N 1 0 322.493 2.426 10 0 DEAERO COCCC1(C[N@@H+]2CCO[C@@H](CC(=O)OC)C2)CCCCC1 ZINC000187310297 402493198 /nfs/dbraw/zinc/49/31/98/402493198.db2.gz UMQXBRZTVXONHC-HNNXBMFYSA-N 1 0 313.438 2.237 10 0 DEAERO O=C1NCC[C@@H]1[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000245879018 402493925 /nfs/dbraw/zinc/49/39/25/402493925.db2.gz KDGKRWBVGOQQSY-JSGCOSHPSA-N 1 0 308.809 2.319 10 0 DEAERO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000245914349 402496801 /nfs/dbraw/zinc/49/68/01/402496801.db2.gz NNZPJSUUEAGHBR-KFWWJZLASA-N 1 0 323.481 2.013 10 0 DEAERO 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CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1snnc1C(C)(C)C ZINC000191956513 402700557 /nfs/dbraw/zinc/70/05/57/402700557.db2.gz VJBMQUCAIXKUGB-NSHDSACASA-N 1 0 310.467 2.249 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ncc(F)cc1F ZINC000191957559 402700765 /nfs/dbraw/zinc/70/07/65/402700765.db2.gz WZIDLBCNRSYYQW-AWEZNQCLSA-N 1 0 319.355 2.263 10 0 DEAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NCCc1cccs1 ZINC000182903848 402725721 /nfs/dbraw/zinc/72/57/21/402725721.db2.gz PRPIGGNQBWPIHU-CZUORRHYSA-N 1 0 318.442 2.119 10 0 DEAERO C[C@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccncc1 ZINC000174116034 402727536 /nfs/dbraw/zinc/72/75/36/402727536.db2.gz SFOVONHVGPHTQP-GJZGRUSLSA-N 1 0 302.422 2.270 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000262765622 402730740 /nfs/dbraw/zinc/73/07/40/402730740.db2.gz KRVKJDNMSNXDNF-PRHODGIISA-N 1 0 323.245 2.270 10 0 DEAERO CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH2+]C(C)(C)C ZINC000174238610 402733420 /nfs/dbraw/zinc/73/34/20/402733420.db2.gz CELLOZSGZNTEKL-GFCCVEGCSA-N 1 0 315.458 2.184 10 0 DEAERO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2nccn2C)C1 ZINC000183112198 402740029 /nfs/dbraw/zinc/74/00/29/402740029.db2.gz PFEQXECRLGGPFZ-ZIAGYGMSSA-N 1 0 300.406 2.358 10 0 DEAERO COc1cccc(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000174474270 402742642 /nfs/dbraw/zinc/74/26/42/402742642.db2.gz NKIJGHBGWRGAJU-OAHLLOKOSA-N 1 0 320.437 2.106 10 0 DEAERO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000183156371 402743246 /nfs/dbraw/zinc/74/32/46/402743246.db2.gz NVDPPLCQFRBJNJ-ZIAGYGMSSA-N 1 0 300.406 2.438 10 0 DEAERO C[C@H](C[NH2+][C@H](C)c1ccccc1-n1cccn1)CS(C)(=O)=O ZINC000183164944 402744099 /nfs/dbraw/zinc/74/40/99/402744099.db2.gz SIACWIIYCNHBMW-ZIAGYGMSSA-N 1 0 321.446 2.204 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(CCc2cc(Cl)cs2)n1 ZINC000263231573 402747772 /nfs/dbraw/zinc/74/77/72/402747772.db2.gz NMGBJPRETYJHHD-LLVKDONJSA-N 1 0 312.826 2.146 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2C[C@]23CCCc2ccccc23)n1 ZINC000263228123 402747790 /nfs/dbraw/zinc/74/77/90/402747790.db2.gz NCCNIDAIPYIBES-FCEWJHQRSA-N 1 0 324.428 2.407 10 0 DEAERO CC[C@H]1CN(C(=O)c2cc(F)ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174621916 402748998 /nfs/dbraw/zinc/74/89/98/402748998.db2.gz VSHWSLQHEIAHLU-HIFRSBDPSA-N 1 0 308.397 2.051 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(C(C)(C)c2cccc(F)c2)n1 ZINC000263271385 402752577 /nfs/dbraw/zinc/75/25/77/402752577.db2.gz SEHNYUDMINDVFA-ZDUSSCGKSA-N 1 0 304.369 2.111 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(OC3CCC3)cc2)n1 ZINC000263295476 402755381 /nfs/dbraw/zinc/75/53/81/402755381.db2.gz WGHMCAPSDQXZFQ-HNNXBMFYSA-N 1 0 314.389 2.244 10 0 DEAERO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c(C)o1 ZINC000183326784 402757204 /nfs/dbraw/zinc/75/72/04/402757204.db2.gz ZODMEBQTYLNTFC-CQSZACIVSA-N 1 0 314.451 2.295 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@]2(C)CCc3ccccc3C2)n1 ZINC000263316724 402757833 /nfs/dbraw/zinc/75/78/33/402757833.db2.gz ZNQQNEMVVPYUSU-CRAIPNDOSA-N 1 0 312.417 2.092 10 0 DEAERO Cc1nc(C)c(CCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000174804620 402758037 /nfs/dbraw/zinc/75/80/37/402758037.db2.gz VWLFWBRBHMTZPZ-RISCZKNCSA-N 1 0 324.494 2.427 10 0 DEAERO COC(=O)c1coc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000183440078 402767394 /nfs/dbraw/zinc/76/73/94/402767394.db2.gz TXPWMLZPNUGXEZ-SJKOYZFVSA-N 1 0 322.405 2.307 10 0 DEAERO COc1ccc2c(c1)CN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC000183453343 402768815 /nfs/dbraw/zinc/76/88/15/402768815.db2.gz MKRWFYHBZCXUOW-UHFFFAOYSA-N 1 0 311.385 2.355 10 0 DEAERO Cc1cc(COCC(=O)N(CC[NH+](C)C)C2CCCCC2)on1 ZINC000193518945 402771665 /nfs/dbraw/zinc/77/16/65/402771665.db2.gz ZXEXNIXPCUPRCV-UHFFFAOYSA-N 1 0 323.437 2.223 10 0 DEAERO C[C@H]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000194051182 402782537 /nfs/dbraw/zinc/78/25/37/402782537.db2.gz LQWYGQNXWSSKQA-JKSUJKDBSA-N 1 0 311.470 2.224 10 0 DEAERO Cc1nc(C)c(CCNC(=O)c2c[nH+]ccc2N(C)C)s1 ZINC000183565303 402776647 /nfs/dbraw/zinc/77/66/47/402776647.db2.gz ZFPRZICIKTYHHN-UHFFFAOYSA-N 1 0 304.419 2.193 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000175086843 402778109 /nfs/dbraw/zinc/77/81/09/402778109.db2.gz AKTRDLGTRIBTMG-INIZCTEOSA-N 1 0 317.477 2.368 10 0 DEAERO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC([NH+](C)C)CC1 ZINC000175086643 402778138 /nfs/dbraw/zinc/77/81/38/402778138.db2.gz SSHUKMGZPOJHJE-QGZVFWFLSA-N 1 0 319.449 2.438 10 0 DEAERO C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)Oc1cccc(F)c1 ZINC000183588633 402778979 /nfs/dbraw/zinc/77/89/79/402778979.db2.gz XZZVGMZUNGNOPK-LBPRGKRZSA-N 1 0 317.364 2.484 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(F)c1F ZINC000175393479 402802660 /nfs/dbraw/zinc/80/26/60/402802660.db2.gz KNTPQISPMGDMNH-NSHDSACASA-N 1 0 318.389 2.070 10 0 DEAERO CC1(C)CN(C(=O)Cc2ccc(Br)s2)CC[NH2+]1 ZINC000175396724 402803273 /nfs/dbraw/zinc/80/32/73/402803273.db2.gz FCTUXVFTRNRTER-UHFFFAOYSA-N 1 0 317.252 2.264 10 0 DEAERO C[C@H](CC1CCCCC1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000194621920 402805796 /nfs/dbraw/zinc/80/57/96/402805796.db2.gz YFCABZAZVONBMY-ZBFHGGJFSA-N 1 0 311.470 2.317 10 0 DEAERO Cc1cc(C)cc(OC[C@H](O)CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000195339200 402842961 /nfs/dbraw/zinc/84/29/61/402842961.db2.gz TXCOQZFWRYHFEC-GOSISDBHSA-N 1 0 318.461 2.213 10 0 DEAERO CCc1c(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)[nH]c(C)c1C(C)=O ZINC000194664181 402808890 /nfs/dbraw/zinc/80/88/90/402808890.db2.gz JLZAONNQRIRJOU-CYBMUJFWSA-N 1 0 305.422 2.302 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175477733 402810161 /nfs/dbraw/zinc/81/01/61/402810161.db2.gz KTJSRKMMRZWZNK-HUUCEWRRSA-N 1 0 321.469 2.163 10 0 DEAERO CC(C)C(=O)Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000194705464 402811806 /nfs/dbraw/zinc/81/18/06/402811806.db2.gz MRHWTKIJVGMGJZ-HNNXBMFYSA-N 1 0 303.406 2.105 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000175521393 402814119 /nfs/dbraw/zinc/81/41/19/402814119.db2.gz MLTMMHJTDCZKDM-HOTGVXAUSA-N 1 0 309.454 2.073 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@H]2CCC[C@@H]21 ZINC000175521373 402814213 /nfs/dbraw/zinc/81/42/13/402814213.db2.gz MLTMMHJTDCZKDM-CVEARBPZSA-N 1 0 309.454 2.073 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H]2CCC[C@H]21 ZINC000175521352 402814322 /nfs/dbraw/zinc/81/43/22/402814322.db2.gz MLTMMHJTDCZKDM-JKSUJKDBSA-N 1 0 309.454 2.073 10 0 DEAERO CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[C@@H]1c2ccccc2NC1=O ZINC000194815337 402816961 /nfs/dbraw/zinc/81/69/61/402816961.db2.gz MJBJPAZYKJDLPI-UKRRQHHQSA-N 1 0 317.433 2.349 10 0 DEAERO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NC3CC3)CC2)C[C@H](C)O1 ZINC000175621124 402822083 /nfs/dbraw/zinc/82/20/83/402822083.db2.gz UIBFNHLMRBVQFS-OKILXGFUSA-N 1 0 309.454 2.070 10 0 DEAERO Cn1c2ccc(CN3CC[NH+](CC4CC4)CC3)cc2sc1=O ZINC000194991931 402825482 /nfs/dbraw/zinc/82/54/82/402825482.db2.gz MXPSWECRECRQTC-UHFFFAOYSA-N 1 0 317.458 2.128 10 0 DEAERO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000195031477 402827919 /nfs/dbraw/zinc/82/79/19/402827919.db2.gz CUBMUXICCZFZOI-LBPRGKRZSA-N 1 0 320.414 2.128 10 0 DEAERO CCOc1ccc(OCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000195093721 402830937 /nfs/dbraw/zinc/83/09/37/402830937.db2.gz SVXNECSBIYUMIT-HNNXBMFYSA-N 1 0 318.417 2.161 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)C1 ZINC000195309217 402840897 /nfs/dbraw/zinc/84/08/97/402840897.db2.gz XPFYLDRFHHVWDF-NEPJUHHUSA-N 1 0 312.360 2.333 10 0 DEAERO Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195311138 402841582 /nfs/dbraw/zinc/84/15/82/402841582.db2.gz IJGWZOSWEFLLQD-KRWDZBQOSA-N 1 0 324.428 2.409 10 0 DEAERO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000175152788 402784101 /nfs/dbraw/zinc/78/41/01/402784101.db2.gz RGLQOQQDROZEED-IUODEOHRSA-N 1 0 314.426 2.148 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1cccc2c1OCO2 ZINC000194152631 402786374 /nfs/dbraw/zinc/78/63/74/402786374.db2.gz KYNAQYKEPDERHN-CQSZACIVSA-N 1 0 321.421 2.191 10 0 DEAERO O=C(COc1ccc(F)cc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195318061 402841772 /nfs/dbraw/zinc/84/17/72/402841772.db2.gz PGAZYTXQDICLGI-LBPRGKRZSA-N 1 0 312.772 2.165 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2ncc(-c3cccc(F)c3)o2)CCO1 ZINC000175205452 402787896 /nfs/dbraw/zinc/78/78/96/402787896.db2.gz BKUVRQXBMKWUAF-HNNXBMFYSA-N 1 0 319.380 2.243 10 0 DEAERO CNC(=O)[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)C(C)C ZINC000183679717 402788109 /nfs/dbraw/zinc/78/81/09/402788109.db2.gz SCRAZBJVXFUSCE-AWEZNQCLSA-N 1 0 311.813 2.029 10 0 DEAERO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2CCCC2)cc1 ZINC000183681226 402788186 /nfs/dbraw/zinc/78/81/86/402788186.db2.gz RIMUHKNDPZMWFF-AWEZNQCLSA-N 1 0 312.417 2.454 10 0 DEAERO Cc1cn(-c2ccccc2)nc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184471929 402845970 /nfs/dbraw/zinc/84/59/70/402845970.db2.gz ICJRFRODSKUZMW-MRXNPFEDSA-N 1 0 310.401 2.101 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000176004946 402847152 /nfs/dbraw/zinc/84/71/52/402847152.db2.gz AKLMZVIBFXVDAK-UONOGXRCSA-N 1 0 305.422 2.424 10 0 DEAERO CCCCNC(=O)[C@H](C)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000195501659 402847636 /nfs/dbraw/zinc/84/76/36/402847636.db2.gz CQPXVMFBZDNLNU-AWEZNQCLSA-N 1 0 306.454 2.387 10 0 DEAERO CC(C)[C@@H](C)CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176045694 402850278 /nfs/dbraw/zinc/85/02/78/402850278.db2.gz SNECQFRVVXSDJH-LBPRGKRZSA-N 1 0 320.437 2.261 10 0 DEAERO Cc1ccc([C@H](C[NH2+][C@H]2CCCSC2)N2CCOCC2)o1 ZINC000195558452 402850955 /nfs/dbraw/zinc/85/09/55/402850955.db2.gz OHNUVOWZEHQQLX-GJZGRUSLSA-N 1 0 310.463 2.447 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000278964612 402890929 /nfs/dbraw/zinc/89/09/29/402890929.db2.gz GYVHCODEMGZEPP-OAHLLOKOSA-N 1 0 317.433 2.083 10 0 DEAERO C[C@H]1C[C@@H](C(=O)NCc2ccc3c(c2)OCCCO3)CC[N@@H+]1C ZINC000279324877 402930864 /nfs/dbraw/zinc/93/08/64/402930864.db2.gz CEZYQZATIUTEGP-ZFWWWQNUSA-N 1 0 318.417 2.194 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cn[nH]c(=O)c1Cl ZINC000274128247 403029549 /nfs/dbraw/zinc/02/95/49/403029549.db2.gz 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C/C=C\CNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638683007 405615285 /nfs/dbraw/zinc/61/52/85/405615285.db2.gz COESCXGDLNHAPG-IHWYPQMZSA-N 1 0 301.434 2.062 10 0 DEAERO Cc1cc(CCNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)on1 ZINC000557777807 405628352 /nfs/dbraw/zinc/62/83/52/405628352.db2.gz UWZPVRKAUTYTFJ-KGLIPLIRSA-N 1 0 308.426 2.088 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)c2ccc(Br)s2)C[NH2+]1 ZINC000638659162 405599543 /nfs/dbraw/zinc/59/95/43/405599543.db2.gz ZAXPXRQENDADOY-YUMQZZPRSA-N 1 0 303.225 2.381 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000494385523 405687838 /nfs/dbraw/zinc/68/78/38/405687838.db2.gz KRGOWPVWLCRTNH-HNNXBMFYSA-N 1 0 304.434 2.359 10 0 DEAERO c1ccc(N2CC[C@H](C[NH2+]CCN3CCSCC3)C2)cc1 ZINC000638866346 405726729 /nfs/dbraw/zinc/72/67/29/405726729.db2.gz JZGSAAVNLWVXJY-MRXNPFEDSA-N 1 0 305.491 2.151 10 0 DEAERO CC(=O)c1ccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)cc1O ZINC000636090500 405731773 /nfs/dbraw/zinc/73/17/73/405731773.db2.gz GOABVOMIKMLJHF-GJZGRUSLSA-N 1 0 304.390 2.053 10 0 DEAERO C[C@H]1CN(C(=O)c2sccc2Br)C[C@@H]1C[NH3+] ZINC000638885611 405741141 /nfs/dbraw/zinc/74/11/41/405741141.db2.gz CWOJWHFQWIXWLG-YUMQZZPRSA-N 1 0 303.225 2.177 10 0 DEAERO Cc1cc(Br)cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000638898610 405749119 /nfs/dbraw/zinc/74/91/19/405749119.db2.gz LPEATISMDKNFNH-ZYHUDNBSSA-N 1 0 311.223 2.424 10 0 DEAERO Cc1ccccc1CC(=O)N1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000494992709 405796394 /nfs/dbraw/zinc/79/63/94/405796394.db2.gz FIPYQZBBWIBMGR-MRXNPFEDSA-N 1 0 318.486 2.435 10 0 DEAERO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000495039250 405804383 /nfs/dbraw/zinc/80/43/83/405804383.db2.gz PQRFRJABMUNHDY-HDMKZQKVSA-N 1 0 315.461 2.489 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000450288014 405818659 /nfs/dbraw/zinc/81/86/59/405818659.db2.gz QGDUSVYBVZBGNO-ZDUSSCGKSA-N 1 0 300.196 2.221 10 0 DEAERO Cc1noc(CN2CC[NH+](CC3CCC(F)(F)CC3)CC2)n1 ZINC000459357849 405871151 /nfs/dbraw/zinc/87/11/51/405871151.db2.gz DGWXRONTALNNSQ-UHFFFAOYSA-N 1 0 314.380 2.321 10 0 DEAERO CCn1nncc1CN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000459371721 405876571 /nfs/dbraw/zinc/87/65/71/405876571.db2.gz KBAFTICGCBHOLG-JKSUJKDBSA-N 1 0 313.449 2.393 10 0 DEAERO CC[C@@H]1CN(Cc2cnnn2CC)CC[N@@H+]1Cc1ccccc1 ZINC000459401257 405888316 /nfs/dbraw/zinc/88/83/16/405888316.db2.gz LSKHEQXICHGYDZ-QGZVFWFLSA-N 1 0 313.449 2.394 10 0 DEAERO c1cc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)nc(N2CCOCC2)c1 ZINC000639065397 405856006 /nfs/dbraw/zinc/85/60/06/405856006.db2.gz GUFSVAWWULOZSG-OAGGEKHMSA-N 1 0 301.434 2.444 10 0 DEAERO CCN(Cc1cnnn1CC)Cc1ccc(OC)cc1OC ZINC000459333690 405859101 /nfs/dbraw/zinc/85/91/01/405859101.db2.gz ZXDOVECCPLSGCE-UHFFFAOYSA-N 1 0 304.394 2.337 10 0 DEAERO Cc1cc(CCNC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)on1 ZINC000561581842 405940230 /nfs/dbraw/zinc/94/02/30/405940230.db2.gz YGTLUOTVAMBIDR-VNHYZAJKSA-N 1 0 322.453 2.191 10 0 DEAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000531501553 405968148 /nfs/dbraw/zinc/96/81/48/405968148.db2.gz YBIOKVYAMJCPKU-AWEZNQCLSA-N 1 0 319.453 2.029 10 0 DEAERO Brc1cnn(CCC[NH2+]CCC[C@H]2CCO2)c1 ZINC000639184224 405953190 /nfs/dbraw/zinc/95/31/90/405953190.db2.gz LQDUHORJYQPSLY-LBPRGKRZSA-N 1 0 302.216 2.194 10 0 DEAERO O[C@@H](COC[C@H]1CCCO1)CN1Cc2cccc(Cl)c2C1 ZINC000561917570 405953405 /nfs/dbraw/zinc/95/34/05/405953405.db2.gz DLXHTUPXCYWWGP-ZIAGYGMSSA-N 1 0 311.809 2.212 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000561310753 405919699 /nfs/dbraw/zinc/91/96/99/405919699.db2.gz OEDVMMMZTLJKAU-KRWDZBQOSA-N 1 0 321.440 2.200 10 0 DEAERO Cc1cc(NC(=O)NC[C@H]2C[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000531189474 405923002 /nfs/dbraw/zinc/92/30/02/405923002.db2.gz BIJKJYCUYYOEDY-WCQYABFASA-N 1 0 305.426 2.236 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NCCOCC2CCC2)CC1 ZINC000562275906 405972819 /nfs/dbraw/zinc/97/28/19/405972819.db2.gz XIXDQTKHCGRLFM-UHFFFAOYSA-N 1 0 311.470 2.224 10 0 DEAERO COc1cccc2c1CC[N@H+](CCOC[C@@H]1CCCO1)CC2 ZINC000562333954 405986905 /nfs/dbraw/zinc/98/69/05/405986905.db2.gz FJYCXLHHSYJZFH-INIZCTEOSA-N 1 0 305.418 2.291 10 0 DEAERO COc1nsc(C[NH2+]CCC2(CO)CC2)c1Br ZINC000639241529 405997537 /nfs/dbraw/zinc/99/75/37/405997537.db2.gz CMJPXJKSSDTUJC-UHFFFAOYSA-N 1 0 321.240 2.166 10 0 DEAERO C[C@@H]1CC[N@H+](CCNC(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC000562402855 406003296 /nfs/dbraw/zinc/00/32/96/406003296.db2.gz FZGXJBFQXPMEKW-GFCCVEGCSA-N 1 0 303.381 2.389 10 0 DEAERO CC1(c2ccccc2)CCC([NH2+]C[C@@H](O)Cn2ccnn2)CC1 ZINC000459689278 406007536 /nfs/dbraw/zinc/00/75/36/406007536.db2.gz DANIFNFZOSUUGK-LXPRWKDFSA-N 1 0 314.433 2.129 10 0 DEAERO c1c2c(nnc1N1CCCC1)CC[N@@H+](CCC[C@@H]1CCO1)C2 ZINC000639341743 406056722 /nfs/dbraw/zinc/05/67/22/406056722.db2.gz ZWGKYPNHQATIAT-OAHLLOKOSA-N 1 0 302.422 2.004 10 0 DEAERO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532379332 406072013 /nfs/dbraw/zinc/07/20/13/406072013.db2.gz HMLRRNNTYYGDIK-AWEZNQCLSA-N 1 0 312.454 2.297 10 0 DEAERO c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@]3(C1)OCc1ccccc13)CC2 ZINC000639593872 406160572 /nfs/dbraw/zinc/16/05/72/406160572.db2.gz WVJJUTRSYLLYHS-MAUKXSAKSA-N 1 0 310.401 2.287 10 0 DEAERO CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639594277 406160631 /nfs/dbraw/zinc/16/06/31/406160631.db2.gz YXWFFZYMAUUQSU-MAUKXSAKSA-N 1 0 315.417 2.088 10 0 DEAERO CO[C@H](C)[C@@H](C)NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000518850559 406161159 /nfs/dbraw/zinc/16/11/59/406161159.db2.gz MWZYJHFLNVQCGB-KLHDSHLOSA-N 1 0 313.486 2.467 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@H]1CCCc2sccc21 ZINC000533817857 406163556 /nfs/dbraw/zinc/16/35/56/406163556.db2.gz LIQCEZZITIWHTJ-AWEZNQCLSA-N 1 0 301.415 2.213 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@](C)(OC)C2)CC1 ZINC000471975658 406134306 /nfs/dbraw/zinc/13/43/06/406134306.db2.gz BRQHLNZHZFBHLX-KRWDZBQOSA-N 1 0 311.470 2.319 10 0 DEAERO C(c1noc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1)C1CC1 ZINC000639543746 406138777 /nfs/dbraw/zinc/13/87/77/406138777.db2.gz OUOFUCJGWRDUKS-ZBFHGGJFSA-N 1 0 316.449 2.471 10 0 DEAERO O=C(c1cncc(Br)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567980242 406172248 /nfs/dbraw/zinc/17/22/48/406172248.db2.gz VCEKGIWJDILMRT-CQSZACIVSA-N 1 0 324.222 2.060 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2cn(C)nc2C(F)F)CC1 ZINC000534362442 406186860 /nfs/dbraw/zinc/18/68/60/406186860.db2.gz CMMXRGREIHTDHW-UHFFFAOYSA-N 1 0 314.380 2.210 10 0 DEAERO CC(C)[N@@H+]1CCCN(C(=O)c2cccc3ccc(=O)[nH]c32)CC1 ZINC000568134548 406195584 /nfs/dbraw/zinc/19/55/84/406195584.db2.gz DBIXFYPDKAQCRM-UHFFFAOYSA-N 1 0 313.401 2.497 10 0 DEAERO COc1cccc2c1[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000568217302 406216091 /nfs/dbraw/zinc/21/60/91/406216091.db2.gz NMXLLAMOMNCAMJ-AWEZNQCLSA-N 1 0 302.418 2.278 10 0 DEAERO O[C@@]1(C[NH2+]CC[C@H]2CC2(F)F)CCN(Cc2ccccc2)C1 ZINC000634722372 406245719 /nfs/dbraw/zinc/24/57/19/406245719.db2.gz OCAYZGMZXQFPNW-JKSUJKDBSA-N 1 0 310.388 2.258 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000545859408 406328785 /nfs/dbraw/zinc/32/87/85/406328785.db2.gz WYCAJDRVEUUHME-CQSZACIVSA-N 1 0 309.454 2.284 10 0 DEAERO CCCc1cc(NC(=O)NCC[N@H+]2CC=C(C)CC2)n(C)n1 ZINC000546584287 406363180 /nfs/dbraw/zinc/36/31/80/406363180.db2.gz LXCAUCRWVLWYRC-UHFFFAOYSA-N 1 0 305.426 2.146 10 0 DEAERO Cc1nn(C)c(CN2CCCCC[C@H]([NH3+])C2)c1Br ZINC000634997325 406390648 /nfs/dbraw/zinc/39/06/48/406390648.db2.gz IYQSMBQRKIAJHB-NSHDSACASA-N 1 0 315.259 2.194 10 0 DEAERO COc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000635000708 406393080 /nfs/dbraw/zinc/39/30/80/406393080.db2.gz UDQZDKUOMCVWHT-ZYHUDNBSSA-N 1 0 313.239 2.484 10 0 DEAERO CC(C)OC1CCC([NH2+][C@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634972788 406379444 /nfs/dbraw/zinc/37/94/44/406379444.db2.gz HVGQPQNBGZNCTE-NFOMZHRRSA-N 1 0 303.468 2.280 10 0 DEAERO COc1cccc(Cl)c1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634977633 406381646 /nfs/dbraw/zinc/38/16/46/406381646.db2.gz GRZKLDJILVMYCD-NSHDSACASA-N 1 0 317.838 2.406 10 0 DEAERO c1ccc(OCCN2CC[NH+](CCC[C@@H]3CCO3)CC2)cc1 ZINC000637867432 406454042 /nfs/dbraw/zinc/45/40/42/406454042.db2.gz ILQBROIKAPEWNJ-GOSISDBHSA-N 1 0 304.434 2.252 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCCc2ccccc21 ZINC000637869388 406454986 /nfs/dbraw/zinc/45/49/86/406454986.db2.gz VCPANHUINLAINY-GOSISDBHSA-N 1 0 323.440 2.425 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2oc(COC(C)(C)C)nc2C)C1 ZINC000571291597 406502729 /nfs/dbraw/zinc/50/27/29/406502729.db2.gz QDVNTSNFRWMMML-GFCCVEGCSA-N 1 0 309.410 2.122 10 0 DEAERO CC(C)[C@@H]1CCCCN1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638001146 406517930 /nfs/dbraw/zinc/51/79/30/406517930.db2.gz OXSKPSRMIGVPCT-MSOLQXFVSA-N 1 0 317.477 2.483 10 0 DEAERO C1CC[NH+]([C@H]2CCN(c3nnc(C4CCOCC4)s3)C2)C1 ZINC000549489290 406586310 /nfs/dbraw/zinc/58/63/10/406586310.db2.gz VLDBRILIQFOIPJ-ZDUSSCGKSA-N 1 0 308.451 2.107 10 0 DEAERO CCC(C)(C)[C@@H](C)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638408509 406754525 /nfs/dbraw/zinc/75/45/25/406754525.db2.gz ZJSNRFFSIDMTOV-GDBMZVCRSA-N 1 0 305.466 2.387 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)N2CCC(C3CCOCC3)CC2)CC[N@@H+]1C ZINC000554587493 406814570 /nfs/dbraw/zinc/81/45/70/406814570.db2.gz ARXMABWECISCFK-PBHICJAKSA-N 1 0 323.481 2.317 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000554546280 406810323 /nfs/dbraw/zinc/81/03/23/406810323.db2.gz KXVNTTOEGKWBQD-OAHLLOKOSA-N 1 0 321.396 2.145 10 0 DEAERO Brc1cccc(-c2noc([C@@H]3C[NH2+]CCOC3)n2)c1 ZINC000644511192 407133080 /nfs/dbraw/zinc/13/30/80/407133080.db2.gz FFBNAEBCYIBJOO-SNVBAGLBSA-N 1 0 324.178 2.203 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2cccc(O)c2)[C@H](C)C1 ZINC000128935966 196005540 /nfs/dbraw/zinc/00/55/40/196005540.db2.gz KYIGEEUNWIXQOW-RHSMWYFYSA-N 1 0 319.449 2.306 10 0 DEAERO CC(=O)CC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000129385941 196044311 /nfs/dbraw/zinc/04/43/11/196044311.db2.gz OLOVMUAICALUAY-UHFFFAOYSA-N 1 0 300.402 2.267 10 0 DEAERO CC(C)(C[NH2+][C@@H]1CCc2sc(Cl)cc21)NS(C)(=O)=O ZINC000129666675 196066056 /nfs/dbraw/zinc/06/60/56/196066056.db2.gz SSMWVMCTKIASTL-SECBINFHSA-N 1 0 322.883 2.306 10 0 DEAERO COCC[NH2+]C[C@@H](COC)c1ccc(Br)cc1 ZINC000129724794 196071294 /nfs/dbraw/zinc/07/12/94/196071294.db2.gz SQEAJCTZEJXQHT-LBPRGKRZSA-N 1 0 302.212 2.415 10 0 DEAERO CS(=O)(=O)Nc1ccc(NC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000130959169 196127069 /nfs/dbraw/zinc/12/70/69/196127069.db2.gz BVPSOUILCVDEOP-JTQLQIEISA-N 1 0 317.842 2.123 10 0 DEAERO CNc1ncc(Br)c(N[C@@H](C)C[NH+]2CCCC2)n1 ZINC000130870375 196119120 /nfs/dbraw/zinc/11/91/20/196119120.db2.gz GFELTCNKRLHWRG-VIFPVBQESA-N 1 0 314.231 2.177 10 0 DEAERO CCC[NH2+][C@@H](c1cccc2c1OCCC2)[C@@H](C)S(C)(=O)=O ZINC000131020827 196132682 /nfs/dbraw/zinc/13/26/82/196132682.db2.gz OCCLLGXPEGYVQE-IUODEOHRSA-N 1 0 311.447 2.485 10 0 DEAERO CN(Cc1ccc(F)c(Br)c1)C[C@H]1C[NH2+]CCO1 ZINC000131057961 196135498 /nfs/dbraw/zinc/13/54/98/196135498.db2.gz FDFXEFBJZMGRDW-LLVKDONJSA-N 1 0 317.202 2.008 10 0 DEAERO CN(Cc1ccc(F)c(Br)c1)C[C@@H]1C[NH2+]CCO1 ZINC000131057712 196135848 /nfs/dbraw/zinc/13/58/48/196135848.db2.gz FDFXEFBJZMGRDW-NSHDSACASA-N 1 0 317.202 2.008 10 0 DEAERO CC(C)[NH+](CCNC(=O)N1CC[C@@H]2OCCC[C@@H]2C1)C(C)C ZINC000131116324 196141674 /nfs/dbraw/zinc/14/16/74/196141674.db2.gz UDSCAKDCZWEXQE-CVEARBPZSA-N 1 0 311.470 2.316 10 0 DEAERO CC(C)[NH+](CCNC(=O)N1CC[C@H]2OCCC[C@@H]2C1)C(C)C ZINC000131116121 196142059 /nfs/dbraw/zinc/14/20/59/196142059.db2.gz UDSCAKDCZWEXQE-HZPDHXFCSA-N 1 0 311.470 2.316 10 0 DEAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC[C@@H](C)OCC)c1 ZINC000131229843 196152496 /nfs/dbraw/zinc/15/24/96/196152496.db2.gz CMAVAVVKOGXHNJ-CHWSQXEVSA-N 1 0 314.451 2.060 10 0 DEAERO COc1ccc2c(N)c(C(=O)NC[C@H](C)[NH+](C)C)sc2c1 ZINC000131247888 196153186 /nfs/dbraw/zinc/15/31/86/196153186.db2.gz KMIRWHKBJZOZCX-VIFPVBQESA-N 1 0 307.419 2.172 10 0 DEAERO C[NH+](C)C1CCN(Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000131301521 196157784 /nfs/dbraw/zinc/15/77/84/196157784.db2.gz KRAWMDMVCTVNKC-UHFFFAOYSA-N 1 0 319.840 2.447 10 0 DEAERO Cc1cc(Br)cc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000131483075 196173594 /nfs/dbraw/zinc/17/35/94/196173594.db2.gz JSIQWKUICOXNEP-RYUDHWBXSA-N 1 0 309.207 2.049 10 0 DEAERO C[C@@H](C[NH+](C)C)N1C(=O)C2(CCCC2)N[C@H]1c1cccs1 ZINC000131648864 196186794 /nfs/dbraw/zinc/18/67/94/196186794.db2.gz YPBRUAAYBFEXKP-GXTWGEPZSA-N 1 0 307.463 2.441 10 0 DEAERO CCCCOCCOCCOCCO[C@H](CC)C[NH2+]CC ZINC000131644930 196186860 /nfs/dbraw/zinc/18/68/60/196186860.db2.gz NMYBBSCZUJFHTH-MRXNPFEDSA-N 1 0 305.459 2.241 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(O[C@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000131750781 196196029 /nfs/dbraw/zinc/19/60/29/196196029.db2.gz DVFYNSLASQNICH-PWSUYJOCSA-N 1 0 301.383 2.062 10 0 DEAERO C[NH2+]Cc1cccc(CS(=O)(=O)N2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000131780392 196198252 /nfs/dbraw/zinc/19/82/52/196198252.db2.gz CRRYBMFXUNOKKC-KGLIPLIRSA-N 1 0 310.463 2.214 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCOCC1 ZINC000132062604 196222815 /nfs/dbraw/zinc/22/28/15/196222815.db2.gz HDDQLFJMLHSGPH-UHFFFAOYSA-N 1 0 304.268 2.032 10 0 DEAERO CCCn1nc(C)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000132179538 196233838 /nfs/dbraw/zinc/23/38/38/196233838.db2.gz UJBDBCSHGZNPIC-IUODEOHRSA-N 1 0 306.454 2.465 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2sc3cccnc3c2N)C1 ZINC000132214171 196236345 /nfs/dbraw/zinc/23/63/45/196236345.db2.gz RYFKPNMPUPBRPN-JTQLQIEISA-N 1 0 304.419 2.093 10 0 DEAERO C[C@H]1CN(c2nc(NN)[nH+]cc2Br)CC[C@@H]1C ZINC000132224455 196236757 /nfs/dbraw/zinc/23/67/57/196236757.db2.gz LYTJNZCOLQSUNF-YUMQZZPRSA-N 1 0 300.204 2.007 10 0 DEAERO CCCCN(CC[NH3+])c1nccn2nc(C(F)(F)F)cc12 ZINC000132318674 196245466 /nfs/dbraw/zinc/24/54/66/196245466.db2.gz UMVRZKLANCZAGU-UHFFFAOYSA-N 1 0 301.316 2.313 10 0 DEAERO C[C@H]1N[C@@H](c2cccs2)N(CC2([NH+](C)C)CCCC2)C1=O ZINC000132446901 196257227 /nfs/dbraw/zinc/25/72/27/196257227.db2.gz MECIPWCHRMTLBO-TZMCWYRMSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H](COCc2cccc(F)c2Br)O1 ZINC000132495191 196259163 /nfs/dbraw/zinc/25/91/63/196259163.db2.gz OXTFFPOEXQSJRV-MWLCHTKSSA-N 1 0 318.186 2.482 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H](COCc2ccc(Br)cc2F)O1 ZINC000132703284 196277451 /nfs/dbraw/zinc/27/74/51/196277451.db2.gz OGJDLLQLAPFXAI-BXKDBHETSA-N 1 0 318.186 2.482 10 0 DEAERO CCOc1cncc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000132821650 196286979 /nfs/dbraw/zinc/28/69/79/196286979.db2.gz CKWTYUTVOYDIKU-HUUCEWRRSA-N 1 0 320.437 2.055 10 0 DEAERO O=C([C@@H]1CCCc2n[nH]cc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000133008203 196304324 /nfs/dbraw/zinc/30/43/24/196304324.db2.gz CZBJCXQOUUTWAC-OAHLLOKOSA-N 1 0 316.449 2.164 10 0 DEAERO O=C(NCC[C@@H]1CCC[NH2+]1)c1sccc1Br ZINC000133104354 196311431 /nfs/dbraw/zinc/31/14/31/196311431.db2.gz JSHYPRIPSISTTM-QMMMGPOBSA-N 1 0 303.225 2.383 10 0 DEAERO CCc1cnc([C@H](C)Nc2cc(NN)[nH+]c(COC)n2)s1 ZINC000133161040 196317363 /nfs/dbraw/zinc/31/73/63/196317363.db2.gz SAQFQMZYCABNIW-QMMMGPOBSA-N 1 0 308.411 2.101 10 0 DEAERO CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1occc1C ZINC000133190727 196319734 /nfs/dbraw/zinc/31/97/34/196319734.db2.gz GANNZJBDVUVLLB-ZIAGYGMSSA-N 1 0 314.451 2.300 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000133253239 196325186 /nfs/dbraw/zinc/32/51/86/196325186.db2.gz VQOKPIVYTRYUPO-DYVFJYSZSA-N 1 0 320.408 2.474 10 0 DEAERO CCCS(=O)(=O)c1ccccc1N1CCC[C@H]([NH2+]CC)C1 ZINC000133566048 196331128 /nfs/dbraw/zinc/33/11/28/196331128.db2.gz MCRNYCBLEDAKOB-AWEZNQCLSA-N 1 0 310.463 2.449 10 0 DEAERO CC[C@]1(C(=O)Nc2cccc(Br)c2O)CC[NH2+]C1 ZINC000133801530 196336764 /nfs/dbraw/zinc/33/67/64/196336764.db2.gz WVTMRECXPRVVSQ-ZDUSSCGKSA-N 1 0 313.195 2.483 10 0 DEAERO C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)C(=O)NCC(F)(F)F ZINC000133823362 196338889 /nfs/dbraw/zinc/33/88/89/196338889.db2.gz FIKMAYFMGYOQFV-MRVPVSSYSA-N 1 0 310.266 2.164 10 0 DEAERO C[C@H]([NH2+]CCc1cc(F)cc(F)c1)C(=O)NCC(F)(F)F ZINC000133823165 196338923 /nfs/dbraw/zinc/33/89/23/196338923.db2.gz FIKMAYFMGYOQFV-QMMMGPOBSA-N 1 0 310.266 2.164 10 0 DEAERO CC[NH2+][C@H](c1c(Br)cnn1C)[C@@H]1CCO[C@@H]1C ZINC000133862992 196341089 /nfs/dbraw/zinc/34/10/89/196341089.db2.gz CSPIATZILCEYFZ-KKZNHRDASA-N 1 0 302.216 2.258 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)C1CCOCC1)c1cc(C)cc(C)c1 ZINC000133972124 196350307 /nfs/dbraw/zinc/35/03/07/196350307.db2.gz VBWKQSALVJLYPD-INIZCTEOSA-N 1 0 311.447 2.158 10 0 DEAERO [NH3+]Cc1ccc(-c2nn3c(nnc3C3CCCC3)s2)nc1 ZINC000134030807 196354885 /nfs/dbraw/zinc/35/48/85/196354885.db2.gz JFRDAMNPVUEZAK-UHFFFAOYSA-N 1 0 300.391 2.364 10 0 DEAERO [NH3+][C@@H](Cc1ccc(Cl)cc1F)[C@@H]1CCCCS1(=O)=O ZINC000134222695 196372229 /nfs/dbraw/zinc/37/22/29/196372229.db2.gz LGYXDICJTJWYQH-STQMWFEESA-N 1 0 305.802 2.316 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H]([NH3+])C[C@H](C)OC ZINC000134451436 196393177 /nfs/dbraw/zinc/39/31/77/196393177.db2.gz MQZSYPMYMQHZMX-WPRPVWTQSA-N 1 0 304.232 2.269 10 0 DEAERO COC(=O)c1ccc(Cl)c(NC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000134496849 196396511 /nfs/dbraw/zinc/39/65/11/196396511.db2.gz FGNPNSBEWKTDEZ-JTQLQIEISA-N 1 0 310.781 2.455 10 0 DEAERO CCC(CC)[C@@H](C[NH2+]CCNC(=O)OC(C)(C)C)N(C)C ZINC000134525190 196398489 /nfs/dbraw/zinc/39/84/89/196398489.db2.gz OJFZZHIVPBBLBB-CQSZACIVSA-N 1 0 301.475 2.467 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])[C@@H]2SCCS[C@H]2C)c1Cl ZINC000135774913 196503866 /nfs/dbraw/zinc/50/38/66/196503866.db2.gz BITCXLIEOZWBSK-HOTUBEGUSA-N 1 0 305.900 2.489 10 0 DEAERO CC[C@H]1CC[C@H](C)N1S(=O)(=O)Cc1ccc(C[NH2+]C)cc1 ZINC000136769431 196552729 /nfs/dbraw/zinc/55/27/29/196552729.db2.gz MEKXAGCGVYGZFG-BBRMVZONSA-N 1 0 310.463 2.499 10 0 DEAERO C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171707973 287312367 /nfs/dbraw/zinc/31/23/67/287312367.db2.gz GIDZNRFQENDKHL-BRWVUGGUSA-N 1 0 307.482 2.242 10 0 DEAERO Cc1ccn(-c2ccccc2NC(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000151228474 196651116 /nfs/dbraw/zinc/65/11/16/196651116.db2.gz OZHMAVWRSAZZLG-AWEZNQCLSA-N 1 0 313.405 2.349 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)CC2(CO)CC2)cc1C ZINC000190008741 225072146 /nfs/dbraw/zinc/07/21/46/225072146.db2.gz KXDQXSQTJUPPMC-HNNXBMFYSA-N 1 0 304.434 2.185 10 0 DEAERO c1ccc(CN(CCOCC2CC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000261660462 225253794 /nfs/dbraw/zinc/25/37/94/225253794.db2.gz NRMGPZBOYDVYQQ-SFHVURJKSA-N 1 0 303.450 2.452 10 0 DEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(F)c1Br ZINC000295938220 225398251 /nfs/dbraw/zinc/39/82/51/225398251.db2.gz AYZCDFJHTSURHF-LDYMZIIASA-N 1 0 315.186 2.345 10 0 DEAERO CCS(=O)(=O)N1CC(CNc2cc(C)[nH+]c3ccccc23)C1 ZINC000302521598 230282788 /nfs/dbraw/zinc/28/27/88/230282788.db2.gz BVGAKXOTLFFKJM-UHFFFAOYSA-N 1 0 319.430 2.237 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)OCCCO2 ZINC000046860219 424822104 /nfs/dbraw/zinc/82/21/04/424822104.db2.gz WHDPYMGSQNDICM-AWEZNQCLSA-N 1 0 318.417 2.452 10 0 DEAERO O=S(=O)(c1ccc(Cl)s1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000520230412 424826796 /nfs/dbraw/zinc/82/67/96/424826796.db2.gz NTDGTIZQOIPMOJ-LBPRGKRZSA-N 1 0 320.867 2.166 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)NC1(C[NH3+])CCCCC1 ZINC000036961693 424807246 /nfs/dbraw/zinc/80/72/46/424807246.db2.gz NWFDMJAYNUBJRH-UHFFFAOYSA-N 1 0 300.399 2.074 10 0 DEAERO Cc1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)n(C)n1 ZINC000043434520 424811693 /nfs/dbraw/zinc/81/16/93/424811693.db2.gz DGQDALQCBBDIGH-CQSZACIVSA-N 1 0 301.394 2.153 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)c1 ZINC000105881658 424849329 /nfs/dbraw/zinc/84/93/29/424849329.db2.gz GKMKABGSKTZWOO-ZDUSSCGKSA-N 1 0 304.369 2.256 10 0 DEAERO C[C@@H](NC(=O)[C@H](C)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000193810964 424871439 /nfs/dbraw/zinc/87/14/39/424871439.db2.gz SBCWGGNHRGBPFH-CABCVRRESA-N 1 0 303.450 2.278 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1nc(C)c(C)s1 ZINC000177560007 424863539 /nfs/dbraw/zinc/86/35/39/424863539.db2.gz ZKSWXZZOTKNCTJ-ZDUSSCGKSA-N 1 0 310.467 2.386 10 0 DEAERO COC(C)(C)C[C@H](C)NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177565282 424864096 /nfs/dbraw/zinc/86/40/96/424864096.db2.gz OLVFQKYJPAGXIE-UONOGXRCSA-N 1 0 308.426 2.261 10 0 DEAERO c1ccc(-c2noc(CN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)nc1 ZINC000391115443 424918382 /nfs/dbraw/zinc/91/83/82/424918382.db2.gz GZVMVTXWWFARDE-UONOGXRCSA-N 1 0 313.405 2.096 10 0 DEAERO c1ccc(-c2noc(CN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)nc1 ZINC000391115438 424918780 /nfs/dbraw/zinc/91/87/80/424918780.db2.gz GZVMVTXWWFARDE-KBPBESRZSA-N 1 0 313.405 2.096 10 0 DEAERO Cc1cc(Br)ccc1C[NH2+]C1COCCOC1 ZINC000395171667 424920486 /nfs/dbraw/zinc/92/04/86/424920486.db2.gz DBYRVYVQPHYNPF-UHFFFAOYSA-N 1 0 300.196 2.263 10 0 DEAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ncccc1Br ZINC000401608736 424924075 /nfs/dbraw/zinc/92/40/75/424924075.db2.gz IXFWEMAVBSLAGZ-NSHDSACASA-N 1 0 324.222 2.249 10 0 DEAERO O[C@]1(CC[NH2+]Cc2cccc(F)c2Br)CCOC1 ZINC000404197244 424925980 /nfs/dbraw/zinc/92/59/80/424925980.db2.gz PSFUTDIEEXTMLC-CYBMUJFWSA-N 1 0 318.186 2.219 10 0 DEAERO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1nscc1Br ZINC000404800815 424929489 /nfs/dbraw/zinc/92/94/89/424929489.db2.gz VGPJXGWSBZUWSF-BKPPORCPSA-N 1 0 318.240 2.022 10 0 DEAERO CCO[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000405852214 424931569 /nfs/dbraw/zinc/93/15/69/424931569.db2.gz JXZCBFOHJFGTSW-NOZJJQNGSA-N 1 0 317.216 2.429 10 0 DEAERO CNc1ncc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000373839300 424888023 /nfs/dbraw/zinc/88/80/23/424888023.db2.gz NCIYDHYIWGHFCI-CYBMUJFWSA-N 1 0 322.478 2.712 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000584209891 424988774 /nfs/dbraw/zinc/98/87/74/424988774.db2.gz DBSITFIOGXKKLO-UHFFFAOYSA-N 1 0 308.426 2.922 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H]1c1ccc(N)nc1 ZINC000616610167 425097707 /nfs/dbraw/zinc/09/77/07/425097707.db2.gz OUZAABGNDZJLRG-ZDUSSCGKSA-N 1 0 306.410 2.325 10 0 DEAERO CC(C)CC(C)(C)CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000083646122 267380591 /nfs/dbraw/zinc/38/05/91/267380591.db2.gz IFYSZNXAFLHTPB-UHFFFAOYSA-N 1 0 313.486 2.470 10 0 DEAERO C[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)[C@H]1CCO ZINC000661492359 425423504 /nfs/dbraw/zinc/42/35/04/425423504.db2.gz YIVNOWRSUFWACU-NXHRZFHOSA-N 1 0 307.434 2.047 10 0 DEAERO CNC(=O)[C@@H]([NH2+]CCOc1ccc(F)cc1Cl)C(C)C ZINC000183638329 267628778 /nfs/dbraw/zinc/62/87/78/267628778.db2.gz JZMXQAFIZMQAOW-ZDUSSCGKSA-N 1 0 302.777 2.218 10 0 DEAERO O=C(NCCC1=CCCCCC1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000185265198 267644483 /nfs/dbraw/zinc/64/44/83/267644483.db2.gz ZRBBKSOGZYQACB-KRWDZBQOSA-N 1 0 323.481 2.413 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC000190669774 267710381 /nfs/dbraw/zinc/71/03/81/267710381.db2.gz UNBWRPPLOPNEGI-ZBFHGGJFSA-N 1 0 311.470 2.175 10 0 DEAERO [NH3+][C@@H]1CCc2ncc(NC(=O)N3C[C@@H]4CCC[C@H]4C3)cc2C1 ZINC000333282705 268918926 /nfs/dbraw/zinc/91/89/26/268918926.db2.gz HVCSWGNJVOWEEC-SGMGOOAPSA-N 1 0 300.406 2.161 10 0 DEAERO O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000333647595 268970441 /nfs/dbraw/zinc/97/04/41/268970441.db2.gz VHQABDAVORRQQU-RBSFLKMASA-N 1 0 323.824 2.221 10 0 DEAERO O=C(NCCc1nc2c(s1)CCCC2)N[C@@H]1CCCC[NH2+]C1 ZINC000333700737 268979905 /nfs/dbraw/zinc/97/99/05/268979905.db2.gz DIBRPVHBVVVPNU-GFCCVEGCSA-N 1 0 322.478 2.006 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nnnn3CC1)CCC2 ZINC000333759758 268988531 /nfs/dbraw/zinc/98/85/31/268988531.db2.gz PABDHMMNOYGGTF-XJKSGUPXSA-N 1 0 313.405 2.054 10 0 DEAERO CCC(CC)[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000333863790 268998512 /nfs/dbraw/zinc/99/85/12/268998512.db2.gz ZYXZQBKGHHYSPI-OAGGEKHMSA-N 1 0 311.470 2.412 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1cccc(Br)c1 ZINC000395199320 269101855 /nfs/dbraw/zinc/10/18/55/269101855.db2.gz CGZWKXATAQCFFR-GXFFZTMASA-N 1 0 311.223 2.453 10 0 DEAERO CC1(CC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000401300805 269112195 /nfs/dbraw/zinc/11/21/95/269112195.db2.gz KRAMFQYKGQIUBU-UHFFFAOYSA-N 1 0 316.445 2.320 10 0 DEAERO CN1CCOc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cc21 ZINC000246257164 273908023 /nfs/dbraw/zinc/90/80/23/273908023.db2.gz KNCZLXGMEVIIGE-CFVMTHIKSA-N 1 0 315.417 2.374 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCc3ccccc3C2)CC[C@H]1C ZINC000251525387 274066606 /nfs/dbraw/zinc/06/66/06/274066606.db2.gz CXPRUWLDSXWYMT-IIDMSEBBSA-N 1 0 316.445 2.317 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091344117 274261344 /nfs/dbraw/zinc/26/13/44/274261344.db2.gz RXCRBYVECSSJNF-PWSUYJOCSA-N 1 0 320.824 2.498 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000105881638 274830203 /nfs/dbraw/zinc/83/02/03/274830203.db2.gz DLXGJWIOWQTOQD-OAHLLOKOSA-N 1 0 300.406 2.425 10 0 DEAERO O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249825363 275006282 /nfs/dbraw/zinc/00/62/82/275006282.db2.gz JUDCAEKZPOSTTK-ZFWWWQNUSA-N 1 0 320.820 2.198 10 0 DEAERO O=C1[C@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CCN1c1ccccc1 ZINC000152969510 275030301 /nfs/dbraw/zinc/03/03/01/275030301.db2.gz UNBKOWTZPXTSPV-DJIMGWMZSA-N 1 0 300.402 2.293 10 0 DEAERO O[C@@H](C[N@@H+]1CCC[C@H](n2cncn2)C1)c1cccc(Cl)c1 ZINC000174785795 275051296 /nfs/dbraw/zinc/05/12/96/275051296.db2.gz JFEQASVIQOSATG-GJZGRUSLSA-N 1 0 306.797 2.302 10 0 DEAERO c1ccc2c(c1)CC[C@H](C[NH+]1CCN(c3cccnn3)CC1)C2 ZINC000359603892 275069879 /nfs/dbraw/zinc/06/98/79/275069879.db2.gz CLWJXQWPFIPQJC-INIZCTEOSA-N 1 0 308.429 2.404 10 0 DEAERO Brc1cncnc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420253170 275377925 /nfs/dbraw/zinc/37/79/25/275377925.db2.gz DJEXTILCXOJVLK-NSHDSACASA-N 1 0 311.227 2.065 10 0 DEAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCNC2=O)cc1 ZINC000067127589 275748076 /nfs/dbraw/zinc/74/80/76/275748076.db2.gz NZBBQCQUDLERIV-STQMWFEESA-N 1 0 303.406 2.401 10 0 DEAERO CC(C)c1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)nn1C ZINC000174176914 276043883 /nfs/dbraw/zinc/04/38/83/276043883.db2.gz TYOFDHNPVHRALS-UHFFFAOYSA-N 1 0 304.438 2.244 10 0 DEAERO CCS(=O)(=O)c1ccc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000249100583 276393592 /nfs/dbraw/zinc/39/35/92/276393592.db2.gz PIKSOMDSYXKAGT-CZUORRHYSA-N 1 0 308.447 2.011 10 0 DEAERO C(CN1C[C@H]2CC[C@@H](C1)O2)[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000453346886 276810820 /nfs/dbraw/zinc/81/08/20/276810820.db2.gz PAKLTMWWOQXQMW-QXDIGNSFSA-N 1 0 308.466 2.035 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000246424355 277155669 /nfs/dbraw/zinc/15/56/69/277155669.db2.gz ARNCWOWBZVZXLE-FUHWJXTLSA-N 1 0 324.428 2.429 10 0 DEAERO C[N@H+]1C[C@H]2CN(Cc3nc(-c4ccc(Cl)cc4)no3)C[C@H]2C1 ZINC000193656568 277198567 /nfs/dbraw/zinc/19/85/67/277198567.db2.gz GBNUDTQHLIFFAE-BETUJISGSA-N 1 0 318.808 2.383 10 0 DEAERO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1c(C)nn(C)c1OC ZINC000187990685 277246477 /nfs/dbraw/zinc/24/64/77/277246477.db2.gz VTNQEYFESVZXGQ-MRXNPFEDSA-N 1 0 317.433 2.427 10 0 DEAERO CC(C)(C)n1cc(CN2CCCC[C@H]([NH+]3CCCC3)C2)nn1 ZINC000191299229 277284461 /nfs/dbraw/zinc/28/44/61/277284461.db2.gz IBRWEXPDCCMTHK-INIZCTEOSA-N 1 0 305.470 2.483 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@H](n2cc(C(=O)NC3CCCC3)nn2)C1 ZINC000012328810 277397466 /nfs/dbraw/zinc/39/74/66/277397466.db2.gz LYEFFGKEMCSSAD-HNNXBMFYSA-N 1 0 319.453 2.243 10 0 DEAERO COC1([C@H](C)[NH2+]CC[C@@H]2COc3ccccc3O2)CCOCC1 ZINC000453136256 277473714 /nfs/dbraw/zinc/47/37/14/277473714.db2.gz BEMPHHCDRYKSHH-LSDHHAIUSA-N 1 0 321.417 2.390 10 0 DEAERO CO[C@@H]1CCN(Cc2cc(=O)oc3cc(C)ccc23)[C@@H](C[NH3+])C1 ZINC000261902645 277656544 /nfs/dbraw/zinc/65/65/44/277656544.db2.gz PDECDRKWXCSNIW-HUUCEWRRSA-N 1 0 316.401 2.040 10 0 DEAERO C[C@@H]1CCC[C@@](CNC(=O)N2CCOCC[C@@H]2C)([NH+](C)C)C1 ZINC000371425703 277714446 /nfs/dbraw/zinc/71/44/46/277714446.db2.gz UPZLSZQEVNHBIR-HLLBOEOZSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H]1C ZINC000248367878 277730621 /nfs/dbraw/zinc/73/06/21/277730621.db2.gz UONBOJKILOXYTB-TUVASFSCSA-N 1 0 302.484 2.072 10 0 DEAERO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)CCN1C ZINC000135123534 278014052 /nfs/dbraw/zinc/01/40/52/278014052.db2.gz RUZAHURDSDOXES-NVXWUHKLSA-N 1 0 303.450 2.454 10 0 DEAERO CC(=O)N1CC[C@H](N[C@H]2C[NH2+]CCC2(F)F)c2ccccc2C1 ZINC000423481287 278057492 /nfs/dbraw/zinc/05/74/92/278057492.db2.gz NZELBEIEUOTMPC-HOTGVXAUSA-N 1 0 323.387 2.067 10 0 DEAERO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)C1CC1 ZINC000246565089 278160191 /nfs/dbraw/zinc/16/01/91/278160191.db2.gz HKHJPBFVELLBBH-KMFMINBZSA-N 1 0 306.450 2.277 10 0 DEAERO C[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)CS(C)(=O)=O ZINC000368269122 278188786 /nfs/dbraw/zinc/18/87/86/278188786.db2.gz FDWBLXGISSKIAZ-KLHDSHLOSA-N 1 0 317.495 2.073 10 0 DEAERO C[C@@H]([NH2+]CCCn1ccnn1)c1ccc2c(c1)OCCCO2 ZINC000181981764 278346323 /nfs/dbraw/zinc/34/63/23/278346323.db2.gz JQVFFGRULLNSKU-CYBMUJFWSA-N 1 0 302.378 2.180 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000186675609 278564567 /nfs/dbraw/zinc/56/45/67/278564567.db2.gz PRTLYYWFFKMYKV-BMIGLBTASA-N 1 0 318.808 2.458 10 0 DEAERO CC(C)CN(CC(F)(F)F)C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261669356 278847898 /nfs/dbraw/zinc/84/78/98/278847898.db2.gz IWKIBNCISGGPMT-GFCCVEGCSA-N 1 0 323.403 2.093 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000178563333 279127496 /nfs/dbraw/zinc/12/74/96/279127496.db2.gz MQVCRHQYLWPNSZ-HLLBOEOZSA-N 1 0 313.486 2.203 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1n[nH]c2c1CCCCC2 ZINC000190272109 279133229 /nfs/dbraw/zinc/13/32/29/279133229.db2.gz SIYMIAOYOWJQMP-CYBMUJFWSA-N 1 0 306.454 2.385 10 0 DEAERO C[C@H](C(=O)N1CCCC[C@H]1c1nc[nH]n1)[C@H]([NH3+])c1ccccc1 ZINC000245776963 279193593 /nfs/dbraw/zinc/19/35/93/279193593.db2.gz YFYSXOINBMRISR-QEJZJMRPSA-N 1 0 313.405 2.194 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000261544202 279237827 /nfs/dbraw/zinc/23/78/27/279237827.db2.gz IOTWFWFTCLDYSW-NVXWUHKLSA-N 1 0 303.450 2.237 10 0 DEAERO C[C@H]1Oc2ccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)cc2NC1=O ZINC000261935758 280080220 /nfs/dbraw/zinc/08/02/20/280080220.db2.gz TZMVBYGCISIQII-QMTHXVAHSA-N 1 0 317.389 2.123 10 0 DEAERO Cc1c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)nnn1C(C)C ZINC000328801629 280204776 /nfs/dbraw/zinc/20/47/76/280204776.db2.gz AJIOGUBPGXOFRL-OAHLLOKOSA-N 1 0 319.453 2.258 10 0 DEAERO CC[C@H]1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000329019508 281083748 /nfs/dbraw/zinc/08/37/48/281083748.db2.gz LIOUWOGJCZIYOU-ZOMKSWQUSA-N 1 0 304.438 2.250 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)NCc1cscn1)c1ccccc1 ZINC000051749756 281471431 /nfs/dbraw/zinc/47/14/31/281471431.db2.gz CWWRFLQNNUXCAL-CQSZACIVSA-N 1 0 304.419 2.245 10 0 DEAERO COC[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccco1 ZINC000125361203 281812181 /nfs/dbraw/zinc/81/21/81/281812181.db2.gz RHOVRIGBYVKUDH-YMAMQOFZSA-N 1 0 323.437 2.387 10 0 DEAERO Cc1ncc(C[NH2+]CC[C@@H](C)[S@](C)=O)n1-c1ccccc1 ZINC000129317700 281909374 /nfs/dbraw/zinc/90/93/74/281909374.db2.gz GMESAEGRBBTVBC-LRTDBIEQSA-N 1 0 305.447 2.427 10 0 DEAERO C[NH+](C)C1(CNC(=O)N2CCC[C@H]2c2ccco2)CCOCC1 ZINC000116552235 282032451 /nfs/dbraw/zinc/03/24/51/282032451.db2.gz IFNHDKNTEKOHQX-AWEZNQCLSA-N 1 0 321.421 2.237 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000191536813 288865757 /nfs/dbraw/zinc/86/57/57/288865757.db2.gz JSVZSLOPWSWHTG-IMJJTQAJSA-N 1 0 302.418 2.321 10 0 DEAERO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000185922736 289155423 /nfs/dbraw/zinc/15/54/23/289155423.db2.gz ADACWYJPTKRZRR-INIZCTEOSA-N 1 0 323.824 2.399 10 0 DEAERO Cc1csc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)n1 ZINC000129106661 293041802 /nfs/dbraw/zinc/04/18/02/293041802.db2.gz WPIXXQCZULNZCP-CHWSQXEVSA-N 1 0 319.434 2.360 10 0 DEAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ncccn2)cc1F ZINC000112518079 295209809 /nfs/dbraw/zinc/20/98/09/295209809.db2.gz VFEJMMQZFFLRIG-GHMZBOCLSA-N 1 0 318.352 2.302 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000246218182 295311039 /nfs/dbraw/zinc/31/10/39/295311039.db2.gz GKJBOGYRKQAQQT-YNEHKIRRSA-N 1 0 323.387 2.177 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(C)nc1C(C)(C)C ZINC000092472525 300314818 /nfs/dbraw/zinc/31/48/18/300314818.db2.gz BFKMRVNXJPJNGD-QWHCGFSZSA-N 1 0 304.438 2.026 10 0 DEAERO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000170858311 300930786 /nfs/dbraw/zinc/93/07/86/300930786.db2.gz YBHVOEMYGPUCFD-LBPRGKRZSA-N 1 0 317.433 2.254 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N(C)[C@H]2CC[NH2+]C2)cc1 ZINC000262575355 301764496 /nfs/dbraw/zinc/76/44/96/301764496.db2.gz ILIUPNMUGPXZCT-ULQDDVLXSA-N 1 0 302.418 2.283 10 0 DEAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000237929662 303488879 /nfs/dbraw/zinc/48/88/79/303488879.db2.gz GWJZYSACYHUEED-SFYZADRCSA-N 1 0 318.261 2.457 10 0 DEAERO CCC[NH+]1CCC(CNS(=O)(=O)CCc2ccccc2)CC1 ZINC000171098406 325717208 /nfs/dbraw/zinc/71/72/08/325717208.db2.gz AENOJOOQLBHEKC-UHFFFAOYSA-N 1 0 324.490 2.271 10 0 DEAERO Cc1cccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000174188102 325738808 /nfs/dbraw/zinc/73/88/08/325738808.db2.gz UCRHLAFBQPTUMD-OAHLLOKOSA-N 1 0 302.422 2.017 10 0 DEAERO O=c1ccccn1Cc1ccc(C[NH2+]CC2=CCCOC2)cc1 ZINC000176830778 325750675 /nfs/dbraw/zinc/75/06/75/325750675.db2.gz VPDXPTBRCFGHDV-UHFFFAOYSA-N 1 0 310.397 2.333 10 0 DEAERO O=C(NC[C@@H]1CCC2(CCCCC2)O1)N[C@@H]1CCCC[NH2+]C1 ZINC000333506125 325794821 /nfs/dbraw/zinc/79/48/21/325794821.db2.gz DWEAJWSXPOOTGR-CABCVRRESA-N 1 0 309.454 2.310 10 0 DEAERO C[NH+]1CCC(O)(C[NH2+]Cc2ccsc2Br)CC1 ZINC000397501372 337266805 /nfs/dbraw/zinc/26/68/05/337266805.db2.gz AIUKPVUHKQHDCV-UHFFFAOYSA-N 1 0 319.268 2.057 10 0 DEAERO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc2nccnc21 ZINC000584564037 337363046 /nfs/dbraw/zinc/36/30/46/337363046.db2.gz LIVXXXYVDCCSIL-AWEZNQCLSA-N 1 0 310.401 2.377 10 0 DEAERO Cn1c2ccc(C[NH2+]CC3(CO)CCCC3)cc2sc1=O ZINC000192743933 341885419 /nfs/dbraw/zinc/88/54/19/341885419.db2.gz AOQVLZZCYGVFTB-UHFFFAOYSA-N 1 0 306.431 2.242 10 0 DEAERO COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CCNC3=O)CCN2C2CC2)c1 ZINC000328721879 533759864 /nfs/dbraw/zinc/75/98/64/533759864.db2.gz XDQZAHKDOYQLOG-IXDOHACOSA-N 1 0 315.417 2.291 10 0 DEAERO COC(=O)[C@@H](C1CC1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444783059 534239452 /nfs/dbraw/zinc/23/94/52/534239452.db2.gz KIKZKZUNIDVURX-QGZVFWFLSA-N 1 0 317.429 2.255 10 0 DEAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCN(CC(F)(F)F)CC1 ZINC000053375031 518179004 /nfs/dbraw/zinc/17/90/04/518179004.db2.gz YXZDLHVIMUBFMP-KGLIPLIRSA-N 1 0 307.404 2.335 10 0 DEAERO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1ncnc2ccccc21 ZINC000301591440 534397944 /nfs/dbraw/zinc/39/79/44/534397944.db2.gz YEGICFUWJDFLPC-HUUCEWRRSA-N 1 0 312.417 2.055 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247272958 519785149 /nfs/dbraw/zinc/78/51/49/519785149.db2.gz JYSYQGFIXGHARH-UONOGXRCSA-N 1 0 305.422 2.327 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000106112331 519921095 /nfs/dbraw/zinc/92/10/95/519921095.db2.gz UOXMFQFKFCNZJN-HNNXBMFYSA-N 1 0 320.433 2.016 10 0 DEAERO CCOCC[C@H](O)C[NH+]1CCC(c2ccccc2CO)CC1 ZINC000365190153 520067520 /nfs/dbraw/zinc/06/75/20/520067520.db2.gz BOKCZXONOIOXBY-KRWDZBQOSA-N 1 0 307.434 2.146 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)C12CCC2 ZINC000247108778 520438830 /nfs/dbraw/zinc/43/88/30/520438830.db2.gz VMBUYADDLOHAGD-HRCADAONSA-N 1 0 316.449 2.383 10 0 DEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](CC)c2nccs2)C1(C)C ZINC000249112390 520453004 /nfs/dbraw/zinc/45/30/04/520453004.db2.gz NEUFZBRCMQEDNR-HFAKWTLXSA-N 1 0 311.451 2.243 10 0 DEAERO CCOc1ccc(OCC[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000156592167 521172477 /nfs/dbraw/zinc/17/24/77/521172477.db2.gz QLABPUOIRMESFV-UHFFFAOYSA-N 1 0 316.405 2.393 10 0 DEAERO CCOc1ccccc1OCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124247765 521558425 /nfs/dbraw/zinc/55/84/25/521558425.db2.gz NJAMYNDNTHNMDQ-HUUCEWRRSA-N 1 0 320.433 2.405 10 0 DEAERO CCCn1nc(C)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1C ZINC000246424393 521666626 /nfs/dbraw/zinc/66/66/26/521666626.db2.gz JXYNLWSDKMIEIA-DOMZBBRYSA-N 1 0 306.454 2.368 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000246567887 521826133 /nfs/dbraw/zinc/82/61/33/521826133.db2.gz UVKMUQGMBCDSKX-CWRNSKLLSA-N 1 0 317.433 2.014 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)CC1 ZINC000237144840 521950279 /nfs/dbraw/zinc/95/02/79/521950279.db2.gz NKDPGELNZNNIJR-UHFFFAOYSA-N 1 0 304.419 2.271 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCCCCOc2ccc(F)cc2)C1 ZINC000170827206 522101920 /nfs/dbraw/zinc/10/19/20/522101920.db2.gz PYVYRVGSDNEIPN-HNNXBMFYSA-N 1 0 323.412 2.330 10 0 DEAERO COCCCOC1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000122778026 523383794 /nfs/dbraw/zinc/38/37/94/523383794.db2.gz MGDKKOXJTAQNNQ-SFHVURJKSA-N 1 0 307.434 2.412 10 0 DEAERO CC[C@H](C(=O)N(C)Cc1cnn(-c2ccccc2)c1)[NH+](C)C ZINC000124603005 523753255 /nfs/dbraw/zinc/75/32/55/523753255.db2.gz WLXNKXKBSGSZNB-MRXNPFEDSA-N 1 0 300.406 2.171 10 0 DEAERO C[C@H](CNC(=O)N(C)[C@H](C)c1cnn(C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245920172 524395218 /nfs/dbraw/zinc/39/52/18/524395218.db2.gz QKDIZYGRUNDJLW-RBSFLKMASA-N 1 0 321.469 2.243 10 0 DEAERO C[C@@H](CCn1cccn1)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000159134867 524554468 /nfs/dbraw/zinc/55/44/68/524554468.db2.gz ZHPIMSHRPIXFMG-JTQLQIEISA-N 1 0 301.316 2.204 10 0 DEAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000127605132 524800726 /nfs/dbraw/zinc/80/07/26/524800726.db2.gz ZITABLRGSFOSKS-GDBMZVCRSA-N 1 0 301.390 2.203 10 0 DEAERO C[C@@H](NC(=O)CCCCCC[NH3+])c1ccc(-n2cncn2)cc1 ZINC000237551053 525082945 /nfs/dbraw/zinc/08/29/45/525082945.db2.gz VWTNTFVLLLPUPC-CQSZACIVSA-N 1 0 315.421 2.354 10 0 DEAERO Cc1ccc(OC[C@@H](O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c(C)c1 ZINC000248841287 525428676 /nfs/dbraw/zinc/42/86/76/525428676.db2.gz PTGMPQZQWSWRGE-YVSFHVDLSA-N 1 0 307.434 2.277 10 0 DEAERO Cc1ccc(OC[C@H](O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c(C)c1 ZINC000248841291 525439929 /nfs/dbraw/zinc/43/99/29/525439929.db2.gz PTGMPQZQWSWRGE-YYIAUSFCSA-N 1 0 307.434 2.277 10 0 DEAERO CC(=O)c1ccc(SCC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1F ZINC000261810418 534878554 /nfs/dbraw/zinc/87/85/54/534878554.db2.gz MOWGPOCNKAZJGS-CMPLNLGQSA-N 1 0 324.421 2.316 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCCN1CCOCC1)CC2 ZINC000374379518 534882249 /nfs/dbraw/zinc/88/22/49/534882249.db2.gz HETGUNWMBTYINU-UHFFFAOYSA-N 1 0 316.445 2.012 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000248748840 526228878 /nfs/dbraw/zinc/22/88/78/526228878.db2.gz FWLAHVHGNZINCG-LALPHHSUSA-N 1 0 313.825 2.313 10 0 DEAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(Cn2cccn2)CC1 ZINC000246302426 526505085 /nfs/dbraw/zinc/50/50/85/526505085.db2.gz OBQHMTBMWWFREV-BBWFWOEESA-N 1 0 316.449 2.042 10 0 DEAERO Brc1cnc(CN2CCC3(CC[NH2+]3)CC2)s1 ZINC000422562242 526649054 /nfs/dbraw/zinc/64/90/54/526649054.db2.gz PPYVJOLXYFOHFJ-UHFFFAOYSA-N 1 0 302.241 2.234 10 0 DEAERO COc1ccc(C[C@@H](C)[NH2+]Cc2nnc3n2CCCC3)cc1 ZINC000368186876 536503341 /nfs/dbraw/zinc/50/33/41/536503341.db2.gz BODUINSFQNPWJX-CYBMUJFWSA-N 1 0 300.406 2.344 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](NC(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000161653924 527403406 /nfs/dbraw/zinc/40/34/06/527403406.db2.gz MNQAETYDYINJGW-NWDGAFQWSA-N 1 0 310.344 2.314 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)CN1CCOCC1 ZINC000156743795 527589155 /nfs/dbraw/zinc/58/91/55/527589155.db2.gz YHGUMSBUDQAYQY-KBPBESRZSA-N 1 0 308.470 2.318 10 0 DEAERO CC(C)OC1CC([NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)C1 ZINC000189553470 527881961 /nfs/dbraw/zinc/88/19/61/527881961.db2.gz XPROTJMWCLAZIA-JEYLPNPQSA-N 1 0 315.417 2.331 10 0 DEAERO CC(C)COc1ccc(CN2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000190249190 528152694 /nfs/dbraw/zinc/15/26/94/528152694.db2.gz IIWWQAGYZKPJOS-INIZCTEOSA-N 1 0 306.450 2.220 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)CCc1cccs1 ZINC000195411839 528502709 /nfs/dbraw/zinc/50/27/09/528502709.db2.gz XHOJJGWPDQDJCE-CYBMUJFWSA-N 1 0 318.508 2.186 10 0 DEAERO CCCn1ccnc1CCC[N@H+](C)CC(=O)NC(C)(C)CC ZINC000191516986 528861192 /nfs/dbraw/zinc/86/11/92/528861192.db2.gz ACZAPUDOZNEDKW-UHFFFAOYSA-N 1 0 308.470 2.462 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000328913444 529056221 /nfs/dbraw/zinc/05/62/21/529056221.db2.gz PNIORELAZYBXBW-MRXNPFEDSA-N 1 0 315.417 2.249 10 0 DEAERO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([C@@H](O)C(N)=O)CC1 ZINC000299748219 529179059 /nfs/dbraw/zinc/17/90/59/529179059.db2.gz GLWKXVOUVCPSES-HUUCEWRRSA-N 1 0 310.825 2.349 10 0 DEAERO CC1(C)[C@H]([NH2+]CCn2cc(Br)cn2)[C@H]2CCO[C@@H]21 ZINC000368602865 535070888 /nfs/dbraw/zinc/07/08/88/535070888.db2.gz KZCXQMQVBDGUCD-UTUOFQBUSA-N 1 0 314.227 2.049 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000188243402 535276295 /nfs/dbraw/zinc/27/62/95/535276295.db2.gz RJOLLFRYQVWREM-INIZCTEOSA-N 1 0 313.486 2.157 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251779034 535293948 /nfs/dbraw/zinc/29/39/48/535293948.db2.gz ROHZLBCPHPRJGP-JYJNAYRXSA-N 1 0 309.454 2.070 10 0 DEAERO CC1(C)CN(CC(=O)Nc2ccc3c(c2)CCC3)CC[C@H]1[NH3+] ZINC000262563619 535354390 /nfs/dbraw/zinc/35/43/90/535354390.db2.gz WEEPUUXDJFQEIN-MRXNPFEDSA-N 1 0 301.434 2.173 10 0 DEAERO CC(C)c1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000189792044 535372486 /nfs/dbraw/zinc/37/24/86/535372486.db2.gz OJANEUFDWZOIIU-UHFFFAOYSA-N 1 0 315.417 2.055 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NCCC[C@H]2CCOC2)CC1 ZINC000454644399 535447643 /nfs/dbraw/zinc/44/76/43/535447643.db2.gz HHYBRDJBZNAKMR-INIZCTEOSA-N 1 0 311.470 2.224 10 0 DEAERO CCOCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000252444684 535496624 /nfs/dbraw/zinc/49/66/24/535496624.db2.gz ZQPPGPKEFGKOBR-NVXWUHKLSA-N 1 0 319.449 2.225 10 0 DEAERO CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261846872 535512575 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CCNC(=[NH2+])N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000052038481 535786426 /nfs/dbraw/zinc/78/64/26/535786426.db2.gz VQHQZCJUCALIPE-UHFFFAOYSA-N 1 0 300.328 2.372 10 0 DEAERO CCc1noc(C)c1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000458835190 535880225 /nfs/dbraw/zinc/88/02/25/535880225.db2.gz CNNQVLURYLYDKG-UHFFFAOYSA-N 1 0 308.426 2.029 10 0 DEAERO CCc1noc(C)c1CNC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000455018005 535880901 /nfs/dbraw/zinc/88/09/01/535880901.db2.gz XTQFJAAUQBXUGK-RYUDHWBXSA-N 1 0 308.426 2.170 10 0 DEAERO CN(C(=O)C[C@H]1CCOc2ccccc21)[C@H]1CCC[N@H+](C)C1 ZINC000247441863 536005380 /nfs/dbraw/zinc/00/53/80/536005380.db2.gz PNKOMVWPOYMXCU-CABCVRRESA-N 1 0 302.418 2.495 10 0 DEAERO CCc1nc(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)cs1 ZINC000246868475 536130007 /nfs/dbraw/zinc/13/00/07/536130007.db2.gz DSZGMIVASUDNTE-ZIAGYGMSSA-N 1 0 307.463 2.333 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc([C@@H]2CCCN2C(=O)c2cccs2)n1 ZINC000261605897 536350263 /nfs/dbraw/zinc/35/02/63/536350263.db2.gz ACSQVIOVLJUSSS-QWRGUYRKSA-N 1 0 320.418 2.259 10 0 DEAERO CN(CCOc1ccccc1F)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261980414 536402571 /nfs/dbraw/zinc/40/25/71/536402571.db2.gz AHOSPUWRNGFKII-OAHLLOKOSA-N 1 0 308.397 2.441 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]nc3c2)[C@H]1c1ccccc1 ZINC000248120615 536457606 /nfs/dbraw/zinc/45/76/06/536457606.db2.gz UGEMDDGGBMVQOV-NVXWUHKLSA-N 1 0 321.384 2.133 10 0 DEAERO COc1ccc(Br)cc1C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000358102839 536639728 /nfs/dbraw/zinc/63/97/28/536639728.db2.gz WRPPZHVEQMKRMW-MFKMUULPSA-N 1 0 313.239 2.497 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000191904433 536742288 /nfs/dbraw/zinc/74/22/88/536742288.db2.gz KQZYXNZSPBFNHM-GMOODISLSA-N 1 0 300.761 2.033 10 0 DEAERO C[C@@H]1CN2C(=[NH+]CC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000235433725 568412743 /nfs/dbraw/zinc/41/27/43/568412743.db2.gz UUIZFFMFURAGBK-MGPQQGTHSA-N 1 0 322.453 2.056 10 0 DEAERO CCCC(=O)NCC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183201436 625296782 /nfs/dbraw/zinc/29/67/82/625296782.db2.gz OHRJKGOAKMMXCO-MRXNPFEDSA-N 1 0 318.417 2.111 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000309777350 625570629 /nfs/dbraw/zinc/57/06/29/625570629.db2.gz JQNKBNYMQNMENW-LSDHHAIUSA-N 1 0 312.454 2.480 10 0 DEAERO CN(C)c1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000169800245 622630399 /nfs/dbraw/zinc/63/03/99/622630399.db2.gz BJISAOONWVFZKL-UHFFFAOYSA-N 1 0 301.434 2.311 10 0 DEAERO C[C@H](CCO)CN(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757134770 623076331 /nfs/dbraw/zinc/07/63/31/623076331.db2.gz OSAHFMKZRVLHPO-GFCCVEGCSA-N 1 0 309.410 2.300 10 0 DEAERO CC[C@H](CCO)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000234036282 623165401 /nfs/dbraw/zinc/16/54/01/623165401.db2.gz VMHAEYSPWJJXIH-ZIAGYGMSSA-N 1 0 300.443 2.384 10 0 DEAERO C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000050163842 623798410 /nfs/dbraw/zinc/79/84/10/623798410.db2.gz NBOBQUGXOZRJKL-GHMZBOCLSA-N 1 0 318.389 2.483 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CSCCS2)[C@H](C)C1 ZINC000247308046 624004521 /nfs/dbraw/zinc/00/45/21/624004521.db2.gz HINMTHLUVBFZFF-FRRDWIJNSA-N 1 0 302.509 2.024 10 0 DEAERO CC(C)[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)Nc1ccccc1 ZINC000066243469 625057376 /nfs/dbraw/zinc/05/73/76/625057376.db2.gz XADUZNXMWLUXKI-HZPDHXFCSA-N 1 0 304.438 2.206 10 0 DEAERO CC(C)c1ccoc1-c1noc(CN2CCCC[C@@H]([NH3+])C2=O)n1 ZINC000888078432 625059195 /nfs/dbraw/zinc/05/91/95/625059195.db2.gz QQYSUGZWMBGUSH-GFCCVEGCSA-N 1 0 318.377 2.293 10 0 DEAERO CCC[N@H+](C[C@H]1CCCCO1)CN1CC2(CC1=O)CCOCC2 ZINC000176754670 625092346 /nfs/dbraw/zinc/09/23/46/625092346.db2.gz ZVHCHJOYIFHJTL-MRXNPFEDSA-N 1 0 324.465 2.254 10 0 DEAERO Cc1nccn1-c1ncccc1CNC(=O)Cc1cccc(O)c1 ZINC000725889535 625202479 /nfs/dbraw/zinc/20/24/79/625202479.db2.gz JPURTEQPNBXWHX-UHFFFAOYSA-N 1 0 322.368 2.140 10 0 DEAERO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]CC1CC(O)C1 ZINC000309891013 625209323 /nfs/dbraw/zinc/20/93/23/625209323.db2.gz BLLYWVVDFGUTGR-IYXRBSQSSA-N 1 0 300.443 2.430 10 0 DEAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](C)CBr ZINC000248736592 634454237 /nfs/dbraw/zinc/45/42/37/634454237.db2.gz QXLYLCMWBFXSHA-NEPJUHHUSA-N 1 0 305.260 2.350 10 0 DEAERO Cc1noc(CCC(=O)OCCC[N@@H+](C)Cc2ccccc2)n1 ZINC000177195653 625880252 /nfs/dbraw/zinc/88/02/52/625880252.db2.gz DOGVXWFKKMIHFN-UHFFFAOYSA-N 1 0 317.389 2.376 10 0 DEAERO CC(C)OC(=O)[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC000736274425 633587496 /nfs/dbraw/zinc/58/74/96/633587496.db2.gz VITBVFZGIQOTBG-HNNXBMFYSA-N 1 0 310.438 2.195 10 0 DEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cccc(I)c1 ZINC000308589406 633598490 /nfs/dbraw/zinc/59/84/90/633598490.db2.gz JSQXIDZQORBTAI-RKDXNWHRSA-N 1 0 305.159 2.150 10 0 DEAERO Cc1c(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cnn1C(C)C ZINC000092701063 634841040 /nfs/dbraw/zinc/84/10/40/634841040.db2.gz UQQPAQXSGJWKJR-HNNXBMFYSA-N 1 0 323.437 2.286 10 0 DEAERO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncc(F)c3)C2)[C@H]1C(C)C ZINC000888097175 635539492 /nfs/dbraw/zinc/53/94/92/635539492.db2.gz DDOKMLFWCSBJKV-BRSBDYLESA-N 1 0 321.440 2.180 10 0 DEAERO O=C(NCC[NH+]1CCCC1)c1cc(-c2ccc(F)c(F)c2)on1 ZINC000222714206 636372625 /nfs/dbraw/zinc/37/26/25/636372625.db2.gz VTFHOTCDOVRTDM-UHFFFAOYSA-N 1 0 321.327 2.445 10 0 DEAERO C[C@H](CNC(=O)N1CCC(c2ncc[nH]2)CC1)[NH+]1CCCCC1 ZINC000726708611 636457008 /nfs/dbraw/zinc/45/70/08/636457008.db2.gz OVMROEZNXVOCOQ-CQSZACIVSA-N 1 0 319.453 2.173 10 0 DEAERO CN(C)C(=O)C1CC[NH+](Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000073884398 636558175 /nfs/dbraw/zinc/55/81/75/636558175.db2.gz XHIOCHHVKVWFKN-UHFFFAOYSA-N 1 0 322.359 2.072 10 0 DEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1F ZINC000142933180 638444495 /nfs/dbraw/zinc/44/44/95/638444495.db2.gz ALBCPWROCXNXLS-GHMZBOCLSA-N 1 0 316.170 2.454 10 0 DEAERO Cn1cccc1[C@H]1CCCCN1C(=S)NCCC[NH+](C)C ZINC000747655410 638459349 /nfs/dbraw/zinc/45/93/49/638459349.db2.gz KAGUVNUJPNZYQJ-OAHLLOKOSA-N 1 0 308.495 2.378 10 0 DEAERO CCOC(=O)[C@@H](CC1CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000752384987 639178614 /nfs/dbraw/zinc/17/86/14/639178614.db2.gz STULZIQTBVMUAP-MRXNPFEDSA-N 1 0 318.417 2.210 10 0 DEAERO CC[C@@](O)(C(=O)NCCCC[NH+](C)C)c1cccc(Cl)c1 ZINC000800494478 645280325 /nfs/dbraw/zinc/28/03/25/645280325.db2.gz WIUDFNQGTLYKRF-INIZCTEOSA-N 1 0 312.841 2.396 10 0 DEAERO CC[NH+](CC)Cc1ccc(C(=O)N2CCO[C@H](C(F)F)C2)o1 ZINC000801008347 645328876 /nfs/dbraw/zinc/32/88/76/645328876.db2.gz NFPQRJHFLDFOOA-ZDUSSCGKSA-N 1 0 316.348 2.228 10 0 DEAERO C[N@H+](CCC(=O)N1CCO[C@H](C(F)F)C1)C1CCCCC1 ZINC000801424107 645394761 /nfs/dbraw/zinc/39/47/61/645394761.db2.gz SMGVISXYFSIJAS-ZDUSSCGKSA-N 1 0 304.381 2.134 10 0 DEAERO COC(=O)[C@@H](OC(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000801868438 645454730 /nfs/dbraw/zinc/45/47/30/645454730.db2.gz TXCXBHDHMQCTHX-INIZCTEOSA-N 1 0 317.385 2.391 10 0 DEAERO C[Si](C)(C)c1ccc(C[NH+]2CCC(OCCO)CC2)cc1 ZINC000801935784 645464991 /nfs/dbraw/zinc/46/49/91/645464991.db2.gz FHQURGGBXFCTQM-UHFFFAOYSA-N 1 0 307.510 2.205 10 0 DEAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC1(CCO)CCCCC1 ZINC000802241610 645507397 /nfs/dbraw/zinc/50/73/97/645507397.db2.gz QLVYZXPKWJARET-HNNXBMFYSA-N 1 0 311.470 2.245 10 0 DEAERO CCCCCC[N@H+](C)CC(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000802627399 645537669 /nfs/dbraw/zinc/53/76/69/645537669.db2.gz VXGHOSCOTPZQQZ-UHFFFAOYSA-N 1 0 322.424 2.368 10 0 DEAERO CC(=O)OCC(C)(C)CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000804524190 645784965 /nfs/dbraw/zinc/78/49/65/645784965.db2.gz MJLYTBMUOPZRCH-HIFRSBDPSA-N 1 0 310.438 2.051 10 0 DEAERO C[C@H]1CCC[C@@](CNC(=O)Cc2ccc(F)cn2)([NH+](C)C)C1 ZINC000806546589 645844486 /nfs/dbraw/zinc/84/44/86/645844486.db2.gz TWUSVGZQZKTYOG-SUMWQHHRSA-N 1 0 307.413 2.390 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc(Cl)nc2nc[nH]c21 ZINC000165506979 646500264 /nfs/dbraw/zinc/50/02/64/646500264.db2.gz YHRIHFYIDRDJIE-NXEZZACHSA-N 1 0 306.801 2.069 10 0 DEAERO Cc1ccc2c(C[NH2+]CCCN3CCCC3=O)cc(=O)oc2c1 ZINC000058031235 646531511 /nfs/dbraw/zinc/53/15/11/646531511.db2.gz VOIQVFRMQZAHFE-UHFFFAOYSA-N 1 0 314.385 2.204 10 0 DEAERO CCCOC(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000171076999 646684299 /nfs/dbraw/zinc/68/42/99/646684299.db2.gz YVNGBVWTUGGHJH-OAHLLOKOSA-N 1 0 319.405 2.421 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000229592148 646692977 /nfs/dbraw/zinc/69/29/77/646692977.db2.gz ZGZSZDVCLKFBMU-KDGJFNHZSA-N 1 0 314.838 2.371 10 0 DEAERO COC(=O)c1coc(C[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000230683842 646744176 /nfs/dbraw/zinc/74/41/76/646744176.db2.gz JMTXPKPPMAIQEL-UHFFFAOYSA-N 1 0 312.366 2.071 10 0 DEAERO Cc1ccc(N2CCC[N@H+](CCCCCCCO)CC2)nn1 ZINC000172841231 646752734 /nfs/dbraw/zinc/75/27/34/646752734.db2.gz NPCIWQMOPMBLPQ-UHFFFAOYSA-N 1 0 306.454 2.240 10 0 DEAERO CC(C)(C)OC(=O)N(CC[NH2+]CC1CC(O)C1)C(C)(C)C ZINC000230975011 646753421 /nfs/dbraw/zinc/75/34/21/646753421.db2.gz FMHZTIPDZBSJBH-UHFFFAOYSA-N 1 0 300.443 2.383 10 0 DEAERO Cc1cc2ncn(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)c2cc1C ZINC000172959329 646756816 /nfs/dbraw/zinc/75/68/16/646756816.db2.gz SQWLUQNFZDUUIF-MRXNPFEDSA-N 1 0 314.433 2.017 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CCCn1cccn1 ZINC000232500134 646810163 /nfs/dbraw/zinc/81/01/63/646810163.db2.gz HBFGRFMBLOELSH-CQSZACIVSA-N 1 0 308.426 2.262 10 0 DEAERO COC(=O)c1cn(C[N@@H+]2C[C@H](c3ccccc3C)C[C@H]2C)nn1 ZINC000151526317 646853404 /nfs/dbraw/zinc/85/34/04/646853404.db2.gz FUYFMOUFPNPGJF-ZIAGYGMSSA-N 1 0 314.389 2.209 10 0 DEAERO NC(=O)c1cc(NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])ccc1Cl ZINC000089389601 647327306 /nfs/dbraw/zinc/32/73/06/647327306.db2.gz ANRMKPMIWUADKS-KOLCDFICSA-N 1 0 309.797 2.143 10 0 DEAERO C[C@H](CNC(=O)Cn1ncc2ccccc21)[NH+]1CCCCC1 ZINC000730537148 647350089 /nfs/dbraw/zinc/35/00/89/647350089.db2.gz MARYCMVWNNSDRI-CQSZACIVSA-N 1 0 300.406 2.027 10 0 DEAERO CC(C)(O)C(C)(C)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000227348239 647384514 /nfs/dbraw/zinc/38/45/14/647384514.db2.gz VJYLASVJZPSNHH-NSHDSACASA-N 1 0 301.814 2.219 10 0 DEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733165065 647894530 /nfs/dbraw/zinc/89/45/30/647894530.db2.gz ANEDASSDOZNGBZ-LLVKDONJSA-N 1 0 312.845 2.261 10 0 DEAERO Cc1cc(C)n(C[C@H](C)C[NH2+]Cc2c(C)nn(C)c2N(C)C)n1 ZINC000069370013 648608446 /nfs/dbraw/zinc/60/84/46/648608446.db2.gz LEPJFXNUVPJVRL-GFCCVEGCSA-N 1 0 318.469 2.034 10 0 DEAERO C[C@@H]([NH2+]C[C@H](C)CO)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000251146183 648677012 /nfs/dbraw/zinc/67/70/12/648677012.db2.gz XKGCSKXHTXOIAC-MJBXVCDLSA-N 1 0 300.443 2.240 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)CCCOC(C)C)C1 ZINC000181546612 648692701 /nfs/dbraw/zinc/69/27/01/648692701.db2.gz QORNXEVBQIZFKT-OAHLLOKOSA-N 1 0 301.427 2.092 10 0 DEAERO CCOCCOCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183195635 649046223 /nfs/dbraw/zinc/04/62/23/649046223.db2.gz WWFQJEZQOCIXDU-KRWDZBQOSA-N 1 0 321.417 2.247 10 0 DEAERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CSCCS1 ZINC000183509785 649098827 /nfs/dbraw/zinc/09/88/27/649098827.db2.gz ZTIUAMQSQDLZSR-CHWSQXEVSA-N 1 0 301.477 2.112 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185301273 649491222 /nfs/dbraw/zinc/49/12/22/649491222.db2.gz WVCFMTTULFVSEH-ZDUSSCGKSA-N 1 0 302.758 2.125 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ncc(Cl)n2C)C[C@@H]1CC ZINC000105837842 651223509 /nfs/dbraw/zinc/22/35/09/651223509.db2.gz QPGDIIPXSAVMLT-ZDUSSCGKSA-N 1 0 314.861 2.006 10 0 DEAERO COC(=O)c1cn(C[N@@H+]2CCC[C@H]2Cc2ccc(C)cc2)nn1 ZINC000113246100 651676187 /nfs/dbraw/zinc/67/61/87/651676187.db2.gz JKDBVPJIZIPKAF-HNNXBMFYSA-N 1 0 314.389 2.038 10 0 DEAERO O=S(=O)(/C=C\c1ccc(Cl)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000379941858 685394615 /nfs/dbraw/zinc/39/46/15/685394615.db2.gz YORWBGXDELQJAQ-KOTGUFOOSA-N 1 0 314.838 2.372 10 0 DEAERO CCc1nn(C)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000381596684 685400958 /nfs/dbraw/zinc/40/09/58/685400958.db2.gz KGEHXNYHRCNYQD-NWDGAFQWSA-N 1 0 310.442 2.374 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000381892964 685402283 /nfs/dbraw/zinc/40/22/83/685402283.db2.gz FGLRHCZPUJHCQE-KFWWJZLASA-N 1 0 311.470 2.316 10 0 DEAERO CC1(C)CN(Cc2cnc(N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000382850421 685405842 /nfs/dbraw/zinc/40/58/42/685405842.db2.gz JSMBWZMDVPYYAV-UHFFFAOYSA-N 1 0 311.433 2.155 10 0 DEAERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000386867312 685419964 /nfs/dbraw/zinc/41/99/64/685419964.db2.gz CXKDNIRCPVRNKF-XUXIUFHCSA-N 1 0 300.443 2.381 10 0 DEAERO C[C@H](CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[S@@](C)=O ZINC000390746273 685441790 /nfs/dbraw/zinc/44/17/90/685441790.db2.gz QDFOYDQWUWYBCJ-BONWFUQQSA-N 1 0 308.491 2.396 10 0 DEAERO Cc1nnc(C[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)s1 ZINC000391861537 685447502 /nfs/dbraw/zinc/44/75/02/685447502.db2.gz YIGISURDTGYJMP-SECBINFHSA-N 1 0 300.428 2.097 10 0 DEAERO Cn1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000394794091 685458267 /nfs/dbraw/zinc/45/82/67/685458267.db2.gz AKNHVCVZXISNLQ-OLZOCXBDSA-N 1 0 308.426 2.203 10 0 DEAERO COC[C@]1(C[NH2+]C2CSC2)CCCN1C(=O)OC(C)(C)C ZINC000396437247 685462028 /nfs/dbraw/zinc/46/20/28/685462028.db2.gz ABNSEUUQIMSWKM-OAHLLOKOSA-N 1 0 316.467 2.108 10 0 DEAERO Cc1noc(CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)n1 ZINC000396515475 685462129 /nfs/dbraw/zinc/46/21/29/685462129.db2.gz ARDQPFOWEYEVIV-AAEUAGOBSA-N 1 0 324.425 2.298 10 0 DEAERO C[C@@](CO)([NH2+]C[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000038114501 683886955 /nfs/dbraw/zinc/88/69/55/683886955.db2.gz YIQPNODIINXMMA-KBPBESRZSA-N 1 0 314.223 2.425 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(F)(F)c1ccccc1 ZINC000076002523 683939534 /nfs/dbraw/zinc/93/95/34/683939534.db2.gz VSAFXGIQMJYKCF-CQSZACIVSA-N 1 0 312.360 2.005 10 0 DEAERO Cc1noc(C)c1CN(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000079495682 683973125 /nfs/dbraw/zinc/97/31/25/683973125.db2.gz NWFZWSOOWCTMEK-AWEZNQCLSA-N 1 0 310.442 2.409 10 0 DEAERO Cn1nccc1CCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000125904006 684149623 /nfs/dbraw/zinc/14/96/23/684149623.db2.gz VLHWVWSTPLNNGU-KRWDZBQOSA-N 1 0 313.401 2.170 10 0 DEAERO CCCn1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)cn1 ZINC000129145107 684176226 /nfs/dbraw/zinc/17/62/26/684176226.db2.gz NSUKUYJWFKSSRN-LSDHHAIUSA-N 1 0 305.426 2.384 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@H](O)c1cc2ccccc2s1 ZINC000129424796 684179412 /nfs/dbraw/zinc/17/94/12/684179412.db2.gz CJSXXSJYKLKRGC-YPMHNXCESA-N 1 0 304.415 2.051 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cncnc2)C1 ZINC000131363287 684199128 /nfs/dbraw/zinc/19/91/28/684199128.db2.gz WARWGTNLLCNGEV-KBPBESRZSA-N 1 0 306.410 2.402 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CC1(Cl)Cl ZINC000155329647 684270476 /nfs/dbraw/zinc/27/04/76/684270476.db2.gz NZYBFXSUJJOFFY-QWHCGFSZSA-N 1 0 315.244 2.469 10 0 DEAERO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(F)nc1 ZINC000189082902 684372049 /nfs/dbraw/zinc/37/20/49/684372049.db2.gz HMRXSYUNAQCANP-OAHLLOKOSA-N 1 0 301.365 2.010 10 0 DEAERO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@H]3CCCOC3)C2=O)c(C)c1 ZINC000189457687 684380922 /nfs/dbraw/zinc/38/09/22/684380922.db2.gz UCWNUXRAFUMXTG-JKSUJKDBSA-N 1 0 302.418 2.486 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000190664940 684411483 /nfs/dbraw/zinc/41/14/83/684411483.db2.gz ISDIGLOMNKGERD-YOEHRIQHSA-N 1 0 317.433 2.192 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CCC1OCCO1 ZINC000191917259 684438771 /nfs/dbraw/zinc/43/87/71/684438771.db2.gz UYMIVIAPBVYZOS-STQMWFEESA-N 1 0 314.426 2.032 10 0 DEAERO Cc1nnc(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000191907130 684438849 /nfs/dbraw/zinc/43/88/49/684438849.db2.gz YYCCGXKKVFTKKJ-NEPJUHHUSA-N 1 0 310.398 2.161 10 0 DEAERO COc1ccccc1C/C(C)=C/C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193599868 685044784 /nfs/dbraw/zinc/04/47/84/685044784.db2.gz DRZVLUCGZMWLFR-MJTSSRLASA-N 1 0 302.418 2.441 10 0 DEAERO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H]3CCC=CO3)cn2)C[C@@H](C)O1 ZINC000194213286 685061259 /nfs/dbraw/zinc/06/12/59/685061259.db2.gz AWRMFDXFEUSLER-INMHGKMJSA-N 1 0 317.433 2.478 10 0 DEAERO Cc1ccc(CC(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000194486022 685067283 /nfs/dbraw/zinc/06/72/83/685067283.db2.gz UZRAUCOCIXUBLN-QGZVFWFLSA-N 1 0 305.418 2.438 10 0 DEAERO O=C(N[C@H]1COc2ccccc21)N1CC[NH+](C2CCCC2)CC1 ZINC000195198251 685089592 /nfs/dbraw/zinc/08/95/92/685089592.db2.gz PPNGLHJQQLROKO-INIZCTEOSA-N 1 0 315.417 2.390 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)/C=C/c1ccccc1 ZINC000246200098 685125924 /nfs/dbraw/zinc/12/59/24/685125924.db2.gz OPCZEWDUSTZLTC-RHRXWLLISA-N 1 0 308.447 2.259 10 0 DEAERO CCOCCN1CC[N@H+](C[C@@H](O)c2ccc(C)cc2)C[C@H]1C ZINC000246730286 685135021 /nfs/dbraw/zinc/13/50/21/685135021.db2.gz MWOGXXPZIXOUJJ-SJLPKXTDSA-N 1 0 306.450 2.071 10 0 DEAERO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)N1CCc2ccccc21 ZINC000246818112 685137260 /nfs/dbraw/zinc/13/72/60/685137260.db2.gz CIYZEOZSKDNPOS-INMHGKMJSA-N 1 0 313.445 2.133 10 0 DEAERO O[C@H](C[NH2+][C@H]1CCCC[C@H]1O)c1cccc(Br)c1 ZINC000250093502 685189352 /nfs/dbraw/zinc/18/93/52/685189352.db2.gz ZSTSEQGKSUPWLO-BFHYXJOUSA-N 1 0 314.223 2.376 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1nc(Cl)nc2nc[nH]c21 ZINC000252837549 685194416 /nfs/dbraw/zinc/19/44/16/685194416.db2.gz YHRIHFYIDRDJIE-ZJUUUORDSA-N 1 0 306.801 2.069 10 0 DEAERO CC(=O)N1C[C@H]([NH2+]Cc2cccnc2C)CC[C@@H]1C(F)(F)F ZINC000886054702 691994126 /nfs/dbraw/zinc/99/41/26/691994126.db2.gz KEKHTAUTKUEJHP-ZIAGYGMSSA-N 1 0 315.339 2.421 10 0 DEAERO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3)[C@H]2C)o1 ZINC000886077560 691998759 /nfs/dbraw/zinc/99/87/59/691998759.db2.gz JJAZVZLXNTUCDL-NHYWBVRUSA-N 1 0 314.389 2.245 10 0 DEAERO Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000886080005 691998941 /nfs/dbraw/zinc/99/89/41/691998941.db2.gz JFFYOPBWAMQSCU-JKIFEVAISA-N 1 0 315.421 2.337 10 0 DEAERO CO[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1c1cn(C)nn1 ZINC000886093760 692002025 /nfs/dbraw/zinc/00/20/25/692002025.db2.gz GUITXNKJAFNZMA-WMLDXEAASA-N 1 0 312.373 2.176 10 0 DEAERO C[C@@H]([NH2+]Cc1cnn[nH]1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000398397537 790269806 /nfs/dbraw/zinc/26/98/06/790269806.db2.gz AOIOIJKUNZONGD-DGCLKSJQSA-N 1 0 309.414 2.072 10 0 DEAERO CC(C)[C@](C)(CO)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000398609433 790281942 /nfs/dbraw/zinc/28/19/42/790281942.db2.gz ZWPAXUJMWNVBPP-CJNGLKHVSA-N 1 0 300.443 2.383 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399148028 790326083 /nfs/dbraw/zinc/32/60/83/790326083.db2.gz XVFGZTOLYFUOIS-AVGNSLFASA-N 1 0 316.442 2.371 10 0 DEAERO COc1cc(C[NH2+]CCCNC(=O)OC(C)(C)C)sn1 ZINC000399186455 790331210 /nfs/dbraw/zinc/33/12/10/790331210.db2.gz VQQREVMZPRLKTG-UHFFFAOYSA-N 1 0 301.412 2.156 10 0 DEAERO C[C@@](O)(C[NH2+][C@H]1CCOC(C)(C)C1)C(F)(F)C(F)(F)F ZINC000724036301 777225836 /nfs/dbraw/zinc/22/58/36/777225836.db2.gz LSVDJQKAOYWMNQ-WCBMZHEXSA-N 1 0 305.287 2.482 10 0 DEAERO C[C@](O)(C[NH2+]CCC[C@@H]1CCOC1)C(F)(F)C(F)(F)F ZINC000724041287 777228831 /nfs/dbraw/zinc/22/88/31/777228831.db2.gz NCTNPBOSIISTGC-ZJUUUORDSA-N 1 0 305.287 2.341 10 0 DEAERO CC[C@H]1C[C@@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CCO1 ZINC000724668535 777453635 /nfs/dbraw/zinc/45/36/35/777453635.db2.gz DZUNIGZJZVDZNV-XQQFMLRXSA-N 1 0 300.399 2.085 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000724915357 777518906 /nfs/dbraw/zinc/51/89/06/777518906.db2.gz SUSCHUFEVRNYKP-AAEUAGOBSA-N 1 0 306.410 2.386 10 0 DEAERO C[C@H]([NH2+][C@@H]1CC12CC(O)C2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000724917640 777521136 /nfs/dbraw/zinc/52/11/36/777521136.db2.gz JSXGPLCTNDGAGA-UEIFGIKUSA-N 1 0 310.438 2.135 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000724942691 777530394 /nfs/dbraw/zinc/53/03/94/777530394.db2.gz HLSJVQAAXLFMQQ-STQMWFEESA-N 1 0 306.410 2.445 10 0 DEAERO OC1CC2(C[C@@H]2[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000724999657 777551381 /nfs/dbraw/zinc/55/13/81/777551381.db2.gz SCQVOLCJBHOFRH-OWYJLGKBSA-N 1 0 324.218 2.387 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000725111384 777587940 /nfs/dbraw/zinc/58/79/40/777587940.db2.gz BVFJSHJRVBVLLV-GFCCVEGCSA-N 1 0 302.465 2.161 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000722268318 778555767 /nfs/dbraw/zinc/55/57/67/778555767.db2.gz XSBOXVPZZWEAIH-QPSCCSFWSA-N 1 0 311.470 2.362 10 0 DEAERO NC(=O)c1csc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000722402697 778707631 /nfs/dbraw/zinc/70/76/31/778707631.db2.gz JLUBCPZLUNYECA-PSASIEDQSA-N 1 0 308.325 2.047 10 0 DEAERO COCc1ccc(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)cc1 ZINC000722502499 778744327 /nfs/dbraw/zinc/74/43/27/778744327.db2.gz MJMCAAUMOYJENB-HNNXBMFYSA-N 1 0 322.405 2.474 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000721858835 780394910 /nfs/dbraw/zinc/39/49/10/780394910.db2.gz GALRVKZAIBQVEX-CBBWQLFWSA-N 1 0 311.470 2.314 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cn(C)cn1 ZINC000721863184 780405585 /nfs/dbraw/zinc/40/55/85/780405585.db2.gz IHDOWDABCSMEKZ-JHJVBQTASA-N 1 0 308.426 2.326 10 0 DEAERO CC(C)(C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)CS(C)(=O)=O ZINC000721866616 780430376 /nfs/dbraw/zinc/43/03/76/780430376.db2.gz BRJSTHHJKASOKV-CHWSQXEVSA-N 1 0 305.484 2.241 10 0 DEAERO CC(C)(C)CS(=O)(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000721874791 780497249 /nfs/dbraw/zinc/49/72/49/780497249.db2.gz MBCXCSQMFPWSDR-CYBMUJFWSA-N 1 0 302.484 2.264 10 0 DEAERO CCCC1CCC([NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)CC1 ZINC000721256703 780987888 /nfs/dbraw/zinc/98/78/88/780987888.db2.gz UJZCWZFHDZAFSX-NRXISQOPSA-N 1 0 303.468 2.139 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000721889559 781574932 /nfs/dbraw/zinc/57/49/32/781574932.db2.gz PTYQIDFJPWTTSA-NSHDSACASA-N 1 0 323.245 2.270 10 0 DEAERO CO[C@@]1(C[NH2+][C@@H](C)c2csc(Cl)c2)CCS(=O)(=O)C1 ZINC000721209908 784249940 /nfs/dbraw/zinc/24/99/40/784249940.db2.gz DVKRDWXLVSXVPJ-JOYOIKCWSA-N 1 0 323.867 2.256 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000721849130 787324606 /nfs/dbraw/zinc/32/46/06/787324606.db2.gz OYSOIRVLFJUUII-NGFQHRJXSA-N 1 0 310.438 2.399 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCc1cccc(Br)c1 ZINC000722549002 787331137 /nfs/dbraw/zinc/33/11/37/787331137.db2.gz GTNNGHPLEJEBRQ-ZYHUDNBSSA-N 1 0 311.223 2.311 10 0 DEAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722491056 787331411 /nfs/dbraw/zinc/33/14/11/787331411.db2.gz UIWXFNMZRKCTMI-RWMBFGLXSA-N 1 0 300.399 2.085 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NCC2([NH3+])CCCC2)c1C ZINC000722593099 787334494 /nfs/dbraw/zinc/33/44/94/787334494.db2.gz AHVKOWKMUQKRNT-UHFFFAOYSA-N 1 0 302.465 2.223 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000722599963 787334692 /nfs/dbraw/zinc/33/46/92/787334692.db2.gz TWRIFYCAEMFJAW-FUNVUKJBSA-N 1 0 314.476 2.235 10 0 DEAERO CC[N@H+](C[C@H]1CCCO1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724113161 787349844 /nfs/dbraw/zinc/34/98/44/787349844.db2.gz ZLDURXWIEFFQKA-NXEZZACHSA-N 1 0 305.287 2.436 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC23CC(O)C3)C1 ZINC000725001960 787355980 /nfs/dbraw/zinc/35/59/80/787355980.db2.gz RBAFHNNNWGKTHZ-YAOSRSEKSA-N 1 0 310.438 2.325 10 0 DEAERO COCCNC(=S)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397981483 790238253 /nfs/dbraw/zinc/23/82/53/790238253.db2.gz ICYAKTPHGFHWQA-KRWDZBQOSA-N 1 0 321.490 2.152 10 0 DEAERO Cn1cc(C[NH2+]CCOCC2CCCC2)c(Br)n1 ZINC000712397507 792185572 /nfs/dbraw/zinc/18/55/72/792185572.db2.gz NMPFGIFCNJICMP-UHFFFAOYSA-N 1 0 316.243 2.479 10 0 DEAERO CC(C)CCOCC[NH2+]Cc1cn(C)nc1Br ZINC000712496427 792189976 /nfs/dbraw/zinc/18/99/76/792189976.db2.gz OXOFSTIWBXVARU-UHFFFAOYSA-N 1 0 304.232 2.335 10 0 DEAERO CCN1CC[C@H]1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000712593920 792192773 /nfs/dbraw/zinc/19/27/73/792192773.db2.gz GFOJSHTWOBQJOU-GJZGRUSLSA-N 1 0 311.470 2.317 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000712610195 792193498 /nfs/dbraw/zinc/19/34/98/792193498.db2.gz XTQVSWVNVCYSGE-RRFJBIMHSA-N 1 0 311.470 2.458 10 0 DEAERO O=S(=O)(c1cccc(Cl)c1)N1CC[NH2+]CCC12CCC2 ZINC000713209555 792216570 /nfs/dbraw/zinc/21/65/70/792216570.db2.gz CSFRZMQBXRVWIJ-UHFFFAOYSA-N 1 0 314.838 2.247 10 0 DEAERO CO[C@@H]1C[C@@H]([NH2+]Cc2nc(Br)c[nH]2)C12CCC2 ZINC000713492933 792233584 /nfs/dbraw/zinc/23/35/84/792233584.db2.gz OIOOHVBDGKNNLC-RKDXNWHRSA-N 1 0 300.200 2.219 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713884056 792246633 /nfs/dbraw/zinc/24/66/33/792246633.db2.gz ULUJAOMHFWIBNO-NXEZZACHSA-N 1 0 302.827 2.114 10 0 DEAERO [NH3+]C[C@@H]1C[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)CO1 ZINC000713850475 792260768 /nfs/dbraw/zinc/26/07/68/792260768.db2.gz OODCYQYBMMEWLX-JQWIXIFHSA-N 1 0 317.216 2.016 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(Cc2cn(C)nc2Br)C1 ZINC000713820734 792261371 /nfs/dbraw/zinc/26/13/71/792261371.db2.gz FEWYCYZQRKGGOH-LBPRGKRZSA-N 1 0 315.259 2.099 10 0 DEAERO [NH3+]C1CC(CNC(=O)c2cc(Br)ccc2F)C1 ZINC000715109063 792383160 /nfs/dbraw/zinc/38/31/60/792383160.db2.gz WQEASXXOYJWLTL-UHFFFAOYSA-N 1 0 301.159 2.055 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1(F)F ZINC000715156103 792397726 /nfs/dbraw/zinc/39/77/26/792397726.db2.gz FMDLZSDIHKYKDR-JQCXWYLXSA-N 1 0 300.271 2.064 10 0 DEAERO COC(=O)[C@H](C)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716671318 792984323 /nfs/dbraw/zinc/98/43/23/792984323.db2.gz GBBQVQFETGPTQK-HJWJTTGWSA-N 1 0 302.418 2.191 10 0 DEAERO NC(=O)C1CC([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000716715568 793003473 /nfs/dbraw/zinc/00/34/73/793003473.db2.gz IEHRSYMUEMTTRS-UHFFFAOYSA-N 1 0 317.614 2.456 10 0 DEAERO CC(C)NC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716735029 793005597 /nfs/dbraw/zinc/00/55/97/793005597.db2.gz YBVGYYIHXHQHJV-BZSNNMDCSA-N 1 0 315.461 2.154 10 0 DEAERO CC[C@H](C[C@H](C)O)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000716855363 793009847 /nfs/dbraw/zinc/00/98/47/793009847.db2.gz WMACLXHLBSSNGF-RJZJGCCBSA-N 1 0 300.443 2.429 10 0 DEAERO CC[C@H](CO)[NH2+]Cc1ccccc1I ZINC000072713341 795894155 /nfs/dbraw/zinc/89/41/55/795894155.db2.gz QNFWPFSQCHNWDL-SNVBAGLBSA-N 1 0 305.159 2.152 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000717149711 799256493 /nfs/dbraw/zinc/25/64/93/799256493.db2.gz CDKSGPYEHORQBA-NWDGAFQWSA-N 1 0 320.380 2.257 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000717149713 799256607 /nfs/dbraw/zinc/25/66/07/799256607.db2.gz CDKSGPYEHORQBA-VXGBXAGGSA-N 1 0 320.380 2.257 10 0 DEAERO [NH3+][C@H]1CN(CCOCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000717162816 799257556 /nfs/dbraw/zinc/25/75/56/799257556.db2.gz QXKVYAJQGRWHCA-KBPBESRZSA-N 1 0 302.340 2.415 10 0 DEAERO FC1(F)CC[NH2+]C[C@H]1CNCc1cnn(Cc2ccccc2)c1 ZINC000717308422 799377218 /nfs/dbraw/zinc/37/72/18/799377218.db2.gz UGTHERDPRPARLR-INIZCTEOSA-N 1 0 320.387 2.266 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000717325340 799380611 /nfs/dbraw/zinc/38/06/11/799380611.db2.gz GASNOSCMCMECIN-JTQLQIEISA-N 1 0 316.243 2.477 10 0 DEAERO C[C@@H](O)[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000717337998 799381408 /nfs/dbraw/zinc/38/14/08/799381408.db2.gz AVQSVWMWVQKVKQ-RDTXWAMCSA-N 1 0 301.386 2.097 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCc2ccnn2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401676306 801839097 /nfs/dbraw/zinc/83/90/97/801839097.db2.gz DMTNBAAUPHLTGY-ZIAGYGMSSA-N 1 0 322.453 2.198 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCN2CCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401719630 801844939 /nfs/dbraw/zinc/84/49/39/801844939.db2.gz MVVJIWABFBIGBD-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO CC(C)[C@H](CO)C[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401795194 801852756 /nfs/dbraw/zinc/85/27/56/801852756.db2.gz DZPRMBAIVHVLIW-ILXRZTDVSA-N 1 0 314.470 2.486 10 0 DEAERO Fc1nccnc1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000402588338 801896354 /nfs/dbraw/zinc/89/63/54/801896354.db2.gz BZJRCOFQJFJPKV-UHFFFAOYSA-N 1 0 300.381 2.362 10 0 DEAERO C[C@@H](Nc1nccnc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000402805656 801910584 /nfs/dbraw/zinc/91/05/84/801910584.db2.gz BOUQUWQVEUATQY-HIFRSBDPSA-N 1 0 300.381 2.360 10 0 DEAERO c1cnc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)S4)C2)nc1 ZINC000403528478 801945928 /nfs/dbraw/zinc/94/59/28/801945928.db2.gz WOZKERGIGWGKAH-FFHGMXDLSA-N 1 0 304.463 2.462 10 0 DEAERO CC(C)(F)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404136923 801996891 /nfs/dbraw/zinc/99/68/91/801996891.db2.gz CZTGRFWHYJMRQP-HOTGVXAUSA-N 1 0 320.408 2.236 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC2(CCO)CC2)C1(C)C ZINC000404906439 802035528 /nfs/dbraw/zinc/03/55/28/802035528.db2.gz RYRRTMKMUCKWPJ-CHWSQXEVSA-N 1 0 312.454 2.430 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC2(CO)CC2)C12CCC2 ZINC000405310518 802050193 /nfs/dbraw/zinc/05/01/93/802050193.db2.gz OKLFNESMAYVDJF-CHWSQXEVSA-N 1 0 310.438 2.184 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)CO[C@H]1C ZINC000405565020 802072292 /nfs/dbraw/zinc/07/22/92/802072292.db2.gz VBDYLLQEPHKUMY-CAMMJAKZSA-N 1 0 318.461 2.291 10 0 DEAERO C[C@@H]1[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CO[C@H]1C ZINC000405719956 802078611 /nfs/dbraw/zinc/07/86/11/802078611.db2.gz UDCCHAUTUPBXRD-TXFQPVFDSA-N 1 0 314.223 2.496 10 0 DEAERO c1nc(C[NH2+]CCN2CCN(c3ccccc3)CC2)cs1 ZINC000058179164 1078779488 /nfs/dbraw/zinc/77/94/88/1078779488.db2.gz YGEOESWFFCXBSB-UHFFFAOYSA-N 1 0 302.447 2.055 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000725077346 1078799585 /nfs/dbraw/zinc/79/95/85/1078799585.db2.gz KWTMNGYSUFINOF-GAFUQQFSSA-N 1 0 316.492 2.359 10 0 DEAERO Cc1nc(C[NH2+][C@H]2CCN(C)[C@@H]2C)sc1Br ZINC000719602894 1089324738 /nfs/dbraw/zinc/32/47/38/1089324738.db2.gz QFTYSZQTZZOKSN-BDAKNGLRSA-N 1 0 304.257 2.396 10 0 DEAERO CN(C)C(=O)CCC[NH2+]Cc1sccc1Br ZINC000087575683 1080792123 /nfs/dbraw/zinc/79/21/23/1080792123.db2.gz MWBTYJCIBKECAW-UHFFFAOYSA-N 1 0 305.241 2.469 10 0 DEAERO OCC1(C[NH2+]Cc2ccccc2I)CC1 ZINC000080246538 1080958025 /nfs/dbraw/zinc/95/80/25/1080958025.db2.gz JCOFHAGJCLILIU-UHFFFAOYSA-N 1 0 317.170 2.153 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)CCC(C)(C)C2CC2)CC[C@H]1[NH3+] ZINC000717934425 1081803085 /nfs/dbraw/zinc/80/30/85/1081803085.db2.gz DQMCJBDGYMJNAB-TZMCWYRMSA-N 1 0 302.484 2.202 10 0 DEAERO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)CCC(C)(C)C2CC2)C1 ZINC000717984017 1081856071 /nfs/dbraw/zinc/85/60/71/1081856071.db2.gz QKTGAFRUDQLFIU-ZDUSSCGKSA-N 1 0 302.484 2.074 10 0 DEAERO C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)Cc2cccs2)CC1 ZINC000081390913 1082274443 /nfs/dbraw/zinc/27/44/43/1082274443.db2.gz SFCAVPRQWKBASO-CQSZACIVSA-N 1 0 304.459 2.483 10 0 DEAERO COC(=O)c1sc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)nc1Cl ZINC000720813047 1086154320 /nfs/dbraw/zinc/15/43/20/1086154320.db2.gz XIEAJHKFCPODAJ-DTWKUNHWSA-N 1 0 315.826 2.256 10 0 DEAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCS(=O)(=O)C1CCCCC1 ZINC000701028036 1086348015 /nfs/dbraw/zinc/34/80/15/1086348015.db2.gz VWIRHCTXLJWJFB-XPCVCDNBSA-N 1 0 303.468 2.135 10 0 DEAERO O=C(c1ccsc1Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702290388 1086421903 /nfs/dbraw/zinc/42/19/03/1086421903.db2.gz IKCZUARTRCZJDI-VIFPVBQESA-N 1 0 315.236 2.431 10 0 DEAERO CO[C@](C)(CO)C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000702515664 1086437568 /nfs/dbraw/zinc/43/75/68/1086437568.db2.gz CBCHRMGLMREUTN-INIZCTEOSA-N 1 0 318.458 2.009 10 0 DEAERO CN1C(=O)CC[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C1=O ZINC000722133930 1086476645 /nfs/dbraw/zinc/47/66/45/1086476645.db2.gz XYZBLEHRVMSGRU-LBPRGKRZSA-N 1 0 315.200 2.273 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CC2CCSCC2)CO1 ZINC000703353907 1086494341 /nfs/dbraw/zinc/49/43/41/1086494341.db2.gz CTMQEYUUNCEUHM-LBPRGKRZSA-N 1 0 302.440 2.270 10 0 DEAERO Cn1nc(Br)cc1C[NH2+]CCC1SCCS1 ZINC000703411090 1086497323 /nfs/dbraw/zinc/49/73/23/1086497323.db2.gz GWGMPKNLBIARRS-UHFFFAOYSA-N 1 0 322.297 2.468 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703596450 1086524604 /nfs/dbraw/zinc/52/46/04/1086524604.db2.gz XZISYSQUEVNYJK-TVQRCGJNSA-N 1 0 313.195 2.032 10 0 DEAERO O=C(N1Cc2ccc(Br)cc2C1)C12CC[NH+](CC1)C2 ZINC000707944863 1086675461 /nfs/dbraw/zinc/67/54/61/1086675461.db2.gz DTZDIAGEQXFTFK-UHFFFAOYSA-N 1 0 321.218 2.387 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1csc(Br)n1 ZINC000709581209 1086683700 /nfs/dbraw/zinc/68/37/00/1086683700.db2.gz BWGARGDXJVURGN-MRVPVSSYSA-N 1 0 318.240 2.072 10 0 DEAERO COC(OC)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709631013 1086683734 /nfs/dbraw/zinc/68/37/34/1086683734.db2.gz AJXKVHRXBQJOGN-INIZCTEOSA-N 1 0 320.433 2.166 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1sccc1Br ZINC000711246836 1087038175 /nfs/dbraw/zinc/03/81/75/1087038175.db2.gz BWVMIHSPAPKQCY-QMMMGPOBSA-N 1 0 317.252 2.372 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1ccc(Br)s1 ZINC000711248224 1087038230 /nfs/dbraw/zinc/03/82/30/1087038230.db2.gz IHQFHAZFCWVONE-SECBINFHSA-N 1 0 317.252 2.372 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000711333126 1087066341 /nfs/dbraw/zinc/06/63/41/1087066341.db2.gz PSCZVEPUKUUXDM-SJORKVTESA-N 1 0 316.445 2.297 10 0 DEAERO C[C@H](CC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[S@@](C)=O ZINC000711393348 1087082973 /nfs/dbraw/zinc/08/29/73/1087082973.db2.gz SGWWNVPIBUDMFO-AYMFLGRJSA-N 1 0 318.483 2.036 10 0 DEAERO CC[C@](C)(CCO)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711490033 1087139359 /nfs/dbraw/zinc/13/93/59/1087139359.db2.gz HMEHGVOKDNSQND-DVOMOZLQSA-N 1 0 300.443 2.430 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000711510490 1087145078 /nfs/dbraw/zinc/14/50/78/1087145078.db2.gz YOAQWCODXNVVLX-FAAHXZRKSA-N 1 0 310.438 2.447 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711582898 1087161518 /nfs/dbraw/zinc/16/15/18/1087161518.db2.gz IPMZRXIPEBXUMU-KGLIPLIRSA-N 1 0 314.838 2.211 10 0 DEAERO [NH3+]C1CC(Cc2nc(-c3ccc(Br)cn3)no2)C1 ZINC000718124508 1088222983 /nfs/dbraw/zinc/22/29/83/1088222983.db2.gz CEEKGNYTRGRRCP-UHFFFAOYSA-N 1 0 309.167 2.174 10 0 DEAERO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(Br)cn1 ZINC000718397926 1088504421 /nfs/dbraw/zinc/50/44/21/1088504421.db2.gz LGVBXJSJVGQTJR-FKTRJACZSA-N 1 0 312.211 2.149 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2cc(Br)cs2)C1 ZINC000718426518 1088535244 /nfs/dbraw/zinc/53/52/44/1088535244.db2.gz VODQDMYMDUIPAJ-UHFFFAOYSA-N 1 0 303.225 2.254 10 0 DEAERO C([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1nc2c(s1)CCC2 ZINC000719530666 1089287005 /nfs/dbraw/zinc/28/70/05/1089287005.db2.gz NVCJRGXDFOQQNP-YPMHNXCESA-N 1 0 309.504 2.301 10 0 DEAERO Cc1nc(C[NH2+][C@@H]2CCN(C)[C@H]2C)sc1Br ZINC000719602896 1089325217 /nfs/dbraw/zinc/32/52/17/1089325217.db2.gz QFTYSZQTZZOKSN-DTWKUNHWSA-N 1 0 304.257 2.396 10 0 DEAERO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1cnn(C)c1 ZINC000724024391 1143896476 /nfs/dbraw/zinc/89/64/76/1143896476.db2.gz PYIHBYINKRSOMZ-VXNVDRBHSA-N 1 0 301.259 2.019 10 0 DEAERO CC(=O)N(C)C1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000136372881 282086998 /nfs/dbraw/zinc/08/69/98/282086998.db2.gz XHRITMPACVXEJG-UHFFFAOYSA-N 1 0 315.461 2.382 10 0 DEAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)SCCS(C)(=O)=O ZINC000081768799 192322322 /nfs/dbraw/zinc/32/23/22/192322322.db2.gz RWZRHHNOHZCVQP-TZMCWYRMSA-N 1 0 301.477 2.422 10 0 DEAERO CCC[NH2+][C@H]1c2ccccc2C[C@@H]1SCCS(C)(=O)=O ZINC000081769126 192322658 /nfs/dbraw/zinc/32/26/58/192322658.db2.gz WOBHRWITSWYJNV-GJZGRUSLSA-N 1 0 313.488 2.430 10 0 DEAERO CCCOc1ccc([C@@H]([NH3+])CSCCS(C)(=O)=O)cc1 ZINC000081768325 192322981 /nfs/dbraw/zinc/32/29/81/192322981.db2.gz BIMLROOUNYNOLF-AWEZNQCLSA-N 1 0 317.476 2.253 10 0 DEAERO CCOc1ccc([C@@H](CSCCS(C)(=O)=O)[NH2+]C)cc1 ZINC000081768797 192323038 /nfs/dbraw/zinc/32/30/38/192323038.db2.gz AINJDFWKNOYZGX-CQSZACIVSA-N 1 0 317.476 2.124 10 0 DEAERO Cc1cc(C)c([C@H]([NH3+])CSCCS(C)(=O)=O)c(C)c1 ZINC000081768843 192323476 /nfs/dbraw/zinc/32/34/76/192323476.db2.gz QFVMDWHIHXTAGU-CYBMUJFWSA-N 1 0 301.477 2.389 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000278385068 214132061 /nfs/dbraw/zinc/13/20/61/214132061.db2.gz AAAWGADZNORHHZ-UHFFFAOYSA-N 1 0 317.433 2.275 10 0 DEAERO CCOc1ccc2[nH]c(S[C@@H]3COCC[C@@H]3[NH2+]C)nc2c1 ZINC000081839879 192330780 /nfs/dbraw/zinc/33/07/80/192330780.db2.gz XBXGILFORYIIKK-GXTWGEPZSA-N 1 0 307.419 2.431 10 0 DEAERO [NH3+][C@H](CSc1ncccn1)c1ccc2c(c1)OCCCO2 ZINC000081871164 192333376 /nfs/dbraw/zinc/33/33/76/192333376.db2.gz FKFMELHATKZXNA-GFCCVEGCSA-N 1 0 303.387 2.430 10 0 DEAERO Cn1c(SC[C@@H]([NH3+])c2cccc3ccccc32)n[nH]c1=O ZINC000081880341 192333850 /nfs/dbraw/zinc/33/38/50/192333850.db2.gz CRICWQXNEYGKFR-CYBMUJFWSA-N 1 0 300.387 2.054 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1cc(C)nn1C)OCCO2 ZINC000081884890 192333966 /nfs/dbraw/zinc/33/39/66/192333966.db2.gz IWOHFOOMVHKWEP-OLZOCXBDSA-N 1 0 311.451 2.094 10 0 DEAERO CCCn1c(=O)[nH]nc1S[C@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000081879305 192334211 /nfs/dbraw/zinc/33/42/11/192334211.db2.gz BBAGFJAGSWVLPO-AGIUHOORSA-N 1 0 312.483 2.486 10 0 DEAERO CC[NH2+][C@H](c1ccccc1)[C@@H](C)Sc1n[nH]c(=O)n1CC ZINC000081879732 192334562 /nfs/dbraw/zinc/33/45/62/192334562.db2.gz ALBJNKNXZDZBRL-YPMHNXCESA-N 1 0 306.435 2.423 10 0 DEAERO C[C@@H](CS(C)(=O)=O)NC1=[NH+]C2(CS1)CCC(C)CC2 ZINC000081904925 192336109 /nfs/dbraw/zinc/33/61/09/192336109.db2.gz ZNSVRHAUCQZOIO-AKJDGMEZSA-N 1 0 304.481 2.061 10 0 DEAERO [NH3+]CCSCC(=O)NCCNc1cccc2ccccc21 ZINC000096751718 185386170 /nfs/dbraw/zinc/38/61/70/185386170.db2.gz FZTYERKTAAYFQD-UHFFFAOYSA-N 1 0 303.431 2.060 10 0 DEAERO CCc1cccc(CC(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000151461004 282117170 /nfs/dbraw/zinc/11/71/70/282117170.db2.gz MQXYQHOQMNOIBP-UHFFFAOYSA-N 1 0 304.434 2.019 10 0 DEAERO O=c1[nH]ccc2c(Br)cn([C@H]3CCCC[NH2+]C3)c21 ZINC000162635182 197580883 /nfs/dbraw/zinc/58/08/83/197580883.db2.gz OAZKNSBMUYUDGT-VIFPVBQESA-N 1 0 310.195 2.407 10 0 DEAERO Fc1c(Br)ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1F ZINC000625100527 365642535 /nfs/dbraw/zinc/64/25/35/365642535.db2.gz UDNYPQOIEWWBNP-UWVGGRQHSA-N 1 0 317.177 2.379 10 0 DEAERO CC(C)(C)CCOCCS(=O)(=O)c1ccc(C(N)=[NH2+])cc1 ZINC000163301014 197622513 /nfs/dbraw/zinc/62/25/13/197622513.db2.gz BUJUYSFOOPIKBI-UHFFFAOYSA-N 1 0 312.435 2.197 10 0 DEAERO c1c(C2CC2)[nH]nc1N1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000426773481 230816338 /nfs/dbraw/zinc/81/63/38/230816338.db2.gz JWKUQSSPHBKTTL-HNNXBMFYSA-N 1 0 304.438 2.368 10 0 DEAERO CC(C)[NH2+]CCCCS(=O)(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000163506927 197635406 /nfs/dbraw/zinc/63/54/06/197635406.db2.gz WJFTUMHTWJLOLH-CQSZACIVSA-N 1 0 304.500 2.462 10 0 DEAERO C[NH2+][C@@H](C)[C@@H](C)S(=O)(=O)c1ccc(Br)cc1 ZINC000081933451 192341230 /nfs/dbraw/zinc/34/12/30/192341230.db2.gz QMWDEENYHGCFGF-DTWKUNHWSA-N 1 0 306.225 2.219 10 0 DEAERO C[C@H](C(=O)Nc1ccc(Br)cc1F)C1C[NH2+]C1 ZINC000163815822 197650439 /nfs/dbraw/zinc/65/04/39/197650439.db2.gz QFQHXWQAHBBBIF-ZETCQYMHSA-N 1 0 301.159 2.382 10 0 DEAERO Cn1ncc(Br)c1C(=O)C1(C[NH3+])CCCCC1 ZINC000164594658 197658035 /nfs/dbraw/zinc/65/80/35/197658035.db2.gz NKMOMILEOOIUGH-UHFFFAOYSA-N 1 0 300.200 2.275 10 0 DEAERO [NH3+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(Br)cc1 ZINC000081933828 192341704 /nfs/dbraw/zinc/34/17/04/192341704.db2.gz DEQFBIQIBIFBGC-NEPJUHHUSA-N 1 0 318.236 2.493 10 0 DEAERO CC[C@H](C)S(=O)(=O)C[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081937331 192342219 /nfs/dbraw/zinc/34/22/19/192342219.db2.gz IJTVZBXTFSRSAC-WCQYABFASA-N 1 0 313.419 2.061 10 0 DEAERO Cc1c(N)cccc1C(=O)c1c(Cl)cnn1CC[NH+](C)C ZINC000164621578 197658476 /nfs/dbraw/zinc/65/84/76/197658476.db2.gz LMVWGPGMIWPKQU-UHFFFAOYSA-N 1 0 306.797 2.220 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CO)CC(C)(C)C ZINC000152388148 282143568 /nfs/dbraw/zinc/14/35/68/282143568.db2.gz PGHZGNGIAILUAY-HUUCEWRRSA-N 1 0 313.486 2.203 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(C(=O)OC)c1 ZINC000078930372 185130483 /nfs/dbraw/zinc/13/04/83/185130483.db2.gz JLGOITKCJCDCFR-LBPRGKRZSA-N 1 0 307.394 2.325 10 0 DEAERO CCC(C)(C)[C@H]1CC[C@@H]([NH2+]C)[C@H](S(=O)(=O)CCOC)C1 ZINC000081944666 192345175 /nfs/dbraw/zinc/34/51/75/192345175.db2.gz IIPPEUPDDFSJHX-BFHYXJOUSA-N 1 0 305.484 2.241 10 0 DEAERO Cc1ccc(S(C)(=O)=O)cc1NC(=O)CC[C@H](C)CC[NH3+] ZINC000079117501 185159299 /nfs/dbraw/zinc/15/92/99/185159299.db2.gz JEXPQUHGXLHXAL-NSHDSACASA-N 1 0 312.435 2.102 10 0 DEAERO C[C@H]([NH2+]Cc1csc2ccccc12)C(=O)N1CCOCC1 ZINC000079304481 185164048 /nfs/dbraw/zinc/16/40/48/185164048.db2.gz GZODROYOISQTNH-LBPRGKRZSA-N 1 0 304.415 2.238 10 0 DEAERO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCC(c2nccs2)CC1 ZINC000612970418 361965723 /nfs/dbraw/zinc/96/57/23/361965723.db2.gz JNMDKJIXXZENQL-ZDUSSCGKSA-N 1 0 320.462 2.174 10 0 DEAERO CCC[C@H](CC[NH3+])CCC(=O)N(CCOC)[C@@H](C)COC ZINC000079240839 185162386 /nfs/dbraw/zinc/16/23/86/185162386.db2.gz MDIWBWGYFZMQPO-GJZGRUSLSA-N 1 0 302.459 2.042 10 0 DEAERO COCCN(C(=O)CC[C@@H](CC[NH3+])C(C)C)[C@@H]1CCSC1 ZINC000079276822 185163022 /nfs/dbraw/zinc/16/30/22/185163022.db2.gz OEUPKDMDIOZCBJ-LSDHHAIUSA-N 1 0 316.511 2.368 10 0 DEAERO COc1cc2c(cc1OC)CN(C(=O)C[C@H]1CCC[N@@H+]1C)CC2 ZINC000082316712 185175772 /nfs/dbraw/zinc/17/57/72/185175772.db2.gz ZRXXAVJNNOGJAT-OAHLLOKOSA-N 1 0 318.417 2.073 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2cc(Br)cs2)CCC1=O ZINC000082756549 185202719 /nfs/dbraw/zinc/20/27/19/185202719.db2.gz NXSJPTOGOAXSAY-VIFPVBQESA-N 1 0 303.225 2.221 10 0 DEAERO [NH3+]CCCCCS(=O)(=O)c1ccccc1Br ZINC000082790201 185203467 /nfs/dbraw/zinc/20/34/67/185203467.db2.gz VTPJMFKIZNOHPI-UHFFFAOYSA-N 1 0 306.225 2.352 10 0 DEAERO COc1ccc(Br)cc1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000358102836 536638778 /nfs/dbraw/zinc/63/87/78/536638778.db2.gz WRPPZHVEQMKRMW-GXFFZTMASA-N 1 0 313.239 2.497 10 0 DEAERO CCOc1cccc(C[N@@H+]2CCC[C@@H]2CN(C(C)=O)C2CC2)n1 ZINC000328629776 231264130 /nfs/dbraw/zinc/26/41/30/231264130.db2.gz IQNJALLDPFJLIN-QGZVFWFLSA-N 1 0 317.433 2.456 10 0 DEAERO C[C@@H](CCCO)[NH2+][C@@H](CN)c1cc(Br)cs1 ZINC000087359039 185222541 /nfs/dbraw/zinc/22/25/41/185222541.db2.gz DEIVRAXOCALZIV-WPRPVWTQSA-N 1 0 307.257 2.261 10 0 DEAERO CCOCC[C@@H](O)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000087378686 185223205 /nfs/dbraw/zinc/22/32/05/185223205.db2.gz FCYHWVMMKMXXNA-QWHCGFSZSA-N 1 0 302.212 2.279 10 0 DEAERO CCC[C@H](C[NH3+])NC(=O)c1cc(F)cc(Br)c1 ZINC000087387797 185223341 /nfs/dbraw/zinc/22/33/41/185223341.db2.gz BBXZKTDJUDORRF-LLVKDONJSA-N 1 0 303.175 2.445 10 0 DEAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000087404114 185223792 /nfs/dbraw/zinc/22/37/92/185223792.db2.gz CNYAVVKGJRUGRX-CYBMUJFWSA-N 1 0 314.451 2.127 10 0 DEAERO CCCc1nnsc1C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000087455669 185225556 /nfs/dbraw/zinc/22/55/56/185225556.db2.gz HMNHVRRNWPWUOG-AAEUAGOBSA-N 1 0 308.451 2.237 10 0 DEAERO C[C@@H](c1noc(-c2cccc(F)c2Cl)n1)N1CC[NH2+]CC1 ZINC000165484231 197677035 /nfs/dbraw/zinc/67/70/35/197677035.db2.gz ZPKGSJCUYNCBSJ-VIFPVBQESA-N 1 0 310.760 2.495 10 0 DEAERO CC[C@H](C[NH3+])C(=O)Nc1cc(Br)ccc1N(C)C ZINC000087520165 185227663 /nfs/dbraw/zinc/22/76/63/185227663.db2.gz GCJVKXVZTWOHOH-SECBINFHSA-N 1 0 314.227 2.439 10 0 DEAERO CC[NH2+][C@H](CC(N)=O)c1ccc(OC(F)F)c(OCC)c1 ZINC000087549606 185228188 /nfs/dbraw/zinc/22/81/88/185228188.db2.gz VREQQJNMPHNRPL-SNVBAGLBSA-N 1 0 302.321 2.213 10 0 DEAERO [NH3+][C@H]1C=C[C@@H](C(=O)NCc2sccc2Br)C1 ZINC000087575772 185228682 /nfs/dbraw/zinc/22/86/82/185228682.db2.gz HKJIOVIYCKSUFY-SFYZADRCSA-N 1 0 301.209 2.030 10 0 DEAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000087694879 185230707 /nfs/dbraw/zinc/23/07/07/185230707.db2.gz ANXDPYIKFZMFQL-NWDGAFQWSA-N 1 0 312.435 2.182 10 0 DEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000087694885 185230717 /nfs/dbraw/zinc/23/07/17/185230717.db2.gz ANXDPYIKFZMFQL-NEPJUHHUSA-N 1 0 312.435 2.182 10 0 DEAERO COc1ccc(Br)cc1[C@@H]([NH3+])CC(C)(C)C(N)=O ZINC000087722131 185230854 /nfs/dbraw/zinc/23/08/54/185230854.db2.gz PMPMQYKNRSOXLM-JTQLQIEISA-N 1 0 315.211 2.359 10 0 DEAERO COCOc1c(Br)cc(C[C@H](C)[NH3+])cc1OC ZINC000087888354 185234762 /nfs/dbraw/zinc/23/47/62/185234762.db2.gz HCIMGGRVBWVDSL-QMMMGPOBSA-N 1 0 304.184 2.330 10 0 DEAERO NNc1cc(Sc2ccc(Br)cc2)nc(N)[nH+]1 ZINC000087889364 185234798 /nfs/dbraw/zinc/23/47/98/185234798.db2.gz GVSSPJDCPSSIEE-UHFFFAOYSA-N 1 0 312.196 2.258 10 0 DEAERO Cc1cc(Sc2ncccc2Br)nc(NN)[nH+]1 ZINC000087894719 185235101 /nfs/dbraw/zinc/23/51/01/185235101.db2.gz QDTACOQJOQHWRA-UHFFFAOYSA-N 1 0 312.196 2.379 10 0 DEAERO COc1ccc(Br)cc1C[C@]1(C[NH3+])CCC[C@H]1O ZINC000087931874 185237513 /nfs/dbraw/zinc/23/75/13/185237513.db2.gz YXWAYQFVPBIXDV-KGLIPLIRSA-N 1 0 314.223 2.490 10 0 DEAERO CC[NH2+]C[C@@H](C)[C@@H](C)n1cc(I)cn1 ZINC000087949615 185237680 /nfs/dbraw/zinc/23/76/80/185237680.db2.gz FCWHEJMXBBAYPJ-RKDXNWHRSA-N 1 0 307.179 2.294 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc(Br)cn2C2CC2)CC[NH2+]1 ZINC000088059180 185238177 /nfs/dbraw/zinc/23/81/77/185238177.db2.gz BKSPRVFEIPDSDZ-SECBINFHSA-N 1 0 312.211 2.019 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000088058899 185238469 /nfs/dbraw/zinc/23/84/69/185238469.db2.gz NCRYCTCQNHQIAF-JTQLQIEISA-N 1 0 314.227 2.095 10 0 DEAERO C[C@@H]([NH3+])CCS(=O)(=O)Cc1ccc(Br)cc1 ZINC000088077491 185238821 /nfs/dbraw/zinc/23/88/21/185238821.db2.gz JEVQJRWHVORTCH-SECBINFHSA-N 1 0 306.225 2.101 10 0 DEAERO C[C@@H](C[NH3+])C[S@@](=O)Cc1cc(F)cc(Br)c1 ZINC000088089302 185239399 /nfs/dbraw/zinc/23/93/99/185239399.db2.gz HWKBGHRKXMYTBW-PWJLMRLQSA-N 1 0 308.216 2.432 10 0 DEAERO C[NH2+]Cc1ccnn1Cc1cc(OC)ccc1Br ZINC000087799496 185232344 /nfs/dbraw/zinc/23/23/44/185232344.db2.gz RPHSTGZNNRQSRN-UHFFFAOYSA-N 1 0 310.195 2.422 10 0 DEAERO COc1ccc(CN(C)Cc2csc(C)n2)cc1C(N)=[NH2+] ZINC000087827890 185232518 /nfs/dbraw/zinc/23/25/18/185232518.db2.gz RRKPXUCJAUQFQI-UHFFFAOYSA-N 1 0 304.419 2.376 10 0 DEAERO C[NH2+][C@@H](Cc1cc(Br)ccc1F)[C@H]1COCCO1 ZINC000087857664 185233523 /nfs/dbraw/zinc/23/35/23/185233523.db2.gz ZKIMPCZPFRBFMO-QWHCGFSZSA-N 1 0 318.186 2.134 10 0 DEAERO C[C@@H]1CC[C@@H](Nc2nc(NN)[nH+]cc2Br)[C@@H]1C ZINC000087882940 185234351 /nfs/dbraw/zinc/23/43/51/185234351.db2.gz CHAVLBFMKXQOBH-ZXFLCMHBSA-N 1 0 300.204 2.371 10 0 DEAERO CN(CCc1ccccc1)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000088196224 185241462 /nfs/dbraw/zinc/24/14/62/185241462.db2.gz JMSHRDFUIVPWIY-UHFFFAOYSA-N 1 0 304.415 2.009 10 0 DEAERO CO[C@H](c1noc([C@H]2CCC[N@@H+]2C2CCOCC2)n1)C1CC1 ZINC000328884509 231376084 /nfs/dbraw/zinc/37/60/84/231376084.db2.gz NWJKCDQGOBJQSH-KGLIPLIRSA-N 1 0 307.394 2.483 10 0 DEAERO O=S(=O)(CC1CC[NH2+]CC1)N1CCCCc2ccccc21 ZINC000088337519 185246484 /nfs/dbraw/zinc/24/64/84/185246484.db2.gz CQMAYNBAMYGDDZ-UHFFFAOYSA-N 1 0 308.447 2.159 10 0 DEAERO C[C@@H](CCCO)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000088480314 185252986 /nfs/dbraw/zinc/25/29/86/185252986.db2.gz BAXUCVHEJCUNGK-HNNXBMFYSA-N 1 0 319.449 2.243 10 0 DEAERO Cc1cc(C)nc(SC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000088398536 185248423 /nfs/dbraw/zinc/24/84/23/185248423.db2.gz FBTGEWIMNWKDJF-GJZGRUSLSA-N 1 0 303.431 2.116 10 0 DEAERO Nc1cc(F)cc(SC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000088398608 185248467 /nfs/dbraw/zinc/24/84/67/185248467.db2.gz OSEYBQLLJWDTNK-HOTGVXAUSA-N 1 0 306.406 2.431 10 0 DEAERO O=S(=O)(Cc1ccccc1)N1CC[NH2+]CC12CCCCC2 ZINC000088396203 185248538 /nfs/dbraw/zinc/24/85/38/185248538.db2.gz XHSNIHNWHXAICM-UHFFFAOYSA-N 1 0 308.447 2.125 10 0 DEAERO CC(C)C[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(C)C)o1 ZINC000088543729 185256825 /nfs/dbraw/zinc/25/68/25/185256825.db2.gz HSWDHNUIHKUIHL-UHFFFAOYSA-N 1 0 302.440 2.302 10 0 DEAERO CCC(CC)[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540790 185255703 /nfs/dbraw/zinc/25/57/03/185255703.db2.gz NJOYODWQBJXCMN-LLVKDONJSA-N 1 0 302.440 2.444 10 0 DEAERO CC[C@H](NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1)C(C)C ZINC000088542976 185256417 /nfs/dbraw/zinc/25/64/17/185256417.db2.gz QFRRQFOCIJHGBA-ZDUSSCGKSA-N 1 0 302.440 2.491 10 0 DEAERO C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)C1 ZINC000088704763 185262606 /nfs/dbraw/zinc/26/26/06/185262606.db2.gz NVFOBKMUDIOJJC-MNOVXSKESA-N 1 0 300.399 2.094 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000247187224 282214653 /nfs/dbraw/zinc/21/46/53/282214653.db2.gz WGLOVZNKDYYPRO-HYVNUMGLSA-N 1 0 318.465 2.351 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)C1CCOCC1)c1ccccc1 ZINC000081989718 192350368 /nfs/dbraw/zinc/35/03/68/192350368.db2.gz OUSQTXBQDXPRJJ-MRXNPFEDSA-N 1 0 311.447 2.321 10 0 DEAERO CCC[C@H]1CC[C@H]([NH2+]C)[C@H](S(=O)(=O)C2CCOCC2)C1 ZINC000081990055 192350458 /nfs/dbraw/zinc/35/04/58/192350458.db2.gz DFQHAIBNUQRFNH-AEGPPILISA-N 1 0 303.468 2.137 10 0 DEAERO CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](S(=O)(=O)C2CCOCC2)C1 ZINC000081989754 192350576 /nfs/dbraw/zinc/35/05/76/192350576.db2.gz DVGSZUNWQQVWMD-MRVWCRGKSA-N 1 0 303.468 2.122 10 0 DEAERO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(C)C2=O)cnn1-c1ccc(F)cc1 ZINC000090074619 185280951 /nfs/dbraw/zinc/28/09/51/185280951.db2.gz SAGUDYHUDOXRNB-BDJLRTHQSA-N 1 0 316.380 2.201 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)C1CCOCC1)c1ccc(C)c(C)c1 ZINC000081990516 192350998 /nfs/dbraw/zinc/35/09/98/192350998.db2.gz ZSJQELPSJDESBN-MRXNPFEDSA-N 1 0 311.447 2.158 10 0 DEAERO CC[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1cccc(C)c1 ZINC000090218752 185287044 /nfs/dbraw/zinc/28/70/44/185287044.db2.gz PUKOBJHLWOFDOW-HNNXBMFYSA-N 1 0 305.422 2.285 10 0 DEAERO CCC[NH2+][C@@H]1CCCCCC[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000082009979 192353047 /nfs/dbraw/zinc/35/30/47/192353047.db2.gz LKVQJWNCTJGNTF-KGLIPLIRSA-N 1 0 319.467 2.055 10 0 DEAERO [NH3+]CCc1nnc(CSc2cccc(Br)c2)[nH]1 ZINC000090249396 185288027 /nfs/dbraw/zinc/28/80/27/185288027.db2.gz BWISPKYWEFLGEV-UHFFFAOYSA-N 1 0 313.224 2.361 10 0 DEAERO C[NH+](C)CCN[C@H](CO)c1cc(Cl)ccc1Br ZINC000090252640 185288287 /nfs/dbraw/zinc/28/82/87/185288287.db2.gz UOUBNCHWOHFOMB-GFCCVEGCSA-N 1 0 321.646 2.287 10 0 DEAERO C[C@@H]([NH2+]Cc1c(Cl)cccc1S(C)(=O)=O)[C@H]1CCOC1 ZINC000166060017 197687650 /nfs/dbraw/zinc/68/76/50/197687650.db2.gz KCFNCVPFJDAXQW-MNOVXSKESA-N 1 0 317.838 2.258 10 0 DEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000090312235 185290394 /nfs/dbraw/zinc/29/03/94/185290394.db2.gz DDRIAMNTPBOLGB-TUAOUCFPSA-N 1 0 303.189 2.228 10 0 DEAERO Cc1ccc(NC(=O)CN2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2C)cc1Cl ZINC000090327378 185291232 /nfs/dbraw/zinc/29/12/32/185291232.db2.gz RXTDDEZGDYCXSL-SGMGOOAPSA-N 1 0 307.825 2.127 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1Cc1cn2cc(Cl)ccc2n1 ZINC000090337653 185291998 /nfs/dbraw/zinc/29/19/98/185291998.db2.gz HVXQVGLXFQKRIY-RISCZKNCSA-N 1 0 304.825 2.418 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1c1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000090364595 185292849 /nfs/dbraw/zinc/29/28/49/185292849.db2.gz QGDSQTQMWZTUSS-LDYMZIIASA-N 1 0 314.172 2.408 10 0 DEAERO CCC[NH2+]C[C@@]1(CCCS(=O)(=O)CC)CCO[C@H]1C1CC1 ZINC000166271076 197689995 /nfs/dbraw/zinc/68/99/95/197689995.db2.gz ZQIRWXOTWVNKIX-JKSUJKDBSA-N 1 0 317.495 2.386 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccncc1OC ZINC000189801795 529688914 /nfs/dbraw/zinc/68/89/14/529688914.db2.gz DZGPLDBXLYHNLA-STQMWFEESA-N 1 0 308.426 2.181 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000090380501 185293554 /nfs/dbraw/zinc/29/35/54/185293554.db2.gz CMVABRZEWQCGQO-IONNQARKSA-N 1 0 308.687 2.271 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000090433700 185296433 /nfs/dbraw/zinc/29/64/33/185296433.db2.gz XIMDZKXHXLGCAQ-YPMHNXCESA-N 1 0 312.797 2.300 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)COC[C@H]1[NH3+] ZINC000090599248 185305922 /nfs/dbraw/zinc/30/59/22/185305922.db2.gz FRHSYZLNQRFVGS-ZWNOBZJWSA-N 1 0 320.723 2.244 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1nc2ccccc2s1 ZINC000090539316 185301561 /nfs/dbraw/zinc/30/15/61/185301561.db2.gz JNULIIWOIDKVNH-CMPLNLGQSA-N 1 0 305.403 2.249 10 0 DEAERO C[C@]1(c2nc(-c3ccc(Br)cc3)no2)COC[C@@H]1[NH3+] ZINC000090573318 185304433 /nfs/dbraw/zinc/30/44/33/185304433.db2.gz GSDMEUJYBQNVKN-GWCFXTLKSA-N 1 0 324.178 2.114 10 0 DEAERO C[C@H]([NH3+])CC[S@@](=O)CCOc1ccc(Br)cc1 ZINC000166820033 197699997 /nfs/dbraw/zinc/69/99/97/197699997.db2.gz WAAATYDSJULCAS-BTDLBPIBSA-N 1 0 320.252 2.314 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSCC(F)(F)F)[C@H](C)C1 ZINC000090612346 185306751 /nfs/dbraw/zinc/30/67/51/185306751.db2.gz NUZMBXRTSKASAF-GHMZBOCLSA-N 1 0 312.401 2.471 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(COC(C)(C)C)on2)C1 ZINC000184182105 282247019 /nfs/dbraw/zinc/24/70/19/282247019.db2.gz MIKZQTQSGSZKQR-LBPRGKRZSA-N 1 0 309.410 2.204 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(C(N)=S)ccc1F ZINC000092629116 185330476 /nfs/dbraw/zinc/33/04/76/185330476.db2.gz VVMNFTYUEXCIHR-CQSZACIVSA-N 1 0 309.454 2.376 10 0 DEAERO CCCC(CCC)(C(N)=S)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092631785 185330541 /nfs/dbraw/zinc/33/05/41/185330541.db2.gz XMXVMNHEYXJWLU-ZDUSSCGKSA-N 1 0 313.511 2.412 10 0 DEAERO CCc1nn(C)c(CC(=O)CC[NH2+]C(C)C)c1Br ZINC000167632215 197711743 /nfs/dbraw/zinc/71/17/43/197711743.db2.gz PIBWUMIVYAUEOR-UHFFFAOYSA-N 1 0 316.243 2.245 10 0 DEAERO C[NH2+][C@H]1C(=O)Nc2cc(-n3ccnc3C)c(Br)cc21 ZINC000092776143 185339765 /nfs/dbraw/zinc/33/97/65/185339765.db2.gz KOBQMHMYGIOWKM-GFCCVEGCSA-N 1 0 321.178 2.156 10 0 DEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(-n3cccn3)c(Br)cc21 ZINC000092776103 185339968 /nfs/dbraw/zinc/33/99/68/185339968.db2.gz PQQVHKNTZKLALQ-LBPRGKRZSA-N 1 0 321.178 2.238 10 0 DEAERO NC(=O)c1csc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000092785847 185340994 /nfs/dbraw/zinc/34/09/94/185340994.db2.gz SPLZRGGCXDYYLN-AWEZNQCLSA-N 1 0 307.463 2.297 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](Sc1nc(C)cc(=O)[nH]1)C2 ZINC000092860557 185347101 /nfs/dbraw/zinc/34/71/01/185347101.db2.gz VHLXWLVACGCFJW-JSGCOSHPSA-N 1 0 303.387 2.216 10 0 DEAERO COCCC[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000181403913 199292030 /nfs/dbraw/zinc/29/20/30/199292030.db2.gz XTFMNUHEARHJQS-RDJZCZTQSA-N 1 0 306.450 2.338 10 0 DEAERO COc1ccc(Br)cc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092956233 185350353 /nfs/dbraw/zinc/35/03/53/185350353.db2.gz XLEAIDXHMWTKSW-PSASIEDQSA-N 1 0 313.195 2.394 10 0 DEAERO O=C(CC[N@@H+]1CCC[C@H](n2cncn2)C1)OCc1ccccc1 ZINC000181453307 199298846 /nfs/dbraw/zinc/29/88/46/199298846.db2.gz AMHYKXDJSCXOAB-INIZCTEOSA-N 1 0 314.389 2.049 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2)C12CCC2 ZINC000181615519 199327593 /nfs/dbraw/zinc/32/75/93/199327593.db2.gz IJOCCUDGWNGOLX-HZPDHXFCSA-N 1 0 302.418 2.354 10 0 DEAERO C[C@@H](C1CC1)N(C(=O)C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1)C1CC1 ZINC000188019040 282295721 /nfs/dbraw/zinc/29/57/21/282295721.db2.gz XXUSTPCPXUGXMY-QWQRMKEZSA-N 1 0 308.466 2.259 10 0 DEAERO CCCOc1c(OC)cc([C@@H]2NN=C3CC[NH2+]C[C@H]32)cc1OC ZINC000169964370 197763104 /nfs/dbraw/zinc/76/31/04/197763104.db2.gz KQNGEKJJHJBOCX-WBMJQRKESA-N 1 0 319.405 2.102 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1cccc(Br)c1 ZINC000089460339 539412235 /nfs/dbraw/zinc/41/22/35/539412235.db2.gz RCQZQBKNBBAWLG-YPMHNXCESA-N 1 0 311.223 2.440 10 0 DEAERO CC1(OCC(=O)Nc2ccc(-c3nccs3)cc2)C[NH2+]C1 ZINC000098060482 539436017 /nfs/dbraw/zinc/43/60/17/539436017.db2.gz QZZZFIMNVDZFJF-UHFFFAOYSA-N 1 0 303.387 2.127 10 0 DEAERO Fc1ccc2oc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)nc2c1 ZINC000119297968 539444587 /nfs/dbraw/zinc/44/45/87/539444587.db2.gz BURSDHUKDBTLTF-GFCCVEGCSA-N 1 0 315.352 2.471 10 0 DEAERO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cncnc3)C2)nc1 ZINC000122046800 539460642 /nfs/dbraw/zinc/46/06/42/539460642.db2.gz WFOFTRLJJCSSQW-OAHLLOKOSA-N 1 0 311.389 2.031 10 0 DEAERO c1ncc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cn1 ZINC000124107554 539467745 /nfs/dbraw/zinc/46/77/45/539467745.db2.gz JNILIHOQZWHCSC-OAHLLOKOSA-N 1 0 312.421 2.174 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CSCC(F)(F)F)[C@@H](C)C1 ZINC000245588576 282399194 /nfs/dbraw/zinc/39/91/94/282399194.db2.gz NUZMBXRTSKASAF-QWRGUYRKSA-N 1 0 312.401 2.471 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSCC(F)(F)F)[C@@H](C)C1 ZINC000245588581 282399470 /nfs/dbraw/zinc/39/94/70/282399470.db2.gz NUZMBXRTSKASAF-WDEREUQCSA-N 1 0 312.401 2.471 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000111268227 185568676 /nfs/dbraw/zinc/56/86/76/185568676.db2.gz DKLPQXSVMSVJAX-IPYPFGDCSA-N 1 0 308.447 2.111 10 0 DEAERO CC(C)[NH2+]Cc1ccc(SCCS(C)(=O)=O)c(F)c1 ZINC000111553241 185612632 /nfs/dbraw/zinc/61/26/32/185612632.db2.gz RXTAPYSGUDKJFL-UHFFFAOYSA-N 1 0 305.440 2.460 10 0 DEAERO CC(C)CCS(=O)(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000111658025 185622004 /nfs/dbraw/zinc/62/20/04/185622004.db2.gz LUJHCOHRBQPCNK-AWEZNQCLSA-N 1 0 302.484 2.407 10 0 DEAERO CC(C)CCS(=O)(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000111658023 185622264 /nfs/dbraw/zinc/62/22/64/185622264.db2.gz LUJHCOHRBQPCNK-CQSZACIVSA-N 1 0 302.484 2.407 10 0 DEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000136300741 539517384 /nfs/dbraw/zinc/51/73/84/539517384.db2.gz BURBTSWDBVRKEO-HNNXBMFYSA-N 1 0 309.841 2.362 10 0 DEAERO Cc1cccc(S(=O)(=O)N2CCC(C[NH2+]C3CC3)CC2)c1 ZINC000111719032 185630740 /nfs/dbraw/zinc/63/07/40/185630740.db2.gz ZDTVBLBGMBPUOB-UHFFFAOYSA-N 1 0 308.447 2.148 10 0 DEAERO Cc1ccc(C2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000333815613 282971203 /nfs/dbraw/zinc/97/12/03/282971203.db2.gz KBAAPSOJCPCDLM-QGZVFWFLSA-N 1 0 316.449 2.421 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@@H]1c1cnn(C)c1)C(C)(C)C[NH+](C)C ZINC000119552932 185759496 /nfs/dbraw/zinc/75/94/96/185759496.db2.gz QDEIQJDBWVJVHK-DZGCQCFKSA-N 1 0 321.469 2.243 10 0 DEAERO C[C@H]1CCN(C(=O)c2sccc2Br)C[C@H]1[NH3+] ZINC000069718882 190807807 /nfs/dbraw/zinc/80/78/07/190807807.db2.gz HVKPWXHTBRXVOO-IONNQARKSA-N 1 0 303.225 2.320 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000248879119 282535565 /nfs/dbraw/zinc/53/55/65/282535565.db2.gz ROZFCUWSINBCMK-KBMXLJTQSA-N 1 0 302.418 2.179 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC000248902450 282537160 /nfs/dbraw/zinc/53/71/60/282537160.db2.gz ALBAFEUZLKRDGI-HLLBOEOZSA-N 1 0 310.482 2.364 10 0 DEAERO [NH3+]CCCOCCNC(=O)Nc1cc(Cl)ccc1Cl ZINC000625827585 365919042 /nfs/dbraw/zinc/91/90/42/365919042.db2.gz UTLJMTNNGRGELW-UHFFFAOYSA-N 1 0 306.193 2.480 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000123927106 185857002 /nfs/dbraw/zinc/85/70/02/185857002.db2.gz ZNYPDXHOJVRIQO-DOMZBBRYSA-N 1 0 304.415 2.198 10 0 DEAERO CC(C)(CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000236673735 201959131 /nfs/dbraw/zinc/95/91/31/201959131.db2.gz SGGHYMILZWGYIS-OCCSQVGLSA-N 1 0 318.417 2.327 10 0 DEAERO C[C@@H]1CCCN(c2ccccc2S(=O)(=O)C(F)F)[C@@H]1C[NH3+] ZINC000070178449 190868759 /nfs/dbraw/zinc/86/87/59/190868759.db2.gz QCILOUUNYDXXKH-ZYHUDNBSSA-N 1 0 318.389 2.247 10 0 DEAERO [NH3+]CC[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2)C1 ZINC000616589346 362894087 /nfs/dbraw/zinc/89/40/87/362894087.db2.gz MFTPSAZNPIQCNL-AWEZNQCLSA-N 1 0 316.426 2.403 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2coc(Br)c2)C[N@@H+]1C1CC1 ZINC000177185253 539629500 /nfs/dbraw/zinc/62/95/00/539629500.db2.gz PYCPSSTWRRXZDF-WPRPVWTQSA-N 1 0 313.195 2.397 10 0 DEAERO CNc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc(Cl)n1 ZINC000083552805 192372119 /nfs/dbraw/zinc/37/21/19/192372119.db2.gz CCLQVQBLYLHJGX-CMPLNLGQSA-N 1 0 308.813 2.085 10 0 DEAERO CCC[C@H](C)C[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000181113501 539650467 /nfs/dbraw/zinc/65/04/67/539650467.db2.gz MCFBDRVOWLDTKV-AWEZNQCLSA-N 1 0 304.500 2.462 10 0 DEAERO CN(C(=O)c1c[nH]nc1-c1ccc(F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000080482590 192160609 /nfs/dbraw/zinc/16/06/09/192160609.db2.gz QADWTPBYIIKBDK-CQSZACIVSA-N 1 0 316.380 2.382 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(C)c3)C2=O)n(C)n1 ZINC000080526934 192165063 /nfs/dbraw/zinc/16/50/63/192165063.db2.gz DZRFDAHWVTZLMK-MRXNPFEDSA-N 1 0 312.417 2.322 10 0 DEAERO CCS(=O)(=O)C[C@H](C)N(C)Cc1cccc2cnccc21 ZINC000183304605 539661158 /nfs/dbraw/zinc/66/11/58/539661158.db2.gz NYCADRMEUCLIFX-ZDUSSCGKSA-N 1 0 306.431 2.490 10 0 DEAERO CC1(C)Cc2cccc(C[NH2+][C@@]3(C)CCS(=O)(=O)C3)c2O1 ZINC000080507830 192164190 /nfs/dbraw/zinc/16/41/90/192164190.db2.gz XWUVPZHAYFBYKE-INIZCTEOSA-N 1 0 309.431 2.067 10 0 DEAERO Cc1ccc(N[C@@H]2CCCOC2)cc1NC(=O)CC[NH+](C)C ZINC000184651916 539669289 /nfs/dbraw/zinc/66/92/89/539669289.db2.gz BETINYAIIOTZQL-OAHLLOKOSA-N 1 0 305.422 2.476 10 0 DEAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)CC[NH3+] ZINC000130087170 185935298 /nfs/dbraw/zinc/93/52/98/185935298.db2.gz IXCVXBONJAMCEN-QWRGUYRKSA-N 1 0 313.239 2.481 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000185956054 539673510 /nfs/dbraw/zinc/67/35/10/539673510.db2.gz MWBSOBWRQKQOHZ-USCDJENESA-N 1 0 320.477 2.164 10 0 DEAERO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)CCC1 ZINC000277374758 213479290 /nfs/dbraw/zinc/47/92/90/213479290.db2.gz ZPKGXMNBBVKSCK-KXBFYZLASA-N 1 0 314.429 2.327 10 0 DEAERO C[NH2+][C@@H](Cc1cc(Br)cs1)[C@@H]1COCCO1 ZINC000083743396 192380443 /nfs/dbraw/zinc/38/04/43/192380443.db2.gz LPZITHKCCPQEIH-QWRGUYRKSA-N 1 0 306.225 2.057 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Br)s1)[C@@H]1COCCO1 ZINC000083743248 192380689 /nfs/dbraw/zinc/38/06/89/192380689.db2.gz FPXVAKIJBDAZNG-UWVGGRQHSA-N 1 0 306.225 2.057 10 0 DEAERO COc1cccc([C@H](CNC(=O)c2ccn(C)c2C)[NH+](C)C)c1 ZINC000194988252 539719861 /nfs/dbraw/zinc/71/98/61/539719861.db2.gz SSWUDMUMHVXKKH-KRWDZBQOSA-N 1 0 315.417 2.375 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000071397067 190966622 /nfs/dbraw/zinc/96/66/22/190966622.db2.gz HOFSYOZMJMCCOF-NSHDSACASA-N 1 0 314.227 2.142 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000071397066 190966629 /nfs/dbraw/zinc/96/66/29/190966629.db2.gz HOFSYOZMJMCCOF-LLVKDONJSA-N 1 0 314.227 2.142 10 0 DEAERO [NH3+][C@@H](Cc1ccc(I)cc1)[C@H]1CCOC1 ZINC000083850952 192386750 /nfs/dbraw/zinc/38/67/50/192386750.db2.gz SMDPUFZEKZWZOO-JQWIXIFHSA-N 1 0 317.170 2.198 10 0 DEAERO CC(C)[C@H]1C[C@@H](CNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCO1 ZINC000333835829 282977658 /nfs/dbraw/zinc/97/76/58/282977658.db2.gz UFPRZFOIFKYTBO-JKSUJKDBSA-N 1 0 323.481 2.223 10 0 DEAERO C[NH2+]CCc1nc2cc(C)ccc2n1CC(=O)NC1CCCC1 ZINC000071667014 191002094 /nfs/dbraw/zinc/00/20/94/191002094.db2.gz IWVHTCDEYUZFNX-UHFFFAOYSA-N 1 0 314.433 2.165 10 0 DEAERO CCCn1ncc(Br)c1[C@]1(O)CC[NH2+]C[C@@H]1CC ZINC000133537422 185994034 /nfs/dbraw/zinc/99/40/34/185994034.db2.gz HUWPKZVBZRMMKJ-GWCFXTLKSA-N 1 0 316.243 2.263 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1cccc(Br)c1N ZINC000071697796 191008100 /nfs/dbraw/zinc/00/81/00/191008100.db2.gz RSQLYJBRKYFQRU-UHFFFAOYSA-N 1 0 314.227 2.103 10 0 DEAERO Cc1ccc2c(N3C[C@@H]4C[C@@H](O)[C@@H](O)C[C@@H]4C3)cc[nH+]c2c1C ZINC000071714453 191010424 /nfs/dbraw/zinc/01/04/24/191010424.db2.gz GMASWNVTVOUEQX-PURYLZLUSA-N 1 0 312.413 2.420 10 0 DEAERO [NH3+]Cc1ccc(C(=O)NCCCCOCc2ccccc2)o1 ZINC000237907770 539750916 /nfs/dbraw/zinc/75/09/16/539750916.db2.gz VPLJLLZETBAYQV-UHFFFAOYSA-N 1 0 302.374 2.465 10 0 DEAERO CS(=O)(=O)Nc1ccc(Cl)c(N[C@@H]2CCC[NH2+]CC2)c1 ZINC000133671619 186005538 /nfs/dbraw/zinc/00/55/38/186005538.db2.gz MEYPVDCADSNVPC-SNVBAGLBSA-N 1 0 317.842 2.266 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000245756379 539758290 /nfs/dbraw/zinc/75/82/90/539758290.db2.gz ZORZOELOJGUGSB-YALNPMBYSA-N 1 0 304.434 2.232 10 0 DEAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1 ZINC000138347328 186016416 /nfs/dbraw/zinc/01/64/16/186016416.db2.gz IDWBTLVMYLFOHV-AOOOYVTPSA-N 1 0 318.389 2.090 10 0 DEAERO CC(C)[C@H](C)N(C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138523190 186017939 /nfs/dbraw/zinc/01/79/39/186017939.db2.gz RXDWVDUVWQHKQC-VIFPVBQESA-N 1 0 306.378 2.089 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(OC)cc1OCCS(=O)(=O)CC ZINC000138536312 186017974 /nfs/dbraw/zinc/01/79/74/186017974.db2.gz QHHOUXKQFYYAFH-GFCCVEGCSA-N 1 0 315.435 2.179 10 0 DEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)c1ncccc1Br ZINC000140481121 186027084 /nfs/dbraw/zinc/02/70/84/186027084.db2.gz BHOWZTFQQGABTE-LBPRGKRZSA-N 1 0 309.211 2.471 10 0 DEAERO CC[C@H](C)[C@H]1N[C@@H](c2ccc(C)s2)N(CC[NH+](C)C)C1=O ZINC000139968919 186025071 /nfs/dbraw/zinc/02/50/71/186025071.db2.gz FVBSWQHTNBBBMB-NILFDRSVSA-N 1 0 309.479 2.463 10 0 DEAERO O=C(NCc1sccc1Br)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000148226640 186044009 /nfs/dbraw/zinc/04/40/09/186044009.db2.gz KWVXKGCPPPSOAQ-WEDXCCLWSA-N 1 0 315.236 2.267 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1CNCc1sccc1Br ZINC000148336559 186044344 /nfs/dbraw/zinc/04/43/44/186044344.db2.gz YHGXEZNZPBUEIB-MWLCHTKSSA-N 1 0 319.268 2.225 10 0 DEAERO CCC[NH2+]Cc1nnnn1-c1ccc(Br)cc1CC ZINC000148466133 186044546 /nfs/dbraw/zinc/04/45/46/186044546.db2.gz LCBSCPVMLFUDOS-UHFFFAOYSA-N 1 0 324.226 2.487 10 0 DEAERO Cc1ccc([C@@H]2NCC(=O)N2C[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000143218481 186033570 /nfs/dbraw/zinc/03/35/70/186033570.db2.gz WCTIVLFPJZJOCB-CZUORRHYSA-N 1 0 307.463 2.217 10 0 DEAERO Cc1ccc([C@H]2NCC(=O)N2C[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000143219090 186033734 /nfs/dbraw/zinc/03/37/34/186033734.db2.gz WCTIVLFPJZJOCB-BBRMVZONSA-N 1 0 307.463 2.217 10 0 DEAERO CC[C@@H]1N[C@@H](c2ccsc2)N(C[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000144372302 186035117 /nfs/dbraw/zinc/03/51/17/186035117.db2.gz GOKRGXJHTJEIBD-SOUVJXGZSA-N 1 0 307.463 2.441 10 0 DEAERO CCC[NH2+]CCc1ccc(S(=O)(=O)N(C)C2CCC2)cc1 ZINC000144609280 186035820 /nfs/dbraw/zinc/03/58/20/186035820.db2.gz ISOVQMRXLROYKT-UHFFFAOYSA-N 1 0 310.463 2.402 10 0 DEAERO C[N@@H+]1CC[C@H](N2C(=O)C3(CCCC3)N[C@H]2c2cccs2)C1 ZINC000145216514 186036284 /nfs/dbraw/zinc/03/62/84/186036284.db2.gz AURVSCRZHPLCDQ-GXTWGEPZSA-N 1 0 305.447 2.195 10 0 DEAERO CC[NH+](CC)C[C@@H](C)N1C(=O)C2(CC2)N[C@@H]1c1ccsc1 ZINC000145105969 186036438 /nfs/dbraw/zinc/03/64/38/186036438.db2.gz ITJAFAASTFXJSK-OCCSQVGLSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@H](O)C(C)(C)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000145027263 186036540 /nfs/dbraw/zinc/03/65/40/186036540.db2.gz NHZJMVVKZBCDOX-UWVGGRQHSA-N 1 0 322.232 2.482 10 0 DEAERO Cc1c(C(=O)N2CCC[N@@H+](C3CC3)CC2)cnn1C(C)(C)C ZINC000148933826 186046659 /nfs/dbraw/zinc/04/66/59/186046659.db2.gz HCFKPWVYOOXASH-UHFFFAOYSA-N 1 0 304.438 2.257 10 0 DEAERO C[C@H]1CCC[C@@](C[NH3+])(NS(=O)(=O)CCc2ccccc2)C1 ZINC000149590683 186051988 /nfs/dbraw/zinc/05/19/88/186051988.db2.gz JBHHVYDAJFRYLW-GOEBONIOSA-N 1 0 310.463 2.056 10 0 DEAERO CCc1nn(CC)c(C[NH2+][C@H]2CCO[C@@H]2C)c1Br ZINC000149659962 186051992 /nfs/dbraw/zinc/05/19/92/186051992.db2.gz ASSIPMXSJXJEEO-KOLCDFICSA-N 1 0 316.243 2.495 10 0 DEAERO C[NH2+][C@@H](Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000150048768 186054024 /nfs/dbraw/zinc/05/40/24/186054024.db2.gz VBAWCGXWLQXAKV-AAEUAGOBSA-N 1 0 321.364 2.271 10 0 DEAERO [NH3+][C@H](Cc1nc(-c2ccccc2)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000150002038 186054142 /nfs/dbraw/zinc/05/41/42/186054142.db2.gz SSVZVNYXZSRYLS-QWHCGFSZSA-N 1 0 322.455 2.115 10 0 DEAERO [NH3+][C@H](c1cccc(OC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000150018611 186054198 /nfs/dbraw/zinc/05/41/98/186054198.db2.gz KMGXRNVLMFTQNZ-MWLCHTKSSA-N 1 0 309.309 2.020 10 0 DEAERO CC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C)CC[C@H]1[NH3+] ZINC000251622664 539783758 /nfs/dbraw/zinc/78/37/58/539783758.db2.gz FBHZXECFRWHQRJ-WCQYABFASA-N 1 0 316.854 2.396 10 0 DEAERO Cc1cccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252419327 539784026 /nfs/dbraw/zinc/78/40/26/539784026.db2.gz ZBJONLVIMAGEHZ-GDBMZVCRSA-N 1 0 308.447 2.148 10 0 DEAERO CC[C@H]1CN(Cc2cccc(OC)c2F)CC[N@@H+]1C[C@H](C)O ZINC000249455354 539780408 /nfs/dbraw/zinc/78/04/08/539780408.db2.gz XQSIPOWJYXZJBV-ZFWWWQNUSA-N 1 0 310.413 2.111 10 0 DEAERO Cc1cc(C(=O)NC[C@H]([NH3+])C2CC2)sc1Br ZINC000150315779 186056521 /nfs/dbraw/zinc/05/65/21/186056521.db2.gz NUJCZYUBWHLWPV-QMMMGPOBSA-N 1 0 303.225 2.286 10 0 DEAERO C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)CC1CCOCC1 ZINC000155840442 186116723 /nfs/dbraw/zinc/11/67/23/186116723.db2.gz HKEHPMJOHWSXFL-ZDUSSCGKSA-N 1 0 322.371 2.146 10 0 DEAERO COc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1OC ZINC000155687514 186103127 /nfs/dbraw/zinc/10/31/27/186103127.db2.gz BHCHYLOVBJDDOB-OCCSQVGLSA-N 1 0 306.406 2.162 10 0 DEAERO COc1cc(C)c([C@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1OC ZINC000155785776 186112722 /nfs/dbraw/zinc/11/27/22/186112722.db2.gz IVVZHDKWJKAGLA-LBPRGKRZSA-N 1 0 321.421 2.206 10 0 DEAERO Fc1cc(Br)cc(COC[C@@H]2C[NH2+]CCO2)c1 ZINC000164005676 186145258 /nfs/dbraw/zinc/14/52/58/186145258.db2.gz XGVMJOYMXZHNRC-LBPRGKRZSA-N 1 0 304.159 2.093 10 0 DEAERO Fc1cc(Br)cc(COC[C@H]2C[NH2+]CCO2)c1 ZINC000164005789 186145604 /nfs/dbraw/zinc/14/56/04/186145604.db2.gz XGVMJOYMXZHNRC-GFCCVEGCSA-N 1 0 304.159 2.093 10 0 DEAERO COCCN(C)[C@@H](C[NH3+])c1ccc(C)cc1Br ZINC000164069022 186147909 /nfs/dbraw/zinc/14/79/09/186147909.db2.gz LXPQKQNTGXWCPR-ZDUSSCGKSA-N 1 0 301.228 2.336 10 0 DEAERO COc1cc(C[NH2+]C[C@@H](C)[S@](C)=O)cc(Cl)c1OC ZINC000159692483 186135533 /nfs/dbraw/zinc/13/55/33/186135533.db2.gz SLNMNGBDUSLLQT-AYLIAGHASA-N 1 0 305.827 2.214 10 0 DEAERO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000163895619 186141697 /nfs/dbraw/zinc/14/16/97/186141697.db2.gz XPPVDURZVWUSDD-GFCCVEGCSA-N 1 0 312.822 2.488 10 0 DEAERO CCC[NH2+]CC(CC)(CC)CN1C[C@@H](CO)OC(C)(C)C1 ZINC000163923177 186142366 /nfs/dbraw/zinc/14/23/66/186142366.db2.gz ULVPDXVCEWLIGD-HNNXBMFYSA-N 1 0 300.487 2.264 10 0 DEAERO C[C@@H](C(=O)N(Cc1cccs1)C[C@@H]1CCCO1)C1C[NH2+]C1 ZINC000164168423 186151005 /nfs/dbraw/zinc/15/10/05/186151005.db2.gz SKUNFTQONZSPIQ-OCCSQVGLSA-N 1 0 308.447 2.111 10 0 DEAERO C[C@H](C(=O)N(Cc1ccccc1)CC(F)(F)F)C1C[NH2+]C1 ZINC000164167635 186151375 /nfs/dbraw/zinc/15/13/75/186151375.db2.gz CCXQKGPWDKWXJA-NSHDSACASA-N 1 0 300.324 2.433 10 0 DEAERO C[NH+](C)[C@H]1CCN(c2ccc(C(F)(F)F)c(C(N)=S)c2)C1 ZINC000164212947 186151741 /nfs/dbraw/zinc/15/17/41/186151741.db2.gz JVCMNJMVWRUNNU-JTQLQIEISA-N 1 0 317.380 2.480 10 0 DEAERO C[C@@H](C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)C1C[NH2+]C1 ZINC000164278485 186154652 /nfs/dbraw/zinc/15/46/52/186154652.db2.gz GVLLZWDSFHUAAE-IAQYHMDHSA-N 1 0 308.809 2.095 10 0 DEAERO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000164321956 186156065 /nfs/dbraw/zinc/15/60/65/186156065.db2.gz RLCZBHHEYUVWKA-PWJLMRLQSA-N 1 0 308.216 2.445 10 0 DEAERO [NH3+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1cscc1Br ZINC000164381980 186158037 /nfs/dbraw/zinc/15/80/37/186158037.db2.gz SWPVFICRSZIOFN-XCBNKYQSSA-N 1 0 324.265 2.335 10 0 DEAERO CCc1cc2c(ncnc2N2C[C@@H](C[NH3+])OC(C)(C)C2)s1 ZINC000164457559 186159157 /nfs/dbraw/zinc/15/91/57/186159157.db2.gz KDZPGYHYXMGCEC-SNVBAGLBSA-N 1 0 306.435 2.196 10 0 DEAERO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)[C@H]1CCOC1 ZINC000177853331 186193968 /nfs/dbraw/zinc/19/39/68/186193968.db2.gz OKTXOEJSAUETMN-ZBFHGGJFSA-N 1 0 302.418 2.306 10 0 DEAERO CCC[C@H]([NH2+]CC(=O)NC(N)=O)c1cccc(C(F)(F)F)c1 ZINC000181867990 186213111 /nfs/dbraw/zinc/21/31/11/186213111.db2.gz WKGKZPBPKAKMHU-NSHDSACASA-N 1 0 317.311 2.331 10 0 DEAERO CCCc1cc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)n(C)n1 ZINC000179693274 186206348 /nfs/dbraw/zinc/20/63/48/186206348.db2.gz PKCAMXYJEZUTAU-CQSZACIVSA-N 1 0 307.442 2.321 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000187992549 186240214 /nfs/dbraw/zinc/24/02/14/186240214.db2.gz NUQJRBKEVQHXIF-BLLLJJGKSA-N 1 0 304.394 2.058 10 0 DEAERO Cc1ccccc1CNC(=O)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187990108 186240546 /nfs/dbraw/zinc/24/05/46/186240546.db2.gz CCTGEXIOFKZYBH-KBXCAEBGSA-N 1 0 304.434 2.094 10 0 DEAERO Cc1csc2nc(C[N@@H+](C)[C@@]3(CO)CC[C@H](C)C3)cc(=O)n12 ZINC000188001892 186242036 /nfs/dbraw/zinc/24/20/36/186242036.db2.gz JRMJLTSUFSGYTE-ZBEGNZNMSA-N 1 0 321.446 2.047 10 0 DEAERO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(-c2ncon2)cc1 ZINC000187988618 186240149 /nfs/dbraw/zinc/24/01/49/186240149.db2.gz HOJJNLLGXZTABO-UHFFFAOYSA-N 1 0 314.389 2.293 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000617021534 363003025 /nfs/dbraw/zinc/00/30/25/363003025.db2.gz YJCPGKHLPMDGEB-CYBMUJFWSA-N 1 0 305.422 2.437 10 0 DEAERO O=C(NCCc1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171897369 198004504 /nfs/dbraw/zinc/00/45/04/198004504.db2.gz ZBGRZLJPBWGMEI-HNNXBMFYSA-N 1 0 307.825 2.372 10 0 DEAERO Cc1ccccc1C[C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171902860 198004848 /nfs/dbraw/zinc/00/48/48/198004848.db2.gz XZWLVSGQOFKKCI-DOTOQJQBSA-N 1 0 301.434 2.416 10 0 DEAERO Cc1ccc(CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000171904792 198005310 /nfs/dbraw/zinc/00/53/10/198005310.db2.gz DRPJWNRYMUUYHD-KRWDZBQOSA-N 1 0 301.434 2.336 10 0 DEAERO O=C(NCCc1ccccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905013 198005429 /nfs/dbraw/zinc/00/54/29/198005429.db2.gz AYMNJVFHTFBESL-CQSZACIVSA-N 1 0 307.825 2.372 10 0 DEAERO O=C(NCC1(c2ccc(F)cc2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171902050 198005523 /nfs/dbraw/zinc/00/55/23/198005523.db2.gz RNLKJXUEJIMENU-MRXNPFEDSA-N 1 0 317.408 2.347 10 0 DEAERO COC(C)(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000171948299 198013434 /nfs/dbraw/zinc/01/34/34/198013434.db2.gz TZMRYFBPYKEAIQ-UHFFFAOYSA-N 1 0 314.495 2.279 10 0 DEAERO COc1cc(CN2CC[NH+](CC(C)C)CC2)cc2c1OCCO2 ZINC000171926502 198008862 /nfs/dbraw/zinc/00/88/62/198008862.db2.gz OFFKJLOTKASABX-UHFFFAOYSA-N 1 0 320.433 2.240 10 0 DEAERO COC(=O)c1oc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1C ZINC000172057009 198031962 /nfs/dbraw/zinc/03/19/62/198031962.db2.gz WZOARPPFFFGCJD-GFCCVEGCSA-N 1 0 303.362 2.098 10 0 DEAERO C/C(=C\C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cccc(F)c1 ZINC000172308043 198077214 /nfs/dbraw/zinc/07/72/14/198077214.db2.gz CUEYGTAANHYLHC-WQMJKPAKSA-N 1 0 306.381 2.018 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H](c2ccccc2)O1 ZINC000333877938 282984469 /nfs/dbraw/zinc/98/44/69/282984469.db2.gz VRJKNLDODIMBKH-DJIMGWMZSA-N 1 0 317.433 2.300 10 0 DEAERO C[C@@](CO)([NH2+]C[C@H](O)COCc1ccccc1)C1CCCCC1 ZINC000172552403 198114488 /nfs/dbraw/zinc/11/44/88/198114488.db2.gz BZSDQOOHYONRLK-OALUTQOASA-N 1 0 321.461 2.485 10 0 DEAERO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172801954 198150563 /nfs/dbraw/zinc/15/05/63/198150563.db2.gz MONQATGIWFCQQZ-CZUORRHYSA-N 1 0 305.397 2.323 10 0 DEAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCC(=O)NC(=O)NC)o1 ZINC000172871231 198160018 /nfs/dbraw/zinc/16/00/18/198160018.db2.gz FWVBKUYXSRCFSW-CYBMUJFWSA-N 1 0 307.394 2.215 10 0 DEAERO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000072897343 191249716 /nfs/dbraw/zinc/24/97/16/191249716.db2.gz YOQJOHMGPOEDBG-KBPBESRZSA-N 1 0 317.433 2.447 10 0 DEAERO O=C([C@H]1SCCc2sccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173098821 198184951 /nfs/dbraw/zinc/18/49/51/198184951.db2.gz BFVAWRJTKAVOAD-RISCZKNCSA-N 1 0 308.472 2.385 10 0 DEAERO CC(C)Nc1ncccc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173180391 198193162 /nfs/dbraw/zinc/19/31/62/198193162.db2.gz OHZZJEYZEXWZDT-ZIAGYGMSSA-N 1 0 304.438 2.457 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(F)ccc2F)CC[N@@H+]1C ZINC000173277046 198205993 /nfs/dbraw/zinc/20/59/93/198205993.db2.gz VZKGIGHGKKBEQE-CMPLNLGQSA-N 1 0 318.389 2.068 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccccc2F)CC[N@@H+]1C ZINC000173441492 198215752 /nfs/dbraw/zinc/21/57/52/198215752.db2.gz NFCHJFZKIJOORC-ZFWWWQNUSA-N 1 0 307.413 2.492 10 0 DEAERO O=C(N[C@H]1CCOc2ccccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000333414178 539958564 /nfs/dbraw/zinc/95/85/64/539958564.db2.gz RRYYLIQHLTYRNN-HNNXBMFYSA-N 1 0 315.417 2.295 10 0 DEAERO C[C@@H](CCc1ccccc1F)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000173522584 198223855 /nfs/dbraw/zinc/22/38/55/198223855.db2.gz LDTMNMKMXACDEL-HOCLYGCPSA-N 1 0 322.424 2.183 10 0 DEAERO CC(C)[NH2+]C[C@@H](O)Cc1ccc(I)cc1 ZINC000084993476 192479294 /nfs/dbraw/zinc/47/92/94/192479294.db2.gz DWSVWMIACNWUEJ-LBPRGKRZSA-N 1 0 319.186 2.193 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000173830552 198258360 /nfs/dbraw/zinc/25/83/60/198258360.db2.gz CXOAJCRHIUUIBQ-ZIAGYGMSSA-N 1 0 312.410 2.073 10 0 DEAERO CCCNC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174018589 198281438 /nfs/dbraw/zinc/28/14/38/198281438.db2.gz RMXFDLPTMQNESN-KRWDZBQOSA-N 1 0 319.449 2.141 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc3c2OCO3)CC[N@@H+]1C ZINC000174224976 198308174 /nfs/dbraw/zinc/30/81/74/198308174.db2.gz VGZKJXRNGBTJDB-TZMCWYRMSA-N 1 0 319.405 2.039 10 0 DEAERO C[C@@H](O)CN1CCN(C(=O)c2ccc3c(c2)CCCC3)C[C@H]1C ZINC000174339237 198321484 /nfs/dbraw/zinc/32/14/84/198321484.db2.gz RVHBHRIKBUBDIV-HUUCEWRRSA-N 1 0 316.445 2.093 10 0 DEAERO CCc1ccsc1C(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000174644357 198364287 /nfs/dbraw/zinc/36/42/87/198364287.db2.gz SHUYLEZUESHGGF-OCCSQVGLSA-N 1 0 310.463 2.228 10 0 DEAERO COc1ccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1F ZINC000176448146 198587374 /nfs/dbraw/zinc/58/73/74/198587374.db2.gz MXAMOPHOZONQER-WFASDCNBSA-N 1 0 323.412 2.362 10 0 DEAERO CN1CCC[C@@H](C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1=O ZINC000333969518 283001507 /nfs/dbraw/zinc/00/15/07/283001507.db2.gz UTNVGFDXXHUMJU-JKSUJKDBSA-N 1 0 315.417 2.042 10 0 DEAERO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236788799 202009416 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COc1c(Cl)ccc(Cl)c1C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000074864864 191375477 /nfs/dbraw/zinc/37/54/77/191375477.db2.gz DMYQKPZKXMYXCV-QMMMGPOBSA-N 1 0 303.189 2.436 10 0 DEAERO c1cc(-c2ccc(C[N@@H+]3CCOC4(CCOCC4)CC3)o2)n[nH]1 ZINC000363747604 283095179 /nfs/dbraw/zinc/09/51/79/283095179.db2.gz MPUYESSADYDRII-UHFFFAOYSA-N 1 0 317.389 2.441 10 0 DEAERO C[C@@H]([NH3+])Cc1csc2nc(-c3ccc4[nH]c(=O)oc4c3)cn12 ZINC000075265015 191451996 /nfs/dbraw/zinc/45/19/96/191451996.db2.gz YUOZDFPUTZUCGX-MRVPVSSYSA-N 1 0 314.370 2.387 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1ccc(Br)s1)C(F)(F)F ZINC000401756223 540142623 /nfs/dbraw/zinc/14/26/23/540142623.db2.gz RGWHTCIXNCPGFX-RXMQYKEDSA-N 1 0 317.130 2.130 10 0 DEAERO Cc1nn(CC[C@](C)(CO)[NH2+]C(C)C)c(C)c1Br ZINC000085262293 192486775 /nfs/dbraw/zinc/48/67/75/192486775.db2.gz ZERIJDPSUHTUOV-CYBMUJFWSA-N 1 0 318.259 2.402 10 0 DEAERO C[NH+](C)[C@@H]1CN(Cc2ccccn2)CC[C@]1(O)c1ccccc1 ZINC000097942724 355706873 /nfs/dbraw/zinc/70/68/73/355706873.db2.gz 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/nfs/dbraw/zinc/04/09/62/356040962.db2.gz KMJRNHWBRONHDG-HOTGVXAUSA-N 1 0 309.498 2.488 10 0 DEAERO CC(C)[C@@H](C)CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000179375875 356024147 /nfs/dbraw/zinc/02/41/47/356024147.db2.gz URNOHGCUPOSFPV-AWEZNQCLSA-N 1 0 322.453 2.113 10 0 DEAERO CCCCN(CCCO)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000179614288 356030076 /nfs/dbraw/zinc/03/00/76/356030076.db2.gz AWEDHPHBDSVRIZ-UHFFFAOYSA-N 1 0 313.486 2.301 10 0 DEAERO NC(=[NH2+])c1cc(NS(=O)(=O)Cc2ccccc2)ccc1F ZINC000079799406 191974293 /nfs/dbraw/zinc/97/42/93/191974293.db2.gz ZIIBWVVYVPEVCL-UHFFFAOYSA-N 1 0 307.350 2.052 10 0 DEAERO C[C@H](C(=O)NC1CCCCC1)[N@H+](CC(N)=S)C1CCCC1 ZINC000080222905 192013840 /nfs/dbraw/zinc/01/38/40/192013840.db2.gz GBHTZKSABUYBRK-GFCCVEGCSA-N 1 0 311.495 2.355 10 0 DEAERO CC[C@@](C)(CO)[NH2+]CC(=O)Nc1ccccc1Br ZINC000080108415 192001696 /nfs/dbraw/zinc/00/16/96/192001696.db2.gz JNFUFIHAAOZJIR-ZDUSSCGKSA-N 1 0 315.211 2.138 10 0 DEAERO CC[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1nccs1 ZINC000080268795 192018803 /nfs/dbraw/zinc/01/88/03/192018803.db2.gz PTJBHQTXRQAXFV-KBPBESRZSA-N 1 0 301.415 2.425 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000188111441 356214057 /nfs/dbraw/zinc/21/40/57/356214057.db2.gz YHHULYFOYADUIO-GJZGRUSLSA-N 1 0 322.449 2.402 10 0 DEAERO CC[C@H]([NH2+]CCCn1ccnn1)c1ccc2c(c1)OCCO2 ZINC000184269137 356189367 /nfs/dbraw/zinc/18/93/67/356189367.db2.gz WFCROUSURSAGBE-AWEZNQCLSA-N 1 0 302.378 2.180 10 0 DEAERO [NH3+][C@H]1CCCO[C@H]1c1ccc(I)cc1 ZINC000218132082 356273504 /nfs/dbraw/zinc/27/35/04/356273504.db2.gz MBUMLEVSISVLPF-QWRGUYRKSA-N 1 0 303.143 2.470 10 0 DEAERO Cc1cc(F)cc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000080717423 192185641 /nfs/dbraw/zinc/18/56/41/192185641.db2.gz ZQQCYJCDOSQJPG-ZDUSSCGKSA-N 1 0 314.426 2.287 10 0 DEAERO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000226465000 356278691 /nfs/dbraw/zinc/27/86/91/356278691.db2.gz QAQPQPGUBANCTR-LLVKDONJSA-N 1 0 320.817 2.242 10 0 DEAERO [NH3+]Cc1nc(OC(F)(F)F)ccc1I ZINC000238594616 356304013 /nfs/dbraw/zinc/30/40/13/356304013.db2.gz NOLNOVFBHDEBNH-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO [NH3+]Cc1c(I)cncc1OC(F)(F)F ZINC000238613708 356304455 /nfs/dbraw/zinc/30/44/55/356304455.db2.gz PTODKWFFUDGTKD-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO O=C(Nc1cc2c(cc1Cl)NC(=O)C2)[C@@H]1CCCCC[NH2+]1 ZINC000080994850 192209933 /nfs/dbraw/zinc/20/99/33/192209933.db2.gz RLOJTTFIXZEVBE-NSHDSACASA-N 1 0 307.781 2.305 10 0 DEAERO C[C@@H]([NH2+]CC1(N(C)C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400512740 283158257 /nfs/dbraw/zinc/15/82/57/283158257.db2.gz MAFNHFLMXBKEDH-ZIAGYGMSSA-N 1 0 311.470 2.316 10 0 DEAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400808104 283158917 /nfs/dbraw/zinc/15/89/17/283158917.db2.gz WZXRKPQNJFPJFP-SOUVJXGZSA-N 1 0 311.470 2.458 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400394486 283156727 /nfs/dbraw/zinc/15/67/27/283156727.db2.gz JBZZOUQNXOVYLT-ZNMIVQPWSA-N 1 0 323.481 2.458 10 0 DEAERO C[C@@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400499451 283157517 /nfs/dbraw/zinc/15/75/17/283157517.db2.gz ICXWIJSDHBPEAF-CHWSQXEVSA-N 1 0 308.426 2.155 10 0 DEAERO Cc1c([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)c2ccccc2C)cnn1C ZINC000328618757 356460909 /nfs/dbraw/zinc/46/09/09/356460909.db2.gz FAWRPXQQGNLPJY-OKZBNKHCSA-N 1 0 315.417 2.190 10 0 DEAERO CN1CCO[C@H](CN(Cc2nc3c(s2)CCC3)CC2CC2)C1 ZINC000328626852 356463149 /nfs/dbraw/zinc/46/31/49/356463149.db2.gz FNISFWHTWYSVHU-AWEZNQCLSA-N 1 0 321.490 2.174 10 0 DEAERO C[C@@H]1C[C@@H](Nc2cc(N[C@@H]3CCCOC3)ncn2)C[C@H](C)O1 ZINC000328626872 356463394 /nfs/dbraw/zinc/46/33/94/356463394.db2.gz FOEYKKSPBYKWFW-XJFOESAGSA-N 1 0 306.410 2.435 10 0 DEAERO CC[NH+](CC)CCSCC(=O)Nc1ncc(C(C)=O)s1 ZINC000081411036 192261267 /nfs/dbraw/zinc/26/12/67/192261267.db2.gz MOZWJYMGDMXJNB-UHFFFAOYSA-N 1 0 315.464 2.359 10 0 DEAERO Cc1nnc(N2C[C@@H](F)C[C@H]2C[NH2+][C@H](C)CCc2ccco2)o1 ZINC000328636578 356464952 /nfs/dbraw/zinc/46/49/52/356464952.db2.gz OCRJWJLTCNGOMK-XBFCOCLRSA-N 1 0 322.384 2.499 10 0 DEAERO CCc1ccc(C(=O)N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000328651460 356466883 /nfs/dbraw/zinc/46/68/83/356466883.db2.gz VXQKIISTBQXZLI-HNNXBMFYSA-N 1 0 306.406 2.025 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCn2cnnc2C1 ZINC000081531078 192284794 /nfs/dbraw/zinc/28/47/94/192284794.db2.gz MGZYNJPYAMJEJU-TVQRCGJNSA-N 1 0 311.842 2.287 10 0 DEAERO CCOC[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000081499995 192274878 /nfs/dbraw/zinc/27/48/78/192274878.db2.gz IZQJVULRIMPVFB-HNSVSWJLSA-N 1 0 309.454 2.070 10 0 DEAERO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000081623675 192303626 /nfs/dbraw/zinc/30/36/26/192303626.db2.gz ATWOIOKDMGFMSR-GJZGRUSLSA-N 1 0 308.447 2.392 10 0 DEAERO CC(C)CC[C@](C)(O)CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085423356 192502957 /nfs/dbraw/zinc/50/29/57/192502957.db2.gz MQBUKTOVVHEMAK-PBHICJAKSA-N 1 0 315.502 2.449 10 0 DEAERO COC[C@](C)(CCO)[NH2+]CCCOc1cccc(Cl)c1 ZINC000085904274 192538488 /nfs/dbraw/zinc/53/84/88/192538488.db2.gz SHOSWMMFAQIZIG-HNNXBMFYSA-N 1 0 301.814 2.486 10 0 DEAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000086026925 192545541 /nfs/dbraw/zinc/54/55/41/192545541.db2.gz CSIFYPNEGLGPBQ-JOYOIKCWSA-N 1 0 308.230 2.298 10 0 DEAERO C[NH2+][C@@H](c1ccc2c(c1)CC(C)(C)O2)[C@H]1CCS(=O)(=O)C1 ZINC000086022660 192545935 /nfs/dbraw/zinc/54/59/35/192545935.db2.gz MDFLKMVDPDMXAU-WFASDCNBSA-N 1 0 309.431 2.095 10 0 DEAERO CCC1(CC)CN([C@@H]2CCCS(=O)(=O)C2)[C@@H](C(C)C)C[NH2+]1 ZINC000086266050 192557910 /nfs/dbraw/zinc/55/79/10/192557910.db2.gz ZXBIPNCZVQIZCS-HUUCEWRRSA-N 1 0 316.511 2.052 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382429890 356674863 /nfs/dbraw/zinc/67/48/63/356674863.db2.gz PCAPBEKUXRXEFC-QWRGUYRKSA-N 1 0 302.827 2.054 10 0 DEAERO C[NH2+]C[C@@H]1OCCN(C2CC2)[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086585011 192585143 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ZINC000086972811 192604395 /nfs/dbraw/zinc/60/43/95/192604395.db2.gz WJFWEVFDMOAIOM-LBPRGKRZSA-N 1 0 315.435 2.179 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000578652002 356851604 /nfs/dbraw/zinc/85/16/04/356851604.db2.gz ULBOMWYTUQRHCY-AWEZNQCLSA-N 1 0 314.476 2.075 10 0 DEAERO CCCCN(CC)S(=O)(=O)c1cc(C[NH2+]C)ccc1OC ZINC000088916311 192656156 /nfs/dbraw/zinc/65/61/56/192656156.db2.gz FRHWHBCZFMGJTL-UHFFFAOYSA-N 1 0 314.451 2.225 10 0 DEAERO CCN(C1CC1)S(=O)(=O)c1cc(C[NH2+]C)ccc1Cl ZINC000088940840 192661341 /nfs/dbraw/zinc/66/13/41/192661341.db2.gz ABOMAMYTESZPOR-UHFFFAOYSA-N 1 0 302.827 2.232 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)c1c[nH]c2cc(Cl)ccc12 ZINC000588927428 357435529 /nfs/dbraw/zinc/43/55/29/357435529.db2.gz WUJLUMSPPUWWNV-UHFFFAOYSA-N 1 0 314.776 2.480 10 0 DEAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1N(C)C ZINC000179403661 199029376 /nfs/dbraw/zinc/02/93/76/199029376.db2.gz SPOKPVFTGUVNMX-HOTGVXAUSA-N 1 0 305.466 2.250 10 0 DEAERO 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SAKYRSPMKDEGHS-CQSZACIVSA-N 1 0 319.449 2.438 10 0 DEAERO CC(C)OCCCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180462132 199162055 /nfs/dbraw/zinc/16/20/55/199162055.db2.gz CEBNWAURJFVNMW-ZDUSSCGKSA-N 1 0 314.451 2.190 10 0 DEAERO Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)c1F ZINC000180408474 199155389 /nfs/dbraw/zinc/15/53/89/199155389.db2.gz YKQVPLIZBLFRSJ-CYBMUJFWSA-N 1 0 321.396 2.063 10 0 DEAERO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000180490601 199166425 /nfs/dbraw/zinc/16/64/25/199166425.db2.gz RJQNBVXBHLPOOF-KSSFIOAISA-N 1 0 314.433 2.162 10 0 DEAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccco2)ncn1 ZINC000180574769 199178676 /nfs/dbraw/zinc/17/86/76/199178676.db2.gz GDSMTAPEGZDSIR-OLZOCXBDSA-N 1 0 301.394 2.431 10 0 DEAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccco2)ncn1 ZINC000180574786 199178833 /nfs/dbraw/zinc/17/88/33/199178833.db2.gz GDSMTAPEGZDSIR-QWHCGFSZSA-N 1 0 301.394 2.431 10 0 DEAERO C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 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CC[NH2+][C@@H](Cc1c(Cl)c(CC)nn1CC)[C@H]1COCCO1 ZINC000089361267 192773575 /nfs/dbraw/zinc/77/35/75/192773575.db2.gz VSESTDBAXHAEHU-GXTWGEPZSA-N 1 0 315.845 2.055 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089456847 192793059 /nfs/dbraw/zinc/79/30/59/192793059.db2.gz KJKBROUQURJYHT-VXGBXAGGSA-N 1 0 310.360 2.179 10 0 DEAERO COC(=O)c1cc(CN2CC[NH+](CCCF)CC2)cs1 ZINC000599666715 359562698 /nfs/dbraw/zinc/56/26/98/359562698.db2.gz BRPRGEQXAQXHMD-UHFFFAOYSA-N 1 0 300.399 2.012 10 0 DEAERO [NH3+]Cc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)co1 ZINC000187672240 200142435 /nfs/dbraw/zinc/14/24/35/200142435.db2.gz DCXFNODOIGAOEA-CQSZACIVSA-N 1 0 314.341 2.444 10 0 DEAERO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000187731834 200150424 /nfs/dbraw/zinc/15/04/24/200150424.db2.gz GSJJIZUFKYCPHU-WFASDCNBSA-N 1 0 317.389 2.186 10 0 DEAERO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000187832044 200163136 /nfs/dbraw/zinc/16/31/36/200163136.db2.gz ALHTWARONYBQAR-LSDHHAIUSA-N 1 0 301.390 2.184 10 0 DEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1coc(C[NH3+])c1 ZINC000187884290 200171263 /nfs/dbraw/zinc/17/12/63/200171263.db2.gz HPPMNVJRDAMREJ-INIZCTEOSA-N 1 0 302.374 2.242 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000237549691 202279275 /nfs/dbraw/zinc/27/92/75/202279275.db2.gz LDWLBJXCXFMHFQ-LRDDRELGSA-N 1 0 315.417 2.092 10 0 DEAERO COCc1cccc(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000188226199 200212398 /nfs/dbraw/zinc/21/23/98/200212398.db2.gz NRRDTXAQYSLPEC-YOEHRIQHSA-N 1 0 304.434 2.317 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000188491095 200255591 /nfs/dbraw/zinc/25/55/91/200255591.db2.gz GZMRMABZSWHGMO-KRWDZBQOSA-N 1 0 321.465 2.167 10 0 DEAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188438876 200246331 /nfs/dbraw/zinc/24/63/31/200246331.db2.gz CDRLWHYOPYXQDG-LALPHHSUSA-N 1 0 304.438 2.246 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1C ZINC000188646770 200280410 /nfs/dbraw/zinc/28/04/10/200280410.db2.gz HICAZQLXUUOISK-YVEFUNNKSA-N 1 0 317.433 2.412 10 0 DEAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000601114886 359926445 /nfs/dbraw/zinc/92/64/45/359926445.db2.gz JPRBELZAVNPPAF-CQSZACIVSA-N 1 0 305.426 2.142 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000188934277 200324122 /nfs/dbraw/zinc/32/41/22/200324122.db2.gz JQCZVLFMCJFYHV-BBRMVZONSA-N 1 0 308.397 2.189 10 0 DEAERO CN1CCC[C@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189083478 200346052 /nfs/dbraw/zinc/34/60/52/200346052.db2.gz MCVQKHMNYJSESL-KRWDZBQOSA-N 1 0 302.397 2.254 10 0 DEAERO C[N@H+](CCNC(=O)Nc1ccc2nccn2c1)C1CCCC1 ZINC000606580213 361021827 /nfs/dbraw/zinc/02/18/27/361021827.db2.gz FHQQENUKIAKNAO-UHFFFAOYSA-N 1 0 301.394 2.330 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000193648338 201095215 /nfs/dbraw/zinc/09/52/15/201095215.db2.gz FOFNUMLELUMNAM-RISCZKNCSA-N 1 0 318.808 2.396 10 0 DEAERO Cc1ccc(Cl)cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000193734618 201113026 /nfs/dbraw/zinc/11/30/26/201113026.db2.gz WZXVZJJLUAPZAZ-UHFFFAOYSA-N 1 0 323.824 2.140 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1c1nc2cc(Br)ccc2[nH]1 ZINC000090472511 192924195 /nfs/dbraw/zinc/92/41/95/192924195.db2.gz BXXQOUQWRJOBGP-CABZTGNLSA-N 1 0 310.195 2.417 10 0 DEAERO C=Cn1cc(C[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)cn1 ZINC000193912344 201144188 /nfs/dbraw/zinc/14/41/88/201144188.db2.gz OIMARFXOKVBGAX-OAHLLOKOSA-N 1 0 300.410 2.104 10 0 DEAERO COC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc(Cl)cc1 ZINC000193957516 201153563 /nfs/dbraw/zinc/15/35/63/201153563.db2.gz INGMWVPMQDUHKV-CZUORRHYSA-N 1 0 312.841 2.338 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1nc2cccnc2s1 ZINC000193972250 201156707 /nfs/dbraw/zinc/15/67/07/201156707.db2.gz LKOFNHNLFRLFQP-LLVKDONJSA-N 1 0 304.419 2.248 10 0 DEAERO COC(=O)C(C)(C)[C@H]([NH2+]CCn1ccnc1)c1ccccc1 ZINC000611405440 361593351 /nfs/dbraw/zinc/59/33/51/361593351.db2.gz DQWMUMULKYHUEJ-OAHLLOKOSA-N 1 0 301.390 2.413 10 0 DEAERO CN(CC[NH+](C)C)C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000194719113 201276326 /nfs/dbraw/zinc/27/63/26/201276326.db2.gz BCIQVGVVRWIXLY-UHFFFAOYSA-N 1 0 306.740 2.488 10 0 DEAERO CC[NH2+]Cc1cccc(S[C@H](C)C(=O)NCCCOC)c1 ZINC000090871032 192940842 /nfs/dbraw/zinc/94/08/42/192940842.db2.gz GRUWZAHZTVPVPB-CYBMUJFWSA-N 1 0 310.463 2.429 10 0 DEAERO CCOc1cc(CN2CC[N@H+](CCOC)[C@@H](C)C2)ccc1OC ZINC000245722220 202541137 /nfs/dbraw/zinc/54/11/37/202541137.db2.gz ICKHSHZQWUOONV-HNNXBMFYSA-N 1 0 322.449 2.246 10 0 DEAERO O=C(C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCCCCC1 ZINC000120762436 283760518 /nfs/dbraw/zinc/76/05/18/283760518.db2.gz OLAYHUJEAAMBAA-DLBZAZTESA-N 1 0 308.466 2.405 10 0 DEAERO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000621769246 364538971 /nfs/dbraw/zinc/53/89/71/364538971.db2.gz ZSXMXYNVYBQTGQ-ONGXEEELSA-N 1 0 304.362 2.030 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CCc2cncc(C)n2)c2ccccc21 ZINC000621764563 364538979 /nfs/dbraw/zinc/53/89/79/364538979.db2.gz IIJSOHQCDRAITQ-KRWDZBQOSA-N 1 0 310.401 2.415 10 0 DEAERO NC(=O)c1cccc(C[NH2+][C@H]2CCCO[C@@H]2c2ccncc2)c1 ZINC000275426302 212325808 /nfs/dbraw/zinc/32/58/08/212325808.db2.gz DZMYKIXSTDWMNQ-DLBZAZTESA-N 1 0 311.385 2.190 10 0 DEAERO COc1cccc2c1N(C(=O)C[C@@H]1CSCC[NH2+]1)CCC2 ZINC000091137040 193003101 /nfs/dbraw/zinc/00/31/01/193003101.db2.gz UGGAHLALHQSKDN-CYBMUJFWSA-N 1 0 306.431 2.070 10 0 DEAERO CCC(=O)Nc1cccc(NC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000091138021 193003291 /nfs/dbraw/zinc/00/32/91/193003291.db2.gz JUTPNIJIVOOYGY-CYBMUJFWSA-N 1 0 307.419 2.069 10 0 DEAERO C[C@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Br)s1 ZINC000623713381 365141788 /nfs/dbraw/zinc/14/17/88/365141788.db2.gz ZNTYHROHAZZTRH-UWVGGRQHSA-N 1 0 319.268 2.492 10 0 DEAERO COc1cc(OC)c(C[C@@H](C)[NH2+]C2CCOCC2)c(OC)c1 ZINC000449469664 240565358 /nfs/dbraw/zinc/56/53/58/240565358.db2.gz UZOZIJUASGJIEF-GFCCVEGCSA-N 1 0 309.406 2.412 10 0 DEAERO CN(Cc1ccccc1Cl)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321131 193040106 /nfs/dbraw/zinc/04/01/06/193040106.db2.gz JQONNIRKAXATFZ-CYBMUJFWSA-N 1 0 311.857 2.404 10 0 DEAERO CC[NH+](CC)CCCNC(=O)c1ccc(Br)nc1 ZINC000091447004 193056653 /nfs/dbraw/zinc/05/66/53/193056653.db2.gz LLMDNJAIAWWAFA-UHFFFAOYSA-N 1 0 314.227 2.306 10 0 DEAERO CC[NH2+][C@H](Cc1csc(C)n1)[C@](C)(CC)N1CCOCC1 ZINC000091612921 193079462 /nfs/dbraw/zinc/07/94/62/193079462.db2.gz VOEUEMGMXZQUFF-CVEARBPZSA-N 1 0 311.495 2.473 10 0 DEAERO CC[C@](C)([C@H]([NH2+]C)c1cc(Cl)cnc1N)N1CCOCC1 ZINC000091612314 193079512 /nfs/dbraw/zinc/07/95/12/193079512.db2.gz PYGMOOMRUARWFY-UKRRQHHQSA-N 1 0 312.845 2.079 10 0 DEAERO Cc1cc([C@@H](C[NH3+])N2CCCOCC2)ccc1Br ZINC000091471077 193060286 /nfs/dbraw/zinc/06/02/86/193060286.db2.gz RYKMSLQMKVNHIX-CQSZACIVSA-N 1 0 313.239 2.480 10 0 DEAERO CSC1(C[NH3+])CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000091473278 193060995 /nfs/dbraw/zinc/06/09/95/193060995.db2.gz RLUFLBAVSUKAMS-UHFFFAOYSA-N 1 0 306.357 2.156 10 0 DEAERO Cc1nc(NC(=O)[C@@]2(C)CCC[NH2+]C2)ccc1Br ZINC000091507314 193066599 /nfs/dbraw/zinc/06/65/99/193066599.db2.gz DEHQNXNVTNEZMN-ZDUSSCGKSA-N 1 0 312.211 2.481 10 0 DEAERO [NH3+][C@@H](Cc1ccncc1Cl)C1(N2CCOCC2)CCCC1 ZINC000091642897 193084083 /nfs/dbraw/zinc/08/40/83/193084083.db2.gz YSXNTPQICCIAHN-HNNXBMFYSA-N 1 0 309.841 2.250 10 0 DEAERO c1ccc2sc(CNC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)nc2c1 ZINC000091668828 193087752 /nfs/dbraw/zinc/08/77/52/193087752.db2.gz VMEXGQDPHLBFGZ-OLZOCXBDSA-N 1 0 303.431 2.249 10 0 DEAERO c1ccc2c(c1)CC([NH2+]C[C@@H]1CN(Cc3ccncc3)CCO1)C2 ZINC000624265863 365361461 /nfs/dbraw/zinc/36/14/61/365361461.db2.gz AMXJDLYLHRWKSE-HXUWFJFHSA-N 1 0 323.440 2.039 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)[C@H]1CN(C)CCO1 ZINC000091717761 193097165 /nfs/dbraw/zinc/09/71/65/193097165.db2.gz NIZGCCCSJYSPOF-ZIAGYGMSSA-N 1 0 303.233 2.455 10 0 DEAERO CCC(CC)([C@@H](CCCS(C)(=O)=O)[NH2+]C)N1CCCC1 ZINC000091635238 193082515 /nfs/dbraw/zinc/08/25/15/193082515.db2.gz WGEHBTPSXYMRJC-CQSZACIVSA-N 1 0 304.500 2.054 10 0 DEAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)c1cccs1 ZINC000091852180 193117543 /nfs/dbraw/zinc/11/75/43/193117543.db2.gz UABRERZWIRFVBX-UHFFFAOYSA-N 1 0 302.465 2.419 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000091872662 193121244 /nfs/dbraw/zinc/12/12/44/193121244.db2.gz MRGFTCOOALSHIA-UHFFFAOYSA-N 1 0 316.854 2.491 10 0 DEAERO CC[NH2+]C1CCC(N(C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000091870815 193121316 /nfs/dbraw/zinc/12/13/16/193121316.db2.gz YHMBYHXWODQYIE-UHFFFAOYSA-N 1 0 310.463 2.447 10 0 DEAERO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)C[NH2+]1 ZINC000624406933 365413657 /nfs/dbraw/zinc/41/36/57/365413657.db2.gz PPVFKDIOMQKPJP-PSASIEDQSA-N 1 0 323.245 2.412 10 0 DEAERO [NH3+]CC1([C@H](O)c2ccccc2OC(F)(F)F)CCOCC1 ZINC000091912092 193124832 /nfs/dbraw/zinc/12/48/32/193124832.db2.gz RVYSVDCXSFDUCW-GFCCVEGCSA-N 1 0 305.296 2.374 10 0 DEAERO C[C@@](O)(c1ccccc1Br)C1(C[NH3+])CCOCC1 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c1cnn(Cc2cccc(-c3ccc(N4CC[NH2+]CC4)nc3)c2)c1 ZINC000629707860 367309863 /nfs/dbraw/zinc/30/98/63/367309863.db2.gz SYLJDCVFGYBBMS-UHFFFAOYSA-N 1 0 319.412 2.403 10 0 DEAERO CCOC(=O)c1csc(CCNc2cc[nH+]c(CC)c2)n1 ZINC000450475836 241877310 /nfs/dbraw/zinc/87/73/10/241877310.db2.gz KRYDAQRRSVIFIP-UHFFFAOYSA-N 1 0 305.403 2.354 10 0 DEAERO COc1nsc(C[NH2+][C@H](C)C2(CO)CC2)c1Br ZINC000630077132 367460234 /nfs/dbraw/zinc/46/02/34/367460234.db2.gz PDDGQCGNDJKIBG-SSDOTTSWSA-N 1 0 321.240 2.165 10 0 DEAERO c1c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605018 242007841 /nfs/dbraw/zinc/00/78/41/242007841.db2.gz YDAHVZBHLBPXMF-CRAIPNDOSA-N 1 0 315.465 2.137 10 0 DEAERO CO[C@H]1CN(Cc2cccc(Br)c2)[C@@](C)(C[NH3+])C1 ZINC000630366518 367613000 /nfs/dbraw/zinc/61/30/00/367613000.db2.gz LSUPSFVJDUDAMH-ZIAGYGMSSA-N 1 0 313.239 2.387 10 0 DEAERO CO[C@@H]1CN(Cc2ccc(Br)s2)[C@](C)(C[NH3+])C1 ZINC000630366568 367613378 /nfs/dbraw/zinc/61/33/78/367613378.db2.gz XYTJATZUKLBEQT-CABZTGNLSA-N 1 0 319.268 2.449 10 0 DEAERO CO[C@@H]1CN(Cc2cccc(Br)c2)[C@](C)(C[NH3+])C1 ZINC000630366515 367613844 /nfs/dbraw/zinc/61/38/44/367613844.db2.gz LSUPSFVJDUDAMH-KBPBESRZSA-N 1 0 313.239 2.387 10 0 DEAERO CO[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)[C@](C)(C[NH3+])C1 ZINC000630368441 367614422 /nfs/dbraw/zinc/61/44/22/367614422.db2.gz SDUYYRZKDDZVKD-HZMBPMFUSA-N 1 0 300.761 2.057 10 0 DEAERO CO[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)[C@@](C)(C[NH3+])C1 ZINC000630374010 367616595 /nfs/dbraw/zinc/61/65/95/367616595.db2.gz MESWWRSVLPWZOU-QMTHXVAHSA-N 1 0 300.761 2.057 10 0 DEAERO CO[C@H]1CN(C(=O)c2ccc(Cl)c(F)c2)[C@@](C)(C[NH3+])C1 ZINC000630376941 367618957 /nfs/dbraw/zinc/61/89/57/367618957.db2.gz YURDHHJGAPWPMH-QMTHXVAHSA-N 1 0 300.761 2.057 10 0 DEAERO c1c(C[C@H]2CCC[NH2+]C2)nnn1Cc1ccc2ncccc2c1 ZINC000630597926 367749309 /nfs/dbraw/zinc/74/93/09/367749309.db2.gz ODQDUIVXQKRXHT-CQSZACIVSA-N 1 0 307.401 2.417 10 0 DEAERO CC(C)[NH2+]Cc1cccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092113713 193161244 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[NH3+][C@H]1C=C[C@@H](C(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000092206760 193173495 /nfs/dbraw/zinc/17/34/95/193173495.db2.gz ATTVZJXHALUOOV-KOLCDFICSA-N 1 0 300.280 2.105 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)[C@@H]1Cc2ccccc2S1 ZINC000092232597 193177308 /nfs/dbraw/zinc/17/73/08/193177308.db2.gz IWZQCODMHTXPPK-GUTXKFCHSA-N 1 0 302.443 2.160 10 0 DEAERO c1cc(-c2noc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)n2)co1 ZINC000451508346 243046547 /nfs/dbraw/zinc/04/65/47/243046547.db2.gz WIKCPWBFWVOPNE-YUTCNCBUSA-N 1 0 301.346 2.377 10 0 DEAERO C[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC000631844100 368421307 /nfs/dbraw/zinc/42/13/07/368421307.db2.gz VBWQLNWPQQOBPJ-ZJUUUORDSA-N 1 0 316.232 2.459 10 0 DEAERO COCC[N@H+](CCC(N)=S)C[C@@H]1Cc2ccccc2S1 ZINC000092261107 193181973 /nfs/dbraw/zinc/18/19/73/193181973.db2.gz CEODYORGRXHJDZ-ZDUSSCGKSA-N 1 0 310.488 2.328 10 0 DEAERO [NH3+][C@H]1CCCCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000631960686 368468401 /nfs/dbraw/zinc/46/84/01/368468401.db2.gz VRJYALREHBUCDG-JTQLQIEISA-N 1 0 320.817 2.371 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000631977999 368477980 /nfs/dbraw/zinc/47/79/80/368477980.db2.gz YSTPUZPCCCRAEP-LBPRGKRZSA-N 1 0 316.492 2.421 10 0 DEAERO CCN(CC(C)(C)O)c1nc2sccn2c1C[NH2+]C1CC1 ZINC000092971228 193190381 /nfs/dbraw/zinc/19/03/81/193190381.db2.gz LZRZMGFYSJSYDH-UHFFFAOYSA-N 1 0 308.451 2.245 10 0 DEAERO Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)cc1 ZINC000261786558 203116015 /nfs/dbraw/zinc/11/60/15/203116015.db2.gz SLZRRSDRTUIGOL-YOEHRIQHSA-N 1 0 312.369 2.449 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)COC2 ZINC000093098845 193202661 /nfs/dbraw/zinc/20/26/61/193202661.db2.gz NSTGQMMXKGULMC-BLLLJJGKSA-N 1 0 301.390 2.417 10 0 DEAERO COCc1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000093150238 193208227 /nfs/dbraw/zinc/20/82/27/193208227.db2.gz QJBAQEOPMRSXMV-UHFFFAOYSA-N 1 0 312.417 2.335 10 0 DEAERO O=C(N[C@@H]1COc2ccccc2C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000246707012 284134073 /nfs/dbraw/zinc/13/40/73/284134073.db2.gz NNNIQZCKMPFLRY-OEAJRASXSA-N 1 0 300.402 2.027 10 0 DEAERO CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262452981 203299054 /nfs/dbraw/zinc/29/90/54/203299054.db2.gz ZTLJTKUHEOTMFT-RSUWNVLCSA-N 1 0 308.397 2.406 10 0 DEAERO O=S1(=O)CC[C@@H](C2(C[C@@H]3CSc4ccccc43)C[NH2+]C2)C1 ZINC000093195482 193214478 /nfs/dbraw/zinc/21/44/78/193214478.db2.gz HYVKHJVLYVQOKY-CHWSQXEVSA-N 1 0 323.483 2.290 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)Nc1cccc(-c2nnc(C)n2C)c1 ZINC000262522674 203318209 /nfs/dbraw/zinc/31/82/09/203318209.db2.gz FMAURVLZJTZLDF-INIZCTEOSA-N 1 0 301.394 2.247 10 0 DEAERO O=S1(=O)CC[C@H](C2(Cc3csc4ccccc34)C[NH2+]C2)C1 ZINC000093195406 193214784 /nfs/dbraw/zinc/21/47/84/193214784.db2.gz WWOQRJYOPRVPEP-ZDUSSCGKSA-N 1 0 321.467 2.468 10 0 DEAERO O=S1(=O)CC[C@H](C2(C[C@@H]3Cc4ccccc4S3)C[NH2+]C2)C1 ZINC000093195360 193214899 /nfs/dbraw/zinc/21/48/99/193214899.db2.gz DQVQNDURXQGYHH-KBPBESRZSA-N 1 0 323.483 2.118 10 0 DEAERO [NH3+][C@@H]1CC[C@H](Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000093218784 193218545 /nfs/dbraw/zinc/21/85/45/193218545.db2.gz IJMFPYRURVLFFP-SCZZXKLOSA-N 1 0 309.309 2.239 10 0 DEAERO C[NH2+][C@H](Cc1ccc(OC)c(Br)c1)C(OC)OC ZINC000093304948 193227857 /nfs/dbraw/zinc/22/78/57/193227857.db2.gz KSJGWWCVIDYZGZ-LLVKDONJSA-N 1 0 318.211 2.207 10 0 DEAERO Cn1cncc1[C@@H]1CNC(=[NH2+])N1c1ccccc1Br ZINC000093382749 193240441 /nfs/dbraw/zinc/24/04/41/193240441.db2.gz UJGFJDPPTZXOAN-LBPRGKRZSA-N 1 0 320.194 2.268 10 0 DEAERO C[C@H](Cc1cccs1)N(C)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000093292153 193225448 /nfs/dbraw/zinc/22/54/48/193225448.db2.gz TVEDRMBTTSCVIJ-GFCCVEGCSA-N 1 0 324.471 2.459 10 0 DEAERO Cc1cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)ccc1-n1cncn1 ZINC000093437291 193251163 /nfs/dbraw/zinc/25/11/63/193251163.db2.gz SZSGBVQARXNBTF-DOTOQJQBSA-N 1 0 311.433 2.244 10 0 DEAERO Cc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccc1-n1cncn1 ZINC000093437290 193251715 /nfs/dbraw/zinc/25/17/15/193251715.db2.gz SZSGBVQARXNBTF-RDJZCZTQSA-N 1 0 311.433 2.244 10 0 DEAERO CC(C)(C[NH2+]Cc1ccccc1N1CCCC1)S(C)(=O)=O ZINC000093520403 193263113 /nfs/dbraw/zinc/26/31/13/193263113.db2.gz TYKGVWGAIOCJOI-UHFFFAOYSA-N 1 0 310.463 2.200 10 0 DEAERO CN[C@]1(C(=O)OC)CCC[C@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596100 193270660 /nfs/dbraw/zinc/27/06/60/193270660.db2.gz AXJVCBISPJOTNW-WCQYABFASA-N 1 0 310.360 2.192 10 0 DEAERO CCC[NH2+][C@@]1(CO)CCC[C@@H]1CCSc1nnc(C)n1C ZINC000093622280 193275706 /nfs/dbraw/zinc/27/57/06/193275706.db2.gz GPSGUNOBWOXANS-UKRRQHHQSA-N 1 0 312.483 2.137 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1cccc(OC)c1 ZINC000093628990 193275920 /nfs/dbraw/zinc/27/59/20/193275920.db2.gz VGGAEOLHCFHOAI-BLLLJJGKSA-N 1 0 308.447 2.421 10 0 DEAERO CC1(C)CCC([NH3+])(C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093699227 193293349 /nfs/dbraw/zinc/29/33/49/193293349.db2.gz SIZQQTDMMLTNGD-CYBMUJFWSA-N 1 0 302.484 2.346 10 0 DEAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000093700275 193294202 /nfs/dbraw/zinc/29/42/02/193294202.db2.gz ULEBUHQJMRRBLH-DOMZBBRYSA-N 1 0 314.426 2.148 10 0 DEAERO CC[NH2+][C@@H]1CC[C@H](C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@@H]1C ZINC000093702371 193295956 /nfs/dbraw/zinc/29/59/56/193295956.db2.gz VYCGAIGXSDEYLR-BYNSBNAKSA-N 1 0 302.484 2.072 10 0 DEAERO CCC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]([N@H+](CC)[C@@H](C)COC)C1 ZINC000093751443 193300708 /nfs/dbraw/zinc/30/07/08/193300708.db2.gz YYMWCFACUIZHEF-SQWLQELKSA-N 1 0 300.443 2.109 10 0 DEAERO Cc1nn([C@H]2CCC[C@@]([NH2+]C3CC3)(C(N)=O)C2)c(C)c1Cl ZINC000093759587 193301552 /nfs/dbraw/zinc/30/15/52/193301552.db2.gz BLUVUUNMEDRXIG-WFASDCNBSA-N 1 0 310.829 2.245 10 0 DEAERO NC(=O)[C@]1([NH3+])CCC[C@@H](Oc2ccccc2C(F)(F)F)C1 ZINC000093773818 193304421 /nfs/dbraw/zinc/30/44/21/193304421.db2.gz RGTHJCFHKYZNIS-RNCFNFMXSA-N 1 0 302.296 2.210 10 0 DEAERO Cc1ccnc(S[C@@H]2CCC[C@@]([NH2+]C(C)C)(C(N)=O)C2)n1 ZINC000093779126 193305790 /nfs/dbraw/zinc/30/57/90/193305790.db2.gz VPPJGJHZCBGISB-DOMZBBRYSA-N 1 0 308.451 2.042 10 0 DEAERO C[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000094009079 193338465 /nfs/dbraw/zinc/33/84/65/193338465.db2.gz MQQHZLQQZGIFDK-UHOFOFEASA-N 1 0 310.825 2.472 10 0 DEAERO O=C(N[C@H]1CCCOC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000245417597 284173984 /nfs/dbraw/zinc/17/39/84/284173984.db2.gz ADUVMAYEDYFQMM-IRXDYDNUSA-N 1 0 302.418 2.336 10 0 DEAERO COC(=O)[C@]1(NC(C)C)CC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093831809 193314657 /nfs/dbraw/zinc/31/46/57/193314657.db2.gz JVGFNFGBFGPPJK-AAEUAGOBSA-N 1 0 310.360 2.333 10 0 DEAERO CCCN[C@]1(C(=O)OC)CC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093831862 193314697 /nfs/dbraw/zinc/31/46/97/193314697.db2.gz GOLDLXKAIDQKKJ-WCQYABFASA-N 1 0 310.360 2.335 10 0 DEAERO CCC[NH2+][C@]1(CO)CC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093859909 193319509 /nfs/dbraw/zinc/31/95/09/193319509.db2.gz FHKJIVYBEYGGKL-IUODEOHRSA-N 1 0 306.435 2.105 10 0 DEAERO CCC[NH2+][C@@]1(CO)CC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093859910 193319973 /nfs/dbraw/zinc/31/99/73/193319973.db2.gz FHKJIVYBEYGGKL-DOMZBBRYSA-N 1 0 306.435 2.105 10 0 DEAERO CC[NH2+][C@H](c1cc(Cl)cnc1N)[C@@H]1CN(C(C)C)CCO1 ZINC000093927473 193329309 /nfs/dbraw/zinc/32/93/09/193329309.db2.gz LCMUFXJPJOLWBH-UONOGXRCSA-N 1 0 312.845 2.077 10 0 DEAERO CC[NH2+][C@@H](Cc1ccncc1Cl)[C@@H]1CN(C(C)C)CCO1 ZINC000093927573 193329492 /nfs/dbraw/zinc/32/94/92/193329492.db2.gz RFDFYICFPMLXFY-HOTGVXAUSA-N 1 0 311.857 2.365 10 0 DEAERO [NH3+]C1(CC(=O)NCc2cc(Br)ccc2F)CCC1 ZINC000094295158 193356546 /nfs/dbraw/zinc/35/65/46/193356546.db2.gz RMHMTCLFFHJECZ-UHFFFAOYSA-N 1 0 315.186 2.476 10 0 DEAERO C[NH2+][C@@H](CN(C)CCS(C)(=O)=O)c1ccc(C(C)C)cc1 ZINC000094298278 193357740 /nfs/dbraw/zinc/35/77/40/193357740.db2.gz BRTRGOQREVSPLF-INIZCTEOSA-N 1 0 312.479 2.047 10 0 DEAERO CC1(C)CCC[C@@H]1NS(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000094330101 193359097 /nfs/dbraw/zinc/35/90/97/193359097.db2.gz MXMYNPFBXMMGRT-HNNXBMFYSA-N 1 0 308.447 2.189 10 0 DEAERO [NH3+]Cc1ccc(C(F)(F)F)nc1N1CCO[C@H]2CCC[C@@H]21 ZINC000094334239 193360229 /nfs/dbraw/zinc/36/02/29/193360229.db2.gz SZASFRRNBSNXEG-QWRGUYRKSA-N 1 0 301.312 2.317 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000094345058 193362908 /nfs/dbraw/zinc/36/29/08/193362908.db2.gz QNLCFNUNMOUSRI-NTSWFWBYSA-N 1 0 308.250 2.110 10 0 DEAERO CC[C@@H](Oc1c(F)cc(C[NH2+]C(C)(C)C)cc1F)C(N)=O ZINC000094347863 193363585 /nfs/dbraw/zinc/36/35/85/193363585.db2.gz NVBHHAAVBAVUFK-GFCCVEGCSA-N 1 0 300.349 2.496 10 0 DEAERO CC[C@H](C)NC(=O)COc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350322 193363703 /nfs/dbraw/zinc/36/37/03/193363703.db2.gz NZFNZKRPMUSIMP-UWVGGRQHSA-N 1 0 300.349 2.148 10 0 DEAERO CC(C)CCNC(=O)COc1c(F)cc(CC[NH3+])cc1F ZINC000094349803 193363738 /nfs/dbraw/zinc/36/37/38/193363738.db2.gz XDOLVZRNEBXGLK-UHFFFAOYSA-N 1 0 300.349 2.007 10 0 DEAERO CCNC(=O)CCOc1c(F)cc(C[C@H]([NH3+])CC)cc1F ZINC000094350713 193363949 /nfs/dbraw/zinc/36/39/49/193363949.db2.gz FUFJFWBNTGUPGV-LLVKDONJSA-N 1 0 300.349 2.150 10 0 DEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)c1ccc(F)cn1 ZINC000094048077 193341504 /nfs/dbraw/zinc/34/15/04/193341504.db2.gz UPUTZMKSSVXMMV-CYBMUJFWSA-N 1 0 302.415 2.476 10 0 DEAERO CC[NH2+][C@H](c1cc(C)c(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000094077966 193344173 /nfs/dbraw/zinc/34/41/73/193344173.db2.gz ZFQRTMAGRWTXCM-HZMBPMFUSA-N 1 0 303.374 2.359 10 0 DEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3ncc(Cl)cc3Cl)no2)C1 ZINC000094199133 193348881 /nfs/dbraw/zinc/34/88/81/193348881.db2.gz ZISZCJGBXPBJKI-APPZFPTMSA-N 1 0 315.160 2.488 10 0 DEAERO CC(C)(C)[NH2+]CC[C@](C)(O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094645111 193389376 /nfs/dbraw/zinc/38/93/76/193389376.db2.gz XGEIIJAGYGTCPK-IPYPFGDCSA-N 1 0 305.484 2.119 10 0 DEAERO COC(=O)C[C@@H](NC(=O)[C@H](C[NH3+])CC(C)C)c1cccs1 ZINC000094697889 193391275 /nfs/dbraw/zinc/39/12/75/193391275.db2.gz YYRXMAPNECZSLF-NWDGAFQWSA-N 1 0 312.435 2.090 10 0 DEAERO CC(C)[N@H+](CCC(N)=S)[C@H]1CCOC2(CCOCC2)C1 ZINC000094375917 193367303 /nfs/dbraw/zinc/36/73/03/193367303.db2.gz QQFBDZOELHSYGQ-ZDUSSCGKSA-N 1 0 300.468 2.101 10 0 DEAERO C[C@H](C[N@H+](C)[C@@H]1CCOC2(CCSCC2)C1)C(N)=S ZINC000094375899 193367357 /nfs/dbraw/zinc/36/73/57/193367357.db2.gz YXCKRJUGTBMOHJ-VXGBXAGGSA-N 1 0 302.509 2.285 10 0 DEAERO CCOC(=O)C1CC[NH+]([C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094410478 193367589 /nfs/dbraw/zinc/36/75/89/193367589.db2.gz XRGWIRQLTBNQLL-GDBMZVCRSA-N 1 0 313.463 2.316 10 0 DEAERO NC(=S)c1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000094439551 193369302 /nfs/dbraw/zinc/36/93/02/193369302.db2.gz OAOVXECHKVFOLI-CQSZACIVSA-N 1 0 307.438 2.130 10 0 DEAERO CCOC(=O)C[C@@]1([NH+]2CCN(C)CC2)CSCCC1(C)C ZINC000094485594 193372882 /nfs/dbraw/zinc/37/28/82/193372882.db2.gz HLISKKTWJKWPGD-MRXNPFEDSA-N 1 0 314.495 2.089 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCCS[C@H]2C)CC1 ZINC000094477683 193373085 /nfs/dbraw/zinc/37/30/85/193373085.db2.gz ILUGPMZFJNBJTL-JSGCOSHPSA-N 1 0 320.524 2.064 10 0 DEAERO CC[NH2+][C@H](Cc1c(Cl)c(CC)nn1C)[C@H]1CSCCO1 ZINC000094503784 193374253 /nfs/dbraw/zinc/37/42/53/193374253.db2.gz ZXUFNOJLFZGWEN-DGCLKSJQSA-N 1 0 317.886 2.289 10 0 DEAERO CCc1nn(CC)c(C[C@@H]([NH3+])[C@@H]2CSCCO2)c1Cl ZINC000094502677 193374836 /nfs/dbraw/zinc/37/48/36/193374836.db2.gz UIJARIOTKYHEKA-SKDRFNHKSA-N 1 0 303.859 2.121 10 0 DEAERO CCOC(=O)COC[C@H]([NH3+])c1cc(C)c(Br)s1 ZINC000094539544 193378117 /nfs/dbraw/zinc/37/81/17/193378117.db2.gz AIECTXIZXGAXGZ-QMMMGPOBSA-N 1 0 322.224 2.399 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000094549355 193378984 /nfs/dbraw/zinc/37/89/84/193378984.db2.gz DAQTWNXJLIMWGN-GWCFXTLKSA-N 1 0 300.324 2.444 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)c(Br)c1 ZINC000094562719 193379765 /nfs/dbraw/zinc/37/97/65/193379765.db2.gz JCRVORNUHLLVEU-BXKDBHETSA-N 1 0 313.195 2.202 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc(F)cc2Br)O1 ZINC000094564933 193380801 /nfs/dbraw/zinc/38/08/01/193380801.db2.gz RPLOJEFNQHTAFQ-GZMMTYOYSA-N 1 0 317.158 2.033 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)Nc1nc2c(Br)cccn2n1 ZINC000094604223 193383613 /nfs/dbraw/zinc/38/36/13/193383613.db2.gz JRWIIGOHJHRGOC-JTQLQIEISA-N 1 0 324.226 2.388 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNc2nc3ccc(Br)cn3n2)C1 ZINC000094603154 193383619 /nfs/dbraw/zinc/38/36/19/193383619.db2.gz CWFYFJGKNWAKCO-JTQLQIEISA-N 1 0 324.226 2.246 10 0 DEAERO Brc1ccc2nc(N[C@H]3CCCC[NH2+]C3)nn2c1 ZINC000094608327 193384381 /nfs/dbraw/zinc/38/43/81/193384381.db2.gz QICQQILALVFASS-JTQLQIEISA-N 1 0 310.199 2.046 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1nc2ccc(Br)cn2n1 ZINC000094607983 193384683 /nfs/dbraw/zinc/38/46/83/193384683.db2.gz YPWRAIDNWHOYOJ-KOLCDFICSA-N 1 0 324.226 2.198 10 0 DEAERO C[C@H]1CCCN(c2nc3c(Br)cccn3n2)[C@@H]1C[NH3+] ZINC000094608447 193384711 /nfs/dbraw/zinc/38/47/11/193384711.db2.gz PGEBMVVMQKJQEN-GXSJLCMTSA-N 1 0 324.226 2.055 10 0 DEAERO COc1ccc(CS(=O)(=O)c2cccc(F)c2)cc1C[NH3+] ZINC000094627236 193385054 /nfs/dbraw/zinc/38/50/54/193385054.db2.gz FZRRGOVCFCWSBO-UHFFFAOYSA-N 1 0 309.362 2.267 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@]2(C)CCCO2)c1Br ZINC000094782758 193397871 /nfs/dbraw/zinc/39/78/71/193397871.db2.gz IKYXGGPJHULOQV-YPMHNXCESA-N 1 0 316.243 2.184 10 0 DEAERO Cc1sc2[nH]c(C[NH2+]C[C@@]3(C)CCCO3)nc(=O)c2c1C ZINC000094801237 193399469 /nfs/dbraw/zinc/39/94/69/193399469.db2.gz KVIMHDAASVPVKS-OAHLLOKOSA-N 1 0 307.419 2.260 10 0 DEAERO O=C([C@H]1Cc2ccccc2O1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171584002 296153834 /nfs/dbraw/zinc/15/38/34/296153834.db2.gz HYUOQJGVPIHAEQ-SJLPKXTDSA-N 1 0 314.429 2.467 10 0 DEAERO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000453355047 245092476 /nfs/dbraw/zinc/09/24/76/245092476.db2.gz HFKDGSRGIOYKCO-DZJNRPSUSA-N 1 0 315.461 2.141 10 0 DEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)c1cc(C)nn1CC ZINC000097217474 193693705 /nfs/dbraw/zinc/69/37/05/193693705.db2.gz AFTGDMKGRQMTQL-CQSZACIVSA-N 1 0 315.483 2.467 10 0 DEAERO COC[C@H](C)C[C@@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000097278630 193703719 /nfs/dbraw/zinc/70/37/19/193703719.db2.gz OVECUCIHCJXQMT-PSASIEDQSA-N 1 0 304.232 2.033 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(N(C)C)nc2)CC[N@@H+]1C ZINC000266361452 205293381 /nfs/dbraw/zinc/29/33/81/205293381.db2.gz JGLWMKHUFHBHGT-TZMCWYRMSA-N 1 0 305.426 2.094 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(N(C)C)nc2)CC[N@@H+]1C ZINC000266361449 205293629 /nfs/dbraw/zinc/29/36/29/205293629.db2.gz JGLWMKHUFHBHGT-GXTWGEPZSA-N 1 0 305.426 2.094 10 0 DEAERO Cc1ccc(Br)c(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000161254146 197478887 /nfs/dbraw/zinc/47/88/87/197478887.db2.gz KXZIKYQMGHMEEL-QWRGUYRKSA-N 1 0 309.207 2.049 10 0 DEAERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000019899853 182161765 /nfs/dbraw/zinc/16/17/65/182161765.db2.gz XFIWQGRZVNKBAC-CABZTGNLSA-N 1 0 318.236 2.287 10 0 DEAERO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(N)=S)C1 ZINC000020007070 182176977 /nfs/dbraw/zinc/17/69/77/182176977.db2.gz QMLSUTAKMZUWSK-LBPRGKRZSA-N 1 0 305.447 2.381 10 0 DEAERO CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000020189246 182195481 /nfs/dbraw/zinc/19/54/81/182195481.db2.gz AQWSWBCADPDMPS-UHFFFAOYSA-N 1 0 308.378 2.500 10 0 DEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N[C@H](C)c1ccccc1 ZINC000020189406 182195667 /nfs/dbraw/zinc/19/56/67/182195667.db2.gz BWCNUYBGNJCIJW-CYBMUJFWSA-N 1 0 304.415 2.493 10 0 DEAERO CSc1nc(N2CC[C@@H](c3ccccc3)C2)cc(NN)[nH+]1 ZINC000159953637 197376130 /nfs/dbraw/zinc/37/61/30/197376130.db2.gz WQBIKBBIZMUZFR-GFCCVEGCSA-N 1 0 301.419 2.478 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1ccc(C)c(Br)c1 ZINC000159923570 197373285 /nfs/dbraw/zinc/37/32/85/197373285.db2.gz HNINMKHWSPPVGW-GFCCVEGCSA-N 1 0 315.211 2.450 10 0 DEAERO COc1ccc(C[N@H+](C)CCn2ccnc2C)c(OC)c1OC ZINC000020600735 182236197 /nfs/dbraw/zinc/23/61/97/182236197.db2.gz LIBUJPCJFAAQCK-UHFFFAOYSA-N 1 0 319.405 2.349 10 0 DEAERO C[C@@H](C(=O)Nc1cccc(C(N)=S)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000021047044 182263487 /nfs/dbraw/zinc/26/34/87/182263487.db2.gz GVDTZMKLXJEFKU-NEPJUHHUSA-N 1 0 305.447 2.380 10 0 DEAERO C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000021008631 182259627 /nfs/dbraw/zinc/25/96/27/182259627.db2.gz YFYHGBZBCSJNHA-LBPRGKRZSA-N 1 0 302.399 2.285 10 0 DEAERO O=C1C[C@H]([NH2+]C2Cc3ccccc3C2)C(=O)N1c1ccc(F)cc1 ZINC000021344553 182272610 /nfs/dbraw/zinc/27/26/10/182272610.db2.gz JAHFEOVUHHMXDE-KRWDZBQOSA-N 1 0 324.355 2.215 10 0 DEAERO O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000021813353 182292961 /nfs/dbraw/zinc/29/29/61/182292961.db2.gz DRZCBRQSTLDXGF-LLVKDONJSA-N 1 0 324.324 2.079 10 0 DEAERO Cc1ccc(Cl)cc1NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000023249642 182354242 /nfs/dbraw/zinc/35/42/42/182354242.db2.gz QGAISVFBPMRVAJ-CQSZACIVSA-N 1 0 307.825 2.367 10 0 DEAERO C[NH+](C)CCCC(C)(C)NC(=O)c1ccnc2ccncc21 ZINC000456164176 246975985 /nfs/dbraw/zinc/97/59/85/246975985.db2.gz GYGFFJIMOLYKAI-UHFFFAOYSA-N 1 0 300.406 2.480 10 0 DEAERO C[C@@H](CNC(=O)c1nnc(Cl)s1)C[NH+]1CCCCC1 ZINC000159841541 197367805 /nfs/dbraw/zinc/36/78/05/197367805.db2.gz FFGWOEDOTANRAY-VIFPVBQESA-N 1 0 302.831 2.043 10 0 DEAERO Cc1sc2ncnc(NCCCN3CC[NH2+]CC3)c2c1C ZINC000035307822 182769239 /nfs/dbraw/zinc/76/92/39/182769239.db2.gz WEPHIJSKCBDHAD-UHFFFAOYSA-N 1 0 305.451 2.015 10 0 DEAERO CCN(CC)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000036091028 182797233 /nfs/dbraw/zinc/79/72/33/182797233.db2.gz JBICCEYNDYXTSC-CQSZACIVSA-N 1 0 323.437 2.358 10 0 DEAERO COc1cc(C[NH2+]C[C@H]2CCOC2)cc(Br)c1O ZINC000037738273 182921915 /nfs/dbraw/zinc/92/19/15/182921915.db2.gz XGKVBUOMJXRGGZ-SECBINFHSA-N 1 0 316.195 2.289 10 0 DEAERO C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459691811 248661968 /nfs/dbraw/zinc/66/19/68/248661968.db2.gz HABBMXZKQGTJSI-IXRCJPEJSA-N 1 0 318.465 2.224 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037819810 182929179 /nfs/dbraw/zinc/92/91/79/182929179.db2.gz QFBQJPSYEJUWNL-VIFPVBQESA-N 1 0 301.184 2.000 10 0 DEAERO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000467382174 248700147 /nfs/dbraw/zinc/70/01/47/248700147.db2.gz OVXJCGITDKOZDR-TUAOUCFPSA-N 1 0 300.424 2.132 10 0 DEAERO C[C@H]1C[NH+](CCC(=O)Nc2ccc(Cl)cc2N)C[C@H](C)O1 ZINC000040162753 183042820 /nfs/dbraw/zinc/04/28/20/183042820.db2.gz LEVSXJNLFRPMBH-QWRGUYRKSA-N 1 0 311.813 2.360 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@H]1CCC[NH2+]1)CCCC2 ZINC000040431668 183066261 /nfs/dbraw/zinc/06/62/61/183066261.db2.gz RHNVKJIMNOGQEE-SNVBAGLBSA-N 1 0 308.403 2.104 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cc(Br)ccc2C)C1 ZINC000040633596 183111435 /nfs/dbraw/zinc/11/14/35/183111435.db2.gz XXVXRRWKIDAVHI-PWSUYJOCSA-N 1 0 313.195 2.073 10 0 DEAERO CC(C)COC[C@@H](O)C[NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000040669130 183115676 /nfs/dbraw/zinc/11/56/76/183115676.db2.gz SCXUAQRUOKEXHI-IKGGRYGDSA-N 1 0 300.487 2.120 10 0 DEAERO COC(=O)C1(Nc2ccccc2Br)CC[NH2+]CC1 ZINC000040695352 183119339 /nfs/dbraw/zinc/11/93/39/183119339.db2.gz ZOBXBIZUVNUZPX-UHFFFAOYSA-N 1 0 313.195 2.156 10 0 DEAERO [NH3+][C@@H]1CCCN(C(=O)c2cc(Br)cn2C2CC2)C1 ZINC000041028032 183157800 /nfs/dbraw/zinc/15/78/00/183157800.db2.gz BGZHKNQDFQCXTM-SNVBAGLBSA-N 1 0 312.211 2.149 10 0 DEAERO C[NH+](C)CCCNC(=O)[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000041457270 183192423 /nfs/dbraw/zinc/19/24/23/183192423.db2.gz LTLYRVBDXVZHJE-QGZVFWFLSA-N 1 0 315.392 2.421 10 0 DEAERO CC(C)C[NH+](CCC(=O)N(C)CCC(N)=S)CC(C)C ZINC000042034083 183230007 /nfs/dbraw/zinc/23/00/07/183230007.db2.gz LZQRZWKQZZBNNJ-UHFFFAOYSA-N 1 0 301.500 2.125 10 0 DEAERO CC[NH+](CC)C[C@H](C)NC(=O)C1(C(N)=S)CCCCCC1 ZINC000041680969 183216009 /nfs/dbraw/zinc/21/60/09/183216009.db2.gz XZYJTWIHETYFRR-ZDUSSCGKSA-N 1 0 313.511 2.460 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]1)NCc1cc(Br)ccc1F ZINC000042171710 183238370 /nfs/dbraw/zinc/23/83/70/183238370.db2.gz MBDJAZAUBLOJAQ-LLVKDONJSA-N 1 0 315.186 2.347 10 0 DEAERO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Br)o1 ZINC000493636932 249346489 /nfs/dbraw/zinc/34/64/89/249346489.db2.gz ZYBBWBBQRQESJO-STUBTGCMSA-N 1 0 313.195 2.395 10 0 DEAERO CCCNC(=O)[C@H](C)Oc1c(Br)cccc1C[NH3+] ZINC000042411321 183264985 /nfs/dbraw/zinc/26/49/85/183264985.db2.gz HXDLXTFRPRTAJW-VIFPVBQESA-N 1 0 315.211 2.201 10 0 DEAERO Cc1nc(COc2c(Br)cccc2CC[NH3+])no1 ZINC000042412716 183266302 /nfs/dbraw/zinc/26/63/02/183266302.db2.gz AWNMROCPLVBJLL-UHFFFAOYSA-N 1 0 312.167 2.221 10 0 DEAERO COCCN(C)[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000042458656 183272960 /nfs/dbraw/zinc/27/29/60/183272960.db2.gz HNXMVLCLYNLPCA-LBPRGKRZSA-N 1 0 305.191 2.166 10 0 DEAERO CC(C)[N@H+](CCO)CCCC(=O)Nc1ccc(Cl)cc1N ZINC000042478098 183274602 /nfs/dbraw/zinc/27/46/02/183274602.db2.gz KWWJZGWCUMAAQG-UHFFFAOYSA-N 1 0 313.829 2.344 10 0 DEAERO CC(C)[N@H+](CCCO)CCCOc1ccc(C(N)=S)cc1 ZINC000042505989 183277902 /nfs/dbraw/zinc/27/79/02/183277902.db2.gz NLCVGBTWVGKIBA-UHFFFAOYSA-N 1 0 310.463 2.183 10 0 DEAERO COC[C@H](O)C[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000042514074 183278482 /nfs/dbraw/zinc/27/84/82/183278482.db2.gz BWBZLJRZLOAUQT-SNVBAGLBSA-N 1 0 306.175 2.027 10 0 DEAERO COc1ccc(CC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000042554462 183283898 /nfs/dbraw/zinc/28/38/98/183283898.db2.gz QGGBFNWQBOWCET-QGZVFWFLSA-N 1 0 304.434 2.474 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCN(C(C)=O)CC1 ZINC000042944505 183319649 /nfs/dbraw/zinc/31/96/49/183319649.db2.gz ATNXCCLUKLXFPZ-JKSUJKDBSA-N 1 0 309.841 2.283 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCCC[C@@H]1C(N)=O ZINC000042946467 183320582 /nfs/dbraw/zinc/32/05/82/183320582.db2.gz NRGSUZIVQQOQER-RBSFLKMASA-N 1 0 309.841 2.458 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1cccc(F)c1 ZINC000042974833 183325597 /nfs/dbraw/zinc/32/55/97/183325597.db2.gz KPNCCVJBURUQSO-GXFFZTMASA-N 1 0 308.382 2.062 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCC(CC(N)=O)CC1 ZINC000043015935 183327466 /nfs/dbraw/zinc/32/74/66/183327466.db2.gz XJBRPLZGDYKQTO-BZNIZROVSA-N 1 0 309.841 2.316 10 0 DEAERO CC(=O)N1CCCN([C@H](c2ccccc2Cl)[C@@H](C)[NH3+])CC1 ZINC000043052843 183332626 /nfs/dbraw/zinc/33/26/26/183332626.db2.gz ZEVIAEYBQVRAGK-WBMJQRKESA-N 1 0 309.841 2.283 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCC[C@@H]1C(=O)NC ZINC000043052322 183333051 /nfs/dbraw/zinc/33/30/51/183333051.db2.gz NJGGABSHIPYHST-RBSFLKMASA-N 1 0 309.841 2.329 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1sccc1C)N1CCC(C(=O)NC)CC1 ZINC000043248019 183346801 /nfs/dbraw/zinc/34/68/01/183346801.db2.gz MUXSEORDHDVPIF-KGLIPLIRSA-N 1 0 309.479 2.293 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(Cl)s1 ZINC000043258322 183348330 /nfs/dbraw/zinc/34/83/30/183348330.db2.gz NCNBILYEXAOGMP-RRAGMBSWSA-N 1 0 316.839 2.248 10 0 DEAERO [NH3+]C[C@H](c1ccc(Br)s1)N1CCCC[C@@H]1CO ZINC000043261299 183349103 /nfs/dbraw/zinc/34/91/03/183349103.db2.gz WENDTQMOQCAMAL-NXEZZACHSA-N 1 0 319.268 2.357 10 0 DEAERO [NH3+]C[C@@H](c1cc(Br)cs1)N1CCC(CO)CC1 ZINC000043285136 183350276 /nfs/dbraw/zinc/35/02/76/183350276.db2.gz BDGQIKRACZLTEO-NSHDSACASA-N 1 0 319.268 2.215 10 0 DEAERO COCCN(C)[C@@H](c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000043286637 183350798 /nfs/dbraw/zinc/35/07/98/183350798.db2.gz DTGNXDUSRJEZTE-LDYMZIIASA-N 1 0 307.257 2.477 10 0 DEAERO CCC[NH2+]Cc1c(C)nn(C)c1-n1ccc(C(F)(F)F)n1 ZINC000043298878 183351336 /nfs/dbraw/zinc/35/13/36/183351336.db2.gz PKVKGVMVCLZTML-UHFFFAOYSA-N 1 0 301.316 2.433 10 0 DEAERO CCC[NH2+][C@H](c1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043301240 183352553 /nfs/dbraw/zinc/35/25/53/183352553.db2.gz MCAYHRALHRHKHE-HZMBPMFUSA-N 1 0 303.374 2.440 10 0 DEAERO COc1ccc2ccccc2c1[C@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000043300091 183352559 /nfs/dbraw/zinc/35/25/59/183352559.db2.gz KBYFAIVAUSEYKZ-BLLLJJGKSA-N 1 0 305.399 2.283 10 0 DEAERO C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300258 183352591 /nfs/dbraw/zinc/35/25/91/183352591.db2.gz VQZGDMUGKLTQRL-ZYHUDNBSSA-N 1 0 318.236 2.144 10 0 DEAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043301290 183352721 /nfs/dbraw/zinc/35/27/21/183352721.db2.gz GWHAAWVRHCIKAB-HZMBPMFUSA-N 1 0 303.374 2.440 10 0 DEAERO Cc1ncsc1CCOc1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406994 183358943 /nfs/dbraw/zinc/35/89/43/183358943.db2.gz MTUCSLSMBUDKQZ-UHFFFAOYSA-N 1 0 302.403 2.241 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)CCO ZINC000043092352 183336198 /nfs/dbraw/zinc/33/61/98/183336198.db2.gz KOOFWOKNRLYBDR-OLZOCXBDSA-N 1 0 301.228 2.152 10 0 DEAERO CC[NH2+]Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000043478942 183365885 /nfs/dbraw/zinc/36/58/85/183365885.db2.gz XKSXVRNXLAKBEK-LLVKDONJSA-N 1 0 303.811 2.015 10 0 DEAERO NC(=[NH2+])c1cc2c(nc1-n1cc(Br)cn1)CCCC2 ZINC000043410478 183360329 /nfs/dbraw/zinc/36/03/29/183360329.db2.gz YRWQOPUMHZYOTA-UHFFFAOYSA-N 1 0 320.194 2.193 10 0 DEAERO C[NH2+]Cc1c(N2CCO[C@@H]3CCCC[C@@H]32)nc2sccn12 ZINC000043426697 183361744 /nfs/dbraw/zinc/36/17/44/183361744.db2.gz FHFRXNBQJFJITL-WCQYABFASA-N 1 0 306.435 2.263 10 0 DEAERO CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000044594556 183426239 /nfs/dbraw/zinc/42/62/39/183426239.db2.gz ONSYLFIXXSYOHC-GDBMZVCRSA-N 1 0 310.463 2.435 10 0 DEAERO CC[NH2+]CCN(C)Cc1cc(Br)ccc1OC ZINC000045147311 183484317 /nfs/dbraw/zinc/48/43/17/183484317.db2.gz YKCDOZDIYCXWMR-UHFFFAOYSA-N 1 0 301.228 2.499 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCC[C@H]1C1CCCC1 ZINC000045090161 183481010 /nfs/dbraw/zinc/48/10/10/183481010.db2.gz HJKFWZDUSPIOAV-HNNXBMFYSA-N 1 0 302.484 2.359 10 0 DEAERO CCc1c(C)[nH+]c2ccccc2c1N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284525822 218063938 /nfs/dbraw/zinc/06/39/38/218063938.db2.gz MCJRAMBYFDLRBB-SFHVURJKSA-N 1 0 323.400 2.322 10 0 DEAERO CC[NH2+][C@H](CSc1nnc(SC)s1)[C@@H]1CCOC1 ZINC000159468591 197355831 /nfs/dbraw/zinc/35/58/31/197355831.db2.gz QJAPNIKWWAVCCN-RKDXNWHRSA-N 1 0 305.494 2.367 10 0 DEAERO Cc1ccc(OCCCN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1C ZINC000105823876 194138898 /nfs/dbraw/zinc/13/88/98/194138898.db2.gz YYCQFOMMNUKDAK-QZTJIDSGSA-N 1 0 320.477 2.459 10 0 DEAERO CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000105852812 194146312 /nfs/dbraw/zinc/14/63/12/194146312.db2.gz GVAUMRZHBWMOMV-CVEARBPZSA-N 1 0 318.465 2.483 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)NCCC2=CCCCC2)c1 ZINC000105881349 194155849 /nfs/dbraw/zinc/15/58/49/194155849.db2.gz VJZWDOSZBLLPDA-OAHLLOKOSA-N 1 0 304.438 2.176 10 0 DEAERO FC(F)SCc1ccc(C[NH2+][C@@H]2CCc3ncnn3C2)o1 ZINC000105906379 194167347 /nfs/dbraw/zinc/16/73/47/194167347.db2.gz OPOAWYWKEZZUHF-SECBINFHSA-N 1 0 314.361 2.432 10 0 DEAERO COCC[N@@H+]1CCN(Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C ZINC000106106808 194186091 /nfs/dbraw/zinc/18/60/91/194186091.db2.gz RATVAUXQKNKAEO-ZDUSSCGKSA-N 1 0 322.840 2.140 10 0 DEAERO NNc1cc(N2CCN(c3ccccc3Cl)CC2)cc[nH+]1 ZINC000159411317 197351710 /nfs/dbraw/zinc/35/17/10/197351710.db2.gz CRJAIQHISVFWDE-UHFFFAOYSA-N 1 0 303.797 2.347 10 0 DEAERO CC[C@H]([NH3+])Cc1cccc(OCC(=O)NCC(F)(F)F)c1 ZINC000049310298 183724797 /nfs/dbraw/zinc/72/47/97/183724797.db2.gz RMBUPIHWRCCMAE-NSHDSACASA-N 1 0 304.312 2.024 10 0 DEAERO C[C@@H](NS(=O)(=O)C[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000049646084 183751782 /nfs/dbraw/zinc/75/17/82/183751782.db2.gz CQPDLCFEZYKKBH-ZWNOBZJWSA-N 1 0 302.827 2.072 10 0 DEAERO CCS(=O)(=O)NCCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000109324764 194256599 /nfs/dbraw/zinc/25/65/99/194256599.db2.gz IWEWOJJTQMSJAL-LLVKDONJSA-N 1 0 304.843 2.272 10 0 DEAERO O=C(c1ncncc1Cl)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000176157717 296307010 /nfs/dbraw/zinc/30/70/10/296307010.db2.gz WGMRMEBVMGEDKW-LBPRGKRZSA-N 1 0 308.813 2.221 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1ncnc2[nH]cnc21)c1cccnc1 ZINC000051036367 183811543 /nfs/dbraw/zinc/81/15/43/183811543.db2.gz SHABQOGTHXSOFY-CMPLNLGQSA-N 1 0 300.391 2.319 10 0 DEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000109463524 194265477 /nfs/dbraw/zinc/26/54/77/194265477.db2.gz QYDZWUMOTBJDOR-AWEZNQCLSA-N 1 0 311.495 2.166 10 0 DEAERO C[C@@H](C(N)=S)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000109471101 194267036 /nfs/dbraw/zinc/26/70/36/194267036.db2.gz LACFKBPCBMPRQR-JTQLQIEISA-N 1 0 306.460 2.093 10 0 DEAERO CCC[C@H](c1nc(-c2cnn(C)c2)cs1)N1CC[NH2+]CC1 ZINC000109472859 194267288 /nfs/dbraw/zinc/26/72/88/194267288.db2.gz NGIUODRSQPDQHD-CQSZACIVSA-N 1 0 305.451 2.290 10 0 DEAERO CCc1ccc(CN2CC[NH+]([C@H](CC)C(N)=S)CC2)cc1 ZINC000109469088 194267360 /nfs/dbraw/zinc/26/73/60/194267360.db2.gz KKXMWUIEADTXRB-MRXNPFEDSA-N 1 0 305.491 2.431 10 0 DEAERO [NH3+]Cc1ccc(CNS(=O)(=O)C2CCCCC2)c(F)c1 ZINC000109540539 194271590 /nfs/dbraw/zinc/27/15/90/194271590.db2.gz ZMRNBCHSWPVYKE-UHFFFAOYSA-N 1 0 300.399 2.037 10 0 DEAERO CC[NH2+]Cc1ccc(Br)cc1N(C)C[C@@H](C)O ZINC000051839238 183838630 /nfs/dbraw/zinc/83/86/30/183838630.db2.gz AOWYGZIZIINGKF-SNVBAGLBSA-N 1 0 301.228 2.376 10 0 DEAERO CN(Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H]1C[NH2+]CCO1 ZINC000159325568 197345994 /nfs/dbraw/zinc/34/59/94/197345994.db2.gz ZIQKDYBRADNTOH-ZDUSSCGKSA-N 1 0 306.303 2.265 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000110389907 194327260 /nfs/dbraw/zinc/32/72/60/194327260.db2.gz BHHHSAVGQBLITN-AWEZNQCLSA-N 1 0 310.463 2.403 10 0 DEAERO CCS(=O)(=O)c1ccc(N2CCC[C@@H]2C[NH2+]C(C)C)cc1 ZINC000053694152 183910302 /nfs/dbraw/zinc/91/03/02/183910302.db2.gz IINJEPREVGPFCE-OAHLLOKOSA-N 1 0 310.463 2.447 10 0 DEAERO CC(C)c1nccc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000110572437 194338769 /nfs/dbraw/zinc/33/87/69/194338769.db2.gz KDUSLKGCRCHVGD-UHFFFAOYSA-N 1 0 314.437 2.046 10 0 DEAERO Fc1c(F)c(F)c(OCC[NH2+]C[C@H]2CCOC2)c(F)c1F ZINC000053588838 183907306 /nfs/dbraw/zinc/90/73/06/183907306.db2.gz QJIIBHQXYOBBPW-SSDOTTSWSA-N 1 0 311.250 2.387 10 0 DEAERO C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(N)=S)c2)CC1 ZINC000110804654 194360181 /nfs/dbraw/zinc/36/01/81/194360181.db2.gz CFNXCLZTALEGPB-LBPRGKRZSA-N 1 0 305.447 2.381 10 0 DEAERO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000110822301 194360700 /nfs/dbraw/zinc/36/07/00/194360700.db2.gz IEXUVURJTLHFNV-NOZJJQNGSA-N 1 0 311.223 2.031 10 0 DEAERO C[C@H]1CCCN(S(=O)(=O)c2ccc(CC[NH3+])s2)CC1 ZINC000110816243 194361472 /nfs/dbraw/zinc/36/14/72/194361472.db2.gz PRNRQRAVZJZCKA-NSHDSACASA-N 1 0 302.465 2.060 10 0 DEAERO CN(CC(=O)Nc1cccc2c1N=S=N2)[C@@H]1CCC[NH2+]C1 ZINC000110929252 194371361 /nfs/dbraw/zinc/37/13/61/194371361.db2.gz OSCMPTRPYRNUHY-SNVBAGLBSA-N 1 0 305.407 2.035 10 0 DEAERO C[NH2+][C@@H](C)c1sc(N(CCCOC)CCOC)nc1C ZINC000054908024 183954561 /nfs/dbraw/zinc/95/45/61/183954561.db2.gz JHJNSRWARBAOLA-NSHDSACASA-N 1 0 301.456 2.221 10 0 DEAERO CN1C[C@H]([NH2+]Cc2cccc(F)c2Br)CCC1=O ZINC000156768627 197139524 /nfs/dbraw/zinc/13/95/24/197139524.db2.gz JIISKIQJRCJPRR-SNVBAGLBSA-N 1 0 315.186 2.299 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000111095805 194390829 /nfs/dbraw/zinc/39/08/29/194390829.db2.gz MDFSFVFZIOAHMK-ZNMIVQPWSA-N 1 0 308.447 2.121 10 0 DEAERO C[C@H](C(=O)Nc1ccc(Cl)c(N)c1)N(C)CCC[NH+](C)C ZINC000111131649 194394666 /nfs/dbraw/zinc/39/46/66/194394666.db2.gz BNMWVJUBJCMMNH-LLVKDONJSA-N 1 0 312.845 2.133 10 0 DEAERO CN(CCNc1ccccc1Br)CC[NH+](C)C ZINC000111150585 194396553 /nfs/dbraw/zinc/39/65/53/194396553.db2.gz MERWYAKJPBJQCJ-UHFFFAOYSA-N 1 0 300.244 2.354 10 0 DEAERO CN(CCNc1cccc(Br)c1)CC[NH+](C)C ZINC000111150680 194396932 /nfs/dbraw/zinc/39/69/32/194396932.db2.gz JBUDMBXGPBXCOV-UHFFFAOYSA-N 1 0 300.244 2.354 10 0 DEAERO O=C1CCCN1C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000127986998 296319290 /nfs/dbraw/zinc/31/92/90/296319290.db2.gz PMDHFXMTWKQMIT-DOTOQJQBSA-N 1 0 322.836 2.364 10 0 DEAERO CNC(=O)c1c(N)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000057402444 184037646 /nfs/dbraw/zinc/03/76/46/184037646.db2.gz BRHHIKYOEPEART-UHFFFAOYSA-N 1 0 301.415 2.248 10 0 DEAERO COCC[NH2+]Cc1sc(N(C)CCOC(C)C)nc1C ZINC000157735195 197211393 /nfs/dbraw/zinc/21/13/93/197211393.db2.gz VQFPKQXPFKYKDI-UHFFFAOYSA-N 1 0 301.456 2.049 10 0 DEAERO C[NH2+][C@@](C)(CCCSc1nc2cc(C)ccc2[nH]1)C(N)=O ZINC000061440996 184170975 /nfs/dbraw/zinc/17/09/75/184170975.db2.gz WGVICGBMBFZTST-HNNXBMFYSA-N 1 0 306.435 2.207 10 0 DEAERO CCCn1c(S[C@H](c2ccccc2C)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594846 184176449 /nfs/dbraw/zinc/17/64/49/184176449.db2.gz QFBFDALLPCRQOB-YPMHNXCESA-N 1 0 306.435 2.470 10 0 DEAERO CCCn1c(S[C@@H](c2cccc(C)c2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594815 184176515 /nfs/dbraw/zinc/17/65/15/184176515.db2.gz SNTDSJVFLZNNIJ-DGCLKSJQSA-N 1 0 306.435 2.470 10 0 DEAERO CCCn1c(S[C@H](c2ccc(F)cc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594946 184176573 /nfs/dbraw/zinc/17/65/73/184176573.db2.gz XGSHLGAKDSNSME-CABZTGNLSA-N 1 0 310.398 2.301 10 0 DEAERO C[C@@H](CCNS(=O)(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000061911515 184194784 /nfs/dbraw/zinc/19/47/84/184194784.db2.gz CJYFFXGVLVRAQZ-GJZGRUSLSA-N 1 0 310.463 2.099 10 0 DEAERO Cc1ccccc1[C@@H]([NH3+])CN1CCN(CC(F)(F)F)CC1 ZINC000061941108 184197616 /nfs/dbraw/zinc/19/76/16/184197616.db2.gz XUZRADFCMNRDPQ-AWEZNQCLSA-N 1 0 301.356 2.175 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCNC(=O)CC1 ZINC000062099446 184205825 /nfs/dbraw/zinc/20/58/25/184205825.db2.gz ZFHUNXLGFLCSIL-TVQRCGJNSA-N 1 0 301.843 2.002 10 0 DEAERO COCCN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000062210259 184221046 /nfs/dbraw/zinc/22/10/46/184221046.db2.gz RIBLIBKEOYYMCA-WCQYABFASA-N 1 0 303.189 2.241 10 0 DEAERO COCCN1C(=O)CC[C@@H]([NH3+])[C@H]1c1c(F)cccc1Cl ZINC000062213712 184221993 /nfs/dbraw/zinc/22/19/93/184221993.db2.gz GPFIHYJXOHVICC-RISCZKNCSA-N 1 0 300.761 2.116 10 0 DEAERO COCC[NH2+]Cc1cc(Br)ccc1OCCOC ZINC000062730069 184250435 /nfs/dbraw/zinc/25/04/35/184250435.db2.gz FVWWHAITLHUNAZ-UHFFFAOYSA-N 1 0 318.211 2.210 10 0 DEAERO COc1ccc2[nH]c(SCC[NH2+]C3CCOCC3)nc2c1 ZINC000062768260 184252457 /nfs/dbraw/zinc/25/24/57/184252457.db2.gz PCQAPDKLPBPUFT-UHFFFAOYSA-N 1 0 307.419 2.432 10 0 DEAERO CCC[C@]1(C(=O)N(CCOC)[C@@H]2CCSC2)CCC[NH2+]C1 ZINC000062857002 184256984 /nfs/dbraw/zinc/25/69/84/184256984.db2.gz FYCSPAUMVVOKFO-ZBFHGGJFSA-N 1 0 314.495 2.137 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000062960071 184262486 /nfs/dbraw/zinc/26/24/86/184262486.db2.gz YHEXGZLYAFVUOD-UHFFFAOYSA-N 1 0 302.484 2.218 10 0 DEAERO CC[C@]1(C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)CC[NH2+]C1 ZINC000062894241 184258861 /nfs/dbraw/zinc/25/88/61/184258861.db2.gz WACUNZQUEPFTOC-HNNXBMFYSA-N 1 0 309.797 2.028 10 0 DEAERO [NH3+]CCc1ccc(OCc2ncccn2)c(Br)c1 ZINC000062703709 184248248 /nfs/dbraw/zinc/24/82/48/184248248.db2.gz GRIPAUWKVGKGCO-UHFFFAOYSA-N 1 0 308.179 2.319 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1cc(Br)c[nH]1 ZINC000063211102 184278322 /nfs/dbraw/zinc/27/83/22/184278322.db2.gz MBDKKFJFUKMSEB-UWVGGRQHSA-N 1 0 300.200 2.167 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)c1ccc(Br)o1 ZINC000063211812 184278416 /nfs/dbraw/zinc/27/84/16/184278416.db2.gz YQOMYVMGCGDCBR-DTWKUNHWSA-N 1 0 301.184 2.432 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(Br)o1 ZINC000063211819 184278442 /nfs/dbraw/zinc/27/84/42/184278442.db2.gz YQOMYVMGCGDCBR-BDAKNGLRSA-N 1 0 301.184 2.432 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000063213775 184278991 /nfs/dbraw/zinc/27/89/91/184278991.db2.gz RRFHMVTXNPLLSZ-VHSXEESVSA-N 1 0 322.352 2.042 10 0 DEAERO C[NH+](C)[C@H]1CCN(CC(=O)c2ccc(Br)s2)C1 ZINC000062966551 184262736 /nfs/dbraw/zinc/26/27/36/184262736.db2.gz SEODIBRYANTQQL-VIFPVBQESA-N 1 0 317.252 2.329 10 0 DEAERO Nc1cc(Br)cnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062975920 184264005 /nfs/dbraw/zinc/26/40/05/184264005.db2.gz WBEVAAVQEVYRAG-LLVKDONJSA-N 1 0 311.227 2.101 10 0 DEAERO NC(=S)c1ccc(F)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000062980098 184264539 /nfs/dbraw/zinc/26/45/39/184264539.db2.gz LNMFOQGPGLUSPV-AWEZNQCLSA-N 1 0 307.438 2.130 10 0 DEAERO CCCNc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000062984773 184264954 /nfs/dbraw/zinc/26/49/54/184264954.db2.gz PDUGEJVRNXABFN-GFCCVEGCSA-N 1 0 310.829 2.333 10 0 DEAERO CC1(C)C[C@H]([NH3+])c2ccc(OCCCS(C)(=O)=O)cc2O1 ZINC000063014434 184266503 /nfs/dbraw/zinc/26/65/03/184266503.db2.gz SMGPFPVKTOFGKS-ZDUSSCGKSA-N 1 0 313.419 2.061 10 0 DEAERO CCN(CC)[C@@H](C[NH2+]CCCS(C)(=O)=O)c1ccccc1 ZINC000063014741 184267043 /nfs/dbraw/zinc/26/70/43/184267043.db2.gz FCDBQKYVYMEOBU-INIZCTEOSA-N 1 0 312.479 2.094 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1ccccc1Br ZINC000063017155 184267081 /nfs/dbraw/zinc/26/70/81/184267081.db2.gz BBYKTERAPCOELO-LLVKDONJSA-N 1 0 306.225 2.274 10 0 DEAERO C[C@@H](CC[NH3+])N(C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000063086064 184269919 /nfs/dbraw/zinc/26/99/19/184269919.db2.gz YSBUFJIEZMAURM-VIFPVBQESA-N 1 0 310.341 2.063 10 0 DEAERO C[NH2+]CC1CCN(CC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000063165988 184275429 /nfs/dbraw/zinc/27/54/29/184275429.db2.gz ZFJZGPNVYGGXED-UHFFFAOYSA-N 1 0 313.804 2.349 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)c(F)c1 ZINC000063171970 184276246 /nfs/dbraw/zinc/27/62/46/184276246.db2.gz ALNDGDXNPMUYGN-QWRGUYRKSA-N 1 0 301.159 2.198 10 0 DEAERO Cc1nc(C(C)C)ncc1C(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC000065393492 184334390 /nfs/dbraw/zinc/33/43/90/184334390.db2.gz WRMWOAURVZCOGQ-UHFFFAOYSA-N 1 0 316.449 2.466 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCSc2ccccc21 ZINC000536017769 284929350 /nfs/dbraw/zinc/92/93/50/284929350.db2.gz PRFWFFHBUYHOGC-OAHLLOKOSA-N 1 0 313.426 2.311 10 0 DEAERO CSCCC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000065747266 184378522 /nfs/dbraw/zinc/37/85/22/184378522.db2.gz RLIKZLHJBXKISV-UHFFFAOYSA-N 1 0 309.435 2.268 10 0 DEAERO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCC(=O)N(C)CC ZINC000184021343 207364380 /nfs/dbraw/zinc/36/43/80/207364380.db2.gz HKTFVKPTRQAIPJ-INIZCTEOSA-N 1 0 303.450 2.456 10 0 DEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)CCc1nc(-c2ccsc2)no1 ZINC000185428717 207366209 /nfs/dbraw/zinc/36/62/09/207366209.db2.gz GMBUYGHYRQNVEI-NEPJUHHUSA-N 1 0 320.418 2.117 10 0 DEAERO CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCSC)cc1 ZINC000069456540 184516464 /nfs/dbraw/zinc/51/64/64/184516464.db2.gz HREIXXWMUSNCPV-LBPRGKRZSA-N 1 0 316.492 2.389 10 0 DEAERO Cc1cc(C)c(C)c(S(=O)(=O)N[C@](C)(C[NH3+])C2CC2)c1C ZINC000133736879 291805838 /nfs/dbraw/zinc/80/58/38/291805838.db2.gz DKLLYPWLUWUHER-MRXNPFEDSA-N 1 0 310.463 2.326 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccccc1F ZINC000113581495 194604387 /nfs/dbraw/zinc/60/43/87/194604387.db2.gz BGOVRFSWFDEQPL-DZGCQCFKSA-N 1 0 305.397 2.246 10 0 DEAERO CCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000360721916 207399693 /nfs/dbraw/zinc/39/96/93/207399693.db2.gz RPCOTUJCWFGSNO-SJORKVTESA-N 1 0 322.474 2.465 10 0 DEAERO [NH3+]C[C@@H](Nc1ccccc1S(=O)(=O)C(F)(F)F)C1CC1 ZINC000115686445 194697802 /nfs/dbraw/zinc/69/78/02/194697802.db2.gz FMFDDDLODUGRPX-SNVBAGLBSA-N 1 0 308.325 2.129 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000086396083 285020359 /nfs/dbraw/zinc/02/03/59/285020359.db2.gz RDMYTKXFIQAPBY-GOEBONIOSA-N 1 0 311.470 2.316 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000119162675 194984465 /nfs/dbraw/zinc/98/44/65/194984465.db2.gz PMCOJRHKQQBREN-VIFPVBQESA-N 1 0 302.205 2.352 10 0 DEAERO COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000119789039 195036418 /nfs/dbraw/zinc/03/64/18/195036418.db2.gz OZSDTCAOZVYYKJ-CXAGYDPISA-N 1 0 318.417 2.162 10 0 DEAERO CC[NH+](CC)CCN1CCC(c2nnc3ccccn32)CC1 ZINC000119858677 195050146 /nfs/dbraw/zinc/05/01/46/195050146.db2.gz YECRRMCEBMHUDX-UHFFFAOYSA-N 1 0 301.438 2.251 10 0 DEAERO CCC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2)[NH+](C)C ZINC000119811091 195042055 /nfs/dbraw/zinc/04/20/55/195042055.db2.gz NSCJWOXPAURUMH-ABAIWWIYSA-N 1 0 303.406 2.089 10 0 DEAERO O=C([C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1)N1CCOCC1 ZINC000120087933 195094042 /nfs/dbraw/zinc/09/40/42/195094042.db2.gz MSMVYGWBXNGVMJ-AWEZNQCLSA-N 1 0 324.371 2.036 10 0 DEAERO CC[C@@H]1CCC[C@@H]1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000539079337 285069216 /nfs/dbraw/zinc/06/92/16/285069216.db2.gz XXIJYZNEPVYKBH-WBVHZDCISA-N 1 0 307.482 2.099 10 0 DEAERO C[C@]1([NH2+]C[C@@H](O)COC[C@H]2CCCO2)CCCc2ccccc21 ZINC000539807377 285093133 /nfs/dbraw/zinc/09/31/33/285093133.db2.gz UUGSCWSILHDPDH-LMMKCTJWSA-N 1 0 319.445 2.384 10 0 DEAERO CC[N@H+](CCc1nccs1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000159289736 197343426 /nfs/dbraw/zinc/34/34/26/197343426.db2.gz ZVQQBJSFFWCCIT-SNVBAGLBSA-N 1 0 321.368 2.171 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2sc3cccnc3c2N)CC[N@@H+]1C ZINC000159160324 197332112 /nfs/dbraw/zinc/33/21/12/197332112.db2.gz XYIHBEQQYLHICU-NXEZZACHSA-N 1 0 304.419 2.091 10 0 DEAERO CC[NH2+][C@H](Cc1ccncc1)c1c(Br)cnn1C ZINC000159223601 197336969 /nfs/dbraw/zinc/33/69/69/197336969.db2.gz XXAFQLMNMFPOFU-GFCCVEGCSA-N 1 0 309.211 2.471 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)C)cc(C[NH2+]C(C)(C)C)c1F ZINC000159057260 197323031 /nfs/dbraw/zinc/32/30/31/197323031.db2.gz SJXWMLBYEPEVLX-UHFFFAOYSA-N 1 0 302.415 2.273 10 0 DEAERO Cc1nnc(-c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2)o1 ZINC000540516564 285119471 /nfs/dbraw/zinc/11/94/71/285119471.db2.gz GDRYRBDBPBOSKG-UHFFFAOYSA-N 1 0 302.378 2.069 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000540517353 285119984 /nfs/dbraw/zinc/11/99/84/285119984.db2.gz LJVNOKSVSPDXFX-UHFFFAOYSA-N 1 0 322.434 2.141 10 0 DEAERO CC[C@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc(C)cc1C ZINC000158989465 197317205 /nfs/dbraw/zinc/31/72/05/197317205.db2.gz DZHBFJBOMYOTEO-LSDHHAIUSA-N 1 0 310.463 2.360 10 0 DEAERO COCCn1ncc(Br)c1[C@H]([NH3+])C1CCCC1 ZINC000158833944 197304364 /nfs/dbraw/zinc/30/43/64/197304364.db2.gz NNZOEAFDRDVNGF-LLVKDONJSA-N 1 0 302.216 2.482 10 0 DEAERO CC1(C)CN([C@H](C[NH3+])c2ccc3c(c2)OCCO3)CCS1 ZINC000158669592 197292931 /nfs/dbraw/zinc/29/29/31/197292931.db2.gz QRCXUBUIRJWZMK-CYBMUJFWSA-N 1 0 308.447 2.285 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cs1 ZINC000158756192 197298974 /nfs/dbraw/zinc/29/89/74/197298974.db2.gz MUULRSJBCGZXQN-RYUDHWBXSA-N 1 0 314.476 2.278 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(C[NH3+])s2)CCS1 ZINC000158443865 197273329 /nfs/dbraw/zinc/27/33/29/197273329.db2.gz ABABVZDODWKVJC-SNVBAGLBSA-N 1 0 320.505 2.031 10 0 DEAERO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[S@](C)=O ZINC000158077612 197242074 /nfs/dbraw/zinc/24/20/74/197242074.db2.gz NDDOVPIDVMPUKS-SQHYZVFZSA-N 1 0 318.483 2.133 10 0 DEAERO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[S@](C)=O ZINC000158077332 197242222 /nfs/dbraw/zinc/24/22/22/197242222.db2.gz NDDOVPIDVMPUKS-RRMDADRESA-N 1 0 318.483 2.133 10 0 DEAERO COc1ccc(C(N)=S)c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000158028449 197237450 /nfs/dbraw/zinc/23/74/50/197237450.db2.gz JGPAFWOARKVRQW-VXGBXAGGSA-N 1 0 305.447 2.368 10 0 DEAERO C[C@@H](C[NH3+])CS(=O)(=O)Cc1cccc(F)c1Br ZINC000158003225 197234266 /nfs/dbraw/zinc/23/42/66/197234266.db2.gz DKXKTLFIFCRYLA-QMMMGPOBSA-N 1 0 324.215 2.098 10 0 DEAERO O=[S@](Cc1cccc(F)c1Br)CC1C[NH2+]C1 ZINC000158003513 197234632 /nfs/dbraw/zinc/23/46/32/197234632.db2.gz SOFSGBOLYASCIK-MRXNPFEDSA-N 1 0 306.200 2.056 10 0 DEAERO C[N@@H+]1CCCN(c2cc(Br)c(F)cc2N)CC1 ZINC000157762665 197213800 /nfs/dbraw/zinc/21/38/00/197213800.db2.gz BUOZBTYXMYTWNP-UHFFFAOYSA-N 1 0 302.191 2.312 10 0 DEAERO CC(C)C[NH2+]C[C@]1(CN(C)CCOC(C)C)CCCOC1 ZINC000157587000 197199526 /nfs/dbraw/zinc/19/95/26/197199526.db2.gz YAWURIGEEUPWGF-KRWDZBQOSA-N 1 0 300.487 2.386 10 0 DEAERO CCN[C@@](C)(C[C@H](C)[N@H+](C)CCOC(C)C)C(=O)OCC ZINC000157527791 197194247 /nfs/dbraw/zinc/19/42/47/197194247.db2.gz JSCLCPAMERVPPO-HOCLYGCPSA-N 1 0 302.459 2.053 10 0 DEAERO [NH3+]Cc1cc(Br)ccc1Oc1ncnc2[nH]cnc21 ZINC000157517426 197192747 /nfs/dbraw/zinc/19/27/47/197192747.db2.gz ICENXVZBBYAJEG-UHFFFAOYSA-N 1 0 320.150 2.366 10 0 DEAERO CCCNc1nnc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000157335087 197179663 /nfs/dbraw/zinc/17/96/63/197179663.db2.gz YDHAGGRXOAJASB-LLVKDONJSA-N 1 0 313.471 2.066 10 0 DEAERO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H](C)CO)c(OC)c1 ZINC000157195544 197169087 /nfs/dbraw/zinc/16/90/87/197169087.db2.gz KWNKATWHUPPFIU-RWMBFGLXSA-N 1 0 324.421 2.027 10 0 DEAERO Cc1cc2sc(C(=O)NCCC[NH+](C)C)c(N)c2c(C)n1 ZINC000156998914 197155144 /nfs/dbraw/zinc/15/51/44/197155144.db2.gz HSGDEUKSUASFFY-UHFFFAOYSA-N 1 0 306.435 2.177 10 0 DEAERO C[C@@](O)(Cc1ccc(Br)cc1)C[C@H]1COCC[NH2+]1 ZINC000156909555 197148982 /nfs/dbraw/zinc/14/89/82/197148982.db2.gz ZHXGFDPHHCLFOX-UONOGXRCSA-N 1 0 314.223 2.121 10 0 DEAERO Cc1ccc(C[C@@H](C)[N@H+](C)CC(=O)NC(=O)NC(C)(C)C)cc1 ZINC000156859088 197145923 /nfs/dbraw/zinc/14/59/23/197145923.db2.gz WFEHHKUPHGEPKB-CQSZACIVSA-N 1 0 319.449 2.482 10 0 DEAERO Cc1cc(Sc2nnnn2C2CCCC2)c(C[NH3+])c(C)n1 ZINC000156844996 197144587 /nfs/dbraw/zinc/14/45/87/197144587.db2.gz AOHJMYZYNGPJNF-UHFFFAOYSA-N 1 0 304.423 2.410 10 0 DEAERO CCOC(=O)c1c(NC(=O)[C@H](C)[C@@H](C)[NH3+])sc2c1CCC2 ZINC000156810500 197142328 /nfs/dbraw/zinc/14/23/28/197142328.db2.gz YWNUDRTWISUORU-RKDXNWHRSA-N 1 0 310.419 2.335 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000156654098 197129954 /nfs/dbraw/zinc/12/99/54/197129954.db2.gz XUXYUBMPJJVPME-NSHDSACASA-N 1 0 305.451 2.074 10 0 DEAERO O=C(NC[C@H]1CCC[NH2+]1)c1cccc(F)c1Br ZINC000155981378 197078345 /nfs/dbraw/zinc/07/83/45/197078345.db2.gz SULYFGRSZYVTFB-MRVPVSSYSA-N 1 0 301.159 2.070 10 0 DEAERO CC(C)[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000155966713 197077707 /nfs/dbraw/zinc/07/77/07/197077707.db2.gz CAFUPEIMXRZCFW-MRXNPFEDSA-N 1 0 310.463 2.217 10 0 DEAERO C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[S@@](=O)c1cccs1 ZINC000155968068 197077220 /nfs/dbraw/zinc/07/72/20/197077220.db2.gz JMBNHIRANBBSFH-SBKAZYGRSA-N 1 0 308.428 2.342 10 0 DEAERO COc1ccc([S@@](=O)CCOc2ccc(C[NH3+])cc2)cc1 ZINC000155944649 197075946 /nfs/dbraw/zinc/07/59/46/197075946.db2.gz TYHCYSWTUZRXDP-OAQYLSRUSA-N 1 0 305.399 2.341 10 0 DEAERO CC1CCC2(CSC(NC[C@@H]3CCCS3(=O)=O)=[NH+]2)CC1 ZINC000155417742 197053403 /nfs/dbraw/zinc/05/34/03/197053403.db2.gz OVUWZEXSEKMKFR-LXVYMNJGSA-N 1 0 316.492 2.205 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc3ccccc3oc2=O)[C@@H](C)C1 ZINC000155358200 197046994 /nfs/dbraw/zinc/04/69/94/197046994.db2.gz GBUMTVMWFFKREQ-WFASDCNBSA-N 1 0 314.385 2.252 10 0 DEAERO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc3ncnn32)c1 ZINC000542940129 285264720 /nfs/dbraw/zinc/26/47/20/285264720.db2.gz DQAYHNALWOTFIG-UHFFFAOYSA-N 1 0 323.400 2.111 10 0 DEAERO CC[C@H]1CN(Cc2ccc(COC)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000120709512 195221435 /nfs/dbraw/zinc/22/14/35/195221435.db2.gz XWMJDVBCBAHSRB-QAPCUYQASA-N 1 0 306.450 2.110 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC000120879117 195256005 /nfs/dbraw/zinc/25/60/05/195256005.db2.gz QWWOXVKSVRPGJC-HNNXBMFYSA-N 1 0 319.449 2.188 10 0 DEAERO c1cc2cc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)cnc2cn1 ZINC000289603731 221097135 /nfs/dbraw/zinc/09/71/35/221097135.db2.gz HQGCPHSAWXQRMO-HIFRSBDPSA-N 1 0 323.356 2.216 10 0 DEAERO c1cncc(CO[C@H]2CCOC3(C[NH+](C4CCOCC4)C3)C2)c1 ZINC000247968542 257112973 /nfs/dbraw/zinc/11/29/73/257112973.db2.gz TUNOINZYNYJEGH-KRWDZBQOSA-N 1 0 318.417 2.011 10 0 DEAERO COC[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc3c(c2)OCO3)O1 ZINC000247898016 257115183 /nfs/dbraw/zinc/11/51/83/257115183.db2.gz VGAQWNLIUUZNBX-RRFJBIMHSA-N 1 0 305.374 2.184 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2cc(O)cc(O)c2)cc1 ZINC000028652160 257129878 /nfs/dbraw/zinc/12/98/78/257129878.db2.gz WHAUNCTVVNUUIP-KPZWWZAWSA-N 1 0 317.385 2.361 10 0 DEAERO Cc1cccc(CN2CC[N@@H+]3C[C@@H](OCC4CC4)C[C@H]3C2)n1 ZINC000503720654 257207696 /nfs/dbraw/zinc/20/76/96/257207696.db2.gz UQEOYSQOQUWWGW-ROUUACIJSA-N 1 0 301.434 2.075 10 0 DEAERO CN(C)c1ncccc1O[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000275677694 257256970 /nfs/dbraw/zinc/25/69/70/257256970.db2.gz PYGTVCDQHXWQPZ-LSDHHAIUSA-N 1 0 315.417 2.484 10 0 DEAERO Cc1c([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)c2cccc(F)c2)cnn1C ZINC000328619963 257264542 /nfs/dbraw/zinc/26/45/42/257264542.db2.gz GONMBVNMVKDKSN-YESZJQIVSA-N 1 0 319.380 2.021 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CCCO1 ZINC000074019561 184951529 /nfs/dbraw/zinc/95/15/29/184951529.db2.gz OEQWMYJPGCMHCU-QGZVFWFLSA-N 1 0 317.433 2.261 10 0 DEAERO C[C@H](C[NH+]1CCCC1)N1C(=O)C2(CC2)N[C@@H]1c1cccs1 ZINC000121955617 195381241 /nfs/dbraw/zinc/38/12/41/195381241.db2.gz BRECEUSTWUKIRJ-OCCSQVGLSA-N 1 0 305.447 2.195 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)N1C(=O)C2(CC2)N[C@@H]1c1cccs1 ZINC000121955437 195381376 /nfs/dbraw/zinc/38/13/76/195381376.db2.gz BRECEUSTWUKIRJ-JSGCOSHPSA-N 1 0 305.447 2.195 10 0 DEAERO CCSCC[C@H](C[NH2+]CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000122518421 195462492 /nfs/dbraw/zinc/46/24/92/195462492.db2.gz SOYLKLPCGDGRQA-KGLIPLIRSA-N 1 0 307.525 2.426 10 0 DEAERO CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000123073043 195539575 /nfs/dbraw/zinc/53/95/75/195539575.db2.gz IYGMRASHSFBBCT-ROUUACIJSA-N 1 0 317.477 2.401 10 0 DEAERO CC[NH2+]Cc1csc(N(CCOCC)CCOCC)n1 ZINC000124658129 195665369 /nfs/dbraw/zinc/66/53/69/195665369.db2.gz MVQRDRFYMXDYOW-UHFFFAOYSA-N 1 0 301.456 2.132 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)c1ccc(Br)cc1)C(C)C ZINC000124133344 195606689 /nfs/dbraw/zinc/60/66/89/195606689.db2.gz VVHCETHEYDHHQN-GFCCVEGCSA-N 1 0 320.252 2.467 10 0 DEAERO CCOCCN(CCOCC)c1nc(C)c(C[NH2+]C)s1 ZINC000124600555 195659344 /nfs/dbraw/zinc/65/93/44/195659344.db2.gz ACFKUUAYJFAECY-UHFFFAOYSA-N 1 0 301.456 2.050 10 0 DEAERO C[NH2+]C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000125538571 195760346 /nfs/dbraw/zinc/76/03/46/195760346.db2.gz NRTFCMJHVKTFEJ-SNVBAGLBSA-N 1 0 303.189 2.054 10 0 DEAERO C[NH2+]C[C@H](Cc1cc(F)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000125600818 195766886 /nfs/dbraw/zinc/76/68/86/195766886.db2.gz ZNOMQNYAUNSPAO-PWSUYJOCSA-N 1 0 319.829 2.292 10 0 DEAERO COC[C@]1(C2CC2)C[NH+]=C(N)N1c1cccc(Br)c1 ZINC000127271397 195862605 /nfs/dbraw/zinc/86/26/05/195862605.db2.gz ZNBQOJRXBVTFFJ-AWEZNQCLSA-N 1 0 324.222 2.379 10 0 DEAERO C[C@H](CC[S@](C)=O)[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000128305952 195953458 /nfs/dbraw/zinc/95/34/58/195953458.db2.gz TZKNJITWPUHVLF-KPGGICDASA-N 1 0 301.839 2.390 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000562450598 291985975 /nfs/dbraw/zinc/98/59/75/291985975.db2.gz RQTUZAQEYVUIRW-UYAOXDASSA-N 1 0 321.424 2.326 10 0 DEAERO O=C(NCCc1cccc(O)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000066234721 132495166 /nfs/dbraw/zinc/49/51/66/132495166.db2.gz AEGQJUIHWATAQC-UHFFFAOYSA-N 1 0 317.433 2.205 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000176066179 132517311 /nfs/dbraw/zinc/51/73/11/132517311.db2.gz OQMHQKZGPVJMFA-OAHLLOKOSA-N 1 0 317.433 2.427 10 0 DEAERO CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000176045433 132517333 /nfs/dbraw/zinc/51/73/33/132517333.db2.gz HPDBPODNTIKTBL-HZPDHXFCSA-N 1 0 313.486 2.349 10 0 DEAERO O=C(C[NH2+]C[C@@H]1CCCO1)NCc1ccc(Cl)cc1Cl ZINC000232741519 132553904 /nfs/dbraw/zinc/55/39/04/132553904.db2.gz RILZQSLTMDJECJ-LBPRGKRZSA-N 1 0 317.216 2.378 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000237508357 132559319 /nfs/dbraw/zinc/55/93/19/132559319.db2.gz MCWYPTACVIYZPY-OLZOCXBDSA-N 1 0 320.481 2.110 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)C1 ZINC000246092849 132576554 /nfs/dbraw/zinc/57/65/54/132576554.db2.gz CNOPXZJWMCWFLH-GDBMZVCRSA-N 1 0 321.421 2.155 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357877354 133106561 /nfs/dbraw/zinc/10/65/61/133106561.db2.gz ZGIRCEAMDCJSMN-UKRRQHHQSA-N 1 0 315.421 2.235 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1F ZINC000358192778 133127286 /nfs/dbraw/zinc/12/72/86/133127286.db2.gz QFBYCQWBGROLLA-LRDDRELGSA-N 1 0 306.381 2.256 10 0 DEAERO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000358208578 133128398 /nfs/dbraw/zinc/12/83/98/133128398.db2.gz WGFXKXSBFIMFMU-OCCSQVGLSA-N 1 0 308.447 2.487 10 0 DEAERO c1ccc2c(c1)CC[C@@H](C[NH+]1CCN(c3cnccn3)CC1)C2 ZINC000359586949 133132760 /nfs/dbraw/zinc/13/27/60/133132760.db2.gz DKYLYXUYENWTNO-MRXNPFEDSA-N 1 0 308.429 2.404 10 0 DEAERO O=C(NC[C@H](CO)C1CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000359823129 133147196 /nfs/dbraw/zinc/14/71/96/133147196.db2.gz ODSULXKZOYZGJX-QGZVFWFLSA-N 1 0 302.418 2.031 10 0 DEAERO CCOC(=O)c1cnccc1NC1CC([NH+]2CCCCC2)C1 ZINC000360122086 133163828 /nfs/dbraw/zinc/16/38/28/133163828.db2.gz KDEWFCTVOJXZJI-UHFFFAOYSA-N 1 0 303.406 2.109 10 0 DEAERO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360490658 133185380 /nfs/dbraw/zinc/18/53/80/133185380.db2.gz KXPQTAVXHCBJHA-UHFFFAOYSA-N 1 0 303.410 2.045 10 0 DEAERO COC[C@@H](Cc1ccccc1)[NH2+]CCc1cccc(OC)n1 ZINC000361928651 133199837 /nfs/dbraw/zinc/19/98/37/133199837.db2.gz XIVIDCFGDKSFRW-QGZVFWFLSA-N 1 0 300.402 2.480 10 0 DEAERO c1cn(CCCN2CCO[C@H](COc3ccccc3)C2)cn1 ZINC000361990024 133204015 /nfs/dbraw/zinc/20/40/15/133204015.db2.gz ZLUSWLSPXMMRTB-KRWDZBQOSA-N 1 0 301.390 2.053 10 0 DEAERO CN(CCCC(=O)OC(C)(C)C)C(=O)CC1CC[NH+](C)CC1 ZINC000362714074 133247505 /nfs/dbraw/zinc/24/75/05/133247505.db2.gz CYCOEBRPDIBFAR-UHFFFAOYSA-N 1 0 312.454 2.299 10 0 DEAERO CCOC(=O)[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000362869805 133256279 /nfs/dbraw/zinc/25/62/79/133256279.db2.gz WNYYSZICOGGHSH-KRWDZBQOSA-N 1 0 318.417 2.139 10 0 DEAERO c1ccc(OCCOCC[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000362959637 133258534 /nfs/dbraw/zinc/25/85/34/133258534.db2.gz BUPOMMCRTNYVFS-SJORKVTESA-N 1 0 323.458 2.288 10 0 DEAERO Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000368165236 133263292 /nfs/dbraw/zinc/26/32/92/133263292.db2.gz VNOOTIYUUKXRBC-BPQIPLTHSA-N 1 0 324.428 2.359 10 0 DEAERO CCOC(=O)c1csc(CC[NH2+][C@H]2CCC23CCOCC3)n1 ZINC000368528402 133276648 /nfs/dbraw/zinc/27/66/48/133276648.db2.gz QBUOBROCBFABNE-ZDUSSCGKSA-N 1 0 324.446 2.411 10 0 DEAERO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC([C@@H]2CCOC2)C1 ZINC000377060749 133317391 /nfs/dbraw/zinc/31/73/91/133317391.db2.gz HWRJVSGHRWWSOT-QGZVFWFLSA-N 1 0 314.429 2.391 10 0 DEAERO O=C(c1ccc(Br)o1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562979088 292021275 /nfs/dbraw/zinc/02/12/75/292021275.db2.gz FMRXNQABIQJFDO-CYBMUJFWSA-N 1 0 313.195 2.258 10 0 DEAERO O[C@H](C[NH+]1CCC(Oc2ncccc2F)CC1)CC(F)(F)F ZINC000373178110 133380434 /nfs/dbraw/zinc/38/04/34/133380434.db2.gz GCBPFKXLRPVMMA-JTQLQIEISA-N 1 0 322.302 2.377 10 0 DEAERO Cc1c([C@H](C)NC(=O)NC2CC([NH+]3CCCCC3)C2)cnn1C ZINC000373431010 133390612 /nfs/dbraw/zinc/39/06/12/133390612.db2.gz NLYGLVPSNXLQGC-GRTSSRMGSA-N 1 0 319.453 2.106 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)C1 ZINC000373551540 133395129 /nfs/dbraw/zinc/39/51/29/133395129.db2.gz ZYHDJSIVKPDLDI-MRXNPFEDSA-N 1 0 322.474 2.070 10 0 DEAERO CC(C)[NH2+]C[C@H]1CCCCN1c1ccc(S(C)(=O)=O)cc1 ZINC000053699371 134770377 /nfs/dbraw/zinc/77/03/77/134770377.db2.gz VOEXGTGVTOSNOB-OAHLLOKOSA-N 1 0 310.463 2.447 10 0 DEAERO c1cnc2c(c1)nccc2N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000563977670 292082904 /nfs/dbraw/zinc/08/29/04/292082904.db2.gz MZTXKSDGQZWEDO-WMLDXEAASA-N 1 0 312.417 2.107 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCOCC1CCC1 ZINC000564668885 292104678 /nfs/dbraw/zinc/10/46/78/292104678.db2.gz RIQSUTUOODNTIS-CVEARBPZSA-N 1 0 309.454 2.071 10 0 DEAERO CCOc1c(F)cccc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000079583471 144580930 /nfs/dbraw/zinc/58/09/30/144580930.db2.gz VCBBVSBKFFXMNB-UHFFFAOYSA-N 1 0 324.396 2.067 10 0 DEAERO CCCn1c(C)nnc1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128577231 144742912 /nfs/dbraw/zinc/74/29/12/144742912.db2.gz OFVOEGVPOKYTMX-GJZGRUSLSA-N 1 0 302.426 2.467 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)O1 ZINC000130048441 144751473 /nfs/dbraw/zinc/75/14/73/144751473.db2.gz SVOMPFKFBJIDRU-PBHICJAKSA-N 1 0 302.418 2.466 10 0 DEAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000178780092 144865849 /nfs/dbraw/zinc/86/58/49/144865849.db2.gz GYWFJMWFUQWHEB-MJBXVCDLSA-N 1 0 323.234 2.421 10 0 DEAERO COC(=O)c1coc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000183520973 144929853 /nfs/dbraw/zinc/92/98/53/144929853.db2.gz NHXOXMNNIPMIHW-CQSZACIVSA-N 1 0 320.389 2.157 10 0 DEAERO COCC1=CC[N@H+](Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000187615348 145001644 /nfs/dbraw/zinc/00/16/44/145001644.db2.gz ATCBKGUDJAAWFA-UHFFFAOYSA-N 1 0 305.374 2.245 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cn3ccnc3s2)C1 ZINC000188584687 145014089 /nfs/dbraw/zinc/01/40/89/145014089.db2.gz RYDMHEFFVNMJOZ-LBPRGKRZSA-N 1 0 306.435 2.200 10 0 DEAERO COc1ccc(O)cc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000188744052 145016559 /nfs/dbraw/zinc/01/65/59/145016559.db2.gz PVXMWTJWPFACOG-QWHCGFSZSA-N 1 0 306.406 2.251 10 0 DEAERO COc1ccc(O)cc1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000188759511 145017585 /nfs/dbraw/zinc/01/75/85/145017585.db2.gz LFCBGYOESBTWGR-MELADBBJSA-N 1 0 320.433 2.497 10 0 DEAERO Cc1ccc(C(=O)N2CC[NH+]3CCC2CC3)c(Br)n1 ZINC000188826847 145017820 /nfs/dbraw/zinc/01/78/20/145017820.db2.gz GZWKXSUUFMUITB-UHFFFAOYSA-N 1 0 324.222 2.073 10 0 DEAERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc[nH]1 ZINC000189002441 145020670 /nfs/dbraw/zinc/02/06/70/145020670.db2.gz QJWQJKKDRHOPOH-IAQYHMDHSA-N 1 0 305.328 2.168 10 0 DEAERO CC[NH+]1CCN([C@@H](C)CNc2ncnc3c(C)csc32)CC1 ZINC000189973396 145036506 /nfs/dbraw/zinc/03/65/06/145036506.db2.gz LRHWMABXEMTXJA-ZDUSSCGKSA-N 1 0 319.478 2.438 10 0 DEAERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cc[nH]n2)CC1 ZINC000190855608 145048608 /nfs/dbraw/zinc/04/86/08/145048608.db2.gz DFRBHPARUJVFCG-OAHLLOKOSA-N 1 0 322.453 2.038 10 0 DEAERO CCS(=O)(=O)CCCCC[N@H+](C(C)C)C1CCOCC1 ZINC000190884001 145049959 /nfs/dbraw/zinc/04/99/59/145049959.db2.gz WHSLUVFAFZXLIY-UHFFFAOYSA-N 1 0 305.484 2.481 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(OCC3CC3)cc2)C[C@@H]1C ZINC000191335890 145056433 /nfs/dbraw/zinc/05/64/33/145056433.db2.gz YPYOGQMKOYNXBH-JKSUJKDBSA-N 1 0 318.461 2.362 10 0 DEAERO OCC[C@]1(C[NH2+]Cc2ccc(OCC3CC3)cc2)CCOC1 ZINC000191333334 145056840 /nfs/dbraw/zinc/05/68/40/145056840.db2.gz MPPRZQWNLOBOKG-GOSISDBHSA-N 1 0 305.418 2.354 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000191824215 145065000 /nfs/dbraw/zinc/06/50/00/145065000.db2.gz XOEJUUVWTZCJFT-COPLHBTASA-N 1 0 315.410 2.305 10 0 DEAERO Cc1cnn([C@H]2CCC[N@H+](C[C@@H]3CC4(CCC4)C(=O)O3)C2)c1 ZINC000192009891 145068936 /nfs/dbraw/zinc/06/89/36/145068936.db2.gz TUVUVKUGGOHVBU-GJZGRUSLSA-N 1 0 303.406 2.314 10 0 DEAERO COc1ccc(OC)c([C@@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000193478362 145086401 /nfs/dbraw/zinc/08/64/01/145086401.db2.gz PXZVRUCWOSILPQ-CYBMUJFWSA-N 1 0 306.406 2.367 10 0 DEAERO Cc1ccc(NC(=O)[C@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C)c1 ZINC000193649476 145088702 /nfs/dbraw/zinc/08/87/02/145088702.db2.gz GOIKZYSTJDPYAA-HRCADAONSA-N 1 0 301.434 2.124 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1OCCc2ccccc21 ZINC000246285414 145097225 /nfs/dbraw/zinc/09/72/25/145097225.db2.gz OANVQDWGOWCYLI-WMLDXEAASA-N 1 0 302.418 2.291 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)C1 ZINC000246301819 145097669 /nfs/dbraw/zinc/09/76/69/145097669.db2.gz FICXVLWVRQCNCM-RRFJBIMHSA-N 1 0 311.470 2.173 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1N1CCOCC1 ZINC000246374423 145100677 /nfs/dbraw/zinc/10/06/77/145100677.db2.gz HQRCLTBFXOGQGH-HNAYVOBHSA-N 1 0 300.446 2.328 10 0 DEAERO COc1ccc([C@@H]2CC[N@H+](C[C@H](C)CS(C)(=O)=O)C2)cc1 ZINC000246477965 145103978 /nfs/dbraw/zinc/10/39/78/145103978.db2.gz HFLFLKOMKJLZOT-DZGCQCFKSA-N 1 0 311.447 2.165 10 0 DEAERO C[C@H]1Cc2ccccc2N1C(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246506562 145104836 /nfs/dbraw/zinc/10/48/36/145104836.db2.gz BCNAIDVRHUTDLK-VYDXJSESSA-N 1 0 315.461 2.379 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246564889 145107198 /nfs/dbraw/zinc/10/71/98/145107198.db2.gz WZTKXUXSXAGANP-BLLLJJGKSA-N 1 0 318.421 2.495 10 0 DEAERO COc1cccc([C@H](C)[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246611550 145108142 /nfs/dbraw/zinc/10/81/42/145108142.db2.gz YDPHHQPQKJVMNE-RLFYNMQTSA-N 1 0 304.434 2.409 10 0 DEAERO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246613066 145108671 /nfs/dbraw/zinc/10/86/71/145108671.db2.gz JPDHYOAAVCWURF-IJEWVQPXSA-N 1 0 322.474 2.296 10 0 DEAERO COc1cccc(CCC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000246785528 145114699 /nfs/dbraw/zinc/11/46/99/145114699.db2.gz COIXCICPAGYJRA-WMLDXEAASA-N 1 0 304.434 2.473 10 0 DEAERO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000246815665 145115794 /nfs/dbraw/zinc/11/57/94/145115794.db2.gz BSYQKRFJLQQWGS-DOTOQJQBSA-N 1 0 312.417 2.039 10 0 DEAERO CCN1CCC[C@H]([NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000246887318 145118169 /nfs/dbraw/zinc/11/81/69/145118169.db2.gz FGRWEEYVBBZKEW-NEWSRXKRSA-N 1 0 316.493 2.366 10 0 DEAERO COC(=O)c1cccc(OCCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000246951177 145120578 /nfs/dbraw/zinc/12/05/78/145120578.db2.gz DCISYXCWIRYVSQ-HOCLYGCPSA-N 1 0 318.417 2.021 10 0 DEAERO CCC[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000246947809 145120597 /nfs/dbraw/zinc/12/05/97/145120597.db2.gz ARUHFQGDSWHZMM-RDTXWAMCSA-N 1 0 323.481 2.014 10 0 DEAERO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247021580 145123794 /nfs/dbraw/zinc/12/37/94/145123794.db2.gz CRDLERLYOSLBCJ-RYUDHWBXSA-N 1 0 309.360 2.072 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1cccc(OC)c1 ZINC000247038190 145124355 /nfs/dbraw/zinc/12/43/55/145124355.db2.gz VBRUFTJVXKKWDR-GJZGRUSLSA-N 1 0 318.417 2.159 10 0 DEAERO CC(C)CNC(=O)c1cccc(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247053527 145124872 /nfs/dbraw/zinc/12/48/72/145124872.db2.gz FJHHQFFVJDRZLC-SFHVURJKSA-N 1 0 315.461 2.352 10 0 DEAERO CCOCC[N@@H+]1CCN(c2cc(C)nc(C3CC3)n2)C[C@H]1C ZINC000247061946 145125243 /nfs/dbraw/zinc/12/52/43/145125243.db2.gz PFDAPTFZOVDTCU-CQSZACIVSA-N 1 0 304.438 2.209 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247099155 145126371 /nfs/dbraw/zinc/12/63/71/145126371.db2.gz IEDIFPCEOCQHGI-HUUCEWRRSA-N 1 0 313.405 2.017 10 0 DEAERO Cc1ccc(OCCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000247111940 145126803 /nfs/dbraw/zinc/12/68/03/145126803.db2.gz ISTBRZYEIXFSFH-CVEARBPZSA-N 1 0 317.433 2.252 10 0 DEAERO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)[C@H](C)CO ZINC000247227193 145129364 /nfs/dbraw/zinc/12/93/64/145129364.db2.gz OOVYPDPWAVRLGI-CABCVRRESA-N 1 0 321.465 2.343 10 0 DEAERO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247245729 145130581 /nfs/dbraw/zinc/13/05/81/145130581.db2.gz NGOFDTBRFPGTHE-NCOADZHNSA-N 1 0 323.481 2.460 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C(C)C)[C@@H](C)C1 ZINC000247271801 145131464 /nfs/dbraw/zinc/13/14/64/145131464.db2.gz RFYPATAEQNQUGM-XHSDSOJGSA-N 1 0 313.486 2.467 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccnc1 ZINC000247305484 145132455 /nfs/dbraw/zinc/13/24/55/145132455.db2.gz VKBBMYYZHBBRKK-RHSMWYFYSA-N 1 0 310.401 2.117 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(C(=O)N(C)C)c1 ZINC000247473641 145138168 /nfs/dbraw/zinc/13/81/68/145138168.db2.gz RWTXSQPRTJUXCA-YOEHRIQHSA-N 1 0 301.434 2.057 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCc3ccccc32)C1 ZINC000247512100 145139937 /nfs/dbraw/zinc/13/99/37/145139937.db2.gz PXLAMAVLMFGKST-CVEARBPZSA-N 1 0 301.434 2.500 10 0 DEAERO Cc1ccccc1C[C@@H](C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247655362 145142638 /nfs/dbraw/zinc/14/26/38/145142638.db2.gz XZWLVSGQOFKKCI-WBVHZDCISA-N 1 0 301.434 2.416 10 0 DEAERO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@@H](O)CN1CCCC1=O ZINC000247737509 145143544 /nfs/dbraw/zinc/14/35/44/145143544.db2.gz VRFJFOJDGKBIIH-QZTJIDSGSA-N 1 0 318.461 2.313 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)[C@H]1CCOC1 ZINC000247942453 145145727 /nfs/dbraw/zinc/14/57/27/145145727.db2.gz DCPVNGSCYHXZBI-CVYDXHPNSA-N 1 0 303.450 2.307 10 0 DEAERO CN(C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)C1CCCCC1 ZINC000248043512 145147236 /nfs/dbraw/zinc/14/72/36/145147236.db2.gz UGIFMCUSAGUZFN-YJBOKZPZSA-N 1 0 308.466 2.405 10 0 DEAERO C[C@H]1Cc2ccccc2N1C(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248326796 145150871 /nfs/dbraw/zinc/15/08/71/145150871.db2.gz CBEGQCYHALMURA-RDJZCZTQSA-N 1 0 313.445 2.134 10 0 DEAERO Cc1ccc(C)c(OC[C@@H](O)CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000248343956 145151127 /nfs/dbraw/zinc/15/11/27/145151127.db2.gz KYNUXFBYWDGHBB-ROUUACIJSA-N 1 0 318.461 2.213 10 0 DEAERO CCOCC[N@@H+]1CCN([C@H](CC(C)C)C(=O)OCC)C[C@@H]1C ZINC000248418085 145154332 /nfs/dbraw/zinc/15/43/32/145154332.db2.gz KAMJNNCFEHPMCY-JKSUJKDBSA-N 1 0 314.470 2.007 10 0 DEAERO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000248475803 145156602 /nfs/dbraw/zinc/15/66/02/145156602.db2.gz NDXSIWACHDRCDX-OWCLPIDISA-N 1 0 308.466 2.428 10 0 DEAERO COC(=O)c1ccccc1CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000248548562 145158319 /nfs/dbraw/zinc/15/83/19/145158319.db2.gz GUDHKXLZGXRTPE-HOCLYGCPSA-N 1 0 302.418 2.184 10 0 DEAERO Cc1nc(C[C@@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)no1 ZINC000248578667 145159352 /nfs/dbraw/zinc/15/93/52/145159352.db2.gz OAWRTQOROVMVJC-HOCLYGCPSA-N 1 0 309.410 2.176 10 0 DEAERO COC1(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCCCC1 ZINC000248566657 145159689 /nfs/dbraw/zinc/15/96/89/145159689.db2.gz QCGXHUQQQKAFLC-LSDHHAIUSA-N 1 0 311.470 2.364 10 0 DEAERO C[C@H](C[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O)Cc1ccccc1 ZINC000248582822 145160025 /nfs/dbraw/zinc/16/00/25/145160025.db2.gz PEFCVHSKBZLOJE-USXIJHARSA-N 1 0 324.490 2.173 10 0 DEAERO COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000251787347 145196427 /nfs/dbraw/zinc/19/64/27/145196427.db2.gz LSULCJZBIFWTST-WMLDXEAASA-N 1 0 320.433 2.010 10 0 DEAERO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](CCO)C1)c1ccccc1Cl ZINC000252895440 145200665 /nfs/dbraw/zinc/20/06/65/145200665.db2.gz YTLGINGIJJRPHK-CHWSQXEVSA-N 1 0 310.825 2.222 10 0 DEAERO CCOC(=O)CN[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000253354832 145202034 /nfs/dbraw/zinc/20/20/34/145202034.db2.gz MRDFTLBJYCTKJF-AEFFLSMTSA-N 1 0 318.417 2.126 10 0 DEAERO COCCN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cn1 ZINC000253351991 145202090 /nfs/dbraw/zinc/20/20/90/145202090.db2.gz MVNNHVKDBXWJQA-DLBZAZTESA-N 1 0 319.449 2.211 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000261565668 145207724 /nfs/dbraw/zinc/20/77/24/145207724.db2.gz HXIHEDKXMPJPRO-UHFFFAOYSA-N 1 0 315.186 2.412 10 0 DEAERO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261612613 145210529 /nfs/dbraw/zinc/21/05/29/145210529.db2.gz CIGDZHVUPPFWRH-HOCLYGCPSA-N 1 0 303.450 2.093 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCc1ccc(F)cc1 ZINC000261649028 145213371 /nfs/dbraw/zinc/21/33/71/145213371.db2.gz FNNXFSCOIRRICK-IIDMSEBBSA-N 1 0 320.408 2.017 10 0 DEAERO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000261648352 145213855 /nfs/dbraw/zinc/21/38/55/145213855.db2.gz JKYXLULUCVUYNA-INIZCTEOSA-N 1 0 304.415 2.199 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c(Cl)c1 ZINC000261677063 145215583 /nfs/dbraw/zinc/21/55/83/145215583.db2.gz GLGPYTUBUKYUJA-ZDUSSCGKSA-N 1 0 316.854 2.396 10 0 DEAERO CCC(=O)c1ccc(OCc2nc(C[C@@H](C)[NH2+]C)no2)cc1 ZINC000261675280 145215687 /nfs/dbraw/zinc/21/56/87/145215687.db2.gz GMKBCEVPEFPFBL-LLVKDONJSA-N 1 0 303.362 2.392 10 0 DEAERO CCCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000261676634 145215702 /nfs/dbraw/zinc/21/57/02/145215702.db2.gz HTJRFOMRFAIHBF-AWEZNQCLSA-N 1 0 321.440 2.467 10 0 DEAERO CS(=O)(=O)C1(c2nc(-c3ccc(C[NH3+])cc3)no2)CCCC1 ZINC000261681755 145216174 /nfs/dbraw/zinc/21/61/74/145216174.db2.gz AHLZXKSJZUDFNO-UHFFFAOYSA-N 1 0 321.402 2.009 10 0 DEAERO COC(=O)[C@H](C)Oc1ccc(CN2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261683084 145216307 /nfs/dbraw/zinc/21/63/07/145216307.db2.gz KBQNGWVPUXMMCI-BBRMVZONSA-N 1 0 320.433 2.186 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1COc2ccccc2C1 ZINC000261695558 145217865 /nfs/dbraw/zinc/21/78/65/145217865.db2.gz DKSWAJVONOOURR-FDWIBUHLSA-N 1 0 314.429 2.260 10 0 DEAERO C[C@]1(c2ccccc2)CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261695717 145217877 /nfs/dbraw/zinc/21/78/77/145217877.db2.gz DNFQWGOKPHQZQA-KRWDZBQOSA-N 1 0 302.418 2.075 10 0 DEAERO Cc1ccn(-c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)n1 ZINC000261702307 145218532 /nfs/dbraw/zinc/21/85/32/145218532.db2.gz FRCJIOMRXFZISD-CALCHBBNSA-N 1 0 324.428 2.252 10 0 DEAERO COc1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1OC ZINC000261728439 145220672 /nfs/dbraw/zinc/22/06/72/145220672.db2.gz NZCGCFLANIPUBF-MRXNPFEDSA-N 1 0 313.401 2.245 10 0 DEAERO Cc1ccc(NC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)cc1C ZINC000261759434 145223449 /nfs/dbraw/zinc/22/34/49/145223449.db2.gz NWVVLLZRDACGNI-SFHVURJKSA-N 1 0 324.428 2.283 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)CC[C@@H]1CCCCO1 ZINC000261807017 145228260 /nfs/dbraw/zinc/22/82/60/145228260.db2.gz WJCSXSYMFLVJNA-KRWDZBQOSA-N 1 0 304.434 2.366 10 0 DEAERO Cc1nccn1-c1ncccc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000261810806 145228725 /nfs/dbraw/zinc/22/87/25/145228725.db2.gz GNAXVJGASYSPDT-KBPBESRZSA-N 1 0 313.405 2.422 10 0 DEAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(N2CCCCC2)cc1 ZINC000261846399 145232882 /nfs/dbraw/zinc/23/28/82/145232882.db2.gz PRVMAIDNWZWRFF-LSDHHAIUSA-N 1 0 301.434 2.486 10 0 DEAERO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261868182 145235177 /nfs/dbraw/zinc/23/51/77/145235177.db2.gz NWWKGXSABSCRSC-HUUCEWRRSA-N 1 0 302.418 2.207 10 0 DEAERO CCOc1c(F)cccc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261866599 145235441 /nfs/dbraw/zinc/23/54/41/145235441.db2.gz RXAYUFVGTXVCCS-UHFFFAOYSA-N 1 0 306.381 2.440 10 0 DEAERO C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccccc1-n1cccn1 ZINC000261897041 145238235 /nfs/dbraw/zinc/23/82/35/145238235.db2.gz YANSLQHPDAIHPC-HUUCEWRRSA-N 1 0 312.417 2.439 10 0 DEAERO Cc1cccc(C)c1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261903398 145239647 /nfs/dbraw/zinc/23/96/47/145239647.db2.gz HZMFXBHZRSHPOD-RCCFBDPRSA-N 1 0 318.461 2.429 10 0 DEAERO C[C@H]1CCN(C(=O)c2cnc(-c3ccccn3)s2)[C@H](C[NH3+])C1 ZINC000261897720 145239746 /nfs/dbraw/zinc/23/97/46/145239746.db2.gz VYNQHTZYYPOLJD-RYUDHWBXSA-N 1 0 316.430 2.405 10 0 DEAERO C[C@H]([NH3+])CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261900074 145239816 /nfs/dbraw/zinc/23/98/16/145239816.db2.gz YTWSJJUQZMHAPY-JBCWJZNQSA-N 1 0 313.804 2.078 10 0 DEAERO c1csc(CN(Cc2cocn2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261922980 145242336 /nfs/dbraw/zinc/24/23/36/145242336.db2.gz KSFZLWZGQXTYKK-ZDUSSCGKSA-N 1 0 304.419 2.275 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)c2ccccc2OC[C@@H]2CCCO2)C1 ZINC000261932526 145244218 /nfs/dbraw/zinc/24/42/18/145244218.db2.gz ITHNGIKPFWRZFP-KBXCAEBGSA-N 1 0 318.417 2.055 10 0 DEAERO C[NH2+]C1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000261936926 145244328 /nfs/dbraw/zinc/24/43/28/145244328.db2.gz MCXYWPCMOOHJPB-UHFFFAOYSA-N 1 0 302.397 2.254 10 0 DEAERO CC(=O)Nc1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261952215 145246631 /nfs/dbraw/zinc/24/66/31/145246631.db2.gz OLOHDWZWYPDLIA-BBWFWOEESA-N 1 0 303.406 2.214 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCc1ccccc1F ZINC000261958525 145246778 /nfs/dbraw/zinc/24/67/78/145246778.db2.gz XKAUKDGLVBPWKU-SIIHOXLZSA-N 1 0 320.408 2.017 10 0 DEAERO CN(Cc1ccc(F)cc1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000261974003 145248810 /nfs/dbraw/zinc/24/88/10/145248810.db2.gz ZJYWFYKKGDZVSU-RLFYNMQTSA-N 1 0 320.408 2.317 10 0 DEAERO CC1(C)CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC[C@H]1[NH3+] ZINC000262010208 145252792 /nfs/dbraw/zinc/25/27/92/145252792.db2.gz OCCKETFRUVPAIM-OAHLLOKOSA-N 1 0 316.380 2.415 10 0 DEAERO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1OC(F)F ZINC000262043591 145256313 /nfs/dbraw/zinc/25/63/13/145256313.db2.gz SXCKPPZRCNBIHI-WCFLWFBJSA-N 1 0 310.344 2.260 10 0 DEAERO CSc1cccc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000262102943 145262313 /nfs/dbraw/zinc/26/23/13/145262313.db2.gz TUNQSYCZOFKZGS-NEPJUHHUSA-N 1 0 314.476 2.075 10 0 DEAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cc(C(F)(F)F)ccc1Cl ZINC000262122075 145263629 /nfs/dbraw/zinc/26/36/29/145263629.db2.gz MJCKSHOZSBGZEH-BXKDBHETSA-N 1 0 308.731 2.029 10 0 DEAERO C[C@@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)C1C[NH2+]C1 ZINC000262245654 145271666 /nfs/dbraw/zinc/27/16/66/145271666.db2.gz SAIJYENLPJFKMX-CYBMUJFWSA-N 1 0 304.434 2.335 10 0 DEAERO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000262257066 145272023 /nfs/dbraw/zinc/27/20/23/145272023.db2.gz TYMONGXTMGASSU-DYVFJYSZSA-N 1 0 322.424 2.199 10 0 DEAERO [NH3+]CC1(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CCOCC1 ZINC000262306709 145275093 /nfs/dbraw/zinc/27/50/93/145275093.db2.gz QCYDRLGXROJGJM-UHFFFAOYSA-N 1 0 322.380 2.451 10 0 DEAERO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCN(Cc2cccs2)CC1 ZINC000262392046 145280605 /nfs/dbraw/zinc/28/06/05/145280605.db2.gz BJVNYLINCHVKBC-HNNXBMFYSA-N 1 0 321.490 2.171 10 0 DEAERO C[C@H](Cc1cccs1)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262399837 145281525 /nfs/dbraw/zinc/28/15/25/145281525.db2.gz CDPBLEOHFMRECV-MBMVNNNZSA-N 1 0 322.474 2.328 10 0 DEAERO Fc1cc([C@@H]2C[C@H]2NC2=[NH+]CCCN2)ccc1Br ZINC000262413030 145282240 /nfs/dbraw/zinc/28/22/40/145282240.db2.gz STDZOCOBGKPIIW-JOYOIKCWSA-N 1 0 312.186 2.383 10 0 DEAERO CCOC(=O)C1CCC(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000262420063 145282675 /nfs/dbraw/zinc/28/26/75/145282675.db2.gz DYCBTKAERPXZMZ-HXSCFSKGSA-N 1 0 310.438 2.132 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2cccc3ncccc32)C1 ZINC000262421287 145282949 /nfs/dbraw/zinc/28/29/49/145282949.db2.gz FBDWGTMEWZTGEP-CHWSQXEVSA-N 1 0 319.430 2.031 10 0 DEAERO [NH3+]C1(C(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)CCCCC1 ZINC000262475751 145286441 /nfs/dbraw/zinc/28/64/41/145286441.db2.gz PNNNEOVDYZRKAR-CYBMUJFWSA-N 1 0 318.421 2.315 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262488523 145287459 /nfs/dbraw/zinc/28/74/59/145287459.db2.gz VWSMKHJHOTWPAJ-WQFMGJDKSA-N 1 0 318.465 2.005 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1ccc(Cl)cc1 ZINC000262498034 145288017 /nfs/dbraw/zinc/28/80/17/145288017.db2.gz LRASTTIFBPIFRY-JJRVBVJISA-N 1 0 322.836 2.489 10 0 DEAERO CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1C ZINC000262511966 145289200 /nfs/dbraw/zinc/28/92/00/145289200.db2.gz NBAIVYYSGDESLB-RCBQFDQVSA-N 1 0 315.417 2.214 10 0 DEAERO CC(C)c1ccc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000262528154 145290804 /nfs/dbraw/zinc/29/08/04/145290804.db2.gz PDEIOSHBMWHKSI-BHYGNILZSA-N 1 0 301.434 2.418 10 0 DEAERO CCCN(C(=O)[C@H](C)Oc1ccc(OC)cc1)[C@H]1CC[NH2+]C1 ZINC000262563087 145293776 /nfs/dbraw/zinc/29/37/76/145293776.db2.gz APTGPNKKENBSEY-KBPBESRZSA-N 1 0 306.406 2.063 10 0 DEAERO CCCN(C(=O)[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CC[NH2+]C1 ZINC000262563088 145293803 /nfs/dbraw/zinc/29/38/03/145293803.db2.gz APTGPNKKENBSEY-KGLIPLIRSA-N 1 0 306.406 2.063 10 0 DEAERO COc1ccc(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c(OC)c1 ZINC000262587091 145295554 /nfs/dbraw/zinc/29/55/54/145295554.db2.gz ZWHTWMSVWJNOBZ-WFASDCNBSA-N 1 0 306.406 2.228 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262650938 145298557 /nfs/dbraw/zinc/29/85/57/145298557.db2.gz VCNKVQGQCRYQER-CVEARBPZSA-N 1 0 318.465 2.051 10 0 DEAERO COCC[NH2+]CCNC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000262665266 145298833 /nfs/dbraw/zinc/29/88/33/145298833.db2.gz OJFGTTYSCIYONG-HNNXBMFYSA-N 1 0 310.463 2.156 10 0 DEAERO C[C@@H]1[NH2+]CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)[C@H]1C ZINC000262787966 145304947 /nfs/dbraw/zinc/30/49/47/145304947.db2.gz MSVSBQCRAOEAIW-RYUDHWBXSA-N 1 0 318.808 2.348 10 0 DEAERO C[C@H]1[NH2+]CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)[C@H]1C ZINC000262787903 145305141 /nfs/dbraw/zinc/30/51/41/145305141.db2.gz MQABGMXTYMLVOK-NEPJUHHUSA-N 1 0 318.808 2.348 10 0 DEAERO FC(F)(F)COCc1cccc(CNC2=[NH+]CCCN2)c1 ZINC000262814101 145306276 /nfs/dbraw/zinc/30/62/76/145306276.db2.gz YXUVZIOGVJGDED-UHFFFAOYSA-N 1 0 301.312 2.204 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(Cc2ccc3c(c2)CCCC3)n1 ZINC000263125141 145327695 /nfs/dbraw/zinc/32/76/95/145327695.db2.gz BFEVHRGFYSPIBV-INIZCTEOSA-N 1 0 312.417 2.115 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cc3c(s2)CCCC3)n1 ZINC000263150699 145330481 /nfs/dbraw/zinc/33/04/81/145330481.db2.gz DBECTJWKPOQXEX-LLVKDONJSA-N 1 0 304.419 2.253 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(CCc2ccc(Cl)s2)n1 ZINC000263210062 145336458 /nfs/dbraw/zinc/33/64/58/145336458.db2.gz KEJMYSGZWQNWMR-JTQLQIEISA-N 1 0 312.826 2.146 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc(C(F)(F)F)c2)n1 ZINC000263210915 145336463 /nfs/dbraw/zinc/33/64/63/145336463.db2.gz KHXHLDIZGGCSHK-LLVKDONJSA-N 1 0 312.295 2.332 10 0 DEAERO Cc1ccc2nc(C)c(-c3nc([C@@H]4C[NH2+]CCN4C)no3)cc2c1 ZINC000263221673 145338009 /nfs/dbraw/zinc/33/80/09/145338009.db2.gz LYWFMIRSYSSWSD-INIZCTEOSA-N 1 0 323.400 2.478 10 0 DEAERO C[C@@H](Cc1ccccc1F)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263227211 145338492 /nfs/dbraw/zinc/33/84/92/145338492.db2.gz MZLSMISFBVSHJN-FZMZJTMJSA-N 1 0 304.369 2.131 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccccc2OCC2CC2)n1 ZINC000263228091 145338875 /nfs/dbraw/zinc/33/88/75/145338875.db2.gz NBMZIGOXAVTXRJ-AWEZNQCLSA-N 1 0 314.389 2.102 10 0 DEAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCO[C@@H]2C2CC2)C1 ZINC000332752115 145387879 /nfs/dbraw/zinc/38/78/79/145387879.db2.gz APAWQQTXJLSOOF-VNQPRFMTSA-N 1 0 323.481 2.364 10 0 DEAERO CC(=O)c1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000347006152 146178067 /nfs/dbraw/zinc/17/80/67/146178067.db2.gz MPYNJTFWEIEOQR-QGZVFWFLSA-N 1 0 300.402 2.127 10 0 DEAERO O[C@@H](CC[NH2+]Cc1cnn(Cc2ccccc2)c1)C(F)(F)F ZINC000349317781 146367657 /nfs/dbraw/zinc/36/76/57/146367657.db2.gz QEEDWJIQJCQTMP-AWEZNQCLSA-N 1 0 313.323 2.334 10 0 DEAERO CC(=O)Nc1cccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000358442474 147134888 /nfs/dbraw/zinc/13/48/88/147134888.db2.gz UCYQCHXQEUHICW-UHFFFAOYSA-N 1 0 316.405 2.419 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(CCCO)CC(C)(C)C)CC1 ZINC000358658468 147176207 /nfs/dbraw/zinc/17/62/07/147176207.db2.gz DMFFTMGKNPLWCZ-UHFFFAOYSA-N 1 0 311.470 2.079 10 0 DEAERO C[C@](O)(CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000358676476 147179590 /nfs/dbraw/zinc/17/95/90/147179590.db2.gz DHMDWMGSLVAFPE-BQFCYCMXSA-N 1 0 323.481 2.244 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)cc1 ZINC000358787048 147205626 /nfs/dbraw/zinc/20/56/26/147205626.db2.gz CULVFPAOJMAIKY-GHMZBOCLSA-N 1 0 300.362 2.290 10 0 DEAERO CCOc1ccccc1-n1nnnc1SC[C@H](C)[NH+](C)C ZINC000358848294 147218160 /nfs/dbraw/zinc/21/81/60/147218160.db2.gz AOEJPPRYIBPYOP-NSHDSACASA-N 1 0 307.423 2.103 10 0 DEAERO CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccn(C)n1 ZINC000358944693 147235491 /nfs/dbraw/zinc/23/54/91/147235491.db2.gz XZTWIBFHZSLPSZ-UHFFFAOYSA-N 1 0 321.469 2.218 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000367832260 147796208 /nfs/dbraw/zinc/79/62/08/147796208.db2.gz MQJQIMVTGYASLH-CYBMUJFWSA-N 1 0 314.838 2.069 10 0 DEAERO O=C(COCc1ccccc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371231171 148075547 /nfs/dbraw/zinc/07/55/47/148075547.db2.gz OJONBKMXBOQPIG-IRXDYDNUSA-N 1 0 302.418 2.194 10 0 DEAERO CCCc1occc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000374232263 148221098 /nfs/dbraw/zinc/22/10/98/148221098.db2.gz RUOFNJLGUHGBEW-AWEZNQCLSA-N 1 0 306.406 2.215 10 0 DEAERO C[C@H]1COCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000374362638 148235227 /nfs/dbraw/zinc/23/52/27/148235227.db2.gz RRCVVCLMUSMKHI-OAHLLOKOSA-N 1 0 302.418 2.391 10 0 DEAERO C[C@H]1CCOCC[N@@H+]1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000374988710 148312582 /nfs/dbraw/zinc/31/25/82/148312582.db2.gz OLIMSYLOOCSFFY-HNNXBMFYSA-N 1 0 302.418 2.288 10 0 DEAERO OC1(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)CCOCC1 ZINC000375401387 148367327 /nfs/dbraw/zinc/36/73/27/148367327.db2.gz GRKWBHVMUXJHMZ-GOSISDBHSA-N 1 0 303.402 2.049 10 0 DEAERO C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000111684343 401720871 /nfs/dbraw/zinc/72/08/71/401720871.db2.gz VVTCYDBODKOWNX-STQMWFEESA-N 1 0 310.825 2.316 10 0 DEAERO CC(C)[C@H](C)CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000073904472 401724494 /nfs/dbraw/zinc/72/44/94/401724494.db2.gz VXNKNRYVYKNHBG-MRXNPFEDSA-N 1 0 317.477 2.456 10 0 DEAERO CCc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000127248180 401726011 /nfs/dbraw/zinc/72/60/11/401726011.db2.gz AHZTWACZXRBSOI-QGZVFWFLSA-N 1 0 319.449 2.159 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(CC(C)C)CC(C)C ZINC000111867152 401726410 /nfs/dbraw/zinc/72/64/10/401726410.db2.gz UJICDOJKCGJQND-MRXNPFEDSA-N 1 0 313.486 2.421 10 0 DEAERO C[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(C)(C)C ZINC000112448559 401745648 /nfs/dbraw/zinc/74/56/48/401745648.db2.gz LPUQHRFWOKAZKG-CQSZACIVSA-N 1 0 324.513 2.279 10 0 DEAERO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000071935765 401698583 /nfs/dbraw/zinc/69/85/83/401698583.db2.gz ZPDXGXHWKHJBCC-PMPSAXMXSA-N 1 0 311.470 2.365 10 0 DEAERO CCCC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072808155 401712244 /nfs/dbraw/zinc/71/22/44/401712244.db2.gz TZYPGNYYTUCUEN-HOTGVXAUSA-N 1 0 323.481 2.016 10 0 DEAERO CCONC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000111437644 401715649 /nfs/dbraw/zinc/71/56/49/401715649.db2.gz AIPGUBSFEUYKFS-NSHDSACASA-N 1 0 313.348 2.180 10 0 DEAERO CC[C@@]1(C)CCCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000073676324 401719902 /nfs/dbraw/zinc/71/99/02/401719902.db2.gz USPXLXGGDWCUAU-KRWDZBQOSA-N 1 0 311.470 2.321 10 0 DEAERO CCCCCC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415280 401798635 /nfs/dbraw/zinc/79/86/35/401798635.db2.gz JTQOHQHXMYPZRS-UHFFFAOYSA-N 1 0 318.465 2.372 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000077020752 401802633 /nfs/dbraw/zinc/80/26/33/401802633.db2.gz OOYHLPNZZXHNHC-KRWDZBQOSA-N 1 0 323.481 2.461 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCC(CC)(CC)CO)CC1 ZINC000129659736 401806827 /nfs/dbraw/zinc/80/68/27/401806827.db2.gz DLFZVJKZXUMYMF-UHFFFAOYSA-N 1 0 313.486 2.206 10 0 DEAERO CC(C)CC1(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CCC1 ZINC000129750721 401808168 /nfs/dbraw/zinc/80/81/68/401808168.db2.gz BTVAABBODSSSMJ-OAHLLOKOSA-N 1 0 311.470 2.175 10 0 DEAERO CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)n1C ZINC000127903559 401755196 /nfs/dbraw/zinc/75/51/96/401755196.db2.gz MVZRNBLRZALEMH-KGLIPLIRSA-N 1 0 302.426 2.409 10 0 DEAERO CC[NH+](CC)CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000075262721 401756611 /nfs/dbraw/zinc/75/66/11/401756611.db2.gz QNUOWSWOADIWCE-CQSZACIVSA-N 1 0 300.406 2.391 10 0 DEAERO c1cnn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nnnn2-c2ccccc2)c1 ZINC000128004057 401758725 /nfs/dbraw/zinc/75/87/25/401758725.db2.gz RZFVYBDHMVTALA-JKSUJKDBSA-N 1 0 323.404 2.132 10 0 DEAERO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)NC1CCCCC1 ZINC000128166935 401765833 /nfs/dbraw/zinc/76/58/33/401765833.db2.gz LPYHHBZIZFBWFU-HZPDHXFCSA-N 1 0 304.438 2.405 10 0 DEAERO Cc1ccc(OCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000113232232 401771151 /nfs/dbraw/zinc/77/11/51/401771151.db2.gz PAWQQTHDTBZAGY-HOTGVXAUSA-N 1 0 302.418 2.377 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCCC1CCCCC1 ZINC000113267072 401773576 /nfs/dbraw/zinc/77/35/76/401773576.db2.gz IOLAYDINCYPXDA-NVXWUHKLSA-N 1 0 307.482 2.242 10 0 DEAERO CC1CCC(N(C)C(=O)CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113271112 401774350 /nfs/dbraw/zinc/77/43/50/401774350.db2.gz YRQFSXAXXZVHOQ-ODZFXCKXSA-N 1 0 307.482 2.192 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(CCCOc2cc(C)cc(C)c2)CC1 ZINC000075961991 401775516 /nfs/dbraw/zinc/77/55/16/401775516.db2.gz CPRKTNUKEMKYKP-SFHVURJKSA-N 1 0 320.477 2.461 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113305815 401775985 /nfs/dbraw/zinc/77/59/85/401775985.db2.gz GGIHQRMQDBNPFR-GJZGRUSLSA-N 1 0 308.447 2.161 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)COc1ccccc1Cl ZINC000113310573 401776340 /nfs/dbraw/zinc/77/63/40/401776340.db2.gz DOBKBUQQJJOQFT-KFWWJZLASA-N 1 0 324.852 2.248 10 0 DEAERO O[C@@]12CCCC[C@@H]1CN(Cc1nc(-c3ccco3)no1)CC2 ZINC000128447233 401777344 /nfs/dbraw/zinc/77/73/44/401777344.db2.gz BTXJCDAEGNFFMH-MLGOLLRUSA-N 1 0 303.362 2.457 10 0 DEAERO CN(CC(=O)NC(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110214 401783431 /nfs/dbraw/zinc/78/34/31/401783431.db2.gz LWJULJKYDRTIRB-QGZVFWFLSA-N 1 0 317.477 2.355 10 0 DEAERO CCCn1c(C)nnc1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128577708 401783931 /nfs/dbraw/zinc/78/39/31/401783931.db2.gz OFVOEGVPOKYTMX-LSDHHAIUSA-N 1 0 302.426 2.467 10 0 DEAERO C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)Oc1ccccc1 ZINC000114032871 401789288 /nfs/dbraw/zinc/78/92/88/401789288.db2.gz WRWRGAWXZAGIFL-BZUAXINKSA-N 1 0 317.433 2.332 10 0 DEAERO O=C(C[C@@H]1OCCc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000115045687 401818425 /nfs/dbraw/zinc/81/84/25/401818425.db2.gz GKKFMKYNWUIMOI-AEFFLSMTSA-N 1 0 314.429 2.387 10 0 DEAERO CC[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000077581494 401821170 /nfs/dbraw/zinc/82/11/70/401821170.db2.gz PBXQEAMIDZBNNR-PMPSAXMXSA-N 1 0 311.470 2.365 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1COc2ccccc2C1 ZINC000077729995 401827830 /nfs/dbraw/zinc/82/78/30/401827830.db2.gz UISSMDHSUFKBJB-JKSUJKDBSA-N 1 0 304.434 2.330 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000077804263 401832771 /nfs/dbraw/zinc/83/27/71/401832771.db2.gz KTITXKXVHFZTAS-HOCLYGCPSA-N 1 0 311.470 2.101 10 0 DEAERO COc1ccnc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000116021633 401840724 /nfs/dbraw/zinc/84/07/24/401840724.db2.gz BHDRQSKXDYFGAJ-CQSZACIVSA-N 1 0 303.406 2.181 10 0 DEAERO COCc1ccc([C@H]2CCCN2C[C@H](C)CS(C)(=O)=O)o1 ZINC000131365803 401849166 /nfs/dbraw/zinc/84/91/66/401849166.db2.gz POBAQYATHALFJC-GXTWGEPZSA-N 1 0 315.435 2.244 10 0 DEAERO COC(=O)[C@H](C)C[N@H+](CCn1ccnc1)Cc1ccccc1 ZINC000131417403 401849737 /nfs/dbraw/zinc/84/97/37/401849737.db2.gz GZJDDALKRCRRGJ-OAHLLOKOSA-N 1 0 301.390 2.194 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCCC1 ZINC000116412024 401851991 /nfs/dbraw/zinc/85/19/91/401851991.db2.gz WIBWLELKNNQNMU-HOCLYGCPSA-N 1 0 302.422 2.097 10 0 DEAERO C[C@@H](CNS(=O)(=O)c1c(F)cccc1Cl)[N@H+](C)C1CC1 ZINC000131538326 401852414 /nfs/dbraw/zinc/85/24/14/401852414.db2.gz LZOLHJVOPVEKKG-VIFPVBQESA-N 1 0 320.817 2.240 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@H]1c1ccco1 ZINC000116422161 401852786 /nfs/dbraw/zinc/85/27/86/401852786.db2.gz HMAZGXQDXBQPRS-HNNXBMFYSA-N 1 0 321.421 2.239 10 0 DEAERO CC(C)[NH+](CCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)C(C)C ZINC000116520664 401854302 /nfs/dbraw/zinc/85/43/02/401854302.db2.gz DGVSOMRWPHKUCV-OAHLLOKOSA-N 1 0 321.469 2.038 10 0 DEAERO Cc1ccc(C(C)(C)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116787027 401859438 /nfs/dbraw/zinc/85/94/38/401859438.db2.gz MIMGHJCZXUNNKL-INIZCTEOSA-N 1 0 304.434 2.062 10 0 DEAERO Cc1cc(F)cc2[nH]c(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc21 ZINC000116797038 401859806 /nfs/dbraw/zinc/85/98/06/401859806.db2.gz AIGQQMZNCBDBRN-CYBMUJFWSA-N 1 0 319.380 2.018 10 0 DEAERO C[C@@H](O)CC[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000078781456 401865866 /nfs/dbraw/zinc/86/58/66/401865866.db2.gz OHDTWXFYQYAFRP-MRVPVSSYSA-N 1 0 302.168 2.038 10 0 DEAERO C[C@@H](O)CC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000078781120 401865993 /nfs/dbraw/zinc/86/59/93/401865993.db2.gz MXYLTVYXYXPRFF-MRVPVSSYSA-N 1 0 302.168 2.038 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000117036182 401866927 /nfs/dbraw/zinc/86/69/27/401866927.db2.gz JTUCIAPJLLBRDU-HOCLYGCPSA-N 1 0 305.422 2.028 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C(=O)N1c1ccccc1 ZINC000119092796 401925226 /nfs/dbraw/zinc/92/52/26/401925226.db2.gz KNCVEJHNZXXIOE-CXAGYDPISA-N 1 0 323.396 2.069 10 0 DEAERO CC[C@@](C)(O)C[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000087013609 401925576 /nfs/dbraw/zinc/92/55/76/401925576.db2.gz RRPUFAYFIFFRCF-CYBMUJFWSA-N 1 0 318.211 2.414 10 0 DEAERO C[C@@]1(C(=O)N2CCN(c3ccccc3Cl)CC2)CCC[NH2+]1 ZINC000079511388 401875287 /nfs/dbraw/zinc/87/52/87/401875287.db2.gz JLICTRLSOZGNAW-INIZCTEOSA-N 1 0 307.825 2.131 10 0 DEAERO CCOc1ccc(S(=O)(=O)NC[C@@H](C)[NH+](CC)CC)cc1 ZINC000032073228 401876175 /nfs/dbraw/zinc/87/61/75/401876175.db2.gz ODZZFPYMWBXLIC-CYBMUJFWSA-N 1 0 314.451 2.094 10 0 DEAERO CC(C)(C)c1csc(CC[NH2+]C2CCN(C(N)=O)CC2)n1 ZINC000133325011 401882173 /nfs/dbraw/zinc/88/21/73/401882173.db2.gz WRJIGLWPBSFZLY-UHFFFAOYSA-N 1 0 310.467 2.116 10 0 DEAERO C[C@H]1c2ccccc2O[C@H]1C(=O)NCCC1CC[NH+](C)CC1 ZINC000117778181 401884495 /nfs/dbraw/zinc/88/44/95/401884495.db2.gz VBZGUFCLAVJOJH-SUMWQHHRSA-N 1 0 302.418 2.399 10 0 DEAERO Cc1cc(C)n(Cc2ccc(C(=O)N(C)CC[NH+](C)C)cc2)n1 ZINC000080391317 401889414 /nfs/dbraw/zinc/88/94/14/401889414.db2.gz YJTVSAXMNGLENV-UHFFFAOYSA-N 1 0 314.433 2.182 10 0 DEAERO CCCCOC[C@H](O)C[NH+]1CCN(Cc2cccc(C)c2)CC1 ZINC000034260153 401892660 /nfs/dbraw/zinc/89/26/60/401892660.db2.gz MIUAEIKVXHOMDB-LJQANCHMSA-N 1 0 320.477 2.290 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccco3)o2)[C@H](C)C1 ZINC000081096578 401893956 /nfs/dbraw/zinc/89/39/56/401893956.db2.gz JSGKYQRHYGATQI-CHWSQXEVSA-N 1 0 304.394 2.492 10 0 DEAERO COc1cc(OC)cc([C@H]2CC[N@H+](CCC(=O)NC(C)C)C2)c1 ZINC000083249912 401900714 /nfs/dbraw/zinc/90/07/14/401900714.db2.gz DDTNDHBBWSAVMS-AWEZNQCLSA-N 1 0 320.433 2.408 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(OC)cc1C ZINC000036076760 401901721 /nfs/dbraw/zinc/90/17/21/401901721.db2.gz HFDHEWGQSJNUKP-ZDUSSCGKSA-N 1 0 314.451 2.012 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(F)c(C)c1 ZINC000036076758 401901874 /nfs/dbraw/zinc/90/18/74/401901874.db2.gz HTEOBGLGSFMISL-GFCCVEGCSA-N 1 0 302.415 2.143 10 0 DEAERO CCCC(=O)OC[C@@H](O)C[N@H+](CCOC)Cc1ccccc1C ZINC000036099892 401902575 /nfs/dbraw/zinc/90/25/75/401902575.db2.gz BQGOCEOYOCOTQJ-KRWDZBQOSA-N 1 0 323.433 2.148 10 0 DEAERO CC(C)(C)OC[C@@H](O)C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084496774 401905758 /nfs/dbraw/zinc/90/57/58/401905758.db2.gz HKJSXDZZHVZCEK-MSOLQXFVSA-N 1 0 321.461 2.496 10 0 DEAERO CC[C@]1(C(=O)NC2CCN(c3cccs3)CC2)CCC[NH2+]1 ZINC000134616195 401908289 /nfs/dbraw/zinc/90/82/89/401908289.db2.gz XIVQGUQFZOOSAG-MRXNPFEDSA-N 1 0 307.463 2.365 10 0 DEAERO CCOCCNC(=O)C[N@@H+]1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000084695565 401908888 /nfs/dbraw/zinc/90/88/88/401908888.db2.gz GWTGHDGIIBNBJT-HOCLYGCPSA-N 1 0 320.433 2.026 10 0 DEAERO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC(=O)N(C)C ZINC000037225379 401911361 /nfs/dbraw/zinc/91/13/61/401911361.db2.gz KWILUMLIBRMRPQ-NSHDSACASA-N 1 0 300.349 2.287 10 0 DEAERO O=C(c1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000037503243 401914227 /nfs/dbraw/zinc/91/42/27/401914227.db2.gz ALVVEJBBQCEHFW-ZDUSSCGKSA-N 1 0 309.207 2.369 10 0 DEAERO CC[NH+](CC)[C@H](C)CNc1ncc(Br)c(OC)n1 ZINC000085656690 401917850 /nfs/dbraw/zinc/91/78/50/401917850.db2.gz FOFUJWRODALDTB-SECBINFHSA-N 1 0 317.231 2.390 10 0 DEAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCN(C)c1ccccc1 ZINC000085797143 401919272 /nfs/dbraw/zinc/91/92/72/401919272.db2.gz MORATNYPIIPVMJ-KRWDZBQOSA-N 1 0 303.450 2.456 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(S(C)(=O)=O)cc1 ZINC000085962765 401919806 /nfs/dbraw/zinc/91/98/06/401919806.db2.gz KGMGNJXQJXQMBW-NOLJZWGESA-N 1 0 311.447 2.292 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC([NH+](C)C)CC2)c1C ZINC000134983178 401922509 /nfs/dbraw/zinc/92/25/09/401922509.db2.gz TZWNKCHGRJTNSN-ZDUSSCGKSA-N 1 0 319.449 2.431 10 0 DEAERO CC1(C)CC(NC(=O)[C@@H]2CCCc3n[nH]cc32)CC(C)(C)[NH2+]1 ZINC000135826613 401953731 /nfs/dbraw/zinc/95/37/31/401953731.db2.gz ZAXGEWVAXLXGSW-GFCCVEGCSA-N 1 0 304.438 2.255 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc(C=O)cc1 ZINC000119554859 401959014 /nfs/dbraw/zinc/95/90/14/401959014.db2.gz DDXJPNSFFKCDJM-MRXNPFEDSA-N 1 0 318.417 2.115 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cccnc1OCC(F)F ZINC000089736693 401959428 /nfs/dbraw/zinc/95/94/28/401959428.db2.gz HZTQYJSSALUIPR-LLVKDONJSA-N 1 0 315.364 2.186 10 0 DEAERO C[C@@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000119604148 401961544 /nfs/dbraw/zinc/96/15/44/401961544.db2.gz BYTLBUJNFZEGFE-IVSAIRAKSA-N 1 0 317.433 2.323 10 0 DEAERO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c(C)s1 ZINC000046035167 401964875 /nfs/dbraw/zinc/96/48/75/401964875.db2.gz RXURDJVIVYDVSV-LLVKDONJSA-N 1 0 316.492 2.375 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H]2CC23CC[NH2+]CC3)no1 ZINC000137016015 401977436 /nfs/dbraw/zinc/97/74/36/401977436.db2.gz JHPGLDVVASYHLP-STQMWFEESA-N 1 0 318.421 2.246 10 0 DEAERO CCc1nc(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cs1 ZINC000120159164 401980586 /nfs/dbraw/zinc/98/05/86/401980586.db2.gz TZAWYGQAFANTHX-ZDUSSCGKSA-N 1 0 324.494 2.483 10 0 DEAERO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](CCCCCO)C1 ZINC000135452474 401940258 /nfs/dbraw/zinc/94/02/58/401940258.db2.gz SQPIHMMZOWTRHA-IRXDYDNUSA-N 1 0 305.418 2.428 10 0 DEAERO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](C[C@@H]2CCCO2)C1 ZINC000135459842 401940876 /nfs/dbraw/zinc/94/08/76/401940876.db2.gz VNRCAVXMQWQXIN-ZACQAIPSSA-N 1 0 303.402 2.444 10 0 DEAERO CN1CC[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CC1=O ZINC000044336940 401941725 /nfs/dbraw/zinc/94/17/25/401941725.db2.gz WOMMAAWLINMPDJ-OAHLLOKOSA-N 1 0 315.417 2.089 10 0 DEAERO CCC(C)(CC)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000121224341 402021631 /nfs/dbraw/zinc/02/16/31/402021631.db2.gz BSIHLNKDBGNGFQ-AWEZNQCLSA-N 1 0 311.470 2.365 10 0 DEAERO O=[S@@](C[C@@H]1CCCC[NH2+]1)c1cccc(Br)n1 ZINC000095092392 402025949 /nfs/dbraw/zinc/02/59/49/402025949.db2.gz MMLIHXRXBDAPCP-XXFAHNHDSA-N 1 0 303.225 2.094 10 0 DEAERO COc1ccc(OC)c([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151255355 402026573 /nfs/dbraw/zinc/02/65/73/402026573.db2.gz FIWMOQDZZCEQQW-HUUCEWRRSA-N 1 0 322.449 2.201 10 0 DEAERO CCc1ccc(CC(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)cc1 ZINC000121417034 402034292 /nfs/dbraw/zinc/03/42/92/402034292.db2.gz UCASLTHRBSDDMB-SFHVURJKSA-N 1 0 318.461 2.361 10 0 DEAERO O=C(NC1CC1)[C@@H]1CCCN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000121512546 402040962 /nfs/dbraw/zinc/04/09/62/402040962.db2.gz WYQAVECCJUKTBS-KRWDZBQOSA-N 1 0 310.401 2.320 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCOc2ccccc2)C1 ZINC000052519359 402042950 /nfs/dbraw/zinc/04/29/50/402042950.db2.gz PRHXFDHUVJZEIB-OAHLLOKOSA-N 1 0 305.422 2.239 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000121563033 402044791 /nfs/dbraw/zinc/04/47/91/402044791.db2.gz MDKPKFCNLWKHRH-AVGNSLFASA-N 1 0 324.396 2.121 10 0 DEAERO C[C@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C1CCOCC1 ZINC000121585795 402045334 /nfs/dbraw/zinc/04/53/34/402045334.db2.gz MCTQQRDTMOEXNW-YJBOKZPZSA-N 1 0 318.461 2.338 10 0 DEAERO CCc1nnc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)n1C ZINC000151691900 402051093 /nfs/dbraw/zinc/05/10/93/402051093.db2.gz LATUWYDSAFTJNE-OLZOCXBDSA-N 1 0 304.394 2.059 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(CO)c1 ZINC000121963191 402057914 /nfs/dbraw/zinc/05/79/14/402057914.db2.gz WUTIKRNXYJEVLW-PBHICJAKSA-N 1 0 314.433 2.232 10 0 DEAERO COc1cccc(OCC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000120963251 402008604 /nfs/dbraw/zinc/00/86/04/402008604.db2.gz UFRQONJICQRORS-AWEZNQCLSA-N 1 0 308.422 2.167 10 0 DEAERO c1nn(-c2ccccc2)nc1C[NH2+]C[C@H]1CSCCS1 ZINC000122351828 402074382 /nfs/dbraw/zinc/07/43/82/402074382.db2.gz CSLOBEBRCGORDX-AWEZNQCLSA-N 1 0 306.460 2.206 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000122463387 402079997 /nfs/dbraw/zinc/07/99/97/402079997.db2.gz IKTFDLXGNGJRNJ-CZUORRHYSA-N 1 0 318.417 2.276 10 0 DEAERO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)on1 ZINC000055375965 402081030 /nfs/dbraw/zinc/08/10/30/402081030.db2.gz XVUSVBNCTHGQKX-MNOVXSKESA-N 1 0 317.345 2.390 10 0 DEAERO C[NH2+]CC1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000152241717 402084152 /nfs/dbraw/zinc/08/41/52/402084152.db2.gz RHTRFPVLBSAKFR-UHFFFAOYSA-N 1 0 301.184 2.114 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCOCc2ccccc2)C1 ZINC000122608016 402086527 /nfs/dbraw/zinc/08/65/27/402086527.db2.gz KPCCPDJTKJHABO-WBVHZDCISA-N 1 0 319.449 2.231 10 0 DEAERO COCC[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC(C)C ZINC000122909611 402100718 /nfs/dbraw/zinc/10/07/18/402100718.db2.gz QRCXBIHBTSSAED-CYBMUJFWSA-N 1 0 324.387 2.392 10 0 DEAERO O=C(CSCc1ccncc1)N1CCC([NH+]2CCCC2)CC1 ZINC000058907045 402103183 /nfs/dbraw/zinc/10/31/83/402103183.db2.gz YCQUFEGUFGURCL-UHFFFAOYSA-N 1 0 319.474 2.402 10 0 DEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000097093731 402106622 /nfs/dbraw/zinc/10/66/22/402106622.db2.gz CADQLBAWBKTYGF-BDAKNGLRSA-N 1 0 303.284 2.089 10 0 DEAERO CCO[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C)CC2)C12CCCC2 ZINC000152899433 402115832 /nfs/dbraw/zinc/11/58/32/402115832.db2.gz OMIKTXLUOZEKET-CVEARBPZSA-N 1 0 323.481 2.460 10 0 DEAERO COc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c2cccnc12 ZINC000123230229 402116794 /nfs/dbraw/zinc/11/67/94/402116794.db2.gz NYSFHZKSBWTSFB-LBPRGKRZSA-N 1 0 314.389 2.411 10 0 DEAERO COc1ccc(OC)c(C[N@H+](C[C@H](O)COC(C)C)C2CC2)c1 ZINC000097205998 402117618 /nfs/dbraw/zinc/11/76/18/402117618.db2.gz ISEGOULORJFLAD-INIZCTEOSA-N 1 0 323.433 2.454 10 0 DEAERO Cc1cc(NC(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)on1 ZINC000152934924 402117687 /nfs/dbraw/zinc/11/76/87/402117687.db2.gz APFSTOCWDCPVGE-AWEZNQCLSA-N 1 0 307.394 2.345 10 0 DEAERO COC(=O)c1[nH]c(C)c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1C ZINC000153015761 402122416 /nfs/dbraw/zinc/12/24/16/402122416.db2.gz PTELHMVVMKRKCL-LLVKDONJSA-N 1 0 321.421 2.022 10 0 DEAERO C[NH2+][C@H](C)C(=O)N(C)Cc1cc(Br)ccc1OC ZINC000054074716 402062669 /nfs/dbraw/zinc/06/26/69/402062669.db2.gz FRELQTSAGKUALA-SECBINFHSA-N 1 0 315.211 2.024 10 0 DEAERO CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)CCC2 ZINC000123381821 402124965 /nfs/dbraw/zinc/12/49/65/402124965.db2.gz VNFWMBQDZTYASB-OLZOCXBDSA-N 1 0 309.479 2.393 10 0 DEAERO C[N@@H+]1CCO[C@@H]2CN(c3cc4ccccc4c(Cl)n3)C[C@@H]21 ZINC000153181413 402131669 /nfs/dbraw/zinc/13/16/69/402131669.db2.gz MFTZQEIHKKNVRO-UONOGXRCSA-N 1 0 303.793 2.407 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000123532862 402133061 /nfs/dbraw/zinc/13/30/61/402133061.db2.gz DMHWYYSLEWMBLZ-NSHDSACASA-N 1 0 318.343 2.202 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1ccc(Cl)nc1 ZINC000123557265 402133994 /nfs/dbraw/zinc/13/39/94/402133994.db2.gz OQUJLRDGAZBMLZ-CQSZACIVSA-N 1 0 324.856 2.403 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1ccc(Cl)nc1 ZINC000123557500 402134519 /nfs/dbraw/zinc/13/45/19/402134519.db2.gz OQUJLRDGAZBMLZ-AWEZNQCLSA-N 1 0 324.856 2.403 10 0 DEAERO C[C@@H]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000098032649 402134873 /nfs/dbraw/zinc/13/48/73/402134873.db2.gz SNYOGFCJJPHZBP-HZPDHXFCSA-N 1 0 311.470 2.224 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cccc(C(=O)OC)c1 ZINC000123586516 402136246 /nfs/dbraw/zinc/13/62/46/402136246.db2.gz MPTIXIIOFRPRSY-ZDUSSCGKSA-N 1 0 321.421 2.003 10 0 DEAERO COc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000153045188 402123454 /nfs/dbraw/zinc/12/34/54/402123454.db2.gz RFBJUMDEWWRFGH-CJNGLKHVSA-N 1 0 304.390 2.135 10 0 DEAERO C[C@H](C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)N1CCOCC1 ZINC000123359781 402123953 /nfs/dbraw/zinc/12/39/53/402123953.db2.gz IAKAHRJMYDSNNC-MNOVXSKESA-N 1 0 302.340 2.475 10 0 DEAERO CC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc2c(c1)CCO2 ZINC000123360820 402124061 /nfs/dbraw/zinc/12/40/61/402124061.db2.gz YXOTVLCYTBPUMN-YOEHRIQHSA-N 1 0 304.434 2.383 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)CSC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000123765162 402144784 /nfs/dbraw/zinc/14/47/84/402144784.db2.gz PNPONEWIJXXZAI-ILXRZTDVSA-N 1 0 314.495 2.230 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000153497007 402149557 /nfs/dbraw/zinc/14/95/57/402149557.db2.gz WQWQBIGAKAZJON-HZPDHXFCSA-N 1 0 304.434 2.233 10 0 DEAERO Cc1cccc(CNC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123787850 402146038 /nfs/dbraw/zinc/14/60/38/402146038.db2.gz DOYKTCJACSPCBL-NVXWUHKLSA-N 1 0 303.450 2.026 10 0 DEAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000103284467 402183564 /nfs/dbraw/zinc/18/35/64/402183564.db2.gz HHLQTINFMIJKHL-NWDGAFQWSA-N 1 0 323.824 2.254 10 0 DEAERO Cc1cc(C)nc(SCC(=O)N[C@@H](CC(C)C)C[NH+](C)C)n1 ZINC000068223001 402188028 /nfs/dbraw/zinc/18/80/28/402188028.db2.gz JBPRSIVSZJPVMD-AWEZNQCLSA-N 1 0 324.494 2.278 10 0 DEAERO CCC(CC)(CO)CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000154032759 402188302 /nfs/dbraw/zinc/18/83/02/402188302.db2.gz VLOPXTLQBUHAAD-UHFFFAOYSA-N 1 0 322.449 2.156 10 0 DEAERO COc1cccc(Cl)c1CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000153651890 402160852 /nfs/dbraw/zinc/16/08/52/402160852.db2.gz YHMBXJNVSNEHKP-GFCCVEGCSA-N 1 0 310.825 2.301 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCC(OCC(C)C)CC1)C1CC1 ZINC000102064993 402162442 /nfs/dbraw/zinc/16/24/42/402162442.db2.gz WRTXTRDPNGDQEH-UHFFFAOYSA-N 1 0 311.470 2.317 10 0 DEAERO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000102927446 402175005 /nfs/dbraw/zinc/17/50/05/402175005.db2.gz WHZIJCHFYCOVSB-BRWVUGGUSA-N 1 0 306.450 2.421 10 0 DEAERO CC(C)COc1ccc(CC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000106770338 402215778 /nfs/dbraw/zinc/21/57/78/402215778.db2.gz GSOUKYXLCSWBHY-MRXNPFEDSA-N 1 0 304.434 2.426 10 0 DEAERO CCc1ccc(CN2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)s1 ZINC000154570932 402218877 /nfs/dbraw/zinc/21/88/77/402218877.db2.gz GDXREJNNJVXARB-INIZCTEOSA-N 1 0 323.506 2.295 10 0 DEAERO C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC(C)(C)O1 ZINC000106911786 402222594 /nfs/dbraw/zinc/22/25/94/402222594.db2.gz UMQCXFGULRSQBX-HOCLYGCPSA-N 1 0 304.434 2.185 10 0 DEAERO C[C@@H](CNC(=O)c1ccc(-c2ncon2)cc1)C[NH+]1CCCC1 ZINC000107224615 402228249 /nfs/dbraw/zinc/22/82/49/402228249.db2.gz WMRKSPGZFMUUCA-ZDUSSCGKSA-N 1 0 314.389 2.198 10 0 DEAERO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c1 ZINC000125436532 402232697 /nfs/dbraw/zinc/23/26/97/402232697.db2.gz NIBLYOZBSHBBOK-CXAGYDPISA-N 1 0 306.406 2.085 10 0 DEAERO CCCc1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[nH]n1 ZINC000107667629 402237069 /nfs/dbraw/zinc/23/70/69/402237069.db2.gz SKYLNEVLEWDRED-HNNXBMFYSA-N 1 0 304.438 2.453 10 0 DEAERO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCO2 ZINC000108546615 402256263 /nfs/dbraw/zinc/25/62/63/402256263.db2.gz GKNIFHNDRVIMNI-QWHCGFSZSA-N 1 0 319.405 2.117 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000070170309 402257570 /nfs/dbraw/zinc/25/75/70/402257570.db2.gz VYEARFUBNZCVEF-LBPRGKRZSA-N 1 0 316.854 2.398 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c(C)s1 ZINC000070170243 402258021 /nfs/dbraw/zinc/25/80/21/402258021.db2.gz IHLFZFRNPBMGSG-LBPRGKRZSA-N 1 0 302.465 2.114 10 0 DEAERO [NH3+][C@H]1CCN(c2cc(-c3ccncc3)nc(-c3cccnc3)n2)C1 ZINC000070455883 402260498 /nfs/dbraw/zinc/26/04/98/402260498.db2.gz UKEQZRHUUDYAQY-HNNXBMFYSA-N 1 0 318.384 2.138 10 0 DEAERO Clc1cccc(-c2cc3c(N4CC[NH2+]CC4)nccn3n2)c1 ZINC000070459143 402261372 /nfs/dbraw/zinc/26/13/72/402261372.db2.gz YFRMDGAYFCGSOW-UHFFFAOYSA-N 1 0 313.792 2.459 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000176589984 402321889 /nfs/dbraw/zinc/32/18/89/402321889.db2.gz IRTMHOHGGZQWJI-HUUCEWRRSA-N 1 0 319.453 2.172 10 0 DEAERO COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2Cc2cnn(C)c2C)c1 ZINC000225730620 402322556 /nfs/dbraw/zinc/32/25/56/402322556.db2.gz YUMGFFCEFWEDQF-NVXWUHKLSA-N 1 0 301.390 2.045 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000071098889 402269567 /nfs/dbraw/zinc/26/95/67/402269567.db2.gz BSKKXCKKMWTRIF-KURKYZTESA-N 1 0 314.429 2.466 10 0 DEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccccc1Br ZINC000071190420 402271427 /nfs/dbraw/zinc/27/14/27/402271427.db2.gz AIYGFVNTDDSFPA-LLVKDONJSA-N 1 0 311.223 2.473 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(c2ccc(C(=O)OC)c(OC)n2)C1 ZINC000184573637 402277508 /nfs/dbraw/zinc/27/75/08/402277508.db2.gz FZTSKTWLWGFSKD-CYBMUJFWSA-N 1 0 321.421 2.045 10 0 DEAERO COCCC1(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)CCC1 ZINC000156513831 402283827 /nfs/dbraw/zinc/28/38/27/402283827.db2.gz JCBRUWHERZSWLX-OAHLLOKOSA-N 1 0 311.470 2.367 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)C1CCCC1 ZINC000184616947 402284753 /nfs/dbraw/zinc/28/47/53/402284753.db2.gz DOYHBFMCAXZHIK-ZDUSSCGKSA-N 1 0 303.406 2.181 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)C1CCCC1 ZINC000184631044 402286107 /nfs/dbraw/zinc/28/61/07/402286107.db2.gz DZUNVJFXKZSJEC-GFCCVEGCSA-N 1 0 304.390 2.200 10 0 DEAERO C[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CCCC1 ZINC000184669986 402290044 /nfs/dbraw/zinc/29/00/44/402290044.db2.gz KTKXDSHAHUYREM-ZDUSSCGKSA-N 1 0 317.433 2.495 10 0 DEAERO CCO[C@@H](CCNC(=O)NC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000176272381 402295550 /nfs/dbraw/zinc/29/55/50/402295550.db2.gz KGLYRQZVRAMFMY-HOTGVXAUSA-N 1 0 311.470 2.365 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000176347007 402301560 /nfs/dbraw/zinc/30/15/60/402301560.db2.gz AOLNFCOWDOYJRO-CQSZACIVSA-N 1 0 318.421 2.042 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ccncc1 ZINC000176348878 402301667 /nfs/dbraw/zinc/30/16/67/402301667.db2.gz HCROUIZMTFEJJY-IMJJTQAJSA-N 1 0 302.422 2.411 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000176351566 402302142 /nfs/dbraw/zinc/30/21/42/402302142.db2.gz SGSUXYINURXMSN-JZIBPQBNSA-N 1 0 319.453 2.104 10 0 DEAERO Cc1ccc2ncnc(N[C@H](C)CC[NH+]3CCN(C)CC3)c2c1 ZINC000184827319 402302356 /nfs/dbraw/zinc/30/23/56/402302356.db2.gz YRIDLDOBSWPWCY-OAHLLOKOSA-N 1 0 313.449 2.376 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(O)c(F)c1 ZINC000176390000 402305467 /nfs/dbraw/zinc/30/54/67/402305467.db2.gz FKDPXTQRJAQMFQ-CYBMUJFWSA-N 1 0 309.385 2.157 10 0 DEAERO Cc1cc2c(cc1C)[C@H](C(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CO2 ZINC000184881015 402306426 /nfs/dbraw/zinc/30/64/26/402306426.db2.gz DYPUKQQRGKEOEE-GDBMZVCRSA-N 1 0 300.402 2.086 10 0 DEAERO C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000158555125 402308302 /nfs/dbraw/zinc/30/83/02/402308302.db2.gz HMBHCGFAVVQTKL-WMLDXEAASA-N 1 0 304.434 2.468 10 0 DEAERO O=C(Nc1ccccc1)C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000158602916 402308741 /nfs/dbraw/zinc/30/87/41/402308741.db2.gz UATIRAOOVCBXOQ-ZDUSSCGKSA-N 1 0 316.323 2.260 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)s1 ZINC000176438012 402309456 /nfs/dbraw/zinc/30/94/56/402309456.db2.gz VZHSWCKFWNFPOJ-MWLCHTKSSA-N 1 0 311.451 2.371 10 0 DEAERO CCc1ccc(NC(=O)N2CC[NH+]([C@H](CC)CO)CC2)cc1F ZINC000158714835 402310791 /nfs/dbraw/zinc/31/07/91/402310791.db2.gz RMMQEOYDRKZTQS-OAHLLOKOSA-N 1 0 323.412 2.309 10 0 DEAERO CC[N@H+](CCNC(=O)c1sc([C@@H](C)OC)nc1C)C1CC1 ZINC000176458351 402311318 /nfs/dbraw/zinc/31/13/18/402311318.db2.gz DGEBBFPMZOJJRX-LLVKDONJSA-N 1 0 311.451 2.373 10 0 DEAERO CCCc1noc(CCCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000158854578 402312857 /nfs/dbraw/zinc/31/28/57/402312857.db2.gz FWDTXIUIVXSLSW-KBPBESRZSA-N 1 0 322.453 2.190 10 0 DEAERO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@](C)(O)C(C)C)C2)nc1 ZINC000184966129 402313128 /nfs/dbraw/zinc/31/31/28/402313128.db2.gz HCPGIRWSAOVSAS-QAPCUYQASA-N 1 0 319.449 2.448 10 0 DEAERO Cn1cc(-c2cc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)on2)cn1 ZINC000185026908 402318054 /nfs/dbraw/zinc/31/80/54/402318054.db2.gz DZQVKTUJGWNQMX-RHSMWYFYSA-N 1 0 316.405 2.202 10 0 DEAERO CCS(=O)(=O)NCCNc1c(C)c[nH+]c2c(C)cccc12 ZINC000185291087 402341561 /nfs/dbraw/zinc/34/15/61/402341561.db2.gz XBRQDMIYZPFHFM-UHFFFAOYSA-N 1 0 307.419 2.203 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C)cc1C ZINC000176894826 402347411 /nfs/dbraw/zinc/34/74/11/402347411.db2.gz BJICERXQZOWZDD-OAHLLOKOSA-N 1 0 317.433 2.185 10 0 DEAERO CN(CC[N@H+](C)C1CC1)C(=O)NCCCc1cccc(F)c1 ZINC000185371392 402347835 /nfs/dbraw/zinc/34/78/35/402347835.db2.gz QQEBADNYVKNZJO-UHFFFAOYSA-N 1 0 307.413 2.494 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1c(C)cccc1C ZINC000176905508 402348596 /nfs/dbraw/zinc/34/85/96/402348596.db2.gz KLGLCYXETWLOBC-HNNXBMFYSA-N 1 0 317.433 2.185 10 0 DEAERO C[C@H]1CN(C2CC[NH+](CCN(C)c3ccccc3)CC2)CCO1 ZINC000177280052 402387261 /nfs/dbraw/zinc/38/72/61/402387261.db2.gz BJCMUPHGXDTYFI-KRWDZBQOSA-N 1 0 317.477 2.308 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COc1cccc(C(C)=O)c1 ZINC000176985322 402356846 /nfs/dbraw/zinc/35/68/46/402356846.db2.gz VXISDMIRHIWUMP-INIZCTEOSA-N 1 0 318.417 2.211 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000177007793 402358745 /nfs/dbraw/zinc/35/87/45/402358745.db2.gz SSFZJLPMPGPXJA-XQQFMLRXSA-N 1 0 323.462 2.468 10 0 DEAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3ccnc3)nc2)cn1 ZINC000177118243 402371758 /nfs/dbraw/zinc/37/17/58/402371758.db2.gz GCUYZJGKZGQYRZ-INIZCTEOSA-N 1 0 308.389 2.338 10 0 DEAERO C[C@@H](c1ccccn1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000177151222 402375674 /nfs/dbraw/zinc/37/56/74/402375674.db2.gz RYOZZXYBFHETRT-DLBZAZTESA-N 1 0 302.466 2.245 10 0 DEAERO Cc1cnn(CCCCC[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177258521 402386199 /nfs/dbraw/zinc/38/61/99/402386199.db2.gz IDMHKRJPEMTBJJ-QZTJIDSGSA-N 1 0 320.481 2.014 10 0 DEAERO COC[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1)OC ZINC000227707895 402333259 /nfs/dbraw/zinc/33/32/59/402333259.db2.gz MYKHJTJLZFQOLU-SNVBAGLBSA-N 1 0 306.175 2.339 10 0 DEAERO CC(C)c1csc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000236873526 402386617 /nfs/dbraw/zinc/38/66/17/402386617.db2.gz XRYVHMWSUZKSCW-UHFFFAOYSA-N 1 0 320.422 2.035 10 0 DEAERO O=C([C@H]1CCCc2n[nH]cc21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000177365754 402394989 /nfs/dbraw/zinc/39/49/89/402394989.db2.gz QQSXITDYHCGOLK-HNNXBMFYSA-N 1 0 316.449 2.307 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cccc(NC(=O)NC(C)C)c2)CC1 ZINC000237095657 402394988 /nfs/dbraw/zinc/39/49/88/402394988.db2.gz KTRQOKXHAIBHGG-UHFFFAOYSA-N 1 0 318.421 2.041 10 0 DEAERO C[NH2+]C[C@@H](C)C(=O)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000237165157 402397485 /nfs/dbraw/zinc/39/74/85/402397485.db2.gz LURWWXFNKQDRII-CQSZACIVSA-N 1 0 304.434 2.332 10 0 DEAERO C[C@]1(Cc2ccccc2)CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000186057398 402398430 /nfs/dbraw/zinc/39/84/30/402398430.db2.gz ONQINMPGUREDEG-IEBWSBKVSA-N 1 0 316.445 2.067 10 0 DEAERO CC(C)NC(=O)CC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186089660 402400512 /nfs/dbraw/zinc/40/05/12/402400512.db2.gz UQAZQOLDLLRCGR-QGZVFWFLSA-N 1 0 304.434 2.235 10 0 DEAERO COc1ccc2c(CC(=O)NCC[C@@H]3CCC[NH2+]C3)coc2c1 ZINC000237268294 402401755 /nfs/dbraw/zinc/40/17/55/402401755.db2.gz RECLSSWKZGNFKM-ZDUSSCGKSA-N 1 0 316.401 2.490 10 0 DEAERO COc1ccccc1[C@@H](O)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000186122951 402403245 /nfs/dbraw/zinc/40/32/45/402403245.db2.gz OGKJEQVBMCCDHD-HNNXBMFYSA-N 1 0 307.390 2.004 10 0 DEAERO Cc1cc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1F ZINC000177446958 402403393 /nfs/dbraw/zinc/40/33/93/402403393.db2.gz BEFGNCLGCYTSCR-CQSZACIVSA-N 1 0 322.424 2.299 10 0 DEAERO CCC[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000186139576 402405033 /nfs/dbraw/zinc/40/50/33/402405033.db2.gz RBIXTBLTCQFEEY-HZPDHXFCSA-N 1 0 311.470 2.461 10 0 DEAERO COC(=O)c1coc(C(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000186148912 402405407 /nfs/dbraw/zinc/40/54/07/402405407.db2.gz RACVOLQLFIJJJB-UHFFFAOYSA-N 1 0 316.357 2.058 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000162112736 402409844 /nfs/dbraw/zinc/40/98/44/402409844.db2.gz KEUKKZLVCHRPLP-KBPBESRZSA-N 1 0 311.470 2.364 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000177509890 402410592 /nfs/dbraw/zinc/41/05/92/402410592.db2.gz CYJGISHQSIBFRU-UONOGXRCSA-N 1 0 317.433 2.094 10 0 DEAERO CCC[C@H](C(=O)N[C@H](C)c1nc2ccccc2n1C)[NH+](C)C ZINC000162209336 402413369 /nfs/dbraw/zinc/41/33/69/402413369.db2.gz JUNHWPTWAUKUFK-IUODEOHRSA-N 1 0 302.422 2.481 10 0 DEAERO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000162278435 402415058 /nfs/dbraw/zinc/41/50/58/402415058.db2.gz DMEKMGXYTBLISE-FZKQIMNGSA-N 1 0 320.433 2.156 10 0 DEAERO CC(C)OCC[NH+]1CCC(NC(=O)NCC2(C)CCC2)CC1 ZINC000177590403 402418536 /nfs/dbraw/zinc/41/85/36/402418536.db2.gz FPUDACCWZVYFOD-UHFFFAOYSA-N 1 0 311.470 2.365 10 0 DEAERO CC(=O)c1cc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)n(C)c1 ZINC000186295457 402418724 /nfs/dbraw/zinc/41/87/24/402418724.db2.gz WFYCUYSJANJYEX-ZDUSSCGKSA-N 1 0 305.422 2.222 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(N2CCC(O)CC2)cc1)[NH+](C)C ZINC000162441201 402420047 /nfs/dbraw/zinc/42/00/47/402420047.db2.gz ZSZAUDFGWDNSHV-QGZVFWFLSA-N 1 0 319.449 2.317 10 0 DEAERO COC(C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1)OC ZINC000162493202 402422264 /nfs/dbraw/zinc/42/22/64/402422264.db2.gz BDOPENGCHQUZBT-AWEZNQCLSA-N 1 0 316.405 2.270 10 0 DEAERO COC(=O)c1coc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000186376671 402426993 /nfs/dbraw/zinc/42/69/93/402426993.db2.gz DSJKZUZMUOQQPA-GFCCVEGCSA-N 1 0 308.378 2.061 10 0 DEAERO O=C(C[C@H]1CSCC[NH2+]1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000238078995 402436879 /nfs/dbraw/zinc/43/68/79/402436879.db2.gz FETUMKVSKGLOKZ-ZFWWWQNUSA-N 1 0 312.479 2.032 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CCN1C ZINC000177852674 402441354 /nfs/dbraw/zinc/44/13/54/402441354.db2.gz FTATZEDQIBTBJI-CRAIPNDOSA-N 1 0 315.461 2.364 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1F ZINC000177314275 402390564 /nfs/dbraw/zinc/39/05/64/402390564.db2.gz MPRVZAFGBADFFG-KGLIPLIRSA-N 1 0 305.397 2.323 10 0 DEAERO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000185957444 402393060 /nfs/dbraw/zinc/39/30/60/402393060.db2.gz BLBVBAYQDPDJPT-INIZCTEOSA-N 1 0 323.824 2.399 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)NC2CC[NH+](C)CC2)no1 ZINC000177350403 402393906 /nfs/dbraw/zinc/39/39/06/402393906.db2.gz WWFMXJRMJNHMHU-ZDUSSCGKSA-N 1 0 321.425 2.134 10 0 DEAERO C[C@H](CNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCO1)c1ccccc1 ZINC000246107397 402510586 /nfs/dbraw/zinc/51/05/86/402510586.db2.gz LAJOVNYKZAADKO-HLLBOEOZSA-N 1 0 304.434 2.406 10 0 DEAERO C[C@@]1(O)CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000178021923 402453269 /nfs/dbraw/zinc/45/32/69/402453269.db2.gz YAXJUEFJVQIWKL-IINYFYTJSA-N 1 0 320.216 2.190 10 0 DEAERO C[C@]1(O)CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000178021912 402453421 /nfs/dbraw/zinc/45/34/21/402453421.db2.gz YAXJUEFJVQIWKL-HZMBPMFUSA-N 1 0 320.216 2.190 10 0 DEAERO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000245402508 402456562 /nfs/dbraw/zinc/45/65/62/402456562.db2.gz IHKDOMDCSSWEDV-BYNSBNAKSA-N 1 0 310.438 2.049 10 0 DEAERO CC(C)COC[C@H](O)CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000245407122 402457239 /nfs/dbraw/zinc/45/72/39/402457239.db2.gz ZOQBSAHHUWMNLX-CGTJXYLNSA-N 1 0 307.434 2.482 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCS1 ZINC000164391051 402461578 /nfs/dbraw/zinc/46/15/78/402461578.db2.gz ONGQDLYEPGGRHX-JKSUJKDBSA-N 1 0 321.490 2.354 10 0 DEAERO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000245471222 402463900 /nfs/dbraw/zinc/46/39/00/402463900.db2.gz NRRZFULLJIIWEE-ZOBUZTSGSA-N 1 0 319.449 2.151 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](COC)c1ccccc1 ZINC000245468314 402463907 /nfs/dbraw/zinc/46/39/07/402463907.db2.gz KOQKWWQUYONUTH-IAGOWNOFSA-N 1 0 319.449 2.500 10 0 DEAERO COCCOc1cccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000245553525 402469779 /nfs/dbraw/zinc/46/97/79/402469779.db2.gz FROIIDCMIVYCDM-KRWDZBQOSA-N 1 0 304.434 2.382 10 0 DEAERO O=C1NCC[C@H]1[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000178201795 402470437 /nfs/dbraw/zinc/47/04/37/402470437.db2.gz BVNVEBPUAZPXAF-MRXNPFEDSA-N 1 0 301.365 2.375 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccccc1SC ZINC000186955559 402473916 /nfs/dbraw/zinc/47/39/16/402473916.db2.gz XTNKLFZGPXOMPQ-LBPRGKRZSA-N 1 0 316.492 2.417 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)OCc1ccccc1 ZINC000245602625 402474031 /nfs/dbraw/zinc/47/40/31/402474031.db2.gz GJYIOXNTROLQFM-RDJZCZTQSA-N 1 0 302.418 2.288 10 0 DEAERO COCCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245621105 402474253 /nfs/dbraw/zinc/47/42/53/402474253.db2.gz FBVNBHSJKFPKBW-JKSUJKDBSA-N 1 0 305.422 2.158 10 0 DEAERO CS[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245629513 402474985 /nfs/dbraw/zinc/47/49/85/402474985.db2.gz HIZKFQBDCKMSLW-YUELXQCFSA-N 1 0 307.463 2.483 10 0 DEAERO [NH3+]C1(C(=O)Nc2cccc(-n3ccnc3)c2)Cc2ccccc2C1 ZINC000165448083 402476226 /nfs/dbraw/zinc/47/62/26/402476226.db2.gz PLVMFAOYDUUYPK-UHFFFAOYSA-N 1 0 318.380 2.307 10 0 DEAERO O[C@@H](COCc1ccc2c(c1)OCO2)C[N@@H+]1CCCC2(CC2)C1 ZINC000187002133 402477096 /nfs/dbraw/zinc/47/70/96/402477096.db2.gz BHGAJGWRITVFHF-OAHLLOKOSA-N 1 0 319.401 2.169 10 0 DEAERO C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)CC1(O)CCOCC1 ZINC000187059945 402480225 /nfs/dbraw/zinc/48/02/25/402480225.db2.gz 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O[C@H](C[NH+]1CCC(C2OCCO2)CC1)c1cc(F)ccc1F ZINC000171237780 402569708 /nfs/dbraw/zinc/56/97/08/402569708.db2.gz KAHGMQYQTGIKPK-OAHLLOKOSA-N 1 0 313.344 2.083 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(-n2ccnc2)nc1 ZINC000246193228 402517310 /nfs/dbraw/zinc/51/73/10/402517310.db2.gz XFAZWCACISSLLF-IRXDYDNUSA-N 1 0 311.433 2.326 10 0 DEAERO Cc1ccccc1CS(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000188223538 402517521 /nfs/dbraw/zinc/51/75/21/402517521.db2.gz NEYJQTLYWPYOLQ-INIZCTEOSA-N 1 0 312.479 2.391 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)c1 ZINC000246256048 402520779 /nfs/dbraw/zinc/52/07/79/402520779.db2.gz SYVQDDPBAFEEJN-QWHCGFSZSA-N 1 0 314.426 2.237 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(CCOC)CC2)[C@@H](C)C1 ZINC000246296206 402523533 /nfs/dbraw/zinc/52/35/33/402523533.db2.gz ABSJGLHMYOVIMQ-LSDHHAIUSA-N 1 0 311.470 2.175 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000246324707 402525419 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C[C@@H](C(=O)NCc1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172804932 402676459 /nfs/dbraw/zinc/67/64/59/402676459.db2.gz LUGVRECEXWTHIL-WMLDXEAASA-N 1 0 319.424 2.001 10 0 DEAERO C[C@@H]1C[C@H](N(C)Cc2nccn2CC(F)(F)F)CC[N@@H+]1C ZINC000172842818 402678114 /nfs/dbraw/zinc/67/81/14/402678114.db2.gz MXCULEMDKIBTTL-VXGBXAGGSA-N 1 0 304.360 2.360 10 0 DEAERO Cc1nc(CC2CC2)sc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000191571659 402679041 /nfs/dbraw/zinc/67/90/41/402679041.db2.gz QXSTWFBAIGUTAZ-ZDUSSCGKSA-N 1 0 307.463 2.476 10 0 DEAERO CCOC(=O)c1csc(C2CC[NH+](CCC(C)=O)CC2)n1 ZINC000191569137 402679426 /nfs/dbraw/zinc/67/94/26/402679426.db2.gz YVZDEYQOXKFALU-UHFFFAOYSA-N 1 0 310.419 2.478 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CS[C@@H](C)C(C)C)C1 ZINC000172971285 402681520 /nfs/dbraw/zinc/68/15/20/402681520.db2.gz IGJUXBTUKHAWKD-LSDHHAIUSA-N 1 0 316.511 2.237 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182330993 402681778 /nfs/dbraw/zinc/68/17/78/402681778.db2.gz BMXRLUPEUQQYHT-UKRRQHHQSA-N 1 0 307.442 2.377 10 0 DEAERO CC[C@H]1C[N@H+](C[C@H](O)CCc2ccccc2)CCN1CCOC ZINC000182341784 402682236 /nfs/dbraw/zinc/68/22/36/402682236.db2.gz OTLTVZWOJRZHPF-RBUKOAKNSA-N 1 0 320.477 2.023 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(C)C)nn1C ZINC000173493090 402699919 /nfs/dbraw/zinc/69/99/19/402699919.db2.gz DNFBFPVLJQOERT-UONOGXRCSA-N 1 0 304.438 2.242 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)NCCC[NH+]1CCCCC1 ZINC000191951243 402700401 /nfs/dbraw/zinc/70/04/01/402700401.db2.gz ZNKGBYHKEKSHCB-UHFFFAOYSA-N 1 0 310.467 2.441 10 0 DEAERO Cc1ccsc1C[N@@H+]1CCC[C@H](CO)CCNC(=O)CC1 ZINC000257185704 402701328 /nfs/dbraw/zinc/70/13/28/402701328.db2.gz XNWUGQVTZFQVNH-AWEZNQCLSA-N 1 0 310.463 2.157 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCOCC(C)C ZINC000173550151 402702737 /nfs/dbraw/zinc/70/27/37/402702737.db2.gz XUWKFPPGTCIXKR-HZPDHXFCSA-N 1 0 311.470 2.317 10 0 DEAERO CCCCc1nc(CN2CC[NH+](C[C@H](O)CC)CC2)cs1 ZINC000174077053 402725744 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CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000192500779 402732859 /nfs/dbraw/zinc/73/28/59/402732859.db2.gz ZSYGWLSNDKIOLC-YPUXRLJUSA-N 1 0 307.438 2.025 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000174239309 402733210 /nfs/dbraw/zinc/73/32/10/402733210.db2.gz RQPDGBVJNMGUJL-NWDGAFQWSA-N 1 0 323.441 2.212 10 0 DEAERO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)C[C@H]2C1 ZINC000192530984 402735538 /nfs/dbraw/zinc/73/55/38/402735538.db2.gz YBKAQMGUDVSAKD-RQJABVFESA-N 1 0 306.356 2.088 10 0 DEAERO COc1ccc2nc(C(=O)N(C)C3CC[NH+](C)CC3)ccc2c1 ZINC000192553115 402736572 /nfs/dbraw/zinc/73/65/72/402736572.db2.gz KWSSSUQSPQWPKE-UHFFFAOYSA-N 1 0 313.401 2.410 10 0 DEAERO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000192622350 402740951 /nfs/dbraw/zinc/74/09/51/402740951.db2.gz OJFLHIJTDYFIIQ-UONOGXRCSA-N 1 0 315.421 2.223 10 0 DEAERO CCCOc1ccc(CNC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000183138603 402742071 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COc1cc(-c2ccccc2)ccc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263316709 402758005 /nfs/dbraw/zinc/75/80/05/402758005.db2.gz ZNKTUJMSGLCSBM-MSOLQXFVSA-N 1 0 312.413 2.032 10 0 DEAERO C[C@@H](OC1CCCCCC1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263318519 402758321 /nfs/dbraw/zinc/75/83/21/402758321.db2.gz ZVWCKBLWZSXJOO-TZMCWYRMSA-N 1 0 308.426 2.446 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCCc2ccccn2)C1 ZINC000183344695 402758498 /nfs/dbraw/zinc/75/84/98/402758498.db2.gz KFYSFLFNEFFYIH-NVXWUHKLSA-N 1 0 316.449 2.140 10 0 DEAERO CN1CC[NH+]([C@@H]2CCCCN(Cc3ccc(Cl)nc3)C2)CC1 ZINC000174881306 402760660 /nfs/dbraw/zinc/76/06/60/402760660.db2.gz URDRUQKFIGJNTK-MRXNPFEDSA-N 1 0 322.884 2.337 10 0 DEAERO CN1CCN([C@@H]2CCCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000174878139 402761151 /nfs/dbraw/zinc/76/11/51/402761151.db2.gz WSFULJGVHKHPGM-GOSISDBHSA-N 1 0 305.441 2.428 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)NCC2(CC)CC2)C[C@H]1CC ZINC000174961465 402766859 /nfs/dbraw/zinc/76/68/59/402766859.db2.gz LWBAKHRXKFLJBE-OAHLLOKOSA-N 1 0 311.470 2.319 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2c1OCCO2 ZINC000174962936 402766873 /nfs/dbraw/zinc/76/68/73/402766873.db2.gz SOXVLFSLXKHSQI-UONOGXRCSA-N 1 0 316.401 2.157 10 0 DEAERO C[NH+]1CCN(c2cc(C(=O)N[C@H]3CCCC3(C)C)ccn2)CC1 ZINC000174979837 402768731 /nfs/dbraw/zinc/76/87/31/402768731.db2.gz DVJHXVDYXOYTLR-HNNXBMFYSA-N 1 0 316.449 2.142 10 0 DEAERO C[C@H]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000194051210 402782553 /nfs/dbraw/zinc/78/25/53/402782553.db2.gz LQWYGQNXWSSKQA-HOTGVXAUSA-N 1 0 311.470 2.224 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1ccccc1 ZINC000175047860 402774247 /nfs/dbraw/zinc/77/42/47/402774247.db2.gz VGBVCUIWMLGFOK-ZWKOTPCHSA-N 1 0 315.461 2.204 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C1CC1)C1CCCC1 ZINC000175054434 402775181 /nfs/dbraw/zinc/77/51/81/402775181.db2.gz GTMNBACTCIVRGG-CRAIPNDOSA-N 1 0 319.493 2.479 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCCCCNc1ccccn1 ZINC000183561623 402776055 /nfs/dbraw/zinc/77/60/55/402776055.db2.gz XLZLHPOKAIZHMC-UHFFFAOYSA-N 1 0 313.405 2.165 10 0 DEAERO COc1cccc(OC)c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175104719 402779464 /nfs/dbraw/zinc/77/94/64/402779464.db2.gz QUGAXLBULRNIMJ-OLZOCXBDSA-N 1 0 306.406 2.259 10 0 DEAERO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175236690 402790545 /nfs/dbraw/zinc/79/05/45/402790545.db2.gz AHPMWCSLDPKLFI-QWHCGFSZSA-N 1 0 314.389 2.385 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(N3CCCC3)nc2)C1 ZINC000194340757 402792863 /nfs/dbraw/zinc/79/28/63/402792863.db2.gz UJQBUQAGVSMXHH-OAHLLOKOSA-N 1 0 317.437 2.288 10 0 DEAERO CC(C)OCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000183801903 402798550 /nfs/dbraw/zinc/79/85/50/402798550.db2.gz HVSUIAHQYXDNAR-JKSUJKDBSA-N 1 0 305.422 2.156 10 0 DEAERO CC(C)(C)[NH2+]CCNC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000175397172 402803005 /nfs/dbraw/zinc/80/30/05/402803005.db2.gz BDZLYYWSNLKVML-UHFFFAOYSA-N 1 0 322.359 2.268 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000194702705 402811838 /nfs/dbraw/zinc/81/18/38/402811838.db2.gz ZZCKCKNJGYKDSJ-OAHLLOKOSA-N 1 0 303.406 2.292 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc(F)c(Cl)c1 ZINC000194707139 402811916 /nfs/dbraw/zinc/81/19/16/402811916.db2.gz DSMGSWZKDDRGOT-JTQLQIEISA-N 1 0 300.761 2.068 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc(OC(F)F)cc1 ZINC000194707383 402812006 /nfs/dbraw/zinc/81/20/06/402812006.db2.gz WZQSBTGYKJPZCL-ZDUSSCGKSA-N 1 0 312.360 2.431 10 0 DEAERO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c2cnn(C(C)C)c2n1 ZINC000194715910 402812346 /nfs/dbraw/zinc/81/23/46/402812346.db2.gz AIOVJDQRAYDVHS-ZDUSSCGKSA-N 1 0 315.421 2.145 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000184043064 402813722 /nfs/dbraw/zinc/81/37/22/402813722.db2.gz DCBJGOIVQQTNOH-ZDUSSCGKSA-N 1 0 316.442 2.284 10 0 DEAERO Cc1oc2ccccc2c1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000184081128 402816591 /nfs/dbraw/zinc/81/65/91/402816591.db2.gz ZWWMGWLGBCUKIE-UHFFFAOYSA-N 1 0 316.401 2.318 10 0 DEAERO COCCN1CCC[N@H+](CC[C@@H](C)c2ccccc2)CC1=O ZINC000194846572 402818156 /nfs/dbraw/zinc/81/81/56/402818156.db2.gz RIXWYGFWUUOKKZ-MRXNPFEDSA-N 1 0 304.434 2.361 10 0 DEAERO CCOc1ccc(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000195094385 402831214 /nfs/dbraw/zinc/83/12/14/402831214.db2.gz IJLPXGNUHRFHPB-INIZCTEOSA-N 1 0 302.418 2.325 10 0 DEAERO CCC[C@@H](C(=O)N1CCC[C@H](CC(=O)OC(C)C)C1)[NH+](C)C ZINC000184283594 402832689 /nfs/dbraw/zinc/83/26/89/402832689.db2.gz DNUDAGWIHZYYLC-CABCVRRESA-N 1 0 312.454 2.297 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCc1ccccc1-n1ccnc1 ZINC000184305976 402834448 /nfs/dbraw/zinc/83/44/48/402834448.db2.gz HDELBRMJIWKNIF-UHFFFAOYSA-N 1 0 321.384 2.263 10 0 DEAERO C[C@@H](CNC(=O)N[C@H]1COc2ccccc21)C[NH+]1CCCC1 ZINC000195196469 402836071 /nfs/dbraw/zinc/83/60/71/402836071.db2.gz HXPLWYPGQIWCKS-ZFWWWQNUSA-N 1 0 303.406 2.151 10 0 DEAERO O=C([C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195262396 402839269 /nfs/dbraw/zinc/83/92/69/402839269.db2.gz VHTRFOWIGJMAFV-WVWOOGAGSA-N 1 0 324.346 2.487 10 0 DEAERO COC(=O)c1coc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000183627270 402783323 /nfs/dbraw/zinc/78/33/23/402783323.db2.gz BRLJPFVCAVQDOO-UHFFFAOYSA-N 1 0 320.389 2.014 10 0 DEAERO CNC(=O)[C@@H]([NH2+]CCCc1nc(-c2ccccc2)no1)C(C)C ZINC000183663517 402786479 /nfs/dbraw/zinc/78/64/79/402786479.db2.gz AKBLWSQGNYKHJO-HNNXBMFYSA-N 1 0 316.405 2.029 10 0 DEAERO C[NH+](C)C[C@@H]1CN(CCc2c(F)cccc2Cl)CCO1 ZINC000175204741 402787379 /nfs/dbraw/zinc/78/73/79/402787379.db2.gz JJWVIPDUSABLHH-GFCCVEGCSA-N 1 0 300.805 2.284 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000175202477 402787436 /nfs/dbraw/zinc/78/74/36/402787436.db2.gz MAXACAXGTWJAQV-LSDHHAIUSA-N 1 0 304.438 2.092 10 0 DEAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCOCC1CCC1 ZINC000566536167 292249637 /nfs/dbraw/zinc/24/96/37/292249637.db2.gz NKGFJAHXKMLDAK-CABCVRRESA-N 1 0 311.470 2.223 10 0 DEAERO O=C1NCCN1C1CC[NH+](CCC(Cl)(Cl)Cl)CC1 ZINC000184457758 402845003 /nfs/dbraw/zinc/84/50/03/402845003.db2.gz XOIYLTKRSHNKOY-UHFFFAOYSA-N 1 0 314.644 2.236 10 0 DEAERO CC(C)n1nnnc1CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000195433108 402845599 /nfs/dbraw/zinc/84/55/99/402845599.db2.gz ZOPFHDLGVDRVMF-MRXNPFEDSA-N 1 0 320.485 2.198 10 0 DEAERO CN(C)c1ccnc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000195488170 402847346 /nfs/dbraw/zinc/84/73/46/402847346.db2.gz QDTGMXKEYGRLGF-KRWDZBQOSA-N 1 0 312.417 2.180 10 0 DEAERO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504873 402848200 /nfs/dbraw/zinc/84/82/00/402848200.db2.gz YNCPRGWSJDSAJE-ZDUSSCGKSA-N 1 0 306.454 2.293 10 0 DEAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc2[nH]ccc2c1 ZINC000195527725 402850668 /nfs/dbraw/zinc/85/06/68/402850668.db2.gz AYRZWHMZBFROCP-HNNXBMFYSA-N 1 0 316.405 2.136 10 0 DEAERO O=C(NCCOCC1CCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000566595104 292254114 /nfs/dbraw/zinc/25/41/14/292254114.db2.gz BJWDQRKAWCSBRY-MRXNPFEDSA-N 1 0 309.454 2.073 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)cc(C)n2)C12CCOCC2 ZINC000274400826 403051822 /nfs/dbraw/zinc/05/18/22/403051822.db2.gz FPSDKJARBAGNJF-SJORKVTESA-N 1 0 320.433 2.462 10 0 DEAERO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1nc(C)ccc1O)C1CC1 ZINC000275541583 403104304 /nfs/dbraw/zinc/10/43/04/403104304.db2.gz FMOBBGMJSLIYNS-OAHLLOKOSA-N 1 0 303.406 2.071 10 0 DEAERO OCc1cn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(F)c2)nn1 ZINC000276340105 403165567 /nfs/dbraw/zinc/16/55/67/403165567.db2.gz TVFRIQAERWOWAN-JKSUJKDBSA-N 1 0 304.369 2.183 10 0 DEAERO COc1ccc(F)cc1[C@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170830862 286322337 /nfs/dbraw/zinc/32/23/37/286322337.db2.gz XNDHLKYVIIQQID-AAEUAGOBSA-N 1 0 309.385 2.241 10 0 DEAERO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cnc(C)cn2)C1 ZINC000331194741 403350657 /nfs/dbraw/zinc/35/06/57/403350657.db2.gz WRBOAEZMYBQAPI-LSDHHAIUSA-N 1 0 304.438 2.474 10 0 DEAERO Cc1nnc2ccc(NC[C@@]3([NH+](C)C)CCC[C@@H](C)C3)nn12 ZINC000301070596 403586440 /nfs/dbraw/zinc/58/64/40/403586440.db2.gz GMUAGRNLCQLKTL-MLGOLLRUSA-N 1 0 302.426 2.355 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cncc3C2)[C@H]1c1ccccc1 ZINC000332759186 403613621 /nfs/dbraw/zinc/61/36/21/403613621.db2.gz ZEYJLAYZGWUORE-RYQLBKOJSA-N 1 0 324.428 2.007 10 0 DEAERO Cc1ccc2c(c1C)OC[C@H]2NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000332834920 403623153 /nfs/dbraw/zinc/62/31/53/403623153.db2.gz YFVZBMOAEFTOMV-XJKSGUPXSA-N 1 0 315.417 2.273 10 0 DEAERO C[C@H]1C[NH2+]CCN1C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000333265009 403711127 /nfs/dbraw/zinc/71/11/27/403711127.db2.gz FJNLRBXVIDLILP-LBPRGKRZSA-N 1 0 305.426 2.293 10 0 DEAERO Cc1cc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc[nH+]1 ZINC000302217708 403708770 /nfs/dbraw/zinc/70/87/70/403708770.db2.gz KBVAUQYCUYQJAH-OALUTQOASA-N 1 0 309.413 2.480 10 0 DEAERO Cc1cc2c(cc1NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)OCO2 ZINC000333097754 403665725 /nfs/dbraw/zinc/66/57/25/403665725.db2.gz DIRDVUDPZHMPLB-RYUDHWBXSA-N 1 0 305.378 2.233 10 0 DEAERO Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3CCC(=O)N(C)C3)cc12 ZINC000287876366 403683963 /nfs/dbraw/zinc/68/39/63/403683963.db2.gz YENXQPBUMPRYDX-WDEREUQCSA-N 1 0 306.435 2.215 10 0 DEAERO CSc1ccc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)nc1 ZINC000333171507 403685460 /nfs/dbraw/zinc/68/54/60/403685460.db2.gz PVYWAZVYHRFNEY-UHFFFAOYSA-N 1 0 306.435 2.411 10 0 DEAERO CCc1ncnc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1F ZINC000301953556 403705276 /nfs/dbraw/zinc/70/52/76/403705276.db2.gz JUVHFESZLNLNFQ-CQSZACIVSA-N 1 0 322.428 2.259 10 0 DEAERO COc1nccc2cc(NC(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)ccc21 ZINC000333300921 403720411 /nfs/dbraw/zinc/72/04/11/403720411.db2.gz KHQWRLQNPZQWJL-YGRLFVJLSA-N 1 0 300.362 2.054 10 0 DEAERO CCn1ncc(NC(=O)N[C@@H]2CCCC[NH2+]C2)c1C(F)(F)F ZINC000333313842 403723028 /nfs/dbraw/zinc/72/30/28/403723028.db2.gz MBGLNNZTONRIIY-SECBINFHSA-N 1 0 319.331 2.185 10 0 DEAERO CC(=O)N1CCCC[C@H]1c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000289068157 403823663 /nfs/dbraw/zinc/82/36/63/403823663.db2.gz ITJBMPMAGPMIMF-AWEZNQCLSA-N 1 0 311.345 2.458 10 0 DEAERO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCc3nnnn3CC2)cs1 ZINC000333714878 403829408 /nfs/dbraw/zinc/82/94/08/403829408.db2.gz IWEWIGNBJLPQJU-WDEREUQCSA-N 1 0 306.439 2.309 10 0 DEAERO C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)C[C@H](c2ccc(F)cc2)O1 ZINC000333721815 403830895 /nfs/dbraw/zinc/83/08/95/403830895.db2.gz UTPKBZMZYRJOEN-DAXOMENPSA-N 1 0 321.396 2.049 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCC[C@H]2O)C12CCOCC2 ZINC000249001830 286391342 /nfs/dbraw/zinc/39/13/42/286391342.db2.gz NCSGXTMNVYIGOI-HZMVEIRTSA-N 1 0 311.466 2.491 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)C12CCOCC2 ZINC000186373542 286391347 /nfs/dbraw/zinc/39/13/47/286391347.db2.gz NCSGXTMNVYIGOI-NXOAAHMSSA-N 1 0 311.466 2.491 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)Cn2ccnc2C)C12CCOCC2 ZINC000249025510 286389815 /nfs/dbraw/zinc/38/98/15/286389815.db2.gz RLGUOUMOMUYLEX-BHYGNILZSA-N 1 0 321.465 2.391 10 0 DEAERO C[C@H]1Oc2ccccc2[C@@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333575865 403783755 /nfs/dbraw/zinc/78/37/55/403783755.db2.gz MZLUIEXSDGBYRY-CZUORRHYSA-N 1 0 315.417 2.294 10 0 DEAERO CCO[C@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000333629937 403797316 /nfs/dbraw/zinc/79/73/16/403797316.db2.gz GKXHBVPWBPWVSM-ILXRZTDVSA-N 1 0 309.454 2.118 10 0 DEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000333629944 403797744 /nfs/dbraw/zinc/79/77/44/403797744.db2.gz GKXHBVPWBPWVSM-RRFJBIMHSA-N 1 0 309.454 2.118 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[C@H](c2ccsc2)O1 ZINC000333733022 403837930 /nfs/dbraw/zinc/83/79/30/403837930.db2.gz WLDFUSGBQOUSMI-CTHBEMJXSA-N 1 0 323.462 2.218 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(c3ncnc4sc5c(c43)CCC5)C[C@@H]12 ZINC000333912622 403899253 /nfs/dbraw/zinc/89/92/53/403899253.db2.gz LVOKRHHJEOHJAX-MVWJERBFSA-N 1 0 300.431 2.354 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000295366570 403884438 /nfs/dbraw/zinc/88/44/38/403884438.db2.gz ZOLGPKRSWHLLAA-IAQYHMDHSA-N 1 0 304.390 2.373 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCOC2(C)C)c1 ZINC000295372416 403887388 /nfs/dbraw/zinc/88/73/88/403887388.db2.gz ZZHKMUOPYSMVGD-NHYWBVRUSA-N 1 0 304.390 2.373 10 0 DEAERO c1cc(CN2C[C@@H]3COC[C@H](C2)O3)cc(C[NH+]2CCCCC2)c1 ZINC000411688934 403939790 /nfs/dbraw/zinc/93/97/90/403939790.db2.gz DLVYAFVVGMGXMC-KDURUIRLSA-N 1 0 316.445 2.272 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccccc3[C@@H]2O)C12CCOCC2 ZINC000249044988 286406745 /nfs/dbraw/zinc/40/67/45/286406745.db2.gz VSGJGDDKGOYFAR-FJIDUMEYSA-N 1 0 317.429 2.209 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312299375 403972427 /nfs/dbraw/zinc/97/24/27/403972427.db2.gz NKXWDIKELSKHDX-QMTHXVAHSA-N 1 0 316.854 2.254 10 0 DEAERO OC1CCN(CC[NH2+]Cc2ccsc2Br)CC1 ZINC000321791792 404078035 /nfs/dbraw/zinc/07/80/35/404078035.db2.gz KODQCRFYJQZQRO-UHFFFAOYSA-N 1 0 319.268 2.057 10 0 DEAERO CCn1cc(NC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)cn1 ZINC000369577190 404149917 /nfs/dbraw/zinc/14/99/17/404149917.db2.gz FWLSIPQLBSHINT-LLVKDONJSA-N 1 0 301.394 2.493 10 0 DEAERO Cc1nc([C@H]2CCCN2C[C@@H]2CCO[C@H]2c2ccnn2C)no1 ZINC000328997160 404194998 /nfs/dbraw/zinc/19/49/98/404194998.db2.gz USVKHZVDKLNSGY-NWANDNLSSA-N 1 0 317.393 2.026 10 0 DEAERO C[N@H+](C[C@H]1CCC(C)(C)O1)C1CCN(c2ncccn2)CC1 ZINC000364314413 404344523 /nfs/dbraw/zinc/34/45/23/404344523.db2.gz OMQWTWWINAZHFN-OAHLLOKOSA-N 1 0 304.438 2.335 10 0 DEAERO Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)on1 ZINC000342074260 404349321 /nfs/dbraw/zinc/34/93/21/404349321.db2.gz PJHLPGBXLTYZJO-RDBSUJKOSA-N 1 0 306.410 2.312 10 0 DEAERO CC(C)[C@H](C(=O)N1CCC[C@H](c2nnc[nH]2)C1)[NH+]1CCCCC1 ZINC000364090274 404315796 /nfs/dbraw/zinc/31/57/96/404315796.db2.gz QXGRTPPQLAWZIW-LSDHHAIUSA-N 1 0 319.453 2.021 10 0 DEAERO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(O)c3)n1)OC2 ZINC000329698327 404425674 /nfs/dbraw/zinc/42/56/74/404425674.db2.gz YUPKPQFSTZLBSZ-XJKSGUPXSA-N 1 0 301.346 2.368 10 0 DEAERO Cc1[nH]nc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1C ZINC000329697201 404425789 /nfs/dbraw/zinc/42/57/89/404425789.db2.gz YDVXVVFXDIDUQZ-ABAIWWIYSA-N 1 0 303.366 2.002 10 0 DEAERO CC1(C)C[N@H+](CCCOCC(F)(F)F)C[C@]2(CCOC2)O1 ZINC000373795787 404591745 /nfs/dbraw/zinc/59/17/45/404591745.db2.gz GEBKKGKQRGJTNV-ZDUSSCGKSA-N 1 0 311.344 2.225 10 0 DEAERO c1ccc(C[N@@H+]2CC[C@H](N3CCO[C@]4(CCCOC4)C3)C2)cc1 ZINC000297285858 404534314 /nfs/dbraw/zinc/53/43/14/404534314.db2.gz ACTSGTHRVZVUGL-RBUKOAKNSA-N 1 0 316.445 2.142 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)CN1CCOCC1)CC2 ZINC000364907452 404544042 /nfs/dbraw/zinc/54/40/42/404544042.db2.gz XZEWOYVRAYWMJN-HNNXBMFYSA-N 1 0 316.445 2.011 10 0 DEAERO C[C@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374063021 404683413 /nfs/dbraw/zinc/68/34/13/404683413.db2.gz BCMSPRVUZNSOLO-DEDQRHPVSA-N 1 0 319.453 2.331 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@@H+](CC[C@H]1CCOC1=O)CC2 ZINC000374329578 404704685 /nfs/dbraw/zinc/70/46/85/404704685.db2.gz MAOTXIJLDCPWBS-HNNXBMFYSA-N 1 0 301.386 2.243 10 0 DEAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCS(=O)(=O)N(C)C ZINC000353095012 404742287 /nfs/dbraw/zinc/74/22/87/404742287.db2.gz OULBEBBOVBKARI-ZRDIBKRKSA-N 1 0 316.854 2.224 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000358604977 404768582 /nfs/dbraw/zinc/76/85/82/404768582.db2.gz MTGKRFHUYRZGQE-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO OC1(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)CCOCC1 ZINC000375401388 404722908 /nfs/dbraw/zinc/72/29/08/404722908.db2.gz GRKWBHVMUXJHMZ-SFHVURJKSA-N 1 0 303.402 2.049 10 0 DEAERO CCCCOC[C@@H](O)C[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000376083612 404800104 /nfs/dbraw/zinc/80/01/04/404800104.db2.gz ORRFWLDUIOUWQT-INIZCTEOSA-N 1 0 307.434 2.273 10 0 DEAERO C[C@](O)(C(=O)N1CCc2c1cccc2C[NH+]1CCCC1)C1CC1 ZINC000376170369 404812846 /nfs/dbraw/zinc/81/28/46/404812846.db2.gz CHJYRIZLECGXQE-LJQANCHMSA-N 1 0 314.429 2.333 10 0 DEAERO OC1(C[N@@H+]2CCC[C@H](n3cnc4ccccc43)C2)CCOCC1 ZINC000366687259 404831864 /nfs/dbraw/zinc/83/18/64/404831864.db2.gz HOTHNXDJHBBHKP-HNNXBMFYSA-N 1 0 315.417 2.215 10 0 DEAERO CC(=O)c1ccccc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378235954 404903970 /nfs/dbraw/zinc/90/39/70/404903970.db2.gz XVGNQGVINQCKPK-PBHICJAKSA-N 1 0 300.402 2.493 10 0 DEAERO COC(=O)c1cc(C[NH2+]C2(CCO)CCCCC2)n(C)c1C ZINC000360953286 404861226 /nfs/dbraw/zinc/86/12/26/404861226.db2.gz GGDHJKMMVVVNSK-UHFFFAOYSA-N 1 0 308.422 2.295 10 0 DEAERO CC(C)C(=O)NC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435128057 404957918 /nfs/dbraw/zinc/95/79/18/404957918.db2.gz BHSXPDAQCXWVCA-UHFFFAOYSA-N 1 0 316.405 2.406 10 0 DEAERO COC[C@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451294745 404943774 /nfs/dbraw/zinc/94/37/74/404943774.db2.gz KXIKCLRTOFJLKK-SNVBAGLBSA-N 1 0 324.368 2.349 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)N1CCC12CCC2)Cc1ccccc1 ZINC000435580039 404991110 /nfs/dbraw/zinc/99/11/10/404991110.db2.gz OKBIVWQHYUINOD-INIZCTEOSA-N 1 0 301.434 2.497 10 0 DEAERO CC[N@@H+]1C[C@H](C)N(Cc2nc3oc(C)c(C)c3c(N)n2)C[C@H]1C ZINC000408048647 405098284 /nfs/dbraw/zinc/09/82/84/405098284.db2.gz ZABMLCLISHIGME-MNOVXSKESA-N 1 0 317.437 2.336 10 0 DEAERO C[C@]1(O)CCC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000408056011 405099794 /nfs/dbraw/zinc/09/97/94/405099794.db2.gz ZWGITWBYXJDMGL-WMZOPIPTSA-N 1 0 302.418 2.027 10 0 DEAERO Nc1cccnc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390766594 405047687 /nfs/dbraw/zinc/04/76/87/405047687.db2.gz FRTFUNFLQZYSKN-OAHLLOKOSA-N 1 0 310.401 2.058 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)NCC2C[C@@H](C)O[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000408181478 405132589 /nfs/dbraw/zinc/13/25/89/405132589.db2.gz CYDPOVDIXSAITC-RGCMKSIDSA-N 1 0 309.454 2.114 10 0 DEAERO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000408072402 405104236 /nfs/dbraw/zinc/10/42/36/405104236.db2.gz SDAUFWWBOFIBTQ-GJZGRUSLSA-N 1 0 302.484 2.407 10 0 DEAERO COc1ccc2c(C[N@@H+]3CCOCC[C@@H]3C)cc(=O)oc2c1 ZINC000367663757 405117804 /nfs/dbraw/zinc/11/78/04/405117804.db2.gz RQBYLNLUUIHBLN-LBPRGKRZSA-N 1 0 303.358 2.412 10 0 DEAERO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361588000 405148111 /nfs/dbraw/zinc/14/81/11/405148111.db2.gz DBTDZFIUCVUKJI-HKUYNNGSSA-N 1 0 317.429 2.255 10 0 DEAERO C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)CCCCC1 ZINC000408224699 405145184 /nfs/dbraw/zinc/14/51/84/405145184.db2.gz QFOLQICXGVWRKU-CQSZACIVSA-N 1 0 319.453 2.370 10 0 DEAERO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2nnc3n2CCCC3)C1 ZINC000408352802 405183560 /nfs/dbraw/zinc/18/35/60/405183560.db2.gz VCODOZUDELWXOO-DYVFJYSZSA-N 1 0 306.454 2.281 10 0 DEAERO CC(C)[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc32)CC[N@@H+]1C ZINC000408356825 405184320 /nfs/dbraw/zinc/18/43/20/405184320.db2.gz HBORMFPDUCURBP-INIZCTEOSA-N 1 0 313.401 2.353 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000408404813 405197593 /nfs/dbraw/zinc/19/75/93/405197593.db2.gz ARCJUPIJNITBEO-ZDUSSCGKSA-N 1 0 318.417 2.272 10 0 DEAERO C[C@H]1CN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)[C@@H](C)CN1C ZINC000408410005 405199664 /nfs/dbraw/zinc/19/96/64/405199664.db2.gz HUHLBXHZSWZGGL-RYUDHWBXSA-N 1 0 318.417 2.270 10 0 DEAERO Cc1csc2c1ncnc2N1CCN(c2nccn2C)CC1 ZINC000408331255 405175430 /nfs/dbraw/zinc/17/54/30/405175430.db2.gz QEHWTHIRAPQVTN-UHFFFAOYSA-N 1 0 314.418 2.060 10 0 DEAERO CC(=O)N[C@H](C)C1CC[NH+](CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000408339315 405177658 /nfs/dbraw/zinc/17/76/58/405177658.db2.gz PHRANOFWNMEDPD-RBSFLKMASA-N 1 0 323.481 2.013 10 0 DEAERO COC1([C@H](C)[NH2+][C@@H]2CCN(CC3CCCC3)C2)CCOCC1 ZINC000453124642 405285420 /nfs/dbraw/zinc/28/54/20/405285420.db2.gz SCFAYPVKGAWPPK-DOTOQJQBSA-N 1 0 310.482 2.425 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](C[C@H](C)c2ccc(F)cc2)CC1 ZINC000437970723 405226520 /nfs/dbraw/zinc/22/65/20/405226520.db2.gz NOOMUAFTKVDDLW-AWEZNQCLSA-N 1 0 322.424 2.498 10 0 DEAERO COc1ccccc1/C=C\CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000438257997 405239879 /nfs/dbraw/zinc/23/98/79/405239879.db2.gz RNOMRCGDSIQORN-GQSKFBFOSA-N 1 0 318.461 2.485 10 0 DEAERO C[N@H+](CCCO)CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000440949818 405331413 /nfs/dbraw/zinc/33/14/13/405331413.db2.gz AWJCVEQFPCLKKO-KRWDZBQOSA-N 1 0 318.442 2.268 10 0 DEAERO c1cc(-c2noc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)co1 ZINC000420376936 405337706 /nfs/dbraw/zinc/33/77/06/405337706.db2.gz AULWPDUFZZULSL-JSGCOSHPSA-N 1 0 302.378 2.294 10 0 DEAERO Cc1cc(C[C@@H](C)NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)[nH]n1 ZINC000445222163 405349519 /nfs/dbraw/zinc/34/95/19/405349519.db2.gz KATOIMZWVQRILJ-CYBMUJFWSA-N 1 0 321.469 2.070 10 0 DEAERO CC(=O)C[C@@H](C)NC(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000426992877 405385167 /nfs/dbraw/zinc/38/51/67/405385167.db2.gz UCYUZEHAJXGEOU-SECBINFHSA-N 1 0 322.315 2.302 10 0 DEAERO CCc1ccccc1C[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000445998285 405365525 /nfs/dbraw/zinc/36/55/25/405365525.db2.gz ICFVIYXVQQHVIX-UHFFFAOYSA-N 1 0 304.434 2.318 10 0 DEAERO CC(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)o1 ZINC000446101567 405372859 /nfs/dbraw/zinc/37/28/59/405372859.db2.gz ZRZDCNUXEBXUNQ-OAHLLOKOSA-N 1 0 314.385 2.385 10 0 DEAERO CCN(Cc1ccoc1)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638446734 405474032 /nfs/dbraw/zinc/47/40/32/405474032.db2.gz ZLQUJLZOZNZEQE-QGZVFWFLSA-N 1 0 315.417 2.087 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)Cc1cn(C)nc1C)CC(C)C ZINC000448971617 405479093 /nfs/dbraw/zinc/47/90/93/405479093.db2.gz PCTUMAHOVUKFGH-MRXNPFEDSA-N 1 0 308.470 2.144 10 0 DEAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421396511 405489867 /nfs/dbraw/zinc/48/98/67/405489867.db2.gz KDWVHTLIBURDLP-KRWDZBQOSA-N 1 0 313.357 2.170 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1ccc(O)cc1 ZINC000492563931 405508185 /nfs/dbraw/zinc/50/81/85/405508185.db2.gz JRZZZLAPXUDLER-SELBCVKXSA-N 1 0 300.402 2.491 10 0 DEAERO CO[C@](C)(CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000456139766 405514074 /nfs/dbraw/zinc/51/40/74/405514074.db2.gz ZRDOCGJFUJKGHK-GOSISDBHSA-N 1 0 304.434 2.396 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2F)CC12COC2 ZINC000449366724 405527503 /nfs/dbraw/zinc/52/75/03/405527503.db2.gz SFDBVAKJUDYGRI-AWEZNQCLSA-N 1 0 307.365 2.146 10 0 DEAERO [NH3+]CC1(NC(=O)c2cc(F)c(Cl)cc2Cl)CCOCC1 ZINC000638636288 405584887 /nfs/dbraw/zinc/58/48/87/405584887.db2.gz WAJJLLDAKJSXQK-UHFFFAOYSA-N 1 0 321.179 2.370 10 0 DEAERO [NH3+]CC1(NC(=O)c2cc(Cl)sc2Cl)CCOCC1 ZINC000638636261 405585779 /nfs/dbraw/zinc/58/57/79/405585779.db2.gz VALUHCBDBCNHPC-UHFFFAOYSA-N 1 0 309.218 2.293 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)c2cc(F)ccc2Br)C[NH2+]1 ZINC000638656432 405600200 /nfs/dbraw/zinc/60/02/00/405600200.db2.gz ZFBHMFIMYNPEBU-PSASIEDQSA-N 1 0 315.186 2.459 10 0 DEAERO [NH3+][C@H]1CCCCCN(C(=O)c2occc2Br)C1 ZINC000638816736 405688688 /nfs/dbraw/zinc/68/86/88/405688688.db2.gz DYJJWSNYBXZITG-VIFPVBQESA-N 1 0 301.184 2.386 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](CCCc2ccc(C)cc2)CC1 ZINC000494487438 405709580 /nfs/dbraw/zinc/70/95/80/405709580.db2.gz WOMYEIZCDYIQCL-UHFFFAOYSA-N 1 0 318.461 2.497 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1 ZINC000636094681 405734666 /nfs/dbraw/zinc/73/46/66/405734666.db2.gz WNZKLZJJOXVASX-HZPDHXFCSA-N 1 0 317.433 2.128 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2)C[C@@H]1C[NH3+] ZINC000638889757 405743504 /nfs/dbraw/zinc/74/35/04/405743504.db2.gz QBOZKUPGHCHGFI-SCZZXKLOSA-N 1 0 315.186 2.255 10 0 DEAERO Cc1cc(Br)ccc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638893548 405745040 /nfs/dbraw/zinc/74/50/40/405745040.db2.gz ZKLUXQLJAPKBDT-WDEREUQCSA-N 1 0 311.223 2.424 10 0 DEAERO Brc1ccc2c(c1)[C@H](NCC1C[NH2+]C1)CCCO2 ZINC000423302146 405751836 /nfs/dbraw/zinc/75/18/36/405751836.db2.gz IYYKEIKLYAGWQQ-CYBMUJFWSA-N 1 0 311.223 2.472 10 0 DEAERO CC(C)n1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cn1 ZINC000583618800 405775769 /nfs/dbraw/zinc/77/57/69/405775769.db2.gz NRHGXMNLSYMAAH-GVDBMIGSSA-N 1 0 307.438 2.216 10 0 DEAERO CO[C@@H]1CC[C@H](NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000530409992 405798542 /nfs/dbraw/zinc/79/85/42/405798542.db2.gz AOLPPLUWKCADFP-JKSUJKDBSA-N 1 0 311.470 2.316 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)CC2 ZINC000530422199 405799617 /nfs/dbraw/zinc/79/96/17/405799617.db2.gz RRSDEGRNKUVTGI-XJKSGUPXSA-N 1 0 318.465 2.094 10 0 DEAERO C[C@@H]([NH2+]CCN1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495069622 405810541 /nfs/dbraw/zinc/81/05/41/405810541.db2.gz WJWPUKGAXFBKOA-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000530867732 405874486 /nfs/dbraw/zinc/87/44/86/405874486.db2.gz KUCAECKXJFZBPP-BQFCYCMXSA-N 1 0 322.449 2.109 10 0 DEAERO CCn1nncc1CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459391766 405884488 /nfs/dbraw/zinc/88/44/88/405884488.db2.gz DBGJAISTMRKHPB-DOTOQJQBSA-N 1 0 313.449 2.298 10 0 DEAERO CO[C@@H](C[NH2+]C[C@H]1CCCCS1(=O)=O)C1CCCCC1 ZINC000639035632 405833013 /nfs/dbraw/zinc/83/30/13/405833013.db2.gz FUINKMUMGYHYLX-CABCVRRESA-N 1 0 303.468 2.139 10 0 DEAERO CC[C@]1(O)CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000495226781 405846110 /nfs/dbraw/zinc/84/61/10/405846110.db2.gz DOFVHWYUKNJOST-ZFWWWQNUSA-N 1 0 317.351 2.456 10 0 DEAERO CC[C@@]1(O)CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000495226780 405846197 /nfs/dbraw/zinc/84/61/97/405846197.db2.gz DOFVHWYUKNJOST-UKRRQHHQSA-N 1 0 317.351 2.456 10 0 DEAERO C(C[C@H]1CCO1)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000639067827 405858939 /nfs/dbraw/zinc/85/89/39/405858939.db2.gz ZUVRBWUZTQECFA-HNNXBMFYSA-N 1 0 304.438 2.363 10 0 DEAERO O[C@H](COC[C@H]1CCCO1)CN1Cc2cccc(Cl)c2C1 ZINC000561917569 405952278 /nfs/dbraw/zinc/95/22/78/405952278.db2.gz DLXHTUPXCYWWGP-UONOGXRCSA-N 1 0 311.809 2.212 10 0 DEAERO CC(=O)N1CCC[C@@H](C[NH2+]Cc2nc3ccccc3nc2C)C1 ZINC000639123610 405901902 /nfs/dbraw/zinc/90/19/02/405901902.db2.gz MKZOYWISRRPHED-HNNXBMFYSA-N 1 0 312.417 2.286 10 0 DEAERO CCn1nncc1C[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000459480409 405923382 /nfs/dbraw/zinc/92/33/82/405923382.db2.gz NUWHTSJFZWTYLS-CABCVRRESA-N 1 0 302.422 2.285 10 0 DEAERO O[C@H](C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1)Cn1ccnn1 ZINC000459706599 406013039 /nfs/dbraw/zinc/01/30/39/406013039.db2.gz WBGXSLNKNAKMMY-PMPSAXMXSA-N 1 0 320.824 2.218 10 0 DEAERO OCC[C@H]1CSCC[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000531840938 406014027 /nfs/dbraw/zinc/01/40/27/406014027.db2.gz GIPPYCWOVKKEMC-AWEZNQCLSA-N 1 0 319.430 2.079 10 0 DEAERO CC(C)C[C@@H](C)[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000451033224 406024019 /nfs/dbraw/zinc/02/40/19/406024019.db2.gz ATYBAHLETMZYHD-KGLIPLIRSA-N 1 0 302.484 2.215 10 0 DEAERO CC(C)c1nnc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000450596227 405971423 /nfs/dbraw/zinc/97/14/23/405971423.db2.gz FUAQDRQUSITTIU-MELADBBJSA-N 1 0 324.494 2.345 10 0 DEAERO COc1nsc(C[NH2+]C[C@H](OC)C2CC2)c1Br ZINC000639209071 405976069 /nfs/dbraw/zinc/97/60/69/405976069.db2.gz LTWXFZUAKJUBDI-QMMMGPOBSA-N 1 0 321.240 2.429 10 0 DEAERO O=C(NCCOCC1CCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000562284081 405976416 /nfs/dbraw/zinc/97/64/16/405976416.db2.gz HMJBPWCVXWJCCL-QGZVFWFLSA-N 1 0 323.481 2.463 10 0 DEAERO FC(F)(F)CN1CC[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000562416277 406005877 /nfs/dbraw/zinc/00/58/77/406005877.db2.gz DIMVDLFEBKGAPI-SNVBAGLBSA-N 1 0 314.311 2.396 10 0 DEAERO C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459691812 406007925 /nfs/dbraw/zinc/00/79/25/406007925.db2.gz HABBMXZKQGTJSI-JRHYKELJSA-N 1 0 318.465 2.224 10 0 DEAERO c1nc2n(n1)[C@@H](C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)CC2 ZINC000639460030 406098360 /nfs/dbraw/zinc/09/83/60/406098360.db2.gz QSAXDXQJHURARD-IAGOWNOFSA-N 1 0 312.417 2.447 10 0 DEAERO OCc1cn([C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)nn1 ZINC000451070934 406038935 /nfs/dbraw/zinc/03/89/35/406038935.db2.gz PZJGYJDPMBKVSK-MRXNPFEDSA-N 1 0 320.824 2.303 10 0 DEAERO Cn1ncnc1CN[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000639362603 406064824 /nfs/dbraw/zinc/06/48/24/406064824.db2.gz ONTIATRREVGPPO-QGZVFWFLSA-N 1 0 313.449 2.350 10 0 DEAERO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532378205 406072182 /nfs/dbraw/zinc/07/21/82/406072182.db2.gz RUDDQNGGOSWHHV-AWEZNQCLSA-N 1 0 312.454 2.299 10 0 DEAERO C[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C)[N@H+](C)C1CC1 ZINC000471823020 406121160 /nfs/dbraw/zinc/12/11/60/406121160.db2.gz CKKPXMUUACKDRP-FOGDFJRCSA-N 1 0 307.360 2.451 10 0 DEAERO c1cn(-c2ccc(C[N@@H+]3CC[C@@H](Nc4ncccn4)C3)cc2)cn1 ZINC000567905306 406158405 /nfs/dbraw/zinc/15/84/05/406158405.db2.gz QZATVZQEEGBSLA-MRXNPFEDSA-N 1 0 320.400 2.349 10 0 DEAERO COC1CC[NH+](C2(CNC(=O)NC[C@H]3C[C@@H]3C)CCCC2)CC1 ZINC000519380314 406194634 /nfs/dbraw/zinc/19/46/34/406194634.db2.gz LPQPLPFSFAUKEH-LSDHHAIUSA-N 1 0 323.481 2.365 10 0 DEAERO CC(C)(C)OCC[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634700763 406232245 /nfs/dbraw/zinc/23/22/45/406232245.db2.gz FHULQIFVPSWCAK-GOSISDBHSA-N 1 0 306.450 2.028 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000487573848 406247595 /nfs/dbraw/zinc/24/75/95/406247595.db2.gz LYNXTGWKXRUNKN-VIFPVBQESA-N 1 0 302.216 2.230 10 0 DEAERO C[C@H](OCc1ccccc1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634759590 406269592 /nfs/dbraw/zinc/26/95/92/406269592.db2.gz MEKYLLHUQHDHKD-GOEBONIOSA-N 1 0 304.434 2.486 10 0 DEAERO c1cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)nc(N2CCCCC2)n1 ZINC000634812714 406296031 /nfs/dbraw/zinc/29/60/31/406296031.db2.gz PNTKXLINXVFNOL-GJZGRUSLSA-N 1 0 301.438 2.045 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000488111402 406293652 /nfs/dbraw/zinc/29/36/52/406293652.db2.gz XSBZCLOBMALDHQ-ZHRRBRCNSA-N 1 0 322.474 2.257 10 0 DEAERO C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000488438620 406319807 /nfs/dbraw/zinc/31/98/07/406319807.db2.gz MFRZAQBZFDLFGL-PBHICJAKSA-N 1 0 322.474 2.358 10 0 DEAERO CCC1([NH+](C)C)CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000640017866 406356852 /nfs/dbraw/zinc/35/68/52/406356852.db2.gz SFXQJUSJKJAYJD-SFHVURJKSA-N 1 0 320.477 2.370 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c1C ZINC000632882417 406305571 /nfs/dbraw/zinc/30/55/71/406305571.db2.gz YLRAKSVHJJRPDJ-KBPBESRZSA-N 1 0 303.406 2.048 10 0 DEAERO c1ccc(CCN(Cc2cccnc2)CC23CC(C2)C[NH2+]3)nc1 ZINC000634995123 406390642 /nfs/dbraw/zinc/39/06/42/406390642.db2.gz VSROASQOIXCKQC-UHFFFAOYSA-N 1 0 308.429 2.273 10 0 DEAERO COC(=O)[C@H](C1CC1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488978844 406366126 /nfs/dbraw/zinc/36/61/26/406366126.db2.gz KCEPTBCGINOCNF-OCCSQVGLSA-N 1 0 308.353 2.016 10 0 DEAERO CCCN(C)C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637907744 406472980 /nfs/dbraw/zinc/47/29/80/406472980.db2.gz SSOGVZVQBLNCBI-UHFFFAOYSA-N 1 0 303.450 2.238 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000524211780 406442691 /nfs/dbraw/zinc/44/26/91/406442691.db2.gz SRCCUTBZHAABTP-CQSZACIVSA-N 1 0 319.453 2.031 10 0 DEAERO C[C@H](NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000637868005 406453958 /nfs/dbraw/zinc/45/39/58/406453958.db2.gz LFWNSPOWOQCFMF-YJBOKZPZSA-N 1 0 311.429 2.323 10 0 DEAERO CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cncs2)C1 ZINC000548673471 406538335 /nfs/dbraw/zinc/53/83/35/406538335.db2.gz UIVJGNQELVWSMC-CQSZACIVSA-N 1 0 322.459 2.145 10 0 DEAERO COc1ccc(NC(=O)CCC2C[NH2+]C2)cc1Br ZINC000637975569 406505538 /nfs/dbraw/zinc/50/55/38/406505538.db2.gz QQJUDJWGIKSUPT-UHFFFAOYSA-N 1 0 313.195 2.396 10 0 DEAERO CC(C)[C@@H]1CCCCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638001148 406517794 /nfs/dbraw/zinc/51/77/94/406517794.db2.gz OXSKPSRMIGVPCT-ROUUACIJSA-N 1 0 317.477 2.483 10 0 DEAERO CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638181816 406611339 /nfs/dbraw/zinc/61/13/39/406611339.db2.gz JEAVOHFTKNSGSO-ROUUACIJSA-N 1 0 315.461 2.313 10 0 DEAERO c1nc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc2c1OCCO2 ZINC000638116071 406577883 /nfs/dbraw/zinc/57/78/83/406577883.db2.gz VNRHOJMLUJJEQU-QGZVFWFLSA-N 1 0 304.390 2.245 10 0 DEAERO [NH3+][C@@H]1CC=C(C(=O)NCc2ccsc2Br)C1 ZINC000638282319 406670838 /nfs/dbraw/zinc/67/08/38/406670838.db2.gz RAWBSUVDFNSOGP-SECBINFHSA-N 1 0 301.209 2.174 10 0 DEAERO Cc1ccncc1C[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000527513815 406646496 /nfs/dbraw/zinc/64/64/96/406646496.db2.gz UVSRJGZUGSFJPK-UHFFFAOYSA-N 1 0 310.445 2.302 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000638416831 406760365 /nfs/dbraw/zinc/76/03/65/406760365.db2.gz ZVCPVKVTKKPDFR-OGCZYDBJSA-N 1 0 316.445 2.471 10 0 DEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638429981 406766352 /nfs/dbraw/zinc/76/63/52/406766352.db2.gz LAMOYWOMXRXRGC-NXCDMZCRSA-N 1 0 315.461 2.235 10 0 DEAERO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCCCC[NH+](C)C ZINC000554790541 406825176 /nfs/dbraw/zinc/82/51/76/406825176.db2.gz JRRIBFWNVFRVEU-CQSZACIVSA-N 1 0 304.434 2.401 10 0 DEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1ccc(Cl)cc1Cl ZINC000643619217 407018246 /nfs/dbraw/zinc/01/82/46/407018246.db2.gz PTOZSDXONZXTQU-VHSXEESVSA-N 1 0 317.216 2.407 10 0 DEAERO CC[C@@H](C)[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262401764 286812567 /nfs/dbraw/zinc/81/25/67/286812567.db2.gz YOXLZHZNFODNOF-MXASKKJJSA-N 1 0 318.465 2.150 10 0 DEAERO C[C@@H](CS(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000129159453 196024972 /nfs/dbraw/zinc/02/49/72/196024972.db2.gz IMCIACUZALDZJH-HOCLYGCPSA-N 1 0 310.463 2.099 10 0 DEAERO CCN(CC)c1ncc(C[NH2+]CC[C@@H](C)[S@@](C)=O)s1 ZINC000129399511 196044604 /nfs/dbraw/zinc/04/46/04/196044604.db2.gz MZEBODCLPCSDEG-WYRIXSBYSA-N 1 0 303.497 2.236 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)c1ccc(C[NH3+])o1 ZINC000129595233 196060449 /nfs/dbraw/zinc/06/04/49/196060449.db2.gz WWISHSCJCYHPCQ-UHFFFAOYSA-N 1 0 310.151 2.457 10 0 DEAERO Cc1cc(Br)cc2nc(CN3CCC[NH2+]CC3)[nH]c21 ZINC000129602554 196061360 /nfs/dbraw/zinc/06/13/60/196061360.db2.gz VAKUBEAYLXBRBE-UHFFFAOYSA-N 1 0 323.238 2.429 10 0 DEAERO CCOCC[NH2+]CCOc1ccc(OC)cc1Br ZINC000129644571 196064893 /nfs/dbraw/zinc/06/48/93/196064893.db2.gz NIGKBUUHJUTEKY-UHFFFAOYSA-N 1 0 318.211 2.463 10 0 DEAERO Cc1cc(Br)cc2nc(C[C@@H]3COCC[NH2+]3)[nH]c21 ZINC000129662763 196065892 /nfs/dbraw/zinc/06/58/92/196065892.db2.gz JPFPGONGJUZZJD-SNVBAGLBSA-N 1 0 310.195 2.165 10 0 DEAERO COCC1CC[NH+](Cc2cc(C(N)=S)ccc2OC)CC1 ZINC000130615205 196096082 /nfs/dbraw/zinc/09/60/82/196096082.db2.gz XWYTUMZCNIVLJK-UHFFFAOYSA-N 1 0 308.447 2.188 10 0 DEAERO Cc1csc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000130695095 196102438 /nfs/dbraw/zinc/10/24/38/196102438.db2.gz KPOMTPVUAWUORM-HNNXBMFYSA-N 1 0 308.495 2.053 10 0 DEAERO CCCn1ncnc1C[C@@H]([NH3+])c1ccc(Br)cn1 ZINC000130795391 196111366 /nfs/dbraw/zinc/11/13/66/196111366.db2.gz HHRLLPUMIBHUFF-SNVBAGLBSA-N 1 0 310.199 2.088 10 0 DEAERO CS[C@H](C)CCNS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000130935307 196123671 /nfs/dbraw/zinc/12/36/71/196123671.db2.gz OPQUMDDVVXFXDQ-GHMZBOCLSA-N 1 0 302.465 2.126 10 0 DEAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000130939880 196124624 /nfs/dbraw/zinc/12/46/24/196124624.db2.gz ODTHUPGWQARGMH-ILXRZTDVSA-N 1 0 302.484 2.169 10 0 DEAERO Cc1nc(-c2ccc(Br)cn2)nc2c1C[NH2+]CC2 ZINC000130956200 196126780 /nfs/dbraw/zinc/12/67/80/196126780.db2.gz DMDYHASUWJYMLE-UHFFFAOYSA-N 1 0 305.179 2.255 10 0 DEAERO CCc1nn(CCCS(=O)(=O)CC)c(CC)c1[C@H]([NH3+])CC ZINC000131002984 196130468 /nfs/dbraw/zinc/13/04/68/196130468.db2.gz QINDRALAPMWWIA-GFCCVEGCSA-N 1 0 315.483 2.243 10 0 DEAERO CCC[NH2+][C@](C)(C[C@@H](C)Sc1nc(CC)ns1)C(N)=O ZINC000131053205 196135323 /nfs/dbraw/zinc/13/53/23/196135323.db2.gz AOPORSWYZAEMNH-NOZJJQNGSA-N 1 0 316.496 2.215 10 0 DEAERO CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(CC[NH3+])cc2)C1 ZINC000131319678 196159884 /nfs/dbraw/zinc/15/98/84/196159884.db2.gz KSEFOODAMSOMCV-AWEZNQCLSA-N 1 0 310.463 2.245 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)NCC1(C[NH3+])CCCCC1 ZINC000131565974 196180589 /nfs/dbraw/zinc/18/05/89/196180589.db2.gz NSSHRHFQDLWSET-UHFFFAOYSA-N 1 0 314.426 2.322 10 0 DEAERO COc1ccc([C@@H]([NH3+])Cc2cnn(C)c2)cc1Br ZINC000131678389 196190789 /nfs/dbraw/zinc/19/07/89/196190789.db2.gz LWZWUPWPXUZQAI-LBPRGKRZSA-N 1 0 310.195 2.434 10 0 DEAERO [NH3+]Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000132208854 196235373 /nfs/dbraw/zinc/23/53/73/196235373.db2.gz IFGQPHAUVIOSNP-TXEJJXNPSA-N 1 0 314.838 2.219 10 0 DEAERO Cc1nc(-c2ccc(Br)cn2)nc2c1CC[NH2+]C2 ZINC000132119407 196227881 /nfs/dbraw/zinc/22/78/81/196227881.db2.gz XNHOIBOXJMBNQJ-UHFFFAOYSA-N 1 0 305.179 2.255 10 0 DEAERO [NH3+]C1(C(=O)Nc2cccc(-c3nccs3)c2)CCOCC1 ZINC000132151007 196230500 /nfs/dbraw/zinc/23/05/00/196230500.db2.gz QZQIWWBMLNALGG-UHFFFAOYSA-N 1 0 303.387 2.257 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000132265825 196239933 /nfs/dbraw/zinc/23/99/33/196239933.db2.gz UZUUXQQFGGGPMH-PHDIDXHHSA-N 1 0 308.250 2.191 10 0 DEAERO CN(CCCC[NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000132441565 196256108 /nfs/dbraw/zinc/25/61/08/196256108.db2.gz ISQBXDHLDKVMML-UHFFFAOYSA-N 1 0 304.438 2.036 10 0 DEAERO C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000132509194 196261214 /nfs/dbraw/zinc/26/12/14/196261214.db2.gz XYQPTGZVWJBBNZ-JQWIXIFHSA-N 1 0 300.324 2.362 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](COCc2ccc(Br)cc2F)O1 ZINC000132703500 196277035 /nfs/dbraw/zinc/27/70/35/196277035.db2.gz OGJDLLQLAPFXAI-JOYOIKCWSA-N 1 0 318.186 2.482 10 0 DEAERO COCc1nc(N(Cc2ccsc2)C2CC2)cc(NN)[nH+]1 ZINC000132783268 196283415 /nfs/dbraw/zinc/28/34/15/196283415.db2.gz XZADBESSSCFQCU-UHFFFAOYSA-N 1 0 305.407 2.139 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)N2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC000132803802 196284830 /nfs/dbraw/zinc/28/48/30/196284830.db2.gz MUHDRPMEIXNVEQ-GOEBONIOSA-N 1 0 309.454 2.070 10 0 DEAERO CCc1nn(CC)c(C[NH2+][C@@H](C)CCO)c1Br ZINC000132917138 196296229 /nfs/dbraw/zinc/29/62/29/196296229.db2.gz NRNQMUGSJFCTFA-VIFPVBQESA-N 1 0 304.232 2.088 10 0 DEAERO COCc1nc(NCc2ccc(F)c(Cl)c2)cc(NN)[nH+]1 ZINC000132913735 196296314 /nfs/dbraw/zinc/29/63/14/196296314.db2.gz AAFPLEJYRCCJBD-UHFFFAOYSA-N 1 0 311.748 2.313 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1C ZINC000133186006 196319153 /nfs/dbraw/zinc/31/91/53/196319153.db2.gz RIVPVVULUXQDSN-NSHDSACASA-N 1 0 302.827 2.021 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1O ZINC000133854343 196340764 /nfs/dbraw/zinc/34/07/64/196340764.db2.gz GPKCOLMDEHDJDJ-QMMMGPOBSA-N 1 0 301.184 2.481 10 0 DEAERO CC[NH2+]Cc1c(N2CCCCC[C@H]2CO)nc2sccn12 ZINC000133862578 196341295 /nfs/dbraw/zinc/34/12/95/196341295.db2.gz LXNLRJGNQBGRCL-LBPRGKRZSA-N 1 0 308.451 2.247 10 0 DEAERO CCOC(=O)Cc1csc(N(C)CC2CC[NH+](C)CC2)n1 ZINC000133964331 196349467 /nfs/dbraw/zinc/34/94/67/196349467.db2.gz PCEMDYOWFQTXIC-UHFFFAOYSA-N 1 0 311.451 2.027 10 0 DEAERO CCn1ncc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1=O ZINC000133988070 196351811 /nfs/dbraw/zinc/35/18/11/196351811.db2.gz OYSDUBHTESWLKL-YOGCLGLASA-N 1 0 310.829 2.201 10 0 DEAERO COCCn1ncc(Cl)c1[C@H]([NH3+])c1ccc2c(c1)COC2 ZINC000134026892 196354902 /nfs/dbraw/zinc/35/49/02/196354902.db2.gz XTXVGWBGJSGYIO-CQSZACIVSA-N 1 0 307.781 2.261 10 0 DEAERO COCC[NH2+]C[C@H](COC)c1cccc(Br)c1 ZINC000134061936 196358195 /nfs/dbraw/zinc/35/81/95/196358195.db2.gz SMZNQYVKNCUPJA-GFCCVEGCSA-N 1 0 302.212 2.415 10 0 DEAERO CC(C)c1ccc([C@H](O)C[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000134097925 196360616 /nfs/dbraw/zinc/36/06/16/196360616.db2.gz YNEOFCOIUHJWAU-HZPDHXFCSA-N 1 0 311.447 2.010 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1cccc(N)c1Br ZINC000134102032 196361848 /nfs/dbraw/zinc/36/18/48/196361848.db2.gz RIDJXVNRZCSMKE-UHFFFAOYSA-N 1 0 314.227 2.103 10 0 DEAERO COCC[NH2+][C@]1(c2nc3c(s2)CCCC3)CCCN(C)C1 ZINC000134337112 196380261 /nfs/dbraw/zinc/38/02/61/196380261.db2.gz SYKXWQGUZSJXRS-MRXNPFEDSA-N 1 0 309.479 2.179 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@@H]1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000134354522 196381389 /nfs/dbraw/zinc/38/13/89/196381389.db2.gz DBEMMUHGPYYMKO-KCJUWKMLSA-N 1 0 302.205 2.458 10 0 DEAERO CCC(CO)(CO)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000134466325 196394221 /nfs/dbraw/zinc/39/42/21/196394221.db2.gz JOSLCGIPLPJDBR-QMMMGPOBSA-N 1 0 308.241 2.295 10 0 DEAERO C[C@](C[NH3+])(NS(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000134472727 196394676 /nfs/dbraw/zinc/39/46/76/196394676.db2.gz RPMZTLKLOMYVHP-MRXNPFEDSA-N 1 0 310.463 2.360 10 0 DEAERO CCC[NH2+][C@H](CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000134588668 196405028 /nfs/dbraw/zinc/40/50/28/196405028.db2.gz MYZKYDXKNZJYOS-UONOGXRCSA-N 1 0 301.477 2.484 10 0 DEAERO COCC[NH2+]C[C@H]1CCO[C@@H]1c1ccc(Br)cn1 ZINC000135415018 196471884 /nfs/dbraw/zinc/47/18/84/196471884.db2.gz DZVDHQMVOSPALY-MFKMUULPSA-N 1 0 315.211 2.158 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000193885150 225169269 /nfs/dbraw/zinc/16/92/69/225169269.db2.gz ACYWAIRJYCDECL-NVXWUHKLSA-N 1 0 304.434 2.249 10 0 DEAERO Cc1ccc(COc2ccc(C(=O)NC[C@H](C)O)cc2)c(C)n1 ZINC000194475517 225181493 /nfs/dbraw/zinc/18/14/93/225181493.db2.gz ORGRZDARLFPRFA-ZDUSSCGKSA-N 1 0 314.385 2.388 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCCC3)C[C@H]1[NH+](C)C ZINC000266159723 296916229 /nfs/dbraw/zinc/91/62/29/296916229.db2.gz ILJSFSXLOLZXIJ-MLGOLLRUSA-N 1 0 317.433 2.078 10 0 DEAERO COc1ccc([C@@H]2CCCN2C(=O)[C@]2(F)CC[NH2+]C2)c(OC)c1 ZINC000408513565 227236194 /nfs/dbraw/zinc/23/61/94/227236194.db2.gz QDDFDIWNRVQSPV-YOEHRIQHSA-N 1 0 322.380 2.069 10 0 DEAERO c1ccc2nc(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422704072 230170605 /nfs/dbraw/zinc/17/06/05/230170605.db2.gz OMEXSUNKYDCSRY-QXAKKESOSA-N 1 0 311.429 2.482 10 0 DEAERO CCCN(CC[NH+](CC)CC)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000360211634 424837129 /nfs/dbraw/zinc/83/71/29/424837129.db2.gz JABAPVMBRWIAKS-UHFFFAOYSA-N 1 0 324.473 2.619 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000070177218 424841701 /nfs/dbraw/zinc/84/17/01/424841701.db2.gz VJUAPXWRRRYJGT-GWCFXTLKSA-N 1 0 316.854 2.396 10 0 DEAERO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886032 424849573 /nfs/dbraw/zinc/84/95/73/424849573.db2.gz UYWDLFSEGQVUPD-HNNXBMFYSA-N 1 0 318.465 2.433 10 0 DEAERO O=C(NCCCOCC1CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192959091 424866337 /nfs/dbraw/zinc/86/63/37/424866337.db2.gz OKTJPRAZRIXULE-UHFFFAOYSA-N 1 0 323.481 2.321 10 0 DEAERO CC[N@@H+]1CCC[C@H](Nc2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000193717218 424870592 /nfs/dbraw/zinc/87/05/92/424870592.db2.gz ZERAJQBGQAEGCW-VIFPVBQESA-N 1 0 314.315 2.039 10 0 DEAERO COC(C)(C)C[C@H](C)NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000177565309 424863872 /nfs/dbraw/zinc/86/38/72/424863872.db2.gz OLVFQKYJPAGXIE-KBPBESRZSA-N 1 0 308.426 2.261 10 0 DEAERO Cc1cc(C[NH2+]C2COCCOC2)ccc1Br ZINC000382493095 424909540 /nfs/dbraw/zinc/90/95/40/424909540.db2.gz OALXNHFVWHMCQU-UHFFFAOYSA-N 1 0 300.196 2.263 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000384066678 424910352 /nfs/dbraw/zinc/91/03/52/424910352.db2.gz IMXQTMGBEDYKOZ-DLBZAZTESA-N 1 0 304.434 2.425 10 0 DEAERO Brc1ccc2c(c1)[C@@H]([NH2+]C1COCCOC1)CC2 ZINC000386259017 424911888 /nfs/dbraw/zinc/91/18/88/424911888.db2.gz FFHGYYDDMMBHCA-AWEZNQCLSA-N 1 0 312.207 2.441 10 0 DEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390907337 424918918 /nfs/dbraw/zinc/91/89/18/424918918.db2.gz SNFOMGLEWKCHMY-IPMKNSEASA-N 1 0 318.461 2.171 10 0 DEAERO Cc1ncc(-c2noc([C@H]3CCC[N@@H+]3C3CCCC3)n2)c(N)n1 ZINC000333158751 424919432 /nfs/dbraw/zinc/91/94/32/424919432.db2.gz HYHJRZOMIRHAIV-CYBMUJFWSA-N 1 0 314.393 2.497 10 0 DEAERO CCN(C)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404135620 424925064 /nfs/dbraw/zinc/92/50/64/424925064.db2.gz CAAIDBPEIHKCRS-IRXDYDNUSA-N 1 0 317.433 2.033 10 0 DEAERO CCCC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404139309 424925617 /nfs/dbraw/zinc/92/56/17/424925617.db2.gz GMJGGIWWEMKKGY-DLBZAZTESA-N 1 0 302.418 2.288 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2cc(F)ccc2Br)CCOC1 ZINC000404188298 424925889 /nfs/dbraw/zinc/92/58/89/424925889.db2.gz DYXFIJOBVDQRNR-ZDUSSCGKSA-N 1 0 318.186 2.219 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2ccc(F)c(Br)c2)CCOC1 ZINC000404197587 424926012 /nfs/dbraw/zinc/92/60/12/424926012.db2.gz IITIVBCGKRXEIE-ZDUSSCGKSA-N 1 0 318.186 2.219 10 0 DEAERO CCC(CC)(C[NH3+])NC(=O)c1nscc1Br ZINC000404817086 424929836 /nfs/dbraw/zinc/92/98/36/424929836.db2.gz QLSNIMQSMVXNLV-UHFFFAOYSA-N 1 0 306.229 2.153 10 0 DEAERO C[NH+](C)CC(C)(C)CNC(=O)c1nscc1Br ZINC000405031873 424930746 /nfs/dbraw/zinc/93/07/46/424930746.db2.gz PJDFGPOKEHMHNF-UHFFFAOYSA-N 1 0 320.256 2.223 10 0 DEAERO c1cc(-c2nnc(NC3CC([NH+]4CCCCC4)C3)s2)no1 ZINC000376391579 424896199 /nfs/dbraw/zinc/89/61/99/424896199.db2.gz MCGTXJBGVRJQKF-UHFFFAOYSA-N 1 0 305.407 2.622 10 0 DEAERO CCOC(=O)C[C@H]([NH3+])c1ccccc1I ZINC000575439304 424946788 /nfs/dbraw/zinc/94/67/88/424946788.db2.gz SAWBGPVIIFGCIO-JTQLQIEISA-N 1 0 319.142 2.244 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000081095292 267378798 /nfs/dbraw/zinc/37/87/98/267378798.db2.gz DPZJVEGEGMAYNE-NVXWUHKLSA-N 1 0 324.490 2.122 10 0 DEAERO CC[NH+](CC)CCCNS(=O)(=O)c1cccc2ncccc21 ZINC000084935726 267384677 /nfs/dbraw/zinc/38/46/77/267384677.db2.gz OHOYJUPBTSHFFE-UHFFFAOYSA-N 1 0 321.446 2.245 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2c(F)cccc2Br)CC1=O ZINC000657694849 425386631 /nfs/dbraw/zinc/38/66/31/425386631.db2.gz HOCZXVSPVREICS-VIFPVBQESA-N 1 0 315.186 2.156 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2csc(Br)c2)CC1=O ZINC000657696954 425387099 /nfs/dbraw/zinc/38/70/99/425387099.db2.gz MBJPWNMIVHFHFP-QMMMGPOBSA-N 1 0 303.225 2.079 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2cc(Br)ccc2F)CC1=O ZINC000657694404 425387414 /nfs/dbraw/zinc/38/74/14/425387414.db2.gz LRMAKZDJZZIJNJ-VIFPVBQESA-N 1 0 315.186 2.156 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)CC1=O ZINC000657696193 425387787 /nfs/dbraw/zinc/38/77/87/425387787.db2.gz FTBAQHCTGFPAEL-JTQLQIEISA-N 1 0 315.186 2.156 10 0 DEAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCc2sccc2C1 ZINC000653063786 425393504 /nfs/dbraw/zinc/39/35/04/425393504.db2.gz WRGCTGOPDUKTMJ-NXEZZACHSA-N 1 0 304.337 2.031 10 0 DEAERO CN(CCc1cccs1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653097509 425402856 /nfs/dbraw/zinc/40/28/56/425402856.db2.gz PCJVYYAAVUCMKV-GHMZBOCLSA-N 1 0 306.353 2.147 10 0 DEAERO CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]Cc1c(C)cnn1C ZINC000657582070 425369397 /nfs/dbraw/zinc/36/93/97/425369397.db2.gz GDRKTHIFAMHHFN-WMLDXEAASA-N 1 0 317.437 2.202 10 0 DEAERO CCc1cc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)ccc1C ZINC000180598292 267602211 /nfs/dbraw/zinc/60/22/11/267602211.db2.gz SXDBFTLSYUQDEV-UHFFFAOYSA-N 1 0 319.449 2.200 10 0 DEAERO [NH3+][C@H]1CCCN(C(=O)Cc2ccc(Br)cc2F)C1 ZINC000659249932 425559164 /nfs/dbraw/zinc/55/91/64/425559164.db2.gz WXWSTVJOKJDMKI-NSHDSACASA-N 1 0 315.186 2.080 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000187922714 267668131 /nfs/dbraw/zinc/66/81/31/267668131.db2.gz DKRQRROQJPYSPH-KBXCAEBGSA-N 1 0 308.466 2.403 10 0 DEAERO OCCC1(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000189997657 267697650 /nfs/dbraw/zinc/69/76/50/267697650.db2.gz QTCBQOIJAWIJNL-KRWDZBQOSA-N 1 0 305.418 2.497 10 0 DEAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000195464246 268571656 /nfs/dbraw/zinc/57/16/56/268571656.db2.gz MDVCCYKYXPYZGS-LBPRGKRZSA-N 1 0 324.387 2.438 10 0 DEAERO COC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccccc1Br ZINC000228653789 268578231 /nfs/dbraw/zinc/57/82/31/268578231.db2.gz GGKNTEKBXWWMIH-NOZJJQNGSA-N 1 0 316.195 2.024 10 0 DEAERO CC(=O)N1CCc2cc(NC(=O)c3ccccc3CC[NH3+])ccc21 ZINC000324675963 268851000 /nfs/dbraw/zinc/85/10/00/268851000.db2.gz MHUXULGGEVIXRG-UHFFFAOYSA-N 1 0 323.396 2.349 10 0 DEAERO Cc1cnc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000333147576 268892307 /nfs/dbraw/zinc/89/23/07/268892307.db2.gz MBAFJZKGYZTZPE-OLZOCXBDSA-N 1 0 324.450 2.202 10 0 DEAERO CN(C(=O)Nc1cccc2c1OCCC2=O)[C@@H]1CCC[NH2+]CC1 ZINC000333168855 268897102 /nfs/dbraw/zinc/89/71/02/268897102.db2.gz PHJLTZFGSAKSMA-GFCCVEGCSA-N 1 0 317.389 2.258 10 0 DEAERO O=C(N[C@@H](c1cccnc1)C1CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333476221 268953050 /nfs/dbraw/zinc/95/30/50/268953050.db2.gz AYLIOJZEYVUHHA-MRXNPFEDSA-N 1 0 314.433 2.318 10 0 DEAERO CC(C)[C@@H]1N(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@]12CCCO2 ZINC000333803293 268993477 /nfs/dbraw/zinc/99/34/77/268993477.db2.gz ICZCPRSZOQIYGS-QSJFSLAZSA-N 1 0 309.454 2.103 10 0 DEAERO C[C@]1(CNC(=O)N2CCO[C@H](C3CCCCC3)C2)CCC[NH2+]C1 ZINC000333882272 269000022 /nfs/dbraw/zinc/00/00/22/269000022.db2.gz WKZCMNDUVSNSHG-WMZOPIPTSA-N 1 0 323.481 2.367 10 0 DEAERO C[C@@H]([NH2+]CCc1cncn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000401665577 269112435 /nfs/dbraw/zinc/11/24/35/269112435.db2.gz HCSFTDJSTUCGIS-KGLIPLIRSA-N 1 0 322.453 2.198 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCn3ccnc32)CC1 ZINC000176073271 273498356 /nfs/dbraw/zinc/49/83/56/273498356.db2.gz ZCCFNVAYIAMGCA-CQSZACIVSA-N 1 0 304.438 2.140 10 0 DEAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000262551330 273580000 /nfs/dbraw/zinc/58/00/00/273580000.db2.gz SNAZAVURKAWYPP-AWEZNQCLSA-N 1 0 319.430 2.448 10 0 DEAERO COC[C@@H]([NH3+])C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000262320978 274043895 /nfs/dbraw/zinc/04/38/95/274043895.db2.gz QJSWQPWTZWSZTR-MNOVXSKESA-N 1 0 303.189 2.071 10 0 DEAERO C[C@@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2)[C@H]1C[NH3+] ZINC000261684333 274292409 /nfs/dbraw/zinc/29/24/09/274292409.db2.gz NBLQIPKZRHBTCE-CJNGLKHVSA-N 1 0 322.416 2.379 10 0 DEAERO c1coc(C[N@@H+]2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)c1 ZINC000096042580 275074789 /nfs/dbraw/zinc/07/47/89/275074789.db2.gz AZSYDUOBRJCQRC-INMHGKMJSA-N 1 0 300.358 2.485 10 0 DEAERO CCC[N@H+](C[C@H](O)C(F)(F)F)C[C@@H]1COc2ccccc2O1 ZINC000121042709 276000721 /nfs/dbraw/zinc/00/07/21/276000721.db2.gz BIHWXGGNBYXSLB-RISCZKNCSA-N 1 0 319.323 2.462 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(c2cncc(-n3nc(C)cc3C)n2)C1 ZINC000301553075 276075179 /nfs/dbraw/zinc/07/51/79/276075179.db2.gz RLGTXSLSJOIKMO-OAHLLOKOSA-N 1 0 314.437 2.057 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1OCCc2ccccc21 ZINC000123819089 276181396 /nfs/dbraw/zinc/18/13/96/276181396.db2.gz VECAGOCHGDJJLR-RDJZCZTQSA-N 1 0 302.418 2.243 10 0 DEAERO CCC(=O)N1CCC[C@@H](C(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000186308115 276201822 /nfs/dbraw/zinc/20/18/22/276201822.db2.gz WBCADLSGKBLBRY-HZPDHXFCSA-N 1 0 323.481 2.016 10 0 DEAERO CCC[C@H](C(=O)NC[C@H]1COC2(CCCCCC2)O1)[NH+](C)C ZINC000180874345 276282221 /nfs/dbraw/zinc/28/22/21/276282221.db2.gz JGGMEZOBCUFNRE-LSDHHAIUSA-N 1 0 312.454 2.299 10 0 DEAERO CCOCCOCC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000123523851 276326263 /nfs/dbraw/zinc/32/62/63/276326263.db2.gz HSQSMADEUBNBTD-MRXNPFEDSA-N 1 0 318.417 2.051 10 0 DEAERO C[NH+]1CCC(C)(CNC(=O)c2snnc2C(C)(C)C)CC1 ZINC000408372980 277025272 /nfs/dbraw/zinc/02/52/72/277025272.db2.gz JTUWSCUJZNTGLU-UHFFFAOYSA-N 1 0 310.467 2.297 10 0 DEAERO COC(=O)[C@H](c1ccccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248345035 277122898 /nfs/dbraw/zinc/12/28/98/277122898.db2.gz MHKDBKKQTNZPRR-BBRMVZONSA-N 1 0 306.381 2.210 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2COc3ccccc32)C1 ZINC000245995318 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DEAERO C[C@@H](C[NH2+][C@@H](C)c1ccccc1-n1cccn1)CS(C)(=O)=O ZINC000183164890 278284363 /nfs/dbraw/zinc/28/43/63/278284363.db2.gz SIACWIIYCNHBMW-KBPBESRZSA-N 1 0 321.446 2.204 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)cc1N(C)C ZINC000180594387 278376288 /nfs/dbraw/zinc/37/62/88/278376288.db2.gz GCCRCVNPHYUXEW-DGCLKSJQSA-N 1 0 303.385 2.149 10 0 DEAERO CC(C)C1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000262426550 278712386 /nfs/dbraw/zinc/71/23/86/278712386.db2.gz FLRMLCSDVCHXIC-IIDMSEBBSA-N 1 0 308.466 2.414 10 0 DEAERO CC[N@H+](C)[C@@H]1CCN(c2ncnc3c2cnn3C(C)(C)C)C1 ZINC000302788495 279043688 /nfs/dbraw/zinc/04/36/88/279043688.db2.gz XKYYGHISERZJRS-GFCCVEGCSA-N 1 0 302.426 2.112 10 0 DEAERO CC(C)C[C@H](C)S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246845022 279118487 /nfs/dbraw/zinc/11/84/87/279118487.db2.gz CIIKSKWOEMYWTR-ZNMIVQPWSA-N 1 0 302.484 2.167 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000077715471 279159576 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C[C@H](C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)[NH+]1CCCCCC1 ZINC000358228810 298100364 /nfs/dbraw/zinc/10/03/64/298100364.db2.gz SZPPYKBPZFRRNA-CRAIPNDOSA-N 1 0 324.465 2.047 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)CC(=O)N1C ZINC000330195994 302780981 /nfs/dbraw/zinc/78/09/81/302780981.db2.gz PNQUTLRQGOXXKC-DQADVMEASA-N 1 0 318.465 2.477 10 0 DEAERO NC(=O)CCCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000187179357 303242783 /nfs/dbraw/zinc/24/27/83/303242783.db2.gz DRPUMILDROYGHI-ZDUSSCGKSA-N 1 0 323.462 2.047 10 0 DEAERO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1cccc2ccccc21 ZINC000123459515 303396400 /nfs/dbraw/zinc/39/64/00/303396400.db2.gz SHWYKDKFOCQDRD-AWEZNQCLSA-N 1 0 304.415 2.342 10 0 DEAERO O=C(N[C@@H]1CCC[C@@H]1CCO)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000188515965 303854809 /nfs/dbraw/zinc/85/48/09/303854809.db2.gz AUVZNCRBYSZYMO-BRWVUGGUSA-N 1 0 323.481 2.197 10 0 DEAERO O[C@@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)Cn1ccnn1 ZINC000459700923 304833799 /nfs/dbraw/zinc/83/37/99/304833799.db2.gz DRVQCUVGKCOWFS-OALUTQOASA-N 1 0 322.412 2.213 10 0 DEAERO Cn1cnc(CCNC(=O)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000577068902 326340574 /nfs/dbraw/zinc/34/05/74/326340574.db2.gz ITYSBNCTIWGDIT-HNNXBMFYSA-N 1 0 302.353 2.088 10 0 DEAERO CC1(C)CC[C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)O1 ZINC000186237563 332918752 /nfs/dbraw/zinc/91/87/52/332918752.db2.gz MCJYPNCVWVFWDX-OAHLLOKOSA-N 1 0 309.454 2.118 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000187661468 332980738 /nfs/dbraw/zinc/98/07/38/332980738.db2.gz GOUVLNDIWOGMFV-SJLPKXTDSA-N 1 0 306.450 2.240 10 0 DEAERO Fc1cc(-c2c[nH]c3ncc(OC4CC[NH2+]CC4)nc23)ccn1 ZINC000584638871 337379619 /nfs/dbraw/zinc/37/96/19/337379619.db2.gz MRXBYYZKCUFBAJ-UHFFFAOYSA-N 1 0 313.336 2.290 10 0 DEAERO COc1cccc([C@@H]2[C@@H]([NH2+][C@H]3CCNC3=O)CCN2C2CC2)c1 ZINC000328721882 533759343 /nfs/dbraw/zinc/75/93/43/533759343.db2.gz XDQZAHKDOYQLOG-YESZJQIVSA-N 1 0 315.417 2.291 10 0 DEAERO 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HAJQKXNREAIYTM-UHFFFAOYSA-N 1 0 303.431 2.424 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000195418445 534484443 /nfs/dbraw/zinc/48/44/43/534484443.db2.gz CNMQMUXIIDIKCN-NXHRZFHOSA-N 1 0 316.445 2.440 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000246178562 521839632 /nfs/dbraw/zinc/83/96/32/521839632.db2.gz BZASJCRBEPWVIF-OGHNNQOOSA-N 1 0 317.433 2.364 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2ccc(CSC(F)F)o2)CCO1 ZINC000128077083 521880700 /nfs/dbraw/zinc/88/07/00/521880700.db2.gz IRVAFKQDAAFHTR-ZDUSSCGKSA-N 1 0 320.405 2.498 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2ncc(-c3cccs3)o2)CCO1 ZINC000109133102 521881510 /nfs/dbraw/zinc/88/15/10/521881510.db2.gz LRSSMGGJVMAZJP-LBPRGKRZSA-N 1 0 307.419 2.166 10 0 DEAERO O=C(C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccc(F)cc1 ZINC000328929025 534595464 /nfs/dbraw/zinc/59/54/64/534595464.db2.gz YGVSQGAIJZBDDE-CZUORRHYSA-N 1 0 305.353 2.251 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)c2cncc(F)c2)ccc1F ZINC000130247636 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CC(=O)N(C)c1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000426764597 526471588 /nfs/dbraw/zinc/47/15/88/526471588.db2.gz XLASIJHBBLIGLO-CYBMUJFWSA-N 1 0 319.449 2.375 10 0 DEAERO c1ccc(Oc2cccnc2)c(CN2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338371824 526488181 /nfs/dbraw/zinc/48/81/81/526488181.db2.gz PVZUCQUTJWBFNI-CALCHBBNSA-N 1 0 312.369 2.474 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]1c1ccccc1 ZINC000248083843 536457076 /nfs/dbraw/zinc/45/70/76/536457076.db2.gz SJJFSCBEECCNBQ-RHSMWYFYSA-N 1 0 310.401 2.462 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)C1 ZINC000246286704 527365230 /nfs/dbraw/zinc/36/52/30/527365230.db2.gz MZFHFPGYZLVDFL-KZNAEPCWSA-N 1 0 316.445 2.364 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000192319103 527746639 /nfs/dbraw/zinc/74/66/39/527746639.db2.gz ZNZJXWWYDQLPLQ-ZIAGYGMSSA-N 1 0 312.454 2.297 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC(C)(C)O2)[C@H](C)C1 ZINC000188200629 527821837 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COc1ccccc1C[NH2+]C[C@@H]1CCO[C@@H]1c1ccnn1C ZINC000343384842 537048160 /nfs/dbraw/zinc/04/81/60/537048160.db2.gz OVBYVJMHJDJBHC-YOEHRIQHSA-N 1 0 301.390 2.296 10 0 DEAERO COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261926969 537110060 /nfs/dbraw/zinc/11/00/60/537110060.db2.gz YJBSILOUYFNEEE-OWQGQXMQSA-N 1 0 302.418 2.231 10 0 DEAERO C[NH2+]CC[C@H](CO)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000685963444 563961483 /nfs/dbraw/zinc/96/14/83/563961483.db2.gz OOBTWUQVOSJUBY-MGPQQGTHSA-N 1 0 300.443 2.098 10 0 DEAERO COc1ccc2c3c1O[C@@H]1[C@H](OC)C=C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000097975363 574417197 /nfs/dbraw/zinc/41/71/97/574417197.db2.gz HGPQAWTZLJXCTC-LMILNIMJSA-N 1 0 313.397 2.155 10 0 endogenous,in-man DEAERO CCN(C)[C@H](C(=O)OC[C@H]1CC(=O)N(CC)C1)c1ccccc1 ZINC000183298078 625300536 /nfs/dbraw/zinc/30/05/36/625300536.db2.gz LUOKQEVKOSVYAE-YOEHRIQHSA-N 1 0 318.417 2.091 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)c2cnc(Cl)cn2)ccc1F ZINC000178241952 625352274 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C[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)N(C)C1CC1 ZINC000724036048 777225678 /nfs/dbraw/zinc/22/56/78/777225678.db2.gz JFUMIOGLBYDFIG-WPRPVWTQSA-N 1 0 304.303 2.007 10 0 DEAERO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724042905 777229519 /nfs/dbraw/zinc/22/95/19/777229519.db2.gz SNFNXSYXOVUXOM-AEJSXWLSSA-N 1 0 305.287 2.170 10 0 DEAERO C[C@H](O)[C@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724061015 777233365 /nfs/dbraw/zinc/23/33/65/777233365.db2.gz ICVYFHYHDVAJOS-LPEHRKFASA-N 1 0 305.287 2.028 10 0 DEAERO C[C@@](O)(C[N@@H+]1CCC12CCOCC2)C(F)(F)C(F)(F)F ZINC000724118062 777245792 /nfs/dbraw/zinc/24/57/92/777245792.db2.gz QRDKYGRPCYCMEB-SECBINFHSA-N 1 0 303.271 2.190 10 0 DEAERO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724915932 777520011 /nfs/dbraw/zinc/52/00/11/777520011.db2.gz VAKPRPVOUZLEQO-SMOJQAGNSA-N 1 0 312.454 2.286 10 0 DEAERO CC(C)(C)S(=O)(=O)CCC[NH2+][C@@H](CCO)C1CCCC1 ZINC000725069336 777577686 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O=C(C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)NCc1ccccc1 ZINC000723619615 787344672 /nfs/dbraw/zinc/34/46/72/787344672.db2.gz MPPWHPFNTGWCKK-BRWVUGGUSA-N 1 0 302.418 2.098 10 0 DEAERO Cn1cnc(CC[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000724091132 787349294 /nfs/dbraw/zinc/34/92/94/787349294.db2.gz IYPBDLXZFYAZSM-KGLIPLIRSA-N 1 0 322.453 2.246 10 0 DEAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000724936906 787355035 /nfs/dbraw/zinc/35/50/35/787355035.db2.gz ONZVTFDFFPUULH-NEWSRXKRSA-N 1 0 318.461 2.292 10 0 DEAERO COC(=O)/C(C)=C\CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000393903903 789599766 /nfs/dbraw/zinc/59/97/66/789599766.db2.gz JXZZCJYMZDWSIM-KAKTVLCNSA-N 1 0 302.418 2.312 10 0 DEAERO COc1ncc(C[NH2+]CCCNC(=O)OC(C)(C)C)s1 ZINC000393915267 789601593 /nfs/dbraw/zinc/60/15/93/789601593.db2.gz SDKYGSIVVHNXFB-UHFFFAOYSA-N 1 0 301.412 2.156 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000397890742 790229872 /nfs/dbraw/zinc/22/98/72/790229872.db2.gz RXKNXPPOQYTFLX-UHFFFAOYSA-N 1 0 320.389 2.372 10 0 DEAERO COC[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CCOCC1 ZINC000234738494 791603179 /nfs/dbraw/zinc/60/31/79/791603179.db2.gz YBYRWHRRFZHTSL-AWEZNQCLSA-N 1 0 316.442 2.075 10 0 DEAERO CO[C@@](C)(C[NH2+]Cc1cn(C)nc1Br)C1CC1 ZINC000712483311 792190348 /nfs/dbraw/zinc/19/03/48/792190348.db2.gz SBWSURKYNLJOAZ-LBPRGKRZSA-N 1 0 302.216 2.087 10 0 DEAERO CC(C)C[C@H](CNCc1cn(C)nc1Br)[NH+](C)C ZINC000712469830 792190844 /nfs/dbraw/zinc/19/08/44/792190844.db2.gz JKBKUILBTGBHHH-GFCCVEGCSA-N 1 0 317.275 2.249 10 0 DEAERO [NH3+]C[C@H]1C[C@@H](C(=O)NCCc2ccc(Cl)cc2Cl)CO1 ZINC000713872763 792264540 /nfs/dbraw/zinc/26/45/40/792264540.db2.gz OODCYQYBMMEWLX-ZYHUDNBSSA-N 1 0 317.216 2.016 10 0 DEAERO CCON1CCC([NH2+]Cc2ncc(Br)s2)CC1 ZINC000714936781 792361017 /nfs/dbraw/zinc/36/10/17/792361017.db2.gz MHTBXCBCTHDVKC-UHFFFAOYSA-N 1 0 320.256 2.411 10 0 DEAERO [NH3+]C1CC(CNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000715109331 792382757 /nfs/dbraw/zinc/38/27/57/792382757.db2.gz MMNJKPCXDKWEOX-UHFFFAOYSA-N 1 0 309.218 2.009 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)NC2CCC(C(F)(F)F)CC2)C1(F)F ZINC000715157281 792398128 /nfs/dbraw/zinc/39/81/28/792398128.db2.gz KBBKTFOKFFFVFB-GEPGNKONSA-N 1 0 300.271 2.064 10 0 DEAERO O=C(NCc1ccccc1Br)C12CC[NH+](CC1)C2 ZINC000715843580 792513143 /nfs/dbraw/zinc/51/31/43/792513143.db2.gz CNWWARITZJJUQF-UHFFFAOYSA-N 1 0 309.207 2.161 10 0 DEAERO CS(=O)(=O)C1CC([NH2+]C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000716092435 792556484 /nfs/dbraw/zinc/55/64/84/792556484.db2.gz QIOAFSVDTURDAM-ROKHWSDSSA-N 1 0 301.452 2.034 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000716754886 793005394 /nfs/dbraw/zinc/00/53/94/793005394.db2.gz VRWCRYDJIPJSDK-NWDGAFQWSA-N 1 0 322.396 2.382 10 0 DEAERO NC(=O)C1CC([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000716756147 793005405 /nfs/dbraw/zinc/00/54/05/793005405.db2.gz VVRUXFUHMKUTMG-KJHLLKJSSA-N 1 0 309.207 2.290 10 0 DEAERO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716855196 793009416 /nfs/dbraw/zinc/00/94/16/793009416.db2.gz VSEXBKDUAXMCBR-OUCADQQQSA-N 1 0 300.443 2.381 10 0 DEAERO CN(C1CC[NH2+]CC1)S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000209255782 799160674 /nfs/dbraw/zinc/16/06/74/799160674.db2.gz XYRZXWOGHPQAOZ-FLIBITNWSA-N 1 0 314.838 2.324 10 0 DEAERO O=C(Cn1ncc2ccccc21)OCCC[NH+]1CCCCC1 ZINC000800166012 799328389 /nfs/dbraw/zinc/32/83/89/799328389.db2.gz YMPKGDCUEYMEBH-UHFFFAOYSA-N 1 0 301.390 2.456 10 0 DEAERO CC1(C)CO[C@@H](CC[NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC000717386773 799393720 /nfs/dbraw/zinc/39/37/20/799393720.db2.gz ICSIWQWCGOYGFO-IRXDYDNUSA-N 1 0 307.434 2.359 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000717595568 799424780 /nfs/dbraw/zinc/42/47/80/799424780.db2.gz SBWZKLRFXVWTHN-VHDGCEQUSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401670563 801839718 /nfs/dbraw/zinc/83/97/18/801839718.db2.gz BBEITRWNDSEETF-HIFRSBDPSA-N 1 0 322.453 2.198 10 0 DEAERO CC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401723888 801846017 /nfs/dbraw/zinc/84/60/17/801846017.db2.gz BXQBETFEIDORHT-MCIONIFRSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCn2ccnc2)CN(C(=O)OC(C)(C)C)C1 ZINC000401726746 801846161 /nfs/dbraw/zinc/84/61/61/801846161.db2.gz MDZYZROFROPMHM-ZIAGYGMSSA-N 1 0 308.426 2.118 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000403605121 801954354 /nfs/dbraw/zinc/95/43/54/801954354.db2.gz SPKUWRSNBGLWBK-JWURUJNWSA-N 1 0 303.493 2.358 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]c2)C12CCC2 ZINC000405337761 802053108 /nfs/dbraw/zinc/05/31/08/802053108.db2.gz GICYKHGTLPDZDG-CHWSQXEVSA-N 1 0 306.410 2.335 10 0 DEAERO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)CCC(C)(C)C1CC1 ZINC000717982992 1081854512 /nfs/dbraw/zinc/85/45/12/1081854512.db2.gz KZKVAKBZNBZIGJ-AWEZNQCLSA-N 1 0 302.484 2.216 10 0 DEAERO O[C@@H](C[NH2+]C[C@@H]1C[C@@H](O)C1)COc1c(Cl)cccc1Cl ZINC000720967707 1085191912 /nfs/dbraw/zinc/19/19/12/1085191912.db2.gz RVWMOXSKJBUYAX-DCAQKATOSA-N 1 0 320.216 2.094 10 0 DEAERO CO[C@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2Br)C1 ZINC000720645730 1085803228 /nfs/dbraw/zinc/80/32/28/1085803228.db2.gz LZIFYTOSECNBSV-QWRGUYRKSA-N 1 0 302.216 2.230 10 0 DEAERO CC[C@@H]([NH2+]Cc1cn(C)nc1Br)[C@@H]1CCOC1 ZINC000720644361 1085807669 /nfs/dbraw/zinc/80/76/69/1085807669.db2.gz AHIJUOMQESSRFH-MWLCHTKSSA-N 1 0 302.216 2.087 10 0 DEAERO [NH3+]C[C@@H]1CN(C(=O)/C=C\c2cccs2)C[C@H]1C(F)(F)F ZINC000720812345 1086152850 /nfs/dbraw/zinc/15/28/50/1086152850.db2.gz UBOMZTFDAGMIAN-QKXNICGJSA-N 1 0 304.337 2.357 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1occc1Br ZINC000720829027 1086183115 /nfs/dbraw/zinc/18/31/15/1086183115.db2.gz LFENRQBYFJTQPI-QWRGUYRKSA-N 1 0 313.195 2.351 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1[NH3+] ZINC000720833020 1086188532 /nfs/dbraw/zinc/18/85/32/1086188532.db2.gz CHUZANKNIBROAI-LLVKDONJSA-N 1 0 323.245 2.351 10 0 DEAERO COc1cncc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1 ZINC000700023126 1086303639 /nfs/dbraw/zinc/30/36/39/1086303639.db2.gz IBILXIOSRJAAPY-WAYWQWQTSA-N 1 0 307.394 2.261 10 0 DEAERO C[C@@H]1CCN(C(=O)/C=C/c2ccc(Br)o2)C[C@@H]1[NH3+] ZINC000700611493 1086321361 /nfs/dbraw/zinc/32/13/61/1086321361.db2.gz YGRAIWUTBVYBHU-FYGOAMBHSA-N 1 0 313.195 2.251 10 0 DEAERO CCn1nccc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000700737146 1086332124 /nfs/dbraw/zinc/33/21/24/1086332124.db2.gz UGFCRRISNPGYNN-GXTWGEPZSA-N 1 0 308.426 2.391 10 0 DEAERO COC(=O)c1sc(N2CC[C@H](CC[NH+](C)C)C2)nc1Cl ZINC000701447685 1086364418 /nfs/dbraw/zinc/36/44/18/1086364418.db2.gz QUBDJGZAGRCQHD-VIFPVBQESA-N 1 0 317.842 2.361 10 0 DEAERO CCn1nccc1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701866012 1086388333 /nfs/dbraw/zinc/38/83/33/1086388333.db2.gz YWVUXCVCEGVRTK-UHFFFAOYSA-N 1 0 320.437 2.392 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CCN2C(C)(C)C)C1 ZINC000701962062 1086396112 /nfs/dbraw/zinc/39/61/12/1086396112.db2.gz VLVSSVNVZAGAOP-UONOGXRCSA-N 1 0 311.470 2.458 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@H]1COCC1(C)C)C2 ZINC000701923659 1086396181 /nfs/dbraw/zinc/39/61/81/1086396181.db2.gz HJHMNFSUJSYAIL-JZLYGMAVSA-N 1 0 310.438 2.401 10 0 DEAERO C[C@H](CO)C[N@@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC000705925128 1086626660 /nfs/dbraw/zinc/62/66/60/1086626660.db2.gz CDVHHFOBTFQKII-YTQUADARSA-N 1 0 302.462 2.459 10 0 DEAERO C[C@H](CO)C[NH+]1C[C@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC000705925123 1086626841 /nfs/dbraw/zinc/62/68/41/1086626841.db2.gz CDVHHFOBTFQKII-QXAKKESOSA-N 1 0 302.462 2.459 10 0 DEAERO Cn1nc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000706155574 1086632633 /nfs/dbraw/zinc/63/26/33/1086632633.db2.gz UNPBUUDGPBFRGO-WCBMZHEXSA-N 1 0 310.751 2.033 10 0 DEAERO Brc1cccnc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709827344 1086684586 /nfs/dbraw/zinc/68/45/86/1086684586.db2.gz KASNZTCWGNWKQY-AWEZNQCLSA-N 1 0 310.239 2.420 10 0 DEAERO CN(CCCCCC[NH3+])C(=O)c1cncc(Br)c1 ZINC000710750399 1086689880 /nfs/dbraw/zinc/68/98/80/1086689880.db2.gz LKCTXPLMCYEQLF-UHFFFAOYSA-N 1 0 314.227 2.435 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000710838478 1086689895 /nfs/dbraw/zinc/68/98/95/1086689895.db2.gz VJBGDKUZEFJXFO-MRXNPFEDSA-N 1 0 320.433 2.047 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]CC(C)(C)CCCO)C1 ZINC000710962419 1086692374 /nfs/dbraw/zinc/69/23/74/1086692374.db2.gz MDVOYCBZOLNRER-UHFFFAOYSA-N 1 0 300.443 2.242 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccc(Br)cc1 ZINC000711270083 1087040488 /nfs/dbraw/zinc/04/04/88/1087040488.db2.gz BDSDPFUJIKWVCG-LBPRGKRZSA-N 1 0 311.223 2.311 10 0 DEAERO Cn1ccnc1C[NH2+][C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711641506 1087181871 /nfs/dbraw/zinc/18/18/71/1087181871.db2.gz RULRCKZZEGKERE-GUYCJALGSA-N 1 0 320.437 2.442 10 0 DEAERO C[C@H](CC(=O)NCc1cnc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000718163660 1088394812 /nfs/dbraw/zinc/39/48/12/1088394812.db2.gz HYXGUDAXERSJGI-ZJUUUORDSA-N 1 0 301.843 2.439 10 0 DEAERO [NH2+]=C(NCc1n[nH]cc1Br)NC1CCCCC1 ZINC000718862496 1088674003 /nfs/dbraw/zinc/67/40/03/1088674003.db2.gz KXXRNCAWAZPRQW-UHFFFAOYSA-N 1 0 300.204 2.119 10 0 DEAERO [NH3+]Cc1nc(CC(=O)NCCSc2ccccc2)cs1 ZINC000719026695 1088766797 /nfs/dbraw/zinc/76/67/97/1088766797.db2.gz ISJMQFNICFTIFT-UHFFFAOYSA-N 1 0 307.444 2.053 10 0 DEAERO COCC[C@@H](COC)[NH2+]Cc1nc(C)c(Br)s1 ZINC000719219344 1088908893 /nfs/dbraw/zinc/90/88/93/1088908893.db2.gz CWOUSTLEJDWNFM-VIFPVBQESA-N 1 0 323.256 2.355 10 0 DEAERO Cc1nc(CN2CCC(C[NH3+])CC2)sc1Br ZINC000719241330 1088912339 /nfs/dbraw/zinc/91/23/39/1088912339.db2.gz QCTFNLHHUGRLPY-UHFFFAOYSA-N 1 0 304.257 2.385 10 0 DEAERO Cc1nc(CN2CCC[C@H]3C[NH2+]C[C@H]32)sc1Br ZINC000719248889 1088913044 /nfs/dbraw/zinc/91/30/44/1088913044.db2.gz ALUOZSWSEFZJEF-VHSXEESVSA-N 1 0 316.268 2.398 10 0 DEAERO Cc1nc(CN2C[C@H](C)[NH2+][C@@H](C)C2)sc1Br ZINC000719241433 1088913399 /nfs/dbraw/zinc/91/33/99/1088913399.db2.gz RIWIADRLYFRNCL-YUMQZZPRSA-N 1 0 304.257 2.396 10 0 DEAERO CO[C@@]1(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CCSC1 ZINC000719322430 1088952369 /nfs/dbraw/zinc/95/23/69/1088952369.db2.gz DCEQTLRKAUNTQO-ZIAGYGMSSA-N 1 0 303.374 2.110 10 0 DEAERO C[C@@H](CC(=O)NCc1ncc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000719403109 1089130401 /nfs/dbraw/zinc/13/04/01/1089130401.db2.gz WJUAAMLEYKRNMV-VHSXEESVSA-N 1 0 301.843 2.439 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CCN1C ZINC000719569995 1089306085 /nfs/dbraw/zinc/30/60/85/1089306085.db2.gz MOUOSMNCBWRMQN-KBUPBQIOSA-N 1 0 311.470 2.457 10 0 DEAERO CCOc1cccc(CCNC(=O)N[C@H]2CCC[N@H+](CC)C2)c1 ZINC000136522328 282087759 /nfs/dbraw/zinc/08/77/59/282087759.db2.gz VMFNNLDAFLTHBW-INIZCTEOSA-N 1 0 319.449 2.411 10 0 DEAERO COc1ccc2c(c1)CC[C@H](Sc1nccc(=O)[nH]1)[C@@H]2[NH3+] ZINC000081774400 192322292 /nfs/dbraw/zinc/32/22/92/192322292.db2.gz WLTQOUUDFGUKGD-GXTWGEPZSA-N 1 0 303.387 2.298 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000278385916 214133585 /nfs/dbraw/zinc/13/35/85/214133585.db2.gz BCATUIGZUXGUJD-KRWDZBQOSA-N 1 0 319.449 2.375 10 0 DEAERO CCC[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000150887545 282107152 /nfs/dbraw/zinc/10/71/52/282107152.db2.gz ILXSAYIESJIPJD-HOTGVXAUSA-N 1 0 311.470 2.319 10 0 DEAERO [NH3+][C@@H]1c2ccccc2CC[C@@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000081880212 192334224 /nfs/dbraw/zinc/33/42/24/192334224.db2.gz DFKJUTLLEOQCTN-QWHCGFSZSA-N 1 0 302.403 2.013 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1Sc1ncc(C)cn1)OCCO2 ZINC000081893741 192334404 /nfs/dbraw/zinc/33/44/04/192334404.db2.gz VMUIREOPBVNARU-STQMWFEESA-N 1 0 309.435 2.151 10 0 DEAERO [NH3+][C@H]1c2ccccc2CC[C@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000081880215 192334410 /nfs/dbraw/zinc/33/44/10/192334410.db2.gz DFKJUTLLEOQCTN-OLZOCXBDSA-N 1 0 302.403 2.013 10 0 DEAERO C[NH2+][C@H](c1ccccc1)[C@H](Sc1n[nH]c(=O)n1C)C(C)C ZINC000081880533 192334668 /nfs/dbraw/zinc/33/46/68/192334668.db2.gz SLFWPDLUCTUOLB-CHWSQXEVSA-N 1 0 306.435 2.186 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1Sc1ccncn1)OCCO2 ZINC000081886887 192334784 /nfs/dbraw/zinc/33/47/84/192334784.db2.gz NHZGFXARHPHFQM-STQMWFEESA-N 1 0 309.435 2.233 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)CC)c1ccc(OC)c(OC)c1 ZINC000081925003 192340284 /nfs/dbraw/zinc/34/02/84/192340284.db2.gz YTZIPDMXEIHIPB-ZDUSSCGKSA-N 1 0 315.435 2.179 10 0 DEAERO C[NH2+][C@H](C)[C@H](C)S(=O)(=O)c1ccccc1Br ZINC000081931608 192340649 /nfs/dbraw/zinc/34/06/49/192340649.db2.gz NOBJQKMATTWVFM-BDAKNGLRSA-N 1 0 306.225 2.219 10 0 DEAERO CC[C@@H]1CCN(S(=O)(=O)c2c(C)oc(C)c2C[NH2+]C)C1 ZINC000163563702 197638744 /nfs/dbraw/zinc/63/87/44/197638744.db2.gz PGGDVYNDRDIBOR-GFCCVEGCSA-N 1 0 300.424 2.036 10 0 DEAERO C[NH2+][C@H](C)[C@@H](C)S(=O)(=O)c1ccccc1Br ZINC000081931601 192340975 /nfs/dbraw/zinc/34/09/75/192340975.db2.gz NOBJQKMATTWVFM-RKDXNWHRSA-N 1 0 306.225 2.219 10 0 DEAERO C[NH2+][C@H](C)CCCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936057 192342300 /nfs/dbraw/zinc/34/23/00/192342300.db2.gz CNOBVZNIIHRKRT-GFCCVEGCSA-N 1 0 313.419 2.010 10 0 DEAERO C[C@@H]([NH2+]CCCS(N)(=O)=O)c1ccc(-c2cccnc2)cc1 ZINC000181282361 199275700 /nfs/dbraw/zinc/27/57/00/199275700.db2.gz RRGZDPUFWMMFKT-CYBMUJFWSA-N 1 0 319.430 2.078 10 0 DEAERO CC[C@H](C)S(=O)(=O)C[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000081937079 192343094 /nfs/dbraw/zinc/34/30/94/192343094.db2.gz HCQXUQLHQGKDGX-WCQYABFASA-N 1 0 315.435 2.178 10 0 DEAERO CCCS(=O)(=O)C[C@@H]([NH2+]CC)c1ccc(OC)c(OC)c1 ZINC000081940953 192343641 /nfs/dbraw/zinc/34/36/41/192343641.db2.gz AGJWIOZWSQYYEY-CYBMUJFWSA-N 1 0 315.435 2.179 10 0 DEAERO COc1ccccc1[C@@H]1CN(C(C)C)C(=O)C12CC[NH2+]CC2 ZINC000079026809 185147219 /nfs/dbraw/zinc/14/72/19/185147219.db2.gz ATWATBQIKNIMFX-HNNXBMFYSA-N 1 0 302.418 2.399 10 0 DEAERO Cc1cnc([C@@H](C)NC(=O)N2CCC[N@@H+](C3CC3)CC2)s1 ZINC000079086404 185155876 /nfs/dbraw/zinc/15/58/76/185155876.db2.gz QKBJTHFORARQMW-GFCCVEGCSA-N 1 0 308.451 2.392 10 0 DEAERO COC(=O)CN(C(=O)CC[C@@H](CC[NH3+])C(C)(C)C)C(C)C ZINC000079291139 185163613 /nfs/dbraw/zinc/16/36/13/185163613.db2.gz YKHVSXWIXFHYKK-ZDUSSCGKSA-N 1 0 300.443 2.188 10 0 DEAERO CCC[C@@H](CC[NH3+])CCC(=O)N(CCOC)[C@H](C)COC ZINC000079240847 185162258 /nfs/dbraw/zinc/16/22/58/185162258.db2.gz MDIWBWGYFZMQPO-HUUCEWRRSA-N 1 0 302.459 2.042 10 0 DEAERO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)NCC(F)(F)F ZINC000152921661 282157555 /nfs/dbraw/zinc/15/75/55/282157555.db2.gz AUFAZBVSXLYKBO-GFCCVEGCSA-N 1 0 308.344 2.089 10 0 DEAERO Nc1cc[nH+]cc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000082315452 185175568 /nfs/dbraw/zinc/17/55/68/185175568.db2.gz CGHKUGUKJBUOEL-QPJJXVBHSA-N 1 0 322.412 2.135 10 0 DEAERO O=C(c1ccc(I)cc1)[C@H]1CCC[NH2+]1 ZINC000082954550 185209573 /nfs/dbraw/zinc/20/95/73/185209573.db2.gz SRRJFVVYAGWFTN-SNVBAGLBSA-N 1 0 301.127 2.226 10 0 DEAERO O[C@H](c1ccc(I)cc1)[C@@H]1CCC[NH2+]1 ZINC000082954582 185209608 /nfs/dbraw/zinc/20/96/08/185209608.db2.gz UKXORRIGOGAIFN-WDEREUQCSA-N 1 0 303.143 2.077 10 0 DEAERO C[C@@H](C[C@](C)([NH3+])CO)Sc1ncccc1Br ZINC000082905355 185209611 /nfs/dbraw/zinc/20/96/11/185209611.db2.gz GNFGBAFAEJVSHX-KWQFWETISA-N 1 0 305.241 2.425 10 0 DEAERO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000083253737 185221613 /nfs/dbraw/zinc/22/16/13/185221613.db2.gz YPAMJZKWACWRKF-HNNXBMFYSA-N 1 0 311.470 2.447 10 0 DEAERO O=C(C[C@H]1CCCCC(=O)N1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000328682556 231304183 /nfs/dbraw/zinc/30/41/83/231304183.db2.gz VRMDDCIQMJFURA-CABCVRRESA-N 1 0 307.438 2.362 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H](C[NH3+])C(C)C)ccc1OC(C)C ZINC000087404707 185223990 /nfs/dbraw/zinc/22/39/90/185223990.db2.gz VQYGJOMEQXFVNE-AWEZNQCLSA-N 1 0 314.451 2.044 10 0 DEAERO CC(C)c1cccc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000173150128 282187327 /nfs/dbraw/zinc/18/73/27/282187327.db2.gz CGLAHFMEFVIOIR-CQSZACIVSA-N 1 0 310.463 2.382 10 0 DEAERO CC(C)[C@H](C[NH3+])C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000087516487 185227447 /nfs/dbraw/zinc/22/74/47/185227447.db2.gz GHYKWXWDADUWKR-NSHDSACASA-N 1 0 311.813 2.211 10 0 DEAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000087516364 185227570 /nfs/dbraw/zinc/22/75/70/185227570.db2.gz ANNPVKFNXNJSPV-GFCCVEGCSA-N 1 0 311.813 2.211 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC2(C1)CCCCC2 ZINC000173173258 282188328 /nfs/dbraw/zinc/18/83/28/282188328.db2.gz KPUQAOVOADQUFR-INIZCTEOSA-N 1 0 323.481 2.463 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000189053104 529510091 /nfs/dbraw/zinc/51/00/91/529510091.db2.gz AICVKTFESDDQIK-AWEZNQCLSA-N 1 0 300.805 2.368 10 0 DEAERO CC(C)([NH3+])C(C)(C)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000087628029 185229449 /nfs/dbraw/zinc/22/94/49/185229449.db2.gz WHLBOKMCLLHNIG-STQMWFEESA-N 1 0 314.495 2.263 10 0 DEAERO C[C@H](C[NH3+])C[S@](=O)Cc1ccc(Br)cc1F ZINC000088089825 185239525 /nfs/dbraw/zinc/23/95/25/185239525.db2.gz UXMUKGUREDYOGO-VPTHRUTESA-N 1 0 308.216 2.432 10 0 DEAERO [NH3+]C[C@H](NC[C@H]1CCCO1)c1ccccc1OC(F)(F)F ZINC000087928561 185237615 /nfs/dbraw/zinc/23/76/15/185237615.db2.gz PXOMHDBGJNOACU-PWSUYJOCSA-N 1 0 304.312 2.354 10 0 DEAERO COc1ccc(Br)cc1C[C@](C)(C[NH3+])[C@H](C)O ZINC000087932060 185237679 /nfs/dbraw/zinc/23/76/79/185237679.db2.gz NFHPIWGFYLGNCH-TVQRCGJNSA-N 1 0 302.212 2.346 10 0 DEAERO Ic1cnn([C@H]2CC[C@@H]2C[NH2+]C2CC2)c1 ZINC000087923952 185237722 /nfs/dbraw/zinc/23/77/22/185237722.db2.gz BJHJUKMRJXPKHU-KCJUWKMLSA-N 1 0 317.174 2.191 10 0 DEAERO COc1ccc(Br)c(C[C@]2(C[NH3+])CCC[C@H]2O)c1 ZINC000087931906 185237796 /nfs/dbraw/zinc/23/77/96/185237796.db2.gz VPWVJEVLTHPDBK-KGLIPLIRSA-N 1 0 314.223 2.490 10 0 DEAERO C[NH2+][C@@H](Cc1cc(Br)ccc1F)[C@@H]1COCCO1 ZINC000087857662 185233617 /nfs/dbraw/zinc/23/36/17/185233617.db2.gz ZKIMPCZPFRBFMO-STQMWFEESA-N 1 0 318.186 2.134 10 0 DEAERO CC[C@H]1CCCN(c2nc(NN)[nH+]cc2Br)C1 ZINC000087854434 185233690 /nfs/dbraw/zinc/23/36/90/185233690.db2.gz MIEOUHOKAKGNAI-QMMMGPOBSA-N 1 0 300.204 2.151 10 0 DEAERO C[NH2+][C@H](Cc1cc(F)ccc1Br)[C@H]1COCCO1 ZINC000087857829 185233811 /nfs/dbraw/zinc/23/38/11/185233811.db2.gz LYACJXPPDOIBPQ-CHWSQXEVSA-N 1 0 318.186 2.134 10 0 DEAERO CC[NH2+][C@H](Cc1sccc1Br)[C@H]1COCCO1 ZINC000087857905 185233844 /nfs/dbraw/zinc/23/38/44/185233844.db2.gz MQPWUSMPUYQFOB-GHMZBOCLSA-N 1 0 320.252 2.447 10 0 DEAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328919433 231387039 /nfs/dbraw/zinc/38/70/39/231387039.db2.gz SLTWYJZKKOXZHY-IFOZYUSPSA-N 1 0 307.438 2.263 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(OC)c2O)C1 ZINC000175313113 282194500 /nfs/dbraw/zinc/19/45/00/282194500.db2.gz GTQFTCPIPLSZEX-ZDUSSCGKSA-N 1 0 306.406 2.205 10 0 DEAERO CCc1ccccc1CC[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000444676549 529577211 /nfs/dbraw/zinc/57/72/11/529577211.db2.gz QWQSXOPULDDYQR-UHFFFAOYSA-N 1 0 318.461 2.361 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c1 ZINC000088321413 185245447 /nfs/dbraw/zinc/24/54/47/185245447.db2.gz FEYQFJYGOHYGMN-SCZZXKLOSA-N 1 0 313.195 2.252 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCC(C(F)(F)F)CC1 ZINC000088417172 185249095 /nfs/dbraw/zinc/24/90/95/185249095.db2.gz ZQRPMJNOQHZZSG-QWHCGFSZSA-N 1 0 304.360 2.473 10 0 DEAERO CC[NH2+][C@](C)(C[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC000088435411 185250486 /nfs/dbraw/zinc/25/04/86/185250486.db2.gz PQYNMSBPKIYAII-GMXVVIOVSA-N 1 0 310.360 2.492 10 0 DEAERO CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H]1C ZINC000088540955 185255604 /nfs/dbraw/zinc/25/56/04/185255604.db2.gz PECFKYFFOMDOGX-BZPMIXESSA-N 1 0 314.451 2.444 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)CC)o1 ZINC000088542911 185256336 /nfs/dbraw/zinc/25/63/36/185256336.db2.gz RBHICWPDJULRCL-VXGBXAGGSA-N 1 0 302.440 2.492 10 0 DEAERO CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088542940 185256477 /nfs/dbraw/zinc/25/64/77/185256477.db2.gz AJTHHDFXRQWKJC-VXGBXAGGSA-N 1 0 302.440 2.491 10 0 DEAERO Cc1nc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)sc1C ZINC000088598671 185259099 /nfs/dbraw/zinc/25/90/99/185259099.db2.gz KIDIGMJGIGZSMG-INIZCTEOSA-N 1 0 322.522 2.362 10 0 DEAERO Cc1cc(C)c2c(N)c(C(=O)NC[C@H](C)[NH+](C)C)sc2n1 ZINC000088642589 185261222 /nfs/dbraw/zinc/26/12/22/185261222.db2.gz TUAHBYBTIPMRSQ-JTQLQIEISA-N 1 0 306.435 2.175 10 0 DEAERO CCOC(=O)COC[C@@H]([NH3+])c1cc(Br)sc1C ZINC000088648312 185261516 /nfs/dbraw/zinc/26/15/16/185261516.db2.gz GYBGIQWTRKMXOX-SECBINFHSA-N 1 0 322.224 2.399 10 0 DEAERO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)C1=O ZINC000088775089 185265432 /nfs/dbraw/zinc/26/54/32/185265432.db2.gz UYPGWKWQLVKDRB-SNVBAGLBSA-N 1 0 318.320 2.145 10 0 DEAERO CC(C)[NH2+]Cc1nnc(-c2ccc(S(C)(=O)=O)cc2)s1 ZINC000088814773 185266303 /nfs/dbraw/zinc/26/63/03/185266303.db2.gz ZKVQBWRERMSUGC-UHFFFAOYSA-N 1 0 311.432 2.107 10 0 DEAERO Cc1ccccc1S(=O)(=O)NC1(C(N)=[NH2+])CCCCCC1 ZINC000088716972 185263118 /nfs/dbraw/zinc/26/31/18/185263118.db2.gz IQFCARFQJOGEDI-UHFFFAOYSA-N 1 0 309.435 2.302 10 0 DEAERO O=C(CCOC1CC[NH2+]CC1)Nc1c(F)cc(F)cc1F ZINC000088721252 185263325 /nfs/dbraw/zinc/26/33/25/185263325.db2.gz WYIMUWNYNPTCMR-UHFFFAOYSA-N 1 0 302.296 2.201 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982902 192349605 /nfs/dbraw/zinc/34/96/05/192349605.db2.gz MALSJWIGRFPKLF-QWRGUYRKSA-N 1 0 304.209 2.103 10 0 DEAERO COc1ccccc1[S@@](=O)[C@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000081999989 192353210 /nfs/dbraw/zinc/35/32/10/192353210.db2.gz RXOKOHNSMRXOOK-QYWGDWMGSA-N 1 0 303.383 2.264 10 0 DEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@@H](O)COc1cccc(Cl)c1 ZINC000090272217 185288695 /nfs/dbraw/zinc/28/86/95/185288695.db2.gz FEVHHAXJNVWVOT-GDBMZVCRSA-N 1 0 315.841 2.466 10 0 DEAERO CCCN(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000090294238 185289976 /nfs/dbraw/zinc/28/99/76/185289976.db2.gz QIYXCLILBDYHKR-UHFFFAOYSA-N 1 0 322.352 2.168 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1ccc(Cl)cc1Cl ZINC000090312049 185290548 /nfs/dbraw/zinc/29/05/48/185290548.db2.gz ZNPLTRAMSIRPQP-UTUOFQBUSA-N 1 0 303.189 2.228 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1cc(SC)ccc1Cl ZINC000090311745 185290584 /nfs/dbraw/zinc/29/05/84/185290584.db2.gz NFVMUYADKDBEHF-UPJWGTAASA-N 1 0 314.838 2.296 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1c1nc(CSc2ccc(Cl)cc2)no1 ZINC000090365064 185292676 /nfs/dbraw/zinc/29/26/76/185292676.db2.gz CTEPPMZYCDNDTI-WDEREUQCSA-N 1 0 311.794 2.456 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000090364355 185292899 /nfs/dbraw/zinc/29/28/99/185292899.db2.gz JGNJKGUCKPJVHU-GXSJLCMTSA-N 1 0 314.172 2.408 10 0 DEAERO CC[C@H]([NH3+])Cc1cccc(Cl)c1OCCS(=O)(=O)CC ZINC000166258806 197689891 /nfs/dbraw/zinc/68/98/91/197689891.db2.gz GOQYMYOOICQYNE-LBPRGKRZSA-N 1 0 319.854 2.433 10 0 DEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccccc1Br ZINC000090487824 185298807 /nfs/dbraw/zinc/29/88/07/185298807.db2.gz LIEPEDKUDDQSAL-SKDRFNHKSA-N 1 0 313.195 2.012 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CC(F)(F)F)C(CC)CC ZINC000090490289 185299017 /nfs/dbraw/zinc/29/90/17/185299017.db2.gz FBDKNSDPHXCWTB-NWDGAFQWSA-N 1 0 310.360 2.190 10 0 DEAERO CCCCN(CC(F)(F)F)C(=O)[C@@H]1COC[C@H]1[NH2+]CCC ZINC000090541949 185301807 /nfs/dbraw/zinc/30/18/07/185301807.db2.gz AFWKEEFRWHHMNX-VXGBXAGGSA-N 1 0 310.360 2.192 10 0 DEAERO CCO[C@]1([C@@H](CCCS(C)(=O)=O)[NH2+]C)CCC[C@@H](C)C1 ZINC000166515391 197694330 /nfs/dbraw/zinc/69/43/30/197694330.db2.gz VZXZCPBBVCGRBP-RBSFLKMASA-N 1 0 305.484 2.385 10 0 DEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccc(F)cc1F ZINC000090700057 185310407 /nfs/dbraw/zinc/31/04/07/185310407.db2.gz JQNDKQMYLLEORQ-LBPRGKRZSA-N 1 0 314.401 2.474 10 0 DEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1cc(C2CC2)on1 ZINC000090700168 185310498 /nfs/dbraw/zinc/31/04/98/185310498.db2.gz OZESDRCBGCOFQS-GFCCVEGCSA-N 1 0 309.435 2.061 10 0 DEAERO CC(C)(CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccncc1 ZINC000092362343 185313943 /nfs/dbraw/zinc/31/39/43/185313943.db2.gz DZHLOXAWHCKVEL-INIZCTEOSA-N 1 0 316.449 2.239 10 0 DEAERO CCS(=O)(=O)CCC[C@@]1([NH3+])CCCc2ccc(OC)cc21 ZINC000092367306 185314399 /nfs/dbraw/zinc/31/43/99/185314399.db2.gz SJJNSQDLLRBYCO-INIZCTEOSA-N 1 0 311.447 2.400 10 0 DEAERO CC[N@@H+](Cc1cc(OC)c2c(c1)OCCO2)C[C@@H]1CCCO1 ZINC000092407164 185316535 /nfs/dbraw/zinc/31/65/35/185316535.db2.gz JTGBGNNLJJUZBM-AWEZNQCLSA-N 1 0 307.390 2.467 10 0 DEAERO Cc1ccn2c(C[N@@H+]3CCC[C@H](CCC(N)=O)C3)cnc2c1 ZINC000092660226 185332041 /nfs/dbraw/zinc/33/20/41/185332041.db2.gz WMEGTCBDDZFMIW-CQSZACIVSA-N 1 0 300.406 2.120 10 0 DEAERO C[C@H]([NH3+])Cc1ccc(N2CCS(=O)CC2)cc1C(F)(F)F ZINC000167530333 197710543 /nfs/dbraw/zinc/71/05/43/197710543.db2.gz YGNQRYXMSNGSQK-JTQLQIEISA-N 1 0 320.380 2.164 10 0 DEAERO C[C@H](c1ccccc1Cl)N(C)C(=O)CN1CCC([NH3+])CC1 ZINC000092714094 185335692 /nfs/dbraw/zinc/33/56/92/185335692.db2.gz UPLMOFLLDLTFAE-GFCCVEGCSA-N 1 0 309.841 2.283 10 0 DEAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000092754885 185338109 /nfs/dbraw/zinc/33/81/09/185338109.db2.gz KTAUKNILZKFGKX-CYBMUJFWSA-N 1 0 308.422 2.145 10 0 DEAERO C[NH2+]Cc1ccc(F)c(S(=O)(=O)NC2C(C)(C)C2(C)C)c1 ZINC000092833213 185344807 /nfs/dbraw/zinc/34/48/07/185344807.db2.gz IUYUTAQJTQYXTA-UHFFFAOYSA-N 1 0 314.426 2.258 10 0 DEAERO C[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833194 185344923 /nfs/dbraw/zinc/34/49/23/185344923.db2.gz HJLYGNIQSNITBK-UHFFFAOYSA-N 1 0 314.451 2.329 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(O)ccc2C(F)(F)F)C1 ZINC000193137695 282263757 /nfs/dbraw/zinc/26/37/57/282263757.db2.gz URYAHZINJQXEFW-VIFPVBQESA-N 1 0 302.296 2.187 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)no1 ZINC000442108185 529712698 /nfs/dbraw/zinc/71/26/98/529712698.db2.gz AOIHUCTXUODUOR-VXGBXAGGSA-N 1 0 323.441 2.039 10 0 DEAERO C[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)C1CCCC1 ZINC000092911532 185348538 /nfs/dbraw/zinc/34/85/38/185348538.db2.gz BJWVZYLHZXNGNP-JKSUJKDBSA-N 1 0 309.431 2.238 10 0 DEAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000092953375 185350461 /nfs/dbraw/zinc/35/04/61/185350461.db2.gz UPBLCABWXJUTLS-PWSUYJOCSA-N 1 0 304.781 2.462 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000168426467 197723071 /nfs/dbraw/zinc/72/30/71/197723071.db2.gz MOPNMLSQIYICPU-DVOMOZLQSA-N 1 0 307.463 2.142 10 0 DEAERO CCC(CC)[C@H](O)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075314592 282279265 /nfs/dbraw/zinc/27/92/65/282279265.db2.gz QNHUJHOODNLBED-WTXIUTQJSA-N 1 0 311.470 2.098 10 0 DEAERO CSc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000021518254 539330251 /nfs/dbraw/zinc/33/02/51/539330251.db2.gz MRLHTHUODYXWQN-UHFFFAOYSA-N 1 0 322.455 2.346 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ncnc3c2ncn3C2CC2)C1 ZINC000292850120 529799458 /nfs/dbraw/zinc/79/94/58/529799458.db2.gz WBBYKNCXGSMNHV-GXTWGEPZSA-N 1 0 312.421 2.082 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186448382 282307226 /nfs/dbraw/zinc/30/72/26/282307226.db2.gz ZNNKDTPIUMFINL-LJQANCHMSA-N 1 0 323.396 2.419 10 0 DEAERO C[C@H]1C[C@@H](NCc2cc(C(N)=O)co2)C[N@@H+]1Cc1ccccc1 ZINC000189411360 282309190 /nfs/dbraw/zinc/30/91/90/282309190.db2.gz MPEBUXJYLNVPRL-XJKSGUPXSA-N 1 0 313.401 2.131 10 0 DEAERO CCNC(=O)NC(=O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000183130096 199542829 /nfs/dbraw/zinc/54/28/29/199542829.db2.gz UQXFOQZOLLQVLD-HNNXBMFYSA-N 1 0 303.406 2.135 10 0 DEAERO C[N@H+](CCn1ccnc1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000328649866 529940897 /nfs/dbraw/zinc/94/08/97/529940897.db2.gz VHKDDOBZDWPMFR-GJZGRUSLSA-N 1 0 322.453 2.489 10 0 DEAERO CNC(=O)c1cccnc1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000302163229 529951918 /nfs/dbraw/zinc/95/19/18/529951918.db2.gz ILSVKWXOTFSTCM-WMLDXEAASA-N 1 0 324.428 2.374 10 0 DEAERO CNC(=O)c1cccnc1N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000301999529 529951959 /nfs/dbraw/zinc/95/19/59/529951959.db2.gz IMJSKFHOVTZHPD-CQSZACIVSA-N 1 0 312.417 2.374 10 0 DEAERO Cc1cnc([C@H](C)CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)s1 ZINC000183192998 199553552 /nfs/dbraw/zinc/55/35/52/199553552.db2.gz NPUIRPNOXRHMJG-OCCSQVGLSA-N 1 0 320.462 2.211 10 0 DEAERO C[N@@H+]1CCC[C@H](CNc2ccc3nnnn3n2)[C@H]1c1ccccc1 ZINC000252477143 530061153 /nfs/dbraw/zinc/06/11/53/530061153.db2.gz IYCRVFMRRVYHFZ-RHSMWYFYSA-N 1 0 323.404 2.014 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000089453287 539410714 /nfs/dbraw/zinc/41/07/14/539410714.db2.gz ZTEAIZPVTXIQFH-GXSJLCMTSA-N 1 0 305.403 2.044 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000089744041 539413070 /nfs/dbraw/zinc/41/30/70/539413070.db2.gz LNJBHTAMEVHSJJ-KGLIPLIRSA-N 1 0 308.447 2.255 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCC2CCCCC2)[C@@H](C)C1 ZINC000245414258 282386236 /nfs/dbraw/zinc/38/62/36/282386236.db2.gz CDDIHJYJEQKMLG-RDJZCZTQSA-N 1 0 309.498 2.345 10 0 DEAERO Cc1noc(C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CC2)n1 ZINC000262434237 282394440 /nfs/dbraw/zinc/39/44/40/282394440.db2.gz KYBYZGHOYOKQAK-KFWWJZLASA-N 1 0 318.421 2.005 10 0 DEAERO CN(Cc1cc(Br)ccc1F)C[C@@H]1C[NH2+]CCO1 ZINC000125359708 539473086 /nfs/dbraw/zinc/47/30/86/539473086.db2.gz QZBONGLHHKILOL-LBPRGKRZSA-N 1 0 317.202 2.008 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000333790039 282966685 /nfs/dbraw/zinc/96/66/85/282966685.db2.gz MIKFOBWRHMXMAE-AQNFWKISSA-N 1 0 307.825 2.493 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111271336 185569715 /nfs/dbraw/zinc/56/97/15/185569715.db2.gz UGVXVRBSPFNGAI-JOYOIKCWSA-N 1 0 310.419 2.281 10 0 DEAERO CC(C)[C@H]1N(C(=O)NCC2([NH3+])CCCCC2)C[C@@]12CCCO2 ZINC000333794406 282967869 /nfs/dbraw/zinc/96/78/69/282967869.db2.gz GSLGSJSFBHQFDY-PBHICJAKSA-N 1 0 309.454 2.247 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cnn2ccc(C)nc12 ZINC000068757416 190781656 /nfs/dbraw/zinc/78/16/56/190781656.db2.gz NLBSRVZAJPJSTL-ZDUSSCGKSA-N 1 0 317.437 2.278 10 0 DEAERO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cccc(-n2ccnc2)c1 ZINC000249443894 282560938 /nfs/dbraw/zinc/56/09/38/282560938.db2.gz FQVBFUCESMKIIV-JKSUJKDBSA-N 1 0 314.433 2.244 10 0 DEAERO [NH3+]CC1(C(=O)Cc2ccccc2Br)CCOCC1 ZINC000123889413 185853051 /nfs/dbraw/zinc/85/30/51/185853051.db2.gz ZEQGHGBIDDISHO-UHFFFAOYSA-N 1 0 312.207 2.316 10 0 DEAERO COCCN1CC[C@H]([NH3+])[C@@H]1c1ccc(F)c(Br)c1 ZINC000070300403 190878381 /nfs/dbraw/zinc/87/83/81/190878381.db2.gz GOIQWBZEXOMOHB-STQMWFEESA-N 1 0 317.202 2.309 10 0 DEAERO O=C(NC1CC1)[C@@]1(Cc2cccc(-c3cncnc3)c2)CCC[NH2+]1 ZINC000616575312 362893549 /nfs/dbraw/zinc/89/35/49/362893549.db2.gz JJRDVSYZEZUJDC-IBGZPJMESA-N 1 0 322.412 2.087 10 0 DEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccccc1CCO ZINC000616636266 362902175 /nfs/dbraw/zinc/90/21/75/362902175.db2.gz ULUNFTDZUOCIDJ-HNNXBMFYSA-N 1 0 306.406 2.103 10 0 DEAERO CC(C)(C)OC(=O)NCC[C@@H]1c2ccccc2CC[N@H+]1CCO ZINC000616679770 362908857 /nfs/dbraw/zinc/90/88/57/362908857.db2.gz WXASBCGQDYVVEF-MRXNPFEDSA-N 1 0 320.433 2.493 10 0 DEAERO CC(C)(C)OC(=O)NCCN1C[C@H](CC[NH3+])Nc2ccccc21 ZINC000616686223 362909748 /nfs/dbraw/zinc/90/97/48/362909748.db2.gz YXCSHUYGNXHOGY-ZDUSSCGKSA-N 1 0 320.437 2.161 10 0 DEAERO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000279868904 215193558 /nfs/dbraw/zinc/19/35/58/215193558.db2.gz SZGOYVMQCQQVNZ-HNNXBMFYSA-N 1 0 312.417 2.425 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)/C=C\c2nc3ccccc3s2)C1 ZINC000255076829 282613746 /nfs/dbraw/zinc/61/37/46/282613746.db2.gz CZUXPKRRNQLOOU-QDZRJHCZSA-N 1 0 301.415 2.472 10 0 DEAERO C[C@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccoc1 ZINC000177918722 539633273 /nfs/dbraw/zinc/63/32/73/539633273.db2.gz YUTJNISXIXGEJF-KSSFIOAISA-N 1 0 300.402 2.349 10 0 DEAERO [NH3+][C@@H]1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)C1 ZINC000070458011 190897005 /nfs/dbraw/zinc/89/70/05/190897005.db2.gz DPDULQFWWIVKGY-CYBMUJFWSA-N 1 0 307.357 2.336 10 0 DEAERO [NH3+][C@@H]1CCN(c2cc(-c3nc(-c4ccccc4)no3)ccn2)C1 ZINC000070458201 190897431 /nfs/dbraw/zinc/89/74/31/190897431.db2.gz CSDWKHRNKIAFNX-CQSZACIVSA-N 1 0 307.357 2.336 10 0 DEAERO [NH3+][C@@H]1CCN(c2cc(-c3cccnc3)nc(-c3ccncc3)n2)C1 ZINC000070455870 190895600 /nfs/dbraw/zinc/89/56/00/190895600.db2.gz QMPZTKBYUUERJJ-OAHLLOKOSA-N 1 0 318.384 2.138 10 0 DEAERO CC(C)C[NH2+]C[C@H]1CC[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000127120499 185918583 /nfs/dbraw/zinc/91/85/83/185918583.db2.gz GSJLGEFZPHTCBA-KGLIPLIRSA-N 1 0 307.404 2.191 10 0 DEAERO C[C@@H]1CN(CC(=O)Nc2ncc(Cl)cc2Cl)C[C@@H](C)[NH2+]1 ZINC000070543225 190905251 /nfs/dbraw/zinc/90/52/51/190905251.db2.gz GPXLOQQVRUCDIR-RKDXNWHRSA-N 1 0 317.220 2.009 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H](CC)C2)CC1 ZINC000080456480 192158931 /nfs/dbraw/zinc/15/89/31/192158931.db2.gz NNSHFPGCZZGYKY-DZGCQCFKSA-N 1 0 302.484 2.359 10 0 DEAERO Cc1cccc(OCCCNC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000183197287 539660457 /nfs/dbraw/zinc/66/04/57/539660457.db2.gz VCENULKSKXABJG-RDJZCZTQSA-N 1 0 320.433 2.037 10 0 DEAERO Cc1cc(Cl)c(CN(C)CCN2CC[NH2+]CC2)c(Cl)n1 ZINC000071150280 190936749 /nfs/dbraw/zinc/93/67/49/190936749.db2.gz HINIVIGGTAAGPR-UHFFFAOYSA-N 1 0 317.264 2.034 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(I)cc1 ZINC000083604095 192375816 /nfs/dbraw/zinc/37/58/16/192375816.db2.gz CSVJOVPJGQBJBJ-QMMMGPOBSA-N 1 0 318.158 2.215 10 0 DEAERO C[NH2+][C@@H](Cc1cc(Br)cs1)[C@H]1COCCO1 ZINC000083743398 192380665 /nfs/dbraw/zinc/38/06/65/192380665.db2.gz LPZITHKCCPQEIH-WDEREUQCSA-N 1 0 306.225 2.057 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(C(F)(F)F)ccn2)C1 ZINC000192424575 539706282 /nfs/dbraw/zinc/70/62/82/539706282.db2.gz UMQUIVXYKVAIFT-JTQLQIEISA-N 1 0 302.300 2.268 10 0 DEAERO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000193817768 539715421 /nfs/dbraw/zinc/71/54/21/539715421.db2.gz XKSJBUZEAPXNGS-OAHLLOKOSA-N 1 0 303.450 2.060 10 0 DEAERO [NH3+][C@@H](Cc1ccc(I)cc1)[C@H]1CCCO1 ZINC000083850939 192386472 /nfs/dbraw/zinc/38/64/72/192386472.db2.gz OSQPIVYVXADMAI-NWDGAFQWSA-N 1 0 317.170 2.340 10 0 DEAERO CC[NH2+][C@@H](COC)Cc1ccc(I)cc1 ZINC000083850788 192386475 /nfs/dbraw/zinc/38/64/75/192386475.db2.gz FHOVAGGOOYGSSM-GFCCVEGCSA-N 1 0 319.186 2.458 10 0 DEAERO COC[C@@](C)([NH3+])Cc1ccc(I)cc1 ZINC000083850477 192386833 /nfs/dbraw/zinc/38/68/33/192386833.db2.gz MNJCNCKOSKPPQT-NSHDSACASA-N 1 0 305.159 2.198 10 0 DEAERO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cccc2ccccc21 ZINC000083995962 192395397 /nfs/dbraw/zinc/39/53/97/192395397.db2.gz OSHIXTOWYMEVCK-CYBMUJFWSA-N 1 0 306.431 2.458 10 0 DEAERO COc1cccc([S@@](=O)[C@@H]2COc3ccccc3[C@@H]2[NH3+])c1 ZINC000084003180 192395670 /nfs/dbraw/zinc/39/56/70/192395670.db2.gz BHEGFDGZLWPHIV-XFQAVAEZSA-N 1 0 303.383 2.264 10 0 DEAERO [NH3+][C@H](C[S@](=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000084030530 192396052 /nfs/dbraw/zinc/39/60/52/192396052.db2.gz ZZHCSZPSVCSUHK-BIBXISHDSA-N 1 0 309.412 2.327 10 0 DEAERO C[NH2+][C@H](C[S@](=O)CCOC)c1cccc(C(F)(F)F)c1 ZINC000084035325 192396690 /nfs/dbraw/zinc/39/66/90/192396690.db2.gz XKZWKIMUXBNGGO-ODXCJYRJSA-N 1 0 309.353 2.361 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)s1 ZINC000226025174 539730581 /nfs/dbraw/zinc/73/05/81/539730581.db2.gz WHLCAOGHTZCGIL-CMPLNLGQSA-N 1 0 302.465 2.058 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)s1 ZINC000226025190 539730611 /nfs/dbraw/zinc/73/06/11/539730611.db2.gz WHLCAOGHTZCGIL-JQWIXIFHSA-N 1 0 302.465 2.058 10 0 DEAERO CC(C)[C@@H]1C[C@@H](CNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCO1 ZINC000333835827 282977721 /nfs/dbraw/zinc/97/77/21/282977721.db2.gz UFPRZFOIFKYTBO-HOTGVXAUSA-N 1 0 323.481 2.223 10 0 DEAERO CCCc1nc2ccccn2c1C(=O)NCC[NH+](CC)CC ZINC000071475809 190983434 /nfs/dbraw/zinc/98/34/34/190983434.db2.gz JHAIYMCTJJWKDP-UHFFFAOYSA-N 1 0 302.422 2.358 10 0 DEAERO COc1ccc2cc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c(C)nc2c1 ZINC000170857278 197837596 /nfs/dbraw/zinc/83/75/96/197837596.db2.gz NLMURDMGJWFBDQ-CQSZACIVSA-N 1 0 313.401 2.328 10 0 DEAERO CCCCNC(=O)Cn1c(CC[NH2+]C)nc2cc(C)ccc21 ZINC000071667008 191001795 /nfs/dbraw/zinc/00/17/95/191001795.db2.gz ZRTPUCCJRLPRDN-UHFFFAOYSA-N 1 0 302.422 2.023 10 0 DEAERO [NH3+]CCCc1nc(CC(=O)Nc2ccc3c[nH]nc3c2)cs1 ZINC000071695378 191008394 /nfs/dbraw/zinc/00/83/94/191008394.db2.gz AHNBSUHCIDIBOO-UHFFFAOYSA-N 1 0 315.402 2.092 10 0 DEAERO CCCS(=O)(=O)c1ccc(N2CCC[C@H]([NH2+]CC)C2)cc1 ZINC000133590815 185997682 /nfs/dbraw/zinc/99/76/82/185997682.db2.gz OIKFRIODOIAXKN-AWEZNQCLSA-N 1 0 310.463 2.449 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CCC(NC(C)=O)CC1 ZINC000133705251 186008669 /nfs/dbraw/zinc/00/86/69/186008669.db2.gz QOCIHWHZHIFPLE-GOEBONIOSA-N 1 0 309.479 2.435 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC(C)(C)c2ccncc2)C1 ZINC000245546226 539756762 /nfs/dbraw/zinc/75/67/62/539756762.db2.gz VDGFVNLGGODHGL-GOEBONIOSA-N 1 0 318.465 2.387 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](OCCC(C)C)C2)C1 ZINC000246153874 539761561 /nfs/dbraw/zinc/76/15/61/539761561.db2.gz PPNLPXFPNDDDJN-HZPDHXFCSA-N 1 0 311.470 2.317 10 0 DEAERO CC[NH2+][C@@H](Cc1ccn(C)n1)c1ncccc1Br ZINC000140533245 186026888 /nfs/dbraw/zinc/02/68/88/186026888.db2.gz HHYKYFJIZJNMPL-LBPRGKRZSA-N 1 0 309.211 2.471 10 0 DEAERO Brc1ccc(-c2noc(C[C@H]3CC[NH2+]C3)n2)nc1 ZINC000139822745 186024720 /nfs/dbraw/zinc/02/47/20/186024720.db2.gz SZTHMXMWIBOOIM-MRVPVSSYSA-N 1 0 309.167 2.046 10 0 DEAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000147661450 186040646 /nfs/dbraw/zinc/04/06/46/186040646.db2.gz RIJPUVPDLRNASS-CQSZACIVSA-N 1 0 313.417 2.147 10 0 DEAERO [NH3+]CC[C@H]1CCCCN1[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147722599 186041448 /nfs/dbraw/zinc/04/14/48/186041448.db2.gz GASGDFLRPGENCG-UKRRQHHQSA-N 1 0 308.447 2.108 10 0 DEAERO COCc1c(Br)cccc1NC(=O)C1([NH3+])CCC1 ZINC000148064629 186043375 /nfs/dbraw/zinc/04/33/75/186043375.db2.gz FSDUOQKGQRKEIY-UHFFFAOYSA-N 1 0 313.195 2.415 10 0 DEAERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)NN2CCCCC2)c1 ZINC000148540703 186045061 /nfs/dbraw/zinc/04/50/61/186045061.db2.gz SSZVQHIFTFOFQZ-OAHLLOKOSA-N 1 0 311.451 2.036 10 0 DEAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)NN2CCCCC2)c1 ZINC000148539035 186044871 /nfs/dbraw/zinc/04/48/71/186044871.db2.gz VEZBLDTWKQKFHA-CYBMUJFWSA-N 1 0 311.451 2.036 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000142922285 186033756 /nfs/dbraw/zinc/03/37/56/186033756.db2.gz PHGJVFDPLVWICR-UWVGGRQHSA-N 1 0 307.868 2.357 10 0 DEAERO CC[C@@H]1N[C@H](c2cccs2)N([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000144677963 186035802 /nfs/dbraw/zinc/03/58/02/186035802.db2.gz LFVQRRMQCWFHTH-IPYPFGDCSA-N 1 0 305.447 2.194 10 0 DEAERO Cc1ncsc1CCOc1cc(NN)[nH+]c(C(C)(C)C)n1 ZINC000147289312 186038888 /nfs/dbraw/zinc/03/88/88/186038888.db2.gz NQUNRDIYIKVIQK-UHFFFAOYSA-N 1 0 307.423 2.446 10 0 DEAERO C[C@@H](NS(=O)(=O)C[C@@H](C)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000149375001 186049766 /nfs/dbraw/zinc/04/97/66/186049766.db2.gz FVAQHDVQRIEQKV-FMKPAKJESA-N 1 0 310.463 2.240 10 0 DEAERO [NH3+]C1CCC(OCCNc2cc(Cl)nnc2Cl)CC1 ZINC000149468489 186050416 /nfs/dbraw/zinc/05/04/16/186050416.db2.gz URZSTZVMPIDSQL-UHFFFAOYSA-N 1 0 305.209 2.482 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000149519774 186050794 /nfs/dbraw/zinc/05/07/94/186050794.db2.gz WBVRMRORTLZGFY-AWEZNQCLSA-N 1 0 312.479 2.427 10 0 DEAERO C[C@@H](CS(=O)(=O)NC[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000149593519 186051897 /nfs/dbraw/zinc/05/18/97/186051897.db2.gz DDMWEYZBAQTAKB-IMJJTQAJSA-N 1 0 310.463 2.227 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000149710687 186052726 /nfs/dbraw/zinc/05/27/26/186052726.db2.gz VHRPWCXDDQIAQT-SNVBAGLBSA-N 1 0 311.813 2.355 10 0 DEAERO C[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000150023998 186053934 /nfs/dbraw/zinc/05/39/34/186053934.db2.gz JICSHWGWAJLLOQ-GHMZBOCLSA-N 1 0 316.492 2.006 10 0 DEAERO CC[C@H]1CN(S(=O)(=O)c2cc(C)sc2C)CC[C@H]1[NH3+] ZINC000251893608 539784205 /nfs/dbraw/zinc/78/42/05/539784205.db2.gz WFXSOBBQILZFJH-NWDGAFQWSA-N 1 0 302.465 2.113 10 0 DEAERO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152428094 186071664 /nfs/dbraw/zinc/07/16/64/186071664.db2.gz AUZLDRLMEDLJKA-XJKSGUPXSA-N 1 0 312.417 2.452 10 0 DEAERO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccccc1Br ZINC000163951546 186143549 /nfs/dbraw/zinc/14/35/49/186143549.db2.gz MPTHCUQEJVPAEW-NXEZZACHSA-N 1 0 311.223 2.482 10 0 DEAERO CC1CC(NS(=O)(=O)c2cc(Cl)cc(C[NH3+])c2F)C1 ZINC000164010597 186145869 /nfs/dbraw/zinc/14/58/69/186145869.db2.gz MOYFALSXUITDQT-UHFFFAOYSA-N 1 0 306.790 2.015 10 0 DEAERO C[C@@H]1C[C@@H](Nc2cc(-n3cnnn3)ccc2Cl)CC[N@@H+]1C ZINC000155911815 186122442 /nfs/dbraw/zinc/12/24/42/186122442.db2.gz GZRJLLKQOFUPRL-MNOVXSKESA-N 1 0 306.801 2.210 10 0 DEAERO COc1cccc(C[NH2+]C[C@H](C)[S@@](C)=O)c1OC(F)F ZINC000159670529 186134054 /nfs/dbraw/zinc/13/40/54/186134054.db2.gz WLTIDMRCPBQHMS-LXGOIASLSA-N 1 0 307.362 2.153 10 0 DEAERO O=C(NCc1cccc(Cl)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173287520 186172446 /nfs/dbraw/zinc/17/24/46/186172446.db2.gz RTNHMHQMZCFBPJ-HNNXBMFYSA-N 1 0 305.809 2.496 10 0 DEAERO C[NH2+][C@@H](c1cccc2cnccc21)[C@H]1CCCCS1(=O)=O ZINC000164322705 186156132 /nfs/dbraw/zinc/15/61/32/186156132.db2.gz PXVTUQPLQLNBHK-CVEARBPZSA-N 1 0 304.415 2.463 10 0 DEAERO C[C@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2C(N)=S)C1 ZINC000164355496 186156608 /nfs/dbraw/zinc/15/66/08/186156608.db2.gz XEOSGKGBLYMOOY-RYUDHWBXSA-N 1 0 305.447 2.380 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000177867013 186195792 /nfs/dbraw/zinc/19/57/92/186195792.db2.gz ZFUYVCOKYOKIIW-UKRRQHHQSA-N 1 0 303.406 2.103 10 0 DEAERO Cc1ccc(OCCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173334876 186177573 /nfs/dbraw/zinc/17/75/73/186177573.db2.gz JBDLRHWQUIZCEQ-HZPDHXFCSA-N 1 0 319.449 2.498 10 0 DEAERO CCC[C@@H](C(=O)NCCc1nc2ccccc2n1CC)[NH+](C)C ZINC000179693310 186207047 /nfs/dbraw/zinc/20/70/47/186207047.db2.gz UPHFXNPITDFZAY-INIZCTEOSA-N 1 0 316.449 2.445 10 0 DEAERO O=C(C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000194279321 186276076 /nfs/dbraw/zinc/27/60/76/186276076.db2.gz VRLKZJSKSIHDHT-MRXNPFEDSA-N 1 0 300.402 2.346 10 0 DEAERO Cc1ccc([C@@H](CNC(=O)N[C@H]2CCCOC2)[NH+]2CCCC2)o1 ZINC000171604169 197950851 /nfs/dbraw/zinc/95/08/51/197950851.db2.gz FBWILZJPURYSDR-LSDHHAIUSA-N 1 0 321.421 2.203 10 0 DEAERO CCOCCN1CCN(C(=O)OCC(F)(F)F)C[C@H]1CC ZINC000172045674 198030645 /nfs/dbraw/zinc/03/06/45/198030645.db2.gz OHXFOBHFZFJSID-LLVKDONJSA-N 1 0 312.332 2.118 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)cn1 ZINC000172053965 198032400 /nfs/dbraw/zinc/03/24/00/198032400.db2.gz OGGXBUZGKSLKRR-CQSZACIVSA-N 1 0 309.373 2.460 10 0 DEAERO CCOc1ncccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172134557 198045055 /nfs/dbraw/zinc/04/50/55/198045055.db2.gz VYFHSHXZYFEKDD-STQMWFEESA-N 1 0 304.394 2.181 10 0 DEAERO Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333877442 282983989 /nfs/dbraw/zinc/98/39/89/282983989.db2.gz VPPGBZQHNYJUOZ-UHFFFAOYSA-N 1 0 324.428 2.457 10 0 DEAERO O=C(N[C@H](Cc1ccccc1)C1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172495039 198105397 /nfs/dbraw/zinc/10/53/97/198105397.db2.gz ZVXZVIRHZQNKKU-QZTJIDSGSA-N 1 0 313.445 2.497 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000617345057 363100246 /nfs/dbraw/zinc/10/02/46/363100246.db2.gz WJTYKBOEMYISAF-HNNXBMFYSA-N 1 0 317.433 2.272 10 0 DEAERO Cc1c(F)cccc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000072616912 191203052 /nfs/dbraw/zinc/20/30/52/191203052.db2.gz LGZWGPUURGWXIE-CYBMUJFWSA-N 1 0 323.412 2.165 10 0 DEAERO CCc1cnc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)s1 ZINC000173041088 198180255 /nfs/dbraw/zinc/18/02/55/198180255.db2.gz UKZXYWGHKVPQIS-OAHLLOKOSA-N 1 0 317.458 2.495 10 0 DEAERO C[C@@H](c1nc([C@H]2CN3CCC[C@H]3CO2)no1)c1cccnc1 ZINC000329739982 539929095 /nfs/dbraw/zinc/92/90/95/539929095.db2.gz VEILKWUXDFZUCI-KWCYVHTRSA-N 1 0 300.362 2.152 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccc(F)cc2)CC[N@@H+]1C ZINC000173189837 198193506 /nfs/dbraw/zinc/19/35/06/198193506.db2.gz JBDOOZUYFSGHAT-CZUORRHYSA-N 1 0 307.413 2.492 10 0 DEAERO Cc1ccccc1O[C@H](C)CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173209484 198196498 /nfs/dbraw/zinc/19/64/98/198196498.db2.gz RMORKUUJKDPKNQ-HZPDHXFCSA-N 1 0 317.433 2.252 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ccccc2F)CC[N@@H+]1C ZINC000173269511 198204842 /nfs/dbraw/zinc/20/48/42/198204842.db2.gz KQVGHWDQZCBYKL-GXTWGEPZSA-N 1 0 314.426 2.070 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000333551958 539963414 /nfs/dbraw/zinc/96/34/14/539963414.db2.gz KIEYWMRMYUZQIE-YVSFHVDLSA-N 1 0 316.449 2.001 10 0 DEAERO [NH3+]C1CCC(NC(=O)N2CCO[C@@H](C3CCCCC3)C2)CC1 ZINC000333630745 539966501 /nfs/dbraw/zinc/96/65/01/539966501.db2.gz GMUNZRYVRLWJFJ-UYSNPLJNSA-N 1 0 309.454 2.247 10 0 DEAERO C[C@](O)(C[NH2+][C@H](CC(N)=O)C1CCCCC1)c1ccccc1 ZINC000182061704 199381200 /nfs/dbraw/zinc/38/12/00/199381200.db2.gz SEWOMOPRHPJWTG-AEFFLSMTSA-N 1 0 304.434 2.308 10 0 DEAERO COCC[C@H](COC)[NH2+]Cc1cccc(O)c1Br ZINC000315339387 282872037 /nfs/dbraw/zinc/87/20/37/282872037.db2.gz KAKWHPGQJXLYMV-LLVKDONJSA-N 1 0 318.211 2.296 10 0 DEAERO CCC[NH2+]C[C@H](O)Cc1ccc(I)cc1 ZINC000084992954 192479644 /nfs/dbraw/zinc/47/96/44/192479644.db2.gz CDHGHAVZTILKJG-GFCCVEGCSA-N 1 0 319.186 2.194 10 0 DEAERO C[C@@](O)(C[NH2+][C@@H](CC(N)=O)C1CCCCC1)c1ccccc1 ZINC000182061649 199381450 /nfs/dbraw/zinc/38/14/50/199381450.db2.gz SEWOMOPRHPJWTG-FUHWJXTLSA-N 1 0 304.434 2.308 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000174086933 198289805 /nfs/dbraw/zinc/28/98/05/198289805.db2.gz HVPGPMQLBFGOFQ-INIZCTEOSA-N 1 0 315.417 2.230 10 0 DEAERO COc1ccc([C@@H](C)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000174642594 198363833 /nfs/dbraw/zinc/36/38/33/198363833.db2.gz BWVKKSCHDHVPOJ-BMFZPTHFSA-N 1 0 302.418 2.494 10 0 DEAERO CC[C@@H]1CN(C[C@H](O)c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000174782611 198384911 /nfs/dbraw/zinc/38/49/11/198384911.db2.gz XHXNLUSSHDAJPV-MSOLQXFVSA-N 1 0 306.450 2.071 10 0 DEAERO CC[C@H](NC(=O)N1CCC2(CC[NH2+]C2)CC1)c1ccncc1 ZINC000333139868 282921411 /nfs/dbraw/zinc/92/14/11/282921411.db2.gz CVYQPBLVJGEQEJ-HNNXBMFYSA-N 1 0 302.422 2.318 10 0 DEAERO CCCCNC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000003601816 353991125 /nfs/dbraw/zinc/99/11/25/353991125.db2.gz PJWYGCSRBKHVRE-OAHLLOKOSA-N 1 0 323.437 2.346 10 0 DEAERO c1cnc(-c2ccnc(N3CCCC[C@H]([NH+]4CCCC4)C3)n2)cn1 ZINC000333543560 282948645 /nfs/dbraw/zinc/94/86/45/282948645.db2.gz LMUXPBPALLWLJJ-HNNXBMFYSA-N 1 0 324.432 2.388 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333545327 282949381 /nfs/dbraw/zinc/94/93/81/282949381.db2.gz JTMCXOZLDBBXPN-HOTGVXAUSA-N 1 0 323.481 2.365 10 0 DEAERO [NH3+]CC1(NS(=O)(=O)c2ccc(F)cc2)CCCCCC1 ZINC000034940838 354161935 /nfs/dbraw/zinc/16/19/35/354161935.db2.gz DDBQOQONIULFGW-UHFFFAOYSA-N 1 0 300.399 2.156 10 0 DEAERO CC(C)C[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000049970047 354364757 /nfs/dbraw/zinc/36/47/57/354364757.db2.gz LTTDLJLXCRGBLH-HNNXBMFYSA-N 1 0 321.440 2.277 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1CCCOC1)c1ccccc1 ZINC000057162124 354558970 /nfs/dbraw/zinc/55/89/70/354558970.db2.gz DACZVJQWGRBFKM-GOEBONIOSA-N 1 0 305.422 2.015 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)N(C)c2ccccc2)C1 ZINC000062646741 354636886 /nfs/dbraw/zinc/63/68/86/354636886.db2.gz IDERMVVXMQGHCL-HOTGVXAUSA-N 1 0 318.465 2.295 10 0 DEAERO CC(C)(C)OC(=O)N1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000059732133 354606602 /nfs/dbraw/zinc/60/66/02/354606602.db2.gz KMDNYUVRSIBFGI-OAHLLOKOSA-N 1 0 305.422 2.239 10 0 DEAERO Cc1nnc2cc(N3CC[NH+](CC4CCCCC4)CC3)cnn12 ZINC000065282498 354681586 /nfs/dbraw/zinc/68/15/86/354681586.db2.gz FLWLUPLSFPMETM-UHFFFAOYSA-N 1 0 314.437 2.135 10 0 DEAERO CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000068845483 354836826 /nfs/dbraw/zinc/83/68/26/354836826.db2.gz GZOSMCFACFVIKE-CQSZACIVSA-N 1 0 318.417 2.209 10 0 DEAERO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1ccccn1 ZINC000069842315 354878526 /nfs/dbraw/zinc/87/85/26/354878526.db2.gz KEKYRKGSYOOGMX-IRXDYDNUSA-N 1 0 301.434 2.490 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000176995066 198647358 /nfs/dbraw/zinc/64/73/58/198647358.db2.gz CFUWULLDTQJUBI-LOWQCSRCSA-N 1 0 316.401 2.371 10 0 DEAERO C[C@@H](CNC(=O)C1CCC(=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000073553484 354967292 /nfs/dbraw/zinc/96/72/92/354967292.db2.gz GUOMZNYFJOSBJQ-AWEZNQCLSA-N 1 0 302.418 2.382 10 0 DEAERO COC(=O)[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000358859825 283074672 /nfs/dbraw/zinc/07/46/72/283074672.db2.gz WSFPFHGAXOJYSO-GOSISDBHSA-N 1 0 316.445 2.440 10 0 DEAERO CC(C)[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000073441126 191317061 /nfs/dbraw/zinc/31/70/61/191317061.db2.gz JZAHTAPZHIYOEE-MRXNPFEDSA-N 1 0 324.513 2.280 10 0 DEAERO C[C@@H](CCc1cccn1C)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000074746710 191354672 /nfs/dbraw/zinc/35/46/72/191354672.db2.gz CAQFOHBPLHVATQ-HNNXBMFYSA-N 1 0 318.465 2.226 10 0 DEAERO Brc1ccccc1-n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000404869246 540146712 /nfs/dbraw/zinc/14/67/12/540146712.db2.gz XLSJGKBBVKKRFA-JTQLQIEISA-N 1 0 307.195 2.497 10 0 DEAERO Brc1ccc(-n2cc([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000404846739 540146909 /nfs/dbraw/zinc/14/69/09/540146909.db2.gz MWLOBPVDQFIEEQ-SNVBAGLBSA-N 1 0 307.195 2.497 10 0 DEAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000400179233 540141106 /nfs/dbraw/zinc/14/11/06/540141106.db2.gz OKBOVZVOSCOCPN-ILXRZTDVSA-N 1 0 302.484 2.359 10 0 DEAERO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000400179236 540141545 /nfs/dbraw/zinc/14/15/45/540141545.db2.gz OKBOVZVOSCOCPN-KFWWJZLASA-N 1 0 302.484 2.359 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1cccn1Cc1ccccc1)C(F)(F)F ZINC000401765472 540142614 /nfs/dbraw/zinc/14/26/14/540142614.db2.gz YBCQETZBOJPJFY-CYBMUJFWSA-N 1 0 311.307 2.156 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1ccc(Br)s1)C(F)(F)F ZINC000401756224 540142737 /nfs/dbraw/zinc/14/27/37/540142737.db2.gz RGWHTCIXNCPGFX-YFKPBYRVSA-N 1 0 317.130 2.130 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1nncs1 ZINC000075950126 191541117 /nfs/dbraw/zinc/54/11/17/191541117.db2.gz XRRLQZXYUGSZEX-UHFFFAOYSA-N 1 0 317.418 2.456 10 0 DEAERO C[C@@H](C[NH3+])SCC(=O)Nc1ccc(Br)cc1 ZINC000085307048 192488714 /nfs/dbraw/zinc/48/87/14/192488714.db2.gz ZNYWTXJPOBZSBW-QMMMGPOBSA-N 1 0 303.225 2.468 10 0 DEAERO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)C[C@@H]1CCCO1 ZINC000102770557 355713519 /nfs/dbraw/zinc/71/35/19/355713519.db2.gz OQZGGSYKQKSVSM-DZKIICNBSA-N 1 0 318.417 2.126 10 0 DEAERO Cc1nc(C(=O)N2C[C@@H]3[NH2+]C[C@H]3C2)c(-c2ccccc2F)s1 ZINC000116826030 355776039 /nfs/dbraw/zinc/77/60/39/355776039.db2.gz OWEIHOMVAZJEMA-GWCFXTLKSA-N 1 0 317.389 2.301 10 0 DEAERO CCCc1cc(N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)n2ncnc2n1 ZINC000078332857 191847686 /nfs/dbraw/zinc/84/76/86/191847686.db2.gz XBKHYJNANIRHOG-DZGCQCFKSA-N 1 0 316.453 2.243 10 0 DEAERO Nc1nc(CC[C@H]2CCC[NH2+]2)cc(-c2c[nH]c3ncccc23)n1 ZINC000147033419 355910220 /nfs/dbraw/zinc/91/02/20/355910220.db2.gz ZQJJIPDFSXEUHO-LLVKDONJSA-N 1 0 308.389 2.287 10 0 DEAERO CC[C@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1nccs1 ZINC000162715988 355972401 /nfs/dbraw/zinc/97/24/01/355972401.db2.gz HDJHTMBCSSVHKC-ZDUSSCGKSA-N 1 0 308.451 2.331 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000182017489 356104702 /nfs/dbraw/zinc/10/47/02/356104702.db2.gz TUDNQBAIBBNRIG-CJNGLKHVSA-N 1 0 317.433 2.305 10 0 DEAERO [NH3+]C[C@@H](c1ccccc1)n1cc(I)cn1 ZINC000079903085 191983352 /nfs/dbraw/zinc/98/33/52/191983352.db2.gz AFVGCXOHRQVINH-NSHDSACASA-N 1 0 313.142 2.036 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000182364089 356123959 /nfs/dbraw/zinc/12/39/59/356123959.db2.gz KJACBGXDDJHPPX-GFCCVEGCSA-N 1 0 318.248 2.277 10 0 DEAERO Cc1cc(C)n2c(C[N@H+](C)C[C@@H]3CCCC[C@@H]3O)cnc2n1 ZINC000181093354 356071937 /nfs/dbraw/zinc/07/19/37/356071937.db2.gz LFYRXOKRSMYVPY-HOCLYGCPSA-N 1 0 302.422 2.329 10 0 DEAERO COCC[NH+]1CCC(NC(=O)c2c[nH]c3cc(F)ccc23)CC1 ZINC000181180991 356074486 /nfs/dbraw/zinc/07/44/86/356074486.db2.gz BVDNAMNTJFBCKM-UHFFFAOYSA-N 1 0 319.380 2.148 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181548509 356086408 /nfs/dbraw/zinc/08/64/08/356086408.db2.gz JOIMFOMCLKXHJJ-KGLIPLIRSA-N 1 0 317.433 2.066 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@]2(CCO)CCOC2)C12CCCCC2 ZINC000181904999 356098931 /nfs/dbraw/zinc/09/89/31/356098931.db2.gz WTFWZMQGEVRZDL-ZACQAIPSSA-N 1 0 311.466 2.493 10 0 DEAERO COc1ccc(C[C@](C)(C[NH3+])N2CCSCC2)cc1OC ZINC000080182868 192010343 /nfs/dbraw/zinc/01/03/43/192010343.db2.gz XRYXVDMIJQDDMK-MRXNPFEDSA-N 1 0 310.463 2.013 10 0 DEAERO CC(C)(C)CS(=O)(=O)N1CCC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000080193987 192011370 /nfs/dbraw/zinc/01/13/70/192011370.db2.gz UMBDEVNNNCZQFU-CYBMUJFWSA-N 1 0 304.500 2.462 10 0 DEAERO CS(=O)(=O)CCCn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000080066843 191998912 /nfs/dbraw/zinc/99/89/12/191998912.db2.gz KHMMEXWUBZDXQQ-UHFFFAOYSA-N 1 0 306.431 2.328 10 0 DEAERO COc1cccc(C[C@H]([NH2+]CCCn2ccnn2)C2CC2)c1 ZINC000184266683 356189511 /nfs/dbraw/zinc/18/95/11/356189511.db2.gz FLBNPMUUEAYJMR-KRWDZBQOSA-N 1 0 300.406 2.288 10 0 DEAERO CC[C@H]1CN(C(=O)NCCC2CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184850088 356198591 /nfs/dbraw/zinc/19/85/91/356198591.db2.gz NUKFFDXGGKPRSO-ZBFHGGJFSA-N 1 0 311.470 2.053 10 0 DEAERO CC(C)([NH3+])COCC(=O)Nc1cccc(Br)c1 ZINC000080801141 192191635 /nfs/dbraw/zinc/19/16/35/192191635.db2.gz JUFYPUVKTPTUTI-UHFFFAOYSA-N 1 0 301.184 2.142 10 0 DEAERO CC[NH2+][C@H](C)c1csc(N(CCCOC)CCOC)n1 ZINC000080805879 192193418 /nfs/dbraw/zinc/19/34/18/192193418.db2.gz MCHGAICYDLJWKC-GFCCVEGCSA-N 1 0 301.456 2.303 10 0 DEAERO NC(=O)c1ccc(NCC[NH3+])c2cc(-c3ccc(F)cc3)[nH]c21 ZINC000220879783 356274524 /nfs/dbraw/zinc/27/45/24/356274524.db2.gz WTMAQOFLKNRMNH-UHFFFAOYSA-N 1 0 312.348 2.444 10 0 DEAERO NS(=O)(=O)c1ccc(-c2cc3cc(C[NH3+])ccc3[nH]2)s1 ZINC000222962857 356275294 /nfs/dbraw/zinc/27/52/94/356275294.db2.gz KQFYXRZZRYVUNW-UHFFFAOYSA-N 1 0 307.400 2.003 10 0 DEAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000226464457 356278672 /nfs/dbraw/zinc/27/86/72/356278672.db2.gz NKCDHSXDBPBENU-LBPRGKRZSA-N 1 0 302.827 2.103 10 0 DEAERO COC(=O)c1ccc(C[NH2+]CC[C@@H](C)O)c(Br)c1 ZINC000226715145 356279389 /nfs/dbraw/zinc/27/93/89/356279389.db2.gz YQZOMBODUYUOJN-SECBINFHSA-N 1 0 316.195 2.096 10 0 DEAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000248573232 356323030 /nfs/dbraw/zinc/32/30/30/356323030.db2.gz MREDBSQATAGTIX-LJISPDSOSA-N 1 0 302.484 2.072 10 0 DEAERO [NH3+]Cc1c(I)ccnc1OC(F)(F)F ZINC000238612009 356304157 /nfs/dbraw/zinc/30/41/57/356304157.db2.gz JWFNXJSLZYYDOZ-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO CCC[C@@H](C)C[N@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000245948472 356311019 /nfs/dbraw/zinc/31/10/19/356311019.db2.gz WGGSMOYHWMFYIM-HUUCEWRRSA-N 1 0 312.454 2.156 10 0 DEAERO COc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1OC(F)F ZINC000085364509 192496056 /nfs/dbraw/zinc/49/60/56/192496056.db2.gz ATGQERXEFOOINX-VHSXEESVSA-N 1 0 300.305 2.363 10 0 DEAERO Cn1cc([C@H]2CCN(C(=O)CC3(C[NH3+])CCCCC3)C2)cn1 ZINC000184239782 199691726 /nfs/dbraw/zinc/69/17/26/199691726.db2.gz PSGFIFVPYTZJSD-AWEZNQCLSA-N 1 0 304.438 2.035 10 0 DEAERO C[C@H]([NH2+]CCc1cn(C)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400796206 283158654 /nfs/dbraw/zinc/15/86/54/283158654.db2.gz SWMJRLLBHYGGRD-UONOGXRCSA-N 1 0 322.453 2.198 10 0 DEAERO C[C@H]([NH2+]CCC1(CO)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447545 283156630 /nfs/dbraw/zinc/15/66/30/283156630.db2.gz NWWIBMYQSZVLIY-UONOGXRCSA-N 1 0 312.454 2.384 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)cc(OC)c1O ZINC000177424551 198721851 /nfs/dbraw/zinc/72/18/51/198721851.db2.gz OAXFNXHITVVRPE-CYBMUJFWSA-N 1 0 306.406 2.266 10 0 DEAERO CCn1cnnc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400469327 283157161 /nfs/dbraw/zinc/15/71/61/283157161.db2.gz XEVPYIZFGXOIQA-STQMWFEESA-N 1 0 323.441 2.033 10 0 DEAERO C[C@@H]([NH2+]CCN1CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400509136 283157682 /nfs/dbraw/zinc/15/76/82/283157682.db2.gz KXBCIWMNDMAGEJ-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H]1CC[C@@]([NH3+])(c2ncc(I)cn2)C1 ZINC000306647142 356404448 /nfs/dbraw/zinc/40/44/48/356404448.db2.gz PFBKFJTXSFDKFT-XVKPBYJWSA-N 1 0 303.147 2.055 10 0 DEAERO O=C(C[NH2+]CCCOCc1ccccc1)NCc1ccccc1 ZINC000306891743 356406030 /nfs/dbraw/zinc/40/60/30/356406030.db2.gz WZWZNSUNALIQBZ-UHFFFAOYSA-N 1 0 312.413 2.499 10 0 DEAERO Brc1ccc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)s1 ZINC000404284206 283165053 /nfs/dbraw/zinc/16/50/53/283165053.db2.gz WTHSUJONCCOBOP-MNOVXSKESA-N 1 0 317.252 2.073 10 0 DEAERO CN1CCN(C(=O)c2ccc3cc[nH]c3c2)C[C@@H]1c1ncc[nH]1 ZINC000328614218 356460643 /nfs/dbraw/zinc/46/06/43/356460643.db2.gz AANHOLYKFWJSAG-OAHLLOKOSA-N 1 0 309.373 2.020 10 0 DEAERO CC(C)c1cc(C(=O)N(C)C[C@@H]2CCn3ccnc3C2)[nH]n1 ZINC000328615678 356460898 /nfs/dbraw/zinc/46/08/98/356460898.db2.gz AZSDEDBISUROOF-GFCCVEGCSA-N 1 0 301.394 2.064 10 0 DEAERO Cc1ccsc1C[NH2+]C[C@@H]1CCc2c(C(N)=O)cnn2C1 ZINC000328629575 356463683 /nfs/dbraw/zinc/46/36/83/356463683.db2.gz IIVPOCBMQAMCEK-NSHDSACASA-N 1 0 304.419 2.489 10 0 DEAERO Cn1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2nccs2)c1 ZINC000328628073 356464087 /nfs/dbraw/zinc/46/40/87/356464087.db2.gz GXUBJMBIWGWLBT-KBPBESRZSA-N 1 0 308.426 2.184 10 0 DEAERO Cc1ccc([C@@H](O)CNc2cc(N[C@@H]3CCCOC3)ncn2)o1 ZINC000328640236 356465799 /nfs/dbraw/zinc/46/57/99/356465799.db2.gz PXGUOOUNQXWMKD-OLZOCXBDSA-N 1 0 318.377 2.114 10 0 DEAERO c1cn2c(n1)C[C@@H](c1nc(-c3ccn4c[nH+]cc4c3)no1)CC2 ZINC000350297801 356519230 /nfs/dbraw/zinc/51/92/30/356519230.db2.gz FUOFHGNWRBOLEX-LBPRGKRZSA-N 1 0 306.329 2.311 10 0 DEAERO CCCNC(=O)CCCC(=O)Nc1ccccc1C[NH2+]CC ZINC000236839855 202034013 /nfs/dbraw/zinc/03/40/13/202034013.db2.gz RLXZNSNVQNRKHQ-UHFFFAOYSA-N 1 0 305.422 2.431 10 0 DEAERO NC(=S)c1cccc(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000081615100 192304509 /nfs/dbraw/zinc/30/45/09/192304509.db2.gz XKGBWOKGTDOZER-UHFFFAOYSA-N 1 0 304.463 2.171 10 0 DEAERO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000081623677 192304520 /nfs/dbraw/zinc/30/45/20/192304520.db2.gz ATWOIOKDMGFMSR-HUUCEWRRSA-N 1 0 308.447 2.392 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@H](C)CCOC)cc1 ZINC000081717767 192316206 /nfs/dbraw/zinc/31/62/06/192316206.db2.gz UQDNUUIPJRGTHA-OLZOCXBDSA-N 1 0 314.451 2.060 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC([NH2+]C)CC2)cc1CC ZINC000236940170 202082874 /nfs/dbraw/zinc/08/28/74/202082874.db2.gz JJUPJGRKNOQNCF-UHFFFAOYSA-N 1 0 310.463 2.184 10 0 DEAERO CC1(C)CC[C@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)O1 ZINC000188208887 535327287 /nfs/dbraw/zinc/32/72/87/535327287.db2.gz BQCXNSGJLIQWJN-OAHLLOKOSA-N 1 0 309.454 2.214 10 0 DEAERO CCOc1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000236981912 202107143 /nfs/dbraw/zinc/10/71/43/202107143.db2.gz HQEDLMWZFGBZHY-CYBMUJFWSA-N 1 0 306.381 2.230 10 0 DEAERO Clc1cnc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c(Br)c1 ZINC000385863425 356691062 /nfs/dbraw/zinc/69/10/62/356691062.db2.gz SNALFKNKBOBVNS-XCBNKYQSSA-N 1 0 302.603 2.296 10 0 DEAERO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N(CC)Cc1ccccc1 ZINC000385934450 356693093 /nfs/dbraw/zinc/69/30/93/356693093.db2.gz VHEAZUQQOWAGQD-IRXDYDNUSA-N 1 0 304.434 2.128 10 0 DEAERO O=C(NCC[NH2+]Cc1ccsc1Br)C1CC1 ZINC000388872863 356706152 /nfs/dbraw/zinc/70/61/52/356706152.db2.gz CMIZMYWORDNUIS-UHFFFAOYSA-N 1 0 303.225 2.126 10 0 DEAERO N#Cc1cc(Br)ccc1NC[C@@H]1C[NH2+]CCCO1 ZINC000390058119 356709227 /nfs/dbraw/zinc/70/92/27/356709227.db2.gz IZDKLWJNCQGSGE-LBPRGKRZSA-N 1 0 310.195 2.111 10 0 DEAERO C=Cn1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)cn1 ZINC000578143810 356769656 /nfs/dbraw/zinc/76/96/56/356769656.db2.gz UHSYPOOLHJSPSQ-CYBMUJFWSA-N 1 0 307.344 2.203 10 0 DEAERO Cc1cc(I)ccc1N[C@H]1CC[NH2+]C1 ZINC000086727286 192595420 /nfs/dbraw/zinc/59/54/20/192595420.db2.gz XGJCQPAUJFTZFE-JTQLQIEISA-N 1 0 302.159 2.373 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)NCCOCC2CCC2)CC1 ZINC000578691207 356856185 /nfs/dbraw/zinc/85/61/85/356856185.db2.gz KGEYOQVWNACODE-UHFFFAOYSA-N 1 0 311.470 2.367 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2[NH3+])sc1Br ZINC000087018519 192612088 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200193810 /nfs/dbraw/zinc/19/38/10/200193810.db2.gz BBNBQRUHDSZKHJ-AWEZNQCLSA-N 1 0 320.462 2.183 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(I)cn1 ZINC000600863551 359844653 /nfs/dbraw/zinc/84/46/53/359844653.db2.gz PMBODUYWBDUVOX-VHSXEESVSA-N 1 0 317.174 2.239 10 0 DEAERO COCc1cccc(CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000188619365 200276036 /nfs/dbraw/zinc/27/60/36/200276036.db2.gz MYOGQSSFTNCEIK-KRWDZBQOSA-N 1 0 306.450 2.468 10 0 DEAERO C[C@H]1OCCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000189149883 200356715 /nfs/dbraw/zinc/35/67/15/200356715.db2.gz MULQOPXUWLAKLP-HIFRSBDPSA-N 1 0 310.463 2.453 10 0 DEAERO O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000189291965 200376804 /nfs/dbraw/zinc/37/68/04/200376804.db2.gz AUMGDTDOZOSONG-SJORKVTESA-N 1 0 300.402 2.190 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H](C)CCc2cccc(F)c2)C[C@H]1c1c[nH]nn1 ZINC000668577129 540691677 /nfs/dbraw/zinc/69/16/77/540691677.db2.gz VJHZBGYHFAVREX-ISTRZQFTSA-N 1 0 318.396 2.379 10 0 DEAERO CC[C@@H](OC1CCCC1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000603086834 360694172 /nfs/dbraw/zinc/69/41/72/360694172.db2.gz KTWBIEUCOBILLK-OAHLLOKOSA-N 1 0 308.426 2.121 10 0 DEAERO CC(C)(O)CC[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000606445545 361010156 /nfs/dbraw/zinc/01/01/56/361010156.db2.gz YYIIDKWBOWHHGJ-UHFFFAOYSA-N 1 0 305.344 2.489 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2nccn2c1 ZINC000606581420 361023326 /nfs/dbraw/zinc/02/33/26/361023326.db2.gz CFUSVGQFHQPPGX-ZDUSSCGKSA-N 1 0 301.394 2.330 10 0 DEAERO c1cc2c(ccnc2N2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000608090339 361170338 /nfs/dbraw/zinc/17/03/38/361170338.db2.gz GVFJZGCXAGWJGH-CYBMUJFWSA-N 1 0 303.431 2.455 10 0 DEAERO COc1ccc(OC)c(CN(C(=O)CC[C@H](C)[NH3+])C2CC2)c1 ZINC000193194833 201005880 /nfs/dbraw/zinc/00/58/80/201005880.db2.gz RIDWBONLQWSAGX-LBPRGKRZSA-N 1 0 306.406 2.322 10 0 DEAERO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)c1 ZINC000193430537 201049961 /nfs/dbraw/zinc/04/99/61/201049961.db2.gz SSBIEJXKKANGKA-BLLLJJGKSA-N 1 0 308.422 2.472 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000193397597 201044468 /nfs/dbraw/zinc/04/44/68/201044468.db2.gz LMSGLPLAHWXPDC-MNOVXSKESA-N 1 0 316.492 2.322 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000193511353 201066152 /nfs/dbraw/zinc/06/61/52/201066152.db2.gz NRXHVSOYDIRAGC-ABAIWWIYSA-N 1 0 318.808 2.396 10 0 DEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000090490116 192923370 /nfs/dbraw/zinc/92/33/70/192923370.db2.gz IYJCZKXCDRMOEZ-NJZAAPMLSA-N 1 0 310.825 2.484 10 0 DEAERO CCCn1cc(CN2CCC[N@H+](C[C@@H]3CCC=CO3)CC2)cn1 ZINC000193909648 201143471 /nfs/dbraw/zinc/14/34/71/201143471.db2.gz UJHZNANHUUDKNG-SFHVURJKSA-N 1 0 318.465 2.494 10 0 DEAERO COC(=O)C(C)(C)[C@H]([NH2+]Cc1cnn(C)c1)c1ccccc1 ZINC000610908771 361491120 /nfs/dbraw/zinc/49/11/20/361491120.db2.gz FOZXARDJQKMHJB-OAHLLOKOSA-N 1 0 301.390 2.450 10 0 DEAERO Cc1ccc([C@@H](O)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000194190983 201195717 /nfs/dbraw/zinc/19/57/17/201195717.db2.gz BNYPVMCCKPQVRB-IRXDYDNUSA-N 1 0 321.465 2.304 10 0 DEAERO COC(=O)[C@@H](C1CC1)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000611660063 361653881 /nfs/dbraw/zinc/65/38/81/361653881.db2.gz NMLMMVRYLBADGM-GOSISDBHSA-N 1 0 316.445 2.454 10 0 DEAERO C[C@H]1CCC[C@H](n2nnc(C[NH3+])c2I)C1 ZINC000675051160 541285598 /nfs/dbraw/zinc/28/55/98/541285598.db2.gz BWDPXITXWKSHHQ-YUMQZZPRSA-N 1 0 320.178 2.093 10 0 DEAERO CC1(C)CC[C@@H](CO)[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000621376914 364381468 /nfs/dbraw/zinc/38/14/68/364381468.db2.gz MIIGTYKIRODFNO-IRXDYDNUSA-N 1 0 307.434 2.047 10 0 DEAERO CC1(C)CC[C@@H](CO)[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000621376912 364381641 /nfs/dbraw/zinc/38/16/41/364381641.db2.gz MIIGTYKIRODFNO-DLBZAZTESA-N 1 0 307.434 2.047 10 0 DEAERO CCc1ccccc1CC[N@@H+]1C[C@@H](OC)[C@H](c2c[nH]nn2)C1 ZINC000621317053 364348681 /nfs/dbraw/zinc/34/86/81/364348681.db2.gz MFWJAAPRCGOFKQ-DOTOQJQBSA-N 1 0 300.406 2.024 10 0 DEAERO CN(CCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)S(C)(=O)=O ZINC000675746670 541379022 /nfs/dbraw/zinc/37/90/22/541379022.db2.gz LSZMHQDLNVLWOS-ZIAGYGMSSA-N 1 0 304.500 2.462 10 0 DEAERO CCc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275447850 212339434 /nfs/dbraw/zinc/33/94/34/212339434.db2.gz GGXGZZUSMWLWNT-LLVKDONJSA-N 1 0 307.829 2.185 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2Cl)CC12COC2 ZINC000449359111 240396528 /nfs/dbraw/zinc/39/65/28/240396528.db2.gz GHTJRCRDWYLULB-ZDUSSCGKSA-N 1 0 309.793 2.352 10 0 DEAERO NC(=O)N1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000623418063 365024036 /nfs/dbraw/zinc/02/40/36/365024036.db2.gz AQGWQONKJGQODK-UHFFFAOYSA-N 1 0 307.341 2.400 10 0 DEAERO Brc1cccc2c1C[C@@H]([NH2+]Cc1cnn[nH]1)CC2 ZINC000623578763 365087559 /nfs/dbraw/zinc/08/75/59/365087559.db2.gz XLNYHKZLNODKKO-JTQLQIEISA-N 1 0 307.195 2.214 10 0 DEAERO c1nnn(-c2ccccc2)c1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000623602790 365096621 /nfs/dbraw/zinc/09/66/21/365096621.db2.gz CBABAWLSJWOKRW-IBGZPJMESA-N 1 0 320.396 2.498 10 0 DEAERO C(=C\c1ccccc1)\C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623652616 365117712 /nfs/dbraw/zinc/11/77/12/365117712.db2.gz LFACVIXKZCJXHG-HQQUCIOCSA-N 1 0 320.400 2.006 10 0 DEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000623767573 365168348 /nfs/dbraw/zinc/16/83/48/365168348.db2.gz YDJGIFXPAXLURF-NEPJUHHUSA-N 1 0 320.614 2.342 10 0 DEAERO Cc1ccc(C[NH2+]C[C@H]2COCCN2C)cc1Br ZINC000623711431 365142172 /nfs/dbraw/zinc/14/21/72/365142172.db2.gz FBFOPIGKWJWVSF-ZDUSSCGKSA-N 1 0 313.239 2.178 10 0 DEAERO CN(CC1CC(O)C1)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000091450816 193057429 /nfs/dbraw/zinc/05/74/29/193057429.db2.gz HVIJZDSYGXNBHD-RFBVYIQQSA-N 1 0 319.268 2.213 10 0 DEAERO CN(Cc1ccccc1Br)c1cncc(C[NH3+])n1 ZINC000091420281 193054472 /nfs/dbraw/zinc/05/44/72/193054472.db2.gz CDGAWFLDAAMGTJ-UHFFFAOYSA-N 1 0 307.195 2.334 10 0 DEAERO CCc1nn(CC)c(C[C@H](O)C[NH2+]C(C)C)c1Br ZINC000091465936 193059383 /nfs/dbraw/zinc/05/93/83/193059383.db2.gz ZAJRECCZYGQNHX-JTQLQIEISA-N 1 0 318.259 2.129 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH2+]C)[C@](C)(CC)N(C)C)c1Cl ZINC000091570422 193074256 /nfs/dbraw/zinc/07/42/56/193074256.db2.gz GUDJLHQACPVWIX-ZFWWWQNUSA-N 1 0 300.878 2.497 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH3+])C(C)(C)N1CCCCCC1 ZINC000091567774 193074274 /nfs/dbraw/zinc/07/42/74/193074274.db2.gz FFLXXQQXJRFFJZ-AWEZNQCLSA-N 1 0 304.500 2.183 10 0 DEAERO CC[C@](C)(C(=O)Cc1c(Br)c(C)nn1C)[NH+](C)C ZINC000091568809 193074416 /nfs/dbraw/zinc/07/44/16/193074416.db2.gz SKFMISRQQBWXLF-CYBMUJFWSA-N 1 0 316.243 2.333 10 0 DEAERO CC[NH2+]CCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000091480433 193062635 /nfs/dbraw/zinc/06/26/35/193062635.db2.gz ANSPXYMXXMCTJZ-UHFFFAOYSA-N 1 0 310.341 2.365 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1sccc1Br ZINC000624237379 365346537 /nfs/dbraw/zinc/34/65/37/365346537.db2.gz WCNNAHYCUQNTIC-UJNFCWOMSA-N 1 0 306.225 2.311 10 0 DEAERO C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)[C@H]1CN(C)CCO1 ZINC000091717494 193096607 /nfs/dbraw/zinc/09/66/07/193096607.db2.gz PYZQOOURIRWQJP-ZIAGYGMSSA-N 1 0 302.340 2.167 10 0 DEAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOc1ccc(F)cc1Cl ZINC000091741662 193100258 /nfs/dbraw/zinc/10/02/58/193100258.db2.gz XRKWUTXBPVQMSN-MNOVXSKESA-N 1 0 314.788 2.444 10 0 DEAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOc1ccc(F)cc1Cl ZINC000091741670 193100716 /nfs/dbraw/zinc/10/07/16/193100716.db2.gz XRKWUTXBPVQMSN-WDEREUQCSA-N 1 0 314.788 2.444 10 0 DEAERO Cc1sc2[nH]c(Cn3ccc([C@@H](C)[NH3+])c3)nc(=O)c2c1C ZINC000091803456 193111561 /nfs/dbraw/zinc/11/15/61/193111561.db2.gz CHYMTHVDKLVOFJ-SECBINFHSA-N 1 0 302.403 2.471 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000624406566 365411826 /nfs/dbraw/zinc/41/18/26/365411826.db2.gz GJSVKQSSJFWLKS-CMPLNLGQSA-N 1 0 302.827 2.067 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)CC2CCCCC2)CC1 ZINC000091869944 193120798 /nfs/dbraw/zinc/12/07/98/193120798.db2.gz SDGPOCONYSELSZ-UHFFFAOYSA-N 1 0 302.484 2.359 10 0 DEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000091872666 193121436 /nfs/dbraw/zinc/12/14/36/193121436.db2.gz NZAKRHGMSZZUBT-UHFFFAOYSA-N 1 0 318.389 2.116 10 0 DEAERO CNC(=O)CCC[N@H+](C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091982480 193135570 /nfs/dbraw/zinc/13/55/70/193135570.db2.gz KLDUAEKKIPJOPR-AWEZNQCLSA-N 1 0 323.824 2.291 10 0 DEAERO CC[C@@H](COC)[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092050117 193147937 /nfs/dbraw/zinc/14/79/37/193147937.db2.gz WKBPGMPZCUNJPT-VIFPVBQESA-N 1 0 313.199 2.006 10 0 DEAERO [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccncc1Br)C2 ZINC000629535133 367239655 /nfs/dbraw/zinc/23/96/55/367239655.db2.gz CGEPAGQZHPWQEH-JSGCOSHPSA-N 1 0 310.239 2.405 10 0 DEAERO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](O)CC1(O)CCOCC1 ZINC000630039920 367449321 /nfs/dbraw/zinc/44/93/21/367449321.db2.gz ZKKCRMHUADQDMR-CVEARBPZSA-N 1 0 307.434 2.280 10 0 DEAERO CO[C@@H]1CN(C(=O)c2ccc(F)cc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630365378 367613295 /nfs/dbraw/zinc/61/32/95/367613295.db2.gz VTVBBEWATUGOJC-IINYFYTJSA-N 1 0 300.761 2.057 10 0 DEAERO CO[C@H]1CN(C(=O)c2cccc(F)c2Cl)[C@@](C)(C[NH3+])C1 ZINC000630366624 367613331 /nfs/dbraw/zinc/61/33/31/367613331.db2.gz KZSOTWRHMDZIQY-YMTOWFKASA-N 1 0 300.761 2.057 10 0 DEAERO CO[C@H]1CN(C(=O)c2scc(C)c2Cl)[C@](C)(C[NH3+])C1 ZINC000630372507 367616779 /nfs/dbraw/zinc/61/67/79/367616779.db2.gz FSUHSEGKSRMXBJ-RNCFNFMXSA-N 1 0 302.827 2.288 10 0 DEAERO C[NH2+]CCOCCN(C)c1ncc(Br)cc1Cl ZINC000630528355 367708671 /nfs/dbraw/zinc/70/86/71/367708671.db2.gz HBJYSOXSXAYTMC-UHFFFAOYSA-N 1 0 322.634 2.170 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)cc1 ZINC000092091411 193155846 /nfs/dbraw/zinc/15/58/46/193155846.db2.gz YKTWYCJGAQQEAM-OKILXGFUSA-N 1 0 310.463 2.463 10 0 DEAERO C[NH2+]Cc1sc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc1C ZINC000092113839 193161155 /nfs/dbraw/zinc/16/11/55/193161155.db2.gz JXIGPMXMWFNAJZ-GHMZBOCLSA-N 1 0 302.465 2.052 10 0 DEAERO C[NH2+]Cc1sc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)cc1C ZINC000092113838 193161511 /nfs/dbraw/zinc/16/15/11/193161511.db2.gz JXIGPMXMWFNAJZ-PHIMTYICSA-N 1 0 302.465 2.052 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)C2CCCC2)c(F)c1 ZINC000092115599 193163001 /nfs/dbraw/zinc/16/30/01/193163001.db2.gz HFKBXPUFSXAQMH-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO CC(C)CN(C(C)C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115967 193164303 /nfs/dbraw/zinc/16/43/03/193164303.db2.gz TZBQTDMZDOUBIY-UHFFFAOYSA-N 1 0 302.415 2.340 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c(F)c1 ZINC000092116291 193164340 /nfs/dbraw/zinc/16/43/40/193164340.db2.gz XBARQPMVDFEAMN-TXEJJXNPSA-N 1 0 314.426 2.212 10 0 DEAERO c1c(C[NH2+]CCCCc2ccccc2)nnn1C[C@H]1CCOC1 ZINC000631036371 367980982 /nfs/dbraw/zinc/98/09/82/367980982.db2.gz MHSZSHMKJHGFIC-QGZVFWFLSA-N 1 0 314.433 2.427 10 0 DEAERO c1cc(OCCN2CCOCC2)ccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000631179106 368064500 /nfs/dbraw/zinc/06/45/00/368064500.db2.gz ZAKQYHLGISZERH-REPLKXPHSA-N 1 0 316.445 2.286 10 0 DEAERO c1nc(C2CCC2)sc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000631258771 368106647 /nfs/dbraw/zinc/10/66/47/368106647.db2.gz YMFDFRAQCIAFFD-UHFFFAOYSA-N 1 0 301.419 2.179 10 0 DEAERO CN(C)c1ccc(Br)cc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092203623 193173051 /nfs/dbraw/zinc/17/30/51/193173051.db2.gz RAXFXFNCEJRMKR-GXSJLCMTSA-N 1 0 324.222 2.357 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092206664 193173952 /nfs/dbraw/zinc/17/39/52/193173952.db2.gz BVPFNWGVYHDDJS-MNOVXSKESA-N 1 0 308.403 2.384 10 0 DEAERO CN(C)c1ccc(Br)cc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092203625 193172726 /nfs/dbraw/zinc/17/27/26/193172726.db2.gz RAXFXFNCEJRMKR-ONGXEEELSA-N 1 0 324.222 2.357 10 0 DEAERO c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C2CN(c3ccncn3)C2)cc1 ZINC000631747333 368366850 /nfs/dbraw/zinc/36/68/50/368366850.db2.gz FEKSICIEXTWAFL-YJBOKZPZSA-N 1 0 324.428 2.423 10 0 DEAERO c1cc(-c2noc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)n2)co1 ZINC000451508344 243046491 /nfs/dbraw/zinc/04/64/91/243046491.db2.gz WIKCPWBFWVOPNE-MRVWCRGKSA-N 1 0 301.346 2.377 10 0 DEAERO O=C(N[C@@H]1CCCc2occc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173950928 284046288 /nfs/dbraw/zinc/04/62/88/284046288.db2.gz GXKBNEOWEVVYRG-UKRRQHHQSA-N 1 0 301.390 2.313 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)s1 ZINC000631961299 368467577 /nfs/dbraw/zinc/46/75/77/368467577.db2.gz KVXGGPRZNMBCDL-GFCCVEGCSA-N 1 0 302.465 2.257 10 0 DEAERO Cc1ccc(F)c(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000631960349 368467876 /nfs/dbraw/zinc/46/78/76/368467876.db2.gz NNJRMLLVTPFJLK-GFCCVEGCSA-N 1 0 300.399 2.026 10 0 DEAERO CC[N@H+](CC(C)(C)O)[C@H](C)C(=O)Nc1ccc(Cl)cc1N ZINC000092964564 193189936 /nfs/dbraw/zinc/18/99/36/193189936.db2.gz ASWPJEYZTBEACF-SNVBAGLBSA-N 1 0 313.829 2.342 10 0 DEAERO CC(C)(C)n1cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cn1 ZINC000093012336 193194128 /nfs/dbraw/zinc/19/41/28/193194128.db2.gz RYWPYJRVGVQIAO-KRWDZBQOSA-N 1 0 320.481 2.325 10 0 DEAERO CSc1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000262008597 203171491 /nfs/dbraw/zinc/17/14/91/203171491.db2.gz VHGWIQQEGPXBIH-CABCVRRESA-N 1 0 316.430 2.084 10 0 DEAERO [NH3+][C@H]1CC[C@@H](Oc2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000093219165 193218285 /nfs/dbraw/zinc/21/82/85/193218285.db2.gz GOSIEIMQNUFETD-DTWKUNHWSA-N 1 0 309.309 2.239 10 0 DEAERO C[S@@](=O)C[C@@H](NC(=O)CCCCCC[NH3+])c1ccccc1 ZINC000262628172 203356726 /nfs/dbraw/zinc/35/67/26/203356726.db2.gz MCCCLQFPHHGWJI-QVKFZJNVSA-N 1 0 310.463 2.132 10 0 DEAERO C[N@@H+]1CCCN(C(=O)c2sc3cccc(F)c3c2N)CC1 ZINC000093411921 193245576 /nfs/dbraw/zinc/24/55/76/193245576.db2.gz YQNXODLHPMKGLB-UHFFFAOYSA-N 1 0 307.394 2.400 10 0 DEAERO CS(=O)(=O)c1cccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452489 193254380 /nfs/dbraw/zinc/25/43/80/193254380.db2.gz ZKGBONOLNHDRNK-HRCADAONSA-N 1 0 308.447 2.423 10 0 DEAERO C[C@@H](C[C@@H]1CCC[NH2+]1)Nc1cc(S(C)(=O)=O)ccc1F ZINC000093464005 193256154 /nfs/dbraw/zinc/25/61/54/193256154.db2.gz DDPUBTUXOSESQV-QWRGUYRKSA-N 1 0 300.399 2.172 10 0 DEAERO COCOc1ccc(OC)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000093479855 193257119 /nfs/dbraw/zinc/25/71/19/193257119.db2.gz XUAUAGDNFCUFDW-UUVAVEHKSA-N 1 0 321.417 2.271 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1F ZINC000093523066 193262680 /nfs/dbraw/zinc/26/26/80/193262680.db2.gz XUTOPRCTQHICCN-JTQLQIEISA-N 1 0 303.399 2.308 10 0 DEAERO CC1CCC2(CSC(NCC(C)(C)S(C)(=O)=O)=[NH+]2)CC1 ZINC000093524729 193263689 /nfs/dbraw/zinc/26/36/89/193263689.db2.gz XUTBZQOIIWZEHR-UHFFFAOYSA-N 1 0 318.508 2.451 10 0 DEAERO CC(C)(CNC1=[NH+]C[C@@H](c2ccccc2)S1)S(C)(=O)=O ZINC000093524731 193263959 /nfs/dbraw/zinc/26/39/59/193263959.db2.gz GRQRDACWOONUHI-LBPRGKRZSA-N 1 0 312.460 2.243 10 0 DEAERO Cc1nn(CC[C@@H]2CCC[C@@]2([NH2+]C(C)C)C(N)=O)cc1Cl ZINC000093615998 193275198 /nfs/dbraw/zinc/27/51/98/193275198.db2.gz LLHYFNUGVHPPQK-WFASDCNBSA-N 1 0 312.845 2.257 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCn1ncc(Cl)c1C ZINC000093616148 193275637 /nfs/dbraw/zinc/27/56/37/193275637.db2.gz ZVSNYIYYOQPTAX-IUODEOHRSA-N 1 0 312.845 2.259 10 0 DEAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1nncs1 ZINC000093629381 193276738 /nfs/dbraw/zinc/27/67/38/193276738.db2.gz UBGXQSQOLYEPNS-MFKMUULPSA-N 1 0 314.480 2.043 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1ncccc1Cl ZINC000093631242 193277732 /nfs/dbraw/zinc/27/77/32/193277732.db2.gz DGWLLZYMWPXSMV-IINYFYTJSA-N 1 0 313.854 2.461 10 0 DEAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSC1CCOCC1 ZINC000093630621 193277760 /nfs/dbraw/zinc/27/77/60/193277760.db2.gz SGNJANFGPXKOME-CJNGLKHVSA-N 1 0 314.495 2.311 10 0 DEAERO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696521 193291984 /nfs/dbraw/zinc/29/19/84/193291984.db2.gz JPUDSQHMEUKDHV-RRFJBIMHSA-N 1 0 302.484 2.216 10 0 DEAERO CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696536 193292163 /nfs/dbraw/zinc/29/21/63/193292163.db2.gz MZBOMCFCQSEVFB-GJZGRUSLSA-N 1 0 304.500 2.462 10 0 DEAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)c(C)o1 ZINC000093696716 193292263 /nfs/dbraw/zinc/29/22/63/193292263.db2.gz SPPZRNQTXKUWFO-JSGCOSHPSA-N 1 0 314.451 2.219 10 0 DEAERO CCC[NH2+][C@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093697988 193292885 /nfs/dbraw/zinc/29/28/85/193292885.db2.gz XRKYZYZPWFJQPP-HUUCEWRRSA-N 1 0 304.500 2.462 10 0 DEAERO CC[C@@H]1CCCC[C@]1([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699222 193293522 /nfs/dbraw/zinc/29/35/22/193293522.db2.gz JUBYFRDGLVZNOX-ZNMIVQPWSA-N 1 0 302.484 2.346 10 0 DEAERO Cc1ccccc1[C@@](C)([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699153 193293634 /nfs/dbraw/zinc/29/36/34/193293634.db2.gz GRPPQYWYZCTYAP-ZBFHGGJFSA-N 1 0 310.463 2.231 10 0 DEAERO CCc1ccc([C@@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093699838 193293830 /nfs/dbraw/zinc/29/38/30/193293830.db2.gz YPMBZLWLBHNAAN-HOCLYGCPSA-N 1 0 310.463 2.311 10 0 DEAERO C[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000093699796 193294042 /nfs/dbraw/zinc/29/40/42/193294042.db2.gz RKHOXYLANCQPDA-IUODEOHRSA-N 1 0 314.426 2.148 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CC[C@@H](C)C1 ZINC000093700631 193294586 /nfs/dbraw/zinc/29/45/86/193294586.db2.gz QWVGUCJOMCKUSY-LXTVHRRPSA-N 1 0 302.484 2.072 10 0 DEAERO CC(C)[NH2+]CC1(C[C@H]2CCCN(S(C)(=O)=O)C2)CCC1 ZINC000093701616 193294611 /nfs/dbraw/zinc/29/46/11/193294611.db2.gz IOQHNLYZPGNBLW-CQSZACIVSA-N 1 0 302.484 2.216 10 0 DEAERO CC(C)C[C@H](C[NH2+]C1CC1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701359 193294739 /nfs/dbraw/zinc/29/47/39/193294739.db2.gz KYTNXHUBMDAHNM-GJZGRUSLSA-N 1 0 316.511 2.462 10 0 DEAERO COC(=O)C(C)(C)COc1c(Br)cccc1C[NH3+] ZINC000093714647 193296571 /nfs/dbraw/zinc/29/65/71/193296571.db2.gz DNXBPWCPAJHGIO-UHFFFAOYSA-N 1 0 316.195 2.486 10 0 DEAERO CCC[NH2+][C@@H]1CCC[C@@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000093730402 193298864 /nfs/dbraw/zinc/29/88/64/193298864.db2.gz FXILALRBOZSLIE-ZIAGYGMSSA-N 1 0 307.404 2.477 10 0 DEAERO Cc1nn([C@H]2CCC[C@@]([NH2+]C(C)C)(C(N)=O)C2)c(C)c1Cl ZINC000093759621 193301797 /nfs/dbraw/zinc/30/17/97/193301797.db2.gz NNAUSEFZFHVUFD-WFASDCNBSA-N 1 0 312.845 2.491 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)NC1C(C)(C)C([NH3+])C1(C)C ZINC000094006535 193338442 /nfs/dbraw/zinc/33/84/42/193338442.db2.gz XKDBNVFIYMOOBB-UHFFFAOYSA-N 1 0 314.426 2.174 10 0 DEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000094023936 193339065 /nfs/dbraw/zinc/33/90/65/193339065.db2.gz BBZPMQZHCSWPHF-UHFFFAOYSA-N 1 0 316.854 2.350 10 0 DEAERO C[NH2+][C@H](Cc1csc2ccccc12)[C@@H]1CN(C)CCN1C ZINC000093894373 193324346 /nfs/dbraw/zinc/32/43/46/193324346.db2.gz REZTZWMFEFAOAL-CVEARBPZSA-N 1 0 303.475 2.278 10 0 DEAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@@H]1CN(C)CCN1C ZINC000093895495 193324774 /nfs/dbraw/zinc/32/47/74/193324774.db2.gz MZOSCTHQNVASSY-HOTGVXAUSA-N 1 0 313.848 2.246 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(Cl)s1)[C@@H]1CN(C)CCN1C ZINC000093895616 193324784 /nfs/dbraw/zinc/32/47/84/193324784.db2.gz XGDQPJFLRBZFIR-OLZOCXBDSA-N 1 0 301.887 2.168 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)CC2CC[NH2+]CC2)c(Cl)c1 ZINC000094023799 193339371 /nfs/dbraw/zinc/33/93/71/193339371.db2.gz LFACNXPYQMBIEP-UHFFFAOYSA-N 1 0 316.854 2.269 10 0 DEAERO C[NH+](C)C(C)(C)COc1nc(Cl)nc(N2CCCCC2)n1 ZINC000093955082 193332455 /nfs/dbraw/zinc/33/24/55/193332455.db2.gz CALXWANZEIDBQZ-UHFFFAOYSA-N 1 0 313.833 2.234 10 0 DEAERO CC1(C)CCCC[C@@]1([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000094279705 193355943 /nfs/dbraw/zinc/35/59/43/193355943.db2.gz DRTLLGMQOGPREV-UKRRQHHQSA-N 1 0 302.484 2.346 10 0 DEAERO CC1(C)CCC[C@@H](CN2CCN(CC(F)(F)F)CC2)[C@H]1[NH3+] ZINC000094288316 193356231 /nfs/dbraw/zinc/35/62/31/193356231.db2.gz HKWSWHBMOWHZNA-QWHCGFSZSA-N 1 0 307.404 2.320 10 0 DEAERO CN(CCS(C)(=O)=O)[C@]1(C[NH3+])CCC[C@@H](C(C)(C)C)CC1 ZINC000094297814 193357095 /nfs/dbraw/zinc/35/70/95/193357095.db2.gz HNJMZYWNDGRABW-GDBMZVCRSA-N 1 0 318.527 2.287 10 0 DEAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N(C)CCS(C)(=O)=O ZINC000094298443 193357974 /nfs/dbraw/zinc/35/79/74/193357974.db2.gz JNLDLPFKRCTZQE-HOCLYGCPSA-N 1 0 312.479 2.011 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1CN(C)CCS(C)(=O)=O ZINC000094300453 193358493 /nfs/dbraw/zinc/35/84/93/193358493.db2.gz GVVXLXJYVFYBLK-ARFHVFGLSA-N 1 0 318.527 2.157 10 0 DEAERO CC[C@@H]([NH3+])Cc1c(Cl)cccc1N(C)CCS(C)(=O)=O ZINC000094301360 193358590 /nfs/dbraw/zinc/35/85/90/193358590.db2.gz IPZGJSGWRIVFBJ-LLVKDONJSA-N 1 0 318.870 2.101 10 0 DEAERO C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2cccs2)CC[C@@H]1[NH3+] ZINC000094341378 193361668 /nfs/dbraw/zinc/36/16/68/193361668.db2.gz LMZFDXMCLYQXAK-HZSPNIEDSA-N 1 0 307.463 2.081 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(F)c(OCCCC(=O)NC)c(F)c1 ZINC000094350534 193363070 /nfs/dbraw/zinc/36/30/70/193363070.db2.gz CGBHYAAPXINTKV-NSHDSACASA-N 1 0 300.349 2.150 10 0 DEAERO CC(C)C[NH2+]Cc1cc(F)c(OC[C@H](C)C(N)=O)c(F)c1 ZINC000094347962 193363144 /nfs/dbraw/zinc/36/31/44/193363144.db2.gz GEIFDAKUCXSZNQ-JTQLQIEISA-N 1 0 300.349 2.211 10 0 DEAERO CC[NH2+]Cc1cc(F)c(O[C@H](C)C(=O)NC(C)C)c(F)c1 ZINC000094346900 193363407 /nfs/dbraw/zinc/36/34/07/193363407.db2.gz BJHATEAEHCYKBP-SNVBAGLBSA-N 1 0 300.349 2.366 10 0 DEAERO CC[C@@H](Oc1c(F)cc(C[NH2+]CC(C)C)cc1F)C(N)=O ZINC000094348041 193363728 /nfs/dbraw/zinc/36/37/28/193363728.db2.gz PMFCTTVZFWLTCH-CYBMUJFWSA-N 1 0 300.349 2.353 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccc(Br)cc1N ZINC000094046199 193341303 /nfs/dbraw/zinc/34/13/03/193341303.db2.gz FOJCJGLTYBUVAK-UHFFFAOYSA-N 1 0 314.227 2.055 10 0 DEAERO Cc1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])ncc1Br ZINC000094063643 193342742 /nfs/dbraw/zinc/34/27/42/193342742.db2.gz VRXFZLURSXXVOC-UWVGGRQHSA-N 1 0 312.211 2.466 10 0 DEAERO [NH3+]CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cn1 ZINC000094215128 193349412 /nfs/dbraw/zinc/34/94/12/193349412.db2.gz BQAXLRVWZCOCDO-UHFFFAOYSA-N 1 0 305.765 2.254 10 0 DEAERO Cc1cc(C[NH3+])cc(C)c1O[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634107 193385615 /nfs/dbraw/zinc/38/56/15/193385615.db2.gz PEUKGEOCCSVEOT-GJZGRUSLSA-N 1 0 311.447 2.497 10 0 DEAERO CCC[NH2+][C@H](c1ncccn1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641844 193388635 /nfs/dbraw/zinc/38/86/35/193388635.db2.gz QGMARFKXJAMARV-RDBSUJKOSA-N 1 0 311.451 2.121 10 0 DEAERO C[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(C)(C)N1CCCC1 ZINC000094642887 193389026 /nfs/dbraw/zinc/38/90/26/193389026.db2.gz PHDVDIFODINXMH-QLFBSQMISA-N 1 0 316.511 2.052 10 0 DEAERO C[NH+](C)C1([C@H](O)[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCCCC1 ZINC000094641358 193389034 /nfs/dbraw/zinc/38/90/34/193389034.db2.gz DLUILSXPPPSRRH-QLFBSQMISA-N 1 0 317.495 2.215 10 0 DEAERO CCC[NH2+][C@H](COCCC)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642038 193389201 /nfs/dbraw/zinc/38/92/01/193389201.db2.gz ZRISAGWFZDKVKL-SOUVJXGZSA-N 1 0 305.484 2.385 10 0 DEAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000094670422 193390746 /nfs/dbraw/zinc/39/07/46/193390746.db2.gz FGYDPMAZCUCEQA-XCBNKYQSSA-N 1 0 319.586 2.015 10 0 DEAERO C[NH2+]CCOCCc1c(Br)cc(OC)cc1OC ZINC000094652263 193390823 /nfs/dbraw/zinc/39/08/23/193390823.db2.gz ACKOIFSLGDMUJR-UHFFFAOYSA-N 1 0 318.211 2.245 10 0 DEAERO CC(C)C[C@@H](C[NH3+])C(=O)N1CCN(Cc2cccs2)CC1 ZINC000094698361 193391574 /nfs/dbraw/zinc/39/15/74/193391574.db2.gz JCOVZSCJQUHDCS-AWEZNQCLSA-N 1 0 309.479 2.013 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)[C@H](C[NH3+])CC(C)C)c1 ZINC000094697839 193391837 /nfs/dbraw/zinc/39/18/37/193391837.db2.gz CEWKGGCUTLYQQT-NSHDSACASA-N 1 0 311.813 2.259 10 0 DEAERO NC(=S)[C@H]1CCC[N@@H+]([C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094376112 193367255 /nfs/dbraw/zinc/36/72/55/193367255.db2.gz HCRFATRYJOJHCN-QWHCGFSZSA-N 1 0 314.520 2.429 10 0 DEAERO CC(C)[N@H+](CC(N)=S)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094376158 193367324 /nfs/dbraw/zinc/36/73/24/193367324.db2.gz MKEDTRKQSMAULY-GFCCVEGCSA-N 1 0 302.509 2.428 10 0 DEAERO Cc1ccc(O[C@@H]2CCO[C@]3(CCSC3)C2)c(CC[NH3+])n1 ZINC000094408764 193367538 /nfs/dbraw/zinc/36/75/38/193367538.db2.gz MAEWWYODMRPJND-CZUORRHYSA-N 1 0 308.447 2.325 10 0 DEAERO C[NH2+]CCc1c(C)nn([C@@H]2CCO[C@]3(CCSC3)C2)c1C ZINC000094414596 193368667 /nfs/dbraw/zinc/36/86/67/193368667.db2.gz WZJTUPRDHZLKMQ-GDBMZVCRSA-N 1 0 309.479 2.489 10 0 DEAERO CC[C@H]1CN(CCCS(=O)(=O)CC)c2ccccc2C[NH2+]1 ZINC000094421312 193368964 /nfs/dbraw/zinc/36/89/64/193368964.db2.gz KAONSLPOTAINEG-HNNXBMFYSA-N 1 0 310.463 2.200 10 0 DEAERO CCCNc1snnc1CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094442194 193370103 /nfs/dbraw/zinc/37/01/03/193370103.db2.gz JEVCGBOLRPGEMF-QWHCGFSZSA-N 1 0 309.483 2.419 10 0 DEAERO C[C@H]1C[C@@](C[NH3+])(N2CCN(Cc3ccccc3)CC2)CS1 ZINC000094473231 193372601 /nfs/dbraw/zinc/37/26/01/193372601.db2.gz ICTQEYHJDKCYTR-RDJZCZTQSA-N 1 0 305.491 2.027 10 0 DEAERO C[C@H]1SCCC[C@@]1(C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000094478704 193372921 /nfs/dbraw/zinc/37/29/21/193372921.db2.gz UBXRGRXQYZZDBZ-WBVHZDCISA-N 1 0 305.491 2.422 10 0 DEAERO CCC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@H]1CSCCO1 ZINC000094504847 193374241 /nfs/dbraw/zinc/37/42/41/193374241.db2.gz BBZWJHVRFMXQBP-WCQYABFASA-N 1 0 317.886 2.425 10 0 DEAERO CCn1nc(C[C@H]([NH2+]C)[C@@H]2CSCCO2)c2ccccc21 ZINC000094503377 193374592 /nfs/dbraw/zinc/37/45/92/193374592.db2.gz ZUOWYZSSWQXICP-HOCLYGCPSA-N 1 0 305.447 2.319 10 0 DEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)[C@@H]1CSCCS1 ZINC000094498043 193374693 /nfs/dbraw/zinc/37/46/93/193374693.db2.gz ZTYQCVJKPKTQGD-RYUDHWBXSA-N 1 0 311.538 2.028 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000094550123 193378839 /nfs/dbraw/zinc/37/88/39/193378839.db2.gz JXQUGGRAUYOTEJ-MWLCHTKSSA-N 1 0 322.352 2.063 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2cc(Br)ccc2F)C1 ZINC000094549530 193378870 /nfs/dbraw/zinc/37/88/70/193378870.db2.gz MHGCHLRTQBNVRH-SCZZXKLOSA-N 1 0 315.186 2.398 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000094549633 193378895 /nfs/dbraw/zinc/37/88/95/193378895.db2.gz KJSCGOCYIQOWGR-NTSWFWBYSA-N 1 0 308.250 2.191 10 0 DEAERO Cc1cc(NC(=O)[C@H]2CC[C@@H](C[NH3+])O2)ccc1Br ZINC000094563227 193379841 /nfs/dbraw/zinc/37/98/41/193379841.db2.gz ZWBWZENEFOVDEA-CMPLNLGQSA-N 1 0 313.195 2.202 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2CC[C@@H](C[NH3+])O2)c(Br)c1 ZINC000094562721 193380190 /nfs/dbraw/zinc/38/01/90/193380190.db2.gz JCRVORNUHLLVEU-JOYOIKCWSA-N 1 0 313.195 2.202 10 0 DEAERO Cc1cc(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)ccc1Br ZINC000094563225 193380296 /nfs/dbraw/zinc/38/02/96/193380296.db2.gz ZWBWZENEFOVDEA-ZYHUDNBSSA-N 1 0 313.195 2.202 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094567732 193380680 /nfs/dbraw/zinc/38/06/80/193380680.db2.gz GVLMIKFKGAEHMQ-GXSJLCMTSA-N 1 0 302.827 2.256 10 0 DEAERO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000094567658 193380829 /nfs/dbraw/zinc/38/08/29/193380829.db2.gz YGEHPTPTHIGSCX-JQWIXIFHSA-N 1 0 317.216 2.458 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2CC[C@@H](C[NH3+])O2)cc1Br ZINC000094571914 193381302 /nfs/dbraw/zinc/38/13/02/193381302.db2.gz OBDIUBJBHMLHGA-CMPLNLGQSA-N 1 0 313.195 2.202 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1cc(C(F)(F)F)ccc1N ZINC000094595456 193381684 /nfs/dbraw/zinc/38/16/84/193381684.db2.gz HVPXLIDIMFDXFN-UHFFFAOYSA-N 1 0 303.328 2.359 10 0 DEAERO CC[N@@H+]1CCC[C@H](Nc2nc3c(Br)cccn3n2)C1 ZINC000094603789 193383867 /nfs/dbraw/zinc/38/38/67/193383867.db2.gz NWBBNHBJFOQLIS-JTQLQIEISA-N 1 0 324.226 2.388 10 0 DEAERO CN(c1nc2c(Br)cccn2n1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000094608863 193384384 /nfs/dbraw/zinc/38/43/84/193384384.db2.gz WVWWLWWJVQNJPP-KOLCDFICSA-N 1 0 324.226 2.055 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1c1nc2c(Br)cccn2n1 ZINC000094607926 193384491 /nfs/dbraw/zinc/38/44/91/193384491.db2.gz JCRIPRXFNPVEGL-JTQLQIEISA-N 1 0 324.226 2.070 10 0 DEAERO Clc1ccc2nc(N3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)nn2c1 ZINC000094607972 193384838 /nfs/dbraw/zinc/38/48/38/193384838.db2.gz HMITZNDFXNAIHZ-QWHCGFSZSA-N 1 0 305.813 2.494 10 0 DEAERO COc1ccc(F)c(NS(=O)(=O)c2ccc(C[NH3+])cc2)c1 ZINC000094854686 193403231 /nfs/dbraw/zinc/40/32/31/193403231.db2.gz QFOIVQIVBYYHJS-UHFFFAOYSA-N 1 0 310.350 2.094 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1c(F)cc(Br)cc1F ZINC000094716971 193393591 /nfs/dbraw/zinc/39/35/91/193393591.db2.gz DMUIQHXJWXRMEA-VHSXEESVSA-N 1 0 319.149 2.337 10 0 DEAERO CC1(C[NH2+]CC(=O)Nc2ccc(Br)cc2)COC1 ZINC000094722226 193393621 /nfs/dbraw/zinc/39/36/21/193393621.db2.gz FCHQRRYMPRNBEW-UHFFFAOYSA-N 1 0 313.195 2.014 10 0 DEAERO NC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000094750380 193395758 /nfs/dbraw/zinc/39/57/58/193395758.db2.gz DNGGLJASSQMKDE-CMPLNLGQSA-N 1 0 309.797 2.285 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC000453429539 245135897 /nfs/dbraw/zinc/13/58/97/245135897.db2.gz IKAPJWWRKGZZNX-YSVLISHTSA-N 1 0 302.418 2.369 10 0 DEAERO COc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)n1 ZINC000282591565 217111072 /nfs/dbraw/zinc/11/10/72/217111072.db2.gz CGHXMCZMYPBJEC-GFCCVEGCSA-N 1 0 309.410 2.435 10 0 DEAERO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000266235383 205203561 /nfs/dbraw/zinc/20/35/61/205203561.db2.gz SKFMLGZQHWBKJP-BPLDGKMQSA-N 1 0 318.417 2.018 10 0 DEAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+][C@H]1CCCOC1 ZINC000288396112 220129852 /nfs/dbraw/zinc/12/98/52/220129852.db2.gz HLVOURWOIPYCCN-ZDUSSCGKSA-N 1 0 301.346 2.074 10 0 DEAERO c1ccc(C[N@H+]2CC[C@@H](SCCN3CCOCC3)C2)cc1 ZINC000283007562 217383744 /nfs/dbraw/zinc/38/37/44/217383744.db2.gz LERZMRXFNVSQMU-QGZVFWFLSA-N 1 0 306.475 2.326 10 0 DEAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCc2ccncc2)CC1 ZINC000153842999 291577370 /nfs/dbraw/zinc/57/73/70/291577370.db2.gz QLSBVGHAGHWUBA-HNNXBMFYSA-N 1 0 303.450 2.497 10 0 DEAERO Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2CCO)ccc1Cl ZINC000019994278 182175549 /nfs/dbraw/zinc/17/55/49/182175549.db2.gz CGPBZSQFIPMKGB-LBPRGKRZSA-N 1 0 311.813 2.098 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000020010524 182177649 /nfs/dbraw/zinc/17/76/49/182177649.db2.gz JJBAZRZNXQDCBM-GXSJLCMTSA-N 1 0 323.336 2.423 10 0 DEAERO COc1ccc(CNc2nc(NN)[nH+]cc2Cl)c(OC)c1 ZINC000160246495 197395015 /nfs/dbraw/zinc/39/50/15/197395015.db2.gz BLGFVRGKQZQASC-UHFFFAOYSA-N 1 0 309.757 2.045 10 0 DEAERO [NH3+]C[C@H]1CCN(c2ccc(I)cc2)C1 ZINC000020478068 182222246 /nfs/dbraw/zinc/22/22/46/182222246.db2.gz DZHBRLVFJCFKJY-SECBINFHSA-N 1 0 302.159 2.076 10 0 DEAERO Cc1ncc2c(c1-c1noc([C@@H]3CCCCN3C)n1)CC[NH2+]C2 ZINC000020535761 182227967 /nfs/dbraw/zinc/22/79/67/182227967.db2.gz STDKMBGNCQERCD-AWEZNQCLSA-N 1 0 313.405 2.243 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](OC)[C@H](C)C2)CC1 ZINC000454654360 246037398 /nfs/dbraw/zinc/03/73/98/246037398.db2.gz OFSDRBYZVOPZFR-GDBMZVCRSA-N 1 0 311.470 2.175 10 0 DEAERO C[C@H](Sc1ncccn1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000031866574 182627013 /nfs/dbraw/zinc/62/70/13/182627013.db2.gz WFKRALRMNQZGKH-NSHDSACASA-N 1 0 322.478 2.383 10 0 DEAERO CCC[NH+]1CCC(N(C)C(=O)c2nnc(Cl)s2)CC1 ZINC000159842236 197367816 /nfs/dbraw/zinc/36/78/16/197367816.db2.gz NOZODSUCPRNIHS-UHFFFAOYSA-N 1 0 302.831 2.138 10 0 DEAERO O=C(NC1C[NH2+]C1)c1cc(C(F)(F)F)ccc1Br ZINC000159813025 197366716 /nfs/dbraw/zinc/36/67/16/197366716.db2.gz GFNAXCYZWZUUCY-UHFFFAOYSA-N 1 0 323.112 2.170 10 0 DEAERO COC[C@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458231623 248221632 /nfs/dbraw/zinc/22/16/32/248221632.db2.gz HGPHUPJSWKXAEE-RDJZCZTQSA-N 1 0 319.449 2.405 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CCCC[C@H]2COC)CC1 ZINC000458448865 248313986 /nfs/dbraw/zinc/31/39/86/248313986.db2.gz DSDGHIGUHBSMEI-INIZCTEOSA-N 1 0 311.470 2.319 10 0 DEAERO CCCNS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038050892 182982636 /nfs/dbraw/zinc/98/26/36/182982636.db2.gz CNDRPJLIUAKSJN-HUUCEWRRSA-N 1 0 311.451 2.057 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cc(Br)ccc2C)C1 ZINC000040633595 183111671 /nfs/dbraw/zinc/11/16/71/183111671.db2.gz XXVXRRWKIDAVHI-CMPLNLGQSA-N 1 0 313.195 2.073 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000040634080 183111735 /nfs/dbraw/zinc/11/17/35/183111735.db2.gz CXTIHTREPYZXBF-STQMWFEESA-N 1 0 303.387 2.126 10 0 DEAERO CCOC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000040615576 183109555 /nfs/dbraw/zinc/10/95/55/183109555.db2.gz CXEFHHWGMIVTTN-MRXNPFEDSA-N 1 0 318.417 2.201 10 0 DEAERO Cc1ccc([C@H](CNS(C)(=O)=O)[NH+]2CCC(C)CC2)cc1 ZINC000040615808 183109615 /nfs/dbraw/zinc/10/96/15/183109615.db2.gz BHARRITZAQGJCJ-INIZCTEOSA-N 1 0 310.463 2.317 10 0 DEAERO COC(=O)c1sccc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000040832883 183139426 /nfs/dbraw/zinc/13/94/26/183139426.db2.gz KRMDUGLWNIAXGA-NSHDSACASA-N 1 0 304.371 2.043 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749887 183128554 /nfs/dbraw/zinc/12/85/54/183128554.db2.gz YNHHVYDIJKFBEQ-YOGCLGLASA-N 1 0 314.838 2.291 10 0 DEAERO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000040746786 183128743 /nfs/dbraw/zinc/12/87/43/183128743.db2.gz XNMYGGBWRFUEMQ-FUNVUKJBSA-N 1 0 314.838 2.244 10 0 DEAERO COc1cc(C[NH3+])cc(Br)c1OC[C@@H]1CCOC1 ZINC000041079319 183164178 /nfs/dbraw/zinc/16/41/78/183164178.db2.gz ARFHGNGCESUOTH-SECBINFHSA-N 1 0 316.195 2.332 10 0 DEAERO COC(=O)Cc1c(C)[nH+]c2ccc(F)cc2c1NC[C@H](C)O ZINC000041473553 183193991 /nfs/dbraw/zinc/19/39/91/183193991.db2.gz VHPCKEKCCKDJEO-VIFPVBQESA-N 1 0 306.337 2.191 10 0 DEAERO CCc1cccc(C)c1NC(=O)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000041604157 183209678 /nfs/dbraw/zinc/20/96/78/183209678.db2.gz MJVFUNUAOVLFQO-AWEZNQCLSA-N 1 0 319.449 2.342 10 0 DEAERO COCCCN(CCOC)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042421000 183267753 /nfs/dbraw/zinc/26/77/53/183267753.db2.gz AUOGKWAMCOZNSG-HNNXBMFYSA-N 1 0 300.830 2.325 10 0 DEAERO COCCN(C)[C@H](C[NH3+])c1ccc(Br)cc1F ZINC000042458536 183272640 /nfs/dbraw/zinc/27/26/40/183272640.db2.gz PLWZQWRBDIRTKD-GFCCVEGCSA-N 1 0 305.191 2.166 10 0 DEAERO COCCN(C)[C@H](C[NH3+])c1cc(Br)ccc1OC ZINC000042458844 183273133 /nfs/dbraw/zinc/27/31/33/183273133.db2.gz FAJCSRMLVDRNBV-GFCCVEGCSA-N 1 0 317.227 2.036 10 0 DEAERO CC[N@H+](CCCOc1ccccc1C(N)=S)[C@@H](C)COC ZINC000042765869 183306055 /nfs/dbraw/zinc/30/60/55/183306055.db2.gz FIPDMBIXQXNBQO-ZDUSSCGKSA-N 1 0 310.463 2.447 10 0 DEAERO CC[N@H+](CCOc1ccc(CC(N)=S)cc1)[C@H](C)COC ZINC000042765879 183306137 /nfs/dbraw/zinc/30/61/37/183306137.db2.gz SMNAOTKANKZJSL-CYBMUJFWSA-N 1 0 310.463 2.251 10 0 DEAERO CCC(CC)N(CCOC)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000042689745 183296242 /nfs/dbraw/zinc/29/62/42/183296242.db2.gz OGJLVEXOMYVOSR-UHFFFAOYSA-N 1 0 320.480 2.033 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCC(C(N)=O)CC1 ZINC000042975091 183325445 /nfs/dbraw/zinc/32/54/45/183325445.db2.gz ICVHTOFLJJWAOJ-LSDHHAIUSA-N 1 0 309.841 2.316 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC(CC(N)=O)CC1 ZINC000043015940 183327697 /nfs/dbraw/zinc/32/76/97/183327697.db2.gz XJBRPLZGDYKQTO-BDJLRTHQSA-N 1 0 309.841 2.316 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCCC[C@@H]1C(N)=O ZINC000043015841 183328015 /nfs/dbraw/zinc/32/80/15/183328015.db2.gz RVYCIOCETNYYOA-RRFJBIMHSA-N 1 0 309.841 2.458 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCC[C@@H]1CO ZINC000043021120 183329701 /nfs/dbraw/zinc/32/97/01/183329701.db2.gz ATTICBLHDGMGOI-HONMWMINSA-N 1 0 313.239 2.294 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1F ZINC000043050379 183332512 /nfs/dbraw/zinc/33/25/12/183332512.db2.gz OUYFZBOADJREJT-ZWNOBZJWSA-N 1 0 308.382 2.062 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCS(=O)CC1 ZINC000043052235 183332912 /nfs/dbraw/zinc/33/29/12/183332912.db2.gz AJZUYSQENTXJLW-ZIAGYGMSSA-N 1 0 300.855 2.183 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(C)s1 ZINC000043247025 183346937 /nfs/dbraw/zinc/34/69/37/183346937.db2.gz UUUSAKMTYBQJPY-PELKAZGASA-N 1 0 310.448 2.293 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CCO ZINC000043261130 183349093 /nfs/dbraw/zinc/34/90/93/183349093.db2.gz XLMKLGKKFVLCAR-GZMMTYOYSA-N 1 0 307.257 2.213 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N(C)CCO ZINC000043261125 183349163 /nfs/dbraw/zinc/34/91/63/183349163.db2.gz XLMKLGKKFVLCAR-KWQFWETISA-N 1 0 307.257 2.213 10 0 DEAERO [NH3+]C[C@H](c1cc(Br)cs1)N1CCCC[C@@H]1CO ZINC000043286345 183350280 /nfs/dbraw/zinc/35/02/80/183350280.db2.gz DFWJFEFQIIVRJO-GHMZBOCLSA-N 1 0 319.268 2.357 10 0 DEAERO CN(C)C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000043411240 183359578 /nfs/dbraw/zinc/35/95/78/183359578.db2.gz JVBMGFIEQUZKNG-GFCCVEGCSA-N 1 0 300.830 2.010 10 0 DEAERO CCC[NH2+][C@H](c1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043301181 183352096 /nfs/dbraw/zinc/35/20/96/183352096.db2.gz ZHGNYAYVDDLMHX-YGRLFVJLSA-N 1 0 303.374 2.440 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCN(c2nccs2)CC1 ZINC000043334568 183356155 /nfs/dbraw/zinc/35/61/55/183356155.db2.gz ORLQLYRPQCKOFA-TZMCWYRMSA-N 1 0 306.435 2.337 10 0 DEAERO Cc1ccc([C@@H](C[NH3+])Sc2nnnn2-c2ccccc2)o1 ZINC000043367383 183357600 /nfs/dbraw/zinc/35/76/00/183357600.db2.gz VRKKOBYZMDZADI-CYBMUJFWSA-N 1 0 301.375 2.356 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1ccccc1Cl ZINC000043090131 183334967 /nfs/dbraw/zinc/33/49/67/183334967.db2.gz SMXXLSOTSYKTMZ-JVXZTZIISA-N 1 0 309.826 2.475 10 0 DEAERO CC[C@H]([NH3+])Cc1ccc(O[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000043492503 183367337 /nfs/dbraw/zinc/36/73/37/183367337.db2.gz UPWQJIYACBMVLP-RYUDHWBXSA-N 1 0 317.838 2.186 10 0 DEAERO C[NH2+][C@@H](CN1C(=O)CCC1=O)c1cccc(C(F)(F)F)c1 ZINC000043993527 183391971 /nfs/dbraw/zinc/39/19/71/183391971.db2.gz BCQSHZVKNZYNLO-NSHDSACASA-N 1 0 300.280 2.115 10 0 DEAERO CCCC(C[NH3+])(CCC)C(=O)N(CCCOC)CCOC ZINC000044807117 183439618 /nfs/dbraw/zinc/43/96/18/183439618.db2.gz QQHBMNHYDXBPQJ-UHFFFAOYSA-N 1 0 302.459 2.043 10 0 DEAERO [NH3+][C@@H]1C[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000159798102 197365003 /nfs/dbraw/zinc/36/50/03/197365003.db2.gz QXVOUSCJPBAULR-BDAKNGLRSA-N 1 0 323.112 2.297 10 0 DEAERO CC(C)[NH2+][C@@](C)(CSc1ccc(C(F)(F)F)cn1)C(N)=O ZINC000045559362 183515874 /nfs/dbraw/zinc/51/58/74/183515874.db2.gz UCAJHFWTLGVDGO-LBPRGKRZSA-N 1 0 321.368 2.435 10 0 DEAERO CO[C@@H]1C[C@@H](CO)N(Cc2cc(Br)cs2)C1 ZINC000284608991 218097785 /nfs/dbraw/zinc/09/77/85/218097785.db2.gz QLKHXBVBWQGKMX-VHSXEESVSA-N 1 0 306.225 2.092 10 0 DEAERO O[C@H](C[NH+]1CCC(Cn2cccn2)CC1)c1ccc(F)cc1 ZINC000105886798 194157771 /nfs/dbraw/zinc/15/77/71/194157771.db2.gz ZKGCPNUOSLGERE-QGZVFWFLSA-N 1 0 303.381 2.468 10 0 DEAERO COC(=O)c1coc(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000105887307 194159214 /nfs/dbraw/zinc/15/92/14/194159214.db2.gz CJVQESQULVEVPF-UHFFFAOYSA-N 1 0 303.362 2.175 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(OC(F)F)cc1 ZINC000105932391 194172538 /nfs/dbraw/zinc/17/25/38/194172538.db2.gz RCCTTWJFWLFVMT-FZMZJTMJSA-N 1 0 300.349 2.269 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000285076032 218280767 /nfs/dbraw/zinc/28/07/67/218280767.db2.gz JJGZJDYTDRICIU-ZDUSSCGKSA-N 1 0 308.426 2.037 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CCOC)cc1 ZINC000049015360 183702315 /nfs/dbraw/zinc/70/23/15/183702315.db2.gz GFZNZYZDKZJGEQ-ZDUSSCGKSA-N 1 0 314.451 2.014 10 0 DEAERO CCC1CCC(NS(=O)(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000049122535 183714352 /nfs/dbraw/zinc/71/43/52/183714352.db2.gz UCVKOEYULZYVNJ-SHARSMKWSA-N 1 0 302.484 2.407 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cscc2Br)C1 ZINC000285316575 218379528 /nfs/dbraw/zinc/37/95/28/218379528.db2.gz MMRMJSORFYZLNS-MRVPVSSYSA-N 1 0 303.225 2.287 10 0 DEAERO C[C@H]1CN(Cc2ccc(Br)c(N)c2)C[C@@H]1[NH+](C)C ZINC000159371777 197348377 /nfs/dbraw/zinc/34/83/77/197348377.db2.gz HERHIOLMDUAINY-HZMBPMFUSA-N 1 0 312.255 2.413 10 0 DEAERO CC(C)NS(=O)(=O)c1ccc(OCCC[NH2+]C(C)C)cc1 ZINC000051872105 183839521 /nfs/dbraw/zinc/83/95/21/183839521.db2.gz FURQYMGFSZWCIA-UHFFFAOYSA-N 1 0 314.451 2.140 10 0 DEAERO O=C(CN1CCC([NH+]2CCCC2)CC1)Nc1cccc(F)c1 ZINC000051925545 183842824 /nfs/dbraw/zinc/84/28/24/183842824.db2.gz XFRJTRNDQJCOHG-UHFFFAOYSA-N 1 0 305.397 2.324 10 0 DEAERO COc1ccc(CC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000109819561 194289050 /nfs/dbraw/zinc/28/90/50/194289050.db2.gz ZFISSENMVWLQLH-GOSISDBHSA-N 1 0 318.461 2.424 10 0 DEAERO C[C@H](NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000052343637 183858337 /nfs/dbraw/zinc/85/83/37/183858337.db2.gz QQQCBRVXMHDJFL-ZFWWWQNUSA-N 1 0 302.484 2.407 10 0 DEAERO CCC[NH2+]C[C@@H](Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052951003 183881422 /nfs/dbraw/zinc/88/14/22/183881422.db2.gz AXIABTDDRLAHMR-ZIAGYGMSSA-N 1 0 301.477 2.341 10 0 DEAERO C[NH2+]C[C@@H](Cc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000052949771 183881443 /nfs/dbraw/zinc/88/14/43/183881443.db2.gz XLVHPHAYUVTYIR-NWDGAFQWSA-N 1 0 319.829 2.292 10 0 DEAERO CCCCOCC[C@@H](C[NH2+]C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052951487 183881522 /nfs/dbraw/zinc/88/15/22/183881522.db2.gz OXVRAVFSMNQDOV-GJZGRUSLSA-N 1 0 305.484 2.242 10 0 DEAERO CC[C@@H]1C(=O)NCCN1c1cccc(Cl)c1C[NH2+]C1CC1 ZINC000110682702 194349597 /nfs/dbraw/zinc/34/95/97/194349597.db2.gz LKENMEFJUMWAPF-CQSZACIVSA-N 1 0 307.825 2.307 10 0 DEAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000110942398 194372045 /nfs/dbraw/zinc/37/20/45/194372045.db2.gz YNPRXSUFKNDRTO-ZDUSSCGKSA-N 1 0 316.854 2.493 10 0 DEAERO CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1C ZINC000110941360 194372606 /nfs/dbraw/zinc/37/26/06/194372606.db2.gz VTLQBPGXZRHDOS-CYBMUJFWSA-N 1 0 316.854 2.411 10 0 DEAERO CC[C@@H]([NH3+])[C@H](SCCS(C)(=O)=O)c1ccccc1OC ZINC000111004559 194381058 /nfs/dbraw/zinc/38/10/58/194381058.db2.gz ZOAVYFBQCDCAKE-TZMCWYRMSA-N 1 0 317.476 2.251 10 0 DEAERO CC[NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1Cl ZINC000111042411 194386365 /nfs/dbraw/zinc/38/63/65/194386365.db2.gz BZNNCRKSILWGIH-UHFFFAOYSA-N 1 0 305.691 2.444 10 0 DEAERO Cc1sc(C[NH3+])cc1S(=O)(=O)N1CCSC(C)(C)C1 ZINC000159321808 197344867 /nfs/dbraw/zinc/34/48/67/197344867.db2.gz AVLRUULFASVNNM-UHFFFAOYSA-N 1 0 320.505 2.031 10 0 DEAERO Cc1nnc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)s1 ZINC000056557091 184015567 /nfs/dbraw/zinc/01/55/67/184015567.db2.gz YUQIAULXBGNUOB-CYBMUJFWSA-N 1 0 319.434 2.141 10 0 DEAERO CC[NH2+]C[C@H](Cc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000157309157 197178280 /nfs/dbraw/zinc/17/82/80/197178280.db2.gz ORUQKFMKVWUFMI-RYUDHWBXSA-N 1 0 317.401 2.168 10 0 DEAERO O=C(c1ccc(Br)o1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000060079431 184144190 /nfs/dbraw/zinc/14/41/90/184144190.db2.gz QKGLTVGFGHYQET-JTQLQIEISA-N 1 0 313.195 2.352 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000061232287 184166798 /nfs/dbraw/zinc/16/67/98/184166798.db2.gz JHBPZRGPJRRKTP-JTQLQIEISA-N 1 0 311.813 2.226 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccc(Br)o1 ZINC000061237229 184166906 /nfs/dbraw/zinc/16/69/06/184166906.db2.gz CXJYRDPFQNWANI-SECBINFHSA-N 1 0 303.200 2.246 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000061267317 184167186 /nfs/dbraw/zinc/16/71/86/184167186.db2.gz XKWYUXASZVKKHX-JTQLQIEISA-N 1 0 304.312 2.447 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000061270392 184167449 /nfs/dbraw/zinc/16/74/49/184167449.db2.gz CNBUXNGDKARWJV-SECBINFHSA-N 1 0 318.826 2.070 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000061290289 184167683 /nfs/dbraw/zinc/16/76/83/184167683.db2.gz CGSYTAMUNJDDPW-MNOVXSKESA-N 1 0 310.360 2.381 10 0 DEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(I)cc1 ZINC000061300340 184167875 /nfs/dbraw/zinc/16/78/75/184167875.db2.gz JDBOLNCTTYZZMZ-UHFFFAOYSA-N 1 0 318.158 2.228 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCc3cc(OC)ccc32)C1 ZINC000060558699 184152050 /nfs/dbraw/zinc/15/20/50/184152050.db2.gz FKKBJOJRIZDOCT-AWEZNQCLSA-N 1 0 303.406 2.252 10 0 DEAERO CCN(CC)c1nc(Cl)nc(NC[C@H]2CCCC[N@@H+]2C)n1 ZINC000061540840 184173411 /nfs/dbraw/zinc/17/34/11/184173411.db2.gz DKHKLIQWSHXNKM-LLVKDONJSA-N 1 0 312.849 2.267 10 0 DEAERO CCN(CC)c1nc(Cl)nc(NC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000061540838 184173771 /nfs/dbraw/zinc/17/37/71/184173771.db2.gz DKHKLIQWSHXNKM-NSHDSACASA-N 1 0 312.849 2.267 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1cccc(F)c1 ZINC000061594721 184175969 /nfs/dbraw/zinc/17/59/69/184175969.db2.gz NRUHVLYBKXRGHO-PRHODGIISA-N 1 0 308.382 2.226 10 0 DEAERO CCCn1c(S[C@H](C[NH3+])c2ccc(Cl)cc2)n[nH]c1=O ZINC000061594854 184176408 /nfs/dbraw/zinc/17/64/08/184176408.db2.gz BTSZIVZQYALAGT-LLVKDONJSA-N 1 0 312.826 2.427 10 0 DEAERO CCCn1c(S[C@@H](c2ccccc2F)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594951 184176410 /nfs/dbraw/zinc/17/64/10/184176410.db2.gz CFRYGBWBUZZMRO-JOYOIKCWSA-N 1 0 310.398 2.301 10 0 DEAERO O=C(c1cc2c(c(Cl)c1)OCO2)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605367 184177307 /nfs/dbraw/zinc/17/73/07/184177307.db2.gz NCVLHHUMSUCSBB-UHFFFAOYSA-N 1 0 322.792 2.379 10 0 DEAERO C[C@]([NH2+]C1CC1)(C(N)=O)c1ccc(F)c(Br)c1 ZINC000061689304 184182837 /nfs/dbraw/zinc/18/28/37/184182837.db2.gz VBBPLLZCCQMEBV-GFCCVEGCSA-N 1 0 301.159 2.041 10 0 DEAERO COCC[NH2+]C[C@](C)(O)c1ccc(F)c(Br)c1 ZINC000061689981 184182967 /nfs/dbraw/zinc/18/29/67/184182967.db2.gz WQTAXSJPKDSAFJ-LBPRGKRZSA-N 1 0 306.175 2.032 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000061702776 184184401 /nfs/dbraw/zinc/18/44/01/184184401.db2.gz CWAYMKUNVCMEBI-INIZCTEOSA-N 1 0 305.399 2.430 10 0 DEAERO C[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2N)CCCO1 ZINC000061912877 184195074 /nfs/dbraw/zinc/19/50/74/184195074.db2.gz QHCJWALTPKARGY-NSHDSACASA-N 1 0 311.813 2.362 10 0 DEAERO [NH3+]C[C@H](c1ccc(Br)cc1F)N1CCCOCC1 ZINC000061916419 184195338 /nfs/dbraw/zinc/19/53/38/184195338.db2.gz JFNJSQYAIABTKJ-CYBMUJFWSA-N 1 0 317.202 2.310 10 0 DEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccccc2OC(F)F)CCCO1 ZINC000061916123 184195377 /nfs/dbraw/zinc/19/53/77/184195377.db2.gz DLSGCMANMGAJKC-AAEUAGOBSA-N 1 0 300.349 2.399 10 0 DEAERO CC[NH2+][C@H]1CCCCC[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941250 184197223 /nfs/dbraw/zinc/19/72/23/184197223.db2.gz VYQLEKFOILSDKG-KBPBESRZSA-N 1 0 307.404 2.477 10 0 DEAERO CC(C)[C@@H]1CC[C@H](O)[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000061942846 184197753 /nfs/dbraw/zinc/19/77/53/184197753.db2.gz XGVXJRWOZPEOBN-MCIONIFRSA-N 1 0 308.388 2.352 10 0 DEAERO CCC[C@@H]1CC[C@@H](O)[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000061942863 184197811 /nfs/dbraw/zinc/19/78/11/184197811.db2.gz YOXRIGQFXIINLX-MGPQQGTHSA-N 1 0 308.388 2.496 10 0 DEAERO CCC[NH2+][C@@H]1CCC[C@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000061947636 184198113 /nfs/dbraw/zinc/19/81/13/184198113.db2.gz URAGABNBBWAPOK-UONOGXRCSA-N 1 0 307.404 2.335 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N[C@@H](C)Cc1ccc(F)cc1 ZINC000062037927 184202780 /nfs/dbraw/zinc/20/27/80/184202780.db2.gz BSZSIXQPQLFGIN-ZDUSSCGKSA-N 1 0 316.442 2.064 10 0 DEAERO Cc1cc(C(=O)NCC(C)(C)[NH+](C)C)nn1-c1ccccc1F ZINC000062092661 184205336 /nfs/dbraw/zinc/20/53/36/184205336.db2.gz VXJFHWSGXVXWJT-UHFFFAOYSA-N 1 0 318.396 2.390 10 0 DEAERO CC(C)CN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000062209883 184220270 /nfs/dbraw/zinc/22/02/70/184220270.db2.gz RAHUNXUMXRYVGE-UFBFGSQYSA-N 1 0 301.184 2.299 10 0 DEAERO CS(=O)(=O)c1ccc([C@@H]([NH3+])c2ccc3c(c2)COC3)cc1 ZINC000062332440 184230813 /nfs/dbraw/zinc/23/08/13/184230813.db2.gz QCUUTPGUBOMAPJ-MRXNPFEDSA-N 1 0 303.383 2.168 10 0 DEAERO CCOC(=O)[C@@H](C)Oc1ccc(CC[NH3+])cc1Br ZINC000062703893 184248672 /nfs/dbraw/zinc/24/86/72/184248672.db2.gz KELZOYXSOMJTBL-SECBINFHSA-N 1 0 316.195 2.281 10 0 DEAERO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1O[C@@H](C)C(N)=O ZINC000062727783 184250894 /nfs/dbraw/zinc/25/08/94/184250894.db2.gz WPJQFUOKEJJCFC-VIFPVBQESA-N 1 0 314.813 2.489 10 0 DEAERO CC(C)(C)[NH2+]Cc1c(N2CCC[C@@H]2CO)nc2sccn12 ZINC000062736777 184251045 /nfs/dbraw/zinc/25/10/45/184251045.db2.gz ZKUCGDZKBJPUOU-LLVKDONJSA-N 1 0 308.451 2.245 10 0 DEAERO CCOC(=O)COc1ccc(Cl)cc1C[NH2+]CCOC ZINC000062731064 184251548 /nfs/dbraw/zinc/25/15/48/184251548.db2.gz CXHQXXJZNKSBMX-UHFFFAOYSA-N 1 0 301.770 2.018 10 0 DEAERO CCOC(=O)[C@H](C)Oc1ccc(C[NH2+]CCOC)cc1Cl ZINC000062730589 184251605 /nfs/dbraw/zinc/25/16/05/184251605.db2.gz RRJKDFHPFCMMMN-NSHDSACASA-N 1 0 315.797 2.406 10 0 DEAERO CC(C)C[NH2+]Cc1c(N2CCC[C@@H](O)C2)nc2sccn12 ZINC000062737125 184251781 /nfs/dbraw/zinc/25/17/81/184251781.db2.gz KOZRZUZWUKYDJB-GFCCVEGCSA-N 1 0 308.451 2.103 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H]1CCS(=O)(=O)C1 ZINC000062746694 184251981 /nfs/dbraw/zinc/25/19/81/184251981.db2.gz DUDKALOEFQQUFK-CMPLNLGQSA-N 1 0 301.383 2.062 10 0 DEAERO COC(=O)c1ccc(Cl)cc1NC(=O)C1(C)CC[NH2+]CC1 ZINC000062840054 184255564 /nfs/dbraw/zinc/25/55/64/184255564.db2.gz ZHTPLNZLAPPYJV-UHFFFAOYSA-N 1 0 310.781 2.455 10 0 DEAERO C[C@@H]1[NH2+]CCCN(Cc2cc(Br)cs2)C1=O ZINC000063215310 184279001 /nfs/dbraw/zinc/27/90/01/184279001.db2.gz SWDZQLUIRUBMMN-QMMMGPOBSA-N 1 0 303.225 2.221 10 0 DEAERO CC[NH2+][C@H](C)c1ccccc1NS(=O)(=O)CCOCC ZINC000063153870 184274435 /nfs/dbraw/zinc/27/44/35/184274435.db2.gz AODSELAYPBKHBX-GFCCVEGCSA-N 1 0 300.424 2.135 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000063168242 184275706 /nfs/dbraw/zinc/27/57/06/184275706.db2.gz WFDRLDDWSDIHGV-LLVKDONJSA-N 1 0 320.817 2.242 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)cc1Cl ZINC000063168692 184275758 /nfs/dbraw/zinc/27/57/58/184275758.db2.gz XLEFDATVQFJUEG-LBPRGKRZSA-N 1 0 313.804 2.492 10 0 DEAERO CC(C)n1cc(Br)cc1C(=O)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000063172536 184276315 /nfs/dbraw/zinc/27/63/15/184276315.db2.gz ZEZKKNPXHRTWBU-WDEREUQCSA-N 1 0 314.227 2.441 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000063175824 184276635 /nfs/dbraw/zinc/27/66/35/184276635.db2.gz GGEREEBUWAXNRJ-NXEZZACHSA-N 1 0 309.218 2.152 10 0 DEAERO CCc1ncc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)s1 ZINC000554936445 291784102 /nfs/dbraw/zinc/78/41/02/291784102.db2.gz QRODCIMKHDZVMR-DOMZBBRYSA-N 1 0 310.463 2.363 10 0 DEAERO COCCc1nnc([C@@H]2CCC[N@H+](Cc3cccs3)C2)[nH]1 ZINC000065286885 184322173 /nfs/dbraw/zinc/32/21/73/184322173.db2.gz ZMLZWPFFAGFUIL-GFCCVEGCSA-N 1 0 306.435 2.435 10 0 DEAERO COc1cccc(OCC(=O)N2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC000065418996 184341458 /nfs/dbraw/zinc/34/14/58/184341458.db2.gz LODGWHGIOIRHLC-UHFFFAOYSA-N 1 0 318.417 2.018 10 0 DEAERO CC[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)C(=O)Nc1cc(C)on1 ZINC000065401542 184337519 /nfs/dbraw/zinc/33/75/19/184337519.db2.gz GMBWRPRDYKEZLV-KGLIPLIRSA-N 1 0 315.373 2.293 10 0 DEAERO CC(=O)N(C)c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000066213120 184397207 /nfs/dbraw/zinc/39/72/07/184397207.db2.gz ZNEVWGHRBQEUMI-UHFFFAOYSA-N 1 0 303.406 2.484 10 0 DEAERO C[C@H](CCO)NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119161797 207355659 /nfs/dbraw/zinc/35/56/59/207355659.db2.gz MEZQKHPSTXCROM-CRAIPNDOSA-N 1 0 319.449 2.111 10 0 DEAERO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCN1CCCC1=O ZINC000184005627 207363667 /nfs/dbraw/zinc/36/36/67/207363667.db2.gz RFXKUMUDAYHASM-MRXNPFEDSA-N 1 0 301.434 2.210 10 0 DEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](C)CCCOC)C(=O)OCC ZINC000068644058 184495818 /nfs/dbraw/zinc/49/58/18/184495818.db2.gz JNWIRLHHWZXBFB-GDBMZVCRSA-N 1 0 302.459 2.055 10 0 DEAERO CC(C)[NH2+][C@](C)(C[C@H](C)n1cc(C(F)(F)F)cn1)C(N)=O ZINC000068650468 184496326 /nfs/dbraw/zinc/49/63/26/184496326.db2.gz SFGYCFRQBWYZHD-JOYOIKCWSA-N 1 0 306.332 2.095 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)Cc1cccc(Br)c1 ZINC000069133142 184499778 /nfs/dbraw/zinc/49/97/78/184499778.db2.gz IFJICARTWWSXTA-QWRGUYRKSA-N 1 0 311.223 2.200 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(Cc2cc(F)ccc2C(N)=S)C1 ZINC000069403247 184512124 /nfs/dbraw/zinc/51/21/24/184512124.db2.gz PCOYRNUMFXCWGP-CQSZACIVSA-N 1 0 309.454 2.376 10 0 DEAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000536831840 284977899 /nfs/dbraw/zinc/97/78/99/284977899.db2.gz ISTOYRDBEQRAIS-BIMULSAOSA-N 1 0 300.196 2.250 10 0 DEAERO CSCC[C@H](C)N(C)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000161554817 197503651 /nfs/dbraw/zinc/50/36/51/197503651.db2.gz NNPKMUPIEQWZFO-NWDGAFQWSA-N 1 0 316.492 2.468 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1c(F)cccc1F ZINC000538126115 285026152 /nfs/dbraw/zinc/02/61/52/285026152.db2.gz UQMBIWNLRSRFMI-YNEHKIRRSA-N 1 0 315.360 2.172 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CCc2nc(C)no2)c2ccccc2C1 ZINC000538713745 285052119 /nfs/dbraw/zinc/05/21/19/285052119.db2.gz IIFRKXAJBWERPP-INIZCTEOSA-N 1 0 314.389 2.004 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000159199125 197334614 /nfs/dbraw/zinc/33/46/14/197334614.db2.gz DNQKAEAXXZHIRX-JTQLQIEISA-N 1 0 316.785 2.050 10 0 DEAERO Fc1c(F)c(F)c(-n2cc(C[NH2+]C3CC3)nn2)c(F)c1F ZINC000159033182 197321273 /nfs/dbraw/zinc/32/12/73/197321273.db2.gz WVKMIBQKIUWSCX-UHFFFAOYSA-N 1 0 304.222 2.215 10 0 DEAERO CCCN(C1CC1)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159063821 197323632 /nfs/dbraw/zinc/32/36/32/197323632.db2.gz JFQNWDZKOZBFDH-UHFFFAOYSA-N 1 0 300.399 2.156 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cn(C)nc1-c1ccccc1 ZINC000540516496 285119481 /nfs/dbraw/zinc/11/94/81/285119481.db2.gz BYIPCSHLLFKDPM-UHFFFAOYSA-N 1 0 300.406 2.111 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc(C)cc1C ZINC000158989323 197317029 /nfs/dbraw/zinc/31/70/29/197317029.db2.gz DZHBFJBOMYOTEO-HUUCEWRRSA-N 1 0 310.463 2.360 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)C1CCOCC1)C1CCCC1 ZINC000158875475 197308362 /nfs/dbraw/zinc/30/83/62/197308362.db2.gz SOTSPPGDDYUHSX-OAHLLOKOSA-N 1 0 303.468 2.139 10 0 DEAERO CN([C@@H](C[NH3+])c1ccccc1OC(F)(F)F)[C@@H]1CCOC1 ZINC000158701384 197294440 /nfs/dbraw/zinc/29/44/40/197294440.db2.gz UZAGVMURDJFZOW-PWSUYJOCSA-N 1 0 304.312 2.306 10 0 DEAERO Cc1cc(C[NH3+])cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c1C ZINC000158765250 197299603 /nfs/dbraw/zinc/29/96/03/197299603.db2.gz ZWTMZIFYIQXWCH-GJZGRUSLSA-N 1 0 308.447 2.183 10 0 DEAERO [NH3+][C@@H](CS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000158741033 197298146 /nfs/dbraw/zinc/29/81/46/197298146.db2.gz UWWHAPMHUOJHQG-KWQFWETISA-N 1 0 324.229 2.131 10 0 DEAERO C[C@@H]1C[C@H](Nc2nc(Cl)nc(N3CCCC3)n2)CC[N@@H+]1C ZINC000158605564 197287452 /nfs/dbraw/zinc/28/74/52/197287452.db2.gz OMPZOUNAKMGZEN-GHMZBOCLSA-N 1 0 310.833 2.020 10 0 DEAERO C[C@@H]1C[C@@H](Nc2nc(Br)cn3ccnc23)CC[N@@H+]1C ZINC000158595599 197286401 /nfs/dbraw/zinc/28/64/01/197286401.db2.gz PQDWDXQEOCGNBS-ZJUUUORDSA-N 1 0 324.226 2.386 10 0 DEAERO S=C1N=NC(c2ccncc2)N1[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158571261 197284282 /nfs/dbraw/zinc/28/42/82/197284282.db2.gz OQZUJYSBPBGROA-OLZOCXBDSA-N 1 0 301.419 2.428 10 0 DEAERO C[C@@H]1[C@@H]([NH3+])C[C@@H]1c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000158561320 197283456 /nfs/dbraw/zinc/28/34/56/197283456.db2.gz DPKKOQSYKNWBOU-UWJYBYFXSA-N 1 0 307.337 2.473 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000158463888 197275264 /nfs/dbraw/zinc/27/52/64/197275264.db2.gz WLKIHRYNGSGRDL-QWHCGFSZSA-N 1 0 300.399 2.025 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Br)cc1)[C@H](O)c1ncccn1 ZINC000158506052 197280011 /nfs/dbraw/zinc/28/00/11/197280011.db2.gz CRWYGKNGIPTXNV-RYUDHWBXSA-N 1 0 308.179 2.015 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000158212303 197253008 /nfs/dbraw/zinc/25/30/08/197253008.db2.gz WCGCVQORYGFMFD-AEGPPILISA-N 1 0 308.447 2.388 10 0 DEAERO COCC[NH2+]Cc1cnc(N2C[C@@H](C)S[C@@H](C)C2)c(C)c1 ZINC000158278053 197258633 /nfs/dbraw/zinc/25/86/33/197258633.db2.gz JISRCAWPMDIGDL-OKILXGFUSA-N 1 0 309.479 2.456 10 0 DEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000158211142 197253590 /nfs/dbraw/zinc/25/35/90/197253590.db2.gz YVJPRQBKMJJHQF-AEGPPILISA-N 1 0 308.447 2.388 10 0 DEAERO CC(C)Cc1ccc([C@@H](O)C[NH2+]C2CCS(=O)CC2)cc1 ZINC000158190967 197251026 /nfs/dbraw/zinc/25/10/26/197251026.db2.gz WZOYPVMHTKWCTH-BATSVXPKSA-N 1 0 309.475 2.419 10 0 DEAERO O[C@H](C[NH2+]CCCn1cccn1)c1cccc(Br)c1 ZINC000158177775 197250350 /nfs/dbraw/zinc/25/03/50/197250350.db2.gz ZCLDBBZSFGTJKQ-CQSZACIVSA-N 1 0 324.222 2.359 10 0 DEAERO O=C(NCc1cscn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000158175556 197250069 /nfs/dbraw/zinc/25/00/69/197250069.db2.gz CIEUMBBUEKBFPC-AWEZNQCLSA-N 1 0 308.451 2.303 10 0 DEAERO C[C@H]1C[C@@H](Nc2nc3c(cc2C(N)=S)CCC3)CC[N@@H+]1C ZINC000158060069 197239757 /nfs/dbraw/zinc/23/97/57/197239757.db2.gz JOIJUUWXZILAMG-JQWIXIFHSA-N 1 0 304.463 2.099 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2ccc3nc(N)sc3c2)CC[N@@H+]1C ZINC000157825991 197219108 /nfs/dbraw/zinc/21/91/08/197219108.db2.gz MQVQJNQEKFVCQO-GXSJLCMTSA-N 1 0 304.419 2.091 10 0 DEAERO Cc1c(C(F)(F)F)cccc1S(=O)(=O)NC[C@H]([NH3+])C1CC1 ZINC000157600797 197200588 /nfs/dbraw/zinc/20/05/88/197200588.db2.gz SQQSRZKYVOPPSL-NSHDSACASA-N 1 0 322.352 2.029 10 0 DEAERO CCC(CC)([C@H](O)c1c(Br)cnn1C)[NH+](C)C ZINC000157649653 197204241 /nfs/dbraw/zinc/20/42/41/197204241.db2.gz CDZPUTBXIRYOHS-LLVKDONJSA-N 1 0 304.232 2.336 10 0 DEAERO CCN[C@](C)(CCC[N@H+](C)CCOC(C)C)C(=O)OCC ZINC000157489515 197191222 /nfs/dbraw/zinc/19/12/22/197191222.db2.gz BXDJRANXOJRGTD-MRXNPFEDSA-N 1 0 302.459 2.055 10 0 DEAERO COCC[C@H](C)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000157250249 197173425 /nfs/dbraw/zinc/17/34/25/197173425.db2.gz QMSILDGYPXXPPY-KKUMJFAQSA-N 1 0 307.438 2.210 10 0 DEAERO Cc1ccc(C[NH2+]C2CC2)cc1S(=O)(=O)N(C)C1CCC1 ZINC000157234509 197171884 /nfs/dbraw/zinc/17/18/84/197171884.db2.gz WMCCRRQEQCHKRE-UHFFFAOYSA-N 1 0 308.447 2.420 10 0 DEAERO CCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000157228930 197171725 /nfs/dbraw/zinc/17/17/25/197171725.db2.gz DICJEOUJVRLBEC-LLVKDONJSA-N 1 0 306.175 2.328 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)Cc2ccc3c(c2)COC3)CC1 ZINC000541730758 285182792 /nfs/dbraw/zinc/18/27/92/285182792.db2.gz UTJHTKCQEKHNGU-UHFFFAOYSA-N 1 0 316.445 2.498 10 0 DEAERO O=C(c1nnc(Cl)s1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000157226402 197171281 /nfs/dbraw/zinc/17/12/81/197171281.db2.gz MUYIPOGMZKJAQQ-UHFFFAOYSA-N 1 0 314.842 2.140 10 0 DEAERO CN(C)c1nc(CN2CC[NH+](C3CCCCC3)CC2)ns1 ZINC000157198074 197169513 /nfs/dbraw/zinc/16/95/13/197169513.db2.gz KHKOBEUNDCAWLS-UHFFFAOYSA-N 1 0 309.483 2.054 10 0 DEAERO C[NH+](C)CCN1CCC(Nc2noc(-c3ccccc3)n2)CC1 ZINC000157044250 197158611 /nfs/dbraw/zinc/15/86/11/197158611.db2.gz DOSJVAQEEAJOIY-UHFFFAOYSA-N 1 0 315.421 2.175 10 0 DEAERO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000156740915 197138041 /nfs/dbraw/zinc/13/80/41/197138041.db2.gz XZTRKNKZYBYQPB-JTQLQIEISA-N 1 0 324.368 2.098 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000156616516 197127457 /nfs/dbraw/zinc/12/74/57/197127457.db2.gz GHWJQTUXZKJACH-HUUCEWRRSA-N 1 0 319.453 2.095 10 0 DEAERO O=C(NCCC[NH2+]C1CCC2(CC1)OCCO2)c1cccs1 ZINC000156569593 197124612 /nfs/dbraw/zinc/12/46/12/197124612.db2.gz NFRBSBTWYBTBED-UHFFFAOYSA-N 1 0 324.446 2.143 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2Br)C1 ZINC000156553251 197122870 /nfs/dbraw/zinc/12/28/70/197122870.db2.gz BUUMKTIZQVTLEX-QMMMGPOBSA-N 1 0 301.159 2.022 10 0 DEAERO O=C1C[C@@H]([NH2+]C[C@H]2CCCCS2)C(=O)N1c1ccccc1 ZINC000156412908 197110851 /nfs/dbraw/zinc/11/08/51/197110851.db2.gz JJAFUSXANNMFAB-ZIAGYGMSSA-N 1 0 304.415 2.194 10 0 DEAERO C[C@H]([NH3+])c1cccc(S(=O)(=O)NC[C@H]2CCCCS2)c1 ZINC000156468871 197115619 /nfs/dbraw/zinc/11/56/19/197115619.db2.gz PVKLESURKRKQIB-WCQYABFASA-N 1 0 314.476 2.270 10 0 DEAERO C[C@H]([NH3+])c1cccc(S(=O)(=O)NC[C@@H]2CCCCS2)c1 ZINC000156468620 197115259 /nfs/dbraw/zinc/11/52/59/197115259.db2.gz PVKLESURKRKQIB-AAEUAGOBSA-N 1 0 314.476 2.270 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000156148635 197089474 /nfs/dbraw/zinc/08/94/74/197089474.db2.gz SOOLDUARFSIPBT-LSDHHAIUSA-N 1 0 315.502 2.305 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2cccc(F)c2Br)C1 ZINC000156015533 197080971 /nfs/dbraw/zinc/08/09/71/197080971.db2.gz IPPZWOSZJQBRND-DTWKUNHWSA-N 1 0 315.186 2.398 10 0 DEAERO CCC[C@H](C[NH3+])NC(=O)c1cccc(F)c1Br ZINC000156001119 197079148 /nfs/dbraw/zinc/07/91/48/197079148.db2.gz GMUBINMDERGCPF-MRVPVSSYSA-N 1 0 303.175 2.445 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)COc1ccc(F)c(Cl)c1 ZINC000155566627 197067924 /nfs/dbraw/zinc/06/79/24/197067924.db2.gz NFKGQAMHNGSZAU-GHMZBOCLSA-N 1 0 314.788 2.409 10 0 DEAERO COc1ccccc1CCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000155542682 197065225 /nfs/dbraw/zinc/06/52/25/197065225.db2.gz WAEPZVRPOMQNBT-ZBFHGGJFSA-N 1 0 304.434 2.473 10 0 DEAERO COc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc(OC)c1C ZINC000155608476 197071454 /nfs/dbraw/zinc/07/14/54/197071454.db2.gz ASTUDWJQULQKPZ-SWLSCSKDSA-N 1 0 320.433 2.471 10 0 DEAERO CCCc1[nH+]c2cc(N)ccc2n1C[C@@H]1CCCS1(=O)=O ZINC000155465292 197057350 /nfs/dbraw/zinc/05/73/50/197057350.db2.gz ISTJWGHCLPYLDN-LBPRGKRZSA-N 1 0 307.419 2.148 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1ccc(OC(F)F)cc1 ZINC000155436829 197055296 /nfs/dbraw/zinc/05/52/96/197055296.db2.gz BEYGMDITGXPATA-RYUDHWBXSA-N 1 0 312.360 2.382 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(-c2ncn(C)n2)cc1)[NH+](C)C ZINC000155098030 197021778 /nfs/dbraw/zinc/02/17/78/197021778.db2.gz GRTDEVPNZFNPKK-AWEZNQCLSA-N 1 0 301.394 2.151 10 0 DEAERO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CSC(=O)N1 ZINC000155008650 197013380 /nfs/dbraw/zinc/01/33/80/197013380.db2.gz ABRKVHDZRFWEIS-AWEZNQCLSA-N 1 0 319.430 2.436 10 0 DEAERO COC[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)C1CCOCC1 ZINC000188304184 285237167 /nfs/dbraw/zinc/23/71/67/285237167.db2.gz NJTIUYGRNDBHLF-HZPDHXFCSA-N 1 0 313.438 2.093 10 0 DEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000153416448 196877132 /nfs/dbraw/zinc/87/71/32/196877132.db2.gz BQCZJKFFDQTMBH-JTQLQIEISA-N 1 0 309.797 2.028 10 0 DEAERO CC[C@@H]1CN(Cc2cccc3[nH]ccc32)CC[N@@H+]1C[C@@H](C)O ZINC000120764480 195232307 /nfs/dbraw/zinc/23/23/07/195232307.db2.gz HEUIZFTUTMCJIY-GDBMZVCRSA-N 1 0 301.434 2.445 10 0 DEAERO C(OC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2CC2CC2)O1)C1CCOCC1 ZINC000247817628 257117019 /nfs/dbraw/zinc/11/70/19/257117019.db2.gz BYOSKJSOQGRECX-BZSNNMDCSA-N 1 0 309.450 2.462 10 0 DEAERO CO[C@@H]1CCN(C(=O)c2ccsc2)[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000247810113 257118004 /nfs/dbraw/zinc/11/80/04/257118004.db2.gz CEBKPKBKZAIUMW-OWCLPIDISA-N 1 0 320.458 2.319 10 0 DEAERO O=C(NC[C@@H]1OC[C@H]2CC[N@H+](Cc3ccsc3)C[C@@H]12)C1CC1 ZINC000247447239 257119695 /nfs/dbraw/zinc/11/96/95/257119695.db2.gz YWCKEDWJJQVKRI-OAGGEKHMSA-N 1 0 320.458 2.111 10 0 DEAERO c1cncc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC2CCOCC2)c1 ZINC000253480524 257105234 /nfs/dbraw/zinc/10/52/34/257105234.db2.gz XLOASLPSTOEVDP-ZWKOTPCHSA-N 1 0 301.434 2.157 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2nc3ccccc3[nH]2)C[C@@H]1CC ZINC000121006261 195279382 /nfs/dbraw/zinc/27/93/82/195279382.db2.gz JGQQMABAZNAPJF-HNNXBMFYSA-N 1 0 316.449 2.496 10 0 DEAERO COc1ccccc1C1(CNC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000544661361 285366007 /nfs/dbraw/zinc/36/60/07/285366007.db2.gz PKHGJRCIFMITRX-UHFFFAOYSA-N 1 0 319.449 2.320 10 0 DEAERO Cc1nc(-c2ccc(Br)cn2)nc(C)c1CC[NH3+] ZINC000122049621 195394485 /nfs/dbraw/zinc/39/44/85/195394485.db2.gz FLUUGJWZJLEZGL-UHFFFAOYSA-N 1 0 307.195 2.419 10 0 DEAERO CC[C@@]1(C)N[C@@H](c2ccsc2)N(CC[NH+]2CCCC2)C1=O ZINC000123381171 195575054 /nfs/dbraw/zinc/57/50/54/195575054.db2.gz ABZABRTVFYUBOU-GDBMZVCRSA-N 1 0 307.463 2.443 10 0 DEAERO CC[NH2+]C[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000124731023 195673535 /nfs/dbraw/zinc/67/35/35/195673535.db2.gz MAAKGVQJQRFEQR-KBPBESRZSA-N 1 0 304.500 2.320 10 0 DEAERO NC(=O)c1ccc(Br)cc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000124479447 195646487 /nfs/dbraw/zinc/64/64/87/195646487.db2.gz DHANEOXPHOWZFM-MNOVXSKESA-N 1 0 312.211 2.230 10 0 DEAERO COCCOCCOCCO[C@H](c1ccc(C)s1)[C@H](C)[NH3+] ZINC000124798938 195680632 /nfs/dbraw/zinc/68/06/32/195680632.db2.gz MZXDVJCSWBLWFR-ZFWWWQNUSA-N 1 0 317.451 2.141 10 0 DEAERO CN(Cc1cscn1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125121766 195713649 /nfs/dbraw/zinc/71/36/49/195713649.db2.gz IKNQZLRWVBHQAX-UHFFFAOYSA-N 1 0 310.467 2.405 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)CCC(=O)N3)CC[N@@H+]1C ZINC000127462529 195879603 /nfs/dbraw/zinc/87/96/03/195879603.db2.gz JUXAOEFXOFQNDV-WFASDCNBSA-N 1 0 315.417 2.126 10 0 DEAERO COC[C@@H](C)C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000189825071 335063688 /nfs/dbraw/zinc/06/36/88/335063688.db2.gz SWHHLNAZELPHOR-INIZCTEOSA-N 1 0 305.466 2.303 10 0 DEAERO COC[C@@](C)(O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000545199441 285398199 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c1ccc(N2CCC[N@@H+](CCO[C@H]3CCCCO3)CC2)nc1 ZINC000248830428 145169579 /nfs/dbraw/zinc/16/95/79/145169579.db2.gz LQORRWJKKRBHAF-KRWDZBQOSA-N 1 0 305.422 2.137 10 0 DEAERO Cc1ccc(N2CCC[N@H+](C[C@@H](O)CC3CCCC3)CC2)nn1 ZINC000248904380 145172640 /nfs/dbraw/zinc/17/26/40/145172640.db2.gz LMXWBBIPIPJJOM-KRWDZBQOSA-N 1 0 318.465 2.238 10 0 DEAERO O=C1O[C@@H](C[N@@H+]2CCCN(c3nccs3)CC2)CC12CCC2 ZINC000248901662 145173001 /nfs/dbraw/zinc/17/30/01/145173001.db2.gz VMGBSIQSJAVTDK-CYBMUJFWSA-N 1 0 321.446 2.141 10 0 DEAERO COc1ccnc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1OC ZINC000248977480 145174509 /nfs/dbraw/zinc/17/45/09/145174509.db2.gz DSOFGCRJOSQVIF-DZGCQCFKSA-N 1 0 305.422 2.015 10 0 DEAERO CSC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000248968860 145174583 /nfs/dbraw/zinc/17/45/83/145174583.db2.gz ROGCIVWGIZSVOO-DZGCQCFKSA-N 1 0 319.474 2.304 10 0 DEAERO C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@@H](O)C1CCCCC1 ZINC000249107064 145178695 /nfs/dbraw/zinc/17/86/95/145178695.db2.gz QMSMMPFKJRQJOK-RTBURBONSA-N 1 0 321.461 2.437 10 0 DEAERO FC(F)(F)C(F)(F)COCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000249296895 145182514 /nfs/dbraw/zinc/18/25/14/145182514.db2.gz NBUHBSQOEDKYPH-LLVKDONJSA-N 1 0 316.314 2.371 10 0 DEAERO CN1c2ccc(CN3CC[N@@H+]4CCCC[C@H]4C3)cc2CCC1=O ZINC000249466531 145185044 /nfs/dbraw/zinc/18/50/44/145185044.db2.gz SLLBOCSMAICSGE-KRWDZBQOSA-N 1 0 313.445 2.266 10 0 DEAERO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)C1 ZINC000249875525 145191348 /nfs/dbraw/zinc/19/13/48/145191348.db2.gz LMTWNEASGQDDEO-HOTGVXAUSA-N 1 0 316.449 2.074 10 0 DEAERO C[C@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000252734103 145199953 /nfs/dbraw/zinc/19/99/53/145199953.db2.gz SIGOMSCWPBBEKQ-WMLDXEAASA-N 1 0 320.408 2.051 10 0 DEAERO C/C=C\c1ccc(OCC(=O)N2CC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000255625374 145204420 /nfs/dbraw/zinc/20/44/20/145204420.db2.gz WPISYVFWEHUHFL-YVACAVLKSA-N 1 0 318.417 2.270 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000261596917 145209197 /nfs/dbraw/zinc/20/91/97/145209197.db2.gz XMIXQQPLCYNYMD-GFCCVEGCSA-N 1 0 302.415 2.094 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1nc(C(C)(C)C)cs1 ZINC000261610413 145209619 /nfs/dbraw/zinc/20/96/19/145209619.db2.gz BFKQGCCQCWYFRJ-MXWKQRLJSA-N 1 0 311.451 2.124 10 0 DEAERO CC(C)(C)NC(=O)CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261611268 145210268 /nfs/dbraw/zinc/21/02/68/145210268.db2.gz CDANKCJZMSJPFO-CQSZACIVSA-N 1 0 309.841 2.201 10 0 DEAERO CSc1cc2c(cc1CN1CC[C@@](C)(C[NH3+])C1)OCCO2 ZINC000261612642 145210468 /nfs/dbraw/zinc/21/04/68/145210468.db2.gz BJPGXLUWLXYCES-INIZCTEOSA-N 1 0 308.447 2.350 10 0 DEAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000261626146 145211599 /nfs/dbraw/zinc/21/15/99/145211599.db2.gz COGZLPYIMPJXOD-HNNXBMFYSA-N 1 0 313.405 2.043 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261630674 145212118 /nfs/dbraw/zinc/21/21/18/145212118.db2.gz CXBNIVAUAZDRFS-LRDDRELGSA-N 1 0 317.433 2.275 10 0 DEAERO O=C(N1CC[C@H]2C[NH2+]C[C@H]2CC1)C(F)(F)c1ccc(F)cc1 ZINC000261644902 145212954 /nfs/dbraw/zinc/21/29/54/145212954.db2.gz AZHSNOCXKHQGJH-TXEJJXNPSA-N 1 0 312.335 2.376 10 0 DEAERO [NH3+][C@@H](C(=O)N1CC2(CCC2)c2c1cccc2F)C1CCOCC1 ZINC000261644965 145213085 /nfs/dbraw/zinc/21/30/85/145213085.db2.gz DSBMOYYYPHIYIV-MRXNPFEDSA-N 1 0 318.392 2.348 10 0 DEAERO CN(CC(=O)N1CCC[C@H]2CCCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261653235 145213906 /nfs/dbraw/zinc/21/39/06/145213906.db2.gz FOLMOYHRCPMHKL-FNNOIMFVSA-N 1 0 319.493 2.382 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1cc(F)ccc1F ZINC000261649232 145213979 /nfs/dbraw/zinc/21/39/79/145213979.db2.gz FPZRADJOHIRLQE-DXCKQFNASA-N 1 0 324.371 2.114 10 0 DEAERO COc1ccc(OCCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261668663 145215090 /nfs/dbraw/zinc/21/50/90/145215090.db2.gz ACJGFAXKTTVFFT-OAHLLOKOSA-N 1 0 306.406 2.050 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000261754739 145222577 /nfs/dbraw/zinc/22/25/77/145222577.db2.gz NAPQUOIPKAXLBW-IOASZLSFSA-N 1 0 324.371 2.240 10 0 DEAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cncc(F)c1 ZINC000261767621 145224139 /nfs/dbraw/zinc/22/41/39/145224139.db2.gz RVKXDINFLBBLPV-INIZCTEOSA-N 1 0 301.365 2.376 10 0 DEAERO CC1(C)CN(C(=O)c2cnc(-c3ccncc3)s2)CC[C@H]1[NH3+] ZINC000261774465 145224988 /nfs/dbraw/zinc/22/49/88/145224988.db2.gz FVAPKIVYAULEFU-CYBMUJFWSA-N 1 0 316.430 2.405 10 0 DEAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(F)c(Cl)c1 ZINC000261775133 145225006 /nfs/dbraw/zinc/22/50/06/145225006.db2.gz GZODAFNVFXTCEF-VIFPVBQESA-N 1 0 300.761 2.164 10 0 DEAERO CC(=O)c1ccc(N2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)c(F)c1 ZINC000261778797 145226057 /nfs/dbraw/zinc/22/60/57/145226057.db2.gz NSIYLLFEDGBIPZ-SFHVURJKSA-N 1 0 319.424 2.150 10 0 DEAERO CN(Cc1nc(Cc2ccccc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261810668 145229160 /nfs/dbraw/zinc/22/91/60/145229160.db2.gz VSCYGDRISGLOAG-XYPWUTKMSA-N 1 0 312.417 2.375 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261819274 145230331 /nfs/dbraw/zinc/23/03/31/145230331.db2.gz IFTYADLNZWZPMC-YPMHNXCESA-N 1 0 305.447 2.159 10 0 DEAERO CN(Cc1c(Cl)cccc1Cl)C(=O)C1([NH3+])CCOCC1 ZINC000261829262 145231130 /nfs/dbraw/zinc/23/11/30/145231130.db2.gz KSFJYBYTBWPXKL-UHFFFAOYSA-N 1 0 317.216 2.460 10 0 DEAERO CCOc1ccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261838232 145232438 /nfs/dbraw/zinc/23/24/38/145232438.db2.gz LKPDVHVTBAYLBP-OAHLLOKOSA-N 1 0 306.406 2.293 10 0 DEAERO Cc1ccc(-c2noc([C@@H](C)NC(=O)C[C@@H](C)[NH3+])n2)cc1F ZINC000261845319 145233144 /nfs/dbraw/zinc/23/31/44/145233144.db2.gz LROCRJOBZBXQID-NXEZZACHSA-N 1 0 306.341 2.099 10 0 DEAERO c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261850004 145233267 /nfs/dbraw/zinc/23/32/67/145233267.db2.gz BEHIABKIEGJSRS-KSZLIROESA-N 1 0 311.429 2.482 10 0 DEAERO Cc1ccc(NC(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)c(C)c1 ZINC000261854865 145233652 /nfs/dbraw/zinc/23/36/52/145233652.db2.gz VWDOUYHWLHOEPX-GOSISDBHSA-N 1 0 324.428 2.283 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261868054 145235535 /nfs/dbraw/zinc/23/55/35/145235535.db2.gz SAZVAMIIFCEMBQ-CJNGLKHVSA-N 1 0 320.481 2.284 10 0 DEAERO CCN(CC(=O)Nc1c(F)cccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261870693 145236032 /nfs/dbraw/zinc/23/60/32/145236032.db2.gz OTKUGSFZEYQDOI-MRXNPFEDSA-N 1 0 311.376 2.225 10 0 DEAERO CC[C@H](C)C(=O)N1CSC[C@@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000261883229 145236885 /nfs/dbraw/zinc/23/68/85/145236885.db2.gz WRFGWEGCUXYDGV-VHSXEESVSA-N 1 0 310.423 2.028 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CSCc1cccnc1 ZINC000261881543 145237010 /nfs/dbraw/zinc/23/70/10/145237010.db2.gz PJQBAQQPFZRREK-KWOWKCNFSA-N 1 0 319.474 2.337 10 0 DEAERO [NH3+][C@@H](C(=O)NCc1csc2ccccc12)C1CCOCC1 ZINC000261909944 145240292 /nfs/dbraw/zinc/24/02/92/145240292.db2.gz XKGAJHFLNPRICN-OAHLLOKOSA-N 1 0 304.415 2.271 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncnc2c1cnn2-c1ccccc1 ZINC000261916853 145241580 /nfs/dbraw/zinc/24/15/80/145241580.db2.gz RANCWMVCBQLVKJ-DOMZBBRYSA-N 1 0 308.389 2.368 10 0 DEAERO [NH3+]C1(C(=O)NCC2(c3ccccc3)CCCC2)CCOCC1 ZINC000261916476 145241895 /nfs/dbraw/zinc/24/18/95/145241895.db2.gz UMMVPNMZPPMAIJ-UHFFFAOYSA-N 1 0 302.418 2.123 10 0 DEAERO CCOC(=O)[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)Cc2ccccc21 ZINC000261952013 145246525 /nfs/dbraw/zinc/24/65/25/145246525.db2.gz GCESDWGJIYXYEM-SJLPKXTDSA-N 1 0 302.418 2.149 10 0 DEAERO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261952779 145246621 /nfs/dbraw/zinc/24/66/21/145246621.db2.gz QBCHROAFFFNZHD-CABCVRRESA-N 1 0 300.402 2.243 10 0 DEAERO Cc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261974401 145248501 /nfs/dbraw/zinc/24/85/01/145248501.db2.gz QZFNQEPUPVPZLX-KZNAEPCWSA-N 1 0 304.434 2.121 10 0 DEAERO COC(=O)c1nc([C@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)sc1C ZINC000261989303 145251545 /nfs/dbraw/zinc/25/15/45/145251545.db2.gz KCUFZGUCCKJNMC-WBMJQRKESA-N 1 0 323.462 2.375 10 0 DEAERO CCN(C(C)=O)c1nc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000262021518 145253933 /nfs/dbraw/zinc/25/39/33/145253933.db2.gz XPKCLZQIXWSQFZ-NNQSOWQGSA-N 1 0 322.478 2.231 10 0 DEAERO C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262036577 145255183 /nfs/dbraw/zinc/25/51/83/145255183.db2.gz FSIWQEQTIQFQAK-MUQADHOPSA-N 1 0 308.466 2.478 10 0 DEAERO C[C@@H](C[C@@H]1COCC[NH2+]1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000262101504 145261705 /nfs/dbraw/zinc/26/17/05/145261705.db2.gz IUQPGCCULMRHDF-BLLLJJGKSA-N 1 0 303.406 2.214 10 0 DEAERO Fc1ccccc1OCCN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262117976 145263273 /nfs/dbraw/zinc/26/32/73/145263273.db2.gz BSUVJVNSUVXRPY-INIZCTEOSA-N 1 0 301.365 2.246 10 0 DEAERO C[C@H]1CCC[C@H](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262142335 145265336 /nfs/dbraw/zinc/26/53/36/145265336.db2.gz HFXJESTXZBFKAS-ABFRBSLYSA-N 1 0 318.465 2.056 10 0 DEAERO CC(C)Oc1ccc(CNC(=O)C2C[NH2+]C2)c(C(F)(F)F)c1 ZINC000262227967 145270386 /nfs/dbraw/zinc/27/03/86/145270386.db2.gz LSCYYJCFSAIMHB-UHFFFAOYSA-N 1 0 316.323 2.328 10 0 DEAERO C[C@H](C(=O)NCc1ccc(CO)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000262305630 145275117 /nfs/dbraw/zinc/27/51/17/145275117.db2.gz OPMCOXCQVYIASF-YVEFUNNKSA-N 1 0 316.376 2.270 10 0 DEAERO C[C@@H](C(=O)N1CCCc2cc(OC(F)F)ccc21)C1C[NH2+]C1 ZINC000262317232 145275903 /nfs/dbraw/zinc/27/59/03/145275903.db2.gz CKGZNXJOAQLXAS-SNVBAGLBSA-N 1 0 310.344 2.423 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(OCC(F)(F)F)cc2)CCOCC1 ZINC000262367071 145279293 /nfs/dbraw/zinc/27/92/93/145279293.db2.gz XFARRUCKADZJKV-UHFFFAOYSA-N 1 0 318.295 2.074 10 0 DEAERO Cc1cccc(N(C)C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000262412806 145281817 /nfs/dbraw/zinc/28/18/17/145281817.db2.gz DHKLPTNHSQISPW-IIDMSEBBSA-N 1 0 302.418 2.490 10 0 DEAERO O=S(=O)(c1cccc2ccccc21)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000262433837 145283201 /nfs/dbraw/zinc/28/32/01/145283201.db2.gz GBZYIDCJRBTOAV-ZBFHGGJFSA-N 1 0 316.426 2.212 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc(F)cc1F ZINC000262498274 145287941 /nfs/dbraw/zinc/28/79/41/145287941.db2.gz LSHAECINLLVCCZ-WNMQOVRZSA-N 1 0 310.344 2.436 10 0 DEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(-c2nnc(C)n2C)c1 ZINC000262509870 145288766 /nfs/dbraw/zinc/28/87/66/145288766.db2.gz AYOQKCBTAKKJHP-YGRLFVJLSA-N 1 0 301.394 2.102 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000262541832 145291630 /nfs/dbraw/zinc/29/16/30/145291630.db2.gz VWDUSPDHMYMFDV-AWEZNQCLSA-N 1 0 318.417 2.246 10 0 DEAERO Cc1ccccc1C1(CNC(=O)[C@H](C)C2C[NH2+]C2)CCOCC1 ZINC000262555362 145292936 /nfs/dbraw/zinc/29/29/36/145292936.db2.gz PIWHVYHEWLKPET-OAHLLOKOSA-N 1 0 316.445 2.015 10 0 DEAERO CCOc1ccc(NC(=O)CN2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000262566874 145293647 /nfs/dbraw/zinc/29/36/47/145293647.db2.gz WWLGOPORITVKLU-HNNXBMFYSA-N 1 0 305.422 2.083 10 0 DEAERO C[NH2+]C1CCN(C(=O)CCC(=O)c2ccc(F)c(F)c2)CC1 ZINC000262572483 145294457 /nfs/dbraw/zinc/29/44/57/145294457.db2.gz GFGNGEANGSTFLT-UHFFFAOYSA-N 1 0 310.344 2.138 10 0 DEAERO COC(=O)c1ccc(OC(C)C)c(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262584546 145295225 /nfs/dbraw/zinc/29/52/25/145295225.db2.gz VDOYTOPHYZWOFL-LLVKDONJSA-N 1 0 320.389 2.054 10 0 DEAERO [NH3+]C1(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CCCCC1 ZINC000262644094 145297851 /nfs/dbraw/zinc/29/78/51/145297851.db2.gz MVFLEVGXDYCYRC-GFCCVEGCSA-N 1 0 323.387 2.321 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[NH2+][C@@H](C)[C@H]3C)nc21 ZINC000262772908 145304031 /nfs/dbraw/zinc/30/40/31/145304031.db2.gz LNIIDQFUSGBRBZ-QWHCGFSZSA-N 1 0 300.406 2.013 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(Cl)cc1F ZINC000262763242 145304375 /nfs/dbraw/zinc/30/43/75/145304375.db2.gz GNPORYCHMRLEEL-UWVGGRQHSA-N 1 0 320.817 2.206 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(Cl)cc1F ZINC000262787405 145304845 /nfs/dbraw/zinc/30/48/45/145304845.db2.gz QRIYRDBKKLOHQM-SKDRFNHKSA-N 1 0 320.817 2.064 10 0 DEAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(F)c(-c2cccs2)c1 ZINC000263194734 145335055 /nfs/dbraw/zinc/33/50/55/145335055.db2.gz IHQNHGLAHWGLKI-IUODEOHRSA-N 1 0 306.406 2.224 10 0 DEAERO CCOc1ccc(/C=C/c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263213557 145336470 /nfs/dbraw/zinc/33/64/70/145336470.db2.gz KNFYCTADOHXIRR-PPYMECGQSA-N 1 0 314.389 2.215 10 0 DEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCOc1ccc(F)cc1F ZINC000263216947 145337175 /nfs/dbraw/zinc/33/71/75/145337175.db2.gz LADNMTHTZJYJPS-WBMJQRKESA-N 1 0 312.360 2.367 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@@]23CCc2ccccc23)n1 ZINC000263221640 145337993 /nfs/dbraw/zinc/33/79/93/145337993.db2.gz LXSXRUDPQYCDAJ-IIDMSEBBSA-N 1 0 310.401 2.017 10 0 DEAERO C[C@@H](O)C[N@H+](CCO)CCOc1c(Cl)cccc1Cl ZINC000311464563 145354232 /nfs/dbraw/zinc/35/42/32/145354232.db2.gz WRWFDZQIKYUCMD-SNVBAGLBSA-N 1 0 308.205 2.047 10 0 DEAERO C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000332798498 145388498 /nfs/dbraw/zinc/38/84/98/145388498.db2.gz NSGSWJGBSAZQCT-YQQAZPJKSA-N 1 0 324.465 2.094 10 0 DEAERO Cc1nc(CC2CC2)oc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000346289831 146055428 /nfs/dbraw/zinc/05/54/28/146055428.db2.gz HAHRRKPEJYDYQH-KRWDZBQOSA-N 1 0 303.406 2.103 10 0 DEAERO O=C1NCCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000348101979 146216560 /nfs/dbraw/zinc/21/65/60/146216560.db2.gz KDEVGAJFOWVILD-FBVQUNGASA-N 1 0 313.445 2.050 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccnc(OC(F)F)c1 ZINC000356985309 147015925 /nfs/dbraw/zinc/01/59/25/147015925.db2.gz NVYJEJUMYFUGSF-PHIMTYICSA-N 1 0 313.348 2.172 10 0 DEAERO COC(=O)CC1(CC(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)CCCC1 ZINC000358710629 147187048 /nfs/dbraw/zinc/18/70/48/147187048.db2.gz GDDRVYYHLBPBHO-KBPBESRZSA-N 1 0 310.438 2.051 10 0 DEAERO Cc1cc(C[C@@H](C)NC(=O)NCC(C)(C)C[NH+]2CCCC2)[nH]n1 ZINC000358756729 147198058 /nfs/dbraw/zinc/19/80/58/147198058.db2.gz VQUKMHUOBGIFTE-CYBMUJFWSA-N 1 0 321.469 2.070 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)cc1 ZINC000358787052 147205395 /nfs/dbraw/zinc/20/53/95/147205395.db2.gz CULVFPAOJMAIKY-WDEREUQCSA-N 1 0 300.362 2.290 10 0 DEAERO COCCOC[C@H](C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000359341688 147310623 /nfs/dbraw/zinc/31/06/23/147310623.db2.gz FBOWHAYRKDEUEP-HNNXBMFYSA-N 1 0 320.433 2.064 10 0 DEAERO NC(=O)[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000359440189 147327309 /nfs/dbraw/zinc/32/73/09/147327309.db2.gz OWGKZILGRMXLKA-WMLDXEAASA-N 1 0 312.369 2.033 10 0 DEAERO COC(=O)[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000360335286 147357856 /nfs/dbraw/zinc/35/78/56/147357856.db2.gz GIXLIQOUVHXUSF-BMGDILEWSA-N 1 0 316.445 2.438 10 0 DEAERO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C1CCC(F)(F)CC1 ZINC000360738121 147376203 /nfs/dbraw/zinc/37/62/03/147376203.db2.gz ZAMBNTSGPIIJMI-AWEZNQCLSA-N 1 0 316.392 2.181 10 0 DEAERO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193847200 292167928 /nfs/dbraw/zinc/16/79/28/292167928.db2.gz MLACEKLCXCNXDH-JKSUJKDBSA-N 1 0 315.417 2.337 10 0 DEAERO Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000247985994 292168205 /nfs/dbraw/zinc/16/82/05/292168205.db2.gz IUNRXFXFYKHBFA-YQVWRLOYSA-N 1 0 319.445 2.362 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000367685595 147782573 /nfs/dbraw/zinc/78/25/73/147782573.db2.gz HMMAKVRKXSHBFV-YYFQZIEXSA-N 1 0 310.438 2.114 10 0 DEAERO C[C@@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCCCO1 ZINC000369856378 147957384 /nfs/dbraw/zinc/95/73/84/147957384.db2.gz NCFVBVCKCNYMDS-LMPOIIKSSA-N 1 0 309.454 2.260 10 0 DEAERO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000370306280 148004676 /nfs/dbraw/zinc/00/46/76/148004676.db2.gz UUWTYWHHSVCRTN-GJZGRUSLSA-N 1 0 318.465 2.314 10 0 DEAERO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000370306279 148005130 /nfs/dbraw/zinc/00/51/30/148005130.db2.gz UUWTYWHHSVCRTN-CABCVRRESA-N 1 0 318.465 2.314 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ncc(C2CC2)o1 ZINC000371183324 148070301 /nfs/dbraw/zinc/07/03/01/148070301.db2.gz ILMCHQUWDCYFLP-KFWWJZLASA-N 1 0 305.422 2.236 10 0 DEAERO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000372113599 148171170 /nfs/dbraw/zinc/17/11/70/148171170.db2.gz SUJSETSQDPOHGI-WCQYABFASA-N 1 0 324.446 2.187 10 0 DEAERO O=C(C[N@@H+]1CCCC12CCC2)Nc1ccc2c(c1)OCCO2 ZINC000373103922 148211534 /nfs/dbraw/zinc/21/15/34/148211534.db2.gz KIISASHLCRANOM-UHFFFAOYSA-N 1 0 302.374 2.415 10 0 DEAERO F[C@H]1C[C@@H](CNc2cc[nH+]c3ccccc23)N(c2cccnn2)C1 ZINC000374543189 148259913 /nfs/dbraw/zinc/25/99/13/148259913.db2.gz JOKGIGDZACUCNV-KBPBESRZSA-N 1 0 323.375 2.476 10 0 DEAERO O=C(CC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)NC1CCCC1 ZINC000375446574 148373809 /nfs/dbraw/zinc/37/38/09/148373809.db2.gz XOQKAMYPUGAQBX-ZDUSSCGKSA-N 1 0 318.421 2.185 10 0 DEAERO Cc1noc([C@H]2C[C@@H](O)CN2CCCCC2CCOCC2)n1 ZINC000375613583 148391046 /nfs/dbraw/zinc/39/10/46/148391046.db2.gz ODSNBJKSLNQCBP-HUUCEWRRSA-N 1 0 309.410 2.083 10 0 DEAERO Cc1cnc2cc(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)ccn12 ZINC000565959675 292194344 /nfs/dbraw/zinc/19/43/44/292194344.db2.gz QKUIFDMFGUYMCQ-MRXNPFEDSA-N 1 0 312.417 2.389 10 0 DEAERO CCOCCOCC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000123523618 286101578 /nfs/dbraw/zinc/10/15/78/286101578.db2.gz HSQSMADEUBNBTD-INIZCTEOSA-N 1 0 318.417 2.051 10 0 DEAERO COC[C@H](C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112186868 401732387 /nfs/dbraw/zinc/73/23/87/401732387.db2.gz OXYUFJSYXJLRFO-AWEZNQCLSA-N 1 0 314.495 2.137 10 0 DEAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SCC(N)=O)C(C)(C)C ZINC000074316993 401735187 /nfs/dbraw/zinc/73/51/87/401735187.db2.gz IAZCHAPJWJYCES-LLVKDONJSA-N 1 0 323.462 2.227 10 0 DEAERO C[C@H]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112279709 401735766 /nfs/dbraw/zinc/73/57/66/401735766.db2.gz RZILGCKUDOALLI-HNNXBMFYSA-N 1 0 316.449 2.096 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000112560985 401749458 /nfs/dbraw/zinc/74/94/58/401749458.db2.gz ZQQMBXITSFUUAL-DGCLKSJQSA-N 1 0 306.381 2.401 10 0 DEAERO C[N@H+](CCNC(=O)[C@H]1CCCN1c1nccs1)C1CCCC1 ZINC000110719020 401693486 /nfs/dbraw/zinc/69/34/86/401693486.db2.gz NDIHVTKSVHHVEI-CQSZACIVSA-N 1 0 322.478 2.103 10 0 DEAERO CC(C)CNC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000072076495 401702865 /nfs/dbraw/zinc/70/28/65/401702865.db2.gz MGLWMURGMOFKTG-UHFFFAOYSA-N 1 0 304.438 2.044 10 0 DEAERO CC(C)[C@](O)(C(=O)OCC1=CC[N@H+](C)CC1)c1ccccc1 ZINC000002009043 401711774 /nfs/dbraw/zinc/71/17/74/401711774.db2.gz VZCBERXKHILZBM-GOSISDBHSA-N 1 0 303.402 2.335 10 0 DEAERO C[NH+](C)CC[C@H](NC(=O)c1cnn2c1CCCC2)C(C)(C)C ZINC000126941605 401714555 /nfs/dbraw/zinc/71/45/55/401714555.db2.gz JLTPPVQRVLCSLF-HNNXBMFYSA-N 1 0 306.454 2.316 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1COc2ccccc21 ZINC000111481523 401716783 /nfs/dbraw/zinc/71/67/83/401716783.db2.gz OYYHUGHORQMIBO-DZGCQCFKSA-N 1 0 303.406 2.294 10 0 DEAERO CCC(CC)[C@H](O)CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000111655457 401719562 /nfs/dbraw/zinc/71/95/62/401719562.db2.gz QOTXGYCJKGQVSY-MRXNPFEDSA-N 1 0 322.449 2.154 10 0 DEAERO CC(C)C[C@H](CNC(=O)[C@H]1CCCN1c1nccs1)[NH+](C)C ZINC000114376566 401797627 /nfs/dbraw/zinc/79/76/27/401797627.db2.gz WSRJDCFERSKARR-ZIAGYGMSSA-N 1 0 324.494 2.204 10 0 DEAERO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114493972 401802460 /nfs/dbraw/zinc/80/24/60/401802460.db2.gz NPMPMWKOXITLPO-GUYCJALGSA-N 1 0 305.422 2.185 10 0 DEAERO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc2ccccc21 ZINC000114636018 401804440 /nfs/dbraw/zinc/80/44/40/401804440.db2.gz YHBBASFRYKDPRV-HUUCEWRRSA-N 1 0 304.415 2.388 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccc(F)c(F)c1 ZINC000008247149 401750555 /nfs/dbraw/zinc/75/05/55/401750555.db2.gz VGLBAGGSZZURNL-VIFPVBQESA-N 1 0 313.348 2.240 10 0 DEAERO CC1(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)COC1 ZINC000112693831 401753929 /nfs/dbraw/zinc/75/39/29/401753929.db2.gz LVSZHFPJCVMQMS-OAHLLOKOSA-N 1 0 320.408 2.190 10 0 DEAERO COc1ccccc1NCC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000112869227 401760230 /nfs/dbraw/zinc/76/02/30/401760230.db2.gz HWDQPFSUTYWRCM-AWEZNQCLSA-N 1 0 305.422 2.098 10 0 DEAERO O=C(CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1)N1CCCCC1 ZINC000128074839 401761751 /nfs/dbraw/zinc/76/17/51/401761751.db2.gz VUUYQLSLKGNOOA-HZPDHXFCSA-N 1 0 304.438 2.359 10 0 DEAERO COC[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000112939397 401762210 /nfs/dbraw/zinc/76/22/10/401762210.db2.gz SXAJBDKODVWXNC-IAGOWNOFSA-N 1 0 304.434 2.044 10 0 DEAERO Cc1cccc(N2CCC([NH2+][C@@H]3CCN(C)[C@H](C)C3)CC2)n1 ZINC000128082005 401762336 /nfs/dbraw/zinc/76/23/36/401762336.db2.gz NZFFQFCIHUSDLO-NVXWUHKLSA-N 1 0 302.466 2.431 10 0 DEAERO CSc1ccc(OCC[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000075714595 401766654 /nfs/dbraw/zinc/76/66/54/401766654.db2.gz QIGQLLHVXSZQES-CHWSQXEVSA-N 1 0 308.447 2.373 10 0 DEAERO CCC[C@@H]1CN(C(=O)[C@@H](C)c2cccnc2)CC[N@@H+]1CCOC ZINC000128278025 401770052 /nfs/dbraw/zinc/77/00/52/401770052.db2.gz GRUKLNAQQQFVOL-DOTOQJQBSA-N 1 0 319.449 2.144 10 0 DEAERO CC[S@@](=O)c1ccccc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113225126 401770660 /nfs/dbraw/zinc/77/06/60/401770660.db2.gz IFBOKQXTFLURDG-VVYDWRJNSA-N 1 0 320.458 2.123 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000113224291 401770859 /nfs/dbraw/zinc/77/08/59/401770859.db2.gz MJEJCBBFRSLERQ-VXGBXAGGSA-N 1 0 316.430 2.447 10 0 DEAERO COC(=O)Nc1ccccc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113231346 401771669 /nfs/dbraw/zinc/77/16/69/401771669.db2.gz AJWXBTWPTSTWNQ-CHWSQXEVSA-N 1 0 317.389 2.174 10 0 DEAERO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)NCc1cccs1 ZINC000128357024 401772865 /nfs/dbraw/zinc/77/28/65/401772865.db2.gz FLVIBDCMXXELSA-GJZGRUSLSA-N 1 0 318.446 2.334 10 0 DEAERO CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000114803060 401810590 /nfs/dbraw/zinc/81/05/90/401810590.db2.gz IAFVYYZJLFVWCD-HOTGVXAUSA-N 1 0 322.453 2.339 10 0 DEAERO CN1C[C@@H]2C[C@@H](c3cccn3-c3ccccn3)[N@@H+]3CCC[C@@]23C1=O ZINC000012305969 401783145 /nfs/dbraw/zinc/78/31/45/401783145.db2.gz OAFQOAQWHGYQKY-QOKNQOGYSA-N 1 0 322.412 2.240 10 0 DEAERO Cc1ccccc1OCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113600037 401783457 /nfs/dbraw/zinc/78/34/57/401783457.db2.gz ZNJUMWFZTWVHBJ-HOTGVXAUSA-N 1 0 317.433 2.252 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000128661962 401787186 /nfs/dbraw/zinc/78/71/86/401787186.db2.gz GBKXJMLLIKGZQD-MSQAHXEGSA-N 1 0 315.417 2.281 10 0 DEAERO C[C@H](CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000076299793 401789927 /nfs/dbraw/zinc/78/99/27/401789927.db2.gz LAJOVNYKZAADKO-VYDXJSESSA-N 1 0 304.434 2.406 10 0 DEAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](CC(=O)N(C)C3CC3)C2)cc1 ZINC000076389120 401793571 /nfs/dbraw/zinc/79/35/71/401793571.db2.gz IYOGAYVDXBVBHC-HIFRSBDPSA-N 1 0 302.418 2.494 10 0 DEAERO C[C@@H](CO)[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000077757257 401829158 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COCCN(CC[NH+](C)C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000116752796 401858099 /nfs/dbraw/zinc/85/80/99/401858099.db2.gz BLPWBJUIFKOBCY-UHFFFAOYSA-N 1 0 321.396 2.266 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2csc3ccccc23)CCO1 ZINC000116789936 401859335 /nfs/dbraw/zinc/85/93/35/401859335.db2.gz KTBDIBWOEQVXKX-GFCCVEGCSA-N 1 0 304.415 2.304 10 0 DEAERO C[C@@H]1CCc2sc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc2C1 ZINC000116788332 401859358 /nfs/dbraw/zinc/85/93/58/401859358.db2.gz JIWKOLUQXDXXSD-OCCSQVGLSA-N 1 0 322.474 2.276 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(Cc3cnc(Cl)s3)CC2)CCO1 ZINC000078688696 401862169 /nfs/dbraw/zinc/86/21/69/401862169.db2.gz MLYVVDVXGRAWQV-LLVKDONJSA-N 1 0 315.870 2.482 10 0 DEAERO Cc1ccccc1[C@@H](C)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117023033 401867200 /nfs/dbraw/zinc/86/72/00/401867200.db2.gz YOKCKVILYVFJHW-HUUCEWRRSA-N 1 0 305.422 2.028 10 0 DEAERO C[C@@H]1CC[C@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)O1 ZINC000129960869 401813318 /nfs/dbraw/zinc/81/33/18/401813318.db2.gz UKAYDBXVLHJPDW-RHSMWYFYSA-N 1 0 302.418 2.119 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000087330472 401931191 /nfs/dbraw/zinc/93/11/91/401931191.db2.gz QWDVRJMBBWGTFT-GFCCVEGCSA-N 1 0 324.371 2.386 10 0 DEAERO COCCOCC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000079434117 401873326 /nfs/dbraw/zinc/87/33/26/401873326.db2.gz TUGZWZSLPUPMTA-UHFFFAOYSA-N 1 0 318.461 2.424 10 0 DEAERO CC(C)Oc1cccnc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000079531308 401875152 /nfs/dbraw/zinc/87/51/52/401875152.db2.gz CZBNHFYNIVKNJA-AWEZNQCLSA-N 1 0 305.422 2.473 10 0 DEAERO CC[C@H]1CN(C(=O)NC[C@H]2CC=CCC2)CC[N@@H+]1CCOC ZINC000117485874 401878289 /nfs/dbraw/zinc/87/82/89/401878289.db2.gz GJIXNAHQRGXDGE-HOTGVXAUSA-N 1 0 309.454 2.095 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1C(C)C ZINC000117495188 401878324 /nfs/dbraw/zinc/87/83/24/401878324.db2.gz BVDSJTAIEHRLMF-HOTGVXAUSA-N 1 0 311.470 2.317 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000079800326 401881564 /nfs/dbraw/zinc/88/15/64/401881564.db2.gz JNEWBCOVSRHURX-UHFFFAOYSA-N 1 0 303.406 2.179 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC000117783716 401884318 /nfs/dbraw/zinc/88/43/18/401884318.db2.gz INTXIWWGELFYIH-GJZGRUSLSA-N 1 0 302.418 2.495 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(OC)cc1C ZINC000118019027 401888898 /nfs/dbraw/zinc/88/88/98/401888898.db2.gz QXIRWHLOYUNJKL-AWEZNQCLSA-N 1 0 321.421 2.236 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NC2CCC(C)CC2)[C@H](C)C1 ZINC000081096594 401893711 /nfs/dbraw/zinc/89/37/11/401893711.db2.gz HYOJMIYMRBOKKW-MYBQVCMBSA-N 1 0 309.498 2.343 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)o1 ZINC000083550348 401901166 /nfs/dbraw/zinc/90/11/66/401901166.db2.gz UISOAWGHZJELHW-VHSXEESVSA-N 1 0 313.195 2.351 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCC(C)(C)c2cccc(F)c2)C1 ZINC000118585465 401901185 /nfs/dbraw/zinc/90/11/85/401901185.db2.gz VZIIKBIMFMSVBE-HNNXBMFYSA-N 1 0 307.413 2.449 10 0 DEAERO [NH3+]C1(CNS(=O)(=O)c2ccccc2F)CCCCCC1 ZINC000036266842 401903859 /nfs/dbraw/zinc/90/38/59/401903859.db2.gz HCCCSAGTIHBZGE-UHFFFAOYSA-N 1 0 300.399 2.156 10 0 DEAERO CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000134508706 401904747 /nfs/dbraw/zinc/90/47/47/401904747.db2.gz HBOUQSJBGGFZSY-SJORKVTESA-N 1 0 309.450 2.436 10 0 DEAERO CC[C@@H](CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000037851497 401917752 /nfs/dbraw/zinc/91/77/52/401917752.db2.gz JVYIVKWWZCFBIN-UWVGGRQHSA-N 1 0 308.205 2.094 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cccc(Br)c1 ZINC000038012401 401920225 /nfs/dbraw/zinc/92/02/25/401920225.db2.gz OMWDVJFAIGZDIZ-SMDDNHRTSA-N 1 0 324.222 2.357 10 0 DEAERO O=C(c1nc(Cl)ccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000038107477 401922163 /nfs/dbraw/zinc/92/21/63/401922163.db2.gz NCSUTGPCMPOUNC-SECBINFHSA-N 1 0 300.189 2.309 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N([C@H](C)C(C)C)C1CC1 ZINC000086396080 401922497 /nfs/dbraw/zinc/92/24/97/401922497.db2.gz RDMYTKXFIQAPBY-GDBMZVCRSA-N 1 0 311.470 2.316 10 0 DEAERO COc1cccc(C[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c1 ZINC000136067184 401959200 /nfs/dbraw/zinc/95/92/00/401959200.db2.gz RUBRCIYFCJSXCC-SFHVURJKSA-N 1 0 317.477 2.297 10 0 DEAERO CC(C)[C@H](CNC(=O)CCc1ccnn1C)[NH+]1CCC(C)CC1 ZINC000119770536 401966194 /nfs/dbraw/zinc/96/61/94/401966194.db2.gz YOFUIEFNEDWNOV-KRWDZBQOSA-N 1 0 320.481 2.225 10 0 DEAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000136381191 401966699 /nfs/dbraw/zinc/96/66/99/401966699.db2.gz BGHXTLRGSHJEEH-GXTWGEPZSA-N 1 0 302.418 2.486 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000046280869 401968489 /nfs/dbraw/zinc/96/84/89/401968489.db2.gz BAMPDXFGVKVAKR-CYBMUJFWSA-N 1 0 321.421 2.287 10 0 DEAERO CC(C)c1noc(CCC(=O)NCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000046860526 401974374 /nfs/dbraw/zinc/97/43/74/401974374.db2.gz FMBUPUJZPXBMOQ-CYBMUJFWSA-N 1 0 308.426 2.116 10 0 DEAERO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc2c1OCCO2 ZINC000091899088 401998696 /nfs/dbraw/zinc/99/86/96/401998696.db2.gz GLSJBZLVLXLMMI-KBPBESRZSA-N 1 0 307.390 2.059 10 0 DEAERO CN(C(=O)CN1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000047972681 401991506 /nfs/dbraw/zinc/99/15/06/401991506.db2.gz CPUSIQICAFKEAX-UHFFFAOYSA-N 1 0 315.461 2.457 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccccc1Br ZINC000148932325 401992308 /nfs/dbraw/zinc/99/23/08/401992308.db2.gz BKZQFFJRISULIJ-NEPJUHHUSA-N 1 0 324.222 2.357 10 0 DEAERO Cc1nn(C)c(C)c1-c1ccnc(N[C@H]2CCC[N@H+](C)C2)n1 ZINC000048159277 401995049 /nfs/dbraw/zinc/99/50/49/401995049.db2.gz IGIXQMKIHJAWSU-ZDUSSCGKSA-N 1 0 300.410 2.000 10 0 DEAERO CCCC[C@@H](COC)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091343686 401996250 /nfs/dbraw/zinc/99/62/50/401996250.db2.gz HRWHJKIBOYMLDM-OCCSQVGLSA-N 1 0 314.451 2.190 10 0 DEAERO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091343684 401996554 /nfs/dbraw/zinc/99/65/54/401996554.db2.gz HRWHJKIBOYMLDM-JSGCOSHPSA-N 1 0 314.451 2.190 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)CCc1ccnn1C)CC(C)C ZINC000119388368 401946509 /nfs/dbraw/zinc/94/65/09/401946509.db2.gz GBQQFFQYSXAJMV-MRXNPFEDSA-N 1 0 308.470 2.225 10 0 DEAERO CCc1nc2ccccc2n1C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000093301870 402014014 /nfs/dbraw/zinc/01/40/14/402014014.db2.gz OLJYIIBMTJYACV-MRXNPFEDSA-N 1 0 312.417 2.124 10 0 DEAERO Cc1cnc(CCN(C)C(=O)NC[C@H](C)[N@H+](C)C2CC2)s1 ZINC000121314698 402027910 /nfs/dbraw/zinc/02/79/10/402027910.db2.gz LMDLSMRFZMOSGR-NSHDSACASA-N 1 0 310.467 2.118 10 0 DEAERO O=C1NCCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000050395467 402028073 /nfs/dbraw/zinc/02/80/73/402028073.db2.gz VYVNKMUKUSFSOF-OLZOCXBDSA-N 1 0 309.207 2.305 10 0 DEAERO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000151397790 402033914 /nfs/dbraw/zinc/03/39/14/402033914.db2.gz KQIYQVAKVHOFHT-HNNXBMFYSA-N 1 0 323.481 2.319 10 0 DEAERO CCC[C@H](C(=O)Nc1nc(Br)ccc1O)[NH+](C)C ZINC000121518717 402041645 /nfs/dbraw/zinc/04/16/45/402041645.db2.gz UKRPUUQKTNJPIB-MRVPVSSYSA-N 1 0 316.199 2.219 10 0 DEAERO CC(C)C[C@H](C)S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151622296 402046844 /nfs/dbraw/zinc/04/68/44/402046844.db2.gz TTXIDHDZRGPQRI-LSDHHAIUSA-N 1 0 302.484 2.169 10 0 DEAERO CCC[C@@H](C(=O)NC[C@@H](C)Oc1ccc(OC)cc1)[NH+](C)C ZINC000121666690 402047471 /nfs/dbraw/zinc/04/74/71/402047471.db2.gz KYRYSWCOWFSUGR-CJNGLKHVSA-N 1 0 308.422 2.309 10 0 DEAERO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c(C)s1 ZINC000048672349 402006129 /nfs/dbraw/zinc/00/61/29/402006129.db2.gz XVEZVUYGUWKQTP-LLVKDONJSA-N 1 0 316.492 2.375 10 0 DEAERO CCn1cc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cn1 ZINC000092754653 402008481 /nfs/dbraw/zinc/00/84/81/402008481.db2.gz GAPSRRYEFHWLPY-AWEZNQCLSA-N 1 0 306.454 2.276 10 0 DEAERO CCc1nn(C)c(CC)c1CN1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000120980539 402009369 /nfs/dbraw/zinc/00/93/69/402009369.db2.gz UZFIOTBRUQQBTP-OAHLLOKOSA-N 1 0 322.497 2.088 10 0 DEAERO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000097254922 402119800 /nfs/dbraw/zinc/11/98/00/402119800.db2.gz QYDXQFGXLMAZQF-BBRMVZONSA-N 1 0 315.417 2.059 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(C(=O)NCCC3=CCCC3)CC2)CCO1 ZINC000152078423 402074370 /nfs/dbraw/zinc/07/43/70/402074370.db2.gz VIRAOSNDRDJXFJ-HNNXBMFYSA-N 1 0 321.465 2.382 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000055295315 402079520 /nfs/dbraw/zinc/07/95/20/402079520.db2.gz XFXBQBJOHZMUOF-MRXNPFEDSA-N 1 0 318.442 2.138 10 0 DEAERO O[C@H](Cn1cnc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000058137199 402098832 /nfs/dbraw/zinc/09/88/32/402098832.db2.gz DQPOZPIVWUOICX-KRWDZBQOSA-N 1 0 307.397 2.456 10 0 DEAERO Cc1cc(C(=O)NCCCC[NH+]2CCOCC2)c(C)n1C1CC1 ZINC000061609173 402108497 /nfs/dbraw/zinc/10/84/97/402108497.db2.gz OGQHOEKNRAHCSA-UHFFFAOYSA-N 1 0 319.449 2.282 10 0 DEAERO Cn1c(CN2CCC(CCC[NH+](C)C)CC2)nnc1C1CC1 ZINC000123138749 402112818 /nfs/dbraw/zinc/11/28/18/402112818.db2.gz SSMYPTZEJHHTQS-UHFFFAOYSA-N 1 0 305.470 2.246 10 0 DEAERO Cc1ccc(CNC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123154717 402113275 /nfs/dbraw/zinc/11/32/75/402113275.db2.gz JJIXGZUOPGMBKJ-NVXWUHKLSA-N 1 0 303.450 2.026 10 0 DEAERO CN1CCO[C@H](CNC(=O)N2CCCCC[C@@H]2c2ccco2)C1 ZINC000152910591 402116458 /nfs/dbraw/zinc/11/64/58/402116458.db2.gz POZBBIFVBFPEAX-HUUCEWRRSA-N 1 0 321.421 2.237 10 0 DEAERO CC(=O)Nc1ccc(F)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123257407 402118147 /nfs/dbraw/zinc/11/81/47/402118147.db2.gz JLJPNLOBWWPCSJ-SMDDNHRTSA-N 1 0 321.396 2.339 10 0 DEAERO COc1cc(C)c([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1OC ZINC000123266139 402118602 /nfs/dbraw/zinc/11/86/02/402118602.db2.gz GIVUAVUBWYLFHN-GJZGRUSLSA-N 1 0 322.449 2.384 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCN(C)c1ccccc1 ZINC000097413454 402124558 /nfs/dbraw/zinc/12/45/58/402124558.db2.gz OUVRRXDVYHIBEP-INIZCTEOSA-N 1 0 320.481 2.398 10 0 DEAERO C[C@@H]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000098032647 402134687 /nfs/dbraw/zinc/13/46/87/402134687.db2.gz SNYOGFCJJPHZBP-CVEARBPZSA-N 1 0 311.470 2.224 10 0 DEAERO C/C=C\c1ccc(OCC(=O)NCC[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000566237078 292220258 /nfs/dbraw/zinc/22/02/58/292220258.db2.gz JZNSZGUBCXTEEL-ABCZVMIZSA-N 1 0 318.417 2.223 10 0 DEAERO COCCCNC(=O)[C@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000101566212 402149009 /nfs/dbraw/zinc/14/90/09/402149009.db2.gz QQAUQPPBLMXYQD-HNNXBMFYSA-N 1 0 322.449 2.285 10 0 DEAERO COc1c(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(C)nn1C ZINC000093563964 286183841 /nfs/dbraw/zinc/18/38/41/286183841.db2.gz KMRBWVGGDVZVLW-HNNXBMFYSA-N 1 0 306.454 2.187 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCOc1cccc(C=O)c1 ZINC000068279513 402190629 /nfs/dbraw/zinc/19/06/29/402190629.db2.gz WCYJIIFDQZKJKO-OAHLLOKOSA-N 1 0 318.417 2.259 10 0 DEAERO CC(C)[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000124741449 402194754 /nfs/dbraw/zinc/19/47/54/402194754.db2.gz DNKVVMLEJLNROI-OAGGEKHMSA-N 1 0 311.470 2.220 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCCNc2ccccc2)C1 ZINC000067631995 402165939 /nfs/dbraw/zinc/16/59/39/402165939.db2.gz VUAIZFAMTMFWHO-INIZCTEOSA-N 1 0 304.438 2.272 10 0 DEAERO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cc1F ZINC000153744098 402167377 /nfs/dbraw/zinc/16/73/77/402167377.db2.gz BYQZURSHNLREII-KRWDZBQOSA-N 1 0 320.408 2.394 10 0 DEAERO CN(C[C@H]1CCCO1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000102903629 402174237 /nfs/dbraw/zinc/17/42/37/402174237.db2.gz JILAIDFAEAFKCA-MRXNPFEDSA-N 1 0 305.422 2.069 10 0 DEAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102929114 402174785 /nfs/dbraw/zinc/17/47/85/402174785.db2.gz XETUIIAILIPKOF-AWEZNQCLSA-N 1 0 304.390 2.467 10 0 DEAERO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102915308 402175215 /nfs/dbraw/zinc/17/52/15/402175215.db2.gz AUROPWODEXDBAA-CQSZACIVSA-N 1 0 304.390 2.419 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1nccn1C(F)F ZINC000106912189 402222704 /nfs/dbraw/zinc/22/27/04/402222704.db2.gz XDOPKMBTUMGAMN-CYBMUJFWSA-N 1 0 322.359 2.067 10 0 DEAERO CC[C@H]1CN(Cc2noc3c2CCCC3)CC[N@@H+]1CCOC ZINC000108867465 402263780 /nfs/dbraw/zinc/26/37/80/402263780.db2.gz VNAJXFSRIXGPOJ-AWEZNQCLSA-N 1 0 307.438 2.096 10 0 DEAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(-c2ncon2)cc1 ZINC000107248349 402228497 /nfs/dbraw/zinc/22/84/97/402228497.db2.gz DPTGAVCMYIADAQ-HNNXBMFYSA-N 1 0 314.389 2.293 10 0 DEAERO C[C@]1(CNC(=O)N[C@@H]2CCOC2)CCC[N@@H+]1Cc1ccccc1 ZINC000344996474 404490555 /nfs/dbraw/zinc/49/05/55/404490555.db2.gz CIEZBZLJQBEWNR-SJLPKXTDSA-N 1 0 317.433 2.129 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccncc1Br ZINC000154813766 402233743 /nfs/dbraw/zinc/23/37/43/402233743.db2.gz UIUDJGLLJKKMGX-WDEREUQCSA-N 1 0 324.222 2.153 10 0 DEAERO Cc1cnn(CCC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107530602 402234757 /nfs/dbraw/zinc/23/47/57/402234757.db2.gz PTWFXKJTBAQIKH-MRXNPFEDSA-N 1 0 304.438 2.059 10 0 DEAERO CC(C)NC(=O)CCCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107779040 402240331 /nfs/dbraw/zinc/24/03/31/402240331.db2.gz ASWRYPFFCHCPGQ-MRXNPFEDSA-N 1 0 323.481 2.158 10 0 DEAERO CC(C)CSCCC[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000155255551 402250133 /nfs/dbraw/zinc/25/01/33/402250133.db2.gz BHEDPLYKACFXHP-CVEARBPZSA-N 1 0 300.512 2.418 10 0 DEAERO COCc1cc(N2CCC[NH2+]CC2)nc(-c2ccc(F)cc2)n1 ZINC000070451995 402260381 /nfs/dbraw/zinc/26/03/81/402260381.db2.gz UWJFNNHOKSZBEX-UHFFFAOYSA-N 1 0 316.380 2.229 10 0 DEAERO CN1CCN(C(=O)c2cnn3c2CCCC3)[C@@H](c2ccccc2)C1 ZINC000126027450 402261218 /nfs/dbraw/zinc/26/12/18/402261218.db2.gz QBCWIZPQQPYBJM-GOSISDBHSA-N 1 0 324.428 2.348 10 0 DEAERO [NH3+][C@@H]1CCCN(c2nccn3nc(-c4cccc(F)c4)cc23)C1 ZINC000070459299 402261483 /nfs/dbraw/zinc/26/14/83/402261483.db2.gz JNGQKPXFIGHXOM-CQSZACIVSA-N 1 0 311.364 2.463 10 0 DEAERO C[C@@H](CNC(=O)N1CCO[C@@H](c2ccsc2)C1)[N@H+](C)C1CC1 ZINC000124968427 402206240 /nfs/dbraw/zinc/20/62/40/402206240.db2.gz HNDRSOXAQKMQIB-SWLSCSKDSA-N 1 0 323.462 2.314 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)C1 ZINC000068845494 402207393 /nfs/dbraw/zinc/20/73/93/402207393.db2.gz ZJLVVOPPFXCEHV-GDBMZVCRSA-N 1 0 318.417 2.257 10 0 DEAERO CCCn1cc(CN2CCCN(C(=O)[C@@H](C)CC)CC2)cn1 ZINC000105833729 402209933 /nfs/dbraw/zinc/20/99/33/402209933.db2.gz OYDMGJNXZGIPJX-HNNXBMFYSA-N 1 0 306.454 2.374 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC000105895052 402210563 /nfs/dbraw/zinc/21/05/63/402210563.db2.gz YXENIOGNACMDMN-MRXNPFEDSA-N 1 0 318.465 2.432 10 0 DEAERO CCCCCNC(=O)[C@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886832 402210838 /nfs/dbraw/zinc/21/08/38/402210838.db2.gz WWCANVVOARUOET-HNNXBMFYSA-N 1 0 306.454 2.290 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)CSCc1cscn1 ZINC000125104312 402212994 /nfs/dbraw/zinc/21/29/94/402212994.db2.gz JHSPDKRGQXGBHN-NSHDSACASA-N 1 0 301.481 2.223 10 0 DEAERO COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2Cc2cnn(C)c2C)c1 ZINC000225730592 402322444 /nfs/dbraw/zinc/32/24/44/402322444.db2.gz YUMGFFCEFWEDQF-WBVHZDCISA-N 1 0 301.390 2.045 10 0 DEAERO CCc1ccc(C(C)(C)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000176608448 402323132 /nfs/dbraw/zinc/32/31/32/402323132.db2.gz QTWCMMIYOAPNTB-QGZVFWFLSA-N 1 0 318.461 2.316 10 0 DEAERO C[C@@H](C(=O)NCCCC[NH+]1CCOCC1)c1ccccc1F ZINC000108989339 402265998 /nfs/dbraw/zinc/26/59/98/402265998.db2.gz OAHYWYGJEBHYAF-CQSZACIVSA-N 1 0 308.397 2.158 10 0 DEAERO COc1nc(C)nc(N2CCC(OCCC[NH+](C)C)CC2)c1C ZINC000184590194 402281242 /nfs/dbraw/zinc/28/12/42/402281242.db2.gz VYJQMGVZBRUJBB-UHFFFAOYSA-N 1 0 322.453 2.039 10 0 DEAERO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC000156833141 402288826 /nfs/dbraw/zinc/28/88/26/402288826.db2.gz DPKTWHJTJNSHDV-CQSZACIVSA-N 1 0 310.401 2.394 10 0 DEAERO C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000176263090 402294985 /nfs/dbraw/zinc/29/49/85/402294985.db2.gz QUMLPSTWJKLTAP-RDTXWAMCSA-N 1 0 304.434 2.094 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000176289199 402297245 /nfs/dbraw/zinc/29/72/45/402297245.db2.gz CNRMMWPSNZNWAQ-INIZCTEOSA-N 1 0 311.385 2.022 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCCc2cccnc2)CC1 ZINC000157715928 402298161 /nfs/dbraw/zinc/29/81/61/402298161.db2.gz DXSVIKXXJAJGFO-UHFFFAOYSA-N 1 0 304.438 2.045 10 0 DEAERO Cc1oc2ccccc2c1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000184945036 402311286 /nfs/dbraw/zinc/31/12/86/402311286.db2.gz OEEQGEPRNODOQZ-UHFFFAOYSA-N 1 0 315.417 2.061 10 0 DEAERO Cc1nnc([C@@H]([NH2+][C@H](C)CCn2cccn2)c2ccccc2)[nH]1 ZINC000158809635 402312749 /nfs/dbraw/zinc/31/27/49/402312749.db2.gz YDUVCUQLUWUEJV-CJNGLKHVSA-N 1 0 310.405 2.467 10 0 DEAERO C[C@H](CCn1cccn1)[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000158845554 402313359 /nfs/dbraw/zinc/31/33/59/402313359.db2.gz KIBGTIHIMPESIE-WBVHZDCISA-N 1 0 312.417 2.447 10 0 DEAERO CCO[C@H](CCNC(=O)N1CC[C@@H]([NH+](C)C)C1)C1CCCC1 ZINC000176504736 402315830 /nfs/dbraw/zinc/31/58/30/402315830.db2.gz ORCFXENCBDKSLS-HZPDHXFCSA-N 1 0 311.470 2.317 10 0 DEAERO CCOC[C@H]1CCC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185005030 402316463 /nfs/dbraw/zinc/31/64/63/402316463.db2.gz GJQHDRAGOGKRBJ-ZDUSSCGKSA-N 1 0 304.394 2.324 10 0 DEAERO COc1ccc(C[C@H](C)C[NH2+]C[C@@H](C)N2CCOCC2)cc1F ZINC000185270318 402339907 /nfs/dbraw/zinc/33/99/07/402339907.db2.gz HVTSOLWMZHXIBK-LSDHHAIUSA-N 1 0 324.440 2.323 10 0 DEAERO COC1(CNC(=O)N2CCC[N@@H+](C3CC3)CC2)CCCCC1 ZINC000185896437 402386856 /nfs/dbraw/zinc/38/68/56/402386856.db2.gz ZISBGSZJVQYJOZ-UHFFFAOYSA-N 1 0 309.454 2.215 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)[C@@H](CO)CC(C)C ZINC000185358401 402346224 /nfs/dbraw/zinc/34/62/24/402346224.db2.gz WQCSRCWBSHHNGS-LSDHHAIUSA-N 1 0 322.449 2.211 10 0 DEAERO O=C(c1ncncc1Cl)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000176885853 402346440 /nfs/dbraw/zinc/34/64/40/402346440.db2.gz RWNCFOOJFAXSRW-GFCCVEGCSA-N 1 0 308.813 2.221 10 0 DEAERO CCc1ccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000176892087 402346963 /nfs/dbraw/zinc/34/69/63/402346963.db2.gz HIUYYJHJYQYVKG-HNNXBMFYSA-N 1 0 318.461 2.414 10 0 DEAERO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000234756117 402360680 /nfs/dbraw/zinc/36/06/80/402360680.db2.gz YMGLCSLLSWCIRV-ZOWXZIJZSA-N 1 0 301.814 2.403 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(-n2cccn2)c1 ZINC000177032767 402361258 /nfs/dbraw/zinc/36/12/58/402361258.db2.gz XRFWQPAOMKQDGV-QGZVFWFLSA-N 1 0 312.417 2.429 10 0 DEAERO Cc1oc2ccccc2c1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000185592146 402363340 /nfs/dbraw/zinc/36/33/40/402363340.db2.gz SYOZUJQBEBUOGX-CYBMUJFWSA-N 1 0 302.374 2.144 10 0 DEAERO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000177084600 402367991 /nfs/dbraw/zinc/36/79/91/402367991.db2.gz BGTROBWYUMKQDC-GFCCVEGCSA-N 1 0 323.462 2.274 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1N(C)C ZINC000177116005 402371248 /nfs/dbraw/zinc/37/12/48/402371248.db2.gz QWVVOCRMOGYNMJ-ZIAGYGMSSA-N 1 0 302.422 2.453 10 0 DEAERO CC(=O)c1cccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000236668440 402372803 /nfs/dbraw/zinc/37/28/03/402372803.db2.gz WHMKMYOSMSMAME-UHFFFAOYSA-N 1 0 324.446 2.219 10 0 DEAERO c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH2+][C@@H]1CCCOC1 ZINC000236715186 402377052 /nfs/dbraw/zinc/37/70/52/402377052.db2.gz QUFASPLNLZALMZ-CQSZACIVSA-N 1 0 315.373 2.117 10 0 DEAERO c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH2+][C@H]1CCCOC1 ZINC000236714465 402377295 /nfs/dbraw/zinc/37/72/95/402377295.db2.gz QUFASPLNLZALMZ-AWEZNQCLSA-N 1 0 315.373 2.117 10 0 DEAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000177185625 402379550 /nfs/dbraw/zinc/37/95/50/402379550.db2.gz MVCZPPDYYAXJKZ-ZIAGYGMSSA-N 1 0 300.406 2.438 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C)CC2 ZINC000185240588 402338089 /nfs/dbraw/zinc/33/80/89/402338089.db2.gz KUIOZGQHQFRLQQ-MCIONIFRSA-N 1 0 306.454 2.337 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCOc1cccc(F)c1 ZINC000177362974 402394794 /nfs/dbraw/zinc/39/47/94/402394794.db2.gz HRKLLNCTFPYQFK-HNNXBMFYSA-N 1 0 323.412 2.330 10 0 DEAERO COc1cc(N2CCN(c3cc[nH+]c4ccccc43)CC2)ncn1 ZINC000185992077 402395550 /nfs/dbraw/zinc/39/55/50/402395550.db2.gz MLQVRAPGERPDCR-UHFFFAOYSA-N 1 0 321.384 2.360 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(C(=O)NC(C)C)cc1)[NH+](C)C ZINC000161680076 402395752 /nfs/dbraw/zinc/39/57/52/402395752.db2.gz CQZAQUGULHFVPV-OAHLLOKOSA-N 1 0 305.422 2.494 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2c[nH]nc2-c2ccccc2F)CC1 ZINC000237135739 402396342 /nfs/dbraw/zinc/39/63/42/402396342.db2.gz YVIKZCHFTVWHEC-UHFFFAOYSA-N 1 0 302.353 2.040 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccc(-n2ccnc2)c(F)c1)[NH+](C)C ZINC000161774024 402398358 /nfs/dbraw/zinc/39/83/58/402398358.db2.gz UQUKTGCIJMHBQK-INIZCTEOSA-N 1 0 318.396 2.358 10 0 DEAERO COCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000161793422 402399707 /nfs/dbraw/zinc/39/97/07/402399707.db2.gz TZKSBYNOXYSWHV-SJORKVTESA-N 1 0 308.466 2.430 10 0 DEAERO CCC[C@@H](C(=O)Nc1cccc(NC(=O)NCC)c1)[NH+](C)C ZINC000161808476 402399791 /nfs/dbraw/zinc/39/97/91/402399791.db2.gz BPSXKOHZKKNBEJ-AWEZNQCLSA-N 1 0 306.410 2.497 10 0 DEAERO C[NH2+]C[C@H](C)C(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000237302112 402403329 /nfs/dbraw/zinc/40/33/29/402403329.db2.gz AKDMQGHDJVZDRW-UONOGXRCSA-N 1 0 323.868 2.401 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1COc2ccccc21 ZINC000177449200 402403443 /nfs/dbraw/zinc/40/34/43/402403443.db2.gz UWMJKCOMSHVYDL-UKRRQHHQSA-N 1 0 303.406 2.246 10 0 DEAERO Cc1ccc(CNC(=O)[C@]2(F)CC[NH2+]C2)c(OC(C)(C)C)c1 ZINC000161912344 402403554 /nfs/dbraw/zinc/40/35/54/402403554.db2.gz GNLKUWJTZHOCJQ-KRWDZBQOSA-N 1 0 308.397 2.490 10 0 DEAERO C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCCC[NH3+] ZINC000237370519 402406605 /nfs/dbraw/zinc/40/66/05/402406605.db2.gz FOJFZISEQSQDHZ-CYBMUJFWSA-N 1 0 313.401 2.309 10 0 DEAERO CCC[C@@H](C(=O)NCCc1ccc(NC(C)=O)cc1)[NH+](C)C ZINC000162008459 402406734 /nfs/dbraw/zinc/40/67/34/402406734.db2.gz XRWDDFUPFGCIII-INIZCTEOSA-N 1 0 305.422 2.034 10 0 DEAERO C[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1ccc2c(c1)OCO2 ZINC000237458556 402408810 /nfs/dbraw/zinc/40/88/10/402408810.db2.gz FJVJDRYJGAGCSE-MLGOLLRUSA-N 1 0 324.380 2.307 10 0 DEAERO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000237463906 402408844 /nfs/dbraw/zinc/40/88/44/402408844.db2.gz MCWYPTACVIYZPY-QWHCGFSZSA-N 1 0 320.481 2.110 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(Cc3cc(O)cc(F)c3)CC2)CCO1 ZINC000186191967 402409053 /nfs/dbraw/zinc/40/90/53/402409053.db2.gz DLBMVYTUMREQTF-ZDUSSCGKSA-N 1 0 308.397 2.216 10 0 DEAERO Cc1ccccc1OCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237562980 402413618 /nfs/dbraw/zinc/41/36/18/402413618.db2.gz IKYOENHARCUKGR-JYJNAYRXSA-N 1 0 302.418 2.411 10 0 DEAERO CCC[C@@H](C(=O)Nc1cccc(N2CCCNC2=O)c1)[NH+](C)C ZINC000162335329 402416737 /nfs/dbraw/zinc/41/67/37/402416737.db2.gz FUTKUOFYDYMLBB-HNNXBMFYSA-N 1 0 318.421 2.275 10 0 DEAERO C[C@]([NH3+])(C(=O)NC1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000237659306 402417330 /nfs/dbraw/zinc/41/73/30/402417330.db2.gz OYDKMUHMZMDQFE-LJQANCHMSA-N 1 0 324.428 2.041 10 0 DEAERO [NH3+]CCCOC1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000237829595 402422520 /nfs/dbraw/zinc/42/25/20/402422520.db2.gz NMDCJDNFVHFUDQ-UHFFFAOYSA-N 1 0 320.408 2.214 10 0 DEAERO O=C(Nc1ccnn1-c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000237891297 402425377 /nfs/dbraw/zinc/42/53/77/402425377.db2.gz SZRHXVCEAQDEGX-UHFFFAOYSA-N 1 0 304.781 2.464 10 0 DEAERO CCO[C@H]1C[C@@H](N(C)Cc2nnc(C3CC3)n2C)C12CCC2 ZINC000177673381 402425404 /nfs/dbraw/zinc/42/54/04/402425404.db2.gz FVLMEPWPMPHLGC-KGLIPLIRSA-N 1 0 304.438 2.472 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)NCc1cccs1 ZINC000177695998 402427235 /nfs/dbraw/zinc/42/72/35/402427235.db2.gz PKUKICRGUIFFKW-KBPBESRZSA-N 1 0 309.479 2.169 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)n2)C12CCOCC2 ZINC000186433422 402430673 /nfs/dbraw/zinc/43/06/73/402430673.db2.gz JNRQUBGFSDYKGQ-CVEARBPZSA-N 1 0 319.449 2.211 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177752990 402432857 /nfs/dbraw/zinc/43/28/57/402432857.db2.gz MGFVFVANRRBVSZ-ZACQAIPSSA-N 1 0 307.482 2.194 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000177767606 402434149 /nfs/dbraw/zinc/43/41/49/402434149.db2.gz BLHQCZTXTCNYDQ-KURKYZTESA-N 1 0 319.493 2.338 10 0 DEAERO COC(=O)c1cccc(OCCN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177775841 402435423 /nfs/dbraw/zinc/43/54/23/402435423.db2.gz DCRFFWRHMRBJNK-MRXNPFEDSA-N 1 0 318.417 2.022 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186552706 402441084 /nfs/dbraw/zinc/44/10/84/402441084.db2.gz INQKJWPJBSWRJG-OAHLLOKOSA-N 1 0 316.401 2.011 10 0 DEAERO CCc1cnc(CCNC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)s1 ZINC000177884879 402442039 /nfs/dbraw/zinc/44/20/39/402442039.db2.gz YXFHBBPKVZADJF-ZDUSSCGKSA-N 1 0 324.494 2.231 10 0 DEAERO CCc1nc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cs1 ZINC000177874616 402442119 /nfs/dbraw/zinc/44/21/19/402442119.db2.gz XBJGIMPRQILIEE-LBPRGKRZSA-N 1 0 310.467 2.189 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2nccn2CC(C)C)C1 ZINC000177882404 402442525 /nfs/dbraw/zinc/44/25/25/402442525.db2.gz NHEZBZSNLVDXEL-OAHLLOKOSA-N 1 0 321.469 2.022 10 0 DEAERO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CCOC1 ZINC000177929191 402444851 /nfs/dbraw/zinc/44/48/51/402444851.db2.gz LZKLWJKUZFEATP-MAUKXSAKSA-N 1 0 312.413 2.411 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000163318703 402446896 /nfs/dbraw/zinc/44/68/96/402446896.db2.gz ZCWHNYZRYXCHGB-CRAIPNDOSA-N 1 0 304.434 2.383 10 0 DEAERO CC[C@@H](C[N@H+](CC)C[C@H](O)CN1CCCC1=O)c1ccccc1 ZINC000186620058 402448274 /nfs/dbraw/zinc/44/82/74/402448274.db2.gz ZOLAHNYJYQUBMR-WMZOPIPTSA-N 1 0 318.461 2.485 10 0 DEAERO CCOc1ccccc1NC(=O)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177982341 402449023 /nfs/dbraw/zinc/44/90/23/402449023.db2.gz HWMOYBCLRUPUKW-OAHLLOKOSA-N 1 0 317.433 2.194 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cc(F)cc(F)c1 ZINC000177323630 402391518 /nfs/dbraw/zinc/39/15/18/402391518.db2.gz YQPKJLYYDYYXKC-CVEARBPZSA-N 1 0 323.387 2.462 10 0 DEAERO Cc1ccc(NC(=O)CN2CCCC[C@@]2(C)C(N)=O)cc1Cl ZINC000185959898 402393021 /nfs/dbraw/zinc/39/30/21/402393021.db2.gz INDNSUOKWMHBDI-INIZCTEOSA-N 1 0 323.824 2.317 10 0 DEAERO C[C@@H]([NH2+]CC1CCSCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000163702166 402455843 /nfs/dbraw/zinc/45/58/43/402455843.db2.gz YLPKFBPMQDFVMC-LLVKDONJSA-N 1 0 314.476 2.128 10 0 DEAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000245403950 402456225 /nfs/dbraw/zinc/45/62/25/402456225.db2.gz NLQTUUUOOUZWKO-OFQRWUPVSA-N 1 0 318.417 2.137 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(C)cc2)[C@@H](C)C1 ZINC000245412426 402457830 /nfs/dbraw/zinc/45/78/30/402457830.db2.gz AODWAGPORBKMMD-FUHWJXTLSA-N 1 0 317.477 2.273 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3ccco3)no2)[C@@H](C)C1 ZINC000245426535 402459329 /nfs/dbraw/zinc/45/93/29/402459329.db2.gz LJTULEBFSJSJII-STQMWFEESA-N 1 0 304.394 2.492 10 0 DEAERO COc1ccc(F)cc1CNC(=O)NCC[NH+]1CCCCC1 ZINC000186724432 402459524 /nfs/dbraw/zinc/45/95/24/402459524.db2.gz HUOLMEPVMOLXHB-UHFFFAOYSA-N 1 0 309.385 2.119 10 0 DEAERO C[C@@H](c1ccccc1)[C@](C)(O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245427371 402459621 /nfs/dbraw/zinc/45/96/21/402459621.db2.gz VZTMZTUKOFYDFL-GFIVTLFCSA-N 1 0 316.445 2.236 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(F)cc1F ZINC000245427129 402459654 /nfs/dbraw/zinc/45/96/54/402459654.db2.gz LUQGIMGLRIXIRN-KGLIPLIRSA-N 1 0 323.387 2.462 10 0 DEAERO C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245428248 402459861 /nfs/dbraw/zinc/45/98/61/402459861.db2.gz WYKKYLTWMLBLQB-FXRXJOCMSA-N 1 0 318.461 2.482 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)C(=O)N(C)C(C)C ZINC000245455189 402462039 /nfs/dbraw/zinc/46/20/39/402462039.db2.gz ANBWKRPZQVYKCN-HUUCEWRRSA-N 1 0 306.454 2.429 10 0 DEAERO Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C2)[nH+]1 ZINC000245473238 402464890 /nfs/dbraw/zinc/46/48/90/402464890.db2.gz PUXDFTZAGUYNFQ-HZPDHXFCSA-N 1 0 318.465 2.379 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccnc2OC)[C@@H](C)C1 ZINC000245484524 402465438 /nfs/dbraw/zinc/46/54/38/402465438.db2.gz HOSBPJUIZOTRJI-JSGCOSHPSA-N 1 0 306.410 2.284 10 0 DEAERO COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(O)c1 ZINC000245497592 402466164 /nfs/dbraw/zinc/46/61/64/402466164.db2.gz ULTBIUNFQXGLJA-KGLIPLIRSA-N 1 0 318.417 2.488 10 0 DEAERO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC000164766042 402468222 /nfs/dbraw/zinc/46/82/22/402468222.db2.gz SVSHUASCZYUXJG-MWLCHTKSSA-N 1 0 322.352 2.124 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)c1cn(C)nc1C ZINC000245592055 402472819 /nfs/dbraw/zinc/47/28/19/402472819.db2.gz BFBLTAOBRVYNQB-BPLDGKMQSA-N 1 0 319.453 2.058 10 0 DEAERO Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)n(C)n1 ZINC000245624375 402475121 /nfs/dbraw/zinc/47/51/21/402475121.db2.gz GBCLOIWTHJKUTN-HOCLYGCPSA-N 1 0 313.405 2.295 10 0 DEAERO CC[C@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1cccc(F)c1 ZINC000165522150 402476424 /nfs/dbraw/zinc/47/64/24/402476424.db2.gz ILCUUWNLTFYHNH-CQSZACIVSA-N 1 0 309.385 2.116 10 0 DEAERO COC(=O)c1cccc(OCC[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)c1 ZINC000187925160 402512961 /nfs/dbraw/zinc/51/29/61/402512961.db2.gz SWAXFABIOSCVDU-KSSFIOAISA-N 1 0 321.417 2.335 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178304884 402482332 /nfs/dbraw/zinc/48/23/32/402482332.db2.gz YTUHVZFATBMZEQ-SQWLQELKSA-N 1 0 306.454 2.349 10 0 DEAERO Cc1c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cnn1CC(C)C ZINC000245746043 402484945 /nfs/dbraw/zinc/48/49/45/402484945.db2.gz MUQABUXFFRSHRI-UKRRQHHQSA-N 1 0 304.438 2.156 10 0 DEAERO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)[C@H]1CCCO1 ZINC000245777150 402487318 /nfs/dbraw/zinc/48/73/18/402487318.db2.gz ZISHIPQTOKCSNN-QKPAOTATSA-N 1 0 311.470 2.316 10 0 DEAERO Cc1ccc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)c(C)n1 ZINC000187327337 402493990 /nfs/dbraw/zinc/49/39/90/402493990.db2.gz LFQIJPGLKNMRQA-UHFFFAOYSA-N 1 0 323.396 2.426 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CCC(=O)N2CCc3ccccc32)C1 ZINC000187939647 402513692 /nfs/dbraw/zinc/51/36/92/402513692.db2.gz XKEYKCKUWDTWFB-KXBFYZLASA-N 1 0 316.445 2.449 10 0 DEAERO COC[C@@H](C)C[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000187346848 402494952 /nfs/dbraw/zinc/49/49/52/402494952.db2.gz GVRIKZXJNZRLDM-KRWDZBQOSA-N 1 0 305.466 2.023 10 0 DEAERO COCCC1(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)CCCCC1 ZINC000187389769 402497604 /nfs/dbraw/zinc/49/76/04/402497604.db2.gz IZZDATACPWXRRK-UHFFFAOYSA-N 1 0 319.449 2.125 10 0 DEAERO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)CC[C@@H]2N1C1CC1 ZINC000245936746 402498910 /nfs/dbraw/zinc/49/89/10/402498910.db2.gz ZPXURCSZXNUNGZ-BPQIPLTHSA-N 1 0 314.429 2.195 10 0 DEAERO C[C@H](OC[C@H]1CCCO1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000245947190 402499559 /nfs/dbraw/zinc/49/95/59/402499559.db2.gz WYHNUWMRRFBYLO-YESZJQIVSA-N 1 0 324.465 2.047 10 0 DEAERO CC(C)N1CCC[C@@H]([N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000178507130 402505664 /nfs/dbraw/zinc/50/56/64/402505664.db2.gz LOHKLDBQWMQHAM-UONOGXRCSA-N 1 0 310.438 2.049 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC[C@H]1C ZINC000187621695 402506736 /nfs/dbraw/zinc/50/67/36/402506736.db2.gz ZUXHJLAULCCRDL-OWCLPIDISA-N 1 0 311.470 2.173 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)NCCC2=CCCCC2)C1 ZINC000187968022 402514312 /nfs/dbraw/zinc/51/43/12/402514312.db2.gz UXQKZTYOLMOLQO-MAUKXSAKSA-N 1 0 308.466 2.476 10 0 DEAERO C[N@H+](CCNC(=O)N1CC[C@H]2OCCC[C@H]2C1)C1CCCC1 ZINC000246725979 402542772 /nfs/dbraw/zinc/54/27/72/402542772.db2.gz OKFDTSKMXQVKHY-GOEBONIOSA-N 1 0 309.454 2.071 10 0 DEAERO CC[C@H]1CN(Cc2cn3c(cccc3C)n2)CC[N@@H+]1CCOC ZINC000170940369 402543660 /nfs/dbraw/zinc/54/36/60/402543660.db2.gz MBVKWOOODPQEJT-KRWDZBQOSA-N 1 0 316.449 2.185 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246825474 402546126 /nfs/dbraw/zinc/54/61/26/402546126.db2.gz UMRYESDGBRBBIE-TWMKSMIVSA-N 1 0 323.481 2.364 10 0 DEAERO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)N1CCO[C@H]2CCCC[C@@H]21 ZINC000247700733 402574827 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CCc1cccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000247340118 402564807 /nfs/dbraw/zinc/56/48/07/402564807.db2.gz HNYOXOLNUBYNCH-NVXWUHKLSA-N 1 0 322.474 2.354 10 0 DEAERO COc1ccccc1CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247460288 402567601 /nfs/dbraw/zinc/56/76/01/402567601.db2.gz QTOFYFBLNBZNKQ-HOCLYGCPSA-N 1 0 302.418 2.323 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2ccc(OC)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247463133 402568359 /nfs/dbraw/zinc/56/83/59/402568359.db2.gz IOOVZPIOIBAPBF-DZGCQCFKSA-N 1 0 321.421 2.004 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)c[nH]1 ZINC000247469586 402568366 /nfs/dbraw/zinc/56/83/66/402568366.db2.gz RNMMSMJOTSEJAI-KOLCDFICSA-N 1 0 312.211 2.086 10 0 DEAERO OCCC1(C[NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000189991450 402568884 /nfs/dbraw/zinc/56/88/84/402568884.db2.gz REMATOFJAQVCQF-UHFFFAOYSA-N 1 0 300.196 2.407 10 0 DEAERO O=C1NCC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000179065018 402569841 /nfs/dbraw/zinc/56/98/41/402569841.db2.gz 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322.424 2.476 10 0 DEAERO Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)[C@H]1CCOC1 ZINC000253416908 402664842 /nfs/dbraw/zinc/66/48/42/402664842.db2.gz OJJAVWHXEYLDHK-IHRRRGAJSA-N 1 0 313.442 2.085 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CC2(C)OCCCO2)CN1Cc1ccccc1 ZINC000192248586 402719021 /nfs/dbraw/zinc/71/90/21/402719021.db2.gz WHJMHXQRLZMGNJ-RDJZCZTQSA-N 1 0 304.434 2.392 10 0 DEAERO CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000182122473 402667623 /nfs/dbraw/zinc/66/76/23/402667623.db2.gz TTWVEKLADRSIEE-DYVFJYSZSA-N 1 0 306.406 2.085 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(c2ccc3cc(OC)ccc3n2)CC1 ZINC000172761553 402674165 /nfs/dbraw/zinc/67/41/65/402674165.db2.gz XCHVNTHNIXSGJX-HNNXBMFYSA-N 1 0 315.417 2.136 10 0 DEAERO CCCN(CCC[NH+](C)C)C(=O)Nc1cncc(C(=O)OC)c1 ZINC000191552701 402678228 /nfs/dbraw/zinc/67/82/28/402678228.db2.gz GKUPQTQSCKTFTA-UHFFFAOYSA-N 1 0 322.409 2.064 10 0 DEAERO Fc1ccccc1SCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173934303 402719824 /nfs/dbraw/zinc/71/98/24/402719824.db2.gz BKBXIHUBNFOQPY-CQSZACIVSA-N 1 0 310.438 2.324 10 0 DEAERO Cc1nn(C(C)(C)C)cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000182430591 402689236 /nfs/dbraw/zinc/68/92/36/402689236.db2.gz AWUQPXFBLTYZLQ-JSGCOSHPSA-N 1 0 304.438 2.255 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(C/C=C\c2ccccc2OC)CC1 ZINC000255512986 402689883 /nfs/dbraw/zinc/68/98/83/402689883.db2.gz FJOKTHNIZFOPJW-BQLWYNFJSA-N 1 0 304.434 2.097 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000173372380 402694439 /nfs/dbraw/zinc/69/44/39/402694439.db2.gz OQRWMGQNJNEQIL-UHFFFAOYSA-N 1 0 321.469 2.211 10 0 DEAERO COCCCOCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000182506273 402695640 /nfs/dbraw/zinc/69/56/40/402695640.db2.gz PCMOYBZERFRUGK-UHFFFAOYSA-N 1 0 306.406 2.274 10 0 DEAERO CCc1cnccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000182515800 402696052 /nfs/dbraw/zinc/69/60/52/402696052.db2.gz JRJNJEUUJVXPHM-UHFFFAOYSA-N 1 0 324.428 2.433 10 0 DEAERO Cc1cccc(C[N@@H+]2CCC[C@H](CO)CCNC(=O)CC2)c1 ZINC000257175353 402700084 /nfs/dbraw/zinc/70/00/84/402700084.db2.gz ATURNEWFVOAOKR-INIZCTEOSA-N 1 0 304.434 2.096 10 0 DEAERO CC[C@@H]1CN(C(=O)c2cccc3cc[nH]c32)CC[N@@H+]1CCOC ZINC000173550048 402702581 /nfs/dbraw/zinc/70/25/81/402702581.db2.gz LFIJCEGIKHPODQ-OAHLLOKOSA-N 1 0 315.417 2.351 10 0 DEAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)NCCc1cccs1 ZINC000182903812 402725526 /nfs/dbraw/zinc/72/55/26/402725526.db2.gz PRPIGGNQBWPIHU-CJNGLKHVSA-N 1 0 318.442 2.119 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2ncc(-c3cccs3)o2)CC1 ZINC000174078945 402725722 /nfs/dbraw/zinc/72/57/22/402725722.db2.gz GTGHXQDHQYPUKG-ZDUSSCGKSA-N 1 0 321.446 2.292 10 0 DEAERO C[C@@H]1CCCN(CC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192475544 402731450 /nfs/dbraw/zinc/73/14/50/402731450.db2.gz KBZOIKNPSGNJQX-CYBMUJFWSA-N 1 0 319.474 2.422 10 0 DEAERO CCCNc1ccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000192580477 402738330 /nfs/dbraw/zinc/73/83/30/402738330.db2.gz MKDUFHUIRKVNIN-MRXNPFEDSA-N 1 0 304.438 2.354 10 0 DEAERO Cn1c2ccc(C[NH2+]C[C@H]3CCCC[C@@H]3O)cc2sc1=O ZINC000192589003 402738798 /nfs/dbraw/zinc/73/87/98/402738798.db2.gz VBVGVZHHNLCXIW-OCCSQVGLSA-N 1 0 306.431 2.241 10 0 DEAERO Cn1c2ccc(C[NH2+]CCC(=O)OC(C)(C)C)cc2sc1=O ZINC000192593340 402739205 /nfs/dbraw/zinc/73/92/05/402739205.db2.gz KFIDBEKZAKQVCA-UHFFFAOYSA-N 1 0 322.430 2.421 10 0 DEAERO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)[C@@H]1CCCO1 ZINC000183138285 402742221 /nfs/dbraw/zinc/74/22/21/402742221.db2.gz RCXUDTLHKWNLCE-ONGXEEELSA-N 1 0 302.827 2.175 10 0 DEAERO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183158712 402743990 /nfs/dbraw/zinc/74/39/90/402743990.db2.gz VTXZALUYFHUPMJ-AWEZNQCLSA-N 1 0 300.406 2.391 10 0 DEAERO COC(=O)C1CCC(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000183174454 402744656 /nfs/dbraw/zinc/74/46/56/402744656.db2.gz CMEHBGFLKMDZMT-QQFBHYJXSA-N 1 0 324.465 2.347 10 0 DEAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000263239844 402749193 /nfs/dbraw/zinc/74/91/93/402749193.db2.gz OKQZYRJAQUMYFU-SKDRFNHKSA-N 1 0 308.731 2.029 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@@H]2c2cccc(F)c2F)n1 ZINC000263251785 402750810 /nfs/dbraw/zinc/75/08/10/402750810.db2.gz PZJIHOBXWBZNLR-NTZNESFSSA-N 1 0 320.343 2.195 10 0 DEAERO Cc1cccc(O[C@@H](C)c2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263263010 402751461 /nfs/dbraw/zinc/75/14/61/402751461.db2.gz RECJTIYTFDRTFW-JSGCOSHPSA-N 1 0 302.378 2.094 10 0 DEAERO Cc1nnnn1-c1cccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000192823559 402752055 /nfs/dbraw/zinc/75/20/55/402752055.db2.gz JLAAZDIHAMOMHT-HWWQOWPSSA-N 1 0 300.410 2.111 10 0 DEAERO Cc1cccc(CSCc2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263299897 402755853 /nfs/dbraw/zinc/75/58/53/402755853.db2.gz WXROHBBERUIUCC-CQSZACIVSA-N 1 0 318.446 2.388 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@H](C)C1 ZINC000174772725 402756704 /nfs/dbraw/zinc/75/67/04/402756704.db2.gz MOEAAKFUJFAJCX-NCOADZHNSA-N 1 0 309.498 2.438 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(CSc2ccc(F)cc2)n1 ZINC000263307525 402757103 /nfs/dbraw/zinc/75/71/03/402757103.db2.gz YDGBTMVQGUKWRR-LBPRGKRZSA-N 1 0 308.382 2.077 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2scnc2C(C)(C)C)n1 ZINC000263314852 402757816 /nfs/dbraw/zinc/75/78/16/402757816.db2.gz ZIKHJTWYTORYGS-VIFPVBQESA-N 1 0 307.423 2.067 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC000263314709 402758033 /nfs/dbraw/zinc/75/80/33/402758033.db2.gz ZIAFMXAONAANBI-GBIKHYSHSA-N 1 0 320.343 2.195 10 0 DEAERO Cc1noc2ncnc(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c12 ZINC000193397786 402770659 /nfs/dbraw/zinc/77/06/59/402770659.db2.gz DCPDSCJXXWKIIV-OLZOCXBDSA-N 1 0 301.394 2.378 10 0 DEAERO Cc1c(F)cccc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000175027282 402772644 /nfs/dbraw/zinc/77/26/44/402772644.db2.gz PHCOYMKTWRKOEI-ZDUSSCGKSA-N 1 0 309.385 2.102 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cccc(OC)c1 ZINC000175044636 402774120 /nfs/dbraw/zinc/77/41/20/402774120.db2.gz NLKXJVIYVRZERF-HZPDHXFCSA-N 1 0 317.433 2.192 10 0 DEAERO CCCOc1ncccc1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000183539097 402775180 /nfs/dbraw/zinc/77/51/80/402775180.db2.gz RNRSPOXRAUFZLR-UHFFFAOYSA-N 1 0 314.389 2.261 10 0 DEAERO CCCCO[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C1(C)C ZINC000175910813 402842255 /nfs/dbraw/zinc/84/22/55/402842255.db2.gz AQQDGKZZDPUTRK-SOUVJXGZSA-N 1 0 311.470 2.316 10 0 DEAERO CC[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)[C@@H](C)C(C)C ZINC000194408040 402796203 /nfs/dbraw/zinc/79/62/03/402796203.db2.gz NVJHKYIHQAFWQF-KBPBESRZSA-N 1 0 318.417 2.010 10 0 DEAERO COC[C@@H](NC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccco1 ZINC000175315306 402796551 /nfs/dbraw/zinc/79/65/51/402796551.db2.gz RHPHKZBFIXFMOA-ZIAGYGMSSA-N 1 0 311.426 2.243 10 0 DEAERO O=C(c1cc(-c2cccs2)n[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195333039 402842390 /nfs/dbraw/zinc/84/23/90/402842390.db2.gz LKAYGLDWPUZCQF-NSHDSACASA-N 1 0 302.403 2.058 10 0 DEAERO C[C@H](CNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000183830967 402800698 /nfs/dbraw/zinc/80/06/98/402800698.db2.gz WPOVCCWKHVMLBU-OAGGEKHMSA-N 1 0 309.498 2.201 10 0 DEAERO CCCCOCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000194506681 402801032 /nfs/dbraw/zinc/80/10/32/402801032.db2.gz NDTFPZFJIYVUQG-INIZCTEOSA-N 1 0 307.438 2.405 10 0 DEAERO CCOc1ccc(CCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195337474 402842555 /nfs/dbraw/zinc/84/25/55/402842555.db2.gz ZJFPBOUJRQWZSD-INIZCTEOSA-N 1 0 302.418 2.325 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(F)ccc1F ZINC000175393033 402802447 /nfs/dbraw/zinc/80/24/47/402802447.db2.gz VKXFSRJQAJTWJA-GFCCVEGCSA-N 1 0 318.389 2.070 10 0 DEAERO Cc1cc(NC[C@@H](O)COCC(C)C)nc(-c2cccnc2)n1 ZINC000194554772 402802739 /nfs/dbraw/zinc/80/27/39/402802739.db2.gz ZNETVFBDMFXOLL-OAHLLOKOSA-N 1 0 316.405 2.292 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(C)sc1C ZINC000175399001 402803213 /nfs/dbraw/zinc/80/32/13/402803213.db2.gz GBCSIQYURNLDET-ZDUSSCGKSA-N 1 0 316.492 2.470 10 0 DEAERO COc1cc(CN(C)C(=O)c2c[nH+]ccc2N(C)C)ccc1O ZINC000183908867 402804711 /nfs/dbraw/zinc/80/47/11/402804711.db2.gz LNOZAGWHWZLBIN-UHFFFAOYSA-N 1 0 315.373 2.134 10 0 DEAERO O=C(NCc1ccc(Cl)nc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194668813 402809222 /nfs/dbraw/zinc/80/92/22/402809222.db2.gz KAQGCWAHNFDUQH-UHFFFAOYSA-N 1 0 308.813 2.115 10 0 DEAERO COc1nc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc2ccccc21 ZINC000195338529 402843030 /nfs/dbraw/zinc/84/30/30/402843030.db2.gz FTHBRRBFGHVVBZ-AWEZNQCLSA-N 1 0 311.385 2.164 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000194696322 402810967 /nfs/dbraw/zinc/81/09/67/402810967.db2.gz PONTVFIFHOYXIH-HNNXBMFYSA-N 1 0 318.808 2.350 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(COC(C)(C)C)on1 ZINC000184007753 402811643 /nfs/dbraw/zinc/81/16/43/402811643.db2.gz MYNDLJQNOVAIJK-GFCCVEGCSA-N 1 0 311.426 2.450 10 0 DEAERO Cc1ccc([C@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)CCO2)o1 ZINC000194806694 402816420 /nfs/dbraw/zinc/81/64/20/402816420.db2.gz RSCIINAZFSEHHI-QGZVFWFLSA-N 1 0 318.417 2.362 10 0 DEAERO COc1ccnc(NC2CC[NH+](C[C@H]3CCC=CO3)CC2)n1 ZINC000194841332 402818091 /nfs/dbraw/zinc/81/80/91/402818091.db2.gz RBQFPRFNIPRIJT-CQSZACIVSA-N 1 0 304.394 2.054 10 0 DEAERO CC[C@@]1(C(=O)N2CCc3c(cccc3NC(C)=O)C2)CCC[NH2+]1 ZINC000184104389 402818445 /nfs/dbraw/zinc/81/84/45/402818445.db2.gz ZEUDQDHQKWPGQI-SFHVURJKSA-N 1 0 315.417 2.062 10 0 DEAERO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000195024968 402827424 /nfs/dbraw/zinc/82/74/24/402827424.db2.gz IQUUBMDWZPDYML-YPMHNXCESA-N 1 0 306.431 2.335 10 0 DEAERO Cc1cc2c(cc1C)[C@@H](C(=O)N1CCC[N@@H+](C3CC3)CC1)CO2 ZINC000184278663 402832764 /nfs/dbraw/zinc/83/27/64/402832764.db2.gz UIDMKRUZRNULKB-KRWDZBQOSA-N 1 0 314.429 2.476 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([S@](C)=O)cc1 ZINC000175787718 402832857 /nfs/dbraw/zinc/83/28/57/402832857.db2.gz PJLAWZLDQUJMTB-XMHCIUCPSA-N 1 0 323.462 2.420 10 0 DEAERO CCCCOC[C@H](O)CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000195183870 402835468 /nfs/dbraw/zinc/83/54/68/402835468.db2.gz PRSMBXVVCCSCIK-QZTJIDSGSA-N 1 0 307.434 2.412 10 0 DEAERO O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000195246109 402839132 /nfs/dbraw/zinc/83/91/32/402839132.db2.gz CGAVVRHWQUYHSO-IXDOHACOSA-N 1 0 315.392 2.337 10 0 DEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)CC2 ZINC000194095144 402783781 /nfs/dbraw/zinc/78/37/81/402783781.db2.gz RVNOLKKWPPNVPR-NSNWQYSKSA-N 1 0 316.449 2.093 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(OCC(C)C)CC2)C1 ZINC000194169699 402786943 /nfs/dbraw/zinc/78/69/43/402786943.db2.gz DMTDDNPSTRSPFN-OAHLLOKOSA-N 1 0 311.470 2.317 10 0 DEAERO Cc1ccc(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000175205626 402788248 /nfs/dbraw/zinc/78/82/48/402788248.db2.gz QRCUQTBXLPNGNH-CQSZACIVSA-N 1 0 307.825 2.367 10 0 DEAERO CCNC(=O)CC[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183686383 402788550 /nfs/dbraw/zinc/78/85/50/402788550.db2.gz FZJMWUAUOMTHKF-CYBMUJFWSA-N 1 0 300.406 2.358 10 0 DEAERO CC[N@H+](CC(=O)Nc1nc2c(cccc2OC)n1C)C1CC1 ZINC000184461703 402845439 /nfs/dbraw/zinc/84/54/39/402845439.db2.gz LORJZQJJBMSTGJ-UHFFFAOYSA-N 1 0 302.378 2.005 10 0 DEAERO CCc1nnc(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C ZINC000195433042 402845732 /nfs/dbraw/zinc/84/57/32/402845732.db2.gz ZSIUENMIHIIRAV-MRXNPFEDSA-N 1 0 319.497 2.321 10 0 DEAERO C[C@@H]1CCC[C@H](C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)C1 ZINC000175981677 402845802 /nfs/dbraw/zinc/84/58/02/402845802.db2.gz JWWSWOHHAIITGT-SQNIBIBYSA-N 1 0 321.509 2.441 10 0 DEAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504864 402848058 /nfs/dbraw/zinc/84/80/58/402848058.db2.gz ZEFGIRQDNGJZHV-ZIAGYGMSSA-N 1 0 306.454 2.293 10 0 DEAERO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515889 402848830 /nfs/dbraw/zinc/84/88/30/402848830.db2.gz AAUOTJHZEUEAMH-HZPDHXFCSA-N 1 0 318.465 2.366 10 0 DEAERO CC(C)C[C@@H](C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000184527157 402849196 /nfs/dbraw/zinc/84/91/96/402849196.db2.gz VRWISZCQLNFQIL-OAHLLOKOSA-N 1 0 318.465 2.132 10 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2.246 10 0 DEAERO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c2cccc(F)c2n1 ZINC000301729205 403671068 /nfs/dbraw/zinc/67/10/68/403671068.db2.gz WQPXTAIIOABKJS-CVEARBPZSA-N 1 0 301.365 2.202 10 0 DEAERO Cc1ccc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)nc1 ZINC000333150681 403678785 /nfs/dbraw/zinc/67/87/85/403678785.db2.gz MJCOCVSJDXZXJR-GDBMZVCRSA-N 1 0 318.421 2.140 10 0 DEAERO Cc1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)nc1 ZINC000333150686 403679176 /nfs/dbraw/zinc/67/91/76/403679176.db2.gz MJCOCVSJDXZXJR-HOCLYGCPSA-N 1 0 318.421 2.140 10 0 DEAERO CCCc1cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)n(C)n1 ZINC000333192854 403689870 /nfs/dbraw/zinc/68/98/70/403689870.db2.gz VNQIVSLYTGNXMT-HNNXBMFYSA-N 1 0 319.453 2.369 10 0 DEAERO C[NH2+]C[C@H]1CCCN(C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000333206706 403695098 /nfs/dbraw/zinc/69/50/98/403695098.db2.gz YZIAGQLIHKZDAX-CYBMUJFWSA-N 1 0 302.422 2.424 10 0 DEAERO Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@@H]1CCc3nnnn3CC1)CC2 ZINC000333510894 403769684 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CO[C@H]1C[C@@H](CO)[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000343977743 403819754 /nfs/dbraw/zinc/81/97/54/403819754.db2.gz JZVFWLKTDWGQKW-JSGCOSHPSA-N 1 0 319.323 2.209 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3nnc(-c4ccccn4)s3)C[C@@H]21 ZINC000333574741 403782800 /nfs/dbraw/zinc/78/28/00/403782800.db2.gz SMGXPAVLTFKGSS-SDDRHHMPSA-N 1 0 301.419 2.164 10 0 DEAERO COc1ccccc1[C@@H]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333641183 403801018 /nfs/dbraw/zinc/80/10/18/403801018.db2.gz IGUHWSWCIZLBAT-CABCVRRESA-N 1 0 317.433 2.336 10 0 DEAERO C[C@H]1CN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C[C@H]1[NH3+] ZINC000333843989 403882454 /nfs/dbraw/zinc/88/24/54/403882454.db2.gz VQXMYUVXQZOCIR-HIAZDOBYSA-N 1 0 311.788 2.324 10 0 DEAERO Cc1ccccc1-n1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)cn1 ZINC000333868369 403892136 /nfs/dbraw/zinc/89/21/36/403892136.db2.gz UDBAHXLTCHDJPO-UHFFFAOYSA-N 1 0 310.401 2.149 10 0 DEAERO Cc1nc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)o1 ZINC000333958292 403906477 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CC1(C)[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)[C@@H]2CCCO[C@H]21 ZINC000328788457 404152410 /nfs/dbraw/zinc/15/24/10/404152410.db2.gz XSLLYZIEGLOTLV-FIDHJVLJSA-N 1 0 323.477 2.347 10 0 DEAERO O=C(CC/C=C/c1ccccc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369566283 404144901 /nfs/dbraw/zinc/14/49/01/404144901.db2.gz DFEIKOZASOMXPN-LHSROVBZSA-N 1 0 314.429 2.459 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC1CCCCC1 ZINC000369651825 404178283 /nfs/dbraw/zinc/17/82/83/404178283.db2.gz ALYWZRVZVLCBHX-CQSZACIVSA-N 1 0 309.454 2.214 10 0 DEAERO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)C1 ZINC000329185765 404259401 /nfs/dbraw/zinc/25/94/01/404259401.db2.gz POUPHKKALOMDNV-LXZKKBNFSA-N 1 0 304.438 2.400 10 0 DEAERO Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)on1 ZINC000342074252 404349636 /nfs/dbraw/zinc/34/96/36/404349636.db2.gz PJHLPGBXLTYZJO-MCIONIFRSA-N 1 0 306.410 2.312 10 0 DEAERO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccncc3F)n1)OC2 ZINC000329371041 404318091 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Cc1ccnc(C2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)n1 ZINC000365273872 404595111 /nfs/dbraw/zinc/59/51/11/404595111.db2.gz KZAJHIMCFZGWNR-OAHLLOKOSA-N 1 0 315.417 2.450 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]C[C@@H]2CC=CCC2)CC(=O)N1C ZINC000330294541 404618063 /nfs/dbraw/zinc/61/80/63/404618063.db2.gz IPVGOFXNQZDDDJ-IIDMSEBBSA-N 1 0 316.449 2.255 10 0 DEAERO O=C(C[N@H+]1CCCC[C@H](CO)C1)NCc1ccc(Cl)cc1 ZINC000374053791 404681382 /nfs/dbraw/zinc/68/13/82/404681382.db2.gz ZGGVLWYMCHPTRE-AWEZNQCLSA-N 1 0 310.825 2.051 10 0 DEAERO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000356886080 404717020 /nfs/dbraw/zinc/71/70/20/404717020.db2.gz SRBCWNQXDMNFPR-JKSUJKDBSA-N 1 0 315.461 2.447 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000415261277 404836110 /nfs/dbraw/zinc/83/61/10/404836110.db2.gz GNNCHQMUCLHDFQ-BLLLJJGKSA-N 1 0 318.421 2.403 10 0 DEAERO CCCC[N@H+](C)CCNC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000359676998 404801644 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C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1COC[C@H]1O ZINC000451229266 404910353 /nfs/dbraw/zinc/91/03/53/404910353.db2.gz LFMFUDUSEWLOLJ-UXTPFJKYSA-N 1 0 301.308 2.458 10 0 DEAERO C[C@@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@H]1[NH3+] ZINC000423952645 404944196 /nfs/dbraw/zinc/94/41/96/404944196.db2.gz MUOMCRRMHHRPNN-LDYMZIIASA-N 1 0 303.189 2.178 10 0 DEAERO C[NH+]1CCC2(CCCN2C(=O)Cn2ncc3ccccc32)CC1 ZINC000367352131 405020132 /nfs/dbraw/zinc/02/01/32/405020132.db2.gz XWXNVORPVADNEA-UHFFFAOYSA-N 1 0 312.417 2.123 10 0 DEAERO Cc1cc(C(=O)NC2CC[NH+](C[C@H](O)C(C)C)CC2)c(C)o1 ZINC000367382835 405033548 /nfs/dbraw/zinc/03/35/48/405033548.db2.gz ZSDWBIFZSNUAAX-INIZCTEOSA-N 1 0 308.422 2.108 10 0 DEAERO Cn1nccc1CC[NH+]1CCC(COc2ccccn2)CC1 ZINC000367252377 404982773 /nfs/dbraw/zinc/98/27/73/404982773.db2.gz MLSYROZXEJHRQN-UHFFFAOYSA-N 1 0 300.406 2.149 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@H](C(=O)OC)CC2)CC1 ZINC000435460434 404983450 /nfs/dbraw/zinc/98/34/50/404983450.db2.gz ROSVHEHNSBEWGP-WKILWMFISA-N 1 0 324.465 2.204 10 0 DEAERO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCC12CCC2 ZINC000435615941 404996051 /nfs/dbraw/zinc/99/60/51/404996051.db2.gz JGHBSJKHJKCBAB-UHFFFAOYSA-N 1 0 314.433 2.384 10 0 DEAERO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000361270247 405000963 /nfs/dbraw/zinc/00/09/63/405000963.db2.gz DKYKNLUIOMORJR-XUSGNXJCSA-N 1 0 311.447 2.499 10 0 DEAERO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@](C)(O)C1 ZINC000408051772 405098868 /nfs/dbraw/zinc/09/88/68/405098868.db2.gz LRJVYQYHUBKSRQ-RDJZCZTQSA-N 1 0 311.470 2.053 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000451806741 405045546 /nfs/dbraw/zinc/04/55/46/405045546.db2.gz FQWJJKFFJVGIAX-XHDPSFHLSA-N 1 0 304.390 2.231 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2ncccc2N)C[N@@H+]1Cc1ccccc1 ZINC000398036985 405060456 /nfs/dbraw/zinc/06/04/56/405060456.db2.gz JDVQFNVVSRRDKK-ZFWWWQNUSA-N 1 0 310.401 2.057 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000361456534 405082319 /nfs/dbraw/zinc/08/23/19/405082319.db2.gz IDPQZKAXCQELFX-RDJZCZTQSA-N 1 0 318.465 2.312 10 0 DEAERO Cc1nc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000408098447 405111623 /nfs/dbraw/zinc/11/16/23/405111623.db2.gz FXIOHNQILXASGS-SUHUHFCYSA-N 1 0 308.451 2.439 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCOc2cc(O)ccc2C1 ZINC000408105204 405114191 /nfs/dbraw/zinc/11/41/91/405114191.db2.gz GTJHJGULRDFZBR-CQSZACIVSA-N 1 0 318.417 2.378 10 0 DEAERO COc1nc(C)ccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000408126817 405117834 /nfs/dbraw/zinc/11/78/34/405117834.db2.gz SIAOMKWLRKDCCD-AGUYFDCRSA-N 1 0 303.406 2.144 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)NCC2C[C@@H](C)O[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000408181476 405132974 /nfs/dbraw/zinc/13/29/74/405132974.db2.gz CYDPOVDIXSAITC-KYEXWDHISA-N 1 0 309.454 2.114 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc([S@](C)=O)c1 ZINC000408296957 405165503 /nfs/dbraw/zinc/16/55/03/405165503.db2.gz FBPHBXOCUJOMBQ-BWFKNJDFSA-N 1 0 321.446 2.124 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)c2ccc3c(c2O)OC(C)(C)C3)CC[N@@H+]1C ZINC000408410587 405200600 /nfs/dbraw/zinc/20/06/00/405200600.db2.gz VCFIFIAMXSZUQM-AAEUAGOBSA-N 1 0 318.417 2.318 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3nc[nH]c3cc2F)CC[N@@H+]1C ZINC000408464600 405212880 /nfs/dbraw/zinc/21/28/80/405212880.db2.gz FJVKRGHOFAJHNA-MNOVXSKESA-N 1 0 304.369 2.257 10 0 DEAERO Cc1nnc([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)[nH]1 ZINC000408473562 405216021 /nfs/dbraw/zinc/21/60/21/405216021.db2.gz XWHUZRBHAKAUSU-CQSZACIVSA-N 1 0 310.361 2.128 10 0 DEAERO COC1([C@@H](C)[NH2+]C[C@@H](Cc2ccccc2)N(C)C)CCOCC1 ZINC000453050709 405279417 /nfs/dbraw/zinc/27/94/17/405279417.db2.gz ADIHHNNKNVJZIE-SJLPKXTDSA-N 1 0 320.477 2.333 10 0 DEAERO c1c2cccnc2oc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000449008968 405494918 /nfs/dbraw/zinc/49/49/18/405494918.db2.gz SCWYDUMMUSGNRP-UHFFFAOYSA-N 1 0 314.433 2.041 10 0 DEAERO Cc1nn(C)cc1CC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000448690620 405436995 /nfs/dbraw/zinc/43/69/95/405436995.db2.gz NHCVJSWNLKIMOZ-QGZVFWFLSA-N 1 0 320.481 2.144 10 0 DEAERO CC[NH+](CC)CCN(CC(C)C)C(=O)Cc1cn(C)nc1C ZINC000448744718 405443496 /nfs/dbraw/zinc/44/34/96/405443496.db2.gz CGPYGZYFLCXJHP-UHFFFAOYSA-N 1 0 308.470 2.097 10 0 DEAERO COC[C@H](C)C[NH2+]Cc1snc(OC)c1Br ZINC000638445363 405472676 /nfs/dbraw/zinc/47/26/76/405472676.db2.gz NJAVKWSHZNLKRT-SSDOTTSWSA-N 1 0 309.229 2.286 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1ccccc1Br ZINC000638569153 405550003 /nfs/dbraw/zinc/55/00/03/405550003.db2.gz BPEYXPMHJBTCEE-QWHCGFSZSA-N 1 0 311.223 2.248 10 0 DEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)CC[C@@H]2C1 ZINC000449553815 405610806 /nfs/dbraw/zinc/61/08/06/405610806.db2.gz MWLHKKNEOJFJRV-SOLBZPMBSA-N 1 0 312.417 2.250 10 0 DEAERO C[N@H+](Cc1ccc(-n2cncn2)cc1)[C@H](CO)CC(C)(C)C ZINC000449585633 405628129 /nfs/dbraw/zinc/62/81/29/405628129.db2.gz LKPHNUNBKMGVOB-INIZCTEOSA-N 1 0 302.422 2.496 10 0 DEAERO Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CCO[C@@H]3C(C)C)cc12 ZINC000557833734 405631003 /nfs/dbraw/zinc/63/10/03/405631003.db2.gz VIHYZAYBFRYHBT-GOEBONIOSA-N 1 0 302.422 2.427 10 0 DEAERO COc1cc(OC)c(C[C@@H](C)[NH2+]C2CC(OC)C2)c(OC)c1 ZINC000449471065 405576121 /nfs/dbraw/zinc/57/61/21/405576121.db2.gz ZHJKVCSEFNBCOL-PNESKVBLSA-N 1 0 309.406 2.410 10 0 DEAERO [NH3+]CCCOCCNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000638656221 405597914 /nfs/dbraw/zinc/59/79/14/405597914.db2.gz FJNCSUWPSCBHRD-UHFFFAOYSA-N 1 0 305.205 2.018 10 0 DEAERO CC(=O)c1ccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000580536566 405638019 /nfs/dbraw/zinc/63/80/19/405638019.db2.gz WHQRFAZBWYKAGF-KRWDZBQOSA-N 1 0 301.390 2.497 10 0 DEAERO CN(CCCN1CC[NH+](C)CC1)C(=O)NCC1CCCCCC1 ZINC000459034894 405705781 /nfs/dbraw/zinc/70/57/81/405705781.db2.gz VPDPXPCBXZEDCX-UHFFFAOYSA-N 1 0 324.513 2.236 10 0 DEAERO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)C1CCOCC1 ZINC000558971414 405714719 /nfs/dbraw/zinc/71/47/19/405714719.db2.gz NGCIOBSXAIHTMC-ULQDDVLXSA-N 1 0 311.466 2.349 10 0 DEAERO C[C@H]1CN(C(=O)c2ccc(F)c(Br)c2)C[C@@H]1C[NH3+] ZINC000638885030 405739842 /nfs/dbraw/zinc/73/98/42/405739842.db2.gz AKWAXEPWGCDRJC-WPRPVWTQSA-N 1 0 315.186 2.255 10 0 DEAERO CO[C@@H]1C[C@@H](c2nnc3cnccn32)[N@H+](CCC2CCCC2)C1 ZINC000583618758 405776983 /nfs/dbraw/zinc/77/69/83/405776983.db2.gz DROLBRPPEPAJQZ-CABCVRRESA-N 1 0 315.421 2.466 10 0 DEAERO COC1CCN(C(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)CC1 ZINC000530424586 405800414 /nfs/dbraw/zinc/80/04/14/405800414.db2.gz OLMOQGDSRHILKF-GFCCVEGCSA-N 1 0 305.422 2.275 10 0 DEAERO CCOc1cc(C[N@H+](C)CCNC(C)=O)ccc1OC(F)F ZINC000560068390 405767094 /nfs/dbraw/zinc/76/70/94/405767094.db2.gz SYQGJZKSNHBPOQ-UHFFFAOYSA-N 1 0 316.348 2.255 10 0 DEAERO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2nccn2C)cc1 ZINC000583615603 405774405 /nfs/dbraw/zinc/77/44/05/405774405.db2.gz OAWZJPXGRWBZTQ-SJLPKXTDSA-N 1 0 315.417 2.301 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1Br ZINC000639096108 405878605 /nfs/dbraw/zinc/87/86/05/405878605.db2.gz AOIYTGAAEPEHAB-HTQZYQBOSA-N 1 0 321.240 2.165 10 0 DEAERO CC(C)(O)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000633888085 405890242 /nfs/dbraw/zinc/89/02/42/405890242.db2.gz KOQNHZIGQTYNQK-MRXNPFEDSA-N 1 0 304.434 2.318 10 0 DEAERO COc1nsc(C[NH2+]CCC2CC(O)C2)c1Br ZINC000639122964 405901929 /nfs/dbraw/zinc/90/19/29/405901929.db2.gz VJILCQUOPFAEJJ-UHFFFAOYSA-N 1 0 321.240 2.165 10 0 DEAERO CC(=O)[C@@](C)(O)CN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000450485662 405924012 /nfs/dbraw/zinc/92/40/12/405924012.db2.gz JXVICVYUJWLTJY-ABHNRTSZSA-N 1 0 310.482 2.159 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccccc1C(F)(F)F ZINC000459710802 406015185 /nfs/dbraw/zinc/01/51/85/406015185.db2.gz ZPPRNYFULFFNFD-GHMZBOCLSA-N 1 0 314.311 2.009 10 0 DEAERO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCC(C2CCOCC2)CC1 ZINC000562370921 405995510 /nfs/dbraw/zinc/99/55/10/405995510.db2.gz MZBFADFSDWULAA-QGZVFWFLSA-N 1 0 306.450 2.278 10 0 DEAERO CN(Cc1ncc(Br)s1)[C@@H]1C[NH+]2CCC1CC2 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MHVIZNIPUGLNRR-CQSZACIVSA-N 1 0 316.854 2.320 10 0 DEAERO O=C(c1ccc(Br)cn1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632857207 406293668 /nfs/dbraw/zinc/29/36/68/406293668.db2.gz BLMCHHFUEDOVAH-ZWNOBZJWSA-N 1 0 324.222 2.058 10 0 DEAERO CC[C@H](Oc1cccc(C)c1)C(=O)NCCNc1cc[nH+]cc1 ZINC000488580092 406332459 /nfs/dbraw/zinc/33/24/59/406332459.db2.gz KLLTVAIFZUNLHN-KRWDZBQOSA-N 1 0 313.401 2.198 10 0 DEAERO O=C(c1ncccc1Br)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632862322 406296581 /nfs/dbraw/zinc/29/65/81/406296581.db2.gz AWHBXEAIBSQZLD-ZYHUDNBSSA-N 1 0 324.222 2.058 10 0 DEAERO O=C(c1cncc(Br)c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632878566 406304656 /nfs/dbraw/zinc/30/46/56/406304656.db2.gz ULNPAWYPLBSTHV-ZWNOBZJWSA-N 1 0 324.222 2.058 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)Nc2cccc3c2OCCO3)CC1 ZINC000547287647 406395367 /nfs/dbraw/zinc/39/53/67/406395367.db2.gz HYIYIIKBLBSHRT-UHFFFAOYSA-N 1 0 317.389 2.231 10 0 DEAERO COc1cccc2c1CC[N@H+](C[C@H](O)CCOC(C)C)CC2 ZINC000489464941 406409188 /nfs/dbraw/zinc/40/91/88/406409188.db2.gz QXRDXIIUEWKBID-MRXNPFEDSA-N 1 0 307.434 2.272 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cncc(Br)c1 ZINC000569121953 292392144 /nfs/dbraw/zinc/39/21/44/292392144.db2.gz OLFPHGBGPUSXNG-SKDRFNHKSA-N 1 0 312.211 2.116 10 0 DEAERO Cc1ccccc1[C@@H]1CC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000523126027 406418938 /nfs/dbraw/zinc/41/89/38/406418938.db2.gz WOMGPMLJVTUTEM-FGTMMUONSA-N 1 0 319.445 2.341 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC000570680023 406425931 /nfs/dbraw/zinc/42/59/31/406425931.db2.gz GWKHQYRAXTZEBH-SFHVURJKSA-N 1 0 323.396 2.495 10 0 DEAERO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCOCC2CCC2)C1 ZINC000521949110 406377981 /nfs/dbraw/zinc/37/79/81/406377981.db2.gz HDISYZSZOOEEEY-QGZVFWFLSA-N 1 0 323.481 2.176 10 0 DEAERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccnc2ccncc21 ZINC000548075739 406477967 /nfs/dbraw/zinc/47/79/67/406477967.db2.gz RINBTISWBFWEEZ-INIZCTEOSA-N 1 0 312.417 2.480 10 0 DEAERO CC(C)[C@H]1CCCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637920611 406478164 /nfs/dbraw/zinc/47/81/64/406478164.db2.gz OGQWLDKVGBVGHR-DLBZAZTESA-N 1 0 303.450 2.093 10 0 DEAERO CC[C@H]1CCCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000637935767 406485138 /nfs/dbraw/zinc/48/51/38/406485138.db2.gz UVNRTTDTKVLZRU-DOTOQJQBSA-N 1 0 303.450 2.094 10 0 DEAERO C[C@@H](NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000637868002 406454304 /nfs/dbraw/zinc/45/43/04/406454304.db2.gz LFWNSPOWOQCFMF-CRAIPNDOSA-N 1 0 311.429 2.323 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000490355862 406462941 /nfs/dbraw/zinc/46/29/41/406462941.db2.gz WEGPIPHEDXZJJM-FRRDWIJNSA-N 1 0 307.442 2.370 10 0 DEAERO Cc1csc(C2([NH2+]C[C@@H](C)CS(C)(=O)=O)CCC2)n1 ZINC000548626802 406532816 /nfs/dbraw/zinc/53/28/16/406532816.db2.gz MCJNWPYDUYSRHX-SNVBAGLBSA-N 1 0 302.465 2.101 10 0 DEAERO C[C@H]1CCCCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638313509 406693107 /nfs/dbraw/zinc/69/31/07/406693107.db2.gz XJGBCSKFEFTSTQ-RDJZCZTQSA-N 1 0 303.450 2.094 10 0 DEAERO c1cnn(C2CC([NH2+]C3CCN(Cc4ccncc4)CC3)C2)c1 ZINC000638383414 406738865 /nfs/dbraw/zinc/73/88/65/406738865.db2.gz GBZWIKQSJUMEAL-UHFFFAOYSA-N 1 0 311.433 2.236 10 0 DEAERO CCC(C)(C)[C@@H](C)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638408512 406755306 /nfs/dbraw/zinc/75/53/06/406755306.db2.gz ZJSNRFFSIDMTOV-ZBFHGGJFSA-N 1 0 305.466 2.387 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCOC[C@@H]2C)CC1 ZINC000553657056 406769754 /nfs/dbraw/zinc/76/97/54/406769754.db2.gz WNINGEFGPQMQDJ-GOEBONIOSA-N 1 0 311.470 2.080 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCOC[C@@H]2C)CC1 ZINC000553657057 406770130 /nfs/dbraw/zinc/77/01/30/406770130.db2.gz WNINGEFGPQMQDJ-HOCLYGCPSA-N 1 0 311.470 2.080 10 0 DEAERO C1CC[NH+]([C@H]2CCCCN(c3nc(C4CCOCC4)no3)C2)C1 ZINC000571144752 292528417 /nfs/dbraw/zinc/52/84/17/292528417.db2.gz OWUPWUQGOCTDOE-HNNXBMFYSA-N 1 0 320.437 2.418 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000129051088 196015111 /nfs/dbraw/zinc/01/51/11/196015111.db2.gz LXQPRXXPHYVTJO-VQHPVUNQSA-N 1 0 316.445 2.089 10 0 DEAERO Cc1ccccc1S(=O)(=O)N(C)c1ccccc1C(N)=[NH2+] ZINC000129064020 196016789 /nfs/dbraw/zinc/01/67/89/196016789.db2.gz OBRDJKZLIBPYGN-UHFFFAOYSA-N 1 0 303.387 2.104 10 0 DEAERO COc1cc(C2(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)ccc1C ZINC000129393998 196044712 /nfs/dbraw/zinc/04/47/12/196044712.db2.gz LBBJTNIPGVHWCU-XYPWUTKMSA-N 1 0 314.429 2.434 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])c(Cl)c2)C[C@@H]1C ZINC000129715762 196070607 /nfs/dbraw/zinc/07/06/07/196070607.db2.gz HJIYSQGOTSGEQY-MNOVXSKESA-N 1 0 316.854 2.465 10 0 DEAERO CCCc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)n2ncnc2n1 ZINC000129800117 196076836 /nfs/dbraw/zinc/07/68/36/196076836.db2.gz LSMHLWDXILVPIU-GXTWGEPZSA-N 1 0 302.426 2.217 10 0 DEAERO CCCNc1ncc(Br)c(N[C@@H]2CCN(C)C2)n1 ZINC000130637194 196097806 /nfs/dbraw/zinc/09/78/06/196097806.db2.gz DUPJJAQJAJIHKP-SECBINFHSA-N 1 0 314.231 2.177 10 0 DEAERO [NH3+]C1CCN([C@@H]2CCN(C(=O)c3ccc(Cl)s3)C2)CC1 ZINC000130735587 196105498 /nfs/dbraw/zinc/10/54/98/196105498.db2.gz FFPIQHZSHLANQG-LLVKDONJSA-N 1 0 313.854 2.039 10 0 DEAERO CC[C@@H]1N[C@@H](c2cccs2)N(C[C@@H](C)[NH+]2CCCC2)C1=O ZINC000130779738 196108918 /nfs/dbraw/zinc/10/89/18/196108918.db2.gz RJWUYDPUSUJIGM-VNHYZAJKSA-N 1 0 307.463 2.441 10 0 DEAERO CCCn1ncnc1C[C@H]([NH3+])c1ccc(Br)cn1 ZINC000130795194 196111414 /nfs/dbraw/zinc/11/14/14/196111414.db2.gz HHRLLPUMIBHUFF-JTQLQIEISA-N 1 0 310.199 2.088 10 0 DEAERO CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000130866793 196117649 /nfs/dbraw/zinc/11/76/49/196117649.db2.gz FQCVTILYHKLUHM-MRXNPFEDSA-N 1 0 310.463 2.180 10 0 DEAERO CCc1nsc(Sc2nc3c(cc2C(N)=[NH2+])CCC3)n1 ZINC000130940238 196124962 /nfs/dbraw/zinc/12/49/62/196124962.db2.gz VQRODIPTZLUONY-UHFFFAOYSA-N 1 0 305.432 2.419 10 0 DEAERO Cc1cc(C[NH3+])cc(S(=O)(=O)NCCCC(F)(F)F)c1C ZINC000131230578 196152258 /nfs/dbraw/zinc/15/22/58/196152258.db2.gz VWZFGHIHKPQEIY-UHFFFAOYSA-N 1 0 324.368 2.383 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1Sc1nc(C)ns1)OCCO2 ZINC000131301664 196159268 /nfs/dbraw/zinc/15/92/68/196159268.db2.gz YYUUIXAXSIEWSZ-QWRGUYRKSA-N 1 0 315.464 2.212 10 0 DEAERO O[C@@H](C[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1F ZINC000131403763 196165542 /nfs/dbraw/zinc/16/55/42/196165542.db2.gz CZVPFGZMDSQGTB-SKDRFNHKSA-N 1 0 304.159 2.000 10 0 DEAERO COCCN(CCOC)[C@H](C[NH3+])c1ccc(C(F)F)cc1 ZINC000131423150 196166901 /nfs/dbraw/zinc/16/69/01/196166901.db2.gz GCIRYFWUIICLGM-CQSZACIVSA-N 1 0 302.365 2.219 10 0 DEAERO CCCn1ncc(Br)c1[C@@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000131539352 196177675 /nfs/dbraw/zinc/17/76/75/196177675.db2.gz KBDLLXUUOFEQNM-MFKMUULPSA-N 1 0 316.243 2.263 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(OCCCS(C)(=O)=O)c(F)c1 ZINC000131739926 196195390 /nfs/dbraw/zinc/19/53/90/196195390.db2.gz SRQABLRSTPEWCA-NSHDSACASA-N 1 0 303.399 2.310 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000131852295 196204274 /nfs/dbraw/zinc/20/42/74/196204274.db2.gz KBKQFCWACOQMMU-MLVVQWTHSA-N 1 0 315.417 2.281 10 0 DEAERO C[C@@H]([NH2+]CCNC(=O)N(C)C)c1ccc(Br)cc1 ZINC000132281390 196241408 /nfs/dbraw/zinc/24/14/08/196241408.db2.gz DVKHOBNEUMPJNU-SNVBAGLBSA-N 1 0 314.227 2.371 10 0 DEAERO CCNc1ncc(Br)c(NCCCC[NH+](C)C)n1 ZINC000132305638 196243787 /nfs/dbraw/zinc/24/37/87/196243787.db2.gz HWSGHMWJNWAYIB-UHFFFAOYSA-N 1 0 316.247 2.425 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2sc3cccnc3c2N)C1 ZINC000132312157 196244600 /nfs/dbraw/zinc/24/46/00/196244600.db2.gz XXYDOWVUEJNIGK-SNVBAGLBSA-N 1 0 304.419 2.045 10 0 DEAERO COc1ccc(Br)c(C[C@H](O)C2CC[NH2+]CC2)c1 ZINC000133000423 196303768 /nfs/dbraw/zinc/30/37/68/196303768.db2.gz YYDMVAZSALIZLX-AWEZNQCLSA-N 1 0 314.223 2.361 10 0 DEAERO CCC[NH2+][C@H](Cc1cc(C)ccc1OC)[C@@H](C)S(C)(=O)=O ZINC000133155816 196317435 /nfs/dbraw/zinc/31/74/35/196317435.db2.gz XDPRCBMIBMWZLP-UKRRQHHQSA-N 1 0 313.463 2.347 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CN(Cc2csc(Br)c2)CCO1 ZINC000133323275 196329193 /nfs/dbraw/zinc/32/91/93/196329193.db2.gz RRYQCXUGTGMFCK-SCZZXKLOSA-N 1 0 305.241 2.059 10 0 DEAERO C[C@H]([NH2+]CC(C)(CO)CO)c1ccccc1Br ZINC000133724288 196332035 /nfs/dbraw/zinc/33/20/35/196332035.db2.gz CMYCRVKZVCESEM-JTQLQIEISA-N 1 0 302.212 2.091 10 0 DEAERO Cc1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)c2ccccc2n1 ZINC000133958606 196349613 /nfs/dbraw/zinc/34/96/13/196349613.db2.gz LUEOXKJIECROJD-CQSZACIVSA-N 1 0 304.415 2.210 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H](COc2ncc(Cl)cc2Br)O1 ZINC000133853039 196340711 /nfs/dbraw/zinc/34/07/11/196340711.db2.gz NZYKSGPZYXQVJF-APPZFPTMSA-N 1 0 321.602 2.253 10 0 DEAERO CCOC(=O)Cc1csc(N2CCC(C[NH+](C)C)CC2)n1 ZINC000133875724 196342034 /nfs/dbraw/zinc/34/20/34/196342034.db2.gz UISMBFVXYDWLPY-UHFFFAOYSA-N 1 0 311.451 2.027 10 0 DEAERO Cc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCCS1(=O)=O ZINC000133910157 196345289 /nfs/dbraw/zinc/34/52/89/196345289.db2.gz GYWFPTITWZWJNS-HIFRSBDPSA-N 1 0 309.431 2.376 10 0 DEAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)NCC[S@](=O)CC)c1 ZINC000134089098 196359683 /nfs/dbraw/zinc/35/96/83/196359683.db2.gz WGCDBDUAWLZNOG-QKVFXAPYSA-N 1 0 311.451 2.247 10 0 DEAERO C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H](CO)C(C)(C)C ZINC000134405023 196387412 /nfs/dbraw/zinc/38/74/12/196387412.db2.gz CINRYTRBNNFSRD-RYUDHWBXSA-N 1 0 324.387 2.126 10 0 DEAERO C[C@](C[NH3+])(Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000134476036 196395066 /nfs/dbraw/zinc/39/50/66/196395066.db2.gz OUFIMFPEISHFBJ-MRXNPFEDSA-N 1 0 304.415 2.376 10 0 DEAERO CC[C@H]1CCSC(NCc2ccc(S(C)(=O)=O)cc2)=[NH+]1 ZINC000134481339 196395345 /nfs/dbraw/zinc/39/53/45/196395345.db2.gz YHPKUUOCXACPJZ-LBPRGKRZSA-N 1 0 312.460 2.451 10 0 DEAERO COC(=O)c1ccc(Cl)cc1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134490911 196396663 /nfs/dbraw/zinc/39/66/63/196396663.db2.gz SLKSWIJRDSTGBG-JTQLQIEISA-N 1 0 310.781 2.455 10 0 DEAERO COC(=O)c1sccc1NC(=O)C(C)(C)[C@H]1CCC[NH2+]C1 ZINC000135071135 196442260 /nfs/dbraw/zinc/44/22/60/196442260.db2.gz RNXVREJDWOIQSZ-JTQLQIEISA-N 1 0 310.419 2.499 10 0 DEAERO C[C@H](C[NH3+])CN(C)c1ccnc2cc(Br)cnc21 ZINC000135515183 196482453 /nfs/dbraw/zinc/48/24/53/196482453.db2.gz GQBSLCZQOQRADK-SECBINFHSA-N 1 0 309.211 2.423 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1Oc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000136418711 196536600 /nfs/dbraw/zinc/53/66/00/196536600.db2.gz COYXESMVMLZTSJ-MNOVXSKESA-N 1 0 309.309 2.239 10 0 DEAERO COCCCN(CCO)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000189914762 225068539 /nfs/dbraw/zinc/06/85/39/225068539.db2.gz DYLXHNKCCHRXNX-UHFFFAOYSA-N 1 0 320.389 2.181 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(I)cn1 ZINC000420252038 229620541 /nfs/dbraw/zinc/62/05/41/229620541.db2.gz YYCGBLCXPGJCBT-SCZZXKLOSA-N 1 0 317.174 2.239 10 0 DEAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876276 424849551 /nfs/dbraw/zinc/84/95/51/424849551.db2.gz SHIGFVAOIGEGMK-HUUCEWRRSA-N 1 0 320.481 2.368 10 0 DEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@H](O)c3ccccc3)C2)n1 ZINC000105885078 424849560 /nfs/dbraw/zinc/84/95/60/424849560.db2.gz XZHWRJYVZGSIBB-AEFFLSMTSA-N 1 0 314.433 2.341 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NCc1cccc(O)c1 ZINC000194476658 424875843 /nfs/dbraw/zinc/87/58/43/424875843.db2.gz LVAFCRLSYVRYHM-UHFFFAOYSA-N 1 0 314.385 2.263 10 0 DEAERO Brc1cccc2c1CC[C@H]2[NH2+]C1COCCOC1 ZINC000381280099 424909136 /nfs/dbraw/zinc/90/91/36/424909136.db2.gz UQRRQCNHHDJRQP-CQSZACIVSA-N 1 0 312.207 2.441 10 0 DEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000384066689 424910532 /nfs/dbraw/zinc/91/05/32/424910532.db2.gz IMXQTMGBEDYKOZ-SJORKVTESA-N 1 0 304.434 2.425 10 0 DEAERO O[C@H](C[NH2+]Cc1ccsc1Br)COCC1CC1 ZINC000388411349 424914301 /nfs/dbraw/zinc/91/43/01/424914301.db2.gz XXFWZWNSCXAZNZ-LLVKDONJSA-N 1 0 320.252 2.388 10 0 DEAERO Cc1ccc(Br)c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000389877599 424916281 /nfs/dbraw/zinc/91/62/81/424916281.db2.gz VWOKTFACVFXXOW-MFKMUULPSA-N 1 0 311.223 2.485 10 0 DEAERO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)nn1C1CCCCC1 ZINC000333313732 424921009 /nfs/dbraw/zinc/92/10/09/424921009.db2.gz LZUMWQMYUQSEGF-IUODEOHRSA-N 1 0 319.453 2.816 10 0 DEAERO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)COCc2ccccc2)C1 ZINC000404327426 424926495 /nfs/dbraw/zinc/92/64/95/424926495.db2.gz APRSXJOQESJMOH-MRXNPFEDSA-N 1 0 310.397 2.367 10 0 DEAERO [NH3+]CC1(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000404641616 424927820 /nfs/dbraw/zinc/92/78/20/424927820.db2.gz MADNKVSJSSLPRH-UHFFFAOYSA-N 1 0 323.245 2.401 10 0 DEAERO C[C@H](OCc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000404549729 424928042 /nfs/dbraw/zinc/92/80/42/424928042.db2.gz OXNDCIFUGITCNU-GOEBONIOSA-N 1 0 302.418 2.383 10 0 DEAERO CCN1CCN(C(=O)c2nscc2Br)C[C@@H]1C ZINC000404786551 424929071 /nfs/dbraw/zinc/92/90/71/424929071.db2.gz FQHNDHUMVQZTFW-QMMMGPOBSA-N 1 0 318.240 2.072 10 0 DEAERO CC[NH+]1CCC(NC(=O)c2nscc2Br)CC1 ZINC000404837592 424929717 /nfs/dbraw/zinc/92/97/17/424929717.db2.gz MORROBJMEQLVPQ-UHFFFAOYSA-N 1 0 318.240 2.120 10 0 DEAERO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000571620663 424932677 /nfs/dbraw/zinc/93/26/77/424932677.db2.gz VEGYNTZCRIILCZ-CHWSQXEVSA-N 1 0 320.437 3.063 10 0 DEAERO CC[C@H](C)n1nc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1C ZINC000408113238 424933420 /nfs/dbraw/zinc/93/34/20/424933420.db2.gz UKMHVDGNEANNAF-AEGPPILISA-N 1 0 319.453 2.863 10 0 DEAERO CC(C)[NH+]1CCN(C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000574508068 424943699 /nfs/dbraw/zinc/94/36/99/424943699.db2.gz RAMKRDGQSZYZOM-UHFFFAOYSA-N 1 0 320.437 3.064 10 0 DEAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)N1CCc2sccc2C1 ZINC000077369937 267375680 /nfs/dbraw/zinc/37/56/80/267375680.db2.gz BHIOMOIQRYUMEU-CHWSQXEVSA-N 1 0 308.447 2.132 10 0 DEAERO Cc1ccc(/C=C/CC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000084760487 267385361 /nfs/dbraw/zinc/38/53/61/267385361.db2.gz HJUZFOVUOQJLRU-LAQIPUCWSA-N 1 0 315.461 2.150 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000180800861 267602227 /nfs/dbraw/zinc/60/22/27/267602227.db2.gz LHLLQQNJWDJBAR-HUUCEWRRSA-N 1 0 322.453 2.427 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000180800882 267602369 /nfs/dbraw/zinc/60/23/69/267602369.db2.gz LHLLQQNJWDJBAR-CABCVRRESA-N 1 0 322.453 2.427 10 0 DEAERO [NH3+]C[C@@H](NC(=O)CCOc1cccc(Cl)c1)C(F)(F)F ZINC000655509959 425586863 /nfs/dbraw/zinc/58/68/63/425586863.db2.gz QNLBSPQWDNEMBE-SNVBAGLBSA-N 1 0 310.703 2.115 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2nnc(CC(C)C)s2)C1 ZINC000194320489 267782809 /nfs/dbraw/zinc/78/28/09/267782809.db2.gz PXWJUDWJTFCPBO-LLVKDONJSA-N 1 0 311.455 2.342 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)C[C@@]1(C)C[NH3+] ZINC000312644199 268837083 /nfs/dbraw/zinc/83/70/83/268837083.db2.gz JVJWBRSZRICTKL-NOZJJQNGSA-N 1 0 320.817 2.085 10 0 DEAERO COc1cccc([C@H](C)NC(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000333240658 268910754 /nfs/dbraw/zinc/91/07/54/268910754.db2.gz DUIBYYPAWSGEIJ-ZDUSSCGKSA-N 1 0 303.406 2.294 10 0 DEAERO Cc1ncc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c(C2CC2)n1 ZINC000333452818 268948636 /nfs/dbraw/zinc/94/86/36/268948636.db2.gz NXEYITAJTUUCRT-OLZOCXBDSA-N 1 0 303.410 2.267 10 0 DEAERO O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N[C@@H]1CCCC[NH2+]C1 ZINC000333698704 268979201 /nfs/dbraw/zinc/97/92/01/268979201.db2.gz DCQUIMMSEOGDHG-JTNHKYCSSA-N 1 0 309.360 2.262 10 0 DEAERO O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000333886611 269000953 /nfs/dbraw/zinc/00/09/53/269000953.db2.gz XIENAJJGUBKJFD-OAHLLOKOSA-N 1 0 321.465 2.406 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333894673 269001062 /nfs/dbraw/zinc/00/10/62/269001062.db2.gz HPXKDKMJXAQIAJ-MJBXVCDLSA-N 1 0 303.406 2.007 10 0 DEAERO C[C@H]1CN(C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000358031659 269040820 /nfs/dbraw/zinc/04/08/20/269040820.db2.gz YUARFLIERQFMHM-FZMZJTMJSA-N 1 0 313.239 2.368 10 0 DEAERO CC(C)[C@H](CO)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000394045736 269100380 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302.418 2.398 10 0 DEAERO c1ccc([C@H]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)O2)cc1 ZINC000423119713 304856409 /nfs/dbraw/zinc/85/64/09/304856409.db2.gz DINSVBQGIDZOLM-MKXGPGLRSA-N 1 0 316.445 2.263 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NCc2cccc(C)n2)CC1 ZINC000174148501 325738635 /nfs/dbraw/zinc/73/86/35/325738635.db2.gz LHDQILWTBUMUBS-UHFFFAOYSA-N 1 0 304.438 2.311 10 0 DEAERO COc1cccc(C[NH2+]CC[C@H]2COc3ccccc3O2)n1 ZINC000574892414 326197383 /nfs/dbraw/zinc/19/73/83/326197383.db2.gz QHHCEKLPPUPAEH-AWEZNQCLSA-N 1 0 300.358 2.410 10 0 DEAERO CO[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(O)cc1 ZINC000576413066 326292434 /nfs/dbraw/zinc/29/24/34/326292434.db2.gz AJLRSPOGWRTKQI-QGZVFWFLSA-N 1 0 318.417 2.070 10 0 DEAERO CCOc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)n1 ZINC000577126305 326344739 /nfs/dbraw/zinc/34/47/39/326344739.db2.gz KRDFGDRBCJVCJS-RHSMWYFYSA-N 1 0 320.433 2.138 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000187719521 332983457 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/nfs/dbraw/zinc/52/96/70/520529670.db2.gz HHFPFKMDVJQIHP-INIZCTEOSA-N 1 0 306.454 2.386 10 0 DEAERO CCOc1ccc(CNC(=O)NCC2CC[NH+](C)CC2)cc1F ZINC000106339424 520988843 /nfs/dbraw/zinc/98/88/43/520988843.db2.gz MBABPVKNJPWAAE-UHFFFAOYSA-N 1 0 323.412 2.365 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCOc1ccc(F)cc1F ZINC000106776044 521587856 /nfs/dbraw/zinc/58/78/56/521587856.db2.gz PEVKCOBOSUULGH-CQSZACIVSA-N 1 0 312.360 2.334 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)CCO1 ZINC000127955777 521882628 /nfs/dbraw/zinc/88/26/28/521882628.db2.gz DYSYXTCHDSKIGY-KRWDZBQOSA-N 1 0 314.385 2.349 10 0 DEAERO CCc1cnc(CCNC(=O)C[C@H](C)C2CC[NH2+]CC2)s1 ZINC000237008757 522003666 /nfs/dbraw/zinc/00/36/66/522003666.db2.gz BKAZECXMKZSDQX-LBPRGKRZSA-N 1 0 309.479 2.390 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)c1cnn2c1CCCC2)c1cccs1 ZINC000126721431 522025737 /nfs/dbraw/zinc/02/57/37/522025737.db2.gz ZCPYGWNIPRASFH-AWEZNQCLSA-N 1 0 318.446 2.314 10 0 DEAERO CC[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCCO1 ZINC000245925167 522436674 /nfs/dbraw/zinc/43/66/74/522436674.db2.gz PJVNQNKLVXVINZ-GWONACJQSA-N 1 0 309.454 2.259 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000105922602 522595038 /nfs/dbraw/zinc/59/50/38/522595038.db2.gz GAMGQJJCPOMWPN-CABCVRRESA-N 1 0 309.454 2.258 10 0 DEAERO CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000156677666 522651969 /nfs/dbraw/zinc/65/19/69/522651969.db2.gz UFLYBMXXZYYTES-CQSZACIVSA-N 1 0 316.453 2.049 10 0 DEAERO CCc1noc([C@@H](C)N2CC[NH+](CCCOC(C)C)CC2)n1 ZINC000105916392 522904994 /nfs/dbraw/zinc/90/49/94/522904994.db2.gz UCNZDKQXUJQNEN-CQSZACIVSA-N 1 0 310.442 2.126 10 0 DEAERO CCn1cc(C2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)cn1 ZINC000188990141 523355586 /nfs/dbraw/zinc/35/55/86/523355586.db2.gz YPKQSUOZOFXFEJ-ZDUSSCGKSA-N 1 0 305.344 2.396 10 0 DEAERO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157607951 523356097 /nfs/dbraw/zinc/35/60/97/523356097.db2.gz PUEPZOLLLWQKBL-OCCSQVGLSA-N 1 0 324.469 2.138 10 0 DEAERO CC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000262340005 534717129 /nfs/dbraw/zinc/71/71/29/534717129.db2.gz UEQXCIXYBJYMCP-KBPBESRZSA-N 1 0 303.406 2.281 10 0 DEAERO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1OC ZINC000128481659 524027637 /nfs/dbraw/zinc/02/76/37/524027637.db2.gz WFTNLQXSYMNHJP-OAHLLOKOSA-N 1 0 316.405 2.208 10 0 DEAERO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246884593 524237550 /nfs/dbraw/zinc/23/75/50/524237550.db2.gz GECMXJKJOREQJV-DLTWYDFYSA-N 1 0 318.465 2.293 10 0 DEAERO COc1ccccc1OCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155665095 524668326 /nfs/dbraw/zinc/66/83/26/524668326.db2.gz XRQSMXYVMVWGHA-GJZGRUSLSA-N 1 0 320.433 2.309 10 0 DEAERO Cc1cc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)ccc1-n1cncn1 ZINC000128368396 524710893 /nfs/dbraw/zinc/71/08/93/524710893.db2.gz LVUCOHGUEHLVRF-INIZCTEOSA-N 1 0 322.416 2.299 10 0 DEAERO COc1ccc(OC)c(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000124169106 524811903 /nfs/dbraw/zinc/81/19/03/524811903.db2.gz RJGPYWXXSBUABG-UKRRQHHQSA-N 1 0 320.433 2.187 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000237233743 524983232 /nfs/dbraw/zinc/98/32/32/524983232.db2.gz MZDHGHUQJGHTHS-CJNGLKHVSA-N 1 0 308.422 2.294 10 0 DEAERO COc1ccc2c(CC(=O)NC[C@H]3CC[N@H+](C)C3)coc2c1 ZINC000105567631 525498942 /nfs/dbraw/zinc/49/89/42/525498942.db2.gz UMNQCCONUIYQGW-GFCCVEGCSA-N 1 0 302.374 2.052 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@H+](C[C@H](O)COCC(C)C)CC2 ZINC000374347433 534882437 /nfs/dbraw/zinc/88/24/37/534882437.db2.gz CCOFFFHAIKVOHA-IBGZPJMESA-N 1 0 319.445 2.323 10 0 DEAERO CC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 ZINC000450640206 534888216 /nfs/dbraw/zinc/88/82/16/534888216.db2.gz GAOJLZBKTNOLAV-IRXDYDNUSA-N 1 0 300.402 2.380 10 0 DEAERO C[NH2+]C1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000262111829 536440163 /nfs/dbraw/zinc/44/01/63/536440163.db2.gz KMRGHWBUVJETSA-SFHVURJKSA-N 1 0 304.434 2.428 10 0 DEAERO NC(=O)CCCCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000338724239 526864664 /nfs/dbraw/zinc/86/46/64/526864664.db2.gz NIMKBYIRSXFWQJ-UHFFFAOYSA-N 1 0 303.406 2.267 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000299378134 527158855 /nfs/dbraw/zinc/15/88/55/527158855.db2.gz SKSSJMTXRJXFNH-XHDPSFHLSA-N 1 0 319.449 2.431 10 0 DEAERO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H](O)C(C)C)CC1 ZINC000175766868 527723872 /nfs/dbraw/zinc/72/38/72/527723872.db2.gz VJTCJAIHQFRDPV-INIZCTEOSA-N 1 0 313.486 2.061 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N[C@H](C)c1ccncc1OC ZINC000189557925 528109837 /nfs/dbraw/zinc/10/98/37/528109837.db2.gz AZTJLZAKUDQEJP-CYBMUJFWSA-N 1 0 308.426 2.182 10 0 DEAERO CC1(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000412772812 528853151 /nfs/dbraw/zinc/85/31/51/528853151.db2.gz HSNYZNDECCTDSY-UHFFFAOYSA-N 1 0 316.445 2.320 10 0 DEAERO CCC[C@@H](NC(=O)C[N@H+](C)CC1(CO)CC1)c1ccccc1 ZINC000190007559 528972376 /nfs/dbraw/zinc/97/23/76/528972376.db2.gz QIQYCVRADDNJCA-MRXNPFEDSA-N 1 0 304.434 2.348 10 0 DEAERO CC(C)CN(CC(C)C)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262018140 535032571 /nfs/dbraw/zinc/03/25/71/535032571.db2.gz XIFXLMBUPBPAPK-SJPCQFCGSA-N 1 0 309.498 2.342 10 0 DEAERO CC(C)(C[NH3+])NC(=O)COc1ccc(Cl)c2cccnc12 ZINC000262556269 535066878 /nfs/dbraw/zinc/06/68/78/535066878.db2.gz YFAGHWHBPKVPLL-UHFFFAOYSA-N 1 0 307.781 2.121 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H]2CCc3ccccc3C2)CC1 ZINC000358674319 535243903 /nfs/dbraw/zinc/24/39/03/535243903.db2.gz YWFNZMAMTCOGSV-SFHVURJKSA-N 1 0 313.445 2.495 10 0 DEAERO CC(C)NC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262639785 535280688 /nfs/dbraw/zinc/28/06/88/535280688.db2.gz YUKLPVIUWNTQBU-RYUDHWBXSA-N 1 0 304.394 2.282 10 0 DEAERO CCC[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C)C(C)C ZINC000262382391 535319514 /nfs/dbraw/zinc/31/95/14/535319514.db2.gz NZTJUWJYWNDOMN-CYBMUJFWSA-N 1 0 307.442 2.293 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2cnc3n2CCCC3)CC1 ZINC000371018770 535450606 /nfs/dbraw/zinc/45/06/06/535450606.db2.gz OFYPNMWOAYOTTL-UHFFFAOYSA-N 1 0 304.438 2.071 10 0 DEAERO CCOCCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248803588 535536707 /nfs/dbraw/zinc/53/67/07/535536707.db2.gz JWHVKNBWZQFTEY-NVXWUHKLSA-N 1 0 319.449 2.233 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCc1cccs1 ZINC000189685157 535547112 /nfs/dbraw/zinc/54/71/12/535547112.db2.gz XBXLGOSBFVLEKE-CYBMUJFWSA-N 1 0 316.492 2.037 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](CCCO)c2ccccc2)C1 ZINC000247281559 535576265 /nfs/dbraw/zinc/57/62/65/535576265.db2.gz SVQJRWOSNZHONT-DLBZAZTESA-N 1 0 319.449 2.284 10 0 DEAERO CCOC(=O)C1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000261840105 535592600 /nfs/dbraw/zinc/59/26/00/535592600.db2.gz YOQFBDAFSRAMOO-NQBOGQKCSA-N 1 0 322.449 2.145 10 0 DEAERO CCOC(=O)C1CCC(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000262534243 535593168 /nfs/dbraw/zinc/59/31/68/535593168.db2.gz QAJRVGVWZFESGF-RUXDESIVSA-N 1 0 310.438 2.003 10 0 DEAERO CCCn1ccc2ccc(NC(=O)C3([NH3+])CCOCC3)cc21 ZINC000261763032 535616665 /nfs/dbraw/zinc/61/66/65/535616665.db2.gz GCMHGUMYVUKSCZ-UHFFFAOYSA-N 1 0 301.390 2.498 10 0 DEAERO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000190723937 535618765 /nfs/dbraw/zinc/61/87/65/535618765.db2.gz RWFVFYUVDOCMRO-CVEARBPZSA-N 1 0 317.495 2.218 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000305334100 535787460 /nfs/dbraw/zinc/78/74/60/535787460.db2.gz NOKISVHLVXGTNH-IAGOWNOFSA-N 1 0 304.434 2.128 10 0 DEAERO CCc1noc(C)c1CNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000455018006 535879957 /nfs/dbraw/zinc/87/99/57/535879957.db2.gz XTQFJAAUQBXUGK-VXGBXAGGSA-N 1 0 308.426 2.170 10 0 DEAERO CCc1noc(C)c1CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000454876790 535881255 /nfs/dbraw/zinc/88/12/55/535881255.db2.gz PRYHQNBJLKLCEM-HNNXBMFYSA-N 1 0 322.453 2.465 10 0 DEAERO CCc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249487411 535973080 /nfs/dbraw/zinc/97/30/80/535973080.db2.gz XIMZGFUEUZATSM-JKSUJKDBSA-N 1 0 322.474 2.354 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)[C@H](O)C2CCCCC2)ccc1F ZINC000188006466 535991093 /nfs/dbraw/zinc/99/10/93/535991093.db2.gz SYSCPMKMPFMEIJ-QGZVFWFLSA-N 1 0 322.424 2.445 10 0 DEAERO CN(C)C(=O)c1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248199890 536103507 /nfs/dbraw/zinc/10/35/07/536103507.db2.gz YHOKNHWBTXSGGK-ZWKOTPCHSA-N 1 0 315.461 2.305 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc(-c2ccn(-c3c(F)cccc3F)n2)n1 ZINC000261627551 536347337 /nfs/dbraw/zinc/34/73/37/536347337.db2.gz CFQQDNJJIXQJFC-VIFPVBQESA-N 1 0 319.315 2.351 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc([C@H]2CCCN2C(=O)CC(C)(C)C)n1 ZINC000261831044 536350523 /nfs/dbraw/zinc/35/05/23/536350523.db2.gz REVQQNOMYBCFAO-NWDGAFQWSA-N 1 0 308.426 2.320 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(F)c(F)c3)CC[C@H]21 ZINC000248186682 536377636 /nfs/dbraw/zinc/37/76/36/536377636.db2.gz XLXUIJSQFLMBTP-CZUORRHYSA-N 1 0 308.372 2.450 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2cc(N3CCCC3=O)ccc2F)n1 ZINC000261759289 536405216 /nfs/dbraw/zinc/40/52/16/536405216.db2.gz MGJQBGGWWMPSAI-SNVBAGLBSA-N 1 0 318.352 2.153 10 0 DEAERO COC(=O)c1cc2cc(NC(=O)[C@@H](C)C3C[NH2+]C3)ccc2o1 ZINC000262029223 536594273 /nfs/dbraw/zinc/59/42/73/536594273.db2.gz DTOPDRMVQSJIOZ-VIFPVBQESA-N 1 0 302.330 2.013 10 0 DEAERO COC[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000362869190 536685142 /nfs/dbraw/zinc/68/51/42/536685142.db2.gz UGKOHLPYVFHLER-MRXNPFEDSA-N 1 0 308.397 2.361 10 0 DEAERO COc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(OC(C)C)c1 ZINC000191173806 536730878 /nfs/dbraw/zinc/73/08/78/536730878.db2.gz MXYRRORESBNOKF-CYBMUJFWSA-N 1 0 306.406 2.259 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000191876492 536742377 /nfs/dbraw/zinc/74/23/77/536742377.db2.gz UISOHTFKOKEFQQ-TVYUQYBPSA-N 1 0 316.323 2.260 10 0 DEAERO COc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247315589 536768258 /nfs/dbraw/zinc/76/82/58/536768258.db2.gz VSYADXDWQOVEOF-WMLDXEAASA-N 1 0 317.433 2.050 10 0 DEAERO COc1ccc(OCCCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261670980 536844260 /nfs/dbraw/zinc/84/42/60/536844260.db2.gz ADWXRWFFZKLIFC-MRXNPFEDSA-N 1 0 320.433 2.440 10 0 DEAERO COc1ccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000247196737 536879693 /nfs/dbraw/zinc/87/96/93/536879693.db2.gz LLWPWRMMZISIMB-ZFWWWQNUSA-N 1 0 303.406 2.073 10 0 DEAERO COc1ccc2[nH]c(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)cc2c1 ZINC000248768175 536958897 /nfs/dbraw/zinc/95/88/97/536958897.db2.gz ABLYZWGTSOULGU-OCCSQVGLSA-N 1 0 313.401 2.485 10 0 DEAERO COc1ccccc1NC(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261788787 537082169 /nfs/dbraw/zinc/08/21/69/537082169.db2.gz SUHLLYYTDSAUOW-OAHLLOKOSA-N 1 0 317.433 2.098 10 0 DEAERO C[C@@H]1CN(Cc2cnc(NC(=O)C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000725272078 563577435 /nfs/dbraw/zinc/57/74/35/563577435.db2.gz LYFVFQSVPLBSPT-ZYHUDNBSSA-N 1 0 310.467 2.297 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000069172120 625416218 /nfs/dbraw/zinc/41/62/18/625416218.db2.gz WYDFFLISIWAMJW-OAHLLOKOSA-N 1 0 318.421 2.179 10 0 DEAERO CC[NH+](CC)CCCCNC(=O)Cc1cn2cc(F)ccc2n1 ZINC000075303704 625421122 /nfs/dbraw/zinc/42/11/22/625421122.db2.gz OBVYFZBDFIOSGP-UHFFFAOYSA-N 1 0 320.412 2.254 10 0 DEAERO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000311701728 625430183 /nfs/dbraw/zinc/43/01/83/625430183.db2.gz SCEVUNALAWRBRP-KZNAEPCWSA-N 1 0 304.434 2.045 10 0 DEAERO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000254924919 622747034 /nfs/dbraw/zinc/74/70/34/622747034.db2.gz QOPUEZLNSIZEDA-DANTVBBOSA-N 1 0 300.399 2.089 10 0 DEAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)C[C@@H]([NH3+])C2CCCCC2)C1 ZINC000757153675 623202901 /nfs/dbraw/zinc/20/29/01/623202901.db2.gz PURVNRRVGWUTAE-UMVBOHGHSA-N 1 0 302.484 2.202 10 0 DEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Br)c(F)c1 ZINC000757185494 623233792 /nfs/dbraw/zinc/23/37/92/623233792.db2.gz WLMIJQIEDFYUAJ-UWVGGRQHSA-N 1 0 316.170 2.454 10 0 DEAERO CC(C)n1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cn1 ZINC000289733586 623981087 /nfs/dbraw/zinc/98/10/87/623981087.db2.gz NSZGUQMGCOAVEU-QWHCGFSZSA-N 1 0 303.366 2.050 10 0 DEAERO CCC(CC)(C[NH3+])NS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255317493 624157148 /nfs/dbraw/zinc/15/71/48/624157148.db2.gz ZYOCMHJCPLZBFW-KTKRTIGZSA-N 1 0 300.399 2.233 10 0 DEAERO F[C@H]1CC2(CC[C@H]1[NH+]1CCC(c3cc[nH]n3)CC1)OCCO2 ZINC000891891045 624647104 /nfs/dbraw/zinc/64/71/04/624647104.db2.gz KXKSXUAHCDABHW-DZGCQCFKSA-N 1 0 309.385 2.223 10 0 DEAERO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(CCO)CC1 ZINC000188053392 625032800 /nfs/dbraw/zinc/03/28/00/625032800.db2.gz GKNMVEYFASGHCI-LLVKDONJSA-N 1 0 311.813 2.204 10 0 DEAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)c2cncc(Cl)c2)C1 ZINC000888076785 625054428 /nfs/dbraw/zinc/05/44/28/625054428.db2.gz CTWNGTZVKPKOLR-KFWWJZLASA-N 1 0 323.824 2.107 10 0 DEAERO [NH3+]CCCCCCNc1ncc(I)cn1 ZINC000236168947 625098185 /nfs/dbraw/zinc/09/81/85/625098185.db2.gz LVIXTIFHOISJBQ-UHFFFAOYSA-N 1 0 320.178 2.012 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)/C=C\c2ccc(F)cc2)C1 ZINC000255566646 625105888 /nfs/dbraw/zinc/10/58/88/625105888.db2.gz FIJOQHOSNGTVFG-QNCVSOFMSA-N 1 0 312.410 2.185 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000052808244 625105955 /nfs/dbraw/zinc/10/59/55/625105955.db2.gz HGHWEGQGEAPQSD-LLVKDONJSA-N 1 0 305.205 2.316 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000178003458 625119515 /nfs/dbraw/zinc/11/95/15/625119515.db2.gz LLZMXQDUWLMNKP-DZGCQCFKSA-N 1 0 309.454 2.212 10 0 DEAERO C[C@@](O)(C[NH2+]Cc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000734004141 633309479 /nfs/dbraw/zinc/30/94/79/633309479.db2.gz PYUUYULYEKOXRY-GOSISDBHSA-N 1 0 308.385 2.265 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCc2nc(C)ncc21 ZINC000734823796 633430091 /nfs/dbraw/zinc/43/00/91/633430091.db2.gz DXKMBCFIZVINAR-HZPDHXFCSA-N 1 0 302.422 2.153 10 0 DEAERO COc1cc(C)nc(CN[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](OC)C2)c1 ZINC000888103162 635569166 /nfs/dbraw/zinc/56/91/66/635569166.db2.gz LRYSDLQUHYOISM-JQHSSLGASA-N 1 0 319.449 2.130 10 0 DEAERO O=C(NCCCC1CC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000737046597 635794296 /nfs/dbraw/zinc/79/42/96/635794296.db2.gz HNSKIOUIBUSRIP-INIZCTEOSA-N 1 0 309.454 2.119 10 0 DEAERO Cc1cc(C)cc([C@@H]2CC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C2)c1 ZINC000248461972 636203844 /nfs/dbraw/zinc/20/38/44/636203844.db2.gz PMVVGJABOJWABT-DLBZAZTESA-N 1 0 316.445 2.340 10 0 DEAERO CCNC(NCc1ccc(C)cc1OC[C@@H]1CCOC1)=[NH+]CC ZINC000087000954 637186843 /nfs/dbraw/zinc/18/68/43/637186843.db2.gz OKWVZWLMIFHGLP-OAHLLOKOSA-N 1 0 319.449 2.485 10 0 DEAERO Cc1scc(C(=O)N(C(=O)[C@@H]2CCC[NH2+]C2)C2CC2)c1C ZINC000223173353 637458350 /nfs/dbraw/zinc/45/83/50/637458350.db2.gz DAHBXTGFAVVJEE-GFCCVEGCSA-N 1 0 306.431 2.496 10 0 DEAERO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000178968997 637526485 /nfs/dbraw/zinc/52/64/85/637526485.db2.gz YSFRCRQKICMQIA-SLZMIMFISA-N 1 0 314.426 2.431 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)nc(N(C)C)c2)C1 ZINC000742909974 638103721 /nfs/dbraw/zinc/10/37/21/638103721.db2.gz BMDOZKIARRFTKR-GFCCVEGCSA-N 1 0 324.856 2.215 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)CC(F)F)CC1 ZINC000746321977 638335292 /nfs/dbraw/zinc/33/52/92/638335292.db2.gz RYOOQROXSGPEQQ-CQSZACIVSA-N 1 0 317.424 2.049 10 0 DEAERO CCN(C[C@H]1CC[N@H+](C/C=C(/C)C(=O)OC)C1)CC(F)(F)F ZINC000748825825 638595931 /nfs/dbraw/zinc/59/59/31/638595931.db2.gz ZHAFJWWACVXBKR-QWGHSUKYSA-N 1 0 322.371 2.312 10 0 DEAERO C[C@H](CNC(=O)NC[C@@H](C)c1ccncc1)[NH+]1CCCCC1 ZINC000749566015 638660645 /nfs/dbraw/zinc/66/06/45/638660645.db2.gz VINSQSFMENOVAQ-HUUCEWRRSA-N 1 0 304.438 2.359 10 0 DEAERO C[C@@H](CNC(=S)NCC(C)(C)C[NH+](C)C)c1ccncc1 ZINC000749834636 638686066 /nfs/dbraw/zinc/68/60/66/638686066.db2.gz VELHWKNGEBYBRE-ZDUSSCGKSA-N 1 0 308.495 2.237 10 0 DEAERO CCOC(=O)[C@@H](CC1CC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000752385033 639178529 /nfs/dbraw/zinc/17/85/29/639178529.db2.gz DWKZCBYOIFOBEW-DZGCQCFKSA-N 1 0 310.438 2.099 10 0 DEAERO COC(=O)c1ccc2c(cnn2C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1 ZINC000752803326 639222405 /nfs/dbraw/zinc/22/24/05/639222405.db2.gz IMSYUEJFKFMBHF-SWLSCSKDSA-N 1 0 317.389 2.016 10 0 DEAERO COc1cc(Br)c(C[NH2+][C@@H](C)[C@@H](C)O)cc1OC ZINC000342236586 639498398 /nfs/dbraw/zinc/49/83/98/639498398.db2.gz VUAHKVFYYBHIOT-DTWKUNHWSA-N 1 0 318.211 2.325 10 0 DEAERO Cc1[nH]c(=S)sc1CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000128934841 643672152 /nfs/dbraw/zinc/67/21/52/643672152.db2.gz VSXGFGMWZRWYAH-NSHDSACASA-N 1 0 315.508 2.375 10 0 DEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCC12OCCO2 ZINC000806542699 645843392 /nfs/dbraw/zinc/84/33/92/645843392.db2.gz WFKKULRXNARICJ-HUUCEWRRSA-N 1 0 312.454 2.156 10 0 DEAERO CON(C)C(=O)CC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000806627239 645855168 /nfs/dbraw/zinc/85/51/68/645855168.db2.gz OHQWVUDZNBFTMD-JTQLQIEISA-N 1 0 302.321 2.349 10 0 DEAERO CC(C)(C)OC(=O)N(Cc1cc[nH]n1)c1ccc(C[NH3+])nc1 ZINC000757135578 645929294 /nfs/dbraw/zinc/92/92/94/645929294.db2.gz WAEUNOLSTJAVQH-UHFFFAOYSA-N 1 0 303.366 2.205 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000075712366 646704640 /nfs/dbraw/zinc/70/46/40/646704640.db2.gz HZNALMYYOHFDGB-RDJZCZTQSA-N 1 0 305.418 2.422 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C(\C)c1cccc(F)c1 ZINC000171807049 646714196 /nfs/dbraw/zinc/71/41/96/646714196.db2.gz ISRGIGRWUFKNHF-WKOYGUFESA-N 1 0 320.408 2.456 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1c(Cl)nc2ccccn21 ZINC000063737567 646785228 /nfs/dbraw/zinc/78/52/28/646785228.db2.gz DRQNFSFKZQZJMX-NSHDSACASA-N 1 0 308.813 2.448 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC000174730258 646996943 /nfs/dbraw/zinc/99/69/43/646996943.db2.gz UTTDGEBHLQCGDJ-SFHVURJKSA-N 1 0 316.445 2.327 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733154759 647892860 /nfs/dbraw/zinc/89/28/60/647892860.db2.gz IHHNAHUFCBBIBI-CYBMUJFWSA-N 1 0 324.856 2.405 10 0 DEAERO Cc1cccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c1Cl ZINC000175093345 648332453 /nfs/dbraw/zinc/33/24/53/648332453.db2.gz MQCXJTBPQZLTJR-UHFFFAOYSA-N 1 0 323.824 2.140 10 0 DEAERO CC[C@@H]1CN(Cc2cnc(Cl)s2)CC[N@@H+]1C[C@@H](C)O ZINC000175431524 648348083 /nfs/dbraw/zinc/34/80/83/648348083.db2.gz QQEGSHZQLRCPGC-GHMZBOCLSA-N 1 0 303.859 2.074 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000179814298 648422880 /nfs/dbraw/zinc/42/28/80/648422880.db2.gz BWURVULUHSCUPK-GJZGRUSLSA-N 1 0 310.825 2.364 10 0 DEAERO CCCCC[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)C(C)(C)C ZINC000179917871 648437393 /nfs/dbraw/zinc/43/73/93/648437393.db2.gz XUANCKPYQLOCKQ-JKSUJKDBSA-N 1 0 300.487 2.264 10 0 DEAERO C[NH2+]C[C@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000071148395 649058962 /nfs/dbraw/zinc/05/89/62/649058962.db2.gz IBCCYARLUZIRGK-SNVBAGLBSA-N 1 0 322.352 2.026 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CC2(CO)CCC2)C1 ZINC000184366714 649260410 /nfs/dbraw/zinc/26/04/10/649260410.db2.gz NIICNSHCZKASHN-AWEZNQCLSA-N 1 0 312.454 2.386 10 0 DEAERO COC(=O)CCCCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083029927 649640643 /nfs/dbraw/zinc/64/06/43/649640643.db2.gz QLNKOSQBAAKHRW-CQSZACIVSA-N 1 0 319.405 2.148 10 0 DEAERO CC(C)N1C(=O)CN(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000114445091 651955653 /nfs/dbraw/zinc/95/56/53/651955653.db2.gz OHERBDBXHBQHGR-KRWDZBQOSA-N 1 0 305.422 2.439 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000380079100 685393965 /nfs/dbraw/zinc/39/39/65/685393965.db2.gz LBRWFOLKMUTBDG-GDAGCXPBSA-N 1 0 314.838 2.324 10 0 DEAERO CC(C)[C@@H]([NH3+])c1cn(Cc2ncccc2Br)nn1 ZINC000381189386 685400372 /nfs/dbraw/zinc/40/03/72/685400372.db2.gz WRIPEGNFOUEAIB-GFCCVEGCSA-N 1 0 310.199 2.140 10 0 DEAERO CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000381356438 685400909 /nfs/dbraw/zinc/40/09/09/685400909.db2.gz DGSNGTVPXYUAHH-JDNHERCYSA-N 1 0 305.241 2.263 10 0 DEAERO CC[C@@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)C(N)=O ZINC000386187640 685416670 /nfs/dbraw/zinc/41/66/70/685416670.db2.gz HQUJKHXRELDGLP-GHMZBOCLSA-N 1 0 313.195 2.126 10 0 DEAERO Brc1c[nH]c(C[NH2+][C@H]2COc3ccccc3C2)n1 ZINC000385558994 685414149 /nfs/dbraw/zinc/41/41/49/685414149.db2.gz ZBPMGFADCGITEY-SNVBAGLBSA-N 1 0 308.179 2.266 10 0 DEAERO CN(C)CC1([NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CCC1 ZINC000393570548 685452735 /nfs/dbraw/zinc/45/27/35/685452735.db2.gz VKFLLCOPMYLZQD-CQSZACIVSA-N 1 0 311.470 2.460 10 0 DEAERO CCCN(C1CC[NH2+]CC1)S(=O)(=O)/C=C/c1ccccc1 ZINC000037537965 683882674 /nfs/dbraw/zinc/88/26/74/683882674.db2.gz NHQBDDZDXXCYAZ-GXDHUFHOSA-N 1 0 308.447 2.451 10 0 DEAERO NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000037649919 683883910 /nfs/dbraw/zinc/88/39/10/683883910.db2.gz ZQPUWJBEAJEFET-INIZCTEOSA-N 1 0 302.399 2.111 10 0 DEAERO COCCOC1CC[NH+](C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000075747248 683938106 /nfs/dbraw/zinc/93/81/06/683938106.db2.gz CPOGHEHIGQJTFB-SFHVURJKSA-N 1 0 307.434 2.464 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)COc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000124506914 684135591 /nfs/dbraw/zinc/13/55/91/684135591.db2.gz BWJDCRYKNPINFH-RHSMWYFYSA-N 1 0 316.445 2.495 10 0 DEAERO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000129459075 684179150 /nfs/dbraw/zinc/17/91/50/684179150.db2.gz BDFXIDYALZGYGG-PBHICJAKSA-N 1 0 322.424 2.343 10 0 DEAERO CC1(C)OCc2cc(C[NH2+][C@@H]3CCC[C@@H](C(N)=O)C3)ccc2O1 ZINC000187406693 684336942 /nfs/dbraw/zinc/33/69/42/684336942.db2.gz FYWJPZGOCONWLI-UKRRQHHQSA-N 1 0 318.417 2.465 10 0 DEAERO COC[C@H](C)CNc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000187530050 684340200 /nfs/dbraw/zinc/34/02/00/684340200.db2.gz LQWWVVNIJWJUTL-MRXNPFEDSA-N 1 0 321.465 2.007 10 0 DEAERO CN(Cc1ccc(C#N)o1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000188084704 684348765 /nfs/dbraw/zinc/34/87/65/684348765.db2.gz FACMUOBLUGBWPI-KRWDZBQOSA-N 1 0 309.369 2.384 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@H]2CC[C@H](O)C2)C1 ZINC000188798174 684364619 /nfs/dbraw/zinc/36/46/19/684364619.db2.gz MABCVVFJMWFXAG-ZNMIVQPWSA-N 1 0 312.454 2.384 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C)cc3)C2=O)CC[C@@H]1C ZINC000189271105 684378248 /nfs/dbraw/zinc/37/82/48/684378248.db2.gz JYQIAAOQTNXMDR-BHYGNILZSA-N 1 0 302.418 2.457 10 0 DEAERO CCc1nnc(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000191913647 684438644 /nfs/dbraw/zinc/43/86/44/684438644.db2.gz ZYCZJACGDSUSQK-NEPJUHHUSA-N 1 0 324.425 2.415 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000247457444 685148629 /nfs/dbraw/zinc/14/86/29/685148629.db2.gz HZNALMYYOHFDGB-WBVHZDCISA-N 1 0 305.418 2.422 10 0 DEAERO CCCCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248397676 685158232 /nfs/dbraw/zinc/15/82/32/685158232.db2.gz SBSPHRSZBLHPOV-CHWSQXEVSA-N 1 0 324.387 2.318 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000252678774 685194363 /nfs/dbraw/zinc/19/43/63/685194363.db2.gz ROICLXXUFORNFA-BVUBYJHWSA-N 1 0 314.838 2.358 10 0 DEAERO CN(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH]c3nccnc23)nn1 ZINC000886079390 691998590 /nfs/dbraw/zinc/99/85/90/691998590.db2.gz KTSHHDWVHYAVTP-AWEZNQCLSA-N 1 0 323.404 2.103 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc2ccccc2nn1 ZINC000888608605 692552128 /nfs/dbraw/zinc/55/21/28/692552128.db2.gz KHJIIDISVLQIPJ-TZMCWYRMSA-N 1 0 311.389 2.330 10 0 DEAERO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c(C)sc(C)c2C)C1 ZINC000722596945 776544291 /nfs/dbraw/zinc/54/42/91/776544291.db2.gz FCUFFQCFIOQPAR-CYBMUJFWSA-N 1 0 316.492 2.293 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000722597109 776544427 /nfs/dbraw/zinc/54/44/27/776544427.db2.gz OEQAEDBWYKJMJB-XQQFMLRXSA-N 1 0 314.476 2.031 10 0 DEAERO CC[C@H]([NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)[C@@H]1CCCOC1 ZINC000723954367 777208160 /nfs/dbraw/zinc/20/81/60/777208160.db2.gz IFEWAHMVVHWZSO-RDBSUJKOSA-N 1 0 314.426 2.332 10 0 DEAERO CC(C)(C)OC(=O)N1CC([NH2+][C@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000724006141 777219005 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DEAERO C[C@H]([NH2+]Cc1cn(C)nc1Br)[C@H]1CCCOC1 ZINC000712397227 792185219 /nfs/dbraw/zinc/18/52/19/792185219.db2.gz LYHYKSXLOXNXSH-UWVGGRQHSA-N 1 0 302.216 2.087 10 0 DEAERO Cn1cc(C[NH2+]CCC2SCCS2)c(Br)n1 ZINC000712448667 792188482 /nfs/dbraw/zinc/18/84/82/792188482.db2.gz GQWZKKGQRWLRPP-UHFFFAOYSA-N 1 0 322.297 2.468 10 0 DEAERO CCC[N@H+](CC)CCNCc1cn(C)nc1Br ZINC000712489143 792190862 /nfs/dbraw/zinc/19/08/62/792190862.db2.gz AIRIEZWCJLUWST-UHFFFAOYSA-N 1 0 303.248 2.004 10 0 DEAERO CCN1CC[C@H]1C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000712610249 792194028 /nfs/dbraw/zinc/19/40/28/792194028.db2.gz YFWAQXBXHGZBCD-IRXDYDNUSA-N 1 0 317.433 2.081 10 0 DEAERO CC1(C)CC[NH2+]CCN1C(=O)c1ccncc1Br ZINC000712526701 792199627 /nfs/dbraw/zinc/19/96/27/792199627.db2.gz GZYUWYYHKIFNBR-UHFFFAOYSA-N 1 0 312.211 2.058 10 0 DEAERO CCn1ncnc1C[NH2+]CCc1sccc1Br ZINC000713015192 792211750 /nfs/dbraw/zinc/21/17/50/792211750.db2.gz OUJNCTARMTYMAF-UHFFFAOYSA-N 1 0 315.240 2.454 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713869220 792264637 /nfs/dbraw/zinc/26/46/37/792264637.db2.gz DZSDITIDLDKBTH-MNOVXSKESA-N 1 0 317.216 2.316 10 0 DEAERO O=C(CC(F)(F)C(F)(F)F)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715045028 792378763 /nfs/dbraw/zinc/37/87/63/792378763.db2.gz LNTRBJZQXMTJTO-DTWKUNHWSA-N 1 0 300.271 2.175 10 0 DEAERO [NH3+][C@H]1C[C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000715142694 792396585 /nfs/dbraw/zinc/39/65/85/792396585.db2.gz ZDGPACRHPVKEGW-DTORHVGOSA-N 1 0 308.325 2.129 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1(F)F ZINC000715156097 792398469 /nfs/dbraw/zinc/39/84/69/792398469.db2.gz FMDLZSDIHKYKDR-FNCVBFRFSA-N 1 0 300.271 2.064 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)C1(F)F ZINC000715156112 792398753 /nfs/dbraw/zinc/39/87/53/792398753.db2.gz FMDLZSDIHKYKDR-RBXMUDONSA-N 1 0 300.271 2.064 10 0 DEAERO O=C(NC12CC[NH+](CC1)C2)c1cc(Br)ccc1F ZINC000715502769 792469446 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C[C@H]([NH2+]CC[C@@H](O)C(F)F)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000716767142 793006676 /nfs/dbraw/zinc/00/66/76/793006676.db2.gz XOANRAGCJHOHFI-SDDRHHMPSA-N 1 0 322.396 2.380 10 0 DEAERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1c(Br)c(C)nn1C ZINC000716795385 793007116 /nfs/dbraw/zinc/00/71/16/793007116.db2.gz CKIVVWKPKXJCSA-SCZZXKLOSA-N 1 0 304.232 2.130 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000245480978 797856834 /nfs/dbraw/zinc/85/68/34/797856834.db2.gz XUYZIRREMBAGNB-IKGGRYGDSA-N 1 0 317.433 2.300 10 0 DEAERO COCc1nc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cs1 ZINC000717029254 798945725 /nfs/dbraw/zinc/94/57/25/798945725.db2.gz AHDFLCCTQXOGNV-NXEZZACHSA-N 1 0 309.357 2.001 10 0 DEAERO [NH3+][C@H]1CN(C(=O)NCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000717030881 798961716 /nfs/dbraw/zinc/96/17/16/798961716.db2.gz DMHCRDFNFFRTAX-NEPJUHHUSA-N 1 0 301.312 2.108 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccc(Cl)c(Cl)c1 ZINC000089755220 801012941 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ZINC000720819087 1086169629 /nfs/dbraw/zinc/16/96/29/1086169629.db2.gz YFTOEBIZYRDAMV-QWHCGFSZSA-N 1 0 324.222 2.153 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccnc(Br)c1 ZINC000720828901 1086183782 /nfs/dbraw/zinc/18/37/82/1086183782.db2.gz JVDSXZVCWUCPPP-RYUDHWBXSA-N 1 0 324.222 2.153 10 0 DEAERO [NH3+]C[C@H]1CN(C(=O)CCc2cccs2)C[C@@H]1C(F)(F)F ZINC000720857913 1086303623 /nfs/dbraw/zinc/30/36/23/1086303623.db2.gz HPDMFSQCFIFVMV-ONGXEEELSA-N 1 0 306.353 2.276 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)C(F)(F)F ZINC000700307318 1086314210 /nfs/dbraw/zinc/31/42/10/1086314210.db2.gz GZPIIIBUKGYQEE-RXMQYKEDSA-N 1 0 302.083 2.008 10 0 DEAERO O=C(c1ccc(Br)nc1)N1CCC([NH+]2CCC2)CC1 ZINC000700380984 1086316042 /nfs/dbraw/zinc/31/60/42/1086316042.db2.gz OCHCNSNVRLMJGI-UHFFFAOYSA-N 1 0 324.222 2.154 10 0 DEAERO C[C@@H]1[C@@H]([NH2+][C@H]2CCN(C)[C@@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000700748594 1086333860 /nfs/dbraw/zinc/33/38/60/1086333860.db2.gz BPULPXGLKFHHRV-XGUBFFRZSA-N 1 0 311.470 2.457 10 0 DEAERO Cc1ccc(/C=C/C(=O)N[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000701356285 1086360390 /nfs/dbraw/zinc/36/03/90/1086360390.db2.gz VSJWWALKRVWTDW-ZYOFXKKJSA-N 1 0 309.207 2.249 10 0 DEAERO Cc1ccc(O)c(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)n1 ZINC000701866836 1086388068 /nfs/dbraw/zinc/38/80/68/1086388068.db2.gz GQPKWDSNIOFBGK-GFCCVEGCSA-N 1 0 309.410 2.441 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]CC1=CCCOC1)C2 ZINC000701920269 1086396678 /nfs/dbraw/zinc/39/66/78/1086396678.db2.gz NMGJVABZQRLESJ-UHFFFAOYSA-N 1 0 308.422 2.322 10 0 DEAERO O=C(c1cc(Cl)ncc1Cl)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000702295733 1086419901 /nfs/dbraw/zinc/41/99/01/1086419901.db2.gz IIXWSQKUPYFWQW-SECBINFHSA-N 1 0 300.189 2.309 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000702649061 1086450482 /nfs/dbraw/zinc/45/04/82/1086450482.db2.gz IOJGDYOSKXEPAE-BGLVSGNDSA-N 1 0 300.811 2.062 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000702649068 1086451070 /nfs/dbraw/zinc/45/10/70/1086451070.db2.gz IOJGDYOSKXEPAE-VVNZAOIASA-N 1 0 300.811 2.062 10 0 DEAERO CN1C(=O)CC[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C1=O ZINC000722133928 1086476680 /nfs/dbraw/zinc/47/66/80/1086476680.db2.gz XYZBLEHRVMSGRU-GFCCVEGCSA-N 1 0 315.200 2.273 10 0 DEAERO Cc1cc(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)ccn1 ZINC000703509177 1086499348 /nfs/dbraw/zinc/49/93/48/1086499348.db2.gz XDFPYWIVVBHESZ-HNNXBMFYSA-N 1 0 321.421 2.116 10 0 DEAERO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)ccn1 ZINC000703461851 1086499484 /nfs/dbraw/zinc/49/94/84/1086499484.db2.gz IEXOSPHVGCJFBE-HNNXBMFYSA-N 1 0 321.421 2.116 10 0 DEAERO Cn1nncc1C[NH2+]C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC000705567785 1086619154 /nfs/dbraw/zinc/61/91/54/1086619154.db2.gz FRNHMNMQWSZOOB-UHFFFAOYSA-N 1 0 323.441 2.132 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000708405063 1086678346 /nfs/dbraw/zinc/67/83/46/1086678346.db2.gz SGPONYRGPSKLMI-SECBINFHSA-N 1 0 302.216 2.087 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(SC(F)F)cc2)C[NH2+]CCO1 ZINC000710710648 1086688409 /nfs/dbraw/zinc/68/84/09/1086688409.db2.gz KXQCJAOBFQDRDV-CYBMUJFWSA-N 1 0 302.346 2.318 10 0 DEAERO CN(CCCCCC[NH3+])S(=O)(=O)c1cc(F)cc(F)c1 ZINC000710693838 1086688454 /nfs/dbraw/zinc/68/84/54/1086688454.db2.gz MZIFDJQNPVYEFB-UHFFFAOYSA-N 1 0 306.378 2.104 10 0 DEAERO CN(CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000710838213 1086689715 /nfs/dbraw/zinc/68/97/15/1086689715.db2.gz URHPPPNUVDVHEN-UHFFFAOYSA-N 1 0 311.470 2.317 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000710961459 1086692398 /nfs/dbraw/zinc/69/23/98/1086692398.db2.gz RODPVPFVPVDUJI-DLBZAZTESA-N 1 0 304.434 2.392 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1C(=O)NCCCCOCc1ccccc1 ZINC000711310774 1087051086 /nfs/dbraw/zinc/05/10/86/1087051086.db2.gz CZQIJSQLDMJPLV-INIZCTEOSA-N 1 0 304.434 2.345 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000711333103 1087066884 /nfs/dbraw/zinc/06/68/84/1087066884.db2.gz PSCZVEPUKUUXDM-DLBZAZTESA-N 1 0 316.445 2.297 10 0 DEAERO CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)OC1 ZINC000711340439 1087068827 /nfs/dbraw/zinc/06/88/27/1087068827.db2.gz UIIFGPJEJURYPY-BFHYXJOUSA-N 1 0 303.468 2.137 10 0 DEAERO CC1(C)CC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2)OC1 ZINC000711360572 1087078482 /nfs/dbraw/zinc/07/84/82/1087078482.db2.gz OKMCTYVHDCJCJQ-DLBZAZTESA-N 1 0 307.434 2.359 10 0 DEAERO C[C@@H](O)C[C@@H](C)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711448738 1087117028 /nfs/dbraw/zinc/11/70/28/1087117028.db2.gz FOAKLLMLOROOBB-SYQHCUMBSA-N 1 0 300.443 2.286 10 0 DEAERO CC(C)[C@](C)(CO)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711451852 1087117070 /nfs/dbraw/zinc/11/70/70/1087117070.db2.gz YLROTCJNTVVAIF-ZENOOKHLSA-N 1 0 300.443 2.286 10 0 DEAERO Cn1ccnc1C[NH2+][C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711641507 1087182098 /nfs/dbraw/zinc/18/20/98/1087182098.db2.gz RULRCKZZEGKERE-SUMWQHHRSA-N 1 0 320.437 2.442 10 0 DEAERO Brc1c[nH]c(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)n1 ZINC000711838142 1087202587 /nfs/dbraw/zinc/20/25/87/1087202587.db2.gz ZCVYMPCVXWNHJT-GXFFZTMASA-N 1 0 314.227 2.467 10 0 DEAERO C[C@@H](COCc1ccccc1)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000719184780 1088893464 /nfs/dbraw/zinc/89/34/64/1088893464.db2.gz ACUAIWPFWKLOQA-CQSZACIVSA-N 1 0 300.406 2.383 10 0 DEAERO Cc1nc(CN(C)[C@@H](C[NH3+])C2CC2)sc1Br ZINC000719254619 1088913819 /nfs/dbraw/zinc/91/38/19/1088913819.db2.gz WAAIJRLJSVEFBK-VIFPVBQESA-N 1 0 304.257 2.383 10 0 DEAERO C[C@H]1[C@@H](NC(=O)c2cccc(Br)c2F)CC[N@@H+]1C ZINC000719388420 1089070487 /nfs/dbraw/zinc/07/04/87/1089070487.db2.gz PUNULPKRVUODET-KWQFWETISA-N 1 0 315.186 2.411 10 0 DEAERO Cn1ncc(C[NH2+]CCOC(F)(F)C(F)(F)F)c1Cl ZINC000720234887 1089535951 /nfs/dbraw/zinc/53/59/51/1089535951.db2.gz ODXJJJYSJLWXCJ-UHFFFAOYSA-N 1 0 307.650 2.335 10 0 DEAERO S=C(NC1CCCCC1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720444854 1089940673 /nfs/dbraw/zinc/94/06/73/1089940673.db2.gz AXMQCOWWKUJQBS-ZIAGYGMSSA-N 1 0 313.536 2.363 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000137316197 282095452 /nfs/dbraw/zinc/09/54/52/282095452.db2.gz BONUOQDHDGUFDR-GFCCVEGCSA-N 1 0 306.454 2.466 10 0 DEAERO CC[NH2+][C@H](CSCC(=O)OC)c1ccc(OC)c(OC)c1 ZINC000081793991 192324581 /nfs/dbraw/zinc/32/45/81/192324581.db2.gz SFCVQARMFPIUMS-GFCCVEGCSA-N 1 0 313.419 2.261 10 0 DEAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1Sc1nnnn1C1CC1 ZINC000081867649 192332573 /nfs/dbraw/zinc/33/25/73/192332573.db2.gz HBDJBVSLZCDKAA-KGLIPLIRSA-N 1 0 301.419 2.376 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@H]1Sc1nc(CCC)cc(=O)[nH]1 ZINC000081864672 192333181 /nfs/dbraw/zinc/33/31/81/192333181.db2.gz GAXCOUYZNHXMOG-QWHCGFSZSA-N 1 0 311.451 2.384 10 0 DEAERO CCCn1c(S[C@@H]2CCc3ccccc3[C@H]2[NH3+])n[nH]c1=O ZINC000081879224 192333226 /nfs/dbraw/zinc/33/32/26/192333226.db2.gz KJWIESKPPNXLBB-CHWSQXEVSA-N 1 0 304.419 2.088 10 0 DEAERO CCC[NH2+][C@@H](CSc1n[nH]c(=O)n1C)c1ccccc1C ZINC000081880665 192333881 /nfs/dbraw/zinc/33/38/81/192333881.db2.gz AWYNRJZHQIZMBF-ZDUSSCGKSA-N 1 0 306.435 2.250 10 0 DEAERO C[NH2+][C@H]1CCOC[C@H]1Sc1ncccc1Br ZINC000081894337 192334401 /nfs/dbraw/zinc/33/44/01/192334401.db2.gz RMBYDWGUMZWGGX-VHSXEESVSA-N 1 0 303.225 2.313 10 0 DEAERO CSCC[C@H](C)N(C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000162573089 197576257 /nfs/dbraw/zinc/57/62/57/197576257.db2.gz OFVFEHCBGIOIGP-LBPRGKRZSA-N 1 0 316.492 2.049 10 0 DEAERO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1N1CCO[C@@H](CO)C1 ZINC000162936733 197601568 /nfs/dbraw/zinc/60/15/68/197601568.db2.gz FZLNHZUPTBRSNL-CQSZACIVSA-N 1 0 312.841 2.426 10 0 DEAERO C[NH+]1CCN(c2cccc(C(=O)Nc3ccc(F)cc3)n2)CC1 ZINC000096780291 185387515 /nfs/dbraw/zinc/38/75/15/185387515.db2.gz DDSRDGQPVJXPRK-UHFFFAOYSA-N 1 0 314.364 2.225 10 0 DEAERO C[NH2+][C@@H](C)[C@@H](C)S(=O)(=O)c1ccccc1Br ZINC000081931597 192341366 /nfs/dbraw/zinc/34/13/66/192341366.db2.gz NOBJQKMATTWVFM-DTWKUNHWSA-N 1 0 306.225 2.219 10 0 DEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1ccc(F)c(Br)c1 ZINC000164510317 197655111 /nfs/dbraw/zinc/65/51/11/197655111.db2.gz HSUULXWKEWJBSP-GFCCVEGCSA-N 1 0 313.170 2.446 10 0 DEAERO CCC[C@H](CCO)CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000152431410 282144426 /nfs/dbraw/zinc/14/44/26/282144426.db2.gz TYMJSXQPRPIRTQ-HZPDHXFCSA-N 1 0 313.486 2.205 10 0 DEAERO CCC[NH2+][C@](CSc1ccc(Cl)cn1)(C(N)=O)C1CC1 ZINC000079448473 185172320 /nfs/dbraw/zinc/17/23/20/185172320.db2.gz XHRLWBXXHARYDP-AWEZNQCLSA-N 1 0 313.854 2.461 10 0 DEAERO C[C@H](C[C@@](C)(O)C[NH3+])Sc1ncccc1Br ZINC000082917606 185209476 /nfs/dbraw/zinc/20/94/76/185209476.db2.gz PZRJZDUUUSXISD-LDYMZIIASA-N 1 0 305.241 2.425 10 0 DEAERO COc1cc(OC)cc([C@H]2CC[N@H+](CCn3cccn3)C2)c1 ZINC000083402940 185222137 /nfs/dbraw/zinc/22/21/37/185222137.db2.gz GWUUOCCIUCCZAF-AWEZNQCLSA-N 1 0 301.390 2.390 10 0 DEAERO CCOCC[C@H](O)[C@@H](C[NH3+])c1ccccc1Br ZINC000087381326 185223187 /nfs/dbraw/zinc/22/31/87/185223187.db2.gz NSQJUHCHAANHFQ-AAEUAGOBSA-N 1 0 302.212 2.279 10 0 DEAERO CC(C)c1nnsc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000087442904 185225194 /nfs/dbraw/zinc/22/51/94/185225194.db2.gz IDGCKTRTRBHWGV-GFCCVEGCSA-N 1 0 308.451 2.266 10 0 DEAERO CC(C)c1nnsc1C(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000087442716 185225293 /nfs/dbraw/zinc/22/52/93/185225293.db2.gz KNFFFAFFNQEMBH-UHFFFAOYSA-N 1 0 309.420 2.016 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000087515569 185227521 /nfs/dbraw/zinc/22/75/21/185227521.db2.gz RSCBGDQMIQSELU-CYBMUJFWSA-N 1 0 309.841 2.364 10 0 DEAERO CC(C)[C@H]([NH3+])CS(=O)(=O)c1cccc(Br)c1 ZINC000087540075 185228157 /nfs/dbraw/zinc/22/81/57/185228157.db2.gz ZFPYMJVANOVOHS-LLVKDONJSA-N 1 0 306.225 2.206 10 0 DEAERO COCC[NH2+]C[C@H]1CCCCN1c1nc(C(C)(C)C)ns1 ZINC000087643846 185229668 /nfs/dbraw/zinc/22/96/68/185229668.db2.gz PJRQRIFMFPOERY-GFCCVEGCSA-N 1 0 312.483 2.431 10 0 DEAERO COC(=O)C(C)(C)C[C@@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000087722477 185230908 /nfs/dbraw/zinc/23/09/08/185230908.db2.gz MVIHJMZFSLVQAY-LLVKDONJSA-N 1 0 310.781 2.424 10 0 DEAERO Cc1nnc(SCCOc2ccccc2Cl)n1CC[NH3+] ZINC000087715107 185230925 /nfs/dbraw/zinc/23/09/25/185230925.db2.gz VQGFJWCVJLNCMF-UHFFFAOYSA-N 1 0 312.826 2.370 10 0 DEAERO NNc1nc(N(CC2CC2)CC2CC2)c(Br)c[nH+]1 ZINC000087879689 185234562 /nfs/dbraw/zinc/23/45/62/185234562.db2.gz PAVHHVQHVKPODP-UHFFFAOYSA-N 1 0 312.215 2.151 10 0 DEAERO CCOc1cc(CC[NH3+])cc(Br)c1OCOC ZINC000087888335 185234834 /nfs/dbraw/zinc/23/48/34/185234834.db2.gz LPOVQWUQJJYXMP-UHFFFAOYSA-N 1 0 304.184 2.332 10 0 DEAERO NNc1nc(N2CCCCCCC2)c(Br)c[nH+]1 ZINC000087897664 185235649 /nfs/dbraw/zinc/23/56/49/185235649.db2.gz SZAGCZPUOYOPCA-UHFFFAOYSA-N 1 0 300.204 2.295 10 0 DEAERO O=[S@@](Cc1ccc(Br)cc1F)CC1C[NH2+]C1 ZINC000088090819 185239538 /nfs/dbraw/zinc/23/95/38/185239538.db2.gz TZRFGDRWPJZWJI-INIZCTEOSA-N 1 0 306.200 2.056 10 0 DEAERO NNc1nc(NCCc2ccccc2)c(Br)c[nH+]1 ZINC000087904897 185237286 /nfs/dbraw/zinc/23/72/86/185237286.db2.gz FDVANBBQEDEIGF-UHFFFAOYSA-N 1 0 308.183 2.179 10 0 DEAERO NNc1nc(NCc2ccccc2F)c(Br)c[nH+]1 ZINC000087905085 185237461 /nfs/dbraw/zinc/23/74/61/185237461.db2.gz JEEUNTYRKWRHEP-UHFFFAOYSA-N 1 0 312.146 2.276 10 0 DEAERO CCC[NH2+]C[C@H]1CC[C@@H]1n1cc(I)cn1 ZINC000087923948 185237542 /nfs/dbraw/zinc/23/75/42/185237542.db2.gz POGFUPAAPIUGME-KOLCDFICSA-N 1 0 319.190 2.438 10 0 DEAERO CC[NH2+]C[C@@H]1CC[C@H]1n1cc(I)cn1 ZINC000087923945 185237783 /nfs/dbraw/zinc/23/77/83/185237783.db2.gz HRJBEUYGZPIDBL-WCBMZHEXSA-N 1 0 305.163 2.048 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@H]1CCOc2ccccc21 ZINC000088020255 185237969 /nfs/dbraw/zinc/23/79/69/185237969.db2.gz XMWGJULCVIIJOA-ZFWWWQNUSA-N 1 0 311.447 2.356 10 0 DEAERO CC[C@H]([NH3+])CS(=O)(=O)Cc1ccc(Br)s1 ZINC000088075080 185238845 /nfs/dbraw/zinc/23/88/45/185238845.db2.gz RLCFJGRSQFFRRX-ZETCQYMHSA-N 1 0 312.254 2.163 10 0 DEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc2nc(N)sc2c1 ZINC000087847498 185233416 /nfs/dbraw/zinc/23/34/16/185233416.db2.gz XOIYVSNFIWSMHT-GFCCVEGCSA-N 1 0 306.435 2.195 10 0 DEAERO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc2nc(N)sc2c1 ZINC000087847574 185233449 /nfs/dbraw/zinc/23/34/49/185233449.db2.gz SMHDJTGHMIGUQB-JTQLQIEISA-N 1 0 306.435 2.339 10 0 DEAERO CC[C@@H]1CCCN(c2nc(NN)[nH+]cc2Br)C1 ZINC000087854433 185233622 /nfs/dbraw/zinc/23/36/22/185233622.db2.gz MIEOUHOKAKGNAI-MRVPVSSYSA-N 1 0 300.204 2.151 10 0 DEAERO [NH3+][C@@H]1CCCN(c2c(F)cc(Br)cc2F)C1=O ZINC000088172865 185240943 /nfs/dbraw/zinc/24/09/43/185240943.db2.gz LWZWBQHLRWXMTM-SECBINFHSA-N 1 0 305.122 2.181 10 0 DEAERO [NH3+]Cc1ccc(NS(=O)(=O)CC2CC2)cc1C(F)(F)F ZINC000088191288 185241366 /nfs/dbraw/zinc/24/13/66/185241366.db2.gz GUNCKWAVZGCMKK-UHFFFAOYSA-N 1 0 308.325 2.316 10 0 DEAERO CO[C@@H](c1noc([C@H]2CCC[N@@H+]2C2CCOCC2)n1)C1CC1 ZINC000328884513 231376855 /nfs/dbraw/zinc/37/68/55/231376855.db2.gz NWJKCDQGOBJQSH-ZIAGYGMSSA-N 1 0 307.394 2.483 10 0 DEAERO C[NH+](C)C[C@@H](O)CNc1cc(Cl)ccc1Br ZINC000088123117 185240106 /nfs/dbraw/zinc/24/01/06/185240106.db2.gz AVOYDAPTYYIAHF-VIFPVBQESA-N 1 0 307.619 2.437 10 0 DEAERO CC[C@H](C[NH3+])C(=O)Nc1cc(OC)ccc1Br ZINC000088321429 185245407 /nfs/dbraw/zinc/24/54/07/185245407.db2.gz FJJKEADAXHSYDT-MRVPVSSYSA-N 1 0 301.184 2.381 10 0 DEAERO CC[NH2+][C@@H]1CCN(c2cc(OC)ccc2Br)C1=O ZINC000088320398 185245421 /nfs/dbraw/zinc/24/54/21/185245421.db2.gz UYNWVSYRCVQLJF-LLVKDONJSA-N 1 0 313.195 2.173 10 0 DEAERO Cc1nc(N)sc1SC[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000088398440 185248511 /nfs/dbraw/zinc/24/85/11/185248511.db2.gz CEWKKGVPWHGUJU-RYUDHWBXSA-N 1 0 309.460 2.057 10 0 DEAERO CN[C@](C)(C[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000088435246 185250353 /nfs/dbraw/zinc/25/03/53/185250353.db2.gz KOTAFHLFJSFLOG-NTZNESFSSA-N 1 0 310.360 2.190 10 0 DEAERO CC[NH2+][C@](C)(C[C@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000088435658 185250477 /nfs/dbraw/zinc/25/04/77/185250477.db2.gz IBBHJZFCJKHKCP-GXFFZTMASA-N 1 0 310.360 2.492 10 0 DEAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1cnc(Br)cn1 ZINC000088446421 185251186 /nfs/dbraw/zinc/25/11/86/185251186.db2.gz MKLMPDGNJDVKBZ-SECBINFHSA-N 1 0 313.199 2.100 10 0 DEAERO COc1cc(C[NH2+][C@H](C)CCCO)cc(Br)c1O ZINC000088503445 185254345 /nfs/dbraw/zinc/25/43/45/185254345.db2.gz YKRDQDWIGMNQCN-SECBINFHSA-N 1 0 318.211 2.414 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1COC ZINC000177349920 282204730 /nfs/dbraw/zinc/20/47/30/282204730.db2.gz MSCUBMQWSBQPRV-QGZVFWFLSA-N 1 0 319.449 2.459 10 0 DEAERO CC(C)C[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088542298 185256431 /nfs/dbraw/zinc/25/64/31/185256431.db2.gz SWZOCRUWJOQAMM-GFCCVEGCSA-N 1 0 302.440 2.491 10 0 DEAERO C[NH2+][C@H]1c2ccccc2CCC[C@@H]1S(=O)(=O)CCCOC ZINC000081985272 192348859 /nfs/dbraw/zinc/34/88/59/192348859.db2.gz APWQVULISPAEGD-HOTGVXAUSA-N 1 0 311.447 2.103 10 0 DEAERO CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C[NH2+]C)o2)C1 ZINC000088551458 185257567 /nfs/dbraw/zinc/25/75/67/185257567.db2.gz XHLZQNGJFYXYTN-VXGBXAGGSA-N 1 0 300.424 2.246 10 0 DEAERO C[NH2+]C[C@@H](Cc1ncnn1C)Cc1cccc(Br)c1 ZINC000088583115 185258401 /nfs/dbraw/zinc/25/84/01/185258401.db2.gz HYKGRIUZSHKXCW-GFCCVEGCSA-N 1 0 323.238 2.198 10 0 DEAERO CC[NH2+][C@H](Cc1nc(C)cs1)Cc1ncnn1CC(C)C ZINC000088611889 185260037 /nfs/dbraw/zinc/26/00/37/185260037.db2.gz DQLIXXASWOAFBS-ZDUSSCGKSA-N 1 0 307.467 2.462 10 0 DEAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)Nc1c(F)cc(F)cc1F ZINC000088722617 185263439 /nfs/dbraw/zinc/26/34/39/185263439.db2.gz SVOQRXIZSAMCGT-JTQLQIEISA-N 1 0 322.352 2.378 10 0 DEAERO CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000088846288 185266843 /nfs/dbraw/zinc/26/68/43/185266843.db2.gz NBDQWTHHXZGTSV-GFCCVEGCSA-N 1 0 302.465 2.058 10 0 DEAERO CCC[C@@H](c1noc(CCC(F)(F)F)n1)N1CC[NH2+]CC1 ZINC000088834887 185266971 /nfs/dbraw/zinc/26/69/71/185266971.db2.gz WPCGQBPGUBUBRA-JTQLQIEISA-N 1 0 306.332 2.311 10 0 DEAERO CC[NH2+][C@H](C)CS(=O)(=O)c1cccc(Br)c1 ZINC000081982732 192349410 /nfs/dbraw/zinc/34/94/10/192349410.db2.gz SDZQMYNHBBNJAP-SECBINFHSA-N 1 0 306.225 2.221 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000088716270 185263206 /nfs/dbraw/zinc/26/32/06/185263206.db2.gz QMUCJAPSSBBBPY-GJZGRUSLSA-N 1 0 308.447 2.148 10 0 DEAERO Cc1ccccc1S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000088718191 185263253 /nfs/dbraw/zinc/26/32/53/185263253.db2.gz ZFDUXHWMEYZUBQ-GOOCMWNKSA-N 1 0 308.447 2.146 10 0 DEAERO COCCCS(=O)(=O)C[C@@H]([NH3+])c1cccc2ccccc21 ZINC000081985915 192349773 /nfs/dbraw/zinc/34/97/73/192349773.db2.gz NWFDIDXOHYUPFA-MRXNPFEDSA-N 1 0 307.415 2.291 10 0 DEAERO CC[NH2+][C@H]1CCC(C)(C)C[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081990571 192350834 /nfs/dbraw/zinc/35/08/34/192350834.db2.gz CIXBYAFOZWKBKN-UONOGXRCSA-N 1 0 303.468 2.137 10 0 DEAERO C[C@@](O)(C[NH3+])Cc1nc(CSc2ccc(Cl)cc2)no1 ZINC000090244209 185288060 /nfs/dbraw/zinc/28/80/60/185288060.db2.gz FBZXKDUIVIDNNC-ZDUSSCGKSA-N 1 0 313.810 2.268 10 0 DEAERO C[C@@](O)(CO)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000090284627 185289266 /nfs/dbraw/zinc/28/92/66/185289266.db2.gz JELPGKOWZIIORD-UBHUBRDASA-N 1 0 314.223 2.028 10 0 DEAERO CCN(C(=O)c1cc(Br)cn1C(C)C)C1C[NH2+]C1 ZINC000090291251 185289468 /nfs/dbraw/zinc/28/94/68/185289468.db2.gz IRDXPPVNCANWGJ-UHFFFAOYSA-N 1 0 314.227 2.265 10 0 DEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000090311991 185290476 /nfs/dbraw/zinc/29/04/76/185290476.db2.gz NCJNOXXPIZCUKV-UMNHJUIQSA-N 1 0 303.189 2.228 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)Cc1c(F)cccc1Cl ZINC000090331320 185291191 /nfs/dbraw/zinc/29/11/91/185291191.db2.gz NFRRSLXTRQNBRV-IFUGULHKSA-N 1 0 310.800 2.478 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000090364624 185292689 /nfs/dbraw/zinc/29/26/89/185292689.db2.gz OXVMHKTZXOFAGF-GZMMTYOYSA-N 1 0 314.172 2.408 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(OCC)c(Cl)c1 ZINC000090489782 185298865 /nfs/dbraw/zinc/29/88/65/185298865.db2.gz XFAAZPHIQMEAPZ-WCQYABFASA-N 1 0 312.797 2.302 10 0 DEAERO C[C@H]1CN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)CC[C@@H]1O ZINC000166354325 197692336 /nfs/dbraw/zinc/69/23/36/197692336.db2.gz AXVGXOWCBZZSHT-UFBFGSQYSA-N 1 0 301.312 2.197 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000090432890 185296174 /nfs/dbraw/zinc/29/61/74/185296174.db2.gz XOEDFDGKEVFALQ-WCBMZHEXSA-N 1 0 320.336 2.471 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000090434114 185296323 /nfs/dbraw/zinc/29/63/23/185296323.db2.gz HPAWBYLTZFVHFI-ZWNOBZJWSA-N 1 0 305.765 2.061 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000090436991 185296337 /nfs/dbraw/zinc/29/63/37/185296337.db2.gz LWNHPBYDXFAOQU-ZYHUDNBSSA-N 1 0 302.296 2.187 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1c2ncsc2ccc1Cl ZINC000090432864 185296414 /nfs/dbraw/zinc/29/64/14/185296414.db2.gz FSAASTYZGUFZJV-VXNVDRBHSA-N 1 0 311.794 2.123 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1CN(C)Cc1cc(Br)cs1 ZINC000090438881 185296725 /nfs/dbraw/zinc/29/67/25/185296725.db2.gz JNAJQKVHBJYAEQ-BXKDBHETSA-N 1 0 319.268 2.177 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(Cl)ccc1F ZINC000090539992 185301606 /nfs/dbraw/zinc/30/16/06/185301606.db2.gz CPOKZEJODBMRLC-MFKMUULPSA-N 1 0 300.761 2.432 10 0 DEAERO CCCCN(CC(F)(F)F)C(=O)[C@@H]1COC[C@@H]1[NH2+]CCC ZINC000090541945 185301936 /nfs/dbraw/zinc/30/19/36/185301936.db2.gz AFWKEEFRWHHMNX-NEPJUHHUSA-N 1 0 310.360 2.192 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000090544755 185302083 /nfs/dbraw/zinc/30/20/83/185302083.db2.gz UCEPQBFMDOKYBT-RISCZKNCSA-N 1 0 314.788 2.110 10 0 DEAERO Brc1cncnc1N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000090781586 185311787 /nfs/dbraw/zinc/31/17/87/185311787.db2.gz JPIKPQWSSMPWMI-JQWIXIFHSA-N 1 0 311.227 2.208 10 0 DEAERO NC(=O)c1ccc(NCC[C@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000166826511 197699887 /nfs/dbraw/zinc/69/98/87/197699887.db2.gz PGQNUHSMLICPRN-SECBINFHSA-N 1 0 301.312 2.358 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)CCC2 ZINC000092384061 185315379 /nfs/dbraw/zinc/31/53/79/185315379.db2.gz ZBYPNIFRJWBIJJ-BBRMVZONSA-N 1 0 309.431 2.239 10 0 DEAERO C[NH2+]CCc1c(C)nn(-c2ccc(Br)cn2)c1C ZINC000092323697 185312331 /nfs/dbraw/zinc/31/23/31/185312331.db2.gz XJZOFFKQKCLHNI-UHFFFAOYSA-N 1 0 309.211 2.409 10 0 DEAERO Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000179890551 282233651 /nfs/dbraw/zinc/23/36/51/282233651.db2.gz XNSKURQADJKCIX-OAHLLOKOSA-N 1 0 320.408 2.205 10 0 DEAERO CC[N@@H+](Cc1cc(OC)c2c(c1)OCCO2)C[C@H]1CCCO1 ZINC000092407166 185316454 /nfs/dbraw/zinc/31/64/54/185316454.db2.gz JTGBGNNLJJUZBM-CQSZACIVSA-N 1 0 307.390 2.467 10 0 DEAERO CCNc1cc[nH+]c(CN2CCN(CC(F)(F)F)CC2)c1 ZINC000092419050 185317123 /nfs/dbraw/zinc/31/71/23/185317123.db2.gz LRUNUHVUTJJQLC-UHFFFAOYSA-N 1 0 302.344 2.193 10 0 DEAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1NC(C)=O ZINC000092510719 185323349 /nfs/dbraw/zinc/32/33/49/185323349.db2.gz DYKWRXOYGKVTMC-KRWDZBQOSA-N 1 0 317.433 2.478 10 0 DEAERO c1ccc2c(c1)C[C@H](C[N@@H+]1CC[C@H](N3CCOCC3)C1)S2 ZINC000092663718 185332688 /nfs/dbraw/zinc/33/26/88/185332688.db2.gz JTLYNTXFJIPLGM-JKSUJKDBSA-N 1 0 304.459 2.110 10 0 DEAERO c1ccc2c(c1)C[C@@H](C[N@@H+]1CC[C@H](N3CCOCC3)C1)S2 ZINC000092663721 185332775 /nfs/dbraw/zinc/33/27/75/185332775.db2.gz JTLYNTXFJIPLGM-HOTGVXAUSA-N 1 0 304.459 2.110 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@]12CC[NH2+]C[C@@H]2Cc1ccccc1 ZINC000092691431 185333885 /nfs/dbraw/zinc/33/38/85/185333885.db2.gz JZSUNGGWYYOKTF-GVDBMIGSSA-N 1 0 307.459 2.422 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000180595574 282262297 /nfs/dbraw/zinc/26/22/97/282262297.db2.gz RIFMXUQFWBROQZ-ZFWWWQNUSA-N 1 0 321.396 2.385 10 0 DEAERO C[C@@]1(C(=O)Cc2ccc(F)cc2Br)COC[C@H]1[NH3+] ZINC000168446785 197722696 /nfs/dbraw/zinc/72/26/96/197722696.db2.gz NHDLSSJQKDLVNS-DGCLKSJQSA-N 1 0 316.170 2.064 10 0 DEAERO CC(C)[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181551830 199315462 /nfs/dbraw/zinc/31/54/62/199315462.db2.gz OWVPIHHAWMTOKQ-PBHICJAKSA-N 1 0 319.449 2.097 10 0 DEAERO CNC(=O)c1cccnc1N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000301999527 529951922 /nfs/dbraw/zinc/95/19/22/529951922.db2.gz IMJSKFHOVTZHPD-AWEZNQCLSA-N 1 0 312.417 2.374 10 0 DEAERO CC[C@H](O)C[N@H+](CCN1CCOCC1)Cc1cc(C)ccc1C ZINC000036103818 190662475 /nfs/dbraw/zinc/66/24/75/190662475.db2.gz HKFIDFJMIDRHJH-IBGZPJMESA-N 1 0 320.477 2.209 10 0 DEAERO CCOc1c(Cl)cc([C@@H]2NN=C3CC[NH2+]C[C@@H]32)cc1OC ZINC000169966021 197762203 /nfs/dbraw/zinc/76/22/03/197762203.db2.gz ZXRQIKUHHACIFQ-HZMBPMFUSA-N 1 0 309.797 2.357 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)COc1ccccc1Cl ZINC000085986383 539401788 /nfs/dbraw/zinc/40/17/88/539401788.db2.gz HXWUWJPBUVFKLE-GUTXKFCHSA-N 1 0 313.825 2.220 10 0 DEAERO C[N@@H+]1CCC[C@]2(CCN(c3ncnc4c3ncn4C3CC3)C2)C1 ZINC000292924487 530065682 /nfs/dbraw/zinc/06/56/82/530065682.db2.gz YUPAEMDGJJDYDB-KRWDZBQOSA-N 1 0 312.421 2.083 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3CCCCNC3=O)CC[C@@H]21 ZINC000328877159 530058404 /nfs/dbraw/zinc/05/84/04/530058404.db2.gz TUCZJKHVPNBZMN-ZNMIVQPWSA-N 1 0 307.438 2.076 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457429 539412325 /nfs/dbraw/zinc/41/23/25/539412325.db2.gz PHYKPZYMSHYIFO-KOLCDFICSA-N 1 0 315.211 2.376 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC000195067457 282368203 /nfs/dbraw/zinc/36/82/03/282368203.db2.gz GCJFJPZVFUQASY-JKSUJKDBSA-N 1 0 306.454 2.298 10 0 DEAERO C[C@@H](NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000061368971 190693872 /nfs/dbraw/zinc/69/38/72/190693872.db2.gz REUYIUAIBBUFNX-YPMHNXCESA-N 1 0 302.465 2.261 10 0 DEAERO CC1(OCC(=O)Nc2cccc(-c3nccs3)c2)C[NH2+]C1 ZINC000098060180 539435968 /nfs/dbraw/zinc/43/59/68/539435968.db2.gz XQYAOIQDDLWHNK-UHFFFAOYSA-N 1 0 303.387 2.127 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000245416272 282386216 /nfs/dbraw/zinc/38/62/16/282386216.db2.gz DZRKKPPASPACLT-TWMKSMIVSA-N 1 0 307.482 2.335 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000132736226 539504641 /nfs/dbraw/zinc/50/46/41/539504641.db2.gz QXCVXNOQETXRSI-CYBMUJFWSA-N 1 0 309.435 2.161 10 0 DEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000136326579 539518048 /nfs/dbraw/zinc/51/80/48/539518048.db2.gz VREACSOASAPIGI-JTQLQIEISA-N 1 0 305.300 2.335 10 0 DEAERO COCCCSC[C@]([NH2+]C(C)C)(C(N)=O)c1ccccc1 ZINC000111660437 185622507 /nfs/dbraw/zinc/62/25/07/185622507.db2.gz JTBKATXAMRQSMC-MRXNPFEDSA-N 1 0 310.463 2.135 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000114926912 185650339 /nfs/dbraw/zinc/65/03/39/185650339.db2.gz RMNXFMYHDRSHPR-UONOGXRCSA-N 1 0 307.442 2.029 10 0 DEAERO CC(C)(C)c1ccc(OCC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000236592491 201930866 /nfs/dbraw/zinc/93/08/66/201930866.db2.gz JDDPLRVALAVSRC-AWEZNQCLSA-N 1 0 304.434 2.479 10 0 DEAERO Cc1n[nH]cc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279682853 215060122 /nfs/dbraw/zinc/06/01/22/215060122.db2.gz HJZCRAXJZQDQQT-YPMHNXCESA-N 1 0 308.426 2.453 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(Br)c(F)c2)CCO1 ZINC000123808524 185844464 /nfs/dbraw/zinc/84/44/64/185844464.db2.gz PCCNORSMKZEHSG-ZANVPECISA-N 1 0 317.202 2.136 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)[C@H]1Cc2ccccc2O1 ZINC000126653844 185881610 /nfs/dbraw/zinc/88/16/10/185881610.db2.gz KBBJYNRGPRSFBB-GOEBONIOSA-N 1 0 311.447 2.183 10 0 DEAERO C[C@H]1CCC[C@@H](C[NH3+])N1CC(=O)NCc1ccccc1Cl ZINC000070155545 190863455 /nfs/dbraw/zinc/86/34/55/190863455.db2.gz SPAHGAYOHKAHKG-JSGCOSHPSA-N 1 0 309.841 2.158 10 0 DEAERO COCCN1CC[C@H]([NH3+])[C@@H]1c1ccc(OC)c(OC)c1Cl ZINC000070300341 190878303 /nfs/dbraw/zinc/87/83/03/190878303.db2.gz SCXOVFMKDHHSHF-FZMZJTMJSA-N 1 0 314.813 2.078 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](n2ccnc2)C1 ZINC000616603935 362896435 /nfs/dbraw/zinc/89/64/35/362896435.db2.gz YSLRIODBVVMFON-AWEZNQCLSA-N 1 0 308.426 2.435 10 0 DEAERO COc1ccnc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000180195296 539644209 /nfs/dbraw/zinc/64/42/09/539644209.db2.gz HRPVVIOBTKKGEN-RDJZCZTQSA-N 1 0 311.385 2.265 10 0 DEAERO [NH3+][C@H]1CCCN(c2ccc(-c3nc(-c4cccnc4)no3)cn2)C1 ZINC000070457846 190897328 /nfs/dbraw/zinc/89/73/28/190897328.db2.gz VSTJHBFZJBCBKE-AWEZNQCLSA-N 1 0 322.372 2.121 10 0 DEAERO [NH3+][C@@H]1CCCN(c2ccc(-c3nc(-c4ccccn4)no3)cn2)C1 ZINC000070457833 190897339 /nfs/dbraw/zinc/89/73/39/190897339.db2.gz IZMJKHCCMKHMGU-CYBMUJFWSA-N 1 0 322.372 2.121 10 0 DEAERO Cc1nn(C)c(Oc2cncc(Br)c2)c1CC[NH3+] ZINC000070488515 190902509 /nfs/dbraw/zinc/90/25/09/190902509.db2.gz TZHZAFQFPGHJOA-UHFFFAOYSA-N 1 0 311.183 2.180 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000183224010 539660359 /nfs/dbraw/zinc/66/03/59/539660359.db2.gz BHWHWLNAAIVXTN-WQGACYEGSA-N 1 0 304.390 2.373 10 0 DEAERO Cc1cccc(OCCCNC(=O)C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000183197348 539660402 /nfs/dbraw/zinc/66/04/02/539660402.db2.gz VCENULKSKXABJG-NVXWUHKLSA-N 1 0 320.433 2.037 10 0 DEAERO Cc1nnc(CN2CCC[C@@H]2C[NH+]2CCCCC2)n1C1CC1 ZINC000170784590 197823757 /nfs/dbraw/zinc/82/37/57/197823757.db2.gz BAIXANBXMXFKCX-MRXNPFEDSA-N 1 0 303.454 2.372 10 0 DEAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)C(C)C ZINC000183652561 539663939 /nfs/dbraw/zinc/66/39/39/539663939.db2.gz GTNLCCIVLKGVTD-QGZVFWFLSA-N 1 0 313.401 2.139 10 0 DEAERO COc1ccc(C[NH2+]CCCc2nnc[nH]2)c(Cl)c1OC ZINC000080566629 192167638 /nfs/dbraw/zinc/16/76/38/192167638.db2.gz JZRXJFCROWVTIJ-UHFFFAOYSA-N 1 0 310.785 2.198 10 0 DEAERO C[C@@H]([NH2+]CCN1C(=O)CCC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000186040451 539673781 /nfs/dbraw/zinc/67/37/81/539673781.db2.gz PYZBYDYZGXHSGH-QLFDAEIZSA-N 1 0 304.434 2.330 10 0 DEAERO Fc1ccc(Br)cc1C[NH2+]CCCc1nnc[nH]1 ZINC000080567965 192167904 /nfs/dbraw/zinc/16/79/04/192167904.db2.gz ZNRGINSQHHPVCR-UHFFFAOYSA-N 1 0 313.174 2.429 10 0 DEAERO COC[C@@H](C)C[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000187227692 539678607 /nfs/dbraw/zinc/67/86/07/539678607.db2.gz CFQWYWXVLRSZDD-HNNXBMFYSA-N 1 0 308.470 2.038 10 0 DEAERO Fc1cc(Br)ccc1C[NH2+]CCCc1nnc[nH]1 ZINC000080568318 192168171 /nfs/dbraw/zinc/16/81/71/192168171.db2.gz MORPEWUJUOANHA-UHFFFAOYSA-N 1 0 313.174 2.429 10 0 DEAERO CCOc1ccccc1NC(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000193818334 539715520 /nfs/dbraw/zinc/71/55/20/539715520.db2.gz QZQSNEOBLRIZHY-CQSZACIVSA-N 1 0 319.449 2.438 10 0 DEAERO [NH3+][C@@H](C[S@@](=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000084030529 192396425 /nfs/dbraw/zinc/39/64/25/192396425.db2.gz ZZHCSZPSVCSUHK-YBTHPKLGSA-N 1 0 309.412 2.327 10 0 DEAERO C[NH2+][C@H](C[S@@](=O)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000084052354 192397919 /nfs/dbraw/zinc/39/79/19/192397919.db2.gz PBHXRHTVWKUVEY-SZNDQCEHSA-N 1 0 309.431 2.410 10 0 DEAERO C[NH2+][C@H](C)c1ccc(OC)c(C[S@](=O)C2CCOCC2)c1 ZINC000084053092 192398297 /nfs/dbraw/zinc/39/82/97/192398297.db2.gz WPGRPKVDLORICF-XUSGNXJCSA-N 1 0 311.447 2.403 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000220526722 539728117 /nfs/dbraw/zinc/72/81/17/539728117.db2.gz RJTJJZDKBWHOJU-KBPBESRZSA-N 1 0 306.454 2.141 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000220526588 539728175 /nfs/dbraw/zinc/72/81/75/539728175.db2.gz RJTJJZDKBWHOJU-UONOGXRCSA-N 1 0 306.454 2.141 10 0 DEAERO CC[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000080599501 192171148 /nfs/dbraw/zinc/17/11/48/192171148.db2.gz RPVFOWXAZPIWMM-HNNXBMFYSA-N 1 0 310.486 2.034 10 0 DEAERO C[NH+](C)CCn1c(CCNC(=O)C2CCC2)nc2ccccc21 ZINC000071482765 190984271 /nfs/dbraw/zinc/98/42/71/190984271.db2.gz QPACESPROVIUJC-UHFFFAOYSA-N 1 0 314.433 2.057 10 0 DEAERO Cc1oc(-c2ccsc2)nc1CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170868356 197841922 /nfs/dbraw/zinc/84/19/22/197841922.db2.gz RWXBOFCGBXPPTQ-ZDUSSCGKSA-N 1 0 319.430 2.417 10 0 DEAERO COC(=O)[C@H](C)CN(CCC[NH+](C)C)C(=O)C1CCCCC1 ZINC000071605248 190992426 /nfs/dbraw/zinc/99/24/26/190992426.db2.gz FSYLHZYYTNVJKK-CQSZACIVSA-N 1 0 312.454 2.156 10 0 DEAERO COc1cc2c(c(OC)c1OC)[C@H](C[NH3+])N(c1cccnc1)C2 ZINC000071684618 191008084 /nfs/dbraw/zinc/00/80/84/191008084.db2.gz NDOLEYXMVUGFTA-ZDUSSCGKSA-N 1 0 315.373 2.127 10 0 DEAERO CC(=O)c1ccc(NC(=O)Cc2csc(CCC[NH3+])n2)cc1 ZINC000071695473 191008603 /nfs/dbraw/zinc/00/86/03/191008603.db2.gz FDWRSKKYAHUNAI-UHFFFAOYSA-N 1 0 317.414 2.418 10 0 DEAERO Cc1ccc(CNC(=O)Cc2csc(CCC[NH3+])n2)cc1 ZINC000071694688 191009093 /nfs/dbraw/zinc/00/90/93/191009093.db2.gz RIKOEIZTQTZSRQ-UHFFFAOYSA-N 1 0 303.431 2.202 10 0 DEAERO [NH3+]C[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000333836884 282978262 /nfs/dbraw/zinc/97/82/62/282978262.db2.gz UKRGWGUOCWOYCC-OLUVUFQESA-N 1 0 311.788 2.325 10 0 DEAERO COC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CCOC2(CCSCC2)C1 ZINC000133694382 186007543 /nfs/dbraw/zinc/00/75/43/186007543.db2.gz PUQGDISYSLZOEU-KGLIPLIRSA-N 1 0 313.463 2.459 10 0 DEAERO CC(=O)NC1CCN([C@@H](c2cccc(Cl)c2)[C@@H](C)[NH3+])CC1 ZINC000133725010 186009957 /nfs/dbraw/zinc/00/99/57/186009957.db2.gz SSYAJLXVSPDARX-BDJLRTHQSA-N 1 0 309.841 2.329 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)CC(C)C)c1 ZINC000138456270 186016974 /nfs/dbraw/zinc/01/69/74/186016974.db2.gz HGBMOMMCCURBBR-UHFFFAOYSA-N 1 0 320.405 2.351 10 0 DEAERO CCN(C1CCCC1)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138493138 186017250 /nfs/dbraw/zinc/01/72/50/186017250.db2.gz UEVQPWSDZPUGRL-UHFFFAOYSA-N 1 0 318.389 2.377 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c([C@H]3CCCC[C@H]3C[NH3+])nc21 ZINC000138143198 186014149 /nfs/dbraw/zinc/01/41/49/186014149.db2.gz POHXANCPVCUWOG-QWRGUYRKSA-N 1 0 307.419 2.199 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CCC(C)(C)C2)c1 ZINC000139200274 186020771 /nfs/dbraw/zinc/02/07/71/186020771.db2.gz ZMHAJLDFOWFOCZ-UHFFFAOYSA-N 1 0 318.389 2.105 10 0 DEAERO C[C@H](C[NH3+])CCc1nc(-c2ncccc2Br)no1 ZINC000139897984 186024531 /nfs/dbraw/zinc/02/45/31/186024531.db2.gz LQZYGWYMSICMOL-QMMMGPOBSA-N 1 0 311.183 2.422 10 0 DEAERO CC[C@@H]1N[C@@H](c2cccs2)N(C[C@@H]2CCC[N@@H+]2CC)C1=O ZINC000140298506 186026175 /nfs/dbraw/zinc/02/61/75/186026175.db2.gz SXJHZMOASBURJL-KCQAQPDRSA-N 1 0 307.463 2.441 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN1C(=O)C2(CC2)N[C@H]1c1ccsc1 ZINC000140284894 186026406 /nfs/dbraw/zinc/02/64/06/186026406.db2.gz QZFYXDDRBLXALQ-UONOGXRCSA-N 1 0 305.447 2.195 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(F)cc1Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000142252148 186031889 /nfs/dbraw/zinc/03/18/89/186031889.db2.gz CPZVIXFICCUFRA-ZWNOBZJWSA-N 1 0 319.829 2.434 10 0 DEAERO Cc1c(OCc2cccc(Br)c2)nc[nH+]c1NN ZINC000147822627 186041861 /nfs/dbraw/zinc/04/18/61/186041861.db2.gz RHZKFEZLBBKOMF-UHFFFAOYSA-N 1 0 309.167 2.412 10 0 DEAERO C[C@@]1(c2noc([C@@]3(C(F)(F)F)CC[NH2+]C3)n2)CCCCO1 ZINC000148023969 186042602 /nfs/dbraw/zinc/04/26/02/186042602.db2.gz KASBMLHMSNGMMD-NWDGAFQWSA-N 1 0 305.300 2.279 10 0 DEAERO C[C@H]1OCC[C@]1(C[NH3+])N(C)Cc1cccc(Br)c1 ZINC000147945654 186042759 /nfs/dbraw/zinc/04/27/59/186042759.db2.gz KKDMBLKZHZWMQQ-BXUZGUMPSA-N 1 0 313.239 2.387 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1cccc(Br)c1 ZINC000148106136 186042903 /nfs/dbraw/zinc/04/29/03/186042903.db2.gz VVXADSAJANAAQF-OPQQBVKSSA-N 1 0 311.223 2.482 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1C(=O)C2(CC2)N[C@H]1c1ccsc1 ZINC000144334021 186035300 /nfs/dbraw/zinc/03/53/00/186035300.db2.gz VJFRSMUXSIAUEI-UONOGXRCSA-N 1 0 305.447 2.195 10 0 DEAERO C[N@@H+]1CC[C@@H](N2C(=O)C3(CCCC3)N[C@H]2c2ccsc2)C1 ZINC000145216310 186036487 /nfs/dbraw/zinc/03/64/87/186036487.db2.gz HRKOFVPIQOKVGI-ZIAGYGMSSA-N 1 0 305.447 2.195 10 0 DEAERO Cc1ccc([C@H]2NCC(=O)N2C[C@H](C)[NH+]2CCCCC2)s1 ZINC000145700624 186037716 /nfs/dbraw/zinc/03/77/16/186037716.db2.gz OYPVRGSOEGRIGV-LRDDRELGSA-N 1 0 307.463 2.361 10 0 DEAERO [NH3+][C@@H](c1sccc1Br)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000147273627 186038972 /nfs/dbraw/zinc/03/89/72/186038972.db2.gz DLTZADOBQMPTED-DVVUODLYSA-N 1 0 317.252 2.374 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000150113107 186055143 /nfs/dbraw/zinc/05/51/43/186055143.db2.gz HFZHVVIFTZYMLD-SJORKVTESA-N 1 0 307.459 2.131 10 0 DEAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000149259108 186048202 /nfs/dbraw/zinc/04/82/02/186048202.db2.gz KVCPCKVSMFMHKC-ZIAGYGMSSA-N 1 0 310.463 2.179 10 0 DEAERO C[C@H](CS(=O)(=O)N1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000149510150 186050809 /nfs/dbraw/zinc/05/08/09/186050809.db2.gz MEKAAZOHNHJKJM-CQSZACIVSA-N 1 0 310.463 2.181 10 0 DEAERO C[C@@H](C[NH3+])CC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000150016233 186054254 /nfs/dbraw/zinc/05/42/54/186054254.db2.gz YJPJDWBXFWVCNP-LLVKDONJSA-N 1 0 315.870 2.031 10 0 DEAERO C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000150093111 186054419 /nfs/dbraw/zinc/05/44/19/186054419.db2.gz GZPINDMAPOUQIS-PWSUYJOCSA-N 1 0 323.336 2.280 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1coc(Br)c1 ZINC000268103099 539794017 /nfs/dbraw/zinc/79/40/17/539794017.db2.gz IDWZGSKKHZCJAQ-JTQLQIEISA-N 1 0 301.184 2.208 10 0 DEAERO CCc1nn(C)c(Cl)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155710162 186105842 /nfs/dbraw/zinc/10/58/42/186105842.db2.gz HQKNLFGFEORYPK-CMPLNLGQSA-N 1 0 312.845 2.094 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)s1 ZINC000155811939 186114802 /nfs/dbraw/zinc/11/48/02/186114802.db2.gz VSGXFVFCIGWAKI-CYBMUJFWSA-N 1 0 316.492 2.496 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000155822808 186115875 /nfs/dbraw/zinc/11/58/75/186115875.db2.gz BXINQMQWJIEQSV-KGLIPLIRSA-N 1 0 301.475 2.059 10 0 DEAERO CCC[C@@H](C(=O)NC[C@](C)(O)c1ccccc1Cl)[NH+](C)C ZINC000155865776 186119076 /nfs/dbraw/zinc/11/90/76/186119076.db2.gz TVTDMZZPRSZTSC-HOCLYGCPSA-N 1 0 312.841 2.394 10 0 DEAERO COc1ccc(C[NH2+]C[C@@H](C)[S@@](C)=O)cc1OC(F)F ZINC000159644972 186132461 /nfs/dbraw/zinc/13/24/61/186132461.db2.gz XYTHRWYYNHRCEQ-YBYGRFCBSA-N 1 0 307.362 2.153 10 0 DEAERO CCOC(=O)NCC[NH2+]Cc1cc(Br)cs1 ZINC000163929544 186142798 /nfs/dbraw/zinc/14/27/98/186142798.db2.gz BFUJBIVOARURSW-UHFFFAOYSA-N 1 0 307.213 2.346 10 0 DEAERO CCN1CCO[C@@H](C[NH3+])[C@@H]1c1ccc(C)cc1Br ZINC000164306783 186155278 /nfs/dbraw/zinc/15/52/78/186155278.db2.gz NJEBUPNAIIAYQO-KBPBESRZSA-N 1 0 313.239 2.478 10 0 DEAERO CN(CC1CC(O)C1)c1ccc(C(F)(F)F)c(C(N)=[NH2+])c1 ZINC000164310823 186155932 /nfs/dbraw/zinc/15/59/32/186155932.db2.gz HBHFCKDMKZTZTD-UHFFFAOYSA-N 1 0 301.312 2.197 10 0 DEAERO Cn1ncc(Br)c1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000164479791 186159389 /nfs/dbraw/zinc/15/93/89/186159389.db2.gz OLPKAZLZKQOXEL-PBINXNQUSA-N 1 0 312.211 2.286 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000173344478 186178703 /nfs/dbraw/zinc/17/87/03/186178703.db2.gz HPIBMPXOJMCGPG-DOTOQJQBSA-N 1 0 319.449 2.327 10 0 DEAERO CSCc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000189964163 186256372 /nfs/dbraw/zinc/25/63/72/186256372.db2.gz SWBHFJUEPSLKOB-HNNXBMFYSA-N 1 0 307.463 2.443 10 0 DEAERO C=Cn1cc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000194227158 186270955 /nfs/dbraw/zinc/27/09/55/186270955.db2.gz GZVAIJZIBJSMMH-GFCCVEGCSA-N 1 0 305.403 2.238 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2cnc(-c3ccco3)s2)CCO1 ZINC000194295442 186277961 /nfs/dbraw/zinc/27/79/61/186277961.db2.gz NHRKACYOUSFGCL-LBPRGKRZSA-N 1 0 307.419 2.166 10 0 DEAERO CC(C)Cc1nnc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000171886639 198000867 /nfs/dbraw/zinc/00/08/67/198000867.db2.gz BNXKPRABZRNOSI-NSHDSACASA-N 1 0 309.439 2.049 10 0 DEAERO CC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171889820 198002288 /nfs/dbraw/zinc/00/22/88/198002288.db2.gz LVLWLQXQLCKVGF-OAHLLOKOSA-N 1 0 316.405 2.265 10 0 DEAERO C[C@@H](C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccccc1 ZINC000172011295 198025599 /nfs/dbraw/zinc/02/55/99/198025599.db2.gz ANENJBUGCDUZDD-WMZOPIPTSA-N 1 0 316.445 2.361 10 0 DEAERO CC(=O)c1ccccc1OCCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000172081937 198036912 /nfs/dbraw/zinc/03/69/12/198036912.db2.gz HGDGBSHEGUKFJG-GOEBONIOSA-N 1 0 302.418 2.437 10 0 DEAERO CCC[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000172116231 198041650 /nfs/dbraw/zinc/04/16/50/198041650.db2.gz HGKYBWDBUOKYQE-DLBZAZTESA-N 1 0 319.449 2.500 10 0 DEAERO COc1cccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1O ZINC000172413090 198094222 /nfs/dbraw/zinc/09/42/22/198094222.db2.gz LMOQAMFVACBRDV-UHFFFAOYSA-N 1 0 318.417 2.491 10 0 DEAERO c1ccc(-c2nc3c(c(N4CC[N@@H+]5CCC[C@@H]5C4)n2)CCC3)nc1 ZINC000172328066 198080134 /nfs/dbraw/zinc/08/01/34/198080134.db2.gz LPTYOMTZKIWNIY-CQSZACIVSA-N 1 0 321.428 2.312 10 0 DEAERO C[C@@H]1CSCCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000172559240 198115032 /nfs/dbraw/zinc/11/50/32/198115032.db2.gz ZOFUZSKOKOWVDJ-ZBFHGGJFSA-N 1 0 321.490 2.306 10 0 DEAERO Cc1ccccc1NC(=O)[C@@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172801157 198150618 /nfs/dbraw/zinc/15/06/18/198150618.db2.gz RLDASSVKENOTCI-HZPDHXFCSA-N 1 0 301.434 2.492 10 0 DEAERO Cc1ccc(C)c(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000172804283 198151666 /nfs/dbraw/zinc/15/16/66/198151666.db2.gz QZRKNLMNLUVLKF-MRXNPFEDSA-N 1 0 301.434 2.412 10 0 DEAERO C[C@@H]1C[C@@H]([N@H+](C)CCCS(=O)(=O)c2ccccc2)CCN1C ZINC000172846463 198157365 /nfs/dbraw/zinc/15/73/65/198157365.db2.gz 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356304045 /nfs/dbraw/zinc/30/40/45/356304045.db2.gz JSROMDOMEIRJNJ-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO [NH3+]Cc1cc(I)cc(OC(F)(F)F)n1 ZINC000238664621 356304994 /nfs/dbraw/zinc/30/49/94/356304994.db2.gz BPTJUXAUZPKVDE-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO CC[C@@](C)(CO)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000080897992 192199025 /nfs/dbraw/zinc/19/90/25/192199025.db2.gz ZODKPBCFSKUPTD-OLZOCXBDSA-N 1 0 302.212 2.233 10 0 DEAERO C[C@@H]1CCC[C@@]([NH3+])(CNCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000080934499 192202124 /nfs/dbraw/zinc/20/21/24/192202124.db2.gz SDFWYGIEIAICAO-CJNGLKHVSA-N 1 0 310.463 2.087 10 0 DEAERO CC(C)[C@H](C(=O)NCc1ccccc1-n1cccn1)[C@H](C)[NH3+] ZINC000399741949 283154325 /nfs/dbraw/zinc/15/43/25/283154325.db2.gz QDCABOHOPKRZKA-BBRMVZONSA-N 1 0 300.406 2.108 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400715950 283158565 /nfs/dbraw/zinc/15/85/65/283158565.db2.gz NHCGWEDTRZDFAY-GBJTYRQASA-N 1 0 312.454 2.383 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400715948 283158583 /nfs/dbraw/zinc/15/85/83/283158583.db2.gz NHCGWEDTRZDFAY-BYNSBNAKSA-N 1 0 312.454 2.383 10 0 DEAERO COC[C@@H]1CCN([C@@H](C[NH3+])c2cc3c(c(Cl)c2)OCO3)C1 ZINC000081049291 192219251 /nfs/dbraw/zinc/21/92/51/192219251.db2.gz IDCPYOGHVYWEEL-MFKMUULPSA-N 1 0 312.797 2.037 10 0 DEAERO Cn1c(Cl)cnc1CN(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328606275 356459920 /nfs/dbraw/zinc/45/99/20/356459920.db2.gz QXAKCTSVNXGHJJ-AWEZNQCLSA-N 1 0 319.840 2.080 10 0 DEAERO Cc1noc([C@@H]2CC[C@H](C[NH2+]Cc3cnc4ccccn34)O2)n1 ZINC000328618706 356460548 /nfs/dbraw/zinc/46/05/48/356460548.db2.gz DYLTXZPZUBWIHU-KGLIPLIRSA-N 1 0 313.361 2.036 10 0 DEAERO FC(F)(F)c1cn2c(n1)CC[C@@H](C[NH2+]Cc1csnn1)C2 ZINC000328624253 356463067 /nfs/dbraw/zinc/46/30/67/356463067.db2.gz CILQNRZLZLOMBN-QMMMGPOBSA-N 1 0 317.340 2.106 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCn2cnnc2C1 ZINC000081530483 192284564 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Cc1cccc(CC[NH2+]CCN2C(=O)c3ccccc3C2=O)c1 ZINC000447811146 239109917 /nfs/dbraw/zinc/10/99/17/239109917.db2.gz CXAFMHOKQAKPLN-UHFFFAOYSA-N 1 0 308.381 2.423 10 0 DEAERO CCCCOC[C@H](O)CN1CCO[C@H](Cc2ccccc2)C1 ZINC000195215348 201360265 /nfs/dbraw/zinc/36/02/65/201360265.db2.gz IWSHHWRIFJJDLM-QZTJIDSGSA-N 1 0 307.434 2.108 10 0 DEAERO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000448366774 239324187 /nfs/dbraw/zinc/32/41/87/239324187.db2.gz OAEWJJUWRANSEX-WMLDXEAASA-N 1 0 300.406 2.393 10 0 DEAERO CO[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620192799 363988063 /nfs/dbraw/zinc/98/80/63/363988063.db2.gz UMSSTOBFQBZGTF-NVXWUHKLSA-N 1 0 316.445 2.440 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)ccn1 ZINC000628476917 366862005 /nfs/dbraw/zinc/86/20/05/366862005.db2.gz WEPUNBZTUJGUKK-ZJPYXAASSA-N 1 0 301.434 2.061 10 0 DEAERO c1cc(CN2CC[NH+]3CCC2CC3)n(CCc2ccccc2)n1 ZINC000621727550 364527775 /nfs/dbraw/zinc/52/77/75/364527775.db2.gz IHOFSXLECXTTGB-UHFFFAOYSA-N 1 0 310.445 2.406 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+]CCc2nc(C)no2)c2ccccc21 ZINC000621754382 364536335 /nfs/dbraw/zinc/53/63/35/364536335.db2.gz DFQWFVYITYFQHM-CQSZACIVSA-N 1 0 300.362 2.008 10 0 DEAERO C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1csc(CC[NH3+])n1 ZINC000090949607 192962333 /nfs/dbraw/zinc/96/23/33/192962333.db2.gz DDWIEMLNJQKKKV-QMMMGPOBSA-N 1 0 321.368 2.447 10 0 DEAERO Cc1nn(C)c(Cn2cccc2C[C@H](C)[NH3+])c1Br ZINC000091005290 192970336 /nfs/dbraw/zinc/97/03/36/192970336.db2.gz HCZYVUVOYXJSLV-VIFPVBQESA-N 1 0 311.227 2.231 10 0 DEAERO O=C(C[C@H]1C[NH2+]CCO1)Nc1nc2ccc(Cl)cc2s1 ZINC000091298925 193033684 /nfs/dbraw/zinc/03/36/84/193033684.db2.gz YAJGKUIYIHHEKQ-VIFPVBQESA-N 1 0 311.794 2.267 10 0 DEAERO CC(C)(C)OC(=O)N1Cc2cn(CC3CC3)nc2[C@H](CC[NH3+])C1 ZINC000091302927 193036004 /nfs/dbraw/zinc/03/60/04/193036004.db2.gz ZINFDBPZNZMFMB-CYBMUJFWSA-N 1 0 320.437 2.476 10 0 DEAERO CC(C)[NH2+]Cc1c(N(C)CC2CC(O)C2)nc2sccn12 ZINC000091451382 193058434 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CCC[NH2+][C@@H](CCCS(C)(=O)=O)[C@@](C)(CC)N1CCCC1 ZINC000091607825 193079449 /nfs/dbraw/zinc/07/94/49/193079449.db2.gz NICIDWZDPLJKAX-JKSUJKDBSA-N 1 0 318.527 2.444 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cccc(Br)c1 ZINC000624172601 365317821 /nfs/dbraw/zinc/31/78/21/365317821.db2.gz QHPOZDNZMJSGSD-BXUZGUMPSA-N 1 0 313.239 2.430 10 0 DEAERO CCc1nn(CC)c(C[C@@](C)(O)CC[NH2+]CCOC)c1Cl ZINC000091504432 193065892 /nfs/dbraw/zinc/06/58/92/193065892.db2.gz UJSHKXZUZWCOJH-HNNXBMFYSA-N 1 0 317.861 2.038 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)C1(N(C)C)CCC(C)CC1 ZINC000091649046 193085182 /nfs/dbraw/zinc/08/51/82/193085182.db2.gz ZVKBOYIPDRSANY-HWOWSKLDSA-N 1 0 318.527 2.300 10 0 DEAERO CCS(=O)(=O)CCC[C@H](O)C1([NH+](C)C)CCC(C)CC1 ZINC000091648627 193085290 /nfs/dbraw/zinc/08/52/90/193085290.db2.gz JTAVOHWATPJGPL-SLTAFYQDSA-N 1 0 305.484 2.073 10 0 DEAERO Nc1c2ncsc2ccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662814 193086672 /nfs/dbraw/zinc/08/66/72/193086672.db2.gz BQDIQVVAXIUISU-MNOVXSKESA-N 1 0 304.419 2.154 10 0 DEAERO O=C1N(Cc2c(Cl)cccc2Cl)C[C@@H]2C[NH2+]CCN12 ZINC000091750822 193101331 /nfs/dbraw/zinc/10/13/31/193101331.db2.gz DLIUFULUOVCQKK-VIFPVBQESA-N 1 0 300.189 2.203 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)N1CCCC[C@H]1c1nccs1 ZINC000133672418 283864070 /nfs/dbraw/zinc/86/40/70/283864070.db2.gz SFKCUYCZRFWSEA-NEPJUHHUSA-N 1 0 311.476 2.292 10 0 DEAERO CC(C)CCCNC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000091845869 193116663 /nfs/dbraw/zinc/11/66/63/193116663.db2.gz DCXUXKDPMDCDOS-KRWDZBQOSA-N 1 0 324.513 2.234 10 0 DEAERO CN(c1ccccc1S(=O)(=O)C(F)F)C1CCC([NH3+])CC1 ZINC000091848180 193117180 /nfs/dbraw/zinc/11/71/80/193117180.db2.gz KWHMYWPNHFOFRU-UHFFFAOYSA-N 1 0 318.389 2.389 10 0 DEAERO [NH3+]CC1([C@@H](O)c2ccc(F)c(Br)c2)CCOCC1 ZINC000091911793 193125142 /nfs/dbraw/zinc/12/51/42/193125142.db2.gz QDDLLUJHFVHLEM-LBPRGKRZSA-N 1 0 318.186 2.377 10 0 DEAERO [NH3+]CC1([C@H](O)c2ccccc2Br)CCOCC1 ZINC000091911432 193125290 /nfs/dbraw/zinc/12/52/90/193125290.db2.gz MSDPDEYDHXSXBH-GFCCVEGCSA-N 1 0 300.196 2.238 10 0 DEAERO CC[C@@H](C[NH3+])[C@H](O)c1cc2c(c(Br)c1)OCO2 ZINC000091909237 193125374 /nfs/dbraw/zinc/12/53/74/193125374.db2.gz KILTXOIPFWCYTN-CPCISQLKSA-N 1 0 302.168 2.196 10 0 DEAERO Cc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1C ZINC000092044946 193145869 /nfs/dbraw/zinc/14/58/69/193145869.db2.gz PIWTTXSYASXKGP-KRWDZBQOSA-N 1 0 322.474 2.303 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(Cl)ccc1OC[C@H]1CN(C)CCO1 ZINC000092060657 193149986 /nfs/dbraw/zinc/14/99/86/193149986.db2.gz VYEZJKZGXCUSFW-LSDHHAIUSA-N 1 0 312.841 2.329 10 0 DEAERO CN(Cc1cccnc1C(F)(F)F)[C@@H](C[NH3+])C(F)(F)F ZINC000629548767 367244549 /nfs/dbraw/zinc/24/45/49/367244549.db2.gz SJXGFTBLTMZXGQ-QMMMGPOBSA-N 1 0 301.234 2.422 10 0 DEAERO C[NH2+]CCOCCN(C)Cc1cc(Br)ccc1F ZINC000629568890 367254332 /nfs/dbraw/zinc/25/43/32/367254332.db2.gz MEUPQBVPDWUHBA-UHFFFAOYSA-N 1 0 319.218 2.256 10 0 DEAERO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCCC12CCC2 ZINC000445147685 283932375 /nfs/dbraw/zinc/93/23/75/283932375.db2.gz FJHXSTSOGSFFPL-HNNXBMFYSA-N 1 0 321.465 2.215 10 0 DEAERO CO[C@@H]1CN(Cc2cccc(Br)c2)[C@@](C)(C[NH3+])C1 ZINC000630366517 367613105 /nfs/dbraw/zinc/61/31/05/367613105.db2.gz LSUPSFVJDUDAMH-UONOGXRCSA-N 1 0 313.239 2.387 10 0 DEAERO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C(N)=S)c2)C[C@H]1C ZINC000092085472 193155302 /nfs/dbraw/zinc/15/53/02/193155302.db2.gz NEXXMCYWOOOHDT-TXEJJXNPSA-N 1 0 305.447 2.237 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)cc1 ZINC000092091436 193155913 /nfs/dbraw/zinc/15/59/13/193155913.db2.gz JEMKEIGZHVPEOM-OKILXGFUSA-N 1 0 310.463 2.461 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(Cc3cnn(C(C)(C)C)c3)CC2)CCO1 ZINC000092091161 193156286 /nfs/dbraw/zinc/15/62/86/193156286.db2.gz YFGIJBGRCRLAER-OAHLLOKOSA-N 1 0 320.481 2.323 10 0 DEAERO CC[NH2+]Cc1csc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092113453 193161065 /nfs/dbraw/zinc/16/10/65/193161065.db2.gz CXSSRQHABRSTPE-QWRGUYRKSA-N 1 0 302.465 2.134 10 0 DEAERO CC[NH2+]Cc1ccc(F)c(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092113457 193161891 /nfs/dbraw/zinc/16/18/91/193161891.db2.gz PLDXHFDLOIEUHN-TXEJJXNPSA-N 1 0 314.426 2.212 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C[NH3+])c2F)C[C@@H]1C ZINC000092113812 193161922 /nfs/dbraw/zinc/16/19/22/193161922.db2.gz GFVUCGZRJHPEKB-IUCAKERBSA-N 1 0 320.817 2.214 10 0 DEAERO C[C@@H](N(C)S(=O)(=O)c1ccc(C[NH3+])cc1F)C(C)(C)C ZINC000092115979 193164268 /nfs/dbraw/zinc/16/42/68/193164268.db2.gz WXEJCIGJJOSSEN-SNVBAGLBSA-N 1 0 302.415 2.340 10 0 DEAERO C[NH2+]C[C@H](C)C(=O)Nc1cc(Br)ccc1N(C)C ZINC000092133659 193166515 /nfs/dbraw/zinc/16/65/15/193166515.db2.gz GONYEXCFRMFQHO-VIFPVBQESA-N 1 0 314.227 2.309 10 0 DEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000631182960 368066790 /nfs/dbraw/zinc/06/67/90/368066790.db2.gz GPQZPKKOEZKMPE-MNOVXSKESA-N 1 0 320.614 2.342 10 0 DEAERO c1ccc(COc2ccnc(N3CC([NH+]4CCCC4)C3)n2)cc1 ZINC000631354187 368170705 /nfs/dbraw/zinc/17/07/05/368170705.db2.gz YQQNHYGKVPZSBD-UHFFFAOYSA-N 1 0 310.401 2.340 10 0 DEAERO COc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1Br ZINC000092208445 193173659 /nfs/dbraw/zinc/17/36/59/193173659.db2.gz MXOCRFJFYNENEK-BDAKNGLRSA-N 1 0 311.179 2.300 10 0 DEAERO CN(Cc1cc(Br)cs1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092205169 193172733 /nfs/dbraw/zinc/17/27/33/193172733.db2.gz VQYXDLLRSXNTAO-WPRPVWTQSA-N 1 0 315.236 2.372 10 0 DEAERO COc1c(CN2CC[NH+](CCC(C)(C)C)CC2)c(C)nn1C ZINC000092219418 193175900 /nfs/dbraw/zinc/17/59/00/193175900.db2.gz SGFWMMSVYBWXKL-UHFFFAOYSA-N 1 0 308.470 2.291 10 0 DEAERO c1cc(-c2noc(CN3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cs1 ZINC000631886691 368443215 /nfs/dbraw/zinc/44/32/15/368443215.db2.gz LGRLRTWGACNOGZ-WCQYABFASA-N 1 0 304.419 2.372 10 0 DEAERO Brc1cncc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890148 368445037 /nfs/dbraw/zinc/44/50/37/368445037.db2.gz PAVYSCGIXOVPTH-JSGCOSHPSA-N 1 0 310.239 2.418 10 0 DEAERO COC[C@H](O)C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451573226 243141314 /nfs/dbraw/zinc/14/13/14/243141314.db2.gz UFUGFHILBFHKPD-GXTWGEPZSA-N 1 0 314.223 2.246 10 0 DEAERO O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631995456 368485036 /nfs/dbraw/zinc/48/50/36/368485036.db2.gz GPVVUKBXXYIZRB-SMDDNHRTSA-N 1 0 314.838 2.103 10 0 DEAERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1cn(C)nc1C)c1ccco1 ZINC000451676579 243295066 /nfs/dbraw/zinc/29/50/66/243295066.db2.gz SSNMNEGJQCDPSS-DOMZBBRYSA-N 1 0 318.421 2.110 10 0 DEAERO O=C1CC2(CN1C[C@@H]1Cc3ccccc3S1)CC[NH2+]CC2 ZINC000092270358 193183805 /nfs/dbraw/zinc/18/38/05/193183805.db2.gz STNGOIMZMWBPGG-AWEZNQCLSA-N 1 0 302.443 2.306 10 0 DEAERO CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1ccc(Cl)cc1N ZINC000092964563 193189663 /nfs/dbraw/zinc/18/96/63/193189663.db2.gz ASWPJEYZTBEACF-JTQLQIEISA-N 1 0 313.829 2.342 10 0 DEAERO CC(C)(C)n1cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cn1 ZINC000093012334 193193017 /nfs/dbraw/zinc/19/30/17/193193017.db2.gz RYWPYJRVGVQIAO-QGZVFWFLSA-N 1 0 320.481 2.325 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccccc2OC2CCCC2)O1 ZINC000261905777 203148742 /nfs/dbraw/zinc/14/87/42/203148742.db2.gz XAILFTBHYPBVSA-CJNGLKHVSA-N 1 0 304.390 2.453 10 0 DEAERO CN[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1C)c1cnn(C)c1 ZINC000262065662 203189315 /nfs/dbraw/zinc/18/93/15/203189315.db2.gz IYFPEAFGCZAOJF-CZUORRHYSA-N 1 0 300.406 2.175 10 0 DEAERO CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)[C@H]([NH3+])CCSC ZINC000262125844 203206003 /nfs/dbraw/zinc/20/60/03/203206003.db2.gz LJQWSGZKHLTNTA-HONMWMINSA-N 1 0 314.426 2.098 10 0 DEAERO CCc1ccc([C@@H](C)NC(=O)[C@H](NC)c2cnn(C)c2)cc1 ZINC000262193877 203224888 /nfs/dbraw/zinc/22/48/88/203224888.db2.gz MJBLSIBYSNCVBA-MLGOLLRUSA-N 1 0 300.406 2.120 10 0 DEAERO CCc1ccc([C@@H](C)NC(=O)[C@@H](NC)c2cnn(C)c2)cc1 ZINC000262193878 203225244 /nfs/dbraw/zinc/22/52/44/203225244.db2.gz MJBLSIBYSNCVBA-WBMJQRKESA-N 1 0 300.406 2.120 10 0 DEAERO COCC[NH2+]C[C@@H](CCCS(C)(=O)=O)c1ccc(C)cc1 ZINC000093137882 193207579 /nfs/dbraw/zinc/20/75/79/193207579.db2.gz NJKCMOSUIHXGGL-MRXNPFEDSA-N 1 0 313.463 2.139 10 0 DEAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000262175242 203218982 /nfs/dbraw/zinc/21/89/82/203218982.db2.gz KNNAJOHOOOXXLK-XYPHTWIQSA-N 1 0 302.418 2.320 10 0 DEAERO O=S1(=O)CC[C@H](C2(C[C@H]3Cc4ccccc4S3)C[NH2+]C2)C1 ZINC000093195359 193214429 /nfs/dbraw/zinc/21/44/29/193214429.db2.gz DQVQNDURXQGYHH-UONOGXRCSA-N 1 0 323.483 2.118 10 0 DEAERO O=S1(=O)CC[C@H](C2(Cc3ccc(F)cc3Cl)C[NH2+]C2)C1 ZINC000093195447 193214515 /nfs/dbraw/zinc/21/45/15/193214515.db2.gz LKYLFLVXEOWOTJ-NSHDSACASA-N 1 0 317.813 2.046 10 0 DEAERO O=C(Nc1ccc(OCC2CCCCC2)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262526591 203320505 /nfs/dbraw/zinc/32/05/05/203320505.db2.gz OTWZMXAUQMVZPF-RDJZCZTQSA-N 1 0 318.417 2.307 10 0 DEAERO Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)sc2C)s1 ZINC000262549668 203326267 /nfs/dbraw/zinc/32/62/67/203326267.db2.gz ONFVMUCZALKRQG-UWVGGRQHSA-N 1 0 323.443 2.150 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCS2(=O)=O)CC(C)(C)C1 ZINC000678932079 541785417 /nfs/dbraw/zinc/78/54/17/541785417.db2.gz QRFMEQHETQAPCK-ZIAGYGMSSA-N 1 0 302.484 2.216 10 0 DEAERO COC(C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC000093214474 193217233 /nfs/dbraw/zinc/21/72/33/193217233.db2.gz RPYAJAYPYHKALC-RYUDHWBXSA-N 1 0 302.415 2.031 10 0 DEAERO CS(=O)(=O)Nc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000093214101 193217276 /nfs/dbraw/zinc/21/72/76/193217276.db2.gz JQOPDLJZLKXYAQ-NXEZZACHSA-N 1 0 317.842 2.393 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1cc(C[NH2+]C)oc1C ZINC000093265847 193223062 /nfs/dbraw/zinc/22/30/62/193223062.db2.gz FWIVABKQILERCW-LLVKDONJSA-N 1 0 302.440 2.364 10 0 DEAERO CC(C)CN1C(=[NH2+])NC[C@@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000093375924 193240446 /nfs/dbraw/zinc/24/04/46/193240446.db2.gz IBQQVVWGGKMYFJ-GFCCVEGCSA-N 1 0 309.797 2.439 10 0 DEAERO C[NH2+][C@H](Cc1cc(Br)ccc1OC)C(OC)OC ZINC000093304942 193227209 /nfs/dbraw/zinc/22/72/09/193227209.db2.gz GRSXGMYVKBQREQ-LLVKDONJSA-N 1 0 318.211 2.207 10 0 DEAERO COCCOc1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000093437340 193251370 /nfs/dbraw/zinc/25/13/70/193251370.db2.gz VOWWVHVTFPRQPP-NVXWUHKLSA-N 1 0 304.434 2.380 10 0 DEAERO [NH3+]Cc1c(F)cccc1Sc1nnnn1-c1ccccc1 ZINC000093395753 193243944 /nfs/dbraw/zinc/24/39/44/193243944.db2.gz ALJHIMIOMBBWSI-UHFFFAOYSA-N 1 0 301.350 2.411 10 0 DEAERO CC(C)(CNC1=[NH+][C@H](c2ccccc2)CS1)S(C)(=O)=O ZINC000093524713 193263641 /nfs/dbraw/zinc/26/36/41/193263641.db2.gz HYUAHWVOYPSCJN-LBPRGKRZSA-N 1 0 312.460 2.243 10 0 DEAERO CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596069 193271520 /nfs/dbraw/zinc/27/15/20/193271520.db2.gz ATNXNSYUBZAUKN-DGCLKSJQSA-N 1 0 310.360 2.494 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1cccc(OC)c1 ZINC000093628991 193276136 /nfs/dbraw/zinc/27/61/36/193276136.db2.gz VGGAEOLHCFHOAI-LRDDRELGSA-N 1 0 308.447 2.421 10 0 DEAERO NC(=O)[C@@]1([NH3+])CCC[C@@H]1CCSc1ccc(F)cc1F ZINC000093627350 193276183 /nfs/dbraw/zinc/27/61/83/193276183.db2.gz YFXKLOUXVGYQGL-YMTOWFKASA-N 1 0 300.374 2.430 10 0 DEAERO C[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccc2c(c1)OCO2 ZINC000093686118 193289208 /nfs/dbraw/zinc/28/92/08/193289208.db2.gz GQAKTEMZCADYHP-SECBINFHSA-N 1 0 304.371 2.427 10 0 DEAERO CCc1nn(CC)c(C[C@H]([NH2+]C)[C@@H](C)OC)c1Br ZINC000093690324 193289684 /nfs/dbraw/zinc/28/96/84/193289684.db2.gz DMBDYCIQOLYNIL-KOLCDFICSA-N 1 0 318.259 2.393 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000093696618 193291825 /nfs/dbraw/zinc/29/18/25/193291825.db2.gz XYYOYEPISARAOK-OLZOCXBDSA-N 1 0 314.426 2.148 10 0 DEAERO CCC1CCC([NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093696526 193291829 /nfs/dbraw/zinc/29/18/29/193291829.db2.gz LWEMUJDZLLTWHV-SHARSMKWSA-N 1 0 302.484 2.216 10 0 DEAERO CCC[NH2+][C@H](C)[C@H](CC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698016 193292789 /nfs/dbraw/zinc/29/27/89/193292789.db2.gz BACOQVLMWMTAAT-QLFBSQMISA-N 1 0 304.500 2.462 10 0 DEAERO C[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1C ZINC000093699973 193294022 /nfs/dbraw/zinc/29/40/22/193294022.db2.gz XSGFPHRXAUAKBC-GDBMZVCRSA-N 1 0 310.463 2.317 10 0 DEAERO C[NH2+][C@@H](CSC(C)(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700469 193294217 /nfs/dbraw/zinc/29/42/17/193294217.db2.gz SASUPPZUSASZPU-QWHCGFSZSA-N 1 0 322.540 2.168 10 0 DEAERO Cc1ccccc1[C@@H](C[NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701648 193294729 /nfs/dbraw/zinc/29/47/29/193294729.db2.gz NTAPRDQTZCGRES-LSDHHAIUSA-N 1 0 310.463 2.099 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@@H](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093702221 193294973 /nfs/dbraw/zinc/29/49/73/193294973.db2.gz IJBPOTYKBYOMJK-SOUVJXGZSA-N 1 0 302.484 2.216 10 0 DEAERO CC[NH2+][C@@H](C)CC(C)(C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702357 193295724 /nfs/dbraw/zinc/29/57/24/193295724.db2.gz GBFVIXYEYSZUKY-UONOGXRCSA-N 1 0 304.500 2.462 10 0 DEAERO C[C@@]1(c2nc3cc(F)c(Br)cc3[nH]2)COC[C@H]1[NH3+] ZINC000093728892 193297868 /nfs/dbraw/zinc/29/78/68/193297868.db2.gz GXPBDZPXMYQXRM-ZYHUDNBSSA-N 1 0 314.158 2.080 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2nc3ccccc3o2)C1 ZINC000093777943 193304377 /nfs/dbraw/zinc/30/43/77/193304377.db2.gz MAYSBZNLYIKTBH-BMIGLBTASA-N 1 0 305.403 2.306 10 0 DEAERO [NH3+][C@]1(CO)CCC[C@H](Oc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000093785831 193307506 /nfs/dbraw/zinc/30/75/06/193307506.db2.gz QUOGVPIXSNDKBE-DAZKTRTLSA-N 1 0 311.250 2.393 10 0 DEAERO Clc1cnc(Cl)nc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000093800357 193309529 /nfs/dbraw/zinc/30/95/29/193309529.db2.gz NFCMSHBUAKFOGV-RKDXNWHRSA-N 1 0 303.193 2.059 10 0 DEAERO Cc1cc(C)cc(S(=O)(=O)NC2C(C)(C)C([NH3+])C2(C)C)c1 ZINC000094006537 193338633 /nfs/dbraw/zinc/33/86/33/193338633.db2.gz RZTCLRCOQVZDGV-UHFFFAOYSA-N 1 0 310.463 2.344 10 0 DEAERO CC[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2cc(F)ccc2F)C1 ZINC000093851294 193318185 /nfs/dbraw/zinc/31/81/85/193318185.db2.gz SDTMABATPDVCQK-HZMBPMFUSA-N 1 0 300.374 2.443 10 0 DEAERO CCOC(=O)[C@@]1([NH3+])CC[C@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093854146 193319412 /nfs/dbraw/zinc/31/94/12/193319412.db2.gz YVFFBVLGADLEAU-SWLSCSKDSA-N 1 0 309.435 2.307 10 0 DEAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CN(C)CCN1C ZINC000093894637 193325651 /nfs/dbraw/zinc/32/56/51/193325651.db2.gz ZSMHPYVTHVDKNE-KGLIPLIRSA-N 1 0 302.249 2.500 10 0 DEAERO CC1(C)CCCC[C@H]1NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000094330532 193359079 /nfs/dbraw/zinc/35/90/79/193359079.db2.gz RMAZCRGTNDQIMC-GFCCVEGCSA-N 1 0 316.492 2.496 10 0 DEAERO CN(c1nc(C(F)(F)F)ccc1C(N)=[NH2+])[C@@H]1CCSC1 ZINC000094336659 193360970 /nfs/dbraw/zinc/36/09/70/193360970.db2.gz JCBIUGROGVSFRR-SSDOTTSWSA-N 1 0 304.341 2.326 10 0 DEAERO C[C@@H]1CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)CC[C@@H]1[NH3+] ZINC000094340275 193362021 /nfs/dbraw/zinc/36/20/21/193362021.db2.gz MEDHEPMPWSXQCD-RITPCOANSA-N 1 0 308.250 2.191 10 0 DEAERO C[C@H](Oc1c(F)cc(CC[NH3+])cc1F)C(=O)NC(C)(C)C ZINC000094349873 193363478 /nfs/dbraw/zinc/36/34/78/193363478.db2.gz AMCDTKMYXGMQJX-VIFPVBQESA-N 1 0 300.349 2.148 10 0 DEAERO CC[C@@H](C)NC(=O)[C@H](C)Oc1c(F)cc(CC[NH3+])cc1F ZINC000094349654 193363806 /nfs/dbraw/zinc/36/38/06/193363806.db2.gz KFVWCIUDNGJMRH-ZJUUUORDSA-N 1 0 300.349 2.148 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(F)c(OCCCS(C)(=O)=O)c(F)c1 ZINC000094350631 193364463 /nfs/dbraw/zinc/36/44/63/193364463.db2.gz WMIUKLPMCGXFSK-LLVKDONJSA-N 1 0 321.389 2.058 10 0 DEAERO CCNC(=O)[C@H](C)Oc1c(F)cc(C[C@@H]([NH3+])CC)cc1F ZINC000094350626 193364638 /nfs/dbraw/zinc/36/46/38/193364638.db2.gz MSZASDPMUJTUES-ONGXEEELSA-N 1 0 300.349 2.148 10 0 DEAERO CCNC(=O)[C@@H](C)Oc1c(F)cc(C[C@@H]([NH3+])CC)cc1F ZINC000094350628 193364705 /nfs/dbraw/zinc/36/47/05/193364705.db2.gz MSZASDPMUJTUES-KOLCDFICSA-N 1 0 300.349 2.148 10 0 DEAERO CCC[C@@H](C[NH3+])N1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094051909 193341339 /nfs/dbraw/zinc/34/13/39/193341339.db2.gz RCGVIFZCIFQBBH-LBPRGKRZSA-N 1 0 300.809 2.124 10 0 DEAERO CCOC(=O)c1c(NC(=O)[C@](C)([NH3+])CC)sc2c1CCC2 ZINC000094236934 193353498 /nfs/dbraw/zinc/35/34/98/193353498.db2.gz UIVRDZNQMCGTIN-OAHLLOKOSA-N 1 0 310.419 2.479 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)c(O[C@@H](C)[C@@H](C)O)c(OC)c1 ZINC000094653298 193390792 /nfs/dbraw/zinc/39/07/92/193390792.db2.gz AXZFTRKWMSQCKC-MNOVXSKESA-N 1 0 317.813 2.233 10 0 DEAERO [NH3+][C@@]1(C(=O)Nc2ccc(Cl)c(Br)c2)CCOC1 ZINC000094670508 193391175 /nfs/dbraw/zinc/39/11/75/193391175.db2.gz QNCAFTFGDXIUCK-NSHDSACASA-N 1 0 319.586 2.159 10 0 DEAERO CCS(=O)(=O)c1ccccc1NC(=O)[C@@H](C[NH3+])CC(C)C ZINC000094697380 193391210 /nfs/dbraw/zinc/39/12/10/193391210.db2.gz RYFUUKPQEJLGIB-GFCCVEGCSA-N 1 0 312.435 2.040 10 0 DEAERO NC(=S)C1CC[NH+]([C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094376126 193367271 /nfs/dbraw/zinc/36/72/71/193367271.db2.gz YCVIXMGOHUBAHY-CYBMUJFWSA-N 1 0 314.520 2.429 10 0 DEAERO CC[C@]1(C)CN(CCCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094421565 193369046 /nfs/dbraw/zinc/36/90/46/193369046.db2.gz XJPVEMTUPSBTRA-MRXNPFEDSA-N 1 0 310.463 2.200 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(N)cc1Br ZINC000094457833 193371952 /nfs/dbraw/zinc/37/19/52/193371952.db2.gz LCDVKLMKMZWXMO-GXSJLCMTSA-N 1 0 311.227 2.099 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCCS[C@@H]2C)CC1 ZINC000094477681 193372787 /nfs/dbraw/zinc/37/27/87/193372787.db2.gz ILUGPMZFJNBJTL-OCCSQVGLSA-N 1 0 320.524 2.064 10 0 DEAERO CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@H]1CSCCO1 ZINC000094504040 193374229 /nfs/dbraw/zinc/37/42/29/193374229.db2.gz AGILOOHFNUAAKE-ZYHUDNBSSA-N 1 0 303.859 2.035 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)[C@@H]1CSCCS1 ZINC000094498743 193374417 /nfs/dbraw/zinc/37/44/17/193374417.db2.gz XSHOAPJAAGUVAK-RYUDHWBXSA-N 1 0 311.538 2.028 10 0 DEAERO CC[NH2+][C@H](Cc1ncc(C)c(OC)c1C)[C@H]1CSCCO1 ZINC000094503460 193374671 /nfs/dbraw/zinc/37/46/71/193374671.db2.gz ZDDDAWZLVGYGBO-HUUCEWRRSA-N 1 0 310.463 2.360 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])[C@H]2CSCCS2)c1Cl ZINC000094497193 193374676 /nfs/dbraw/zinc/37/46/76/193374676.db2.gz LNJKAFURMWUTCT-GZMMTYOYSA-N 1 0 305.900 2.354 10 0 DEAERO CCC[NH2+][C@H](Cc1ncnn1CC)[C@H]1CSCCS1 ZINC000094498762 193374701 /nfs/dbraw/zinc/37/47/01/193374701.db2.gz UTIUPDYRCBRUSA-VXGBXAGGSA-N 1 0 300.497 2.057 10 0 DEAERO CC[NH2+][C@@H](Cc1ncnn1C(C)C)[C@@H]1CSCCS1 ZINC000094497987 193374922 /nfs/dbraw/zinc/37/49/22/193374922.db2.gz ORKAFVXGKRSVOF-RYUDHWBXSA-N 1 0 300.497 2.228 10 0 DEAERO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)sc1Br ZINC000094537347 193378035 /nfs/dbraw/zinc/37/80/35/193378035.db2.gz OMDPJXUQPMDPHX-RKDXNWHRSA-N 1 0 315.236 2.110 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)O1 ZINC000094564341 193380649 /nfs/dbraw/zinc/38/06/49/193380649.db2.gz QUBXFBLAKBXESO-GHMZBOCLSA-N 1 0 304.268 2.030 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)O1 ZINC000094565824 193380701 /nfs/dbraw/zinc/38/07/01/193380701.db2.gz WIJFSTSMXNHLDT-ONGXEEELSA-N 1 0 302.346 2.446 10 0 DEAERO CCNc1ccc(C(F)(F)F)cc1C(=O)NCC[NH+](C)C ZINC000094595421 193381687 /nfs/dbraw/zinc/38/16/87/193381687.db2.gz NJXJBBSHDLKXPH-UHFFFAOYSA-N 1 0 303.328 2.429 10 0 DEAERO Brc1cccc(-c2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC000094577243 193381857 /nfs/dbraw/zinc/38/18/57/193381857.db2.gz HJRIRUSAXQIMHN-UHFFFAOYSA-N 1 0 319.206 2.316 10 0 DEAERO CC1(C(=O)Nc2cc(Br)ccc2O)CC[NH2+]CC1 ZINC000094573600 193381934 /nfs/dbraw/zinc/38/19/34/193381934.db2.gz XVEJZFRDLMLFHF-UHFFFAOYSA-N 1 0 313.195 2.483 10 0 DEAERO Brc1cccn2nc(NCC[NH+]3CCCCC3)nc12 ZINC000094604701 193383756 /nfs/dbraw/zinc/38/37/56/193383756.db2.gz RJJYRRMDCFYERI-UHFFFAOYSA-N 1 0 324.226 2.390 10 0 DEAERO CCC(CC)(C[NH3+])Nc1nc2ccc(Br)cn2n1 ZINC000094608307 193384428 /nfs/dbraw/zinc/38/44/28/193384428.db2.gz GIQOCAMGFVVEJN-UHFFFAOYSA-N 1 0 312.215 2.421 10 0 DEAERO CCN(c1nc2c(Br)cccn2n1)[C@H]1CCC[NH2+]C1 ZINC000094608223 193384657 /nfs/dbraw/zinc/38/46/57/193384657.db2.gz PTOVAZZDRGJLLM-JTQLQIEISA-N 1 0 324.226 2.070 10 0 DEAERO Clc1ccc2nc(N3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nn2c1 ZINC000094607478 193384760 /nfs/dbraw/zinc/38/47/60/193384760.db2.gz AXNADTMFKRLCNE-YPMHNXCESA-N 1 0 305.813 2.351 10 0 DEAERO CC[NH2+][C@](CSc1ccncc1)(C(N)=O)c1ccccc1 ZINC000094615205 193384780 /nfs/dbraw/zinc/38/47/80/193384780.db2.gz OTVGQRYLAPAPJE-INIZCTEOSA-N 1 0 301.415 2.164 10 0 DEAERO Clc1ccc2nc(N3CCCC[C@H]3[C@@H]3CCC[NH2+]3)nn2c1 ZINC000094607973 193384875 /nfs/dbraw/zinc/38/48/75/193384875.db2.gz HMITZNDFXNAIHZ-STQMWFEESA-N 1 0 305.813 2.494 10 0 DEAERO CCC[NH2+][C@H](C)c1cc(F)ccc1OCCS(C)(=O)=O ZINC000094620276 193385078 /nfs/dbraw/zinc/38/50/78/193385078.db2.gz ROOCWVQCSZFMMN-LLVKDONJSA-N 1 0 303.399 2.310 10 0 DEAERO [NH3+][C@H](C[S@@](=O)c1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000094625460 193385374 /nfs/dbraw/zinc/38/53/74/193385374.db2.gz UDABKWFYAVNIHB-ASSNKEHSSA-N 1 0 307.346 2.362 10 0 DEAERO O=C(C[C@H]1CCCCO1)N(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000095031640 193414118 /nfs/dbraw/zinc/41/41/18/193414118.db2.gz CUESSJKNSGBUKV-GFCCVEGCSA-N 1 0 308.344 2.089 10 0 DEAERO C[NH2+]C1CC(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)C1 ZINC000094724985 193394004 /nfs/dbraw/zinc/39/40/04/193394004.db2.gz KIKFWWBEZOWHIN-UHFFFAOYSA-N 1 0 307.337 2.488 10 0 DEAERO CC[C@@H](C[NH3+])NC(=O)c1c(F)cc(Br)cc1F ZINC000094717070 193394158 /nfs/dbraw/zinc/39/41/58/193394158.db2.gz USIWYECBQNJSFQ-ZETCQYMHSA-N 1 0 307.138 2.194 10 0 DEAERO CC[C@H](C[NH3+])NC(=O)c1c(F)cc(Br)cc1F ZINC000094717071 193394241 /nfs/dbraw/zinc/39/42/41/193394241.db2.gz USIWYECBQNJSFQ-SSDOTTSWSA-N 1 0 307.138 2.194 10 0 DEAERO O=C(C1CCC1)N1CCN(CC[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453150012 244971373 /nfs/dbraw/zinc/97/13/73/244971373.db2.gz SVTGFRJUXSPIOI-GOSISDBHSA-N 1 0 319.493 2.099 10 0 DEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000282480408 217026699 /nfs/dbraw/zinc/02/66/99/217026699.db2.gz VHRXSVSMGZTDGJ-PRHODGIISA-N 1 0 315.186 2.345 10 0 DEAERO CCc1nn(CC)c(C[C@H]([NH3+])c2ccnnc2)c1Br ZINC000097281146 193703470 /nfs/dbraw/zinc/70/34/70/193703470.db2.gz WBCOQXLSDGBGLH-JTQLQIEISA-N 1 0 324.226 2.260 10 0 DEAERO CC[C@@H]1CN(c2ncnc3ccc(C)cc32)CC[N@@H+]1C[C@H](C)O ZINC000266369191 205297304 /nfs/dbraw/zinc/29/73/04/205297304.db2.gz LJRBNSKVMYYSOJ-LSDHHAIUSA-N 1 0 314.433 2.220 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)cc1F)C[C@@H]1CCS(=O)(=O)C1 ZINC000097462831 193722683 /nfs/dbraw/zinc/72/26/83/193722683.db2.gz YVGMWQYGQRHPHD-GWCFXTLKSA-N 1 0 319.829 2.434 10 0 DEAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cnc(Cl)c(Cl)c1 ZINC000019803126 182151959 /nfs/dbraw/zinc/15/19/59/182151959.db2.gz UXCLMSSASPCIGQ-LLVKDONJSA-N 1 0 300.189 2.212 10 0 DEAERO Cc1ncc(CN2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)s1 ZINC000019837275 182154897 /nfs/dbraw/zinc/15/48/97/182154897.db2.gz NZKFWSGWIAPHCC-OAHLLOKOSA-N 1 0 309.479 2.120 10 0 DEAERO CCCC(=O)Nc1cccc(CNC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000153751249 291576362 /nfs/dbraw/zinc/57/63/62/291576362.db2.gz QGCPTQZPCRGDIR-CQSZACIVSA-N 1 0 303.406 2.041 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C[C@@H](C)O1 ZINC000020081633 182185045 /nfs/dbraw/zinc/18/50/45/182185045.db2.gz ZUOUGDPMBANCCL-GYSYKLTISA-N 1 0 300.349 2.397 10 0 DEAERO COc1cccc(NS(=O)(=O)c2ccc(F)c(C[NH3+])c2)c1 ZINC000020189282 182195355 /nfs/dbraw/zinc/19/53/55/182195355.db2.gz ZIDSTZMYRFEIDI-UHFFFAOYSA-N 1 0 310.350 2.094 10 0 DEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)NCc1ccc(F)cc1 ZINC000020189414 182195720 /nfs/dbraw/zinc/19/57/20/182195720.db2.gz NHGQYWNDLMJNRZ-UHFFFAOYSA-N 1 0 308.378 2.071 10 0 DEAERO COCC[NH+]1CCC(NC(=O)NCC2CCCCCC2)CC1 ZINC000454631507 246005207 /nfs/dbraw/zinc/00/52/07/246005207.db2.gz NTJSMUXKHRWRAU-UHFFFAOYSA-N 1 0 311.470 2.367 10 0 DEAERO C[C@@H](CNC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1)[NH+](C)C ZINC000455430151 246580532 /nfs/dbraw/zinc/58/05/32/246580532.db2.gz JLGWKBDMLDMQCA-LZWOXQAQSA-N 1 0 305.422 2.108 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C[C@@H]2CCOC2)C2CC2)CC1 ZINC000157734576 291633354 /nfs/dbraw/zinc/63/33/54/291633354.db2.gz PPAQZBGZKBFMPJ-INIZCTEOSA-N 1 0 323.481 2.319 10 0 DEAERO CC[C@H](CNCc1c(Br)cnn1C)[NH+]1CCCC1 ZINC000486980444 248741853 /nfs/dbraw/zinc/74/18/53/248741853.db2.gz JBTPQTUVGUUMFN-LLVKDONJSA-N 1 0 315.259 2.147 10 0 DEAERO CC[C@@H](Oc1ccccc1C)C(=O)NCCNc1cc[nH+]cc1 ZINC000488532402 248800986 /nfs/dbraw/zinc/80/09/86/248800986.db2.gz NILQGGOLGFQGTP-MRXNPFEDSA-N 1 0 313.401 2.198 10 0 DEAERO CC[NH2+][C@@H](CO)c1cc(OC)c(OC)cc1Br ZINC000038120035 182992781 /nfs/dbraw/zinc/99/27/81/182992781.db2.gz KKNVKVJAFJSDQF-JTQLQIEISA-N 1 0 304.184 2.109 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000040634630 183112169 /nfs/dbraw/zinc/11/21/69/183112169.db2.gz BVOHMDAZIYOGAR-ZWNOBZJWSA-N 1 0 317.216 2.329 10 0 DEAERO CC(C)([NH2+][C@@H]1CCOc2ccc(Br)cc21)C(N)=O ZINC000040674697 183116208 /nfs/dbraw/zinc/11/62/08/183116208.db2.gz JWJCESBGWZVJAS-SNVBAGLBSA-N 1 0 313.195 2.126 10 0 DEAERO Cc1sc2[nH]c(C[NH2+][C@@H](CO)CC(C)C)nc(=O)c2c1C ZINC000040778213 183132405 /nfs/dbraw/zinc/13/24/05/183132405.db2.gz WSPSOIPVZOZVQM-LLVKDONJSA-N 1 0 309.435 2.098 10 0 DEAERO NNc1[nH+]cnc(Nc2ncc(C(F)(F)F)cc2Cl)c1N ZINC000040783919 183133672 /nfs/dbraw/zinc/13/36/72/183133672.db2.gz NEOGCNLUZBZKMF-UHFFFAOYSA-N 1 0 319.678 2.155 10 0 DEAERO CN(C(=O)COc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746731 183128591 /nfs/dbraw/zinc/12/85/91/183128591.db2.gz IYCOEZHOVTYPKC-PBWFPOADSA-N 1 0 308.809 2.460 10 0 DEAERO CCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)Cc1ccccc1 ZINC000040747998 183128718 /nfs/dbraw/zinc/12/87/18/183128718.db2.gz IMZIYEZDQHQKFY-XYPWUTKMSA-N 1 0 308.447 2.121 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000040746785 183128819 /nfs/dbraw/zinc/12/88/19/183128819.db2.gz CNXKDKINJWBMMX-FUNVUKJBSA-N 1 0 312.410 2.038 10 0 DEAERO CCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cccc(C)c1 ZINC000040747994 183129074 /nfs/dbraw/zinc/12/90/74/183129074.db2.gz CUMBFDOOALNMOM-YIONKMFJSA-N 1 0 308.447 2.289 10 0 DEAERO CCCN(CC[NH3+])S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000041160668 183179124 /nfs/dbraw/zinc/17/91/24/183179124.db2.gz IOCLIRVHFQDCRR-UHFFFAOYSA-N 1 0 310.341 2.065 10 0 DEAERO COC(=O)Cc1cc(NCCC[NH+](C)C)c2ccccc2n1 ZINC000041473399 183193122 /nfs/dbraw/zinc/19/31/22/183193122.db2.gz CPGWJBCZURKFBF-UHFFFAOYSA-N 1 0 301.390 2.314 10 0 DEAERO OC[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(Br)cs1 ZINC000041678622 183215864 /nfs/dbraw/zinc/21/58/64/183215864.db2.gz PBOSYOJBHUIVMQ-UWVGGRQHSA-N 1 0 306.225 2.313 10 0 DEAERO CC(C)[N@H+](C)CCCCNS(=O)(=O)c1ccccc1F ZINC000041678837 183215939 /nfs/dbraw/zinc/21/59/39/183215939.db2.gz DUFUPCWWLGHDGK-UHFFFAOYSA-N 1 0 302.415 2.224 10 0 DEAERO COC[C@@H](C)N(C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042318790 183254078 /nfs/dbraw/zinc/25/40/78/183254078.db2.gz APLXOOUCFFFUOZ-BDAKNGLRSA-N 1 0 307.257 2.477 10 0 DEAERO CC[NH2+]C1(c2nc(C(C)(C)C)cs2)CCS(=O)(=O)CC1 ZINC000042333236 183255086 /nfs/dbraw/zinc/25/50/86/183255086.db2.gz IDXHGUSWWSXCOV-UHFFFAOYSA-N 1 0 316.492 2.454 10 0 DEAERO NC(=O)N1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000042418860 183266842 /nfs/dbraw/zinc/26/68/42/183266842.db2.gz CNTZIBULELDNJU-UHFFFAOYSA-N 1 0 312.211 2.082 10 0 DEAERO CCN(CCC[NH2+][C@@H](c1cccs1)C1CC1)S(C)(=O)=O ZINC000042331518 183255218 /nfs/dbraw/zinc/25/52/18/183255218.db2.gz LNZYKMUMBNAHRJ-CQSZACIVSA-N 1 0 316.492 2.460 10 0 DEAERO O=S1CCC([NH2+][C@H]2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000042353505 183257460 /nfs/dbraw/zinc/25/74/60/183257460.db2.gz LSFFZXCBLGOJHR-UFDQSUSGSA-N 1 0 313.385 2.377 10 0 DEAERO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1N)CC(C)C ZINC000042367132 183259796 /nfs/dbraw/zinc/25/97/96/183259796.db2.gz RGFBTEPXAZSESU-UHFFFAOYSA-N 1 0 313.829 2.465 10 0 DEAERO CCCN(CC(=O)Nc1cccc(C[NH3+])c1)CC(F)(F)F ZINC000042741026 183303981 /nfs/dbraw/zinc/30/39/81/183303981.db2.gz SCSOKDVUABCHGJ-UHFFFAOYSA-N 1 0 303.328 2.358 10 0 DEAERO COc1ccc([C@H](C[NH3+])N(C)Cc2cscn2)c(OC)c1 ZINC000042863877 183315295 /nfs/dbraw/zinc/31/52/95/183315295.db2.gz IBIUFEKUQLVUCX-AWEZNQCLSA-N 1 0 307.419 2.292 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccccc1)N1CCN(c2nccs2)CC1 ZINC000042900906 183317881 /nfs/dbraw/zinc/31/78/81/183317881.db2.gz LZNFHDFWFLMWEV-DZGCQCFKSA-N 1 0 302.447 2.354 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(C)cc1 ZINC000042944053 183320185 /nfs/dbraw/zinc/32/01/85/183320185.db2.gz LBDWHTMEFZUGLX-FZMZJTMJSA-N 1 0 304.419 2.231 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCC(CC(N)=O)CC1 ZINC000042946573 183320297 /nfs/dbraw/zinc/32/02/97/183320297.db2.gz URBLHMGKJPQKRM-BDJLRTHQSA-N 1 0 309.841 2.316 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Br)cc1)N1CCC(CO)CC1 ZINC000042952718 183321826 /nfs/dbraw/zinc/32/18/26/183321826.db2.gz OPCOWTQIAISRNT-AWEZNQCLSA-N 1 0 313.239 2.153 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1cccc(F)c1 ZINC000042974836 183325240 /nfs/dbraw/zinc/32/52/40/183325240.db2.gz KPNCCVJBURUQSO-MFKMUULPSA-N 1 0 308.382 2.062 10 0 DEAERO CC(=O)N1CCCN([C@H](c2cccc(Cl)c2)[C@@H](C)[NH3+])CC1 ZINC000043016364 183327943 /nfs/dbraw/zinc/32/79/43/183327943.db2.gz MPSZMOKMWKNXMT-WBMJQRKESA-N 1 0 309.841 2.283 10 0 DEAERO CCN(CC(F)(F)F)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042782187 183308374 /nfs/dbraw/zinc/30/83/74/183308374.db2.gz ACOXNKGKHVJGJW-SECBINFHSA-N 1 0 310.341 2.279 10 0 DEAERO Cc1sc2[nH]c(C[NH2+]C[C@@H]3CCCCO3)nc(=O)c2c1C ZINC000042820909 183312835 /nfs/dbraw/zinc/31/28/35/183312835.db2.gz JPRFJUGVFBYPOC-NSHDSACASA-N 1 0 307.419 2.260 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1cccs1)N1CCN(c2nccs2)CC1 ZINC000043102881 183338471 /nfs/dbraw/zinc/33/84/71/183338471.db2.gz MQXYXONKZSXHLG-YPMHNXCESA-N 1 0 308.476 2.415 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1sccc1C)N(C)CC(=O)N1CCCC1 ZINC000043248499 183347358 /nfs/dbraw/zinc/34/73/58/183347358.db2.gz HWPLOMQDTDAMGR-HIFRSBDPSA-N 1 0 309.479 2.389 10 0 DEAERO COCCN(CCOC)[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043252907 183348436 /nfs/dbraw/zinc/34/84/36/183348436.db2.gz ZMBAHFNRUOKGAO-ZWNOBZJWSA-N 1 0 306.859 2.385 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N1CCN(C)CC1 ZINC000043090418 183335674 /nfs/dbraw/zinc/33/56/74/183335674.db2.gz JYNFPTPLJWRGFL-BXUZGUMPSA-N 1 0 312.255 2.085 10 0 DEAERO CCOc1cc(C[NH3+])cc(Br)c1OCCCCO ZINC000043445175 183364210 /nfs/dbraw/zinc/36/42/10/183364210.db2.gz PAEZNSUDNPINAB-UHFFFAOYSA-N 1 0 318.211 2.458 10 0 DEAERO C[C@@H]([NH3+])Cc1ccc(OCC(=O)NCC(F)(F)F)c(Cl)c1 ZINC000043491669 183366652 /nfs/dbraw/zinc/36/66/52/183366652.db2.gz DFKAFIDLFYIJSL-MRVPVSSYSA-N 1 0 324.730 2.287 10 0 DEAERO CCc1ncsc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000274120084 211373918 /nfs/dbraw/zinc/37/39/18/211373918.db2.gz WJPXABCXEFUBSK-KOLCDFICSA-N 1 0 306.391 2.291 10 0 DEAERO O=C(Cc1[nH]nc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000104405280 194004987 /nfs/dbraw/zinc/00/49/87/194004987.db2.gz JYCJQWRGPPBSJT-UHFFFAOYSA-N 1 0 312.417 2.192 10 0 DEAERO CCc1c(C)[nH+]c2ccccc2c1N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284525815 218064363 /nfs/dbraw/zinc/06/43/63/218064363.db2.gz MCJRAMBYFDLRBB-GOSISDBHSA-N 1 0 323.400 2.322 10 0 DEAERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)c1ccoc1 ZINC000284563348 218080521 /nfs/dbraw/zinc/08/05/21/218080521.db2.gz JKBXTMURCRBEFK-XJKSGUPXSA-N 1 0 316.405 2.168 10 0 DEAERO COCc1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000284616331 218101541 /nfs/dbraw/zinc/10/15/41/218101541.db2.gz KROVPTIGUMLYGW-KZNAEPCWSA-N 1 0 305.418 2.195 10 0 DEAERO C[C@@H](CCc1ccccc1)NC(=O)N1CCN(C2CC2)CC1 ZINC000105071351 194069508 /nfs/dbraw/zinc/06/95/08/194069508.db2.gz IZJLIJYWKVLOIH-HNNXBMFYSA-N 1 0 301.434 2.497 10 0 DEAERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)c1ccco1 ZINC000284702091 218139936 /nfs/dbraw/zinc/13/99/36/218139936.db2.gz YYRQQHAKLKUPHV-XJKSGUPXSA-N 1 0 316.405 2.168 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000105146490 194078892 /nfs/dbraw/zinc/07/88/92/194078892.db2.gz RUZJGLVQZKBYRY-ARFHVFGLSA-N 1 0 309.454 2.214 10 0 DEAERO Cc1ccccc1OCCCN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105824585 194137993 /nfs/dbraw/zinc/13/79/93/194137993.db2.gz AJAKBBGYLCOBEQ-IAGOWNOFSA-N 1 0 306.450 2.151 10 0 DEAERO COCC[N@@H+]1CCN(CCCOc2ccc(F)cc2)C[C@H]1C ZINC000105832533 194139913 /nfs/dbraw/zinc/13/99/13/194139913.db2.gz HQSLSMDSQRNGOZ-OAHLLOKOSA-N 1 0 310.413 2.247 10 0 DEAERO C[N@H+](CCOC(C)(C)C)C1CCN(CCn2cccn2)CC1 ZINC000105863582 194150279 /nfs/dbraw/zinc/15/02/79/194150279.db2.gz KQWLWARPHHUNOY-UHFFFAOYSA-N 1 0 308.470 2.094 10 0 DEAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874071 194152995 /nfs/dbraw/zinc/15/29/95/194152995.db2.gz HSMDZXWWQVRMAQ-ZIAGYGMSSA-N 1 0 321.469 2.001 10 0 DEAERO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)C2)c1 ZINC000105899680 194164226 /nfs/dbraw/zinc/16/42/26/194164226.db2.gz SPUYTAJWFFNBDQ-MRXNPFEDSA-N 1 0 306.454 2.474 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CSC)c1 ZINC000048805501 183687964 /nfs/dbraw/zinc/68/79/64/183687964.db2.gz VIKLQSNJEMMFNR-UHFFFAOYSA-N 1 0 323.462 2.060 10 0 DEAERO CCC[NH2+]Cc1cccc(OCC(=O)NCC(F)(F)F)c1 ZINC000049309578 183724982 /nfs/dbraw/zinc/72/49/82/183724982.db2.gz MXFKSECPSLXOAW-UHFFFAOYSA-N 1 0 304.312 2.244 10 0 DEAERO CCNc1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000050779342 183804018 /nfs/dbraw/zinc/80/40/18/183804018.db2.gz OFLJMMNGPFKZNR-JTQLQIEISA-N 1 0 308.813 2.133 10 0 DEAERO Cn1cnnc1CC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000109421147 194263063 /nfs/dbraw/zinc/26/30/63/194263063.db2.gz HGBWIBQGOCCTIG-UHFFFAOYSA-N 1 0 313.174 2.049 10 0 DEAERO CCC[C@H](C(N)=S)[NH+]1CCN(CCc2ccccc2)CC1 ZINC000109470428 194266462 /nfs/dbraw/zinc/26/64/62/194266462.db2.gz NPNRVIZDFRNOFQ-MRXNPFEDSA-N 1 0 305.491 2.302 10 0 DEAERO CC[C@H](C(N)=S)[NH+]1CCN(C(=O)C2CCCCCC2)CC1 ZINC000109462058 194265674 /nfs/dbraw/zinc/26/56/74/194265674.db2.gz XUTLNEIUEVQXTK-CQSZACIVSA-N 1 0 311.495 2.166 10 0 DEAERO Cc1cccc(-c2ccc(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)c1 ZINC000159350115 197347041 /nfs/dbraw/zinc/34/70/41/197347041.db2.gz LLKSJKKEOYAWHZ-ROUUACIJSA-N 1 0 310.397 2.001 10 0 DEAERO Cc1ccc(C)c(CN2CC[NH+](C(C)(C)C(N)=S)CC2)c1 ZINC000109470589 194266791 /nfs/dbraw/zinc/26/67/91/194266791.db2.gz ROZWRJTZJKOZAK-UHFFFAOYSA-N 1 0 305.491 2.486 10 0 DEAERO CC[C@@H](C(N)=S)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000109471414 194266944 /nfs/dbraw/zinc/26/69/44/194266944.db2.gz MCPUOAULOQSCFN-LBPRGKRZSA-N 1 0 320.487 2.483 10 0 DEAERO C[C@@H](c1noc(-c2cc(Cl)ccc2F)n1)N1CC[NH2+]CC1 ZINC000109473779 194268223 /nfs/dbraw/zinc/26/82/23/194268223.db2.gz NFMFBGRKWVHTNT-VIFPVBQESA-N 1 0 310.760 2.495 10 0 DEAERO COCC[C@H]([NH3+])C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000052792344 183873431 /nfs/dbraw/zinc/87/34/31/183873431.db2.gz BUNHGJJBUQQWEH-ZDUSSCGKSA-N 1 0 305.403 2.421 10 0 DEAERO C[NH2+]C[C@H](Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000052950164 183881648 /nfs/dbraw/zinc/88/16/48/183881648.db2.gz CTRPWKHWBHYVRD-MNOVXSKESA-N 1 0 319.829 2.292 10 0 DEAERO CCC[NH2+][C@H](c1ccccc1)[C@H](C)CN1CCS(=O)CC1 ZINC000053941001 183917350 /nfs/dbraw/zinc/91/73/50/183917350.db2.gz ZYZHQLRAIHQRON-WBVHZDCISA-N 1 0 308.491 2.428 10 0 DEAERO O=S(=O)(c1ccc(NCC[C@@H]2CC[NH2+]C2)cc1)C(F)(F)F ZINC000110798819 194359934 /nfs/dbraw/zinc/35/99/34/194359934.db2.gz HQSXFBYUZNYHTR-JTQLQIEISA-N 1 0 322.352 2.392 10 0 DEAERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000110927855 194369836 /nfs/dbraw/zinc/36/98/36/194369836.db2.gz LFXKBFJNFLRRJV-VIFPVBQESA-N 1 0 323.245 2.366 10 0 DEAERO OC1(COc2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000156581731 197124934 /nfs/dbraw/zinc/12/49/34/197124934.db2.gz OEFIATXHXMLTCA-UHFFFAOYSA-N 1 0 304.159 2.082 10 0 DEAERO CCN[C@@](C)(CCC[N@H+](CC)CCOCC)C(=O)OCC ZINC000111122027 194391907 /nfs/dbraw/zinc/39/19/07/194391907.db2.gz GJVSXOPCTFLJKB-INIZCTEOSA-N 1 0 302.459 2.056 10 0 DEAERO Nc1cc(Br)cnc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157446096 197188470 /nfs/dbraw/zinc/18/84/70/197188470.db2.gz YKIZIYXTEWLATB-WDEREUQCSA-N 1 0 311.227 2.465 10 0 DEAERO C[C@@H](CN1CC[NH+](C)CC1)OC(=O)c1cc2ccccc2o1 ZINC000059181614 184135514 /nfs/dbraw/zinc/13/55/14/184135514.db2.gz FCYJHAMXAONLEN-ZDUSSCGKSA-N 1 0 302.374 2.226 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000061290293 184167820 /nfs/dbraw/zinc/16/78/20/184167820.db2.gz CGSYTAMUNJDDPW-WDEREUQCSA-N 1 0 310.360 2.381 10 0 DEAERO CC[NH2+]CCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000061298804 184167828 /nfs/dbraw/zinc/16/78/28/184167828.db2.gz NDTBCTKQMSFYFK-UHFFFAOYSA-N 1 0 310.419 2.352 10 0 DEAERO CCCOc1nc(Cl)nc(NCCC[NH+](CC)CC)n1 ZINC000061536589 184172666 /nfs/dbraw/zinc/17/26/66/184172666.db2.gz GBCLNAPWKILRNI-UHFFFAOYSA-N 1 0 301.822 2.458 10 0 DEAERO CCCOc1nc(Cl)nc(N(CCC)CC[NH+](C)C)n1 ZINC000061541610 184174332 /nfs/dbraw/zinc/17/43/32/184174332.db2.gz BUWASBOIXRCNEX-UHFFFAOYSA-N 1 0 301.822 2.092 10 0 DEAERO Cc1ccc([C@H](Sc2n[nH]c(=O)n2C2CC2)[C@H](C)[NH3+])cc1 ZINC000061594518 184175923 /nfs/dbraw/zinc/17/59/23/184175923.db2.gz SUDAMEPNENZQIS-GXFFZTMASA-N 1 0 304.419 2.395 10 0 DEAERO CCCn1c(S[C@H](C[NH3+])c2ccccc2Cl)n[nH]c1=O ZINC000061594914 184176685 /nfs/dbraw/zinc/17/66/85/184176685.db2.gz LVZGEPPUAGMBPL-LLVKDONJSA-N 1 0 312.826 2.427 10 0 DEAERO COc1ccc(CCC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061605618 184176888 /nfs/dbraw/zinc/17/68/88/184176888.db2.gz MDSOECPTBOKARH-UHFFFAOYSA-N 1 0 302.418 2.325 10 0 DEAERO CCCC(CCC)(C(N)=S)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061646165 184181385 /nfs/dbraw/zinc/18/13/85/184181385.db2.gz IEDWNPNKPLGAOF-ZDUSSCGKSA-N 1 0 313.511 2.412 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2OC(F)F)CCCO1 ZINC000061916122 184195318 /nfs/dbraw/zinc/19/53/18/184195318.db2.gz DLSGCMANMGAJKC-YPMHNXCESA-N 1 0 300.349 2.399 10 0 DEAERO C[C@H]([C@@H]([NH3+])c1ccccc1)N1CCN(CC(F)(F)F)CC1 ZINC000061941123 184197290 /nfs/dbraw/zinc/19/72/90/184197290.db2.gz XZULCUSBCSEWFZ-TZMCWYRMSA-N 1 0 301.356 2.255 10 0 DEAERO CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061941011 184197605 /nfs/dbraw/zinc/19/76/05/184197605.db2.gz XIJJTXGASOMTCZ-BFHYXJOUSA-N 1 0 307.404 2.318 10 0 DEAERO COCCCN(C)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000062029497 184202204 /nfs/dbraw/zinc/20/22/04/184202204.db2.gz WJTXDVLUMZVFEG-SNVBAGLBSA-N 1 0 307.257 2.479 10 0 DEAERO Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NC[C@@H]2CCCO2)c1 ZINC000062065537 184203950 /nfs/dbraw/zinc/20/39/50/184203950.db2.gz TWZKYCJGHRWADI-IRXDYDNUSA-N 1 0 302.418 2.255 10 0 DEAERO COCCC[N@H+]1[C@H](C)CN(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000062090763 184205413 /nfs/dbraw/zinc/20/54/13/184205413.db2.gz IHATVTNBPCRPRS-OKILXGFUSA-N 1 0 308.397 2.397 10 0 DEAERO COCCC[N@H+]1[C@H](C)CN(C(=O)NC2CCCCC2)C[C@@H]1C ZINC000062090828 184205576 /nfs/dbraw/zinc/20/55/76/184205576.db2.gz KZEHGACTMQQSEY-GASCZTMLSA-N 1 0 311.470 2.460 10 0 DEAERO COCCC[NH+]1[C@H](C)CN(C(=O)c2ccccc2OC)C[C@H]1C ZINC000062180891 184213911 /nfs/dbraw/zinc/21/39/11/184213911.db2.gz ZCLWSAZLCVBAST-HUUCEWRRSA-N 1 0 320.433 2.267 10 0 DEAERO CNC(=O)COc1c(Cl)cc(C[NH2+]CC(C)C)cc1OC ZINC000062727824 184250560 /nfs/dbraw/zinc/25/05/60/184250560.db2.gz YQAJRDBZEYGVDT-UHFFFAOYSA-N 1 0 314.813 2.219 10 0 DEAERO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000062961554 184262279 /nfs/dbraw/zinc/26/22/79/184262279.db2.gz HLBOKPQOEAJYSA-PWSUYJOCSA-N 1 0 301.408 2.139 10 0 DEAERO CC(C)(C)[NH2+]Cc1c(N2CCC[C@H](O)C2)nc2sccn12 ZINC000062737122 184251631 /nfs/dbraw/zinc/25/16/31/184251631.db2.gz FTAXPYTWLAHVJY-NSHDSACASA-N 1 0 308.451 2.245 10 0 DEAERO CCO[C@@H](C[NH3+])CN(C)Cc1csc(Br)c1 ZINC000062739742 184251900 /nfs/dbraw/zinc/25/19/00/184251900.db2.gz QSIOKPVLGISQSM-JTQLQIEISA-N 1 0 307.257 2.306 10 0 DEAERO CCO[C@H](C[NH3+])CN(C)Cc1ccccc1Br ZINC000062739661 184252020 /nfs/dbraw/zinc/25/20/20/184252020.db2.gz JCZRHDADRBYOMY-GFCCVEGCSA-N 1 0 301.228 2.245 10 0 DEAERO CC[C@H]([NH3+])[C@@](O)(c1ccc2c(c1)OCCCO2)C(F)(F)F ZINC000062784473 184253210 /nfs/dbraw/zinc/25/32/10/184253210.db2.gz FPOBLFNXAMOTAH-STQMWFEESA-N 1 0 305.296 2.335 10 0 DEAERO CC1(C(=O)Nc2ccc3c(c2)NC(=O)CS3)CC[NH2+]CC1 ZINC000062840232 184255541 /nfs/dbraw/zinc/25/55/41/184255541.db2.gz AUFNKGVKAHCERS-UHFFFAOYSA-N 1 0 305.403 2.059 10 0 DEAERO C[NH2+]Cc1ccc(OCc2noc(C)n2)c(Br)c1 ZINC000062700776 184247583 /nfs/dbraw/zinc/24/75/83/184247583.db2.gz SMGCXMRCHZAEOC-UHFFFAOYSA-N 1 0 312.167 2.439 10 0 DEAERO C[NH2+]Cc1ccc(OCC(=O)OC(C)C)c(Br)c1 ZINC000062700689 184247723 /nfs/dbraw/zinc/24/77/23/184247723.db2.gz BHPQYDIQIYNNBI-UHFFFAOYSA-N 1 0 316.195 2.499 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000063213334 184278266 /nfs/dbraw/zinc/27/82/66/184278266.db2.gz SLFPQXLHEASMNM-RYUDHWBXSA-N 1 0 320.817 2.417 10 0 DEAERO C[C@@H]1[NH2+]CCCN(Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000063215232 184278999 /nfs/dbraw/zinc/27/89/99/184278999.db2.gz UJJREIMRRNJHCU-JTQLQIEISA-N 1 0 302.296 2.296 10 0 DEAERO C[NH+](C)[C@@H]1CCN(CCOc2ccc(Br)cc2)C1 ZINC000062967772 184263553 /nfs/dbraw/zinc/26/35/53/184263553.db2.gz NZJDSIZONYOUJH-CYBMUJFWSA-N 1 0 313.239 2.464 10 0 DEAERO NC(=S)c1ccccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062980137 184264012 /nfs/dbraw/zinc/26/40/12/184264012.db2.gz NZTAMUHAVQWBEV-OAHLLOKOSA-N 1 0 303.475 2.381 10 0 DEAERO COc1cc(C[NH2+]C(C)C)ccc1OCCCS(C)(=O)=O ZINC000063014335 184266325 /nfs/dbraw/zinc/26/63/25/184266325.db2.gz GLZMTTMJJYGBHZ-UHFFFAOYSA-N 1 0 315.435 2.007 10 0 DEAERO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N)c(F)c2)cc1 ZINC000063011546 184266627 /nfs/dbraw/zinc/26/66/27/184266627.db2.gz VAMXXQXXONUCAH-UHFFFAOYSA-N 1 0 308.378 2.101 10 0 DEAERO CC[NH2+][C@@H](c1ccccc1)C(C)(C)CN1CCS(=O)CC1 ZINC000063019130 184267319 /nfs/dbraw/zinc/26/73/19/184267319.db2.gz OWYJNDBOHDKBKA-INIZCTEOSA-N 1 0 308.491 2.428 10 0 DEAERO CCCC(CCC)(C(N)=S)C(=O)N(C)CC[NH+]1CCCC1 ZINC000063053390 184268617 /nfs/dbraw/zinc/26/86/17/184268617.db2.gz NENWPAAVNPASDM-UHFFFAOYSA-N 1 0 313.511 2.413 10 0 DEAERO Brc1cncc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)c1 ZINC000063084515 184269703 /nfs/dbraw/zinc/26/97/03/184269703.db2.gz BDMFHIDOBIUXID-SECBINFHSA-N 1 0 323.194 2.436 10 0 DEAERO Cn1ncc2c1nc(CSCc1ccccc1)[nH+]c2NN ZINC000063084332 184269709 /nfs/dbraw/zinc/26/97/09/184269709.db2.gz WHNLQJNVFJSIME-UHFFFAOYSA-N 1 0 300.391 2.082 10 0 DEAERO C[C@@H](CC[NH3+])N(C)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000063086565 184269886 /nfs/dbraw/zinc/26/98/86/184269886.db2.gz QVHXKUSSUQGSBF-VIFPVBQESA-N 1 0 310.341 2.154 10 0 DEAERO CC1CCC(CNS(=O)(=O)c2ccc(C[NH3+])s2)CC1 ZINC000063147543 184273843 /nfs/dbraw/zinc/27/38/43/184273843.db2.gz ITNIHGVAPQQLPF-UHFFFAOYSA-N 1 0 302.465 2.311 10 0 DEAERO COc1cc(C[NH2+][C@@H](C)CC(N)=O)ccc1OCCC(C)C ZINC000066147804 184392726 /nfs/dbraw/zinc/39/27/26/184392726.db2.gz MBRVZCPHGDRDAZ-ZDUSSCGKSA-N 1 0 308.422 2.474 10 0 DEAERO O=C(CCc1cccc2c1OCO2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000185408801 207365542 /nfs/dbraw/zinc/36/55/42/207365542.db2.gz CCLXOXFBIGUNET-OAHLLOKOSA-N 1 0 316.401 2.045 10 0 DEAERO CNC(=O)c1cccc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000185420712 207365745 /nfs/dbraw/zinc/36/57/45/207365745.db2.gz MYVFTSZPIRWUMK-CQSZACIVSA-N 1 0 317.433 2.041 10 0 DEAERO CCC[NH2+]Cc1ccc(OC[C@H](O)C(F)(F)F)c(OC)c1 ZINC000068876169 184498595 /nfs/dbraw/zinc/49/85/95/184498595.db2.gz XTENOQBIMWNMPW-ZDUSSCGKSA-N 1 0 307.312 2.497 10 0 DEAERO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171707965 296331778 /nfs/dbraw/zinc/33/17/78/296331778.db2.gz GIDZNRFQENDKHL-ZACQAIPSSA-N 1 0 307.482 2.242 10 0 DEAERO CC(C)[NH+](CCNC(=O)N1CC[C@H](c2cnn(C)c2)C1)C(C)C ZINC000116520662 194752869 /nfs/dbraw/zinc/75/28/69/194752869.db2.gz DGVSOMRWPHKUCV-HNNXBMFYSA-N 1 0 321.469 2.038 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000247479478 285020289 /nfs/dbraw/zinc/02/02/89/285020289.db2.gz JDHFWXZXARDCBB-BZUAXINKSA-N 1 0 311.470 2.317 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CCc1cc2ccccc2[nH]c1=O ZINC000538316309 285031374 /nfs/dbraw/zinc/03/13/74/285031374.db2.gz YROVEGPOXZPZIK-UHFFFAOYSA-N 1 0 315.417 2.283 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000538317086 285031994 /nfs/dbraw/zinc/03/19/94/285031994.db2.gz ZGANRXGSRIZKIA-UHFFFAOYSA-N 1 0 322.424 2.284 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cncc(C)c1 ZINC000119646656 195008305 /nfs/dbraw/zinc/00/83/05/195008305.db2.gz WRMZJMVEXHBDMN-JKSUJKDBSA-N 1 0 302.422 2.158 10 0 DEAERO COCOc1ccc(OC)cc1C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000120009890 195080229 /nfs/dbraw/zinc/08/02/29/195080229.db2.gz NZNQCEZKNRSUMP-CJNGLKHVSA-N 1 0 309.406 2.319 10 0 DEAERO c1nc(N2CCCC2)ncc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000538790546 285056142 /nfs/dbraw/zinc/05/61/42/285056142.db2.gz ITIOLBNPVZJFOV-CVEARBPZSA-N 1 0 302.422 2.078 10 0 DEAERO CN(C)[C@H](C(=O)N(C)CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000539417129 285076817 /nfs/dbraw/zinc/07/68/17/285076817.db2.gz AMORSSDUNWIMJJ-HNNXBMFYSA-N 1 0 311.857 2.353 10 0 DEAERO [NH3+][C@@H](C[S@](=O)c1ccc2c(c1)OCCCO2)C1CCCC1 ZINC000159164314 197332490 /nfs/dbraw/zinc/33/24/90/197332490.db2.gz LSNPVZVRJOTSIY-LHSJRXKWSA-N 1 0 309.431 2.473 10 0 DEAERO Cc1cc(S(=O)(=O)NC[C@@H](C)C(C)C)cc(C[NH3+])c1F ZINC000159121789 197329017 /nfs/dbraw/zinc/32/90/17/197329017.db2.gz ZGHGRQHWPBTYAW-LLVKDONJSA-N 1 0 302.415 2.163 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000159095330 197326492 /nfs/dbraw/zinc/32/64/92/197326492.db2.gz JOZCBSAHIBBLNE-JTQLQIEISA-N 1 0 316.785 2.050 10 0 DEAERO CCN(C)S(=O)(=O)c1cc(C)c(F)c(C[NH2+]C2CC2)c1 ZINC000159059704 197323842 /nfs/dbraw/zinc/32/38/42/197323842.db2.gz HGDHONYCZFIMMI-UHFFFAOYSA-N 1 0 300.399 2.027 10 0 DEAERO COc1cc2c(cc1[C@@H](C[NH3+])N1CCSCC1)O[C@H](C)C2 ZINC000159053700 197322677 /nfs/dbraw/zinc/32/26/77/197322677.db2.gz ZNNPURILVWNACL-BXUZGUMPSA-N 1 0 308.447 2.067 10 0 DEAERO NC(=O)[C@@]1([NH2+]Cc2ccccc2)Cc2ccc(Cl)cc2C1 ZINC000158940350 197313358 /nfs/dbraw/zinc/31/33/58/197313358.db2.gz XKWMYWZMMBFHSJ-QGZVFWFLSA-N 1 0 300.789 2.453 10 0 DEAERO CCC[NH2+][C@H](C[S@](=O)c1ccccc1OC)[C@@H]1CCOC1 ZINC000158928175 197312505 /nfs/dbraw/zinc/31/25/05/197312505.db2.gz HECISOXVDGWJHK-ZMOMAAQPSA-N 1 0 311.447 2.208 10 0 DEAERO CC(C)[NH2+]Cc1cn(-c2c(F)c(F)c(F)c(F)c2F)nn1 ZINC000159033584 197320980 /nfs/dbraw/zinc/32/09/80/197320980.db2.gz CQQVKZODVHDLLE-UHFFFAOYSA-N 1 0 306.238 2.461 10 0 DEAERO CCn1nc(C)c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1Cl ZINC000158979996 197316093 /nfs/dbraw/zinc/31/60/93/197316093.db2.gz NHEMSGFNLIVLQZ-CMPLNLGQSA-N 1 0 312.845 2.323 10 0 DEAERO CCC[NH+](CCC)CCCNC(=O)N1CCC([C@@H](C)O)CC1 ZINC000158870394 197306952 /nfs/dbraw/zinc/30/69/52/197306952.db2.gz UNKPQCNGNTWKNO-OAHLLOKOSA-N 1 0 313.486 2.301 10 0 DEAERO CN([C@@H](C[NH3+])c1ccc(Br)c(F)c1)[C@@H]1CCOC1 ZINC000158695654 197294477 /nfs/dbraw/zinc/29/44/77/197294477.db2.gz UNFZXZANVWLZAQ-MFKMUULPSA-N 1 0 317.202 2.309 10 0 DEAERO COc1ccsc1[C@@H](O)c1c(Cl)cnn1CC[NH+](C)C ZINC000158678128 197293914 /nfs/dbraw/zinc/29/39/14/197293914.db2.gz PSTXPDJZCLEUQJ-LBPRGKRZSA-N 1 0 315.826 2.250 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1C[NH3+] ZINC000158736652 197298375 /nfs/dbraw/zinc/29/83/75/197298375.db2.gz FWDWYHDEWVQFNH-KBPBESRZSA-N 1 0 308.447 2.183 10 0 DEAERO C[C@@H]1OCC[C@@H]1N(C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000158628325 197289725 /nfs/dbraw/zinc/28/97/25/197289725.db2.gz KJCNMNAPCAYISQ-GUBZILKMSA-N 1 0 303.200 2.151 10 0 DEAERO Cc1cccc(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158445361 197273437 /nfs/dbraw/zinc/27/34/37/197273437.db2.gz OZPWEQMDPHXRSU-CABCVRRESA-N 1 0 317.433 2.183 10 0 DEAERO CCCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000158494240 197278501 /nfs/dbraw/zinc/27/85/01/197278501.db2.gz TVQKOMBXZMHHDI-UHFFFAOYSA-N 1 0 309.313 2.141 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(C(F)F)c2)CCO1 ZINC000158150766 197248253 /nfs/dbraw/zinc/24/82/53/197248253.db2.gz JSUPSAZFNTXTTF-CYBMUJFWSA-N 1 0 313.348 2.419 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC(=O)Nc3ccccc3)[C@@H]2C1 ZINC000158037044 197238271 /nfs/dbraw/zinc/23/82/71/197238271.db2.gz PNQWLVIAPAPPBO-ZACQAIPSSA-N 1 0 318.417 2.284 10 0 DEAERO Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CCO[C@H]3C(C)C)cc12 ZINC000557833932 291879157 /nfs/dbraw/zinc/87/91/57/291879157.db2.gz VIHYZAYBFRYHBT-HOCLYGCPSA-N 1 0 302.422 2.427 10 0 DEAERO C[NH+](C)[C@@H]1CCN(c2cc(Br)c(F)cc2N)C1 ZINC000157882608 197223138 /nfs/dbraw/zinc/22/31/38/197223138.db2.gz JNHPTDBJAKPUPV-MRVPVSSYSA-N 1 0 302.191 2.311 10 0 DEAERO O=C(CC[NH+]1CCC(n2cncn2)CC1)Nc1cccc(F)c1 ZINC000157766136 197213970 /nfs/dbraw/zinc/21/39/70/197213970.db2.gz SDWOQOODMAJRLU-UHFFFAOYSA-N 1 0 317.368 2.083 10 0 DEAERO CC[C@@](C)([C@@H](O)c1c(Br)cnn1C)[NH+]1CCCC1 ZINC000157632135 197203758 /nfs/dbraw/zinc/20/37/58/197203758.db2.gz SDQYLOMSJZSENV-STQMWFEESA-N 1 0 316.243 2.481 10 0 DEAERO C[C@](F)(C[C@@H]1COCC[NH2+]1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000157634062 197203422 /nfs/dbraw/zinc/20/34/22/197203422.db2.gz AKGPDBADWKYGJU-KFWWJZLASA-N 1 0 301.402 2.069 10 0 DEAERO Cn1cc([C@H](C[NH3+])Oc2cc(F)cc(Br)c2)cn1 ZINC000157211768 197170421 /nfs/dbraw/zinc/17/04/21/197170421.db2.gz WUZFHNGUMJPHPE-LBPRGKRZSA-N 1 0 314.158 2.401 10 0 DEAERO Cn1nncc1[C@@H]([NH3+])c1ccc(Br)cc1Cl ZINC000157064942 197159129 /nfs/dbraw/zinc/15/91/29/197159129.db2.gz FSNKOGFESKKMKM-JTQLQIEISA-N 1 0 301.575 2.279 10 0 DEAERO Cc1cc(OCC2(O)CC[NH2+]CC2)ccc1Br ZINC000157152573 197165574 /nfs/dbraw/zinc/16/55/74/197165574.db2.gz GOMQHSSQIUQPKN-UHFFFAOYSA-N 1 0 300.196 2.251 10 0 DEAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(CC(F)(F)F)C(C)C)C1(C)C ZINC000156952891 197152305 /nfs/dbraw/zinc/15/23/05/197152305.db2.gz VHQOOYWREBVNMS-ZWNOBZJWSA-N 1 0 310.360 2.318 10 0 DEAERO C[C@@](O)(Cc1cccc(Br)c1)C[C@H]1COCC[NH2+]1 ZINC000156888422 197147516 /nfs/dbraw/zinc/14/75/16/197147516.db2.gz OHBMVMQNZXJTAL-UONOGXRCSA-N 1 0 314.223 2.121 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000156546578 197122045 /nfs/dbraw/zinc/12/20/45/197122045.db2.gz GOXZZHPNNQWNIX-XVKPBYJWSA-N 1 0 309.719 2.306 10 0 DEAERO Cc1nccn1C[C@H](C)C[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000156521135 197119895 /nfs/dbraw/zinc/11/98/95/197119895.db2.gz WBOQQHHEQQYYTI-GFCCVEGCSA-N 1 0 312.421 2.277 10 0 DEAERO C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1nnc2n1CCCC2 ZINC000156347567 197105913 /nfs/dbraw/zinc/10/59/13/197105913.db2.gz LOMZIGUVYAUMKE-MQYQWHSLSA-N 1 0 319.453 2.053 10 0 DEAERO C[NH2+]CCCN(C)C(=O)c1sc2cccc(OC)c2c1N ZINC000156189160 197093952 /nfs/dbraw/zinc/09/39/52/197093952.db2.gz OIUSIEUQPOUXLA-UHFFFAOYSA-N 1 0 307.419 2.174 10 0 DEAERO COC(=O)C1(NC(=O)C[N@H+](C)C[C@@H]2CC=CCC2)CCCCC1 ZINC000542255406 285215467 /nfs/dbraw/zinc/21/54/67/285215467.db2.gz YIXXXHDAXQCREK-OAHLLOKOSA-N 1 0 322.449 2.267 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000156019701 197080878 /nfs/dbraw/zinc/08/08/78/197080878.db2.gz OIOYUIDFALWOPL-ZJUUUORDSA-N 1 0 314.223 2.491 10 0 DEAERO CS(=O)(=O)Nc1ccccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155996094 197079239 /nfs/dbraw/zinc/07/92/39/197079239.db2.gz OONQUXNNAWNVOA-QWHCGFSZSA-N 1 0 309.435 2.097 10 0 DEAERO CC(C)NS(=O)(=O)c1ccc(N[C@](C)(C[NH3+])C(C)C)cc1 ZINC000155990697 197078854 /nfs/dbraw/zinc/07/88/54/197078854.db2.gz JLKZVALSNHLFHG-OAHLLOKOSA-N 1 0 313.467 2.159 10 0 DEAERO C[C@H]1CCC[C@]2(CSC(NC[C@@H]3CCCS3(=O)=O)=[NH+]2)C1 ZINC000155416757 197053010 /nfs/dbraw/zinc/05/30/10/197053010.db2.gz DGVPEWQYSCBBCN-SGMGOOAPSA-N 1 0 316.492 2.205 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)c1nnnn1-c1ccccc1 ZINC000245459665 285241958 /nfs/dbraw/zinc/24/19/58/285241958.db2.gz DRFVRFYWZJXWSX-GDBMZVCRSA-N 1 0 314.437 2.139 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245458708 285242147 /nfs/dbraw/zinc/24/21/47/285242147.db2.gz CZXFOYCTTSIBAQ-QBPKDAKJSA-N 1 0 309.498 2.486 10 0 DEAERO CCOc1cc(CN(C)CC(=O)NC(C)(C)C)ccc1OC ZINC000120669542 195211627 /nfs/dbraw/zinc/21/16/27/195211627.db2.gz VXEUXAWBKPWYIR-UHFFFAOYSA-N 1 0 308.422 2.440 10 0 DEAERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)Cc1c(C)nn(C)c1C ZINC000120714557 195221224 /nfs/dbraw/zinc/22/12/24/195221224.db2.gz XGKMUZWGRMCZDX-QWHCGFSZSA-N 1 0 308.470 2.205 10 0 DEAERO CCNc1ncc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC000120829015 195245389 /nfs/dbraw/zinc/24/53/89/195245389.db2.gz QCGCZIYYCRBSTF-GFCCVEGCSA-N 1 0 310.467 2.425 10 0 DEAERO CC[C@H]1CN(Cc2cc(F)c(F)cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000120760857 195232489 /nfs/dbraw/zinc/23/24/89/195232489.db2.gz ILNPOQPVCYDCGB-YPMHNXCESA-N 1 0 316.367 2.381 10 0 DEAERO Cc1ccccc1CC(=O)N1CC2(C1)CC[C@H](C[NH+](C)C)CO2 ZINC000248139211 257108652 /nfs/dbraw/zinc/10/86/52/257108652.db2.gz SRADRAIDUIGAAI-MRXNPFEDSA-N 1 0 316.445 2.107 10 0 DEAERO Cc1nc(CN2C(=O)C[C@H]3[C@H]2CC[N@@H+]3Cc2ccco2)cs1 ZINC000248032390 257110979 /nfs/dbraw/zinc/11/09/79/257110979.db2.gz MCTWIHWSFLIXCO-CABCVRRESA-N 1 0 317.414 2.420 10 0 DEAERO O=C1[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2CN1c1ccsc1 ZINC000247957300 257112825 /nfs/dbraw/zinc/11/28/25/257112825.db2.gz OAJJWRONVCOEJB-UKRRQHHQSA-N 1 0 306.431 2.069 10 0 DEAERO Cc1ccsc1C(=O)N1CC[C@@H]2CO[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC000247984160 257113371 /nfs/dbraw/zinc/11/33/71/257113371.db2.gz KESLFTXQOQATAH-MCIONIFRSA-N 1 0 308.447 2.095 10 0 DEAERO c1csc(CN2C[C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C2)n1 ZINC000247929913 257113793 /nfs/dbraw/zinc/11/37/93/257113793.db2.gz QIDVHCDNZYXKDL-RRFJBIMHSA-N 1 0 307.463 2.076 10 0 DEAERO COc1ncccc1CN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccn1 ZINC000247914148 257113926 /nfs/dbraw/zinc/11/39/26/257113926.db2.gz YZAKMHQCJVFQHQ-ZWKOTPCHSA-N 1 0 324.428 2.334 10 0 DEAERO Cc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000121812544 195352950 /nfs/dbraw/zinc/35/29/50/195352950.db2.gz NYLJVPKOWADFAN-HNNXBMFYSA-N 1 0 305.422 2.026 10 0 DEAERO Cc1ccc(F)c(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000121829287 195356403 /nfs/dbraw/zinc/35/64/03/195356403.db2.gz SHFMFGMIDAHEFY-CYBMUJFWSA-N 1 0 323.412 2.165 10 0 DEAERO Cc1c(NN)[nH+]cnc1N(C)Cc1ccccc1Br ZINC000122861750 195512054 /nfs/dbraw/zinc/51/20/54/195512054.db2.gz CXRXCXRUXWKNCO-UHFFFAOYSA-N 1 0 322.210 2.470 10 0 DEAERO CC(C)[C@@](O)(C[NH3+])Cc1ccc(I)cc1 ZINC000123260501 195561778 /nfs/dbraw/zinc/56/17/78/195561778.db2.gz BHLUSYRGFQNNHF-LBPRGKRZSA-N 1 0 319.186 2.180 10 0 DEAERO C[C@H](Sc1ccc(C[NH2+]C(C)(C)C)cc1)C(=O)NC(N)=O ZINC000124337060 195630164 /nfs/dbraw/zinc/63/01/64/195630164.db2.gz QBTYTNUKVZYYPS-JTQLQIEISA-N 1 0 309.435 2.250 10 0 DEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)[C@H]1COc2ccccc21 ZINC000124934771 195695182 /nfs/dbraw/zinc/69/51/82/195695182.db2.gz JPGNUOLTERUJOB-GJZGRUSLSA-N 1 0 311.447 2.356 10 0 DEAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCOCCC(F)(F)F ZINC000125765431 195783426 /nfs/dbraw/zinc/78/34/26/195783426.db2.gz HMKYDORYOBDCNB-YPMHNXCESA-N 1 0 310.360 2.368 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[C@@H](C)C1 ZINC000246524646 285389458 /nfs/dbraw/zinc/38/94/58/285389458.db2.gz VGAWKNQJQDYBKH-GVRJEKJASA-N 1 0 323.481 2.172 10 0 DEAERO COC[C@H](C)C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000189825086 335063643 /nfs/dbraw/zinc/06/36/43/335063643.db2.gz SWHHLNAZELPHOR-MRXNPFEDSA-N 1 0 305.466 2.303 10 0 DEAERO COc1ccc(C[N@@H+]2CCN(CCO)[C@@H](C)C2)c2ccccc12 ZINC000190248837 533560812 /nfs/dbraw/zinc/56/08/12/533560812.db2.gz OMPAIIWJVKHKLI-HNNXBMFYSA-N 1 0 314.429 2.347 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NCc2cccc(O)c2)CC1 ZINC000121777275 132159608 /nfs/dbraw/zinc/15/96/08/132159608.db2.gz IQSGJZYTHAGWAB-UHFFFAOYSA-N 1 0 305.422 2.312 10 0 DEAERO O=C(NCCOc1cccc(F)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000178009134 132531418 /nfs/dbraw/zinc/53/14/18/132531418.db2.gz KFVQDESGADRGEF-RCBQFDQVSA-N 1 0 306.381 2.241 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C1CCOCC1)CC2 ZINC000246243533 132578516 /nfs/dbraw/zinc/57/85/16/132578516.db2.gz MJUGYDMALXITLO-OIISXLGYSA-N 1 0 323.481 2.458 10 0 DEAERO CC(C)NC(=O)C[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000725268848 542770616 /nfs/dbraw/zinc/77/06/16/542770616.db2.gz COVCHQFMSKAUQD-QMMMGPOBSA-N 1 0 305.241 2.468 10 0 DEAERO CC(=O)N1CC[N@H+](CCC(=O)Nc2cccc(F)c2C)[C@@H](C)C1 ZINC000357619514 133088983 /nfs/dbraw/zinc/08/89/83/133088983.db2.gz JGXTXMMAKBXNBT-LBPRGKRZSA-N 1 0 321.396 2.015 10 0 DEAERO C[NH+]1CCC(CCNC(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000357960645 133112123 /nfs/dbraw/zinc/11/21/23/133112123.db2.gz QPNMHCFFEQUFOS-UHFFFAOYSA-N 1 0 315.421 2.094 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc(F)c1 ZINC000358197733 133127867 /nfs/dbraw/zinc/12/78/67/133127867.db2.gz GBVYXRGHEFBPQJ-WBMJQRKESA-N 1 0 306.381 2.256 10 0 DEAERO CCCC[N@H+](C)CC1CCN(C(=O)NCCc2cn[nH]c2)CC1 ZINC000360303850 133174433 /nfs/dbraw/zinc/17/44/33/133174433.db2.gz RXQPVTOPCFHRRR-UHFFFAOYSA-N 1 0 321.469 2.106 10 0 DEAERO C[C@@H]1CCOCCN1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000362003981 133204797 /nfs/dbraw/zinc/20/47/97/133204797.db2.gz NCRQESJDMMJZIC-CJNGLKHVSA-N 1 0 323.412 2.249 10 0 DEAERO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000362528881 133235800 /nfs/dbraw/zinc/23/58/00/133235800.db2.gz OVRRNOMDEJMLMZ-CYBMUJFWSA-N 1 0 315.421 2.002 10 0 DEAERO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC3(CCOCC3)[C@H]2C)on1 ZINC000368217976 133265083 /nfs/dbraw/zinc/26/50/83/133265083.db2.gz CCJQTOXUGQJUSG-QWHCGFSZSA-N 1 0 307.394 2.201 10 0 DEAERO O=C(NOCc1ccc(F)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376842194 133309778 /nfs/dbraw/zinc/30/97/78/133309778.db2.gz LOCWMFPIRSIABO-LSDHHAIUSA-N 1 0 307.369 2.183 10 0 DEAERO COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000377082183 133317834 /nfs/dbraw/zinc/31/78/34/133317834.db2.gz KBHRMLOXORPJOQ-QKPAOTATSA-N 1 0 311.422 2.465 10 0 DEAERO c1nc(C2OCCO2)sc1CNC1CC([NH+]2CCCCC2)C1 ZINC000377621714 133336944 /nfs/dbraw/zinc/33/69/44/133336944.db2.gz GHJGEDZTLKNGPC-UHFFFAOYSA-N 1 0 323.462 2.295 10 0 DEAERO C[C@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)C[C@]2(CCOC2)O1 ZINC000373488932 133393056 /nfs/dbraw/zinc/39/30/56/133393056.db2.gz IVFIFOOYJRUQKE-LRDDRELGSA-N 1 0 303.362 2.050 10 0 DEAERO Cc1nccc(CN2CCC(Oc3ncccc3F)CC2)n1 ZINC000373598474 133397175 /nfs/dbraw/zinc/39/71/75/133397175.db2.gz WPEWDHDKKPJTGM-UHFFFAOYSA-N 1 0 302.353 2.363 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373924452 133409656 /nfs/dbraw/zinc/40/96/56/133409656.db2.gz MCMFIHLHDWTVBE-QWHCGFSZSA-N 1 0 305.426 2.292 10 0 DEAERO O=C(N[C@@H]1CCn2ccnc2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000548310887 285716308 /nfs/dbraw/zinc/71/63/08/285716308.db2.gz ZJJSGOZDYOQYSQ-QGZVFWFLSA-N 1 0 324.428 2.224 10 0 DEAERO C[C@H]([NH2+]CCOCC1CCC1)c1ccc(-n2cnnn2)cc1 ZINC000564695178 292105185 /nfs/dbraw/zinc/10/51/85/292105185.db2.gz YOUYEMLGDJCXSO-ZDUSSCGKSA-N 1 0 301.394 2.130 10 0 DEAERO C[C@H](Oc1cccnc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130062357 144751478 /nfs/dbraw/zinc/75/14/78/144751478.db2.gz SODQRJMBXLKKIJ-NFOMZHRRSA-N 1 0 305.422 2.086 10 0 DEAERO Cc1noc(CSc2ccccc2C(=O)NCC[C@@H](C)[NH3+])n1 ZINC000178651601 144862661 /nfs/dbraw/zinc/86/26/61/144862661.db2.gz AZJPKFAPLHXUOI-SNVBAGLBSA-N 1 0 320.418 2.137 10 0 DEAERO CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000182122515 144913530 /nfs/dbraw/zinc/91/35/30/144913530.db2.gz TTWVEKLADRSIEE-CXAGYDPISA-N 1 0 306.406 2.085 10 0 DEAERO O=C(NCC[C@@H]1CCCCO1)N1CCC([NH+]2CCCC2)CC1 ZINC000182184714 144914910 /nfs/dbraw/zinc/91/49/10/144914910.db2.gz ZYADYHDDDIFHNO-INIZCTEOSA-N 1 0 309.454 2.215 10 0 DEAERO Cc1cc(N2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000187214580 144996024 /nfs/dbraw/zinc/99/60/24/144996024.db2.gz CXGXODSDPHNRHC-UHFFFAOYSA-N 1 0 322.453 2.352 10 0 DEAERO Cc1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c(C)n1 ZINC000187305899 144997912 /nfs/dbraw/zinc/99/79/12/144997912.db2.gz QVBZEAZRSZHNFP-KRWDZBQOSA-N 1 0 314.433 2.378 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000187503000 145000380 /nfs/dbraw/zinc/00/03/80/145000380.db2.gz SMZSYUFLQQGSSD-ZIAGYGMSSA-N 1 0 318.421 2.031 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([C@@H]3CCCO3)CC2)C1 ZINC000187619795 145001756 /nfs/dbraw/zinc/00/17/56/145001756.db2.gz DSSZDLPLVPSTNJ-CVEARBPZSA-N 1 0 309.454 2.071 10 0 DEAERO O=C(c1cn2ccnc2s1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000188567729 145014082 /nfs/dbraw/zinc/01/40/82/145014082.db2.gz PDYXRCVXDCJKQI-CYBMUJFWSA-N 1 0 318.446 2.344 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn2ccnc2s1 ZINC000188616847 145014541 /nfs/dbraw/zinc/01/45/41/145014541.db2.gz RUVIWAGEEJMPAH-VXGBXAGGSA-N 1 0 304.419 2.095 10 0 DEAERO O=C(C[C@H](O)c1ccc(Cl)cc1)N1CC[NH+]2CCC1CC2 ZINC000188844264 145018515 /nfs/dbraw/zinc/01/85/15/145018515.db2.gz FWTJCSRGAPEMCY-HNNXBMFYSA-N 1 0 308.809 2.070 10 0 DEAERO CCCOc1nc(C)ccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000189212774 145023919 /nfs/dbraw/zinc/02/39/19/145023919.db2.gz AYXMSWJXAZHWOE-AWEZNQCLSA-N 1 0 317.433 2.393 10 0 DEAERO O[C@@H](CC1CCCC1)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000190377709 145041926 /nfs/dbraw/zinc/04/19/26/145041926.db2.gz ZRYYHJRMFFKNKS-AWEZNQCLSA-N 1 0 308.388 2.498 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@H](COCC)C(C)C)CC1 ZINC000190449040 145042660 /nfs/dbraw/zinc/04/26/60/145042660.db2.gz WJKIXCZOORWFFK-MRXNPFEDSA-N 1 0 313.486 2.469 10 0 DEAERO CCC(=O)Nc1cccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000190738175 145047181 /nfs/dbraw/zinc/04/71/81/145047181.db2.gz WMAPJISBPNERIZ-OAHLLOKOSA-N 1 0 315.417 2.392 10 0 DEAERO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCCN(C)C(=O)C1 ZINC000191121560 145053590 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/nfs/dbraw/zinc/21/48/06/145214806.db2.gz GDQSJKFLPZPOJZ-MRXNPFEDSA-N 1 0 320.408 2.118 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CSc1ccc2c(c1)CCC2 ZINC000261684387 145216110 /nfs/dbraw/zinc/21/61/10/145216110.db2.gz IAFGXWZBNNPLGY-CHWSQXEVSA-N 1 0 304.459 2.463 10 0 DEAERO C[C@@H](C(=O)N1CCCc2ccccc21)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261711427 145219144 /nfs/dbraw/zinc/21/91/44/145219144.db2.gz MMXWUDPTUZIXTQ-YOEHRIQHSA-N 1 0 315.461 2.414 10 0 DEAERO C[C@@H]([NH3+])CC(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000261749418 145222913 /nfs/dbraw/zinc/22/29/13/145222913.db2.gz HCQXPUUQYAVIJL-CQSZACIVSA-N 1 0 301.434 2.025 10 0 DEAERO Clc1cccc([C@@H](CNC2=[NH+]CCCN2)N2CCCC2)c1 ZINC000261771238 145223978 /nfs/dbraw/zinc/22/39/78/145223978.db2.gz MTADAXHSVBXSOA-OAHLLOKOSA-N 1 0 306.841 2.416 10 0 DEAERO COC(=O)c1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261781605 145225912 /nfs/dbraw/zinc/22/59/12/145225912.db2.gz TZLCFSAPNQRXGD-QGZVFWFLSA-N 1 0 311.385 2.015 10 0 DEAERO [NH3+]C1(C(=O)N2CCC[C@@H](c3ccccc3)CC2)CCOCC1 ZINC000261794648 145227620 /nfs/dbraw/zinc/22/76/20/145227620.db2.gz ILZIHGFNNUATTN-MRXNPFEDSA-N 1 0 302.418 2.291 10 0 DEAERO Cc1nn(-c2ccccc2)cc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261801762 145228461 /nfs/dbraw/zinc/22/84/61/145228461.db2.gz HAVQWOQRNXUYPU-MRXNPFEDSA-N 1 0 312.417 2.380 10 0 DEAERO c1coc(-c2cc(CN3CC[NH2+]C[C@H]3c3cccnc3)no2)c1 ZINC000261819214 145230141 /nfs/dbraw/zinc/23/01/41/145230141.db2.gz SBVTUKCMANZGPS-HNNXBMFYSA-N 1 0 310.357 2.476 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCN1c2ccccc2CC[C@@H]1C ZINC000261820809 145230556 /nfs/dbraw/zinc/23/05/56/145230556.db2.gz NNFDMHVKCSIRFK-ARFHVFGLSA-N 1 0 315.461 2.414 10 0 DEAERO C[C@H](NC(=O)CN1CCCC[C@H]1CC[NH3+])c1ccc(F)cc1 ZINC000261854650 145233671 /nfs/dbraw/zinc/23/36/71/145233671.db2.gz DZWCZLUAAOKALW-BBRMVZONSA-N 1 0 307.413 2.206 10 0 DEAERO Cc1ccccc1C[C@@H](C)NC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261875548 145235944 /nfs/dbraw/zinc/23/59/44/145235944.db2.gz UBTUEXJYGQYXTF-WBVHZDCISA-N 1 0 317.477 2.101 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1Oc2ccccc2[C@H]1C ZINC000261873213 145236264 /nfs/dbraw/zinc/23/62/64/145236264.db2.gz YDEOUCJWICWQFK-OOKGIHQLSA-N 1 0 302.418 2.431 10 0 DEAERO C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccccc1-n1cccn1 ZINC000261897042 145238373 /nfs/dbraw/zinc/23/83/73/145238373.db2.gz YANSLQHPDAIHPC-LSDHHAIUSA-N 1 0 312.417 2.439 10 0 DEAERO C[C@H]1CCN(C(=O)Cc2cccc(OC(F)F)c2)[C@@H](C[NH3+])C1 ZINC000261896292 145238727 /nfs/dbraw/zinc/23/87/27/145238727.db2.gz VSWHLUKHEPMTNR-WCQYABFASA-N 1 0 312.360 2.416 10 0 DEAERO CC(C)c1noc2ncc(C(=O)N3C[C@H](C[NH3+])C[C@H]3C)cc21 ZINC000261893409 145238930 /nfs/dbraw/zinc/23/89/30/145238930.db2.gz VUCTZNIOVAOOJA-MNOVXSKESA-N 1 0 302.378 2.156 10 0 DEAERO COC(=O)c1cc(NC(=O)CC[C@H]2CC[NH2+]C2)cc(C)c1C ZINC000261901559 145239151 /nfs/dbraw/zinc/23/91/51/145239151.db2.gz ZBHRQVCADXKQKN-ZDUSSCGKSA-N 1 0 304.390 2.418 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)O1 ZINC000261903088 145239420 /nfs/dbraw/zinc/23/94/20/145239420.db2.gz WRUQBJFVZYTODM-SJORKVTESA-N 1 0 310.397 2.399 10 0 DEAERO Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)s1 ZINC000261906988 145240543 /nfs/dbraw/zinc/24/05/43/145240543.db2.gz IKYRTAYYZCVYLF-RBSFLKMASA-N 1 0 309.479 2.049 10 0 DEAERO Cc1ccccc1CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261923198 145242543 /nfs/dbraw/zinc/24/25/43/145242543.db2.gz RXUMEMPZMYVMEZ-JTDSTZFVSA-N 1 0 316.445 2.186 10 0 DEAERO O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000261935500 145243911 /nfs/dbraw/zinc/24/39/11/145243911.db2.gz ZKYBWBYWIBGVDP-GXTWGEPZSA-N 1 0 318.421 2.043 10 0 DEAERO C/C=C/c1ccc(OCC(=O)N2CC[C@@](C)(C[NH3+])C2)c(OC)c1 ZINC000261938733 145244839 /nfs/dbraw/zinc/24/48/39/145244839.db2.gz JFCBMJGZUWZEFW-WRFKIARRSA-N 1 0 318.417 2.304 10 0 DEAERO CN(Cc1nccs1)[C@H]1CC12CCN(CC(C)(C)[NH3+])CC2 ZINC000261941794 145244966 /nfs/dbraw/zinc/24/49/66/145244966.db2.gz MUHALBCOCKPXJD-ZDUSSCGKSA-N 1 0 308.495 2.167 10 0 DEAERO [NH3+]C1(c2noc(CCc3ccc4c(c3)OCCO4)n2)CCCC1 ZINC000261942849 145245091 /nfs/dbraw/zinc/24/50/91/145245091.db2.gz MWHQKXROCDKJAS-UHFFFAOYSA-N 1 0 315.373 2.354 10 0 DEAERO CCC1CCC(N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000261951196 145246403 /nfs/dbraw/zinc/24/64/03/145246403.db2.gz OITDCGOCPOLJNY-BNICSPFPSA-N 1 0 318.465 2.150 10 0 DEAERO COc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1F ZINC000261956885 145247098 /nfs/dbraw/zinc/24/70/98/145247098.db2.gz XGLMHRZWPRDUNM-JDSLSITLSA-N 1 0 322.380 2.305 10 0 DEAERO CC(C)n1ncc2cc(C(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)cnc21 ZINC000261963742 145247902 /nfs/dbraw/zinc/24/79/02/145247902.db2.gz LEGMHSZGHUOCFF-CQSZACIVSA-N 1 0 315.421 2.212 10 0 DEAERO CC(C)OCc1cccc(NC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000261985720 145250345 /nfs/dbraw/zinc/25/03/45/145250345.db2.gz SCLCOIACFNULSG-UHFFFAOYSA-N 1 0 306.406 2.306 10 0 DEAERO [NH3+][C@H](C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCOCC1 ZINC000261996134 145250684 /nfs/dbraw/zinc/25/06/84/145250684.db2.gz NCMBBVHKNJLLOF-UHTWSYAYSA-N 1 0 322.371 2.225 10 0 DEAERO Fc1ccc(Cn2cc(CN(C3CC3)[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000262009289 145252734 /nfs/dbraw/zinc/25/27/34/145252734.db2.gz UVXLJRWWBQHDAZ-GOSISDBHSA-N 1 0 314.408 2.397 10 0 DEAERO COCC[C@]1(c2nc(COc3ccccc3F)no2)CC[NH2+]C1 ZINC000262006866 145252973 /nfs/dbraw/zinc/25/29/73/145252973.db2.gz LYBXISAICSAFGV-MRXNPFEDSA-N 1 0 321.352 2.055 10 0 DEAERO Cn1c2ccc(CN3CC[C@H]([NH3+])C(C)(C)C3)cc2sc1=O ZINC000262026675 145254668 /nfs/dbraw/zinc/25/46/68/145254668.db2.gz WPPYJWHEJRWSRP-AWEZNQCLSA-N 1 0 305.447 2.159 10 0 DEAERO CC1(C)CN(C(=O)c2occc2Br)CC[C@@H]1[NH3+] ZINC000262103163 145262281 /nfs/dbraw/zinc/26/22/81/145262281.db2.gz VCLAZJLLTJJBPO-VIFPVBQESA-N 1 0 301.184 2.242 10 0 DEAERO Cn1ccnc1CN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000262124756 145264007 /nfs/dbraw/zinc/26/40/07/145264007.db2.gz MTFGHPLORDEKPP-ZDUSSCGKSA-N 1 0 317.462 2.021 10 0 DEAERO Fc1cc(Br)c(CNC2=[NH+]CCCN2)cc1F ZINC000262130909 145264556 /nfs/dbraw/zinc/26/45/56/145264556.db2.gz NWNXFRVGFSUFTB-UHFFFAOYSA-N 1 0 304.138 2.166 10 0 DEAERO CC(C)NC(=O)Nc1ccccc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262167661 145267622 /nfs/dbraw/zinc/26/76/22/145267622.db2.gz JVHKJECOFFGDBA-LLVKDONJSA-N 1 0 304.394 2.011 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 ZINC000262190975 145268964 /nfs/dbraw/zinc/26/89/64/145268964.db2.gz ZQUWJHZMDOHSGZ-MRXNPFEDSA-N 1 0 306.793 2.313 10 0 DEAERO CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262231012 145270589 /nfs/dbraw/zinc/27/05/89/145270589.db2.gz QIPQPUXHWIYNCJ-SNVBAGLBSA-N 1 0 323.824 2.272 10 0 DEAERO C[C@@H]1C[N@@H+](CC2CC[NH+](CCCCC(=O)[O-])CC2)C[C@H](C)O1 ZINC000262261558 145272160 /nfs/dbraw/zinc/27/21/60/145272160.db2.gz REFKKOXEUMIGTQ-GASCZTMLSA-N 1 0 312.454 2.063 10 0 DEAERO O=C(N[C@@H](COc1ccccc1F)c1ccccc1)C1C[NH2+]C1 ZINC000262299944 145274537 /nfs/dbraw/zinc/27/45/37/145274537.db2.gz ZKLNNYUNXRYRCF-INIZCTEOSA-N 1 0 314.360 2.281 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000262301499 145275254 /nfs/dbraw/zinc/27/52/54/145275254.db2.gz KUJQRWSHGHTQRT-MEDUHNTESA-N 1 0 311.376 2.177 10 0 DEAERO C[C@@H]1CCCC[C@H]1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262312392 145275896 /nfs/dbraw/zinc/27/58/96/145275896.db2.gz QNYSOICDVTYJIL-WTTBNOFXSA-N 1 0 318.465 2.056 10 0 DEAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(C2CCCCC2)cc1 ZINC000262320338 145276333 /nfs/dbraw/zinc/27/63/33/145276333.db2.gz RHDPJPRZAVSCRH-IRXDYDNUSA-N 1 0 302.418 2.044 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000262319734 145276355 /nfs/dbraw/zinc/27/63/55/145276355.db2.gz QVVMYEKKHLGSPL-WMLDXEAASA-N 1 0 303.406 2.304 10 0 DEAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(C2CCCCC2)cc1 ZINC000262320340 145276659 /nfs/dbraw/zinc/27/66/59/145276659.db2.gz RHDPJPRZAVSCRH-SJORKVTESA-N 1 0 302.418 2.044 10 0 DEAERO [NH3+]CC1(C(=O)Nc2ccc(OC(F)F)c(F)c2)CCOCC1 ZINC000262353612 145278757 /nfs/dbraw/zinc/27/87/57/145278757.db2.gz VOCUWMJKKILKOX-UHFFFAOYSA-N 1 0 318.295 2.121 10 0 DEAERO Cc1noc(C)c1C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000262387429 145280599 /nfs/dbraw/zinc/28/05/99/145280599.db2.gz NUPXYWLBQWKMFA-LSDHHAIUSA-N 1 0 317.364 2.306 10 0 DEAERO Cc1ccc(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000262433909 145283420 /nfs/dbraw/zinc/28/34/20/145283420.db2.gz GCQKTQVWESXGEE-AWEZNQCLSA-N 1 0 322.840 2.160 10 0 DEAERO C[C@@H](C[NH3+])C(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000262460006 145285045 /nfs/dbraw/zinc/28/50/45/145285045.db2.gz WZKDWDPAOXNIPA-NHYWBVRUSA-N 1 0 318.808 2.273 10 0 DEAERO O=C(NC1CC[NH2+]CC1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000262512243 145288989 /nfs/dbraw/zinc/28/89/89/145288989.db2.gz OTYOSNXAVWNHKP-ZIAGYGMSSA-N 1 0 323.234 2.421 10 0 DEAERO Cc1cc(C)n(Cc2ccc(C(=O)NC3CC[NH2+]CC3)cc2)n1 ZINC000262521535 145290116 /nfs/dbraw/zinc/29/01/16/145290116.db2.gz XFDHVXDRAOZJBA-UHFFFAOYSA-N 1 0 312.417 2.030 10 0 DEAERO O=C(NCC[C@H]1CC[NH2+]C1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000262585646 145295558 /nfs/dbraw/zinc/29/55/58/145295558.db2.gz OIVOKLNYAHIFKB-GFCCVEGCSA-N 1 0 318.808 2.255 10 0 DEAERO C[C@H](CNC1=[NH+]CCCN1)Oc1cccc(Br)c1 ZINC000262671992 145299028 /nfs/dbraw/zinc/29/90/28/145299028.db2.gz PVKVBJJVSAFYBV-SNVBAGLBSA-N 1 0 312.211 2.155 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(Cl)cc1F ZINC000262763241 145304399 /nfs/dbraw/zinc/30/43/99/145304399.db2.gz GNPORYCHMRLEEL-NXEZZACHSA-N 1 0 320.817 2.206 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)COc1cc(Cl)ccc1Cl ZINC000262793237 145305077 /nfs/dbraw/zinc/30/50/77/145305077.db2.gz NDYGHOSXIPAUHC-SKDRFNHKSA-N 1 0 317.216 2.486 10 0 DEAERO [NH3+]C[C@H](NS(=O)(=O)CC1CC1)c1ccc2ccccc2c1 ZINC000262802355 145305665 /nfs/dbraw/zinc/30/56/65/145305665.db2.gz RESOBGAHRRAZCY-INIZCTEOSA-N 1 0 304.415 2.169 10 0 DEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H](O)c1cccc(Cl)c1 ZINC000262903001 145309971 /nfs/dbraw/zinc/30/99/71/145309971.db2.gz DVHKLKNTDDAHEE-FMKPAKJESA-N 1 0 310.825 2.397 10 0 DEAERO Cc1ccc([C@H]2OCCC[C@@H]2C(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000263062533 145322057 /nfs/dbraw/zinc/32/20/57/145322057.db2.gz HWAXBRPLMLURGP-ZWKOTPCHSA-N 1 0 314.429 2.499 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cnc(C(C)(C)C)s2)n1 ZINC000263173527 145332024 /nfs/dbraw/zinc/33/20/24/145332024.db2.gz GAJAVDFZJSOCCH-SECBINFHSA-N 1 0 307.423 2.067 10 0 DEAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(-c2ccccc2)cc1F ZINC000263223036 145338040 /nfs/dbraw/zinc/33/80/40/145338040.db2.gz MFAMYEGCZQZLFR-SJLPKXTDSA-N 1 0 300.377 2.163 10 0 DEAERO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000332992637 145392955 /nfs/dbraw/zinc/39/29/55/145392955.db2.gz LZGMAXZTOUKEDY-JQFCIGGWSA-N 1 0 302.418 2.157 10 0 DEAERO COC(=O)c1cncc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000336713412 145398098 /nfs/dbraw/zinc/39/80/98/145398098.db2.gz MSXXURIFPXOGCG-ZDUSSCGKSA-N 1 0 314.389 2.196 10 0 DEAERO CN(C(=O)c1ncccc1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000336811050 145398796 /nfs/dbraw/zinc/39/87/96/145398796.db2.gz KVPCNIHAELJDME-GFCCVEGCSA-N 1 0 324.222 2.010 10 0 DEAERO CC(C)C(C[NH2+]CCN1CCN(C(=O)C2CCC2)CC1)C(C)C ZINC000551186977 285885889 /nfs/dbraw/zinc/88/58/89/285885889.db2.gz UBOBVNQDBPRZPV-UHFFFAOYSA-N 1 0 323.525 2.449 10 0 DEAERO CN(C(=O)c1occc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000364650525 404486091 /nfs/dbraw/zinc/48/60/91/404486091.db2.gz XIUYZXOIWYAGSJ-SECBINFHSA-N 1 0 301.184 2.256 10 0 DEAERO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC(=O)CC1 ZINC000348802191 146310489 /nfs/dbraw/zinc/31/04/89/146310489.db2.gz MBLZWIZZZRATMV-INIZCTEOSA-N 1 0 314.429 2.384 10 0 DEAERO O=C(NCCC[NH+]1CCCCC1)NCc1ccc2cc[nH]c2n1 ZINC000358471653 147140940 /nfs/dbraw/zinc/14/09/40/147140940.db2.gz ULXGMXLSCBHIIS-UHFFFAOYSA-N 1 0 315.421 2.238 10 0 DEAERO COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2C[C@@H]2C)c1 ZINC000358563797 147156582 /nfs/dbraw/zinc/15/65/82/147156582.db2.gz QXXKDQLLLYHXKK-GOEBONIOSA-N 1 0 319.449 2.424 10 0 DEAERO C[C@H]1CN(C(=O)c2cn(C)c3ccc(F)cc23)C[C@H](C)[NH+]1C ZINC000358722233 147189853 /nfs/dbraw/zinc/18/98/53/147189853.db2.gz YIWCMXGOMJMCMA-RYUDHWBXSA-N 1 0 303.381 2.482 10 0 DEAERO Cc1cn2c(n1)CN(S(=O)(=O)c1cccc(Cl)c1)CC2 ZINC000371702303 148132801 /nfs/dbraw/zinc/13/28/01/148132801.db2.gz XXRTZPOOUPNLSR-UHFFFAOYSA-N 1 0 311.794 2.049 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCOc2cccc(F)c2C1 ZINC000374813219 148291596 /nfs/dbraw/zinc/29/15/96/148291596.db2.gz YSNGMGSQQKBBCZ-ZDUSSCGKSA-N 1 0 321.396 2.214 10 0 DEAERO O=C(NCc1ccccc1-n1cccn1)C12CCC[NH+]1CCC2 ZINC000375085290 148329088 /nfs/dbraw/zinc/32/90/88/148329088.db2.gz QZTXRCXOXLAOLD-UHFFFAOYSA-N 1 0 310.401 2.117 10 0 DEAERO O[C@H](C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)CC(F)(F)F ZINC000375508721 148381105 /nfs/dbraw/zinc/38/11/05/148381105.db2.gz URRHUENDABVELC-STQMWFEESA-N 1 0 307.287 2.032 10 0 DEAERO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000111684423 401721103 /nfs/dbraw/zinc/72/11/03/401721103.db2.gz HKQXJWALNFHBPQ-RDJZCZTQSA-N 1 0 302.418 2.115 10 0 DEAERO CCC(CC)[C@@H](O)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000111826632 401724698 /nfs/dbraw/zinc/72/46/98/401724698.db2.gz WUHVVOFGORXEPP-GJZGRUSLSA-N 1 0 301.475 2.059 10 0 DEAERO O=C(NC[C@@H]1CCCO1)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000000317511 401694375 /nfs/dbraw/zinc/69/43/75/401694375.db2.gz ZBOIXGYNLAYVOG-RDJZCZTQSA-N 1 0 306.450 2.350 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000126556672 401699497 /nfs/dbraw/zinc/69/94/97/401699497.db2.gz HBVAODZFQNEIDV-YOEHRIQHSA-N 1 0 317.433 2.335 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000126557383 401699511 /nfs/dbraw/zinc/69/95/11/401699511.db2.gz HBVAODZFQNEIDV-RHSMWYFYSA-N 1 0 317.433 2.335 10 0 DEAERO CC[C@@H]1C[N@H+](CCCCCn2cc(C)cn2)CCN1CCOC ZINC000111228120 401702015 /nfs/dbraw/zinc/70/20/15/401702015.db2.gz HQISMLDIYQSYIN-GOSISDBHSA-N 1 0 322.497 2.404 10 0 DEAERO C[C@@H]1CN(C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000111236543 401702661 /nfs/dbraw/zinc/70/26/61/401702661.db2.gz JFCGUTYHIKGPBK-OAHLLOKOSA-N 1 0 316.445 2.307 10 0 DEAERO COc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2ccccc2C)cc1 ZINC000008031158 401747567 /nfs/dbraw/zinc/74/75/67/401747567.db2.gz XRXBUXAFBZMNKO-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO COc1ccccc1[C@H](C[NH3+])S(=O)(=O)c1ccc(C)cc1 ZINC000008037196 401747947 /nfs/dbraw/zinc/74/79/47/401747947.db2.gz XWFJAHOIVFRBGO-INIZCTEOSA-N 1 0 305.399 2.477 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000111511561 401717302 /nfs/dbraw/zinc/71/73/02/401717302.db2.gz HBBZCHXAFUAJRY-HZPDHXFCSA-N 1 0 319.453 2.141 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc(C)nc2)[C@H](C)C1 ZINC000129212847 401800581 /nfs/dbraw/zinc/80/05/81/401800581.db2.gz LOZNRMVNPVLTOP-RHSMWYFYSA-N 1 0 318.465 2.304 10 0 DEAERO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Br)c1O ZINC000008206662 401749839 /nfs/dbraw/zinc/74/98/39/401749839.db2.gz JTDPHLIRMMKZEM-JTQLQIEISA-N 1 0 316.195 2.432 10 0 DEAERO CC(C)[C@H](CNC(=O)NCC1(C)COC1)[NH+]1CCC(C)CC1 ZINC000112715471 401755829 /nfs/dbraw/zinc/75/58/29/401755829.db2.gz CYOPDJWIAGKLQM-HNNXBMFYSA-N 1 0 311.470 2.079 10 0 DEAERO CCC[C@H]1CN(C(=O)c2ccc(C)nc2C)CC[N@@H+]1CCOC ZINC000128193256 401766542 /nfs/dbraw/zinc/76/65/42/401766542.db2.gz HCIIQPFARIEXTD-INIZCTEOSA-N 1 0 319.449 2.271 10 0 DEAERO C[C@](O)(C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1)c1ccccc1 ZINC000075827186 401769696 /nfs/dbraw/zinc/76/96/96/401769696.db2.gz KYVRMSGQXJHVEP-LPHOPBHVSA-N 1 0 316.445 2.132 10 0 DEAERO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000075829587 401769873 /nfs/dbraw/zinc/76/98/73/401769873.db2.gz BTHQAMPWGWLOKA-LPHOPBHVSA-N 1 0 318.461 2.378 10 0 DEAERO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000075842862 401770209 /nfs/dbraw/zinc/77/02/09/401770209.db2.gz KMQWBQINGQRXLK-KBRIMQKVSA-N 1 0 320.408 2.192 10 0 DEAERO CCc1nc(NC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)sc1C ZINC000113269167 401773775 /nfs/dbraw/zinc/77/37/75/401773775.db2.gz VRCGPGOUAIRVSN-AAEUAGOBSA-N 1 0 322.478 2.121 10 0 DEAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1C[C@H]1C ZINC000075958656 401775187 /nfs/dbraw/zinc/77/51/87/401775187.db2.gz NHVDIULACNWLIS-CZUORRHYSA-N 1 0 302.422 2.277 10 0 DEAERO CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000114803061 401810741 /nfs/dbraw/zinc/81/07/41/401810741.db2.gz IAFVYYZJLFVWCD-JKSUJKDBSA-N 1 0 322.453 2.339 10 0 DEAERO CCc1nc(CC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cs1 ZINC000076482374 401795761 /nfs/dbraw/zinc/79/57/61/401795761.db2.gz NEYVAYJBZLZSJS-JSGCOSHPSA-N 1 0 309.479 2.437 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COc3ccccc3C2)[C@H](C)C1 ZINC000076483097 401796727 /nfs/dbraw/zinc/79/67/27/401796727.db2.gz CKOCLLROAHTPNN-OIISXLGYSA-N 1 0 316.445 2.426 10 0 DEAERO Cc1cc(C)n(CC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000115416157 401827186 /nfs/dbraw/zinc/82/71/86/401827186.db2.gz JUAXYYIZFWFAKH-UHFFFAOYSA-N 1 0 318.396 2.017 10 0 DEAERO Cc1ccc(NC(=O)N[C@H](C)[C@@H](C)CO)c(OCC[NH+](C)C)c1 ZINC000077722777 401827254 /nfs/dbraw/zinc/82/72/54/401827254.db2.gz NIHPOIDGJCHVIB-UONOGXRCSA-N 1 0 323.437 2.074 10 0 DEAERO CC[NH+](CC)CC(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000117269508 401871121 /nfs/dbraw/zinc/87/11/21/401871121.db2.gz OSQWCWRMFYRLEG-OAHLLOKOSA-N 1 0 319.449 2.122 10 0 DEAERO Cc1cccnc1[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000115810490 401837723 /nfs/dbraw/zinc/83/77/23/401837723.db2.gz IPUVNOMWHQNGTJ-GJZGRUSLSA-N 1 0 304.438 2.481 10 0 DEAERO COc1ccccc1NC(=O)C[N@H+](C)CCCn1ccnc1C ZINC000130866783 401840604 /nfs/dbraw/zinc/84/06/04/401840604.db2.gz KPUIEUGSTNUVID-UHFFFAOYSA-N 1 0 316.405 2.161 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCc1cscn1 ZINC000131110795 401844128 /nfs/dbraw/zinc/84/41/28/401844128.db2.gz QARKUCMVERVMKB-WCQYABFASA-N 1 0 311.476 2.071 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccn1 ZINC000116246907 401846900 /nfs/dbraw/zinc/84/69/00/401846900.db2.gz MBGSUIWBSOJDKF-HOCLYGCPSA-N 1 0 310.401 2.117 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2ccco2)CC1 ZINC000116288999 401848767 /nfs/dbraw/zinc/84/87/67/401848767.db2.gz ZGESURPDEVMVRP-MRXNPFEDSA-N 1 0 319.449 2.406 10 0 DEAERO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116322289 401850211 /nfs/dbraw/zinc/85/02/11/401850211.db2.gz VWPQFLKRWKLFQS-ZBFHGGJFSA-N 1 0 324.428 2.187 10 0 DEAERO C[C@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)c2ccccc21 ZINC000079391695 401872328 /nfs/dbraw/zinc/87/23/28/401872328.db2.gz DUACSMMDSROXTI-HNNXBMFYSA-N 1 0 317.433 2.432 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc(C[S@@](C)=O)c1 ZINC000078614823 401858360 /nfs/dbraw/zinc/85/83/60/401858360.db2.gz IQWLWFQBHDTECD-AOMKIAJQSA-N 1 0 324.490 2.271 10 0 DEAERO COC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)s1 ZINC000078614992 401858822 /nfs/dbraw/zinc/85/88/22/401858822.db2.gz RLQXWYPDTVABJN-NSHDSACASA-N 1 0 312.435 2.241 10 0 DEAERO C[C@@H]1CCc2sc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc2C1 ZINC000116788329 401859180 /nfs/dbraw/zinc/85/91/80/401859180.db2.gz JIWKOLUQXDXXSD-TZMCWYRMSA-N 1 0 322.474 2.276 10 0 DEAERO CC(C)Cc1ccc(CC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116797919 401859650 /nfs/dbraw/zinc/85/96/50/401859650.db2.gz GGYGNMQZVOCXOP-GOSISDBHSA-N 1 0 318.461 2.217 10 0 DEAERO CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116889447 401863837 /nfs/dbraw/zinc/86/38/37/401863837.db2.gz CJBXLMNGXAORAW-MRXNPFEDSA-N 1 0 310.463 2.009 10 0 DEAERO C[C@@H](CC[NH2+]Cc1ccc(Br)cn1)[S@](C)=O ZINC000132542056 401869115 /nfs/dbraw/zinc/86/91/15/401869115.db2.gz KPOTUHMHVDEVHJ-XXFAHNHDSA-N 1 0 305.241 2.091 10 0 DEAERO CC(C)CSCCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000129944010 401812435 /nfs/dbraw/zinc/81/24/35/401812435.db2.gz YUYPETIRYTUYLE-HNNXBMFYSA-N 1 0 311.495 2.421 10 0 DEAERO c1csc(Cn2cccc2C[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000119122070 401927138 /nfs/dbraw/zinc/92/71/38/401927138.db2.gz DMULFKLOKHQFQS-ZDUSSCGKSA-N 1 0 313.430 2.294 10 0 DEAERO C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)N1CCOCC1 ZINC000119134903 401927592 /nfs/dbraw/zinc/92/75/92/401927592.db2.gz YKPPNAVNNFHHTH-XOSAIJSUSA-N 1 0 308.466 2.428 10 0 DEAERO Cc1cnc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)s1 ZINC000079507673 401875321 /nfs/dbraw/zinc/87/53/21/401875321.db2.gz CEMDMLBHNMOOIB-LLVKDONJSA-N 1 0 324.450 2.169 10 0 DEAERO CC(C)Oc1cccnc1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000079531341 401875409 /nfs/dbraw/zinc/87/54/09/401875409.db2.gz XWCHQALZOBJEGV-CQSZACIVSA-N 1 0 305.422 2.331 10 0 DEAERO C[C@@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000079619964 401877919 /nfs/dbraw/zinc/87/79/19/401877919.db2.gz CTYAAGMOLNSYIZ-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000133064659 401878871 /nfs/dbraw/zinc/87/88/71/401878871.db2.gz GMZYIBSWNUVOTL-CQSZACIVSA-N 1 0 314.451 2.444 10 0 DEAERO C[C@]1(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000133330143 401881863 /nfs/dbraw/zinc/88/18/63/401881863.db2.gz HTKTWJGQVHBHDK-NVXWUHKLSA-N 1 0 309.454 2.215 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)Cc1ccccc1Cl ZINC000036076812 401902089 /nfs/dbraw/zinc/90/20/89/401902089.db2.gz JSKMOCAZKYOJKC-LBPRGKRZSA-N 1 0 318.870 2.490 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)NCC1([NH3+])CCCCCC1 ZINC000036266828 401903713 /nfs/dbraw/zinc/90/37/13/401903713.db2.gz SBNGITMLHFFOFX-UHFFFAOYSA-N 1 0 314.426 2.464 10 0 DEAERO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134497266 401904969 /nfs/dbraw/zinc/90/49/69/401904969.db2.gz JWDKGDJLBYCBLN-CQSZACIVSA-N 1 0 316.405 2.013 10 0 DEAERO CCNC(=O)C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000036780411 401907708 /nfs/dbraw/zinc/90/77/08/401907708.db2.gz KUAAIIGKEDKGKG-NSHDSACASA-N 1 0 300.349 2.335 10 0 DEAERO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccccc1 ZINC000089140672 401936960 /nfs/dbraw/zinc/93/69/60/401936960.db2.gz OFIKYOOPSRDHSX-IUODEOHRSA-N 1 0 306.406 2.041 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)c2nc3ccccc3[nH]2)CC1 ZINC000134951475 401921642 /nfs/dbraw/zinc/92/16/42/401921642.db2.gz WZBMTMCFGCZTIK-ZDUSSCGKSA-N 1 0 302.422 2.092 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)CC/C=C/c2ccccc2)CCO1 ZINC000119051480 401921914 /nfs/dbraw/zinc/92/19/14/401921914.db2.gz BSSOSNQIKOOPCX-BHMZLHOFSA-N 1 0 302.418 2.269 10 0 DEAERO C[C@](CO)([NH2+]C[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000038114608 401922842 /nfs/dbraw/zinc/92/28/42/401922842.db2.gz ORHDUHOOOVTKFM-UONOGXRCSA-N 1 0 314.223 2.425 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)CSc1nncs1)c1ccccc1 ZINC000048274664 401997355 /nfs/dbraw/zinc/99/73/55/401997355.db2.gz OPJWCRJIKSHFRS-LBPRGKRZSA-N 1 0 322.459 2.049 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)CS(C)(=O)=O ZINC000089633703 401954919 /nfs/dbraw/zinc/95/49/19/401954919.db2.gz PBHMBSQAYUZFEA-MNOVXSKESA-N 1 0 301.456 2.030 10 0 DEAERO O=C(c1nc2c(cccc2N2CC[NH2+]CC2)[nH]1)c1ccccc1 ZINC000045255332 401956248 /nfs/dbraw/zinc/95/62/48/401956248.db2.gz FZBMMXWYKQENCZ-UHFFFAOYSA-N 1 0 306.369 2.204 10 0 DEAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000136381074 401966751 /nfs/dbraw/zinc/96/67/51/401966751.db2.gz BGHXTLRGSHJEEH-OCCSQVGLSA-N 1 0 302.418 2.486 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H]1COc2ccccc2C1 ZINC000046279815 401968283 /nfs/dbraw/zinc/96/82/83/401968283.db2.gz HTMDTYRKMWXLCY-ZFWWWQNUSA-N 1 0 305.422 2.020 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc2cnccc21 ZINC000047544042 401983367 /nfs/dbraw/zinc/98/33/67/401983367.db2.gz NLPAAUPTWLGZEB-CYBMUJFWSA-N 1 0 321.446 2.243 10 0 DEAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NC(=O)NCc1ccco1 ZINC000120480785 401991556 /nfs/dbraw/zinc/99/15/56/401991556.db2.gz UDFDJGLMTJGHTK-ZDUSSCGKSA-N 1 0 315.373 2.265 10 0 DEAERO CCOc1cccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000048119773 401994374 /nfs/dbraw/zinc/99/43/74/401994374.db2.gz BYJZBWANMXTVBD-HNNXBMFYSA-N 1 0 321.421 2.054 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(C)nc1-c1ccccc1 ZINC000089243235 401939757 /nfs/dbraw/zinc/93/97/57/401939757.db2.gz UOQOAMLEGYOXGT-GDBMZVCRSA-N 1 0 324.428 2.396 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NCCOC2CCCC2)CC1 ZINC000119361565 401944720 /nfs/dbraw/zinc/94/47/20/401944720.db2.gz KPFZWIKMNQBIBE-UHFFFAOYSA-N 1 0 311.470 2.365 10 0 DEAERO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000119443347 401950520 /nfs/dbraw/zinc/95/05/20/401950520.db2.gz XUJVEESBQJTKPU-GFCCVEGCSA-N 1 0 314.476 2.128 10 0 DEAERO Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)COC(C)(C)C)C2)n1 ZINC000151111159 402017016 /nfs/dbraw/zinc/01/70/16/402017016.db2.gz XQUQOJNQFWHDFW-HOTGVXAUSA-N 1 0 321.465 2.300 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1nc(C)c(C)s1 ZINC000151161353 402020799 /nfs/dbraw/zinc/02/07/99/402020799.db2.gz GFXIHAPHXAWQMD-AWEZNQCLSA-N 1 0 324.494 2.428 10 0 DEAERO CCC(C)(CC)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000121224505 402021642 /nfs/dbraw/zinc/02/16/42/402021642.db2.gz BSIHLNKDBGNGFQ-CQSZACIVSA-N 1 0 311.470 2.365 10 0 DEAERO Cc1cc(C)n2c(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)cnc2n1 ZINC000121227981 402021759 /nfs/dbraw/zinc/02/17/59/402021759.db2.gz UTVZJTBVCSYLDH-CQSZACIVSA-N 1 0 310.405 2.449 10 0 DEAERO CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000121252203 402023615 /nfs/dbraw/zinc/02/36/15/402023615.db2.gz PDZDGOSGFZRYER-GFCCVEGCSA-N 1 0 309.797 2.075 10 0 DEAERO O=[S@](CC1CC[NH2+]CC1)c1nc2ccccc2nc1Cl ZINC000095069788 402024077 /nfs/dbraw/zinc/02/40/77/402024077.db2.gz FLABPVLUKIVUHA-FQEVSTJZSA-N 1 0 309.822 2.390 10 0 DEAERO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CCOCC1 ZINC000151260737 402026418 /nfs/dbraw/zinc/02/64/18/402026418.db2.gz OWUMXKMEFMJUFF-WBVHZDCISA-N 1 0 323.481 2.461 10 0 DEAERO O=C(NCCc1cscn1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000095427167 402032568 /nfs/dbraw/zinc/03/25/68/402032568.db2.gz VOVDKGMBUYUSOF-OAHLLOKOSA-N 1 0 322.478 2.346 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccn(C3CCCC3)n2)C1 ZINC000151450054 402036480 /nfs/dbraw/zinc/03/64/80/402036480.db2.gz LFPPKLGBFLYWOI-HNNXBMFYSA-N 1 0 319.453 2.282 10 0 DEAERO Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000151480876 402038883 /nfs/dbraw/zinc/03/88/83/402038883.db2.gz BLVMYGAGMYQDJM-DOMZBBRYSA-N 1 0 318.421 2.051 10 0 DEAERO O=C(CC[N@H+]1CCC[C@H]1Cc1cccc(F)c1)N1CCOCC1 ZINC000052035362 402039286 /nfs/dbraw/zinc/03/92/86/402039286.db2.gz VUAGQKZFYMEDFI-KRWDZBQOSA-N 1 0 320.408 2.082 10 0 DEAERO Cc1cc([C@H](C)NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c(C)o1 ZINC000151516940 402041082 /nfs/dbraw/zinc/04/10/82/402041082.db2.gz SSQIHRPSDYZYBW-ZDUSSCGKSA-N 1 0 323.437 2.056 10 0 DEAERO C[C@@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)[NH+]1CCCCCC1 ZINC000151524467 402041662 /nfs/dbraw/zinc/04/16/62/402041662.db2.gz WBFGLVOAWABVOM-RDJZCZTQSA-N 1 0 317.433 2.326 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2ccccc2OC)C1 ZINC000052592783 402044150 /nfs/dbraw/zinc/04/41/50/402044150.db2.gz AKDMHBXMMFXWEH-HNNXBMFYSA-N 1 0 305.422 2.321 10 0 DEAERO C[NH+]1CCC(CCNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000151686081 402050886 /nfs/dbraw/zinc/05/08/86/402050886.db2.gz KZABHZYPRPHLGE-FUHWJXTLSA-N 1 0 323.481 2.055 10 0 DEAERO CCOC(=O)c1cnc2c(C)c(C)ccc2c1N1CC[NH2+]CC1 ZINC000053994919 402061032 /nfs/dbraw/zinc/06/10/32/402061032.db2.gz QMSGNWYISLIJKK-UHFFFAOYSA-N 1 0 313.401 2.438 10 0 DEAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000151810426 402057922 /nfs/dbraw/zinc/05/79/22/402057922.db2.gz BFKCROYOWKMYDY-XHSDSOJGSA-N 1 0 308.466 2.427 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000092329769 402003832 /nfs/dbraw/zinc/00/38/32/402003832.db2.gz FUQRRJZYHWRYQD-MGPQQGTHSA-N 1 0 305.426 2.129 10 0 DEAERO C[N@H+](CCNC(=O)N1CC[C@H]2OCCC[C@@H]2C1)C1CCCC1 ZINC000150922777 402004951 /nfs/dbraw/zinc/00/49/51/402004951.db2.gz OKFDTSKMXQVKHY-GDBMZVCRSA-N 1 0 309.454 2.071 10 0 DEAERO COC[C@@H](C)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092515702 402005160 /nfs/dbraw/zinc/00/51/60/402005160.db2.gz UJHGUPKWOIPJOY-OAHLLOKOSA-N 1 0 319.449 2.429 10 0 DEAERO Cc1n[nH]cc1C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000092849186 402009965 /nfs/dbraw/zinc/00/99/65/402009965.db2.gz LNWUQYOBIKBAIO-GDBMZVCRSA-N 1 0 318.808 2.433 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000055295394 402079659 /nfs/dbraw/zinc/07/96/59/402079659.db2.gz HSZREFNVBMBDEJ-CQSZACIVSA-N 1 0 324.471 2.199 10 0 DEAERO Cc1cccc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000056788716 402090561 /nfs/dbraw/zinc/09/05/61/402090561.db2.gz UAAFGNAMTJBWKE-DZGCQCFKSA-N 1 0 304.438 2.310 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC(C)(C)CO ZINC000122746811 402092827 /nfs/dbraw/zinc/09/28/27/402092827.db2.gz OFUWMHIXVHGSCM-LSDHHAIUSA-N 1 0 311.470 2.053 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCOc2ccc(F)cc2)C1 ZINC000057870218 402097239 /nfs/dbraw/zinc/09/72/39/402097239.db2.gz ACUONRRHIJDMQB-OAHLLOKOSA-N 1 0 323.412 2.330 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCOc2ccc(F)cc2)C1 ZINC000057870216 402097510 /nfs/dbraw/zinc/09/75/10/402097510.db2.gz ACUONRRHIJDMQB-HNNXBMFYSA-N 1 0 323.412 2.330 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000152489983 402097804 /nfs/dbraw/zinc/09/78/04/402097804.db2.gz LGFXTWCLEOZJDP-UHFFFAOYSA-N 1 0 321.396 2.314 10 0 DEAERO CCCOc1ncccc1CNC(=O)NC[C@H](C)[NH+](CC)CC ZINC000064766758 402121283 /nfs/dbraw/zinc/12/12/83/402121283.db2.gz PPJJYZJKBFETRM-AWEZNQCLSA-N 1 0 322.453 2.400 10 0 DEAERO CCn1cc(C2CCN(C(=O)C[N@H+](CC)C3CC3)CC2)cn1 ZINC000152834668 402111658 /nfs/dbraw/zinc/11/16/58/402111658.db2.gz JYTONLKXYAZEJA-UHFFFAOYSA-N 1 0 304.438 2.093 10 0 DEAERO O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)NCC(F)(F)F ZINC000152921527 402117079 /nfs/dbraw/zinc/11/70/79/402117079.db2.gz AUFAZBVSXLYKBO-LBPRGKRZSA-N 1 0 308.344 2.089 10 0 DEAERO O=S(=O)(NCC1=CC[NH2+]CC1)c1cccc2ccccc21 ZINC000122208027 402066896 /nfs/dbraw/zinc/06/68/96/402066896.db2.gz KNKQOARDMOTVLN-UHFFFAOYSA-N 1 0 302.399 2.038 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cn(C)nc1-c1ccncc1 ZINC000123439892 402128192 /nfs/dbraw/zinc/12/81/92/402128192.db2.gz NIIISXSCZUCZKM-KRWDZBQOSA-N 1 0 313.449 2.398 10 0 DEAERO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cccc2ncccc21 ZINC000123463249 402129246 /nfs/dbraw/zinc/12/92/46/402129246.db2.gz JBSIWNTTWKBAIF-UHFFFAOYSA-N 1 0 321.446 2.196 10 0 DEAERO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1N(C)C)N1CCOCC1 ZINC000123468992 402129410 /nfs/dbraw/zinc/12/94/10/402129410.db2.gz YNSMASNFZLCMQJ-ZIAGYGMSSA-N 1 0 309.429 2.263 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)OC[C@@H]1CCCCO1 ZINC000066338125 402130935 /nfs/dbraw/zinc/13/09/35/402130935.db2.gz HFRLDXHXHXIIFG-XHSDSOJGSA-N 1 0 314.470 2.053 10 0 DEAERO COCCC[N@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000066378808 402132432 /nfs/dbraw/zinc/13/24/32/402132432.db2.gz DKXRYMKLOIJVNL-ZDUSSCGKSA-N 1 0 308.447 2.482 10 0 DEAERO Cc1nc(C)c(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)s1 ZINC000123665575 402140813 /nfs/dbraw/zinc/14/08/13/402140813.db2.gz ZKZZIPOYKQMMMF-CYBMUJFWSA-N 1 0 303.435 2.309 10 0 DEAERO CCc1ccc(C(=O)N2CC[NH+](C[C@](C)(O)CC)CC2)cc1 ZINC000123366190 402123977 /nfs/dbraw/zinc/12/39/77/402123977.db2.gz XCYGIORAJFEPCH-GOSISDBHSA-N 1 0 304.434 2.168 10 0 DEAERO CC(=O)c1cccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123739235 402144038 /nfs/dbraw/zinc/14/40/38/402144038.db2.gz VUKOWZNVTKPNFD-GUYCJALGSA-N 1 0 317.433 2.242 10 0 DEAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000101563978 402148943 /nfs/dbraw/zinc/14/89/43/402148943.db2.gz OWRRYRNRBIHABF-INIZCTEOSA-N 1 0 318.417 2.354 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000123842404 402149851 /nfs/dbraw/zinc/14/98/51/402149851.db2.gz PNPQWLPAUKTGNM-KSZLIROESA-N 1 0 316.445 2.233 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000123941360 402155469 /nfs/dbraw/zinc/15/54/69/402155469.db2.gz BITYTFXOQZILDK-YPMHNXCESA-N 1 0 311.376 2.318 10 0 DEAERO CCC(O)(CC)CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000124908820 402203342 /nfs/dbraw/zinc/20/33/42/402203342.db2.gz XPZALJFJVDFPIG-MRXNPFEDSA-N 1 0 321.465 2.010 10 0 DEAERO O=C([C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)N1CCOCC1 ZINC000124517355 402184006 /nfs/dbraw/zinc/18/40/06/402184006.db2.gz WKINSALRUPNUHU-ZDUSSCGKSA-N 1 0 324.371 2.036 10 0 DEAERO CCc1nn(C)c(Cl)c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154015930 402186946 /nfs/dbraw/zinc/18/69/46/402186946.db2.gz QLWQSCXSEYHOMN-MNOVXSKESA-N 1 0 312.845 2.191 10 0 DEAERO COC[C@@H](C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000103432971 402187846 /nfs/dbraw/zinc/18/78/46/402187846.db2.gz NOWAVZUOCDZFJI-CYBMUJFWSA-N 1 0 310.463 2.359 10 0 DEAERO Cc1ccc([C@@H]2CCCC[N@@H+]2CCN2C(=O)NC(C)(C)C2=O)o1 ZINC000124751025 402195439 /nfs/dbraw/zinc/19/54/39/402195439.db2.gz MFNMLADVYPSABU-ZDUSSCGKSA-N 1 0 319.405 2.445 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2sccc2Br)C1 ZINC000104188509 402200414 /nfs/dbraw/zinc/20/04/14/402200414.db2.gz RDCVXHIJGOWZGR-QMMMGPOBSA-N 1 0 303.225 2.287 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)NCc2cccc(OC)n2)CC1 ZINC000102013939 402161434 /nfs/dbraw/zinc/16/14/34/402161434.db2.gz AVCPXFLFKXJYFD-UHFFFAOYSA-N 1 0 320.437 2.154 10 0 DEAERO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)C1CCOCC1 ZINC000153694528 402163762 /nfs/dbraw/zinc/16/37/62/402163762.db2.gz ZHYOVDNLDITURX-HZPDHXFCSA-N 1 0 308.466 2.384 10 0 DEAERO CCC[C@@H](C(=O)N1CCC(c2nncn2C2CC2)CC1)[NH+](C)C ZINC000153822153 402172561 /nfs/dbraw/zinc/17/25/61/402172561.db2.gz XYYHQICFRXCVLM-HNNXBMFYSA-N 1 0 319.453 2.049 10 0 DEAERO FC(F)Oc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000106380093 402213166 /nfs/dbraw/zinc/21/31/66/402213166.db2.gz BUSUEZSAKPZAKX-OAHLLOKOSA-N 1 0 312.360 2.241 10 0 DEAERO CN(CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125161138 402216652 /nfs/dbraw/zinc/21/66/52/402216652.db2.gz MEAQRIBBLMIZCF-DOTOQJQBSA-N 1 0 301.434 2.208 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106905641 402221101 /nfs/dbraw/zinc/22/11/01/402221101.db2.gz WIUKIYKPHOTIGD-WMZOPIPTSA-N 1 0 317.477 2.150 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2noc3c2CCCC3)C[C@@H]1C ZINC000108867443 402263938 /nfs/dbraw/zinc/26/39/38/402263938.db2.gz HTDSAXRWAKPCDA-AWEZNQCLSA-N 1 0 307.438 2.096 10 0 DEAERO CCCOc1cccc(CCNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000154785654 402231988 /nfs/dbraw/zinc/23/19/88/402231988.db2.gz UARPGLZBZGJHCI-INIZCTEOSA-N 1 0 319.449 2.363 10 0 DEAERO COc1cccc2c1CC[C@H]2NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000154794419 402232385 /nfs/dbraw/zinc/23/23/85/402232385.db2.gz NRQRLUQWBOVESR-SWLSCSKDSA-N 1 0 303.406 2.028 10 0 DEAERO Cc1cc(C)n2c(C[NH2+]C[C@H](c3ccco3)N(C)C)cnc2n1 ZINC000155645986 402264375 /nfs/dbraw/zinc/26/43/75/402264375.db2.gz NDKSCEKIJUKQLO-OAHLLOKOSA-N 1 0 313.405 2.332 10 0 DEAERO Cc1nn(C)cc1[C@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000069773791 402243967 /nfs/dbraw/zinc/24/39/67/402243967.db2.gz IDKJTERATUXEEY-GXTWGEPZSA-N 1 0 309.458 2.065 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2cn(C)nc2C)CC1 ZINC000069823955 402246265 /nfs/dbraw/zinc/24/62/65/402246265.db2.gz XWBWDENILKTODS-CYBMUJFWSA-N 1 0 321.469 2.211 10 0 DEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@]1(CCO)CCOC1 ZINC000125759407 402248709 /nfs/dbraw/zinc/24/87/09/402248709.db2.gz JMZTYTGZMLQITG-QZTJIDSGSA-N 1 0 305.418 2.451 10 0 DEAERO C[C@H]1OCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[C@@H]1C ZINC000125876661 402254980 /nfs/dbraw/zinc/25/49/80/402254980.db2.gz KMJZVWCXJBYBLI-CHWSQXEVSA-N 1 0 323.412 2.206 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CCCC1 ZINC000070306964 402259554 /nfs/dbraw/zinc/25/95/54/402259554.db2.gz JHFOPYFNAOHWKT-WBMJQRKESA-N 1 0 311.447 2.292 10 0 DEAERO [NH3+]C1CCN(c2cc(-c3nc(-c4ccccn4)no3)ccn2)CC1 ZINC000070458211 402260945 /nfs/dbraw/zinc/26/09/45/402260945.db2.gz LPBABESIGXDPPC-UHFFFAOYSA-N 1 0 322.372 2.121 10 0 DEAERO COc1ccc(OC)c(-c2ccc(N3CCC[C@H]([NH3+])C3)nn2)c1 ZINC000070458947 402261322 /nfs/dbraw/zinc/26/13/22/402261322.db2.gz LGDFSIPKIMAGMF-LBPRGKRZSA-N 1 0 314.389 2.088 10 0 DEAERO Cn1cc([C@@H]2CCCN2C(=O)NCC[N@H+](C)C2CCCC2)cn1 ZINC000104805444 402205302 /nfs/dbraw/zinc/20/53/02/402205302.db2.gz KIYXYQFMFCMCGC-INIZCTEOSA-N 1 0 319.453 2.141 10 0 DEAERO CCCNC(=O)CCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000104825678 402205512 /nfs/dbraw/zinc/20/55/12/402205512.db2.gz YDSPKBQNGVFUOF-MRXNPFEDSA-N 1 0 319.449 2.102 10 0 DEAERO Cc1ccc(N2CC[NH+](CCC(=O)NC(C)C)CC2)cc1C ZINC000126157223 402267249 /nfs/dbraw/zinc/26/72/49/402267249.db2.gz GPEIJAGPPFOIAS-UHFFFAOYSA-N 1 0 303.450 2.340 10 0 DEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CCc1nnc(C2CCCC2)o1 ZINC000155800018 402267668 /nfs/dbraw/zinc/26/76/68/402267668.db2.gz YXJAJCHQYOFYEV-CHWSQXEVSA-N 1 0 320.437 2.211 10 0 DEAERO CCC1(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC1 ZINC000176091184 402277916 /nfs/dbraw/zinc/27/79/16/402277916.db2.gz OKNAKDQWOQLECU-AWEZNQCLSA-N 1 0 309.454 2.119 10 0 DEAERO COCC[C@@H](C)[NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000176108335 402279797 /nfs/dbraw/zinc/27/97/97/402279797.db2.gz TYYJCSRTMAJYQC-HIFRSBDPSA-N 1 0 312.479 2.444 10 0 DEAERO CCC[C@@H](CCO)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000176172057 402286854 /nfs/dbraw/zinc/28/68/54/402286854.db2.gz HXKNZDKUTLQEBR-IRXDYDNUSA-N 1 0 306.450 2.074 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000156674300 402287117 /nfs/dbraw/zinc/28/71/17/402287117.db2.gz WBVQSIIJVZZWLJ-KRWDZBQOSA-N 1 0 318.465 2.389 10 0 DEAERO COc1cc(CN2CC[N@H+](C)C[C@@H]2C(C)C)cc2c1OCCO2 ZINC000184737263 402296138 /nfs/dbraw/zinc/29/61/38/402296138.db2.gz GKUCSQMVNKZNEP-OAHLLOKOSA-N 1 0 320.433 2.238 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc2c1OCCO2 ZINC000176316000 402298782 /nfs/dbraw/zinc/29/87/82/402298782.db2.gz XCIKFOZZBQPSHG-ZDUSSCGKSA-N 1 0 319.405 2.406 10 0 DEAERO CCOC[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000176337537 402300912 /nfs/dbraw/zinc/30/09/12/402300912.db2.gz FIPLUHWCNWXFBB-STQMWFEESA-N 1 0 322.371 2.146 10 0 DEAERO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000184824685 402301815 /nfs/dbraw/zinc/30/18/15/402301815.db2.gz LBYLWUBRBAEKFU-HOTGVXAUSA-N 1 0 316.380 2.145 10 0 DEAERO CN(CC[NH+](C)C)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000176388289 402304986 /nfs/dbraw/zinc/30/49/86/402304986.db2.gz ODVAQYAMVZBSBF-UHFFFAOYSA-N 1 0 314.389 2.248 10 0 DEAERO Fc1cc(C[NH2+][C@H]2CCCSC2)cnc1N1CCOCC1 ZINC000184948851 402311918 /nfs/dbraw/zinc/31/19/18/402311918.db2.gz IXNZKGXYDWOVSE-ZDUSSCGKSA-N 1 0 311.426 2.043 10 0 DEAERO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000176464052 402312307 /nfs/dbraw/zinc/31/23/07/402312307.db2.gz NRRZFULLJIIWEE-YQQAZPJKSA-N 1 0 319.449 2.151 10 0 DEAERO C[C@@H](CCn1cccn1)[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000158845434 402313365 /nfs/dbraw/zinc/31/33/65/402313365.db2.gz KIBGTIHIMPESIE-RDJZCZTQSA-N 1 0 312.417 2.447 10 0 DEAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCCN1C ZINC000226012021 402326060 /nfs/dbraw/zinc/32/60/60/402326060.db2.gz KHNIQSYRDROYBK-GJZGRUSLSA-N 1 0 313.486 2.467 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2COc3ccccc32)C1 ZINC000158923011 402314447 /nfs/dbraw/zinc/31/44/47/402314447.db2.gz QRCYTCRSVMTBMB-VHDGCEQUSA-N 1 0 303.406 2.148 10 0 DEAERO Cc1cc(C)c(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000176547350 402318365 /nfs/dbraw/zinc/31/83/65/402318365.db2.gz KZBAQODTCOGNPT-MRXNPFEDSA-N 1 0 319.449 2.139 10 0 DEAERO Cc1ccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000176875448 402345117 /nfs/dbraw/zinc/34/51/17/402345117.db2.gz FNZCRAFJKUUCEA-HNNXBMFYSA-N 1 0 304.434 2.160 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)ccc1C ZINC000176889079 402346833 /nfs/dbraw/zinc/34/68/33/402346833.db2.gz LKAMDYHNRBTKGF-OAHLLOKOSA-N 1 0 317.433 2.185 10 0 DEAERO Cc1c(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000230166645 402348545 /nfs/dbraw/zinc/34/85/45/402348545.db2.gz GIBVCMBQYGPRRY-CYBMUJFWSA-N 1 0 308.426 2.075 10 0 DEAERO CC(C)c1nnc(CCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000176918954 402350419 /nfs/dbraw/zinc/35/04/19/402350419.db2.gz KVHKWFVQDIQJQO-AGUYFDCRSA-N 1 0 320.437 2.257 10 0 DEAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1O)CCCC2 ZINC000185425252 402351563 /nfs/dbraw/zinc/35/15/63/402351563.db2.gz MCHQKOLFIMWONF-ZDUSSCGKSA-N 1 0 314.429 2.485 10 0 DEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccoc1Br ZINC000234360648 402359682 /nfs/dbraw/zinc/35/96/82/402359682.db2.gz CDCLOYMFLYQQQB-VIFPVBQESA-N 1 0 301.184 2.066 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnc2ccccc2c1O ZINC000177030612 402361325 /nfs/dbraw/zinc/36/13/25/402361325.db2.gz BPJCPORHSGWTPT-ZDUSSCGKSA-N 1 0 313.401 2.084 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2ncon2)cc1 ZINC000177032966 402361705 /nfs/dbraw/zinc/36/17/05/402361705.db2.gz LHMPNRNRSWQTSZ-OAHLLOKOSA-N 1 0 314.389 2.293 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc3nccn32)C12CCOCC2 ZINC000185670455 402368281 /nfs/dbraw/zinc/36/82/81/402368281.db2.gz CSLFGWRXXMDSSV-JKSUJKDBSA-N 1 0 315.417 2.398 10 0 DEAERO O=C1CCCN1CCC[NH2+]Cc1ccc(Br)o1 ZINC000236612393 402368353 /nfs/dbraw/zinc/36/83/53/402368353.db2.gz FWOLGROXYXFEGT-UHFFFAOYSA-N 1 0 301.184 2.144 10 0 DEAERO CC(=O)Nc1cccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000177106534 402370662 /nfs/dbraw/zinc/37/06/62/402370662.db2.gz CLHDNXFIMJZCBZ-MLGOLLRUSA-N 1 0 316.405 2.345 10 0 DEAERO CCC[C@H](C)C[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000185153318 402328690 /nfs/dbraw/zinc/32/86/90/402328690.db2.gz GWGBIOLNEXQLIF-WMZOPIPTSA-N 1 0 318.461 2.482 10 0 DEAERO Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCO[C@]3(CCOC3)C2)c1 ZINC000185174585 402330467 /nfs/dbraw/zinc/33/04/67/402330467.db2.gz RREZZLFGJOUMHF-CRAIPNDOSA-N 1 0 318.417 2.122 10 0 DEAERO COC(=O)c1sc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)nc1Cl ZINC000227475120 402332337 /nfs/dbraw/zinc/33/23/37/402332337.db2.gz BEKPCNIKTFUELD-IUCAKERBSA-N 1 0 315.826 2.256 10 0 DEAERO COC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000228639284 402339338 /nfs/dbraw/zinc/33/93/38/402339338.db2.gz DWUVXAKCJLTNJU-ZANVPECISA-N 1 0 316.195 2.024 10 0 DEAERO CN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)C1CC[NH2+]CC1 ZINC000237115961 402395292 /nfs/dbraw/zinc/39/52/92/402395292.db2.gz VANVBMVSYQQLMQ-UHFFFAOYSA-N 1 0 318.808 2.350 10 0 DEAERO C[NH2+]C1CCN(C(=O)Cc2csc(-c3ccc(C)o3)n2)CC1 ZINC000237116822 402395615 /nfs/dbraw/zinc/39/56/15/402395615.db2.gz JBDCXWZJABKHER-UHFFFAOYSA-N 1 0 319.430 2.464 10 0 DEAERO COc1c(C)cc(CN(C)C(=O)C[C@H]2CSCC[NH2+]2)cc1C ZINC000237127294 402396108 /nfs/dbraw/zinc/39/61/08/402396108.db2.gz TYTVKRVYLHWBFC-HNNXBMFYSA-N 1 0 322.474 2.366 10 0 DEAERO C[NH2+]CCCC(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000237121790 402396328 /nfs/dbraw/zinc/39/63/28/402396328.db2.gz HHDLVIVPNKFFFR-UHFFFAOYSA-N 1 0 306.406 2.194 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc2c1OCO2 ZINC000177384267 402396635 /nfs/dbraw/zinc/39/66/35/402396635.db2.gz CRXTVFHNXZFSLW-AWEZNQCLSA-N 1 0 319.405 2.041 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)CCc2cccc3c2OCO3)CC[N@@H+]1C ZINC000186041727 402398278 /nfs/dbraw/zinc/39/82/78/402398278.db2.gz RNCQYEVDOUHACE-UKRRQHHQSA-N 1 0 318.417 2.289 10 0 DEAERO CCc1cccc(CC)c1NC(=O)C[NH2+][C@](C)(CCO)COC ZINC000177406646 402399143 /nfs/dbraw/zinc/39/91/43/402399143.db2.gz MBRLGVRNCBIRKP-GOSISDBHSA-N 1 0 322.449 2.127 10 0 DEAERO C[C@@H](c1ccccc1Cl)N1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000237471362 402408707 /nfs/dbraw/zinc/40/87/07/402408707.db2.gz VQCMCJRTIDZNDD-LBPRGKRZSA-N 1 0 309.841 2.283 10 0 DEAERO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1nc(C(C)(C)C)no1 ZINC000237473385 402409632 /nfs/dbraw/zinc/40/96/32/402409632.db2.gz MXYLARGCBSSQPA-CYDGBPFRSA-N 1 0 320.437 2.465 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C3CC3)CC2)C12CCOCC2 ZINC000186220447 402411964 /nfs/dbraw/zinc/41/19/64/402411964.db2.gz KGWONEBAEQDKCS-SJORKVTESA-N 1 0 308.466 2.177 10 0 DEAERO CCSCc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)no1 ZINC000186220964 402412014 /nfs/dbraw/zinc/41/20/14/402412014.db2.gz BZEMQAUZVXTIMJ-LBPRGKRZSA-N 1 0 311.451 2.484 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000186232990 402413031 /nfs/dbraw/zinc/41/30/31/402413031.db2.gz BQRQQDJSBBYFLF-ZACQAIPSSA-N 1 0 323.481 2.460 10 0 DEAERO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1CCCOC1 ZINC000177530513 402413433 /nfs/dbraw/zinc/41/34/33/402413433.db2.gz JUOHGCMWHVIKIU-HNNXBMFYSA-N 1 0 309.454 2.262 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]CCCc2c[nH]nc2C)C12CCOCC2 ZINC000186234852 402414098 /nfs/dbraw/zinc/41/40/98/402414098.db2.gz AYOLPMHTWUHWAI-JKSUJKDBSA-N 1 0 307.438 2.215 10 0 DEAERO C[C@H](NC(=O)c1ccc(C[NH3+])cc1)c1nc(C(C)(C)C)no1 ZINC000237605829 402414843 /nfs/dbraw/zinc/41/48/43/402414843.db2.gz IDUHOVNINKZYET-JTQLQIEISA-N 1 0 302.378 2.317 10 0 DEAERO Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2)n1 ZINC000237660565 402417069 /nfs/dbraw/zinc/41/70/69/402417069.db2.gz ZDSCTNFONNQRCY-KRWDZBQOSA-N 1 0 312.417 2.112 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2)C12CCOCC2 ZINC000186341219 402422819 /nfs/dbraw/zinc/42/28/19/402422819.db2.gz JNLJITDDJNDKLH-BRWVUGGUSA-N 1 0 305.418 2.284 10 0 DEAERO Cc1cc2c(cc1C)O[C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)C2 ZINC000237899568 402425277 /nfs/dbraw/zinc/42/52/77/402425277.db2.gz XBGUTNBYGQSSTH-RHSMWYFYSA-N 1 0 302.418 2.113 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000177696213 402427021 /nfs/dbraw/zinc/42/70/21/402427021.db2.gz QPGHGUAIDSLMII-DOTOQJQBSA-N 1 0 309.498 2.488 10 0 DEAERO Cc1cc(C)cc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000177693473 402427080 /nfs/dbraw/zinc/42/70/80/402427080.db2.gz USDMBYWKZFPUHC-RDJZCZTQSA-N 1 0 317.433 2.488 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2cccc(Cn3cccn3)c2)C1 ZINC000238018302 402432040 /nfs/dbraw/zinc/43/20/40/402432040.db2.gz DQFTUFNFPNJAAX-SJORKVTESA-N 1 0 312.417 2.065 10 0 DEAERO O=C(C[C@H]1CSCC[NH2+]1)NCCCCOCc1ccccc1 ZINC000238086107 402437090 /nfs/dbraw/zinc/43/70/90/402437090.db2.gz ZPGWSEAREWJKMR-INIZCTEOSA-N 1 0 322.474 2.195 10 0 DEAERO O=C(c1ccc(N2CCCC2)nc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186539379 402439973 /nfs/dbraw/zinc/43/99/73/402439973.db2.gz 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DEAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCOCCc2ccccc2)C1 ZINC000170865170 402535241 /nfs/dbraw/zinc/53/52/41/402535241.db2.gz YDRJSFAJJJCPJI-QGZVFWFLSA-N 1 0 304.434 2.188 10 0 DEAERO Cc1cc(CCNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc(C)c1O ZINC000189361914 402535408 /nfs/dbraw/zinc/53/54/08/402535408.db2.gz OOMPEIVRBVOZPV-CQSZACIVSA-N 1 0 319.449 2.333 10 0 DEAERO CN1CCO[C@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000246584318 402537454 /nfs/dbraw/zinc/53/74/54/402537454.db2.gz YXKDMAKHPKXQCT-DOMZBBRYSA-N 1 0 310.825 2.474 10 0 DEAERO CCCCSCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000246681344 402540262 /nfs/dbraw/zinc/54/02/62/402540262.db2.gz AXYBFZYODHAYRQ-LSDHHAIUSA-N 1 0 316.511 2.213 10 0 DEAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCc1ccccn1 ZINC000179185022 402579007 /nfs/dbraw/zinc/57/90/07/402579007.db2.gz KAGUVIIPBBFHAV-HZPDHXFCSA-N 1 0 318.465 2.434 10 0 DEAERO COCc1ccc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190149841 402579297 /nfs/dbraw/zinc/57/92/97/402579297.db2.gz JXLNUELCNWGDSR-JKSUJKDBSA-N 1 0 317.389 2.486 10 0 DEAERO C[N@H+](Cc1cnn2ccccc12)[C@H]1CCCN(c2cccnn2)C1 ZINC000179496730 402591943 /nfs/dbraw/zinc/59/19/43/402591943.db2.gz GAIYROZJRKUBIB-INIZCTEOSA-N 1 0 322.416 2.225 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cnn(C(C)C)c2)C[C@@H]1CC ZINC000179513556 402593190 /nfs/dbraw/zinc/59/31/90/402593190.db2.gz XJSUEETVYPORLI-KRWDZBQOSA-N 1 0 308.470 2.397 10 0 DEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cnn4ccccc34)C2)n1 ZINC000179530865 402593523 /nfs/dbraw/zinc/59/35/23/402593523.db2.gz LONRWUCRQQGIPL-INIZCTEOSA-N 1 0 324.432 2.455 10 0 DEAERO CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H]3CCCC[C@@H]32)C1=O ZINC000171561386 402594551 /nfs/dbraw/zinc/59/45/51/402594551.db2.gz JAVMEGWMFZOYKZ-KGLIPLIRSA-N 1 0 307.438 2.362 10 0 DEAERO COCCOc1cccc(CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000179728831 402598861 /nfs/dbraw/zinc/59/88/61/402598861.db2.gz JHDDMIOUARAEBJ-UHFFFAOYSA-N 1 0 304.434 2.382 10 0 DEAERO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCCOC2)CC1 ZINC000171616708 402602236 /nfs/dbraw/zinc/60/22/36/402602236.db2.gz BSLIHNFXSDNCND-AWEZNQCLSA-N 1 0 321.421 2.064 10 0 DEAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000190473349 402603404 /nfs/dbraw/zinc/60/34/04/402603404.db2.gz HNQBJVXCJQHORQ-SFHVURJKSA-N 1 0 303.450 2.262 10 0 DEAERO O=C(CCN1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccccc1Cl ZINC000171639116 402604456 /nfs/dbraw/zinc/60/44/56/402604456.db2.gz OYRQSTMPZLPAJZ-CYBMUJFWSA-N 1 0 307.825 2.449 10 0 DEAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2cncs2)C1 ZINC000190488580 402604977 /nfs/dbraw/zinc/60/49/77/402604977.db2.gz NLELJTMFBQHGDJ-HNNXBMFYSA-N 1 0 302.447 2.492 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc3c(cc2C)OCO3)C1 ZINC000180088299 402606886 /nfs/dbraw/zinc/60/68/86/402606886.db2.gz AYYHRDAEZBYMKK-GFCCVEGCSA-N 1 0 305.378 2.330 10 0 DEAERO Cn1cc([C@H]2CC[N@@H+]([C@H]3CCc4ccccc4NC3=O)C2)cn1 ZINC000248826346 402609808 /nfs/dbraw/zinc/60/98/08/402609808.db2.gz GXTQKGWOKYSERA-YOEHRIQHSA-N 1 0 310.401 2.163 10 0 DEAERO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCOC[C@H]2C)c1 ZINC000248836864 402610662 /nfs/dbraw/zinc/61/06/62/402610662.db2.gz DLUBAKQGPDRBTH-PBHICJAKSA-N 1 0 304.434 2.427 10 0 DEAERO CC(C)COC1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000171695553 402611457 /nfs/dbraw/zinc/61/14/57/402611457.db2.gz FTLRCXATPHBRJV-AWEZNQCLSA-N 1 0 311.470 2.316 10 0 DEAERO COc1ccc(OCCC[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171703539 402612138 /nfs/dbraw/zinc/61/21/38/402612138.db2.gz IZPPGZYYPRSKAD-HNNXBMFYSA-N 1 0 316.405 2.393 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000248885250 402612927 /nfs/dbraw/zinc/61/29/27/402612927.db2.gz UJDOOYRWSJCWFL-NXHRZFHOSA-N 1 0 316.445 2.440 10 0 DEAERO C[NH+](C)CC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000180358200 402613920 /nfs/dbraw/zinc/61/39/20/402613920.db2.gz QRTTZQMWZYAASF-CYBMUJFWSA-N 1 0 316.323 2.167 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CN(C(C)C)C[C@@H]2C)C12CCOCC2 ZINC000248908001 402614161 /nfs/dbraw/zinc/61/41/61/402614161.db2.gz BLVFFQZHDYYOHI-LUKYLMHMSA-N 1 0 310.482 2.279 10 0 DEAERO Cc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc(=O)[nH]1 ZINC000180393615 402615008 /nfs/dbraw/zinc/61/50/08/402615008.db2.gz IDBMPXCUMUFEGV-UHFFFAOYSA-N 1 0 303.406 2.044 10 0 DEAERO C[NH+](C)C[C@H]1CN(c2nc(C(F)F)nc3ccccc32)CCO1 ZINC000171727845 402615699 /nfs/dbraw/zinc/61/56/99/402615699.db2.gz RMTRSKVYDAMZMH-NSHDSACASA-N 1 0 322.359 2.334 10 0 DEAERO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(C)OCCCO1 ZINC000190652918 402616535 /nfs/dbraw/zinc/61/65/35/402616535.db2.gz XEGBMNSJQACNHO-CYBMUJFWSA-N 1 0 322.405 2.155 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171744657 402617351 /nfs/dbraw/zinc/61/73/51/402617351.db2.gz SBBYKNCLZKGPIE-GOSISDBHSA-N 1 0 311.433 2.328 10 0 DEAERO O[C@H](CSC[C@H]1CCCO1)C[N@@H+]1CCc2ccccc2C1 ZINC000249013909 402617754 /nfs/dbraw/zinc/61/77/54/402617754.db2.gz JVMBSFIJODCBAX-DLBZAZTESA-N 1 0 307.459 2.318 10 0 DEAERO C[C@@H]1OCCC[C@H]1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000190701219 402619440 /nfs/dbraw/zinc/61/94/40/402619440.db2.gz GABQBQMKBZGCSG-GOEBONIOSA-N 1 0 320.433 2.058 10 0 DEAERO CC(C)N1C[C@H](C)[C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000249085649 402619965 /nfs/dbraw/zinc/61/99/65/402619965.db2.gz ISQWMQNVPLGWMT-GXTWGEPZSA-N 1 0 319.474 2.418 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000249112660 402620615 /nfs/dbraw/zinc/62/06/15/402620615.db2.gz AVMKDGWCMDJIGB-GOEBONIOSA-N 1 0 317.433 2.183 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC(C)(C)OC(C)(C)C2)C1 ZINC000249138736 402621771 /nfs/dbraw/zinc/62/17/71/402621771.db2.gz XIMMHVPPPPOPTN-ZIAGYGMSSA-N 1 0 311.470 2.314 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)c1 ZINC000249153360 402622524 /nfs/dbraw/zinc/62/25/24/402622524.db2.gz HSYKRWWVGPVSNM-QWHCGFSZSA-N 1 0 321.396 2.014 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NCc1cn(C(C)(C)C)nn1 ZINC000190840442 402626454 /nfs/dbraw/zinc/62/64/54/402626454.db2.gz IMMKUJUPBQEMCJ-MRXNPFEDSA-N 1 0 315.465 2.296 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCC[C@H]1CCO)c1ccccc1 ZINC000249478194 402630824 /nfs/dbraw/zinc/63/08/24/402630824.db2.gz AMLOAFZLZYTBKI-BBWFWOEESA-N 1 0 319.449 2.140 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nccc(OC)c1OC ZINC000190909578 402630972 /nfs/dbraw/zinc/63/09/72/402630972.db2.gz HKOBBROTSNNUOC-UONOGXRCSA-N 1 0 305.422 2.157 10 0 DEAERO C[N@H+](C[C@@H](O)CN1CCCC1=O)CC12CC3CC(CC(C3)C1)C2 ZINC000171883067 402631803 /nfs/dbraw/zinc/63/18/03/402631803.db2.gz MVKNSOOZWPOVIL-YMVOSSCXSA-N 1 0 320.477 2.118 10 0 DEAERO CCOc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000171890359 402631978 /nfs/dbraw/zinc/63/19/78/402631978.db2.gz SODQBIDQWZDDTM-AWEZNQCLSA-N 1 0 319.405 2.406 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000249503338 402631999 /nfs/dbraw/zinc/63/19/99/402631999.db2.gz DCOOXIFDLXQVOV-JZWPEALZSA-N 1 0 306.450 2.372 10 0 DEAERO Cc1csc(CCCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000171906861 402632370 /nfs/dbraw/zinc/63/23/70/402632370.db2.gz IUQFGNNJUYCGRQ-AWEZNQCLSA-N 1 0 322.478 2.264 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CC1CCCCC1 ZINC000171908336 402633038 /nfs/dbraw/zinc/63/30/38/402633038.db2.gz DKTVTWMBWFTRFY-INIZCTEOSA-N 1 0 311.470 2.319 10 0 DEAERO Cn1c(CN2CCC[C@@H]2C[NH+]2CCCC2)nnc1C1CCC1 ZINC000181230021 402638471 /nfs/dbraw/zinc/63/84/71/402638471.db2.gz NVYRGVACGLJUEZ-OAHLLOKOSA-N 1 0 303.454 2.143 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Oc2cccc(C(C)=O)c2)C1 ZINC000249843800 402642256 /nfs/dbraw/zinc/64/22/56/402642256.db2.gz ZJLVVOPPFXCEHV-GOEBONIOSA-N 1 0 318.417 2.257 10 0 DEAERO CC(C)[C@H](CNC(=O)N[C@H](C)C1CCCC1)[NH+]1CCN(C)CC1 ZINC000172221603 402645589 /nfs/dbraw/zinc/64/55/89/402645589.db2.gz VGOYJMNWPPWQBR-WBVHZDCISA-N 1 0 324.513 2.136 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 ZINC000293033334 289295460 /nfs/dbraw/zinc/29/54/60/289295460.db2.gz GKCZHESJHZFNPJ-CYBMUJFWSA-N 1 0 315.417 2.083 10 0 DEAERO CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000172243148 402646813 /nfs/dbraw/zinc/64/68/13/402646813.db2.gz UNGOFQDPTRVLKY-SFHVURJKSA-N 1 0 316.445 2.320 10 0 DEAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000191178690 402648760 /nfs/dbraw/zinc/64/87/60/402648760.db2.gz HKZLVUAIWHVJBY-TVFCKZIOSA-N 1 0 317.429 2.254 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@H](O)COc2cc(C)cc(C)c2)CC[C@H]1C ZINC000251649643 402648916 /nfs/dbraw/zinc/64/89/16/402648916.db2.gz HMEGIMIENHEYHW-SOLBZPMBSA-N 1 0 307.434 2.400 10 0 DEAERO Cc1ccc(OC2CC[NH+](C[C@H](O)COCC(C)C)CC2)nc1 ZINC000181543750 402649248 /nfs/dbraw/zinc/64/92/48/402649248.db2.gz FBFMKULDZHYLEB-INIZCTEOSA-N 1 0 322.449 2.267 10 0 DEAERO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347947 402651307 /nfs/dbraw/zinc/65/13/07/402651307.db2.gz HLPMCZUWQILETR-GFCCVEGCSA-N 1 0 323.387 2.462 10 0 DEAERO FC(F)(F)Cn1ccnc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000172347360 402651379 /nfs/dbraw/zinc/65/13/79/402651379.db2.gz LOOYUBAKJWFVGA-UHFFFAOYSA-N 1 0 302.344 2.116 10 0 DEAERO Cc1ccc(CC[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000172414820 402654978 /nfs/dbraw/zinc/65/49/78/402654978.db2.gz PQBJTCBRPOZNRQ-GOSISDBHSA-N 1 0 316.445 2.108 10 0 DEAERO C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CCCC1 ZINC000172466733 402657666 /nfs/dbraw/zinc/65/76/66/402657666.db2.gz JPEJGUOMANVWIA-HNNXBMFYSA-N 1 0 323.481 2.319 10 0 DEAERO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000182608884 402703617 /nfs/dbraw/zinc/70/36/17/402703617.db2.gz DWMHUKLSNMXXBY-OLZOCXBDSA-N 1 0 320.433 2.312 10 0 DEAERO CCOC(=O)C[C@H](C)[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000182666564 402706948 /nfs/dbraw/zinc/70/69/48/402706948.db2.gz BWTXHYGDDJJUPN-ZDUSSCGKSA-N 1 0 302.378 2.041 10 0 DEAERO CCC[C@H](C(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O)[NH+](C)C ZINC000192049178 402707839 /nfs/dbraw/zinc/70/78/39/402707839.db2.gz CVPCLDBAIPKEDZ-SUMDDJOVSA-N 1 0 320.477 2.463 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(Br)c2F)C1 ZINC000192109780 402711775 /nfs/dbraw/zinc/71/17/75/402711775.db2.gz SUQZSSZJCXFMEX-VIFPVBQESA-N 1 0 315.186 2.364 10 0 DEAERO Cc1ccccc1CS(=O)(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000173886114 402716804 /nfs/dbraw/zinc/71/68/04/402716804.db2.gz VALPADTZYZLVQD-GOEBONIOSA-N 1 0 310.463 2.143 10 0 DEAERO C[C@H]1CCC[C@H](C)N1C(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261783850 402716824 /nfs/dbraw/zinc/71/68/24/402716824.db2.gz PPLYBHYAONDCFF-IRXDYDNUSA-N 1 0 317.477 2.279 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)s1 ZINC000173885667 402717193 /nfs/dbraw/zinc/71/71/93/402717193.db2.gz MEZSHUXTXNTXQS-GWCFXTLKSA-N 1 0 316.492 2.372 10 0 DEAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1ccc(Cl)cc1 ZINC000172542789 402661627 /nfs/dbraw/zinc/66/16/27/402661627.db2.gz WMQQLDRYUDJKEE-UHFFFAOYSA-N 1 0 307.825 2.449 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000172543394 402661650 /nfs/dbraw/zinc/66/16/50/402661650.db2.gz UHRRTYZCCFNMHM-WBVHZDCISA-N 1 0 307.482 2.194 10 0 DEAERO CCOCC[N@@H+]1CCN(CCc2scnc2C)C[C@@H]1CC ZINC000172535602 402661897 /nfs/dbraw/zinc/66/18/97/402661897.db2.gz WXSYNYUPVUANTP-HNNXBMFYSA-N 1 0 311.495 2.427 10 0 DEAERO CCNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000182128771 402668139 /nfs/dbraw/zinc/66/81/39/402668139.db2.gz OXJPJKPKKWDOPU-JKSUJKDBSA-N 1 0 303.406 2.292 10 0 DEAERO Cc1nc(C)c(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)s1 ZINC000172802070 402676703 /nfs/dbraw/zinc/67/67/03/402676703.db2.gz ZDBDTICSXVHRTE-OAHLLOKOSA-N 1 0 309.479 2.447 10 0 DEAERO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261922148 402719583 /nfs/dbraw/zinc/71/95/83/402719583.db2.gz KONHEEVMZLBMHR-MSQAHXEGSA-N 1 0 307.438 2.142 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000261940045 402719856 /nfs/dbraw/zinc/71/98/56/402719856.db2.gz UQDLGVYBTCTAEJ-ZAHIEGGZSA-N 1 0 314.429 2.191 10 0 DEAERO C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000172998604 402682552 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CC[C@@H](C)CC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000191810180 402694150 /nfs/dbraw/zinc/69/41/50/402694150.db2.gz NUHKDLXOORKMLK-OAHLLOKOSA-N 1 0 318.465 2.228 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000255676926 402694198 /nfs/dbraw/zinc/69/41/98/402694198.db2.gz NWQRKPJORXOAAO-SBSDFTTDSA-N 1 0 322.836 2.268 10 0 DEAERO Cc1cccc(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000261992981 402720574 /nfs/dbraw/zinc/72/05/74/402720574.db2.gz KMKHIIDHKNZHIO-UHFFFAOYSA-N 1 0 318.442 2.187 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(CCCc2ccccc2OC)CC1 ZINC000182512519 402696296 /nfs/dbraw/zinc/69/62/96/402696296.db2.gz BTMOVCJVVXKMHA-QGZVFWFLSA-N 1 0 306.450 2.016 10 0 DEAERO CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173449139 402697998 /nfs/dbraw/zinc/69/79/98/402697998.db2.gz ZZBRNZAAAXWWNG-HUUCEWRRSA-N 1 0 304.438 2.346 10 0 DEAERO O=C(c1cccc(Br)n1)N1CCC[N@@H+](C2CC2)CC1 ZINC000182604306 402703027 /nfs/dbraw/zinc/70/30/27/402703027.db2.gz AWRMTIGTHCPXIU-UHFFFAOYSA-N 1 0 324.222 2.154 10 0 DEAERO Cc1ccc(N2CC[C@@H]([NH2+][C@H](CO)c3ccccc3)C2=O)cc1 ZINC000182895516 402725299 /nfs/dbraw/zinc/72/52/99/402725299.db2.gz HQIIVABBDSHHLS-QZTJIDSGSA-N 1 0 310.397 2.424 10 0 DEAERO C[C@H](C[NH3+])C(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000262460001 402726255 /nfs/dbraw/zinc/72/62/55/402726255.db2.gz WZKDWDPAOXNIPA-IAQYHMDHSA-N 1 0 318.808 2.273 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC000174102387 402726796 /nfs/dbraw/zinc/72/67/96/402726796.db2.gz XSRDSLYJCJKSMZ-HNNXBMFYSA-N 1 0 306.454 2.299 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C)n1 ZINC000174149859 402729111 /nfs/dbraw/zinc/72/91/11/402729111.db2.gz KZHWYGIVJPWHBJ-JKSUJKDBSA-N 1 0 302.422 2.158 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000262744193 402730242 /nfs/dbraw/zinc/73/02/42/402730242.db2.gz DBYNCUAIDGWPCY-DOMZBBRYSA-N 1 0 310.463 2.260 10 0 DEAERO C[C@@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1cccc(O)c1 ZINC000262812358 402733370 /nfs/dbraw/zinc/73/33/70/402733370.db2.gz QIJKVBGFSKVCGX-TZMCWYRMSA-N 1 0 314.389 2.004 10 0 DEAERO CN1CCC(CNC(=O)NCC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000174302841 402735737 /nfs/dbraw/zinc/73/57/37/402735737.db2.gz AOEIRVOPSACOJL-UHFFFAOYSA-N 1 0 324.513 2.282 10 0 DEAERO CC[N@H+](CC(=O)NC[C@@H]1COC2(CCCCCC2)O1)C1CC1 ZINC000183130855 402741635 /nfs/dbraw/zinc/74/16/35/402741635.db2.gz YAMXGLDWQAAMBP-OAHLLOKOSA-N 1 0 310.438 2.053 10 0 DEAERO Cn1cc(N2CCC[C@H]([NH2+]CC3=Cc4ccccc4OC3)C2)cn1 ZINC000174519461 402745223 /nfs/dbraw/zinc/74/52/23/402745223.db2.gz YRRRHGXJTOJNFV-KRWDZBQOSA-N 1 0 324.428 2.455 10 0 DEAERO COc1c(C)cc(C[N@H+](C)CCN2CCO[C@H](C)C2)cc1C ZINC000192730228 402746656 /nfs/dbraw/zinc/74/66/56/402746656.db2.gz GSTKAQHCFOEGGG-MRXNPFEDSA-N 1 0 306.450 2.465 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(CCc2cc(Cl)cs2)n1 ZINC000263231574 402748145 /nfs/dbraw/zinc/74/81/45/402748145.db2.gz NMGBJPRETYJHHD-NSHDSACASA-N 1 0 312.826 2.146 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(C2C3CC4CC(C3)CC2C4)n1 ZINC000263282472 402753637 /nfs/dbraw/zinc/75/36/37/402753637.db2.gz UNNVUIDPXIFZRF-DUTNFGBUSA-N 1 0 302.422 2.185 10 0 DEAERO C[C@H](Sc1ccccc1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263316186 402758084 /nfs/dbraw/zinc/75/80/84/402758084.db2.gz ZMSIYDIPCOBOJB-WCQYABFASA-N 1 0 304.419 2.499 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000174805783 402758509 /nfs/dbraw/zinc/75/85/09/402758509.db2.gz MRBNXBIBSLTMBW-DOTOQJQBSA-N 1 0 319.449 2.233 10 0 DEAERO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1CCCC1 ZINC000174921922 402763255 /nfs/dbraw/zinc/76/32/55/402763255.db2.gz NSTJDBOLXURPHC-GOEBONIOSA-N 1 0 311.470 2.317 10 0 DEAERO Cn1nnc2ccc(C(=O)N(CC[NH+](C)C)c3ccccc3)cc21 ZINC000183400987 402763790 /nfs/dbraw/zinc/76/37/90/402763790.db2.gz YIRQYFBNJUJKMY-UHFFFAOYSA-N 1 0 323.400 2.177 10 0 DEAERO COC(=O)c1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000175000380 402770132 /nfs/dbraw/zinc/77/01/32/402770132.db2.gz GWXVOZNAQUFPQQ-SWLSCSKDSA-N 1 0 319.405 2.420 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)NCC2(C)CCC2)C[C@@H]1CC ZINC000175003126 402770728 /nfs/dbraw/zinc/77/07/28/402770728.db2.gz HRIUNNNLEVRWQQ-HNNXBMFYSA-N 1 0 311.470 2.319 10 0 DEAERO CCc1nc(Cl)c(C)c(NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000175037717 402773786 /nfs/dbraw/zinc/77/37/86/402773786.db2.gz CCHUZXRPJHULEQ-GFCCVEGCSA-N 1 0 312.845 2.260 10 0 DEAERO CC[NH+](CC)CCSCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000175066156 402775694 /nfs/dbraw/zinc/77/56/94/402775694.db2.gz JJRBDXQYUNTNTP-UHFFFAOYSA-N 1 0 324.494 2.191 10 0 DEAERO Cc1cc2c(cc1C)O[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)C2 ZINC000262192907 402722956 /nfs/dbraw/zinc/72/29/56/402722956.db2.gz ZSZHKRHYNCCPJH-HOTGVXAUSA-N 1 0 302.418 2.193 10 0 DEAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000182897133 402725039 /nfs/dbraw/zinc/72/50/39/402725039.db2.gz VDXGWHGNHBYZMV-YJBOKZPZSA-N 1 0 312.413 2.357 10 0 DEAERO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)N1CCOCC1 ZINC000183707107 402790488 /nfs/dbraw/zinc/79/04/88/402790488.db2.gz RHXSPSWKPOJXLN-INIZCTEOSA-N 1 0 308.809 2.240 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000194368697 402793906 /nfs/dbraw/zinc/79/39/06/402793906.db2.gz UJDOOYRWSJCWFL-NJAFHUGGSA-N 1 0 316.445 2.440 10 0 DEAERO CCCCCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183827814 402800887 /nfs/dbraw/zinc/80/08/87/402800887.db2.gz HBBZXOOHWHCZFQ-MRXNPFEDSA-N 1 0 318.465 2.289 10 0 DEAERO C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)n1cnc2ccccc21 ZINC000194578036 402803599 /nfs/dbraw/zinc/80/35/99/402803599.db2.gz BQCFIPQHUBOEIC-ZDUSSCGKSA-N 1 0 300.406 2.150 10 0 DEAERO C[C@@H](C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000175471996 402809588 /nfs/dbraw/zinc/80/95/88/402809588.db2.gz SFHIFSFJJRUMMK-XGUBFFRZSA-N 1 0 324.465 2.438 10 0 DEAERO CC[N@H+](CCO)CCNC(=O)c1cc2cc(Cl)ccc2o1 ZINC000183983546 402810576 /nfs/dbraw/zinc/81/05/76/402810576.db2.gz SGMSXJHNMPGPHB-UHFFFAOYSA-N 1 0 310.781 2.130 10 0 DEAERO Cc1noc2nc(C(C)C)cc(C(=O)NC[C@@H]3CCC[N@@H+]3C)c12 ZINC000194715190 402812215 /nfs/dbraw/zinc/81/22/15/402812215.db2.gz BEEKUJUOEABAMV-LBPRGKRZSA-N 1 0 316.405 2.479 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000194756478 402815070 /nfs/dbraw/zinc/81/50/70/402815070.db2.gz UNEKBLCJYTWQFR-CQSZACIVSA-N 1 0 306.454 2.440 10 0 DEAERO CCC[C@H]1CN(c2nccnc2OC(C)C)CC[N@@H+]1CCOC ZINC000184143068 402822277 /nfs/dbraw/zinc/82/22/77/402822277.db2.gz SZRVJIJPNGSXIP-HNNXBMFYSA-N 1 0 322.453 2.201 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000194918879 402822830 /nfs/dbraw/zinc/82/28/30/402822830.db2.gz APVDLTCKGWPKTL-QXULXFAOSA-N 1 0 308.466 2.474 10 0 DEAERO CCc1cc(C)c(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)o1 ZINC000184192567 402825485 /nfs/dbraw/zinc/82/54/85/402825485.db2.gz ZLNCCVGGZMFLHX-UHFFFAOYSA-N 1 0 321.465 2.296 10 0 DEAERO COC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000175742613 402828426 /nfs/dbraw/zinc/82/84/26/402828426.db2.gz AUHWZAKUUYQNSA-RDBSUJKOSA-N 1 0 309.410 2.091 10 0 DEAERO COC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000175742597 402828499 /nfs/dbraw/zinc/82/84/99/402828499.db2.gz AUHWZAKUUYQNSA-MJBXVCDLSA-N 1 0 309.410 2.091 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000175761108 402829750 /nfs/dbraw/zinc/82/97/50/402829750.db2.gz GJQRBWIHISEFPM-UHFFFAOYSA-N 1 0 321.469 2.037 10 0 DEAERO CCCCOC[C@H](O)C[NH+]1CCC(Oc2ccc(C)cn2)CC1 ZINC000195210493 402837134 /nfs/dbraw/zinc/83/71/34/402837134.db2.gz NSMRLVHJNPIEKL-MRXNPFEDSA-N 1 0 322.449 2.411 10 0 DEAERO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1nncs1 ZINC000184349336 402837428 /nfs/dbraw/zinc/83/74/28/402837428.db2.gz BARXIRYZXUFGHN-AWEZNQCLSA-N 1 0 316.430 2.413 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)CCc1cscn1)c1ccccc1 ZINC000195242864 402838752 /nfs/dbraw/zinc/83/87/52/402838752.db2.gz PHAOKQHSAKNRPA-OAHLLOKOSA-N 1 0 303.431 2.495 10 0 DEAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000184379844 402839630 /nfs/dbraw/zinc/83/96/30/402839630.db2.gz GKKRTRQPGWBCHM-KBAYOESNSA-N 1 0 321.509 2.345 10 0 DEAERO O=C(COc1ccc(F)cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195318055 402841492 /nfs/dbraw/zinc/84/14/92/402841492.db2.gz PGAZYTXQDICLGI-GFCCVEGCSA-N 1 0 312.772 2.165 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCCNc1ccccn1 ZINC000194065153 402783473 /nfs/dbraw/zinc/78/34/73/402783473.db2.gz JXJJVLVJDYLMTQ-OAHLLOKOSA-N 1 0 321.469 2.159 10 0 DEAERO Cc1cccc(F)c1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000184474848 402845917 /nfs/dbraw/zinc/84/59/17/402845917.db2.gz NUKOYVYVACKERK-CYBMUJFWSA-N 1 0 309.385 2.102 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)NC1CCSCC1)c1ccccc1 ZINC000195469935 402846800 /nfs/dbraw/zinc/84/68/00/402846800.db2.gz BZSHNPPBBVCRIN-OAHLLOKOSA-N 1 0 307.463 2.484 10 0 DEAERO CCCCNC(=O)[C@@H](C)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000195501657 402847625 /nfs/dbraw/zinc/84/76/25/402847625.db2.gz CQPXVMFBZDNLNU-CQSZACIVSA-N 1 0 306.454 2.387 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCOC2)c2ccc(F)cc2C1 ZINC000184510654 402847860 /nfs/dbraw/zinc/84/78/60/402847860.db2.gz VKDLVBYQVINCRL-NVXWUHKLSA-N 1 0 306.381 2.388 10 0 DEAERO CCCCCNC(=O)[C@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504845 402848007 /nfs/dbraw/zinc/84/80/07/402848007.db2.gz ASVSFAQSTNGHHD-AWEZNQCLSA-N 1 0 306.454 2.294 10 0 DEAERO C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195513290 402848509 /nfs/dbraw/zinc/84/85/09/402848509.db2.gz ZXGUACRMQXEACL-CQSZACIVSA-N 1 0 304.438 2.001 10 0 DEAERO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515796 402849022 /nfs/dbraw/zinc/84/90/22/402849022.db2.gz RODDCXKEUCIWGN-CQSZACIVSA-N 1 0 304.438 2.120 10 0 DEAERO Cc1cccc(O[C@@H](C)CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000176048383 402850149 /nfs/dbraw/zinc/85/01/49/402850149.db2.gz DSQSSRUKKTZDLD-JKSUJKDBSA-N 1 0 317.433 2.252 10 0 DEAERO CCOC(=O)CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268597109 403097865 /nfs/dbraw/zinc/09/78/65/403097865.db2.gz UEZUZDLCJRVOES-MRXNPFEDSA-N 1 0 318.417 2.063 10 0 DEAERO O[C@@H](C[NH2+]Cc1cccc(Cl)c1Cl)Cn1cccn1 ZINC000566733735 292264406 /nfs/dbraw/zinc/26/44/06/292264406.db2.gz YCGTXMHKJPXGKL-NSHDSACASA-N 1 0 300.189 2.341 10 0 DEAERO CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cscn2)nn1 ZINC000276286883 403160722 /nfs/dbraw/zinc/16/07/22/403160722.db2.gz GWUUMJRPBLTRSO-QWHCGFSZSA-N 1 0 321.450 2.236 10 0 DEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1c(F)cccc1Br ZINC000282346954 403145362 /nfs/dbraw/zinc/14/53/62/403145362.db2.gz MOGORGYJOLZSMT-UFBFGSQYSA-N 1 0 315.186 2.345 10 0 DEAERO C[C@@H](O)CC[NH2+]Cc1cccc(I)c1 ZINC000283915682 403232508 /nfs/dbraw/zinc/23/25/08/403232508.db2.gz KUEXBOOATIQPIA-SECBINFHSA-N 1 0 305.159 2.152 10 0 DEAERO C[C@H]1OCCN([C@H]2CC[C@](C)(c3ccccc3)C2)[C@@H]1C(N)=O ZINC000284637522 403270493 /nfs/dbraw/zinc/27/04/93/403270493.db2.gz OKWXPFFTAMWCGJ-VKZRIFJHSA-N 1 0 302.418 2.071 10 0 DEAERO CC(C)[C@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)CCCO1 ZINC000293322716 403443053 /nfs/dbraw/zinc/44/30/53/403443053.db2.gz XQAHVGSPGVSTFD-QZTJIDSGSA-N 1 0 307.434 2.311 10 0 DEAERO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000293364682 403453417 /nfs/dbraw/zinc/45/34/17/403453417.db2.gz CBNHLDKVAYZUGH-UHFFFAOYSA-N 1 0 315.417 2.083 10 0 DEAERO Cc1cn2cc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)ccc2n1 ZINC000333168443 403683972 /nfs/dbraw/zinc/68/39/72/403683972.db2.gz PHDVLZRKBOKQAE-NWANDNLSSA-N 1 0 313.405 2.234 10 0 DEAERO CO[C@@H]1CC[C@H]2OCCN(c3nc(C)nc4c3CCCC4)[C@@H]2C1 ZINC000302082835 403707766 /nfs/dbraw/zinc/70/77/66/403707766.db2.gz JTMUXXQZWDIDGU-KBRIMQKVSA-N 1 0 317.433 2.437 10 0 DEAERO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@@H](F)C[C@H]1CO ZINC000347432523 403708031 /nfs/dbraw/zinc/70/80/31/403708031.db2.gz GLWAKQULOHIJDV-IRXDYDNUSA-N 1 0 320.408 2.217 10 0 DEAERO Cc1nc(-c2ccccn2)nc(N2CCC3(CC[NH2+]3)CC2)c1C ZINC000333331240 403727187 /nfs/dbraw/zinc/72/71/87/403727187.db2.gz WFXQKTNCTJNKOD-UHFFFAOYSA-N 1 0 309.417 2.488 10 0 DEAERO CN(C(=O)c1ncsc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000288130562 403730385 /nfs/dbraw/zinc/73/03/85/403730385.db2.gz YXQIPVXWJATIAK-MRVPVSSYSA-N 1 0 318.240 2.072 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc3cc[nH]c(=O)c3c2)C1 ZINC000333359421 403733813 /nfs/dbraw/zinc/73/38/13/403733813.db2.gz GXUUMPVEHQBSFY-CYBMUJFWSA-N 1 0 300.362 2.108 10 0 DEAERO CCc1noc(CC)c1CNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333399234 403743246 /nfs/dbraw/zinc/74/32/46/403743246.db2.gz PSHKJIAKKIOCLY-UHFFFAOYSA-N 1 0 320.437 2.085 10 0 DEAERO C[C@H]1CN(C(=O)Nc2ccc3cc[nH]c(=O)c3c2)C[C@@H]1[NH+](C)C ZINC000333438974 403752220 /nfs/dbraw/zinc/75/22/20/403752220.db2.gz WARNOKSFTTYNJC-NHYWBVRUSA-N 1 0 314.389 2.354 10 0 DEAERO [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000333484549 403762739 /nfs/dbraw/zinc/76/27/39/403762739.db2.gz BUQWOFSULNYWFD-ABAIWWIYSA-N 1 0 309.360 2.475 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCOC2(C1)CCCCCC2 ZINC000333658587 403805961 /nfs/dbraw/zinc/80/59/61/403805961.db2.gz LDYKWQHWQAYISR-LSDHHAIUSA-N 1 0 309.454 2.119 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]CCN2CCCCCC2)C12CCOCC2 ZINC000186226403 286386590 /nfs/dbraw/zinc/38/65/90/286386590.db2.gz AKSVURWGJZTNNH-DLBZAZTESA-N 1 0 310.482 2.426 10 0 DEAERO Cc1cncc(-c2nc(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)no2)c1 ZINC000333541104 403776584 /nfs/dbraw/zinc/77/65/84/403776584.db2.gz LCDOJDZSBPLHCX-DZGCQCFKSA-N 1 0 313.405 2.109 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333545325 403777232 /nfs/dbraw/zinc/77/72/32/403777232.db2.gz JTMCXOZLDBBXPN-CVEARBPZSA-N 1 0 323.481 2.365 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000333588047 403785929 /nfs/dbraw/zinc/78/59/29/403785929.db2.gz ASVKSBSYJLHLGP-IINYFYTJSA-N 1 0 323.824 2.072 10 0 DEAERO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ncc(C(F)(F)F)s2)CC1 ZINC000333868702 403892636 /nfs/dbraw/zinc/89/26/36/403892636.db2.gz RLZSDZLTCZSOCB-KOLCDFICSA-N 1 0 321.368 2.495 10 0 DEAERO Cc1cc(C)c2c(c1)C[N@@H+](CC1CCS(=O)(=O)CC1)CC2 ZINC000362584167 403967980 /nfs/dbraw/zinc/96/79/80/403967980.db2.gz RJUIKYLOKUDSRR-UHFFFAOYSA-N 1 0 307.459 2.486 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccccc3[C@H]2O)C12CCOCC2 ZINC000249044993 286406716 /nfs/dbraw/zinc/40/67/16/286406716.db2.gz VSGJGDDKGOYFAR-WNRNVDISSA-N 1 0 317.429 2.209 10 0 DEAERO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3cc[nH]n3)o1)C[C@@H](C)O2 ZINC000369294929 404037199 /nfs/dbraw/zinc/03/71/99/404037199.db2.gz UAJUBAFGZBFNRM-XNJGSVPQSA-N 1 0 317.389 2.438 10 0 DEAERO COCCC1(C)CN(C(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000359188290 292299456 /nfs/dbraw/zinc/29/94/56/292299456.db2.gz FDAXATBCCNYGFJ-UHFFFAOYSA-N 1 0 311.470 2.176 10 0 DEAERO c1ncn(-c2ccc(CNC3CC([NH+]4CCCCC4)C3)cc2)n1 ZINC000369542455 404134862 /nfs/dbraw/zinc/13/48/62/404134862.db2.gz TYNNFZFYENZGIT-UHFFFAOYSA-N 1 0 311.433 2.374 10 0 DEAERO Cc1ccc(-c2nnc(N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)n2C)o1 ZINC000290401741 404152974 /nfs/dbraw/zinc/15/29/74/404152974.db2.gz MDJGFPWEYXFYJY-JSGCOSHPSA-N 1 0 315.421 2.447 10 0 DEAERO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329007440 404197422 /nfs/dbraw/zinc/19/74/22/404197422.db2.gz YHZRNGOPURNXKP-UMPJEAMMSA-N 1 0 304.438 2.108 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000364550877 404443401 /nfs/dbraw/zinc/44/34/01/404443401.db2.gz IJIKYEYOBFLYFV-KGLIPLIRSA-N 1 0 318.465 2.191 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CCC(C)(C)C2)CC(=O)N1C ZINC000330187961 404578757 /nfs/dbraw/zinc/57/87/57/404578757.db2.gz KTTAKTXSDJRSKN-CKEIUWERSA-N 1 0 318.465 2.477 10 0 DEAERO O=c1[nH]ccc2c1C[N@@H+]([C@@H]1CCCN(c3ccccc3)C1=O)CC2 ZINC000330258963 404605494 /nfs/dbraw/zinc/60/54/94/404605494.db2.gz MYMNNWQLEKXONX-QGZVFWFLSA-N 1 0 323.396 2.341 10 0 DEAERO CN(Cc1cscn1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000352904094 404687924 /nfs/dbraw/zinc/68/79/24/404687924.db2.gz SISSFNHCBHZVNM-XJKSGUPXSA-N 1 0 319.478 2.392 10 0 DEAERO COc1cccc2c1OCC(C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+])=C2 ZINC000261807638 286481544 /nfs/dbraw/zinc/48/15/44/286481544.db2.gz NBUINCHSFFASLQ-SWLSCSKDSA-N 1 0 316.401 2.057 10 0 DEAERO Cc1cn2cc(C(=O)NC3CC([NH+]4CCCCC4)C3)sc2n1 ZINC000357900246 404747541 /nfs/dbraw/zinc/74/75/41/404747541.db2.gz OIQBRZWROUOAMM-UHFFFAOYSA-N 1 0 318.446 2.451 10 0 DEAERO CC(C)(C)c1n[nH]cc1C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000376018143 404789294 /nfs/dbraw/zinc/78/92/94/404789294.db2.gz IBAOGDHZJPQVFU-KRWDZBQOSA-N 1 0 307.438 2.477 10 0 DEAERO c1cc(OC[C@@H]2CCCO2)ccc1CN[C@@H]1CCCC[NH2+]C1 ZINC000415065289 404799991 /nfs/dbraw/zinc/79/99/91/404799991.db2.gz FVDMXKUJSRFIPP-AEFFLSMTSA-N 1 0 304.434 2.476 10 0 DEAERO CCCC[N@H+](C)CCNC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000359677000 404801749 /nfs/dbraw/zinc/80/17/49/404801749.db2.gz FQPGSDVWFPNIHI-MRXNPFEDSA-N 1 0 321.469 2.389 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](CCCc2ccccc2)CC12COC2 ZINC000451137226 404876286 /nfs/dbraw/zinc/87/62/86/404876286.db2.gz OOXIEHNLYUEFIN-INIZCTEOSA-N 1 0 303.402 2.131 10 0 DEAERO COC(=O)[C@H](C1CC1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361074273 404904544 /nfs/dbraw/zinc/90/45/44/404904544.db2.gz STGAEBLEKLGSND-INIZCTEOSA-N 1 0 305.422 2.327 10 0 DEAERO Cn1cc(C[N@@H+]2CCC[C@H]2Cn2cncn2)c(-c2ccccc2)n1 ZINC000378441816 404966144 /nfs/dbraw/zinc/96/61/44/404966144.db2.gz IGKVIJMSAHADPG-KRWDZBQOSA-N 1 0 322.416 2.343 10 0 DEAERO CC(=O)c1cc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1F ZINC000415715940 404923235 /nfs/dbraw/zinc/92/32/35/404923235.db2.gz BMJKXAFBPVEPIT-ZDUSSCGKSA-N 1 0 305.353 2.387 10 0 DEAERO COCCCN(C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000190793788 292330506 /nfs/dbraw/zinc/33/05/06/292330506.db2.gz XWNHALURRLXWTI-GOEBONIOSA-N 1 0 309.454 2.023 10 0 DEAERO C[C@@]1(C[NH2+][C@H]2CCCNC(=O)C2)CCCN1Cc1ccccc1 ZINC000397967859 405060609 /nfs/dbraw/zinc/06/06/09/405060609.db2.gz YRHJANRJGZLBDC-HKUYNNGSSA-N 1 0 315.461 2.299 10 0 DEAERO Cn1c2ccc(C[N@@H+]3CC[C@@H](C(C)(C)C)[C@@H](O)C3)cc2oc1=O ZINC000408012414 405089277 /nfs/dbraw/zinc/08/92/77/405089277.db2.gz IPKINMQXXJSETI-HIFRSBDPSA-N 1 0 318.417 2.360 10 0 DEAERO Cc1[nH]nc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1C ZINC000408173706 405130305 /nfs/dbraw/zinc/13/03/05/405130305.db2.gz CGSCYOQZAGFAMH-UHFFFAOYSA-N 1 0 304.438 2.363 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCOc2cc(O)ccc2C1 ZINC000408105203 405113798 /nfs/dbraw/zinc/11/37/98/405113798.db2.gz GTJHJGULRDFZBR-AWEZNQCLSA-N 1 0 318.417 2.378 10 0 DEAERO C/C=C\C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(=O)OCC ZINC000361570819 405135408 /nfs/dbraw/zinc/13/54/08/405135408.db2.gz YNBRFAPSFDTTSF-GMNBZTITSA-N 1 0 318.417 2.376 10 0 DEAERO C/C=C/C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(=O)OCC ZINC000361570818 405135743 /nfs/dbraw/zinc/13/57/43/405135743.db2.gz YNBRFAPSFDTTSF-BIENSFFJSA-N 1 0 318.417 2.376 10 0 DEAERO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc3nc[nH]c3cc2F)C[C@@H]1C ZINC000408471568 405214777 /nfs/dbraw/zinc/21/47/77/405214777.db2.gz STFQBDMHEBCHFB-QWRGUYRKSA-N 1 0 304.369 2.257 10 0 DEAERO COc1ccc2nc(C)cc(C(=O)N3CC[NH2+]C(C)(C)C3)c2c1 ZINC000408322675 405173268 /nfs/dbraw/zinc/17/32/68/405173268.db2.gz UVEZNDIXTHFGMV-UHFFFAOYSA-N 1 0 313.401 2.376 10 0 DEAERO OCCC[N@H+](CCOc1ccc(F)cc1)Cc1ccccn1 ZINC000438993664 405262092 /nfs/dbraw/zinc/26/20/92/405262092.db2.gz KNUFGRHLMMCHMK-UHFFFAOYSA-N 1 0 304.365 2.484 10 0 DEAERO COC1([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)CCOCC1 ZINC000453100272 405284276 /nfs/dbraw/zinc/28/42/76/405284276.db2.gz RGZKWEMULGHKTO-NVXWUHKLSA-N 1 0 307.434 2.011 10 0 DEAERO O=C(NCCC[NH+]1CCCC1)Nc1ccc(N2CCC2=O)cc1 ZINC000439954614 405297791 /nfs/dbraw/zinc/29/77/91/405297791.db2.gz VSTZINLJDNIOAY-UHFFFAOYSA-N 1 0 316.405 2.031 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(I)cn1 ZINC000420252040 405301035 /nfs/dbraw/zinc/30/10/35/405301035.db2.gz YYCGBLCXPGJCBT-WPRPVWTQSA-N 1 0 317.174 2.239 10 0 DEAERO c1ccc(-n2nnnc2CC[NH2+][C@H](c2cccnc2)C2CC2)cc1 ZINC000445767714 405356676 /nfs/dbraw/zinc/35/66/76/405356676.db2.gz SUUBYQLKRUBPIM-SFHVURJKSA-N 1 0 320.400 2.341 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@H](c1ccccc1)C(F)F ZINC000455598684 405432095 /nfs/dbraw/zinc/43/20/95/405432095.db2.gz NWYHQNOAZFRUNX-CQSZACIVSA-N 1 0 320.343 2.221 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2coc3ccccc23)CC12COC2 ZINC000449363598 405525843 /nfs/dbraw/zinc/52/58/43/405525843.db2.gz MJRIATRKQKRYEE-OAHLLOKOSA-N 1 0 315.369 2.444 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@@H](CO)C2CCCCC2)CC1 ZINC000458676312 405537019 /nfs/dbraw/zinc/53/70/19/405537019.db2.gz XTDWORQFALCBEO-KRWDZBQOSA-N 1 0 323.481 2.126 10 0 DEAERO c1ccc(-n2nnc(CN[C@H]3CC[N@@H+](C4CC4)C3)c2C2CC2)cc1 ZINC000638563694 405547856 /nfs/dbraw/zinc/54/78/56/405547856.db2.gz BDCHHLOHEBMGLM-HNNXBMFYSA-N 1 0 323.444 2.471 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(Br)cn1CC ZINC000638568689 405549428 /nfs/dbraw/zinc/54/94/28/405549428.db2.gz DFCIRYDSTBCQCQ-WDEREUQCSA-N 1 0 314.227 2.141 10 0 DEAERO CCc1noc(C)c1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000458851783 405625570 /nfs/dbraw/zinc/62/55/70/405625570.db2.gz VOTBHTQKZQTVFF-UHFFFAOYSA-N 1 0 320.437 2.315 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H](O)C(C)C)c1Br ZINC000638603937 405568155 /nfs/dbraw/zinc/56/81/55/405568155.db2.gz LNIORKAOMHQASN-SSDOTTSWSA-N 1 0 309.229 2.021 10 0 DEAERO CC[C@@H](C)[NH+]1CCN(C(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000458786832 405591673 /nfs/dbraw/zinc/59/16/73/405591673.db2.gz KKRFTSXYVLMVIY-CYBMUJFWSA-N 1 0 315.421 2.189 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)Cc2cccc(Br)c2)C[NH2+]1 ZINC000638651810 405595845 /nfs/dbraw/zinc/59/58/45/405595845.db2.gz HAQDKMXRFZMRNZ-ZWNOBZJWSA-N 1 0 311.223 2.248 10 0 DEAERO CC[C@@H](O)CC[NH2+]Cc1snc(OC)c1Br ZINC000638763671 405655121 /nfs/dbraw/zinc/65/51/21/405655121.db2.gz GLYRLFJFAYHJBM-SSDOTTSWSA-N 1 0 309.229 2.165 10 0 DEAERO c1cn(Cc2ccccc2)c(C[NH2+][C@@H]2CCn3ccnc3C2)n1 ZINC000494423044 405695054 /nfs/dbraw/zinc/69/50/54/405695054.db2.gz DHNSAURXRRRFOX-MRXNPFEDSA-N 1 0 307.401 2.233 10 0 DEAERO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2C2CC2)cc1 ZINC000568742320 292363597 /nfs/dbraw/zinc/36/35/97/292363597.db2.gz NQRXACIYUQVLBM-NZSAHSFTSA-N 1 0 317.429 2.336 10 0 DEAERO C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000638884064 405740009 /nfs/dbraw/zinc/74/00/09/405740009.db2.gz FGPNAKRZBBTPJP-NXEZZACHSA-N 1 0 317.216 2.425 10 0 DEAERO C[C@@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000638887233 405742025 /nfs/dbraw/zinc/74/20/25/405742025.db2.gz KHSDHSDCMDCKBN-ZJUUUORDSA-N 1 0 317.216 2.425 10 0 DEAERO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC000638890617 405743309 /nfs/dbraw/zinc/74/33/09/405743309.db2.gz FFEGSJSQYOHBHX-ZYHUDNBSSA-N 1 0 311.223 2.424 10 0 DEAERO Cc1c(Br)cccc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638891867 405744988 /nfs/dbraw/zinc/74/49/88/405744988.db2.gz VFXYRDOABIJZET-ONGXEEELSA-N 1 0 311.223 2.424 10 0 DEAERO COCc1ccc(C(=O)N2C[C@@H]([NH3+])CC[C@H]2C(F)(F)F)cc1 ZINC000583619803 405776541 /nfs/dbraw/zinc/77/65/41/405776541.db2.gz IYOKEHPFNDLQKL-STQMWFEESA-N 1 0 316.323 2.327 10 0 DEAERO O[C@@]1(c2cn[nH]n2)CCC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000583617888 405776842 /nfs/dbraw/zinc/77/68/42/405776842.db2.gz GLGPGDBSZDINFK-IBGZPJMESA-N 1 0 322.412 2.484 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000495063208 405808622 /nfs/dbraw/zinc/80/86/22/405808622.db2.gz WVYBTVNWOSQGBP-IJLUTSLNSA-N 1 0 301.381 2.489 10 0 DEAERO CN(C)c1ccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000459243762 405815647 /nfs/dbraw/zinc/81/56/47/405815647.db2.gz ACEFKRPBKDAJPB-ZDUSSCGKSA-N 1 0 305.426 2.001 10 0 DEAERO O=C(CCC(F)(F)F)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000583614730 405774098 /nfs/dbraw/zinc/77/40/98/405774098.db2.gz VOHRQCUJKSWWHH-CYBMUJFWSA-N 1 0 315.339 2.362 10 0 DEAERO Cc1noc(CN2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)n1 ZINC000450422625 405889405 /nfs/dbraw/zinc/88/94/05/405889405.db2.gz NMMKGKRHFZLRKF-ZDUSSCGKSA-N 1 0 314.380 2.321 10 0 DEAERO c1nnc(N2CCC([NH2+]CCOc3ccccc3)CC2)s1 ZINC000450340861 405842609 /nfs/dbraw/zinc/84/26/09/405842609.db2.gz HMLMOYWHFJXNJR-UHFFFAOYSA-N 1 0 304.419 2.176 10 0 DEAERO CCn1nncc1CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000459324383 405854814 /nfs/dbraw/zinc/85/48/14/405854814.db2.gz KJQVDYBDYWKHFK-MRXNPFEDSA-N 1 0 305.470 2.242 10 0 DEAERO O[C@H](COC[C@@H]1CCCO1)CN1Cc2cccc(Cl)c2C1 ZINC000561917435 405953018 /nfs/dbraw/zinc/95/30/18/405953018.db2.gz DLXHTUPXCYWWGP-KBPBESRZSA-N 1 0 311.809 2.212 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CCC(=O)OC)CC1 ZINC000531476548 405964098 /nfs/dbraw/zinc/96/40/98/405964098.db2.gz FXZRFMQHWAIMHL-OAHLLOKOSA-N 1 0 310.438 2.053 10 0 DEAERO COCC1([NH2+]Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000531701864 405996140 /nfs/dbraw/zinc/99/61/40/405996140.db2.gz NLDWKRDSFSSKEV-UHFFFAOYSA-N 1 0 316.195 2.432 10 0 DEAERO C(c1noc(CN2CCC[C@H]2C[NH+]2CCCCC2)n1)C1CC1 ZINC000639471468 406103920 /nfs/dbraw/zinc/10/39/20/406103920.db2.gz OWBZIYWUJYULRG-HNNXBMFYSA-N 1 0 304.438 2.472 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000533816339 406163364 /nfs/dbraw/zinc/16/33/64/406163364.db2.gz SHBBHUYRWBLJMR-OFQRWUPVSA-N 1 0 302.422 2.183 10 0 DEAERO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)CC(=O)NCCc2ccccc2)C1 ZINC000471791192 406119049 /nfs/dbraw/zinc/11/90/49/406119049.db2.gz IFAHNHFJKRKISX-BHYGNILZSA-N 1 0 304.434 2.281 10 0 DEAERO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000471824030 406122272 /nfs/dbraw/zinc/12/22/72/406122272.db2.gz ZOYJGSDWVYCROT-RRFJBIMHSA-N 1 0 320.433 2.490 10 0 DEAERO O=C1[C@@H]([NH2+]Cc2ccc3[nH]cnc3c2)CCN1c1ccccc1 ZINC000518302354 406133973 /nfs/dbraw/zinc/13/39/73/406133973.db2.gz AEPSGCQSIPSEME-INIZCTEOSA-N 1 0 306.369 2.458 10 0 DEAERO CO[C@H](C)[C@@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000519493502 406201071 /nfs/dbraw/zinc/20/10/71/406201071.db2.gz AVCVYJADBPCUBZ-KQTLUZQSSA-N 1 0 309.454 2.068 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000487280107 406221199 /nfs/dbraw/zinc/22/11/99/406221199.db2.gz QULSNFIDJDJTOK-AXTRIDKLSA-N 1 0 314.227 2.086 10 0 DEAERO Cn1ncc(Br)c1CN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487331636 406225310 /nfs/dbraw/zinc/22/53/10/406225310.db2.gz YGLLFRPMSFDNDN-WDEREUQCSA-N 1 0 315.259 2.145 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000487533373 406242575 /nfs/dbraw/zinc/24/25/75/406242575.db2.gz DRCSWRCARUTESH-MFKMUULPSA-N 1 0 314.227 2.230 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1ccc(F)cc1OC(F)F ZINC000487617438 406251754 /nfs/dbraw/zinc/25/17/54/406251754.db2.gz JUGLITPFQSSLSD-UHFFFAOYSA-N 1 0 304.312 2.499 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000545991829 406342821 /nfs/dbraw/zinc/34/28/21/406342821.db2.gz HYELWZDNAKFMIX-OAHLLOKOSA-N 1 0 301.390 2.236 10 0 DEAERO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488800142 406350003 /nfs/dbraw/zinc/35/00/03/406350003.db2.gz DVRFNOWQBCUPFR-SJLPKXTDSA-N 1 0 318.461 2.436 10 0 DEAERO c1c[nH]c(-c2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)n1 ZINC000547147353 406390191 /nfs/dbraw/zinc/39/01/91/406390191.db2.gz XEZCFKDDEUMJOO-CYBMUJFWSA-N 1 0 310.361 2.234 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000547405062 406406433 /nfs/dbraw/zinc/40/64/33/406406433.db2.gz ZICQXRGNVDZDIR-BETUJISGSA-N 1 0 301.390 2.235 10 0 DEAERO C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000523451754 406425993 /nfs/dbraw/zinc/42/59/93/406425993.db2.gz QOXDPXAQFVKRRH-BMFZPTHFSA-N 1 0 323.408 2.301 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC000525164000 406471484 /nfs/dbraw/zinc/47/14/84/406471484.db2.gz KLFDOIATFZKSHQ-UHFFFAOYSA-N 1 0 304.438 2.149 10 0 DEAERO CC(C)CN(C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000637929316 406482735 /nfs/dbraw/zinc/48/27/35/406482735.db2.gz LESNYHMJSHZSFY-QGZVFWFLSA-N 1 0 303.450 2.093 10 0 DEAERO [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000637898458 406467717 /nfs/dbraw/zinc/46/77/17/406467717.db2.gz RIEAWLJSZNLPNT-MDZLAQPJSA-N 1 0 312.822 2.109 10 0 DEAERO CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cncs2)C1 ZINC000548673470 406537964 /nfs/dbraw/zinc/53/79/64/406537964.db2.gz UIVJGNQELVWSMC-AWEZNQCLSA-N 1 0 322.459 2.145 10 0 DEAERO CN(C(=O)Nc1ccccc1CC[NH+](C)C)C1CCOCC1 ZINC000526096049 406544949 /nfs/dbraw/zinc/54/49/49/406544949.db2.gz MYIQQVNRMDTSPJ-UHFFFAOYSA-N 1 0 305.422 2.433 10 0 DEAERO C[C@@H]1CCCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000637971506 406503123 /nfs/dbraw/zinc/50/31/23/406503123.db2.gz WCKAOOCEEAUYQY-INMHGKMJSA-N 1 0 303.450 2.093 10 0 DEAERO CN(C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C1CCC1 ZINC000638002700 406518143 /nfs/dbraw/zinc/51/81/43/406518143.db2.gz KPOHKYZKWSZYRO-UHFFFAOYSA-N 1 0 315.461 2.381 10 0 DEAERO c1ccc(CN2CCO[C@@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000638317226 406695716 /nfs/dbraw/zinc/69/57/16/406695716.db2.gz PVUAEDNVIJWCSD-MSOLQXFVSA-N 1 0 304.434 2.046 10 0 DEAERO C[C@@H](CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)CC(F)F ZINC000638372254 406732130 /nfs/dbraw/zinc/73/21/30/406732130.db2.gz UBVVMRKPXBJYKV-TYNCELHUSA-N 1 0 314.376 2.327 10 0 DEAERO c1ncn(-c2ccc(C[NH2+]C[C@H]3CCN3C3CCCC3)cc2)n1 ZINC000527809058 406758928 /nfs/dbraw/zinc/75/89/28/406758928.db2.gz SEHLZXKZMOCYEG-GOSISDBHSA-N 1 0 311.433 2.374 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)[C@@H]1CCCO1 ZINC000183153720 287045710 /nfs/dbraw/zinc/04/57/10/287045710.db2.gz XVRXXDFCQXYRSH-DYEKYZERSA-N 1 0 308.447 2.178 10 0 DEAERO C[C@@H](CC[S@](C)=O)Nc1c(C(N)=S)c[nH+]c2ccccc21 ZINC000128597506 195976927 /nfs/dbraw/zinc/97/69/27/195976927.db2.gz OAZPLLOMLRGUHH-CHNSCGDPSA-N 1 0 321.471 2.438 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000175268453 287221545 /nfs/dbraw/zinc/22/15/45/287221545.db2.gz NUXQQRLCTHGBND-LJIZCISZSA-N 1 0 321.465 2.068 10 0 DEAERO CCc1nn(C)c(C[C@H](O)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1Cl ZINC000129057702 196015881 /nfs/dbraw/zinc/01/58/81/196015881.db2.gz CLWSCJXMUPOYDB-YEWTVFCHSA-N 1 0 311.857 2.412 10 0 DEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000129174856 196025457 /nfs/dbraw/zinc/02/54/57/196025457.db2.gz BPFQFZKUZBTRSW-DTWKUNHWSA-N 1 0 300.196 2.243 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@@H](OC)C2CC2)c1Br ZINC000129190671 196027498 /nfs/dbraw/zinc/02/74/98/196027498.db2.gz PVPYCIPPJQPZOY-RNCFNFMXSA-N 1 0 316.243 2.040 10 0 DEAERO [NH3+]Cc1cncn1Cc1cc(Br)cc2c1OCC2 ZINC000129231652 196031407 /nfs/dbraw/zinc/03/14/07/196031407.db2.gz PRPHOWQBFCZEPI-UHFFFAOYSA-N 1 0 308.179 2.088 10 0 DEAERO C[C@H]1CN(C(=O)c2cc(Cl)ncc2Cl)C[C@H]1[NH+](C)C ZINC000129379124 196043175 /nfs/dbraw/zinc/04/31/75/196043175.db2.gz XLVVCUGUMJRJCE-GZMMTYOYSA-N 1 0 302.205 2.411 10 0 DEAERO C[NH2+]C[C@@H](C)CNC(=O)c1cc(Br)cn1C1CC1 ZINC000129404020 196046079 /nfs/dbraw/zinc/04/60/79/196046079.db2.gz ADGSLDQSWZCTND-SECBINFHSA-N 1 0 314.227 2.171 10 0 DEAERO COC(=O)c1c(NC(=O)[C@H](C)CC[NH3+])sc2c1CCCC2 ZINC000129438843 196048303 /nfs/dbraw/zinc/04/83/03/196048303.db2.gz HMPNMNIMCYMEFI-SECBINFHSA-N 1 0 310.419 2.337 10 0 DEAERO CC(C)C[NH2+]C[C@H]1CC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129456115 196050429 /nfs/dbraw/zinc/05/04/29/196050429.db2.gz MXFUNYQWCDMAPW-ARFHVFGLSA-N 1 0 316.511 2.320 10 0 DEAERO COc1ccc(OC[C@H]2CC[C@H](C[NH3+])O2)c(Br)c1 ZINC000129630208 196063536 /nfs/dbraw/zinc/06/35/36/196063536.db2.gz OIINYDDDXDUHAB-GHMZBOCLSA-N 1 0 316.195 2.343 10 0 DEAERO C[NH2+][C@@H]1C[C@@H](Oc2ccc(OC)cc2Br)[C@@H]1OC ZINC000129669427 196066934 /nfs/dbraw/zinc/06/69/34/196066934.db2.gz KBXULGTTYDJOPR-RAIGVLPGSA-N 1 0 316.195 2.212 10 0 DEAERO CCO[C@@H]([C@H]([NH3+])Cc1c(Br)c(C)nn1C)C1CC1 ZINC000129840838 196079981 /nfs/dbraw/zinc/07/99/81/196079981.db2.gz ASMQQOMJSSAZGH-ZWNOBZJWSA-N 1 0 316.243 2.176 10 0 DEAERO C[C@](C[NH3+])(C1CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000130469148 196085299 /nfs/dbraw/zinc/08/52/99/196085299.db2.gz CPVSYGNIUZRYFG-AWEZNQCLSA-N 1 0 323.190 2.173 10 0 DEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)NCCCC(F)(F)F ZINC000130551183 196089839 /nfs/dbraw/zinc/08/98/39/196089839.db2.gz ZUXYYKKVMWABTD-UHFFFAOYSA-N 1 0 310.341 2.075 10 0 DEAERO COc1ccc(Br)c(NC(=O)[C@H](C)CC[NH3+])c1 ZINC000130551579 196089888 /nfs/dbraw/zinc/08/98/88/196089888.db2.gz WHCINMFHLKIVLH-MRVPVSSYSA-N 1 0 301.184 2.381 10 0 DEAERO C[C@H](CN(C)C)[NH2+]Cc1ccc(I)cc1 ZINC000130557003 196090781 /nfs/dbraw/zinc/09/07/81/196090781.db2.gz TZLYSUNULMNOEK-SNVBAGLBSA-N 1 0 318.202 2.331 10 0 DEAERO [NH3+][C@@H]1CCN(c2cc(-c3cccc(Br)c3)[nH]n2)C1 ZINC000130598148 196093783 /nfs/dbraw/zinc/09/37/83/196093783.db2.gz TVPIAMHZHROWSW-LLVKDONJSA-N 1 0 307.195 2.377 10 0 DEAERO C[C@H](CN1C(=O)C2(CC2)N[C@@H]1c1ccsc1)[NH+]1CCCC1 ZINC000130756218 196107297 /nfs/dbraw/zinc/10/72/97/196107297.db2.gz BDWBZDYJDFLQKI-OCCSQVGLSA-N 1 0 305.447 2.195 10 0 DEAERO C[NH2+]C[C@H]1COCCN1Cc1cc(F)cc(Br)c1 ZINC000130766277 196108236 /nfs/dbraw/zinc/10/82/36/196108236.db2.gz RMKWENWAMPFWSP-ZDUSSCGKSA-N 1 0 317.202 2.008 10 0 DEAERO CS[C@H](C)CCNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000130939127 196123522 /nfs/dbraw/zinc/12/35/22/196123522.db2.gz FKXQUOWXKOKVIV-MNOVXSKESA-N 1 0 302.465 2.126 10 0 DEAERO CS(=O)(=O)c1ccc(Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000131044630 196134748 /nfs/dbraw/zinc/13/47/48/196134748.db2.gz QDFCTONFIILWHM-UHFFFAOYSA-N 1 0 302.399 2.479 10 0 DEAERO COc1ccc(C(N)=[NH2+])cc1CSc1nnc(N(C)C)s1 ZINC000131112760 196140860 /nfs/dbraw/zinc/14/08/60/196140860.db2.gz GYVFBDBSWPRYFE-UHFFFAOYSA-N 1 0 323.447 2.189 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)c1ccc(F)c(OC)c1 ZINC000131124364 196141833 /nfs/dbraw/zinc/14/18/33/196141833.db2.gz ZKGPPFTWKSDEJN-ZDUSSCGKSA-N 1 0 303.399 2.310 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@](C)(C[NH3+])C(C)C ZINC000131175583 196146505 /nfs/dbraw/zinc/14/65/05/196146505.db2.gz WUMTXASJSUGHJL-CYBMUJFWSA-N 1 0 304.843 2.300 10 0 DEAERO CSCC[C@@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000131236146 196152315 /nfs/dbraw/zinc/15/23/15/196152315.db2.gz AMNNYOQKENLDMR-MNOVXSKESA-N 1 0 302.465 2.126 10 0 DEAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC[C@@H](C)OCC)c1 ZINC000131229627 196152685 /nfs/dbraw/zinc/15/26/85/196152685.db2.gz CMAVAVVKOGXHNJ-OLZOCXBDSA-N 1 0 314.451 2.060 10 0 DEAERO C[N@H+](CC(=O)Nc1ccc(Cl)cc1N)[C@@H]1CCCC[C@@H]1O ZINC000131261915 196155566 /nfs/dbraw/zinc/15/55/66/196155566.db2.gz NHFSMMWRPBJGSY-KGLIPLIRSA-N 1 0 311.813 2.096 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1Sc1ncns1)OCCO2 ZINC000131324641 196160500 /nfs/dbraw/zinc/16/05/00/196160500.db2.gz ADLCOYHBFIMYMM-GHMZBOCLSA-N 1 0 315.464 2.294 10 0 DEAERO CC[NH2+][C@H](Cc1cccc(F)c1F)[C@@H]1CCCCS1(=O)=O ZINC000131484214 196173725 /nfs/dbraw/zinc/17/37/25/196173725.db2.gz MNTJOEKLTMRWJB-KGLIPLIRSA-N 1 0 317.401 2.453 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)C[C@@H](C)c2ccccc2C)CC1 ZINC000131539654 196178549 /nfs/dbraw/zinc/17/85/49/196178549.db2.gz LMJLWVPQMFEASG-IAGOWNOFSA-N 1 0 318.461 2.404 10 0 DEAERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1cc(Cl)ccc1Br ZINC000131637121 196186436 /nfs/dbraw/zinc/18/64/36/196186436.db2.gz JFQBHFBYNGAKCF-VXNVDRBHSA-N 1 0 319.586 2.015 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)c2ccc(CCC[NH3+])cc2)C[C@@H]1C ZINC000131786103 196199160 /nfs/dbraw/zinc/19/91/60/196199160.db2.gz WDGFZSDSFROKCR-KGLIPLIRSA-N 1 0 310.463 2.245 10 0 DEAERO CCCn1ncc(Br)c1[C@]1(O)CCC[N@H+](C)CC1 ZINC000132497211 196260260 /nfs/dbraw/zinc/26/02/60/196260260.db2.gz FZENWWJRYVLIGM-ZDUSSCGKSA-N 1 0 316.243 2.359 10 0 DEAERO CC(C)c1noc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000132866253 196291958 /nfs/dbraw/zinc/29/19/58/196291958.db2.gz LSVOXDDBNJIHIK-ZIAGYGMSSA-N 1 0 308.426 2.373 10 0 DEAERO CCCn1ncc(Br)c1C1(O)CCC([NH3+])CC1 ZINC000132890936 196293335 /nfs/dbraw/zinc/29/33/35/196293335.db2.gz HAILHZIBOMWJNR-UHFFFAOYSA-N 1 0 302.216 2.145 10 0 DEAERO CC(C)C[N@H+](CC(N)=O)Cc1ccc(O)c(C(F)(F)F)c1 ZINC000132902642 196294273 /nfs/dbraw/zinc/29/42/73/196294273.db2.gz RKULMLYCWUDXDF-UHFFFAOYSA-N 1 0 304.312 2.354 10 0 DEAERO C[C@](O)(C[NH3+])Cc1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000133001657 196303593 /nfs/dbraw/zinc/30/35/93/196303593.db2.gz YRYUFYGCNYFXSU-GFCCVEGCSA-N 1 0 302.161 2.296 10 0 DEAERO COCc1cc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)ccc1OC ZINC000133006756 196304159 /nfs/dbraw/zinc/30/41/59/196304159.db2.gz BHMYRYKSUQLSKQ-DOMZBBRYSA-N 1 0 306.406 2.113 10 0 DEAERO c1csc(N2CC[NH+](C[C@@H]3Cc4ccccc4N3)CC2)n1 ZINC000133026534 196306259 /nfs/dbraw/zinc/30/62/59/196306259.db2.gz NXOPSOJFLLCSAN-AWEZNQCLSA-N 1 0 300.431 2.302 10 0 DEAERO CCC[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2C)C1 ZINC000133300589 196328736 /nfs/dbraw/zinc/32/87/36/196328736.db2.gz LZOJXYOHXNASFZ-HNNXBMFYSA-N 1 0 310.463 2.456 10 0 DEAERO CCC[NH2+][C@H](CSc1n[nH]c(=O)n1CCC)[C@@H](C)CC ZINC000133321838 196329038 /nfs/dbraw/zinc/32/90/38/196329038.db2.gz IVMBZIIQQWLEEG-NWDGAFQWSA-N 1 0 300.472 2.488 10 0 DEAERO C[N@@H+]1CC[C@@H](CNc2c(Cl)cnn(CC3CCC3)c2=O)C1 ZINC000133862392 196341200 /nfs/dbraw/zinc/34/12/00/196341200.db2.gz VPBRRHOZPDOJQT-LBPRGKRZSA-N 1 0 310.829 2.060 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)CCC2 ZINC000133952616 196348329 /nfs/dbraw/zinc/34/83/29/196348329.db2.gz ARLAHZJULHCRIZ-ZBFHGGJFSA-N 1 0 309.431 2.239 10 0 DEAERO FC(F)(F)[C@@]1(c2nn3c(nnc3C3CCC3)s2)CC[NH2+]C1 ZINC000134050805 196357007 /nfs/dbraw/zinc/35/70/07/196357007.db2.gz BHLGDFQMNZALRT-NSHDSACASA-N 1 0 317.340 2.247 10 0 DEAERO COCCn1ncc(Cl)c1[C@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000134061463 196357994 /nfs/dbraw/zinc/35/79/94/196357994.db2.gz RXBLOAFECIRHMC-CYBMUJFWSA-N 1 0 313.760 2.379 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)NCC[S@](=O)CC)cc1 ZINC000134085799 196359549 /nfs/dbraw/zinc/35/95/49/196359549.db2.gz LTLVNIGKMAGZSD-QKVFXAPYSA-N 1 0 311.451 2.247 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(NC(=O)NCC[S@](=O)CC)cc1 ZINC000134086027 196359824 /nfs/dbraw/zinc/35/98/24/196359824.db2.gz LTLVNIGKMAGZSD-GTJPDFRWSA-N 1 0 311.451 2.247 10 0 DEAERO CC[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)NC1(C)CCC1 ZINC000134135771 196364739 /nfs/dbraw/zinc/36/47/39/196364739.db2.gz YJTCISHOQUJVKA-UHFFFAOYSA-N 1 0 300.424 2.227 10 0 DEAERO C[N@@H+]1CCC[C@H](Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000134267777 196374444 /nfs/dbraw/zinc/37/44/44/196374444.db2.gz NYLMJEUYEPWWTE-NSHDSACASA-N 1 0 317.842 2.218 10 0 DEAERO CCCNc1cc(NCC[S@@](=O)CC)nc(SC)[nH+]1 ZINC000134272580 196375758 /nfs/dbraw/zinc/37/57/58/196375758.db2.gz LVPHAOUCRDEFHV-LJQANCHMSA-N 1 0 302.469 2.201 10 0 DEAERO COc1ccc(Br)cc1C[C@@]1(O)CCC[N@H+](C)C1 ZINC000134345522 196380657 /nfs/dbraw/zinc/38/06/57/196380657.db2.gz PRDFMKWQCVJHKR-AWEZNQCLSA-N 1 0 314.223 2.457 10 0 DEAERO C[N@@H+]1CCC[C@@]2(CC(=O)NC(=O)[C@@H]2c2cccc(Cl)c2)C1 ZINC000134372815 196382548 /nfs/dbraw/zinc/38/25/48/196382548.db2.gz OYMBNUYXJYCTJX-GOEBONIOSA-N 1 0 306.793 2.182 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)C(=O)NC(C)(C)C ZINC000135312419 196463186 /nfs/dbraw/zinc/46/31/86/196463186.db2.gz QPCPRVXLTCEFHC-STQMWFEESA-N 1 0 314.495 2.324 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000136322468 196531810 /nfs/dbraw/zinc/53/18/10/196531810.db2.gz NUGKSNRNHHZGQZ-GRYCIOLGSA-N 1 0 310.360 2.366 10 0 DEAERO CC(C)(C)[C@H]([NH3+])CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000136867196 196554857 /nfs/dbraw/zinc/55/48/57/196554857.db2.gz BPEDWKWRJXFICW-CQSZACIVSA-N 1 0 309.479 2.156 10 0 DEAERO C[C@H]1CN(C(=O)Nc2cccc(Cl)c2F)CCN1CCO ZINC000188403035 225019220 /nfs/dbraw/zinc/01/92/20/225019220.db2.gz LQINSAXEENMIMK-JTQLQIEISA-N 1 0 315.776 2.009 10 0 DEAERO Cc1ccc2c(CC[NH2+][C@@H]3CCCS(=O)(=O)C3)cn(C)c2c1 ZINC000188699898 225029605 /nfs/dbraw/zinc/02/96/05/225029605.db2.gz VVRDNHIPWRKRMM-OAHLLOKOSA-N 1 0 320.458 2.196 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000189635189 225058090 /nfs/dbraw/zinc/05/80/90/225058090.db2.gz WYZRUVCZORUJSR-CQSZACIVSA-N 1 0 320.433 2.314 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1(CCO)CC1 ZINC000190238946 225078660 /nfs/dbraw/zinc/07/86/60/225078660.db2.gz BRJWVUZBMMUPEB-OAHLLOKOSA-N 1 0 311.470 2.103 10 0 DEAERO C[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)C1 ZINC000246804183 287370748 /nfs/dbraw/zinc/37/07/48/287370748.db2.gz JWWSWOHHAIITGT-KZNAEPCWSA-N 1 0 321.509 2.441 10 0 DEAERO C[C@H](C[NH+]1CCCCCC1)Nc1ncnc2nc(N)ccc21 ZINC000302480566 230262448 /nfs/dbraw/zinc/26/24/48/230262448.db2.gz XZPRKWNLDIKOCP-GFCCVEGCSA-N 1 0 300.410 2.283 10 0 DEAERO C[C@@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000046889424 424822779 /nfs/dbraw/zinc/82/27/79/424822779.db2.gz WKYWYTZQTSEGLB-HZPDHXFCSA-N 1 0 319.449 2.327 10 0 DEAERO Cc1nnc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)s1 ZINC000043408752 424811868 /nfs/dbraw/zinc/81/18/68/424811868.db2.gz GUNVBMRIEMSWNP-GFCCVEGCSA-N 1 0 305.407 2.271 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)c1 ZINC000105881634 424849702 /nfs/dbraw/zinc/84/97/02/424849702.db2.gz ACFMPDXJSKPQBD-ZDUSSCGKSA-N 1 0 304.369 2.256 10 0 DEAERO Cc1cccc(C)c1OC[C@@H](O)CN1CCC([NH+](C)C)CC1 ZINC000193811963 424871502 /nfs/dbraw/zinc/87/15/02/424871502.db2.gz PVBHRQDVESGHGY-KRWDZBQOSA-N 1 0 306.450 2.069 10 0 DEAERO C[C@H](C(=O)N1CCCc2ccccc21)N1CCC([NH+](C)C)CC1 ZINC000193811871 424871562 /nfs/dbraw/zinc/87/15/62/424871562.db2.gz PPAYQNHVOGVHQW-OAHLLOKOSA-N 1 0 315.461 2.380 10 0 DEAERO CC(C)[C@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000124792543 424855510 /nfs/dbraw/zinc/85/55/10/424855510.db2.gz HMDBFGBMWHYGDZ-IINYFYTJSA-N 1 0 322.232 2.340 10 0 DEAERO CN(CC[N@H+](C)C1CC1)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000565928896 424907480 /nfs/dbraw/zinc/90/74/80/424907480.db2.gz BHUOWXJXYXOGMR-UHFFFAOYSA-N 1 0 320.437 3.064 10 0 DEAERO C[C@]1(CNc2cc(C#N)cnn2)CCC[N@@H+]1Cc1ccccc1 ZINC000398053104 424922156 /nfs/dbraw/zinc/92/21/56/424922156.db2.gz GTAVFDXBOOXPPD-GOSISDBHSA-N 1 0 307.401 2.815 10 0 DEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400214094 424923039 /nfs/dbraw/zinc/92/30/39/424923039.db2.gz WKBWIBZLYFRYRJ-MJBXVCDLSA-N 1 0 302.484 2.215 10 0 DEAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1nscc1Br ZINC000404776535 424928620 /nfs/dbraw/zinc/92/86/20/424928620.db2.gz AJSZYWKVDPLADO-MRVPVSSYSA-N 1 0 318.240 2.072 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1nscc1Br ZINC000404767580 424928840 /nfs/dbraw/zinc/92/88/40/424928840.db2.gz HKYCUQYELRGYLJ-IONNQARKSA-N 1 0 318.240 2.153 10 0 DEAERO CN(C(=O)c1nscc1Br)[C@H]1CCC[N@H+](C)C1 ZINC000404846470 424929729 /nfs/dbraw/zinc/92/97/29/424929729.db2.gz OYDAIUDDZISXGR-QMMMGPOBSA-N 1 0 318.240 2.072 10 0 DEAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1COCCOC1 ZINC000311196258 424894663 /nfs/dbraw/zinc/89/46/63/424894663.db2.gz IFEZFBIZAKBKSA-NSHDSACASA-N 1 0 314.223 2.385 10 0 DEAERO CCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000312642426 424894811 /nfs/dbraw/zinc/89/48/11/424894811.db2.gz DILOEOSJMVTMOE-FZMZJTMJSA-N 1 0 314.476 2.060 10 0 DEAERO Cc1ccc(/C=C/CC(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000084764080 267385277 /nfs/dbraw/zinc/38/52/77/267385277.db2.gz HSQYWEIYHWRDMT-BDUNBXCCSA-N 1 0 315.461 2.150 10 0 DEAERO Cc1cc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)ccc1Br ZINC000657696879 425386811 /nfs/dbraw/zinc/38/68/11/425386811.db2.gz LJLYWMGNQVPYBI-LBPRGKRZSA-N 1 0 311.223 2.325 10 0 DEAERO C[C@@H](Cc1ccsc1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653076307 425397035 /nfs/dbraw/zinc/39/70/35/425397035.db2.gz QXOGZPSZMQNWDA-JMJZKYOTSA-N 1 0 306.353 2.193 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000174170327 267491377 /nfs/dbraw/zinc/49/13/77/267491377.db2.gz RPEWDEAGYGVQPK-HNNXBMFYSA-N 1 0 314.389 2.293 10 0 DEAERO CC(C)C[NH+]1CCC(NC(=O)c2cn3ccnc3s2)CC1 ZINC000188260152 267675594 /nfs/dbraw/zinc/67/55/94/267675594.db2.gz KZVDVMVKEXDEQI-UHFFFAOYSA-N 1 0 306.435 2.246 10 0 DEAERO CCN(CCC[NH+]1CCCC1)C(=O)NCc1cccc(OC)n1 ZINC000190148257 267702458 /nfs/dbraw/zinc/70/24/58/267702458.db2.gz JBFIFEDUGAGOKU-UHFFFAOYSA-N 1 0 320.437 2.108 10 0 DEAERO CN(C)c1noc(CN2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000192768216 267744828 /nfs/dbraw/zinc/74/48/28/267744828.db2.gz AONZVSDSZPPRND-UHFFFAOYSA-N 1 0 321.469 2.224 10 0 DEAERO CN(C(=O)c1cc(F)c(F)c(F)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662977697 425770280 /nfs/dbraw/zinc/77/02/80/425770280.db2.gz BQHRUSHMSMOIFE-QMMMGPOBSA-N 1 0 300.202 2.066 10 0 DEAERO C[C@H](O)CCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227954078 268579140 /nfs/dbraw/zinc/57/91/40/268579140.db2.gz VLHOKOHEBUNHJM-KBPBESRZSA-N 1 0 300.443 2.384 10 0 DEAERO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000328998649 268852652 /nfs/dbraw/zinc/85/26/52/268852652.db2.gz VCZFDEGVWYRVAI-JLJPHGGASA-N 1 0 315.421 2.448 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000333692395 268978004 /nfs/dbraw/zinc/97/80/04/268978004.db2.gz CQIODYDHCBASCB-DDWPSWQVSA-N 1 0 321.396 2.177 10 0 DEAERO c1[nH]nc2c1[C@H](c1nc(CC34CCC[NH+]3CCC4)no1)CCC2 ZINC000333892672 269001336 /nfs/dbraw/zinc/00/13/36/269001336.db2.gz XMRMEYTWFUJEHG-GFCCVEGCSA-N 1 0 313.405 2.432 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)C1 ZINC000334128273 269022675 /nfs/dbraw/zinc/02/26/75/269022675.db2.gz REJMFKVSSQEWPI-RDBSUJKOSA-N 1 0 323.462 2.362 10 0 DEAERO Clc1cnc(NC[C@H]2C[NH2+]CCCO2)c(Br)c1 ZINC000390229805 269097164 /nfs/dbraw/zinc/09/71/64/269097164.db2.gz PBYJFGCKWPLSJK-SECBINFHSA-N 1 0 320.618 2.288 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000390759548 269097805 /nfs/dbraw/zinc/09/78/05/269097805.db2.gz YRKHMNXDWYXKEC-HOCLYGCPSA-N 1 0 304.434 2.486 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@@H]2O)C12CCOCC2 ZINC000186341341 273705475 /nfs/dbraw/zinc/70/54/75/273705475.db2.gz VSGJGDDKGOYFAR-XDNAFOTISA-N 1 0 317.429 2.209 10 0 DEAERO COC[C@H]([NH2+][C@H](C)Cn1ncc2ccccc2c1=O)C(C)C ZINC000090938702 274050882 /nfs/dbraw/zinc/05/08/82/274050882.db2.gz OIDXAJUKWUXIGM-CJNGLKHVSA-N 1 0 303.406 2.046 10 0 DEAERO COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000246738901 274117169 /nfs/dbraw/zinc/11/71/69/274117169.db2.gz PAJINCRQTVOVHO-CWRNSKLLSA-N 1 0 302.418 2.399 10 0 DEAERO COc1nc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc2ccccc21 ZINC000248568173 274167502 /nfs/dbraw/zinc/16/75/02/274167502.db2.gz CBOJVVIEBFCMHX-AEGPPILISA-N 1 0 311.385 2.053 10 0 DEAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000075714585 274313959 /nfs/dbraw/zinc/31/39/59/274313959.db2.gz GOPVWFKIUHRBNR-OLZOCXBDSA-N 1 0 316.380 2.097 10 0 DEAERO O=C(N[C@H]1CCOc2ccccc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173373505 274993264 /nfs/dbraw/zinc/99/32/64/274993264.db2.gz APSPGQNMZQBAHC-HOCLYGCPSA-N 1 0 313.401 2.166 10 0 DEAERO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000414085315 275769705 /nfs/dbraw/zinc/76/97/05/275769705.db2.gz YDPFOSQEIZWCGK-HDMKZQKVSA-N 1 0 315.461 2.489 10 0 DEAERO CCC[C@H]1CN(C(=O)c2c[nH]nc2C(C)C)CC[N@@H+]1CCOC ZINC000189549433 276049145 /nfs/dbraw/zinc/04/91/45/276049145.db2.gz FJEZIMQQRFHICR-AWEZNQCLSA-N 1 0 322.453 2.106 10 0 DEAERO CCN(CC)C(=O)[C@H](c1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178635045 276092327 /nfs/dbraw/zinc/09/23/27/276092327.db2.gz FYHIYKZILKTDDY-MSOLQXFVSA-N 1 0 315.461 2.376 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-n2cccn2)cc1 ZINC000177029160 276181636 /nfs/dbraw/zinc/18/16/36/276181636.db2.gz ZASIQWKAIVOEGK-KRWDZBQOSA-N 1 0 312.417 2.429 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cnc2nc(C)cc(C)n12 ZINC000091892600 276234368 /nfs/dbraw/zinc/23/43/68/276234368.db2.gz ARBJJTNQHKQLPS-CVEARBPZSA-N 1 0 313.449 2.405 10 0 DEAERO CCN(Cc1cccc(NC(=O)CC[C@H]2CC[NH2+]C2)c1)C(C)=O ZINC000261817995 276354434 /nfs/dbraw/zinc/35/44/34/276354434.db2.gz HRDNLDZLSUPQAW-HNNXBMFYSA-N 1 0 317.433 2.383 10 0 DEAERO COC(=O)[C@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000358664460 277120575 /nfs/dbraw/zinc/12/05/75/277120575.db2.gz UBOPBHUCZPSACU-QZTJIDSGSA-N 1 0 316.445 2.438 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCn3ccnc3)C[C@H]12 ZINC000185997357 277203031 /nfs/dbraw/zinc/20/30/31/277203031.db2.gz YNSFERASDMJBGD-QLFBSQMISA-N 1 0 320.437 2.118 10 0 DEAERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ncoc1[C@@H]1CCCO1 ZINC000329352285 277973766 /nfs/dbraw/zinc/97/37/66/277973766.db2.gz DUULBILXOLMYBG-MCIONIFRSA-N 1 0 319.405 2.225 10 0 DEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000090968740 278056571 /nfs/dbraw/zinc/05/65/71/278056571.db2.gz HDHKMEPAJVGPNH-YZOIGVHSSA-N 1 0 308.809 2.379 10 0 DEAERO CC(C)n1nnnc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000113934664 278154948 /nfs/dbraw/zinc/15/49/48/278154948.db2.gz YEWBAJPJPAXJOR-HZPDHXFCSA-N 1 0 320.485 2.340 10 0 DEAERO C[C@@H](CC1CCOCC1)[NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000328628276 278226336 /nfs/dbraw/zinc/22/63/36/278226336.db2.gz HCVAYYBSGXTARB-RRQGHBQHSA-N 1 0 307.438 2.435 10 0 DEAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000450758095 278233646 /nfs/dbraw/zinc/23/36/46/278233646.db2.gz NMAUGRPATLFISA-MSOLQXFVSA-N 1 0 306.450 2.073 10 0 DEAERO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000444787713 278337783 /nfs/dbraw/zinc/33/77/83/278337783.db2.gz YOFUTTBWGWBWLQ-UONOGXRCSA-N 1 0 307.438 2.409 10 0 DEAERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(-n2cncn2)cc1 ZINC000190669346 278340124 /nfs/dbraw/zinc/34/01/24/278340124.db2.gz PKPSBZBAOOXFBJ-CYBMUJFWSA-N 1 0 302.378 2.071 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CCc1ncc(C)s1 ZINC000121201282 279142976 /nfs/dbraw/zinc/14/29/76/279142976.db2.gz KQLBQTIALHFILN-LBPRGKRZSA-N 1 0 312.483 2.366 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCOC3(CCCC3)C2)C1 ZINC000246717328 279321613 /nfs/dbraw/zinc/32/16/13/279321613.db2.gz NZAYJQGOPYQXHN-GJZGRUSLSA-N 1 0 309.454 2.262 10 0 DEAERO Cn1cc(N2CC[C@H]([NH+]3CCC(C(C)(C)C)CC3)C2=O)cn1 ZINC000172032390 279340936 /nfs/dbraw/zinc/34/09/36/279340936.db2.gz AGCUXZBIPDKWKX-HNNXBMFYSA-N 1 0 304.438 2.284 10 0 DEAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000360122753 279363094 /nfs/dbraw/zinc/36/30/94/279363094.db2.gz FOPBBYWURYORLO-ZBFHGGJFSA-N 1 0 321.469 2.385 10 0 DEAERO C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000247396227 280129424 /nfs/dbraw/zinc/12/94/24/280129424.db2.gz MHWVOEHIZFBHTH-RMRKRWHISA-N 1 0 302.418 2.350 10 0 DEAERO CC[C@@H]1CCCCCN1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000119745049 280235836 /nfs/dbraw/zinc/23/58/36/280235836.db2.gz QAEXJOYERBCTEF-MRXNPFEDSA-N 1 0 311.470 2.461 10 0 DEAERO CC[C@@H]1CCCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085822257 280238716 /nfs/dbraw/zinc/23/87/16/280238716.db2.gz LZOVKCBTKPDFBY-LSDHHAIUSA-N 1 0 302.484 2.313 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)C3CCCC3)C2=O)n(C)n1 ZINC000182341438 280551617 /nfs/dbraw/zinc/55/16/17/280551617.db2.gz OZTNLFDXQWDLEA-UKRRQHHQSA-N 1 0 304.438 2.392 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)NCc1cscn1)c1ccccc1 ZINC000051749753 281471744 /nfs/dbraw/zinc/47/17/44/281471744.db2.gz CWWRFLQNNUXCAL-AWEZNQCLSA-N 1 0 304.419 2.245 10 0 DEAERO C[C@H]([NH2+]CCC(=O)N1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000135134742 282062822 /nfs/dbraw/zinc/06/28/22/282062822.db2.gz UUBPHMYTOGYALP-NSHDSACASA-N 1 0 314.788 2.379 10 0 DEAERO C[NH+](C)CCN(C(=O)c1cccc(C(F)(F)F)n1)C1CC1 ZINC000450717662 289125280 /nfs/dbraw/zinc/12/52/80/289125280.db2.gz QQKWAVPUYBFJRL-UHFFFAOYSA-N 1 0 301.312 2.267 10 0 DEAERO Cn1nccc1[C@@H]1CCCCN1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000342122569 289325418 /nfs/dbraw/zinc/32/54/18/289325418.db2.gz WIXCBNHZDRYNPO-LZWOXQAQSA-N 1 0 319.453 2.139 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000180595534 289383173 /nfs/dbraw/zinc/38/31/73/289383173.db2.gz RIFMXUQFWBROQZ-DZGCQCFKSA-N 1 0 321.396 2.385 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCC(C)(C)O2)C1 ZINC000249391685 290173972 /nfs/dbraw/zinc/17/39/72/290173972.db2.gz ADDSDCOKWQPHDD-RRFJBIMHSA-N 1 0 309.454 2.070 10 0 DEAERO C[C@H](Oc1cccnc1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000117657752 290187409 /nfs/dbraw/zinc/18/74/09/290187409.db2.gz ZJAKWAPNXCOEBL-JKSUJKDBSA-N 1 0 317.433 2.326 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ncncc2Br)C1 ZINC000229959870 290240735 /nfs/dbraw/zinc/24/07/35/290240735.db2.gz DEZMKRXJFWVXIL-JQWIXIFHSA-N 1 0 311.227 2.160 10 0 DEAERO CO[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[C@@H]1C ZINC000187711332 293817147 /nfs/dbraw/zinc/81/71/47/293817147.db2.gz YYFGLUXTPVDJLH-USXIJHARSA-N 1 0 304.434 2.043 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000261602137 295214706 /nfs/dbraw/zinc/21/47/06/295214706.db2.gz CAWIEKILATXEKZ-ZBAHALTISA-N 1 0 300.402 2.012 10 0 DEAERO [NH3+]C[C@H]1CCCCN1c1ccc(I)cn1 ZINC000420167241 295265914 /nfs/dbraw/zinc/26/59/14/295265914.db2.gz JLCPGKZWLPJJBP-SNVBAGLBSA-N 1 0 317.174 2.004 10 0 DEAERO COc1ccccc1N1CC[C@H]([N@@H+]2[C@H](C)CCC[C@@H]2CO)C1=O ZINC000248785980 295371494 /nfs/dbraw/zinc/37/14/94/295371494.db2.gz WMDGIDOKSKLAJZ-FMKPAKJESA-N 1 0 318.417 2.036 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000249133109 297540631 /nfs/dbraw/zinc/54/06/31/297540631.db2.gz MPSOYOFQBPKPGI-HJWJTTGWSA-N 1 0 302.418 2.411 10 0 DEAERO C[C@H](CC1CCOCC1)[NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000328628277 298364612 /nfs/dbraw/zinc/36/46/12/298364612.db2.gz HCVAYYBSGXTARB-XOKHGSTOSA-N 1 0 307.438 2.435 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c(C)c1 ZINC000070177446 301192990 /nfs/dbraw/zinc/19/29/90/301192990.db2.gz FUXYOAALGKVVLB-DOMZBBRYSA-N 1 0 310.463 2.360 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])c(Cl)cc1F ZINC000237791171 301398904 /nfs/dbraw/zinc/39/89/04/301398904.db2.gz XPRKIYBJADTARY-JOYOIKCWSA-N 1 0 320.817 2.193 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000262575356 301771024 /nfs/dbraw/zinc/77/10/24/301771024.db2.gz ILIUPNMUGPXZCT-ZACQAIPSSA-N 1 0 302.418 2.283 10 0 DEAERO Cc1cnc([C@H](C)NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000262495036 302372223 /nfs/dbraw/zinc/37/22/23/302372223.db2.gz LGWOGNZSLRMLFV-MEQWQQMJSA-N 1 0 323.462 2.161 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000299992261 325752716 /nfs/dbraw/zinc/75/27/16/325752716.db2.gz WPFIPBJGOHFPBL-QLFBSQMISA-N 1 0 312.454 2.384 10 0 DEAERO c1ccc(-c2nc([C@H]3CCCN3C[C@H]3COCCO3)n[nH]2)cc1 ZINC000574898181 326197780 /nfs/dbraw/zinc/19/77/80/326197780.db2.gz IIUQZRCJSRBZNM-LSDHHAIUSA-N 1 0 314.389 2.024 10 0 DEAERO C[C@@](O)(C[NH2+]C1CCN(c2cnccn2)CC1)C1CCCCC1 ZINC000574959085 326204399 /nfs/dbraw/zinc/20/43/99/326204399.db2.gz QLRVPKNJSNQWOX-GOSISDBHSA-N 1 0 318.465 2.366 10 0 DEAERO COC[C@H](C)C[N@@H+]1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000189519650 333098062 /nfs/dbraw/zinc/09/80/62/333098062.db2.gz IJNFRHRXESQFFI-MRXNPFEDSA-N 1 0 306.450 2.485 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000389372127 336033183 /nfs/dbraw/zinc/03/31/83/336033183.db2.gz FGKRFCJTWFIPEX-UFBFGSQYSA-N 1 0 302.205 2.353 10 0 DEAERO COC[C@@H](C)C[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190585698 336264299 /nfs/dbraw/zinc/26/42/99/336264299.db2.gz KUYIYCACHDYYJG-AWEZNQCLSA-N 1 0 314.470 2.007 10 0 DEAERO COC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398002293 337303526 /nfs/dbraw/zinc/30/35/26/337303526.db2.gz XAAWODNGUAZXMI-HOCLYGCPSA-N 1 0 304.434 2.438 10 0 DEAERO c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000584411291 337321190 /nfs/dbraw/zinc/32/11/90/337321190.db2.gz VVEVYWWJCCJARS-INIZCTEOSA-N 1 0 320.400 2.349 10 0 DEAERO COc1cccc([C@H](CNC(=O)[C@H]2CCOC[C@@H]2C)[NH+](C)C)c1 ZINC000195335817 533779061 /nfs/dbraw/zinc/77/90/61/533779061.db2.gz AZOLPOBOCGABHL-JQFCIGGWSA-N 1 0 320.433 2.087 10 0 DEAERO C[C@H]1C[N@H+](CCCCCOc2ccccc2)CCN1CCO ZINC000188587890 533927549 /nfs/dbraw/zinc/92/75/49/533927549.db2.gz IPMFZFXKVAVDCF-KRWDZBQOSA-N 1 0 306.450 2.234 10 0 DEAERO C[C@@H]1C[C@H](NCc2ncc(Br)s2)CC[N@@H+]1C ZINC000309762983 533959565 /nfs/dbraw/zinc/95/95/65/533959565.db2.gz JCDKLPGOYAWAGM-RKDXNWHRSA-N 1 0 304.257 2.478 10 0 DEAERO CC(=O)c1ccc(OCCCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170859834 518395023 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312.845 2.261 10 0 DEAERO O=C(CCC1CC[NH2+]CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000237966638 648452344 /nfs/dbraw/zinc/45/23/44/648452344.db2.gz HFIRIMSTBABICK-UHFFFAOYSA-N 1 0 315.417 2.297 10 0 DEAERO CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cc[nH+]cc1 ZINC000180528718 648495999 /nfs/dbraw/zinc/49/59/99/648495999.db2.gz QBMXBOMVEXWWTN-WCQYABFASA-N 1 0 322.409 2.464 10 0 DEAERO Cn1ccc(CC(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000183199533 649046436 /nfs/dbraw/zinc/04/64/36/649046436.db2.gz YXJZYSHNXAZHCP-KRWDZBQOSA-N 1 0 313.401 2.170 10 0 DEAERO CCN(CCCc1nc(-c2cccs2)no1)[C@H]1CC[NH2+]C1 ZINC000071313091 649076027 /nfs/dbraw/zinc/07/60/27/649076027.db2.gz IJKHNAAVNMUKPJ-LBPRGKRZSA-N 1 0 306.435 2.415 10 0 DEAERO C=COCCOC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000183741294 649149729 /nfs/dbraw/zinc/14/97/29/649149729.db2.gz BKOCYJFDRVAOCX-UHFFFAOYSA-N 1 0 304.390 2.145 10 0 DEAERO COc1cc(Cl)cc(CN(C)CC(=O)NC(C)(C)C)c1O ZINC000184675400 649343777 /nfs/dbraw/zinc/34/37/77/649343777.db2.gz SCENZSZFWCKFKP-UHFFFAOYSA-N 1 0 314.813 2.401 10 0 DEAERO CCOC(=O)CN1CCC(COC(=O)[C@@H](C)CC(C)C)CC1 ZINC000184889516 649404013 /nfs/dbraw/zinc/40/40/13/649404013.db2.gz AIYWPNFHQBTHNK-AWEZNQCLSA-N 1 0 313.438 2.487 10 0 DEAERO CC[C@H]([NH3+])CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000111304721 652545449 /nfs/dbraw/zinc/54/54/49/652545449.db2.gz PAVPRKVPMASNHX-QMMMGPOBSA-N 1 0 314.304 2.268 10 0 DEAERO Oc1ccc(Br)c(C[NH2+]C[C@H]2CCC[C@@H]2O)c1 ZINC000305133059 685276888 /nfs/dbraw/zinc/27/68/88/685276888.db2.gz RXHXDJHXLORMIG-RNCFNFMXSA-N 1 0 300.196 2.405 10 0 DEAERO COC1CC([NH2+]Cc2ncc(I)s2)C1 ZINC000379612349 685392306 /nfs/dbraw/zinc/39/23/06/685392306.db2.gz VMEPJMJTMQLJCJ-UHFFFAOYSA-N 1 0 324.187 2.015 10 0 DEAERO CCS(=O)(=O)CC[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379659216 685393005 /nfs/dbraw/zinc/39/30/05/685393005.db2.gz ZDXHNENWEQSOMO-KRWDZBQOSA-N 1 0 324.490 2.065 10 0 DEAERO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(N)[nH+]1 ZINC000379700229 685393529 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C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCc1cnccn1 ZINC000390234125 685438891 /nfs/dbraw/zinc/43/88/91/685438891.db2.gz SORVHCIKECBYPL-ZFWWWQNUSA-N 1 0 320.437 2.254 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCc1cnccn1 ZINC000390233613 685439156 /nfs/dbraw/zinc/43/91/56/685439156.db2.gz SORVHCIKECBYPL-HIFRSBDPSA-N 1 0 320.437 2.254 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CCc1cnccn1 ZINC000390208523 685439462 /nfs/dbraw/zinc/43/94/62/685439462.db2.gz NIUIQPJMTSASBE-CQSZACIVSA-N 1 0 306.410 2.008 10 0 DEAERO COc1ccc(NC(=[NH2+])NCCCN2CCCC2=O)cc1Cl ZINC000104152485 684058674 /nfs/dbraw/zinc/05/86/74/684058674.db2.gz KXXCEXYWIGEIFG-UHFFFAOYSA-N 1 0 324.812 2.088 10 0 DEAERO CCCCCC[N@H+](CCN1CCOCC1)Cc1cncnc1 ZINC000120091106 684091876 /nfs/dbraw/zinc/09/18/76/684091876.db2.gz JWBYTHLZIKMBGX-UHFFFAOYSA-N 1 0 306.454 2.191 10 0 DEAERO CCc1ccc(CN2CC[NH+](CCC3OCCO3)CC2)s1 ZINC000124371321 684134911 /nfs/dbraw/zinc/13/49/11/684134911.db2.gz SDVGPXMHRFHNPD-UHFFFAOYSA-N 1 0 310.463 2.191 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)COc2ccccc2C=O)CC1 ZINC000129359023 684178717 /nfs/dbraw/zinc/17/87/17/684178717.db2.gz UHZTZGQOHJUIEG-UHFFFAOYSA-N 1 0 318.417 2.115 10 0 DEAERO C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CCS1 ZINC000131690478 684201626 /nfs/dbraw/zinc/20/16/26/684201626.db2.gz NYAPRRBRXJXGOB-SMDDNHRTSA-N 1 0 303.431 2.002 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(Br)c2)C1 ZINC000135385420 684235141 /nfs/dbraw/zinc/23/51/41/684235141.db2.gz WZXBOGCWZBIQRT-LLVKDONJSA-N 1 0 312.211 2.058 10 0 DEAERO COc1cccc(N2CC[C@H](CNC(=O)CCCCC[NH3+])C2)c1 ZINC000155621397 684277272 /nfs/dbraw/zinc/27/72/72/684277272.db2.gz NYBJBPOOYDXXOB-OAHLLOKOSA-N 1 0 319.449 2.157 10 0 DEAERO [NH3+]CCCCCC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000155819035 684281188 /nfs/dbraw/zinc/28/11/88/684281188.db2.gz DLGVIKCOMPGPFK-GFCCVEGCSA-N 1 0 311.376 2.179 10 0 DEAERO CCS(=O)(=O)CCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190188411 684398138 /nfs/dbraw/zinc/39/81/38/684398138.db2.gz QRWJOPHRUXIUSB-SNVBAGLBSA-N 1 0 301.374 2.332 10 0 DEAERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CCC(C)=O)CC1 ZINC000190355802 684403478 /nfs/dbraw/zinc/40/34/78/684403478.db2.gz NYPVVSXLDXWHCQ-UHFFFAOYSA-N 1 0 312.454 2.094 10 0 DEAERO CCN(C)c1ccc(C[NH2+]Cc2cccnc2-n2ccnc2)cn1 ZINC000190750640 684412965 /nfs/dbraw/zinc/41/29/65/684412965.db2.gz OLOKMMHAMBGXAX-UHFFFAOYSA-N 1 0 322.416 2.408 10 0 DEAERO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccn1C ZINC000194971383 685083011 /nfs/dbraw/zinc/08/30/11/685083011.db2.gz ZPTXGVCLRCOBHQ-UHFFFAOYSA-N 1 0 312.417 2.338 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc([C@@H](C)O)cc2)C1 ZINC000195087440 685086789 /nfs/dbraw/zinc/08/67/89/685086789.db2.gz QHLQSWOUEYNSJS-CZUORRHYSA-N 1 0 305.422 2.023 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1c2ccc(Cl)cc2oc1=O ZINC000247011955 685140809 /nfs/dbraw/zinc/14/08/09/685140809.db2.gz IZZDMCZXYATZSK-AAEUAGOBSA-N 1 0 321.808 2.374 10 0 DEAERO Cc1ccc(N2CCC[C@H](N3CC[N@@H+]4CCC[C@H]4C3)C2=O)cc1 ZINC000247640849 685151356 /nfs/dbraw/zinc/15/13/56/685151356.db2.gz SWKAXKKEZIFXST-ROUUACIJSA-N 1 0 313.445 2.270 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C[C@@H](O)c1ccco1 ZINC000247658329 685152000 /nfs/dbraw/zinc/15/20/00/685152000.db2.gz PTJQDHOGVUBEIM-BFHYXJOUSA-N 1 0 311.426 2.121 10 0 DEAERO COC(=O)c1nn(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)c2ccccc21 ZINC000249466111 685180670 /nfs/dbraw/zinc/18/06/70/685180670.db2.gz GTEQGVBPCFBGQV-IUODEOHRSA-N 1 0 317.389 2.137 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1CCC[C@H]1O)c1cccc(C(F)(F)F)c1 ZINC000250090152 685189351 /nfs/dbraw/zinc/18/93/51/685189351.db2.gz WVMPKEGHIGINAK-IACUBPJLSA-N 1 0 303.324 2.489 10 0 DEAERO CC[C@@H]1CN(c2ccccc2S(=O)(=O)C(F)F)CC[C@H]1[NH3+] ZINC000251562938 685191427 /nfs/dbraw/zinc/19/14/27/685191427.db2.gz BOLGKQUMMJWDII-GHMZBOCLSA-N 1 0 318.389 2.247 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C)cc3)C2=O)CC[C@H]1C ZINC000251701433 685192130 /nfs/dbraw/zinc/19/21/30/685192130.db2.gz JYQIAAOQTNXMDR-DJIMGWMZSA-N 1 0 302.418 2.457 10 0 DEAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000270621843 685204397 /nfs/dbraw/zinc/20/43/97/685204397.db2.gz OYNCUIKIVZZUGJ-UONOGXRCSA-N 1 0 318.446 2.117 10 0 DEAERO c1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc2c1OCO2 ZINC000274036209 685208158 /nfs/dbraw/zinc/20/81/58/685208158.db2.gz QBNDFUQTBNBTPV-FZMZJTMJSA-N 1 0 315.329 2.001 10 0 DEAERO CC(=O)N1C[C@@H]([NH2+]C2CC(OC(C)C)C2)CC[C@H]1C(F)(F)F ZINC000886052229 691993546 /nfs/dbraw/zinc/99/35/46/691993546.db2.gz BBPCNONYXDKXAK-ABXWRUBCSA-N 1 0 322.371 2.474 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C)C1CC1 ZINC000886085604 692000375 /nfs/dbraw/zinc/00/03/75/692000375.db2.gz VNMQESGOEHAXLI-DJSGYFEHSA-N 1 0 302.422 2.003 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1Nc1ccc(I)cn1 ZINC000721987583 782496078 /nfs/dbraw/zinc/49/60/78/782496078.db2.gz DMFNNKFCOZZNEZ-SECBINFHSA-N 1 0 317.174 2.096 10 0 DEAERO FC(F)(F)[C@@H]1CC[C@@H](C[NH+]2CCC(C3OCCO3)CC2)O1 ZINC000721464834 777053519 /nfs/dbraw/zinc/05/35/19/777053519.db2.gz FFRRJLJGCXEQNU-RYUDHWBXSA-N 1 0 309.328 2.181 10 0 DEAERO FC(F)(F)[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](C3OCCO3)C2)O1 ZINC000721476223 777094746 /nfs/dbraw/zinc/09/47/46/777094746.db2.gz LUEBMDCBRRFHFF-TUAOUCFPSA-N 1 0 309.328 2.181 10 0 DEAERO C[C@](O)(C[NH2+]C[C@@H](O)c1ccsc1)C(F)(F)C(F)(F)F ZINC000724056607 777232226 /nfs/dbraw/zinc/23/22/26/777232226.db2.gz FPOAHKOQCXYSER-BDAKNGLRSA-N 1 0 319.295 2.320 10 0 DEAERO C[C@](O)(C[NH2+][C@@H](CO)C1CCCC1)C(F)(F)C(F)(F)F ZINC000724114986 777244678 /nfs/dbraw/zinc/24/46/78/777244678.db2.gz PXSVYFKFGWEVND-UWVGGRQHSA-N 1 0 305.287 2.076 10 0 DEAERO CCO[C@H]1CCC[C@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000724624630 777406170 /nfs/dbraw/zinc/40/61/70/777406170.db2.gz DDNAHVOHFVLJFS-MJBXVCDLSA-N 1 0 314.426 2.475 10 0 DEAERO Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000724942688 777530334 /nfs/dbraw/zinc/53/03/34/777530334.db2.gz HLSJVQAAXLFMQQ-CHWSQXEVSA-N 1 0 306.410 2.445 10 0 DEAERO CN(Cc1ccccc1)CC(C)(C)[NH2+]CCO[C@@H]1CCOC1 ZINC000724987864 777549376 /nfs/dbraw/zinc/54/93/76/777549376.db2.gz YJRAZDBTSIEFCJ-QGZVFWFLSA-N 1 0 306.450 2.292 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000725115449 777589436 /nfs/dbraw/zinc/58/94/36/777589436.db2.gz UBMDVFPAPCJSHK-SKDRFNHKSA-N 1 0 302.465 2.113 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000722251161 778551226 /nfs/dbraw/zinc/55/12/26/778551226.db2.gz CLPYVIPGVGQUAV-BARDWOONSA-N 1 0 311.470 2.314 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NC2(C[NH3+])CCCC2)c1C ZINC000722567433 778788697 /nfs/dbraw/zinc/78/86/97/778788697.db2.gz NCPJRBIRJZAXPH-UHFFFAOYSA-N 1 0 302.465 2.223 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NC2CCC([NH3+])CC2)c1C ZINC000722571348 778791292 /nfs/dbraw/zinc/79/12/92/778791292.db2.gz SEYWGKJQFDPCTJ-UHFFFAOYSA-N 1 0 302.465 2.222 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000721859313 780395273 /nfs/dbraw/zinc/39/52/73/780395273.db2.gz HBAIDXLJZOEFPA-TZMCWYRMSA-N 1 0 320.437 2.174 10 0 DEAERO CCOC1CC2(C[C@H]2[NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC000721242472 781741623 /nfs/dbraw/zinc/74/16/23/781741623.db2.gz FKPUXQIITRLQIJ-RZZCCWGQSA-N 1 0 305.418 2.111 10 0 DEAERO CC(C)c1nnc2n1CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)[C@@H]2C ZINC000439776383 781808142 /nfs/dbraw/zinc/80/81/42/781808142.db2.gz VUKFIFOTRNULKK-MGPQQGTHSA-N 1 0 319.453 2.178 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1C ZINC000722593205 787335184 /nfs/dbraw/zinc/33/51/84/787335184.db2.gz DHOVLEUWVGVKQF-GFCCVEGCSA-N 1 0 316.492 2.340 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H]2O)C1 ZINC000724103409 787349084 /nfs/dbraw/zinc/34/90/84/787349084.db2.gz PXCAXJLKPCGULK-KBXIAJHMSA-N 1 0 312.454 2.430 10 0 DEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Br)nn2C)C[C@H](C)O1 ZINC000724258370 787351259 /nfs/dbraw/zinc/35/12/59/787351259.db2.gz DONVDRFZVOHXEO-JGPRNRPPSA-N 1 0 316.243 2.476 10 0 DEAERO c1ccc(CN2CCC([NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 ZINC000724627711 787352064 /nfs/dbraw/zinc/35/20/64/787352064.db2.gz JQIQOHZSTBSPNF-NEWSRXKRSA-N 1 0 316.445 2.045 10 0 DEAERO CC1(C)C[C@@H]([NH2+]C2CN(C(=O)OCc3ccccc3)C2)CO1 ZINC000397333841 790175787 /nfs/dbraw/zinc/17/57/87/790175787.db2.gz SBYGZSUPXSERSG-CQSZACIVSA-N 1 0 304.390 2.165 10 0 DEAERO Cn1cc(CNC[C@H]2CCCC[N@H+](C)C2)c(Br)n1 ZINC000712459046 792188446 /nfs/dbraw/zinc/18/84/46/792188446.db2.gz BUGNAWAXNYYQPE-LLVKDONJSA-N 1 0 315.259 2.004 10 0 DEAERO CO[C@H](C[NH2+]Cc1cn(C)nc1Br)C1CCCC1 ZINC000712459481 792188813 /nfs/dbraw/zinc/18/88/13/792188813.db2.gz OPKQYDYGHQSNOK-GFCCVEGCSA-N 1 0 316.243 2.477 10 0 DEAERO Cn1cc(C[NH2+]CCOCc2ccccc2)c(Br)n1 ZINC000712463349 792190637 /nfs/dbraw/zinc/19/06/37/792190637.db2.gz ZWQCJQRTJQOYDA-UHFFFAOYSA-N 1 0 324.222 2.489 10 0 DEAERO CC(C)[N@@H+](C)C[C@H](C)NCc1cn(C)nc1Br ZINC000712490826 792190779 /nfs/dbraw/zinc/19/07/79/792190779.db2.gz KZMNMUPWANQUTA-JTQLQIEISA-N 1 0 303.248 2.001 10 0 DEAERO Cn1cc(C[NH2+][C@@H](CO)CC(C)(C)C)c(Br)n1 ZINC000712490704 792191057 /nfs/dbraw/zinc/19/10/57/792191057.db2.gz IZRLJPNLOCADGR-SNVBAGLBSA-N 1 0 304.232 2.069 10 0 DEAERO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000712513415 792192618 /nfs/dbraw/zinc/19/26/18/792192618.db2.gz JLNGKHBNEACMBV-UHFFFAOYSA-N 1 0 320.817 2.242 10 0 DEAERO CCN1CC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000712610250 792193247 /nfs/dbraw/zinc/19/32/47/792193247.db2.gz YFWAQXBXHGZBCD-SJORKVTESA-N 1 0 317.433 2.081 10 0 DEAERO CN1CC[C@@H]1C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000712568405 792201798 /nfs/dbraw/zinc/20/17/98/792201798.db2.gz CXUQBMREBLCDCF-MCIONIFRSA-N 1 0 309.454 2.116 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713214853 792216118 /nfs/dbraw/zinc/21/61/18/792216118.db2.gz MOKUIJSTWICVMC-ZDMBXUJBSA-N 1 0 313.195 2.128 10 0 DEAERO Cc1c(Br)cccc1NC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713791598 792245742 /nfs/dbraw/zinc/24/57/42/792245742.db2.gz FSKOSSOWAYXJJY-NXEZZACHSA-N 1 0 313.195 2.060 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713875862 792245752 /nfs/dbraw/zinc/24/57/52/792245752.db2.gz XEZRIGYLTRATCU-CMPLNLGQSA-N 1 0 317.216 2.316 10 0 DEAERO [NH3+]C[C@@H]1C[C@H](C(=O)Nc2ccc(SC(F)F)cc2)CO1 ZINC000713851107 792261082 /nfs/dbraw/zinc/26/10/82/792261082.db2.gz RDSVWAUGZUXFPW-WPRPVWTQSA-N 1 0 302.346 2.304 10 0 DEAERO COc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c(F)c1 ZINC000714252229 792306324 /nfs/dbraw/zinc/30/63/24/792306324.db2.gz YVJOPFYGFYPREE-CKYFFXLPSA-N 1 0 301.383 2.061 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)s1 ZINC000714452287 792322196 /nfs/dbraw/zinc/32/21/96/792322196.db2.gz KCEYYNJKVWRAFZ-UHFFFAOYSA-N 1 0 316.492 2.442 10 0 DEAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]Cc2ccc(CO)o2)C1 ZINC000715066059 792379347 /nfs/dbraw/zinc/37/93/47/792379347.db2.gz FGRNSVHEEJOOOT-UHFFFAOYSA-N 1 0 310.394 2.165 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCCCC1CC1 ZINC000716418447 792957182 /nfs/dbraw/zinc/95/71/82/792957182.db2.gz YZWWIYBMFRBWBU-KRWDZBQOSA-N 1 0 303.450 2.142 10 0 DEAERO NC(=O)C1CC([NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000716715306 793003765 /nfs/dbraw/zinc/00/37/65/793003765.db2.gz FZBBMVNLYSGSJM-QXUHLLMWSA-N 1 0 315.236 2.351 10 0 DEAERO NC(=O)C1CC([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000716756148 793005032 /nfs/dbraw/zinc/00/50/32/793005032.db2.gz VVRUXFUHMKUTMG-RPTIHFLNSA-N 1 0 309.207 2.290 10 0 DEAERO CC(=O)c1cc(F)cc(CN(C)C2CCS(=O)CC2)c1O ZINC000079463247 797734532 /nfs/dbraw/zinc/73/45/32/797734532.db2.gz WZLFGTNCBCNKRB-UHFFFAOYSA-N 1 0 313.394 2.077 10 0 DEAERO [NH3+][C@H]1CN(c2ncnc3sccc32)CC[C@@H]1C(F)(F)F ZINC000717089671 799193965 /nfs/dbraw/zinc/19/39/65/799193965.db2.gz HBPUSCQJCSKCON-IUCAKERBSA-N 1 0 302.325 2.407 10 0 DEAERO CO[C@@H]1CN(C(=O)c2cscc2C(F)F)[C@](C)(C[NH3+])C1 ZINC000717219869 799261616 /nfs/dbraw/zinc/26/16/16/799261616.db2.gz GFADSIHIQKWNIN-SDBXPKJASA-N 1 0 304.362 2.264 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000717325341 799380495 /nfs/dbraw/zinc/38/04/95/799380495.db2.gz GASNOSCMCMECIN-SNVBAGLBSA-N 1 0 316.243 2.477 10 0 DEAERO C[C@H]1CCC(C)(C)C[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000717546929 799424574 /nfs/dbraw/zinc/42/45/74/799424574.db2.gz JECQXUHKIJCDGD-GXTWGEPZSA-N 1 0 302.484 2.215 10 0 DEAERO C[C@@H]([NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccco1 ZINC000178382737 801678974 /nfs/dbraw/zinc/67/89/74/801678974.db2.gz NKHBAUOMJHKNDK-PIGZYNQJSA-N 1 0 313.357 2.185 10 0 DEAERO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)NC(=O)NCc1ccco1 ZINC000302754735 801692852 /nfs/dbraw/zinc/69/28/52/801692852.db2.gz ORMSVPGIOQXYEF-UKRRQHHQSA-N 1 0 319.405 2.260 10 0 DEAERO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cnc(Cl)cn1 ZINC000178739861 801694562 /nfs/dbraw/zinc/69/45/62/801694562.db2.gz MJIIEKUKUHCWBP-LBPRGKRZSA-N 1 0 308.813 2.124 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400769656 801801596 /nfs/dbraw/zinc/80/15/96/801801596.db2.gz ZUUCFIYYKKMULP-DOMZBBRYSA-N 1 0 312.454 2.383 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCCC3)s1 ZINC000401597206 801833668 /nfs/dbraw/zinc/83/36/68/801833668.db2.gz BPWACVFTJGLGDY-LLVKDONJSA-N 1 0 300.449 2.010 10 0 DEAERO C[C@H](O)CCC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401709539 801845302 /nfs/dbraw/zinc/84/53/02/801845302.db2.gz CZUPGICBDVSXCK-IHRRRGAJSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCn2ccnc2)CN(C(=O)OC(C)(C)C)C1 ZINC000401726743 801846219 /nfs/dbraw/zinc/84/62/19/801846219.db2.gz MDZYZROFROPMHM-KBPBESRZSA-N 1 0 308.426 2.118 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401759246 801848039 /nfs/dbraw/zinc/84/80/39/801848039.db2.gz AYUGFNFJQKPEKJ-RWMBFGLXSA-N 1 0 316.442 2.229 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CC(C)(C)CO)CN(C(=O)OC(C)(C)C)C1 ZINC000401767304 801850042 /nfs/dbraw/zinc/85/00/42/801850042.db2.gz MIADFQCGBNJFSC-STQMWFEESA-N 1 0 300.443 2.240 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C2CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401786731 801852209 /nfs/dbraw/zinc/85/22/09/801852209.db2.gz ABRXVARYHVNWHD-IFIJOSMWSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCC2(CO)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401804346 801852764 /nfs/dbraw/zinc/85/27/64/801852764.db2.gz PIHWKJAKLOVDCZ-ZIAGYGMSSA-N 1 0 312.454 2.384 10 0 DEAERO Cn1ccnc1C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000404629089 802026695 /nfs/dbraw/zinc/02/66/95/802026695.db2.gz FDXJLZWUWXYEHK-QWHCGFSZSA-N 1 0 320.437 2.346 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cn[nH]c2)C12CCC2 ZINC000405337766 802053263 /nfs/dbraw/zinc/05/32/63/802053263.db2.gz GICYKHGTLPDZDG-QWHCGFSZSA-N 1 0 306.410 2.335 10 0 DEAERO c1cn(CCCC[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000079923673 1080907957 /nfs/dbraw/zinc/90/79/57/1080907957.db2.gz SSMRVBOAJGVTLW-UHFFFAOYSA-N 1 0 314.433 2.290 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)CCC(C)(C)C2CC2)C[C@H]1C[NH3+] ZINC000717976404 1081854530 /nfs/dbraw/zinc/85/45/30/1081854530.db2.gz OJHIQKJTMLSRJL-CHWSQXEVSA-N 1 0 302.484 2.059 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1cnn(C)c1 ZINC000721040745 1085635345 /nfs/dbraw/zinc/63/53/45/1085635345.db2.gz CXEPHXKWADAGDD-UKRRQHHQSA-N 1 0 322.453 2.403 10 0 DEAERO Cn1cc(C[NH2+]CC[C@@H](O)c2ccccc2)c(Br)n1 ZINC000720657400 1085817552 /nfs/dbraw/zinc/81/75/52/1085817552.db2.gz SGLUODCOZQCYHR-CYBMUJFWSA-N 1 0 324.222 2.396 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cncc(Br)c1 ZINC000720819106 1086169710 /nfs/dbraw/zinc/16/97/10/1086169710.db2.gz YHHUWJOIPWKRBH-STQMWFEESA-N 1 0 324.222 2.153 10 0 DEAERO C[C@H]1CCC[C@@H](C[NH2+]CCS(=O)(=O)C2CCCCC2)O1 ZINC000700003524 1086300778 /nfs/dbraw/zinc/30/07/78/1086300778.db2.gz DAEPWWOVOVPISG-KBPBESRZSA-N 1 0 303.468 2.281 10 0 DEAERO CCn1cncc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000700736613 1086331489 /nfs/dbraw/zinc/33/14/89/1086331489.db2.gz KNFSSKBWSUPDNB-GXTWGEPZSA-N 1 0 308.426 2.391 10 0 DEAERO Cc1cnn(C)c1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701924882 1086396238 /nfs/dbraw/zinc/39/62/38/1086396238.db2.gz PXLUQJOWBOVIRR-UHFFFAOYSA-N 1 0 320.437 2.218 10 0 DEAERO CNC(=S)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000703556731 1086517609 /nfs/dbraw/zinc/51/76/09/1086517609.db2.gz PXUPYULVNDCXDK-HNNXBMFYSA-N 1 0 303.475 2.383 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](NC(=O)/C=C\c2ccc(Br)o2)C1 ZINC000704291572 1086577260 /nfs/dbraw/zinc/57/72/60/1086577260.db2.gz QBHRHJQOCIBMFI-LZDAAXCASA-N 1 0 313.195 2.441 10 0 DEAERO COC[C@H](C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000704391558 1086579346 /nfs/dbraw/zinc/57/93/46/1086579346.db2.gz KKOFNMRJDXXQAW-BHYGNILZSA-N 1 0 318.417 2.222 10 0 DEAERO COC[C@H](C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000704448191 1086580025 /nfs/dbraw/zinc/58/00/25/1086580025.db2.gz BVYKLBDYINBCJF-HOCLYGCPSA-N 1 0 306.406 2.412 10 0 DEAERO CC(C)C1(C[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000705086569 1086600864 /nfs/dbraw/zinc/60/08/64/1086600864.db2.gz QLJOJPXZGKJVQR-KRWDZBQOSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000705216335 1086607212 /nfs/dbraw/zinc/60/72/12/1086607212.db2.gz DVGOGHFFSAFQBC-MCIONIFRSA-N 1 0 310.438 2.401 10 0 DEAERO CN(CCCCCC[NH3+])S(=O)(=O)Cc1ccccc1F ZINC000710715143 1086688209 /nfs/dbraw/zinc/68/82/09/1086688209.db2.gz ZGUHBKJXLLDZJN-UHFFFAOYSA-N 1 0 302.415 2.106 10 0 DEAERO Cn1nc(Br)cc1C[NH2+]CCCc1ccccn1 ZINC000710469757 1086688687 /nfs/dbraw/zinc/68/86/87/1086688687.db2.gz OGKMKIQXOFSNRR-UHFFFAOYSA-N 1 0 309.211 2.300 10 0 DEAERO CN(CCCCCC[NH3+])S(=O)(=O)c1ccccc1Cl ZINC000710683409 1086688761 /nfs/dbraw/zinc/68/87/61/1086688761.db2.gz HCXNFPLSVNCADY-UHFFFAOYSA-N 1 0 304.843 2.480 10 0 DEAERO Cc1nn(C)c(C)c1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711442296 1087110955 /nfs/dbraw/zinc/11/09/55/1087110955.db2.gz WBPDPRFHZCEHCD-OKILXGFUSA-N 1 0 322.453 2.430 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC000711510693 1087146149 /nfs/dbraw/zinc/14/61/49/1087146149.db2.gz ZSYFBJIMKXNCFL-GRYCIOLGSA-N 1 0 320.380 2.304 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c(Cl)c1 ZINC000711580879 1087160248 /nfs/dbraw/zinc/16/02/48/1087160248.db2.gz BZNNHBDZDOHJBE-KGLIPLIRSA-N 1 0 314.838 2.211 10 0 DEAERO Cn1cc(C[NH2+][C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cn1 ZINC000711637539 1087179371 /nfs/dbraw/zinc/17/93/71/1087179371.db2.gz ADXORLGWLCBGCV-YOEHRIQHSA-N 1 0 320.437 2.442 10 0 DEAERO Cn1cncc1C[NH2+][C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711640750 1087184696 /nfs/dbraw/zinc/18/46/96/1087184696.db2.gz QHTOWTHFHGBVQK-RHSMWYFYSA-N 1 0 320.437 2.442 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2cccc(Br)c2F)C1 ZINC000718496502 1088559359 /nfs/dbraw/zinc/55/93/59/1088559359.db2.gz GCQRTZWYEMHUAI-UHFFFAOYSA-N 1 0 315.186 2.332 10 0 DEAERO Cc1nc(C[NH2+]CCc2cnccn2)sc1Br ZINC000719256809 1088914291 /nfs/dbraw/zinc/91/42/91/1088914291.db2.gz KZRRACUZKWPSSE-UHFFFAOYSA-N 1 0 313.224 2.336 10 0 DEAERO Cc1nc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)sc1Br ZINC000719272560 1088916112 /nfs/dbraw/zinc/91/61/12/1088916112.db2.gz DOQWXKCDRRXFDX-HTQZYQBOSA-N 1 0 305.241 2.463 10 0 DEAERO CO[C@]1(C[NH2+]C[C@@H](O)c2c(F)cccc2F)CCSC1 ZINC000719323619 1088953265 /nfs/dbraw/zinc/95/32/65/1088953265.db2.gz KUAULRBHWFNBLA-OCCSQVGLSA-N 1 0 303.374 2.110 10 0 DEAERO C[C@H]1[C@@H](NC(=O)c2cc(F)ccc2Br)CC[N@@H+]1C ZINC000719384279 1089078483 /nfs/dbraw/zinc/07/84/83/1089078483.db2.gz CPDCMGVRCSDJPF-UFBFGSQYSA-N 1 0 315.186 2.411 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)CCN1C ZINC000719569997 1089306431 /nfs/dbraw/zinc/30/64/31/1089306431.db2.gz MOUOSMNCBWRMQN-LXTVHRRPSA-N 1 0 311.470 2.457 10 0 DEAERO Cc1ccc(C[NH2+][C@@H]2COCC[C@H]2O)c(C)c1Br ZINC000719615012 1089328959 /nfs/dbraw/zinc/32/89/59/1089328959.db2.gz VDCZJQGTJPJGOI-CHWSQXEVSA-N 1 0 314.223 2.305 10 0 DEAERO [NH3+][C@H]1CN(C(=O)c2cccnc2Cl)CC[C@@H]1C(F)(F)F ZINC000717056621 1092518054 /nfs/dbraw/zinc/51/80/54/1092518054.db2.gz BPASZEMAISBQJI-IUCAKERBSA-N 1 0 307.703 2.087 10 0 DEAERO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)O ZINC000387016614 1144509497 /nfs/dbraw/zinc/50/94/97/1144509497.db2.gz ODIWEWFNMIPZGJ-SFYZADRCSA-N 1 0 303.156 2.216 10 0 DEAERO COc1cc2c(cc1OC)CN(C(=O)CC[NH+]1CCCC1)CC2 ZINC000074693654 185010032 /nfs/dbraw/zinc/01/00/32/185010032.db2.gz BOSNLLBSUYDYKF-UHFFFAOYSA-N 1 0 318.417 2.074 10 0 DEAERO CN(C)c1nnc(S[C@@H]2COc3ccccc3[C@H]2[NH3+])s1 ZINC000081769342 192322444 /nfs/dbraw/zinc/32/24/44/192322444.db2.gz GGEMDFAHLRWWQW-GHMZBOCLSA-N 1 0 308.432 2.157 10 0 DEAERO CC[NH2+][C@H](CSCCS(C)(=O)=O)c1ccccc1OC ZINC000081768744 192323156 /nfs/dbraw/zinc/32/31/56/192323156.db2.gz IOWUFNKKDKNKTR-CYBMUJFWSA-N 1 0 317.476 2.124 10 0 DEAERO CC[NH2+][C@H](CSCCC(=O)OC)c1ccc2c(c1)OCO2 ZINC000081790317 192323784 /nfs/dbraw/zinc/32/37/84/192323784.db2.gz VAFUJHUAPQXILW-GFCCVEGCSA-N 1 0 311.403 2.362 10 0 DEAERO CCOc1ccc([C@@H](C)[NH2+]C)cc1CSc1nnnn1C ZINC000081846075 192331717 /nfs/dbraw/zinc/33/17/17/192331717.db2.gz TYWGWGMRTOBBIJ-SNVBAGLBSA-N 1 0 307.423 2.182 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2CC[C@@H]1Sc1nnnn1C1CC1 ZINC000081867646 192332963 /nfs/dbraw/zinc/33/29/63/192332963.db2.gz HBDJBVSLZCDKAA-UONOGXRCSA-N 1 0 301.419 2.376 10 0 DEAERO CCc1ccc([C@H](CSc2n[nH]c(=O)n2CC)[NH2+]C)cc1 ZINC000081882129 192333972 /nfs/dbraw/zinc/33/39/72/192333972.db2.gz MGCCENFGIHUDJN-ZDUSSCGKSA-N 1 0 306.435 2.207 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nncs1)OCCO2 ZINC000081881944 192334333 /nfs/dbraw/zinc/33/43/33/192334333.db2.gz ZFGTWWLWKLSKQA-MNOVXSKESA-N 1 0 315.464 2.294 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1Sc1cc(C)nn1C)OCCO2 ZINC000081884892 192334628 /nfs/dbraw/zinc/33/46/28/192334628.db2.gz IWOHFOOMVHKWEP-CHWSQXEVSA-N 1 0 311.451 2.094 10 0 DEAERO CC(C)C[NH2+]Cc1cc(Cl)ccc1N1CCNC(=O)[C@@H]1C ZINC000162606113 197579014 /nfs/dbraw/zinc/57/90/14/197579014.db2.gz BPQYUUJDCKXEPL-LBPRGKRZSA-N 1 0 309.841 2.410 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1cc(C)ccc1C ZINC000081922258 192339252 /nfs/dbraw/zinc/33/92/52/192339252.db2.gz RGSIAGDBFVJNAV-GDBMZVCRSA-N 1 0 311.447 2.234 10 0 DEAERO C[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000081922748 192339798 /nfs/dbraw/zinc/33/97/98/192339798.db2.gz OJORPOJAXLUTJS-JQWIXIFHSA-N 1 0 324.229 2.144 10 0 DEAERO COc1ccc(S(=O)(=O)[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000081923121 192340515 /nfs/dbraw/zinc/34/05/15/192340515.db2.gz JAQUTYXOSRKDRU-HZPDHXFCSA-N 1 0 303.383 2.094 10 0 DEAERO CC[NH+](CC)CCNC(=O)CCc1c(C)nc2ccccn21 ZINC000096771810 185387043 /nfs/dbraw/zinc/38/70/43/185387043.db2.gz RNRSCQXATULXKQ-UHFFFAOYSA-N 1 0 302.422 2.033 10 0 DEAERO C[NH+]1CCN(c2cccc(C(=O)Nc3ccccc3F)n2)CC1 ZINC000096780312 185387325 /nfs/dbraw/zinc/38/73/25/185387325.db2.gz BUWNNQKWROKMDC-UHFFFAOYSA-N 1 0 314.364 2.225 10 0 DEAERO NC(=[NH2+])c1cc(F)cc(CSc2ncnc3[nH]cnc32)c1 ZINC000163568432 197639307 /nfs/dbraw/zinc/63/93/07/197639307.db2.gz NBHMLMVAWGLSNU-UHFFFAOYSA-N 1 0 302.338 2.068 10 0 DEAERO CSCCCC[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000163708955 197646625 /nfs/dbraw/zinc/64/66/25/197646625.db2.gz LNVWLLHOZVQDKV-NSHDSACASA-N 1 0 302.465 2.128 10 0 DEAERO C[C@H]([NH2+]CCCS(N)(=O)=O)c1ccc(-c2cccnc2)cc1 ZINC000181282338 199276284 /nfs/dbraw/zinc/27/62/84/199276284.db2.gz RRGZDPUFWMMFKT-ZDUSSCGKSA-N 1 0 319.430 2.078 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000152391702 282143454 /nfs/dbraw/zinc/14/34/54/282143454.db2.gz KZOMPYQOFSMACJ-NVXWUHKLSA-N 1 0 323.481 2.317 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1ccccn1)C1CC1 ZINC000079254302 185162635 /nfs/dbraw/zinc/16/26/35/185162635.db2.gz FSCFDNXGIINVHE-AWEZNQCLSA-N 1 0 304.438 2.486 10 0 DEAERO COC(=O)[C@@H](CC(C)C)NC(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000079276250 185163128 /nfs/dbraw/zinc/16/31/28/185163128.db2.gz BTMPVJQRHUHKDY-UONOGXRCSA-N 1 0 300.443 2.092 10 0 DEAERO CCC[NH2+][C@](C)(CCSc1ccc(Cl)cn1)C(N)=O ZINC000079448135 185172214 /nfs/dbraw/zinc/17/22/14/185172214.db2.gz USDKDXGKIDABMY-CYBMUJFWSA-N 1 0 301.843 2.461 10 0 DEAERO [NH3+][C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1cc(F)ccc1F ZINC000081945723 192346054 /nfs/dbraw/zinc/34/60/54/192346054.db2.gz GPTFMORDCJHJOO-LSDHHAIUSA-N 1 0 309.337 2.363 10 0 DEAERO Cc1ncc2c(c1-c1noc([C@H]3CCCCN3C)n1)CC[NH2+]C2 ZINC000020535759 282168506 /nfs/dbraw/zinc/16/85/06/282168506.db2.gz STDKMBGNCQERCD-CQSZACIVSA-N 1 0 313.405 2.243 10 0 DEAERO [NH3+]CCCCCS(=O)(=O)c1cccc(Br)c1 ZINC000082790996 185204168 /nfs/dbraw/zinc/20/41/68/185204168.db2.gz WBOKQTYGRMLWNM-UHFFFAOYSA-N 1 0 306.225 2.352 10 0 DEAERO CCC[NH2+]Cc1ccc(Cl)cc1Sc1n[nH]c(=O)n1C ZINC000165245065 197672926 /nfs/dbraw/zinc/67/29/26/197672926.db2.gz WBSNPGSMFCQCRG-UHFFFAOYSA-N 1 0 312.826 2.413 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccc(Br)s1 ZINC000082921082 185209606 /nfs/dbraw/zinc/20/96/06/185209606.db2.gz MNJDQEPFPCQQIJ-IUCAKERBSA-N 1 0 303.225 2.254 10 0 DEAERO [NH3+][C@H](c1cc(Cl)sc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000082998656 185210694 /nfs/dbraw/zinc/21/06/94/185210694.db2.gz SGUFCVBSFXMDCE-XNCJUZBTSA-N 1 0 300.232 2.489 10 0 DEAERO CC[C@H]1CN(c2ccccc2I)CC[NH2+]1 ZINC000083061377 185212357 /nfs/dbraw/zinc/21/23/57/185212357.db2.gz OWJJCSJRRHYMAF-JTQLQIEISA-N 1 0 316.186 2.479 10 0 DEAERO CC[C@H](C[NH3+])NC(=O)c1cc(Br)cn1C1CC1 ZINC000087385781 185223302 /nfs/dbraw/zinc/22/33/02/185223302.db2.gz LBJOTTMDXVCHBH-SECBINFHSA-N 1 0 300.200 2.053 10 0 DEAERO CC(C)[C@@H](C[NH3+])NC(=O)c1cc(F)cc(Br)c1 ZINC000087403556 185223939 /nfs/dbraw/zinc/22/39/39/185223939.db2.gz AGZLZFCRWNBCIH-LLVKDONJSA-N 1 0 303.175 2.301 10 0 DEAERO CCCc1nnsc1C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000087456074 185225699 /nfs/dbraw/zinc/22/56/99/185225699.db2.gz WVSWRURXRPUSQF-NSHDSACASA-N 1 0 302.403 2.021 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000087517851 185227546 /nfs/dbraw/zinc/22/75/46/185227546.db2.gz WKHRVGYRKGQZCP-VIFPVBQESA-N 1 0 318.826 2.057 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000087531930 185227757 /nfs/dbraw/zinc/22/77/57/185227757.db2.gz NYGSURUKTSSDLK-GFCCVEGCSA-N 1 0 300.349 2.322 10 0 DEAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2sccc2Br)C1 ZINC000087575765 185228808 /nfs/dbraw/zinc/22/88/08/185228808.db2.gz VWWGZTJKKKLLLS-SFYZADRCSA-N 1 0 303.225 2.254 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])c2cncs2)c1Br ZINC000087574199 185228814 /nfs/dbraw/zinc/22/88/14/185228814.db2.gz GZWJTMMOIQTWDN-ZETCQYMHSA-N 1 0 301.213 2.190 10 0 DEAERO C[NH2+][C@H](c1sccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000087630646 185229612 /nfs/dbraw/zinc/22/96/12/185229612.db2.gz QJQPSNIBVYANCE-APPZFPTMSA-N 1 0 324.265 2.206 10 0 DEAERO COc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173189422 282189057 /nfs/dbraw/zinc/18/90/57/282189057.db2.gz KCKNTWQRPAWTBM-HIFRSBDPSA-N 1 0 305.422 2.319 10 0 DEAERO COCC[NH2+]C[C@H]1CCCN(c2nc(C(C)(C)C)ns2)C1 ZINC000087643902 185229804 /nfs/dbraw/zinc/22/98/04/185229804.db2.gz YMRJJXYWJZVYGC-GFCCVEGCSA-N 1 0 312.483 2.288 10 0 DEAERO C[C@H]([NH2+]C(CO)CO)c1cc2cc(Br)ccc2o1 ZINC000087750385 185231550 /nfs/dbraw/zinc/23/15/50/185231550.db2.gz SYAWGANHRUOLAR-QMMMGPOBSA-N 1 0 314.179 2.199 10 0 DEAERO [NH3+][C@@H](Cc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000087760338 185231601 /nfs/dbraw/zinc/23/16/01/185231601.db2.gz FHGSXNGRLDOPLM-PELKAZGASA-N 1 0 308.230 2.298 10 0 DEAERO COc1ccc(Br)c(CNC[C@H]2CC[N@H+](C)C2)c1 ZINC000087787576 185231617 /nfs/dbraw/zinc/23/16/17/185231617.db2.gz UKEGOPQLLKKYTK-LLVKDONJSA-N 1 0 313.239 2.499 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCCNC(=O)C1 ZINC000087883140 185234476 /nfs/dbraw/zinc/23/44/76/185234476.db2.gz XJHNHKNRUCPDPZ-RNCFNFMXSA-N 1 0 301.843 2.002 10 0 DEAERO [NH3+]C[C@H](NCC(F)(F)F)c1cc(Cl)c2c(c1)OCCO2 ZINC000087929570 185237574 /nfs/dbraw/zinc/23/75/74/185237574.db2.gz DPGKSTRTQHDJMZ-VIFPVBQESA-N 1 0 310.703 2.263 10 0 DEAERO COc1cc(C)c(Br)cc1[C@H]([NH3+])CCCC(N)=O ZINC000088078806 185238920 /nfs/dbraw/zinc/23/89/20/185238920.db2.gz CCSQZNDKLVMBDC-LLVKDONJSA-N 1 0 315.211 2.422 10 0 DEAERO COC[C@H](O)COc1c(Cl)cccc1C[NH2+]CC(C)C ZINC000165583582 197678265 /nfs/dbraw/zinc/67/82/65/197678265.db2.gz QGUJLMRODSXDIE-ZDUSSCGKSA-N 1 0 301.814 2.472 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(Br)s1)[C@@H]1COCCO1 ZINC000087857894 185233931 /nfs/dbraw/zinc/23/39/31/185233931.db2.gz MYUSTLBFKXMCJB-QWRGUYRKSA-N 1 0 320.252 2.447 10 0 DEAERO Cc1c[nH+]c(NN)nc1NCc1ccc(Br)cc1 ZINC000087884686 185234315 /nfs/dbraw/zinc/23/43/15/185234315.db2.gz VQKUCGZDHLNKSO-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO Cc1cccc(N2CC[NH+](CCc3csc(N)n3)CC2)c1 ZINC000088193212 185241426 /nfs/dbraw/zinc/24/14/26/185241426.db2.gz SOQQEUQRWHQNMK-UHFFFAOYSA-N 1 0 302.447 2.398 10 0 DEAERO Cc1cc2[nH]c(C[NH2+][C@H]3COC[C@H]3n3ccnn3)cc2c(C)c1 ZINC000328919259 231386930 /nfs/dbraw/zinc/38/69/30/231386930.db2.gz BMKSSWQAPXCPLL-DLBZAZTESA-N 1 0 311.389 2.106 10 0 DEAERO C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Br)C1=O ZINC000088123184 185240013 /nfs/dbraw/zinc/24/00/13/185240013.db2.gz HQWIZDSNQOLKDF-VIFPVBQESA-N 1 0 303.587 2.427 10 0 DEAERO [NH3+][C@H]1CCCN(c2c3nsnc3c(Cl)cc2Cl)C1=O ZINC000088128025 185240508 /nfs/dbraw/zinc/24/05/08/185240508.db2.gz YESBIHYRGCJLTH-ZETCQYMHSA-N 1 0 317.201 2.452 10 0 DEAERO CC(C)C[C@@H](C[NH3+])Cc1nc2cc(S(C)(=O)=O)ccc2[nH]1 ZINC000088275242 185244585 /nfs/dbraw/zinc/24/45/85/185244585.db2.gz QAASQQDVBLBGFQ-LLVKDONJSA-N 1 0 309.435 2.130 10 0 DEAERO C[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000088312124 185245308 /nfs/dbraw/zinc/24/53/08/185245308.db2.gz FWONNEGZAKHQRP-NWDGAFQWSA-N 1 0 324.229 2.144 10 0 DEAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)N1CCCCc2ccccc21 ZINC000088337523 185246589 /nfs/dbraw/zinc/24/65/89/185246589.db2.gz QJNXXDRSXKYOOT-HNNXBMFYSA-N 1 0 308.447 2.301 10 0 DEAERO C[NH2+]C[C@H](C)Cn1cnc2ccc(Br)cc2c1=O ZINC000088452993 185251796 /nfs/dbraw/zinc/25/17/96/185251796.db2.gz LNXNRNNCUDLUKJ-VIFPVBQESA-N 1 0 310.195 2.015 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCC(C(F)(F)F)CC1 ZINC000088417173 185249213 /nfs/dbraw/zinc/24/92/13/185249213.db2.gz ZQRPMJNOQHZZSG-CHWSQXEVSA-N 1 0 304.360 2.473 10 0 DEAERO [NH3+]Cc1cccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000088419169 185249591 /nfs/dbraw/zinc/24/95/91/185249591.db2.gz XEQVXTCTBREAHL-LLVKDONJSA-N 1 0 322.352 2.108 10 0 DEAERO CN[C@](C)(C[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000088435245 185250214 /nfs/dbraw/zinc/25/02/14/185250214.db2.gz KOTAFHLFJSFLOG-GMXVVIOVSA-N 1 0 310.360 2.190 10 0 DEAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1cnc(Br)cn1 ZINC000088446430 185251218 /nfs/dbraw/zinc/25/12/18/185251218.db2.gz QRMMCGOMHWNWBL-SECBINFHSA-N 1 0 315.215 2.189 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C)o1 ZINC000088544348 185256845 /nfs/dbraw/zinc/25/68/45/185256845.db2.gz PGEVFBIIQLZEGU-UHFFFAOYSA-N 1 0 302.440 2.444 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)CC[C@@H]2C)o1 ZINC000088713675 185262776 /nfs/dbraw/zinc/26/27/76/185262776.db2.gz QVTLCYMAYSUSHP-RYUDHWBXSA-N 1 0 300.424 2.198 10 0 DEAERO COc1ccc([C@H]([NH3+])CS(=O)(=O)c2cccc(C)c2)cc1 ZINC000081986544 192348897 /nfs/dbraw/zinc/34/88/97/192348897.db2.gz ZRJXYKAJVLLNRS-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO CCn1ncnc1C[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000088610255 185259951 /nfs/dbraw/zinc/25/99/51/185259951.db2.gz WZGJGVLWUXJOPU-GFCCVEGCSA-N 1 0 309.211 2.173 10 0 DEAERO Cc1ccc2c(N)c(C(=O)N[C@@H]3CCC[N@@H+](C)C3)sc2n1 ZINC000088641141 185260829 /nfs/dbraw/zinc/26/08/29/185260829.db2.gz GUWIWNNVPQPYAX-SNVBAGLBSA-N 1 0 304.419 2.011 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2F)s1 ZINC000088722851 185263397 /nfs/dbraw/zinc/26/33/97/185263397.db2.gz YCASXIIPEYBBDX-UHFFFAOYSA-N 1 0 322.333 2.425 10 0 DEAERO CC[C@H]([NH2+]C)c1nnc(-c2cccc(S(C)(=O)=O)c2)s1 ZINC000088824439 185266632 /nfs/dbraw/zinc/26/66/32/185266632.db2.gz ZPYLGTCEKRPGER-NSHDSACASA-N 1 0 311.432 2.279 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)CCCOC)c1ccccc1C ZINC000081985836 192349198 /nfs/dbraw/zinc/34/91/98/192349198.db2.gz IJONQJGUSSGQPJ-INIZCTEOSA-N 1 0 313.463 2.487 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C ZINC000246837124 282214663 /nfs/dbraw/zinc/21/46/63/282214663.db2.gz BLOGNWTZFMIPJV-ZBFHGGJFSA-N 1 0 304.438 2.057 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081989875 192351078 /nfs/dbraw/zinc/35/10/78/192351078.db2.gz JHCPCPLYFLWJKV-YUELXQCFSA-N 1 0 303.468 2.137 10 0 DEAERO CCC[NH2+][C@H]1CCCCC[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081990255 192351317 /nfs/dbraw/zinc/35/13/17/192351317.db2.gz YQRZSKFKFIXWQW-LSDHHAIUSA-N 1 0 303.468 2.281 10 0 DEAERO CC[NH2+][C@@H](C[S@](=O)CCCOC)c1cc(C)ccc1OC ZINC000081998321 192351851 /nfs/dbraw/zinc/35/18/51/192351851.db2.gz XVQWVPBZOYTMTL-BTYIYWSLSA-N 1 0 313.463 2.439 10 0 DEAERO CC[C@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1cccc(C)c1 ZINC000090218753 185286988 /nfs/dbraw/zinc/28/69/88/185286988.db2.gz PUKOBJHLWOFDOW-OAHLLOKOSA-N 1 0 305.422 2.285 10 0 DEAERO [NH3+][C@H]1CCC2(C[C@@H]1[S@](=O)c1ccc(Cl)cc1)OCCO2 ZINC000082000529 192353202 /nfs/dbraw/zinc/35/32/02/192353202.db2.gz GNOBAZGJPRCXSJ-QAJFTPDKSA-N 1 0 315.822 2.071 10 0 DEAERO COc1ccc(C[NH3+])cc1C[S@](=O)c1ccccc1OC ZINC000081999824 192353530 /nfs/dbraw/zinc/35/35/30/192353530.db2.gz VYBKWFYXMOTQGS-OAQYLSRUSA-N 1 0 305.399 2.470 10 0 DEAERO COC(OC)[C@@](C)(C[NH3+])Nc1ccccc1Br ZINC000090266744 185288433 /nfs/dbraw/zinc/28/84/33/185288433.db2.gz CFZFWGVCPAJRSC-GFCCVEGCSA-N 1 0 303.200 2.197 10 0 DEAERO CCC[NH2+]Cc1cn(-c2c3nsnc3ccc2Cl)nn1 ZINC000090300321 185290038 /nfs/dbraw/zinc/29/00/38/185290038.db2.gz XMCODNWFFMMGMR-UHFFFAOYSA-N 1 0 308.798 2.425 10 0 DEAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000090378664 185293699 /nfs/dbraw/zinc/29/36/99/185293699.db2.gz CINDIXODOLJRCD-APPZFPTMSA-N 1 0 308.687 2.271 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1c1nc(-c2ccc(Br)cc2)no1 ZINC000090423225 185295484 /nfs/dbraw/zinc/29/54/84/185295484.db2.gz DVNRYDISQNTSBQ-QWRGUYRKSA-N 1 0 324.178 2.201 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000090423975 185295655 /nfs/dbraw/zinc/29/56/55/185295655.db2.gz HZJRSJYYHBBCTP-CMPLNLGQSA-N 1 0 311.744 2.155 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000090435303 185296152 /nfs/dbraw/zinc/29/61/52/185296152.db2.gz ORRWGMJJXKTEDT-RBSFLKMASA-N 1 0 308.809 2.238 10 0 DEAERO C[C@@]1(C(=O)Nc2c3ncsc3ccc2Cl)COC[C@H]1[NH3+] ZINC000090585552 185305125 /nfs/dbraw/zinc/30/51/25/185305125.db2.gz FYFJPIUUMPLDIJ-NOZJJQNGSA-N 1 0 311.794 2.252 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090591490 185305363 /nfs/dbraw/zinc/30/53/63/185305363.db2.gz BYHSKWLZURGGFM-JSGCOSHPSA-N 1 0 317.216 2.316 10 0 DEAERO C[C@@]1(C(=O)Nc2cccc(-c3nccs3)c2)COC[C@@H]1[NH3+] ZINC000090589989 185305587 /nfs/dbraw/zinc/30/55/87/185305587.db2.gz GNVZRIPFQMFDHV-SWLSCSKDSA-N 1 0 303.387 2.112 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)COC[C@@H]1[NH3+] ZINC000090597728 185305742 /nfs/dbraw/zinc/30/57/42/185305742.db2.gz GXZXBSXPKCZWQU-JQWIXIFHSA-N 1 0 306.259 2.147 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1F ZINC000090539978 185301686 /nfs/dbraw/zinc/30/16/86/185301686.db2.gz CPOKZEJODBMRLC-GXFFZTMASA-N 1 0 300.761 2.432 10 0 DEAERO COC(=O)C1CCC(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000179480409 282226195 /nfs/dbraw/zinc/22/61/95/282226195.db2.gz LDWLIFVWWBAHSQ-YMAMQOFZSA-N 1 0 312.454 2.058 10 0 DEAERO O=C(c1cccnc1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700834 185310517 /nfs/dbraw/zinc/31/05/17/185310517.db2.gz ZDGRWKGLHXAIRE-HNNXBMFYSA-N 1 0 305.447 2.125 10 0 DEAERO Brc1cccn2nc(NCC[C@H]3CCC[NH2+]3)nc12 ZINC000166874508 197701006 /nfs/dbraw/zinc/70/10/06/197701006.db2.gz ABUZTKMTLNVNFG-SECBINFHSA-N 1 0 310.199 2.046 10 0 DEAERO COc1cc(C[NH3+])ccc1Oc1ncncc1Br ZINC000090782360 185311898 /nfs/dbraw/zinc/31/18/98/185311898.db2.gz FHJICJWYCNHVTD-UHFFFAOYSA-N 1 0 310.151 2.499 10 0 DEAERO Cc1noc(C)c1[C@@H](C)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000092343042 185313354 /nfs/dbraw/zinc/31/33/54/185313354.db2.gz VKNQKEKZXKEVFH-ZCFIWIBFSA-N 1 0 309.757 2.116 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@@H](OC)C1CCCCC1 ZINC000167406092 197707910 /nfs/dbraw/zinc/70/79/10/197707910.db2.gz QDUGSUGTWUQUIC-GJZGRUSLSA-N 1 0 305.484 2.385 10 0 DEAERO CCOc1ccc(NC(=O)CN2CCC([NH3+])CC2)cc1Cl ZINC000092714003 185335867 /nfs/dbraw/zinc/33/58/67/185335867.db2.gz KDDUNMULIJKVMS-UHFFFAOYSA-N 1 0 311.813 2.100 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1c1cc2c(cc1Cl)C(=O)C(=O)N2 ZINC000092772620 185339964 /nfs/dbraw/zinc/33/99/64/185339964.db2.gz RSVORXBEFRBSPP-SECBINFHSA-N 1 0 307.781 2.005 10 0 DEAERO CCC[C@H](C(=O)Nc1nc(-c2nccn2C)cs1)[NH+](C)C ZINC000092762825 185338462 /nfs/dbraw/zinc/33/84/62/185338462.db2.gz LKDUMMHGCSWCFV-LLVKDONJSA-N 1 0 307.423 2.212 10 0 DEAERO CC1(C)C(NS(=O)(=O)c2ccc(C[NH2+]C3CC3)o2)C1(C)C ZINC000092832992 185344933 /nfs/dbraw/zinc/34/49/33/185344933.db2.gz USVVRERVGDSLFV-UHFFFAOYSA-N 1 0 312.435 2.245 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cs1 ZINC000092833151 185344992 /nfs/dbraw/zinc/34/49/92/185344992.db2.gz GWVNOZHASRRZST-UHFFFAOYSA-N 1 0 316.492 2.428 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2cccc([S@@](C)=O)c2)CC1 ZINC000613796052 362211491 /nfs/dbraw/zinc/21/14/91/362211491.db2.gz YBJLIFZJONUMLJ-JOCHJYFZSA-N 1 0 322.474 2.276 10 0 DEAERO COc1nc(C)cc(=O)n1CC[NH2+]Cc1ccc(Cl)s1 ZINC000092841104 185345445 /nfs/dbraw/zinc/34/54/45/185345445.db2.gz PWTJFJBNJFSGMK-UHFFFAOYSA-N 1 0 313.810 2.065 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](S(=O)(=O)c1cccs1)C2 ZINC000092859137 185346870 /nfs/dbraw/zinc/34/68/70/185346870.db2.gz LARLLJXLFZUQKO-OCCSQVGLSA-N 1 0 309.412 2.155 10 0 DEAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000092953383 185350436 /nfs/dbraw/zinc/35/04/36/185350436.db2.gz YFRORTZCQHQGPJ-MNOVXSKESA-N 1 0 304.781 2.462 10 0 DEAERO O=C(CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1)OCc1ccccc1 ZINC000181472366 199301647 /nfs/dbraw/zinc/30/16/47/199301647.db2.gz OKJZCNFMFDCYOF-AWEZNQCLSA-N 1 0 317.307 2.119 10 0 DEAERO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000181579029 199320749 /nfs/dbraw/zinc/32/07/49/199320749.db2.gz URDZZOPHXDJONJ-QMMMGPOBSA-N 1 0 301.316 2.332 10 0 DEAERO COCc1csc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)n1 ZINC000181614821 199328023 /nfs/dbraw/zinc/32/80/23/199328023.db2.gz KMCFDSBSXLUNLW-LBPRGKRZSA-N 1 0 312.439 2.093 10 0 DEAERO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCC2(C)C)cc1 ZINC000077382620 539363089 /nfs/dbraw/zinc/36/30/89/539363089.db2.gz FMWCXPPNYARNLP-UHFFFAOYSA-N 1 0 305.378 2.218 10 0 DEAERO [NH3+][C@H](C[C@H]1CCS(=O)(=O)C1)c1cccc(OC(F)(F)F)c1 ZINC000097138543 185414426 /nfs/dbraw/zinc/41/44/26/185414426.db2.gz ZSHRRKATIHQFPM-BXKDBHETSA-N 1 0 323.336 2.410 10 0 DEAERO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)Cc1ccoc1 ZINC000328633988 529954984 /nfs/dbraw/zinc/95/49/84/529954984.db2.gz SZMNXGOKWJYLGS-WMZOPIPTSA-N 1 0 313.401 2.369 10 0 DEAERO CC(=O)c1cc(NC(=O)[C@@H]2CCc3nc[nH]c3C2)ccc1F ZINC000614693610 362438340 /nfs/dbraw/zinc/43/83/40/362438340.db2.gz QKGKAYNRPOSUPV-SNVBAGLBSA-N 1 0 301.321 2.495 10 0 DEAERO CC1CCC(CNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000193754205 282355872 /nfs/dbraw/zinc/35/58/72/282355872.db2.gz VEBKQLIKXKACNF-UHFFFAOYSA-N 1 0 311.470 2.224 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1F ZINC000094836961 539433145 /nfs/dbraw/zinc/43/31/45/539433145.db2.gz FCWJJQCJWHCWAA-GFCCVEGCSA-N 1 0 314.426 2.209 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc2n[nH]nc21 ZINC000119116890 539443230 /nfs/dbraw/zinc/44/32/30/539443230.db2.gz USEWFLCATBADES-ZDUSSCGKSA-N 1 0 323.400 2.208 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[C@@H](C(=O)OC)C2)[C@@H](C)C1 ZINC000245423353 282386709 /nfs/dbraw/zinc/38/67/09/282386709.db2.gz JJBNXFPPHLMTQR-JJXSEGSLSA-N 1 0 324.465 2.155 10 0 DEAERO C[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000109040956 185547484 /nfs/dbraw/zinc/54/74/84/185547484.db2.gz ABLRAMIETRNSHY-GFCCVEGCSA-N 1 0 310.463 2.154 10 0 DEAERO CC(=O)N(C)c1ccccc1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000127205450 539480989 /nfs/dbraw/zinc/48/09/89/539480989.db2.gz YBPVJPOVNAHYRW-QGZVFWFLSA-N 1 0 315.417 2.482 10 0 DEAERO COc1ccc(OC(F)F)c(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111265714 185567784 /nfs/dbraw/zinc/56/77/84/185567784.db2.gz SLIWSBVVKWSMFM-WCBMZHEXSA-N 1 0 300.305 2.091 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)c1ccncc1 ZINC000130236396 539494478 /nfs/dbraw/zinc/49/44/78/539494478.db2.gz RKTYXEPOOPRFDL-MRXNPFEDSA-N 1 0 318.465 2.485 10 0 DEAERO C[NH2+][C@@H](C)[C@H]1CCCCN1S(=O)(=O)CC1CCCCC1 ZINC000111715146 185629802 /nfs/dbraw/zinc/62/98/02/185629802.db2.gz IZOFUAPGWFKRLO-DZGCQCFKSA-N 1 0 302.484 2.359 10 0 DEAERO Cc1sc2ncnc(NCCOC3CC[NH2+]CC3)c2c1C ZINC000111792306 185636957 /nfs/dbraw/zinc/63/69/57/185636957.db2.gz VFZFKEJBOHYXKT-UHFFFAOYSA-N 1 0 306.435 2.489 10 0 DEAERO C[C@H]1CCN(CC(=O)NCc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000235628062 201919152 /nfs/dbraw/zinc/91/91/52/201919152.db2.gz RWIOWXVJGGOBSA-SWLSCSKDSA-N 1 0 309.841 2.015 10 0 DEAERO Cc1cncc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000153215638 539543150 /nfs/dbraw/zinc/54/31/50/539543150.db2.gz JISWHRCMIGBKKB-QGZVFWFLSA-N 1 0 312.417 2.492 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000333815623 282971212 /nfs/dbraw/zinc/97/12/12/282971212.db2.gz KBKWSWFVLLTNKW-FVQBIDKESA-N 1 0 309.454 2.118 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236626572 201940076 /nfs/dbraw/zinc/94/00/76/201940076.db2.gz XAKXWDANLTVUIW-XYPWUTKMSA-N 1 0 318.465 2.098 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(Br)c(F)c2)CCO1 ZINC000123809256 185844397 /nfs/dbraw/zinc/84/43/97/185844397.db2.gz PCCNORSMKZEHSG-NOZJJQNGSA-N 1 0 317.202 2.136 10 0 DEAERO COCC[NH2+]CCC[S@@](=O)c1cccc(C(F)(F)F)c1 ZINC000123935033 185858494 /nfs/dbraw/zinc/85/84/94/185858494.db2.gz SIZCSPROMXSNAB-FQEVSTJZSA-N 1 0 309.353 2.439 10 0 DEAERO CC(C)([NH3+])CCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000070087190 190858188 /nfs/dbraw/zinc/85/81/88/190858188.db2.gz XUENCMDXUPRZIS-UHFFFAOYSA-N 1 0 320.361 2.139 10 0 DEAERO C[C@H]1CCN(C(=O)Cc2cccc(Br)c2)C[C@H]1[NH3+] ZINC000070145242 190862869 /nfs/dbraw/zinc/86/28/69/190862869.db2.gz WASXHXOQSMNYEF-GXFFZTMASA-N 1 0 311.223 2.187 10 0 DEAERO C[C@H]1CCC[C@H](C[NH3+])N1c1ccccc1S(=O)(=O)C(F)F ZINC000070157119 190864003 /nfs/dbraw/zinc/86/40/03/190864003.db2.gz FILJPHKLNGOIKP-WDEREUQCSA-N 1 0 318.389 2.389 10 0 DEAERO COC(=O)c1cnc(-c2ccc(F)cc2)nc1[C@@H]1CCC[NH2+]1 ZINC000616579917 362894431 /nfs/dbraw/zinc/89/44/31/362894431.db2.gz SJEQBIGYUPWCGJ-ZDUSSCGKSA-N 1 0 301.321 2.494 10 0 DEAERO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000616656928 362904927 /nfs/dbraw/zinc/90/49/27/362904927.db2.gz VCAWLLAISCPKDR-OAHLLOKOSA-N 1 0 323.412 2.297 10 0 DEAERO C[NH2+][C@H]1Cc2ccccc2N(CCNC(=O)OC(C)(C)C)C1 ZINC000616672982 362907367 /nfs/dbraw/zinc/90/73/67/362907367.db2.gz RFZLZNQTAXVPIE-AWEZNQCLSA-N 1 0 305.422 2.162 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC(=O)NCC2CCC2)cc1OC ZINC000180890047 539647532 /nfs/dbraw/zinc/64/75/32/539647532.db2.gz OXWVHJASJGRCJJ-GFCCVEGCSA-N 1 0 306.406 2.271 10 0 DEAERO C[NH2+][C@@](CO)(COc1c(F)c(F)c(F)c(F)c1F)C1CC1 ZINC000070519579 190903130 /nfs/dbraw/zinc/90/31/30/190903130.db2.gz XFSASAABOOXAJQ-ZDUSSCGKSA-N 1 0 311.250 2.121 10 0 DEAERO c1cnn(C[C@H]2CN(Cc3cccc4cnccc43)CCO2)c1 ZINC000183285494 539661091 /nfs/dbraw/zinc/66/10/91/539661091.db2.gz IWLCTAMYRUXTIR-QGZVFWFLSA-N 1 0 308.385 2.332 10 0 DEAERO CC(C)[NH2+]C[C@H](O)CSc1ncccc1Br ZINC000070615048 190908063 /nfs/dbraw/zinc/90/80/63/190908063.db2.gz KYRKPHSXRCSJOW-VIFPVBQESA-N 1 0 305.241 2.295 10 0 DEAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccccc1C(C)C)C(C)C ZINC000183647372 539663921 /nfs/dbraw/zinc/66/39/21/539663921.db2.gz CEEBTJRWRRYHJI-MRXNPFEDSA-N 1 0 305.422 2.109 10 0 DEAERO FC(F)(F)COc1ccc(CC[NH2+][C@H]2CCCOC2)cn1 ZINC000186747734 539676974 /nfs/dbraw/zinc/67/69/74/539676974.db2.gz WXPOGFSWZQPCET-LBPRGKRZSA-N 1 0 304.312 2.334 10 0 DEAERO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC([NH+](C)C)CC1 ZINC000193814210 539715514 /nfs/dbraw/zinc/71/55/14/539715514.db2.gz GHZNOWCMXHFVMQ-GJZGRUSLSA-N 1 0 315.461 2.379 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)CSCc2c(C)noc2C)C1 ZINC000194624997 539718748 /nfs/dbraw/zinc/71/87/48/539718748.db2.gz VGGJNVXSGVSNBE-ZDUSSCGKSA-N 1 0 311.451 2.125 10 0 DEAERO [NH3+][C@@]1(Cc2ccc(I)cc2)CCCOC1 ZINC000083850479 192386913 /nfs/dbraw/zinc/38/69/13/192386913.db2.gz RMDSISWLHHRKFR-GFCCVEGCSA-N 1 0 317.170 2.342 10 0 DEAERO C[NH2+][C@@H](CS(C)(=O)=O)c1cc(Br)sc1C ZINC000084006556 192395412 /nfs/dbraw/zinc/39/54/12/192395412.db2.gz BHXURUUXTXJKOW-QMMMGPOBSA-N 1 0 312.254 2.124 10 0 DEAERO CCn1ncc(Br)c1[C@@](C)(O)C[C@@H]1CCCC[NH2+]1 ZINC000133367797 185978408 /nfs/dbraw/zinc/97/84/08/185978408.db2.gz MPKQYWNVKIZBBE-GWCFXTLKSA-N 1 0 316.243 2.405 10 0 DEAERO C[C@H]1CN(c2ncc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000229553140 539732856 /nfs/dbraw/zinc/73/28/56/539732856.db2.gz MDWYEGDRRCOSJY-KWQFWETISA-N 1 0 302.191 2.370 10 0 DEAERO CCOC(=O)CCN(CCC[NH+](C)C)C(=O)C(CC)CC ZINC000071604354 190992663 /nfs/dbraw/zinc/99/26/63/190992663.db2.gz PZJBZAZFUGRHLC-UHFFFAOYSA-N 1 0 300.443 2.156 10 0 DEAERO COc1ccc(F)c2c1CN(Cc1c(C)nn(C)c1C)[C@@H]2C[NH3+] ZINC000071683525 191006562 /nfs/dbraw/zinc/00/65/62/191006562.db2.gz RKHDWFKYJJZQKP-OAHLLOKOSA-N 1 0 318.396 2.200 10 0 DEAERO COc1cc2c(c(OC)c1OC)[C@@H](C[NH3+])N(Cc1ccco1)C2 ZINC000071684621 191008201 /nfs/dbraw/zinc/00/82/01/191008201.db2.gz OCKYULNIUKNNJT-CYBMUJFWSA-N 1 0 318.373 2.321 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1sccc1C)N1CC[C@H](NC(=O)OC)C1 ZINC000133627673 186001011 /nfs/dbraw/zinc/00/10/11/186001011.db2.gz VQMRDIVSLBQQKI-AVGNSLFASA-N 1 0 311.451 2.265 10 0 DEAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1 ZINC000138347544 186016314 /nfs/dbraw/zinc/01/63/14/186016314.db2.gz IDWBTLVMYLFOHV-NXEZZACHSA-N 1 0 318.389 2.090 10 0 DEAERO CC[C@@H](C)CN(C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138471100 186016933 /nfs/dbraw/zinc/01/69/33/186016933.db2.gz JGYYRCAPPMLDNF-SECBINFHSA-N 1 0 306.378 2.090 10 0 DEAERO C[C@@H](C[NH3+])CCc1nc(-c2ccc(Br)cn2)no1 ZINC000139837488 186024598 /nfs/dbraw/zinc/02/45/98/186024598.db2.gz CDDZKVINDFKWBF-MRVPVSSYSA-N 1 0 311.183 2.422 10 0 DEAERO C[NH2+][C@H](Cc1ccnc(N)c1)c1ccc(Br)cn1 ZINC000140201744 186026007 /nfs/dbraw/zinc/02/60/07/186026007.db2.gz UZZKRLXANABLGY-GFCCVEGCSA-N 1 0 307.195 2.325 10 0 DEAERO CC[NH2+][C@@H](Cc1ncnn1CC)c1ncccc1Br ZINC000140517005 186026531 /nfs/dbraw/zinc/02/65/31/186026531.db2.gz BJWBVRRJVYTJFY-NSHDSACASA-N 1 0 324.226 2.349 10 0 DEAERO CC[C@@]1(C)N[C@@H](c2ccsc2)N(C2CC[NH+](C)CC2)C1=O ZINC000141183285 186029060 /nfs/dbraw/zinc/02/90/60/186029060.db2.gz LOMNBZVVILAQPF-GDBMZVCRSA-N 1 0 307.463 2.441 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2c(C)n[nH]c2C)[C@@H](C)C1 ZINC000248432742 539773846 /nfs/dbraw/zinc/77/38/46/539773846.db2.gz CJUUGARSZDVORF-HUBLWGQQSA-N 1 0 306.454 2.319 10 0 DEAERO CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCC(F)F)cc1 ZINC000147896705 186042433 /nfs/dbraw/zinc/04/24/33/186042433.db2.gz CJDWGNGWSLERNB-SNVBAGLBSA-N 1 0 306.378 2.291 10 0 DEAERO CCn1cc(S(=O)(=O)NCCCCC(C)C)cc1C[NH3+] ZINC000147932531 186042475 /nfs/dbraw/zinc/04/24/75/186042475.db2.gz JMLQFMVZOWNJMY-UHFFFAOYSA-N 1 0 301.456 2.071 10 0 DEAERO C[C@H]1OCC[C@]1(C[NH3+])N(C)Cc1ccc(Br)cc1 ZINC000147944806 186042774 /nfs/dbraw/zinc/04/27/74/186042774.db2.gz QGFDTSMVRCFSIN-BXUZGUMPSA-N 1 0 313.239 2.387 10 0 DEAERO CC[C@]1(C)N[C@@H](c2ccsc2)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000142802074 186033017 /nfs/dbraw/zinc/03/30/17/186033017.db2.gz XCXIJIDXUKTOOW-FMKPAKJESA-N 1 0 307.463 2.441 10 0 DEAERO C[C@H](OCC1CC1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248142809 539772547 /nfs/dbraw/zinc/77/25/47/539772547.db2.gz YYOXJJPNVVUKSO-JQFCIGGWSA-N 1 0 302.418 2.363 10 0 DEAERO O=C1N(CC[NH+]2CCCCC2)[C@H](c2cccs2)NC12CC2 ZINC000144075201 186034734 /nfs/dbraw/zinc/03/47/34/186034734.db2.gz KRCDUHYAXUWEJX-CQSZACIVSA-N 1 0 305.447 2.197 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)N1C(=O)C2(CC2)N[C@H]1c1ccsc1 ZINC000145809066 186038067 /nfs/dbraw/zinc/03/80/67/186038067.db2.gz BHZZVKOXTQAGCT-GXTWGEPZSA-N 1 0 305.447 2.195 10 0 DEAERO Cn1cc(CC[NH2+][C@H](c2cccs2)c2nccn2C)cn1 ZINC000148843088 186046034 /nfs/dbraw/zinc/04/60/34/186046034.db2.gz PRHLJVUZZDCHMA-CQSZACIVSA-N 1 0 301.419 2.137 10 0 DEAERO C[C@H](CS(=O)(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000149375333 186049449 /nfs/dbraw/zinc/04/94/49/186049449.db2.gz XYEFFGVKVIKVTP-CABCVRRESA-N 1 0 310.463 2.099 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000149600546 186051327 /nfs/dbraw/zinc/05/13/27/186051327.db2.gz VAKXUOCYIAKYCD-SECBINFHSA-N 1 0 318.826 2.057 10 0 DEAERO CCc1nn(C)c(C[NH2+][C@H]2CCO[C@H]2C)c1Br ZINC000149589866 186051495 /nfs/dbraw/zinc/05/14/95/186051495.db2.gz IQDVUCLFWGZUPX-WPRPVWTQSA-N 1 0 302.216 2.012 10 0 DEAERO C[C@H](CS(=O)(=O)NC[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000149595797 186051539 /nfs/dbraw/zinc/05/15/39/186051539.db2.gz WIEFNXDRPHOWAE-BMFZPTHFSA-N 1 0 310.463 2.085 10 0 DEAERO C[NH2+]Cc1sccc1S(=O)(=O)NCCCC(F)(F)F ZINC000149986925 186054202 /nfs/dbraw/zinc/05/42/02/186054202.db2.gz FVFAYMUHOHHBCS-UHFFFAOYSA-N 1 0 316.370 2.088 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(-c3ccncc3)on2)[C@@H](C)C1 ZINC000155650746 186099585 /nfs/dbraw/zinc/09/95/85/186099585.db2.gz DQQZYWCEVRYIIM-WFASDCNBSA-N 1 0 314.389 2.195 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)COc1ccc(F)cc1Cl ZINC000155715035 186105818 /nfs/dbraw/zinc/10/58/18/186105818.db2.gz ZYETYERHKSXTAS-PHIMTYICSA-N 1 0 314.788 2.409 10 0 DEAERO O=C(NC[C@H]1CCCC[NH2+]1)c1cccc(F)c1Br ZINC000155977837 186124779 /nfs/dbraw/zinc/12/47/79/186124779.db2.gz QADNWZHOGKQBST-SECBINFHSA-N 1 0 315.186 2.460 10 0 DEAERO COc1ccc(Br)cc1C[NH2+]C[C@@H](C)[S@](C)=O ZINC000159653510 186133062 /nfs/dbraw/zinc/13/30/62/186133062.db2.gz JUNMBZMVIRUHGF-VVVCHXIZSA-N 1 0 320.252 2.314 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CN(c2ncc(Cl)cc2Br)CCO1 ZINC000159683338 186135057 /nfs/dbraw/zinc/13/50/57/186135057.db2.gz VYYUTSIBEWNOSF-XVKPBYJWSA-N 1 0 320.618 2.050 10 0 DEAERO CCc1ccc(NC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC)cc1F ZINC000164134123 186150211 /nfs/dbraw/zinc/15/02/11/186150211.db2.gz AVOKDSIDYBAIPG-LBPRGKRZSA-N 1 0 323.412 2.173 10 0 DEAERO C[C@H](C(=O)Nc1ccc(F)cc1Br)C1C[NH2+]C1 ZINC000163865716 186140528 /nfs/dbraw/zinc/14/05/28/186140528.db2.gz ZMLVEOGMHUNBFF-ZETCQYMHSA-N 1 0 301.159 2.382 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000164276373 186154239 /nfs/dbraw/zinc/15/42/39/186154239.db2.gz SWDCKXHYAPQXPH-IUCAKERBSA-N 1 0 300.200 2.094 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2[C@H](C)C[C@@H]1S(=O)(=O)CCCOC ZINC000164296754 186155104 /nfs/dbraw/zinc/15/51/04/186155104.db2.gz RZQDNYRMGDTSQM-UHOFOFEASA-N 1 0 311.447 2.274 10 0 DEAERO CC[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Oc1cccc(F)c1 ZINC000175641550 186183966 /nfs/dbraw/zinc/18/39/66/186183966.db2.gz NAZBFIWMFWWBHT-GJZGRUSLSA-N 1 0 323.412 2.329 10 0 DEAERO CC(C)c1csc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000177908829 186202904 /nfs/dbraw/zinc/20/29/04/186202904.db2.gz 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SSRGXVUIFKIKQF-UHFFFAOYSA-N 1 0 306.454 2.436 10 0 DEAERO Cc1ccc(C[C@H](C)NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)s1 ZINC000080248270 192017149 /nfs/dbraw/zinc/01/71/49/192017149.db2.gz UUWGSQBRAWVHEO-AAEUAGOBSA-N 1 0 316.492 2.049 10 0 DEAERO CCn1c(C)nnc1CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693310 356208791 /nfs/dbraw/zinc/20/87/91/356208791.db2.gz IETQDATXFXFODV-ZFWWWQNUSA-N 1 0 305.470 2.349 10 0 DEAERO CC[C@@H]1CC(=O)[C@@H]2Oc3c4c(ccc3O)C[C@@H]3[C@H]1[C@@]42CC[N@@H+]3C ZINC000209510501 356269673 /nfs/dbraw/zinc/26/96/73/356269673.db2.gz QSKKOOHSRYUZQA-JTJXXDHKSA-N 1 0 313.397 2.266 10 0 DEAERO C[C@@H]([NH3+])c1csc(NC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000080864061 192196398 /nfs/dbraw/zinc/19/63/98/192196398.db2.gz PBGJEIBMHNGDJM-MRVPVSSYSA-N 1 0 305.359 2.186 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)C2CCCC2)C1 ZINC000246347728 356313147 /nfs/dbraw/zinc/31/31/47/356313147.db2.gz JNTLNQZGYCXTDT-GDBMZVCRSA-N 1 0 311.470 2.221 10 0 DEAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)Nc2cc(C(N)=O)ccc2Cl)C1 ZINC000080913802 192201237 /nfs/dbraw/zinc/20/12/37/192201237.db2.gz SLNXIHLMQYOUNL-VFZGTOFNSA-N 1 0 309.797 2.285 10 0 DEAERO C[C@@H]([NH2+]CCc1ccn(C)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400341761 283156226 /nfs/dbraw/zinc/15/62/26/283156226.db2.gz GXTAXDVGGAWWKG-KGLIPLIRSA-N 1 0 322.453 2.198 10 0 DEAERO O[C@H](c1cccc(I)c1)[C@@H]1CCC[NH2+]1 ZINC000306186684 356402564 /nfs/dbraw/zinc/40/25/64/356402564.db2.gz SNWLZZOFBJOYNL-WDEREUQCSA-N 1 0 303.143 2.077 10 0 DEAERO [NH3+]Cc1ccnc(C(F)(F)F)c1I ZINC000306950586 356406122 /nfs/dbraw/zinc/40/61/22/356406122.db2.gz ZMDVAGPHHKDCOK-UHFFFAOYSA-N 1 0 302.037 2.164 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1c1ncc(I)s1 ZINC000307703826 356409201 /nfs/dbraw/zinc/40/92/01/356409201.db2.gz WEZCJCVMTYNEHH-RNFRBKRXSA-N 1 0 308.188 2.461 10 0 DEAERO C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000328622359 356461712 /nfs/dbraw/zinc/46/17/12/356461712.db2.gz BFAJZQIMLQRTKP-BPUTZDHNSA-N 1 0 322.428 2.188 10 0 DEAERO CC(=O)N(C1CCC1)[C@@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)CC1 ZINC000328622682 356463433 /nfs/dbraw/zinc/46/34/33/356463433.db2.gz BMLOFVONAPLHQJ-ZIAGYGMSSA-N 1 0 322.371 2.165 10 0 DEAERO Brc1ccccc1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404054540 283164261 /nfs/dbraw/zinc/16/42/61/283164261.db2.gz GHFBQEFQYVBBSP-ZIAGYGMSSA-N 1 0 311.223 2.012 10 0 DEAERO Brc1ccccc1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404054537 283164389 /nfs/dbraw/zinc/16/43/89/283164389.db2.gz GHFBQEFQYVBBSP-UONOGXRCSA-N 1 0 311.223 2.012 10 0 DEAERO Cc1nn(C)c(Cl)c1C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328655435 356466910 /nfs/dbraw/zinc/46/69/10/356466910.db2.gz YKKOFDLJMSWSPB-LBPRGKRZSA-N 1 0 307.829 2.273 10 0 DEAERO O=S(=O)(c1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000081571978 192295122 /nfs/dbraw/zinc/29/51/22/192295122.db2.gz XWYHIBACFZTGGV-UHFFFAOYSA-N 1 0 308.447 2.183 10 0 DEAERO FC(F)(F)c1ccnc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000081586823 192297123 /nfs/dbraw/zinc/29/71/23/192297123.db2.gz PTWRRRSUDFUWMD-MNOVXSKESA-N 1 0 300.328 2.464 10 0 DEAERO C[NH+](C)CC[C@H](NC(=O)[C@H]1CCCn2ccnc21)C(C)(C)C ZINC000081755674 192319735 /nfs/dbraw/zinc/31/97/35/192319735.db2.gz PADQUUXSZUEPPT-KBPBESRZSA-N 1 0 306.454 2.243 10 0 DEAERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N[C@H](C)CCOC)c1 ZINC000081717825 192316666 /nfs/dbraw/zinc/31/66/66/192316666.db2.gz MGDGRKFUKGABNJ-IUODEOHRSA-N 1 0 314.451 2.060 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000236903655 202063910 /nfs/dbraw/zinc/06/39/10/202063910.db2.gz MWFDXZLVRQWILR-ZUZCIYMTSA-N 1 0 303.406 2.199 10 0 DEAERO CC(C)c1n[nH]cc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000189478744 535323885 /nfs/dbraw/zinc/32/38/85/535323885.db2.gz UYYLBEBPCZOSEY-UHFFFAOYSA-N 1 0 322.453 2.106 10 0 DEAERO CCc1cnc(CCNC(=O)C[C@@H](C)C2CC[NH2+]CC2)s1 ZINC000237008623 202120226 /nfs/dbraw/zinc/12/02/26/202120226.db2.gz BKAZECXMKZSDQX-GFCCVEGCSA-N 1 0 309.479 2.390 10 0 DEAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)s1 ZINC000400325231 356723653 /nfs/dbraw/zinc/72/36/53/356723653.db2.gz ZOEPJBAVGCGCKF-LLVKDONJSA-N 1 0 316.492 2.169 10 0 DEAERO O=S1(=O)CCC(C[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000578070667 356757465 /nfs/dbraw/zinc/75/74/65/356757465.db2.gz SUDPZNJYNSTZJL-UHFFFAOYSA-N 1 0 323.458 2.149 10 0 DEAERO c1nc(-c2ccncc2)sc1C[NH2+]CCN1CCCOCC1 ZINC000578370303 356805696 /nfs/dbraw/zinc/80/56/96/356805696.db2.gz XSWFDEXGMXKYPF-UHFFFAOYSA-N 1 0 318.446 2.017 10 0 DEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)Cc1cccc(OC)c1 ZINC000086979023 192605100 /nfs/dbraw/zinc/60/51/00/192605100.db2.gz IHTITCLFIXDRAY-OAHLLOKOSA-N 1 0 313.463 2.431 10 0 DEAERO CCS(=O)(=O)CCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)(C)C ZINC000086982245 192606615 /nfs/dbraw/zinc/60/66/15/192606615.db2.gz LYVQPUKELWAELW-HUUCEWRRSA-N 1 0 318.527 2.156 10 0 DEAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CSC2(C)C)c1 ZINC000578642548 356849989 /nfs/dbraw/zinc/84/99/89/356849989.db2.gz PUDXGCMIIOCILF-HIFRSBDPSA-N 1 0 309.431 2.113 10 0 DEAERO CCC[C@H]1CN(CCCS(=O)(=O)CC)[C@H](C(C)(C)C)C[NH2+]1 ZINC000086982196 192606936 /nfs/dbraw/zinc/60/69/36/192606936.db2.gz KRCWZVHSJIVJHY-GJZGRUSLSA-N 1 0 318.527 2.300 10 0 DEAERO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000578741020 356864270 /nfs/dbraw/zinc/86/42/70/356864270.db2.gz BKCCRFWUDRIZJD-OQIJWPOYSA-N 1 0 317.429 2.336 10 0 DEAERO CC[C@H]1CN(Cc2nc(-c3ccoc3)no2)C[C@@]2(CCOC2)O1 ZINC000579906082 357047651 /nfs/dbraw/zinc/04/76/51/357047651.db2.gz KZOQWDMLZAQEQO-XJKSGUPXSA-N 1 0 319.361 2.100 10 0 DEAERO CNc1c(N)c[nH+]c2c(C)c(I)ccc12 ZINC000584882269 357324468 /nfs/dbraw/zinc/32/44/68/357324468.db2.gz YJHYZIZIPXCMJO-UHFFFAOYSA-N 1 0 313.142 2.194 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)C2CCC(C)CC2)nc1 ZINC000088993890 192686800 /nfs/dbraw/zinc/68/68/00/192686800.db2.gz IGEQLZQKHWCAJO-UHFFFAOYSA-N 1 0 311.451 2.000 10 0 DEAERO CCCCC[C@@H](C)NS(=O)(=O)c1cc(C[NH3+])n(CC)c1 ZINC000088998327 192689356 /nfs/dbraw/zinc/68/93/56/192689356.db2.gz GLNZVFUGTXVJFY-GFCCVEGCSA-N 1 0 301.456 2.214 10 0 DEAERO CCc1n[nH]cc1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000589111034 357443981 /nfs/dbraw/zinc/44/39/81/357443981.db2.gz VBYNWZCSTHUURE-BETUJISGSA-N 1 0 306.454 2.458 10 0 DEAERO CC1([NH3+])CCN(c2ccc(I)cn2)CC1 ZINC000591435889 357721744 /nfs/dbraw/zinc/72/17/44/357721744.db2.gz ZIWJGHLJRHAXFG-UHFFFAOYSA-N 1 0 317.174 2.004 10 0 DEAERO C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)[C@@H](C[NH3+])C1 ZINC000235637474 290587948 /nfs/dbraw/zinc/58/79/48/290587948.db2.gz HBAXJKCGHYYVAY-GXSJLCMTSA-N 1 0 320.817 2.227 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(CCC(=O)OC)cc1)[NH+](C)C ZINC000179218307 199000846 /nfs/dbraw/zinc/00/08/46/199000846.db2.gz QHOWZZBVZXECGW-OAHLLOKOSA-N 1 0 306.406 2.461 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(O)c2)[C@@H]1c1ccccc1 ZINC000179222868 199001024 /nfs/dbraw/zinc/00/10/24/199001024.db2.gz RXOWNMHDBKNGEV-HKUYNNGSSA-N 1 0 310.397 2.496 10 0 DEAERO COCCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179264248 199007167 /nfs/dbraw/zinc/00/71/67/199007167.db2.gz MDXAECCBIPIIEY-CVEARBPZSA-N 1 0 305.422 2.110 10 0 DEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000180132091 199120934 /nfs/dbraw/zinc/12/09/34/199120934.db2.gz RWNDOIKCWCAFNB-CYBMUJFWSA-N 1 0 304.419 2.017 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000180132073 199121596 /nfs/dbraw/zinc/12/15/96/199121596.db2.gz RWNDOIKCWCAFNB-ZDUSSCGKSA-N 1 0 304.419 2.017 10 0 DEAERO CCN(CC(F)(F)F)S(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000089007639 192693290 /nfs/dbraw/zinc/69/32/90/192693290.db2.gz VALQBNPRSYWFIM-UHFFFAOYSA-N 1 0 324.368 2.151 10 0 DEAERO CC[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC)cc1 ZINC000180472218 199162843 /nfs/dbraw/zinc/16/28/43/199162843.db2.gz QHOZPBPYUZAWDZ-WBVHZDCISA-N 1 0 302.418 2.495 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(F)cc1OC(F)F ZINC000180501173 199167808 /nfs/dbraw/zinc/16/78/08/199167808.db2.gz FVTVQPFVUWBQQF-CMPLNLGQSA-N 1 0 318.339 2.408 10 0 DEAERO CCCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000180722428 199201950 /nfs/dbraw/zinc/20/19/50/199201950.db2.gz CIFKWNZZXPHXCH-SECBINFHSA-N 1 0 315.776 2.366 10 0 DEAERO CCn1cc([C@H](C)[NH2+]CCCNC(=O)c2cccs2)cn1 ZINC000180833673 199215607 /nfs/dbraw/zinc/21/56/07/199215607.db2.gz PXEGJPTWLKHVHK-LBPRGKRZSA-N 1 0 306.435 2.435 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)c2cccc(F)c2)sc1C[NH3+] ZINC000089021214 192700455 /nfs/dbraw/zinc/70/04/55/192700455.db2.gz AYZOIOFTRXJBCY-UHFFFAOYSA-N 1 0 314.407 2.479 10 0 DEAERO OC[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000089504889 192804301 /nfs/dbraw/zinc/80/43/01/192804301.db2.gz MLNGUPXJVZYNRP-CHWSQXEVSA-N 1 0 308.388 2.401 10 0 DEAERO Cc1csc([C@H](C)CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000186785344 200010387 /nfs/dbraw/zinc/01/03/87/200010387.db2.gz RGMYIFRQKVOPQN-KWCYVHTRSA-N 1 0 322.478 2.433 10 0 DEAERO C[N@H+](C[C@H](O)c1cccc(Br)c1)CC1(CO)CC1 ZINC000186808252 200013887 /nfs/dbraw/zinc/01/38/87/200013887.db2.gz IXCBRIUULOZCSH-ZDUSSCGKSA-N 1 0 314.223 2.187 10 0 DEAERO C[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1C)C(=O)c1cccc(F)c1 ZINC000186819816 200016278 /nfs/dbraw/zinc/01/62/78/200016278.db2.gz FOCXMEKLCFSNGA-JMSVASOKSA-N 1 0 306.381 2.149 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000186835986 200018607 /nfs/dbraw/zinc/01/86/07/200018607.db2.gz MSFVQZOMPBUFNE-DYVFJYSZSA-N 1 0 314.429 2.252 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000186836022 200018952 /nfs/dbraw/zinc/01/89/52/200018952.db2.gz MSFVQZOMPBUFNE-CXAGYDPISA-N 1 0 314.429 2.252 10 0 DEAERO CCOc1ccccc1C(F)(F)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000186898675 200028364 /nfs/dbraw/zinc/02/83/64/200028364.db2.gz WEXWBOPNPWUOPY-OUCADQQQSA-N 1 0 324.371 2.373 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]nc1-c1ccsc1 ZINC000186966142 200040290 /nfs/dbraw/zinc/04/02/90/200040290.db2.gz DTCIZYDTDYBBQG-DGCLKSJQSA-N 1 0 316.430 2.447 10 0 DEAERO C[NH+](C)CCCNC(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000186975740 200042266 /nfs/dbraw/zinc/04/22/66/200042266.db2.gz KRAMUJSPHLFKRN-UHFFFAOYSA-N 1 0 322.409 2.110 10 0 DEAERO CC[N@H+](CCO)CCNC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000187080413 200058645 /nfs/dbraw/zinc/05/86/45/200058645.db2.gz KCPDSFUFUZMCKT-GFCCVEGCSA-N 1 0 313.829 2.014 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)Cc2cccs2)C1 ZINC000187963654 200183655 /nfs/dbraw/zinc/18/36/55/200183655.db2.gz ZPPFRSGRTHSOKX-CZUORRHYSA-N 1 0 310.463 2.189 10 0 DEAERO CCCCOc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000187874470 200169564 /nfs/dbraw/zinc/16/95/64/200169564.db2.gz OHHLBONSONGNDQ-AWEZNQCLSA-N 1 0 306.410 2.428 10 0 DEAERO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc(Cl)cc1 ZINC000188238959 200214524 /nfs/dbraw/zinc/21/45/24/200214524.db2.gz IREUIVVOIZGYMO-SECBINFHSA-N 1 0 304.781 2.200 10 0 DEAERO CO[C@H]1C[N@H+](Cc2ccccc2N2CCOCC2)CC[C@@H]1C ZINC000188329349 200228708 /nfs/dbraw/zinc/22/87/08/200228708.db2.gz CJYFHESYZPNIKO-YJBOKZPZSA-N 1 0 304.434 2.380 10 0 DEAERO COc1ccc(F)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1OC ZINC000188451321 200249469 /nfs/dbraw/zinc/24/94/69/200249469.db2.gz GYSDIVRZPHAUIU-VXGBXAGGSA-N 1 0 322.380 2.152 10 0 DEAERO COc1ccccc1/C=C/CN1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000188741944 200298041 /nfs/dbraw/zinc/29/80/41/200298041.db2.gz RNOMRCGDSIQORN-MNDMWVCDSA-N 1 0 318.461 2.485 10 0 DEAERO O=C1[C@H]([NH2+][C@H]2CCCSC2)CCN1Cc1ccc(F)cc1 ZINC000189055808 200342010 /nfs/dbraw/zinc/34/20/10/200342010.db2.gz YYHPNUSGVXVGTF-LSDHHAIUSA-N 1 0 308.422 2.412 10 0 DEAERO CO[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3C)no2)CC[C@@H]1C ZINC000189357046 200386552 /nfs/dbraw/zinc/38/65/52/200386552.db2.gz YDNKZIPYLLEEAF-MEDUHNTESA-N 1 0 304.394 2.240 10 0 DEAERO O=C(NCC1=CC[NH2+]CC1)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000189291988 200376601 /nfs/dbraw/zinc/37/66/01/200376601.db2.gz AUMGDTDOZOSONG-DLBZAZTESA-N 1 0 300.402 2.190 10 0 DEAERO O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000189291943 200376607 /nfs/dbraw/zinc/37/66/07/200376607.db2.gz AUMGDTDOZOSONG-IAGOWNOFSA-N 1 0 300.402 2.190 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+](C)CCCO ZINC000440956595 238000380 /nfs/dbraw/zinc/00/03/80/238000380.db2.gz YTUAEWWWXKTQQX-LSDHHAIUSA-N 1 0 318.461 2.445 10 0 DEAERO CO[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443613443 238115929 /nfs/dbraw/zinc/11/59/29/238115929.db2.gz BDANGDDPAFVOJI-OLZOCXBDSA-N 1 0 303.324 2.330 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1CCc2ccccc2C1 ZINC000605059672 360953514 /nfs/dbraw/zinc/95/35/14/360953514.db2.gz YWABDHBARIFMEZ-OAHLLOKOSA-N 1 0 324.428 2.020 10 0 DEAERO COC[C@H](NC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000606667699 361031433 /nfs/dbraw/zinc/03/14/33/361031433.db2.gz KXPRBEDDJHZOTQ-PBHICJAKSA-N 1 0 319.449 2.404 10 0 DEAERO O=C(Nc1ccc2nccn2c1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000606950363 361057312 /nfs/dbraw/zinc/05/73/12/361057312.db2.gz BTMIYAUJHAIYOS-SNVBAGLBSA-N 1 0 314.267 2.129 10 0 DEAERO CN1CCO[C@@H](C[N@@H+](Cc2ccc3c[nH]nc3c2)CC2CC2)C1 ZINC000275789517 212537448 /nfs/dbraw/zinc/53/74/48/212537448.db2.gz SGBNXWIDGNTILW-QGZVFWFLSA-N 1 0 314.433 2.106 10 0 DEAERO COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)CC[C@H](C)[NH3+] ZINC000193200980 201005736 /nfs/dbraw/zinc/00/57/36/201005736.db2.gz VCBSLEAPUIBBCM-HOCLYGCPSA-N 1 0 320.433 2.330 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000193212125 201007446 /nfs/dbraw/zinc/00/74/46/201007446.db2.gz DHXXGIVUQJBTIS-OAHLLOKOSA-N 1 0 323.481 2.145 10 0 DEAERO O=C(c1cc(O)ccc1C(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000193174731 201002194 /nfs/dbraw/zinc/00/21/94/201002194.db2.gz JSYBHISJKJEUKU-JTQLQIEISA-N 1 0 314.307 2.331 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cccc(Cl)n2)CC1 ZINC000193422416 201050398 /nfs/dbraw/zinc/05/03/98/201050398.db2.gz PEKXGLXOLXWYGB-AWEZNQCLSA-N 1 0 308.857 2.341 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000193511331 201066393 /nfs/dbraw/zinc/06/63/93/201066393.db2.gz NRXHVSOYDIRAGC-IAQYHMDHSA-N 1 0 318.808 2.396 10 0 DEAERO CSCC[C@H](C)N(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610478449 361405081 /nfs/dbraw/zinc/40/50/81/361405081.db2.gz YEHSPXQMIUADEM-LBPRGKRZSA-N 1 0 313.471 2.050 10 0 DEAERO CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000628230473 366776534 /nfs/dbraw/zinc/77/65/34/366776534.db2.gz HUXAXTDZBDDJHZ-KFWWJZLASA-N 1 0 302.484 2.074 10 0 DEAERO O[C@@H](CN1CC[NH+](C[C@@H]2CCC=CO2)CC1)c1ccccc1 ZINC000193898898 201141176 /nfs/dbraw/zinc/14/11/76/201141176.db2.gz STOBBRIWARSHJX-ROUUACIJSA-N 1 0 302.418 2.030 10 0 DEAERO CC[C@H](C)NC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611405500 361592964 /nfs/dbraw/zinc/59/29/64/361592964.db2.gz FUOCGXKOUWYHIO-XJKSGUPXSA-N 1 0 320.433 2.431 10 0 DEAERO CC[C@H](C)NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611405497 361593747 /nfs/dbraw/zinc/59/37/47/361593747.db2.gz FUOCGXKOUWYHIO-BBRMVZONSA-N 1 0 320.433 2.431 10 0 DEAERO COC(=O)C(C)(C)[C@@H]([NH2+]CCn1cccn1)c1ccccc1 ZINC000611406320 361593767 /nfs/dbraw/zinc/59/37/67/361593767.db2.gz OXPYXLNZWDYUMN-HNNXBMFYSA-N 1 0 301.390 2.413 10 0 DEAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000090797171 192934201 /nfs/dbraw/zinc/93/42/01/192934201.db2.gz MHZWIWMNKFUDEC-RRFJBIMHSA-N 1 0 316.511 2.462 10 0 DEAERO CO[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620192801 363987704 /nfs/dbraw/zinc/98/77/04/363987704.db2.gz UMSSTOBFQBZGTF-WBVHZDCISA-N 1 0 316.445 2.440 10 0 DEAERO COC(=O)C1CCC(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000186260439 283750302 /nfs/dbraw/zinc/75/03/02/283750302.db2.gz XMRAGEWDMQJZHU-FHERZECASA-N 1 0 324.465 2.347 10 0 DEAERO CC(=O)c1ccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000620968384 364216620 /nfs/dbraw/zinc/21/66/20/364216620.db2.gz RYHZGSLUBPKVEL-QGZVFWFLSA-N 1 0 318.417 2.072 10 0 DEAERO c1c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)nnn1Cc1cccnc1 ZINC000628422668 366845609 /nfs/dbraw/zinc/84/56/09/366845609.db2.gz FYSLZKSVGXCFST-CVEARBPZSA-N 1 0 315.446 2.191 10 0 DEAERO CN(CCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)S(C)(=O)=O ZINC000675746667 541378753 /nfs/dbraw/zinc/37/87/53/541378753.db2.gz LSZMHQDLNVLWOS-KBPBESRZSA-N 1 0 304.500 2.462 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)CC12COC2 ZINC000449358456 240397830 /nfs/dbraw/zinc/39/78/30/240397830.db2.gz FTCVXCOKBZLXFI-OAHLLOKOSA-N 1 0 314.385 2.179 10 0 DEAERO C(=C/c1ccccc1)\C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623652619 365117310 /nfs/dbraw/zinc/11/73/10/365117310.db2.gz LFACVIXKZCJXHG-RRGWEWPQSA-N 1 0 320.400 2.006 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000091135268 193001668 /nfs/dbraw/zinc/00/16/68/193001668.db2.gz WCDISYWZMPAVQG-MXWKQRLJSA-N 1 0 310.385 2.319 10 0 DEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000623767574 365167797 /nfs/dbraw/zinc/16/77/97/365167797.db2.gz YDJGIFXPAXLURF-NWDGAFQWSA-N 1 0 320.614 2.342 10 0 DEAERO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCO[C@H]2c2cn[nH]c2)n1 ZINC000623768891 365168383 /nfs/dbraw/zinc/16/83/83/365168383.db2.gz CQKNZCSGWXYCGZ-BLLLJJGKSA-N 1 0 302.378 2.076 10 0 DEAERO O=C1[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CCN1C1CCC1 ZINC000623839808 365193733 /nfs/dbraw/zinc/19/37/33/365193733.db2.gz DOGNVTDALHWZQZ-SFHVURJKSA-N 1 0 324.428 2.174 10 0 DEAERO NC(=O)c1ccsc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360568 193046638 /nfs/dbraw/zinc/04/66/38/193046638.db2.gz DWYXFQZWRYIACT-USWWRNFRSA-N 1 0 307.419 2.096 10 0 DEAERO CC(C)C[NH2+]Cc1cncc(-n2cc(Br)cn2)n1 ZINC000091422429 193054049 /nfs/dbraw/zinc/05/40/49/193054049.db2.gz YWPRQHFTVAUZOO-UHFFFAOYSA-N 1 0 310.199 2.170 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(Br)c(C)n1 ZINC000091507117 193066825 /nfs/dbraw/zinc/06/68/25/193066825.db2.gz HBWAYHOZMLRKKH-UHFFFAOYSA-N 1 0 300.200 2.479 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)[C@](C)(CC)N1CCCC1 ZINC000091607828 193079976 /nfs/dbraw/zinc/07/99/76/193079976.db2.gz NICIDWZDPLJKAX-CVEARBPZSA-N 1 0 318.527 2.444 10 0 DEAERO COc1ccc(Br)cc1C[C@H](O)C[NH2+]C1CC1 ZINC000091466256 193059824 /nfs/dbraw/zinc/05/98/24/193059824.db2.gz DMURHWWBRQWLHC-LBPRGKRZSA-N 1 0 300.196 2.113 10 0 DEAERO C[NH2+]CC[C@@](C)(O)Cc1cc(Br)ccc1OC ZINC000091469597 193060838 /nfs/dbraw/zinc/06/08/38/193060838.db2.gz HQOWCQXDDXSFNO-CYBMUJFWSA-N 1 0 302.212 2.361 10 0 DEAERO C[N@@H+](CC(=O)Nc1ncc(Cl)cc1Cl)CC1CC(O)C1 ZINC000091489700 193063558 /nfs/dbraw/zinc/06/35/58/193063558.db2.gz CSDPGFFAQQBXID-UHFFFAOYSA-N 1 0 318.204 2.030 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccc(Br)c1 ZINC000091666882 193088564 /nfs/dbraw/zinc/08/85/64/193088564.db2.gz YBZFUXJCOJLHOY-BXUZGUMPSA-N 1 0 313.239 2.430 10 0 DEAERO c1cc(CN2CCO[C@H](C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)ccn1 ZINC000624264216 365360478 /nfs/dbraw/zinc/36/04/78/365360478.db2.gz WEPUNBZTUJGUKK-BSDSXHPESA-N 1 0 301.434 2.061 10 0 DEAERO O=C(Cc1ccc(Br)cc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714056 193096369 /nfs/dbraw/zinc/09/63/69/193096369.db2.gz ZRJFVFDBDPOKSL-UKRRQHHQSA-N 1 0 324.218 2.424 10 0 DEAERO C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)[C@H]1CN(C)CCO1 ZINC000091717594 193097101 /nfs/dbraw/zinc/09/71/01/193097101.db2.gz GPYQVAQNJUNBKB-CHWSQXEVSA-N 1 0 304.312 2.176 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccccc1Br ZINC000624235186 365344329 /nfs/dbraw/zinc/34/43/29/365344329.db2.gz GECLJQDDDHKECW-BIMULSAOSA-N 1 0 300.196 2.250 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c(Cl)c1 ZINC000624406649 365411488 /nfs/dbraw/zinc/41/14/88/365411488.db2.gz IIBMKECQLGWQOS-QWRGUYRKSA-N 1 0 302.827 2.067 10 0 DEAERO CC(C)Cc1nnc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000091988578 193137709 /nfs/dbraw/zinc/13/77/09/193137709.db2.gz FFKRTAHUSXWYKN-NWDGAFQWSA-N 1 0 323.466 2.437 10 0 DEAERO CC[C@H](COC)[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092050118 193148228 /nfs/dbraw/zinc/14/82/28/193148228.db2.gz WKBPGMPZCUNJPT-SECBINFHSA-N 1 0 313.199 2.006 10 0 DEAERO O=C(COc1ccc(Cl)c(Cl)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449738839 241014908 /nfs/dbraw/zinc/01/49/08/241014908.db2.gz GBDXXROEQAZTMP-RNCFNFMXSA-N 1 0 315.200 2.193 10 0 DEAERO CCN(Cc1ccoc1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000629600089 367269453 /nfs/dbraw/zinc/26/94/53/367269453.db2.gz RUBMZWQMIOCKAH-AWEZNQCLSA-N 1 0 302.378 2.063 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccc(NC(N)=O)cc1 ZINC000261940102 296097772 /nfs/dbraw/zinc/09/77/72/296097772.db2.gz UQRYFRZENVLDJM-RISCZKNCSA-N 1 0 318.421 2.133 10 0 DEAERO COC(=O)[C@@H](c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000117879353 283964022 /nfs/dbraw/zinc/96/40/22/283964022.db2.gz NFJZMGHOHVVYRM-QGZVFWFLSA-N 1 0 302.418 2.461 10 0 DEAERO CO[C@H]1CN(C(=O)c2cc(Cl)ccc2F)[C@](C)(C[NH3+])C1 ZINC000630367020 367614483 /nfs/dbraw/zinc/61/44/83/367614483.db2.gz NJHZTXQKHDXSKL-YGRLFVJLSA-N 1 0 300.761 2.057 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC2(C1)CC(F)(F)C2 ZINC000677734325 541623181 /nfs/dbraw/zinc/62/31/81/541623181.db2.gz UJEKOVHXOGFSES-OAHLLOKOSA-N 1 0 310.388 2.210 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc1 ZINC000092091412 193155942 /nfs/dbraw/zinc/15/59/42/193155942.db2.gz YKTWYCJGAQQEAM-ZIAGYGMSSA-N 1 0 310.463 2.463 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)o1 ZINC000092113112 193160443 /nfs/dbraw/zinc/16/04/43/193160443.db2.gz BBGDLBCKOYPPRE-TXEJJXNPSA-N 1 0 300.424 2.054 10 0 DEAERO CC[NH2+]CCc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)s1 ZINC000092113649 193161414 /nfs/dbraw/zinc/16/14/14/193161414.db2.gz MOFIWYFAQUSAIS-RYUDHWBXSA-N 1 0 316.492 2.177 10 0 DEAERO CCCN(C1CC1)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115611 193162943 /nfs/dbraw/zinc/16/29/43/193162943.db2.gz XKTNCIYRERECOX-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO CN(CC1CCCCC1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115911 193163848 /nfs/dbraw/zinc/16/38/48/193163848.db2.gz FZEHCIVRCHEYMB-UHFFFAOYSA-N 1 0 314.426 2.485 10 0 DEAERO C[C@H](N(C)S(=O)(=O)c1ccc(C[NH3+])cc1F)C(C)(C)C ZINC000092115978 193164283 /nfs/dbraw/zinc/16/42/83/193164283.db2.gz WXEJCIGJJOSSEN-JTQLQIEISA-N 1 0 302.415 2.340 10 0 DEAERO c1c(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)nnn1C[C@@H]1CCOC1 ZINC000631144602 368043985 /nfs/dbraw/zinc/04/39/85/368043985.db2.gz NWKOKQDUKWNBHK-ZVZYQTTQSA-N 1 0 312.417 2.208 10 0 DEAERO c1c(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)nnn1C[C@@H]1CCOC1 ZINC000631079025 368005752 /nfs/dbraw/zinc/00/57/52/368005752.db2.gz CISAYAPZWSOGAG-LZLYRXPVSA-N 1 0 312.417 2.035 10 0 DEAERO c1c(C2CCC2)nn2ccnc(NCC[NH+]3CCSCC3)c12 ZINC000631118089 368026554 /nfs/dbraw/zinc/02/65/54/368026554.db2.gz VJAVYYGWMFXVHV-UHFFFAOYSA-N 1 0 317.462 2.458 10 0 DEAERO COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000081338355 284016516 /nfs/dbraw/zinc/01/65/16/284016516.db2.gz PPEBFCUEBYLIOH-HUUCEWRRSA-N 1 0 322.449 2.053 10 0 DEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cc(Cl)ccc2-n2cccn2)C1 ZINC000092204130 193173105 /nfs/dbraw/zinc/17/31/05/193173105.db2.gz BALYUQUOHFUOMB-PWSUYJOCSA-N 1 0 302.765 2.368 10 0 DEAERO [NH3+][C@@H]1C=C[C@H](C(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000092206757 193173344 /nfs/dbraw/zinc/17/33/44/193173344.db2.gz ATTVZJXHALUOOV-GXSJLCMTSA-N 1 0 300.280 2.105 10 0 DEAERO COc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1Br ZINC000092208442 193173584 /nfs/dbraw/zinc/17/35/84/193173584.db2.gz MXOCRFJFYNENEK-RKDXNWHRSA-N 1 0 311.179 2.300 10 0 DEAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCO3)C1(C)C ZINC000451502439 243040185 /nfs/dbraw/zinc/04/01/85/243040185.db2.gz PNUXXAMAXMINKR-CIISACIHSA-N 1 0 320.389 2.003 10 0 DEAERO c1ccc(-c2noc(CCN3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886120 368441537 /nfs/dbraw/zinc/44/15/37/368441537.db2.gz FXIXDTLOETZCDI-HZPDHXFCSA-N 1 0 312.417 2.353 10 0 DEAERO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)c2ccccc2Cl)C1 ZINC000631979712 368478854 /nfs/dbraw/zinc/47/88/54/368478854.db2.gz WDVZLZPGTAKDST-LLVKDONJSA-N 1 0 316.854 2.397 10 0 DEAERO CCN(CC(C)(C)O)c1nc2sccn2c1C[NH2+]C(C)C ZINC000092971133 193190791 /nfs/dbraw/zinc/19/07/91/193190791.db2.gz USJSJWQRDNLVQB-UHFFFAOYSA-N 1 0 310.467 2.491 10 0 DEAERO Nc1[nH+]c2cc(Br)ccc2n1CCC(=O)NC1CC1 ZINC000092996872 193191573 /nfs/dbraw/zinc/19/15/73/193191573.db2.gz DEKYHMIPJJSQNO-UHFFFAOYSA-N 1 0 323.194 2.050 10 0 DEAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cccc3c2CCCC3)cn1 ZINC000261923414 203154141 /nfs/dbraw/zinc/15/41/41/203154141.db2.gz KQWLJRRRIOFTAN-SJORKVTESA-N 1 0 324.428 2.241 10 0 DEAERO CCS(=O)(=O)CC[C@H](C[NH2+]CCOC)c1ccc(C)cc1 ZINC000093137894 193207571 /nfs/dbraw/zinc/20/75/71/193207571.db2.gz HLPCFKOVRTXXTP-MRXNPFEDSA-N 1 0 313.463 2.139 10 0 DEAERO CCn1ncnc1C[C@H](C[NH3+])c1cccc(Br)c1 ZINC000093167410 193209526 /nfs/dbraw/zinc/20/95/26/193209526.db2.gz HHEUOMXQUJBEOZ-LLVKDONJSA-N 1 0 309.211 2.346 10 0 DEAERO CCc1ccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000093147424 193208800 /nfs/dbraw/zinc/20/88/00/193208800.db2.gz OVKAZPMNGLESNY-MRXNPFEDSA-N 1 0 305.466 2.444 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000262338375 203265391 /nfs/dbraw/zinc/26/53/91/203265391.db2.gz UBFZFBZPNYKGCG-ORQFMDKSSA-N 1 0 302.418 2.350 10 0 DEAERO Cc1nnc(-c2cccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)c2)n1C ZINC000262413094 203287962 /nfs/dbraw/zinc/28/79/62/203287962.db2.gz SVCLHWQJYGSVBF-FZMZJTMJSA-N 1 0 313.405 2.117 10 0 DEAERO C[NH2+]C[C@@H](Cc1ncnn1C)c1ccccc1Br ZINC000093181253 193211977 /nfs/dbraw/zinc/21/19/77/193211977.db2.gz UZOCHHYFTZRLEN-SNVBAGLBSA-N 1 0 309.211 2.123 10 0 DEAERO C[C@H]1C[C@@H](C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)CC[NH2+]1 ZINC000262399315 203284077 /nfs/dbraw/zinc/28/40/77/203284077.db2.gz NYPQZJLIXRPQGS-UWVGGRQHSA-N 1 0 319.796 2.452 10 0 DEAERO O=S1(=O)CC[C@@H](C2(C[C@@H]3Cc4ccccc4S3)C[NH2+]C2)C1 ZINC000093195358 193214486 /nfs/dbraw/zinc/21/44/86/193214486.db2.gz DQVQNDURXQGYHH-KGLIPLIRSA-N 1 0 323.483 2.118 10 0 DEAERO CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000262587918 203341636 /nfs/dbraw/zinc/34/16/36/203341636.db2.gz TXMBZXDZMRFVQL-CRAIPNDOSA-N 1 0 306.450 2.422 10 0 DEAERO CC(C)C[C@H](CO)[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093207964 193216726 /nfs/dbraw/zinc/21/67/26/193216726.db2.gz TZGFOXCIVXIFNE-MELADBBJSA-N 1 0 300.443 2.429 10 0 DEAERO CCCNS(=O)(=O)c1ccccc1O[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093220165 193217876 /nfs/dbraw/zinc/21/78/76/193217876.db2.gz XFKJSSYLENKFBY-QWHCGFSZSA-N 1 0 312.435 2.024 10 0 DEAERO [NH3+][C@H]1CCC[C@H](Oc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000093219734 193218075 /nfs/dbraw/zinc/21/80/75/193218075.db2.gz FSCIHQZUWWYABF-UWVGGRQHSA-N 1 0 305.346 2.332 10 0 DEAERO COCCN1C(=[NH2+])NC[C@@]1(C)c1ccccc1C(F)(F)F ZINC000093380330 193240681 /nfs/dbraw/zinc/24/06/81/193240681.db2.gz NXTZLETYOFCPQA-ZDUSSCGKSA-N 1 0 301.312 2.197 10 0 DEAERO CS(=O)(=O)c1ccccc1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093452121 193253837 /nfs/dbraw/zinc/25/38/37/193253837.db2.gz CWZYLAMXDNGNDF-MELADBBJSA-N 1 0 308.447 2.423 10 0 DEAERO COc1cc(OC)c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c(OC)c1 ZINC000093479831 193257485 /nfs/dbraw/zinc/25/74/85/193257485.db2.gz HBGQHAKQQOQLPN-NCNPBXTDSA-N 1 0 321.417 2.305 10 0 DEAERO NC1=[NH+]C[C@@H](C2CCOCC2)N1c1ccccc1Br ZINC000093382755 193240986 /nfs/dbraw/zinc/24/09/86/193240986.db2.gz YSCFNWRQRNIQAU-ZDUSSCGKSA-N 1 0 324.222 2.379 10 0 DEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000248814775 284167182 /nfs/dbraw/zinc/16/71/82/284167182.db2.gz DICTXHZGPUSUHB-XQLPTFJDSA-N 1 0 321.417 2.278 10 0 DEAERO Cc1nn(CC[C@@H]2CCC[C@]2([NH2+]C(C)C)C(N)=O)cc1Cl ZINC000093615996 193275513 /nfs/dbraw/zinc/27/55/13/193275513.db2.gz LLHYFNUGVHPPQK-SWLSCSKDSA-N 1 0 312.845 2.257 10 0 DEAERO Cc1c(Cl)cnn1CC[C@@H]1CCC[C@@]1([NH2+]C1CC1)C(N)=O ZINC000093616122 193275627 /nfs/dbraw/zinc/27/56/27/193275627.db2.gz ZTSCDCBLUBRYJA-NHYWBVRUSA-N 1 0 310.829 2.011 10 0 DEAERO NC(=O)[C@]1([NH3+])CCC[C@H]1CCSc1nc2ccccc2[nH]1 ZINC000093629106 193276174 /nfs/dbraw/zinc/27/61/74/193276174.db2.gz OIQQIDYNYNVXHO-BONVTDFDSA-N 1 0 304.419 2.028 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccsc1 ZINC000093696863 193291696 /nfs/dbraw/zinc/29/16/96/193291696.db2.gz WPUNRCYDNANQBK-RYUDHWBXSA-N 1 0 302.465 2.070 10 0 DEAERO CC(C)CCC[C@H](C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696538 193292031 /nfs/dbraw/zinc/29/20/31/193292031.db2.gz MZBOMCFCQSEVFB-LSDHHAIUSA-N 1 0 304.500 2.462 10 0 DEAERO CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccs1 ZINC000093699809 193293985 /nfs/dbraw/zinc/29/39/85/193293985.db2.gz POYUPKWBVBHUDM-STQMWFEESA-N 1 0 316.492 2.460 10 0 DEAERO CC[NH2+][C@@H](CCC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700125 193293999 /nfs/dbraw/zinc/29/39/99/193293999.db2.gz WKFZZCHUKRCARC-GJZGRUSLSA-N 1 0 304.500 2.462 10 0 DEAERO CC(C)C[NH2+]CC1(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCC1 ZINC000093701621 193294620 /nfs/dbraw/zinc/29/46/20/193294620.db2.gz AHEVKYLKJFVPSL-HNNXBMFYSA-N 1 0 316.511 2.464 10 0 DEAERO CCC[C@](C)(C[NH2+]CC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701507 193294667 /nfs/dbraw/zinc/29/46/67/193294667.db2.gz OMCJVINFFIUQDG-CABCVRRESA-N 1 0 304.500 2.464 10 0 DEAERO Cc1cccc([C@@H](C[NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000093701652 193294712 /nfs/dbraw/zinc/29/47/12/193294712.db2.gz QVOXZKBNYMIVHS-GOEBONIOSA-N 1 0 310.463 2.099 10 0 DEAERO CC1CCC(C[NH3+])(C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093702774 193295844 /nfs/dbraw/zinc/29/58/44/193295844.db2.gz KZGOVFBUJIHPNP-SHARSMKWSA-N 1 0 302.484 2.203 10 0 DEAERO COC(=O)[C@@]1(C)CC[N@H+](Cc2c(C)nc3sc(C)cn23)C1 ZINC000093813954 193311731 /nfs/dbraw/zinc/31/17/31/193311731.db2.gz ZPWBYPQPIMCAPG-HNNXBMFYSA-N 1 0 307.419 2.398 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H](n2ccnc2-c2cccs2)C1 ZINC000093759431 193300923 /nfs/dbraw/zinc/30/09/23/193300923.db2.gz VXCBUWBWXHXLHQ-ABAIWWIYSA-N 1 0 304.419 2.170 10 0 DEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H](SC2CCOCC2)C1 ZINC000093779714 193306303 /nfs/dbraw/zinc/30/63/03/193306303.db2.gz MBSLBXUILFTYTN-UKRRQHHQSA-N 1 0 300.468 2.063 10 0 DEAERO [NH3+][C@]1(CO)CCC[C@@H](Sc2nnc(C3CC3)n2C2CC2)C1 ZINC000093786496 193307952 /nfs/dbraw/zinc/30/79/52/193307952.db2.gz DNRULZKJQPLMDJ-IUODEOHRSA-N 1 0 308.451 2.215 10 0 DEAERO NC(=O)COC[C@@H]([NH3+])c1ccc(Br)c2ccccc21 ZINC000093658368 193285636 /nfs/dbraw/zinc/28/56/36/193285636.db2.gz MZALHMIXEOIHNC-CYBMUJFWSA-N 1 0 323.190 2.104 10 0 DEAERO COc1c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)nn1C ZINC000093683685 193288531 /nfs/dbraw/zinc/28/85/31/193288531.db2.gz QPGVOBIXJKPCAC-HNNXBMFYSA-N 1 0 306.454 2.045 10 0 DEAERO C[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000094009081 193338708 /nfs/dbraw/zinc/33/87/08/193338708.db2.gz MQQHZLQQZGIFDK-DAXOMENPSA-N 1 0 310.825 2.472 10 0 DEAERO C[NH2+][C@@]1(CO)CC[C@H](Sc2ccc(Br)cn2)C1 ZINC000093861020 193319636 /nfs/dbraw/zinc/31/96/36/193319636.db2.gz GJKLJZIEXWZOTN-JQWIXIFHSA-N 1 0 317.252 2.439 10 0 DEAERO CCC[NH2+][C@]1(CO)CC[C@@H](n2cc(Br)cn2)C1 ZINC000093857925 193320048 /nfs/dbraw/zinc/32/00/48/193320048.db2.gz VDPRASQNKUAPHT-VXGBXAGGSA-N 1 0 302.216 2.101 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1c(F)cc(F)cc1F ZINC000093878195 193322353 /nfs/dbraw/zinc/32/23/53/193322353.db2.gz SBPPWWRUSGEIKU-UHFFFAOYSA-N 1 0 324.368 2.099 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(F)ccc1F ZINC000093891018 193323722 /nfs/dbraw/zinc/32/37/22/193323722.db2.gz JZYOPZIHANKOTD-UHFFFAOYSA-N 1 0 320.405 2.350 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@@H]1CN(C)CCN1C ZINC000093895016 193325127 /nfs/dbraw/zinc/32/51/27/193325127.db2.gz KEQVPKLEMWCCAE-CVEARBPZSA-N 1 0 313.848 2.246 10 0 DEAERO CCN(CC1CC[NH2+]CC1)C(=O)c1snnc1C(C)(C)C ZINC000094022346 193339124 /nfs/dbraw/zinc/33/91/24/193339124.db2.gz FTDOQBJOFRDWCL-UHFFFAOYSA-N 1 0 310.467 2.297 10 0 DEAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000093938970 193330001 /nfs/dbraw/zinc/33/00/01/193330001.db2.gz WBOWCYZSOBNIMA-NSHDSACASA-N 1 0 317.202 2.008 10 0 DEAERO CC(C)(C)[NH2+]Cc1cc(F)c(SC[C@H](O)CO)c(F)c1 ZINC000093960732 193332333 /nfs/dbraw/zinc/33/23/33/193332333.db2.gz ZVZHECZUMRVLGK-SNVBAGLBSA-N 1 0 305.390 2.298 10 0 DEAERO CCN1CCO[C@@H]([C@@H](Cc2nc(C(C)(C)C)cs2)[NH2+]C)C1 ZINC000094257041 193355144 /nfs/dbraw/zinc/35/51/44/193355144.db2.gz XEABZMDLNDCGJT-CHWSQXEVSA-N 1 0 311.495 2.292 10 0 DEAERO CC[NH2+][C@H]1[C@H](C[NH+](CCOC)CCOC)CCCC1(C)C ZINC000094287855 193356045 /nfs/dbraw/zinc/35/60/45/193356045.db2.gz JVSSRRNHEBDSET-HOTGVXAUSA-N 1 0 300.487 2.386 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CCS(C)(=O)=O ZINC000094297253 193356737 /nfs/dbraw/zinc/35/67/37/193356737.db2.gz RWVZWHUZVKZQCL-KGLIPLIRSA-N 1 0 318.870 2.095 10 0 DEAERO CCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1CN(C)CCS(C)(=O)=O ZINC000094300360 193357356 /nfs/dbraw/zinc/35/73/56/193357356.db2.gz FRQCNHYBZPSSAN-CABCVRRESA-N 1 0 318.527 2.157 10 0 DEAERO CC(C)[NH2+]CC1(CN(C)CCS(C)(=O)=O)CCC(C)CC1 ZINC000094300368 193358042 /nfs/dbraw/zinc/35/80/42/193358042.db2.gz XKKAZCMSIFRNPV-UHFFFAOYSA-N 1 0 318.527 2.157 10 0 DEAERO CN(C[C@H]1CCCOC1)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334311 193360075 /nfs/dbraw/zinc/36/00/75/193360075.db2.gz FWYKXFVRIGLAOR-SNVBAGLBSA-N 1 0 303.328 2.422 10 0 DEAERO C[C@@H](CNc1nc(C(F)(F)F)ccc1C(N)=S)[NH+](C)C ZINC000094336119 193361254 /nfs/dbraw/zinc/36/12/54/193361254.db2.gz SFVLYGJQKDTCQA-ZETCQYMHSA-N 1 0 306.357 2.097 10 0 DEAERO C[C@H]1CSCCN1c1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336763 193361387 /nfs/dbraw/zinc/36/13/87/193361387.db2.gz IBZFWNREHVSUBU-ZETCQYMHSA-N 1 0 304.341 2.326 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(OCCC(=O)N(C)C)c(F)c1 ZINC000094347188 193363391 /nfs/dbraw/zinc/36/33/91/193363391.db2.gz JYUSDJMBYCAIQC-UHFFFAOYSA-N 1 0 300.349 2.322 10 0 DEAERO CC[C@H](C)NC(=O)[C@@H](C)Oc1c(F)cc(C[NH2+]C)cc1F ZINC000094346449 193363629 /nfs/dbraw/zinc/36/36/29/193363629.db2.gz WLGKNTHAISUGCG-VHSXEESVSA-N 1 0 300.349 2.366 10 0 DEAERO COC(=O)C(C)(C)COc1c(F)cc(C[C@@H](C)[NH3+])cc1F ZINC000094350356 193363711 /nfs/dbraw/zinc/36/37/11/193363711.db2.gz QAWYLPBKAHPGMC-SECBINFHSA-N 1 0 301.333 2.433 10 0 DEAERO CC[NH2+]Cc1cc(F)c(OC[C@@H](O)COC(C)C)c(F)c1 ZINC000094346946 193363818 /nfs/dbraw/zinc/36/38/18/193363818.db2.gz ZRGVDPKLVMCYRI-LBPRGKRZSA-N 1 0 303.349 2.239 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(F)c(OCCCS(C)(=O)=O)c(F)c1 ZINC000094350630 193364654 /nfs/dbraw/zinc/36/46/54/193364654.db2.gz WMIUKLPMCGXFSK-NSHDSACASA-N 1 0 321.389 2.058 10 0 DEAERO Cc1cccc(S(=O)(=O)N(CC2CC[NH2+]CC2)C2CC2)c1 ZINC000094024234 193340252 /nfs/dbraw/zinc/34/02/52/193340252.db2.gz BXTJFUXRVNWDEH-UHFFFAOYSA-N 1 0 308.447 2.148 10 0 DEAERO CC(C)N(CC1CC[NH2+]CC1)c1ccccc1S(C)(=O)=O ZINC000094044213 193340793 /nfs/dbraw/zinc/34/07/93/193340793.db2.gz VGJRSDHTXLTLPE-UHFFFAOYSA-N 1 0 310.463 2.305 10 0 DEAERO CC[C@@H](C(N)=S)[NH+]1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094051955 193341369 /nfs/dbraw/zinc/34/13/69/193341369.db2.gz GHYFAMALTQXMCX-NSHDSACASA-N 1 0 316.833 2.061 10 0 DEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cc(C)c(Br)cn1 ZINC000094063553 193342441 /nfs/dbraw/zinc/34/24/41/193342441.db2.gz IPLIYCURBKNQKP-VIFPVBQESA-N 1 0 300.200 2.479 10 0 DEAERO [NH3+]CCCOC1CCN(c2nc(Br)cs2)CC1 ZINC000094073264 193343624 /nfs/dbraw/zinc/34/36/24/193343624.db2.gz LOSRHDUKNKAXHZ-UHFFFAOYSA-N 1 0 320.256 2.240 10 0 DEAERO CC[C@H]([NH3+])[C@](O)(Cc1nc2ccccc2n1C)C(F)(F)F ZINC000094167411 193347465 /nfs/dbraw/zinc/34/74/65/193347465.db2.gz XUJVLDWRQBICAF-WCQYABFASA-N 1 0 301.312 2.147 10 0 DEAERO CCC([NH3+])(CC)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000094243907 193354666 /nfs/dbraw/zinc/35/46/66/193354666.db2.gz XMJXYGWANUIPOA-UHFFFAOYSA-N 1 0 320.361 2.139 10 0 DEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634017 193385705 /nfs/dbraw/zinc/38/57/05/193385705.db2.gz TZBNREUQOGQXLQ-WCVJEAGWSA-N 1 0 316.511 2.195 10 0 DEAERO C[NH2+]Cc1cc(C)ccc1O[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094634525 193386178 /nfs/dbraw/zinc/38/61/78/193386178.db2.gz VGEDMOJIUOFAKA-LSDHHAIUSA-N 1 0 311.447 2.449 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@@H](N(CCC[NH3+])c2ccccc2)C1 ZINC000094634601 193386654 /nfs/dbraw/zinc/38/66/54/193386654.db2.gz RGUHEHCPODKRKO-CVEARBPZSA-N 1 0 310.463 2.198 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@@H](OCC2([NH3+])CCCCCC2)C1 ZINC000094638007 193386828 /nfs/dbraw/zinc/38/68/28/193386828.db2.gz YUPKPTHZXQNOGT-KGLIPLIRSA-N 1 0 303.468 2.411 10 0 DEAERO CC[NH2+][C@H](CCN(CC)CC)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642948 193388829 /nfs/dbraw/zinc/38/88/29/193388829.db2.gz NXBNSIOCQYFYBR-HRCADAONSA-N 1 0 318.527 2.300 10 0 DEAERO COc1cccc([C@](C)([NH3+])[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000094640185 193389056 /nfs/dbraw/zinc/38/90/56/193389056.db2.gz LHGYSVAUPHUFEB-BPUTZDHNSA-N 1 0 311.447 2.473 10 0 DEAERO CC(C)(C)[NH2+]Cc1ccn([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC000094644461 193389482 /nfs/dbraw/zinc/38/94/82/193389482.db2.gz XXFSVPSNEFSNSB-ZIAGYGMSSA-N 1 0 313.467 2.300 10 0 DEAERO Cc1nc(C[NH3+])sc1-c1nc([C@H]2CSCCS2)no1 ZINC000094495581 193373144 /nfs/dbraw/zinc/37/31/44/193373144.db2.gz JWQRDMXORNVKNY-SSDOTTSWSA-N 1 0 314.461 2.481 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])[C@@H]2CSCCS2)c1Cl ZINC000094497191 193374807 /nfs/dbraw/zinc/37/48/07/193374807.db2.gz LNJKAFURMWUTCT-KWQFWETISA-N 1 0 305.900 2.354 10 0 DEAERO CC[NH2+][C@H](Cc1nn(C)c2ccccc12)[C@@H]1CSCCO1 ZINC000094504042 193374952 /nfs/dbraw/zinc/37/49/52/193374952.db2.gz SRAHDRWIMDXVBG-ZBFHGGJFSA-N 1 0 305.447 2.226 10 0 DEAERO CC[C@@H](C[NH3+])S(=O)(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000094544500 193378195 /nfs/dbraw/zinc/37/81/95/193378195.db2.gz OKUFKHVFRHFLHX-KEPFICHZSA-N 1 0 314.495 2.392 10 0 DEAERO CNC(=O)c1cc(NC(=O)c2ccc(C[NH3+])o2)ccc1Cl ZINC000094567518 193380686 /nfs/dbraw/zinc/38/06/86/193380686.db2.gz HODRUAMTVIABRJ-UHFFFAOYSA-N 1 0 307.737 2.004 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094567694 193380870 /nfs/dbraw/zinc/38/08/70/193380870.db2.gz HDUMKXPSDYBEMZ-GXFFZTMASA-N 1 0 317.216 2.458 10 0 DEAERO Brc1ccccc1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC000094577241 193381278 /nfs/dbraw/zinc/38/12/78/193381278.db2.gz QZUYGDLWIVMLSH-UHFFFAOYSA-N 1 0 319.206 2.316 10 0 DEAERO C[NH+](C)C(C)(C)CNC(=O)c1cc(C(F)(F)F)ccc1N ZINC000094596013 193382230 /nfs/dbraw/zinc/38/22/30/193382230.db2.gz PSGOHXTVOVYDRR-UHFFFAOYSA-N 1 0 303.328 2.358 10 0 DEAERO CC[NH2+][C@H](c1cc(F)c(C)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000094707858 193392867 /nfs/dbraw/zinc/39/28/67/193392867.db2.gz ALOKMSGXEYTSFO-HZMBPMFUSA-N 1 0 303.374 2.359 10 0 DEAERO C[NH+]1CCC(CNc2nc3ccc(Br)cn3n2)CC1 ZINC000094604834 193383906 /nfs/dbraw/zinc/38/39/06/193383906.db2.gz CVMNZFZSSIPRPN-UHFFFAOYSA-N 1 0 324.226 2.246 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+]CCn2ccc3c2cccc3Cl)C1 ZINC000094613130 193384425 /nfs/dbraw/zinc/38/44/25/193384425.db2.gz CMZHZVPVFIPNDW-NSHDSACASA-N 1 0 312.822 2.071 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1nc2c(Br)cccn2n1 ZINC000094608812 193384819 /nfs/dbraw/zinc/38/48/19/193384819.db2.gz RPRMOTUWLIDBMQ-PSASIEDQSA-N 1 0 310.199 2.031 10 0 DEAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1nc2c(Br)cccn2n1 ZINC000094607544 193384848 /nfs/dbraw/zinc/38/48/48/193384848.db2.gz WITXXTOFPKSQKM-ZJUUUORDSA-N 1 0 310.199 2.174 10 0 DEAERO Cc1cc(C[NH3+])cc(C)c1O[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094634109 193385167 /nfs/dbraw/zinc/38/51/67/193385167.db2.gz PEUKGEOCCSVEOT-LSDHHAIUSA-N 1 0 311.447 2.497 10 0 DEAERO C[NH2+][C@@H](Cc1nc(C)cs1)C1(N2CCOCC2)CCCC1 ZINC000094974351 193409561 /nfs/dbraw/zinc/40/95/61/193409561.db2.gz MNCNSHCVUZSHKJ-AWEZNQCLSA-N 1 0 309.479 2.227 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(Br)cc2F)C1 ZINC000094716203 193394183 /nfs/dbraw/zinc/39/41/83/193394183.db2.gz BSSMXGQKGMZNRP-QMMMGPOBSA-N 1 0 319.149 2.161 10 0 DEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)[C@@]1(C)CCCO1 ZINC000094783535 193397744 /nfs/dbraw/zinc/39/77/44/193397744.db2.gz ZOUQLTQJVYPAHJ-DGCLKSJQSA-N 1 0 316.243 2.191 10 0 DEAERO CC1(C)CC[N@H+](CCC(=O)Nc2ccccc2C(N)=S)C1 ZINC000094803244 193398979 /nfs/dbraw/zinc/39/89/79/193398979.db2.gz HZXFZBAIPNSMQF-UHFFFAOYSA-N 1 0 305.447 2.381 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)C1 ZINC000094801017 193399418 /nfs/dbraw/zinc/39/94/18/193399418.db2.gz FYLBPZUNXBRAFA-UHFFFAOYSA-N 1 0 310.463 2.487 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1C(N)=S)[N@@H+]1CCC(C)(C)C1 ZINC000094803277 193399653 /nfs/dbraw/zinc/39/96/53/193399653.db2.gz KXVGEBPSFBGRQA-LLVKDONJSA-N 1 0 305.447 2.380 10 0 DEAERO CCN1C[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1=O ZINC000453356501 245089319 /nfs/dbraw/zinc/08/93/19/245089319.db2.gz LSKHBCLLHNYORB-OIISXLGYSA-N 1 0 302.418 2.365 10 0 DEAERO O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000265964234 205002755 /nfs/dbraw/zinc/00/27/55/205002755.db2.gz UOGRYBVOULNGAX-HNNXBMFYSA-N 1 0 311.389 2.389 10 0 DEAERO CCn1ncc(Br)c1[C@@H](C[C@@H]1CCOC1)[NH2+]C ZINC000162046163 197538427 /nfs/dbraw/zinc/53/84/27/197538427.db2.gz XXLQZEYBTRNZRI-GXSJLCMTSA-N 1 0 302.216 2.353 10 0 DEAERO [NH3+]CCS[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000016900017 182063206 /nfs/dbraw/zinc/06/32/06/182063206.db2.gz QCOAGGRMLPDHPJ-SECBINFHSA-N 1 0 319.213 2.317 10 0 DEAERO COc1ccccc1N1CCN([C@@H](C[NH3+])c2ccco2)CC1 ZINC000019795789 182150811 /nfs/dbraw/zinc/15/08/11/182150811.db2.gz QOPSQUZULYZSTN-HNNXBMFYSA-N 1 0 301.390 2.110 10 0 DEAERO C[C@@H]([NH2+]CCN1CCOCC1)c1cccc(Br)c1 ZINC000019954153 182169277 /nfs/dbraw/zinc/16/92/77/182169277.db2.gz POIZVIGMWCSNNF-GFCCVEGCSA-N 1 0 313.239 2.432 10 0 DEAERO CCCn1ncc(Br)c1[C@H]([NH2+]C)[C@H]1CCCO1 ZINC000160283613 197397810 /nfs/dbraw/zinc/39/78/10/197397810.db2.gz PDIIBIDSODRPQH-GHMZBOCLSA-N 1 0 302.216 2.495 10 0 DEAERO Fc1ccc(Br)cc1C[NH2+]C[C@H]1CCOCO1 ZINC000160125295 197388103 /nfs/dbraw/zinc/38/81/03/197388103.db2.gz RHYZIDHQZHXPTG-LLVKDONJSA-N 1 0 304.159 2.441 10 0 DEAERO C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000021008630 182259434 /nfs/dbraw/zinc/25/94/34/182259434.db2.gz YFYHGBZBCSJNHA-GFCCVEGCSA-N 1 0 302.399 2.285 10 0 DEAERO Cc1cc(C[C@@H](C)NC(=O)NCCCCC[NH+]2CCCC2)[nH]n1 ZINC000454692751 246069876 /nfs/dbraw/zinc/06/98/76/246069876.db2.gz SIZLSZKKARCTGM-CQSZACIVSA-N 1 0 321.469 2.214 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@H]2C[C@@H](OC)C2(C)C)CC1 ZINC000530757754 284461974 /nfs/dbraw/zinc/46/19/74/284461974.db2.gz DUVJMIOULVWHAK-LSDHHAIUSA-N 1 0 311.470 2.221 10 0 DEAERO C[NH+](C)C1(CNC(=O)c2nnc(Cl)s2)CCCCC1 ZINC000159851400 197368818 /nfs/dbraw/zinc/36/88/18/197368818.db2.gz KXNFAQWVPAXALD-UHFFFAOYSA-N 1 0 302.831 2.186 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C[C@H]2CCOC2)C2CC2)CC1 ZINC000157734723 291633523 /nfs/dbraw/zinc/63/35/23/291633523.db2.gz PPAQZBGZKBFMPJ-MRXNPFEDSA-N 1 0 323.481 2.319 10 0 DEAERO [NH3+]CCC(=O)Nc1ccc(Br)cc1Br ZINC000037016048 182861205 /nfs/dbraw/zinc/86/12/05/182861205.db2.gz DIVRFVMPVZDKLZ-UHFFFAOYSA-N 1 0 322.000 2.499 10 0 DEAERO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000458398848 248290434 /nfs/dbraw/zinc/29/04/34/248290434.db2.gz SPKWDPFJACBYPA-CYBMUJFWSA-N 1 0 312.454 2.155 10 0 DEAERO COC[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000488675301 248805056 /nfs/dbraw/zinc/80/50/56/248805056.db2.gz NAALXHRVNWKMTN-AWEZNQCLSA-N 1 0 319.854 2.442 10 0 DEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2F)C1 ZINC000040452311 183068197 /nfs/dbraw/zinc/06/81/97/183068197.db2.gz MUBAHVCCASKORA-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)N(Cc2cccc(Cl)c2)C(C)C)C1 ZINC000040635388 183112681 /nfs/dbraw/zinc/11/26/81/183112681.db2.gz ZAWDODFUHPMLHP-CABCVRRESA-N 1 0 310.825 2.454 10 0 DEAERO CCOc1cc(C[NH2+]C(C)(C)C(N)=O)ccc1OC(F)F ZINC000040673910 183116161 /nfs/dbraw/zinc/11/61/61/183116161.db2.gz MUALSLJLLWYEAO-UHFFFAOYSA-N 1 0 302.321 2.040 10 0 DEAERO CC(C)C[C@H](CO)[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000040777836 183132459 /nfs/dbraw/zinc/13/24/59/183132459.db2.gz GPLCAGHBZVFQAJ-CVEARBPZSA-N 1 0 315.841 2.214 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000040851617 183142103 /nfs/dbraw/zinc/14/21/03/183142103.db2.gz ZJZLBRFIBSAJFU-LLVKDONJSA-N 1 0 310.419 2.480 10 0 DEAERO CN(C)Nc1[nH+]cnc(Nc2nc3ccccc3s2)c1N ZINC000040759916 183130330 /nfs/dbraw/zinc/13/03/30/183130330.db2.gz CLFZVODLHQOBKF-UHFFFAOYSA-N 1 0 301.379 2.301 10 0 DEAERO C[NH+](C)CCNC(=O)c1nn(-c2ccccc2)c2c1CCCC2 ZINC000041460805 183192611 /nfs/dbraw/zinc/19/26/11/183192611.db2.gz ZHJWGKMWHNGPQG-UHFFFAOYSA-N 1 0 312.417 2.043 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc(C)c1C ZINC000041604069 183209392 /nfs/dbraw/zinc/20/93/92/183209392.db2.gz WSNYYLJHRNFIMN-CYBMUJFWSA-N 1 0 305.422 2.088 10 0 DEAERO CCc1ccccc1NC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000041605158 183209589 /nfs/dbraw/zinc/20/95/89/183209589.db2.gz RZZNBJYHWMIDON-CYBMUJFWSA-N 1 0 305.422 2.034 10 0 DEAERO CCNS(=O)(=O)c1ccccc1N[C@H](C)C[NH+](CC)CC ZINC000041677087 183215305 /nfs/dbraw/zinc/21/53/05/183215305.db2.gz JSYWPKOOCSAFFA-CYBMUJFWSA-N 1 0 313.467 2.127 10 0 DEAERO [NH3+]C1CC(NC(=O)c2cc3cccc(Br)c3o2)C1 ZINC000042411310 183265485 /nfs/dbraw/zinc/26/54/85/183265485.db2.gz ZUOVJUVRYOHENI-UHFFFAOYSA-N 1 0 309.163 2.415 10 0 DEAERO OCc1cccc(Br)c1OCC[NH+]1CCCC1 ZINC000042412391 183265832 /nfs/dbraw/zinc/26/58/32/183265832.db2.gz MVJSGACUWQSTGV-UHFFFAOYSA-N 1 0 300.196 2.416 10 0 DEAERO [NH3+]CCc1cccc(Br)c1OCCn1ccnc1 ZINC000042412651 183266050 /nfs/dbraw/zinc/26/60/50/183266050.db2.gz DAHNNVRDSDUIGM-UHFFFAOYSA-N 1 0 310.195 2.226 10 0 DEAERO COCCCN(CCOC)[C@H](C[NH3+])c1ccccc1Cl ZINC000042420997 183267471 /nfs/dbraw/zinc/26/74/71/183267471.db2.gz LDIRDCRZGIOHFZ-OAHLLOKOSA-N 1 0 300.830 2.325 10 0 DEAERO CC(C)[NH2+]C[C@@H](O)CN(C)Cc1ccccc1Br ZINC000042441067 183270235 /nfs/dbraw/zinc/27/02/35/183270235.db2.gz DWRFUJWYLPXFRI-CYBMUJFWSA-N 1 0 315.255 2.240 10 0 DEAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000042477285 183274411 /nfs/dbraw/zinc/27/44/11/183274411.db2.gz LCULFXFCMUBNFQ-OCZCAGDBSA-N 1 0 310.463 2.291 10 0 DEAERO Cc1cc(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)c2ccccc2n1 ZINC000042341383 183255795 /nfs/dbraw/zinc/25/57/95/183255795.db2.gz TYLXXVFJQYHLMV-GFCCVEGCSA-N 1 0 305.403 2.037 10 0 DEAERO O=S1CCC([NH2+][C@@H]2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000042353502 183257618 /nfs/dbraw/zinc/25/76/18/183257618.db2.gz LSFFZXCBLGOJHR-ZFEYDVAMSA-N 1 0 313.385 2.377 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000042610557 183291016 /nfs/dbraw/zinc/29/10/16/183291016.db2.gz JCRWQXSURMWQHR-ILXRZTDVSA-N 1 0 302.484 2.359 10 0 DEAERO [NH3+]Cc1ccc(CS(=O)(=O)N(CC(F)(F)F)C2CC2)cc1 ZINC000042768545 183306639 /nfs/dbraw/zinc/30/66/39/183306639.db2.gz OSCAKAIAQODDRP-UHFFFAOYSA-N 1 0 322.352 2.002 10 0 DEAERO CCN(CCC(=O)Nc1ccc(C[NH3+])cc1)CC(F)(F)F ZINC000042739569 183303303 /nfs/dbraw/zinc/30/33/03/183303303.db2.gz OXCCFAQNYGDVHA-UHFFFAOYSA-N 1 0 303.328 2.358 10 0 DEAERO CCCN(CC(=O)Nc1ccc(C[NH3+])cc1)CC(F)(F)F ZINC000042741030 183303324 /nfs/dbraw/zinc/30/33/24/183303324.db2.gz UHZGSXHVSFVVSN-UHFFFAOYSA-N 1 0 303.328 2.358 10 0 DEAERO CNC(=O)C1CCN([C@H](c2ccc(Cl)cc2)[C@@H](C)[NH3+])CC1 ZINC000042945277 183319524 /nfs/dbraw/zinc/31/95/24/183319524.db2.gz CKWNAKBJRRSIEG-ABAIWWIYSA-N 1 0 309.841 2.186 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1ccc(Cl)cc1 ZINC000042951455 183320786 /nfs/dbraw/zinc/32/07/86/183320786.db2.gz KGSOKZBDVHMCCP-JMCQJSRRSA-N 1 0 309.826 2.475 10 0 DEAERO COCCN(C)[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042954363 183321789 /nfs/dbraw/zinc/32/17/89/183321789.db2.gz YKLXJYZCEPAQLP-GWCFXTLKSA-N 1 0 301.228 2.416 10 0 DEAERO COC(=O)CS[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043025005 183331490 /nfs/dbraw/zinc/33/14/90/183331490.db2.gz MPPFHOCYTBTSLJ-SNVBAGLBSA-N 1 0 304.209 2.355 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CC(=O)NC1CC1 ZINC000043051476 183332653 /nfs/dbraw/zinc/33/26/53/183332653.db2.gz JWHIXGHNOKABNN-GOEBONIOSA-N 1 0 309.841 2.329 10 0 DEAERO CCCN(CC(F)(F)F)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000042768570 183307005 /nfs/dbraw/zinc/30/70/05/183307005.db2.gz OMIFEMJUJQRQRT-UHFFFAOYSA-N 1 0 310.341 2.108 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N1CCCC[C@@H]1C(=O)NC ZINC000043242690 183346532 /nfs/dbraw/zinc/34/65/32/183346532.db2.gz GJTYHUXKLARJDE-UMVBOHGHSA-N 1 0 309.479 2.435 10 0 DEAERO CC(=O)N1CCCN([C@@H](c2ccc(Cl)s2)[C@@H](C)[NH3+])CC1 ZINC000043254141 183347767 /nfs/dbraw/zinc/34/77/67/183347767.db2.gz IXPAGFMYBAZTHB-QMTHXVAHSA-N 1 0 315.870 2.344 10 0 DEAERO Nc1cc(N)nc(S[C@H](C[NH3+])c2ccc(Cl)s2)n1 ZINC000043258274 183347944 /nfs/dbraw/zinc/34/79/44/183347944.db2.gz JJKDDBWNKZOZFT-ZCFIWIBFSA-N 1 0 301.828 2.148 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCC[C@@H]1C(=O)NC ZINC000043253667 183348395 /nfs/dbraw/zinc/34/83/95/183348395.db2.gz UDTGBUHUTMPTKL-CWSCBRNRSA-N 1 0 315.870 2.390 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)n1cncn1 ZINC000043287838 183351689 /nfs/dbraw/zinc/35/16/89/183351689.db2.gz MZJOYSWIRIBHMQ-SCZZXKLOSA-N 1 0 301.213 2.429 10 0 DEAERO Cc1ccc([C@@H](Oc2ccc(S(C)(=O)=O)cc2)[C@H](C)[NH3+])o1 ZINC000043366992 183357152 /nfs/dbraw/zinc/35/71/52/183357152.db2.gz UJBJXWSZZTXMIH-NHYWBVRUSA-N 1 0 309.387 2.459 10 0 DEAERO C[C@H]([NH3+])[C@@H](N1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000043376590 183357159 /nfs/dbraw/zinc/35/71/59/183357159.db2.gz FRLOJWOZFIMWLG-GXTWGEPZSA-N 1 0 301.356 2.082 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N1CCC[C@@H]1CO ZINC000043092531 183336192 /nfs/dbraw/zinc/33/61/92/183336192.db2.gz UONQVLVJYBOGAZ-MISXGVKJSA-N 1 0 313.239 2.294 10 0 DEAERO CCC[NH2+]Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000043479409 183366099 /nfs/dbraw/zinc/36/60/99/183366099.db2.gz HQVXEPDINLOMBD-GFCCVEGCSA-N 1 0 317.838 2.406 10 0 DEAERO CCCNS(=O)(=O)c1ccccc1NCC(C)(C)[NH+](C)C ZINC000043411843 183361022 /nfs/dbraw/zinc/36/10/22/183361022.db2.gz MCKVJIHTWSVLEG-UHFFFAOYSA-N 1 0 313.467 2.127 10 0 DEAERO C[NH2+][C@@H](CN(C)CC(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000043900761 183388953 /nfs/dbraw/zinc/38/89/53/183388953.db2.gz RRPWVQLJHDZHAC-NSHDSACASA-N 1 0 306.328 2.458 10 0 DEAERO CCCCOCCO[C@H]1CC2(CC[C@H]1[NH2+]CC)OCCO2 ZINC000044070644 183393189 /nfs/dbraw/zinc/39/31/89/183393189.db2.gz APVYWAMVMFWLSZ-CABCVRRESA-N 1 0 301.427 2.093 10 0 DEAERO O=S(=O)(c1ccc(NC[C@@H]2CCC[NH2+]C2)cc1)C(F)F ZINC000044503308 183415880 /nfs/dbraw/zinc/41/58/80/183415880.db2.gz PYFOTCSAORJPCI-SNVBAGLBSA-N 1 0 304.362 2.094 10 0 DEAERO [NH3+][C@@H]1CCC2(C[C@H]1n1ccnc1-c1cccs1)OCCO2 ZINC000045048273 183477355 /nfs/dbraw/zinc/47/73/55/183477355.db2.gz RVKXYJZXIGJZDV-VXGBXAGGSA-N 1 0 305.403 2.407 10 0 DEAERO CCc1cc(N2CC[C@@](O)(c3cn[nH]n3)C2)c2ccccc2[nH+]1 ZINC000284417492 218019671 /nfs/dbraw/zinc/01/96/71/218019671.db2.gz CNOLKXMSKQRDRV-KRWDZBQOSA-N 1 0 309.373 2.013 10 0 DEAERO CCCCOCCOCCCC[C@](C)([NH2+]CCC)C(N)=O ZINC000045473590 183511114 /nfs/dbraw/zinc/51/11/14/183511114.db2.gz VZOQDXWWWQGIJN-INIZCTEOSA-N 1 0 302.459 2.234 10 0 DEAERO O=C1C[C@H]([NH2+]CCc2ccsc2)C(=O)N1C1CCCCC1 ZINC000105034499 194065365 /nfs/dbraw/zinc/06/53/65/194065365.db2.gz OQGOJIHERVWBSE-AWEZNQCLSA-N 1 0 306.431 2.340 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2cccc(C)c2C)c1 ZINC000105881610 194156174 /nfs/dbraw/zinc/15/61/74/194156174.db2.gz ZTCYTUQIDQFTKP-OAHLLOKOSA-N 1 0 300.406 2.425 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000105897513 194162335 /nfs/dbraw/zinc/16/23/35/194162335.db2.gz BHUNLIQZQINFGQ-MRXNPFEDSA-N 1 0 312.417 2.382 10 0 DEAERO COCCCCC[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105911664 194169695 /nfs/dbraw/zinc/16/96/95/194169695.db2.gz RQPXFZBQBNIINB-SFHVURJKSA-N 1 0 306.450 2.154 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2nc3ccccc3n2C(F)F)CCO1 ZINC000105925797 194171325 /nfs/dbraw/zinc/17/13/25/194171325.db2.gz IBYWGXLSJXFJHL-GFCCVEGCSA-N 1 0 324.375 2.194 10 0 DEAERO C[C@@H](c1nnc(-c2ccccc2)o1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926816 194171986 /nfs/dbraw/zinc/17/19/86/194171986.db2.gz BXTDLSHCCGDIOU-DZGCQCFKSA-N 1 0 316.405 2.060 10 0 DEAERO Cc1csc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000106429477 194212622 /nfs/dbraw/zinc/21/26/22/194212622.db2.gz LUGHPJNEGFTVQM-CQSZACIVSA-N 1 0 303.431 2.241 10 0 DEAERO CC[NH+](CC)CC1CCN([C@@H](C(=O)OC)c2cccnc2)CC1 ZINC000533460411 284784986 /nfs/dbraw/zinc/78/49/86/284784986.db2.gz UJHRSRYCBXZGKO-QGZVFWFLSA-N 1 0 319.449 2.350 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000049643954 183751132 /nfs/dbraw/zinc/75/11/32/183751132.db2.gz DNJATOQBIGCBOE-CABCVRRESA-N 1 0 302.484 2.359 10 0 DEAERO CN(c1ccc(F)cc1)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000049965995 183766070 /nfs/dbraw/zinc/76/60/70/183766070.db2.gz MBWPDXWQNRWRNL-ZDUSSCGKSA-N 1 0 300.399 2.124 10 0 DEAERO CN(C1(C[NH3+])CCCCC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000050092714 183772436 /nfs/dbraw/zinc/77/24/36/183772436.db2.gz LRSKULFSMBQEEX-UHFFFAOYSA-N 1 0 318.389 2.247 10 0 DEAERO O=C1[C@@H]([NH+]2CCC(Cn3cccn3)CC2)CCN1c1ccccc1 ZINC000109329326 194258393 /nfs/dbraw/zinc/25/83/93/194258393.db2.gz CCBCFLRKFFDOJZ-SFHVURJKSA-N 1 0 324.428 2.401 10 0 DEAERO CCC[NH2+][C@@H](C)c1nnc(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000050619429 183791053 /nfs/dbraw/zinc/79/10/53/183791053.db2.gz DFKLECVDNVZIJQ-JTQLQIEISA-N 1 0 309.391 2.201 10 0 DEAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)CC2CCCC2)CC1 ZINC000109463133 194265382 /nfs/dbraw/zinc/26/53/82/194265382.db2.gz XAICCQYXYSFNCF-CQSZACIVSA-N 1 0 311.495 2.166 10 0 DEAERO CS(=O)(=O)c1ccc(NCc2ccc(C[NH3+])cc2F)cc1 ZINC000109540791 194271962 /nfs/dbraw/zinc/27/19/62/194271962.db2.gz YRIKQPMDGVEUMF-UHFFFAOYSA-N 1 0 308.378 2.300 10 0 DEAERO CC[C@@H]1CN(CCC(=O)c2ccc(C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000159341524 197346643 /nfs/dbraw/zinc/34/66/43/197346643.db2.gz RRCNSSNTHYQNEG-SJLPKXTDSA-N 1 0 318.461 2.345 10 0 DEAERO CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)c1 ZINC000110090843 194308566 /nfs/dbraw/zinc/30/85/66/194308566.db2.gz QKDZYKITBJCEEI-HNNXBMFYSA-N 1 0 321.421 2.318 10 0 DEAERO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000534530110 284849012 /nfs/dbraw/zinc/84/90/12/284849012.db2.gz MQBOXZYXJPUMBL-UONOGXRCSA-N 1 0 301.415 2.205 10 0 DEAERO CC1CCC([NH2+]CCN2CCN(c3nccs3)CC2)CC1 ZINC000053345407 183899563 /nfs/dbraw/zinc/89/95/63/183899563.db2.gz QLUWSFVBODFXSV-UHFFFAOYSA-N 1 0 308.495 2.433 10 0 DEAERO COCCCN(CCOC)[C@H](C)C[NH2+]Cc1cccs1 ZINC000053496577 183904421 /nfs/dbraw/zinc/90/44/21/183904421.db2.gz NINBDJBGRDPACB-CQSZACIVSA-N 1 0 300.468 2.211 10 0 DEAERO C[C@@H]1CN(c2nc(-c3ccccc3)c(CO)s2)CC[N@@H+]1C ZINC000110760460 194356661 /nfs/dbraw/zinc/35/66/61/194356661.db2.gz HCLURYRWWCAZAR-GFCCVEGCSA-N 1 0 303.431 2.443 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c(C)s1 ZINC000110648140 194345773 /nfs/dbraw/zinc/34/57/73/194345773.db2.gz WLGKJGXCOHQDHE-JTQLQIEISA-N 1 0 302.465 2.113 10 0 DEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc(Br)s2)CCN1C ZINC000110701647 194351761 /nfs/dbraw/zinc/35/17/61/194351761.db2.gz JRTSUUZIIHYTHF-UWVGGRQHSA-N 1 0 318.284 2.146 10 0 DEAERO COCC[NH2+]C[C@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000110779857 194358126 /nfs/dbraw/zinc/35/81/26/194358126.db2.gz YSAYXZLZSFGIFB-GFCCVEGCSA-N 1 0 306.435 2.205 10 0 DEAERO CN(C(=O)c1ccc(Br)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000110927449 194369714 /nfs/dbraw/zinc/36/97/14/194369714.db2.gz ZACONMVOHRJFCB-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO O=C(NCC[C@@H]1CC[NH2+]C1)c1c(F)c(F)c(F)c(F)c1F ZINC000110794095 194359319 /nfs/dbraw/zinc/35/93/19/194359319.db2.gz ZYTBLRJRPNETBI-LURJTMIESA-N 1 0 308.250 2.112 10 0 DEAERO COCCCN(C)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1Cl ZINC000110829639 194362177 /nfs/dbraw/zinc/36/21/77/194362177.db2.gz AWLPSYDTQUBBKU-LBPRGKRZSA-N 1 0 316.829 2.325 10 0 DEAERO O[C@@H](C[NH2+]Cc1nnc2ccccn21)Cc1cccc(Cl)c1 ZINC000554395388 291761263 /nfs/dbraw/zinc/76/12/63/291761263.db2.gz FNGZXRKEJDRKMU-CQSZACIVSA-N 1 0 316.792 2.076 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1OCCOCCC)OCCO2 ZINC000111107638 194391200 /nfs/dbraw/zinc/39/12/00/194391200.db2.gz KKJGDMWADIHTRB-GJZGRUSLSA-N 1 0 301.427 2.093 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](c3ccccc3)C2)C1 ZINC000057869760 184059948 /nfs/dbraw/zinc/05/99/48/184059948.db2.gz SXDRHRNSAINFNJ-IRXDYDNUSA-N 1 0 317.433 2.254 10 0 DEAERO O=C1C[C@@H]([NH2+]CCc2ccccc2)C(=O)N1c1ccccc1F ZINC000059489408 184138857 /nfs/dbraw/zinc/13/88/57/184138857.db2.gz LQOLDDDBXLFJLJ-OAHLLOKOSA-N 1 0 312.344 2.290 10 0 DEAERO CC[NH2+][C@H]1CCCC[C@@H]1CN1CCN(c2nccs2)CC1 ZINC000060743417 184155460 /nfs/dbraw/zinc/15/54/60/184155460.db2.gz XXANTIFXPYCVTI-CABCVRRESA-N 1 0 308.495 2.433 10 0 DEAERO c1csc(-c2noc(CN3CCC[N@@H+](C4CC4)CC3)n2)c1 ZINC000061041222 184161064 /nfs/dbraw/zinc/16/10/64/184161064.db2.gz ZOJSJAGMJAHHQQ-UHFFFAOYSA-N 1 0 304.419 2.468 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)Nc1cc(F)c(F)c(F)c1 ZINC000061120958 184162547 /nfs/dbraw/zinc/16/25/47/184162547.db2.gz WBHYCEGQRKGPBQ-UHFFFAOYSA-N 1 0 310.341 2.234 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000061270165 184167273 /nfs/dbraw/zinc/16/72/73/184167273.db2.gz BHEVNYBAVXCJPM-UTUOFQBUSA-N 1 0 310.360 2.381 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1nnc2ccccn21)c1cnn(C)c1 ZINC000061405855 184170145 /nfs/dbraw/zinc/17/01/45/184170145.db2.gz GYJPLBHEGYLNDQ-AAEUAGOBSA-N 1 0 302.407 2.034 10 0 DEAERO CCN(CC)c1nc(Cl)nc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000061540815 184173515 /nfs/dbraw/zinc/17/35/15/184173515.db2.gz YAVUFWXKQYSFBJ-NSHDSACASA-N 1 0 312.849 2.125 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1ccc(F)cc1 ZINC000061594189 184176044 /nfs/dbraw/zinc/17/60/44/184176044.db2.gz WVNDWYHDWZVPEV-VXGBXAGGSA-N 1 0 310.398 2.301 10 0 DEAERO CCNc1ccc(Cl)c(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)n1 ZINC000061638298 184179850 /nfs/dbraw/zinc/17/98/50/184179850.db2.gz XEPFMIRTGXGTOK-QWRGUYRKSA-N 1 0 310.829 2.253 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(Cl)c(O[C@H](CC)C(N)=O)c(OC)c1 ZINC000061678334 184181837 /nfs/dbraw/zinc/18/18/37/184181837.db2.gz VREDBRXRNBLUCB-ZYHUDNBSSA-N 1 0 314.813 2.271 10 0 DEAERO COc1ccc([C@H]([NH3+])C[C@H](C)CC(N)=O)cc1Br ZINC000061830197 184188908 /nfs/dbraw/zinc/18/89/08/184188908.db2.gz FWXCOTCYYNWETF-GZMMTYOYSA-N 1 0 315.211 2.359 10 0 DEAERO COc1ccc([C@@H]([NH3+])C[C@H](C)CC(N)=O)c(Br)c1 ZINC000061830571 184188915 /nfs/dbraw/zinc/18/89/15/184188915.db2.gz WIRPJVFZZCHNRY-UFBFGSQYSA-N 1 0 315.211 2.359 10 0 DEAERO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)c(N)c2)CCCO1 ZINC000061912866 184195393 /nfs/dbraw/zinc/19/53/93/184195393.db2.gz YXYCVLXXSDXXBC-LLVKDONJSA-N 1 0 311.813 2.362 10 0 DEAERO C[NH2+][C@H](CN1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000061941082 184197536 /nfs/dbraw/zinc/19/75/36/184197536.db2.gz SEGBWDXIXMPBBH-CQSZACIVSA-N 1 0 301.356 2.127 10 0 DEAERO C[N@H+](CCNc1c(C(N)=S)cnc2ccccc21)C1CC1 ZINC000062010439 184201146 /nfs/dbraw/zinc/20/11/46/184201146.db2.gz XCFISDFPLOJTCY-UHFFFAOYSA-N 1 0 300.431 2.375 10 0 DEAERO COCCCN(C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000062029371 184202222 /nfs/dbraw/zinc/20/22/22/184202222.db2.gz RMCJQXWVUZLWPG-CYBMUJFWSA-N 1 0 301.228 2.417 10 0 DEAERO CN(Cc1nccn1C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000062247623 184225369 /nfs/dbraw/zinc/22/53/69/184225369.db2.gz HTGIZIBTYJEAIM-CYBMUJFWSA-N 1 0 323.238 2.314 10 0 DEAERO O=S(=O)(NOCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000062578217 184244161 /nfs/dbraw/zinc/24/41/61/184244161.db2.gz DQKCDSIDWAWKKN-UHFFFAOYSA-N 1 0 318.826 2.036 10 0 DEAERO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)C2 ZINC000062350735 184231608 /nfs/dbraw/zinc/23/16/08/184231608.db2.gz WVXDGMWMLBDHMV-JGGQBBKZSA-N 1 0 314.495 2.215 10 0 DEAERO CCC1(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC[NH2+]CC1 ZINC000062848646 184256694 /nfs/dbraw/zinc/25/66/94/184256694.db2.gz NKVCZZLHOQOFFP-UHFFFAOYSA-N 1 0 309.797 2.157 10 0 DEAERO CC[C@@]1(C(=O)Nc2sc(C)c(C)c2C(=O)OC)CC[NH2+]C1 ZINC000062900443 184258860 /nfs/dbraw/zinc/25/88/60/184258860.db2.gz RTSOQUUJAHWIDV-OAHLLOKOSA-N 1 0 310.419 2.480 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCCc3ccccc3C2)s1 ZINC000062946213 184261681 /nfs/dbraw/zinc/26/16/81/184261681.db2.gz NLBFXKNKEFUOET-UHFFFAOYSA-N 1 0 322.455 2.344 10 0 DEAERO CC[NH2+]Cc1ccc(O[C@@H](CC)C(N)=O)c(Br)c1 ZINC000062701137 184247694 /nfs/dbraw/zinc/24/76/94/184247694.db2.gz FVGMEHWTMXWICH-NSHDSACASA-N 1 0 315.211 2.201 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1ccc(Br)o1 ZINC000063211816 184278351 /nfs/dbraw/zinc/27/83/51/184278351.db2.gz YQOMYVMGCGDCBR-RKDXNWHRSA-N 1 0 301.184 2.432 10 0 DEAERO C[C@H]1[NH2+]CCCN(Cc2cc(Br)cs2)C1=O ZINC000063215309 184279045 /nfs/dbraw/zinc/27/90/45/184279045.db2.gz SWDZQLUIRUBMMN-MRVPVSSYSA-N 1 0 303.225 2.221 10 0 DEAERO Nc1ncc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000062984978 184264738 /nfs/dbraw/zinc/26/47/38/184264738.db2.gz PZDGKBXBHIAFDI-LBPRGKRZSA-N 1 0 308.813 2.018 10 0 DEAERO Brc1ccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)nc1 ZINC000063084777 184269542 /nfs/dbraw/zinc/26/95/42/184269542.db2.gz BMTJTCIWRLTQLL-SECBINFHSA-N 1 0 323.194 2.436 10 0 DEAERO CS(=O)(=O)c1ccc(SCc2ccc(NN)[nH+]c2)cc1 ZINC000063131984 184272193 /nfs/dbraw/zinc/27/21/93/184272193.db2.gz FTNGJVIHLJBWIO-UHFFFAOYSA-N 1 0 309.416 2.063 10 0 DEAERO CC[NH2+][C@@H](C)c1cccc(NS(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000063155735 184274612 /nfs/dbraw/zinc/27/46/12/184274612.db2.gz MAGVGVCDXKTYGX-WFASDCNBSA-N 1 0 312.435 2.278 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1F ZINC000063168888 184275549 /nfs/dbraw/zinc/27/55/49/184275549.db2.gz OYFBRGXKENASKV-LBPRGKRZSA-N 1 0 313.804 2.492 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH2+]C)s1 ZINC000063168328 184275658 /nfs/dbraw/zinc/27/56/58/184275658.db2.gz HTPAGAVTZPMALC-LLVKDONJSA-N 1 0 302.465 2.073 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000063177850 184276464 /nfs/dbraw/zinc/27/64/64/184276464.db2.gz NGXABEVPFKFMHK-MNOVXSKESA-N 1 0 308.325 2.272 10 0 DEAERO C[C@@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCO1 ZINC000065456646 184347145 /nfs/dbraw/zinc/34/71/45/184347145.db2.gz WLUMEXBQPPPWBS-NVXWUHKLSA-N 1 0 323.481 2.461 10 0 DEAERO C[C@@H](CCO)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119161437 207355773 /nfs/dbraw/zinc/35/57/73/207355773.db2.gz MEZQKHPSTXCROM-YJBOKZPZSA-N 1 0 319.449 2.111 10 0 DEAERO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(CC[NH3+])s2)C[C@@H]1C ZINC000068586268 184493209 /nfs/dbraw/zinc/49/32/09/184493209.db2.gz VLPNIEKEYHNEOJ-GRYCIOLGSA-N 1 0 316.492 2.352 10 0 DEAERO CCC[NH2+][C@](C)(C[C@H](C)N(CCC)CC(F)(F)F)C(N)=O ZINC000068630121 184494225 /nfs/dbraw/zinc/49/42/25/184494225.db2.gz WBTUGRANLOMQBP-WCQYABFASA-N 1 0 311.392 2.283 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)N1CCc2sccc2[C@H]1C1CC1 ZINC000159304760 197344152 /nfs/dbraw/zinc/34/41/52/197344152.db2.gz PQVPJUIFZQQFKN-DZGCQCFKSA-N 1 0 308.447 2.338 10 0 DEAERO Cc1ccccc1C1(C(=O)N(C)CCC[NH+](C)C)CCOCC1 ZINC000537213564 284987188 /nfs/dbraw/zinc/98/71/88/284987188.db2.gz FPECMLLMBDDBIW-UHFFFAOYSA-N 1 0 318.461 2.453 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1(C)CCC(C)CC1 ZINC000111856385 285023805 /nfs/dbraw/zinc/02/38/05/285023805.db2.gz JKUOGCIHDPGNOK-ISXOHVOVSA-N 1 0 311.470 2.365 10 0 DEAERO CCc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)cc1 ZINC000119672910 195014453 /nfs/dbraw/zinc/01/44/53/195014453.db2.gz RACQJEMCEBMHAU-NWDGAFQWSA-N 1 0 303.406 2.276 10 0 DEAERO CC1(CNC(=O)NCCNc2cc[nH+]cc2)Cc2ccccc2C1 ZINC000538808339 285056805 /nfs/dbraw/zinc/05/68/05/285056805.db2.gz NEHQWUDIFPNZDI-UHFFFAOYSA-N 1 0 324.428 2.020 10 0 DEAERO c1ccc2[nH]c(CN3CCCN(c4cccnn4)CC3)nc2c1 ZINC000120133844 195102906 /nfs/dbraw/zinc/10/29/06/195102906.db2.gz CXQREXXJXDCKGG-UHFFFAOYSA-N 1 0 308.389 2.065 10 0 DEAERO Cc1cc(C(=O)N(C)CCC[NH+](C)C)nn1-c1ccc(F)cc1 ZINC000539697385 285084423 /nfs/dbraw/zinc/08/44/23/285084423.db2.gz JVXJHNZBAFEGQG-UHFFFAOYSA-N 1 0 318.396 2.344 10 0 DEAERO CC[N@H+](CCc1nccs1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000159289869 197342887 /nfs/dbraw/zinc/34/28/87/197342887.db2.gz ZVQQBJSFFWCCIT-JTQLQIEISA-N 1 0 321.368 2.171 10 0 DEAERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC000540157918 285111445 /nfs/dbraw/zinc/11/14/45/285111445.db2.gz OPACUKRYSOMCEQ-UONOGXRCSA-N 1 0 305.422 2.458 10 0 DEAERO Cc1c(C(=O)N[C@@H](C[NH3+])C2CC2)cnn1-c1ccccc1Cl ZINC000159124431 197329478 /nfs/dbraw/zinc/32/94/78/197329478.db2.gz QCTJHLVBAYGQNK-AWEZNQCLSA-N 1 0 318.808 2.301 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(C)C2CC2)cc(C)c1F ZINC000159061092 197323856 /nfs/dbraw/zinc/32/38/56/197323856.db2.gz SORINQGEFCOURB-UHFFFAOYSA-N 1 0 300.399 2.027 10 0 DEAERO Cc1cc(N2CC[NH+](CCC3CCCC3)CC2)n2ncnc2n1 ZINC000159052493 197322386 /nfs/dbraw/zinc/32/23/86/197322386.db2.gz DHKMQGKHFNYEDV-UHFFFAOYSA-N 1 0 314.437 2.135 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cccc(Oc2cnccn2)c1 ZINC000540516570 285119376 /nfs/dbraw/zinc/11/93/76/285119376.db2.gz NLAMBWIOIOMORI-UHFFFAOYSA-N 1 0 314.389 2.293 10 0 DEAERO Cc1onc(-c2ccncc2)c1C(=O)N(C)CCC[NH+](C)C ZINC000540517670 285119938 /nfs/dbraw/zinc/11/99/38/285119938.db2.gz OOBOMSBVUUQVDA-UHFFFAOYSA-N 1 0 302.378 2.069 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(-c3ccccc3)nn2)C1 ZINC000158952492 197314352 /nfs/dbraw/zinc/31/43/52/197314352.db2.gz YTVZBELTLSRMKC-CQSZACIVSA-N 1 0 311.389 2.311 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000158837122 197305346 /nfs/dbraw/zinc/30/53/46/197305346.db2.gz AMDSBSAHSVKGOZ-BXUZGUMPSA-N 1 0 317.838 2.128 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000158713305 197295925 /nfs/dbraw/zinc/29/59/25/197295925.db2.gz RNQYISXQAXPCPI-CYBMUJFWSA-N 1 0 307.442 2.029 10 0 DEAERO CN([C@@H](C[NH3+])c1cc(Br)ccc1F)[C@@H]1CCOC1 ZINC000158658672 197292016 /nfs/dbraw/zinc/29/20/16/197292016.db2.gz XWHGPFXRSQOKGU-MFKMUULPSA-N 1 0 317.202 2.309 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)ccc1C ZINC000158749502 197299062 /nfs/dbraw/zinc/29/90/62/197299062.db2.gz OQVPGZATQRNVNC-ZIAGYGMSSA-N 1 0 308.447 2.135 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCOC1 ZINC000158725010 197297331 /nfs/dbraw/zinc/29/73/31/197297331.db2.gz WVIDRLKQVOXQHP-ZBFHGGJFSA-N 1 0 311.447 2.173 10 0 DEAERO C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1cccc(Cl)c1 ZINC000120252582 195128562 /nfs/dbraw/zinc/12/85/62/195128562.db2.gz YUGICVBVFJEFON-XHDPSFHLSA-N 1 0 313.829 2.013 10 0 DEAERO CCc1nn(C)c2c1nc(S)n2[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158614881 197288765 /nfs/dbraw/zinc/28/87/65/197288765.db2.gz IPESPAPLEHPUFY-MNOVXSKESA-N 1 0 305.451 2.420 10 0 DEAERO C[C@@H]1OCC[C@H]1N(C)[C@@H](C[NH3+])c1ccccc1OC(F)F ZINC000158609066 197288192 /nfs/dbraw/zinc/28/81/92/197288192.db2.gz JBXSAWDCNXFPKI-UHTWSYAYSA-N 1 0 300.349 2.397 10 0 DEAERO C[C@H]1[C@@H]([NH3+])C[C@@H]1c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000158561180 197284128 /nfs/dbraw/zinc/28/41/28/197284128.db2.gz DPKKOQSYKNWBOU-ZHAHWJHGSA-N 1 0 307.337 2.473 10 0 DEAERO NNc1[nH+]cc(C(=O)NC[C@H]2CCCCS2)cc1Cl ZINC000158491885 197277340 /nfs/dbraw/zinc/27/73/40/197277340.db2.gz MOYMTORRNSTLAM-SECBINFHSA-N 1 0 300.815 2.036 10 0 DEAERO CC(C)Oc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000158446480 197273072 /nfs/dbraw/zinc/27/30/72/197273072.db2.gz OFERCINPTFGVCE-DZGCQCFKSA-N 1 0 305.422 2.424 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000120276890 195134096 /nfs/dbraw/zinc/13/40/96/195134096.db2.gz ZPLRXJVRQOZQAB-GXTWGEPZSA-N 1 0 317.437 2.475 10 0 DEAERO COc1c([C@H](C[NH3+])N(C)[C@@H](C)c2cccs2)c(C)nn1C ZINC000158387173 197267892 /nfs/dbraw/zinc/26/78/92/197267892.db2.gz UHPLNKWRIZYIPP-RYUDHWBXSA-N 1 0 308.451 2.491 10 0 DEAERO COCCn1ncc(Br)c1[C@@H]([NH3+])c1cccs1 ZINC000158348134 197264463 /nfs/dbraw/zinc/26/44/63/197264463.db2.gz NSDGKVHGTGZSRC-JTQLQIEISA-N 1 0 316.224 2.402 10 0 DEAERO COCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)nc1 ZINC000158347488 197264475 /nfs/dbraw/zinc/26/44/75/197264475.db2.gz RRDSIRUUHKCWGC-UHFFFAOYSA-N 1 0 300.284 2.022 10 0 DEAERO CC(C)(C)[C@@H]([NH3+])C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000158242431 197256134 /nfs/dbraw/zinc/25/61/34/197256134.db2.gz KCWLEIIFDYDESX-NSHDSACASA-N 1 0 318.826 2.055 10 0 DEAERO COCCNC(=O)[C@H](C)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000157899113 197224114 /nfs/dbraw/zinc/22/41/14/197224114.db2.gz OCDMONXENZMJGZ-GWCFXTLKSA-N 1 0 312.410 2.103 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2O[C@@H]2CCOC2)C1 ZINC000120300243 195138685 /nfs/dbraw/zinc/13/86/85/195138685.db2.gz NUPYAMOTQOQFTL-UONOGXRCSA-N 1 0 319.405 2.022 10 0 DEAERO COC(=O)[C@@](C)(C[C@H](C)[N@H+](C)CCOC(C)C)NC(C)C ZINC000157500212 197191714 /nfs/dbraw/zinc/19/17/14/197191714.db2.gz UVXJJCLCFKCVPW-GOEBONIOSA-N 1 0 302.459 2.052 10 0 DEAERO CCc1nn(C)c(C[C@@](C)(F)C[C@H]2COCC[NH2+]2)c1Cl ZINC000157546366 197196027 /nfs/dbraw/zinc/19/60/27/197196027.db2.gz CETXVUHYOSOKHD-HZMBPMFUSA-N 1 0 303.809 2.285 10 0 DEAERO COc1cc(F)c(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1OC ZINC000157371427 197183094 /nfs/dbraw/zinc/18/30/94/197183094.db2.gz PIROWSWRJJFDGF-MRXNPFEDSA-N 1 0 312.385 2.336 10 0 DEAERO CC[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N1C[C@H](C)C[C@@H]1C ZINC000157416917 197186729 /nfs/dbraw/zinc/18/67/29/197186729.db2.gz MLEXAHKAFOQZMD-MNOVXSKESA-N 1 0 314.451 2.425 10 0 DEAERO COC[C@H](C)[NH2+]CCOc1c(Br)cccc1OC ZINC000157290879 197177354 /nfs/dbraw/zinc/17/73/54/197177354.db2.gz ANCHNPZRKLEHBR-JTQLQIEISA-N 1 0 318.211 2.461 10 0 DEAERO CCOCCN(C)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1Cl ZINC000157117798 197162494 /nfs/dbraw/zinc/16/24/94/197162494.db2.gz OHDFVWRNFDGLSU-LBPRGKRZSA-N 1 0 316.829 2.325 10 0 DEAERO COc1cc(Br)cc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000157060534 197159402 /nfs/dbraw/zinc/15/94/02/197159402.db2.gz TVWIUJYMELYFJS-HTQZYQBOSA-N 1 0 301.184 2.380 10 0 DEAERO CCCN(CC(F)(F)F)C(=O)[C@]1([NH3+])C[C@H](OCC)C1(C)C ZINC000156945830 197151677 /nfs/dbraw/zinc/15/16/77/197151677.db2.gz LOMJMCXZOKAVRO-GXFFZTMASA-N 1 0 310.360 2.320 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@]1(O)C1(C[NH3+])CCCCCCC1 ZINC000156881006 197147421 /nfs/dbraw/zinc/14/74/21/197147421.db2.gz VBOZPCKRXKIFLJ-UKRRQHHQSA-N 1 0 303.468 2.004 10 0 DEAERO C[C@](O)(Cc1sccc1Br)C[C@@H]1COCC[NH2+]1 ZINC000156858699 197145379 /nfs/dbraw/zinc/14/53/79/197145379.db2.gz CVLMZVIERRRRQC-BXKDBHETSA-N 1 0 320.252 2.183 10 0 DEAERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000156793257 197141529 /nfs/dbraw/zinc/14/15/29/197141529.db2.gz JTEVDLADIAMPNT-CYBMUJFWSA-N 1 0 320.405 2.493 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2cccc(F)c2Br)CCC1=O ZINC000156768779 197139273 /nfs/dbraw/zinc/13/92/73/197139273.db2.gz JIISKIQJRCJPRR-JTQLQIEISA-N 1 0 315.186 2.299 10 0 DEAERO CCSCC[C@@H](C)Nc1nc(NN)[nH+]cc1Br ZINC000156687383 197132930 /nfs/dbraw/zinc/13/29/30/197132930.db2.gz KCFFXVNPHDEZHQ-SSDOTTSWSA-N 1 0 320.260 2.468 10 0 DEAERO OC1(COc2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000156586724 197125755 /nfs/dbraw/zinc/12/57/55/197125755.db2.gz RDWWBJVCEPLDKP-UHFFFAOYSA-N 1 0 304.159 2.082 10 0 DEAERO COc1cccc(C[C@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)n1 ZINC000558698069 291903163 /nfs/dbraw/zinc/90/31/63/291903163.db2.gz NFPIRJWXTHFZAY-WFASDCNBSA-N 1 0 300.406 2.422 10 0 DEAERO COc1ccc(CCNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000156127942 197088451 /nfs/dbraw/zinc/08/84/51/197088451.db2.gz PHOCFKSYRSXNQD-PBHICJAKSA-N 1 0 319.449 2.266 10 0 DEAERO [NH3+]Cc1ccccc1NC(=O)CC[S@@](=O)c1cccs1 ZINC000155970008 197077969 /nfs/dbraw/zinc/07/79/69/197077969.db2.gz JCHQAWFETSDYLV-FQEVSTJZSA-N 1 0 308.428 2.343 10 0 DEAERO CC(C)[C@@H](O)C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000155950470 197076818 /nfs/dbraw/zinc/07/68/18/197076818.db2.gz GIAWTFZNJCNMII-ZDUSSCGKSA-N 1 0 314.223 2.491 10 0 DEAERO [NH3+]Cc1cccc(NC(=O)C[S@](=O)c2ccccc2F)c1 ZINC000155942755 197075624 /nfs/dbraw/zinc/07/56/24/197075624.db2.gz ROXLRHVTLKEINS-OAQYLSRUSA-N 1 0 306.362 2.031 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](O)c1ccsc1 ZINC000155387388 197049631 /nfs/dbraw/zinc/04/96/31/197049631.db2.gz HZLIWBCCSSRYLI-HZPDHXFCSA-N 1 0 318.442 2.071 10 0 DEAERO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CSC(=O)N1 ZINC000155008741 197013590 /nfs/dbraw/zinc/01/35/90/197013590.db2.gz ABRKVHDZRFWEIS-CQSZACIVSA-N 1 0 319.430 2.436 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261617288 291914716 /nfs/dbraw/zinc/91/47/16/291914716.db2.gz FYACUERXXDBQNK-CYBMUJFWSA-N 1 0 314.426 2.190 10 0 DEAERO COCOc1ccc(OC)cc1CN[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000120519842 195183101 /nfs/dbraw/zinc/18/31/01/195183101.db2.gz ZZYOJSOPAGWWRQ-PBHICJAKSA-N 1 0 322.449 2.496 10 0 DEAERO CC[N@@H+]1C[C@@H](COC)[C@@]2(CCN(Cc3scnc3C)C2)C1 ZINC000248052873 257109123 /nfs/dbraw/zinc/10/91/23/257109123.db2.gz SSRILXDHMLGJLA-HOCLYGCPSA-N 1 0 309.479 2.242 10 0 DEAERO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2cnn(C)c2)o1 ZINC000248102029 257109389 /nfs/dbraw/zinc/10/93/89/257109389.db2.gz FBZUROFXSAZMPS-HZPDHXFCSA-N 1 0 314.389 2.091 10 0 DEAERO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3c(C)cccc3C)C[C@H]21 ZINC000247908775 257113940 /nfs/dbraw/zinc/11/39/40/257113940.db2.gz CYTYGNUKFDYPQU-QZTJIDSGSA-N 1 0 302.418 2.125 10 0 DEAERO O=C1[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2CN1Cc1ccncc1 ZINC000247854451 257116048 /nfs/dbraw/zinc/11/60/48/257116048.db2.gz IUQFNLVYKQTTFS-HZPDHXFCSA-N 1 0 313.426 2.234 10 0 DEAERO O=C1[C@@H]2C[N@H+](Cc3cccs3)C[C@H]2CCN1c1cncnc1 ZINC000247812453 257117792 /nfs/dbraw/zinc/11/77/92/257117792.db2.gz BCGUPGZQNHEYLQ-IUODEOHRSA-N 1 0 314.414 2.023 10 0 DEAERO O=C(NCc1cccs1)[C@]12CCO[C@H]1CC[N@@H+](C1CCC1)C2 ZINC000247497144 257118771 /nfs/dbraw/zinc/11/87/71/257118771.db2.gz OLVWLNWTRWSKTD-RDJZCZTQSA-N 1 0 320.458 2.398 10 0 DEAERO O=C(NCC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2[N@H+](Cc2ccsc2)C1 ZINC000247517577 257119488 /nfs/dbraw/zinc/11/94/88/257119488.db2.gz WFUMTNUTUXGOLI-PMPSAXMXSA-N 1 0 320.458 2.254 10 0 DEAERO C[NH+](C)C1(CNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)CCC1 ZINC000295011843 224377520 /nfs/dbraw/zinc/37/75/20/224377520.db2.gz VPEUZJMIOLILON-UHFFFAOYSA-N 1 0 315.417 2.130 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C1 ZINC000121040611 195285964 /nfs/dbraw/zinc/28/59/64/195285964.db2.gz PCHJGCCPPDKJJC-AGIUHOORSA-N 1 0 323.462 2.453 10 0 DEAERO Cn1cc(CCn2c(N)[nH+]c3cc(Br)ccc32)cn1 ZINC000122027278 195391507 /nfs/dbraw/zinc/39/15/07/195391507.db2.gz QXWAIWCYAWATOP-UHFFFAOYSA-N 1 0 320.194 2.357 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000122036116 195392785 /nfs/dbraw/zinc/39/27/85/195392785.db2.gz RPZNKNKABKEZHW-GUYCJALGSA-N 1 0 320.481 2.427 10 0 DEAERO c1cc(-c2noc(CN3CCCC[C@H]3[C@H]3CCC[NH2+]3)n2)co1 ZINC000561279143 291958730 /nfs/dbraw/zinc/95/87/30/291958730.db2.gz KQUWVJWHSSUHRI-KGLIPLIRSA-N 1 0 302.378 2.436 10 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UGYFALPRUOBASN-NEPJUHHUSA-N 1 0 305.813 2.398 10 0 DEAERO CCCC(=O)NCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000058504775 132490779 /nfs/dbraw/zinc/49/07/79/132490779.db2.gz SFWKZBGULJZNNH-UHFFFAOYSA-N 1 0 323.481 2.208 10 0 DEAERO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000177829749 132530109 /nfs/dbraw/zinc/53/01/09/132530109.db2.gz IQNOEDHLEBNVDW-MRXNPFEDSA-N 1 0 318.417 2.068 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000227195769 132551265 /nfs/dbraw/zinc/55/12/65/132551265.db2.gz VJUAPXWRRRYJGT-GXFFZTMASA-N 1 0 316.854 2.396 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245578467 132567899 /nfs/dbraw/zinc/56/78/99/132567899.db2.gz BPCOAZLRGMFWRM-JMSVASOKSA-N 1 0 304.438 2.215 10 0 DEAERO FC(F)c1cc2nc(C3C[NH2+]C3)nn2c(Br)c1 ZINC000725248438 542770820 /nfs/dbraw/zinc/77/08/20/542770820.db2.gz UYZCGQTZENPMMT-UHFFFAOYSA-N 1 0 303.110 2.116 10 0 DEAERO C[C@@H](Cc1ccccc1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000357685809 133093857 /nfs/dbraw/zinc/09/38/57/133093857.db2.gz HNEIPSVDXKNOKC-INIZCTEOSA-N 1 0 317.477 2.007 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357877352 133106822 /nfs/dbraw/zinc/10/68/22/133106822.db2.gz ZGIRCEAMDCJSMN-DZGCQCFKSA-N 1 0 315.421 2.235 10 0 DEAERO C[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000358142823 133123947 /nfs/dbraw/zinc/12/39/47/133123947.db2.gz RMWBTJASKRJCEE-INIZCTEOSA-N 1 0 315.461 2.282 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)CC1 ZINC000358200442 133127816 /nfs/dbraw/zinc/12/78/16/133127816.db2.gz ZZTDBNFUERSRMD-SJORKVTESA-N 1 0 322.497 2.201 10 0 DEAERO C[C@H](CCNC(=O)C(=O)N1CCC[C@H](C)CC1)[NH+]1CCCCC1 ZINC000359703794 133140182 /nfs/dbraw/zinc/14/01/82/133140182.db2.gz CFNTVWGXERSNBD-JKSUJKDBSA-N 1 0 323.481 2.016 10 0 DEAERO C[C@@H](CCNC(=O)C(=O)N1CCC[C@H](C)CC1)[NH+]1CCCCC1 ZINC000359703791 133140293 /nfs/dbraw/zinc/14/02/93/133140293.db2.gz CFNTVWGXERSNBD-HOTGVXAUSA-N 1 0 323.481 2.016 10 0 DEAERO CC[NH+](CC)[C@H](C(=O)NC[C@@H](CO)C1CC1)c1ccccc1 ZINC000359817726 133146900 /nfs/dbraw/zinc/14/69/00/133146900.db2.gz DYAWCTWXZLDJLU-IRXDYDNUSA-N 1 0 304.434 2.204 10 0 DEAERO COC(=O)c1cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c[nH]1 ZINC000360277043 133173229 /nfs/dbraw/zinc/17/32/29/133173229.db2.gz ZSOGBDTXHBDDCD-CYBMUJFWSA-N 1 0 316.357 2.121 10 0 DEAERO CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000361894993 133198439 /nfs/dbraw/zinc/19/84/39/133198439.db2.gz RTLSSDWOWHFIDU-KZNAEPCWSA-N 1 0 308.466 2.430 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000362235387 133218931 /nfs/dbraw/zinc/21/89/31/133218931.db2.gz KMMBHCKRMJESEH-ZIAGYGMSSA-N 1 0 304.390 2.018 10 0 DEAERO C[C@H]1C[NH+](CC(=O)NCCc2cccc3cccnc32)C[C@@H]1C ZINC000362445934 133230778 /nfs/dbraw/zinc/23/07/78/133230778.db2.gz FSSGOBUUICQZMZ-GJZGRUSLSA-N 1 0 311.429 2.481 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000373019546 133374612 /nfs/dbraw/zinc/37/46/12/133374612.db2.gz HWBGUXPUVMDBTF-YLFCFFPRSA-N 1 0 323.481 2.196 10 0 DEAERO Cn1ccnc1[C@@H]1CCCN(Cc2cn(C(C)(C)C)nn2)C1 ZINC000373230194 133383358 /nfs/dbraw/zinc/38/33/58/133383358.db2.gz PVVRIKYXFVSQNZ-CYBMUJFWSA-N 1 0 302.426 2.146 10 0 DEAERO [NH3+]CCCOC1CCN(c2ccc(Br)cn2)CC1 ZINC000094073303 134424312 /nfs/dbraw/zinc/42/43/12/134424312.db2.gz JSCQUJHXFJJMGI-UHFFFAOYSA-N 1 0 314.227 2.178 10 0 DEAERO Nc1c[nH+]ccc1N1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000051171100 134761845 /nfs/dbraw/zinc/76/18/45/134761845.db2.gz AIHRDAUHCKRJNS-UHFFFAOYSA-N 1 0 322.821 2.341 10 0 DEAERO C[N@H+](Cc1cccc(Br)c1)[C@@]1(CO)CCOC1 ZINC000359571641 147353256 /nfs/dbraw/zinc/35/32/56/147353256.db2.gz LOKWDRAXQIPLRW-CYBMUJFWSA-N 1 0 300.196 2.032 10 0 DEAERO CN1CCO[C@H](C[NH2+]Cc2cccn2Cc2cccs2)C1 ZINC000119089375 144660344 /nfs/dbraw/zinc/66/03/44/144660344.db2.gz ZARXGJMQFXHUHE-OAHLLOKOSA-N 1 0 305.447 2.018 10 0 DEAERO Cc1cc(C[C@H](C)NC(=O)NC2CCC(C[NH+](C)C)CC2)[nH]n1 ZINC000123123849 144697072 /nfs/dbraw/zinc/69/70/72/144697072.db2.gz UFNOLKGQNVUPIU-GRTSSRMGSA-N 1 0 321.469 2.069 10 0 DEAERO CCOC(=O)CCCC[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000132976805 144770470 /nfs/dbraw/zinc/77/04/70/144770470.db2.gz DUKUWXZVWXQROF-MRXNPFEDSA-N 1 0 322.453 2.340 10 0 DEAERO COc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1 ZINC000171826764 144813043 /nfs/dbraw/zinc/81/30/43/144813043.db2.gz LKXHDZVSWBRDLV-AWEZNQCLSA-N 1 0 319.449 2.463 10 0 DEAERO O=C(N[C@H]1CCC[C@H]1CCO)N1CCC(C[NH+]2CCCC2)CC1 ZINC000188445726 145012229 /nfs/dbraw/zinc/01/22/29/145012229.db2.gz RQZLVNPNORJEHM-IRXDYDNUSA-N 1 0 323.481 2.055 10 0 DEAERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cn2ccnc2s1 ZINC000188571861 145013989 /nfs/dbraw/zinc/01/39/89/145013989.db2.gz BBYLQRCNZSYNED-LBPRGKRZSA-N 1 0 306.435 2.342 10 0 DEAERO O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CC[NH+]2CCC1CC2 ZINC000188617809 145014678 /nfs/dbraw/zinc/01/46/78/145014678.db2.gz JIDIWHDOFOXGRI-DZGCQCFKSA-N 1 0 306.356 2.375 10 0 DEAERO O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N1CC[NH+]2CCC1CC2 ZINC000188667499 145015668 /nfs/dbraw/zinc/01/56/68/145015668.db2.gz OXDHRKULWMIIKV-STQMWFEESA-N 1 0 306.356 2.375 10 0 DEAERO Cc1ccc([C@@H]2CCCCN2C(=O)c2[nH]nc3c2C[NH2+]CC3)o1 ZINC000188917207 145019476 /nfs/dbraw/zinc/01/94/76/145019476.db2.gz VLLHRAMQUOZFSN-AWEZNQCLSA-N 1 0 314.389 2.324 10 0 DEAERO FC(F)C(F)(F)COCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000189576235 145030114 /nfs/dbraw/zinc/03/01/14/145030114.db2.gz DUBRHGXTMRPRFO-GFCCVEGCSA-N 1 0 322.302 2.452 10 0 DEAERO O=C(C1CC[NH+](C[C@@H](O)CC2CCCC2)CC1)N1CCCC1 ZINC000190296859 145040676 /nfs/dbraw/zinc/04/06/76/145040676.db2.gz AQANBMLETFGJKJ-KRWDZBQOSA-N 1 0 308.466 2.262 10 0 DEAERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2ccon2)CC1 ZINC000190349453 145041257 /nfs/dbraw/zinc/04/12/57/145041257.db2.gz RVOJXEMCNLBVSK-UHFFFAOYSA-N 1 0 323.437 2.303 10 0 DEAERO CCc1n[nH]c(C2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)n1 ZINC000190674331 145045705 /nfs/dbraw/zinc/04/57/05/145045705.db2.gz 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CCCN1CCC[C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261826633 145230974 /nfs/dbraw/zinc/23/09/74/145230974.db2.gz YPGNHJGISQAJDH-OAHLLOKOSA-N 1 0 305.397 2.284 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)Cc1c[nH]c2ncccc12 ZINC000261836305 145232147 /nfs/dbraw/zinc/23/21/47/145232147.db2.gz ZOHGGZBOMRVSOT-UHFFFAOYSA-N 1 0 322.412 2.135 10 0 DEAERO CCNC(=O)c1ccc(C)c(NC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000261856175 145233643 /nfs/dbraw/zinc/23/36/43/145233643.db2.gz JXNFPJPOOYJMNJ-OAHLLOKOSA-N 1 0 317.433 2.461 10 0 DEAERO CCCN(CC(=O)N[C@H](C)c1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000261865927 145235270 /nfs/dbraw/zinc/23/52/70/145235270.db2.gz GMGVGQOEQSLQEY-CJNGLKHVSA-N 1 0 307.413 2.077 10 0 DEAERO CCN(CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(C)c1 ZINC000261865963 145235298 /nfs/dbraw/zinc/23/52/98/145235298.db2.gz XJOSBEDNMVODSQ-NVXWUHKLSA-N 1 0 303.450 2.313 10 0 DEAERO Cc1ccc(CN(C)C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000261885627 145237927 /nfs/dbraw/zinc/23/79/27/145237927.db2.gz NCMAADOLZHEIQV-TXPKVOOTSA-N 1 0 316.445 2.486 10 0 DEAERO Cc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1-c1ncco1 ZINC000261910600 145240362 /nfs/dbraw/zinc/24/03/62/145240362.db2.gz SZFOYLHWFRPEPD-UHFFFAOYSA-N 1 0 301.346 2.096 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1[NH3+])c1noc(-c2ccccc2)n1 ZINC000261912082 145241362 /nfs/dbraw/zinc/24/13/62/145241362.db2.gz JCWLWJMEKQYNES-CYZMBNFOSA-N 1 0 300.362 2.041 10 0 DEAERO CCc1ccc(O)c(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261924558 145242785 /nfs/dbraw/zinc/24/27/85/145242785.db2.gz SBTMGKJBROWVBO-WBHUJUFNSA-N 1 0 318.417 2.426 10 0 DEAERO [NH3+]C1(C(=O)N2CCC(Cc3cccc(F)c3)CC2)CCOCC1 ZINC000261949967 145245708 /nfs/dbraw/zinc/24/57/08/145245708.db2.gz YVEOUNZRDDTGMY-UHFFFAOYSA-N 1 0 320.408 2.115 10 0 DEAERO Cc1cccc(OCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000261950005 145245749 /nfs/dbraw/zinc/24/57/49/145245749.db2.gz MWMXYTMHDIINNY-UAGQMJEPSA-N 1 0 302.418 2.411 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(Cc3ccncc3)cc2)CCOCC1 ZINC000261953851 145246603 /nfs/dbraw/zinc/24/66/03/145246603.db2.gz ZLPPZCYHTXZFQF-UHFFFAOYSA-N 1 0 311.385 2.119 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000261970405 145248226 /nfs/dbraw/zinc/24/82/26/145248226.db2.gz QAPKPOMXPJFNSF-XEZPLFJOSA-N 1 0 307.413 2.205 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000261971971 145248882 /nfs/dbraw/zinc/24/88/82/145248882.db2.gz QFLHHNLWQNIEBH-VNHYZAJKSA-N 1 0 307.413 2.062 10 0 DEAERO C[C@H]1CCN(CC(=O)Nc2cccc3c2N=S=N3)[C@@H](C[NH3+])C1 ZINC000261980432 145249134 /nfs/dbraw/zinc/24/91/34/145249134.db2.gz AIHVCIZEDUUPIT-WDEREUQCSA-N 1 0 319.434 2.411 10 0 DEAERO [NH3+]C1(c2noc([C@H]3C[C@H]3c3ccc4c(c3)OCCO4)n2)CCC1 ZINC000262007657 145253176 /nfs/dbraw/zinc/25/31/76/145253176.db2.gz USAHJWAJLNQUTD-RYUDHWBXSA-N 1 0 313.357 2.450 10 0 DEAERO COc1cc(CCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc(OC)c1 ZINC000262024124 145254724 /nfs/dbraw/zinc/25/47/24/145254724.db2.gz OXVWFWNHYAWXIX-MRXNPFEDSA-N 1 0 320.433 2.222 10 0 DEAERO Cc1ccc(C[C@H](C)NC(=O)C2(C[NH3+])CCOCC2)c(C)c1 ZINC000262042379 145255946 /nfs/dbraw/zinc/25/59/46/145255946.db2.gz YSEQEKPGYPJKSZ-HNNXBMFYSA-N 1 0 304.434 2.106 10 0 DEAERO [NH3+]Cc1ccc(-c2noc(CNC(=O)C3CCCCC3)n2)cc1 ZINC000262044706 145256660 /nfs/dbraw/zinc/25/66/60/145256660.db2.gz PPMBAXCDTFXAEM-UHFFFAOYSA-N 1 0 314.389 2.392 10 0 DEAERO CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262231010 145270672 /nfs/dbraw/zinc/27/06/72/145270672.db2.gz QIPQPUXHWIYNCJ-JTQLQIEISA-N 1 0 323.824 2.272 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000262229798 145270857 /nfs/dbraw/zinc/27/08/57/145270857.db2.gz NSKHPXCRODXWHN-ZWKOTPCHSA-N 1 0 323.396 2.212 10 0 DEAERO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262257070 145272296 /nfs/dbraw/zinc/27/22/96/145272296.db2.gz TYMONGXTMGASSU-GUYCJALGSA-N 1 0 322.424 2.199 10 0 DEAERO CCC[C@H]1[C@H](C)CCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262274572 145272749 /nfs/dbraw/zinc/27/27/49/145272749.db2.gz NHVMTWCTXAWMDF-SIXLDLHFSA-N 1 0 318.465 2.150 10 0 DEAERO C[C@@H](C(=O)NCc1ccc(CO)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000262305629 145275181 /nfs/dbraw/zinc/27/51/81/145275181.db2.gz OPMCOXCQVYIASF-SJKOYZFVSA-N 1 0 316.376 2.270 10 0 DEAERO C[C@H](C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)C1C[NH2+]C1 ZINC000262472431 145286047 /nfs/dbraw/zinc/28/60/47/145286047.db2.gz YLXMUTWAQSTBRW-ZUZCIYMTSA-N 1 0 314.389 2.208 10 0 DEAERO O=C(CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)Nc1ccccc1 ZINC000262489607 145287662 /nfs/dbraw/zinc/28/76/62/145287662.db2.gz WGMCREASLCEPHY-BMFZPTHFSA-N 1 0 315.417 2.052 10 0 DEAERO CCOc1ccc(NC(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000262566875 145293710 /nfs/dbraw/zinc/29/37/10/145293710.db2.gz WWLGOPORITVKLU-OAHLLOKOSA-N 1 0 305.422 2.083 10 0 DEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262579211 145295109 /nfs/dbraw/zinc/29/51/09/145295109.db2.gz YQKXFFZVOJJTRG-KAYRBKQESA-N 1 0 308.466 2.461 10 0 DEAERO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC[C@H]1c1cn[nH]c1 ZINC000262654455 145298372 /nfs/dbraw/zinc/29/83/72/145298372.db2.gz BUIVPBIQSADSIL-WDVRLDOZSA-N 1 0 302.422 2.384 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262719082 145301293 /nfs/dbraw/zinc/30/12/93/145301293.db2.gz FGRHQLGBDQATNT-IAQYHMDHSA-N 1 0 318.808 2.254 10 0 DEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H](O)c1cccc(Cl)c1 ZINC000262903003 145310139 /nfs/dbraw/zinc/31/01/39/145310139.db2.gz DVHKLKNTDDAHEE-YCPHGPKFSA-N 1 0 310.825 2.397 10 0 DEAERO COc1ccc2c(CC(=O)N[C@H]3CC[NH2+][C@H](C)C3)coc2c1 ZINC000262963720 145314171 /nfs/dbraw/zinc/31/41/71/145314171.db2.gz WVMHYIWCCFTFDS-YPMHNXCESA-N 1 0 302.374 2.241 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2)CC[NH2+]1 ZINC000262980772 145315547 /nfs/dbraw/zinc/31/55/47/145315547.db2.gz YQVVOOPTBVFHMV-FZMZJTMJSA-N 1 0 318.808 2.396 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(/C=C/c2ccc(Cl)cc2)n1 ZINC000263140677 145328775 /nfs/dbraw/zinc/32/87/75/145328775.db2.gz CHKDPKPGAFFILK-WXJAXGNASA-N 1 0 304.781 2.470 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(C(C)(C)c2ccc(F)cc2)n1 ZINC000263201441 145335313 /nfs/dbraw/zinc/33/53/13/145335313.db2.gz JDOFRNFIYBAFRM-CYBMUJFWSA-N 1 0 304.369 2.111 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cc(-c3cccs3)on2)n1 ZINC000263205805 145335967 /nfs/dbraw/zinc/33/59/67/145335967.db2.gz JRVIFEPZQKKKCO-JTQLQIEISA-N 1 0 317.374 2.029 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(/C=C/c2ccc3ccccc3n2)n1 ZINC000263214268 145337357 /nfs/dbraw/zinc/33/73/57/145337357.db2.gz KPAHBLILTIRSNR-FDMDGMSGSA-N 1 0 321.384 2.364 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000263223074 145337927 /nfs/dbraw/zinc/33/79/27/145337927.db2.gz MGHFAIICEMJNQK-UHIISALHSA-N 1 0 320.343 2.195 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2C[C@]23CCc2ccccc23)n1 ZINC000263221636 145338013 /nfs/dbraw/zinc/33/80/13/145338013.db2.gz LXSXRUDPQYCDAJ-DAYGRLMNSA-N 1 0 310.401 2.017 10 0 DEAERO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)[NH+]1CCC([C@H](C)O)CC1 ZINC000304048524 145340044 /nfs/dbraw/zinc/34/00/44/145340044.db2.gz KDQMXHOSTMHTEN-SOXILONMSA-N 1 0 310.482 2.409 10 0 DEAERO C[C@H](CCNC(=O)N[C@H]1CCO[C@@H]1C1CC1)[NH+]1CCCCC1 ZINC000332846262 145389563 /nfs/dbraw/zinc/38/95/63/145389563.db2.gz BGTFYYUSJZHXKA-VNQPRFMTSA-N 1 0 309.454 2.118 10 0 DEAERO CO[C@H]1C[C@@H](C(=O)N2CCC(C)=C(c3ccco3)C2)[N@H+](C)C1 ZINC000346925855 146165953 /nfs/dbraw/zinc/16/59/53/146165953.db2.gz OXTSQSLXQXEGFX-ZFWWWQNUSA-N 1 0 304.390 2.005 10 0 DEAERO CC(C)[C@@H](C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC000349570627 146386679 /nfs/dbraw/zinc/38/66/79/146386679.db2.gz SWOVKRZNVOQIME-KBPBESRZSA-N 1 0 320.437 2.239 10 0 DEAERO C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000358509028 147147598 /nfs/dbraw/zinc/14/75/98/147147598.db2.gz VTIMQGNROVCPKK-IIAWOOMASA-N 1 0 305.422 2.108 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC2(C)Cc3ccccc3C2)CC1 ZINC000358645504 147172704 /nfs/dbraw/zinc/17/27/04/147172704.db2.gz CQSUVPDXAGPTKC-UHFFFAOYSA-N 1 0 313.445 2.495 10 0 DEAERO C[C@@H](C(=O)NCc1ccc2cc[nH]c2n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359422362 147324948 /nfs/dbraw/zinc/32/49/48/147324948.db2.gz MRKLHTLHBXQNHT-XQQFMLRXSA-N 1 0 300.406 2.440 10 0 DEAERO CC1=CCN(CC[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000565497286 292166167 /nfs/dbraw/zinc/16/61/67/292166167.db2.gz PHHUCYGUCGYSDW-CQSZACIVSA-N 1 0 315.417 2.320 10 0 DEAERO O=C1C[C@H]([NH2+]CC2=CCCOC2)CN1c1ccccc1Cl ZINC000370758118 148052759 /nfs/dbraw/zinc/05/27/59/148052759.db2.gz RAUAJAIKBKZDHW-ZDUSSCGKSA-N 1 0 306.793 2.382 10 0 DEAERO NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1-n1cccn1 ZINC000371870707 148148442 /nfs/dbraw/zinc/14/84/42/148148442.db2.gz SGHVQNUWBIDAQS-QGZVFWFLSA-N 1 0 320.396 2.059 10 0 DEAERO Cc1csc([C@H](C)NC(=O)N2CC[C@H](c3nccn3C)C2)n1 ZINC000372301795 148192455 /nfs/dbraw/zinc/19/24/55/148192455.db2.gz LNFRMJLTOAGRSH-RYUDHWBXSA-N 1 0 319.434 2.445 10 0 DEAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cccc3c2OCO3)n1 ZINC000374256706 148222499 /nfs/dbraw/zinc/22/24/99/148222499.db2.gz PBGSTOBGKZZHFZ-HNNXBMFYSA-N 1 0 314.389 2.288 10 0 DEAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cccc3c2OCO3)n1 ZINC000374256709 148223242 /nfs/dbraw/zinc/22/32/42/148223242.db2.gz PBGSTOBGKZZHFZ-OAHLLOKOSA-N 1 0 314.389 2.288 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCC[C@](C)(O)C1)CC2 ZINC000375263248 148349318 /nfs/dbraw/zinc/34/93/18/148349318.db2.gz IRWIXYCIVQNZFZ-SJCJKPOMSA-N 1 0 305.422 2.011 10 0 DEAERO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000566005528 292197017 /nfs/dbraw/zinc/19/70/17/292197017.db2.gz QTGCUTKCFMTKBK-XMTFNYHQSA-N 1 0 317.429 2.336 10 0 DEAERO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000073989775 401726880 /nfs/dbraw/zinc/72/68/80/401726880.db2.gz DCBKIUDJFJTUIE-SUMWQHHRSA-N 1 0 320.408 2.456 10 0 DEAERO CCc1cnc(CCNC(=O)NCCC2CC[NH+](C)CC2)s1 ZINC000074085754 401729610 /nfs/dbraw/zinc/72/96/10/401729610.db2.gz YJKBSCGFYMIZJU-UHFFFAOYSA-N 1 0 324.494 2.279 10 0 DEAERO Fc1cc(C[NH2+]C[C@H]2COCCO2)ccc1Br ZINC000127406614 401733383 /nfs/dbraw/zinc/73/33/83/401733383.db2.gz AEPQMPJVJHPCBA-JTQLQIEISA-N 1 0 304.159 2.093 10 0 DEAERO CN1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CCC1=O ZINC000127476619 401737208 /nfs/dbraw/zinc/73/72/08/401737208.db2.gz KYRCFAXKIDORFS-SNVBAGLBSA-N 1 0 315.186 2.299 10 0 DEAERO CC[C@@H]1C[N@H+](CCCCCn2cc(C)cn2)CCN1C[C@@H](C)O ZINC000111227872 401701942 /nfs/dbraw/zinc/70/19/42/401701942.db2.gz NIMXNHQSLZNIIX-QZTJIDSGSA-N 1 0 322.497 2.139 10 0 DEAERO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3C[C@H]3C)cc2)CC1 ZINC000072094586 401703575 /nfs/dbraw/zinc/70/35/75/401703575.db2.gz WYPZUWOKMSEQFQ-PBHICJAKSA-N 1 0 301.434 2.355 10 0 DEAERO C[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072897646 401713641 /nfs/dbraw/zinc/71/36/41/401713641.db2.gz PYAONOSOUBMUBR-CHWSQXEVSA-N 1 0 303.406 2.235 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1nc(C2CC2)cs1 ZINC000111413560 401714926 /nfs/dbraw/zinc/71/49/26/401714926.db2.gz GRLBXWKCJDJIHH-LBPRGKRZSA-N 1 0 324.450 2.253 10 0 DEAERO C[C@@H](CNC(=O)N1CCC[N@@H+](C2CC2)CC1)Oc1ccccc1 ZINC000073230469 401716679 /nfs/dbraw/zinc/71/66/79/401716679.db2.gz SQXVZDKIEOVRLD-HNNXBMFYSA-N 1 0 317.433 2.334 10 0 DEAERO O=C(c1cnn2c1CCCC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000127053484 401718337 /nfs/dbraw/zinc/71/83/37/401718337.db2.gz PPUFTKNFLCWGNG-OAHLLOKOSA-N 1 0 316.449 2.310 10 0 DEAERO C[C@H](C1CC1)N(C(=O)NCCCC[NH+]1CCOCC1)C1CC1 ZINC000073676416 401719914 /nfs/dbraw/zinc/71/99/14/401719914.db2.gz QBFPMLKXPBKABO-CQSZACIVSA-N 1 0 309.454 2.071 10 0 DEAERO O=C(C[NH2+][C@H]1CCCC[C@H]1n1cccn1)NC(C1CC1)C1CC1 ZINC000129089682 401798737 /nfs/dbraw/zinc/79/87/37/401798737.db2.gz UPIBLYFFJQQDPB-JKSUJKDBSA-N 1 0 316.449 2.261 10 0 DEAERO CN(CC[NH+]1CCCCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000077285797 401808990 /nfs/dbraw/zinc/80/89/90/401808990.db2.gz NFIYGONOXRLMSD-KRWDZBQOSA-N 1 0 301.434 2.210 10 0 DEAERO Fc1ccccc1-c1n[nH]cc1CN1CC[NH+](C2CC2)CC1 ZINC000127916889 401755513 /nfs/dbraw/zinc/75/55/13/401755513.db2.gz QZSHIPVTNCHTSU-UHFFFAOYSA-N 1 0 300.381 2.496 10 0 DEAERO COc1ccc(C)cc1NC(=O)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000127914724 401755587 /nfs/dbraw/zinc/75/55/87/401755587.db2.gz WQJGJWOHTSIWPN-AWEZNQCLSA-N 1 0 319.449 2.357 10 0 DEAERO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000112741892 401757529 /nfs/dbraw/zinc/75/75/29/401757529.db2.gz YXBUGEFTKYCIPR-GASCZTMLSA-N 1 0 311.470 2.317 10 0 DEAERO COc1ccccc1NCC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000112869223 401760253 /nfs/dbraw/zinc/76/02/53/401760253.db2.gz HWDQPFSUTYWRCM-CQSZACIVSA-N 1 0 305.422 2.098 10 0 DEAERO O=C1NCCCC[C@@H]1[NH+]1CCC(OCc2ccccc2)CC1 ZINC000010988545 401772804 /nfs/dbraw/zinc/77/28/04/401772804.db2.gz BTVYFUHDNKKEAV-KRWDZBQOSA-N 1 0 302.418 2.336 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)OCO2 ZINC000113367331 401777296 /nfs/dbraw/zinc/77/72/96/401777296.db2.gz DTZIUIAAZBTUDS-WCQYABFASA-N 1 0 303.362 2.116 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cc(F)cc(F)c1 ZINC000113608687 401783882 /nfs/dbraw/zinc/78/38/82/401783882.db2.gz GHHLJXYQGXBCAE-MLGOLLRUSA-N 1 0 323.387 2.385 10 0 DEAERO COc1ccccc1CCNC(=O)C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000076149381 401784918 /nfs/dbraw/zinc/78/49/18/401784918.db2.gz NLPSCRKAWCDBGZ-HUUCEWRRSA-N 1 0 304.434 2.474 10 0 DEAERO OCC[N@H+](C[C@@H](O)COCc1ccccc1)C1CCCCC1 ZINC000113767770 401785805 /nfs/dbraw/zinc/78/58/05/401785805.db2.gz WBIJUCDLAOFLBG-GOSISDBHSA-N 1 0 307.434 2.191 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(F)cc2)[C@H](C)C1 ZINC000076487070 401796286 /nfs/dbraw/zinc/79/62/86/401796286.db2.gz IYPVNANLRBLZGQ-CJNGLKHVSA-N 1 0 308.397 2.393 10 0 DEAERO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)[C@H](C)CO ZINC000077757043 401829188 /nfs/dbraw/zinc/82/91/88/401829188.db2.gz XIAIZPJHOKKABE-HUUCEWRRSA-N 1 0 321.465 2.345 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)CO)CC(C)C ZINC000077761050 401829826 /nfs/dbraw/zinc/82/98/26/401829826.db2.gz VAYZOUCYZJOQJC-KKUMJFAQSA-N 1 0 301.475 2.059 10 0 DEAERO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCc3n[nH]cc32)c1 ZINC000132737722 401873234 /nfs/dbraw/zinc/87/32/34/401873234.db2.gz UUAFDCTZOBAUKV-OAHLLOKOSA-N 1 0 312.417 2.208 10 0 DEAERO C[NH+](C)C1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000131201165 401845580 /nfs/dbraw/zinc/84/55/80/401845580.db2.gz NPJRFMNDYSDUDD-UHFFFAOYSA-N 1 0 320.817 2.194 10 0 DEAERO CSCCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116251440 401846945 /nfs/dbraw/zinc/84/69/45/401846945.db2.gz KDDOQETWPMSTAS-ZFWWWQNUSA-N 1 0 307.463 2.161 10 0 DEAERO COc1ccc2c3c1O[C@H]1C(=O)C[C@@H](C)[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000029414775 401856432 /nfs/dbraw/zinc/85/64/32/401856432.db2.gz XENDXLLQEKTAFL-JTJXXDHKSA-N 1 0 313.397 2.179 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2cccc3ccccc32)CCO1 ZINC000116784570 401858599 /nfs/dbraw/zinc/85/85/99/401858599.db2.gz PVCGDRRSOVKEOZ-KRWDZBQOSA-N 1 0 312.413 2.171 10 0 DEAERO CCSCc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116784886 401858746 /nfs/dbraw/zinc/85/87/46/401858746.db2.gz DCMXKHSWWJBAJL-INIZCTEOSA-N 1 0 322.474 2.342 10 0 DEAERO CC[C@@H](CC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116787302 401859416 /nfs/dbraw/zinc/85/94/16/401859416.db2.gz PBBVJUOSMPTUHR-DOTOQJQBSA-N 1 0 304.434 2.359 10 0 DEAERO C[C@@H](C(=O)N1CCC(c2ccnn2C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000131908813 401859514 /nfs/dbraw/zinc/85/95/14/401859514.db2.gz NANCEZGPUHNKRT-ZNMIVQPWSA-N 1 0 318.465 2.387 10 0 DEAERO C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000078953585 401867814 /nfs/dbraw/zinc/86/78/14/401867814.db2.gz YJFWSDPHRWSDHL-OAHLLOKOSA-N 1 0 317.433 2.213 10 0 DEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2Br)C1 ZINC000040452305 401925081 /nfs/dbraw/zinc/92/50/81/401925081.db2.gz XBYRLFIPFSQZBL-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO CN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079459290 401873300 /nfs/dbraw/zinc/87/33/00/401873300.db2.gz HLXYLKFQYURDJV-AWEZNQCLSA-N 1 0 305.397 2.451 10 0 DEAERO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000079487893 401873867 /nfs/dbraw/zinc/87/38/67/401873867.db2.gz SGOCRGPKHOKVHK-RDJZCZTQSA-N 1 0 319.449 2.327 10 0 DEAERO C[C@]1(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000079511562 401875231 /nfs/dbraw/zinc/87/52/31/401875231.db2.gz LKQQXBZNVVJQKY-MRXNPFEDSA-N 1 0 307.825 2.131 10 0 DEAERO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000132892971 401875874 /nfs/dbraw/zinc/87/58/74/401875874.db2.gz HAPAJCSAJGAEOD-LSDHHAIUSA-N 1 0 318.465 2.458 10 0 DEAERO CCS(=O)(=O)N1CCC([NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000132966159 401876967 /nfs/dbraw/zinc/87/69/67/401876967.db2.gz BBOSIVFVJVBSPS-HNNXBMFYSA-N 1 0 324.490 2.269 10 0 DEAERO CC(C)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000032187048 401876997 /nfs/dbraw/zinc/87/69/97/401876997.db2.gz VFZGFEWESGVODQ-LBPRGKRZSA-N 1 0 302.212 2.434 10 0 DEAERO Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC[N@@H+](C3CC3)CC1)C2 ZINC000079848221 401881886 /nfs/dbraw/zinc/88/18/86/401881886.db2.gz KXASXIRWYIOBSJ-SFHVURJKSA-N 1 0 314.429 2.304 10 0 DEAERO Cc1cnn(CCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000118059463 401889976 /nfs/dbraw/zinc/88/99/76/401889976.db2.gz QDMAIZLROFPTOR-INIZCTEOSA-N 1 0 321.469 2.001 10 0 DEAERO CCc1cc(C)c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000134691964 401911081 /nfs/dbraw/zinc/91/10/81/401911081.db2.gz YNXHVBAUBKUHLK-ZIAGYGMSSA-N 1 0 308.422 2.380 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000118979755 401916611 /nfs/dbraw/zinc/91/66/11/401916611.db2.gz WZTKXUXSXAGANP-LRDDRELGSA-N 1 0 318.421 2.495 10 0 DEAERO CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1ccc(Br)o1 ZINC000037819848 401917798 /nfs/dbraw/zinc/91/77/98/401917798.db2.gz AFJDHBCMNNBQNG-SNVBAGLBSA-N 1 0 303.200 2.374 10 0 DEAERO C[C@@H]1CCC[C@H]([N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085786155 401918957 /nfs/dbraw/zinc/91/89/57/401918957.db2.gz NRENOAUGBKPQSB-ILXRZTDVSA-N 1 0 302.484 2.169 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1cccc(Br)c1 ZINC000038012400 401920285 /nfs/dbraw/zinc/92/02/85/401920285.db2.gz OMWDVJFAIGZDIZ-RISCZKNCSA-N 1 0 324.222 2.357 10 0 DEAERO COc1cc(C[NH2+]C[C@H](C)N(C)C)cc(Br)c1O ZINC000038088950 401922257 /nfs/dbraw/zinc/92/22/57/401922257.db2.gz WVNPQZKPLNEHKN-VIFPVBQESA-N 1 0 317.227 2.203 10 0 DEAERO OC[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000038114863 401922920 /nfs/dbraw/zinc/92/29/20/401922920.db2.gz TUZCNJSFTMDPRD-QWHCGFSZSA-N 1 0 300.196 2.251 10 0 DEAERO CCCNC(=O)c1cccc(NC(=O)[C@@H](CCC)[NH+](C)C)c1 ZINC000135993379 401957183 /nfs/dbraw/zinc/95/71/83/401957183.db2.gz DPPOXWAPEUKYBV-OAHLLOKOSA-N 1 0 305.422 2.495 10 0 DEAERO CC[C@H]1CN(C(=O)C2CCC(F)(F)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000136259229 401964419 /nfs/dbraw/zinc/96/44/19/401964419.db2.gz XRVAFJZSTNJUJS-OCCSQVGLSA-N 1 0 318.408 2.116 10 0 DEAERO O=C(c1ccccc1)N1CCC[N@@H+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000089883327 401969868 /nfs/dbraw/zinc/96/98/68/401969868.db2.gz BCAXQNPHLMWNIC-IRXDYDNUSA-N 1 0 302.418 2.138 10 0 DEAERO COC(=O)CC[N@@H+](CC(=O)Nc1cccc(C)c1)CC(C)C ZINC000119901579 401970637 /nfs/dbraw/zinc/97/06/37/401970637.db2.gz RKNIHCPKEFWIOQ-UHFFFAOYSA-N 1 0 306.406 2.455 10 0 DEAERO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000119900283 401970955 /nfs/dbraw/zinc/97/09/55/401970955.db2.gz YJDZKTNGSVZAFI-ZWKOTPCHSA-N 1 0 321.509 2.299 10 0 DEAERO COc1ccc(OCCC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000046859079 401973921 /nfs/dbraw/zinc/97/39/21/401973921.db2.gz PGCIYTHZMPXFEO-HNNXBMFYSA-N 1 0 320.433 2.455 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090004009 401978677 /nfs/dbraw/zinc/97/86/77/401978677.db2.gz ZVHDNHWBENUSQJ-ARFHVFGLSA-N 1 0 320.481 2.368 10 0 DEAERO CCc1nnc(NC(=O)N2CCC([NH+]3CCCC3)CC2)s1 ZINC000047345333 401981215 /nfs/dbraw/zinc/98/12/15/401981215.db2.gz HIUNWTXZZHMTLV-UHFFFAOYSA-N 1 0 309.439 2.193 10 0 DEAERO COc1ccc2c(c1)CCC[C@H]2CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000137395568 401982959 /nfs/dbraw/zinc/98/29/59/401982959.db2.gz RXCRDCQVBQULJZ-WMLDXEAASA-N 1 0 302.418 2.359 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000090551838 401985144 /nfs/dbraw/zinc/98/51/44/401985144.db2.gz RZSUDLDXROZLTB-ZDUSSCGKSA-N 1 0 323.387 2.390 10 0 DEAERO COc1cc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)ccc1F ZINC000090882377 401988335 /nfs/dbraw/zinc/98/83/35/401988335.db2.gz UTENECYIVBKMAK-LLVKDONJSA-N 1 0 315.410 2.310 10 0 DEAERO CN(CCNC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000140308627 401989020 /nfs/dbraw/zinc/98/90/20/401989020.db2.gz YVFGSZFCLFUSIC-UHFFFAOYSA-N 1 0 316.449 2.003 10 0 DEAERO Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(C)c1 ZINC000120570566 401994177 /nfs/dbraw/zinc/99/41/77/401994177.db2.gz GDBNRZPCQOGQFR-IAGOWNOFSA-N 1 0 316.445 2.405 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)C[C@@H]2CSCC[NH2+]2)cc1F ZINC000091135121 401994335 /nfs/dbraw/zinc/99/43/35/401994335.db2.gz UUFOJWBBFDJNJM-ZYHUDNBSSA-N 1 0 312.410 2.107 10 0 DEAERO c1ccc(OCCOCCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150771789 401994894 /nfs/dbraw/zinc/99/48/94/401994894.db2.gz HSXABZSPSAHGTD-GOSISDBHSA-N 1 0 318.461 2.500 10 0 DEAERO CC(C)[N@@H+]1C[C@H](NC(=O)NC[C@@H](C)Oc2ccccc2)[C@@H](C)C1 ZINC000120632165 401996456 /nfs/dbraw/zinc/99/64/56/401996456.db2.gz VNUVSDQHQOWVKA-UXLLHSPISA-N 1 0 319.449 2.482 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(-c2cccnc2)on1 ZINC000044532616 401944803 /nfs/dbraw/zinc/94/48/03/401944803.db2.gz MCTXYNYIPKWFLW-ZDUSSCGKSA-N 1 0 314.389 2.341 10 0 DEAERO COc1cc(C[N@H+](CCCCO)C2CC2)cc2c1OCCO2 ZINC000093383099 402014837 /nfs/dbraw/zinc/01/48/37/402014837.db2.gz MVUCCTHZHWFTHL-UHFFFAOYSA-N 1 0 307.390 2.203 10 0 DEAERO C[NH2+][C@H](CCO)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095075713 402024003 /nfs/dbraw/zinc/02/40/03/402024003.db2.gz IVVPMBQCWQKGFE-HZPDHXFCSA-N 1 0 306.406 2.006 10 0 DEAERO C[C@H](CCCO)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095016428 402024177 /nfs/dbraw/zinc/02/41/77/402024177.db2.gz JHABCOWMLGPEJP-ZIAGYGMSSA-N 1 0 300.443 2.384 10 0 DEAERO CC(C)(C)OC(=O)N1CCC([NH2+]CC(=O)c2ccc[nH]2)CC1 ZINC000095083527 402024412 /nfs/dbraw/zinc/02/44/12/402024412.db2.gz MKECZOOWVFFXMK-UHFFFAOYSA-N 1 0 307.394 2.187 10 0 DEAERO COc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000151255876 402026205 /nfs/dbraw/zinc/02/62/05/402026205.db2.gz WFFXYGMDUUHWFR-KGLIPLIRSA-N 1 0 310.413 2.332 10 0 DEAERO O[C@@H](CN[C@@H]1CCCOc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151265673 402026972 /nfs/dbraw/zinc/02/69/72/402026972.db2.gz OXIRZMHPOXTCHU-DOTOQJQBSA-N 1 0 322.424 2.476 10 0 DEAERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1N(C)C ZINC000151320925 402029595 /nfs/dbraw/zinc/02/95/95/402029595.db2.gz LDOSMTFVIZBUHL-GDBMZVCRSA-N 1 0 323.456 2.389 10 0 DEAERO Cc1cccc([C@@H](O)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000121391665 402032936 /nfs/dbraw/zinc/03/29/36/402032936.db2.gz 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KHNIQSYRDROYBK-CABCVRRESA-N 1 0 313.486 2.467 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)NC[C@H]2CCC[N@H+](C)C2)s1 ZINC000176563520 402320267 /nfs/dbraw/zinc/32/02/67/402320267.db2.gz NTUPJFJIRBSFCL-VXGBXAGGSA-N 1 0 311.451 2.231 10 0 DEAERO COC(=O)c1coc(C(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000185122903 402326381 /nfs/dbraw/zinc/32/63/81/402326381.db2.gz ABFBKJARHCLGPF-UHFFFAOYSA-N 1 0 308.378 2.013 10 0 DEAERO COCC(=O)N1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000185275768 402340333 /nfs/dbraw/zinc/34/03/33/402340333.db2.gz ANBLOGWOFNEDNA-UHFFFAOYSA-N 1 0 313.401 2.147 10 0 DEAERO CCN(CCC[NH2+]Cc1cnn(C)c1C)C(=O)OC(C)(C)C ZINC000229808335 402345586 /nfs/dbraw/zinc/34/55/86/402345586.db2.gz XEGQVTUPBVVPLA-UHFFFAOYSA-N 1 0 310.442 2.465 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)[C@H](CO)CC(C)C ZINC000185358380 402346274 /nfs/dbraw/zinc/34/62/74/402346274.db2.gz WQCSRCWBSHHNGS-GJZGRUSLSA-N 1 0 322.449 2.211 10 0 DEAERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000185366769 402347525 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C[C@@H](c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000237501033 402410015 /nfs/dbraw/zinc/41/00/15/402410015.db2.gz KONOIYVJHZRULD-XJKSGUPXSA-N 1 0 321.852 2.297 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C12CCOCC2 ZINC000186227307 402413180 /nfs/dbraw/zinc/41/31/80/402413180.db2.gz ANPAJCINWXRXEF-YESZJQIVSA-N 1 0 323.408 2.423 10 0 DEAERO CNC(=O)Cc1nc(CN2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000177547801 402415126 /nfs/dbraw/zinc/41/51/26/402415126.db2.gz YUDAMTLJYOIXPG-SECBINFHSA-N 1 0 321.368 2.206 10 0 DEAERO CCC[C@@H](C(=O)NC[C@H](C)Oc1ccccc1OC)[NH+](C)C ZINC000162332835 402416809 /nfs/dbraw/zinc/41/68/09/402416809.db2.gz KCLCTFDTRKUUKZ-KBPBESRZSA-N 1 0 308.422 2.309 10 0 DEAERO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000186349171 402423882 /nfs/dbraw/zinc/42/38/82/402423882.db2.gz BQSWDSNCSYKYCW-ZBFHGGJFSA-N 1 0 313.401 2.490 10 0 DEAERO Cc1cc(OCC(=O)N2CC[C@H]([NH+](C)C)C2)cc(C)c1Cl ZINC000162593640 402425733 /nfs/dbraw/zinc/42/57/33/402425733.db2.gz SETPHJJGIWPFJE-ZDUSSCGKSA-N 1 0 310.825 2.498 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000177696427 402427819 /nfs/dbraw/zinc/42/78/19/402427819.db2.gz MLFVPGKLZLREHC-LSDHHAIUSA-N 1 0 321.469 2.207 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000177710063 402429156 /nfs/dbraw/zinc/42/91/56/402429156.db2.gz TVGPMQMJKHVRKZ-QGZVFWFLSA-N 1 0 317.433 2.244 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2cc(C)n[nH]2)C12CCOCC2 ZINC000186423828 402430335 /nfs/dbraw/zinc/43/03/35/402430335.db2.gz JDBBOCSJIHOJCB-APHBMKBZSA-N 1 0 307.438 2.213 10 0 DEAERO O=C([C@H]1CC12CC[NH2+]CC2)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000237990188 402430682 /nfs/dbraw/zinc/43/06/82/402430682.db2.gz HTGPGENGQPRPQJ-JKSUJKDBSA-N 1 0 306.450 2.326 10 0 DEAERO CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000186475591 402434654 /nfs/dbraw/zinc/43/46/54/402434654.db2.gz WDFQINPZPHETLP-OAHLLOKOSA-N 1 0 318.417 2.341 10 0 DEAERO CCOc1ccccc1OCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186540942 402440461 /nfs/dbraw/zinc/44/04/61/402440461.db2.gz LTZXOIJMWXDWBK-AWEZNQCLSA-N 1 0 318.417 2.207 10 0 DEAERO CCCc1noc(CCCC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)n1 ZINC000186546371 402440593 /nfs/dbraw/zinc/44/05/93/402440593.db2.gz IDXJIMHSYUVPLG-ZDUSSCGKSA-N 1 0 320.437 2.088 10 0 DEAERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[NH+](C)C ZINC000161534787 402391071 /nfs/dbraw/zinc/39/10/71/402391071.db2.gz BTVMRCFKRZZOKF-JSGCOSHPSA-N 1 0 306.406 2.365 10 0 DEAERO CN(C(=O)CSCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161541485 402391083 /nfs/dbraw/zinc/39/10/83/402391083.db2.gz PZTGJUJYWVQRDY-YIONKMFJSA-N 1 0 305.447 2.056 10 0 DEAERO Cc1ccc(CCCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)s1 ZINC000177346432 402393289 /nfs/dbraw/zinc/39/32/89/402393289.db2.gz PRGZUZFKQJIOQB-UONOGXRCSA-N 1 0 324.490 2.293 10 0 DEAERO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[N@@H+](C2CC2)CC1 ZINC000246107068 402510537 /nfs/dbraw/zinc/51/05/37/402510537.db2.gz DGELBGVHSYFXOK-HPFXQQBRSA-N 1 0 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Cc1csc(CCCCNC(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000170836882 402531703 /nfs/dbraw/zinc/53/17/03/402531703.db2.gz JVKPFQFMRSDVEE-ZDUSSCGKSA-N 1 0 310.467 2.120 10 0 DEAERO COCCn1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccc21 ZINC000170855253 402533085 /nfs/dbraw/zinc/53/30/85/402533085.db2.gz QYERWXKZCDEHHP-AWEZNQCLSA-N 1 0 315.417 2.064 10 0 DEAERO C[C@@H](C(=O)NCc1ccc(CO)c(F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000170855500 402533358 /nfs/dbraw/zinc/53/33/58/402533358.db2.gz CYBIAEOMFNURLX-XQQFMLRXSA-N 1 0 308.397 2.196 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246493906 402533653 /nfs/dbraw/zinc/53/36/53/402533653.db2.gz KBAMCKIEIGXMHE-KLHDSHLOSA-N 1 0 323.481 2.364 10 0 DEAERO COc1ccc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000190162647 402580245 /nfs/dbraw/zinc/58/02/45/402580245.db2.gz WIVLADYBTLBLGR-CABCVRRESA-N 1 0 303.362 2.349 10 0 DEAERO CN(C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000248033578 402580935 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C[N@@H+]1CC[C@@H](NC(=O)C(F)(F)C2(O)CCC2)[C@@H]1c1ccccc1 ZINC000179338866 402585826 /nfs/dbraw/zinc/58/58/26/402585826.db2.gz YUAIVHNVNZIXHU-KGLIPLIRSA-N 1 0 324.371 2.098 10 0 DEAERO CC[C@H](C)c1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000249360084 402626908 /nfs/dbraw/zinc/62/69/08/402626908.db2.gz AFOPAZWEKMJYQP-ZENOOKHLSA-N 1 0 310.463 2.476 10 0 DEAERO c1nc(N2CCCCC2)cc(N2CCC[N@@H+](C3CC3)CC2)n1 ZINC000171831493 402626956 /nfs/dbraw/zinc/62/69/56/402626956.db2.gz LCINXVPPDYXRIU-UHFFFAOYSA-N 1 0 301.438 2.141 10 0 DEAERO CC[C@H](C[N@H+](CC)C[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000249409232 402628796 /nfs/dbraw/zinc/62/87/96/402628796.db2.gz DVFSEUGEKINIIF-IEBWSBKVSA-N 1 0 320.477 2.195 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)C2(c3ccccc3)CCOCC2)C1 ZINC000171554037 402594124 /nfs/dbraw/zinc/59/41/24/402594124.db2.gz UMWMAEOELGZHDI-KRWDZBQOSA-N 1 0 316.445 2.335 10 0 DEAERO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCCOC1 ZINC000171613302 402601274 /nfs/dbraw/zinc/60/12/74/402601274.db2.gz 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CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCc2ccc(C)cc2)CC[C@H]1C ZINC000251920370 402651272 /nfs/dbraw/zinc/65/12/72/402651272.db2.gz SIQCJQBJXQDZJH-HLLBOEOZSA-N 1 0 304.434 2.357 10 0 DEAERO C[C@H](NC(=O)Cc1cnn(C)c1)c1cccc(-n2ccnc2)c1 ZINC000173946579 402721048 /nfs/dbraw/zinc/72/10/48/402721048.db2.gz PXRROTBTIMAFJJ-ZDUSSCGKSA-N 1 0 309.373 2.026 10 0 DEAERO C[C@H]1CN(Cc2cccc(CNCc3cocn3)c2)CCO1 ZINC000192296017 402721591 /nfs/dbraw/zinc/72/15/91/402721591.db2.gz QLMTVQWOZKEJJA-AWEZNQCLSA-N 1 0 301.390 2.185 10 0 DEAERO Cc1nc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000192152013 402714748 /nfs/dbraw/zinc/71/47/48/402714748.db2.gz IKHUGGRQVSXULQ-SWLSCSKDSA-N 1 0 320.780 2.093 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1C ZINC000173883208 402716843 /nfs/dbraw/zinc/71/68/43/402716843.db2.gz ARTBBOCNLZBALN-HOCLYGCPSA-N 1 0 310.463 2.310 10 0 DEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000252733963 402660497 /nfs/dbraw/zinc/66/04/97/402660497.db2.gz 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c1[nH+]cn2ccc(-c3noc(COCc4cccnc4)n3)cc12 ZINC000347203609 403621663 /nfs/dbraw/zinc/62/16/63/403621663.db2.gz TZWWJRGFWCRWTA-UHFFFAOYSA-N 1 0 307.313 2.496 10 0 DEAERO COc1ccc(C)nc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000333212856 403696836 /nfs/dbraw/zinc/69/68/36/403696836.db2.gz ZYOKMSJHXSEPAL-KBPBESRZSA-N 1 0 318.421 2.252 10 0 DEAERO c1nc2nc(-c3ccccc3)cc(N3CC[NH+]4CCC3CC4)n2n1 ZINC000302757806 403721874 /nfs/dbraw/zinc/72/18/74/403721874.db2.gz JBCWLELTVRCDPF-UHFFFAOYSA-N 1 0 320.400 2.076 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)C12CCOCC2 ZINC000186355933 286385044 /nfs/dbraw/zinc/38/50/44/286385044.db2.gz VRAPECFSUWJTGQ-UONOGXRCSA-N 1 0 313.438 2.282 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](C3CCCCC3)C2)C1 ZINC000333660831 403806681 /nfs/dbraw/zinc/80/66/81/403806681.db2.gz LMZPHVZDNFTCLI-VNQPRFMTSA-N 1 0 309.454 2.105 10 0 DEAERO C[NH2+]C[C@H]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000333552863 403778915 /nfs/dbraw/zinc/77/89/15/403778915.db2.gz KKPZGRFIJXKDCT-CABCVRRESA-N 1 0 309.454 2.119 10 0 DEAERO C[C@H](CC1CC1)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305114468 403838365 /nfs/dbraw/zinc/83/83/65/403838365.db2.gz FCXJCYDGDFUCSL-KBRIMQKVSA-N 1 0 323.481 2.242 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCCC[NH2+]C2)no1 ZINC000333806688 403867592 /nfs/dbraw/zinc/86/75/92/403867592.db2.gz IPINSOBEZBSCGQ-OLZOCXBDSA-N 1 0 321.425 2.182 10 0 DEAERO O=C(N[C@@H]1CCCOc2c(F)cccc21)N[C@H]1CCCC[NH2+]C1 ZINC000333817084 403870998 /nfs/dbraw/zinc/87/09/98/403870998.db2.gz QNQBZAAROCCABI-SWLSCSKDSA-N 1 0 321.396 2.481 10 0 DEAERO CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333838471 403879473 /nfs/dbraw/zinc/87/94/73/403879473.db2.gz NUALBAZMDVRBML-CABCVRRESA-N 1 0 319.453 2.282 10 0 DEAERO C[C@H]1COc2ccccc2CN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333860939 403889805 /nfs/dbraw/zinc/88/98/05/403889805.db2.gz SBHHHIBCAVYCHM-DZGCQCFKSA-N 1 0 303.406 2.121 10 0 DEAERO CCC(CC)[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000333863791 403890856 /nfs/dbraw/zinc/89/08/56/403890856.db2.gz ZYXZQBKGHHYSPI-PMPSAXMXSA-N 1 0 311.470 2.412 10 0 DEAERO COc1nc(N[C@@H](C)CCCC[NH3+])ncc1Br ZINC000336703231 403913142 /nfs/dbraw/zinc/91/31/42/403913142.db2.gz KJSPCMMXQUKQIR-QMMMGPOBSA-N 1 0 303.204 2.177 10 0 DEAERO O[C@@H](c1ncc[nH]1)C1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000369141051 403981339 /nfs/dbraw/zinc/98/13/39/403981339.db2.gz YECJHBBOBZICAT-MRXNPFEDSA-N 1 0 311.389 2.003 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H]2COCC2(C)C)c1C ZINC000411799661 403972965 /nfs/dbraw/zinc/97/29/65/403972965.db2.gz WJTLSKAUQKRYMR-AAEUAGOBSA-N 1 0 306.406 2.420 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312676556 403973490 /nfs/dbraw/zinc/97/34/90/403973490.db2.gz OHPLPMFQEWWCJV-BXUZGUMPSA-N 1 0 316.854 2.254 10 0 DEAERO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000341581733 404049798 /nfs/dbraw/zinc/04/97/98/404049798.db2.gz HDUVUUNQSVUFFZ-ILXRZTDVSA-N 1 0 319.453 2.356 10 0 DEAERO c1cn(C[C@H]2CCC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)nn1 ZINC000369476120 404109313 /nfs/dbraw/zinc/10/93/13/404109313.db2.gz IKBFFCQMWHMNQW-ZDUSSCGKSA-N 1 0 312.377 2.173 10 0 DEAERO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000328635834 404119873 /nfs/dbraw/zinc/11/98/73/404119873.db2.gz NQOMVPNCGODPAP-ZOBUZTSGSA-N 1 0 306.429 2.278 10 0 DEAERO Cc1ccc(NC(=O)CN2C[C@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000369536737 404129764 /nfs/dbraw/zinc/12/97/64/404129764.db2.gz KHYYYKFWHQQPPD-SFHVURJKSA-N 1 0 318.417 2.203 10 0 DEAERO C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CCc2nccn2C1 ZINC000328650287 404125631 /nfs/dbraw/zinc/12/56/31/404125631.db2.gz VNTJOEHWLFWHQB-BBRMVZONSA-N 1 0 303.381 2.250 10 0 DEAERO Cn1nccc1[C@H]1[C@H]([NH2+]CCC2CCCCC2)CC(=O)N1C ZINC000328988915 404192408 /nfs/dbraw/zinc/19/24/08/404192408.db2.gz CNEBZAUQKDOYBG-RHSMWYFYSA-N 1 0 304.438 2.252 10 0 DEAERO Cc1nc([C@@H]2CCCN2C[C@@H]2CCO[C@H]2c2ccnn2C)no1 ZINC000328997158 404195105 /nfs/dbraw/zinc/19/51/05/404195105.db2.gz USVKHZVDKLNSGY-AEGPPILISA-N 1 0 317.393 2.026 10 0 DEAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329035847 404209122 /nfs/dbraw/zinc/20/91/22/404209122.db2.gz RDFFMVQHKCXSFN-LSCFUAHRSA-N 1 0 302.422 2.003 10 0 DEAERO C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000329191132 404259438 /nfs/dbraw/zinc/25/94/38/404259438.db2.gz QISVAFBUDNLGJY-GJZGRUSLSA-N 1 0 302.422 2.046 10 0 DEAERO CN(Cc1c[nH]c(-c2ccc(Cl)cc2)n1)[C@@H]1CCN(C)C1=O ZINC000363857125 404228079 /nfs/dbraw/zinc/22/80/79/404228079.db2.gz KFXDCNUVEDEAFM-CQSZACIVSA-N 1 0 318.808 2.393 10 0 DEAERO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccncc3F)n1)OC2 ZINC000329371044 404317787 /nfs/dbraw/zinc/31/77/87/404317787.db2.gz AWPRLZXAOFEIIU-WFASDCNBSA-N 1 0 304.325 2.197 10 0 DEAERO COc1ccc2c(c1)[C@@H](C)C[N@@H+](CC1(O)CCOCC1)CC2 ZINC000370951780 404427000 /nfs/dbraw/zinc/42/70/00/404427000.db2.gz AVECQTGMZBIZMF-AWEZNQCLSA-N 1 0 305.418 2.198 10 0 DEAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)nn1 ZINC000329544929 404371661 /nfs/dbraw/zinc/37/16/61/404371661.db2.gz ZCJLXCQDRRSIEJ-RRCSTGOVSA-N 1 0 322.453 2.169 10 0 DEAERO c1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c2c(c1)OCCCO2 ZINC000356293992 404428953 /nfs/dbraw/zinc/42/89/53/404428953.db2.gz XZXZNKNXAMCRER-QAPCUYQASA-N 1 0 319.401 2.276 10 0 DEAERO CN(C)c1nccc(C[NH2+]CCc2ccc3ccccc3n2)n1 ZINC000361026758 404883908 /nfs/dbraw/zinc/88/39/08/404883908.db2.gz JSHPTDOREKRRAN-UHFFFAOYSA-N 1 0 307.401 2.423 10 0 DEAERO CN1C[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OC(F)F)cc2)C1=O ZINC000367021185 404901239 /nfs/dbraw/zinc/90/12/39/404901239.db2.gz LHTCPHVPQTXYON-ZIAGYGMSSA-N 1 0 310.344 2.341 10 0 DEAERO OC[C@H](C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)[C@@H]1CCOC1 ZINC000360871561 404841730 /nfs/dbraw/zinc/84/17/30/404841730.db2.gz JUPOHYNEKJZIDS-OQIJWPOYSA-N 1 0 319.445 2.389 10 0 DEAERO Nc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000378573062 405003415 /nfs/dbraw/zinc/00/34/15/405003415.db2.gz YNYXPLIKTFVCMO-PIIMJCKOSA-N 1 0 307.397 2.129 10 0 DEAERO OCC1([NH2+]Cc2ccsc2Br)CCOCC1 ZINC000388987462 405036728 /nfs/dbraw/zinc/03/67/28/405036728.db2.gz SNCBYOHGIKECEN-UHFFFAOYSA-N 1 0 306.225 2.142 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)c2ncccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000379661926 405028650 /nfs/dbraw/zinc/02/86/50/405028650.db2.gz GTWMMXJMZUKTCP-ZBFHGGJFSA-N 1 0 324.428 2.447 10 0 DEAERO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC000379998608 405029589 /nfs/dbraw/zinc/02/95/89/405029589.db2.gz ONYVHIVVHCMJOT-BXUZGUMPSA-N 1 0 316.854 2.254 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccc(Br)cc1 ZINC000384209335 405033023 /nfs/dbraw/zinc/03/30/23/405033023.db2.gz CFUAHAFNXSKXER-MFKMUULPSA-N 1 0 311.223 2.453 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2Br)C1 ZINC000389991147 405043348 /nfs/dbraw/zinc/04/33/48/405043348.db2.gz NIVQXKYBGKTIFC-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2COCC2(C)C)cc1 ZINC000451808829 405046916 /nfs/dbraw/zinc/04/69/16/405046916.db2.gz KRQSRYXFQJYJSY-IAQYHMDHSA-N 1 0 304.390 2.231 10 0 DEAERO CS(=O)(=O)CCCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000424298642 405063418 /nfs/dbraw/zinc/06/34/18/405063418.db2.gz SUYDMZVXLMZEHT-UHFFFAOYSA-N 1 0 311.447 2.149 10 0 DEAERO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1nscc1Br ZINC000404878899 405069214 /nfs/dbraw/zinc/06/92/14/405069214.db2.gz YSZJIYSKPREBTD-VXNVDRBHSA-N 1 0 318.240 2.070 10 0 DEAERO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2nnnn2C(C)(C)C)C1 ZINC000407979637 405082562 /nfs/dbraw/zinc/08/25/62/405082562.db2.gz DEQYHXMKYUYNCJ-TUVASFSCSA-N 1 0 321.469 2.190 10 0 DEAERO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000407978998 405082675 /nfs/dbraw/zinc/08/26/75/405082675.db2.gz MTDQUMQSFXNXNU-LVQVYYBASA-N 1 0 323.481 2.011 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424413278 405086927 /nfs/dbraw/zinc/08/69/27/405086927.db2.gz CSWQZSBTZLWJRW-HUUCEWRRSA-N 1 0 304.394 2.061 10 0 DEAERO C[C@@H]1CC=CC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000408019798 405090205 /nfs/dbraw/zinc/09/02/05/405090205.db2.gz BATPSZOSDLGEJK-BGTYHANMSA-N 1 0 320.477 2.473 10 0 DEAERO CC1(C)CN(CC[S@](=O)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000361510077 405108541 /nfs/dbraw/zinc/10/85/41/405108541.db2.gz GHKOOTVGMMYEBH-VGSWGCGISA-N 1 0 323.458 2.064 10 0 DEAERO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCc2cncnc2C1 ZINC000408094286 405110305 /nfs/dbraw/zinc/11/03/05/405110305.db2.gz RWCOEZPPXNYHBN-KQTLUZQSSA-N 1 0 316.449 2.164 10 0 DEAERO C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@H]1O ZINC000408094535 405110675 /nfs/dbraw/zinc/11/06/75/405110675.db2.gz ZLFZEQABTKAVDA-HUUCEWRRSA-N 1 0 311.470 2.053 10 0 DEAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000408102874 405112737 /nfs/dbraw/zinc/11/27/37/405112737.db2.gz DOHOZMIXKYMFNI-UONOGXRCSA-N 1 0 303.468 2.281 10 0 DEAERO Cc1cccc2c(N[C@@H]3CCCS(=O)(=O)C3)c(C)c[nH+]c12 ZINC000408239172 405149005 /nfs/dbraw/zinc/14/90/05/405149005.db2.gz VXLXCHLUCHITDU-CYBMUJFWSA-N 1 0 304.415 2.263 10 0 DEAERO CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000568408738 292339110 /nfs/dbraw/zinc/33/91/10/292339110.db2.gz XDNHUVUJQZXIJR-CXAGYDPISA-N 1 0 318.417 2.453 10 0 DEAERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3csnn3)C1)CCCC2 ZINC000408386106 405193973 /nfs/dbraw/zinc/19/39/73/405193973.db2.gz QKIZBLZDMGYAJW-LLVKDONJSA-N 1 0 317.418 2.009 10 0 DEAERO CC(C)c1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c(O)c1 ZINC000408413810 405200280 /nfs/dbraw/zinc/20/02/80/405200280.db2.gz IOUYCTRWOXLMCE-WBVHZDCISA-N 1 0 318.417 2.061 10 0 DEAERO CC[C@H](C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2)[NH+](C)C ZINC000408472464 405216042 /nfs/dbraw/zinc/21/60/42/405216042.db2.gz VJCXIVHJJCIYNO-ZIAGYGMSSA-N 1 0 319.453 2.008 10 0 DEAERO Cc1ccc(-c2ocnc2C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000439037552 405263347 /nfs/dbraw/zinc/26/33/47/405263347.db2.gz FVJGWFCDTOUJMQ-UHFFFAOYSA-N 1 0 322.368 2.309 10 0 DEAERO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000439065270 405264131 /nfs/dbraw/zinc/26/41/31/405264131.db2.gz PAKIKCGXCWVCRM-QMMMGPOBSA-N 1 0 311.234 2.193 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCC([C@@H]3CCCO3)CC2)CC1 ZINC000439068016 405264252 /nfs/dbraw/zinc/26/42/52/405264252.db2.gz PNBGQDHXVLUARP-KRWDZBQOSA-N 1 0 321.465 2.239 10 0 DEAERO CC(=O)c1ccccc1OCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420388363 405341308 /nfs/dbraw/zinc/34/13/08/405341308.db2.gz WUXFJESYXJCLHZ-GOSISDBHSA-N 1 0 302.418 2.344 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000426430686 405359218 /nfs/dbraw/zinc/35/92/18/405359218.db2.gz QSSJXGKWQDEZKW-UHFFFAOYSA-N 1 0 317.433 2.083 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(I)cn1 ZINC000420252039 405301173 /nfs/dbraw/zinc/30/11/73/405301173.db2.gz YYCGBLCXPGJCBT-WCBMZHEXSA-N 1 0 317.174 2.239 10 0 DEAERO COC[C@@H](NC(=O)NCC1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC000445863104 405359664 /nfs/dbraw/zinc/35/96/64/405359664.db2.gz KPUGGAJQJWJWLK-OAHLLOKOSA-N 1 0 323.412 2.297 10 0 DEAERO c1ccc(C[N@@H+]2CCCO[C@H](CN3CC[C@]34CCOC4)C2)cc1 ZINC000421016992 405430586 /nfs/dbraw/zinc/43/05/86/405430586.db2.gz JPVFPBBLGWESEE-RBUKOAKNSA-N 1 0 316.445 2.142 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2OCCF)C1 ZINC000455717758 405445834 /nfs/dbraw/zinc/44/58/34/405445834.db2.gz PZWYBEHNXYAVQD-CYBMUJFWSA-N 1 0 309.385 2.498 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(Cl)c(OC)c2)C1 ZINC000448764604 405446193 /nfs/dbraw/zinc/44/61/93/405446193.db2.gz TUTGWZYUGVVNLT-CYBMUJFWSA-N 1 0 310.825 2.349 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)c1cc(Cl)sc1Cl ZINC000638587615 405558494 /nfs/dbraw/zinc/55/84/94/405558494.db2.gz GNKBDMZXXHFYJV-UHFFFAOYSA-N 1 0 311.234 2.363 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)c1cc(Cl)ccc1Cl ZINC000638585960 405558945 /nfs/dbraw/zinc/55/89/45/405558945.db2.gz CXOJNWDFIHPDME-UHFFFAOYSA-N 1 0 305.205 2.301 10 0 DEAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000458777617 405585637 /nfs/dbraw/zinc/58/56/37/405585637.db2.gz AONMZHGSFPQRIN-HNNXBMFYSA-N 1 0 315.421 2.187 10 0 DEAERO O[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)COCC1CC1 ZINC000493842851 405586520 /nfs/dbraw/zinc/58/65/20/405586520.db2.gz IWZDJLOQUSTJGK-LXPRWKDFSA-N 1 0 305.418 2.111 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)c2csc(Br)c2)C[NH2+]1 ZINC000638647050 405593119 /nfs/dbraw/zinc/59/31/19/405593119.db2.gz GRBAJYBOOZKMPJ-VXNVDRBHSA-N 1 0 303.225 2.381 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)Cc2cccc(Br)c2)C[NH2+]1 ZINC000638651805 405595484 /nfs/dbraw/zinc/59/54/84/405595484.db2.gz HAQDKMXRFZMRNZ-GWCFXTLKSA-N 1 0 311.223 2.248 10 0 DEAERO c1ccc(N2CC[C@H](C[NH2+]CCCO[C@H]3CCOC3)C2)cc1 ZINC000638741638 405642824 /nfs/dbraw/zinc/64/28/24/405642824.db2.gz ICZBBOYNJHLDFL-AEFFLSMTSA-N 1 0 304.434 2.298 10 0 DEAERO COC(=O)CC1(CC(=O)NC(C)(C)C[NH+]2CCCC2)CCCC1 ZINC000457037815 405666401 /nfs/dbraw/zinc/66/64/01/405666401.db2.gz CASWJRZPFSKTDI-UHFFFAOYSA-N 1 0 324.465 2.491 10 0 DEAERO [NH3+][C@H]1CCCCCN(C(=O)c2ccc(Br)cn2)C1 ZINC000638819009 405690990 /nfs/dbraw/zinc/69/09/90/405690990.db2.gz HWAGDJSRGFYCOA-NSHDSACASA-N 1 0 312.211 2.188 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]CC1)N1CCOc2cc(F)ccc2C1 ZINC000638807971 405681361 /nfs/dbraw/zinc/68/13/61/405681361.db2.gz RQZRXQJLVFYIBA-CYBMUJFWSA-N 1 0 306.381 2.327 10 0 DEAERO CC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)cc1O ZINC000636090499 405731309 /nfs/dbraw/zinc/73/13/09/405731309.db2.gz GOABVOMIKMLJHF-CABCVRRESA-N 1 0 304.390 2.053 10 0 DEAERO CC(=O)c1ccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c(F)c1 ZINC000636097890 405737532 /nfs/dbraw/zinc/73/75/32/405737532.db2.gz LZEJDRORUVURTR-LSDHHAIUSA-N 1 0 306.381 2.487 10 0 DEAERO CC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c(F)c1 ZINC000636097889 405738003 /nfs/dbraw/zinc/73/80/03/405738003.db2.gz LZEJDRORUVURTR-HUUCEWRRSA-N 1 0 306.381 2.487 10 0 DEAERO Cc1c(Br)cccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638891866 405745010 /nfs/dbraw/zinc/74/50/10/405745010.db2.gz VFXYRDOABIJZET-MWLCHTKSSA-N 1 0 311.223 2.424 10 0 DEAERO C[NH+]1CCC(CC(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000457241059 405765024 /nfs/dbraw/zinc/76/50/24/405765024.db2.gz SAEYUGXTFNBWRF-GOSISDBHSA-N 1 0 324.465 2.299 10 0 DEAERO Cc1noc(CN2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)n1 ZINC000450422623 405889085 /nfs/dbraw/zinc/88/90/85/405889085.db2.gz NMMKGKRHFZLRKF-CYBMUJFWSA-N 1 0 314.380 2.321 10 0 DEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000423648104 405891871 /nfs/dbraw/zinc/89/18/71/405891871.db2.gz RHGJBLRTRDSXIG-LDYMZIIASA-N 1 0 303.189 2.320 10 0 DEAERO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000459422025 405896819 /nfs/dbraw/zinc/89/68/19/405896819.db2.gz FLDVRJQRTVZNIE-CYBMUJFWSA-N 1 0 320.462 2.002 10 0 DEAERO CCCC[N@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1ccccc1F ZINC000459307952 405845354 /nfs/dbraw/zinc/84/53/54/405845354.db2.gz AMULTDVJEHZEHA-CYBMUJFWSA-N 1 0 321.396 2.368 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000457457143 405848869 /nfs/dbraw/zinc/84/88/69/405848869.db2.gz LMJFMSKTSHFOGX-JKSUJKDBSA-N 1 0 316.401 2.138 10 0 DEAERO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCCNc2cc[nH+]cc2)o1 ZINC000560752820 405867187 /nfs/dbraw/zinc/86/71/87/405867187.db2.gz PVLSWUAFRSYZSL-DOMZBBRYSA-N 1 0 314.389 2.131 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000457614634 405921566 /nfs/dbraw/zinc/92/15/66/405921566.db2.gz XCATWQJBHPGPSK-CYBMUJFWSA-N 1 0 320.433 2.488 10 0 DEAERO c1nncn1CC1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000639292254 406026166 /nfs/dbraw/zinc/02/61/66/406026166.db2.gz CAUQZEYAJDFKLT-UHFFFAOYSA-N 1 0 308.389 2.134 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000457729214 405974640 /nfs/dbraw/zinc/97/46/40/405974640.db2.gz HLNWFKNIWHUFEO-MRXNPFEDSA-N 1 0 318.417 2.384 10 0 DEAERO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000459762193 406036617 /nfs/dbraw/zinc/03/66/17/406036617.db2.gz VTBTWYYOPZZQOQ-LSDHHAIUSA-N 1 0 307.390 2.145 10 0 DEAERO COc1ccc(OC)c(C[NH2+]C[C@H](CO)Cc2ccco2)c1 ZINC000532675237 406092955 /nfs/dbraw/zinc/09/29/55/406092955.db2.gz CFTYVMCJLJFIPQ-CYBMUJFWSA-N 1 0 305.374 2.238 10 0 DEAERO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532125093 406047692 /nfs/dbraw/zinc/04/76/92/406047692.db2.gz ZSWQUBMLWFXILE-KGLIPLIRSA-N 1 0 312.454 2.345 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](COC)Cc1ccccc1 ZINC000471696711 406110014 /nfs/dbraw/zinc/11/00/14/406110014.db2.gz JJLYFOCVPICICW-DLBZAZTESA-N 1 0 304.434 2.235 10 0 DEAERO CC(=O)N1CC[N@H+](Cc2cc[nH]c(=O)c2)CC12CCCCC2 ZINC000639556598 406145929 /nfs/dbraw/zinc/14/59/29/406145929.db2.gz OZYHCBYURSLQRG-UHFFFAOYSA-N 1 0 303.406 2.154 10 0 DEAERO O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)NC[C@H]1Cc2ccccc2O1 ZINC000476589713 406150830 /nfs/dbraw/zinc/15/08/30/406150830.db2.gz WDLNTTAHXNHHGI-YESZJQIVSA-N 1 0 314.429 2.228 10 0 DEAERO C[C@H]1C[C@H](CC[NH2+]Cc2c(Br)cnn2C)CCO1 ZINC000487567794 406247754 /nfs/dbraw/zinc/24/77/54/406247754.db2.gz BFZBDXKKLWYRFI-WDEREUQCSA-N 1 0 316.243 2.477 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000546565676 406362295 /nfs/dbraw/zinc/36/22/95/406362295.db2.gz GCIQRGTVBHBIOO-IAGOWNOFSA-N 1 0 323.481 2.389 10 0 DEAERO CC=CC[C@@H]1NC(=O)N([C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000521528085 406351588 /nfs/dbraw/zinc/35/15/88/406351588.db2.gz ULVGYIGQEBKHGI-SUSYHVFKSA-N 1 0 313.401 2.148 10 0 DEAERO CCC1([NH+](C)C)CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000640018269 406357035 /nfs/dbraw/zinc/35/70/35/406357035.db2.gz SFXQJUSJKJAYJD-GOSISDBHSA-N 1 0 320.477 2.370 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000547271893 406394224 /nfs/dbraw/zinc/39/42/24/406394224.db2.gz BNGGEDNGXARMNJ-OAHLLOKOSA-N 1 0 307.438 2.039 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C)c2ccccc2n1 ZINC000522545821 406407002 /nfs/dbraw/zinc/40/70/02/406407002.db2.gz JYRBVFQRUDFWOE-INIZCTEOSA-N 1 0 312.417 2.429 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489072431 406376219 /nfs/dbraw/zinc/37/62/19/406376219.db2.gz KPHHOYLHFGWVSM-UHFFFAOYSA-N 1 0 316.405 2.000 10 0 DEAERO C[C@H]1CCCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000637957178 406495223 /nfs/dbraw/zinc/49/52/23/406495223.db2.gz DKPDPDWLZIXCNE-RDJZCZTQSA-N 1 0 303.450 2.094 10 0 DEAERO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637871475 406455372 /nfs/dbraw/zinc/45/53/72/406455372.db2.gz QSBZWMGNDPZTEA-INMHGKMJSA-N 1 0 303.450 2.235 10 0 DEAERO [NH3+]C[C@]1(C(=O)Nc2cccc(Br)c2)CCCOC1 ZINC000637869319 406455575 /nfs/dbraw/zinc/45/55/75/406455575.db2.gz NOAJRWTWILVSLM-CYBMUJFWSA-N 1 0 313.195 2.143 10 0 DEAERO CC(C)CC[C@@H](C)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637873532 406456732 /nfs/dbraw/zinc/45/67/32/406456732.db2.gz PCMHLDDPPSNJNF-NVXWUHKLSA-N 1 0 305.466 2.387 10 0 DEAERO C[C@H](NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)c1cccs1 ZINC000637885237 406461865 /nfs/dbraw/zinc/46/18/65/406461865.db2.gz JKNUQQNQYBRZGP-DZGCQCFKSA-N 1 0 317.458 2.385 10 0 DEAERO CC(C)CC1(CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638044858 406541010 /nfs/dbraw/zinc/54/10/10/406541010.db2.gz NKPCLYJVJLALIO-QGZVFWFLSA-N 1 0 317.477 2.388 10 0 DEAERO CSc1cccc(NC(=O)C(=O)N(C)CCC[NH+](C)C)c1C ZINC000527344216 406621323 /nfs/dbraw/zinc/62/13/23/406621323.db2.gz LLNKUMMIJJVVIZ-UHFFFAOYSA-N 1 0 323.462 2.066 10 0 DEAERO CC[C@@H]1CC[C@H](C)N1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638313477 406693620 /nfs/dbraw/zinc/69/36/20/406693620.db2.gz XAMDBVYSNYQFMP-USXIJHARSA-N 1 0 303.450 2.235 10 0 DEAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H]2CSC2(C)C)cc1 ZINC000572596135 406699820 /nfs/dbraw/zinc/69/98/20/406699820.db2.gz JTOJBRFROKKOMF-ZFWWWQNUSA-N 1 0 309.431 2.113 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)Nc2ccc3c(c2)CCO3)CC1 ZINC000572776621 406735935 /nfs/dbraw/zinc/73/59/35/406735935.db2.gz ROIRFIWAGMHZBP-UHFFFAOYSA-N 1 0 301.390 2.395 10 0 DEAERO C[NH+](C)CCC1CCN(C(=O)NCCOCC2CCC2)CC1 ZINC000555250070 406837451 /nfs/dbraw/zinc/83/74/51/406837451.db2.gz QQMKPBZHQZULDI-UHFFFAOYSA-N 1 0 311.470 2.176 10 0 DEAERO CO[C@@H](C)[C@@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000570328765 292476319 /nfs/dbraw/zinc/47/63/19/292476319.db2.gz WYIOOWIBQFRCON-OWCLPIDISA-N 1 0 313.486 2.466 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1CCC2(CC1)OCCO2 ZINC000248916503 287229976 /nfs/dbraw/zinc/22/99/76/287229976.db2.gz UGEQHTDSUVEBOL-SJORKVTESA-N 1 0 308.466 2.478 10 0 DEAERO [NH3+][C@H](CCN1CCC(OCCO)CC1)c1ccc(Cl)cc1 ZINC000129390120 196043614 /nfs/dbraw/zinc/04/36/14/196043614.db2.gz XZEKUORGELZJJL-MRXNPFEDSA-N 1 0 312.841 2.203 10 0 DEAERO CCOC(=O)c1c(NC(=O)[C@H](C)CC[NH3+])sc2c1CCC2 ZINC000129431419 196047631 /nfs/dbraw/zinc/04/76/31/196047631.db2.gz BVTZJZPJLLDQNH-SECBINFHSA-N 1 0 310.419 2.337 10 0 DEAERO CC[NH2+]C[C@](C)(O)COc1ccc(OC)cc1Br ZINC000129533416 196055193 /nfs/dbraw/zinc/05/51/93/196055193.db2.gz YWRKADRLOINQEX-ZDUSSCGKSA-N 1 0 318.211 2.197 10 0 DEAERO c1ccc2nc(C[N@H+]3CC[C@H](CN4CCOCC4)C3)ccc2c1 ZINC000129607638 196061816 /nfs/dbraw/zinc/06/18/16/196061816.db2.gz UBJJEXDKKGQFCV-MRXNPFEDSA-N 1 0 311.429 2.389 10 0 DEAERO Cc1cc(Br)cc2nc(CN3CC[NH2+]CC3)[nH]c21 ZINC000129648329 196064849 /nfs/dbraw/zinc/06/48/49/196064849.db2.gz DNYRKYRYNXEOAO-UHFFFAOYSA-N 1 0 309.211 2.039 10 0 DEAERO C[C@@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1ccccc1Cl ZINC000129697285 196068268 /nfs/dbraw/zinc/06/82/68/196068268.db2.gz JNYLHBYZXBIBKI-GFCCVEGCSA-N 1 0 309.841 2.201 10 0 DEAERO CCC[C@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1cccs1 ZINC000129708348 196069303 /nfs/dbraw/zinc/06/93/03/196069303.db2.gz SGAWYGMMOJZPLT-ZDUSSCGKSA-N 1 0 309.479 2.389 10 0 DEAERO C[C@@](C[NH3+])(C1CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000130468973 196084755 /nfs/dbraw/zinc/08/47/55/196084755.db2.gz CPVSYGNIUZRYFG-CQSZACIVSA-N 1 0 323.190 2.173 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)[C@H](N)c1cccs1)c1ccccc1 ZINC000130564826 196091410 /nfs/dbraw/zinc/09/14/10/196091410.db2.gz UJEZUSXTBUCONO-UKRRQHHQSA-N 1 0 303.431 2.167 10 0 DEAERO Cc1cc(C(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)sc1C ZINC000130728640 196104450 /nfs/dbraw/zinc/10/44/50/196104450.db2.gz YLQKHTUOSPMEMW-CQSZACIVSA-N 1 0 307.463 2.003 10 0 DEAERO CC[NH2+][C@@H](Cc1ncnn1CC)c1ccc(Br)cn1 ZINC000130886535 196120239 /nfs/dbraw/zinc/12/02/39/196120239.db2.gz IENSVWCFYGWASW-LBPRGKRZSA-N 1 0 324.226 2.349 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NCC[C@H](C)SC)cc1 ZINC000130959365 196126713 /nfs/dbraw/zinc/12/67/13/196126713.db2.gz UPRLCHLULBESHW-LBPRGKRZSA-N 1 0 316.492 2.216 10 0 DEAERO CCCN(CCC)S(=O)(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000131031384 196133957 /nfs/dbraw/zinc/13/39/57/196133957.db2.gz AERPNXDVSDXLAC-UHFFFAOYSA-N 1 0 311.451 2.111 10 0 DEAERO CCc1nn(CCCS(C)(=O)=O)c(CC)c1[C@@H](CC)[NH2+]C ZINC000131093747 196139591 /nfs/dbraw/zinc/13/95/91/196139591.db2.gz KHKIDQZOQCGAKV-GFCCVEGCSA-N 1 0 315.483 2.113 10 0 DEAERO CCNc1ncc(Br)c(N[C@H](C)CC[NH+](C)C)n1 ZINC000131207995 196149784 /nfs/dbraw/zinc/14/97/84/196149784.db2.gz SMWLKIKOKKWJJK-SECBINFHSA-N 1 0 316.247 2.423 10 0 DEAERO CSCC[C@H](C)NS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000131233861 196152467 /nfs/dbraw/zinc/15/24/67/196152467.db2.gz NDKKMWSMANDMEF-WDEREUQCSA-N 1 0 302.465 2.126 10 0 DEAERO COc1ccc2c(N)c(C(=O)NC[C@@H](C)[NH+](C)C)sc2c1 ZINC000131248112 196152845 /nfs/dbraw/zinc/15/28/45/196152845.db2.gz KMIRWHKBJZOZCX-SECBINFHSA-N 1 0 307.419 2.172 10 0 DEAERO CCN1C(=[NH2+])NC[C@]1(C)c1cc(Br)ccc1F ZINC000131357488 196161792 /nfs/dbraw/zinc/16/17/92/196161792.db2.gz OJONNGQGGLVNOA-GFCCVEGCSA-N 1 0 300.175 2.454 10 0 DEAERO CC[C@](O)(c1c(Br)cnn1CC[NH+](C)C)C(C)C ZINC000131450532 196169520 /nfs/dbraw/zinc/16/95/20/196169520.db2.gz KOAAICCEAHYALD-CYBMUJFWSA-N 1 0 318.259 2.461 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)NCC1(C[NH3+])CCCCC1 ZINC000131562927 196179993 /nfs/dbraw/zinc/17/99/93/196179993.db2.gz OWJPKCBFMGYPBW-UHFFFAOYSA-N 1 0 314.426 2.322 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)cs1 ZINC000131780160 196198420 /nfs/dbraw/zinc/19/84/20/196198420.db2.gz WHQWTPZNNNRSCH-QWRGUYRKSA-N 1 0 302.465 2.134 10 0 DEAERO COC[C@@H](C)[C@@H](C[NH3+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000131936498 196211846 /nfs/dbraw/zinc/21/18/46/196211846.db2.gz XHXXGZFWECUMHB-CZUORRHYSA-N 1 0 311.857 2.072 10 0 DEAERO CNc1ncc(Br)c(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000131952684 196213261 /nfs/dbraw/zinc/21/32/61/196213261.db2.gz GHGFHWZIOBCDGJ-VIFPVBQESA-N 1 0 314.231 2.035 10 0 DEAERO [NH3+]C1(C(=O)NCCc2ccc(Cl)cc2Cl)CCOCC1 ZINC000132066909 196222962 /nfs/dbraw/zinc/22/29/62/196222962.db2.gz HHQQHSYXLNDUMN-UHFFFAOYSA-N 1 0 317.216 2.160 10 0 DEAERO C[C@H](O)C[NH2+]CCNC(=O)Nc1cc(Cl)ccc1Cl ZINC000132186040 196233573 /nfs/dbraw/zinc/23/35/73/196233573.db2.gz IERTUMXTQHDFBJ-QMMMGPOBSA-N 1 0 306.193 2.085 10 0 DEAERO C[C@@H]1CC[C@@](O)(c2c(Br)cnn2CC[NH+](C)C)C1 ZINC000132360454 196248999 /nfs/dbraw/zinc/24/89/99/196248999.db2.gz ZKBOTSOLAFIEMT-MFKMUULPSA-N 1 0 316.243 2.215 10 0 DEAERO CS(=O)(=O)CC[C@@H]([NH3+])c1csc(-c2cccs2)n1 ZINC000132384811 196250897 /nfs/dbraw/zinc/25/08/97/196250897.db2.gz NWBWKPLPPMDTHT-MRVPVSSYSA-N 1 0 302.446 2.306 10 0 DEAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1sc2cccnc2c1N ZINC000132317567 196245073 /nfs/dbraw/zinc/24/50/73/196245073.db2.gz VGOAVNXQOHVGNT-SNVBAGLBSA-N 1 0 304.419 2.045 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](COCc2cc(F)cc(Br)c2)O1 ZINC000132629643 196271942 /nfs/dbraw/zinc/27/19/42/196271942.db2.gz VXSWGZZTVHCZNO-TVQRCGJNSA-N 1 0 318.186 2.482 10 0 DEAERO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](CCn2ccnc2)C1 ZINC000132759263 196281233 /nfs/dbraw/zinc/28/12/33/196281233.db2.gz ZHMFCFYZPFOLMN-DLBZAZTESA-N 1 0 313.401 2.162 10 0 DEAERO CC(C)n1ncc(Br)c1[C@H](O)[C@@H]1CCC[NH2+]C1 ZINC000132872767 196291530 /nfs/dbraw/zinc/29/15/30/196291530.db2.gz FJTLJXGUBOVKAS-BXKDBHETSA-N 1 0 302.216 2.260 10 0 DEAERO CCCn1ncc(Br)c1[C@]1(O)CCC[C@@H]([NH3+])C1 ZINC000132887059 196293446 /nfs/dbraw/zinc/29/34/46/196293446.db2.gz DPVVCSRVTRQBPK-SKDRFNHKSA-N 1 0 302.216 2.145 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000133214924 196321481 /nfs/dbraw/zinc/32/14/81/196321481.db2.gz XKNUUUNQOVPQQV-UHFFFAOYSA-N 1 0 317.433 2.210 10 0 DEAERO CC(C)(C)OCCOc1ncc(Br)cc1C[NH3+] ZINC000133084115 196309773 /nfs/dbraw/zinc/30/97/73/196309773.db2.gz MJHRPJBOKIOXGJ-UHFFFAOYSA-N 1 0 303.200 2.497 10 0 DEAERO COC(=O)c1sccc1NC(=O)Cc1ccccc1C[NH3+] ZINC000133298811 196328338 /nfs/dbraw/zinc/32/83/38/196328338.db2.gz QOBBWQLSZKGRLG-UHFFFAOYSA-N 1 0 304.371 2.175 10 0 DEAERO CC(C)(CCc1ccccc1)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000133760515 196334762 /nfs/dbraw/zinc/33/47/62/196334762.db2.gz ZJWHVKPNRSOKAB-HNNXBMFYSA-N 1 0 310.463 2.069 10 0 DEAERO [NH3+]Cc1ccc(Cl)c(S(=O)(=O)NCCC2CCC2)c1 ZINC000133959114 196349723 /nfs/dbraw/zinc/34/97/23/196349723.db2.gz WCVZSQPMUGUUFI-UHFFFAOYSA-N 1 0 302.827 2.267 10 0 DEAERO CCSCC(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000133910086 196345104 /nfs/dbraw/zinc/34/51/04/196345104.db2.gz SZMDDSZGYIIVDJ-UHFFFAOYSA-N 1 0 320.256 2.143 10 0 DEAERO Cc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000133909766 196345433 /nfs/dbraw/zinc/34/54/33/196345433.db2.gz GYWFPTITWZWJNS-ZFWWWQNUSA-N 1 0 309.431 2.376 10 0 DEAERO CC[NH2+][C@@H](c1c(Cl)cnn1CCOC)[C@@H]1CCCCO1 ZINC000134014101 196353199 /nfs/dbraw/zinc/35/31/99/196353199.db2.gz RTGDNZJBXPWBDJ-QWHCGFSZSA-N 1 0 301.818 2.403 10 0 DEAERO FC(F)(F)[C@]1(c2nn3c(nnc3C3CCC3)s2)CC[NH2+]C1 ZINC000134050980 196356744 /nfs/dbraw/zinc/35/67/44/196356744.db2.gz BHLGDFQMNZALRT-LLVKDONJSA-N 1 0 317.340 2.247 10 0 DEAERO CC[C@H](CCO)N[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000134373210 196382732 /nfs/dbraw/zinc/38/27/32/196382732.db2.gz RWFICLKHSOFOIS-ZWNOBZJWSA-N 1 0 319.218 2.339 10 0 DEAERO CC[C@H](CCO)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000134382673 196384965 /nfs/dbraw/zinc/38/49/65/196384965.db2.gz HAZWMKQOVAAAJC-CHWSQXEVSA-N 1 0 301.228 2.200 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCCCO1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000134528994 196399107 /nfs/dbraw/zinc/39/91/07/196399107.db2.gz ORMWFOYCAJMSBC-CBBWQLFWSA-N 1 0 303.468 2.137 10 0 DEAERO CCC[C@@H]([NH3+])CNS(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000134642234 196409442 /nfs/dbraw/zinc/40/94/42/196409442.db2.gz RIJPRSRHKAPDLM-SNVBAGLBSA-N 1 0 324.368 2.420 10 0 DEAERO COc1cc([C@@H](O)[C@H]([NH3+])C(C)C)cc(Br)c1O ZINC000134815948 196421317 /nfs/dbraw/zinc/42/13/17/196421317.db2.gz YZOGWEWYEWMYGJ-GHMZBOCLSA-N 1 0 304.184 2.180 10 0 DEAERO C[NH2+][C@@H]1CSC[C@@H]1c1nc([C@@H]2Cc3ccccc3O2)no1 ZINC000134848301 196423517 /nfs/dbraw/zinc/42/35/17/196423517.db2.gz WIGCAOFWCCJLAM-LOWVWBTDSA-N 1 0 303.387 2.164 10 0 DEAERO COc1cc(Br)ccc1C(=O)N[C@H]1CCC[C@@H]1[NH3+] ZINC000135303191 196461850 /nfs/dbraw/zinc/46/18/50/196461850.db2.gz SPCFLDKLNYVFNR-QWRGUYRKSA-N 1 0 313.195 2.067 10 0 DEAERO CCCn1cc(S(=O)(=O)N2[C@@H](C)CC[C@@H]2CC)cc1C[NH3+] ZINC000136754137 196551188 /nfs/dbraw/zinc/55/11/88/196551188.db2.gz IAWLQTGSCMMYQV-STQMWFEESA-N 1 0 313.467 2.308 10 0 DEAERO Cc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000191859673 225117801 /nfs/dbraw/zinc/11/78/01/225117801.db2.gz RYAPNFJFTGBKAC-ZDUSSCGKSA-N 1 0 310.825 2.225 10 0 DEAERO CCn1cncc1C[NH2+]C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000417970104 229165858 /nfs/dbraw/zinc/16/58/58/229165858.db2.gz QHQSJESPGDDNAR-UHFFFAOYSA-N 1 0 314.437 2.068 10 0 DEAERO Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917527 424808377 /nfs/dbraw/zinc/80/83/77/424808377.db2.gz ZBJONLVIMAGEHZ-HOCLYGCPSA-N 1 0 308.447 2.148 10 0 DEAERO C[NH+]1CCC(CNC(=O)NC[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000111857243 424852087 /nfs/dbraw/zinc/85/20/87/424852087.db2.gz PZGYSVTYZQLRGI-IAGOWNOFSA-N 1 0 301.434 2.431 10 0 DEAERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)cc1 ZINC000193745018 424871618 /nfs/dbraw/zinc/87/16/18/424871618.db2.gz SLGAZABTRTTXDF-UONOGXRCSA-N 1 0 319.449 2.054 10 0 DEAERO O=C(NCc1nccs1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194542064 424877206 /nfs/dbraw/zinc/87/72/06/424877206.db2.gz AJJHRUPNQZLYNR-UHFFFAOYSA-N 1 0 308.451 2.161 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N3CCC(C)=N3)cc2)C1 ZINC000194659432 424878048 /nfs/dbraw/zinc/87/80/48/424878048.db2.gz VTDLPYNKAQMTFY-MRXNPFEDSA-N 1 0 314.433 2.487 10 0 DEAERO c1coc(-c2noc(CN3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000386969318 424912696 /nfs/dbraw/zinc/91/26/96/424912696.db2.gz XXXQQOPMIZSRTP-CHWSQXEVSA-N 1 0 302.378 2.294 10 0 DEAERO C[C@@H](CNC(=O)c1nscc1Br)[N@H+](C)C1CC1 ZINC000404875339 424929657 /nfs/dbraw/zinc/92/96/57/424929657.db2.gz WHILBNYMFVRTSO-ZETCQYMHSA-N 1 0 318.240 2.118 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2nscc2Br)CC[N@@H+]1C ZINC000404941996 424930918 /nfs/dbraw/zinc/93/09/18/424930918.db2.gz MILOHDNXHOXTQR-HTQZYQBOSA-N 1 0 318.240 2.118 10 0 DEAERO CC[C@H](C)n1nc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1C ZINC000408113242 424933404 /nfs/dbraw/zinc/93/34/04/424933404.db2.gz UKMHVDGNEANNAF-NWANDNLSSA-N 1 0 319.453 2.863 10 0 DEAERO CC(C)(C)OC(=O)N1CC2(C1)CN(Cc1ccccc1)C[C@@H]2[NH3+] ZINC000409434031 424934565 /nfs/dbraw/zinc/93/45/65/424934565.db2.gz VDGCJDWEKTVRMG-HNNXBMFYSA-N 1 0 317.433 2.067 10 0 DEAERO CCC(C)(C)NC(=O)[C@@H](C)N1CC[S@](=O)C(CC)(CC)C1 ZINC000249009079 424887134 /nfs/dbraw/zinc/88/71/34/424887134.db2.gz OGYDMTCEYUFSOS-ASSNKEHSSA-N 1 0 316.511 2.303 10 0 DEAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]C[C@H](O)CC(F)(F)F ZINC000307947780 424893303 /nfs/dbraw/zinc/89/33/03/424893303.db2.gz OKBFNDLPNQVBLF-GXTWGEPZSA-N 1 0 304.356 2.410 10 0 DEAERO c1ccc(COc2ccnc(NCCC[NH+]3CCCC3)n2)cc1 ZINC000340569721 424948583 /nfs/dbraw/zinc/94/85/83/424948583.db2.gz LNCGZAGIKCRBIE-UHFFFAOYSA-N 1 0 312.417 2.953 10 0 DEAERO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000576645830 424950206 /nfs/dbraw/zinc/95/02/06/424950206.db2.gz YKQRJUDOUILGKM-CYBMUJFWSA-N 1 0 305.422 2.608 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC000190669757 267710283 /nfs/dbraw/zinc/71/02/83/267710283.db2.gz UNBWRPPLOPNEGI-HOCLYGCPSA-N 1 0 311.470 2.175 10 0 DEAERO CC(=O)N(c1ccc(NC(=O)N2CC[NH2+]C[C@@H]2C)cc1)C1CC1 ZINC000333095410 268884116 /nfs/dbraw/zinc/88/41/16/268884116.db2.gz ABXPIMLLEBUYGV-LBPRGKRZSA-N 1 0 316.405 2.028 10 0 DEAERO O=C(Nc1ccc(-c2ncco2)cc1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333098467 268885075 /nfs/dbraw/zinc/88/50/75/268885075.db2.gz BZYMFSCRHZWGFP-ZIAGYGMSSA-N 1 0 312.373 2.415 10 0 DEAERO Cc1ncc(NC(=O)N2CC[NH+](CC3CC3)CC2)c(C2CC2)n1 ZINC000333270544 268916152 /nfs/dbraw/zinc/91/61/52/268916152.db2.gz HBRSFIAFZKKSJC-UHFFFAOYSA-N 1 0 315.421 2.222 10 0 DEAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC000333306107 268923266 /nfs/dbraw/zinc/92/32/66/268923266.db2.gz NDIMDWRQPMMJHY-RYUDHWBXSA-N 1 0 304.419 2.351 10 0 DEAERO O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333447565 268948053 /nfs/dbraw/zinc/94/80/53/268948053.db2.gz WZDSMTXQMKIDGJ-MAUKXSAKSA-N 1 0 315.417 2.295 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000333698701 268979209 /nfs/dbraw/zinc/97/92/09/268979209.db2.gz DCPRUTMDDPMIHP-QCQGSNGOSA-N 1 0 305.397 2.369 10 0 DEAERO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000333894223 269001657 /nfs/dbraw/zinc/00/16/57/269001657.db2.gz HOJHJUWZTUZGAP-JYJNAYRXSA-N 1 0 309.417 2.329 10 0 DEAERO c1ncn(-c2ccc(C[NH2+]C[C@H]3COC4(CCCC4)O3)cc2)n1 ZINC000360059863 269047876 /nfs/dbraw/zinc/04/78/76/269047876.db2.gz QSHAHSCJWGQPNJ-INIZCTEOSA-N 1 0 314.389 2.043 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(C)s1 ZINC000397289548 269105652 /nfs/dbraw/zinc/10/56/52/269105652.db2.gz WIBZGGNAQVIGKT-CWSCBRNRSA-N 1 0 316.492 2.359 10 0 DEAERO CC(=O)c1cccc(CNC(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000515498715 269351271 /nfs/dbraw/zinc/35/12/71/269351271.db2.gz JAOYSTCXZOYTGM-UHFFFAOYSA-N 1 0 311.385 2.427 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1cnn(C)c1 ZINC000517162321 269378722 /nfs/dbraw/zinc/37/87/22/269378722.db2.gz HFMCRUKMJVJBII-IHWZXDPASA-N 1 0 316.449 2.156 10 0 DEAERO CCCN(CCC)S(=O)(=O)NCCC1CC[NH+](CC)CC1 ZINC000525185641 269480974 /nfs/dbraw/zinc/48/09/74/269480974.db2.gz BBYAGCIPRLDERB-UHFFFAOYSA-N 1 0 319.515 2.065 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000173522086 273792214 /nfs/dbraw/zinc/79/22/14/273792214.db2.gz LJJVBDZXRVZNPV-UHFFFAOYSA-N 1 0 315.461 2.208 10 0 DEAERO C[C@@H]1Cc2ccccc2N1C(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000262409417 274413931 /nfs/dbraw/zinc/41/39/31/274413931.db2.gz CZPRVFRSSBRXRU-IIAWOOMASA-N 1 0 301.434 2.023 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)c1noc2c1CCCC2 ZINC000261786239 274945713 /nfs/dbraw/zinc/94/57/13/274945713.db2.gz TVNHBGXXYVLOLD-UHFFFAOYSA-N 1 0 313.401 2.197 10 0 DEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000262556696 275814873 /nfs/dbraw/zinc/81/48/73/275814873.db2.gz UHSNTIAJXIUCCC-MRXNPFEDSA-N 1 0 301.434 2.113 10 0 DEAERO CC1(C)C[C@@H](NC(=O)C2([NH3+])CCOCC2)c2ccc(F)cc2O1 ZINC000261673282 275856780 /nfs/dbraw/zinc/85/67/80/275856780.db2.gz CBZPVKVDUXLMRA-CYBMUJFWSA-N 1 0 322.380 2.052 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2c(s1)CCOC2 ZINC000176992385 276181630 /nfs/dbraw/zinc/18/16/30/276181630.db2.gz VINIAASVDMIWKK-ZDUSSCGKSA-N 1 0 308.447 2.377 10 0 DEAERO CC1CC[NH+](C2(CN)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000058041184 276194821 /nfs/dbraw/zinc/19/48/21/276194821.db2.gz OBESWPMUPZITSS-UHFFFAOYSA-N 1 0 311.470 2.447 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000048134747 276335965 /nfs/dbraw/zinc/33/59/65/276335965.db2.gz XZNNRZKZZOTVDJ-ZDUSSCGKSA-N 1 0 316.409 2.119 10 0 DEAERO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000408379529 276367130 /nfs/dbraw/zinc/36/71/30/276367130.db2.gz LPQAFSYUQQHDNG-JKSUJKDBSA-N 1 0 319.453 2.104 10 0 DEAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000180501500 277119818 /nfs/dbraw/zinc/11/98/18/277119818.db2.gz VBIXOPLPPBTYAT-FUHWJXTLSA-N 1 0 316.445 2.309 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCOCC[C@H]2C)C1 ZINC000378466649 277395590 /nfs/dbraw/zinc/39/55/90/277395590.db2.gz LLVMXWLFXXEDFG-HZPDHXFCSA-N 1 0 311.470 2.175 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000170896334 277435480 /nfs/dbraw/zinc/43/54/80/277435480.db2.gz ZVTROSOTPRFTIW-HOTGVXAUSA-N 1 0 321.469 2.243 10 0 DEAERO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000449151685 277775166 /nfs/dbraw/zinc/77/51/66/277775166.db2.gz YDYBCYRYLXBUTR-NUJGCVRESA-N 1 0 321.509 2.345 10 0 DEAERO CS(=O)(=O)c1ccccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301346247 278121262 /nfs/dbraw/zinc/12/12/62/278121262.db2.gz HIZIINACEOFRFG-UHFFFAOYSA-N 1 0 322.474 2.402 10 0 DEAERO CS[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000245591612 278144572 /nfs/dbraw/zinc/14/45/72/278144572.db2.gz BCOJUQCAVQUJSD-RRFJBIMHSA-N 1 0 309.479 2.316 10 0 DEAERO CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000094325206 278206953 /nfs/dbraw/zinc/20/69/53/278206953.db2.gz AXIYEVFTKLLFEL-KGLIPLIRSA-N 1 0 302.484 2.216 10 0 DEAERO CC1(C)CN(C(=O)c2cccc(N3CCCC3=O)c2)CC[C@H]1[NH3+] ZINC000261792517 278324361 /nfs/dbraw/zinc/32/43/61/278324361.db2.gz IJCNIVRHOVADGU-OAHLLOKOSA-N 1 0 315.417 2.013 10 0 DEAERO CC1(C)C[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)C(C)(C)O1 ZINC000367247516 278388631 /nfs/dbraw/zinc/38/86/31/278388631.db2.gz WEZORAVWJOLEFB-KKUMJFAQSA-N 1 0 311.466 2.490 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccncc1Br ZINC000154631153 279160370 /nfs/dbraw/zinc/16/03/70/279160370.db2.gz IOEGELOMLMLJAE-SNVBAGLBSA-N 1 0 314.227 2.304 10 0 DEAERO C[C@H](C(=O)N[C@H]1CCc2cc(Br)ccc21)C1C[NH2+]C1 ZINC000262353170 279234219 /nfs/dbraw/zinc/23/42/19/279234219.db2.gz GOLQPQODOYHHJT-XPTSAGLGSA-N 1 0 323.234 2.408 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc2ccccc21 ZINC000123936595 279641421 /nfs/dbraw/zinc/64/14/21/279641421.db2.gz IEGMFOFCORUZGU-ZFWWWQNUSA-N 1 0 304.415 2.246 10 0 DEAERO CC[C@@H](C)[NH+]1CCN(C(=O)CC2(CC(=O)OC)CCCC2)CC1 ZINC000456533780 280104481 /nfs/dbraw/zinc/10/44/81/280104481.db2.gz RSIHIBXYEOKBJZ-OAHLLOKOSA-N 1 0 324.465 2.443 10 0 DEAERO Cc1c(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)cnn1C ZINC000162867518 280226852 /nfs/dbraw/zinc/22/68/52/280226852.db2.gz AANCFGZDSANDSV-AWEZNQCLSA-N 1 0 308.426 2.121 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000246532657 281196642 /nfs/dbraw/zinc/19/66/42/281196642.db2.gz IXMPLQNRYLZPJO-ALILYOIUSA-N 1 0 318.461 2.467 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(C)nc1C(C)(C)C ZINC000092472524 288305079 /nfs/dbraw/zinc/30/50/79/288305079.db2.gz BFKMRVNXJPJNGD-CHWSQXEVSA-N 1 0 304.438 2.026 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCOc1ccccc1 ZINC000079200551 281587772 /nfs/dbraw/zinc/58/77/72/281587772.db2.gz OEINJZUAPNRGKF-OAHLLOKOSA-N 1 0 307.438 2.341 10 0 DEAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122668439 289081464 /nfs/dbraw/zinc/08/14/64/289081464.db2.gz BOHJAVLQDGOKHA-WBOJAVRRSA-N 1 0 302.418 2.492 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)C1 ZINC000245998683 289313254 /nfs/dbraw/zinc/31/32/54/289313254.db2.gz DNVDNHDWFPVRNK-BRWVUGGUSA-N 1 0 317.433 2.252 10 0 DEAERO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107523060 290175619 /nfs/dbraw/zinc/17/56/19/290175619.db2.gz WYHNUWMRRFBYLO-ULQDDVLXSA-N 1 0 324.465 2.047 10 0 DEAERO CNC(=O)[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000183603708 290543071 /nfs/dbraw/zinc/54/30/71/290543071.db2.gz RYFVBDPHOYQOMI-RUXDESIVSA-N 1 0 312.454 2.247 10 0 DEAERO COc1ccccc1C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)C(C)C ZINC000152489359 295366195 /nfs/dbraw/zinc/36/61/95/295366195.db2.gz AGOIDRAWWODLBB-HOTGVXAUSA-N 1 0 304.434 2.473 10 0 DEAERO C[C@H]1CCOCCN1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000373215585 300005612 /nfs/dbraw/zinc/00/56/12/300005612.db2.gz JNQRBYMDBZLIFO-BBRMVZONSA-N 1 0 323.412 2.249 10 0 DEAERO NC(=O)N1CCC([NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000179960212 303262892 /nfs/dbraw/zinc/26/28/92/303262892.db2.gz ORJWHADKYLUWDH-AWEZNQCLSA-N 1 0 307.369 2.172 10 0 DEAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2nncs2)c1 ZINC000171446107 325721365 /nfs/dbraw/zinc/72/13/65/325721365.db2.gz WUVCZJHPOVJUTP-UHFFFAOYSA-N 1 0 319.434 2.442 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccccc1Oc1cnn(C)c1 ZINC000573222718 326035470 /nfs/dbraw/zinc/03/54/70/326035470.db2.gz XNZGORIKZDLWGY-UHFFFAOYSA-N 1 0 316.405 2.236 10 0 DEAERO O=C(CC[NH2+]Cc1ccc(-c2cc[nH]n2)o1)Nc1ccccn1 ZINC000576572399 326303236 /nfs/dbraw/zinc/30/32/36/326303236.db2.gz CMNNEKKJEPXRJS-UHFFFAOYSA-N 1 0 311.345 2.183 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)NCc1c(F)cc(F)c(F)c1F ZINC000576688257 326311609 /nfs/dbraw/zinc/31/16/09/326311609.db2.gz ISYQTDRAZGFZBX-UHFFFAOYSA-N 1 0 321.318 2.336 10 0 DEAERO COC[C@@H](C)C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000187265940 332964836 /nfs/dbraw/zinc/96/48/36/332964836.db2.gz JZOWOSZIQJSIQM-LBPRGKRZSA-N 1 0 306.435 2.096 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(OC(C)C)n1 ZINC000179144522 333147038 /nfs/dbraw/zinc/14/70/38/333147038.db2.gz QBQHHYRFRHDBFZ-CQSZACIVSA-N 1 0 305.422 2.425 10 0 DEAERO COCC(COC)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000388465357 333311808 /nfs/dbraw/zinc/31/18/08/333311808.db2.gz ITGMUXZLHFBJCB-UHFFFAOYSA-N 1 0 306.175 2.339 10 0 DEAERO COC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398002295 337303540 /nfs/dbraw/zinc/30/35/40/337303540.db2.gz XAAWODNGUAZXMI-ZBFHGGJFSA-N 1 0 304.434 2.438 10 0 DEAERO c1cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)nc2c1CCC2 ZINC000584396363 337317382 /nfs/dbraw/zinc/31/73/82/337317382.db2.gz ZATPXKFRUYDJNI-SFHVURJKSA-N 1 0 315.461 2.257 10 0 DEAERO Fc1cncc(-c2c[nH]c3ncc(NC4CC[NH2+]CC4)nc23)c1 ZINC000584638786 337379621 /nfs/dbraw/zinc/37/96/21/337379621.db2.gz JHCRXEAUZGCXBA-UHFFFAOYSA-N 1 0 312.352 2.323 10 0 DEAERO C[NH+](C)[C@H]1CC[C@H](Nc2ncnc3ccc(CCO)cc32)CC1 ZINC000584639828 337379880 /nfs/dbraw/zinc/37/98/80/337379880.db2.gz COCIRILXULQOHP-SHTZXODSSA-N 1 0 314.433 2.449 10 0 DEAERO C[C@H]1CCCN(c2cc(NC[C@H]3CCC[N@H+](C)C3)ncn2)C1 ZINC000302004848 534177977 /nfs/dbraw/zinc/17/79/77/534177977.db2.gz ZNSPPTLSUMRVSV-LSDHHAIUSA-N 1 0 303.454 2.467 10 0 DEAERO C[C@@H]1CCCC[C@H]1CNS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000042869229 518179216 /nfs/dbraw/zinc/17/92/16/518179216.db2.gz GIRHUJHOHNJJGI-ILXRZTDVSA-N 1 0 302.484 2.264 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000158864428 518451522 /nfs/dbraw/zinc/45/15/22/518451522.db2.gz YBUSDHHVQCZTEV-DYVFJYSZSA-N 1 0 318.417 2.113 10 0 DEAERO CC(=O)c1cccc(O[C@H](C)C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c1 ZINC000155723687 518456707 /nfs/dbraw/zinc/45/67/07/518456707.db2.gz FLMCHRIXMNRQGF-UMVBOHGHSA-N 1 0 318.417 2.208 10 0 DEAERO CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000249659205 519632900 /nfs/dbraw/zinc/63/29/00/519632900.db2.gz VXDZSSPXUOUFOE-HUUCEWRRSA-N 1 0 304.438 2.060 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCOc2ccccc2)C1 ZINC000156162551 519692419 /nfs/dbraw/zinc/69/24/19/519692419.db2.gz MYTRZYWXIWOSSK-ZBFHGGJFSA-N 1 0 305.422 2.093 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2nc(CC(C)C)no2)C[C@@H]1CC ZINC000106117533 519920992 /nfs/dbraw/zinc/92/09/92/519920992.db2.gz PVLILSKNEHVTNZ-HNNXBMFYSA-N 1 0 324.469 2.201 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2nc(C(C)(C)C)no2)C[C@H]1CC ZINC000106117149 519921211 /nfs/dbraw/zinc/92/12/11/519921211.db2.gz SLVHHBBIXRPNQU-CQSZACIVSA-N 1 0 324.469 2.300 10 0 DEAERO CCC[C@@H](C(=O)N1CCN([C@@H](C)c2cccnc2)CC1)[NH+](C)C ZINC000162156419 520581006 /nfs/dbraw/zinc/58/10/06/520581006.db2.gz UCITVWDUHGQWDL-RDJZCZTQSA-N 1 0 318.465 2.017 10 0 DEAERO CCCCc1nc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cs1 ZINC000106097785 521298727 /nfs/dbraw/zinc/29/87/27/521298727.db2.gz OKBZEEXOWDZUAC-ZIAGYGMSSA-N 1 0 311.495 2.373 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)NCCOc1ccc(F)cc1F ZINC000106776046 521598818 /nfs/dbraw/zinc/59/88/18/521598818.db2.gz PEVKCOBOSUULGH-AWEZNQCLSA-N 1 0 312.360 2.334 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)Cc2ccc(O)cc2)C1 ZINC000249799300 521646052 /nfs/dbraw/zinc/64/60/52/521646052.db2.gz YLDYNTCSGPOCDP-HIFRSBDPSA-N 1 0 305.422 2.107 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2nnc(C(C)C)o2)[C@@H](C)C1 ZINC000245422496 521718086 /nfs/dbraw/zinc/71/80/86/521718086.db2.gz AAJJFVYTZDXDBD-KBPBESRZSA-N 1 0 322.453 2.314 10 0 DEAERO CC[C@@H](C(=O)N(C)Cc1cnn(-c2ccccc2)c1)[NH+](C)C ZINC000124602785 521804520 /nfs/dbraw/zinc/80/45/20/521804520.db2.gz WLXNKXKBSGSZNB-INIZCTEOSA-N 1 0 300.406 2.171 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCc2n[nH]cc21)c1cccs1 ZINC000131652409 522019493 /nfs/dbraw/zinc/01/94/93/522019493.db2.gz TUNVYJPKDQSQOX-RISCZKNCSA-N 1 0 318.446 2.310 10 0 DEAERO COCc1ccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000157259798 522983152 /nfs/dbraw/zinc/98/31/52/522983152.db2.gz XMUGFHQTZIXQBF-PBHICJAKSA-N 1 0 319.449 2.361 10 0 DEAERO CC(=O)Nc1cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)ccc1F ZINC000190748253 534682007 /nfs/dbraw/zinc/68/20/07/534682007.db2.gz VCSPDIQGAVXVPX-ZDUSSCGKSA-N 1 0 319.380 2.141 10 0 DEAERO COCCCOc1cccc(CN2CC[NH+](C3CC3)CC2)c1 ZINC000127958024 523417346 /nfs/dbraw/zinc/41/73/46/523417346.db2.gz YEUHNRVOIWZBJP-UHFFFAOYSA-N 1 0 304.434 2.382 10 0 DEAERO COCCOc1ccccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158856326 524058603 /nfs/dbraw/zinc/05/86/03/524058603.db2.gz ZUUKDZLHFIZVEF-HOCLYGCPSA-N 1 0 320.433 2.170 10 0 DEAERO Cc1ccc(C)c(OC[C@H](O)C[NH+]2[C@H](C)CC(O)C[C@H]2C)c1 ZINC000248841833 524182218 /nfs/dbraw/zinc/18/22/18/524182218.db2.gz QBACXPRUQIYJII-BFYDXBDKSA-N 1 0 307.434 2.277 10 0 DEAERO Cc1cc(C)nc(SCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000127486539 524594356 /nfs/dbraw/zinc/59/43/56/524594356.db2.gz KUPMYDKCWFFASV-ZIAGYGMSSA-N 1 0 322.478 2.127 10 0 DEAERO COc1ccccc1NCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127556872 524634009 /nfs/dbraw/zinc/63/40/09/524634009.db2.gz IYFWGXPYUGFDKU-ZIAGYGMSSA-N 1 0 305.422 2.048 10 0 DEAERO Cc1ccc(OC[C@H](O)C[NH+]2[C@H](C)CC(O)C[C@H]2C)c(C)c1 ZINC000248841282 525437992 /nfs/dbraw/zinc/43/79/92/525437992.db2.gz PTGMPQZQWSWRGE-BFYDXBDKSA-N 1 0 307.434 2.277 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)Nc2ccn(CC[NH+](C)C)n2)o1 ZINC000156216820 525709356 /nfs/dbraw/zinc/70/93/56/525709356.db2.gz NXWLRXGQUPSFHT-GFCCVEGCSA-N 1 0 305.382 2.229 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000261839445 534892439 /nfs/dbraw/zinc/89/24/39/534892439.db2.gz IQBSRQOXPYOZKF-RVKKMQEKSA-N 1 0 316.401 2.360 10 0 DEAERO C[C@H](CC(=O)NC1CC[NH+](C(C)(C)C)CC1)N1CCCCC1=O ZINC000189184259 526235732 /nfs/dbraw/zinc/23/57/32/526235732.db2.gz JHNXAUGPBIVUFV-CQSZACIVSA-N 1 0 323.481 2.157 10 0 DEAERO C[NH2+]C1CCN(Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000261751929 536440447 /nfs/dbraw/zinc/44/04/47/536440447.db2.gz TYRFXZQCTNRWGQ-UHFFFAOYSA-N 1 0 300.349 2.480 10 0 DEAERO CC(=O)CN(CC(C)C)C(=O)c1ccccc1OCC[NH+](C)C ZINC000421886433 526435306 /nfs/dbraw/zinc/43/53/06/526435306.db2.gz IRWDZMJIHNPXBP-UHFFFAOYSA-N 1 0 320.433 2.314 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000330952451 526479296 /nfs/dbraw/zinc/47/92/96/526479296.db2.gz FJPQCWIKAYVDNU-CHWSQXEVSA-N 1 0 303.406 2.481 10 0 DEAERO CC(=O)[C@@](C)(O)C[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000331313854 527136244 /nfs/dbraw/zinc/13/62/44/527136244.db2.gz IHPRTXJVAWVETO-SFHVURJKSA-N 1 0 303.402 2.230 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000330818206 527137330 /nfs/dbraw/zinc/13/73/30/527137330.db2.gz CVJBXGQISMUPCI-PBHICJAKSA-N 1 0 307.365 2.060 10 0 DEAERO CC(=O)c1cc(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1F ZINC000415724175 527214816 /nfs/dbraw/zinc/21/48/16/527214816.db2.gz NHHWVBBVLNCWST-QLJPJBMISA-N 1 0 307.369 2.477 10 0 DEAERO CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000192624748 527409575 /nfs/dbraw/zinc/40/95/75/527409575.db2.gz JTTMHOXHQCGRHH-CABCVRRESA-N 1 0 302.484 2.383 10 0 DEAERO OCCCC[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000105917379 527537852 /nfs/dbraw/zinc/53/78/52/527537852.db2.gz VRKKGCKIRZYDSC-UHFFFAOYSA-N 1 0 315.417 2.232 10 0 DEAERO CCNC(=O)N1CC[C@H]([NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443985632 528156216 /nfs/dbraw/zinc/15/62/16/528156216.db2.gz GXVHYDVJHLUCBD-QMMMGPOBSA-N 1 0 322.356 2.055 10 0 DEAERO CCC[NH+]1CCC(Nc2nccn3c2nnc3C2CC2)CC1 ZINC000302213390 528206538 /nfs/dbraw/zinc/20/65/38/528206538.db2.gz NMSJVXJSJKLGBX-UHFFFAOYSA-N 1 0 300.410 2.288 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)CCc1cccs1 ZINC000195411828 528292301 /nfs/dbraw/zinc/29/23/01/528292301.db2.gz XHOJJGWPDQDJCE-ZDUSSCGKSA-N 1 0 318.508 2.186 10 0 DEAERO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000329015998 528681784 /nfs/dbraw/zinc/68/17/84/528681784.db2.gz KCCWMECKHVHEQH-ATNYBXOESA-N 1 0 318.465 2.496 10 0 DEAERO CC(C)Cc1nsc(N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000302313851 528686371 /nfs/dbraw/zinc/68/63/71/528686371.db2.gz UGQHOGUHNGPONL-UHFFFAOYSA-N 1 0 310.467 2.038 10 0 DEAERO CCN(C(=O)[C@@H](C)N1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422625430 529035344 /nfs/dbraw/zinc/03/53/44/529035344.db2.gz BOBQFSXFNWFDKV-OAHLLOKOSA-N 1 0 301.434 2.256 10 0 DEAERO CC[N@@H+]1CCC[C@@H](CN(C)Cc2cc[nH]n2)[C@@H]1c1cnn(C)c1 ZINC000328655199 529045929 /nfs/dbraw/zinc/04/59/29/529045929.db2.gz YDBPWGUREDDMAS-WMLDXEAASA-N 1 0 316.453 2.048 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000261865403 534931412 /nfs/dbraw/zinc/93/14/12/534931412.db2.gz RRBISDIGOSDKQM-UHFFFAOYSA-N 1 0 308.426 2.286 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCc2ccc(F)cc21 ZINC000261964701 535042595 /nfs/dbraw/zinc/04/25/95/535042595.db2.gz YEVDXIJEDYLJIU-JCKWVBRZSA-N 1 0 318.392 2.247 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)NC(C)(C)C[NH3+])cc1 ZINC000262509816 535256302 /nfs/dbraw/zinc/25/63/02/535256302.db2.gz MVMQGRLVROXYOY-UHFFFAOYSA-N 1 0 306.406 2.292 10 0 DEAERO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOCC3)n2)CCO1 ZINC000359101409 535269751 /nfs/dbraw/zinc/26/97/51/535269751.db2.gz IDNGALDXFPBPNC-RDJZCZTQSA-N 1 0 319.449 2.211 10 0 DEAERO CC(C)[C@]1(CO)CC[N@H+](Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000377657199 535310719 /nfs/dbraw/zinc/31/07/19/535310719.db2.gz UFSYZAACVIFNJG-GOSISDBHSA-N 1 0 304.434 2.229 10 0 DEAERO CC1(C)CN(CC(=O)NCc2ccc(Cl)s2)CC[C@@H]1[NH3+] ZINC000261647655 535352752 /nfs/dbraw/zinc/35/27/52/535352752.db2.gz GZQBZFBUCPARSP-NSHDSACASA-N 1 0 315.870 2.077 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000371774651 535448980 /nfs/dbraw/zinc/44/89/80/535448980.db2.gz RQKYQBFMKOQEFE-FUHWJXTLSA-N 1 0 323.481 2.365 10 0 DEAERO CCN(CC)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000193438096 535457245 /nfs/dbraw/zinc/45/72/45/535457245.db2.gz JKDUZSJGQNHYBV-SWLSCSKDSA-N 1 0 311.376 2.462 10 0 DEAERO CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262274563 535507899 /nfs/dbraw/zinc/50/78/99/535507899.db2.gz NHVMTWCTXAWMDF-MXASKKJJSA-N 1 0 318.465 2.150 10 0 DEAERO CCCc1noc(CCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000247539672 535555746 /nfs/dbraw/zinc/55/57/46/535555746.db2.gz XXHGZJUEKZMGFN-UONOGXRCSA-N 1 0 322.453 2.286 10 0 DEAERO CCC[C@H](C(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1)[NH+](C)C ZINC000249527749 535581080 /nfs/dbraw/zinc/58/10/80/535581080.db2.gz ZEQBVCSXCAYLPD-RRFJBIMHSA-N 1 0 310.463 2.013 10 0 DEAERO CC[NH+]1CCN(CCCNc2nc(CC(C)C)ns2)CC1 ZINC000185176875 535698966 /nfs/dbraw/zinc/69/89/66/535698966.db2.gz GKXCBLDRJBEUQE-UHFFFAOYSA-N 1 0 311.499 2.176 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(-c2nnc(C)n2C)c1 ZINC000262509868 535850412 /nfs/dbraw/zinc/85/04/12/535850412.db2.gz AYOQKCBTAKKJHP-IINYFYTJSA-N 1 0 301.394 2.102 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000246316659 535873461 /nfs/dbraw/zinc/87/34/61/535873461.db2.gz NUXQQRLCTHGBND-QCODTGAPSA-N 1 0 321.465 2.068 10 0 DEAERO CCc1ccccc1OCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247091932 535966160 /nfs/dbraw/zinc/96/61/60/535966160.db2.gz JNIGVYVSAMWDNV-ZBFHGGJFSA-N 1 0 304.434 2.473 10 0 DEAERO CCc1cnc(CCNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)s1 ZINC000262627634 536024583 /nfs/dbraw/zinc/02/45/83/536024583.db2.gz GIBOHSHMZASSGY-HNNXBMFYSA-N 1 0 303.431 2.373 10 0 DEAERO CNC(=O)c1ccc(C[N@H+](C)C[C@@H](O)CC2CCCC2)cc1 ZINC000191267624 536421152 /nfs/dbraw/zinc/42/11/52/536421152.db2.gz XYCAMJNWNVQOLU-KRWDZBQOSA-N 1 0 304.434 2.419 10 0 DEAERO CNC(=O)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000247794812 536424174 /nfs/dbraw/zinc/42/41/74/536424174.db2.gz ZLXQTFDDLIQUDF-WMLDXEAASA-N 1 0 312.417 2.326 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cncc(Cl)n2)[C@@H]1c1ccccc1 ZINC000192375076 536457799 /nfs/dbraw/zinc/45/77/99/536457799.db2.gz CYUIJAPOPVLYPT-DOMZBBRYSA-N 1 0 316.792 2.305 10 0 DEAERO COc1ccc(/C(C)=C/C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000248610614 536561696 /nfs/dbraw/zinc/56/16/96/536561696.db2.gz KRRVKUQUVCZFJS-VFPJVTBKSA-N 1 0 300.402 2.294 10 0 DEAERO CO[C@H](CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000247376274 536621936 /nfs/dbraw/zinc/62/19/36/536621936.db2.gz PLXLFSIGZSWCEB-HYVNUMGLSA-N 1 0 319.449 2.402 10 0 DEAERO COc1ccc(Br)cc1C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000358102841 536639016 /nfs/dbraw/zinc/63/90/16/536639016.db2.gz WRPPZHVEQMKRMW-ZWNOBZJWSA-N 1 0 313.239 2.497 10 0 DEAERO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000373106195 536796475 /nfs/dbraw/zinc/79/64/75/536796475.db2.gz GKIPEOPJEJQZQO-HNNXBMFYSA-N 1 0 319.401 2.231 10 0 DEAERO O=C(C[NH2+]C1CSC1)Nc1ccc(Br)cc1 ZINC000309543650 625308201 /nfs/dbraw/zinc/30/82/01/625308201.db2.gz HFOYQIDEWCXVKN-UHFFFAOYSA-N 1 0 301.209 2.093 10 0 DEAERO C[C@@]1(C[NH3+])CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000312394619 625394249 /nfs/dbraw/zinc/39/42/49/625394249.db2.gz DCWQXFDSPKWFNL-MRZGDXHCSA-N 1 0 314.838 2.311 10 0 DEAERO CN(C(=O)c1ccnc(Br)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000311802821 625446978 /nfs/dbraw/zinc/44/69/78/625446978.db2.gz ZVGMMHGVQFMBOG-LBPRGKRZSA-N 1 0 324.222 2.010 10 0 DEAERO C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CCCC23OCCO3)([NH+](C)C)C1 ZINC000806546644 622641212 /nfs/dbraw/zinc/64/12/12/622641212.db2.gz UZXDDWQSWUKINZ-HLLBOEOZSA-N 1 0 324.465 2.156 10 0 DEAERO Cc1cc(NCc2cc(Cl)c3c(c2)OCCO3)nc(N)[nH+]1 ZINC000075668203 623014101 /nfs/dbraw/zinc/01/41/01/623014101.db2.gz KYFZPYWINNYMDZ-UHFFFAOYSA-N 1 0 306.753 2.404 10 0 DEAERO COCCO[C@@H]1CCCN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000179354721 625616595 /nfs/dbraw/zinc/61/65/95/625616595.db2.gz DBBOLRVWQWFJTI-CJNGLKHVSA-N 1 0 315.360 2.126 10 0 DEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(Br)cs1 ZINC000757190352 623237929 /nfs/dbraw/zinc/23/79/29/623237929.db2.gz RFNXYBVBBMCRTL-DTWKUNHWSA-N 1 0 304.209 2.377 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000307866497 624082972 /nfs/dbraw/zinc/08/29/72/624082972.db2.gz JOMILZBATLNLGE-LBPRGKRZSA-N 1 0 302.827 2.067 10 0 DEAERO CCC[N@H+](CC)Cc1ccc(C(=O)NCC[S@@](=O)CC)cc1 ZINC000733965350 633305790 /nfs/dbraw/zinc/30/57/90/633305790.db2.gz YGCMTJCYPKCKJT-QFIPXVFZSA-N 1 0 324.490 2.417 10 0 DEAERO CN1CCC[C@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299991734 633309696 /nfs/dbraw/zinc/30/96/96/633309696.db2.gz VKWYYCMZLKZFEA-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO Cc1noc(C)c1CN1CCOC[C@H](Oc2cccc(C)n2)C1 ZINC000077265596 633793880 /nfs/dbraw/zinc/79/38/80/633793880.db2.gz KVRVJDXMHWVHIJ-OAHLLOKOSA-N 1 0 317.389 2.275 10 0 DEAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000178518706 635160658 /nfs/dbraw/zinc/16/06/58/635160658.db2.gz MDINVPGACXPEBD-WMLDXEAASA-N 1 0 304.434 2.119 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C)c1ccoc1 ZINC000888099437 635547533 /nfs/dbraw/zinc/54/75/33/635547533.db2.gz ZJPUEGOJKHOKKZ-GZBFAFLISA-N 1 0 318.421 2.164 10 0 DEAERO C[C@@H]1C[N@@H+](CCCNC(=O)CSC(C)(C)C)C[C@H](C)O1 ZINC000078604677 635733649 /nfs/dbraw/zinc/73/36/49/635733649.db2.gz CTUPQYSSVMFSEC-BETUJISGSA-N 1 0 302.484 2.134 10 0 DEAERO CC(C)(C)c1csc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000094966265 635922422 /nfs/dbraw/zinc/92/24/22/635922422.db2.gz QLWUDHJFWQTXQP-OLZOCXBDSA-N 1 0 309.479 2.393 10 0 DEAERO COC(=O)CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237143964 636998517 /nfs/dbraw/zinc/99/85/17/636998517.db2.gz CCSPUDSPPWNMOP-ILXRZTDVSA-N 1 0 310.438 2.147 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC000742098454 638035993 /nfs/dbraw/zinc/03/59/93/638035993.db2.gz MSACABBBNLNNFS-UHFFFAOYSA-N 1 0 317.433 2.128 10 0 DEAERO O=C1C[C@@]2(CCSC2)C(=O)N1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000742164778 638040989 /nfs/dbraw/zinc/04/09/89/638040989.db2.gz DRVZWMZRONVACY-QGZVFWFLSA-N 1 0 322.474 2.482 10 0 DEAERO CC[N@H+](C/C=C(\C)C(=O)OC)C[C@@H]1COc2ccccc2O1 ZINC000746500579 638349604 /nfs/dbraw/zinc/34/96/04/638349604.db2.gz XVFIPRQCBYDTMJ-KADHNRKRSA-N 1 0 305.374 2.268 10 0 DEAERO CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000747870021 638486390 /nfs/dbraw/zinc/48/63/90/638486390.db2.gz BVTOXTLOIXYUCE-WIUDPPPLSA-N 1 0 312.435 2.073 10 0 DEAERO COC(=O)/C(C)=C\C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000748815599 638595400 /nfs/dbraw/zinc/59/54/00/638595400.db2.gz CBHRQVOVPIZUPP-OOXMNIKJSA-N 1 0 303.402 2.478 10 0 DEAERO C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccncc1 ZINC000749587976 638661340 /nfs/dbraw/zinc/66/13/40/638661340.db2.gz BXDWQDYDIJYVBP-FVQBIDKESA-N 1 0 304.438 2.357 10 0 DEAERO CC(C)(C)[C@@H](O)C[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000751341617 639073981 /nfs/dbraw/zinc/07/39/81/639073981.db2.gz SNEWVEKUNGULSP-INIZCTEOSA-N 1 0 320.433 2.348 10 0 DEAERO C[C@H](CNC(=O)Nc1ncn(C(C)(C)C)n1)[NH+]1CCCCC1 ZINC000753004386 639246188 /nfs/dbraw/zinc/24/61/88/639246188.db2.gz XYMBJUBCGNXBER-GFCCVEGCSA-N 1 0 308.430 2.029 10 0 DEAERO COc1cc(C[NH2+][C@@H](C)[C@H](C)O)cc(Br)c1O ZINC000342244804 639500602 /nfs/dbraw/zinc/50/06/02/639500602.db2.gz YOMMXKSKSHHBHJ-YUMQZZPRSA-N 1 0 304.184 2.022 10 0 DEAERO CO[C@@H](C)C(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000121833502 640189996 /nfs/dbraw/zinc/18/99/96/640189996.db2.gz TWYOUNNGCGLUCF-AWEZNQCLSA-N 1 0 307.390 2.492 10 0 DEAERO Cc1nonc1COC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000805884967 643713158 /nfs/dbraw/zinc/71/31/58/643713158.db2.gz YCHDUGFUSLOCBS-UHFFFAOYSA-N 1 0 301.346 2.331 10 0 DEAERO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000800973668 645326466 /nfs/dbraw/zinc/32/64/66/645326466.db2.gz PBLQHRGXGJFBHJ-IHRRRGAJSA-N 1 0 300.468 2.296 10 0 DEAERO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCO[C@@H](C(F)F)C1 ZINC000801007400 645329211 /nfs/dbraw/zinc/32/92/11/645329211.db2.gz UTERKNDWAKAHGF-OAHLLOKOSA-N 1 0 324.371 2.389 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC(=O)OC1CCCCC1 ZINC000801146598 645346368 /nfs/dbraw/zinc/34/63/68/645346368.db2.gz JMMSKNHMIFCQBL-OAHLLOKOSA-N 1 0 310.438 2.243 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000803029701 645597844 /nfs/dbraw/zinc/59/78/44/645597844.db2.gz CYUGOPOYABPKMH-CYBMUJFWSA-N 1 0 318.339 2.149 10 0 DEAERO CON(C)C(=O)CC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000806625317 645854539 /nfs/dbraw/zinc/85/45/39/645854539.db2.gz DTDWTSFWIVGWQO-SNVBAGLBSA-N 1 0 302.321 2.349 10 0 DEAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(F)c(Br)c1 ZINC000757184675 645937730 /nfs/dbraw/zinc/93/77/30/645937730.db2.gz MIQIWFAVYKHPIA-BDAKNGLRSA-N 1 0 302.143 2.064 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC000151087945 646260868 /nfs/dbraw/zinc/26/08/68/646260868.db2.gz JBHYJZSNDJDMJC-AFAVFJNCSA-N 1 0 300.402 2.363 10 0 DEAERO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](O)c2ccccc2Cl)C1 ZINC000156567802 646430514 /nfs/dbraw/zinc/43/05/14/646430514.db2.gz LOIXTLZWCDCIFK-BBRMVZONSA-N 1 0 310.825 2.174 10 0 DEAERO Cc1cc2ncn(C[N@@H+]3CC[C@H](N4CCOCC4)C3)c2cc1C ZINC000172959322 646756759 /nfs/dbraw/zinc/75/67/59/646756759.db2.gz SQWLUQNFZDUUIF-INIZCTEOSA-N 1 0 314.433 2.017 10 0 DEAERO COC(=O)[C@@H]1CCC[N@H+](Cn2cnc3cc(F)c(F)cc32)C1 ZINC000151616153 646983694 /nfs/dbraw/zinc/98/36/94/646983694.db2.gz LTPAXDNIJPPPJJ-SNVBAGLBSA-N 1 0 309.316 2.157 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733143496 647891209 /nfs/dbraw/zinc/89/12/09/647891209.db2.gz AVDALZWDVSARDD-LLVKDONJSA-N 1 0 312.845 2.261 10 0 DEAERO CN(C)c1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc(Cl)n1 ZINC000733153437 647892223 /nfs/dbraw/zinc/89/22/23/647892223.db2.gz XFXUKKQEHKWBQX-CYBMUJFWSA-N 1 0 322.840 2.015 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NNc2cc[nH+]cc2)cc1 ZINC000180439909 648490286 /nfs/dbraw/zinc/49/02/86/648490286.db2.gz GDIQULSTKLBXIO-IAQYHMDHSA-N 1 0 310.357 2.433 10 0 DEAERO CNC(=O)[C@@H]([NH2+]Cc1cc(=O)oc2cc(C)c(C)cc12)C(C)C ZINC000183666015 649131707 /nfs/dbraw/zinc/13/17/07/649131707.db2.gz ZIARMCRMTTXAAY-KRWDZBQOSA-N 1 0 316.401 2.270 10 0 DEAERO COC(=O)CCCCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083029928 649640407 /nfs/dbraw/zinc/64/04/07/649640407.db2.gz QLNKOSQBAAKHRW-AWEZNQCLSA-N 1 0 319.405 2.148 10 0 DEAERO COCc1ccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000073190073 649659934 /nfs/dbraw/zinc/65/99/34/649659934.db2.gz RNXGTWATAOUVRP-QGZVFWFLSA-N 1 0 321.417 2.347 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2NC(=O)OC)C1 ZINC000112905167 651606844 /nfs/dbraw/zinc/60/68/44/651606844.db2.gz UKQKWZRKOIGIAH-LBPRGKRZSA-N 1 0 305.378 2.079 10 0 DEAERO C[C@@H]1C[C@H](NS(=O)(=O)/C=C\c2ccc(Cl)cc2)CC[NH2+]1 ZINC000379947560 685394303 /nfs/dbraw/zinc/39/43/03/685394303.db2.gz DSSVABJEDXLQKX-APPRXGMUSA-N 1 0 314.838 2.371 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cncnc2)C1 ZINC000381916820 685402910 /nfs/dbraw/zinc/40/29/10/685402910.db2.gz LWDBDBPFPIATHU-GXTWGEPZSA-N 1 0 306.410 2.260 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1OC ZINC000381438288 685401238 /nfs/dbraw/zinc/40/12/38/685401238.db2.gz DTUIGGXTFFPQGI-RKQHYHRCSA-N 1 0 316.442 2.070 10 0 DEAERO Cc1nnsc1C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000384189313 685410266 /nfs/dbraw/zinc/41/02/66/685410266.db2.gz USGVUGHRPIIBLJ-RKDXNWHRSA-N 1 0 300.428 2.238 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](Cn3cnc4cc(F)c(F)cc43)C2)cn1 ZINC000116257467 684064533 /nfs/dbraw/zinc/06/45/33/684064533.db2.gz LBUJIUZRGGVVSE-LLVKDONJSA-N 1 0 317.343 2.495 10 0 DEAERO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)C[C@H](C)CS(C)(=O)=O ZINC000119488394 684082452 /nfs/dbraw/zinc/08/24/52/684082452.db2.gz FADXLDQSFKHCAI-HOCLYGCPSA-N 1 0 313.463 2.031 10 0 DEAERO C[C@H]1[C@@H](c2ccccc2)CCN1Cn1nc(CO)n(C)c1=S ZINC000120575486 684097597 /nfs/dbraw/zinc/09/75/97/684097597.db2.gz VXHHOPJCIPSQTD-JSGCOSHPSA-N 1 0 318.446 2.279 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000124530304 684135947 /nfs/dbraw/zinc/13/59/47/684135947.db2.gz MGKSCLRMOJLERT-ZBFHGGJFSA-N 1 0 306.431 2.021 10 0 DEAERO COc1ccc([C@@H]([NH2+]C[C@@H]2CCCS2(=O)=O)C2CC2)cc1 ZINC000126844597 684157870 /nfs/dbraw/zinc/15/78/70/684157870.db2.gz JOCDWQPGYIVUEW-HOTGVXAUSA-N 1 0 309.431 2.313 10 0 DEAERO Cn1c2ccccc2n(CN2CC[NH+](C3CC3)CC2)c1=S ZINC000129102220 684176459 /nfs/dbraw/zinc/17/64/59/684176459.db2.gz LSSWLPQRDPOFPW-UHFFFAOYSA-N 1 0 302.447 2.447 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000129695757 684181428 /nfs/dbraw/zinc/18/14/28/684181428.db2.gz UIQGEFRVMQTGDY-SKDRFNHKSA-N 1 0 317.216 2.143 10 0 DEAERO O=C(NC[C@H]1CCC[NH2+]C1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000130065770 684185217 /nfs/dbraw/zinc/18/52/17/684185217.db2.gz HSPGAJKFLNPDFW-LBPRGKRZSA-N 1 0 318.808 2.255 10 0 DEAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187815327 684343857 /nfs/dbraw/zinc/34/38/57/684343857.db2.gz WJBNDPLCVHFGIY-GFCCVEGCSA-N 1 0 322.430 2.283 10 0 DEAERO C/C(=C\C(=O)N1CCN(CCO)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000188694520 684361876 /nfs/dbraw/zinc/36/18/76/684361876.db2.gz PVPPAOBBWWTHSK-UELRPHRMSA-N 1 0 322.836 2.268 10 0 DEAERO CC(=O)c1ccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000193341188 685038213 /nfs/dbraw/zinc/03/82/13/685038213.db2.gz YGKVTBLEGBKSES-QGZVFWFLSA-N 1 0 319.401 2.403 10 0 DEAERO CC1(CNS(=O)(=O)/C=C/c2ccc(F)cc2)CC[NH2+]CC1 ZINC000193376700 685038927 /nfs/dbraw/zinc/03/89/27/685038927.db2.gz NIFUDNLPAPSPHM-IZZDOVSWSA-N 1 0 312.410 2.106 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000193448951 685041263 /nfs/dbraw/zinc/04/12/63/685041263.db2.gz WLMXPNUGJAOBPM-BLLLJJGKSA-N 1 0 306.431 2.034 10 0 DEAERO CC(C)c1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000193733256 685048880 /nfs/dbraw/zinc/04/88/80/685048880.db2.gz JUOJOWLEZYJYBB-UHFFFAOYSA-N 1 0 317.433 2.301 10 0 DEAERO CSc1cc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)ccn1 ZINC000194854266 685079381 /nfs/dbraw/zinc/07/93/81/685079381.db2.gz SXFHREUVYSMYAP-CQSZACIVSA-N 1 0 324.446 2.317 10 0 DEAERO C[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)N1CCc2ccccc21 ZINC000195102041 685088030 /nfs/dbraw/zinc/08/80/30/685088030.db2.gz ODQOYBNDTCBSRK-DOTOQJQBSA-N 1 0 313.445 2.134 10 0 DEAERO C[NH2+]C[C@H]1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000214393640 685104488 /nfs/dbraw/zinc/10/44/88/685104488.db2.gz RSNOPHRAQJUQLT-FNOHHLHBSA-N 1 0 314.838 2.182 10 0 DEAERO [NH3+][C@@H]1CCCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000223564621 685107204 /nfs/dbraw/zinc/10/72/04/685107204.db2.gz OZMUEAQWCUBWDK-FNOHHLHBSA-N 1 0 300.811 2.064 10 0 DEAERO C[C@@H](C[NH3+])CNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000237316749 685107882 /nfs/dbraw/zinc/10/78/82/685107882.db2.gz JJRSHZLEVBLUNS-JTQLQIEISA-N 1 0 313.239 2.438 10 0 DEAERO CCCn1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)cn1 ZINC000246093412 685122746 /nfs/dbraw/zinc/12/27/46/685122746.db2.gz NSUKUYJWFKSSRN-CABCVRRESA-N 1 0 305.426 2.384 10 0 DEAERO CC1CC[NH+](CCN2CCOC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000246436659 685130061 /nfs/dbraw/zinc/13/00/61/685130061.db2.gz BGFWNLMDUJVQGN-IAGOWNOFSA-N 1 0 322.449 2.136 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247059839 685141394 /nfs/dbraw/zinc/14/13/94/685141394.db2.gz WBKHPNKEKBLQBP-OAGGEKHMSA-N 1 0 323.481 2.412 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cn1nc(C(F)F)n(C)c1=S ZINC000248386551 685157559 /nfs/dbraw/zinc/15/75/59/685157559.db2.gz MYRPVCPRLRSOSL-ZJUUUORDSA-N 1 0 317.409 2.015 10 0 DEAERO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000252452072 685193066 /nfs/dbraw/zinc/19/30/66/685193066.db2.gz MSMBBVYGUHLGQM-GDAGCXPBSA-N 1 0 314.838 2.324 10 0 DEAERO O[C@@]1(Cn2ccnn2)CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000886034120 691988991 /nfs/dbraw/zinc/98/89/91/691988991.db2.gz RKNJYOUUXHEGQJ-KRWDZBQOSA-N 1 0 312.373 2.051 10 0 DEAERO O=C1CCN(Cn2nccc2-c2ccc(F)c(Cl)c2)CCN1 ZINC000176483943 782472464 /nfs/dbraw/zinc/47/24/64/782472464.db2.gz NGCWQEDGMYPGJD-UHFFFAOYSA-N 1 0 322.771 2.122 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)c2c(C)sc(C)c2C)CC[C@H]1[NH3+] ZINC000722601879 776578752 /nfs/dbraw/zinc/57/87/52/776578752.db2.gz QUMALCVKJTYONL-CHWSQXEVSA-N 1 0 316.492 2.421 10 0 DEAERO Brc1ccc(-c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)nc1 ZINC000721180055 776970722 /nfs/dbraw/zinc/97/07/22/776970722.db2.gz UGVPZJHQDHJMTB-YWVKMMECSA-N 1 0 321.178 2.217 10 0 DEAERO Cc1cn(C)nc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000723501997 777113757 /nfs/dbraw/zinc/11/37/57/777113757.db2.gz XTDNIIJSTWCLPX-KBPBESRZSA-N 1 0 322.453 2.464 10 0 DEAERO C[C@](O)(C[NH2+]CCCOCC1CC1)C(F)(F)C(F)(F)F ZINC000724037931 777226811 /nfs/dbraw/zinc/22/68/11/777226811.db2.gz WIJGRNJYNMEGDS-JTQLQIEISA-N 1 0 305.287 2.341 10 0 DEAERO CC[C@@H](C)N(C)CC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724041278 777227920 /nfs/dbraw/zinc/22/79/20/777227920.db2.gz NCHYLSSQLOEKCW-ZJUUUORDSA-N 1 0 306.319 2.255 10 0 DEAERO CC[C@]1(O)CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724060307 777233733 /nfs/dbraw/zinc/23/37/33/777233733.db2.gz UMAXAHWFCWJCMQ-ZJUUUORDSA-N 1 0 305.287 2.172 10 0 DEAERO CO[C@]1(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CCSC1 ZINC000724073264 777234930 /nfs/dbraw/zinc/23/49/30/777234930.db2.gz ZTECXBFOUHQBJY-BDAKNGLRSA-N 1 0 323.327 2.047 10 0 DEAERO CC(C)(CO)CCC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724116164 777245134 /nfs/dbraw/zinc/24/51/34/777245134.db2.gz OUTURXVXYPTXSP-JTQLQIEISA-N 1 0 307.303 2.323 10 0 DEAERO CCO[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000701174311 777444391 /nfs/dbraw/zinc/44/43/91/777444391.db2.gz REAITFYYHUCRDM-QQHVKIJGSA-N 1 0 314.838 2.237 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CC23CC(O)C3)CC1 ZINC000724913901 777518706 /nfs/dbraw/zinc/51/87/06/777518706.db2.gz MCLFDYMHZQNMCR-UUCFBXCCSA-N 1 0 310.438 2.137 10 0 DEAERO CC[C@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000722236735 778511429 /nfs/dbraw/zinc/51/14/29/778511429.db2.gz YVFAYDFHTMINJB-KBPBESRZSA-N 1 0 316.854 2.463 10 0 DEAERO CCN(Cc1ccccc1Cl)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000722236761 778511977 /nfs/dbraw/zinc/51/19/77/778511977.db2.gz ZSZQSFMHFIGEBL-ZDUSSCGKSA-N 1 0 316.854 2.244 10 0 DEAERO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000722252263 778551181 /nfs/dbraw/zinc/55/11/81/778551181.db2.gz HFNQQFDPMHYLFQ-HONMWMINSA-N 1 0 313.239 2.022 10 0 DEAERO FC(F)(F)[C@H]1CC[C@H](C[NH2+]C2CCC3(CC2)OCCO3)O1 ZINC000722380100 778679456 /nfs/dbraw/zinc/67/94/56/778679456.db2.gz OMKPJNPCFGFWTM-VXGBXAGGSA-N 1 0 309.328 2.372 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@](C)(C[NH3+])C(C)C)c1C ZINC000722570749 778790653 /nfs/dbraw/zinc/79/06/53/778790653.db2.gz LMCIOVORWDMNSN-ZDUSSCGKSA-N 1 0 304.481 2.325 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000721889555 781574686 /nfs/dbraw/zinc/57/46/86/781574686.db2.gz PTYQIDFJPWTTSA-LLVKDONJSA-N 1 0 323.245 2.270 10 0 DEAERO CCO[C@@H]1CCC[C@@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)C1 ZINC000721231178 784271261 /nfs/dbraw/zinc/27/12/61/784271261.db2.gz PEZOGQLNDLAXDV-ZIAGYGMSSA-N 1 0 303.468 2.139 10 0 DEAERO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)CCO1 ZINC000721809812 787322417 /nfs/dbraw/zinc/32/24/17/787322417.db2.gz GZRKABQIJHBDPA-OLZOCXBDSA-N 1 0 305.484 2.383 10 0 DEAERO O=S(=O)(CCC1CC1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000721867933 787324551 /nfs/dbraw/zinc/32/45/51/787324551.db2.gz VBJLYOBRNOYJLE-AWEZNQCLSA-N 1 0 300.468 2.018 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1C ZINC000722567042 787333357 /nfs/dbraw/zinc/33/33/57/787333357.db2.gz KSUHIUKXYKRNCU-IUCAKERBSA-N 1 0 302.465 2.044 10 0 DEAERO CN1C[C@H](CC[NH2+]Cc2ccc(Br)o2)CC1=O ZINC000723551985 787344319 /nfs/dbraw/zinc/34/43/19/787344319.db2.gz KDZAJOHNLQXUSI-SECBINFHSA-N 1 0 301.184 2.000 10 0 DEAERO CN1C[C@@H](CC[NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1=O ZINC000723581993 787344445 /nfs/dbraw/zinc/34/44/45/787344445.db2.gz MQHSDTPDUJSXBS-ROUUACIJSA-N 1 0 315.461 2.109 10 0 DEAERO CN1C[C@H](CC[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1=O ZINC000723581992 787344498 /nfs/dbraw/zinc/34/44/98/787344498.db2.gz MQHSDTPDUJSXBS-QZTJIDSGSA-N 1 0 315.461 2.109 10 0 DEAERO Brc1ccc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)s1 ZINC000724615117 787351929 /nfs/dbraw/zinc/35/19/29/787351929.db2.gz CTYHQJJSMWPOGM-YWVKMMECSA-N 1 0 318.236 2.404 10 0 DEAERO CC(C)(COCc1ccccc1)[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724636806 787352201 /nfs/dbraw/zinc/35/22/01/787352201.db2.gz QCTJXDBGWYEYDU-YESZJQIVSA-N 1 0 305.418 2.375 10 0 DEAERO CO[C@H]1CCC[C@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000724669299 787352419 /nfs/dbraw/zinc/35/24/19/787352419.db2.gz UIWXFNMZRKCTMI-XQQFMLRXSA-N 1 0 300.399 2.085 10 0 DEAERO Cn1cc(CN2CC[NH2+]Cc3ccccc32)c(Br)n1 ZINC000712424916 792186870 /nfs/dbraw/zinc/18/68/70/792186870.db2.gz ZLHUIKLSLJRNLM-UHFFFAOYSA-N 1 0 321.222 2.292 10 0 DEAERO CC1(C)CC[NH2+]CCN1C(=O)c1nscc1Br ZINC000712534901 792200179 /nfs/dbraw/zinc/20/01/79/792200179.db2.gz JGEWLHASEJYKMI-UHFFFAOYSA-N 1 0 318.240 2.120 10 0 DEAERO CC1(C)CC[NH2+]CCN1C(=O)c1cncc(Br)c1 ZINC000712554252 792200348 /nfs/dbraw/zinc/20/03/48/792200348.db2.gz JNTSMVPJOZPOBG-UHFFFAOYSA-N 1 0 312.211 2.058 10 0 DEAERO [NH3+]C[C@H]1C[C@@H](c2nc(-c3ccccc3Br)no2)CO1 ZINC000714084032 792284807 /nfs/dbraw/zinc/28/48/07/792284807.db2.gz DLAINXPEDWCTQU-RKDXNWHRSA-N 1 0 324.178 2.330 10 0 DEAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000714244859 792304848 /nfs/dbraw/zinc/30/48/48/792304848.db2.gz UBFABRDZRGFNIZ-IHRRRGAJSA-N 1 0 301.452 2.034 10 0 DEAERO CCC1([NH3+])CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000714320695 792308035 /nfs/dbraw/zinc/30/80/35/792308035.db2.gz MBZSHBWEMDYLQU-UHFFFAOYSA-N 1 0 320.817 2.371 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)Nc2ccc(Br)c(F)c2)C1(F)F ZINC000715159123 792397796 /nfs/dbraw/zinc/39/77/96/792397796.db2.gz WJQJHKIWCQRXKL-HZGVNTEJSA-N 1 0 323.112 2.367 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715390084 792448278 /nfs/dbraw/zinc/44/82/78/792448278.db2.gz SCOGBEANVNRCDJ-GXFFZTMASA-N 1 0 314.227 2.230 10 0 DEAERO C[C@@H]([NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1)c1cn(C)nn1 ZINC000715848986 792525910 /nfs/dbraw/zinc/52/59/10/792525910.db2.gz CAYVEODMUHPYQQ-GFCCVEGCSA-N 1 0 323.441 2.161 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cn(C)nn1 ZINC000715852687 792528156 /nfs/dbraw/zinc/52/81/56/792528156.db2.gz HKZMYNBVXKRPCY-XQQFMLRXSA-N 1 0 323.441 2.159 10 0 DEAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCC2(C)OCCO2)C1 ZINC000716018121 792553143 /nfs/dbraw/zinc/55/31/43/792553143.db2.gz CQIYZEZKRNRJAH-UHFFFAOYSA-N 1 0 314.426 2.032 10 0 DEAERO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000716447387 792958643 /nfs/dbraw/zinc/95/86/43/792958643.db2.gz PFARSKMRETYQCC-BXUZGUMPSA-N 1 0 308.426 2.453 10 0 DEAERO C[C@H](NC(=O)c1nscc1Br)C1CC[NH2+]CC1 ZINC000716639456 792982825 /nfs/dbraw/zinc/98/28/25/792982825.db2.gz NKJIVJMLBFCZTF-ZETCQYMHSA-N 1 0 318.240 2.024 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC[C@H](O)C(F)F)CC1 ZINC000716754883 793005902 /nfs/dbraw/zinc/00/59/02/793005902.db2.gz VRWCRYDJIPJSDK-NEPJUHHUSA-N 1 0 322.396 2.382 10 0 DEAERO NC(=O)C1CC([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000716789502 793006850 /nfs/dbraw/zinc/00/68/50/793006850.db2.gz MJYUJDSWPBDALS-HRDQMINSSA-N 1 0 323.234 2.160 10 0 DEAERO CCC[C@H](CCO)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000716827528 793009096 /nfs/dbraw/zinc/00/90/96/793009096.db2.gz HCJQUGYYKSUCKJ-MCIONIFRSA-N 1 0 300.443 2.430 10 0 DEAERO CC[C@H](C[C@H](C)O)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000716855355 793009433 /nfs/dbraw/zinc/00/94/33/793009433.db2.gz WMACLXHLBSSNGF-IGQOVBAYSA-N 1 0 300.443 2.429 10 0 DEAERO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716855200 793009597 /nfs/dbraw/zinc/00/95/97/793009597.db2.gz VSEXBKDUAXMCBR-SGMGOOAPSA-N 1 0 300.443 2.381 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)c1cc(Br)ccc1N ZINC000123969665 796751268 /nfs/dbraw/zinc/75/12/68/796751268.db2.gz LSGGOQKJVYLVJH-UHFFFAOYSA-N 1 0 314.227 2.101 10 0 DEAERO [NH3+][C@@H]1CN(CCCOCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000717152402 799256562 /nfs/dbraw/zinc/25/65/62/799256562.db2.gz RBLUMKNMJWUTPY-RKDXNWHRSA-N 1 0 308.266 2.167 10 0 DEAERO Cc1c(C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000401717216 801844497 /nfs/dbraw/zinc/84/44/97/801844497.db2.gz YTOAYCSSIFFGPI-IUODEOHRSA-N 1 0 322.453 2.464 10 0 DEAERO C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401755404 801848506 /nfs/dbraw/zinc/84/85/06/801848506.db2.gz DKYVEZBPBHTKDQ-ZOBORPQBSA-N 1 0 300.443 2.381 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCN2CC=CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401852363 801854228 /nfs/dbraw/zinc/85/42/28/801854228.db2.gz TVNPYLHUXCYIPL-HZPDHXFCSA-N 1 0 323.481 2.483 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 ZINC000401856947 801855513 /nfs/dbraw/zinc/85/55/13/801855513.db2.gz VZASEUYSYXZQGD-KBXIAJHMSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nccnc1F ZINC000402651893 801898988 /nfs/dbraw/zinc/89/89/88/801898988.db2.gz JXFNHGXIXUGDFU-UKRRQHHQSA-N 1 0 300.381 2.360 10 0 DEAERO Brc1csnc1-c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000404890269 802035240 /nfs/dbraw/zinc/03/52/40/802035240.db2.gz LBFOMEUEGXRUHV-ZCFIWIBFSA-N 1 0 315.196 2.423 10 0 DEAERO C[C@H](C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2)N(C)C ZINC000405259808 802045512 /nfs/dbraw/zinc/04/55/12/802045512.db2.gz MOQRENLTRCPJEV-MCIONIFRSA-N 1 0 311.470 2.362 10 0 DEAERO COc1cc(OC)c(OC)cc1C[NH2+]CCc1ccccn1 ZINC000060815669 1078878170 /nfs/dbraw/zinc/87/81/70/1078878170.db2.gz XQJJFVXHADJUTG-UHFFFAOYSA-N 1 0 302.374 2.440 10 0 DEAERO C[C@@H]1[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCN1C ZINC000719608723 1089326960 /nfs/dbraw/zinc/32/69/60/1089326960.db2.gz HKUKWGKBOFHRSH-LERXQTSPSA-N 1 0 313.239 2.165 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]C2(C3CC3)CCC2)C1 ZINC000717904036 1081742279 /nfs/dbraw/zinc/74/22/79/1081742279.db2.gz MHYRNDKMRIXLEQ-MRXNPFEDSA-N 1 0 310.438 2.281 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)CCC(C)(C)C2CC2)CC[C@@H]1[NH3+] ZINC000717934413 1081803049 /nfs/dbraw/zinc/80/30/49/1081803049.db2.gz DQMCJBDGYMJNAB-OCCSQVGLSA-N 1 0 302.484 2.202 10 0 DEAERO CSC1CCC(C[NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC000720538741 1085447844 /nfs/dbraw/zinc/44/78/44/1085447844.db2.gz DBDUIRFOWKESRP-UHFFFAOYSA-N 1 0 305.509 2.323 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1nccn1C ZINC000721045374 1085634316 /nfs/dbraw/zinc/63/43/16/1085634316.db2.gz LUMCFCSCNAGFQW-ZIAGYGMSSA-N 1 0 322.453 2.403 10 0 DEAERO C[C@H](CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C(F)(F)F ZINC000720818304 1086169430 /nfs/dbraw/zinc/16/94/30/1086169430.db2.gz UTYFUDRUALAQQL-CSMHCCOUSA-N 1 0 306.250 2.171 10 0 DEAERO C[C@H]1[C@H]([NH2+]CCOC2CCOCC2)CCN1Cc1ccccc1 ZINC000701391171 1086363409 /nfs/dbraw/zinc/36/34/09/1086363409.db2.gz VYPUELFLASMRLJ-QFBILLFUSA-N 1 0 318.461 2.435 10 0 DEAERO C[NH2+]C[C@H](C)NC(=O)/C=C\c1ccc(C)cc1Br ZINC000701878160 1086390167 /nfs/dbraw/zinc/39/01/67/1086390167.db2.gz SGTGFHSPOTYSCV-ZADCQDASSA-N 1 0 311.223 2.495 10 0 DEAERO COC(=O)[C@H](C)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702039509 1086402076 /nfs/dbraw/zinc/40/20/76/1086402076.db2.gz LQZHFPVODRWKJQ-QILLFSRXSA-N 1 0 302.418 2.002 10 0 DEAERO C[NH+](C)C[C@H](N)c1nc(-c2ccc(Br)cc2)no1 ZINC000702206421 1086412712 /nfs/dbraw/zinc/41/27/12/1086412712.db2.gz YVCWGBRGRFXGHZ-JTQLQIEISA-N 1 0 311.183 2.061 10 0 DEAERO CSC1(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CCC1 ZINC000703353249 1086494252 /nfs/dbraw/zinc/49/42/52/1086494252.db2.gz BLLWBGYHYWHFCW-NSHDSACASA-N 1 0 302.440 2.413 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@H]2CCCSCC2)CO1 ZINC000703402271 1086496394 /nfs/dbraw/zinc/49/63/94/1086496394.db2.gz ZMSPVUFTFNWPSD-NWDGAFQWSA-N 1 0 302.440 2.413 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)CO1 ZINC000703399144 1086498453 /nfs/dbraw/zinc/49/84/53/1086498453.db2.gz OXGPCRLKSIFDQR-NEPJUHHUSA-N 1 0 300.399 2.085 10 0 DEAERO C[NH2+]C1CC(C(=O)NCCc2ccc(Br)cc2)C1 ZINC000703588717 1086524570 /nfs/dbraw/zinc/52/45/70/1086524570.db2.gz YBEDXVBTELXOJQ-UHFFFAOYSA-N 1 0 311.223 2.106 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)/C=C\c1ccc(Br)o1 ZINC000704634798 1086585839 /nfs/dbraw/zinc/58/58/39/1086585839.db2.gz HMCPTEKTBQTQGH-LQKZOZGNSA-N 1 0 313.195 2.312 10 0 DEAERO CO[C@H](C)C(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705933422 1086626387 /nfs/dbraw/zinc/62/63/87/1086626387.db2.gz KNZORVSZTGLVJE-MNEFBYGVSA-N 1 0 316.445 2.392 10 0 DEAERO C[N@@H+]1C[C@@]2(C)CN(c3ncc(Br)cn3)C[C@@]2(C)C1 ZINC000706220919 1086633692 /nfs/dbraw/zinc/63/36/92/1086633692.db2.gz XBNDDOXZOMIVBU-BETUJISGSA-N 1 0 311.227 2.017 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)/C=C\c1ccc(Cl)s1 ZINC000707100299 1086659251 /nfs/dbraw/zinc/65/92/51/1086659251.db2.gz CSBQGZRYXCBQMN-XQRVVYSFSA-N 1 0 302.827 2.109 10 0 DEAERO C[C@H](CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707941475 1086675146 /nfs/dbraw/zinc/67/51/46/1086675146.db2.gz PACFVYHBRQUNGC-QPSCCSFWSA-N 1 0 312.454 2.383 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000710838476 1086689841 /nfs/dbraw/zinc/68/98/41/1086689841.db2.gz VJBGDKUZEFJXFO-INIZCTEOSA-N 1 0 320.433 2.047 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H]2Cc3ccccc3O2)C1 ZINC000710959656 1086691323 /nfs/dbraw/zinc/69/13/23/1086691323.db2.gz COISPGFPBHNIPH-HNNXBMFYSA-N 1 0 318.417 2.447 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccsc1Br ZINC000711251198 1087035998 /nfs/dbraw/zinc/03/59/98/1087035998.db2.gz SDTSUOAUQPLGDA-VIFPVBQESA-N 1 0 317.252 2.372 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H](CO)C2)C1 ZINC000711439929 1087106456 /nfs/dbraw/zinc/10/64/56/1087106456.db2.gz JXDQBQYFRGHLAH-ZQDZILKHSA-N 1 0 312.454 2.430 10 0 DEAERO Cn1nccc1C[NH2+][C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711638405 1087179358 /nfs/dbraw/zinc/17/93/58/1087179358.db2.gz GCCWELJBAYPNNS-WMLDXEAASA-N 1 0 320.437 2.442 10 0 DEAERO Brc1c[nH]c(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)n1 ZINC000711838145 1087202911 /nfs/dbraw/zinc/20/29/11/1087202911.db2.gz ZCVYMPCVXWNHJT-MFKMUULPSA-N 1 0 314.227 2.467 10 0 DEAERO O=C(NCc1cnc(Cl)s1)c1cc2c(s1)CC[NH2+]C2 ZINC000718191308 1088409889 /nfs/dbraw/zinc/40/98/89/1088409889.db2.gz RJLLNKPHQBTJLH-UHFFFAOYSA-N 1 0 313.835 2.434 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2c(F)cccc2Br)C1 ZINC000718513928 1088572055 /nfs/dbraw/zinc/57/20/55/1088572055.db2.gz KILBBLSEFIZGAD-UHFFFAOYSA-N 1 0 315.186 2.332 10 0 DEAERO [NH3+]Cc1nc(CC(=O)N(Cc2cccs2)C2CC2)cs1 ZINC000719033700 1088768478 /nfs/dbraw/zinc/76/84/78/1088768478.db2.gz DPQHPGWARSIVJQ-UHFFFAOYSA-N 1 0 307.444 2.397 10 0 DEAERO CN(Cc1ccc(Cl)cc1)C(=O)Cc1csc(C[NH3+])n1 ZINC000719046739 1088787629 /nfs/dbraw/zinc/78/76/29/1088787629.db2.gz XGFWRJWRVBFNEJ-UHFFFAOYSA-N 1 0 309.822 2.456 10 0 DEAERO C[C@@H]1[C@@H](NC(=O)c2cc(Br)ccc2F)CC[N@@H+]1C ZINC000719388440 1089071247 /nfs/dbraw/zinc/07/12/47/1089071247.db2.gz QGTQGMDXEAHDMH-PELKAZGASA-N 1 0 315.186 2.411 10 0 DEAERO Cc1ccc(C[NH2+]Cc2cnnn2C)c(C)c1Br ZINC000719564716 1089301784 /nfs/dbraw/zinc/30/17/84/1089301784.db2.gz OHLPOQVFNZMINT-UHFFFAOYSA-N 1 0 309.211 2.484 10 0 DEAERO Cc1ccc(C[NH2+]C[C@H]2CNC(=O)C2)c(C)c1Br ZINC000719630958 1089319918 /nfs/dbraw/zinc/31/99/18/1089319918.db2.gz CSOPMYYIIVPOMD-NSHDSACASA-N 1 0 311.223 2.292 10 0 DEAERO CCCCS(=O)(=O)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000081767902 192321298 /nfs/dbraw/zinc/32/12/98/192321298.db2.gz FGMQCVVYPYKAJX-HNNXBMFYSA-N 1 0 302.484 2.361 10 0 DEAERO CN(C)c1nnc(S[C@H]2COc3ccccc3[C@H]2[NH3+])s1 ZINC000081769343 192322560 /nfs/dbraw/zinc/32/25/60/192322560.db2.gz GGEMDFAHLRWWQW-WDEREUQCSA-N 1 0 308.432 2.157 10 0 DEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)SCCS(C)(=O)=O ZINC000081768866 192322614 /nfs/dbraw/zinc/32/26/14/192322614.db2.gz ISOBQUCXLVFOPQ-FZMZJTMJSA-N 1 0 317.476 2.122 10 0 DEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)SCCS(C)(=O)=O ZINC000081768868 192323100 /nfs/dbraw/zinc/32/31/00/192323100.db2.gz ISOBQUCXLVFOPQ-SMDDNHRTSA-N 1 0 317.476 2.122 10 0 DEAERO CC(C)[N@H+](CC(=O)NCCN1CCc2ccccc21)C1CC1 ZINC000076674850 185030509 /nfs/dbraw/zinc/03/05/09/185030509.db2.gz GEVMAVGRQSJDJS-UHFFFAOYSA-N 1 0 301.434 2.038 10 0 DEAERO CC(=O)Nc1cccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000139524880 282101161 /nfs/dbraw/zinc/10/11/61/282101161.db2.gz QTRVJFCATYNEFG-WBMJQRKESA-N 1 0 318.421 2.099 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000076958660 185061100 /nfs/dbraw/zinc/06/11/00/185061100.db2.gz XVJUPEMZKFCHLG-LRDDRELGSA-N 1 0 306.381 2.120 10 0 DEAERO CC[NH2+][C@@H](CSCC(=O)OC)c1ccc2c(c1)OCCO2 ZINC000081793181 192324852 /nfs/dbraw/zinc/32/48/52/192324852.db2.gz FNSIZOQULLXGGS-LBPRGKRZSA-N 1 0 311.403 2.015 10 0 DEAERO C[NH2+][C@@H](CSc1ncccn1)c1ccc2c(c1)OCCO2 ZINC000081871682 192332490 /nfs/dbraw/zinc/33/24/90/192332490.db2.gz CVHNLXMYZRZAKD-LBPRGKRZSA-N 1 0 303.387 2.301 10 0 DEAERO CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1Sc1n[nH]c(=O)n1C ZINC000081880700 192334026 /nfs/dbraw/zinc/33/40/26/192334026.db2.gz PAIJHFBPWFPNRR-AGIUHOORSA-N 1 0 312.483 2.393 10 0 DEAERO CCn1c(=O)[nH]nc1S[C@H](C)[C@H]([NH2+]C)c1ccc(C)cc1 ZINC000081882124 192334244 /nfs/dbraw/zinc/33/42/44/192334244.db2.gz BHVDEWZRXIABEH-YPMHNXCESA-N 1 0 306.435 2.341 10 0 DEAERO C[NH2+][C@H](c1ccccc1)[C@@H](Sc1n[nH]c(=O)n1C)C(C)C ZINC000081880532 192334485 /nfs/dbraw/zinc/33/44/85/192334485.db2.gz SLFWPDLUCTUOLB-OLZOCXBDSA-N 1 0 306.435 2.186 10 0 DEAERO CCC[NH2+]Cc1ccc(Cl)cc1N(C)C[C@H](O)COC ZINC000162310939 197558881 /nfs/dbraw/zinc/55/88/81/197558881.db2.gz JHCGIBZKWQCMGN-AWEZNQCLSA-N 1 0 300.830 2.283 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(C)cc1C ZINC000081922487 192338406 /nfs/dbraw/zinc/33/84/06/192338406.db2.gz PCHSXTHLQDRATE-HOCLYGCPSA-N 1 0 311.447 2.234 10 0 DEAERO C[C@H](O)C[C@@H](C[NH3+])c1cc(Br)c2c(c1)OCCO2 ZINC000162497332 197570588 /nfs/dbraw/zinc/57/05/88/197570588.db2.gz ICQOVKCRRAOHPK-WPRPVWTQSA-N 1 0 316.195 2.034 10 0 DEAERO CCC[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1S(=O)(=O)CC ZINC000081925722 192340252 /nfs/dbraw/zinc/34/02/52/192340252.db2.gz RVXFIXGUCKNMJD-JKSUJKDBSA-N 1 0 311.447 2.485 10 0 DEAERO CC(C)[NH2+][C@@](C)(CCCCOCCOC(C)(C)C)C(N)=O ZINC000162935448 197601284 /nfs/dbraw/zinc/60/12/84/197601284.db2.gz FOBOBRQNZIXOSE-INIZCTEOSA-N 1 0 302.459 2.230 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])[C@@](C)(CC)OC)c1Br ZINC000163411587 197629547 /nfs/dbraw/zinc/62/95/47/197629547.db2.gz RWRMCOSJTDFEPY-WCQYABFASA-N 1 0 318.259 2.430 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](C)S(=O)(=O)c1ccccc1Br ZINC000081931512 192341290 /nfs/dbraw/zinc/34/12/90/192341290.db2.gz HYTQGPJMFATWTD-PSASIEDQSA-N 1 0 306.225 2.349 10 0 DEAERO CCC[NH2+]CCS(=O)(=O)c1ccccc1Br ZINC000081932095 192341722 /nfs/dbraw/zinc/34/17/22/192341722.db2.gz XDPMAHJUNXTCTI-UHFFFAOYSA-N 1 0 306.225 2.222 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)CCOC)c1ccc(CC(C)C)cc1 ZINC000081943421 192344516 /nfs/dbraw/zinc/34/45/16/192344516.db2.gz RXZUYERVIYMXMQ-INIZCTEOSA-N 1 0 313.463 2.207 10 0 DEAERO CCC(CC)CN(CC(=O)OC)C(=O)CC[C@H](C)CC[NH3+] ZINC000079118529 185159366 /nfs/dbraw/zinc/15/93/66/185159366.db2.gz VLGKDNUEGZYQEX-ZDUSSCGKSA-N 1 0 300.443 2.189 10 0 DEAERO CCC[C@H](CC[NH3+])CCC(=O)N[C@H](C(=O)OC)[C@@H](C)CC ZINC000079237777 185162086 /nfs/dbraw/zinc/16/20/86/185162086.db2.gz FQHSXPBAKFPHLR-YDHLFZDLSA-N 1 0 300.443 2.236 10 0 DEAERO COC(=O)[C@@H](CC(C)C)NC(=O)CC[C@H](CC[NH3+])C(C)C ZINC000079276256 185162969 /nfs/dbraw/zinc/16/29/69/185162969.db2.gz BTMPVJQRHUHKDY-ZIAGYGMSSA-N 1 0 300.443 2.092 10 0 DEAERO CCC[C@@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000079358258 185166851 /nfs/dbraw/zinc/16/68/51/185166851.db2.gz SFKIOLGPRJSUJQ-CQSZACIVSA-N 1 0 302.484 2.218 10 0 DEAERO Cc1cccc(N2CCN(C(=O)C[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000082314476 185175388 /nfs/dbraw/zinc/17/53/88/185175388.db2.gz SQGNCPXYGXSXDL-QGZVFWFLSA-N 1 0 315.461 2.376 10 0 DEAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H](c1ccccc1)C1CC1 ZINC000158694853 295676678 /nfs/dbraw/zinc/67/66/78/295676678.db2.gz YPIIPBNFALCRKT-ZWKOTPCHSA-N 1 0 316.445 2.143 10 0 DEAERO [NH3+]C[C@H]1CN(CCSc2cccc(C(F)(F)F)c2)CCO1 ZINC000165008169 197667993 /nfs/dbraw/zinc/66/79/93/197667993.db2.gz BZJHRAHTQNPVLG-LBPRGKRZSA-N 1 0 320.380 2.457 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000082820017 185208536 /nfs/dbraw/zinc/20/85/36/185208536.db2.gz ODRLMJGWHVIEKH-MWLCHTKSSA-N 1 0 304.209 2.103 10 0 DEAERO [NH3+][C@@](CO)(CSc1ccc(Br)cn1)C1CC1 ZINC000082905385 185209646 /nfs/dbraw/zinc/20/96/46/185209646.db2.gz AXVJLYNSZNTVJU-NSHDSACASA-N 1 0 303.225 2.036 10 0 DEAERO O=c1[nH]ccnc1N1CCC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000328632209 231269306 /nfs/dbraw/zinc/26/93/06/231269306.db2.gz LDQFLVPQELQYKF-CQSZACIVSA-N 1 0 323.400 2.422 10 0 DEAERO Cc1nc2cncc(N3CC[NH+](Cc4cccc(C)c4)CC3)n2n1 ZINC000328626856 231257950 /nfs/dbraw/zinc/25/79/50/231257950.db2.gz FNNIBYQZDFIURS-UHFFFAOYSA-N 1 0 322.416 2.063 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1cc(Br)cn1C1CC1)C1CC1 ZINC000087383792 185223105 /nfs/dbraw/zinc/22/31/05/185223105.db2.gz NHFYGHCOTVHXMY-NSHDSACASA-N 1 0 312.211 2.053 10 0 DEAERO CC(C)c1ccc([C@@H](C[NH3+])[C@@H](O)C(C)(C)S(C)(=O)=O)cc1 ZINC000087381968 185223110 /nfs/dbraw/zinc/22/31/10/185223110.db2.gz SLGCRNQOUJOGAH-HUUCEWRRSA-N 1 0 313.463 2.036 10 0 DEAERO CC(C)[C@@H](C[NH3+])NC(=O)c1cc(F)ccc1Br ZINC000087403394 185223574 /nfs/dbraw/zinc/22/35/74/185223574.db2.gz PQIWQFUJDAKUFE-LLVKDONJSA-N 1 0 303.175 2.301 10 0 DEAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000087403818 185223717 /nfs/dbraw/zinc/22/37/17/185223717.db2.gz FGRVNNFFIAHVCO-SECBINFHSA-N 1 0 311.234 2.399 10 0 DEAERO Cc1ccc2nc(C[N@@H+]3CCC[C@@H](n4cccn4)C3)cc(=O)n2c1 ZINC000328706888 231316409 /nfs/dbraw/zinc/31/64/09/231316409.db2.gz PVDKEGBSCVZNTE-MRXNPFEDSA-N 1 0 323.400 2.037 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000087455337 185225626 /nfs/dbraw/zinc/22/56/26/185225626.db2.gz HUBYXKRMVXBNQX-VWYCJHECSA-N 1 0 308.451 2.035 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328673448 231301255 /nfs/dbraw/zinc/30/12/55/231301255.db2.gz PCLVPEKRBKSMSB-ILXRZTDVSA-N 1 0 307.438 2.361 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000189044819 529510156 /nfs/dbraw/zinc/51/01/56/529510156.db2.gz USHZTUKMIPWEEB-AWEZNQCLSA-N 1 0 300.805 2.368 10 0 DEAERO COCC[NH2+]CC[C@](C)(O)c1sccc1Br ZINC000087571903 185228468 /nfs/dbraw/zinc/22/84/68/185228468.db2.gz ZPHZWSCLFMASNJ-NSHDSACASA-N 1 0 308.241 2.344 10 0 DEAERO Cc1nn(C)c(C[C@@H]([NH3+])c2cncs2)c1Br ZINC000087574200 185228763 /nfs/dbraw/zinc/22/87/63/185228763.db2.gz GZWJTMMOIQTWDN-SSDOTTSWSA-N 1 0 301.213 2.190 10 0 DEAERO Cc1nn(C)c(C[C@@H]([NH3+])c2cscn2)c1Br ZINC000087594525 185228909 /nfs/dbraw/zinc/22/89/09/185228909.db2.gz JBSDTBBBTPNREP-SSDOTTSWSA-N 1 0 301.213 2.190 10 0 DEAERO COCC[NH2+]C[C@@H]1CCCN(c2nc(C(C)(C)C)ns2)C1 ZINC000087643903 185229709 /nfs/dbraw/zinc/22/97/09/185229709.db2.gz YMRJJXYWJZVYGC-LBPRGKRZSA-N 1 0 312.483 2.288 10 0 DEAERO [NH3+]C[C@@]1(Nc2ccccc2Br)CCN(C2CC2)C1 ZINC000087914397 185237207 /nfs/dbraw/zinc/23/72/07/185237207.db2.gz NYTFPXZJCFQNDB-AWEZNQCLSA-N 1 0 310.239 2.427 10 0 DEAERO CN1C[C@@H](n2c(N)[nH+]c3ccc(Br)cc32)CCC1=O ZINC000087837738 185233001 /nfs/dbraw/zinc/23/30/01/185233001.db2.gz KPTJFCGTFPZDCW-VIFPVBQESA-N 1 0 323.194 2.174 10 0 DEAERO Brc1ccc2nnc(CC[C@@H]3CCC[NH2+]C3)n2c1 ZINC000087846861 185233054 /nfs/dbraw/zinc/23/30/54/185233054.db2.gz OTXPHNTXRGXVNQ-JTQLQIEISA-N 1 0 309.211 2.424 10 0 DEAERO C[C@@H](Nc1nc(NN)[nH+]cc1Br)c1cccnc1 ZINC000087853513 185233713 /nfs/dbraw/zinc/23/37/13/185233713.db2.gz BFWWGNIOHDHJQV-SSDOTTSWSA-N 1 0 309.171 2.093 10 0 DEAERO C[NH2+][C@H](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COCCO1 ZINC000087857548 185233730 /nfs/dbraw/zinc/23/37/30/185233730.db2.gz JJYQTNDCJMYDKT-OLZOCXBDSA-N 1 0 305.296 2.131 10 0 DEAERO C[C@@H](CC[NH3+])S(=O)(=O)Cc1cc(Br)cs1 ZINC000088088161 185239462 /nfs/dbraw/zinc/23/94/62/185239462.db2.gz QCPHEEFRIJQXSJ-ZETCQYMHSA-N 1 0 312.254 2.163 10 0 DEAERO CC(C)C[C@H](C)N(C)c1nc(NN)[nH+]cc1Br ZINC000087866711 185233960 /nfs/dbraw/zinc/23/39/60/185233960.db2.gz LKHLVHAQYOOJMG-QMMMGPOBSA-N 1 0 302.220 2.396 10 0 DEAERO CC1(C)CCN(c2nc(NN)[nH+]cc2Br)CC1 ZINC000087870162 185234094 /nfs/dbraw/zinc/23/40/94/185234094.db2.gz KIIGSUSNGJQMBX-UHFFFAOYSA-N 1 0 300.204 2.151 10 0 DEAERO CCC[NH2+][C@@H]1CCCc2c(OCCS(C)(=O)=O)cccc21 ZINC000088152332 185240638 /nfs/dbraw/zinc/24/06/38/185240638.db2.gz KOPDRAVGWHAWDC-OAHLLOKOSA-N 1 0 311.447 2.487 10 0 DEAERO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000328936514 231392227 /nfs/dbraw/zinc/39/22/27/231392227.db2.gz FXSJGDZHJVWRGP-NUEKZKHPSA-N 1 0 315.421 2.448 10 0 DEAERO C[NH+](C)C[C@@H](O)CNc1c2nsnc2c(Cl)cc1Cl ZINC000088119937 185240120 /nfs/dbraw/zinc/24/01/20/185240120.db2.gz FTFMWKOXRHIXFV-LURJTMIESA-N 1 0 321.233 2.333 10 0 DEAERO [NH3+]C[C@@H]1CC(=O)N(c2ccc(Cl)cc2Br)C1 ZINC000088123684 185240160 /nfs/dbraw/zinc/24/01/60/185240160.db2.gz HVVOCRVAAKEZFI-ZETCQYMHSA-N 1 0 303.587 2.414 10 0 DEAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(OC)c(Br)c1 ZINC000088321829 185245824 /nfs/dbraw/zinc/24/58/24/185245824.db2.gz QOVIVZHFTKIGAJ-MRVPVSSYSA-N 1 0 301.184 2.381 10 0 DEAERO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1ccncc1 ZINC000088386788 185247873 /nfs/dbraw/zinc/24/78/73/185247873.db2.gz GHQQBFCZKBUVAA-UHFFFAOYSA-N 1 0 324.428 2.228 10 0 DEAERO O=S(=O)(c1cccc(F)c1)N1CC[NH2+]CC12CCCCC2 ZINC000088396176 185248448 /nfs/dbraw/zinc/24/84/48/185248448.db2.gz ZXULLVLZHXZRTE-UHFFFAOYSA-N 1 0 312.410 2.123 10 0 DEAERO CC[NH2+][C@@](C)(CCC[NH+]1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000088435551 185250397 /nfs/dbraw/zinc/25/03/97/185250397.db2.gz IFBCZOMFDSNKIN-ZDUSSCGKSA-N 1 0 310.360 2.494 10 0 DEAERO CCOC(=O)[C@@](C)(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)NC ZINC000088435330 185250446 /nfs/dbraw/zinc/25/04/46/185250446.db2.gz FUHMZKPFXFOCFL-WCQYABFASA-N 1 0 310.360 2.192 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H]3CCCC[C@@H]32)o1 ZINC000088543963 185256918 /nfs/dbraw/zinc/25/69/18/185256918.db2.gz LVUKGPMTRLILKV-OCCSQVGLSA-N 1 0 312.435 2.342 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000341588689 282204095 /nfs/dbraw/zinc/20/40/95/282204095.db2.gz RPCHDZTXETUKCC-RBSFLKMASA-N 1 0 305.426 2.129 10 0 DEAERO CC[NH2+][C@H](Cc1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000088518993 185254761 /nfs/dbraw/zinc/25/47/61/185254761.db2.gz MMNSVIAJMLMZTC-DGCLKSJQSA-N 1 0 324.471 2.252 10 0 DEAERO CCC(CC)NS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088541916 185255743 /nfs/dbraw/zinc/25/57/43/185255743.db2.gz FQVCORDTVCIZSW-UHFFFAOYSA-N 1 0 302.440 2.492 10 0 DEAERO C[C@H]1CCCN1S(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088543313 185256520 /nfs/dbraw/zinc/25/65/20/185256520.db2.gz LBDNYABHWKXODO-NSHDSACASA-N 1 0 300.424 2.341 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)Cc1ccccc1C ZINC000081984812 192348812 /nfs/dbraw/zinc/34/88/12/192348812.db2.gz ADBNXIQZGXONDS-JKSUJKDBSA-N 1 0 311.447 2.067 10 0 DEAERO CCC[NH2+][C@@H](c1ccccc1COC)[C@H]1CCS(=O)(=O)C1 ZINC000088556546 185258021 /nfs/dbraw/zinc/25/80/21/185258021.db2.gz STBYYLSAGZKCHY-GOEBONIOSA-N 1 0 311.447 2.308 10 0 DEAERO COc1ccc(Br)c(-c2nnc(CC[NH3+])s2)c1 ZINC000088811229 185266441 /nfs/dbraw/zinc/26/64/41/185266441.db2.gz JXDAQHUNBUXGIV-UHFFFAOYSA-N 1 0 314.208 2.477 10 0 DEAERO CC[NH2+][C@H](C)c1nnc(-c2ccc(S(C)(=O)=O)cc2)s1 ZINC000088821361 185266690 /nfs/dbraw/zinc/26/66/90/185266690.db2.gz CRLSEYMKOHTSFF-SECBINFHSA-N 1 0 311.432 2.279 10 0 DEAERO CC(C)[C@@H]1CCCN1S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000088846286 185266856 /nfs/dbraw/zinc/26/68/56/185266856.db2.gz NBDQWTHHXZGTSV-LBPRGKRZSA-N 1 0 302.465 2.058 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)C1CCOCC1)c1ccc(C)c(C)c1 ZINC000081990521 192350231 /nfs/dbraw/zinc/35/02/31/192350231.db2.gz ZSJQELPSJDESBN-INIZCTEOSA-N 1 0 311.447 2.158 10 0 DEAERO CCc1ccc([C@H]([NH3+])[C@H](C)S(=O)(=O)C2CCOCC2)cc1 ZINC000081989764 192350379 /nfs/dbraw/zinc/35/03/79/192350379.db2.gz AAISSSNPYWDYSA-BLLLJJGKSA-N 1 0 311.447 2.231 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCc1ccccn1 ZINC000179221319 282218911 /nfs/dbraw/zinc/21/89/11/282218911.db2.gz ZWENDHLRSXWDRK-INIZCTEOSA-N 1 0 304.438 2.188 10 0 DEAERO COCCC[S@@](=O)C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000081999309 192353099 /nfs/dbraw/zinc/35/30/99/192353099.db2.gz LJXJNCSWBQJGLT-ODXCJYRJSA-N 1 0 309.353 2.490 10 0 DEAERO O=C1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2Br)N1 ZINC000090251319 185288038 /nfs/dbraw/zinc/28/80/38/185288038.db2.gz SXIQZYGOVCKRJV-SNVBAGLBSA-N 1 0 317.614 2.471 10 0 DEAERO CCN(C(=O)c1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000090291201 185289490 /nfs/dbraw/zinc/28/94/90/185289490.db2.gz KXLVELAWVOJDJU-UHFFFAOYSA-N 1 0 301.159 2.022 10 0 DEAERO COc1ccc(Br)c(-n2cc(C[NH2+]C3CC3)nn2)c1 ZINC000090300337 185290036 /nfs/dbraw/zinc/29/00/36/185290036.db2.gz PNPLBWIBCNHMFG-UHFFFAOYSA-N 1 0 323.194 2.290 10 0 DEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1ccc(Cl)cc1Cl ZINC000090312047 185290592 /nfs/dbraw/zinc/29/05/92/185290592.db2.gz ZNPLTRAMSIRPQP-TUAOUCFPSA-N 1 0 303.189 2.228 10 0 DEAERO [NH3+][C@@H](C[S@](=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000082003190 192353617 /nfs/dbraw/zinc/35/36/17/192353617.db2.gz PSBLMGVTILAOBQ-YEJXKQKISA-N 1 0 307.346 2.362 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)CCCOC)c1ccc(CC)cc1 ZINC000082011575 192353622 /nfs/dbraw/zinc/35/36/22/192353622.db2.gz LEXWHGCSZWAUBZ-INIZCTEOSA-N 1 0 313.463 2.351 10 0 DEAERO Cc1ccc(NC(=O)CN2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2C)c(Cl)c1 ZINC000090326848 185291449 /nfs/dbraw/zinc/29/14/49/185291449.db2.gz AINIVQTWYDQMTJ-RWMBFGLXSA-N 1 0 307.825 2.127 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1nnc(-c2cccs2)o1 ZINC000090333251 185291521 /nfs/dbraw/zinc/29/15/21/185291521.db2.gz QTMQTDGLOJKJFQ-IJLUTSLNSA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1Cc1nnc(-c2cccs2)o1 ZINC000090338197 185291869 /nfs/dbraw/zinc/29/18/69/185291869.db2.gz LYZGDGFMZWMVSP-WDEREUQCSA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1Cc1nc(-c2cccs2)no1 ZINC000090337437 185291915 /nfs/dbraw/zinc/29/19/15/185291915.db2.gz SKGUOASUYSUUCA-MNOVXSKESA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1Cc1nnc(-c2cccs2)o1 ZINC000090338196 185292007 /nfs/dbraw/zinc/29/20/07/185292007.db2.gz LYZGDGFMZWMVSP-MNOVXSKESA-N 1 0 304.419 2.228 10 0 DEAERO CN(Cc1ccc(Br)cc1)[C@H](C[NH3+])c1cncn1C ZINC000090167499 185284787 /nfs/dbraw/zinc/28/47/87/185284787.db2.gz ZYFJHXMEUOZLSH-CYBMUJFWSA-N 1 0 323.238 2.314 10 0 DEAERO Cc1nc(-c2cccc(NC(=O)[C@@H]3COC[C@@H]3[NH3+])c2)cs1 ZINC000090380490 185293786 /nfs/dbraw/zinc/29/37/86/185293786.db2.gz IUUZJELFJBDGMK-OLZOCXBDSA-N 1 0 303.387 2.031 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000090432810 185295839 /nfs/dbraw/zinc/29/58/39/185295839.db2.gz ZWHYTUHNMOOISZ-WCQYABFASA-N 1 0 305.765 2.061 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000090434943 185296123 /nfs/dbraw/zinc/29/61/23/185296123.db2.gz BCLISUWPEZZWAG-HUUCEWRRSA-N 1 0 308.809 2.065 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000090434112 185296210 /nfs/dbraw/zinc/29/62/10/185296210.db2.gz HPAWBYLTZFVHFI-GWCFXTLKSA-N 1 0 305.765 2.061 10 0 DEAERO C[C@]1(C(=O)N[C@@H](c2cccs2)C2CCCC2)COC[C@@H]1[NH3+] ZINC000090585240 185305105 /nfs/dbraw/zinc/30/51/05/185305105.db2.gz NPPMFEQGUXPYET-LZWOXQAQSA-N 1 0 308.447 2.459 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)COC[C@H]1[NH3+] ZINC000090597735 185305794 /nfs/dbraw/zinc/30/57/94/185305794.db2.gz GXZXBSXPKCZWQU-ZYHUDNBSSA-N 1 0 306.259 2.147 10 0 DEAERO Cc1cccc(Cl)c1NS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000090538198 185301500 /nfs/dbraw/zinc/30/15/00/185301500.db2.gz JPBJXKFKPWWTSK-LLVKDONJSA-N 1 0 302.827 2.390 10 0 DEAERO CCO[C@]1([C@@H](CCCS(C)(=O)=O)[NH2+]C)CCC[C@H](C)C1 ZINC000166515202 197694185 /nfs/dbraw/zinc/69/41/85/197694185.db2.gz VZXZCPBBVCGRBP-RRFJBIMHSA-N 1 0 305.484 2.385 10 0 DEAERO CCC[C@H](C(=O)NCCc1nnc(-c2ccccc2)o1)[NH+](C)C ZINC000179501343 282227544 /nfs/dbraw/zinc/22/75/44/282227544.db2.gz MKXHUYWKPUPPGL-CQSZACIVSA-N 1 0 316.405 2.126 10 0 DEAERO COc1ccc(C[S@](=O)CC(C)(C)[NH3+])cc1Br ZINC000166656912 197695919 /nfs/dbraw/zinc/69/59/19/197695919.db2.gz UILSUOUCCLCFAP-QGZVFWFLSA-N 1 0 320.252 2.444 10 0 DEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)NCc1cccs1 ZINC000090700238 185310395 /nfs/dbraw/zinc/31/03/95/185310395.db2.gz WYJCUFJUIOMLPJ-GFCCVEGCSA-N 1 0 313.492 2.327 10 0 DEAERO Cc1cccc(CC(=O)N2CCCSC[C@@H]2C[NH+](C)C)c1 ZINC000090699966 185310431 /nfs/dbraw/zinc/31/04/31/185310431.db2.gz JHUZJNUMXVOFMG-INIZCTEOSA-N 1 0 306.475 2.433 10 0 DEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)NCc1ccccc1 ZINC000090700235 185310544 /nfs/dbraw/zinc/31/05/44/185310544.db2.gz SLHQMPFMMFMMAS-HNNXBMFYSA-N 1 0 307.463 2.265 10 0 DEAERO CCCS(=O)(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701809 185310631 /nfs/dbraw/zinc/31/06/31/185310631.db2.gz HKFOZFAXEDVOTF-CQSZACIVSA-N 1 0 320.524 2.020 10 0 DEAERO CCCc1nccn1-c1ncncc1I ZINC000090782674 185311885 /nfs/dbraw/zinc/31/18/85/185311885.db2.gz JRWMKTDDPHZMKC-UHFFFAOYSA-N 1 0 314.130 2.219 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](S(=O)(=O)C1CCCC1)CC2 ZINC000092388734 185315068 /nfs/dbraw/zinc/31/50/68/185315068.db2.gz OXJIMHDQMKMLCH-JKSUJKDBSA-N 1 0 309.431 2.367 10 0 DEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1Sc1nnc(C)[nH]1 ZINC000092390067 185315612 /nfs/dbraw/zinc/31/56/12/185315612.db2.gz PZHACAURYLESRT-ZIAGYGMSSA-N 1 0 304.419 2.489 10 0 DEAERO CCn1nc(C)c(Br)c1C[NH2+][C@@H](CO)C(C)C ZINC000092395058 185315940 /nfs/dbraw/zinc/31/59/40/185315940.db2.gz QNLNIHNIGPDSDW-JTQLQIEISA-N 1 0 304.232 2.080 10 0 DEAERO CCC[NH2+]C[C@@H](C)c1c(C)nn(CCS(=O)(=O)CC)c1C ZINC000092323550 185312333 /nfs/dbraw/zinc/31/23/33/185312333.db2.gz QNGVVVPEFMLURH-GFCCVEGCSA-N 1 0 315.483 2.038 10 0 DEAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCCOC(=O)NC(N)=O ZINC000183223801 282240443 /nfs/dbraw/zinc/24/04/43/282240443.db2.gz CDSZFCGXWRVXSJ-AWEZNQCLSA-N 1 0 319.405 2.485 10 0 DEAERO C[NH+]1CCC(Cn2c(N)nc3cc(Br)cnc32)CC1 ZINC000092575646 185326697 /nfs/dbraw/zinc/32/66/97/185326697.db2.gz ALFOWBGBBKXJLK-UHFFFAOYSA-N 1 0 324.226 2.118 10 0 DEAERO c1ccc2c(c1)SC[C@@H]2C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000092663728 185332489 /nfs/dbraw/zinc/33/24/89/185332489.db2.gz YXKZIVNESLVNNX-GJZGRUSLSA-N 1 0 304.459 2.282 10 0 DEAERO CCOc1c(OC)cc(C[NH2+]CC2(CCO)CC2)cc1OC ZINC000186177056 282268806 /nfs/dbraw/zinc/26/88/06/282268806.db2.gz QDJNYYDTWMELEX-UHFFFAOYSA-N 1 0 309.406 2.355 10 0 DEAERO C[C@@]1(C(=O)c2cc(Br)ccc2F)COC[C@@H]1[NH3+] ZINC000168486453 197723737 /nfs/dbraw/zinc/72/37/37/197723737.db2.gz ITYUYWWYJJARMQ-CMPLNLGQSA-N 1 0 302.143 2.135 10 0 DEAERO CS(=O)(=O)CCC[NH2+]C1[C@@H]2CC[C@H]1Cc1ccccc1C2 ZINC000168552729 197724444 /nfs/dbraw/zinc/72/44/44/197724444.db2.gz WRKGULKGXIJEQO-SJPCQFCGSA-N 1 0 307.459 2.204 10 0 DEAERO C[N@H+](CCNC(=O)NC[C@H]1CCC(C)(C)O1)Cc1ccccc1 ZINC000186387385 282274374 /nfs/dbraw/zinc/27/43/74/282274374.db2.gz CEIBHUNGCJBJFA-MRXNPFEDSA-N 1 0 319.449 2.375 10 0 DEAERO CN(C)c1ccc(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC000448013380 529784424 /nfs/dbraw/zinc/78/44/24/529784424.db2.gz MCPIGPPAYWOTBO-CQSZACIVSA-N 1 0 319.453 2.390 10 0 DEAERO Cc1nn(C)c2sc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)cc12 ZINC000155615889 282292282 /nfs/dbraw/zinc/29/22/82/282292282.db2.gz WXIMRUVCQVZQLD-GWCFXTLKSA-N 1 0 320.462 2.402 10 0 DEAERO C[C@H](CNC(=O)c1cn2ccnc2s1)[NH+]1CCC(C)CC1 ZINC000188385213 282298867 /nfs/dbraw/zinc/29/88/67/282298867.db2.gz MKALXNZUVRFZHZ-GFCCVEGCSA-N 1 0 306.435 2.246 10 0 DEAERO CCC[NH2+][C@H](C[C@H]1CCS(=O)(=O)C1)c1ccnn1CCC ZINC000097184488 185419308 /nfs/dbraw/zinc/41/93/08/185419308.db2.gz YJBORRSGDVHYOR-ZIAGYGMSSA-N 1 0 313.467 2.159 10 0 DEAERO CN(C)c1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000032273399 190658186 /nfs/dbraw/zinc/65/81/86/190658186.db2.gz ORRJFXUNUHRDDJ-MRXNPFEDSA-N 1 0 312.417 2.180 10 0 DEAERO CCOc1ccc(C[C@@H]2[C@H](O)C3CC[NH+]2CC3)cc1OCC ZINC000169966637 197762591 /nfs/dbraw/zinc/76/25/91/197762591.db2.gz SPIGMAGALOTEOL-CRAIPNDOSA-N 1 0 305.418 2.482 10 0 DEAERO COc1ccc(Br)cc1[C@H]1NN=C2CC[N@H+](C)C[C@@H]21 ZINC000169963594 197763188 /nfs/dbraw/zinc/76/31/88/197763188.db2.gz HRQJIQYITAFDJS-SMDDNHRTSA-N 1 0 324.222 2.410 10 0 DEAERO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ncc(F)cn1 ZINC000328637373 529955039 /nfs/dbraw/zinc/95/50/39/529955039.db2.gz VXRAPEJMDASBQU-ZFWWWQNUSA-N 1 0 301.369 2.140 10 0 DEAERO COC[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000615087176 362530918 /nfs/dbraw/zinc/53/09/18/362530918.db2.gz LQNOBPNIEWEXOV-OCCSQVGLSA-N 1 0 301.427 2.138 10 0 DEAERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCC2(C)COC2)C1 ZINC000112717796 539441587 /nfs/dbraw/zinc/44/15/87/539441587.db2.gz ZOYKZGRHEYWNPB-KBPBESRZSA-N 1 0 311.470 2.079 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)CN(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245432946 282387758 /nfs/dbraw/zinc/38/77/58/282387758.db2.gz OYTUKAFCULEKTI-BBWFWOEESA-N 1 0 309.498 2.440 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCC1CCCCC1 ZINC000245442855 282388952 /nfs/dbraw/zinc/38/89/52/282388952.db2.gz WRBCCOYCQXCIJO-IRXDYDNUSA-N 1 0 307.482 2.242 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245568218 282398277 /nfs/dbraw/zinc/39/82/77/282398277.db2.gz FUVGIHMBBODMMP-QKPAOTATSA-N 1 0 311.470 2.362 10 0 DEAERO CCc1nc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cs1 ZINC000125405100 539472735 /nfs/dbraw/zinc/47/27/35/539472735.db2.gz CXPMJHAFKAEJBS-QWRGUYRKSA-N 1 0 308.451 2.130 10 0 DEAERO CCc1cnc(CCNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)s1 ZINC000126316115 539477276 /nfs/dbraw/zinc/47/72/76/539477276.db2.gz FJXXEGHZVGPUGF-NWDGAFQWSA-N 1 0 322.478 2.172 10 0 DEAERO CC[N@@H+]1CCN(C(=O)CC2(CC(=O)OC)CCCC2)C[C@H]1C ZINC000615570519 362642931 /nfs/dbraw/zinc/64/29/31/362642931.db2.gz OKKLAPYHRXRZSQ-CQSZACIVSA-N 1 0 310.438 2.053 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1nnc(N(C)C)s1)C(F)(F)F ZINC000111315269 185580949 /nfs/dbraw/zinc/58/09/49/185580949.db2.gz BPEYGZGKCZKHNR-PHDIDXHHSA-N 1 0 300.375 2.364 10 0 DEAERO CCCO[C@H]1CCCN(c2nc3sccn3c2CC[NH3+])C1 ZINC000111486246 185608397 /nfs/dbraw/zinc/60/83/97/185608397.db2.gz ZQCMIHDFRQYJEN-LBPRGKRZSA-N 1 0 308.451 2.292 10 0 DEAERO CC[C@]1(C)C[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000246663151 282457329 /nfs/dbraw/zinc/45/73/29/282457329.db2.gz LSARPKFWNXPBIA-MUQADHOPSA-N 1 0 308.466 2.307 10 0 DEAERO C[NH+](C)C1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000115376674 185680713 /nfs/dbraw/zinc/68/07/13/185680713.db2.gz KVBKKZWZUWNHMK-UHFFFAOYSA-N 1 0 303.381 2.402 10 0 DEAERO COC(=O)CC1(CC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CCCC1 ZINC000615931417 362734313 /nfs/dbraw/zinc/73/43/13/362734313.db2.gz SMVZQOFVGLZOJM-HNNXBMFYSA-N 1 0 324.465 2.489 10 0 DEAERO CS[C@H]1CN(C(=O)Nc2ccc(C)nc2)C[C@@H]1[NH+]1CCCC1 ZINC000615932975 362735418 /nfs/dbraw/zinc/73/54/18/362735418.db2.gz XKDHRBJJEYVZDH-GJZGRUSLSA-N 1 0 320.462 2.434 10 0 DEAERO C[N@@H+]1CC[C@@H](CNc2cc(C(N)=S)c3ccccc3n2)C1 ZINC000068799003 190783637 /nfs/dbraw/zinc/78/36/37/190783637.db2.gz GVVRTXAJFRCLII-NSHDSACASA-N 1 0 300.431 2.233 10 0 DEAERO c1sc2ccccc2c1C[NH+]1CCN(c2nccnn2)CC1 ZINC000625636603 365856541 /nfs/dbraw/zinc/85/65/41/365856541.db2.gz KDBKOHULIJRZKR-UHFFFAOYSA-N 1 0 311.414 2.409 10 0 DEAERO C[C@H]1C[C@@H](N(C)CC(=O)Nc2cc(C(C)(C)C)no2)CC[N@@H+]1C ZINC000123618739 185826706 /nfs/dbraw/zinc/82/67/06/185826706.db2.gz YFOLKYKSEJYNBS-STQMWFEESA-N 1 0 322.453 2.325 10 0 DEAERO CCC[NH2+][C@H]1c2cc3c(cc2S(=O)(=O)[C@@H]1CC)OCCO3 ZINC000124070757 185868888 /nfs/dbraw/zinc/86/88/88/185868888.db2.gz KBKFGDRYHKTNEK-HIFRSBDPSA-N 1 0 311.403 2.064 10 0 DEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC000162458627 539597343 /nfs/dbraw/zinc/59/73/43/539597343.db2.gz BURWDFXSGOAFBA-UKRRQHHQSA-N 1 0 320.481 2.450 10 0 DEAERO CC(=O)NCC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000126664520 185883134 /nfs/dbraw/zinc/88/31/34/185883134.db2.gz ALBOWGYWVPFLGX-MRVPVSSYSA-N 1 0 303.175 2.375 10 0 DEAERO C[C@@H]1CC[C@H](C[NH3+])CN1S(=O)(=O)c1ccccc1Cl ZINC000070181171 190868850 /nfs/dbraw/zinc/86/88/50/190868850.db2.gz XIWZTYXDJUQCIM-GHMZBOCLSA-N 1 0 302.827 2.088 10 0 DEAERO CC(C)(C)OC(=O)NCC[NH+]1CCC(c2cccnn2)CC1 ZINC000616619505 362899241 /nfs/dbraw/zinc/89/92/41/362899241.db2.gz KDSAZWVLCLMVBU-UHFFFAOYSA-N 1 0 306.410 2.181 10 0 DEAERO CN(C(=O)OC(C)(C)C)[C@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616671089 362907547 /nfs/dbraw/zinc/90/75/47/362907547.db2.gz GLZQJYZTAPUUDB-AWEZNQCLSA-N 1 0 305.422 2.243 10 0 DEAERO C[NH2+][C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2)C1 ZINC000616671758 362907726 /nfs/dbraw/zinc/90/77/26/362907726.db2.gz CCLFVZSZMJQDEB-CQSZACIVSA-N 1 0 302.399 2.026 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](n2ccnc2)CC1 ZINC000616627010 362900663 /nfs/dbraw/zinc/90/06/63/362900663.db2.gz ATLYWKDHZVUDTP-AWEZNQCLSA-N 1 0 308.426 2.435 10 0 DEAERO C[C@@H]1CN(C(C)(C)CNC(=O)NCC2(C)CCC2)C[C@H](C)O1 ZINC000176632513 539627913 /nfs/dbraw/zinc/62/79/13/539627913.db2.gz GLOGWQSPPAOWKZ-OKILXGFUSA-N 1 0 311.470 2.364 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1nc(-c2ccoc2)no1 ZINC000177341425 539630304 /nfs/dbraw/zinc/63/03/04/539630304.db2.gz DFIFHOGFYLGOIW-KGLIPLIRSA-N 1 0 302.378 2.388 10 0 DEAERO O=C1CCCN1C[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000178839714 539637445 /nfs/dbraw/zinc/63/74/45/539637445.db2.gz HFZWDVZPCYTSQA-OAHLLOKOSA-N 1 0 322.836 2.292 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CC12CCCCC2 ZINC000180290774 539644910 /nfs/dbraw/zinc/64/49/10/539644910.db2.gz YFEUBQVQUAGHSF-OAHLLOKOSA-N 1 0 309.454 2.121 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)N2CCOCC2)C12CCCCC2 ZINC000181438347 539651812 /nfs/dbraw/zinc/65/18/12/539651812.db2.gz YLLGZWPMNPFVLS-BRWVUGGUSA-N 1 0 310.482 2.425 10 0 DEAERO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)C2CC2)o1 ZINC000183124826 539659258 /nfs/dbraw/zinc/65/92/58/539659258.db2.gz QTIRVYKXURMFFM-CJNGLKHVSA-N 1 0 306.406 2.236 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCCn3ccnc32)C1 ZINC000080553503 192167186 /nfs/dbraw/zinc/16/71/86/192167186.db2.gz JBWRTLMCYFLZTJ-OWCLPIDISA-N 1 0 318.465 2.245 10 0 DEAERO [NH3+]C[C@@H](NC[C@H]1CCCO1)c1cc(Br)cs1 ZINC000083774353 192383180 /nfs/dbraw/zinc/38/31/80/192383180.db2.gz NBSGKZQJYLGWFH-NXEZZACHSA-N 1 0 305.241 2.279 10 0 DEAERO Cc1ccccc1CNC(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000193819493 539715165 /nfs/dbraw/zinc/71/51/65/539715165.db2.gz YZKJIFVUJJDGLE-OAHLLOKOSA-N 1 0 303.450 2.026 10 0 DEAERO COCC[C@H]([NH3+])Cc1ccc(I)cc1 ZINC000083850770 192386226 /nfs/dbraw/zinc/38/62/26/192386226.db2.gz 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c1cn2c(n1)C[C@H](c1nc(-c3ccn4c[nH+]cc4c3)no1)CC2 ZINC000350297798 356519396 /nfs/dbraw/zinc/51/93/96/356519396.db2.gz FUOFHGNWRBOLEX-GFCCVEGCSA-N 1 0 306.329 2.311 10 0 DEAERO CCC1(CC)C[NH2+][C@@](C)(C2CC2)CN1CCCS(C)(=O)=O ZINC000085515498 192514272 /nfs/dbraw/zinc/51/42/72/192514272.db2.gz XKNXPRPAEASVMF-OAHLLOKOSA-N 1 0 316.511 2.054 10 0 DEAERO CC[C@H]1CC[C@H](NS(=O)(=O)CCC2CC[NH2+]CC2)[C@@H]1C ZINC000086098913 192548270 /nfs/dbraw/zinc/54/82/70/192548270.db2.gz FQLGKVDEURRWDO-SNPRPXQTSA-N 1 0 302.484 2.120 10 0 DEAERO OCCN1CCC[C@H]([NH2+]Cc2sccc2Br)C1 ZINC000384413508 356683258 /nfs/dbraw/zinc/68/32/58/356683258.db2.gz XDTKOCCBYKFUCK-JTQLQIEISA-N 1 0 319.268 2.057 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@H](CO)[C@H]2C)ccc1OC(F)F ZINC000386351331 356696400 /nfs/dbraw/zinc/69/64/00/356696400.db2.gz YIYSAUXIRPHTPL-ZYHUDNBSSA-N 1 0 301.333 2.499 10 0 DEAERO C=Cn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)cn1 ZINC000578143811 356769669 /nfs/dbraw/zinc/76/96/69/356769669.db2.gz 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/nfs/dbraw/zinc/15/58/92/357155892.db2.gz IXHSUINJCRNDCZ-AWEZNQCLSA-N 1 0 314.838 2.104 10 0 DEAERO CC[C@H]1CCCCN1S(=O)(=O)c1ccsc1C[NH2+]C ZINC000088942620 192663571 /nfs/dbraw/zinc/66/35/71/192663571.db2.gz OMPIDSBQAXREES-NSHDSACASA-N 1 0 302.465 2.421 10 0 DEAERO CCN(C(C)C)S(=O)(=O)c1ccc(CC[NH2+]C2CC2)cc1 ZINC000088941666 192663702 /nfs/dbraw/zinc/66/37/02/192663702.db2.gz IKIWIXWKBLTRGX-UHFFFAOYSA-N 1 0 310.463 2.400 10 0 DEAERO CC(C)CCN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C(C)C ZINC000088991404 192685231 /nfs/dbraw/zinc/68/52/31/192685231.db2.gz OQNILXWBCXSKDS-OAHLLOKOSA-N 1 0 319.515 2.062 10 0 DEAERO Cc1ccccc1NCCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000588857943 357429979 /nfs/dbraw/zinc/42/99/79/357429979.db2.gz ZJXHDVKFBWFSGZ-UHFFFAOYSA-N 1 0 315.421 2.194 10 0 DEAERO CC(=O)NC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590717499 357590934 /nfs/dbraw/zinc/59/09/34/357590934.db2.gz WPQJDSGIISYOBA-MRXNPFEDSA-N 1 0 323.481 2.016 10 0 DEAERO CC(C)[C@H](O)CC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178898476 198948839 /nfs/dbraw/zinc/94/88/39/198948839.db2.gz JUOLJRXGHZBEST-GOSISDBHSA-N 1 0 318.461 2.217 10 0 DEAERO c1cc(-c2noc(CN3CCC[C@H]([NH+]4CCCC4)C3)n2)co1 ZINC000591834796 357766589 /nfs/dbraw/zinc/76/65/89/357766589.db2.gz YEJRYPUVEDMQTQ-AWEZNQCLSA-N 1 0 302.378 2.390 10 0 DEAERO CCC[C@H](C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)[NH+](C)C ZINC000179334223 199017183 /nfs/dbraw/zinc/01/71/83/199017183.db2.gz DSWZTXKXPVMMSM-CZUORRHYSA-N 1 0 315.421 2.175 10 0 DEAERO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c(C)[nH]1 ZINC000593216971 358035124 /nfs/dbraw/zinc/03/51/24/358035124.db2.gz FXUKGAURDMJVCH-UHFFFAOYSA-N 1 0 300.406 2.231 10 0 DEAERO C[C@H](CCCc1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000180107213 199117197 /nfs/dbraw/zinc/11/71/97/199117197.db2.gz DJFGAENQYBSSQO-NVXWUHKLSA-N 1 0 304.434 2.092 10 0 DEAERO COc1ccc(/C=C/C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1F ZINC000237304420 202224623 /nfs/dbraw/zinc/22/46/23/202224623.db2.gz ZXQJLEYEUYTPQW-ZELMDOOWSA-N 1 0 306.381 2.433 10 0 DEAERO Cc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1F ZINC000180471862 199162971 /nfs/dbraw/zinc/16/29/71/199162971.db2.gz SNVURODVSJVNML-ZDUSSCGKSA-N 1 0 323.412 2.165 10 0 DEAERO COc1cc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)ccc1SC ZINC000180498454 199167242 /nfs/dbraw/zinc/16/72/42/199167242.db2.gz CRCSMUQUTKBLJY-JSGCOSHPSA-N 1 0 310.463 2.398 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(Cl)cn2)CC[N@@H+]1C ZINC000180846205 199218015 /nfs/dbraw/zinc/21/80/15/199218015.db2.gz FNEBQBNNJMNIBH-RISCZKNCSA-N 1 0 310.829 2.359 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(Cl)cn2)CC[N@@H+]1C ZINC000180846185 199218409 /nfs/dbraw/zinc/21/84/09/199218409.db2.gz FNEBQBNNJMNIBH-SMDDNHRTSA-N 1 0 310.829 2.359 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(Cl)cn2)C1 ZINC000181094284 199251433 /nfs/dbraw/zinc/25/14/33/199251433.db2.gz REZKSVYLPSEDDM-AWEZNQCLSA-N 1 0 310.829 2.361 10 0 DEAERO Cc1oc(C[NH3+])cc1S(=O)(=O)N1CCC(C(C)(C)C)CC1 ZINC000089021543 192702325 /nfs/dbraw/zinc/70/23/25/192702325.db2.gz UUCBWQXXLLSHEI-UHFFFAOYSA-N 1 0 314.451 2.494 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C)sc1C[NH3+] ZINC000089023016 192703215 /nfs/dbraw/zinc/70/32/15/192703215.db2.gz IREOAKPRSNEQCO-KOLCDFICSA-N 1 0 302.465 2.324 10 0 DEAERO CCCn1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C)cc1C[NH3+] ZINC000089023259 192703851 /nfs/dbraw/zinc/70/38/51/192703851.db2.gz SJTWAIMEJKLAOV-STQMWFEESA-N 1 0 313.467 2.166 10 0 DEAERO CCn1nc(C)c(Br)c1CN1CCC[NH2+][C@H](C)C1 ZINC000089305306 192763719 /nfs/dbraw/zinc/76/37/19/192763719.db2.gz NWNATHJKCFWKCN-SNVBAGLBSA-N 1 0 315.259 2.158 10 0 DEAERO NC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089389075 192777671 /nfs/dbraw/zinc/77/76/71/192777671.db2.gz JMODHWFQDMRJBV-QWRGUYRKSA-N 1 0 309.797 2.143 10 0 DEAERO CC(C)C[NH2+]CC1(CN2CCS(=O)CC2)CCC(C)CC1 ZINC000089581156 192820130 /nfs/dbraw/zinc/82/01/30/192820130.db2.gz BOFBWINJSORJPK-UHFFFAOYSA-N 1 0 314.539 2.493 10 0 DEAERO Cc1cc(C)c(C)c(OCCC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000186666335 199988257 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CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3CCCC[C@@H]3O)ccc21 ZINC000187261050 200084854 /nfs/dbraw/zinc/08/48/54/200084854.db2.gz BNUGPUZMLLZGRT-RDJZCZTQSA-N 1 0 302.418 2.236 10 0 DEAERO CO[C@@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC000187325348 200095600 /nfs/dbraw/zinc/09/56/00/200095600.db2.gz LBIWLTLMERWLGD-RHSMWYFYSA-N 1 0 319.449 2.315 10 0 DEAERO Cc1cccnc1CC[NH2+]C[C@@H]1CCO[C@H]1c1nccn1C ZINC000668214502 540616708 /nfs/dbraw/zinc/61/67/08/540616708.db2.gz DSVLLVGFGKDKRK-GOEBONIOSA-N 1 0 300.406 2.033 10 0 DEAERO C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1coc(C[NH3+])c1 ZINC000187644046 200139032 /nfs/dbraw/zinc/13/90/32/200139032.db2.gz GZTFKKODSXSKMY-LRDDRELGSA-N 1 0 300.358 2.341 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)Cc2ccccc2F)C1 ZINC000187944567 200180553 /nfs/dbraw/zinc/18/05/53/200180553.db2.gz ZHLOKLIWMJAHFJ-KDOFPFPSSA-N 1 0 322.424 2.267 10 0 DEAERO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000187832066 200162908 /nfs/dbraw/zinc/16/29/08/200162908.db2.gz ALHTWARONYBQAR-GJZGRUSLSA-N 1 0 301.390 2.184 10 0 DEAERO Cc1ccc(CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C(C)C)s1 ZINC000188439493 200246150 /nfs/dbraw/zinc/24/61/50/200246150.db2.gz CSHZWBJVCHWRCF-UHFFFAOYSA-N 1 0 318.446 2.476 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1ccc(-c2ncon2)cc1)C1CCCCC1 ZINC000237797689 202357650 /nfs/dbraw/zinc/35/76/50/202357650.db2.gz XQXPLNMESFONIU-OAHLLOKOSA-N 1 0 314.389 2.374 10 0 DEAERO Cc1cc(CCNC(=O)C[NH+]2CCC(C)CC2)cc(C)c1O ZINC000188674855 200285783 /nfs/dbraw/zinc/28/57/83/200285783.db2.gz JOMZWASQHYNGCD-UHFFFAOYSA-N 1 0 304.434 2.400 10 0 DEAERO COCCC[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189030001 200338210 /nfs/dbraw/zinc/33/82/10/200338210.db2.gz YHUXMPNMBUAOAP-CJNGLKHVSA-N 1 0 308.397 2.331 10 0 DEAERO COC1CCC([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000189052764 200341945 /nfs/dbraw/zinc/34/19/45/200341945.db2.gz XCJPXVJBTWXULL-OFLPRAFFSA-N 1 0 320.408 2.474 10 0 DEAERO O=C1[C@H]([NH2+][C@@H]2CCCSC2)CCN1Cc1ccc(F)cc1 ZINC000189055767 200342159 /nfs/dbraw/zinc/34/21/59/200342159.db2.gz YYHPNUSGVXVGTF-HUUCEWRRSA-N 1 0 308.422 2.412 10 0 DEAERO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000189390604 200391957 /nfs/dbraw/zinc/39/19/57/200391957.db2.gz WGDOGKRVKJMQLE-NWDGAFQWSA-N 1 0 321.421 2.171 10 0 DEAERO CSCC1CCC([NH2+][C@H]2CCCS(=O)(=O)CC2)CC1 ZINC000602024421 360245204 /nfs/dbraw/zinc/24/52/04/360245204.db2.gz MMDFJIGBVUATKN-MOKVOYLWSA-N 1 0 305.509 2.465 10 0 DEAERO NC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000281186161 216138402 /nfs/dbraw/zinc/13/84/02/216138402.db2.gz IAFDPQYAQUYMQF-GVDBMIGSSA-N 1 0 302.418 2.301 10 0 DEAERO CC[C@H](OC1CCCC1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000603086833 360693961 /nfs/dbraw/zinc/69/39/61/360693961.db2.gz KTWBIEUCOBILLK-HNNXBMFYSA-N 1 0 308.426 2.121 10 0 DEAERO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000443663789 238120071 /nfs/dbraw/zinc/12/00/71/238120071.db2.gz YXXPCMGZISUGHP-LBPRGKRZSA-N 1 0 301.312 2.256 10 0 DEAERO Brc1ccc2ncnc(N3C[C@@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000603383529 360812879 /nfs/dbraw/zinc/81/28/79/360812879.db2.gz COMCJHIJLLRHHF-UWVGGRQHSA-N 1 0 319.206 2.048 10 0 DEAERO CC[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)CC(C)(C)O ZINC000603940274 360875078 /nfs/dbraw/zinc/87/50/78/360875078.db2.gz CDNVNMNSDZZYAV-UHFFFAOYSA-N 1 0 308.466 2.164 10 0 DEAERO O=C(C[N@@H+]1CCCC12CCC2)NC[C@@H]1Cc2ccccc2O1 ZINC000444790933 238310238 /nfs/dbraw/zinc/31/02/38/238310238.db2.gz LPKFAJGIYGLCKI-HNNXBMFYSA-N 1 0 300.402 2.125 10 0 DEAERO O=C(Nc1ccc2nccn2c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000606583967 361022474 /nfs/dbraw/zinc/02/24/74/361022474.db2.gz VPXSRGDHLNECBH-OAHLLOKOSA-N 1 0 313.405 2.426 10 0 DEAERO C[C@H]([NH3+])CCC(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000193257403 201015045 /nfs/dbraw/zinc/01/50/45/201015045.db2.gz XESCTLVEDNHBJT-ZRNGKTOUSA-N 1 0 302.827 2.284 10 0 DEAERO Cc1nc(C)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)o1 ZINC000628200644 366763381 /nfs/dbraw/zinc/76/33/81/366763381.db2.gz VHLJZZRYSVXBPQ-QGZVFWFLSA-N 1 0 315.417 2.282 10 0 DEAERO Cn1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1=O ZINC000610763317 361463050 /nfs/dbraw/zinc/46/30/50/361463050.db2.gz SYVXTGQXJYUPAJ-AWEZNQCLSA-N 1 0 320.433 2.329 10 0 DEAERO Cc1ccc(CN(C)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000194022043 201165379 /nfs/dbraw/zinc/16/53/79/201165379.db2.gz WTOKPKOMUQVPRH-GJZGRUSLSA-N 1 0 323.437 2.229 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000194153667 201187207 /nfs/dbraw/zinc/18/72/07/201187207.db2.gz TXYNNFBKSLWTRM-GFCCVEGCSA-N 1 0 323.824 2.187 10 0 DEAERO O=C(NCCCCO)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000194340169 201205787 /nfs/dbraw/zinc/20/57/87/201205787.db2.gz OEBZOJOYOKXREK-QGZVFWFLSA-N 1 0 319.449 2.113 10 0 DEAERO C[C@H](CC(N)=O)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527674090 283687669 /nfs/dbraw/zinc/68/76/69/283687669.db2.gz GUNAQNCCUHWUQR-ZCFIWIBFSA-N 1 0 307.138 2.081 10 0 DEAERO CC[C@@H](CO)[NH2+]C[C@H]1Cc2cc(Br)ccc2O1 ZINC000090903531 192943339 /nfs/dbraw/zinc/94/33/39/192943339.db2.gz KCFWWDBTFBOUME-NWDGAFQWSA-N 1 0 300.196 2.113 10 0 DEAERO Cc1ocnc1C(=O)N1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275428556 212327393 /nfs/dbraw/zinc/32/73/93/212327393.db2.gz UKDADZBVTSWBKU-ZDUSSCGKSA-N 1 0 314.389 2.454 10 0 DEAERO CC1(C)[C@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@H]2CCCO[C@H]21 ZINC000449177919 240157271 /nfs/dbraw/zinc/15/72/71/240157271.db2.gz WPJPELVLYWGYLF-BZUAXINKSA-N 1 0 323.458 2.383 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c(C)c2)CC12COC2 ZINC000449356940 240396257 /nfs/dbraw/zinc/39/62/57/240396257.db2.gz CWSAHKDOZWXBLL-HNNXBMFYSA-N 1 0 319.401 2.015 10 0 DEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000623765770 365167049 /nfs/dbraw/zinc/16/70/49/365167049.db2.gz WYTMDCHBWHYCGV-NEPJUHHUSA-N 1 0 320.614 2.342 10 0 DEAERO C[S@](=O)CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000091341906 193043007 /nfs/dbraw/zinc/04/30/07/193043007.db2.gz UUBRPKCUEHAMGI-BLLLJJGKSA-N 1 0 302.237 2.405 10 0 DEAERO CC[C@H](c1noc(-c2ccncc2Cl)n1)N1CC[NH2+]CC1 ZINC000091464220 193059301 /nfs/dbraw/zinc/05/93/01/193059301.db2.gz OMWWPZUACRMDPR-GFCCVEGCSA-N 1 0 307.785 2.141 10 0 DEAERO CCNc1ccc(Cl)c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000091432080 193054782 /nfs/dbraw/zinc/05/47/82/193054782.db2.gz IALSIQVWEBBCRQ-LLVKDONJSA-N 1 0 310.829 2.333 10 0 DEAERO COc1ccc(Br)c(C[NH2+]CC2CC(O)C2)c1 ZINC000091524388 193068681 /nfs/dbraw/zinc/06/86/81/193068681.db2.gz CWLDEDCAMAKYGL-UHFFFAOYSA-N 1 0 300.196 2.318 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H](O)C(C)(C)[NH+](C)C ZINC000091528148 193069761 /nfs/dbraw/zinc/06/97/61/193069761.db2.gz QZGBYQNHROXMAU-LLVKDONJSA-N 1 0 318.259 2.218 10 0 DEAERO Cc1csc([C@H]2CCC[N@@H+]([C@@H](C)CN3CCOCC3)C2)n1 ZINC000091552664 193072282 /nfs/dbraw/zinc/07/22/82/193072282.db2.gz OJQJBFMXZLLYAW-GJZGRUSLSA-N 1 0 309.479 2.352 10 0 DEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)C(C)(C)N1CCCCC1 ZINC000091565042 193073479 /nfs/dbraw/zinc/07/34/79/193073479.db2.gz MUORKPVNHFPHJS-HNNXBMFYSA-N 1 0 318.527 2.444 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)[C@](C)(CC)N1CCCC1 ZINC000091607461 193079302 /nfs/dbraw/zinc/07/93/02/193079302.db2.gz IDGTYWNYUOIZPP-CABCVRRESA-N 1 0 304.500 2.054 10 0 DEAERO c1ccc2c(c1)CN(c1ccnc(N3CC[NH+]4CCC3CC4)n1)C2 ZINC000624150115 365308537 /nfs/dbraw/zinc/30/85/37/365308537.db2.gz QTABSZMQTOZJIM-UHFFFAOYSA-N 1 0 321.428 2.281 10 0 DEAERO Cc1cc([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)ccc1Br ZINC000091474283 193061013 /nfs/dbraw/zinc/06/10/13/193061013.db2.gz GHIDKBRZSYKJKC-PWSUYJOCSA-N 1 0 318.236 2.192 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Br)cc1O ZINC000091496574 193064144 /nfs/dbraw/zinc/06/41/44/193064144.db2.gz FRHIFHODJXVQEM-KCJUWKMLSA-N 1 0 313.195 2.025 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)C1(N(C)C)CCCCC1 ZINC000091647911 193084565 /nfs/dbraw/zinc/08/45/65/193084565.db2.gz XQZPYWQLMSFGPU-CQSZACIVSA-N 1 0 304.500 2.054 10 0 DEAERO CC[NH+](CC)CCC(=O)Cc1c(Br)c(C)nn1C ZINC000091687910 193091532 /nfs/dbraw/zinc/09/15/32/193091532.db2.gz YSXCOUIQLKGRKJ-UHFFFAOYSA-N 1 0 316.243 2.335 10 0 DEAERO O=C(Cc1ccccc1Br)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714132 193096447 /nfs/dbraw/zinc/09/64/47/193096447.db2.gz CBZJDMHVJRCKSX-IUODEOHRSA-N 1 0 324.218 2.424 10 0 DEAERO O=C(Cc1cccc(Br)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714169 193097193 /nfs/dbraw/zinc/09/71/93/193097193.db2.gz SFFBDFOJUOKOGA-UKRRQHHQSA-N 1 0 324.218 2.424 10 0 DEAERO CN[C@H](c1ccc(F)c(F)c1F)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721333 193097203 /nfs/dbraw/zinc/09/72/03/193097203.db2.gz IGAXDHLQPVNMDD-MURWCNHISA-N 1 0 300.324 2.228 10 0 DEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)C1(N(C)C)CCCC1 ZINC000091637903 193083080 /nfs/dbraw/zinc/08/30/80/193083080.db2.gz CHBMFYAHKLCTEG-AWEZNQCLSA-N 1 0 304.500 2.054 10 0 DEAERO CCC(CC)([C@H](CCCS(=O)(=O)CC)[NH2+]C)N1CCCC1 ZINC000091635049 193083233 /nfs/dbraw/zinc/08/32/33/193083233.db2.gz RKSNSXLORNAUAM-HNNXBMFYSA-N 1 0 318.527 2.444 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cc(Br)ccc1F ZINC000624236566 365345148 /nfs/dbraw/zinc/34/51/48/365345148.db2.gz FREHELGYWAWVKX-AQUOVQTQSA-N 1 0 318.186 2.389 10 0 DEAERO CC(C)O[C@@H](C(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000449813709 241115865 /nfs/dbraw/zinc/11/58/65/241115865.db2.gz INUDMTLGZCHASZ-QGZVFWFLSA-N 1 0 313.401 2.198 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C12CCOCC2 ZINC000249018299 202779921 /nfs/dbraw/zinc/77/99/21/202779921.db2.gz QDAXPRLZRGLUSI-RCCFBDPRSA-N 1 0 319.445 2.154 10 0 DEAERO CC(=O)N1CC[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)c2ccccc2C1 ZINC000629543337 367241718 /nfs/dbraw/zinc/24/17/18/367241718.db2.gz YRZGSXWLWVUFJZ-XCRHUMRWSA-N 1 0 301.434 2.210 10 0 DEAERO C(c1nc(C2CCCC2)no1)C1CC[NH+](CC2OCCO2)CC1 ZINC000528577402 283940864 /nfs/dbraw/zinc/94/08/64/283940864.db2.gz HYUQDAZCVQXGRL-UHFFFAOYSA-N 1 0 321.421 2.355 10 0 DEAERO c1nc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c(C2CC2)o1 ZINC000293093013 223393698 /nfs/dbraw/zinc/39/36/98/223393698.db2.gz FDDUUIXPAVIPJL-MNOVXSKESA-N 1 0 302.334 2.138 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)ccc1C ZINC000092113768 193161381 /nfs/dbraw/zinc/16/13/81/193161381.db2.gz SKVCEGWETSCYBZ-KBPBESRZSA-N 1 0 310.463 2.381 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)ccc1F ZINC000092113604 193161643 /nfs/dbraw/zinc/16/16/43/193161643.db2.gz DTLVLHIJBMYBGX-RYUDHWBXSA-N 1 0 314.426 2.212 10 0 DEAERO CC[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113461 193161689 /nfs/dbraw/zinc/16/16/89/193161689.db2.gz NYKYUBQHWWPLGS-GHMZBOCLSA-N 1 0 314.451 2.282 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@H](C)CC)c(F)c1 ZINC000092115627 193163314 /nfs/dbraw/zinc/16/33/14/193163314.db2.gz LTHAZABOZVQBKM-LLVKDONJSA-N 1 0 302.415 2.354 10 0 DEAERO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1F ZINC000092115468 193163354 /nfs/dbraw/zinc/16/33/54/193163354.db2.gz FXMQTOMNQXZABQ-UHFFFAOYSA-N 1 0 302.415 2.354 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)c(F)c1 ZINC000092115473 193163548 /nfs/dbraw/zinc/16/35/48/193163548.db2.gz MGJHWNQHWLYUDB-UHFFFAOYSA-N 1 0 302.415 2.356 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CC2(C)C)c(F)c1 ZINC000092116020 193164551 /nfs/dbraw/zinc/16/45/51/193164551.db2.gz SVIBOAOGQUORMH-CYBMUJFWSA-N 1 0 300.399 2.012 10 0 DEAERO CC(C)N(CC1CC1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115969 193164681 /nfs/dbraw/zinc/16/46/81/193164681.db2.gz GASTVWQFKBHNLE-UHFFFAOYSA-N 1 0 300.399 2.094 10 0 DEAERO c1c(C2CC2)nn2ccnc(NCCCC[NH+]3CCOCC3)c12 ZINC000631062634 367996402 /nfs/dbraw/zinc/99/64/02/367996402.db2.gz YHUAERJJXPEDBQ-UHFFFAOYSA-N 1 0 315.421 2.131 10 0 DEAERO FC1(F)C[C@@H]1OCC[NH2+]Cc1ccncc1Br ZINC000631171234 368059131 /nfs/dbraw/zinc/05/91/31/368059131.db2.gz JGROXRTZPXLGOH-JTQLQIEISA-N 1 0 307.138 2.358 10 0 DEAERO c1nc2nc(N3CC[NH+](C4CC4)CC3)cc(-c3ccccc3)n2n1 ZINC000631078217 368004942 /nfs/dbraw/zinc/00/49/42/368004942.db2.gz FDEGQKNUNGGSRF-UHFFFAOYSA-N 1 0 320.400 2.076 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)cc2)C1 ZINC000092202812 193172943 /nfs/dbraw/zinc/17/29/43/193172943.db2.gz VGLRZTFMYRDONZ-NXEZZACHSA-N 1 0 300.280 2.470 10 0 DEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000092206758 193173693 /nfs/dbraw/zinc/17/36/93/193173693.db2.gz ATTVZJXHALUOOV-MWLCHTKSSA-N 1 0 300.280 2.105 10 0 DEAERO O[C@@H]1CCOC[C@H]1[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000631750784 368369713 /nfs/dbraw/zinc/36/97/13/368369713.db2.gz MIQBJLUPXBUZBP-IVZWLZJFSA-N 1 0 318.236 2.237 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000451496404 243029719 /nfs/dbraw/zinc/02/97/19/243029719.db2.gz LYEDPPDQGHNOAF-XYJFISCASA-N 1 0 305.418 2.300 10 0 DEAERO Brc1cnc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631890979 368445191 /nfs/dbraw/zinc/44/51/91/368445191.db2.gz VJAAEVQRDLVAKX-UWVGGRQHSA-N 1 0 316.268 2.480 10 0 DEAERO COC[C@H](O)C[N@H+](C)Cc1cc(C)c(Br)s1 ZINC000092256178 193182083 /nfs/dbraw/zinc/18/20/83/193182083.db2.gz OMYSVBGYJYOOOJ-SECBINFHSA-N 1 0 308.241 2.258 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1C[NH3+] ZINC000631968380 368472375 /nfs/dbraw/zinc/47/23/75/368472375.db2.gz USPKIGWTHZUFHN-RKDXNWHRSA-N 1 0 323.245 2.209 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000631959819 368467133 /nfs/dbraw/zinc/46/71/33/368467133.db2.gz BWYBILPJORVABT-ZDUSSCGKSA-N 1 0 300.399 2.026 10 0 DEAERO [NH3+][C@H]1CCCCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000631960468 368468004 /nfs/dbraw/zinc/46/80/04/368468004.db2.gz PQZXRZRBUCNCQG-LBPRGKRZSA-N 1 0 302.827 2.232 10 0 DEAERO O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631995385 368485187 /nfs/dbraw/zinc/48/51/87/368485187.db2.gz FNTNPYCQFNICQY-UWVGGRQHSA-N 1 0 320.867 2.164 10 0 DEAERO CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000092965214 193189857 /nfs/dbraw/zinc/18/98/57/193189857.db2.gz KSUPWOXQTSNFBM-JTQLQIEISA-N 1 0 313.829 2.342 10 0 DEAERO COCC[NH2+]C[C@@H](CCCS(C)(=O)=O)c1ccccc1C ZINC000093105601 193204603 /nfs/dbraw/zinc/20/46/03/193204603.db2.gz RHXUXAIPNKBMHR-OAHLLOKOSA-N 1 0 313.463 2.139 10 0 DEAERO CC[C@H](O)CN(Cc1ccccc1)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262321237 203261667 /nfs/dbraw/zinc/26/16/67/203261667.db2.gz CLTGMZILDAKXNG-XIRDDKMYSA-N 1 0 304.434 2.174 10 0 DEAERO [NH3+]Cc1ccc(C(=O)NC[C@@H]2COC3(CCCCCC3)O2)cc1 ZINC000262326922 203263114 /nfs/dbraw/zinc/26/31/14/203263114.db2.gz UFULYRXQJPOZKF-MRXNPFEDSA-N 1 0 318.417 2.341 10 0 DEAERO [NH3+]C[C@H](c1ccccc1F)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000093179305 193211655 /nfs/dbraw/zinc/21/16/55/193211655.db2.gz ZQLMKUQYGFNLND-ZIAGYGMSSA-N 1 0 305.374 2.439 10 0 DEAERO C[NH2+][C@H](C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C)c1cnn(C)c1 ZINC000262525839 203320310 /nfs/dbraw/zinc/32/03/10/203320310.db2.gz LIPAKFHHTYROFQ-XKQJLSEDSA-N 1 0 312.417 2.085 10 0 DEAERO Cc1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)c1 ZINC000262557974 203330538 /nfs/dbraw/zinc/33/05/38/203330538.db2.gz VLQIKYFWUYPBNL-YOEHRIQHSA-N 1 0 312.369 2.449 10 0 DEAERO Cc1nn(C)c(CO[C@@H]2CCC[C@@H]([NH3+])C2)c1Br ZINC000093217947 193217062 /nfs/dbraw/zinc/21/70/62/193217062.db2.gz ZBTBWYFUIIDJBS-NXEZZACHSA-N 1 0 302.216 2.278 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](OCC(=O)Nc2ccccc2Br)C1 ZINC000093217131 193217226 /nfs/dbraw/zinc/21/72/26/193217226.db2.gz FNJBFCJXUJWNFM-NXEZZACHSA-N 1 0 313.195 2.284 10 0 DEAERO CS(=O)(=O)Nc1ccc(Cl)c(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093212513 193217295 /nfs/dbraw/zinc/21/72/95/193217295.db2.gz UGMGFAFKTLSAOE-VHSXEESVSA-N 1 0 317.842 2.393 10 0 DEAERO CS(=O)(=O)c1ccc(Cl)c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093211605 193217457 /nfs/dbraw/zinc/21/74/57/193217457.db2.gz AXVVMSXPADOMPS-NXEZZACHSA-N 1 0 302.827 2.425 10 0 DEAERO CCC[NH2+][C@H](Cc1c(Cl)c(C)nn1CC)C(OC)OC ZINC000093305612 193227411 /nfs/dbraw/zinc/22/74/11/193227411.db2.gz LJVXHTREFLNUOP-LLVKDONJSA-N 1 0 303.834 2.394 10 0 DEAERO COc1ccc(Br)cc1[C@H]1CNC(=[NH2+])N1C1CC1 ZINC000093373538 193240472 /nfs/dbraw/zinc/24/04/72/193240472.db2.gz ZEENIYJRUHPLNA-LLVKDONJSA-N 1 0 310.195 2.292 10 0 DEAERO Cn1cncc1[C@H]1CNC(=[NH2+])N1c1ccccc1Br ZINC000093382750 193240479 /nfs/dbraw/zinc/24/04/79/193240479.db2.gz UJGFJDPPTZXOAN-GFCCVEGCSA-N 1 0 320.194 2.268 10 0 DEAERO CN(C(=O)c1sc2cccc(F)c2c1N)C1CC[NH2+]CC1 ZINC000093412056 193245763 /nfs/dbraw/zinc/24/57/63/193245763.db2.gz WQGLPBNVWUAOFD-UHFFFAOYSA-N 1 0 307.394 2.447 10 0 DEAERO NC1=[NH+]C[C@]2(CCSC2)N1c1ccc(Br)cc1 ZINC000093386503 193242093 /nfs/dbraw/zinc/24/20/93/193242093.db2.gz OEHKKLUIKGCVCR-LBPRGKRZSA-N 1 0 312.236 2.460 10 0 DEAERO C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1cccc(S(N)(=O)=O)c1 ZINC000093495930 193259956 /nfs/dbraw/zinc/25/99/56/193259956.db2.gz GDKMWYPJRMVVAP-STQMWFEESA-N 1 0 311.451 2.057 10 0 DEAERO C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(S(N)(=O)=O)cc1 ZINC000093495928 193260156 /nfs/dbraw/zinc/26/01/56/193260156.db2.gz PDJAQLPUGPBXTA-GXTWGEPZSA-N 1 0 311.451 2.057 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)c(F)c1 ZINC000093520533 193262737 /nfs/dbraw/zinc/26/27/37/193262737.db2.gz SMRRLSBJSZEURQ-SNVBAGLBSA-N 1 0 303.399 2.308 10 0 DEAERO CCCc1[nH+]c2cc(N)ccc2n1CC(C)(C)S(C)(=O)=O ZINC000093525389 193263813 /nfs/dbraw/zinc/26/38/13/193263813.db2.gz BLVYGMBEPXTNNL-UHFFFAOYSA-N 1 0 309.435 2.394 10 0 DEAERO COC(=O)[C@@]1([NH3+])CCC[C@H]1CCN(CC(F)(F)F)C1CC1 ZINC000093589902 193270754 /nfs/dbraw/zinc/27/07/54/193270754.db2.gz QMSLZQZAVZUQLA-GXFFZTMASA-N 1 0 308.344 2.074 10 0 DEAERO CC[NH2+][C@]1(CO)CCC[C@@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093618957 193275744 /nfs/dbraw/zinc/27/57/44/193275744.db2.gz TZSQLCDJZPUSBC-YPMHNXCESA-N 1 0 305.344 2.433 10 0 DEAERO NC(=O)[C@]1([NH3+])CCC[C@H]1CCSc1ccc(F)cc1F ZINC000093627351 193276252 /nfs/dbraw/zinc/27/62/52/193276252.db2.gz YFXKLOUXVGYQGL-XPTSAGLGSA-N 1 0 300.374 2.430 10 0 DEAERO CC[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093696799 193291699 /nfs/dbraw/zinc/29/16/99/193291699.db2.gz KNYQITFOCUJVQZ-HOCLYGCPSA-N 1 0 310.463 2.399 10 0 DEAERO CCC1CCC(C[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093696418 193291836 /nfs/dbraw/zinc/29/18/36/193291836.db2.gz BRVNQCUQNWEIRL-UYSNPLJNSA-N 1 0 316.511 2.464 10 0 DEAERO CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696535 193292006 /nfs/dbraw/zinc/29/20/06/193292006.db2.gz MZBOMCFCQSEVFB-CABCVRRESA-N 1 0 304.500 2.462 10 0 DEAERO CC[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093696800 193292111 /nfs/dbraw/zinc/29/21/11/193292111.db2.gz KNYQITFOCUJVQZ-GOEBONIOSA-N 1 0 310.463 2.399 10 0 DEAERO CC(C)(C)CC(C)(C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696687 193292123 /nfs/dbraw/zinc/29/21/23/193292123.db2.gz LWVTVPHAXUBUFY-ZDUSSCGKSA-N 1 0 304.500 2.462 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccsc1 ZINC000093696865 193292245 /nfs/dbraw/zinc/29/22/45/193292245.db2.gz WPUNRCYDNANQBK-NWDGAFQWSA-N 1 0 302.465 2.070 10 0 DEAERO CC[NH2+][C@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093697960 193292488 /nfs/dbraw/zinc/29/24/88/193292488.db2.gz AGSQVGVRVQOJBM-ZIAGYGMSSA-N 1 0 304.500 2.462 10 0 DEAERO C[NH2+][C@@H](CSCC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700481 193293868 /nfs/dbraw/zinc/29/38/68/193293868.db2.gz LZXIZRQNCLJUCN-UONOGXRCSA-N 1 0 322.540 2.025 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccsc1 ZINC000093699916 193294072 /nfs/dbraw/zinc/29/40/72/193294072.db2.gz HJXPDFWJILKIOU-WCQYABFASA-N 1 0 302.465 2.070 10 0 DEAERO CC(C)(C)[NH2+]CC1(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093701641 193294809 /nfs/dbraw/zinc/29/48/09/193294809.db2.gz PYVWDPXRQQOQQW-ZDUSSCGKSA-N 1 0 302.484 2.216 10 0 DEAERO C[NH2+][C@H](CCC[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093702293 193295634 /nfs/dbraw/zinc/29/56/34/193295634.db2.gz GMMHPJZDOKSTNN-UONOGXRCSA-N 1 0 304.500 2.462 10 0 DEAERO CC[NH2+][C@H](CCC[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093702272 193295933 /nfs/dbraw/zinc/29/59/33/193295933.db2.gz LYLMWZCTCSOQMW-HUUCEWRRSA-N 1 0 304.500 2.462 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C/C=C/c2ccccc2OC)CC1 ZINC000093740095 193298760 /nfs/dbraw/zinc/29/87/60/193298760.db2.gz CFLXQNUAEGALFY-JKNJVXJCSA-N 1 0 304.434 2.097 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000093739903 193298874 /nfs/dbraw/zinc/29/88/74/193298874.db2.gz QFBXJIAYRUTKNU-ZDUSSCGKSA-N 1 0 300.805 2.368 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093777610 193305068 /nfs/dbraw/zinc/30/50/68/193305068.db2.gz YFNKPTJRHLNQOK-MEBBXXQBSA-N 1 0 304.419 2.041 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2nccc(C)n2)C1 ZINC000093779101 193306111 /nfs/dbraw/zinc/30/61/11/193306111.db2.gz AMCIUBCSQMOUCD-WFASDCNBSA-N 1 0 308.451 2.043 10 0 DEAERO CC[NH2+][C@]1(CO)CCC[C@H](Sc2nnc3ccccn32)C1 ZINC000093786109 193307540 /nfs/dbraw/zinc/30/75/40/193307540.db2.gz DYGXFFWBXSYECD-SWLSCSKDSA-N 1 0 306.435 2.105 10 0 DEAERO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc2c1OCCO2 ZINC000093644087 193281192 /nfs/dbraw/zinc/28/11/92/193281192.db2.gz YEAFUPZMNRWXJN-UKRRQHHQSA-N 1 0 320.433 2.381 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CCOC(C)C)cc1 ZINC000093665831 193287721 /nfs/dbraw/zinc/28/77/21/193287721.db2.gz ULSUJVHDMCMNDK-LBPRGKRZSA-N 1 0 300.424 2.134 10 0 DEAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)c1ccccc1Cl ZINC000094006460 193338311 /nfs/dbraw/zinc/33/83/11/193338311.db2.gz WNMVTLYZDCSTRO-UHFFFAOYSA-N 1 0 316.854 2.380 10 0 DEAERO CCOC(=O)[C@]1(N)CC[C@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093831898 193314635 /nfs/dbraw/zinc/31/46/35/193314635.db2.gz DEPLTBTXVPMNKF-GVXVVHGQSA-N 1 0 308.344 2.074 10 0 DEAERO CCOC(=O)[C@]1(N)CC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093831934 193315306 /nfs/dbraw/zinc/31/53/06/193315306.db2.gz FATSYPAJORRTNC-YPMHNXCESA-N 1 0 308.344 2.074 10 0 DEAERO COc1ccccc1S[C@H]1CC[C@@]([NH2+]C2CC2)(C(N)=O)C1 ZINC000093851856 193318617 /nfs/dbraw/zinc/31/86/17/193318617.db2.gz IFOUAXFZJRBZAN-LRDDRELGSA-N 1 0 306.431 2.316 10 0 DEAERO C[NH2+][C@]1(CO)CC[C@@H](Sc2nc3cc(OC)ccc3[nH]2)C1 ZINC000093860441 193319837 /nfs/dbraw/zinc/31/98/37/193319837.db2.gz GUEVGVJHYIYQGI-IAQYHMDHSA-N 1 0 307.419 2.167 10 0 DEAERO CC[NH2+][C@]1(CO)CC[C@H](n2nc(C)c(Br)c2C)C1 ZINC000093857655 193320213 /nfs/dbraw/zinc/32/02/13/193320213.db2.gz SPGSOFLYYJLLQI-WCQYABFASA-N 1 0 316.243 2.328 10 0 DEAERO C[NH2+][C@H](Cc1csc2ccccc12)[C@H]1CN(C)CCN1C ZINC000093894375 193323520 /nfs/dbraw/zinc/32/35/20/193323520.db2.gz REZTZWMFEFAOAL-HZPDHXFCSA-N 1 0 303.475 2.278 10 0 DEAERO C[NH2+][C@@H](c1ccccc1C(F)(F)F)[C@H]1CN(C)CCN1C ZINC000093894705 193325493 /nfs/dbraw/zinc/32/54/93/193325493.db2.gz QACYFNSDJBGOEE-KGLIPLIRSA-N 1 0 301.356 2.212 10 0 DEAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1F)[C@@H]1CN(CC)CCO1 ZINC000093914681 193328775 /nfs/dbraw/zinc/32/87/75/193328775.db2.gz HHGVZMQQCAAYGW-WFASDCNBSA-N 1 0 302.340 2.475 10 0 DEAERO CN(CC1CC[NH2+]CC1)C(=O)c1ccc(Br)o1 ZINC000094021827 193339249 /nfs/dbraw/zinc/33/92/49/193339249.db2.gz KRHGOYQOHOLFCM-UHFFFAOYSA-N 1 0 301.184 2.114 10 0 DEAERO CN(CCS(C)(=O)=O)[C@@]1(C[NH3+])CCC[C@H](C(C)(C)C)CC1 ZINC000094297817 193356927 /nfs/dbraw/zinc/35/69/27/193356927.db2.gz HNJMZYWNDGRABW-HOCLYGCPSA-N 1 0 318.527 2.287 10 0 DEAERO [NH3+]C1(CC(=O)Nc2ccc(Sc3nc[nH]n3)cc2)CCC1 ZINC000094294147 193357011 /nfs/dbraw/zinc/35/70/11/193357011.db2.gz RKRGXYSVXKAXLA-UHFFFAOYSA-N 1 0 303.391 2.166 10 0 DEAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1CN(C)CCS(C)(=O)=O ZINC000094300343 193357808 /nfs/dbraw/zinc/35/78/08/193357808.db2.gz VQOIWJLWDFHRFD-ARFHVFGLSA-N 1 0 318.527 2.013 10 0 DEAERO CC(C)[NH2+]CC1(CN(C)CCS(C)(=O)=O)CCCCCC1 ZINC000094300596 193358399 /nfs/dbraw/zinc/35/83/99/193358399.db2.gz AMQYZIWHEGGSSL-UHFFFAOYSA-N 1 0 318.527 2.301 10 0 DEAERO CC(C)N(C)C(=O)COc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350114 193363072 /nfs/dbraw/zinc/36/30/72/193363072.db2.gz BXLMUFHSZPWRHD-JTQLQIEISA-N 1 0 300.349 2.100 10 0 DEAERO COC(=O)C(C)(C)COc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350355 193363150 /nfs/dbraw/zinc/36/31/50/193363150.db2.gz QAWYLPBKAHPGMC-VIFPVBQESA-N 1 0 301.333 2.433 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(OC[C@@H](O)COCC)c(F)c1 ZINC000094347094 193363261 /nfs/dbraw/zinc/36/32/61/193363261.db2.gz LYGPAXSWONSGRA-LBPRGKRZSA-N 1 0 303.349 2.241 10 0 DEAERO CCNC(=O)[C@@H](C)Oc1c(F)cc(C[NH2+]C(C)C)cc1F ZINC000094347339 193363352 /nfs/dbraw/zinc/36/33/52/193363352.db2.gz LBJVTIVVPGBITR-SNVBAGLBSA-N 1 0 300.349 2.366 10 0 DEAERO CCN(CC)C(=O)[C@@H](C)Oc1c(F)cc(C[NH2+]C)cc1F ZINC000094346354 193363551 /nfs/dbraw/zinc/36/35/51/193363551.db2.gz FJOJUHPSMMESMM-SNVBAGLBSA-N 1 0 300.349 2.320 10 0 DEAERO Nc1cc(Br)ccc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000094047798 193341640 /nfs/dbraw/zinc/34/16/40/193341640.db2.gz ADXBPJZDXMPGDG-GFCCVEGCSA-N 1 0 310.239 2.358 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1c1nc(-c2ncc(Cl)cc2Cl)no1 ZINC000094199325 193348697 /nfs/dbraw/zinc/34/86/97/193348697.db2.gz LVJLRYQEIPGZKS-VXNVDRBHSA-N 1 0 315.160 2.140 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)c1cccc(F)c1 ZINC000094624793 193385556 /nfs/dbraw/zinc/38/55/56/193385556.db2.gz RMIQSBUAELYIJK-HZPDHXFCSA-N 1 0 305.374 2.485 10 0 DEAERO CCC1CCC(O)(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094636193 193385954 /nfs/dbraw/zinc/38/59/54/193385954.db2.gz BSBGEOAGHBFASS-PWUWZPNHSA-N 1 0 317.495 2.263 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H](OC[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000094638018 193387234 /nfs/dbraw/zinc/38/72/34/193387234.db2.gz MZHSINXXKNAUKJ-CBBWQLFWSA-N 1 0 303.468 2.124 10 0 DEAERO C[C@H]([NH3+])Cc1ccc(O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000094643227 193388567 /nfs/dbraw/zinc/38/85/67/193388567.db2.gz HYYDIWLEFLQYMK-MAZHCROVSA-N 1 0 311.447 2.311 10 0 DEAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccc(Br)cn1 ZINC000094696999 193391450 /nfs/dbraw/zinc/39/14/50/193391450.db2.gz SGJSSDOJPUOLMT-VIFPVBQESA-N 1 0 300.200 2.404 10 0 DEAERO COC(=O)C1CC[NH+]([C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094410510 193367708 /nfs/dbraw/zinc/36/77/08/193367708.db2.gz HSDSNLBMUGEVCL-CQSZACIVSA-N 1 0 313.463 2.316 10 0 DEAERO CC[C@@H](C)[C@H]1CN(CCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094420609 193368701 /nfs/dbraw/zinc/36/87/01/193368701.db2.gz ZMMZQLBPBIYYHY-UKRRQHHQSA-N 1 0 310.463 2.056 10 0 DEAERO CC1(C)CSC[C@H]([NH2+][C@H]2CCCc3c2cnn3CCO)C1 ZINC000094488159 193372684 /nfs/dbraw/zinc/37/26/84/193372684.db2.gz VHFAMIXDZQIRNL-OCCSQVGLSA-N 1 0 309.479 2.374 10 0 DEAERO FC(F)(F)CCc1noc([C@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000094492248 193373250 /nfs/dbraw/zinc/37/32/50/193373250.db2.gz ZNDKRFDNDQJPJD-QMMMGPOBSA-N 1 0 303.206 2.358 10 0 DEAERO CC[NH2+][C@H](Cc1nn(C)c2ccccc12)[C@H]1CSCCO1 ZINC000094504044 193374544 /nfs/dbraw/zinc/37/45/44/193374544.db2.gz SRAHDRWIMDXVBG-GDBMZVCRSA-N 1 0 305.447 2.226 10 0 DEAERO CC[NH2+][C@H](Cc1ncc(C)c(OC)c1C)[C@@H]1CSCCO1 ZINC000094503458 193374866 /nfs/dbraw/zinc/37/48/66/193374866.db2.gz ZDDDAWZLVGYGBO-CABCVRRESA-N 1 0 310.463 2.360 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(Cl)s1)[C@@H]1CN2CCN1CC2 ZINC000094510564 193375096 /nfs/dbraw/zinc/37/50/96/193375096.db2.gz PBLSQEIMPSRNGK-KBPBESRZSA-N 1 0 313.898 2.312 10 0 DEAERO C[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)[C@H]1CN2CCN1CC2 ZINC000094509179 193376066 /nfs/dbraw/zinc/37/60/66/193376066.db2.gz CQXMTVLGRBLTPW-LSDHHAIUSA-N 1 0 314.260 2.124 10 0 DEAERO C[NH2+][C@@H](c1cccc(Cl)c1Cl)[C@H]1CN2CCN1CC2 ZINC000094509147 193376256 /nfs/dbraw/zinc/37/62/56/193376256.db2.gz HVAHYZAVLCEJFF-OCCSQVGLSA-N 1 0 300.233 2.254 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000094549679 193378853 /nfs/dbraw/zinc/37/88/53/193378853.db2.gz HGKBDWJVMBSFJO-UFBFGSQYSA-N 1 0 315.186 2.398 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000094550199 193378986 /nfs/dbraw/zinc/37/89/86/193378986.db2.gz RWMKUYTZAVLHPS-VHSXEESVSA-N 1 0 322.352 2.063 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccccc2OC(F)(F)F)O1 ZINC000094563414 193380571 /nfs/dbraw/zinc/38/05/71/193380571.db2.gz PEJRKGQBYJHTOB-GZMMTYOYSA-N 1 0 304.268 2.030 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccccc2OC(F)(F)F)O1 ZINC000094563412 193380717 /nfs/dbraw/zinc/38/07/17/193380717.db2.gz PEJRKGQBYJHTOB-LDYMZIIASA-N 1 0 304.268 2.030 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2c3ncsc3ccc2Cl)O1 ZINC000094565874 193380735 /nfs/dbraw/zinc/38/07/35/193380735.db2.gz JVCUKZXTHWOWPK-VXNVDRBHSA-N 1 0 311.794 2.395 10 0 DEAERO [NH3+]Cc1ccc(C(=O)NCc2ccc(Br)s2)o1 ZINC000094569265 193380823 /nfs/dbraw/zinc/38/08/23/193380823.db2.gz AUSTXSDFZKBWAA-UHFFFAOYSA-N 1 0 315.192 2.492 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)cc1C(F)(F)F ZINC000094570930 193381712 /nfs/dbraw/zinc/38/17/12/193381712.db2.gz RFQWMPSMPMTZCI-ZYHUDNBSSA-N 1 0 302.296 2.459 10 0 DEAERO CC(C)C[C@@H](C[NH3+])Nc1nc2c(Br)cccn2n1 ZINC000094608302 193384395 /nfs/dbraw/zinc/38/43/95/193384395.db2.gz VKZAEMKTVVQQEF-VIFPVBQESA-N 1 0 312.215 2.277 10 0 DEAERO C[C@H]1CC[C@@H](C[NH3+])CN1c1nc2ccc(Br)cn2n1 ZINC000094608457 193384560 /nfs/dbraw/zinc/38/45/60/193384560.db2.gz UTSHBSKHTYUYBT-UWVGGRQHSA-N 1 0 324.226 2.055 10 0 DEAERO CC1CCC(C[NH3+])(O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634074 193385163 /nfs/dbraw/zinc/38/51/63/193385163.db2.gz UMGJENGCCREVBP-FUUBYGMNSA-N 1 0 303.468 2.266 10 0 DEAERO Cc1cscc1CNS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000094880672 193404433 /nfs/dbraw/zinc/40/44/33/193404433.db2.gz IFLYTZTYPNBWMH-CYBMUJFWSA-N 1 0 302.465 2.008 10 0 DEAERO CCCNS(=O)(=O)c1ccc(NC[C@H](CC)CC[NH3+])cc1 ZINC000094962487 193409471 /nfs/dbraw/zinc/40/94/71/193409471.db2.gz AHOVSIHVKJFRNS-CYBMUJFWSA-N 1 0 313.467 2.162 10 0 DEAERO CCC[NH2+]C[C@@H](Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000094976302 193410255 /nfs/dbraw/zinc/41/02/55/193410255.db2.gz JGFPQZFCIIWTNM-QWHCGFSZSA-N 1 0 316.492 2.045 10 0 DEAERO C[NH2+][C@H](CCO)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095075727 193417676 /nfs/dbraw/zinc/41/76/76/193417676.db2.gz UVCSAYNXUZTINY-MRXNPFEDSA-N 1 0 306.406 2.006 10 0 DEAERO CS(=O)(=O)c1ccc2[nH]c([C@@H]3CCCCC[C@H]3[NH3+])nc2c1 ZINC000094745883 193394904 /nfs/dbraw/zinc/39/49/04/193394904.db2.gz SQDVBSMXTZZOEB-VXGBXAGGSA-N 1 0 307.419 2.341 10 0 DEAERO C[C@@]1(C[NH2+]Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CCCO1 ZINC000094801624 193399287 /nfs/dbraw/zinc/39/92/87/193399287.db2.gz HYOGOTBCZNNIER-HNNXBMFYSA-N 1 0 307.781 2.235 10 0 DEAERO COc1ccc(OC)c([C@H](C[NH3+])S(=O)(=O)c2ccccc2)c1 ZINC000008037519 181521071 /nfs/dbraw/zinc/52/10/71/181521071.db2.gz QJHQUAFQOZMCQO-INIZCTEOSA-N 1 0 321.398 2.178 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1ccc(C(F)(F)F)cn1 ZINC000097218211 193693817 /nfs/dbraw/zinc/69/38/17/193693817.db2.gz NJNUWSHDTNSTFL-SNVBAGLBSA-N 1 0 310.341 2.315 10 0 DEAERO C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCCC3)C[C@@H]1[NH+](C)C ZINC000266159727 205147583 /nfs/dbraw/zinc/14/75/83/205147583.db2.gz ILJSFSXLOLZXIJ-WBMJQRKESA-N 1 0 317.433 2.078 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc2cccnc2c1 ZINC000097344970 193709017 /nfs/dbraw/zinc/70/90/17/193709017.db2.gz KAVGCVKMDHDSRK-SWLSCSKDSA-N 1 0 304.415 2.320 10 0 DEAERO CC(C)N(CC[NH+](C)C)C(=O)c1ncsc1Br ZINC000288515089 220191399 /nfs/dbraw/zinc/19/13/99/220191399.db2.gz CGDTZNQHTKBXPQ-UHFFFAOYSA-N 1 0 320.256 2.318 10 0 DEAERO C[C@@H]1CN([C@H](C[NH3+])c2ccccc2OC(F)F)C[C@@H](C)O1 ZINC000019803237 182151709 /nfs/dbraw/zinc/15/17/09/182151709.db2.gz YTYCUDHPYYWDSF-NQBHXWOUSA-N 1 0 300.349 2.397 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Br)cc1)N1CCSCC1 ZINC000020257084 182200834 /nfs/dbraw/zinc/20/08/34/182200834.db2.gz UXLABRDIVJMMIM-LBPRGKRZSA-N 1 0 301.253 2.498 10 0 DEAERO CSc1nc(NCCc2cc(F)cc(F)c2)cc(NN)[nH+]1 ZINC000160043810 197381765 /nfs/dbraw/zinc/38/17/65/197381765.db2.gz XPHFWKUEQYMFRS-UHFFFAOYSA-N 1 0 311.361 2.417 10 0 DEAERO Fc1ccc(OCC[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000530524902 284434698 /nfs/dbraw/zinc/43/46/98/284434698.db2.gz JDACDACDELSZPP-ROUUACIJSA-N 1 0 322.424 2.438 10 0 DEAERO CC(C)C[NH2+]Cc1cc(Br)ccc1OCC(N)=O ZINC000020873072 182250752 /nfs/dbraw/zinc/25/07/52/182250752.db2.gz KMJCQKKHSMVHQZ-UHFFFAOYSA-N 1 0 315.211 2.059 10 0 DEAERO CCCC[C@H]([NH2+]CCNS(C)(=O)=O)c1ccc(F)cc1 ZINC000021013794 182260551 /nfs/dbraw/zinc/26/05/51/182260551.db2.gz BFVXFIZORLNKJH-AWEZNQCLSA-N 1 0 302.415 2.196 10 0 DEAERO [NH3+]Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000021507616 182275844 /nfs/dbraw/zinc/27/58/44/182275844.db2.gz JQAHLZVKCCKSIK-UHFFFAOYSA-N 1 0 302.399 2.435 10 0 DEAERO C[C@@H]1CN([C@H](C[NH3+])c2ccc(Br)o2)C[C@H](C)O1 ZINC000022215195 182313592 /nfs/dbraw/zinc/31/35/92/182313592.db2.gz RQKWILGPCSQRSX-KXUCPTDWSA-N 1 0 303.200 2.151 10 0 DEAERO CN(C)C1(C[NH2+]C[C@H](O)COc2cccc(Cl)c2)CCC1 ZINC000097930894 193767842 /nfs/dbraw/zinc/76/78/42/193767842.db2.gz XAOZIAOMSZHWQN-AWEZNQCLSA-N 1 0 312.841 2.154 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc(Br)cc1F)[S@@](C)=O ZINC000159809090 197366710 /nfs/dbraw/zinc/36/67/10/197366710.db2.gz CJSAOKZXCOLHHC-PWJLMRLQSA-N 1 0 308.216 2.445 10 0 DEAERO CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000036950969 182854577 /nfs/dbraw/zinc/85/45/77/182854577.db2.gz NSNQFLPXHANXIM-SECBINFHSA-N 1 0 308.603 2.452 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000457841040 248040603 /nfs/dbraw/zinc/04/06/03/248040603.db2.gz HFISIQWIAOCERW-MRXNPFEDSA-N 1 0 318.417 2.336 10 0 DEAERO COC[C@H](NC(=O)NC(C)(C)C[NH+](C)C)c1ccc(F)cc1 ZINC000458466934 248325252 /nfs/dbraw/zinc/32/52/52/248325252.db2.gz MRRNOFNUPKBBCX-AWEZNQCLSA-N 1 0 311.401 2.153 10 0 DEAERO CNC(=O)[C@H](C)Oc1c(Cl)cc(Cl)cc1C[C@@H](C)[NH3+] ZINC000037728997 182921136 /nfs/dbraw/zinc/92/11/36/182921136.db2.gz UABMSAXBAMHCSQ-SFYZADRCSA-N 1 0 305.205 2.396 10 0 DEAERO C[NH+](C)CCOC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000040312297 183053314 /nfs/dbraw/zinc/05/33/14/183053314.db2.gz SGPBRRSLDVEOCG-UHFFFAOYSA-N 1 0 301.268 2.300 10 0 DEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)ccc2F)C1 ZINC000040452315 183068470 /nfs/dbraw/zinc/06/84/70/183068470.db2.gz NNFIHITXKWMGPP-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO CC(C)[C@@H](CNC(=O)c1cc(Br)cn1C)[NH+](C)C ZINC000040430618 183066067 /nfs/dbraw/zinc/06/60/67/183066067.db2.gz FMVULNODSXWANS-GFCCVEGCSA-N 1 0 316.243 2.104 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cn2C)C1 ZINC000040503697 183084646 /nfs/dbraw/zinc/08/46/46/183084646.db2.gz QHVVIPIUUAWPQT-NSHDSACASA-N 1 0 314.227 2.002 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc3nc(SC)sc3c2)C1 ZINC000040632873 183111356 /nfs/dbraw/zinc/11/13/56/183111356.db2.gz DMRXGIXEPTWSJK-KOLCDFICSA-N 1 0 323.443 2.334 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2c3ncsc3ccc2Cl)C1 ZINC000040632735 183111820 /nfs/dbraw/zinc/11/18/20/183111820.db2.gz JEDIJPLIOFRBRF-APPZFPTMSA-N 1 0 311.794 2.265 10 0 DEAERO CC(C)C[C@H](CO)[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000040777843 183132602 /nfs/dbraw/zinc/13/26/02/183132602.db2.gz GPLCAGHBZVFQAJ-HZPDHXFCSA-N 1 0 315.841 2.214 10 0 DEAERO COC(C)(C)C[C@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000173817310 284651033 /nfs/dbraw/zinc/65/10/33/284651033.db2.gz JQFLSULQJASKPS-HOCLYGCPSA-N 1 0 306.450 2.479 10 0 DEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(F)cc1Cl ZINC000040750239 183128596 /nfs/dbraw/zinc/12/85/96/183128596.db2.gz LTLAQKNHMSYSHS-YOGCLGLASA-N 1 0 311.788 2.372 10 0 DEAERO CC[NH+]1CCN(CCNc2ccc(Br)cc2)CC1 ZINC000041563171 183203051 /nfs/dbraw/zinc/20/30/51/183203051.db2.gz XADLJVJVJGGGIO-UHFFFAOYSA-N 1 0 312.255 2.499 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000041924802 183225926 /nfs/dbraw/zinc/22/59/26/183225926.db2.gz GQEAFBLNRWSLMI-FZMZJTMJSA-N 1 0 321.396 2.098 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000042166610 183238077 /nfs/dbraw/zinc/23/80/77/183238077.db2.gz KRQVSIOMZMCUIL-LLVKDONJSA-N 1 0 305.769 2.001 10 0 DEAERO CCOCCOC[C@@H](O)C[NH2+][C@@H](c1cccs1)C(C)C ZINC000042320354 183254514 /nfs/dbraw/zinc/25/45/14/183254514.db2.gz NGYVCMGWPZHEPO-DZGCQCFKSA-N 1 0 301.452 2.449 10 0 DEAERO CC(C)(C)NC(=O)COc1c(Br)cccc1C[NH3+] ZINC000042411357 183265513 /nfs/dbraw/zinc/26/55/13/183265513.db2.gz JOFLMNBQOXGGRC-UHFFFAOYSA-N 1 0 315.211 2.201 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1OCc1nccn1C ZINC000042411585 183265798 /nfs/dbraw/zinc/26/57/98/183265798.db2.gz FGIIBMWHVBMPKA-UHFFFAOYSA-N 1 0 310.195 2.481 10 0 DEAERO COCCCN(CCOC)[C@@H](C[NH3+])c1ccc(SC)cc1 ZINC000042420980 183267328 /nfs/dbraw/zinc/26/73/28/183267328.db2.gz DKIFWRHXTKSQNT-INIZCTEOSA-N 1 0 312.479 2.393 10 0 DEAERO CC(C)[N@H+](CCCO)CCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000042482948 183275340 /nfs/dbraw/zinc/27/53/40/183275340.db2.gz SDGPLWINJFANPE-UHFFFAOYSA-N 1 0 313.829 2.344 10 0 DEAERO CC(C)[N@H+](CCCO)[C@@H](C)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000042482945 183275559 /nfs/dbraw/zinc/27/55/59/183275559.db2.gz LEBPKTKAJNXWSY-NSHDSACASA-N 1 0 313.829 2.342 10 0 DEAERO CCN(CCOC)[C@H](C[NH3+])c1ccccc1Br ZINC000042492641 183276376 /nfs/dbraw/zinc/27/63/76/183276376.db2.gz CIWHYFNGVBATME-CYBMUJFWSA-N 1 0 301.228 2.417 10 0 DEAERO COC[C@H](O)CN(C)c1cccc(Cl)c1C[NH2+]C(C)C ZINC000042511615 183278402 /nfs/dbraw/zinc/27/84/02/183278402.db2.gz IMMQKLBESXQFPX-GFCCVEGCSA-N 1 0 300.830 2.282 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000042549374 183283849 /nfs/dbraw/zinc/28/38/49/183283849.db2.gz TVRGLTRRQPNITP-LLVKDONJSA-N 1 0 314.227 2.095 10 0 DEAERO CCCC[N@H+](CCC(=O)N(C)CCC(N)=S)[C@@H](C)CC ZINC000042607562 183290614 /nfs/dbraw/zinc/29/06/14/183290614.db2.gz RSTMQHQDDNMPHS-ZDUSSCGKSA-N 1 0 301.500 2.412 10 0 DEAERO CCN(CC(F)(F)F)[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000042739559 183303854 /nfs/dbraw/zinc/30/38/54/183303854.db2.gz GVCKYLMWCSFESA-JTQLQIEISA-N 1 0 303.328 2.357 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)CN(CC(F)(F)F)C2CC2)cc1 ZINC000042740757 183303999 /nfs/dbraw/zinc/30/39/99/183303999.db2.gz XNOSKPCQGOGLNT-UHFFFAOYSA-N 1 0 301.312 2.111 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)NC1CC1 ZINC000042945175 183320084 /nfs/dbraw/zinc/32/00/84/183320084.db2.gz WPAXAGKPHJSHCY-GDBMZVCRSA-N 1 0 309.841 2.329 10 0 DEAERO CNC(=O)C1CCN([C@H](c2ccccc2Cl)[C@@H](C)[NH3+])CC1 ZINC000043051537 183332575 /nfs/dbraw/zinc/33/25/75/183332575.db2.gz ZPEMKXUDJOQATD-ABAIWWIYSA-N 1 0 309.841 2.186 10 0 DEAERO COc1ccccc1[C@@H](Sc1nnnn1C1CC1)[C@H](C)[NH3+] ZINC000043101084 183338571 /nfs/dbraw/zinc/33/85/71/183338571.db2.gz DNNMBNQTVFQBSG-ZANVPECISA-N 1 0 305.407 2.197 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCC[C@@H]1C(=O)N(C)C ZINC000043252785 183348306 /nfs/dbraw/zinc/34/83/06/183348306.db2.gz JIQRBIHCLCHNPY-BREBYQMCSA-N 1 0 315.870 2.342 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Br)s1)N1CCC(CO)CC1 ZINC000043259490 183349172 /nfs/dbraw/zinc/34/91/72/183349172.db2.gz ZQOPPFBXSZPRBO-JTQLQIEISA-N 1 0 319.268 2.215 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)s1)n1cncn1 ZINC000043263215 183349240 /nfs/dbraw/zinc/34/92/40/183349240.db2.gz PWWMZANEIHLPFL-OIBJUYFYSA-N 1 0 301.213 2.429 10 0 DEAERO [NH3+][C@@H](c1ccc(Br)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043299833 183351506 /nfs/dbraw/zinc/35/15/06/183351506.db2.gz XABPTPWGEBQVHZ-RDDDGLTNSA-N 1 0 322.199 2.023 10 0 DEAERO [NH3+][C@H](c1cc(Br)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043299754 183351614 /nfs/dbraw/zinc/35/16/14/183351614.db2.gz XLFFUEWUIFDXEZ-HQJQHLMTSA-N 1 0 322.199 2.023 10 0 DEAERO CCCc1cc(=O)[nH]c(S[C@H]([C@H]([NH3+])CC)C(F)(F)F)n1 ZINC000043385737 183357893 /nfs/dbraw/zinc/35/78/93/183357893.db2.gz MDOZHZWDWARSLK-PSASIEDQSA-N 1 0 309.357 2.483 10 0 DEAERO COCCN(CCOC)[C@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390389 183358325 /nfs/dbraw/zinc/35/83/25/183358325.db2.gz DYBQGKNKJZUDQM-CQSZACIVSA-N 1 0 304.793 2.074 10 0 DEAERO Nc1cc(Br)ccc1SCCN1CC[NH2+]CC1 ZINC000043500705 183367267 /nfs/dbraw/zinc/36/72/67/183367267.db2.gz NTPQHUFCUZQTMW-UHFFFAOYSA-N 1 0 316.268 2.029 10 0 DEAERO COC(=O)[C@@H](C)Oc1c(Cl)cc(C[C@@H](C)[NH3+])cc1OC ZINC000043631083 183375994 /nfs/dbraw/zinc/37/59/94/183375994.db2.gz OCUNDPGIPWYGIS-RKDXNWHRSA-N 1 0 301.770 2.179 10 0 DEAERO Cc1cc(OC[C@H](O)C[NH2+]CC(C)(C)N(C)C)ccc1Cl ZINC000043411276 183360083 /nfs/dbraw/zinc/36/00/83/183360083.db2.gz SVQYBBZLXMFGCE-CYBMUJFWSA-N 1 0 314.857 2.318 10 0 DEAERO CCCN(CC(F)(F)F)[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043983431 183392030 /nfs/dbraw/zinc/39/20/30/183392030.db2.gz JAFKLIUJBHTSET-RYUDHWBXSA-N 1 0 310.360 2.144 10 0 DEAERO CCCCOCCO[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000044070635 183393406 /nfs/dbraw/zinc/39/34/06/183393406.db2.gz APVYWAMVMFWLSZ-LSDHHAIUSA-N 1 0 301.427 2.093 10 0 DEAERO C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000044594646 183426124 /nfs/dbraw/zinc/42/61/24/183426124.db2.gz OAEOGDOLZFCMHX-UKRRQHHQSA-N 1 0 310.463 2.292 10 0 DEAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@@H](C)COCC)c1 ZINC000044728259 183436017 /nfs/dbraw/zinc/43/60/17/183436017.db2.gz VGLFSSWRPSVPPX-QWHCGFSZSA-N 1 0 314.451 2.060 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@@H](C)COCC)cc1 ZINC000044728251 183436463 /nfs/dbraw/zinc/43/64/63/183436463.db2.gz HEHQVFWGTJNEOB-QWHCGFSZSA-N 1 0 314.451 2.060 10 0 DEAERO Cc1cc([C@H](C)NS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)c(C)o1 ZINC000044731569 183436485 /nfs/dbraw/zinc/43/64/85/183436485.db2.gz HZJGFPRCGLCVPE-JSGCOSHPSA-N 1 0 314.451 2.409 10 0 DEAERO [NH3+][C@@H]1C[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000159797986 197365028 /nfs/dbraw/zinc/36/50/28/197365028.db2.gz QXVOUSCJPBAULR-RKDXNWHRSA-N 1 0 323.112 2.297 10 0 DEAERO CCCN[C@H](C[N@H+](CCOC)C(CC)CC)C(=O)OCC ZINC000045426726 183507060 /nfs/dbraw/zinc/50/70/60/183507060.db2.gz FTJAJIYLJOAHOT-OAHLLOKOSA-N 1 0 302.459 2.055 10 0 DEAERO CC(C)[NH2+][C@@](C)(CCSc1nc2ccccc2[nH]1)C(N)=O ZINC000045559174 183515424 /nfs/dbraw/zinc/51/54/24/183515424.db2.gz PYPJSDHKODYCOH-HNNXBMFYSA-N 1 0 306.435 2.287 10 0 DEAERO Cc1cccc(OCC[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000284735271 218154187 /nfs/dbraw/zinc/15/41/87/218154187.db2.gz INZGUJDMHVCDEH-KSZLIROESA-N 1 0 305.418 2.236 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCc2ncccc2C)CC1 ZINC000105215319 194085526 /nfs/dbraw/zinc/08/55/26/194085526.db2.gz PVZCVUZASAKCLX-UHFFFAOYSA-N 1 0 304.438 2.311 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)Nc1cccc2ncccc21 ZINC000105235800 194087815 /nfs/dbraw/zinc/08/78/15/194087815.db2.gz QUMJPLLCSBXGMA-UHFFFAOYSA-N 1 0 307.419 2.365 10 0 DEAERO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000105566487 194110757 /nfs/dbraw/zinc/11/07/57/194110757.db2.gz PIIASMLOODDSSS-GFCCVEGCSA-N 1 0 316.323 2.196 10 0 DEAERO CC[C@H]1CN(CCCOc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000105825905 194138311 /nfs/dbraw/zinc/13/83/11/194138311.db2.gz OQNBXYLOEBMZOT-SJORKVTESA-N 1 0 306.450 2.233 10 0 DEAERO CC(C)(C)[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000105854746 194148043 /nfs/dbraw/zinc/14/80/43/194148043.db2.gz QEUGKQOKWSQDBF-UHFFFAOYSA-N 1 0 309.841 2.377 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000105881476 194155749 /nfs/dbraw/zinc/15/57/49/194155749.db2.gz BTMWEFNVDUYESJ-LLVKDONJSA-N 1 0 308.332 2.087 10 0 DEAERO CC(C)OCCC[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105915800 194167809 /nfs/dbraw/zinc/16/78/09/194167809.db2.gz RMTDCHFWOJCGIV-UHFFFAOYSA-N 1 0 308.470 2.094 10 0 DEAERO CC[C@@H]1CN(Cc2ccc(OC)c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000106104136 194186228 /nfs/dbraw/zinc/18/62/28/194186228.db2.gz AOZAPRVCUUATBY-UKRRQHHQSA-N 1 0 310.413 2.111 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cn3ccccc3n2)C[C@@H]1CC ZINC000106117146 194188154 /nfs/dbraw/zinc/18/81/54/194188154.db2.gz NVHMPOKSIUJLMS-KRWDZBQOSA-N 1 0 316.449 2.267 10 0 DEAERO [NH3+]CCOc1ccccc1NS(=O)(=O)CC1CCCCC1 ZINC000049042978 183704627 /nfs/dbraw/zinc/70/46/27/183704627.db2.gz BICYXDSNVFRQSX-UHFFFAOYSA-N 1 0 312.435 2.346 10 0 DEAERO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc3ccc(C)cc3[nH]2)[N@H+](C)C1 ZINC000285266596 218358710 /nfs/dbraw/zinc/35/87/10/218358710.db2.gz PMOXRIIETGEYIC-GJZGRUSLSA-N 1 0 315.417 2.267 10 0 DEAERO CN(Cc1ccsc1)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000049643361 183751278 /nfs/dbraw/zinc/75/12/78/183751278.db2.gz KIQNBDPAVHVXSI-ZDUSSCGKSA-N 1 0 302.465 2.042 10 0 DEAERO CCNC(=O)NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000050273691 183781309 /nfs/dbraw/zinc/78/13/09/183781309.db2.gz SIBHZTAMTSDNMR-AWEZNQCLSA-N 1 0 309.797 2.226 10 0 DEAERO Cn1cnnc1CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000109422783 194262520 /nfs/dbraw/zinc/26/25/20/194262520.db2.gz NFJHMUFFTGTOJQ-ZDUSSCGKSA-N 1 0 321.222 2.397 10 0 DEAERO C[C@H]([NH3+])c1cccc(S(=O)(=O)N2Cc3ccccc3C2)c1 ZINC000050912705 183807518 /nfs/dbraw/zinc/80/75/18/183807518.db2.gz HMQNHJSFHDABHQ-LBPRGKRZSA-N 1 0 302.399 2.411 10 0 DEAERO Cc1cccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)c1 ZINC000109540452 194272284 /nfs/dbraw/zinc/27/22/84/194272284.db2.gz NFDAYLHKAVKRTH-UHFFFAOYSA-N 1 0 308.378 2.071 10 0 DEAERO NNc1cc(C(=O)NCc2cccc(Br)c2)cc[nH+]1 ZINC000051125718 183816292 /nfs/dbraw/zinc/81/62/92/183816292.db2.gz RVGBVSPCDNJHDB-UHFFFAOYSA-N 1 0 321.178 2.060 10 0 DEAERO C[C@H](c1noc(-c2ccc(Cl)cc2F)n1)N1CC[NH2+]CC1 ZINC000109473824 194267977 /nfs/dbraw/zinc/26/79/77/194267977.db2.gz VYYCWTDQSUYQQQ-SECBINFHSA-N 1 0 310.760 2.495 10 0 DEAERO O=S(=O)(c1ccccc1OC[C@H]1CCC[NH2+]C1)C(F)F ZINC000051883094 183840126 /nfs/dbraw/zinc/84/01/26/183840126.db2.gz GDMSMDXQVQRDJP-JTQLQIEISA-N 1 0 305.346 2.061 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2ncc(C)c(OC)c2C)C[C@@H]1C ZINC000110031110 194304174 /nfs/dbraw/zinc/30/41/74/194304174.db2.gz AZDQDFDQSZKMIL-HNNXBMFYSA-N 1 0 321.465 2.250 10 0 DEAERO C[NH2+]Cc1ccccc1COc1ccc(S(C)(=O)=O)cc1 ZINC000052702260 183868836 /nfs/dbraw/zinc/86/88/36/183868836.db2.gz QWPRFPUQUXCSEX-UHFFFAOYSA-N 1 0 305.399 2.389 10 0 DEAERO CCC[NH2+]CCN(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000053692043 183909801 /nfs/dbraw/zinc/90/98/01/183909801.db2.gz GOBPAWKPZYDJQH-UHFFFAOYSA-N 1 0 324.368 2.416 10 0 DEAERO COCC[NH2+]C[C@H]1CCCN1c1cccc(C(F)(F)F)n1 ZINC000053698034 183910094 /nfs/dbraw/zinc/91/00/94/183910094.db2.gz QXWPUMMBEQIDAI-LLVKDONJSA-N 1 0 303.328 2.305 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCNC(=O)C1(C)C ZINC000110653436 194347349 /nfs/dbraw/zinc/34/73/49/194347349.db2.gz VOGLDRVZSSVPFY-SKDRFNHKSA-N 1 0 315.870 2.390 10 0 DEAERO CCN(C)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000054112255 183924309 /nfs/dbraw/zinc/92/43/09/183924309.db2.gz AEPJPEJLMDVMPS-GFCCVEGCSA-N 1 0 321.248 2.274 10 0 DEAERO COCCCN(C)[C@H](C[NH3+])c1ccc(OC)c(OC)c1Cl ZINC000110829642 194362624 /nfs/dbraw/zinc/36/26/24/194362624.db2.gz AWLPSYDTQUBBKU-GFCCVEGCSA-N 1 0 316.829 2.325 10 0 DEAERO C[N@@H+]1CCN(C(=O)C2(C(N)=S)CCCCCC2)CC1(C)C ZINC000110753351 194357087 /nfs/dbraw/zinc/35/70/87/194357087.db2.gz VDOHXAKKJCNKMQ-UHFFFAOYSA-N 1 0 311.495 2.166 10 0 DEAERO CCCS(=O)(=O)c1ccc(N(CC)[C@H]2CCC[NH2+]C2)cc1 ZINC000110947471 194372973 /nfs/dbraw/zinc/37/29/73/194372973.db2.gz FIMBAEIQFHWYMW-HNNXBMFYSA-N 1 0 310.463 2.449 10 0 DEAERO CC[C@H]([NH3+])[C@@H](SCCS(C)(=O)=O)c1ccccc1OC ZINC000111004561 194381025 /nfs/dbraw/zinc/38/10/25/194381025.db2.gz ZOAVYFBQCDCAKE-JSGCOSHPSA-N 1 0 317.476 2.251 10 0 DEAERO CN(CCC[NH+](C)C)c1cc(Br)ccc1CO ZINC000111139420 194394094 /nfs/dbraw/zinc/39/40/94/194394094.db2.gz FCDRVRONHMTXKU-UHFFFAOYSA-N 1 0 301.228 2.329 10 0 DEAERO CCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000157228774 197172190 /nfs/dbraw/zinc/17/21/90/197172190.db2.gz DICJEOUJVRLBEC-NSHDSACASA-N 1 0 306.175 2.328 10 0 DEAERO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000269023772 207173542 /nfs/dbraw/zinc/17/35/42/207173542.db2.gz QFZMRZDOWMZYRN-MRVPVSSYSA-N 1 0 303.175 2.202 10 0 DEAERO C[C@H](c1ccccc1Cl)N(C)C(=O)CN1CCC[NH2+]CC1 ZINC000061272110 184167342 /nfs/dbraw/zinc/16/73/42/184167342.db2.gz LECXJTHZVFDAFV-CYBMUJFWSA-N 1 0 309.841 2.155 10 0 DEAERO O=C(CN1CCC[NH2+]CC1)Nc1nc2ccc(Cl)cc2s1 ZINC000061268829 184167433 /nfs/dbraw/zinc/16/74/33/184167433.db2.gz VPDLAVQIIGIQQV-UHFFFAOYSA-N 1 0 324.837 2.184 10 0 DEAERO CCN(CC)c1nc(Cl)nc(N[C@H](C)C[NH+]2CCCC2)n1 ZINC000061539164 184172917 /nfs/dbraw/zinc/17/29/17/184172917.db2.gz XVFXWHWAJSDKTM-LLVKDONJSA-N 1 0 312.849 2.267 10 0 DEAERO CCCOc1nc(Cl)nc(N(C)C2CC[NH+](CC)CC2)n1 ZINC000061540293 184173398 /nfs/dbraw/zinc/17/33/98/184173398.db2.gz KUODZUCJZPFYDO-UHFFFAOYSA-N 1 0 313.833 2.234 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1ccc(C)cc1 ZINC000061594184 184176006 /nfs/dbraw/zinc/17/60/06/184176006.db2.gz MWCQRFZWDSTLRZ-QWHCGFSZSA-N 1 0 306.435 2.470 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1ccccc1F ZINC000061594338 184176085 /nfs/dbraw/zinc/17/60/85/184176085.db2.gz DKERCKLQZMHUCC-RYUDHWBXSA-N 1 0 310.398 2.301 10 0 DEAERO CCCn1c(S[C@@H](c2ccc(C)cc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594781 184176250 /nfs/dbraw/zinc/17/62/50/184176250.db2.gz KKJOYBLWKSVHJX-WCQYABFASA-N 1 0 306.435 2.470 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)C1(C(N)=S)CCCCCC1 ZINC000061646157 184180972 /nfs/dbraw/zinc/18/09/72/184180972.db2.gz YCMHPXJJOWSYIC-CYBMUJFWSA-N 1 0 311.495 2.166 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)Nc1cc(Br)ccc1Cl ZINC000061692423 184183579 /nfs/dbraw/zinc/18/35/79/184183579.db2.gz DKHYUJQRNMBCTQ-SECBINFHSA-N 1 0 321.602 2.405 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(Br)cn1 ZINC000061874616 184191756 /nfs/dbraw/zinc/19/17/56/184191756.db2.gz YRUWHSAVBWGEGF-LLVKDONJSA-N 1 0 312.211 2.010 10 0 DEAERO CCC[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061941078 184197333 /nfs/dbraw/zinc/19/73/33/184197333.db2.gz AZZVABOFYQDCBY-MGPQQGTHSA-N 1 0 307.404 2.462 10 0 DEAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)CCCOC)c1 ZINC000062037793 184203146 /nfs/dbraw/zinc/20/31/46/184203146.db2.gz XRRYCISDYIRWHC-CYBMUJFWSA-N 1 0 314.451 2.014 10 0 DEAERO COC(=O)CC[C@H]([NH3+])Cc1ccc(OC)c(OC(F)F)c1 ZINC000061893057 184192978 /nfs/dbraw/zinc/19/29/78/184192978.db2.gz MXJRYTBUECAGMC-JTQLQIEISA-N 1 0 303.305 2.120 10 0 DEAERO COCCN1C(=O)C[C@H]([NH3+])[C@@H]1c1c(Cl)cccc1Cl ZINC000062210264 184220688 /nfs/dbraw/zinc/22/06/88/184220688.db2.gz FCMGBGIVIDXCLS-GXFFZTMASA-N 1 0 303.189 2.241 10 0 DEAERO CCCN[C@H](CC[N@H+](CCOC)C(CC)CC)C(=O)OC ZINC000062525610 184241663 /nfs/dbraw/zinc/24/16/63/184241663.db2.gz VJXNIYXLODMUBO-OAHLLOKOSA-N 1 0 302.459 2.055 10 0 DEAERO CC(C)[NH2+][C@H](CCOc1ccccc1C(F)(F)F)C(N)=O ZINC000062546972 184242088 /nfs/dbraw/zinc/24/20/88/184242088.db2.gz AKXWIXGAEYFWTQ-LLVKDONJSA-N 1 0 304.312 2.326 10 0 DEAERO CN(Cc1nccn1C)c1nc2c(s1)[C@@H]([NH3+])CC(C)(C)C2 ZINC000062327856 184230868 /nfs/dbraw/zinc/23/08/68/184230868.db2.gz UFFGMAAFKKNXRB-JTQLQIEISA-N 1 0 305.451 2.485 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(F)cc1O[C@H]1CCS(=O)(=O)C1 ZINC000062746697 184251774 /nfs/dbraw/zinc/25/17/74/184251774.db2.gz DUDKALOEFQQUFK-PWSUYJOCSA-N 1 0 301.383 2.062 10 0 DEAERO CCC[NH2+][C@@H]1CCc2c1cccc2OCCS(=O)(=O)CC ZINC000062799952 184253750 /nfs/dbraw/zinc/25/37/50/184253750.db2.gz KRZUVPQDYDKTKM-OAHLLOKOSA-N 1 0 311.447 2.487 10 0 DEAERO CCC[C@]1(C(=O)N(CCOC)[C@H]2CCSC2)CCC[NH2+]C1 ZINC000062857004 184256964 /nfs/dbraw/zinc/25/69/64/184256964.db2.gz FYCSPAUMVVOKFO-HOCLYGCPSA-N 1 0 314.495 2.137 10 0 DEAERO CCN(CC)c1ccc(NS(=O)(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000062996938 184264941 /nfs/dbraw/zinc/26/49/41/184264941.db2.gz COZIOOHGQINBBK-AWEZNQCLSA-N 1 0 311.451 2.027 10 0 DEAERO CCC[NH2+]Cc1cccc(OC)c1OCCCS(C)(=O)=O ZINC000063014386 184266663 /nfs/dbraw/zinc/26/66/63/184266663.db2.gz JMNQXJCUIROOMP-UHFFFAOYSA-N 1 0 315.435 2.008 10 0 DEAERO CNc1nc(CN(C)CC[NH+]2CCCC2)nc2sccc21 ZINC000063053387 184268656 /nfs/dbraw/zinc/26/86/56/184268656.db2.gz PZCWABGQZYZACN-UHFFFAOYSA-N 1 0 305.451 2.261 10 0 DEAERO C[C@H]1CCC[C@@H](SCc2nc3c(cnn3C)c(NN)[nH+]2)C1 ZINC000063084384 184269798 /nfs/dbraw/zinc/26/97/98/184269798.db2.gz LTOUAZOYMZBUMH-VHSXEESVSA-N 1 0 306.439 2.461 10 0 DEAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)C2CCCCC2)C1 ZINC000063138573 184273214 /nfs/dbraw/zinc/27/32/14/184273214.db2.gz FLQBSYXHSNVAFO-CQSZACIVSA-N 1 0 302.484 2.359 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000063168274 184275646 /nfs/dbraw/zinc/27/56/46/184275646.db2.gz FUUJYMPGKPQVHM-SECBINFHSA-N 1 0 308.856 2.164 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1Br ZINC000063174161 184276059 /nfs/dbraw/zinc/27/60/59/184276059.db2.gz BUYBYUVUQGPVNU-WDEREUQCSA-N 1 0 301.159 2.198 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1Br ZINC000063174163 184276158 /nfs/dbraw/zinc/27/61/58/184276158.db2.gz BUYBYUVUQGPVNU-QWRGUYRKSA-N 1 0 301.159 2.198 10 0 DEAERO Cc1c[nH]c(CN(C)CC2(c3ccc(C)cn3)CC[NH2+]CC2)n1 ZINC000065454772 184347809 /nfs/dbraw/zinc/34/78/09/184347809.db2.gz YKEAONLRJHRFOL-UHFFFAOYSA-N 1 0 313.449 2.175 10 0 DEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000066068122 184386547 /nfs/dbraw/zinc/38/65/47/184386547.db2.gz CFESLRXYCJDFOT-CYBMUJFWSA-N 1 0 305.422 2.495 10 0 DEAERO C[NH2+]CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000066225876 184397886 /nfs/dbraw/zinc/39/78/86/184397886.db2.gz HSMAJHVCTRIOQT-ZDUSSCGKSA-N 1 0 311.385 2.336 10 0 DEAERO CC[NH2+]CC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000066225778 184398016 /nfs/dbraw/zinc/39/80/16/184398016.db2.gz VLRGBCMWCNHJKJ-UHFFFAOYSA-N 1 0 311.385 2.165 10 0 DEAERO C[C@H]1CC[C@@H](NS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000068585563 184492884 /nfs/dbraw/zinc/49/28/84/184492884.db2.gz XLIKRNNCICXMFW-ZQDZILKHSA-N 1 0 302.484 2.263 10 0 DEAERO CSC[C@H](C)C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000069447895 184515245 /nfs/dbraw/zinc/51/52/45/184515245.db2.gz UAMNSAVXLQDYMF-OCCSQVGLSA-N 1 0 301.427 2.292 10 0 DEAERO CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCCSC)c1 ZINC000069456544 184516431 /nfs/dbraw/zinc/51/64/31/184516431.db2.gz BMCUPPIIPHHUJN-LBPRGKRZSA-N 1 0 316.492 2.389 10 0 DEAERO COc1ccc(Cl)cc1NCC(=O)N(C)CCC[NH+](C)C ZINC000538315109 285031363 /nfs/dbraw/zinc/03/13/63/285031363.db2.gz GSXOISCHYMBBGB-UHFFFAOYSA-N 1 0 313.829 2.171 10 0 DEAERO Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]1CN(C)CCO1)CCCO2 ZINC000180493112 291836765 /nfs/dbraw/zinc/83/67/65/291836765.db2.gz GUSRVZFLBXYCCT-DOTOQJQBSA-N 1 0 304.434 2.437 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CCN1C ZINC000119925818 195063735 /nfs/dbraw/zinc/06/37/35/195063735.db2.gz VJOKCVRAONPSSX-HZSPNIEDSA-N 1 0 308.857 2.386 10 0 DEAERO CCC[C@H](C(=O)NCCCc1ccc(OC)c(OC)c1)[NH+](C)C ZINC000120108282 195098007 /nfs/dbraw/zinc/09/80/07/195098007.db2.gz IAJVCBMDYUTQKT-OAHLLOKOSA-N 1 0 322.449 2.483 10 0 DEAERO CCOc1ccc2[nH]c(SC[C@@H]([NH3+])[C@H]3CCOC3)nc2c1 ZINC000159211060 197336357 /nfs/dbraw/zinc/33/63/57/197336357.db2.gz XZIZBULESYSEFP-CMPLNLGQSA-N 1 0 307.419 2.418 10 0 DEAERO CCC[NH2+][C@H](CSc1nnc(N(C)C)s1)[C@@H]1CCOC1 ZINC000159171835 197332646 /nfs/dbraw/zinc/33/26/46/197332646.db2.gz ASWOEIGCSMXLIB-GHMZBOCLSA-N 1 0 316.496 2.101 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C)cc(C[NH3+])c1F ZINC000159104610 197327484 /nfs/dbraw/zinc/32/74/84/197327484.db2.gz KYCBQTNBQYECIF-PWSUYJOCSA-N 1 0 314.426 2.402 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@H]2C)cc(C)c1F ZINC000159074484 197324470 /nfs/dbraw/zinc/32/44/70/197324470.db2.gz NJYJVHOPBQVEER-LLVKDONJSA-N 1 0 300.399 2.027 10 0 DEAERO CN(C1CC1)S(=O)(=O)c1ccc(F)c(C[NH2+]C(C)(C)C)c1 ZINC000159061540 197324078 /nfs/dbraw/zinc/32/40/78/197324078.db2.gz CYYAGWNLWLVTGF-UHFFFAOYSA-N 1 0 314.426 2.497 10 0 DEAERO CCN(C)S(=O)(=O)c1cc(C)c(F)c(C[NH2+]C(C)C)c1 ZINC000159060167 197323826 /nfs/dbraw/zinc/32/38/26/197323826.db2.gz AGXHFPSZFHUVDI-UHFFFAOYSA-N 1 0 302.415 2.273 10 0 DEAERO CCC[NH2+]Cc1cc(S(=O)(=O)N(C)CC)cc(C)c1F ZINC000159059845 197324017 /nfs/dbraw/zinc/32/40/17/197324017.db2.gz GUFSIUJKIGXBKI-UHFFFAOYSA-N 1 0 302.415 2.274 10 0 DEAERO NC(=[NH2+])CCCNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159035654 197320621 /nfs/dbraw/zinc/32/06/21/197320621.db2.gz BTGCBZGZKHIJON-UHFFFAOYSA-N 1 0 304.272 2.423 10 0 DEAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3cocn3)C2)c1 ZINC000192324762 533073570 /nfs/dbraw/zinc/07/35/70/533073570.db2.gz FCNGXBIBQVTWAE-CYBMUJFWSA-N 1 0 317.389 2.308 10 0 DEAERO Cc1cc(CC[NH3+])cnc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000158983740 197315973 /nfs/dbraw/zinc/31/59/73/197315973.db2.gz SXBYCZNPHWPVOA-UHFFFAOYSA-N 1 0 322.455 2.446 10 0 DEAERO C[NH2+][C@H](Cc1ccc(OC)c(Br)c1)c1cnn[nH]1 ZINC000158875999 197308046 /nfs/dbraw/zinc/30/80/46/197308046.db2.gz RAVXMYOJXZFHJN-SNVBAGLBSA-N 1 0 311.183 2.079 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)c1ccccc1C)[C@H]1CCOC1 ZINC000158829370 197304830 /nfs/dbraw/zinc/30/48/30/197304830.db2.gz WCKVQINBLONLTJ-GJZGRUSLSA-N 1 0 311.447 2.173 10 0 DEAERO Cc1cc(CC[NH3+])cnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000158820857 197303749 /nfs/dbraw/zinc/30/37/49/197303749.db2.gz CTOKUQZXJPLFDA-UHFFFAOYSA-N 1 0 306.387 2.087 10 0 DEAERO [NH3+][C@@H](CSc1ncccc1Br)[C@@H]1CCOC1 ZINC000158783348 197301327 /nfs/dbraw/zinc/30/13/27/197301327.db2.gz YPCKJABADLIGJX-SCZZXKLOSA-N 1 0 303.225 2.300 10 0 DEAERO CC[NH2+][C@H](c1c(Br)cnn1CCOC)C1CC1 ZINC000158769505 197300265 /nfs/dbraw/zinc/30/02/65/197300265.db2.gz OGOBYJRHBUYYJC-NSHDSACASA-N 1 0 302.216 2.353 10 0 DEAERO C[N@H+](CCCC(=O)Nc1ccc(Cl)c(N)c1)[C@@H]1CCOC1 ZINC000158210585 197253210 /nfs/dbraw/zinc/25/32/10/197253210.db2.gz CDQNEGWUJRNAHO-GFCCVEGCSA-N 1 0 311.813 2.362 10 0 DEAERO C[N@H+](CCCC(=O)Nc1cc(Cl)ccc1N)[C@@H]1CCOC1 ZINC000158257579 197258095 /nfs/dbraw/zinc/25/80/95/197258095.db2.gz JDBJNVJMXBOFJB-GFCCVEGCSA-N 1 0 311.813 2.362 10 0 DEAERO CC(C)Cc1ccc([C@H](O)C[NH2+]C2CCS(=O)CC2)cc1 ZINC000158190828 197251533 /nfs/dbraw/zinc/25/15/33/197251533.db2.gz WZOYPVMHTKWCTH-BQIYRTECSA-N 1 0 309.475 2.419 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(N(C)C)cc1F ZINC000158023251 197236336 /nfs/dbraw/zinc/23/63/36/197236336.db2.gz JHWWBVUGURLQCP-CYBMUJFWSA-N 1 0 307.413 2.496 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)C2(C(N)=S)CCCCCC2)CC[N@@H+]1C ZINC000157998945 197233814 /nfs/dbraw/zinc/23/38/14/197233814.db2.gz RANYRRVJPMRLML-OLZOCXBDSA-N 1 0 311.495 2.212 10 0 DEAERO O=C(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccccc1Cl ZINC000157979956 197232125 /nfs/dbraw/zinc/23/21/25/197232125.db2.gz IULXHKLTLQIOBA-CHWSQXEVSA-N 1 0 307.825 2.495 10 0 DEAERO COc1cccc(N(CCC[NH3+])C(=O)NCC(F)(F)F)c1 ZINC000157958175 197230407 /nfs/dbraw/zinc/23/04/07/197230407.db2.gz GLQGRAANZCZFDS-UHFFFAOYSA-N 1 0 305.300 2.122 10 0 DEAERO COCCNC(=O)C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000157877055 197222891 /nfs/dbraw/zinc/22/28/91/197222891.db2.gz ZHWQOQHVPXBXKZ-UHFFFAOYSA-N 1 0 322.352 2.151 10 0 DEAERO OCC1(Cc2cccc(F)c2Br)CC[NH2+]CC1 ZINC000157871994 197222589 /nfs/dbraw/zinc/22/25/89/197222589.db2.gz ZGFKBTSWSHEKJZ-UHFFFAOYSA-N 1 0 302.187 2.493 10 0 DEAERO CC[NH+](CC)CCN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000157837157 197219865 /nfs/dbraw/zinc/21/98/65/197219865.db2.gz JKGLOZZXCBPZNG-UHFFFAOYSA-N 1 0 309.498 2.489 10 0 DEAERO CCOCCN(C)[C@H](C[NH3+])c1ccccc1Br ZINC000157696403 197209086 /nfs/dbraw/zinc/20/90/86/197209086.db2.gz YRKRMLYGEOHODB-CYBMUJFWSA-N 1 0 301.228 2.417 10 0 DEAERO CCn1ncc(Br)c1[C@H](O)[C@@](C)(CC)[NH+](C)C ZINC000157612156 197201729 /nfs/dbraw/zinc/20/17/29/197201729.db2.gz UAYRGPLNNQTYCB-NWDGAFQWSA-N 1 0 304.232 2.429 10 0 DEAERO C[C@H]1[NH2+]CCCN(Cc2cccc(F)c2Br)C1=O ZINC000157571729 197198755 /nfs/dbraw/zinc/19/87/55/197198755.db2.gz QMIOKWYJODGYAG-SECBINFHSA-N 1 0 315.186 2.299 10 0 DEAERO CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@H]([N@H+](C)CCOC(C)C)C1 ZINC000157510542 197192662 /nfs/dbraw/zinc/19/26/62/197192662.db2.gz AIQFYQYXDXZCDT-GOEBONIOSA-N 1 0 300.443 2.107 10 0 DEAERO CSC(C)(C)CNS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000157463967 197189498 /nfs/dbraw/zinc/18/94/98/197189498.db2.gz DGVNXVQURAXHNI-UHFFFAOYSA-N 1 0 320.480 2.198 10 0 DEAERO CC[C@H]1CN([C@@H](C[NH3+])c2ccc3c(c2)OCCO3)CCS1 ZINC000157406254 197185323 /nfs/dbraw/zinc/18/53/23/197185323.db2.gz SWEHBSMPAZLSRR-KBPBESRZSA-N 1 0 308.447 2.285 10 0 DEAERO COC[C@@H](C)[NH2+]CCOc1c(Br)cccc1OC ZINC000157291040 197177485 /nfs/dbraw/zinc/17/74/85/197177485.db2.gz ANCHNPZRKLEHBR-SNVBAGLBSA-N 1 0 318.211 2.461 10 0 DEAERO C/C(=C\c1c(Br)c(C)nn1C)C[C@@H]1COCC[NH2+]1 ZINC000157354125 197181751 /nfs/dbraw/zinc/18/17/51/197181751.db2.gz HOUPPYNUBBMIEG-MXMFLMJRSA-N 1 0 314.227 2.273 10 0 DEAERO CC(C)OCC[N@H+](C)CCOc1ccc(CC(N)=S)cc1 ZINC000157254385 197173862 /nfs/dbraw/zinc/17/38/62/197173862.db2.gz IHWXZVSQPYYWGJ-UHFFFAOYSA-N 1 0 310.463 2.251 10 0 DEAERO NC1=[NH+]C[C@@]2(CC[N@@H+]3CCC[C@@H]3C2)N1c1ccccc1Cl ZINC000157242985 197172381 /nfs/dbraw/zinc/17/23/81/197172381.db2.gz AQIWWUZFUXGIMO-WBMJQRKESA-N 1 0 304.825 2.472 10 0 DEAERO NC1=[NH+]C[C@]2(CC[N@@H+]3CCC[C@@H]3C2)N1c1ccccc1Cl ZINC000157243124 197172465 /nfs/dbraw/zinc/17/24/65/197172465.db2.gz AQIWWUZFUXGIMO-MLGOLLRUSA-N 1 0 304.825 2.472 10 0 DEAERO C[C@H](CNC(=O)N1CCC(c2cc[nH]n2)CC1)C[NH+]1CCCC1 ZINC000157040728 197157038 /nfs/dbraw/zinc/15/70/38/197157038.db2.gz ZSZPRGBFLKZSRK-CQSZACIVSA-N 1 0 319.453 2.031 10 0 DEAERO C[C@@](O)(Cc1cc(Br)cs1)C[C@@H]1COCC[NH2+]1 ZINC000156923413 197150400 /nfs/dbraw/zinc/15/04/00/197150400.db2.gz IHLYWHBCVRYCPL-PWSUYJOCSA-N 1 0 320.252 2.183 10 0 DEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)NCC(C)(C)SC)c1 ZINC000156875196 197146453 /nfs/dbraw/zinc/14/64/53/197146453.db2.gz FKNZISUPTBFIIS-LLVKDONJSA-N 1 0 316.492 2.387 10 0 DEAERO C[C@](O)(C[C@@H]1COCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000156842091 197144413 /nfs/dbraw/zinc/14/44/13/197144413.db2.gz OJGJWIFXCXCXMK-MFKMUULPSA-N 1 0 305.296 2.171 10 0 DEAERO C[C@](O)(Cc1ccc(Br)s1)C[C@@H]1COCC[NH2+]1 ZINC000156804654 197141869 /nfs/dbraw/zinc/14/18/69/197141869.db2.gz NSPDCQQVNNTSJZ-BXKDBHETSA-N 1 0 320.252 2.183 10 0 DEAERO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000188770656 533141129 /nfs/dbraw/zinc/14/11/29/533141129.db2.gz AVUMLUWUIRUYMQ-QWHCGFSZSA-N 1 0 324.388 2.478 10 0 DEAERO C[NH2+]C[C@H]1CCCN1C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000156595748 197126575 /nfs/dbraw/zinc/12/65/75/197126575.db2.gz NBIDNQPWBGBRQR-ZCFIWIBFSA-N 1 0 308.250 2.206 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccc(C(F)(F)F)cc1C(N)=O ZINC000156246379 197098164 /nfs/dbraw/zinc/09/81/64/197098164.db2.gz NPGJLXCVTQXSLE-WPRPVWTQSA-N 1 0 301.312 2.120 10 0 DEAERO COc1cccc2sc(C(=O)N3CCC[C@@H]([NH3+])C3)c(N)c21 ZINC000156172615 197091375 /nfs/dbraw/zinc/09/13/75/197091375.db2.gz PKXFZRMFVUEKFL-SECBINFHSA-N 1 0 305.403 2.055 10 0 DEAERO CCC[C@@H](C[NH3+])NC(=O)c1cccc(F)c1Br ZINC000156000997 197079418 /nfs/dbraw/zinc/07/94/18/197079418.db2.gz GMUBINMDERGCPF-QMMMGPOBSA-N 1 0 303.175 2.445 10 0 DEAERO CC(C)[C@](C)(C[NH3+])Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000155986208 197078625 /nfs/dbraw/zinc/07/86/25/197078625.db2.gz HHXQHIJMTMJSKI-ZDUSSCGKSA-N 1 0 306.378 2.468 10 0 DEAERO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(F)c1Br ZINC000155982381 197078407 /nfs/dbraw/zinc/07/84/07/197078407.db2.gz JJMMLGGMPUHCIT-MRVPVSSYSA-N 1 0 301.159 2.022 10 0 DEAERO Cc1cccc([C@@H]2CC[N@H+](C[C@@H](O)COC[C@H]3CCCO3)C2)c1 ZINC000542321916 285218169 /nfs/dbraw/zinc/21/81/69/285218169.db2.gz QGUVOYDXYNUDHC-GUDVDZBRSA-N 1 0 319.445 2.341 10 0 DEAERO CSc1nc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c2ccccn21 ZINC000155620648 197072485 /nfs/dbraw/zinc/07/24/85/197072485.db2.gz NKIOFKOYYQNTPT-VXGBXAGGSA-N 1 0 318.446 2.221 10 0 DEAERO CCOc1cccnc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000155206135 197031854 /nfs/dbraw/zinc/03/18/54/197031854.db2.gz FEWXSBKLIYMUGM-ZIAGYGMSSA-N 1 0 303.406 2.037 10 0 DEAERO CCOc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1OC ZINC000155338448 197045039 /nfs/dbraw/zinc/04/50/39/197045039.db2.gz ODGKNEPXNJIEQV-BETUJISGSA-N 1 0 306.406 2.259 10 0 DEAERO COC(=O)Nc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000155299848 197041965 /nfs/dbraw/zinc/04/19/65/197041965.db2.gz YKZBUHVVHQPNEV-DOMZBBRYSA-N 1 0 319.405 2.323 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000155124262 197024721 /nfs/dbraw/zinc/02/47/21/197024721.db2.gz FBEOCYVZFWZBSM-HUUCEWRRSA-N 1 0 317.364 2.267 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000245423579 285238284 /nfs/dbraw/zinc/23/82/84/285238284.db2.gz BNCKJMCNLNUZSI-HIFRSBDPSA-N 1 0 315.417 2.055 10 0 DEAERO COCC[N@@H+]1CCN(Cc2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000120821434 195244559 /nfs/dbraw/zinc/24/45/59/195244559.db2.gz XZGAIWDEGLFLSJ-NSHDSACASA-N 1 0 302.340 2.256 10 0 DEAERO CC[C@H]1CN(Cc2cccc3[nH]ccc32)CC[N@@H+]1C[C@@H](C)O ZINC000120764654 195232593 /nfs/dbraw/zinc/23/25/93/195232593.db2.gz HEUIZFTUTMCJIY-ZBFHGGJFSA-N 1 0 301.434 2.445 10 0 DEAERO Cc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000248137136 257108392 /nfs/dbraw/zinc/10/83/92/257108392.db2.gz PCUDKRWZXQFNDP-DLBZAZTESA-N 1 0 314.433 2.275 10 0 DEAERO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cccn2C)o1 ZINC000248138914 257108404 /nfs/dbraw/zinc/10/84/04/257108404.db2.gz PNIPIXVUEFRBCT-CVEARBPZSA-N 1 0 313.401 2.416 10 0 DEAERO Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H](C(=O)N(C)C)O[C@H]3C2)cc1 ZINC000248006314 257111324 /nfs/dbraw/zinc/11/13/24/257111324.db2.gz OPYWWESFLLSLCI-IKGGRYGDSA-N 1 0 302.418 2.063 10 0 DEAERO c1cc(C[N@H+]2C[C@H]3COC[C@@]3(COCC3CCOCC3)C2)co1 ZINC000247829404 257117409 /nfs/dbraw/zinc/11/74/09/257117409.db2.gz HCRYIIHPTJJLHT-ROUUACIJSA-N 1 0 321.417 2.171 10 0 DEAERO O=C(NC[C@@H]1CC2(C[NH+](Cc3cccs3)C2)CO1)C1CCC1 ZINC000096078073 257135039 /nfs/dbraw/zinc/13/50/39/257135039.db2.gz LFHATUFSFXUVMB-AWEZNQCLSA-N 1 0 320.458 2.255 10 0 DEAERO COC[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245663995 285336785 /nfs/dbraw/zinc/33/67/85/285336785.db2.gz QKNPTPMAFPIPAA-KBMXLJTQSA-N 1 0 305.422 2.014 10 0 DEAERO CC[S@](=O)c1ccccc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000121609339 195316515 /nfs/dbraw/zinc/31/65/15/195316515.db2.gz FKHQHIIKHTTWGI-RCDICMHDSA-N 1 0 322.474 2.418 10 0 DEAERO C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000121623215 195318278 /nfs/dbraw/zinc/31/82/78/195318278.db2.gz MSCSPMSRVXLJDT-CHWSQXEVSA-N 1 0 311.223 2.278 10 0 DEAERO COc1cc(Br)cc(C)c1NC(=O)C1(C[NH3+])CC1 ZINC000122033529 195393003 /nfs/dbraw/zinc/39/30/03/195393003.db2.gz OWOAUVILFDDUBZ-UHFFFAOYSA-N 1 0 313.195 2.444 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cccc(C)c1 ZINC000122820202 195504954 /nfs/dbraw/zinc/50/49/54/195504954.db2.gz UXLWEAOQJFCAFS-IAGOWNOFSA-N 1 0 301.434 2.492 10 0 DEAERO C[NH2+]C[C@H](Cc1cccc(F)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000123213208 195556658 /nfs/dbraw/zinc/55/66/58/195556658.db2.gz ZACOMYOPUVHSSA-NEPJUHHUSA-N 1 0 319.829 2.292 10 0 DEAERO Cn1cnnc1Sc1cc(Br)ccc1C(N)=[NH2+] 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308.451 2.027 10 0 DEAERO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000358135355 133123375 /nfs/dbraw/zinc/12/33/75/133123375.db2.gz JWVGTMNJEPJPEW-ZDUSSCGKSA-N 1 0 307.442 2.027 10 0 DEAERO CC1=CCN(CC[NH2+]Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000358135349 133123607 /nfs/dbraw/zinc/12/36/07/133123607.db2.gz JVOFPCPXBSYAPX-UHFFFAOYSA-N 1 0 311.433 2.224 10 0 DEAERO COC[C@@H](NC(=O)NCC[N@H+]1CC=C(C)CC1)c1ccc(C)o1 ZINC000358170367 133125382 /nfs/dbraw/zinc/12/53/82/133125382.db2.gz RDMXTLZKCDGWPG-OAHLLOKOSA-N 1 0 321.421 2.227 10 0 DEAERO COc1cc(CNC(=O)NCC[N@H+]2CC=C(C)CC2)ccc1C ZINC000358185738 133126859 /nfs/dbraw/zinc/12/68/59/133126859.db2.gz HWXBJWRQTASGKI-UHFFFAOYSA-N 1 0 317.433 2.455 10 0 DEAERO CC(=O)c1cccc(NC(=O)CN2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000360015463 133157555 /nfs/dbraw/zinc/15/75/55/133157555.db2.gz IMSVPJQIICHLAD-WBVHZDCISA-N 1 0 316.401 2.329 10 0 DEAERO Cc1nn(C)c(C)c1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000360273117 133172593 /nfs/dbraw/zinc/17/25/93/133172593.db2.gz 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307.401 2.115 10 0 DEAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(F)c(Cl)c1 ZINC000261775129 145225016 /nfs/dbraw/zinc/22/50/16/145225016.db2.gz GZODAFNVFXTCEF-SECBINFHSA-N 1 0 300.761 2.164 10 0 DEAERO Cc1ccnn1-c1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261792476 145226896 /nfs/dbraw/zinc/22/68/96/145226896.db2.gz IHJIFEOIBCRYFT-INIZCTEOSA-N 1 0 312.417 2.380 10 0 DEAERO CC1(C)CN([C@@H](C(=O)NC2CC2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000261802517 145227988 /nfs/dbraw/zinc/22/79/88/145227988.db2.gz VYQLTCNXLPXHHG-JKSUJKDBSA-N 1 0 301.434 2.066 10 0 DEAERO Cc1ccc(-c2noc([C@H](C)NC(=O)C[C@@H](C)[NH3+])n2)cc1F ZINC000261845332 145233059 /nfs/dbraw/zinc/23/30/59/145233059.db2.gz LROCRJOBZBXQID-ZJUUUORDSA-N 1 0 306.341 2.099 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccccc1OC[C@H]1CCCO1 ZINC000261869612 145236538 /nfs/dbraw/zinc/23/65/38/145236538.db2.gz SDZFMMNRKXJNQR-QLFBSQMISA-N 1 0 318.417 2.054 10 0 DEAERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)C[C@@H](C)[NH3+])O[C@@H](C)C2 ZINC000261887141 145238045 /nfs/dbraw/zinc/23/80/45/145238045.db2.gz SOETVPPKCGLZOP-MPXAEWJHSA-N 1 0 318.417 2.118 10 0 DEAERO C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccccc1-n1cccn1 ZINC000261897039 145238200 /nfs/dbraw/zinc/23/82/00/145238200.db2.gz YANSLQHPDAIHPC-CABCVRRESA-N 1 0 312.417 2.439 10 0 DEAERO c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261913325 145241322 /nfs/dbraw/zinc/24/13/22/145241322.db2.gz JISHNFZNFIUQAL-QXAKKESOSA-N 1 0 313.445 2.457 10 0 DEAERO Cc1ccccc1C1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000261922169 145241923 /nfs/dbraw/zinc/24/19/23/145241923.db2.gz KOPPYXXSJFPFMN-UHFFFAOYSA-N 1 0 316.445 2.457 10 0 DEAERO [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F)C1CC1 ZINC000261940561 145244988 /nfs/dbraw/zinc/24/49/88/145244988.db2.gz NDSAWAJWZTVXNV-YNEHKIRRSA-N 1 0 310.344 2.245 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)Cc1cc(C(F)(F)F)n[nH]1 ZINC000261947395 145245669 /nfs/dbraw/zinc/24/56/69/145245669.db2.gz FOJPWKGPFKTZBG-UHFFFAOYSA-N 1 0 312.339 2.432 10 0 DEAERO CCOCCOc1ccccc1-c1nc(C2([NH3+])CCC2)no1 ZINC000261953009 145246481 /nfs/dbraw/zinc/24/64/81/145246481.db2.gz OEZRUDTWHDEOGB-UHFFFAOYSA-N 1 0 303.362 2.490 10 0 DEAERO COC(=O)c1c(C)cccc1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261957916 145246789 /nfs/dbraw/zinc/24/67/89/145246789.db2.gz RENHXFZPLBKXGJ-GFCCVEGCSA-N 1 0 302.374 2.110 10 0 DEAERO C[C@@H]1CCN(CC(=O)Nc2cccc3c2N=S=N3)[C@@H](C[NH3+])C1 ZINC000261980429 145249126 /nfs/dbraw/zinc/24/91/26/145249126.db2.gz AIHVCIZEDUUPIT-GHMZBOCLSA-N 1 0 319.434 2.411 10 0 DEAERO Cc1nc(-c2ccc(CNC(=O)[C@@H](C)C3C[NH2+]C3)o2)cs1 ZINC000262027203 145254774 /nfs/dbraw/zinc/25/47/74/145254774.db2.gz DNHGOHZZLJKXPU-VIFPVBQESA-N 1 0 305.403 2.183 10 0 DEAERO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000262043584 145255928 /nfs/dbraw/zinc/25/59/28/145255928.db2.gz SXCKPPZRCNBIHI-UHTWSYAYSA-N 1 0 310.344 2.260 10 0 DEAERO c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000262043418 145256375 /nfs/dbraw/zinc/25/63/75/145256375.db2.gz YTQBGYDSKSHALC-LULLPPNCSA-N 1 0 300.446 2.463 10 0 DEAERO Cc1ccc(CSCCNC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000262049836 145257223 /nfs/dbraw/zinc/25/72/23/145257223.db2.gz ZNHJHCVCPKLUTE-UHFFFAOYSA-N 1 0 322.474 2.100 10 0 DEAERO CC1(C)CN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000262101170 145261366 /nfs/dbraw/zinc/26/13/66/145261366.db2.gz VBNIPSZPPUVTAO-CQSZACIVSA-N 1 0 316.380 2.415 10 0 DEAERO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1c1ccccc1 ZINC000262119645 145263869 /nfs/dbraw/zinc/26/38/69/145263869.db2.gz BULQGVSFCGIHNM-OCCSQVGLSA-N 1 0 303.793 2.483 10 0 DEAERO Cc1sc(=O)n(Cc2nc(-c3ccc(C[NH3+])cc3)no2)c1C ZINC000262128693 145264734 /nfs/dbraw/zinc/26/47/34/145264734.db2.gz XXGXMSPPQOIPNA-UHFFFAOYSA-N 1 0 316.386 2.084 10 0 DEAERO O=C(C1C[NH2+]C1)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000262211338 145269431 /nfs/dbraw/zinc/26/94/31/145269431.db2.gz JATRDLJYSUFBLZ-HNNXBMFYSA-N 1 0 316.426 2.030 10 0 DEAERO CCc1onc(C)c1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000262342520 145277734 /nfs/dbraw/zinc/27/77/34/145277734.db2.gz IBBLMXNITXWLFS-LLVKDONJSA-N 1 0 300.362 2.009 10 0 DEAERO CCc1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000262419558 145282621 /nfs/dbraw/zinc/28/26/21/145282621.db2.gz DWCDAQWKNKMCQB-GRDNDAEWSA-N 1 0 322.474 2.459 10 0 DEAERO COC(=O)[C@H](C)[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000262480856 145286510 /nfs/dbraw/zinc/28/65/10/145286510.db2.gz YAHBCTPUIMDOEW-LQKXBSAESA-N 1 0 318.417 2.041 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1ccc(F)cc1F ZINC000262498271 145288002 /nfs/dbraw/zinc/28/80/02/145288002.db2.gz LSHAECINLLVCCZ-CKUKBARFSA-N 1 0 310.344 2.436 10 0 DEAERO C[C@H](c1ccccc1)N(C)C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262518950 145289330 /nfs/dbraw/zinc/28/93/30/145289330.db2.gz NWQPFCDFRQAABU-ZBFHGGJFSA-N 1 0 303.450 2.265 10 0 DEAERO C[C@H](C(=O)NCCOc1ccccc1C(C)(C)C)C1C[NH2+]C1 ZINC000262532566 145290655 /nfs/dbraw/zinc/29/06/55/145290655.db2.gz MEKLFDWNFLQYKV-ZDUSSCGKSA-N 1 0 304.434 2.335 10 0 DEAERO C[C@@H]([NH3+])CCNC(=O)c1ccsc1NC(=O)c1ccco1 ZINC000262540941 145291477 /nfs/dbraw/zinc/29/14/77/145291477.db2.gz UIEKEDOMMQFFFW-SECBINFHSA-N 1 0 307.375 2.061 10 0 DEAERO COC1([C@@H](C)[NH2+]CCN2CCc3sccc3C2)CCOCC1 ZINC000453062271 292135328 /nfs/dbraw/zinc/13/53/28/292135328.db2.gz FFOCOGKIZYOMEE-CQSZACIVSA-N 1 0 324.490 2.280 10 0 DEAERO C[C@H](CNC1=[NH+]CCCN1)Oc1ccc(Br)cc1 ZINC000262699907 145300821 /nfs/dbraw/zinc/30/08/21/145300821.db2.gz YPEMLIAIJNGREJ-SNVBAGLBSA-N 1 0 312.211 2.155 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(Cl)cc1F ZINC000262763243 145304317 /nfs/dbraw/zinc/30/43/17/145304317.db2.gz GNPORYCHMRLEEL-VHSXEESVSA-N 1 0 320.817 2.206 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1CC ZINC000262809412 145306314 /nfs/dbraw/zinc/30/63/14/145306314.db2.gz XRSJUKCGJJWBAG-BLLLJJGKSA-N 1 0 310.463 2.088 10 0 DEAERO Cc1cc(C)c(C)c(OCCC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000262867827 145308441 /nfs/dbraw/zinc/30/84/41/145308441.db2.gz UTHHEASOFQHKNW-ZBFHGGJFSA-N 1 0 304.434 2.495 10 0 DEAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000262988729 145316384 /nfs/dbraw/zinc/31/63/84/145316384.db2.gz NMFOBWWMBMJHIO-LZWOXQAQSA-N 1 0 310.825 2.397 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccccc2OCC2CC2)n1 ZINC000263228093 145338729 /nfs/dbraw/zinc/33/87/29/145338729.db2.gz NBMZIGOXAVTXRJ-CQSZACIVSA-N 1 0 314.389 2.102 10 0 DEAERO Cc1oc2nc(C[N@@H+]3CCC[C@@H]3C(C)(C)O)nc(N)c2c1C ZINC000305642825 145344177 /nfs/dbraw/zinc/34/41/77/145344177.db2.gz QVXBATWLWGBBHL-LLVKDONJSA-N 1 0 304.394 2.157 10 0 DEAERO COCC[C@H](COC)[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000309701183 145351064 /nfs/dbraw/zinc/35/10/64/145351064.db2.gz GBQSNUJPEVSGRA-CGTJXYLNSA-N 1 0 306.450 2.291 10 0 DEAERO COCC[C@H](COC)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309863243 145351167 /nfs/dbraw/zinc/35/11/67/145351167.db2.gz OHFJKGYDYOJURK-QZTJIDSGSA-N 1 0 306.450 2.292 10 0 DEAERO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)CCOCC1 ZINC000453132283 292137214 /nfs/dbraw/zinc/13/72/14/292137214.db2.gz YAXQRECAAPHLFR-QWHCGFSZSA-N 1 0 321.421 2.412 10 0 DEAERO Cc1cn2c(n1)[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)CCC2 ZINC000332679256 145386499 /nfs/dbraw/zinc/38/64/99/145386499.db2.gz GGHDTVJJYCDFTD-HZPDHXFCSA-N 1 0 318.465 2.450 10 0 DEAERO O=C(NC1CC1)[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccc(F)cc1 ZINC000332991619 145393187 /nfs/dbraw/zinc/39/31/87/145393187.db2.gz KWALJHREGDMSSZ-BBWFWOEESA-N 1 0 318.392 2.303 10 0 DEAERO Cn1cnc(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000358380438 147122469 /nfs/dbraw/zinc/12/24/69/147122469.db2.gz LBCHOUWRCVVCFG-ZBFHGGJFSA-N 1 0 300.406 2.115 10 0 DEAERO COCCC1(C)CN(C(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000358456502 147136955 /nfs/dbraw/zinc/13/69/55/147136955.db2.gz AJQYKCAPAKRQGV-UHFFFAOYSA-N 1 0 311.470 2.175 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCC2(CCO)CCCCC2)CC1 ZINC000358646651 147172340 /nfs/dbraw/zinc/17/23/40/147172340.db2.gz JHEAZNDJMCLKOX-UHFFFAOYSA-N 1 0 323.481 2.271 10 0 DEAERO Cc1csc([C@@H](C)NC(=O)N2CC[C@H](c3nccn3C)C2)n1 ZINC000372301793 148192162 /nfs/dbraw/zinc/19/21/62/148192162.db2.gz LNFRMJLTOAGRSH-NEPJUHHUSA-N 1 0 319.434 2.445 10 0 DEAERO CC(C)[NH+](CCNC(=O)N[C@@H]1CCCc2nn(C)cc21)C(C)C ZINC000374886517 148300803 /nfs/dbraw/zinc/30/08/03/148300803.db2.gz KHJQZYBLVXBNQN-OAHLLOKOSA-N 1 0 321.469 2.216 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000127126966 401721443 /nfs/dbraw/zinc/72/14/43/401721443.db2.gz YYDQIXDSRKXZGA-ZACQAIPSSA-N 1 0 323.481 2.364 10 0 DEAERO CCC1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000073782006 401721966 /nfs/dbraw/zinc/72/19/66/401721966.db2.gz LPTNZAPDMZODBE-GTPINHCMSA-N 1 0 324.513 2.138 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000074167318 401731618 /nfs/dbraw/zinc/73/16/18/401731618.db2.gz MGKIAVDARJONTE-CJNGLKHVSA-N 1 0 309.454 2.070 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000074165837 401731813 /nfs/dbraw/zinc/73/18/13/401731813.db2.gz XPRPYOBULWCFRJ-UHFFFAOYSA-N 1 0 324.428 2.154 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCC1CC1 ZINC000074301613 401735391 /nfs/dbraw/zinc/73/53/91/401735391.db2.gz WLSQIJRITLZATG-YOEHRIQHSA-N 1 0 316.449 2.391 10 0 DEAERO CSc1ccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)cc1 ZINC000127544768 401739481 /nfs/dbraw/zinc/73/94/81/401739481.db2.gz KZQNUOVEDSBMDS-AWEZNQCLSA-N 1 0 306.431 2.002 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)C1([NH3+])CCOCC1 ZINC000127701184 401746269 /nfs/dbraw/zinc/74/62/69/401746269.db2.gz HFFQVONWNSACEC-UHFFFAOYSA-N 1 0 313.195 2.204 10 0 DEAERO CCC[C@H]1CN(C(=O)NCC2CC[NH+](CCC)CC2)CCO1 ZINC000126728064 401706178 /nfs/dbraw/zinc/70/61/78/401706178.db2.gz IGPOHRJJYPOMNF-INIZCTEOSA-N 1 0 311.470 2.319 10 0 DEAERO c1cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc2c1OCC2 ZINC000111301807 401710187 /nfs/dbraw/zinc/71/01/87/401710187.db2.gz CXDCMPBQWZFHJB-GOSISDBHSA-N 1 0 316.445 2.308 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1COc2ccccc21 ZINC000111481522 401716774 /nfs/dbraw/zinc/71/67/74/401716774.db2.gz OYYHUGHORQMIBO-UKRRQHHQSA-N 1 0 303.406 2.294 10 0 DEAERO CCC(CC)[C@@H](O)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000111655260 401719475 /nfs/dbraw/zinc/71/94/75/401719475.db2.gz CENPJOCUQMIVNG-IRXDYDNUSA-N 1 0 306.450 2.073 10 0 DEAERO CC(C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000073676580 401719760 /nfs/dbraw/zinc/71/97/60/401719760.db2.gz AYMUXXUBKADUGN-INIZCTEOSA-N 1 0 311.470 2.176 10 0 DEAERO Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCCO2)[NH+](C)C)cc1 ZINC000077007217 401802674 /nfs/dbraw/zinc/80/26/74/401802674.db2.gz CVHHUGVHLIOKLV-IAGOWNOFSA-N 1 0 319.449 2.418 10 0 DEAERO C[C@@H](CC[NH2+]Cc1csc(-c2ccccn2)n1)[S@@](C)=O ZINC000129482348 401804720 /nfs/dbraw/zinc/80/47/20/401804720.db2.gz XPTIXYUYUPTMLU-YBTHPKLGSA-N 1 0 309.460 2.452 10 0 DEAERO CCn1cc(C[N@@H+]2CCCN(c3nc(C)cc(C)n3)CC2)cn1 ZINC000112695512 401753938 /nfs/dbraw/zinc/75/39/38/401753938.db2.gz XXZLVOPJHZRSOI-UHFFFAOYSA-N 1 0 314.437 2.022 10 0 DEAERO C[NH+]1CCC2(C[N@H+](Cc3ccc(F)cc3)C[C@@H]2C(=O)[O-])CC1 ZINC000008698696 401755319 /nfs/dbraw/zinc/75/53/19/401755319.db2.gz XNUQHECOGQSOOF-OAHLLOKOSA-N 1 0 306.381 2.054 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC([NH+](C)C)CC2)c1 ZINC000127932383 401756293 /nfs/dbraw/zinc/75/62/93/401756293.db2.gz YBVZGHBWOJZOAB-CYBMUJFWSA-N 1 0 317.433 2.242 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000128000432 401758481 /nfs/dbraw/zinc/75/84/81/401758481.db2.gz ZITLIZVLYJHKHM-UHFFFAOYSA-N 1 0 313.804 2.444 10 0 DEAERO COc1ccc2nc(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)ccc2c1 ZINC000075577846 401763020 /nfs/dbraw/zinc/76/30/20/401763020.db2.gz RRTRQSVZGSQZNT-GFCCVEGCSA-N 1 0 313.401 2.456 10 0 DEAERO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCCN1CCOCC1 ZINC000075710825 401766832 /nfs/dbraw/zinc/76/68/32/401766832.db2.gz FPBXDEFFXQUPSJ-FUHWJXTLSA-N 1 0 304.434 2.171 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccncc2Cl)CC1 ZINC000075718666 401767371 /nfs/dbraw/zinc/76/73/71/401767371.db2.gz DLWNBPAHSQATOX-MRXNPFEDSA-N 1 0 322.884 2.337 10 0 DEAERO CCOc1cc(C[NH2+]CCOCCO)cc(Cl)c1OCC ZINC000010435724 401770292 /nfs/dbraw/zinc/77/02/92/401770292.db2.gz KPBAWBFZRWFOAF-UHFFFAOYSA-N 1 0 317.813 2.236 10 0 DEAERO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(OC)c1 ZINC000113232269 401771429 /nfs/dbraw/zinc/77/14/29/401771429.db2.gz QPWWEFGHPZOSPZ-QWHCGFSZSA-N 1 0 304.390 2.013 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)s1 ZINC000113305980 401776233 /nfs/dbraw/zinc/77/62/33/401776233.db2.gz JKLXGKXPXUNGQK-NXEZZACHSA-N 1 0 320.867 2.259 10 0 DEAERO Cc1ccc(OCCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000113578321 401782696 /nfs/dbraw/zinc/78/26/96/401782696.db2.gz ISTBRZYEIXFSFH-JKSUJKDBSA-N 1 0 317.433 2.252 10 0 DEAERO CS(=O)(=O)CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076106717 401782832 /nfs/dbraw/zinc/78/28/32/401782832.db2.gz SECCOHKFABLLOD-HOTGVXAUSA-N 1 0 311.447 2.009 10 0 DEAERO COCc1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113590600 401783284 /nfs/dbraw/zinc/78/32/84/401783284.db2.gz DCKQQOQBLYPTSU-WMLDXEAASA-N 1 0 317.433 2.211 10 0 DEAERO CCOc1cccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113589445 401783373 /nfs/dbraw/zinc/78/33/73/401783373.db2.gz UHKGDSUEFVIPKD-GOEBONIOSA-N 1 0 317.433 2.463 10 0 DEAERO OCC[N@H+](C[C@H](O)COCc1ccccc1)C1CCCCC1 ZINC000113767772 401785829 /nfs/dbraw/zinc/78/58/29/401785829.db2.gz WBIJUCDLAOFLBG-SFHVURJKSA-N 1 0 307.434 2.191 10 0 DEAERO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000130258819 401824963 /nfs/dbraw/zinc/82/49/63/401824963.db2.gz OGCUVRDVLSXOSR-IAGOWNOFSA-N 1 0 301.365 2.202 10 0 DEAERO CCc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](C)CO)[NH+](C)C)cc1 ZINC000077753991 401828858 /nfs/dbraw/zinc/82/88/58/401828858.db2.gz USJOHNIXSLDGIL-ZQIUZPCESA-N 1 0 321.465 2.168 10 0 DEAERO C[C@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000115696499 401835472 /nfs/dbraw/zinc/83/54/72/401835472.db2.gz NDVRSTIRBRDMRK-STQMWFEESA-N 1 0 323.412 2.206 10 0 DEAERO CN1C[C@H]([NH2+]Cc2ccc(CSC(F)F)o2)CCC1=O ZINC000077900436 401835899 /nfs/dbraw/zinc/83/58/99/401835899.db2.gz ZAUIORZHCYUNGC-SECBINFHSA-N 1 0 304.362 2.446 10 0 DEAERO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CSC(=O)N1 ZINC000077983181 401837600 /nfs/dbraw/zinc/83/76/00/401837600.db2.gz DFMQFSMADYAWEQ-CQSZACIVSA-N 1 0 319.430 2.088 10 0 DEAERO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cccc1Cl ZINC000130880568 401840415 /nfs/dbraw/zinc/84/04/15/401840415.db2.gz KGQZYWKXIJPZQS-UHFFFAOYSA-N 1 0 320.817 2.194 10 0 DEAERO CC(C)OCCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116249786 401846747 /nfs/dbraw/zinc/84/67/47/401846747.db2.gz LVDFFSYWCPCCLM-RDJZCZTQSA-N 1 0 319.449 2.223 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)c3cc(F)ccc3F)C2)cn1 ZINC000116317460 401849186 /nfs/dbraw/zinc/84/91/86/401849186.db2.gz RASKKUACOVCVOM-BZNIZROVSA-N 1 0 307.344 2.221 10 0 DEAERO CCc1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)n(C)n1 ZINC000116507985 401853841 /nfs/dbraw/zinc/85/38/41/401853841.db2.gz GCOZXFQMUGJMPI-OAHLLOKOSA-N 1 0 315.421 2.407 10 0 DEAERO COc1ccc2c3c1O[C@H]1C(=O)C[C@H](C)[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000029463970 401856403 /nfs/dbraw/zinc/85/64/03/401856403.db2.gz XENDXLLQEKTAFL-PMNSSUKJSA-N 1 0 313.397 2.179 10 0 DEAERO Cc1ccccc1[C@@H](C)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116785125 401858381 /nfs/dbraw/zinc/85/83/81/401858381.db2.gz KTKCLUZYBVIHNY-JKSUJKDBSA-N 1 0 304.434 2.278 10 0 DEAERO CC(C)COc1cccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000116798302 401859736 /nfs/dbraw/zinc/85/97/36/401859736.db2.gz NMFJSVLLKSAMHR-KRWDZBQOSA-N 1 0 320.433 2.124 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(Cc3cnc(Cl)s3)CC2)CCO1 ZINC000078688699 401862098 /nfs/dbraw/zinc/86/20/98/401862098.db2.gz MLYVVDVXGRAWQV-NSHDSACASA-N 1 0 315.870 2.482 10 0 DEAERO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccccn1)C1CCOCC1 ZINC000132263654 401864415 /nfs/dbraw/zinc/86/44/15/401864415.db2.gz OWFFWASYCOIDDA-OAHLLOKOSA-N 1 0 319.449 2.035 10 0 DEAERO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000129960969 401813136 /nfs/dbraw/zinc/81/31/36/401813136.db2.gz MMQWMZOVMQCBMH-GFCCVEGCSA-N 1 0 321.421 2.221 10 0 DEAERO CC[N@H+](CCNC(=O)N1CCO[C@H](c2ccc(C)o2)C1)C1CC1 ZINC000119199503 401932551 /nfs/dbraw/zinc/93/25/51/401932551.db2.gz CJXQFIMOVYLVRT-INIZCTEOSA-N 1 0 321.421 2.155 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2ccnn2C(C)C)CC[N@@H+]1CCOC ZINC000117399210 401876503 /nfs/dbraw/zinc/87/65/03/401876503.db2.gz CHIYLFIDCRDIKG-AWEZNQCLSA-N 1 0 323.441 2.039 10 0 DEAERO Cc1cnn(CCNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000118060300 401889993 /nfs/dbraw/zinc/88/99/93/401889993.db2.gz VOCPCWHDQFELGZ-HNNXBMFYSA-N 1 0 321.469 2.003 10 0 DEAERO Cc1cnn(CCNC(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000118060224 401890129 /nfs/dbraw/zinc/89/01/29/401890129.db2.gz MGMBSKANXYQDPZ-UHFFFAOYSA-N 1 0 321.469 2.003 10 0 DEAERO Cc1cccc(S(=O)(=O)n2cc(CC[NH3+])c3cccnc32)c1 ZINC000034269374 401892591 /nfs/dbraw/zinc/89/25/91/401892591.db2.gz CXDMONKMPBWVLC-UHFFFAOYSA-N 1 0 315.398 2.083 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c(C)s1 ZINC000089108182 401935671 /nfs/dbraw/zinc/93/56/71/401935671.db2.gz XIZCWNYTFZNZEG-VXGBXAGGSA-N 1 0 302.465 2.161 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c(C)s1 ZINC000089108184 401936105 /nfs/dbraw/zinc/93/61/05/401936105.db2.gz XIZCWNYTFZNZEG-NWDGAFQWSA-N 1 0 302.465 2.161 10 0 DEAERO CC[C@]1(C(=O)NC2CCN(c3ccc(C)cn3)CC2)CCC[NH2+]1 ZINC000134620396 401909190 /nfs/dbraw/zinc/90/91/90/401909190.db2.gz ZNSLIEDPVONTMH-GOSISDBHSA-N 1 0 316.449 2.007 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2C2CCCC2)C1 ZINC000085787750 401919064 /nfs/dbraw/zinc/91/90/64/401919064.db2.gz JCUJVGQMPRJXOY-GDBMZVCRSA-N 1 0 314.495 2.313 10 0 DEAERO CC[C@H](COC)[NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000119025491 401920114 /nfs/dbraw/zinc/92/01/14/401920114.db2.gz RCANVSNXNSNDKI-CABCVRRESA-N 1 0 312.479 2.444 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccccc1F ZINC000038106261 401922508 /nfs/dbraw/zinc/92/25/08/401922508.db2.gz MZYNZSDLCCFHCW-LBPRGKRZSA-N 1 0 302.415 2.080 10 0 DEAERO CC1CCN(CC[NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000039287335 401923930 /nfs/dbraw/zinc/92/39/30/401923930.db2.gz ZGFLNWSFOHFLGF-UHFFFAOYSA-N 1 0 313.445 2.360 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000119732706 401965081 /nfs/dbraw/zinc/96/50/81/401965081.db2.gz ZJALQQZQKUWJRU-HNNXBMFYSA-N 1 0 305.397 2.251 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2ccc(C)c(OC)c2)C1 ZINC000119830852 401968146 /nfs/dbraw/zinc/96/81/46/401968146.db2.gz HZGAKRARHNVWFH-INIZCTEOSA-N 1 0 319.449 2.330 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000046280867 401968306 /nfs/dbraw/zinc/96/83/06/401968306.db2.gz BAMPDXFGVKVAKR-ZDUSSCGKSA-N 1 0 321.421 2.287 10 0 DEAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC(=O)C1 ZINC000136698730 401971752 /nfs/dbraw/zinc/97/17/52/401971752.db2.gz FPQCUVHETRKTML-MRXNPFEDSA-N 1 0 300.402 2.136 10 0 DEAERO CCOc1ccc(NC(=O)CCN2CC[NH+](C3CC3)CC2)cc1 ZINC000136766362 401973774 /nfs/dbraw/zinc/97/37/74/401973774.db2.gz ROKZMEXIBADMNE-UHFFFAOYSA-N 1 0 317.433 2.194 10 0 DEAERO COc1ccccc1OCCC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000046859312 401974206 /nfs/dbraw/zinc/97/42/06/401974206.db2.gz IVHCZIFBTJTJHJ-OAHLLOKOSA-N 1 0 320.433 2.455 10 0 DEAERO CC(C)c1noc(CCC(=O)NCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000046860527 401974257 /nfs/dbraw/zinc/97/42/57/401974257.db2.gz FMBUPUJZPXBMOQ-ZDUSSCGKSA-N 1 0 308.426 2.116 10 0 DEAERO CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000090004137 401978872 /nfs/dbraw/zinc/97/88/72/401978872.db2.gz IERSOGABEUNHDC-INIZCTEOSA-N 1 0 320.481 2.323 10 0 DEAERO COc1ccc(COCCCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000120218255 401982320 /nfs/dbraw/zinc/98/23/20/401982320.db2.gz WYQZXGMJCLNFOY-INIZCTEOSA-N 1 0 320.433 2.155 10 0 DEAERO C[C@H](CCO)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000090740041 401987145 /nfs/dbraw/zinc/98/71/45/401987145.db2.gz GTFYHWCCEAPYPO-KGLIPLIRSA-N 1 0 300.443 2.242 10 0 DEAERO CN1C(=O)C[C@@H]([NH2+]C2CCN(C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000090968669 401989758 /nfs/dbraw/zinc/98/97/58/401989758.db2.gz KGRNWMGBGKSKPD-NVXWUHKLSA-N 1 0 321.852 2.296 10 0 DEAERO C[N@@H+](CC(=O)N1CCC[C@@H]1c1cccs1)CC1CC(O)C1 ZINC000091491251 401996196 /nfs/dbraw/zinc/99/61/96/401996196.db2.gz DHHIQRUPCXOXCD-JXQTWKCFSA-N 1 0 308.447 2.114 10 0 DEAERO CCc1cccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000043333198 401938349 /nfs/dbraw/zinc/93/83/49/401938349.db2.gz ZRQUVOMUBQFZEL-INIZCTEOSA-N 1 0 305.422 2.217 10 0 DEAERO CCCN(CC[NH2+]Cc1cnn(C)c1C)C(=O)OC(C)(C)C ZINC000119339167 401942661 /nfs/dbraw/zinc/94/26/61/401942661.db2.gz LPKPIZKAXFBLEN-UHFFFAOYSA-N 1 0 310.442 2.465 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1Br ZINC000135561756 401945484 /nfs/dbraw/zinc/94/54/84/401945484.db2.gz XFTKYJIGORPUIJ-GHMZBOCLSA-N 1 0 324.222 2.153 10 0 DEAERO CC(C)NC(=O)CC[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000091689452 401997221 /nfs/dbraw/zinc/99/72/21/401997221.db2.gz GYSALBCPOBVFIY-HNNXBMFYSA-N 1 0 321.440 2.419 10 0 DEAERO CCn1nc(C)c(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000089480860 401949760 /nfs/dbraw/zinc/94/97/60/401949760.db2.gz YHTBGWKKXUZSOU-FZMZJTMJSA-N 1 0 305.426 2.220 10 0 DEAERO CN1CCN(C(=O)CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000093142382 402012136 /nfs/dbraw/zinc/01/21/36/402012136.db2.gz BUICGMUXPLBTBP-UHFFFAOYSA-N 1 0 321.490 2.124 10 0 DEAERO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151105399 402016240 /nfs/dbraw/zinc/01/62/40/402016240.db2.gz YHUOMRNCSORCFK-JKSUJKDBSA-N 1 0 316.449 2.216 10 0 DEAERO CCOC[C@@H](NC(=O)N[C@H](CC(C)C)C[NH+](C)C)C(C)C ZINC000190125231 286138542 /nfs/dbraw/zinc/13/85/42/286138542.db2.gz ZNXRTEODROWGAC-HUUCEWRRSA-N 1 0 301.475 2.323 10 0 DEAERO CC[NH2+][C@H](CCO)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095091389 402025976 /nfs/dbraw/zinc/02/59/76/402025976.db2.gz BAILZXAZBHRSGC-IAGOWNOFSA-N 1 0 320.433 2.396 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](O)c1cccc(C)c1 ZINC000121356592 402030885 /nfs/dbraw/zinc/03/08/85/402030885.db2.gz ONIRDOLIPWKKMJ-ZBFHGGJFSA-N 1 0 307.438 2.058 10 0 DEAERO CC(=O)Nc1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000053809760 402060107 /nfs/dbraw/zinc/06/01/07/402060107.db2.gz ZSHWEWUBGPYFBE-LBPRGKRZSA-N 1 0 321.396 2.388 10 0 DEAERO c1nnc(C2CC2)n1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000095988068 402043074 /nfs/dbraw/zinc/04/30/74/402043074.db2.gz JAOZBZAGHUBFAQ-ZNMIVQPWSA-N 1 0 302.422 2.093 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(OC(C)C)nc2)C1 ZINC000052527185 402043620 /nfs/dbraw/zinc/04/36/20/402043620.db2.gz ZJEYIZJMOQOLGK-OAHLLOKOSA-N 1 0 320.437 2.152 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N1CCO[C@H](c2ccco2)C1 ZINC000121554964 402044133 /nfs/dbraw/zinc/04/41/33/402044133.db2.gz YWVGSVASCNJYAR-INIZCTEOSA-N 1 0 321.421 2.239 10 0 DEAERO Cn1c(CN2CCC[C@H]2C[C@H](O)c2ccco2)nnc1C1CC1 ZINC000151670473 402049649 /nfs/dbraw/zinc/04/96/49/402049649.db2.gz QNHSILUGWMSSSM-KBPBESRZSA-N 1 0 316.405 2.374 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000120759994 402001327 /nfs/dbraw/zinc/00/13/27/402001327.db2.gz SZWSORNMUHBDIB-HUUCEWRRSA-N 1 0 311.470 2.364 10 0 DEAERO Cc1n[nH]cc1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000092849189 402009629 /nfs/dbraw/zinc/00/96/29/402009629.db2.gz LNWUQYOBIKBAIO-ZBFHGGJFSA-N 1 0 318.808 2.433 10 0 DEAERO CC1(C)Cc2cccc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)c2O1 ZINC000121001338 402010175 /nfs/dbraw/zinc/01/01/75/402010175.db2.gz HTOQETJFNONAKD-QGZVFWFLSA-N 1 0 316.445 2.307 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000122548934 402083565 /nfs/dbraw/zinc/08/35/65/402083565.db2.gz VSPLPDQPLQSOPK-UHFFFAOYSA-N 1 0 319.327 2.093 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(C)[nH]n2)CC1 ZINC000056383921 402088617 /nfs/dbraw/zinc/08/86/17/402088617.db2.gz KESHLCXFRJKYDN-UHFFFAOYSA-N 1 0 313.405 2.112 10 0 DEAERO Cc1[nH]nc2ncc(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)cc12 ZINC000122723461 402092169 /nfs/dbraw/zinc/09/21/69/402092169.db2.gz 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ZINC000062228457 402109875 /nfs/dbraw/zinc/10/98/75/402109875.db2.gz CCTSOQJDOQPNCQ-INIZCTEOSA-N 1 0 318.417 2.111 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)N(C)CC2CCCCC2)CC[N@@H+]1C ZINC000123113054 402111241 /nfs/dbraw/zinc/11/12/41/402111241.db2.gz XJQVZYAQPIQZCP-DOTOQJQBSA-N 1 0 309.498 2.440 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2cc3ccccc3oc2=O)CC[N@@H+]1C ZINC000123177928 402114314 /nfs/dbraw/zinc/11/43/14/402114314.db2.gz MVAKSTQFQXNIJE-GXTWGEPZSA-N 1 0 314.385 2.348 10 0 DEAERO C[C@@H](C1CC1)N(C(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000123249565 402118084 /nfs/dbraw/zinc/11/80/84/402118084.db2.gz GBMWHAAOILMOKO-KEYYUXOJSA-N 1 0 307.482 2.190 10 0 DEAERO Cc1nn(C)c2ncc(CN(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc12 ZINC000123255298 402118199 /nfs/dbraw/zinc/11/81/99/402118199.db2.gz OWVMBOCFKDALQH-IUODEOHRSA-N 1 0 301.438 2.191 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123265658 402118647 /nfs/dbraw/zinc/11/86/47/402118647.db2.gz OGICMNJKIHYKKL-WBVHZDCISA-N 1 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C[NH+](C)C[C@H]1CN(CCCOc2cccc(Cl)c2)CCO1 ZINC000155374328 402254519 /nfs/dbraw/zinc/25/45/19/402254519.db2.gz QXUGFKNSDBSKLT-INIZCTEOSA-N 1 0 312.841 2.371 10 0 DEAERO COCCOc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000155372411 402254582 /nfs/dbraw/zinc/25/45/82/402254582.db2.gz DETZVSIYMGCELB-PBHICJAKSA-N 1 0 320.433 2.170 10 0 DEAERO [NH3+][C@@H]1CCN(c2cc(-c3ccccc3)nc(-c3cnccn3)n2)C1 ZINC000070455898 402260385 /nfs/dbraw/zinc/26/03/85/402260385.db2.gz GEDDXGDBYKZDTR-CQSZACIVSA-N 1 0 318.384 2.138 10 0 DEAERO [NH3+]C1CCN(c2ncccc2-c2nc(-c3ccncc3)no2)CC1 ZINC000070458048 402260820 /nfs/dbraw/zinc/26/08/20/402260820.db2.gz SWLVJKDPAFGTRK-UHFFFAOYSA-N 1 0 322.372 2.121 10 0 DEAERO [NH3+][C@@H]1CCCN(c2cccc(I)c2)C1 ZINC000070584947 402262454 /nfs/dbraw/zinc/26/24/54/402262454.db2.gz UYAWSUZVBINMSL-SNVBAGLBSA-N 1 0 302.159 2.219 10 0 DEAERO C[C@@]1(C(=O)NCc2cc(Br)cs2)CCC[NH2+]1 ZINC000070619495 402262468 /nfs/dbraw/zinc/26/24/68/402262468.db2.gz ZANHPZNJZIWCHL-NSHDSACASA-N 1 0 303.225 2.269 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCc3ccccc3O)CC[C@@H]21 ZINC000154327115 402205931 /nfs/dbraw/zinc/20/59/31/402205931.db2.gz KAXCJXSNQOUZHI-CVEARBPZSA-N 1 0 302.418 2.268 10 0 DEAERO COc1ccccc1CC1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000154368663 402208925 /nfs/dbraw/zinc/20/89/25/402208925.db2.gz ZDBZMLYRXUDNRS-UHFFFAOYSA-N 1 0 302.418 2.228 10 0 DEAERO COCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862862 402209702 /nfs/dbraw/zinc/20/97/02/402209702.db2.gz BLAYBIRTSFWKRN-GOSISDBHSA-N 1 0 306.450 2.010 10 0 DEAERO CCCC[C@H](C(=O)OC)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105918312 402211216 /nfs/dbraw/zinc/21/12/16/402211216.db2.gz AQBZMNNTFFNHMQ-OAHLLOKOSA-N 1 0 307.438 2.406 10 0 DEAERO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000105933467 402211286 /nfs/dbraw/zinc/21/12/86/402211286.db2.gz HOZANNGVRXFZIY-GJZGRUSLSA-N 1 0 319.449 2.057 10 0 DEAERO Cc1ncc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)s1 ZINC000185079538 402322890 /nfs/dbraw/zinc/32/28/90/402322890.db2.gz SETVACABKQWAMT-UHFFFAOYSA-N 1 0 322.409 2.112 10 0 DEAERO CCC[C@H](C(=O)NC[C@@](C)(O)c1cccc(Cl)c1)[NH+](C)C ZINC000185076638 402322926 /nfs/dbraw/zinc/32/29/26/402322926.db2.gz SFSSFRQIMCKLDQ-GDBMZVCRSA-N 1 0 312.841 2.394 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H](C(=O)OCc2ccccc2)[C@@H]1[NH3+] ZINC000071186772 402270953 /nfs/dbraw/zinc/27/09/53/402270953.db2.gz MWWOMPCCBLHWMK-ZIAGYGMSSA-N 1 0 320.389 2.272 10 0 DEAERO CC(C)(C)OC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@H]1[NH3+] ZINC000071186556 402270982 /nfs/dbraw/zinc/27/09/82/402270982.db2.gz JRBKUWVIXPIARC-UONOGXRCSA-N 1 0 320.389 2.272 10 0 DEAERO C[C@H](O)CC(C)(C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000176083271 402277226 /nfs/dbraw/zinc/27/72/26/402277226.db2.gz GUJICJOQHDRWGF-HOCLYGCPSA-N 1 0 306.450 2.073 10 0 DEAERO C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCCCC1 ZINC000176626432 402324548 /nfs/dbraw/zinc/32/45/48/402324548.db2.gz CNGHXJGDRGBHKJ-CQSZACIVSA-N 1 0 302.484 2.313 10 0 DEAERO COC(=O)C1(N)CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000215955340 402285522 /nfs/dbraw/zinc/28/55/22/402285522.db2.gz FCBNQBDYDATFQN-UHFFFAOYSA-N 1 0 302.296 2.176 10 0 DEAERO CC(=O)[C@@H]1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1(C)C ZINC000156698103 402287018 /nfs/dbraw/zinc/28/70/18/402287018.db2.gz LOMPNORCQIXFSR-OWCLPIDISA-N 1 0 308.466 2.474 10 0 DEAERO Cc1nn(C)c(C)c1CN1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000184668451 402290023 /nfs/dbraw/zinc/29/00/23/402290023.db2.gz KLWFDCRNLZUQNQ-MRXNPFEDSA-N 1 0 320.481 2.112 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000176339944 402301196 /nfs/dbraw/zinc/30/11/96/402301196.db2.gz QLPGPBKHFFICOE-CQSZACIVSA-N 1 0 318.421 2.042 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1nc(COC)cs1 ZINC000176382136 402304225 /nfs/dbraw/zinc/30/42/25/402304225.db2.gz GYBZYZXLRAWTHA-GFCCVEGCSA-N 1 0 312.439 2.238 10 0 DEAERO CCOc1cccnc1C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000176386946 402304888 /nfs/dbraw/zinc/30/48/88/402304888.db2.gz FSAOVYJHVTZKRH-CQSZACIVSA-N 1 0 305.422 2.475 10 0 DEAERO Cc1cccc(F)c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000184915584 402309317 /nfs/dbraw/zinc/30/93/17/402309317.db2.gz GKGYFCOVXBGPBN-CHWSQXEVSA-N 1 0 314.426 2.237 10 0 DEAERO CC(C)[C@](C)(O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000184948846 402311894 /nfs/dbraw/zinc/31/18/94/402311894.db2.gz LLFUYXJXDAUTTP-GOSISDBHSA-N 1 0 304.434 2.288 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000176475248 402313118 /nfs/dbraw/zinc/31/31/18/402313118.db2.gz KMTBNJSDJXPDGG-UHFFFAOYSA-N 1 0 321.469 2.213 10 0 DEAERO CCOc1ccccc1CCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184985756 402314628 /nfs/dbraw/zinc/31/46/28/402314628.db2.gz YRBGTSPWRNKUDI-XHSDSOJGSA-N 1 0 302.418 2.214 10 0 DEAERO CC(C)(O)C[NH+]1CCN(C(=O)C/C=C/c2cccc(F)c2)CC1 ZINC000176528153 402317200 /nfs/dbraw/zinc/31/72/00/402317200.db2.gz KRZADJCOQRINFW-GQCTYLIASA-N 1 0 320.408 2.144 10 0 DEAERO Cc1ccc(CC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000176869100 402344487 /nfs/dbraw/zinc/34/44/87/402344487.db2.gz LHIQLEIFAJUDAG-MRXNPFEDSA-N 1 0 318.461 2.089 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(F)c1C ZINC000176892146 402346903 /nfs/dbraw/zinc/34/69/03/402346903.db2.gz BPJZGYYRGZHUON-ZDUSSCGKSA-N 1 0 321.396 2.015 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000185371812 402347821 /nfs/dbraw/zinc/34/78/21/402347821.db2.gz XPKDSCWIAQFHHD-OAHLLOKOSA-N 1 0 322.453 2.276 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@H]2CCC[C@@H]2O)C1 ZINC000230702363 402351612 /nfs/dbraw/zinc/35/16/12/402351612.db2.gz WPFIPBJGOHFPBL-ZNMIVQPWSA-N 1 0 312.454 2.384 10 0 DEAERO CN(C)S(=O)(=O)CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000230992901 402354003 /nfs/dbraw/zinc/35/40/03/402354003.db2.gz WNLUESQGJRCTRN-CQSZACIVSA-N 1 0 316.854 2.272 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(NC(C)=O)ccc1F ZINC000176980592 402356595 /nfs/dbraw/zinc/35/65/95/402356595.db2.gz SFWULOFQZCNGKP-CQSZACIVSA-N 1 0 321.396 2.340 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000176995082 402357454 /nfs/dbraw/zinc/35/74/54/402357454.db2.gz CFUWULLDTQJUBI-HEWZJLJBSA-N 1 0 316.401 2.371 10 0 DEAERO O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccc(Cl)cc1Cl ZINC000232741563 402358048 /nfs/dbraw/zinc/35/80/48/402358048.db2.gz RILZQSLTMDJECJ-GFCCVEGCSA-N 1 0 317.216 2.378 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(OC)cc1OC ZINC000177035527 402362262 /nfs/dbraw/zinc/36/22/62/402362262.db2.gz HEXFDVMFJIDGEA-CYBMUJFWSA-N 1 0 306.406 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc2c(c1)OCCO2 ZINC000177035799 402362317 /nfs/dbraw/zinc/36/23/17/402362317.db2.gz SCDNSZDOWQSMCK-AWEZNQCLSA-N 1 0 304.390 2.014 10 0 DEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000236913486 402388192 /nfs/dbraw/zinc/38/81/92/402388192.db2.gz AFFXPNUJFXILTI-RRFJBIMHSA-N 1 0 309.841 2.329 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000185714133 402371044 /nfs/dbraw/zinc/37/10/44/402371044.db2.gz VOHQACXNXYCMRW-CVEARBPZSA-N 1 0 313.486 2.155 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCOc1ccc(C)cc1 ZINC000177295626 402388826 /nfs/dbraw/zinc/38/88/26/402388826.db2.gz ZOGRAHNNSUBWTR-INIZCTEOSA-N 1 0 319.449 2.500 10 0 DEAERO O=C(CC[N@@H+]1CCO[C@@]2(CCOC2)C1)Nc1cccc(Cl)c1 ZINC000185205058 402334237 /nfs/dbraw/zinc/33/42/37/402334237.db2.gz PBPQDVVWUQKNGX-INIZCTEOSA-N 1 0 324.808 2.160 10 0 DEAERO CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000185211060 402334697 /nfs/dbraw/zinc/33/46/97/402334697.db2.gz VHNSPJYQZXAABU-CABCVRRESA-N 1 0 302.422 2.064 10 0 DEAERO CCC[C@@H](C(=O)NCCCN(C)c1ccccc1F)[NH+](C)C ZINC000161701495 402396424 /nfs/dbraw/zinc/39/64/24/402396424.db2.gz KMEKRSIQCIVXBB-INIZCTEOSA-N 1 0 309.429 2.499 10 0 DEAERO COC(=O)c1ccc(N(C)CC[C@@H]2CCCC[N@@H+]2C)nc1OC ZINC000186091747 402400626 /nfs/dbraw/zinc/40/06/26/402400626.db2.gz JBJQZDSKQVBQGM-ZDUSSCGKSA-N 1 0 321.421 2.187 10 0 DEAERO COc1cccc(F)c1[C@@H](C)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237283156 402402206 /nfs/dbraw/zinc/40/22/06/402402206.db2.gz QDBMVVOFRSHUIL-NEPJUHHUSA-N 1 0 306.381 2.401 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCOC1CCCC1 ZINC000177450627 402403712 /nfs/dbraw/zinc/40/37/12/402403712.db2.gz NFHDERUGNCNRKV-OAHLLOKOSA-N 1 0 311.470 2.461 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000161982983 402405650 /nfs/dbraw/zinc/40/56/50/402405650.db2.gz CGWNFYDWKHIWQO-MRXNPFEDSA-N 1 0 323.412 2.331 10 0 DEAERO CCC[C@@H](C(=O)N[C@H](C)c1nc2ccccc2n1C)[NH+](C)C ZINC000162209213 402413050 /nfs/dbraw/zinc/41/30/50/402413050.db2.gz JUNHWPTWAUKUFK-DOMZBBRYSA-N 1 0 302.422 2.481 10 0 DEAERO COc1cc(OC)cc([C@@H]2CCN(C(=O)C[C@H]3CCC[NH2+]3)C2)c1 ZINC000162206755 402413331 /nfs/dbraw/zinc/41/33/31/402413331.db2.gz JHSJJBQDGBYJOB-UKRRQHHQSA-N 1 0 318.417 2.162 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000162420684 402419247 /nfs/dbraw/zinc/41/92/47/402419247.db2.gz LINWXNQUOVJGLF-SWLSCSKDSA-N 1 0 320.437 2.102 10 0 DEAERO COc1cccc2c1CC[C@H]2NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177625576 402421875 /nfs/dbraw/zinc/42/18/75/402421875.db2.gz PPERMVUMPGLNKC-CZUORRHYSA-N 1 0 315.417 2.172 10 0 DEAERO C[C@H]([NH2+]CC1(O)CCOCC1)c1ccccc1OC(F)F ZINC000162609008 402425987 /nfs/dbraw/zinc/42/59/87/402425987.db2.gz QTRXTQZUIRNBFJ-NSHDSACASA-N 1 0 301.333 2.480 10 0 DEAERO COc1ccc(F)cc1CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000186373894 402425990 /nfs/dbraw/zinc/42/59/90/402425990.db2.gz NUEMESDSZXELLB-IUODEOHRSA-N 1 0 306.381 2.072 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]CCCNc2ccccn2)C12CCOCC2 ZINC000186376376 402426061 /nfs/dbraw/zinc/42/60/61/402426061.db2.gz DRLPCNUVQIVOQB-JKSUJKDBSA-N 1 0 319.449 2.447 10 0 DEAERO CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1nccs1 ZINC000162645693 402427309 /nfs/dbraw/zinc/42/73/09/402427309.db2.gz HAUIKQZQJRHSJO-CHWSQXEVSA-N 1 0 308.451 2.474 10 0 DEAERO CCc1nc(NC(=O)CN(C)C[C@@H]2CCC[N@H+]2CC)sc1C ZINC000177712460 402429654 /nfs/dbraw/zinc/42/96/54/402429654.db2.gz HSEUWKYTXMZLSC-ZDUSSCGKSA-N 1 0 324.494 2.369 10 0 DEAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177753015 402432973 /nfs/dbraw/zinc/43/29/73/402432973.db2.gz MGFVFVANRRBVSZ-BRWVUGGUSA-N 1 0 307.482 2.194 10 0 DEAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCCn2cnc3ccccc32)C1 ZINC000238041228 402434177 /nfs/dbraw/zinc/43/41/77/402434177.db2.gz DHEJGMPJBVRGRR-KBPBESRZSA-N 1 0 300.406 2.060 10 0 DEAERO O=C(C[NH2+]CC1CC1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000162885221 402435160 /nfs/dbraw/zinc/43/51/60/402435160.db2.gz OAWQETOXLMWEFV-UONOGXRCSA-N 1 0 308.447 2.162 10 0 DEAERO NC(=O)N1CCC([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000163360845 402447834 /nfs/dbraw/zinc/44/78/34/402447834.db2.gz OWCSYWPFAOIKCU-AWEZNQCLSA-N 1 0 322.840 2.051 10 0 DEAERO C[C@]1(C(N)=O)CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000185957430 402392956 /nfs/dbraw/zinc/39/29/56/402392956.db2.gz BLBVBAYQDPDJPT-MRXNPFEDSA-N 1 0 323.824 2.399 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccc(N(CC)CC)nc1)[NH+](C)C ZINC000161612507 402393764 /nfs/dbraw/zinc/39/37/64/402393764.db2.gz YFCPRPFVNDOXNE-HNNXBMFYSA-N 1 0 306.454 2.274 10 0 DEAERO C[C@H]1C[N@H+](CC2CCC(C(F)(F)F)CC2)CCN1CCO ZINC000187734503 402510283 /nfs/dbraw/zinc/51/02/83/402510283.db2.gz VJBNXPYGXKFDCR-HSBZDZAISA-N 1 0 308.388 2.354 10 0 DEAERO C[C@@H](NC(=O)NCC1(CCO)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187790259 402511328 /nfs/dbraw/zinc/51/13/28/402511328.db2.gz ZPNRHQQPXGVSEK-CABCVRRESA-N 1 0 323.481 2.101 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 ZINC000245396497 402455443 /nfs/dbraw/zinc/45/54/43/402455443.db2.gz LNIMQMIEEUURTO-SCLBCKFNSA-N 1 0 318.417 2.005 10 0 DEAERO C[C@H]([NH2+]CC1CCSCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000163702052 402455961 /nfs/dbraw/zinc/45/59/61/402455961.db2.gz YLPKFBPMQDFVMC-NSHDSACASA-N 1 0 314.476 2.128 10 0 DEAERO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@](C)(O)C1 ZINC000163747637 402456333 /nfs/dbraw/zinc/45/63/33/402456333.db2.gz LRJVYQYHUBKSRQ-DOTOQJQBSA-N 1 0 311.470 2.053 10 0 DEAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCn2ccnc21 ZINC000245422138 402458590 /nfs/dbraw/zinc/45/85/90/402458590.db2.gz PACXHIMJNYGREC-XUWVNRHRSA-N 1 0 318.465 2.243 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCCn3ccnc32)C1 ZINC000245416941 402458676 /nfs/dbraw/zinc/45/86/76/402458676.db2.gz JBWRTLMCYFLZTJ-XHSDSOJGSA-N 1 0 318.465 2.245 10 0 DEAERO C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245427370 402459539 /nfs/dbraw/zinc/45/95/39/402459539.db2.gz VZTMZTUKOFYDFL-FXRXJOCMSA-N 1 0 316.445 2.236 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000245476171 402464619 /nfs/dbraw/zinc/46/46/19/402464619.db2.gz SNTGAHDAZWJOFJ-QZTJIDSGSA-N 1 0 315.461 2.422 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](COC)c1ccc(C)o1 ZINC000245479776 402464637 /nfs/dbraw/zinc/46/46/37/402464637.db2.gz WRDMLURIMFZYBV-HUUCEWRRSA-N 1 0 323.437 2.401 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NCCc1cccs1 ZINC000245474648 402464961 /nfs/dbraw/zinc/46/49/61/402464961.db2.gz RDGHAHJIZHTKDA-HUUCEWRRSA-N 1 0 323.506 2.211 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccnc1Br ZINC000246140415 402512528 /nfs/dbraw/zinc/51/25/28/402512528.db2.gz XFTKYJIGORPUIJ-QWRGUYRKSA-N 1 0 324.222 2.153 10 0 DEAERO Cc1noc(C)c1[C@H](C)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245562526 402471432 /nfs/dbraw/zinc/47/14/32/402471432.db2.gz VMHPWSWIPPTZOB-JMSVASOKSA-N 1 0 305.422 2.480 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)cc1 ZINC000164968028 402471519 /nfs/dbraw/zinc/47/15/19/402471519.db2.gz HDTFRYVWHAWTIQ-WMLDXEAASA-N 1 0 320.433 2.229 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)c1ccncc1 ZINC000245565778 402471689 /nfs/dbraw/zinc/47/16/89/402471689.db2.gz SEXFOPYYPKEBJH-HOCLYGCPSA-N 1 0 316.449 2.237 10 0 DEAERO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000245563845 402471695 /nfs/dbraw/zinc/47/16/95/402471695.db2.gz QFUSVFJAJDZHBU-BZSNNMDCSA-N 1 0 320.502 2.355 10 0 DEAERO CC[C@H](COC)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245615586 402474580 /nfs/dbraw/zinc/47/45/80/402474580.db2.gz CTRVCRWVZHMKIO-PMPSAXMXSA-N 1 0 305.422 2.156 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ncccc1C(F)(F)F ZINC000245628211 402475332 /nfs/dbraw/zinc/47/53/32/402475332.db2.gz UIMRMDIAFKPLPS-QWRGUYRKSA-N 1 0 313.323 2.409 10 0 DEAERO COC[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245663991 402477598 /nfs/dbraw/zinc/47/75/98/402477598.db2.gz QKNPTPMAFPIPAA-BMFZPTHFSA-N 1 0 305.422 2.014 10 0 DEAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)o1 ZINC000178299788 402481716 /nfs/dbraw/zinc/48/17/16/402481716.db2.gz MWCXPHLEPCZOJT-ZDUSSCGKSA-N 1 0 303.362 2.236 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCC(C)(C)O2)CC1 ZINC000187092345 402482194 /nfs/dbraw/zinc/48/21/94/402482194.db2.gz BVJHGQDGVACDIL-HNNXBMFYSA-N 1 0 311.470 2.365 10 0 DEAERO COCCCOc1cccc(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000245723148 402482478 /nfs/dbraw/zinc/48/24/78/402482478.db2.gz IIKYBPZOJJMCKF-KRWDZBQOSA-N 1 0 304.434 2.382 10 0 DEAERO C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@H]1c1ccccc1 ZINC000246154896 402513241 /nfs/dbraw/zinc/51/32/41/402513241.db2.gz DHVZQEXMQKEUKB-HLLBOEOZSA-N 1 0 322.474 2.351 10 0 DEAERO COc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc2c1OCCO2 ZINC000245771274 402486957 /nfs/dbraw/zinc/48/69/57/402486957.db2.gz RUFLZGPBMMQVPR-GJZGRUSLSA-N 1 0 319.401 2.467 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(N2CCCC2)nc1 ZINC000245771284 402487250 /nfs/dbraw/zinc/48/72/50/402487250.db2.gz RUFZCIKUAMSCRG-RDJZCZTQSA-N 1 0 300.450 2.350 10 0 DEAERO CC[N@H+](C)[C@@H](C(=O)N1CCN2CCCC[C@H]2C1)c1ccccc1 ZINC000245869457 402492646 /nfs/dbraw/zinc/49/26/46/402492646.db2.gz VQTAGBCKMBXNFC-ZWKOTPCHSA-N 1 0 315.461 2.376 10 0 DEAERO CN(C)c1ccnc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000245868281 402492855 /nfs/dbraw/zinc/49/28/55/402492855.db2.gz LQSAAOUYRHRDFS-SJLPKXTDSA-N 1 0 324.428 2.323 10 0 DEAERO Cc1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c(C)n1 ZINC000187305919 402493019 /nfs/dbraw/zinc/49/30/19/402493019.db2.gz QVBZEAZRSZHNFP-QGZVFWFLSA-N 1 0 314.433 2.378 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cncc(C)c1 ZINC000245989285 402502018 /nfs/dbraw/zinc/50/20/18/402502018.db2.gz WRMZJMVEXHBDMN-CVEARBPZSA-N 1 0 302.422 2.158 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)C1 ZINC000245998689 402502629 /nfs/dbraw/zinc/50/26/29/402502629.db2.gz DNVDNHDWFPVRNK-ZACQAIPSSA-N 1 0 317.433 2.252 10 0 DEAERO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000187682197 402507836 /nfs/dbraw/zinc/50/78/36/402507836.db2.gz OXKAOMGCVAGLJA-KBPBESRZSA-N 1 0 320.433 2.277 10 0 DEAERO COC(=O)c1oc([C@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)cc1C ZINC000178533702 402508545 /nfs/dbraw/zinc/50/85/45/402508545.db2.gz VIYNCPQMIHETCS-LBPRGKRZSA-N 1 0 322.405 2.236 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+]Cc2cc(C(N)=O)co2)cc1OC ZINC000187707424 402509023 /nfs/dbraw/zinc/50/90/23/402509023.db2.gz AXNXDXPZGRDXNU-NSHDSACASA-N 1 0 318.373 2.117 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC(C)(C)CO ZINC000246095047 402509351 /nfs/dbraw/zinc/50/93/51/402509351.db2.gz OFUWMHIXVHGSCM-CABCVRRESA-N 1 0 311.470 2.053 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)C[C@H]1C ZINC000246728173 402542832 /nfs/dbraw/zinc/54/28/32/402542832.db2.gz MBCBBPXVULSUAX-AMVTZNPPSA-N 1 0 322.836 2.267 10 0 DEAERO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCCOC2)cc1 ZINC000170934878 402543107 /nfs/dbraw/zinc/54/31/07/402543107.db2.gz SOLAUTGKWYYGJA-MRXNPFEDSA-N 1 0 320.433 2.316 10 0 DEAERO CCOCC[N@@H+]1CCN(c2ccc(OC(F)F)cn2)C[C@H]1C ZINC000246797055 402544756 /nfs/dbraw/zinc/54/47/56/402544756.db2.gz POEJFRLHIBOOPJ-GFCCVEGCSA-N 1 0 315.364 2.230 10 0 DEAERO CC(C)[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CCS1 ZINC000246805621 402545825 /nfs/dbraw/zinc/54/58/25/402545825.db2.gz DDTAEIJBEMPIPY-KFWWJZLASA-N 1 0 313.511 2.498 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000246825496 402546043 /nfs/dbraw/zinc/54/60/43/402546043.db2.gz UMRYESDGBRBBIE-VQHPVUNQSA-N 1 0 323.481 2.364 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CC(C)(C)c2ccccc2)C[C@@H]1C ZINC000246866823 402548145 /nfs/dbraw/zinc/54/81/45/402548145.db2.gz VWCDMGQTTXCILW-HOTGVXAUSA-N 1 0 318.461 2.268 10 0 DEAERO CC[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1)c1ccccc1 ZINC000246909241 402548894 /nfs/dbraw/zinc/54/88/94/402548894.db2.gz QAXLXGAXCYQPDT-SZMVWBNQSA-N 1 0 318.461 2.484 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000246922067 402549445 /nfs/dbraw/zinc/54/94/45/402549445.db2.gz JEMACGWFAWGGII-ARFHVFGLSA-N 1 0 311.470 2.317 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@H](C)Cc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000246962108 402551004 /nfs/dbraw/zinc/55/10/04/402551004.db2.gz SRBFTDQKPOUGOG-JFIYKMOQSA-N 1 0 318.461 2.169 10 0 DEAERO CCOC(=O)CCC[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000171037707 402551372 /nfs/dbraw/zinc/55/13/72/402551372.db2.gz SDPUJASKBREXRQ-HNNXBMFYSA-N 1 0 305.422 2.467 10 0 DEAERO Cc1noc(Cl)c1CCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247013170 402553741 /nfs/dbraw/zinc/55/37/41/402553741.db2.gz FWGVTNSQBMEZKI-ZYHUDNBSSA-N 1 0 311.813 2.264 10 0 DEAERO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000178939197 402557303 /nfs/dbraw/zinc/55/73/03/402557303.db2.gz KEYGUTWUINFYKF-SNVBAGLBSA-N 1 0 320.817 2.018 10 0 DEAERO COc1cccc(CCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247126962 402557654 /nfs/dbraw/zinc/55/76/54/402557654.db2.gz JFXJTMSRPWWMEH-ZBFHGGJFSA-N 1 0 302.418 2.323 10 0 DEAERO C[N@H+](C[C@@H](O)Cc1ccccc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000247730930 402575177 /nfs/dbraw/zinc/57/51/77/402575177.db2.gz UMDLKJNARAAYNG-OALUTQOASA-N 1 0 324.424 2.327 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000247175246 402558716 /nfs/dbraw/zinc/55/87/16/402558716.db2.gz NDGPHZIXXMIEOG-CABCVRRESA-N 1 0 309.454 2.350 10 0 DEAERO COC(=O)CCNC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000171127944 402559911 /nfs/dbraw/zinc/55/99/11/402559911.db2.gz YDAWNBMDSRTUON-INIZCTEOSA-N 1 0 324.808 2.060 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000247200522 402559970 /nfs/dbraw/zinc/55/99/70/402559970.db2.gz LPJZYNXSJOTLIY-YJBOKZPZSA-N 1 0 324.428 2.110 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCO[C@H]1C(C)C ZINC000247223222 402560534 /nfs/dbraw/zinc/56/05/34/402560534.db2.gz YQQWICXFIZQGDH-OAGGEKHMSA-N 1 0 313.486 2.467 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000247221699 402560821 /nfs/dbraw/zinc/56/08/21/402560821.db2.gz MJEJCBBFRSLERQ-NEPJUHHUSA-N 1 0 316.430 2.447 10 0 DEAERO O[C@]1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CCOC1 ZINC000179019972 402565070 /nfs/dbraw/zinc/56/50/70/402565070.db2.gz CSVRMVAFQHTRHQ-KRWDZBQOSA-N 1 0 302.349 2.129 10 0 DEAERO O=C(N[C@H]1CCc2cc(F)ccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247374908 402565570 /nfs/dbraw/zinc/56/55/70/402565570.db2.gz FPNLBTLPWYMIEN-HOCLYGCPSA-N 1 0 303.381 2.303 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000189955855 402568346 /nfs/dbraw/zinc/56/83/46/402568346.db2.gz OLTCHFJNTVHJSS-ZIAGYGMSSA-N 1 0 320.437 2.325 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCNC1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000179065231 402569909 /nfs/dbraw/zinc/56/99/09/402569909.db2.gz KEDOGCWISNZZHU-JOYOIKCWSA-N 1 0 302.296 2.167 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)CC1(CO)CC1 ZINC000190023899 402571281 /nfs/dbraw/zinc/57/12/81/402571281.db2.gz AKMRAXUJZBVUAU-QWHCGFSZSA-N 1 0 308.397 2.096 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)c1cn2ccnc2s1)c1cccs1 ZINC000188222837 402517621 /nfs/dbraw/zinc/51/76/21/402517621.db2.gz MHSRYBXOZWKNKQ-SNVBAGLBSA-N 1 0 320.443 2.490 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000188297107 402518669 /nfs/dbraw/zinc/51/86/69/402518669.db2.gz OBROSHJCNQELKS-INIZCTEOSA-N 1 0 313.486 2.155 10 0 DEAERO C[C@H](C(=O)NCc1ccccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178637700 402520772 /nfs/dbraw/zinc/52/07/72/402520772.db2.gz VXBVUWNLERUPGE-UKRRQHHQSA-N 1 0 321.852 2.125 10 0 DEAERO CCC[C@@H](C(=O)N1CCO[C@@H](c2cccc(F)c2)C1)[NH+](C)C ZINC000178656528 402522304 /nfs/dbraw/zinc/52/23/04/402522304.db2.gz GKNTWTZXFFDZPK-JKSUJKDBSA-N 1 0 308.397 2.456 10 0 DEAERO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000246304124 402523866 /nfs/dbraw/zinc/52/38/66/402523866.db2.gz JHNPJXZDOVEZBP-UUAJXVIYSA-N 1 0 307.482 2.096 10 0 DEAERO O=C(c1ncncc1Cl)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178669095 402524026 /nfs/dbraw/zinc/52/40/26/402524026.db2.gz ZWFYKJZLLSPIGE-BXUZGUMPSA-N 1 0 320.824 2.219 10 0 DEAERO CCC[C@H](C(=O)N1CCC[C@H](n2ccnc2CC)C1)[NH+](C)C ZINC000179110077 402573668 /nfs/dbraw/zinc/57/36/68/402573668.db2.gz JLGBSVQBZVVQAP-LSDHHAIUSA-N 1 0 306.454 2.339 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)c2ccccc21 ZINC000188975382 402529638 /nfs/dbraw/zinc/52/96/38/402529638.db2.gz ACZZTWJZYQZARC-NHYWBVRUSA-N 1 0 310.401 2.424 10 0 DEAERO C[C@H](OCCCNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170826970 402529811 /nfs/dbraw/zinc/52/98/11/402529811.db2.gz DLXLAZCPOOLRNG-RDJZCZTQSA-N 1 0 319.449 2.500 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2ccc(Cl)s2)C1 ZINC000170831628 402530247 /nfs/dbraw/zinc/53/02/47/402530247.db2.gz ULPLRTDTIYYHJM-SNVBAGLBSA-N 1 0 301.843 2.290 10 0 DEAERO C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)COCc1ccccc1 ZINC000170833606 402531063 /nfs/dbraw/zinc/53/10/63/402531063.db2.gz ZGQQYXQXNOWXIC-DOTOQJQBSA-N 1 0 319.449 2.185 10 0 DEAERO CC(C)Oc1ccccc1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170832914 402531071 /nfs/dbraw/zinc/53/10/71/402531071.db2.gz AQCKTQUMRAYKPV-OAHLLOKOSA-N 1 0 305.422 2.319 10 0 DEAERO C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)COCc1ccccc1 ZINC000170833600 402531137 /nfs/dbraw/zinc/53/11/37/402531137.db2.gz ZGQQYXQXNOWXIC-RDJZCZTQSA-N 1 0 319.449 2.185 10 0 DEAERO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)cnn1-c1ccccc1F ZINC000170856263 402533090 /nfs/dbraw/zinc/53/30/90/402533090.db2.gz QTOCVKLTMIIAFN-ZDUSSCGKSA-N 1 0 316.380 2.096 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000170856906 402533613 /nfs/dbraw/zinc/53/36/13/402533613.db2.gz BPTQBQDKXBAZSL-HNNXBMFYSA-N 1 0 324.428 2.137 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)c1ccc2nccn2c1)c1ccccc1 ZINC000170861653 402534254 /nfs/dbraw/zinc/53/42/54/402534254.db2.gz DNMQEZGXKOARKT-INIZCTEOSA-N 1 0 308.385 2.367 10 0 DEAERO CCc1ccc(C(=O)CCC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170861339 402534413 /nfs/dbraw/zinc/53/44/13/402534413.db2.gz BKXSPKFILTZNOH-MRXNPFEDSA-N 1 0 302.418 2.374 10 0 DEAERO CCOc1ccc(C(=O)CCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170862334 402534432 /nfs/dbraw/zinc/53/44/32/402534432.db2.gz HHVAPYUPTXIHDX-HNNXBMFYSA-N 1 0 318.417 2.211 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccn2Cc2cccs2)C1 ZINC000170864635 402535246 /nfs/dbraw/zinc/53/52/46/402535246.db2.gz SAWYUOSCORYTSE-CYBMUJFWSA-N 1 0 303.431 2.374 10 0 DEAERO CC(=O)c1cccc(OCCCC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170864217 402535292 /nfs/dbraw/zinc/53/52/92/402535292.db2.gz XEFQJIRRZPCBKA-MRXNPFEDSA-N 1 0 318.417 2.211 10 0 DEAERO Cc1oc(-c2cccs2)nc1CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170867885 402535887 /nfs/dbraw/zinc/53/58/87/402535887.db2.gz WUBQPGABRVKJMM-LBPRGKRZSA-N 1 0 319.430 2.417 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)CCC2CCOCC2)C1 ZINC000246542240 402536065 /nfs/dbraw/zinc/53/60/65/402536065.db2.gz LWPTYRSUHDAUMH-GDBMZVCRSA-N 1 0 311.470 2.173 10 0 DEAERO O=C(c1cnc(-c2ccco2)s1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000170894109 402538700 /nfs/dbraw/zinc/53/87/00/402538700.db2.gz XSJYWCIGSYLYKL-NSHDSACASA-N 1 0 303.387 2.323 10 0 DEAERO COc1ccc(OCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000247948180 402578712 /nfs/dbraw/zinc/57/87/12/402578712.db2.gz BKZNSZGLMZNDCD-MRXNPFEDSA-N 1 0 306.406 2.017 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1sc(COC)nc1C ZINC000247980001 402579610 /nfs/dbraw/zinc/57/96/10/402579610.db2.gz HHELGXQBCDHFKM-OLZOCXBDSA-N 1 0 323.462 2.297 10 0 DEAERO O=C(N[C@H]1CCCOC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000179218002 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ULUMJQUTSBNJAX-HNNXBMFYSA-N 1 0 318.465 2.315 10 0 DEAERO O=C(c1cccc(Oc2cnccn2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172570867 402663325 /nfs/dbraw/zinc/66/33/25/402663325.db2.gz MGBJPQBPPWVCKJ-HNNXBMFYSA-N 1 0 324.384 2.189 10 0 DEAERO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000182122494 402667641 /nfs/dbraw/zinc/66/76/41/402667641.db2.gz TTWVEKLADRSIEE-SUMWQHHRSA-N 1 0 306.406 2.085 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1O ZINC000182156342 402668962 /nfs/dbraw/zinc/66/89/62/402668962.db2.gz GOPPYZCOAXGIRF-AWEZNQCLSA-N 1 0 314.385 2.001 10 0 DEAERO C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000182199567 402671558 /nfs/dbraw/zinc/67/15/58/402671558.db2.gz GBYFRBRWFRGCMA-HIFRSBDPSA-N 1 0 310.463 2.225 10 0 DEAERO Cc1cnc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)s1 ZINC000172718351 402671793 /nfs/dbraw/zinc/67/17/93/402671793.db2.gz NOHXGVGSQBRANX-CQSZACIVSA-N 1 0 303.431 2.241 10 0 DEAERO COC(=O)c1ccccc1OCC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000182213545 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C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2ccccc2Cl)C[C@@H]1C ZINC000255205965 402681686 /nfs/dbraw/zinc/68/16/86/402681686.db2.gz HGGXBZWHGACREP-XQYKZARXSA-N 1 0 322.836 2.267 10 0 DEAERO CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000191784289 402692047 /nfs/dbraw/zinc/69/20/47/402692047.db2.gz VFOLNZPBWQHZCT-MRXNPFEDSA-N 1 0 305.470 2.109 10 0 DEAERO CSCC[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191986586 402702521 /nfs/dbraw/zinc/70/25/21/402702521.db2.gz RKWJHDJMFQPQRB-UHFFFAOYSA-N 1 0 302.484 2.087 10 0 DEAERO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)CCCCCC[NH3+])C1 ZINC000262646120 402728989 /nfs/dbraw/zinc/72/89/89/402728989.db2.gz USLIMPOIKMNSST-MNVSYLFESA-N 1 0 302.484 2.092 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000174149945 402729173 /nfs/dbraw/zinc/72/91/73/402729173.db2.gz CKISZDOTQACINC-UHFFFAOYSA-N 1 0 317.389 2.076 10 0 DEAERO Cc1ccc([C@H](CNC(=O)[C@@H]2CCOC[C@@H]2C)[NH+](C)C)cc1 ZINC000192455960 402730306 /nfs/dbraw/zinc/73/03/06/402730306.db2.gz PMUROGIIBRWQBQ-UAGQMJEPSA-N 1 0 304.434 2.387 10 0 DEAERO Cc1cc(F)cc2[nH]c(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cc21 ZINC000192462614 402730771 /nfs/dbraw/zinc/73/07/71/402730771.db2.gz XVWVXSPCGNIGIJ-TXEJJXNPSA-N 1 0 301.365 2.249 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1nccn1C ZINC000182982565 402731120 /nfs/dbraw/zinc/73/11/20/402731120.db2.gz UQEYEYZFTTVHQV-ZOBUZTSGSA-N 1 0 313.449 2.376 10 0 DEAERO CC[C@@]1(C)CCC[N@@H+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000174197230 402731284 /nfs/dbraw/zinc/73/12/84/402731284.db2.gz RHLVTRJZVGFNIL-PBHICJAKSA-N 1 0 304.438 2.346 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnn(CC3CC3)c2)CC[N@@H+]1C ZINC000174452750 402741982 /nfs/dbraw/zinc/74/19/82/402741982.db2.gz ZEQGSBPFACNRPU-DOMZBBRYSA-N 1 0 305.426 2.240 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(F)(F)c1ncccc1C ZINC000192672851 402743592 /nfs/dbraw/zinc/74/35/92/402743592.db2.gz AHARBCFCDIAATK-CYBMUJFWSA-N 1 0 311.376 2.425 10 0 DEAERO CC(C)Oc1ccccc1Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263276858 402753403 /nfs/dbraw/zinc/75/34/03/402753403.db2.gz SYOKBKLZNGUGHF-CQSZACIVSA-N 1 0 316.405 2.024 10 0 DEAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C1C[NH2+]C1 ZINC000263294832 402755289 /nfs/dbraw/zinc/75/52/89/402755289.db2.gz MESUHHGCLAZTFL-JTQLQIEISA-N 1 0 311.223 2.106 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ncccc1C ZINC000174754501 402755789 /nfs/dbraw/zinc/75/57/89/402755789.db2.gz NKPOIAYNGYQGPR-HUUCEWRRSA-N 1 0 302.422 2.158 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000263302752 402756304 /nfs/dbraw/zinc/75/63/04/402756304.db2.gz XGUCCMQHXVNWGX-NSHDSACASA-N 1 0 312.295 2.332 10 0 DEAERO Cc1nc(C)c(CCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000174804611 402757828 /nfs/dbraw/zinc/75/78/28/402757828.db2.gz VWLFWBRBHMTZPZ-BXUZGUMPSA-N 1 0 324.494 2.427 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC000263314719 402758022 /nfs/dbraw/zinc/75/80/22/402758022.db2.gz ZIAFMXAONAANBI-OPQQBVKSSA-N 1 0 320.343 2.195 10 0 DEAERO C[C@H](OC1CCCCCC1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263318515 402758592 /nfs/dbraw/zinc/75/85/92/402758592.db2.gz ZVWCKBLWZSXJOO-JSGCOSHPSA-N 1 0 308.426 2.446 10 0 DEAERO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C1CCCC1 ZINC000174921903 402763078 /nfs/dbraw/zinc/76/30/78/402763078.db2.gz NSTJDBOLXURPHC-ZBFHGGJFSA-N 1 0 311.470 2.317 10 0 DEAERO COC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174942376 402764878 /nfs/dbraw/zinc/76/48/78/402764878.db2.gz OSQBAAUSTYKPAE-RDJZCZTQSA-N 1 0 304.434 2.249 10 0 DEAERO CO[C@H](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000183620001 402782356 /nfs/dbraw/zinc/78/23/56/402782356.db2.gz YBHZEVPRIUQLPT-UXLLHSPISA-N 1 0 319.449 2.223 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OC)c(OC)c1 ZINC000175033114 402772930 /nfs/dbraw/zinc/77/29/30/402772930.db2.gz WYTSTMQAFPQKMW-HUUCEWRRSA-N 1 0 318.417 2.403 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1ccc(F)cc1 ZINC000175045110 402774377 /nfs/dbraw/zinc/77/43/77/402774377.db2.gz CVYOZFJKPHXZFN-IAGOWNOFSA-N 1 0 319.424 2.001 10 0 DEAERO C[C@H]1Cc2ccccc2N1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183543704 402775126 /nfs/dbraw/zinc/77/51/26/402775126.db2.gz LRQNZOBIYHWRRL-AWEZNQCLSA-N 1 0 324.428 2.329 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc(-n2cccn2)c1 ZINC000183575063 402778049 /nfs/dbraw/zinc/77/80/49/402778049.db2.gz PXNVUTJKVDJJSA-ZDUSSCGKSA-N 1 0 300.406 2.438 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1cccc(NCc2cocn2)c1 ZINC000192328450 402722896 /nfs/dbraw/zinc/72/28/96/402722896.db2.gz PRNQJLIWSOSKAT-UHFFFAOYSA-N 1 0 316.405 2.358 10 0 DEAERO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)nn1-c1ccccc1 ZINC000195333625 402842021 /nfs/dbraw/zinc/84/20/21/402842021.db2.gz OOKNCUIJGIXRFT-INIZCTEOSA-N 1 0 310.401 2.101 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000194325628 402792514 /nfs/dbraw/zinc/79/25/14/402792514.db2.gz ROZFCUWSINBCMK-BMFZPTHFSA-N 1 0 302.418 2.179 10 0 DEAERO CCOc1ccccc1NC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000175299350 402795393 /nfs/dbraw/zinc/79/53/93/402795393.db2.gz SORZPFUQTKSLDS-AWEZNQCLSA-N 1 0 321.421 2.006 10 0 DEAERO FC(F)(F)COCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183828474 402800523 /nfs/dbraw/zinc/80/05/23/402800523.db2.gz PGMABQFEXGQBEW-UHFFFAOYSA-N 1 0 303.328 2.173 10 0 DEAERO O[C@@H](COc1ccc(Cl)cc1)CN1CCC[N@@H+](C2CC2)CC1 ZINC000195339265 402843012 /nfs/dbraw/zinc/84/30/12/402843012.db2.gz ZMIHXEDCNSMWHN-MRXNPFEDSA-N 1 0 324.852 2.250 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCCCCC2)nc1 ZINC000194705069 402811763 /nfs/dbraw/zinc/81/17/63/402811763.db2.gz NDKPWOYCBQZZMB-INIZCTEOSA-N 1 0 316.449 2.286 10 0 DEAERO CCCCN1CCOC[C@H]1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000184161080 402823098 /nfs/dbraw/zinc/82/30/98/402823098.db2.gz GHGXXISVJSKQAC-INIZCTEOSA-N 1 0 319.405 2.084 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2cnn(C)c2C)CC1 ZINC000194941891 402823535 /nfs/dbraw/zinc/82/35/35/402823535.db2.gz DOFNPCUHSUFBDS-CYBMUJFWSA-N 1 0 321.469 2.211 10 0 DEAERO CC[N@H+](Cc1cnn(C)c1)Cc1ccc2c(c1)sc(=O)n2C ZINC000194994759 402825791 /nfs/dbraw/zinc/82/57/91/402825791.db2.gz BOXWGDINIYPJBB-UHFFFAOYSA-N 1 0 316.430 2.356 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2sccc2C)[C@H](C)C1 ZINC000175720490 402825947 /nfs/dbraw/zinc/82/59/47/402825947.db2.gz XYRLCNFSKKXHKM-HUUCEWRRSA-N 1 0 323.506 2.335 10 0 DEAERO COC(=O)c1coc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000184441568 402843860 /nfs/dbraw/zinc/84/38/60/402843860.db2.gz HMGLREFAXMBSDC-GFCCVEGCSA-N 1 0 308.378 2.061 10 0 DEAERO Cc1nc2n(n1)C[C@H](N[C@@H](c1cccs1)c1ncc[nH]1)CC2 ZINC000195021482 402827430 /nfs/dbraw/zinc/82/74/30/402827430.db2.gz TVATYTFBZFTKMQ-RISCZKNCSA-N 1 0 314.418 2.065 10 0 DEAERO Cc1[nH]c(=S)sc1CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195066092 402829779 /nfs/dbraw/zinc/82/97/79/402829779.db2.gz YBKYSDQLYRQLMC-LLVKDONJSA-N 1 0 311.476 2.353 10 0 DEAERO CN(C)c1ncccc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000195134145 402833408 /nfs/dbraw/zinc/83/34/08/402833408.db2.gz XFYRXFCZWGRFED-UHFFFAOYSA-N 1 0 312.417 2.139 10 0 DEAERO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000183635213 402783737 /nfs/dbraw/zinc/78/37/37/402783737.db2.gz QQPCMSROVJTKEH-QAPCUYQASA-N 1 0 312.413 2.323 10 0 DEAERO CNC(=O)[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)C(C)C ZINC000183635284 402784439 /nfs/dbraw/zinc/78/44/39/402784439.db2.gz DHIPMMHJYANKQZ-ZDUSSCGKSA-N 1 0 318.339 2.444 10 0 DEAERO CCCC[C@H](CCC)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000175988673 402846348 /nfs/dbraw/zinc/84/63/48/402846348.db2.gz YVGBOFGHORFNBC-HOTGVXAUSA-N 1 0 313.486 2.491 10 0 DEAERO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502640 402847536 /nfs/dbraw/zinc/84/75/36/402847536.db2.gz MWSICOWLCWLVER-HUUCEWRRSA-N 1 0 318.465 2.389 10 0 DEAERO CC(C)N(C(=O)C[NH+]1CCC(c2ccnn2C)CC1)C(C)C ZINC000195503547 402847572 /nfs/dbraw/zinc/84/75/72/402847572.db2.gz AZCYTWUKRDGNQG-UHFFFAOYSA-N 1 0 306.454 2.245 10 0 DEAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000195501647 402847663 /nfs/dbraw/zinc/84/76/63/402847663.db2.gz ANGDBWVBKYROJX-ZIAGYGMSSA-N 1 0 306.454 2.386 10 0 DEAERO CC(C)CN(C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1)C(C)C ZINC000195507396 402848043 /nfs/dbraw/zinc/84/80/43/402848043.db2.gz IHWQAZUOYKDCMM-UHFFFAOYSA-N 1 0 306.454 2.482 10 0 DEAERO CC(=O)c1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000265947325 402964414 /nfs/dbraw/zinc/96/44/14/402964414.db2.gz KBUNWJKECHIQAZ-CXAGYDPISA-N 1 0 302.418 2.373 10 0 DEAERO C[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC[N@@H+]1C ZINC000279210847 402916981 /nfs/dbraw/zinc/91/69/81/402916981.db2.gz MIVFEMYDUFDUEZ-JSGCOSHPSA-N 1 0 315.417 2.248 10 0 DEAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000280165285 402970747 /nfs/dbraw/zinc/97/07/47/402970747.db2.gz YCNSRWHIJKDQDB-OALUTQOASA-N 1 0 320.477 2.370 10 0 DEAERO c1[nH]nc2cc(C[NH2+]Cc3cccc(N4CCOCC4)n3)ccc12 ZINC000274854958 403094384 /nfs/dbraw/zinc/09/43/84/403094384.db2.gz YOHTXONJZVVHRY-UHFFFAOYSA-N 1 0 323.400 2.084 10 0 DEAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc2nccn21 ZINC000275550508 403104510 /nfs/dbraw/zinc/10/45/10/403104510.db2.gz NHPPNECEJMWCAG-HOCLYGCPSA-N 1 0 311.389 2.078 10 0 DEAERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cccc3c2OCO3)cn1 ZINC000275606939 403109195 /nfs/dbraw/zinc/10/91/95/403109195.db2.gz QSPVXBNFMACFKO-GOEBONIOSA-N 1 0 315.373 2.159 10 0 DEAERO Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000275887424 403130936 /nfs/dbraw/zinc/13/09/36/403130936.db2.gz ZFTPDWYAJWAGLH-KRWDZBQOSA-N 1 0 313.449 2.375 10 0 DEAERO CC(=O)N(c1nc(C[NH2+]C2(CCO)CCCC2)cs1)C1CC1 ZINC000285660168 403351747 /nfs/dbraw/zinc/35/17/47/403351747.db2.gz YYHAHOQUHBMZII-UHFFFAOYSA-N 1 0 323.462 2.443 10 0 DEAERO CC(=O)CC[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000298465109 403388283 /nfs/dbraw/zinc/38/82/83/403388283.db2.gz RXZQGOOHKJPWJH-CYBMUJFWSA-N 1 0 300.196 2.393 10 0 DEAERO C[C@@H]1CCC[C@](CNc2nn3c(nccc3=O)s2)([NH+](C)C)C1 ZINC000301072507 403586119 /nfs/dbraw/zinc/58/61/19/403586119.db2.gz HCGHUFWTYYLGHH-ABAIWWIYSA-N 1 0 321.450 2.073 10 0 DEAERO C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)C(=O)N1CCCC1 ZINC000343502160 403615664 /nfs/dbraw/zinc/61/56/64/403615664.db2.gz JZVOXCADTIDSDQ-ODIFPOPNSA-N 1 0 302.418 2.335 10 0 DEAERO CCn1ccnc1[C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333074384 403660543 /nfs/dbraw/zinc/66/05/43/403660543.db2.gz HDTVEUUXNXTVJP-AVOUXACISA-N 1 0 319.453 2.279 10 0 DEAERO Cc1cc2c(cc1NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)OCO2 ZINC000333097745 403665597 /nfs/dbraw/zinc/66/55/97/403665597.db2.gz DIRDVUDPZHMPLB-NEPJUHHUSA-N 1 0 305.378 2.233 10 0 DEAERO c1ccc(-c2nc3c(c(N4CC[NH+]5CCC4CC5)n2)CCC3)nc1 ZINC000302750117 403721484 /nfs/dbraw/zinc/72/14/84/403721484.db2.gz GSDHZNMTNUSBOK-UHFFFAOYSA-N 1 0 321.428 2.312 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000333471390 403759947 /nfs/dbraw/zinc/75/99/47/403759947.db2.gz AVCLRNJKOFQSRJ-XHSDSOJGSA-N 1 0 321.465 2.119 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c2ccccc2O1 ZINC000333731646 403835422 /nfs/dbraw/zinc/83/54/22/403835422.db2.gz HWTUYALMFMUBIV-MYZSUADSSA-N 1 0 303.406 2.196 10 0 DEAERO Cc1cnc(C2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)s1 ZINC000333678323 403811757 /nfs/dbraw/zinc/81/17/57/403811757.db2.gz OJULAPVCVMDAAI-BXUZGUMPSA-N 1 0 322.478 2.339 10 0 DEAERO CC(C)(C)OC(=O)N([C@H](C(=[NH2+])NO)c1cccnc1)C1CC1 ZINC000409441614 403826995 /nfs/dbraw/zinc/82/69/95/403826995.db2.gz QAMGXLNZVDDARS-LBPRGKRZSA-N 1 0 306.366 2.478 10 0 DEAERO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CS(=O)(=O)c4ccccc43)C[C@H]2C1 ZINC000333543878 403777472 /nfs/dbraw/zinc/77/74/72/403777472.db2.gz IHDSSHZGFQNKAG-XSEXMBABSA-N 1 0 321.442 2.308 10 0 DEAERO C[C@H](NC(=O)N[C@H]1CCCC[NH2+]C1)[C@H]1OCCc2sccc21 ZINC000333579030 403783624 /nfs/dbraw/zinc/78/36/24/403783624.db2.gz NKWSLUKLGIETHR-SLEUVZQESA-N 1 0 323.462 2.192 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](O)CC12CCC2 ZINC000333621740 403794569 /nfs/dbraw/zinc/79/45/69/403794569.db2.gz ZPFXPNYPZPNMSX-CVEARBPZSA-N 1 0 323.481 2.196 10 0 DEAERO CN1C(=O)CC[C@@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1=O ZINC000333619416 403794945 /nfs/dbraw/zinc/79/49/45/403794945.db2.gz TYIZMUZIYQBNHE-ZIAGYGMSSA-N 1 0 314.385 2.170 10 0 DEAERO CC1(C)CN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@@H]1c1cccnc1 ZINC000333627464 403796881 /nfs/dbraw/zinc/79/68/81/403796881.db2.gz FZZNDZOIRWIZHJ-LSDHHAIUSA-N 1 0 302.422 2.316 10 0 DEAERO COc1ccccc1[C@H]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333641187 403801270 /nfs/dbraw/zinc/80/12/70/403801270.db2.gz IGUHWSWCIZLBAT-LSDHHAIUSA-N 1 0 317.433 2.336 10 0 DEAERO CC(C)c1noc(-c2ccnc(N3CC[C@H]4[NH2+]CC[C@H]4C3)c2)n1 ZINC000333874328 403894541 /nfs/dbraw/zinc/89/45/41/403894541.db2.gz CHDHSJSGICXGRJ-UONOGXRCSA-N 1 0 313.405 2.443 10 0 DEAERO Cc1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)nn1-c1ccc(C)cc1 ZINC000333761628 403850139 /nfs/dbraw/zinc/85/01/39/403850139.db2.gz ANYLDHCFQDLVHL-UHFFFAOYSA-N 1 0 324.428 2.457 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000333781700 403859609 /nfs/dbraw/zinc/85/96/09/403859609.db2.gz DVAJFQDBEFKPOA-HRCADAONSA-N 1 0 323.481 2.365 10 0 DEAERO O=C(c1cc(C2CCCCC2)n[nH]1)N1CCC2(CC[NH2+]2)CC1 ZINC000333827246 403875292 /nfs/dbraw/zinc/87/52/92/403875292.db2.gz LVFYQHMHUNKPFU-UHFFFAOYSA-N 1 0 302.422 2.426 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000333834542 403878590 /nfs/dbraw/zinc/87/85/90/403878590.db2.gz NDJXKAJVWPFXMA-JKSUJKDBSA-N 1 0 321.396 2.051 10 0 DEAERO CC1(C)C[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C(C)(C)O1 ZINC000333841116 403880386 /nfs/dbraw/zinc/88/03/86/403880386.db2.gz VCQWENUGLAEAOI-ZDUSSCGKSA-N 1 0 309.454 2.118 10 0 DEAERO C([NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)C1(N2CCOCC2)CC1 ZINC000341372558 403938698 /nfs/dbraw/zinc/93/86/98/403938698.db2.gz ODPAMZWJNRAAHO-ULQDDVLXSA-N 1 0 308.466 2.036 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@H+](CCN1CCO[C@H](C)C1)CC2 ZINC000369118195 403971361 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Cc1nc([C@H]2CCCN2C(=O)[C@H](C)[NH+]2CCCCCC2)no1 ZINC000329416611 404330956 /nfs/dbraw/zinc/33/09/56/404330956.db2.gz ZGRDBTCWEVIDKQ-GXTWGEPZSA-N 1 0 306.410 2.306 10 0 DEAERO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(O)c3)n1)OC2 ZINC000329698325 404425287 /nfs/dbraw/zinc/42/52/87/404425287.db2.gz YUPKPQFSTZLBSZ-CJNGLKHVSA-N 1 0 301.346 2.368 10 0 DEAERO CN(c1nc(CN2CCc3cc[nH]c(=O)c3C2)cs1)C1CC1 ZINC000330208011 404587091 /nfs/dbraw/zinc/58/70/91/404587091.db2.gz GKMNBUKQQWXGPQ-UHFFFAOYSA-N 1 0 316.430 2.401 10 0 DEAERO c1nn(-c2ccccc2)c2ncnc(N3CCO[C@H](C4CC4)C3)c12 ZINC000330149971 404566592 /nfs/dbraw/zinc/56/65/92/404566592.db2.gz VKEHAIFSYKMVOW-INIZCTEOSA-N 1 0 321.384 2.431 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)c2ncnc3c2ncn3C2CC2)C[C@H]1C ZINC000330308935 404622473 /nfs/dbraw/zinc/62/24/73/404622473.db2.gz TWFRDCLPOIEUNO-TZMCWYRMSA-N 1 0 314.437 2.470 10 0 DEAERO C[NH+](C)CCOc1cc(C(=O)N2CCCC23CCC3)ccn1 ZINC000365617708 404700849 /nfs/dbraw/zinc/70/08/49/404700849.db2.gz CNAALHNYVHYSTH-UHFFFAOYSA-N 1 0 303.406 2.181 10 0 DEAERO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CCCCC3(C)C)CC2)C1 ZINC000366059253 404749444 /nfs/dbraw/zinc/74/94/44/404749444.db2.gz WLQLFTYSUNOTRZ-DLBZAZTESA-N 1 0 321.509 2.441 10 0 DEAERO CC(C)[C@@H](O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000375841347 404758248 /nfs/dbraw/zinc/75/82/48/404758248.db2.gz RSDLYCPZJAWQOU-BPLDGKMQSA-N 1 0 310.463 2.264 10 0 DEAERO CC[C@H](CN[C@@H](C(=O)OC)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000358810128 404776880 /nfs/dbraw/zinc/77/68/80/404776880.db2.gz JLAYXYJAGGEVQD-QZTJIDSGSA-N 1 0 316.445 2.365 10 0 DEAERO FCCn1ncnc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000366942314 404876372 /nfs/dbraw/zinc/87/63/72/404876372.db2.gz YVYOXBIOQWPXKQ-INIZCTEOSA-N 1 0 323.460 2.336 10 0 DEAERO OCC[C@H]1CSCC[N@@H+]1CCCc1ccc2c(c1)CCO2 ZINC000360967564 404864057 /nfs/dbraw/zinc/86/40/57/404864057.db2.gz AVELLFBOHUXMIE-INIZCTEOSA-N 1 0 307.459 2.354 10 0 DEAERO c1cc(N2CCCC2)ncc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000378421431 404959959 /nfs/dbraw/zinc/95/99/59/404959959.db2.gz IYYXCRYIQMARSU-FUHWJXTLSA-N 1 0 317.433 2.110 10 0 DEAERO COC(=O)[C@@H]1CCCN(c2cc(N3CCC[C@@H](C)C3)ncn2)C1 ZINC000361182048 404961765 /nfs/dbraw/zinc/96/17/65/404961765.db2.gz VBRFNTFORFWQNV-ZIAGYGMSSA-N 1 0 318.421 2.102 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cnn2ccccc12 ZINC000378373566 404946263 /nfs/dbraw/zinc/94/62/63/404946263.db2.gz TZVFHFNUIOITCF-NXHRZFHOSA-N 1 0 314.433 2.018 10 0 DEAERO C[C@H](CCNC[C@H](O)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000379647579 405027919 /nfs/dbraw/zinc/02/79/19/405027919.db2.gz KQYNTJJDIKIYNK-OCCSQVGLSA-N 1 0 304.356 2.410 10 0 DEAERO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000361270246 405001127 /nfs/dbraw/zinc/00/11/27/405001127.db2.gz DKYKNLUIOMORJR-QKVFXAPYSA-N 1 0 311.447 2.499 10 0 DEAERO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)COCc1ccccc1 ZINC000390223346 405045079 /nfs/dbraw/zinc/04/50/79/405045079.db2.gz ZZSIQANYONHWOS-WBVHZDCISA-N 1 0 304.434 2.345 10 0 DEAERO O=C(CCc1cncc2ccccc21)NCCNc1cc[nH+]cc1 ZINC000361375514 405045165 /nfs/dbraw/zinc/04/51/65/405045165.db2.gz JINFZVSTFIHLET-UHFFFAOYSA-N 1 0 320.396 2.213 10 0 DEAERO c1c(Cn2cc([C@H]3CCC[NH2+]C3)nn2)onc1-c1ccccc1 ZINC000404987126 405069715 /nfs/dbraw/zinc/06/97/15/405069715.db2.gz IQWYTFWPPJUSLC-AWEZNQCLSA-N 1 0 309.373 2.448 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000361543070 405123230 /nfs/dbraw/zinc/12/32/30/405123230.db2.gz KBECMPNFRHWDCT-HOTGVXAUSA-N 1 0 318.465 2.076 10 0 DEAERO Cc1cc(N2CC[C@@H]([NH2+][C@H]3[C@H](C)CCC[C@@H]3C)C2=O)n(C)n1 ZINC000408196037 405135140 /nfs/dbraw/zinc/13/51/40/405135140.db2.gz ABEBYBGEUREXKO-FIRUKDTASA-N 1 0 304.438 2.248 10 0 DEAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000408349808 405182123 /nfs/dbraw/zinc/18/21/23/405182123.db2.gz MGWLEERIUKDGBR-XUWVNRHRSA-N 1 0 314.495 2.405 10 0 DEAERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)[C@](C)(O)C(C)C)C1)CCCC2 ZINC000408387055 405193501 /nfs/dbraw/zinc/19/35/01/405193501.db2.gz VYCZOLKXXLFCNC-RDTXWAMCSA-N 1 0 319.449 2.251 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)[C@@H](C)CN1C ZINC000408410003 405198725 /nfs/dbraw/zinc/19/87/25/405198725.db2.gz HUHLBXHZSWZGGL-NEPJUHHUSA-N 1 0 318.417 2.270 10 0 DEAERO C[C@@H]1CCC[C@@H](NC(=O)N2CCC([N@H+](C)CCO)CC2)CC1 ZINC000408434144 405205464 /nfs/dbraw/zinc/20/54/64/405205464.db2.gz FNTBGGWNABTJBO-HUUCEWRRSA-N 1 0 311.470 2.053 10 0 DEAERO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425415015 405286947 /nfs/dbraw/zinc/28/69/47/405286947.db2.gz DVIVKHKFTQEZKE-QGZVFWFLSA-N 1 0 324.428 2.444 10 0 DEAERO C[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)CS(C)(=O)=O ZINC000368269121 405233718 /nfs/dbraw/zinc/23/37/18/405233718.db2.gz FDWBLXGISSKIAZ-FPCVCCKLSA-N 1 0 317.495 2.073 10 0 DEAERO COCCn1cc(C[NH2+]C[C@H]2Oc3ccccc3[C@H]2C)cn1 ZINC000368283469 405234353 /nfs/dbraw/zinc/23/43/53/405234353.db2.gz BJBVSIVRPOVEKU-CXAGYDPISA-N 1 0 301.390 2.184 10 0 DEAERO CCC(CC)(C[NH2+][C@H](C)C1(OC)CCOCC1)C(=O)OC ZINC000453206311 405288918 /nfs/dbraw/zinc/28/89/18/405288918.db2.gz YHEWVPMDYXVNGL-CYBMUJFWSA-N 1 0 301.427 2.140 10 0 DEAERO COc1ccc2c(c1)CN(C(=O)CC1CC[NH+](C)CC1)CCO2 ZINC000456152736 405519890 /nfs/dbraw/zinc/51/98/90/405519890.db2.gz IGFXLWYAIMHRJZ-UHFFFAOYSA-N 1 0 318.417 2.148 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2cccc3cc[nH]c32)CC12COC2 ZINC000449363187 405525556 /nfs/dbraw/zinc/52/55/56/405525556.db2.gz LOZLOMUEONOSFH-OAHLLOKOSA-N 1 0 314.385 2.179 10 0 DEAERO CC(=O)N1CCC(C[NH2+]Cc2nc3ccccc3nc2C)CC1 ZINC000638529063 405528055 /nfs/dbraw/zinc/52/80/55/405528055.db2.gz YGJVOHMAZRNIGC-UHFFFAOYSA-N 1 0 312.417 2.286 10 0 DEAERO O=C(N1CC[C@H]2CC[C@@H](C1)S2)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638535795 405532809 /nfs/dbraw/zinc/53/28/09/405532809.db2.gz GEWDGWUFHKPQJA-SCVCMEIPSA-N 1 0 308.369 2.025 10 0 DEAERO O=C(N1CC[C@H]2CC[C@@H](C1)S2)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638535794 405533350 /nfs/dbraw/zinc/53/33/50/405533350.db2.gz GEWDGWUFHKPQJA-JFGNBEQYSA-N 1 0 308.369 2.025 10 0 DEAERO CO[C@@H]1C[C@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)C12CCC2 ZINC000458675349 405536460 /nfs/dbraw/zinc/53/64/60/405536460.db2.gz XHMOBMTUSNUFAT-JKSUJKDBSA-N 1 0 321.465 2.237 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000449396890 405545528 /nfs/dbraw/zinc/54/55/28/405545528.db2.gz NCRUBDVLKZLPQC-DOTOQJQBSA-N 1 0 306.450 2.063 10 0 DEAERO Cc1nc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)sc1Br ZINC000449404365 405548704 /nfs/dbraw/zinc/54/87/04/405548704.db2.gz ZHSOQNLHTXUTJU-IONNQARKSA-N 1 0 304.257 2.254 10 0 DEAERO COc1nsc(C[NH2+][C@H](C)[C@H](C)CO)c1Br ZINC000638675922 405610229 /nfs/dbraw/zinc/61/02/29/405610229.db2.gz BZAGMDGLHVCXPX-RNFRBKRXSA-N 1 0 309.229 2.021 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H]2CCC[C@H]2O)c1Br ZINC000638713214 405630805 /nfs/dbraw/zinc/63/08/05/405630805.db2.gz WLCUZRIIUIDYMJ-JGVFFNPUSA-N 1 0 321.240 2.165 10 0 DEAERO COc1nsc(C[NH2+][C@H](C)CCCO)c1Br ZINC000638765013 405656229 /nfs/dbraw/zinc/65/62/29/405656229.db2.gz HXYDZNKZGOWYRU-SSDOTTSWSA-N 1 0 309.229 2.165 10 0 DEAERO COc1cc(C2(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)ccc1C ZINC000449714552 405706582 /nfs/dbraw/zinc/70/65/82/405706582.db2.gz HCUSUYLZIXWNFL-HIFRSBDPSA-N 1 0 302.418 2.279 10 0 DEAERO CC[C@](C)(NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000638858134 405721016 /nfs/dbraw/zinc/72/10/16/405721016.db2.gz LQRUNFSHGNDQCV-WMZOPIPTSA-N 1 0 303.450 2.141 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c1 ZINC000636085889 405726621 /nfs/dbraw/zinc/72/66/21/405726621.db2.gz FPYJTKVRCNIHEW-CVEARBPZSA-N 1 0 318.417 2.113 10 0 DEAERO CC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c(F)c1 ZINC000636097883 405738286 /nfs/dbraw/zinc/73/82/86/405738286.db2.gz LZEJDRORUVURTR-CABCVRRESA-N 1 0 306.381 2.487 10 0 DEAERO Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000638888133 405742161 /nfs/dbraw/zinc/74/21/61/405742161.db2.gz MWRPIZRNCCYRKE-JQWIXIFHSA-N 1 0 311.223 2.424 10 0 DEAERO C[C@H]1CN(C(=O)c2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000638893308 405744873 /nfs/dbraw/zinc/74/48/73/405744873.db2.gz YLRVVGFSVAVBHV-DTWKUNHWSA-N 1 0 315.186 2.255 10 0 DEAERO C[C@@H]1CN(C(=O)c2csc(Br)c2)C[C@@H]1C[NH3+] ZINC000638894242 405746045 /nfs/dbraw/zinc/74/60/45/405746045.db2.gz UYZGKOXLFRHBDU-APPZFPTMSA-N 1 0 303.225 2.177 10 0 DEAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000408349809 286620367 /nfs/dbraw/zinc/62/03/67/286620367.db2.gz MGWLEERIUKDGBR-YHUYYLMFSA-N 1 0 314.495 2.405 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000457277205 405775698 /nfs/dbraw/zinc/77/56/98/405775698.db2.gz YEDQILPVGMUXCK-KSSFIOAISA-N 1 0 324.465 2.441 10 0 DEAERO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2CCn2ccnc2)cc1 ZINC000583619775 405775840 /nfs/dbraw/zinc/77/58/40/405775840.db2.gz FYJNYSVVNRAWRH-ROUUACIJSA-N 1 0 315.417 2.264 10 0 DEAERO C[N@@H+]1CC[C@@H](C(=O)NCCc2ccccc2Br)C1 ZINC000560363617 405798410 /nfs/dbraw/zinc/79/84/10/405798410.db2.gz QKGINKJJFISVQW-GFCCVEGCSA-N 1 0 311.223 2.060 10 0 DEAERO C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)c1nnc2n1CCCC2 ZINC000530439933 405802642 /nfs/dbraw/zinc/80/26/42/405802642.db2.gz RSZFEGZXCXNGAN-RBSFLKMASA-N 1 0 304.438 2.299 10 0 DEAERO CC(=O)N1CC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)C(C)(C)C1 ZINC000638927387 405763546 /nfs/dbraw/zinc/76/35/46/405763546.db2.gz UEGSSMRKNYOPCG-QGZVFWFLSA-N 1 0 315.461 2.456 10 0 DEAERO O=C(CCC(F)(F)F)N(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000583614731 405775170 /nfs/dbraw/zinc/77/51/70/405775170.db2.gz VOHRQCUJKSWWHH-ZDUSSCGKSA-N 1 0 315.339 2.362 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000457552289 405894722 /nfs/dbraw/zinc/89/47/22/405894722.db2.gz HDBUXAUAZLAJNI-MRXNPFEDSA-N 1 0 320.433 2.488 10 0 DEAERO Cc1onc(-c2cccnc2)c1C(=O)N(C)CCC[NH+](C)C ZINC000560621767 405855255 /nfs/dbraw/zinc/85/52/55/405855255.db2.gz ILZXSSFQQGAJOH-UHFFFAOYSA-N 1 0 302.378 2.069 10 0 DEAERO COCCOC[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000450460031 405908937 /nfs/dbraw/zinc/90/89/37/405908937.db2.gz ZAUPXVYFJKJQTN-IMJJTQAJSA-N 1 0 311.422 2.385 10 0 DEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000423689279 405910861 /nfs/dbraw/zinc/91/08/61/405910861.db2.gz XNHGDRMMESYQBL-GXFFZTMASA-N 1 0 323.234 2.429 10 0 DEAERO C[NH+](C)CCCCC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000561321401 405919795 /nfs/dbraw/zinc/91/97/95/405919795.db2.gz YCWOBLNRJYHPBB-UHFFFAOYSA-N 1 0 314.433 2.280 10 0 DEAERO OCCC1([NH2+]Cc2cnc(N3CCCC3)nc2)CCCCC1 ZINC000531191338 405923251 /nfs/dbraw/zinc/92/32/51/405923251.db2.gz DJHYHOPWCYFCDT-UHFFFAOYSA-N 1 0 304.438 2.252 10 0 DEAERO COc1cc(CC(=O)N2CCC(C)([NH+]3CCCC3)CC2)ccn1 ZINC000633945219 405924441 /nfs/dbraw/zinc/92/44/41/405924441.db2.gz DHCVJGJDIQTSBO-UHFFFAOYSA-N 1 0 317.433 2.110 10 0 DEAERO C[C@@H](O)CC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000450927177 405988086 /nfs/dbraw/zinc/98/80/86/405988086.db2.gz BFVLBUYVGFLJBE-GFCCVEGCSA-N 1 0 313.239 2.342 10 0 DEAERO CCCCCOC1CN(C(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000460235411 406080214 /nfs/dbraw/zinc/08/02/14/406080214.db2.gz YBRGYILDYRDMTP-UHFFFAOYSA-N 1 0 309.454 2.239 10 0 DEAERO Cc1nn(C)cc1CC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000460021350 406074092 /nfs/dbraw/zinc/07/40/92/406074092.db2.gz JRQBYTBXGZKGND-KRWDZBQOSA-N 1 0 324.428 2.282 10 0 DEAERO c1cc(C[NH2+]CCC[C@@H]2CCO2)cc(N2CCSCC2)n1 ZINC000639388248 406076635 /nfs/dbraw/zinc/07/66/35/406076635.db2.gz ZTRYQTBFDPIDEY-OAHLLOKOSA-N 1 0 307.463 2.294 10 0 DEAERO c1nc2n(n1)[C@@H](C[NH+]1CCC(N3CCc4ccccc43)CC1)CC2 ZINC000639626598 406176471 /nfs/dbraw/zinc/17/64/71/406176471.db2.gz UJEALFPMJYLVBX-QGZVFWFLSA-N 1 0 323.444 2.293 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2COc3cc(OC)ccc32)C1 ZINC000534818460 406195792 /nfs/dbraw/zinc/19/57/92/406195792.db2.gz XIHZBJLKHPJRGN-KBPBESRZSA-N 1 0 318.417 2.019 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000487322186 406223900 /nfs/dbraw/zinc/22/39/00/406223900.db2.gz PWVCPHWMUZFHCY-IRUJWGPZSA-N 1 0 314.227 2.230 10 0 DEAERO CC(C)[C@@H](O)C1(C[NH2+]Cc2c(Br)cnn2C)CC1 ZINC000487572782 406247410 /nfs/dbraw/zinc/24/74/10/406247410.db2.gz MFELCFCVRGACOV-GFCCVEGCSA-N 1 0 316.243 2.069 10 0 DEAERO OC[C@H]1C[C@@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000634725224 406248848 /nfs/dbraw/zinc/24/88/48/406248848.db2.gz LGVCHPPZAKDAHY-AXFHLTTASA-N 1 0 320.216 2.094 10 0 DEAERO O=C(Nc1cnn(Cc2ccccc2)c1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634744562 406261320 /nfs/dbraw/zinc/26/13/20/406261320.db2.gz CHYFMZVWYLNCRA-YJBOKZPZSA-N 1 0 310.401 2.260 10 0 DEAERO CC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000632808123 406271317 /nfs/dbraw/zinc/27/13/17/406271317.db2.gz ZDXDMRCVYVKZOY-KRWDZBQOSA-N 1 0 324.384 2.197 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000632917789 406318806 /nfs/dbraw/zinc/31/88/06/406318806.db2.gz AJCWJCLWPNXYKC-CQSZACIVSA-N 1 0 318.421 2.405 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000545858607 406329660 /nfs/dbraw/zinc/32/96/60/406329660.db2.gz HBFKWUZFMRCJLC-HZPDHXFCSA-N 1 0 309.454 2.141 10 0 DEAERO C[C@H]1[C@H](CO)CC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000488713386 406340334 /nfs/dbraw/zinc/34/03/34/406340334.db2.gz CRTPFXLSNNXNSH-ZFWWWQNUSA-N 1 0 301.390 2.372 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H](CO)[C@H]2C)cc1C ZINC000488732265 406342263 /nfs/dbraw/zinc/34/22/63/406342263.db2.gz MMKDVOFCYDKEKD-ZMSDIMECSA-N 1 0 304.434 2.183 10 0 DEAERO CCC[C@H](NC(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C)c1ccccc1 ZINC000488812603 406351302 /nfs/dbraw/zinc/35/13/02/406351302.db2.gz ZUVHKTHBKHPOQX-PVAVHDDUSA-N 1 0 304.434 2.347 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000634985240 406386227 /nfs/dbraw/zinc/38/62/27/406386227.db2.gz ODPPRELOMOSHHO-ZIAGYGMSSA-N 1 0 301.452 2.035 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cncc(Br)c1 ZINC000569121952 292392273 /nfs/dbraw/zinc/39/22/73/292392273.db2.gz OLFPHGBGPUSXNG-JOYOIKCWSA-N 1 0 312.211 2.116 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000637911162 406473800 /nfs/dbraw/zinc/47/38/00/406473800.db2.gz YFWLJJQCMMNAQM-GBESFXJTSA-N 1 0 323.440 2.118 10 0 DEAERO CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000525315242 406485212 /nfs/dbraw/zinc/48/52/12/406485212.db2.gz PPHJPTFJARVPKF-HALDLXJZSA-N 1 0 314.433 2.208 10 0 DEAERO C=Cc1ccc(CCNC(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000570869720 406449629 /nfs/dbraw/zinc/44/96/29/406449629.db2.gz FDHTWDYFOWETBQ-OAHLLOKOSA-N 1 0 310.401 2.452 10 0 DEAERO CC(=O)N1CCC[N@H+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000637881142 406460171 /nfs/dbraw/zinc/46/01/71/406460171.db2.gz HMNDJHKNKDPYFG-QGZVFWFLSA-N 1 0 301.434 2.067 10 0 DEAERO C[C@@H](N(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1(C)CC1 ZINC000638042279 406539734 /nfs/dbraw/zinc/53/97/34/406539734.db2.gz QFBXULHXCZBLAX-GDBMZVCRSA-N 1 0 303.450 2.093 10 0 DEAERO CCc1cnc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)s1 ZINC000548992070 406571044 /nfs/dbraw/zinc/57/10/44/406571044.db2.gz UKLSCIPZZYNPLK-WFASDCNBSA-N 1 0 310.463 2.363 10 0 DEAERO COC1(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CCCCC1 ZINC000548989853 406571249 /nfs/dbraw/zinc/57/12/49/406571249.db2.gz QYWMFKBLDYVNGX-HZPDHXFCSA-N 1 0 311.466 2.493 10 0 DEAERO O=C(CCC1C[NH2+]C1)NCc1ccsc1Br ZINC000638283343 406670055 /nfs/dbraw/zinc/67/00/55/406670055.db2.gz XHZSRTNMWYSABI-UHFFFAOYSA-N 1 0 303.225 2.126 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CCc2ccccc21 ZINC000638416969 406760474 /nfs/dbraw/zinc/76/04/74/406760474.db2.gz WANZJLRXNPNICM-RTBURBONSA-N 1 0 323.440 2.249 10 0 DEAERO OCCN1CCC[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527655607 406706075 /nfs/dbraw/zinc/70/60/75/406706075.db2.gz KKXPVPGTYQYQFI-LLVKDONJSA-N 1 0 308.369 2.313 10 0 DEAERO c1cnc(N2CCOCC2)c(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000638350259 406716812 /nfs/dbraw/zinc/71/68/12/406716812.db2.gz FFLANLNKETYZTC-HLLBOEOZSA-N 1 0 301.434 2.444 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@H](C)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000638363800 406725632 /nfs/dbraw/zinc/72/56/32/406725632.db2.gz YPNOXAUSLKYZEI-SJLPKXTDSA-N 1 0 307.482 2.265 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@@H](C)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000638363799 406726559 /nfs/dbraw/zinc/72/65/59/406726559.db2.gz YPNOXAUSLKYZEI-FUHWJXTLSA-N 1 0 307.482 2.265 10 0 DEAERO [NH3+]C1(CC(=O)N[C@H]2CC23CC3)CCN(Cc2ccccc2)CC1 ZINC000638366360 406727384 /nfs/dbraw/zinc/72/73/84/406727384.db2.gz HLEJCCVBPRACLJ-INIZCTEOSA-N 1 0 313.445 2.039 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1CCCC(F)(F)C1 ZINC000554605556 406816930 /nfs/dbraw/zinc/81/69/30/406816930.db2.gz UCHPDUNNKWKWHR-GFCCVEGCSA-N 1 0 312.364 2.040 10 0 DEAERO Cc1cc(F)cc2c1C[N@H+](C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000554563415 406812222 /nfs/dbraw/zinc/81/22/22/406812222.db2.gz ODQKHFNWWHVHQI-IAGOWNOFSA-N 1 0 323.408 2.049 10 0 DEAERO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329023784 286801165 /nfs/dbraw/zinc/80/11/65/286801165.db2.gz NCFINTXSUOQYAG-DXCKQFNASA-N 1 0 304.438 2.250 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1nnc2n1CCCCC2 ZINC000262994399 286990601 /nfs/dbraw/zinc/99/06/01/286990601.db2.gz ODBJTSHWEHRKOZ-IGCXYCKISA-N 1 0 319.453 2.089 10 0 DEAERO [NH3+]CCc1cnc(Sc2ncccc2Br)nc1 ZINC000129037782 196014070 /nfs/dbraw/zinc/01/40/70/196014070.db2.gz IWHZBFUZZCTMDL-UHFFFAOYSA-N 1 0 311.208 2.287 10 0 DEAERO C[C@@H]([NH3+])Cc1cnc(Sc2ccc3c(c2)OCCO3)nc1 ZINC000129051595 196015210 /nfs/dbraw/zinc/01/52/10/196015210.db2.gz IBFLWKUIGMIZSS-SNVBAGLBSA-N 1 0 303.387 2.289 10 0 DEAERO C[C@@H](C[NH2+]C1CC1)[C@@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129127679 196022137 /nfs/dbraw/zinc/02/21/37/196022137.db2.gz IDPPFNMAOBFTCU-IHRRRGAJSA-N 1 0 302.484 2.072 10 0 DEAERO Cc1nc(COc2ccc(Br)c(CC[NH3+])c2)no1 ZINC000129218294 196030403 /nfs/dbraw/zinc/03/04/03/196030403.db2.gz XPKBUORTFSSOJN-UHFFFAOYSA-N 1 0 312.167 2.221 10 0 DEAERO CSc1nc(Cl)cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000129524276 196055253 /nfs/dbraw/zinc/05/52/53/196055253.db2.gz WDHUYEOJSCDXCH-NXEZZACHSA-N 1 0 314.842 2.127 10 0 DEAERO COCCC[NH2+]CCOc1ccc(OC)cc1Br ZINC000129643883 196065388 /nfs/dbraw/zinc/06/53/88/196065388.db2.gz JZOVEZLVACDQHM-UHFFFAOYSA-N 1 0 318.211 2.463 10 0 DEAERO COc1ccc(NC(=O)[C@H](C)CC[NH3+])cc1Br ZINC000130552032 196090489 /nfs/dbraw/zinc/09/04/89/196090489.db2.gz OOURURGRSXSYKU-MRVPVSSYSA-N 1 0 301.184 2.381 10 0 DEAERO COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000130602620 196094333 /nfs/dbraw/zinc/09/43/33/196094333.db2.gz YZYREVJJBJGWAO-GDBMZVCRSA-N 1 0 301.390 2.129 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(c2cc(OC)ccc2C(N)=S)C1 ZINC000130630453 196096998 /nfs/dbraw/zinc/09/69/98/196096998.db2.gz OENXYGJUPJTVNG-LBPRGKRZSA-N 1 0 307.463 2.250 10 0 DEAERO COc1ccc(C(N)=S)c(N(C)CC2CC[NH+](C)CC2)c1 ZINC000130631392 196097117 /nfs/dbraw/zinc/09/71/17/196097117.db2.gz UALXUXOLOYVSHM-UHFFFAOYSA-N 1 0 307.463 2.107 10 0 DEAERO Cc1c(N)cnc(N2C[C@@H](C)N(C)[C@@H](C)C2)c1Br ZINC000130737169 196105642 /nfs/dbraw/zinc/10/56/42/196105642.db2.gz TXBIMJLOJWKYHK-DTORHVGOSA-N 1 0 313.243 2.264 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)c1cc(OC)cc(OC)c1 ZINC000131123566 196141961 /nfs/dbraw/zinc/14/19/61/196141961.db2.gz COQREVUZMHYQNF-HNNXBMFYSA-N 1 0 315.435 2.179 10 0 DEAERO O=S1(=O)CCC[C@@H](NC2=[NH+]CC3(CCCCC3)CS2)C1 ZINC000131154101 196144314 /nfs/dbraw/zinc/14/43/14/196144314.db2.gz UJYZNDUMEDOAQL-GFCCVEGCSA-N 1 0 316.492 2.207 10 0 DEAERO O=C(C[C@H]1COCC[NH2+]1)c1cc(Br)ccc1F ZINC000131403302 196165686 /nfs/dbraw/zinc/16/56/86/196165686.db2.gz MWNPJAPFMBGQJW-VIFPVBQESA-N 1 0 302.143 2.149 10 0 DEAERO Cc1nn(C)c(C[C@H]([NH3+])c2ncccc2F)c1Br ZINC000131315869 196160361 /nfs/dbraw/zinc/16/03/61/196160361.db2.gz RCYIBPQWLQLPGV-VIFPVBQESA-N 1 0 313.174 2.268 10 0 DEAERO C[NH2+]Cc1cccc(CS(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)c1 ZINC000131780574 196198290 /nfs/dbraw/zinc/19/82/90/196198290.db2.gz CRRYBMFXUNOKKC-KBPBESRZSA-N 1 0 310.463 2.214 10 0 DEAERO CCN(CCC[NH2+]Cc1cccc(C(F)F)c1)S(C)(=O)=O ZINC000131828539 196203144 /nfs/dbraw/zinc/20/31/44/196203144.db2.gz PEVGVNYETAOPAY-UHFFFAOYSA-N 1 0 320.405 2.385 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2CCC([NH3+])CC2)c1 ZINC000131850337 196203407 /nfs/dbraw/zinc/20/34/07/196203407.db2.gz WYKNIVMJLMVUCO-JIFUTNICSA-N 1 0 315.417 2.281 10 0 DEAERO CCOC(=O)[C@@H](NCC[NH+](C)C)c1cccc(C(F)F)c1 ZINC000131965266 196214150 /nfs/dbraw/zinc/21/41/50/196214150.db2.gz KOMSMRXRRCHOQK-ZDUSSCGKSA-N 1 0 300.349 2.380 10 0 DEAERO O=C(N[C@H]1CCC[C@@H](OCC(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000132327059 196246636 /nfs/dbraw/zinc/24/66/36/196246636.db2.gz CCWZKWOKQFNBOC-TUAOUCFPSA-N 1 0 308.344 2.135 10 0 DEAERO COc1cc(F)ccc1N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000132358975 196248941 /nfs/dbraw/zinc/24/89/41/196248941.db2.gz DMIKYNMRWCXBFP-UHFFFAOYSA-N 1 0 321.440 2.442 10 0 DEAERO C[C@@H]1CCN(c2nc(NN)[nH+]cc2Br)C[C@@H]1C ZINC000132224245 196236925 /nfs/dbraw/zinc/23/69/25/196236925.db2.gz LYTJNZCOLQSUNF-SFYZADRCSA-N 1 0 300.204 2.007 10 0 DEAERO CCOC(C)(C)[C@@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000132231411 196237047 /nfs/dbraw/zinc/23/70/47/196237047.db2.gz ZNCHFYACXSGTDP-JTQLQIEISA-N 1 0 304.232 2.176 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCOCC1 ZINC000132237063 196238004 /nfs/dbraw/zinc/23/80/04/196238004.db2.gz AAVBCNDGVAQYSV-UHFFFAOYSA-N 1 0 320.723 2.388 10 0 DEAERO CC[NH+](CC)C[C@H](C)NC(=O)c1sc2cccnc2c1N ZINC000132246297 196238964 /nfs/dbraw/zinc/23/89/64/196238964.db2.gz FCCHQYOGEZRAAH-JTQLQIEISA-N 1 0 306.435 2.339 10 0 DEAERO CN(C(=O)c1sc2cccnc2c1N)[C@H]1CCC[N@H+](C)C1 ZINC000132258059 196240319 /nfs/dbraw/zinc/24/03/19/196240319.db2.gz QFAPZZFVWNMLMO-JTQLQIEISA-N 1 0 304.419 2.045 10 0 DEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCN3CCCCC3)C2)n1 ZINC000132291715 196242436 /nfs/dbraw/zinc/24/24/36/196242436.db2.gz SQDOYOBGPHVQEB-KRWDZBQOSA-N 1 0 305.470 2.093 10 0 DEAERO CC[C@@](O)(c1c(Br)cnn1CC[NH+](C)C)C1CC1 ZINC000132461235 196257618 /nfs/dbraw/zinc/25/76/18/196257618.db2.gz CSJAKTXBLOYMPE-ZDUSSCGKSA-N 1 0 316.243 2.215 10 0 DEAERO CC[C@](O)(c1c(Br)cnn1CC[NH+](C)C)C1CC1 ZINC000132461406 196257921 /nfs/dbraw/zinc/25/79/21/196257921.db2.gz CSJAKTXBLOYMPE-CYBMUJFWSA-N 1 0 316.243 2.215 10 0 DEAERO Cc1cccc2c(NC[C@@H](O)C[NH+]3CCCCC3)ncnc12 ZINC000132617980 196271121 /nfs/dbraw/zinc/27/11/21/196271121.db2.gz JSHVJGUYODLBKI-CQSZACIVSA-N 1 0 300.406 2.197 10 0 DEAERO Cc1ccc([C@H](C[NH3+])N[C@H](C)CCO)c(Br)c1 ZINC000132684672 196276288 /nfs/dbraw/zinc/27/62/88/196276288.db2.gz QLAOUAJDTVLABQ-MFKMUULPSA-N 1 0 301.228 2.118 10 0 DEAERO CNc1ncc(Br)c(NCC[N@H+](C)C(C)C)n1 ZINC000132848196 196290222 /nfs/dbraw/zinc/29/02/22/196290222.db2.gz UVQPCXXAYKILQV-UHFFFAOYSA-N 1 0 302.220 2.033 10 0 DEAERO CCCn1ncc(Br)c1[C@@]1(O)CCC[C@H]([NH3+])C1 ZINC000132886851 196293066 /nfs/dbraw/zinc/29/30/66/196293066.db2.gz DPVVCSRVTRQBPK-JOYOIKCWSA-N 1 0 302.216 2.145 10 0 DEAERO COc1cc(C)cc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000133077577 196309748 /nfs/dbraw/zinc/30/97/48/196309748.db2.gz HYQCDHNLIWWHHT-MRXNPFEDSA-N 1 0 317.433 2.383 10 0 DEAERO CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1occc1C ZINC000133190539 196319518 /nfs/dbraw/zinc/31/95/18/196319518.db2.gz GANNZJBDVUVLLB-KGLIPLIRSA-N 1 0 314.451 2.300 10 0 DEAERO CCC[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2C)C1 ZINC000133300447 196328280 /nfs/dbraw/zinc/32/82/80/196328280.db2.gz LZOJXYOHXNASFZ-OAHLLOKOSA-N 1 0 310.463 2.456 10 0 DEAERO CC(=O)NC1CCN([C@@H](c2ccc(Cl)cc2)[C@@H](C)[NH3+])CC1 ZINC000133750823 196333806 /nfs/dbraw/zinc/33/38/06/196333806.db2.gz BATFFQORAXMLDB-BDJLRTHQSA-N 1 0 309.841 2.329 10 0 DEAERO [NH3+]Cc1nnc(Cc2cccc(Br)c2)n1C1CC1 ZINC000133862908 196341055 /nfs/dbraw/zinc/34/10/55/196341055.db2.gz WGTUCJNFCNYOJN-UHFFFAOYSA-N 1 0 307.195 2.425 10 0 DEAERO COCc1nnc2sc(CC[C@@H](CC[NH3+])C(C)(C)C)nn12 ZINC000133889674 196343567 /nfs/dbraw/zinc/34/35/67/196343567.db2.gz UYRZRVYQDHFZMX-JTQLQIEISA-N 1 0 311.455 2.276 10 0 DEAERO CCn1c(C[NH3+])nnc1-c1c(F)cc(Br)cc1F ZINC000133919944 196346044 /nfs/dbraw/zinc/34/60/44/196346044.db2.gz KWRFMXQUYHUASW-UHFFFAOYSA-N 1 0 317.137 2.464 10 0 DEAERO CC[NH2+][C@H](c1c(Br)cnn1C)[C@H]1CO[C@@H](C)C1 ZINC000133932009 196347267 /nfs/dbraw/zinc/34/72/67/196347267.db2.gz IQJCTRKFAFZZEW-NGZCFLSTSA-N 1 0 302.216 2.258 10 0 DEAERO COCCn1ncc(Cl)c1[C@@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000134061668 196358495 /nfs/dbraw/zinc/35/84/95/196358495.db2.gz RXBLOAFECIRHMC-ZDUSSCGKSA-N 1 0 313.760 2.379 10 0 DEAERO COc1ccc(C(C)(C)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1OC ZINC000134265828 196375159 /nfs/dbraw/zinc/37/51/59/196375159.db2.gz WDVCGGISIUBHDJ-AWEZNQCLSA-N 1 0 320.433 2.144 10 0 DEAERO CCc1nn(C)c(C[C@H](C[C@H](C)OC)[NH2+]C)c1Br ZINC000134466044 196393795 /nfs/dbraw/zinc/39/37/95/196393795.db2.gz SWVQFBNPYFIOJM-UWVGGRQHSA-N 1 0 318.259 2.301 10 0 DEAERO Cc1cccc(S(=O)(=O)N[C@@](C)(C[NH3+])c2ccccc2)c1 ZINC000134474296 196395168 /nfs/dbraw/zinc/39/51/68/196395168.db2.gz AZJQMTGMOQENND-INIZCTEOSA-N 1 0 304.415 2.147 10 0 DEAERO COC(=O)c1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(F)c1 ZINC000135535444 196483980 /nfs/dbraw/zinc/48/39/80/196483980.db2.gz LICAFZNXKFTSLJ-SWLSCSKDSA-N 1 0 306.381 2.281 10 0 DEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000136431386 196536011 /nfs/dbraw/zinc/53/60/11/196536011.db2.gz RLNDMFHXQVRTGF-ZDUSSCGKSA-N 1 0 300.349 2.320 10 0 DEAERO C[C@@H](Oc1cccc(Cl)c1)[C@@H]([NH3+])CCCS(C)(=O)=O ZINC000137332124 196572859 /nfs/dbraw/zinc/57/28/59/196572859.db2.gz ODPZZBXILVAUBS-MFKMUULPSA-N 1 0 305.827 2.259 10 0 DEAERO OC1(COc2ccc(F)c(Br)c2)CC[NH2+]CC1 ZINC000137598159 196577610 /nfs/dbraw/zinc/57/76/10/196577610.db2.gz BQTFQJGLOMEDBW-UHFFFAOYSA-N 1 0 304.159 2.082 10 0 DEAERO CC[C@H](C(=O)N1CC2(CCOCC2)c2ccccc21)[NH+](C)C ZINC000189789188 287455553 /nfs/dbraw/zinc/45/55/53/287455553.db2.gz KXWUMYJMWJHZEM-OAHLLOKOSA-N 1 0 302.418 2.422 10 0 DEAERO c1ccc(OC2CCC2)c(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422915784 230274818 /nfs/dbraw/zinc/27/48/18/230274818.db2.gz YZNPRTDMNJKRAX-RBUKOAKNSA-N 1 0 316.445 2.475 10 0 DEAERO Cc1nnc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc1C ZINC000359574188 424830890 /nfs/dbraw/zinc/83/08/90/424830890.db2.gz HHUULAZFYUSIDE-DZGCQCFKSA-N 1 0 317.462 3.045 10 0 DEAERO COC[C@@H](C)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000037847519 424808316 /nfs/dbraw/zinc/80/83/16/424808316.db2.gz DGXFVRJDZXZCDY-ZJUUUORDSA-N 1 0 308.205 2.358 10 0 DEAERO Cc1c(Cl)cccc1NC(=O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118872 424841879 /nfs/dbraw/zinc/84/18/79/424841879.db2.gz STXFZRIMRKDRPH-UHFFFAOYSA-N 1 0 307.785 2.072 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2C)c1 ZINC000105881398 424849490 /nfs/dbraw/zinc/84/94/90/424849490.db2.gz HUKVTTQPZKIBLQ-OAHLLOKOSA-N 1 0 300.406 2.425 10 0 DEAERO C[NH+](C)C1CCN(C(=O)Nc2cccc3c2OCCO3)CC1 ZINC000193564894 424869243 /nfs/dbraw/zinc/86/92/43/424869243.db2.gz BBRYJPMIMIQSJM-UHFFFAOYSA-N 1 0 305.378 2.016 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]C2COCCOC2)CCN1Cc1ccccc1 ZINC000379635992 424908118 /nfs/dbraw/zinc/90/81/18/424908118.db2.gz WRIHBCITSSMXNP-WBVHZDCISA-N 1 0 304.434 2.045 10 0 DEAERO Brc1ccsc1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404248877 424925951 /nfs/dbraw/zinc/92/59/51/424925951.db2.gz IAAQEXKYBAOGIW-WDEREUQCSA-N 1 0 317.252 2.073 10 0 DEAERO [NH3+]CC1(CCNC(=O)Cc2ccc(Br)cc2)CC1 ZINC000404674492 424928168 /nfs/dbraw/zinc/92/81/68/424928168.db2.gz DUHKWUCZYIQITC-UHFFFAOYSA-N 1 0 311.223 2.237 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2nscc2Br)C1 ZINC000404758182 424928808 /nfs/dbraw/zinc/92/88/08/424928808.db2.gz AXGWBVNZHCCPGK-SFYZADRCSA-N 1 0 318.240 2.105 10 0 DEAERO CC[C@H]1CN(C(=O)c2nscc2Br)CC[C@H]1[NH3+] ZINC000404804754 424929535 /nfs/dbraw/zinc/92/95/35/424929535.db2.gz XDZRCGIDNAVIMY-IONNQARKSA-N 1 0 318.240 2.105 10 0 DEAERO C[C@@H](CCCC[NH3+])NC(=O)c1nscc1Br ZINC000404798970 424929723 /nfs/dbraw/zinc/92/97/23/424929723.db2.gz JFTMZMWFPUORAS-ZETCQYMHSA-N 1 0 306.229 2.153 10 0 DEAERO CC(C)n1ncnc1CN[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309806256 424894336 /nfs/dbraw/zinc/89/43/36/424894336.db2.gz LHHUNRFDXDKGOH-OAHLLOKOSA-N 1 0 301.438 2.469 10 0 DEAERO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[NH2+]CC1 ZINC000041546734 267366728 /nfs/dbraw/zinc/36/67/28/267366728.db2.gz KHQYYXRHIKCLBJ-LLVKDONJSA-N 1 0 311.223 2.060 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(C)cc2)[C@H](C)C1 ZINC000081096850 267378855 /nfs/dbraw/zinc/37/88/55/267378855.db2.gz AODWAGPORBKMMD-SJLPKXTDSA-N 1 0 317.477 2.273 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)CC1=O ZINC000657697635 425387349 /nfs/dbraw/zinc/38/73/49/425387349.db2.gz QREAYTYMTGZBAI-SNVBAGLBSA-N 1 0 315.186 2.156 10 0 DEAERO OCC1CC([NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000657811159 425403963 /nfs/dbraw/zinc/40/39/63/425403963.db2.gz RYGCEXLHSSMFAF-UHFFFAOYSA-N 1 0 312.207 2.245 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)CSC)cc2)CC1 ZINC000173830283 267484585 /nfs/dbraw/zinc/48/45/85/267484585.db2.gz XVSSYLSRJMABQX-AWEZNQCLSA-N 1 0 321.490 2.310 10 0 DEAERO CN(C(=O)Cc1c(F)cccc1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000662975068 425768579 /nfs/dbraw/zinc/76/85/79/425768579.db2.gz FHUJTDSWUAJUPP-SNVBAGLBSA-N 1 0 312.694 2.370 10 0 DEAERO CN(C(=O)COc1cccc(Cl)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662979134 425770685 /nfs/dbraw/zinc/77/06/85/425770685.db2.gz SUUVZHXAOLMNPS-JTQLQIEISA-N 1 0 310.703 2.067 10 0 DEAERO [NH3+]CC1(C(=O)NCc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000662872419 425753147 /nfs/dbraw/zinc/75/31/47/425753147.db2.gz FJZDFWWIKYMOEL-UHFFFAOYSA-N 1 0 317.216 2.365 10 0 DEAERO CN(C)c1cccc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000333081318 268882278 /nfs/dbraw/zinc/88/22/78/268882278.db2.gz ATNMPQVJRVQTFA-UHFFFAOYSA-N 1 0 317.437 2.145 10 0 DEAERO C[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000333185615 268899554 /nfs/dbraw/zinc/89/95/54/268899554.db2.gz SVNWERHKXMBRKT-OAGGEKHMSA-N 1 0 304.438 2.357 10 0 DEAERO C[C@H]1CCCC[C@H]1OCCNC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333225719 268908819 /nfs/dbraw/zinc/90/88/19/268908819.db2.gz AXCNCKYHPXLQQN-LSDHHAIUSA-N 1 0 309.454 2.119 10 0 DEAERO [NH3+][C@@H]1CCc2ncc(NC(=O)N3Cc4ccccc4CO3)cc2C1 ZINC000333289373 268919706 /nfs/dbraw/zinc/91/97/06/268919706.db2.gz JAYGDRZERFJMBF-OAHLLOKOSA-N 1 0 324.384 2.377 10 0 DEAERO O=C(Nc1ccc(C2CCC2)cn1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333309116 268923764 /nfs/dbraw/zinc/92/37/64/268923764.db2.gz LIKHLVZEJMVZGW-HUUCEWRRSA-N 1 0 300.406 2.422 10 0 DEAERO CCc1nc([C@@H](C)NC(=O)N2CCC3(CC[NH2+]3)CC2)cs1 ZINC000333321623 268926124 /nfs/dbraw/zinc/92/61/24/268926124.db2.gz UPABXQICSFFFIP-LLVKDONJSA-N 1 0 308.451 2.304 10 0 DEAERO c1ccc(-c2nnc(N3CCC[C@@]4(CC[NH2+]C4)C3)s2)nc1 ZINC000333484864 268954659 /nfs/dbraw/zinc/95/46/59/268954659.db2.gz GAUIPHOXNKCZHW-HNNXBMFYSA-N 1 0 301.419 2.180 10 0 DEAERO C[C@@H](NC(=O)N1CCC2(CC[NH2+]C2)CC1)c1c(F)cncc1F ZINC000333623422 268964558 /nfs/dbraw/zinc/96/45/58/268964558.db2.gz RXPLUNSEYARGHT-LLVKDONJSA-N 1 0 324.375 2.206 10 0 DEAERO CCCN(C(=O)N[C@@H]1CCCC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000333710370 268981338 /nfs/dbraw/zinc/98/13/38/268981338.db2.gz SGCOBPHRRUGQKU-QXSJWSMHSA-N 1 0 323.481 2.364 10 0 DEAERO Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333774996 268990700 /nfs/dbraw/zinc/99/07/00/268990700.db2.gz CRWVCVZIENYXRP-UHFFFAOYSA-N 1 0 322.412 2.420 10 0 DEAERO CC(C)[C@@H]1N(C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@@]12CCCO2 ZINC000333891055 269000626 /nfs/dbraw/zinc/00/06/26/269000626.db2.gz YFVNGHBEIKEDFC-VYDXJSESSA-N 1 0 309.454 2.103 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)[C@@H]2CC2(C)C)CC1 ZINC000397582989 269106876 /nfs/dbraw/zinc/10/68/76/269106876.db2.gz HXMXPFWIKMWFDR-OCCSQVGLSA-N 1 0 302.484 2.215 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Br)nc1 ZINC000174228615 273641684 /nfs/dbraw/zinc/64/16/84/273641684.db2.gz GFQJSHCWZOBAHT-SNVBAGLBSA-N 1 0 314.227 2.304 10 0 DEAERO O=C1[C@H]([N@@H+]2CC[C@@H]3OCCC[C@H]3C2)CCN1c1ccccc1 ZINC000246868741 275030101 /nfs/dbraw/zinc/03/01/01/275030101.db2.gz UNBKOWTZPXTSPV-UAGQMJEPSA-N 1 0 300.402 2.293 10 0 DEAERO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000262556695 275816380 /nfs/dbraw/zinc/81/63/80/275816380.db2.gz UHSNTIAJXIUCCC-INIZCTEOSA-N 1 0 301.434 2.113 10 0 DEAERO CCC[C@H](C(=O)Nc1nc2c(s1)CN(CC)CC2)[NH+](C)C ZINC000153662263 276039203 /nfs/dbraw/zinc/03/92/03/276039203.db2.gz QGEVLQXRTKUROQ-GFCCVEGCSA-N 1 0 310.467 2.190 10 0 DEAERO CC1(C)CN(CC(=O)Nc2nc3c(s2)CCCC3)CC[C@@H]1[NH3+] ZINC000261641419 276131656 /nfs/dbraw/zinc/13/16/56/276131656.db2.gz GILZNRFRWMODNR-ZDUSSCGKSA-N 1 0 322.478 2.020 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCOC[C@@H]2c2ccc(C)o2)C1 ZINC000117037468 276166391 /nfs/dbraw/zinc/16/63/91/276166391.db2.gz ULNSNXMAGZRBLF-HUUCEWRRSA-N 1 0 321.421 2.155 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000069411283 276166816 /nfs/dbraw/zinc/16/68/16/276166816.db2.gz ZLNAGHSJMKSKKR-UKRRQHHQSA-N 1 0 321.396 2.433 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000245827635 276177681 /nfs/dbraw/zinc/17/76/81/276177681.db2.gz ZLNAGHSJMKSKKR-ZFWWWQNUSA-N 1 0 321.396 2.433 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000245459078 276377746 /nfs/dbraw/zinc/37/77/46/276377746.db2.gz DHGHHFCWSXZXQO-WBVHZDCISA-N 1 0 315.461 2.380 10 0 DEAERO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000164097659 276428922 /nfs/dbraw/zinc/42/89/22/276428922.db2.gz WSHBAQTXIOWXLH-JQWIXIFHSA-N 1 0 302.465 2.126 10 0 DEAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000177503333 276871237 /nfs/dbraw/zinc/87/12/37/276871237.db2.gz ZWUYEUPIDLWCIR-CABCVRRESA-N 1 0 314.389 2.339 10 0 DEAERO CN1CCO[C@@H](C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000246395511 277119713 /nfs/dbraw/zinc/11/97/13/277119713.db2.gz LGKLUTUVDXKYLE-HOCLYGCPSA-N 1 0 302.418 2.353 10 0 DEAERO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)cs3)C[C@@H]21 ZINC000153127047 277125074 /nfs/dbraw/zinc/12/50/74/277125074.db2.gz COJSZCZITKAFOA-LSDHHAIUSA-N 1 0 319.405 2.468 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2COc3ccccc32)C1 ZINC000247022191 277155682 /nfs/dbraw/zinc/15/56/82/277155682.db2.gz ZMXVQQKWPKHRFG-CWRNSKLLSA-N 1 0 300.402 2.105 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc3c2OCCO3)C1 ZINC000247329761 277156030 /nfs/dbraw/zinc/15/60/30/277156030.db2.gz UTSFBQZFJFVWIV-DZGCQCFKSA-N 1 0 316.401 2.014 10 0 DEAERO CC(C)CC(=O)N1CCC(C[N@@H+]2CCC[C@](F)(CO)C2)CC1 ZINC000367865511 277342515 /nfs/dbraw/zinc/34/25/15/277342515.db2.gz PEANIRFXHJACHF-QGZVFWFLSA-N 1 0 314.445 2.068 10 0 DEAERO CO[C@H]1C[N@H+](Cc2ccccc2OCC(=O)N(C)C)CC[C@H]1C ZINC000188328831 277343759 /nfs/dbraw/zinc/34/37/59/277343759.db2.gz UWLRDJXDCIFIHM-PBHICJAKSA-N 1 0 320.433 2.010 10 0 DEAERO CC(C)[C@H](CNC(=O)Nc1nncs1)[NH+]1CCC(C)CC1 ZINC000043129265 277895190 /nfs/dbraw/zinc/89/51/90/277895190.db2.gz YAFHMFUPPJMXTF-LBPRGKRZSA-N 1 0 311.455 2.416 10 0 DEAERO C[C@H](C(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C)C1C[NH2+]C1 ZINC000262309890 278145995 /nfs/dbraw/zinc/14/59/95/278145995.db2.gz BRVOFDVGOKUPOA-BFQNTYOBSA-N 1 0 322.836 2.484 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000262697216 278840668 /nfs/dbraw/zinc/84/06/68/278840668.db2.gz ABDRJCRVHDVVMV-RISCZKNCSA-N 1 0 318.808 2.254 10 0 DEAERO CCN(C)[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000171480662 279044101 /nfs/dbraw/zinc/04/41/01/279044101.db2.gz YVPUQXLFSCWYRA-SFHVURJKSA-N 1 0 315.461 2.376 10 0 DEAERO CC(C)C[C@H](C)C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000184827527 279082883 /nfs/dbraw/zinc/08/28/83/279082883.db2.gz XFBFIFSOMGOCAC-IRXDYDNUSA-N 1 0 309.498 2.297 10 0 DEAERO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000471902390 279097839 /nfs/dbraw/zinc/09/78/39/279097839.db2.gz YUHDLSACIYXIJP-JFGNBEQYSA-N 1 0 305.344 2.205 10 0 DEAERO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCCO1 ZINC000246165499 279226817 /nfs/dbraw/zinc/22/68/17/279226817.db2.gz WMUCWQMLBFTMPX-IUODEOHRSA-N 1 0 310.825 2.456 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245736604 279298597 /nfs/dbraw/zinc/29/85/97/279298597.db2.gz BJTDSTRBCOBGOC-KLHDSHLOSA-N 1 0 321.465 2.070 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000151269344 279301736 /nfs/dbraw/zinc/30/17/36/279301736.db2.gz NSDSHQXQJSRTBK-BZUAXINKSA-N 1 0 309.454 2.071 10 0 DEAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cnn2c1CCCC2 ZINC000127215020 279310907 /nfs/dbraw/zinc/31/09/07/279310907.db2.gz WDFWUQYXGCIREB-UONOGXRCSA-N 1 0 304.438 2.070 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cn(C)nc1C(C)(C)C ZINC000127533962 279326993 /nfs/dbraw/zinc/32/69/93/279326993.db2.gz HGWSJZPWAURYCO-ZDUSSCGKSA-N 1 0 306.454 2.274 10 0 DEAERO C[C@H]([NH3+])CC(=O)/N=c1/sccn1Cc1ccccc1Cl ZINC000261881372 279394343 /nfs/dbraw/zinc/39/43/43/279394343.db2.gz RWPAZRLSYGBBJK-KDSBZSBUSA-N 1 0 309.822 2.416 10 0 DEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000178492475 279635029 /nfs/dbraw/zinc/63/50/29/279635029.db2.gz XEKATSCCJSGIIP-LBPRGKRZSA-N 1 0 319.430 2.074 10 0 DEAERO C[C@H]1[NH2+]CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)[C@H]1C ZINC000262899368 280049698 /nfs/dbraw/zinc/04/96/98/280049698.db2.gz XMVBMYSYJZEQLN-MNOVXSKESA-N 1 0 306.793 2.325 10 0 DEAERO CC[C@@H](C(=O)OC(C)(C)C)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000192001652 280085397 /nfs/dbraw/zinc/08/53/97/280085397.db2.gz LDDDKSACBVMQRJ-CABCVRRESA-N 1 0 314.470 2.149 10 0 DEAERO Cc1c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)[nH]c2c1C(=O)CCC2 ZINC000268430699 280219658 /nfs/dbraw/zinc/21/96/58/280219658.db2.gz YCXLESJEGWOVPU-FZMZJTMJSA-N 1 0 317.433 2.301 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261738041 280240467 /nfs/dbraw/zinc/24/04/67/280240467.db2.gz KIBDEPKWAGFUAN-GOSISDBHSA-N 1 0 317.477 2.281 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c(Cl)cc1F ZINC000262753890 280641959 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ZINC000008247338 519736914 /nfs/dbraw/zinc/73/69/14/519736914.db2.gz LVYHQXNFPKESHZ-JTQLQIEISA-N 1 0 313.348 2.097 10 0 DEAERO CCOCC[N@@H+]1CCN(CCOc2ccc(F)cc2)C[C@@H]1C ZINC000105834502 519919718 /nfs/dbraw/zinc/91/97/18/519919718.db2.gz BZJXOJZOJQDPPP-HNNXBMFYSA-N 1 0 310.413 2.247 10 0 DEAERO NC(=O)c1cnccc1N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000302226806 534506247 /nfs/dbraw/zinc/50/62/47/534506247.db2.gz PVNGQADGBUSCJC-AWEZNQCLSA-N 1 0 302.422 2.025 10 0 DEAERO CCCN(C[C@@H]1CCCCO1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000106541552 521675786 /nfs/dbraw/zinc/67/57/86/521675786.db2.gz DQCAGTNJVCIEPF-CVEARBPZSA-N 1 0 311.470 2.461 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)ccc2O)[C@@H](C)C1 ZINC000247417481 521718923 /nfs/dbraw/zinc/71/89/23/521718923.db2.gz NRGIMLIIYAMLJE-WFASDCNBSA-N 1 0 306.406 2.203 10 0 DEAERO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000363804546 522202722 /nfs/dbraw/zinc/20/27/22/522202722.db2.gz VUYJJLIRJQHIPC-OCCSQVGLSA-N 1 0 304.438 2.268 10 0 DEAERO COC(=O)COc1c(C)cc(C[N@H+](C)C[C@@H]2CCCO2)cc1C ZINC000128124409 523214711 /nfs/dbraw/zinc/21/47/11/523214711.db2.gz OJXOZASBXOEGKC-INIZCTEOSA-N 1 0 321.417 2.466 10 0 DEAERO COCCCNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157434467 523339156 /nfs/dbraw/zinc/33/91/56/523339156.db2.gz NJPDNEKANDNMFD-GOSISDBHSA-N 1 0 319.449 2.377 10 0 DEAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157608079 523356589 /nfs/dbraw/zinc/35/65/89/523356589.db2.gz PUEPZOLLLWQKBL-JSGCOSHPSA-N 1 0 324.469 2.138 10 0 DEAERO CC[C@@H]1CN([C@@H](C)c2nc(C(C)C)no2)CC[N@@H+]1CCOC ZINC000105836863 523463162 /nfs/dbraw/zinc/46/31/62/523463162.db2.gz PNNYWVBUIJWMPN-UONOGXRCSA-N 1 0 310.442 2.297 10 0 DEAERO CN(C(=O)C1=Cc2cc(Cl)ccc2OC1)C1CC[NH2+]CC1 ZINC000237062847 523787624 /nfs/dbraw/zinc/78/76/24/523787624.db2.gz AZCMEFYPTFFEBX-UHFFFAOYSA-N 1 0 306.793 2.326 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)NCCCC2CCCCC2)CC1 ZINC000156121987 524039814 /nfs/dbraw/zinc/03/98/14/524039814.db2.gz RMQCTQMRIBPMIL-UHFFFAOYSA-N 1 0 309.498 2.489 10 0 DEAERO COc1ccc(CNC(=O)C[N@H+](C)[C@@H](C)CCSC)cc1 ZINC000126516637 524049468 /nfs/dbraw/zinc/04/94/68/524049468.db2.gz BCGQQTNZSWGNCX-ZDUSSCGKSA-N 1 0 310.463 2.385 10 0 DEAERO CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261731572 534896777 /nfs/dbraw/zinc/89/67/77/534896777.db2.gz CWTPZCLOOGYUQM-CJNGLKHVSA-N 1 0 318.417 2.242 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000246250964 527365211 /nfs/dbraw/zinc/36/52/11/527365211.db2.gz JVXZSFYWBRCEGZ-MGPQQGTHSA-N 1 0 301.415 2.476 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@H](OCCCc3ccccc3)C2)C1 ZINC000246286692 527365558 /nfs/dbraw/zinc/36/55/58/527365558.db2.gz MZFHFPGYZLVDFL-KURKYZTESA-N 1 0 316.445 2.364 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)C1 ZINC000246238864 527366966 /nfs/dbraw/zinc/36/69/66/527366966.db2.gz IPPQUPCWLKSMFL-YUELXQCFSA-N 1 0 305.397 2.038 10 0 DEAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H](CO)[C@@H](C)O ZINC000419797516 527527482 /nfs/dbraw/zinc/52/74/82/527527482.db2.gz UBJLJKXVBIRIJX-ONNUJCNVSA-N 1 0 303.324 2.440 10 0 DEAERO CC(C)C(CNC(=O)NCCCC[NH+]1CCOCC1)C(C)C ZINC000194811978 527581291 /nfs/dbraw/zinc/58/12/91/527581291.db2.gz WVMCQGXLQSTBCE-UHFFFAOYSA-N 1 0 313.486 2.326 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)c1ccc2[nH]ccc2c1 ZINC000107556438 527650581 /nfs/dbraw/zinc/65/05/81/527650581.db2.gz RPVKNYFSIFRSAK-UHFFFAOYSA-N 1 0 301.390 2.010 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H]1C1CCC1 ZINC000102903457 527651060 /nfs/dbraw/zinc/65/10/60/527651060.db2.gz ARQSCEYEXJGXBB-MRXNPFEDSA-N 1 0 309.454 2.073 10 0 DEAERO CCO[C@H](C)c1noc(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)n1 ZINC000328681227 528020465 /nfs/dbraw/zinc/02/04/65/528020465.db2.gz VBEUZEMJAHQDII-MJBXVCDLSA-N 1 0 308.426 2.226 10 0 DEAERO COc1ccc(Cl)c(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000248883837 536538876 /nfs/dbraw/zinc/53/88/76/536538876.db2.gz 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CC[NH+](CC)CCNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372386879 535537624 /nfs/dbraw/zinc/53/76/24/535537624.db2.gz NDVHSBNHTBTRAR-CYBMUJFWSA-N 1 0 306.454 2.096 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCCc1nc(C2CC2)no1 ZINC000176983895 535584714 /nfs/dbraw/zinc/58/47/14/535584714.db2.gz BLDIWXUMWTTWRF-AWEZNQCLSA-N 1 0 320.437 2.212 10 0 DEAERO CCN(C(=O)CN1CC[NH2+]C[C@@H]1c1cccnc1)c1ccccc1 ZINC000261620102 535663804 /nfs/dbraw/zinc/66/38/04/535663804.db2.gz CXMOTUXHUWVKQU-GOSISDBHSA-N 1 0 324.428 2.081 10 0 DEAERO CCOC(=O)COc1ccc(CN2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261847217 535690479 /nfs/dbraw/zinc/69/04/79/535690479.db2.gz REOPEKAGMKKUFT-INIZCTEOSA-N 1 0 320.433 2.188 10 0 DEAERO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)Cc2ccccc2)CC1 ZINC000358457977 535740072 /nfs/dbraw/zinc/74/00/72/535740072.db2.gz SPXIYCMIQSJZAU-IAGOWNOFSA-N 1 0 317.477 2.007 10 0 DEAERO CCOc1ccc(NC(=O)[C@@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261891353 535746157 /nfs/dbraw/zinc/74/61/57/535746157.db2.gz 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536344236 /nfs/dbraw/zinc/34/42/36/536344236.db2.gz ONJQIOHCMZLQSB-QMMMGPOBSA-N 1 0 316.810 2.281 10 0 DEAERO C[NH2+][C@H]1CCCN(Cc2noc(Cc3ccccc3C)n2)C1 ZINC000261855273 536413242 /nfs/dbraw/zinc/41/32/42/536413242.db2.gz YPVMVLPLXFHXQU-HNNXBMFYSA-N 1 0 300.406 2.153 10 0 DEAERO CN1CC[C@@H]([N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)C1=O ZINC000246574076 536451286 /nfs/dbraw/zinc/45/12/86/536451286.db2.gz LNMAKLXVHOVMFB-LSDHHAIUSA-N 1 0 304.365 2.094 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cnc3ccccc3n2)C1 ZINC000246749785 536472304 /nfs/dbraw/zinc/47/23/04/536472304.db2.gz POWJSSSQUHPFFL-SUMWQHHRSA-N 1 0 310.401 2.186 10 0 DEAERO CN(Cc1ccccc1F)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000261919705 536482796 /nfs/dbraw/zinc/48/27/96/536482796.db2.gz RKQSDTUHEQFUCK-DHSIGJKJSA-N 1 0 320.408 2.317 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000246525901 536501397 /nfs/dbraw/zinc/50/13/97/536501397.db2.gz WCDJNGFBNXCNSX-NEPJUHHUSA-N 1 0 309.435 2.079 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2CCC3(CC[NH2+]C3)CC2)s1 ZINC000261644837 536502368 /nfs/dbraw/zinc/50/23/68/536502368.db2.gz AYPYKDYRJLIUQV-GFCCVEGCSA-N 1 0 323.462 2.375 10 0 DEAERO COc1ccc(-c2nc(CN3CC[C@@H]([NH3+])C(C)(C)C3)no2)cc1 ZINC000261611501 536514526 /nfs/dbraw/zinc/51/45/26/536514526.db2.gz BIZCBTMCADTVSB-CQSZACIVSA-N 1 0 316.405 2.304 10 0 DEAERO COC(=O)c1ccc(F)c(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262561286 536717955 /nfs/dbraw/zinc/71/79/55/536717955.db2.gz VNFOEQYAJHMRCT-ZBINZKHDSA-N 1 0 320.364 2.472 10 0 DEAERO CO[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccncc2)CC[C@@H]1C ZINC000249163900 536733558 /nfs/dbraw/zinc/73/35/58/536733558.db2.gz JULMTBPRWBIKRV-XJKSGUPXSA-N 1 0 300.406 2.339 10 0 DEAERO COc1cc(OC)c(OC)cc1CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000262554930 536866421 /nfs/dbraw/zinc/86/64/21/536866421.db2.gz TZKZVDKTAQMNOQ-TZMCWYRMSA-N 1 0 308.422 2.272 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000187914599 625437940 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CC(C)COc1cccc(CNC(=[NH2+])NC[C@@H]2CCCO2)c1 ZINC000066244720 625058095 /nfs/dbraw/zinc/05/80/95/625058095.db2.gz SSBYUZFVGKNZMG-INIZCTEOSA-N 1 0 305.422 2.305 10 0 DEAERO COc1ccccc1OCC[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000052452023 625179462 /nfs/dbraw/zinc/17/94/62/625179462.db2.gz WXJMWIVTFUXBBA-AWEZNQCLSA-N 1 0 311.422 2.182 10 0 DEAERO c1cn(-c2cc(C[NH2+]Cc3ccc4c[nH]nc4c3)ccn2)cn1 ZINC000236578292 625189686 /nfs/dbraw/zinc/18/96/86/625189686.db2.gz BEWKMYYPTNRFTO-UHFFFAOYSA-N 1 0 304.357 2.433 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1cc(Br)cn1 ZINC000177165431 625868423 /nfs/dbraw/zinc/86/84/23/625868423.db2.gz LMLHVDVKNOHWQP-LBPRGKRZSA-N 1 0 301.232 2.019 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)c3ccccc3oc2=O)C1 ZINC000177199397 625880185 /nfs/dbraw/zinc/88/01/85/625880185.db2.gz VJYXJEJLPSIHCN-CYBMUJFWSA-N 1 0 314.385 2.316 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2nc(C)ncc21 ZINC000734823792 633429819 /nfs/dbraw/zinc/42/98/19/633429819.db2.gz DXKMBCFIZVINAR-CVEARBPZSA-N 1 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O=C1C[C@]2(CCSC2)C(=O)N1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000742164776 638040760 /nfs/dbraw/zinc/04/07/60/638040760.db2.gz DRVZWMZRONVACY-KRWDZBQOSA-N 1 0 322.474 2.482 10 0 DEAERO O=C(c1ncccn1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000743337446 638135244 /nfs/dbraw/zinc/13/52/44/638135244.db2.gz RSUMRPCGZZBEDO-HNNXBMFYSA-N 1 0 302.422 2.205 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)c1nc(C)cs1 ZINC000727660198 638191493 /nfs/dbraw/zinc/19/14/93/638191493.db2.gz VKHYEZVRHVMNCT-NWDGAFQWSA-N 1 0 312.508 2.461 10 0 DEAERO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000748242804 638534480 /nfs/dbraw/zinc/53/44/80/638534480.db2.gz RATSYKOYSSKNSQ-INIZCTEOSA-N 1 0 302.378 2.089 10 0 DEAERO COC(=O)/C(C)=C/C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000748814191 638593462 /nfs/dbraw/zinc/59/34/62/638593462.db2.gz VSEVCQZATCQRQS-VGOFMYFVSA-N 1 0 322.449 2.267 10 0 DEAERO COC(=O)/C(C)=C/C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000748815598 638593731 /nfs/dbraw/zinc/59/37/31/638593731.db2.gz 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[NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC(=O)OCc1ccccc1 ZINC000150700132 646035641 /nfs/dbraw/zinc/03/56/41/646035641.db2.gz CJNORYIGWNELPY-HZPDHXFCSA-N 1 0 318.417 2.144 10 0 DEAERO Cc1nc2c(c(N(C)Cc3cccs3)n1)NC(=O)[C@H](C)N2 ZINC000224020270 646508810 /nfs/dbraw/zinc/50/88/10/646508810.db2.gz ZPSHPYIOJOWJMW-QMMMGPOBSA-N 1 0 303.391 2.235 10 0 DEAERO CC(C)C[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000226075929 646556811 /nfs/dbraw/zinc/55/68/11/646556811.db2.gz VPEMEPSDAYPMPT-ZIAGYGMSSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H](C[S@](C)=O)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000168863027 646600103 /nfs/dbraw/zinc/60/01/03/646600103.db2.gz XSDHDHRLVLYRDI-GNGCRJPWSA-N 1 0 309.353 2.095 10 0 DEAERO O=C(C[N@@H+]1CCC2(CCCC2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000174276896 646802671 /nfs/dbraw/zinc/80/26/71/646802671.db2.gz BNAUSICILHDISS-CVEARBPZSA-N 1 0 306.450 2.423 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC000174730247 646997163 /nfs/dbraw/zinc/99/71/63/646997163.db2.gz UTTDGEBHLQCGDJ-GOSISDBHSA-N 1 0 316.445 2.327 10 0 DEAERO Cn1ccnc1[C@@H]1OCCC[C@H]1C[NH2+]CCc1cccnc1 ZINC000850025008 647763167 /nfs/dbraw/zinc/76/31/67/647763167.db2.gz ROWGARAYDPQYPK-JKSUJKDBSA-N 1 0 300.406 2.115 10 0 DEAERO CC(C)[C@H](C[NH+](C)C)NC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000733164297 647893766 /nfs/dbraw/zinc/89/37/66/647893766.db2.gz ONMCNHYVHGFTCO-INIZCTEOSA-N 1 0 302.418 2.060 10 0 DEAERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000183018948 649030108 /nfs/dbraw/zinc/03/01/08/649030108.db2.gz FIHYBEXKBKFARD-ZRDIBKRKSA-N 1 0 303.362 2.209 10 0 DEAERO COc1ccc2c(C[NH2+][C@H](C)[C@@H]3CCCO3)cc(=O)oc2c1 ZINC000183112285 649039428 /nfs/dbraw/zinc/03/94/28/649039428.db2.gz HTDZQVHKHYDSLU-ABAIWWIYSA-N 1 0 303.358 2.459 10 0 DEAERO Cc1nn(CN(CCc2nccs2)C(C)C)cc1[N+](=O)[O-] ZINC000183390564 649065832 /nfs/dbraw/zinc/06/58/32/649065832.db2.gz YDUCIEPJMHOZPB-UHFFFAOYSA-N 1 0 309.395 2.467 10 0 DEAERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CSCCS1 ZINC000183509805 649098925 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CC[C@](C)([NH3+])c1cn(Cc2ncccc2Br)nn1 ZINC000384196631 685410442 /nfs/dbraw/zinc/41/04/42/685410442.db2.gz YIBZAWOKGZYQDI-LBPRGKRZSA-N 1 0 310.199 2.068 10 0 DEAERO Cc1cc(C)n(CCC[NH2+]Cc2nc(Br)c[nH]2)n1 ZINC000385778706 685414945 /nfs/dbraw/zinc/41/49/45/685414945.db2.gz WVONIAXXICXKHJ-UHFFFAOYSA-N 1 0 312.215 2.165 10 0 DEAERO Cc1nn(C)c(NC(=O)CC[NH2+]C(C)(C)C)c1Br ZINC000394251497 685455530 /nfs/dbraw/zinc/45/55/30/685455530.db2.gz DAWHQUVYUSCBGT-UHFFFAOYSA-N 1 0 317.231 2.208 10 0 DEAERO O=C(/C=C/c1ccc(Cl)nc1)OCC[NH+]1CCSCC1 ZINC000089240346 684020466 /nfs/dbraw/zinc/02/04/66/684020466.db2.gz BJVOEVZWITWXEP-DUXPYHPUSA-N 1 0 312.822 2.340 10 0 DEAERO CCc1nn(C)cc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000092699545 684044053 /nfs/dbraw/zinc/04/40/53/684044053.db2.gz BIZCJFCUEOTTBH-OAHLLOKOSA-N 1 0 313.401 2.414 10 0 DEAERO COCc1cc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)ccc1OC ZINC000125709989 684148008 /nfs/dbraw/zinc/14/80/08/684148008.db2.gz ZGKAMIGGWJVSDB-RDTXWAMCSA-N 1 0 323.433 2.281 10 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RAOKHDNWFDFUAQ-GHMZBOCLSA-N 1 0 302.403 2.075 10 0 DEAERO C[NH+](C)C1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193718666 685047823 /nfs/dbraw/zinc/04/78/23/685047823.db2.gz GBASISGMJOZLFY-UHFFFAOYSA-N 1 0 308.338 2.029 10 0 DEAERO C[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)C1=O ZINC000246452633 685130687 /nfs/dbraw/zinc/13/06/87/685130687.db2.gz XUMMEEOLUVNGAP-QZTJIDSGSA-N 1 0 317.433 2.487 10 0 DEAERO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1C[C@@H](O)C1CCCCC1 ZINC000249052001 685173442 /nfs/dbraw/zinc/17/34/42/685173442.db2.gz IGRGCMKYEOZPOZ-DLBZAZTESA-N 1 0 320.433 2.301 10 0 DEAERO O[C@H](C[NH2+]C[C@@H]1CCC[C@H]1O)c1cccc(Br)c1 ZINC000249935818 685188685 /nfs/dbraw/zinc/18/86/85/685188685.db2.gz BXINGHMFKWBSCH-IACUBPJLSA-N 1 0 314.223 2.233 10 0 DEAERO CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)CC[C@@H]1C(F)(F)F ZINC000886038217 691989601 /nfs/dbraw/zinc/98/96/01/691989601.db2.gz SITLTIFDKCFRQS-QWHCGFSZSA-N 1 0 301.312 2.113 10 0 DEAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)Cc2c(C)noc2C)C1 ZINC000886077723 691998753 /nfs/dbraw/zinc/99/87/53/691998753.db2.gz HLFIFGXIXLRATI-UAGQMJEPSA-N 1 0 307.438 2.365 10 0 DEAERO CCO[C@]1(c2nnc(-c3ccc4c[nH+]cn4c3C)o2)CCOC1 ZINC000886082273 691999648 /nfs/dbraw/zinc/99/96/48/691999648.db2.gz RGNJPZMCYOIXEK-MRXNPFEDSA-N 1 0 314.345 2.345 10 0 DEAERO CC(C)[C@@H](C[NH2+][C@@H]1CCCOC1)ONC(=O)OC(C)(C)C ZINC000398704347 790288989 /nfs/dbraw/zinc/28/89/89/790288989.db2.gz SNHMOMGYQOZLHP-CHWSQXEVSA-N 1 0 302.415 2.236 10 0 DEAERO CC(C)[C@H](C[NH2+]Cc1cncnc1)ONC(=O)OC(C)(C)C ZINC000398770243 790291239 /nfs/dbraw/zinc/29/12/39/790291239.db2.gz CBYRQXKKOYQASO-ZDUSSCGKSA-N 1 0 310.398 2.047 10 0 DEAERO C[NH2+]CCN(C(C)C)S(=O)(=O)c1c(C)sc(C)c1C ZINC000722594441 776539555 /nfs/dbraw/zinc/53/95/55/776539555.db2.gz UOSSINLIFQVLKJ-UHFFFAOYSA-N 1 0 304.481 2.292 10 0 DEAERO CC(C)(C)CC[NH+]1CCN(C(=O)/C=C\c2cncc(O)c2)CC1 ZINC000588408784 777095204 /nfs/dbraw/zinc/09/52/04/777095204.db2.gz VOJQTCVXJIRTLP-PLNGDYQASA-N 1 0 317.433 2.381 10 0 DEAERO CN1C[C@H](CC[NH2+]Cc2cccc(Br)c2)CC1=O ZINC000723566622 777124882 /nfs/dbraw/zinc/12/48/82/777124882.db2.gz KOWYTZGNJHXQCI-GFCCVEGCSA-N 1 0 311.223 2.407 10 0 DEAERO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2ccncn2)C1 ZINC000588438843 777195056 /nfs/dbraw/zinc/19/50/56/777195056.db2.gz BEFPAPNJJMYZSP-XITLMJRVSA-N 1 0 308.385 2.009 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901423 777202310 /nfs/dbraw/zinc/20/23/10/777202310.db2.gz HVLOHHOIKZYJPW-ZYHUDNBSSA-N 1 0 316.854 2.254 10 0 DEAERO CC(C)(C)OC(=O)N1CC([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000724006144 777219038 /nfs/dbraw/zinc/21/90/38/777219038.db2.gz CLEFGGZTQIPOTH-ZFWWWQNUSA-N 1 0 310.438 2.401 10 0 DEAERO CC[C@@H]([NH2+]Cc1nc(Br)c[nH]1)[C@@H]1CCCOC1 ZINC000724011146 777220572 /nfs/dbraw/zinc/22/05/72/777220572.db2.gz CYGJJKQEOHRUGN-NXEZZACHSA-N 1 0 302.216 2.467 10 0 DEAERO C[C@](O)(C[NH2+][C@H]1CCOC(C)(C)C1)C(F)(F)C(F)(F)F ZINC000724036303 777225828 /nfs/dbraw/zinc/22/58/28/777225828.db2.gz LSVDJQKAOYWMNQ-WPRPVWTQSA-N 1 0 305.287 2.482 10 0 DEAERO COCC1(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CCC1 ZINC000724037946 777226521 /nfs/dbraw/zinc/22/65/21/777226521.db2.gz WKTIIZTYMAPACE-VIFPVBQESA-N 1 0 305.287 2.341 10 0 DEAERO C[C@@](O)(C[N@@H+]1CCC[C@](C)(O)CC1)C(F)(F)C(F)(F)F ZINC000724041750 777228905 /nfs/dbraw/zinc/22/89/05/777228905.db2.gz OVVRXXACHZSVGY-VHSXEESVSA-N 1 0 305.287 2.172 10 0 DEAERO Cc1cnc(C[NH2+]C[C@H](O)COCc2ccccc2)c(C)c1 ZINC000724095421 777239669 /nfs/dbraw/zinc/23/96/69/777239669.db2.gz KKQHQJJSTVNOOQ-KRWDZBQOSA-N 1 0 300.402 2.366 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CC2(CCO)CC2)C1 ZINC000724106141 777242325 /nfs/dbraw/zinc/24/23/25/777242325.db2.gz XHZZCENPNFBWLC-KGLIPLIRSA-N 1 0 312.454 2.432 10 0 DEAERO Cc1csc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)n1 ZINC000724325486 777276208 /nfs/dbraw/zinc/27/62/08/777276208.db2.gz VDQYCFVVWGMGOL-YEJSDXFRSA-N 1 0 300.449 2.210 10 0 DEAERO CC[C@H]1C[C@H]([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CCO1 ZINC000724624646 777406893 /nfs/dbraw/zinc/40/68/93/777406893.db2.gz DZUNIGZJZVDZNV-AGIUHOORSA-N 1 0 300.399 2.085 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000725079059 777579029 /nfs/dbraw/zinc/57/90/29/777579029.db2.gz ZZMLZFXUNTXYJV-LBPRGKRZSA-N 1 0 314.476 2.318 10 0 DEAERO CC(C)(C)OC(=O)NCCC[NH2+][C@H](CCO)C1CCCC1 ZINC000725097953 777585296 /nfs/dbraw/zinc/58/52/96/777585296.db2.gz GBBNODJHGFTYJO-CQSZACIVSA-N 1 0 300.443 2.432 10 0 DEAERO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC(=O)NCc2ccccc2)CCO1 ZINC000721595029 777601486 /nfs/dbraw/zinc/60/14/86/777601486.db2.gz RYWXCMMDHWERQK-CVEARBPZSA-N 1 0 304.434 2.486 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000722316111 778603532 /nfs/dbraw/zinc/60/35/32/778603532.db2.gz GVIUGDBEFGSQRI-HUUCEWRRSA-N 1 0 310.438 2.401 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c1C ZINC000722570801 778790577 /nfs/dbraw/zinc/79/05/77/778790577.db2.gz NETHNBUKAACSCQ-LBPRGKRZSA-N 1 0 302.465 2.031 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000721893056 781582887 /nfs/dbraw/zinc/58/28/87/781582887.db2.gz WLLWKOPYYMLJON-JTQLQIEISA-N 1 0 323.245 2.270 10 0 DEAERO CCC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)C1CCCC1 ZINC000721242338 781740698 /nfs/dbraw/zinc/74/06/98/781740698.db2.gz LDKVESFKVRAWIY-GJZGRUSLSA-N 1 0 303.468 2.139 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=S)NC2CC[NH+](C)CC2)c1 ZINC000745181413 784691098 /nfs/dbraw/zinc/69/10/98/784691098.db2.gz MCXRRJRLOMCWJB-UHFFFAOYSA-N 1 0 320.462 2.050 10 0 DEAERO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1c(C)sc(C)c1C ZINC000722564234 787332223 /nfs/dbraw/zinc/33/22/23/787332223.db2.gz CXUVJAHHGFNEAG-GFCCVEGCSA-N 1 0 302.465 2.046 10 0 DEAERO C[C@@H]1[C@H]([NH2+]CC[C@@H]2CC(=O)N(C)C2)CCN1Cc1ccccc1 ZINC000723582001 787344398 /nfs/dbraw/zinc/34/43/98/787344398.db2.gz MSQXLKAQAMDWOH-KBAYOESNSA-N 1 0 315.461 2.107 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]CC2(CO)CCCCC2)C1 ZINC000397742332 790215306 /nfs/dbraw/zinc/21/53/06/790215306.db2.gz LFQMYLDBBKWDEL-UHFFFAOYSA-N 1 0 312.454 2.386 10 0 DEAERO CCn1nc(C)c(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC000397777619 790219531 /nfs/dbraw/zinc/21/95/31/790219531.db2.gz UDVDCUCNVOVLPQ-UHFFFAOYSA-N 1 0 322.453 2.476 10 0 DEAERO CCS(=O)(=O)CC[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398047203 790243101 /nfs/dbraw/zinc/24/31/01/790243101.db2.gz CNIUDRCMAWEFRP-QGZVFWFLSA-N 1 0 324.490 2.065 10 0 DEAERO CC1CC[NH+](CCNCc2cn(C)nc2Br)CC1 ZINC000712462124 792188970 /nfs/dbraw/zinc/18/89/70/792188970.db2.gz KLWAFZFTHNMUQO-UHFFFAOYSA-N 1 0 315.259 2.004 10 0 DEAERO CCN1CC[C@@H]1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000712593762 792192393 /nfs/dbraw/zinc/19/23/93/792192393.db2.gz IAPISJODXMYXDR-KGLIPLIRSA-N 1 0 313.239 2.166 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2CO[C@H](C[NH3+])C2)cc1Br ZINC000713799295 792245587 /nfs/dbraw/zinc/24/55/87/792245587.db2.gz ZUCPGZVMMDENCH-KOLCDFICSA-N 1 0 313.195 2.060 10 0 DEAERO [NH3+]C[C@H]1C[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)CO1 ZINC000713859511 792263022 /nfs/dbraw/zinc/26/30/22/792263022.db2.gz RDSVWAUGZUXFPW-PSASIEDQSA-N 1 0 302.346 2.304 10 0 DEAERO CO[C@H]1C[C@H](C[NH2+]Cc2c(Br)c(C)nn2C)C1 ZINC000714584435 792320266 /nfs/dbraw/zinc/32/02/66/792320266.db2.gz LQXKRFYJIFAGGN-MGCOHNPYSA-N 1 0 302.216 2.006 10 0 DEAERO CCC1([NH3+])CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000714754956 792334884 /nfs/dbraw/zinc/33/48/84/792334884.db2.gz ZYDMMCWCFHBSTE-UHFFFAOYSA-N 1 0 308.856 2.294 10 0 DEAERO CCC1([NH3+])CCN(S(=O)(=O)c2sc(C)cc2C)CC1 ZINC000714758568 792334916 /nfs/dbraw/zinc/33/49/16/792334916.db2.gz JHVSAAOUVORRSF-UHFFFAOYSA-N 1 0 302.465 2.257 10 0 DEAERO O=C(c1coc(Br)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000714988726 792364743 /nfs/dbraw/zinc/36/47/43/792364743.db2.gz QWWZHIZIKZDAKK-ONGXEEELSA-N 1 0 313.195 2.256 10 0 DEAERO O=S(=O)(CCCC1CC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000714986995 792365416 /nfs/dbraw/zinc/36/54/16/792365416.db2.gz ULQROENRVBOCNX-CABCVRRESA-N 1 0 300.468 2.113 10 0 DEAERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1cnccn1 ZINC000715068768 792379958 /nfs/dbraw/zinc/37/99/58/792379958.db2.gz ZBYXGZKYLWSHBF-HIFPTAJRSA-N 1 0 306.410 2.431 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)Nc2cc(Br)ccc2F)C1(F)F ZINC000715156876 792398404 /nfs/dbraw/zinc/39/84/04/792398404.db2.gz HTEDCCAQUIYPOC-HZGVNTEJSA-N 1 0 323.112 2.367 10 0 DEAERO C[C@@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)N(C)C ZINC000716730987 793003489 /nfs/dbraw/zinc/00/34/89/793003489.db2.gz ISZBEAOAQIDOOZ-SPUZQDLCSA-N 1 0 315.461 2.106 10 0 DEAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC(C(N)=O)C1 ZINC000716755171 793004681 /nfs/dbraw/zinc/00/46/81/793004681.db2.gz LIHPUTXKPWOOLE-FJJSSXBZSA-N 1 0 311.223 2.234 10 0 DEAERO CCC[C@@H](CCO)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000716827532 793008203 /nfs/dbraw/zinc/00/82/03/793008203.db2.gz HCJQUGYYKSUCKJ-MOKVOYLWSA-N 1 0 300.443 2.430 10 0 DEAERO FC(F)(F)c1nnc(NC[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000717131818 799224323 /nfs/dbraw/zinc/22/43/23/799224323.db2.gz MNLFMXMAPBBKKS-YFKPBYRVSA-N 1 0 302.272 2.214 10 0 DEAERO CO[C@H]1CN(C(=O)c2cscc2C(F)F)[C@@](C)(C[NH3+])C1 ZINC000717219866 799261555 /nfs/dbraw/zinc/26/15/55/799261555.db2.gz GFADSIHIQKWNIN-AMIZOPFISA-N 1 0 304.362 2.264 10 0 DEAERO C[C@H]([NH2+]CC1(CO)CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000717644400 799427671 /nfs/dbraw/zinc/42/76/71/799427671.db2.gz ZZEQXMBFSDAOLT-UONOGXRCSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)cn2)CN(C(=O)OC(C)(C)C)C1 ZINC000401639924 801835761 /nfs/dbraw/zinc/83/57/61/801835761.db2.gz GQNAJOKMQRTKGO-UKRRQHHQSA-N 1 0 322.453 2.198 10 0 DEAERO CC[C@H](O)CC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401723890 801846035 /nfs/dbraw/zinc/84/60/35/801846035.db2.gz BXQBETFEIDORHT-RDBSUJKOSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H](Nc1nccnc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000402805662 801910951 /nfs/dbraw/zinc/91/09/51/801910951.db2.gz BOUQUWQVEUATQY-ZFWWWQNUSA-N 1 0 300.381 2.360 10 0 DEAERO Brc1csnc1-c1nc(C2CC[NH2+]CC2)no1 ZINC000404882310 802035171 /nfs/dbraw/zinc/03/51/71/802035171.db2.gz GQDBEOIFUFBVKI-UHFFFAOYSA-N 1 0 315.196 2.423 10 0 DEAERO Cc1nc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)sc1Br ZINC000719272567 1088915945 /nfs/dbraw/zinc/91/59/45/1088915945.db2.gz DOQWXKCDRRXFDX-SFYZADRCSA-N 1 0 305.241 2.463 10 0 DEAERO COc1cccc(C[NH2+]CCCOC[C@H]2CCCO2)c1OC ZINC000066403715 1079843015 /nfs/dbraw/zinc/84/30/15/1079843015.db2.gz ASAHQZXAHWODPE-OAHLLOKOSA-N 1 0 309.406 2.379 10 0 DEAERO CCS(=O)(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000066875698 1079862199 /nfs/dbraw/zinc/86/21/99/1079862199.db2.gz GOQHRRRKYRXEDP-UHFFFAOYSA-N 1 0 311.234 2.022 10 0 DEAERO CC(=O)N1CCN(CC[NH2+]Cc2csc3ccccc23)CC1 ZINC000067699434 1079900431 /nfs/dbraw/zinc/90/04/31/1079900431.db2.gz QENOEVMXUBFOQF-UHFFFAOYSA-N 1 0 317.458 2.155 10 0 DEAERO c1nn2ccccc2c1C[NH2+]CCCOCC1CCOCC1 ZINC000077424717 1080470166 /nfs/dbraw/zinc/47/01/66/1080470166.db2.gz XNLUQEWUSVZNAH-UHFFFAOYSA-N 1 0 303.406 2.257 10 0 DEAERO c1cn(-c2ccc(C[NH2+]CCCOC[C@@H]3CCOC3)cc2)cn1 ZINC000077446943 1080472565 /nfs/dbraw/zinc/47/25/65/1080472565.db2.gz LPJANUOBDGOITI-KRWDZBQOSA-N 1 0 315.417 2.405 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)CCC(C)(C)C1CC1 ZINC000717938958 1081820301 /nfs/dbraw/zinc/82/03/01/1081820301.db2.gz SHTXSXXIHOKIHI-JSGCOSHPSA-N 1 0 302.484 2.344 10 0 DEAERO CC1(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC(F)(F)C1 ZINC000720505322 1085258614 /nfs/dbraw/zinc/25/86/14/1085258614.db2.gz JFZYTWFCPLTHGK-JGVFFNPUSA-N 1 0 300.271 2.017 10 0 DEAERO CO[C@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2Br)C1 ZINC000720645729 1085803384 /nfs/dbraw/zinc/80/33/84/1085803384.db2.gz LZIFYTOSECNBSV-MNOVXSKESA-N 1 0 302.216 2.230 10 0 DEAERO Cn1cc(C[NH2+]CC[C@H](O)c2ccccc2)c(Br)n1 ZINC000720657401 1085818934 /nfs/dbraw/zinc/81/89/34/1085818934.db2.gz SGLUODCOZQCYHR-ZDUSSCGKSA-N 1 0 324.222 2.396 10 0 DEAERO Cn1cc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)c(Br)n1 ZINC000720674900 1085846921 /nfs/dbraw/zinc/84/69/21/1085846921.db2.gz SFUGHXHFBHWWNY-OLZOCXBDSA-N 1 0 321.222 2.417 10 0 DEAERO C[C@@H](O)CC[NH2+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000720750395 1086071378 /nfs/dbraw/zinc/07/13/78/1086071378.db2.gz LBCDQAJGRDCXFB-GDBMZVCRSA-N 1 0 306.406 2.148 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccnc(Br)c1 ZINC000720828898 1086183525 /nfs/dbraw/zinc/18/35/25/1086183525.db2.gz JVDSXZVCWUCPPP-NEPJUHHUSA-N 1 0 324.222 2.153 10 0 DEAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(Br)nn1C ZINC000701042644 1086347945 /nfs/dbraw/zinc/34/79/45/1086347945.db2.gz MATCLLXXDYMABT-APOZVJGGSA-N 1 0 302.216 2.084 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCOC2CCOCC2)CN1Cc1ccccc1 ZINC000701399212 1086363110 /nfs/dbraw/zinc/36/31/10/1086363110.db2.gz PFOLMLJVQDVEHP-AEFFLSMTSA-N 1 0 318.461 2.435 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCOC2CCOCC2)CN1Cc1ccccc1 ZINC000701399213 1086363722 /nfs/dbraw/zinc/36/37/22/1086363722.db2.gz PFOLMLJVQDVEHP-FUHWJXTLSA-N 1 0 318.461 2.435 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc(Cc2ccccn2)no1 ZINC000702213614 1086414997 /nfs/dbraw/zinc/41/49/97/1086414997.db2.gz LZKCGKJLFQKZPJ-MRXNPFEDSA-N 1 0 323.400 2.187 10 0 DEAERO CCOCC(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705935739 1086627919 /nfs/dbraw/zinc/62/79/19/1086627919.db2.gz VFCADRBRUCOUEG-KDURUIRLSA-N 1 0 316.445 2.394 10 0 DEAERO CN(CCOCC[NH2+][C@@H]1CCCOCC1)C(=O)OC(C)(C)C ZINC000705914218 1086629143 /nfs/dbraw/zinc/62/91/43/1086629143.db2.gz XNZXNSDDUSELSN-CQSZACIVSA-N 1 0 316.442 2.029 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]CC1CCOCC1)C2 ZINC000706535657 1086640797 /nfs/dbraw/zinc/64/07/97/1086640797.db2.gz OXUUKULLKSSGRC-UHFFFAOYSA-N 1 0 310.438 2.402 10 0 DEAERO Cn1ncc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCCCC2)n1 ZINC000707843892 1086675885 /nfs/dbraw/zinc/67/58/85/1086675885.db2.gz PKPWNEIRTAZNHC-UHFFFAOYSA-N 1 0 323.441 2.132 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000710957197 1086691707 /nfs/dbraw/zinc/69/17/07/1086691707.db2.gz CRMNFEOCFQDTLN-WOPDTQHZSA-N 1 0 302.415 2.029 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711337290 1087071276 /nfs/dbraw/zinc/07/12/76/1087071276.db2.gz XHTFJIAXKFEMJT-JTQLQIEISA-N 1 0 315.211 2.246 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000711419518 1087099913 /nfs/dbraw/zinc/09/99/13/1087099913.db2.gz PMYJPGJOQMIZFA-MELADBBJSA-N 1 0 309.454 2.116 10 0 DEAERO C[C@H](O)C[C@H](C)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711448740 1087117145 /nfs/dbraw/zinc/11/71/45/1087117145.db2.gz FOAKLLMLOROOBB-XDQVBPFNSA-N 1 0 300.443 2.286 10 0 DEAERO O=C(Cc1ccc(Br)cc1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711607499 1087173667 /nfs/dbraw/zinc/17/36/67/1087173667.db2.gz NFYVECSDHIBTKH-HIFRSBDPSA-N 1 0 323.234 2.392 10 0 DEAERO Brc1c[nH]c(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)n1 ZINC000711838147 1087202854 /nfs/dbraw/zinc/20/28/54/1087202854.db2.gz ZCVYMPCVXWNHJT-ZWNOBZJWSA-N 1 0 314.227 2.467 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000718502912 1088569079 /nfs/dbraw/zinc/56/90/79/1088569079.db2.gz OPWBRFLAJAGEFD-UHFFFAOYSA-N 1 0 304.362 2.479 10 0 DEAERO Cc1nc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)sc1Br ZINC000719273129 1088917183 /nfs/dbraw/zinc/91/71/83/1088917183.db2.gz SOOIFLSDJMXAGZ-BDAKNGLRSA-N 1 0 302.241 2.008 10 0 DEAERO C[NH2+][C@@H]1CCCN(Cc2nc(C)c(Br)s2)C1 ZINC000719251049 1088913922 /nfs/dbraw/zinc/91/39/22/1088913922.db2.gz HVCACTCMBQXDAY-SECBINFHSA-N 1 0 304.257 2.398 10 0 DEAERO CON1CCC([NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000719256216 1088914088 /nfs/dbraw/zinc/91/40/88/1088914088.db2.gz HSLMTRAFCKCSCQ-UHFFFAOYSA-N 1 0 320.256 2.329 10 0 DEAERO C([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1nc2c(s1)CCC2 ZINC000719530664 1089286659 /nfs/dbraw/zinc/28/66/59/1089286659.db2.gz NVCJRGXDFOQQNP-DGCLKSJQSA-N 1 0 309.504 2.301 10 0 DEAERO C([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1nc2c(s1)CCC2 ZINC000719530663 1089287138 /nfs/dbraw/zinc/28/71/38/1089287138.db2.gz NVCJRGXDFOQQNP-AAEUAGOBSA-N 1 0 309.504 2.301 10 0 DEAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000719581266 1089311554 /nfs/dbraw/zinc/31/15/54/1089311554.db2.gz KKHXXIMEBSLHHE-SOUVJXGZSA-N 1 0 313.486 2.466 10 0 DEAERO Cc1nc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)sc1Br ZINC000719602900 1089325091 /nfs/dbraw/zinc/32/50/91/1089325091.db2.gz QFTYSZQTZZOKSN-RKDXNWHRSA-N 1 0 304.257 2.396 10 0 DEAERO C[C@@H]1[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCN1C ZINC000719608722 1089327136 /nfs/dbraw/zinc/32/71/36/1089327136.db2.gz HKUKWGKBOFHRSH-HONMWMINSA-N 1 0 313.239 2.165 10 0 DEAERO NC(=O)c1ccc(NC(=O)CCc2[nH+]cc3ccccn32)cc1 ZINC000074623736 185003539 /nfs/dbraw/zinc/00/35/39/185003539.db2.gz MNUNVODSVKYPOZ-UHFFFAOYSA-N 1 0 308.341 2.005 10 0 DEAERO Cc1csc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000074720753 185011953 /nfs/dbraw/zinc/01/19/53/185011953.db2.gz YLCOYFSWGWNETQ-UHFFFAOYSA-N 1 0 316.430 2.456 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1Sc1nccc(=O)[nH]1 ZINC000081774706 192322936 /nfs/dbraw/zinc/32/29/36/192322936.db2.gz IJEJQTQCVAOCNR-TZMCWYRMSA-N 1 0 303.387 2.386 10 0 DEAERO CCC[C@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)[NH+](C)C ZINC000162153391 197548424 /nfs/dbraw/zinc/54/84/24/197548424.db2.gz YPLCCDPPYNBHPW-HZPDHXFCSA-N 1 0 317.433 2.029 10 0 DEAERO CCOC(=O)CSC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081794902 192324353 /nfs/dbraw/zinc/32/43/53/192324353.db2.gz GSLFLVWXLSJKOT-GFCCVEGCSA-N 1 0 311.403 2.144 10 0 DEAERO CCOC(=O)CSC[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081794900 192324833 /nfs/dbraw/zinc/32/48/33/192324833.db2.gz GSLFLVWXLSJKOT-LBPRGKRZSA-N 1 0 311.403 2.144 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(OC)c(CSc2nnnn2C)c1 ZINC000081844812 192332300 /nfs/dbraw/zinc/33/23/00/192332300.db2.gz NETBIRHWIPRFBF-JTQLQIEISA-N 1 0 307.423 2.182 10 0 DEAERO CC[C@H](Sc1n[nH]c(=O)n1C1CC1)[C@H]([NH3+])c1ccccc1 ZINC000081880280 192334106 /nfs/dbraw/zinc/33/41/06/192334106.db2.gz GUUFGUYFHDLEIW-QWHCGFSZSA-N 1 0 304.419 2.477 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1SC1CCOCC1)OCCO2 ZINC000081891622 192334302 /nfs/dbraw/zinc/33/43/02/192334302.db2.gz DRGJSNRLDWBMKS-KBPBESRZSA-N 1 0 301.452 2.172 10 0 DEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1Sc1n[nH]c(=O)n1C(C)C ZINC000081879398 192334338 /nfs/dbraw/zinc/33/43/38/192334338.db2.gz VFTXRVJCLMTHTC-OLZOCXBDSA-N 1 0 304.419 2.130 10 0 DEAERO CCn1c(=O)[nH]nc1SC[C@H]([NH2+]C)c1ccc(C)c(C)c1 ZINC000081882126 192334575 /nfs/dbraw/zinc/33/45/75/192334575.db2.gz KXYDWFHJOVEAJM-ZDUSSCGKSA-N 1 0 306.435 2.261 10 0 DEAERO CC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000081919962 192339242 /nfs/dbraw/zinc/33/92/42/192339242.db2.gz ORKXAXYGJMLHSC-HOTGVXAUSA-N 1 0 311.447 2.351 10 0 DEAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1S(=O)(=O)CC(C)C ZINC000081928366 192340152 /nfs/dbraw/zinc/34/01/52/192340152.db2.gz PCWDPTSBIWXMLR-HOTGVXAUSA-N 1 0 311.447 2.341 10 0 DEAERO CC(C)C[NH2+]Cc1cc(Cl)ccc1-n1cc(C(N)=O)cn1 ZINC000163326297 197623353 /nfs/dbraw/zinc/62/33/53/197623353.db2.gz OQIVWTMUEBAQFQ-UHFFFAOYSA-N 1 0 306.797 2.370 10 0 DEAERO Cc1cccc(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)c1 ZINC000096780296 185387270 /nfs/dbraw/zinc/38/72/70/185387270.db2.gz UOCOSWINZNNNTJ-UHFFFAOYSA-N 1 0 310.401 2.394 10 0 DEAERO CCC[C@H]1CCN(S(=O)(=O)c2ccc(CC[NH2+]C)cc2)C1 ZINC000163642499 197642496 /nfs/dbraw/zinc/64/24/96/197642496.db2.gz XVNOIBPVNUORTN-HNNXBMFYSA-N 1 0 310.463 2.259 10 0 DEAERO COCCn1ncc(Br)c1[C@H]1CCC[C@H]1C[NH3+] ZINC000163594272 197640529 /nfs/dbraw/zinc/64/05/29/197640529.db2.gz YWMIPHKPCDUTHA-UWVGGRQHSA-N 1 0 302.216 2.134 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)CCc2ccccc2Cl)CCO1 ZINC000116794778 282136888 /nfs/dbraw/zinc/13/68/88/282136888.db2.gz GBNSZRXBYJSMSO-AWEZNQCLSA-N 1 0 310.825 2.062 10 0 DEAERO COC(=O)[C@@](C)(c1ccc(F)cc1Cl)N1CCC[NH2+]CC1 ZINC000078901411 185125890 /nfs/dbraw/zinc/12/58/90/185125890.db2.gz LECWXYCHZIHJCF-OAHLLOKOSA-N 1 0 314.788 2.163 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2CCC[C@@H]1S(=O)(=O)CCOC ZINC000081944010 192344371 /nfs/dbraw/zinc/34/43/71/192344371.db2.gz FGZSHDCRALHLBK-JKSUJKDBSA-N 1 0 311.447 2.103 10 0 DEAERO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000128296152 282146756 /nfs/dbraw/zinc/14/67/56/282146756.db2.gz SNGGHXFCWVONKM-DLBZAZTESA-N 1 0 302.418 2.389 10 0 DEAERO O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)NCc1ccco1 ZINC000152920052 282157619 /nfs/dbraw/zinc/15/76/19/282157619.db2.gz DHNHSRXVAGIBNC-INIZCTEOSA-N 1 0 306.406 2.319 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000082315257 185175536 /nfs/dbraw/zinc/17/55/36/185175536.db2.gz UVQINBUFSMKIBW-OAHLLOKOSA-N 1 0 319.424 2.349 10 0 DEAERO CCCS(=O)(=O)[C@H]1CCc2cc(OC)ccc2[C@@H]1[NH2+]CC ZINC000081961493 192346152 /nfs/dbraw/zinc/34/61/52/192346152.db2.gz UPTNKQQTOLQYAY-HOTGVXAUSA-N 1 0 311.447 2.485 10 0 DEAERO COc1cc(Br)c(C(=O)[C@@H]2CCC[NH2+]2)cc1OC ZINC000082724504 185197096 /nfs/dbraw/zinc/19/70/96/185197096.db2.gz CEZQMIDIXFIEMN-JTQLQIEISA-N 1 0 314.179 2.401 10 0 DEAERO Cc1cc(CN(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)no1 ZINC000328628265 231261250 /nfs/dbraw/zinc/26/12/50/231261250.db2.gz HCJOCCAXJCRUQU-WMLDXEAASA-N 1 0 317.437 2.231 10 0 DEAERO CCC[C@H](C[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000087406182 185224097 /nfs/dbraw/zinc/22/40/97/185224097.db2.gz QEDKIKMHOVRSOF-SECBINFHSA-N 1 0 311.179 2.173 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](COc2ccc(Br)c(F)c2)O1 ZINC000087436791 185225010 /nfs/dbraw/zinc/22/50/10/185225010.db2.gz MBEDRGONEOYBLC-UWVGGRQHSA-N 1 0 304.159 2.473 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](COc2ccc(Br)c(F)c2)O1 ZINC000087436789 185225091 /nfs/dbraw/zinc/22/50/91/185225091.db2.gz MBEDRGONEOYBLC-NXEZZACHSA-N 1 0 304.159 2.473 10 0 DEAERO CC(C)c1nnsc1C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000087442890 185225275 /nfs/dbraw/zinc/22/52/75/185225275.db2.gz HRIWDRXUZNFAAA-NEPJUHHUSA-N 1 0 308.451 2.408 10 0 DEAERO CCCc1nnsc1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000087455615 185225540 /nfs/dbraw/zinc/22/55/40/185225540.db2.gz BIYOIWCRKONCEW-UHFFFAOYSA-N 1 0 306.391 2.080 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)NCc1ccccc1C[NH3+] ZINC000087455600 185225607 /nfs/dbraw/zinc/22/56/07/185225607.db2.gz FEJDESHWXSFFNY-UHFFFAOYSA-N 1 0 304.419 2.224 10 0 DEAERO CCCC[C@@H](C[NH3+])Nc1ncncc1I ZINC000087780082 185231779 /nfs/dbraw/zinc/23/17/79/185231779.db2.gz PPJKEVWESIVKJM-QMMMGPOBSA-N 1 0 320.178 2.011 10 0 DEAERO COc1ccc(Br)c(C[C@]2(O)CCC[NH2+]C2)c1 ZINC000087790789 185231999 /nfs/dbraw/zinc/23/19/99/185231999.db2.gz IJSHRNBGVVWSGC-CYBMUJFWSA-N 1 0 300.196 2.115 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000087515411 185227356 /nfs/dbraw/zinc/22/73/56/185227356.db2.gz RNOFBNJRHWOZCC-CYBMUJFWSA-N 1 0 309.841 2.364 10 0 DEAERO Cc1cc(C[NH2+]C2CCN(CC(=O)N(C)C)CC2)sc1C ZINC000087579455 185228920 /nfs/dbraw/zinc/22/89/20/185228920.db2.gz QUJRGBAKYUYPDJ-UHFFFAOYSA-N 1 0 309.479 2.007 10 0 DEAERO CC1(C)CCCN(S(=O)(=O)c2ccc(CC[NH3+])s2)CC1 ZINC000087658795 185229805 /nfs/dbraw/zinc/22/98/05/185229805.db2.gz CUQPDWPVDCBFOS-UHFFFAOYSA-N 1 0 316.492 2.450 10 0 DEAERO C[C@H](CC[NH3+])C(=O)Nc1ccccc1I ZINC000087635104 185229896 /nfs/dbraw/zinc/22/98/96/185229896.db2.gz PRJLSHNXZDIIQE-MRVPVSSYSA-N 1 0 318.158 2.215 10 0 DEAERO COc1ccc(Br)c(Cn2cc(CC[NH3+])cn2)c1 ZINC000087797541 185232268 /nfs/dbraw/zinc/23/22/68/185232268.db2.gz RIDXSJDEJCWSFE-UHFFFAOYSA-N 1 0 310.195 2.204 10 0 DEAERO COc1ccc(Nc2cc(NN)[nH+]cn2)cc1Br ZINC000087889206 185234792 /nfs/dbraw/zinc/23/47/92/185234792.db2.gz QEWXFSKFZHPKHA-UHFFFAOYSA-N 1 0 310.155 2.277 10 0 DEAERO NNc1nc(Oc2cncc(Br)c2)c(Cl)c[nH+]1 ZINC000087890579 185234804 /nfs/dbraw/zinc/23/48/04/185234804.db2.gz APOXNCMXNYOECW-UHFFFAOYSA-N 1 0 316.546 2.365 10 0 DEAERO C[C@@H]1C[C@H](C)CN(c2nc(NN)[nH+]cc2Br)C1 ZINC000087897148 185235726 /nfs/dbraw/zinc/23/57/26/185235726.db2.gz WVBCOHZNRGFSJG-OCAPTIKFSA-N 1 0 300.204 2.007 10 0 DEAERO COc1ccc(Br)cc1C[C@]1(C[NH3+])CCC[C@@H]1O ZINC000087931872 185237678 /nfs/dbraw/zinc/23/76/78/185237678.db2.gz YXWAYQFVPBIXDV-KBPBESRZSA-N 1 0 314.223 2.490 10 0 DEAERO CC(C)([NH3+])CS(=O)(=O)Cc1sccc1Br ZINC000088072522 185238851 /nfs/dbraw/zinc/23/88/51/185238851.db2.gz UWSYJRXZABCNPQ-UHFFFAOYSA-N 1 0 312.254 2.163 10 0 DEAERO COc1ccc(Br)cc1C[C@H]([NH3+])[C@@H]1CCOC1 ZINC000087804410 185232643 /nfs/dbraw/zinc/23/26/43/185232643.db2.gz XLYBFBCDQUSZPJ-SKDRFNHKSA-N 1 0 300.196 2.364 10 0 DEAERO CC[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccncc1 ZINC000173499558 282190818 /nfs/dbraw/zinc/19/08/18/282190818.db2.gz YPXKOKBUAKPZLV-HZPDHXFCSA-N 1 0 302.422 2.412 10 0 DEAERO COCCOCCn1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837325 185233183 /nfs/dbraw/zinc/23/31/83/185233183.db2.gz UXYQHQJIYUNTRC-UHFFFAOYSA-N 1 0 314.183 2.044 10 0 DEAERO CN(Cc1ccccc1Br)c1cc(NN)[nH+]cn1 ZINC000087864159 185233859 /nfs/dbraw/zinc/23/38/59/185233859.db2.gz KLEYCITUWNMTBD-UHFFFAOYSA-N 1 0 308.183 2.161 10 0 DEAERO Cc1cc(Br)ccc1Nc1cc(NN)[nH+]c(N)n1 ZINC000087885033 185234271 /nfs/dbraw/zinc/23/42/71/185234271.db2.gz SLGHEBLTVHRWIR-UHFFFAOYSA-N 1 0 309.171 2.159 10 0 DEAERO C[NH2+][C@@H]1CCN(c2c(F)cc(Br)cc2F)C1=O ZINC000088171601 185240974 /nfs/dbraw/zinc/24/09/74/185240974.db2.gz HJGSOTXJFZIOOP-SECBINFHSA-N 1 0 305.122 2.052 10 0 DEAERO CC[NH2+][C@H]1CCN(c2c(F)cc(Br)cc2F)C1=O ZINC000088171599 185241040 /nfs/dbraw/zinc/24/10/40/185241040.db2.gz NQYKQIGWQJMQNH-JTQLQIEISA-N 1 0 319.149 2.442 10 0 DEAERO C[NH2+][C@H]1CCN(c2c3nsnc3c(Cl)cc2Cl)C1=O ZINC000088120662 185240040 /nfs/dbraw/zinc/24/00/40/185240040.db2.gz YHYQWJQQHLRPTK-ZETCQYMHSA-N 1 0 317.201 2.323 10 0 DEAERO CC1(C)C[NH2+]CCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000088139397 185240535 /nfs/dbraw/zinc/24/05/35/185240535.db2.gz WPCNHGOZSKILDN-JXMROGBWSA-N 1 0 314.838 2.324 10 0 DEAERO CCO[C@@H](C[NH3+])CS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000088315628 185245173 /nfs/dbraw/zinc/24/51/73/185245173.db2.gz GWXIXRYNBVBWGR-QMMMGPOBSA-N 1 0 312.218 2.131 10 0 DEAERO C[NH2+][C@H]1CCCN(c2cc(OC)ccc2Br)C1=O ZINC000088330710 185246075 /nfs/dbraw/zinc/24/60/75/185246075.db2.gz ADVWEUCDHFBERY-NSHDSACASA-N 1 0 313.195 2.173 10 0 DEAERO Cc1nn(C)c(C)c1Oc1nc2sccn2c1C[C@@H](C)[NH3+] ZINC000088454074 185251771 /nfs/dbraw/zinc/25/17/71/185251771.db2.gz XSLHXHNBTRPRRK-MRVPVSSYSA-N 1 0 305.407 2.428 10 0 DEAERO CC[C@H](C[NH3+])S(=O)(=O)Nc1cccc(O[C@@H](C)CC)c1 ZINC000088473798 185252162 /nfs/dbraw/zinc/25/21/62/185252162.db2.gz NMJPYDVJVFBFSN-SMDDNHRTSA-N 1 0 300.424 2.343 10 0 DEAERO CS(=O)(=O)c1ccc(N2CC[NH2+]CC23CCCCC3)cc1 ZINC000088396716 185248595 /nfs/dbraw/zinc/24/85/95/185248595.db2.gz FJTSVBXDFPYZNN-UHFFFAOYSA-N 1 0 308.447 2.203 10 0 DEAERO CN[C@@](C)(CCC[NH+]1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000088435522 185250244 /nfs/dbraw/zinc/25/02/44/185250244.db2.gz YUSIWYZKKUNAEN-ZDUSSCGKSA-N 1 0 310.360 2.192 10 0 DEAERO CCOC(=O)[C@@](C)(CC[NH+]1CCC(C(F)(F)F)CC1)NC ZINC000088435577 185250281 /nfs/dbraw/zinc/25/02/81/185250281.db2.gz PWBQPYGVZHPVSN-CYBMUJFWSA-N 1 0 310.360 2.192 10 0 DEAERO CC[NH2+][C@@](C)(C[C@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000088435657 185250304 /nfs/dbraw/zinc/25/03/04/185250304.db2.gz IBBHJZFCJKHKCP-GWCFXTLKSA-N 1 0 310.360 2.492 10 0 DEAERO CC[C@H](CC[NH3+])CCC(=O)Nc1cnc(Br)cn1 ZINC000088446401 185251173 /nfs/dbraw/zinc/25/11/73/185251173.db2.gz GEGMWKYLXIFHLM-VIFPVBQESA-N 1 0 315.215 2.333 10 0 DEAERO CC[C@H](C(=O)NCCc1cn(C)c2cc(C)ccc12)[NH+](C)C ZINC000188413370 529607329 /nfs/dbraw/zinc/60/73/29/529607329.db2.gz GXERNXXSHCDJBO-MRXNPFEDSA-N 1 0 301.434 2.486 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@H]2C)o1 ZINC000088541009 185255761 /nfs/dbraw/zinc/25/57/61/185255761.db2.gz DOTPCDUUJKIKJJ-YPMHNXCESA-N 1 0 300.424 2.246 10 0 DEAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)C1 ZINC000088540069 185255838 /nfs/dbraw/zinc/25/58/38/185255838.db2.gz JILGEHQJDXPLLD-VXGBXAGGSA-N 1 0 300.424 2.198 10 0 DEAERO CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H]1C ZINC000088540957 185255944 /nfs/dbraw/zinc/25/59/44/185255944.db2.gz PECFKYFFOMDOGX-YRGRVCCFSA-N 1 0 314.451 2.444 10 0 DEAERO CC(C)(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000088543363 185256261 /nfs/dbraw/zinc/25/62/61/185256261.db2.gz LHNWQAVDDOXMTP-UHFFFAOYSA-N 1 0 300.424 2.342 10 0 DEAERO C[C@H]1CCN(S(=O)(=O)c2ccc(C[NH2+]C(C)(C)C)o2)C1 ZINC000088544035 185256658 /nfs/dbraw/zinc/25/66/58/185256658.db2.gz MAXNOVTYICIYES-NSHDSACASA-N 1 0 300.424 2.198 10 0 DEAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1S(=O)(=O)CCCOC ZINC000081985622 192348796 /nfs/dbraw/zinc/34/87/96/192348796.db2.gz CXMJUGZNMRHXBY-ZIAGYGMSSA-N 1 0 305.484 2.385 10 0 DEAERO CC[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1S(=O)(=O)C(C)C ZINC000081981730 192349046 /nfs/dbraw/zinc/34/90/46/192349046.db2.gz XCCVRXGRRIPGSV-HOTGVXAUSA-N 1 0 311.447 2.484 10 0 DEAERO CC[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C)o2)CC1 ZINC000088551288 185257582 /nfs/dbraw/zinc/25/75/82/185257582.db2.gz SIVHXJSUCUPBNI-LBPRGKRZSA-N 1 0 300.424 2.200 10 0 DEAERO CC[NH2+][C@H](Cc1ncnn1C)c1ccc(Br)cc1 ZINC000088581698 185258579 /nfs/dbraw/zinc/25/85/79/185258579.db2.gz ATQMLOSZCPEXMH-GFCCVEGCSA-N 1 0 309.211 2.471 10 0 DEAERO CCOC(=O)[C@H]1C[NH2+]CCN1[C@@H](C)c1ccc(SC)cc1 ZINC000088657995 185261665 /nfs/dbraw/zinc/26/16/65/185261665.db2.gz OKMGSGSPFZUQDI-SWLSCSKDSA-N 1 0 308.447 2.306 10 0 DEAERO CC[NH+](CC)CCSc1ccc(S(C)(=O)=O)cc1N ZINC000088733693 185263633 /nfs/dbraw/zinc/26/36/33/185263633.db2.gz QVOFXQAIOHZBJT-UHFFFAOYSA-N 1 0 302.465 2.106 10 0 DEAERO CCC[C@@H](C(=O)NCCc1nc2c(s1)CCCC2)[NH+](C)C ZINC000179158727 282216601 /nfs/dbraw/zinc/21/66/01/282216601.db2.gz JFTPTCHJBYCUER-ZDUSSCGKSA-N 1 0 309.479 2.411 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)C1CCOCC1)c1ccc(C)cc1 ZINC000081990068 192350909 /nfs/dbraw/zinc/35/09/09/192350909.db2.gz HUORXLQBCOTQGJ-MRXNPFEDSA-N 1 0 311.447 2.239 10 0 DEAERO C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000081990339 192351103 /nfs/dbraw/zinc/35/11/03/192351103.db2.gz TUIIUCCPSKZASV-BBRMVZONSA-N 1 0 311.447 2.238 10 0 DEAERO CC[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1ccccc1C ZINC000090218948 185286971 /nfs/dbraw/zinc/28/69/71/185286971.db2.gz GFFULYFOYKDRPK-HNNXBMFYSA-N 1 0 305.422 2.285 10 0 DEAERO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000090226383 185287724 /nfs/dbraw/zinc/28/77/24/185287724.db2.gz GRIVLHZKXZPKQR-HOTGVXAUSA-N 1 0 300.406 2.269 10 0 DEAERO C[NH2+][C@H](C[S@](=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000082000993 192353147 /nfs/dbraw/zinc/35/31/47/192353147.db2.gz UDXAHIFXYZRDNW-SPLOXXLWSA-N 1 0 303.383 2.484 10 0 DEAERO CCN(C(=O)c1ccc(Br)c(F)c1)C1C[NH2+]C1 ZINC000090291007 185289521 /nfs/dbraw/zinc/28/95/21/185289521.db2.gz CJWRITWBZIZWCZ-UHFFFAOYSA-N 1 0 301.159 2.022 10 0 DEAERO CCN(C1C[NH2+]C1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000090291339 185289646 /nfs/dbraw/zinc/28/96/46/185289646.db2.gz CVSGBGHXGVEKGF-UHFFFAOYSA-N 1 0 315.247 2.037 10 0 DEAERO COc1ccc(Cl)cc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1(C)C ZINC000090336383 185291544 /nfs/dbraw/zinc/29/15/44/185291544.db2.gz ZSHWIPCHIDBUPA-ZWNOBZJWSA-N 1 0 308.809 2.419 10 0 DEAERO COc1ccc(Cl)cc1C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090336386 185291643 /nfs/dbraw/zinc/29/16/43/185291643.db2.gz ZSHWIPCHIDBUPA-GWCFXTLKSA-N 1 0 308.809 2.419 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000090487252 185298774 /nfs/dbraw/zinc/29/87/74/185298774.db2.gz FXWVFECOSOVMOK-CABZTGNLSA-N 1 0 302.296 2.268 10 0 DEAERO C[C@@H]([NH3+])Cc1cccc(Cl)c1OCC(=O)NCC(F)(F)F ZINC000166234326 197690480 /nfs/dbraw/zinc/69/04/80/197690480.db2.gz SJMMORBLYJDJND-MRVPVSSYSA-N 1 0 324.730 2.287 10 0 DEAERO [NH3+][C@H](C[S@](=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000082003193 192353648 /nfs/dbraw/zinc/35/36/48/192353648.db2.gz PSBLMGVTILAOBQ-LRTDBIEQSA-N 1 0 307.346 2.362 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090590491 185305539 /nfs/dbraw/zinc/30/55/39/185305539.db2.gz RGRYJIDMDZOHIN-GXTWGEPZSA-N 1 0 317.216 2.316 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N1CCSc2ccccc21 ZINC000090543506 185302147 /nfs/dbraw/zinc/30/21/47/185302147.db2.gz AOAXGGSRJOUNJY-OLZOCXBDSA-N 1 0 306.431 2.140 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000090544908 185302174 /nfs/dbraw/zinc/30/21/74/185302174.db2.gz DATDTWSSJWVOIV-MGPQQGTHSA-N 1 0 308.447 2.256 10 0 DEAERO NC(=O)c1cc(Br)cc2c(C3CC[NH2+]CC3)c[nH]c21 ZINC000090548727 185302232 /nfs/dbraw/zinc/30/22/32/185302232.db2.gz CSWUECOTOHLZIU-UHFFFAOYSA-N 1 0 322.206 2.496 10 0 DEAERO C[C@]1(c2nc(-c3cccc(Br)c3)no2)COC[C@@H]1[NH3+] ZINC000090573270 185304411 /nfs/dbraw/zinc/30/44/11/185304411.db2.gz ASBOYPHYQXASTQ-GWCFXTLKSA-N 1 0 324.178 2.114 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CSCC(F)(F)F)[C@H](C)C1 ZINC000090612344 185306706 /nfs/dbraw/zinc/30/67/06/185306706.db2.gz NUZMBXRTSKASAF-MNOVXSKESA-N 1 0 312.401 2.471 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000166810507 197699041 /nfs/dbraw/zinc/69/90/41/197699041.db2.gz PYNOJHWAXUPNSA-OAHLLOKOSA-N 1 0 310.463 2.306 10 0 DEAERO CO[C@H]1CCN(C(=O)c2cc(Cl)cn2C2CC2)[C@H](C[NH3+])C1 ZINC000167246746 197705329 /nfs/dbraw/zinc/70/53/29/197705329.db2.gz WOOOQCGHXYUBQX-STQMWFEESA-N 1 0 311.813 2.055 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000092395140 185315748 /nfs/dbraw/zinc/31/57/48/185315748.db2.gz IIAFRDFKGLQQIO-MFKMUULPSA-N 1 0 322.232 2.340 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@H]1Cc2cc(Br)ccc2O1 ZINC000092400485 185315986 /nfs/dbraw/zinc/31/59/86/185315986.db2.gz GADQDJAYDGDEIV-OLZOCXBDSA-N 1 0 314.223 2.359 10 0 DEAERO COCC[NH2+]CC(=O)Nc1c(C)cc(Br)cc1C ZINC000092495172 185322265 /nfs/dbraw/zinc/32/22/65/185322265.db2.gz HPIBKRCEUMQHPC-UHFFFAOYSA-N 1 0 315.211 2.240 10 0 DEAERO CCN[C@@H]1C(=O)Nc2cc(OCCC[NH+](C)C)c(Cl)cc21 ZINC000092770053 185339567 /nfs/dbraw/zinc/33/95/67/185339567.db2.gz NNOQCNGLJHKKJK-AWEZNQCLSA-N 1 0 311.813 2.273 10 0 DEAERO Cc1ncsc1CCOC[C@H](O)C[NH2+]C1C(C)(C)C1(C)C ZINC000092816898 185343911 /nfs/dbraw/zinc/34/39/11/185343911.db2.gz WCLXMERRRRRZJE-GFCCVEGCSA-N 1 0 312.479 2.396 10 0 DEAERO Cc1c(F)cc(C[NH3+])cc1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833261 185344826 /nfs/dbraw/zinc/34/48/26/185344826.db2.gz ROYPZQWSJJQZOH-UHFFFAOYSA-N 1 0 314.426 2.306 10 0 DEAERO Cc1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)sc1C[NH3+] ZINC000092833315 185345024 /nfs/dbraw/zinc/34/50/24/185345024.db2.gz LEBSHTUDVCNRSH-UHFFFAOYSA-N 1 0 302.465 2.228 10 0 DEAERO [NH3+][C@@H]1CCCO[C@@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000092888732 185348091 /nfs/dbraw/zinc/34/80/91/185348091.db2.gz APIKHXHQYSTUTI-ZYHUDNBSSA-N 1 0 314.179 2.399 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)c1c(C)oc2ccccc21 ZINC000185670481 282264419 /nfs/dbraw/zinc/26/44/19/282264419.db2.gz KGOPIOXTQIHTOF-UHFFFAOYSA-N 1 0 304.390 2.439 10 0 DEAERO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000181406364 199291599 /nfs/dbraw/zinc/29/15/99/199291599.db2.gz BPABCLFDQSBSEG-UONOGXRCSA-N 1 0 320.433 2.213 10 0 DEAERO COC[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(F)c(F)c1 ZINC000181445018 199297290 /nfs/dbraw/zinc/29/72/90/199297290.db2.gz ORFWZVDVNZDUCX-WFASDCNBSA-N 1 0 317.376 2.418 10 0 DEAERO Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(C[NH3+])cc2)o1 ZINC000186453408 282277021 /nfs/dbraw/zinc/27/70/21/282277021.db2.gz WSLHDKXIHNSWFI-HNNXBMFYSA-N 1 0 300.358 2.260 10 0 DEAERO O=S1(=O)CC[C@@H]([NH2+]CC[C@H]2CCCO2)c2cc(F)ccc21 ZINC000038096087 539335692 /nfs/dbraw/zinc/33/56/92/539335692.db2.gz JZAHRYHFZGBOCV-TZMCWYRMSA-N 1 0 313.394 2.203 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2)C12CCC2 ZINC000181615488 199327627 /nfs/dbraw/zinc/32/76/27/199327627.db2.gz IJOCCUDGWNGOLX-JKSUJKDBSA-N 1 0 302.418 2.354 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000187991410 282294672 /nfs/dbraw/zinc/29/46/72/282294672.db2.gz LTNDOLQJPKIOAK-UHFFFAOYSA-N 1 0 311.470 2.460 10 0 DEAERO CCOc1cc([C@@H]2NN=C3CC[NH2+]C[C@H]32)cc(Cl)c1OC ZINC000169966013 197762127 /nfs/dbraw/zinc/76/21/27/197762127.db2.gz BOHAACCWMUQXQE-YGRLFVJLSA-N 1 0 309.797 2.357 10 0 DEAERO CCCC(=O)NCC(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000190569989 282323840 /nfs/dbraw/zinc/32/38/40/282323840.db2.gz KRLPWVAYRIVKSY-UHFFFAOYSA-N 1 0 305.422 2.383 10 0 DEAERO CC(C)[C@H]1C[C@H](NC(=O)N2CCC([NH2+]CC3CC3)CC2)CCO1 ZINC000333580358 282962879 /nfs/dbraw/zinc/96/28/79/282962879.db2.gz NPFRXNBYLACCGN-IAGOWNOFSA-N 1 0 323.481 2.364 10 0 DEAERO CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CC(CO)C1 ZINC000192180140 282337537 /nfs/dbraw/zinc/33/75/37/282337537.db2.gz FOKJVURQPGFETR-UHFFFAOYSA-N 1 0 314.385 2.457 10 0 DEAERO CCc1ccccc1OCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195039757 282367065 /nfs/dbraw/zinc/36/70/65/282367065.db2.gz QXPYQOMOZILBCR-MRXNPFEDSA-N 1 0 302.418 2.325 10 0 DEAERO c1csc(-c2nc(Cn3cc(C[NH2+]C4CC4)nn3)co2)c1 ZINC000090297858 539416375 /nfs/dbraw/zinc/41/63/75/539416375.db2.gz ZPPUYGIWLNXXEH-UHFFFAOYSA-N 1 0 301.375 2.295 10 0 DEAERO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000181737955 199345826 /nfs/dbraw/zinc/34/58/26/199345826.db2.gz OFJUFBAIODQPLQ-ZDUSSCGKSA-N 1 0 321.421 2.218 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)NC[C@]1(C)CCCO1)c1ccccc1 ZINC000153838983 539546919 /nfs/dbraw/zinc/54/69/19/539546919.db2.gz SOUYNRJZKXFAOH-RDJZCZTQSA-N 1 0 305.422 2.158 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C)nn2C)cc1F ZINC000121525521 185813258 /nfs/dbraw/zinc/81/32/58/185813258.db2.gz IKEVHLITHPULCQ-LLVKDONJSA-N 1 0 320.368 2.166 10 0 DEAERO [NH3+][C@@H](CC(=O)NCc1cc(Br)ccc1F)C1CC1 ZINC000123964548 185862051 /nfs/dbraw/zinc/86/20/51/185862051.db2.gz RLEJHUWWCOLOBZ-LBPRGKRZSA-N 1 0 315.186 2.332 10 0 DEAERO CCc1nn(CC)c(CC(=O)[C@H](C)[C@H](C)[NH3+])c1Br ZINC000126558384 185874040 /nfs/dbraw/zinc/87/40/40/185874040.db2.gz HATIEVONBPXKIA-BDAKNGLRSA-N 1 0 316.243 2.323 10 0 DEAERO C[NH2+]C[C@H]1CN(Cc2c(Cl)cc(C)nc2Cl)CCO1 ZINC000126594515 185876893 /nfs/dbraw/zinc/87/68/93/185876893.db2.gz IBKJPGKEZPQKRN-JTQLQIEISA-N 1 0 304.221 2.117 10 0 DEAERO C[C@@H]1CCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@H]1[NH3+] ZINC000070145173 190862192 /nfs/dbraw/zinc/86/21/92/190862192.db2.gz XRCYJKDHCXHEEP-PHDIDXHHSA-N 1 0 308.250 2.191 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC000070120817 190859715 /nfs/dbraw/zinc/85/97/15/190859715.db2.gz SCWFCMRTAFJFCG-LLVKDONJSA-N 1 0 302.827 2.069 10 0 DEAERO CCCCCCOC[C@H](O)C[NH2+]CCOCC(F)(F)F ZINC000070167041 190866194 /nfs/dbraw/zinc/86/61/94/190866194.db2.gz ZMSPYVGOGLDKAT-GFCCVEGCSA-N 1 0 301.349 2.113 10 0 DEAERO OCC1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000167169596 539610425 /nfs/dbraw/zinc/61/04/25/539610425.db2.gz IIZVCKSMZIVZLO-JTQLQIEISA-N 1 0 320.216 2.095 10 0 DEAERO Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3[NH2+]CCc4ccccc43)C2)c1 ZINC000168369786 539611875 /nfs/dbraw/zinc/61/18/75/539611875.db2.gz NFMPQXFNAWUQEQ-AEFFLSMTSA-N 1 0 324.428 2.242 10 0 DEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1CCO ZINC000616637149 362902236 /nfs/dbraw/zinc/90/22/36/362902236.db2.gz ULUNFTDZUOCIDJ-OAHLLOKOSA-N 1 0 306.406 2.103 10 0 DEAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]2COCCN2CC[NH3+])cc1 ZINC000616640742 362903137 /nfs/dbraw/zinc/90/31/37/362903137.db2.gz MMCORMQIESCAMP-HNNXBMFYSA-N 1 0 321.421 2.366 10 0 DEAERO c1cc(C[NH+]2CCC(Cn3ccnn3)CC2)n(-c2ccccc2)n1 ZINC000279870825 215195243 /nfs/dbraw/zinc/19/52/43/215195243.db2.gz QQYQCQQQFPAHBI-UHFFFAOYSA-N 1 0 322.416 2.376 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cnc(C2CC2)nc1 ZINC000176344941 539626950 /nfs/dbraw/zinc/62/69/50/539626950.db2.gz DYNODZJIEBYSQR-AWEZNQCLSA-N 1 0 303.410 2.302 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)c2cnn3c2CCCC3)CC1 ZINC000127022767 185913336 /nfs/dbraw/zinc/91/33/36/185913336.db2.gz HRHLQYUTEPDTCE-UHFFFAOYSA-N 1 0 304.438 2.212 10 0 DEAERO COc1ncccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000179266379 539639701 /nfs/dbraw/zinc/63/97/01/539639701.db2.gz YTFNPFUFNDPCEH-CYBMUJFWSA-N 1 0 306.410 2.332 10 0 DEAERO [NH3+][C@@H]1CCCN(c2cc(-c3nc(-c4ccccn4)no3)ccn2)C1 ZINC000070458213 190897638 /nfs/dbraw/zinc/89/76/38/190897638.db2.gz NKBZCIVVGLHMNC-CYBMUJFWSA-N 1 0 322.372 2.121 10 0 DEAERO OCC[C@@]1(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CCOC1 ZINC000182122646 539654812 /nfs/dbraw/zinc/65/48/12/539654812.db2.gz KTSGUZIPCCLMJK-WBVHZDCISA-N 1 0 309.381 2.418 10 0 DEAERO CCC[NH2+][C@@](CO)(CN(C)CC(F)(F)F)c1ccccc1 ZINC000070513652 190903483 /nfs/dbraw/zinc/90/34/83/190903483.db2.gz RTMPOJRUQMRTMU-CQSZACIVSA-N 1 0 304.356 2.368 10 0 DEAERO C[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)[C@@H]1CCCO1 ZINC000183127023 539659366 /nfs/dbraw/zinc/65/93/66/539659366.db2.gz FECXZVPHSQGCSQ-KOLCDFICSA-N 1 0 319.430 2.130 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(F)c3)C2=O)n(C)n1 ZINC000080526956 192165241 /nfs/dbraw/zinc/16/52/41/192165241.db2.gz SPFZFCDBQTUAOJ-OAHLLOKOSA-N 1 0 316.380 2.153 10 0 DEAERO CNC(=O)[C@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)cc1)C(C)C ZINC000183653221 539663521 /nfs/dbraw/zinc/66/35/21/539663521.db2.gz YHJPFLVREHCCPU-QGZVFWFLSA-N 1 0 314.433 2.349 10 0 DEAERO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C(=O)NC)C(C)C)cc1 ZINC000183663644 539663545 /nfs/dbraw/zinc/66/35/45/539663545.db2.gz VFVABLREGXZSQR-SUMWQHHRSA-N 1 0 319.449 2.499 10 0 DEAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1cccc(C(C)C)c1)C(C)C ZINC000183662409 539663757 /nfs/dbraw/zinc/66/37/57/539663757.db2.gz OSORJOGVHJRAOR-MRXNPFEDSA-N 1 0 305.422 2.109 10 0 DEAERO C[C@@H](CC[NH3+])C(=O)Nc1cc(Br)ccc1N(C)C ZINC000130131981 185939462 /nfs/dbraw/zinc/93/94/62/185939462.db2.gz SETBJOPADXTVPS-VIFPVBQESA-N 1 0 314.227 2.439 10 0 DEAERO C[C@H](C(=O)Nc1c(F)cccc1F)N1CCC([NH+](C)C)CC1 ZINC000193822334 539715008 /nfs/dbraw/zinc/71/50/08/539715008.db2.gz DJFCUJSRPFVLEB-LLVKDONJSA-N 1 0 311.376 2.318 10 0 DEAERO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC([NH+](C)C)CC1 ZINC000193815256 539715610 /nfs/dbraw/zinc/71/56/10/539715610.db2.gz VNYBLORZUIMANK-CYBMUJFWSA-N 1 0 323.868 2.371 10 0 DEAERO CCC[NH2+][C@H]1CCC(C)(C)C[C@H]1CN1CCS(=O)CC1 ZINC000083751729 192381409 /nfs/dbraw/zinc/38/14/09/192381409.db2.gz OEMXMJNHLDSODS-GJZGRUSLSA-N 1 0 300.512 2.245 10 0 DEAERO CCOc1ccccc1[C@H](C[S@@](=O)C1CCOCC1)[NH2+]C ZINC000084055009 192397243 /nfs/dbraw/zinc/39/72/43/192397243.db2.gz KDCGNEXOMKOBJV-BTYIYWSLSA-N 1 0 311.447 2.274 10 0 DEAERO CN1C[C@H]([NH2+]Cc2cc(Br)ccc2F)CCC1=O ZINC000084059743 192397665 /nfs/dbraw/zinc/39/76/65/192397665.db2.gz FGHJKZBGCNTZNJ-LLVKDONJSA-N 1 0 315.186 2.299 10 0 DEAERO [NH3+][C@H](C[S@](=O)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000084001289 192394927 /nfs/dbraw/zinc/39/49/27/192394927.db2.gz BRLNHKWOLWZPJZ-XUSGNXJCSA-N 1 0 307.346 2.362 10 0 DEAERO COc1ccc(C[C@H]2C[NH2+]CCN2C(=O)OC(C)(C)C)cc1 ZINC000071661992 191000010 /nfs/dbraw/zinc/00/00/10/191000010.db2.gz PDKTXGKCRUXQNR-AWEZNQCLSA-N 1 0 306.406 2.447 10 0 DEAERO CC[NH+](CC)CCCCN(C[C@@H](C)C(=O)OC)C(=O)C1CC1 ZINC000071604749 190991994 /nfs/dbraw/zinc/99/19/94/190991994.db2.gz HNXNCNFQVHPLTH-CQSZACIVSA-N 1 0 312.454 2.156 10 0 DEAERO COc1cccc2c1CN(Cc1ccc3c(c1)OCO3)[C@@H]2C[NH3+] ZINC000071683156 191006962 /nfs/dbraw/zinc/00/69/62/191006962.db2.gz MVXYVOJOTXUCMC-OAHLLOKOSA-N 1 0 312.369 2.440 10 0 DEAERO C[C@H]([NH3+])c1nc(CC(=O)Nc2ccc3n[nH]cc3c2)cs1 ZINC000071695410 191008823 /nfs/dbraw/zinc/00/88/23/191008823.db2.gz YWOCIBBGLAXDIF-QMMMGPOBSA-N 1 0 301.375 2.220 10 0 DEAERO Cn1ccnc1CN1Cc2ccc(C(F)(F)F)cc2[C@@H]1C[NH3+] ZINC000071684068 191008921 /nfs/dbraw/zinc/00/89/21/191008921.db2.gz WJZAVCDGMSAPKL-ZDUSSCGKSA-N 1 0 310.323 2.455 10 0 DEAERO OCCNc1ncnc2ccc(-c3cccc4c3CC[NH2+]C4)cc21 ZINC000071759062 191026450 /nfs/dbraw/zinc/02/64/50/191026450.db2.gz OMBQVNXFCUDPRP-UHFFFAOYSA-N 1 0 320.396 2.347 10 0 DEAERO CCCCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000080599493 192172081 /nfs/dbraw/zinc/17/20/81/192172081.db2.gz URUNRQKOEHXYNB-UHFFFAOYSA-N 1 0 310.486 2.036 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c(-c3cccc(C[NH3+])c3)nc21 ZINC000138155956 186014226 /nfs/dbraw/zinc/01/42/26/186014226.db2.gz NKPGNZXJIYMMSN-UHFFFAOYSA-N 1 0 301.371 2.092 10 0 DEAERO CC(C)(CC[NH3+])CCc1nc2c(cccc2S(C)(=O)=O)[nH]1 ZINC000138147433 186014303 /nfs/dbraw/zinc/01/43/03/186014303.db2.gz BZPOGIWUQJVSTR-UHFFFAOYSA-N 1 0 309.435 2.274 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C[C@@H]1C ZINC000139334218 186021920 /nfs/dbraw/zinc/02/19/20/186021920.db2.gz FLAPVCMRNNHYGL-ZJUUUORDSA-N 1 0 318.389 2.090 10 0 DEAERO C[C@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ncc[nH]1 ZINC000139457115 186022067 /nfs/dbraw/zinc/02/20/67/186022067.db2.gz ASNUFTMHZTYVSB-LURJTMIESA-N 1 0 321.189 2.151 10 0 DEAERO CCNS(=O)(=O)c1ccc(Nc2ccc(C[NH3+])cc2)cc1 ZINC000139620763 186023175 /nfs/dbraw/zinc/02/31/75/186023175.db2.gz LWPWKIOPTJJMML-UHFFFAOYSA-N 1 0 305.403 2.187 10 0 DEAERO CCC[NH2+][C@@H](Cc1cccs1)C[C@H]1CCS(=O)(=O)C1 ZINC000142442854 186032431 /nfs/dbraw/zinc/03/24/31/186032431.db2.gz HVKAZVFDMIBWPO-CHWSQXEVSA-N 1 0 301.477 2.484 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)CC2(C[NH3+])CCC2)c1 ZINC000147709198 186041598 /nfs/dbraw/zinc/04/15/98/186041598.db2.gz YVHPPYSKNQWRJQ-UHFFFAOYSA-N 1 0 309.797 2.157 10 0 DEAERO CCC[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)c3ccccc32)C1 ZINC000147875728 186041987 /nfs/dbraw/zinc/04/19/87/186041987.db2.gz OHOXMUGKZCCHMM-CJNGLKHVSA-N 1 0 309.431 2.238 10 0 DEAERO Cc1c(F)cc(C[NH2+]C(C)C)cc1S(=O)(=O)NCC(F)F ZINC000148185045 186043737 /nfs/dbraw/zinc/04/37/37/186043737.db2.gz GFYCZPNOPAHUDM-UHFFFAOYSA-N 1 0 324.368 2.176 10 0 DEAERO Cc1c(C[NH2+]C(C)C)cccc1S(=O)(=O)NCC(F)F ZINC000148191261 186044062 /nfs/dbraw/zinc/04/40/62/186044062.db2.gz YEVCKTDUBQQRIV-UHFFFAOYSA-N 1 0 306.378 2.036 10 0 DEAERO CC(C)[N@@H+]1CC[C@@H](CN2C(=O)[C@H](C)N[C@H]2c2ccsc2)C1 ZINC000143201984 186033771 /nfs/dbraw/zinc/03/37/71/186033771.db2.gz CBYBSDPRSRQFGX-GZBFAFLISA-N 1 0 307.463 2.297 10 0 DEAERO C[C@H](OCC1CC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248142814 539772587 /nfs/dbraw/zinc/77/25/87/539772587.db2.gz YYOXJJPNVVUKSO-XKQJLSEDSA-N 1 0 302.418 2.363 10 0 DEAERO CC(C)[NH2+]Cc1ccc(CS(=O)(=O)N(C)C2CCC2)cc1 ZINC000144622478 186035565 /nfs/dbraw/zinc/03/55/65/186035565.db2.gz ILEGQMSOARVEFM-UHFFFAOYSA-N 1 0 310.463 2.499 10 0 DEAERO C[C@@H](O)C(C)(C)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000145027858 186036710 /nfs/dbraw/zinc/03/67/10/186036710.db2.gz NHZJMVVKZBCDOX-NXEZZACHSA-N 1 0 322.232 2.482 10 0 DEAERO CC(C)[C@@H](C[NH+](C)C)N1C(=O)C2(CC2)N[C@@H]1c1ccsc1 ZINC000145035481 186036750 /nfs/dbraw/zinc/03/67/50/186036750.db2.gz FGMZJLZRFHTVOP-KGLIPLIRSA-N 1 0 307.463 2.297 10 0 DEAERO C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000145758846 186038064 /nfs/dbraw/zinc/03/80/64/186038064.db2.gz RVCBMGPBYFICHP-OAHLLOKOSA-N 1 0 313.445 2.134 10 0 DEAERO Cc1ccc(OC[C@@H](O)CN2CCC[N@@H+](C3CC3)CC2)c(C)c1 ZINC000145738512 186038102 /nfs/dbraw/zinc/03/81/02/186038102.db2.gz LUSXVXIENSNWDS-SFHVURJKSA-N 1 0 318.461 2.213 10 0 DEAERO C[NH2+][C@H](c1sccc1Br)[C@H]1CN(C)CCN1C ZINC000147281287 186038931 /nfs/dbraw/zinc/03/89/31/186038931.db2.gz FRNOPSWSOPRHKR-MNOVXSKESA-N 1 0 318.284 2.017 10 0 DEAERO [NH3+][C@H](c1sccc1Br)[C@H]1CN2CCC[C@@H]2CO1 ZINC000147274223 186039064 /nfs/dbraw/zinc/03/90/64/186039064.db2.gz DLTZADOBQMPTED-IEBDPFPHSA-N 1 0 317.252 2.374 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC(C)(C)C2)o1 ZINC000149311428 186049301 /nfs/dbraw/zinc/04/93/01/186049301.db2.gz IPEONYVEFKGNKW-LLVKDONJSA-N 1 0 300.424 2.246 10 0 DEAERO CC[NH2+][C@H](c1ccc2cccnc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000150124085 186055159 /nfs/dbraw/zinc/05/51/59/186055159.db2.gz LTWLFHXRGGNUNS-GDBMZVCRSA-N 1 0 304.415 2.320 10 0 DEAERO C[C@H](O)[C@@](C[NH3+])(Cc1cn2ccsc2n1)c1ccccc1 ZINC000149588478 186052035 /nfs/dbraw/zinc/05/20/35/186052035.db2.gz UVGUAZDFCLVMAZ-LRDDRELGSA-N 1 0 301.415 2.216 10 0 DEAERO C[C@H](CC(=O)NC[C@H](O)c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000262629038 282676152 /nfs/dbraw/zinc/67/61/52/282676152.db2.gz VAYZXEAZUNBNDL-INWMFGNUSA-N 1 0 308.397 2.001 10 0 DEAERO CCNc1nc(Cl)nc(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000149956416 186053486 /nfs/dbraw/zinc/05/34/86/186053486.db2.gz NXGRRTLICGCQFM-NSHDSACASA-N 1 0 310.833 2.021 10 0 DEAERO CC1(C)CCC[C@@H](NS(=O)(=O)c2ccc(C[NH3+])s2)C1 ZINC000150072198 186054126 /nfs/dbraw/zinc/05/41/26/186054126.db2.gz ZRVWLVMTUGVSFA-SNVBAGLBSA-N 1 0 302.465 2.454 10 0 DEAERO CC[NH2+][C@@H](c1cccc2cnccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000150169707 186055431 /nfs/dbraw/zinc/05/54/31/186055431.db2.gz OEDJMJSBVKCCJY-CZUORRHYSA-N 1 0 304.415 2.320 10 0 DEAERO CCC[NH2+][C@H](Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000150186331 186055662 /nfs/dbraw/zinc/05/56/62/186055662.db2.gz YYWDIRBHBXIFII-CHWSQXEVSA-N 1 0 316.492 2.105 10 0 DEAERO Cc1cccc(NC(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150757722 186064196 /nfs/dbraw/zinc/06/41/96/186064196.db2.gz AMUHBKPQTREANM-INIZCTEOSA-N 1 0 301.434 2.351 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2C)[NH+](C)C ZINC000152618908 186090559 /nfs/dbraw/zinc/09/05/59/186090559.db2.gz JGYIEGDFWSXCBW-OAHLLOKOSA-N 1 0 303.406 2.264 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(N(C)C)n1 ZINC000152669644 186095695 /nfs/dbraw/zinc/09/56/95/186095695.db2.gz QQUKWUWBFRGLIZ-CYBMUJFWSA-N 1 0 305.426 2.096 10 0 DEAERO CCc1noc(C)c1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000155719202 186106421 /nfs/dbraw/zinc/10/64/21/186106421.db2.gz KIONYBOSFNCFJD-JSGCOSHPSA-N 1 0 306.410 2.493 10 0 DEAERO CC(=O)Nc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1F ZINC000155719017 186106500 /nfs/dbraw/zinc/10/65/00/186106500.db2.gz PTCVXUHACYXVSP-ZBEGNZNMSA-N 1 0 321.396 2.243 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)c(OCC[NH+](C)C)c1 ZINC000155825757 186115970 /nfs/dbraw/zinc/11/59/70/186115970.db2.gz ZVKJEYNVKNBILQ-DZGCQCFKSA-N 1 0 306.406 2.441 10 0 DEAERO Brc1cnccc1NCCCOC1CC[NH2+]CC1 ZINC000163949858 186143520 /nfs/dbraw/zinc/14/35/20/186143520.db2.gz PRHXZWJCPFMVCY-UHFFFAOYSA-N 1 0 314.227 2.415 10 0 DEAERO CC(C(=O)Nc1ccc(OCC(F)(F)F)cc1)=C1C[NH2+]C1 ZINC000163976815 186144136 /nfs/dbraw/zinc/14/41/36/186144136.db2.gz PKJGRJRDHANGNW-UHFFFAOYSA-N 1 0 300.280 2.486 10 0 DEAERO COCCN(C)[C@H](C[NH3+])c1ccc(C)cc1Br ZINC000164068913 186147708 /nfs/dbraw/zinc/14/77/08/186147708.db2.gz LXPQKQNTGXWCPR-CYBMUJFWSA-N 1 0 301.228 2.336 10 0 DEAERO CCOc1cccnc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000164108291 186149033 /nfs/dbraw/zinc/14/90/33/186149033.db2.gz DOHPOZZNTVFXNK-ZIAGYGMSSA-N 1 0 303.406 2.037 10 0 DEAERO C[C@H]1C[C@H](Nc2cc(-n3cnnn3)ccc2Cl)CC[N@@H+]1C ZINC000155911690 186122666 /nfs/dbraw/zinc/12/26/66/186122666.db2.gz GZRJLLKQOFUPRL-WDEREUQCSA-N 1 0 306.801 2.210 10 0 DEAERO O=C(Nc1cccc(C(F)(F)F)c1)OC[C@@H]1C[NH2+]CCO1 ZINC000164132850 186149917 /nfs/dbraw/zinc/14/99/17/186149917.db2.gz JGUOWBYQYQMUHQ-NSHDSACASA-N 1 0 304.268 2.242 10 0 DEAERO COCC[N@H+](C)CCNc1ncc(Cl)cc1Br ZINC000159591091 186129710 /nfs/dbraw/zinc/12/97/10/186129710.db2.gz QRVPMINHVOLEOK-UHFFFAOYSA-N 1 0 322.634 2.488 10 0 DEAERO CN1CCN(Nc2[nH+]cc(Cl)cc2Br)CC1 ZINC000159622315 186131171 /nfs/dbraw/zinc/13/11/71/186131171.db2.gz VEORDOUYBYMMPF-UHFFFAOYSA-N 1 0 305.607 2.072 10 0 DEAERO CN1C(=O)CC[C@@H]([NH2+]Cc2c[nH]c3cc(Cl)ccc23)C1=O ZINC000163890754 186141397 /nfs/dbraw/zinc/14/13/97/186141397.db2.gz BSEGBKFFWQLSFE-GFCCVEGCSA-N 1 0 305.765 2.058 10 0 DEAERO CCC(CC)(C[NH2+]C(C)C)CN1C[C@H](CO)OC(C)(C)C1 ZINC000163934942 186142789 /nfs/dbraw/zinc/14/27/89/186142789.db2.gz ZHFNWWMNOMITAP-OAHLLOKOSA-N 1 0 300.487 2.263 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@@](C)([NH3+])C1CC1 ZINC000164149746 186150445 /nfs/dbraw/zinc/15/04/45/186150445.db2.gz KNCJPCYGMONDAA-LBPRGKRZSA-N 1 0 300.200 2.366 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@H](C[NH3+])C(C)C ZINC000164292866 186155348 /nfs/dbraw/zinc/15/53/48/186155348.db2.gz LMVUPHOXJAUNAO-SECBINFHSA-N 1 0 302.216 2.469 10 0 DEAERO CCOC(=O)[C@@H](C(=O)N[C@H](C)C[NH+](CC)CC)C(C)(C)C ZINC000164322637 186156192 /nfs/dbraw/zinc/15/61/92/186156192.db2.gz HSWKOFQDMLSMQS-CHWSQXEVSA-N 1 0 300.443 2.058 10 0 DEAERO Cc1ccc([C@@H](O)[C@]2(C[NH3+])CCOC2)c(Br)c1 ZINC000164349097 186156363 /nfs/dbraw/zinc/15/63/63/186156363.db2.gz WXMDFDDFQRAOOB-OLZOCXBDSA-N 1 0 300.196 2.156 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000164367123 186157346 /nfs/dbraw/zinc/15/73/46/186157346.db2.gz IOCRIFOCIRIODZ-PSASIEDQSA-N 1 0 300.200 2.366 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000187986169 186239924 /nfs/dbraw/zinc/23/99/24/186239924.db2.gz RITRSWGOAJJBJM-YVEFUNNKSA-N 1 0 323.412 2.219 10 0 DEAERO CC(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000194280528 186276161 /nfs/dbraw/zinc/27/61/61/186276161.db2.gz SYAOSWCTFIPHRU-PVAVHDDUSA-N 1 0 315.417 2.182 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2cnc(-c3ccco3)s2)CCO1 ZINC000194295428 186277915 /nfs/dbraw/zinc/27/79/15/186277915.db2.gz NHRKACYOUSFGCL-GFCCVEGCSA-N 1 0 307.419 2.166 10 0 DEAERO CC(=O)[C@](C)(O)C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626007767 366002090 /nfs/dbraw/zinc/00/20/90/366002090.db2.gz UAGLWGOOFJKXIS-CQSZACIVSA-N 1 0 301.308 2.404 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2ccc(F)cc21 ZINC000171908471 198006362 /nfs/dbraw/zinc/00/63/62/198006362.db2.gz BVEAILVXJRXDGB-HNNXBMFYSA-N 1 0 321.396 2.009 10 0 DEAERO [NH3+]CC[C@H]1CCCN(C(=O)c2coc(Br)c2)C1 ZINC000282098118 539819495 /nfs/dbraw/zinc/81/94/95/539819495.db2.gz ZEINFKUVZFOCPH-SECBINFHSA-N 1 0 301.184 2.243 10 0 DEAERO COC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000172261503 198067481 /nfs/dbraw/zinc/06/74/81/198067481.db2.gz ZXGCBUDJZANCDI-OIISXLGYSA-N 1 0 317.433 2.252 10 0 DEAERO C[C@](CO)([NH2+]C[C@H](O)COCc1ccccc1)C1CCCCC1 ZINC000172552400 198113966 /nfs/dbraw/zinc/11/39/66/198113966.db2.gz BZSDQOOHYONRLK-RBUKOAKNSA-N 1 0 321.461 2.485 10 0 DEAERO Cc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000072556854 191194056 /nfs/dbraw/zinc/19/40/56/191194056.db2.gz DBXLGMGQCSZMEQ-UHFFFAOYSA-N 1 0 317.433 2.124 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309734076 539878292 /nfs/dbraw/zinc/87/82/92/539878292.db2.gz TUGATPWWYKYRLS-HKUYNNGSSA-N 1 0 315.461 2.096 10 0 DEAERO Cc1nc(C)c(C[N@@H+]2CCCN(c3cccnn3)CC2)s1 ZINC000172789938 198150191 /nfs/dbraw/zinc/15/01/91/198150191.db2.gz HDDDIMBPXTXFMR-UHFFFAOYSA-N 1 0 303.435 2.262 10 0 DEAERO C[C@@H](C(=O)NCc1ccccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172803059 198150961 /nfs/dbraw/zinc/15/09/61/198150961.db2.gz QKEKFJKKRVZJIO-GOEBONIOSA-N 1 0 319.424 2.001 10 0 DEAERO COc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000172801940 198151018 /nfs/dbraw/zinc/15/10/18/198151018.db2.gz DWXUAUKHLIDGRR-GDBMZVCRSA-N 1 0 317.433 2.192 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172806188 198151859 /nfs/dbraw/zinc/15/18/59/198151859.db2.gz FIRWXVJIBFYOIM-DJIMGWMZSA-N 1 0 315.417 2.180 10 0 DEAERO CC[N@H+](CCNC(=O)c1cnc(-c2ccncc2)s1)C1CC1 ZINC000172899613 198165822 /nfs/dbraw/zinc/16/58/22/198165822.db2.gz CIIPZXBHCGPQAR-UHFFFAOYSA-N 1 0 316.430 2.419 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000332833434 539941474 /nfs/dbraw/zinc/94/14/74/539941474.db2.gz GOWRZUBKAZHIKO-MJBXVCDLSA-N 1 0 306.410 2.312 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)Nc2nc3c(s2)COCC3)CC[N@@H+]1C ZINC000173241782 198199691 /nfs/dbraw/zinc/19/96/91/198199691.db2.gz AIFWJLKJJIQWKO-WDEREUQCSA-N 1 0 324.450 2.162 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000173270836 198204977 /nfs/dbraw/zinc/20/49/77/198204977.db2.gz VZKZPPKNXXRKQQ-WCQYABFASA-N 1 0 316.854 2.443 10 0 DEAERO Cc1ccccc1NC(=O)CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000173365796 198207698 /nfs/dbraw/zinc/20/76/98/198207698.db2.gz MTDACKRIMSZIRE-HOTGVXAUSA-N 1 0 301.434 2.492 10 0 DEAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CC2(C1)CCCOC2 ZINC000333259672 539953335 /nfs/dbraw/zinc/95/33/35/539953335.db2.gz DRFVGZCTLABEGP-UHFFFAOYSA-N 1 0 319.380 2.116 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000173277232 198205348 /nfs/dbraw/zinc/20/53/48/198205348.db2.gz KZKFUADGQFOWSG-OLZOCXBDSA-N 1 0 314.426 2.237 10 0 DEAERO COc1cc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)ccc1Cl ZINC000333302871 539955270 /nfs/dbraw/zinc/95/52/70/539955270.db2.gz KNOSHCOFVXLKPN-QWRGUYRKSA-N 1 0 309.797 2.422 10 0 DEAERO Cc1cccc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000333175731 539950611 /nfs/dbraw/zinc/95/06/11/539950611.db2.gz QWPCXWRKVSVBRH-GOEBONIOSA-N 1 0 318.421 2.140 10 0 DEAERO COc1ccccc1CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173425756 198213834 /nfs/dbraw/zinc/21/38/34/198213834.db2.gz RWSHTTBZGBBIDG-GOEBONIOSA-N 1 0 319.449 2.362 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(OC(C)C)cc2)CC1 ZINC000174094130 198291561 /nfs/dbraw/zinc/29/15/61/198291561.db2.gz SMBOQFOPVUIABR-QGZVFWFLSA-N 1 0 306.450 2.362 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000174112993 198293340 /nfs/dbraw/zinc/29/33/40/198293340.db2.gz RNWFDOSZCIKUOW-GXTWGEPZSA-N 1 0 319.405 2.404 10 0 DEAERO CC[C@H]1CN(C(=O)Cc2cc(C)ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174638119 198363407 /nfs/dbraw/zinc/36/34/07/198363407.db2.gz JULMHHKUVQQMID-AEFFLSMTSA-N 1 0 318.461 2.150 10 0 DEAERO C=C/C(C)=C\CC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617703865 363227395 /nfs/dbraw/zinc/22/73/95/363227395.db2.gz QEIXTKWTQGMQLL-XTQXNGTCSA-N 1 0 314.429 2.392 10 0 DEAERO COc1cccc(NC(=O)CCN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000174788893 198385261 /nfs/dbraw/zinc/38/52/61/198385261.db2.gz OILFLNJJMAEPBI-GOEBONIOSA-N 1 0 317.433 2.192 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)N(C)Cc2cccs2)CC[N@@H+]1C ZINC000174873786 198396260 /nfs/dbraw/zinc/39/62/60/198396260.db2.gz OHAJSQFTGCSGIE-KGLIPLIRSA-N 1 0 309.479 2.121 10 0 DEAERO CC1(C)CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CC[NH2+]1 ZINC000175427997 198473318 /nfs/dbraw/zinc/47/33/18/198473318.db2.gz FMXOWZCQZQXNBX-UHFFFAOYSA-N 1 0 318.808 2.350 10 0 DEAERO O=C(c1csc(Br)c1)N1CC[NH+]2CCC1CC2 ZINC000038420674 354167199 /nfs/dbraw/zinc/16/71/99/354167199.db2.gz DNQWTTQUOXMVJD-UHFFFAOYSA-N 1 0 315.236 2.431 10 0 DEAERO CC[NH+](CC)CCCNC(=O)NCc1ccc(C(=O)OC)cc1 ZINC000036754342 354164979 /nfs/dbraw/zinc/16/49/79/354164979.db2.gz ZJTJSHJGSGUYGH-UHFFFAOYSA-N 1 0 321.421 2.004 10 0 DEAERO CC(C)(C)NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000050275607 354369207 /nfs/dbraw/zinc/36/92/07/354369207.db2.gz DUPGGUWPKIXJTG-UHFFFAOYSA-N 1 0 323.481 2.016 10 0 DEAERO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000054147900 354454773 /nfs/dbraw/zinc/45/47/73/354454773.db2.gz LZECXEYYWQUAEM-BLLLJJGKSA-N 1 0 315.417 2.105 10 0 DEAERO CCC[C@@H](C)C[NH2+]CCOc1ccc(NS(C)(=O)=O)cc1 ZINC000182682437 199474719 /nfs/dbraw/zinc/47/47/19/199474719.db2.gz XODKLSPORFNPDI-CYBMUJFWSA-N 1 0 314.451 2.463 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CNc3ccnn3C2)cc1F ZINC000058305869 354589626 /nfs/dbraw/zinc/58/96/26/354589626.db2.gz MLHUHLFIVJIQHV-VXGBXAGGSA-N 1 0 304.369 2.423 10 0 DEAERO O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)N1CCOCC1 ZINC000073369008 191309349 /nfs/dbraw/zinc/30/93/49/191309349.db2.gz GFPMSIFADXDHDX-CQSZACIVSA-N 1 0 324.371 2.036 10 0 DEAERO COC(=O)c1ccc(N[C@H]2CCC[N@@H+](C3CCCCC3)C2)nn1 ZINC000068768213 354830227 /nfs/dbraw/zinc/83/02/27/354830227.db2.gz QYYUYFNMQHNOMU-ZDUSSCGKSA-N 1 0 318.421 2.472 10 0 DEAERO CN(CC1C[NH+](C)C1)C(=O)c1ccc(F)c(Br)c1 ZINC000618192950 363410389 /nfs/dbraw/zinc/41/03/89/363410389.db2.gz DFYPOBLDXRKTDJ-UHFFFAOYSA-N 1 0 315.186 2.222 10 0 DEAERO COC(=O)CCCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000070884859 354889425 /nfs/dbraw/zinc/88/94/25/354889425.db2.gz NBEAIADLSCDQCZ-MRXNPFEDSA-N 1 0 318.417 2.111 10 0 DEAERO CCCN(C[C@H]1CCCCO1)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000074493011 355032549 /nfs/dbraw/zinc/03/25/49/355032549.db2.gz ATNMSHZLEDWKNC-JKSUJKDBSA-N 1 0 311.470 2.461 10 0 DEAERO CC(C)[C@H](CNC(=O)N1C[C@H](C)CC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000073595936 191329342 /nfs/dbraw/zinc/32/93/42/191329342.db2.gz SOBUKNBSWJFJLS-IKGGRYGDSA-N 1 0 324.513 2.088 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)CCc1cccn1C ZINC000073654636 191336887 /nfs/dbraw/zinc/33/68/87/191336887.db2.gz ZMIBQVDUJILEOT-GJZGRUSLSA-N 1 0 308.470 2.376 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000380307160 540122301 /nfs/dbraw/zinc/12/23/01/540122301.db2.gz JGVGZAXCGDBZLU-MWLCHTKSSA-N 1 0 304.362 2.172 10 0 DEAERO C[C@H](C1CC1)[NH+]1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000074884367 191379666 /nfs/dbraw/zinc/37/96/66/191379666.db2.gz PYTPLBAPRODQCW-CQSZACIVSA-N 1 0 301.434 2.309 10 0 DEAERO C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000079653082 355322847 /nfs/dbraw/zinc/32/28/47/355322847.db2.gz PCYNYYQFTKHMIB-RCBQFDQVSA-N 1 0 323.412 2.295 10 0 DEAERO C[C@H](NCc1nn(C)cc1Br)C1CC[NH+](C)CC1 ZINC000393346295 540137365 /nfs/dbraw/zinc/13/73/65/540137365.db2.gz CNGQBZGEVMPKCM-JTQLQIEISA-N 1 0 315.259 2.003 10 0 DEAERO Brc1ccc(-n2cc([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000404846735 540146915 /nfs/dbraw/zinc/14/69/15/540146915.db2.gz MWLOBPVDQFIEEQ-JTQLQIEISA-N 1 0 307.195 2.497 10 0 DEAERO O=C1CCCN1C[C@@H](O)C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000111685086 355749143 /nfs/dbraw/zinc/74/91/43/355749143.db2.gz JOUDVXZRCLPXHF-SFHVURJKSA-N 1 0 316.445 2.272 10 0 DEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000113266921 355758420 /nfs/dbraw/zinc/75/84/20/355758420.db2.gz ONGXDSYUVRSQCS-SNVBAGLBSA-N 1 0 319.268 2.321 10 0 DEAERO C[NH+]1CCN(c2cc(C(=O)NCCCC(C)(C)C)ccn2)CC1 ZINC000126338304 355816637 /nfs/dbraw/zinc/81/66/37/355816637.db2.gz ROTFRSCYISMMGO-UHFFFAOYSA-N 1 0 318.465 2.390 10 0 DEAERO C[C@H](NC(=O)CCc1ccnn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000131711647 355848936 /nfs/dbraw/zinc/84/89/36/355848936.db2.gz RWCQYVHITCUTQP-GJZGRUSLSA-N 1 0 318.465 2.122 10 0 DEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000134437472 355859970 /nfs/dbraw/zinc/85/99/70/355859970.db2.gz KYTVWUARUBHPBG-AWEZNQCLSA-N 1 0 300.349 2.098 10 0 DEAERO CC[C@@H](CCO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000134400086 355860079 /nfs/dbraw/zinc/86/00/79/355860079.db2.gz DKHYNQATCBBSJB-WDEREUQCSA-N 1 0 322.232 2.484 10 0 DEAERO C[C@H](C[NH3+])SCC(=O)Nc1ccccc1Br ZINC000085306152 192488806 /nfs/dbraw/zinc/48/88/06/192488806.db2.gz FZVQXKWPTGQLFX-MRVPVSSYSA-N 1 0 303.225 2.468 10 0 DEAERO Cc1ccc(C[C@H](C)[N@H+](C)CC(=O)NC2CCOCC2)cc1 ZINC000156904243 355953851 /nfs/dbraw/zinc/95/38/51/355953851.db2.gz FRGVCTBGLZGCOT-HNNXBMFYSA-N 1 0 304.434 2.153 10 0 DEAERO COc1ccc(OC(F)F)c(NC(=O)[C@@]2(C)CCC[NH2+]2)c1 ZINC000079514447 191947211 /nfs/dbraw/zinc/94/72/11/191947211.db2.gz MSVGWXSUDSYZHL-CQSZACIVSA-N 1 0 300.305 2.377 10 0 DEAERO COc1cccc(F)c1[C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000179926036 356037259 /nfs/dbraw/zinc/03/72/59/356037259.db2.gz HMAJKHWSILRHIX-QWRGUYRKSA-N 1 0 303.399 2.166 10 0 DEAERO CNc1cc(N2CCC[C@@H]2C[NH2+]C(C2CC2)C2CC2)ncn1 ZINC000180576322 356053712 /nfs/dbraw/zinc/05/37/12/356053712.db2.gz WANVOMULPOAFRF-CQSZACIVSA-N 1 0 301.438 2.265 10 0 DEAERO C[C@@H]([NH2+]Cc1cn2cccnc2n1)c1ccc(-n2ccnn2)cc1 ZINC000182039002 356106155 /nfs/dbraw/zinc/10/61/55/356106155.db2.gz LDYLDWJOJZKEMA-CYBMUJFWSA-N 1 0 319.372 2.161 10 0 DEAERO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)on1 ZINC000182256043 356116599 /nfs/dbraw/zinc/11/65/99/356116599.db2.gz UUJCPCZFLDABLX-SNVBAGLBSA-N 1 0 303.318 2.001 10 0 DEAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)no1 ZINC000182276856 356117589 /nfs/dbraw/zinc/11/75/89/356117589.db2.gz AFHJOWUQCHRVER-JTQLQIEISA-N 1 0 303.318 2.001 10 0 DEAERO Cc1csc(=O)n1CC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182282107 356119306 /nfs/dbraw/zinc/11/93/06/356119306.db2.gz PCHSCTUPEXFLLT-LLVKDONJSA-N 1 0 306.387 2.298 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)NCC2(C)CCCCCC2)CCO1 ZINC000181715215 356091986 /nfs/dbraw/zinc/09/19/86/356091986.db2.gz UOMQQNPNWYYFPZ-HNNXBMFYSA-N 1 0 311.470 2.319 10 0 DEAERO CNc1cc(N2CCC[C@H]2C[NH2+]C2CCC(OC)CC2)ncn1 ZINC000183150929 356161835 /nfs/dbraw/zinc/16/18/35/356161835.db2.gz SZBXNMOVGHRWNU-SLTAFYQDSA-N 1 0 319.453 2.034 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000187768409 356214245 /nfs/dbraw/zinc/21/42/45/356214245.db2.gz YEZOPKVMLVJYKZ-YOEHRIQHSA-N 1 0 310.413 2.071 10 0 DEAERO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccnn1C ZINC000192757170 356221728 /nfs/dbraw/zinc/22/17/28/356221728.db2.gz PEISWKNFDFYUSA-OAHLLOKOSA-N 1 0 322.412 2.481 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@H](C)C[S@@](C)=O)cc1NC(C)=O ZINC000184307427 356189251 /nfs/dbraw/zinc/18/92/51/356189251.db2.gz HHCZEVZYXNGXKS-NNUHMIRASA-N 1 0 312.435 2.071 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@H](C)C[S@](C)=O)cc1NC(C)=O ZINC000184307387 356189523 /nfs/dbraw/zinc/18/95/23/356189523.db2.gz HHCZEVZYXNGXKS-NNOLRYQLSA-N 1 0 312.435 2.071 10 0 DEAERO CCC[C@H](CC)NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184976496 356200768 /nfs/dbraw/zinc/20/07/68/356200768.db2.gz VSVZJLIDPOCXFW-ZBFHGGJFSA-N 1 0 313.486 2.299 10 0 DEAERO C[C@@H](NCc1nsc(N(C)C)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686857 356208749 /nfs/dbraw/zinc/20/87/49/356208749.db2.gz HSTRFFABPQYAEP-OLZOCXBDSA-N 1 0 323.510 2.347 10 0 DEAERO COCC[N@H+](C[C@H](C(N)=S)c1ccccc1)[C@@H](C)COC ZINC000080797447 192192089 /nfs/dbraw/zinc/19/20/89/192192089.db2.gz CJXNSVUDDPCHLQ-ZFWWWQNUSA-N 1 0 310.463 2.040 10 0 DEAERO CC(C)(C)[NH+]1CCN(C[C@H](C(N)=S)c2ccccc2)CC1 ZINC000080797098 192192460 /nfs/dbraw/zinc/19/24/60/192192460.db2.gz ZDVQLJVXWQHHGK-HNNXBMFYSA-N 1 0 305.491 2.472 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000226464189 356278794 /nfs/dbraw/zinc/27/87/94/356278794.db2.gz FPOHLAQGJVWOCP-LBPRGKRZSA-N 1 0 316.854 2.411 10 0 DEAERO C[C@H](O)CCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000227713302 356280228 /nfs/dbraw/zinc/28/02/28/356280228.db2.gz JEZKYQSDFISOIY-QWRGUYRKSA-N 1 0 322.232 2.484 10 0 DEAERO COc1cccc2c1CCC[C@H]2[NH2+]C[C@@]1(CCO)CCOC1 ZINC000194916460 356247129 /nfs/dbraw/zinc/24/71/29/356247129.db2.gz KWGFLHUQHOPQAN-SJLPKXTDSA-N 1 0 305.418 2.451 10 0 DEAERO COc1cc(OC)cc(C(=O)Nc2nc([C@@H](C)[NH3+])cs2)c1 ZINC000080862855 192196724 /nfs/dbraw/zinc/19/67/24/192196724.db2.gz KVMOYPMBUOMYMI-MRVPVSSYSA-N 1 0 307.375 2.432 10 0 DEAERO [NH3+]Cc1cc(I)cnc1OC(F)(F)F ZINC000238664796 356305406 /nfs/dbraw/zinc/30/54/06/356305406.db2.gz MJLDGXCIFPJCQJ-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000085361654 192495812 /nfs/dbraw/zinc/49/58/12/192495812.db2.gz HMARJZVIVZMOJG-GXSJLCMTSA-N 1 0 307.781 2.291 10 0 DEAERO COC(=O)C[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)c1cccs1 ZINC000081015163 192214007 /nfs/dbraw/zinc/21/40/07/192214007.db2.gz YXJUDTYPLMLKHC-NEPJUHHUSA-N 1 0 310.419 2.001 10 0 DEAERO C[C@@H]([NH2+]CCN1CC=CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400340857 283155939 /nfs/dbraw/zinc/15/59/39/283155939.db2.gz FQFWXHFRXDRMNK-CVEARBPZSA-N 1 0 323.481 2.483 10 0 DEAERO C[C@@H]([NH2+]CCc1ccn(C)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400341763 283156241 /nfs/dbraw/zinc/15/62/41/283156241.db2.gz GXTAXDVGGAWWKG-ZIAGYGMSSA-N 1 0 322.453 2.198 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400355778 283156292 /nfs/dbraw/zinc/15/62/92/283156292.db2.gz BCUFFYUZOLQBMU-ZNMIVQPWSA-N 1 0 311.470 2.316 10 0 DEAERO COC[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C(N)=[NH2+])C1 ZINC000081066688 192222164 /nfs/dbraw/zinc/22/21/64/192222164.db2.gz BOQXCSFWAIEQGZ-SECBINFHSA-N 1 0 301.312 2.462 10 0 DEAERO C[C@]1(Cc2ncc(I)s2)CCC[NH2+]1 ZINC000307033610 356407024 /nfs/dbraw/zinc/40/70/24/356407024.db2.gz MBHKAPZDJQMQBQ-SECBINFHSA-N 1 0 308.188 2.432 10 0 DEAERO CC(C)c1ocnc1C[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000328604831 356459695 /nfs/dbraw/zinc/45/96/95/356459695.db2.gz LGVADZFNBUQQQW-DZGCQCFKSA-N 1 0 319.409 2.155 10 0 DEAERO CC(C)c1nsc(N2CCO[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000328624504 356462890 /nfs/dbraw/zinc/46/28/90/356462890.db2.gz CKUDSJHVVNLHOS-CYBMUJFWSA-N 1 0 310.467 2.209 10 0 DEAERO CN1CCO[C@H](CN(CC(N)=O)Cc2coc3ccccc23)C1 ZINC000328626497 356462978 /nfs/dbraw/zinc/46/29/78/356462978.db2.gz FDQQDFMGLMRBSE-AWEZNQCLSA-N 1 0 317.389 2.101 10 0 DEAERO C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000081450498 192269016 /nfs/dbraw/zinc/26/90/16/192269016.db2.gz RNWOBPCDMMGDSM-ZIAGYGMSSA-N 1 0 312.454 2.440 10 0 DEAERO FC(F)(F)c1ccnc(N2CCC[C@@H](C[NH2+]C3CC3)C2)n1 ZINC000081587743 192297924 /nfs/dbraw/zinc/29/79/24/192297924.db2.gz KQPCTAIKHXVRFJ-JTQLQIEISA-N 1 0 300.328 2.464 10 0 DEAERO CC(C)[N@@H+]1CC[C@@H](CNc2nnc(Br)s2)C1 ZINC000081664504 192309634 /nfs/dbraw/zinc/30/96/34/192309634.db2.gz GNZJOJOYZIVZRM-QMMMGPOBSA-N 1 0 305.245 2.443 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(O)c(Br)c1 ZINC000236887014 202053732 /nfs/dbraw/zinc/05/37/32/202053732.db2.gz PJFZMQXTAYHRIQ-UFBFGSQYSA-N 1 0 315.211 2.144 10 0 DEAERO c1[nH+]cn2ccc(-c3noc(-c4ccc5nncn5c4)n3)cc12 ZINC000351087303 356610389 /nfs/dbraw/zinc/61/03/89/356610389.db2.gz NFYVSFFCRVPOAB-UHFFFAOYSA-N 1 0 303.285 2.094 10 0 DEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236949388 202088801 /nfs/dbraw/zinc/08/88/01/202088801.db2.gz IJGCYDSNHBSYDB-KOLCDFICSA-N 1 0 309.797 2.156 10 0 DEAERO C[C@@H](O)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000085984427 192541855 /nfs/dbraw/zinc/54/18/55/192541855.db2.gz WHDFLPVBQRWPBS-MGPQQGTHSA-N 1 0 300.443 2.383 10 0 DEAERO CC[C@H]1CC[C@H](NS(=O)(=O)Cc2cccc(C[NH3+])c2)[C@@H]1C ZINC000086091460 192548054 /nfs/dbraw/zinc/54/80/54/192548054.db2.gz ATLSTWOOEXEULZ-KCXAZCMYSA-N 1 0 310.463 2.389 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cccnc1OC1CCCC1 ZINC000236987368 202110790 /nfs/dbraw/zinc/11/07/90/202110790.db2.gz MCPYSAUWZNZUIN-IUODEOHRSA-N 1 0 305.422 2.393 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000382359819 356674678 /nfs/dbraw/zinc/67/46/78/356674678.db2.gz JATODLPFPIIYQA-GFCCVEGCSA-N 1 0 302.465 2.128 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000086671890 192588153 /nfs/dbraw/zinc/58/81/53/192588153.db2.gz ZVBLPHGTHYYSGK-HUUCEWRRSA-N 1 0 303.468 2.281 10 0 DEAERO Brc1csc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404186544 356732410 /nfs/dbraw/zinc/73/24/10/356732410.db2.gz FAMIMYLZSCWIFY-RYUDHWBXSA-N 1 0 317.252 2.073 10 0 DEAERO c1c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)nnn1-c1ccccc1 ZINC000578846585 356881166 /nfs/dbraw/zinc/88/11/66/356881166.db2.gz JOLVUIMQPXVCNY-BRWVUGGUSA-N 1 0 310.401 2.315 10 0 DEAERO c1cn([C@H]2CCC[N@@H+](CCN3CCCc4ccccc43)C2)nn1 ZINC000578621058 356846212 /nfs/dbraw/zinc/84/62/12/356846212.db2.gz HYMNXHSQPIZHJI-KRWDZBQOSA-N 1 0 311.433 2.368 10 0 DEAERO CC(C)C[C@@H](C)OC[C@@H](O)C[NH2+]CC1(O)CCCCCC1 ZINC000087089215 192622303 /nfs/dbraw/zinc/62/23/03/192622303.db2.gz DAFAMYKJHPFEHE-CVEARBPZSA-N 1 0 301.471 2.473 10 0 DEAERO CC[NH2+]CCc1ccc(S(=O)(=O)N2CCCC[C@H]2C)s1 ZINC000088906916 192651573 /nfs/dbraw/zinc/65/15/73/192651573.db2.gz PMPQOSSLEHFTIW-GFCCVEGCSA-N 1 0 316.492 2.463 10 0 DEAERO CCCCN(CCCC)S(=O)(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000088937864 192660728 /nfs/dbraw/zinc/66/07/28/192660728.db2.gz FRLVUUUHNFXKBW-OAHLLOKOSA-N 1 0 319.515 2.065 10 0 DEAERO C[NH2+]Cc1ccc(F)c(S(=O)(=O)NC2CCCCC2)c1 ZINC000088974870 192676982 /nfs/dbraw/zinc/67/69/82/192676982.db2.gz HSOFXRDJVQPDPQ-UHFFFAOYSA-N 1 0 300.399 2.156 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)C(CC)CC)nc1 ZINC000088963998 192672904 /nfs/dbraw/zinc/67/29/04/192672904.db2.gz CIHRYKPNPUUXAG-UHFFFAOYSA-N 1 0 313.467 2.390 10 0 DEAERO c1cnc(N2CCC[C@H]([NH2+]Cc3[nH]nc4ccccc43)C2)nc1 ZINC000589641632 357485912 /nfs/dbraw/zinc/48/59/12/357485912.db2.gz UXHJSILWHUXXKX-ZDUSSCGKSA-N 1 0 308.389 2.112 10 0 DEAERO C[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)NC(C1CC1)C1CC1 ZINC000088999117 192690675 /nfs/dbraw/zinc/69/06/75/192690675.db2.gz KRYNWTDFIACVKB-UHFFFAOYSA-N 1 0 312.435 2.083 10 0 DEAERO O=c1ccccn1CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590819545 357619559 /nfs/dbraw/zinc/61/95/59/357619559.db2.gz WMHGMVVHLZKCKI-GOSISDBHSA-N 1 0 317.477 2.436 10 0 DEAERO C[C@@H](CNc1ncc(C(F)(F)F)s1)N1CC[NH+](C)CC1 ZINC000276760039 213091851 /nfs/dbraw/zinc/09/18/51/213091851.db2.gz IZZLGBMCVOCPRW-VIFPVBQESA-N 1 0 308.373 2.210 10 0 DEAERO CSC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179169318 198992664 /nfs/dbraw/zinc/99/26/64/198992664.db2.gz AVJREGNFIHESFG-NWANDNLSSA-N 1 0 307.463 2.483 10 0 DEAERO COCC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C)ccc2F)C1 ZINC000592328292 357862026 /nfs/dbraw/zinc/86/20/26/357862026.db2.gz LAYRTYYYJJQNMA-ZDUSSCGKSA-N 1 0 309.385 2.366 10 0 DEAERO C[NH+](C)C[C@H]1CN(CCOc2ccc(F)cc2Cl)CCO1 ZINC000179609551 199063548 /nfs/dbraw/zinc/06/35/48/199063548.db2.gz LZLLBTNFUYXOLL-ZDUSSCGKSA-N 1 0 316.804 2.120 10 0 DEAERO Cc1noc(C)c1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180111355 199118802 /nfs/dbraw/zinc/11/88/02/199118802.db2.gz URMFXSZWTSTRJL-FUHWJXTLSA-N 1 0 313.401 2.396 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N(C)[C@@H](C)C(C)(C)C)c(C)o1 ZINC000089007422 192693252 /nfs/dbraw/zinc/69/32/52/192693252.db2.gz PKPIGDWGPSGWQU-NSHDSACASA-N 1 0 302.440 2.363 10 0 DEAERO CC1CC[NH+](CCNC(=O)[C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000276651798 213024155 /nfs/dbraw/zinc/02/41/55/213024155.db2.gz ZAPZSOJSTZFNTM-DLBZAZTESA-N 1 0 317.433 2.007 10 0 DEAERO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc(=O)[nH]1 ZINC000180505584 199169071 /nfs/dbraw/zinc/16/90/71/199169071.db2.gz KSILQBSOXCBXTA-CABCVRRESA-N 1 0 303.406 2.183 10 0 DEAERO COc1ccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c(Cl)c1 ZINC000594488096 358281672 /nfs/dbraw/zinc/28/16/72/358281672.db2.gz PFRRGUMWZMPNFY-UHFFFAOYSA-N 1 0 322.796 2.359 10 0 DEAERO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cnn(C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000180645438 199189350 /nfs/dbraw/zinc/18/93/50/199189350.db2.gz QKDIZYGRUNDJLW-ILXRZTDVSA-N 1 0 321.469 2.243 10 0 DEAERO O=C(NCc1ccc(Cl)cn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000180849175 199217756 /nfs/dbraw/zinc/21/77/56/199217756.db2.gz DRADJSLZVGCDLK-CYBMUJFWSA-N 1 0 322.840 2.362 10 0 DEAERO Cc1ccc(CNS(=O)(=O)c2ccsc2C[NH3+])s1 ZINC000089021498 192702308 /nfs/dbraw/zinc/70/23/08/192702308.db2.gz QWNXQVWMJZQROM-UHFFFAOYSA-N 1 0 302.446 2.055 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2F)C12CCOCC2 ZINC000186264881 199936570 /nfs/dbraw/zinc/93/65/70/199936570.db2.gz SRKUYBNPDBNVIZ-GVDBMIGSSA-N 1 0 323.408 2.423 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2)C12CCOCC2 ZINC000186203337 199928589 /nfs/dbraw/zinc/92/85/89/199928589.db2.gz IGGCWHDBOUPZSP-YESZJQIVSA-N 1 0 305.418 2.284 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Cl)c(CC)nn1CC)[C@@H]1COCCO1 ZINC000089361261 192772968 /nfs/dbraw/zinc/77/29/68/192772968.db2.gz VSESTDBAXHAEHU-JSGCOSHPSA-N 1 0 315.845 2.055 10 0 DEAERO CC[NH2+][C@H](Cc1c(Cl)c(CC)nn1CC)[C@H]1COCCO1 ZINC000089361271 192773662 /nfs/dbraw/zinc/77/36/62/192773662.db2.gz VSESTDBAXHAEHU-TZMCWYRMSA-N 1 0 315.845 2.055 10 0 DEAERO CSc1ccc(CN(C)C(=O)C[N@H+](C)CC2(CO)CC2)cc1 ZINC000186779122 200008739 /nfs/dbraw/zinc/00/87/39/200008739.db2.gz PEHNUSJEIKNYDM-UHFFFAOYSA-N 1 0 322.474 2.071 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000186833641 200018865 /nfs/dbraw/zinc/01/88/65/200018865.db2.gz ICGNIURTWZAOSH-CZUORRHYSA-N 1 0 304.434 2.477 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000187157792 200068817 /nfs/dbraw/zinc/06/88/17/200068817.db2.gz WVTLMCFNCLVBSH-WFASDCNBSA-N 1 0 323.412 2.362 10 0 DEAERO CC[N@@H+](Cc1ccncc1)C[C@@H]1CCO[C@H]1c1nccn1C ZINC000668154323 540599396 /nfs/dbraw/zinc/59/93/96/540599396.db2.gz LTVXEUDRHWSRPX-JKSUJKDBSA-N 1 0 300.406 2.415 10 0 DEAERO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)C[C@@H]1CCCO1 ZINC000187834376 200162995 /nfs/dbraw/zinc/16/29/95/200162995.db2.gz FZWCJFGDIMIJOC-CJNGLKHVSA-N 1 0 308.397 2.283 10 0 DEAERO COCc1cccc(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000188226177 200212263 /nfs/dbraw/zinc/21/22/63/200212263.db2.gz NRRDTXAQYSLPEC-PBHICJAKSA-N 1 0 304.434 2.317 10 0 DEAERO CCc1ccccc1CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000188568178 200267344 /nfs/dbraw/zinc/26/73/44/200267344.db2.gz DRFKZFVDUXIUPW-CRAIPNDOSA-N 1 0 318.461 2.095 10 0 DEAERO COc1ccnc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1OC ZINC000188671425 200284350 /nfs/dbraw/zinc/28/43/50/200284350.db2.gz WWWDAOUSAXRMCC-DYVFJYSZSA-N 1 0 306.406 2.226 10 0 DEAERO COc1ccccc1/C=C/CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000188741965 200298276 /nfs/dbraw/zinc/29/82/76/200298276.db2.gz RNOMRCGDSIQORN-DYLHUKMJSA-N 1 0 318.461 2.485 10 0 DEAERO COCCC[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189029979 200338126 /nfs/dbraw/zinc/33/81/26/200338126.db2.gz YHUXMPNMBUAOAP-BBRMVZONSA-N 1 0 308.397 2.331 10 0 DEAERO C[C@H]1COC[C@H](C)[NH+]1CCC(=O)N1CCc2ccccc2C1 ZINC000189043393 200341008 /nfs/dbraw/zinc/34/10/08/200341008.db2.gz JFXGLIXFPSBPLG-GJZGRUSLSA-N 1 0 302.418 2.071 10 0 DEAERO COC[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)C(C)C ZINC000189049619 200341609 /nfs/dbraw/zinc/34/16/09/200341609.db2.gz BOCQSVCFEHJZCS-HOTGVXAUSA-N 1 0 308.397 2.187 10 0 DEAERO CSCC1CCC([NH2+][C@@H]2CCCS(=O)(=O)CC2)CC1 ZINC000602024423 360245428 /nfs/dbraw/zinc/24/54/28/360245428.db2.gz MMDFJIGBVUATKN-ROKHWSDSSA-N 1 0 305.509 2.465 10 0 DEAERO C[NH2+]C[C@H](C)C(=O)/N=c1/sccn1Cc1ccccc1F ZINC000237096502 283573387 /nfs/dbraw/zinc/57/33/87/283573387.db2.gz QLCIIHUUGGOLHA-IRPICPOESA-N 1 0 307.394 2.020 10 0 DEAERO C[C@H](NC(=O)C(=O)c1ccc2c(c1)CCC2)C1CC[NH+](C)CC1 ZINC000603333945 360795518 /nfs/dbraw/zinc/79/55/18/360795518.db2.gz FDPJRUFQWQFBEG-ZDUSSCGKSA-N 1 0 314.429 2.205 10 0 DEAERO O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195336073 296023369 /nfs/dbraw/zinc/02/33/69/296023369.db2.gz QWXBTVVGJWCLCP-KURKYZTESA-N 1 0 314.429 2.461 10 0 DEAERO Cc1ncc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)s1 ZINC000191774344 200761472 /nfs/dbraw/zinc/76/14/72/200761472.db2.gz BSJGKKGQMNUJSO-OAHLLOKOSA-N 1 0 319.405 2.481 10 0 DEAERO Cc1nnc(CN2CC[NH+]([C@H](C)CCc3ccccc3)CC2)[nH]1 ZINC000605422496 360968107 /nfs/dbraw/zinc/96/81/07/360968107.db2.gz FPAPACAWHDAJGN-OAHLLOKOSA-N 1 0 313.449 2.252 10 0 DEAERO COc1ccc(CC2CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000192031240 200804861 /nfs/dbraw/zinc/80/48/61/200804861.db2.gz IYXTZCFVFQYFMU-KBPBESRZSA-N 1 0 304.434 2.460 10 0 DEAERO CC(C)C[NH+]1CCN(C(=O)Nc2ccc3nccn3c2)CC1 ZINC000606582598 361022752 /nfs/dbraw/zinc/02/27/52/361022752.db2.gz WFOSZDBVTQWDHN-UHFFFAOYSA-N 1 0 301.394 2.140 10 0 DEAERO Cc1cc(N(C)C[C@H]2CCS(=O)(=O)C2)c2ccccc2[nH+]1 ZINC000607148457 361071969 /nfs/dbraw/zinc/07/19/69/361071969.db2.gz SMIJUFNUVWFQLQ-CYBMUJFWSA-N 1 0 304.415 2.414 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(CCSCc2ccccc2)CC1 ZINC000192604830 200909079 /nfs/dbraw/zinc/90/90/79/200909079.db2.gz XKSVCAYUIQRKGD-KRWDZBQOSA-N 1 0 308.491 2.308 10 0 DEAERO c1nc2c(ncnc2N2CCC[C@@H]2C[NH+]2CCCC2)n1C1CC1 ZINC000292758170 223231938 /nfs/dbraw/zinc/23/19/38/223231938.db2.gz OCGCTIMOUZMSLB-CQSZACIVSA-N 1 0 312.421 2.226 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc3nccn3c2)C1 ZINC000608313964 361196697 /nfs/dbraw/zinc/19/66/97/361196697.db2.gz WZRXEJJPJFLTTM-AWEZNQCLSA-N 1 0 301.394 2.282 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1CC ZINC000193407084 201048253 /nfs/dbraw/zinc/04/82/53/201048253.db2.gz FADNSVRRSKQYMP-LRDDRELGSA-N 1 0 310.463 2.088 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000193511337 201066314 /nfs/dbraw/zinc/06/63/14/201066314.db2.gz NRXHVSOYDIRAGC-XHDPSFHLSA-N 1 0 318.808 2.396 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000193514868 201066378 /nfs/dbraw/zinc/06/63/78/201066378.db2.gz SOQDHASLWYTHSY-YGRLFVJLSA-N 1 0 306.793 2.373 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000193601084 201084583 /nfs/dbraw/zinc/08/45/83/201084583.db2.gz ZHUWUMNLTBKJJK-DOMZBBRYSA-N 1 0 323.414 2.376 10 0 DEAERO CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000628230474 366776210 /nfs/dbraw/zinc/77/62/10/366776210.db2.gz HUXAXTDZBDDJHZ-RBSFLKMASA-N 1 0 302.484 2.074 10 0 DEAERO C=Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cn1 ZINC000194441106 201226560 /nfs/dbraw/zinc/22/65/60/201226560.db2.gz GGJDOOBENWELKK-MRXNPFEDSA-N 1 0 314.364 2.013 10 0 DEAERO O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195234239 201363402 /nfs/dbraw/zinc/36/34/02/201363402.db2.gz HRYNLYPDHCVWDQ-OWCLPIDISA-N 1 0 303.381 2.171 10 0 DEAERO CCCCOC[C@@H](O)CN1CCO[C@H](Cc2ccccc2)C1 ZINC000195215357 201359230 /nfs/dbraw/zinc/35/92/30/201359230.db2.gz IWSHHWRIFJJDLM-ZWKOTPCHSA-N 1 0 307.434 2.108 10 0 DEAERO CC(C)(C)OC(=O)N1CC(c2cc(Cl)cnc2N)=C[C@H]([NH3+])C1 ZINC000675078455 541286218 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CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2C)CC12COC2 ZINC000449357466 240391446 /nfs/dbraw/zinc/39/14/46/240391446.db2.gz DKSKODXDUISFDS-MRXNPFEDSA-N 1 0 303.402 2.315 10 0 DEAERO Cc1cc(C[NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)ccn1 ZINC000623574663 365086162 /nfs/dbraw/zinc/08/61/62/365086162.db2.gz TVLSCQMEANGYFL-FQEVSTJZSA-N 1 0 324.472 2.296 10 0 DEAERO c1csc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000623780518 365172381 /nfs/dbraw/zinc/17/23/81/365172381.db2.gz NPNIWQVBYMFQIL-OAHLLOKOSA-N 1 0 303.431 2.134 10 0 DEAERO COc1ccc(Cl)c(NC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000091290575 193031748 /nfs/dbraw/zinc/03/17/48/193031748.db2.gz HNAHZCVNGMXWAJ-VIFPVBQESA-N 1 0 300.811 2.382 10 0 DEAERO CCCNC(=O)C[C@H](C[NH3+])Nc1ccc(Br)cc1 ZINC000091317794 193038472 /nfs/dbraw/zinc/03/84/72/193038472.db2.gz KQBGVQDQHBZHSI-GFCCVEGCSA-N 1 0 314.227 2.105 10 0 DEAERO [NH3+]C[C@H](CC(=O)N1CCCC1)N(Cc1ccsc1)C1CC1 ZINC000091323390 193040094 /nfs/dbraw/zinc/04/00/94/193040094.db2.gz BSRPHKPMMWQLFZ-HNNXBMFYSA-N 1 0 307.463 2.052 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000091368927 193048067 /nfs/dbraw/zinc/04/80/67/193048067.db2.gz GTLHJSBPSZVHNC-KOLCDFICSA-N 1 0 309.460 2.355 10 0 DEAERO CN(Cc1csc(Br)c1)c1cncc(C[NH3+])n1 ZINC000091420652 193054031 /nfs/dbraw/zinc/05/40/31/193054031.db2.gz QOENMEYNGAJECF-UHFFFAOYSA-N 1 0 313.224 2.396 10 0 DEAERO C[C@@](O)(C[NH3+])Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000091521253 193068685 /nfs/dbraw/zinc/06/86/85/193068685.db2.gz JEGUFNVFXCYVIE-ZDUSSCGKSA-N 1 0 316.188 2.219 10 0 DEAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2F)C1 ZINC000091546449 193071552 /nfs/dbraw/zinc/07/15/52/193071552.db2.gz JOORSUUXYVEFFX-KWQFWETISA-N 1 0 315.186 2.332 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)CCC2 ZINC000091544257 193071845 /nfs/dbraw/zinc/07/18/45/193071845.db2.gz PHXHEBXOXWDPBU-RKDXNWHRSA-N 1 0 308.403 2.089 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)C(C)(C)N1CCCCC1 ZINC000091564697 193073152 /nfs/dbraw/zinc/07/31/52/193073152.db2.gz XJWZRWVIVHEGJB-AWEZNQCLSA-N 1 0 304.500 2.054 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)C(C)(C)N1CCCCC1 ZINC000091565427 193073297 /nfs/dbraw/zinc/07/32/97/193073297.db2.gz ZIROSEOMXPTVFA-OAHLLOKOSA-N 1 0 318.527 2.444 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H](O)C[NH2+]CC(C)C ZINC000091465590 193059808 /nfs/dbraw/zinc/05/98/08/193059808.db2.gz GRVZYEZVTNAUHA-LLVKDONJSA-N 1 0 318.259 2.123 10 0 DEAERO C[NH2+]CC1CC(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000091475901 193061460 /nfs/dbraw/zinc/06/14/60/193061460.db2.gz RYFZUBGOCMEALM-UHFFFAOYSA-N 1 0 323.336 2.357 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1COCCN1C)c1cccc(Br)c1 ZINC000624172603 365318352 /nfs/dbraw/zinc/31/83/52/365318352.db2.gz QHPOZDNZMJSGSD-RISCZKNCSA-N 1 0 313.239 2.430 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Br)s1 ZINC000091667434 193088366 /nfs/dbraw/zinc/08/83/66/193088366.db2.gz FZBXFOIFCQQZPV-ZJUUUORDSA-N 1 0 319.268 2.492 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(OC)c(Br)c1)CN(C)C ZINC000091719676 193096904 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ZINC000449790336 241088163 /nfs/dbraw/zinc/08/81/63/241088163.db2.gz LEXRHYVFHBNXKC-UONOGXRCSA-N 1 0 320.458 2.388 10 0 DEAERO C[NH2+]CCOCCN(C)Cc1c(F)cccc1Br ZINC000629570157 367256631 /nfs/dbraw/zinc/25/66/31/367256631.db2.gz IQJDPMNTBQISNI-UHFFFAOYSA-N 1 0 319.218 2.256 10 0 DEAERO CC(=O)c1ccccc1OCCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584325 367261963 /nfs/dbraw/zinc/26/19/63/367261963.db2.gz OSNCHIZCXOUNRZ-HDICACEKSA-N 1 0 302.418 2.199 10 0 DEAERO Cc1ccc([C@H](NC(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)C(F)(F)F)o1 ZINC000630078403 367459471 /nfs/dbraw/zinc/45/94/71/367459471.db2.gz TZQYZCNPNDCTNF-QRTLGDNMSA-N 1 0 319.327 2.428 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(Cc3cccc4c3OCO4)CC2)CCO1 ZINC000092079148 193154561 /nfs/dbraw/zinc/15/45/61/193154561.db2.gz XTLAUFSNLZJYLS-CQSZACIVSA-N 1 0 318.417 2.100 10 0 DEAERO COC[C@H]([NH3+])Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000630587768 367741815 /nfs/dbraw/zinc/74/18/15/367741815.db2.gz ZCQVUNJIIMLWLV-MRVPVSSYSA-N 1 0 301.177 2.090 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C[NH3+])c2F)C[C@H]1C ZINC000092113811 193161172 /nfs/dbraw/zinc/16/11/72/193161172.db2.gz GFVUCGZRJHPEKB-DTORHVGOSA-N 1 0 320.817 2.214 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)c(F)c1 ZINC000092115475 193163076 /nfs/dbraw/zinc/16/30/76/193163076.db2.gz QVRMKHHPLHSTGU-GFCCVEGCSA-N 1 0 314.426 2.498 10 0 DEAERO CC[C@@H](C)N(CC)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115642 193163540 /nfs/dbraw/zinc/16/35/40/193163540.db2.gz SGEGBNVPIPJVHI-LLVKDONJSA-N 1 0 302.415 2.354 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCCCC2)c(F)c1 ZINC000092115497 193163563 /nfs/dbraw/zinc/16/35/63/193163563.db2.gz NGYCYMHDNOTAEK-UHFFFAOYSA-N 1 0 314.426 2.500 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(C)C)c(F)c1 ZINC000092116283 193164009 /nfs/dbraw/zinc/16/40/09/193164009.db2.gz HOOYWMIOMUKLKE-AWEZNQCLSA-N 1 0 314.426 2.354 10 0 DEAERO CCC(C)(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092116210 193164257 /nfs/dbraw/zinc/16/42/57/193164257.db2.gz IEUKVXDXXGARMP-UHFFFAOYSA-N 1 0 302.415 2.354 10 0 DEAERO Cc1occc1CN(C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115877 193164665 /nfs/dbraw/zinc/16/46/65/193164665.db2.gz FYHOSKUJLNLRNM-UHFFFAOYSA-N 1 0 312.366 2.007 10 0 DEAERO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])cc2F)[C@@H]1C ZINC000092116051 193164712 /nfs/dbraw/zinc/16/47/12/193164712.db2.gz NENAIOFYQZCHBW-GHMZBOCLSA-N 1 0 300.399 2.094 10 0 DEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)C(C)(C)OC ZINC000092139098 193167743 /nfs/dbraw/zinc/16/77/43/193167743.db2.gz ILIWOSRKJLWWKH-SNVBAGLBSA-N 1 0 304.232 2.047 10 0 DEAERO CN(Cc1cccc(Br)c1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092205820 193172959 /nfs/dbraw/zinc/17/29/59/193172959.db2.gz TWJUGKPFIQQFAT-WCQYABFASA-N 1 0 309.207 2.311 10 0 DEAERO CN(Cc1csc(Br)c1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092206986 193173763 /nfs/dbraw/zinc/17/37/63/193173763.db2.gz YWHUMJQSIXIPEE-NXEZZACHSA-N 1 0 315.236 2.372 10 0 DEAERO CCCN(CC)c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000250074615 202819706 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C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(F)c(Cl)c1 ZINC000261660680 203088358 /nfs/dbraw/zinc/08/83/58/203088358.db2.gz FSFHQDRAZLEBJH-PLMOITTCSA-N 1 0 300.761 2.163 10 0 DEAERO CC(C)c1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000262046085 203183467 /nfs/dbraw/zinc/18/34/67/203183467.db2.gz ZCGQTCYMAFBZDP-SJORKVTESA-N 1 0 312.417 2.485 10 0 DEAERO O=C(C[C@@H]1COCC[NH2+]1)NCCc1c(Cl)cccc1Cl ZINC000262056136 203185844 /nfs/dbraw/zinc/18/58/44/203185844.db2.gz HXQRMSIFPIVTDW-SNVBAGLBSA-N 1 0 317.216 2.031 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)NCc1ccc(O)c(Br)c1 ZINC000262169242 203218012 /nfs/dbraw/zinc/21/80/12/203218012.db2.gz WWWTYJOCENWOLZ-ZDUSSCGKSA-N 1 0 315.211 2.288 10 0 DEAERO CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093207962 193216717 /nfs/dbraw/zinc/21/67/17/193216717.db2.gz TZGFOXCIVXIFNE-HZSPNIEDSA-N 1 0 300.443 2.429 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)C[C@H](C)CC)nc1 ZINC000093265771 193222619 /nfs/dbraw/zinc/22/26/19/193222619.db2.gz QIVREHWQRLXKFK-CYBMUJFWSA-N 1 0 313.467 2.248 10 0 DEAERO CCC(CC)N(CC(C)C)S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000093326627 193232783 /nfs/dbraw/zinc/23/27/83/193232783.db2.gz HBGXGJXBUDAWEG-UHFFFAOYSA-N 1 0 319.515 2.049 10 0 DEAERO CCN1C(N)=[NH+]C[C@]12CCc1cc(Br)ccc1C2 ZINC000093357861 193237237 /nfs/dbraw/zinc/23/72/37/193237237.db2.gz IKRNBLJKEZIBOS-CQSZACIVSA-N 1 0 308.223 2.327 10 0 DEAERO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc2c1OCCO2 ZINC000093437391 193252085 /nfs/dbraw/zinc/25/20/85/193252085.db2.gz MIJVVFBBZOVGDS-DZGCQCFKSA-N 1 0 318.417 2.135 10 0 DEAERO [NH2+]=C1NC[C@H](c2ccc3c(c2)OCO3)N1Cc1cccs1 ZINC000093392965 193243568 /nfs/dbraw/zinc/24/35/68/193243568.db2.gz QERKGBPPGHHPNK-GFCCVEGCSA-N 1 0 301.371 2.348 10 0 DEAERO C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1ccccc1NS(C)(=O)=O ZINC000093485855 193258124 /nfs/dbraw/zinc/25/81/24/193258124.db2.gz HJUUEEGJZFHUMP-OLZOCXBDSA-N 1 0 311.451 2.391 10 0 DEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCC(=O)NC1CCCC1 ZINC000249772179 284166692 /nfs/dbraw/zinc/16/66/92/284166692.db2.gz TXEFUCWUQRGZCC-IMJJTQAJSA-N 1 0 322.449 2.241 10 0 DEAERO CC[C@@H]1C[NH2+]C(CC)(CC)CN1CC(C)(C)S(C)(=O)=O ZINC000093525803 193263836 /nfs/dbraw/zinc/26/38/36/193263836.db2.gz XNWKLUAAMSKQRP-CYBMUJFWSA-N 1 0 304.500 2.052 10 0 DEAERO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525772 193264346 /nfs/dbraw/zinc/26/43/46/193264346.db2.gz ULTRSPJZMRHSBF-HIFRSBDPSA-N 1 0 316.511 2.052 10 0 DEAERO CCC[NH2+][C@]1(CO)CCC[C@@H]1CCSc1nnc(C)n1C ZINC000093622279 193275813 /nfs/dbraw/zinc/27/58/13/193275813.db2.gz GPSGUNOBWOXANS-HIFRSBDPSA-N 1 0 312.483 2.137 10 0 DEAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1nncs1 ZINC000093629383 193276357 /nfs/dbraw/zinc/27/63/57/193276357.db2.gz UBGXQSQOLYEPNS-GWCFXTLKSA-N 1 0 314.480 2.043 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1ccc(Cl)cn1 ZINC000093631207 193277467 /nfs/dbraw/zinc/27/74/67/193277467.db2.gz ABUSSTKCLLAADU-HZMBPMFUSA-N 1 0 313.854 2.461 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000093696621 193292174 /nfs/dbraw/zinc/29/21/74/193292174.db2.gz BDHLLWBTLMOEDO-STQMWFEESA-N 1 0 314.426 2.148 10 0 DEAERO C[C@@]([NH3+])(Cc1ccccc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699212 193293454 /nfs/dbraw/zinc/29/34/54/193293454.db2.gz PRVGTIYIIKLYGC-HZPDHXFCSA-N 1 0 310.463 2.008 10 0 DEAERO C[C@@]([NH3+])(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000093699166 193293596 /nfs/dbraw/zinc/29/35/96/193293596.db2.gz JKKREHIDRYCDDW-SWLSCSKDSA-N 1 0 314.426 2.061 10 0 DEAERO C[NH2+][C@H](CSCC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700482 193293866 /nfs/dbraw/zinc/29/38/66/193293866.db2.gz LZXIZRQNCLJUCN-KBPBESRZSA-N 1 0 322.540 2.025 10 0 DEAERO CC1CCC([C@@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093700180 193294018 /nfs/dbraw/zinc/29/40/18/193294018.db2.gz PQDGJYTWYOLCCE-SHWKFHJASA-N 1 0 302.484 2.202 10 0 DEAERO CC[C@@H]1CC[C@H]([C@@H](C[C@@H]2CCCN(S(C)(=O)=O)C2)[NH2+]C)C1 ZINC000093700641 193294687 /nfs/dbraw/zinc/29/46/87/193294687.db2.gz GBKPNTKMQKBKEW-FXUDXRNXSA-N 1 0 316.511 2.462 10 0 DEAERO CC(C)C[NH2+]C[C@H](C)CC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702326 193295517 /nfs/dbraw/zinc/29/55/17/193295517.db2.gz YUBKYCYRDRDVFC-HUUCEWRRSA-N 1 0 304.500 2.320 10 0 DEAERO [NH3+][C@@H](Cc1c[nH]cn1)c1nc2cc(F)c(Br)cc2[nH]1 ZINC000093728652 193297347 /nfs/dbraw/zinc/29/73/47/193297347.db2.gz SUZQVXCMIIMEJJ-VIFPVBQESA-N 1 0 324.157 2.430 10 0 DEAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H](SC2CCOCC2)C1 ZINC000093779715 193305979 /nfs/dbraw/zinc/30/59/79/193305979.db2.gz MBSLBXUILFTYTN-HIFRSBDPSA-N 1 0 300.468 2.063 10 0 DEAERO COc1ccc2[nH]c(S[C@H]3CCC[C@]([NH3+])(CO)C3)nc2c1 ZINC000093786670 193307359 /nfs/dbraw/zinc/30/73/59/193307359.db2.gz PHTZIWSVQMSTSB-XHDPSFHLSA-N 1 0 307.419 2.296 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)NC2C(C)(C)C([NH3+])C2(C)C)c1 ZINC000094006557 193338190 /nfs/dbraw/zinc/33/81/90/193338190.db2.gz UEDIKLUBYHYYIR-UHFFFAOYSA-N 1 0 310.463 2.344 10 0 DEAERO COC(=O)[C@@]1([NH3+])CC[C@@H](Sc2ncnc3ccccc32)C1 ZINC000093851636 193318330 /nfs/dbraw/zinc/31/83/30/193318330.db2.gz CMXDVKPOXDQWLM-MEBBXXQBSA-N 1 0 303.387 2.145 10 0 DEAERO CN(CC(C)(C)C[NH3+])c1ccc(C(N)=O)c(C(F)(F)F)c1 ZINC000093874656 193322155 /nfs/dbraw/zinc/32/21/55/193322155.db2.gz PQMWMIXGPXDFIF-UHFFFAOYSA-N 1 0 303.328 2.225 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1cccc(Cl)c1 ZINC000093878189 193322262 /nfs/dbraw/zinc/32/22/62/193322262.db2.gz HLASSBFCMKCGNB-UHFFFAOYSA-N 1 0 304.843 2.336 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000093878137 193322454 /nfs/dbraw/zinc/32/24/54/193322454.db2.gz OTWIIRWXSQQUAP-UHFFFAOYSA-N 1 0 322.833 2.475 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(Cl)s1 ZINC000093878113 193322604 /nfs/dbraw/zinc/32/26/04/193322604.db2.gz RGZASSUJXRPGSB-UHFFFAOYSA-N 1 0 310.872 2.397 10 0 DEAERO CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)[C@@H]1CN(C)CCN1C ZINC000093895015 193325483 /nfs/dbraw/zinc/32/54/83/193325483.db2.gz KEQVPKLEMWCCAE-HOTGVXAUSA-N 1 0 313.848 2.246 10 0 DEAERO CCC[NH2+][C@H](Cc1ccncc1Cl)[C@@H]1CN(CC)CCO1 ZINC000093915310 193328043 /nfs/dbraw/zinc/32/80/43/193328043.db2.gz MCPRZOVTZNKJDV-CVEARBPZSA-N 1 0 311.857 2.366 10 0 DEAERO C[NH2+][C@@H]1[C@H](N2CCN(CC(F)(F)F)CC2)CCCC1(C)C ZINC000094275384 193356243 /nfs/dbraw/zinc/35/62/43/193356243.db2.gz FKCUWHDRNLUWCE-CHWSQXEVSA-N 1 0 307.404 2.333 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1CN(C)CCS(C)(=O)=O ZINC000094300455 193359014 /nfs/dbraw/zinc/35/90/14/193359014.db2.gz GVVXLXJYVFYBLK-BZUAXINKSA-N 1 0 318.527 2.157 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CCCCC2(C)C)o1 ZINC000094332928 193359193 /nfs/dbraw/zinc/35/91/93/193359193.db2.gz QSWFFIGYHZRTPB-GFCCVEGCSA-N 1 0 300.424 2.246 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCC2(C)C)o1 ZINC000094323088 193359796 /nfs/dbraw/zinc/35/97/96/193359796.db2.gz RVDOJJDEZXDLLO-LBPRGKRZSA-N 1 0 300.424 2.246 10 0 DEAERO CC1(C)CCCC[C@@H]1NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000094330531 193359802 /nfs/dbraw/zinc/35/98/02/193359802.db2.gz RMAZCRGTNDQIMC-LBPRGKRZSA-N 1 0 316.492 2.496 10 0 DEAERO CCN(c1nc(C(F)(F)F)ccc1C(N)=[NH2+])[C@@H](C)COC ZINC000094336726 193361411 /nfs/dbraw/zinc/36/14/11/193361411.db2.gz IGDDXBUMRPZCHY-QMMMGPOBSA-N 1 0 304.316 2.246 10 0 DEAERO CCC(CC)NC(=O)[C@H](C)Oc1c(F)cc(C[NH3+])cc1F ZINC000094345937 193363643 /nfs/dbraw/zinc/36/36/43/193363643.db2.gz YXQRTZRZWYRZJT-VIFPVBQESA-N 1 0 300.349 2.496 10 0 DEAERO CCCS(=O)(=O)c1ccc(N(C)CC2CC[NH2+]CC2)cc1 ZINC000094043131 193340559 /nfs/dbraw/zinc/34/05/59/193340559.db2.gz DZNNRUKDURXAIJ-UHFFFAOYSA-N 1 0 310.463 2.306 10 0 DEAERO C[NH2+][C@H](c1ccc(F)c(Br)c1)[C@H]1COCCO1 ZINC000094096379 193345118 /nfs/dbraw/zinc/34/51/18/193345118.db2.gz NPZDHTVEPPURPK-VXGBXAGGSA-N 1 0 304.159 2.264 10 0 DEAERO C[NH2+][C@@H](c1cc(Br)ccc1F)[C@H]1COCCO1 ZINC000094108715 193345902 /nfs/dbraw/zinc/34/59/02/193345902.db2.gz WSOKDRLTDBBFHU-NEPJUHHUSA-N 1 0 304.159 2.264 10 0 DEAERO COc1ccc([C@H]([NH3+])CS(=O)(=O)c2cccc(F)c2)cc1 ZINC000094624789 193385560 /nfs/dbraw/zinc/38/55/60/193385560.db2.gz YERCPBGSVSHDSB-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@@H](Oc2cccc(F)c2C[NH3+])C1 ZINC000094634053 193385564 /nfs/dbraw/zinc/38/55/64/193385564.db2.gz ZEWGEKHWDGMNSA-MNOVXSKESA-N 1 0 301.383 2.019 10 0 DEAERO CC[N@H+](Cc1cccc(N)c1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094637565 193386799 /nfs/dbraw/zinc/38/67/99/193386799.db2.gz GINNXQRISMWZTL-CVEARBPZSA-N 1 0 310.463 2.447 10 0 DEAERO C[NH2+][C@H](Cc1nc(C)cs1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642178 193388588 /nfs/dbraw/zinc/38/85/88/193388588.db2.gz YNHDBWXHYMFOGS-RWMBFGLXSA-N 1 0 316.492 2.185 10 0 DEAERO C[C@H]([NH3+])Cc1ccccc1O[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094643231 193388590 /nfs/dbraw/zinc/38/85/90/193388590.db2.gz RSHNIPBXBZFGQA-CFVMTHIKSA-N 1 0 311.447 2.311 10 0 DEAERO CC[NH2+][C@H](Cc1cccc(F)c1F)C(C)(C)S(C)(=O)=O ZINC000094713185 193393114 /nfs/dbraw/zinc/39/31/14/193393114.db2.gz JFYNGZCJBUXFCH-GFCCVEGCSA-N 1 0 305.390 2.309 10 0 DEAERO NC(=O)C1CCC([NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094368818 193367026 /nfs/dbraw/zinc/36/70/26/193367026.db2.gz OGRIDHZKSSSQFR-JXQTWKCFSA-N 1 0 312.479 2.065 10 0 DEAERO CCC[NH2+]Cc1cn([C@H]2CCOC3(CCSCC3)C2)nn1 ZINC000094419067 193368674 /nfs/dbraw/zinc/36/86/74/193368674.db2.gz DWNCXRTZLXPFKX-AWEZNQCLSA-N 1 0 310.467 2.395 10 0 DEAERO CC(C)[NH2+]Cc1cn([C@H]2CCOC3(CCSCC3)C2)nn1 ZINC000094419085 193369007 /nfs/dbraw/zinc/36/90/07/193369007.db2.gz QSLVCCFMIRUGDV-AWEZNQCLSA-N 1 0 310.467 2.393 10 0 DEAERO NC(=S)c1cc(F)ccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439538 193369628 /nfs/dbraw/zinc/36/96/28/193369628.db2.gz ZTLQVNOYKMSOEQ-CQSZACIVSA-N 1 0 307.438 2.130 10 0 DEAERO CC(C)[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CC(C)(C)S(C)(=O)=O ZINC000094435236 193369846 /nfs/dbraw/zinc/36/98/46/193369846.db2.gz HVXLTWNEPDQVME-CABCVRRESA-N 1 0 316.511 2.004 10 0 DEAERO C[C@H]1C[C@](C[NH3+])(N2CCN(c3ccc(F)cc3)CC2)CS1 ZINC000094473243 193372613 /nfs/dbraw/zinc/37/26/13/193372613.db2.gz VOKHDUYUMXWYJM-XJKSGUPXSA-N 1 0 309.454 2.171 10 0 DEAERO CC[NH2+][C@@H](Cc1nn(C)c2ccccc12)[C@H]1CSCCO1 ZINC000094504043 193374421 /nfs/dbraw/zinc/37/44/21/193374421.db2.gz SRAHDRWIMDXVBG-GOEBONIOSA-N 1 0 305.447 2.226 10 0 DEAERO CCc1nn(CC)c(C[C@H]([NH3+])[C@H]2CSCCO2)c1Cl ZINC000094502678 193374438 /nfs/dbraw/zinc/37/44/38/193374438.db2.gz UIJARIOTKYHEKA-JOYOIKCWSA-N 1 0 303.859 2.121 10 0 DEAERO CCCn1c(C[C@@H]([NH3+])[C@H]2CSCCO2)nc2ccccc21 ZINC000094502407 193374594 /nfs/dbraw/zinc/37/45/94/193374594.db2.gz LYRMZGPXEMPOHK-IUODEOHRSA-N 1 0 305.447 2.448 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000094550171 193378803 /nfs/dbraw/zinc/37/88/03/193378803.db2.gz QOCKLHZUFWQGIX-JUONBAAVSA-N 1 0 314.838 2.310 10 0 DEAERO [NH3+]Cc1ccc(C(=O)NCc2ccc(Br)cc2)o1 ZINC000094564357 193380447 /nfs/dbraw/zinc/38/04/47/193380447.db2.gz BXEOCFUCDJQEST-UHFFFAOYSA-N 1 0 309.163 2.431 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094568601 193380502 /nfs/dbraw/zinc/38/05/02/193380502.db2.gz WOINIODMPSXJOK-OLZOCXBDSA-N 1 0 317.216 2.458 10 0 DEAERO Cc1nc(NC(=O)c2ccc(C[NH3+])o2)ccc1Br ZINC000094573143 193381345 /nfs/dbraw/zinc/38/13/45/193381345.db2.gz HVARPQMTRDCPFI-UHFFFAOYSA-N 1 0 310.151 2.457 10 0 DEAERO CC(C)(C)[NH2+]C[C@@H](Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000094976340 193410728 /nfs/dbraw/zinc/41/07/28/193410728.db2.gz MECLHMWRRSOYAF-VXGBXAGGSA-N 1 0 316.492 2.125 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)c2ccc(C[NH3+])s2)C1 ZINC000094805675 193399466 /nfs/dbraw/zinc/39/94/66/193399466.db2.gz TYSNVDKEWASQQU-UHFFFAOYSA-N 1 0 302.465 2.408 10 0 DEAERO O=C(N[C@H]1CCc2cc(Cl)ccc21)c1[nH]nc2c1C[NH2+]CC2 ZINC000188418819 284230190 /nfs/dbraw/zinc/23/01/90/284230190.db2.gz KNMKFHBBBNRVTG-ZDUSSCGKSA-N 1 0 316.792 2.126 10 0 DEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)c1cc(C)nnc1C ZINC000097218154 193693694 /nfs/dbraw/zinc/69/36/94/193693694.db2.gz XYFUDEMYDPFPBS-OAHLLOKOSA-N 1 0 313.467 2.349 10 0 DEAERO CC[NH2+][C@H](CCCOCC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097312785 193707293 /nfs/dbraw/zinc/70/72/93/193707293.db2.gz NPNJKIWKAAIGOZ-QLFBSQMISA-N 1 0 305.484 2.385 10 0 DEAERO CCC[NH2+][C@H](c1csnn1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097312793 193706562 /nfs/dbraw/zinc/70/65/62/193706562.db2.gz UUEZKTUBWFVCGI-MDZLAQPJSA-N 1 0 317.480 2.182 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccc(-n2cccn2)cc1)[NH+](C)C ZINC000161572463 197504584 /nfs/dbraw/zinc/50/45/84/197504584.db2.gz PCQXONIBPNOYJW-INIZCTEOSA-N 1 0 300.406 2.219 10 0 DEAERO COC(=O)[C@@H](C[NH3+])Cc1ccc(Br)c2cccnc12 ZINC000160384129 197405639 /nfs/dbraw/zinc/40/56/39/197405639.db2.gz JDBATVUYJLATEB-SNVBAGLBSA-N 1 0 323.190 2.288 10 0 DEAERO [NH3+]CCN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000020183582 182194905 /nfs/dbraw/zinc/19/49/05/182194905.db2.gz IQNGKRZXDUKFQH-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO Cc1cc(Br)c(NC(=O)C[NH3+])c(Br)c1 ZINC000020302446 182204355 /nfs/dbraw/zinc/20/43/55/182204355.db2.gz JKAUFWLVZOPIHF-UHFFFAOYSA-N 1 0 322.000 2.417 10 0 DEAERO COC(C)(C)C[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000160257790 197395662 /nfs/dbraw/zinc/39/56/62/197395662.db2.gz MQFURWKRTDNZSW-UHFFFAOYSA-N 1 0 315.211 2.402 10 0 DEAERO Cn1cc([C@@H](C[NH3+])Oc2cc(F)ccc2Br)cn1 ZINC000160178908 197391515 /nfs/dbraw/zinc/39/15/15/197391515.db2.gz VDWRMHKVNXTJGB-GFCCVEGCSA-N 1 0 314.158 2.401 10 0 DEAERO C[C@@H]1CO[C@@H](C[NH3+])CN1c1ncc(Cl)cc1Br ZINC000160113325 197387489 /nfs/dbraw/zinc/38/74/89/197387489.db2.gz IOSOUTGEYUNJRY-APPZFPTMSA-N 1 0 320.618 2.050 10 0 DEAERO CO[C@]1(C[NH2+]Cc2ccc(O)c(Br)c2)CCOC1 ZINC000160104517 197386234 /nfs/dbraw/zinc/38/62/34/197386234.db2.gz JLBXCCIODOKNOV-ZDUSSCGKSA-N 1 0 316.195 2.050 10 0 DEAERO Nc1cc(NC(=O)CCC[NH+]2CCC(O)CC2)ccc1Cl ZINC000020555315 182231885 /nfs/dbraw/zinc/23/18/85/182231885.db2.gz NJIFAIIXOLSKQL-UHFFFAOYSA-N 1 0 311.813 2.098 10 0 DEAERO COc1cc(Br)cc(CNCC[NH+](C)C)c1OC ZINC000020968307 182256484 /nfs/dbraw/zinc/25/64/84/182256484.db2.gz GFCFYGVFWNYRTR-UHFFFAOYSA-N 1 0 317.227 2.118 10 0 DEAERO CCn1cc([C@H](C)NC(=O)NCCC2CC[NH+](CC)CC2)cn1 ZINC000454671986 246053774 /nfs/dbraw/zinc/05/37/74/246053774.db2.gz ZWFGUFJNDYHCCL-AWEZNQCLSA-N 1 0 321.469 2.385 10 0 DEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000267441036 206068925 /nfs/dbraw/zinc/06/89/25/206068925.db2.gz PDSWPAJXBIVFLT-BBWFWOEESA-N 1 0 304.434 2.467 10 0 DEAERO CCn1nc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C1CC1 ZINC000267427683 206059617 /nfs/dbraw/zinc/05/96/17/206059617.db2.gz BJPBCXNIQUZEDZ-CYBMUJFWSA-N 1 0 303.410 2.092 10 0 DEAERO CC[NH2+]C[C@@H](Cc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000097917357 193766294 /nfs/dbraw/zinc/76/62/94/193766294.db2.gz DNIGZOIBKNOTIK-CHWSQXEVSA-N 1 0 317.401 2.168 10 0 DEAERO Cc1cccc(C[NH+]2CCN(C[C@H](O)COC(C)(C)C)CC2)c1 ZINC000022922608 182340735 /nfs/dbraw/zinc/34/07/35/182340735.db2.gz IMSJLBKRERQRNJ-SFHVURJKSA-N 1 0 320.477 2.289 10 0 DEAERO CC1(OCC(=O)N2CCC[C@@H]2c2ccccc2Cl)C[NH2+]C1 ZINC000098060912 193780059 /nfs/dbraw/zinc/78/00/59/193780059.db2.gz NNAGKZNYFZMMPC-CQSZACIVSA-N 1 0 308.809 2.382 10 0 DEAERO COc1cccc([C@@H]2C[C@H]2NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000456544270 247266101 /nfs/dbraw/zinc/26/61/01/247266101.db2.gz ZDXXNXCYZQESTD-DLBZAZTESA-N 1 0 302.418 2.399 10 0 DEAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H](COC)c1ccccc1 ZINC000458245729 248227500 /nfs/dbraw/zinc/22/75/00/248227500.db2.gz VDAKEEHRGBXMDN-IAGOWNOFSA-N 1 0 319.449 2.500 10 0 DEAERO Cc1ccc([C@@H](C)CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000458432854 248307221 /nfs/dbraw/zinc/30/72/21/248307221.db2.gz XCYJPLROXDKOBZ-BHYGNILZSA-N 1 0 301.434 2.444 10 0 DEAERO COc1ccc([C@H](C(=O)NCC[NH+](C)C)C(C)C)cc1OC ZINC000040651909 183114067 /nfs/dbraw/zinc/11/40/67/183114067.db2.gz FAVJZTSCMCOIRO-MRXNPFEDSA-N 1 0 308.422 2.121 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)NCCOC)c1ccc(OC)cc1 ZINC000040654255 183114181 /nfs/dbraw/zinc/11/41/81/183114181.db2.gz BQLKLNXHDXLUEB-INIZCTEOSA-N 1 0 323.437 2.024 10 0 DEAERO Cc1cc(N(CCO)CCO)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570952 183103749 /nfs/dbraw/zinc/10/37/49/183103749.db2.gz YHEMNGCSZZHFRE-UHFFFAOYSA-N 1 0 314.307 2.353 10 0 DEAERO CC[NH+](CC)[C@@H](CNS(=O)(=O)CC)c1ccc(OC)cc1 ZINC000040614939 183108580 /nfs/dbraw/zinc/10/85/80/183108580.db2.gz TYVVAYVRBWLFOW-HNNXBMFYSA-N 1 0 314.451 2.017 10 0 DEAERO CN(CC(=O)Nc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746944 183128927 /nfs/dbraw/zinc/12/89/27/183128927.db2.gz QTDBGRIQYKKWBA-FUNVUKJBSA-N 1 0 307.825 2.493 10 0 DEAERO CN(C)Nc1[nH+]cnc(Nc2ccc(Br)cc2)c1N ZINC000040759964 183130798 /nfs/dbraw/zinc/13/07/98/183130798.db2.gz RLCPSXXDYJXBNX-UHFFFAOYSA-N 1 0 323.198 2.453 10 0 DEAERO C[C@H]([NH3+])c1noc(-c2cccc(I)c2)n1 ZINC000041052357 183159189 /nfs/dbraw/zinc/15/91/89/183159189.db2.gz XOBDERQONAHHFH-LURJTMIESA-N 1 0 315.114 2.361 10 0 DEAERO O=C(COc1cccc(Cl)c1Cl)N1CCC[NH2+]CC1 ZINC000041516856 183196748 /nfs/dbraw/zinc/19/67/48/183196748.db2.gz QBPCIILJDYKTEN-UHFFFAOYSA-N 1 0 303.189 2.194 10 0 DEAERO Cc1cc2c(n1[C@@]1(C)CCS(=O)(=O)C1)CC(C)(C)C[C@@H]2[NH3+] ZINC000041735209 183218418 /nfs/dbraw/zinc/21/84/18/183218418.db2.gz WDOPWVRJWBZWHS-BBRMVZONSA-N 1 0 310.463 2.302 10 0 DEAERO CCc1cccc(C)c1NC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000041604154 183209385 /nfs/dbraw/zinc/20/93/85/183209385.db2.gz MJVFUNUAOVLFQO-CQSZACIVSA-N 1 0 319.449 2.342 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccccc1SC ZINC000041604566 183209481 /nfs/dbraw/zinc/20/94/81/183209481.db2.gz ORWATPZWZQXJGQ-LBPRGKRZSA-N 1 0 323.462 2.194 10 0 DEAERO Cc1cc(C)cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000041664396 183213425 /nfs/dbraw/zinc/21/34/25/183213425.db2.gz RDKUYSZHBCNCFP-YIONKMFJSA-N 1 0 308.447 2.207 10 0 DEAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000042213866 183243995 /nfs/dbraw/zinc/24/39/95/183243995.db2.gz QGBRGRSFUBSGNA-DTWKUNHWSA-N 1 0 315.211 2.243 10 0 DEAERO CCNC(=O)[C@H](C)Oc1c(Br)cccc1C[NH2+]C ZINC000042411506 183265386 /nfs/dbraw/zinc/26/53/86/183265386.db2.gz NWGLQBKWBWFQNT-VIFPVBQESA-N 1 0 315.211 2.072 10 0 DEAERO CC[NH2+]Cc1cccc(Br)c1O[C@@H]1CCOC1=O ZINC000042411759 183266007 /nfs/dbraw/zinc/26/60/07/183266007.db2.gz DZGBIDDDMUBQNU-LLVKDONJSA-N 1 0 314.179 2.253 10 0 DEAERO CC(C)[N@H+](CCCO)[C@H](C)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000042482947 183275408 /nfs/dbraw/zinc/27/54/08/183275408.db2.gz LEBPKTKAJNXWSY-LLVKDONJSA-N 1 0 313.829 2.342 10 0 DEAERO C[C@@H](CNC(=O)c1cc(Br)cn1C)[NH+]1CCCC1 ZINC000042506246 183277712 /nfs/dbraw/zinc/27/77/12/183277712.db2.gz WUJJBPGOLRBUEV-JTQLQIEISA-N 1 0 314.227 2.002 10 0 DEAERO CC[N@H+](CCCOc1cccc(C(N)=S)c1)[C@@H](C)COC ZINC000042765884 183305945 /nfs/dbraw/zinc/30/59/45/183305945.db2.gz JOHKAWUYFDGESM-ZDUSSCGKSA-N 1 0 310.463 2.447 10 0 DEAERO COCCN([C@H](C)COC)[C@@H](C[NH3+])c1ccccc1Cl ZINC000042603169 183290656 /nfs/dbraw/zinc/29/06/56/183290656.db2.gz YSNSIMYCUQRUFG-DOMZBBRYSA-N 1 0 300.830 2.323 10 0 DEAERO C[NH2+]Cc1cc2c(cc1OCc1ncc(Cl)n1C)OCO2 ZINC000042874377 183315911 /nfs/dbraw/zinc/31/59/11/183315911.db2.gz IIOYNACEHGOFDY-UHFFFAOYSA-N 1 0 309.753 2.101 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1ccc(F)cc1 ZINC000042944044 183319470 /nfs/dbraw/zinc/31/94/70/183319470.db2.gz YZCCEOGMIXSIOA-ZWNOBZJWSA-N 1 0 307.398 2.351 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCC(C(N)=O)CC1 ZINC000042944575 183319499 /nfs/dbraw/zinc/31/94/99/183319499.db2.gz ULXRXZYXVMZHBZ-CABCVRRESA-N 1 0 309.841 2.316 10 0 DEAERO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCC[C@H](CO)C1 ZINC000042953780 183321860 /nfs/dbraw/zinc/32/18/60/183321860.db2.gz HZJMHROQHYBUFP-SMDDNHRTSA-N 1 0 313.239 2.153 10 0 DEAERO [NH3+]C[C@@H](c1ccc(Br)cc1)N1CCCC[C@@H]1CO ZINC000042954131 183322182 /nfs/dbraw/zinc/32/21/82/183322182.db2.gz DQYIPGPJPYFZMO-KGLIPLIRSA-N 1 0 313.239 2.296 10 0 DEAERO COc1ccccc1[C@@H](Sc1nnnn1C1CC1)[C@@H](C)[NH3+] ZINC000043101088 183338088 /nfs/dbraw/zinc/33/80/88/183338088.db2.gz DNNMBNQTVFQBSG-RNCFNFMXSA-N 1 0 305.407 2.197 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N1CCC(CC(N)=O)CC1 ZINC000043242773 183347291 /nfs/dbraw/zinc/34/72/91/183347291.db2.gz LVTAYUBLBGJUEV-CZUORRHYSA-N 1 0 309.479 2.422 10 0 DEAERO COc1ccc2ccccc2c1[C@@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000043300090 183352299 /nfs/dbraw/zinc/35/22/99/183352299.db2.gz KBYFAIVAUSEYKZ-WBMJQRKESA-N 1 0 305.399 2.283 10 0 DEAERO C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300564 183352389 /nfs/dbraw/zinc/35/23/89/183352389.db2.gz DQYYQVDHDFCBBO-JQWIXIFHSA-N 1 0 307.337 2.401 10 0 DEAERO Ic1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000043325229 183354843 /nfs/dbraw/zinc/35/48/43/183354843.db2.gz YDODSRRGWDKGIN-LLVKDONJSA-N 1 0 302.159 2.455 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1nnnn1C1CCCC1)c1cccnc1 ZINC000043351945 183356855 /nfs/dbraw/zinc/35/68/55/183356855.db2.gz WLERLNDMSQDGNV-GXFFZTMASA-N 1 0 304.423 2.364 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(S(C)(=O)=O)c1)C(F)(F)F ZINC000043385226 183358413 /nfs/dbraw/zinc/35/84/13/183358413.db2.gz DAHNVFGACRWVEC-GHMZBOCLSA-N 1 0 311.325 2.137 10 0 DEAERO COc1cc(CC[NH3+])cc(Cl)c1OCC(=O)OC(C)C ZINC000043446753 183364153 /nfs/dbraw/zinc/36/41/53/183364153.db2.gz BOVRBOQHYTVJSO-UHFFFAOYSA-N 1 0 301.770 2.180 10 0 DEAERO C[NH+](C)C(C)(C)CNc1nc2c(cc1C(N)=S)CCCC2 ZINC000043412111 183360926 /nfs/dbraw/zinc/36/09/26/183360926.db2.gz OUWAYPPSKLKCSJ-UHFFFAOYSA-N 1 0 306.479 2.347 10 0 DEAERO [NH3+][C@@H]1CCCc2cc(OCC(=O)NCC(F)(F)F)ccc21 ZINC000044732350 183436350 /nfs/dbraw/zinc/43/63/50/183436350.db2.gz NDAAUBCEPBJUQC-GFCCVEGCSA-N 1 0 302.296 2.080 10 0 DEAERO CC[NH+](CC)[C@H](C(=O)NCCc1nc(C)no1)c1ccccc1 ZINC000104049189 193976910 /nfs/dbraw/zinc/97/69/10/193976910.db2.gz UCLBFBHFLBKDPN-INIZCTEOSA-N 1 0 316.405 2.120 10 0 DEAERO C[N@H+](CCNC(=O)N[C@H]1COc2ccccc21)C1CCCC1 ZINC000104793296 194040492 /nfs/dbraw/zinc/04/04/92/194040492.db2.gz ZCTCOQXXQCNWGA-HNNXBMFYSA-N 1 0 303.406 2.294 10 0 DEAERO COCc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000105122307 194076261 /nfs/dbraw/zinc/07/62/61/194076261.db2.gz ICFYRBFFAXZRRU-KRWDZBQOSA-N 1 0 317.433 2.213 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2nc(C(C)(C)C)cs2)C1 ZINC000105296583 194093799 /nfs/dbraw/zinc/09/37/99/194093799.db2.gz MYEGUDGSUOZNTI-NSHDSACASA-N 1 0 310.467 2.286 10 0 DEAERO Clc1ncccc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000105802440 194131777 /nfs/dbraw/zinc/13/17/77/194131777.db2.gz VBCYKPGDCSGWCF-CYBMUJFWSA-N 1 0 303.797 2.284 10 0 DEAERO Cc1ncc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)s1 ZINC000105801717 194132833 /nfs/dbraw/zinc/13/28/33/194132833.db2.gz VNCWTSNKMYYUJD-UHFFFAOYSA-N 1 0 303.435 2.262 10 0 DEAERO COCC[N@@H+]1CCN(Cc2ccc(-n3ccnc3)cc2)C[C@H]1C ZINC000106108896 194187820 /nfs/dbraw/zinc/18/78/20/194187820.db2.gz GRUDXUVGYUVTCX-MRXNPFEDSA-N 1 0 314.433 2.025 10 0 DEAERO CCC1CCC(NS(=O)(=O)CCC2CC[NH2+]CC2)CC1 ZINC000049122538 183714133 /nfs/dbraw/zinc/71/41/33/183714133.db2.gz QVWLSUUVWPVQQK-UHFFFAOYSA-N 1 0 302.484 2.264 10 0 DEAERO FC(F)(F)COCC[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000049310849 183725480 /nfs/dbraw/zinc/72/54/80/183725480.db2.gz UBBVEUVMQHMBLC-UHFFFAOYSA-N 1 0 305.296 2.169 10 0 DEAERO CC[N@@H+]1CCC[C@@H](Nc2nc(Cl)c(C(=O)OC)s2)C1 ZINC000049231053 183720656 /nfs/dbraw/zinc/72/06/56/183720656.db2.gz LBOMCFVKARMVOS-MRVPVSSYSA-N 1 0 303.815 2.479 10 0 DEAERO CC(C)CCCOC[C@@H](O)C[NH2+][C@H](CC(C)C)CN(C)C ZINC000049555602 183741133 /nfs/dbraw/zinc/74/11/33/183741133.db2.gz WFARCODXNRGBKW-SJORKVTESA-N 1 0 302.503 2.366 10 0 DEAERO CN(Cc1ccc(Cl)s1)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049645006 183751001 /nfs/dbraw/zinc/75/10/01/183751001.db2.gz XNQOWQJYCVRONH-SNVBAGLBSA-N 1 0 322.883 2.163 10 0 DEAERO C[C@H](Cc1ccsc1)NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000049645682 183751754 /nfs/dbraw/zinc/75/17/54/183751754.db2.gz GDTMQLYDGIMTRB-OCCSQVGLSA-N 1 0 316.492 2.131 10 0 DEAERO O=S(=O)(c1ccc(C[NH2+]C2CC2)cc1)N1C[C@H]2CC[C@@H]1C2 ZINC000049717227 183755519 /nfs/dbraw/zinc/75/55/19/183755519.db2.gz PFKCHDYUHHROSC-DZGCQCFKSA-N 1 0 306.431 2.112 10 0 DEAERO Cc1ccccc1N(C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000049987410 183767133 /nfs/dbraw/zinc/76/71/33/183767133.db2.gz PSGMDEFROVOXRA-UHFFFAOYSA-N 1 0 304.415 2.420 10 0 DEAERO CCS(=O)(=O)NCCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000109324763 194256623 /nfs/dbraw/zinc/25/66/23/194256623.db2.gz IWEWOJJTQMSJAL-NSHDSACASA-N 1 0 304.843 2.272 10 0 DEAERO C[C@@H](O)C[NH2+]Cc1cc(Br)c(Br)o1 ZINC000050359389 183783041 /nfs/dbraw/zinc/78/30/41/183783041.db2.gz IIBGGGKHLWSGSO-RXMQYKEDSA-N 1 0 312.989 2.275 10 0 DEAERO CNc1ccc(Cl)c(C(=O)NC[C@H](C)[NH+]2CCCCC2)n1 ZINC000050788125 183803543 /nfs/dbraw/zinc/80/35/43/183803543.db2.gz RNSINWMYQYYMAS-NSHDSACASA-N 1 0 310.829 2.381 10 0 DEAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000109465711 194266684 /nfs/dbraw/zinc/26/66/84/194266684.db2.gz CKEPTFWPVRMIPA-UHFFFAOYSA-N 1 0 311.495 2.166 10 0 DEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]([NH3+])CCCOC ZINC000159342153 197346629 /nfs/dbraw/zinc/34/66/29/197346629.db2.gz ZGPKCXIQAYYPDW-AWEZNQCLSA-N 1 0 300.349 2.067 10 0 DEAERO Brc1ccc2sc(CN3CC[NH2+]CC3)nc2c1 ZINC000051640114 183832881 /nfs/dbraw/zinc/83/28/81/183832881.db2.gz MYSSBRGQAZZLAN-UHFFFAOYSA-N 1 0 312.236 2.464 10 0 DEAERO CCCC(CCC)(C(N)=S)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000110753380 194356175 /nfs/dbraw/zinc/35/61/75/194356175.db2.gz RRUWIGHWYHAMNE-UHFFFAOYSA-N 1 0 313.511 2.412 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCNC(=O)[C@@H]1C ZINC000110655168 194347415 /nfs/dbraw/zinc/34/74/15/194347415.db2.gz UVHKUFTZCGEXFG-SBMIAAHKSA-N 1 0 301.843 2.000 10 0 DEAERO COC(=O)c1cc(Cl)ccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306541 183933266 /nfs/dbraw/zinc/93/32/66/183933266.db2.gz JVXYEWOYQONFHH-SNVBAGLBSA-N 1 0 310.781 2.455 10 0 DEAERO COc1ccc(CN(C)[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000110926029 194369507 /nfs/dbraw/zinc/36/95/07/194369507.db2.gz JXYJOVOZSUOOFG-GFCCVEGCSA-N 1 0 300.349 2.480 10 0 DEAERO C[C@H]1CN(CCNc2ccc(Br)cc2)CC[N@@H+]1C ZINC000110755592 194357175 /nfs/dbraw/zinc/35/71/75/194357175.db2.gz YTGGJTZUGZBCKA-LBPRGKRZSA-N 1 0 312.255 2.497 10 0 DEAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000110928286 194370370 /nfs/dbraw/zinc/37/03/70/194370370.db2.gz CQYLBLMHSGUUCD-LLVKDONJSA-N 1 0 322.352 2.078 10 0 DEAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(C)ccc1F ZINC000110942518 194371740 /nfs/dbraw/zinc/37/17/40/194371740.db2.gz IRKVFCQAUBPGEC-CYBMUJFWSA-N 1 0 314.426 2.287 10 0 DEAERO CCCCCC[C@H](C[NH2+]CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000054639410 183947114 /nfs/dbraw/zinc/94/71/14/183947114.db2.gz YCZHGBQQBVAFAF-HUUCEWRRSA-N 1 0 305.484 2.244 10 0 DEAERO COc1cccc(CN(C)c2cc(NN)[nH+]c(SC)n2)c1 ZINC000159314018 197344877 /nfs/dbraw/zinc/34/48/77/197344877.db2.gz IBXOBOYTBLPFHQ-UHFFFAOYSA-N 1 0 305.407 2.129 10 0 DEAERO CCCN[C@@](C)(CC[N@H+](CC)CCOCC)C(=O)OCC ZINC000111121698 194391785 /nfs/dbraw/zinc/39/17/85/194391785.db2.gz ZSJHMDVWDLQXGI-INIZCTEOSA-N 1 0 302.459 2.056 10 0 DEAERO CCOCC[N@H+](CC)CC[C@@](C)(NC(C)C)C(=O)OCC ZINC000111122176 194393603 /nfs/dbraw/zinc/39/36/03/194393603.db2.gz POJKAHUTLNMQIN-MRXNPFEDSA-N 1 0 302.459 2.055 10 0 DEAERO CN(CC[NH+](C)C)c1ccc(C(N)=S)c(C(F)(F)F)c1 ZINC000111138975 194394700 /nfs/dbraw/zinc/39/47/00/194394700.db2.gz RHEMFXRJAVKKEJ-UHFFFAOYSA-N 1 0 305.369 2.337 10 0 DEAERO CCCNc1ccc(S(=O)(=O)N(C)CCC[NH+](C)C)cc1 ZINC000111151175 194396734 /nfs/dbraw/zinc/39/67/34/194396734.db2.gz ULYAHNRYSRXYMY-UHFFFAOYSA-N 1 0 313.467 2.081 10 0 DEAERO CC[N@@H+]1CCC[C@@H](Nc2cncc(-n3nc(C)cc3C)n2)C1 ZINC000112075876 194430518 /nfs/dbraw/zinc/43/05/18/194430518.db2.gz TXNLJNZSAULFRB-CQSZACIVSA-N 1 0 300.410 2.175 10 0 DEAERO CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CC(C)(C)C)CC1 ZINC000057863633 184058331 /nfs/dbraw/zinc/05/83/31/184058331.db2.gz FKGFUJBHICEHAV-MRXNPFEDSA-N 1 0 323.481 2.014 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(F)cc1F ZINC000058561860 184122532 /nfs/dbraw/zinc/12/25/32/184122532.db2.gz ZFGXPYFNWJKFJC-NSHDSACASA-N 1 0 318.389 2.118 10 0 DEAERO Cc1cccc(NC(=O)CN2CCC[N@@H+](C3CC3)CC2)c1C ZINC000061040946 184160587 /nfs/dbraw/zinc/16/05/87/184160587.db2.gz FLLKBDBNVHDTNC-UHFFFAOYSA-N 1 0 301.434 2.412 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000061290291 184167565 /nfs/dbraw/zinc/16/75/65/184167565.db2.gz CGSYTAMUNJDDPW-QWRGUYRKSA-N 1 0 310.360 2.381 10 0 DEAERO CC[NH2+]CCC(=O)Nc1cc(Br)ccc1N(C)C ZINC000061292627 184167782 /nfs/dbraw/zinc/16/77/82/184167782.db2.gz CTXFWOGQOAVRJE-UHFFFAOYSA-N 1 0 314.227 2.453 10 0 DEAERO Cc1ccc([C@H](Sc2n[nH]c(=O)n2C2CC2)[C@H](C)[NH3+])s1 ZINC000061594696 184175998 /nfs/dbraw/zinc/17/59/98/184175998.db2.gz WLCQLFYLHHVTTR-GZMMTYOYSA-N 1 0 310.448 2.457 10 0 DEAERO Cc1ccccc1[C@H](Sc1n[nH]c(=O)n1C1CC1)[C@@H](C)[NH3+] ZINC000061594582 184176126 /nfs/dbraw/zinc/17/61/26/184176126.db2.gz QUONLXHXCYOWHB-ZWNOBZJWSA-N 1 0 304.419 2.395 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1cccc(F)c1 ZINC000061594719 184176189 /nfs/dbraw/zinc/17/61/89/184176189.db2.gz NRUHVLYBKXRGHO-PELKAZGASA-N 1 0 308.382 2.226 10 0 DEAERO [NH3+]C[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccc(Cl)cc1 ZINC000061594591 184176197 /nfs/dbraw/zinc/17/61/97/184176197.db2.gz FBLOXUXMBBGEHS-NSHDSACASA-N 1 0 310.810 2.352 10 0 DEAERO CC[C@H](Oc1ccc(Br)cc1[C@H](C)[NH3+])C(N)=O ZINC000061676070 184181745 /nfs/dbraw/zinc/18/17/45/184181745.db2.gz QQELFQFMCWRCSC-XVKPBYJWSA-N 1 0 301.184 2.112 10 0 DEAERO C[NH2+][C@@H]1CCN(c2cc(Br)ccc2Cl)C1=O ZINC000061691687 184182796 /nfs/dbraw/zinc/18/27/96/184182796.db2.gz MISLSECCKGPAGK-SECBINFHSA-N 1 0 303.587 2.427 10 0 DEAERO C[C@@H](CC(N)=O)C[C@H]([NH3+])c1cc2c(cc1Cl)OCCCO2 ZINC000061830312 184188696 /nfs/dbraw/zinc/18/86/96/184188696.db2.gz LXGLRGVYGQQIFM-SKDRFNHKSA-N 1 0 312.797 2.403 10 0 DEAERO [NH3+]Cc1ccccc1CNC(=O)c1ccc(Br)o1 ZINC000061841075 184189184 /nfs/dbraw/zinc/18/91/84/184189184.db2.gz BJIKFDGYTPLSOD-UHFFFAOYSA-N 1 0 309.163 2.431 10 0 DEAERO C[NH2+][C@H]1CCCCC[C@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000061947743 184197909 /nfs/dbraw/zinc/19/79/09/184197909.db2.gz MRSHISGUQDKDLR-KBPBESRZSA-N 1 0 307.404 2.335 10 0 DEAERO COC(=O)CC[C@@H]([NH3+])Cc1cc(Br)ccc1OC ZINC000061893216 184193184 /nfs/dbraw/zinc/19/31/84/184193184.db2.gz YBDKTIXRKNOTHJ-LLVKDONJSA-N 1 0 316.195 2.281 10 0 DEAERO CC(C)C[NH2+]Cc1ccc(OCC(N)=O)c(Br)c1 ZINC000062728048 184250703 /nfs/dbraw/zinc/25/07/03/184250703.db2.gz NNPJWRNEDCCCQD-UHFFFAOYSA-N 1 0 315.211 2.059 10 0 DEAERO CCCN(CCO)c1cccc(Cl)c1C[NH2+]CCOC ZINC000062736940 184251025 /nfs/dbraw/zinc/25/10/25/184251025.db2.gz JDXCJSBOUXRJBC-UHFFFAOYSA-N 1 0 300.830 2.285 10 0 DEAERO COCC[NH2+]Cc1ccc(O[C@H](C)C(=O)OC)c(Cl)c1 ZINC000062730581 184251198 /nfs/dbraw/zinc/25/11/98/184251198.db2.gz CHUSUDJPOODJAI-SNVBAGLBSA-N 1 0 301.770 2.016 10 0 DEAERO CC(C)C[NH2+]Cc1c(N2CCC[C@@H]2CO)nc2sccn12 ZINC000062736779 184251287 /nfs/dbraw/zinc/25/12/87/184251287.db2.gz ZFUCPNQEUVJYJT-GFCCVEGCSA-N 1 0 308.451 2.103 10 0 DEAERO CCC[NH2+][C@H]1CCc2c1cccc2O[C@H]1CCS(=O)(=O)C1 ZINC000062799839 184253544 /nfs/dbraw/zinc/25/35/44/184253544.db2.gz XDBWKDNXEBHZJL-WFASDCNBSA-N 1 0 309.431 2.239 10 0 DEAERO C[C@]1(C(=O)Nc2cccc(Cl)c2-n2ccnc2)CC[NH2+]C1 ZINC000062891772 184258347 /nfs/dbraw/zinc/25/83/47/184258347.db2.gz YPLCGLHODRDQHT-HNNXBMFYSA-N 1 0 304.781 2.464 10 0 DEAERO COc1ccc(NC(=O)[C@]2(C)CC[NH2+]C2)cc1OC(F)F ZINC000062893580 184259059 /nfs/dbraw/zinc/25/90/59/184259059.db2.gz MHLGSLSVSOGUCS-CQSZACIVSA-N 1 0 300.305 2.235 10 0 DEAERO CC[NH2+][C@H](CCSc1ccc(C(F)(F)F)cn1)C(N)=O ZINC000062599038 184244701 /nfs/dbraw/zinc/24/47/01/184244701.db2.gz ACKKDKFGUWLZHM-SECBINFHSA-N 1 0 307.341 2.046 10 0 DEAERO CC(C)[NH2+][C@H](CCSc1ccc(C(F)(F)F)cn1)C(N)=O ZINC000062599067 184245081 /nfs/dbraw/zinc/24/50/81/184245081.db2.gz DORWLXDRGQRELP-SNVBAGLBSA-N 1 0 321.368 2.435 10 0 DEAERO CCC[NH2+]Cc1nnnn1-c1cc(C(F)(F)F)ccc1F ZINC000062664953 184246935 /nfs/dbraw/zinc/24/69/35/184246935.db2.gz AZXRZOUSTBGCRY-UHFFFAOYSA-N 1 0 303.263 2.320 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000063194228 184277755 /nfs/dbraw/zinc/27/77/55/184277755.db2.gz AMOBMSVNHTYLAC-CABZTGNLSA-N 1 0 320.817 2.370 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)NCc1ccccc1Cl ZINC000063195174 184278014 /nfs/dbraw/zinc/27/80/14/184278014.db2.gz MVKJCBLZZNBNCZ-DOMZBBRYSA-N 1 0 309.841 2.158 10 0 DEAERO CCN(CC)c1ccc(NS(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC000062996940 184264879 /nfs/dbraw/zinc/26/48/79/184264879.db2.gz VDLMRRYAYMJIDB-UHFFFAOYSA-N 1 0 311.451 2.027 10 0 DEAERO CCN(CC)c1ccc(NS(=O)(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000062996937 184265098 /nfs/dbraw/zinc/26/50/98/184265098.db2.gz MDACIYQEWJWTAC-HNNXBMFYSA-N 1 0 311.451 2.027 10 0 DEAERO CS(=O)(=O)c1ccc(SCc2ccc[nH+]c2NN)cc1 ZINC000063131986 184272181 /nfs/dbraw/zinc/27/21/81/184272181.db2.gz AHKRWYCVMZADRD-UHFFFAOYSA-N 1 0 309.416 2.063 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1CC(=O)NCc1ccc(Cl)cc1 ZINC000063168866 184275639 /nfs/dbraw/zinc/27/56/39/184275639.db2.gz HSUPMBFVYVVJEJ-HNNXBMFYSA-N 1 0 309.841 2.030 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1cc(Br)ccc1F ZINC000063172366 184276052 /nfs/dbraw/zinc/27/60/52/184276052.db2.gz TWUZOUFGTKODIE-WDEREUQCSA-N 1 0 301.159 2.198 10 0 DEAERO COCCN(C(=O)c1nc(C(C)C)oc1C)C1CC[NH+](C)CC1 ZINC000065293522 184323783 /nfs/dbraw/zinc/32/37/83/184323783.db2.gz NKICGMSIWNVMTL-UHFFFAOYSA-N 1 0 323.437 2.289 10 0 DEAERO COc1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1CNC(=O)C3)CCC2 ZINC000065467647 184350698 /nfs/dbraw/zinc/35/06/98/184350698.db2.gz HRYQOBLXCNKHBY-CVEARBPZSA-N 1 0 300.402 2.037 10 0 DEAERO CCCC[NH2+]CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 ZINC000066213974 184397190 /nfs/dbraw/zinc/39/71/90/184397190.db2.gz MWDAVYWHZINVET-UHFFFAOYSA-N 1 0 305.422 2.036 10 0 DEAERO CC(C)[C@@H](CNC(=O)NCC1(C)COC1)[NH+]1CCC(C)CC1 ZINC000112715472 194510697 /nfs/dbraw/zinc/51/06/97/194510697.db2.gz CYOPDJWIAGKLQM-OAHLLOKOSA-N 1 0 311.470 2.079 10 0 DEAERO CC[NH2+][C@H](c1cccc2cccnc21)[C@H]1CCS(=O)(=O)C1 ZINC000069501222 184520658 /nfs/dbraw/zinc/52/06/58/184520658.db2.gz RSWVYHVAPTUKJE-BBRMVZONSA-N 1 0 304.415 2.320 10 0 DEAERO CC(=O)N1CCC(C[NH2+][C@H](C)c2cn3ccccc3n2)CC1 ZINC000556235872 291815883 /nfs/dbraw/zinc/81/58/83/291815883.db2.gz HMVAGPNPBXRXEO-CYBMUJFWSA-N 1 0 300.406 2.243 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000247535463 285025274 /nfs/dbraw/zinc/02/52/74/285025274.db2.gz XXTIGUDCYZBRHA-ZJIFWQFVSA-N 1 0 311.470 2.221 10 0 DEAERO CCN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000262089207 285037082 /nfs/dbraw/zinc/03/70/82/285037082.db2.gz UPNAAGFYTQNJLU-AEFFLSMTSA-N 1 0 301.434 2.113 10 0 DEAERO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329045873 296357147 /nfs/dbraw/zinc/35/71/47/296357147.db2.gz UWBOQNILSZDTFO-SCFUHWHPSA-N 1 0 316.449 2.393 10 0 DEAERO CCN(C[C@H]1CC[N@@H+]([C@H](C(=O)OC)C2CC2)C1)CC(F)(F)F ZINC000359607059 285090045 /nfs/dbraw/zinc/09/00/45/285090045.db2.gz ZSONJTQRQMDASI-YPMHNXCESA-N 1 0 322.371 2.144 10 0 DEAERO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000540143610 285110209 /nfs/dbraw/zinc/11/02/09/285110209.db2.gz TUZLWJQIKPGPEU-CYBMUJFWSA-N 1 0 300.406 2.489 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@H]2C(C)C)cc(C[NH3+])c1F ZINC000159123885 197329677 /nfs/dbraw/zinc/32/96/77/197329677.db2.gz HPNUPNHDQWYDHJ-AWEZNQCLSA-N 1 0 314.426 2.402 10 0 DEAERO COCCOCCCC[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000159122178 197329028 /nfs/dbraw/zinc/32/90/28/197329028.db2.gz HHQRMZARWISGLJ-GJZGRUSLSA-N 1 0 303.468 2.074 10 0 DEAERO COCCOCCCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000159097676 197326173 /nfs/dbraw/zinc/32/61/73/197326173.db2.gz WSVYPRFYGQHWSH-OAHLLOKOSA-N 1 0 301.814 2.406 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000540515902 285119461 /nfs/dbraw/zinc/11/94/61/285119461.db2.gz ILLIALYUJORVQH-UHFFFAOYSA-N 1 0 322.434 2.141 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cccnc1OCC(F)(F)F ZINC000540518270 285119928 /nfs/dbraw/zinc/11/99/28/285119928.db2.gz VRNLKAFZVTWJGI-UHFFFAOYSA-N 1 0 319.327 2.046 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc(F)cc1F ZINC000158998901 197318141 /nfs/dbraw/zinc/31/81/41/197318141.db2.gz YNIPKEIWVQGVNJ-MFKMUULPSA-N 1 0 318.389 2.021 10 0 DEAERO C[NH+](C)CCc1noc(-c2cc(C(F)(F)F)ccc2N)n1 ZINC000158683726 197294296 /nfs/dbraw/zinc/29/42/96/197294296.db2.gz RVQPVYYEYURYFT-UHFFFAOYSA-N 1 0 300.284 2.442 10 0 DEAERO CC[NH2+]Cc1sccc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000158754935 197299363 /nfs/dbraw/zinc/29/93/63/197299363.db2.gz OHWKDIIEHBNOHG-RYUDHWBXSA-N 1 0 314.476 2.278 10 0 DEAERO COc1cnn(CC[NH+](C)C)c1[C@H](O)c1sccc1Cl ZINC000158760963 197298679 /nfs/dbraw/zinc/29/86/79/197298679.db2.gz NNXZEMTUQVIDJW-LBPRGKRZSA-N 1 0 315.826 2.250 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)c1ccc(C)cc1C)[C@H]1CCOC1 ZINC000158737259 197298128 /nfs/dbraw/zinc/29/81/28/197298128.db2.gz IBFZFGFDTIWIEZ-LSDHHAIUSA-N 1 0 311.447 2.092 10 0 DEAERO [NH3+][C@H](CS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000158740898 197297967 /nfs/dbraw/zinc/29/79/67/197297967.db2.gz UWWHAPMHUOJHQG-LDYMZIIASA-N 1 0 324.229 2.131 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)c1cc(C)ccc1C)[C@H]1CCOC1 ZINC000158734414 197296890 /nfs/dbraw/zinc/29/68/90/197296890.db2.gz BCPRLACFAZLSEP-LSDHHAIUSA-N 1 0 311.447 2.092 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cnn(C2CCOCC2)c1C ZINC000158391517 197268471 /nfs/dbraw/zinc/26/84/71/197268471.db2.gz AUKHGBLJNPMSGN-CYBMUJFWSA-N 1 0 322.453 2.003 10 0 DEAERO CC1CC(=O)N(c2ccc(C(F)(F)F)cc2C[NH3+])C(=O)C1 ZINC000158345542 197264118 /nfs/dbraw/zinc/26/41/18/197264118.db2.gz PEUGYTSUEITBBB-UHFFFAOYSA-N 1 0 300.280 2.454 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000158221193 197254459 /nfs/dbraw/zinc/25/44/59/197254459.db2.gz SGBPMEFTLDTNSV-QGZVFWFLSA-N 1 0 308.470 2.188 10 0 DEAERO O=C(NCc1cscn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000158175707 197250441 /nfs/dbraw/zinc/25/04/41/197250441.db2.gz CIEUMBBUEKBFPC-CQSZACIVSA-N 1 0 308.451 2.303 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(F)cc2)CC1 ZINC000158135896 197246546 /nfs/dbraw/zinc/24/65/46/197246546.db2.gz DZMSLLPCIQQPFD-UHFFFAOYSA-N 1 0 321.396 2.001 10 0 DEAERO CC(C)OCCN(C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000157828416 197218756 /nfs/dbraw/zinc/21/87/56/197218756.db2.gz FEFYQILNXINCII-SNVBAGLBSA-N 1 0 305.216 2.399 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCCCOCC(C)C)CC1 ZINC000157689028 197207785 /nfs/dbraw/zinc/20/77/85/197207785.db2.gz JTVNATZKNMUBEA-UHFFFAOYSA-N 1 0 313.486 2.470 10 0 DEAERO CCn1ccnc(Oc2ccc(Br)cc2C[NH3+])c1=O ZINC000157525735 197194466 /nfs/dbraw/zinc/19/44/66/197194466.db2.gz PZNPMVJKJNRGTN-UHFFFAOYSA-N 1 0 324.178 2.277 10 0 DEAERO C[N@H+](CC(=O)NCc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1O ZINC000157332660 197179884 /nfs/dbraw/zinc/17/98/84/197179884.db2.gz DJKICWPQRNQZIS-CABCVRRESA-N 1 0 310.825 2.192 10 0 DEAERO Cc1c(C[NH2+]C2CC2)cccc1S(=O)(=O)N(C)CC(F)F ZINC000157161052 197166868 /nfs/dbraw/zinc/16/68/68/197166868.db2.gz VNPWDSFCVFTGDM-UHFFFAOYSA-N 1 0 318.389 2.133 10 0 DEAERO Cn1cc([C@@H](C[NH3+])Oc2cc(F)cc(Br)c2)cn1 ZINC000157211642 197170027 /nfs/dbraw/zinc/17/00/27/197170027.db2.gz WUZFHNGUMJPHPE-GFCCVEGCSA-N 1 0 314.158 2.401 10 0 DEAERO O[C@@H](Cc1cccc(F)c1Br)[C@H]1CCC[NH2+]C1 ZINC000157135099 197164854 /nfs/dbraw/zinc/16/48/54/197164854.db2.gz WZORQHZNJKDJNY-JQWIXIFHSA-N 1 0 302.187 2.491 10 0 DEAERO O=[S@](C[C@H]1CCC[NH2+]C1)c1nc2ccccc2nc1Cl ZINC000095069782 285191601 /nfs/dbraw/zinc/19/16/01/285191601.db2.gz KXRAJQIWDMERPB-FVINQWEUSA-N 1 0 309.822 2.390 10 0 DEAERO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2nc3cc(F)ccc3o2)C1 ZINC000156718320 197136077 /nfs/dbraw/zinc/13/60/77/197136077.db2.gz ONGXXNGXVPIVBJ-LBPRGKRZSA-N 1 0 305.353 2.267 10 0 DEAERO [NH3+]Cc1ccc([C@@H](O)C[S@](=O)c2ccc(F)cc2F)cc1 ZINC000155987050 197078186 /nfs/dbraw/zinc/07/81/86/197078186.db2.gz ILJBYTMRMNOHIK-LHSJRXKWSA-N 1 0 311.353 2.265 10 0 DEAERO C[C@@H]1CCC[C@@]2(CSC(NC[C@@H]3CCCS3(=O)=O)=[NH+]2)C1 ZINC000155416865 197052963 /nfs/dbraw/zinc/05/29/63/197052963.db2.gz DGVPEWQYSCBBCN-DYEKYZERSA-N 1 0 316.492 2.205 10 0 DEAERO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000120354661 195150229 /nfs/dbraw/zinc/15/02/29/195150229.db2.gz DKQHTQLZHICHTC-MGPQQGTHSA-N 1 0 323.234 2.421 10 0 DEAERO C[NH2+]CCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000120458106 195170976 /nfs/dbraw/zinc/17/09/76/195170976.db2.gz WBYHXQQPJQKTMV-CHWSQXEVSA-N 1 0 311.223 2.230 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccccc2Cl)CC[N@@H+]1C ZINC000120622060 195204127 /nfs/dbraw/zinc/20/41/27/195204127.db2.gz KTHPQZRUKXNRRM-NEPJUHHUSA-N 1 0 323.824 2.220 10 0 DEAERO COc1ccc(O)c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000120810432 195242044 /nfs/dbraw/zinc/24/20/44/195242044.db2.gz DQOGIFCWPVTWIQ-CYBMUJFWSA-N 1 0 306.406 2.251 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCc2ccc(Cl)nc2)[C@@H](C)C1 ZINC000120826222 195245802 /nfs/dbraw/zinc/24/58/02/195245802.db2.gz ADVUMVCAYGPTDM-JSGCOSHPSA-N 1 0 324.856 2.305 10 0 DEAERO C[NH+](C)C1CCN(C(=O)COc2ccc3c(c2)CCCC3)CC1 ZINC000120848673 195250295 /nfs/dbraw/zinc/25/02/95/195250295.db2.gz VCFDRLMTRBSOKC-UHFFFAOYSA-N 1 0 316.445 2.497 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N(C)CCC[NH+](C)C)[C@H](C)[C@@H]1OC ZINC000543683305 285302504 /nfs/dbraw/zinc/30/25/04/285302504.db2.gz IJJZJSZIKJTOKO-ZNMIVQPWSA-N 1 0 313.486 2.419 10 0 DEAERO Cc1cccnc1CC[NH2+]Cc1c(Br)cnn1C ZINC000294946106 224330696 /nfs/dbraw/zinc/33/06/96/224330696.db2.gz HGAFJJPVRWVAMH-UHFFFAOYSA-N 1 0 309.211 2.218 10 0 DEAERO CC1=N[C@]2(CC[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]32)C(=O)N1C ZINC000248052186 257109714 /nfs/dbraw/zinc/10/97/14/257109714.db2.gz RKDQXIRCCDMYGZ-SCTDSRPQSA-N 1 0 311.429 2.466 10 0 DEAERO CC(C)NC(=O)[C@]12CCO[C@H]1CC[N@H+](Cc1ccsc1)C2 ZINC000247968952 257112674 /nfs/dbraw/zinc/11/26/74/257112674.db2.gz CMQNJCLLWACTCS-HOCLYGCPSA-N 1 0 308.447 2.254 10 0 DEAERO c1cc(C[N@H+]2C[C@H]3COC[C@@]3(COCc3ccncc3)C2)co1 ZINC000247903013 257115117 /nfs/dbraw/zinc/11/51/17/257115117.db2.gz WKGCQJPNKHJEDQ-ROUUACIJSA-N 1 0 314.385 2.340 10 0 DEAERO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CC[N@@H+]3Cc2ccccn2)n1 ZINC000247874915 257115436 /nfs/dbraw/zinc/11/54/36/257115436.db2.gz NOWWFJYTRWGINQ-MSOLQXFVSA-N 1 0 322.412 2.160 10 0 DEAERO O=C(C1CCCC1)N1C[C@H]2CCN(CC[NH+]3CCCC3)C[C@H]2C1 ZINC000247833543 257116391 /nfs/dbraw/zinc/11/63/91/257116391.db2.gz LWEMOGNOLGOTAM-MSOLQXFVSA-N 1 0 319.493 2.053 10 0 DEAERO c1cncc(O[C@@H]2C[N@@H+](Cc3ccncc3)[C@@H]3CCCO[C@@H]23)c1 ZINC000247816216 257117377 /nfs/dbraw/zinc/11/73/77/257117377.db2.gz CZWMMNJVBOVOGV-KZNAEPCWSA-N 1 0 311.385 2.287 10 0 DEAERO CO[C@@H]1CCN(C2CCC2)[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000247811271 257118116 /nfs/dbraw/zinc/11/81/16/257118116.db2.gz CQSHAZBSLGEMQT-FGTMMUONSA-N 1 0 301.434 2.155 10 0 DEAERO O=C(NCC1CC1)[C@@H]1C[C@H]2CC[N@@H+](C3CCCCC3)C[C@@H]2O1 ZINC000247475559 257119353 /nfs/dbraw/zinc/11/93/53/257119353.db2.gz HAJWYWRPOVDCMJ-PVAVHDDUSA-N 1 0 306.450 2.325 10 0 DEAERO O=C1CCCN1[C@@H]1C[N@@H+](Cc2cccc(F)c2)[C@@H]2CCCO[C@H]12 ZINC000253616720 257104877 /nfs/dbraw/zinc/10/48/77/257104877.db2.gz AQAXYTSJGPSPHM-NUJGCVRESA-N 1 0 318.392 2.180 10 0 DEAERO CO[C@@H]1CCN(Cc2nc(C)cs2)[C@@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000503720882 257208612 /nfs/dbraw/zinc/20/86/12/257208612.db2.gz WQFHZTGYKHVSTK-BZUAXINKSA-N 1 0 321.490 2.383 10 0 DEAERO CC(C)CCn1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)nn1 ZINC000151343677 196667711 /nfs/dbraw/zinc/66/77/11/196667711.db2.gz NKYHKHMKJWHFBU-CQSZACIVSA-N 1 0 309.458 2.030 10 0 DEAERO Cc1cc(N2CC[C@H]([NH2+][C@H]3CC[C@@H]3C3CCC3)C2=O)n(C)n1 ZINC000560941452 291949554 /nfs/dbraw/zinc/94/95/54/291949554.db2.gz BBENSZJCDAGMEL-ILXRZTDVSA-N 1 0 302.422 2.002 10 0 DEAERO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000120952130 195270868 /nfs/dbraw/zinc/27/08/68/195270868.db2.gz JPWZULNMERBOMO-JKSUJKDBSA-N 1 0 303.450 2.198 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CSCc1ccncc1 ZINC000120955401 195271375 /nfs/dbraw/zinc/27/13/75/195271375.db2.gz JNZYAZHJSAMFNY-OAHLLOKOSA-N 1 0 309.479 2.407 10 0 DEAERO Cc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)COC2CCOCC2)cc1 ZINC000121660504 195325297 /nfs/dbraw/zinc/32/52/97/195325297.db2.gz MEIPAXMWGINASA-AEFFLSMTSA-N 1 0 321.461 2.414 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1F ZINC000121825723 195355175 /nfs/dbraw/zinc/35/51/75/195355175.db2.gz ZBMCOPOVVFEYDK-AWEZNQCLSA-N 1 0 323.412 2.165 10 0 DEAERO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000121829132 195356437 /nfs/dbraw/zinc/35/64/37/195356437.db2.gz SHFMFGMIDAHEFY-ZDUSSCGKSA-N 1 0 323.412 2.165 10 0 DEAERO CC(C)[C@H]1N[C@@H](c2cccs2)N(CC[NH+]2CCCC2)C1=O ZINC000123420200 195579913 /nfs/dbraw/zinc/57/99/13/195579913.db2.gz AWQVWGGXMPVURU-HUUCEWRRSA-N 1 0 307.463 2.299 10 0 DEAERO CC[C@@H]1CN(c2cc(Br)ccc2C(N)=[NH2+])CCO1 ZINC000124179879 195612549 /nfs/dbraw/zinc/61/25/49/195612549.db2.gz IHTDXDYUTCZUAO-SNVBAGLBSA-N 1 0 312.211 2.348 10 0 DEAERO Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(C(N)=O)CC3)C2)cc1 ZINC000125446093 195750573 /nfs/dbraw/zinc/75/05/73/195750573.db2.gz VJRSIAFIJTYTCZ-INIZCTEOSA-N 1 0 316.449 2.097 10 0 DEAERO CCc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)oc1CC ZINC000125891209 195793289 /nfs/dbraw/zinc/79/32/89/195793289.db2.gz FCXCITGPDZITBN-UHFFFAOYSA-N 1 0 308.422 2.245 10 0 DEAERO CCC(CC)CNS(=O)(=O)c1ccc(C[NH2+]C2CC2)cn1 ZINC000125680935 195775659 /nfs/dbraw/zinc/77/56/59/195775659.db2.gz OLAOWORVVYMRPD-UHFFFAOYSA-N 1 0 311.451 2.048 10 0 DEAERO CC(C)(C[NH2+]C[C@H](O)COC[C@H]1CCCO1)c1cccs1 ZINC000127643583 195897010 /nfs/dbraw/zinc/89/70/10/195897010.db2.gz NAVPQNPWFODNHY-UONOGXRCSA-N 1 0 313.463 2.172 10 0 DEAERO CCS(=O)(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000127649439 195897545 /nfs/dbraw/zinc/89/75/45/195897545.db2.gz LHRKGIYGRFFGCP-LLVKDONJSA-N 1 0 304.843 2.320 10 0 DEAERO C=Cn1cc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)cn1 ZINC000194365159 132537931 /nfs/dbraw/zinc/53/79/31/132537931.db2.gz BFXNRSDTLLMGMO-ZDUSSCGKSA-N 1 0 303.797 2.401 10 0 DEAERO Cn1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c(-c2cccs2)n1 ZINC000245654163 132568612 /nfs/dbraw/zinc/56/86/12/132568612.db2.gz IJODIUKPFMGMIA-AWEZNQCLSA-N 1 0 302.447 2.429 10 0 DEAERO CC[C@@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242592 542770265 /nfs/dbraw/zinc/77/02/65/542770265.db2.gz JKLLRCOUUPJYEQ-WBMJQRKESA-N 1 0 308.426 2.084 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)Cc2ccn(C(C)C)n2)C1 ZINC000355409911 133024811 /nfs/dbraw/zinc/02/48/11/133024811.db2.gz GGFAQUPMJBLAKT-GOEBONIOSA-N 1 0 306.454 2.243 10 0 DEAERO c1ccc(OCCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000357668393 133092645 /nfs/dbraw/zinc/09/26/45/133092645.db2.gz VDILGCNJDOWEKM-UHFFFAOYSA-N 1 0 312.417 2.458 10 0 DEAERO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(c2ccccc2)CC1 ZINC000358141656 133124187 /nfs/dbraw/zinc/12/41/87/133124187.db2.gz PWVOIIBTKVDIGA-INIZCTEOSA-N 1 0 318.465 2.247 10 0 DEAERO C[C@@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000358142825 133124256 /nfs/dbraw/zinc/12/42/56/133124256.db2.gz RMWBTJASKRJCEE-MRXNPFEDSA-N 1 0 315.461 2.282 10 0 DEAERO COCCOc1cccc(C[NH2+]CCN2CC=C(C)CC2)c1 ZINC000358146490 133124291 /nfs/dbraw/zinc/12/42/91/133124291.db2.gz XDTKNTNEKJDUHN-UHFFFAOYSA-N 1 0 304.434 2.453 10 0 DEAERO COc1cccc(CCNC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000358179684 133126151 /nfs/dbraw/zinc/12/61/51/133126151.db2.gz APMBTBVEJYNKMQ-UHFFFAOYSA-N 1 0 317.433 2.189 10 0 DEAERO Cc1ccc(CCNC(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000358189862 133127197 /nfs/dbraw/zinc/12/71/97/133127197.db2.gz MQQIFYZIWKEZFM-UHFFFAOYSA-N 1 0 301.434 2.489 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCCCOC2CCCC2)CC1 ZINC000358208915 133128378 /nfs/dbraw/zinc/12/83/78/133128378.db2.gz GUSPXCBBRMRRCH-UHFFFAOYSA-N 1 0 309.454 2.287 10 0 DEAERO CC1CC[NH+](CCN2CCO[C@@H](COc3ccccc3)C2)CC1 ZINC000361989961 133203777 /nfs/dbraw/zinc/20/37/77/133203777.db2.gz ZGLWUPGVNCCUIQ-LJQANCHMSA-N 1 0 318.461 2.498 10 0 DEAERO CCN(C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCOC1 ZINC000362017357 133205565 /nfs/dbraw/zinc/20/55/65/133205565.db2.gz UKXKNLUQCFQUJQ-CVEARBPZSA-N 1 0 309.454 2.071 10 0 DEAERO C[C@@H]1CCC[C@](CNC(=O)N2CCOCC[C@@H]2C)([NH+](C)C)C1 ZINC000371425709 296492499 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C[C@@H]1OCCC[C@@H]1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000249906208 145191964 /nfs/dbraw/zinc/19/19/64/145191964.db2.gz HDZNEQFKFRAUIL-VBNZEHGJSA-N 1 0 308.397 2.360 10 0 DEAERO CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c1 ZINC000251686905 145195459 /nfs/dbraw/zinc/19/54/59/145195459.db2.gz JGWFEOADPQEBFQ-PBHICJAKSA-N 1 0 320.433 2.058 10 0 DEAERO COc1ccc(-c2noc(CN3CC[C@@H](C)C[C@@H]3C[NH3+])n2)cc1 ZINC000261608611 145209892 /nfs/dbraw/zinc/20/98/92/145209892.db2.gz ASGGYCRFBNTLCW-TZMCWYRMSA-N 1 0 316.405 2.304 10 0 DEAERO Cc1ccccc1CCNC(=O)[C@@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261615231 145210226 /nfs/dbraw/zinc/21/02/26/145210226.db2.gz CSEJTROIMATASN-NVXWUHKLSA-N 1 0 317.477 2.101 10 0 DEAERO CSc1cc2c(cc1CN1CC[C@](C)(C[NH3+])C1)OCCO2 ZINC000261612645 145210594 /nfs/dbraw/zinc/21/05/94/145210594.db2.gz BJPGXLUWLXYCES-MRXNPFEDSA-N 1 0 308.447 2.350 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(Oc3ccccn3)cc2)CCOCC1 ZINC000261651756 145213868 /nfs/dbraw/zinc/21/38/68/145213868.db2.gz AOGRQXRSJPKCDM-UHFFFAOYSA-N 1 0 313.357 2.320 10 0 DEAERO Nc1cccc(C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000261659947 145214095 /nfs/dbraw/zinc/21/40/95/145214095.db2.gz IUUDAOMBBNXZEZ-IBGZPJMESA-N 1 0 311.429 2.120 10 0 DEAERO CC1(C)CN(Cc2csc(-c3ncccn3)n2)CC[C@H]1[NH3+] ZINC000261656264 145214259 /nfs/dbraw/zinc/21/42/59/145214259.db2.gz HSTZQQVWNJCGDJ-GFCCVEGCSA-N 1 0 303.435 2.159 10 0 DEAERO O=C(C[C@@H]1CCOc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261672137 145215685 /nfs/dbraw/zinc/21/56/85/145215685.db2.gz CSJIWISQXPRCPL-HRCADAONSA-N 1 0 314.429 2.401 10 0 DEAERO CCCN(CCC)C(=O)CCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261680863 145216358 /nfs/dbraw/zinc/21/63/58/145216358.db2.gz CNSGAWFNRLOGIH-CQSZACIVSA-N 1 0 311.470 2.001 10 0 DEAERO [NH3+]C1(c2noc([C@@H]3CCCN3C(=O)c3cccs3)n2)CCC1 ZINC000261697393 145217729 /nfs/dbraw/zinc/21/77/29/145217729.db2.gz HXZNJHMMOXRLOE-JTQLQIEISA-N 1 0 318.402 2.446 10 0 DEAERO Cc1ccc(C(=O)CCC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000261702572 145218314 /nfs/dbraw/zinc/21/83/14/145218314.db2.gz JKVNXSRXUNJWGT-CABCVRRESA-N 1 0 302.418 2.462 10 0 DEAERO c1cncc([C@@H]2C[NH2+]CCN2CCc2ccc3c(c2)CCO3)c1 ZINC000261699214 145218327 /nfs/dbraw/zinc/21/83/27/145218327.db2.gz JOIZDZUAWDRKHH-SFHVURJKSA-N 1 0 309.413 2.206 10 0 DEAERO CCC(=O)c1ccc(OCC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261712312 145218836 /nfs/dbraw/zinc/21/88/36/145218836.db2.gz GHKHEGNLGWXRCD-DZGCQCFKSA-N 1 0 318.417 2.244 10 0 DEAERO CC(C)CO[C@@H](C)c1noc(CN2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261728578 145220755 /nfs/dbraw/zinc/22/07/55/145220755.db2.gz OBPWGPYSNUZRQV-QWHCGFSZSA-N 1 0 310.442 2.362 10 0 DEAERO Cc1ccccc1Cc1nc(CN2CC[C@@](C)(C[NH3+])C2)no1 ZINC000261785747 145225951 /nfs/dbraw/zinc/22/59/51/145225951.db2.gz ULNLPSFQQUEPAT-KRWDZBQOSA-N 1 0 300.406 2.140 10 0 DEAERO [NH3+]C1(C(=O)N2CCC[C@H](c3ccccc3)CC2)CCOCC1 ZINC000261794646 145227218 /nfs/dbraw/zinc/22/72/18/145227218.db2.gz ILZIHGFNNUATTN-INIZCTEOSA-N 1 0 302.418 2.291 10 0 DEAERO CCC[C@@H]1C[NH2+]CCN1Cc1ccc2c(c1)sc(=O)n2C ZINC000261807599 145228663 /nfs/dbraw/zinc/22/86/63/145228663.db2.gz HLNYORBNPZYRRG-CYBMUJFWSA-N 1 0 305.447 2.174 10 0 DEAERO Cc1c(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cnn1-c1ccccc1 ZINC000261809234 145228679 /nfs/dbraw/zinc/22/86/79/145228679.db2.gz HKAOVPOTJBOLAL-MRXNPFEDSA-N 1 0 312.417 2.380 10 0 DEAERO COc1cc(C)c(NC(=O)c2ccnc(C[NH3+])c2)cc1OC ZINC000261831015 145232255 /nfs/dbraw/zinc/23/22/55/145232255.db2.gz BIXBUQIUTLZJDP-UHFFFAOYSA-N 1 0 301.346 2.118 10 0 DEAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000261852856 145233813 /nfs/dbraw/zinc/23/38/13/145233813.db2.gz QJCSCGWEXMKLHX-CMPLNLGQSA-N 1 0 316.323 2.323 10 0 DEAERO Cc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000261850782 145233943 /nfs/dbraw/zinc/23/39/43/145233943.db2.gz DLPKUZMNLNHYPK-NNQSOWQGSA-N 1 0 305.397 2.287 10 0 DEAERO C[C@H]1CCN(C(=O)c2cnc(-c3ccccn3)s2)[C@@H](C[NH3+])C1 ZINC000261897719 145239304 /nfs/dbraw/zinc/23/93/04/145239304.db2.gz VYNQHTZYYPOLJD-NWDGAFQWSA-N 1 0 316.430 2.405 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000261913076 145240971 /nfs/dbraw/zinc/24/09/71/145240971.db2.gz YLICRQBKVDUZLD-MNOVXSKESA-N 1 0 302.353 2.025 10 0 DEAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1ccccc1C(F)(F)F ZINC000261925548 145242371 /nfs/dbraw/zinc/24/23/71/145242371.db2.gz VRBIITVXEFCFAJ-JTQLQIEISA-N 1 0 316.323 2.391 10 0 DEAERO CCc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000261931499 145243275 /nfs/dbraw/zinc/24/32/75/145243275.db2.gz JNYPCGAATMIVLO-SJPCQFCGSA-N 1 0 301.434 2.402 10 0 DEAERO COc1cccc(C[C@@H](C)NC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000261929091 145243330 /nfs/dbraw/zinc/24/33/30/145243330.db2.gz KQHQRMIFTLSTMC-CJNGLKHVSA-N 1 0 302.418 2.132 10 0 DEAERO C[C@H](c1nc(-c2cccnc2)no1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261928206 145243341 /nfs/dbraw/zinc/24/33/41/145243341.db2.gz ZNMPTLLGGGFDBZ-DGCLKSJQSA-N 1 0 301.394 2.252 10 0 DEAERO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261931078 145243511 /nfs/dbraw/zinc/24/35/11/145243511.db2.gz BJUBYNDUSHQMJW-HUUCEWRRSA-N 1 0 317.433 2.021 10 0 DEAERO [NH3+]CC1(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)CCOCC1 ZINC000261950065 145245808 /nfs/dbraw/zinc/24/58/08/145245808.db2.gz OCWDNDCRRUDUJG-NEPJUHHUSA-N 1 0 322.371 2.227 10 0 DEAERO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261954423 145246557 /nfs/dbraw/zinc/24/65/57/145246557.db2.gz OTSPTZWKIRGNQG-KURKYZTESA-N 1 0 304.434 2.332 10 0 DEAERO Cc1cccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000261956590 145246978 /nfs/dbraw/zinc/24/69/78/145246978.db2.gz ODHNTXLYSVDQKJ-XYPWUTKMSA-N 1 0 301.434 2.457 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCc1ccccc1F ZINC000261958522 145247037 /nfs/dbraw/zinc/24/70/37/145247037.db2.gz XKAUKDGLVBPWKU-DDUZABMNSA-N 1 0 320.408 2.017 10 0 DEAERO O=C(Cc1ccon1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261959201 145247352 /nfs/dbraw/zinc/24/73/52/145247352.db2.gz KTGXXJKHXOBOGK-AWEZNQCLSA-N 1 0 305.765 2.044 10 0 DEAERO Cn1c2ccc(CN3CC[C@@H]([NH3+])C(C)(C)C3)cc2sc1=O ZINC000262026676 145254742 /nfs/dbraw/zinc/25/47/42/145254742.db2.gz WPPYJWHEJRWSRP-CQSZACIVSA-N 1 0 305.447 2.159 10 0 DEAERO Cc1ccc2oc(N3CCN(C[C@]4(C)CC[NH2+]C4)CC3)nc2c1 ZINC000262045939 145256477 /nfs/dbraw/zinc/25/64/77/145256477.db2.gz PRSSQYLYFHTBPW-GOSISDBHSA-N 1 0 314.433 2.258 10 0 DEAERO C[C@@H]1CCCN(Cc2ccc3c(c2)sc(=O)n3C)[C@H]1C[NH3+] ZINC000262047881 145257173 /nfs/dbraw/zinc/25/71/73/145257173.db2.gz ZGCHUBPPHRMIRT-RISCZKNCSA-N 1 0 305.447 2.159 10 0 DEAERO CC1(C)CN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000262101142 145261762 /nfs/dbraw/zinc/26/17/62/145261762.db2.gz VBNIPSZPPUVTAO-AWEZNQCLSA-N 1 0 316.380 2.415 10 0 DEAERO COc1ccc(CCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1F ZINC000262194736 145268738 /nfs/dbraw/zinc/26/87/38/145268738.db2.gz ZVIOFDOPUQADGO-OAHLLOKOSA-N 1 0 308.397 2.353 10 0 DEAERO CCc1ccc([C@H]2C[NH2+]CCN2CC(=O)NC(C)(C)C)cc1 ZINC000262201773 145269588 /nfs/dbraw/zinc/26/95/88/145269588.db2.gz KMVNMRIFUDMGAT-MRXNPFEDSA-N 1 0 303.450 2.110 10 0 DEAERO C[C@H](C(=O)Nc1cccc(OCc2ccccn2)c1)C1C[NH2+]C1 ZINC000262382830 145280824 /nfs/dbraw/zinc/28/08/24/145280824.db2.gz NCONANDOZCLDPJ-ZDUSSCGKSA-N 1 0 311.385 2.455 10 0 DEAERO C[C@H]1Cc2ccccc2N1C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262573584 145294447 /nfs/dbraw/zinc/29/44/47/145294447.db2.gz XTPLJDIEIIONND-XJKSGUPXSA-N 1 0 301.434 2.023 10 0 DEAERO O=C(NCC[C@@H]1CC[NH2+]C1)C1=Cc2cc(Cl)ccc2OC1 ZINC000262580132 145295075 /nfs/dbraw/zinc/29/50/75/145295075.db2.gz NZYYUUCQXMJSDG-NSHDSACASA-N 1 0 306.793 2.232 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@@H](C[NH3+])CC(C)C)nc21 ZINC000262595286 145295505 /nfs/dbraw/zinc/29/55/05/145295505.db2.gz HURYTLMFBLGPRK-CYBMUJFWSA-N 1 0 302.422 2.294 10 0 DEAERO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262683467 145300267 /nfs/dbraw/zinc/30/02/67/145300267.db2.gz WYQDBZZQAGVQJO-PXAZEXFGSA-N 1 0 314.433 2.093 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000262763316 145304011 /nfs/dbraw/zinc/30/40/11/145304011.db2.gz JZOPUZFAYOMDRZ-GZMMTYOYSA-N 1 0 323.245 2.270 10 0 DEAERO C[C@H]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC12CCC2 ZINC000262827058 145307074 /nfs/dbraw/zinc/30/70/74/145307074.db2.gz RSANDTYOEMDNFF-LSDHHAIUSA-N 1 0 316.449 2.460 10 0 DEAERO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccnc3ccncc32)C1(C)C ZINC000262822946 145307101 /nfs/dbraw/zinc/30/71/01/145307101.db2.gz YWOFMEZFPZSHRF-YOEHRIQHSA-N 1 0 314.389 2.101 10 0 DEAERO O=C(Nc1ccc2c(c1)COC2)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262865960 145308323 /nfs/dbraw/zinc/30/83/23/145308323.db2.gz XBKQWHYRWNHVMM-OAHLLOKOSA-N 1 0 312.373 2.090 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2ccc3c(c2)CCCC3)n1 ZINC000263125142 145327686 /nfs/dbraw/zinc/32/76/86/145327686.db2.gz BFEVHRGFYSPIBV-MRXNPFEDSA-N 1 0 312.417 2.115 10 0 DEAERO Cc1noc(C2CCC(NC(=O)CCC3CC[NH2+]CC3)CC2)n1 ZINC000263133390 145328395 /nfs/dbraw/zinc/32/83/95/145328395.db2.gz BWGRWDPBWSLJPQ-UHFFFAOYSA-N 1 0 320.437 2.300 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(CCSc2ccc(F)cc2)n1 ZINC000263193504 145335043 /nfs/dbraw/zinc/33/50/43/145335043.db2.gz IDQMAEYHMLCOGY-CYBMUJFWSA-N 1 0 322.409 2.120 10 0 DEAERO COc1cccc([C@@H](C)Cc2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263199774 145335763 /nfs/dbraw/zinc/33/57/63/145335763.db2.gz IWEWKGHTSQDFMG-SWLSCSKDSA-N 1 0 316.405 2.001 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000263223072 145338048 /nfs/dbraw/zinc/33/80/48/145338048.db2.gz MGHFAIICEMJNQK-JTNHKYCSSA-N 1 0 320.343 2.195 10 0 DEAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccnc(OC(F)F)c1 ZINC000356985307 147016057 /nfs/dbraw/zinc/01/60/57/147016057.db2.gz NVYJEJUMYFUGSF-GHMZBOCLSA-N 1 0 313.348 2.172 10 0 DEAERO C[C@@H]1C[NH+](Cc2ccc(-c3nc(N(C)C)no3)cc2)C[C@@H](C)O1 ZINC000358580131 147159519 /nfs/dbraw/zinc/15/95/19/147159519.db2.gz PUXLSOCRCWAUEZ-CHWSQXEVSA-N 1 0 316.405 2.412 10 0 DEAERO CCC[N@H+](C)CC(=O)N[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000358904538 147228286 /nfs/dbraw/zinc/22/82/86/147228286.db2.gz JOYAMYCUYCAMAM-KRWDZBQOSA-N 1 0 318.396 2.107 10 0 DEAERO COc1ccc(Cl)cc1CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359343445 147311333 /nfs/dbraw/zinc/31/13/33/147311333.db2.gz NACVFTWVZYCODX-ZDUSSCGKSA-N 1 0 323.824 2.385 10 0 DEAERO CCNC(=O)c1ccc(N2CCC(C[NH+](CC)CC)CC2)nc1 ZINC000360953317 147416368 /nfs/dbraw/zinc/41/63/68/147416368.db2.gz GWLDKCIFSLVBBA-UHFFFAOYSA-N 1 0 318.465 2.390 10 0 DEAERO COc1ccc(OC)c(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000370707515 148047046 /nfs/dbraw/zinc/04/70/46/148047046.db2.gz FBZMELJKJMIOGH-RDTXWAMCSA-N 1 0 321.417 2.474 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000375135306 148334635 /nfs/dbraw/zinc/33/46/35/148334635.db2.gz PLSZWAQJTWLNGA-SJORKVTESA-N 1 0 323.481 2.461 10 0 DEAERO C/C(=C\C(C)(C)C)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000375378314 148365362 /nfs/dbraw/zinc/36/53/62/148365362.db2.gz IXVSXSRVMAZCLM-MDJJKAFGSA-N 1 0 307.482 2.217 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccncc1Br ZINC000246084913 297100478 /nfs/dbraw/zinc/10/04/78/297100478.db2.gz UIUDJGLLJKKMGX-MNOVXSKESA-N 1 0 324.222 2.153 10 0 DEAERO CC(C)[C@H](O)C(C)(C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000127130995 401721549 /nfs/dbraw/zinc/72/15/49/401721549.db2.gz FTMZPHYXKMZFFY-SJORKVTESA-N 1 0 320.477 2.319 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c(C)n[nH]c2C)[C@H](C)C1 ZINC000127284123 401727603 /nfs/dbraw/zinc/72/76/03/401727603.db2.gz HYFGGMHFCVNWSV-WBMJQRKESA-N 1 0 306.454 2.148 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)cc2)[C@H](C)C1 ZINC000127318373 401728563 /nfs/dbraw/zinc/72/85/63/401728563.db2.gz GURJHHMVSOIHOO-GDBMZVCRSA-N 1 0 317.433 2.122 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnn2c1CCCC2 ZINC000127452153 401736104 /nfs/dbraw/zinc/73/61/04/401736104.db2.gz HSRKCYJQRJKSDO-CQSZACIVSA-N 1 0 304.438 2.214 10 0 DEAERO FC(F)(F)Oc1ccc(C[NH2+]CCCn2ccnn2)cc1 ZINC000126440929 401694251 /nfs/dbraw/zinc/69/42/51/401694251.db2.gz QRNVXMMAPCTUMJ-UHFFFAOYSA-N 1 0 300.284 2.357 10 0 DEAERO O=C(NC[C@H]1CCCO1)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000000317514 401694564 /nfs/dbraw/zinc/69/45/64/401694564.db2.gz ZBOIXGYNLAYVOG-DOTOQJQBSA-N 1 0 306.450 2.350 10 0 DEAERO CCC[C@@H](C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1)[NH+](C)C ZINC000126546324 401699294 /nfs/dbraw/zinc/69/92/94/401699294.db2.gz IGQUVRAVARLAIC-CJNGLKHVSA-N 1 0 315.421 2.175 10 0 DEAERO Cc1cc(C)c(NC(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c(C)c1 ZINC000111220467 401701190 /nfs/dbraw/zinc/70/11/90/401701190.db2.gz XVNWYZOISFICTR-GJZGRUSLSA-N 1 0 317.433 2.136 10 0 DEAERO CCc1cccc(OCC[NH+]2CCC(C(=O)N(C)C)CC2)c1 ZINC000072822539 401712965 /nfs/dbraw/zinc/71/29/65/401712965.db2.gz PJTGGTWAJLFHOL-UHFFFAOYSA-N 1 0 304.434 2.428 10 0 DEAERO COc1ccccc1[C@@H](C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000008037179 401747938 /nfs/dbraw/zinc/74/79/38/401747938.db2.gz GDXAYOXJFVGLPW-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000111451662 401716108 /nfs/dbraw/zinc/71/61/08/401716108.db2.gz QRXDGBIOTJZBQD-VYDXJSESSA-N 1 0 319.449 2.374 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)s1 ZINC000111611808 401718587 /nfs/dbraw/zinc/71/85/87/401718587.db2.gz WZOBPGHDOXQAPB-JTQLQIEISA-N 1 0 302.465 2.058 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000112724803 401756470 /nfs/dbraw/zinc/75/64/70/401756470.db2.gz GYEDISQHQUIWRS-ZDUSSCGKSA-N 1 0 322.840 2.159 10 0 DEAERO C[C@H]1CC[C@H](C)N(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000075285894 401756630 /nfs/dbraw/zinc/75/66/30/401756630.db2.gz QOMMKMUURGROQQ-GJZGRUSLSA-N 1 0 316.449 2.094 10 0 DEAERO COC[C@H](O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000127958448 401757004 /nfs/dbraw/zinc/75/70/04/401757004.db2.gz CKTICUWHFVIDTG-JKSUJKDBSA-N 1 0 315.417 2.263 10 0 DEAERO Cc1ccc(NC(=O)N(C)CCCN2CC[NH+](C)CC2)s1 ZINC000075416316 401759248 /nfs/dbraw/zinc/75/92/48/401759248.db2.gz MQZPKEYGMPXPON-UHFFFAOYSA-N 1 0 310.467 2.158 10 0 DEAERO C[N@@H+]1CC[C@H](CNC(=O)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000113153189 401768589 /nfs/dbraw/zinc/76/85/89/401768589.db2.gz DZIHOWBVMWQPAQ-GFCCVEGCSA-N 1 0 317.364 2.091 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC(=O)c1cccs1 ZINC000113226602 401770771 /nfs/dbraw/zinc/77/07/71/401770771.db2.gz IQXBFBZVYKXFFZ-QWHCGFSZSA-N 1 0 306.431 2.406 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccccc2)n1 ZINC000113226030 401770931 /nfs/dbraw/zinc/77/09/31/401770931.db2.gz WGTOFCVPUZOBEK-GOEBONIOSA-N 1 0 310.401 2.181 10 0 DEAERO CCc1ccc(OCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113229450 401771705 /nfs/dbraw/zinc/77/17/05/401771705.db2.gz BVQXPIPHRBKFPW-HOCLYGCPSA-N 1 0 302.418 2.323 10 0 DEAERO C[C@H](NS(=O)(=O)c1ccc(CC[NH3+])cc1)c1ccccc1 ZINC000011849320 401777524 /nfs/dbraw/zinc/77/75/24/401777524.db2.gz GMRHRXQMINWEAE-ZDUSSCGKSA-N 1 0 304.415 2.227 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)c2coc(Br)c2)C1 ZINC000113451574 401779428 /nfs/dbraw/zinc/77/94/28/401779428.db2.gz INSBBKHTCDIHSF-VIFPVBQESA-N 1 0 301.184 2.066 10 0 DEAERO CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)[C@@H]1CCCO1 ZINC000128526191 401780566 /nfs/dbraw/zinc/78/05/66/401780566.db2.gz DOMCHAKTJSCPQI-OAGGEKHMSA-N 1 0 311.470 2.364 10 0 DEAERO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000076298748 401789836 /nfs/dbraw/zinc/78/98/36/401789836.db2.gz AJLZFRBRXRVECP-RDJZCZTQSA-N 1 0 304.434 2.153 10 0 DEAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)NCC3CC3)C2)cc1 ZINC000076394026 401794197 /nfs/dbraw/zinc/79/41/97/401794197.db2.gz UOSNLWZQANEADP-CZUORRHYSA-N 1 0 302.418 2.399 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2OC)[C@H](C)C1 ZINC000076485775 401796685 /nfs/dbraw/zinc/79/66/85/401796685.db2.gz WMFKGCRRWLGUMJ-HUUCEWRRSA-N 1 0 320.433 2.263 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)ccc1F ZINC000115416603 401827044 /nfs/dbraw/zinc/82/70/44/401827044.db2.gz ZQXWZGISNDRWRJ-FMKPAKJESA-N 1 0 306.381 2.071 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)NCc2ccncc2)ccc1F ZINC000115696279 401835531 /nfs/dbraw/zinc/83/55/31/401835531.db2.gz AYYDLPGXTCHGMI-UHFFFAOYSA-N 1 0 316.380 2.282 10 0 DEAERO Cc1nccn1CCC[N@@H+](C)C[C@H](O)COc1ccc(C)cc1 ZINC000130817066 401839143 /nfs/dbraw/zinc/83/91/43/401839143.db2.gz VLLZPCYCMSJDIN-KRWDZBQOSA-N 1 0 317.433 2.262 10 0 DEAERO C[C@@H](C(=O)N1CC[C@@H](c2cnn(C)c2)C1)[NH+]1CCCCCC1 ZINC000116116538 401842440 /nfs/dbraw/zinc/84/24/40/401842440.db2.gz UWCHPLJAAYBREW-LSDHHAIUSA-N 1 0 304.438 2.001 10 0 DEAERO COc1ccc(Nc2nc(C(=O)NCC[NH+](C)C)cs2)cc1 ZINC000027905023 401848217 /nfs/dbraw/zinc/84/82/17/401848217.db2.gz DOXVUEPMKUTGEU-UHFFFAOYSA-N 1 0 320.418 2.187 10 0 DEAERO COc1ccc(OC)c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116312960 401849008 /nfs/dbraw/zinc/84/90/08/401849008.db2.gz LFBOLBKUCDWNRO-CYBMUJFWSA-N 1 0 301.390 2.427 10 0 DEAERO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116323793 401850302 /nfs/dbraw/zinc/85/03/02/401850302.db2.gz DXEOREZEJMYOMJ-HOCLYGCPSA-N 1 0 324.428 2.187 10 0 DEAERO O=C(Cc1cnc2ccccc2c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000131425027 401850559 /nfs/dbraw/zinc/85/05/59/401850559.db2.gz NORYCDOIFXLCQV-KRWDZBQOSA-N 1 0 309.413 2.474 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Br)cc1 ZINC000078469442 401852001 /nfs/dbraw/zinc/85/20/01/401852001.db2.gz ORTZTRPHUBFWBC-BXUZGUMPSA-N 1 0 313.239 2.430 10 0 DEAERO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116408033 401852146 /nfs/dbraw/zinc/85/21/46/401852146.db2.gz WSUAWUBTVJEETG-FPCVCCKLSA-N 1 0 318.465 2.387 10 0 DEAERO CCOC(=O)CCCC[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000132715875 401872244 /nfs/dbraw/zinc/87/22/44/401872244.db2.gz QRISGYDFLDWNNQ-AWEZNQCLSA-N 1 0 308.426 2.211 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2(O)CCCCCC2)C1 ZINC000131728048 401855380 /nfs/dbraw/zinc/85/53/80/401855380.db2.gz NOWMSBPAJAOBKX-CABCVRRESA-N 1 0 311.470 2.100 10 0 DEAERO Cc1cc(Cl)cc(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000131759161 401856074 /nfs/dbraw/zinc/85/60/74/401856074.db2.gz SKBKURNULDADDS-UHFFFAOYSA-N 1 0 310.825 2.491 10 0 DEAERO CC(C)Cc1ccc(CC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116797922 401859634 /nfs/dbraw/zinc/85/96/34/401859634.db2.gz GGYGNMQZVOCXOP-SFHVURJKSA-N 1 0 318.461 2.217 10 0 DEAERO CCCNC(=O)C1([NH2+]CC(=O)NC(C)(C)CC)CCCCC1 ZINC000078655613 401860861 /nfs/dbraw/zinc/86/08/61/401860861.db2.gz PGQGZDIWCQXZEB-UHFFFAOYSA-N 1 0 311.470 2.110 10 0 DEAERO CC[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@@H]1CCCO1 ZINC000132342152 401865606 /nfs/dbraw/zinc/86/56/06/401865606.db2.gz PSCXSALZZHKKQW-WBVHZDCISA-N 1 0 320.433 2.314 10 0 DEAERO COc1cc(Br)c(C[NH2+]CC[C@@H](C)O)cc1OC ZINC000078781905 401865795 /nfs/dbraw/zinc/86/57/95/401865795.db2.gz DPKRRKFCLCEXTH-SECBINFHSA-N 1 0 318.211 2.327 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)NC(C2CC2)C2CC2)C[C@@H]1CC ZINC000117029232 401867150 /nfs/dbraw/zinc/86/71/50/401867150.db2.gz YZTKFPSERDVUFD-INIZCTEOSA-N 1 0 323.481 2.317 10 0 DEAERO Cc1ccccc1[C@@H](C)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117023038 401867230 /nfs/dbraw/zinc/86/72/30/401867230.db2.gz YOKCKVILYVFJHW-CABCVRRESA-N 1 0 305.422 2.028 10 0 DEAERO CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117044931 401867549 /nfs/dbraw/zinc/86/75/49/401867549.db2.gz BUHFJIVSUCRZKQ-OAGGEKHMSA-N 1 0 311.470 2.317 10 0 DEAERO CCN(C(C)=O)c1nc(CN[C@H]2CCC[N@H+](CC)C2)cs1 ZINC000040502727 401925768 /nfs/dbraw/zinc/92/57/68/401925768.db2.gz RNMTTXXWHSHEMV-ZDUSSCGKSA-N 1 0 310.467 2.090 10 0 DEAERO Cc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000043142066 401937319 /nfs/dbraw/zinc/93/73/19/401937319.db2.gz RSIQRYBOXREHGP-OAHLLOKOSA-N 1 0 305.422 2.272 10 0 DEAERO CC[C@@H]1CN(C(=O)c2cc(C)n(CC)c2C)CC[N@@H+]1CCOC ZINC000117299623 401873378 /nfs/dbraw/zinc/87/33/78/401873378.db2.gz RFIUEEOKKORYRR-MRXNPFEDSA-N 1 0 321.465 2.308 10 0 DEAERO CC[C@H]1CN(C(=O)Cc2ccccc2C)CC[N@@H+]1CCOC ZINC000117305493 401873819 /nfs/dbraw/zinc/87/38/19/401873819.db2.gz PPPPRBWBCJEMPU-KRWDZBQOSA-N 1 0 304.434 2.107 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000079547939 401876478 /nfs/dbraw/zinc/87/64/78/401876478.db2.gz IHPYCPGXUWDBOV-KBPBESRZSA-N 1 0 305.422 2.471 10 0 DEAERO CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(C)o2)CC[N@@H+]1CCOC ZINC000117471410 401877772 /nfs/dbraw/zinc/87/77/72/401877772.db2.gz YJYWVMUXFUCSPO-GJZGRUSLSA-N 1 0 323.437 2.401 10 0 DEAERO CC[C@@H]1CN(C(=O)NCc2ccccc2C)CC[N@@H+]1CCOC ZINC000117471156 401877782 /nfs/dbraw/zinc/87/77/82/401877782.db2.gz WXWGKYNZYKFQJT-QGZVFWFLSA-N 1 0 319.449 2.247 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)C[C@H]1CCOc2ccccc21 ZINC000117755467 401883419 /nfs/dbraw/zinc/88/34/19/401883419.db2.gz UEUBFGPKAUUNBB-OAHLLOKOSA-N 1 0 320.433 2.027 10 0 DEAERO COc1cccc([C@@H]2CN(C[C@H](O)COCC(C)C)CCO2)c1 ZINC000119233724 401934956 /nfs/dbraw/zinc/93/49/56/401934956.db2.gz KWDKMDKZEOEZJQ-WMZOPIPTSA-N 1 0 323.433 2.102 10 0 DEAERO Cc1ccc(F)c(OCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000133408083 401884821 /nfs/dbraw/zinc/88/48/21/401884821.db2.gz IIWRKIKAEQXADF-UONOGXRCSA-N 1 0 306.381 2.208 10 0 DEAERO CC[C@@H](C)C[C@@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000080690461 401891640 /nfs/dbraw/zinc/89/16/40/401891640.db2.gz OULYFVIGAMJGNU-HUUCEWRRSA-N 1 0 318.465 2.388 10 0 DEAERO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c(N)c2)cc1 ZINC000034045931 401892676 /nfs/dbraw/zinc/89/26/76/401892676.db2.gz AMISPUNGCBUARA-XIKOKIGWSA-N 1 0 316.401 2.237 10 0 in-vitro DEAERO CCCCOC[C@@H](O)C[NH+]1CCN(Cc2cccc(C)c2)CC1 ZINC000034260155 401892779 /nfs/dbraw/zinc/89/27/79/401892779.db2.gz MIUAEIKVXHOMDB-IBGZPJMESA-N 1 0 320.477 2.290 10 0 DEAERO CCc1oc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000133735954 401894062 /nfs/dbraw/zinc/89/40/62/401894062.db2.gz RYDVQUIYRVZYRH-AWEZNQCLSA-N 1 0 322.449 2.315 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)COc2ccc(C)cc2)C1 ZINC000081516167 401896728 /nfs/dbraw/zinc/89/67/28/401896728.db2.gz FYBIGEHDQVHURU-MSOLQXFVSA-N 1 0 320.477 2.398 10 0 DEAERO COCC[N@@H+](Cc1ccccc1C)C[C@@H](O)COCC(C)C ZINC000036099872 401902711 /nfs/dbraw/zinc/90/27/11/401902711.db2.gz SNLYQTHCCMNWFX-GOSISDBHSA-N 1 0 309.450 2.477 10 0 DEAERO C[C@H](O)C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000118729368 401905730 /nfs/dbraw/zinc/90/57/30/401905730.db2.gz QYJSIMBSNCHAJX-MAUKXSAKSA-N 1 0 316.445 2.270 10 0 DEAERO CCOCCNC(=O)C[N@@H+]1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000084695564 401909296 /nfs/dbraw/zinc/90/92/96/401909296.db2.gz GWTGHDGIIBNBJT-GOEBONIOSA-N 1 0 320.433 2.026 10 0 DEAERO CCC(C)(C)NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134879633 401918280 /nfs/dbraw/zinc/91/82/80/401918280.db2.gz ZOTXLGHWNPFLES-GDBMZVCRSA-N 1 0 307.482 2.240 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](c3ccccc3)C2)C1 ZINC000085790429 401918938 /nfs/dbraw/zinc/91/89/38/401918938.db2.gz LTDWFYZNRCCFFJ-WBVHZDCISA-N 1 0 322.474 2.148 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2C2CCCC2)C1 ZINC000085787752 401919030 /nfs/dbraw/zinc/91/90/30/401919030.db2.gz JCUJVGQMPRJXOY-GOEBONIOSA-N 1 0 314.495 2.313 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)C2CCOCC2)CC1 ZINC000134930078 401920646 /nfs/dbraw/zinc/92/06/46/401920646.db2.gz XSIKMNNBBSDIDU-CQSZACIVSA-N 1 0 311.470 2.223 10 0 DEAERO Cc1noc(CC[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)n1 ZINC000089517867 401950658 /nfs/dbraw/zinc/95/06/58/401950658.db2.gz UUKLPSROWHYPTC-GFCCVEGCSA-N 1 0 314.389 2.398 10 0 DEAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000119488584 401953583 /nfs/dbraw/zinc/95/35/83/401953583.db2.gz SEVUWSVEUUVOKI-MELADBBJSA-N 1 0 315.421 2.221 10 0 DEAERO O=C(CCc1ccccc1O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000045076666 401954263 /nfs/dbraw/zinc/95/42/63/401954263.db2.gz NNUPYJRYMZGLJO-UHFFFAOYSA-N 1 0 324.424 2.499 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000045545000 401958660 /nfs/dbraw/zinc/95/86/60/401958660.db2.gz DPIRDIDJZBOWFD-CYBMUJFWSA-N 1 0 323.437 2.406 10 0 DEAERO CCCS(=O)(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119689689 401963563 /nfs/dbraw/zinc/96/35/63/401963563.db2.gz SOUATCTVNHWWDU-INIZCTEOSA-N 1 0 310.463 2.371 10 0 DEAERO CCN(CCc1nccs1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000119828717 401967997 /nfs/dbraw/zinc/96/79/97/401967997.db2.gz YXAZLJSWPKQOMP-ZDUSSCGKSA-N 1 0 310.467 2.059 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2cc3ccccc3[nH]2)C1 ZINC000136522601 401968746 /nfs/dbraw/zinc/96/87/46/401968746.db2.gz FDHCXVXNRRSHGV-MRXNPFEDSA-N 1 0 314.433 2.494 10 0 DEAERO O=C(C[C@H]1CCCO1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000046786704 401973088 /nfs/dbraw/zinc/97/30/88/401973088.db2.gz FIHFTUBLRKDALV-QGZVFWFLSA-N 1 0 302.418 2.468 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000136808797 401974495 /nfs/dbraw/zinc/97/44/95/401974495.db2.gz KPWRSJGWZKRFCG-MRXNPFEDSA-N 1 0 318.465 2.432 10 0 DEAERO CC(=O)c1ccccc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000120089844 401977676 /nfs/dbraw/zinc/97/76/76/401977676.db2.gz QAYVSZQCFGMOJN-UHFFFAOYSA-N 1 0 316.401 2.011 10 0 DEAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(OC)c2)C1 ZINC000090410228 401982135 /nfs/dbraw/zinc/98/21/35/401982135.db2.gz LXPNATOZXSBEBN-YPMHNXCESA-N 1 0 309.385 2.289 10 0 DEAERO CC[C@H]1CCCCCN1C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000120341473 401987377 /nfs/dbraw/zinc/98/73/77/401987377.db2.gz UNHUTEUTJGFMFZ-JKSUJKDBSA-N 1 0 311.470 2.461 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091318961 401996241 /nfs/dbraw/zinc/99/62/41/401996241.db2.gz MVIZEKFTCVPOCF-HUUCEWRRSA-N 1 0 316.449 2.335 10 0 DEAERO Cc1ccc(CC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1O ZINC000089458618 401947746 /nfs/dbraw/zinc/94/77/46/401947746.db2.gz RYSYATJKUOVDOB-MRXNPFEDSA-N 1 0 304.434 2.480 10 0 DEAERO CCC[N@@H+](Cc1ccc(C(=O)N(C)C)[nH]1)C[C@@H]1CCCCO1 ZINC000093132357 402011709 /nfs/dbraw/zinc/01/17/09/402011709.db2.gz OASYRBCTIRYTHL-HNNXBMFYSA-N 1 0 307.438 2.498 10 0 DEAERO COC(=O)[C@@H](C)C[N@H+](CCn1cccn1)Cc1ccccc1 ZINC000121107666 402015835 /nfs/dbraw/zinc/01/58/35/402015835.db2.gz BXIFJGWDPADKOB-HNNXBMFYSA-N 1 0 301.390 2.194 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCCN1CCOCC1 ZINC000151172446 402021560 /nfs/dbraw/zinc/02/15/60/402021560.db2.gz RNMNFYGMTPRPPJ-AWEZNQCLSA-N 1 0 308.470 2.319 10 0 DEAERO [NH3+]CCCOC1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000094073194 402022392 /nfs/dbraw/zinc/02/23/92/402022392.db2.gz XYBCNCXIROGKQY-UHFFFAOYSA-N 1 0 303.328 2.435 10 0 DEAERO CC[NH+]1CCN(Cc2nc3sc(C)c(C)c3c(N)n2)CC1 ZINC000049933629 402022581 /nfs/dbraw/zinc/02/25/81/402022581.db2.gz NEPJEWUKLAWPQS-UHFFFAOYSA-N 1 0 305.451 2.028 10 0 DEAERO [NH3+]CCCOC1CCN(c2ncccc2Br)CC1 ZINC000094073299 402022688 /nfs/dbraw/zinc/02/26/88/402022688.db2.gz UQJXWNKIXJYJOV-UHFFFAOYSA-N 1 0 314.227 2.178 10 0 DEAERO COc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)c1O ZINC000121253850 402023557 /nfs/dbraw/zinc/02/35/57/402023557.db2.gz VBXAHSKGSMRUKH-UHFFFAOYSA-N 1 0 318.373 2.198 10 0 DEAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC(C)(CC)CC)CC1 ZINC000121254588 402023604 /nfs/dbraw/zinc/02/36/04/402023604.db2.gz FLZZHKXCTJLDLW-HNNXBMFYSA-N 1 0 312.502 2.138 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)C1 ZINC000121262721 402024402 /nfs/dbraw/zinc/02/44/02/402024402.db2.gz UUPUXMASRZCRDK-DZKIICNBSA-N 1 0 317.433 2.335 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cnccn1 ZINC000095089254 402025126 /nfs/dbraw/zinc/02/51/26/402025126.db2.gz QPFLGWDLIKXQCY-OLZOCXBDSA-N 1 0 306.410 2.384 10 0 DEAERO CCN(CC)C(=O)[C@H](C)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000151247984 402025649 /nfs/dbraw/zinc/02/56/49/402025649.db2.gz XZDZETCJAOXBCV-KGLIPLIRSA-N 1 0 315.421 2.175 10 0 DEAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1N(C)C ZINC000151320740 402029781 /nfs/dbraw/zinc/02/97/81/402029781.db2.gz LDOSMTFVIZBUHL-HOCLYGCPSA-N 1 0 323.456 2.389 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CC(=O)NCCN1CCc2ccccc21 ZINC000051228063 402032629 /nfs/dbraw/zinc/03/26/29/402032629.db2.gz FDELSGKDXAXILJ-OAHLLOKOSA-N 1 0 301.434 2.040 10 0 DEAERO Cc1cccc([C@H](O)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000121391850 402032792 /nfs/dbraw/zinc/03/27/92/402032792.db2.gz UQOMLDJWXOJNPY-IAGOWNOFSA-N 1 0 321.465 2.304 10 0 DEAERO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2cscn2)C1 ZINC000051750846 402035840 /nfs/dbraw/zinc/03/58/40/402035840.db2.gz JUYKVEQXPCKQNG-ZDUSSCGKSA-N 1 0 310.467 2.454 10 0 DEAERO C[C@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)[NH+]1CCCCCC1 ZINC000151524678 402041305 /nfs/dbraw/zinc/04/13/05/402041305.db2.gz WBFGLVOAWABVOM-NVXWUHKLSA-N 1 0 317.433 2.326 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccc(OC)cc2)C1 ZINC000052593507 402044361 /nfs/dbraw/zinc/04/43/61/402044361.db2.gz SOLPSVMFDZHHDT-OAHLLOKOSA-N 1 0 305.422 2.321 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCOc2ccccc2F)C1 ZINC000052593442 402044400 /nfs/dbraw/zinc/04/44/00/402044400.db2.gz XFUGSGOEEWJEDU-AWEZNQCLSA-N 1 0 323.412 2.330 10 0 DEAERO C[C@@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C1CCOCC1 ZINC000121586269 402045206 /nfs/dbraw/zinc/04/52/06/402045206.db2.gz MCTQQRDTMOEXNW-CRAIPNDOSA-N 1 0 318.461 2.338 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000053086504 402050720 /nfs/dbraw/zinc/05/07/20/402050720.db2.gz JVXPCASSWMQSRJ-OKILXGFUSA-N 1 0 315.417 2.058 10 0 DEAERO C[C@H](c1cccc(F)c1)N1CC[NH+](CCn2ccnc2)CC1 ZINC000091980865 402000020 /nfs/dbraw/zinc/00/00/20/402000020.db2.gz YICCIQLWKFHVAD-OAHLLOKOSA-N 1 0 302.397 2.401 10 0 DEAERO O=C(C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCCCCC1 ZINC000120762116 402001608 /nfs/dbraw/zinc/00/16/08/402001608.db2.gz OLAYHUJEAAMBAA-IRXDYDNUSA-N 1 0 308.466 2.405 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2c[nH]nc2C(C)(C)C)C[C@@H]1C ZINC000120891754 402005964 /nfs/dbraw/zinc/00/59/64/402005964.db2.gz VKAGAXWXANGBAU-AWEZNQCLSA-N 1 0 308.470 2.250 10 0 DEAERO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000122300551 402071250 /nfs/dbraw/zinc/07/12/50/402071250.db2.gz ZOMWTFWJMSQLKA-LBPRGKRZSA-N 1 0 316.323 2.325 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C)c(OC)c2)C1 ZINC000054780767 402072179 /nfs/dbraw/zinc/07/21/79/402072179.db2.gz FMGAYPOSJAJDLR-OAHLLOKOSA-N 1 0 305.422 2.287 10 0 DEAERO c1nn(-c2ccccc2)nc1C[NH2+]C[C@@H]1CSCCS1 ZINC000122351584 402074756 /nfs/dbraw/zinc/07/47/56/402074756.db2.gz CSLOBEBRCGORDX-CQSZACIVSA-N 1 0 306.460 2.206 10 0 DEAERO CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000055308287 402079379 /nfs/dbraw/zinc/07/93/79/402079379.db2.gz FPEIGUVDZONKNA-INIZCTEOSA-N 1 0 317.433 2.334 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000055295397 402079468 /nfs/dbraw/zinc/07/94/68/402079468.db2.gz HSZREFNVBMBDEJ-AWEZNQCLSA-N 1 0 324.471 2.199 10 0 DEAERO COCc1ccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)o1 ZINC000097007510 402100070 /nfs/dbraw/zinc/10/00/70/402100070.db2.gz NLNNHGMBPAYACR-OAHLLOKOSA-N 1 0 316.401 2.329 10 0 DEAERO COCc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)o1 ZINC000096990238 402100268 /nfs/dbraw/zinc/10/02/68/402100268.db2.gz OHMHDDAGRVPHBK-OAHLLOKOSA-N 1 0 302.374 2.459 10 0 DEAERO CC(C)(C)C(=O)NCCCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058908600 402103051 /nfs/dbraw/zinc/10/30/51/402103051.db2.gz OAULTUPCTFVCAC-UHFFFAOYSA-N 1 0 323.481 2.016 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)CCc2nc(C(C)(C)C)no2)CC[N@@H+]1C ZINC000123055120 402108078 /nfs/dbraw/zinc/10/80/78/402108078.db2.gz WZSUUUKQBFLWDD-CHWSQXEVSA-N 1 0 322.453 2.241 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(OC)c(F)c1 ZINC000061944816 402109139 /nfs/dbraw/zinc/10/91/39/402109139.db2.gz ZQEKAVCKWWIUOS-LBPRGKRZSA-N 1 0 311.401 2.364 10 0 DEAERO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c1 ZINC000123252467 402117987 /nfs/dbraw/zinc/11/79/87/402117987.db2.gz YQPZYEUZNPMDMO-ZIAGYGMSSA-N 1 0 305.422 2.016 10 0 DEAERO CCc1nc2c(s1)[C@H]([NH2+]C[C@H](C)N1CCOCC1)CCC2 ZINC000123381990 402125079 /nfs/dbraw/zinc/12/50/79/402125079.db2.gz VNFWMBQDZTYASB-QWHCGFSZSA-N 1 0 309.479 2.393 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2OC(=O)c3ccccc32)CC[N@@H+]1C ZINC000123400881 402125823 /nfs/dbraw/zinc/12/58/23/402125823.db2.gz AMUATTFVQMBYFE-XJKCOSOUSA-N 1 0 316.401 2.229 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccccc1NCCOC)[NH+](C)C ZINC000153092488 402126622 /nfs/dbraw/zinc/12/66/22/402126622.db2.gz FMURXLIHLUOHLP-INIZCTEOSA-N 1 0 307.438 2.091 10 0 DEAERO C[N@@H+]1CCO[C@H]2CN(c3ccnc4ccc(Cl)cc43)C[C@@H]21 ZINC000153140781 402128961 /nfs/dbraw/zinc/12/89/61/402128961.db2.gz BUFOYLRWCHLRBA-HOTGVXAUSA-N 1 0 303.793 2.407 10 0 DEAERO COc1cccc(Cl)c1CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000153135658 402129019 /nfs/dbraw/zinc/12/90/19/402129019.db2.gz NQVPOVLCUQUORB-LBPRGKRZSA-N 1 0 310.825 2.444 10 0 DEAERO CC[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000123594300 402136879 /nfs/dbraw/zinc/13/68/79/402136879.db2.gz LHVRFEALVYHFOY-CVEARBPZSA-N 1 0 308.397 2.108 10 0 DEAERO CC[C@@](C)(O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000123641774 402139486 /nfs/dbraw/zinc/13/94/86/402139486.db2.gz ZDBJDCLTBMPLQC-LJQANCHMSA-N 1 0 318.461 2.315 10 0 DEAERO CC(=O)c1cccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123739059 402143982 /nfs/dbraw/zinc/14/39/82/402143982.db2.gz VUKOWZNVTKPNFD-DYVFJYSZSA-N 1 0 317.433 2.242 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@](C)(O)CCC(C)C ZINC000153470561 402147902 /nfs/dbraw/zinc/14/79/02/402147902.db2.gz OYXSLCLQJIGPHF-HOCLYGCPSA-N 1 0 301.475 2.203 10 0 DEAERO CCCC(=O)N[C@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000101563228 402148694 /nfs/dbraw/zinc/14/86/94/402148694.db2.gz SVVTUDVFGXSBRP-LBPRGKRZSA-N 1 0 310.360 2.336 10 0 DEAERO COc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)c(C)n1 ZINC000124000747 402158317 /nfs/dbraw/zinc/15/83/17/402158317.db2.gz TUUKULASRDJNRY-GFCCVEGCSA-N 1 0 306.410 2.395 10 0 DEAERO Cc1nc(C[C@H]2CCC[N@H+](CCC(=O)OC(C)(C)C)C2)no1 ZINC000103230583 402182032 /nfs/dbraw/zinc/18/20/32/402182032.db2.gz OSTGKFBAVHMGRP-CYBMUJFWSA-N 1 0 309.410 2.364 10 0 DEAERO CCCCOC(=O)CC[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000103230648 402182039 /nfs/dbraw/zinc/18/20/39/402182039.db2.gz NUOCSXGPHCDNFO-AWEZNQCLSA-N 1 0 309.410 2.366 10 0 DEAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000103284438 402183662 /nfs/dbraw/zinc/18/36/62/402183662.db2.gz BGOMWHYPHGPGOV-NEPJUHHUSA-N 1 0 323.824 2.254 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C[C@@H](C)O)CC1 ZINC000124521735 402183958 /nfs/dbraw/zinc/18/39/58/402183958.db2.gz WPGDGRRRJPPBLQ-GDBMZVCRSA-N 1 0 311.470 2.053 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)CC1 ZINC000124608734 402188131 /nfs/dbraw/zinc/18/81/31/402188131.db2.gz CDRZSFQUNGUVGE-ZDUSSCGKSA-N 1 0 321.469 2.070 10 0 DEAERO COc1ccc([C@H](CNC2=[NH+]CCCN2)N2CCCCC2)cc1 ZINC000068467056 402199099 /nfs/dbraw/zinc/19/90/99/402199099.db2.gz MXHUBXOLNDIKLS-KRWDZBQOSA-N 1 0 316.449 2.161 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000124123677 402164741 /nfs/dbraw/zinc/16/47/41/402164741.db2.gz LEIAKTPPTCAUOW-GFCCVEGCSA-N 1 0 321.812 2.247 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCOCC1CC1 ZINC000124144688 402165694 /nfs/dbraw/zinc/16/56/94/402165694.db2.gz IHURVIGMEAEKKX-MRXNPFEDSA-N 1 0 311.470 2.175 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)cc1F ZINC000069136418 402214097 /nfs/dbraw/zinc/21/40/97/402214097.db2.gz XRYNOGNGHAIVIO-JQWIXIFHSA-N 1 0 301.383 2.062 10 0 DEAERO COc1ccccc1C1CC([NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000069140601 402214102 /nfs/dbraw/zinc/21/41/02/402214102.db2.gz AMZAHVIFPFBUIP-ROKHWSDSSA-N 1 0 309.431 2.108 10 0 DEAERO Cn1cncc1C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000125235878 402220879 /nfs/dbraw/zinc/22/08/79/402220879.db2.gz MNBKWYKNERNZEU-GDBMZVCRSA-N 1 0 318.808 2.135 10 0 DEAERO Cn1cncc1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000125236413 402220885 /nfs/dbraw/zinc/22/08/85/402220885.db2.gz MNBKWYKNERNZEU-ZBFHGGJFSA-N 1 0 318.808 2.135 10 0 DEAERO CC(C)CCOCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106912071 402222676 /nfs/dbraw/zinc/22/26/76/402222676.db2.gz JVEJEPBYCGVIKK-QGZVFWFLSA-N 1 0 306.450 2.338 10 0 DEAERO Cc1noc(C)c1CCNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000107077074 402225589 /nfs/dbraw/zinc/22/55/89/402225589.db2.gz YZAKYESJSFPSOP-LBPRGKRZSA-N 1 0 308.426 2.008 10 0 DEAERO O=C(CCOC[C@@H]1CCCO1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107531024 402234720 /nfs/dbraw/zinc/23/47/20/402234720.db2.gz HJSGILYZLHHBNH-IRXDYDNUSA-N 1 0 324.465 2.049 10 0 DEAERO CNC(=O)CCC[N@H+](C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000154982305 402240557 /nfs/dbraw/zinc/24/05/57/402240557.db2.gz YXFVMZSTSQSHEY-GFCCVEGCSA-N 1 0 302.378 2.256 10 0 DEAERO CC(C)CCC(=O)NCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107779197 402240705 /nfs/dbraw/zinc/24/07/05/402240705.db2.gz ISHUIDLFQZORGV-MRXNPFEDSA-N 1 0 323.481 2.016 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1OC ZINC000125754298 402248691 /nfs/dbraw/zinc/24/86/91/402248691.db2.gz NGIUHTDSFQSFAT-GUYCJALGSA-N 1 0 309.406 2.144 10 0 DEAERO C[NH+](C)C[C@@H]1CN(CCCOc2cccc(Cl)c2)CCO1 ZINC000155374224 402254481 /nfs/dbraw/zinc/25/44/81/402254481.db2.gz QXUGFKNSDBSKLT-MRXNPFEDSA-N 1 0 312.841 2.371 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155704442 402265399 /nfs/dbraw/zinc/26/53/99/402265399.db2.gz UUNBJHLDKNLTNT-DCGLDWPTSA-N 1 0 320.481 2.060 10 0 DEAERO Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000105164726 402206540 /nfs/dbraw/zinc/20/65/40/402206540.db2.gz JHZPHFPTCNHVSP-OAHLLOKOSA-N 1 0 304.438 2.310 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2noc3c2CCCCC3)CC[N@@H+]1C ZINC000154338691 402207201 /nfs/dbraw/zinc/20/72/01/402207201.db2.gz JNIIXAPDBIPJRO-QWHCGFSZSA-N 1 0 305.422 2.498 10 0 DEAERO COc1c(C)cnc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1C ZINC000105919359 402211197 /nfs/dbraw/zinc/21/11/97/402211197.db2.gz ZPARUPRMFJALEQ-HNNXBMFYSA-N 1 0 315.421 2.211 10 0 DEAERO COc1cccc([C@@H]2C[C@@H](O)CN2c2ncnc3[nH]ccc32)c1 ZINC000225701047 402322128 /nfs/dbraw/zinc/32/21/28/402322128.db2.gz ZSIGFKXOCAYQBO-DOMZBBRYSA-N 1 0 310.357 2.279 10 0 DEAERO C[C@H](C(=O)N1CCCO1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000155878589 402269685 /nfs/dbraw/zinc/26/96/85/402269685.db2.gz UHMBPQMGNXQVDG-OAHLLOKOSA-N 1 0 302.418 2.494 10 0 DEAERO CCOc1cccnc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000176070637 402275626 /nfs/dbraw/zinc/27/56/26/402275626.db2.gz MWGFPUMCLNQNQY-UONOGXRCSA-N 1 0 305.422 2.331 10 0 DEAERO Cc1cc(C(=O)NCCCC[NH+]2CCOCC2)c(F)cc1F ZINC000176081747 402276811 /nfs/dbraw/zinc/27/68/11/402276811.db2.gz OUYLELYUBOEVQT-UHFFFAOYSA-N 1 0 312.360 2.115 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)CC[C@H]2CCOC2)ccc1F ZINC000176086981 402277695 /nfs/dbraw/zinc/27/76/95/402277695.db2.gz SWVORVAIYFANPY-ZDUSSCGKSA-N 1 0 308.397 2.320 10 0 DEAERO CCOc1cccnc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000176163303 402285805 /nfs/dbraw/zinc/28/58/05/402285805.db2.gz XBAYJTXAWQXISI-UONOGXRCSA-N 1 0 305.422 2.331 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@H]2CCC(C)(C)O2)CC1 ZINC000184655227 402289138 /nfs/dbraw/zinc/28/91/38/402289138.db2.gz IHFNMYLBOSZHQM-IAGOWNOFSA-N 1 0 309.498 2.046 10 0 DEAERO COc1ccc([C@H](C)CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000176282054 402296871 /nfs/dbraw/zinc/29/68/71/402296871.db2.gz BRGQQHPIHYECBT-GDBMZVCRSA-N 1 0 302.418 2.495 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](COC)c1ccccc1 ZINC000176311012 402298845 /nfs/dbraw/zinc/29/88/45/402298845.db2.gz KOQKWWQUYONUTH-SJORKVTESA-N 1 0 319.449 2.500 10 0 DEAERO CC(C)c1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)cc1 ZINC000184810063 402301421 /nfs/dbraw/zinc/30/14/21/402301421.db2.gz OJMRKVOYOTUNGR-HZPDHXFCSA-N 1 0 317.433 2.382 10 0 DEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000221801699 402304387 /nfs/dbraw/zinc/30/43/87/402304387.db2.gz HEPCNGVBKKPFQI-KBMXLJTQSA-N 1 0 316.511 2.461 10 0 DEAERO CCOc1cccnc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000176453069 402310550 /nfs/dbraw/zinc/31/05/50/402310550.db2.gz LMNKMZIZJWZEGP-CQSZACIVSA-N 1 0 303.406 2.038 10 0 DEAERO CC(C)[C@](C)(O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000184937092 402310646 /nfs/dbraw/zinc/31/06/46/402310646.db2.gz GNZJNFNWMWVIOG-GOSISDBHSA-N 1 0 320.433 2.450 10 0 DEAERO COc1ccc(/C(C)=C/C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000176520110 402316631 /nfs/dbraw/zinc/31/66/31/402316631.db2.gz QIVAQLHMUDFZMZ-WCRPCQDQSA-N 1 0 300.402 2.405 10 0 DEAERO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185008060 402316836 /nfs/dbraw/zinc/31/68/36/402316836.db2.gz LUOJZFPDHTXDSF-HZPDHXFCSA-N 1 0 304.394 2.201 10 0 DEAERO Cn1cc(-c2cc(C[N@H+](C)C3CCC(CO)CC3)on2)cn1 ZINC000185039633 402318870 /nfs/dbraw/zinc/31/88/70/402318870.db2.gz CFZFZYXCKQSQPX-UHFFFAOYSA-N 1 0 304.394 2.058 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2CCC([NH+](C)C)CC2)s1 ZINC000176567007 402319994 /nfs/dbraw/zinc/31/99/94/402319994.db2.gz FMACOIHKANPKFQ-LLVKDONJSA-N 1 0 311.451 2.325 10 0 DEAERO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000185058404 402321114 /nfs/dbraw/zinc/32/11/14/402321114.db2.gz IQUVYCSBKZIUSO-HNNXBMFYSA-N 1 0 303.406 2.246 10 0 DEAERO COC(C)(C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000185335052 402344538 /nfs/dbraw/zinc/34/45/38/402344538.db2.gz KIDWYQHFBOBSJS-MRXNPFEDSA-N 1 0 304.434 2.438 10 0 DEAERO COC(=O)c1ccccc1OCC[N@H+](C)[C@@H](CO)CC(C)C ZINC000185351339 402346170 /nfs/dbraw/zinc/34/61/70/402346170.db2.gz YDRYJFHCHAOHTQ-CQSZACIVSA-N 1 0 309.406 2.191 10 0 DEAERO Cc1c(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000230166641 402348503 /nfs/dbraw/zinc/34/85/03/402348503.db2.gz GIBVCMBQYGPRRY-ZDUSSCGKSA-N 1 0 308.426 2.075 10 0 DEAERO Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230167156 402348927 /nfs/dbraw/zinc/34/89/27/402348927.db2.gz BQMXJRPSSMQUKF-CYBMUJFWSA-N 1 0 308.426 2.373 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)COc1cccc(C(C)=O)c1 ZINC000176985305 402356804 /nfs/dbraw/zinc/35/68/04/402356804.db2.gz VXISDMIRHIWUMP-MRXNPFEDSA-N 1 0 318.417 2.211 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000177015039 402359296 /nfs/dbraw/zinc/35/92/96/402359296.db2.gz PPYAEDQETQAKKR-ZBFHGGJFSA-N 1 0 306.381 2.072 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccoc1Br ZINC000234262966 402359492 /nfs/dbraw/zinc/35/94/92/402359492.db2.gz ZYTGOVKSMQUYDZ-SECBINFHSA-N 1 0 301.184 2.208 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(C[S@](C)=O)c2)C1 ZINC000177058415 402365476 /nfs/dbraw/zinc/36/54/76/402365476.db2.gz LLHGWVFQQQMTKL-DHZVRSILSA-N 1 0 322.474 2.024 10 0 DEAERO COCCC(C)(C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000185721552 402371351 /nfs/dbraw/zinc/37/13/51/402371351.db2.gz YYYFUMCGSXFLCK-MRXNPFEDSA-N 1 0 306.450 2.338 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2nc(N(C)C)no2)C1 ZINC000185262149 402339057 /nfs/dbraw/zinc/33/90/57/402339057.db2.gz UBZAPPQELCEIAU-HUUCEWRRSA-N 1 0 321.469 2.222 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCCC(C)(C)C)C[C@H]1C ZINC000185980994 402394613 /nfs/dbraw/zinc/39/46/13/402394613.db2.gz GCGPJQAGHCVTOR-HUUCEWRRSA-N 1 0 313.486 2.299 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000237233714 402400522 /nfs/dbraw/zinc/40/05/22/402400522.db2.gz MZDHGHUQJGHTHS-CZUORRHYSA-N 1 0 308.422 2.294 10 0 DEAERO COC(=O)c1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000161843639 402401519 /nfs/dbraw/zinc/40/15/19/402401519.db2.gz QINROGBFHXRZAE-CHWSQXEVSA-N 1 0 317.389 2.174 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1COc2ccccc21 ZINC000177449217 402403153 /nfs/dbraw/zinc/40/31/53/402403153.db2.gz UWMJKCOMSHVYDL-DZGCQCFKSA-N 1 0 303.406 2.246 10 0 DEAERO CCC[C@@H](C(=O)N1CCO[C@@H](c2ccccc2F)C1)[NH+](C)C ZINC000161969078 402405181 /nfs/dbraw/zinc/40/51/81/402405181.db2.gz BUNOYVOIFNNCTH-JKSUJKDBSA-N 1 0 308.397 2.456 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1-n1cccn1 ZINC000237442849 402408432 /nfs/dbraw/zinc/40/84/32/402408432.db2.gz LMAZQFMXFUSKJL-HOCLYGCPSA-N 1 0 324.428 2.439 10 0 DEAERO COc1ccc2c(CC(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)coc2c1 ZINC000237461180 402409045 /nfs/dbraw/zinc/40/90/45/402409045.db2.gz YLRBLENGYSNVFS-PBWFPOADSA-N 1 0 314.385 2.383 10 0 DEAERO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237481412 402409372 /nfs/dbraw/zinc/40/93/72/402409372.db2.gz NAPUVZBYQBQZDI-VXGBXAGGSA-N 1 0 312.360 2.238 10 0 DEAERO C[C@H](CC(=O)N1CCCC[C@H]1c1cn[nH]c1)C1CC[NH2+]CC1 ZINC000237523988 402411494 /nfs/dbraw/zinc/41/14/94/402411494.db2.gz QLYBDBTYXUXBFG-CJNGLKHVSA-N 1 0 304.438 2.489 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C12CCOCC2 ZINC000186227343 402413010 /nfs/dbraw/zinc/41/30/10/402413010.db2.gz ANPAJCINWXRXEF-GVDBMIGSSA-N 1 0 323.408 2.423 10 0 DEAERO CC[C@@](C)(O)C[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000162216756 402414073 /nfs/dbraw/zinc/41/40/73/402414073.db2.gz TYMVMWFLZSPTBU-QGZVFWFLSA-N 1 0 305.422 2.306 10 0 DEAERO Cc1cc(C)n(Cc2ccc(C(=O)NC[C@H]([NH3+])C3CC3)cc2)n1 ZINC000237662084 402417427 /nfs/dbraw/zinc/41/74/27/402417427.db2.gz VLLSQFUYXGBTLT-KRWDZBQOSA-N 1 0 312.417 2.015 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(O)c(OC)c2)C12CCOCC2 ZINC000186290330 402418414 /nfs/dbraw/zinc/41/84/14/402418414.db2.gz PMYIHAVODXCTOR-DLBZAZTESA-N 1 0 321.417 2.465 10 0 DEAERO C[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)C1CCOCC1 ZINC000162403336 402419001 /nfs/dbraw/zinc/41/90/01/402419001.db2.gz SOSLAHQBFLROSM-CQSZACIVSA-N 1 0 304.434 2.427 10 0 DEAERO COC(C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1)OC ZINC000162493341 402421997 /nfs/dbraw/zinc/42/19/97/402421997.db2.gz BDOPENGCHQUZBT-CQSZACIVSA-N 1 0 316.405 2.270 10 0 DEAERO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2O)CCCC3)C1 ZINC000186360176 402425137 /nfs/dbraw/zinc/42/51/37/402425137.db2.gz SOTLGLBILOSTEZ-CYBMUJFWSA-N 1 0 302.418 2.295 10 0 DEAERO CC(C)c1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000177680482 402426278 /nfs/dbraw/zinc/42/62/78/402426278.db2.gz JYCIADFEQMCUCJ-MRXNPFEDSA-N 1 0 315.417 2.055 10 0 DEAERO Cc1ccncc1C[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000162743199 402430593 /nfs/dbraw/zinc/43/05/93/402430593.db2.gz STAWPBGHYZIWHN-UHFFFAOYSA-N 1 0 301.415 2.126 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000237989820 402430708 /nfs/dbraw/zinc/43/07/08/402430708.db2.gz PRMOCYDWPQSJOD-PSASIEDQSA-N 1 0 318.204 2.011 10 0 DEAERO CCN(C(=O)N1CCCN(Cc2cnn(CC)c2)CC1)C(C)C ZINC000162782887 402431775 /nfs/dbraw/zinc/43/17/75/402431775.db2.gz IKRWXEKCZXLLHF-UHFFFAOYSA-N 1 0 321.469 2.261 10 0 DEAERO C[C@@H]1Cc2ccccc2N1C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177760703 402433252 /nfs/dbraw/zinc/43/32/52/402433252.db2.gz CBEGQCYHALMURA-NVXWUHKLSA-N 1 0 313.445 2.134 10 0 DEAERO O=C(c1ccc(Br)o1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186490285 402435534 /nfs/dbraw/zinc/43/55/34/402435534.db2.gz ZVYBDVRMFUNDDO-VIFPVBQESA-N 1 0 313.195 2.399 10 0 DEAERO [NH3+]CCCNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000238065940 402435933 /nfs/dbraw/zinc/43/59/33/402435933.db2.gz LLNVJKANBRYTTN-UHFFFAOYSA-N 1 0 323.481 2.097 10 0 DEAERO Cc1c(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cnn1C(C)(C)C ZINC000186500776 402436661 /nfs/dbraw/zinc/43/66/61/402436661.db2.gz JDNPKKXVNOZNTD-CYBMUJFWSA-N 1 0 304.438 2.303 10 0 DEAERO O=C(C[C@H]1CSCC[NH2+]1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000238079053 402436894 /nfs/dbraw/zinc/43/68/94/402436894.db2.gz FETUMKVSKGLOKZ-DZGCQCFKSA-N 1 0 312.479 2.032 10 0 DEAERO O=C(c1cc(-c2cccnc2)on1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186505421 402437354 /nfs/dbraw/zinc/43/73/54/402437354.db2.gz NPGANIQCSCEYKZ-ZDUSSCGKSA-N 1 0 312.373 2.093 10 0 DEAERO O=C(C1CC[NH2+]CC1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000238103931 402437708 /nfs/dbraw/zinc/43/77/08/402437708.db2.gz GJJKZMABCXMWFT-CQSZACIVSA-N 1 0 302.374 2.078 10 0 DEAERO Cc1nc(C)n(C[C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000163049107 402440449 /nfs/dbraw/zinc/44/04/49/402440449.db2.gz YWKJFKVVJPPIER-SJORKVTESA-N 1 0 305.470 2.091 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2nc(C)c(C)s2)C1 ZINC000177853898 402441227 /nfs/dbraw/zinc/44/12/27/402441227.db2.gz IPYXUCMUOPYRFD-CYBMUJFWSA-N 1 0 310.467 2.086 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000163126949 402442411 /nfs/dbraw/zinc/44/24/11/402442411.db2.gz BOYVIRLOTCBGOW-QWHCGFSZSA-N 1 0 317.216 2.189 10 0 DEAERO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCOC2)c1 ZINC000177926651 402444578 /nfs/dbraw/zinc/44/45/78/402444578.db2.gz ZNKWCMADHBAHDB-OLZOCXBDSA-N 1 0 322.405 2.190 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)c1cc(C)c(F)cc1Cl ZINC000163307740 402447025 /nfs/dbraw/zinc/44/70/25/402447025.db2.gz FRNLZSUHSYOXPT-UHFFFAOYSA-N 1 0 316.804 2.486 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)Cc1c(C)nn(C)c1C ZINC000237055497 402392857 /nfs/dbraw/zinc/39/28/57/402392857.db2.gz LIRYNDYWKUWVQY-UHFFFAOYSA-N 1 0 300.406 2.328 10 0 DEAERO Cc1cccc(C)c1OCC[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246116895 402511241 /nfs/dbraw/zinc/51/12/41/402511241.db2.gz KSZVYKQGEMDTEO-ROUUACIJSA-N 1 0 318.461 2.335 10 0 DEAERO COc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(C)n1 ZINC000178042497 402454928 /nfs/dbraw/zinc/45/49/28/402454928.db2.gz VKCQSHQYSZLYIY-AWEZNQCLSA-N 1 0 318.421 2.491 10 0 DEAERO C[C@H](NC(=O)[C@H](C)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000245397684 402455161 /nfs/dbraw/zinc/45/51/61/402455161.db2.gz PZBJNHGLJCOYKL-XYJFISCASA-N 1 0 315.461 2.422 10 0 DEAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCn2ccnc21 ZINC000245422136 402458622 /nfs/dbraw/zinc/45/86/22/402458622.db2.gz PACXHIMJNYGREC-FZKCQIBNSA-N 1 0 318.465 2.243 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1=CCCCO1 ZINC000245417568 402458673 /nfs/dbraw/zinc/45/86/73/402458673.db2.gz ACEBJSACESDCDT-GOEBONIOSA-N 1 0 315.417 2.103 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(-c2ccco2)o1 ZINC000245423383 402459122 /nfs/dbraw/zinc/45/91/22/402459122.db2.gz JKHUHRBJFPXMPK-OLZOCXBDSA-N 1 0 302.378 2.388 10 0 DEAERO O=C(COc1ccc2c(c1)CCCC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178113512 402461573 /nfs/dbraw/zinc/46/15/73/402461573.db2.gz WMOZBEBTCAZEMO-KRWDZBQOSA-N 1 0 314.429 2.251 10 0 DEAERO C[S@@](=O)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000245469014 402464000 /nfs/dbraw/zinc/46/40/00/402464000.db2.gz LHUJQKGMVKGJSQ-RCDICMHDSA-N 1 0 321.446 2.126 10 0 DEAERO CCOc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)ccc1OC ZINC000245513631 402467011 /nfs/dbraw/zinc/46/70/11/402467011.db2.gz DFDMFRLEZGGIQR-OCCSQVGLSA-N 1 0 306.406 2.180 10 0 DEAERO O=C1NCC[C@@H]1[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000178201805 402470582 /nfs/dbraw/zinc/47/05/82/402470582.db2.gz BVNVEBPUAZPXAF-INIZCTEOSA-N 1 0 301.365 2.375 10 0 DEAERO COc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(C)n1 ZINC000245582600 402472222 /nfs/dbraw/zinc/47/22/22/402472222.db2.gz JWPPVWCHWZVGIS-YPMHNXCESA-N 1 0 304.394 2.099 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)c1cnn(C)c1C ZINC000245661414 402477374 /nfs/dbraw/zinc/47/73/74/402477374.db2.gz DFVPIQZGZOAUGC-BPLDGKMQSA-N 1 0 319.453 2.058 10 0 DEAERO CC(C)[C@H](CNC(=O)NC[C@H]1CCC(C)(C)O1)[NH+]1CCCC1 ZINC000187009892 402477937 /nfs/dbraw/zinc/47/79/37/402477937.db2.gz HPKSKTMRQLAYPH-CABCVRRESA-N 1 0 311.470 2.364 10 0 DEAERO O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000245671144 402477986 /nfs/dbraw/zinc/47/79/86/402477986.db2.gz FIRCHDVXPPSKCU-KSZLIROESA-N 1 0 311.429 2.446 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCOC2)[C@H]1c1ccccc1 ZINC000245680225 402478662 /nfs/dbraw/zinc/47/86/62/402478662.db2.gz VCGXVHBHVCZELA-HYVNUMGLSA-N 1 0 317.433 2.158 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)C[C@H](C)SC)C[C@H]1CC ZINC000245704961 402481489 /nfs/dbraw/zinc/48/14/89/402481489.db2.gz XLJMVBBESTYWRU-UONOGXRCSA-N 1 0 302.484 2.087 10 0 DEAERO COc1ccc(O)cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000187170200 402486294 /nfs/dbraw/zinc/48/62/94/402486294.db2.gz IXSXPXFCGXPLHC-UHFFFAOYSA-N 1 0 318.417 2.491 10 0 DEAERO CO[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC000187246651 402490158 /nfs/dbraw/zinc/49/01/58/402490158.db2.gz ANGPQBABECVYFA-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187265636 402490495 /nfs/dbraw/zinc/49/04/95/402490495.db2.gz DFNTVYCVHRUBCE-CABCVRRESA-N 1 0 311.470 2.364 10 0 DEAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000245859421 402491709 /nfs/dbraw/zinc/49/17/09/402491709.db2.gz OKJIMKRQQZYDPO-QGPMSJSTSA-N 1 0 302.418 2.025 10 0 DEAERO COCCC1(C[N@@H+]2CCO[C@H](CC(=O)OC)C2)CCCCC1 ZINC000187310276 402493214 /nfs/dbraw/zinc/49/32/14/402493214.db2.gz UMQXBRZTVXONHC-OAHLLOKOSA-N 1 0 313.438 2.237 10 0 DEAERO COC(=O)C[C@H]1CCC[N@@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000187304914 402493336 /nfs/dbraw/zinc/49/33/36/402493336.db2.gz DLZWPNFOZAWKIW-MRXNPFEDSA-N 1 0 308.397 2.285 10 0 DEAERO C[C@@H](NC(=O)NCCCc1ccccn1)C(C)(C)C[NH+](C)C ZINC000178401616 402493947 /nfs/dbraw/zinc/49/39/47/402493947.db2.gz NEGXEBZWMGFUHF-CQSZACIVSA-N 1 0 306.454 2.290 10 0 DEAERO CC[C@H](CSC)NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000245894855 402495464 /nfs/dbraw/zinc/49/54/64/402495464.db2.gz QWJACVKXTYQPRG-MGPQQGTHSA-N 1 0 301.500 2.500 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N1CCC([C@@H]2CCCO2)CC1 ZINC000187390246 402497831 /nfs/dbraw/zinc/49/78/31/402497831.db2.gz RZEBLUIFUBAANR-KRWDZBQOSA-N 1 0 323.481 2.463 10 0 DEAERO CC1(C)[C@H]([NH2+]CCN2C(=O)Cc3ccccc32)[C@@H]2CCCO[C@H]21 ZINC000245936783 402499025 /nfs/dbraw/zinc/49/90/25/402499025.db2.gz UCLHPQFEZCLMCS-BMGDILEWSA-N 1 0 314.429 2.369 10 0 DEAERO COc1cccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000245931973 402499089 /nfs/dbraw/zinc/49/90/89/402499089.db2.gz PNMCEYRCGLCBKW-RDJZCZTQSA-N 1 0 317.433 2.321 10 0 DEAERO CN(C[C@H]1CCCC[C@@H]1O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000245969975 402501507 /nfs/dbraw/zinc/50/15/07/402501507.db2.gz NWCNTFJPBTZJHL-ZCRFILTFSA-N 1 0 323.481 2.194 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)cnc1OC ZINC000245977607 402502032 /nfs/dbraw/zinc/50/20/32/402502032.db2.gz AIJPZVZJOCPKDI-KGLIPLIRSA-N 1 0 318.421 2.489 10 0 DEAERO C/C(=C\C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000178517857 402506758 /nfs/dbraw/zinc/50/67/58/402506758.db2.gz LXTCBYFGIYXUAP-SHRNQRGKSA-N 1 0 320.408 2.192 10 0 DEAERO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178519531 402506952 /nfs/dbraw/zinc/50/69/52/402506952.db2.gz VTVQVRJUQXNTDL-CABCVRRESA-N 1 0 324.465 2.441 10 0 DEAERO C[C@@H]1CN(CCc2c(F)cccc2Cl)CC[N@@H+]1CCO ZINC000187657004 402507342 /nfs/dbraw/zinc/50/73/42/402507342.db2.gz JCECCMVPYSFAKV-GFCCVEGCSA-N 1 0 300.805 2.020 10 0 DEAERO COC(=O)[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1F ZINC000246166608 402514317 /nfs/dbraw/zinc/51/43/17/402514317.db2.gz FBPHUIJPTLRWSV-APHBMKBZSA-N 1 0 308.397 2.358 10 0 DEAERO C[C@@H]1CN(Cc2ccc(Cl)c3cccnc23)CC[N@@H+]1CCO ZINC000187702509 402508358 /nfs/dbraw/zinc/50/83/58/402508358.db2.gz QHUXWPXDURZYTK-CYBMUJFWSA-N 1 0 319.836 2.387 10 0 DEAERO C[NH+](C)C[C@@H]1CN(CCCCCOc2ccccc2)CCO1 ZINC000189510420 402542242 /nfs/dbraw/zinc/54/22/42/402542242.db2.gz QCOAZPGMGAWZHN-GOSISDBHSA-N 1 0 306.450 2.498 10 0 DEAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246778771 402544539 /nfs/dbraw/zinc/54/45/39/402544539.db2.gz PXPDKACIGATRRQ-OKZBNKHCSA-N 1 0 309.450 2.365 10 0 DEAERO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246857481 402547563 /nfs/dbraw/zinc/54/75/63/402547563.db2.gz CLIVUJSBYXLWHY-HUUCEWRRSA-N 1 0 324.465 2.297 10 0 DEAERO CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000178876091 402548924 /nfs/dbraw/zinc/54/89/24/402548924.db2.gz PUBBHQKNUISAFF-VQHPVUNQSA-N 1 0 302.418 2.494 10 0 DEAERO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000178876100 402549173 /nfs/dbraw/zinc/54/91/73/402549173.db2.gz PUBBHQKNUISAFF-NCOADZHNSA-N 1 0 302.418 2.494 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCOCC(F)(F)F ZINC000247000455 402552865 /nfs/dbraw/zinc/55/28/65/402552865.db2.gz QBBHKJGLAMHHKR-NEPJUHHUSA-N 1 0 308.344 2.041 10 0 DEAERO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000171076874 402555119 /nfs/dbraw/zinc/55/51/19/402555119.db2.gz NZDKSYGKLKVCDQ-CQSZACIVSA-N 1 0 320.393 2.423 10 0 DEAERO COCCOc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c(C)c1 ZINC000171078863 402555192 /nfs/dbraw/zinc/55/51/92/402555192.db2.gz IOJILQONDFMRNP-AWEZNQCLSA-N 1 0 321.421 2.188 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2nnc(-c3ccsc3)s2)C1 ZINC000171080659 402555978 /nfs/dbraw/zinc/55/59/78/402555978.db2.gz KRXJBXTXBXFZTC-SNVBAGLBSA-N 1 0 323.447 2.434 10 0 DEAERO Cc1ccn(C)c1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000189816387 402560549 /nfs/dbraw/zinc/56/05/49/402560549.db2.gz KGVUTOAOZXQMCL-UHFFFAOYSA-N 1 0 303.381 2.464 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](O)COCC(C)C)C1 ZINC000247243145 402561615 /nfs/dbraw/zinc/56/16/15/402561615.db2.gz SMZJJSCAKJAMIB-HZPDHXFCSA-N 1 0 309.454 2.116 10 0 DEAERO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1cccc(-n2ccnc2)c1 ZINC000189911278 402566578 /nfs/dbraw/zinc/56/65/78/402566578.db2.gz ZWXITNHJQKWHRM-AWEZNQCLSA-N 1 0 312.417 2.391 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000247430031 402566701 /nfs/dbraw/zinc/56/67/01/402566701.db2.gz 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ZINC000253550080 402668781 /nfs/dbraw/zinc/66/87/81/402668781.db2.gz YNBUQIWYNUDOIW-GTQRCTGISA-N 1 0 320.458 2.123 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CC2(C)OCCCO2)CN1Cc1ccccc1 ZINC000192248581 402719277 /nfs/dbraw/zinc/71/92/77/402719277.db2.gz WHJMHXQRLZMGNJ-WBVHZDCISA-N 1 0 304.434 2.392 10 0 DEAERO CS[C@@H](C(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000172742703 402673062 /nfs/dbraw/zinc/67/30/62/402673062.db2.gz VCDZXELSUPMLFB-JKSUJKDBSA-N 1 0 320.458 2.024 10 0 DEAERO Cc1ccc(Cl)c(OC[C@H](O)CN2CC[NH+](C3CC3)CC2)c1 ZINC000182273590 402677910 /nfs/dbraw/zinc/67/79/10/402677910.db2.gz VYUXVKPIDHLAJN-OAHLLOKOSA-N 1 0 324.852 2.168 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2cnc(-c3ccncc3)s2)CC1 ZINC000172913331 402679992 /nfs/dbraw/zinc/67/99/92/402679992.db2.gz UDFOCQUMWYMMGN-UHFFFAOYSA-N 1 0 316.430 2.371 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCc2ccsc2)C1 ZINC000182349986 402683089 /nfs/dbraw/zinc/68/30/89/402683089.db2.gz FHUUSOOKMDZRLZ-HUUCEWRRSA-N 1 0 307.463 2.416 10 0 DEAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NCC(=O)OC(C)(C)C ZINC000182389543 402685273 /nfs/dbraw/zinc/68/52/73/402685273.db2.gz IPOQTFURJAUYHM-ZDUSSCGKSA-N 1 0 306.406 2.104 10 0 DEAERO Cc1nc(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cs1 ZINC000191773048 402691240 /nfs/dbraw/zinc/69/12/40/402691240.db2.gz MNDINLLDEOSOLR-OAHLLOKOSA-N 1 0 319.405 2.481 10 0 DEAERO Cc1csc([C@@H]2CCCN(C(=O)NC3CC[NH+](C)CC3)C2)n1 ZINC000173389859 402695706 /nfs/dbraw/zinc/69/57/06/402695706.db2.gz AFMBUQWXFQDPIT-CYBMUJFWSA-N 1 0 322.478 2.435 10 0 DEAERO Cc1ccccc1NC(=O)CCN1CCC[N@@H+](C2CC2)CC1 ZINC000173407162 402696230 /nfs/dbraw/zinc/69/62/30/402696230.db2.gz MOAXKKDNSRABOC-UHFFFAOYSA-N 1 0 301.434 2.494 10 0 DEAERO Fc1ccc(SCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173938483 402720796 /nfs/dbraw/zinc/72/07/96/402720796.db2.gz IWKMJUZSTMHXAU-OAHLLOKOSA-N 1 0 310.438 2.324 10 0 DEAERO CC(C)[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000173522209 402701446 /nfs/dbraw/zinc/70/14/46/402701446.db2.gz YLJWCLAGVLEHFV-DLBZAZTESA-N 1 0 304.434 2.215 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCc2ccccc21 ZINC000262392323 402725531 /nfs/dbraw/zinc/72/55/31/402725531.db2.gz BKNFUKHTKYLXRP-DDUZABMNSA-N 1 0 300.402 2.108 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2cc(-c3cccs3)on2)CC1 ZINC000174072113 402725898 /nfs/dbraw/zinc/72/58/98/402725898.db2.gz WQAUACAGLFRGPF-AWEZNQCLSA-N 1 0 321.446 2.292 10 0 DEAERO C[C@H]1C[NH+](CCCNC(=O)NCCC2CCCC2)C[C@H](C)O1 ZINC000192475220 402731478 /nfs/dbraw/zinc/73/14/78/402731478.db2.gz KTTQAHVZFJLMSI-GJZGRUSLSA-N 1 0 311.470 2.365 10 0 DEAERO C[C@@H]1C[NH+](CCCNC(=O)NCCC2CCCC2)C[C@@H](C)O1 ZINC000192475229 402731500 /nfs/dbraw/zinc/73/15/00/402731500.db2.gz KTTQAHVZFJLMSI-HUUCEWRRSA-N 1 0 311.470 2.365 10 0 DEAERO Cn1cc(CCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cn1 ZINC000192528335 402734777 /nfs/dbraw/zinc/73/47/77/402734777.db2.gz OOYNPBDRFYHSAB-UHFFFAOYSA-N 1 0 316.430 2.056 10 0 DEAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c(OC)c1 ZINC000183134323 402742008 /nfs/dbraw/zinc/74/20/08/402742008.db2.gz LTOUPDPTJYLVFW-XUJVJEKNSA-N 1 0 322.405 2.188 10 0 DEAERO Cc1ccccc1C(C)(C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263135182 402745015 /nfs/dbraw/zinc/74/50/15/402745015.db2.gz BZPDGUKMUJDZIN-CQSZACIVSA-N 1 0 300.406 2.280 10 0 DEAERO Cc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000183187952 402745471 /nfs/dbraw/zinc/74/54/71/402745471.db2.gz JKEHHSKGCULUHR-HOCLYGCPSA-N 1 0 311.447 2.316 10 0 DEAERO CN(C)C(=O)CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000174608158 402748331 /nfs/dbraw/zinc/74/83/31/402748331.db2.gz LHFOBIRKLQEVRG-UHFFFAOYSA-N 1 0 303.406 2.089 10 0 DEAERO CC[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1)c1ccccc1 ZINC000174622246 402748868 /nfs/dbraw/zinc/74/88/68/402748868.db2.gz QAXLXGAXCYQPDT-NXHRZFHOSA-N 1 0 318.461 2.484 10 0 DEAERO COc1ccccc1-c1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263238896 402749080 /nfs/dbraw/zinc/74/90/80/402749080.db2.gz OILGQKDLBBKMMR-AEFFLSMTSA-N 1 0 312.413 2.032 10 0 DEAERO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000192793841 402750518 /nfs/dbraw/zinc/75/05/18/402750518.db2.gz UROZBQRUYPTKFC-HOTGVXAUSA-N 1 0 314.433 2.244 10 0 DEAERO Cc1c(Cl)cccc1OCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263277623 402753146 /nfs/dbraw/zinc/75/31/46/402753146.db2.gz TVTXLJDRXMFXML-LBPRGKRZSA-N 1 0 322.796 2.187 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000183298642 402754125 /nfs/dbraw/zinc/75/41/25/402754125.db2.gz POWYTPIBSDUBBR-UHFFFAOYSA-N 1 0 304.781 2.468 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H](CCCO)c1ccccc1 ZINC000183611857 402781794 /nfs/dbraw/zinc/78/17/94/402781794.db2.gz PGWYGMLBRDHGHJ-INIZCTEOSA-N 1 0 313.401 2.391 10 0 DEAERO C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)N1CCc2ccccc21 ZINC000183342073 402758749 /nfs/dbraw/zinc/75/87/49/402758749.db2.gz PVQWDVHUMPCIQN-AWEZNQCLSA-N 1 0 324.428 2.329 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000174832278 402759449 /nfs/dbraw/zinc/75/94/49/402759449.db2.gz VEHLDXMZZLXKQQ-ROUUACIJSA-N 1 0 315.461 2.252 10 0 DEAERO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCC1(C)CCC1 ZINC000175000491 402770231 /nfs/dbraw/zinc/77/02/31/402770231.db2.gz LKGOVVNZDNUPRK-UHFFFAOYSA-N 1 0 304.438 2.345 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(F)cc1F ZINC000175031781 402773271 /nfs/dbraw/zinc/77/32/71/402773271.db2.gz LUQGIMGLRIXIRN-ZIAGYGMSSA-N 1 0 323.387 2.462 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccccc1OC ZINC000175048223 402774464 /nfs/dbraw/zinc/77/44/64/402774464.db2.gz KKAYGFNKJXYQOA-HUUCEWRRSA-N 1 0 317.433 2.192 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCC1CCCCC1 ZINC000175055476 402775478 /nfs/dbraw/zinc/77/54/78/402775478.db2.gz WRBCCOYCQXCIJO-IAGOWNOFSA-N 1 0 307.482 2.242 10 0 DEAERO CN(C)c1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)nc1 ZINC000193885435 402777422 /nfs/dbraw/zinc/77/74/22/402777422.db2.gz ZAGLTUSXKBEPIP-UHFFFAOYSA-N 1 0 317.437 2.240 10 0 DEAERO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000183624122 402782832 /nfs/dbraw/zinc/78/28/32/402782832.db2.gz NTFODRWELKQTHD-SQWLQELKSA-N 1 0 321.417 2.440 10 0 DEAERO CCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(C)c(OC)c1)CC2 ZINC000194298446 402791117 /nfs/dbraw/zinc/79/11/17/402791117.db2.gz OAPDLAOHTCZZPV-CQSZACIVSA-N 1 0 300.406 2.262 10 0 DEAERO C[C@H](CNC(=O)[C@H]1CCOC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000194334883 402792637 /nfs/dbraw/zinc/79/26/37/402792637.db2.gz NNNQZNNCKYBYAK-INMHGKMJSA-N 1 0 304.434 2.296 10 0 DEAERO COC[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000175278181 402793192 /nfs/dbraw/zinc/79/31/92/402793192.db2.gz DKFCWCHDWDFUAN-KGLIPLIRSA-N 1 0 309.410 2.141 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NCc1cccc(Cl)c1 ZINC000175357353 402799551 /nfs/dbraw/zinc/79/95/51/402799551.db2.gz FCXHLCMVOCOSMM-INIZCTEOSA-N 1 0 323.868 2.372 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](COC)c2ccc(C)o2)C1 ZINC000175361561 402800266 /nfs/dbraw/zinc/80/02/66/402800266.db2.gz GRMUDMKGIXDGEZ-KBPBESRZSA-N 1 0 309.410 2.059 10 0 DEAERO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183870481 402802458 /nfs/dbraw/zinc/80/24/58/402802458.db2.gz OZHZAOGVIJPYQW-OAHLLOKOSA-N 1 0 318.465 2.287 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000175398194 402803331 /nfs/dbraw/zinc/80/33/31/402803331.db2.gz UXOITHIRKPWOQK-HNNXBMFYSA-N 1 0 310.463 2.408 10 0 DEAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)CCC3CCC3)C2)CC1 ZINC000175407127 402804218 /nfs/dbraw/zinc/80/42/18/402804218.db2.gz LHAGNSSOWBTZBC-KRWDZBQOSA-N 1 0 307.482 2.195 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000175473594 402809651 /nfs/dbraw/zinc/80/96/51/402809651.db2.gz VMWFBHYQOXNJHJ-UHFFFAOYSA-N 1 0 321.469 2.070 10 0 DEAERO C[C@H](NC(=O)CN1CCC[N@@H+](C2CC2)CC1)c1cccs1 ZINC000195341075 402843021 /nfs/dbraw/zinc/84/30/21/402843021.db2.gz CCDZOQKJLMHSAH-ZDUSSCGKSA-N 1 0 307.463 2.095 10 0 DEAERO CC1=NN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC000194700028 402811256 /nfs/dbraw/zinc/81/12/56/402811256.db2.gz OUYSRULKKGRVEP-INIZCTEOSA-N 1 0 300.406 2.097 10 0 DEAERO COC(=O)c1coc(C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000184006982 402811558 /nfs/dbraw/zinc/81/15/58/402811558.db2.gz AGMCONVOBADMDI-UHFFFAOYSA-N 1 0 302.330 2.380 10 0 DEAERO Cc1cc(NC(=O)[C@H](C)N2CCC(C[NH+]3CCCC3)CC2)on1 ZINC000194733147 402813089 /nfs/dbraw/zinc/81/30/89/402813089.db2.gz JDAKTQPHAKQHTC-AWEZNQCLSA-N 1 0 320.437 2.118 10 0 DEAERO COC[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000175593117 402819845 /nfs/dbraw/zinc/81/98/45/402819845.db2.gz BSGGNHVEFFPVAM-DKUMPPAJSA-N 1 0 321.421 2.282 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000175671320 402824505 /nfs/dbraw/zinc/82/45/05/402824505.db2.gz XPIZVMGFBGCBKW-UHFFFAOYSA-N 1 0 322.359 2.222 10 0 DEAERO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000195031461 402828219 /nfs/dbraw/zinc/82/82/19/402828219.db2.gz CUBMUXICCZFZOI-GFCCVEGCSA-N 1 0 320.414 2.128 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2ccc(F)cc2C)C1 ZINC000175944777 402844024 /nfs/dbraw/zinc/84/40/24/402844024.db2.gz VQFXQJKPESXEFH-MRXNPFEDSA-N 1 0 307.413 2.460 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000175770324 402831078 /nfs/dbraw/zinc/83/10/78/402831078.db2.gz CXQYMODZCFPTHY-MRXNPFEDSA-N 1 0 321.469 2.270 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)N1CCc2cc(OC)ccc21 ZINC000175777355 402831639 /nfs/dbraw/zinc/83/16/39/402831639.db2.gz SPUHFRSMMHFLPQ-UHFFFAOYSA-N 1 0 305.422 2.499 10 0 DEAERO CC(C)c1cccc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000184317621 402834762 /nfs/dbraw/zinc/83/47/62/402834762.db2.gz XVZPPOWDEJBRGM-IMJJTQAJSA-N 1 0 308.447 2.168 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCCOc1ccc(F)cc1F ZINC000195316907 402841528 /nfs/dbraw/zinc/84/15/28/402841528.db2.gz CJEOGPAKOCHPDN-ZDUSSCGKSA-N 1 0 312.360 2.334 10 0 DEAERO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000183635239 402783656 /nfs/dbraw/zinc/78/36/56/402783656.db2.gz QQPCMSROVJTKEH-YJBOKZPZSA-N 1 0 312.413 2.323 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000175957183 402844932 /nfs/dbraw/zinc/84/49/32/402844932.db2.gz JVNMZAVDVXKTLE-CQSZACIVSA-N 1 0 323.437 2.484 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000195438033 402845525 /nfs/dbraw/zinc/84/55/25/402845525.db2.gz RWAJERALHRTZCC-KCXAZCMYSA-N 1 0 308.397 2.217 10 0 DEAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000184490344 402846812 /nfs/dbraw/zinc/84/68/12/402846812.db2.gz BUXJLEMLXRAIKB-ZIAGYGMSSA-N 1 0 304.438 2.410 10 0 DEAERO Cn1nccc1C1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000195501927 402847619 /nfs/dbraw/zinc/84/76/19/402847619.db2.gz GWBCFELSNKBONL-QGZVFWFLSA-N 1 0 303.381 2.472 10 0 DEAERO CCC1(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CCC1 ZINC000176020761 402848210 /nfs/dbraw/zinc/84/82/10/402848210.db2.gz XHXIYIZIZZOZMM-UHFFFAOYSA-N 1 0 322.497 2.177 10 0 DEAERO CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515996 402848759 /nfs/dbraw/zinc/84/87/59/402848759.db2.gz UYTOAOTZXXMFJZ-HNNXBMFYSA-N 1 0 318.465 2.368 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000278417856 402865361 /nfs/dbraw/zinc/86/53/61/402865361.db2.gz IAUIMIKZBGLRSS-CQSZACIVSA-N 1 0 317.433 2.131 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000278417854 402865678 /nfs/dbraw/zinc/86/56/78/402865678.db2.gz IAUIMIKZBGLRSS-AWEZNQCLSA-N 1 0 317.433 2.131 10 0 DEAERO CC(=O)c1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000265947328 402964350 /nfs/dbraw/zinc/96/43/50/402964350.db2.gz KBUNWJKECHIQAZ-GUYCJALGSA-N 1 0 302.418 2.373 10 0 DEAERO Cc1ncc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cn1 ZINC000266776476 402990462 /nfs/dbraw/zinc/99/04/62/402990462.db2.gz UUVCRNFDFBNNET-CABCVRRESA-N 1 0 303.410 2.264 10 0 DEAERO Cc1cc(C)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(=O)[nH]1 ZINC000266868365 402995466 /nfs/dbraw/zinc/99/54/66/402995466.db2.gz CMCYCAVNTLNHSB-AGUYFDCRSA-N 1 0 303.406 2.149 10 0 DEAERO COc1ccc(C[C@H](C)C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1 ZINC000179571291 286314545 /nfs/dbraw/zinc/31/45/45/286314545.db2.gz KQZCSJQSVGWGFO-RRFJBIMHSA-N 1 0 304.434 2.425 10 0 DEAERO Cc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnn1 ZINC000276368950 403168164 /nfs/dbraw/zinc/16/81/64/403168164.db2.gz KCDZNORMWZXKQX-KGLIPLIRSA-N 1 0 302.422 2.168 10 0 DEAERO CC[N@H+](CCOCCO)Cc1ccc(Br)c(F)c1 ZINC000282195526 403131015 /nfs/dbraw/zinc/13/10/15/403131015.db2.gz WUHXXTBCOWQQAG-UHFFFAOYSA-N 1 0 320.202 2.419 10 0 DEAERO Cc1cc(=O)c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cn1C1CC1 ZINC000283765362 403221495 /nfs/dbraw/zinc/22/14/95/403221495.db2.gz QOLJLYGFFZAIPJ-ZDUSSCGKSA-N 1 0 317.433 2.096 10 0 DEAERO Cc1nc2cccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2[nH]1 ZINC000283824723 403226481 /nfs/dbraw/zinc/22/64/81/403226481.db2.gz FMVHJQXYOAHWLN-AAEUAGOBSA-N 1 0 300.406 2.426 10 0 DEAERO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000271179213 403274240 /nfs/dbraw/zinc/27/42/40/403274240.db2.gz LKQVYULHEWPTTQ-DKGMDFAASA-N 1 0 308.447 2.090 10 0 DEAERO CC[N@@H+]1CC[C@@H]2OCCN(Cc3ncc(Cl)s3)[C@H]2C1 ZINC000339391773 403380202 /nfs/dbraw/zinc/38/02/02/403380202.db2.gz IHHNZGXTTMKYOS-QWRGUYRKSA-N 1 0 301.843 2.092 10 0 DEAERO c1c(C[NH2+]CCCN2CCc3ccccc32)nc2ncccn12 ZINC000298455163 403386171 /nfs/dbraw/zinc/38/61/71/403386171.db2.gz OCWAMDOYCHSDMF-UHFFFAOYSA-N 1 0 307.401 2.272 10 0 DEAERO C/C(=C\c1ccc(F)cc1)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000293247322 403424749 /nfs/dbraw/zinc/42/47/49/403424749.db2.gz FMYXABOVYVSYBY-CCEZHUSRSA-N 1 0 321.440 2.229 10 0 DEAERO NC(=O)c1cccc(CN2C[C@H](O)C[C@H]2c2ccc(F)cc2)c1 ZINC000339781029 403448085 /nfs/dbraw/zinc/44/80/85/403448085.db2.gz NPIQNSDRHRSCMU-SJORKVTESA-N 1 0 314.360 2.233 10 0 DEAERO Cn1nccc1C1=CC[N@H+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000293451275 403476375 /nfs/dbraw/zinc/47/63/75/403476375.db2.gz VXZGPLQAPBVSRT-KRWDZBQOSA-N 1 0 301.365 2.382 10 0 DEAERO Cn1cc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2-c2ccccc2)cn1 ZINC000343383203 403562394 /nfs/dbraw/zinc/56/23/94/403562394.db2.gz HICKCAPHAGIPNA-IRXDYDNUSA-N 1 0 323.400 2.226 10 0 DEAERO CN(Cc1cccc(OC2CC[NH2+]CC2)c1)Cc1cnccn1 ZINC000299784526 403574521 /nfs/dbraw/zinc/57/45/21/403574521.db2.gz IBFQPSAKVNNGNK-UHFFFAOYSA-N 1 0 312.417 2.239 10 0 DEAERO Cc1ccc2ncnc(NC[C@H](c3cnn(C)c3)[NH+](C)C)c2c1 ZINC000301305418 403613740 /nfs/dbraw/zinc/61/37/40/403613740.db2.gz XZPOWELVBANSEI-MRXNPFEDSA-N 1 0 310.405 2.387 10 0 DEAERO C[N@H+](CCO)C1(CNc2ccnc(C3CC3)n2)CCCCC1 ZINC000301289899 403611512 /nfs/dbraw/zinc/61/15/12/403611512.db2.gz PWGMZCISFCKAFT-UHFFFAOYSA-N 1 0 304.438 2.393 10 0 DEAERO C[C@@H]1OCC[C@]1(C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000332880133 403630450 /nfs/dbraw/zinc/63/04/50/403630450.db2.gz VFTQUMIORGKXPW-SCNOPHJPSA-N 1 0 317.433 2.299 10 0 DEAERO C[NH+]1CCN(c2ccc(CNc3ccnc(Cl)c3)cn2)CC1 ZINC000301625917 403655267 /nfs/dbraw/zinc/65/52/67/403655267.db2.gz QBNZWKKKQKYCPM-UHFFFAOYSA-N 1 0 317.824 2.494 10 0 DEAERO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)cs3)C[C@H]21 ZINC000301633295 403656483 /nfs/dbraw/zinc/65/64/83/403656483.db2.gz DGUJWICNQPQFEO-HUUCEWRRSA-N 1 0 301.415 2.329 10 0 DEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CCN(c3cc(C)[nH]n3)CC2)C1(C)C ZINC000333061418 403656837 /nfs/dbraw/zinc/65/68/37/403656837.db2.gz IRIJGKKQQLWQNI-UHOFOFEASA-N 1 0 306.454 2.336 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@@H]1OC ZINC000333128741 403673502 /nfs/dbraw/zinc/67/35/02/403673502.db2.gz BKSRSVZGGGJQBW-CABCVRRESA-N 1 0 323.481 2.365 10 0 DEAERO CCNC(=O)N1CCc2ccc(NC3CCC([NH3+])CC3)cc21 ZINC000333246002 403705204 /nfs/dbraw/zinc/70/52/04/403705204.db2.gz FSQCVVZURPEAJD-UHFFFAOYSA-N 1 0 302.422 2.460 10 0 DEAERO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000333017467 403648783 /nfs/dbraw/zinc/64/87/83/403648783.db2.gz HHMCKUOHLGGSNT-YVEFUNNKSA-N 1 0 312.373 2.010 10 0 DEAERO c1nc(N2CCCC2)cc(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000302808851 403728342 /nfs/dbraw/zinc/72/83/42/403728342.db2.gz XZDPTXWCZHGCAT-UHFFFAOYSA-N 1 0 315.465 2.389 10 0 DEAERO C[C@H](NC(=O)N1CCO[C@H](C2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000333474523 403760863 /nfs/dbraw/zinc/76/08/63/403760863.db2.gz BGOSEOJXRGEYIZ-UAGQMJEPSA-N 1 0 323.481 2.365 10 0 DEAERO C=Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000295293399 403835641 /nfs/dbraw/zinc/83/56/41/403835641.db2.gz UILUCICKHCJOSQ-ZFWWWQNUSA-N 1 0 308.447 2.433 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000333692397 403819113 /nfs/dbraw/zinc/81/91/13/403819113.db2.gz CQIODYDHCBASCB-VCOSZWKGSA-N 1 0 321.396 2.177 10 0 DEAERO OCc1cn([C@@H]2CCCC[C@@H]2[NH2+]CC23CCC(CC2)C3)nn1 ZINC000333706688 403824990 /nfs/dbraw/zinc/82/49/90/403824990.db2.gz PAZBVMKBTTYSSU-CBUUIXETSA-N 1 0 304.438 2.424 10 0 DEAERO CC(C)(C)OC(=O)N([C@@H](C(=[NH2+])NO)c1cccnc1)C1CC1 ZINC000409441612 403826576 /nfs/dbraw/zinc/82/65/76/403826576.db2.gz QAMGXLNZVDDARS-GFCCVEGCSA-N 1 0 306.366 2.478 10 0 DEAERO Cc1cncc(-c2nc(CN3C[C@@H]4CCC[N@H+]4C[C@H]3C)no2)c1 ZINC000333541105 403776708 /nfs/dbraw/zinc/77/67/08/403776708.db2.gz LCDOJDZSBPLHCX-HIFRSBDPSA-N 1 0 313.405 2.109 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000333588067 403785704 /nfs/dbraw/zinc/78/57/04/403785704.db2.gz ASVKSBSYJLHLGP-YGRLFVJLSA-N 1 0 323.824 2.072 10 0 DEAERO CCO[C@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000333792682 403862189 /nfs/dbraw/zinc/86/21/89/403862189.db2.gz GKXHBVPWBPWVSM-KKUMJFAQSA-N 1 0 309.454 2.118 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000333811422 403870294 /nfs/dbraw/zinc/87/02/94/403870294.db2.gz PQCJAAJUNNVYPV-ZFWWWQNUSA-N 1 0 321.396 2.481 10 0 DEAERO CC(C)C[C@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000333861986 403888869 /nfs/dbraw/zinc/88/88/69/403888869.db2.gz SIGXUIOVHGTSAP-GJZGRUSLSA-N 1 0 309.454 2.118 10 0 DEAERO CC(C)C[C@@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000333861987 403889095 /nfs/dbraw/zinc/88/90/95/403889095.db2.gz SIGXUIOVHGTSAP-HUUCEWRRSA-N 1 0 309.454 2.118 10 0 DEAERO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000308695050 403960118 /nfs/dbraw/zinc/96/01/18/403960118.db2.gz DIAJYYHKRIUVDE-KFWWJZLASA-N 1 0 302.484 2.216 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000352095574 404140442 /nfs/dbraw/zinc/14/04/42/404140442.db2.gz CHWCFBCJJVGIIF-UHFFFAOYSA-N 1 0 307.341 2.328 10 0 DEAERO CC1(C)C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@@]2(CCOC2)O1 ZINC000369555996 404141076 /nfs/dbraw/zinc/14/10/76/404141076.db2.gz IJHSSNMDXABGAG-QGZVFWFLSA-N 1 0 317.389 2.440 10 0 DEAERO C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363360313 404155335 /nfs/dbraw/zinc/15/53/35/404155335.db2.gz GEUSPMWENQKBSN-DKTLHIEFSA-N 1 0 318.392 2.208 10 0 DEAERO Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@@H]4C3(C)C)C2)nn1 ZINC000329288637 404291213 /nfs/dbraw/zinc/29/12/13/404291213.db2.gz QAOQSRUTWBGAQD-ABFRBSLYSA-N 1 0 316.449 2.157 10 0 DEAERO CN(C(=O)c1cc2ccccc2[nH]c1=O)[C@H]1C[NH+]2CCC1CC2 ZINC000329442964 404338930 /nfs/dbraw/zinc/33/89/30/404338930.db2.gz KMYVYXAKENRXPU-INIZCTEOSA-N 1 0 311.385 2.107 10 0 DEAERO O=C(c1coc(Br)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364052440 404299455 /nfs/dbraw/zinc/29/94/55/404299455.db2.gz CJOGNMVCQKUKQP-NSHDSACASA-N 1 0 313.195 2.352 10 0 DEAERO CC(C)[C@@H](C(=O)N1CCC[C@@H](c2nnc[nH]2)C1)[NH+]1CCCCC1 ZINC000364090271 404316755 /nfs/dbraw/zinc/31/67/55/404316755.db2.gz QXGRTPPQLAWZIW-CABCVRRESA-N 1 0 319.453 2.021 10 0 DEAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3nc(C(C)C)oc3C)[C@H]2C1 ZINC000329531808 404366769 /nfs/dbraw/zinc/36/67/69/404366769.db2.gz JPSYSNNFFXXJAJ-UONOGXRCSA-N 1 0 321.421 2.042 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000364451186 404400057 /nfs/dbraw/zinc/40/00/57/404400057.db2.gz YIAKIECXNSNXOJ-CQSZACIVSA-N 1 0 303.406 2.179 10 0 DEAERO Cc1n[nH]c(C)c1[C@H]1COCCN1C[C@H](O)C1CCCCC1 ZINC000373699991 404563027 /nfs/dbraw/zinc/56/30/27/404563027.db2.gz KXDKAWXOXCAANB-CVEARBPZSA-N 1 0 307.438 2.341 10 0 DEAERO Cc1nn(C)c2cc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccc12 ZINC000291891431 404568450 /nfs/dbraw/zinc/56/84/50/404568450.db2.gz WJUIVGPUPDHOPO-CQSZACIVSA-N 1 0 313.405 2.194 10 0 DEAERO CC(C)[N@@H+]1CCCN(C(=O)Nc2cn(C)nc2C2CC2)CC1 ZINC000291989403 404615104 /nfs/dbraw/zinc/61/51/04/404615104.db2.gz GOXKSIZVVDGWTN-UHFFFAOYSA-N 1 0 305.426 2.246 10 0 DEAERO Cc1nccc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1 ZINC000374034370 404673913 /nfs/dbraw/zinc/67/39/13/404673913.db2.gz HDPIFWWHCTVEKW-OAHLLOKOSA-N 1 0 310.401 2.270 10 0 DEAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1c1cccnc1 ZINC000356758336 404682553 /nfs/dbraw/zinc/68/25/53/404682553.db2.gz BRFFPYSAFVCYGH-BMFZPTHFSA-N 1 0 305.422 2.004 10 0 DEAERO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CCO1 ZINC000374687447 404710727 /nfs/dbraw/zinc/71/07/27/404710727.db2.gz OBPYUPAJNFDSPU-YVSFHVDLSA-N 1 0 311.466 2.347 10 0 DEAERO C[C@@H]1OCC[C@@]12CN(Cc1ccc(-c3cc[nH]n3)o1)CCO2 ZINC000366252554 404779954 /nfs/dbraw/zinc/77/99/54/404779954.db2.gz SJQGSLXOAQQIER-BLLLJJGKSA-N 1 0 303.362 2.050 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000415271981 404837985 /nfs/dbraw/zinc/83/79/85/404837985.db2.gz QSCCDEWGXNARNZ-MRXNPFEDSA-N 1 0 318.421 2.308 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCC[NH2+]C(C)(C)C)CC2 ZINC000366670436 404829080 /nfs/dbraw/zinc/82/90/80/404829080.db2.gz ARUHXWYIEWGXQG-LBPRGKRZSA-N 1 0 306.454 2.142 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC12COC2 ZINC000451143669 404879694 /nfs/dbraw/zinc/87/96/94/404879694.db2.gz XJTRWVHQMNZUCW-YESZJQIVSA-N 1 0 315.413 2.302 10 0 DEAERO CCOC(=O)c1cnn(C2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)c1 ZINC000451214462 404905320 /nfs/dbraw/zinc/90/53/20/404905320.db2.gz WOYSWOIBGJEZPM-OAHLLOKOSA-N 1 0 323.437 2.104 10 0 DEAERO O=C(CCn1ccnc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000360927131 404853816 /nfs/dbraw/zinc/85/38/16/404853816.db2.gz DAPPJYJVPMKIEZ-QGZVFWFLSA-N 1 0 318.465 2.388 10 0 DEAERO CC(=O)c1ccc(CC(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000423983921 404960303 /nfs/dbraw/zinc/96/03/03/404960303.db2.gz VVWPWABLBJQGPD-MSOLQXFVSA-N 1 0 314.429 2.422 10 0 DEAERO C[C@@H](c1ccco1)N(C)C(=O)NC[C@H]1CCc2nccn2C1 ZINC000378457921 404970455 /nfs/dbraw/zinc/97/04/55/404970455.db2.gz DVNFANADUIXJNZ-QWHCGFSZSA-N 1 0 302.378 2.441 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000353914821 404971439 /nfs/dbraw/zinc/97/14/39/404971439.db2.gz LJGJZBGLXUHEBB-HOTGVXAUSA-N 1 0 309.498 2.345 10 0 DEAERO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[C@](C)(O)c1ccccc1 ZINC000378561951 405002113 /nfs/dbraw/zinc/00/21/13/405002113.db2.gz JBPJIHPOSIIAHI-AOIWGVFYSA-N 1 0 316.445 2.369 10 0 DEAERO COc1cccc(CC(=O)N2C[C@H]([NH3+])CC[C@H]2C(F)(F)F)c1 ZINC000379293551 405026445 /nfs/dbraw/zinc/02/64/45/405026445.db2.gz WITXHITUVKFUCO-YPMHNXCESA-N 1 0 316.323 2.118 10 0 DEAERO Cc1scc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000367372077 405028787 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ZINC000568355531 292332976 /nfs/dbraw/zinc/33/29/76/292332976.db2.gz FAAJKYVDHFVPDB-SFHVURJKSA-N 1 0 305.418 2.377 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000390631186 405046491 /nfs/dbraw/zinc/04/64/91/405046491.db2.gz AKDZHNZTBGDHTC-QZTJIDSGSA-N 1 0 306.450 2.027 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2COCC2(C)C)cc1 ZINC000451808831 405047630 /nfs/dbraw/zinc/04/76/30/405047630.db2.gz KRQSRYXFQJYJSY-XHDPSFHLSA-N 1 0 304.390 2.231 10 0 DEAERO C[C@@H]1CCOCC[N@@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000367460164 405056452 /nfs/dbraw/zinc/05/64/52/405056452.db2.gz YYGYOZSLWUJJDX-IEBWSBKVSA-N 1 0 318.461 2.388 10 0 DEAERO O=C1[C@H](N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1C1CC1 ZINC000361400144 405056705 /nfs/dbraw/zinc/05/67/05/405056705.db2.gz MBDYYGXKWZHHAB-FUHWJXTLSA-N 1 0 319.493 2.338 10 0 DEAERO C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N(C)c1ncccc1F ZINC000367491022 405065784 /nfs/dbraw/zinc/06/57/84/405065784.db2.gz ZUNRTKDEPAETND-CHWSQXEVSA-N 1 0 314.364 2.351 10 0 DEAERO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)o1 ZINC000408097523 405111496 /nfs/dbraw/zinc/11/14/96/405111496.db2.gz MDYNRXCPNNHRIL-CQSZACIVSA-N 1 0 312.435 2.227 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)C[C@H]1CCOc2ccccc21 ZINC000152437937 292334215 /nfs/dbraw/zinc/33/42/15/292334215.db2.gz LWGHWKUKHUZVTP-OAHLLOKOSA-N 1 0 320.433 2.027 10 0 DEAERO C[C@@H]1CCOCCN1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000367685501 405125791 /nfs/dbraw/zinc/12/57/91/405125791.db2.gz QPJHJZPVADYJOA-CQSZACIVSA-N 1 0 323.412 2.078 10 0 DEAERO C[C@H]1CC(CC[N@@H+]2CCC[C@H]2CS(N)(=O)=O)C[C@H](C)C1 ZINC000408245657 405151483 /nfs/dbraw/zinc/15/14/83/405151483.db2.gz HURSBFPHAIJYDK-NFAWXSAZSA-N 1 0 302.484 2.202 10 0 DEAERO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2nnc3n2CCCC3)C1 ZINC000408352804 405183487 /nfs/dbraw/zinc/18/34/87/405183487.db2.gz VCODOZUDELWXOO-SUMWQHHRSA-N 1 0 306.454 2.281 10 0 DEAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)CCCc2cccnc2)C1 ZINC000453146774 405287295 /nfs/dbraw/zinc/28/72/95/405287295.db2.gz 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CCc1ccc(CC[NH+]2CCN(C(C)(C)C(=O)OC)CC2)cc1 ZINC000494449960 405698297 /nfs/dbraw/zinc/69/82/97/405698297.db2.gz ZDVLOBPZRDHNPG-UHFFFAOYSA-N 1 0 318.461 2.361 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c1C ZINC000636087321 405728303 /nfs/dbraw/zinc/72/83/03/405728303.db2.gz OUQKKFDCRJPTBA-QWHCGFSZSA-N 1 0 305.422 2.293 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000638888159 405742480 /nfs/dbraw/zinc/74/24/80/405742480.db2.gz NCENBPLELTVDAQ-RKDXNWHRSA-N 1 0 315.186 2.255 10 0 DEAERO Cc1ncc(C(F)(F)F)cc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638902120 405750618 /nfs/dbraw/zinc/75/06/18/405750618.db2.gz OGHSMRXHGOTGIT-WCBMZHEXSA-N 1 0 301.312 2.076 10 0 DEAERO CN1C(=O)C[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)[C@@H]1c1cccnc1 ZINC000583616566 405775221 /nfs/dbraw/zinc/77/52/21/405775221.db2.gz LAQOMLOGEGPGKB-AEFFLSMTSA-N 1 0 321.384 2.020 10 0 DEAERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C)C(=O)CC1CC1 ZINC000583619520 405775988 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CCOC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@H](OC)C2)cc1 ZINC000471800705 406120260 /nfs/dbraw/zinc/12/02/60/406120260.db2.gz WPRCCCXGXVLETL-ZBFHGGJFSA-N 1 0 307.390 2.286 10 0 DEAERO c1nc2n(n1)[C@H](C[N@@H+](CCc1ccccc1)[C@H]1CCOC1)CC2 ZINC000639527045 406129871 /nfs/dbraw/zinc/12/98/71/406129871.db2.gz MTFVDKFGFCUGRL-IRXDYDNUSA-N 1 0 312.417 2.099 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000567994865 406177420 /nfs/dbraw/zinc/17/74/20/406177420.db2.gz XEMHDOKKOIUDLZ-RDJZCZTQSA-N 1 0 324.490 2.150 10 0 DEAERO CC1(C)C[N@H+](C[C@H](O)COC[C@H]2CCCO2)Cc2ccccc21 ZINC000534668167 406192119 /nfs/dbraw/zinc/19/21/19/406192119.db2.gz MLTDSDIZVCZMCX-DLBZAZTESA-N 1 0 319.445 2.336 10 0 DEAERO COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N(C)CCC[NH+](C)C)c1 ZINC000568155377 406198036 /nfs/dbraw/zinc/19/80/36/406198036.db2.gz CAFRWPVVFSNOKS-ZBFHGGJFSA-N 1 0 320.433 2.217 10 0 DEAERO C[C@@]1(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CC1(F)F ZINC000634650008 406207183 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CS[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000245591604 286693312 /nfs/dbraw/zinc/69/33/12/286693312.db2.gz BCOJUQCAVQUJSD-RBSFLKMASA-N 1 0 309.479 2.316 10 0 DEAERO Cc1ccc(F)c(C[N@H+](C)C[C@H](O)COC[C@@H]2CCCO2)c1 ZINC000520715507 406310456 /nfs/dbraw/zinc/31/04/56/406310456.db2.gz GDAAQRJZPYZRSW-HOTGVXAUSA-N 1 0 311.397 2.122 10 0 DEAERO c1nc([C@@H](NCc2cccc3c2CC[NH2+]C3)c2ccccc2)n[nH]1 ZINC000635008708 406397503 /nfs/dbraw/zinc/39/75/03/406397503.db2.gz GTEKAZWKNZAQGW-SFHVURJKSA-N 1 0 319.412 2.330 10 0 DEAERO CCC1(CC)C[N@H+](C[C@H](O)COC[C@H]2CCCO2)CCS1 ZINC000547337531 406399494 /nfs/dbraw/zinc/39/94/94/406399494.db2.gz WHMLZCFPNTVOAC-LSDHHAIUSA-N 1 0 317.495 2.151 10 0 DEAERO C([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1nnc2n1CCCC2 ZINC000547397040 406406394 /nfs/dbraw/zinc/40/63/94/406406394.db2.gz CLANFBNGDVIXST-SOUVJXGZSA-N 1 0 304.438 2.299 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]CCCOC2CCCCC2)CC1 ZINC000634951454 406367547 /nfs/dbraw/zinc/36/75/47/406367547.db2.gz WRQORSGEGJQQAU-AWEZNQCLSA-N 1 0 303.468 2.283 10 0 DEAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCS(=O)(=O)CC2)CCO1 ZINC000634973383 406379655 /nfs/dbraw/zinc/37/96/55/406379655.db2.gz ACXFBKBQZPRZOL-IHRRRGAJSA-N 1 0 303.468 2.137 10 0 DEAERO Cc1ccc(NC(=O)[C@]2(C)C[NH2+]CCO2)cc1Br ZINC000637905424 406471481 /nfs/dbraw/zinc/47/14/81/406471481.db2.gz NCECJZUCIVPODP-ZDUSSCGKSA-N 1 0 313.195 2.075 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000637911159 406473819 /nfs/dbraw/zinc/47/38/19/406473819.db2.gz YFWLJJQCMMNAQM-FHWLQOOXSA-N 1 0 323.440 2.118 10 0 DEAERO CC[N@H+](CC(=O)NCc1ccncc1C(F)(F)F)C1CC1 ZINC000548066816 406475663 /nfs/dbraw/zinc/47/56/63/406475663.db2.gz FIRQWOXRGFVLRV-UHFFFAOYSA-N 1 0 301.312 2.201 10 0 DEAERO COC[C@]1(C(=O)NCCc2ccc(Cl)s2)CCCC[NH2+]1 ZINC000637935362 406485292 /nfs/dbraw/zinc/48/52/92/406485292.db2.gz GWLUXSHTSBIISO-AWEZNQCLSA-N 1 0 316.854 2.219 10 0 DEAERO COc1ccc(Br)c(NC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000637950569 406492256 /nfs/dbraw/zinc/49/22/56/406492256.db2.gz DBPVIFAPMYZVAQ-SECBINFHSA-N 1 0 311.179 2.444 10 0 DEAERO COc1ccc(NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000637868712 406454906 /nfs/dbraw/zinc/45/49/06/406454906.db2.gz ITOWFDPXXUDKLE-KRWDZBQOSA-N 1 0 313.401 2.093 10 0 DEAERO C[C@@H](NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C1CC1 ZINC000637892402 406465422 /nfs/dbraw/zinc/46/54/22/406465422.db2.gz JFIFLYRIUPAWHQ-OAHLLOKOSA-N 1 0 315.461 2.285 10 0 DEAERO CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)C2 ZINC000526010069 406532551 /nfs/dbraw/zinc/53/25/51/406532551.db2.gz NFFYGVBIAGLKDH-MGPQQGTHSA-N 1 0 318.465 2.189 10 0 DEAERO CCC1(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)COC1 ZINC000571581077 406539204 /nfs/dbraw/zinc/53/92/04/406539204.db2.gz ZSVLRAOXSUVHRO-INIZCTEOSA-N 1 0 302.418 2.051 10 0 DEAERO c1[nH]nc2cc(C[NH2+]Cc3ccnc(N4CCOCC4)c3)ccc12 ZINC000551005287 406609361 /nfs/dbraw/zinc/60/93/61/406609361.db2.gz GRSGHLWIMHMBDB-UHFFFAOYSA-N 1 0 323.400 2.084 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCCc2ccc(F)c(F)c2)CC1 ZINC000527291367 406611605 /nfs/dbraw/zinc/61/16/05/406611605.db2.gz VZPSDIBAQMQUOM-UHFFFAOYSA-N 1 0 323.387 2.459 10 0 DEAERO C[C@@H](CNC(=O)NCCOCC1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000572452904 406670548 /nfs/dbraw/zinc/67/05/48/406670548.db2.gz FUZFGYAGPKVLBT-CABCVRRESA-N 1 0 311.470 2.223 10 0 DEAERO c1csc([C@H](C[NH2+]Cc2ccns2)N2CCOCC2)c1 ZINC000638292743 406677480 /nfs/dbraw/zinc/67/74/80/406677480.db2.gz ILONFXMTXCNMNX-ZDUSSCGKSA-N 1 0 309.460 2.368 10 0 DEAERO c1cc(CN2CCOCC2)ccc1C[NH2+]CCC[C@H]1CCO1 ZINC000638305276 406686725 /nfs/dbraw/zinc/68/67/25/406686725.db2.gz TYRIUFBGEJNQIH-SFHVURJKSA-N 1 0 304.434 2.178 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1csc(C(F)(F)F)c1)C(F)(F)F ZINC000638396255 406747825 /nfs/dbraw/zinc/74/78/25/406747825.db2.gz AKJMWJSEKRVOGG-YFKPBYRVSA-N 1 0 306.231 2.386 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCOC[C@H]2C)CC1 ZINC000553657055 406769946 /nfs/dbraw/zinc/76/99/46/406769946.db2.gz WNINGEFGPQMQDJ-GDBMZVCRSA-N 1 0 311.470 2.080 10 0 DEAERO COc1ccc(C[C@@H](C)NC(=O)CCCC[NH+](C)C)cc1OC ZINC000552757460 406721411 /nfs/dbraw/zinc/72/14/11/406721411.db2.gz KIXJJKQKKIAOCU-CQSZACIVSA-N 1 0 322.449 2.483 10 0 DEAERO CC(C)([NH3+])c1nocc1C(=O)N1CCC(c2ccncc2)CC1 ZINC000570105806 292463888 /nfs/dbraw/zinc/46/38/88/292463888.db2.gz CZZNTGOOAUWGQD-UHFFFAOYSA-N 1 0 314.389 2.283 10 0 DEAERO C[C@@H]([NH3+])Cc1c(Cl)cccc1OCC(=O)NCC(F)(F)F ZINC000128690368 195984468 /nfs/dbraw/zinc/98/44/68/195984468.db2.gz SCWLJHHQPUERFD-MRVPVSSYSA-N 1 0 324.730 2.287 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000246532676 287219070 /nfs/dbraw/zinc/21/90/70/287219070.db2.gz IXMPLQNRYLZPJO-PFUJJPPESA-N 1 0 318.461 2.467 10 0 DEAERO CC1(C)CC[C@@H](C[NH3+])[C@H](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000128862666 195999449 /nfs/dbraw/zinc/99/94/49/195999449.db2.gz ILIZBXIGFMVUPJ-SOUVJXGZSA-N 1 0 316.511 2.449 10 0 DEAERO CCN(C[C@@H](C)C[NH3+])c1nccn2nc(C(F)(F)F)cc12 ZINC000128938227 196005551 /nfs/dbraw/zinc/00/55/51/196005551.db2.gz ZXFGUBRQINUJMO-VIFPVBQESA-N 1 0 301.316 2.169 10 0 DEAERO C[C@@H](CC[NH2+]C(C)(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000129025848 196012886 /nfs/dbraw/zinc/01/28/86/196012886.db2.gz CRLWQICRFIOVAP-UONOGXRCSA-N 1 0 304.500 2.462 10 0 DEAERO CC[C@@H]([NH3+])[C@H](O)c1ncc(Br)cc1Br ZINC000129046299 196014811 /nfs/dbraw/zinc/01/48/11/196014811.db2.gz GJAHXRDTJSBBPF-APPZFPTMSA-N 1 0 324.016 2.377 10 0 DEAERO Cc1cc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c(C)s1 ZINC000129165654 196025928 /nfs/dbraw/zinc/02/59/28/196025928.db2.gz MFHBRGAUKLICRX-CYBMUJFWSA-N 1 0 302.465 2.033 10 0 DEAERO CC[NH2+]C1CCC(O[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000129302762 196037322 /nfs/dbraw/zinc/03/73/22/196037322.db2.gz SKKJAWYLWJTWQL-NEXFUWMNSA-N 1 0 303.468 2.280 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@]1(O)CCC[NH2+]CC1 ZINC000129360520 196041606 /nfs/dbraw/zinc/04/16/06/196041606.db2.gz JQTGAJSIFNNMPA-ZDUSSCGKSA-N 1 0 316.243 2.021 10 0 DEAERO CC(C)(CC[NH2+]C1CC1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129487129 196052622 /nfs/dbraw/zinc/05/26/22/196052622.db2.gz HZCZVIHHQMFFPS-ZDUSSCGKSA-N 1 0 302.484 2.216 10 0 DEAERO COc1ccc(Oc2ncc(C[NH3+])cn2)c(Br)c1 ZINC000129609006 196061763 /nfs/dbraw/zinc/06/17/63/196061763.db2.gz SNZRCBWGEDYSDQ-UHFFFAOYSA-N 1 0 310.151 2.499 10 0 DEAERO C[NH2+]C1(C)CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000129831342 196079382 /nfs/dbraw/zinc/07/93/82/196079382.db2.gz OKKVQAXKQGGQBI-UHFFFAOYSA-N 1 0 301.184 2.256 10 0 DEAERO CCCC[C@H](C[NH3+])Nc1nc2ccc(Br)cn2n1 ZINC000130579432 196092340 /nfs/dbraw/zinc/09/23/40/196092340.db2.gz ONUCNHSAJJQXJK-SNVBAGLBSA-N 1 0 312.215 2.421 10 0 DEAERO C[NH2+]C[C@H]1CCCCC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000130698169 196102445 /nfs/dbraw/zinc/10/24/45/196102445.db2.gz QEPFNZDVRAKTRC-HRCADAONSA-N 1 0 316.511 2.464 10 0 DEAERO C[NH2+]C[C@H]1CCCCC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000130697792 196102499 /nfs/dbraw/zinc/10/24/99/196102499.db2.gz QEPFNZDVRAKTRC-ARFHVFGLSA-N 1 0 316.511 2.464 10 0 DEAERO O=S(=O)(CC[C@H]1CCCC[NH2+]1)NCCCCC(F)(F)F ZINC000130824531 196112630 /nfs/dbraw/zinc/11/26/30/196112630.db2.gz CGRQDZHYSANSOW-LLVKDONJSA-N 1 0 316.389 2.171 10 0 DEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)NCCCC(F)(F)F)cc1 ZINC000130866858 196117896 /nfs/dbraw/zinc/11/78/96/196117896.db2.gz JDYNTFJSJWUHBD-VIFPVBQESA-N 1 0 310.341 2.327 10 0 DEAERO COCC[NH2+]CCN(C)Cc1cc(C)cc(Br)c1 ZINC000130910994 196122222 /nfs/dbraw/zinc/12/22/22/196122222.db2.gz JUWDAPAOLVZHAB-UHFFFAOYSA-N 1 0 315.255 2.425 10 0 DEAERO NC(=[NH2+])c1ncccc1Sc1nnc(C2CC2)n1C1CC1 ZINC000130940657 196125398 /nfs/dbraw/zinc/12/53/98/196125398.db2.gz CCNWUOJBKOOTJL-UHFFFAOYSA-N 1 0 300.391 2.321 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1ccc(OC)cc1F ZINC000131013045 196131552 /nfs/dbraw/zinc/13/15/52/196131552.db2.gz KMMIDEMVCLXUFD-CQSZACIVSA-N 1 0 303.399 2.310 10 0 DEAERO CCC[NH2+][C@@](CO)(CSc1nc(CC)ns1)C1CC1 ZINC000131007724 196131952 /nfs/dbraw/zinc/13/19/52/196131952.db2.gz WSKXYXSBUAHAGQ-ZDUSSCGKSA-N 1 0 301.481 2.333 10 0 DEAERO Brc1ccccc1Cc1ncc2c(n1)CC[NH2+]C2 ZINC000131092363 196139809 /nfs/dbraw/zinc/13/98/09/196139809.db2.gz QTNCMULCAGKRIG-UHFFFAOYSA-N 1 0 304.191 2.476 10 0 DEAERO C[C@H](CN1CCOCC1)NC1=[NH+]CC2(CCCCC2)CS1 ZINC000131121112 196141917 /nfs/dbraw/zinc/14/19/17/196141917.db2.gz UAIGGJDLUWTKIS-CQSZACIVSA-N 1 0 311.495 2.350 10 0 DEAERO C[NH2+]Cc1ccc(C)c(S(=O)(=O)NCCCC(F)(F)F)c1 ZINC000131215497 196150513 /nfs/dbraw/zinc/15/05/13/196150513.db2.gz GWQJZRQWRGWPLP-UHFFFAOYSA-N 1 0 324.368 2.335 10 0 DEAERO CCO[C@H](C)CNS(=O)(=O)c1cccc([C@@H](CC)[NH2+]C)c1 ZINC000131228213 196151285 /nfs/dbraw/zinc/15/12/85/196151285.db2.gz BKWUTQTWKNTELO-IUODEOHRSA-N 1 0 314.451 2.060 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)c1ccc(OC)cc1OC ZINC000131233653 196152303 /nfs/dbraw/zinc/15/23/03/196152303.db2.gz VALKDHWNXMPWTH-AWEZNQCLSA-N 1 0 315.435 2.179 10 0 DEAERO Cc1cccc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])c1Br ZINC000131436477 196168730 /nfs/dbraw/zinc/16/87/30/196168730.db2.gz NTVYSTSVBMNVSR-ZWNOBZJWSA-N 1 0 313.195 2.060 10 0 DEAERO Cc1ccc([C@@H]2NCC(=O)N2[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000131435648 196169086 /nfs/dbraw/zinc/16/90/86/196169086.db2.gz PVCCVBLDLPFPPR-DVOMOZLQSA-N 1 0 305.447 2.114 10 0 DEAERO Cc1cccc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])c1Br ZINC000131436709 196169392 /nfs/dbraw/zinc/16/93/92/196169392.db2.gz NTVYSTSVBMNVSR-MFKMUULPSA-N 1 0 313.195 2.060 10 0 DEAERO CCC[NH2+][C@@H](Cc1cccc(F)c1F)[C@@H](C)S(C)(=O)=O ZINC000131485613 196173740 /nfs/dbraw/zinc/17/37/40/196173740.db2.gz JOQGTAAHTHTIHB-MFKMUULPSA-N 1 0 305.390 2.309 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C(=O)/C=C(/C)c2ccccc2)CC1 ZINC000131645773 196186951 /nfs/dbraw/zinc/18/69/51/196186951.db2.gz FTOPBZGCRGGDBW-REZBVGGZSA-N 1 0 302.418 2.005 10 0 DEAERO CSC[C@H](C)N(C)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000131651195 196187743 /nfs/dbraw/zinc/18/77/43/196187743.db2.gz QEQGHZBQJBREMN-FZMZJTMJSA-N 1 0 305.447 2.248 10 0 DEAERO Cc1cc(Br)c(N2CC[C@@H]([NH3+])C2=O)cc1Cl ZINC000131883452 196207129 /nfs/dbraw/zinc/20/71/29/196207129.db2.gz LBECRPVAFKQMEN-SECBINFHSA-N 1 0 303.587 2.475 10 0 DEAERO CCN(CC)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000132051257 196222011 /nfs/dbraw/zinc/22/20/11/196222011.db2.gz CVGYFHJVRDJBIQ-UHFFFAOYSA-N 1 0 317.433 2.132 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000132486216 196259187 /nfs/dbraw/zinc/25/91/87/196259187.db2.gz GZUSEKPABKBCLX-VHSXEESVSA-N 1 0 322.352 2.154 10 0 DEAERO COC[C@@H](C)[C@@H]1C[NH+]=C(N)N1c1cccc(Br)c1 ZINC000132497312 196260366 /nfs/dbraw/zinc/26/03/66/196260366.db2.gz RBTHWJIVIDYMBT-SKDRFNHKSA-N 1 0 312.211 2.235 10 0 DEAERO CC(C)[N@@H+]1CCC[C@@](O)(c2c(Br)cnn2C)CC1 ZINC000132513123 196261683 /nfs/dbraw/zinc/26/16/83/196261683.db2.gz LFUNAJVRGFZQRK-ZDUSSCGKSA-N 1 0 316.243 2.265 10 0 DEAERO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000132564942 196266913 /nfs/dbraw/zinc/26/69/13/196266913.db2.gz GYLAIRMUGCDXPF-MRXNPFEDSA-N 1 0 317.433 2.170 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CSCCS1 ZINC000132578798 196267385 /nfs/dbraw/zinc/26/73/85/196267385.db2.gz LFSOKGOTPKXAIM-CABCVRRESA-N 1 0 324.515 2.124 10 0 DEAERO Cc1ccc([C@@H](C[NH3+])N[C@H](C)CCO)c(Br)c1 ZINC000132684461 196275754 /nfs/dbraw/zinc/27/57/54/196275754.db2.gz QLAOUAJDTVLABQ-ZWNOBZJWSA-N 1 0 301.228 2.118 10 0 DEAERO CCOc1cncc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000132821263 196286999 /nfs/dbraw/zinc/28/69/99/196286999.db2.gz CKWTYUTVOYDIKU-CABCVRRESA-N 1 0 320.437 2.055 10 0 DEAERO C[C@@H]([NH2+]CCn1c(=O)cccc1C(F)(F)F)[C@H]1CCCO1 ZINC000132827375 196287687 /nfs/dbraw/zinc/28/76/87/196287687.db2.gz WDGGJKOBRVVWGR-GHMZBOCLSA-N 1 0 304.312 2.024 10 0 DEAERO CCC[C@H](C(=O)N(C)Cc1ccc([S@@](C)=O)cc1)[NH+](C)C ZINC000132844235 196289733 /nfs/dbraw/zinc/28/97/33/196289733.db2.gz JQAKMQPPBYTLMO-VFNWGFHPSA-N 1 0 310.463 2.113 10 0 DEAERO CN(C)C(=O)N1CCC([NH3+])(c2nc(C(C)(C)C)cs2)CC1 ZINC000132901367 196294485 /nfs/dbraw/zinc/29/44/85/196294485.db2.gz BJVXDDGULDPRQI-UHFFFAOYSA-N 1 0 310.467 2.372 10 0 DEAERO CCc1noc(CC)c1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000132999672 196303412 /nfs/dbraw/zinc/30/34/12/196303412.db2.gz HWPXWNHETYADBK-ZDUSSCGKSA-N 1 0 320.437 2.179 10 0 DEAERO COc1ccc(Br)c(C[C@@H](O)[C@H]2CCC[NH2+]C2)c1 ZINC000133047417 196307415 /nfs/dbraw/zinc/30/74/15/196307415.db2.gz HIBGCLSQZZDMAM-IINYFYTJSA-N 1 0 314.223 2.361 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCCOC2)C1 ZINC000246286951 287272035 /nfs/dbraw/zinc/27/20/35/287272035.db2.gz CRECTWJGVOWIFI-IKGGRYGDSA-N 1 0 323.481 2.461 10 0 DEAERO C[C@H]([NH3+])CCCC(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000133255530 196325580 /nfs/dbraw/zinc/32/55/80/196325580.db2.gz JDRIWMMYPFGLJI-JTQLQIEISA-N 1 0 307.785 2.377 10 0 DEAERO CC(=O)NC1CCN([C@H](c2ccc(Cl)s2)[C@@H](C)[NH3+])CC1 ZINC000133741383 196333324 /nfs/dbraw/zinc/33/33/24/196333324.db2.gz GRCLYWMNXIZZMV-OTYXRUKQSA-N 1 0 315.870 2.390 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC000133764445 196334439 /nfs/dbraw/zinc/33/44/39/196334439.db2.gz RLRCWSVAMJANMG-HOCLYGCPSA-N 1 0 323.481 2.460 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CC[C@H](NC(C)=O)C1 ZINC000133765390 196335094 /nfs/dbraw/zinc/33/50/94/196335094.db2.gz SRKSZFPGHIGCPA-RCBQFDQVSA-N 1 0 309.841 2.329 10 0 DEAERO C[C@@](C[NH3+])(Nc1ccccc1S(=O)(=O)C(F)F)C1CC1 ZINC000133794269 196336197 /nfs/dbraw/zinc/33/61/97/196336197.db2.gz FBLSASWVLFWVEP-ZDUSSCGKSA-N 1 0 304.362 2.222 10 0 DEAERO CCOC(=O)Cc1csc(N2CC[NH+](CC(C)C)CC2)n1 ZINC000133952160 196349070 /nfs/dbraw/zinc/34/90/70/196349070.db2.gz UXYUFKOTIJYAOH-UHFFFAOYSA-N 1 0 311.451 2.027 10 0 DEAERO C(c1nn2c(nnc2C2CCCC2)s1)[C@H]1CSCC[NH2+]1 ZINC000133980403 196350958 /nfs/dbraw/zinc/35/09/58/196350958.db2.gz QJEXIZUBXBKWFQ-JTQLQIEISA-N 1 0 309.464 2.091 10 0 DEAERO CCn1ncc(NC[C@@H](C)C[NH+]2CCCCC2)c(Cl)c1=O ZINC000134007595 196353225 /nfs/dbraw/zinc/35/32/25/196353225.db2.gz KWCWJPVGOKBSGH-GFCCVEGCSA-N 1 0 312.845 2.451 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000134039422 196356105 /nfs/dbraw/zinc/35/61/05/196356105.db2.gz GFOZJHAAVKFSAQ-RKDXNWHRSA-N 1 0 300.200 2.046 10 0 DEAERO C[C@H]1C[C@H]1C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000134039626 196356174 /nfs/dbraw/zinc/35/61/74/196356174.db2.gz GFOZJHAAVKFSAQ-DTWKUNHWSA-N 1 0 300.200 2.046 10 0 DEAERO CC[C@@H](CCO)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000134382612 196384433 /nfs/dbraw/zinc/38/44/33/196384433.db2.gz HAZWMKQOVAAAJC-STQMWFEESA-N 1 0 301.228 2.200 10 0 DEAERO CCc1cc(C)c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000135014444 196438598 /nfs/dbraw/zinc/43/85/98/196438598.db2.gz QAESNVYSYOLCGC-UHFFFAOYSA-N 1 0 320.433 2.335 10 0 DEAERO CC[C@](C)(C(N)=S)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000136322901 196531564 /nfs/dbraw/zinc/53/15/64/196531564.db2.gz LRSBBTMOGSYXJR-MRXNPFEDSA-N 1 0 311.495 2.166 10 0 DEAERO Cc1ccc(/C=C/CC(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000189412631 225050342 /nfs/dbraw/zinc/05/03/42/225050342.db2.gz UUDJKJSWTWRRHD-DUXPYHPUSA-N 1 0 302.418 2.237 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(O)cc1O)c1ccccc1 ZINC000192932959 225145819 /nfs/dbraw/zinc/14/58/19/225145819.db2.gz SNJAHTVUVCPNEC-OAHLLOKOSA-N 1 0 300.358 2.131 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)c1c[nH]c2cc(F)ccc12 ZINC000192890757 225145868 /nfs/dbraw/zinc/14/58/68/225145868.db2.gz IJMYWUXGKOUBCF-UHFFFAOYSA-N 1 0 307.369 2.005 10 0 DEAERO C[NH+](C)C1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000192953247 225147176 /nfs/dbraw/zinc/14/71/76/225147176.db2.gz NDCCDLYUQMYMET-UHFFFAOYSA-N 1 0 316.405 2.129 10 0 DEAERO c1coc([C@@H](C[NH2+]Cc2cn3cccnc3n2)N2CCCC2)c1 ZINC000298179548 228398375 /nfs/dbraw/zinc/39/83/75/228398375.db2.gz YJYLCBIKNQBXOI-OAHLLOKOSA-N 1 0 311.389 2.249 10 0 DEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccccc1OCC1CC1 ZINC000417710382 229075420 /nfs/dbraw/zinc/07/54/20/229075420.db2.gz CDGLQFNURHLIKQ-SWLSCSKDSA-N 1 0 303.406 2.107 10 0 DEAERO NC(=O)c1cncc(NCC2([NH+]3CCCCC3)CCCCC2)n1 ZINC000301731678 229859284 /nfs/dbraw/zinc/85/92/84/229859284.db2.gz PHCGMHKVZWODAW-UHFFFAOYSA-N 1 0 317.437 2.176 10 0 DEAERO c1ccc(-c2nc(NCCCC[NH+]3CCOCC3)no2)cc1 ZINC000302129649 230110866 /nfs/dbraw/zinc/11/08/66/230110866.db2.gz XQTWWCBTGFLGOK-UHFFFAOYSA-N 1 0 302.378 2.261 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](c2cc(N)n[nH]2)C1 ZINC000616631188 422516678 /nfs/dbraw/zinc/51/66/78/422516678.db2.gz YEJZVTWFVLNTJD-GFCCVEGCSA-N 1 0 323.441 2.086 10 0 DEAERO CC(C)([NH3+])c1cn(Cc2csc(Br)c2)nn1 ZINC000069679957 424842133 /nfs/dbraw/zinc/84/21/33/424842133.db2.gz NKUHWDKCSBAQJF-UHFFFAOYSA-N 1 0 301.213 2.344 10 0 DEAERO CCCc1cc(NCC[N@@H+]2CCCC[C@@H]2C)n2ncnc2n1 ZINC000194269950 424874577 /nfs/dbraw/zinc/87/45/77/424874577.db2.gz HDSKGJFJBGRNMW-ZDUSSCGKSA-N 1 0 302.426 2.363 10 0 DEAERO CCC1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000194452184 424875945 /nfs/dbraw/zinc/87/59/45/424875945.db2.gz ZLOUTBUOZYXXQV-UYSNPLJNSA-N 1 0 311.470 2.101 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCCOc2ccc(OC)cc2)C1 ZINC000194630200 424878030 /nfs/dbraw/zinc/87/80/30/424878030.db2.gz PNIYFGDIBBHIJT-OAHLLOKOSA-N 1 0 320.433 2.455 10 0 DEAERO O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000195128216 424880208 /nfs/dbraw/zinc/88/02/08/424880208.db2.gz KAFCPCKWMRIZSX-LBPRGKRZSA-N 1 0 300.324 2.364 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2nnc(C3CCCC3)o2)C1 ZINC000155674987 424862219 /nfs/dbraw/zinc/86/22/19/424862219.db2.gz YFSZVXFDZKZHPG-CQSZACIVSA-N 1 0 320.437 2.260 10 0 DEAERO CNC(=O)Cc1nc(CN(C)CCCc2ccccc2)cs1 ZINC000177565177 424863843 /nfs/dbraw/zinc/86/38/43/424863843.db2.gz PYEJAAXBTHIIGU-UHFFFAOYSA-N 1 0 317.458 2.496 10 0 DEAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCN(CC)CC2)cc1 ZINC000192661987 424864513 /nfs/dbraw/zinc/86/45/13/424864513.db2.gz DHFOZTCVDDHQHJ-CVEARBPZSA-N 1 0 317.477 2.452 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C2COCCOC2)CCN1Cc1ccccc1 ZINC000379635990 424907847 /nfs/dbraw/zinc/90/78/47/424907847.db2.gz WRIHBCITSSMXNP-NVXWUHKLSA-N 1 0 304.434 2.045 10 0 DEAERO CNC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1N ZINC000382391225 424909288 /nfs/dbraw/zinc/90/92/88/424909288.db2.gz USPPQABLXXXKEU-NSHDSACASA-N 1 0 302.205 2.286 10 0 DEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000384066685 424910577 /nfs/dbraw/zinc/91/05/77/424910577.db2.gz IMXQTMGBEDYKOZ-IRXDYDNUSA-N 1 0 304.434 2.425 10 0 DEAERO CN(Cc1ccc(Br)cn1)[C@H]1C[NH+]2CCC1CC2 ZINC000385747452 424911922 /nfs/dbraw/zinc/91/19/22/424911922.db2.gz RATZREKJFGVDBZ-AWEZNQCLSA-N 1 0 310.239 2.370 10 0 DEAERO c1coc(-c2noc(CN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000386969329 424912286 /nfs/dbraw/zinc/91/22/86/424912286.db2.gz XXXQQOPMIZSRTP-STQMWFEESA-N 1 0 302.378 2.294 10 0 DEAERO CC[C@@H](C)n1nc(NC(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000333145894 424919528 /nfs/dbraw/zinc/91/95/28/424919528.db2.gz LVARWFSRPNZTIF-OCCSQVGLSA-N 1 0 307.442 2.768 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1noc2ccc(Br)cc21 ZINC000333395653 424921317 /nfs/dbraw/zinc/92/13/17/424921317.db2.gz AGYREGVSKNANGX-KCJUWKMLSA-N 1 0 310.195 3.000 10 0 DEAERO O[C@]1(CC[NH2+]Cc2cc(F)cc(Br)c2)CCOC1 ZINC000404147983 424925215 /nfs/dbraw/zinc/92/52/15/424925215.db2.gz NAKLKTXQHWLGTF-CYBMUJFWSA-N 1 0 318.186 2.219 10 0 DEAERO CC[C@@H]1CN(C(=O)c2nscc2Br)CC[C@H]1[NH3+] ZINC000404804756 424930060 /nfs/dbraw/zinc/93/00/60/424930060.db2.gz XDZRCGIDNAVIMY-VXNVDRBHSA-N 1 0 318.240 2.105 10 0 DEAERO CC[C@@H]1CN(Cc2ccc(C)c(OC)c2)CC[N@@H+]1C[C@H](C)O ZINC000248998756 424886757 /nfs/dbraw/zinc/88/67/57/424886757.db2.gz PUPBXGWBNMQRMM-DOTOQJQBSA-N 1 0 306.450 2.281 10 0 DEAERO CN(Cc1ccccc1)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000302891723 424892660 /nfs/dbraw/zinc/89/26/60/424892660.db2.gz JXOTZXZCWPRKKX-MSOLQXFVSA-N 1 0 315.461 2.109 10 0 DEAERO C[N@@H+]1CC[C@@H](CNc2ccnc(C3CC3)n2)[C@@H]1c1cccnc1 ZINC000328640950 424901855 /nfs/dbraw/zinc/90/18/55/424901855.db2.gz XRHXYKOUFWAQSO-RDJZCZTQSA-N 1 0 309.417 2.854 10 0 DEAERO C[N@@H+]1CCCN(C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000583849868 424986679 /nfs/dbraw/zinc/98/66/79/424986679.db2.gz NJKYIBLZJQDFMB-UHFFFAOYSA-N 1 0 306.410 2.676 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2ccc(N)nc2)C1 ZINC000616620778 425098201 /nfs/dbraw/zinc/09/82/01/425098201.db2.gz SQBLJNOQMCPUPO-CQSZACIVSA-N 1 0 320.437 2.368 10 0 DEAERO CCn1cc([C@@H]2OCCC[C@H]2C[NH2+]CCn2ccnc2C)cn1 ZINC000657338092 425308973 /nfs/dbraw/zinc/30/89/73/425308973.db2.gz PJEJDOIPVFVCEB-DOTOQJQBSA-N 1 0 317.437 2.165 10 0 DEAERO CC(C)NC(=O)CC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000084134024 267382535 /nfs/dbraw/zinc/38/25/35/267382535.db2.gz ADWRIKNOLCRDQE-KRWDZBQOSA-N 1 0 304.434 2.235 10 0 DEAERO Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657697580 425386794 /nfs/dbraw/zinc/38/67/94/425386794.db2.gz QDGSLOMPOBBYNV-NSHDSACASA-N 1 0 311.223 2.325 10 0 DEAERO COc1ccc(C[NH2+]C2CC(CO)C2)c(Br)c1 ZINC000657810532 425403732 /nfs/dbraw/zinc/40/37/32/425403732.db2.gz GANLIQWYRMLASQ-UHFFFAOYSA-N 1 0 300.196 2.318 10 0 DEAERO CCC[C@@H](NC(=O)C[NH2+][C@H](C(=O)NC)C(C)C)c1ccccc1 ZINC000183677630 267630383 /nfs/dbraw/zinc/63/03/83/267630383.db2.gz KZNHMKRHHCCJHZ-WBVHZDCISA-N 1 0 319.449 2.004 10 0 DEAERO COc1cccc([C@H](C)C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000194425482 267787788 /nfs/dbraw/zinc/78/77/88/267787788.db2.gz BJKVEAVVZDLZBT-HNNXBMFYSA-N 1 0 320.433 2.027 10 0 DEAERO CC(C)Oc1ncccc1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333190164 268900732 /nfs/dbraw/zinc/90/07/32/268900732.db2.gz UTXYSASSRJQSHW-UHFFFAOYSA-N 1 0 318.421 2.476 10 0 DEAERO Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn2ccnc12 ZINC000333272816 268917288 /nfs/dbraw/zinc/91/72/88/268917288.db2.gz GIQSYOZNGJDMCX-AEGPPILISA-N 1 0 313.405 2.234 10 0 DEAERO COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333287978 268920149 /nfs/dbraw/zinc/92/01/49/268920149.db2.gz NVMYSPBNGKDFMO-LBPRGKRZSA-N 1 0 321.396 2.433 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC000333468680 268951814 /nfs/dbraw/zinc/95/18/14/268951814.db2.gz AMLJFQYNKIWNSI-HZPDHXFCSA-N 1 0 321.396 2.051 10 0 DEAERO CCc1cnccc1[C@@H](C)NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333485379 268954762 /nfs/dbraw/zinc/95/47/62/268954762.db2.gz BWNJTDKYHAQXHQ-CQSZACIVSA-N 1 0 316.449 2.490 10 0 DEAERO c1nc2c(nc1NC1CC[NH+](C[C@H]3CCOC3)CC1)CCCC2 ZINC000333616610 268962732 /nfs/dbraw/zinc/96/27/32/268962732.db2.gz YUCMSVYOHBKXBL-CQSZACIVSA-N 1 0 316.449 2.268 10 0 DEAERO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[C@@H](C)C2)cc1 ZINC000333629446 268965456 /nfs/dbraw/zinc/96/54/56/268965456.db2.gz GIXBIRWUHGHJMZ-XOKHGSTOSA-N 1 0 317.433 2.192 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](C3CCCCC3)C2)C1 ZINC000333660830 268972964 /nfs/dbraw/zinc/97/29/64/268972964.db2.gz LMZPHVZDNFTCLI-KBMXLJTQSA-N 1 0 309.454 2.105 10 0 DEAERO COc1cc(C)cc(CNC(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000333853687 268997228 /nfs/dbraw/zinc/99/72/28/268997228.db2.gz QMWCBJLQKRBQGD-UHFFFAOYSA-N 1 0 303.406 2.041 10 0 DEAERO O=C(NCCOC1CCCCC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333932954 269005951 /nfs/dbraw/zinc/00/59/51/269005951.db2.gz HHJCGIOOLKYHIU-UHFFFAOYSA-N 1 0 309.454 2.121 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000363718805 269073665 /nfs/dbraw/zinc/07/36/65/269073665.db2.gz NSOAAYXZBHRIRZ-IAGOWNOFSA-N 1 0 316.449 2.140 10 0 DEAERO CC[C@H]([NH2+]Cc1nn(C)cc1Br)[C@H]1CCOC1 ZINC000393338056 269099271 /nfs/dbraw/zinc/09/92/71/269099271.db2.gz NOIKZVMUOVVXCJ-ONGXEEELSA-N 1 0 302.216 2.087 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2coc(Br)c2)CC[N@@H+]1C ZINC000393539872 269100010 /nfs/dbraw/zinc/10/00/10/269100010.db2.gz XJYQPCSLSRDAMQ-WCBMZHEXSA-N 1 0 301.184 2.255 10 0 DEAERO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ncsc1Br ZINC000516694585 269367319 /nfs/dbraw/zinc/36/73/19/269367319.db2.gz IYCFMQFMMWBKHV-QMMMGPOBSA-N 1 0 320.256 2.364 10 0 DEAERO COC1([C@H](C)[NH2+][C@H]2COc3c(C)cccc3C2)CCOCC1 ZINC000453247103 274015792 /nfs/dbraw/zinc/01/57/92/274015792.db2.gz HJHARMYTDPUFSP-GOEBONIOSA-N 1 0 305.418 2.472 10 0 DEAERO C[C@]([NH3+])(C(=O)N1CCn2c3ccccc3nc21)c1ccccc1 ZINC000195233774 274647635 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CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CCc3ncnn3C1)CCC2 ZINC000180608098 276691918 /nfs/dbraw/zinc/69/19/18/276691918.db2.gz MLNNSEOPBJTGBV-QWRGUYRKSA-N 1 0 303.435 2.279 10 0 DEAERO C[NH+]1CCC(NC(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000276514059 277029972 /nfs/dbraw/zinc/02/99/72/277029972.db2.gz JSGGOTNDIVIQMJ-UHFFFAOYSA-N 1 0 308.329 2.378 10 0 DEAERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000248812587 277374953 /nfs/dbraw/zinc/37/49/53/277374953.db2.gz HYEVBFPDPSMSTE-XIRDDKMYSA-N 1 0 316.401 2.419 10 0 DEAERO C[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C[NH3+])C1 ZINC000261598520 277757996 /nfs/dbraw/zinc/75/79/96/277757996.db2.gz QAQKHPJIJMOOHY-PWSUYJOCSA-N 1 0 318.389 2.247 10 0 DEAERO CS(=O)(=O)N(CC[N@@H+]1CCCC12CCC2)Cc1ccccc1 ZINC000373102995 278108411 /nfs/dbraw/zinc/10/84/11/278108411.db2.gz CQKLCABQTIHDBL-UHFFFAOYSA-N 1 0 322.474 2.467 10 0 DEAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000182120360 278115716 /nfs/dbraw/zinc/11/57/16/278115716.db2.gz 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WTORYAZBMGPUKW-RRWNYDGOSA-N 1 0 322.474 2.397 10 0 DEAERO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cn1 ZINC000128619948 519154408 /nfs/dbraw/zinc/15/44/08/519154408.db2.gz NTPISQDFUVBLPD-CQSZACIVSA-N 1 0 302.426 2.142 10 0 DEAERO c1nc2cnccn2c1C[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000299744863 534538050 /nfs/dbraw/zinc/53/80/50/534538050.db2.gz VAOBDRRFQCFZKZ-AWEZNQCLSA-N 1 0 322.416 2.252 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)c2c(C)noc2C)C1 ZINC000246922123 521620605 /nfs/dbraw/zinc/62/06/05/521620605.db2.gz YLOJNTHEJZYRDS-SMDDNHRTSA-N 1 0 308.426 2.178 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCCCNc2ccccn2)C1 ZINC000105174572 521644250 /nfs/dbraw/zinc/64/42/50/521644250.db2.gz YLJFUQVOUXISRR-HNNXBMFYSA-N 1 0 319.453 2.057 10 0 DEAERO CCc1cnc(CCNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000237008821 522003681 /nfs/dbraw/zinc/00/36/81/522003681.db2.gz OLCTWTPZDBNOSN-STQMWFEESA-N 1 0 309.479 2.390 10 0 DEAERO COc1cc(C)ccc1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000155830693 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CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([C@H](O)C(N)=O)CC1 ZINC000299748217 529178769 /nfs/dbraw/zinc/17/87/69/529178769.db2.gz GLWKXVOUVCPSES-CABCVRRESA-N 1 0 310.825 2.349 10 0 DEAERO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1 ZINC000449756320 534953192 /nfs/dbraw/zinc/95/31/92/534953192.db2.gz QBVWONXGKSACHM-LSDHHAIUSA-N 1 0 318.417 2.386 10 0 DEAERO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H]1COCCO1 ZINC000450750696 534985269 /nfs/dbraw/zinc/98/52/69/534985269.db2.gz BRXGNDXCAOUBBF-MSOLQXFVSA-N 1 0 306.450 2.148 10 0 DEAERO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000449786169 535243045 /nfs/dbraw/zinc/24/30/45/535243045.db2.gz LULASRCSKPQMOQ-HNNXBMFYSA-N 1 0 310.463 2.005 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSCc2cccnc2)C1 ZINC000247012958 535255929 /nfs/dbraw/zinc/25/59/29/535255929.db2.gz HFDMWZRCNBKVIN-UKRRQHHQSA-N 1 0 307.463 2.160 10 0 DEAERO CC1CCC(OC2CCN(C(=O)C3([NH3+])CCOCC3)CC2)CC1 ZINC000261662740 535266986 /nfs/dbraw/zinc/26/69/86/535266986.db2.gz 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CLUILJLLGSICOB-XOKHGSTOSA-N 1 0 320.433 2.276 10 0 DEAERO COc1ccc([C@H](NC(=O)C2C[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000262204404 536922240 /nfs/dbraw/zinc/92/22/40/536922240.db2.gz HUKGRRJBJJIDIC-QGZVFWFLSA-N 1 0 314.360 2.259 10 0 DEAERO COc1ccccc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246186806 537045007 /nfs/dbraw/zinc/04/50/07/537045007.db2.gz HOGDESRXYBCZLP-UKRRQHHQSA-N 1 0 305.422 2.223 10 0 DEAERO COc1cccc(COCc2noc([C@H]3C[C@]34CC[NH2+]C4)n2)c1 ZINC000261777022 537109817 /nfs/dbraw/zinc/10/98/17/537109817.db2.gz NOOZTFKHPOTACC-PBHICJAKSA-N 1 0 315.373 2.262 10 0 DEAERO CN1CC[NH+]([C@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000685952327 568422161 /nfs/dbraw/zinc/42/21/61/568422161.db2.gz GDIRCOGGYIWCCT-QGZVFWFLSA-N 1 0 311.470 2.414 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)/C=C\c1ccccc1 ZINC000254999697 622909005 /nfs/dbraw/zinc/90/90/05/622909005.db2.gz XDGQCKBDRLWABY-WVUXNXBLSA-N 1 0 308.447 2.451 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCOC2)[C@@H]1c1ccccc1 ZINC000193694848 625657931 /nfs/dbraw/zinc/65/79/31/625657931.db2.gz LAJXNPDEQRCPGU-ZVZYQTTQSA-N 1 0 302.418 2.365 10 0 DEAERO COc1ccccc1C/C(C)=C\C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000255293941 624111797 /nfs/dbraw/zinc/11/17/97/624111797.db2.gz NPFCZDAZLXSIDP-OBEJXRGXSA-N 1 0 302.418 2.347 10 0 DEAERO O[C@@H]1C[C@H](c2nnc[nH]2)C[C@@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000888076294 625050593 /nfs/dbraw/zinc/05/05/93/625050593.db2.gz UVIQQUZTKYCASU-RBSFLKMASA-N 1 0 312.373 2.195 10 0 DEAERO [NH2+]=C(NCCCSc1ccc(F)cc1)NC[C@@H]1CCCO1 ZINC000066242297 625056574 /nfs/dbraw/zinc/05/65/74/625056574.db2.gz OOEACQYYCLEXHA-ZDUSSCGKSA-N 1 0 311.426 2.391 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)/C=C\c2ccccc2)C1 ZINC000255558240 625087138 /nfs/dbraw/zinc/08/71/38/625087138.db2.gz RLXDRJFAKYKGCQ-NRXPATIISA-N 1 0 308.447 2.305 10 0 DEAERO COCC[C@H]([NH3+])C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000052809740 625106418 /nfs/dbraw/zinc/10/64/18/625106418.db2.gz KENVILQHLPIFJU-ZDUSSCGKSA-N 1 0 305.403 2.421 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)O[C@@H](C)COC)cc2)CC1 ZINC000180051421 625173926 /nfs/dbraw/zinc/17/39/26/625173926.db2.gz RSOQWPZXQSHXGW-AWEZNQCLSA-N 1 0 306.406 2.020 10 0 DEAERO O=C(C[NH2+][C@H]1CCOC2(CCCC2)C1)NCc1ccccc1 ZINC000309578101 625278263 /nfs/dbraw/zinc/27/82/63/625278263.db2.gz YBRPWQHMERJPRY-INIZCTEOSA-N 1 0 302.418 2.384 10 0 DEAERO CC(C)[C@@H]([NH2+]Cc1cccc(Br)c1F)C(N)=O ZINC000394914464 625822938 /nfs/dbraw/zinc/82/29/38/625822938.db2.gz QUONEXDHZHZFBB-LLVKDONJSA-N 1 0 303.175 2.188 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C)c3c[nH]nc32)C1 ZINC000736993836 635189292 /nfs/dbraw/zinc/18/92/92/635189292.db2.gz MDBLFCFMKREXEO-LBPRGKRZSA-N 1 0 301.394 2.335 10 0 DEAERO CCn1nc(C)c([C@H](C)[NH2+]CC(=O)NCc2ccccc2)c1C ZINC000320732245 635665723 /nfs/dbraw/zinc/66/57/23/635665723.db2.gz KNTPQFJHEYITJA-ZDUSSCGKSA-N 1 0 314.433 2.487 10 0 DEAERO C[NH2+]C1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000237070402 636369488 /nfs/dbraw/zinc/36/94/88/636369488.db2.gz OBIJZIHOWKCDSR-UHFFFAOYSA-N 1 0 316.323 2.295 10 0 DEAERO c1nnc(C2CC2)n1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000108376721 636734431 /nfs/dbraw/zinc/73/44/31/636734431.db2.gz JAOZBZAGHUBFAQ-RRFJBIMHSA-N 1 0 302.422 2.093 10 0 DEAERO C/C(=C/C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000745600593 638276325 /nfs/dbraw/zinc/27/63/25/638276325.db2.gz QUXGZLAXUSQBPB-QBFSEMIESA-N 1 0 322.449 2.265 10 0 DEAERO COC(=O)/C(C)=C/C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000746499593 638350443 /nfs/dbraw/zinc/35/04/43/638350443.db2.gz LLYBZEXBSPIIHC-RIYZIHGNSA-N 1 0 316.401 2.000 10 0 DEAERO COC(=O)/C(C)=C\C[NH2+]C1(c2ccc(OC)cc2)CCOCC1 ZINC000748817957 638595287 /nfs/dbraw/zinc/59/52/87/638595287.db2.gz PZTBAQVFEUYBGD-ZSOIEALJSA-N 1 0 319.401 2.410 10 0 DEAERO c1cn(-c2cc(C[NH2+]Cc3cnn4ccccc34)ccn2)cn1 ZINC000729680187 640824586 /nfs/dbraw/zinc/82/45/86/640824586.db2.gz YRIVKWFLTMMLCR-UHFFFAOYSA-N 1 0 304.357 2.205 10 0 DEAERO CCON1CCC([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC000323530054 642055927 /nfs/dbraw/zinc/05/59/27/642055927.db2.gz WPQIKUVEUBPDML-ZDUSSCGKSA-N 1 0 315.458 2.247 10 0 DEAERO Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000794010558 644343630 /nfs/dbraw/zinc/34/36/30/644343630.db2.gz SUOHGKWITLABGU-HNNXBMFYSA-N 1 0 306.797 2.250 10 0 DEAERO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCO[C@@H](C(F)F)C1 ZINC000801008657 645329876 /nfs/dbraw/zinc/32/98/76/645329876.db2.gz IAHYJZGCUBJLDF-HUUCEWRRSA-N 1 0 324.371 2.144 10 0 DEAERO C[NH+](C)CCOc1ccc(CN2CCO[C@@H](C(F)F)C2)cc1 ZINC000802654330 645540746 /nfs/dbraw/zinc/54/07/46/645540746.db2.gz WMJBHVMJMKZYDE-OAHLLOKOSA-N 1 0 314.376 2.093 10 0 DEAERO C[C@@H]1CCC[C@@](CNC(=O)Cc2ccc(F)cn2)([NH+](C)C)C1 ZINC000806546582 645844773 /nfs/dbraw/zinc/84/47/73/645844773.db2.gz TWUSVGZQZKTYOG-CXAGYDPISA-N 1 0 307.413 2.390 10 0 DEAERO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]CCC(=O)N(C)OC)c1 ZINC000806626922 645854712 /nfs/dbraw/zinc/85/47/12/645854712.db2.gz JAXRWBOUOPBNQZ-CYBMUJFWSA-N 1 0 321.421 2.171 10 0 DEAERO 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[NH3+]C1CC(CNS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000715110991 792383237 /nfs/dbraw/zinc/38/32/37/792383237.db2.gz XSRGWYAXCGRKFA-UHFFFAOYSA-N 1 0 309.218 2.009 10 0 DEAERO CS(=O)(=O)C1CC([NH2+]Cc2csc(Br)c2)C1 ZINC000716068306 792556577 /nfs/dbraw/zinc/55/65/77/792556577.db2.gz DIIKPAHTNZTQBS-UHFFFAOYSA-N 1 0 324.265 2.176 10 0 DEAERO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000716444719 792959087 /nfs/dbraw/zinc/95/90/87/792959087.db2.gz ANZPCKNUOLRHEU-CHWSQXEVSA-N 1 0 308.426 2.453 10 0 DEAERO C[C@@H]1CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)CN1C(=O)OC(C)(C)C ZINC000716752582 793004969 /nfs/dbraw/zinc/00/49/69/793004969.db2.gz MFNBOQVDCJWKCU-IJLUTSLNSA-N 1 0 322.396 2.380 10 0 DEAERO COC[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000245679179 797955323 /nfs/dbraw/zinc/95/53/23/797955323.db2.gz USIURASNTJSNGP-IXDOHACOSA-N 1 0 317.433 2.156 10 0 DEAERO [NH3+][C@@H]1CN(c2nnc(C(F)F)s2)CC[C@H]1C(F)(F)F ZINC000716985004 798338321 /nfs/dbraw/zinc/33/83/21/798338321.db2.gz 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801827606 /nfs/dbraw/zinc/82/76/06/801827606.db2.gz NWZYVAGQVCKEKI-CYBMUJFWSA-N 1 0 314.838 2.293 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCc2ccnn2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401676295 801839677 /nfs/dbraw/zinc/83/96/77/801839677.db2.gz DMTNBAAUPHLTGY-KBPBESRZSA-N 1 0 322.453 2.198 10 0 DEAERO CCc1nnc(CN[C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)[nH]1 ZINC000401796583 801852392 /nfs/dbraw/zinc/85/23/92/801852392.db2.gz JVJYDGNNVVUKHK-RYUDHWBXSA-N 1 0 323.441 2.102 10 0 DEAERO C[C@@H](Nc1nccnc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000402805659 801910824 /nfs/dbraw/zinc/91/08/24/801910824.db2.gz BOUQUWQVEUATQY-UKRRQHHQSA-N 1 0 300.381 2.360 10 0 DEAERO Cn1cnc(C[NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)c1 ZINC000404653897 802027244 /nfs/dbraw/zinc/02/72/44/802027244.db2.gz SJDNDGPSOWENQG-UHFFFAOYSA-N 1 0 308.426 2.205 10 0 DEAERO C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(C(=O)[O-])CC1 ZINC000691536165 976360718 /nfs/dbraw/zinc/36/07/18/976360718.db2.gz NVSOSHYOAYFHFQ-MRXNPFEDSA-N 1 0 302.418 2.305 10 0 DEAERO CSc1ccc(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)cc1 ZINC000037649973 1078206658 /nfs/dbraw/zinc/20/66/58/1078206658.db2.gz DLQGUEUNPMFHPQ-UHFFFAOYSA-N 1 0 322.455 2.346 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000725075737 1078800614 /nfs/dbraw/zinc/80/06/14/1078800614.db2.gz YPRFCQPEEZGEFD-LLVKDONJSA-N 1 0 302.465 2.031 10 0 DEAERO c1ncn(CC[NH2+]Cc2ccccc2OCc2ccccn2)n1 ZINC000065934309 1079817845 /nfs/dbraw/zinc/81/78/45/1079817845.db2.gz FJBYVARYVMDNRF-UHFFFAOYSA-N 1 0 309.373 2.042 10 0 DEAERO Cc1ccc(NC(=O)Cn2nnc3ccccc32)c(C[NH+](C)C)c1 ZINC000072840002 1080165810 /nfs/dbraw/zinc/16/58/10/1080165810.db2.gz FVKBFBKANFZCMZ-UHFFFAOYSA-N 1 0 323.400 2.440 10 0 DEAERO CN1CC[C@H]1C[NH2+]Cc1ccc(I)cc1 ZINC000712527706 1081482545 /nfs/dbraw/zinc/48/25/45/1081482545.db2.gz BLEYNCDVZVUIQK-LBPRGKRZSA-N 1 0 316.186 2.085 10 0 DEAERO C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(C(F)(F)F)s1 ZINC000717981596 1081854836 /nfs/dbraw/zinc/85/48/36/1081854836.db2.gz GBGAPEYOSLTWSM-SKDRFNHKSA-N 1 0 308.369 2.484 10 0 DEAERO OC1(CCNCc2cocn2)CC[NH+](Cc2ccccc2)CC1 ZINC000718010645 1081863426 /nfs/dbraw/zinc/86/34/26/1081863426.db2.gz JJFMVHLTPUYBBQ-UHFFFAOYSA-N 1 0 315.417 2.181 10 0 DEAERO O=c1[nH]c2ccccc2cc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000076866660 1082263404 /nfs/dbraw/zinc/26/34/04/1082263404.db2.gz LVFLGZYCHWZSKZ-UHFFFAOYSA-N 1 0 314.385 2.303 10 0 DEAERO C[C@@H]1C[C@H]1C[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000721939222 1084715585 /nfs/dbraw/zinc/71/55/85/1084715585.db2.gz BNBXUMVDAZOHLB-KGLIPLIRSA-N 1 0 311.470 2.221 10 0 DEAERO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)nc1Br ZINC000720646712 1085803507 /nfs/dbraw/zinc/80/35/07/1085803507.db2.gz QZKWZFZPKLTJAE-QWRGUYRKSA-N 1 0 302.216 2.230 10 0 DEAERO Cn1cc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c(Br)n1 ZINC000720657956 1085818699 /nfs/dbraw/zinc/81/86/99/1085818699.db2.gz XSACEWUTWVWGFV-VXGBXAGGSA-N 1 0 314.227 2.230 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H]1[NH3+] ZINC000720836665 1086201145 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Cc1nc(C)c(C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)s1 ZINC000703306408 1086493785 /nfs/dbraw/zinc/49/37/85/1086493785.db2.gz RMMUPMUPUBBSLX-LLVKDONJSA-N 1 0 313.423 2.400 10 0 DEAERO C[C@H](CC(=O)NCCC1SCCS1)[C@H]1CCC[NH2+]C1 ZINC000703343065 1086494052 /nfs/dbraw/zinc/49/40/52/1086494052.db2.gz ZDOZNNQXVMGXOZ-NEPJUHHUSA-N 1 0 302.509 2.325 10 0 DEAERO COc1ccc(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)cc1 ZINC000703381247 1086496650 /nfs/dbraw/zinc/49/66/50/1086496650.db2.gz ONCSBWSCQWPXKW-ZDUSSCGKSA-N 1 0 308.378 2.336 10 0 DEAERO COC1(C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CCCC1 ZINC000703396916 1086498436 /nfs/dbraw/zinc/49/84/36/1086498436.db2.gz JVTNDBZZYVPAJE-GFCCVEGCSA-N 1 0 300.399 2.086 10 0 DEAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc(F)c(F)cc1Cl)C2 ZINC000703550522 1086515526 /nfs/dbraw/zinc/51/55/26/1086515526.db2.gz QVHYAKABVDHIQL-RMLUDKJBSA-N 1 0 300.736 2.300 10 0 DEAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cc1ccc(Br)cc1)C2 ZINC000703548621 1086515581 /nfs/dbraw/zinc/51/55/81/1086515581.db2.gz BEQIRBHSTPDDGI-SWLSCSKDSA-N 1 0 323.234 2.060 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)CCO1 ZINC000705913872 1086629259 /nfs/dbraw/zinc/62/92/59/1086629259.db2.gz GZKZMEVMBYCBTJ-ZIAGYGMSSA-N 1 0 316.442 2.027 10 0 DEAERO C[C@H](CN1CCCCC1)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710838504 1086689138 /nfs/dbraw/zinc/68/91/38/1086689138.db2.gz VTTVELMGVNSUAS-CQSZACIVSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)COCc1ccccc1 ZINC000711250160 1087035979 /nfs/dbraw/zinc/03/59/79/1087035979.db2.gz NOSKXCSWRNHOIJ-GOEBONIOSA-N 1 0 304.434 2.201 10 0 DEAERO C[C@H](Cn1ccnc1)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711409804 1087097750 /nfs/dbraw/zinc/09/77/50/1087097750.db2.gz DHUGUEXLIOMMQX-MCIONIFRSA-N 1 0 308.426 2.165 10 0 DEAERO Cc1nnc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC000711489425 1087138147 /nfs/dbraw/zinc/13/81/47/1087138147.db2.gz FNPSAGWQIUJTMG-PHIMTYICSA-N 1 0 312.439 2.239 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cnccn3)CCC[C@H]12 ZINC000711641656 1087184633 /nfs/dbraw/zinc/18/46/33/1087184633.db2.gz UHGLASDBAKOPMU-YOEHRIQHSA-N 1 0 318.421 2.498 10 0 DEAERO C[C@@H](CC(=O)NCc1cnc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000718163658 1088394855 /nfs/dbraw/zinc/39/48/55/1088394855.db2.gz HYXGUDAXERSJGI-UWVGGRQHSA-N 1 0 301.843 2.439 10 0 DEAERO Cc1nc(CN2CC[NH2+]CC2(C)C)sc1Br ZINC000719240957 1088912203 /nfs/dbraw/zinc/91/22/03/1088912203.db2.gz NLFQLBDOWMOAQW-UHFFFAOYSA-N 1 0 304.257 2.398 10 0 DEAERO Cc1nc(CNCC2([NH+](C)C)CC2)sc1Br ZINC000719318753 1088936815 /nfs/dbraw/zinc/93/68/15/1088936815.db2.gz XPURUKDISLHAJW-UHFFFAOYSA-N 1 0 304.257 2.398 10 0 DEAERO CC[S@@](=O)CCNCc1nc(C)c(Br)s1 ZINC000719326853 1088954622 /nfs/dbraw/zinc/95/46/22/1088954622.db2.gz JGCXDDUMUGMPPR-OAHLLOKOSA-N 1 0 311.270 2.072 10 0 DEAERO Clc1cnc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)s1 ZINC000719386262 1089054073 /nfs/dbraw/zinc/05/40/73/1089054073.db2.gz RWSVMTUGLMJIPC-NXEZZACHSA-N 1 0 303.884 2.466 10 0 DEAERO C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CCN1C ZINC000719579515 1089312183 /nfs/dbraw/zinc/31/21/83/1089312183.db2.gz HUBFEMCFJNEAOJ-KBUPBQIOSA-N 1 0 311.470 2.362 10 0 DEAERO CC[C@H](C(N)=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000720078209 1089457776 /nfs/dbraw/zinc/45/77/76/1089457776.db2.gz NUWPCEWBRUHNBC-DLBZAZTESA-N 1 0 303.450 2.237 10 0 DEAERO [NH3+][C@@H]1CN(C(=O)c2cccnc2Cl)CC[C@@H]1C(F)(F)F ZINC000717056619 1092516745 /nfs/dbraw/zinc/51/67/45/1092516745.db2.gz BPASZEMAISBQJI-DTWKUNHWSA-N 1 0 307.703 2.087 10 0 DEAERO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)[C@H]1CCCOC1 ZINC000724100003 1143949490 /nfs/dbraw/zinc/94/94/90/1143949490.db2.gz ASMJEEXFIFEINC-GUBZILKMSA-N 1 0 305.287 2.340 10 0 DEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)SCCS(C)(=O)=O ZINC000081768869 192322275 /nfs/dbraw/zinc/32/22/75/192322275.db2.gz ISOBQUCXLVFOPQ-BXUZGUMPSA-N 1 0 317.476 2.122 10 0 DEAERO C[NH2+][C@H](CSCCS(C)(=O)=O)c1ccc(C)cc1C ZINC000081768414 192322302 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ZINC000081879766 192334295 /nfs/dbraw/zinc/33/42/95/192334295.db2.gz QVPPTPNNJSTUMN-QWHCGFSZSA-N 1 0 304.419 2.088 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1Sc1nncs1)OCCO2 ZINC000081881946 192334521 /nfs/dbraw/zinc/33/45/21/192334521.db2.gz ZFGTWWLWKLSKQA-GHMZBOCLSA-N 1 0 315.464 2.294 10 0 DEAERO CC[C@H](Sc1n[nH]c(=O)n1C1CC1)[C@@H]([NH3+])c1ccccc1 ZINC000081880282 192334527 /nfs/dbraw/zinc/33/45/27/192334527.db2.gz GUUFGUYFHDLEIW-STQMWFEESA-N 1 0 304.419 2.477 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccccc1Cl ZINC000081920552 192338437 /nfs/dbraw/zinc/33/84/37/192338437.db2.gz DVSQGTKQZVIJDW-GXTWGEPZSA-N 1 0 317.838 2.271 10 0 DEAERO COc1ccc([C@@H]([NH3+])CS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000081921034 192338645 /nfs/dbraw/zinc/33/86/45/192338645.db2.gz UYAAQGLZHOXPJP-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO CC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000081919964 192339047 /nfs/dbraw/zinc/33/90/47/192339047.db2.gz ORKXAXYGJMLHSC-JKSUJKDBSA-N 1 0 311.447 2.351 10 0 DEAERO CCC[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1S(=O)(=O)CC ZINC000081925728 192340182 /nfs/dbraw/zinc/34/01/82/192340182.db2.gz RVXFIXGUCKNMJD-HZPDHXFCSA-N 1 0 311.447 2.485 10 0 DEAERO C[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000081922747 192340229 /nfs/dbraw/zinc/34/02/29/192340229.db2.gz OJORPOJAXLUTJS-PWSUYJOCSA-N 1 0 324.229 2.144 10 0 DEAERO CCC[NH2+]C[C@@H](C)Cc1c(Br)cnn1CCOC ZINC000163216372 197618110 /nfs/dbraw/zinc/61/81/10/197618110.db2.gz DTSGLQGOIAJBQH-NSHDSACASA-N 1 0 318.259 2.470 10 0 DEAERO CC(C)(C[NH3+])NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000151918876 282130058 /nfs/dbraw/zinc/13/00/58/282130058.db2.gz DEEAOZHOOIVHPW-RYUDHWBXSA-N 1 0 311.223 2.406 10 0 DEAERO Cc1ccccc1NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000096780255 185387348 /nfs/dbraw/zinc/38/73/48/185387348.db2.gz XDNNNBHISJVWJR-UHFFFAOYSA-N 1 0 310.401 2.394 10 0 DEAERO C[C@@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)c1ccccc1 ZINC000096780279 185387395 /nfs/dbraw/zinc/38/73/95/185387395.db2.gz ZGDHTMOSAJUSLU-OAHLLOKOSA-N 1 0 324.428 2.324 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000163697408 197645994 /nfs/dbraw/zinc/64/59/94/197645994.db2.gz DXLFVSTWFLZKDU-GWCFXTLKSA-N 1 0 305.802 2.044 10 0 DEAERO C[NH2+][C@@H]1CCC[C@@H]1S(=O)(=O)c1ccccc1Br ZINC000081931550 192340800 /nfs/dbraw/zinc/34/08/00/192340800.db2.gz FDYRBQVYDURPOR-PWSUYJOCSA-N 1 0 318.236 2.363 10 0 DEAERO [NH3+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000081934076 192342308 /nfs/dbraw/zinc/34/23/08/192342308.db2.gz PWRXIGIIWCAXFX-HUUCEWRRSA-N 1 0 309.337 2.363 10 0 DEAERO COCCc1ccc(-c2csc(N3CC[NH2+]CC3)n2)cc1 ZINC000078899743 185125354 /nfs/dbraw/zinc/12/53/54/185125354.db2.gz STNKJVGIXMFMFV-UHFFFAOYSA-N 1 0 303.431 2.409 10 0 DEAERO CCC[C@H](CS(=O)(=O)c1ccc2c(c1)OCCCO2)[NH2+]C ZINC000081936283 192343162 /nfs/dbraw/zinc/34/31/62/192343162.db2.gz LDVSYOIJHCIYBU-GFCCVEGCSA-N 1 0 313.419 2.010 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000078934562 185131319 /nfs/dbraw/zinc/13/13/19/185131319.db2.gz VEJCEBHKPRHFGN-HNNXBMFYSA-N 1 0 305.422 2.026 10 0 DEAERO CC(C)n1ncc(Br)c1C(=O)[C@H](C)C1C[NH2+]C1 ZINC000164715669 197662083 /nfs/dbraw/zinc/66/20/83/197662083.db2.gz SMUXTKLTXOWPSN-MRVPVSSYSA-N 1 0 300.200 2.265 10 0 DEAERO CNC(=O)c1cc(NC(=O)CC[C@@H](C)CC[NH3+])ccc1Cl ZINC000079118152 185159434 /nfs/dbraw/zinc/15/94/34/185159434.db2.gz BJCGKAVWDCMXMR-SNVBAGLBSA-N 1 0 311.813 2.403 10 0 DEAERO COC(=O)[C@@H](C)CN(C)C(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079291321 185163437 /nfs/dbraw/zinc/16/34/37/185163437.db2.gz JMAHWUYWKBZKRE-STQMWFEESA-N 1 0 300.443 2.045 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000079192857 185161371 /nfs/dbraw/zinc/16/13/71/185161371.db2.gz JDYJITTWPUNIRP-GJZGRUSLSA-N 1 0 324.469 2.158 10 0 DEAERO C[NH2+][C@@](CSc1ncccc1Cl)(C(N)=O)c1ccccc1 ZINC000079449120 185172286 /nfs/dbraw/zinc/17/22/86/185172286.db2.gz HCLHYLAMKGBNFI-OAHLLOKOSA-N 1 0 321.833 2.427 10 0 DEAERO COc1cc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)ccc1F ZINC000153153024 282162691 /nfs/dbraw/zinc/16/26/91/282162691.db2.gz NTFNOGGGCGRCPP-HIFRSBDPSA-N 1 0 310.413 2.332 10 0 DEAERO C[C@@H]([NH3+])C[C@@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000082798600 185204894 /nfs/dbraw/zinc/20/48/94/185204894.db2.gz QZESRPRTWYBLJR-RKDXNWHRSA-N 1 0 306.225 2.349 10 0 DEAERO C[C@@H]1CN(c2ccc(I)cc2)CCC[NH2+]1 ZINC000083092318 185213176 /nfs/dbraw/zinc/21/31/76/185213176.db2.gz RCUYPZFYYAZJMV-SNVBAGLBSA-N 1 0 316.186 2.479 10 0 DEAERO CCC[C@@H](C[NH3+])NC(=O)c1cc(F)cc(Br)c1 ZINC000087387795 185223365 /nfs/dbraw/zinc/22/33/65/185223365.db2.gz BBXZKTDJUDORRF-NSHDSACASA-N 1 0 303.175 2.445 10 0 DEAERO CCC[C@H](C[NH3+])NC(=O)c1cc(OC)ccc1Br ZINC000087387102 185223436 /nfs/dbraw/zinc/22/34/36/185223436.db2.gz XYSBFOBTCKKFDR-SECBINFHSA-N 1 0 315.211 2.315 10 0 DEAERO CC(C)[C@@H](C[NH3+])NC(=O)c1cc(Br)cn1C1CC1 ZINC000087403423 185223532 /nfs/dbraw/zinc/22/35/32/185223532.db2.gz ZXVRJKQZQHUROD-LLVKDONJSA-N 1 0 314.227 2.299 10 0 DEAERO CC(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000087404607 185223833 /nfs/dbraw/zinc/22/38/33/185223833.db2.gz ITCQFKSSQNUPND-LLVKDONJSA-N 1 0 311.234 2.255 10 0 DEAERO CC(C)[C@H](C[NH3+])NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000087404509 185223950 /nfs/dbraw/zinc/22/39/50/185223950.db2.gz FQNCPECYKHQABD-JTQLQIEISA-N 1 0 311.234 2.255 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H](C[NH3+])C(C)C)ccc1OC(C)C ZINC000087404709 185224033 /nfs/dbraw/zinc/22/40/33/185224033.db2.gz VQYGJOMEQXFVNE-CQSZACIVSA-N 1 0 314.451 2.044 10 0 DEAERO CCC[NH2+]C[C@@H](O)COc1ccc(Br)c(F)c1 ZINC000087430590 185224447 /nfs/dbraw/zinc/22/44/47/185224447.db2.gz LPDXMCZIRLCNSV-SECBINFHSA-N 1 0 306.175 2.328 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000087455548 185225649 /nfs/dbraw/zinc/22/56/49/185225649.db2.gz BCVNZGCJVQYMMU-QWRGUYRKSA-N 1 0 308.451 2.192 10 0 DEAERO CCCC1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000262007254 534928095 /nfs/dbraw/zinc/92/80/95/534928095.db2.gz VGMFFEGRPDLKON-BNICSPFPSA-N 1 0 318.465 2.198 10 0 DEAERO [NH3+]C1CN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000087589973 185229138 /nfs/dbraw/zinc/22/91/38/185229138.db2.gz AZFMECOGQCISPI-UHFFFAOYSA-N 1 0 308.596 2.228 10 0 DEAERO Cc1nc(CN(C)C(=O)[C@@H]2C[NH2+]Cc3ccccc32)cs1 ZINC000087618903 185229323 /nfs/dbraw/zinc/22/93/23/185229323.db2.gz IRSWRXKVHBTSNZ-OAHLLOKOSA-N 1 0 301.415 2.297 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(OC)c(Br)c1)c1nnc[nH]1 ZINC000087879295 185234568 /nfs/dbraw/zinc/23/45/68/185234568.db2.gz UQSNZSQJSKYRFD-JTQLQIEISA-N 1 0 311.183 2.079 10 0 DEAERO COc1ccc([C@H](C[NH3+])NCC(F)(F)F)cc1OC(F)F ZINC000087929441 185237628 /nfs/dbraw/zinc/23/76/28/185237628.db2.gz HKKQLYMOJCGUKZ-QMMMGPOBSA-N 1 0 314.254 2.448 10 0 DEAERO COc1ccc(Br)c(C[S@](=O)C[C@@H](C)[NH3+])c1 ZINC000088069755 185238726 /nfs/dbraw/zinc/23/87/26/185238726.db2.gz ZICNZYYTURKBEQ-BCTVWOGZSA-N 1 0 306.225 2.054 10 0 DEAERO CC[C@@H]([NH3+])CS(=O)(=O)Cc1sccc1Br ZINC000088075220 185238914 /nfs/dbraw/zinc/23/89/14/185238914.db2.gz SZVUSAYLNFHGGG-SSDOTTSWSA-N 1 0 312.254 2.163 10 0 DEAERO C[NH2+][C@@H]1CCCN(c2ccc(Br)c(F)c2)C1=O ZINC000088085377 185239210 /nfs/dbraw/zinc/23/92/10/185239210.db2.gz KOQXHSKXTPWCJP-LLVKDONJSA-N 1 0 301.159 2.303 10 0 DEAERO COc1ccc(CS(=O)(=O)c2ccccc2C)cc1C[NH3+] ZINC000087833059 185232849 /nfs/dbraw/zinc/23/28/49/185232849.db2.gz ORNJBAZMAMHYOA-UHFFFAOYSA-N 1 0 305.399 2.436 10 0 DEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc2nc(N)sc2c1 ZINC000087847573 185233242 /nfs/dbraw/zinc/23/32/42/185233242.db2.gz SMHDJTGHMIGUQB-SNVBAGLBSA-N 1 0 306.435 2.339 10 0 DEAERO CN(Cc1cccs1)c1nc(NN)[nH+]cc1Br ZINC000087853608 185233525 /nfs/dbraw/zinc/23/35/25/185233525.db2.gz AEJVKRLHKMYIIY-UHFFFAOYSA-N 1 0 314.212 2.223 10 0 DEAERO C[C@@H](N(C)c1nc(NN)[nH+]cc1Br)C(C)(C)C ZINC000087867044 185233918 /nfs/dbraw/zinc/23/39/18/185233918.db2.gz GSXYZYBLFGXMBT-SSDOTTSWSA-N 1 0 302.220 2.396 10 0 DEAERO CC(C)C[NH2+]Cc1c(Cl)cccc1N1CCCNC(=O)C1 ZINC000087885127 185234379 /nfs/dbraw/zinc/23/43/79/185234379.db2.gz DRNNWERMTCQJNT-UHFFFAOYSA-N 1 0 309.841 2.412 10 0 DEAERO O=C(CC1C[NH2+]C1)Nc1c(F)cc(Br)cc1F ZINC000088168544 185241026 /nfs/dbraw/zinc/24/10/26/185241026.db2.gz LKILNVVZSUJZML-UHFFFAOYSA-N 1 0 305.122 2.275 10 0 DEAERO O=[S@](Cc1ccc(F)c(Br)c1)CC1C[NH2+]C1 ZINC000088090907 185239734 /nfs/dbraw/zinc/23/97/34/185239734.db2.gz YSIHGAXXPJHFHM-INIZCTEOSA-N 1 0 306.200 2.056 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000088419177 185249362 /nfs/dbraw/zinc/24/93/62/185249362.db2.gz PXUCSVDYEMJSLF-NSHDSACASA-N 1 0 322.352 2.108 10 0 DEAERO O=C(Nc1ncccc1Br)[C@@H]1CC12CC[NH2+]CC2 ZINC000088447142 185251122 /nfs/dbraw/zinc/25/11/22/185251122.db2.gz ZAADFKUDGKFUDD-VIFPVBQESA-N 1 0 310.195 2.172 10 0 DEAERO C[C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000088516401 185254696 /nfs/dbraw/zinc/25/46/96/185254696.db2.gz LQHIZMVKICASBZ-XJKSGUPXSA-N 1 0 310.463 2.435 10 0 DEAERO CCC(CC)[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540791 185255893 /nfs/dbraw/zinc/25/58/93/185255893.db2.gz NJOYODWQBJXCMN-NSHDSACASA-N 1 0 302.440 2.444 10 0 DEAERO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(S(=O)(=O)NC)o2)C1 ZINC000088540922 185255905 /nfs/dbraw/zinc/25/59/05/185255905.db2.gz PCAUOBYMZWBHIR-RYUDHWBXSA-N 1 0 300.424 2.246 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)CC)o1 ZINC000088542910 185256440 /nfs/dbraw/zinc/25/64/40/185256440.db2.gz RBHICWPDJULRCL-NEPJUHHUSA-N 1 0 302.440 2.492 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCCCC2)o1 ZINC000088543509 185256734 /nfs/dbraw/zinc/25/67/34/185256734.db2.gz UHADBVVLFUBMPM-UHFFFAOYSA-N 1 0 300.424 2.342 10 0 DEAERO CC[NH2+][C@@H](Cc1ncnn1C)Cc1ccccc1Br ZINC000088582096 185258468 /nfs/dbraw/zinc/25/84/68/185258468.db2.gz AMWCYHIMGOLHGW-GFCCVEGCSA-N 1 0 323.238 2.341 10 0 DEAERO Nc1c2ccccc2sc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000088638473 185260522 /nfs/dbraw/zinc/26/05/22/185260522.db2.gz LKXJCWSLKGEJBS-SNVBAGLBSA-N 1 0 301.415 2.450 10 0 DEAERO Cc1ccc2c(N)c(C(=O)NC[C@@H]3CC[N@@H+](C)C3)sc2c1 ZINC000088640954 185260860 /nfs/dbraw/zinc/26/08/60/185260860.db2.gz PEDWINNVADDQMR-NSHDSACASA-N 1 0 303.431 2.473 10 0 DEAERO Cc1ccc2c(N)c(C(=O)N[C@H]3CCCC[C@H]3[NH3+])sc2n1 ZINC000088641344 185260913 /nfs/dbraw/zinc/26/09/13/185260913.db2.gz JUMJZVLBFWEQCI-MNOVXSKESA-N 1 0 304.419 2.187 10 0 DEAERO CC(C)[NH2+]CCCS(=O)(=O)Nc1c(F)cc(F)cc1F ZINC000088722875 185263361 /nfs/dbraw/zinc/26/33/61/185263361.db2.gz SLQKWTGAZOEFMX-UHFFFAOYSA-N 1 0 310.341 2.234 10 0 DEAERO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000088775850 185265349 /nfs/dbraw/zinc/26/53/49/185265349.db2.gz GCDCZHDHSLJDKW-HQJQHLMTSA-N 1 0 301.173 2.401 10 0 DEAERO CCc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cccnn2)o1 ZINC000328625864 529652718 /nfs/dbraw/zinc/65/27/18/529652718.db2.gz DOOJCFIUCRGRLN-STQMWFEESA-N 1 0 304.369 2.339 10 0 DEAERO CN1C(=O)Cc2ccc([C@@H]([NH3+])CCC(F)(F)F)cc2C1=O ZINC000088833594 185266624 /nfs/dbraw/zinc/26/66/24/185266624.db2.gz OHUBYVULFPRCTP-NSHDSACASA-N 1 0 300.280 2.184 10 0 DEAERO CC(C)(C)[C@H]1CC[C@@H]([NH3+])[C@H](S(=O)(=O)C2CCOCC2)C1 ZINC000081989755 192351064 /nfs/dbraw/zinc/35/10/64/192351064.db2.gz DVGSZUNWQQVWMD-IACUBPJLSA-N 1 0 303.468 2.122 10 0 DEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@H](O)COC1CCC(C)CC1 ZINC000090272271 185288627 /nfs/dbraw/zinc/28/86/27/185288627.db2.gz RAIPXXOXTIPZHW-ODZFXCKXSA-N 1 0 301.471 2.329 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)COc1ccc(Cl)cc1 ZINC000090331248 185291363 /nfs/dbraw/zinc/29/13/63/185291363.db2.gz QYOHYXPGCHZNEQ-BYCMXARLSA-N 1 0 308.809 2.175 10 0 DEAERO Cc1cc(Cl)ccc1NC(=O)CN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000090327483 185291392 /nfs/dbraw/zinc/29/13/92/185291392.db2.gz ZATBDDVWGPCTKK-SGMGOOAPSA-N 1 0 307.825 2.127 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)Cc1c(F)cccc1Cl ZINC000090336565 185291798 /nfs/dbraw/zinc/29/17/98/185291798.db2.gz WHDMDFIQOXHHHP-JQWIXIFHSA-N 1 0 310.800 2.478 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1Cc1cn2cc(Cl)ccc2n1 ZINC000090337652 185291858 /nfs/dbraw/zinc/29/18/58/185291858.db2.gz HVXQVGLXFQKRIY-BXUZGUMPSA-N 1 0 304.825 2.418 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000090487258 185298864 /nfs/dbraw/zinc/29/88/64/185298864.db2.gz CTJJZSAWDAWTTC-NWDGAFQWSA-N 1 0 302.296 2.268 10 0 DEAERO Cc1ccc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])cc1Br ZINC000090604360 185306200 /nfs/dbraw/zinc/30/62/00/185306200.db2.gz TZDPEWYBLHCDHA-AAEUAGOBSA-N 1 0 313.195 2.060 10 0 DEAERO CCC[C@@H](C(=O)NCCc1nnc(-c2ccccc2)o1)[NH+](C)C ZINC000179501330 282227654 /nfs/dbraw/zinc/22/76/54/282227654.db2.gz MKXHUYWKPUPPGL-AWEZNQCLSA-N 1 0 316.405 2.126 10 0 DEAERO COc1ccc(Br)c(C[S@@](=O)[C@H](C)CC[NH3+])c1 ZINC000166943287 197701718 /nfs/dbraw/zinc/70/17/18/197701718.db2.gz DDQINWIFSXTSKM-XLFHBGCDSA-N 1 0 320.252 2.444 10 0 DEAERO O=C(c1cccnc1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700835 185310695 /nfs/dbraw/zinc/31/06/95/185310695.db2.gz ZDGRWKGLHXAIRE-OAHLLOKOSA-N 1 0 305.447 2.125 10 0 DEAERO CC(C)[NH2+]CC1CCN(c2ncncc2Br)CC1 ZINC000090782565 185311931 /nfs/dbraw/zinc/31/19/31/185311931.db2.gz FFJCMJROJIHFAU-UHFFFAOYSA-N 1 0 313.243 2.454 10 0 DEAERO COC(C[C@H](C[NH3+])Nc1ccc(Br)cc1)OC ZINC000090625445 185307158 /nfs/dbraw/zinc/30/71/58/185307158.db2.gz UUXNEPWAZLSOED-LLVKDONJSA-N 1 0 303.200 2.197 10 0 DEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1Sc1nncn1C ZINC000092389750 185315494 /nfs/dbraw/zinc/31/54/94/185315494.db2.gz ODKFEHRHCSHKLK-ZIAGYGMSSA-N 1 0 304.419 2.191 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](Sc1nccc(=O)[nH]1)CC2 ZINC000092389343 185315605 /nfs/dbraw/zinc/31/56/05/185315605.db2.gz KPEFAFIPTZIVQV-OCCSQVGLSA-N 1 0 303.387 2.298 10 0 DEAERO CN(C[C@@H]1CCC[N@@H+]1C)c1cc(Br)ccc1CO ZINC000092632193 185330238 /nfs/dbraw/zinc/33/02/38/185330238.db2.gz GICJSKLZZHEIAF-ZDUSSCGKSA-N 1 0 313.239 2.472 10 0 DEAERO C[C@@H](NC(=O)CN1CCC([NH3+])CC1)c1ccc(Cl)s1 ZINC000092713844 185335855 /nfs/dbraw/zinc/33/58/55/185335855.db2.gz DTLXCZIMLXHRPF-SECBINFHSA-N 1 0 301.843 2.002 10 0 DEAERO Nc1ncccc1C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082134185 192360141 /nfs/dbraw/zinc/36/01/41/192360141.db2.gz GTZJXZLFAYVURE-UHFFFAOYSA-N 1 0 323.400 2.063 10 0 DEAERO COc1cc([C@@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)ccc1F ZINC000092825392 185344175 /nfs/dbraw/zinc/34/41/75/185344175.db2.gz WNPOSKMPVSDBJI-ZYHUDNBSSA-N 1 0 301.383 2.062 10 0 DEAERO C[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1Sc1nccc(=O)[nH]1 ZINC000092911618 185348442 /nfs/dbraw/zinc/34/84/42/185348442.db2.gz TYRFZJVETISXJW-TZMCWYRMSA-N 1 0 303.387 2.168 10 0 DEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1Sc1nncn1C ZINC000092860531 185347119 /nfs/dbraw/zinc/34/71/19/185347119.db2.gz YRZXHKKBFXQRQU-UONOGXRCSA-N 1 0 304.419 2.191 10 0 DEAERO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000181406319 199292186 /nfs/dbraw/zinc/29/21/86/199292186.db2.gz BPABCLFDQSBSEG-KBPBESRZSA-N 1 0 320.433 2.213 10 0 DEAERO Brc1cccc(-n2cncc2[C@@H]2C[NH2+]CCO2)c1 ZINC000097007296 185396627 /nfs/dbraw/zinc/39/66/27/185396627.db2.gz IONFRTKBYBAXAE-ZDUSSCGKSA-N 1 0 308.179 2.296 10 0 DEAERO C[N@@H+]1CC[C@@H](CNC(=O)c2ccncc2F)[C@@H]1c1cccnc1 ZINC000328634888 529793654 /nfs/dbraw/zinc/79/36/54/529793654.db2.gz ULAQFWLEBSCZBT-BBRMVZONSA-N 1 0 314.364 2.039 10 0 DEAERO OC[C@]1(Cc2ccc(F)cc2Br)CCC[NH2+]C1 ZINC000097153660 185416701 /nfs/dbraw/zinc/41/67/01/185416701.db2.gz XIRGERZFXAYKDD-ZDUSSCGKSA-N 1 0 302.187 2.493 10 0 DEAERO CCC(O)(CC)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179476427 282313043 /nfs/dbraw/zinc/31/30/43/282313043.db2.gz PKAUSUYETFFABR-JKSUJKDBSA-N 1 0 319.449 2.282 10 0 DEAERO CCNC(=O)CC[N@@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000083249874 192368669 /nfs/dbraw/zinc/36/86/69/192368669.db2.gz WIPQVWKQLCJKFO-CYBMUJFWSA-N 1 0 306.406 2.019 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccnc(N4CCCCC4)n3)C[C@H]21 ZINC000333580340 282963086 /nfs/dbraw/zinc/96/30/86/282963086.db2.gz UDMZKEKVZWHMBJ-RBSFLKMASA-N 1 0 301.438 2.031 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)CCC(=O)OC(C)(C)C)CC1 ZINC000192345155 282343054 /nfs/dbraw/zinc/34/30/54/282343054.db2.gz FYFRHFOTQYVDLB-UHFFFAOYSA-N 1 0 312.454 2.345 10 0 DEAERO CN1CC[NH+](CCC(C)(C)Nc2ccnc(C3CC3)n2)CC1 ZINC000302279115 530072182 /nfs/dbraw/zinc/07/21/82/530072182.db2.gz UNUBLWYRUCSFER-UHFFFAOYSA-N 1 0 303.454 2.182 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)NCc1cc(F)ccc1Br ZINC000089745735 539413059 /nfs/dbraw/zinc/41/30/59/539413059.db2.gz XQCAZGFUGFASOC-SECBINFHSA-N 1 0 315.186 2.204 10 0 DEAERO O=C(C[C@@H]1CC[NH2+]C1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000089745277 539413358 /nfs/dbraw/zinc/41/33/58/539413358.db2.gz RHUCHYKUIZOAAU-WFASDCNBSA-N 1 0 308.809 2.240 10 0 DEAERO c1csc(-c2cc(Cn3cc(C[NH2+]C4CC4)nn3)no2)c1 ZINC000090297687 539416417 /nfs/dbraw/zinc/41/64/17/539416417.db2.gz CRBBATWKXLSVPK-UHFFFAOYSA-N 1 0 301.375 2.295 10 0 DEAERO CC(C)Oc1ccc(NC(=O)COC2(C)C[NH2+]C2)cc1Cl ZINC000098060843 539436010 /nfs/dbraw/zinc/43/60/10/539436010.db2.gz RSGRWJFRNNEWTE-UHFFFAOYSA-N 1 0 312.797 2.444 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3ccoc3)no2)[C@@H](C)C1 ZINC000245432392 282387883 /nfs/dbraw/zinc/38/78/83/282387883.db2.gz OPBUAIVIWZGIRJ-JSGCOSHPSA-N 1 0 304.394 2.492 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cccc(F)c1 ZINC000245432318 282388013 /nfs/dbraw/zinc/38/80/13/282388013.db2.gz ONZCSIHTTXLEHG-HOTGVXAUSA-N 1 0 305.397 2.323 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cnc(C3CC3)nc2)[C@@H](C)C1 ZINC000122598943 539462102 /nfs/dbraw/zinc/46/21/02/539462102.db2.gz XJBXRMBMWQGPCQ-FZMZJTMJSA-N 1 0 303.410 2.204 10 0 DEAERO [NH3+]C[C@@H](Cc1csc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000111314436 185580962 /nfs/dbraw/zinc/58/09/62/185580962.db2.gz KSBBDLCKKSYQSE-NWDGAFQWSA-N 1 0 309.456 2.453 10 0 DEAERO CCCn1cc(C[NH+]2CCC3(CC2)[C@H](O)C[C@H]3OCC)cn1 ZINC000130241052 539494164 /nfs/dbraw/zinc/49/41/64/539494164.db2.gz VZIAHFAQIUGUBX-HZPDHXFCSA-N 1 0 307.438 2.045 10 0 DEAERO CCNS(=O)(=O)c1ccccc1Nc1cccc(C[NH3+])c1 ZINC000111375346 185590077 /nfs/dbraw/zinc/59/00/77/185590077.db2.gz RSVSCLDXRSCUKP-UHFFFAOYSA-N 1 0 305.403 2.187 10 0 DEAERO CS(=O)(=O)c1ccc(N[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000111376825 185590373 /nfs/dbraw/zinc/59/03/73/185590373.db2.gz MCBJFBICJFQZLB-OAHLLOKOSA-N 1 0 304.415 2.072 10 0 DEAERO CC(C)CCS(=O)(=O)N1CCC(C[NH2+]CC(C)C)CC1 ZINC000111719151 185630638 /nfs/dbraw/zinc/63/06/38/185630638.db2.gz HNGWPUTXCPOJRJ-UHFFFAOYSA-N 1 0 304.500 2.320 10 0 DEAERO Brc1cnc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000111751128 185632968 /nfs/dbraw/zinc/63/29/68/185632968.db2.gz KFVBJXNIAVQVMI-PWSUYJOCSA-N 1 0 311.227 2.208 10 0 DEAERO CC(=O)N1CCC[C@@H](c2nc(-c3ccn4c[nH+]cc4c3)no2)C1 ZINC000279608848 215001633 /nfs/dbraw/zinc/00/16/33/215001633.db2.gz RTENOZDFGMYGOZ-CYBMUJFWSA-N 1 0 311.345 2.110 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000279637279 215023644 /nfs/dbraw/zinc/02/36/44/215023644.db2.gz ZUXMCXDWECFDFX-UHFFFAOYSA-N 1 0 317.433 2.275 10 0 DEAERO CC(C)(C)[C@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)CCO1 ZINC000279680074 215057193 /nfs/dbraw/zinc/05/71/93/215057193.db2.gz FGACSDIHJIGCCN-IAGOWNOFSA-N 1 0 307.434 2.311 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000248842938 282532201 /nfs/dbraw/zinc/53/22/01/282532201.db2.gz GRMXNFIPBGWMMW-DAXOMENPSA-N 1 0 308.397 2.217 10 0 DEAERO COc1ccc(NC(=O)C[C@H]([NH3+])C2CC2)cc1OC(F)F ZINC000123737266 185838246 /nfs/dbraw/zinc/83/82/46/185838246.db2.gz UAHOHCZSXQOPED-JTQLQIEISA-N 1 0 300.305 2.363 10 0 DEAERO C[C@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc2c(s1)CCSC2 ZINC000123932575 185858371 /nfs/dbraw/zinc/85/83/71/185858371.db2.gz QZAZVOKDKSGLMH-WCQGTBRESA-N 1 0 308.472 2.217 10 0 DEAERO CCOC(=O)c1cccc([C@H]([NH3+])CNC(=O)OC(C)(C)C)c1 ZINC000083428781 192371618 /nfs/dbraw/zinc/37/16/18/192371618.db2.gz HLXXYJZQIKKWQI-CYBMUJFWSA-N 1 0 308.378 2.388 10 0 DEAERO C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279751245 215114366 /nfs/dbraw/zinc/11/43/66/215114366.db2.gz QCJNJWDBTZNRAW-QWHCGFSZSA-N 1 0 308.426 2.155 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000069968210 190844282 /nfs/dbraw/zinc/84/42/82/190844282.db2.gz LRMQUXPUMAANJT-LLVKDONJSA-N 1 0 321.450 2.004 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC(CC[NH3+])CC2)s1 ZINC000070188094 190869923 /nfs/dbraw/zinc/86/99/23/190869923.db2.gz HXVNICZOICJWTH-UHFFFAOYSA-N 1 0 302.465 2.060 10 0 DEAERO CCOC(=O)[C@@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)CC1 ZINC000616601332 362896561 /nfs/dbraw/zinc/89/65/61/362896561.db2.gz OBNUTSXMWMUCGK-CYBMUJFWSA-N 1 0 314.426 2.176 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](c2ccc(CO)cc2)C1 ZINC000616612056 362897508 /nfs/dbraw/zinc/89/75/08/362897508.db2.gz LJNGSARUNODOIH-INIZCTEOSA-N 1 0 320.433 2.493 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2cccc(N)n2)C1 ZINC000616620443 362899283 /nfs/dbraw/zinc/89/92/83/362899283.db2.gz PBGCCLRZBCYVCN-CYBMUJFWSA-N 1 0 320.437 2.368 10 0 DEAERO CC(C)(C)OC(=O)NCC[NH+]1CCC(c2ncccn2)CC1 ZINC000616619578 362899339 /nfs/dbraw/zinc/89/93/39/362899339.db2.gz ODIOEDQBHNTINQ-UHFFFAOYSA-N 1 0 306.410 2.181 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cnn(CC3CC3)c2)C1 ZINC000176487648 539627411 /nfs/dbraw/zinc/62/74/11/539627411.db2.gz ZNCXPJNEUHEROA-DOMZBBRYSA-N 1 0 305.426 2.143 10 0 DEAERO C[C@H]([NH2+]Cc1cn2cccnc2n1)c1ccc(-n2cncn2)cc1 ZINC000176855420 539628570 /nfs/dbraw/zinc/62/85/70/539628570.db2.gz PMQODRTYQTVTSR-ZDUSSCGKSA-N 1 0 319.372 2.161 10 0 DEAERO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)c1 ZINC000176954676 539628816 /nfs/dbraw/zinc/62/88/16/539628816.db2.gz JOXUSZXQEKICCJ-VXGBXAGGSA-N 1 0 315.435 2.035 10 0 DEAERO [NH3+][C@@H]1CCN(c2cc(-c3ccccn3)nc(-c3cccnc3)n2)C1 ZINC000070455888 190895403 /nfs/dbraw/zinc/89/54/03/190895403.db2.gz LXZQYQFTUQTWPK-CQSZACIVSA-N 1 0 318.384 2.138 10 0 DEAERO C[C@@H]1CN(C(=O)c2c(F)cccc2Br)[C@H](C)C[NH2+]1 ZINC000129902642 185920825 /nfs/dbraw/zinc/92/08/25/185920825.db2.gz ZBZSNCMENBDMML-RKDXNWHRSA-N 1 0 315.186 2.411 10 0 DEAERO CN(C(=O)c1c[nH]nc1-c1ccc(F)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000080482585 192160645 /nfs/dbraw/zinc/16/06/45/192160645.db2.gz QADWTPBYIIKBDK-AWEZNQCLSA-N 1 0 316.380 2.382 10 0 DEAERO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)C2CC2)o1 ZINC000183124839 539659357 /nfs/dbraw/zinc/65/93/57/539659357.db2.gz QTIRVYKXURMFFM-XJKSGUPXSA-N 1 0 306.406 2.236 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(C)cc3)C2=O)n(C)n1 ZINC000080526302 192165160 /nfs/dbraw/zinc/16/51/60/192165160.db2.gz RNTUXNVNZKQUKN-MRXNPFEDSA-N 1 0 312.417 2.322 10 0 DEAERO Cn1ccnc1[C@H]([NH2+]CCOc1ccc2c(c1)OCO2)C1CC1 ZINC000183254500 539661115 /nfs/dbraw/zinc/66/11/15/539661115.db2.gz MZNYLBVBZKYIIO-MRXNPFEDSA-N 1 0 315.373 2.269 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccco1)n1cc(I)cn1 ZINC000070677350 190910081 /nfs/dbraw/zinc/91/00/81/190910081.db2.gz IELIQOKHGYVQJW-XCBNKYQSSA-N 1 0 317.130 2.017 10 0 DEAERO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183640270 539663751 /nfs/dbraw/zinc/66/37/51/539663751.db2.gz LLQXVXDTMDZJFE-MRXNPFEDSA-N 1 0 319.449 2.110 10 0 DEAERO [NH3+]Cc1coc(-c2ccccc2I)n1 ZINC000083682491 192378627 /nfs/dbraw/zinc/37/86/27/192378627.db2.gz RUMFEILEVWDKGF-UHFFFAOYSA-N 1 0 300.099 2.405 10 0 DEAERO Brc1ccc2c(c1)CC[C@H]2[NH2+]CCc1nnc[nH]1 ZINC000080576248 192168111 /nfs/dbraw/zinc/16/81/11/192168111.db2.gz PAJKJUGWYMJHSP-GFCCVEGCSA-N 1 0 307.195 2.387 10 0 DEAERO O=C1[C@H]([NH2+][C@H]2CCCOC2)CCCN1Cc1ccc(F)cc1F ZINC000191647652 539703085 /nfs/dbraw/zinc/70/30/85/539703085.db2.gz OXQFOWKLQRIYQN-GOEBONIOSA-N 1 0 324.371 2.224 10 0 DEAERO CSCC[C@H]([NH3+])c1nnc2ccc(Br)cn21 ZINC000083739812 192380191 /nfs/dbraw/zinc/38/01/91/192380191.db2.gz IRXLURJCLIOZLH-QMMMGPOBSA-N 1 0 301.213 2.245 10 0 DEAERO C[NH2+][C@H](Cc1sccc1Br)[C@@H]1COCCO1 ZINC000083743261 192380270 /nfs/dbraw/zinc/38/02/70/192380270.db2.gz HRANBUSOZMZGJA-ZJUUUORDSA-N 1 0 306.225 2.057 10 0 DEAERO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000193819474 539715528 /nfs/dbraw/zinc/71/55/28/539715528.db2.gz PCVVCBPMXNHAAP-INIZCTEOSA-N 1 0 317.477 2.068 10 0 DEAERO CC(C)C[C@@H]1CN(CCS(C)(=O)=O)C2(CCCCC2)C[NH2+]1 ZINC000071352249 190962120 /nfs/dbraw/zinc/96/21/20/190962120.db2.gz GGTCQIULYJPIKX-OAHLLOKOSA-N 1 0 316.511 2.054 10 0 DEAERO C[NH2+][C@@H](c1cc(Br)sc1C)[C@@H]1COCCO1 ZINC000084006519 192395042 /nfs/dbraw/zinc/39/50/42/192395042.db2.gz MGYPHJPEAQOCON-ONGXEEELSA-N 1 0 306.225 2.495 10 0 DEAERO C[NH2+][C@@H](C)c1cccc(S[C@@H](C)C(=O)N2CCOCC2)c1 ZINC000084124232 192403729 /nfs/dbraw/zinc/40/37/29/192403729.db2.gz MOQURXASRYRBBJ-STQMWFEESA-N 1 0 308.447 2.306 10 0 DEAERO O=C1CC[C@H](C[NH2+]Cc2cc(Br)ccc2Cl)N1 ZINC000225283413 539729720 /nfs/dbraw/zinc/72/97/20/539729720.db2.gz IOLCTACYDZCCHZ-SNVBAGLBSA-N 1 0 317.614 2.471 10 0 DEAERO CCC[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000133309635 185973108 /nfs/dbraw/zinc/97/31/08/185973108.db2.gz MOZSVONGXXKYKI-LBPRGKRZSA-N 1 0 318.389 2.118 10 0 DEAERO C[NH+](C)CCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000071482545 190984691 /nfs/dbraw/zinc/98/46/91/190984691.db2.gz QOLOCQXHSIMCIM-UHFFFAOYSA-N 1 0 316.449 2.303 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)c(O)c1 ZINC000236246887 539738089 /nfs/dbraw/zinc/73/80/89/539738089.db2.gz JALAFDKSDYXMEP-MWLCHTKSSA-N 1 0 313.195 2.012 10 0 DEAERO CC[C@@H]([NH3+])c1nc2cc(F)ccc2n1CC(=O)N[C@@H](C)CC ZINC000071664536 191000253 /nfs/dbraw/zinc/00/02/53/191000253.db2.gz MQHOQMSICLOLSB-CMPLNLGQSA-N 1 0 306.385 2.500 10 0 DEAERO COc1ccc(Br)cc1C[C@@]1(O)CC[C@@H]([NH3+])C1 ZINC000133448011 185985487 /nfs/dbraw/zinc/98/54/87/185985487.db2.gz DVNGXOPLNNWNLX-YPMHNXCESA-N 1 0 300.196 2.243 10 0 DEAERO Cc1nccn1CC(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071736494 191019405 /nfs/dbraw/zinc/01/94/05/191019405.db2.gz PCTJUKWCACDUEM-KRWDZBQOSA-N 1 0 318.465 2.160 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000245994639 539759936 /nfs/dbraw/zinc/75/99/36/539759936.db2.gz BGCLSFRVMVZIDJ-ZACQAIPSSA-N 1 0 302.418 2.317 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](C)C(=O)N2CC(C)(C)C[NH+](C)C)s1 ZINC000138201759 186014725 /nfs/dbraw/zinc/01/47/25/186014725.db2.gz FHFVTGZSGKFUIG-TZMCWYRMSA-N 1 0 309.479 2.463 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC000138243824 186014774 /nfs/dbraw/zinc/01/47/74/186014774.db2.gz KKQOEXBSDWCIRF-UHFFFAOYSA-N 1 0 318.389 2.105 10 0 DEAERO CC(C)C[C@@H](C[NH3+])c1nc2c(cccc2S(C)(=O)=O)n1C ZINC000138236874 186014913 /nfs/dbraw/zinc/01/49/13/186014913.db2.gz JRBABMHWTADTRQ-NSHDSACASA-N 1 0 309.435 2.065 10 0 DEAERO Cn1c2cccc(S(C)(=O)=O)c2nc1[C@H]1CCCCC[NH2+]1 ZINC000138232689 186014992 /nfs/dbraw/zinc/01/49/92/186014992.db2.gz CEEBXFASGUHWQU-LLVKDONJSA-N 1 0 307.419 2.182 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(CC)CC)c1 ZINC000138254253 186015905 /nfs/dbraw/zinc/01/59/05/186015905.db2.gz RUJLASDCEAXYMO-UHFFFAOYSA-N 1 0 320.405 2.495 10 0 DEAERO CCS(=O)(=O)CCCOc1cc(OC)ccc1[C@H](C)[NH2+]C ZINC000138494386 186017005 /nfs/dbraw/zinc/01/70/05/186017005.db2.gz HXYMNJRTNDGPSW-LBPRGKRZSA-N 1 0 315.435 2.179 10 0 DEAERO CCCCCN(C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138465300 186017054 /nfs/dbraw/zinc/01/70/54/186017054.db2.gz JTOGAGZDFMNFJE-UHFFFAOYSA-N 1 0 320.405 2.495 10 0 DEAERO CC[C@H](C)N(CC)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138462835 186017135 /nfs/dbraw/zinc/01/71/35/186017135.db2.gz LRYMNUMOQSTGID-JTQLQIEISA-N 1 0 320.405 2.493 10 0 DEAERO [NH3+]CC1(C(=O)NCc2cc(F)ccc2Br)CCC1 ZINC000138783638 186018801 /nfs/dbraw/zinc/01/88/01/186018801.db2.gz SJTWUSHVWVBHBK-UHFFFAOYSA-N 1 0 315.186 2.333 10 0 DEAERO Cn1ncc(Br)c1[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000133785040 186011863 /nfs/dbraw/zinc/01/18/63/186011863.db2.gz BCBFZMJZPOKDIR-GFCCVEGCSA-N 1 0 308.179 2.166 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000246510325 539764682 /nfs/dbraw/zinc/76/46/82/539764682.db2.gz QLEKGZYJACWPBA-SOUVJXGZSA-N 1 0 304.438 2.413 10 0 DEAERO Cn1ncc(Br)c1[C@H]([NH3+])c1ccc2c(c1)COC2 ZINC000133832008 186012946 /nfs/dbraw/zinc/01/29/46/186012946.db2.gz ALVAZJLZJXNBOG-GFCCVEGCSA-N 1 0 308.179 2.261 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cccc(Br)c1O ZINC000133838627 186013861 /nfs/dbraw/zinc/01/38/61/186013861.db2.gz MXLCLXKWPCAUIC-QMMMGPOBSA-N 1 0 301.184 2.468 10 0 DEAERO [NH3+]CC1(C(=O)Nc2ccccc2Br)CCOCC1 ZINC000138156538 186014403 /nfs/dbraw/zinc/01/44/03/186014403.db2.gz XKDBNRWYMBZTFX-UHFFFAOYSA-N 1 0 313.195 2.143 10 0 DEAERO CC1(NS(=O)(=O)c2cc(C[NH3+])cc(F)c2F)CCCC1 ZINC000139140299 186020262 /nfs/dbraw/zinc/02/02/62/186020262.db2.gz FDGOSQCXUBVGIV-UHFFFAOYSA-N 1 0 304.362 2.035 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN1C(=O)C2(CC2)N[C@H]1c1ccsc1 ZINC000140284734 186026358 /nfs/dbraw/zinc/02/63/58/186026358.db2.gz QZFYXDDRBLXALQ-ZIAGYGMSSA-N 1 0 305.447 2.195 10 0 DEAERO C[NH2+][C@H](Cc1cc(C)nn1C)c1ncccc1Br ZINC000140376841 186026498 /nfs/dbraw/zinc/02/64/98/186026498.db2.gz MGPFCEKRKMXEDK-GFCCVEGCSA-N 1 0 309.211 2.389 10 0 DEAERO COCC[N@@H+]1CC[C@@H](CNc2cc(C(C)C)nc3ccnn32)C1 ZINC000072166878 191066997 /nfs/dbraw/zinc/06/69/97/191066997.db2.gz ZVIOWMSPPAGPNQ-AWEZNQCLSA-N 1 0 317.437 2.233 10 0 DEAERO CC[C@]1(C)N[C@H](c2ccsc2)N(C2CC[NH+](C)CC2)C1=O ZINC000141183851 186029004 /nfs/dbraw/zinc/02/90/04/186029004.db2.gz LOMNBZVVILAQPF-HOCLYGCPSA-N 1 0 307.463 2.441 10 0 DEAERO CSCCC(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000141130318 186029207 /nfs/dbraw/zinc/02/92/07/186029207.db2.gz GCTDBCMIENDWHS-UHFFFAOYSA-N 1 0 320.256 2.143 10 0 DEAERO CC(C)[C@H]1N[C@@H](c2cccs2)N(C2CC[NH+](C)CC2)C1=O ZINC000141216044 186029469 /nfs/dbraw/zinc/02/94/69/186029469.db2.gz MVJSHPJQUVDKGF-HUUCEWRRSA-N 1 0 307.463 2.297 10 0 DEAERO O=C(Nc1ccncc1Br)[C@H]1CC12CC[NH2+]CC2 ZINC000147548354 186040781 /nfs/dbraw/zinc/04/07/81/186040781.db2.gz KXUOTIDGUOUHRV-SECBINFHSA-N 1 0 310.195 2.172 10 0 DEAERO Cn1cc(C[N@H+](C)Cc2cc(N)cc(Br)c2)cn1 ZINC000147970052 186042604 /nfs/dbraw/zinc/04/26/04/186042604.db2.gz OGSDATKCVSXGOW-UHFFFAOYSA-N 1 0 309.211 2.397 10 0 DEAERO C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@H]1C)c1cccc(Br)c1 ZINC000148105559 186043005 /nfs/dbraw/zinc/04/30/05/186043005.db2.gz VVXADSAJANAAQF-BREBYQMCSA-N 1 0 311.223 2.482 10 0 DEAERO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(Oc3ccccc3)CC2)C1 ZINC000262581414 282674803 /nfs/dbraw/zinc/67/48/03/282674803.db2.gz ZAPMDDUYNLREHT-PBHICJAKSA-N 1 0 302.418 2.445 10 0 DEAERO CC[NH+]1CCC(CN2C(=O)[C@H](C)N[C@@H]2c2ccsc2)CC1 ZINC000145496898 186037121 /nfs/dbraw/zinc/03/71/21/186037121.db2.gz FIONYGWPORYUHN-WFASDCNBSA-N 1 0 307.463 2.299 10 0 DEAERO CC[C@]1(C)N[C@H](c2ccc(C)s2)N([C@@H]2CC[N@H+](C)C2)C1=O ZINC000145296567 186037270 /nfs/dbraw/zinc/03/72/70/186037270.db2.gz STEVYUXSSFJRNC-INWMFGNUSA-N 1 0 307.463 2.360 10 0 DEAERO C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1ccccc1Br ZINC000149070951 186047357 /nfs/dbraw/zinc/04/73/57/186047357.db2.gz KENBYIWHCJOKRB-UMNHJUIQSA-N 1 0 311.223 2.482 10 0 DEAERO CCN(C(CC)(CC)C[NH3+])S(=O)(=O)CCc1ccccc1 ZINC000149277800 186048909 /nfs/dbraw/zinc/04/89/09/186048909.db2.gz PCQLPATZPZGAMN-UHFFFAOYSA-N 1 0 312.479 2.398 10 0 DEAERO CCC[NH2+][C@@H](C)c1ccc(SCCS(C)(=O)=O)cn1 ZINC000149447712 186050086 /nfs/dbraw/zinc/05/00/86/186050086.db2.gz GEDVQZYGWKUVCD-NSHDSACASA-N 1 0 302.465 2.279 10 0 DEAERO CCNc1nc(Cl)nc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000149956636 186053518 /nfs/dbraw/zinc/05/35/18/186053518.db2.gz NXGRRTLICGCQFM-LLVKDONJSA-N 1 0 310.833 2.021 10 0 DEAERO CNc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc(SC)n1 ZINC000149963557 186053572 /nfs/dbraw/zinc/05/35/72/186053572.db2.gz IXJPWNPXQDFTFH-GFCCVEGCSA-N 1 0 307.467 2.305 10 0 DEAERO CCC[C@@](O)(C[NH3+])Cc1cc(OC)ccc1Br ZINC000150003313 186053897 /nfs/dbraw/zinc/05/38/97/186053897.db2.gz GRZKGVFUUKNIHD-ZDUSSCGKSA-N 1 0 302.212 2.490 10 0 DEAERO [NH3+][C@@H](c1cccc(OC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000150018808 186054009 /nfs/dbraw/zinc/05/40/09/186054009.db2.gz KMGXRNVLMFTQNZ-ONGXEEELSA-N 1 0 309.309 2.020 10 0 DEAERO COc1ccc(Br)cc1C[C@](O)(C[NH3+])C1CC1 ZINC000150104183 186054988 /nfs/dbraw/zinc/05/49/88/186054988.db2.gz BIBBJIAIRGFYAK-ZDUSSCGKSA-N 1 0 300.196 2.100 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1coc(Br)c1 ZINC000268103101 539794194 /nfs/dbraw/zinc/79/41/94/539794194.db2.gz IDWZGSKKHZCJAQ-SNVBAGLBSA-N 1 0 301.184 2.208 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000155744027 186109049 /nfs/dbraw/zinc/10/90/49/186109049.db2.gz IRSNKCGLAFMIAC-DYVFJYSZSA-N 1 0 320.433 2.486 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1OCC(F)(F)F)C1C[NH2+]C1 ZINC000163983037 186144866 /nfs/dbraw/zinc/14/48/66/186144866.db2.gz XROYAZVWGNUTCM-SECBINFHSA-N 1 0 302.296 2.422 10 0 DEAERO Cc1ccc(Br)c(NC(=O)C[C@@H]2COCC[NH2+]2)c1 ZINC000163978945 186144928 /nfs/dbraw/zinc/14/49/28/186144928.db2.gz GPBRGHMWCLXIBZ-SNVBAGLBSA-N 1 0 313.195 2.075 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1OCC(F)(F)F)C1C[NH2+]C1 ZINC000163982931 186144982 /nfs/dbraw/zinc/14/49/82/186144982.db2.gz XROYAZVWGNUTCM-VIFPVBQESA-N 1 0 302.296 2.422 10 0 DEAERO CCC[NH2+]CCc1ccc(S(=O)(=O)NC2CC(C)C2)cc1 ZINC000164008799 186146095 /nfs/dbraw/zinc/14/60/95/186146095.db2.gz CFFZEWOXVZIXMN-UHFFFAOYSA-N 1 0 310.463 2.306 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000164062537 186147699 /nfs/dbraw/zinc/14/76/99/186147699.db2.gz DJRGFXDROFHQRU-JTQLQIEISA-N 1 0 300.200 2.380 10 0 DEAERO [NH3+]CCN1C(=O)S/C(=C/c2ccc(Cl)cc2F)C1=O ZINC000164150018 186150378 /nfs/dbraw/zinc/15/03/78/186150378.db2.gz AAEUJQUFCJWXJP-BJMVGYQFSA-N 1 0 300.742 2.474 10 0 DEAERO COC(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000171235787 197902698 /nfs/dbraw/zinc/90/26/98/197902698.db2.gz WKFIOSVJKAYODN-MCIONIFRSA-N 1 0 318.417 2.351 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[S@@](=O)c1ccccc1 ZINC000155903884 186121848 /nfs/dbraw/zinc/12/18/48/186121848.db2.gz KNKMKPUOZSJDQE-QKVFXAPYSA-N 1 0 302.399 2.280 10 0 DEAERO C[C@@H]1C[C@H](Nc2cc(-n3cnnn3)ccc2Cl)CC[N@@H+]1C ZINC000155911579 186122363 /nfs/dbraw/zinc/12/23/63/186122363.db2.gz GZRJLLKQOFUPRL-GHMZBOCLSA-N 1 0 306.801 2.210 10 0 DEAERO CCCNS(=O)(=O)c1ccccc1N[C@@](C)(C[NH3+])C(C)C ZINC000155978218 186124644 /nfs/dbraw/zinc/12/46/44/186124644.db2.gz GPJKYHHPMPSARY-HNNXBMFYSA-N 1 0 313.467 2.160 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1ccc(C)cc1Br ZINC000159546588 186126165 /nfs/dbraw/zinc/12/61/65/186126165.db2.gz UREQXALMIIEENV-LLVKDONJSA-N 1 0 315.211 2.450 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CN(c2ncc(Cl)cc2Br)CCO1 ZINC000159683485 186135073 /nfs/dbraw/zinc/13/50/73/186135073.db2.gz VYYUTSIBEWNOSF-XCBNKYQSSA-N 1 0 320.618 2.050 10 0 DEAERO Cc1ccc([C@H](O)[C@]2(C[NH3+])CCOC2)c(Br)c1 ZINC000164348979 186156646 /nfs/dbraw/zinc/15/66/46/186156646.db2.gz WXMDFDDFQRAOOB-STQMWFEESA-N 1 0 300.196 2.156 10 0 DEAERO CC(C)C[C@H](C[NH3+])c1nc2cc(S(C)(=O)=O)ccc2n1C ZINC000164376058 186157963 /nfs/dbraw/zinc/15/79/63/186157963.db2.gz GVVZBNRKBSPCRX-LLVKDONJSA-N 1 0 309.435 2.065 10 0 DEAERO CC[C@H](C)C[N@H+](CC)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000177848775 186192799 /nfs/dbraw/zinc/19/27/99/186192799.db2.gz QSBFUQQTCLPDDI-KBPBESRZSA-N 1 0 318.417 2.012 10 0 DEAERO C[C@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000175632631 186183286 /nfs/dbraw/zinc/18/32/86/186183286.db2.gz JDLITHSMSHBTJE-BBRMVZONSA-N 1 0 323.412 2.124 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000187992524 186240377 /nfs/dbraw/zinc/24/03/77/186240377.db2.gz NUQJRBKEVQHXIF-MLGOLLRUSA-N 1 0 304.394 2.058 10 0 DEAERO OC[C@H]([NH2+]CCCn1ccnc1)c1cccc(Br)c1 ZINC000183898388 186228727 /nfs/dbraw/zinc/22/87/27/186228727.db2.gz LNETXNBNMULSFY-AWEZNQCLSA-N 1 0 324.222 2.359 10 0 DEAERO C[N@H+](Cc1ccc(Br)c(F)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038035 366017626 /nfs/dbraw/zinc/01/76/26/366017626.db2.gz PDVCSNWEKLBCPX-AOOOYVTPSA-N 1 0 315.186 2.284 10 0 DEAERO CC(=O)c1cccc(OCC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000617021381 363002032 /nfs/dbraw/zinc/00/20/32/363002032.db2.gz WRJHRCLIZBLKCE-HNNXBMFYSA-N 1 0 318.417 2.257 10 0 DEAERO CCn1ncc2ccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc21 ZINC000171892141 198002854 /nfs/dbraw/zinc/00/28/54/198002854.db2.gz XMLJIDSHCXGSBY-OAHLLOKOSA-N 1 0 313.405 2.368 10 0 DEAERO COc1ccc(CCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171903737 198005121 /nfs/dbraw/zinc/00/51/21/198005121.db2.gz ZHPPLVUDNDPVOZ-INIZCTEOSA-N 1 0 317.433 2.117 10 0 DEAERO CN(C)c1cncc(C2CC[NH+](CC3(O)CCCCC3)CC2)n1 ZINC000072367478 191137264 /nfs/dbraw/zinc/13/72/64/191137264.db2.gz HHZQBQUQSPMVLQ-UHFFFAOYSA-N 1 0 318.465 2.417 10 0 DEAERO Cc1cccc(NC(=O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1C ZINC000172038457 198029773 /nfs/dbraw/zinc/02/97/73/198029773.db2.gz JMTOVFWTTWFATD-MVVMVCHASA-N 1 0 302.418 2.335 10 0 DEAERO CC1CCC([NH+]2CCN(C(=O)Nc3nncs3)CC2)CC1 ZINC000172053261 198031648 /nfs/dbraw/zinc/03/16/48/198031648.db2.gz OICBDLISLBKCFC-UHFFFAOYSA-N 1 0 309.439 2.266 10 0 DEAERO CCC[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000172116223 198041857 /nfs/dbraw/zinc/04/18/57/198041857.db2.gz HGKYBWDBUOKYQE-IAGOWNOFSA-N 1 0 319.449 2.500 10 0 DEAERO CCn1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c2ccccc21 ZINC000172308285 198077266 /nfs/dbraw/zinc/07/72/66/198077266.db2.gz LEHILEGIANPRCN-CQSZACIVSA-N 1 0 315.417 2.064 10 0 DEAERO COc1cccc(CCC[NH+]2CCC(C(=O)N(C)C)CC2)c1 ZINC000172734712 198142672 /nfs/dbraw/zinc/14/26/72/198142672.db2.gz DYQHNDIROMIVSU-UHFFFAOYSA-N 1 0 304.434 2.428 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1cc(F)ccc1F ZINC000172802469 198150932 /nfs/dbraw/zinc/15/09/32/198150932.db2.gz BYGDGZPSZLZPQV-CYBMUJFWSA-N 1 0 309.360 2.073 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCO1 ZINC000332896683 539943082 /nfs/dbraw/zinc/94/30/82/539943082.db2.gz KZYPUVDDJSVGGQ-LIFKJRKOSA-N 1 0 306.450 2.229 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000173455398 198217070 /nfs/dbraw/zinc/21/70/70/198217070.db2.gz ZERSACXEARNLBE-ZDUSSCGKSA-N 1 0 314.832 2.410 10 0 DEAERO O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333447567 539959694 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ZINC000536036059 540241292 /nfs/dbraw/zinc/24/12/92/540241292.db2.gz PZANPNWSEXRRQF-IAGOWNOFSA-N 1 0 301.434 2.164 10 0 DEAERO NC(=S)c1cccc(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000081617069 192304390 /nfs/dbraw/zinc/30/43/90/192304390.db2.gz DEACRSNJHLWQHJ-UHFFFAOYSA-N 1 0 304.463 2.028 10 0 DEAERO c1[nH+]cn2ccc(-c3noc(COC[C@H]4CCCO4)n3)cc12 ZINC000351085253 356609776 /nfs/dbraw/zinc/60/97/76/356609776.db2.gz KFDPUIUDPKEVCI-CYBMUJFWSA-N 1 0 300.318 2.080 10 0 DEAERO c1[nH+]cn2ccc(-c3noc(-c4cnc5nccnc5c4)n3)cc12 ZINC000351108167 356615819 /nfs/dbraw/zinc/61/58/19/356615819.db2.gz ULOBCBATFPANIB-UHFFFAOYSA-N 1 0 315.296 2.390 10 0 DEAERO CCOc1ccccc1OCCCC(=O)N1CCC([NH2+]C)CC1 ZINC000236966998 202098599 /nfs/dbraw/zinc/09/85/99/202098599.db2.gz MJULZQKQUYFSFO-UHFFFAOYSA-N 1 0 320.433 2.455 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCCc1cc(OC)ccc1OC ZINC000236969529 202101478 /nfs/dbraw/zinc/10/14/78/202101478.db2.gz QQPDBVQJBZEMCF-MLGOLLRUSA-N 1 0 308.422 2.126 10 0 DEAERO 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CC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2OC)CC1 ZINC000181136482 199255625 /nfs/dbraw/zinc/25/56/25/199255625.db2.gz AWRYZJDUFDYTTD-AWEZNQCLSA-N 1 0 305.422 2.050 10 0 DEAERO CCn1nc(C)c(Br)c1CN1CC[NH2+]CC[C@@H]1C ZINC000089305481 192763592 /nfs/dbraw/zinc/76/35/92/192763592.db2.gz AQORRAOUHRRKIY-JTQLQIEISA-N 1 0 315.259 2.158 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000186827716 200017868 /nfs/dbraw/zinc/01/78/68/200017868.db2.gz ZIWFEPGFWINTNE-RNCFNFMXSA-N 1 0 317.216 2.486 10 0 DEAERO COC(=O)c1ccccc1CC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000187120090 200065194 /nfs/dbraw/zinc/06/51/94/200065194.db2.gz UUGZYJVSDCNLDA-GDBMZVCRSA-N 1 0 304.434 2.430 10 0 DEAERO CN1C(=O)CCc2cc(C[NH2+]C[C@H]3CCCC[C@H]3O)ccc21 ZINC000187261101 200084760 /nfs/dbraw/zinc/08/47/60/200084760.db2.gz BNUGPUZMLLZGRT-NVXWUHKLSA-N 1 0 302.418 2.236 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000187809665 200159674 /nfs/dbraw/zinc/15/96/74/200159674.db2.gz 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Cc1cccnc1C(F)(F)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000194607169 201262114 /nfs/dbraw/zinc/26/21/14/201262114.db2.gz PIXJLJGPJXVFCF-QWHCGFSZSA-N 1 0 309.360 2.177 10 0 DEAERO CCC1(NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CCC1 ZINC000194658181 201270415 /nfs/dbraw/zinc/27/04/15/201270415.db2.gz RZKRNEQIDBPYFQ-UHFFFAOYSA-N 1 0 303.406 2.136 10 0 DEAERO Cn1c(Cl)ncc1C1=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675077532 541286325 /nfs/dbraw/zinc/28/63/25/541286325.db2.gz GABHKQSIJUBDGL-JTQLQIEISA-N 1 0 312.801 2.035 10 0 DEAERO COCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620190612 363987001 /nfs/dbraw/zinc/98/70/01/363987001.db2.gz OMTJXMDLTQNJDM-INIZCTEOSA-N 1 0 302.418 2.051 10 0 DEAERO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cn[nH]c1 ZINC000620192544 363987784 /nfs/dbraw/zinc/98/77/84/363987784.db2.gz OKCGHUMWLNBFOK-KRWDZBQOSA-N 1 0 324.428 2.442 10 0 DEAERO [NH3+]CCc1nc(-c2nnc3ccc(C(F)(F)F)cn32)cs1 ZINC000090936139 192956162 /nfs/dbraw/zinc/95/61/62/192956162.db2.gz MYVDXOMBPPLUNN-UHFFFAOYSA-N 1 0 313.308 2.373 10 0 DEAERO C[C@H](NC(=O)c1csc(CC[NH3+])n1)c1cc(F)ccc1F ZINC000090947879 192960719 /nfs/dbraw/zinc/96/07/19/192960719.db2.gz BUYPIEVIVUEJPC-QMMMGPOBSA-N 1 0 311.357 2.414 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CCc2nc(C)no2)c2ccccc21 ZINC000621754381 364536819 /nfs/dbraw/zinc/53/68/19/364536819.db2.gz DFQWFVYITYFQHM-AWEZNQCLSA-N 1 0 300.362 2.008 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)c2ccccc21 ZINC000621761837 364538310 /nfs/dbraw/zinc/53/83/10/364538310.db2.gz OGKQVVYIYMXDEE-ZFWWWQNUSA-N 1 0 310.401 2.355 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H](O)C23CCC3)c2ccccc21 ZINC000621764258 364539373 /nfs/dbraw/zinc/53/93/73/364539373.db2.gz BWYZLMOSMUGUPW-XIRDDKMYSA-N 1 0 300.402 2.377 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)CC12COC2 ZINC000449358447 240395887 /nfs/dbraw/zinc/39/58/87/240395887.db2.gz FTCVXCOKBZLXFI-HNNXBMFYSA-N 1 0 314.385 2.179 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](C[C@@H](C)c2ccccc2)CC12COC2 ZINC000449358034 240397459 /nfs/dbraw/zinc/39/74/59/240397459.db2.gz FHSGIFNOXZJRLH-GDBMZVCRSA-N 1 0 303.402 2.302 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC12COC2 ZINC000449361705 240397567 /nfs/dbraw/zinc/39/75/67/240397567.db2.gz JQFZUDFTOFPPNN-CFVMTHIKSA-N 1 0 319.401 2.415 10 0 DEAERO c1cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)n(-c2ccccn2)n1 ZINC000623603144 365097243 /nfs/dbraw/zinc/09/72/43/365097243.db2.gz OERBIZKTONTIEB-SFHVURJKSA-N 1 0 320.396 2.498 10 0 DEAERO Cc1ccc(C[NH2+]C[C@H]2COCCN2C)c(Br)c1 ZINC000623711321 365140272 /nfs/dbraw/zinc/14/02/72/365140272.db2.gz APKXOBGVXPZIJQ-ZDUSSCGKSA-N 1 0 313.239 2.178 10 0 DEAERO CN1CCOC[C@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000623713197 365141530 /nfs/dbraw/zinc/14/15/30/365141530.db2.gz VJMLCIFHWFNLAE-SNVBAGLBSA-N 1 0 317.202 2.008 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCCCO1 ZINC000623853180 365200883 /nfs/dbraw/zinc/20/08/83/365200883.db2.gz PDJXBLUODNPRMP-WDSOQIARSA-N 1 0 318.461 2.435 10 0 DEAERO CCCNC(=O)C[C@H](C[NH3+])Nc1ccccc1Br ZINC000091317792 193038881 /nfs/dbraw/zinc/03/88/81/193038881.db2.gz XEKYWWUPVIPYNU-SNVBAGLBSA-N 1 0 314.227 2.105 10 0 DEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])N(C)Cc1ccccc1Cl ZINC000091322726 193040234 /nfs/dbraw/zinc/04/02/34/193040234.db2.gz KXDCKFAOPWYYHX-AWEZNQCLSA-N 1 0 311.857 2.358 10 0 DEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])N(Cc1cccs1)C1CC1 ZINC000091322792 193040283 /nfs/dbraw/zinc/04/02/83/193040283.db2.gz RMQMAHYUHHWKLC-AWEZNQCLSA-N 1 0 309.479 2.298 10 0 DEAERO CCC[NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1C(C)C ZINC000091337288 193043353 /nfs/dbraw/zinc/04/33/53/193043353.db2.gz ZPXAGJKAGFQESD-HNNXBMFYSA-N 1 0 313.467 2.040 10 0 DEAERO CO[C@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)(C)C ZINC000091350124 193044293 /nfs/dbraw/zinc/04/42/93/193044293.db2.gz OGBJXBGYILJCKG-SMDDNHRTSA-N 1 0 314.451 2.046 10 0 DEAERO Cc1ccccc1[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000091404430 193052024 /nfs/dbraw/zinc/05/20/24/193052024.db2.gz BMAKCHCNSNRVES-YOEHRIQHSA-N 1 0 322.474 2.317 10 0 DEAERO OC1CC(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000091424276 193054267 /nfs/dbraw/zinc/05/42/67/193054267.db2.gz CKNMTJWGOHBFKO-UHFFFAOYSA-N 1 0 314.179 2.038 10 0 DEAERO Cc1csc(C2CC[NH+]([C@@H](C)CN3CCOCC3)CC2)n1 ZINC000091552710 193072852 /nfs/dbraw/zinc/07/28/52/193072852.db2.gz HRVSDOFKSFEGSP-AWEZNQCLSA-N 1 0 309.479 2.352 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)C(C)(C)N1CCCC1 ZINC000091563630 193073716 /nfs/dbraw/zinc/07/37/16/193073716.db2.gz NXHZKMQNGWQUJF-AWEZNQCLSA-N 1 0 304.500 2.054 10 0 DEAERO C[NH2+]CC[C@@](C)(O)Cc1cc(OC)ccc1Br ZINC000091467089 193060050 /nfs/dbraw/zinc/06/00/50/193060050.db2.gz HNUFQEOXDVNLLH-CYBMUJFWSA-N 1 0 302.212 2.361 10 0 DEAERO CCC[NH2+]C[C@H](O)Cc1ccc(OC)c(Br)c1 ZINC000091467997 193060077 /nfs/dbraw/zinc/06/00/77/193060077.db2.gz DBKDVZKJWASCTI-LLVKDONJSA-N 1 0 302.212 2.361 10 0 DEAERO c1ccc2c(c1)CSC[C@@H]2NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666431 193088621 /nfs/dbraw/zinc/08/86/21/193088621.db2.gz DYRBFUGLUFQZKP-VYDXJSESSA-N 1 0 304.459 2.427 10 0 DEAERO C[NH2+][C@H](Cc1cccc(C(F)(F)F)c1)[C@@H]1CN(C)CCO1 ZINC000091717715 193097063 /nfs/dbraw/zinc/09/70/63/193097063.db2.gz QWSPGSWTADQVQV-KGLIPLIRSA-N 1 0 302.340 2.167 10 0 DEAERO CC[NH2+][C@@H](Cc1cc(Cl)ccc1OC)[C@@H]1CN(C)CCO1 ZINC000091718298 193097126 /nfs/dbraw/zinc/09/71/26/193097126.db2.gz VLEQITVDWZVVTO-HOCLYGCPSA-N 1 0 312.841 2.200 10 0 DEAERO C[NH2+][C@@H](Cc1c(Cl)cccc1Cl)[C@@H]1CN(C)CCO1 ZINC000091718122 193097267 /nfs/dbraw/zinc/09/72/67/193097267.db2.gz XSPRCMQXQHEUGF-KBPBESRZSA-N 1 0 303.233 2.455 10 0 DEAERO O=C1N(Cc2cc(Cl)ccc2Cl)C[C@H]2C[NH2+]CCN12 ZINC000091751288 193101900 /nfs/dbraw/zinc/10/19/00/193101900.db2.gz XGJVIBBTARUTKI-LLVKDONJSA-N 1 0 300.189 2.203 10 0 DEAERO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1ccsc1)CCC2 ZINC000624389995 365406359 /nfs/dbraw/zinc/40/63/59/365406359.db2.gz RNIFXWPSPJNEDC-UHFFFAOYSA-N 1 0 308.428 2.348 10 0 DEAERO CC[NH2+][C@@H](c1ccn(CC(=O)NCC(F)(F)F)c1)C1CC1 ZINC000091838406 193115646 /nfs/dbraw/zinc/11/56/46/193115646.db2.gz NHNQGULONRGAHL-CYBMUJFWSA-N 1 0 303.328 2.227 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(C)c(Cl)s1 ZINC000624393628 365407729 /nfs/dbraw/zinc/40/77/29/365407729.db2.gz FCGPVZIKJRULDV-DTWKUNHWSA-N 1 0 308.856 2.129 10 0 DEAERO C[N@H+](Cc1nccn1C(F)F)C1CCC2(CC1)OCCO2 ZINC000091853763 193117781 /nfs/dbraw/zinc/11/77/81/193117781.db2.gz HPQDHPXXVWPBRR-UHFFFAOYSA-N 1 0 301.337 2.396 10 0 DEAERO [NH3+]CC1([C@H](O)c2ccc(F)c(Br)c2)CCOCC1 ZINC000091911794 193124703 /nfs/dbraw/zinc/12/47/03/193124703.db2.gz QDDLLUJHFVHLEM-GFCCVEGCSA-N 1 0 318.186 2.377 10 0 DEAERO C[C@@H](C[NH3+])[C@@H](O)c1cc(Br)c2c(c1)OCCCO2 ZINC000091913324 193125781 /nfs/dbraw/zinc/12/57/81/193125781.db2.gz JNBPWQCZOHGDOX-QPUJVOFHSA-N 1 0 316.195 2.239 10 0 DEAERO CSCCC[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092050079 193148629 /nfs/dbraw/zinc/14/86/29/193148629.db2.gz HJSJYSKILPGKIS-UHFFFAOYSA-N 1 0 315.240 2.335 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000262451139 291379242 /nfs/dbraw/zinc/37/92/42/291379242.db2.gz HTKJYUXPXPPJRD-LZLYRXPVSA-N 1 0 302.418 2.352 10 0 DEAERO CCC(=O)CCC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000450782959 242214236 /nfs/dbraw/zinc/21/42/36/242214236.db2.gz ZTKXIMPQEMIIND-IBGZPJMESA-N 1 0 318.461 2.315 10 0 DEAERO CO[C@@H]1CN(Cc2ccc(Br)s2)[C@@](C)(C[NH3+])C1 ZINC000630366569 367613515 /nfs/dbraw/zinc/61/35/15/367613515.db2.gz XYTJATZUKLBEQT-JOYOIKCWSA-N 1 0 319.268 2.449 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000450814678 242259648 /nfs/dbraw/zinc/25/96/48/242259648.db2.gz ZEXZYNMDOVDHBP-RFAUZJTJSA-N 1 0 311.332 2.422 10 0 DEAERO c1c(-c2cccc(NCc3ccncc3)c2)nnn1[C@H]1CC[NH2+]C1 ZINC000630596818 367746988 /nfs/dbraw/zinc/74/69/88/367746988.db2.gz SQUFDMUPBGPNIK-KRWDZBQOSA-N 1 0 320.400 2.487 10 0 DEAERO [NH3+]C[C@@H]1CN(c2nnc(C(F)F)s2)CC[C@H]1C(F)(F)F ZINC000630527805 367708547 /nfs/dbraw/zinc/70/85/47/367708547.db2.gz WAUBHSFMRHZYOO-PHDIDXHHSA-N 1 0 316.299 2.439 10 0 DEAERO CCCc1nsc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000630527995 367708783 /nfs/dbraw/zinc/70/87/83/367708783.db2.gz WOBFBXVVPXQEAF-IUCAKERBSA-N 1 0 308.373 2.454 10 0 DEAERO Cc1oc(C[NH2+]C2CC2)cc1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113495 193161026 /nfs/dbraw/zinc/16/10/26/193161026.db2.gz FOKMRVOHWIFCES-PHIMTYICSA-N 1 0 312.435 2.117 10 0 DEAERO C[NH2+]Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092113519 193161051 /nfs/dbraw/zinc/16/10/51/193161051.db2.gz XIRHDGPGQNHHOD-PHIMTYICSA-N 1 0 316.854 2.336 10 0 DEAERO CC[NH2+]CCc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc1 ZINC000092113529 193161360 /nfs/dbraw/zinc/16/13/60/193161360.db2.gz PGBAJZXFDNYZOH-ZIAGYGMSSA-N 1 0 310.463 2.115 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)cn1C(C)C ZINC000092113919 193161774 /nfs/dbraw/zinc/16/17/74/193161774.db2.gz KWXAATXKECGGAJ-BETUJISGSA-N 1 0 313.467 2.065 10 0 DEAERO CCCC1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2F)CC1 ZINC000092116059 193164201 /nfs/dbraw/zinc/16/42/01/193164201.db2.gz KERKSYJCLQDMCE-UHFFFAOYSA-N 1 0 314.426 2.485 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)CC2)c(F)c1 ZINC000092116173 193164366 /nfs/dbraw/zinc/16/43/66/193164366.db2.gz GAUJSIHINBAERF-LBPRGKRZSA-N 1 0 314.426 2.356 10 0 DEAERO CC1(C)CCCN(S(=O)(=O)c2ccc(C[NH3+])cc2F)CC1 ZINC000092116263 193164374 /nfs/dbraw/zinc/16/43/74/193164374.db2.gz ZMBPKAIUUOYFHC-UHFFFAOYSA-N 1 0 314.426 2.485 10 0 DEAERO c1c(C[NH2+]C2(Cc3ccccc3)CC2)nnn1C[C@H]1CCOC1 ZINC000631112866 368022790 /nfs/dbraw/zinc/02/27/90/368022790.db2.gz BUJHVRTVPAEVJM-MRXNPFEDSA-N 1 0 312.417 2.180 10 0 DEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(OCC(F)(F)F)cc2)C1 ZINC000092202813 193173129 /nfs/dbraw/zinc/17/31/29/193173129.db2.gz VGLRZTFMYRDONZ-UWVGGRQHSA-N 1 0 300.280 2.470 10 0 DEAERO c1ccc(COC2CC([NH2+]C3CN(c4ccncn4)C3)C2)cc1 ZINC000631747513 368366496 /nfs/dbraw/zinc/36/64/96/368366496.db2.gz JTBPZIYEIDQJEO-UHFFFAOYSA-N 1 0 310.401 2.003 10 0 DEAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCO3)C1(C)C ZINC000451502438 243041196 /nfs/dbraw/zinc/04/11/96/243041196.db2.gz PNUXXAMAXMINKR-AMKSKSKJSA-N 1 0 320.389 2.003 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)C[C@@H](O)COCc2ccccc2)C1 ZINC000249574728 202807414 /nfs/dbraw/zinc/80/74/14/202807414.db2.gz PFVYINXGIYXIJE-NXHRZFHOSA-N 1 0 307.434 2.047 10 0 DEAERO [NH3+][C@H]1CCCCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000631959854 368468133 /nfs/dbraw/zinc/46/81/33/368468133.db2.gz CQMCRRLBCAUGNR-JTQLQIEISA-N 1 0 320.817 2.371 10 0 DEAERO O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631995454 368485300 /nfs/dbraw/zinc/48/53/00/368485300.db2.gz GPVVUKBXXYIZRB-FZMZJTMJSA-N 1 0 314.838 2.103 10 0 DEAERO Cc1nnc(SC[C@H]2Cc3ccccc3S2)n1CC[NH3+] ZINC000092262748 193182755 /nfs/dbraw/zinc/18/27/55/193182755.db2.gz LYCULBOGJJDERI-GFCCVEGCSA-N 1 0 306.460 2.354 10 0 DEAERO C[C@@H](C[NH2+]C1CC1)CN1C(=O)C(=O)c2cc(Cl)c(F)cc21 ZINC000092750929 193188208 /nfs/dbraw/zinc/18/82/08/193188208.db2.gz CFTCMNFYDYQKKY-QMMMGPOBSA-N 1 0 310.756 2.397 10 0 DEAERO CC[N@H+](CCCOc1ccccc1C(N)=S)CC(C)(C)O ZINC000092967254 193189335 /nfs/dbraw/zinc/18/93/35/193189335.db2.gz VUXZHKUVSBQRHW-UHFFFAOYSA-N 1 0 310.463 2.183 10 0 DEAERO COCC[NH2+]Cc1c(Cl)cccc1N(C)CC(C)(C)O ZINC000092971110 193190079 /nfs/dbraw/zinc/19/00/79/193190079.db2.gz SKMUWNMAUKFYAJ-UHFFFAOYSA-N 1 0 300.830 2.283 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000262112100 203203078 /nfs/dbraw/zinc/20/30/78/203203078.db2.gz HOVZJFRDJVKPTH-HNNXBMFYSA-N 1 0 321.812 2.436 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@]12CC[NH2+]C[C@@H]2c1ccc(F)cc1 ZINC000093155244 193209192 /nfs/dbraw/zinc/20/91/92/193209192.db2.gz MMYOVYSVPNZJDH-OAGGEKHMSA-N 1 0 311.422 2.486 10 0 DEAERO Cc1ccc(C)c(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)c1 ZINC000262415158 203287513 /nfs/dbraw/zinc/28/75/13/203287513.db2.gz PVAHWWMAAOWVBN-UHFFFAOYSA-N 1 0 313.405 2.151 10 0 DEAERO [NH3+]C[C@@H](c1ccccc1F)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000093179303 193211779 /nfs/dbraw/zinc/21/17/79/193211779.db2.gz ZQLMKUQYGFNLND-UONOGXRCSA-N 1 0 305.374 2.439 10 0 DEAERO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C[C@H]1CCC[NH2+]C1 ZINC000262041730 284151106 /nfs/dbraw/zinc/15/11/06/284151106.db2.gz YINAKZVMODDSIK-UAGQMJEPSA-N 1 0 308.466 2.430 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000093211719 193217654 /nfs/dbraw/zinc/21/76/54/193217654.db2.gz IUJCEMNELXCKPX-GXSJLCMTSA-N 1 0 304.362 2.365 10 0 DEAERO CCn1nc(C)c(Br)c1CO[C@@H]1CC[C@H]([NH3+])C1 ZINC000093216629 193217658 /nfs/dbraw/zinc/21/76/58/193217658.db2.gz ABKJYIDCQWXPEC-VHSXEESVSA-N 1 0 302.216 2.370 10 0 DEAERO C[NH2+][C@H](Cc1cc(Br)ccc1F)C(OC)OC ZINC000093304944 193227257 /nfs/dbraw/zinc/22/72/57/193227257.db2.gz UVXFYBJCLOVTDD-LLVKDONJSA-N 1 0 306.175 2.338 10 0 DEAERO CC(C)[C@H](C[NH+](C)C)Nc1ncc(N)cc1Br ZINC000093432851 193249949 /nfs/dbraw/zinc/24/99/49/193249949.db2.gz USOSHFLEQQGABD-NSHDSACASA-N 1 0 301.232 2.424 10 0 DEAERO COCCN1C(=[NH2+])NC[C@]1(C)c1cc(Cl)ccc1Cl ZINC000093380483 193241190 /nfs/dbraw/zinc/24/11/90/193241190.db2.gz HERFYHAUKFIQQE-CYBMUJFWSA-N 1 0 302.205 2.485 10 0 DEAERO C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(S(C)(=O)=O)nc1 ZINC000093514967 193262730 /nfs/dbraw/zinc/26/27/30/193262730.db2.gz WFFARQHKAORRGK-CHWSQXEVSA-N 1 0 311.451 2.208 10 0 DEAERO CC(C)(C[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1)S(C)(=O)=O ZINC000093519898 193263156 /nfs/dbraw/zinc/26/31/56/193263156.db2.gz ICAZRESFSXMGOI-GFCCVEGCSA-N 1 0 317.838 2.056 10 0 DEAERO Cc1c(Cl)cnn1CC[C@H]1CCC[C@@]1([NH2+]C1CC1)C(N)=O ZINC000093616123 193275067 /nfs/dbraw/zinc/27/50/67/193275067.db2.gz ZTSCDCBLUBRYJA-ABAIWWIYSA-N 1 0 310.829 2.011 10 0 DEAERO Cc1nnc(SCC[C@H]2CCC[C@]2(CO)[NH2+]C(C)C)n1C ZINC000093622294 193275830 /nfs/dbraw/zinc/27/58/30/193275830.db2.gz KFQSWBCBNRTNFR-UKRRQHHQSA-N 1 0 312.483 2.135 10 0 DEAERO CCc1nn(CC)c(C[C@@H]([NH3+])[C@H](C)OC)c1Br ZINC000093689998 193289369 /nfs/dbraw/zinc/28/93/69/193289369.db2.gz UYFUOPDUXNLHDJ-DTWKUNHWSA-N 1 0 304.232 2.133 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000093696620 193291903 /nfs/dbraw/zinc/29/19/03/193291903.db2.gz XYYOYEPISARAOK-CHWSQXEVSA-N 1 0 314.426 2.148 10 0 DEAERO CC[NH2+][C@H](C)[C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093698110 193292781 /nfs/dbraw/zinc/29/27/81/193292781.db2.gz JFZVPUIANVPRHA-ILXRZTDVSA-N 1 0 304.500 2.318 10 0 DEAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1C ZINC000093699974 193293910 /nfs/dbraw/zinc/29/39/10/193293910.db2.gz XSGFPHRXAUAKBC-ZBFHGGJFSA-N 1 0 310.463 2.317 10 0 DEAERO CCC[NH2+][C@@H](CSCC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700432 193294262 /nfs/dbraw/zinc/29/42/62/193294262.db2.gz XTFWQEWVQPUENV-ZIAGYGMSSA-N 1 0 322.540 2.169 10 0 DEAERO CC1CCC([C@@H]([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093700182 193294374 /nfs/dbraw/zinc/29/43/74/193294374.db2.gz PQDGJYTWYOLCCE-JYVUQVBGSA-N 1 0 302.484 2.202 10 0 DEAERO CC[NH2+]CC1(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCCC1 ZINC000093701493 193294574 /nfs/dbraw/zinc/29/45/74/193294574.db2.gz DXHIHVHFXCSJGC-AWEZNQCLSA-N 1 0 302.484 2.218 10 0 DEAERO CC(C)C[NH2+]C[C@@H](C)CC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702323 193295243 /nfs/dbraw/zinc/29/52/43/193295243.db2.gz YUBKYCYRDRDVFC-GJZGRUSLSA-N 1 0 304.500 2.320 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2cccc(Cl)c2F)CC1 ZINC000093740351 193297983 /nfs/dbraw/zinc/29/79/83/193297983.db2.gz RVJHWHFTLJAQHR-ZDUSSCGKSA-N 1 0 300.805 2.368 10 0 DEAERO C[NH2+][C@]1(C(=O)[O-])CCC[C@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093756642 193301947 /nfs/dbraw/zinc/30/19/47/193301947.db2.gz SOTYKRABVNOFQP-GMXVVIOVSA-N 1 0 308.344 2.246 10 0 DEAERO CCOC(=O)[C@]1(NC)CCC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756575 193302160 /nfs/dbraw/zinc/30/21/60/193302160.db2.gz RCSDVJSNLJLJBI-AAEUAGOBSA-N 1 0 310.360 2.335 10 0 DEAERO Cc1cnc(S[C@@H]2CCC[C@]([NH2+]C(C)C)(C(N)=O)C2)nc1 ZINC000093778964 193306339 /nfs/dbraw/zinc/30/63/39/193306339.db2.gz ALMZRQMHZVHXKX-IUODEOHRSA-N 1 0 308.451 2.042 10 0 DEAERO COC(=O)[C@@]1([NH3+])CCC[C@@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093780500 193307111 /nfs/dbraw/zinc/30/71/11/193307111.db2.gz BWFYNGUNEOOCBU-IUODEOHRSA-N 1 0 309.435 2.307 10 0 DEAERO Cc1nn([C@H]2CCC[C@@]([NH3+])(CO)C2)c(C)c1Br ZINC000093783888 193307937 /nfs/dbraw/zinc/30/79/37/193307937.db2.gz BBZQIGOGFWNDEQ-JQWIXIFHSA-N 1 0 302.216 2.067 10 0 DEAERO C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccncc2)CCN1C ZINC000093644850 193281943 /nfs/dbraw/zinc/28/19/43/193281943.db2.gz SRCBLBNNVNANHI-WMLDXEAASA-N 1 0 313.449 2.397 10 0 DEAERO COc1c(C)cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1C ZINC000093664360 193285679 /nfs/dbraw/zinc/28/56/79/193285679.db2.gz IPDMYNMNTJXXIS-KRWDZBQOSA-N 1 0 318.461 2.466 10 0 DEAERO CCCN(C1(C[NH3+])CCCCC1)S(=O)(=O)CCOC(C)C ZINC000093664784 193286156 /nfs/dbraw/zinc/28/61/56/193286156.db2.gz XDHLXKBNEUAPHW-UHFFFAOYSA-N 1 0 320.499 2.115 10 0 DEAERO C[NH2+][C@H](Cc1cc(F)cc(Br)c1)[C@H]1COCCO1 ZINC000094000202 193337945 /nfs/dbraw/zinc/33/79/45/193337945.db2.gz JFDSYRIQLYNDPH-CHWSQXEVSA-N 1 0 318.186 2.134 10 0 DEAERO CC(C)[NH2+][C@]1(C(N)=O)CC[C@@H](N(CC(F)(F)F)C(C)C)C1 ZINC000093826240 193313709 /nfs/dbraw/zinc/31/37/09/193313709.db2.gz RVVDAKLZZZFQGD-DGCLKSJQSA-N 1 0 309.376 2.034 10 0 DEAERO CCCN(CC(=O)N(C)Cc1cccs1)CC(C)(C)C[NH3+] ZINC000093891708 193324231 /nfs/dbraw/zinc/32/42/31/193324231.db2.gz REEKJKHEQCEMKJ-UHFFFAOYSA-N 1 0 311.495 2.403 10 0 DEAERO C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CN(C)CCN1C ZINC000093894522 193325904 /nfs/dbraw/zinc/32/59/04/193325904.db2.gz VSCMEPIDLAMXMM-ZIAGYGMSSA-N 1 0 302.249 2.500 10 0 DEAERO Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)[nH+]c1N ZINC000094259996 193355335 /nfs/dbraw/zinc/35/53/35/193355335.db2.gz MGLRUQUUSNOUJV-UHFFFAOYSA-N 1 0 303.797 2.226 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000094345057 193362365 /nfs/dbraw/zinc/36/23/65/193362365.db2.gz QNLCFNUNMOUSRI-PHDIDXHHSA-N 1 0 308.250 2.110 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(OCCCS(C)(=O)=O)c(F)c1 ZINC000094347228 193363017 /nfs/dbraw/zinc/36/30/17/193363017.db2.gz LABWNHNOGYDKDH-UHFFFAOYSA-N 1 0 321.389 2.278 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(OC[C@H](O)COCC)c(F)c1 ZINC000094347093 193363213 /nfs/dbraw/zinc/36/32/13/193363213.db2.gz LYGPAXSWONSGRA-GFCCVEGCSA-N 1 0 303.349 2.241 10 0 DEAERO CCCCNC(=O)[C@@H](C)Oc1c(F)cc(C[NH2+]C)cc1F ZINC000094346634 193363421 /nfs/dbraw/zinc/36/34/21/193363421.db2.gz WPALHNCVSNDCCR-SNVBAGLBSA-N 1 0 300.349 2.368 10 0 DEAERO CC[NH2+]Cc1cc(F)c(OCC(=O)NC(C)(C)C)c(F)c1 ZINC000094346941 193363452 /nfs/dbraw/zinc/36/34/52/193363452.db2.gz NNFSVXDESUCXJJ-UHFFFAOYSA-N 1 0 300.349 2.368 10 0 DEAERO CCCNC(=O)COc1c(F)cc(C[C@H]([NH3+])CC)cc1F ZINC000094350582 193363475 /nfs/dbraw/zinc/36/34/75/193363475.db2.gz HSMNUHXIGCAAHD-LLVKDONJSA-N 1 0 300.349 2.150 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(O[C@H](C)C(=O)N(C)C)c(F)c1 ZINC000094347285 193363811 /nfs/dbraw/zinc/36/38/11/193363811.db2.gz AJJLAXCDLGCYKX-SNVBAGLBSA-N 1 0 300.349 2.320 10 0 DEAERO CCCNc1ncc(C[N@H+](CCCOC)CCOC)s1 ZINC000094192833 193348503 /nfs/dbraw/zinc/34/85/03/193348503.db2.gz PERCLHSSUOMKRX-UHFFFAOYSA-N 1 0 301.456 2.450 10 0 DEAERO COc1cccc(C[C@H]([NH3+])[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000094641883 193388779 /nfs/dbraw/zinc/38/87/79/193388779.db2.gz JTKQEOTUUBFNIW-KBMXLJTQSA-N 1 0 311.447 2.168 10 0 DEAERO CC(C)C[C@H](C[NH3+])C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000094698384 193391592 /nfs/dbraw/zinc/39/15/92/193391592.db2.gz HMJHTQUMUZMHON-OAHLLOKOSA-N 1 0 309.479 2.013 10 0 DEAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094368581 193366446 /nfs/dbraw/zinc/36/64/46/193366446.db2.gz OLMJMVYXRZTGTI-UONOGXRCSA-N 1 0 314.495 2.326 10 0 DEAERO CC(C)C[NH2+]Cc1cn([C@@H]2CCO[C@]3(CCSC3)C2)nn1 ZINC000094419118 193368644 /nfs/dbraw/zinc/36/86/44/193368644.db2.gz AKJCFJCJPAVLMJ-HUUCEWRRSA-N 1 0 310.467 2.251 10 0 DEAERO CC1(C)CCSC[C@H]1[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000094483138 193372344 /nfs/dbraw/zinc/37/23/44/193372344.db2.gz HNNCEAZVNSKIMF-DZGCQCFKSA-N 1 0 309.479 2.374 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@H]2CSCCS2)c1Cl ZINC000094497194 193374199 /nfs/dbraw/zinc/37/41/99/193374199.db2.gz LNJKAFURMWUTCT-LDYMZIIASA-N 1 0 305.900 2.354 10 0 DEAERO CCC[NH2+][C@@H](Cc1ncnn1CCC)[C@H]1CSCCS1 ZINC000094498981 193374504 /nfs/dbraw/zinc/37/45/04/193374504.db2.gz AKNRXFOUDRSLEH-QWHCGFSZSA-N 1 0 314.524 2.447 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094509282 193375347 /nfs/dbraw/zinc/37/53/47/193375347.db2.gz VISLGOLUGQCNRQ-CABCVRRESA-N 1 0 314.260 2.124 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2cccc(-c3nccs3)c2)O1 ZINC000094567504 193380911 /nfs/dbraw/zinc/38/09/11/193380911.db2.gz PULOQUQJXYAQSM-CHWSQXEVSA-N 1 0 303.387 2.255 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094568008 193381111 /nfs/dbraw/zinc/38/11/11/193381111.db2.gz ONZYOWCYPKYJJD-DGCLKSJQSA-N 1 0 317.216 2.458 10 0 DEAERO Nc1ccc(C(F)(F)F)cc1C(=O)NCC[NH+]1CCCC1 ZINC000094596078 193382263 /nfs/dbraw/zinc/38/22/63/193382263.db2.gz VVTYMHBXNMXDFY-UHFFFAOYSA-N 1 0 301.312 2.113 10 0 DEAERO CCCN(c1nc2ccc(Br)cn2n1)[C@@H]1CC[NH2+]C1 ZINC000094608118 193384538 /nfs/dbraw/zinc/38/45/38/193384538.db2.gz JKTFZIFHDBAXRA-LLVKDONJSA-N 1 0 324.226 2.070 10 0 DEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1nc2ccc(Br)cn2n1 ZINC000094608456 193384836 /nfs/dbraw/zinc/38/48/36/193384836.db2.gz UTSHBSKHTYUYBT-ZJUUUORDSA-N 1 0 324.226 2.055 10 0 DEAERO C[NH2+][C@@H](C)c1cc(F)ccc1OCC(=O)NCC(F)(F)F ZINC000094619499 193385331 /nfs/dbraw/zinc/38/53/31/193385331.db2.gz NKIOZLNNLHWBOE-QMMMGPOBSA-N 1 0 308.275 2.163 10 0 DEAERO NC(=O)c1cc(NC(=O)[C@@H]2CCCCC[C@H]2[NH3+])ccc1Cl ZINC000094750601 193395553 /nfs/dbraw/zinc/39/55/53/193395553.db2.gz RDURCHIXWRRRCI-ZWNOBZJWSA-N 1 0 309.797 2.285 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)Cc2ccccc2C[NH3+])C1 ZINC000094801007 193398965 /nfs/dbraw/zinc/39/89/65/193398965.db2.gz JNCNKAMSLDZWMY-UHFFFAOYSA-N 1 0 310.463 2.487 10 0 DEAERO CCc1nn(C)c(C[NH2+]C[C@@]2(C)CCCO2)c1Br ZINC000094801838 193399412 /nfs/dbraw/zinc/39/94/12/193399412.db2.gz IXPVNARSRBZHSC-CYBMUJFWSA-N 1 0 316.243 2.404 10 0 DEAERO CCN1C[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1=O ZINC000453356498 245091157 /nfs/dbraw/zinc/09/11/57/245091157.db2.gz LSKHBCLLHNYORB-DJIMGWMZSA-N 1 0 302.418 2.365 10 0 DEAERO COC(=O)[C@H](N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1F ZINC000246166622 284289246 /nfs/dbraw/zinc/28/92/46/284289246.db2.gz FBPHUIJPTLRWSV-UHOFOFEASA-N 1 0 308.397 2.358 10 0 DEAERO CC[NH2+]C[C@@](C)(O)Cc1cc(OC)ccc1Br ZINC000097210035 193692391 /nfs/dbraw/zinc/69/23/91/193692391.db2.gz QWJGBCSOHGZEKA-ZDUSSCGKSA-N 1 0 302.212 2.361 10 0 DEAERO CCC[NH2+][C@H](c1ccnn1C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097313285 193706642 /nfs/dbraw/zinc/70/66/42/193706642.db2.gz WCMIZXWGIUTDNB-IPYPFGDCSA-N 1 0 313.467 2.064 10 0 DEAERO O=C(c1ccc(I)cc1)[C@@H]1CCC[NH2+]C1 ZINC000019414780 182122519 /nfs/dbraw/zinc/12/25/19/182122519.db2.gz GOLVBXACSKZJKV-SNVBAGLBSA-N 1 0 315.154 2.474 10 0 DEAERO CN(C)CC[NH2+]CCOc1cc(F)ccc1Br ZINC000160598009 197425082 /nfs/dbraw/zinc/42/50/82/197425082.db2.gz CDKLCURQFSPDID-UHFFFAOYSA-N 1 0 305.191 2.118 10 0 DEAERO CCN(c1ccccc1)S(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000020188969 182195716 /nfs/dbraw/zinc/19/57/16/182195716.db2.gz IITRUYVKXSVZHV-UHFFFAOYSA-N 1 0 308.378 2.500 10 0 DEAERO Fc1ccc(Br)cc1C[NH2+]C[C@@H]1CCOCO1 ZINC000160125160 197387695 /nfs/dbraw/zinc/38/76/95/197387695.db2.gz RHYZIDHQZHXPTG-NSHDSACASA-N 1 0 304.159 2.441 10 0 DEAERO O=C(CN1CC[NH2+]CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000020521246 182226385 /nfs/dbraw/zinc/22/63/85/182226385.db2.gz LPUUUOPUAUOOGI-UHFFFAOYSA-N 1 0 321.730 2.203 10 0 DEAERO CCOC(=O)N[C@H](C[NH3+])c1ccc(OC)c(OC(F)F)c1 ZINC000020551457 182229980 /nfs/dbraw/zinc/22/99/80/182229980.db2.gz YGETVNGMIWIZEN-SECBINFHSA-N 1 0 304.293 2.043 10 0 DEAERO COc1c(Cl)cc(CNCC[NH2+]C[C@@H](C)O)cc1Cl ZINC000020967746 182256755 /nfs/dbraw/zinc/25/67/55/182256755.db2.gz ASKIVWIHGDYXAN-SECBINFHSA-N 1 0 307.221 2.062 10 0 DEAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1ccc(Br)s1 ZINC000036258366 182811428 /nfs/dbraw/zinc/81/14/28/182811428.db2.gz SDRMRDBJNRQRHD-HLTSFMKQSA-N 1 0 315.236 2.333 10 0 DEAERO CC[C@H]([NH2+]CCS(N)(=O)=O)c1ccc(Cl)cc1Cl ZINC000036744718 182840344 /nfs/dbraw/zinc/84/03/44/182840344.db2.gz CUGGJUUFUBBMTJ-NSHDSACASA-N 1 0 311.234 2.323 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000457768166 248004264 /nfs/dbraw/zinc/00/42/64/248004264.db2.gz WOEQOHVOJQXBGQ-MRXNPFEDSA-N 1 0 318.417 2.338 10 0 DEAERO CC[C@@H]([NH3+])[C@H](O)c1cc(OC)c(OC)cc1Br ZINC000037754961 182924094 /nfs/dbraw/zinc/92/40/94/182924094.db2.gz VKRCYGKWLKPRAO-BXKDBHETSA-N 1 0 304.184 2.237 10 0 DEAERO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1c(Br)cnn1C ZINC000487307152 248753287 /nfs/dbraw/zinc/75/32/87/248753287.db2.gz IGMFMWFGIHMQGH-JOYOIKCWSA-N 1 0 304.232 2.069 10 0 DEAERO O=C1C(C[NH2+]CCc2ccccc2)=CC2=CC=C[C@H]3CCN1[C@H]23 ZINC000039287458 183016354 /nfs/dbraw/zinc/01/63/54/183016354.db2.gz KLIANTXYBOVEAE-LPHOPBHVSA-N 1 0 306.409 2.472 10 0 DEAERO CCOc1cc(/C=C\C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1O ZINC000492405849 249057811 /nfs/dbraw/zinc/05/78/11/249057811.db2.gz LEFQQOKKIRKCQL-LYASGUKUSA-N 1 0 316.401 2.111 10 0 DEAERO CCCOc1ccc(NC(=O)[C@@H]2C[C@H](OC)C[NH2+]2)cc1Cl ZINC000040634362 183112585 /nfs/dbraw/zinc/11/25/85/183112585.db2.gz ZHYLAWNVIVMZSW-AAEUAGOBSA-N 1 0 312.797 2.444 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000040853274 183141877 /nfs/dbraw/zinc/14/18/77/183141877.db2.gz AMWWMKFXIAZZJP-SNVBAGLBSA-N 1 0 310.419 2.479 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000040858921 183143396 /nfs/dbraw/zinc/14/33/96/183143396.db2.gz FWNXOGIGSVIFIP-HNNXBMFYSA-N 1 0 310.419 2.479 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000040746767 183129071 /nfs/dbraw/zinc/12/90/71/183129071.db2.gz UBNHAMNZQPUKRL-YIONKMFJSA-N 1 0 308.447 2.207 10 0 DEAERO COc1cccc(-c2cc(C(=O)NCCC[NH+](C)C)no2)c1 ZINC000041132294 183171008 /nfs/dbraw/zinc/17/10/08/183171008.db2.gz LUVWDVXSRPNRCK-UHFFFAOYSA-N 1 0 303.362 2.032 10 0 DEAERO CN(c1c2c([nH+]c3ccccc31)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000041477761 183193799 /nfs/dbraw/zinc/19/37/99/183193799.db2.gz QJULYIINBQYKMO-LBPRGKRZSA-N 1 0 316.426 2.347 10 0 DEAERO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1F ZINC000041664119 183213538 /nfs/dbraw/zinc/21/35/38/183213538.db2.gz NSEGPYZPVTYMCI-ZDUSSCGKSA-N 1 0 321.396 2.063 10 0 DEAERO CCC[NH2+]Cc1cccc(Br)c1O[C@H](C)C(N)=O ZINC000042411782 183266341 /nfs/dbraw/zinc/26/63/41/183266341.db2.gz RCAVAVMOZQEPBQ-SECBINFHSA-N 1 0 315.211 2.201 10 0 DEAERO CN(Cc1ccccc1Br)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042440955 183269965 /nfs/dbraw/zinc/26/99/65/183269965.db2.gz YXNSLZDGBLPCBI-OCCSQVGLSA-N 1 0 313.239 2.245 10 0 DEAERO CN(Cc1cccc(Br)c1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042440372 183270106 /nfs/dbraw/zinc/27/01/06/183270106.db2.gz ASANKWOHPJDXJE-OCCSQVGLSA-N 1 0 313.239 2.245 10 0 DEAERO COCCN(C)[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000042458658 183272982 /nfs/dbraw/zinc/27/29/82/183272982.db2.gz HNXMVLCLYNLPCA-GFCCVEGCSA-N 1 0 305.191 2.166 10 0 DEAERO CC(C)[C@@H](CNC(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000042551562 183283772 /nfs/dbraw/zinc/28/37/72/183283772.db2.gz XHOJLVVOIMZPRW-CQSZACIVSA-N 1 0 304.390 2.266 10 0 DEAERO CC[C@@H](C)[N@H+](CCOC)CCOc1cccc(C(N)=S)c1 ZINC000042583197 183287138 /nfs/dbraw/zinc/28/71/38/183287138.db2.gz ASKAYJZLQSMMHD-CYBMUJFWSA-N 1 0 310.463 2.447 10 0 DEAERO COCCN([C@H](C)COC)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042602960 183290616 /nfs/dbraw/zinc/29/06/16/183290616.db2.gz FAAVDJSSTLZFOF-MNOVXSKESA-N 1 0 306.859 2.385 10 0 DEAERO CCN(CC(F)(F)F)[C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000042739530 183303561 /nfs/dbraw/zinc/30/35/61/183303561.db2.gz FNALKVNBXAFYDE-SNVBAGLBSA-N 1 0 303.328 2.357 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CCC(CC(N)=O)CC1 ZINC000043052452 183333081 /nfs/dbraw/zinc/33/30/81/183333081.db2.gz KMZKRSQAJXOESG-MEDUHNTESA-N 1 0 309.841 2.316 10 0 DEAERO COCCN(C)[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042954369 183321462 /nfs/dbraw/zinc/32/14/62/183321462.db2.gz YKLXJYZCEPAQLP-GXFFZTMASA-N 1 0 301.228 2.416 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CCO)C1CC1 ZINC000042955252 183322403 /nfs/dbraw/zinc/32/24/03/183322403.db2.gz XFXYQNWGWOOAII-YGRLFVJLSA-N 1 0 313.239 2.294 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1cccc(F)c1 ZINC000042974825 183325380 /nfs/dbraw/zinc/32/53/80/183325380.db2.gz KPJNTXALIMQSJS-GWCFXTLKSA-N 1 0 307.398 2.351 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(CCO)C1CC1 ZINC000043021727 183329625 /nfs/dbraw/zinc/32/96/25/183329625.db2.gz WUYLHAGOIDCMBY-IINYFYTJSA-N 1 0 313.239 2.294 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CC(=O)N1CCCC1 ZINC000043052104 183332577 /nfs/dbraw/zinc/33/25/77/183332577.db2.gz DPXIIRZEMCRZRG-BLLLJJGKSA-N 1 0 309.841 2.283 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1sccc1C)N(CCOC)CCOC ZINC000043248093 183347264 /nfs/dbraw/zinc/34/72/64/183347264.db2.gz FWHBSASCHWXFHS-KGLIPLIRSA-N 1 0 300.468 2.430 10 0 DEAERO CCN(CC(=O)NC(C)C)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000043253641 183348470 /nfs/dbraw/zinc/34/84/70/183348470.db2.gz NJQNCUQVEBDDMY-SNVBAGLBSA-N 1 0 303.859 2.248 10 0 DEAERO COCCN(C)[C@H](c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000043286632 183350505 /nfs/dbraw/zinc/35/05/05/183350505.db2.gz DTGNXDUSRJEZTE-KCJUWKMLSA-N 1 0 307.257 2.477 10 0 DEAERO [NH3+]C[C@@H](Sc1nc[nH]n1)c1cc(Br)cs1 ZINC000043290305 183351229 /nfs/dbraw/zinc/35/12/29/183351229.db2.gz UUCQELIUVZEODN-SSDOTTSWSA-N 1 0 305.226 2.421 10 0 DEAERO Cc1c(F)cccc1NS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000043322327 183355151 /nfs/dbraw/zinc/35/51/51/183355151.db2.gz NTQLCRHYEFJDMB-GFCCVEGCSA-N 1 0 300.399 2.408 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1nnnn1C1CCCC1)c1ccncc1 ZINC000043363180 183357220 /nfs/dbraw/zinc/35/72/20/183357220.db2.gz WXBRMQLORXIMMS-GWCFXTLKSA-N 1 0 304.423 2.364 10 0 DEAERO CCCN(CCO)[C@H](C[NH3+])c1ccccc1Br ZINC000043092677 183335798 /nfs/dbraw/zinc/33/57/98/183335798.db2.gz PTGWFVMJPCKFJL-CYBMUJFWSA-N 1 0 301.228 2.153 10 0 DEAERO COC(=O)[C@H](C)Oc1c(Cl)cc(C[C@@H](C)[NH3+])cc1OC ZINC000043631075 183376307 /nfs/dbraw/zinc/37/63/07/183376307.db2.gz OCUNDPGIPWYGIS-BDAKNGLRSA-N 1 0 301.770 2.179 10 0 DEAERO CC(C)C[N@H+](CCC(N)=S)[C@H](C)C(=O)N1CCCCCC1 ZINC000043418490 183360575 /nfs/dbraw/zinc/36/05/75/183360575.db2.gz KNNHHATYMRKITR-CQSZACIVSA-N 1 0 313.511 2.412 10 0 DEAERO C[NH2+][C@@](C)(CCSc1ccc(Br)cc1)C(N)=O ZINC000045551377 183515089 /nfs/dbraw/zinc/51/50/89/183515089.db2.gz QZMBSSZPBKMLOX-LBPRGKRZSA-N 1 0 317.252 2.395 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c(F)c1 ZINC000104735508 194032991 /nfs/dbraw/zinc/03/29/91/194032991.db2.gz SXPKEOJNVHZYJW-ZDUSSCGKSA-N 1 0 314.426 2.287 10 0 DEAERO C[C@H](CCc1ccccc1)NC(=O)N1CCN(C2CC2)CC1 ZINC000105071354 194069600 /nfs/dbraw/zinc/06/96/00/194069600.db2.gz IZJLIJYWKVLOIH-OAHLLOKOSA-N 1 0 301.434 2.497 10 0 DEAERO C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105136334 194078236 /nfs/dbraw/zinc/07/82/36/194078236.db2.gz VGUVIDLWAMZANH-BRWVUGGUSA-N 1 0 323.481 2.461 10 0 DEAERO CC[C@@H]1CN(CCOc2cc(C)ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000105825098 194137473 /nfs/dbraw/zinc/13/74/73/194137473.db2.gz BANJITCMRSCZSM-QZTJIDSGSA-N 1 0 320.477 2.459 10 0 DEAERO Cc1ccc(C)c(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000105816775 194135979 /nfs/dbraw/zinc/13/59/79/194135979.db2.gz OFLZXFYGFHUNQZ-UHFFFAOYSA-N 1 0 322.416 2.063 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2nc3ccccc3n2C)C[C@@H]1C ZINC000105835603 194141573 /nfs/dbraw/zinc/14/15/73/194141573.db2.gz CMAWCNINKVWOEF-HNNXBMFYSA-N 1 0 316.449 2.116 10 0 DEAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2ccc(F)cc2)C[C@H]1CC ZINC000105838107 194144014 /nfs/dbraw/zinc/14/40/14/194144014.db2.gz YOFBYSYFHKYVJW-MSOLQXFVSA-N 1 0 324.440 2.292 10 0 DEAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2ccccc2)C[C@H]1CC ZINC000105837710 194144631 /nfs/dbraw/zinc/14/46/31/194144631.db2.gz RJFMKSIFSYCLBN-QGZVFWFLSA-N 1 0 319.449 2.058 10 0 DEAERO C[N@H+](CCCCCO)C[C@H](c1cccs1)N1CCOCC1 ZINC000105918123 194168769 /nfs/dbraw/zinc/16/87/69/194168769.db2.gz MRJGYDXCDRYPSV-OAHLLOKOSA-N 1 0 312.479 2.216 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCOc1ccc(OC)cc1 ZINC000048214624 183627365 /nfs/dbraw/zinc/62/73/65/183627365.db2.gz WWMSDUHJPGNDID-CQSZACIVSA-N 1 0 323.437 2.104 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246493918 284805566 /nfs/dbraw/zinc/80/55/66/284805566.db2.gz KBAMCKIEIGXMHE-QKPAOTATSA-N 1 0 323.481 2.364 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)Nc1ccc(S(C)(=O)=O)cc1N ZINC000049555020 183741169 /nfs/dbraw/zinc/74/11/69/183741169.db2.gz LNWGIWGPPBOVPU-GFCCVEGCSA-N 1 0 313.467 2.061 10 0 DEAERO CCC(CC)(C[NH3+])N(C)S(=O)(=O)c1ccc(F)cc1F ZINC000050093681 183772989 /nfs/dbraw/zinc/77/29/89/183772989.db2.gz SNKRMCZOPJJLAD-UHFFFAOYSA-N 1 0 306.378 2.103 10 0 DEAERO Nc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000159369109 197348555 /nfs/dbraw/zinc/34/85/55/197348555.db2.gz WVDKSHPPUXERAH-GFCCVEGCSA-N 1 0 310.239 2.311 10 0 DEAERO C[C@@H](C[NH3+])N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000109454025 194264324 /nfs/dbraw/zinc/26/43/24/194264324.db2.gz BLQTYVYMTVBIPY-LBPRGKRZSA-N 1 0 304.825 2.357 10 0 DEAERO CC[C@@H](C[NH3+])N1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000109460057 194265981 /nfs/dbraw/zinc/26/59/81/194265981.db2.gz JSGMORXKVWFSFK-HNNXBMFYSA-N 1 0 311.857 2.204 10 0 DEAERO CCCC[C@@H](CC)C(=O)N1CC[NH+]([C@H](CC)C(N)=S)CC1 ZINC000109461770 194266097 /nfs/dbraw/zinc/26/60/97/194266097.db2.gz GNGWXBRBYBFARS-ZIAGYGMSSA-N 1 0 313.511 2.412 10 0 DEAERO CS(=O)(=O)c1ccccc1NCc1ccc(C[NH3+])cc1F ZINC000109540796 194272072 /nfs/dbraw/zinc/27/20/72/194272072.db2.gz BVTNJSZTEHZPQO-UHFFFAOYSA-N 1 0 308.378 2.300 10 0 DEAERO C[NH2+][C@H]1C(=O)Nc2cc(OCCc3scnc3C)ccc21 ZINC000109574236 194275225 /nfs/dbraw/zinc/27/52/25/194275225.db2.gz RMNKZUXAOFWWKJ-CQSZACIVSA-N 1 0 303.387 2.286 10 0 DEAERO C[C@H](NC(=O)[C@H](C)N1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000109808561 194287586 /nfs/dbraw/zinc/28/75/86/194287586.db2.gz DPTSQMFSZHHHBW-ZOBUZTSGSA-N 1 0 303.450 2.278 10 0 DEAERO COc1ccc(CNC(=S)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000109670871 194278785 /nfs/dbraw/zinc/27/87/85/194278785.db2.gz ZMJNPGBJOSYQNN-CQSZACIVSA-N 1 0 307.463 2.096 10 0 DEAERO CN(C[C@H]1CC[N@H+](C)C1)c1cc(OC(F)F)c(F)cc1N ZINC000110641497 194345082 /nfs/dbraw/zinc/34/50/82/194345082.db2.gz GMIKHPJKJWRDMN-VIFPVBQESA-N 1 0 303.328 2.397 10 0 DEAERO CCC[NH2+][C@@H](C)c1sc(N2CCNC(=O)[C@@H]2CC)nc1C ZINC000110688867 194350788 /nfs/dbraw/zinc/35/07/88/194350788.db2.gz FTNKBLVOKXVCIA-JQWIXIFHSA-N 1 0 310.467 2.227 10 0 DEAERO CC(C)[NH2+]CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000054268016 183932463 /nfs/dbraw/zinc/93/24/63/183932463.db2.gz WYCAYNGVRWODSF-UHFFFAOYSA-N 1 0 311.179 2.043 10 0 DEAERO COc1ccc(Br)c(-c2nc(C[C@@H](C)[NH3+])no2)c1 ZINC000054161492 183927369 /nfs/dbraw/zinc/92/73/69/183927369.db2.gz TXOXQKMDHCZOAX-SSDOTTSWSA-N 1 0 312.167 2.397 10 0 DEAERO CN(C(=O)c1cc(F)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000110927389 194370446 /nfs/dbraw/zinc/37/04/46/194370446.db2.gz HNHJRSOWBYCTLZ-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO CCC[NH2+]Cc1cnc(N(CCOC)[C@H](C)COC)s1 ZINC000054908563 183954374 /nfs/dbraw/zinc/95/43/74/183954374.db2.gz QCPJFXPCIWPEFL-GFCCVEGCSA-N 1 0 301.456 2.130 10 0 DEAERO CCOCCN(CC)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000111117268 194391819 /nfs/dbraw/zinc/39/18/19/194391819.db2.gz LYBDZKBRTTXPIX-ZDUSSCGKSA-N 1 0 314.813 2.427 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(Cl)c(N)c1)N(C)CCC[NH+](C)C ZINC000111131646 194393988 /nfs/dbraw/zinc/39/39/88/194393988.db2.gz BNMWVJUBJCMMNH-NSHDSACASA-N 1 0 312.845 2.133 10 0 DEAERO O[C@@H](C[NH2+]CC1CCOCC1)c1cccc(Br)c1 ZINC000111161761 194397732 /nfs/dbraw/zinc/39/77/32/194397732.db2.gz KRVXTGMFRSVNEN-AWEZNQCLSA-N 1 0 314.223 2.499 10 0 DEAERO CC(C)OCCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057202830 184029469 /nfs/dbraw/zinc/02/94/69/184029469.db2.gz BYVUJAKNBATDQI-KRWDZBQOSA-N 1 0 321.465 2.274 10 0 DEAERO CC[NH+](CC)CCNC(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000057337509 184033909 /nfs/dbraw/zinc/03/39/09/184033909.db2.gz IUUAKKRQSZLBST-HNNXBMFYSA-N 1 0 318.465 2.251 10 0 DEAERO O=C(c1cncc(Br)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000060079445 184144146 /nfs/dbraw/zinc/14/41/46/184144146.db2.gz PDQSAMQRBRVFKL-CYBMUJFWSA-N 1 0 324.222 2.154 10 0 DEAERO [NH3+]Cc1cccc(S(=O)(=O)Nc2cc(F)cc(F)c2F)c1 ZINC000061118191 184162464 /nfs/dbraw/zinc/16/24/64/184162464.db2.gz NXNXVDIDGIPTIV-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000061290090 184167508 /nfs/dbraw/zinc/16/75/08/184167508.db2.gz JINKHTCEJVLFLE-UHFFFAOYSA-N 1 0 311.813 2.368 10 0 DEAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000061318692 184168152 /nfs/dbraw/zinc/16/81/52/184168152.db2.gz NHQJXYRHTIELIF-UHFFFAOYSA-N 1 0 304.312 2.242 10 0 DEAERO CC[NH2+][C@H](CC)c1nnc(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000061512218 184172013 /nfs/dbraw/zinc/17/20/13/184172013.db2.gz YWHQKYLSZVRHBH-GFCCVEGCSA-N 1 0 309.391 2.201 10 0 DEAERO CC(C)CN(CC[NH+](C)C)c1nc(Cl)nc(OC(C)C)n1 ZINC000061540454 184173421 /nfs/dbraw/zinc/17/34/21/184173421.db2.gz SENXRITZQFFHMZ-UHFFFAOYSA-N 1 0 315.849 2.336 10 0 DEAERO CCN(CC)c1nc(Cl)nc(NCCCC[NH+](C)C)n1 ZINC000061541534 184174212 /nfs/dbraw/zinc/17/42/12/184174212.db2.gz PTZIWQJOSZSTPJ-UHFFFAOYSA-N 1 0 300.838 2.125 10 0 DEAERO CCCOc1nc(Cl)nc(N[C@H](C)C[NH+](CC)CC)n1 ZINC000061541585 184174301 /nfs/dbraw/zinc/17/43/01/184174301.db2.gz INPUMCCQONWPKM-SNVBAGLBSA-N 1 0 301.822 2.456 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1cccc(Cl)c1 ZINC000061592736 184175604 /nfs/dbraw/zinc/17/56/04/184175604.db2.gz ZJWLHDJDXDAWHH-MNOVXSKESA-N 1 0 312.826 2.333 10 0 DEAERO CC(C)n1c(S[C@H](c2cccc(F)c2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595258 184176566 /nfs/dbraw/zinc/17/65/66/184176566.db2.gz NCWJBJMEZNPIEB-SKDRFNHKSA-N 1 0 310.398 2.472 10 0 DEAERO CCCn1c(S[C@H](c2ccccc2F)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594950 184176592 /nfs/dbraw/zinc/17/65/92/184176592.db2.gz CFRYGBWBUZZMRO-SKDRFNHKSA-N 1 0 310.398 2.301 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C(C)C)c1cccnc1 ZINC000061595270 184176719 /nfs/dbraw/zinc/17/67/19/184176719.db2.gz FDKYDTMVRTXFSQ-VXGBXAGGSA-N 1 0 307.423 2.118 10 0 DEAERO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(N)cc2Cl)CCCO1 ZINC000061912798 184195194 /nfs/dbraw/zinc/19/51/94/184195194.db2.gz UCFKQPKOUDKKDL-LLVKDONJSA-N 1 0 311.813 2.362 10 0 DEAERO CC[NH2+][C@H]1CCCCC[C@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941254 184197249 /nfs/dbraw/zinc/19/72/49/184197249.db2.gz VYQLEKFOILSDKG-UONOGXRCSA-N 1 0 307.404 2.477 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CCN(CC(F)(F)F)CC1 ZINC000061940812 184197352 /nfs/dbraw/zinc/19/73/52/184197352.db2.gz XIHDFPNLJCJDIR-YPMHNXCESA-N 1 0 305.344 2.238 10 0 DEAERO CC[NH2+][C@@H](C)c1cnc(N2CCN(CC(F)(F)F)CC2)s1 ZINC000061948524 184197756 /nfs/dbraw/zinc/19/77/56/184197756.db2.gz HDZRMYRTHJGMSM-JTQLQIEISA-N 1 0 322.400 2.498 10 0 DEAERO C[C@H](c1cccc(Cl)c1)N(C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014484 184201117 /nfs/dbraw/zinc/20/11/17/184201117.db2.gz NLGJTYCCKDIKST-CYBMUJFWSA-N 1 0 309.841 2.155 10 0 DEAERO CCN[C@@](C)(CCCC[N@H+](C)CCCOC)C(=O)OCC ZINC000062034977 184202703 /nfs/dbraw/zinc/20/27/03/184202703.db2.gz QVHFIVSWKOKOGB-INIZCTEOSA-N 1 0 302.459 2.056 10 0 DEAERO CCN[C@](C)(CCCC[N@H+](C)CCCOC)C(=O)OCC ZINC000062034978 184202930 /nfs/dbraw/zinc/20/29/30/184202930.db2.gz QVHFIVSWKOKOGB-MRXNPFEDSA-N 1 0 302.459 2.056 10 0 DEAERO CC(C)Oc1nc(Cl)nc(NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000062076724 184204542 /nfs/dbraw/zinc/20/45/42/184204542.db2.gz GAFXKMOPGKMJOM-LLVKDONJSA-N 1 0 313.833 2.456 10 0 DEAERO COCCC[NH+]1[C@@H](C)CN(C(=O)NC2CCCCC2)C[C@@H]1C ZINC000062090829 184205354 /nfs/dbraw/zinc/20/53/54/184205354.db2.gz KZEHGACTMQQSEY-GJZGRUSLSA-N 1 0 311.470 2.460 10 0 DEAERO CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062116171 184206570 /nfs/dbraw/zinc/20/65/70/184206570.db2.gz LSNUBRFWFGIOJW-JTQLQIEISA-N 1 0 308.403 2.350 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)Nc1nncs1)c1ccco1 ZINC000062429115 184235905 /nfs/dbraw/zinc/23/59/05/184235905.db2.gz MAMHWDZBRNGTEH-SNVBAGLBSA-N 1 0 309.395 2.336 10 0 DEAERO CC[NH2+][C@H]1CCCc2nc(N(C)Cc3nccn3C)sc21 ZINC000062327836 184230909 /nfs/dbraw/zinc/23/09/09/184230909.db2.gz ICYBFMBBQXAQEO-NSHDSACASA-N 1 0 305.451 2.500 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H]1CCS(=O)(=O)C1 ZINC000062746695 184251831 /nfs/dbraw/zinc/25/18/31/184251831.db2.gz DUDKALOEFQQUFK-ZYHUDNBSSA-N 1 0 301.383 2.062 10 0 DEAERO CCC[NH2+][C@H]1CCc2c1cccc2OCCS(=O)(=O)CC ZINC000062799953 184253600 /nfs/dbraw/zinc/25/36/00/184253600.db2.gz KRZUVPQDYDKTKM-HNNXBMFYSA-N 1 0 311.447 2.487 10 0 DEAERO CC[C@@]1(C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)CC[NH2+]C1 ZINC000062894242 184259062 /nfs/dbraw/zinc/25/90/62/184259062.db2.gz WACUNZQUEPFTOC-OAHLLOKOSA-N 1 0 309.797 2.028 10 0 DEAERO [NH3+]CCc1ccc(OC[C@@H]2CCOC2)c(Br)c1 ZINC000062703876 184248065 /nfs/dbraw/zinc/24/80/65/184248065.db2.gz GDYNCXONQZJFFW-LLVKDONJSA-N 1 0 300.196 2.366 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000063213337 184278368 /nfs/dbraw/zinc/27/83/68/184278368.db2.gz SLFPQXLHEASMNM-NEPJUHHUSA-N 1 0 320.817 2.417 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(N)c(Cl)c(Cl)c2)C1 ZINC000062964320 184262771 /nfs/dbraw/zinc/26/27/71/184262771.db2.gz GZIQRKLLAWSWEI-VIFPVBQESA-N 1 0 302.205 2.352 10 0 DEAERO C[NH+](C)[C@H]1CCN(CCOc2cccc(Br)c2)C1 ZINC000062967771 184263437 /nfs/dbraw/zinc/26/34/37/184263437.db2.gz KOXXCYQPGVBFPK-ZDUSSCGKSA-N 1 0 313.239 2.464 10 0 DEAERO CCNc1nc(CN2CC[C@@H]([NH+](C)C)C2)nc2sccc21 ZINC000062969322 184263794 /nfs/dbraw/zinc/26/37/94/184263794.db2.gz AMHQZSLKYQEWBG-LLVKDONJSA-N 1 0 305.451 2.259 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(Cc2cc(C(N)=S)ccc2F)C1 ZINC000062980062 184264488 /nfs/dbraw/zinc/26/44/88/184264488.db2.gz CZTIGZHLEOZQME-CQSZACIVSA-N 1 0 309.454 2.376 10 0 DEAERO CC1(C)C[C@@H]([NH3+])c2ccc(OCCCS(C)(=O)=O)cc2O1 ZINC000063014435 184266675 /nfs/dbraw/zinc/26/66/75/184266675.db2.gz SMGPFPVKTOFGKS-CYBMUJFWSA-N 1 0 313.419 2.061 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])c1ccccc1Br ZINC000063017154 184267116 /nfs/dbraw/zinc/26/71/16/184267116.db2.gz BBYKTERAPCOELO-NSHDSACASA-N 1 0 306.225 2.274 10 0 DEAERO CS(=O)(=O)c1ccc(S[C@@H](C[NH3+])c2ccccn2)cc1 ZINC000063131262 184272235 /nfs/dbraw/zinc/27/22/35/184272235.db2.gz PEWVJXVOXQNXHW-AWEZNQCLSA-N 1 0 308.428 2.277 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000063168215 184275617 /nfs/dbraw/zinc/27/56/17/184275617.db2.gz HSOWRVJVRNBWAE-JTQLQIEISA-N 1 0 320.817 2.242 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000063176001 184276695 /nfs/dbraw/zinc/27/66/95/184276695.db2.gz OQSCRXDDVQMHTA-RITPCOANSA-N 1 0 315.247 2.213 10 0 DEAERO COCC[N@H+](CCCc1ccccc1)CC(=O)NC(C)(C)C ZINC000065959113 184384026 /nfs/dbraw/zinc/38/40/26/184384026.db2.gz RCCNBCWUKSZSFG-UHFFFAOYSA-N 1 0 306.450 2.482 10 0 DEAERO CCC[NH2+][C@@](C)(C[C@H](C)N(CC(F)(F)F)C(C)C)C(N)=O ZINC000068629150 184494065 /nfs/dbraw/zinc/49/40/65/184494065.db2.gz FVRACCGMNSPKBX-AAEUAGOBSA-N 1 0 311.392 2.281 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)N1CCc2sccc2[C@@H]1C1CC1 ZINC000159304641 197344203 /nfs/dbraw/zinc/34/42/03/197344203.db2.gz PQVPJUIFZQQFKN-HIFRSBDPSA-N 1 0 308.447 2.338 10 0 DEAERO CC(C)[N@H+](CC(=O)NCCN1CCc2ccccc21)C1CCC1 ZINC000119756420 195030068 /nfs/dbraw/zinc/03/00/68/195030068.db2.gz XNRFPGNZIJUZDB-UHFFFAOYSA-N 1 0 315.461 2.428 10 0 DEAERO CCC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)[NH+](C)C ZINC000119810960 195041615 /nfs/dbraw/zinc/04/16/15/195041615.db2.gz NSCJWOXPAURUMH-XHDPSFHLSA-N 1 0 303.406 2.089 10 0 DEAERO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)CC1CCCCC1 ZINC000134022732 296361050 /nfs/dbraw/zinc/36/10/50/296361050.db2.gz RNEYJIWFKAWZEZ-UKRRQHHQSA-N 1 0 302.484 2.394 10 0 DEAERO COc1ccc(C(C)(C)C(=O)N(C)CCC[NH+](C)C)cc1OC ZINC000539416288 285076696 /nfs/dbraw/zinc/07/66/96/285076696.db2.gz FVNYMXUCTAQNDV-UHFFFAOYSA-N 1 0 322.449 2.392 10 0 DEAERO [NH3+][C@H](C[S@](=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000159158995 197331757 /nfs/dbraw/zinc/33/17/57/197331757.db2.gz OBIVPDJLXBTVAJ-FRKIPOMISA-N 1 0 307.337 2.177 10 0 DEAERO CC[NH2+][C@H](CSc1nnc2n1CCCCC2)[C@H]1CCOC1 ZINC000159259173 197339788 /nfs/dbraw/zinc/33/97/88/197339788.db2.gz WWNVZFMWWSBAHP-QWHCGFSZSA-N 1 0 310.467 2.111 10 0 DEAERO CCC[C@@H](CC[NH3+])CCC(=O)NCCCCOCCOC ZINC000159248722 197339121 /nfs/dbraw/zinc/33/91/21/197339121.db2.gz MZTDNDOEPTYLDX-OAHLLOKOSA-N 1 0 302.459 2.091 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@H](C)CC[C@@H]2C)cc(C[NH3+])c1F ZINC000159123442 197328958 /nfs/dbraw/zinc/32/89/58/197328958.db2.gz MLXWINIGYZIPDA-PWSUYJOCSA-N 1 0 314.426 2.402 10 0 DEAERO CCCC[C@H](C)NS(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159105257 197327656 /nfs/dbraw/zinc/32/76/56/197327656.db2.gz ANAYQCJARQQSQU-NSHDSACASA-N 1 0 302.415 2.450 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H]3CC[C@@H]2C3)cc(C)c1F ZINC000159099351 197326451 /nfs/dbraw/zinc/32/64/51/197326451.db2.gz WVDKZFXCKUKXRL-WCQYABFASA-N 1 0 312.410 2.027 10 0 DEAERO CCO[C@H](C[NH3+])CC[S@@](=O)c1cccc(Br)c1 ZINC000158932790 197312071 /nfs/dbraw/zinc/31/20/71/197312071.db2.gz ZLRFBEWIJGUTNB-GTNSWQLSSA-N 1 0 320.252 2.311 10 0 DEAERO Cc1c(C(=O)N(C)CCC[NH+](C)C)cnn1Cc1ccccc1 ZINC000540517444 285119878 /nfs/dbraw/zinc/11/98/78/285119878.db2.gz TZPMLNOXJVRPOH-UHFFFAOYSA-N 1 0 314.433 2.264 10 0 DEAERO [NH3+][C@H](c1ccc2c3c(cccc31)CC2)[C@H]1CCS(=O)(=O)C1 ZINC000158780556 197301170 /nfs/dbraw/zinc/30/11/70/197301170.db2.gz BJABGPNOWXBLKX-GUYCJALGSA-N 1 0 301.411 2.373 10 0 DEAERO CCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1C[NH3+] ZINC000158756746 197299407 /nfs/dbraw/zinc/29/94/07/197299407.db2.gz CJYZZWULWDMROO-OKILXGFUSA-N 1 0 308.447 2.128 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)Cc1ccccc1)[C@H]1CCOC1 ZINC000158755897 197299281 /nfs/dbraw/zinc/29/92/81/197299281.db2.gz MFRMZJVXMPQZNP-JKSUJKDBSA-N 1 0 311.447 2.006 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@H]2CCCOC2)CC1 ZINC000540937015 285141688 /nfs/dbraw/zinc/14/16/88/285141688.db2.gz MSMGMWHSBRKVNO-HOCLYGCPSA-N 1 0 311.470 2.223 10 0 DEAERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCOCC1CCC1 ZINC000557993833 291881474 /nfs/dbraw/zinc/88/14/74/291881474.db2.gz JOGIARHXIYJBGK-GDBMZVCRSA-N 1 0 309.454 2.071 10 0 DEAERO CCn1ncc(Br)c1[C@@H](O)CC[NH+](CC)CC ZINC000157688427 197208070 /nfs/dbraw/zinc/20/80/70/197208070.db2.gz JUDRLGPHRQTVJS-NSHDSACASA-N 1 0 304.232 2.431 10 0 DEAERO CCC(C)(C)C1CCC(O)([C@]2(C[NH3+])CCS(=O)(=O)C2)CC1 ZINC000157666024 197205379 /nfs/dbraw/zinc/20/53/79/197205379.db2.gz QAOXOOAKSQYMAC-SIWZUTFBSA-N 1 0 317.495 2.108 10 0 DEAERO CCOC(=O)[C@](C)(CC[N@H+](C)CCOC(C)C)NC(C)C ZINC000157508957 197192727 /nfs/dbraw/zinc/19/27/27/197192727.db2.gz LYXJRPVEWRAZIJ-INIZCTEOSA-N 1 0 302.459 2.053 10 0 DEAERO CCc1nn(C)c(C[C@](C)(F)C[C@H]2COCC[NH2+]2)c1Cl ZINC000157546214 197196672 /nfs/dbraw/zinc/19/66/72/197196672.db2.gz CETXVUHYOSOKHD-IINYFYTJSA-N 1 0 303.809 2.285 10 0 DEAERO [NH3+]Cc1cccc(-c2csc([C@@H]3CCS(=O)(=O)C3)n2)c1 ZINC000157549403 197196705 /nfs/dbraw/zinc/19/67/05/197196705.db2.gz QLMOQGIQSXDEFK-GFCCVEGCSA-N 1 0 308.428 2.171 10 0 DEAERO C[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N1C[C@H](C)C[C@@H]1C ZINC000157416004 197185223 /nfs/dbraw/zinc/18/52/23/197185223.db2.gz OJWUIFBDSKTJKE-ZJUUUORDSA-N 1 0 300.424 2.035 10 0 DEAERO CCC[NH2+]Cc1ccc(F)c(S(=O)(=O)N(C)CC(F)F)c1 ZINC000157160401 197166783 /nfs/dbraw/zinc/16/67/83/197166783.db2.gz LVMORIWBTYOLMD-UHFFFAOYSA-N 1 0 324.368 2.211 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)c2nnc(Cl)s2)CC1 ZINC000157226555 197171103 /nfs/dbraw/zinc/17/11/03/197171103.db2.gz BWTAYXNFRNPPMX-UHFFFAOYSA-N 1 0 316.858 2.386 10 0 DEAERO Cc1nc(CNC(=O)N(C)CCC[NH+](C)C)nc2ccccc12 ZINC000541823558 285187005 /nfs/dbraw/zinc/18/70/05/285187005.db2.gz YNCGTRVIOBSABH-UHFFFAOYSA-N 1 0 315.421 2.031 10 0 DEAERO CC[N@H+](C)CCNC(=O)c1sc2cc(C)nc(C)c2c1N ZINC000157020416 197156151 /nfs/dbraw/zinc/15/61/51/197156151.db2.gz URGJTZMHVSKVSI-UHFFFAOYSA-N 1 0 306.435 2.177 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)[C@H](C)[C@@H](C)[NH3+])CCCC2 ZINC000156825327 197142716 /nfs/dbraw/zinc/14/27/16/197142716.db2.gz GXPFNYWUMAAQPF-RKDXNWHRSA-N 1 0 310.419 2.335 10 0 DEAERO C[C@](O)(Cc1ccccc1Br)C[C@H]1COCC[NH2+]1 ZINC000156803220 197142353 /nfs/dbraw/zinc/14/23/53/197142353.db2.gz MOLLLXGQRMEHAS-JSGCOSHPSA-N 1 0 314.223 2.121 10 0 DEAERO CC(C)[C@H]([NH3+])CCN(C)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000156688103 197133051 /nfs/dbraw/zinc/13/30/51/197133051.db2.gz KBWYEKXSLRWHSV-HUUCEWRRSA-N 1 0 310.463 2.210 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000156283199 197101155 /nfs/dbraw/zinc/10/11/55/197101155.db2.gz NYYIPMOXPDLEPX-NWDGAFQWSA-N 1 0 310.442 2.252 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccc(C(N)=O)c(C(F)(F)F)c1 ZINC000156232050 197097285 /nfs/dbraw/zinc/09/72/85/197097285.db2.gz QUNCAMWJKOJDKW-BDAKNGLRSA-N 1 0 301.312 2.120 10 0 DEAERO COc1ccccc1CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000156176612 197092533 /nfs/dbraw/zinc/09/25/33/197092533.db2.gz LLFOSLQHMCZFNP-ZBFHGGJFSA-N 1 0 319.449 2.266 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)C[S@@](=O)Cc2ccccc2)cc1 ZINC000155960396 197077140 /nfs/dbraw/zinc/07/71/40/197077140.db2.gz FFMLPDFLPAHXCL-OAQYLSRUSA-N 1 0 302.399 2.033 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C[C@H]1OCCc2ccccc21 ZINC000155426244 197054515 /nfs/dbraw/zinc/05/45/15/197054515.db2.gz KUDQTJQPCXHRBD-JKIFEVAISA-N 1 0 302.418 2.242 10 0 DEAERO COc1cc(N[C@H]2CCC[N@H+](CC(C)(C)O)C2)cc(OC)c1 ZINC000155138526 197025105 /nfs/dbraw/zinc/02/51/05/197025105.db2.gz VFSCBPWCVBSTCG-ZDUSSCGKSA-N 1 0 308.422 2.351 10 0 DEAERO OCC1([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000120386810 195155618 /nfs/dbraw/zinc/15/56/18/195155618.db2.gz KHRIUBBSSHKSOH-UHFFFAOYSA-N 1 0 322.206 2.454 10 0 DEAERO CC(=O)N1CCC([NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000543248884 285275569 /nfs/dbraw/zinc/27/55/69/285275569.db2.gz GQKAELGFWZULFL-UHFFFAOYSA-N 1 0 304.419 2.034 10 0 DEAERO Cc1ccc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000120755555 195230883 /nfs/dbraw/zinc/23/08/83/195230883.db2.gz LQBXBTSGKVXHRK-HUUCEWRRSA-N 1 0 317.433 2.183 10 0 DEAERO CCO[C@@H]1CO[C@]2(CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000248318817 257107238 /nfs/dbraw/zinc/10/72/38/257107238.db2.gz PBDYWGMERLXKOP-ZWKOTPCHSA-N 1 0 321.417 2.474 10 0 DEAERO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)cc1 ZINC000248121789 257108460 /nfs/dbraw/zinc/10/84/60/257108460.db2.gz KJVNTSZPVSIEKS-SJORKVTESA-N 1 0 310.401 2.108 10 0 DEAERO CC[N@@H+]1C[C@@H](COC)[C@@]2(CCN(Cc3cccc(C)n3)C2)C1 ZINC000247890011 257115488 /nfs/dbraw/zinc/11/54/88/257115488.db2.gz VDFBRPWJUZCKEE-WMZOPIPTSA-N 1 0 303.450 2.180 10 0 DEAERO Cc1ccnc(OC[C@]23CCO[C@H]2CC[N@H+](CC2CC2)C3)n1 ZINC000253479184 257105547 /nfs/dbraw/zinc/10/55/47/257105547.db2.gz PCWYISNTVDPUCK-DOTOQJQBSA-N 1 0 303.406 2.055 10 0 DEAERO CC[NH+](CC)[C@@H]1CCO[C@@]2(CCN(c3ncc(F)cn3)C2)C1 ZINC000503715758 257209272 /nfs/dbraw/zinc/20/92/72/257209272.db2.gz ASYWZJWGNDAVCL-ZBFHGGJFSA-N 1 0 308.401 2.085 10 0 DEAERO CC[C@H]1CN(Cc2ccccc2NC(C)=O)CC[N@@H+]1CCOC ZINC000120968313 195273244 /nfs/dbraw/zinc/27/32/44/195273244.db2.gz LQVUIAGWNRAXDL-KRWDZBQOSA-N 1 0 319.449 2.188 10 0 DEAERO COc1ccccc1C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000121589381 195311295 /nfs/dbraw/zinc/31/12/95/195311295.db2.gz PBMGDGQVIMAYJX-UHFFFAOYSA-N 1 0 314.433 2.137 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1F ZINC000121825918 195355299 /nfs/dbraw/zinc/35/52/99/195355299.db2.gz ZBMCOPOVVFEYDK-CQSZACIVSA-N 1 0 323.412 2.165 10 0 DEAERO CCc1ccccc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000121869259 195365692 /nfs/dbraw/zinc/36/56/92/195365692.db2.gz OBYCFXIGFQSXHS-OAHLLOKOSA-N 1 0 319.449 2.280 10 0 DEAERO CCCCOc1ncccc1CNC(=O)N(C)CCC[NH+](C)C ZINC000544675868 285367072 /nfs/dbraw/zinc/36/70/72/285367072.db2.gz ZVSLJASHHXNECB-UHFFFAOYSA-N 1 0 322.453 2.354 10 0 DEAERO Cc1cc(C[C@@H](C)[NH3+])nc(-c2ncccc2Br)n1 ZINC000122043178 195394610 /nfs/dbraw/zinc/39/46/10/195394610.db2.gz ZNLUZPNJBUEYSO-MRVPVSSYSA-N 1 0 307.195 2.499 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCOc2ccccc21)C(C)(C)S(C)(=O)=O ZINC000123057820 195539472 /nfs/dbraw/zinc/53/94/72/195539472.db2.gz UZJXDBRRDRJQLD-WFASDCNBSA-N 1 0 311.447 2.354 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)CCc2nccs2)C1 ZINC000123243394 195560192 /nfs/dbraw/zinc/56/01/92/195560192.db2.gz CBNXIDIDQPWHPC-OLZOCXBDSA-N 1 0 310.467 2.056 10 0 DEAERO C[NH2+][C@@]1(CO)CC[C@@H](Sc2ccc3c(c2)OCCCO3)C1 ZINC000124668637 195666358 /nfs/dbraw/zinc/66/63/58/195666358.db2.gz JLOFPPUWBRWNAR-CJNGLKHVSA-N 1 0 309.431 2.443 10 0 DEAERO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000124364674 195632787 /nfs/dbraw/zinc/63/27/87/195632787.db2.gz BYQOCIVKWJEWGE-HONMWMINSA-N 1 0 323.234 2.373 10 0 DEAERO CCCc1nnsc1C(=O)NCC[C@H]([NH3+])c1ccccc1 ZINC000124543379 195652011 /nfs/dbraw/zinc/65/20/11/195652011.db2.gz CKYOGIPUZILVQG-LBPRGKRZSA-N 1 0 304.419 2.311 10 0 DEAERO CC[C@@H]1N[C@H](c2cccs2)N(CCC[NH+]2CCCC2)C1=O ZINC000125019988 195704184 /nfs/dbraw/zinc/70/41/84/195704184.db2.gz CXENYPCCTXIUSJ-ZFWWWQNUSA-N 1 0 307.463 2.443 10 0 DEAERO CCc1cnc([C@@H](C)NC(=O)c2cc(C)[nH+]c(NN)c2)s1 ZINC000125714430 195779352 /nfs/dbraw/zinc/77/93/52/195779352.db2.gz VJIAEWBFPIEEGK-SECBINFHSA-N 1 0 305.407 2.186 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1OC ZINC000125755036 195782959 /nfs/dbraw/zinc/78/29/59/195782959.db2.gz NGIUHTDSFQSFAT-CXAGYDPISA-N 1 0 309.406 2.144 10 0 DEAERO COC[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000262318238 285383902 /nfs/dbraw/zinc/38/39/02/285383902.db2.gz CLUYELKRUKSYIE-ROUUACIJSA-N 1 0 310.397 2.134 10 0 DEAERO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000127631186 195895585 /nfs/dbraw/zinc/89/55/85/195895585.db2.gz 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CCN(C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCOC1 ZINC000362017360 133205278 /nfs/dbraw/zinc/20/52/78/133205278.db2.gz UKXKNLUQCFQUJQ-HZPDHXFCSA-N 1 0 309.454 2.071 10 0 DEAERO Cc1cc(C)c(CNC(=O)c2ccccc2C[NH+](C)C)c(=O)[nH]1 ZINC000362485282 133232757 /nfs/dbraw/zinc/23/27/57/133232757.db2.gz GSBDTGLRSSLROL-UHFFFAOYSA-N 1 0 313.401 2.396 10 0 DEAERO COCCO[C@H]1COCC[C@@H]1[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000362513324 133234900 /nfs/dbraw/zinc/23/49/00/133234900.db2.gz UYHYSIIOXGWKJF-KXIUCKCTSA-N 1 0 323.408 2.482 10 0 DEAERO COc1ccc2c(c1)[C@](O)(C[NH2+]Cc1[nH]ncc1C)CCC2 ZINC000368082581 133259441 /nfs/dbraw/zinc/25/94/41/133259441.db2.gz WZHWKSJRJABZOS-QGZVFWFLSA-N 1 0 301.390 2.040 10 0 DEAERO Cc1ccnc(C2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)n1 ZINC000368224061 133265470 /nfs/dbraw/zinc/26/54/70/133265470.db2.gz VVYOQPJPMWCCDE-ZDUSSCGKSA-N 1 0 304.438 2.268 10 0 DEAERO Cc1ccccc1-n1cc(CN2CCC[C@@H](c3nnc[nH]3)C2)nn1 ZINC000377623714 133337889 /nfs/dbraw/zinc/33/78/89/133337889.db2.gz KEBQUVRPSKQAIK-CQSZACIVSA-N 1 0 323.404 2.073 10 0 DEAERO COc1ccccc1CCNC(=O)C[N@@H+]1CCCC12CCC2 ZINC000373095940 133377441 /nfs/dbraw/zinc/37/74/41/133377441.db2.gz VSCGOXFOQVOPIQ-UHFFFAOYSA-N 1 0 302.418 2.372 10 0 DEAERO C[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)C[C@@]2(CCOC2)O1 ZINC000373488933 133392617 /nfs/dbraw/zinc/39/26/17/133392617.db2.gz IVFIFOOYJRUQKE-MLGOLLRUSA-N 1 0 303.362 2.050 10 0 DEAERO O=C(CC1OCCCO1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373535831 133394736 /nfs/dbraw/zinc/39/47/36/133394736.db2.gz MVAMELPKDYRCBJ-INIZCTEOSA-N 1 0 324.465 2.254 10 0 DEAERO CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000373649179 133398999 /nfs/dbraw/zinc/39/89/99/133398999.db2.gz MLNLYFZUPPJMTK-OUJBWJOFSA-N 1 0 301.383 2.057 10 0 DEAERO c1nc2n(n1)C[C@H]([NH2+][C@H]1CSCCc3ccccc31)CC2 ZINC000180604509 285584315 /nfs/dbraw/zinc/58/43/15/285584315.db2.gz FFODRLSVRDRCNM-HIFRSBDPSA-N 1 0 300.431 2.213 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccc(-c2cncnc2)cc1F ZINC000548164973 285697489 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CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cn3ccnc3s2)C1 ZINC000188584712 145013826 /nfs/dbraw/zinc/01/38/26/145013826.db2.gz RYDMHEFFVNMJOZ-GFCCVEGCSA-N 1 0 306.435 2.200 10 0 DEAERO Cn1cc(C(=O)N2CC[NH+]3CCC2CC3)c(-c2ccccc2)n1 ZINC000188855896 145018604 /nfs/dbraw/zinc/01/86/04/145018604.db2.gz XMEAHWUFOLXPKC-UHFFFAOYSA-N 1 0 310.401 2.007 10 0 DEAERO Cc1nn(C)cc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000188893568 145019036 /nfs/dbraw/zinc/01/90/36/145019036.db2.gz XIIJRZVEAXKVJS-AWEZNQCLSA-N 1 0 305.426 2.068 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]nnc1-c1ccccc1 ZINC000189107852 145022622 /nfs/dbraw/zinc/02/26/22/145022622.db2.gz VQFNEDWRVWMRNW-CYBMUJFWSA-N 1 0 313.405 2.076 10 0 DEAERO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCCNC(=O)[C@H]3C)cc2)n1 ZINC000189294410 145024869 /nfs/dbraw/zinc/02/48/69/145024869.db2.gz WZXVGELZYBDHQD-OAHLLOKOSA-N 1 0 312.417 2.200 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2snnc2C(C)(C)C)C1 ZINC000189460018 145027262 /nfs/dbraw/zinc/02/72/62/145027262.db2.gz BVWXXWOTPBYZJF-LLVKDONJSA-N 1 0 310.467 2.249 10 0 DEAERO O[C@@H](CC1CCCC1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000190608101 145045060 /nfs/dbraw/zinc/04/50/60/145045060.db2.gz NVOCNBZPDYUOLD-MSOLQXFVSA-N 1 0 310.482 2.114 10 0 DEAERO C[C@@H](Oc1cccc(F)c1)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190737820 145047057 /nfs/dbraw/zinc/04/70/57/145047057.db2.gz ZUDHOADHNSWDCB-TZMCWYRMSA-N 1 0 306.381 2.336 10 0 DEAERO CCn1cc([C@@H]2CN(CCOc3ccccc3F)CCO2)cn1 ZINC000190742820 145047112 /nfs/dbraw/zinc/04/71/12/145047112.db2.gz PEUOWGOKRKQYLZ-KRWDZBQOSA-N 1 0 319.380 2.494 10 0 DEAERO O[C@@H](C[NH+]1CCN(Cc2cccnc2)CC1)C1CCCCC1 ZINC000190985044 145051214 /nfs/dbraw/zinc/05/12/14/145051214.db2.gz FDJGOUNDTIMXAB-SFHVURJKSA-N 1 0 303.450 2.140 10 0 DEAERO CSC1(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000191055226 145052221 /nfs/dbraw/zinc/05/22/21/145052221.db2.gz LEQJYNRFJSSOGK-HNNXBMFYSA-N 1 0 319.474 2.258 10 0 DEAERO CCC[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)CCN1CCOC ZINC000191028802 145052565 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C[C@H]1CN(CC[NH+]2CCC(Nc3ccccc3F)CC2)CCO1 ZINC000192770764 145079066 /nfs/dbraw/zinc/07/90/66/145079066.db2.gz BHHSCVVQFNQXMR-HNNXBMFYSA-N 1 0 321.440 2.423 10 0 DEAERO COc1ccnc(NC2CC[NH+](Cc3cncc(C)c3)CC2)n1 ZINC000192858105 145079961 /nfs/dbraw/zinc/07/99/61/145079961.db2.gz AKBOCHRVITYMGO-UHFFFAOYSA-N 1 0 313.405 2.265 10 0 DEAERO CCn1cnnc1C1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000193051296 145081403 /nfs/dbraw/zinc/08/14/03/145081403.db2.gz JBGBJTAPKOEWRA-OAHLLOKOSA-N 1 0 308.426 2.021 10 0 DEAERO Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193609552 145087636 /nfs/dbraw/zinc/08/76/36/145087636.db2.gz LUVOKOVEDIYLIU-MELADBBJSA-N 1 0 321.852 2.469 10 0 DEAERO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193634614 145088003 /nfs/dbraw/zinc/08/80/03/145088003.db2.gz ORBFJJFBCXXXBN-TWMKSMIVSA-N 1 0 315.461 2.054 10 0 DEAERO Cc1ccc(NC(=O)[C@@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1C ZINC000193620334 145088132 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C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccn1 ZINC000248392297 145152549 /nfs/dbraw/zinc/15/25/49/145152549.db2.gz KEFWERQRCYYIJA-MAUKXSAKSA-N 1 0 324.428 2.401 10 0 DEAERO CC[C@@H]1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCO1 ZINC000248567649 145159488 /nfs/dbraw/zinc/15/94/88/145159488.db2.gz NQMLFSCCIGCSNR-RCCFBDPRSA-N 1 0 318.461 2.481 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248599341 145160815 /nfs/dbraw/zinc/16/08/15/145160815.db2.gz NKBGSOIUYTWVAQ-HLLBOEOZSA-N 1 0 304.434 2.499 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCO[C@H]2C)c2ccc(F)cc2C1 ZINC000248689149 145163802 /nfs/dbraw/zinc/16/38/02/145163802.db2.gz AEVRSZWYXBKLKU-GOPGUHFVSA-N 1 0 306.381 2.386 10 0 DEAERO Cc1cc2c(cc1C)[C@@H](C(=O)N1CC[N@@H+]3CCC[C@H]3C1)CO2 ZINC000248679315 145163865 /nfs/dbraw/zinc/16/38/65/145163865.db2.gz DYPUKQQRGKEOEE-HOCLYGCPSA-N 1 0 300.402 2.086 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)on3)C[C@H]12 ZINC000248702541 145164341 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CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cn1 ZINC000248842467 145170233 /nfs/dbraw/zinc/17/02/33/145170233.db2.gz LYPOJXYZRPDLQT-MRXNPFEDSA-N 1 0 314.437 2.041 10 0 DEAERO NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248879056 145171717 /nfs/dbraw/zinc/17/17/17/145171717.db2.gz NPDOBMPNFGCWJD-CWRNSKLLSA-N 1 0 322.836 2.237 10 0 DEAERO OC[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1c1ccsc1 ZINC000249291235 145182345 /nfs/dbraw/zinc/18/23/45/145182345.db2.gz MLBHCSRYNGZJRI-SDDRHHMPSA-N 1 0 309.353 2.069 10 0 DEAERO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000249387086 145183309 /nfs/dbraw/zinc/18/33/09/145183309.db2.gz XBQAUXDYFFCJHB-DFBGVHRSSA-N 1 0 308.809 2.460 10 0 DEAERO CSC[C@H](O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000249468644 145184774 /nfs/dbraw/zinc/18/47/74/145184774.db2.gz RFSIFPLIAGPBOT-JHJVBQTASA-N 1 0 301.477 2.360 10 0 DEAERO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)[C@@H](CO)CC(C)C)c1 ZINC000249470483 145184884 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CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H](CO)CC(C)C ZINC000253191060 145201370 /nfs/dbraw/zinc/20/13/70/145201370.db2.gz UFUHOSMDJHJDAW-JKSUJKDBSA-N 1 0 313.486 2.299 10 0 DEAERO CC[C@@H]1CN(C/C=C\c2ccccc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000255030229 145203038 /nfs/dbraw/zinc/20/30/38/145203038.db2.gz BBAASKIBXDFEQK-OWUNDVQQSA-N 1 0 318.461 2.485 10 0 DEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261547804 145207250 /nfs/dbraw/zinc/20/72/50/145207250.db2.gz MTVIRHDNXHLMLW-NVXWUHKLSA-N 1 0 317.477 2.401 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000261567974 145208436 /nfs/dbraw/zinc/20/84/36/145208436.db2.gz IYOJFPXGEMHESO-LBPRGKRZSA-N 1 0 302.827 2.088 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261630680 145212108 /nfs/dbraw/zinc/21/21/08/145212108.db2.gz CXBNIVAUAZDRFS-WBMJQRKESA-N 1 0 317.433 2.275 10 0 DEAERO CC1(C)C[N@H+](CCc2nc(-c3ccccc3)no2)CC[C@H]1[NH3+] ZINC000261638541 145212627 /nfs/dbraw/zinc/21/26/27/145212627.db2.gz DHAPKLUDXKXGMT-CQSZACIVSA-N 1 0 300.406 2.338 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCc1ccc(F)cc1 ZINC000261649031 145213410 /nfs/dbraw/zinc/21/34/10/145213410.db2.gz FNNXFSCOIRRICK-RKVPGOIHSA-N 1 0 320.408 2.017 10 0 DEAERO Cc1cccc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1Cl ZINC000261649305 145213472 /nfs/dbraw/zinc/21/34/72/145213472.db2.gz DZYWDHBYUTVMQJ-LBPRGKRZSA-N 1 0 316.854 2.396 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000261682079 145216320 /nfs/dbraw/zinc/21/63/20/145216320.db2.gz HVTGCAYSPMXEKI-VXGBXAGGSA-N 1 0 317.364 2.219 10 0 DEAERO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000261709388 145219243 /nfs/dbraw/zinc/21/92/43/145219243.db2.gz DKQHTQLZHICHTC-BFHYXJOUSA-N 1 0 323.234 2.421 10 0 DEAERO CC(C)CO[C@@H](C)c1noc(CN2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261728582 145220639 /nfs/dbraw/zinc/22/06/39/145220639.db2.gz OBPWGPYSNUZRQV-STQMWFEESA-N 1 0 310.442 2.362 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000261769436 145223967 /nfs/dbraw/zinc/22/39/67/145223967.db2.gz RYQWERUREYCCJX-GFCCVEGCSA-N 1 0 320.817 2.227 10 0 DEAERO CCOCCOc1ccccc1-c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000261783754 145225749 /nfs/dbraw/zinc/22/57/49/145225749.db2.gz OAEWXNSOQKANBV-GFCCVEGCSA-N 1 0 305.378 2.302 10 0 DEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261789246 145226884 /nfs/dbraw/zinc/22/68/84/145226884.db2.gz QBBQGIKNLXWUDA-ZACQAIPSSA-N 1 0 304.434 2.252 10 0 DEAERO CC(C)c1nc([C@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]2C[NH3+])no1 ZINC000261821428 145230719 /nfs/dbraw/zinc/23/07/19/145230719.db2.gz SSDCJZJNYKQLPA-JHJVBQTASA-N 1 0 306.410 2.232 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)Cc1ccc(-n2ccnc2)nc1 ZINC000261825724 145230983 /nfs/dbraw/zinc/23/09/83/145230983.db2.gz UYUMUTOVQCXFEY-UHFFFAOYSA-N 1 0 321.428 2.271 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(-n2ccnc2)c1 ZINC000261836521 145231752 /nfs/dbraw/zinc/23/17/52/145231752.db2.gz PEEXBOUCKFGMTH-FRFSOERESA-N 1 0 312.417 2.425 10 0 DEAERO COc1cccc(Cl)c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261838337 145232495 /nfs/dbraw/zinc/23/24/95/145232495.db2.gz PIGHKMHCPGNCAU-TXEJJXNPSA-N 1 0 308.809 2.420 10 0 DEAERO CCc1ccccc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261845438 145233120 /nfs/dbraw/zinc/23/31/20/145233120.db2.gz IYZVNUXTWQSIEZ-FRQCXROJSA-N 1 0 316.445 2.398 10 0 DEAERO O=C(CC[C@H]1CC[NH2+]C1)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000261852138 145233748 /nfs/dbraw/zinc/23/37/48/145233748.db2.gz OVDFDZSBIKDZEB-QWHCGFSZSA-N 1 0 323.387 2.049 10 0 DEAERO CCOc1ccc2c(c1)C[C@H](c1nc(C[C@H](C)[NH2+]C)no1)CO2 ZINC000261862771 145234267 /nfs/dbraw/zinc/23/42/67/145234267.db2.gz UMEWBRUVGYFIMC-AAEUAGOBSA-N 1 0 317.389 2.337 10 0 DEAERO C[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 ZINC000261885870 145237646 /nfs/dbraw/zinc/23/76/46/145237646.db2.gz SJQJTHADWAUCQY-NSHDSACASA-N 1 0 319.405 2.134 10 0 DEAERO CCCOc1ccc(OCC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261896354 145238862 /nfs/dbraw/zinc/23/88/62/145238862.db2.gz VUSMJHXZIGJIBY-GJZGRUSLSA-N 1 0 320.433 2.440 10 0 DEAERO Cc1cc(C)n([C@H](C)CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000261905101 145240358 /nfs/dbraw/zinc/24/03/58/145240358.db2.gz GXOZFTYXVVEKCT-JZWPEALZSA-N 1 0 304.438 2.192 10 0 DEAERO Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)s1 ZINC000261906989 145240523 /nfs/dbraw/zinc/24/05/23/145240523.db2.gz IKYRTAYYZCVYLF-RRFJBIMHSA-N 1 0 309.479 2.049 10 0 DEAERO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261923758 145242588 /nfs/dbraw/zinc/24/25/88/145242588.db2.gz YYKBWFZIVGEPHB-QMTHXVAHSA-N 1 0 311.376 2.351 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)c2ccccc2OC[C@H]2CCCO2)C1 ZINC000261932529 145244048 /nfs/dbraw/zinc/24/40/48/145244048.db2.gz ITHNGIKPFWRZFP-RDTXWAMCSA-N 1 0 318.417 2.055 10 0 DEAERO COc1ccccc1[C@@H]1CNCCN1C(=O)CCCCCC[NH3+] ZINC000261950367 145245566 /nfs/dbraw/zinc/24/55/66/145245566.db2.gz LNCUIKQGYZWYMU-INIZCTEOSA-N 1 0 319.449 2.077 10 0 DEAERO [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000261956873 145247384 /nfs/dbraw/zinc/24/73/84/145247384.db2.gz XGHNSJOOGATVOT-DOMZBBRYSA-N 1 0 315.417 2.425 10 0 DEAERO C[NH2+]CCC1CCN(Cc2noc(Cc3ccccc3)n2)CC1 ZINC000261974635 145248593 /nfs/dbraw/zinc/24/85/93/145248593.db2.gz FJPKQVNWVYWZMJ-UHFFFAOYSA-N 1 0 314.433 2.482 10 0 DEAERO C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261995685 145251312 /nfs/dbraw/zinc/25/13/12/145251312.db2.gz UBINNYFUANIQBS-UKMLZYKCSA-N 1 0 318.465 2.054 10 0 DEAERO C[C@@]1(CN2CCN(C(=O)CCC3CCCCC3)CC2)CC[NH2+]C1 ZINC000262002421 145252237 /nfs/dbraw/zinc/25/22/37/145252237.db2.gz LKLPPTOINREERJ-LJQANCHMSA-N 1 0 321.509 2.491 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)N(C)c1ccccc1 ZINC000262029012 145254443 /nfs/dbraw/zinc/25/44/43/145254443.db2.gz XHHXQVWMAKWGBZ-NXWXRZEISA-N 1 0 317.477 2.258 10 0 DEAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc(Nc2cnccn2)c1 ZINC000262024901 145254720 /nfs/dbraw/zinc/25/47/20/145254720.db2.gz RVIDJZDXUGBKNQ-STQMWFEESA-N 1 0 311.389 2.030 10 0 DEAERO C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262036571 145255222 /nfs/dbraw/zinc/25/52/22/145255222.db2.gz FSIWQEQTIQFQAK-KYHPRHEASA-N 1 0 308.466 2.478 10 0 DEAERO CC1(C)CN(C(=O)c2c[nH]nc2-c2ccccc2F)CC[C@@H]1[NH3+] ZINC000262034716 145255445 /nfs/dbraw/zinc/25/54/45/145255445.db2.gz PPRQLKCABYXCTI-AWEZNQCLSA-N 1 0 316.380 2.415 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000262075370 145260166 /nfs/dbraw/zinc/26/01/66/145260166.db2.gz SNJGBBNULVTTBE-UHFFFAOYSA-N 1 0 318.442 2.020 10 0 DEAERO C[C@H](c1ccccc1)N(C)C(=O)CN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000262127101 145264731 /nfs/dbraw/zinc/26/47/31/145264731.db2.gz XVSNBTYYRJGTDZ-QAPCUYQASA-N 1 0 303.450 2.137 10 0 DEAERO COc1ccc(CCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1F ZINC000262194731 145268866 /nfs/dbraw/zinc/26/88/66/145268866.db2.gz ZVIOFDOPUQADGO-HNNXBMFYSA-N 1 0 308.397 2.353 10 0 DEAERO O=C(CCN1CC[NH2+]C[C@H]1c1cccnc1)Nc1ccccc1 ZINC000262233947 145270867 /nfs/dbraw/zinc/27/08/67/145270867.db2.gz OEVJHBPVIYKPRO-KRWDZBQOSA-N 1 0 310.401 2.057 10 0 DEAERO C[C@H](C(=O)N(C)c1cccc(OC(F)(F)F)c1)C1C[NH2+]C1 ZINC000262250316 145271445 /nfs/dbraw/zinc/27/14/45/145271445.db2.gz SNMIBOIJIHXKQB-VIFPVBQESA-N 1 0 302.296 2.404 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)C1 ZINC000262255718 145272146 /nfs/dbraw/zinc/27/21/46/145272146.db2.gz FDUORFVQJJRONV-MELADBBJSA-N 1 0 318.421 2.171 10 0 DEAERO C/C=C/c1ccc(OCC(=O)NC[C@@H](C)[NH2+]CC)c(OC)c1 ZINC000262455584 145285282 /nfs/dbraw/zinc/28/52/82/145285282.db2.gz KYAZCXQTJOVJQY-VUDGCMKMSA-N 1 0 306.406 2.221 10 0 DEAERO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1nc(C(C)(C)C)no1 ZINC000262468283 145285982 /nfs/dbraw/zinc/28/59/82/145285982.db2.gz MXYLARGCBSSQPA-RVMXOQNASA-N 1 0 320.437 2.465 10 0 DEAERO CC[NH2+][C@H](C)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000262468595 145286160 /nfs/dbraw/zinc/28/61/60/145286160.db2.gz OFLMVMMFUWLGMK-YWPYICTPSA-N 1 0 303.406 2.009 10 0 DEAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)C1CCC(C)(C)CC1 ZINC000262485722 145287071 /nfs/dbraw/zinc/28/70/71/145287071.db2.gz YRDGXNARFZQFKI-UHFFFAOYSA-N 1 0 319.453 2.437 10 0 DEAERO O=C(NC1CC[NH2+]CC1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000262519148 145289875 /nfs/dbraw/zinc/28/98/75/145289875.db2.gz VMAUXTUYZJRVIV-UHFFFAOYSA-N 1 0 304.781 2.008 10 0 DEAERO Cc1ccccc1CN(C)C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262553529 145292017 /nfs/dbraw/zinc/29/20/17/145292017.db2.gz SXLZEWFKWCBKOB-INIZCTEOSA-N 1 0 303.450 2.013 10 0 DEAERO C[C@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)OCO2 ZINC000262550207 145292031 /nfs/dbraw/zinc/29/20/31/145292031.db2.gz SGPHYRYDJDPCEB-XHDPSFHLSA-N 1 0 304.390 2.371 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)OCO2 ZINC000262550204 145292081 /nfs/dbraw/zinc/29/20/81/145292081.db2.gz SGPHYRYDJDPCEB-ABAIWWIYSA-N 1 0 304.390 2.371 10 0 DEAERO Cc1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000262553500 145292247 /nfs/dbraw/zinc/29/22/47/145292247.db2.gz SWEWQFFAPASAJS-IIDMSEBBSA-N 1 0 302.418 2.144 10 0 DEAERO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@H](C)C[NH3+] ZINC000262563791 145293447 /nfs/dbraw/zinc/29/34/47/145293447.db2.gz RFEIINAOKXGIHW-CYBMUJFWSA-N 1 0 300.406 2.207 10 0 DEAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000262576576 145294978 /nfs/dbraw/zinc/29/49/78/145294978.db2.gz YFWFMPFYOADSFR-GDBMZVCRSA-N 1 0 321.490 2.300 10 0 DEAERO Cc1ccc([C@H](O)CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000262621791 145296762 /nfs/dbraw/zinc/29/67/62/145296762.db2.gz IYBPUNLUEJEFFB-USXIJHARSA-N 1 0 304.434 2.170 10 0 DEAERO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)nc1 ZINC000262677044 145300012 /nfs/dbraw/zinc/30/00/12/145300012.db2.gz SYHVQDNKGVXTHH-XHSDSOJGSA-N 1 0 316.449 2.229 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000262759940 145303616 /nfs/dbraw/zinc/30/36/16/145303616.db2.gz JECOMFVROFADIM-XJKSGUPXSA-N 1 0 310.463 2.161 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000262775107 145304166 /nfs/dbraw/zinc/30/41/66/145304166.db2.gz NILMNYYVFQHEBD-PRHODGIISA-N 1 0 323.245 2.270 10 0 DEAERO Cc1cc(C)c(C)c(OCCC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000262867818 145308423 /nfs/dbraw/zinc/30/84/23/145308423.db2.gz UTHHEASOFQHKNW-GDBMZVCRSA-N 1 0 304.434 2.495 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000263169304 145331839 /nfs/dbraw/zinc/33/18/39/145331839.db2.gz FOIVYOOQUYHTKR-GARJFASQSA-N 1 0 318.343 2.482 10 0 DEAERO Cc1ccccc1[C@H](C)Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263201418 145335512 /nfs/dbraw/zinc/33/55/12/145335512.db2.gz JCISNKGATXQNAQ-UKRRQHHQSA-N 1 0 300.406 2.300 10 0 DEAERO CCOc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)ccc1C ZINC000263229779 145338527 /nfs/dbraw/zinc/33/85/27/145338527.db2.gz NFETXVIYYQWKDP-ZDUSSCGKSA-N 1 0 302.378 2.020 10 0 DEAERO C[C@H](Cc1ccccc1F)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263227213 145338771 /nfs/dbraw/zinc/33/87/71/145338771.db2.gz MZLSMISFBVSHJN-RISCZKNCSA-N 1 0 304.369 2.131 10 0 DEAERO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[NH+]1CCC([C@H](C)O)CC1 ZINC000304048517 145340013 /nfs/dbraw/zinc/34/00/13/145340013.db2.gz KDQMXHOSTMHTEN-KSXIZUIISA-N 1 0 310.482 2.409 10 0 DEAERO CCc1nsc(N2CC[NH+](CC3(O)CCC(C)CC3)CC2)n1 ZINC000304280061 145340021 /nfs/dbraw/zinc/34/00/21/145340021.db2.gz DNLSWELGJNTBSV-UHFFFAOYSA-N 1 0 324.494 2.164 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@@H](n3cccn3)C2)[C@@H]1C ZINC000332715753 145386241 /nfs/dbraw/zinc/38/62/41/145386241.db2.gz HEQSZARRFXLKDY-VQHPVUNQSA-N 1 0 318.465 2.461 10 0 DEAERO O[C@H](CC[NH2+]Cc1ccc(Br)cn1)C(F)(F)F ZINC000349300403 146366649 /nfs/dbraw/zinc/36/66/49/146366649.db2.gz SSLCUQUTCWRTDH-SECBINFHSA-N 1 0 313.117 2.247 10 0 DEAERO CC(=O)N1CCCC[C@@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000565362899 292157456 /nfs/dbraw/zinc/15/74/56/292157456.db2.gz SHSVECANESXPAK-CQSZACIVSA-N 1 0 300.362 2.269 10 0 DEAERO Cc1cc(NC(=O)c2cccc(O)c2)n(C2CC[NH+](C)CC2)n1 ZINC000357315614 147085905 /nfs/dbraw/zinc/08/59/05/147085905.db2.gz USLAPFUAKJMAMA-UHFFFAOYSA-N 1 0 314.389 2.416 10 0 DEAERO Cc1ccc(C)c(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000358382714 147123337 /nfs/dbraw/zinc/12/33/37/147123337.db2.gz JVPYAGUQUHPXIF-UHFFFAOYSA-N 1 0 315.417 2.010 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)Nc2ccc([S@@](C)=O)cc2)CC1 ZINC000358475475 147141372 /nfs/dbraw/zinc/14/13/72/147141372.db2.gz ZVIUWFHIHGYOBF-JOCHJYFZSA-N 1 0 321.446 2.198 10 0 DEAERO Cc1noc(-c2ccccc2C(=O)NCCCC[NH+](C)C)n1 ZINC000359297917 147302011 /nfs/dbraw/zinc/30/20/11/147302011.db2.gz SBNPDIPWRZPHEH-UHFFFAOYSA-N 1 0 302.378 2.117 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc2cc[nH]c2n1 ZINC000359427788 147325389 /nfs/dbraw/zinc/32/53/89/147325389.db2.gz RAPULBPVSZSADM-OAHLLOKOSA-N 1 0 300.406 2.444 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC2(C)C)[C@H](C)C1 ZINC000360783987 147383669 /nfs/dbraw/zinc/38/36/69/147383669.db2.gz ZFTLTQAAOUMWHY-QLFBSQMISA-N 1 0 311.470 2.221 10 0 DEAERO Cc1ncc(C(=O)NC2CC([NH+]3CCCCC3)C2)c(C2CC2)n1 ZINC000366893667 147685519 /nfs/dbraw/zinc/68/55/19/147685519.db2.gz RADVJAHCZPAICS-UHFFFAOYSA-N 1 0 314.433 2.409 10 0 DEAERO Cc1ccnc(C2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)n1 ZINC000371829207 148144912 /nfs/dbraw/zinc/14/49/12/148144912.db2.gz RFTSRNDZHRGBBV-UHFFFAOYSA-N 1 0 320.437 2.489 10 0 DEAERO C(CC1CCOCC1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000372133107 148173065 /nfs/dbraw/zinc/17/30/65/148173065.db2.gz CDKKOSNWTRLDKJ-SFHVURJKSA-N 1 0 310.482 2.380 10 0 DEAERO CCn1cc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cn1 ZINC000374789992 148290060 /nfs/dbraw/zinc/29/00/60/148290060.db2.gz ASMWFMOAJPSUHE-OFQRWUPVSA-N 1 0 307.438 2.121 10 0 DEAERO COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCCC[C@H]2c2ccnn2C)C1 ZINC000375608837 148390344 /nfs/dbraw/zinc/39/03/44/148390344.db2.gz UKYFZUSTCNWGAH-BBRMVZONSA-N 1 0 319.405 2.183 10 0 DEAERO CCc1nn(C)c(CC)c1C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000375679222 148399420 /nfs/dbraw/zinc/39/94/20/148399420.db2.gz ODYFQFHNRRIWPU-SFHVURJKSA-N 1 0 321.465 2.315 10 0 DEAERO CCOCCN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248123645 286078294 /nfs/dbraw/zinc/07/82/94/286078294.db2.gz UXMFISPHGFOXOS-SJORKVTESA-N 1 0 319.449 2.500 10 0 DEAERO CCOCCN1CCN(C(=O)N[C@H](C)c2ccc(C)o2)CC1 ZINC000111804071 401724129 /nfs/dbraw/zinc/72/41/29/401724129.db2.gz PLPFOMJBVKGJRQ-CQSZACIVSA-N 1 0 309.410 2.013 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C)cc1C ZINC000111832614 401725220 /nfs/dbraw/zinc/72/52/20/401725220.db2.gz CVOWXNZVVCEFBX-KRWDZBQOSA-N 1 0 319.449 2.213 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1c2ccccc2C[C@@H]1C ZINC000111865941 401726536 /nfs/dbraw/zinc/72/65/36/401726536.db2.gz XYQCVSQGDYWPOY-HOCLYGCPSA-N 1 0 317.433 2.258 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c(C)n[nH]c2C)[C@H](C)C1 ZINC000127284371 401727648 /nfs/dbraw/zinc/72/76/48/401727648.db2.gz HYFGGMHFCVNWSV-MLGOLLRUSA-N 1 0 306.454 2.148 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000127430504 401734407 /nfs/dbraw/zinc/73/44/07/401734407.db2.gz WRVPNFWFVPWADN-ZBFHGGJFSA-N 1 0 306.406 2.362 10 0 DEAERO C[C@H]1CCC[C@H](C)N1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112288902 401736234 /nfs/dbraw/zinc/73/62/34/401736234.db2.gz JBQPSRWZDULLAB-GJZGRUSLSA-N 1 0 316.449 2.237 10 0 DEAERO [NH3+]CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1 ZINC000000008954 401687377 /nfs/dbraw/zinc/68/73/77/401687377.db2.gz VNWSJGQXBGKBED-UHFFFAOYSA-N 1 0 300.383 2.380 10 0 DEAERO Fc1ccc(C[NH2+]CCCn2ccnn2)cc1Br ZINC000126449676 401694818 /nfs/dbraw/zinc/69/48/18/401694818.db2.gz YZDUKBFZKYLPPE-UHFFFAOYSA-N 1 0 313.174 2.360 10 0 DEAERO COCCOc1cccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000072016976 401701014 /nfs/dbraw/zinc/70/10/14/401701014.db2.gz FRQMLVBPBAMBSA-MRXNPFEDSA-N 1 0 322.449 2.418 10 0 DEAERO CCC[C@@](C)(O)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000126653267 401702899 /nfs/dbraw/zinc/70/28/99/401702899.db2.gz PFKHIOLAUVIAGX-QGZVFWFLSA-N 1 0 305.422 2.026 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Br)c[nH]2)CC[N@@H+]1C ZINC000127726241 401747546 /nfs/dbraw/zinc/74/75/46/401747546.db2.gz WKEAFYSXPQGGTE-KOLCDFICSA-N 1 0 314.227 2.332 10 0 DEAERO COc1cccc([C@@H](C[NH3+])S(=O)(=O)c2ccc(F)cc2)c1 ZINC000008037245 401747719 /nfs/dbraw/zinc/74/77/19/401747719.db2.gz URBLBAWRNFMGSC-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO CCONC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000111437641 401715533 /nfs/dbraw/zinc/71/55/33/401715533.db2.gz AIPGUBSFEUYKFS-LLVKDONJSA-N 1 0 313.348 2.180 10 0 DEAERO Cc1ncc(C[NH2+]CC[C@H](C)[S@](C)=O)n1-c1ccccc1 ZINC000129317919 401802486 /nfs/dbraw/zinc/80/24/86/401802486.db2.gz GMESAEGRBBTVBC-YEJXKQKISA-N 1 0 305.447 2.427 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114589011 401803764 /nfs/dbraw/zinc/80/37/64/401803764.db2.gz QZKAXPNHPMXXPP-GOSISDBHSA-N 1 0 323.481 2.487 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc2c(s1)CCCC2 ZINC000129521548 401805109 /nfs/dbraw/zinc/80/51/09/401805109.db2.gz QQOLLIHLEPCOTJ-JQWIXIFHSA-N 1 0 306.431 2.425 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000129555347 401805979 /nfs/dbraw/zinc/80/59/79/401805979.db2.gz GXXOKOODPWPGKJ-UHFFFAOYSA-N 1 0 305.422 2.069 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2coc(-c3cccs3)n2)CCO1 ZINC000075133139 401750877 /nfs/dbraw/zinc/75/08/77/401750877.db2.gz ZNGVLPAJVWHTNR-CYBMUJFWSA-N 1 0 307.419 2.166 10 0 DEAERO O=C1CCCN1C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000127987166 401758116 /nfs/dbraw/zinc/75/81/16/401758116.db2.gz PMDHFXMTWKQMIT-RDJZCZTQSA-N 1 0 322.836 2.364 10 0 DEAERO c1cnn([C@H]2CCCC[C@@H]2[NH2+]Cc2nnnn2-c2ccccc2)c1 ZINC000128003585 401758520 /nfs/dbraw/zinc/75/85/20/401758520.db2.gz RZFVYBDHMVTALA-HOTGVXAUSA-N 1 0 323.404 2.132 10 0 DEAERO CC(C)OC(=O)CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000075719700 401767342 /nfs/dbraw/zinc/76/73/42/401767342.db2.gz CTHBRRZQBPDFLB-UHFFFAOYSA-N 1 0 324.465 2.489 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)cc2nccnc21 ZINC000113226986 401770284 /nfs/dbraw/zinc/77/02/84/401770284.db2.gz FIMHAGMBDUYWTM-DGCLKSJQSA-N 1 0 314.364 2.078 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC(=O)c1cccs1 ZINC000113226600 401770516 /nfs/dbraw/zinc/77/05/16/401770516.db2.gz IQXBFBZVYKXFFZ-CHWSQXEVSA-N 1 0 306.431 2.406 10 0 DEAERO Cc1ccc(OC[C@H](O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)c1 ZINC000113266964 401773742 /nfs/dbraw/zinc/77/37/42/401773742.db2.gz QVMDFTXPOROZPM-OKZBNKHCSA-N 1 0 318.461 2.212 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCCN1CC[NH+]1CCCCC1 ZINC000076008791 401777371 /nfs/dbraw/zinc/77/73/71/401777371.db2.gz ULNRBEBDYIUZPI-HNNXBMFYSA-N 1 0 311.470 2.461 10 0 DEAERO CC1CCC(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000128472261 401778418 /nfs/dbraw/zinc/77/84/18/401778418.db2.gz VIGLENFVIZDMOS-CSKOPFHVSA-N 1 0 308.466 2.308 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)N[C@@H](CO)CC(C)(C)C ZINC000128785790 401791839 /nfs/dbraw/zinc/79/18/39/401791839.db2.gz FMRJCXGXQRVTDR-CQSZACIVSA-N 1 0 322.449 2.154 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000128804739 401792574 /nfs/dbraw/zinc/79/25/74/401792574.db2.gz GJXKZSJQDJZJKR-IAGOWNOFSA-N 1 0 323.481 2.365 10 0 DEAERO C[C@H](NC(=O)[C@H](C)N1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000114198234 401794395 /nfs/dbraw/zinc/79/43/95/401794395.db2.gz BWTDFIWERKIESR-HRCADAONSA-N 1 0 303.450 2.136 10 0 DEAERO C[C@@H]([NH2+]CCCC(F)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000130329195 401827634 /nfs/dbraw/zinc/82/76/34/401827634.db2.gz DOCMIMGABONUOV-SECBINFHSA-N 1 0 310.341 2.327 10 0 DEAERO CCn1cc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000115635825 401834139 /nfs/dbraw/zinc/83/41/39/401834139.db2.gz NXMSMQBDQIECRV-UHFFFAOYSA-N 1 0 319.384 2.425 10 0 DEAERO C[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000115694255 401835631 /nfs/dbraw/zinc/83/56/31/401835631.db2.gz DROUPBJYBWKAIR-WBMJQRKESA-N 1 0 323.412 2.254 10 0 DEAERO CC(C)NC(=O)CC[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000025926559 401838043 /nfs/dbraw/zinc/83/80/43/401838043.db2.gz XEJSNOZTRJWFSJ-AWEZNQCLSA-N 1 0 315.421 2.175 10 0 DEAERO CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H]2c2ccco2)C1=O ZINC000116290480 401848827 /nfs/dbraw/zinc/84/88/27/401848827.db2.gz JVUJUYQKYHWKPV-LBPRGKRZSA-N 1 0 305.378 2.137 10 0 DEAERO COC(=O)c1cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)oc1C ZINC000116314967 401849353 /nfs/dbraw/zinc/84/93/53/401849353.db2.gz XKKUMOCGBAAOLU-GFCCVEGCSA-N 1 0 303.362 2.098 10 0 DEAERO CCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116569674 401854660 /nfs/dbraw/zinc/85/46/60/401854660.db2.gz WEECSNHWHUQCJL-HOCLYGCPSA-N 1 0 304.438 2.343 10 0 DEAERO Cc1ccc(CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000116554840 401854880 /nfs/dbraw/zinc/85/48/80/401854880.db2.gz CNGLPSTYJKGYPK-QGZVFWFLSA-N 1 0 301.434 2.417 10 0 DEAERO COC(=O)[C@H](O)C1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000132750536 401873277 /nfs/dbraw/zinc/87/32/77/401873277.db2.gz NTMWVKQOVPXEKE-WMLDXEAASA-N 1 0 305.418 2.111 10 0 DEAERO c1csc(-c2noc(-c3ccc(N4CC[NH2+]CC4)nc3)n2)c1 ZINC000040351989 401925014 /nfs/dbraw/zinc/92/50/14/401925014.db2.gz XDUNITBXYNUMKO-UHFFFAOYSA-N 1 0 313.386 2.270 10 0 DEAERO CCc1noc(CC)c1CNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000087133780 401928246 /nfs/dbraw/zinc/92/82/46/401928246.db2.gz OPAZBWRKPGUXPZ-GFCCVEGCSA-N 1 0 310.442 2.329 10 0 DEAERO CCS(=O)(=O)N1CCC([NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000132966379 401876839 /nfs/dbraw/zinc/87/68/39/401876839.db2.gz BBOSIVFVJVBSPS-OAHLLOKOSA-N 1 0 324.490 2.269 10 0 DEAERO CC[C@H]1CN(C(=O)NCc2cccc(C)c2)CC[N@@H+]1CCOC ZINC000117475507 401877794 /nfs/dbraw/zinc/87/77/94/401877794.db2.gz TYEFWBJFQGJWDD-KRWDZBQOSA-N 1 0 319.449 2.247 10 0 DEAERO CC[C@@H]1CN(C(=O)NC[C@H]2CC=CCC2)CC[N@@H+]1CCOC ZINC000117485871 401878467 /nfs/dbraw/zinc/87/84/67/401878467.db2.gz GJIXNAHQRGXDGE-JKSUJKDBSA-N 1 0 309.454 2.095 10 0 DEAERO CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000117495179 401878477 /nfs/dbraw/zinc/87/84/77/401878477.db2.gz HXZQHVMJZZTNKN-CVEARBPZSA-N 1 0 311.470 2.319 10 0 DEAERO C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000117746966 401882794 /nfs/dbraw/zinc/88/27/94/401882794.db2.gz PCTBBNHFUMNBLV-PBHICJAKSA-N 1 0 313.401 2.268 10 0 DEAERO C[C@H]1c2ccccc2O[C@@H]1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000117756268 401883332 /nfs/dbraw/zinc/88/33/32/401883332.db2.gz IPJVTKWLKBRVMW-YOEHRIQHSA-N 1 0 302.418 2.399 10 0 DEAERO CC(C)Oc1cncc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000133381513 401883718 /nfs/dbraw/zinc/88/37/18/401883718.db2.gz WEEGYBLPZHYTPB-DZGCQCFKSA-N 1 0 303.406 2.178 10 0 DEAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000117762386 401883987 /nfs/dbraw/zinc/88/39/87/401883987.db2.gz XQDZVZFOFUSYPA-IGCXYCKISA-N 1 0 300.402 2.152 10 0 DEAERO C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCC1CC[NH+](C)CC1 ZINC000117778178 401884255 /nfs/dbraw/zinc/88/42/55/401884255.db2.gz VBZGUFCLAVJOJH-CXAGYDPISA-N 1 0 302.418 2.399 10 0 DEAERO O=C(/C=C/c1cccc(O)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000134038310 401898298 /nfs/dbraw/zinc/89/82/98/401898298.db2.gz CTVLATYDOQEBSJ-VOTSOKGWSA-N 1 0 300.402 2.492 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2F)CCO1 ZINC000118790860 401907734 /nfs/dbraw/zinc/90/77/34/401907734.db2.gz SDWDHQDFLWKONY-NSHDSACASA-N 1 0 315.776 2.273 10 0 DEAERO O=C(Cc1cnc2ccccc2c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000118879872 401913635 /nfs/dbraw/zinc/91/36/35/401913635.db2.gz UYOSBCRDUQLRQQ-CQSZACIVSA-N 1 0 309.413 2.378 10 0 DEAERO O=C(c1cccc(Br)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000037503245 401914369 /nfs/dbraw/zinc/91/43/69/401914369.db2.gz PEUOYHUIIAYRNL-ZDUSSCGKSA-N 1 0 309.207 2.369 10 0 DEAERO CCCCNC(=O)C1([NH2+]CC(=O)NC(C)(C)C)CCCCC1 ZINC000085906537 401919965 /nfs/dbraw/zinc/91/99/65/401919965.db2.gz XIRFSEOEUIVPDI-UHFFFAOYSA-N 1 0 311.470 2.110 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000045544804 401958949 /nfs/dbraw/zinc/95/89/49/401958949.db2.gz CELILCFIFALIJY-GFCCVEGCSA-N 1 0 307.394 2.117 10 0 DEAERO CC[C@H](CO)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119583359 401960068 /nfs/dbraw/zinc/96/00/68/401960068.db2.gz VNTCDWUGFMSDQQ-AEFFLSMTSA-N 1 0 319.449 2.111 10 0 DEAERO Cc1noc(C)c1CSCC(=O)N1CCC([NH+](C)C)CC1 ZINC000120663313 401997944 /nfs/dbraw/zinc/99/79/44/401997944.db2.gz KGESOFWJLQWYGH-UHFFFAOYSA-N 1 0 311.451 2.077 10 0 DEAERO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccncc1 ZINC000136340996 401966161 /nfs/dbraw/zinc/96/61/61/401966161.db2.gz YEGWVWKUBUTRBL-IMJJTQAJSA-N 1 0 302.422 2.268 10 0 DEAERO CN(CCC[NH+]1CCCC1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000119906378 401970659 /nfs/dbraw/zinc/97/06/59/401970659.db2.gz RDWJGRNZLGUBDV-UHFFFAOYSA-N 1 0 311.376 2.321 10 0 DEAERO COc1ccc(OCCC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000046859077 401974072 /nfs/dbraw/zinc/97/40/72/401974072.db2.gz PGCIYTHZMPXFEO-OAHLLOKOSA-N 1 0 320.433 2.455 10 0 DEAERO CC(C)N(CCS(C)(=O)=O)Cc1ccc2ccccc2n1 ZINC000137079191 401978582 /nfs/dbraw/zinc/97/85/82/401978582.db2.gz XZVRPZZCXMHDOH-UHFFFAOYSA-N 1 0 306.431 2.490 10 0 DEAERO C[C@H]([NH2+]CCCN1CCCC1=O)c1nc2ccccc2n1C ZINC000091265503 401995691 /nfs/dbraw/zinc/99/56/91/401995691.db2.gz CTDWJKDRAGGRHR-ZDUSSCGKSA-N 1 0 300.406 2.236 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2ncc(-c3ccccc3F)o2)CCO1 ZINC000119298978 401939187 /nfs/dbraw/zinc/93/91/87/401939187.db2.gz AOPCEURVARQEAK-CYBMUJFWSA-N 1 0 319.380 2.243 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1cncc(F)c1 ZINC000119364611 401944546 /nfs/dbraw/zinc/94/45/46/401944546.db2.gz FKIQXASHJJTERX-SQRWCISFSA-N 1 0 305.397 2.471 10 0 DEAERO Cc1[nH]c2ccccc2c1C(=O)NCCCC[NH+]1CCOCC1 ZINC000048286100 401996998 /nfs/dbraw/zinc/99/69/98/401996998.db2.gz KLIWOXRCUHYMAY-UHFFFAOYSA-N 1 0 315.417 2.319 10 0 DEAERO C[C@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2F)O1 ZINC000150817441 401997009 /nfs/dbraw/zinc/99/70/09/401997009.db2.gz NJVIZMPCTOAOSH-XJKSGUPXSA-N 1 0 308.397 2.283 10 0 DEAERO C[C@@H](NC(=O)N[C@@H]1COc2ccccc21)C(C)(C)C[NH+](C)C ZINC000119422438 401949125 /nfs/dbraw/zinc/94/91/25/401949125.db2.gz VQYAPIIKVUFXEF-TZMCWYRMSA-N 1 0 305.422 2.396 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccc(S(C)(=O)=O)cc1 ZINC000135665755 401949957 /nfs/dbraw/zinc/94/99/57/401949957.db2.gz WZFADEFKDCBMKU-MAZHCROVSA-N 1 0 311.447 2.434 10 0 DEAERO NC(=O)NC(=O)OCCC[N@H+]1CC=C(c2cccs2)CC1 ZINC000093174773 402013251 /nfs/dbraw/zinc/01/32/51/402013251.db2.gz HSZKHSXFXXQCGI-UHFFFAOYSA-N 1 0 309.391 2.032 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000151113336 402016988 /nfs/dbraw/zinc/01/69/88/402016988.db2.gz XZELFPNNUZSETK-CABCVRRESA-N 1 0 320.437 2.250 10 0 DEAERO Cn1c(Cl)c(Cl)cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049516002 402018430 /nfs/dbraw/zinc/01/84/30/402018430.db2.gz AHBVYWCCXLDFER-VIFPVBQESA-N 1 0 302.205 2.252 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)CCc2ncc(C)s2)C1 ZINC000121274977 402024590 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CCC(CC)(CCO)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000152073059 402074144 /nfs/dbraw/zinc/07/41/44/402074144.db2.gz KNNIDZOCUWZMBL-KRWDZBQOSA-N 1 0 320.477 2.464 10 0 DEAERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@H](C)N1CCCC1=O ZINC000055169113 402077181 /nfs/dbraw/zinc/07/71/81/402077181.db2.gz CAOCHICGJPYUKC-INIZCTEOSA-N 1 0 323.481 2.110 10 0 DEAERO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1OC ZINC000152362597 402092154 /nfs/dbraw/zinc/09/21/54/402092154.db2.gz FRYQOOSXGBOZLD-OLZOCXBDSA-N 1 0 306.406 2.284 10 0 DEAERO C[C@H]1C[C@H](N(C)Cc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1C ZINC000123116562 402111194 /nfs/dbraw/zinc/11/11/94/402111194.db2.gz XEOXULBCLNANRT-WMLDXEAASA-N 1 0 303.450 2.303 10 0 DEAERO COc1cccc(Cl)c1CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000153016335 402122529 /nfs/dbraw/zinc/12/25/29/402122529.db2.gz MDPJHZBYJUDLCG-LBPRGKRZSA-N 1 0 322.836 2.492 10 0 DEAERO C[C@H](CNC(=O)N1CCC[C@H]1C1CCCCC1)N1CCOCC1 ZINC000122105219 402061849 /nfs/dbraw/zinc/06/18/49/402061849.db2.gz 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319.449 2.170 10 0 DEAERO CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261848681 286182116 /nfs/dbraw/zinc/18/21/16/286182116.db2.gz BAPVAQSQUGXCJF-GUDVDZBRSA-N 1 0 318.461 2.470 10 0 DEAERO Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000124484978 402182077 /nfs/dbraw/zinc/18/20/77/402182077.db2.gz QGUJMIWUZIRVQU-INIZCTEOSA-N 1 0 320.408 2.205 10 0 DEAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000103284445 402183726 /nfs/dbraw/zinc/18/37/26/402183726.db2.gz BGOMWHYPHGPGOV-NWDGAFQWSA-N 1 0 323.824 2.254 10 0 DEAERO COC[C@@H](C)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000103434364 402187833 /nfs/dbraw/zinc/18/78/33/402187833.db2.gz BCBJTIRKUMYSMF-CYBMUJFWSA-N 1 0 305.422 2.414 10 0 DEAERO COC[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000103432744 402188069 /nfs/dbraw/zinc/18/80/69/402188069.db2.gz OMAOYFXLIYWQIR-GFCCVEGCSA-N 1 0 314.376 2.138 10 0 DEAERO COC[C@H](C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000103432970 402188099 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ZINC000102685751 402170171 /nfs/dbraw/zinc/17/01/71/402170171.db2.gz HXOCLQXTPCINIQ-GFCCVEGCSA-N 1 0 301.390 2.484 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCC(=O)OC(C)(C)C ZINC000124274041 402171648 /nfs/dbraw/zinc/17/16/48/402171648.db2.gz DIPOYSNYIUZTKH-HNNXBMFYSA-N 1 0 320.433 2.007 10 0 DEAERO CCCCC[C@@H](C)NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000106515505 402213903 /nfs/dbraw/zinc/21/39/03/402213903.db2.gz YWHXZENXTMMXHN-SJORKVTESA-N 1 0 324.513 2.377 10 0 DEAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000107153902 402227003 /nfs/dbraw/zinc/22/70/03/402227003.db2.gz MFVSDGKYSYCCIV-LLVKDONJSA-N 1 0 322.352 2.030 10 0 DEAERO C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C[C@H]1CCCOC1 ZINC000107686669 402237848 /nfs/dbraw/zinc/23/78/48/402237848.db2.gz PKXJRRNRKLQVBU-OLZOCXBDSA-N 1 0 322.371 2.146 10 0 DEAERO CCc1nc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cs1 ZINC000107776518 402240520 /nfs/dbraw/zinc/24/05/20/402240520.db2.gz ZEPCMQCTILOGRN-OAHLLOKOSA-N 1 0 317.458 2.495 10 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JBULBJJKTKBGSB-AWEZNQCLSA-N 1 0 311.364 2.463 10 0 DEAERO COc1ccc(-c2ccc(N3CCC[C@@H]([NH3+])C3)nn2)cc1OC ZINC000070458942 402261597 /nfs/dbraw/zinc/26/15/97/402261597.db2.gz XYKIAIUSGGYWLA-CYBMUJFWSA-N 1 0 314.389 2.088 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000105896601 402210620 /nfs/dbraw/zinc/21/06/20/402210620.db2.gz UOFTXCCSZFHZNN-OAHLLOKOSA-N 1 0 304.438 2.095 10 0 DEAERO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886520 402210751 /nfs/dbraw/zinc/21/07/51/402210751.db2.gz DBFYWJMVYQXYRQ-HZPDHXFCSA-N 1 0 318.465 2.385 10 0 DEAERO CCCCOC(=O)CC[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105918468 402211509 /nfs/dbraw/zinc/21/15/09/402211509.db2.gz MKNKXNCNOITQAC-UHFFFAOYSA-N 1 0 307.438 2.408 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2ncc(-c3ccccc3)o2)CCO1 ZINC000105925218 402211554 /nfs/dbraw/zinc/21/15/54/402211554.db2.gz HWXDZYAZIWQJIS-HNNXBMFYSA-N 1 0 301.390 2.104 10 0 DEAERO COc1cccc([C@@H]2C[C@H](O)CN2c2ncnc3[nH]ccc32)c1 ZINC000225700995 402322105 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CC1(C)CC[C@@H](C[NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)O1 ZINC000184654611 402289101 /nfs/dbraw/zinc/28/91/01/402289101.db2.gz IKPPQRKYDIULQZ-ZWKOTPCHSA-N 1 0 318.461 2.295 10 0 DEAERO CC(C)C[C@H](CCO)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000176304562 402298521 /nfs/dbraw/zinc/29/85/21/402298521.db2.gz JNHFPYQEMDOSCD-ROUUACIJSA-N 1 0 320.477 2.320 10 0 DEAERO C[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176333223 402300514 /nfs/dbraw/zinc/30/05/14/402300514.db2.gz OZNRKZYPHHQSLM-GJZGRUSLSA-N 1 0 322.474 2.277 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](COC)c1ccc(C)o1 ZINC000176436743 402309226 /nfs/dbraw/zinc/30/92/26/402309226.db2.gz WRDMLURIMFZYBV-GJZGRUSLSA-N 1 0 323.437 2.401 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)s1 ZINC000176438060 402309864 /nfs/dbraw/zinc/30/98/64/402309864.db2.gz VZHSWCKFWNFPOJ-ONGXEEELSA-N 1 0 311.451 2.371 10 0 DEAERO COC1CCC([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)CC1 ZINC000184949417 402311822 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COC(=O)c1ccc(NCC[NH+](C(C)C)C(C)C)nc1OC ZINC000185508142 402358069 /nfs/dbraw/zinc/35/80/69/402358069.db2.gz LUMNIKUIRUIJPJ-UHFFFAOYSA-N 1 0 309.410 2.408 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1OC ZINC000177025505 402360906 /nfs/dbraw/zinc/36/09/06/402360906.db2.gz XPTZFCXPWPOIPV-OAHLLOKOSA-N 1 0 305.422 2.321 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCOc1cccc(C)c1 ZINC000177025095 402361002 /nfs/dbraw/zinc/36/10/02/402361002.db2.gz NCVOCQRWOZWNRM-MRXNPFEDSA-N 1 0 319.449 2.500 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(OCCOC)cc1 ZINC000177043772 402362872 /nfs/dbraw/zinc/36/28/72/402362872.db2.gz MSEZXRPRCRNDNH-MRXNPFEDSA-N 1 0 320.433 2.268 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000177291856 402387993 /nfs/dbraw/zinc/38/79/93/402387993.db2.gz XUQXODBILMQTOH-HOTGVXAUSA-N 1 0 306.454 2.155 10 0 DEAERO C/C=C/C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000185906273 402388300 /nfs/dbraw/zinc/38/83/00/402388300.db2.gz RUIZNSDYMRKRSX-KRJKFKNKSA-N 1 0 317.433 2.058 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CCO2 ZINC000177151255 402375857 /nfs/dbraw/zinc/37/58/57/402375857.db2.gz XEVKUDMMNRJMTO-IUODEOHRSA-N 1 0 301.390 2.322 10 0 DEAERO CCCC[N@H+](C)CC1CCN(Cc2nc(N(C)C)no2)CC1 ZINC000185249580 402338478 /nfs/dbraw/zinc/33/84/78/402338478.db2.gz FTQJYVCIUXMPPO-UHFFFAOYSA-N 1 0 309.458 2.080 10 0 DEAERO C[NH2+]C1CCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000237106705 402395721 /nfs/dbraw/zinc/39/57/21/402395721.db2.gz FXNUQPKGFPUHEO-UHFFFAOYSA-N 1 0 320.408 2.084 10 0 DEAERO CC1(C)Cc2cccc(CNC[C@H](O)C[NH+]3CCCCC3)c2O1 ZINC000161766522 402398054 /nfs/dbraw/zinc/39/80/54/402398054.db2.gz PGTCKJRYSQDNAB-KRWDZBQOSA-N 1 0 318.461 2.337 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000161869996 402402042 /nfs/dbraw/zinc/40/20/42/402402042.db2.gz KUXGOBDKODEUBE-CZUORRHYSA-N 1 0 313.401 2.209 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(F)cccc1Cl ZINC000162083406 402409115 /nfs/dbraw/zinc/40/91/15/402409115.db2.gz CKLCPNSBURBPBQ-SNVBAGLBSA-N 1 0 320.817 2.242 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237518194 402410947 /nfs/dbraw/zinc/41/09/47/402410947.db2.gz MTYFRAPIAHIHBR-NZBMOFRJSA-N 1 0 305.422 2.259 10 0 DEAERO COc1cc(OC)cc([C@@H]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)C2)c1 ZINC000162206549 402413297 /nfs/dbraw/zinc/41/32/97/402413297.db2.gz JHSJJBQDGBYJOB-HIFRSBDPSA-N 1 0 318.417 2.162 10 0 DEAERO COCCC1(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000186283698 402417762 /nfs/dbraw/zinc/41/77/62/402417762.db2.gz MJHGHRRCXBMZPH-MRXNPFEDSA-N 1 0 323.481 2.463 10 0 DEAERO Cn1c(CCCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)nc2ccccc21 ZINC000237729568 402419738 /nfs/dbraw/zinc/41/97/38/402419738.db2.gz LTNQLKPXQCFFHG-KBPBESRZSA-N 1 0 314.433 2.140 10 0 DEAERO O=C(CCC1CC[NH2+]CC1)NCCOc1ccc(F)cc1F ZINC000237770321 402420793 /nfs/dbraw/zinc/42/07/93/402420793.db2.gz OXSHTPFKBHELOD-UHFFFAOYSA-N 1 0 312.360 2.240 10 0 DEAERO CN1CCO[C@H](C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000162602905 402425935 /nfs/dbraw/zinc/42/59/35/402425935.db2.gz GDYICZSEXNODBE-LLVKDONJSA-N 1 0 306.303 2.265 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCCCn1cnc2ccccc21 ZINC000186376538 402426874 /nfs/dbraw/zinc/42/68/74/402426874.db2.gz MULDRHSDCLCRPF-UHFFFAOYSA-N 1 0 323.400 2.317 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nnc(-c2ccccc2)n1C ZINC000177705564 402428459 /nfs/dbraw/zinc/42/84/59/402428459.db2.gz UIKXHDIDGYKCQD-MRXNPFEDSA-N 1 0 313.449 2.398 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccn2ccnc2c1 ZINC000177712415 402429350 /nfs/dbraw/zinc/42/93/50/402429350.db2.gz XRSGIKMMBNSWFI-CQSZACIVSA-N 1 0 315.421 2.008 10 0 DEAERO C[C@@H](C(=O)N1CCC[C@@H]1Cn1ccnc1)[NH+]1CCCCCC1 ZINC000177774969 402434441 /nfs/dbraw/zinc/43/44/41/402434441.db2.gz PKJXOAYEXUPHLF-JKSUJKDBSA-N 1 0 304.438 2.139 10 0 DEAERO CCOCC[NH+]1CCN(c2ncnc3c(C)cccc32)CC1 ZINC000177929675 402444999 /nfs/dbraw/zinc/44/49/99/402444999.db2.gz BNHODGOSBVZUHA-UHFFFAOYSA-N 1 0 300.406 2.097 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000163263526 402445720 /nfs/dbraw/zinc/44/57/20/402445720.db2.gz DDVJYPKNQZBVKO-KSSFIOAISA-N 1 0 319.449 2.406 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000163263866 402445909 /nfs/dbraw/zinc/44/59/09/402445909.db2.gz DDVJYPKNQZBVKO-RDTXWAMCSA-N 1 0 319.449 2.406 10 0 DEAERO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186618547 402448294 /nfs/dbraw/zinc/44/82/94/402448294.db2.gz YDXZGYRGXAQPJO-INIZCTEOSA-N 1 0 318.417 2.432 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)NCC1(CCO)CC1)c1ccco1 ZINC000186619951 402448326 /nfs/dbraw/zinc/44/83/26/402448326.db2.gz ZCWVLWZUEBMRCA-AWEZNQCLSA-N 1 0 323.437 2.124 10 0 DEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000185947599 402391812 /nfs/dbraw/zinc/39/18/12/402391812.db2.gz ABYGCGGRDMUVKX-KCXAZCMYSA-N 1 0 323.868 2.055 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCC([NH3+])CC2)cc1 ZINC000262492763 292231937 /nfs/dbraw/zinc/23/19/37/292231937.db2.gz ALJXCBFZPXMXRU-IRXDYDNUSA-N 1 0 302.418 2.412 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246099080 402509993 /nfs/dbraw/zinc/50/99/93/402509993.db2.gz HIELIFAHTABOIS-GXTWGEPZSA-N 1 0 314.426 2.237 10 0 DEAERO Cc1nc(CCCC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cs1 ZINC000246112546 402511250 /nfs/dbraw/zinc/51/12/50/402511250.db2.gz CIUCJIBWPLWYAJ-IUODEOHRSA-N 1 0 307.463 2.469 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000186671798 402453210 /nfs/dbraw/zinc/45/32/10/402453210.db2.gz KJSSZHHEZJHQKN-BXUZGUMPSA-N 1 0 304.438 2.243 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(-c2ccco2)o1 ZINC000245423384 402459138 /nfs/dbraw/zinc/45/91/38/402459138.db2.gz JKHUHRBJFPXMPK-STQMWFEESA-N 1 0 302.378 2.388 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC000245439734 402461147 /nfs/dbraw/zinc/46/11/47/402461147.db2.gz TVDGRXKSYABCHY-KLHDSHLOSA-N 1 0 322.449 2.051 10 0 DEAERO CCN(C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000245447890 402461256 /nfs/dbraw/zinc/46/12/56/402461256.db2.gz MLQDKDWIIRHWCG-DOTOQJQBSA-N 1 0 303.450 2.454 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000245469648 402463931 /nfs/dbraw/zinc/46/39/31/402463931.db2.gz MAXACAXGTWJAQV-GJZGRUSLSA-N 1 0 304.438 2.092 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000245481387 402464655 /nfs/dbraw/zinc/46/46/55/402464655.db2.gz YFIZHTVPGOXAKW-CABCVRRESA-N 1 0 306.454 2.338 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000245481388 402464797 /nfs/dbraw/zinc/46/47/97/402464797.db2.gz YFIZHTVPGOXAKW-HUUCEWRRSA-N 1 0 306.454 2.338 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)CCc2nccs2)C1 ZINC000245502671 402466566 /nfs/dbraw/zinc/46/65/66/402466566.db2.gz CBNXIDIDQPWHPC-CHWSQXEVSA-N 1 0 310.467 2.056 10 0 DEAERO COc1cccc([C@@H](C)[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)c1 ZINC000164898072 402470150 /nfs/dbraw/zinc/47/01/50/402470150.db2.gz HMSSADFNGIQTHI-PBHICJAKSA-N 1 0 320.433 2.229 10 0 DEAERO O=C(C[N@@H+]1CCCC2(CC2)C1)NCCN1CCc2ccccc21 ZINC000186964098 402474398 /nfs/dbraw/zinc/47/43/98/402474398.db2.gz HQNQLQFQSYIMDL-UHFFFAOYSA-N 1 0 313.445 2.041 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)NC1CCC(C)CC1 ZINC000178286583 402479672 /nfs/dbraw/zinc/47/96/72/402479672.db2.gz PDTLNCHHZVKCCE-PREGVCBESA-N 1 0 318.465 2.351 10 0 DEAERO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C)nc1C)CC2 ZINC000187075719 402481067 /nfs/dbraw/zinc/48/10/67/402481067.db2.gz MQIOWEIVPSSTNZ-IRXDYDNUSA-N 1 0 304.434 2.450 10 0 DEAERO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C)nc1C)CC2 ZINC000187075702 402481121 /nfs/dbraw/zinc/48/11/21/402481121.db2.gz MQIOWEIVPSSTNZ-DLBZAZTESA-N 1 0 304.434 2.450 10 0 DEAERO Cn1c2ccccc2nc1[C@@H](NC(=O)CC[NH3+])c1ccccc1 ZINC000166091919 402481242 /nfs/dbraw/zinc/48/12/42/402481242.db2.gz FVVDEVXLYMXSSC-KRWDZBQOSA-N 1 0 308.385 2.128 10 0 DEAERO Cc1cc(C)n2c(CN3CCS[C@H]4COCC[C@H]43)cnc2n1 ZINC000245725953 402483236 /nfs/dbraw/zinc/48/32/36/402483236.db2.gz DTMZLIKZXJGADI-CABCVRRESA-N 1 0 318.446 2.052 10 0 DEAERO CC(C)[C@@H](C(=O)NCc1ccc(CO)c(F)c1)[NH+]1CCCCC1 ZINC000178313057 402483762 /nfs/dbraw/zinc/48/37/62/402483762.db2.gz XWLFUMUBVUDCBG-KRWDZBQOSA-N 1 0 322.424 2.445 10 0 DEAERO C[C@@H](CC[NH2+]Cc1cncc(Br)c1)[S@@](C)=O ZINC000166506152 402484926 /nfs/dbraw/zinc/48/49/26/402484926.db2.gz PLSSCEYHKHGREX-FVMDXXJSSA-N 1 0 305.241 2.091 10 0 DEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC000245748720 402485483 /nfs/dbraw/zinc/48/54/83/402485483.db2.gz APCFYLQOAKXSDY-XJKSGUPXSA-N 1 0 317.433 2.471 10 0 DEAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCC(C)(C)O2)C1 ZINC000187160214 402485877 /nfs/dbraw/zinc/48/58/77/402485877.db2.gz KHNTVVIEEANISQ-GJZGRUSLSA-N 1 0 311.470 2.221 10 0 DEAERO COCOc1ccc(OC)cc1CN[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245804524 402489149 /nfs/dbraw/zinc/48/91/49/402489149.db2.gz ZZYOJSOPAGWWRQ-RHSMWYFYSA-N 1 0 322.449 2.496 10 0 DEAERO C[C@@H]([NH2+]CCOc1ccc(Br)cc1)[C@H](C)CO ZINC000167117793 402489663 /nfs/dbraw/zinc/48/96/63/402489663.db2.gz IOOUFQZQLCWHRT-GHMZBOCLSA-N 1 0 302.212 2.434 10 0 DEAERO c1ccc(-c2nnc3ccc(N4CC[N@@H+]5CCC[C@H]5C4)nn32)cc1 ZINC000245839917 402490241 /nfs/dbraw/zinc/49/02/41/402490241.db2.gz FQPPHTZOJLJJHQ-HNNXBMFYSA-N 1 0 320.400 2.076 10 0 DEAERO Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000245833198 402490582 /nfs/dbraw/zinc/49/05/82/402490582.db2.gz BFFORYKVJMKNPV-AEFFLSMTSA-N 1 0 315.417 2.305 10 0 DEAERO CCc1ccccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000187290054 402492136 /nfs/dbraw/zinc/49/21/36/402492136.db2.gz KPCAFKSUYWRUNH-HNNXBMFYSA-N 1 0 310.463 2.354 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC(C(=O)OC)CC2)[C@@H](C)C1 ZINC000245904658 402496017 /nfs/dbraw/zinc/49/60/17/402496017.db2.gz SVMWZFOAXQNDMQ-SLTXQBBLSA-N 1 0 324.465 2.155 10 0 DEAERO O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178448173 402500261 /nfs/dbraw/zinc/50/02/61/402500261.db2.gz VDMFLRWSAPNSRG-NRSFXHEJSA-N 1 0 311.429 2.204 10 0 DEAERO CCc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)n(C)n1 ZINC000246021058 402504321 /nfs/dbraw/zinc/50/43/21/402504321.db2.gz MKMORKPGABXOPJ-OCCSQVGLSA-N 1 0 307.442 2.177 10 0 DEAERO Cc1cccc(CS(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246041955 402505562 /nfs/dbraw/zinc/50/55/62/402505562.db2.gz BHWGYCJRQUISCR-GOEBONIOSA-N 1 0 310.463 2.239 10 0 DEAERO C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1CCO ZINC000187651459 402507482 /nfs/dbraw/zinc/50/74/82/402507482.db2.gz UAHXYHAJCYLMRF-LBPRGKRZSA-N 1 0 302.340 2.204 10 0 DEAERO C[C@H]1CN(Cc2csc(Br)c2)CC[N@@H+]1CCO ZINC000187678139 402507638 /nfs/dbraw/zinc/50/76/38/402507638.db2.gz XPEUHIOJUNSRDK-JTQLQIEISA-N 1 0 319.268 2.009 10 0 DEAERO Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCCS(=O)(=O)C3)C2)cc1 ZINC000246095420 402509387 /nfs/dbraw/zinc/50/93/87/402509387.db2.gz XHVPDQVPFARJDG-CVEARBPZSA-N 1 0 322.474 2.131 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)c2ccccc2)C[C@H]1C ZINC000246720780 402541910 /nfs/dbraw/zinc/54/19/10/402541910.db2.gz LJIDPIGLKISMSH-XHSDSOJGSA-N 1 0 304.434 2.094 10 0 DEAERO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000246762286 402543986 /nfs/dbraw/zinc/54/39/86/402543986.db2.gz QCSVAFAALGVPDZ-DMRKSPOLSA-N 1 0 308.466 2.380 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@H]1OC ZINC000246774487 402544364 /nfs/dbraw/zinc/54/43/64/402544364.db2.gz IEZJJMMVFQGHQN-BZUAXINKSA-N 1 0 321.465 2.236 10 0 DEAERO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000246884963 402548434 /nfs/dbraw/zinc/54/84/34/402548434.db2.gz WZGPLDQVBXXPAN-VWYCJHECSA-N 1 0 323.359 2.131 10 0 DEAERO CC(=O)c1ccccc1OCC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000171015463 402549578 /nfs/dbraw/zinc/54/95/78/402549578.db2.gz TWOGKMSLDATKSJ-UHFFFAOYSA-N 1 0 318.417 2.068 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2cccc(F)c2)CC[N@@H+]1C[C@H](C)O ZINC000247695107 402574810 /nfs/dbraw/zinc/57/48/10/402574810.db2.gz WNRMOIWSZVLGPH-SWLSCSKDSA-N 1 0 309.385 2.135 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)CSC1CCOCC1)c1ccccc1 ZINC000178881576 402550330 /nfs/dbraw/zinc/55/03/30/402550330.db2.gz CVVULCUAGMMHFG-INIZCTEOSA-N 1 0 322.474 2.318 10 0 DEAERO COCc1cccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000246957424 402551155 /nfs/dbraw/zinc/55/11/55/402551155.db2.gz DHPPUYMETGGVID-YOEHRIQHSA-N 1 0 317.433 2.211 10 0 DEAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]3OCCC[C@H]3C2)C1 ZINC000246999457 402552638 /nfs/dbraw/zinc/55/26/38/402552638.db2.gz YSSNYUQFGHUVOT-IXDOHACOSA-N 1 0 323.481 2.175 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)Cc2csc(NC(C)=O)n2)[C@@H](C)C1 ZINC000247028987 402554185 /nfs/dbraw/zinc/55/41/85/402554185.db2.gz MQQOSTKGUUIOFP-SMDDNHRTSA-N 1 0 310.467 2.264 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000179139434 402575163 /nfs/dbraw/zinc/57/51/63/402575163.db2.gz LOWCUIFFHMMIGS-UHFFFAOYSA-N 1 0 315.186 2.412 10 0 DEAERO 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ZINC000171810079 402624677 /nfs/dbraw/zinc/62/46/77/402624677.db2.gz GIKXOLSBPZSRNI-NSHDSACASA-N 1 0 305.407 2.180 10 0 DEAERO Cc1nc(CCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)sc1C ZINC000247884290 402577405 /nfs/dbraw/zinc/57/74/05/402577405.db2.gz CMCVHRVPUGVDLT-BXUZGUMPSA-N 1 0 322.478 2.181 10 0 DEAERO C[C@@H](CNC(=O)NCCCc1ccccn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000179170795 402577606 /nfs/dbraw/zinc/57/76/06/402577606.db2.gz WPMAWNCQMFSXBS-CVEARBPZSA-N 1 0 318.465 2.434 10 0 DEAERO CC(C)Oc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000179168858 402577664 /nfs/dbraw/zinc/57/76/64/402577664.db2.gz VVFQTULOPBQTMC-ZFWWWQNUSA-N 1 0 305.422 2.327 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nccc(OC)c1OC ZINC000190909558 402631034 /nfs/dbraw/zinc/63/10/34/402631034.db2.gz HKOBBROTSNNUOC-ZIAGYGMSSA-N 1 0 305.422 2.157 10 0 DEAERO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000181121051 402635998 /nfs/dbraw/zinc/63/59/98/402635998.db2.gz COFDDJQZUFSCQH-KGLIPLIRSA-N 1 0 301.390 2.295 10 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/nfs/dbraw/zinc/64/61/65/402646165.db2.gz YHZZNSJJJRNQTJ-HIFRSBDPSA-N 1 0 303.406 2.151 10 0 DEAERO CO[C@@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[C@@H]1C ZINC000251943397 402651389 /nfs/dbraw/zinc/65/13/89/402651389.db2.gz UVCRLQGKXJFOSB-RRFJBIMHSA-N 1 0 313.486 2.419 10 0 DEAERO C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)C1 ZINC000251927426 402651394 /nfs/dbraw/zinc/65/13/94/402651394.db2.gz XQFQYOZWZRTGJZ-BZUAXINKSA-N 1 0 304.438 2.215 10 0 DEAERO CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000172365028 402652781 /nfs/dbraw/zinc/65/27/81/402652781.db2.gz CDDJPIILEBYDDA-JKSUJKDBSA-N 1 0 323.481 2.110 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)NCc1cccc(Cl)c1 ZINC000191256228 402655086 /nfs/dbraw/zinc/65/50/86/402655086.db2.gz LOEUDWUXDLRFPY-VXGBXAGGSA-N 1 0 310.825 2.190 10 0 DEAERO Cc1ccc(Br)nc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000191264802 402655768 /nfs/dbraw/zinc/65/57/68/402655768.db2.gz GXTISYXVPRHGRM-NSHDSACASA-N 1 0 324.222 2.073 10 0 DEAERO COC(=O)c1ccc(Cl)c(CN2CC[NH+](C3CC3)CC2)c1 ZINC000181898414 402660189 /nfs/dbraw/zinc/66/01/89/402660189.db2.gz GOSDKLGPPVKLEP-UHFFFAOYSA-N 1 0 308.809 2.407 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000192028904 402706662 /nfs/dbraw/zinc/70/66/62/402706662.db2.gz SNNVSJFUMAABIB-CYBMUJFWSA-N 1 0 316.854 2.444 10 0 DEAERO Cn1cc(C[N@@H+]2CCCN(Cc3ccncc3Cl)CC2)cn1 ZINC000173691313 402708544 /nfs/dbraw/zinc/70/85/44/402708544.db2.gz YPDOWAQNKFQDNE-UHFFFAOYSA-N 1 0 319.840 2.176 10 0 DEAERO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccccc2OC)C1 ZINC000173788740 402712949 /nfs/dbraw/zinc/71/29/49/402712949.db2.gz KGNXVTKDWPHJGZ-HNNXBMFYSA-N 1 0 319.449 2.297 10 0 DEAERO CSCCCCNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000173818650 402714209 /nfs/dbraw/zinc/71/42/09/402714209.db2.gz RPYRZOQDMDYONV-CQSZACIVSA-N 1 0 302.484 2.039 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1ccccc1C ZINC000173831265 402714487 /nfs/dbraw/zinc/71/44/87/402714487.db2.gz ZOOGMQUBXBNMFJ-DLBZAZTESA-N 1 0 322.474 2.383 10 0 DEAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)CC2CCCCC2)[C@@H](C)C1 ZINC000173886201 402717171 /nfs/dbraw/zinc/71/71/71/402717171.db2.gz WVZDNLZMOXSLDX-ZFWWWQNUSA-N 1 0 302.484 2.215 10 0 DEAERO Cc1c([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cnn1C(C)(C)C ZINC000191344707 402662632 /nfs/dbraw/zinc/66/26/32/402662632.db2.gz CBBDVMLUNLYIIY-SUMWQHHRSA-N 1 0 309.454 2.386 10 0 DEAERO O=C(c1c(F)cccc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000172747731 402673208 /nfs/dbraw/zinc/67/32/08/402673208.db2.gz NURDSOFCVFQSCC-NSHDSACASA-N 1 0 312.772 2.026 10 0 DEAERO C[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000172765948 402674918 /nfs/dbraw/zinc/67/49/18/402674918.db2.gz YCVCTQVVTBCVMV-OAHLLOKOSA-N 1 0 316.401 2.421 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3ncnn3C1)CCS2 ZINC000191529763 402676722 /nfs/dbraw/zinc/67/67/22/402676722.db2.gz SXZXYVGGKAQBBR-FZMZJTMJSA-N 1 0 316.430 2.428 10 0 DEAERO Cc1ccc(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c(C)c1 ZINC000172804367 402676800 /nfs/dbraw/zinc/67/68/00/402676800.db2.gz QHNITMFSUGZIHE-MRXNPFEDSA-N 1 0 301.434 2.412 10 0 DEAERO CC[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)CCN1CCOC ZINC000182341765 402682255 /nfs/dbraw/zinc/68/22/55/402682255.db2.gz OTLTVZWOJRZHPF-RTBURBONSA-N 1 0 320.477 2.023 10 0 DEAERO O=C(CC[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccccc1 ZINC000182368815 402684743 /nfs/dbraw/zinc/68/47/43/402684743.db2.gz NAKCYDNNHPXFNP-GOSISDBHSA-N 1 0 316.445 2.446 10 0 DEAERO Cc1ccc(/C=C\CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000255382557 402686263 /nfs/dbraw/zinc/68/62/63/402686263.db2.gz ORJVMCIUHFYWFK-OOFWQKGWSA-N 1 0 316.445 2.361 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)CC(=O)OC)[C@H](C)C1 ZINC000182416457 402688236 /nfs/dbraw/zinc/68/82/36/402688236.db2.gz JOTAVQBRTSGBNJ-ZIAGYGMSSA-N 1 0 312.454 2.155 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173215468 402688931 /nfs/dbraw/zinc/68/89/31/402688931.db2.gz ZKDAUBPUQCVBSF-ZENOOKHLSA-N 1 0 320.481 2.157 10 0 DEAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000173268069 402690324 /nfs/dbraw/zinc/69/03/24/402690324.db2.gz MPYVYUDEBYZEBN-IUODEOHRSA-N 1 0 314.426 2.070 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCOc1ccccc1 ZINC000173366261 402694267 /nfs/dbraw/zinc/69/42/67/402694267.db2.gz HVVRCVJFHILKET-JKSUJKDBSA-N 1 0 317.433 2.334 10 0 DEAERO C[C@H](CNC(=O)C/C=C\c1cccc(F)c1)CN1CCOCC1 ZINC000255850107 402696968 /nfs/dbraw/zinc/69/69/68/402696968.db2.gz WOPWDNNOSKEXKA-UYWPIULCSA-N 1 0 320.408 2.314 10 0 DEAERO O=C1[C@@H]([NH2+][C@H](CO)c2ccccc2)CCN1c1ccccc1F ZINC000182904709 402725783 /nfs/dbraw/zinc/72/57/83/402725783.db2.gz PRQAIFCFHKLDGH-JKSUJKDBSA-N 1 0 314.360 2.254 10 0 DEAERO CN(C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc(F)cc1 ZINC000262468424 402726206 /nfs/dbraw/zinc/72/62/06/402726206.db2.gz JBDZXNWZGVPNCI-JKIFEVAISA-N 1 0 306.381 2.321 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1Cc2ccccc2C1 ZINC000262544608 402727372 /nfs/dbraw/zinc/72/73/72/402727372.db2.gz RPCQTKDBGKMILX-RKVPGOIHSA-N 1 0 300.402 2.061 10 0 DEAERO C[C@@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[C@H](C)CO1 ZINC000182935296 402728457 /nfs/dbraw/zinc/72/84/57/402728457.db2.gz DJZRINGNGLTRAV-CHWSQXEVSA-N 1 0 323.412 2.206 10 0 DEAERO CCc1ccc([C@H](COC)NC(=O)N[C@H]2CCC[N@@H+](CC)C2)o1 ZINC000174236552 402733330 /nfs/dbraw/zinc/73/33/30/402733330.db2.gz SPWVCAUDILRVDZ-ZFWWWQNUSA-N 1 0 323.437 2.313 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([S@](C)=O)cc1 ZINC000192529029 402734789 /nfs/dbraw/zinc/73/47/89/402734789.db2.gz JURXFXWJZWNMCR-ASSNKEHSSA-N 1 0 308.447 2.028 10 0 DEAERO CCc1noc(CC)c1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000183604125 402780582 /nfs/dbraw/zinc/78/05/82/402780582.db2.gz GTUVPYOMSICGIF-UHFFFAOYSA-N 1 0 302.378 2.190 10 0 DEAERO C[C@H](C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)N(C)C1CC1 ZINC000192555320 402736971 /nfs/dbraw/zinc/73/69/71/402736971.db2.gz UHTOIDNNWCNQHH-LLVKDONJSA-N 1 0 305.447 2.172 10 0 DEAERO COCc1csc(NC(=O)N2CC[NH+](CC(C)C)CC2)n1 ZINC000174373001 402738474 /nfs/dbraw/zinc/73/84/74/402738474.db2.gz XFIHLQLHDGHGFY-UHFFFAOYSA-N 1 0 312.439 2.095 10 0 DEAERO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2nccn2C)C1 ZINC000183112237 402740179 /nfs/dbraw/zinc/74/01/79/402740179.db2.gz PFEQXECRLGGPFZ-KGLIPLIRSA-N 1 0 300.406 2.358 10 0 DEAERO C[C@H](CCNC(=O)[C@H]1CCCc2n[nH]cc21)[NH+]1CCCCC1 ZINC000183118015 402740483 /nfs/dbraw/zinc/74/04/83/402740483.db2.gz LYHBBHIGPYAJBT-KGLIPLIRSA-N 1 0 304.438 2.210 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N(C)CCCOc1ccccc1)[C@H]1CCCO1 ZINC000183124632 402741274 /nfs/dbraw/zinc/74/12/74/402741274.db2.gz VCPRSCAAYOHKKK-NVXWUHKLSA-N 1 0 320.433 2.071 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)Nc2cnn(CC3CC3)c2)CC[N@@H+]1C ZINC000174452738 402741923 /nfs/dbraw/zinc/74/19/23/402741923.db2.gz ZEQGSBPFACNRPU-SWLSCSKDSA-N 1 0 305.426 2.240 10 0 DEAERO CCCCNC(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183142915 402742766 /nfs/dbraw/zinc/74/27/66/402742766.db2.gz NSUNLYYFWRAOEV-AWEZNQCLSA-N 1 0 300.406 2.439 10 0 DEAERO Cc1cnc([C@@H](C)CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)s1 ZINC000183192978 402746426 /nfs/dbraw/zinc/74/64/26/402746426.db2.gz NPUIRPNOXRHMJG-JSGCOSHPSA-N 1 0 320.462 2.211 10 0 DEAERO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000183215918 402747731 /nfs/dbraw/zinc/74/77/31/402747731.db2.gz WGHSAGDXMPHRRL-NSHDSACASA-N 1 0 321.421 2.076 10 0 DEAERO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccnn1C ZINC000192750837 402747946 /nfs/dbraw/zinc/74/79/46/402747946.db2.gz YYALBOLHORBWST-CQSZACIVSA-N 1 0 312.417 2.376 10 0 DEAERO COc1ccc(F)cc1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192857047 402753709 /nfs/dbraw/zinc/75/37/09/402753709.db2.gz XYPPCHNBTFFKMI-UHFFFAOYSA-N 1 0 306.381 2.325 10 0 DEAERO CCCC[C@H](CC)C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000183613053 402781598 /nfs/dbraw/zinc/78/15/98/402781598.db2.gz HLWDLZPWQOZGDO-HNNXBMFYSA-N 1 0 316.453 2.463 10 0 DEAERO Cc1cccc(CSCc2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263299896 402755698 /nfs/dbraw/zinc/75/56/98/402755698.db2.gz WXROHBBERUIUCC-AWEZNQCLSA-N 1 0 318.446 2.388 10 0 DEAERO C[C@@H](OC1CCCCCC1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263318517 402758300 /nfs/dbraw/zinc/75/83/00/402758300.db2.gz ZVWCKBLWZSXJOO-OCCSQVGLSA-N 1 0 308.426 2.446 10 0 DEAERO COc1ccc([C@@H](C)C[N@H+](CCO)C2CCN(C)CC2)cc1 ZINC000183377868 402761333 /nfs/dbraw/zinc/76/13/33/402761333.db2.gz ABACXDXFHQHBNG-HNNXBMFYSA-N 1 0 306.450 2.187 10 0 DEAERO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C1CCCC1 ZINC000174921882 402763246 /nfs/dbraw/zinc/76/32/46/402763246.db2.gz NSTJDBOLXURPHC-HOCLYGCPSA-N 1 0 311.470 2.317 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2c1OCCO2 ZINC000174962915 402766559 /nfs/dbraw/zinc/76/65/59/402766559.db2.gz SOXVLFSLXKHSQI-ZIAGYGMSSA-N 1 0 316.401 2.157 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOCC(F)(F)F ZINC000174990650 402769688 /nfs/dbraw/zinc/76/96/88/402769688.db2.gz QBBHKJGLAMHHKR-VXGBXAGGSA-N 1 0 308.344 2.041 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(OC)c(F)c1 ZINC000174992849 402769817 /nfs/dbraw/zinc/76/98/17/402769817.db2.gz PJZOBSDJXATSJK-LSDHHAIUSA-N 1 0 320.408 2.462 10 0 DEAERO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000183483817 402770624 /nfs/dbraw/zinc/77/06/24/402770624.db2.gz DMHRKYCZXPBHCI-OAHLLOKOSA-N 1 0 310.463 2.032 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(Cl)cc1F ZINC000193399932 402771109 /nfs/dbraw/zinc/77/11/09/402771109.db2.gz XTEAGIINMUMSMZ-PELKAZGASA-N 1 0 320.817 2.064 10 0 DEAERO Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCCO3)C2)c1 ZINC000183490855 402771216 /nfs/dbraw/zinc/77/12/16/402771216.db2.gz JDRFDINHNDVTDH-WMZOPIPTSA-N 1 0 316.445 2.388 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc(OC)c1 ZINC000175021979 402771827 /nfs/dbraw/zinc/77/18/27/402771827.db2.gz LBQHWEJUUXEISL-JKSUJKDBSA-N 1 0 302.418 2.323 10 0 DEAERO CN(C)c1ccncc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000183690684 402789485 /nfs/dbraw/zinc/78/94/85/402789485.db2.gz 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404426930 /nfs/dbraw/zinc/42/69/30/404426930.db2.gz AVECQTGMZBIZMF-CQSZACIVSA-N 1 0 305.418 2.198 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000364451185 404399717 /nfs/dbraw/zinc/39/97/17/404399717.db2.gz YIAKIECXNSNXOJ-AWEZNQCLSA-N 1 0 303.406 2.179 10 0 DEAERO CNC(=O)c1ccc([C@H]2CCCCN2Cc2ccno2)n1C ZINC000364676283 404495704 /nfs/dbraw/zinc/49/57/04/404495704.db2.gz VTNBJMJSZHVUDT-CQSZACIVSA-N 1 0 302.378 2.100 10 0 DEAERO CC(C)CCc1noc(CN2C[C@]3(CCOC3)OC(C)(C)C2)n1 ZINC000373796011 404591966 /nfs/dbraw/zinc/59/19/66/404591966.db2.gz HBOJXEWODUVOFP-KRWDZBQOSA-N 1 0 323.437 2.428 10 0 DEAERO COC[C@@H]1CCCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000342564953 404653215 /nfs/dbraw/zinc/65/32/15/404653215.db2.gz FXETXYYPGLHUCU-MSOLQXFVSA-N 1 0 307.434 2.313 10 0 DEAERO Cc1nc([C@H](C)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC000330251724 404600710 /nfs/dbraw/zinc/60/07/10/404600710.db2.gz NRIGRMXAVJHSJA-MJBXVCDLSA-N 1 0 322.453 2.260 10 0 DEAERO CC(C)C[C@@H]([NH3+])c1noc(-c2nn(C)cc2Br)n1 ZINC000414612512 404692073 /nfs/dbraw/zinc/69/20/73/404692073.db2.gz DAGSBOQKNVWFMI-MRVPVSSYSA-N 1 0 314.187 2.279 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000375753574 404739290 /nfs/dbraw/zinc/73/92/90/404739290.db2.gz AGMXACQFQCYPQC-ZQDZILKHSA-N 1 0 310.438 2.116 10 0 DEAERO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000365830330 404728005 /nfs/dbraw/zinc/72/80/05/404728005.db2.gz KINHFFPHSNCJSG-INIZCTEOSA-N 1 0 322.416 2.380 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2SC)CC12COC2 ZINC000451138181 404877734 /nfs/dbraw/zinc/87/77/34/404877734.db2.gz QDRFTTZCIRFVIZ-CQSZACIVSA-N 1 0 321.442 2.420 10 0 DEAERO CCn1cc(CCN2CCn3c(C(C)C)nnc3[C@H]2C)cn1 ZINC000367027698 404903572 /nfs/dbraw/zinc/90/35/72/404903572.db2.gz SNLYNPDZYKGQSR-CYBMUJFWSA-N 1 0 302.426 2.237 10 0 DEAERO Cc1scc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000378401712 404953610 /nfs/dbraw/zinc/95/36/10/404953610.db2.gz KRBAYNRFLDJSPU-CQSZACIVSA-N 1 0 321.490 2.263 10 0 DEAERO CC(=O)c1ccc(CC(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000423983924 404960021 /nfs/dbraw/zinc/96/00/21/404960021.db2.gz VVWPWABLBJQGPD-QZTJIDSGSA-N 1 0 314.429 2.422 10 0 DEAERO C/C(=C\c1ccccc1)C[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000367058864 404913729 /nfs/dbraw/zinc/91/37/29/404913729.db2.gz YOHNBQSGYCJZHL-DUVHGLKDSA-N 1 0 314.429 2.459 10 0 DEAERO CC(=O)c1cc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)ccc1F ZINC000415719779 404924748 /nfs/dbraw/zinc/92/47/48/404924748.db2.gz HPONSYRFSLEHIO-GFCCVEGCSA-N 1 0 315.295 2.147 10 0 DEAERO C[C@H](Cc1ccc(O)cc1)NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000361124570 404932310 /nfs/dbraw/zinc/93/23/10/404932310.db2.gz QFFNKMQPMXNTKR-UNEWFSDZSA-N 1 0 317.433 2.059 10 0 DEAERO Cc1cccnc1NC(=O)[C@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000378335733 404932347 /nfs/dbraw/zinc/93/23/47/404932347.db2.gz SKVQNTBTEVMUTD-INIZCTEOSA-N 1 0 315.417 2.387 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379633285 405028391 /nfs/dbraw/zinc/02/83/91/405028391.db2.gz TZPIHGKBOJFGJW-RBUKOAKNSA-N 1 0 320.477 2.417 10 0 DEAERO CC(C)[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000367381385 405031826 /nfs/dbraw/zinc/03/18/26/405031826.db2.gz IXHUTNDAYKYTRZ-MRXNPFEDSA-N 1 0 308.397 2.493 10 0 DEAERO C[C@H](NC(=O)c1ncccc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383686769 405032108 /nfs/dbraw/zinc/03/21/08/405032108.db2.gz PVHFYMVCOWGAFJ-GOEBONIOSA-N 1 0 324.428 2.304 10 0 DEAERO Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)n1 ZINC000451419069 404987498 /nfs/dbraw/zinc/98/74/98/404987498.db2.gz KMAKADPPDFPNGX-YNEHKIRRSA-N 1 0 309.435 2.015 10 0 DEAERO O[C@H](CC1CCCC1)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408041273 405096964 /nfs/dbraw/zinc/09/69/64/405096964.db2.gz BXNLTTVMFJIDFF-XDNAFOTISA-N 1 0 311.466 2.180 10 0 DEAERO Brc1cc2c(c(C[NH2+]C[C@@H]3[C@H]4COC[C@H]43)c1)OCC2 ZINC000367571528 405087893 /nfs/dbraw/zinc/08/78/93/405087893.db2.gz BEHNGANUBMYULV-ZSOGYDGISA-N 1 0 324.218 2.366 10 0 DEAERO Cc1cc(=O)[nH]c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000408014030 405090351 /nfs/dbraw/zinc/09/03/51/405090351.db2.gz QIFBJOHJPGSQMK-UHFFFAOYSA-N 1 0 303.406 2.186 10 0 DEAERO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000408072401 405104981 /nfs/dbraw/zinc/10/49/81/405104981.db2.gz SDAUFWWBOFIBTQ-CABCVRRESA-N 1 0 302.484 2.407 10 0 DEAERO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361588003 405148236 /nfs/dbraw/zinc/14/82/36/405148236.db2.gz DBTDZFIUCVUKJI-PKOBYXMFSA-N 1 0 317.429 2.255 10 0 DEAERO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2nnc3n2CCCC3)C1 ZINC000408352801 405183549 /nfs/dbraw/zinc/18/35/49/405183549.db2.gz VCODOZUDELWXOO-CXAGYDPISA-N 1 0 306.454 2.281 10 0 DEAERO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C)(O)CC1 ZINC000408421877 405203242 /nfs/dbraw/zinc/20/32/42/405203242.db2.gz OBINGAMORRKHHE-OAHLLOKOSA-N 1 0 311.470 2.053 10 0 DEAERO COC1([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)CCOCC1 ZINC000453100271 405284004 /nfs/dbraw/zinc/28/40/04/405284004.db2.gz RGZKWEMULGHKTO-DOTOQJQBSA-N 1 0 307.434 2.011 10 0 DEAERO O=C(C/C=C\c1cccc(F)c1)NCC[N@@H+]1CCCOCC1 ZINC000438685199 405253769 /nfs/dbraw/zinc/25/37/69/405253769.db2.gz ALQUEXIFAIMHDH-DJWKRKHSSA-N 1 0 306.381 2.068 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C(=O)OCC)n(C)c1 ZINC000440576664 405318396 /nfs/dbraw/zinc/31/83/96/405318396.db2.gz NNVNANXZNURALA-CYBMUJFWSA-N 1 0 307.394 2.015 10 0 DEAERO Cc1cccn2c(=O)cc(C[NH2+]C3(CCO)CCCCC3)nc12 ZINC000440906987 405330295 /nfs/dbraw/zinc/33/02/95/405330295.db2.gz IVCBPRROFIMFNK-UHFFFAOYSA-N 1 0 315.417 2.178 10 0 DEAERO c1nc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000420378021 405337870 /nfs/dbraw/zinc/33/78/70/405337870.db2.gz AWZBFRCBHPTAAF-RDJZCZTQSA-N 1 0 311.433 2.231 10 0 DEAERO CN(C)c1ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)cn1 ZINC000454459774 405348176 /nfs/dbraw/zinc/34/81/76/405348176.db2.gz DTHITBDPIATQIM-UHFFFAOYSA-N 1 0 307.442 2.390 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CCc3ncsc3C2)CC1 ZINC000445970720 405363851 /nfs/dbraw/zinc/36/38/51/405363851.db2.gz GYDSWRJWWGZIOW-UHFFFAOYSA-N 1 0 322.478 2.333 10 0 DEAERO CN(C[C@H]1CC=CCC1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000455663396 405441953 /nfs/dbraw/zinc/44/19/53/405441953.db2.gz XNFNCIJRPYVIBU-AWEZNQCLSA-N 1 0 305.426 2.265 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)c1csc(C(F)(F)F)c1 ZINC000638593735 405561838 /nfs/dbraw/zinc/56/18/38/405561838.db2.gz IMELRWSWKMWXRR-UHFFFAOYSA-N 1 0 310.341 2.075 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)CC12COC2 ZINC000449365805 405526625 /nfs/dbraw/zinc/52/66/25/405526625.db2.gz QIYFBMGALXEIRE-INIZCTEOSA-N 1 0 303.402 2.315 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)CC12COC2 ZINC000449367609 405529473 /nfs/dbraw/zinc/52/94/73/405529473.db2.gz XJTRWVHQMNZUCW-BBWFWOEESA-N 1 0 315.413 2.302 10 0 DEAERO CSc1ccc(Cl)c(C(=O)NCC2([NH3+])CCOCC2)c1 ZINC000638534393 405533182 /nfs/dbraw/zinc/53/31/82/405533182.db2.gz ANFPJSZOLGRRNS-UHFFFAOYSA-N 1 0 314.838 2.300 10 0 DEAERO [NH3+]C1(CNC(=O)c2c(Cl)cccc2Cl)CCOCC1 ZINC000638534873 405533495 /nfs/dbraw/zinc/53/34/95/405533495.db2.gz HZOHROCJTBLYEO-UHFFFAOYSA-N 1 0 303.189 2.231 10 0 DEAERO [NH3+]C1(CNC(=O)c2csc(C(F)(F)F)c2)CCOCC1 ZINC000638540124 405536036 /nfs/dbraw/zinc/53/60/36/405536036.db2.gz BUMVPFQUVVRTCQ-UHFFFAOYSA-N 1 0 308.325 2.005 10 0 DEAERO Cc1nc(C[NH2+][C@@H]2CN(C)C[C@H]2C)sc1Br ZINC000449404366 405547916 /nfs/dbraw/zinc/54/79/16/405547916.db2.gz ZHSOQNLHTXUTJU-VXNVDRBHSA-N 1 0 304.257 2.254 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(Br)ccc1O ZINC000638572765 405552508 /nfs/dbraw/zinc/55/25/08/405552508.db2.gz XSGSOGJBTRQEHN-WDEREUQCSA-N 1 0 313.195 2.025 10 0 DEAERO [NH3+]CC1(NC(=O)c2ccc(Cl)cc2Cl)CCOCC1 ZINC000638637192 405585604 /nfs/dbraw/zinc/58/56/04/405585604.db2.gz NUSDLHLAVZYKQB-UHFFFAOYSA-N 1 0 303.189 2.231 10 0 DEAERO [NH3+]CC1(NC(=O)c2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000638637776 405586842 /nfs/dbraw/zinc/58/68/42/405586842.db2.gz VIUBXBBVXAZNOS-UHFFFAOYSA-N 1 0 303.189 2.231 10 0 DEAERO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000449616967 405641460 /nfs/dbraw/zinc/64/14/60/405641460.db2.gz FWECCPZZNYEZSF-MRXNPFEDSA-N 1 0 300.406 2.250 10 0 DEAERO CC(=O)c1ccc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)nc1C ZINC000431814722 405678324 /nfs/dbraw/zinc/67/83/24/405678324.db2.gz TYIQITYVLYSPRI-INIZCTEOSA-N 1 0 317.433 2.473 10 0 DEAERO CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCCCC[C@H]([NH3+])C2)c1 ZINC000638816105 405688793 /nfs/dbraw/zinc/68/87/93/405688793.db2.gz BBORYWBSCZQUFW-HOCLYGCPSA-N 1 0 318.417 2.386 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c1C ZINC000636087322 405728256 /nfs/dbraw/zinc/72/82/56/405728256.db2.gz OUQKKFDCRJPTBA-STQMWFEESA-N 1 0 305.422 2.293 10 0 DEAERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000638890616 405743611 /nfs/dbraw/zinc/74/36/11/405743611.db2.gz FFEGSJSQYOHBHX-PWSUYJOCSA-N 1 0 311.223 2.424 10 0 DEAERO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2ncccn2)cc1 ZINC000583622083 405778297 /nfs/dbraw/zinc/77/82/97/405778297.db2.gz KJXOGYNHZHNMAZ-SJLPKXTDSA-N 1 0 313.401 2.357 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(c2c[nH]nc2C)CC1 ZINC000560813264 405870756 /nfs/dbraw/zinc/87/07/56/405870756.db2.gz JERKDYYXYSKVFP-MRXNPFEDSA-N 1 0 304.438 2.299 10 0 DEAERO CCn1nncc1CN(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459372912 405876269 /nfs/dbraw/zinc/87/62/69/405876269.db2.gz ZYQJFJNKJDWHJP-KRWDZBQOSA-N 1 0 313.449 2.394 10 0 DEAERO CCn1nncc1CN1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000459371706 405876733 /nfs/dbraw/zinc/87/67/33/405876733.db2.gz KBAFTICGCBHOLG-CVEARBPZSA-N 1 0 313.449 2.393 10 0 DEAERO CO[C@@]1(C[NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CCOC1 ZINC000639072795 405861896 /nfs/dbraw/zinc/86/18/96/405861896.db2.gz ZTGVQJDRJGVFDV-RTBURBONSA-N 1 0 318.461 2.436 10 0 DEAERO CC[C@H](C[NH2+]Cc1snc(OC)c1Br)OC ZINC000639195654 405961472 /nfs/dbraw/zinc/96/14/72/405961472.db2.gz VEODFCXMJIRSMD-SSDOTTSWSA-N 1 0 309.229 2.429 10 0 DEAERO COCCOC[C@H](O)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000450460032 405911213 /nfs/dbraw/zinc/91/12/13/405911213.db2.gz ZAUPXVYFJKJQTN-NUEKZKHPSA-N 1 0 311.422 2.385 10 0 DEAERO c1nc(C[NH2+]C[C@H]2CC23CCSCC3)cc2c1OCCO2 ZINC000639274005 406014847 /nfs/dbraw/zinc/01/48/47/406014847.db2.gz ULOBJZZDKJCXQH-GFCCVEGCSA-N 1 0 306.431 2.476 10 0 DEAERO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459729029 406023042 /nfs/dbraw/zinc/02/30/42/406023042.db2.gz ZWHYIVBBUIKVLY-HUBLWGQQSA-N 1 0 308.813 2.074 10 0 DEAERO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCC(C2CCOCC2)CC1 ZINC000562370920 405995976 /nfs/dbraw/zinc/99/59/76/405995976.db2.gz MZBFADFSDWULAA-KRWDZBQOSA-N 1 0 306.450 2.278 10 0 DEAERO Cc1ccc2[nH]c(C[NH2+]C3CCN(c4cnccn4)CC3)nc2c1 ZINC000531728608 405999222 /nfs/dbraw/zinc/99/92/22/405999222.db2.gz BZKUQXRFSCUBNJ-UHFFFAOYSA-N 1 0 322.416 2.420 10 0 DEAERO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459685930 406006619 /nfs/dbraw/zinc/00/66/19/406006619.db2.gz ANFKPBBNCBYXJM-DLBZAZTESA-N 1 0 302.422 2.030 10 0 DEAERO c1c(C[N@@H+]2CCSC3(CCC3)CC2)nnn1C[C@H]1CCOC1 ZINC000639262134 406008638 /nfs/dbraw/zinc/00/86/38/406008638.db2.gz VPTDQXFIROKRJA-CQSZACIVSA-N 1 0 322.478 2.176 10 0 DEAERO CCc1ncc(C[NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)cn1 ZINC000516258105 406089321 /nfs/dbraw/zinc/08/93/21/406089321.db2.gz JYHMGVIMPJSOSR-CQSZACIVSA-N 1 0 302.422 2.062 10 0 DEAERO C(=C\c1ccccc1)\CN1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639446683 406092932 /nfs/dbraw/zinc/09/29/32/406092932.db2.gz HYCPOESRLLMHQO-GINYUPMKSA-N 1 0 323.444 2.096 10 0 DEAERO c1cc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)sn1 ZINC000639387469 406076050 /nfs/dbraw/zinc/07/60/50/406076050.db2.gz RTYRZNWWFDVIAO-UHFFFAOYSA-N 1 0 306.460 2.381 10 0 DEAERO C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1nc(CC2CC2)no1 ZINC000639614001 406169397 /nfs/dbraw/zinc/16/93/97/406169397.db2.gz WJBRKQFPOZEEKA-WQVCFCJDSA-N 1 0 303.406 2.459 10 0 DEAERO CC[N@H+](CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C)C1CC1 ZINC000471816323 406121486 /nfs/dbraw/zinc/12/14/86/406121486.db2.gz NCQUKIXGMWDAPL-JQWIXIFHSA-N 1 0 307.360 2.453 10 0 DEAERO Cc1ccccc1CCNC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000474262642 406143734 /nfs/dbraw/zinc/14/37/34/406143734.db2.gz FIGSBKNHNRAVSH-UHFFFAOYSA-N 1 0 318.461 2.329 10 0 DEAERO c1nc2n(n1)[C@@H](CN1CCC([NH2+]Cc3ccccc3)CC1)CC2 ZINC000639661358 406195362 /nfs/dbraw/zinc/19/53/62/406195362.db2.gz SYTKTYKOOGOSMT-QGZVFWFLSA-N 1 0 311.433 2.020 10 0 DEAERO O[C@@]1(C[NH2+]CC[C@@H]2CC2(F)F)CCN(Cc2ccccc2)C1 ZINC000634722371 406246595 /nfs/dbraw/zinc/24/65/95/406246595.db2.gz OCAYZGMZXQFPNW-HZPDHXFCSA-N 1 0 310.388 2.258 10 0 DEAERO CCOC[C@H](O)C[NH2+][C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000634724962 406248591 /nfs/dbraw/zinc/24/85/91/406248591.db2.gz BRUNCQQEWIFUKY-RTBURBONSA-N 1 0 320.477 2.418 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000537214343 406286661 /nfs/dbraw/zinc/28/66/61/406286661.db2.gz YYYKQAKWZZAYGN-UHFFFAOYSA-N 1 0 310.442 2.100 10 0 DEAERO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000488800848 406349621 /nfs/dbraw/zinc/34/96/21/406349621.db2.gz FHRZSBGEGBSFEJ-XZKMEQPCSA-N 1 0 319.445 2.144 10 0 DEAERO c1ccc(CCCO[C@H]2CCN(CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000634994465 406389399 /nfs/dbraw/zinc/38/93/99/406389399.db2.gz DRWWZUIGQXWUET-XBMUEBEBSA-N 1 0 300.446 2.462 10 0 DEAERO CCC1(CC)C[N@H+](C[C@@H](O)COC[C@H]2CCCO2)CCS1 ZINC000547337530 406399834 /nfs/dbraw/zinc/39/98/34/406399834.db2.gz WHMLZCFPNTVOAC-HUUCEWRRSA-N 1 0 317.495 2.151 10 0 DEAERO CCNC(=O)N1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000548034291 406470665 /nfs/dbraw/zinc/47/06/65/406470665.db2.gz UKRYHAMDUYLNOP-CYBMUJFWSA-N 1 0 319.434 2.032 10 0 DEAERO C[C@@H](NC(=O)[C@]1(C[NH3+])CCCOC1)c1ccc(Cl)s1 ZINC000637919610 406478393 /nfs/dbraw/zinc/47/83/93/406478393.db2.gz LROYXHDLMVRDGH-RNCFNFMXSA-N 1 0 302.827 2.334 10 0 DEAERO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)Cn1ncc2ccccc21 ZINC000548126987 406483369 /nfs/dbraw/zinc/48/33/69/406483369.db2.gz SCYFJYKIZKRCBN-MRXNPFEDSA-N 1 0 314.433 2.369 10 0 DEAERO Cc1cc(C[C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)[nH]n1 ZINC000547736678 406439749 /nfs/dbraw/zinc/43/97/49/406439749.db2.gz WYEQVKJHZCCEEU-ZDUSSCGKSA-N 1 0 306.454 2.420 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2(C)C)c2ccccc21 ZINC000571261064 406497727 /nfs/dbraw/zinc/49/77/27/406497727.db2.gz SQKNCFRALDRFJE-GOEBONIOSA-N 1 0 315.417 2.131 10 0 DEAERO Cc1cc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)sn1 ZINC000638090060 406564821 /nfs/dbraw/zinc/56/48/21/406564821.db2.gz AWRSKSOJQCURKQ-UHFFFAOYSA-N 1 0 315.442 2.471 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000637987945 406510932 /nfs/dbraw/zinc/51/09/32/406510932.db2.gz UYCMPXPJCUIVJA-DJIMGWMZSA-N 1 0 303.450 2.141 10 0 DEAERO c1cnn(C2CC([NH2+]Cc3ccccc3Cn3cncn3)C2)c1 ZINC000638270443 406661719 /nfs/dbraw/zinc/66/17/19/406661719.db2.gz FPNBHZUBPCGERT-UHFFFAOYSA-N 1 0 308.389 2.016 10 0 DEAERO Cc1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)ccn1 ZINC000527631221 406696850 /nfs/dbraw/zinc/69/68/50/406696850.db2.gz KMEGBZYJHTYPDM-LJQANCHMSA-N 1 0 311.429 2.381 10 0 DEAERO O[C@H]1[C@H](C[NH2+]Cc2ccc3[nH]cnc3c2)CCC12CCOCC2 ZINC000554937454 406829674 /nfs/dbraw/zinc/82/96/74/406829674.db2.gz ISUSBUUOZWQYCB-YOEHRIQHSA-N 1 0 315.417 2.220 10 0 DEAERO COC[C@@]1(C(=O)Nc2ccc(Br)cc2)CCC[NH2+]1 ZINC000643613887 407016743 /nfs/dbraw/zinc/01/67/43/407016743.db2.gz GAMHCVNJXXCPCO-CYBMUJFWSA-N 1 0 313.195 2.156 10 0 DEAERO CC(C)[C@@H](CNC(=O)NCCOCC1CCC1)[NH+]1CCCC1 ZINC000570256471 292472160 /nfs/dbraw/zinc/47/21/60/292472160.db2.gz BZGZVRQXMDOWPO-MRXNPFEDSA-N 1 0 311.470 2.223 10 0 DEAERO CC[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000174613865 287129486 /nfs/dbraw/zinc/12/94/86/287129486.db2.gz CKJLYGKWJOMYIO-NVXWUHKLSA-N 1 0 316.445 2.022 10 0 DEAERO CC[NH+]1CCC(CNC(=O)N[C@H](COC)c2ccccc2)CC1 ZINC000571422845 292548913 /nfs/dbraw/zinc/54/89/13/292548913.db2.gz UFTIWPCENGYNKA-QGZVFWFLSA-N 1 0 319.449 2.405 10 0 DEAERO CN(c1ccccc1S(=O)(=O)C(F)(F)F)C(C)(C)C[NH3+] ZINC000128884522 196000938 /nfs/dbraw/zinc/00/09/38/196000938.db2.gz LFVYEXDDLLKEEK-UHFFFAOYSA-N 1 0 310.341 2.154 10 0 DEAERO [NH3+]CCc1cc(OCc2ncccn2)ccc1Br ZINC000129194115 196027470 /nfs/dbraw/zinc/02/74/70/196027470.db2.gz SATGFOIJLVOKHA-UHFFFAOYSA-N 1 0 308.179 2.319 10 0 DEAERO NC1=[NH+]C[C@H]([C@H]2CCCO2)N1c1ccc(Br)cc1 ZINC000129272483 196034591 /nfs/dbraw/zinc/03/45/91/196034591.db2.gz FYSCCSQKSLGYOA-VXGBXAGGSA-N 1 0 310.195 2.131 10 0 DEAERO COC(=O)[C@H](C)Oc1ccc(Br)c(C[C@H](C)[NH3+])c1 ZINC000129361837 196042223 /nfs/dbraw/zinc/04/22/23/196042223.db2.gz BSJSYVKKIKMCNR-IUCAKERBSA-N 1 0 316.195 2.279 10 0 DEAERO CCOC(=O)c1c(NC(=O)[C@@H](C)CC[NH3+])sc2c1CCC2 ZINC000129431197 196048027 /nfs/dbraw/zinc/04/80/27/196048027.db2.gz BVTZJZPJLLDQNH-VIFPVBQESA-N 1 0 310.419 2.337 10 0 DEAERO CN1CCO[C@H](C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000129457921 196050628 /nfs/dbraw/zinc/05/06/28/196050628.db2.gz VESVACWWVIOEGK-CYBMUJFWSA-N 1 0 306.303 2.265 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000129555590 196057340 /nfs/dbraw/zinc/05/73/40/196057340.db2.gz ZHJOOEMHKWSNHG-SNVBAGLBSA-N 1 0 300.200 2.464 10 0 DEAERO Cc1cc([C@H](C)NC(=O)C(C)(C)N2CC[NH2+]CC2)c(C)s1 ZINC000129617614 196062683 /nfs/dbraw/zinc/06/26/83/196062683.db2.gz KOGMGYIGSMKKNL-LBPRGKRZSA-N 1 0 309.479 2.226 10 0 DEAERO CC(C)(C[NH2+][C@H]1CCc2sc(Cl)cc21)NS(C)(=O)=O ZINC000129666903 196066028 /nfs/dbraw/zinc/06/60/28/196066028.db2.gz SSMWVMCTKIASTL-VIFPVBQESA-N 1 0 322.883 2.306 10 0 DEAERO CCOCc1nc(Cl)cc(N2CCC(C[NH+](C)C)CC2)n1 ZINC000129877824 196082582 /nfs/dbraw/zinc/08/25/82/196082582.db2.gz UOKSBZZARDRJMP-UHFFFAOYSA-N 1 0 312.845 2.445 10 0 DEAERO CC[N@@H+]1CC[C@H](CNc2nc(NC)ncc2Br)C1 ZINC000129891116 196083067 /nfs/dbraw/zinc/08/30/67/196083067.db2.gz RLJLYANEYMRVEN-SECBINFHSA-N 1 0 314.231 2.035 10 0 DEAERO COc1ccc(C(N)=S)cc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000130555065 196090230 /nfs/dbraw/zinc/09/02/30/196090230.db2.gz FYEYQCHCHQAHOD-CQSZACIVSA-N 1 0 308.447 2.066 10 0 DEAERO COCC[N@@H+](Cc1cc(C(N)=S)ccc1OC)CC(C)C ZINC000130587435 196093462 /nfs/dbraw/zinc/09/34/62/196093462.db2.gz VYLARPAXOVGGCM-UHFFFAOYSA-N 1 0 310.463 2.434 10 0 DEAERO [NH3+]C1CCN([C@@H]2CCN(Cc3c(F)cccc3Cl)C2)CC1 ZINC000130602438 196094171 /nfs/dbraw/zinc/09/41/71/196094171.db2.gz CRSUIFRIMQAJBV-CYBMUJFWSA-N 1 0 311.832 2.477 10 0 DEAERO COc1ccc(C(N)=[NH2+])c(Sc2nnc(N(C)C)s2)c1 ZINC000130871645 196118255 /nfs/dbraw/zinc/11/82/55/196118255.db2.gz WEACMNNTECWTIC-UHFFFAOYSA-N 1 0 309.420 2.048 10 0 DEAERO C[NH2+]Cc1ccc(CS(=O)(=O)c2cc(F)ccc2F)o1 ZINC000130905472 196120390 /nfs/dbraw/zinc/12/03/90/196120390.db2.gz GOIJPQWDTJITBY-UHFFFAOYSA-N 1 0 301.314 2.251 10 0 DEAERO CCc1nsc(Sc2ccc3c(c2)NC(=O)[C@@H]3[NH2+]C)n1 ZINC000130948704 196124604 /nfs/dbraw/zinc/12/46/04/196124604.db2.gz NHAGUDBHEZACMF-LLVKDONJSA-N 1 0 306.416 2.464 10 0 DEAERO CC1(C)CC(NS(=O)(=O)[C@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000131069264 196137074 /nfs/dbraw/zinc/13/70/74/196137074.db2.gz ZHKZXMRPWHWKLI-ZDUSSCGKSA-N 1 0 302.484 2.263 10 0 DEAERO CNC(=O)[C@@H](CC(C)C)[NH2+]Cc1cccc(Br)n1 ZINC000131088075 196138401 /nfs/dbraw/zinc/13/84/01/196138401.db2.gz QIYMEELRALJAMV-LLVKDONJSA-N 1 0 314.227 2.094 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)Cc1ccc(F)c(F)c1 ZINC000131161326 196145236 /nfs/dbraw/zinc/14/52/36/196145236.db2.gz GARHXQXTEUOEGK-LBPRGKRZSA-N 1 0 305.390 2.310 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)N2CCOC3(CCC3)C2)CC1 ZINC000131187781 196148468 /nfs/dbraw/zinc/14/84/68/196148468.db2.gz ADOBJQOWFMHQKQ-UHFFFAOYSA-N 1 0 309.454 2.071 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000131188624 196148981 /nfs/dbraw/zinc/14/89/81/196148981.db2.gz JKDCTICEGMLQPN-NSHDSACASA-N 1 0 311.325 2.410 10 0 DEAERO CCc1ccc(S(=O)(=O)NCCCC(F)(F)F)cc1C[NH3+] ZINC000131220484 196151559 /nfs/dbraw/zinc/15/15/59/196151559.db2.gz XNTZZWRXDZFNEC-UHFFFAOYSA-N 1 0 324.368 2.329 10 0 DEAERO CCc1ccc(CCC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)cc1 ZINC000131257114 196154019 /nfs/dbraw/zinc/15/40/19/196154019.db2.gz NUBAIQUCVVLWBK-SFHVURJKSA-N 1 0 318.461 2.097 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1cc(F)ccc1Br ZINC000131322849 196160237 /nfs/dbraw/zinc/16/02/37/196160237.db2.gz KPRFPYCPQXWTOS-LLVKDONJSA-N 1 0 324.215 2.413 10 0 DEAERO C[S@](=O)CC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000131358888 196161568 /nfs/dbraw/zinc/16/15/68/196161568.db2.gz DBCHLFINULGBTP-APPDUMDISA-N 1 0 318.236 2.241 10 0 DEAERO CCN1C(=[NH2+])NC[C@@]1(C)c1cc(Br)ccc1F ZINC000131357285 196161963 /nfs/dbraw/zinc/16/19/63/196161963.db2.gz OJONNGQGGLVNOA-LBPRGKRZSA-N 1 0 300.175 2.454 10 0 DEAERO C[NH2+][C@H](c1ncccc1F)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000131547783 196178355 /nfs/dbraw/zinc/17/83/55/196178355.db2.gz GYAPQBMIGZPOMF-MDZLAQPJSA-N 1 0 300.399 2.085 10 0 DEAERO [NH3+]CC1(CNS(=O)(=O)c2cccc(F)c2)CCCCC1 ZINC000131564923 196180207 /nfs/dbraw/zinc/18/02/07/196180207.db2.gz ACXFKERCPKBHQR-UHFFFAOYSA-N 1 0 300.399 2.013 10 0 DEAERO CCCCC[C@@](C)(C[NH3+])N1CCSC[C@@H]1S(=O)(=O)CC ZINC000131627965 196185128 /nfs/dbraw/zinc/18/51/28/196185128.db2.gz FRXLNUIRSXVHQD-KBPBESRZSA-N 1 0 322.540 2.094 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)c2cc(C[NH3+])ccc2Cl)C[C@@H]1C ZINC000131762969 196197162 /nfs/dbraw/zinc/19/71/62/196197162.db2.gz VBGFXUHJGODTNB-MNOVXSKESA-N 1 0 316.854 2.465 10 0 DEAERO O=S(=O)(c1ccccc1NC[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000131913859 196210234 /nfs/dbraw/zinc/21/02/34/196210234.db2.gz GYZFRVVRJDGKNJ-VIFPVBQESA-N 1 0 308.325 2.002 10 0 DEAERO CCC[NH2+][C@H](C)Cc1ccc(OCCCS(C)(=O)=O)cc1 ZINC000132091223 196225965 /nfs/dbraw/zinc/22/59/65/196225965.db2.gz MZMHSEXCKQMDHI-CQSZACIVSA-N 1 0 313.463 2.431 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1[C@H](O)C1CCCC1 ZINC000132131135 196228717 /nfs/dbraw/zinc/22/87/17/196228717.db2.gz KZURTXYOZQOAQC-CYBMUJFWSA-N 1 0 316.243 2.431 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000132460512 196257608 /nfs/dbraw/zinc/25/76/08/196257608.db2.gz VPQIRPRXFLMFEB-ZJUUUORDSA-N 1 0 322.352 2.154 10 0 DEAERO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCc2n[nH]cc21 ZINC000132638209 196272471 /nfs/dbraw/zinc/27/24/71/196272471.db2.gz JSGNFUZMTYCPLT-INIZCTEOSA-N 1 0 324.428 2.004 10 0 DEAERO C[C@H]1C[NH2+]C[C@@H](COCc2ccccc2Br)O1 ZINC000132652379 196273760 /nfs/dbraw/zinc/27/37/60/196273760.db2.gz ONRYMLJRROIMAD-JQWIXIFHSA-N 1 0 300.196 2.343 10 0 DEAERO C[C@H]1C[NH2+]C[C@H](COCc2ccc(Br)cc2)O1 ZINC000132682820 196275582 /nfs/dbraw/zinc/27/55/82/196275582.db2.gz OFZMUOSBSLYQQL-GXFFZTMASA-N 1 0 300.196 2.343 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC000132803588 196285149 /nfs/dbraw/zinc/28/51/49/196285149.db2.gz MUHDRPMEIXNVEQ-ZBFHGGJFSA-N 1 0 309.454 2.070 10 0 DEAERO CC(C)(CNC(=O)N1CC[C@@H]2OCCC[C@H]2C1)[NH+]1CCCCC1 ZINC000132808156 196286100 /nfs/dbraw/zinc/28/61/00/196286100.db2.gz RVHVAIIUTSRLRR-HOTGVXAUSA-N 1 0 323.481 2.461 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000177682012 287269798 /nfs/dbraw/zinc/26/97/98/287269798.db2.gz AMJFGYXVTPPNLM-KLHDSHLOSA-N 1 0 309.454 2.118 10 0 DEAERO CC(C)C[N@H+](CC(N)=O)Cc1ccc(O)c(Br)c1 ZINC000132900815 196294688 /nfs/dbraw/zinc/29/46/88/196294688.db2.gz PACMUGUUTHULEG-UHFFFAOYSA-N 1 0 315.211 2.098 10 0 DEAERO O[C@@H](Cc1cc(F)ccc1Br)C1CC[NH2+]CC1 ZINC000133030213 196305939 /nfs/dbraw/zinc/30/59/39/196305939.db2.gz SZUHPFGVYSZUHH-ZDUSSCGKSA-N 1 0 302.187 2.491 10 0 DEAERO C[C@@H]([NH3+])CCCC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000133099357 196311770 /nfs/dbraw/zinc/31/17/70/196311770.db2.gz LEMXQPTUQZCAGC-SNVBAGLBSA-N 1 0 311.813 2.498 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(F)c1Br ZINC000133144108 196315161 /nfs/dbraw/zinc/31/51/61/196315161.db2.gz JYCBISFXKFFAAM-VIFPVBQESA-N 1 0 315.186 2.412 10 0 DEAERO CCOC(=O)c1csc(N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)n1 ZINC000133161435 196317324 /nfs/dbraw/zinc/31/73/24/196317324.db2.gz SJTCVIQCISHYJZ-NWDGAFQWSA-N 1 0 309.435 2.383 10 0 DEAERO C[NH2+][C@@H](Cc1cc(C)ccc1OC)[C@H]1CCCCS1(=O)=O ZINC000133307122 196329348 /nfs/dbraw/zinc/32/93/48/196329348.db2.gz KYGICFOWIPPZCC-GOEBONIOSA-N 1 0 311.447 2.101 10 0 DEAERO C[C@](C[NH3+])(Nc1ccc(C(F)(F)F)cc1C(N)=O)C1CC1 ZINC000133797433 196336896 /nfs/dbraw/zinc/33/68/96/196336896.db2.gz JQPUXDCBDBSMOJ-CYBMUJFWSA-N 1 0 301.312 2.344 10 0 DEAERO CC[NH2+]Cc1c(N2CCCCC[C@@H]2CO)nc2sccn12 ZINC000133862366 196341034 /nfs/dbraw/zinc/34/10/34/196341034.db2.gz LXNLRJGNQBGRCL-GFCCVEGCSA-N 1 0 308.451 2.247 10 0 DEAERO C[C@](C[NH3+])(NS(=O)(=O)c1ccc2ccccc2c1)C1CC1 ZINC000133755493 196334100 /nfs/dbraw/zinc/33/41/00/196334100.db2.gz QWIDALSOBQHGJY-MRXNPFEDSA-N 1 0 304.415 2.246 10 0 DEAERO COCCn1ncc(Cl)c1[C@@H]([NH3+])c1ccc2c(c1)COC2 ZINC000134027101 196354766 /nfs/dbraw/zinc/35/47/66/196354766.db2.gz XTXVGWBGJSGYIO-AWEZNQCLSA-N 1 0 307.781 2.261 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)C[C@H](C)OC ZINC000134459928 196392836 /nfs/dbraw/zinc/39/28/36/196392836.db2.gz CWXKAIMMKKIOOQ-WCBMZHEXSA-N 1 0 304.232 2.047 10 0 DEAERO CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000134946707 196434306 /nfs/dbraw/zinc/43/43/06/196434306.db2.gz VGBJNGYDQCNSNU-UHFFFAOYSA-N 1 0 323.824 2.465 10 0 DEAERO C[NH2+][C@H](Cc1ccccc1Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000136022257 196515494 /nfs/dbraw/zinc/51/54/94/196515494.db2.gz FBAKSRPBIYHRPP-AAEUAGOBSA-N 1 0 301.839 2.295 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1Oc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000136418635 196536327 /nfs/dbraw/zinc/53/63/27/196536327.db2.gz COYXESMVMLZTSJ-QWRGUYRKSA-N 1 0 309.309 2.239 10 0 DEAERO NC(=O)c1ccc(O[C@@H]2CCCC[C@H]2[NH3+])cc1C(F)(F)F ZINC000136489456 196539001 /nfs/dbraw/zinc/53/90/01/196539001.db2.gz MCZKFLRMEDHSMA-VXGBXAGGSA-N 1 0 302.296 2.453 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)C[C@@H]([NH3+])C(C)(C)C)c1 ZINC000136840301 196554245 /nfs/dbraw/zinc/55/42/45/196554245.db2.gz NZYQICXNFOLFEP-GFCCVEGCSA-N 1 0 311.813 2.402 10 0 DEAERO C[C@@H]1CN(Cc2csc(Br)c2)CC[N@@H+]1CCO ZINC000187678123 224993887 /nfs/dbraw/zinc/99/38/87/224993887.db2.gz XPEUHIOJUNSRDK-SNVBAGLBSA-N 1 0 319.268 2.009 10 0 DEAERO COC[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C1CCOCC1 ZINC000187776704 224997469 /nfs/dbraw/zinc/99/74/69/224997469.db2.gz YCDZJKQVBSHNPQ-GOSISDBHSA-N 1 0 315.417 2.404 10 0 DEAERO CCS(=O)(=O)N1CC(CNc2cc[nH+]c3ccc(C)cc23)C1 ZINC000302564907 230301821 /nfs/dbraw/zinc/30/18/21/230301821.db2.gz OCQHRSUSBFBWMS-UHFFFAOYSA-N 1 0 319.430 2.237 10 0 DEAERO c1ccc([C@@H]2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)O2)cc1 ZINC000423119711 230357418 /nfs/dbraw/zinc/35/74/18/230357418.db2.gz DINSVBQGIDZOLM-FCGDIQPGSA-N 1 0 316.445 2.263 10 0 DEAERO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000129969600 424857500 /nfs/dbraw/zinc/85/75/00/424857500.db2.gz IWRMKDNIEIWPKZ-USXIJHARSA-N 1 0 301.434 2.383 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]C2COCCOC2)CCN1Cc1ccccc1 ZINC000379635991 424908019 /nfs/dbraw/zinc/90/80/19/424908019.db2.gz WRIHBCITSSMXNP-RDJZCZTQSA-N 1 0 304.434 2.045 10 0 DEAERO Fc1ccc(C[NH2+]C2COCCOC2)cc1Br ZINC000379909103 424908172 /nfs/dbraw/zinc/90/81/72/424908172.db2.gz LNCYFZBEVZKDHU-UHFFFAOYSA-N 1 0 304.159 2.093 10 0 DEAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000381928607 424909828 /nfs/dbraw/zinc/90/98/28/424909828.db2.gz QWPWZGUXUFCYTN-JSGCOSHPSA-N 1 0 304.356 2.410 10 0 DEAERO c1cc2c(cc1CN1CCC[C@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000387028423 424912715 /nfs/dbraw/zinc/91/27/15/424912715.db2.gz FAKPXAQLDKFVQP-JKSUJKDBSA-N 1 0 302.418 2.422 10 0 DEAERO CC(C)c1cc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)no1 ZINC000333089008 424919187 /nfs/dbraw/zinc/91/91/87/424919187.db2.gz CCMLHDXPCCJBRH-CYBMUJFWSA-N 1 0 306.410 2.794 10 0 DEAERO CC(C)OC[C@@H](O)C[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398079689 424922213 /nfs/dbraw/zinc/92/22/13/424922213.db2.gz RFEWAAQCQOLLPF-RBUKOAKNSA-N 1 0 320.477 2.417 10 0 DEAERO Cc1cc(Br)ccc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000404155790 424925632 /nfs/dbraw/zinc/92/56/32/424925632.db2.gz SXXTYXGXCQQUOQ-AWEZNQCLSA-N 1 0 314.223 2.389 10 0 DEAERO C[C@H](O)CCCN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404219066 424926196 /nfs/dbraw/zinc/92/61/96/424926196.db2.gz WGUITJKECAIZRJ-WDSOQIARSA-N 1 0 318.461 2.123 10 0 DEAERO [NH3+]CC[C@H]1CCCCN1C(=O)c1nscc1Br ZINC000404765802 424928746 /nfs/dbraw/zinc/92/87/46/424928746.db2.gz GFCSDZBRYXOPGG-MRVPVSSYSA-N 1 0 318.240 2.249 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000405269392 424930692 /nfs/dbraw/zinc/93/06/92/424930692.db2.gz QYVHACAQJCIDLP-YPMHNXCESA-N 1 0 316.492 2.449 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)c2nscc2Br)CC[N@@H+]1C ZINC000404942001 424930901 /nfs/dbraw/zinc/93/09/01/424930901.db2.gz MILOHDNXHOXTQR-SFYZADRCSA-N 1 0 318.240 2.118 10 0 DEAERO CCO[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000405873465 424931407 /nfs/dbraw/zinc/93/14/07/424931407.db2.gz RDLGLXCGOMQOQO-BXKDBHETSA-N 1 0 317.216 2.429 10 0 DEAERO CCO[C@@H]1CN(C(=O)c2scc(C)c2Cl)C[C@H]1C[NH3+] ZINC000405790031 424931494 /nfs/dbraw/zinc/93/14/94/424931494.db2.gz OPQYEVNANZQDDR-NXEZZACHSA-N 1 0 302.827 2.146 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1nn(-c2ccccc2)cc1C ZINC000592803658 425006127 /nfs/dbraw/zinc/00/61/27/425006127.db2.gz VZINNDRUMQRSMM-INIZCTEOSA-N 1 0 312.417 2.994 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2cccs2)[C@H](C)C1 ZINC000081095398 267378010 /nfs/dbraw/zinc/37/80/10/267378010.db2.gz MHDBTSVVIMYPMO-UKRRQHHQSA-N 1 0 309.479 2.026 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2ccc(F)cc2Br)CC1=O ZINC000657697637 425387059 /nfs/dbraw/zinc/38/70/59/425387059.db2.gz QTDPBLNCJHKLGC-SECBINFHSA-N 1 0 315.186 2.156 10 0 DEAERO C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000662957225 425766759 /nfs/dbraw/zinc/76/67/59/425766759.db2.gz VFNYNJROYWWZKB-DTWKUNHWSA-N 1 0 305.205 2.485 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC000324444460 268851264 /nfs/dbraw/zinc/85/12/64/268851264.db2.gz UEORBMAWBWLMOS-OLZOCXBDSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H]1CCN(C(=O)Nc2ccc3c(n2)CCCC3=O)[C@@H](C[NH3+])C1 ZINC000333096230 268885236 /nfs/dbraw/zinc/88/52/36/268885236.db2.gz AFYKKYFNSXXFIJ-NWDGAFQWSA-N 1 0 316.405 2.192 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC000333306103 268923080 /nfs/dbraw/zinc/92/30/80/268923080.db2.gz NDIMDWRQPMMJHY-NWDGAFQWSA-N 1 0 304.419 2.351 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000333692396 268978094 /nfs/dbraw/zinc/97/80/94/268978094.db2.gz CQIODYDHCBASCB-MWNCTCPHSA-N 1 0 321.396 2.177 10 0 DEAERO CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CCc3nnnn3CC2)C1 ZINC000333765907 268989387 /nfs/dbraw/zinc/98/93/87/268989387.db2.gz QFFJKPNRBMMXSV-DGCLKSJQSA-N 1 0 301.394 2.274 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333894672 269001426 /nfs/dbraw/zinc/00/14/26/269001426.db2.gz HPXKDKMJXAQIAJ-MELADBBJSA-N 1 0 303.406 2.007 10 0 DEAERO Cc1nc(-c2ccccc2NC(=O)N2CC[C@@H]([NH+](C)C)C2)no1 ZINC000363470143 269064804 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Cc1nc(N2CCc3ccccc3C2)nc(N2CC[NH2+]CC2)c1C ZINC000045947565 274842891 /nfs/dbraw/zinc/84/28/91/274842891.db2.gz ZJCCUTWRHFORGA-UHFFFAOYSA-N 1 0 323.444 2.066 10 0 DEAERO O=C([C@@H]1SCCc2sccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173098813 275007279 /nfs/dbraw/zinc/00/72/79/275007279.db2.gz BFVAWRJTKAVOAD-BXUZGUMPSA-N 1 0 308.472 2.385 10 0 DEAERO O=C1NCCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000104358121 275022951 /nfs/dbraw/zinc/02/29/51/275022951.db2.gz SIUJPPZUZAVBMX-KGLIPLIRSA-N 1 0 323.234 2.175 10 0 DEAERO OCC[N@@H+]1CCCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159271661 275047118 /nfs/dbraw/zinc/04/71/18/275047118.db2.gz HMCUYSFEQDSMMR-UHFFFAOYSA-N 1 0 307.344 2.017 10 0 DEAERO O[C@H](C[N@@H+]1CCC[C@@H](n2cncn2)C1)c1ccc(Cl)cc1 ZINC000247034667 275057057 /nfs/dbraw/zinc/05/70/57/275057057.db2.gz DIUJGIYUAMKCIT-HUUCEWRRSA-N 1 0 306.797 2.302 10 0 DEAERO CC1(C)CN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC[C@H]1[NH3+] ZINC000261709037 275839982 /nfs/dbraw/zinc/83/99/82/275839982.db2.gz BTRYBWJGRHMSMY-SWLSCSKDSA-N 1 0 322.836 2.477 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(Cl)cn2)C1 ZINC000181094264 276114266 /nfs/dbraw/zinc/11/42/66/276114266.db2.gz REZKSVYLPSEDDM-CQSZACIVSA-N 1 0 310.829 2.361 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc2c1OCCO2 ZINC000056721422 276117401 /nfs/dbraw/zinc/11/74/01/276117401.db2.gz WJNZJOKXNQKXFZ-GFCCVEGCSA-N 1 0 307.394 2.310 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000177702578 276183480 /nfs/dbraw/zinc/18/34/80/276183480.db2.gz DHGHHFCWSXZXQO-RDJZCZTQSA-N 1 0 315.461 2.380 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000177714011 276183543 /nfs/dbraw/zinc/18/35/43/276183543.db2.gz SNTGAHDAZWJOFJ-ROUUACIJSA-N 1 0 315.461 2.422 10 0 DEAERO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H](O)C1CCCCC1)CC2 ZINC000191348883 276355808 /nfs/dbraw/zinc/35/58/08/276355808.db2.gz MOXQYADXQOCHPQ-YESZJQIVSA-N 1 0 311.466 2.180 10 0 DEAERO CCOc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1 ZINC000251679347 276376035 /nfs/dbraw/zinc/37/60/35/276376035.db2.gz IWNRRURPFYVKFZ-RKVPGOIHSA-N 1 0 323.433 2.182 10 0 DEAERO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000245530314 276391443 /nfs/dbraw/zinc/39/14/43/276391443.db2.gz XCCJBPJMQPKGLA-ZBFHGGJFSA-N 1 0 310.463 2.194 10 0 DEAERO CC[C@@](C)(O)C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000123245268 276534934 /nfs/dbraw/zinc/53/49/34/276534934.db2.gz SQNSDZWTIARCGB-QGZVFWFLSA-N 1 0 303.406 2.128 10 0 DEAERO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000414085319 276997366 /nfs/dbraw/zinc/99/73/66/276997366.db2.gz YDPFOSQEIZWCGK-RKVPGOIHSA-N 1 0 315.461 2.489 10 0 DEAERO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000181920361 277082721 /nfs/dbraw/zinc/08/27/21/277082721.db2.gz NWMLQDLMHDNSNI-CYBMUJFWSA-N 1 0 303.406 2.308 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2CCSc3ccccc32)n1 ZINC000263298550 277116637 /nfs/dbraw/zinc/11/66/37/277116637.db2.gz WSYQYZPVDRFMCU-CHWSQXEVSA-N 1 0 316.430 2.273 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NC2CCC(O)CC2)[C@@H]1c1ccccc1 ZINC000179093401 277166238 /nfs/dbraw/zinc/16/62/38/277166238.db2.gz OZXHLKWIQKYJKB-GQGLESIBSA-N 1 0 317.433 2.035 10 0 DEAERO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114495733 277169442 /nfs/dbraw/zinc/16/94/42/277169442.db2.gz BNJGHJAALHGTPK-KRWDZBQOSA-N 1 0 307.438 2.433 10 0 DEAERO CNC(=O)[C@H](C)C[N@H+](C)Cc1sc(C)nc1C(F)(F)F ZINC000183602096 277248385 /nfs/dbraw/zinc/24/83/85/277248385.db2.gz XQJRRJFROCUONS-SSDOTTSWSA-N 1 0 309.357 2.284 10 0 DEAERO COC[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000262318240 277261258 /nfs/dbraw/zinc/26/12/58/277261258.db2.gz CLUYELKRUKSYIE-ZWKOTPCHSA-N 1 0 310.397 2.134 10 0 DEAERO C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000262363012 287967554 /nfs/dbraw/zinc/96/75/54/287967554.db2.gz WRARHJYEHMIZPK-MXASKKJJSA-N 1 0 302.418 2.350 10 0 DEAERO C[C@@H](CCNC(=O)[C@@H]1CCCn2ccnc21)[NH+]1CCCCC1 ZINC000183130572 277564771 /nfs/dbraw/zinc/56/47/71/277564771.db2.gz ZIPOSDBWQJGDIR-LSDHHAIUSA-N 1 0 304.438 2.141 10 0 DEAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248566004 277663909 /nfs/dbraw/zinc/66/39/09/277663909.db2.gz OULODAFJVQYOQR-RBSFLKMASA-N 1 0 316.511 2.462 10 0 DEAERO CC(C)c1nnc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1C ZINC000179179791 278099506 /nfs/dbraw/zinc/09/95/06/278099506.db2.gz FZAJQYZKQOJHEN-GDBMZVCRSA-N 1 0 317.481 2.387 10 0 DEAERO CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000424049942 278251446 /nfs/dbraw/zinc/25/14/46/278251446.db2.gz AFUBDXYCOXLAAL-AWEZNQCLSA-N 1 0 316.401 2.011 10 0 DEAERO CC1(C)CN(C(=O)c2cc3c([nH]c2=O)CCCCC3)CC[C@H]1[NH3+] ZINC000262046410 278321003 /nfs/dbraw/zinc/32/10/03/278321003.db2.gz QPHMSFZJRHPCEQ-OAHLLOKOSA-N 1 0 317.433 2.256 10 0 DEAERO C[C@@H]([NH2+]Cc1c(Br)cnn1C)[C@H]1CCCCO1 ZINC000278622875 278356476 /nfs/dbraw/zinc/35/64/76/278356476.db2.gz DVZDFJYZASVWCQ-BXKDBHETSA-N 1 0 302.216 2.230 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000250118635 278564333 /nfs/dbraw/zinc/56/43/33/278564333.db2.gz UTNHRIOBSBCFMA-SIXLDLHFSA-N 1 0 302.418 2.269 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc2c1OCCO2 ZINC000124095915 279132906 /nfs/dbraw/zinc/13/29/06/279132906.db2.gz HJLRWNOICAMLDK-CYBMUJFWSA-N 1 0 306.406 2.164 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2CC[C@H](C)C2)CC(=O)N1C ZINC000328871981 279195438 /nfs/dbraw/zinc/19/54/38/279195438.db2.gz YLGFLPCLNMCGEX-IHQJAULKSA-N 1 0 304.438 2.087 10 0 DEAERO CCN(Cc1cccc(NC(=O)CC[C@@H]2CC[NH2+]C2)c1)C(C)=O ZINC000261817996 279237664 /nfs/dbraw/zinc/23/76/64/279237664.db2.gz HRDNLDZLSUPQAW-OAHLLOKOSA-N 1 0 317.433 2.383 10 0 DEAERO CC(C)N(C(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000262586185 279283137 /nfs/dbraw/zinc/28/31/37/279283137.db2.gz ZSPWOZJCRAHAAH-NVXWUHKLSA-N 1 0 303.450 2.487 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(C1CC1)C1CCCC1 ZINC000175346962 279326976 /nfs/dbraw/zinc/32/69/76/279326976.db2.gz SQUVZYMPBKCQAG-KRWDZBQOSA-N 1 0 307.482 2.336 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000245416093 279357880 /nfs/dbraw/zinc/35/78/80/279357880.db2.gz DWZZGCKBQTYURK-HUUCEWRRSA-N 1 0 307.442 2.006 10 0 DEAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187850117 279362737 /nfs/dbraw/zinc/36/27/37/279362737.db2.gz CTGVROXYRCAQJW-ZIAGYGMSSA-N 1 0 311.447 2.396 10 0 DEAERO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nc(C2CCCC2)no1 ZINC000189425493 288147382 /nfs/dbraw/zinc/14/73/82/288147382.db2.gz HQGNUKAJWZPRSF-CYBMUJFWSA-N 1 0 322.453 2.004 10 0 DEAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408384148 279639920 /nfs/dbraw/zinc/63/99/20/279639920.db2.gz YQJQKSYPDSLSGT-WPUBBZCQSA-N 1 0 320.477 2.305 10 0 DEAERO O=C(CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)N1CCCCC1 ZINC000128075062 279752046 /nfs/dbraw/zinc/75/20/46/279752046.db2.gz VUUYQLSLKGNOOA-CVEARBPZSA-N 1 0 304.438 2.359 10 0 DEAERO CC[C@@H]1CCCCCN1C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000120341319 280236057 /nfs/dbraw/zinc/23/60/57/280236057.db2.gz UNHUTEUTJGFMFZ-HZPDHXFCSA-N 1 0 311.470 2.461 10 0 DEAERO Cc1cc(C)cc(-n2ncc(CN3CC[C@]4(CC[NH2+]C4)C3)n2)c1 ZINC000262003967 280413675 /nfs/dbraw/zinc/41/36/75/280413675.db2.gz LOPCZXBQBICGJQ-SFHVURJKSA-N 1 0 311.433 2.070 10 0 DEAERO CC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC(=O)N1 ZINC000329670872 280520658 /nfs/dbraw/zinc/52/06/58/280520658.db2.gz MZDSAEQBTPRTKQ-RBSFLKMASA-N 1 0 307.438 2.218 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C(C)C)n(C)n1 ZINC000245407600 281198402 /nfs/dbraw/zinc/19/84/02/281198402.db2.gz BWZGFEXRYJTKJZ-KBPBESRZSA-N 1 0 304.438 2.242 10 0 DEAERO CC1(C)C[N@H+](CCCNC(=O)C(F)(F)F)CC2(CCCC2)O1 ZINC000190974558 281236190 /nfs/dbraw/zinc/23/61/90/281236190.db2.gz VHWXUULLJXJUDE-UHFFFAOYSA-N 1 0 322.371 2.479 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@H]3CCC[C@H]3C[NH3+])nc21 ZINC000262579188 281262819 /nfs/dbraw/zinc/26/28/19/281262819.db2.gz LHKARSUQAIFLPW-STQMWFEESA-N 1 0 300.406 2.048 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000246580135 288313819 /nfs/dbraw/zinc/31/38/19/288313819.db2.gz FIRWXVJIBFYOIM-HYVNUMGLSA-N 1 0 315.417 2.180 10 0 DEAERO CC1(C)C[C@@H](NC(=O)N2CCC[N@@H+](C3CC3)CC2)C(C)(C)O1 ZINC000183589938 281306614 /nfs/dbraw/zinc/30/66/14/281306614.db2.gz ICXVYLTUXMTYKH-CQSZACIVSA-N 1 0 309.454 2.212 10 0 DEAERO Cc1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cnn1C ZINC000054666837 281480340 /nfs/dbraw/zinc/48/03/40/281480340.db2.gz MNTFJKPVXBVBBN-UHFFFAOYSA-N 1 0 312.417 2.254 10 0 DEAERO CCO[C@H]1C[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078876530 281585431 /nfs/dbraw/zinc/58/54/31/281585431.db2.gz MLOFBZLGTIOFBX-SJORKVTESA-N 1 0 302.418 2.324 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC000134480148 282043562 /nfs/dbraw/zinc/04/35/62/282043562.db2.gz APCFYLQOAKXSDY-CJNGLKHVSA-N 1 0 317.433 2.471 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCCOc3c(F)cccc32)C1 ZINC000183827662 289383264 /nfs/dbraw/zinc/38/32/64/289383264.db2.gz MUWKKVZORDGMQN-SWLSCSKDSA-N 1 0 321.396 2.385 10 0 DEAERO C[C@H](c1nnnn1C1CCCCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000188953632 290290110 /nfs/dbraw/zinc/29/01/10/290290110.db2.gz HXGFFTQNZRNAOP-CQSZACIVSA-N 1 0 318.469 2.409 10 0 DEAERO Cc1nc(C2([NH2+]C[C@@H]3CCNC(=O)CC3)CCCCCC2)no1 ZINC000450520181 293251787 /nfs/dbraw/zinc/25/17/87/293251787.db2.gz PCPJAKRJEYLCNH-AWEZNQCLSA-N 1 0 320.437 2.433 10 0 DEAERO C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@H]2CCCC[C@H]12 ZINC000182481841 297013407 /nfs/dbraw/zinc/01/34/07/297013407.db2.gz BSMJTDWFYXDNJU-QXSJWSMHSA-N 1 0 314.495 2.169 10 0 DEAERO Cc1nn(C)cc1CC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000450701074 293782072 /nfs/dbraw/zinc/78/20/72/293782072.db2.gz VMHMITPLNZAFMF-KSSFIOAISA-N 1 0 314.433 2.079 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000236594367 293799012 /nfs/dbraw/zinc/79/90/12/293799012.db2.gz XQXXFBPGVBEKMK-DOTOQJQBSA-N 1 0 320.481 2.332 10 0 DEAERO CO[C@@]1(C)C[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C1(C)C ZINC000074943196 294145876 /nfs/dbraw/zinc/14/58/76/294145876.db2.gz JLYVIIQJGPZPHB-QAPCUYQASA-N 1 0 323.481 2.460 10 0 DEAERO O=C(CN1CCC([NH+]2CCCC2)CC1)N(C1CC1)C1CCCC1 ZINC000066533480 295497531 /nfs/dbraw/zinc/49/75/31/295497531.db2.gz GYXGWJVGJONIED-UHFFFAOYSA-N 1 0 319.493 2.480 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000247629407 297098823 /nfs/dbraw/zinc/09/88/23/297098823.db2.gz SNMKRXQGYZCGCP-PMPSAXMXSA-N 1 0 321.465 2.356 10 0 DEAERO C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N(C)CC(F)(F)F ZINC000193375410 298145521 /nfs/dbraw/zinc/14/55/21/298145521.db2.gz CXUHDIATWXNPQG-ODWCKFRGSA-N 1 0 321.387 2.001 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000193397776 300004298 /nfs/dbraw/zinc/00/42/98/300004298.db2.gz IPMGWJWUULSXAX-GZMMTYOYSA-N 1 0 323.245 2.270 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000120257127 301253178 /nfs/dbraw/zinc/25/31/78/301253178.db2.gz MBRKGYSREXVDFV-WBVHZDCISA-N 1 0 314.433 2.480 10 0 DEAERO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CC1(CCO)CC1 ZINC000188074675 302183557 /nfs/dbraw/zinc/18/35/57/302183557.db2.gz GRNNNDAENMHXJX-SFHVURJKSA-N 1 0 318.461 2.121 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+]C[C@H]1CSCCS1 ZINC000291953937 304865174 /nfs/dbraw/zinc/86/51/74/304865174.db2.gz OKWFSKMEDQTCMO-HNNXBMFYSA-N 1 0 320.487 2.265 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000575473897 326239833 /nfs/dbraw/zinc/23/98/33/326239833.db2.gz LVIBIQOHXNAHJH-ZIAGYGMSSA-N 1 0 306.410 2.085 10 0 DEAERO Cn1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000576693615 326311917 /nfs/dbraw/zinc/31/19/17/326311917.db2.gz BKXXOYHKBJPRRZ-MRXNPFEDSA-N 1 0 319.453 2.016 10 0 DEAERO Cn1cnc(CCNC(=O)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000577068903 326340589 /nfs/dbraw/zinc/34/05/89/326340589.db2.gz ITYSBNCTIWGDIT-OAHLLOKOSA-N 1 0 302.353 2.088 10 0 DEAERO COC[C@H](C)C[NH+]1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000187102591 332956661 /nfs/dbraw/zinc/95/66/61/332956661.db2.gz RXUVNGDPNNRZGE-OAHLLOKOSA-N 1 0 305.422 2.427 10 0 DEAERO CC1(C)COc2c1cccc2C(=O)NCCNc1cc[nH+]cc1 ZINC000584331257 333118730 /nfs/dbraw/zinc/11/87/30/333118730.db2.gz DSSWTLLVPOAZDK-UHFFFAOYSA-N 1 0 311.385 2.015 10 0 DEAERO COc1cccc(F)c1[C@@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000186315238 333218563 /nfs/dbraw/zinc/21/85/63/333218563.db2.gz OYQLBFISHXTHEG-GFCCVEGCSA-N 1 0 311.401 2.488 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)Nc2ccnn2C(C)(C)C)CC1 ZINC000583136937 337243358 /nfs/dbraw/zinc/24/33/58/337243358.db2.gz CZLNPURAJOODSD-UHFFFAOYSA-N 1 0 305.426 2.412 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398165867 337307837 /nfs/dbraw/zinc/30/78/37/337307837.db2.gz TXILHSUGYPGJMN-RYQLBKOJSA-N 1 0 306.450 2.025 10 0 DEAERO CNC(=O)[C@H]1CC[N@H+](Cc2ccsc2Br)C1 ZINC000398499721 337311527 /nfs/dbraw/zinc/31/15/27/337311527.db2.gz XFFPARSWMKBJKQ-VIFPVBQESA-N 1 0 303.225 2.079 10 0 DEAERO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192532450 341873209 /nfs/dbraw/zinc/87/32/09/341873209.db2.gz PPEJSOPJNJXRDX-UHFFFAOYSA-N 1 0 316.430 2.240 10 0 DEAERO COc1ccc(C[C@H](C)C[NH2+]Cc2cc(C(N)=O)co2)cc1F ZINC000190010666 533786996 /nfs/dbraw/zinc/78/69/96/533786996.db2.gz FKDGWNURSCQTAW-NSHDSACASA-N 1 0 320.364 2.495 10 0 DEAERO C[C@H](CC1CCOCC1)[NH2+][C@H]1CCO[C@@H](c2cncn2C)C1 ZINC000328646184 533787811 /nfs/dbraw/zinc/78/78/11/533787811.db2.gz SLXJCSZIBBWOFE-UKPHBRMFSA-N 1 0 307.438 2.435 10 0 DEAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cn2ccnc2s1 ZINC000248941215 533829354 /nfs/dbraw/zinc/82/93/54/533829354.db2.gz OAEDKGXEYGXAQJ-RYUDHWBXSA-N 1 0 306.435 2.246 10 0 DEAERO COc1ccc(O)cc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000188084942 534210938 /nfs/dbraw/zinc/21/09/38/534210938.db2.gz NQPAATHCTHFZPQ-OLZOCXBDSA-N 1 0 306.406 2.251 10 0 DEAERO C(c1noc(C2CCOCC2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000104946358 518407066 /nfs/dbraw/zinc/40/70/66/518407066.db2.gz QTNRFUPFASLVDW-UHFFFAOYSA-N 1 0 320.437 2.024 10 0 DEAERO CC(C)CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246878750 519693696 /nfs/dbraw/zinc/69/36/96/519693696.db2.gz DNNVCHIXIIRZLT-HZPDHXFCSA-N 1 0 323.481 2.001 10 0 DEAERO Cc1ccc2cc(C(=O)NCCNc3cc[nH+]cc3)ccc2n1 ZINC000448454733 534461952 /nfs/dbraw/zinc/46/19/52/534461952.db2.gz NUIIFEJRJPMBMF-UHFFFAOYSA-N 1 0 306.369 2.202 10 0 DEAERO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)cc1 ZINC000299744095 534480318 /nfs/dbraw/zinc/48/03/18/534480318.db2.gz QVPDCKRHDVSDLA-MRXNPFEDSA-N 1 0 324.428 2.308 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000195335616 534484158 /nfs/dbraw/zinc/48/41/58/534484158.db2.gz GRMXNFIPBGWMMW-KCXAZCMYSA-N 1 0 308.397 2.217 10 0 DEAERO CC[NH+](CC)CCOc1ccccc1NC(=O)NCC[C@@H](C)O ZINC000114807414 520702191 /nfs/dbraw/zinc/70/21/91/520702191.db2.gz IGWRFYFOPDYXTQ-CQSZACIVSA-N 1 0 323.437 2.300 10 0 DEAERO CCOc1cc2c(cc1CNC(=O)[C@H]([NH3+])[C@@H](C)CC)O[C@H](C)C2 ZINC000246504944 520793069 /nfs/dbraw/zinc/79/30/69/520793069.db2.gz QDMOIIIQPINQJE-XWCIJXRUSA-N 1 0 320.433 2.398 10 0 DEAERO CC[N@@H+]1CC[C@H]2OCCN(Cc3ncc(Cl)s3)[C@H]2C1 ZINC000339391776 521723126 /nfs/dbraw/zinc/72/31/26/521723126.db2.gz IHHNZGXTTMKYOS-WDEREUQCSA-N 1 0 301.843 2.092 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000237096604 521951566 /nfs/dbraw/zinc/95/15/66/521951566.db2.gz JHADJYLQJCGZCA-UHFFFAOYSA-N 1 0 303.225 2.335 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCc2n[nH]cc21)c1cccs1 ZINC000131652620 522077941 /nfs/dbraw/zinc/07/79/41/522077941.db2.gz TUNVYJPKDQSQOX-BXUZGUMPSA-N 1 0 318.446 2.310 10 0 DEAERO CCc1nc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000107854084 522331457 /nfs/dbraw/zinc/33/14/57/522331457.db2.gz ZWYKHMNLKFSXAW-ZDUSSCGKSA-N 1 0 308.451 2.085 10 0 DEAERO COC(=O)C[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000121420142 523317964 /nfs/dbraw/zinc/31/79/64/523317964.db2.gz YZTUSLMPAGGSHR-AWEZNQCLSA-N 1 0 318.417 2.098 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1ccco1 ZINC000111865126 523824958 /nfs/dbraw/zinc/82/49/58/523824958.db2.gz PILSVHDJANFBJZ-UONOGXRCSA-N 1 0 309.410 2.093 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C1CCC1 ZINC000111866104 523825825 /nfs/dbraw/zinc/82/58/25/523825825.db2.gz MPPKZDVICNDKQN-HZPDHXFCSA-N 1 0 309.454 2.071 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCc1csc(C(C)(C)C)n1 ZINC000130106166 523850255 /nfs/dbraw/zinc/85/02/55/523850255.db2.gz JOBONYQUAAFUFP-ZDUSSCGKSA-N 1 0 324.494 2.377 10 0 DEAERO CNC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000246627767 524080107 /nfs/dbraw/zinc/08/01/07/524080107.db2.gz KFGQNHFXJJQBFM-DFBGVHRSSA-N 1 0 316.405 2.297 10 0 DEAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000450661156 534789884 /nfs/dbraw/zinc/78/98/84/534789884.db2.gz DEXSLPOAAOAXPV-DIFFPNOSSA-N 1 0 304.390 2.026 10 0 DEAERO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000355902392 534807651 /nfs/dbraw/zinc/80/76/51/534807651.db2.gz DNDONRVCIUQRCQ-RBUKOAKNSA-N 1 0 315.461 2.061 10 0 DEAERO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000249153398 525101097 /nfs/dbraw/zinc/10/10/97/525101097.db2.gz HTPIVFWXBATWPE-GXTWGEPZSA-N 1 0 321.396 2.014 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H](C)CO ZINC000131157049 525267344 /nfs/dbraw/zinc/26/73/44/525267344.db2.gz CEOCYQFETWZEGX-INMHGKMJSA-N 1 0 304.434 2.174 10 0 DEAERO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)c1cccnc1 ZINC000156472004 525947137 /nfs/dbraw/zinc/94/71/37/525947137.db2.gz GODSPUYQYYZKNL-AWEZNQCLSA-N 1 0 301.390 2.369 10 0 DEAERO Cc1noc(C2(C)CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)n1 ZINC000364913538 526578286 /nfs/dbraw/zinc/57/82/86/526578286.db2.gz GQWGWOUOXQLPQW-JTQLQIEISA-N 1 0 307.316 2.045 10 0 DEAERO O=C(NC[C@H]1CCC[NH2+]1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000178740260 526596515 /nfs/dbraw/zinc/59/65/15/526596515.db2.gz JCKYVYCXNMEVFX-GFCCVEGCSA-N 1 0 304.781 2.008 10 0 DEAERO Cc1nccn1C[C@@H]1CCCN1C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000246188791 527441530 /nfs/dbraw/zinc/44/15/30/527441530.db2.gz CXKYGYZPSWPXPL-XIRDDKMYSA-N 1 0 318.465 2.208 10 0 DEAERO CC[NH+](CC)[C@H](C(=O)NCC1(CCO)CC1)c1ccccc1 ZINC000188016427 528260815 /nfs/dbraw/zinc/26/08/15/528260815.db2.gz UHKDXCUHQVEVFB-INIZCTEOSA-N 1 0 304.434 2.348 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)C1 ZINC000189654720 529057005 /nfs/dbraw/zinc/05/70/05/529057005.db2.gz WJQMRUUFMVHCKI-GXTWGEPZSA-N 1 0 305.426 2.460 10 0 DEAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2COc3ccccc32)C1 ZINC000247361128 535138826 /nfs/dbraw/zinc/13/88/26/535138826.db2.gz OOBFOOUYWJTVCH-ZBFHGGJFSA-N 1 0 317.433 2.397 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000262575403 535255176 /nfs/dbraw/zinc/25/51/76/535255176.db2.gz IOYLDPITNDPZEI-OAHLLOKOSA-N 1 0 318.417 2.259 10 0 DEAERO CCCC(=O)N1CCC[C@@H]1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000359496552 535333290 /nfs/dbraw/zinc/33/32/90/535333290.db2.gz SNFKSQSKTCPXFE-MRXNPFEDSA-N 1 0 323.481 2.016 10 0 DEAERO CC1(C)CN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC[C@H]1[NH3+] ZINC000262031444 535350129 /nfs/dbraw/zinc/35/01/29/535350129.db2.gz PLLWZRVZURTSLT-OAHLLOKOSA-N 1 0 315.417 2.235 10 0 DEAERO CC1(C)CN(C(=O)c2cnn(Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000262197002 535351428 /nfs/dbraw/zinc/35/14/28/535351428.db2.gz ZYYSYKRLCWNSAE-MRXNPFEDSA-N 1 0 312.417 2.131 10 0 DEAERO CCCc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)n2ncnc2n1 ZINC000246415389 535400297 /nfs/dbraw/zinc/40/02/97/535400297.db2.gz HGBSMPXQNJZLHY-CABCVRRESA-N 1 0 314.437 2.140 10 0 DEAERO CC[NH+](CC)CCSCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000174681754 535568035 /nfs/dbraw/zinc/56/80/35/535568035.db2.gz AIWQWYJCINZKBE-GJZGRUSLSA-N 1 0 314.495 2.231 10 0 DEAERO CCOC(=O)CC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000190751088 535611576 /nfs/dbraw/zinc/61/15/76/535611576.db2.gz UILMYHPMTSWKLB-GOSISDBHSA-N 1 0 318.417 2.111 10 0 DEAERO CCN(C(C)=O)c1nc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cs1 ZINC000261597014 535705168 /nfs/dbraw/zinc/70/51/68/535705168.db2.gz ALLRRBAXTTUOPD-CYBMUJFWSA-N 1 0 310.467 2.075 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000262701798 535758615 /nfs/dbraw/zinc/75/86/15/535758615.db2.gz IYZDZAJYPPPYOI-KRWDZBQOSA-N 1 0 323.412 2.000 10 0 DEAERO C[NH+](C)CCCCNC(=O)C1(c2cccc(Cl)c2)CC(=O)C1 ZINC000362762735 535827736 /nfs/dbraw/zinc/82/77/36/535827736.db2.gz LVTPADGSFSLDIJ-UHFFFAOYSA-N 1 0 322.836 2.399 10 0 DEAERO C[NH+](C)CCN1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000358545809 535875213 /nfs/dbraw/zinc/87/52/13/535875213.db2.gz NEDYEFLVTISZPE-UHFFFAOYSA-N 1 0 315.461 2.274 10 0 DEAERO CCc1noc(C)c1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000454655219 535882195 /nfs/dbraw/zinc/88/21/95/535882195.db2.gz JTKYMVMZLIGTKF-LBPRGKRZSA-N 1 0 310.442 2.321 10 0 DEAERO CCc1ccccc1C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000189118591 535936594 /nfs/dbraw/zinc/93/65/94/535936594.db2.gz XHCQEEUUQIHMRG-KRWDZBQOSA-N 1 0 322.474 2.249 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)c1cn(C(C)(C)C)nn1)c1ccccc1 ZINC000191366624 535952746 /nfs/dbraw/zinc/95/27/46/535952746.db2.gz BMGYMIPTNZBPJN-AWEZNQCLSA-N 1 0 315.421 2.066 10 0 DEAERO CNC(=O)Cc1nc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)cs1 ZINC000248444266 536303287 /nfs/dbraw/zinc/30/32/87/536303287.db2.gz WBBBOVGJJKSHEL-FPMFFAJLSA-N 1 0 307.463 2.442 10 0 DEAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(F)cc1NC(=O)c1ccoc1 ZINC000261828497 536342616 /nfs/dbraw/zinc/34/26/16/536342616.db2.gz VDWZVJUWBJVPAZ-JTQLQIEISA-N 1 0 319.336 2.009 10 0 DEAERO COC(=O)Cc1ccccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192673665 536371033 /nfs/dbraw/zinc/37/10/33/536371033.db2.gz STPFMSHCISNOQK-UHFFFAOYSA-N 1 0 316.401 2.215 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000248169985 536380073 /nfs/dbraw/zinc/38/00/73/536380073.db2.gz UNIRMZVLHMQUHZ-HUUCEWRRSA-N 1 0 316.401 2.014 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc(F)c(F)c2)C1 ZINC000246491533 536471248 /nfs/dbraw/zinc/47/12/48/536471248.db2.gz DRTAOLLTVKDCCT-XJKSGUPXSA-N 1 0 308.372 2.450 10 0 DEAERO COC(=O)c1cc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc(C)c1C ZINC000261968139 536554267 /nfs/dbraw/zinc/55/42/67/536554267.db2.gz SYNOZSCXOVRTFC-HNNXBMFYSA-N 1 0 316.401 2.418 10 0 DEAERO CO[C@H](CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000247375719 536621409 /nfs/dbraw/zinc/62/14/09/536621409.db2.gz PLXLFSIGZSWCEB-BHYGNILZSA-N 1 0 319.449 2.402 10 0 DEAERO COC(=O)[C@H](C1CC1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359605975 536643837 /nfs/dbraw/zinc/64/38/37/536643837.db2.gz YJMPSWKNEQWVMO-WMZOPIPTSA-N 1 0 316.445 2.392 10 0 DEAERO COC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000357911549 536702492 /nfs/dbraw/zinc/70/24/92/536702492.db2.gz WUMZQONLIHDYLF-GOEBONIOSA-N 1 0 307.438 2.402 10 0 DEAERO COc1cccc([C@H]2C[C@@H]2C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000188634432 536902456 /nfs/dbraw/zinc/90/24/56/536902456.db2.gz CMFIFYTTZMSQDA-SJORKVTESA-N 1 0 300.402 2.105 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(F)nc1 ZINC000309770911 625333383 /nfs/dbraw/zinc/33/33/83/625333383.db2.gz AZPSVYWSKGSAKA-ZDUSSCGKSA-N 1 0 301.365 2.471 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000089106105 625532524 /nfs/dbraw/zinc/53/25/24/625532524.db2.gz MYYAKXHGFYXDKX-BXKDBHETSA-N 1 0 304.362 2.222 10 0 DEAERO Cc1cc(S(=O)(=O)NC[C@@H]2CC[C@H]([NH3+])C2)sc1Cl ZINC000311116855 625542999 /nfs/dbraw/zinc/54/29/99/625542999.db2.gz GIKSPQHJGCWFON-BDAKNGLRSA-N 1 0 308.856 2.116 10 0 DEAERO CC(C)(C)OC(=O)N(CC1(CO)CC1)c1ccc(C[NH3+])nc1 ZINC000757132553 623023796 /nfs/dbraw/zinc/02/37/96/623023796.db2.gz BPCQIVRASGDEPS-UHFFFAOYSA-N 1 0 307.394 2.054 10 0 DEAERO CN(C)C1(C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CCC1 ZINC000234255295 623962993 /nfs/dbraw/zinc/96/29/93/623962993.db2.gz YSLLXBVWULEMCV-CQSZACIVSA-N 1 0 311.470 2.460 10 0 DEAERO CC1(C)[NH2+]CC[C@H]1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000307877238 623965989 /nfs/dbraw/zinc/96/59/89/623965989.db2.gz OOLYDRFLMVLTPX-CHOZFAJLSA-N 1 0 314.838 2.371 10 0 DEAERO [NH3+]C1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000208855217 624066851 /nfs/dbraw/zinc/06/68/51/624066851.db2.gz SUZCLDLLSMVWNT-YFHOEESVSA-N 1 0 300.811 2.064 10 0 DEAERO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc(Cl)s1 ZINC000188359657 624106622 /nfs/dbraw/zinc/10/66/22/624106622.db2.gz JLWWUDDJBPJXJU-SSDOTTSWSA-N 1 0 310.810 2.261 10 0 DEAERO C[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc2ccccc2c1 ZINC000187643274 624570981 /nfs/dbraw/zinc/57/09/81/624570981.db2.gz BXCVWZGNVYGTHR-CYBMUJFWSA-N 1 0 318.442 2.382 10 0 DEAERO C[NH2+]CCc1noc(-c2cc(OC)ccc2Br)n1 ZINC000051850876 624936209 /nfs/dbraw/zinc/93/62/09/624936209.db2.gz ULAJEHQWGHSZPV-UHFFFAOYSA-N 1 0 312.167 2.270 10 0 DEAERO CCN(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)c1ccccc1 ZINC000066242291 625056560 /nfs/dbraw/zinc/05/65/60/625056560.db2.gz SIELQTRDKIYNAL-DLBZAZTESA-N 1 0 318.465 2.153 10 0 DEAERO O=S1(=O)CC(CC[NH2+]Cc2cscc2Br)C1 ZINC000309369275 625063382 /nfs/dbraw/zinc/06/33/82/625063382.db2.gz PWKFLRWBOZBHEZ-UHFFFAOYSA-N 1 0 324.265 2.035 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1nc(C2CC2)n(C)c1=S ZINC000177161401 625863615 /nfs/dbraw/zinc/86/36/15/625863615.db2.gz AUEUGIVIDOSJMW-ZDUSSCGKSA-N 1 0 309.483 2.202 10 0 DEAERO CCOc1nn(CN(C)C[C@@H]2CCC[N@@H+]2CC)c(=S)s1 ZINC000177159600 625864085 /nfs/dbraw/zinc/86/40/85/625864085.db2.gz WRUWCXBULXJJTB-NSHDSACASA-N 1 0 316.496 2.446 10 0 DEAERO CC[NH+](CC)Cc1ccc(C(=O)NCC[S@](=O)CC)cc1 ZINC000733880353 633293810 /nfs/dbraw/zinc/29/38/10/633293810.db2.gz SONMAYYDEUWVGV-OAQYLSRUSA-N 1 0 310.463 2.027 10 0 DEAERO CCCCO[C@H](C)C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000125002515 633479487 /nfs/dbraw/zinc/47/94/87/633479487.db2.gz GNXILMWDYSVUJL-CABCVRRESA-N 1 0 301.427 2.092 10 0 DEAERO c1nc2c(c(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)n1)CCCCC2 ZINC000317077670 635109207 /nfs/dbraw/zinc/10/92/07/635109207.db2.gz NTIZLTADHOOWGH-KBPBESRZSA-N 1 0 302.422 2.021 10 0 DEAERO Cn1cc(O[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCOC3(CCC3)C2)cn1 ZINC000888099363 635547311 /nfs/dbraw/zinc/54/73/11/635547311.db2.gz WDFRJPQMVRVQFD-VNQPRFMTSA-N 1 0 305.422 2.411 10 0 DEAERO COc1ccccc1/C(C)=C\C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000255583549 635892141 /nfs/dbraw/zinc/89/21/41/635892141.db2.gz PAESVMQMIJHZSI-IKESIWSLSA-N 1 0 300.402 2.405 10 0 DEAERO C[NH2+][C@H](C)CNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000261746177 636349941 /nfs/dbraw/zinc/34/99/41/636349941.db2.gz NAHSZIXPIXWDTP-GFCCVEGCSA-N 1 0 317.437 2.473 10 0 DEAERO CCOc1ccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1OCC ZINC000222586654 636361175 /nfs/dbraw/zinc/36/11/75/636361175.db2.gz IQQKGFHZDOXSPA-OAHLLOKOSA-N 1 0 318.417 2.308 10 0 DEAERO Cc1ccc(-c2nc(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)cs2)o1 ZINC000186792753 636564847 /nfs/dbraw/zinc/56/48/47/636564847.db2.gz WUECIJRXEQUUQZ-ONGXEEELSA-N 1 0 305.403 2.439 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000186799677 636565995 /nfs/dbraw/zinc/56/59/95/636565995.db2.gz ZPIFAEBPBWXDJI-RISCZKNCSA-N 1 0 318.808 2.254 10 0 DEAERO COc1ccccc1C/C(C)=C/C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186822027 636571032 /nfs/dbraw/zinc/57/10/32/636571032.db2.gz HJAZCEGDSWKRCQ-BALAJYPESA-N 1 0 302.418 2.298 10 0 DEAERO C[C@H](CO)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000086622802 636599507 /nfs/dbraw/zinc/59/95/07/636599507.db2.gz SCLJTLFPAFPTLJ-JOYOIKCWSA-N 1 0 300.196 2.491 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C(=O)OC(C)(C)C ZINC000304353841 637239668 /nfs/dbraw/zinc/23/96/68/637239668.db2.gz XMRJQVXPJQQCKR-LBPRGKRZSA-N 1 0 321.421 2.131 10 0 DEAERO CCC(CC)(C[NH3+])NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000178954906 637504946 /nfs/dbraw/zinc/50/49/46/637504946.db2.gz ZYOCMHJCPLZBFW-MDZDMXLPSA-N 1 0 300.399 2.233 10 0 DEAERO C[C@H]1CN(Cc2cc3ccccc3nc2Cl)CC[N@@H+]1CCO ZINC000187661755 637542477 /nfs/dbraw/zinc/54/24/77/637542477.db2.gz UHQNREWFEDQYBZ-ZDUSSCGKSA-N 1 0 319.836 2.387 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)C12CCC2 ZINC000341587447 638066261 /nfs/dbraw/zinc/06/62/61/638066261.db2.gz IPXZRHWRRIJTPO-LJISPDSOSA-N 1 0 309.454 2.116 10 0 DEAERO CC(C)CCN(C(=O)Nc1cnn(CC[NH+](C)C)c1)C1CC1 ZINC000747558805 638450309 /nfs/dbraw/zinc/45/03/09/638450309.db2.gz YHQZANXASROMFC-UHFFFAOYSA-N 1 0 307.442 2.487 10 0 DEAERO CC[S@](=O)CC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000747870019 638486510 /nfs/dbraw/zinc/48/65/10/638486510.db2.gz BVTOXTLOIXYUCE-FIKIJFGZSA-N 1 0 312.435 2.073 10 0 DEAERO C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CCN1C ZINC000751572820 639439293 /nfs/dbraw/zinc/43/92/93/639439293.db2.gz CKSSGMAJVQOFHP-OCCSQVGLSA-N 1 0 316.367 2.245 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(c3ncncc3Br)CC[C@H]21 ZINC000227347121 639958093 /nfs/dbraw/zinc/95/80/93/639958093.db2.gz IYRWQSFSNIODFH-ZYHUDNBSSA-N 1 0 311.227 2.160 10 0 DEAERO C[N@H+](CCCNC(=O)[C@H]1CCCC12OCCO2)C1CCCCC1 ZINC000806409581 641371962 /nfs/dbraw/zinc/37/19/62/641371962.db2.gz OTXWFTBLSBVZEO-MRXNPFEDSA-N 1 0 324.465 2.300 10 0 DEAERO Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H](C)C[NH+](C)C ZINC000805423734 641486982 /nfs/dbraw/zinc/48/69/82/641486982.db2.gz XHKMWJFDZNLQGI-JTQLQIEISA-N 1 0 305.353 2.469 10 0 DEAERO C[N@H+](CCCNC(=O)[C@@H]1CCCC12OCCO2)C1CCCCC1 ZINC000806409577 645828072 /nfs/dbraw/zinc/82/80/72/645828072.db2.gz OTXWFTBLSBVZEO-INIZCTEOSA-N 1 0 324.465 2.300 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCC12OCCO2 ZINC000806542698 645844082 /nfs/dbraw/zinc/84/40/82/645844082.db2.gz WFKKULRXNARICJ-GJZGRUSLSA-N 1 0 312.454 2.156 10 0 DEAERO CON(C)C(=O)CC[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000806626515 645854649 /nfs/dbraw/zinc/85/46/49/645854649.db2.gz WZBJWAJVVSLKIK-GFCCVEGCSA-N 1 0 319.405 2.096 10 0 DEAERO COc1ccc(C2(C(=O)OC(C)(C)C)CC([NH3+])C2)cc1OC ZINC000757176753 645936964 /nfs/dbraw/zinc/93/69/64/645936964.db2.gz HEIIGFQXHZVMAK-UHFFFAOYSA-N 1 0 307.390 2.404 10 0 DEAERO Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)nc(N)[nH+]1 ZINC000323788810 646287327 /nfs/dbraw/zinc/28/73/27/646287327.db2.gz GCGUMYSVMXUMMG-CQSZACIVSA-N 1 0 311.433 2.326 10 0 DEAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CSC(=O)N1 ZINC000156794029 646467874 /nfs/dbraw/zinc/46/78/74/646467874.db2.gz GAKLDHZFSRTMNX-AWEZNQCLSA-N 1 0 319.430 2.354 10 0 DEAERO Cc1occc1C(=O)NCC1(C[NH+]2CCCC2)CCOCC1 ZINC000223605220 646500045 /nfs/dbraw/zinc/50/00/45/646500045.db2.gz YCJOOPOZEYLQOF-UHFFFAOYSA-N 1 0 306.406 2.210 10 0 DEAERO C[NH+](C)C[C@](C)(O)CNc1cc(C(F)(F)F)cc(Cl)n1 ZINC000228032593 646611762 /nfs/dbraw/zinc/61/17/62/646611762.db2.gz PPMVDKZJMZLACU-LLVKDONJSA-N 1 0 311.735 2.478 10 0 DEAERO COC(OC)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000229822258 646702903 /nfs/dbraw/zinc/70/29/03/646702903.db2.gz VVXKPQJQPZRHEI-QWHCGFSZSA-N 1 0 316.442 2.231 10 0 DEAERO CCC[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1NS(C)(=O)=O ZINC000230002780 646710886 /nfs/dbraw/zinc/71/08/86/646710886.db2.gz LFSRPHZFOARQBY-RVHKNYROSA-N 1 0 322.474 2.350 10 0 DEAERO C[NH+](C)C1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172978699 646758133 /nfs/dbraw/zinc/75/81/33/646758133.db2.gz XVNSRIIXHPKPAE-INIZCTEOSA-N 1 0 303.406 2.038 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCCSC(F)(F)F)CC[N@@H+]1C ZINC000174103877 646792570 /nfs/dbraw/zinc/79/25/70/646792570.db2.gz UUXKXRYJVONLTB-NXEZZACHSA-N 1 0 313.389 2.364 10 0 DEAERO COC(=O)c1cn(C[N@@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)nn1 ZINC000151526159 646852700 /nfs/dbraw/zinc/85/27/00/646852700.db2.gz FUYFMOUFPNPGJF-UONOGXRCSA-N 1 0 314.389 2.209 10 0 DEAERO CC[N@H+](C[C@@H](O)CN1CCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000731399492 647473532 /nfs/dbraw/zinc/47/35/32/647473532.db2.gz KTPGSOYGSOWMBY-AEFFLSMTSA-N 1 0 320.477 2.405 10 0 DEAERO CC(=O)OC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000153498784 647488165 /nfs/dbraw/zinc/48/81/65/647488165.db2.gz QWFDYTFBXMWPHU-UONOGXRCSA-N 1 0 318.417 2.280 10 0 DEAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)/C=C/c2ccc(F)cc2)C1 ZINC000175236087 648339536 /nfs/dbraw/zinc/33/95/36/648339536.db2.gz WAZAEQWPNQTFJF-GDXASINISA-N 1 0 312.410 2.200 10 0 DEAERO CO[C@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181295955 648609909 /nfs/dbraw/zinc/60/99/09/648609909.db2.gz ASCFXZSCLRZPMW-CXAGYDPISA-N 1 0 303.402 2.328 10 0 DEAERO COc1cccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000073184659 649654733 /nfs/dbraw/zinc/65/47/33/649654733.db2.gz VZKBDJWZNCWWOF-MRXNPFEDSA-N 1 0 307.390 2.209 10 0 DEAERO [NH3+][C@H](CC1CC1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379659456 685393153 /nfs/dbraw/zinc/39/31/53/685393153.db2.gz ARYYMYQGYZXCJF-QZTJIDSGSA-N 1 0 315.461 2.285 10 0 DEAERO Cc1ccn2c(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)cnc2c1 ZINC000092070115 684040910 /nfs/dbraw/zinc/04/09/10/684040910.db2.gz SWWKDXQXFWLXIB-HNNXBMFYSA-N 1 0 310.405 2.146 10 0 DEAERO Cn1cc(CCC(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000117092744 684067276 /nfs/dbraw/zinc/06/72/76/684067276.db2.gz JDVFMVSCPYFQHW-QGZVFWFLSA-N 1 0 313.401 2.170 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)CCCc2ccccn2)C1 ZINC000125992383 684150345 /nfs/dbraw/zinc/15/03/45/684150345.db2.gz BPKXGDZMDVQTJK-KRWDZBQOSA-N 1 0 320.433 2.304 10 0 DEAERO C[N@H+](Cc1cc(Cl)nc2ccccc12)CC(C)(CO)CO ZINC000128963713 684175370 /nfs/dbraw/zinc/17/53/70/684175370.db2.gz QGHHAONXXPPBEW-UHFFFAOYSA-N 1 0 308.809 2.311 10 0 DEAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000188071005 684348252 /nfs/dbraw/zinc/34/82/52/684348252.db2.gz FYGJJNKICLOIQR-CYBMUJFWSA-N 1 0 304.390 2.456 10 0 DEAERO CCc1ccc(N2CCN(C(=O)c3c[nH+]ccc3N)CC2)cc1 ZINC000188243560 684352208 /nfs/dbraw/zinc/35/22/08/684352208.db2.gz BXULIBFZKWBZLY-UHFFFAOYSA-N 1 0 310.401 2.189 10 0 DEAERO Cc1cccc(C[C@H](CO)[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000189026435 684370241 /nfs/dbraw/zinc/37/02/41/684370241.db2.gz UAGMSSLPPUTTQF-QGZVFWFLSA-N 1 0 320.396 2.208 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CN1C[C@H](CC(C)(C)C)OC1=O ZINC000190261939 684399797 /nfs/dbraw/zinc/39/97/97/684399797.db2.gz LMCFDTAHHDQKEX-KFWWJZLASA-N 1 0 309.454 2.369 10 0 DEAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C2=CCCCO2)C1 ZINC000190655885 684410356 /nfs/dbraw/zinc/41/03/56/684410356.db2.gz RQBQGPXFMLJSGC-INIZCTEOSA-N 1 0 315.417 2.056 10 0 DEAERO [O-]c1ccc(Cl)c(F)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000190774534 684413151 /nfs/dbraw/zinc/41/31/51/684413151.db2.gz CCYNEOMTIPWDCY-UHFFFAOYSA-N 1 0 316.804 2.387 10 0 DEAERO Cc1nnc(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)o1 ZINC000191907150 684438751 /nfs/dbraw/zinc/43/87/51/684438751.db2.gz YYCCGXKKVFTKKJ-RYUDHWBXSA-N 1 0 310.398 2.161 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccoc2Cl)C1 ZINC000192584680 684452835 /nfs/dbraw/zinc/45/28/35/684452835.db2.gz BEHBRQLFRKDWMB-LLVKDONJSA-N 1 0 301.770 2.447 10 0 DEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000193494201 685042085 /nfs/dbraw/zinc/04/20/85/685042085.db2.gz HCAWTBZUOBQHFQ-YPMHNXCESA-N 1 0 316.430 2.031 10 0 DEAERO CCC[NH+]1CCC(CNc2nc(C)nc3c2cnn3C)CC1 ZINC000195405049 685097233 /nfs/dbraw/zinc/09/72/33/685097233.db2.gz FQHCYMLWQLFKCR-UHFFFAOYSA-N 1 0 302.426 2.206 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000246295072 685127686 /nfs/dbraw/zinc/12/76/86/685127686.db2.gz NOLGKOZCABQVCJ-BZUAXINKSA-N 1 0 308.397 2.273 10 0 DEAERO Cc1noc(C)c1CN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247079935 685142314 /nfs/dbraw/zinc/14/23/14/685142314.db2.gz JDNOJAJXPSRGSW-ABAIWWIYSA-N 1 0 308.426 2.162 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NCC2(O)CCCC2)[C@H]1c1ccccc1 ZINC000248088209 685154935 /nfs/dbraw/zinc/15/49/35/685154935.db2.gz TUYHXSNEQHKTGF-HZPDHXFCSA-N 1 0 317.433 2.036 10 0 DEAERO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCO[C@@H]1c1nc(C2CC2)no1 ZINC000886081978 691999261 /nfs/dbraw/zinc/99/92/61/691999261.db2.gz PCAHMAHLMNFFRD-JSGCOSHPSA-N 1 0 317.393 2.154 10 0 DEAERO O=C(Cc1ccc(F)cc1F)Nc1ccc([C@@H]2CCC[NH2+]2)nn1 ZINC000886085514 692000030 /nfs/dbraw/zinc/00/00/30/692000030.db2.gz SIVNYSCKMQHEHU-ZDUSSCGKSA-N 1 0 318.327 2.361 10 0 DEAERO O=C(Cc1c(F)cccc1F)Nc1ccc([C@@H]2CCC[NH2+]2)nn1 ZINC000886085620 692000598 /nfs/dbraw/zinc/00/05/98/692000598.db2.gz XHKJWMMYTXMSQG-ZDUSSCGKSA-N 1 0 318.327 2.361 10 0 DEAERO Cc1noc(C[C@]2(O)CCC[N@H+](CCc3cccc(C)c3)C2)n1 ZINC000886091815 692001328 /nfs/dbraw/zinc/00/13/28/692001328.db2.gz ZGFVFGKDAGPLOM-GOSISDBHSA-N 1 0 315.417 2.299 10 0 DEAERO CC(C)[C@](C)(CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000398536611 790278491 /nfs/dbraw/zinc/27/84/91/790278491.db2.gz DRWJNKMVFLKJSS-HIFRSBDPSA-N 1 0 301.814 2.076 10 0 DEAERO C[C@@](O)(C[NH2+]CCOC1CCCC1)C(F)(F)C(F)(F)F ZINC000724042837 777229403 /nfs/dbraw/zinc/22/94/03/777229403.db2.gz RWUJKHJQFIUFQV-SNVBAGLBSA-N 1 0 305.287 2.484 10 0 DEAERO CO[C@@]1(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CCSC1 ZINC000724073274 777235184 /nfs/dbraw/zinc/23/51/84/777235184.db2.gz ZTECXBFOUHQBJY-RKDXNWHRSA-N 1 0 323.327 2.047 10 0 DEAERO CCO[C@H]1CCC[C@@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000724624628 777406956 /nfs/dbraw/zinc/40/69/56/777406956.db2.gz DDNAHVOHFVLJFS-MCIONIFRSA-N 1 0 314.426 2.475 10 0 DEAERO Brc1ccccc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724636581 777418050 /nfs/dbraw/zinc/41/80/50/777418050.db2.gz NIEMUFNJISYYGC-DYEKYZERSA-N 1 0 312.207 2.343 10 0 DEAERO Brc1csc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000724660423 777442309 /nfs/dbraw/zinc/44/23/09/777442309.db2.gz PTCBRTMHYBXRCR-UISBYWKRSA-N 1 0 318.236 2.404 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC(O)C3)CN(C(=O)OC(C)(C)C)C1 ZINC000724916894 777519928 /nfs/dbraw/zinc/51/99/28/777519928.db2.gz DUYMMEQSFHEXCZ-ZOVYBMJKSA-N 1 0 310.438 2.135 10 0 DEAERO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)n1 ZINC000724945765 777530744 /nfs/dbraw/zinc/53/07/44/777530744.db2.gz ZKRYASNYFDEAST-LBPRGKRZSA-N 1 0 307.394 2.195 10 0 DEAERO CN(Cc1ccc(Br)s1)C1(C[NH3+])CCOCC1 ZINC000725036579 777565045 /nfs/dbraw/zinc/56/50/45/777565045.db2.gz OQUFGVONQDTRAW-UHFFFAOYSA-N 1 0 319.268 2.450 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000725116335 777587409 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CCC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)C1CCCC1 ZINC000721242342 781740298 /nfs/dbraw/zinc/74/02/98/781740298.db2.gz LDKVESFKVRAWIY-LSDHHAIUSA-N 1 0 303.468 2.139 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CS(=O)(=O)c1ccccc1C(F)(F)F ZINC000721122970 783901588 /nfs/dbraw/zinc/90/15/88/783901588.db2.gz GOUZDRVCHXZGNC-ZJUUUORDSA-N 1 0 307.337 2.335 10 0 DEAERO CCO[C@@H]1CCC[C@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)C1 ZINC000721231177 784270748 /nfs/dbraw/zinc/27/07/48/784270748.db2.gz PEZOGQLNDLAXDV-UONOGXRCSA-N 1 0 303.468 2.139 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(O)c(F)c2)CO1 ZINC000722500205 787331574 /nfs/dbraw/zinc/33/15/74/787331574.db2.gz IGVICLZMDGZTAZ-LLVKDONJSA-N 1 0 312.341 2.172 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c1C ZINC000722566788 787333857 /nfs/dbraw/zinc/33/38/57/787333857.db2.gz JMYPQTPCGSRCFU-GFCCVEGCSA-N 1 0 302.465 2.094 10 0 DEAERO CN1C[C@H](CC[NH2+]Cc2cc(Br)cs2)CC1=O ZINC000723551388 787344413 /nfs/dbraw/zinc/34/44/13/787344413.db2.gz GZVKJSFXZGBQRT-SECBINFHSA-N 1 0 317.252 2.469 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1cnccn1 ZINC000723823164 787345651 /nfs/dbraw/zinc/34/56/51/787345651.db2.gz HHCACKHGULELFU-CHWSQXEVSA-N 1 0 306.410 2.069 10 0 DEAERO CC[C@@H](C)[C@H](C[NH2+]Cc1cn(C)nc1Br)OC ZINC000712443643 792186722 /nfs/dbraw/zinc/18/67/22/792186722.db2.gz FWBZJASXENWHSF-KOLCDFICSA-N 1 0 304.232 2.333 10 0 DEAERO Cn1cc(C[NH2+]CC(C)(C)CCCO)c(Br)n1 ZINC000712494707 792190211 /nfs/dbraw/zinc/19/02/11/792190211.db2.gz AMFWYVOVEVJYDT-UHFFFAOYSA-N 1 0 304.232 2.071 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000712597234 792191772 /nfs/dbraw/zinc/19/17/72/792191772.db2.gz WPVPYOUQMIDKPQ-RRFJBIMHSA-N 1 0 311.470 2.364 10 0 DEAERO CCN1CC[C@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000712593396 792191947 /nfs/dbraw/zinc/19/19/47/792191947.db2.gz BQPANFVHJPAWMY-CABCVRRESA-N 1 0 311.470 2.460 10 0 DEAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000714252621 792305950 /nfs/dbraw/zinc/30/59/50/792305950.db2.gz CJNJTZSFDVRSDT-HAQNSBGRSA-N 1 0 307.337 2.371 10 0 DEAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC000714248305 792306646 /nfs/dbraw/zinc/30/66/46/792306646.db2.gz IBRZATSQLZWZLX-XYPYZODXSA-N 1 0 318.236 2.114 10 0 DEAERO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCS2(=O)=O)CCO1 ZINC000714336185 792308719 /nfs/dbraw/zinc/30/87/19/792308719.db2.gz ACOGQOOSIOVSQZ-MCIONIFRSA-N 1 0 303.468 2.137 10 0 DEAERO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2ccsc2)CC1 ZINC000714478953 792322546 /nfs/dbraw/zinc/32/25/46/792322546.db2.gz JDHFOKXBRDQIMZ-UHFFFAOYSA-N 1 0 302.465 2.134 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)NCc1ncc(Br)s1 ZINC000714935810 792358872 /nfs/dbraw/zinc/35/88/72/792358872.db2.gz SRGPZQBINMZKBC-UHFFFAOYSA-N 1 0 320.256 2.287 10 0 DEAERO [NH3+]C[C@@H]1C[C@@H]1c1nc(Cc2ccccc2Br)no1 ZINC000714875636 792363014 /nfs/dbraw/zinc/36/30/14/792363014.db2.gz CNKJCGMTGTYFCV-UWVGGRQHSA-N 1 0 308.179 2.485 10 0 DEAERO O=C(NC12CC[NH+](CC1)C2)c1cc(F)ccc1Br ZINC000715502163 792470333 /nfs/dbraw/zinc/47/03/33/792470333.db2.gz QIPMHHSYRYWVFP-UHFFFAOYSA-N 1 0 313.170 2.166 10 0 DEAERO CCCn1cc([C@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC000715897157 792532334 /nfs/dbraw/zinc/53/23/34/792532334.db2.gz QFLOTDCQUPOGLL-LBPRGKRZSA-N 1 0 323.441 2.206 10 0 DEAERO C[C@@H](C[NH2+]C1CC(S(C)(=O)=O)C1)COCc1ccccc1 ZINC000716106113 792555807 /nfs/dbraw/zinc/55/58/07/792555807.db2.gz YEOKFKSVOBTGQI-JEYLPNPQSA-N 1 0 311.447 2.005 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](O)C(F)F ZINC000716751136 793004935 /nfs/dbraw/zinc/00/49/35/793004935.db2.gz DMKRYZQCFFOZOQ-SRVKXCTJSA-N 1 0 322.396 2.286 10 0 DEAERO CC[C@H](C[C@@H](C)O)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000716852981 793009976 /nfs/dbraw/zinc/00/99/76/793009976.db2.gz NKMQHCKBRMBFSW-MRVWCRGKSA-N 1 0 301.814 2.219 10 0 DEAERO [NH3+][C@@H]1CN(C(=O)NCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000717030933 798972363 /nfs/dbraw/zinc/97/23/63/798972363.db2.gz DMHCRDFNFFRTAX-NWDGAFQWSA-N 1 0 301.312 2.108 10 0 DEAERO [NH3+][C@H]1CN(c2ncnc3ccsc32)CC[C@@H]1C(F)(F)F ZINC000717087340 799193414 /nfs/dbraw/zinc/19/34/14/799193414.db2.gz BUFQSISLNAYGRF-YUMQZZPRSA-N 1 0 302.325 2.407 10 0 DEAERO C[C@H](NC(=O)c1ccccc1)C(=O)OCCC[NH+]1CCCCC1 ZINC000800075279 799306271 /nfs/dbraw/zinc/30/62/71/799306271.db2.gz YDAIIVZVSPWULV-HNNXBMFYSA-N 1 0 318.417 2.224 10 0 DEAERO CC(C)(C)n1cc(C(=O)C(=O)OCCC[NH+]2CCCCC2)cn1 ZINC000800141958 799321094 /nfs/dbraw/zinc/32/10/94/799321094.db2.gz KHECBZYZCLFALN-UHFFFAOYSA-N 1 0 321.421 2.240 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@H](O)C3CC3)C[C@@H]2C1 ZINC000400984746 801813995 /nfs/dbraw/zinc/81/39/95/801813995.db2.gz XWNURPIMXKCWEY-FZKCQIBNSA-N 1 0 324.465 2.383 10 0 DEAERO C[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401771034 801849854 /nfs/dbraw/zinc/84/98/54/801849854.db2.gz OJSFUNKHPBXTQE-HZSPNIEDSA-N 1 0 300.443 2.240 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C2CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401786741 801852802 /nfs/dbraw/zinc/85/28/02/801852802.db2.gz ABRXVARYHVNWHD-SUYBPPKGSA-N 1 0 312.454 2.383 10 0 DEAERO CC(C)(C)OC(=O)NCC1(CC[NH2+]Cc2cncnc2)CC1 ZINC000404663982 802027604 /nfs/dbraw/zinc/02/76/04/802027604.db2.gz YSXNJAWFVYCMOU-UHFFFAOYSA-N 1 0 306.410 2.261 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC2(O)CCC2)C12CCC2 ZINC000405209094 802044363 /nfs/dbraw/zinc/04/43/63/802044363.db2.gz BWQFROHYAUXUBN-CHWSQXEVSA-N 1 0 310.438 2.327 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C12CCC2 ZINC000405225638 802045059 /nfs/dbraw/zinc/04/50/59/802045059.db2.gz ONPRKCSHYXXBNL-KBPBESRZSA-N 1 0 320.437 2.309 10 0 DEAERO CC[N@H+](C)CCNCc1cc(Br)ccc1OC ZINC000049938219 1078456266 /nfs/dbraw/zinc/45/62/66/1078456266.db2.gz UWPVUQKMVDENEN-UHFFFAOYSA-N 1 0 301.228 2.499 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccnc(OCC2CC2)c1 ZINC000067335717 1079886220 /nfs/dbraw/zinc/88/62/20/1079886220.db2.gz WQGMCZVQVMBSNH-INIZCTEOSA-N 1 0 317.433 2.361 10 0 DEAERO CCc1nc(C)ncc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000071911114 1080058469 /nfs/dbraw/zinc/05/84/69/1080058469.db2.gz GEJLTVAWUKJCOH-UHFFFAOYSA-N 1 0 304.438 2.342 10 0 DEAERO C=CCc1cc(C[NH2+]C[C@H](O)C2CCOCC2)cc(OC)c1O ZINC000076905579 1080404616 /nfs/dbraw/zinc/40/46/16/1080404616.db2.gz LFSVGGBNCITVGR-INIZCTEOSA-N 1 0 321.417 2.006 10 0 DEAERO CN1CC[C@@H]1C[NH2+]Cc1ccc(I)cc1 ZINC000712527705 1081482541 /nfs/dbraw/zinc/48/25/41/1081482541.db2.gz BLEYNCDVZVUIQK-GFCCVEGCSA-N 1 0 316.186 2.085 10 0 DEAERO CC(C)(CCS(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)C1CC1 ZINC000718023712 1081864768 /nfs/dbraw/zinc/86/47/68/1081864768.db2.gz POJXREYLPCEYLM-ZFWWWQNUSA-N 1 0 300.468 2.017 10 0 DEAERO c1ccc(-c2ncc(C[NH2+]CCOC[C@H]3CCOC3)cn2)cc1 ZINC000068993971 1082130219 /nfs/dbraw/zinc/13/02/19/1082130219.db2.gz LQDDKZRQLYCVGJ-HNNXBMFYSA-N 1 0 313.401 2.286 10 0 DEAERO C[NH2+]CCN(CC(=O)Nc1ccc(F)cc1Cl)C(C)C ZINC000720776968 1086130400 /nfs/dbraw/zinc/13/04/00/1086130400.db2.gz XWACBWAULXGCHK-UHFFFAOYSA-N 1 0 301.793 2.347 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccoc1Br ZINC000720817239 1086168304 /nfs/dbraw/zinc/16/83/04/1086168304.db2.gz RHUJXQFVHPBNTK-MNOVXSKESA-N 1 0 313.195 2.351 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000720833491 1086188418 /nfs/dbraw/zinc/18/84/18/1086188418.db2.gz FEXPXFRBDUEWKM-LBPRGKRZSA-N 1 0 302.827 2.006 10 0 DEAERO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000720834011 1086189304 /nfs/dbraw/zinc/18/93/04/1086189304.db2.gz IKTPBKWNXQIDKZ-UHFFFAOYSA-N 1 0 308.806 2.098 10 0 DEAERO O=C(c1cc(Br)c[nH]1)N1CCC([NH+]2CCC2)CC1 ZINC000700413050 1086316876 /nfs/dbraw/zinc/31/68/76/1086316876.db2.gz LFBHGAHUMRKETC-UHFFFAOYSA-N 1 0 312.211 2.088 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)/C=C\c2ccc(Br)o2)C[NH2+]1 ZINC000700610871 1086322217 /nfs/dbraw/zinc/32/22/17/1086322217.db2.gz KHYZDCTWTMTOOE-BTRAVGFTSA-N 1 0 313.195 2.312 10 0 DEAERO CCn1ccnc1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701863089 1086390926 /nfs/dbraw/zinc/39/09/26/1086390926.db2.gz DOCKKGYFBNLQBA-UHFFFAOYSA-N 1 0 320.437 2.392 10 0 DEAERO Cn1ccc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCOCC2)c1 ZINC000705628148 1086619044 /nfs/dbraw/zinc/61/90/44/1086619044.db2.gz KAANVYWYHBNOJJ-UHFFFAOYSA-N 1 0 323.437 2.189 10 0 DEAERO C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)[C@@H]1CCOC1 ZINC000706535208 1086640642 /nfs/dbraw/zinc/64/06/42/1086640642.db2.gz MIBWYPSSYBQFDQ-XCCIUEIHSA-N 1 0 310.438 2.401 10 0 DEAERO O=C(CC(F)(F)C(F)(F)F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709954507 1086685636 /nfs/dbraw/zinc/68/56/36/1086685636.db2.gz SJJVKAKCHNAXHQ-SNVBAGLBSA-N 1 0 300.271 2.176 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000710997715 1086692476 /nfs/dbraw/zinc/69/24/76/1086692476.db2.gz RTPOHGRUZPNTKY-XIRDDKMYSA-N 1 0 304.434 2.248 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CCN2C(C)(C)C)C1 ZINC000710985901 1086692559 /nfs/dbraw/zinc/69/25/59/1086692559.db2.gz ZRLKIZHHQRJHRJ-CQSZACIVSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@H](CCCO)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711478941 1087120489 /nfs/dbraw/zinc/12/04/89/1087120489.db2.gz XMBWHZWEJBUFDP-MCIONIFRSA-N 1 0 300.443 2.288 10 0 DEAERO O=C(Cc1cccc(Br)c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711606648 1087173558 /nfs/dbraw/zinc/17/35/58/1087173558.db2.gz JXPGXSKIVWDLIX-HIFRSBDPSA-N 1 0 323.234 2.392 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cncnc3)CCC[C@@H]12 ZINC000711639358 1087175873 /nfs/dbraw/zinc/17/58/73/1087175873.db2.gz KOGQPVRYQRJKSB-PBHICJAKSA-N 1 0 318.421 2.498 10 0 DEAERO O=S(=O)(N[C@@H](C1CCC1)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000711868376 1087216777 /nfs/dbraw/zinc/21/67/77/1087216777.db2.gz XCLFTONCURUSOI-HUUCEWRRSA-N 1 0 300.468 2.017 10 0 DEAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cnc2n1CCC2 ZINC000719117137 1088843319 /nfs/dbraw/zinc/84/33/19/1088843319.db2.gz QKLAKAUMWAYCHG-RYUDHWBXSA-N 1 0 308.426 2.221 10 0 DEAERO Cc1nc(CN2CC[C@](C)(C[NH3+])C2)sc1Br ZINC000719241254 1088912823 /nfs/dbraw/zinc/91/28/23/1088912823.db2.gz PHTIRGWPQLYAJW-LLVKDONJSA-N 1 0 304.257 2.385 10 0 DEAERO CO[C@]1(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CCSC1 ZINC000719254324 1088915071 /nfs/dbraw/zinc/91/50/71/1088915071.db2.gz XVKYQVPNWICQPL-HNNXBMFYSA-N 1 0 318.483 2.401 10 0 DEAERO Cc1nc(CN2CC[C@@H]([NH3+])[C@H](C)C2)sc1Br ZINC000719250172 1088915263 /nfs/dbraw/zinc/91/52/63/1088915263.db2.gz FFCYYOIREZVKNN-VXNVDRBHSA-N 1 0 304.257 2.383 10 0 DEAERO Cc1nc(CN2C[C@@H](C[NH3+])[C@H](C)C2)sc1Br ZINC000719273546 1088917149 /nfs/dbraw/zinc/91/71/49/1088917149.db2.gz KYXSZILOTNZQMV-VXNVDRBHSA-N 1 0 304.257 2.241 10 0 DEAERO Cc1nc(C[NH2+]CCC2CC(O)C2)sc1Br ZINC000719286430 1088926578 /nfs/dbraw/zinc/92/65/78/1088926578.db2.gz FCIOCMOKKUPXFJ-UHFFFAOYSA-N 1 0 305.241 2.465 10 0 DEAERO CCOC(=O)C1CCC([NH2+]C[C@@]2(OC)CCSC2)CC1 ZINC000719323868 1088952124 /nfs/dbraw/zinc/95/21/24/1088952124.db2.gz LDMOXXZCXGFDCP-PIMMBPRGSA-N 1 0 301.452 2.220 10 0 DEAERO C[C@@H]1[C@@H](NC(=O)c2csc(Br)c2)CC[N@@H+]1C ZINC000719387038 1089057226 /nfs/dbraw/zinc/05/72/26/1089057226.db2.gz WGPYBEXFNPIERV-APPZFPTMSA-N 1 0 303.225 2.333 10 0 DEAERO C[C@@H]1[C@H](NC(=O)c2ccsc2Br)CC[N@@H+]1C ZINC000719399082 1089086106 /nfs/dbraw/zinc/08/61/06/1089086106.db2.gz YXJBYFNBIUOVFU-VXNVDRBHSA-N 1 0 303.225 2.333 10 0 DEAERO Cc1ccc(C[NH2+][C@@]2(CO)CCOC2)c(C)c1Br ZINC000719552332 1089289646 /nfs/dbraw/zinc/28/96/46/1089289646.db2.gz DPROLHBVCDIDLB-CQSZACIVSA-N 1 0 314.223 2.307 10 0 DEAERO Cc1ccc(C[NH2+]CCS(C)(=O)=O)c(C)c1Br ZINC000719534155 1089285957 /nfs/dbraw/zinc/28/59/57/1089285957.db2.gz GGUMDUZSSOKEPM-UHFFFAOYSA-N 1 0 320.252 2.200 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1nccn1C ZINC000700736492 1090730613 /nfs/dbraw/zinc/73/06/13/1090730613.db2.gz GRTRYLJKRWZZAE-RWMBFGLXSA-N 1 0 308.426 2.469 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC[C@@H]1C ZINC000724112499 1143953125 /nfs/dbraw/zinc/95/31/25/1143953125.db2.gz UEZSKSCIPWNTDC-IVZWLZJFSA-N 1 0 305.287 2.292 10 0 DEAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)SCCS(C)(=O)=O ZINC000081768801 192323452 /nfs/dbraw/zinc/32/34/52/192323452.db2.gz RWZRHHNOHZCVQP-GXTWGEPZSA-N 1 0 301.477 2.422 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000076856325 185047077 /nfs/dbraw/zinc/04/70/77/185047077.db2.gz FDZMYKSGOQJCDK-INIZCTEOSA-N 1 0 319.449 2.095 10 0 DEAERO Cn1nnnc1SC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000081845360 192331321 /nfs/dbraw/zinc/33/13/21/192331321.db2.gz RJJGDXGTOTZIDE-VIFPVBQESA-N 1 0 303.313 2.021 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1Sc1nnc(C)o1)OCCO2 ZINC000081877545 192333580 /nfs/dbraw/zinc/33/35/80/192333580.db2.gz CAWGWYZXPVOUFT-NWDGAFQWSA-N 1 0 313.423 2.134 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1Sc1ccncn1)OCCO2 ZINC000081886889 192333986 /nfs/dbraw/zinc/33/39/86/192333986.db2.gz NHZGFXARHPHFQM-QWHCGFSZSA-N 1 0 309.435 2.233 10 0 DEAERO CC[C@H](Sc1n[nH]c(=O)n1CC)[C@H]([NH2+]C)c1ccccc1 ZINC000081879677 192333993 /nfs/dbraw/zinc/33/39/93/192333993.db2.gz UFANOSICPOHVRG-QWHCGFSZSA-N 1 0 306.435 2.423 10 0 DEAERO CC[NH2+][C@@H](CSc1n[nH]c(=O)n1CC)c1ccccc1C ZINC000081879913 192334074 /nfs/dbraw/zinc/33/40/74/192334074.db2.gz TVKQMFSPYQSQKO-ZDUSSCGKSA-N 1 0 306.435 2.343 10 0 DEAERO CCCn1c(=O)[nH]nc1S[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000081879306 192334329 /nfs/dbraw/zinc/33/43/29/192334329.db2.gz BBAGFJAGSWVLPO-RWMBFGLXSA-N 1 0 312.483 2.486 10 0 DEAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](CC)Sc1n[nH]c(=O)n1C ZINC000081880393 192334476 /nfs/dbraw/zinc/33/44/76/192334476.db2.gz FCMCDJDONASMIS-OLZOCXBDSA-N 1 0 306.435 2.330 10 0 DEAERO CCC(CC)(CO)CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000151754381 282125333 /nfs/dbraw/zinc/12/53/33/282125333.db2.gz RWDUXKJUVKFNKA-OAHLLOKOSA-N 1 0 313.486 2.205 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCO1 ZINC000245944596 282125582 /nfs/dbraw/zinc/12/55/82/282125582.db2.gz UKKVCIBZAPYFHI-QBPKDAKJSA-N 1 0 308.466 2.382 10 0 DEAERO [NH3+]Cc1cccc(S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000163050283 197609296 /nfs/dbraw/zinc/60/92/96/197609296.db2.gz MWMQFCIPDFXLAF-UHFFFAOYSA-N 1 0 309.362 2.137 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000151920531 282130165 /nfs/dbraw/zinc/13/01/65/282130165.db2.gz RCRSUQHQVQITCI-SNVBAGLBSA-N 1 0 319.331 2.051 10 0 DEAERO C[NH+]1CCN(c2cccc(C(=O)NC3CCCCCC3)n2)CC1 ZINC000096780353 185387519 /nfs/dbraw/zinc/38/75/19/185387519.db2.gz KDLRSEFVQWJILQ-UHFFFAOYSA-N 1 0 316.449 2.286 10 0 DEAERO CCC[NH2+]C[C@](C)(O)c1c(Br)cnn1C(C)C ZINC000163503940 197634947 /nfs/dbraw/zinc/63/49/47/197634947.db2.gz QJCUWFVQEJFWHB-LBPRGKRZSA-N 1 0 304.232 2.434 10 0 DEAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000163697883 197646459 /nfs/dbraw/zinc/64/64/59/197646459.db2.gz JYPQGXOAXHFJCS-SMDDNHRTSA-N 1 0 319.829 2.434 10 0 DEAERO CC[NH2+][C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000081933675 192340932 /nfs/dbraw/zinc/34/09/32/192340932.db2.gz RBKRLKPZCPFYQX-SECBINFHSA-N 1 0 306.225 2.221 10 0 DEAERO C[NH2+]C[C@@H]1CCC[C@H]1c1c(Br)cnn1CCOC ZINC000163774575 197648575 /nfs/dbraw/zinc/64/85/75/197648575.db2.gz RJMJTQJWTRIVPF-WDEREUQCSA-N 1 0 316.243 2.395 10 0 DEAERO COCCn1ncc(Br)c1[C@@](F)(C[NH3+])C(C)(C)C ZINC000164024137 197652001 /nfs/dbraw/zinc/65/20/01/197652001.db2.gz DEIPYBPZFROHOF-LBPRGKRZSA-N 1 0 322.222 2.462 10 0 DEAERO Cn1ncc(Br)c1C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000164418165 197653029 /nfs/dbraw/zinc/65/30/29/197653029.db2.gz FLFWCTGMKKNKIB-DTWKUNHWSA-N 1 0 300.200 2.130 10 0 DEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000181286609 199275554 /nfs/dbraw/zinc/27/55/54/199275554.db2.gz XPVSIBIWWVCYEY-VYDXJSESSA-N 1 0 319.449 2.374 10 0 DEAERO COC(=O)[C@@H](NC(=O)CC[C@@H](CC[NH3+])C(C)(C)C)C(C)C ZINC000079290665 185163614 /nfs/dbraw/zinc/16/36/14/185163614.db2.gz BOYNEKMQCVDQFK-JSGCOSHPSA-N 1 0 300.443 2.092 10 0 DEAERO C[NH2+]C1CCN(C(=O)CCCOc2cccc(C(C)=O)c2)CC1 ZINC000179142216 290637520 /nfs/dbraw/zinc/63/75/20/290637520.db2.gz CWLONEGOPNDWMN-UHFFFAOYSA-N 1 0 318.417 2.259 10 0 DEAERO CC(C)[NH2+][C@](CSc1ncccc1Cl)(C(N)=O)C1CC1 ZINC000079448576 185172245 /nfs/dbraw/zinc/17/22/45/185172245.db2.gz HMVMODQIVTXTPP-AWEZNQCLSA-N 1 0 313.854 2.459 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)CCOC)c1cc2ccccc2o1 ZINC000081944465 192345757 /nfs/dbraw/zinc/34/57/57/192345757.db2.gz QLSRDOCXBHLGJU-ZDUSSCGKSA-N 1 0 311.403 2.145 10 0 DEAERO Cn1ccc2c1ncnc2Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000082359434 185177792 /nfs/dbraw/zinc/17/77/92/185177792.db2.gz AJNYLXGBPAJJLW-UHFFFAOYSA-N 1 0 322.416 2.464 10 0 DEAERO C[C@](O)(C[NH3+])CCCSc1ccc(Br)cn1 ZINC000082917613 185209481 /nfs/dbraw/zinc/20/94/81/185209481.db2.gz ZXPISCCMPQADHB-LLVKDONJSA-N 1 0 305.241 2.426 10 0 DEAERO C[C@H](C[C@@](C)([NH3+])CO)Sc1ncccc1Br ZINC000082905358 185209511 /nfs/dbraw/zinc/20/95/11/185209511.db2.gz GNFGBAFAEJVSHX-LDYMZIIASA-N 1 0 305.241 2.425 10 0 DEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ncc(Br)s1 ZINC000082920890 185209516 /nfs/dbraw/zinc/20/95/16/185209516.db2.gz WYQUQIYSROUQDL-BQBZGAKWSA-N 1 0 304.213 2.362 10 0 DEAERO C[C@]([NH3+])(CO)CCCSc1ncccc1Br ZINC000082905371 185209522 /nfs/dbraw/zinc/20/95/22/185209522.db2.gz ZOOTYOFZGDWCDN-LLVKDONJSA-N 1 0 305.241 2.426 10 0 DEAERO CCN(CCCO)c1cc(Br)ccc1C[NH2+]C ZINC000165273656 197673194 /nfs/dbraw/zinc/67/31/94/197673194.db2.gz DWLJGRXUWZDXFI-UHFFFAOYSA-N 1 0 301.228 2.377 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(N3CCCCCC3)nc2)C1 ZINC000170867172 282180486 /nfs/dbraw/zinc/18/04/86/282180486.db2.gz LLOTULXARDPHJK-MRXNPFEDSA-N 1 0 316.449 2.238 10 0 DEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000087403884 185223778 /nfs/dbraw/zinc/22/37/78/185223778.db2.gz IMZOTWRSGCZYCM-QMMMGPOBSA-N 1 0 311.234 2.399 10 0 DEAERO CC(C)[C@H](C[NH3+])NC(=O)c1ccc(F)cc1Br ZINC000087403543 185223966 /nfs/dbraw/zinc/22/39/66/185223966.db2.gz UHSONGXTFLXCQZ-NSHDSACASA-N 1 0 303.175 2.301 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000087455552 185225532 /nfs/dbraw/zinc/22/55/32/185225532.db2.gz BCVNZGCJVQYMMU-MNOVXSKESA-N 1 0 308.451 2.192 10 0 DEAERO C[NH2+]CCC1CCN(C(=O)c2snnc2C(C)(C)C)CC1 ZINC000087456061 185225561 /nfs/dbraw/zinc/22/55/61/185225561.db2.gz QEDRWAUQDVPXFZ-UHFFFAOYSA-N 1 0 310.467 2.297 10 0 DEAERO COC1([C@@H]([NH3+])[C@@H]2CCOC3(CCSCC3)C2)CCOCC1 ZINC000165400905 197674994 /nfs/dbraw/zinc/67/49/94/197674994.db2.gz JFHUHXBIIHOTNT-KGLIPLIRSA-N 1 0 315.479 2.202 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)N(C)Cc1ccc(Br)o1 ZINC000087527160 185227631 /nfs/dbraw/zinc/22/76/31/185227631.db2.gz BTVCFUADMQRLDF-SECBINFHSA-N 1 0 303.200 2.376 10 0 DEAERO CC(C)[C@H](C[NH3+])c1nc(-c2ccc(S(C)(=O)=O)cc2)c[nH]1 ZINC000087537376 185227957 /nfs/dbraw/zinc/22/79/57/185227957.db2.gz QDGJGNMDKPFRBB-ZDUSSCGKSA-N 1 0 307.419 2.179 10 0 DEAERO CC(C)[C@@H](C[NH3+])c1nc(-c2ccc(S(C)(=O)=O)cc2)c[nH]1 ZINC000087537374 185228137 /nfs/dbraw/zinc/22/81/37/185228137.db2.gz QDGJGNMDKPFRBB-CYBMUJFWSA-N 1 0 307.419 2.179 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1sccc1Br ZINC000087575690 185228773 /nfs/dbraw/zinc/22/87/73/185228773.db2.gz RAXZANFFCDHQEJ-APPZFPTMSA-N 1 0 303.225 2.254 10 0 DEAERO C[NH2+][C@@H](c1sccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000087630648 185229554 /nfs/dbraw/zinc/22/95/54/185229554.db2.gz QJQPSNIBVYANCE-IONNQARKSA-N 1 0 324.265 2.206 10 0 DEAERO NNc1cc(NCc2cc(Br)cs2)nc[nH+]1 ZINC000087880232 185234448 /nfs/dbraw/zinc/23/44/48/185234448.db2.gz XMVXLPQWTPHIMO-UHFFFAOYSA-N 1 0 300.185 2.198 10 0 DEAERO C[C@H](C[NH3+])CS(=O)(=O)Cc1ccc(Br)s1 ZINC000088090310 185239529 /nfs/dbraw/zinc/23/95/29/185239529.db2.gz UMQWMPWBIMIVJJ-SSDOTTSWSA-N 1 0 312.254 2.020 10 0 DEAERO COc1ccc(Br)c(C[C@@](C)(C[NH3+])[C@H](C)O)c1 ZINC000087932090 185237654 /nfs/dbraw/zinc/23/76/54/185237654.db2.gz KWXOSLKGYSWIHA-ZANVPECISA-N 1 0 302.212 2.346 10 0 DEAERO COc1ccc(C[C@@](C)(C[NH3+])[C@@H](C)O)cc1Br ZINC000087932043 185237765 /nfs/dbraw/zinc/23/77/65/185237765.db2.gz YVXXWCNDOKPNRU-RNCFNFMXSA-N 1 0 302.212 2.346 10 0 DEAERO CC[C@H]([NH3+])CS(=O)(=O)Cc1ccccc1Br ZINC000088074705 185239021 /nfs/dbraw/zinc/23/90/21/185239021.db2.gz CDIUHDVISGEPND-JTQLQIEISA-N 1 0 306.225 2.101 10 0 DEAERO CCOC1CC[NH+](Cc2ccc(OC)c(C(N)=S)c2)CC1 ZINC000087832485 185232447 /nfs/dbraw/zinc/23/24/47/185232447.db2.gz DPLDOPUUFZGVLU-UHFFFAOYSA-N 1 0 308.447 2.330 10 0 DEAERO CCC[NH2+][C@H]1CCCCCC[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081974765 192348062 /nfs/dbraw/zinc/34/80/62/192348062.db2.gz YWFNZIMKAKUABU-UONOGXRCSA-N 1 0 319.467 2.055 10 0 DEAERO CCC(CC)(C(N)=S)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164586 185240896 /nfs/dbraw/zinc/24/08/96/185240896.db2.gz NOMDJTTYHBSTFQ-YHWZYXNKSA-N 1 0 311.495 2.210 10 0 DEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1c2nsnc2ccc1Cl ZINC000088128046 185240338 /nfs/dbraw/zinc/24/03/38/185240338.db2.gz RLBIORWAPOKPDH-SNVBAGLBSA-N 1 0 308.794 2.202 10 0 DEAERO CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000088275941 185244645 /nfs/dbraw/zinc/24/46/45/185244645.db2.gz UBVGWWDAVOGNGI-LBPRGKRZSA-N 1 0 312.435 2.040 10 0 DEAERO CC[NH2+][C@@H]1CCN(c2ccc(OC)c(Br)c2)C1=O ZINC000088320462 185245412 /nfs/dbraw/zinc/24/54/12/185245412.db2.gz SEZLRPJXVSKSDT-LLVKDONJSA-N 1 0 313.195 2.173 10 0 DEAERO COc1ccc(-n2nnc([C@@H](C)[NH3+])c2C)cc1Br ZINC000088321112 185245596 /nfs/dbraw/zinc/24/55/96/185245596.db2.gz GSSWCYGCAMFLLS-SSDOTTSWSA-N 1 0 311.183 2.367 10 0 DEAERO CCCCS(=O)(=O)C[C@@H]([NH2+]CC)c1ccc2c(c1)OCO2 ZINC000081973904 192348464 /nfs/dbraw/zinc/34/84/64/192348464.db2.gz NCZFCGRFHAITHB-CYBMUJFWSA-N 1 0 313.419 2.281 10 0 DEAERO Cc1nn(C)c(C)c1Oc1ncc(Br)cc1C[NH3+] ZINC000088453638 185251759 /nfs/dbraw/zinc/25/17/59/185251759.db2.gz KGZNNDHFUZODJA-UHFFFAOYSA-N 1 0 311.183 2.445 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(O)ccc2C(F)(F)F)C1 ZINC000193137681 282200244 /nfs/dbraw/zinc/20/02/44/282200244.db2.gz URYAHZINJQXEFW-SECBINFHSA-N 1 0 302.296 2.187 10 0 DEAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)Nc2cnc(Br)cn2)C1 ZINC000088446385 185251334 /nfs/dbraw/zinc/25/13/34/185251334.db2.gz VAJOOEOHERGNSX-UFBFGSQYSA-N 1 0 313.199 2.085 10 0 DEAERO C[NH2+][C@@H](Cc1nc2ccccc2s1)C(C)(C)S(C)(=O)=O ZINC000088518735 185254500 /nfs/dbraw/zinc/25/45/00/185254500.db2.gz AIMPVAFYCLFJHV-LBPRGKRZSA-N 1 0 312.460 2.250 10 0 DEAERO CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088543221 185256013 /nfs/dbraw/zinc/25/60/13/185256013.db2.gz ZDMOVBJGTAUISI-DGCLKSJQSA-N 1 0 300.424 2.246 10 0 DEAERO CC[NH2+][C@@H](C)C1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC000088714745 185262773 /nfs/dbraw/zinc/26/27/73/185262773.db2.gz ITMVAGQPRYPCKF-AWEZNQCLSA-N 1 0 310.463 2.394 10 0 DEAERO CC[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C[NH2+]C)o2)C1 ZINC000088551459 185257540 /nfs/dbraw/zinc/25/75/40/185257540.db2.gz XHLZQNGJFYXYTN-NWDGAFQWSA-N 1 0 300.424 2.246 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)C(C)C)c1ccc(OC)c(OC)c1 ZINC000081981352 192349462 /nfs/dbraw/zinc/34/94/62/192349462.db2.gz SDAVJGCAMQDMRH-ZDUSSCGKSA-N 1 0 315.435 2.178 10 0 DEAERO Cc1ccccc1S(=O)(=O)N[C@H]1CCC[C@@H]1n1ccnc1 ZINC000088717670 185263208 /nfs/dbraw/zinc/26/32/08/185263208.db2.gz TVPMQRBBFRPBHN-KBPBESRZSA-N 1 0 305.403 2.264 10 0 DEAERO Cc1ccccc1S(=O)(=O)N(C)c1ccc(C(N)=[NH2+])cc1 ZINC000088716999 185263227 /nfs/dbraw/zinc/26/32/27/185263227.db2.gz YDQKKEJVGXDSCP-UHFFFAOYSA-N 1 0 303.387 2.104 10 0 DEAERO COC(C[C@@](C)(C[NH3+])N(C)Cc1cccc(Cl)c1)OC ZINC000090265794 185288370 /nfs/dbraw/zinc/28/83/70/185288370.db2.gz VNOVRPRXTXEAGI-HNNXBMFYSA-N 1 0 300.830 2.498 10 0 DEAERO C[C@@](O)(CO)C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000090285300 185289287 /nfs/dbraw/zinc/28/92/87/185289287.db2.gz MYQPZFIZOUIHTK-MGULZYLOSA-N 1 0 314.223 2.028 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000090293251 185289891 /nfs/dbraw/zinc/28/98/91/185289891.db2.gz FFGILAYYUABMEY-UHFFFAOYSA-N 1 0 310.463 2.293 10 0 DEAERO C[NH2+]Cc1cn(-c2c3nsnc3c(Cl)cc2Cl)nn1 ZINC000090300312 185290092 /nfs/dbraw/zinc/29/00/92/185290092.db2.gz RQKNPJZMSAVZNB-UHFFFAOYSA-N 1 0 315.189 2.298 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Br)o1 ZINC000090331056 185291186 /nfs/dbraw/zinc/29/11/86/185291186.db2.gz ZECFGEGNDKSGFW-KXUCPTDWSA-N 1 0 313.195 2.112 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)Cc1c(F)cccc1Cl ZINC000090336562 185291686 /nfs/dbraw/zinc/29/16/86/185291686.db2.gz WHDMDFIQOXHHHP-ZYHUDNBSSA-N 1 0 310.800 2.478 10 0 DEAERO CC(C)([NH3+])CSCC(=O)Nc1ccc(Br)cn1 ZINC000090358324 185292270 /nfs/dbraw/zinc/29/22/70/185292270.db2.gz LKMBMKHGGMUOOV-UHFFFAOYSA-N 1 0 318.240 2.253 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1c1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000090364594 185292670 /nfs/dbraw/zinc/29/26/70/185292670.db2.gz QGDSQTQMWZTUSS-KWQFWETISA-N 1 0 314.172 2.408 10 0 DEAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[C@H](C)[S@](C)=O ZINC000090514105 185299833 /nfs/dbraw/zinc/29/98/33/185299833.db2.gz XCAHMRSLWDSQFX-RRMDADRESA-N 1 0 311.447 2.483 10 0 DEAERO CCCOc1ccc(NC(=O)[C@H]2COC[C@@H]2[NH2+]C)cc1Cl ZINC000090434324 185296186 /nfs/dbraw/zinc/29/61/86/185296186.db2.gz JUZQDJNOOUZHKJ-AAEUAGOBSA-N 1 0 312.797 2.302 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000090437617 185296239 /nfs/dbraw/zinc/29/62/39/185296239.db2.gz QDLQYSWVAPQGDF-GZMMTYOYSA-N 1 0 306.259 2.017 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc(Cl)c1F ZINC000090539637 185301537 /nfs/dbraw/zinc/30/15/37/185301537.db2.gz WJJFLTDXFNXHME-SKDRFNHKSA-N 1 0 300.761 2.432 10 0 DEAERO COc1ccc(CC(=O)N2CCCSC[C@@H]2C[NH+](C)C)cc1 ZINC000090699955 185310556 /nfs/dbraw/zinc/31/05/56/185310556.db2.gz WXLOVQVOKUVFEE-HNNXBMFYSA-N 1 0 322.474 2.133 10 0 DEAERO COC(=O)C1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000179903045 282234291 /nfs/dbraw/zinc/23/42/91/282234291.db2.gz MFOHFJBFHNZMEC-UHFFFAOYSA-N 1 0 312.454 2.201 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000092400191 185315935 /nfs/dbraw/zinc/31/59/35/185315935.db2.gz ZLUZTFSJBCVSST-YPMHNXCESA-N 1 0 322.232 2.340 10 0 DEAERO CC[NH2+][C@H](Cc1c(C)nn(C)c1Cl)[C@H]1CSCCO1 ZINC000167301950 197706109 /nfs/dbraw/zinc/70/61/09/197706109.db2.gz LWXKPJBIZJTNEA-VXGBXAGGSA-N 1 0 303.859 2.035 10 0 DEAERO c1ccc2c(c1)SC[C@H]2C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000092663725 185332659 /nfs/dbraw/zinc/33/26/59/185332659.db2.gz YXKZIVNESLVNNX-CABCVRRESA-N 1 0 304.459 2.282 10 0 DEAERO Cc1sc(Br)cc1[C@H]([NH3+])[C@@H](C)S(C)(=O)=O ZINC000167689060 197712163 /nfs/dbraw/zinc/71/21/63/197712163.db2.gz XVVGPQKOAWWNOI-HZGVNTEJSA-N 1 0 312.254 2.252 10 0 DEAERO CN[C@@H]1C(=O)Nc2cc(OCC[NH+]3CCCC3)c(Cl)cc21 ZINC000092770043 185339368 /nfs/dbraw/zinc/33/93/68/185339368.db2.gz ZIEAAXSPVYCRDF-AWEZNQCLSA-N 1 0 309.797 2.027 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NCC2C(C)(C)C2(C)C)c(C)o1 ZINC000092833146 185345032 /nfs/dbraw/zinc/34/50/32/185345032.db2.gz MLJLZCXZBOWJNW-UHFFFAOYSA-N 1 0 314.451 2.268 10 0 DEAERO CC(C)COc1ccc([C@H](C)[NH2+]CCCC(=O)NC(N)=O)cc1 ZINC000181390881 199289363 /nfs/dbraw/zinc/28/93/63/199289363.db2.gz YIDISZVOEUCJIU-ZDUSSCGKSA-N 1 0 321.421 2.347 10 0 DEAERO COC[C@H](C)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000186229885 282270336 /nfs/dbraw/zinc/27/03/36/282270336.db2.gz KEXHJXKGNORKQV-ZDUSSCGKSA-N 1 0 321.421 2.106 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000092954776 185350459 /nfs/dbraw/zinc/35/04/59/185350459.db2.gz IWRRXBVZENERPN-GLQYFDAESA-N 1 0 308.809 2.238 10 0 DEAERO CC(C)[NH2+]CCCc1ccc(S(=O)(=O)NC2(C)CC2)cc1 ZINC000168542142 197724742 /nfs/dbraw/zinc/72/47/42/197724742.db2.gz HKOMTVGKQWWDCQ-UHFFFAOYSA-N 1 0 310.463 2.448 10 0 DEAERO C[NH2+][C@H]1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1C ZINC000168401402 197723203 /nfs/dbraw/zinc/72/32/03/197723203.db2.gz NHAGIHXMVMBFMX-KOLCDFICSA-N 1 0 301.312 2.170 10 0 DEAERO CCc1nc(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)no1 ZINC000328654734 529735491 /nfs/dbraw/zinc/73/54/91/529735491.db2.gz XSVBJOXDJJXEQF-YOEHRIQHSA-N 1 0 315.421 2.152 10 0 DEAERO Clc1ccc(OC[C@@H]2C[NH2+]CCO2)c(Br)c1 ZINC000070834092 539345600 /nfs/dbraw/zinc/34/56/00/539345600.db2.gz XKFBXZJLFCDJEG-VIFPVBQESA-N 1 0 306.587 2.470 10 0 DEAERO CCc1ccc(CN2CC[NH+](C[C@@H](O)CSC)CC2)s1 ZINC000187894728 282293843 /nfs/dbraw/zinc/29/38/43/282293843.db2.gz QRIUKHSDZCIJEV-CYBMUJFWSA-N 1 0 314.520 2.152 10 0 DEAERO O=C(C[N@H+]1CCCC[C@@H]1CCO)NC12CC3CC(CC(C3)C1)C2 ZINC000072951469 539347671 /nfs/dbraw/zinc/34/76/71/539347671.db2.gz LEXOHHYOZGNNLC-YMVOSSCXSA-N 1 0 320.477 2.308 10 0 DEAERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](CC2=CCCOC2)CC1 ZINC000190580463 529840503 /nfs/dbraw/zinc/84/05/03/529840503.db2.gz ROQUWDJRLGFEPF-UHFFFAOYSA-N 1 0 324.465 2.071 10 0 DEAERO COCCc1ccccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000189494727 282311271 /nfs/dbraw/zinc/31/12/71/282311271.db2.gz IPAFKEHHDYVATF-UHFFFAOYSA-N 1 0 305.422 2.433 10 0 DEAERO C[C@@H](O)CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000086013754 539403367 /nfs/dbraw/zinc/40/33/67/539403367.db2.gz FAQNULQGMLDKHL-MWLCHTKSSA-N 1 0 308.205 2.094 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000089453284 539410661 /nfs/dbraw/zinc/41/06/61/539410661.db2.gz ZTEAIZPVTXIQFH-KOLCDFICSA-N 1 0 305.403 2.044 10 0 DEAERO C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cc(F)ccc1F ZINC000091134713 539418127 /nfs/dbraw/zinc/41/81/27/539418127.db2.gz ULEOUNBQOVTTAC-GXSJLCMTSA-N 1 0 300.374 2.237 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC1CCC(C)CC1 ZINC000245415107 282386077 /nfs/dbraw/zinc/38/60/77/282386077.db2.gz CZIBZFVCGHFKNC-BACDZXNISA-N 1 0 307.482 2.240 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000245434423 282388468 /nfs/dbraw/zinc/38/84/68/282388468.db2.gz PURKYOQQCMMZLR-HZMVEIRTSA-N 1 0 307.482 2.240 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000181726713 199344395 /nfs/dbraw/zinc/34/43/95/199344395.db2.gz HZFHMTRFVXWUGC-BFYDXBDKSA-N 1 0 319.449 2.234 10 0 DEAERO Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)C2)n1 ZINC000261666134 282406143 /nfs/dbraw/zinc/40/61/43/282406143.db2.gz JRIMUOGBWNSTJQ-KBXIAJHMSA-N 1 0 318.421 2.005 10 0 DEAERO C[NH2+]Cc1c(Cl)cccc1Sc1n[nH]c(=O)n1C1CC1 ZINC000111566372 185613558 /nfs/dbraw/zinc/61/35/58/185613558.db2.gz UVMIZJUULUXVDN-UHFFFAOYSA-N 1 0 310.810 2.430 10 0 DEAERO CC(C)C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000111719898 185630617 /nfs/dbraw/zinc/63/06/17/185630617.db2.gz XAYRIGZURAZBQN-OAHLLOKOSA-N 1 0 310.463 2.333 10 0 DEAERO CC(C)(C)[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cccnc1 ZINC000111721098 185631461 /nfs/dbraw/zinc/63/14/61/185631461.db2.gz BNJKRSZWIKUAEZ-CYBMUJFWSA-N 1 0 311.451 2.013 10 0 DEAERO NS(=O)(=O)CCC[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000068458399 190768658 /nfs/dbraw/zinc/76/86/58/190768658.db2.gz MVSSHMZPPBSKQS-UHFFFAOYSA-N 1 0 310.463 2.500 10 0 DEAERO c1ccc2c(c1)CC[C@H]2CC[NH+]1CCN(c2nccnn2)CC1 ZINC000625644467 365859586 /nfs/dbraw/zinc/85/95/86/365859586.db2.gz ICFZXODQDXDDJX-INIZCTEOSA-N 1 0 309.417 2.114 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000069134029 190800777 /nfs/dbraw/zinc/80/07/77/190800777.db2.gz MANNHUJRIKOAOB-QWRGUYRKSA-N 1 0 302.827 2.019 10 0 DEAERO [NH3+]C1(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)Cc2ccccc2C1 ZINC000157778220 539573648 /nfs/dbraw/zinc/57/36/48/539573648.db2.gz NVDGDQHVOWOKKO-QZTJIDSGSA-N 1 0 306.409 2.403 10 0 DEAERO CCOC(=O)CCC(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000070212485 190872305 /nfs/dbraw/zinc/87/23/05/190872305.db2.gz HMWFFWZPLXIPCO-UHFFFAOYSA-N 1 0 300.443 2.156 10 0 DEAERO C[NH2+]CC[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 ZINC000070192418 190870957 /nfs/dbraw/zinc/87/09/57/190870957.db2.gz FJEJEPKFWIKUCQ-CYBMUJFWSA-N 1 0 316.854 2.493 10 0 DEAERO O=C1N(CC2CC2)[C@@H](c2ccccc2)[C@H](O)C[C@]12CCC[NH2+]C2 ZINC000616579271 362894458 /nfs/dbraw/zinc/89/44/58/362894458.db2.gz PXDAFJQQKXWBMK-AOIWGVFYSA-N 1 0 314.429 2.101 10 0 DEAERO CC(C)(C)OC(=O)NCC[NH+]1CCC(c2cccc(N)n2)CC1 ZINC000616619094 362897738 /nfs/dbraw/zinc/89/77/38/362897738.db2.gz BRDHSDSZJZVIJQ-UHFFFAOYSA-N 1 0 320.437 2.368 10 0 DEAERO CC(C)(C)OC(=O)NCCN1CC[C@H](C[NH3+])c2ccccc21 ZINC000616674976 362907331 /nfs/dbraw/zinc/90/73/31/362907331.db2.gz HJUWEIAVMDRCQR-CYBMUJFWSA-N 1 0 305.422 2.464 10 0 DEAERO CCC1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000175655073 539624364 /nfs/dbraw/zinc/62/43/64/539624364.db2.gz JXFJYMDFWOVCOA-UHFFFAOYSA-N 1 0 324.513 2.280 10 0 DEAERO Cn1ncnc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180150570 539643911 /nfs/dbraw/zinc/64/39/11/539643911.db2.gz HQHQELNOBWHEDW-ALOPSCKCSA-N 1 0 311.433 2.100 10 0 DEAERO CCOc1ccccc1[C@H](CC)[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000179741322 539642327 /nfs/dbraw/zinc/64/23/27/539642327.db2.gz YFKFOTFXDULKJH-ZBFHGGJFSA-N 1 0 320.433 2.109 10 0 DEAERO CN(C(=O)c1cnn(CCC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000182022631 199375301 /nfs/dbraw/zinc/37/53/01/199375301.db2.gz IQKMQVAMLRNAOR-UHFFFAOYSA-N 1 0 318.343 2.002 10 0 DEAERO CC(C)[NH2+][C@](C)(CO)C[C@@H](C)Sc1nnc(N(C)C)s1 ZINC000070519895 190903327 /nfs/dbraw/zinc/90/33/27/190903327.db2.gz TVNHHYYOMXDFLE-MFKMUULPSA-N 1 0 318.512 2.224 10 0 DEAERO c1cc2cnccc2c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000183380421 539661825 /nfs/dbraw/zinc/66/18/25/539661825.db2.gz JYSPSSWCSOJEOJ-MRXNPFEDSA-N 1 0 311.429 2.389 10 0 DEAERO CC(C)[C@@H](C[NH2+]C1CC1)n1cc(I)cn1 ZINC000070678996 190911324 /nfs/dbraw/zinc/91/13/24/190911324.db2.gz BOHNVJLCPONIGT-LLVKDONJSA-N 1 0 319.190 2.437 10 0 DEAERO CNC(=O)[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)C(C)C ZINC000183642320 539663718 /nfs/dbraw/zinc/66/37/18/539663718.db2.gz ILKWZKWEVIAFBE-CYBMUJFWSA-N 1 0 318.339 2.444 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(F)ccc2Br)C1 ZINC000071139975 190935366 /nfs/dbraw/zinc/93/53/66/190935366.db2.gz NEMVDPFAZLBBHK-SNVBAGLBSA-N 1 0 315.186 2.364 10 0 DEAERO O=C1[C@H]([NH2+][C@@H]2CCCOC2)CCCN1Cc1ccc(F)cc1F ZINC000191647617 539703054 /nfs/dbraw/zinc/70/30/54/539703054.db2.gz OXQFOWKLQRIYQN-GDBMZVCRSA-N 1 0 324.371 2.224 10 0 DEAERO C[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccc2ccccc2c1 ZINC000192479764 539707132 /nfs/dbraw/zinc/70/71/32/539707132.db2.gz ZJBZUVBAHDLHNO-CYBMUJFWSA-N 1 0 323.396 2.088 10 0 DEAERO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccn1C ZINC000194957934 539719532 /nfs/dbraw/zinc/71/95/32/539719532.db2.gz WDSXQYXCRQSLPG-OAHLLOKOSA-N 1 0 301.390 2.493 10 0 DEAERO C[NH+](C)C1CCN(CCC(=O)NCc2ccccc2Cl)CC1 ZINC000193822748 539715507 /nfs/dbraw/zinc/71/55/07/539715507.db2.gz DGGPBQIVNQGTGZ-UHFFFAOYSA-N 1 0 323.868 2.372 10 0 DEAERO Cc1ccc(CNC(=O)[C@@H](C)N2CCC([NH+](C)C)CC2)cc1 ZINC000193816126 539715588 /nfs/dbraw/zinc/71/55/88/539715588.db2.gz ZPYPRQUHLZOMAW-OAHLLOKOSA-N 1 0 303.450 2.026 10 0 DEAERO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000214924336 539725495 /nfs/dbraw/zinc/72/54/95/539725495.db2.gz JOIYDKINZXKQBU-CHWSQXEVSA-N 1 0 300.424 2.231 10 0 DEAERO CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1Sc1n[nH]c(=O)n1C ZINC000083966955 192393736 /nfs/dbraw/zinc/39/37/36/192393736.db2.gz YMMMVIWFZXHQCA-UTUOFQBUSA-N 1 0 312.483 2.393 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000133326253 185974408 /nfs/dbraw/zinc/97/44/08/185974408.db2.gz AHTNCNRCYFCKDN-CYBMUJFWSA-N 1 0 318.808 2.350 10 0 DEAERO [NH3+]CCCc1cn(Cc2csc(Br)c2)nn1 ZINC000229832900 539732930 /nfs/dbraw/zinc/73/29/30/539732930.db2.gz QXSHSADJIYDIRC-UHFFFAOYSA-N 1 0 301.213 2.042 10 0 DEAERO C[NH2+]C1(C)CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000133434436 185984401 /nfs/dbraw/zinc/98/44/01/185984401.db2.gz YLHYVCPZAIPIDD-UHFFFAOYSA-N 1 0 309.841 2.030 10 0 DEAERO CC[C@@H](C)NC(=O)Cn1c(CC[NH2+]C)nc2cc(C)ccc21 ZINC000071667011 191001397 /nfs/dbraw/zinc/00/13/97/191001397.db2.gz KQBAPOXTHCWTBO-CYBMUJFWSA-N 1 0 302.422 2.021 10 0 DEAERO COc1cccc2c1CN(CCc1c(C)nn(C)c1C)[C@H]2C[NH3+] ZINC000071683160 191007103 /nfs/dbraw/zinc/00/71/03/191007103.db2.gz NUCMYTJZVKZNMM-KRWDZBQOSA-N 1 0 314.433 2.104 10 0 DEAERO COc1cc2c(c(OC)c1OC)[C@@H](C[NH3+])N(c1cccnc1)C2 ZINC000071684619 191008496 /nfs/dbraw/zinc/00/84/96/191008496.db2.gz NDOLEYXMVUGFTA-CYBMUJFWSA-N 1 0 315.373 2.127 10 0 DEAERO C[C@@H]([NH3+])c1nc(CC(=O)Nc2ccc3c(c2)OCO3)cs1 ZINC000071695630 191008551 /nfs/dbraw/zinc/00/85/51/191008551.db2.gz FDAWJPUOSNSWEA-MRVPVSSYSA-N 1 0 305.359 2.073 10 0 DEAERO CN(C)c1cccc(NC(=O)Cc2csc(CCC[NH3+])n2)c1 ZINC000071695623 191008765 /nfs/dbraw/zinc/00/87/65/191008765.db2.gz YOYTYMFIVHZIMB-UHFFFAOYSA-N 1 0 318.446 2.282 10 0 DEAERO C[C@@H](c1cccnc1)N1CCN(C(=O)c2ccccc2C[NH3+])CC1 ZINC000071700473 191009274 /nfs/dbraw/zinc/00/92/74/191009274.db2.gz GSZPFCFMEDKIRN-HNNXBMFYSA-N 1 0 324.428 2.059 10 0 DEAERO [NH3+]C[C@H](c1ccc(Cl)s1)N1CCCC2(C1)OCCO2 ZINC000133660758 186004115 /nfs/dbraw/zinc/00/41/15/186004115.db2.gz XHIQUZNNGCGJIC-SNVBAGLBSA-N 1 0 302.827 2.240 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1sccc1C)N1CCC(NC(C)=O)CC1 ZINC000133698483 186008236 /nfs/dbraw/zinc/00/82/36/186008236.db2.gz ODPBNGRACSQRIF-CABCVRRESA-N 1 0 309.479 2.435 10 0 DEAERO NC(=O)c1c(Cl)cccc1N1CCC([NH2+]CC2CC2)CC1 ZINC000133705179 186008712 /nfs/dbraw/zinc/00/87/12/186008712.db2.gz UOUUGNPZYDUKMU-UHFFFAOYSA-N 1 0 307.825 2.407 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N(C)[C@H](C)CC)c1 ZINC000138458424 186017041 /nfs/dbraw/zinc/01/70/41/186017041.db2.gz OMEIDTRSWXYJIU-SNVBAGLBSA-N 1 0 320.405 2.493 10 0 DEAERO CC[C@H](C)N(C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138457583 186017212 /nfs/dbraw/zinc/01/72/12/186017212.db2.gz NPPFSHGPCIDVBN-VIFPVBQESA-N 1 0 306.378 2.103 10 0 DEAERO Brc1ccc(-c2noc(C[C@@H]3CCC[NH2+]C3)n2)nc1 ZINC000139829820 186024718 /nfs/dbraw/zinc/02/47/18/186024718.db2.gz XUARDBRXMINFOQ-VIFPVBQESA-N 1 0 323.194 2.436 10 0 DEAERO CC(C)[C@@H]1N[C@@H](c2cccs2)N(C[C@@H]2CC[N@H+](C)C2)C1=O ZINC000142172289 186032157 /nfs/dbraw/zinc/03/21/57/186032157.db2.gz SBEJSNHXTIWLKV-VHDGCEQUSA-N 1 0 307.463 2.155 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2c(C)n[nH]c2C)[C@H](C)C1 ZINC000248432745 539773672 /nfs/dbraw/zinc/77/36/72/539773672.db2.gz CJUUGARSZDVORF-JMSVASOKSA-N 1 0 306.454 2.319 10 0 DEAERO CCCCN(CC)[C@@]1(C[NH3+])CCS(=O)(=O)c2ccccc21 ZINC000147637479 186040948 /nfs/dbraw/zinc/04/09/48/186040948.db2.gz SEJCMAOWSAYNKL-MRXNPFEDSA-N 1 0 310.463 2.140 10 0 DEAERO CCN(CC(C)(C)C[NH3+])[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000147734978 186041322 /nfs/dbraw/zinc/04/13/22/186041322.db2.gz YBNOFVFRILBCRH-AWEZNQCLSA-N 1 0 310.463 2.212 10 0 DEAERO Cc1cc(C[NH2+]C(C)C)cc(S(=O)(=O)NCC(F)F)c1C ZINC000148174834 186043389 /nfs/dbraw/zinc/04/33/89/186043389.db2.gz HNCAILXFFINNMF-UHFFFAOYSA-N 1 0 320.405 2.345 10 0 DEAERO CCC[NH2+]Cc1cc(F)c(C)c(S(=O)(=O)NCC(F)F)c1 ZINC000148181011 186044071 /nfs/dbraw/zinc/04/40/71/186044071.db2.gz HNWJCGPGVMYBIV-UHFFFAOYSA-N 1 0 324.368 2.177 10 0 DEAERO CC[NH2+]Cc1nnnn1-c1ccc(Br)cc1CC ZINC000148466788 186044224 /nfs/dbraw/zinc/04/42/24/186044224.db2.gz FIEHIQXRQSYNAR-UHFFFAOYSA-N 1 0 310.199 2.097 10 0 DEAERO CC[C@H]1N[C@@H](c2cccs2)N(CC[NH+]2CCCCC2)C1=O ZINC000144061155 186034848 /nfs/dbraw/zinc/03/48/48/186034848.db2.gz OGCCOTZBVCQHBH-UKRRQHHQSA-N 1 0 307.463 2.443 10 0 DEAERO C[C@@H](O)C(C)(C)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000145022624 186036520 /nfs/dbraw/zinc/03/65/20/186036520.db2.gz SWZCBBYTDHMBHO-SECBINFHSA-N 1 0 315.211 2.137 10 0 DEAERO CC(C)CCC[C@H](C)NC(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000145761287 186037930 /nfs/dbraw/zinc/03/79/30/186037930.db2.gz BVJGMJWPBPZMOC-INIZCTEOSA-N 1 0 309.498 2.488 10 0 DEAERO CC(C)[NH2+]Cc1nnnn1Cc1sccc1Br ZINC000148888873 186046516 /nfs/dbraw/zinc/04/65/16/186046516.db2.gz DJMMQEUIULDEFL-UHFFFAOYSA-N 1 0 316.228 2.043 10 0 DEAERO C[C@@H](CS(=O)(=O)NC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000149263109 186048558 /nfs/dbraw/zinc/04/85/58/186048558.db2.gz VBKUFOSWHVUGDB-AWEZNQCLSA-N 1 0 310.463 2.371 10 0 DEAERO CCCN([C@](C)(CC)C[NH3+])S(=O)(=O)CCc1ccccc1 ZINC000149276914 186049000 /nfs/dbraw/zinc/04/90/00/186049000.db2.gz CIMSRZHYZUDJBY-MRXNPFEDSA-N 1 0 312.479 2.398 10 0 DEAERO C[C@@H](CS(=O)(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000149375456 186049704 /nfs/dbraw/zinc/04/97/04/186049704.db2.gz XYEFFGVKVIKVTP-LSDHHAIUSA-N 1 0 310.463 2.099 10 0 DEAERO C[NH2+]C1CCC(NS(=O)(=O)C[C@H](C)c2ccccc2)CC1 ZINC000149366308 186049725 /nfs/dbraw/zinc/04/97/25/186049725.db2.gz WQXDNQXKYXPYTK-JEYLPNPQSA-N 1 0 310.463 2.240 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000149569544 186050932 /nfs/dbraw/zinc/05/09/32/186050932.db2.gz ONNQMJOOJTZOFS-SECBINFHSA-N 1 0 305.300 2.336 10 0 DEAERO CCc1nn(CC)c(C[NH2+][C@H]2CCO[C@H]2C)c1Br ZINC000149660358 186051863 /nfs/dbraw/zinc/05/18/63/186051863.db2.gz ASSIPMXSJXJEEO-ONGXEEELSA-N 1 0 316.243 2.495 10 0 DEAERO CC1(C)CCC[C@H]([NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000149908495 186053439 /nfs/dbraw/zinc/05/34/39/186053439.db2.gz CMQSKLCABNSJRQ-KGLIPLIRSA-N 1 0 302.484 2.216 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC(Cc2cccnc2)CC1 ZINC000333840228 282979638 /nfs/dbraw/zinc/97/96/38/282979638.db2.gz ODDZDEPNZWKNHM-QGZVFWFLSA-N 1 0 316.449 2.188 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Br)cn1 ZINC000171184641 197894310 /nfs/dbraw/zinc/89/43/10/197894310.db2.gz UMCQZQROEAJUIJ-SNVBAGLBSA-N 1 0 314.227 2.304 10 0 DEAERO COc1ccc(CCC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1F ZINC000155780882 186112236 /nfs/dbraw/zinc/11/22/36/186112236.db2.gz TXDFBDUOPVJFKZ-BETUJISGSA-N 1 0 308.397 2.318 10 0 DEAERO CCN(CCC[NH2+][C@H]1CSc2ccccc21)S(C)(=O)=O ZINC000155832007 186116376 /nfs/dbraw/zinc/11/63/76/186116376.db2.gz IWQPJYUPSAFJOB-ZDUSSCGKSA-N 1 0 314.476 2.095 10 0 DEAERO Fc1ccc(Br)cc1COC[C@H]1C[NH2+]CCO1 ZINC000163992364 186145704 /nfs/dbraw/zinc/14/57/04/186145704.db2.gz SCZVLCKDWSQTPU-LLVKDONJSA-N 1 0 304.159 2.093 10 0 DEAERO C[NH2+]Cc1cn(CCN2CCOCC2)c2cc(Cl)ccc12 ZINC000164012531 186145878 /nfs/dbraw/zinc/14/58/78/186145878.db2.gz LOJBTIVFKHXSHI-UHFFFAOYSA-N 1 0 307.825 2.346 10 0 DEAERO CCN(CC[NH3+])c1ncc(Br)cc1Br ZINC000164078949 186148437 /nfs/dbraw/zinc/14/84/37/186148437.db2.gz NVDVQUVAEFXNGU-UHFFFAOYSA-N 1 0 323.032 2.392 10 0 DEAERO Cc1cc(C)c(NC(=O)[C@]2([NH3+])CCOC2)c(Br)c1 ZINC000159689455 186135662 /nfs/dbraw/zinc/13/56/62/186135662.db2.gz SSZXEJSPISHSAP-ZDUSSCGKSA-N 1 0 313.195 2.122 10 0 DEAERO COC(=O)C1(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CCC(C)CC1 ZINC000262648797 290901314 /nfs/dbraw/zinc/90/13/14/290901314.db2.gz ULPDNAIYACOUOS-QRHJNKNDSA-N 1 0 324.465 2.250 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccco2)cc1OC ZINC000173309418 186175092 /nfs/dbraw/zinc/17/50/92/186175092.db2.gz IWMYISOBYCOWLJ-GFCCVEGCSA-N 1 0 318.373 2.264 10 0 DEAERO Cn1ncc(Br)c1C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000164199748 186151735 /nfs/dbraw/zinc/15/17/35/186151735.db2.gz AUJCURIGSMGGTF-VIFPVBQESA-N 1 0 300.200 2.288 10 0 DEAERO CC(C)C[NH2+]Cc1ccc(-n2ccc(C(N)=O)n2)c(Cl)c1 ZINC000164211914 186151906 /nfs/dbraw/zinc/15/19/06/186151906.db2.gz BQAUGCHPNWHLAB-UHFFFAOYSA-N 1 0 306.797 2.370 10 0 DEAERO COC[C@@H]1CCN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)C1 ZINC000164309856 186155651 /nfs/dbraw/zinc/15/56/51/186155651.db2.gz TYNRYLKMGXONTG-SECBINFHSA-N 1 0 301.312 2.462 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000164396580 186158714 /nfs/dbraw/zinc/15/87/14/186158714.db2.gz HFPOBXXZKQAHLG-SNVBAGLBSA-N 1 0 300.200 2.380 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OC)cc1 ZINC000173333515 186177881 /nfs/dbraw/zinc/17/78/81/186177881.db2.gz LUJYQDWTLWJVAS-HZPDHXFCSA-N 1 0 317.433 2.463 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OC ZINC000173332720 186177915 /nfs/dbraw/zinc/17/79/15/186177915.db2.gz NNJHQUDMIIETOH-HZPDHXFCSA-N 1 0 317.433 2.463 10 0 DEAERO CCC[C@H](C(=O)NCc1ccccc1-n1cccn1)[NH+](C)C ZINC000179686247 186205387 /nfs/dbraw/zinc/20/53/87/186205387.db2.gz MUEHKQHVPORDMB-MRXNPFEDSA-N 1 0 300.406 2.219 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000183845809 186224265 /nfs/dbraw/zinc/22/42/65/186224265.db2.gz YHNYFKIUSHEJDX-WBVHZDCISA-N 1 0 311.385 2.408 10 0 DEAERO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ncnn2CC(F)F)C1 ZINC000225615194 186283859 /nfs/dbraw/zinc/28/38/59/186283859.db2.gz LSORRSHSCUUZFC-ABAIWWIYSA-N 1 0 316.396 2.210 10 0 DEAERO CC(=O)c1cccc(OCC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000617021382 363002856 /nfs/dbraw/zinc/00/28/56/363002856.db2.gz WRJHRCLIZBLKCE-OAHLLOKOSA-N 1 0 318.417 2.257 10 0 DEAERO O=C(Nc1ccc(-n2cccn2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171888177 198002116 /nfs/dbraw/zinc/00/21/16/198002116.db2.gz PKSKGRLVYUBQKF-INIZCTEOSA-N 1 0 311.389 2.184 10 0 DEAERO C[NH+]1CCC(NC(=O)N2CCC(Cc3ccccn3)CC2)CC1 ZINC000171897800 198004391 /nfs/dbraw/zinc/00/43/91/198004391.db2.gz OZENSAKJJJEEJL-UHFFFAOYSA-N 1 0 316.449 2.140 10 0 DEAERO C[C@H](Cc1ccccc1F)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903847 198004692 /nfs/dbraw/zinc/00/46/92/198004692.db2.gz HPYKJBXDKFBRCC-UKRRQHHQSA-N 1 0 305.397 2.246 10 0 DEAERO CCc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc(-c2ccncc2)n1 ZINC000171944770 198012362 /nfs/dbraw/zinc/01/23/62/198012362.db2.gz KJRMECLYJJMKNE-MRXNPFEDSA-N 1 0 309.417 2.385 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000333874056 282983367 /nfs/dbraw/zinc/98/33/67/282983367.db2.gz VBGSOEIASJJTNF-CWRNSKLLSA-N 1 0 309.454 2.118 10 0 DEAERO CCC[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000172116218 198041553 /nfs/dbraw/zinc/04/15/53/198041553.db2.gz HGKYBWDBUOKYQE-SJORKVTESA-N 1 0 319.449 2.500 10 0 DEAERO O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172290128 198071938 /nfs/dbraw/zinc/07/19/38/198071938.db2.gz QASYMQWHGBQXQM-JHJVBQTASA-N 1 0 306.356 2.375 10 0 DEAERO Cc1nc(C)c(Br)c(N2C[C@@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000322942534 539903712 /nfs/dbraw/zinc/90/37/12/539903712.db2.gz IEJYATQBRWEXOT-LDYMZIIASA-N 1 0 313.243 2.242 10 0 DEAERO Cc1nnc([C@H](C)N2CC[C@H](Oc3cccnc3N(C)C)C2)o1 ZINC000329653753 539926596 /nfs/dbraw/zinc/92/65/96/539926596.db2.gz DZBAQUWVCPGZOF-AAEUAGOBSA-N 1 0 317.393 2.053 10 0 DEAERO C[C@@H](c1nc([C@H]2CN3CCC[C@@H]3CO2)no1)c1cccnc1 ZINC000329739983 539929007 /nfs/dbraw/zinc/92/90/07/539929007.db2.gz VEILKWUXDFZUCI-MRVWCRGKSA-N 1 0 300.362 2.152 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000173276579 198206019 /nfs/dbraw/zinc/20/60/19/198206019.db2.gz PCQMVHJBIMTYPX-XJKSGUPXSA-N 1 0 322.474 2.279 10 0 DEAERO O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1CCC[NH2+]C1 ZINC000333424657 539959113 /nfs/dbraw/zinc/95/91/13/539959113.db2.gz TTZKWIOVWDEDER-UTUOFQBUSA-N 1 0 307.360 2.406 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)c1cccnc1 ZINC000173479582 198219170 /nfs/dbraw/zinc/21/91/70/198219170.db2.gz QIMIMJMRDCFTRS-NUEKZKHPSA-N 1 0 302.422 2.411 10 0 DEAERO Cn1cc(C[N@@H+]2CCCN(Cc3cccc(Cl)n3)CC2)cn1 ZINC000173691210 198241252 /nfs/dbraw/zinc/24/12/52/198241252.db2.gz MZJTXSFUZBHLRF-UHFFFAOYSA-N 1 0 319.840 2.176 10 0 DEAERO c1c[nH]c([C@@H]([NH2+][C@H]2CCc3nnnn3CC2)C2CCCCC2)n1 ZINC000333707450 539969702 /nfs/dbraw/zinc/96/97/02/539969702.db2.gz HXNROJMACJLFRH-ZFWWWQNUSA-N 1 0 315.425 2.012 10 0 DEAERO CN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)C1CCC1 ZINC000173753744 198248127 /nfs/dbraw/zinc/24/81/27/198248127.db2.gz PTYUTAIWDFBUBM-UHFFFAOYSA-N 1 0 305.422 2.321 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000173891972 198264725 /nfs/dbraw/zinc/26/47/25/198264725.db2.gz WQXTWUVMHUCORK-TZMCWYRMSA-N 1 0 319.405 2.039 10 0 DEAERO CC(C)CCOC1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333862306 539974064 /nfs/dbraw/zinc/97/40/64/539974064.db2.gz SJEMBXGZYAEXBJ-HNNXBMFYSA-N 1 0 311.470 2.365 10 0 DEAERO COc1ccc(Cl)cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333935525 539975290 /nfs/dbraw/zinc/97/52/90/539975290.db2.gz JNSAUWJWDFTOEG-MNOVXSKESA-N 1 0 309.797 2.422 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)[C@@H](C)[C@@H]1OC ZINC000333830242 539973189 /nfs/dbraw/zinc/97/31/89/539973189.db2.gz MKKTVAITEZMIAM-KFWWJZLASA-N 1 0 323.481 2.364 10 0 DEAERO COCc1nc2n(n1)C[C@@H]([NH2+]C[C@H](C)Cc1ccccc1)CC2 ZINC000182069436 199382308 /nfs/dbraw/zinc/38/23/08/199382308.db2.gz VDGRMQNSYVUSCO-ZBFHGGJFSA-N 1 0 314.433 2.208 10 0 DEAERO O=C(N[C@@H]1COc2ccccc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174215682 198307378 /nfs/dbraw/zinc/30/73/78/198307378.db2.gz PKZAWOGGXPFMFF-GOEBONIOSA-N 1 0 315.417 2.247 10 0 DEAERO COCc1cccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000174361189 198324771 /nfs/dbraw/zinc/32/47/71/198324771.db2.gz VBVBUSHJAXWFCY-KRWDZBQOSA-N 1 0 312.417 2.382 10 0 DEAERO CC[C@@H]1CN(C(=O)c2ccc(C)c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174611797 198358374 /nfs/dbraw/zinc/35/83/74/198358374.db2.gz AAJWZKAMLKSOOK-NVXWUHKLSA-N 1 0 304.434 2.221 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000174735002 198377216 /nfs/dbraw/zinc/37/72/16/198377216.db2.gz NGHBGUYDQNQJMI-HUUCEWRRSA-N 1 0 319.449 2.374 10 0 DEAERO Cc1cc2c(cc1NC(=O)N(C)[C@@H]1CCC[NH2+]CC1)OCO2 ZINC000333103128 282916841 /nfs/dbraw/zinc/91/68/41/282916841.db2.gz FCYFTISVAGXHAK-GFCCVEGCSA-N 1 0 305.378 2.330 10 0 DEAERO CCCC[N@H+](C)C[C@H](C)NC(=O)NCCc1cccc(OC)n1 ZINC000358892861 535242128 /nfs/dbraw/zinc/24/21/28/535242128.db2.gz SKXHVDSXAGMWHJ-AWEZNQCLSA-N 1 0 322.453 2.052 10 0 DEAERO O=C(NC[C@H]1CCC2(CCCCC2)O1)N[C@H]1CCCC[NH2+]C1 ZINC000333506135 282932036 /nfs/dbraw/zinc/93/20/36/282932036.db2.gz DWEAJWSXPOOTGR-LSDHHAIUSA-N 1 0 309.454 2.310 10 0 DEAERO COc1ccc(CNC(=O)c2c[nH+]ccc2N(C)C)cc1F ZINC000183504427 199604971 /nfs/dbraw/zinc/60/49/71/199604971.db2.gz UIHJEOGXGIOOPD-UHFFFAOYSA-N 1 0 303.337 2.225 10 0 DEAERO CNc1cc(OC)c(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1Cl ZINC000003781049 181045373 /nfs/dbraw/zinc/04/53/73/181045373.db2.gz DYMNHNMNXIHEHH-CQSZACIVSA-N 1 0 323.824 2.214 10 0 in-man DEAERO COc1ccccc1CCC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000182373891 199427871 /nfs/dbraw/zinc/42/78/71/199427871.db2.gz NMHRNTQFGDDVLB-UHFFFAOYSA-N 1 0 304.434 2.428 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000262378610 291034893 /nfs/dbraw/zinc/03/48/93/291034893.db2.gz NKHARUWGNNPQJR-DZKIICNBSA-N 1 0 306.406 2.175 10 0 DEAERO CCC(C)(C)NC(=O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000067127259 354748678 /nfs/dbraw/zinc/74/86/78/354748678.db2.gz SFCHVPDLQQFTSR-UHFFFAOYSA-N 1 0 323.481 2.016 10 0 DEAERO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC(=O)NC2CC2)cc1C ZINC000067984768 354788681 /nfs/dbraw/zinc/78/86/81/354788681.db2.gz MQIIIZHXFAYPRK-MRXNPFEDSA-N 1 0 315.417 2.429 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(O)cc2)[C@H]1c1ccccc1 ZINC000247988566 283047994 /nfs/dbraw/zinc/04/79/94/283047994.db2.gz ITGDFWKFMWBRHZ-IEBWSBKVSA-N 1 0 310.397 2.496 10 0 DEAERO CC(C)[N@@H+]1CC[C@H](Nc2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000069000715 354843651 /nfs/dbraw/zinc/84/36/51/354843651.db2.gz MBQKASZQRFJULX-VIFPVBQESA-N 1 0 314.315 2.038 10 0 DEAERO O=C(NCCCc1cccc(F)c1)N1CC[NH+](CC2CC2)CC1 ZINC000069475257 354866186 /nfs/dbraw/zinc/86/61/86/354866186.db2.gz AIKIPAYJQQIPFR-UHFFFAOYSA-N 1 0 319.424 2.496 10 0 DEAERO C[C@@H](O)CC(C)(C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075314403 355080119 /nfs/dbraw/zinc/08/01/19/355080119.db2.gz PFQFHUJITPRCLO-FFHGMXDLSA-N 1 0 311.470 2.098 10 0 DEAERO O[C@@H](C[NH+]1CCC2(CC1)OCCO2)c1ccc2cc[nH]c2c1 ZINC000004959191 181179625 /nfs/dbraw/zinc/17/96/25/181179625.db2.gz CTXJSJUNCBVUFF-INIZCTEOSA-N 1 0 302.374 2.040 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)[C@@H](O)c2ccccc2)ccc1F ZINC000073728331 191347689 /nfs/dbraw/zinc/34/76/89/191347689.db2.gz ZOKPUQHAIGFIGE-KRWDZBQOSA-N 1 0 316.376 2.237 10 0 DEAERO CCCCc1noc([C@H](C)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000363387593 283092747 /nfs/dbraw/zinc/09/27/47/283092747.db2.gz HOZIYGBZBWHTQB-ZNMIVQPWSA-N 1 0 322.453 2.004 10 0 DEAERO Cc1nc2cc(S(=O)(=O)Nc3cc[nH+]c(C)c3)ccc2n1C ZINC000074945413 191393471 /nfs/dbraw/zinc/39/34/71/191393471.db2.gz NDXZEXRWTPCZLV-UHFFFAOYSA-N 1 0 316.386 2.386 10 0 DEAERO Cn1c2ccc(C(=O)NCCC[NH+](C)C)cc2nc1C1CC1 ZINC000074957854 191395331 /nfs/dbraw/zinc/39/53/31/191395331.db2.gz MUAYNILUUVWAQY-UHFFFAOYSA-N 1 0 300.406 2.132 10 0 DEAERO Cc1c([C@@H](C)NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cnn1C ZINC000079505313 355313435 /nfs/dbraw/zinc/31/34/35/355313435.db2.gz MCOSSFXTUHNZTG-HIFRSBDPSA-N 1 0 319.453 2.059 10 0 DEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390871149 540135470 /nfs/dbraw/zinc/13/54/70/540135470.db2.gz GEJOIMPWFBOQNJ-MSOLQXFVSA-N 1 0 320.477 2.274 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000401722272 540142582 /nfs/dbraw/zinc/14/25/82/540142582.db2.gz OEWQBLUROHAHHV-MRVPVSSYSA-N 1 0 300.202 2.325 10 0 DEAERO C(O[C@@H]1CCC[N@@H+](C2CCOCC2)C1)c1nc(C2CC2)no1 ZINC000097942599 355706624 /nfs/dbraw/zinc/70/66/24/355706624.db2.gz BYVBRCIFIBGJAN-CQSZACIVSA-N 1 0 307.394 2.107 10 0 DEAERO C[C@@H](C[NH3+])[C@H](O)c1ncc(Br)cc1Br ZINC000130186467 355840138 /nfs/dbraw/zinc/84/01/38/355840138.db2.gz APJQHZAQOZQHIR-CDUCUWFYSA-N 1 0 324.016 2.235 10 0 DEAERO CC(C)CCN1CC[C@@H](N2CC[NH+](CCC(C)C)CC2)C1=O ZINC000169793235 355984561 /nfs/dbraw/zinc/98/45/61/355984561.db2.gz MAPDUFSQCAECNA-QGZVFWFLSA-N 1 0 309.498 2.297 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ncccc2OC(C)C)C1 ZINC000079546797 191949115 /nfs/dbraw/zinc/94/91/15/191949115.db2.gz QWRBPVRLXQYYFW-CQSZACIVSA-N 1 0 305.422 2.425 10 0 DEAERO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000172264393 356004362 /nfs/dbraw/zinc/00/43/62/356004362.db2.gz MGDIXMPZQKZNIF-TZMCWYRMSA-N 1 0 309.406 2.237 10 0 DEAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccoc2)ncn1 ZINC000180572802 356053106 /nfs/dbraw/zinc/05/31/06/356053106.db2.gz OUEDEORRBBDWRD-OCCSQVGLSA-N 1 0 301.394 2.431 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)cc1F ZINC000182021117 356104567 /nfs/dbraw/zinc/10/45/67/356104567.db2.gz NDUWKMRCGVBGIP-MNOVXSKESA-N 1 0 303.399 2.166 10 0 DEAERO CCOC(=O)CCC[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182028472 356105394 /nfs/dbraw/zinc/10/53/94/356105394.db2.gz ONWIVEGHIUYFNU-ZDUSSCGKSA-N 1 0 302.378 2.261 10 0 DEAERO C[C@@H](Cc1ccccc1)C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000182027787 356105936 /nfs/dbraw/zinc/10/59/36/356105936.db2.gz SAKZYEDUQGIKJD-FUHWJXTLSA-N 1 0 316.445 2.188 10 0 DEAERO [NH3+]C[C@H](c1ccccc1)n1cc(I)cn1 ZINC000079903084 191983549 /nfs/dbraw/zinc/98/35/49/191983549.db2.gz AFVGCXOHRQVINH-LLVKDONJSA-N 1 0 313.142 2.036 10 0 DEAERO CC[C@@H](COC)[NH2+]C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000079743180 191967622 /nfs/dbraw/zinc/96/76/22/191967622.db2.gz RUIWIVCPYOQIHD-STQMWFEESA-N 1 0 301.814 2.403 10 0 DEAERO CCC[C@@H](COC)[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000079743927 191968471 /nfs/dbraw/zinc/96/84/71/191968471.db2.gz FMOFJYVRTXHYJB-KBPBESRZSA-N 1 0 301.814 2.484 10 0 DEAERO CC[C@@H]1CN(C(=O)NCC2(C)CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000181734318 356092967 /nfs/dbraw/zinc/09/29/67/356092967.db2.gz SRZMJBAFBMPTNE-HUUCEWRRSA-N 1 0 311.470 2.053 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@]2(CCO)CCOC2)C12CCCCC2 ZINC000181904964 356099079 /nfs/dbraw/zinc/09/90/79/356099079.db2.gz WTFWZMQGEVRZDL-BBWFWOEESA-N 1 0 311.466 2.493 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N(C)CCC[NH+](C)C)c1 ZINC000181938362 356101824 /nfs/dbraw/zinc/10/18/24/356101824.db2.gz FAFQRXLBAFUPLD-CZUORRHYSA-N 1 0 317.433 2.305 10 0 DEAERO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000080156910 192007044 /nfs/dbraw/zinc/00/70/44/192007044.db2.gz LJEUSXNUKYBVQY-SQWLQELKSA-N 1 0 314.495 2.120 10 0 DEAERO CCS(=O)(=O)NCC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000183131224 356161459 /nfs/dbraw/zinc/16/14/59/356161459.db2.gz COZQUQLEHXEDLU-OAHLLOKOSA-N 1 0 310.463 2.229 10 0 DEAERO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccnn1C ZINC000192757155 356221744 /nfs/dbraw/zinc/22/17/44/356221744.db2.gz PEISWKNFDFYUSA-HNNXBMFYSA-N 1 0 322.412 2.481 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ncn(C3CCCCC3)n2)C1 ZINC000184514536 356192635 /nfs/dbraw/zinc/19/26/35/356192635.db2.gz YXVWEZXCBKBPKK-ZDUSSCGKSA-N 1 0 320.441 2.389 10 0 DEAERO Cc1ccc(C[C@H](C)NS(=O)(=O)C[C@H]2CCCC[NH2+]2)s1 ZINC000080248278 192016590 /nfs/dbraw/zinc/01/65/90/192016590.db2.gz UUWGSQBRAWVHEO-WCQYABFASA-N 1 0 316.492 2.049 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H]2CC=CCC2)CC1 ZINC000184967234 356200489 /nfs/dbraw/zinc/20/04/89/356200489.db2.gz ZPMPYEYGQAOMOJ-CVEARBPZSA-N 1 0 323.481 2.077 10 0 DEAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1cccc(Cl)c1F ZINC000226463676 356278810 /nfs/dbraw/zinc/27/88/10/356278810.db2.gz KARLBVGWIYAXEW-JTQLQIEISA-N 1 0 320.817 2.242 10 0 DEAERO C[C@H]([NH2+]CCn1cccn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400745267 283158423 /nfs/dbraw/zinc/15/84/23/283158423.db2.gz LTDPQSMBNXEOPG-KBPBESRZSA-N 1 0 308.426 2.118 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400781640 283158552 /nfs/dbraw/zinc/15/85/52/283158552.db2.gz PQXLIJPUPSZIMS-IOASZLSFSA-N 1 0 300.443 2.383 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000400392790 283156748 /nfs/dbraw/zinc/15/67/48/283156748.db2.gz ISWDPOOZBQCTNN-GJZGRUSLSA-N 1 0 322.453 2.427 10 0 DEAERO COC[C@@H]1CCN(c2ccc(C(N)=[NH2+])c(C(F)(F)F)c2)C1 ZINC000081066674 192222618 /nfs/dbraw/zinc/22/26/18/192222618.db2.gz NJMOUJGHIXKFLV-SECBINFHSA-N 1 0 301.312 2.462 10 0 DEAERO [NH3+]Cc1nc(C(F)(F)F)ccc1I ZINC000307183518 356407889 /nfs/dbraw/zinc/40/78/89/356407889.db2.gz YFTFFJXBUCVKBG-UHFFFAOYSA-N 1 0 302.037 2.164 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1c1ncc(I)s1 ZINC000307703824 356409548 /nfs/dbraw/zinc/40/95/48/356409548.db2.gz WEZCJCVMTYNEHH-BQBZGAKWSA-N 1 0 308.188 2.461 10 0 DEAERO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000081338353 192253034 /nfs/dbraw/zinc/25/30/34/192253034.db2.gz PPEBFCUEBYLIOH-LSDHHAIUSA-N 1 0 322.449 2.053 10 0 DEAERO O=C(Nc1ccc2ccccc2c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177694222 198763002 /nfs/dbraw/zinc/76/30/02/198763002.db2.gz JZZGZQGHWZKNLO-KRWDZBQOSA-N 1 0 323.396 2.085 10 0 DEAERO CCOC[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000081499994 192274909 /nfs/dbraw/zinc/27/49/09/192274909.db2.gz IZQJVULRIMPVFB-WZYMTQMTSA-N 1 0 309.454 2.070 10 0 DEAERO CCCCN(c1ccccc1)[C@@]1(C[NH3+])CCCS(=O)(=O)C1 ZINC000081580810 192295730 /nfs/dbraw/zinc/29/57/30/192295730.db2.gz RVMBKKAKLKEERY-MRXNPFEDSA-N 1 0 310.463 2.199 10 0 DEAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000184670319 199749082 /nfs/dbraw/zinc/74/90/82/199749082.db2.gz RLWYZDHVMQJUIG-GHMZBOCLSA-N 1 0 316.405 2.352 10 0 DEAERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)N[C@@H](C)CCOC)c1 ZINC000081717817 192316571 /nfs/dbraw/zinc/31/65/71/192316571.db2.gz MGDGRKFUKGABNJ-WFASDCNBSA-N 1 0 314.451 2.060 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@@H](C)CCOC)cc1 ZINC000081717761 192316985 /nfs/dbraw/zinc/31/69/85/192316985.db2.gz UQDNUUIPJRGTHA-STQMWFEESA-N 1 0 314.451 2.060 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000236938856 202082884 /nfs/dbraw/zinc/08/28/84/202082884.db2.gz UTKJVBGQTNGOJC-SDBXPKJASA-N 1 0 321.402 2.379 10 0 DEAERO c1[nH+]cn2ccc(-c3noc(-c4cn(CC5CC5)nn4)n3)cc12 ZINC000351107184 356615597 /nfs/dbraw/zinc/61/55/97/356615597.db2.gz CRBHVLYQFCYXIY-UHFFFAOYSA-N 1 0 307.317 2.053 10 0 DEAERO CCN(Cc1ccccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)=O ZINC000236982153 202105951 /nfs/dbraw/zinc/10/59/51/202105951.db2.gz XRNVMSHOMWQNKE-HIFRSBDPSA-N 1 0 303.406 2.121 10 0 DEAERO Brc1cnc2c(c1)nccc2N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385386864 356688061 /nfs/dbraw/zinc/68/80/61/356688061.db2.gz QWQCYYCCPNVNLP-RNCFNFMXSA-N 1 0 319.206 2.190 10 0 DEAERO CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)O ZINC000386743941 356698092 /nfs/dbraw/zinc/69/80/92/356698092.db2.gz DZMVJUHMYYTVHF-MCIONIFRSA-N 1 0 300.443 2.383 10 0 DEAERO O[C@@H](C[NH2+]C[C@H]1CCCN1Cc1ccccc1)C(F)(F)F ZINC000390698252 356709914 /nfs/dbraw/zinc/70/99/14/356709914.db2.gz IPYVMSVJLYWEAK-KGLIPLIRSA-N 1 0 302.340 2.164 10 0 DEAERO FCCC[NH+]1CCN(Cc2cncc(Br)c2)CC1 ZINC000402701312 356729263 /nfs/dbraw/zinc/72/92/63/356729263.db2.gz GJPZYRKZFNJDJK-UHFFFAOYSA-N 1 0 316.218 2.321 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@H]1c1ccc2c(c1)CCO2 ZINC000409423299 356736525 /nfs/dbraw/zinc/73/65/25/356736525.db2.gz PRJMJZQWEHGUER-KBPBESRZSA-N 1 0 304.390 2.202 10 0 DEAERO CC[NH2+]Cc1ccc(OCCCS(=O)(=O)CC)c(OC)c1 ZINC000086972770 192603958 /nfs/dbraw/zinc/60/39/58/192603958.db2.gz BKMLCQAHLMPQIE-UHFFFAOYSA-N 1 0 315.435 2.008 10 0 DEAERO CCS(=O)(=O)CCCOc1ccc(Cl)cc1C[C@@H](C)[NH3+] ZINC000086980026 192605821 /nfs/dbraw/zinc/60/58/21/192605821.db2.gz MBMJVPWIDAVKBE-LLVKDONJSA-N 1 0 319.854 2.433 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000088916610 192655911 /nfs/dbraw/zinc/65/59/11/192655911.db2.gz GYYUZOYKYIPXOB-UHFFFAOYSA-N 1 0 310.463 2.402 10 0 DEAERO CCc1ccc(C[NH3+])cc1S(=O)(=O)NC(C1CC1)C1CC1 ZINC000088999197 192690366 /nfs/dbraw/zinc/69/03/66/192690366.db2.gz DUQGWZDYNBVXQH-UHFFFAOYSA-N 1 0 308.447 2.175 10 0 DEAERO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000590811846 357617870 /nfs/dbraw/zinc/61/78/70/357617870.db2.gz MUHFEGWABBMLLP-KRWDZBQOSA-N 1 0 314.429 2.347 10 0 DEAERO C[C@H]([NH3+])C1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000178822007 198936641 /nfs/dbraw/zinc/93/66/41/198936641.db2.gz YZJZPURQGRMXCZ-QMMMGPOBSA-N 1 0 301.184 2.242 10 0 DEAERO C[N@@H+]1CC[C@H](C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC000591439461 357722639 /nfs/dbraw/zinc/72/26/39/357722639.db2.gz NZHKXZSPUFOWGC-LBPRGKRZSA-N 1 0 324.371 2.286 10 0 DEAERO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000263536582 304066415 /nfs/dbraw/zinc/06/64/15/304066415.db2.gz ZOCKFHSIGJBNNB-BACDZXNISA-N 1 0 306.450 2.482 10 0 DEAERO C[N@H+](C[C@@H](O)COCc1ccccc1)C1CCC(CO)CC1 ZINC000179283916 199009676 /nfs/dbraw/zinc/00/96/76/199009676.db2.gz SKOBIUIIRAKKOY-VMWRSERWSA-N 1 0 307.434 2.047 10 0 DEAERO CNC(=O)CC[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000179413423 199030798 /nfs/dbraw/zinc/03/07/98/199030798.db2.gz XBFFJFGCTKRLMN-UHFFFAOYSA-N 1 0 313.401 2.229 10 0 DEAERO CC(C)C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179464012 199039762 /nfs/dbraw/zinc/03/97/62/199039762.db2.gz WJNBCAVPDYVXES-BRWVUGGUSA-N 1 0 319.449 2.138 10 0 DEAERO Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000179650408 199070392 /nfs/dbraw/zinc/07/03/92/199070392.db2.gz ZUONIIYNMWZDBL-GFCCVEGCSA-N 1 0 314.838 2.117 10 0 DEAERO C[N@H+](Cc1cccc2nccn21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000180078903 199114789 /nfs/dbraw/zinc/11/47/89/199114789.db2.gz FDPKSFGLKKWYGN-OAHLLOKOSA-N 1 0 322.416 2.225 10 0 DEAERO CC[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC)cc1 ZINC000180472238 199163376 /nfs/dbraw/zinc/16/33/76/199163376.db2.gz QHOZPBPYUZAWDZ-NVXWUHKLSA-N 1 0 302.418 2.495 10 0 DEAERO Cc1cccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1F ZINC000180471879 199163523 /nfs/dbraw/zinc/16/35/23/199163523.db2.gz SNVURODVSJVNML-CYBMUJFWSA-N 1 0 323.412 2.165 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C)on2)cc1OC ZINC000180851838 199218326 /nfs/dbraw/zinc/21/83/26/199218326.db2.gz XPWDTAHBLOQWAW-LLVKDONJSA-N 1 0 319.361 2.290 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)CSCCF)[C@H]2C1 ZINC000595050644 358383817 /nfs/dbraw/zinc/38/38/17/358383817.db2.gz MLIAOZXBVRRWCA-MXAVVETBSA-N 1 0 302.459 2.314 10 0 DEAERO 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YDDKGKNHQDTHSX-GFCCVEGCSA-N 1 0 316.405 2.085 10 0 DEAERO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@@H](OC)C2)n1 ZINC000619430705 363791695 /nfs/dbraw/zinc/79/16/95/363791695.db2.gz RISKAPQBFYSVTL-VXGBXAGGSA-N 1 0 312.435 2.410 10 0 DEAERO COC(=O)CCCN1CCC([NH2+]C[C@H](C)c2ccncc2)CC1 ZINC000611409595 361594755 /nfs/dbraw/zinc/59/47/55/361594755.db2.gz BMOJNSUKKNAZBR-HNNXBMFYSA-N 1 0 319.449 2.192 10 0 DEAERO O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195234252 201363129 /nfs/dbraw/zinc/36/31/29/201363129.db2.gz HRYNLYPDHCVWDQ-HRCADAONSA-N 1 0 303.381 2.171 10 0 DEAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000195271282 201371822 /nfs/dbraw/zinc/37/18/22/201371822.db2.gz ZPFZBYJDHAFWCJ-ROUUACIJSA-N 1 0 303.450 2.404 10 0 DEAERO C[NH2+][C@H]1C[C@@H](Oc2ccc(S(C)(=O)=O)cc2)C12CCCC2 ZINC000090862002 192938952 /nfs/dbraw/zinc/93/89/52/192938952.db2.gz ALDKCGWJBMLGPP-LSDHHAIUSA-N 1 0 309.431 2.390 10 0 DEAERO CCOC(=O)[C@H]1CC[C@@H](NCc2cn(C)nn2)c2ccccc21 ZINC000619822851 363880979 /nfs/dbraw/zinc/88/09/79/363880979.db2.gz RVXUTHVYNCBVNX-JKSUJKDBSA-N 1 0 314.389 2.087 10 0 DEAERO CC(=O)[C@@H](C)CCCCC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000620012285 363932391 /nfs/dbraw/zinc/93/23/91/363932391.db2.gz YIZYDMLQVXTBDG-WMLDXEAASA-N 1 0 324.465 2.141 10 0 DEAERO C[C@H]1C[NH2+]CCN1C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000090900098 192943665 /nfs/dbraw/zinc/94/36/65/192943665.db2.gz WFFXUKWDVCTKCX-GWCFXTLKSA-N 1 0 311.223 2.046 10 0 DEAERO Cc1nc(Cc2noc(-c3csc(CC[NH3+])n3)n2)cs1 ZINC000090938990 192957419 /nfs/dbraw/zinc/95/74/19/192957419.db2.gz IGFVBZARTCVQPA-UHFFFAOYSA-N 1 0 307.404 2.050 10 0 DEAERO Cn1cncc1[C@H]1C[C@@H]([NH2+]Cc2cccc3nccn32)CCO1 ZINC000275455622 212345326 /nfs/dbraw/zinc/34/53/26/212345326.db2.gz GUZPFWZSYTTZJK-XJKSGUPXSA-N 1 0 311.389 2.078 10 0 DEAERO CCOC(=O)c1cc(C[NH2+]CC(=O)NC2CCCCC2)[nH]c1C ZINC000449122052 240084523 /nfs/dbraw/zinc/08/45/23/240084523.db2.gz KGNDZBCNKXRGKF-UHFFFAOYSA-N 1 0 321.421 2.038 10 0 DEAERO CC[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)C1CCC1 ZINC000449148543 240124509 /nfs/dbraw/zinc/12/45/09/240124509.db2.gz KMURFJKJWQRCAI-KRWDZBQOSA-N 1 0 307.482 2.099 10 0 DEAERO C[C@](C[NH3+])(NS(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000130370523 291332831 /nfs/dbraw/zinc/33/28/31/291332831.db2.gz DVTXYFXYEXBKEN-GFCCVEGCSA-N 1 0 323.245 2.399 10 0 DEAERO Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CCO[C@@H]3C(C)C)cc12 ZINC000275359365 212290977 /nfs/dbraw/zinc/29/09/77/212290977.db2.gz VIHYZAYBFRYHBT-GDBMZVCRSA-N 1 0 302.422 2.427 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](C)c2ccccc2)CC12COC2 ZINC000449358044 240392903 /nfs/dbraw/zinc/39/29/03/240392903.db2.gz FHSGIFNOXZJRLH-ZBFHGGJFSA-N 1 0 303.402 2.302 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2OC)CC12COC2 ZINC000449360221 240393173 /nfs/dbraw/zinc/39/31/73/240393173.db2.gz HONQMTWHGREAOO-OAHLLOKOSA-N 1 0 319.401 2.015 10 0 DEAERO CCN1CCO[C@H](CNCc2c(F)ccc(F)c2Cl)C1 ZINC000623408068 365018418 /nfs/dbraw/zinc/01/84/18/365018418.db2.gz GWZINAJHKPGNIC-SNVBAGLBSA-N 1 0 304.768 2.429 10 0 DEAERO OCCN1CCC[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623406829 365018563 /nfs/dbraw/zinc/01/85/63/365018563.db2.gz LNEFXYKIDMVHMZ-LLVKDONJSA-N 1 0 308.369 2.313 10 0 DEAERO O[C@]1(C[NH2+]Cc2ccsc2Br)CCSC1 ZINC000623438654 365030348 /nfs/dbraw/zinc/03/03/48/365030348.db2.gz GYECGPNERZVOFX-JTQLQIEISA-N 1 0 308.266 2.468 10 0 DEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000623767640 365168180 /nfs/dbraw/zinc/16/81/80/365168180.db2.gz ZLHATPLQLZMTHS-NWDGAFQWSA-N 1 0 320.614 2.342 10 0 DEAERO COc1cccc2c1N(C(=O)C[C@H]1CSCC[NH2+]1)CCC2 ZINC000091137042 193003470 /nfs/dbraw/zinc/00/34/70/193003470.db2.gz UGGAHLALHQSKDN-ZDUSSCGKSA-N 1 0 306.431 2.070 10 0 DEAERO CN1CCOC[C@H]1C[NH2+]Cc1ccc(F)cc1Br ZINC000623711412 365139380 /nfs/dbraw/zinc/13/93/80/365139380.db2.gz DORMRJNSQJBMKI-GFCCVEGCSA-N 1 0 317.202 2.008 10 0 DEAERO Fc1ccccc1N1CCN(CC[C@H]2CSCC[NH2+]2)CC1 ZINC000091292044 193033037 /nfs/dbraw/zinc/03/30/37/193033037.db2.gz ORFPXKVIBHHXBK-AWEZNQCLSA-N 1 0 309.454 2.043 10 0 DEAERO CN(Cc1ccc(Cl)cc1)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321134 193040660 /nfs/dbraw/zinc/04/06/60/193040660.db2.gz NPAUIQPMOWQQFZ-AWEZNQCLSA-N 1 0 311.857 2.404 10 0 DEAERO CN1CCN(C(=[NH2+])c2cc(F)cc(Br)c2)CC1 ZINC000091332104 193042094 /nfs/dbraw/zinc/04/20/94/193042094.db2.gz UPNBUUQYUVJQIU-UHFFFAOYSA-N 1 0 300.175 2.161 10 0 DEAERO CCNc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000091427516 193053986 /nfs/dbraw/zinc/05/39/86/193053986.db2.gz KXHFWWDQIFLAHH-LBPRGKRZSA-N 1 0 310.829 2.333 10 0 DEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)C(C)(C)N(CC)CC ZINC000091531238 193069511 /nfs/dbraw/zinc/06/95/11/193069511.db2.gz VKEGXFLELKFOQK-CQSZACIVSA-N 1 0 306.516 2.300 10 0 DEAERO COc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1OC(F)F ZINC000091545411 193071212 /nfs/dbraw/zinc/07/12/12/193071212.db2.gz RQBAZEZOUYXEGU-DTWKUNHWSA-N 1 0 300.305 2.363 10 0 DEAERO CC[NH2+][C@@H](Cc1ccncc1Cl)C(C)(C)N1CCOCC1 ZINC000091566844 193073784 /nfs/dbraw/zinc/07/37/84/193073784.db2.gz ACJOPJQNIFNZMW-HNNXBMFYSA-N 1 0 311.857 2.366 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000091480039 193062053 /nfs/dbraw/zinc/06/20/53/193062053.db2.gz JBXZCGVLMJQBPQ-ZYHUDNBSSA-N 1 0 302.296 2.187 10 0 DEAERO COCC[NH2+]CC[C@](C)(O)Cc1ccc(Br)s1 ZINC000091505540 193066047 /nfs/dbraw/zinc/06/60/47/193066047.db2.gz BVOUUMBAKMITNH-LBPRGKRZSA-N 1 0 322.268 2.430 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)Cc1ccc(Br)s1 ZINC000091505535 193066452 /nfs/dbraw/zinc/06/64/52/193066452.db2.gz BVOUUMBAKMITNH-GFCCVEGCSA-N 1 0 322.268 2.430 10 0 DEAERO CCS(=O)(=O)CCC[C@@H](O)C1([NH+](C)C)CCCCCC1 ZINC000091653978 193084856 /nfs/dbraw/zinc/08/48/56/193084856.db2.gz SZMVKLHBOFIWCY-CQSZACIVSA-N 1 0 305.484 2.217 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1sccc1Br ZINC000091667233 193088086 /nfs/dbraw/zinc/08/80/86/193088086.db2.gz DYOJYDGKORISOB-NXEZZACHSA-N 1 0 319.268 2.492 10 0 DEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)CCN(CC)CC ZINC000091716725 193096642 /nfs/dbraw/zinc/09/66/42/193096642.db2.gz ITSQJQNATSGKBS-OAHLLOKOSA-N 1 0 306.516 2.301 10 0 DEAERO [NH3+]C1CCC(NS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000091843376 193116144 /nfs/dbraw/zinc/11/61/44/193116144.db2.gz PFEZRDIXMFZUTB-UHFFFAOYSA-N 1 0 306.790 2.027 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000624407058 365412945 /nfs/dbraw/zinc/41/29/45/365412945.db2.gz RXINPPMTUYMPHD-KOLCDFICSA-N 1 0 302.827 2.067 10 0 DEAERO CCOC[C@H](C)[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092049818 193148627 /nfs/dbraw/zinc/14/86/27/193148627.db2.gz SGRNDWDOIHSVLF-VIFPVBQESA-N 1 0 313.199 2.006 10 0 DEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cncc(Br)c1)C2 ZINC000629584704 367263796 /nfs/dbraw/zinc/26/37/96/367263796.db2.gz DLNZNGUZXALPMK-OKILXGFUSA-N 1 0 310.239 2.276 10 0 DEAERO COc1ccccc1C[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000092079716 193154667 /nfs/dbraw/zinc/15/46/67/193154667.db2.gz HMDDVLIMCWXVIZ-OAHLLOKOSA-N 1 0 304.434 2.380 10 0 DEAERO CO[C@@H]1CN(C(=O)c2ccc(F)cc2Cl)[C@](C)(C[NH3+])C1 ZINC000630365376 367613887 /nfs/dbraw/zinc/61/38/87/367613887.db2.gz VTVBBEWATUGOJC-HZMBPMFUSA-N 1 0 300.761 2.057 10 0 DEAERO CO[C@@H]1CN(C(=O)c2cccc(Cl)c2F)[C@](C)(C[NH3+])C1 ZINC000630376445 367619673 /nfs/dbraw/zinc/61/96/73/367619673.db2.gz WGSWHGQCTWDTPT-XPTSAGLGSA-N 1 0 300.761 2.057 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH2+]C3CC3)cc2)C[C@H]1C ZINC000092091459 193155930 /nfs/dbraw/zinc/15/59/30/193155930.db2.gz DRHNXUBHWAZTJK-CHWSQXEVSA-N 1 0 308.447 2.215 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2ccsc2C[NH2+]C2CC2)C[C@@H]1C ZINC000092113705 193161274 /nfs/dbraw/zinc/16/12/74/193161274.db2.gz WMDPNAZYDWLXAG-QWRGUYRKSA-N 1 0 314.476 2.277 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(CC)C2CC2)c(F)c1 ZINC000092115581 193163300 /nfs/dbraw/zinc/16/33/00/193163300.db2.gz UPTQWYKAPYBZPO-UHFFFAOYSA-N 1 0 314.426 2.498 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c(F)c1 ZINC000092115533 193163572 /nfs/dbraw/zinc/16/35/72/193163572.db2.gz ADPLLJOJXCHASU-VXGBXAGGSA-N 1 0 314.426 2.212 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115972 193164332 /nfs/dbraw/zinc/16/43/32/193164332.db2.gz VRVBLUKWXVQWNH-RISCZKNCSA-N 1 0 314.426 2.484 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000528749221 283997479 /nfs/dbraw/zinc/99/74/79/283997479.db2.gz CPEQVQPPZPDDQF-LMJFTQNUSA-N 1 0 321.417 2.030 10 0 DEAERO c1c(CNc2ccc3c[nH+]ccc3c2)nnn1C[C@H]1CCOC1 ZINC000631154642 368049219 /nfs/dbraw/zinc/04/92/19/368049219.db2.gz FMEBIJMGTRVGJR-CYBMUJFWSA-N 1 0 309.373 2.475 10 0 DEAERO CN(Cc1cccc(Br)c1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092205823 193172920 /nfs/dbraw/zinc/17/29/20/193172920.db2.gz TWJUGKPFIQQFAT-YPMHNXCESA-N 1 0 309.207 2.311 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCCCC[C@@H]([NH3+])C1 ZINC000631832354 368410710 /nfs/dbraw/zinc/41/07/10/368410710.db2.gz DIVJUXDFWLOUDR-DZGCQCFKSA-N 1 0 317.433 2.420 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000250442091 202821063 /nfs/dbraw/zinc/82/10/63/202821063.db2.gz QVNXNZPKNDEPHD-WDEREUQCSA-N 1 0 302.465 2.058 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000631959818 368467177 /nfs/dbraw/zinc/46/71/77/368467177.db2.gz BWYBILPJORVABT-CYBMUJFWSA-N 1 0 300.399 2.026 10 0 DEAERO [NH3+]C[C@H](C[C@@H]1Cc2ccccc2S1)[C@@H]1CCS(=O)(=O)C1 ZINC000092270408 193183833 /nfs/dbraw/zinc/18/38/33/193183833.db2.gz SBZRRBOVBVWWGI-RDBSUJKOSA-N 1 0 311.472 2.103 10 0 DEAERO C[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000182199610 296126858 /nfs/dbraw/zinc/12/68/58/296126858.db2.gz GBYFRBRWFRGCMA-UKRRQHHQSA-N 1 0 310.463 2.225 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000121392013 299392210 /nfs/dbraw/zinc/39/22/10/299392210.db2.gz QBLKTQAGYQEVMK-OPQQBVKSSA-N 1 0 301.383 2.057 10 0 DEAERO Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2)cc1 ZINC000261786548 203116756 /nfs/dbraw/zinc/11/67/56/203116756.db2.gz SLZRRSDRTUIGOL-PBHICJAKSA-N 1 0 312.369 2.449 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@@H](CSc3ccccc3)C2)O1 ZINC000261923893 203153542 /nfs/dbraw/zinc/15/35/42/203153542.db2.gz ZADCSZVQBINQIK-FMKPAKJESA-N 1 0 320.458 2.134 10 0 DEAERO C[NH2+]C[C@H](CCS(C)(=O)=O)c1cccc(Br)c1 ZINC000093167146 193208984 /nfs/dbraw/zinc/20/89/84/193208984.db2.gz VJJUMDGNVOKUPZ-NSHDSACASA-N 1 0 320.252 2.187 10 0 DEAERO CS(=O)(=O)CCC[C@H](C[NH3+])c1cccc(Br)c1 ZINC000093167288 193209768 /nfs/dbraw/zinc/20/97/68/193209768.db2.gz CXLCZOWNGYGFQU-LLVKDONJSA-N 1 0 320.252 2.316 10 0 DEAERO CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262370107 203276274 /nfs/dbraw/zinc/27/62/74/203276274.db2.gz LVVOETISUJNBCT-CQJJVWNLSA-N 1 0 308.397 2.406 10 0 DEAERO CCS(=O)(=O)CC[C@H](C[NH3+])c1ccccc1Br ZINC000093181420 193212905 /nfs/dbraw/zinc/21/29/05/193212905.db2.gz IZHOLDIFUXZWHC-SNVBAGLBSA-N 1 0 320.252 2.316 10 0 DEAERO O=S1(=O)CC[C@H](C2(Cc3c(F)cccc3Cl)C[NH2+]C2)C1 ZINC000093195394 193214846 /nfs/dbraw/zinc/21/48/46/193214846.db2.gz NIFIKMVFQIPMNY-JTQLQIEISA-N 1 0 317.813 2.046 10 0 DEAERO CS(=O)(=O)Nc1ccc(Cl)c(N[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000093206575 193216014 /nfs/dbraw/zinc/21/60/14/193216014.db2.gz JGFCXRVNIVWDTN-BDAKNGLRSA-N 1 0 303.815 2.003 10 0 DEAERO CS(=O)(=O)c1ccc(Cl)c(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093211602 193217298 /nfs/dbraw/zinc/21/72/98/193217298.db2.gz AXVVMSXPADOMPS-VHSXEESVSA-N 1 0 302.827 2.425 10 0 DEAERO CCc1nn(C)c(CO[C@@H]2CC[C@H]([NH3+])C2)c1Br ZINC000093217105 193217337 /nfs/dbraw/zinc/21/73/37/193217337.db2.gz IZHDMYTZSUSKTM-DTWKUNHWSA-N 1 0 302.216 2.141 10 0 DEAERO COCCN1C(=[NH2+])NC[C@]1(C)c1ccccc1C(F)(F)F ZINC000093380329 193240608 /nfs/dbraw/zinc/24/06/08/193240608.db2.gz NXTZLETYOFCPQA-CYBMUJFWSA-N 1 0 301.312 2.197 10 0 DEAERO CN(CCc1cccs1)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000093292230 193225426 /nfs/dbraw/zinc/22/54/26/193225426.db2.gz KBKPKNIZHSWLOT-CYBMUJFWSA-N 1 0 316.492 2.084 10 0 DEAERO C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000093303574 193226630 /nfs/dbraw/zinc/22/66/30/193226630.db2.gz WBILHIGZRVDSFM-WBVHZDCISA-N 1 0 309.450 2.436 10 0 DEAERO CS(=O)(=O)c1ccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093450947 193253700 /nfs/dbraw/zinc/25/37/00/193253700.db2.gz IFPYRGFPDLVBPE-OWCLPIDISA-N 1 0 308.447 2.423 10 0 DEAERO C[C@H](C[C@H]1CCCC[NH2+]1)Nc1cccc(NS(C)(=O)=O)c1 ZINC000093474000 193256575 /nfs/dbraw/zinc/25/65/75/193256575.db2.gz AZFVFQXHEPNSDW-CHWSQXEVSA-N 1 0 311.451 2.391 10 0 DEAERO CC[C@@]1(COC)C[NH+]=C(N)N1c1cccc(Br)c1 ZINC000093387150 193241467 /nfs/dbraw/zinc/24/14/67/193241467.db2.gz XROCKFCEUWVTPH-ZDUSSCGKSA-N 1 0 312.211 2.379 10 0 DEAERO [NH3+][C@@]1(C(=O)[O-])CCC[C@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000093596145 193271327 /nfs/dbraw/zinc/27/13/27/193271327.db2.gz SPRWFZKVWVBDTA-GWCFXTLKSA-N 1 0 308.344 2.233 10 0 DEAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCn1nc(C)c(Cl)c1C ZINC000093615453 193275202 /nfs/dbraw/zinc/27/52/02/193275202.db2.gz FWIJZOFCMCJXCZ-WFASDCNBSA-N 1 0 312.845 2.177 10 0 DEAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093696652 193292033 /nfs/dbraw/zinc/29/20/33/193292033.db2.gz ZSMIKAHOIJBQMI-LSDHHAIUSA-N 1 0 310.463 2.317 10 0 DEAERO C[NH2+][C@@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000093697931 193292961 /nfs/dbraw/zinc/29/29/61/193292961.db2.gz WTSVHAZHESITTM-ZBFHGGJFSA-N 1 0 310.463 2.399 10 0 DEAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000093699795 193294274 /nfs/dbraw/zinc/29/42/74/193294274.db2.gz RKHOXYLANCQPDA-DOMZBBRYSA-N 1 0 314.426 2.148 10 0 DEAERO CCC[NH2+]CC1(C[C@H]2CCCN(S(C)(=O)=O)C2)CCC1 ZINC000093701614 193294678 /nfs/dbraw/zinc/29/46/78/193294678.db2.gz IEKNUSKRGLLUCB-CQSZACIVSA-N 1 0 302.484 2.218 10 0 DEAERO CC[NH2+][C@@H]1CCC[C@H](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093702227 193294957 /nfs/dbraw/zinc/29/49/57/193294957.db2.gz STZXGAMIOHMUNS-QLFBSQMISA-N 1 0 302.484 2.216 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H](N(CC)CC(F)(F)F)C1 ZINC000093751291 193300018 /nfs/dbraw/zinc/30/00/18/193300018.db2.gz GEBCXJOTQRDNGA-DGCLKSJQSA-N 1 0 309.376 2.037 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000093770175 193303070 /nfs/dbraw/zinc/30/30/70/193303070.db2.gz FIYOVDVMBYKDAG-AWEZNQCLSA-N 1 0 320.433 2.240 10 0 DEAERO Cc1ccnc(S[C@@H]2CCC[C@]([NH2+]C(C)C)(C(N)=O)C2)n1 ZINC000093779124 193305569 /nfs/dbraw/zinc/30/55/69/193305569.db2.gz VPPJGJHZCBGISB-IUODEOHRSA-N 1 0 308.451 2.042 10 0 DEAERO CCC[NH2+][C@]1(CO)CCC[C@H](n2cc(Br)cn2)C1 ZINC000093784213 193307496 /nfs/dbraw/zinc/30/74/96/193307496.db2.gz ONLUSKCVSMJNTC-QWHCGFSZSA-N 1 0 316.243 2.491 10 0 DEAERO CCC[NH2+][C@]1(C(=O)[O-])CC[C@H]([N@H+](CCOC)[C@@H](C)CC)C1 ZINC000093827662 193312871 /nfs/dbraw/zinc/31/28/71/193312871.db2.gz YYCGAZNTZHUVDR-OFQRWUPVSA-N 1 0 300.443 2.109 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2nc3ccccc3s2)C1 ZINC000093849278 193318065 /nfs/dbraw/zinc/31/80/65/193318065.db2.gz WYQPCHNPQQETFG-XPTSAGLGSA-N 1 0 307.444 2.384 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)CCc1ccccc1 ZINC000093878224 193322374 /nfs/dbraw/zinc/32/23/74/193322374.db2.gz MGPCSIXGYMEHDW-UHFFFAOYSA-N 1 0 312.479 2.256 10 0 DEAERO C[NH2+][C@H](c1ccccc1C(F)(F)F)[C@H]1CN(C)CCN1C ZINC000093894706 193325511 /nfs/dbraw/zinc/32/55/11/193325511.db2.gz QACYFNSDJBGOEE-ZIAGYGMSSA-N 1 0 301.356 2.212 10 0 DEAERO CCC[C@H]1CCC[C@](C[NH3+])(N(C)CCS(C)(=O)=O)CC1 ZINC000094297891 193356932 /nfs/dbraw/zinc/35/69/32/193356932.db2.gz JAZQSYDXNYZBPE-GJZGRUSLSA-N 1 0 304.500 2.041 10 0 DEAERO CC1(C)CCCC[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000094330529 193359418 /nfs/dbraw/zinc/35/94/18/193359418.db2.gz IIIMHPZDRVCKIP-NSHDSACASA-N 1 0 302.465 2.454 10 0 DEAERO NC(=[NH2+])c1ccc(C(F)(F)F)nc1OCC1CCOCC1 ZINC000094336866 193361038 /nfs/dbraw/zinc/36/10/38/193361038.db2.gz PMZBBIKIIARFQR-UHFFFAOYSA-N 1 0 303.284 2.190 10 0 DEAERO CC[NH+](CC)CCOc1nc(C(F)(F)F)ccc1C(N)=S ZINC000094336372 193361208 /nfs/dbraw/zinc/36/12/08/193361208.db2.gz USINVLJAALCIIC-UHFFFAOYSA-N 1 0 321.368 2.455 10 0 DEAERO C[C@H]1CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)CC[C@@H]1[NH3+] ZINC000094340276 193361560 /nfs/dbraw/zinc/36/15/60/193361560.db2.gz MEDHEPMPWSXQCD-WDSKDSINSA-N 1 0 308.250 2.191 10 0 DEAERO CCN(CC)C(=O)COc1c(F)cc(C[C@@H](C)[NH3+])cc1F ZINC000094350027 193363375 /nfs/dbraw/zinc/36/33/75/193363375.db2.gz HYSULSLTTYTZAT-SNVBAGLBSA-N 1 0 300.349 2.102 10 0 DEAERO CCCCNC(=O)COc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350178 193363481 /nfs/dbraw/zinc/36/34/81/193363481.db2.gz SXDYVNMETHXOOT-JTQLQIEISA-N 1 0 300.349 2.150 10 0 DEAERO CCCN(CC1CC[NH2+]CC1)c1ncncc1Br ZINC000094043679 193340772 /nfs/dbraw/zinc/34/07/72/193340772.db2.gz QTBMXDAOJVWPMK-UHFFFAOYSA-N 1 0 313.243 2.455 10 0 DEAERO Clc1cnc(-c2noc([C@@H]3C[NH2+]CCO3)n2)c(Cl)c1 ZINC000094199297 193348574 /nfs/dbraw/zinc/34/85/74/193348574.db2.gz KJIPWWBWJVAZGM-QMMMGPOBSA-N 1 0 301.133 2.099 10 0 DEAERO Cn1cc(-n2c(N)[nH+]c3cc(Br)c(F)cc32)cn1 ZINC000094197308 193349006 /nfs/dbraw/zinc/34/90/06/193349006.db2.gz KIBKKUXEENQVHS-UHFFFAOYSA-N 1 0 310.130 2.243 10 0 DEAERO [NH3+]CCc1ccc(OCC(=O)Nc2cccc(Cl)c2)cn1 ZINC000094215219 193349721 /nfs/dbraw/zinc/34/97/21/193349721.db2.gz JEJYNCQLBZVQPB-UHFFFAOYSA-N 1 0 305.765 2.254 10 0 DEAERO Cc1cscc1[C@@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000094247457 193354241 /nfs/dbraw/zinc/35/42/41/193354241.db2.gz YZDYLKXGXVILER-HNNXBMFYSA-N 1 0 300.383 2.259 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H]2[C@@H]2CCCC2=O)C1 ZINC000094636741 193387135 /nfs/dbraw/zinc/38/71/35/193387135.db2.gz YOXPUFJRTAFLAX-LJISPDSOSA-N 1 0 313.463 2.176 10 0 DEAERO CCC[NH2+][C@H](c1ncccn1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641846 193388599 /nfs/dbraw/zinc/38/85/99/193388599.db2.gz QGMARFKXJAMARV-IHRRRGAJSA-N 1 0 311.451 2.121 10 0 DEAERO C[NH2+][C@H](c1ccc(F)cn1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094643098 193389075 /nfs/dbraw/zinc/38/90/75/193389075.db2.gz FAJXCVCMRZKXKF-JKOKRWQUSA-N 1 0 300.399 2.085 10 0 DEAERO COCC[NH2+]CC/C=C(/C)[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094645286 193389459 /nfs/dbraw/zinc/38/94/59/193389459.db2.gz IEJADVYYWRSLJU-TUJBUDNFSA-N 1 0 303.468 2.162 10 0 DEAERO CCS(=O)(=O)CCCN1CC(C)(C)[NH2+]Cc2ccccc21 ZINC000094420923 193369028 /nfs/dbraw/zinc/36/90/28/193369028.db2.gz NPYRBUPZEJYGCR-UHFFFAOYSA-N 1 0 310.463 2.200 10 0 DEAERO NC(=S)[C@@H](C[N@@H+]1CCN2CCCC[C@@H]2C1)c1ccccc1 ZINC000094439554 193370122 /nfs/dbraw/zinc/37/01/22/193370122.db2.gz ZVSHGJSNIYPCAR-CVEARBPZSA-N 1 0 303.475 2.226 10 0 DEAERO FC(F)(F)CCc1noc([C@@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000094492249 193373266 /nfs/dbraw/zinc/37/32/66/193373266.db2.gz ZNDKRFDNDQJPJD-MRVPVSSYSA-N 1 0 303.206 2.358 10 0 DEAERO C[N@@H+]1CCC[C@H](CNc2nc(Br)cn3ccnc23)C1 ZINC000094489910 193374015 /nfs/dbraw/zinc/37/40/15/193374015.db2.gz NUXNUKILGFZVLR-SNVBAGLBSA-N 1 0 324.226 2.246 10 0 DEAERO C[NH2+][C@H]([C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CSCCS1 ZINC000094499579 193374226 /nfs/dbraw/zinc/37/42/26/193374226.db2.gz OFEXOHYJCTXIDO-HZSPNIEDSA-N 1 0 317.520 2.399 10 0 DEAERO CC[NH2+][C@@H](Cc1ncnn1CC(C)C)[C@H]1CSCCS1 ZINC000094497545 193374546 /nfs/dbraw/zinc/37/45/46/193374546.db2.gz FVQYKLRCXZVLMA-QWHCGFSZSA-N 1 0 314.524 2.303 10 0 DEAERO CC[NH2+][C@H](Cc1nc2ccccc2n1C)[C@@H]1CSCCO1 ZINC000094503606 193374663 /nfs/dbraw/zinc/37/46/63/193374663.db2.gz YTIFEENBBHUPKH-HIFRSBDPSA-N 1 0 305.447 2.226 10 0 DEAERO CCn1nc(C[C@@H]([NH2+]C)[C@@H]2CSCCO2)c2ccccc21 ZINC000094503378 193374745 /nfs/dbraw/zinc/37/47/45/193374745.db2.gz ZUOWYZSSWQXICP-ZBFHGGJFSA-N 1 0 305.447 2.319 10 0 DEAERO CCC[NH2+][C@@H]1CCCc2sc([C@H]3CN4CCN3CC4)nc21 ZINC000094511098 193375215 /nfs/dbraw/zinc/37/52/15/193375215.db2.gz CJNANCRKOWUXQC-CHWSQXEVSA-N 1 0 306.479 2.192 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000094550166 193378828 /nfs/dbraw/zinc/37/88/28/193378828.db2.gz VAHBGWZOGWTKFU-IUODEOHRSA-N 1 0 304.415 2.198 10 0 DEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(Br)ccc1O ZINC000094573591 193381493 /nfs/dbraw/zinc/38/14/93/193381493.db2.gz CXPLHYHTUNJGHU-MRVPVSSYSA-N 1 0 301.184 2.481 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(Br)ccc1O ZINC000094573520 193381748 /nfs/dbraw/zinc/38/17/48/193381748.db2.gz RCIRIDUPWWKKGI-UHFFFAOYSA-N 1 0 301.184 2.481 10 0 DEAERO CNc1c(C(=O)N[C@H]2CC[N@H+](C)C2)cccc1C(F)(F)F ZINC000094598841 193383293 /nfs/dbraw/zinc/38/32/93/193383293.db2.gz IEZOEMSJEFYIBX-VIFPVBQESA-N 1 0 301.312 2.181 10 0 DEAERO O=C(c1cccc(C(F)(F)F)c1F)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000094599950 193383507 /nfs/dbraw/zinc/38/35/07/193383507.db2.gz MGMBJCWAAVHWQL-RKDXNWHRSA-N 1 0 302.271 2.136 10 0 DEAERO NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1ccncc1 ZINC000094615086 193384346 /nfs/dbraw/zinc/38/43/46/193384346.db2.gz GLCMMKXIUMRJLX-MLGOLLRUSA-N 1 0 305.447 2.340 10 0 DEAERO C[C@@H]([NH3+])C1CCN(c2nc3ccc(Br)cn3n2)CC1 ZINC000094608151 193384564 /nfs/dbraw/zinc/38/45/64/193384564.db2.gz GARBYXIOENKUCW-SECBINFHSA-N 1 0 324.226 2.055 10 0 DEAERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1nc2ccc(Br)cn2n1 ZINC000094608829 193384580 /nfs/dbraw/zinc/38/45/80/193384580.db2.gz SJPGLVYGMSWWOX-KOLCDFICSA-N 1 0 324.226 2.421 10 0 DEAERO Clc1ccc2nc(N3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)nn2c1 ZINC000094607477 193384629 /nfs/dbraw/zinc/38/46/29/193384629.db2.gz AXNADTMFKRLCNE-AAEUAGOBSA-N 1 0 305.813 2.351 10 0 DEAERO [NH3+][C@@H](C[S@@](=O)c1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000094625458 193385116 /nfs/dbraw/zinc/38/51/16/193385116.db2.gz UDABKWFYAVNIHB-ZSEKCTLFSA-N 1 0 307.346 2.362 10 0 DEAERO CC[NH2+][C@H](C)c1cc(F)ccc1OCCS(=O)(=O)CC ZINC000094618984 193385139 /nfs/dbraw/zinc/38/51/39/193385139.db2.gz XIKYRNLWYIYPMA-LLVKDONJSA-N 1 0 303.399 2.310 10 0 DEAERO CC[NH2+][C@@H](C)c1cc(F)ccc1OCCCS(C)(=O)=O ZINC000094618720 193385253 /nfs/dbraw/zinc/38/52/53/193385253.db2.gz VIXVUAMNVDFXDW-NSHDSACASA-N 1 0 303.399 2.310 10 0 DEAERO CC1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)COC1 ZINC000094722144 193394061 /nfs/dbraw/zinc/39/40/61/193394061.db2.gz PDCBFUKUCBWDEI-SNVBAGLBSA-N 1 0 320.216 2.359 10 0 DEAERO O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042902 284300486 /nfs/dbraw/zinc/30/04/86/284300486.db2.gz NOUJVXGUTWRYGZ-OAHLLOKOSA-N 1 0 307.825 2.495 10 0 DEAERO CCn1cnc2c1ncnc2N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000266284606 205236329 /nfs/dbraw/zinc/23/63/29/205236329.db2.gz VFGZMDLEXPTDNB-OLZOCXBDSA-N 1 0 302.426 2.013 10 0 DEAERO [NH3+]CCS[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000016900105 182063127 /nfs/dbraw/zinc/06/31/27/182063127.db2.gz GBPQMOYSIJVNDI-SNVBAGLBSA-N 1 0 318.320 2.029 10 0 DEAERO CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C)C2 ZINC000530289637 284396583 /nfs/dbraw/zinc/39/65/83/284396583.db2.gz FKVROCGMKNQUAX-MELADBBJSA-N 1 0 318.465 2.189 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000020024562 182180096 /nfs/dbraw/zinc/18/00/96/182180096.db2.gz GRALERONTONVCR-TXEJJXNPSA-N 1 0 305.447 2.237 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(CC[NH3+])cc1 ZINC000020224452 182198768 /nfs/dbraw/zinc/19/87/68/182198768.db2.gz ZCABDOKIRVFLGO-UHFFFAOYSA-N 1 0 308.378 2.436 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@H](OC)[C@@H](C)C2)CC1 ZINC000454654366 246037170 /nfs/dbraw/zinc/03/71/70/246037170.db2.gz OFSDRBYZVOPZFR-HOCLYGCPSA-N 1 0 311.470 2.175 10 0 DEAERO CCn1nc(C(=O)N2CCCC2)c2c1CC[N@@H+](C1CCCC1)C2 ZINC000020856069 182249370 /nfs/dbraw/zinc/24/93/70/182249370.db2.gz IUVCWNXFKHGGTJ-UHFFFAOYSA-N 1 0 316.449 2.440 10 0 DEAERO CCCOc1c(Cl)cc(Cl)cc1CNCC[NH2+]CCO ZINC000020967940 182256920 /nfs/dbraw/zinc/25/69/20/182256920.db2.gz GBYXEBHLYVRGDW-UHFFFAOYSA-N 1 0 321.248 2.454 10 0 DEAERO COc1c(Cl)cc(C[NH2+]CCN2CCOCC2)cc1Cl ZINC000020967753 182257212 /nfs/dbraw/zinc/25/72/12/182257212.db2.gz OFIBUWZDGWMZJV-UHFFFAOYSA-N 1 0 319.232 2.424 10 0 DEAERO CC[NH2+]C[C@H](Cc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000097917358 193766754 /nfs/dbraw/zinc/76/67/54/193766754.db2.gz DNIGZOIBKNOTIK-OLZOCXBDSA-N 1 0 317.401 2.168 10 0 DEAERO C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)C(=O)N1CCOCC1 ZINC000098123303 193788852 /nfs/dbraw/zinc/78/88/52/193788852.db2.gz ZIFQVLFSDZQBKW-NHYWBVRUSA-N 1 0 308.809 2.164 10 0 DEAERO CCC(CC)[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000035161844 182758000 /nfs/dbraw/zinc/75/80/00/182758000.db2.gz FHLDOLBNXBJPAP-CQSZACIVSA-N 1 0 313.467 2.138 10 0 DEAERO NC(=O)c1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1Cl ZINC000037046961 182864316 /nfs/dbraw/zinc/86/43/16/182864316.db2.gz IYYSSWIWQHAKLU-UHFFFAOYSA-N 1 0 303.749 2.150 10 0 DEAERO C[NH2+][C@@H]1CCN(c2ccc(I)cc2)C1 ZINC000037483563 182898239 /nfs/dbraw/zinc/89/82/39/182898239.db2.gz SPOGZLTYQVKIAN-SNVBAGLBSA-N 1 0 302.159 2.089 10 0 DEAERO COC(=O)c1sc(N[C@@H]2C[NH+]3CCC2CC3)nc1Cl ZINC000037579221 182910638 /nfs/dbraw/zinc/91/06/38/182910638.db2.gz FZOYEVCHNXUJEN-MRVPVSSYSA-N 1 0 301.799 2.089 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000487322190 248754825 /nfs/dbraw/zinc/75/48/25/248754825.db2.gz PWVCPHWMUZFHCY-UFGOTCBOSA-N 1 0 314.227 2.230 10 0 DEAERO C[C@H]1C[N@H+](CCCC(=O)Nc2ccc(Cl)c(N)c2)CCO1 ZINC000040162731 183042963 /nfs/dbraw/zinc/04/29/63/183042963.db2.gz OYZLLNQEDAUCJL-NSHDSACASA-N 1 0 311.813 2.362 10 0 DEAERO CCOC(=O)c1cc(CC)sc1NC(=O)C[NH2+]CC1CC1 ZINC000040833616 183140320 /nfs/dbraw/zinc/14/03/20/183140320.db2.gz QDAJAEUOEHNZRS-UHFFFAOYSA-N 1 0 310.419 2.425 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000040851620 183142185 /nfs/dbraw/zinc/14/21/85/183142185.db2.gz ZJZLBRFIBSAJFU-NSHDSACASA-N 1 0 310.419 2.480 10 0 DEAERO Nc1cc(Br)cnc1OCC[NH+]1CCCCC1 ZINC000040714000 183121935 /nfs/dbraw/zinc/12/19/35/183121935.db2.gz VZLAXEJWRAEDKM-UHFFFAOYSA-N 1 0 300.200 2.291 10 0 DEAERO COc1cc(Br)cc(C)c1NC(=O)C(C)(C)[NH3+] ZINC000040922833 183149050 /nfs/dbraw/zinc/14/90/50/183149050.db2.gz DRAISASXBOSGFZ-UHFFFAOYSA-N 1 0 301.184 2.442 10 0 DEAERO C[C@]([NH3+])(C(=O)NCc1cc(Br)ccc1F)C1CC1 ZINC000041069512 183162269 /nfs/dbraw/zinc/16/22/69/183162269.db2.gz RVDCKHRAMRSUCO-CYBMUJFWSA-N 1 0 315.186 2.332 10 0 DEAERO C[C@H](C(=O)N1C[C@@H](C)N(CC[NH+](C)C)[C@@H](C)C1)C1CCCC1 ZINC000041313782 183184716 /nfs/dbraw/zinc/18/47/16/183184716.db2.gz XRRDQWZIJLAVDT-XHSDSOJGSA-N 1 0 309.498 2.296 10 0 DEAERO COC(=O)Cc1c(C)[nH+]c2ccc(F)cc2c1NCCCO ZINC000041473555 183194074 /nfs/dbraw/zinc/19/40/74/183194074.db2.gz JYARPLQWPASNOI-UHFFFAOYSA-N 1 0 306.337 2.192 10 0 DEAERO OC[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(Br)cs1 ZINC000041678624 183216352 /nfs/dbraw/zinc/21/63/52/183216352.db2.gz PBOSYOJBHUIVMQ-NXEZZACHSA-N 1 0 306.225 2.313 10 0 DEAERO O[C@@H](C[NH2+]CCc1ccc(Cl)cc1)COC[C@H]1CCCO1 ZINC000042258304 183247435 /nfs/dbraw/zinc/24/74/35/183247435.db2.gz SXUDDNDAMNTEQN-JKSUJKDBSA-N 1 0 313.825 2.029 10 0 DEAERO COC[C@@H](C)NC(=O)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000042312293 183252969 /nfs/dbraw/zinc/25/29/69/183252969.db2.gz CNEZCSXZONCBQY-SNVBAGLBSA-N 1 0 319.232 2.277 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1OCC(=O)NC(C)C ZINC000042411557 183265428 /nfs/dbraw/zinc/26/54/28/183265428.db2.gz NPKYLUHTDNOFPN-UHFFFAOYSA-N 1 0 315.211 2.072 10 0 DEAERO CCC[NH2+]Cc1cccc(Br)c1O[C@@H](C)C(N)=O ZINC000042411781 183265806 /nfs/dbraw/zinc/26/58/06/183265806.db2.gz RCAVAVMOZQEPBQ-VIFPVBQESA-N 1 0 315.211 2.201 10 0 DEAERO CCN(C[C@@H](C)C[NH3+])c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000042442277 183271326 /nfs/dbraw/zinc/27/13/26/183271326.db2.gz OSJRZLOVQSYMCW-JTQLQIEISA-N 1 0 324.368 2.401 10 0 DEAERO COCCN(C)[C@@H](C[NH3+])c1cc(Br)ccc1OC ZINC000042458842 183272635 /nfs/dbraw/zinc/27/26/35/183272635.db2.gz FAJCSRMLVDRNBV-LBPRGKRZSA-N 1 0 317.227 2.036 10 0 DEAERO COCCN([C@@H](C)COC)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042602958 183290310 /nfs/dbraw/zinc/29/03/10/183290310.db2.gz FAAVDJSSTLZFOF-QWRGUYRKSA-N 1 0 306.859 2.385 10 0 DEAERO [NH3+][C@H](CN(CC(F)(F)F)C1CC1)c1ccc2c(c1)OCO2 ZINC000042748913 183304310 /nfs/dbraw/zinc/30/43/10/183304310.db2.gz YKXLZANZZJTEGW-LLVKDONJSA-N 1 0 302.296 2.442 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCC[C@@H]1C(=O)N(C)C ZINC000043051530 183333171 /nfs/dbraw/zinc/33/31/71/183333171.db2.gz LGQYOMVDLCXDMW-GLQYFDAESA-N 1 0 309.841 2.281 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCC[C@H](O)C1 ZINC000042953527 183322399 /nfs/dbraw/zinc/32/23/99/183322399.db2.gz XETFDUMZLJOUDK-BPNCWPANSA-N 1 0 313.239 2.294 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N(CC(N)=O)C1CCCC1 ZINC000043015968 183327852 /nfs/dbraw/zinc/32/78/52/183327852.db2.gz ABQGUYAHVHPELO-MEDUHNTESA-N 1 0 309.841 2.458 10 0 DEAERO Cc1ccccc1[C@@H](C[NH3+])Oc1cccc(S(C)(=O)=O)c1 ZINC000043040301 183331805 /nfs/dbraw/zinc/33/18/05/183331805.db2.gz JBHGZZWUCLIKMX-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO CC[C@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(C)s1 ZINC000043247023 183346432 /nfs/dbraw/zinc/34/64/32/183346432.db2.gz UUUSAKMTYBQJPY-UFBFGSQYSA-N 1 0 310.448 2.293 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CCOCC1 ZINC000043258517 183348225 /nfs/dbraw/zinc/34/82/25/183348225.db2.gz BJGPKJWDBUZDSZ-KWQFWETISA-N 1 0 305.241 2.231 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N1CCC[C@@H]1CO ZINC000043261354 183349112 /nfs/dbraw/zinc/34/91/12/183349112.db2.gz XNMCCSBEQTVXFP-KBVBSXBZSA-N 1 0 319.268 2.356 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CCC(O)CC1 ZINC000043284548 183350862 /nfs/dbraw/zinc/35/08/62/183350862.db2.gz MLEHQINHMFWOSH-UFBFGSQYSA-N 1 0 319.268 2.356 10 0 DEAERO CC[NH2+][C@H](c1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300990 183352086 /nfs/dbraw/zinc/35/20/86/183352086.db2.gz FXBAYXMNLLMVBH-MFKMUULPSA-N 1 0 319.373 2.373 10 0 DEAERO Cc1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)c1C ZINC000043304733 183353062 /nfs/dbraw/zinc/35/30/62/183353062.db2.gz MKGVUFUTNTYJLJ-UHFFFAOYSA-N 1 0 304.415 2.241 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1nnnn1C1CCCC1)c1ccccn1 ZINC000043344515 183356731 /nfs/dbraw/zinc/35/67/31/183356731.db2.gz NVOSCJQVGOZTND-MFKMUULPSA-N 1 0 304.423 2.364 10 0 DEAERO COCCN(C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043092709 183335608 /nfs/dbraw/zinc/33/56/08/183335608.db2.gz FVRLYWZOQFQDOU-MFKMUULPSA-N 1 0 301.228 2.416 10 0 DEAERO C[NH2+]Cc1ccc(OCC(=O)NCC(F)(F)F)c(Cl)c1 ZINC000043478241 183365990 /nfs/dbraw/zinc/36/59/90/183365990.db2.gz DANQPWCOUFJNQD-UHFFFAOYSA-N 1 0 310.703 2.117 10 0 DEAERO C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)OC ZINC000043624135 183375861 /nfs/dbraw/zinc/37/58/61/183375861.db2.gz YELONTRFLLASSC-QMMMGPOBSA-N 1 0 302.168 2.109 10 0 DEAERO CC[NH2+]Cc1cccc(Br)c1O[C@H](C)C(=O)OC ZINC000043625540 183376077 /nfs/dbraw/zinc/37/60/77/183376077.db2.gz BMXUPIXWCQBYAG-SECBINFHSA-N 1 0 316.195 2.499 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1N(CC)CC(F)(F)F)OCCO2 ZINC000043980307 183390904 /nfs/dbraw/zinc/39/09/04/183390904.db2.gz GVTNGWDIXIEIBW-NEPJUHHUSA-N 1 0 310.360 2.144 10 0 DEAERO CC[NH2+]CCN(C)Cc1ccc(OC)c(Br)c1 ZINC000045147312 183484311 /nfs/dbraw/zinc/48/43/11/183484311.db2.gz CGUWWAZCZLQVNY-UHFFFAOYSA-N 1 0 301.228 2.499 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000045544802 183514184 /nfs/dbraw/zinc/51/41/84/183514184.db2.gz CELILCFIFALIJY-LBPRGKRZSA-N 1 0 307.394 2.117 10 0 DEAERO COc1ccc(CC[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000284620338 218103652 /nfs/dbraw/zinc/10/36/52/218103652.db2.gz AXSXFFMYLOIFTQ-KURKYZTESA-N 1 0 305.418 2.100 10 0 DEAERO CCOc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000105116197 194076358 /nfs/dbraw/zinc/07/63/58/194076358.db2.gz WWXXDSAABSEDGU-MRXNPFEDSA-N 1 0 317.433 2.465 10 0 DEAERO CCCN(CCc1ccccn1)C(=O)NC1CC[NH+](C)CC1 ZINC000105080016 194071104 /nfs/dbraw/zinc/07/11/04/194071104.db2.gz RBODNLNFWUVMSA-UHFFFAOYSA-N 1 0 304.438 2.140 10 0 DEAERO COCC[N@@H+]1CCN(CCOc2c(C)cccc2C)C[C@H]1C ZINC000105913985 194169225 /nfs/dbraw/zinc/16/92/25/194169225.db2.gz HPWHIVPEQFQXSF-QGZVFWFLSA-N 1 0 306.450 2.335 10 0 DEAERO C[C@@H](NC(=O)CSC(N)=[NH2+])c1ccc(Br)cc1 ZINC000106094779 194185272 /nfs/dbraw/zinc/18/52/72/194185272.db2.gz OVYLVZXCXYVXLO-SSDOTTSWSA-N 1 0 316.224 2.253 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC000106097766 194186414 /nfs/dbraw/zinc/18/64/14/194186414.db2.gz SXIFDRNOQHVCRE-CHWSQXEVSA-N 1 0 314.376 2.175 10 0 DEAERO COc1cc(C)cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1O ZINC000106458410 194216813 /nfs/dbraw/zinc/21/68/13/194216813.db2.gz ISIOBXOIIVCBNZ-CYBMUJFWSA-N 1 0 306.406 2.313 10 0 DEAERO COc1cc(C)cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1O ZINC000106458405 194217618 /nfs/dbraw/zinc/21/76/18/194217618.db2.gz ISIOBXOIIVCBNZ-ZDUSSCGKSA-N 1 0 306.406 2.313 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000155024247 197014600 /nfs/dbraw/zinc/01/46/00/197014600.db2.gz RWEPTKFCDVDSHU-BETUJISGSA-N 1 0 315.417 2.200 10 0 DEAERO O=S(=O)(CC1CC[NH2+]CC1)N(Cc1ccsc1)C1CC1 ZINC000049644920 183751078 /nfs/dbraw/zinc/75/10/78/183751078.db2.gz FMKZEWBUARRORW-UHFFFAOYSA-N 1 0 314.476 2.042 10 0 DEAERO CCN([C@@](C)(CC)C[NH3+])S(=O)(=O)c1ccc(F)cc1F ZINC000050093537 183772589 /nfs/dbraw/zinc/77/25/89/183772589.db2.gz PCMUEOMRVWQOJV-ZDUSSCGKSA-N 1 0 306.378 2.103 10 0 DEAERO CC[NH2+][C@](C)(CCCCn1nc(C)c(Cl)c1C)C(N)=O ZINC000050588456 183789693 /nfs/dbraw/zinc/78/96/93/183789693.db2.gz VYCDYCJIYVHNEK-CQSZACIVSA-N 1 0 300.834 2.177 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1ncnc2[nH]cnc21)c1ccncc1 ZINC000051036022 183811667 /nfs/dbraw/zinc/81/16/67/183811667.db2.gz RQSVNXJALANOCF-ZYHUDNBSSA-N 1 0 300.391 2.319 10 0 DEAERO CCC[NH2+]Cc1nnnn1-c1ccc(C)c(Br)c1 ZINC000109437360 194263487 /nfs/dbraw/zinc/26/34/87/194263487.db2.gz NWOBAFXFBSSGQI-UHFFFAOYSA-N 1 0 310.199 2.233 10 0 DEAERO CC(C)(C(N)=S)[NH+]1CCN(C(=O)C2CCCCCC2)CC1 ZINC000109466062 194266999 /nfs/dbraw/zinc/26/69/99/194266999.db2.gz HULPMAMOHSYQFY-UHFFFAOYSA-N 1 0 311.495 2.166 10 0 DEAERO Cc1ccc(CN2CC[NH+](C(C)(C)C(N)=S)CC2)cc1C ZINC000109470721 194267258 /nfs/dbraw/zinc/26/72/58/194267258.db2.gz MFGGLANIAMBHNJ-UHFFFAOYSA-N 1 0 305.491 2.486 10 0 DEAERO C[NH2+]C[C@H](C)OCC(=O)Nc1ccc(Br)cc1 ZINC000051842425 183838743 /nfs/dbraw/zinc/83/87/43/183838743.db2.gz JFWWJAMNDSLSTG-VIFPVBQESA-N 1 0 301.184 2.012 10 0 DEAERO CCCCOCC[C@@H](C[NH2+]C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052951484 183881425 /nfs/dbraw/zinc/88/14/25/183881425.db2.gz OXVRAVFSMNQDOV-LSDHHAIUSA-N 1 0 305.484 2.242 10 0 DEAERO CC[NH2+]C[C@H](Cc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000052950569 183881611 /nfs/dbraw/zinc/88/16/11/183881611.db2.gz RIDJNOMDSSLTDL-STQMWFEESA-N 1 0 317.401 2.168 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(c2nc(C)cc(C)c2C(N)=S)C1 ZINC000110278424 194319292 /nfs/dbraw/zinc/31/92/92/194319292.db2.gz MZMXMRFQRSNPSO-CYBMUJFWSA-N 1 0 306.479 2.253 10 0 DEAERO Cc1cc(C)c(C(N)=S)c(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000110278527 194319520 /nfs/dbraw/zinc/31/95/20/194319520.db2.gz NEPCCRFLHQHLDA-CYBMUJFWSA-N 1 0 304.463 2.007 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000053703808 183910379 /nfs/dbraw/zinc/91/03/79/183910379.db2.gz KSQQZFVLUOACSQ-NSHDSACASA-N 1 0 322.352 2.168 10 0 DEAERO CC[C@@H]1CN(C(=O)C2(C(N)=S)CCCCCC2)CC[N@@H+]1C ZINC000110753231 194356707 /nfs/dbraw/zinc/35/67/07/194356707.db2.gz SWNLBGMVTPFZST-CYBMUJFWSA-N 1 0 311.495 2.166 10 0 DEAERO CCN(C(=O)c1cncc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000110939336 194372658 /nfs/dbraw/zinc/37/26/58/194372658.db2.gz CIEBQLDKYAHSJY-GFCCVEGCSA-N 1 0 312.211 2.058 10 0 DEAERO CC[C@@](C)(C[NH2+]CCOC)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000054661938 183947580 /nfs/dbraw/zinc/94/75/80/183947580.db2.gz IQKDDNWRSRDQPG-HOCLYGCPSA-N 1 0 311.447 2.210 10 0 DEAERO C[NH2+]Cc1sc(N2CCS(=O)CC2)nc1-c1ccccc1 ZINC000054999527 183957224 /nfs/dbraw/zinc/95/72/24/183957224.db2.gz XPKBLELYRUAWMH-UHFFFAOYSA-N 1 0 321.471 2.098 10 0 DEAERO CN(CC(=O)Nc1ncc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000111237750 194410360 /nfs/dbraw/zinc/41/03/60/194410360.db2.gz KHZVZHNPYMQIKN-SNVBAGLBSA-N 1 0 317.220 2.011 10 0 DEAERO CCOc1ccccc1NC(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000061040966 184160473 /nfs/dbraw/zinc/16/04/73/184160473.db2.gz SDJOSQUOPMDGCY-UHFFFAOYSA-N 1 0 317.433 2.194 10 0 DEAERO CC[C@@H](NC(=O)CN1CCC[NH2+]CC1)c1cccc(Cl)c1 ZINC000061270211 184167117 /nfs/dbraw/zinc/16/71/17/184167117.db2.gz XYTPAZPZQYWTOX-OAHLLOKOSA-N 1 0 309.841 2.203 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1cc(F)ccc1Br ZINC000061266253 184167258 /nfs/dbraw/zinc/16/72/58/184167258.db2.gz ACCVKVHOJZEPEC-SECBINFHSA-N 1 0 317.202 2.450 10 0 DEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000061318532 184168451 /nfs/dbraw/zinc/16/84/51/184168451.db2.gz JRHWLAOZKHIPOG-UHFFFAOYSA-N 1 0 309.797 2.403 10 0 DEAERO Cc1ccccc1[C@H](Sc1n[nH]c(=O)n1C1CC1)[C@H](C)[NH3+] ZINC000061594584 184175927 /nfs/dbraw/zinc/17/59/27/184175927.db2.gz QUONLXHXCYOWHB-GXFFZTMASA-N 1 0 304.419 2.395 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccc(F)cc1 ZINC000061594683 184176061 /nfs/dbraw/zinc/17/60/61/184176061.db2.gz LWZQTKBAINTFMK-PRHODGIISA-N 1 0 308.382 2.226 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1cccc(F)c1 ZINC000061594436 184176108 /nfs/dbraw/zinc/17/61/08/184176108.db2.gz ZWAUYRKKHIWHMJ-RYUDHWBXSA-N 1 0 310.398 2.301 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C(C)C)c1ccccn1 ZINC000061595246 184176409 /nfs/dbraw/zinc/17/64/09/184176409.db2.gz LUGGPUVSMIGTQX-PWSUYJOCSA-N 1 0 307.423 2.118 10 0 DEAERO CCCn1c(S[C@H](c2cccc(F)c2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594982 184176609 /nfs/dbraw/zinc/17/66/09/184176609.db2.gz NCEMIYCATSTXQT-SKDRFNHKSA-N 1 0 310.398 2.301 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)C1(C(N)=S)CCCCCC1 ZINC000061646156 184181334 /nfs/dbraw/zinc/18/13/34/184181334.db2.gz YCMHPXJJOWSYIC-ZDUSSCGKSA-N 1 0 311.495 2.166 10 0 DEAERO C[C@@]([NH2+]CC1CC1)(C(N)=O)c1ccc(F)c(Br)c1 ZINC000061689386 184182857 /nfs/dbraw/zinc/18/28/57/184182857.db2.gz KLTIBNNCFQCSDK-ZDUSSCGKSA-N 1 0 315.186 2.288 10 0 DEAERO CC[NH2+]Cc1nnnn1-c1cc(Br)ccc1Cl ZINC000061692619 184183591 /nfs/dbraw/zinc/18/35/91/184183591.db2.gz QCYLSXUWBLSJCB-UHFFFAOYSA-N 1 0 316.590 2.188 10 0 DEAERO [NH3+]Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)s1 ZINC000061841357 184189320 /nfs/dbraw/zinc/18/93/20/184189320.db2.gz WYUYZPIQKLQWCD-UHFFFAOYSA-N 1 0 316.835 2.339 10 0 DEAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061940918 184197266 /nfs/dbraw/zinc/19/72/66/184197266.db2.gz LCXDYJIMHKNIIA-HZSPNIEDSA-N 1 0 307.404 2.320 10 0 DEAERO C[NH2+]Cc1cccc(CN2CCN(CC(F)(F)F)CC2)c1 ZINC000061948289 184198029 /nfs/dbraw/zinc/19/80/29/184198029.db2.gz CYMBXFAPMZHEBO-UHFFFAOYSA-N 1 0 301.356 2.086 10 0 DEAERO CCCc1nc(N(C)CCCOC)sc1C[NH2+]CCOC ZINC000062037804 184202764 /nfs/dbraw/zinc/20/27/64/184202764.db2.gz BRMUOKNMTLLJLN-UHFFFAOYSA-N 1 0 315.483 2.304 10 0 DEAERO COCCC[NH+]1[C@H](C)CN(C(=O)NC2CCCCC2)C[C@H]1C ZINC000062090830 184205303 /nfs/dbraw/zinc/20/53/03/184205303.db2.gz KZEHGACTMQQSEY-HUUCEWRRSA-N 1 0 311.470 2.460 10 0 DEAERO C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCCN1Cc1ccccc1F ZINC000062092583 184205580 /nfs/dbraw/zinc/20/55/80/184205580.db2.gz RILMFVSBNWJJEC-MRXNPFEDSA-N 1 0 321.440 2.247 10 0 DEAERO COC(=O)CC[C@H]([NH3+])Cc1ccc(OC)c(Br)c1 ZINC000061893335 184192971 /nfs/dbraw/zinc/19/29/71/184192971.db2.gz XYIBZIMHLKRAFR-JTQLQIEISA-N 1 0 316.195 2.281 10 0 DEAERO COCCN1C(=O)C[C@@H]([NH3+])[C@@H]1c1c(Cl)cccc1Cl ZINC000062210262 184220517 /nfs/dbraw/zinc/22/05/17/184220517.db2.gz FCMGBGIVIDXCLS-ZWNOBZJWSA-N 1 0 303.189 2.241 10 0 DEAERO CCCN1C(=O)CC[C@@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000062212207 184221648 /nfs/dbraw/zinc/22/16/48/184221648.db2.gz KWBZKJRJHADFQA-PELKAZGASA-N 1 0 301.184 2.443 10 0 DEAERO CN(Cc1nccn1C)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000062247659 184225271 /nfs/dbraw/zinc/22/52/71/184225271.db2.gz VTURPMMHDXDOSQ-CYBMUJFWSA-N 1 0 323.238 2.314 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000062960076 184262253 /nfs/dbraw/zinc/26/22/53/184262253.db2.gz PGPHHLBIWRXOMX-CQSZACIVSA-N 1 0 302.484 2.361 10 0 DEAERO CC(C)C[NH2+]Cc1ccccc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000062736357 184251126 /nfs/dbraw/zinc/25/11/26/184251126.db2.gz DGERFBAXFSGDKA-OAHLLOKOSA-N 1 0 310.463 2.056 10 0 DEAERO COCC[NH2+]Cc1ccc(O[C@@H](C)C(=O)OC)c(Cl)c1 ZINC000062730580 184251494 /nfs/dbraw/zinc/25/14/94/184251494.db2.gz CHUSUDJPOODJAI-JTQLQIEISA-N 1 0 301.770 2.016 10 0 DEAERO CCC[NH2+][C@H](C)c1ccc(F)cc1OCCS(C)(=O)=O ZINC000062747225 184252140 /nfs/dbraw/zinc/25/21/40/184252140.db2.gz VBZOSMCKNHUSLK-LLVKDONJSA-N 1 0 303.399 2.310 10 0 DEAERO CC[C@@]1(C(=O)Nc2cc(C(=O)OC)ccc2Cl)CC[NH2+]C1 ZINC000062892816 184258355 /nfs/dbraw/zinc/25/83/55/184258355.db2.gz ARXJTZUXVTUKNS-OAHLLOKOSA-N 1 0 310.781 2.455 10 0 DEAERO COc1ccc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc1OC(F)F ZINC000062893579 184258898 /nfs/dbraw/zinc/25/88/98/184258898.db2.gz MHLGSLSVSOGUCS-AWEZNQCLSA-N 1 0 300.305 2.235 10 0 DEAERO NC(=S)c1ccc(F)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000062940852 184260947 /nfs/dbraw/zinc/26/09/47/184260947.db2.gz GSKAPWYXOZCXLB-CQSZACIVSA-N 1 0 307.438 2.130 10 0 DEAERO CC[NH2+]Cc1ccc(O[C@@H](C)C(=O)NC)c(Br)c1 ZINC000062701225 184247827 /nfs/dbraw/zinc/24/78/27/184247827.db2.gz JXZYKTDWACLVLG-VIFPVBQESA-N 1 0 315.211 2.072 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccccc1Cl ZINC000063213126 184278427 /nfs/dbraw/zinc/27/84/27/184278427.db2.gz PAMLFSCCPWFCTP-RYUDHWBXSA-N 1 0 302.827 2.278 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000063213794 184278839 /nfs/dbraw/zinc/27/88/39/184278839.db2.gz SITMCBBSDCISDH-NEPJUHHUSA-N 1 0 320.817 2.417 10 0 DEAERO CCNS(=O)(=O)c1ccc(N[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000063214800 184278988 /nfs/dbraw/zinc/27/89/88/184278988.db2.gz WWFQUYLILMRORI-CABCVRRESA-N 1 0 311.451 2.057 10 0 DEAERO NC(=S)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000062980103 184264326 /nfs/dbraw/zinc/26/43/26/184264326.db2.gz VRVUWCBEHMZZBB-CQSZACIVSA-N 1 0 307.438 2.130 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCCCS(C)(=O)=O ZINC000063014500 184266385 /nfs/dbraw/zinc/26/63/85/184266385.db2.gz WKSYGICDLJVXKK-NSHDSACASA-N 1 0 303.399 2.310 10 0 DEAERO Cc1cc(C[NH2+]C2CC2)cc(C)c1OCCCS(C)(=O)=O ZINC000063014302 184266646 /nfs/dbraw/zinc/26/66/46/184266646.db2.gz DWRXPIWHARGXMQ-UHFFFAOYSA-N 1 0 311.447 2.369 10 0 DEAERO CC[C@@H]([NH3+])Cc1ccc(OCCCS(C)(=O)=O)c(Cl)c1 ZINC000063017592 184267249 /nfs/dbraw/zinc/26/72/49/184267249.db2.gz WIZQFDQQCAXFET-GFCCVEGCSA-N 1 0 319.854 2.433 10 0 DEAERO CC[NH2+]C[C@H](CCCS(C)(=O)=O)Cc1cccc(OC)c1 ZINC000063018291 184267600 /nfs/dbraw/zinc/26/76/00/184267600.db2.gz YLVGLCHVRUWRFO-OAHLLOKOSA-N 1 0 313.463 2.288 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000063138689 184273232 /nfs/dbraw/zinc/27/32/32/184273232.db2.gz ZMLYUMNHXOMWKN-ZDUSSCGKSA-N 1 0 314.426 2.224 10 0 DEAERO CCNC(=O)c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000066213218 184397072 /nfs/dbraw/zinc/39/70/72/184397072.db2.gz DEWRTYSPOCYITH-UHFFFAOYSA-N 1 0 303.406 2.251 10 0 DEAERO C[NH2+]CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000066225865 184397866 /nfs/dbraw/zinc/39/78/66/184397866.db2.gz FLWMVJAVDQZOCM-ZDUSSCGKSA-N 1 0 311.385 2.336 10 0 DEAERO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(CC[NH3+])cc2)C[C@@H]1C ZINC000068586336 184492801 /nfs/dbraw/zinc/49/28/01/184492801.db2.gz RWRZTZASOYYXRS-KCQAQPDRSA-N 1 0 310.463 2.291 10 0 DEAERO CCC[NH2+][C@](C)(C[C@H](C)Oc1ccc(F)cc1F)C(N)=O ZINC000068654841 184496257 /nfs/dbraw/zinc/49/62/57/184496257.db2.gz CIPZBCCCSVYYAJ-ZUZCIYMTSA-N 1 0 300.349 2.366 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)c1ccc(Br)c(F)c1 ZINC000069132539 184499899 /nfs/dbraw/zinc/49/98/99/184499899.db2.gz PYSIFQFCPZNUGY-DTORHVGOSA-N 1 0 315.186 2.411 10 0 DEAERO CCc1c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)[nH]c(C)c1C(C)=O ZINC000113225988 194566300 /nfs/dbraw/zinc/56/63/00/194566300.db2.gz DPNHGGZOCQYVKG-FZMZJTMJSA-N 1 0 317.433 2.397 10 0 DEAERO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC3(C2)CCCCC3)C1 ZINC000369742753 532976332 /nfs/dbraw/zinc/97/63/32/532976332.db2.gz UQFBHCCIUYKRHE-OAHLLOKOSA-N 1 0 309.454 2.073 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248409792 285023773 /nfs/dbraw/zinc/02/37/73/285023773.db2.gz CVDKKDNGWHQUCH-YLFCFFPRSA-N 1 0 323.481 2.317 10 0 DEAERO Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)n1 ZINC000538627608 285042195 /nfs/dbraw/zinc/04/21/95/285042195.db2.gz IWMOFTOPAHMUIH-CYBMUJFWSA-N 1 0 309.435 2.281 10 0 DEAERO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n2ncnc2n1 ZINC000270269179 208333540 /nfs/dbraw/zinc/33/35/40/208333540.db2.gz JZOWANFTBBMXOU-ZBFHGGJFSA-N 1 0 308.389 2.290 10 0 DEAERO C[NH2+][C@H](CSc1nnc(C2CC2)n1C1CC1)[C@H]1CCOC1 ZINC000159226705 197338236 /nfs/dbraw/zinc/33/82/36/197338236.db2.gz QDXFWPQWCFMILO-WCQYABFASA-N 1 0 308.451 2.207 10 0 DEAERO [NH3+]C[C@H](Cc1cc(F)cc(C(F)(F)F)c1)C(=O)NC1CC1 ZINC000159198817 197335337 /nfs/dbraw/zinc/33/53/37/197335337.db2.gz XLAZXRAIXJHQBQ-VIFPVBQESA-N 1 0 304.287 2.241 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)CC2CCCC2)cc(C[NH3+])c1F ZINC000159116557 197328879 /nfs/dbraw/zinc/32/88/79/197328879.db2.gz SEBHEKQPURTLPV-UHFFFAOYSA-N 1 0 314.426 2.404 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2C[C@@H]2C)cc(C[NH2+]C2CC2)c1F ZINC000159108533 197327611 /nfs/dbraw/zinc/32/76/11/197327611.db2.gz MCBCIQUYQJXPOC-XPTSAGLGSA-N 1 0 312.410 2.073 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000159101185 197327163 /nfs/dbraw/zinc/32/71/63/197327163.db2.gz OKWXLBGSDIHWBD-SNVBAGLBSA-N 1 0 316.785 2.050 10 0 DEAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2COc3ccccc32)C1 ZINC000158928650 197312141 /nfs/dbraw/zinc/31/21/41/197312141.db2.gz OOBFOOUYWJTVCH-GDBMZVCRSA-N 1 0 317.433 2.397 10 0 DEAERO Cc1cc(C[C@H](C)[NH3+])cnc1Sc1nnc(N(C)C)s1 ZINC000158964388 197315144 /nfs/dbraw/zinc/31/51/44/197315144.db2.gz HBDDJJIQABBMAJ-VIFPVBQESA-N 1 0 309.464 2.348 10 0 DEAERO C[C@H]([NH3+])Cc1ccc(Sc2nnc3n2CCCCC3)nc1 ZINC000158957682 197314254 /nfs/dbraw/zinc/31/42/54/197314254.db2.gz YVOBVZMCLVOYLS-NSHDSACASA-N 1 0 303.435 2.440 10 0 DEAERO COc1ccc(C[C@@H]([NH3+])c2c(Br)cnn2C)cc1 ZINC000158882735 197308130 /nfs/dbraw/zinc/30/81/30/197308130.db2.gz MJQZLOHGHIIZNP-GFCCVEGCSA-N 1 0 310.195 2.434 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)N2CCCOc3ccccc32)cs1 ZINC000158857314 197306242 /nfs/dbraw/zinc/30/62/42/197306242.db2.gz UNIRCEQIVZSZFG-UHFFFAOYSA-N 1 0 324.427 2.185 10 0 DEAERO CCO[C@H](C[NH3+])CC[S@@](=O)c1ccc(Br)cc1 ZINC000158819535 197303969 /nfs/dbraw/zinc/30/39/69/197303969.db2.gz DSBXOIGOAAUQCD-GTNSWQLSSA-N 1 0 320.252 2.311 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000158910182 197310237 /nfs/dbraw/zinc/31/02/37/197310237.db2.gz BJFIUPLYHRBZET-YFKPBYRVSA-N 1 0 312.238 2.075 10 0 DEAERO CC(C)CO[C@H]1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000158618284 197289222 /nfs/dbraw/zinc/28/92/22/197289222.db2.gz YQGKPABRTDSZGN-CVEARBPZSA-N 1 0 313.486 2.419 10 0 DEAERO C[C@H]1C[C@H](Nc2nc(Br)cn3ccnc23)CC[N@@H+]1C ZINC000158595461 197287066 /nfs/dbraw/zinc/28/70/66/197287066.db2.gz PQDWDXQEOCGNBS-VHSXEESVSA-N 1 0 324.226 2.386 10 0 DEAERO CCOC(=O)Cn1c(N)[nH+]c2cc(F)c(Br)cc21 ZINC000158381164 197267678 /nfs/dbraw/zinc/26/76/78/197267678.db2.gz OWWDHJQGDWZQHL-UHFFFAOYSA-N 1 0 316.130 2.083 10 0 DEAERO CC1(C)CC(=O)N(c2ccc(C(F)(F)F)cc2C[NH3+])C1=O ZINC000158345234 197264303 /nfs/dbraw/zinc/26/43/03/197264303.db2.gz WWHZOBYDUCDKPF-UHFFFAOYSA-N 1 0 300.280 2.454 10 0 DEAERO COCCn1ncc(Br)c1[C@@H]([NH3+])c1ccccc1 ZINC000158445467 197272632 /nfs/dbraw/zinc/27/26/32/197272632.db2.gz BUTXEDFXYXSTHF-LBPRGKRZSA-N 1 0 310.195 2.340 10 0 DEAERO Cc1ncsc1CCOC[C@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000158317170 197261391 /nfs/dbraw/zinc/26/13/91/197261391.db2.gz HKOJRVXWXCGGEP-CHWSQXEVSA-N 1 0 300.468 2.396 10 0 DEAERO C[C@H]1OCC[C@H]1[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1N ZINC000158178339 197250200 /nfs/dbraw/zinc/25/02/00/197250200.db2.gz UDFIYVUDGMLDIU-QMTHXVAHSA-N 1 0 311.813 2.360 10 0 DEAERO Cn1ncc(Br)c1[C@H](O)C1([NH+](C)C)CCCCC1 ZINC000157673893 197206427 /nfs/dbraw/zinc/20/64/27/197206427.db2.gz PJBDMLJPKKEUKF-LBPRGKRZSA-N 1 0 316.243 2.481 10 0 DEAERO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC(n2cncn2)CC1 ZINC000157755637 197213180 /nfs/dbraw/zinc/21/31/80/197213180.db2.gz FRSHUXQSLRTFTG-SOUVJXGZSA-N 1 0 319.453 2.093 10 0 DEAERO OC1(COc2cc(F)cc(Br)c2)CC[NH2+]CC1 ZINC000157310928 197178806 /nfs/dbraw/zinc/17/88/06/197178806.db2.gz MSFJGCUOVVDBQF-UHFFFAOYSA-N 1 0 304.159 2.082 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)CCOC(C)C)cc1 ZINC000157293345 197177138 /nfs/dbraw/zinc/17/71/38/197177138.db2.gz LOFWNCICBJWLJL-ZDUSSCGKSA-N 1 0 314.451 2.013 10 0 DEAERO COc1ccc2[nH]cc(C3CCN(C(=O)[C@H](C)[NH3+])CC3)c2c1 ZINC000157222198 197170546 /nfs/dbraw/zinc/17/05/46/197170546.db2.gz SNGWJQKTSJSGNB-NSHDSACASA-N 1 0 301.390 2.230 10 0 DEAERO C[C@H](O)C1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000157191950 197169045 /nfs/dbraw/zinc/16/90/45/197169045.db2.gz RIQCSIIGBZSHQD-ZDUSSCGKSA-N 1 0 311.470 2.052 10 0 DEAERO CCOc1ncccc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000157060530 197158739 /nfs/dbraw/zinc/15/87/39/197158739.db2.gz ITRAMZKLYBQGBW-DZGCQCFKSA-N 1 0 320.437 2.008 10 0 DEAERO C[C@@](O)(Cc1ccc(Br)s1)C[C@@H]1COCC[NH2+]1 ZINC000156804506 197142290 /nfs/dbraw/zinc/14/22/90/197142290.db2.gz NSPDCQQVNNTSJZ-SKDRFNHKSA-N 1 0 320.252 2.183 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000156711117 197135125 /nfs/dbraw/zinc/13/51/25/197135125.db2.gz IJPBADLPISDVGA-UHFFFAOYSA-N 1 0 302.296 2.409 10 0 DEAERO C[C@@H]1CCCCN1CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000156604812 197126688 /nfs/dbraw/zinc/12/66/88/197126688.db2.gz XEUXLPVJJYUVFZ-CYBMUJFWSA-N 1 0 307.404 2.477 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000156546925 197121510 /nfs/dbraw/zinc/12/15/10/197121510.db2.gz GOXZZHPNNQWNIX-GMSGAONNSA-N 1 0 309.719 2.306 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2cccc(F)c2Br)C1 ZINC000156015171 197080832 /nfs/dbraw/zinc/08/08/32/197080832.db2.gz IPPZWOSZJQBRND-BDAKNGLRSA-N 1 0 315.186 2.398 10 0 DEAERO [NH3+]Cc1ccc([C@H](O)C[S@](=O)c2ccc(F)cc2F)cc1 ZINC000155986926 197078201 /nfs/dbraw/zinc/07/82/01/197078201.db2.gz ILJBYTMRMNOHIK-SPLOXXLWSA-N 1 0 311.353 2.265 10 0 DEAERO Cc1ccc(NC(=O)c2nc(C)c(C)[nH]c2=O)c(C[NH+](C)C)c1 ZINC000155932680 197075876 /nfs/dbraw/zinc/07/58/76/197075876.db2.gz DZYLIUKMXKKAGC-UHFFFAOYSA-N 1 0 314.389 2.009 10 0 DEAERO COc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc(OC)c1C ZINC000155608599 197071524 /nfs/dbraw/zinc/07/15/24/197071524.db2.gz ASTUDWJQULQKPZ-WFASDCNBSA-N 1 0 320.433 2.471 10 0 DEAERO Cc1cc2c(n1C[C@H]1CCCS1(=O)=O)CC(C)(C)C[C@H]2[NH3+] ZINC000155462487 197057464 /nfs/dbraw/zinc/05/74/64/197057464.db2.gz LZSFBWXJKOHVTO-TZMCWYRMSA-N 1 0 310.463 2.346 10 0 DEAERO COCCCOc1cccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c1 ZINC000155194140 197031759 /nfs/dbraw/zinc/03/17/59/197031759.db2.gz NNFVVYPYGNGRNE-GASCZTMLSA-N 1 0 320.433 2.267 10 0 DEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1cc(F)c(F)cc1F ZINC000155310510 197042504 /nfs/dbraw/zinc/04/25/04/197042504.db2.gz OUOCFRUUBVSBLC-AOOOYVTPSA-N 1 0 300.324 2.197 10 0 DEAERO COC(=O)Nc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155299969 197041831 /nfs/dbraw/zinc/04/18/31/197041831.db2.gz YKZBUHVVHQPNEV-WFASDCNBSA-N 1 0 319.405 2.323 10 0 DEAERO Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCOC3=O)C2)n1 ZINC000120358158 195150958 /nfs/dbraw/zinc/15/09/58/195150958.db2.gz RTUAEUYUBRRFRT-LSDHHAIUSA-N 1 0 303.406 2.077 10 0 DEAERO COc1cc(C)c(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1OC ZINC000155174363 197029423 /nfs/dbraw/zinc/02/94/23/197029423.db2.gz GRDPAUIOUYISRX-CHWSQXEVSA-N 1 0 306.406 2.177 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3[C@@H](C)C[NH+](C)C[C@@H]3C)cc2)c1 ZINC000155005995 197012868 /nfs/dbraw/zinc/01/28/68/197012868.db2.gz DXHFCPHFKSBGNI-GJZGRUSLSA-N 1 0 312.417 2.345 10 0 DEAERO Cc1nc(CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)sc1C ZINC000120686874 195217329 /nfs/dbraw/zinc/21/73/29/195217329.db2.gz KANMQQKNMCCUPC-CQSZACIVSA-N 1 0 322.478 2.182 10 0 DEAERO CC[C@@H]1CN(Cc2cc(F)c(F)c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000120728779 195225213 /nfs/dbraw/zinc/22/52/13/195225213.db2.gz ONNXXNRQRCLLIG-DGCLKSJQSA-N 1 0 316.367 2.381 10 0 DEAERO C[C@@H](CC(=O)NC[C@@H](O)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000151450660 196682394 /nfs/dbraw/zinc/68/23/94/196682394.db2.gz HPVLFSMNHXLVBN-BLLLJJGKSA-N 1 0 308.397 2.001 10 0 DEAERO CCOC[C@@H]1CC[N@H+](C)C2(CN(Cc3cccnc3OC)C2)C1 ZINC000248145473 257107860 /nfs/dbraw/zinc/10/78/60/257107860.db2.gz RQAGLJMRBPHHQY-OAHLLOKOSA-N 1 0 319.449 2.023 10 0 DEAERO Cc1ccc(C[N@@H+]2C[C@H](C(=O)NC3CC3)C[C@@H]3OCC[C@@H]32)s1 ZINC000248109512 257109242 /nfs/dbraw/zinc/10/92/42/257109242.db2.gz QCXLXHKJXVSOGM-KCXAZCMYSA-N 1 0 320.458 2.315 10 0 DEAERO Cc1ccccc1C[N@H+]1CC[C@@H]2C[C@@H](C(=O)N(C)C)O[C@@H]2C1 ZINC000247999068 257111651 /nfs/dbraw/zinc/11/16/51/257111651.db2.gz NEVOQVPCNHNNTH-HYVNUMGLSA-N 1 0 302.418 2.063 10 0 DEAERO COc1cccc(C[N@@H+]2CCOC[C@@H](CC(=O)N(C)C)[C@@H]2C)c1 ZINC000247973778 257113072 /nfs/dbraw/zinc/11/30/72/257113072.db2.gz IEOZLHBUNINMIT-GOEBONIOSA-N 1 0 320.433 2.010 10 0 DEAERO O=C(NC1CC1)[C@@H]1C[C@H]2CC[N@H+](Cc3cccs3)C[C@@H]2O1 ZINC000247729477 257119723 /nfs/dbraw/zinc/11/97/23/257119723.db2.gz GGWJTQKBYCBWMK-UGFHNGPFSA-N 1 0 306.431 2.006 10 0 DEAERO c1cncc(O[C@@H]2C[N@@H+](CC3CCOCC3)[C@@H]3CCCO[C@@H]23)c1 ZINC000253480803 257105496 /nfs/dbraw/zinc/10/54/96/257105496.db2.gz YYNYXRCJEMAFBW-KZNAEPCWSA-N 1 0 318.417 2.119 10 0 DEAERO O=C(C1CC[NH+](CC2=CCCOC2)CC1)N1CCCCCC1 ZINC000121047724 195286785 /nfs/dbraw/zinc/28/67/85/195286785.db2.gz RVWMWLDZYSPJOU-UHFFFAOYSA-N 1 0 306.450 2.448 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c(C)c1 ZINC000121814167 195353232 /nfs/dbraw/zinc/35/32/32/195353232.db2.gz JWGLTXXKZGBXHJ-OAHLLOKOSA-N 1 0 319.449 2.334 10 0 DEAERO NC(=O)c1ccc(Br)cc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000124478744 195646038 /nfs/dbraw/zinc/64/60/38/195646038.db2.gz DHANEOXPHOWZFM-WDEREUQCSA-N 1 0 312.211 2.230 10 0 DEAERO CCNc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1Cl ZINC000125119428 195713828 /nfs/dbraw/zinc/71/38/28/195713828.db2.gz 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DZWCZLUAAOKALW-CZUORRHYSA-N 1 0 307.413 2.206 10 0 DEAERO O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000261852136 145233754 /nfs/dbraw/zinc/23/37/54/145233754.db2.gz OVDFDZSBIKDZEB-OLZOCXBDSA-N 1 0 323.387 2.049 10 0 DEAERO CCc1ccc(O)c(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000261924559 145242419 /nfs/dbraw/zinc/24/24/19/145242419.db2.gz SBTMGKJBROWVBO-XLWVJDPXSA-N 1 0 318.417 2.426 10 0 DEAERO CCSc1ccc([C@H](C)NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261922519 145242523 /nfs/dbraw/zinc/24/25/23/145242523.db2.gz VEFYKDNZLPWJEK-LBPRGKRZSA-N 1 0 308.447 2.484 10 0 DEAERO COCC[C@@]1(c2nc(Cc3cccc(F)c3)no2)CC[NH2+]C1 ZINC000261923308 145242863 /nfs/dbraw/zinc/24/28/63/145242863.db2.gz BVXPJKNIYMFFNZ-INIZCTEOSA-N 1 0 305.353 2.067 10 0 DEAERO COCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CCCC1 ZINC000261934830 145244008 /nfs/dbraw/zinc/24/40/08/145244008.db2.gz MDAZRTDAYKCUSB-BBWFWOEESA-N 1 0 310.482 2.330 10 0 DEAERO [NH3+]CC1(c2nc(-c3nccc4ccccc43)no2)CCOCC1 ZINC000261937187 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322.371 2.225 10 0 DEAERO COC(=O)c1cccc(CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000262041897 145256380 /nfs/dbraw/zinc/25/63/80/145256380.db2.gz YLQPSEHLGVTDFI-KRWDZBQOSA-N 1 0 311.385 2.015 10 0 DEAERO CC[C@@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@@H]1N1CCOCC1 ZINC000262047918 145256589 /nfs/dbraw/zinc/25/65/89/145256589.db2.gz ZGJZETSYIHOOCF-QAPCUYQASA-N 1 0 315.461 2.197 10 0 DEAERO CC1(C)CN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC[C@H]1[NH3+] ZINC000262055040 145257799 /nfs/dbraw/zinc/25/77/99/145257799.db2.gz RFOYOBDGUHZUCK-OAHLLOKOSA-N 1 0 315.417 2.235 10 0 DEAERO Cc1ccsc1S(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000262087785 145260669 /nfs/dbraw/zinc/26/06/69/145260669.db2.gz UNVKAAOMRNWCOF-UHFFFAOYSA-N 1 0 324.471 2.249 10 0 DEAERO CC1(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC[NH2+]CC1 ZINC000262258325 145272365 /nfs/dbraw/zinc/27/23/65/145272365.db2.gz FWBPOWORVTZOKP-AWEZNQCLSA-N 1 0 308.809 2.149 10 0 DEAERO CC(=O)Nc1cccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000262265192 145272501 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COc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1O ZINC000262456998 145285448 /nfs/dbraw/zinc/28/54/48/145285448.db2.gz UPQIJCXBOALMDR-ZNMIVQPWSA-N 1 0 318.417 2.280 10 0 DEAERO Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262546295 145291839 /nfs/dbraw/zinc/29/18/39/145291839.db2.gz OAISPTDNGOJFAZ-CYBMUJFWSA-N 1 0 317.433 2.175 10 0 DEAERO Cc1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000262553501 145292154 /nfs/dbraw/zinc/29/21/54/145292154.db2.gz SWEWQFFAPASAJS-RLFYNMQTSA-N 1 0 302.418 2.144 10 0 DEAERO O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccccc1C(=O)NC1CC1 ZINC000262555211 145293039 /nfs/dbraw/zinc/29/30/39/145293039.db2.gz TZPAEOARYZIVSI-LBPRGKRZSA-N 1 0 301.390 2.050 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(-n2cccn2)c(Cl)c1)C1C[NH2+]C1 ZINC000262563268 145293417 /nfs/dbraw/zinc/29/34/17/145293417.db2.gz RDILZSDXSNVDKY-SNVBAGLBSA-N 1 0 304.781 2.320 10 0 DEAERO C[C@H](NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000262587094 145295801 /nfs/dbraw/zinc/29/58/01/145295801.db2.gz ZWJPMQRMFMRBNS-ADOMEBDSSA-N 1 0 302.418 2.396 10 0 DEAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(c2cc[nH]n2)CC1 ZINC000262639724 145297583 /nfs/dbraw/zinc/29/75/83/145297583.db2.gz JSLKNRLBVMJXQA-LZWOXQAQSA-N 1 0 302.422 2.036 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cc(OC)nc2ccccc12 ZINC000262708629 145301418 /nfs/dbraw/zinc/30/14/18/145301418.db2.gz OEPHTRKCYGQBLK-BDJLRTHQSA-N 1 0 301.390 2.233 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000262745937 145303018 /nfs/dbraw/zinc/30/30/18/145303018.db2.gz DTXOVJOIKQDJPG-GZMMTYOYSA-N 1 0 323.245 2.270 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000262775105 145304491 /nfs/dbraw/zinc/30/44/91/145304491.db2.gz NILMNYYVFQHEBD-PELKAZGASA-N 1 0 323.245 2.270 10 0 DEAERO O=C(Nc1ccc2c(c1)COC2)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262865959 145308242 /nfs/dbraw/zinc/30/82/42/145308242.db2.gz XBKQWHYRWNHVMM-HNNXBMFYSA-N 1 0 312.373 2.090 10 0 DEAERO COc1ccccc1/C(C)=C/c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263130998 145328501 /nfs/dbraw/zinc/32/85/01/145328501.db2.gz BQUNEUUNXRMHQD-IEZBTEQYSA-N 1 0 314.389 2.215 10 0 DEAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000263203240 145335996 /nfs/dbraw/zinc/33/59/96/145335996.db2.gz JKAVNQODMKJDJF-CABZTGNLSA-N 1 0 308.731 2.029 10 0 DEAERO CC(C)Cc1ccc(Cc2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263203181 145336208 /nfs/dbraw/zinc/33/62/08/145336208.db2.gz JIUDNHSOWMYSQB-INIZCTEOSA-N 1 0 314.433 2.435 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccccc2C(F)(F)F)n1 ZINC000263216153 145337239 /nfs/dbraw/zinc/33/72/39/145337239.db2.gz KXHNQPLVNWUBRU-NSHDSACASA-N 1 0 312.295 2.332 10 0 DEAERO CN(CC(=O)c1cccn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309766941 145350824 /nfs/dbraw/zinc/35/08/24/145350824.db2.gz GPDFWHDUYSBKTB-QGZVFWFLSA-N 1 0 311.429 2.414 10 0 DEAERO O=C(NC[C@H]1CCCSC1)N1CCC[C@@H]1Cn1ccnc1 ZINC000332836554 145389712 /nfs/dbraw/zinc/38/97/12/145389712.db2.gz LQIYJZAAJLBSMS-ZIAGYGMSSA-N 1 0 308.451 2.200 10 0 DEAERO c1ccc(N2CCO[C@H](C[N@@H+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC000565174490 292141085 /nfs/dbraw/zinc/14/10/85/292141085.db2.gz WYWRRLKRWHXHDN-MOPGFXCFSA-N 1 0 316.445 2.394 10 0 DEAERO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(-n3ccnc3)cs2)C1 ZINC000346186348 146033200 /nfs/dbraw/zinc/03/32/00/146033200.db2.gz YPMHRMVBDKSXMT-CQSZACIVSA-N 1 0 318.446 2.234 10 0 DEAERO COC1([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)CCOCC1 ZINC000453132282 292149177 /nfs/dbraw/zinc/14/91/77/292149177.db2.gz YAXQRECAAPHLFR-OLZOCXBDSA-N 1 0 321.421 2.412 10 0 DEAERO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000357056633 147032312 /nfs/dbraw/zinc/03/23/12/147032312.db2.gz SLBXDLLDUJIRKH-ZLDLUXBVSA-N 1 0 306.356 2.421 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NCc2ccc(F)cn2)CC1 ZINC000359134828 147268303 /nfs/dbraw/zinc/26/83/03/147268303.db2.gz QSDIHXWQWCYLCY-UHFFFAOYSA-N 1 0 322.428 2.484 10 0 DEAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000359208658 147282290 /nfs/dbraw/zinc/28/22/90/147282290.db2.gz KAVPHVYDWNRLQL-RPVQJOFSSA-N 1 0 323.481 2.100 10 0 DEAERO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc3cc[nH]c3n2)C[C@@H]1C ZINC000360715632 147373361 /nfs/dbraw/zinc/37/33/61/147373361.db2.gz TWJGJSDPAMOBSU-STQMWFEESA-N 1 0 315.421 2.187 10 0 DEAERO C[NH+](C)CC1CCN(C(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000360714218 147373489 /nfs/dbraw/zinc/37/34/89/147373489.db2.gz OZCHAJPTSPXNJC-UHFFFAOYSA-N 1 0 315.421 2.046 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ncc(C2CC2)o1 ZINC000371183323 148070033 /nfs/dbraw/zinc/07/00/33/148070033.db2.gz ILMCHQUWDCYFLP-ILXRZTDVSA-N 1 0 305.422 2.236 10 0 DEAERO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)c1 ZINC000113306091 292180047 /nfs/dbraw/zinc/18/00/47/292180047.db2.gz CXCJVRJOXBPWMZ-LSDHHAIUSA-N 1 0 308.447 2.161 10 0 DEAERO C[NH+]1CCC(CNC(=O)Nc2cccc3c2OCCC3)CC1 ZINC000372001813 148160206 /nfs/dbraw/zinc/16/02/06/148160206.db2.gz ZLRYSCQPGIJURJ-UHFFFAOYSA-N 1 0 303.406 2.475 10 0 DEAERO c1cn(-c2ccc(C[NH+]3CCC(c4c[nH]cn4)CC3)cn2)cn1 ZINC000374211130 148217869 /nfs/dbraw/zinc/21/78/69/148217869.db2.gz YHVFMHGEVNJQRN-UHFFFAOYSA-N 1 0 308.389 2.370 10 0 DEAERO COCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000374230949 148221226 /nfs/dbraw/zinc/22/12/26/148221226.db2.gz OLNKXLSUAVSEEG-MKXGPGLRSA-N 1 0 318.461 2.169 10 0 DEAERO c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000374271151 148224652 /nfs/dbraw/zinc/22/46/52/148224652.db2.gz NREYEPKDKOYKRF-WMZOPIPTSA-N 1 0 313.401 2.300 10 0 DEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000073717273 401720945 /nfs/dbraw/zinc/72/09/45/401720945.db2.gz ZFOPWBXJVVWICS-OLZOCXBDSA-N 1 0 306.406 2.365 10 0 DEAERO Cc1ccc([C@H](C[NH2+]CC2=CCCOC2)N2CCOCC2)s1 ZINC000127120692 401720938 /nfs/dbraw/zinc/72/09/38/401720938.db2.gz AEYRJWSTVVBPQD-INIZCTEOSA-N 1 0 322.474 2.366 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000127585749 401741193 /nfs/dbraw/zinc/74/11/93/401741193.db2.gz WJMOLTKHDLYCAV-BXUZGUMPSA-N 1 0 323.824 2.220 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000074872242 401745237 /nfs/dbraw/zinc/74/52/37/401745237.db2.gz DWZZGCKBQTYURK-GJZGRUSLSA-N 1 0 307.442 2.006 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ncccn3)CC2)C1(C)C ZINC000126346667 401690097 /nfs/dbraw/zinc/69/00/97/401690097.db2.gz ZGNAXGJLAHIDNK-HUUCEWRRSA-N 1 0 304.438 2.239 10 0 DEAERO C[N@H+](CCNC(=O)[C@@H]1CCCN1c1nccs1)C1CCCC1 ZINC000110719017 401693310 /nfs/dbraw/zinc/69/33/10/401693310.db2.gz NDIHVTKSVHHVEI-AWEZNQCLSA-N 1 0 322.478 2.103 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)C1CCC(CO)CC1 ZINC000126425698 401693677 /nfs/dbraw/zinc/69/36/77/401693677.db2.gz SDNWEHGEFSRXTH-PCKAHOCUSA-N 1 0 313.486 2.155 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ncccn1)c1ccc(F)c(F)c1 ZINC000112516398 401747725 /nfs/dbraw/zinc/74/77/25/401747725.db2.gz FXGHGPKMCMUJSX-ZJUUUORDSA-N 1 0 306.316 2.433 10 0 DEAERO O=C(O[C@@H]1CCC[NH2+]C1)C(O)(c1ccccc1)c1ccccc1 ZINC000002002118 401711721 /nfs/dbraw/zinc/71/17/21/401711721.db2.gz IGXOSKVDCFQEBF-QGZVFWFLSA-N 1 0 311.381 2.218 10 0 DEAERO COc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2cccc(OC)c2)cc1 ZINC000008037283 401747930 /nfs/dbraw/zinc/74/79/30/401747930.db2.gz SHBSZLUARGCWRU-INIZCTEOSA-N 1 0 321.398 2.178 10 0 DEAERO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H]2C[C@H]2C)CC1 ZINC000127036642 401717299 /nfs/dbraw/zinc/71/72/99/401717299.db2.gz IAHBEBXQLVOZEZ-GDBMZVCRSA-N 1 0 311.470 2.175 10 0 DEAERO Cc1ccc(CN(C)CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000114453816 401799818 /nfs/dbraw/zinc/79/98/18/401799818.db2.gz YDMIPOIUTLUVMI-UHFFFAOYSA-N 1 0 307.438 2.009 10 0 DEAERO CCOC[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114503779 401802276 /nfs/dbraw/zinc/80/22/76/401802276.db2.gz ANKYNQFIGXINTK-ZWKOTPCHSA-N 1 0 307.434 2.313 10 0 DEAERO OCC[NH2+]CCCNCc1ccccc1OCc1ccccc1 ZINC000013732754 401803913 /nfs/dbraw/zinc/80/39/13/401803913.db2.gz XDPTVYJRDLCJQM-UHFFFAOYSA-N 1 0 314.429 2.327 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc2c(s1)CCCC2 ZINC000129521309 401805331 /nfs/dbraw/zinc/80/53/31/401805331.db2.gz QQOLLIHLEPCOTJ-ZYHUDNBSSA-N 1 0 306.431 2.425 10 0 DEAERO Cc1ccc(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)s1 ZINC000127927444 401756140 /nfs/dbraw/zinc/75/61/40/401756140.db2.gz MCLFIKUFWJMIPK-UHFFFAOYSA-N 1 0 306.435 2.456 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000128012359 401759083 /nfs/dbraw/zinc/75/90/83/401759083.db2.gz RLWYSHPGZSWZJJ-LJQANCHMSA-N 1 0 315.461 2.280 10 0 DEAERO COc1ccccc1NCC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000112881649 401760758 /nfs/dbraw/zinc/76/07/58/401760758.db2.gz CUVBJBRENNLXSS-AWEZNQCLSA-N 1 0 307.438 2.200 10 0 DEAERO CC[NH+](CC)CCNC(=O)N(C)CCOc1ccc(C)cc1 ZINC000075529299 401762062 /nfs/dbraw/zinc/76/20/62/401762062.db2.gz JZYRSGGGXRQSNF-UHFFFAOYSA-N 1 0 307.438 2.357 10 0 DEAERO CCOc1ccc(OCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113226721 401770322 /nfs/dbraw/zinc/77/03/22/401770322.db2.gz LQXBLINQKUDDMU-GJZGRUSLSA-N 1 0 318.417 2.159 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(-c2cccnc2)on1 ZINC000113226093 401770862 /nfs/dbraw/zinc/77/08/62/401770862.db2.gz QVNQTKMGCLSMDY-TZMCWYRMSA-N 1 0 312.373 2.045 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc(Cl)cc1 ZINC000113226760 401770880 /nfs/dbraw/zinc/77/08/80/401770880.db2.gz OCFZSKLGRPSHEB-TZMCWYRMSA-N 1 0 308.809 2.414 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCc1ccccn1 ZINC000113232835 401771435 /nfs/dbraw/zinc/77/14/35/401771435.db2.gz OYYNWSDIDCNWNO-DZGCQCFKSA-N 1 0 305.447 2.010 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(F)c(F)c1 ZINC000113270503 401773724 /nfs/dbraw/zinc/77/37/24/401773724.db2.gz KZTFBMJTZQSBOI-DGCLKSJQSA-N 1 0 309.360 2.072 10 0 DEAERO CCc1ccc(NC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113269390 401774012 /nfs/dbraw/zinc/77/40/12/401774012.db2.gz MOKIBGGYFOAKGU-YOEHRIQHSA-N 1 0 301.434 2.356 10 0 DEAERO CCC[NH+]1CCC(CNS(=O)(=O)CC(CC)CC)CC1 ZINC000113285659 401775135 /nfs/dbraw/zinc/77/51/35/401775135.db2.gz BPZSOBHEGLBTPW-UHFFFAOYSA-N 1 0 304.500 2.464 10 0 DEAERO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128510664 401780061 /nfs/dbraw/zinc/78/00/61/401780061.db2.gz IJGPTBQBQJJMQV-IIDMSEBBSA-N 1 0 308.466 2.451 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(O)c2)[C@H](C)C1 ZINC000128556627 401782592 /nfs/dbraw/zinc/78/25/92/401782592.db2.gz LZZXOZCNOCPCAR-CJNGLKHVSA-N 1 0 305.422 2.264 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000128590901 401784384 /nfs/dbraw/zinc/78/43/84/401784384.db2.gz KVUXDLXVEZFLFD-MRXNPFEDSA-N 1 0 312.417 2.037 10 0 DEAERO CCC[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000076145514 401784860 /nfs/dbraw/zinc/78/48/60/401784860.db2.gz ARUHFQGDSWHZMM-KSSFIOAISA-N 1 0 323.481 2.014 10 0 DEAERO CC[C@H]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000077547728 401819964 /nfs/dbraw/zinc/81/99/64/401819964.db2.gz KVTDYEONCXWTKM-JKSUJKDBSA-N 1 0 311.470 2.367 10 0 DEAERO CC[N@H+](CC(=O)N(C)Cc1cnn(-c2ccccc2)c1)C1CC1 ZINC000130220546 401823527 /nfs/dbraw/zinc/82/35/27/401823527.db2.gz MHFUSRVRMMTNJZ-UHFFFAOYSA-N 1 0 312.417 2.315 10 0 DEAERO COc1cccc(N2CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC000117270133 401870890 /nfs/dbraw/zinc/87/08/90/401870890.db2.gz WWCBDOOTIZECDA-OAHLLOKOSA-N 1 0 319.449 2.120 10 0 DEAERO CSC[C@@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000077666125 401824207 /nfs/dbraw/zinc/82/42/07/401824207.db2.gz CBDYVHZQVZCESZ-LLVKDONJSA-N 1 0 313.442 2.438 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](CC(=O)NCCC3=CCCCC3)C2)cn1 ZINC000116322083 401849920 /nfs/dbraw/zinc/84/99/20/401849920.db2.gz HPRSBIYTXVGBSO-MRXNPFEDSA-N 1 0 316.449 2.216 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc([S@](C)=O)cc1 ZINC000078615033 401858552 /nfs/dbraw/zinc/85/85/52/401858552.db2.gz BFSBZIWQAMLUFI-SPLOXXLWSA-N 1 0 310.463 2.130 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(C(=O)OC)cc1 ZINC000031099295 401868343 /nfs/dbraw/zinc/86/83/43/401868343.db2.gz KSGJEXBISARGTF-CYBMUJFWSA-N 1 0 321.421 2.003 10 0 DEAERO C[C@H]1CC[C@@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)O1 ZINC000129961510 401813120 /nfs/dbraw/zinc/81/31/20/401813120.db2.gz UKAYDBXVLHJPDW-YOEHRIQHSA-N 1 0 302.418 2.119 10 0 DEAERO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000129960724 401813181 /nfs/dbraw/zinc/81/31/81/401813181.db2.gz MMQWMZOVMQCBMH-LBPRGKRZSA-N 1 0 321.421 2.221 10 0 DEAERO CC[NH2+]CC[C@H]1CCC(=O)N1C[C@H]1CCc2ccccc2O1 ZINC000014881164 401813879 /nfs/dbraw/zinc/81/38/79/401813879.db2.gz GOPOSVNTLXCAQN-HZPDHXFCSA-N 1 0 302.418 2.371 10 0 DEAERO CC[C@H]1CN(C(=O)c2cc(C)n(CC)c2C)CC[N@@H+]1CCOC ZINC000117299626 401873484 /nfs/dbraw/zinc/87/34/84/401873484.db2.gz RFIUEEOKKORYRR-INIZCTEOSA-N 1 0 321.465 2.308 10 0 DEAERO CC[C@H]1CN(C(=O)Cc2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC000117308495 401874387 /nfs/dbraw/zinc/87/43/87/401874387.db2.gz WYVSTJBNCVDEGK-INIZCTEOSA-N 1 0 324.852 2.452 10 0 DEAERO CC[C@H]1CN(C(=O)N[C@@H](C)c2ccccc2)CC[N@@H+]1CCOC ZINC000117468616 401877899 /nfs/dbraw/zinc/87/78/99/401877899.db2.gz SELVIQLUWMNYLO-RDJZCZTQSA-N 1 0 319.449 2.500 10 0 DEAERO C[C@@H](Oc1cccnc1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000117657754 401881582 /nfs/dbraw/zinc/88/15/82/401881582.db2.gz ZJAKWAPNXCOEBL-HZPDHXFCSA-N 1 0 317.433 2.326 10 0 DEAERO C[C@H]1c2ccccc2O[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000117748514 401882849 /nfs/dbraw/zinc/88/28/49/401882849.db2.gz DRKHUOHUTAFTIJ-SJCJKPOMSA-N 1 0 300.402 2.294 10 0 DEAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000079922021 401883785 /nfs/dbraw/zinc/88/37/85/401883785.db2.gz QDUDXNCGICNGED-XJKSGUPXSA-N 1 0 320.433 2.431 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC000117783718 401884420 /nfs/dbraw/zinc/88/44/20/401884420.db2.gz INTXIWWGELFYIH-HUUCEWRRSA-N 1 0 302.418 2.495 10 0 DEAERO C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000081329981 401894885 /nfs/dbraw/zinc/89/48/85/401894885.db2.gz KYGIWCHVVZYMBM-YOEHRIQHSA-N 1 0 302.418 2.317 10 0 DEAERO CC(=O)NCCCN1CCc2cccc(Br)c2C1 ZINC000118410841 401897498 /nfs/dbraw/zinc/89/74/98/401897498.db2.gz MUEXWRLZLXBIGC-UHFFFAOYSA-N 1 0 311.223 2.333 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)s1 ZINC000134005897 401897591 /nfs/dbraw/zinc/89/75/91/401897591.db2.gz NWZUXJJMRHIBCW-FZMZJTMJSA-N 1 0 316.492 2.496 10 0 DEAERO CCN(CC)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000036091027 401902122 /nfs/dbraw/zinc/90/21/22/401902122.db2.gz JBICCEYNDYXTSC-AWEZNQCLSA-N 1 0 323.437 2.358 10 0 DEAERO COCC[N@@H+](Cc1ccsc1)C[C@@H](O)COC(C)(C)C ZINC000036099275 401902681 /nfs/dbraw/zinc/90/26/81/401902681.db2.gz VPVKHJDPTOQEKG-CQSZACIVSA-N 1 0 301.452 2.373 10 0 DEAERO CC[C@@H](C(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1)[NH+](C)C ZINC000134798517 401914942 /nfs/dbraw/zinc/91/49/42/401914942.db2.gz OMGTUYVNUBIPHF-HOTGVXAUSA-N 1 0 308.397 2.374 10 0 DEAERO CC(=O)NCCC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134832121 401916516 /nfs/dbraw/zinc/91/65/16/401916516.db2.gz FSTUASOGHDMLSO-MRXNPFEDSA-N 1 0 306.381 2.389 10 0 DEAERO COCc1csc(NC(=O)N(CC[NH+](C)C)CC(C)C)n1 ZINC000085614687 401917804 /nfs/dbraw/zinc/91/78/04/401917804.db2.gz KMQMCJFFHHZQAG-UHFFFAOYSA-N 1 0 314.455 2.341 10 0 DEAERO CC(C)c1ncc(Cl)c(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)n1 ZINC000089710344 401958647 /nfs/dbraw/zinc/95/86/47/401958647.db2.gz SZSZJVMYBCLQEJ-PWSUYJOCSA-N 1 0 310.829 2.276 10 0 DEAERO CN(CC(=O)NC(C)(C)C)Cc1c[nH]nc1-c1ccccc1 ZINC000120661731 401997752 /nfs/dbraw/zinc/99/77/52/401997752.db2.gz DADUNINKHGMONI-UHFFFAOYSA-N 1 0 300.406 2.423 10 0 DEAERO COc1ccc(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)cc1 ZINC000045915387 401963135 /nfs/dbraw/zinc/96/31/35/401963135.db2.gz GOMIZHJTASNPJM-UHFFFAOYSA-N 1 0 316.405 2.095 10 0 DEAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000136381111 401966898 /nfs/dbraw/zinc/96/68/98/401966898.db2.gz BGHXTLRGSHJEEH-JSGCOSHPSA-N 1 0 302.418 2.486 10 0 DEAERO CCC[N@H+](CCO)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000046342909 401968872 /nfs/dbraw/zinc/96/88/72/401968872.db2.gz XEPNUKTWGNSOSL-NSHDSACASA-N 1 0 322.232 2.437 10 0 DEAERO CCOc1cc(Cl)ccc1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000090772391 401987270 /nfs/dbraw/zinc/98/72/70/401987270.db2.gz WUVJRMCOSKZQAB-UHFFFAOYSA-N 1 0 311.813 2.371 10 0 DEAERO Cc1nn(C)c(C)c1-c1ccnc(N[C@@H]2CCC[N@H+](C)C2)n1 ZINC000048159275 401995081 /nfs/dbraw/zinc/99/50/81/401995081.db2.gz IGIXQMKIHJAWSU-CYBMUJFWSA-N 1 0 300.410 2.000 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2ncc(-c3ccccc3F)o2)CCO1 ZINC000119299093 401939419 /nfs/dbraw/zinc/93/94/19/401939419.db2.gz AOPCEURVARQEAK-ZDUSSCGKSA-N 1 0 319.380 2.243 10 0 DEAERO CCc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)s1 ZINC000049044862 402011095 /nfs/dbraw/zinc/01/10/95/402011095.db2.gz AMFXPZATIWZJCZ-ZDUSSCGKSA-N 1 0 310.444 2.289 10 0 DEAERO C[C@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)O1 ZINC000151040386 402012586 /nfs/dbraw/zinc/01/25/86/402012586.db2.gz RSQAIOMPUQTQJP-BBRMVZONSA-N 1 0 308.397 2.283 10 0 DEAERO COc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000151256019 402026209 /nfs/dbraw/zinc/02/62/09/402026209.db2.gz WFFXYGMDUUHWFR-ZIAGYGMSSA-N 1 0 310.413 2.332 10 0 DEAERO CC(C)(C)n1cc(CN2CC[NH+](CC3=CCCOC3)CC2)cn1 ZINC000121490294 402039793 /nfs/dbraw/zinc/03/97/93/402039793.db2.gz LTGZBASJEMRGAH-UHFFFAOYSA-N 1 0 318.465 2.102 10 0 DEAERO CCOc1ccnc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC000121500450 402040597 /nfs/dbraw/zinc/04/05/97/402040597.db2.gz LLNWWMOFVBDVLE-OAHLLOKOSA-N 1 0 302.422 2.354 10 0 DEAERO Cc1cccc(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000052553727 402043958 /nfs/dbraw/zinc/04/39/58/402043958.db2.gz LCEYPRKPKPQSGL-CQSZACIVSA-N 1 0 304.438 2.311 10 0 DEAERO Fc1ccc2oc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)nc2c1 ZINC000151686834 402051018 /nfs/dbraw/zinc/05/10/18/402051018.db2.gz VCJUYKJPRSBQLP-ZDUSSCGKSA-N 1 0 319.380 2.121 10 0 DEAERO COc1cccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000150851621 401999920 /nfs/dbraw/zinc/99/99/20/401999920.db2.gz PMPGYJQLGLIMJI-BBRMVZONSA-N 1 0 305.422 2.223 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3ccncc3)on2)CC[N@@H+]1C ZINC000123284049 402119855 /nfs/dbraw/zinc/11/98/55/402119855.db2.gz KNYIGTODTSMFSY-JSGCOSHPSA-N 1 0 314.389 2.291 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)NCC(C)(C)C2CCCC2)CCO1 ZINC000152010051 402070878 /nfs/dbraw/zinc/07/08/78/402070878.db2.gz CQXKOIGQCITQFR-HNNXBMFYSA-N 1 0 311.470 2.175 10 0 DEAERO Cc1nc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)no1 ZINC000123046382 402107580 /nfs/dbraw/zinc/10/75/80/402107580.db2.gz HCWPJJVDPBRXJA-HNNXBMFYSA-N 1 0 314.389 2.163 10 0 DEAERO O=C(NCCc1cccc(F)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061855493 402108984 /nfs/dbraw/zinc/10/89/84/402108984.db2.gz HOQGIUHNKDATMH-UHFFFAOYSA-N 1 0 305.397 2.248 10 0 DEAERO C[C@H]1CN(C2CC[NH+](CCCOCC(F)(F)F)CC2)CCO1 ZINC000097153453 402112251 /nfs/dbraw/zinc/11/22/51/402112251.db2.gz BBSYSUQPEBWIKA-ZDUSSCGKSA-N 1 0 324.387 2.141 10 0 DEAERO CC(=O)c1cccc(OCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123131776 402112302 /nfs/dbraw/zinc/11/23/02/402112302.db2.gz ZUGDTIGDQPWBFP-CJNGLKHVSA-N 1 0 318.417 2.209 10 0 DEAERO COc1ccccc1OCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123143916 402112527 /nfs/dbraw/zinc/11/25/27/402112527.db2.gz FPGWNHCAFYSTPK-LSDHHAIUSA-N 1 0 320.433 2.405 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123265418 402118951 /nfs/dbraw/zinc/11/89/51/402118951.db2.gz OGICMNJKIHYKKL-DOTOQJQBSA-N 1 0 303.450 2.060 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc(F)c(Cl)cc2F)CCO1 ZINC000122195254 402065835 /nfs/dbraw/zinc/06/58/35/402065835.db2.gz PBIDBKNOLUUZLY-VIFPVBQESA-N 1 0 318.751 2.021 10 0 DEAERO COc1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123684077 402141276 /nfs/dbraw/zinc/14/12/76/402141276.db2.gz OLERKUBGKOKTCZ-ZFWWWQNUSA-N 1 0 305.422 2.048 10 0 DEAERO C[N@@H+]1CCO[C@H]2CN(c3cc4ccccc4c(Cl)n3)C[C@@H]21 ZINC000153181329 402131855 /nfs/dbraw/zinc/13/18/55/402131855.db2.gz MFTZQEIHKKNVRO-KBPBESRZSA-N 1 0 303.793 2.407 10 0 DEAERO Cc1cc(F)cc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000153202970 402132772 /nfs/dbraw/zinc/13/27/72/402132772.db2.gz WGGQXLDJVXFXSP-OAHLLOKOSA-N 1 0 323.412 2.165 10 0 DEAERO C[C@H]([NH2+]CCc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000123695037 402141782 /nfs/dbraw/zinc/14/17/82/402141782.db2.gz VNYCYXUBYXMILQ-LBPRGKRZSA-N 1 0 322.405 2.366 10 0 DEAERO O=C(CC[N@@H+]1CCC[C@H](n2cncn2)C1)NCC1CCCCC1 ZINC000066874533 402145269 /nfs/dbraw/zinc/14/52/69/402145269.db2.gz ZDZXLRXLJNSQDH-INIZCTEOSA-N 1 0 319.453 2.002 10 0 DEAERO CC(C)[C@@H](CNC(=O)N[C@H](C)[C@@H](C)CO)[NH+]1CCC(C)CC1 ZINC000153462937 402147072 /nfs/dbraw/zinc/14/70/72/402147072.db2.gz WVTFVCGYHADHBJ-ARFHVFGLSA-N 1 0 313.486 2.059 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccc(C)cc1OCCOC)[NH+](C)C ZINC000153565449 402152978 /nfs/dbraw/zinc/15/29/78/402152978.db2.gz SSFXNOUUNIXTED-INIZCTEOSA-N 1 0 322.449 2.367 10 0 DEAERO CCn1c2cccc(F)c2nc1CN1CCC[C@@H]1C(=O)N(C)C ZINC000103139363 402179597 /nfs/dbraw/zinc/17/95/97/402179597.db2.gz FJMGJFDJPTWDQY-CQSZACIVSA-N 1 0 318.396 2.248 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCOc1cccc(C=O)c1 ZINC000068279515 402190441 /nfs/dbraw/zinc/19/04/41/402190441.db2.gz WCYJIIFDQZKJKO-HNNXBMFYSA-N 1 0 318.417 2.259 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc2nccn2c1 ZINC000068291964 402191666 /nfs/dbraw/zinc/19/16/66/402191666.db2.gz JGSVYAUYXMDMJF-KRWDZBQOSA-N 1 0 322.412 2.237 10 0 DEAERO CCCC1(CNC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000154149116 402195383 /nfs/dbraw/zinc/19/53/83/402195383.db2.gz JFACDBMNZGHPRJ-HNNXBMFYSA-N 1 0 323.481 2.461 10 0 DEAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCCN2C(=O)CNC2=O)o1 ZINC000124830749 402199195 /nfs/dbraw/zinc/19/91/95/402199195.db2.gz GYTRWCLYSFPMTQ-AWEZNQCLSA-N 1 0 319.405 2.311 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)CSCc2cccnc2)CC[N@@H+]1C ZINC000124119543 402165196 /nfs/dbraw/zinc/16/51/96/402165196.db2.gz AXYGFJVLXWFADC-DZGCQCFKSA-N 1 0 307.463 2.256 10 0 DEAERO COc1cc([C@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)ccc1F ZINC000154271610 402202781 /nfs/dbraw/zinc/20/27/81/402202781.db2.gz VEKDUUCUAZZDEF-MNOVXSKESA-N 1 0 303.399 2.308 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1(CCOC)CCC1 ZINC000124298464 402174043 /nfs/dbraw/zinc/17/40/43/402174043.db2.gz OBJDVEAYOHKYLR-HNNXBMFYSA-N 1 0 311.470 2.319 10 0 DEAERO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCCn1ccnc1)c1ccccc1 ZINC000124319215 402174586 /nfs/dbraw/zinc/17/45/86/402174586.db2.gz ZDMATJKRADKLBF-HZPDHXFCSA-N 1 0 314.433 2.471 10 0 DEAERO CN(CCC1CCOCC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000154455041 402213423 /nfs/dbraw/zinc/21/34/23/402213423.db2.gz PXSYZLYCVASNBF-SFHVURJKSA-N 1 0 318.461 2.434 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccncc1Br ZINC000154631044 402222104 /nfs/dbraw/zinc/22/21/04/402222104.db2.gz IOEGELOMLMLJAE-JTQLQIEISA-N 1 0 314.227 2.304 10 0 DEAERO CCCOc1cccc(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000154785761 402231593 /nfs/dbraw/zinc/23/15/93/402231593.db2.gz UARPGLZBZGJHCI-MRXNPFEDSA-N 1 0 319.449 2.363 10 0 DEAERO CCCn1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cn1 ZINC000154824831 402234643 /nfs/dbraw/zinc/23/46/43/402234643.db2.gz SCLFLGVVSTWCLD-MRXNPFEDSA-N 1 0 304.438 2.031 10 0 DEAERO COC(=O)[C@H]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000107820367 402241357 /nfs/dbraw/zinc/24/13/57/402241357.db2.gz MOVLQKBHRVTVSY-NSHDSACASA-N 1 0 311.765 2.106 10 0 DEAERO COc1ccccc1OCCC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155021907 402241979 /nfs/dbraw/zinc/24/19/79/402241979.db2.gz BNJZFTIOCXQRCN-KBPBESRZSA-N 1 0 306.406 2.015 10 0 DEAERO Cc1nnc(-c2ccc(C(=O)N3[C@H](C)C[NH+](C)C[C@H]3C)cc2)o1 ZINC000155681933 402264717 /nfs/dbraw/zinc/26/47/17/402264717.db2.gz YEKXGNZAJRVXOK-VXGBXAGGSA-N 1 0 314.389 2.210 10 0 DEAERO OCC[C@@]1(C[NH2+][C@@H]2CSCCc3ccccc32)CCOC1 ZINC000125742613 402248032 /nfs/dbraw/zinc/24/80/32/402248032.db2.gz GYKYPOTVDOQDGH-SJORKVTESA-N 1 0 307.459 2.396 10 0 DEAERO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)nn1-c1ccccc1 ZINC000108333965 402250441 /nfs/dbraw/zinc/25/04/41/402250441.db2.gz FXYYNYYOSTUCCE-OAHLLOKOSA-N 1 0 312.417 2.252 10 0 DEAERO CCc1noc(C)c1NC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000155321295 402252469 /nfs/dbraw/zinc/25/24/69/402252469.db2.gz GSBPEEPBEDLAOZ-UHFFFAOYSA-N 1 0 324.425 2.168 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CSCc1cscn1 ZINC000125926881 402257092 /nfs/dbraw/zinc/25/70/92/402257092.db2.gz COMHVFIGETWDRK-GFCCVEGCSA-N 1 0 313.492 2.367 10 0 DEAERO CCc1c(C)nc(-c2cnccn2)nc1NC[C@H]1CCC[NH2+]C1 ZINC000070456320 402260449 /nfs/dbraw/zinc/26/04/49/402260449.db2.gz DPIUDONXGCIVJH-ZDUSSCGKSA-N 1 0 312.421 2.216 10 0 DEAERO CC(C)(C)c1noc(-c2cccnc2N2CCC([NH3+])CC2)n1 ZINC000070457993 402261001 /nfs/dbraw/zinc/26/10/01/402261001.db2.gz QDVOEIFRFPWMOD-UHFFFAOYSA-N 1 0 301.394 2.357 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2noc3c2CCCCC3)CC[N@@H+]1C ZINC000154338805 402207193 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CC[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1nccs1 ZINC000156677426 402287188 /nfs/dbraw/zinc/28/71/88/402287188.db2.gz AJAOBFPZCSDSRA-DGCLKSJQSA-N 1 0 308.451 2.378 10 0 DEAERO Cc1ccc(C[C@H](C)[N@H+](C)Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC000156833285 402289178 /nfs/dbraw/zinc/28/91/78/402289178.db2.gz DPKTWHJTJNSHDV-AWEZNQCLSA-N 1 0 310.401 2.394 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000176244347 402293923 /nfs/dbraw/zinc/29/39/23/402293923.db2.gz RFRAWXXBKMFVQC-CQSZACIVSA-N 1 0 319.405 2.406 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OCCCOC)cc2)C1 ZINC000176268238 402295751 /nfs/dbraw/zinc/29/57/51/402295751.db2.gz DQMAUOYXWUBVST-MRXNPFEDSA-N 1 0 320.433 2.316 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cnc(C(F)(F)F)nc2)CC[N@@H+]1C ZINC000157554950 402295947 /nfs/dbraw/zinc/29/59/47/402295947.db2.gz NDTTZYQAIGFJDM-KOLCDFICSA-N 1 0 316.327 2.050 10 0 DEAERO Cc1cnc(CC[N@@H+](C)Cc2cc(=O)n3ccccc3n2)s1 ZINC000157729600 402298216 /nfs/dbraw/zinc/29/82/16/402298216.db2.gz SFGYZOWBTKTNLZ-UHFFFAOYSA-N 1 0 314.414 2.134 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000176367551 402303925 /nfs/dbraw/zinc/30/39/25/402303925.db2.gz GFQGNWAJYBCTOT-CQSZACIVSA-N 1 0 319.405 2.041 10 0 DEAERO CC[NH+](CC)CC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176406989 402306438 /nfs/dbraw/zinc/30/64/38/402306438.db2.gz JDQZYWWCOVMYBL-CQSZACIVSA-N 1 0 319.453 2.010 10 0 DEAERO C[C@@H](NC(=O)N(C)CC[NH+](C)C)c1cccc(-n2ccnc2)c1 ZINC000176425483 402307960 /nfs/dbraw/zinc/30/79/60/402307960.db2.gz JKUCKEPTHDQJEG-CQSZACIVSA-N 1 0 315.421 2.136 10 0 DEAERO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC(=O)NC(N)=O ZINC000184960400 402312837 /nfs/dbraw/zinc/31/28/37/402312837.db2.gz MZLSMAPXMOAYKO-CYBMUJFWSA-N 1 0 317.414 2.125 10 0 DEAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ncncc2Cl)C1 ZINC000176543767 402318559 /nfs/dbraw/zinc/31/85/59/402318559.db2.gz NDHBUCDVIDSIGO-GFCCVEGCSA-N 1 0 310.829 2.372 10 0 DEAERO COc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)on1 ZINC000159207293 402319194 /nfs/dbraw/zinc/31/91/94/402319194.db2.gz ORBBBZHODNGXBD-UHFFFAOYSA-N 1 0 315.373 2.209 10 0 DEAERO Cn1cc(-c2cc(C[N@H+](C)CCc3nccs3)on2)cn1 ZINC000185042022 402319796 /nfs/dbraw/zinc/31/97/96/402319796.db2.gz GGLSSHMGAIDMLZ-UHFFFAOYSA-N 1 0 303.391 2.206 10 0 DEAERO COc1ccc(NC(=O)CC[N@H+](C)[C@H](CO)CC(C)C)cc1 ZINC000185328399 402343780 /nfs/dbraw/zinc/34/37/80/402343780.db2.gz CIXZFZJRWZIQOI-HNNXBMFYSA-N 1 0 308.422 2.363 10 0 DEAERO Cc1ccc(CC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000176869116 402344877 /nfs/dbraw/zinc/34/48/77/402344877.db2.gz LHIQLEIFAJUDAG-INIZCTEOSA-N 1 0 318.461 2.089 10 0 DEAERO CC[C@H]1CN(C(=O)[C@@H](C)COC)CC[N@@H+]1Cc1ccccc1 ZINC000185341249 402345081 /nfs/dbraw/zinc/34/50/81/402345081.db2.gz KAFKZQNKGVPLCU-RDJZCZTQSA-N 1 0 304.434 2.392 10 0 DEAERO Cc1ccccc1Cc1noc(CN2CCC([NH+](C)C)CC2)n1 ZINC000176890239 402347088 /nfs/dbraw/zinc/34/70/88/402347088.db2.gz IGKGHMGCJLEXAV-UHFFFAOYSA-N 1 0 314.433 2.495 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000176900820 402348371 /nfs/dbraw/zinc/34/83/71/402348371.db2.gz VNGAKMUYOVZFAD-AWEZNQCLSA-N 1 0 321.396 2.015 10 0 DEAERO CC[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Oc1ccccc1C ZINC000176912116 402349077 /nfs/dbraw/zinc/34/90/77/402349077.db2.gz BOIVJPTZFVGHIJ-HOTGVXAUSA-N 1 0 319.449 2.498 10 0 DEAERO COC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC000185897475 402387543 /nfs/dbraw/zinc/38/75/43/402387543.db2.gz MKYRSROJPTURKX-GJZGRUSLSA-N 1 0 311.470 2.460 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H]1c2ccccc2NC1=O ZINC000177000915 402358180 /nfs/dbraw/zinc/35/81/80/402358180.db2.gz JOGVCEWJAIKGFZ-UKRRQHHQSA-N 1 0 315.417 2.055 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)s1 ZINC000234188069 402359706 /nfs/dbraw/zinc/35/97/06/402359706.db2.gz JPMFNCXYTYGLQD-GFCCVEGCSA-N 1 0 302.465 2.106 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)COCCOc1ccccc1 ZINC000177040410 402363132 /nfs/dbraw/zinc/36/31/32/402363132.db2.gz FRDVADUBNCRROD-MRXNPFEDSA-N 1 0 320.433 2.025 10 0 DEAERO Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000177061252 402365620 /nfs/dbraw/zinc/36/56/20/402365620.db2.gz RYPPIMZHDPERCW-KZNAEPCWSA-N 1 0 320.477 2.458 10 0 DEAERO COc1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc(OC)c1 ZINC000177091516 402368613 /nfs/dbraw/zinc/36/86/13/402368613.db2.gz ZQRDLXSFLYXKTQ-GXTWGEPZSA-N 1 0 319.405 2.404 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCOc1ccccc1 ZINC000177296352 402388932 /nfs/dbraw/zinc/38/89/32/402388932.db2.gz XOHIAYXIDANESF-HNNXBMFYSA-N 1 0 305.422 2.191 10 0 DEAERO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000177254770 402385646 /nfs/dbraw/zinc/38/56/46/402385646.db2.gz FAOGBDUQVMACQJ-AWEZNQCLSA-N 1 0 300.406 2.391 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000176681766 402328045 /nfs/dbraw/zinc/32/80/45/402328045.db2.gz NLYZWYQRIDYRPW-YCPHGPKFSA-N 1 0 319.453 2.027 10 0 DEAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccccc1Cl ZINC000226463388 402328519 /nfs/dbraw/zinc/32/85/19/402328519.db2.gz PLJKOYFLGSPOFK-NSHDSACASA-N 1 0 302.827 2.103 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)N2CC[C@H](C[NH+](C)C)C2)s1 ZINC000176691057 402328638 /nfs/dbraw/zinc/32/86/38/402328638.db2.gz NGIGPDBVXQUIKV-NWDGAFQWSA-N 1 0 311.451 2.183 10 0 DEAERO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1c(F)cccc1Cl ZINC000185226052 402336477 /nfs/dbraw/zinc/33/64/77/402336477.db2.gz NSYXIQMFUUPLSN-UHFFFAOYSA-N 1 0 320.817 2.194 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185227614 402336885 /nfs/dbraw/zinc/33/68/85/402336885.db2.gz YYBWYIHUPRCYBH-UHFFFAOYSA-N 1 0 316.854 2.363 10 0 DEAERO COC(=O)c1sccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000161776080 402398411 /nfs/dbraw/zinc/39/84/11/402398411.db2.gz XDHKDCZBOFPULG-NSHDSACASA-N 1 0 323.418 2.237 10 0 DEAERO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC000177989074 402449504 /nfs/dbraw/zinc/44/95/04/402449504.db2.gz JHJOBOWAYHDRJL-CRAIPNDOSA-N 1 0 304.434 2.269 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCOc1ccccc1C ZINC000177421888 402400747 /nfs/dbraw/zinc/40/07/47/402400747.db2.gz YIJRNQDSPXFOLI-INIZCTEOSA-N 1 0 319.449 2.500 10 0 DEAERO C[NH2+]C[C@H](C)C(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000237301809 402403582 /nfs/dbraw/zinc/40/35/82/402403582.db2.gz AKDMQGHDJVZDRW-KBPBESRZSA-N 1 0 323.868 2.401 10 0 DEAERO O[C@H](COC1CCOCC1)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186152893 402406203 /nfs/dbraw/zinc/40/62/03/402406203.db2.gz FJEYARDVRGABEF-INIZCTEOSA-N 1 0 317.429 2.090 10 0 DEAERO CCC[C@H](C(=O)NCCOc1ccc(F)c(F)c1)[NH+](C)C ZINC000162033818 402407176 /nfs/dbraw/zinc/40/71/76/402407176.db2.gz MYUSHQQXFRTNIR-CQSZACIVSA-N 1 0 300.349 2.190 10 0 DEAERO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000162043871 402407594 /nfs/dbraw/zinc/40/75/94/402407594.db2.gz WAILWTFDPVZZSU-CABCVRRESA-N 1 0 315.454 2.218 10 0 DEAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC([NH3+])CC1 ZINC000237479118 402409476 /nfs/dbraw/zinc/40/94/76/402409476.db2.gz CZUPHQNVRFAHCT-OAHLLOKOSA-N 1 0 315.461 2.237 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186212392 402410561 /nfs/dbraw/zinc/41/05/61/402410561.db2.gz ROHZLBCPHPRJGP-OAGGEKHMSA-N 1 0 309.454 2.070 10 0 DEAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1noc(-c2ccccc2)n1 ZINC000237526343 402411527 /nfs/dbraw/zinc/41/15/27/402411527.db2.gz JCWLWJMEKQYNES-DRZSPHRISA-N 1 0 300.362 2.041 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(CNC(=O)OC)cc1)[NH+](C)C ZINC000162188876 402412459 /nfs/dbraw/zinc/41/24/59/402412459.db2.gz SFSMFFUSTAYQOD-CQSZACIVSA-N 1 0 307.394 2.211 10 0 DEAERO C[C@H]1CCC[C@H](CCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000237693142 402418456 /nfs/dbraw/zinc/41/84/56/402418456.db2.gz OZWFJKZOTBMEQX-UONOGXRCSA-N 1 0 319.453 2.149 10 0 DEAERO Cn1c(CCCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)nc2ccccc21 ZINC000237729538 402419747 /nfs/dbraw/zinc/41/97/47/402419747.db2.gz LTNQLKPXQCFFHG-UONOGXRCSA-N 1 0 314.433 2.140 10 0 DEAERO Cc1c(C(=O)N2CCC[C@H]2C[NH3+])cnn1-c1ccccc1Cl ZINC000237756711 402420130 /nfs/dbraw/zinc/42/01/30/402420130.db2.gz PFJYDIIUFWSHEF-LBPRGKRZSA-N 1 0 318.808 2.397 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)Cn2ccnc2C)C12CCOCC2 ZINC000186319029 402420252 /nfs/dbraw/zinc/42/02/52/402420252.db2.gz RLGUOUMOMUYLEX-HYVNUMGLSA-N 1 0 321.465 2.391 10 0 DEAERO Cc1c2ccccc2[nH]c(=O)c1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237791199 402421843 /nfs/dbraw/zinc/42/18/43/402421843.db2.gz LRFVVYUEWNTCIG-ZDUSSCGKSA-N 1 0 313.401 2.368 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]CCc2c(C)noc2C)C12CCOCC2 ZINC000186329138 402421896 /nfs/dbraw/zinc/42/18/96/402421896.db2.gz CWLPUXHTARTUMC-CVEARBPZSA-N 1 0 308.422 2.398 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000262637680 292232681 /nfs/dbraw/zinc/23/26/81/292232681.db2.gz QMDUDPHLQXRYFV-XIRDDKMYSA-N 1 0 302.418 2.283 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000177696223 402427410 /nfs/dbraw/zinc/42/74/10/402427410.db2.gz QPGHGUAIDSLMII-RDJZCZTQSA-N 1 0 309.498 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CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ncc(C)s2)[C@@H](C)C1 ZINC000246549890 402536685 /nfs/dbraw/zinc/53/66/85/402536685.db2.gz XDYLWHMOIUWZDO-AAEUAGOBSA-N 1 0 310.467 2.323 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCOCC2CC2)[C@@H](C)C1 ZINC000246573524 402537110 /nfs/dbraw/zinc/53/71/10/402537110.db2.gz YQRHGZANIIGGLC-GOEBONIOSA-N 1 0 311.470 2.175 10 0 DEAERO CC(C)[C@@H](CNC(=O)NCCCc1ccccn1)[NH+]1CCCC1 ZINC000179210441 402581147 /nfs/dbraw/zinc/58/11/47/402581147.db2.gz AOFKMYTZGDDCGZ-QGZVFWFLSA-N 1 0 318.465 2.434 10 0 DEAERO COCCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000248145084 402583606 /nfs/dbraw/zinc/58/36/06/402583606.db2.gz ZKYSDXMRLJYCGK-JKSUJKDBSA-N 1 0 302.418 2.365 10 0 DEAERO CNc1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000179338917 402585746 /nfs/dbraw/zinc/58/57/46/402585746.db2.gz WVRAJUABNJNXMR-GXTWGEPZSA-N 1 0 316.430 2.360 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249412978 402628818 /nfs/dbraw/zinc/62/88/18/402628818.db2.gz FTQOWRNKNULLAI-CHWSQXEVSA-N 1 0 324.387 2.126 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)OC)c(C)c2)C1 ZINC000171520857 402591056 /nfs/dbraw/zinc/59/10/56/402591056.db2.gz WWAIODSQACUGDI-CQSZACIVSA-N 1 0 319.405 2.387 10 0 DEAERO CCC[C@H](C(=O)NC[C@@H]1COC2(CCCCCC2)O1)[NH+](C)C ZINC000180874310 402628816 /nfs/dbraw/zinc/62/88/16/402628816.db2.gz JGGMEZOBCUFNRE-HUUCEWRRSA-N 1 0 312.454 2.299 10 0 DEAERO Cc1ccc(-c2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)[nH]n2)cc1 ZINC000171585627 402597854 /nfs/dbraw/zinc/59/78/54/402597854.db2.gz LEDMWPXBHYCMAD-OAHLLOKOSA-N 1 0 310.401 2.305 10 0 DEAERO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1CCCOC1 ZINC000171589943 402598597 /nfs/dbraw/zinc/59/85/97/402598597.db2.gz AUORJIKNWPUDEC-IRXDYDNUSA-N 1 0 317.433 2.302 10 0 DEAERO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(C)(C)OC ZINC000171595007 402599045 /nfs/dbraw/zinc/59/90/45/402599045.db2.gz RJMHUGSVMASHAE-UHFFFAOYSA-N 1 0 322.449 2.448 10 0 DEAERO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCCOC2)[NH+]2CCCC2)o1 ZINC000171604165 402600161 /nfs/dbraw/zinc/60/01/61/402600161.db2.gz FBWILZJPURYSDR-HUUCEWRRSA-N 1 0 321.421 2.203 10 0 DEAERO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000171614496 402601421 /nfs/dbraw/zinc/60/14/21/402601421.db2.gz RBOSSPFQOVUCAQ-MRXNPFEDSA-N 1 0 311.470 2.319 10 0 DEAERO C[C@H]1C[C@H](CC[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)C[C@@H](C)C1 ZINC000248682415 402603317 /nfs/dbraw/zinc/60/33/17/402603317.db2.gz PUFQIBHDKAUZBS-XJIUQZFPSA-N 1 0 307.438 2.123 10 0 DEAERO CC(C)CNC(=O)c1cccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171638143 402604614 /nfs/dbraw/zinc/60/46/14/402604614.db2.gz FJHHQFFVJDRZLC-GOSISDBHSA-N 1 0 315.461 2.352 10 0 DEAERO O=C1C[C@@H](c2ccccc2)[N@H+](C[C@H](O)CC2CCCC2)CCN1 ZINC000190499013 402605683 /nfs/dbraw/zinc/60/56/83/402605683.db2.gz QTWDAIUGSMRRCN-MSOLQXFVSA-N 1 0 316.445 2.491 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000248742245 402606335 /nfs/dbraw/zinc/60/63/35/402606335.db2.gz BGEFMBHPDRVNAT-HIFRSBDPSA-N 1 0 315.417 2.103 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C12CCOCC2 ZINC000248902569 402614055 /nfs/dbraw/zinc/61/40/55/402614055.db2.gz ANPAJCINWXRXEF-IXDOHACOSA-N 1 0 323.408 2.423 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C)c2)[C@@H](C)C1 ZINC000249142702 402621754 /nfs/dbraw/zinc/62/17/54/402621754.db2.gz FTWVKRDWCYLNQC-GOEBONIOSA-N 1 0 317.433 2.122 10 0 DEAERO C[C@H]([NH2+]CC(=O)NCC1CCC1)c1cccc(-n2ccnc2)c1 ZINC000180662376 402622473 /nfs/dbraw/zinc/62/24/73/402622473.db2.gz FAMNNMCVIFVUOQ-AWEZNQCLSA-N 1 0 312.417 2.439 10 0 DEAERO Cc1ccn(-c2ccccc2NC(=O)N2CCC[N@@H+](C)CC2)n1 ZINC000180704092 402623896 /nfs/dbraw/zinc/62/38/96/402623896.db2.gz QRIMANIPUMLXKE-UHFFFAOYSA-N 1 0 313.405 2.350 10 0 DEAERO O=C(Nc1cnc(-c2ccccc2)nc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171807319 402623987 /nfs/dbraw/zinc/62/39/87/402623987.db2.gz HDSKLLORAXGQKA-INIZCTEOSA-N 1 0 323.400 2.456 10 0 DEAERO CCC[C@H](C(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC000249341249 402626074 /nfs/dbraw/zinc/62/60/74/402626074.db2.gz IXOMFWYCGWXBJE-YRGRVCCFSA-N 1 0 324.387 2.317 10 0 DEAERO C[C@H]1CCC[N@H+](CCNC(=O)NCCCc2ccccn2)C1 ZINC000179170866 402577595 /nfs/dbraw/zinc/57/75/95/402577595.db2.gz LEVUMZOMRBPRBJ-HNNXBMFYSA-N 1 0 304.438 2.045 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2nccc(OC)c2OC)[C@H](C)C1 ZINC000190885787 402629403 /nfs/dbraw/zinc/62/94/03/402629403.db2.gz MXRNHWMGTMXNID-HIFRSBDPSA-N 1 0 307.438 2.261 10 0 DEAERO O[C@@H](CC1CCCC1)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000190984872 402634698 /nfs/dbraw/zinc/63/46/98/402634698.db2.gz FMBXDRBPGYUMOI-SFHVURJKSA-N 1 0 303.450 2.140 10 0 DEAERO C[NH+](C)CCNC(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000181078241 402635253 /nfs/dbraw/zinc/63/52/53/402635253.db2.gz VJGBDYNHOKDICU-ZDUSSCGKSA-N 1 0 311.813 2.415 10 0 DEAERO C[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)CCN1CC(F)(F)F ZINC000191025475 402636951 /nfs/dbraw/zinc/63/69/51/402636951.db2.gz QRSUNLQOPNIPHU-OCCSQVGLSA-N 1 0 308.388 2.496 10 0 DEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000249720107 402638832 /nfs/dbraw/zinc/63/88/32/402638832.db2.gz LTWLKVIZQSXFGJ-MLHJIOFPSA-N 1 0 317.429 2.396 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249751786 402640765 /nfs/dbraw/zinc/64/07/65/402640765.db2.gz DKAIBFDLCLFOPX-VXGBXAGGSA-N 1 0 307.360 2.455 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1NC(C)=O ZINC000249788286 402641719 /nfs/dbraw/zinc/64/17/19/402641719.db2.gz DUMPVKPRDJHWGM-CIISACIHSA-N 1 0 306.406 2.464 10 0 DEAERO CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)C2CCCC2)CC1 ZINC000172182750 402644079 /nfs/dbraw/zinc/64/40/79/402644079.db2.gz GOOPRMNZCIGCRG-INIZCTEOSA-N 1 0 324.513 2.282 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000252537926 402658463 /nfs/dbraw/zinc/65/84/63/402658463.db2.gz BVUQGZAQZXJXDB-DOTOQJQBSA-N 1 0 324.513 2.375 10 0 DEAERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)CC[C@H]1C ZINC000251710394 402649534 /nfs/dbraw/zinc/64/95/34/402649534.db2.gz KKLUUGZJRNNDCR-MLGOLLRUSA-N 1 0 320.389 2.101 10 0 DEAERO CO[C@@H]1CN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC[C@H]1C ZINC000251911557 402651480 /nfs/dbraw/zinc/65/14/80/402651480.db2.gz RTCZDMUUXDDZMP-KLHDSHLOSA-N 1 0 311.470 2.173 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[C@@H]1C ZINC000251943333 402651539 /nfs/dbraw/zinc/65/15/39/402651539.db2.gz UUIUWNZMOXIESH-USXIJHARSA-N 1 0 319.449 2.356 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000252061381 402652996 /nfs/dbraw/zinc/65/29/96/402652996.db2.gz ZYKBTBBSEZUACJ-OAGGEKHMSA-N 1 0 311.470 2.317 10 0 DEAERO COC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)cc1 ZINC000191232353 402653094 /nfs/dbraw/zinc/65/30/94/402653094.db2.gz DNKFWBBSDYAXKU-HRCADAONSA-N 1 0 317.385 2.247 10 0 DEAERO COc1ccc(OC)c(CN(C(=O)[C@H](C)[C@@H](C)[NH3+])C2CC2)c1 ZINC000192002880 402703750 /nfs/dbraw/zinc/70/37/50/402703750.db2.gz DZYMUVJJXJFOIV-VXGBXAGGSA-N 1 0 306.406 2.178 10 0 DEAERO Fc1ccc(-n2ccc(CN3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000173652460 402707015 /nfs/dbraw/zinc/70/70/15/402707015.db2.gz IFTJFUCYTQEKMA-QGZVFWFLSA-N 1 0 300.381 2.291 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000173710739 402709247 /nfs/dbraw/zinc/70/92/47/402709247.db2.gz MOBHUEJJMJGWBR-LBPRGKRZSA-N 1 0 316.380 2.287 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)c1ncc(F)cc1F)c1ccccc1 ZINC000192094934 402710816 /nfs/dbraw/zinc/71/08/16/402710816.db2.gz UQWSTLQZYGHVBY-AWEZNQCLSA-N 1 0 305.328 2.393 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCOC2(CCCCC2)C1 ZINC000173831611 402714460 /nfs/dbraw/zinc/71/44/60/402714460.db2.gz WKSGEBHXIPCNLK-HNNXBMFYSA-N 1 0 311.470 2.461 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1nc2ccccc2[nH]1 ZINC000261648988 402715354 /nfs/dbraw/zinc/71/53/54/402715354.db2.gz FMVMQVRKQDBFFF-JUKMUDQWSA-N 1 0 314.389 2.034 10 0 DEAERO CCn1cc(C[N@H+]2C[C@@H](c3ccncc3)[C@H](COC)C2)cn1 ZINC000253413682 402663919 /nfs/dbraw/zinc/66/39/19/402663919.db2.gz VKMXURFTJMQJJN-IRXDYDNUSA-N 1 0 300.406 2.160 10 0 DEAERO CO[C@@H](C)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000182023211 402663947 /nfs/dbraw/zinc/66/39/47/402663947.db2.gz MEQZQNPZAUGKJL-LBPRGKRZSA-N 1 0 320.389 2.101 10 0 DEAERO COCCN(C)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000191399055 402666736 /nfs/dbraw/zinc/66/67/36/402666736.db2.gz RLRRBJLQBLGETH-WBVHZDCISA-N 1 0 320.481 2.079 10 0 DEAERO O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)Nc1cc(F)cc(F)c1 ZINC000172648373 402668492 /nfs/dbraw/zinc/66/84/92/402668492.db2.gz PATOXLJKENOFGB-CYBMUJFWSA-N 1 0 323.387 2.321 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)CCS2 ZINC000191516762 402675550 /nfs/dbraw/zinc/67/55/50/402675550.db2.gz RMHVPVIZBNFHBM-RISCZKNCSA-N 1 0 306.431 2.443 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)N1CCCc2ccccc21 ZINC000172802420 402676472 /nfs/dbraw/zinc/67/64/72/402676472.db2.gz VXYKACXLYIETBJ-QGZVFWFLSA-N 1 0 313.445 2.136 10 0 DEAERO Cn1nnc2ccc(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)cc21 ZINC000182372793 402684366 /nfs/dbraw/zinc/68/43/66/402684366.db2.gz JJWCIGXFURDXTG-MRXNPFEDSA-N 1 0 323.400 2.001 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCCc1ccc(F)c(F)c1 ZINC000191671856 402685649 /nfs/dbraw/zinc/68/56/49/402685649.db2.gz XEUNAALJCQWBIB-UHFFFAOYSA-N 1 0 305.328 2.398 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C\c1cncc(O)c1 ZINC000255420410 402687235 /nfs/dbraw/zinc/68/72/35/402687235.db2.gz CEQJTQCFMLHSHT-IYKSTZQJSA-N 1 0 303.406 2.037 10 0 DEAERO Cc1ccc(Cl)c(OC[C@H](O)CN2[C@H](C)COC[C@@H]2C)c1 ZINC000182407468 402687369 /nfs/dbraw/zinc/68/73/69/402687369.db2.gz NXFJTPOMLXTCSR-HZSPNIEDSA-N 1 0 313.825 2.497 10 0 DEAERO Cc1ccc(Cl)c(OC[C@H](O)CN2[C@@H](C)COC[C@@H]2C)c1 ZINC000182407510 402687405 /nfs/dbraw/zinc/68/74/05/402687405.db2.gz NXFJTPOMLXTCSR-MELADBBJSA-N 1 0 313.825 2.497 10 0 DEAERO C[C@H]1C[N@H+](CCCc2cccc(F)c2)C[C@@H]1N1CCOCC1 ZINC000182835410 402720406 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CCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000183008126 402732568 /nfs/dbraw/zinc/73/25/68/402732568.db2.gz BVIFUUSOIPQPHX-QMMMGPOBSA-N 1 0 303.815 2.288 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)COCc2ccccc2)C1 ZINC000174233220 402732810 /nfs/dbraw/zinc/73/28/10/402732810.db2.gz OUVPKARKLAMVEP-RDJZCZTQSA-N 1 0 319.449 2.375 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000174239296 402733278 /nfs/dbraw/zinc/73/32/78/402733278.db2.gz RQPDGBVJNMGUJL-RYUDHWBXSA-N 1 0 323.441 2.212 10 0 DEAERO CNC(=O)[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000183603730 402780496 /nfs/dbraw/zinc/78/04/96/402780496.db2.gz RYFVBDPHOYQOMI-JXQTWKCFSA-N 1 0 312.454 2.247 10 0 DEAERO CCc1cnc(CC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)s1 ZINC000174283149 402734989 /nfs/dbraw/zinc/73/49/89/402734989.db2.gz IUHBHSYLNVJTCO-CQSZACIVSA-N 1 0 307.394 2.203 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000192581294 402738150 /nfs/dbraw/zinc/73/81/50/402738150.db2.gz 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CC(=O)N(C)c1ccc(C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000279107459 402904434 /nfs/dbraw/zinc/90/44/34/402904434.db2.gz VONOTUXWTAOEAP-UHFFFAOYSA-N 1 0 317.433 2.274 10 0 DEAERO CCn1cc(C2CC[NH+](CC(=O)N3CCC[C@H](C)C3)CC2)cn1 ZINC000195499760 402847644 /nfs/dbraw/zinc/84/76/44/402847644.db2.gz YWILAQHMYPAAOG-HNNXBMFYSA-N 1 0 318.465 2.341 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2c1cccc2F ZINC000184507946 402847801 /nfs/dbraw/zinc/84/78/01/402847801.db2.gz CIPBLHCGBZZMOW-CYBMUJFWSA-N 1 0 321.396 2.009 10 0 DEAERO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)C1 ZINC000195506065 402848327 /nfs/dbraw/zinc/84/83/27/402848327.db2.gz AHHGDIBOLJBYCP-OKILXGFUSA-N 1 0 304.438 2.094 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000278851169 402878061 /nfs/dbraw/zinc/87/80/61/402878061.db2.gz DJJLIJZMNJKKDP-UHFFFAOYSA-N 1 0 317.433 2.083 10 0 DEAERO COc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1OC ZINC000247520568 286282695 /nfs/dbraw/zinc/28/26/95/286282695.db2.gz 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ZINC000275887427 403130613 /nfs/dbraw/zinc/13/06/13/403130613.db2.gz ZFTPDWYAJWAGLH-QGZVFWFLSA-N 1 0 313.449 2.375 10 0 DEAERO COc1ccc(C[N@@H+]2CCC[C@@H]2CN(C(C)=O)C2CC2)cn1 ZINC000276429797 403174352 /nfs/dbraw/zinc/17/43/52/403174352.db2.gz LTCPPBKOJIMZEI-MRXNPFEDSA-N 1 0 303.406 2.066 10 0 DEAERO c1ccc(CN2CC[C@H]([NH+]3CCC(C4OCCO4)CC3)C2)cc1 ZINC000283633341 403211465 /nfs/dbraw/zinc/21/14/65/403211465.db2.gz AEVATMQLKKIINQ-SFHVURJKSA-N 1 0 316.445 2.346 10 0 DEAERO C[C@H](CCNc1ncnc(N)c1Cl)NC(=O)OC(C)(C)C ZINC000277667298 403243181 /nfs/dbraw/zinc/24/31/81/403243181.db2.gz ZSXUSQJEHLJXIF-MRVPVSSYSA-N 1 0 315.805 2.427 10 0 DEAERO Cc1cn2cc(NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)ccc2n1 ZINC000271233476 403282257 /nfs/dbraw/zinc/28/22/57/403282257.db2.gz DSJVDPDQPCKWHK-ZFWWWQNUSA-N 1 0 313.405 2.343 10 0 DEAERO Cc1cn2cc(NC(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)ccc2n1 ZINC000271233475 403282323 /nfs/dbraw/zinc/28/23/23/403282323.db2.gz DSJVDPDQPCKWHK-UKRRQHHQSA-N 1 0 313.405 2.343 10 0 DEAERO O[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000345754811 403469723 /nfs/dbraw/zinc/46/97/23/403469723.db2.gz AUSRXBFPPFEYTL-KZNAEPCWSA-N 1 0 317.429 2.026 10 0 DEAERO Cc1cc(CO)oc1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000293646080 403527542 /nfs/dbraw/zinc/52/75/42/403527542.db2.gz HVVCWGWDQAIUHN-GFCCVEGCSA-N 1 0 306.406 2.027 10 0 DEAERO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H](C)CO)c1 ZINC000248201436 286342884 /nfs/dbraw/zinc/34/28/84/286342884.db2.gz YUMSKZYPDIIGOC-FRRDWIJNSA-N 1 0 324.421 2.027 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)C[C@H]2CCCC[C@H]2O)ccc1F ZINC000343443212 403592079 /nfs/dbraw/zinc/59/20/79/403592079.db2.gz HKOMOPRQFYDEGL-RHSMWYFYSA-N 1 0 322.424 2.445 10 0 DEAERO C[C@H]1CCCN(c2cc(N3CC[N@@H+]4CCCC[C@H]4C3)ncn2)C1 ZINC000301275291 403609430 /nfs/dbraw/zinc/60/94/30/403609430.db2.gz YUEHQACCCJODGN-HOTGVXAUSA-N 1 0 315.465 2.387 10 0 DEAERO Cc1cc(N2CCNC(=O)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301336052 403616721 /nfs/dbraw/zinc/61/67/21/403616721.db2.gz CZUIZISGABHEMY-UHFFFAOYSA-N 1 0 307.300 2.081 10 0 DEAERO COc1cccc([C@@H]2C[C@H]2NC(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000333272961 403712592 /nfs/dbraw/zinc/71/25/92/403712592.db2.gz KVKAKNBFCFRLSK-JKSUJKDBSA-N 1 0 315.417 2.089 10 0 DEAERO Cc1cc(Cl)cnc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000333280133 403714547 /nfs/dbraw/zinc/71/45/47/403714547.db2.gz HMCCRXWVIDVTES-KOLCDFICSA-N 1 0 312.801 2.278 10 0 DEAERO Cc1cccc2c1ncnc2N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000302852126 403734734 /nfs/dbraw/zinc/73/47/34/403734734.db2.gz JFOGQAFNUXAVTK-GASCZTMLSA-N 1 0 314.433 2.484 10 0 DEAERO O=C(Nc1ccc2cc[nH]c(=O)c2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000333368944 403735567 /nfs/dbraw/zinc/73/55/67/403735567.db2.gz IQGZANJVSVLDOL-AWEZNQCLSA-N 1 0 312.373 2.252 10 0 DEAERO Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333674050 403810839 /nfs/dbraw/zinc/81/08/39/403810839.db2.gz DCDPXZOQNOOILQ-TZMCWYRMSA-N 1 0 303.797 2.309 10 0 DEAERO CC(C)c1nc([C@@H](C)[NH2+][C@H]2CCc3nnnn3CC2)cs1 ZINC000333714876 403829526 /nfs/dbraw/zinc/82/95/26/403829526.db2.gz IWEWIGNBJLPQJU-MNOVXSKESA-N 1 0 306.439 2.309 10 0 DEAERO CC(C)O[C@@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1(C)C ZINC000333626199 403796388 /nfs/dbraw/zinc/79/63/88/403796388.db2.gz SFOAFHIQYRJDHA-HUUCEWRRSA-N 1 0 323.481 2.364 10 0 DEAERO CC1(C)CN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@@H]1c1cccnc1 ZINC000333627462 403796488 /nfs/dbraw/zinc/79/64/88/403796488.db2.gz FZZNDZOIRWIZHJ-HUUCEWRRSA-N 1 0 302.422 2.316 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@@H]12 ZINC000333880797 403896754 /nfs/dbraw/zinc/89/67/54/403896754.db2.gz DKPXYOTYWSRMIY-FVQBIDKESA-N 1 0 321.428 2.201 10 0 DEAERO C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000333764954 403851889 /nfs/dbraw/zinc/85/18/89/403851889.db2.gz WMJHOENWQRGQAI-AEIGPULVSA-N 1 0 304.438 2.154 10 0 DEAERO c1ncn(CC[NH+]2CCC(CN3CCc4ccccc43)CC2)n1 ZINC000369179968 403993475 /nfs/dbraw/zinc/99/34/75/403993475.db2.gz HGJBVRHYWINJBI-UHFFFAOYSA-N 1 0 311.433 2.053 10 0 DEAERO C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000328638529 404122282 /nfs/dbraw/zinc/12/22/82/404122282.db2.gz PCQRGHNQSQAARO-MJEQTWJJSA-N 1 0 320.437 2.375 10 0 DEAERO C[C@@H]([NH2+]CCCC(C)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000296228371 404152734 /nfs/dbraw/zinc/15/27/34/404152734.db2.gz AFWXCPHPOIKHFV-SNVBAGLBSA-N 1 0 306.378 2.420 10 0 DEAERO C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363360316 404156059 /nfs/dbraw/zinc/15/60/59/404156059.db2.gz GEUSPMWENQKBSN-WZFZXHKMSA-N 1 0 318.392 2.208 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CCOc1ccc(F)cc1 ZINC000369733117 404212148 /nfs/dbraw/zinc/21/21/48/404212148.db2.gz VGIYWLHWHSKCIW-OAHLLOKOSA-N 1 0 322.424 2.390 10 0 DEAERO CN(C(=O)c1coc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000369751634 404217471 /nfs/dbraw/zinc/21/74/71/404217471.db2.gz YQXAEFFEVDYRCD-SNVBAGLBSA-N 1 0 301.184 2.256 10 0 DEAERO O=c1[nH]c(CN2CC[NH+](C3CC3)CC2)nc2c3ccccc3oc21 ZINC000329182564 404256497 /nfs/dbraw/zinc/25/64/97/404256497.db2.gz FGHKCWOORYIPNQ-UHFFFAOYSA-N 1 0 324.384 2.362 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000369900572 404266854 /nfs/dbraw/zinc/26/68/54/404266854.db2.gz BWRDWVOVJJYLRG-HNNXBMFYSA-N 1 0 310.401 2.247 10 0 DEAERO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccnc(C2CC2)n1 ZINC000330108275 404553705 /nfs/dbraw/zinc/55/37/05/404553705.db2.gz NKIKCDADEQFJGH-UHFFFAOYSA-N 1 0 300.406 2.101 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373924450 404640558 /nfs/dbraw/zinc/64/05/58/404640558.db2.gz MCMFIHLHDWTVBE-CHWSQXEVSA-N 1 0 305.426 2.292 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+]CC[C@@H](C)[S@@](C)=O)c2ccccc2C1 ZINC000352847749 404661571 /nfs/dbraw/zinc/66/15/71/404661571.db2.gz GGTUOBVTPBOJKF-LEXZLQQCSA-N 1 0 322.474 2.227 10 0 DEAERO Cc1c([C@H]2[C@H](C[NH2+][C@H]3CCC[C@H]3C)CC(=O)N2C)cnn1C ZINC000330252517 404603829 /nfs/dbraw/zinc/60/38/29/404603829.db2.gz IJSMQRQBTVMDCY-RKHKHNFPSA-N 1 0 304.438 2.026 10 0 DEAERO CC(C)n1cc([C@H](C)NC(=O)c2conc2C(C)(C)[NH3+])cn1 ZINC000568236831 292324681 /nfs/dbraw/zinc/32/46/81/292324681.db2.gz VXLFGUOKXYSYMA-JTQLQIEISA-N 1 0 305.382 2.137 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000415278614 404839448 /nfs/dbraw/zinc/83/94/48/404839448.db2.gz YDCQXIOXHIXKOQ-BBRMVZONSA-N 1 0 318.421 2.308 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](CCCc2ccsc2)CC12COC2 ZINC000451141292 404877180 /nfs/dbraw/zinc/87/71/80/404877180.db2.gz VEJUWICHDPTBIS-CQSZACIVSA-N 1 0 309.431 2.192 10 0 DEAERO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC2(C1)CCCCC2 ZINC000377877461 404849438 /nfs/dbraw/zinc/84/94/38/404849438.db2.gz BRRBAYVIWCWJBL-HZPDHXFCSA-N 1 0 321.465 2.215 10 0 DEAERO C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000353542772 404861350 /nfs/dbraw/zinc/86/13/50/404861350.db2.gz LKQVYULHEWPTTQ-SCOADAFUSA-N 1 0 308.447 2.090 10 0 DEAERO C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000353542771 404861683 /nfs/dbraw/zinc/86/16/83/404861683.db2.gz LKQVYULHEWPTTQ-DNXIFWLFSA-N 1 0 308.447 2.090 10 0 DEAERO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cn(C)nc2C(C)C)C[C@@H]1C ZINC000435173199 404960407 /nfs/dbraw/zinc/96/04/07/404960407.db2.gz IZPPSTYRJJPHPI-QWHCGFSZSA-N 1 0 307.442 2.490 10 0 DEAERO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccsc1Br ZINC000388965560 405036743 /nfs/dbraw/zinc/03/67/43/405036743.db2.gz HMPTUXSSCSHHNH-LDYMZIIASA-N 1 0 306.225 2.140 10 0 DEAERO COc1cccc(CC(=O)N2C[C@@H]([NH3+])CC[C@H]2C(F)(F)F)c1 ZINC000379293547 405025702 /nfs/dbraw/zinc/02/57/02/405025702.db2.gz WITXHITUVKFUCO-AAEUAGOBSA-N 1 0 316.323 2.118 10 0 DEAERO COc1cccc(CC(=O)N2C[C@H]([NH3+])CC[C@@H]2C(F)(F)F)c1 ZINC000379293548 405025850 /nfs/dbraw/zinc/02/58/50/405025850.db2.gz WITXHITUVKFUCO-DGCLKSJQSA-N 1 0 316.323 2.118 10 0 DEAERO CC(C)C[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361209612 404974819 /nfs/dbraw/zinc/97/48/19/404974819.db2.gz HFLCSJJNTAWFNY-LPHOPBHVSA-N 1 0 318.461 2.422 10 0 DEAERO CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000401760800 405065794 /nfs/dbraw/zinc/06/57/94/405065794.db2.gz RXNVINHHJIYGQL-QLFBSQMISA-N 1 0 302.484 2.216 10 0 DEAERO CC(C)NC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404162389 405068509 /nfs/dbraw/zinc/06/85/09/405068509.db2.gz YXMHIVQBHZMZDQ-IRXDYDNUSA-N 1 0 317.433 2.080 10 0 DEAERO C/C=C\C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)OCC ZINC000361548188 405126814 /nfs/dbraw/zinc/12/68/14/405126814.db2.gz GWLWBSWVRWQDEU-SNPDBEFISA-N 1 0 310.438 2.265 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)c2ccc(C(C)=O)c(O)c2)CC1 ZINC000436646429 405115023 /nfs/dbraw/zinc/11/50/23/405115023.db2.gz GCFGHCAWOPWJGF-UHFFFAOYSA-N 1 0 318.417 2.447 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000408183687 405132670 /nfs/dbraw/zinc/13/26/70/405132670.db2.gz SMYXEHVXGIAKJY-DYVFJYSZSA-N 1 0 315.417 2.344 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000408221786 405143536 /nfs/dbraw/zinc/14/35/36/405143536.db2.gz LIGQSBNPOXCKMF-UHFFFAOYSA-N 1 0 315.417 2.345 10 0 DEAERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc3nc[nH]c3cc2F)C[C@H]1C ZINC000408471562 405214489 /nfs/dbraw/zinc/21/44/89/405214489.db2.gz STFQBDMHEBCHFB-GHMZBOCLSA-N 1 0 304.369 2.257 10 0 DEAERO C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C(=O)N(C)C ZINC000361626129 405170882 /nfs/dbraw/zinc/17/08/82/405170882.db2.gz BMHAUEWSEVXVPX-LBPRGKRZSA-N 1 0 306.406 2.208 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000439044796 405263749 /nfs/dbraw/zinc/26/37/49/405263749.db2.gz ZXJFMQXEYRVKPQ-KBPBESRZSA-N 1 0 317.339 2.114 10 0 DEAERO CC(=O)CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H]2C2CC2)cc1 ZINC000453043661 405278850 /nfs/dbraw/zinc/27/88/50/405278850.db2.gz UNFQCBPTZZMYDE-HKUYNNGSSA-N 1 0 317.429 2.432 10 0 DEAERO C=Cn1cc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cn1 ZINC000425373342 405282581 /nfs/dbraw/zinc/28/25/81/405282581.db2.gz POEZCWQFVQQYRJ-MRXNPFEDSA-N 1 0 305.422 2.031 10 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GWVNGXIOZXRCAU-LLVKDONJSA-N 1 0 301.312 2.170 10 0 DEAERO COc1nsc(C[NH2+][C@H](C)C(C)(C)O)c1Br ZINC000638478516 405497045 /nfs/dbraw/zinc/49/70/45/405497045.db2.gz CPZNRCZSPAPNLD-ZCFIWIBFSA-N 1 0 309.229 2.163 10 0 DEAERO CC[C@H](C)n1ncc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000577559979 405468186 /nfs/dbraw/zinc/46/81/86/405468186.db2.gz UVWAYDUVKJVGTR-JSGCOSHPSA-N 1 0 304.438 2.377 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC[C@H]1CC=CCC1 ZINC000638597810 405565235 /nfs/dbraw/zinc/56/52/35/405565235.db2.gz BEQWZQHHQQPHPL-WMZOPIPTSA-N 1 0 315.461 2.308 10 0 DEAERO CC[C@H](COC)[NH2+]Cc1snc(OC)c1Br ZINC000638670268 405606847 /nfs/dbraw/zinc/60/68/47/405606847.db2.gz KRNSKIABGNBATO-SSDOTTSWSA-N 1 0 309.229 2.429 10 0 DEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)CC[C@H]2C1 ZINC000449553813 405611528 /nfs/dbraw/zinc/61/15/28/405611528.db2.gz MWLHKKNEOJFJRV-LZLYRXPVSA-N 1 0 312.417 2.250 10 0 DEAERO COc1nsc(C[NH2+]C[C@@H](C)CCO)c1Br ZINC000638700260 405625559 /nfs/dbraw/zinc/62/55/59/405625559.db2.gz SALUPGVBRYCUQS-ZETCQYMHSA-N 1 0 309.229 2.022 10 0 DEAERO O[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)COCC1CC1 ZINC000493842850 405587432 /nfs/dbraw/zinc/58/74/32/405587432.db2.gz IWZDJLOQUSTJGK-ADKAHSJRSA-N 1 0 305.418 2.111 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)c2csc(Br)c2)C[NH2+]1 ZINC000638647049 405593091 /nfs/dbraw/zinc/59/30/91/405593091.db2.gz GRBAJYBOOZKMPJ-IONNQARKSA-N 1 0 303.225 2.381 10 0 DEAERO CCN1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1=O ZINC000449520967 405595049 /nfs/dbraw/zinc/59/50/49/405595049.db2.gz SYUHYOKWRPRFOB-OAHLLOKOSA-N 1 0 318.417 2.352 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2Br)C[NH2+]1 ZINC000638654380 405597866 /nfs/dbraw/zinc/59/78/66/405597866.db2.gz FDORPYCXMMFLHA-PSASIEDQSA-N 1 0 315.186 2.459 10 0 DEAERO C(C[NH2+]CC1(CN2CCOCC2)CCCCC1)C[C@@H]1CCO1 ZINC000638733724 405639673 /nfs/dbraw/zinc/63/96/73/405639673.db2.gz CYYYCBXAHDQCPH-QGZVFWFLSA-N 1 0 310.482 2.428 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1 ZINC000457053007 405671183 /nfs/dbraw/zinc/67/11/83/405671183.db2.gz JHTDBWNLFMROMG-UHFFFAOYSA-N 1 0 317.433 2.274 10 0 DEAERO C[C@@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000638885633 405741166 /nfs/dbraw/zinc/74/11/66/405741166.db2.gz DDUAYRDNUAWPJS-NXEZZACHSA-N 1 0 317.216 2.425 10 0 DEAERO C[N@H+](CCCCNC(=O)Cn1ncc2ccccc21)C1CC1 ZINC000457203294 405750217 /nfs/dbraw/zinc/75/02/17/405750217.db2.gz OBJUYCHMCIRTSI-UHFFFAOYSA-N 1 0 300.406 2.027 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)C1 ZINC000583617573 405775644 /nfs/dbraw/zinc/77/56/44/405775644.db2.gz ZQGGMGRWNZJCQE-BBRMVZONSA-N 1 0 324.371 2.048 10 0 DEAERO CN1C(=O)C[C@@H]([NH2+]C2Cc3ccccc3C2)[C@@H]1c1cccnc1 ZINC000583619474 405776914 /nfs/dbraw/zinc/77/69/14/405776914.db2.gz IROQTNWCEVEWQT-MJGOQNOKSA-N 1 0 307.397 2.110 10 0 DEAERO CCO[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+](CC)CC)CC2)C1 ZINC000459183628 405787708 /nfs/dbraw/zinc/78/77/08/405787708.db2.gz DQWJGMCBWQHQQZ-IYBDPMFKSA-N 1 0 311.470 2.317 10 0 DEAERO c1c(CN2CCC([NH+]3CCCCC3)CC2)nnn1CC1CC1 ZINC000450270359 405810611 /nfs/dbraw/zinc/81/06/11/405810611.db2.gz MLHRTCQIEQQVOC-UHFFFAOYSA-N 1 0 303.454 2.138 10 0 DEAERO CC(=O)[C@](C)(O)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000450298771 405823091 /nfs/dbraw/zinc/82/30/91/405823091.db2.gz NNQHHEJQHBUTEV-GOSISDBHSA-N 1 0 305.418 2.050 10 0 DEAERO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000530867735 405873295 /nfs/dbraw/zinc/87/32/95/405873295.db2.gz KUCAECKXJFZBPP-RYRKJORJSA-N 1 0 322.449 2.109 10 0 DEAERO CCn1nncc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459364883 405874095 /nfs/dbraw/zinc/87/40/95/405874095.db2.gz SVPAMRFMRSXFOU-QGZVFWFLSA-N 1 0 313.449 2.252 10 0 DEAERO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)cc(C(=O)OC)c2)C1 ZINC000457516139 405877367 /nfs/dbraw/zinc/87/73/67/405877367.db2.gz NPNFKCKNYZBDNI-AWEZNQCLSA-N 1 0 318.417 2.243 10 0 DEAERO c1ccc2c(c1)CC[C@@H](C[NH2+]CC1(N3CCOCC3)CC1)C2 ZINC000639108567 405888626 /nfs/dbraw/zinc/88/86/26/405888626.db2.gz ZADRXGWDWNGNLZ-MRXNPFEDSA-N 1 0 300.446 2.246 10 0 DEAERO CC(=O)[C@@](C)(O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000450328407 405837643 /nfs/dbraw/zinc/83/76/43/405837643.db2.gz BTXJLKZFNQPGFM-SFHVURJKSA-N 1 0 315.417 2.281 10 0 DEAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000450327884 405837824 /nfs/dbraw/zinc/83/78/24/405837824.db2.gz NLIYBLPYZAGUKN-OIISXLGYSA-N 1 0 304.434 2.142 10 0 DEAERO c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000530724689 405851918 /nfs/dbraw/zinc/85/19/18/405851918.db2.gz ZKHZPOXWYHCEHH-QGZVFWFLSA-N 1 0 320.400 2.437 10 0 DEAERO CC(=O)N1CCC[C@@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639123165 405900514 /nfs/dbraw/zinc/90/05/14/405900514.db2.gz JVLZRZDRHNQZNH-ZWKOTPCHSA-N 1 0 315.461 2.361 10 0 DEAERO COCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000450460030 405909370 /nfs/dbraw/zinc/90/93/70/405909370.db2.gz ZAUPXVYFJKJQTN-FVQBIDKESA-N 1 0 311.422 2.385 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000457622345 405923865 /nfs/dbraw/zinc/92/38/65/405923865.db2.gz LRENZXYJFICFPY-HZPDHXFCSA-N 1 0 318.417 2.384 10 0 DEAERO COc1nsc(C[NH2+][C@H](CO)C2CCC2)c1Br ZINC000639305090 406033246 /nfs/dbraw/zinc/03/32/46/406033246.db2.gz JNRAXRCSHVBDLB-MRVPVSSYSA-N 1 0 321.240 2.165 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2)c1 ZINC000531567234 405979597 /nfs/dbraw/zinc/97/95/97/405979597.db2.gz GPVLITRMSGIJIK-KSSFIOAISA-N 1 0 324.428 2.393 10 0 DEAERO CCCCNC(=O)CN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531615508 405985555 /nfs/dbraw/zinc/98/55/55/405985555.db2.gz PHTGVDMYYFESQB-CQSZACIVSA-N 1 0 312.454 2.347 10 0 DEAERO C(c1noc(CN2CCC[C@@H]2C[NH+]2CCCCC2)n1)C1CC1 ZINC000639471469 406103784 /nfs/dbraw/zinc/10/37/84/406103784.db2.gz OWBZIYWUJYULRG-OAHLLOKOSA-N 1 0 304.438 2.472 10 0 DEAERO COc1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)on1 ZINC000639325403 406045301 /nfs/dbraw/zinc/04/53/01/406045301.db2.gz XEMHRQDVHPCNMK-OAHLLOKOSA-N 1 0 301.390 2.437 10 0 DEAERO C[C@]1(c2nc(-c3cccc(Br)c3)no2)C[NH2+]CCO1 ZINC000634553959 406168725 /nfs/dbraw/zinc/16/87/25/406168725.db2.gz LQBKJKFMNMDPKQ-CYBMUJFWSA-N 1 0 324.178 2.334 10 0 DEAERO C[C@@H]1C[C@H]1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471668754 406107471 /nfs/dbraw/zinc/10/74/71/406107471.db2.gz LYJQIACMXRWRLK-OIISXLGYSA-N 1 0 301.434 2.464 10 0 DEAERO CO[C@@H]1CC[C@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000471825256 406122342 /nfs/dbraw/zinc/12/23/42/406122342.db2.gz KBTSHBUQXKWRIJ-YESZJQIVSA-N 1 0 319.449 2.026 10 0 DEAERO c1cc(C[NH+]2CCN(Cc3ccncc3)CC2)c2c(c1)COCC2 ZINC000639548748 406139984 /nfs/dbraw/zinc/13/99/84/406139984.db2.gz LOTNGXCWNDXMHK-UHFFFAOYSA-N 1 0 323.440 2.472 10 0 DEAERO O=C(C[NH2+]C1(CCO)CCCCC1)NCCCc1ccccc1 ZINC000474284364 406144013 /nfs/dbraw/zinc/14/40/13/406144013.db2.gz JDROHUPRGLDSTF-UHFFFAOYSA-N 1 0 318.461 2.410 10 0 DEAERO CCOC1CC(CC[NH2+]Cc2c(Br)cnn2C)C1 ZINC000487150034 406209204 /nfs/dbraw/zinc/20/92/04/406209204.db2.gz BLJUNWKQGUDPCX-UHFFFAOYSA-N 1 0 316.243 2.477 10 0 DEAERO CC[C@H]([NH2+]Cc1c(Br)cnn1C)[C@@H]1CCCO1 ZINC000487557899 406246107 /nfs/dbraw/zinc/24/61/07/406246107.db2.gz KUZKXTLRHUGFRE-JQWIXIFHSA-N 1 0 302.216 2.230 10 0 DEAERO C[C@H]1C[C@@H](CC[NH2+]Cc2c(Br)cnn2C)CCO1 ZINC000487567793 406248010 /nfs/dbraw/zinc/24/80/10/406248010.db2.gz BFZBDXKKLWYRFI-QWRGUYRKSA-N 1 0 316.243 2.477 10 0 DEAERO c1cc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)nc(N2CCCCC2)n1 ZINC000634812715 406295819 /nfs/dbraw/zinc/29/58/19/406295819.db2.gz PNTKXLINXVFNOL-HUUCEWRRSA-N 1 0 301.438 2.045 10 0 DEAERO C[NH2+]C(C)(C)CNC(=O)Nc1cccc2c(OC)ccnc12 ZINC000537222483 406286301 /nfs/dbraw/zinc/28/63/01/406286301.db2.gz AADRPFUWAHCIQE-UHFFFAOYSA-N 1 0 302.378 2.363 10 0 DEAERO COc1cccc(CCC(=O)N(C)CCC[NH+](C)C)c1OC ZINC000537213796 406286839 /nfs/dbraw/zinc/28/68/39/406286839.db2.gz SLYPTCZCAKEPOO-UHFFFAOYSA-N 1 0 308.422 2.047 10 0 DEAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000488713385 406339896 /nfs/dbraw/zinc/33/98/96/406339896.db2.gz CRTPFXLSNNXNSH-UKRRQHHQSA-N 1 0 301.390 2.372 10 0 DEAERO CC1(c2ccccc2)CC(NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000545245440 406306840 /nfs/dbraw/zinc/30/68/40/406306840.db2.gz RIDUMRSQAQSGAK-UHFFFAOYSA-N 1 0 324.428 2.335 10 0 DEAERO Cc1noc(C)c1[C@@H](C)CNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000547273426 406394546 /nfs/dbraw/zinc/39/45/46/406394546.db2.gz XBWUTGPQQWPNND-ZDUSSCGKSA-N 1 0 320.437 2.346 10 0 DEAERO CC1=CCN(CC[NH2+][C@H](C)CC(=O)N2CCCCCC2)CC1 ZINC000547279738 406395081 /nfs/dbraw/zinc/39/50/81/406395081.db2.gz XDTAQTYEZBZIMQ-QGZVFWFLSA-N 1 0 307.482 2.409 10 0 DEAERO CCC1(CC)C[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)CCS1 ZINC000547337528 406399738 /nfs/dbraw/zinc/39/97/38/406399738.db2.gz WHMLZCFPNTVOAC-CABCVRRESA-N 1 0 317.495 2.151 10 0 DEAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634965996 406375854 /nfs/dbraw/zinc/37/58/54/406375854.db2.gz YYNXAJJDAQXWNB-GDBMZVCRSA-N 1 0 311.447 2.149 10 0 DEAERO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCS(=O)(=O)CC2)CCO1 ZINC000634973384 406380001 /nfs/dbraw/zinc/38/00/01/406380001.db2.gz ACXFBKBQZPRZOL-MCIONIFRSA-N 1 0 303.468 2.137 10 0 DEAERO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCS(=O)(=O)CC2)CCO1 ZINC000634973385 406380325 /nfs/dbraw/zinc/38/03/25/406380325.db2.gz ACXFBKBQZPRZOL-MJBXVCDLSA-N 1 0 303.468 2.137 10 0 DEAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634974728 406381141 /nfs/dbraw/zinc/38/11/41/406381141.db2.gz JEDWFAVZYVYSEC-DOTOQJQBSA-N 1 0 324.490 2.064 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+]CCOc1ccccc1 ZINC000490579845 406472421 /nfs/dbraw/zinc/47/24/21/406472421.db2.gz NZAVHRNDJWEROA-UHFFFAOYSA-N 1 0 308.385 2.495 10 0 DEAERO [NH3+][C@H]1CC=C(C(=O)NCc2cc(F)ccc2Br)C1 ZINC000637908550 406473066 /nfs/dbraw/zinc/47/30/66/406473066.db2.gz HAGSAEWOIBEXPV-NSHDSACASA-N 1 0 313.170 2.252 10 0 DEAERO O=C(CCC1C[NH2+]C1)NCc1sccc1Br ZINC000637964043 406499455 /nfs/dbraw/zinc/49/94/55/406499455.db2.gz RWCXFTTVTZAGKF-UHFFFAOYSA-N 1 0 303.225 2.126 10 0 DEAERO [NH3+]C[C@]1(C(=O)NCc2c(Cl)cccc2Cl)CCCOC1 ZINC000637922502 406479320 /nfs/dbraw/zinc/47/93/20/406479320.db2.gz PKISQKWCONZBFO-CQSZACIVSA-N 1 0 317.216 2.365 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000637954256 406493974 /nfs/dbraw/zinc/49/39/74/406493974.db2.gz UZQKAZKHHCXHPE-BZSNNMDCSA-N 1 0 315.461 2.237 10 0 DEAERO C[C@H]1Cc2ccccc2N1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637868529 406453715 /nfs/dbraw/zinc/45/37/15/406453715.db2.gz OMMGWNQODDUFKC-YJBOKZPZSA-N 1 0 323.440 2.424 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1ccc(Cl)cc1Cl ZINC000637885270 406462663 /nfs/dbraw/zinc/46/26/63/406462663.db2.gz UAWVWMWOOGFEAF-VSYUYLJXSA-N 1 0 303.189 2.287 10 0 DEAERO NC(=O)c1csc(C[NH2+]CC[C@H]2COc3ccccc3O2)c1 ZINC000571593205 406540253 /nfs/dbraw/zinc/54/02/53/406540253.db2.gz BALWGDAJLFGFJS-LBPRGKRZSA-N 1 0 318.398 2.167 10 0 DEAERO CN1CCO[C@H](C[N@H+](C)Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638053608 406546896 /nfs/dbraw/zinc/54/68/96/406546896.db2.gz KGEJDUADAXWAFX-LBPRGKRZSA-N 1 0 318.248 2.338 10 0 DEAERO C[C@@H]1CC[C@@H](C)N(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638007408 406520270 /nfs/dbraw/zinc/52/02/70/406520270.db2.gz NJMNNTFUYLHKSB-BFYDXBDKSA-N 1 0 303.450 2.093 10 0 DEAERO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(C(F)(F)F)cnc1C ZINC000638225100 406635477 /nfs/dbraw/zinc/63/54/77/406635477.db2.gz WJKIWSBHPDKZSR-QWRGUYRKSA-N 1 0 319.302 2.181 10 0 DEAERO C[C@@H](CCC1CC1)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638308746 406690350 /nfs/dbraw/zinc/69/03/50/406690350.db2.gz XHIDMJGZBQSAMY-WMLDXEAASA-N 1 0 303.450 2.141 10 0 DEAERO C[C@H]1CCCCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638313507 406692372 /nfs/dbraw/zinc/69/23/72/406692372.db2.gz XJGBCSKFEFTSTQ-DOTOQJQBSA-N 1 0 303.450 2.094 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOCC2CCC2)C[C@@H]1C ZINC000572572208 406692962 /nfs/dbraw/zinc/69/29/62/406692962.db2.gz SGSHXLFGCZQZDK-HOCLYGCPSA-N 1 0 311.470 2.317 10 0 DEAERO CCc1nc(NC(=O)NCCNc2cc[nH+]cc2)sc1C ZINC000551819636 406638691 /nfs/dbraw/zinc/63/86/91/406638691.db2.gz FHILDNZFTXCGFV-UHFFFAOYSA-N 1 0 305.407 2.064 10 0 DEAERO Cc1n[nH]c(CC[NH2+]Cc2ccsc2Br)n1 ZINC000527685536 406717153 /nfs/dbraw/zinc/71/71/53/406717153.db2.gz FWNIYUPQMZUOBN-UHFFFAOYSA-N 1 0 301.213 2.269 10 0 DEAERO CCNC(=O)N1CC[C@H]([NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000555656875 406850814 /nfs/dbraw/zinc/85/08/14/406850814.db2.gz BWELWSJLNPMTMV-NSHDSACASA-N 1 0 322.409 2.329 10 0 DEAERO O=C([C@@H]1C[NH2+]CCOC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000643614412 407016716 /nfs/dbraw/zinc/01/67/16/407016716.db2.gz VQFDQTKCRANHPD-LJQANCHMSA-N 1 0 324.424 2.451 10 0 DEAERO C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000299608907 287150694 /nfs/dbraw/zinc/15/06/94/287150694.db2.gz UNCSXLWMGAGFLN-BONVTDFDSA-N 1 0 307.781 2.027 10 0 DEAERO CC[NH2+]CCCCn1c(C)c(Br)c(C)nc1=O ZINC000128809508 195994000 /nfs/dbraw/zinc/99/40/00/195994000.db2.gz XYKSQIQLXMCDOG-UHFFFAOYSA-N 1 0 302.216 2.012 10 0 DEAERO CC(C)C[NH2+]C[C@@H](C)[C@@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000128963689 196008535 /nfs/dbraw/zinc/00/85/35/196008535.db2.gz GQYWKYCLNSKRPS-ZIAGYGMSSA-N 1 0 309.420 2.437 10 0 DEAERO CC(C)C[NH2+]C[C@H](C)[C@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000128964328 196008573 /nfs/dbraw/zinc/00/85/73/196008573.db2.gz GQYWKYCLNSKRPS-KBPBESRZSA-N 1 0 309.420 2.437 10 0 DEAERO CC(C)C[NH2+]CC[C@@H](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000129040535 196014340 /nfs/dbraw/zinc/01/43/40/196014340.db2.gz BLTRNMFJBQDIME-HUUCEWRRSA-N 1 0 304.500 2.320 10 0 DEAERO C[C@H](CS(=O)(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000129159232 196024873 /nfs/dbraw/zinc/02/48/73/196024873.db2.gz IMCIACUZALDZJH-GDBMZVCRSA-N 1 0 310.463 2.099 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])[C@H](OC)C2CC2)c1Br ZINC000129190062 196027376 /nfs/dbraw/zinc/02/73/76/196027376.db2.gz PVPYCIPPJQPZOY-TVQRCGJNSA-N 1 0 316.243 2.040 10 0 DEAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000129195503 196028279 /nfs/dbraw/zinc/02/82/79/196028279.db2.gz NQYIXKITPRXPAH-HOCLYGCPSA-N 1 0 308.447 2.248 10 0 DEAERO CNC(=O)c1ccn(-c2cc(Br)ccc2[C@@H](C)[NH3+])n1 ZINC000129231232 196031138 /nfs/dbraw/zinc/03/11/38/196031138.db2.gz YSHYIXWJALHVJX-MRVPVSSYSA-N 1 0 323.194 2.014 10 0 DEAERO CCN(CC)c1ncc(C[NH2+]CC[C@@H](C)[S@](C)=O)s1 ZINC000129399078 196044666 /nfs/dbraw/zinc/04/46/66/196044666.db2.gz MZEBODCLPCSDEG-NSPYISDASA-N 1 0 303.497 2.236 10 0 DEAERO CC(C)C[NH2+]C[C@@H]1CC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129455877 196050570 /nfs/dbraw/zinc/05/05/70/196050570.db2.gz MXFUNYQWCDMAPW-XHSDSOJGSA-N 1 0 316.511 2.320 10 0 DEAERO Cc1cc(Br)cc2nc(C[C@H]3COCC[NH2+]3)[nH]c21 ZINC000129662987 196066078 /nfs/dbraw/zinc/06/60/78/196066078.db2.gz JPFPGONGJUZZJD-JTQLQIEISA-N 1 0 310.195 2.165 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]c(=O)cc1C)CC(C)C ZINC000129837460 196079830 /nfs/dbraw/zinc/07/98/30/196079830.db2.gz LITLWXXPONSOKT-AWEZNQCLSA-N 1 0 307.438 2.170 10 0 DEAERO CCS(=O)(=O)NCCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000130604663 196095290 /nfs/dbraw/zinc/09/52/90/196095290.db2.gz IGLPNZQEIIQFOB-UHFFFAOYSA-N 1 0 304.843 2.101 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130762251 196108085 /nfs/dbraw/zinc/10/80/85/196108085.db2.gz ZWJYLINRDRKGGU-AXFHLTTASA-N 1 0 308.451 2.035 10 0 DEAERO CCc1cc(C[C@@H]([NH3+])c2ccc(Br)cn2)n(C)n1 ZINC000130765339 196108796 /nfs/dbraw/zinc/10/87/96/196108796.db2.gz AZPGUMPIVLXPKZ-GFCCVEGCSA-N 1 0 309.211 2.383 10 0 DEAERO C[NH2+]Cc1ccc(CS(=O)(=O)c2ccc(F)c(F)c2)o1 ZINC000130899243 196121041 /nfs/dbraw/zinc/12/10/41/196121041.db2.gz HUOPVSMLTWCXNH-UHFFFAOYSA-N 1 0 301.314 2.251 10 0 DEAERO CCCCCCOC[C@@H](O)C[NH2+]CC1(CO)CCCCC1 ZINC000130909654 196122008 /nfs/dbraw/zinc/12/20/08/196122008.db2.gz GREWFJBXIYUTQY-INIZCTEOSA-N 1 0 301.471 2.477 10 0 DEAERO C[C@H]1CC[C@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)O1 ZINC000130943011 196124720 /nfs/dbraw/zinc/12/47/20/196124720.db2.gz URGQCBHRLCDEAF-UONOGXRCSA-N 1 0 312.479 2.032 10 0 DEAERO CC(C)[NH+](CCNC(=O)N1CC[C@@H]2OCCC[C@H]2C1)C(C)C ZINC000131116735 196142107 /nfs/dbraw/zinc/14/21/07/196142107.db2.gz UDSCAKDCZWEXQE-HOTGVXAUSA-N 1 0 311.470 2.316 10 0 DEAERO O=S1(=O)CC[C@H](CNC2=[NH+]CC3(CCCCC3)CS2)C1 ZINC000131142486 196143562 /nfs/dbraw/zinc/14/35/62/196143562.db2.gz FBPXDJPMVCYELJ-GFCCVEGCSA-N 1 0 316.492 2.064 10 0 DEAERO CN(c1nc(C(F)(F)F)ccc1C[NH3+])[C@H]1CCCC[C@@H]1O ZINC000131177836 196147336 /nfs/dbraw/zinc/14/73/36/196147336.db2.gz ORASUBZTPBAKCU-QWRGUYRKSA-N 1 0 303.328 2.299 10 0 DEAERO CCO[C@@H](C)CNS(=O)(=O)c1cccc([C@H](CC)[NH2+]C)c1 ZINC000131228409 196151517 /nfs/dbraw/zinc/15/15/17/196151517.db2.gz BKWUTQTWKNTELO-WFASDCNBSA-N 1 0 314.451 2.060 10 0 DEAERO Cc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000131258712 196154355 /nfs/dbraw/zinc/15/43/55/196154355.db2.gz WXSNGZMLDFIEDU-GHMZBOCLSA-N 1 0 309.207 2.049 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1cccc(C)c1Br ZINC000131394463 196165100 /nfs/dbraw/zinc/16/51/00/196165100.db2.gz LMKHVEOVMKHKEV-SNVBAGLBSA-N 1 0 315.211 2.450 10 0 DEAERO C[NH+](C)C[C@@](C)(O)CNCc1cccc(OCC(F)(F)F)c1 ZINC000131443318 196169681 /nfs/dbraw/zinc/16/96/81/196169681.db2.gz IASPXBSGIBXNBD-AWEZNQCLSA-N 1 0 320.355 2.030 10 0 DEAERO CC(C)n1ncc(Br)c1[C@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000131534970 196178047 /nfs/dbraw/zinc/17/80/47/196178047.db2.gz LJSAFWPSBWJUDV-ZWNOBZJWSA-N 1 0 316.243 2.434 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(Br)cc1O ZINC000131589296 196182879 /nfs/dbraw/zinc/18/28/79/196182879.db2.gz WWFZJPUKZQKQGL-WPRPVWTQSA-N 1 0 313.195 2.107 10 0 DEAERO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000131935421 196212180 /nfs/dbraw/zinc/21/21/80/196212180.db2.gz VYYRHBBBOFTCNB-CQSZACIVSA-N 1 0 304.438 2.068 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000131851919 196204677 /nfs/dbraw/zinc/20/46/77/196204677.db2.gz KBKQFCWACOQMMU-SNBTVBLJSA-N 1 0 315.417 2.281 10 0 DEAERO COC[C@H](C)[C@@H](C[NH3+])N(C)Cc1ccccc1Br ZINC000131958762 196213347 /nfs/dbraw/zinc/21/33/47/196213347.db2.gz XMVKNMQCYUCWRX-SMDDNHRTSA-N 1 0 315.255 2.491 10 0 DEAERO CCOC(=O)[C@H](NCC[NH+](C)C)c1cccc(C(F)F)c1 ZINC000131965066 196214342 /nfs/dbraw/zinc/21/43/42/196214342.db2.gz KOMSMRXRRCHOQK-CYBMUJFWSA-N 1 0 300.349 2.380 10 0 DEAERO CC[C@@H](C)[C@@H](O)c1c(Br)cnn1CC[NH+](C)C ZINC000132029535 196220333 /nfs/dbraw/zinc/22/03/33/196220333.db2.gz LBBWFHATFRCFCG-BXKDBHETSA-N 1 0 304.232 2.287 10 0 DEAERO COCCCNC(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1Cl ZINC000132158980 196231758 /nfs/dbraw/zinc/23/17/58/196231758.db2.gz CQWKZBKWTUJHDA-GHMZBOCLSA-N 1 0 314.813 2.280 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1([NH3+])CCOCC1 ZINC000132189817 196234601 /nfs/dbraw/zinc/23/46/01/196234601.db2.gz KVXOIRIBEYFGSF-UHFFFAOYSA-N 1 0 317.216 2.460 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000132340432 196247267 /nfs/dbraw/zinc/24/72/67/196247267.db2.gz JHUYAGQUNNHPHP-LMXNMWEISA-N 1 0 314.838 2.310 10 0 DEAERO CCNc1ncc(Br)c(NC[C@H](C)[NH+](C)C)n1 ZINC000132224120 196237024 /nfs/dbraw/zinc/23/70/24/196237024.db2.gz FWXLRQASKICHNO-QMMMGPOBSA-N 1 0 302.220 2.033 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000132265616 196240218 /nfs/dbraw/zinc/24/02/18/196240218.db2.gz UZUUXQQFGGGPMH-NTSWFWBYSA-N 1 0 308.250 2.191 10 0 DEAERO CNc1ncc(Br)c(NCCCC[NH+](C)C)n1 ZINC000132306970 196244722 /nfs/dbraw/zinc/24/47/22/196244722.db2.gz UNNQOEIBORBVOL-UHFFFAOYSA-N 1 0 302.220 2.035 10 0 DEAERO NC(=O)c1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000132451216 196257055 /nfs/dbraw/zinc/25/70/55/196257055.db2.gz SNJCZXOMDOLFRO-UHFFFAOYSA-N 1 0 324.384 2.029 10 0 DEAERO C[C@H]1CCC[C@]1(O)c1c(Br)cnn1CC[NH+](C)C ZINC000132489196 196259748 /nfs/dbraw/zinc/25/97/48/196259748.db2.gz ZRHFBGNGEQDWPZ-GXFFZTMASA-N 1 0 316.243 2.215 10 0 DEAERO COCC[N@H+](Cc1cncc(Br)c1)[C@H](C)COC ZINC000132491827 196259905 /nfs/dbraw/zinc/25/99/05/196259905.db2.gz RIXBOOMFUBYLBY-LLVKDONJSA-N 1 0 317.227 2.327 10 0 DEAERO CCC[N@@H+]1CCC[C@](O)(c2c(Br)cnn2C)CC1 ZINC000132506694 196261166 /nfs/dbraw/zinc/26/11/66/196261166.db2.gz KJNQAMIWXSCTLZ-CYBMUJFWSA-N 1 0 316.243 2.266 10 0 DEAERO Nc1cc[nH+]cc1C[C@@H](O)c1cc(Br)ccc1N ZINC000132867590 196291784 /nfs/dbraw/zinc/29/17/84/196291784.db2.gz OMHXZHOJLZPMBQ-CYBMUJFWSA-N 1 0 308.179 2.285 10 0 DEAERO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000132982889 196302227 /nfs/dbraw/zinc/30/22/27/196302227.db2.gz ZCYPLXGQFWYTQB-RCCFBDPRSA-N 1 0 322.493 2.413 10 0 DEAERO Cc1nc(Cc2noc(Cc3ccccc3C[NH3+])n2)cs1 ZINC000133108678 196312786 /nfs/dbraw/zinc/31/27/86/196312786.db2.gz SYEMBVGPHVZYEN-UHFFFAOYSA-N 1 0 300.387 2.475 10 0 DEAERO CC[C@@H](C)c1nc(N(CCOC)CCOC)sc1C[NH3+] ZINC000133134696 196313846 /nfs/dbraw/zinc/31/38/46/196313846.db2.gz BOQNRTLXDFVFSU-LLVKDONJSA-N 1 0 301.456 2.215 10 0 DEAERO CC(C)n1ncc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1=O ZINC000133869896 196341764 /nfs/dbraw/zinc/34/17/64/196341764.db2.gz SIKGYTQPDPYKIB-NSHDSACASA-N 1 0 310.829 2.374 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCCOC2)C1 ZINC000246286966 287274308 /nfs/dbraw/zinc/27/43/08/287274308.db2.gz CRECTWJGVOWIFI-ZACQAIPSSA-N 1 0 323.481 2.461 10 0 DEAERO Cc1cc(C)cc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)c1 ZINC000134008808 196352931 /nfs/dbraw/zinc/35/29/31/196352931.db2.gz CRXGXHNQZUDIOM-ZBFHGGJFSA-N 1 0 310.463 2.489 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000134038989 196355589 /nfs/dbraw/zinc/35/55/89/196355589.db2.gz GFOZJHAAVKFSAQ-BDAKNGLRSA-N 1 0 300.200 2.046 10 0 DEAERO CCC[C@H](O)C[NH2+]Cc1c(Br)c(C)nn1CC ZINC000134404399 196387096 /nfs/dbraw/zinc/38/70/96/196387096.db2.gz FKFITHNQDQUOJJ-JTQLQIEISA-N 1 0 304.232 2.225 10 0 DEAERO Cc1nn(C)c(C[C@@H]([NH3+])C[C@@H]2CCCCO2)c1Br ZINC000134514784 196397426 /nfs/dbraw/zinc/39/74/26/196397426.db2.gz QALVUZUKKAHVQI-QWRGUYRKSA-N 1 0 316.243 2.320 10 0 DEAERO C[C@H](CN(C)c1ccnc2cc(Br)cnc21)C(N)=[NH2+] ZINC000135518013 196482562 /nfs/dbraw/zinc/48/25/62/196482562.db2.gz YSRUINTZWWZHSL-MRVPVSSYSA-N 1 0 322.210 2.401 10 0 DEAERO CCC[NH2+]C[C@H](O)COc1ccc(F)c(Br)c1 ZINC000137534545 196576718 /nfs/dbraw/zinc/57/67/18/196576718.db2.gz HDXVYQWLKDZXHI-VIFPVBQESA-N 1 0 306.175 2.328 10 0 DEAERO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000444787714 287314521 /nfs/dbraw/zinc/31/45/21/287314521.db2.gz YOFUTTBWGWBWLQ-ZIAGYGMSSA-N 1 0 307.438 2.409 10 0 DEAERO C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CCC(C)(C)O2)CC1 ZINC000188221367 225015276 /nfs/dbraw/zinc/01/52/76/225015276.db2.gz FKXQXTBSISXZAR-OAHLLOKOSA-N 1 0 311.470 2.317 10 0 DEAERO Cc1ccc2c(CC[NH2+][C@H]3CCCS(=O)(=O)C3)cn(C)c2c1 ZINC000188699921 225029421 /nfs/dbraw/zinc/02/94/21/225029421.db2.gz VVRDNHIPWRKRMM-HNNXBMFYSA-N 1 0 320.458 2.196 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000189591261 225056515 /nfs/dbraw/zinc/05/65/15/225056515.db2.gz ZUZCVWBXQREGAC-HZPDHXFCSA-N 1 0 304.434 2.233 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccnn1C ZINC000192953546 225147429 /nfs/dbraw/zinc/14/74/29/225147429.db2.gz UGYFALPRUOBASN-VXGBXAGGSA-N 1 0 305.813 2.398 10 0 DEAERO CC[C@@](C)(CCO)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000153803248 287385276 /nfs/dbraw/zinc/38/52/76/287385276.db2.gz NMNJYGBKNRFROA-WMZOPIPTSA-N 1 0 321.465 2.010 10 0 DEAERO C[C@@H]1CCN(C(=O)c2coc(Br)c2)[C@@H](C[NH3+])C1 ZINC000261919860 287576695 /nfs/dbraw/zinc/57/66/95/287576695.db2.gz YQTLRHCUDSBLED-PSASIEDQSA-N 1 0 301.184 2.242 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](n2ccc(N)n2)C1 ZINC000616628720 422517301 /nfs/dbraw/zinc/51/73/01/422517301.db2.gz QLVMIHXWZWSCFJ-ZDUSSCGKSA-N 1 0 323.441 2.017 10 0 DEAERO CC(=O)c1ccccc1OCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516867680 424821037 /nfs/dbraw/zinc/82/10/37/424821037.db2.gz LEHINWBFIYSEIQ-SFHVURJKSA-N 1 0 302.418 2.344 10 0 DEAERO CCCCc1cc(=O)[nH]c(-c2cccc(C[N@H+](C)CCO)c2)n1 ZINC000048267946 424830590 /nfs/dbraw/zinc/83/05/90/424830590.db2.gz SHUZONJXLPQLAJ-UHFFFAOYSA-N 1 0 315.417 2.204 10 0 DEAERO CC(C)([NH3+])c1cn(Cc2csc(-c3ccccn3)n2)nn1 ZINC000070118896 424842077 /nfs/dbraw/zinc/84/20/77/424842077.db2.gz VOBJBRGQHVAEPY-UHFFFAOYSA-N 1 0 300.391 2.039 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1cccs1 ZINC000192865231 424866398 /nfs/dbraw/zinc/86/63/98/424866398.db2.gz LCFANYCJSSCDGX-SNVBAGLBSA-N 1 0 307.375 2.018 10 0 DEAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)cc1 ZINC000193744985 424871441 /nfs/dbraw/zinc/87/14/41/424871441.db2.gz SLGAZABTRTTXDF-KGLIPLIRSA-N 1 0 319.449 2.054 10 0 DEAERO N#Cc1cnnc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000396979817 424921454 /nfs/dbraw/zinc/92/14/54/424921454.db2.gz IOZOYHPNGYYTGX-QGZVFWFLSA-N 1 0 307.401 2.815 10 0 DEAERO CC(C)(C)OC(=O)NCC[NH+]1CCC(c2ccc(N)nc2)CC1 ZINC000616620016 425097781 /nfs/dbraw/zinc/09/77/81/425097781.db2.gz UEFRDXGIZTZVNE-UHFFFAOYSA-N 1 0 320.437 2.368 10 0 DEAERO CCc1ccc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)s1 ZINC000134006103 267435648 /nfs/dbraw/zinc/43/56/48/267435648.db2.gz NWZUXJJMRHIBCW-SMDDNHRTSA-N 1 0 316.492 2.496 10 0 DEAERO O=C(N[C@@H]1COc2ccccc21)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171668965 267461945 /nfs/dbraw/zinc/46/19/45/267461945.db2.gz MRKGMPYHHZJNTK-GDBMZVCRSA-N 1 0 315.417 2.390 10 0 DEAERO [NH3+]C[C@H](NC(=O)CCOc1cccc(Cl)c1)C(F)(F)F ZINC000655509958 425587285 /nfs/dbraw/zinc/58/72/85/425587285.db2.gz QNLBSPQWDNEMBE-JTQLQIEISA-N 1 0 310.703 2.115 10 0 DEAERO CN(C(=O)COc1ccc(Cl)cc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662974862 425769155 /nfs/dbraw/zinc/76/91/55/425769155.db2.gz BLDBTUQKHDWHQW-JTQLQIEISA-N 1 0 310.703 2.067 10 0 DEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCOC[C@@H]2C)o1 ZINC000194690594 268554331 /nfs/dbraw/zinc/55/43/31/268554331.db2.gz KARMMOCTBZSEOX-BBRMVZONSA-N 1 0 308.422 2.151 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(OC2CCCC2)CC1 ZINC000333710376 268981346 /nfs/dbraw/zinc/98/13/46/268981346.db2.gz SGEJLJHQOKUGQX-CJNGLKHVSA-N 1 0 309.454 2.118 10 0 DEAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000333720836 268982796 /nfs/dbraw/zinc/98/27/96/268982796.db2.gz GOOQHEBKIAPULO-UHOFOFEASA-N 1 0 321.396 2.049 10 0 DEAERO Cn1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)c(C2CCCCC2)n1 ZINC000333782313 268991820 /nfs/dbraw/zinc/99/18/20/268991820.db2.gz DWONEMCHQYTNSU-UHFFFAOYSA-N 1 0 316.449 2.436 10 0 DEAERO O=C(Nc1ccc2c(c1)OCO2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333931676 269005845 /nfs/dbraw/zinc/00/58/45/269005845.db2.gz GFQWYPOYHLBZMW-AWEZNQCLSA-N 1 0 317.389 2.411 10 0 DEAERO CCc1ncc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)o1 ZINC000334097517 269017685 /nfs/dbraw/zinc/01/76/85/269017685.db2.gz SZBHLUNDJLOYIT-AWEZNQCLSA-N 1 0 320.437 2.397 10 0 DEAERO CC(C)C[C@@H]1C(=O)NCCCN1C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000334130745 269022867 /nfs/dbraw/zinc/02/28/67/269022867.db2.gz UCLQSIAWSHUKOC-QKPAOTATSA-N 1 0 323.481 2.011 10 0 DEAERO CC1(C)C[C@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397638864 269106751 /nfs/dbraw/zinc/10/67/51/269106751.db2.gz RCPGZBBBQRQFOA-INIZCTEOSA-N 1 0 316.445 2.176 10 0 DEAERO CC(=O)N(c1nc(C[NH2+][C@H]2CCOC[C@H]2C)cs1)C1CC1 ZINC000432345282 269135176 /nfs/dbraw/zinc/13/51/76/269135176.db2.gz FAVFESZOITVOIA-YGRLFVJLSA-N 1 0 309.435 2.173 10 0 DEAERO C[C@H](O)C[NH+]1CCN(c2ccc3c(Cl)cccc3n2)CC1 ZINC000443514616 269139061 /nfs/dbraw/zinc/13/90/61/269139061.db2.gz YKPCJQWQTXSCPH-LBPRGKRZSA-N 1 0 305.809 2.391 10 0 DEAERO CCN1CCC[C@H]([NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495606441 269159750 /nfs/dbraw/zinc/15/97/50/269159750.db2.gz YBHFMNLPFLYBHG-HIFRSBDPSA-N 1 0 311.470 2.316 10 0 DEAERO Brc1cc(N2CC[NH2+]CC2)cnc1Br ZINC000034052839 273473112 /nfs/dbraw/zinc/47/31/12/273473112.db2.gz HXFVAAQNKJIFHH-UHFFFAOYSA-N 1 0 321.016 2.016 10 0 DEAERO C[C@@H]1CC(CC[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)C[C@@H](C)C1 ZINC000090005191 274282786 /nfs/dbraw/zinc/28/27/86/274282786.db2.gz JTCAYCHJOUMKOQ-KBPBESRZSA-N 1 0 321.465 2.465 10 0 DEAERO O=C([C@H]1COc2ccc(Cl)cc2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249825357 275009213 /nfs/dbraw/zinc/00/92/13/275009213.db2.gz JUDCAEKZPOSTTK-HIFRSBDPSA-N 1 0 320.820 2.198 10 0 DEAERO O=c1[nH]c2ccccc2n1C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000028234719 275042897 /nfs/dbraw/zinc/04/28/97/275042897.db2.gz QJCCAWADLGRXFF-IRXDYDNUSA-N 1 0 315.417 2.270 10 0 DEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)CC2 ZINC000187772885 275777399 /nfs/dbraw/zinc/77/73/99/275777399.db2.gz JNDUOVUGJMCWEH-HIFRSBDPSA-N 1 0 314.437 2.191 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1nc2ccccc2[nH]1 ZINC000261648996 275888233 /nfs/dbraw/zinc/88/82/33/275888233.db2.gz FMVMQVRKQDBFFF-OMXAPOSASA-N 1 0 314.389 2.034 10 0 DEAERO CC(C)[C@H](C[NH2+]C1CCN(C(N)=O)CC1)Nc1ccccc1 ZINC000154123893 276018274 /nfs/dbraw/zinc/01/82/74/276018274.db2.gz IJVSKPJNUIRCKX-INIZCTEOSA-N 1 0 304.438 2.256 10 0 DEAERO CCC[C@@H](C(=O)N1CCO[C@@]2(CCc3ccccc32)C1)[NH+](C)C ZINC000121536887 276020816 /nfs/dbraw/zinc/02/08/16/276020816.db2.gz BILUSEWYCGTCQD-HKUYNNGSSA-N 1 0 316.445 2.417 10 0 DEAERO CC[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C[C@@H]1CCCO1 ZINC000172172006 276080738 /nfs/dbraw/zinc/08/07/38/276080738.db2.gz DTUQRJWQTHBFDB-STQMWFEESA-N 1 0 322.371 2.288 10 0 DEAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC(F)(F)CN2)c1 ZINC000262950879 276110474 /nfs/dbraw/zinc/11/04/74/276110474.db2.gz JPWWXSHAQGFHFG-AWEZNQCLSA-N 1 0 311.376 2.464 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCc2ccc(OC)cc2C1 ZINC000066001551 276116276 /nfs/dbraw/zinc/11/62/76/276116276.db2.gz NLKSWRXUYHPNCC-CQSZACIVSA-N 1 0 319.449 2.493 10 0 DEAERO CC1(C)CN(CC(=O)Nc2nc3c(s2)CCCC3)CC[C@H]1[NH3+] ZINC000261641416 276131659 /nfs/dbraw/zinc/13/16/59/276131659.db2.gz GILZNRFRWMODNR-CYBMUJFWSA-N 1 0 322.478 2.020 10 0 DEAERO CC1(C)CN(c2ccccc2S(=O)(=O)C(F)F)CC[C@H]1[NH3+] ZINC000261661359 276136144 /nfs/dbraw/zinc/13/61/44/276136144.db2.gz KPDUGHVMFRTTNF-GFCCVEGCSA-N 1 0 318.389 2.247 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000358145119 276251756 /nfs/dbraw/zinc/25/17/56/276251756.db2.gz SOFSEIKVZLFVBT-DZGCQCFKSA-N 1 0 321.469 2.217 10 0 DEAERO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1F ZINC000261926941 276373501 /nfs/dbraw/zinc/37/35/01/276373501.db2.gz LFHALFCLUMGEMT-USXIJHARSA-N 1 0 322.424 2.471 10 0 DEAERO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000132877920 276391456 /nfs/dbraw/zinc/39/14/56/276391456.db2.gz MIZSPKISSSBQFB-HNNXBMFYSA-N 1 0 300.468 2.138 10 0 DEAERO CC(=O)Nc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000190742333 277065826 /nfs/dbraw/zinc/06/58/26/277065826.db2.gz DJGPIJYIJRDOGD-HNNXBMFYSA-N 1 0 301.390 2.002 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CSCCS2)[C@@H]1c1ccccc1 ZINC000248137077 277168520 /nfs/dbraw/zinc/16/85/20/277168520.db2.gz XRLKFDVSFBOOCS-ZNMIVQPWSA-N 1 0 322.499 2.397 10 0 DEAERO C[NH2+]C1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC000179132946 277263062 /nfs/dbraw/zinc/26/30/62/277263062.db2.gz IFYWEVCDOKIAHY-GFCCVEGCSA-N 1 0 308.809 2.102 10 0 DEAERO COC1(CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CCC1 ZINC000181501495 277467930 /nfs/dbraw/zinc/46/79/30/277467930.db2.gz FIMOJDPLWLTMPT-INIZCTEOSA-N 1 0 319.449 2.028 10 0 DEAERO COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000299742500 277850193 /nfs/dbraw/zinc/85/01/93/277850193.db2.gz JQZPOUHQTXELBK-MEBBXXQBSA-N 1 0 315.348 2.097 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000415278619 277968516 /nfs/dbraw/zinc/96/85/16/277968516.db2.gz YDCQXIOXHIXKOQ-CZUORRHYSA-N 1 0 318.421 2.308 10 0 DEAERO CSc1cccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000262102946 278176274 /nfs/dbraw/zinc/17/62/74/278176274.db2.gz TUNQSYCZOFKZGS-NWDGAFQWSA-N 1 0 314.476 2.075 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCN1c1nccs1 ZINC000110628060 278187022 /nfs/dbraw/zinc/18/70/22/278187022.db2.gz MNVCSJNRHRHMOA-ZIAGYGMSSA-N 1 0 322.478 2.103 10 0 DEAERO C[C@@H](C[NH2+][C@@H](C)c1nc2c(s1)CCCC2)N1CCOCC1 ZINC000093371630 278284294 /nfs/dbraw/zinc/28/42/94/278284294.db2.gz FIKPEJKMVQNTEO-STQMWFEESA-N 1 0 309.479 2.393 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc2c(c1)sc(=O)n2C ZINC000262012366 278317508 /nfs/dbraw/zinc/31/75/08/278317508.db2.gz MJRWKRYCOGVLCE-DGCLKSJQSA-N 1 0 305.447 2.302 10 0 DEAERO CC1(C)CN(C(=O)c2ccc3c(c2)OCCCO3)CC[C@H]1[NH3+] ZINC000261889266 278323349 /nfs/dbraw/zinc/32/33/49/278323349.db2.gz QFMCJJGRCCMVOY-OAHLLOKOSA-N 1 0 304.390 2.047 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000262595212 278852483 /nfs/dbraw/zinc/85/24/83/278852483.db2.gz XKKXGJOJZVJHRD-ULQDDVLXSA-N 1 0 302.418 2.316 10 0 DEAERO Cc1[nH]nc2ncc(CN(CC[NH3+])CCc3ccccc3)cc12 ZINC000262144299 279059818 /nfs/dbraw/zinc/05/98/18/279059818.db2.gz ZJJFJZOKXPWAFK-UHFFFAOYSA-N 1 0 309.417 2.270 10 0 DEAERO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000471971392 279097889 /nfs/dbraw/zinc/09/78/89/279097889.db2.gz AHDFOSLNRZJTPH-DDHJBXDOSA-N 1 0 307.360 2.451 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247419618 279258920 /nfs/dbraw/zinc/25/89/20/279258920.db2.gz KDMCBYZXHDYMLM-QLFBSQMISA-N 1 0 306.454 2.417 10 0 DEAERO C[C@H](CNC(=O)N1CC[C@@H]2OCCC[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246695416 279332051 /nfs/dbraw/zinc/33/20/51/279332051.db2.gz NBDQDRDSMDRZEY-VQHPVUNQSA-N 1 0 323.481 2.317 10 0 DEAERO C[C@H](NC(=O)CCc1ccnn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000185949698 279427590 /nfs/dbraw/zinc/42/75/90/279427590.db2.gz YSIIYOAPCOWODX-KBXCAEBGSA-N 1 0 314.433 2.160 10 0 DEAERO O=C(NCCC[NH2+][C@H]1CCCC[C@H]1n1cccn1)C(F)(F)F ZINC000128081490 279839782 /nfs/dbraw/zinc/83/97/82/279839782.db2.gz SVBGSOFFPPTEST-NWDGAFQWSA-N 1 0 318.343 2.025 10 0 DEAERO Cc1c(Cl)cc(S(=O)(=O)NCC[C@@H](C)[NH3+])cc1Cl ZINC000183137830 280230137 /nfs/dbraw/zinc/23/01/37/280230137.db2.gz ASLYIIHUWCGPTK-SSDOTTSWSA-N 1 0 311.234 2.317 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246630743 280250707 /nfs/dbraw/zinc/25/07/07/280250707.db2.gz KHXFRERIJPUGPQ-GVDBMIGSSA-N 1 0 323.481 2.461 10 0 DEAERO CC[C@H]1CN(C(=O)C2(c3ccccc3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000246704897 288255071 /nfs/dbraw/zinc/25/50/71/288255071.db2.gz CKJLYGKWJOMYIO-RDJZCZTQSA-N 1 0 316.445 2.022 10 0 DEAERO CC(C)c1nnc(CN2CCC[C@@H]2C[NH+]2CCCCC2)n1C ZINC000170784603 280709197 /nfs/dbraw/zinc/70/91/97/280709197.db2.gz XNICIDSIKAIYEK-OAHLLOKOSA-N 1 0 305.470 2.389 10 0 DEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H]1[C@H]3CCO[C@H]3C13CCC3)CC2 ZINC000194145027 280732124 /nfs/dbraw/zinc/73/21/24/280732124.db2.gz MWQCDLLUUHTOAQ-LQKXBSAESA-N 1 0 316.449 2.264 10 0 DEAERO CC[C@H]1CN(C(=O)[C@@H](C)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000131414882 281139995 /nfs/dbraw/zinc/13/99/95/281139995.db2.gz TWSYWBKKFHYZCR-VYDXJSESSA-N 1 0 304.434 2.094 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(F)c1 ZINC000173827858 288313085 /nfs/dbraw/zinc/31/30/85/288313085.db2.gz OIAVGKOOHYHIFW-UONOGXRCSA-N 1 0 312.410 2.073 10 0 DEAERO CC(C)C[C@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000073676583 281545229 /nfs/dbraw/zinc/54/52/29/281545229.db2.gz AYMUXXUBKADUGN-MRXNPFEDSA-N 1 0 311.470 2.176 10 0 DEAERO C[C@@H]1CCC[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000079392018 281589985 /nfs/dbraw/zinc/58/99/85/281589985.db2.gz SKQGLKLZRFPNFO-CVEARBPZSA-N 1 0 311.470 2.319 10 0 DEAERO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H](C)CO)CC1 ZINC000080148857 281595858 /nfs/dbraw/zinc/59/58/58/281595858.db2.gz CADNJKSUJMYGHA-CABCVRRESA-N 1 0 313.486 2.061 10 0 DEAERO Cc1csc(=O)n1CC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128312252 281711574 /nfs/dbraw/zinc/71/15/74/281711574.db2.gz MKUCQPABUMXXPU-UONOGXRCSA-N 1 0 306.435 2.188 10 0 DEAERO COc1cccc(OCC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000130168560 281932553 /nfs/dbraw/zinc/93/25/53/281932553.db2.gz NEMAFYROODZZJD-UHFFFAOYSA-N 1 0 320.433 2.311 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@H](CC)[C@@H]2CCCO2)CC1 ZINC000133052734 282006526 /nfs/dbraw/zinc/00/65/26/282006526.db2.gz 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CCOC(=O)[C@@H](CC(C)C)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000248449991 535442960 /nfs/dbraw/zinc/44/29/60/535442960.db2.gz XUMGXGFYVMLGGP-HZPDHXFCSA-N 1 0 314.470 2.007 10 0 DEAERO CCO[C@@H]1C[C@](O)(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1(C)C ZINC000189425613 535544208 /nfs/dbraw/zinc/54/42/08/535544208.db2.gz YMEXVSZVXJJYCK-RGQDEETRSA-N 1 0 323.477 2.490 10 0 DEAERO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000253355386 535594335 /nfs/dbraw/zinc/59/43/35/535594335.db2.gz ASYGUDOANWNNEW-PBHICJAKSA-N 1 0 315.454 2.074 10 0 DEAERO CCOC(=O)c1csc([C@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)n1 ZINC000261986681 535730903 /nfs/dbraw/zinc/73/09/03/535730903.db2.gz JVWPTIRPKKBTSR-CJNGLKHVSA-N 1 0 323.462 2.456 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](OC)c1ccccc1 ZINC000246528695 535875173 /nfs/dbraw/zinc/87/51/73/535875173.db2.gz INHFOXZVISUGAM-IKGGRYGDSA-N 1 0 302.418 2.459 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)cc(OC)c1O ZINC000247202430 535875250 /nfs/dbraw/zinc/87/52/50/535875250.db2.gz XEOFHRAFMGQJMJ-KGLIPLIRSA-N 1 0 318.417 2.408 10 0 DEAERO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)NCc1ccc(Cl)s1 ZINC000189646224 536082917 /nfs/dbraw/zinc/08/29/17/536082917.db2.gz AKLQVCXRGDLMJU-AWEZNQCLSA-N 1 0 316.854 2.255 10 0 DEAERO C[NH2+][C@@H](C)CNC(=O)c1cccc(OCc2c(C)noc2C)c1 ZINC000261682848 536343297 /nfs/dbraw/zinc/34/32/97/536343297.db2.gz HSFXWFXRLMLFHL-NSHDSACASA-N 1 0 317.389 2.208 10 0 DEAERO C[N@@H+]1CCCC12CCN(C(=O)Cn1ncc3ccccc31)CC2 ZINC000371493355 536352691 /nfs/dbraw/zinc/35/26/91/536352691.db2.gz PAIRTKBUQCEMMZ-UHFFFAOYSA-N 1 0 312.417 2.123 10 0 DEAERO COc1ccc(F)c(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261948272 536608054 /nfs/dbraw/zinc/60/80/54/536608054.db2.gz VXHIYOGAIUSORR-FABXCBLPSA-N 1 0 322.380 2.305 10 0 DEAERO COc1cc(C2(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)ccc1C ZINC000449714551 536719654 /nfs/dbraw/zinc/71/96/54/536719654.db2.gz HCUSUYLZIXWNFL-DZGCQCFKSA-N 1 0 302.418 2.279 10 0 DEAERO COc1cc([C@H]2[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)ccc1O ZINC000536952606 563889808 /nfs/dbraw/zinc/88/98/08/563889808.db2.gz DLNXXEBQTYULFU-FZMZJTMJSA-N 1 0 308.378 2.410 10 0 DEAERO CCN1CC[NH+]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000685952293 568422177 /nfs/dbraw/zinc/42/21/77/568422177.db2.gz DDRRFSIGISUUOZ-HNNXBMFYSA-N 1 0 311.470 2.414 10 0 DEAERO CCN1CCCC[C@H]1C(=O)O[C@H]1CCN(CC(F)(F)F)C1 ZINC000185131809 625360392 /nfs/dbraw/zinc/36/03/92/625360392.db2.gz AYBMXHFEWLMGEB-RYUDHWBXSA-N 1 0 308.344 2.041 10 0 DEAERO CC(C)(C)OC(=O)NC/C=C\C[NH2+]C1CCN(C2CC2)CC1 ZINC000310008657 625391665 /nfs/dbraw/zinc/39/16/65/625391665.db2.gz JDKDKKAPAFNJEA-PLNGDYQASA-N 1 0 309.454 2.284 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000187982376 625440120 /nfs/dbraw/zinc/44/01/20/625440120.db2.gz GJGYSLVFVPMXKL-GWCFXTLKSA-N 1 0 315.797 2.017 10 0 DEAERO C[C@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000049645469 622716406 /nfs/dbraw/zinc/71/64/06/622716406.db2.gz MHKIBTNWPDLGKU-IUCAKERBSA-N 1 0 308.856 2.134 10 0 DEAERO CC1(C)CCN(S(=O)(=O)C[C@@H]([NH3+])C2CCCCC2)CC1 ZINC000757153377 623202011 /nfs/dbraw/zinc/20/20/11/623202011.db2.gz OSEVBUCGFAHXDM-CQSZACIVSA-N 1 0 302.484 2.346 10 0 DEAERO C[C@@H]1CCCN(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)[C@@H]1C[NH3+] ZINC000255128194 623556052 /nfs/dbraw/zinc/55/60/52/623556052.db2.gz DBTAKGQLCQBMBU-YANQBMCKSA-N 1 0 324.428 2.471 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000290263283 624158115 /nfs/dbraw/zinc/15/81/15/624158115.db2.gz DBAXNILXTVUWFQ-JSGCOSHPSA-N 1 0 303.406 2.338 10 0 DEAERO C/C=C(/C)C[N@H+]1CCC[C@@H](N2CCN(C(=O)OCC)CC2)C1 ZINC000096797901 624158203 /nfs/dbraw/zinc/15/82/03/624158203.db2.gz LRXMVVXBTZSRTO-KUJWUYCRSA-N 1 0 309.454 2.191 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000187982439 624570500 /nfs/dbraw/zinc/57/05/00/624570500.db2.gz GJGYSLVFVPMXKL-ZWNOBZJWSA-N 1 0 315.797 2.017 10 0 DEAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000311963638 625062542 /nfs/dbraw/zinc/06/25/42/625062542.db2.gz LWFKBYIJDCYISD-SQPJIWFQSA-N 1 0 300.811 2.062 10 0 DEAERO CC(C)[C@H](C(=O)OC[C@H]1CC(=O)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000162813687 625215994 /nfs/dbraw/zinc/21/59/94/625215994.db2.gz JZDQUZGNGIACES-WMLDXEAASA-N 1 0 322.449 2.051 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1nc(C(C)C)n(C)c1=S ZINC000177163931 625868400 /nfs/dbraw/zinc/86/84/00/625868400.db2.gz TVYKUKSAULBPDS-CYBMUJFWSA-N 1 0 311.499 2.448 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000248946980 636225953 /nfs/dbraw/zinc/22/59/53/636225953.db2.gz DPBYRWKUWYCCHK-BZUAXINKSA-N 1 0 307.482 2.397 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000237005692 636232017 /nfs/dbraw/zinc/23/20/17/636232017.db2.gz FMHJLGOIFKDGHA-IAQYHMDHSA-N 1 0 305.422 2.445 10 0 DEAERO COc1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc2occc21 ZINC000222571334 636363002 /nfs/dbraw/zinc/36/30/02/636363002.db2.gz NHVHWYMZIYVHRQ-AWEZNQCLSA-N 1 0 300.358 2.265 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=S)Nc2cc(OC)ccc2OC)C1 ZINC000726469705 636434319 /nfs/dbraw/zinc/43/43/19/636434319.db2.gz QPANISIWQVCFDH-LBPRGKRZSA-N 1 0 323.462 2.332 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc3[nH]c(C)nc32)[C@H](C)C1 ZINC000333322909 636796936 /nfs/dbraw/zinc/79/69/36/636796936.db2.gz XFNHLZWZRCYQOY-BXUZGUMPSA-N 1 0 315.421 2.069 10 0 DEAERO COC(=O)CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237143931 636997878 /nfs/dbraw/zinc/99/78/78/636997878.db2.gz CCSPUDSPPWNMOP-KKUMJFAQSA-N 1 0 310.438 2.147 10 0 DEAERO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)C2 ZINC000262023971 637027946 /nfs/dbraw/zinc/02/79/46/637027946.db2.gz WVESWYUBVQJQQB-WJFTUGDTSA-N 1 0 300.446 2.291 10 0 DEAERO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C/C=C(\C)C(=O)OC)C1 ZINC000746501450 638350530 /nfs/dbraw/zinc/35/05/30/638350530.db2.gz LSHALLSWSXDMHK-WMHHWXMBSA-N 1 0 310.438 2.123 10 0 DEAERO CC(=O)N(C)C1CC[NH+](C[C@H](O)c2ccc(F)cc2C)CC1 ZINC000746662974 638367329 /nfs/dbraw/zinc/36/73/29/638367329.db2.gz JKDBFECBKDKUKP-KRWDZBQOSA-N 1 0 308.397 2.110 10 0 DEAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747556850 638450474 /nfs/dbraw/zinc/45/04/74/638450474.db2.gz LDMVSLIOIDHULC-UKRRQHHQSA-N 1 0 307.442 2.487 10 0 DEAERO C[N@@H+]1CC[C@@H](C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000749050972 638611001 /nfs/dbraw/zinc/61/10/01/638611001.db2.gz RDCGCHCMRFWXSX-MRVPVSSYSA-N 1 0 312.295 2.472 10 0 DEAERO CN(C)c1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000749455428 638650794 /nfs/dbraw/zinc/65/07/94/638650794.db2.gz VJCKBSVJHRXAIR-CHWSQXEVSA-N 1 0 324.856 2.404 10 0 DEAERO COC(=O)/C(C)=C/C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000750064462 638708276 /nfs/dbraw/zinc/70/82/76/638708276.db2.gz LYGLVYAPOOAUKV-CQMBDMNQSA-N 1 0 311.422 2.156 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000751435953 639081278 /nfs/dbraw/zinc/08/12/78/639081278.db2.gz PYXWRSLYFZRPEC-SJORKVTESA-N 1 0 324.465 2.047 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cc(C(C)C)nc3onc(C)c32)CC1 ZINC000179136390 640471060 /nfs/dbraw/zinc/47/10/60/640471060.db2.gz XUAVYTOLTOSEFW-UHFFFAOYSA-N 1 0 316.405 2.479 10 0 DEAERO CC(=O)OCC(C)(C)CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000805332254 640901015 /nfs/dbraw/zinc/90/10/15/640901015.db2.gz OVBVHMSOBIKXHM-HIFRSBDPSA-N 1 0 310.438 2.051 10 0 DEAERO CCCn1ncc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1C1CC1 ZINC000093989771 641436010 /nfs/dbraw/zinc/43/60/10/641436010.db2.gz TZGDHFJSLVRQQK-ZIAGYGMSSA-N 1 0 304.438 2.383 10 0 DEAERO CC[C@@H]1CN(C[C@H](O)c2cc(C)cc(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174782200 645191963 /nfs/dbraw/zinc/19/19/63/645191963.db2.gz VEFCEHRBAXHPQE-QRQLOZEOSA-N 1 0 320.477 2.114 10 0 DEAERO O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000800968619 645325041 /nfs/dbraw/zinc/32/50/41/645325041.db2.gz USUXCTJGKKGNLV-DLBZAZTESA-N 1 0 322.474 2.274 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)c1cc(C)cc(C)c1 ZINC000801532687 645410141 /nfs/dbraw/zinc/41/01/41/645410141.db2.gz CWKXPPKVKJZSTG-DLBZAZTESA-N 1 0 304.434 2.327 10 0 DEAERO C[Si](C)(C)c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000801944182 645467316 /nfs/dbraw/zinc/46/73/16/645467316.db2.gz QVLZJUNAPAKZNK-HNNXBMFYSA-N 1 0 300.482 2.270 10 0 DEAERO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000802621649 645536866 /nfs/dbraw/zinc/53/68/66/645536866.db2.gz JGLVHTQKTWGBTL-LBPRGKRZSA-N 1 0 308.397 2.022 10 0 DEAERO CCCN(CC[NH+]1CCCC1)C(=O)c1ccnc2[nH]c(C)nc21 ZINC000804441493 645771352 /nfs/dbraw/zinc/77/13/52/645771352.db2.gz DPRIFSYGJKYMGP-UHFFFAOYSA-N 1 0 315.421 2.214 10 0 DEAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(F)c(Br)c1 ZINC000757184680 645937634 /nfs/dbraw/zinc/93/76/34/645937634.db2.gz MIQIWFAVYKHPIA-RKDXNWHRSA-N 1 0 302.143 2.064 10 0 DEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1csc(Br)c1 ZINC000757192155 645940423 /nfs/dbraw/zinc/94/04/23/645940423.db2.gz VWILSQYEXUTOPU-BDAKNGLRSA-N 1 0 304.209 2.377 10 0 DEAERO O=C(Nc1cnn([C@H]2CCCCO2)c1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000912570494 646105758 /nfs/dbraw/zinc/10/57/58/646105758.db2.gz SZRISAMUERHJSS-CVEARBPZSA-N 1 0 318.421 2.395 10 0 DEAERO CC(C)Nc1ncnc2c1ncn2C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000151175003 646287568 /nfs/dbraw/zinc/28/75/68/646287568.db2.gz BHASFZBNKDEFSE-BETUJISGSA-N 1 0 300.410 2.336 10 0 DEAERO Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000230685107 646743494 /nfs/dbraw/zinc/74/34/94/646743494.db2.gz PMFIAXJMVPDVQC-TZMCWYRMSA-N 1 0 308.426 2.203 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)/C=C/c2ccccc2)CC[N@@H+]1C ZINC000173277113 646764843 /nfs/dbraw/zinc/76/48/43/646764843.db2.gz XJRFVWBOBRTAOG-SPBMYTGYSA-N 1 0 308.447 2.402 10 0 DEAERO CC(C)C[C@H](CO)[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000232623314 646815799 /nfs/dbraw/zinc/81/57/99/646815799.db2.gz GDHLBAKWIOFKMC-KGLIPLIRSA-N 1 0 300.443 2.383 10 0 DEAERO O=C1OCCN1CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000731103790 647447296 /nfs/dbraw/zinc/44/72/96/647447296.db2.gz IJUCVMLVCNBOMN-INIZCTEOSA-N 1 0 309.454 2.027 10 0 DEAERO C[C@H]1CN(C(=O)c2cc(Cl)nc(Cl)c2)C[C@H]1[NH+](C)C ZINC000089710339 647968972 /nfs/dbraw/zinc/96/89/72/647968972.db2.gz QOLAOBTZZZNYPR-WCBMZHEXSA-N 1 0 302.205 2.411 10 0 DEAERO CCn1c(-c2ccco2)nn(CN2CC[C@H]([NH+](C)C)C2)c1=S ZINC000170843346 648354117 /nfs/dbraw/zinc/35/41/17/648354117.db2.gz YECFLEAZUFJHKR-LBPRGKRZSA-N 1 0 321.450 2.287 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccnc2SC(F)(F)F)C1 ZINC000170855043 648399962 /nfs/dbraw/zinc/39/99/62/648399962.db2.gz HOEUTGNTABNGHN-VIFPVBQESA-N 1 0 319.352 2.470 10 0 DEAERO CCOC(=O)C1(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000181071071 648543544 /nfs/dbraw/zinc/54/35/44/648543544.db2.gz DBEPSTKFTCGWDH-OAHLLOKOSA-N 1 0 317.385 2.147 10 0 DEAERO C[C@@H]1CCC[C@H](CCNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000070549770 648946813 /nfs/dbraw/zinc/94/68/13/648946813.db2.gz JJWLPXHDHKFZCO-ZIAGYGMSSA-N 1 0 302.484 2.122 10 0 DEAERO O[C@@H](C[NH2+]CCOc1cccc(Br)c1)C1CC1 ZINC000071304619 649079690 /nfs/dbraw/zinc/07/96/90/649079690.db2.gz PEHYXXQGFVXUKN-ZDUSSCGKSA-N 1 0 300.196 2.188 10 0 DEAERO COc1ccc(CC(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000071815746 649212886 /nfs/dbraw/zinc/21/28/86/649212886.db2.gz SXHOPONOGLUTEC-KRWDZBQOSA-N 1 0 321.417 2.138 10 0 DEAERO CC(=O)N1CCC([NH2+]Cc2nc(-c3ccncc3)cs2)CC1 ZINC000733331606 649546254 /nfs/dbraw/zinc/54/62/54/649546254.db2.gz DVOXCPGWWWSUCQ-UHFFFAOYSA-N 1 0 316.430 2.306 10 0 DEAERO Cc1nc(C)c(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000073184237 649656402 /nfs/dbraw/zinc/65/64/02/649656402.db2.gz GSCJQOSPXOXPIS-CYBMUJFWSA-N 1 0 312.435 2.274 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000111715975 652618635 /nfs/dbraw/zinc/61/86/35/652618635.db2.gz OXORHJHRICKEBD-GHMZBOCLSA-N 1 0 318.389 2.247 10 0 DEAERO [NH3+]C[C@H]1CCCN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000381474785 685400927 /nfs/dbraw/zinc/40/09/27/685400927.db2.gz VLNRTEKXCHFGJH-FNOHHLHBSA-N 1 0 300.811 2.064 10 0 DEAERO COC(=O)/C(C)=C/CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000382562587 685403893 /nfs/dbraw/zinc/40/38/93/685403893.db2.gz XVJTYQSVYFSUEL-HTRKUNOGSA-N 1 0 302.418 2.312 10 0 DEAERO CO[C@H]1CCC[C@@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000383517716 685407379 /nfs/dbraw/zinc/40/73/79/685407379.db2.gz MVJTUJSSOMDDBK-NEPJUHHUSA-N 1 0 302.216 2.193 10 0 DEAERO CCCn1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000116917643 684066153 /nfs/dbraw/zinc/06/61/53/684066153.db2.gz DJEHPECLBWIVQS-CQSZACIVSA-N 1 0 308.426 2.392 10 0 DEAERO COCC[N@@H+]1CCN(Cn2ccc(-c3ccccc3)n2)C[C@@H]1C ZINC000117323499 684068210 /nfs/dbraw/zinc/06/82/10/684068210.db2.gz IDVULPXJLSRCAD-INIZCTEOSA-N 1 0 314.433 2.160 10 0 DEAERO Cc1nnc(COC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)n1C1CC1 ZINC000120775400 684100811 /nfs/dbraw/zinc/10/08/11/684100811.db2.gz JUBQGNIAZIFIJN-MRXNPFEDSA-N 1 0 320.437 2.475 10 0 DEAERO S=c1n(CN2CC[NH+](C3CC3)CC2)nc(C2CC2)n1C1CC1 ZINC000129085583 684175717 /nfs/dbraw/zinc/17/57/17/684175717.db2.gz RBPAGUYKGKKFGO-UHFFFAOYSA-N 1 0 319.478 2.364 10 0 DEAERO O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000130137836 684185822 /nfs/dbraw/zinc/18/58/22/684185822.db2.gz BIMIJDIQKDPUOW-USXIJHARSA-N 1 0 302.418 2.101 10 0 DEAERO CC[NH+](CC)CC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000130892865 684194239 /nfs/dbraw/zinc/19/42/39/684194239.db2.gz ULYSHJFYPBFKNA-UHFFFAOYSA-N 1 0 317.433 2.162 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccnc(Br)c2)C1 ZINC000135385400 684235133 /nfs/dbraw/zinc/23/51/33/684235133.db2.gz WZXBOGCWZBIQRT-NSHDSACASA-N 1 0 312.211 2.058 10 0 DEAERO CN1C[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CCC1=O ZINC000187402966 684336710 /nfs/dbraw/zinc/33/67/10/684336710.db2.gz NSJYIIAZNATLKB-CQSZACIVSA-N 1 0 304.390 2.042 10 0 DEAERO O=C1OCCN1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000187814569 684343886 /nfs/dbraw/zinc/34/38/86/684343886.db2.gz OWNWSDBEWFXZGD-UHFFFAOYSA-N 1 0 313.741 2.180 10 0 DEAERO CC[C@@]1(C)CN(Cn2cnc3c2ncnc3NC(C)C)CCO1 ZINC000190349376 684403864 /nfs/dbraw/zinc/40/38/64/684403864.db2.gz YGDWCHUQDIONID-INIZCTEOSA-N 1 0 318.425 2.105 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192577957 684453222 /nfs/dbraw/zinc/45/32/22/684453222.db2.gz BUYJAORCVWUDOS-OIISXLGYSA-N 1 0 303.402 2.477 10 0 DEAERO CC(C)C[NH+]1CCN(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000195199614 685089694 /nfs/dbraw/zinc/08/96/94/685089694.db2.gz PCXIDXMHOXBRNO-OAHLLOKOSA-N 1 0 303.406 2.103 10 0 DEAERO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H](O)c1cc(C)cc(C)c1 ZINC000245435941 685111221 /nfs/dbraw/zinc/11/12/21/685111221.db2.gz QTHCJSPSGIDAHT-HZPDHXFCSA-N 1 0 323.458 2.317 10 0 DEAERO CCCn1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cn1 ZINC000246081829 685122528 /nfs/dbraw/zinc/12/25/28/685122528.db2.gz UANRMTFXIOEGRB-HIFRSBDPSA-N 1 0 307.442 2.487 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CSCCS2)[C@@H](C)C1 ZINC000246578505 685132683 /nfs/dbraw/zinc/13/26/83/685132683.db2.gz FXTOPOUMZREEFT-IHRRRGAJSA-N 1 0 316.536 2.414 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000246750285 685135725 /nfs/dbraw/zinc/13/57/25/685135725.db2.gz PFHUPFFMRHUEJD-SJLPKXTDSA-N 1 0 314.433 2.341 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000247457440 685148584 /nfs/dbraw/zinc/14/85/84/685148584.db2.gz HZNALMYYOHFDGB-NVXWUHKLSA-N 1 0 305.418 2.422 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1nc(Cl)nc2nc[nH]c21 ZINC000252837548 685194561 /nfs/dbraw/zinc/19/45/61/685194561.db2.gz YHRIHFYIDRDJIE-UWVGGRQHSA-N 1 0 306.801 2.069 10 0 DEAERO CC(=O)N1C[C@H]([NH2+][C@@H]2CCCOCC2)CC[C@@H]1C(F)(F)F ZINC000886031605 691988319 /nfs/dbraw/zinc/98/83/19/691988319.db2.gz CULUCRQMVLHNLV-JHJVBQTASA-N 1 0 308.344 2.087 10 0 DEAERO CCN1C(=O)C[C@@H](CNc2cc[nH+]c(C)c2)[C@@H]1c1cccnc1 ZINC000886082042 691999618 /nfs/dbraw/zinc/99/96/18/691999618.db2.gz XZUUSILBNFMSGB-YJBOKZPZSA-N 1 0 310.401 2.229 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1C ZINC000722594171 776538645 /nfs/dbraw/zinc/53/86/45/776538645.db2.gz RHQBPSQBBCHJTP-VXGBXAGGSA-N 1 0 302.465 2.079 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000722596651 776544341 /nfs/dbraw/zinc/54/43/41/776544341.db2.gz LTFYFXFAHMBFLR-OLZOCXBDSA-N 1 0 314.476 2.046 10 0 DEAERO CN1C[C@H](CC[NH2+]Cc2csc(Br)c2)CC1=O ZINC000723550885 777121609 /nfs/dbraw/zinc/12/16/09/777121609.db2.gz DFPNDAPEOYIQHG-SECBINFHSA-N 1 0 317.252 2.469 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2cscc2Br)CC1=O ZINC000723563174 777125053 /nfs/dbraw/zinc/12/50/53/777125053.db2.gz QLUHJPZSODDZDZ-QMMMGPOBSA-N 1 0 303.225 2.079 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CCN1C ZINC000724036826 777225218 /nfs/dbraw/zinc/22/52/18/777225218.db2.gz QKDMZLFKEXNGII-OPRDCNLKSA-N 1 0 304.303 2.007 10 0 DEAERO CN(C)C1(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CCC1 ZINC000724035798 777226018 /nfs/dbraw/zinc/22/60/18/777226018.db2.gz GFJLWHLMXREUBQ-SECBINFHSA-N 1 0 304.303 2.009 10 0 DEAERO CC[C@H](C)N(C)CC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724041275 777227849 /nfs/dbraw/zinc/22/78/49/777227849.db2.gz NCHYLSSQLOEKCW-UWVGGRQHSA-N 1 0 306.319 2.255 10 0 DEAERO C[C@@](O)(C[NH2+][C@H]1COC2(CCC2)C1)C(F)(F)C(F)(F)F ZINC000724106097 777241698 /nfs/dbraw/zinc/24/16/98/777241698.db2.gz SMTXUDNYDWQHMC-RKDXNWHRSA-N 1 0 303.271 2.236 10 0 DEAERO CCOC[C@H]1CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724113659 777243968 /nfs/dbraw/zinc/24/39/68/777243968.db2.gz GAAOOZWSTJBOBC-UWVGGRQHSA-N 1 0 305.287 2.293 10 0 DEAERO C[C@H](CCOCc1ccccc1)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724629154 777411674 /nfs/dbraw/zinc/41/16/74/777411674.db2.gz QPSHZNPFKLKTQG-BGTYHANMSA-N 1 0 305.418 2.375 10 0 DEAERO CO[C@H]1CCC[C@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000724668545 777453034 /nfs/dbraw/zinc/45/30/34/777453034.db2.gz FJZFZIFHUTWDQX-MJBXVCDLSA-N 1 0 314.426 2.475 10 0 DEAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC23CC(O)C3)CN1C(=O)OC(C)(C)C ZINC000724911676 777516677 /nfs/dbraw/zinc/51/66/77/777516677.db2.gz GKFNWNUYHYPZLJ-QBMKOXDISA-N 1 0 310.438 2.277 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000724915358 777519091 /nfs/dbraw/zinc/51/90/91/777519091.db2.gz SUSCHUFEVRNYKP-DGCLKSJQSA-N 1 0 306.410 2.386 10 0 DEAERO CO[C@@]1(C[NH2+][C@H]2CCCCCC2(C)C)CCS(=O)(=O)C1 ZINC000721240595 781736161 /nfs/dbraw/zinc/73/61/61/781736161.db2.gz AUXVXROEGWMPNN-DZGCQCFKSA-N 1 0 303.468 2.139 10 0 DEAERO Brc1cncc(-c2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)c1 ZINC000721180012 784170774 /nfs/dbraw/zinc/17/07/74/784170774.db2.gz TXJHMZFRDBONBU-OUAUKWLOSA-N 1 0 321.178 2.217 10 0 DEAERO Cc1nc2c(cnn2C)c(N[C@@H](C)C[NH+]2CCCCCC2)n1 ZINC000185964009 784336197 /nfs/dbraw/zinc/33/61/97/784336197.db2.gz IAGCEYSYAWWNDB-LBPRGKRZSA-N 1 0 302.426 2.348 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)n1 ZINC000186261027 784368997 /nfs/dbraw/zinc/36/89/97/784368997.db2.gz CYPNDNYEVGBSDW-HOCLYGCPSA-N 1 0 306.454 2.442 10 0 DEAERO Cc1sc2[nH]c([C@@H](C)[N@H+](C)CC3CC(O)C3)nc(=O)c2c1C ZINC000190143702 786141355 /nfs/dbraw/zinc/14/13/55/786141355.db2.gz XYTGWBJMOFBPLF-OIKLOGQESA-N 1 0 321.446 2.365 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000721891864 787323659 /nfs/dbraw/zinc/32/36/59/787323659.db2.gz VARJUFYMMQYFME-MEJMFZKBSA-N 1 0 314.838 2.228 10 0 DEAERO Cn1cnc(CC[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000724091127 787349111 /nfs/dbraw/zinc/34/91/11/787349111.db2.gz IYPBDLXZFYAZSM-KBPBESRZSA-N 1 0 322.453 2.246 10 0 DEAERO CC(C)(COCc1ccccc1)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724636803 787352020 /nfs/dbraw/zinc/35/20/20/787352020.db2.gz QCTJXDBGWYEYDU-IKGGRYGDSA-N 1 0 305.418 2.375 10 0 DEAERO CC(C)(COCc1ccccc1)[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724636805 787352144 /nfs/dbraw/zinc/35/21/44/787352144.db2.gz QCTJXDBGWYEYDU-ULQDDVLXSA-N 1 0 305.418 2.375 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000397861153 790227426 /nfs/dbraw/zinc/22/74/26/790227426.db2.gz FCKGFNGGFAOBGR-UHFFFAOYSA-N 1 0 320.389 2.372 10 0 DEAERO Cn1cc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)n1 ZINC000712433794 792186755 /nfs/dbraw/zinc/18/67/55/792186755.db2.gz JLUSNHIZDMDZMR-NSHDSACASA-N 1 0 315.259 2.145 10 0 DEAERO CCN1CC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000712597649 792191985 /nfs/dbraw/zinc/19/19/85/792191985.db2.gz ZDLXEFYQCORFPN-VGWMRTNUSA-N 1 0 323.481 2.458 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000712610192 792193927 /nfs/dbraw/zinc/19/39/27/792193927.db2.gz XTQVSWVNVCYSGE-RBSFLKMASA-N 1 0 311.470 2.458 10 0 DEAERO CN1CC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000712573099 792201789 /nfs/dbraw/zinc/20/17/89/792201789.db2.gz QSZDFXAJRZSUNB-XQLPTFJDSA-N 1 0 309.454 2.068 10 0 DEAERO OCC[N@@H+](Cc1ccccc1)C[C@H]1CC2(CO1)CCOCC2 ZINC000712695315 792203558 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ZINC000714987001 792364507 /nfs/dbraw/zinc/36/45/07/792364507.db2.gz ULQROENRVBOCNX-LSDHHAIUSA-N 1 0 300.468 2.113 10 0 DEAERO O=C(c1coc(Br)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000714988722 792365366 /nfs/dbraw/zinc/36/53/66/792365366.db2.gz QWWZHIZIKZDAKK-KOLCDFICSA-N 1 0 313.195 2.256 10 0 DEAERO C[C@@H]([NH2+]CC[C@H]1CCCS1)c1cccc(S(N)(=O)=O)c1 ZINC000715627839 792481646 /nfs/dbraw/zinc/48/16/46/792481646.db2.gz XZYBSYOXRFEFJM-DGCLKSJQSA-N 1 0 314.476 2.270 10 0 DEAERO O=C(NCCc1cccc(Br)c1)C12CC[NH+](CC1)C2 ZINC000715861758 792529458 /nfs/dbraw/zinc/52/94/58/792529458.db2.gz DXGIULZEUHXJOJ-UHFFFAOYSA-N 1 0 323.234 2.204 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000716044642 792554925 /nfs/dbraw/zinc/55/49/25/792554925.db2.gz UWJYHLTVBQIPES-CPIKKWJDSA-N 1 0 303.493 2.218 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000716547951 792978442 /nfs/dbraw/zinc/97/84/42/792978442.db2.gz VTTDPLJIRDZGMK-MRVPVSSYSA-N 1 0 315.211 2.468 10 0 DEAERO COCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619790 792978485 /nfs/dbraw/zinc/97/84/85/792978485.db2.gz HWCXXLAXXNRPHY-OKYOBFRVSA-N 1 0 318.461 2.027 10 0 DEAERO COC[C@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619641 792979565 /nfs/dbraw/zinc/97/95/65/792979565.db2.gz GMHMIQFDRWBCAR-OKYOBFRVSA-N 1 0 318.461 2.027 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC[C@@H](O)C(F)F)C1(C)C ZINC000716753903 793005342 /nfs/dbraw/zinc/00/53/42/793005342.db2.gz PETKSLDUXISEIN-OUAUKWLOSA-N 1 0 322.396 2.284 10 0 DEAERO CC[C@H](C[C@@H](C)O)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000716855366 793009735 /nfs/dbraw/zinc/00/97/35/793009735.db2.gz WMACLXHLBSSNGF-SYQHCUMBSA-N 1 0 300.443 2.429 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCOCC2)[C@H]1c1ccccc1 ZINC000245640540 797935475 /nfs/dbraw/zinc/93/54/75/797935475.db2.gz YTNQZWWUOFOIGF-IXDOHACOSA-N 1 0 317.433 2.300 10 0 DEAERO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)C1 ZINC000246200005 798145355 /nfs/dbraw/zinc/14/53/55/798145355.db2.gz ONULWSBNVQJHSB-ZLENFMNRSA-N 1 0 301.390 2.019 10 0 DEAERO Cc1nn(C)c(Cl)c1CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717150944 799256597 /nfs/dbraw/zinc/25/65/97/799256597.db2.gz FTVIXCILBCHWHS-VHSXEESVSA-N 1 0 310.751 2.093 10 0 DEAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000717546935 799424710 /nfs/dbraw/zinc/42/47/10/799424710.db2.gz JECQXUHKIJCDGD-OCCSQVGLSA-N 1 0 302.484 2.215 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401670565 801839700 /nfs/dbraw/zinc/83/97/00/801839700.db2.gz BBEITRWNDSEETF-ZFWWWQNUSA-N 1 0 322.453 2.198 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1 ZINC000404763004 802029427 /nfs/dbraw/zinc/02/94/27/802029427.db2.gz KESXXIFKWSYVDU-KGLIPLIRSA-N 1 0 322.453 2.473 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1 ZINC000404763006 802029542 /nfs/dbraw/zinc/02/95/42/802029542.db2.gz KESXXIFKWSYVDU-UONOGXRCSA-N 1 0 322.453 2.473 10 0 DEAERO C[C@H](CCC1CC1)[NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000186305542 802040017 /nfs/dbraw/zinc/04/00/17/802040017.db2.gz LKGSULWTKZJRQB-KZULUSFZSA-N 1 0 315.417 2.410 10 0 DEAERO C[C@@H]1OC[C@@H]([NH2+]CCCn2cc(Br)cn2)[C@@H]1C ZINC000405649481 802076209 /nfs/dbraw/zinc/07/62/09/802076209.db2.gz QJIHOYPCACTYGM-JFGNBEQYSA-N 1 0 302.216 2.049 10 0 DEAERO CCOc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2)cn1 ZINC000053349857 1078569153 /nfs/dbraw/zinc/56/91/53/1078569153.db2.gz GPACSYGERWDIAL-UHFFFAOYSA-N 1 0 313.401 2.342 10 0 DEAERO Brc1cccnc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719024537 1091828594 /nfs/dbraw/zinc/82/85/94/1091828594.db2.gz PJODVBIQXPDXFQ-SNVBAGLBSA-N 1 0 313.195 2.039 10 0 DEAERO CC[C@H]1CN(S(=O)(=O)CCC(C)(C)C2CC2)CC[C@@H]1[NH3+] ZINC000717934410 1081802848 /nfs/dbraw/zinc/80/28/48/1081802848.db2.gz DQMCJBDGYMJNAB-JSGCOSHPSA-N 1 0 302.484 2.202 10 0 DEAERO C[C@H](NS(=O)(=O)CCC(C)(C)C1CC1)C1CC[NH2+]CC1 ZINC000718023766 1081864680 /nfs/dbraw/zinc/86/46/80/1081864680.db2.gz QHLNGMZOVSSVGF-LBPRGKRZSA-N 1 0 302.484 2.120 10 0 DEAERO C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)Cc2cccs2)CC1 ZINC000081390912 1082274468 /nfs/dbraw/zinc/27/44/68/1082274468.db2.gz SFCAVPRQWKBASO-AWEZNQCLSA-N 1 0 304.459 2.483 10 0 DEAERO CCn1nccc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000723837314 1082397020 /nfs/dbraw/zinc/39/70/20/1082397020.db2.gz UNMJKDGGATWXOB-ZIAGYGMSSA-N 1 0 322.453 2.496 10 0 DEAERO CC[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2Br)CCO1 ZINC000720644799 1085809823 /nfs/dbraw/zinc/80/98/23/1085809823.db2.gz GJQCRVRUQBPIJT-MNOVXSKESA-N 1 0 302.216 2.230 10 0 DEAERO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(F)ccc1Cl ZINC000720836163 1086200375 /nfs/dbraw/zinc/20/03/75/1086200375.db2.gz RPUDOZNDXPVXKX-UHFFFAOYSA-N 1 0 308.806 2.098 10 0 DEAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CCN(C)[C@@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000700748598 1086334155 /nfs/dbraw/zinc/33/41/55/1086334155.db2.gz BPULPXGLKFHHRV-YJNKXOJESA-N 1 0 311.470 2.457 10 0 DEAERO CN1CCC[C@@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000701929858 1086394418 /nfs/dbraw/zinc/39/44/18/1086394418.db2.gz AAZRABQHZMGWDV-XOYHFGRZSA-N 1 0 309.454 2.070 10 0 DEAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cc1cccc(Br)c1)C2 ZINC000703549291 1086515152 /nfs/dbraw/zinc/51/51/52/1086515152.db2.gz HPGKFQREASVHPN-SWLSCSKDSA-N 1 0 323.234 2.060 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(Br)o2)C1 ZINC000704291575 1086577226 /nfs/dbraw/zinc/57/72/26/1086577226.db2.gz QBHRHJQOCIBMFI-NDDURPPSSA-N 1 0 313.195 2.441 10 0 DEAERO [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1Cc2ccccc2CO1 ZINC000704330071 1086578118 /nfs/dbraw/zinc/57/81/18/1086578118.db2.gz JNAVYUYFFWQJIB-GOSISDBHSA-N 1 0 310.397 2.115 10 0 DEAERO C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)[C@H]1CCOC1 ZINC000706535209 1086640899 /nfs/dbraw/zinc/64/08/99/1086640899.db2.gz MIBWYPSSYBQFDQ-ZBUZPQQSSA-N 1 0 310.438 2.401 10 0 DEAERO C[C@@H](CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707941462 1086675181 /nfs/dbraw/zinc/67/51/81/1086675181.db2.gz PACFVYHBRQUNGC-AJNGGQMLSA-N 1 0 312.454 2.383 10 0 DEAERO Cc1nn(C)c(CN(C)CCCCCC[NH3+])c1Br ZINC000710805832 1086689315 /nfs/dbraw/zinc/68/93/15/1086689315.db2.gz VHWQWUQPYGUFBE-UHFFFAOYSA-N 1 0 317.275 2.442 10 0 DEAERO CCN(CCC[NH2+][C@H]1CCC1(OC)OC)C(=O)OC(C)(C)C ZINC000710947042 1086691270 /nfs/dbraw/zinc/69/12/70/1086691270.db2.gz NHIKCOKZENECCK-ZDUSSCGKSA-N 1 0 316.442 2.375 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]CCCCn2ccnc2)C1 ZINC000710934094 1086691616 /nfs/dbraw/zinc/69/16/16/1086691616.db2.gz AEGCOFVSBAMNEQ-UHFFFAOYSA-N 1 0 308.426 2.120 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000710961464 1086692142 /nfs/dbraw/zinc/69/21/42/1086692142.db2.gz RODPVPFVPVDUJI-IAGOWNOFSA-N 1 0 304.434 2.392 10 0 DEAERO CCC[C@@H](CCO)C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710966710 1086692364 /nfs/dbraw/zinc/69/23/64/1086692364.db2.gz YNNJAVOHOFCUAX-ZDUSSCGKSA-N 1 0 300.443 2.242 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000710968976 1086692712 /nfs/dbraw/zinc/69/27/12/1086692712.db2.gz VVUJEXYMAJMMGL-PVAVHDDUSA-N 1 0 304.434 2.391 10 0 DEAERO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1csc(Br)c1 ZINC000711301020 1087049135 /nfs/dbraw/zinc/04/91/35/1087049135.db2.gz JZJQQVNGBQWDKU-VIFPVBQESA-N 1 0 317.252 2.372 10 0 DEAERO O=S(=O)(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccc(F)c(Cl)c1 ZINC000711642939 1087185268 /nfs/dbraw/zinc/18/52/68/1087185268.db2.gz YGNCEFCXKWXQSO-QWHCGFSZSA-N 1 0 318.801 2.042 10 0 DEAERO [NH3+]Cc1nc(CC(=O)NCc2ccc(Cl)s2)cs1 ZINC000718993952 1088749455 /nfs/dbraw/zinc/74/94/55/1088749455.db2.gz NLVIKGJCQRBUEH-UHFFFAOYSA-N 1 0 301.824 2.176 10 0 DEAERO Cc1nc(C[NH2+]C[C@H]2CCCN2C)sc1Br ZINC000719305093 1088944226 /nfs/dbraw/zinc/94/42/26/1088944226.db2.gz LYMJSFCECUBBBT-SECBINFHSA-N 1 0 304.257 2.398 10 0 DEAERO C[N@@H+]1CCN(CCc2cc(Cl)cc(Cl)c2)C[C@H]1CO ZINC000722100213 1089584149 /nfs/dbraw/zinc/58/41/49/1089584149.db2.gz OARRELUWRLQBFZ-AWEZNQCLSA-N 1 0 303.233 2.144 10 0 DEAERO C[C@@H]1[C@@H](Nc2ccc(I)cn2)CC[N@@H+]1C ZINC000719781259 1091512736 /nfs/dbraw/zinc/51/27/36/1091512736.db2.gz KIRCIWKDENIURI-SCZZXKLOSA-N 1 0 317.174 2.191 10 0 DEAERO COCCC[NH2+]Cc1ccccc1I ZINC000379601719 1144373428 /nfs/dbraw/zinc/37/34/28/1144373428.db2.gz MCZGTBHBVOZGAB-UHFFFAOYSA-N 1 0 305.159 2.417 10 0 DEAERO Clc1cc(Br)ccc1C[NH2+]CCn1cncn1 ZINC000381954080 1144385025 /nfs/dbraw/zinc/38/50/25/1144385025.db2.gz XFILAJBUOLODIL-UHFFFAOYSA-N 1 0 315.602 2.484 10 0 DEAERO COCc1c(Br)cccc1NC(=O)CC1C[NH2+]C1 ZINC000081765454 192321431 /nfs/dbraw/zinc/32/14/31/192321431.db2.gz OYEKLBQNNADLTB-UHFFFAOYSA-N 1 0 313.195 2.144 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1Sc1nccc(=O)[nH]1 ZINC000081774708 192322840 /nfs/dbraw/zinc/32/28/40/192322840.db2.gz IJEJQTQCVAOCNR-OCCSQVGLSA-N 1 0 303.387 2.386 10 0 DEAERO CCC[C@@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)[NH+](C)C ZINC000162153280 197548374 /nfs/dbraw/zinc/54/83/74/197548374.db2.gz YPLCCDPPYNBHPW-CVEARBPZSA-N 1 0 317.433 2.029 10 0 DEAERO C[NH2+][C@@H](CSCCC(=O)OC)c1cc(OC)ccc1OC ZINC000081790229 192324224 /nfs/dbraw/zinc/32/42/24/192324224.db2.gz AGWUNHJNMACSGU-ZDUSSCGKSA-N 1 0 313.419 2.261 10 0 DEAERO Cc1cnc(SC[C@H]([NH3+])c2ccc3c(c2)OCCO3)nc1 ZINC000081893956 192334587 /nfs/dbraw/zinc/33/45/87/192334587.db2.gz CBXBTDDRQVXWBX-LBPRGKRZSA-N 1 0 303.387 2.348 10 0 DEAERO CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1Sc1n[nH]c(=O)n1C ZINC000081880697 192334661 /nfs/dbraw/zinc/33/46/61/192334661.db2.gz PAIJHFBPWFPNRR-XQQFMLRXSA-N 1 0 312.483 2.393 10 0 DEAERO COc1ccc(C(=O)Nc2c[nH]nc2[C@H]2CCC[NH2+]C2)cc1 ZINC000095829476 185384117 /nfs/dbraw/zinc/38/41/17/185384117.db2.gz ORFOINQODOOIKQ-LBPRGKRZSA-N 1 0 300.362 2.138 10 0 DEAERO [NH3+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(Br)cc1 ZINC000081933820 192340569 /nfs/dbraw/zinc/34/05/69/192340569.db2.gz DEQFBIQIBIFBGC-RYUDHWBXSA-N 1 0 318.236 2.493 10 0 DEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2n[nH]c3ccc(Cl)cc32)C1 ZINC000278507516 214200286 /nfs/dbraw/zinc/20/02/86/214200286.db2.gz AGLCVLBQBBEQEI-NSHDSACASA-N 1 0 306.797 2.383 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1Br ZINC000081931993 192340712 /nfs/dbraw/zinc/34/07/12/192340712.db2.gz MBIBISLNBXKBIZ-CMPLNLGQSA-N 1 0 318.236 2.493 10 0 DEAERO CCn1ncc(Br)c1[C@](C)(O)C[NH2+]C(C)(C)C ZINC000163513661 197634960 /nfs/dbraw/zinc/63/49/60/197634960.db2.gz CWASXODSGVGJRZ-GFCCVEGCSA-N 1 0 304.232 2.261 10 0 DEAERO O=C(NCC[NH+]1CCC(c2cccs2)CC1)c1ccno1 ZINC000077103897 185108541 /nfs/dbraw/zinc/10/85/41/185108541.db2.gz GCUVUZHZWWEFMD-UHFFFAOYSA-N 1 0 305.403 2.346 10 0 DEAERO COCCn1ncc(Cl)c1C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000164535712 197656115 /nfs/dbraw/zinc/65/61/15/197656115.db2.gz AIFAVDRMZOWIMO-VXGBXAGGSA-N 1 0 313.829 2.391 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccc(N)c(Br)c1 ZINC000078895547 185124664 /nfs/dbraw/zinc/12/46/64/185124664.db2.gz CBSQJAATSDGNPI-UHFFFAOYSA-N 1 0 314.227 2.055 10 0 DEAERO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)CCO2 ZINC000152387564 282143535 /nfs/dbraw/zinc/14/35/35/282143535.db2.gz LUAJGWNRDNFAJY-WFASDCNBSA-N 1 0 304.390 2.119 10 0 DEAERO C[C@H]([NH2+]Cc1c(Br)cnn1C)[C@@H]1CCCCO1 ZINC000278622885 214282035 /nfs/dbraw/zinc/28/20/35/214282035.db2.gz DVZDFJYZASVWCQ-CABZTGNLSA-N 1 0 302.216 2.230 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)CCOC)c1ccc(C)cc1C ZINC000081943825 192344042 /nfs/dbraw/zinc/34/40/42/192344042.db2.gz WJWFAXUFYRDZFS-MRXNPFEDSA-N 1 0 313.463 2.405 10 0 DEAERO CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1S(=O)(=O)CCOC ZINC000081944063 192344624 /nfs/dbraw/zinc/34/46/24/192344624.db2.gz SBBSRDIVTLGXEX-IHRRRGAJSA-N 1 0 305.484 2.241 10 0 DEAERO CC(C)(C)[C@@H]1CCCN(C2(C[NH3+])CCS(=O)(=O)CC2)CC1 ZINC000079307111 185164252 /nfs/dbraw/zinc/16/42/52/185164252.db2.gz JGTCDTAQSRXFKU-CQSZACIVSA-N 1 0 316.511 2.041 10 0 DEAERO CC(C)[NH2+][C@](CSc1ccc(Cl)cn1)(C(N)=O)C1CC1 ZINC000079447792 185171899 /nfs/dbraw/zinc/17/18/99/185171899.db2.gz QEQMVPIKSIRFBQ-AWEZNQCLSA-N 1 0 313.854 2.459 10 0 DEAERO NC(=O)[C@](CSc1ccc(Cl)cn1)([NH2+]C1CC1)C1CC1 ZINC000079447821 185172147 /nfs/dbraw/zinc/17/21/47/185172147.db2.gz XVUCINRFZXUOFT-CQSZACIVSA-N 1 0 311.838 2.213 10 0 DEAERO CCC[NH2+][C@@](CSc1ncccc1Cl)(C(N)=O)C1CC1 ZINC000079449145 185172229 /nfs/dbraw/zinc/17/22/29/185172229.db2.gz MJDJDVJZGQIDQO-CQSZACIVSA-N 1 0 313.854 2.461 10 0 DEAERO CC(C)(C)[C@@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)CCO1 ZINC000333557445 282954308 /nfs/dbraw/zinc/95/43/08/282954308.db2.gz KZXKDKOWBIHWQH-GJZGRUSLSA-N 1 0 323.481 2.365 10 0 DEAERO CCC[NH2+][C@@H]1c2ccccc2CC[C@H]1S(=O)(=O)CCOC ZINC000081944547 192346121 /nfs/dbraw/zinc/34/61/21/192346121.db2.gz URKPGMHITAUUHX-HZPDHXFCSA-N 1 0 311.447 2.103 10 0 DEAERO CCOCC[N@@H+]1CCN(c2cncc(OCC(C)C)n2)C[C@@H]1C ZINC000153286371 282166660 /nfs/dbraw/zinc/16/66/60/282166660.db2.gz XJVMOEXSKNTIKK-HNNXBMFYSA-N 1 0 322.453 2.058 10 0 DEAERO CN1C[C@H]([NH2+]Cc2cc(Br)cs2)CCC1=O ZINC000082756548 185202444 /nfs/dbraw/zinc/20/24/44/185202444.db2.gz NXSJPTOGOAXSAY-SECBINFHSA-N 1 0 303.225 2.221 10 0 DEAERO C[C@](O)(C[NH3+])CCCSc1ncccc1Br ZINC000082917599 185209491 /nfs/dbraw/zinc/20/94/91/185209491.db2.gz DSQKAPPEZJSGOD-LLVKDONJSA-N 1 0 305.241 2.426 10 0 DEAERO C[C@@H]1CN(c2cccc(I)c2)CCC[NH2+]1 ZINC000083092328 185213102 /nfs/dbraw/zinc/21/31/02/185213102.db2.gz GTNBQTMNERJDCA-SNVBAGLBSA-N 1 0 316.186 2.479 10 0 DEAERO CC1(C)CN(c2ccccc2I)CC[NH2+]1 ZINC000083061379 185212306 /nfs/dbraw/zinc/21/23/06/185212306.db2.gz RSBLYDORXYJWHP-UHFFFAOYSA-N 1 0 316.186 2.479 10 0 DEAERO C[C@H]1CN(c2ccccc2I)CC[NH2+]1 ZINC000083061371 185212415 /nfs/dbraw/zinc/21/24/15/185212415.db2.gz QSEZHZDIPUPSPM-VIFPVBQESA-N 1 0 302.159 2.089 10 0 DEAERO C[C@H]1CN(c2cccc(I)c2)CC[NH2+]1 ZINC000083061327 185212463 /nfs/dbraw/zinc/21/24/63/185212463.db2.gz VDURCNIVPAKKHK-VIFPVBQESA-N 1 0 302.159 2.089 10 0 DEAERO [NH3+]C[C@@H](c1cccc(Br)c1)[C@H](O)C1CCOCC1 ZINC000087379039 185223167 /nfs/dbraw/zinc/22/31/67/185223167.db2.gz FUBZDMDJFWUXDX-UONOGXRCSA-N 1 0 314.223 2.279 10 0 DEAERO CCC[C@H](C[NH3+])NC(=O)c1cc(Br)cn1CC ZINC000087387255 185223364 /nfs/dbraw/zinc/22/33/64/185223364.db2.gz GMISSGFCGVAKAP-SNVBAGLBSA-N 1 0 302.216 2.128 10 0 DEAERO COc1ccc(Br)c(C(=O)N[C@@H](C[NH3+])C(C)C)c1 ZINC000087402941 185223590 /nfs/dbraw/zinc/22/35/90/185223590.db2.gz KSSAJQAQCKIKLF-LBPRGKRZSA-N 1 0 315.211 2.171 10 0 DEAERO CCc1nnsc1C(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000087455322 185225615 /nfs/dbraw/zinc/22/56/15/185225615.db2.gz HNHQQJORHDYYMI-LLVKDONJSA-N 1 0 308.451 2.285 10 0 DEAERO CCCc1nnsc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000087455713 185225724 /nfs/dbraw/zinc/22/57/24/185225724.db2.gz LBNFFFPNZFCBHE-LBPRGKRZSA-N 1 0 308.451 2.095 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000087522246 185227708 /nfs/dbraw/zinc/22/77/08/185227708.db2.gz FEEYAVCFNROOLG-MRVPVSSYSA-N 1 0 300.305 2.065 10 0 DEAERO C[C@@]([NH3+])(C(=O)NCc1sccc1Br)C1CC1 ZINC000087575721 185228657 /nfs/dbraw/zinc/22/86/57/185228657.db2.gz DYFUEJKBEUQPQJ-NSHDSACASA-N 1 0 303.225 2.254 10 0 DEAERO Cc1nnc(SCc2ccc(Br)o2)n1CC[NH3+] ZINC000087715106 185231028 /nfs/dbraw/zinc/23/10/28/185231028.db2.gz HVUUSNLQLDTGSS-UHFFFAOYSA-N 1 0 317.212 2.193 10 0 DEAERO NNc1cc(Oc2ccc(F)cc2Br)nc(N)[nH+]1 ZINC000087881313 185234445 /nfs/dbraw/zinc/23/44/45/185234445.db2.gz PHBHQDLZOLYZKS-UHFFFAOYSA-N 1 0 314.118 2.038 10 0 DEAERO NNc1nc(NCc2cc(Br)cs2)c(F)c[nH+]1 ZINC000087880303 185234446 /nfs/dbraw/zinc/23/44/46/185234446.db2.gz MBNHZOLFJGAULR-UHFFFAOYSA-N 1 0 318.175 2.337 10 0 DEAERO [NH3+]C[C@@H](NC[C@H]1CCCO1)c1ccc(Br)cc1F ZINC000087928580 185237648 /nfs/dbraw/zinc/23/76/48/185237648.db2.gz FCIKQTIYEWDMAR-ZWNOBZJWSA-N 1 0 317.202 2.357 10 0 DEAERO COc1ccc(C[C@](C)(C[NH3+])[C@H](C)O)cc1Br ZINC000087932044 185237702 /nfs/dbraw/zinc/23/77/02/185237702.db2.gz YVXXWCNDOKPNRU-TVQRCGJNSA-N 1 0 302.212 2.346 10 0 DEAERO C[C@H](C[NH3+])CC(=O)N(C)Cc1csc(Br)c1 ZINC000087985762 185237922 /nfs/dbraw/zinc/23/79/22/185237922.db2.gz DBABZUKAZRSFND-QMMMGPOBSA-N 1 0 305.241 2.454 10 0 DEAERO COc1ccc(Br)c(C[S@@](=O)[C@H](C)C[NH3+])c1 ZINC000088067994 185238565 /nfs/dbraw/zinc/23/85/65/185238565.db2.gz BNGRJNDYQQMLHU-BCTVWOGZSA-N 1 0 306.225 2.054 10 0 DEAERO COc1cc(C)c(Br)cc1[C@H]([NH3+])[C@H]1COCCO1 ZINC000088078062 185238847 /nfs/dbraw/zinc/23/88/47/185238847.db2.gz XYGGRDMZEWWWLS-OLZOCXBDSA-N 1 0 316.195 2.181 10 0 DEAERO CC[C@H]([NH3+])CS(=O)(=O)Cc1cc(Br)cs1 ZINC000088074845 185238904 /nfs/dbraw/zinc/23/89/04/185238904.db2.gz PZUFLBBNXHFULP-QMMMGPOBSA-N 1 0 312.254 2.163 10 0 DEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(Br)c(F)c1 ZINC000088084043 185239277 /nfs/dbraw/zinc/23/92/77/185239277.db2.gz OECBOYVPKHDXDV-IONNQARKSA-N 1 0 301.159 2.382 10 0 DEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1ccc(Br)c(F)c1 ZINC000088085369 185239295 /nfs/dbraw/zinc/23/92/95/185239295.db2.gz VIGKQXSTRSBOFE-LBPRGKRZSA-N 1 0 313.170 2.446 10 0 DEAERO CCC(CC)[N@H+](CCO)Cc1ccc(OC)c(C(N)=S)c1 ZINC000087832564 185232425 /nfs/dbraw/zinc/23/24/25/185232425.db2.gz ISUKPZNXXDLHFZ-UHFFFAOYSA-N 1 0 310.463 2.312 10 0 DEAERO C[C@@H](Nc1nc(NN)[nH+]cc1Br)c1ccncc1 ZINC000087853537 185233719 /nfs/dbraw/zinc/23/37/19/185233719.db2.gz PLMFFGMKUMVPER-SSDOTTSWSA-N 1 0 309.171 2.093 10 0 DEAERO C[C@@H](Cc1ccco1)Nc1nc(NN)[nH+]cc1Br ZINC000087865316 185233909 /nfs/dbraw/zinc/23/39/09/185233909.db2.gz USKMXISIBDADGC-ZETCQYMHSA-N 1 0 312.171 2.161 10 0 DEAERO NNc1nc(NCc2ccsc2)c(Br)c[nH+]1 ZINC000087876482 185234150 /nfs/dbraw/zinc/23/41/50/185234150.db2.gz SSZKXDYNTXREBF-UHFFFAOYSA-N 1 0 300.185 2.198 10 0 DEAERO COc1cccc(Oc2nc(NN)[nH+]cc2Br)c1 ZINC000087882203 185234416 /nfs/dbraw/zinc/23/44/16/185234416.db2.gz WGTKTKBNJHEQRA-UHFFFAOYSA-N 1 0 311.139 2.326 10 0 DEAERO C[C@@H](C[NH3+])C[S@](=O)Cc1ccc(F)c(Br)c1 ZINC000088089983 185239612 /nfs/dbraw/zinc/23/96/12/185239612.db2.gz ZYATWQLYIJNOSZ-ZKANADHPSA-N 1 0 308.216 2.432 10 0 DEAERO CC(C)(C)[NH2+]Cc1nnnn1-c1c2nsnc2ccc1Cl ZINC000088127770 185240378 /nfs/dbraw/zinc/24/03/78/185240378.db2.gz MOZCREHTTRUUFG-UHFFFAOYSA-N 1 0 323.813 2.209 10 0 DEAERO CC[C@@H](C[NH3+])C(=O)Nc1cc(OC)ccc1Br ZINC000088321428 185245450 /nfs/dbraw/zinc/24/54/50/185245450.db2.gz FJJKEADAXHSYDT-QMMMGPOBSA-N 1 0 301.184 2.381 10 0 DEAERO Nc1cc(F)ccc1SC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000088398454 185248516 /nfs/dbraw/zinc/24/85/16/185248516.db2.gz FVEBESVHDIKCPY-DZGCQCFKSA-N 1 0 306.406 2.431 10 0 DEAERO Nc1cc(F)ccc1SC[C@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000088398457 185248536 /nfs/dbraw/zinc/24/85/36/185248536.db2.gz FVEBESVHDIKCPY-HIFRSBDPSA-N 1 0 306.406 2.431 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000088416847 185249209 /nfs/dbraw/zinc/24/92/09/185249209.db2.gz SSVZQEXDJKGOBB-RWMBFGLXSA-N 1 0 304.360 2.473 10 0 DEAERO COC(=O)[C@](C)(N)CCCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088435181 185250205 /nfs/dbraw/zinc/25/02/05/185250205.db2.gz VNKCMPSHTDTLIG-WCQYABFASA-N 1 0 310.360 2.321 10 0 DEAERO [NH3+][C@](CO)(CN1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000088439723 185250781 /nfs/dbraw/zinc/25/07/81/185250781.db2.gz LLABCQHRDNGTRU-AWEZNQCLSA-N 1 0 302.340 2.107 10 0 DEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)Nc1cnc(Br)cn1 ZINC000088446427 185251329 /nfs/dbraw/zinc/25/13/29/185251329.db2.gz FFPWGGJFCDVOHH-IUCAKERBSA-N 1 0 315.215 2.331 10 0 DEAERO C[C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000088516393 185254576 /nfs/dbraw/zinc/25/45/76/185254576.db2.gz PDIVOCVKXYYPOL-CMPLNLGQSA-N 1 0 302.465 2.454 10 0 DEAERO CC(C)CCN(C)S(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088544427 185256702 /nfs/dbraw/zinc/25/67/02/185256702.db2.gz NYKIZHMGOVAUSO-UHFFFAOYSA-N 1 0 302.440 2.444 10 0 DEAERO Cc1ccccc1S(=O)(=O)Nc1cccc(OCC[NH3+])c1 ZINC000088714801 185262778 /nfs/dbraw/zinc/26/27/78/185262778.db2.gz VAPBVLCUSIGVFP-UHFFFAOYSA-N 1 0 306.387 2.133 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000088714106 185262838 /nfs/dbraw/zinc/26/28/38/185262838.db2.gz RTTBQTJAAOKGTD-GFCCVEGCSA-N 1 0 309.353 2.400 10 0 DEAERO CCn1ncnc1C[C@@](C)([NH3+])c1ccccc1Br ZINC000088607036 185259996 /nfs/dbraw/zinc/25/99/96/185259996.db2.gz PWIUZFIGVVPZQC-CYBMUJFWSA-N 1 0 309.211 2.477 10 0 DEAERO Cc1ccccc1S(=O)(=O)NC1(C(N)=[NH2+])CCC(C)CC1 ZINC000088716971 185262970 /nfs/dbraw/zinc/26/29/70/185262970.db2.gz ZIKORLYRPWIAEJ-UHFFFAOYSA-N 1 0 309.435 2.158 10 0 DEAERO C[NH2+][C@H](CCC(F)(F)F)c1ccc2c(c1)n(C)c(=O)n2C ZINC000088833550 185266673 /nfs/dbraw/zinc/26/66/73/185266673.db2.gz RFABTDDETATTJC-SNVBAGLBSA-N 1 0 301.312 2.480 10 0 DEAERO C[NH2+][C@H]1CCC[C@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000081982653 192349484 /nfs/dbraw/zinc/34/94/84/192349484.db2.gz LDKJXTCJKQPJJX-NWDGAFQWSA-N 1 0 318.236 2.363 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)C1CCOCC1)c1ccc(C)cc1C ZINC000081989656 192350314 /nfs/dbraw/zinc/35/03/14/192350314.db2.gz RAKFQALIAYOTMZ-INIZCTEOSA-N 1 0 311.447 2.158 10 0 DEAERO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081989877 192351075 /nfs/dbraw/zinc/35/10/75/192351075.db2.gz JHCPCPLYFLWJKV-SNPRPXQTSA-N 1 0 303.468 2.137 10 0 DEAERO COC(C[C@](C)(C[NH3+])N(C)Cc1cccc(Cl)c1)OC ZINC000090265793 185288310 /nfs/dbraw/zinc/28/83/10/185288310.db2.gz VNOVRPRXTXEAGI-OAHLLOKOSA-N 1 0 300.830 2.498 10 0 DEAERO COc1nc(N(C)C)sc1C[NH2+]C[C@](C)(O)CC(C)C ZINC000090270523 185288569 /nfs/dbraw/zinc/28/85/69/185288569.db2.gz KRQVAIDPMUBEBZ-CQSZACIVSA-N 1 0 301.456 2.104 10 0 DEAERO CCCN(C(=O)c1ccc(Br)c(F)c1)C1C[NH2+]C1 ZINC000090292781 185289538 /nfs/dbraw/zinc/28/95/38/185289538.db2.gz VRILKSLJPVLDNF-UHFFFAOYSA-N 1 0 315.186 2.412 10 0 DEAERO CCCN(Cc1nc2sc(C)c(C)c2c(N)n1)C1C[NH2+]C1 ZINC000090293399 185289845 /nfs/dbraw/zinc/28/98/45/185289845.db2.gz UPSKZCXPIBJHKC-UHFFFAOYSA-N 1 0 305.451 2.074 10 0 DEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Br)cc1 ZINC000090325174 185291103 /nfs/dbraw/zinc/29/11/03/185291103.db2.gz RSERZTWVFPZTHM-XWIASGKRSA-N 1 0 309.207 2.129 10 0 DEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccccc1Br ZINC000090324738 185291151 /nfs/dbraw/zinc/29/11/51/185291151.db2.gz CQJJMNBCMPXRIO-FOGDFJRCSA-N 1 0 309.207 2.129 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(Cl)ccc1OC ZINC000090331138 185291441 /nfs/dbraw/zinc/29/14/41/185291441.db2.gz CCGLHCCCDNHZTG-LERXQTSPSA-N 1 0 308.809 2.419 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090332873 185291462 /nfs/dbraw/zinc/29/14/62/185291462.db2.gz PALSXZFNYQQBFK-YRGRVCCFSA-N 1 0 308.809 2.499 10 0 DEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc2nc(C)sc2c1 ZINC000090489173 185298788 /nfs/dbraw/zinc/29/87/88/185298788.db2.gz VMQMWKZNPQKVNC-YPMHNXCESA-N 1 0 305.403 2.168 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000090380499 185293538 /nfs/dbraw/zinc/29/35/38/185293538.db2.gz CMVABRZEWQCGQO-CBAPKCEASA-N 1 0 308.687 2.271 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000090432826 185295781 /nfs/dbraw/zinc/29/57/81/185295781.db2.gz BSUFMSHNAATDRM-WDEREUQCSA-N 1 0 302.346 2.174 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000090432812 185296015 /nfs/dbraw/zinc/29/60/15/185296015.db2.gz ZWHYTUHNMOOISZ-DGCLKSJQSA-N 1 0 305.765 2.061 10 0 DEAERO C[C@]1(C(=O)Nc2ccc(-c3nccs3)cc2)COC[C@H]1[NH3+] ZINC000090589676 185305510 /nfs/dbraw/zinc/30/55/10/185305510.db2.gz LMBFDXQGFXLJSV-DOMZBBRYSA-N 1 0 303.387 2.112 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090593632 185305805 /nfs/dbraw/zinc/30/58/05/185305805.db2.gz MRBRZIVGYPMDGB-JSGCOSHPSA-N 1 0 317.216 2.316 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)COC[C@@H]1[NH3+] ZINC000090597732 185305927 /nfs/dbraw/zinc/30/59/27/185305927.db2.gz GXZXBSXPKCZWQU-CMPLNLGQSA-N 1 0 306.259 2.147 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1OC ZINC000090538709 185301761 /nfs/dbraw/zinc/30/17/61/185301761.db2.gz CONHLKPMTCAGLX-WCQYABFASA-N 1 0 312.797 2.302 10 0 DEAERO COc1ccccc1C(=O)N1CCCSC[C@H]1C[NH+](C)C ZINC000090699816 185310323 /nfs/dbraw/zinc/31/03/23/185310323.db2.gz YZWMKGMVFBCHKP-CYBMUJFWSA-N 1 0 308.447 2.205 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](S(=O)(=O)C1CCCC1)CC2 ZINC000092388730 185315070 /nfs/dbraw/zinc/31/50/70/185315070.db2.gz OXJIMHDQMKMLCH-HZPDHXFCSA-N 1 0 309.431 2.367 10 0 DEAERO C[NH2+]C[C@@H](C)C(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000237174564 290671934 /nfs/dbraw/zinc/67/19/34/290671934.db2.gz AKDMQGHDJVZDRW-ZIAGYGMSSA-N 1 0 323.868 2.401 10 0 DEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1Sc1nncn1C ZINC000092389746 185315663 /nfs/dbraw/zinc/31/56/63/185315663.db2.gz ODKFEHRHCSHKLK-UONOGXRCSA-N 1 0 304.419 2.191 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000092395283 185315996 /nfs/dbraw/zinc/31/59/96/185315996.db2.gz HGFZNQWKUWYWHK-STQMWFEESA-N 1 0 302.212 2.089 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000092400186 185316055 /nfs/dbraw/zinc/31/60/55/185316055.db2.gz ZLUZTFSJBCVSST-AAEUAGOBSA-N 1 0 322.232 2.340 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000167118001 197703379 /nfs/dbraw/zinc/70/33/79/197703379.db2.gz IOOUFQZQLCWHRT-MNOVXSKESA-N 1 0 302.212 2.434 10 0 DEAERO C[C@H](CC[NH+](C)C)n1c(N)nc2cc(Br)cnc21 ZINC000092575588 185326848 /nfs/dbraw/zinc/32/68/48/185326848.db2.gz CGVGNLZOACSIRA-MRVPVSSYSA-N 1 0 312.215 2.289 10 0 DEAERO CCCC(CCC)(C(N)=S)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092631786 185330598 /nfs/dbraw/zinc/33/05/98/185330598.db2.gz XMXVMNHEYXJWLU-CYBMUJFWSA-N 1 0 313.511 2.412 10 0 DEAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1cccs1 ZINC000184316227 282251927 /nfs/dbraw/zinc/25/19/27/282251927.db2.gz FVPNGBJXTPBGDJ-CQSZACIVSA-N 1 0 323.506 2.168 10 0 DEAERO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc2c1OCCO2 ZINC000092756510 185338143 /nfs/dbraw/zinc/33/81/43/185338143.db2.gz OJRZZCZTDOXWLH-OAHLLOKOSA-N 1 0 318.417 2.137 10 0 DEAERO CC1(C)C(CNS(=O)(=O)c2cc(C[NH3+])cs2)C1(C)C ZINC000092833171 185345048 /nfs/dbraw/zinc/34/50/48/185345048.db2.gz PHEOWFMLOWVOIY-UHFFFAOYSA-N 1 0 302.465 2.167 10 0 DEAERO Cc1cc(C)n2c(C[NH+]3CCC(c4ccnn4C)CC3)cnc2n1 ZINC000092810412 185343088 /nfs/dbraw/zinc/34/30/88/185343088.db2.gz XWDLYRJUFUNQIS-UHFFFAOYSA-N 1 0 324.432 2.459 10 0 DEAERO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000181397079 199290174 /nfs/dbraw/zinc/29/01/74/199290174.db2.gz SAUSHUUCWIBVKO-SUHUHFCYSA-N 1 0 314.223 2.497 10 0 DEAERO C[C@]1(C(=O)Cc2nc(-c3ccccc3)cs2)COC[C@@H]1[NH3+] ZINC000168507059 197723701 /nfs/dbraw/zinc/72/37/01/197723701.db2.gz YUXRWUZVARKASX-BBRMVZONSA-N 1 0 302.399 2.286 10 0 DEAERO COc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000181450008 199298710 /nfs/dbraw/zinc/29/87/10/199298710.db2.gz FUWRHLXPKBWCML-BBRMVZONSA-N 1 0 306.406 2.117 10 0 DEAERO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc(O)c2)cc1 ZINC000181574868 199319772 /nfs/dbraw/zinc/31/97/72/199319772.db2.gz BQDZRDTTYSKSCD-CYBMUJFWSA-N 1 0 314.385 2.368 10 0 DEAERO Cc1c(Cl)cc(S(=O)(=O)N2CCC([NH3+])CC2)cc1Cl ZINC000183102327 199537976 /nfs/dbraw/zinc/53/79/76/199537976.db2.gz UTLMPOLYQGVLPI-UHFFFAOYSA-N 1 0 323.245 2.414 10 0 DEAERO C[C@@H]1CCC[C@@](CNC(=O)N(C)C[C@@H]2CCCO2)([NH+](C)C)C1 ZINC000102904545 185425449 /nfs/dbraw/zinc/42/54/49/185425449.db2.gz XNUPXNYVBOLBGF-HLLBOEOZSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H]1C[C@@H]([N@H+](C)CCOCC(F)(F)C(F)F)CCN1C ZINC000189504036 282312073 /nfs/dbraw/zinc/31/20/73/282312073.db2.gz OOEKVSTZIXJJIW-QWRGUYRKSA-N 1 0 300.340 2.318 10 0 DEAERO CCCOc1ccc([C@@H]2NN=C3CC[NH2+]C[C@H]32)cc1OCC ZINC000169966921 197762490 /nfs/dbraw/zinc/76/24/90/197762490.db2.gz SOZAWEIQIFETRF-DYVFJYSZSA-N 1 0 303.406 2.484 10 0 DEAERO O=C(Nc1nc2c(s1)CCCC2)N1CC[NH+]2CCC1CC2 ZINC000190885795 282326906 /nfs/dbraw/zinc/32/69/06/282326906.db2.gz PTUUECQRXUKBSK-UHFFFAOYSA-N 1 0 306.435 2.334 10 0 DEAERO CN(Cc1ccccc1F)C(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000440882144 530002129 /nfs/dbraw/zinc/00/21/29/530002129.db2.gz CTDBCEYYAIXXKZ-UHFFFAOYSA-N 1 0 322.424 2.459 10 0 DEAERO Cc1cnn(CCC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107530600 185483367 /nfs/dbraw/zinc/48/33/67/185483367.db2.gz PTWFXKJTBAQIKH-INIZCTEOSA-N 1 0 304.438 2.059 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC000195067418 282368215 /nfs/dbraw/zinc/36/82/15/282368215.db2.gz GCJFJPZVFUQASY-CVEARBPZSA-N 1 0 306.454 2.298 10 0 DEAERO CCN(CC)c1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c(O)c1 ZINC000090688315 539417605 /nfs/dbraw/zinc/41/76/05/539417605.db2.gz KWXRFOIZXVNTMV-HNNXBMFYSA-N 1 0 319.449 2.405 10 0 DEAERO CCc1noc(C2CCC([NH2+]C[C@@H](O)c3ccncc3)CC2)n1 ZINC000097049787 539434317 /nfs/dbraw/zinc/43/43/17/539434317.db2.gz CIDVNEAXIMUNNZ-YMAMQOFZSA-N 1 0 316.405 2.376 10 0 DEAERO CC(=O)c1ccccc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614963983 362500733 /nfs/dbraw/zinc/50/07/33/362500733.db2.gz LOQYAUVUGTUWLQ-UHFFFAOYSA-N 1 0 300.402 2.447 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)COC1(C)C[NH2+]C1 ZINC000098060421 539435912 /nfs/dbraw/zinc/43/59/12/539435912.db2.gz ZNEYEFQJWZLTFA-UHFFFAOYSA-N 1 0 317.216 2.330 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000245414252 282386210 /nfs/dbraw/zinc/38/62/10/282386210.db2.gz CCVCVURDHCBAGA-VQHPVUNQSA-N 1 0 309.498 2.343 10 0 DEAERO CCc1cnc(CCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000245418330 282386250 /nfs/dbraw/zinc/38/62/50/282386250.db2.gz AGQBTZVDMPOESY-STQMWFEESA-N 1 0 324.494 2.372 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)CN(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000245432948 282388003 /nfs/dbraw/zinc/38/80/03/282388003.db2.gz OYTUKAFCULEKTI-BRWVUGGUSA-N 1 0 309.498 2.440 10 0 DEAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000333790040 282966802 /nfs/dbraw/zinc/96/68/02/282966802.db2.gz MIKFOBWRHMXMAE-BSLXNSKLSA-N 1 0 307.825 2.493 10 0 DEAERO C[C@@H](CCc1ccco1)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111245885 185563671 /nfs/dbraw/zinc/56/36/71/185563671.db2.gz YCCPOPFQAPFVGZ-GWCFXTLKSA-N 1 0 304.312 2.259 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111271440 185569443 /nfs/dbraw/zinc/56/94/43/185569443.db2.gz RAHQUKGEEZIPCV-KWQFWETISA-N 1 0 310.419 2.336 10 0 DEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1N(C)Cc1csc(C)n1 ZINC000111502328 185609988 /nfs/dbraw/zinc/60/99/88/185609988.db2.gz AZWGTPLGVKIPHF-LBPRGKRZSA-N 1 0 307.467 2.410 10 0 DEAERO C[C@H]([NH3+])Cc1c(Cl)cccc1SCCS(C)(=O)=O ZINC000111578885 185614318 /nfs/dbraw/zinc/61/43/18/185614318.db2.gz ZUDKDTPJYGOMFL-VIFPVBQESA-N 1 0 307.868 2.366 10 0 DEAERO CC[C@H]([NH3+])Cc1ccc(Sc2n[nH]c(=O)n2CC)c(F)c1 ZINC000111586010 185614830 /nfs/dbraw/zinc/61/48/30/185614830.db2.gz WBXYLEUGEIEVSZ-JTQLQIEISA-N 1 0 310.398 2.161 10 0 DEAERO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(NC(N)=O)cc1 ZINC000111637253 185619842 /nfs/dbraw/zinc/61/98/42/185619842.db2.gz VGDXDPACUATLCU-SECBINFHSA-N 1 0 305.300 2.407 10 0 DEAERO CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc(C[NH3+])o2)no1 ZINC000155029784 539556536 /nfs/dbraw/zinc/55/65/36/539556536.db2.gz BOJRFRJEVZLSOV-LLVKDONJSA-N 1 0 304.350 2.222 10 0 DEAERO O[C@@H](C[NH2+]C1CC1)COCc1ccc(Br)cc1 ZINC000123836618 185847541 /nfs/dbraw/zinc/84/75/41/185847541.db2.gz PWPYFTWZJVRRCK-ZDUSSCGKSA-N 1 0 300.196 2.079 10 0 DEAERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333825946 282973471 /nfs/dbraw/zinc/97/34/71/282973471.db2.gz LODLTOCLTYCFQQ-HMDCTGQHSA-N 1 0 323.481 2.100 10 0 DEAERO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000123911077 185855174 /nfs/dbraw/zinc/85/51/74/185855174.db2.gz HRYLFGSZDNIEAM-CYBMUJFWSA-N 1 0 304.415 2.070 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000250949577 282587070 /nfs/dbraw/zinc/58/70/70/282587070.db2.gz OAQWJVWYPBIUCP-NFAWXSAZSA-N 1 0 309.431 2.456 10 0 DEAERO CC(C)[NH+](CCNC(=O)NCc1ccc2cc[nH]c2n1)C(C)C ZINC000358486596 535070011 /nfs/dbraw/zinc/07/00/11/535070011.db2.gz UQEAAMSIZMQGND-UHFFFAOYSA-N 1 0 317.437 2.481 10 0 DEAERO CC(C)([NH3+])CCC(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000070087133 190858101 /nfs/dbraw/zinc/85/81/01/190858101.db2.gz CKNVJTZUNWNSKU-UHFFFAOYSA-N 1 0 307.785 2.377 10 0 DEAERO C[C@@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1[NH3+] ZINC000070145913 190862952 /nfs/dbraw/zinc/86/29/52/190862952.db2.gz AVQNJDDVGQDZNL-ZWNOBZJWSA-N 1 0 300.324 2.444 10 0 DEAERO CC(C)(C)OC(=O)NC[C@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616671125 362907496 /nfs/dbraw/zinc/90/74/96/362907496.db2.gz HDVHJIMFRMGKBF-CYBMUJFWSA-N 1 0 305.422 2.149 10 0 DEAERO C[C@@H](CNC(=O)c1cnn2c1CCCC2)C[NH+]1CCCCC1 ZINC000127018492 185912816 /nfs/dbraw/zinc/91/28/16/185912816.db2.gz LQWJHUVDHHFRDR-AWEZNQCLSA-N 1 0 304.438 2.071 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)CN2CCCCCCC2=O)CC1 ZINC000178769075 539637612 /nfs/dbraw/zinc/63/76/12/539637612.db2.gz ROMCKPCHZFLGMM-UHFFFAOYSA-N 1 0 323.481 2.016 10 0 DEAERO COc1cc(OC)cc(OCCC[N@H+](C)Cc2cncnc2)c1 ZINC000180552117 539645715 /nfs/dbraw/zinc/64/57/15/539645715.db2.gz VGJVVLAWDIRNKY-UHFFFAOYSA-N 1 0 317.389 2.395 10 0 DEAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC000181538668 539651596 /nfs/dbraw/zinc/65/15/96/539651596.db2.gz DSVRISPGCZMTTD-AWEZNQCLSA-N 1 0 300.406 2.038 10 0 DEAERO CC1(C)Cc2cccc(C[NH2+]C3CCS(=O)(=O)CC3)c2O1 ZINC000080507769 192163804 /nfs/dbraw/zinc/16/38/04/192163804.db2.gz PVBVINWINGYSBN-UHFFFAOYSA-N 1 0 309.431 2.067 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)[C@H](C)[C@H]1OC ZINC000333830248 282975997 /nfs/dbraw/zinc/97/59/97/282975997.db2.gz MKKTVAITEZMIAM-RRFJBIMHSA-N 1 0 323.481 2.364 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)[C@@H]1CCCO1 ZINC000183098477 539659452 /nfs/dbraw/zinc/65/94/52/539659452.db2.gz BEMZAKXPUTXDQM-YPMHNXCESA-N 1 0 319.430 2.416 10 0 DEAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC000183219305 539660310 /nfs/dbraw/zinc/66/03/10/539660310.db2.gz RAJQEXCRNIXSFD-MAUKXSAKSA-N 1 0 316.445 2.273 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)N(C)CCC[NH+](C)C ZINC000186328441 539674857 /nfs/dbraw/zinc/67/48/57/539674857.db2.gz SSXLYBRIWOIZDZ-OAHLLOKOSA-N 1 0 307.438 2.185 10 0 DEAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189032288 539686240 /nfs/dbraw/zinc/68/62/40/539686240.db2.gz VDRCIUIPZDBRGH-BDJLRTHQSA-N 1 0 316.380 2.309 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)C[C@@H]1CCOC1 ZINC000130251567 185949992 /nfs/dbraw/zinc/94/99/92/185949992.db2.gz GZMLPHPLJYNTGY-WDEREUQCSA-N 1 0 316.243 2.048 10 0 DEAERO CC(C)N(CC1CC1)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071243793 190948272 /nfs/dbraw/zinc/94/82/72/190948272.db2.gz HEUWVCCTZBCGJX-UHFFFAOYSA-N 1 0 300.399 2.094 10 0 DEAERO CCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1CN1CCS(=O)CC1 ZINC000083751726 192382147 /nfs/dbraw/zinc/38/21/47/192382147.db2.gz OEMXMJNHLDSODS-CABCVRRESA-N 1 0 300.512 2.245 10 0 DEAERO C[NH+](C)C1CCN(Cc2nc(Cc3ccccc3)no2)CC1 ZINC000193821667 539715538 /nfs/dbraw/zinc/71/55/38/539715538.db2.gz CNKJODZSVJUJDZ-UHFFFAOYSA-N 1 0 300.406 2.186 10 0 DEAERO COC[C@@H]([NH3+])CCc1ccc(I)cc1 ZINC000083850038 192386345 /nfs/dbraw/zinc/38/63/45/192386345.db2.gz LNMOWCXPRNFSAD-NSHDSACASA-N 1 0 305.159 2.198 10 0 DEAERO [NH3+][C@@H](C[S@@](=O)C1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000084054845 192397337 /nfs/dbraw/zinc/39/73/37/192397337.db2.gz NKQUNDZKGKKICE-JYNIUNLOSA-N 1 0 311.491 2.458 10 0 DEAERO CCOc1ccccc1[C@H](C[S@](=O)C1CCOCC1)[NH2+]C ZINC000084055017 192397708 /nfs/dbraw/zinc/39/77/08/192397708.db2.gz KDCGNEXOMKOBJV-YCRPNKLZSA-N 1 0 311.447 2.274 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nccc(C)n1)OCCO2 ZINC000083966508 192392799 /nfs/dbraw/zinc/39/27/99/192392799.db2.gz QLBSNZUWGRHDAN-OLZOCXBDSA-N 1 0 309.435 2.151 10 0 DEAERO C[C@H]([NH3+])[C@H]1CN(c2ncc(Br)cc2Cl)CCO1 ZINC000235514305 539737210 /nfs/dbraw/zinc/73/72/10/539737210.db2.gz OAWFHPJKSPXYMZ-OIBJUYFYSA-N 1 0 320.618 2.050 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1S(=O)(=O)c1cccc(Br)c1 ZINC000084271985 192418969 /nfs/dbraw/zinc/41/89/69/192418969.db2.gz FHPJXZGORDWXCM-JOYOIKCWSA-N 1 0 318.236 2.350 10 0 DEAERO CCCN(CCC)C(=O)Cn1c(C[NH3+])nc2cc(F)ccc21 ZINC000071663619 191000775 /nfs/dbraw/zinc/00/07/75/191000775.db2.gz WDLDWZXWPYKHKK-UHFFFAOYSA-N 1 0 306.385 2.283 10 0 DEAERO COc1ccc(F)c2c1CN(CCCCn1ccnc1)[C@H]2C[NH3+] ZINC000071683523 191006467 /nfs/dbraw/zinc/00/64/67/191006467.db2.gz FVWGOHCTCBHZAK-HNNXBMFYSA-N 1 0 318.396 2.327 10 0 DEAERO COc1cc2c(c(F)c1)CN(CCc1nccs1)[C@@H]2C[NH3+] ZINC000071683457 191006550 /nfs/dbraw/zinc/00/65/50/191006550.db2.gz USHIPOCGMJPFEE-CQSZACIVSA-N 1 0 307.394 2.349 10 0 DEAERO COc1ccc2c(c1)[C@@H](C[NH3+])N(CCc1c(C)nn(C)c1C)C2 ZINC000071683130 191006977 /nfs/dbraw/zinc/00/69/77/191006977.db2.gz GOTPHJGFRXPXPC-GOSISDBHSA-N 1 0 314.433 2.104 10 0 DEAERO C[C@H]([NH3+])CCCC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000133650849 186003548 /nfs/dbraw/zinc/00/35/48/186003548.db2.gz VPXUFMNIVQZBER-NSHDSACASA-N 1 0 300.349 2.464 10 0 DEAERO COC(=O)c1c(NC(=O)CCC[C@@H](C)[NH3+])sc2c1CCC2 ZINC000133683832 186006357 /nfs/dbraw/zinc/00/63/57/186006357.db2.gz BQIUAUZKZIDIAK-SECBINFHSA-N 1 0 310.419 2.479 10 0 DEAERO CC(=O)NC1CCN([C@H](c2cccc(Cl)c2)[C@@H](C)[NH3+])CC1 ZINC000133724633 186010071 /nfs/dbraw/zinc/01/00/71/186010071.db2.gz SSYAJLXVSPDARX-BZNIZROVSA-N 1 0 309.841 2.329 10 0 DEAERO CC(=O)NC1CCN([C@H](c2ccccc2Cl)[C@@H](C)[NH3+])CC1 ZINC000133737414 186010592 /nfs/dbraw/zinc/01/05/92/186010592.db2.gz VJRWGKWCLNGVCB-BZNIZROVSA-N 1 0 309.841 2.329 10 0 DEAERO C[C@@H]1CCC[C@]([NH3+])(c2nc3c(cccc3S(C)(=O)=O)[nH]2)C1 ZINC000138156669 186014516 /nfs/dbraw/zinc/01/45/16/186014516.db2.gz QMZYXUVYRIGUIP-MEBBXXQBSA-N 1 0 307.419 2.331 10 0 DEAERO CCCN(CCC)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138279694 186015696 /nfs/dbraw/zinc/01/56/96/186015696.db2.gz UZUXDUWIAVICOH-UHFFFAOYSA-N 1 0 320.405 2.495 10 0 DEAERO C[C@H](NC(=O)c1ccc(Br)c(N)c1)c1ncc[nH]1 ZINC000138389831 186016303 /nfs/dbraw/zinc/01/63/03/186016303.db2.gz DSQPKJYZLICNEA-ZETCQYMHSA-N 1 0 309.167 2.245 10 0 DEAERO CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138444722 186017128 /nfs/dbraw/zinc/01/71/28/186017128.db2.gz BZVOBAGUYFGEDX-LLVKDONJSA-N 1 0 318.389 2.377 10 0 DEAERO CC[C@H]1CCCN1S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138574158 186017538 /nfs/dbraw/zinc/01/75/38/186017538.db2.gz ZDDONFQGROKWEF-NSHDSACASA-N 1 0 318.389 2.247 10 0 DEAERO CC[NH+](CC)CCN1CCC(NC(=O)c2ccccc2)CC1 ZINC000138800678 186018964 /nfs/dbraw/zinc/01/89/64/186018964.db2.gz IKWVMHYYYXXMMP-UHFFFAOYSA-N 1 0 303.450 2.223 10 0 DEAERO C[C@H]1CCCN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)CC1 ZINC000139068417 186019418 /nfs/dbraw/zinc/01/94/18/186019418.db2.gz FSGIPWRJYYCHAY-JTQLQIEISA-N 1 0 318.389 2.234 10 0 DEAERO [NH3+]CC1(C(=O)Nc2ccc(Br)cc2)CCOCC1 ZINC000138156654 186014096 /nfs/dbraw/zinc/01/40/96/186014096.db2.gz RBJASLJJPVQFMA-UHFFFAOYSA-N 1 0 313.195 2.143 10 0 DEAERO C[C@@H](CNS(=O)(=O)c1cc(C[NH3+])cc(F)c1F)C(C)(C)C ZINC000139276818 186020680 /nfs/dbraw/zinc/02/06/80/186020680.db2.gz VKNZATCGMCNOGG-VIFPVBQESA-N 1 0 320.405 2.384 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ncccc2Br)no1 ZINC000139895986 186024361 /nfs/dbraw/zinc/02/43/61/186024361.db2.gz JKECJZCDLBUROB-JGVFFNPUSA-N 1 0 309.167 2.360 10 0 DEAERO C[NH+](C)CCCN1C(=O)C2(CCCC2)N[C@H]1c1cccs1 ZINC000140457911 186026817 /nfs/dbraw/zinc/02/68/17/186026817.db2.gz JLRSJJIGIGXVDV-CQSZACIVSA-N 1 0 307.463 2.443 10 0 DEAERO CC[C@@H]1N[C@@H](c2ccc(C)s2)N(C[C@@H]2CC[N@H+](C)C2)C1=O ZINC000142184515 186031866 /nfs/dbraw/zinc/03/18/66/186031866.db2.gz QJJWEWDIERFKOP-VNHYZAJKSA-N 1 0 307.463 2.217 10 0 DEAERO CCC[C@@H]1N[C@H](c2ccsc2)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000142806814 186032330 /nfs/dbraw/zinc/03/23/30/186032330.db2.gz NWTWZIUSVNMNDR-ILXRZTDVSA-N 1 0 307.463 2.441 10 0 DEAERO CCC[NH2+][C@@H](Cc1ncnn1C)c1ncccc1Br ZINC000140574893 186028068 /nfs/dbraw/zinc/02/80/68/186028068.db2.gz LQCIVXDYAWSULV-NSHDSACASA-N 1 0 324.226 2.256 10 0 DEAERO CC[C@]1(C)N[C@@H](c2ccsc2)N(C2CC[NH+](C)CC2)C1=O ZINC000141183476 186029065 /nfs/dbraw/zinc/02/90/65/186029065.db2.gz LOMNBZVVILAQPF-ZBFHGGJFSA-N 1 0 307.463 2.441 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)c1cncs1 ZINC000147637045 186040651 /nfs/dbraw/zinc/04/06/51/186040651.db2.gz PFXFETRASOMMJD-QMMMGPOBSA-N 1 0 315.240 2.451 10 0 DEAERO Nc1cc(Br)cc(C(=O)NC2CCC([NH3+])CC2)c1 ZINC000147751782 186041362 /nfs/dbraw/zinc/04/13/62/186041362.db2.gz GFNDEXRTWFJVTL-UHFFFAOYSA-N 1 0 312.211 2.031 10 0 DEAERO CN(C)c1ccc(Br)cc1NC(=O)C1([NH3+])CCC1 ZINC000147742034 186041564 /nfs/dbraw/zinc/04/15/64/186041564.db2.gz PYWKNBJZMOYSTL-UHFFFAOYSA-N 1 0 312.211 2.335 10 0 DEAERO Cc1cc(OCc2cccc(Br)c2)nc(NN)[nH+]1 ZINC000147822351 186041937 /nfs/dbraw/zinc/04/19/37/186041937.db2.gz VFPAMLHLPDOYAB-UHFFFAOYSA-N 1 0 309.167 2.412 10 0 DEAERO C[C@]1(c2noc([C@]3(C(F)(F)F)CC[NH2+]C3)n2)CCCCO1 ZINC000148023325 186042496 /nfs/dbraw/zinc/04/24/96/186042496.db2.gz KASBMLHMSNGMMD-NEPJUHHUSA-N 1 0 305.300 2.279 10 0 DEAERO CCC[NH2+]Cc1ccc(CC)c(S(=O)(=O)NCC(F)F)c1 ZINC000148198453 186044095 /nfs/dbraw/zinc/04/40/95/186044095.db2.gz PAWVGEABCMWYFF-UHFFFAOYSA-N 1 0 320.405 2.292 10 0 DEAERO CCC[C@@H]1N[C@@H](c2ccsc2)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000142806391 186032936 /nfs/dbraw/zinc/03/29/36/186032936.db2.gz NWTWZIUSVNMNDR-QLFBSQMISA-N 1 0 307.463 2.441 10 0 DEAERO C[C@H](CN1C(=O)C2(CCCC2)N[C@H]1c1ccsc1)[NH+](C)C ZINC000144941307 186035932 /nfs/dbraw/zinc/03/59/32/186035932.db2.gz FRLYSJCAYDKHBR-TZMCWYRMSA-N 1 0 307.463 2.441 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](C(C)C)C(=O)N2C[C@@H](C)[NH+](C)C)s1 ZINC000144951660 186036292 /nfs/dbraw/zinc/03/62/92/186036292.db2.gz RBGCJPOENBOMOO-KCPJHIHWSA-N 1 0 309.479 2.462 10 0 DEAERO C[C@H](CS(=O)(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000149375595 186049536 /nfs/dbraw/zinc/04/95/36/186049536.db2.gz XYEFFGVKVIKVTP-HUUCEWRRSA-N 1 0 310.463 2.099 10 0 DEAERO O=C1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2Br)N1 ZINC000149790506 186053140 /nfs/dbraw/zinc/05/31/40/186053140.db2.gz QWMPBBCWBKPYKZ-SNVBAGLBSA-N 1 0 317.614 2.471 10 0 DEAERO CCC[NH2+][C@@H](Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000150226430 186055633 /nfs/dbraw/zinc/05/56/33/186055633.db2.gz PMBCNXQNHULGEL-NHYWBVRUSA-N 1 0 317.401 2.310 10 0 DEAERO CCCC[C@@H](C[NH3+])Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000150335141 186056765 /nfs/dbraw/zinc/05/67/65/186056765.db2.gz JYFMZEYAMZUZRN-AWEZNQCLSA-N 1 0 313.467 2.303 10 0 DEAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H](c2ccccc2)CO1 ZINC000261835014 539787813 /nfs/dbraw/zinc/78/78/13/539787813.db2.gz UMBGLJQSTTVISR-MWQQHZPXSA-N 1 0 302.418 2.350 10 0 DEAERO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000152428262 186072143 /nfs/dbraw/zinc/07/21/43/186072143.db2.gz AUZLDRLMEDLJKA-BBRMVZONSA-N 1 0 312.417 2.452 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000155719481 186106266 /nfs/dbraw/zinc/10/62/66/186106266.db2.gz QDQHBFXKTBCPJP-CQSZACIVSA-N 1 0 322.478 2.062 10 0 DEAERO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CSC(=O)N1)c1ccccc1 ZINC000155776096 186112039 /nfs/dbraw/zinc/11/20/39/186112039.db2.gz FESGACUJDONZFV-AAEUAGOBSA-N 1 0 321.446 2.057 10 0 DEAERO [NH3+]C[C@H](Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000163983435 186144987 /nfs/dbraw/zinc/14/49/87/186144987.db2.gz ODIJJSSYLVUDNR-MNOVXSKESA-N 1 0 305.802 2.031 10 0 DEAERO C[NH+](C)CCn1ncc(Cl)c1C(=O)c1ccc(N)c(F)c1 ZINC000164057644 186147096 /nfs/dbraw/zinc/14/70/96/186147096.db2.gz YPBXDUZVJNHCFB-UHFFFAOYSA-N 1 0 310.760 2.050 10 0 DEAERO Cc1ccc([C@H](C[NH3+])N2CCCOCC2)c(Br)c1 ZINC000164074592 186148146 /nfs/dbraw/zinc/14/81/46/186148146.db2.gz DFHYDYZWLTUYRV-AWEZNQCLSA-N 1 0 313.239 2.480 10 0 DEAERO CCOc1nc(N[C@H](c2cccs2)C(C)C)nc(NN)[nH+]1 ZINC000159550343 186126337 /nfs/dbraw/zinc/12/63/37/186126337.db2.gz DJXZDGFWXSASIZ-JTQLQIEISA-N 1 0 308.411 2.427 10 0 DEAERO COc1ccc(C[NH2+]C[C@H](C)[S@](C)=O)c(Cl)c1OC ZINC000159619441 186131433 /nfs/dbraw/zinc/13/14/33/186131433.db2.gz NHMVXRLQTWPWKZ-ZRNGKTOUSA-N 1 0 305.827 2.214 10 0 DEAERO CC(C)(C)C1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000171498074 186169618 /nfs/dbraw/zinc/16/96/18/186169618.db2.gz SSQDQFYCCFEBTP-UHFFFAOYSA-N 1 0 319.453 2.101 10 0 DEAERO [NH3+]CCN1C(=O)S/C(=C/c2cc(Cl)ccc2F)C1=O ZINC000164149888 186150795 /nfs/dbraw/zinc/15/07/95/186150795.db2.gz GTAGNKPCRMLLIR-UXBLZVDNSA-N 1 0 300.742 2.474 10 0 DEAERO CC(C(=O)N(Cc1cccs1)C[C@@H]1CCCO1)=C1C[NH2+]C1 ZINC000164168708 186151135 /nfs/dbraw/zinc/15/11/35/186151135.db2.gz MCVVYKXMFNJFFN-AWEZNQCLSA-N 1 0 306.431 2.175 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N(CCO)CCOC ZINC000164223154 186152526 /nfs/dbraw/zinc/15/25/26/186152526.db2.gz OTFKTWJKSOCZBE-CABCVRRESA-N 1 0 300.830 2.059 10 0 DEAERO COC(=O)CCC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183895236 186228508 /nfs/dbraw/zinc/22/85/08/186228508.db2.gz KXSMVAJKUIBSHO-GFCCVEGCSA-N 1 0 316.195 2.025 10 0 DEAERO [NH3+]Cc1cc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)co1 ZINC000187984817 186239344 /nfs/dbraw/zinc/23/93/44/186239344.db2.gz VVIWTMQCCNKKJO-WBVHZDCISA-N 1 0 314.385 2.467 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000617008722 362995379 /nfs/dbraw/zinc/99/53/79/362995379.db2.gz KUNNQXGPMDICSL-INIZCTEOSA-N 1 0 317.433 2.272 10 0 DEAERO CC(C)(C)c1nnc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000171891157 198002193 /nfs/dbraw/zinc/00/21/93/198002193.db2.gz QQFZZEVHZLIVGJ-SNVBAGLBSA-N 1 0 309.439 2.148 10 0 DEAERO O=C(NCc1cccc2cccnc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171905214 198005258 /nfs/dbraw/zinc/00/52/58/198005258.db2.gz NIAHQOORSDUFKT-INIZCTEOSA-N 1 0 310.401 2.224 10 0 DEAERO COc1ccc(F)cc1[C@@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901775 198005281 /nfs/dbraw/zinc/00/52/81/198005281.db2.gz KTQGKJOAIFYJED-TZMCWYRMSA-N 1 0 321.396 2.385 10 0 DEAERO O=C(NCC1(c2ccc(F)cc2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171902051 198005351 /nfs/dbraw/zinc/00/53/51/198005351.db2.gz RNLKJXUEJIMENU-INIZCTEOSA-N 1 0 317.408 2.347 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccnc(Cl)c2)CC1 ZINC000171922496 198009079 /nfs/dbraw/zinc/00/90/79/198009079.db2.gz LGQMGBWEYPKCIM-INIZCTEOSA-N 1 0 322.884 2.337 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CCCc3ccccc32)CCO1 ZINC000172306682 198076971 /nfs/dbraw/zinc/07/69/71/198076971.db2.gz NKXWYICRLONDDZ-IAGOWNOFSA-N 1 0 316.445 2.286 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3ccccc3n2)[C@H](C)C1 ZINC000172610229 198124122 /nfs/dbraw/zinc/12/41/22/198124122.db2.gz WCTPITGFTLYECZ-ZBFHGGJFSA-N 1 0 314.433 2.066 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NCc1ccc(Cl)cc1 ZINC000172800952 198151437 /nfs/dbraw/zinc/15/14/37/198151437.db2.gz IKAZRZXLTCHXFG-MRXNPFEDSA-N 1 0 321.852 2.126 10 0 DEAERO COc1ccc(C)cc1NC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172805360 198151840 /nfs/dbraw/zinc/15/18/40/198151840.db2.gz OILUZKDRCBPEJA-OAHLLOKOSA-N 1 0 317.433 2.112 10 0 DEAERO O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172907585 198166229 /nfs/dbraw/zinc/16/62/29/198166229.db2.gz HRSBPRRBUWCVPO-KWCYVHTRSA-N 1 0 306.356 2.375 10 0 DEAERO C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333911829 282987033 /nfs/dbraw/zinc/98/70/33/282987033.db2.gz FFUXQPJQSVTIQK-HOTGVXAUSA-N 1 0 323.481 2.367 10 0 DEAERO Cc1nc(C2CC2)oc1-c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000329728270 539927754 /nfs/dbraw/zinc/92/77/54/539927754.db2.gz PACHSWAWUWLHJI-RYUDHWBXSA-N 1 0 316.361 2.446 10 0 DEAERO Cc1oc2nc(C[N@@H+](CCO)[C@@H]3CC[C@@H](C)C3)nc(N)c2c1C ZINC000329851437 539930919 /nfs/dbraw/zinc/93/09/19/539930919.db2.gz QTRLMEXKNNPIFI-ZWNOBZJWSA-N 1 0 318.421 2.405 10 0 DEAERO Cc1nc([C@@H](C)NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cs1 ZINC000332843472 539941380 /nfs/dbraw/zinc/94/13/80/539941380.db2.gz WOBKCOLKMJCNJO-WDEREUQCSA-N 1 0 308.451 2.462 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000173269720 198204453 /nfs/dbraw/zinc/20/44/53/198204453.db2.gz ARYZUZAKNGLRSD-DOMZBBRYSA-N 1 0 314.426 2.070 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(F)c2F)CC[N@@H+]1C ZINC000173274125 198204580 /nfs/dbraw/zinc/20/45/80/198204580.db2.gz FBUIDDIUZSPBHJ-WDEREUQCSA-N 1 0 318.389 2.068 10 0 DEAERO CC[C@@H]1CN(C(=O)Nc2ccc(OC)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000173271127 198204946 /nfs/dbraw/zinc/20/49/46/198204946.db2.gz IOOVZPIOIBAPBF-UKRRQHHQSA-N 1 0 321.421 2.004 10 0 DEAERO O=C(Nc1ccc(-c2ncco2)cc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333098465 539948240 /nfs/dbraw/zinc/94/82/40/539948240.db2.gz BZYMFSCRHZWGFP-KGLIPLIRSA-N 1 0 312.373 2.415 10 0 DEAERO C[C@@]12CN(C(=O)Nc3ncccc3C[NH3+])C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333272730 539954210 /nfs/dbraw/zinc/95/42/10/539954210.db2.gz GHWLKNBBEOFIOK-WFTWPBCJSA-N 1 0 300.406 2.440 10 0 DEAERO CCCCCC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173439904 198214273 /nfs/dbraw/zinc/21/42/73/198214273.db2.gz SZDZKYFCMBLWOM-ZDUSSCGKSA-N 1 0 305.426 2.184 10 0 DEAERO Cc1csc([C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)n1 ZINC000173506443 198221621 /nfs/dbraw/zinc/22/16/21/198221621.db2.gz WYPNCUUZALVOQQ-ZIAGYGMSSA-N 1 0 320.462 2.392 10 0 DEAERO Cc1cc2cc(CNC(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)ccc2[nH]1 ZINC000333613094 539965737 /nfs/dbraw/zinc/96/57/37/539965737.db2.gz QVRYNHKFMDQFIP-HOCLYGCPSA-N 1 0 312.417 2.227 10 0 DEAERO C[C@H](C[NH2+]CC1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000182072394 199383802 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ZINC000236787642 202008071 /nfs/dbraw/zinc/00/80/71/202008071.db2.gz XRPIPUGGBUXUKE-INIZCTEOSA-N 1 0 318.417 2.292 10 0 DEAERO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236784741 202008402 /nfs/dbraw/zinc/00/84/02/202008402.db2.gz VPBUGIZPQKYNRT-GJZGRUSLSA-N 1 0 319.453 2.147 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)NCc1cscn1)c1ccc(F)cc1 ZINC000051310661 354383049 /nfs/dbraw/zinc/38/30/49/354383049.db2.gz HEKYWUGFCFAAJV-CQSZACIVSA-N 1 0 322.409 2.384 10 0 DEAERO CC(=O)c1c[nH]c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000056352343 354530030 /nfs/dbraw/zinc/53/00/30/354530030.db2.gz WKDFQZNJJWEVFB-MRXNPFEDSA-N 1 0 313.401 2.120 10 0 DEAERO c1cc2c(cc1C1(CNC3=[NH+]CCCN3)CCCC1)OCCO2 ZINC000066242132 354705815 /nfs/dbraw/zinc/70/58/15/354705815.db2.gz RBKINNAAAUOYQB-UHFFFAOYSA-N 1 0 315.417 2.209 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(OCCOC)cc1 ZINC000177043787 198655767 /nfs/dbraw/zinc/65/57/67/198655767.db2.gz MSEZXRPRCRNDNH-INIZCTEOSA-N 1 0 320.433 2.268 10 0 DEAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000261780003 291055183 /nfs/dbraw/zinc/05/51/83/291055183.db2.gz KBRUNCMYPHXZSQ-QWRGUYRKSA-N 1 0 306.793 2.312 10 0 DEAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1(CCO)CCCCC1 ZINC000360801049 283083266 /nfs/dbraw/zinc/08/32/66/283083266.db2.gz PRBXSZISUQBOIW-OAHLLOKOSA-N 1 0 313.486 2.491 10 0 DEAERO CCCNC(=O)c1ccc(N2CCC[N@H+](CCC)CC2)nc1 ZINC000078251243 355248987 /nfs/dbraw/zinc/24/89/87/355248987.db2.gz YOWOGTNRQASZTI-UHFFFAOYSA-N 1 0 304.438 2.144 10 0 DEAERO COCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000074792104 191361862 /nfs/dbraw/zinc/36/18/62/191361862.db2.gz OCCLWPWELSIQAO-MQVJKMGUSA-N 1 0 309.454 2.070 10 0 DEAERO C[C@@H](NCc1nn(C)cc1Br)C1CC[NH+](C)CC1 ZINC000393346297 540138141 /nfs/dbraw/zinc/13/81/41/540138141.db2.gz CNGQBZGEVMPKCM-SNVBAGLBSA-N 1 0 315.259 2.003 10 0 DEAERO C[NH2+][C@@](C)(CO)C[C@H](C)n1nc(C)c(Br)c1C ZINC000085262398 192486704 /nfs/dbraw/zinc/48/67/04/192486704.db2.gz ZEAGJPSXZUBFQT-QPUJVOFHSA-N 1 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ZINC000181508090 356083936 /nfs/dbraw/zinc/08/39/36/356083936.db2.gz DRSVDASCZIBVBN-UHFFFAOYSA-N 1 0 312.454 2.299 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181548469 356085129 /nfs/dbraw/zinc/08/51/29/356085129.db2.gz JOIMFOMCLKXHJJ-UONOGXRCSA-N 1 0 317.433 2.066 10 0 DEAERO CNC(=O)[C@@H]1C[C@H](c2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC000080129553 192003988 /nfs/dbraw/zinc/00/39/88/192003988.db2.gz XEHQKPNLUQMTAJ-KOLCDFICSA-N 1 0 302.296 2.167 10 0 DEAERO CCC1CCC(NS(=O)(=O)CC(C)(C)C)(C(N)=[NH2+])CC1 ZINC000080194312 192011192 /nfs/dbraw/zinc/01/11/92/192011192.db2.gz LKSXJNYJCQOAIG-UHFFFAOYSA-N 1 0 303.472 2.227 10 0 DEAERO CC(C)C[NH2+]C[C@@H]1CCCN(S(=O)(=O)CC(C)(C)C)C1 ZINC000080194009 192011284 /nfs/dbraw/zinc/01/12/84/192011284.db2.gz PESWTYFFMYVADG-AWEZNQCLSA-N 1 0 304.500 2.320 10 0 DEAERO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC2(C)CCC2)CC1 ZINC000183614980 356177621 /nfs/dbraw/zinc/17/76/21/356177621.db2.gz PYECDANLZLUOQR-CQSZACIVSA-N 1 0 324.465 2.347 10 0 DEAERO CCC[C@H](CC)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184976534 356200487 /nfs/dbraw/zinc/20/04/87/356200487.db2.gz VSVZJLIDPOCXFW-HOCLYGCPSA-N 1 0 313.486 2.299 10 0 DEAERO CC(C)c1nnc(CN2CC[NH+](CCC(C)(C)C)CC2)n1C ZINC000195101894 356249875 /nfs/dbraw/zinc/24/98/75/356249875.db2.gz LBGOPJLSOLKGTR-UHFFFAOYSA-N 1 0 307.486 2.492 10 0 DEAERO CCOC(=O)C[C@@H]([NH3+])c1cc(OC)ccc1Br ZINC000228763402 356281068 /nfs/dbraw/zinc/28/10/68/356281068.db2.gz BNSNSRKHJRJHRT-LLVKDONJSA-N 1 0 302.168 2.411 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000228726099 356281402 /nfs/dbraw/zinc/28/14/02/356281402.db2.gz ANABXYORAWYTMQ-JFGNBEQYSA-N 1 0 322.232 2.340 10 0 DEAERO CCOC(=O)C(C(=O)OCC)[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000199147035 356265981 /nfs/dbraw/zinc/26/59/81/356265981.db2.gz VYKKMRGMOLNTJO-OAHLLOKOSA-N 1 0 307.390 2.340 10 0 DEAERO COC(=O)c1nc(N)sc1-c1cc2cc(C[NH3+])ccc2[nH]1 ZINC000222962769 356275284 /nfs/dbraw/zinc/27/52/84/356275284.db2.gz JMJQPLYQUZWJMS-UHFFFAOYSA-N 1 0 302.359 2.119 10 0 DEAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(=O)n(C)c2)C1 ZINC000194790151 356245003 /nfs/dbraw/zinc/24/50/03/356245003.db2.gz UZUSWQFPLSHNAL-CQSZACIVSA-N 1 0 320.437 2.019 10 0 DEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000085368309 192496395 /nfs/dbraw/zinc/49/63/95/192496395.db2.gz HTCGWPQQVJVJMF-CBBWQLFWSA-N 1 0 312.479 2.017 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3ccnc3C2)[C@H]1c1ccccc1 ZINC000247914438 356320917 /nfs/dbraw/zinc/32/09/17/356320917.db2.gz AUVAELWREBMFRB-XYJFISCASA-N 1 0 324.428 2.007 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@](C)(C[NH3+])C2CC2)c1 ZINC000262641662 356343123 /nfs/dbraw/zinc/34/31/23/356343123.db2.gz SDMHDCCIOIJFRH-DJCROIMJSA-N 1 0 315.417 2.138 10 0 DEAERO C[C@H]([NH2+]CC1(CCO)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400725582 283158602 /nfs/dbraw/zinc/15/86/02/283158602.db2.gz PIFONAUOZDNRGI-UONOGXRCSA-N 1 0 312.454 2.384 10 0 DEAERO COC[C@@H]1CCN(c2nc3sccn3c2C[NH2+]C2CC2)C1 ZINC000081072607 192222319 /nfs/dbraw/zinc/22/23/19/192222319.db2.gz CICQGHNJNDQPHX-LLVKDONJSA-N 1 0 306.435 2.121 10 0 DEAERO [NH3+]Cc1c(I)nccc1C(F)(F)F ZINC000307023377 356407013 /nfs/dbraw/zinc/40/70/13/356407013.db2.gz FPZQVODPMJNVOH-UHFFFAOYSA-N 1 0 302.037 2.164 10 0 DEAERO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000328627274 356463044 /nfs/dbraw/zinc/46/30/44/356463044.db2.gz FZKSZFOXAMPXHR-LNSITVRQSA-N 1 0 308.426 2.373 10 0 DEAERO O=C(CCc1ccncc1)N(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328640796 356466105 /nfs/dbraw/zinc/46/61/05/356466105.db2.gz QEPRNUVRWKRZDX-SFHVURJKSA-N 1 0 324.428 2.048 10 0 DEAERO C[N@H+](CC1CC1)C[C@@H]1CN(Cc2ccc3c[nH]nc3c2)CCO1 ZINC000328656518 356466868 /nfs/dbraw/zinc/46/68/68/356466868.db2.gz ZJNBIIFOOJSRSU-QGZVFWFLSA-N 1 0 314.433 2.106 10 0 DEAERO CCC[C@@H]([NH3+])[C@H](CC)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533671 192284699 /nfs/dbraw/zinc/28/46/99/192284699.db2.gz BIKGKCJMZDOCOB-ZJUUUORDSA-N 1 0 305.348 2.019 10 0 DEAERO CCC[NH2+][C@@H](C)c1sc(N2CCn3cnnc3C2)nc1C ZINC000081544047 192288320 /nfs/dbraw/zinc/28/83/20/192288320.db2.gz WXJQJHHBCMRHNN-JTQLQIEISA-N 1 0 306.439 2.124 10 0 DEAERO Brc1nnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000081664128 192307212 /nfs/dbraw/zinc/30/72/12/192307212.db2.gz AYHLBZUWJYDJPG-SFYZADRCSA-N 1 0 303.229 2.339 10 0 DEAERO CC[C@@H](NC(=O)CCC1CC[NH2+]CC1)c1c(C)nn(C)c1C ZINC000236886860 202052778 /nfs/dbraw/zinc/05/27/78/202052778.db2.gz NSLGPFWPOMSHJW-OAHLLOKOSA-N 1 0 306.454 2.384 10 0 DEAERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000237064552 202138870 /nfs/dbraw/zinc/13/88/70/202138870.db2.gz ZDJGYQIUPQRQOH-ZRNGKTOUSA-N 1 0 302.827 2.013 10 0 DEAERO COC(=O)[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000380967445 356669930 /nfs/dbraw/zinc/66/99/30/356669930.db2.gz DHIITIAWMSXYOS-FUHWJXTLSA-N 1 0 316.445 2.440 10 0 DEAERO COC(=O)[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000380967447 356670390 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YOOMDPWVJIXCQP-INIZCTEOSA-N 1 0 310.401 2.224 10 0 DEAERO c1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)n(CCc2ccccc2)n1 ZINC000621340682 364360144 /nfs/dbraw/zinc/36/01/44/364360144.db2.gz NKULFHCXGLPQEF-KRWDZBQOSA-N 1 0 321.428 2.496 10 0 DEAERO c1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)n(CCc2ccccc2)n1 ZINC000621355842 364367012 /nfs/dbraw/zinc/36/70/12/364367012.db2.gz YZOLCHLHJRRKTD-MRXNPFEDSA-N 1 0 321.428 2.496 10 0 DEAERO Cn1cncc1[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2OCO3)CCO1 ZINC000275399907 212310701 /nfs/dbraw/zinc/31/07/01/212310701.db2.gz CLEHTMPPIBJAKN-BBRMVZONSA-N 1 0 315.373 2.159 10 0 DEAERO CS(=O)(=O)c1cccc(C[NH2+]C2(CCO)CCCCC2)c1 ZINC000449183085 240160485 /nfs/dbraw/zinc/16/04/85/240160485.db2.gz KQFKKVVXCLRRKL-UHFFFAOYSA-N 1 0 311.447 2.265 10 0 DEAERO COc1ccc(-n2cc(C[N@@H+]3CC[C@H](CO)[C@@H]3C)cn2)cc1 ZINC000449290820 240311760 /nfs/dbraw/zinc/31/17/60/240311760.db2.gz YYGOMCILQWNXEO-DZGCQCFKSA-N 1 0 301.390 2.084 10 0 DEAERO COc1cc(F)cc(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c1 ZINC000449312625 240344265 /nfs/dbraw/zinc/34/42/65/240344265.db2.gz RIFWQHNOEPGXGX-CVEARBPZSA-N 1 0 321.396 2.211 10 0 DEAERO COc1ccc(Cl)c(NC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000091290574 193031293 /nfs/dbraw/zinc/03/12/93/193031293.db2.gz HNAHZCVNGMXWAJ-SECBINFHSA-N 1 0 300.811 2.382 10 0 DEAERO CN(CC1CC(O)C1)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000091451485 193058623 /nfs/dbraw/zinc/05/86/23/193058623.db2.gz QHVNYXLZBUIKCH-UDNWOFFPSA-N 1 0 319.268 2.213 10 0 DEAERO CC(C)(C)[NH2+]Cc1cncc(-n2cc(Br)cn2)n1 ZINC000091422428 193053836 /nfs/dbraw/zinc/05/38/36/193053836.db2.gz KPRSUEHWHDCZCA-UHFFFAOYSA-N 1 0 310.199 2.313 10 0 DEAERO C[C@](O)(C[NH3+])Cc1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000091522065 193069026 /nfs/dbraw/zinc/06/90/26/193069026.db2.gz XPYCTCRXGAIEHB-CYBMUJFWSA-N 1 0 316.188 2.219 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(Sc3nc[nH]n3)cc2)C1 ZINC000091543586 193071497 /nfs/dbraw/zinc/07/14/97/193071497.db2.gz LTXWFYAOIUXAJO-NXEZZACHSA-N 1 0 303.391 2.022 10 0 DEAERO c1nnc2ccc(N3CC[C@@H]([NH2+][C@@H]4CCCC45CCC5)C3)nn12 ZINC000624117813 365295597 /nfs/dbraw/zinc/29/55/97/365295597.db2.gz WPKBCBFNVDDNSX-ZIAGYGMSSA-N 1 0 312.421 2.015 10 0 DEAERO CN(CC1CC([NH3+])C1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000091473411 193061462 /nfs/dbraw/zinc/06/14/62/193061462.db2.gz PPVNIMUFJJWAJO-UHFFFAOYSA-N 1 0 322.352 2.154 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Br)cc1O ZINC000091496575 193063663 /nfs/dbraw/zinc/06/36/63/193063663.db2.gz FRHIFHODJXVQEM-KWQFWETISA-N 1 0 313.195 2.025 10 0 DEAERO COc1c(C)cc(C[N@H+](C)[C@@H](C)CN2CCOCC2)cc1C ZINC000091510286 193066613 /nfs/dbraw/zinc/06/66/13/193066613.db2.gz JRUKLKKUPNXCHQ-INIZCTEOSA-N 1 0 306.450 2.465 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH3+])C1(N(C)C)CCCCCC1 ZINC000091654048 193085384 /nfs/dbraw/zinc/08/53/84/193085384.db2.gz YTBJVMSRRTXAMB-AWEZNQCLSA-N 1 0 304.500 2.183 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Br)s1 ZINC000091667432 193088074 /nfs/dbraw/zinc/08/80/74/193088074.db2.gz FZBXFOIFCQQZPV-NXEZZACHSA-N 1 0 319.268 2.492 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1OC(F)F ZINC000091667761 193088514 /nfs/dbraw/zinc/08/85/14/193088514.db2.gz YQTQZUHQCYFOMT-VXGBXAGGSA-N 1 0 300.349 2.269 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc(Br)c1 ZINC000091666883 193088571 /nfs/dbraw/zinc/08/85/71/193088571.db2.gz YBZFUXJCOJLHOY-FZMZJTMJSA-N 1 0 313.239 2.430 10 0 DEAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOc1ccc(F)cc1Cl ZINC000091741665 193100359 /nfs/dbraw/zinc/10/03/59/193100359.db2.gz XRKWUTXBPVQMSN-QWRGUYRKSA-N 1 0 314.788 2.444 10 0 DEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)C1(N(C)C)CCCC1 ZINC000091637904 193083228 /nfs/dbraw/zinc/08/32/28/193083228.db2.gz CHBMFYAHKLCTEG-CQSZACIVSA-N 1 0 304.500 2.054 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000624415596 365415436 /nfs/dbraw/zinc/41/54/36/365415436.db2.gz UFIQPVXMJWJOPY-OIBJUYFYSA-N 1 0 309.218 2.022 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000624415640 365415847 /nfs/dbraw/zinc/41/58/47/365415847.db2.gz VESZKTWQXONNFF-IONNQARKSA-N 1 0 309.218 2.022 10 0 DEAERO c1cn([C@H]2CCCN(c3nc4ccccc4n4cncc34)C2)nn1 ZINC000624295369 365370408 /nfs/dbraw/zinc/37/04/08/365370408.db2.gz AMSKZFHBPKWAAQ-ZDUSSCGKSA-N 1 0 319.372 2.316 10 0 DEAERO CCOC(=O)c1nc(CN(CC)C2CCC([NH3+])CC2)cs1 ZINC000091851017 193118252 /nfs/dbraw/zinc/11/82/52/193118252.db2.gz XZBHCQJNKGOXPM-UHFFFAOYSA-N 1 0 311.451 2.412 10 0 DEAERO COC(=O)[C@H](O)C1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000092014740 193142693 /nfs/dbraw/zinc/14/26/93/193142693.db2.gz SBMWFQJCVRBHBJ-MRXNPFEDSA-N 1 0 321.417 2.058 10 0 DEAERO C[C@](O)(c1cccc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000091905867 193125085 /nfs/dbraw/zinc/12/50/85/193125085.db2.gz WHEVXHWFGXJRSN-ZDUSSCGKSA-N 1 0 314.223 2.412 10 0 DEAERO Clc1ccccc1[C@@H](CNC1=[NH+]CCCN1)N1CCCC1 ZINC000624514541 365453741 /nfs/dbraw/zinc/45/37/41/365453741.db2.gz IGSBKIGNQSKQIN-OAHLLOKOSA-N 1 0 306.841 2.416 10 0 DEAERO Brc1ccc2c(c1)N(C[C@H]1C[NH2+]CCO1)CC21CC1 ZINC000629558584 367251411 /nfs/dbraw/zinc/25/14/11/367251411.db2.gz JTBDMDGAYNODGH-GFCCVEGCSA-N 1 0 323.234 2.289 10 0 DEAERO c1c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605021 242007414 /nfs/dbraw/zinc/00/74/14/242007414.db2.gz YDAHVZBHLBPXMF-YJBOKZPZSA-N 1 0 315.465 2.137 10 0 DEAERO Fc1c(Br)ccc(CNC2=[NH+]CCCN2)c1F ZINC000630387687 367626514 /nfs/dbraw/zinc/62/65/14/367626514.db2.gz WVUNLRYTYRSEJM-UHFFFAOYSA-N 1 0 304.138 2.166 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000450814676 242259101 /nfs/dbraw/zinc/25/91/01/242259101.db2.gz ZEXZYNMDOVDHBP-BJOHPYRUSA-N 1 0 311.332 2.422 10 0 DEAERO C[C@H]1C[N@H+](CC(=O)Nc2nc3ccc(N)cc3s2)C[C@H]1C ZINC000092080681 193155091 /nfs/dbraw/zinc/15/50/91/193155091.db2.gz DFDPWYHWLSEXQN-AOOOYVTPSA-N 1 0 304.419 2.405 10 0 DEAERO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CC[C@@H](C)O ZINC000450843881 242298998 /nfs/dbraw/zinc/29/89/98/242298998.db2.gz OTTOYXUHMLVYBY-CRAIPNDOSA-N 1 0 305.418 2.398 10 0 DEAERO C[NH2+]CCOCCNc1ncc(Cl)cc1Br ZINC000630531683 367711112 /nfs/dbraw/zinc/71/11/12/367711112.db2.gz YSJNKJZQPHZZRR-UHFFFAOYSA-N 1 0 308.607 2.145 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)ccc1Cl ZINC000092113534 193161240 /nfs/dbraw/zinc/16/12/40/193161240.db2.gz YNJORLAKJBOKPN-PHIMTYICSA-N 1 0 316.854 2.336 10 0 DEAERO CC[NH2+]Cc1ccc(F)c(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1 ZINC000092113458 193161440 /nfs/dbraw/zinc/16/14/40/193161440.db2.gz PLDXHFDLOIEUHN-VXGBXAGGSA-N 1 0 314.426 2.212 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(F)c1 ZINC000092115532 193163027 /nfs/dbraw/zinc/16/30/27/193163027.db2.gz ADPLLJOJXCHASU-RYUDHWBXSA-N 1 0 314.426 2.212 10 0 DEAERO CN(C1CCCCC1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115521 193163366 /nfs/dbraw/zinc/16/33/66/193163366.db2.gz RHBJHUAHKHRNMR-UHFFFAOYSA-N 1 0 300.399 2.238 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H](C)C2)c(F)c1 ZINC000092115866 193164577 /nfs/dbraw/zinc/16/45/77/193164577.db2.gz CCXTVAAWQISARK-GFCCVEGCSA-N 1 0 314.426 2.356 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000451496400 243029489 /nfs/dbraw/zinc/02/94/89/243029489.db2.gz LYEDPPDQGHNOAF-LZLYRXPVSA-N 1 0 305.418 2.300 10 0 DEAERO C(c1nnc(C2CC2)n1C1CC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889573 368445594 /nfs/dbraw/zinc/44/55/94/368445594.db2.gz HOMDLBIBAOGSLY-DZGCQCFKSA-N 1 0 301.438 2.064 10 0 DEAERO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC000631968360 368472286 /nfs/dbraw/zinc/47/22/86/368472286.db2.gz UMANGJNKRQLDIH-IUCAKERBSA-N 1 0 323.245 2.209 10 0 DEAERO [NH3+][C@@H]1CCCCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000631959855 368467671 /nfs/dbraw/zinc/46/76/71/368467671.db2.gz CQMCRRLBCAUGNR-SNVBAGLBSA-N 1 0 320.817 2.371 10 0 DEAERO c1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CN3CCC[C@@H]3CO1)S2 ZINC000092260472 193182461 /nfs/dbraw/zinc/18/24/61/193182461.db2.gz JOYVDGJGLPTXOE-OWCLPIDISA-N 1 0 304.459 2.156 10 0 DEAERO O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252671324 202868070 /nfs/dbraw/zinc/86/80/70/202868070.db2.gz ONWNFMCDVHYCKK-ZENOOKHLSA-N 1 0 312.417 2.142 10 0 DEAERO CSc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261925802 203153151 /nfs/dbraw/zinc/15/31/51/203153151.db2.gz LBUFPXCRSMWWDQ-OLZOCXBDSA-N 1 0 316.430 2.084 10 0 DEAERO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000262080480 203192149 /nfs/dbraw/zinc/19/21/49/203192149.db2.gz TVIMBNMCPOKYNS-FWYOQMDTSA-N 1 0 306.381 2.242 10 0 DEAERO [NH3+]C[C@H](c1cccc(F)c1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000093164849 193209701 /nfs/dbraw/zinc/20/97/01/193209701.db2.gz JMNWZDBNDWIQPF-HUUCEWRRSA-N 1 0 305.374 2.439 10 0 DEAERO CC[NH2+]C[C@H](c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000093147625 193208651 /nfs/dbraw/zinc/20/86/51/193208651.db2.gz SLQNZSOOVMOYBG-GXTWGEPZSA-N 1 0 301.839 2.468 10 0 DEAERO CCn1ncnc1C[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000093167409 193210036 /nfs/dbraw/zinc/21/00/36/193210036.db2.gz HHEUOMXQUJBEOZ-NSHDSACASA-N 1 0 309.211 2.346 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@]12CC[NH2+]C[C@@H]2c1ccccc1F ZINC000093184170 193212382 /nfs/dbraw/zinc/21/23/82/193212382.db2.gz MXIBVQYIAFELOD-BMFZPTHFSA-N 1 0 311.422 2.486 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](OCC(=O)Nc2ccc(Br)cc2)C1 ZINC000093216638 193217617 /nfs/dbraw/zinc/21/76/17/193217617.db2.gz SYAWUTIDDLLLEC-ZYHUDNBSSA-N 1 0 313.195 2.284 10 0 DEAERO CCCNS(=O)(=O)c1ccccc1O[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000093220167 193218440 /nfs/dbraw/zinc/21/84/40/193218440.db2.gz XFKJSSYLENKFBY-CHWSQXEVSA-N 1 0 312.435 2.024 10 0 DEAERO COCCN1C(=[NH2+])NC[C@H]1c1ccc(Br)c(C)c1 ZINC000093380448 193240434 /nfs/dbraw/zinc/24/04/34/193240434.db2.gz KDRARRFYIVLTFN-LBPRGKRZSA-N 1 0 312.211 2.075 10 0 DEAERO C[C@@H](Cc1cccs1)N(C)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000093292162 193225155 /nfs/dbraw/zinc/22/51/55/193225155.db2.gz RDLZNSOMHLZQGZ-STQMWFEESA-N 1 0 316.492 2.083 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)C1 ZINC000262657474 203368863 /nfs/dbraw/zinc/36/88/63/203368863.db2.gz ZNYNUQZNTVMEPV-REWJHTLYSA-N 1 0 308.447 2.290 10 0 DEAERO NC1=[NH+]C[C@H]([C@@H]2CCCOC2)N1c1ccc(Br)cc1 ZINC000093386526 193241770 /nfs/dbraw/zinc/24/17/70/193241770.db2.gz YXCBQNYAODDTNE-ZWNOBZJWSA-N 1 0 324.222 2.379 10 0 DEAERO CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CC(C)(C)S(C)(=O)=O ZINC000093525843 193263821 /nfs/dbraw/zinc/26/38/21/193263821.db2.gz DKEBFNPWHKDKCT-ZIAGYGMSSA-N 1 0 318.527 2.154 10 0 DEAERO CC[C@H](C)[C@@H]1CN(CC(C)(C)S(C)(=O)=O)[C@H](C(C)C)C[NH2+]1 ZINC000093525819 193264230 /nfs/dbraw/zinc/26/42/30/193264230.db2.gz WJDXQYUPKIHALT-KKUMJFAQSA-N 1 0 318.527 2.154 10 0 DEAERO CC[NH2+][C@]1(CO)CCC[C@H]1CCn1cc(Br)cn1 ZINC000093618847 193275453 /nfs/dbraw/zinc/27/54/53/193275453.db2.gz LWOWFOZUNMALQV-AAEUAGOBSA-N 1 0 316.243 2.176 10 0 DEAERO CC[NH2+][C@H](Cc1c(Br)c(CC)nn1C)[C@H](C)OC ZINC000093690688 193290103 /nfs/dbraw/zinc/29/01/03/193290103.db2.gz DTRACTNLVBCENN-GXSJLCMTSA-N 1 0 318.259 2.301 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCCC1 ZINC000093696813 193291988 /nfs/dbraw/zinc/29/19/88/193291988.db2.gz IJWQXRLCFHUPMJ-KBPBESRZSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@]([NH3+])(Cc1ccccc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699213 193293163 /nfs/dbraw/zinc/29/31/63/193293163.db2.gz PRVGTIYIIKLYGC-CVEARBPZSA-N 1 0 310.463 2.008 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000093700273 193293928 /nfs/dbraw/zinc/29/39/28/193293928.db2.gz ULEBUHQJMRRBLH-WFASDCNBSA-N 1 0 314.426 2.148 10 0 DEAERO CC(C)C[NH2+]CC1(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093701643 193294709 /nfs/dbraw/zinc/29/47/09/193294709.db2.gz PQTWYVPLJYFXPF-AWEZNQCLSA-N 1 0 302.484 2.074 10 0 DEAERO C[C@@H]1CCC[C@](C[NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093702769 193295450 /nfs/dbraw/zinc/29/54/50/193295450.db2.gz OJEGRYFOGUTLQT-QLFBSQMISA-N 1 0 302.484 2.203 10 0 DEAERO C/C(=C/CC[NH2+]C(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093703164 193295792 /nfs/dbraw/zinc/29/57/92/193295792.db2.gz KOOFDYLQTHJUIB-XIEDVDOYSA-N 1 0 302.484 2.383 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2cc3cc(OC)ccc3o2)CC1 ZINC000093740457 193298031 /nfs/dbraw/zinc/29/80/31/193298031.db2.gz BWSDRCXASGXVBN-HNNXBMFYSA-N 1 0 318.417 2.330 10 0 DEAERO COC(=O)[C@@]1(N)CCC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093756677 193302193 /nfs/dbraw/zinc/30/21/93/193302193.db2.gz IPISGOAFRIKOGT-WCQYABFASA-N 1 0 308.344 2.074 10 0 DEAERO COC(=O)[C@@]1([NH3+])CCC[C@@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093777623 193304995 /nfs/dbraw/zinc/30/49/95/193304995.db2.gz YVOCPADVFKGUKU-MEBBXXQBSA-N 1 0 305.403 2.468 10 0 DEAERO Cc1cnc(S[C@H]2CCC[C@]([NH2+]C(C)C)(C(N)=O)C2)nc1 ZINC000093778965 193306600 /nfs/dbraw/zinc/30/66/00/193306600.db2.gz ALMZRQMHZVHXKX-SWLSCSKDSA-N 1 0 308.451 2.042 10 0 DEAERO C[NH2+][C@@]1(CO)CCC[C@@H](n2nc(C)c(Br)c2C)C1 ZINC000093783891 193307749 /nfs/dbraw/zinc/30/77/49/193307749.db2.gz AVJHFLKLDDAGSS-YPMHNXCESA-N 1 0 316.243 2.328 10 0 DEAERO COC(=O)c1sccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093677449 193288304 /nfs/dbraw/zinc/28/83/04/193288304.db2.gz OBFYRPUNLQEWQF-FGWVZKOKSA-N 1 0 308.403 2.394 10 0 DEAERO CC1(C)C([NH3+])C(C)(C)C1NS(=O)(=O)c1ccc(Cl)s1 ZINC000094006542 193338140 /nfs/dbraw/zinc/33/81/40/193338140.db2.gz MTUSERIIHYPJQS-UHFFFAOYSA-N 1 0 322.883 2.442 10 0 DEAERO COc1cc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc2c1OCCO2 ZINC000093821904 193313424 /nfs/dbraw/zinc/31/34/24/193313424.db2.gz XZJVESCZIYBGJO-OAHLLOKOSA-N 1 0 309.406 2.305 10 0 DEAERO CCN[C@]1(C(=O)OCC)CC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093831814 193314250 /nfs/dbraw/zinc/31/42/50/193314250.db2.gz XTDLLINJQPRBBA-DGCLKSJQSA-N 1 0 310.360 2.335 10 0 DEAERO CC[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2ccc(F)c(F)c2)C1 ZINC000093848796 193318074 /nfs/dbraw/zinc/31/80/74/193318074.db2.gz CPNSWLIREOXDHC-YGRLFVJLSA-N 1 0 300.374 2.443 10 0 DEAERO CCOC(=O)[C@]1([NH3+])CC[C@@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093850331 193318104 /nfs/dbraw/zinc/31/81/04/193318104.db2.gz CXHHLSBOICZDRC-BMIGLBTASA-N 1 0 305.403 2.468 10 0 DEAERO CCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(F)cc1Cl ZINC000093878114 193322579 /nfs/dbraw/zinc/32/25/79/193322579.db2.gz QVZCIAAFSIEAGH-UHFFFAOYSA-N 1 0 322.833 2.475 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@H]1CN(C)CCN1C ZINC000093895946 193325190 /nfs/dbraw/zinc/32/51/90/193325190.db2.gz OCHSIGYCSFPDIM-IAGOWNOFSA-N 1 0 309.885 2.497 10 0 DEAERO CCN1CCO[C@@H]([C@@H](Cc2cc(Cl)ccc2OC)[NH2+]C)C1 ZINC000093914212 193328565 /nfs/dbraw/zinc/32/85/65/193328565.db2.gz UZGGFLGPACCAMH-GDBMZVCRSA-N 1 0 312.841 2.200 10 0 DEAERO CC[NH2+][C@@H](Cc1nccs1)C1(N2CCOCC2)CCCC1 ZINC000094253631 193355672 /nfs/dbraw/zinc/35/56/72/193355672.db2.gz IZNTXEVAMCTTMD-AWEZNQCLSA-N 1 0 309.479 2.309 10 0 DEAERO CC[NH2+][C@H](c1ccccc1)[C@@H](CC)N(C)CCS(C)(=O)=O ZINC000094298147 193357851 /nfs/dbraw/zinc/35/78/51/193357851.db2.gz FMZCQQPWCDLOKK-HZPDHXFCSA-N 1 0 312.479 2.092 10 0 DEAERO C[NH2+][C@@H]1[C@@H](CN2CCN(c3nccs3)CC2)CCC1(C)C ZINC000094315991 193359366 /nfs/dbraw/zinc/35/93/66/193359366.db2.gz SKPZDFSHAIAGIO-ZIAGYGMSSA-N 1 0 308.495 2.289 10 0 DEAERO C[NH+](C)CCCCNc1nc(C(F)(F)F)ccc1C(N)=S ZINC000094336127 193360854 /nfs/dbraw/zinc/36/08/54/193360854.db2.gz CYGPKZDVOHLPNS-UHFFFAOYSA-N 1 0 320.384 2.488 10 0 DEAERO CN(CCC[NH+](C)C)c1nc(C(F)(F)F)ccc1C(N)=S ZINC000094336204 193361099 /nfs/dbraw/zinc/36/10/99/193361099.db2.gz GTHHSCOJPNFJOP-UHFFFAOYSA-N 1 0 320.384 2.123 10 0 DEAERO CCCCNC(=O)[C@@H](C)Oc1c(F)cc(CC[NH3+])cc1F ZINC000094349780 193363196 /nfs/dbraw/zinc/36/31/96/193363196.db2.gz FFACFWYEMDJLGQ-SNVBAGLBSA-N 1 0 300.349 2.150 10 0 DEAERO CCCCCNC(=O)[C@H](C)Oc1c(F)cc(C[NH3+])cc1F ZINC000094346199 193363204 /nfs/dbraw/zinc/36/32/04/193363204.db2.gz ZAYDUJDNBBNKEU-JTQLQIEISA-N 1 0 300.349 2.497 10 0 DEAERO CC[C@H](C)NC(=O)[C@H](C)Oc1c(F)cc(CC[NH3+])cc1F ZINC000094349655 193363679 /nfs/dbraw/zinc/36/36/79/193363679.db2.gz KFVWCIUDNGJMRH-UWVGGRQHSA-N 1 0 300.349 2.148 10 0 DEAERO NC(=O)c1ccc(Cl)cc1N(CC1CC[NH2+]CC1)C1CC1 ZINC000094044617 193340497 /nfs/dbraw/zinc/34/04/97/193340497.db2.gz YZWGFNCEPPJHCJ-UHFFFAOYSA-N 1 0 307.825 2.407 10 0 DEAERO CC[NH2+][C@@H](c1cc(C)c(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000094077965 193344155 /nfs/dbraw/zinc/34/41/55/193344155.db2.gz ZFQRTMAGRWTXCM-IINYFYTJSA-N 1 0 303.374 2.359 10 0 DEAERO CC[C@@H]([NH3+])[C@@](O)(Cc1nc2ccccc2n1C)C(F)(F)F ZINC000094167409 193347161 /nfs/dbraw/zinc/34/71/61/193347161.db2.gz XUJVLDWRQBICAF-YPMHNXCESA-N 1 0 301.312 2.147 10 0 DEAERO CCCn1c2ccccc2nc1C[C@@](O)(C[NH3+])C(F)(F)F ZINC000094167446 193347205 /nfs/dbraw/zinc/34/72/05/193347205.db2.gz BJLQEJWNTFLQKZ-CYBMUJFWSA-N 1 0 301.312 2.241 10 0 DEAERO CC[C@](C)([NH3+])C(=O)NCc1cc(Br)ccc1F ZINC000094237139 193353619 /nfs/dbraw/zinc/35/36/19/193353619.db2.gz QQGOUMVLWARVNA-LBPRGKRZSA-N 1 0 303.175 2.332 10 0 DEAERO CC[NH2+][C@@H](C)c1cc(F)ccc1O[C@@H]1CCS(=O)(=O)C1 ZINC000094618893 193385595 /nfs/dbraw/zinc/38/55/95/193385595.db2.gz IHOJRYRMXQDDLJ-CMPLNLGQSA-N 1 0 301.383 2.062 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@H](N(CCC[NH3+])c2ccccc2)C1 ZINC000094634600 193386653 /nfs/dbraw/zinc/38/66/53/193386653.db2.gz RGUHEHCPODKRKO-HZPDHXFCSA-N 1 0 310.463 2.198 10 0 DEAERO CNC(=O)c1cc(NC(=O)[C@H](C[NH3+])CC(C)C)ccc1Cl ZINC000094698241 193391750 /nfs/dbraw/zinc/39/17/50/193391750.db2.gz NZKKZQRXSKHXKO-JTQLQIEISA-N 1 0 311.813 2.259 10 0 DEAERO NC(=S)C1CC[NH+]([C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094376129 193367153 /nfs/dbraw/zinc/36/71/53/193367153.db2.gz BBECGWKROMFNGG-GXTWGEPZSA-N 1 0 300.493 2.039 10 0 DEAERO CC1(C)CCSC[C@@H]1[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000094483135 193372253 /nfs/dbraw/zinc/37/22/53/193372253.db2.gz HNNCEAZVNSKIMF-HIFRSBDPSA-N 1 0 309.479 2.374 10 0 DEAERO C[C@H]1C[C@@](C[NH3+])(N2CCN(c3ccccc3F)CC2)CS1 ZINC000094473345 193372286 /nfs/dbraw/zinc/37/22/86/193372286.db2.gz JWAPQTIXNAONTD-BBRMVZONSA-N 1 0 309.454 2.171 10 0 DEAERO CCc1nn(CC)c(C[C@@H]([NH3+])[C@H]2CSCCO2)c1Cl ZINC000094502679 193374245 /nfs/dbraw/zinc/37/42/45/193374245.db2.gz UIJARIOTKYHEKA-BXKDBHETSA-N 1 0 303.859 2.121 10 0 DEAERO CCC[NH2+][C@@H](Cc1ncnn1CC)[C@H]1CSCCS1 ZINC000094498761 193374247 /nfs/dbraw/zinc/37/42/47/193374247.db2.gz UTIUPDYRCBRUSA-NWDGAFQWSA-N 1 0 300.497 2.057 10 0 DEAERO CCC[NH2+][C@H]1CCCc2sc([C@@H]3CN4CCN3CC4)nc21 ZINC000094511097 193375900 /nfs/dbraw/zinc/37/59/00/193375900.db2.gz CJNANCRKOWUXQC-STQMWFEESA-N 1 0 306.479 2.192 10 0 DEAERO CCOC(=O)COC[C@@H]([NH3+])c1cc(C)c(Br)s1 ZINC000094539545 193377856 /nfs/dbraw/zinc/37/78/56/193377856.db2.gz AIECTXIZXGAXGZ-MRVPVSSYSA-N 1 0 322.224 2.399 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(F)cc2Br)C1 ZINC000094548656 193378496 /nfs/dbraw/zinc/37/84/96/193378496.db2.gz OHGDDRFJTXCQIJ-PSASIEDQSA-N 1 0 315.186 2.398 10 0 DEAERO CCn1cc(Br)cc1C(=O)N1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000094548728 193378991 /nfs/dbraw/zinc/37/89/91/193378991.db2.gz IIURDAKNDBTAEQ-MWLCHTKSSA-N 1 0 314.227 2.080 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2F)O1 ZINC000094565289 193380835 /nfs/dbraw/zinc/38/08/35/193380835.db2.gz HCQSXFONTQQUQA-LDYMZIIASA-N 1 0 317.158 2.033 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(Br)c(F)c2)O1 ZINC000094572768 193381450 /nfs/dbraw/zinc/38/14/50/193381450.db2.gz RXHYPGAGAWKPFM-LDYMZIIASA-N 1 0 317.158 2.033 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)cc1Br ZINC000094571912 193381570 /nfs/dbraw/zinc/38/15/70/193381570.db2.gz OBDIUBJBHMLHGA-ZYHUDNBSSA-N 1 0 313.195 2.202 10 0 DEAERO C[NH+]1CCC(NC(=O)c2cccc(C(F)(F)F)c2N)CC1 ZINC000094598516 193383290 /nfs/dbraw/zinc/38/32/90/193383290.db2.gz FEEZWVHXGLIVHG-UHFFFAOYSA-N 1 0 301.312 2.112 10 0 DEAERO CC[NH+]1CCC(Nc2nc3ccc(Br)cn3n2)CC1 ZINC000094603764 193383651 /nfs/dbraw/zinc/38/36/51/193383651.db2.gz WVORIDVNBVMHQS-UHFFFAOYSA-N 1 0 324.226 2.388 10 0 DEAERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1nc2c(Br)cccn2n1 ZINC000094608846 193384582 /nfs/dbraw/zinc/38/45/82/193384582.db2.gz KFURUTCXYZVUBV-GXSJLCMTSA-N 1 0 324.226 2.421 10 0 DEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1nc2ccc(Br)cn2n1 ZINC000094608828 193384647 /nfs/dbraw/zinc/38/46/47/193384647.db2.gz SJPGLVYGMSWWOX-MWLCHTKSSA-N 1 0 324.226 2.421 10 0 DEAERO [NH3+][C@@H]1CCCC[C@H]1Nc1nc2c(Br)cccn2n1 ZINC000094607543 193384816 /nfs/dbraw/zinc/38/48/16/193384816.db2.gz WITXXTOFPKSQKM-NXEZZACHSA-N 1 0 310.199 2.174 10 0 DEAERO CCC[NH2+][C@@H](Cc1ncnn1C)c1cncc(Br)c1 ZINC000094825060 193401908 /nfs/dbraw/zinc/40/19/08/193401908.db2.gz VNDYOUSMVXCKDB-LBPRGKRZSA-N 1 0 324.226 2.256 10 0 DEAERO CCc1ccsc1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000094876818 193404261 /nfs/dbraw/zinc/40/42/61/193404261.db2.gz MVSPQYWBWGZISO-GFCCVEGCSA-N 1 0 306.353 2.469 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cc(Br)cc2F)C1 ZINC000094716204 193393862 /nfs/dbraw/zinc/39/38/62/193393862.db2.gz BSSMXGQKGMZNRP-MRVPVSSYSA-N 1 0 319.149 2.161 10 0 DEAERO CS(=O)(=O)c1ccc2[nH]c([C@@H]3CCCCC[C@@H]3[NH3+])nc2c1 ZINC000094745881 193394920 /nfs/dbraw/zinc/39/49/20/193394920.db2.gz SQDVBSMXTZZOEB-NEPJUHHUSA-N 1 0 307.419 2.341 10 0 DEAERO CC[NH2+][C@H](C)c1cc(F)c(C)cc1Sc1n[nH]c(=O)n1C ZINC000094768530 193396413 /nfs/dbraw/zinc/39/64/13/193396413.db2.gz DWKLVMMZEMQQQL-SECBINFHSA-N 1 0 310.398 2.378 10 0 DEAERO CC[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N1CCC(C)(C)C1 ZINC000094814990 193399756 /nfs/dbraw/zinc/39/97/56/193399756.db2.gz NSBQGTOJLPVEHK-UHFFFAOYSA-N 1 0 314.451 2.427 10 0 DEAERO CON1CCC(N(C)Cc2nccn2Cc2ccccc2)CC1 ZINC000453630913 245229293 /nfs/dbraw/zinc/22/92/93/245229293.db2.gz ZTTYDJCONXEVFU-UHFFFAOYSA-N 1 0 314.433 2.389 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)c1C ZINC000277963939 213884009 /nfs/dbraw/zinc/88/40/09/213884009.db2.gz SFLXYWJATIITPU-DUFXMDAXSA-N 1 0 306.406 2.420 10 0 DEAERO C[NH+](C)C[C@H]1C[C@@H](O)CN1Cc1ccccc1C(F)(F)F ZINC000097265018 193702001 /nfs/dbraw/zinc/70/20/01/193702001.db2.gz MLVWWBQJIMGULP-CHWSQXEVSA-N 1 0 302.340 2.202 10 0 DEAERO CC[NH2+][C@@H](Cc1nc(C)c(C)s1)C[C@H]1CCS(=O)(=O)C1 ZINC000097342871 193708972 /nfs/dbraw/zinc/70/89/72/193708972.db2.gz BLFUXPXBQGTFKK-CHWSQXEVSA-N 1 0 316.492 2.105 10 0 DEAERO c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@@H]1COCCN1)CCCC2 ZINC000530220129 284376902 /nfs/dbraw/zinc/37/69/02/284376902.db2.gz IZXVZSKHXNYCNQ-SJLPKXTDSA-N 1 0 316.445 2.357 10 0 DEAERO [NH3+]CCCN1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000019688197 182136297 /nfs/dbraw/zinc/13/62/97/182136297.db2.gz QDHAIMIMERVXTM-UHFFFAOYSA-N 1 0 302.249 2.460 10 0 DEAERO CC[NH2+][C@H](c1c(Br)cnn1CC)[C@H]1CCOC1 ZINC000160321969 197401188 /nfs/dbraw/zinc/40/11/88/197401188.db2.gz IVDQOEOHEWFYHP-ONGXEEELSA-N 1 0 302.216 2.353 10 0 DEAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCc2ccncc2)CC1 ZINC000153842895 291577407 /nfs/dbraw/zinc/57/74/07/291577407.db2.gz QLSBVGHAGHWUBA-OAHLLOKOSA-N 1 0 303.450 2.497 10 0 DEAERO [NH3+]CCCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000020269705 182201697 /nfs/dbraw/zinc/20/16/97/182201697.db2.gz OWXXYYSDAFBISK-UHFFFAOYSA-N 1 0 304.415 2.056 10 0 DEAERO CCn1nc(C)c(Br)c1C[NH2+]CC(C)(C)OC ZINC000160222913 197394222 /nfs/dbraw/zinc/39/42/22/197394222.db2.gz UULUVZGYZGWKMP-UHFFFAOYSA-N 1 0 304.232 2.489 10 0 DEAERO CC(C)Oc1ccccc1-c1nnc2sc(CC[NH3+])nn21 ZINC000020391789 182213510 /nfs/dbraw/zinc/21/35/10/182213510.db2.gz BDTRRBAAWPXUNJ-UHFFFAOYSA-N 1 0 303.391 2.141 10 0 DEAERO CCOc1ccc(NS(=O)(=O)c2ccccc2C[NH3+])cc1 ZINC000021017552 182260653 /nfs/dbraw/zinc/26/06/53/182260653.db2.gz PBPAAUMKMYBSQN-UHFFFAOYSA-N 1 0 306.387 2.345 10 0 DEAERO NC(=[NH2+])c1ccc(CSc2nnnn2C2CCCC2)cc1 ZINC000021516625 182277311 /nfs/dbraw/zinc/27/73/11/182277311.db2.gz CPQMSAULLVNNRF-UHFFFAOYSA-N 1 0 302.407 2.365 10 0 DEAERO Cc1ccc([C@@H](CO)N2CCC[NH2+]CC2)cc1Br ZINC000097901060 193765348 /nfs/dbraw/zinc/76/53/48/193765348.db2.gz JSCYTDYINKVTTF-CQSZACIVSA-N 1 0 313.239 2.086 10 0 DEAERO COCCN1C(=[NH2+])NC[C@@H]1c1ccc(C)c(Br)c1 ZINC000097903224 193765486 /nfs/dbraw/zinc/76/54/86/193765486.db2.gz OCTXOJKBONIACB-GFCCVEGCSA-N 1 0 312.211 2.075 10 0 DEAERO CCC1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)COC1 ZINC000456470207 247216569 /nfs/dbraw/zinc/21/65/69/247216569.db2.gz JSKXAHJAKJIBDH-UHFFFAOYSA-N 1 0 302.418 2.439 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCCCOCC2CC2)CC1 ZINC000157687683 291632952 /nfs/dbraw/zinc/63/29/52/291632952.db2.gz NUMVFLQQFQIJJH-UHFFFAOYSA-N 1 0 311.470 2.224 10 0 DEAERO CC(C)CCSc1nc(=O)n(CC[NH+](C)C)c2c1CCC2 ZINC000038786367 183010185 /nfs/dbraw/zinc/01/01/85/183010185.db2.gz RYRSQYOQAINXOT-UHFFFAOYSA-N 1 0 309.479 2.432 10 0 DEAERO COc1cc([C@H](C[NH3+])N2CCC(C)CC2)cc(OC)c1OC ZINC000039789180 183021935 /nfs/dbraw/zinc/02/19/35/183021935.db2.gz CWMXAWQKDZVRLX-AWEZNQCLSA-N 1 0 308.422 2.444 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040634268 183111990 /nfs/dbraw/zinc/11/19/90/183111990.db2.gz SPAPNYLKJMOGKM-AAEUAGOBSA-N 1 0 312.797 2.444 10 0 DEAERO COC(=O)C1(Nc2cccc(Br)c2)CC[NH2+]CC1 ZINC000040695364 183119102 /nfs/dbraw/zinc/11/91/02/183119102.db2.gz WNJXEFSETGCZBQ-UHFFFAOYSA-N 1 0 313.195 2.156 10 0 DEAERO C[NH2+]C[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000040601764 183107778 /nfs/dbraw/zinc/10/77/78/183107778.db2.gz KLGHNUABWASEPY-NSHDSACASA-N 1 0 318.389 2.119 10 0 DEAERO C[N@@H+]1CCC[C@@H](Nc2c(C(N)=S)cnc3ccccc32)C1 ZINC000040716157 183122696 /nfs/dbraw/zinc/12/26/96/183122696.db2.gz NLMMXGBOSUINNB-LLVKDONJSA-N 1 0 300.431 2.375 10 0 DEAERO CCOc1cc(C[NH2+]CCCO)cc(Br)c1OC ZINC000040721055 183123888 /nfs/dbraw/zinc/12/38/88/183123888.db2.gz PXLGHAMPKMJBEX-UHFFFAOYSA-N 1 0 318.211 2.328 10 0 DEAERO CN(C)Nc1[nH+]cnc(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040755644 183129433 /nfs/dbraw/zinc/12/94/33/183129433.db2.gz SEVUDJFROBSKMF-UHFFFAOYSA-N 1 0 302.426 2.328 10 0 DEAERO O=C(NCc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000041069510 183162076 /nfs/dbraw/zinc/16/20/76/183162076.db2.gz TVDDTRAHRAHQLB-SECBINFHSA-N 1 0 315.186 2.204 10 0 DEAERO CC[NH+]1CCN(CCNc2cccc(Br)c2)CC1 ZINC000041563174 183202794 /nfs/dbraw/zinc/20/27/94/183202794.db2.gz NZEZDMMDXWPVMZ-UHFFFAOYSA-N 1 0 312.255 2.499 10 0 DEAERO Cc1cccc(-n2nc(C(=O)NCC[NH+](C)C)cc2C2CC2)c1 ZINC000041453358 183191926 /nfs/dbraw/zinc/19/19/26/183191926.db2.gz OXUOUSQWDCKGHT-UHFFFAOYSA-N 1 0 312.417 2.350 10 0 DEAERO COc1ccc2[nH+]c(C)cc(N(C)[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000041478863 183194015 /nfs/dbraw/zinc/19/40/15/183194015.db2.gz SGKUUKMGBQBWDE-GFCCVEGCSA-N 1 0 320.414 2.175 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCc1ccc2c(c1)OCO2 ZINC000041915823 183225114 /nfs/dbraw/zinc/22/51/14/183225114.db2.gz AVPMUSYUMCXQAD-ZDUSSCGKSA-N 1 0 306.406 2.194 10 0 DEAERO CC1CC(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000681765588 542203794 /nfs/dbraw/zinc/20/37/94/542203794.db2.gz WPPYXMPHKWPDNP-GXOAENINSA-N 1 0 316.445 2.128 10 0 DEAERO O[C@H](C[NH2+]CCc1ccc(Cl)cc1)COC[C@@H]1CCCO1 ZINC000042258301 183247728 /nfs/dbraw/zinc/24/77/28/183247728.db2.gz SXUDDNDAMNTEQN-CVEARBPZSA-N 1 0 313.825 2.029 10 0 DEAERO O=C(c1cc2cccc(Br)c2o1)N1CC[NH2+]CC1 ZINC000042411280 183265611 /nfs/dbraw/zinc/26/56/11/183265611.db2.gz QORBWPHMGDVAOJ-UHFFFAOYSA-N 1 0 309.163 2.241 10 0 DEAERO COCCCN(CCOC)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000042420754 183267783 /nfs/dbraw/zinc/26/77/83/183267783.db2.gz CKTICTONCAZAQU-LLVKDONJSA-N 1 0 306.859 2.386 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](CN(C)Cc2cccc(Br)c2)C1 ZINC000042440752 183270515 /nfs/dbraw/zinc/27/05/15/183270515.db2.gz XJIOQCIGRWWNLU-KGLIPLIRSA-N 1 0 313.239 2.258 10 0 DEAERO CCN(C[C@H](C)C[NH3+])c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000042442279 183270962 /nfs/dbraw/zinc/27/09/62/183270962.db2.gz OSJRZLOVQSYMCW-SNVBAGLBSA-N 1 0 324.368 2.401 10 0 DEAERO CC(C)[N@H+](CCCO)CCC(=O)Nc1cc(Cl)ccc1N ZINC000042482944 183275570 /nfs/dbraw/zinc/27/55/70/183275570.db2.gz PNQMJAHRECNXCA-UHFFFAOYSA-N 1 0 313.829 2.344 10 0 DEAERO COc1ccccc1NC(=O)C[N@H+](CCC(N)=S)C(C)C ZINC000042529369 183281149 /nfs/dbraw/zinc/28/11/49/183281149.db2.gz KNGLQEFRPSHLEN-UHFFFAOYSA-N 1 0 309.435 2.020 10 0 DEAERO CCC[NH2+]C1(c2nc(CC)c(C)s2)CCS(=O)(=O)CC1 ZINC000042333250 183255402 /nfs/dbraw/zinc/25/54/02/183255402.db2.gz QAABUXVLGOXXND-UHFFFAOYSA-N 1 0 316.492 2.417 10 0 DEAERO CN(Cc1csc(Br)c1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042361004 183258436 /nfs/dbraw/zinc/25/84/36/183258436.db2.gz HCGRSBDSUHWBMS-MNOVXSKESA-N 1 0 319.268 2.306 10 0 DEAERO C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042611520 183291140 /nfs/dbraw/zinc/29/11/40/183291140.db2.gz NFOAMFZZBPYWEH-WCQYABFASA-N 1 0 316.492 2.449 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042611514 183291375 /nfs/dbraw/zinc/29/13/75/183291375.db2.gz NFOAMFZZBPYWEH-YPMHNXCESA-N 1 0 316.492 2.449 10 0 DEAERO C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042611518 183291542 /nfs/dbraw/zinc/29/15/42/183291542.db2.gz NFOAMFZZBPYWEH-DGCLKSJQSA-N 1 0 316.492 2.449 10 0 DEAERO CCN(CCC(=O)Nc1ccccc1C[NH3+])CC(F)(F)F ZINC000042739567 183303390 /nfs/dbraw/zinc/30/33/90/183303390.db2.gz CQFQBEHWTJESMJ-UHFFFAOYSA-N 1 0 303.328 2.358 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCS(=O)CC1 ZINC000042946280 183319581 /nfs/dbraw/zinc/31/95/81/183319581.db2.gz CMQUNTJDBMDQFW-KBPBESRZSA-N 1 0 300.855 2.183 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC[C@@H]1C(=O)NC ZINC000043015794 183327833 /nfs/dbraw/zinc/32/78/33/183327833.db2.gz PHPNBFVCNLXAIM-ZNMIVQPWSA-N 1 0 309.841 2.329 10 0 DEAERO CCN(CCO)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021018 183329408 /nfs/dbraw/zinc/32/94/08/183329408.db2.gz BUJXFOHGFYUNAE-ZWNOBZJWSA-N 1 0 301.228 2.152 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N(CCOC)CCOC ZINC000043240879 183345610 /nfs/dbraw/zinc/34/56/10/183345610.db2.gz GFXBZLYMIVUFCV-UKRRQHHQSA-N 1 0 300.468 2.430 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCCC[C@@H]1C(=O)NC ZINC000043242687 183346581 /nfs/dbraw/zinc/34/65/81/183346581.db2.gz GJTYHUXKLARJDE-NFAWXSAZSA-N 1 0 309.479 2.435 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCC(C(N)=O)CC1 ZINC000043252029 183347055 /nfs/dbraw/zinc/34/70/55/183347055.db2.gz BDVOAWLGFYZXEA-GWCFXTLKSA-N 1 0 315.870 2.377 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(Cl)s1 ZINC000043258325 183348029 /nfs/dbraw/zinc/34/80/29/183348029.db2.gz NCNBILYEXAOGMP-FWOIEVBISA-N 1 0 316.839 2.248 10 0 DEAERO [NH3+][C@H](c1ccc(F)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043299828 183351489 /nfs/dbraw/zinc/35/14/89/183351489.db2.gz SAZBQZCEEBDZJO-GZMMTYOYSA-N 1 0 322.199 2.023 10 0 DEAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301257 183352411 /nfs/dbraw/zinc/35/24/11/183352411.db2.gz YJUSQFCHDBYYAJ-FZMZJTMJSA-N 1 0 303.374 2.440 10 0 DEAERO CCOC(=O)[C@H](c1ccc(Cl)c(F)c1)N1CCC[NH2+]CC1 ZINC000043391091 183358716 /nfs/dbraw/zinc/35/87/16/183358716.db2.gz VWDWINQEVVHNMG-AWEZNQCLSA-N 1 0 314.788 2.379 10 0 DEAERO C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)N1CC[NH2+]CC1 ZINC000043402913 183359041 /nfs/dbraw/zinc/35/90/41/183359041.db2.gz ZSIAQHQMWXLEAF-SECBINFHSA-N 1 0 319.352 2.013 10 0 DEAERO CC[C@@H]([NH3+])Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000043492500 183367257 /nfs/dbraw/zinc/36/72/57/183367257.db2.gz UPWQJIYACBMVLP-VXGBXAGGSA-N 1 0 317.838 2.186 10 0 DEAERO NC(=S)c1cc2c(nc1OCC[NH+]1CCCC1)CCCC2 ZINC000043411021 183360270 /nfs/dbraw/zinc/36/02/70/183360270.db2.gz FOQMRLFVPZIJJJ-UHFFFAOYSA-N 1 0 305.447 2.069 10 0 DEAERO CC(C)CN(CCC[NH3+])c1ccccc1S(=O)(=O)C(F)F ZINC000043417222 183361259 /nfs/dbraw/zinc/36/12/59/183361259.db2.gz GBYXBCJTCQXXGG-UHFFFAOYSA-N 1 0 320.405 2.494 10 0 DEAERO COc1ccc([C@@H]2CN(C(C)C)C(=O)C23CC[NH2+]CC3)cc1 ZINC000044137467 183396256 /nfs/dbraw/zinc/39/62/56/183396256.db2.gz ZMPOQFHPOOJGNP-INIZCTEOSA-N 1 0 302.418 2.399 10 0 DEAERO CC(C)c1ccc([C@@H](O)C[NH2+][C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000044930260 183459797 /nfs/dbraw/zinc/45/97/97/183459797.db2.gz XXEOIHHMELBDHZ-HOTGVXAUSA-N 1 0 311.447 2.010 10 0 DEAERO Cc1cccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1O ZINC000274056380 211312790 /nfs/dbraw/zinc/31/27/90/211312790.db2.gz REPGAUFWRFIZDZ-YPMHNXCESA-N 1 0 301.346 2.286 10 0 DEAERO c1[nH]nc2cccc(-c3nc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)c12 ZINC000273924022 211179690 /nfs/dbraw/zinc/17/96/90/211179690.db2.gz IGBFJYZOWXGOHV-QMTHXVAHSA-N 1 0 311.345 2.149 10 0 DEAERO c1[nH]nc2cccc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)c12 ZINC000273924024 211179082 /nfs/dbraw/zinc/17/90/82/211179082.db2.gz IGBFJYZOWXGOHV-YGRLFVJLSA-N 1 0 311.345 2.149 10 0 DEAERO C[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)C[C@H]1C(N)=O ZINC000284904904 218228586 /nfs/dbraw/zinc/22/85/86/218228586.db2.gz SDBCVOJDXYMALZ-QMTHXVAHSA-N 1 0 303.793 2.441 10 0 DEAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2ccccc2)C[C@H]1CC ZINC000105838017 194143961 /nfs/dbraw/zinc/14/39/61/194143961.db2.gz SBFHFYLWMGJQGZ-MSOLQXFVSA-N 1 0 306.450 2.153 10 0 DEAERO CCc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000105852814 194146856 /nfs/dbraw/zinc/14/68/56/194146856.db2.gz GVAUMRZHBWMOMV-HOTGVXAUSA-N 1 0 318.465 2.483 10 0 DEAERO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105884566 194156614 /nfs/dbraw/zinc/15/66/14/194156614.db2.gz NDGPRMZWICKVRE-MRXNPFEDSA-N 1 0 313.405 2.149 10 0 DEAERO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000106366115 194202523 /nfs/dbraw/zinc/20/25/23/194202523.db2.gz RDDDQMOTABTDCT-SNVBAGLBSA-N 1 0 320.817 2.147 10 0 DEAERO Cc1noc(C)c1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106433967 194212686 /nfs/dbraw/zinc/21/26/86/194212686.db2.gz YMEIAFSRQQYGKW-MRXNPFEDSA-N 1 0 301.390 2.081 10 0 DEAERO [NH3+][C@@H](c1cc2c(cc1Br)OCCO2)[C@@H]1CCOC1 ZINC000048623068 183671721 /nfs/dbraw/zinc/67/17/21/183671721.db2.gz GAQBFRVIMAAWBX-AMIZOPFISA-N 1 0 314.179 2.257 10 0 DEAERO Cc1ccc([C@H](C)NS(=O)(=O)CCC2CC[NH2+]CC2)cc1 ZINC000049560300 183741757 /nfs/dbraw/zinc/74/17/57/183741757.db2.gz LCKQKCILKHVQDM-AWEZNQCLSA-N 1 0 310.463 2.365 10 0 DEAERO O=C(C[C@@H]1CCc2ccccc2C1)NCCNc1cc[nH+]cc1 ZINC000533812434 284807475 /nfs/dbraw/zinc/80/74/75/284807475.db2.gz GZCXZSWINIAOQV-OAHLLOKOSA-N 1 0 309.413 2.227 10 0 DEAERO O=C(C[C@H]1CCc2ccccc2C1)NCCNc1cc[nH+]cc1 ZINC000533812430 284807862 /nfs/dbraw/zinc/80/78/62/284807862.db2.gz GZCXZSWINIAOQV-HNNXBMFYSA-N 1 0 309.413 2.227 10 0 DEAERO C[C@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)Cc1cccc(Br)c1 ZINC000050041858 183768995 /nfs/dbraw/zinc/76/89/95/183768995.db2.gz JBWJTBSDODEPON-JKOKRWQUSA-N 1 0 323.234 2.200 10 0 DEAERO O=C1[C@@H]([NH+]2CCC(c3cc[nH]n3)CC2)CCN1c1ccccc1 ZINC000109327002 194258204 /nfs/dbraw/zinc/25/82/04/194258204.db2.gz HPAFSLHJOXLOBB-KRWDZBQOSA-N 1 0 310.401 2.395 10 0 DEAERO CN(CCC[NH+](C)C)Cc1ccc(Br)c(N)c1 ZINC000159356938 197347374 /nfs/dbraw/zinc/34/73/74/197347374.db2.gz KWWMJJNRQRKTFV-UHFFFAOYSA-N 1 0 300.244 2.415 10 0 DEAERO CC(C)(C[NH3+])N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000109457298 194264747 /nfs/dbraw/zinc/26/47/47/194264747.db2.gz ISBOBFWCLFEMIC-UHFFFAOYSA-N 1 0 303.237 2.248 10 0 DEAERO CC[C@@H](C(N)=S)[NH+]1CCN(C(=O)C2CCCCCC2)CC1 ZINC000109462055 194265752 /nfs/dbraw/zinc/26/57/52/194265752.db2.gz XUTLNEIUEVQXTK-AWEZNQCLSA-N 1 0 311.495 2.166 10 0 DEAERO CC[C@H](C(N)=S)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000109471534 194266703 /nfs/dbraw/zinc/26/67/03/194266703.db2.gz CFSYPGFKTFCWTO-GFCCVEGCSA-N 1 0 304.419 2.015 10 0 DEAERO CC[C@@H](C(N)=S)[NH+]1CCN(Cc2cc(C)ccc2C)CC1 ZINC000109468942 194266993 /nfs/dbraw/zinc/26/69/93/194266993.db2.gz KFEYCGFEHGQIEE-INIZCTEOSA-N 1 0 305.491 2.486 10 0 DEAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2cc(C)cc(C)c2)CC1 ZINC000109469495 194267346 /nfs/dbraw/zinc/26/73/46/194267346.db2.gz VVLWDXCLKUHJDC-MRXNPFEDSA-N 1 0 305.491 2.486 10 0 DEAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2cccc(F)c2F)CC1 ZINC000109469385 194267356 /nfs/dbraw/zinc/26/73/56/194267356.db2.gz FKMXAXWSWYXBNR-CYBMUJFWSA-N 1 0 313.417 2.147 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000051359322 183824953 /nfs/dbraw/zinc/82/49/53/183824953.db2.gz KWOAGQRARODICN-STQMWFEESA-N 1 0 314.476 2.270 10 0 DEAERO CCOC(C)(C)C[NH2+]C[C@@H](O)COc1cccc(Cl)c1 ZINC000159344480 197346888 /nfs/dbraw/zinc/34/68/88/197346888.db2.gz QVFRGWBJYXODEA-CYBMUJFWSA-N 1 0 301.814 2.484 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1OC[C@H]1CCCC[NH2+]1 ZINC000051883286 183840342 /nfs/dbraw/zinc/84/03/42/183840342.db2.gz YRTJONBSTUAOIY-SNVBAGLBSA-N 1 0 302.296 2.325 10 0 DEAERO Cc1cccc(-c2ccc(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2)c1 ZINC000159350367 197346509 /nfs/dbraw/zinc/34/65/09/197346509.db2.gz LLKSJKKEOYAWHZ-MSOLQXFVSA-N 1 0 310.397 2.001 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(COC)c1 ZINC000110088543 194308681 /nfs/dbraw/zinc/30/86/81/194308681.db2.gz GXAKZNQJFLVYLU-INIZCTEOSA-N 1 0 321.421 2.065 10 0 DEAERO C[C@H](C[NH2+]C1CCCCC1)N1CCN(CC(F)(F)F)CC1 ZINC000053489187 183903869 /nfs/dbraw/zinc/90/38/69/183903869.db2.gz MOQHDURJPXNFAT-CYBMUJFWSA-N 1 0 307.404 2.477 10 0 DEAERO O=c1c2cc(Br)ccc2ncn1CC[NH2+]CC1CC1 ZINC000053530056 183905770 /nfs/dbraw/zinc/90/57/70/183905770.db2.gz XNGOIAOVUNIPQP-UHFFFAOYSA-N 1 0 322.206 2.159 10 0 DEAERO COc1cc(C[NH3+])cc(Cl)c1OCCC(=O)NC(C)C ZINC000054047704 183921611 /nfs/dbraw/zinc/92/16/11/183921611.db2.gz WDLQJXIBRJTZCX-UHFFFAOYSA-N 1 0 300.786 2.101 10 0 DEAERO CCC[NH2+]CCNc1ccccc1S(=O)(=O)C(F)(F)F ZINC000054267472 183932613 /nfs/dbraw/zinc/93/26/13/183932613.db2.gz LCFCMVILVCWPGE-UHFFFAOYSA-N 1 0 310.341 2.392 10 0 DEAERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000110928323 194370462 /nfs/dbraw/zinc/37/04/62/194370462.db2.gz OBRRDEGHHHZANI-HNNXBMFYSA-N 1 0 304.415 2.212 10 0 DEAERO CCN(CC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000110942750 194372396 /nfs/dbraw/zinc/37/23/96/194372396.db2.gz UBXHINDAZLZOGJ-GFCCVEGCSA-N 1 0 313.804 2.492 10 0 DEAERO CCN(c1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110946791 194373166 /nfs/dbraw/zinc/37/31/66/194373166.db2.gz JDNKMBALEULZFI-GFCCVEGCSA-N 1 0 318.389 2.261 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(F)c2Br)C1 ZINC000156583891 197125792 /nfs/dbraw/zinc/12/57/92/197125792.db2.gz ALZFUACUXVNZIH-SECBINFHSA-N 1 0 315.186 2.364 10 0 DEAERO O[C@H]1C[NH2+]C[C@@H]1Oc1ccc2cc(Br)ccc2c1 ZINC000111060058 194387454 /nfs/dbraw/zinc/38/74/54/194387454.db2.gz OLKDOEOBFPQGME-KBPBESRZSA-N 1 0 308.175 2.314 10 0 DEAERO C[NH2+][C@@H](Cc1csc(C)n1)c1c(Br)cnn1C ZINC000159319384 197345142 /nfs/dbraw/zinc/34/51/42/197345142.db2.gz ZVMNBOLNDOHKBK-JTQLQIEISA-N 1 0 315.240 2.451 10 0 DEAERO CC[NH2+]C[C@@H](O)c1cc(OC)c(OC)cc1Br ZINC000055027573 183958241 /nfs/dbraw/zinc/95/82/41/183958241.db2.gz QBCNQZIGRWYHLR-SNVBAGLBSA-N 1 0 304.184 2.109 10 0 DEAERO CNc1nc(CN(C)CC[NH+](C)C)nc2sc(C)c(C)c21 ZINC000111146161 194395151 /nfs/dbraw/zinc/39/51/51/194395151.db2.gz RQPSKWCJFCUKFU-UHFFFAOYSA-N 1 0 307.467 2.343 10 0 DEAERO COc1ccc(OCC[N@H+](C)C[C@@H](O)COC(C)(C)C)cc1 ZINC000057158956 184028950 /nfs/dbraw/zinc/02/89/50/184028950.db2.gz IVGOMAXOMLJJCI-CQSZACIVSA-N 1 0 311.422 2.182 10 0 DEAERO O=C1NCCC[C@@H]1[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000296653839 284881695 /nfs/dbraw/zinc/88/16/95/284881695.db2.gz ZCPBWJBWFFIJDN-BDAKNGLRSA-N 1 0 315.236 2.366 10 0 DEAERO O=C(c1cc(-c2ccco2)n[nH]1)N1CCC([NH+]2CCCC2)CC1 ZINC000058908140 184131183 /nfs/dbraw/zinc/13/11/83/184131183.db2.gz CZKODZNOBMLGKM-UHFFFAOYSA-N 1 0 314.389 2.370 10 0 DEAERO CCCOc1nc(Cl)nc(N(CC[NH+](C)C)CC(C)C)n1 ZINC000061540452 184173376 /nfs/dbraw/zinc/17/33/76/184173376.db2.gz OBZFYIPGEVPBGX-UHFFFAOYSA-N 1 0 315.849 2.338 10 0 DEAERO CCN(CC)c1nc(Cl)nc(NCC[N@H+](C)C(C)C)n1 ZINC000061542654 184174248 /nfs/dbraw/zinc/17/42/48/184174248.db2.gz CDUSSFOQVLMAJN-UHFFFAOYSA-N 1 0 300.838 2.123 10 0 DEAERO [NH3+]C[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccc(Cl)cc1 ZINC000061594590 184176153 /nfs/dbraw/zinc/17/61/53/184176153.db2.gz FBLOXUXMBBGEHS-LLVKDONJSA-N 1 0 310.810 2.352 10 0 DEAERO CCCn1c(S[C@@H](c2cccc(F)c2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594981 184176712 /nfs/dbraw/zinc/17/67/12/184176712.db2.gz NCEMIYCATSTXQT-BXKDBHETSA-N 1 0 310.398 2.301 10 0 DEAERO CC(C)[NH2+]CCS(=O)(=O)NCc1ccccc1C(F)(F)F ZINC000061627349 184178902 /nfs/dbraw/zinc/17/89/02/184178902.db2.gz RGLOLTAGFNLTEX-UHFFFAOYSA-N 1 0 324.368 2.123 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1c1cc(Br)ccc1CO ZINC000061645473 184180836 /nfs/dbraw/zinc/18/08/36/184180836.db2.gz YENQPUJBCLWMGQ-CYBMUJFWSA-N 1 0 313.239 2.472 10 0 DEAERO CC[C@@H]([NH3+])Cc1cc(Cl)c(O[C@@H](CC)C(N)=O)c(OC)c1 ZINC000061678332 184181617 /nfs/dbraw/zinc/18/16/17/184181617.db2.gz VREDBRXRNBLUCB-PWSUYJOCSA-N 1 0 314.813 2.271 10 0 DEAERO CC[NH2+]Cc1cccc(Br)c1O[C@H](CC)C(N)=O ZINC000061675987 184181759 /nfs/dbraw/zinc/18/17/59/184181759.db2.gz JKUDBJSJBODUTP-LLVKDONJSA-N 1 0 315.211 2.201 10 0 DEAERO C[NH+](C)C[C@H](O)CNc1cc(Br)ccc1Cl ZINC000061691228 184182979 /nfs/dbraw/zinc/18/29/79/184182979.db2.gz BAUALOSCFDYIEE-SECBINFHSA-N 1 0 307.619 2.437 10 0 DEAERO COc1ccc([C@H]([NH3+])C[C@@H](C)CC(N)=O)cc1Br ZINC000061830198 184189009 /nfs/dbraw/zinc/18/90/09/184189009.db2.gz FWXCOTCYYNWETF-LDYMZIIASA-N 1 0 315.211 2.359 10 0 DEAERO [NH3+]Cc1ccccc1CNC(=O)c1cc(Br)c[nH]1 ZINC000061840966 184189408 /nfs/dbraw/zinc/18/94/08/184189408.db2.gz SYDAEURALGKLHA-UHFFFAOYSA-N 1 0 308.179 2.166 10 0 DEAERO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2N)CCCO1 ZINC000061912926 184195044 /nfs/dbraw/zinc/19/50/44/184195044.db2.gz OLKCLOLSTLOAFK-LLVKDONJSA-N 1 0 311.813 2.362 10 0 DEAERO C[C@@H](c1ccccc1F)N(C)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000062027833 184202246 /nfs/dbraw/zinc/20/22/46/184202246.db2.gz COBTZWTWZCYUQU-QWHCGFSZSA-N 1 0 314.426 2.148 10 0 DEAERO CCCN[C@](C)(CCC[N@H+](C)CCCOC)C(=O)OCC ZINC000062034756 184202872 /nfs/dbraw/zinc/20/28/72/184202872.db2.gz KJSFMNPJDHNHDR-MRXNPFEDSA-N 1 0 302.459 2.056 10 0 DEAERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)N(C)CCCOC)c1 ZINC000062037796 184202956 /nfs/dbraw/zinc/20/29/56/184202956.db2.gz QSJVKFOTSWHSDY-HNNXBMFYSA-N 1 0 314.451 2.014 10 0 DEAERO COCCC[NH+]1[C@@H](C)CN(C(=O)c2ccccc2OC)C[C@@H]1C ZINC000062180886 184213489 /nfs/dbraw/zinc/21/34/89/184213489.db2.gz ZCLWSAZLCVBAST-GJZGRUSLSA-N 1 0 320.433 2.267 10 0 DEAERO COCCC[N@H+]1[C@H](C)CN(C(=O)c2cccc(OC)c2)C[C@@H]1C ZINC000062180894 184213639 /nfs/dbraw/zinc/21/36/39/184213639.db2.gz GDRZJVMLQHDMDT-GASCZTMLSA-N 1 0 320.433 2.267 10 0 DEAERO CCCN[C@H](CC[N@H+](CCOC)[C@@H](C)CC)C(=O)OCC ZINC000062522821 184241571 /nfs/dbraw/zinc/24/15/71/184241571.db2.gz DJAFNBPOXUHRNU-LSDHHAIUSA-N 1 0 302.459 2.055 10 0 DEAERO CN(c1ccccc1C[NH2+]C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000062736355 184251319 /nfs/dbraw/zinc/25/13/19/184251319.db2.gz GRAGVFMLUVPTAQ-CQSZACIVSA-N 1 0 310.463 2.198 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)C1(C)CC[NH2+]CC1 ZINC000062840763 184255482 /nfs/dbraw/zinc/25/54/82/184255482.db2.gz JHNHSDHHJHSIIQ-UHFFFAOYSA-N 1 0 315.211 2.390 10 0 DEAERO CC1(C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)CC[NH2+]CC1 ZINC000062840130 184255509 /nfs/dbraw/zinc/25/55/09/184255509.db2.gz ZDMWEYXWARNWLW-UHFFFAOYSA-N 1 0 307.781 2.163 10 0 DEAERO C[C@@]1(C(=O)Nc2cccc(Cl)c2-n2ccnc2)CC[NH2+]C1 ZINC000062891773 184258559 /nfs/dbraw/zinc/25/85/59/184258559.db2.gz YPLCGLHODRDQHT-OAHLLOKOSA-N 1 0 304.781 2.464 10 0 DEAERO C[C@@]1(C(=O)NCc2cc(Br)ccc2F)CC[NH2+]C1 ZINC000062901021 184258844 /nfs/dbraw/zinc/25/88/44/184258844.db2.gz IVQQHJGRMTXYSV-CYBMUJFWSA-N 1 0 315.186 2.204 10 0 DEAERO C[C@]1(C(=O)NCc2cc(Br)ccc2F)CC[NH2+]C1 ZINC000062901019 184259026 /nfs/dbraw/zinc/25/90/26/184259026.db2.gz IVQQHJGRMTXYSV-ZDUSSCGKSA-N 1 0 315.186 2.204 10 0 DEAERO Cc1ccc2[nH]c(SCC[C@H]([NH2+]C(C)C)C(N)=O)nc2c1 ZINC000062604496 184245268 /nfs/dbraw/zinc/24/52/68/184245268.db2.gz UZXVQZTUEGNWLA-LBPRGKRZSA-N 1 0 306.435 2.205 10 0 DEAERO CCNC(=O)[C@@H](C)Oc1ccc(C[NH2+]C)cc1Br ZINC000062700925 184247533 /nfs/dbraw/zinc/24/75/33/184247533.db2.gz BFTWULLXVXBSCD-SECBINFHSA-N 1 0 315.211 2.072 10 0 DEAERO Oc1ccc(C[NH2+][C@H]2CN3CCC2CC3)cc1Br ZINC000062701115 184247863 /nfs/dbraw/zinc/24/78/63/184247863.db2.gz AXFLUFTZPRJCOD-ZDUSSCGKSA-N 1 0 311.223 2.339 10 0 DEAERO CCC[NH2+]Cc1ccc(OCCC(N)=O)c(Br)c1 ZINC000062701357 184248072 /nfs/dbraw/zinc/24/80/72/184248072.db2.gz OMVIUHFCRPUWME-UHFFFAOYSA-N 1 0 315.211 2.203 10 0 DEAERO CN(C)S(=O)(=O)c1ccccc1N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063214821 184278703 /nfs/dbraw/zinc/27/87/03/184278703.db2.gz YBXBFFZVIPAJNQ-QWHCGFSZSA-N 1 0 311.451 2.009 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000063213502 184278974 /nfs/dbraw/zinc/27/89/74/184278974.db2.gz PQIVCSRJWHGKGI-OLZOCXBDSA-N 1 0 302.827 2.278 10 0 DEAERO [NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000063213499 184278987 /nfs/dbraw/zinc/27/89/87/184278987.db2.gz PQIVCSRJWHGKGI-STQMWFEESA-N 1 0 302.827 2.278 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000063213904 184279051 /nfs/dbraw/zinc/27/90/51/184279051.db2.gz MPWRYTIUHHGSFF-BDAKNGLRSA-N 1 0 308.856 2.340 10 0 DEAERO CCC[NH2+][C@H]1CCc2c1cccc2OCCCS(C)(=O)=O ZINC000063014511 184266372 /nfs/dbraw/zinc/26/63/72/184266372.db2.gz IHNJNTVGUJZTJF-HNNXBMFYSA-N 1 0 311.447 2.487 10 0 DEAERO CC[NH2+][C@H]1CCCc2cc(OCCCS(C)(=O)=O)ccc21 ZINC000063014446 184266652 /nfs/dbraw/zinc/26/66/52/184266652.db2.gz FTSOBYMGYBJCBR-INIZCTEOSA-N 1 0 311.447 2.487 10 0 DEAERO C[C@H](CC(N)=[NH2+])N(C)CCOc1cccc(Br)c1 ZINC000063092282 184270025 /nfs/dbraw/zinc/27/00/25/184270025.db2.gz PTYJZTITADTDIE-SNVBAGLBSA-N 1 0 314.227 2.474 10 0 DEAERO CC(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000063138741 184273288 /nfs/dbraw/zinc/27/32/88/184273288.db2.gz WRRWHYMDHWEGHB-GFCCVEGCSA-N 1 0 302.465 2.147 10 0 DEAERO CC[NH2+][C@H](C)c1ccccc1NS(=O)(=O)C[C@H]1CCCO1 ZINC000063155746 184274719 /nfs/dbraw/zinc/27/47/19/184274719.db2.gz COQQGIATUQZSGD-CHWSQXEVSA-N 1 0 312.435 2.278 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000063176016 184276619 /nfs/dbraw/zinc/27/66/19/184276619.db2.gz OVHOBPUVVMNWEX-ZJUUUORDSA-N 1 0 309.218 2.152 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000063175755 184276700 /nfs/dbraw/zinc/27/67/00/184276700.db2.gz LHSXHCCWXORJNX-VSONXHSHSA-N 1 0 300.811 2.110 10 0 DEAERO CCOC(=O)CC[NH2+]Cc1cc(OC)c(OC)cc1Cl ZINC000066148370 184392808 /nfs/dbraw/zinc/39/28/08/184392808.db2.gz KMMUTPPMBCJFTA-UHFFFAOYSA-N 1 0 301.770 2.400 10 0 DEAERO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1C[C@H](O)COC(C)C ZINC000184015522 207363731 /nfs/dbraw/zinc/36/37/31/207363731.db2.gz XVBPLXSFVSFFMF-WMZOPIPTSA-N 1 0 306.450 2.373 10 0 DEAERO C[C@@H](c1nc(-c2cccnc2)no1)N1CCC([NH+](C)C)CC1 ZINC000113500086 194595944 /nfs/dbraw/zinc/59/59/44/194595944.db2.gz DEIYHXKQZQBGNI-LBPRGKRZSA-N 1 0 301.394 2.219 10 0 DEAERO COc1cc(I)cc(OC)c1C[C@@H](C)[NH3+] ZINC000299754716 532951555 /nfs/dbraw/zinc/95/15/55/532951555.db2.gz JKWXVAUZJUBUFC-SSDOTTSWSA-N 1 0 321.158 2.198 10 0 DEAERO COC[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000537675509 285010753 /nfs/dbraw/zinc/01/07/53/285010753.db2.gz NIVAZAUEZWRFFY-RDJZCZTQSA-N 1 0 319.449 2.404 10 0 DEAERO CCC[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccccn1 ZINC000537938889 285021969 /nfs/dbraw/zinc/02/19/69/285021969.db2.gz VGCIUCYIMWAACZ-ZDUSSCGKSA-N 1 0 313.467 2.230 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000086396079 285032994 /nfs/dbraw/zinc/03/29/94/285032994.db2.gz RDMYTKXFIQAPBY-HOCLYGCPSA-N 1 0 311.470 2.316 10 0 DEAERO CN1CCC[C@H](N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000538712661 285052108 /nfs/dbraw/zinc/05/21/08/285052108.db2.gz KQAYYIBTWLQRNY-IRXDYDNUSA-N 1 0 307.482 2.195 10 0 DEAERO C[C@H](CC(=O)c1ccccc1F)C(=O)N(C)CCC[NH+](C)C ZINC000539417533 285076700 /nfs/dbraw/zinc/07/67/00/285076700.db2.gz XNVZQPWPFJEXBW-CYBMUJFWSA-N 1 0 308.397 2.445 10 0 DEAERO CCOc1ccc(NC(=O)[C@H]([NH3+])CCCOC)cc1Cl ZINC000159266173 197340686 /nfs/dbraw/zinc/34/06/86/197340686.db2.gz GCBXDQKYTCWMSS-GFCCVEGCSA-N 1 0 300.786 2.431 10 0 DEAERO C[NH2+][C@@H](C[S@@](=O)c1ccc2c(c1)OCCO2)C1CCCC1 ZINC000159160934 197332343 /nfs/dbraw/zinc/33/23/43/197332343.db2.gz DHRWZBQINKIVQV-QKKBWIMNSA-N 1 0 309.431 2.344 10 0 DEAERO Cn1cnnc1CC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159250802 197339687 /nfs/dbraw/zinc/33/96/87/197339687.db2.gz HSIBVJKKQNYETG-UHFFFAOYSA-N 1 0 302.275 2.305 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C)cc(C[NH3+])c1F ZINC000159105399 197327613 /nfs/dbraw/zinc/32/76/13/197327613.db2.gz HTEHKVOVRNQHNF-JQWIXIFHSA-N 1 0 314.426 2.402 10 0 DEAERO CCC1CCN(S(=O)(=O)c2cc(C)c(F)c(C[NH3+])c2)CC1 ZINC000159094610 197326488 /nfs/dbraw/zinc/32/64/88/197326488.db2.gz NXQDXEMDSWUCQF-UHFFFAOYSA-N 1 0 314.426 2.404 10 0 DEAERO CC[NH2+][C@H](C[S@@](=O)c1cc(F)ccc1F)[C@@H]1CCOC1 ZINC000159075234 197324209 /nfs/dbraw/zinc/32/42/09/197324209.db2.gz UTRFHZXTFQSYSS-MZJFNTNISA-N 1 0 303.374 2.087 10 0 DEAERO C[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)cc1)C(N)=[NH2+] ZINC000159035853 197321049 /nfs/dbraw/zinc/32/10/49/197321049.db2.gz DKAGJEZLBKPYNP-ZETCQYMHSA-N 1 0 304.272 2.279 10 0 DEAERO CCS(=O)(=O)CCCOc1c(Cl)cccc1C[NH2+]C ZINC000159017599 197319892 /nfs/dbraw/zinc/31/98/92/197319892.db2.gz HRSLAODULAQYMT-UHFFFAOYSA-N 1 0 305.827 2.263 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Nc1cc(Br)ccc1O ZINC000158977191 197316144 /nfs/dbraw/zinc/31/61/44/197316144.db2.gz JWKXRRTWSRWDNQ-MRVPVSSYSA-N 1 0 301.184 2.468 10 0 DEAERO COCCOCCCC[NH2+]Cc1sccc1NC(C)=O ZINC000158978925 197315962 /nfs/dbraw/zinc/31/59/62/197315962.db2.gz XVMOOOXGQGJWLR-UHFFFAOYSA-N 1 0 300.424 2.239 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c(C)o1 ZINC000158774160 197299969 /nfs/dbraw/zinc/29/99/69/197299969.db2.gz PEITUMHDYLLNQO-BETUJISGSA-N 1 0 312.435 2.118 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000158450427 197273180 /nfs/dbraw/zinc/27/31/80/197273180.db2.gz OYBOGNQBHDKNRW-QWHCGFSZSA-N 1 0 300.399 2.025 10 0 DEAERO Cc1cccc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158494242 197278735 /nfs/dbraw/zinc/27/87/35/197278735.db2.gz LUMXEHYMHHMIAJ-NVXWUHKLSA-N 1 0 301.434 2.350 10 0 DEAERO C[C@H]([NH2+]Cc1ccc(I)o1)[C@H]1CCOC1 ZINC000158490049 197277816 /nfs/dbraw/zinc/27/78/16/197277816.db2.gz FTPSWKZXZLHCQY-IUCAKERBSA-N 1 0 321.158 2.399 10 0 DEAERO CC(C)CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000158493259 197277659 /nfs/dbraw/zinc/27/76/59/197277659.db2.gz QDNZICJKAZOADT-UHFFFAOYSA-N 1 0 323.340 2.387 10 0 DEAERO COC(=O)CCn1c(N)[nH+]c2cc(F)c(Br)cc21 ZINC000158384429 197266903 /nfs/dbraw/zinc/26/69/03/197266903.db2.gz BZSXYGFKPAOAAV-UHFFFAOYSA-N 1 0 316.130 2.083 10 0 DEAERO CC(C)Oc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000158446346 197272588 /nfs/dbraw/zinc/27/25/88/197272588.db2.gz OFERCINPTFGVCE-UKRRQHHQSA-N 1 0 305.422 2.424 10 0 DEAERO CC(C)(C)[C@@H]([NH3+])C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000158255684 197256821 /nfs/dbraw/zinc/25/68/21/197256821.db2.gz MYIQWGZLKBTTTC-LBPRGKRZSA-N 1 0 307.785 2.233 10 0 DEAERO CC(C)(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000158238264 197255989 /nfs/dbraw/zinc/25/59/89/197255989.db2.gz XGBRDLBRKKFTNB-AXFHLTTASA-N 1 0 310.360 2.366 10 0 DEAERO OC[C@@]1(Cc2cccc(F)c2Br)CCC[NH2+]C1 ZINC000157874593 197222202 /nfs/dbraw/zinc/22/22/02/197222202.db2.gz QSOJXNHSWFPAPJ-CYBMUJFWSA-N 1 0 302.187 2.493 10 0 DEAERO CC[C@H]1CN(S(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)CCS1 ZINC000157702450 197209216 /nfs/dbraw/zinc/20/92/16/197209216.db2.gz LJCGWWCQPBYIIS-YPMHNXCESA-N 1 0 314.476 2.222 10 0 DEAERO CCn1ncc(Br)c1[C@@H](O)[C@](C)(CC)[NH+](C)C ZINC000157611707 197201743 /nfs/dbraw/zinc/20/17/43/197201743.db2.gz UAYRGPLNNQTYCB-NEPJUHHUSA-N 1 0 304.232 2.429 10 0 DEAERO CCN[C@](C)(CCCC[N@H+](C)CCOC(C)C)C(=O)OC ZINC000157493521 197192319 /nfs/dbraw/zinc/19/23/19/197192319.db2.gz PNLDSTIWGDAJAV-MRXNPFEDSA-N 1 0 302.459 2.055 10 0 DEAERO CCn1cc(Br)cc1C(=O)NCC[C@@H]1CCC[NH2+]1 ZINC000157389982 197183888 /nfs/dbraw/zinc/18/38/88/197183888.db2.gz XLWLXPABZMDNPD-NSHDSACASA-N 1 0 314.227 2.142 10 0 DEAERO Cc1nc(CN2CCCN(Cc3csnn3)CC2)cs1 ZINC000157256778 197174792 /nfs/dbraw/zinc/17/47/92/197174792.db2.gz SFQFLXFUSXYRBT-UHFFFAOYSA-N 1 0 309.464 2.011 10 0 DEAERO CCC[NH2+]C[C@@H](O)COc1ccc(Br)c(C)c1 ZINC000157058922 197159365 /nfs/dbraw/zinc/15/93/65/197159365.db2.gz XPAZOFSJBGJSKH-LLVKDONJSA-N 1 0 302.212 2.497 10 0 DEAERO O=C1NCCCC[C@@H]1[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000120326039 195143841 /nfs/dbraw/zinc/14/38/41/195143841.db2.gz RDUQQWPQFYOMSP-DLBZAZTESA-N 1 0 320.408 2.240 10 0 DEAERO CCCN(CC(F)(F)F)C(=O)[C@@]1([NH3+])C[C@H](OCC)C1(C)C ZINC000156945974 197151490 /nfs/dbraw/zinc/15/14/90/197151490.db2.gz LOMJMCXZOKAVRO-GWCFXTLKSA-N 1 0 310.360 2.320 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000156713240 197134741 /nfs/dbraw/zinc/13/47/41/197134741.db2.gz MRCGVJOGZDRZGR-NXEZZACHSA-N 1 0 302.296 2.408 10 0 DEAERO CC(C)[C@H]([NH3+])CCN(C)c1ccccc1S(=O)(=O)C(F)F ZINC000156788367 197140771 /nfs/dbraw/zinc/14/07/71/197140771.db2.gz UYBKAHMLJQWAQS-LLVKDONJSA-N 1 0 320.405 2.493 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCCCS1)c1ccc(S(N)(=O)=O)cc1 ZINC000156340891 197105840 /nfs/dbraw/zinc/10/58/40/197105840.db2.gz DFMDNSHNAFYWEZ-WCQYABFASA-N 1 0 314.476 2.270 10 0 DEAERO COCC(=O)N1CCC([NH2+][C@@H]2CSc3ccccc32)CC1 ZINC000156335078 197105271 /nfs/dbraw/zinc/10/52/71/197105271.db2.gz GNZRHAGJRXFUSK-CQSZACIVSA-N 1 0 306.431 2.060 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)Cc1c(C)noc1C ZINC000156283330 197100964 /nfs/dbraw/zinc/10/09/64/197100964.db2.gz NYYIPMOXPDLEPX-NEPJUHHUSA-N 1 0 310.442 2.252 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000156282913 197101061 /nfs/dbraw/zinc/10/10/61/197101061.db2.gz SGZUMGFEDOWDDK-CYBMUJFWSA-N 1 0 307.442 2.029 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccc(C(F)(F)F)cc1C(N)=O ZINC000156246259 197098148 /nfs/dbraw/zinc/09/81/48/197098148.db2.gz NPGJLXCVTQXSLE-SCZZXKLOSA-N 1 0 301.312 2.120 10 0 DEAERO CC(C)C[NH2+]Cc1cc(-c2ccc(S(C)(=O)=O)cc2)on1 ZINC000156241025 197097821 /nfs/dbraw/zinc/09/78/21/197097821.db2.gz YIFDPVXJVFOISV-UHFFFAOYSA-N 1 0 308.403 2.491 10 0 DEAERO COc1cccc(F)c1[C@H]([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000156088651 197086104 /nfs/dbraw/zinc/08/61/04/197086104.db2.gz YICFMRZECCGWGB-JRPNMDOOSA-N 1 0 315.410 2.438 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1cccc(F)c1Br)C1CC1 ZINC000156000599 197078792 /nfs/dbraw/zinc/07/87/92/197078792.db2.gz QSVCFZSMEANWSX-SNVBAGLBSA-N 1 0 301.159 2.055 10 0 DEAERO C[C@@H]1C[C@@H](Nc2ccc(F)c(NS(C)(=O)=O)c2)CC[N@@H+]1C ZINC000155963064 197077720 /nfs/dbraw/zinc/07/77/20/197077720.db2.gz YBCBYQRJWONPDP-PWSUYJOCSA-N 1 0 315.414 2.092 10 0 DEAERO COC(=O)Nc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000155520871 197062954 /nfs/dbraw/zinc/06/29/54/197062954.db2.gz ISKKCTURWQPAAS-DOMZBBRYSA-N 1 0 319.405 2.323 10 0 DEAERO Cc1nc(C)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000558790042 291905802 /nfs/dbraw/zinc/90/58/02/291905802.db2.gz UGOFLBYXKNMWRJ-DZGCQCFKSA-N 1 0 310.463 2.417 10 0 DEAERO CCc1noc(C)c1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000155481262 197059019 /nfs/dbraw/zinc/05/90/19/197059019.db2.gz NHBDQAMTAZCYEP-ZDUSSCGKSA-N 1 0 324.425 2.120 10 0 DEAERO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000120354335 195150034 /nfs/dbraw/zinc/15/00/34/195150034.db2.gz DKQHTQLZHICHTC-MCIONIFRSA-N 1 0 323.234 2.421 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(N(C)C)cc2F)CC[N@@H+]1C ZINC000155087730 197020459 /nfs/dbraw/zinc/02/04/59/197020459.db2.gz CXRPTPNSADYDGT-TZMCWYRMSA-N 1 0 307.413 2.446 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000245425010 285237959 /nfs/dbraw/zinc/23/79/59/285237959.db2.gz DIOKHSLEQYZGPH-MSOLQXFVSA-N 1 0 317.477 2.102 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000261716406 291914750 /nfs/dbraw/zinc/91/47/50/291914750.db2.gz PQEPVSJIPWMGKX-GXFFZTMASA-N 1 0 314.426 2.048 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000245425012 285272507 /nfs/dbraw/zinc/27/25/07/285272507.db2.gz DIOKHSLEQYZGPH-ROUUACIJSA-N 1 0 317.477 2.102 10 0 DEAERO Cc1ccc(-c2nnco2)cc1NC(=O)N(C)CCC[NH+](C)C ZINC000543598230 285297762 /nfs/dbraw/zinc/29/77/62/285297762.db2.gz USXATJYXEKIKQP-UHFFFAOYSA-N 1 0 317.393 2.460 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000543669739 285301909 /nfs/dbraw/zinc/30/19/09/285301909.db2.gz WBBGVRVEYOUDSP-HNNXBMFYSA-N 1 0 311.470 2.461 10 0 DEAERO c1cc2cc(-c3nc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)cnc2cn1 ZINC000289603738 221096677 /nfs/dbraw/zinc/09/66/77/221096677.db2.gz HQGCPHSAWXQRMO-UKRRQHHQSA-N 1 0 323.356 2.216 10 0 DEAERO Cc1ccccc1CC(=O)N1CC2(C1)CC[C@@H](C[NH+](C)C)CO2 ZINC000248139208 257107965 /nfs/dbraw/zinc/10/79/65/257107965.db2.gz SRADRAIDUIGAAI-INIZCTEOSA-N 1 0 316.445 2.107 10 0 DEAERO C[NH+](C)Cc1cncc2c1CCN(C(=O)Cc1ccccc1)C2 ZINC000248085966 257109629 /nfs/dbraw/zinc/10/96/29/257109629.db2.gz DNTWIWYVUIHTJI-UHFFFAOYSA-N 1 0 309.413 2.271 10 0 DEAERO CC[N@@H+]1C[C@H](COC)[C@@]2(CCN(C(=O)c3ccc(C)o3)C2)C1 ZINC000247913058 257114002 /nfs/dbraw/zinc/11/40/02/257114002.db2.gz LSUBVYJPMUIJPB-PBHICJAKSA-N 1 0 306.406 2.018 10 0 DEAERO c1cncc(C[N@H+]2C[C@H]3COC[C@@]3(COCC3CCC3)C2)c1 ZINC000247848993 257117012 /nfs/dbraw/zinc/11/70/12/257117012.db2.gz NYYYDULJDUSPFK-ROUUACIJSA-N 1 0 302.418 2.347 10 0 DEAERO O=C(Nc1cccnc1)[C@@H]1COC[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]21 ZINC000247465441 257119139 /nfs/dbraw/zinc/11/91/39/257119139.db2.gz CJLOEOJBIOBKSB-RRQGHBQHSA-N 1 0 315.417 2.157 10 0 DEAERO c1cnc(NCC[C@]23CCO[C@H]2CC[N@@H+](C2CCC2)C3)nc1 ZINC000253595591 257105487 /nfs/dbraw/zinc/10/54/87/257105487.db2.gz GKIOYPNBKKMAEA-DOTOQJQBSA-N 1 0 302.422 2.312 10 0 DEAERO c1cncc(C[N@H+]2C[C@@H]3OC[C@@H](COc4ccncc4)[C@@H]3C2)c1 ZINC000253602557 257105584 /nfs/dbraw/zinc/10/55/84/257105584.db2.gz PRHJQSFYDUXFTH-NJAFHUGGSA-N 1 0 311.385 2.002 10 0 DEAERO CC[C@@H]1CN(Cc2ccc(OC)c(OC)c2)CC[N@@H+]1CCOC ZINC000120953467 195270862 /nfs/dbraw/zinc/27/08/62/195270862.db2.gz FHWNVCSSGSQTFT-MRXNPFEDSA-N 1 0 322.449 2.246 10 0 DEAERO CC[C@@H](C[NH3+])CC(=O)Cc1c(Br)c(C)nn1CC ZINC000122049974 195394365 /nfs/dbraw/zinc/39/43/65/195394365.db2.gz PSGSNNNJJDATHS-SNVBAGLBSA-N 1 0 316.243 2.461 10 0 DEAERO CCSCC[C@@H](C[NH2+]CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000122518211 195461598 /nfs/dbraw/zinc/46/15/98/195461598.db2.gz SOYLKLPCGDGRQA-KBPBESRZSA-N 1 0 307.525 2.426 10 0 DEAERO C[NH2+][C@H](Cc1cccc(F)c1Br)[C@H]1COCCO1 ZINC000122563690 195469123 /nfs/dbraw/zinc/46/91/23/195469123.db2.gz CNZBFTKAASXOOQ-VXGBXAGGSA-N 1 0 318.186 2.134 10 0 DEAERO CC[NH2+]Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)CC)c1 ZINC000123074324 195540998 /nfs/dbraw/zinc/54/09/98/195540998.db2.gz OXGSRZMLRYPEKU-CQSZACIVSA-N 1 0 321.446 2.046 10 0 DEAERO CCC[C@]1(c2nnc3n2C[C@@H](C(F)(F)F)CC3)CC[NH2+]C1 ZINC000123147245 195549169 /nfs/dbraw/zinc/54/91/69/195549169.db2.gz KBETVOLDNSZLDO-GWCFXTLKSA-N 1 0 302.344 2.434 10 0 DEAERO O=C(C[C@@H]1CSCCS1)N1CCC([NH+]2CCCC2)CC1 ZINC000123277530 195563907 /nfs/dbraw/zinc/56/39/07/195563907.db2.gz KDEOJYJQGRGPOY-CQSZACIVSA-N 1 0 314.520 2.312 10 0 DEAERO C[C@H]1CN(C(=O)C2(C(N)=S)CCCCCC2)C[C@H]1[NH+](C)C ZINC000124077551 195601283 /nfs/dbraw/zinc/60/12/83/195601283.db2.gz WDZKEMKPWOGWAZ-QWHCGFSZSA-N 1 0 311.495 2.022 10 0 DEAERO C[C@@H](C[NH3+])CCC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000124167221 195611849 /nfs/dbraw/zinc/61/18/49/195611849.db2.gz ZKYHKFGBCBEWQN-CYBMUJFWSA-N 1 0 309.841 2.364 10 0 DEAERO Cc1ccc(CN(C)c2nc(NN)[nH+]cc2Br)cc1 ZINC000124883632 195690362 /nfs/dbraw/zinc/69/03/62/195690362.db2.gz HYDQJUFJMZYNFR-UHFFFAOYSA-N 1 0 322.210 2.470 10 0 DEAERO CCC[NH2+]C[C@@H](O)C[S@](=O)c1ccc(Cl)c(Cl)c1 ZINC000126464800 195841909 /nfs/dbraw/zinc/84/19/09/195841909.db2.gz LEWFPJDXRJYOMA-DYBLOJMWSA-N 1 0 310.246 2.462 10 0 DEAERO Cc1nc(NC(=O)[C@@H](C)N2CCC([NH+](C)C)CC2)sc1C ZINC000127946418 195923834 /nfs/dbraw/zinc/92/38/34/195923834.db2.gz UVSXNYZASUFBAM-LLVKDONJSA-N 1 0 310.467 2.113 10 0 DEAERO Cc1csc([C@@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)n1 ZINC000545150748 285392142 /nfs/dbraw/zinc/39/21/42/285392142.db2.gz SAEUMGWIBOEKPS-CYBMUJFWSA-N 1 0 308.451 2.464 10 0 DEAERO O=C(C[NH2+]Cc1ccc(OC(F)F)cc1)NCc1ccco1 ZINC000030641903 132477930 /nfs/dbraw/zinc/47/79/30/132477930.db2.gz PUIBOVMLGVYNCQ-UHFFFAOYSA-N 1 0 310.300 2.287 10 0 DEAERO COc1ccc(OCCCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195314515 132546477 /nfs/dbraw/zinc/54/64/77/132546477.db2.gz UOLLNJHNRVIWCG-OAHLLOKOSA-N 1 0 318.417 2.161 10 0 DEAERO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000725242525 542769775 /nfs/dbraw/zinc/76/97/75/542769775.db2.gz CCJUOAKBVXDUBX-LRDDRELGSA-N 1 0 308.426 2.320 10 0 DEAERO Cn1cnc2c1[C@@]1(CCCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC2 ZINC000725242544 542770258 /nfs/dbraw/zinc/77/02/58/542770258.db2.gz DMZOMMDUQQZNPZ-KRWDZBQOSA-N 1 0 320.437 2.182 10 0 DEAERO C[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)[NH2+]CCc1ncn(C)c12 ZINC000725242530 542770279 /nfs/dbraw/zinc/77/02/79/542770279.db2.gz CCOAJLOSKMXREB-SJKOYZFVSA-N 1 0 320.437 2.181 10 0 DEAERO CCOCCOC[C@@H](O)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000357862553 133105721 /nfs/dbraw/zinc/10/57/21/133105721.db2.gz YRPKIDXTYCZWDO-PREGVCBESA-N 1 0 311.397 2.075 10 0 DEAERO Cn1nc2ccccc2c1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357883588 133107196 /nfs/dbraw/zinc/10/71/96/133107196.db2.gz UGGLCRUCOCEZAK-UHFFFAOYSA-N 1 0 312.417 2.320 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000357908513 133108624 /nfs/dbraw/zinc/10/86/24/133108624.db2.gz RUCIEDQDIRVTPP-CVEARBPZSA-N 1 0 321.465 2.237 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000357985114 133113529 /nfs/dbraw/zinc/11/35/29/133113529.db2.gz JDGALORGAJRBMS-CYBMUJFWSA-N 1 0 315.421 2.237 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCc2ccc(F)c(F)c2)CC1 ZINC000358195355 133127489 /nfs/dbraw/zinc/12/74/89/133127489.db2.gz SYTANUWPRISQIZ-UHFFFAOYSA-N 1 0 309.360 2.416 10 0 DEAERO CCCC[N@H+](C)C[C@H](C)NC(=O)NC1(CCO)CCCCC1 ZINC000359906119 133151849 /nfs/dbraw/zinc/15/18/49/133151849.db2.gz FDMNTMHRWNGUGI-HNNXBMFYSA-N 1 0 313.486 2.491 10 0 DEAERO C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC000361915045 133199413 /nfs/dbraw/zinc/19/94/13/133199413.db2.gz GZVZVUZOZDAWOM-DZGCQCFKSA-N 1 0 304.438 2.429 10 0 DEAERO COC[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000362869189 133256172 /nfs/dbraw/zinc/25/61/72/133256172.db2.gz UGKOHLPYVFHLER-INIZCTEOSA-N 1 0 308.397 2.361 10 0 DEAERO 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XYUGDSUFSQSBEH-HNNXBMFYSA-N 1 0 318.808 2.121 10 0 DEAERO c1ncn(-c2ccc(C[NH+]3CCC(c4c[nH]cn4)CC3)cc2)n1 ZINC000377231037 133323469 /nfs/dbraw/zinc/32/34/69/133323469.db2.gz HWYAJGVXFFJUEW-UHFFFAOYSA-N 1 0 308.389 2.370 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000373019544 133374483 /nfs/dbraw/zinc/37/44/83/133374483.db2.gz HWBGUXPUVMDBTF-MWDXBVQZSA-N 1 0 323.481 2.196 10 0 DEAERO COCC[NH2+]C[C@H]1CCCCN1c1ncnc2sccc21 ZINC000053701043 134770291 /nfs/dbraw/zinc/77/02/91/134770291.db2.gz FKXGMFFQGZMIPT-GFCCVEGCSA-N 1 0 306.435 2.286 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000061227789 134799895 /nfs/dbraw/zinc/79/98/95/134799895.db2.gz GDCTXGQPPFWCPB-CYBMUJFWSA-N 1 0 309.841 2.234 10 0 DEAERO CC(C)[C@](C)(CO)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000352893816 146616014 /nfs/dbraw/zinc/61/60/14/146616014.db2.gz PTFILJWDZDFQQP-WFASDCNBSA-N 1 0 301.814 2.076 10 0 DEAERO O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CCC2(CC[NH2+]2)CC1 ZINC000564951366 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/nfs/dbraw/zinc/17/49/11/145174911.db2.gz FEHOPYPHGAYUEM-WCQYABFASA-N 1 0 324.396 2.301 10 0 DEAERO Fc1ccc(-n2ccc(CN3CC[N@@H+]4CCC[C@H]4C3)n2)c(F)c1 ZINC000248979605 145175464 /nfs/dbraw/zinc/17/54/64/145175464.db2.gz FIYSQQMASVGCBR-HNNXBMFYSA-N 1 0 318.371 2.431 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000249405787 145183999 /nfs/dbraw/zinc/18/39/99/145183999.db2.gz DCASTQAZVLXIAA-HUUCEWRRSA-N 1 0 320.433 2.246 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249527089 145185996 /nfs/dbraw/zinc/18/59/96/145185996.db2.gz YUDZJEXFCDOMHA-BZUAXINKSA-N 1 0 322.474 2.157 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249539429 145186304 /nfs/dbraw/zinc/18/63/04/145186304.db2.gz DMSOZEYYPLMERN-WMHQRMGPSA-N 1 0 324.490 2.449 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000249745961 145189433 /nfs/dbraw/zinc/18/94/33/145189433.db2.gz MOAHSRRXMFAHTE-JSGCOSHPSA-N 1 0 308.809 2.102 10 0 DEAERO C[C@H](C(=O)NCc1cccnc1N(C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000249763378 145190133 /nfs/dbraw/zinc/19/01/33/145190133.db2.gz XYJPIEUFHKLRFM-MGPQQGTHSA-N 1 0 304.438 2.025 10 0 DEAERO COc1ccc(OC)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000252656854 145199922 /nfs/dbraw/zinc/19/99/22/145199922.db2.gz WGPVLNMRXNJSNH-BBRMVZONSA-N 1 0 318.417 2.260 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc[nH]c(=O)c1 ZINC000253563811 145203393 /nfs/dbraw/zinc/20/33/93/145203393.db2.gz GMNCRFCEMIWTBO-XJKSGUPXSA-N 1 0 311.385 2.038 10 0 DEAERO [NH3+]C1(CNS(=O)(=O)CCc2cccs2)CCCCCC1 ZINC000261616961 145210831 /nfs/dbraw/zinc/21/08/31/145210831.db2.gz BHMOVCUFFJFXQM-UHFFFAOYSA-N 1 0 316.492 2.262 10 0 DEAERO CN(CC(=O)N1CCC[C@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261653250 145214003 /nfs/dbraw/zinc/21/40/03/145214003.db2.gz FOLMOYHRCPMHKL-WKUFJEKOSA-N 1 0 319.493 2.382 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1n[nH]c2ccccc12 ZINC000261664385 145215046 /nfs/dbraw/zinc/21/50/46/145215046.db2.gz OEHJTWXAEATDTR-CSCWVGTJSA-N 1 0 312.417 2.128 10 0 DEAERO [NH3+][C@H](C(=O)NCC1(c2ccc(F)cc2)CCC1)C1CCOCC1 ZINC000261669270 145215059 /nfs/dbraw/zinc/21/50/59/145215059.db2.gz GDQSJKFLPZPOJZ-INIZCTEOSA-N 1 0 320.408 2.118 10 0 DEAERO Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261689766 145217231 /nfs/dbraw/zinc/21/72/31/145217231.db2.gz HKRJFVVGEOJNIO-CVEARBPZSA-N 1 0 304.434 2.237 10 0 DEAERO CCc1ccc(C(=O)CCC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000261695681 145217502 /nfs/dbraw/zinc/21/75/02/145217502.db2.gz IXUPLKWEAKQGMU-UKRRQHHQSA-N 1 0 302.418 2.408 10 0 DEAERO COc1ccc2nc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)ccc2c1 ZINC000261701177 145218212 /nfs/dbraw/zinc/21/82/12/145218212.db2.gz BLQOFZRJEYKXSY-INIZCTEOSA-N 1 0 313.401 2.443 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)CCc1cscn1 ZINC000261706246 145218504 /nfs/dbraw/zinc/21/85/04/145218504.db2.gz KECVQYBWUIUOPE-UHFFFAOYSA-N 1 0 303.431 2.106 10 0 DEAERO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000261709393 145219279 /nfs/dbraw/zinc/21/92/79/145219279.db2.gz DKQHTQLZHICHTC-IHRRRGAJSA-N 1 0 323.234 2.421 10 0 DEAERO [NH3+][C@@H]1CN(Cc2cc(-c3cccnc3)n[nH]2)C[C@H]1c1ccccc1 ZINC000261730579 145221210 /nfs/dbraw/zinc/22/12/10/145221210.db2.gz OGNVSKDMZURXJJ-ZWKOTPCHSA-N 1 0 319.412 2.398 10 0 DEAERO C[C@@]1(CN2CCN(Cc3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000261765570 145224544 /nfs/dbraw/zinc/22/45/44/145224544.db2.gz LVBJEMFTEFAIFW-QGZVFWFLSA-N 1 0 307.869 2.457 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CC[NH2+]CC12CCCCC2 ZINC000261835516 145231799 /nfs/dbraw/zinc/23/17/99/145231799.db2.gz YAOFKUBADBKLQK-UHFFFAOYSA-N 1 0 311.433 2.375 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000261855883 145233660 /nfs/dbraw/zinc/23/36/60/145233660.db2.gz QYHDYBRBLGKKLK-SLEUVZQESA-N 1 0 323.387 2.177 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)n1 ZINC000261862739 145234263 /nfs/dbraw/zinc/23/42/63/145234263.db2.gz ULZWTNYLWMNGDH-GYSYKLTISA-N 1 0 314.389 2.482 10 0 DEAERO COc1cc(N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc(OC)c1 ZINC000261888055 145238095 /nfs/dbraw/zinc/23/80/95/145238095.db2.gz GDQMBRSSCRDPSK-BRWVUGGUSA-N 1 0 306.406 2.273 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)Oc1ccccc1 ZINC000261900521 145239711 /nfs/dbraw/zinc/23/97/11/145239711.db2.gz HQGMWSFMLBLAHE-VDHUWJSZSA-N 1 0 304.434 2.201 10 0 DEAERO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)c1cccs1 ZINC000261907970 145240176 /nfs/dbraw/zinc/24/01/76/145240176.db2.gz INZKTUMXOVPSEM-KLHDSHLOSA-N 1 0 323.506 2.098 10 0 DEAERO CCc1ccc(O)c(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000261924556 145242518 /nfs/dbraw/zinc/24/25/18/145242518.db2.gz SBTMGKJBROWVBO-HNJNHCNJSA-N 1 0 318.417 2.426 10 0 DEAERO CCSc1ccc([C@@H](C)NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261922518 145242741 /nfs/dbraw/zinc/24/27/41/145242741.db2.gz VEFYKDNZLPWJEK-GFCCVEGCSA-N 1 0 308.447 2.484 10 0 DEAERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc2c1NCC2 ZINC000261928391 145243616 /nfs/dbraw/zinc/24/36/16/145243616.db2.gz LFPSXPZQGRSACG-JKSUJKDBSA-N 1 0 318.417 2.197 10 0 DEAERO CCOCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261934807 145244069 /nfs/dbraw/zinc/24/40/69/145244069.db2.gz MCWXZRAIUZWSQI-OTWHNJEPSA-N 1 0 318.461 2.470 10 0 DEAERO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261937172 145244360 /nfs/dbraw/zinc/24/43/60/145244360.db2.gz JBANHZHBFPSHDB-DZGCQCFKSA-N 1 0 323.481 2.047 10 0 DEAERO Cc1cccc(C)c1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261933175 145244394 /nfs/dbraw/zinc/24/43/94/145244394.db2.gz JWBZXZXFAXFRPY-XYPWUTKMSA-N 1 0 301.434 2.457 10 0 DEAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000261949495 145245715 /nfs/dbraw/zinc/24/57/15/145245715.db2.gz WDEJPDILWJKIJU-HNNXBMFYSA-N 1 0 313.405 2.043 10 0 DEAERO CC1(C)CN(C(=O)CCC(=O)c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000261955422 145246307 /nfs/dbraw/zinc/24/63/07/145246307.db2.gz ZQECKFWFWAUMIM-HNNXBMFYSA-N 1 0 306.381 2.374 10 0 DEAERO Cc1[nH]c2ccc(CNC(=O)C3(C[NH3+])CCOCC3)cc2c1C ZINC000261954430 145246441 /nfs/dbraw/zinc/24/64/41/145246441.db2.gz OTTYFJUOSDFUQL-UHFFFAOYSA-N 1 0 315.417 2.156 10 0 DEAERO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1(C[NH3+])CCOCC1 ZINC000261959583 145247243 /nfs/dbraw/zinc/24/72/43/145247243.db2.gz XNABKILTGNWWRZ-UHFFFAOYSA-N 1 0 320.477 2.417 10 0 DEAERO COc1cccc(CO[C@H](C)C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261962222 145247363 /nfs/dbraw/zinc/24/73/63/145247363.db2.gz LATVZMVFHWHBHV-CJNGLKHVSA-N 1 0 320.433 2.186 10 0 DEAERO COCc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)ccc1F ZINC000261972935 145248950 /nfs/dbraw/zinc/24/89/50/145248950.db2.gz QUKMLICDMMJDTF-NXHRZFHOSA-N 1 0 322.424 2.219 10 0 DEAERO Clc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000262005610 145251936 /nfs/dbraw/zinc/25/19/36/145251936.db2.gz UYSSFFKPKDYILY-BRWVUGGUSA-N 1 0 324.852 2.466 10 0 DEAERO CC1(C)CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC[C@@H]1[NH3+] ZINC000262010206 145253137 /nfs/dbraw/zinc/25/31/37/145253137.db2.gz OCCKETFRUVPAIM-HNNXBMFYSA-N 1 0 316.380 2.415 10 0 DEAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc(Nc2cnccn2)c1 ZINC000262024898 145254745 /nfs/dbraw/zinc/25/47/45/145254745.db2.gz RVIDJZDXUGBKNQ-QWHCGFSZSA-N 1 0 311.389 2.030 10 0 DEAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000262051088 145256876 /nfs/dbraw/zinc/25/68/76/145256876.db2.gz CVGZCIALDOLPIX-JTQLQIEISA-N 1 0 316.323 2.391 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000262064633 145258261 /nfs/dbraw/zinc/25/82/61/145258261.db2.gz RYGAQAUTBBLJCW-MRXNPFEDSA-N 1 0 318.808 2.337 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262062944 145258295 /nfs/dbraw/zinc/25/82/95/145258295.db2.gz RUVIYWFOGCSMQV-INIZCTEOSA-N 1 0 320.481 2.284 10 0 DEAERO O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)C1C[NH2+]C1 ZINC000262220018 145270091 /nfs/dbraw/zinc/27/00/91/145270091.db2.gz KHKYIIVGZWITMB-LJQANCHMSA-N 1 0 322.408 2.437 10 0 DEAERO C[C@@H](C[NH3+])C(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000262325582 145276465 /nfs/dbraw/zinc/27/64/65/145276465.db2.gz FYEHXLCRVVRZOV-STQMWFEESA-N 1 0 309.841 2.140 10 0 DEAERO C[C@@H](CC1CCCC1)C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262370158 145279337 /nfs/dbraw/zinc/27/93/37/145279337.db2.gz LXTJTUCBMWDKMM-LBPRGKRZSA-N 1 0 319.453 2.437 10 0 DEAERO C[C@H]1C[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC[NH2+]1 ZINC000262368406 145279455 /nfs/dbraw/zinc/27/94/55/145279455.db2.gz JPTJULKCUUJLRK-UWVGGRQHSA-N 1 0 317.311 2.349 10 0 DEAERO CC[C@@H](C)[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262401771 145281554 /nfs/dbraw/zinc/28/15/54/145281554.db2.gz YOXLZHZNFODNOF-SIXLDLHFSA-N 1 0 318.465 2.150 10 0 DEAERO CC(C)[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000262409209 145282190 /nfs/dbraw/zinc/28/21/90/145282190.db2.gz ZDFIQSGGMJMHQI-OIISXLGYSA-N 1 0 318.465 2.008 10 0 DEAERO CC[NH2+][C@H](C)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000262468596 145286128 /nfs/dbraw/zinc/28/61/28/145286128.db2.gz OFLMVMMFUWLGMK-ZOWXZIJZSA-N 1 0 303.406 2.009 10 0 DEAERO CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1C ZINC000262511965 145288551 /nfs/dbraw/zinc/28/85/51/145288551.db2.gz NBAIVYYSGDESLB-MAZHCROVSA-N 1 0 315.417 2.214 10 0 DEAERO Cc1ccccc1CN(C)C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262553530 145292306 /nfs/dbraw/zinc/29/23/06/145292306.db2.gz SXLZEWFKWCBKOB-MRXNPFEDSA-N 1 0 303.450 2.013 10 0 DEAERO O=C(NCC[C@H]1CC[NH2+]C1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262589653 145295539 /nfs/dbraw/zinc/29/55/39/145295539.db2.gz QOLLUKZWCNHXNL-GFCCVEGCSA-N 1 0 318.808 2.255 10 0 DEAERO CO[C@@H](C)c1noc(CN(C)C(=O)CC2(C[NH3+])CCCCC2)n1 ZINC000262669714 145299290 /nfs/dbraw/zinc/29/92/90/145299290.db2.gz OWRJYHLZUVSGMP-LBPRGKRZSA-N 1 0 324.425 2.035 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)nc21 ZINC000262812658 145306099 /nfs/dbraw/zinc/30/60/99/145306099.db2.gz FZVQOULUJGEUBQ-QWHCGFSZSA-N 1 0 300.406 2.061 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2)CC[NH2+]1 ZINC000262980770 145315510 /nfs/dbraw/zinc/31/55/10/145315510.db2.gz YQVVOOPTBVFHMV-BXUZGUMPSA-N 1 0 318.808 2.396 10 0 DEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000262988730 145316356 /nfs/dbraw/zinc/31/63/56/145316356.db2.gz NMFOBWWMBMJHIO-YCPHGPKFSA-N 1 0 310.825 2.397 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(CCSc2ccccc2F)n1 ZINC000263213589 145336558 /nfs/dbraw/zinc/33/65/58/145336558.db2.gz KNUYAIWILGPAGW-LBPRGKRZSA-N 1 0 322.409 2.120 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2C[C@@H]2c2ccc(F)cc2F)n1 ZINC000263210832 145336673 /nfs/dbraw/zinc/33/66/73/145336673.db2.gz KFYAPPXUZXXHQQ-YRGRVCCFSA-N 1 0 320.343 2.195 10 0 DEAERO C[C@@H](Oc1cccc(Cl)c1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263217862 145337197 /nfs/dbraw/zinc/33/71/97/145337197.db2.gz LFRZWZZWQWRHKV-MFKMUULPSA-N 1 0 322.796 2.439 10 0 DEAERO C[C@@H](Cc1ccccc1F)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263227214 145338655 /nfs/dbraw/zinc/33/86/55/145338655.db2.gz MZLSMISFBVSHJN-SMDDNHRTSA-N 1 0 304.369 2.131 10 0 DEAERO CC(=O)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309812880 145350668 /nfs/dbraw/zinc/35/06/68/145350668.db2.gz XBMHPRCTAJRZST-KZNAEPCWSA-N 1 0 314.429 2.382 10 0 DEAERO CO[C@H]1C[C@H]([NH2+]Cc2c(Br)cnn2C)C1(C)C ZINC000310120574 145352023 /nfs/dbraw/zinc/35/20/23/145352023.db2.gz ABSOHOBOOVSJFF-QWRGUYRKSA-N 1 0 302.216 2.086 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000336718202 145397420 /nfs/dbraw/zinc/39/74/20/145397420.db2.gz REQWVULMEJXGBX-GOSISDBHSA-N 1 0 304.434 2.272 10 0 DEAERO COC(=O)c1cncc(N[C@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000336713364 145397461 /nfs/dbraw/zinc/39/74/61/145397461.db2.gz MSXXURIFPXOGCG-CYBMUJFWSA-N 1 0 314.389 2.196 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCOCc1ccc(OC)cc1 ZINC000357169973 147055639 /nfs/dbraw/zinc/05/56/39/147055639.db2.gz CQFYZFMICQSYMB-KRWDZBQOSA-N 1 0 320.433 2.202 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000358603414 147164696 /nfs/dbraw/zinc/16/46/96/147164696.db2.gz KAHVULVVURLCFE-CABCVRRESA-N 1 0 311.470 2.175 10 0 DEAERO O=C1[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CCN1C1CCOCC1 ZINC000359079506 147258209 /nfs/dbraw/zinc/25/82/09/147258209.db2.gz GSTAPYWLJZZTCH-GOSISDBHSA-N 1 0 314.429 2.434 10 0 DEAERO O=C(NC[C@@H](CO)C1CC1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000359094160 147261617 /nfs/dbraw/zinc/26/16/17/147261617.db2.gz YNDOTEKCZYOOJQ-RDJZCZTQSA-N 1 0 323.481 2.101 10 0 DEAERO C[C@@H](C(=O)NCc1ccc2cc[nH]c2n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000359422358 147325126 /nfs/dbraw/zinc/32/51/26/147325126.db2.gz MRKLHTLHBXQNHT-UPJWGTAASA-N 1 0 300.406 2.440 10 0 DEAERO CCOCc1nc([C@H](C)NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)no1 ZINC000359506327 147339482 /nfs/dbraw/zinc/33/94/82/147339482.db2.gz MBRNGKWKAQGLFL-RNJOBUHISA-N 1 0 324.425 2.045 10 0 DEAERO C[N@H+](Cc1cccc(Br)c1)[C@]1(CO)CCOC1 ZINC000359571643 147353537 /nfs/dbraw/zinc/35/35/37/147353537.db2.gz LOKWDRAXQIPLRW-ZDUSSCGKSA-N 1 0 300.196 2.032 10 0 DEAERO CC(=O)CCC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000374391242 148240789 /nfs/dbraw/zinc/24/07/89/148240789.db2.gz WXCPCUPVUMHELI-OAHLLOKOSA-N 1 0 302.418 2.479 10 0 DEAERO COc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1F ZINC000374719587 148282244 /nfs/dbraw/zinc/28/22/44/148282244.db2.gz VVTZXGZMVXYHOM-YOEHRIQHSA-N 1 0 323.408 2.492 10 0 DEAERO Cc1nn(-c2ccccn2)c(C)c1CN1CCO[C@@H](C2CC2)C1 ZINC000375009089 148315282 /nfs/dbraw/zinc/31/52/82/148315282.db2.gz BPWCRZMIQOBRHF-QGZVFWFLSA-N 1 0 312.417 2.495 10 0 DEAERO COCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111786627 401723411 /nfs/dbraw/zinc/72/34/11/401723411.db2.gz ATHMUUWULUUFTM-ALOPSCKCSA-N 1 0 317.433 2.128 10 0 DEAERO CCCNC(=O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127365789 401730977 /nfs/dbraw/zinc/73/09/77/401730977.db2.gz VVKJPYBIPVWQEK-UHFFFAOYSA-N 1 0 303.175 2.204 10 0 DEAERO Cc1c(C(=O)NCC[NH+](C)C)cnn1-c1ccccc1Cl ZINC000112206568 401733619 /nfs/dbraw/zinc/73/36/19/401733619.db2.gz ORILVPGYHCSSID-UHFFFAOYSA-N 1 0 306.797 2.126 10 0 DEAERO COc1ccc([C@H](C)NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000112560983 401749221 /nfs/dbraw/zinc/74/92/21/401749221.db2.gz ZQQMBXITSFUUAL-WCQYABFASA-N 1 0 306.381 2.401 10 0 DEAERO CCS(=O)(=O)NCCC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000127599507 401741942 /nfs/dbraw/zinc/74/19/42/401741942.db2.gz WFXVXWVIPPQLIZ-GFCCVEGCSA-N 1 0 302.415 2.114 10 0 DEAERO Fc1ccc(Br)cc1C[NH2+]CCCn1ccnn1 ZINC000126467346 401695931 /nfs/dbraw/zinc/69/59/31/401695931.db2.gz RIUGNIZNIDTNFA-UHFFFAOYSA-N 1 0 313.174 2.360 10 0 DEAERO C[N@H+](C[C@@H](O)Cc1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251246 401704383 /nfs/dbraw/zinc/70/43/83/401704383.db2.gz UMDLKJNARAAYNG-RBUKOAKNSA-N 1 0 324.424 2.327 10 0 DEAERO Cc1ccc(S(=O)(=O)[C@H](C[NH3+])c2ccc3c(c2)OCO3)cc1 ZINC000008037412 401747514 /nfs/dbraw/zinc/74/75/14/401747514.db2.gz BOKIZQXHNSMNDG-MRXNPFEDSA-N 1 0 319.382 2.197 10 0 DEAERO COc1ccc(S(=O)(=O)[C@H](C[NH3+])c2ccccc2OC)cc1 ZINC000008037213 401747640 /nfs/dbraw/zinc/74/76/40/401747640.db2.gz DXJRROCFZXDXQQ-MRXNPFEDSA-N 1 0 321.398 2.178 10 0 DEAERO COCCOC[C@@H]1CC[N@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000072796783 401712038 /nfs/dbraw/zinc/71/20/38/401712038.db2.gz XOTFGWXENFGNFH-OAHLLOKOSA-N 1 0 315.417 2.423 10 0 DEAERO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cnn3c2CCCC3)C1 ZINC000126966094 401714949 /nfs/dbraw/zinc/71/49/49/401714949.db2.gz YXVLEUASNYXQSD-GJZGRUSLSA-N 1 0 318.465 2.317 10 0 DEAERO CCOc1ccccc1OCC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000075590513 401763228 /nfs/dbraw/zinc/76/32/28/401763228.db2.gz VBSKPTIGDNRAGG-UHFFFAOYSA-N 1 0 320.433 2.264 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000113225256 401770685 /nfs/dbraw/zinc/77/06/85/401770685.db2.gz XWJWRXILOOAIEW-QWHCGFSZSA-N 1 0 311.385 2.249 10 0 DEAERO Cc1ccc(OCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000113232234 401771531 /nfs/dbraw/zinc/77/15/31/401771531.db2.gz PAWQQTHDTBZAGY-JKSUJKDBSA-N 1 0 302.418 2.377 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccsc2)no1 ZINC000113269356 401773714 /nfs/dbraw/zinc/77/37/14/401773714.db2.gz KKMVXHOHWPVFNG-WCQYABFASA-N 1 0 304.419 2.467 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccccc1F ZINC000113268120 401773764 /nfs/dbraw/zinc/77/37/64/401773764.db2.gz COVOWFJWBNMXKH-ZIAGYGMSSA-N 1 0 305.397 2.323 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccccc1F ZINC000113268122 401774045 /nfs/dbraw/zinc/77/40/45/401774045.db2.gz COVOWFJWBNMXKH-UONOGXRCSA-N 1 0 305.397 2.323 10 0 DEAERO COC(=O)c1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113367060 401777597 /nfs/dbraw/zinc/77/75/97/401777597.db2.gz UGRPHYWVNJKRTH-IUODEOHRSA-N 1 0 317.389 2.174 10 0 DEAERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N1CCc2ccccc21 ZINC000128538698 401781980 /nfs/dbraw/zinc/78/19/80/401781980.db2.gz SSTXGWQXGGBACK-APWZRJJASA-N 1 0 314.429 2.203 10 0 DEAERO CCc1nc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cs1 ZINC000113619251 401783632 /nfs/dbraw/zinc/78/36/32/401783632.db2.gz GSTBFNZSPKDWKB-WCQYABFASA-N 1 0 308.451 2.084 10 0 DEAERO CCc1nnsc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115417204 401827164 /nfs/dbraw/zinc/82/71/64/401827164.db2.gz KWNYMMPJDYAGPX-UHFFFAOYSA-N 1 0 322.409 2.231 10 0 DEAERO COc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)c(O)c1 ZINC000130440587 401832110 /nfs/dbraw/zinc/83/21/10/401832110.db2.gz VRDHOBSIMHVYKF-UHFFFAOYSA-N 1 0 306.406 2.251 10 0 DEAERO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cn1 ZINC000116247777 401847040 /nfs/dbraw/zinc/84/70/40/401847040.db2.gz CXBLMVGMKOWIEQ-KBXCAEBGSA-N 1 0 324.428 2.425 10 0 DEAERO CCOCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116248710 401847274 /nfs/dbraw/zinc/84/72/74/401847274.db2.gz ZQPPGPKEFGKOBR-RDJZCZTQSA-N 1 0 319.449 2.225 10 0 DEAERO CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116320074 401848986 /nfs/dbraw/zinc/84/89/86/401848986.db2.gz KJBYFLUUJYECNM-GJZGRUSLSA-N 1 0 306.454 2.294 10 0 DEAERO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116313410 401849653 /nfs/dbraw/zinc/84/96/53/401849653.db2.gz XIPZXXDCVHWZPO-INIZCTEOSA-N 1 0 312.417 2.111 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc(C[S@](C)=O)c1 ZINC000078614811 401858629 /nfs/dbraw/zinc/85/86/29/401858629.db2.gz IQWLWFQBHDTECD-KSFYIVLOSA-N 1 0 324.490 2.271 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000116788391 401859312 /nfs/dbraw/zinc/85/93/12/401859312.db2.gz DNHNUVDKSQJSJU-LLVKDONJSA-N 1 0 317.216 2.396 10 0 DEAERO C[C@H](SCc1ccccc1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116793516 401859319 /nfs/dbraw/zinc/85/93/19/401859319.db2.gz OCWMVFVJVPQTNG-HOCLYGCPSA-N 1 0 322.474 2.097 10 0 DEAERO Cc1ccc(CCCCC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116789311 401859447 /nfs/dbraw/zinc/85/94/47/401859447.db2.gz JCKREYJNQMOPRG-GOSISDBHSA-N 1 0 318.461 2.497 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2csc3ccccc23)CCO1 ZINC000116789938 401859450 /nfs/dbraw/zinc/85/94/50/401859450.db2.gz KTBDIBWOEQVXKX-LBPRGKRZSA-N 1 0 304.415 2.304 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)COCc1ccco1)c1ccc2c(c1)OCO2 ZINC000030536021 401864098 /nfs/dbraw/zinc/86/40/98/401864098.db2.gz KFKKOUQTVYFTNN-GXTWGEPZSA-N 1 0 319.357 2.237 10 0 DEAERO C[C@@H]1COC[C@@H](C)[NH+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000077370884 401812752 /nfs/dbraw/zinc/81/27/52/401812752.db2.gz KJAWFMIDOKBTPF-ZIAGYGMSSA-N 1 0 316.401 2.172 10 0 DEAERO C[C@H]1CC[C@@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)O1 ZINC000130048630 401816466 /nfs/dbraw/zinc/81/64/66/401816466.db2.gz SVOMPFKFBJIDRU-YOEHRIQHSA-N 1 0 302.418 2.466 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)C(=O)N1c1ccccc1 ZINC000119092631 401925386 /nfs/dbraw/zinc/92/53/86/401925386.db2.gz KNCVEJHNZXXIOE-DYVFJYSZSA-N 1 0 323.396 2.069 10 0 DEAERO CC[C@@H](O)CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000135051746 401925623 /nfs/dbraw/zinc/92/56/23/401925623.db2.gz WVZMYQGQYGVYNN-GHMZBOCLSA-N 1 0 322.232 2.484 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[C@H]1CCCCO1 ZINC000087159801 401928328 /nfs/dbraw/zinc/92/83/28/401928328.db2.gz OUBIBHDXYXHJBL-IAGOWNOFSA-N 1 0 304.434 2.235 10 0 DEAERO CC[C@H]1CN(C(=O)Cc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000117305380 401873538 /nfs/dbraw/zinc/87/35/38/401873538.db2.gz WGRPJLCLGWFRGL-KRWDZBQOSA-N 1 0 304.434 2.107 10 0 DEAERO CCCN(CC(F)(F)F)C(=O)COc1ccc(C[NH3+])cc1 ZINC000042737769 401934565 /nfs/dbraw/zinc/93/45/65/401934565.db2.gz JMKCOMHIHVZMRM-UHFFFAOYSA-N 1 0 304.312 2.325 10 0 DEAERO O=C(NCC[NH+]1CCCC1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000079796251 401881167 /nfs/dbraw/zinc/88/11/67/401881167.db2.gz NCKPWBZXVMRCMK-UHFFFAOYSA-N 1 0 318.808 2.351 10 0 DEAERO C[C@@H](Oc1cccnc1)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000117746970 401882689 /nfs/dbraw/zinc/88/26/89/401882689.db2.gz PCTBBNHFUMNBLV-RHSMWYFYSA-N 1 0 313.401 2.268 10 0 DEAERO C[NH+]1CCC(CNC(=O)C[C@@H]2CCOc3ccccc32)CC1 ZINC000117778686 401884510 /nfs/dbraw/zinc/88/45/10/401884510.db2.gz BRVHAQURCVZGCT-HNNXBMFYSA-N 1 0 302.418 2.401 10 0 DEAERO COc1cc(C[NH2+][C@@H]2CCO[C@H]2C)cc(Br)c1O ZINC000135312061 401935153 /nfs/dbraw/zinc/93/51/53/401935153.db2.gz SIDMTCYVGRJIFF-GZMMTYOYSA-N 1 0 316.195 2.430 10 0 DEAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000035230391 401896938 /nfs/dbraw/zinc/89/69/38/401896938.db2.gz JOCJCYBWIJPVBI-CYBMUJFWSA-N 1 0 304.415 2.493 10 0 DEAERO C[C@@H]([NH2+]Cc1ccccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000035230357 401897143 /nfs/dbraw/zinc/89/71/43/401897143.db2.gz UYQANRROWSCQRM-LLVKDONJSA-N 1 0 308.378 2.324 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000118572415 401901165 /nfs/dbraw/zinc/90/11/65/401901165.db2.gz VAXNQSYIWORPGZ-HNNXBMFYSA-N 1 0 307.413 2.497 10 0 DEAERO CCc1ccc(S(=O)(=O)NC[C@@H](C)[NH+](CC)CC)s1 ZINC000036076789 401901774 /nfs/dbraw/zinc/90/17/74/401901774.db2.gz ZQCTYSINTOEJAO-LLVKDONJSA-N 1 0 304.481 2.319 10 0 DEAERO CCCOc1ccccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000118794967 401907783 /nfs/dbraw/zinc/90/77/83/401907783.db2.gz KMLOKUBYBOJEFZ-AWEZNQCLSA-N 1 0 321.421 2.270 10 0 DEAERO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134835368 401916086 /nfs/dbraw/zinc/91/60/86/401916086.db2.gz OVYXDAUJIBGZDW-SWLSCSKDSA-N 1 0 306.381 2.340 10 0 DEAERO COC(=O)[C@@H](O)C1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000135352498 401936926 /nfs/dbraw/zinc/93/69/26/401936926.db2.gz RTZQKDMHUVXJMB-LRDDRELGSA-N 1 0 307.390 2.002 10 0 DEAERO CCOc1ccc(NC(=O)CCN2CCC([NH+](C)C)CC2)cc1 ZINC000134984599 401922786 /nfs/dbraw/zinc/92/27/86/401922786.db2.gz CEMMCUPPXOVABF-UHFFFAOYSA-N 1 0 319.449 2.440 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1cccnc1N(C)C ZINC000135907464 401955284 /nfs/dbraw/zinc/95/52/84/401955284.db2.gz IYJPYYXLPSFWKQ-LLVKDONJSA-N 1 0 315.421 2.298 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc2ccccc2s1 ZINC000119592689 401960953 /nfs/dbraw/zinc/96/09/53/401960953.db2.gz LEOXZTFTGWWNJN-GFCCVEGCSA-N 1 0 319.430 2.137 10 0 DEAERO Cc1cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c(C)s1 ZINC000045745052 401961428 /nfs/dbraw/zinc/96/14/28/401961428.db2.gz PYXYXHKUHGEFPM-UHFFFAOYSA-N 1 0 316.492 2.375 10 0 DEAERO C[C@@H]1CC[C@H](CC(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)C1 ZINC000150823335 401997852 /nfs/dbraw/zinc/99/78/52/401997852.db2.gz FRYQCIMYNAWYRT-SQNIBIBYSA-N 1 0 321.509 2.441 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCc1nc2ccccc2[nH]1 ZINC000046277929 401968475 /nfs/dbraw/zinc/96/84/75/401968475.db2.gz FRKVEWLMDKSBHO-CYBMUJFWSA-N 1 0 317.437 2.135 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cc(F)ccc2F)C1 ZINC000119871192 401969183 /nfs/dbraw/zinc/96/91/83/401969183.db2.gz IRXNGSMEKMAMQP-ABAIWWIYSA-N 1 0 311.376 2.493 10 0 DEAERO CCOCCC1(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC000119922744 401971497 /nfs/dbraw/zinc/97/14/97/401971497.db2.gz HZLIPBKAHQLTTI-HNNXBMFYSA-N 1 0 311.470 2.367 10 0 DEAERO CC[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]1COc2ccccc2O1 ZINC000046704970 401971990 /nfs/dbraw/zinc/97/19/90/401971990.db2.gz DCORKMQWYRVKEN-GJZGRUSLSA-N 1 0 323.433 2.324 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)NCCc1cccnc1)c1ccccc1 ZINC000119963044 401973341 /nfs/dbraw/zinc/97/33/41/401973341.db2.gz PSTGTIFSKJYHQT-QGZVFWFLSA-N 1 0 312.417 2.226 10 0 DEAERO CC1CC[NH+](CC(=O)NCCOc2ccc(F)cc2F)CC1 ZINC000136838099 401974529 /nfs/dbraw/zinc/97/45/29/401974529.db2.gz GQAQMBGCBWZCIB-UHFFFAOYSA-N 1 0 312.360 2.192 10 0 DEAERO CC(C)c1nc([C@H]2CCCN2C(=O)[C@H]2CC23CC[NH2+]CC3)no1 ZINC000137016148 401977319 /nfs/dbraw/zinc/97/73/19/401977319.db2.gz JHPGLDVVASYHLP-CHWSQXEVSA-N 1 0 318.421 2.246 10 0 DEAERO CCOc1cccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)c1 ZINC000120677882 401998594 /nfs/dbraw/zinc/99/85/94/401998594.db2.gz RLVYEZJSSVELLJ-WBVHZDCISA-N 1 0 306.450 2.362 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC000137111504 401979184 /nfs/dbraw/zinc/97/91/84/401979184.db2.gz LBCIXODEBOHKAJ-SJORKVTESA-N 1 0 305.466 2.382 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(CN2CCOC2=O)cc1)[NH+](C)C ZINC000137116476 401979392 /nfs/dbraw/zinc/97/93/92/401979392.db2.gz 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ZINC000151850338 402061185 /nfs/dbraw/zinc/06/11/85/402061185.db2.gz HEFLJHGOXVGFRJ-GFCCVEGCSA-N 1 0 308.353 2.452 10 0 DEAERO O[C@H](COCc1ccco1)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000121826294 402053891 /nfs/dbraw/zinc/05/38/91/402053891.db2.gz MQHSADRALMVEME-GOEBONIOSA-N 1 0 305.378 2.107 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000150851327 401999935 /nfs/dbraw/zinc/99/99/35/401999935.db2.gz KIRZFUGQQBFIPC-FZMZJTMJSA-N 1 0 308.809 2.368 10 0 DEAERO COc1ccccc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000150858865 402000840 /nfs/dbraw/zinc/00/08/40/402000840.db2.gz HOGDESRXYBCZLP-ZFWWWQNUSA-N 1 0 305.422 2.223 10 0 DEAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000120801108 402002885 /nfs/dbraw/zinc/00/28/85/402002885.db2.gz OULODAFJVQYOQR-ILXRZTDVSA-N 1 0 316.511 2.462 10 0 DEAERO CC(C)C[C@H](CCO)CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120861153 402004602 /nfs/dbraw/zinc/00/46/02/402004602.db2.gz YOYNLUQJBYXUHU-OWCLPIDISA-N 1 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CVVRMHPVBQRTNQ-UHFFFAOYSA-N 1 0 320.433 2.317 10 0 DEAERO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152415351 402095562 /nfs/dbraw/zinc/09/55/62/402095562.db2.gz WSRPSTFRBZZBPM-OLZOCXBDSA-N 1 0 319.453 2.096 10 0 DEAERO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CCCn3ncnc32)CC1 ZINC000152502837 402098141 /nfs/dbraw/zinc/09/81/41/402098141.db2.gz SLGYYUCNCKDNHE-CYBMUJFWSA-N 1 0 321.425 2.102 10 0 DEAERO O=C(COc1ccc(F)cc1Cl)NCC[C@@H]1CCC[NH2+]C1 ZINC000152606457 402101937 /nfs/dbraw/zinc/10/19/37/402101937.db2.gz LJAUCPYJRYLSGG-NSHDSACASA-N 1 0 314.788 2.364 10 0 DEAERO OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000152706006 402104324 /nfs/dbraw/zinc/10/43/24/402104324.db2.gz RDPSHDJNXXXYSD-NHCUHLMSSA-N 1 0 324.468 2.497 10 0 DEAERO CCN(C(=O)CN1CCC[N@@H+](C2CC2)CC1)C1CCCCC1 ZINC000061041337 402106947 /nfs/dbraw/zinc/10/69/47/402106947.db2.gz WAJYOJXQZSAEGM-UHFFFAOYSA-N 1 0 307.482 2.338 10 0 DEAERO COc1ccccc1OCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123144331 402112833 /nfs/dbraw/zinc/11/28/33/402112833.db2.gz FPGWNHCAFYSTPK-GJZGRUSLSA-N 1 0 320.433 2.405 10 0 DEAERO COc1ccc(OC)c(CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000097359391 402122184 /nfs/dbraw/zinc/12/21/84/402122184.db2.gz VAVAIRDBQYYUMR-HNNXBMFYSA-N 1 0 322.449 2.339 10 0 DEAERO CC(=O)c1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123283079 402119569 /nfs/dbraw/zinc/11/95/69/402119569.db2.gz YUKLQFALPBYEIY-SUMWQHHRSA-N 1 0 317.433 2.242 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000122176483 402065261 /nfs/dbraw/zinc/06/52/61/402065261.db2.gz NDFAXDQPOAXOEO-ZENOOKHLSA-N 1 0 306.406 2.191 10 0 DEAERO C[C@@H](CCO)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000097441453 402125078 /nfs/dbraw/zinc/12/50/78/402125078.db2.gz QSVJRBOEMHBXPQ-WDEREUQCSA-N 1 0 322.232 2.341 10 0 DEAERO CC[C@@](C)(O)C[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000123424245 402127263 /nfs/dbraw/zinc/12/72/63/402127263.db2.gz YTTUXGPQMYBVIR-QGZVFWFLSA-N 1 0 308.397 2.053 10 0 DEAERO CC(C)[C@H](O)CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000153344861 402140568 /nfs/dbraw/zinc/14/05/68/402140568.db2.gz DTDGMTSDGOMCGI-QGZVFWFLSA-N 1 0 321.465 2.343 10 0 DEAERO O=C(C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)NCc1cccc(Cl)c1 ZINC000153026392 402122714 /nfs/dbraw/zinc/12/27/14/402122714.db2.gz BJDCVKJNBSEQSW-GDBMZVCRSA-N 1 0 322.836 2.457 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@@H]1OC ZINC000123740130 402144159 /nfs/dbraw/zinc/14/41/59/402144159.db2.gz IEZJJMMVFQGHQN-XHSDSOJGSA-N 1 0 321.465 2.236 10 0 DEAERO COCCOc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123776004 402145855 /nfs/dbraw/zinc/14/58/55/402145855.db2.gz DMLKIAKZCFRMKA-GDBMZVCRSA-N 1 0 320.433 2.267 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1O ZINC000101649931 402153109 /nfs/dbraw/zinc/15/31/09/402153109.db2.gz KEKGYWGROZHOOP-QGZVFWFLSA-N 1 0 312.413 2.224 10 0 DEAERO COC(=O)c1cccc(OCC[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000123910853 402153651 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CCC[NH+]1CCC(CNC(=O)N(CCOC)CC(F)F)CC1 ZINC000103613455 402192889 /nfs/dbraw/zinc/19/28/89/402192889.db2.gz UXUYCFAZOYVHQV-UHFFFAOYSA-N 1 0 321.412 2.032 10 0 DEAERO C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000068315682 402193036 /nfs/dbraw/zinc/19/30/36/402193036.db2.gz RXEGDMYHXKTLGL-HNNXBMFYSA-N 1 0 324.428 2.324 10 0 DEAERO C/C=C/c1ccc(OCC(=O)NCC[NH2+]CCC)c(OC)c1 ZINC000154224938 402199977 /nfs/dbraw/zinc/19/99/77/402199977.db2.gz GOGZROVPLTXQKF-GQCTYLIASA-N 1 0 306.406 2.223 10 0 DEAERO CN(C(=O)C[C@@H]1CCOc2ccccc21)[C@H]1CCC[N@H+](C)C1 ZINC000153747330 402168178 /nfs/dbraw/zinc/16/81/78/402168178.db2.gz PNKOMVWPOYMXCU-GJZGRUSLSA-N 1 0 302.418 2.495 10 0 DEAERO CCOCCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067734299 402170580 /nfs/dbraw/zinc/17/05/80/402170580.db2.gz LPKKJOWFLCHGOF-QGZVFWFLSA-N 1 0 319.449 2.377 10 0 DEAERO CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102915309 402174681 /nfs/dbraw/zinc/17/46/81/402174681.db2.gz AUROPWODEXDBAA-AWEZNQCLSA-N 1 0 304.390 2.419 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)NCC[NH2+]C(C)(C)C ZINC000153858710 402175468 /nfs/dbraw/zinc/17/54/68/402175468.db2.gz BBDRKISVELKYNS-UHFFFAOYSA-N 1 0 308.470 2.203 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106905640 402221122 /nfs/dbraw/zinc/22/11/22/402221122.db2.gz WIUKIYKPHOTIGD-SJLPKXTDSA-N 1 0 317.477 2.150 10 0 DEAERO COc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(O)c1 ZINC000107528197 402234822 /nfs/dbraw/zinc/23/48/22/402234822.db2.gz KROSIJVIPGEEET-CQSZACIVSA-N 1 0 318.417 2.491 10 0 DEAERO CC[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc2c(c1)OCCO2 ZINC000125564427 402239382 /nfs/dbraw/zinc/23/93/82/402239382.db2.gz QARRJJAZVNHKGR-MAUKXSAKSA-N 1 0 321.417 2.288 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCCc1c[nH]c2ccccc12 ZINC000107839982 402241674 /nfs/dbraw/zinc/24/16/74/402241674.db2.gz KHHWKSWCOQRRLL-HNNXBMFYSA-N 1 0 314.433 2.494 10 0 DEAERO O=C(NCc1cscn1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125703092 402246076 /nfs/dbraw/zinc/24/60/76/402246076.db2.gz XYXCXKBOLPBMPS-DOMZBBRYSA-N 1 0 320.462 2.301 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000125788114 402250522 /nfs/dbraw/zinc/25/05/22/402250522.db2.gz OACWEPYFGQQUJN-OAGGEKHMSA-N 1 0 311.470 2.220 10 0 DEAERO COc1ccc(OCCCC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1 ZINC000155313756 402251761 /nfs/dbraw/zinc/25/17/61/402251761.db2.gz HNZQDDMWGRCHSP-GASCZTMLSA-N 1 0 320.433 2.405 10 0 DEAERO Cc1ccc([C@H](CNC(=O)c2c[nH]c(=O)cc2C)[NH+](C)C)cc1 ZINC000125944272 402257743 /nfs/dbraw/zinc/25/77/43/402257743.db2.gz XCXDVGLBRQWPPE-INIZCTEOSA-N 1 0 313.401 2.024 10 0 DEAERO COc1ccc(-c2cc3c(N4CCC[C@@H]([NH3+])C4)nccn3n2)cc1 ZINC000070459277 402261358 /nfs/dbraw/zinc/26/13/58/402261358.db2.gz HHVFYTORKAPXPV-CQSZACIVSA-N 1 0 323.400 2.332 10 0 DEAERO [NH3+][C@H]1CCCN(c2nccn3nc(-c4cccc(F)c4)cc23)C1 ZINC000070459298 402261436 /nfs/dbraw/zinc/26/14/36/402261436.db2.gz JNGQKPXFIGHXOM-AWEZNQCLSA-N 1 0 311.364 2.463 10 0 DEAERO COCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862927 402210002 /nfs/dbraw/zinc/21/00/02/402210002.db2.gz BUEDXQBMHOSECH-IBGZPJMESA-N 1 0 320.477 2.400 10 0 DEAERO Cc1cnn([C@H]2CCC[N@H+](CC(=O)N3CCCCCC3)C2)c1 ZINC000105899802 402210693 /nfs/dbraw/zinc/21/06/93/402210693.db2.gz ZLSBIJYJZVTXOW-INIZCTEOSA-N 1 0 304.438 2.231 10 0 DEAERO COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2Cc2ccc(CO)cc2)c1 ZINC000225731190 402323285 /nfs/dbraw/zinc/32/32/85/402323285.db2.gz QZCKZBWTPSLQBI-IEBWSBKVSA-N 1 0 313.397 2.495 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCC(=O)c2ccccc2)[C@@H](C)C1 ZINC000155798547 402267824 /nfs/dbraw/zinc/26/78/24/402267824.db2.gz PBJGEKYDPFBUJU-HOCLYGCPSA-N 1 0 302.418 2.494 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ncc(C)s1 ZINC000176060657 402274855 /nfs/dbraw/zinc/27/48/55/402274855.db2.gz RXOKHTWPYJPVNI-QWHCGFSZSA-N 1 0 308.451 2.220 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cnc(C3CC3)nc2)CC[N@@H+]1C ZINC000176113432 402280128 /nfs/dbraw/zinc/28/01/28/402280128.db2.gz LLPCZIPXTJAAFT-FZMZJTMJSA-N 1 0 303.410 2.300 10 0 DEAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1(O)CCC1 ZINC000184709851 402293734 /nfs/dbraw/zinc/29/37/34/402293734.db2.gz MUCHJAYMPOPTID-MRXNPFEDSA-N 1 0 302.418 2.072 10 0 DEAERO Cc1cc(NC(=O)[C@H](C)N(C)CCc2ncc(C)s2)on1 ZINC000157618746 402296665 /nfs/dbraw/zinc/29/66/65/402296665.db2.gz GWVSZJUZJDLKPI-NSHDSACASA-N 1 0 308.407 2.249 10 0 DEAERO CCc1cnc(CCNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000176375578 402304353 /nfs/dbraw/zinc/30/43/53/402304353.db2.gz DNBCDBPIBARQRP-OLZOCXBDSA-N 1 0 324.494 2.420 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000222826482 402308391 /nfs/dbraw/zinc/30/83/91/402308391.db2.gz OFUOZBBBSVRTFO-JGGQBBKZSA-N 1 0 313.825 2.232 10 0 DEAERO O=C(NC1Cc2ccccc2C1)N1CCC([NH+]2CCCC2)CC1 ZINC000184930670 402309952 /nfs/dbraw/zinc/30/99/52/402309952.db2.gz GFGQLHLNDCYVBO-UHFFFAOYSA-N 1 0 313.445 2.424 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1nccn1CC(C)C ZINC000176451753 402310564 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Cc1cc(C)c(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)o1 ZINC000176567918 402320191 /nfs/dbraw/zinc/32/01/91/402320191.db2.gz XEAZWKMQOYJCNQ-CQSZACIVSA-N 1 0 306.406 2.222 10 0 DEAERO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000185277361 402340198 /nfs/dbraw/zinc/34/01/98/402340198.db2.gz OIHIMWDUHQGXAR-ZDUSSCGKSA-N 1 0 316.380 2.303 10 0 DEAERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000185331036 402343850 /nfs/dbraw/zinc/34/38/50/402343850.db2.gz GNLXTVJBWWYUSM-LBPRGKRZSA-N 1 0 300.349 2.242 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2cccs2)CC1 ZINC000176865226 402344065 /nfs/dbraw/zinc/34/40/65/402344065.db2.gz LLXOMTKBRGIAPI-AWEZNQCLSA-N 1 0 324.490 2.232 10 0 DEAERO Cc1ccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000176865095 402344306 /nfs/dbraw/zinc/34/43/06/402344306.db2.gz UJHUBBZITIKUFI-INIZCTEOSA-N 1 0 318.461 2.468 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000176890119 402346982 /nfs/dbraw/zinc/34/69/82/402346982.db2.gz 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COC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000228641928 402339074 /nfs/dbraw/zinc/33/90/74/402339074.db2.gz QIQFAJBSYNSQKS-RNCFNFMXSA-N 1 0 316.195 2.024 10 0 DEAERO COCCOc1cccc(CNC(=O)CCC2CC[NH2+]CC2)c1 ZINC000237184193 402398173 /nfs/dbraw/zinc/39/81/73/402398173.db2.gz NFAZXMIJTXPFCX-UHFFFAOYSA-N 1 0 320.433 2.108 10 0 DEAERO CN(C(=O)CSCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237210274 402399591 /nfs/dbraw/zinc/39/95/91/402399591.db2.gz GTMNNMBCLSEPNA-NNQSOWQGSA-N 1 0 305.447 2.056 10 0 DEAERO COc1ccc(O[C@@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1 ZINC000237233253 402400702 /nfs/dbraw/zinc/40/07/02/402400702.db2.gz WJIPBKNSSVPRAV-GUYCJALGSA-N 1 0 308.422 2.342 10 0 DEAERO C[C@@H]1C[N@@H+](CCCNC(=O)NCCC2=CCCC2)C[C@H](C)O1 ZINC000163446864 402449700 /nfs/dbraw/zinc/44/97/00/402449700.db2.gz DXLJGFNDJGUSDC-GASCZTMLSA-N 1 0 309.454 2.285 10 0 DEAERO C[C@H](c1ccccc1Cl)N1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000237413962 402407572 /nfs/dbraw/zinc/40/75/72/402407572.db2.gz OUUGFFMMOMRFRQ-GFCCVEGCSA-N 1 0 307.825 2.037 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCOCc1ccccc1 ZINC000177577473 402417529 /nfs/dbraw/zinc/41/75/29/402417529.db2.gz NHYMOXXCFNBWTC-QGZVFWFLSA-N 1 0 319.449 2.329 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C12CCOCC2 ZINC000186354783 402424746 /nfs/dbraw/zinc/42/47/46/402424746.db2.gz ZORFKNBHXLRAFG-RBZJEDDUSA-N 1 0 309.450 2.364 10 0 DEAERO CC(C)c1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000177680501 402426105 /nfs/dbraw/zinc/42/61/05/402426105.db2.gz JYCIADFEQMCUCJ-INIZCTEOSA-N 1 0 315.417 2.055 10 0 DEAERO COC(=O)c1coc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000186376691 402426649 /nfs/dbraw/zinc/42/66/49/402426649.db2.gz DSJKZUZMUOQQPA-LBPRGKRZSA-N 1 0 308.378 2.061 10 0 DEAERO O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000237964273 402428596 /nfs/dbraw/zinc/42/85/96/402428596.db2.gz RIIBCTFGNRKELP-HZPDHXFCSA-N 1 0 304.438 2.263 10 0 DEAERO CCCC[C@H](C[NH3+])NC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000162823123 402432726 /nfs/dbraw/zinc/43/27/26/402432726.db2.gz WWCGOMXEQLBMRN-CQSZACIVSA-N 1 0 300.406 2.428 10 0 DEAERO O=C(CSc1ccc2c(c1)CCC2)NC[C@H]1CCC[NH2+]C1 ZINC000238035708 402433475 /nfs/dbraw/zinc/43/34/75/402433475.db2.gz SXRHBXVWDDEXGF-ZDUSSCGKSA-N 1 0 304.459 2.383 10 0 DEAERO [NH3+]Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000186469456 402434046 /nfs/dbraw/zinc/43/40/46/402434046.db2.gz VTKMEXOCQQOJRH-QGZVFWFLSA-N 1 0 312.369 2.065 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC000177765689 402434073 /nfs/dbraw/zinc/43/40/73/402434073.db2.gz CBBNCMSCDBBGTC-ZDUSSCGKSA-N 1 0 300.406 2.438 10 0 DEAERO O=C(c1c(Cl)nc2ccccn21)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186505161 402437411 /nfs/dbraw/zinc/43/74/11/402437411.db2.gz XHHRETXQWBDLJS-LLVKDONJSA-N 1 0 318.808 2.344 10 0 DEAERO O=C(c1cc(F)cc(Cl)c1[O-])N1CCN2CCCC[C@H]2C1 ZINC000163049403 402440346 /nfs/dbraw/zinc/44/03/46/402440346.db2.gz AEVMTPPYNIFVQX-NSHDSACASA-N 1 0 312.772 2.495 10 0 DEAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000163077978 402440779 /nfs/dbraw/zinc/44/07/79/402440779.db2.gz ZRQQVLOYMKNNNE-KBPBESRZSA-N 1 0 315.421 2.079 10 0 DEAERO CC(C)NC(=O)CC[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000186560179 402441838 /nfs/dbraw/zinc/44/18/38/402441838.db2.gz JFPRHQULPGPKBP-UHFFFAOYSA-N 1 0 302.422 2.313 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccco2)C12CCOCC2 ZINC000186556995 402441853 /nfs/dbraw/zinc/44/18/53/402441853.db2.gz XBPXTALGBPITMZ-NUEKZKHPSA-N 1 0 309.406 2.267 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cc(F)ccc1OC ZINC000186573850 402443534 /nfs/dbraw/zinc/44/35/34/402443534.db2.gz NXPIXLSQEKPUEO-JKSUJKDBSA-N 1 0 320.408 2.462 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000163377180 402447729 /nfs/dbraw/zinc/44/77/29/402447729.db2.gz QVFODUDQHUCQLX-HOCLYGCPSA-N 1 0 320.433 2.219 10 0 DEAERO CC[C@H](C[N@H+](CC)C[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000186612577 402447786 /nfs/dbraw/zinc/44/77/86/402447786.db2.gz 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CC(C)(C)c1nnsc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000191953039 402700523 /nfs/dbraw/zinc/70/05/23/402700523.db2.gz WJSQEUKZLIODOQ-UHFFFAOYSA-N 1 0 322.478 2.440 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCOCC1CC1 ZINC000173538363 402701896 /nfs/dbraw/zinc/70/18/96/402701896.db2.gz LYAPZCIOCDAPSP-HZPDHXFCSA-N 1 0 309.454 2.071 10 0 DEAERO Cn1nccc1C1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000191978605 402701974 /nfs/dbraw/zinc/70/19/74/402701974.db2.gz LGVAICYCWSCRHY-CQSZACIVSA-N 1 0 303.406 2.085 10 0 DEAERO Cn1cc(CN2CCO[C@@H](C[NH+](C)C)C2)c(C2CCCCC2)n1 ZINC000182933626 402727786 /nfs/dbraw/zinc/72/77/86/402727786.db2.gz QXWAJXCDLZVGJS-KRWDZBQOSA-N 1 0 320.481 2.230 10 0 DEAERO C[C@H](c1ccco1)N(C)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262765718 402730482 /nfs/dbraw/zinc/73/04/82/402730482.db2.gz LVVCOAKNIDXKRF-OLZOCXBDSA-N 1 0 302.378 2.234 10 0 DEAERO COc1ccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cn1 ZINC000192464027 402730800 /nfs/dbraw/zinc/73/08/00/402730800.db2.gz YBVQSNPBZYSPMK-UHFFFAOYSA-N 1 0 315.398 2.293 10 0 DEAERO Cc1cccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000174188113 402730966 /nfs/dbraw/zinc/73/09/66/402730966.db2.gz UCRHLAFBQPTUMD-HNNXBMFYSA-N 1 0 302.422 2.017 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(C(F)(F)F)CC2)C1 ZINC000174232500 402732947 /nfs/dbraw/zinc/73/29/47/402732947.db2.gz JXCOYTXSZOQQOF-GFCCVEGCSA-N 1 0 307.360 2.455 10 0 DEAERO C[C@H]([NH2+]CC(=O)N(C)CCCOc1ccccc1)[C@H]1CCCO1 ZINC000183124611 402741025 /nfs/dbraw/zinc/74/10/25/402741025.db2.gz VCPRSCAAYOHKKK-DOTOQJQBSA-N 1 0 320.433 2.071 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cnn(CC3CC3)c2)CC[N@@H+]1C ZINC000174452726 402741757 /nfs/dbraw/zinc/74/17/57/402741757.db2.gz ZEQGSBPFACNRPU-IUODEOHRSA-N 1 0 305.426 2.240 10 0 DEAERO CC(C)OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000183143777 402743040 /nfs/dbraw/zinc/74/30/40/402743040.db2.gz XNXLOJTVXLMKPQ-CABCVRRESA-N 1 0 303.406 2.309 10 0 DEAERO C[C@H](CC(=O)c1ccco1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183606893 402781085 /nfs/dbraw/zinc/78/10/85/402781085.db2.gz FTOFGTSOVBQHRB-LLVKDONJSA-N 1 0 301.346 2.132 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCCOc1ccc(Cl)cn1 ZINC000183608307 402781093 /nfs/dbraw/zinc/78/10/93/402781093.db2.gz CIAMCKZHQOFELF-UHFFFAOYSA-N 1 0 320.780 2.005 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2C[C@@]23CCCc2ccccc23)n1 ZINC000263228124 402748010 /nfs/dbraw/zinc/74/80/10/402748010.db2.gz NCCNIDAIPYIBES-FRQCXROJSA-N 1 0 324.428 2.407 10 0 DEAERO CC[NH+](CC)CCCC1CCN(Cc2nc(N(C)C)no2)CC1 ZINC000192792466 402750343 /nfs/dbraw/zinc/75/03/43/402750343.db2.gz BVXZQPCVNLXMSY-UHFFFAOYSA-N 1 0 323.485 2.470 10 0 DEAERO COc1cccc([C@H]2[C@@H](NC(=O)CSC)CC[N@@H+]2C2CC2)c1 ZINC000183250690 402750618 /nfs/dbraw/zinc/75/06/18/402750618.db2.gz XEEGNHVPJHJBKB-RDJZCZTQSA-N 1 0 320.458 2.452 10 0 DEAERO COCCOc1cccc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000263260562 402751682 /nfs/dbraw/zinc/75/16/82/402751682.db2.gz QWAYXSDGKOLVHT-SJLPKXTDSA-N 1 0 320.433 2.236 10 0 DEAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1c(OC(F)F)ccc2ccccc21 ZINC000263273191 402752558 /nfs/dbraw/zinc/75/25/58/402752558.db2.gz SLJKKQSPFRFOFH-WFASDCNBSA-N 1 0 322.355 2.111 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2csc3c2CCCC3)n1 ZINC000263282428 402753835 /nfs/dbraw/zinc/75/38/35/402753835.db2.gz UMWGUSVPYACQIT-LBPRGKRZSA-N 1 0 304.419 2.253 10 0 DEAERO Cc1ccccc1NC(=O)CC[NH+]1CCC(n2cncn2)CC1 ZINC000174764903 402756390 /nfs/dbraw/zinc/75/63/90/402756390.db2.gz ZEEVGERAVHISBY-UHFFFAOYSA-N 1 0 313.405 2.252 10 0 DEAERO Cc1ccc(N2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)nc1 ZINC000194042151 402781917 /nfs/dbraw/zinc/78/19/17/402781917.db2.gz VGKRZJHJXIBLMC-HUUCEWRRSA-N 1 0 317.433 2.242 10 0 DEAERO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)C2CCCC2)CC1 ZINC000174920236 402763065 /nfs/dbraw/zinc/76/30/65/402763065.db2.gz UKZHCWZZGOTSNF-CVEARBPZSA-N 1 0 324.513 2.138 10 0 DEAERO CC(C)[N@H+](CC1CCC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000193215144 402768895 /nfs/dbraw/zinc/76/88/95/402768895.db2.gz UTYSUZRQTRLYGX-OAHLLOKOSA-N 1 0 302.484 2.169 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccccc1F ZINC000175009449 402771217 /nfs/dbraw/zinc/77/12/17/402771217.db2.gz CQJXZEURKAMKBO-ZIAGYGMSSA-N 1 0 306.381 2.290 10 0 DEAERO Cc1cc(C)cc([C@H]2CC[N@H+](CCCC(=O)NC(N)=O)C2)c1 ZINC000183491448 402771395 /nfs/dbraw/zinc/77/13/95/402771395.db2.gz SUSPNZXQRZCDDJ-AWEZNQCLSA-N 1 0 303.406 2.068 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(OC)cc1 ZINC000175031824 402773054 /nfs/dbraw/zinc/77/30/54/402773054.db2.gz NDYQAOAWRZSEGA-HZPDHXFCSA-N 1 0 317.433 2.192 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccoc2)no1 ZINC000175044341 402774395 /nfs/dbraw/zinc/77/43/95/402774395.db2.gz NGGJEIIUPXBHQC-UONOGXRCSA-N 1 0 302.378 2.388 10 0 DEAERO COC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000193677655 402775267 /nfs/dbraw/zinc/77/52/67/402775267.db2.gz OUBOCTUXUDMSDM-RISCZKNCSA-N 1 0 319.854 2.298 10 0 DEAERO CNC(=O)[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000175221390 402789496 /nfs/dbraw/zinc/78/94/96/402789496.db2.gz DDTBHEDSBAWQKZ-CYBMUJFWSA-N 1 0 317.364 2.439 10 0 DEAERO Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195329380 402842051 /nfs/dbraw/zinc/84/20/51/402842051.db2.gz OAADKGVVGNUVSG-NSHDSACASA-N 1 0 313.323 2.329 10 0 DEAERO CCc1nnc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)s1 ZINC000175302057 402795106 /nfs/dbraw/zinc/79/51/06/402795106.db2.gz DYBLJJULYFMRMC-QWRGUYRKSA-N 1 0 309.439 2.191 10 0 DEAERO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000175341058 402798487 /nfs/dbraw/zinc/79/84/87/402798487.db2.gz IYXAFDKRPGOFHX-KEYYUXOJSA-N 1 0 301.434 2.454 10 0 DEAERO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000183823133 402799990 /nfs/dbraw/zinc/79/99/90/402799990.db2.gz AQRHLQLAVVAWGI-KBPBESRZSA-N 1 0 322.453 2.099 10 0 DEAERO CC1CC[NH+](CCN2CCCN(c3ccccn3)CC2)CC1 ZINC000183832237 402800657 /nfs/dbraw/zinc/80/06/57/402800657.db2.gz ZVQOHLGHXYFGJH-UHFFFAOYSA-N 1 0 302.466 2.326 10 0 DEAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)NC(=O)NC(C)(C)C ZINC000194516319 402800838 /nfs/dbraw/zinc/80/08/38/402800838.db2.gz XPSJKGMQSQQNKO-NSHDSACASA-N 1 0 318.421 2.057 10 0 DEAERO CCCO[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000175368438 402800856 /nfs/dbraw/zinc/80/08/56/402800856.db2.gz BPCWJPTUDPLJTD-HZPDHXFCSA-N 1 0 311.470 2.461 10 0 DEAERO COc1ccccc1[C@@H](O)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000175375421 402801241 /nfs/dbraw/zinc/80/12/41/402801241.db2.gz URSXZPMSRQJXNU-ZBFHGGJFSA-N 1 0 320.433 2.109 10 0 DEAERO CCOc1ccc2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)[nH]c2c1 ZINC000195335041 402842569 /nfs/dbraw/zinc/84/25/69/402842569.db2.gz USULPPQIERSTQA-AWEZNQCLSA-N 1 0 313.401 2.487 10 0 DEAERO CCOC(=O)CN[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000194582086 402803714 /nfs/dbraw/zinc/80/37/14/402803714.db2.gz MRDFTLBJYCTKJF-SJLPKXTDSA-N 1 0 318.417 2.126 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000183970500 402809394 /nfs/dbraw/zinc/80/93/94/402809394.db2.gz OUFRLKYNFBKYGC-ZDUSSCGKSA-N 1 0 303.406 2.369 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000175524677 402814803 /nfs/dbraw/zinc/81/48/03/402814803.db2.gz VJMVXEWCNGCWLJ-MRXNPFEDSA-N 1 0 321.469 2.097 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ncccc2Br)C1 ZINC000194893931 402821044 /nfs/dbraw/zinc/82/10/44/402821044.db2.gz YDWFYXGKLCOKSU-SNVBAGLBSA-N 1 0 312.211 2.058 10 0 DEAERO CN(C)c1ccncc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000184205480 402826400 /nfs/dbraw/zinc/82/64/00/402826400.db2.gz YAJXNHXTJXCUFB-WMZOPIPTSA-N 1 0 324.428 2.323 10 0 DEAERO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000195024977 402827343 /nfs/dbraw/zinc/82/73/43/402827343.db2.gz IQUUBMDWZPDYML-WCQYABFASA-N 1 0 306.431 2.335 10 0 DEAERO O=C(COc1ccc(F)cc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195061822 402829975 /nfs/dbraw/zinc/82/99/75/402829975.db2.gz FRPKBSIASFBXAG-ZDUSSCGKSA-N 1 0 310.344 2.040 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([S@](C)=O)cc2)CC[N@@H+]1C ZINC000175834977 402836890 /nfs/dbraw/zinc/83/68/90/402836890.db2.gz AYBHQKOGDRAZCM-BWFKNJDFSA-N 1 0 323.462 2.370 10 0 DEAERO NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000183634955 402783936 /nfs/dbraw/zinc/78/39/36/402783936.db2.gz NPDOBMPNFGCWJD-VNQPRFMTSA-N 1 0 322.836 2.237 10 0 DEAERO Cc1noc(C)c1C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175155268 402784084 /nfs/dbraw/zinc/78/40/84/402784084.db2.gz RTLMGXQKMNTGHL-ZOWXZIJZSA-N 1 0 322.453 2.347 10 0 DEAERO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CCCO1 ZINC000194131240 402784868 /nfs/dbraw/zinc/78/48/68/402784868.db2.gz YOCFKCDWJGCZFR-ZBFHGGJFSA-N 1 0 309.454 2.071 10 0 DEAERO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccccc1C(C)C)C(C)C ZINC000183647356 402785491 /nfs/dbraw/zinc/78/54/91/402785491.db2.gz CEEBTJRWRRYHJI-INIZCTEOSA-N 1 0 305.422 2.109 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C(C)C)C1 ZINC000194157792 402786459 /nfs/dbraw/zinc/78/64/59/402786459.db2.gz HSZXZGPBGRWTHW-AWEZNQCLSA-N 1 0 317.433 2.349 10 0 DEAERO C[C@@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)[C@H]2CCCC[C@H]12 ZINC000183673433 402787670 /nfs/dbraw/zinc/78/76/70/402787670.db2.gz MKTJZWKOZSGDCL-ZACQAIPSSA-N 1 0 323.481 2.319 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N(C)C(C)C ZINC000175202409 402787709 /nfs/dbraw/zinc/78/77/09/402787709.db2.gz ANBWKRPZQVYKCN-GJZGRUSLSA-N 1 0 306.454 2.429 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000175202460 402787804 /nfs/dbraw/zinc/78/78/04/402787804.db2.gz MAXACAXGTWJAQV-HUUCEWRRSA-N 1 0 304.438 2.092 10 0 DEAERO CCC[C@H](C)CC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000176003896 402847239 /nfs/dbraw/zinc/84/72/39/402847239.db2.gz KKJAMYVOKIQCLD-DLBZAZTESA-N 1 0 309.498 2.441 10 0 DEAERO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503233 402847542 /nfs/dbraw/zinc/84/75/42/402847542.db2.gz BOJHWNQCULTTEG-AWEZNQCLSA-N 1 0 318.465 2.437 10 0 DEAERO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506361 402848410 /nfs/dbraw/zinc/84/84/10/402848410.db2.gz NWDWZNXCWNHLCI-CQSZACIVSA-N 1 0 304.438 2.236 10 0 DEAERO CC/C=C/CC[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000184512807 402848488 /nfs/dbraw/zinc/84/84/88/402848488.db2.gz SPQKAZZIIIRJBR-DWTRPJMMSA-N 1 0 307.482 2.408 10 0 DEAERO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515883 402848716 /nfs/dbraw/zinc/84/87/16/402848716.db2.gz FCUKZMQSGUBTEO-HUUCEWRRSA-N 1 0 304.438 2.120 10 0 DEAERO FC(F)(F)COCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195516004 402849031 /nfs/dbraw/zinc/84/90/31/402849031.db2.gz KBMWOGHELXPDOR-LBPRGKRZSA-N 1 0 303.328 2.394 10 0 DEAERO CC/C=C/CC[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000184528695 402849174 /nfs/dbraw/zinc/84/91/74/402849174.db2.gz INJBLHGWOKPQOF-OAJJDEHYSA-N 1 0 318.461 2.400 10 0 DEAERO CC(=O)c1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000265947326 402964561 /nfs/dbraw/zinc/96/45/61/402964561.db2.gz KBUNWJKECHIQAZ-DYVFJYSZSA-N 1 0 302.418 2.373 10 0 DEAERO Cc1ccc2ncnc(NC[C@@H](C)C[NH+]3CCOCC3)c2c1 ZINC000265624457 402934924 /nfs/dbraw/zinc/93/49/24/402934924.db2.gz YOWGQALVBMZXNV-CQSZACIVSA-N 1 0 300.406 2.318 10 0 DEAERO c1cncc(-c2nc3c(c(N4CC[NH+](C5CC5)CC4)n2)CCC3)c1 ZINC000267012122 403007932 /nfs/dbraw/zinc/00/79/32/403007932.db2.gz GUWHJGQPPOAVQH-UHFFFAOYSA-N 1 0 321.428 2.312 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2c2ccc[nH]2)C[N@@H+]1C1CC1 ZINC000267912125 403041098 /nfs/dbraw/zinc/04/10/98/403041098.db2.gz ZYAXVKZIHLWZSC-IOASZLSFSA-N 1 0 302.422 2.486 10 0 DEAERO O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000275574628 403106851 /nfs/dbraw/zinc/10/68/51/403106851.db2.gz OPBMSFWPSLHFSW-ZDUSSCGKSA-N 1 0 308.385 2.489 10 0 DEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000282262645 403137543 /nfs/dbraw/zinc/13/75/43/403137543.db2.gz HCIXSCSNBCVYAX-PRHODGIISA-N 1 0 315.186 2.345 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000277544896 403229418 /nfs/dbraw/zinc/22/94/18/403229418.db2.gz SHOGXOXSWKBXRO-SLEUVZQESA-N 1 0 304.390 2.231 10 0 DEAERO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cn[nH]c1 ZINC000270398557 403187475 /nfs/dbraw/zinc/18/74/75/403187475.db2.gz YWEBAKJZEMMFIK-ZFWWWQNUSA-N 1 0 305.426 2.131 10 0 DEAERO c1ccc(COCCC[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285440101 403296866 /nfs/dbraw/zinc/29/68/66/403296866.db2.gz XLWBMDISMXEHNL-SFHVURJKSA-N 1 0 305.418 2.475 10 0 DEAERO Cc1ccnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000284915336 403273196 /nfs/dbraw/zinc/27/31/96/403273196.db2.gz PHKDHSRLYKDPAO-GOEBONIOSA-N 1 0 314.437 2.038 10 0 DEAERO C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cn[nH]c1 ZINC000285084458 403277657 /nfs/dbraw/zinc/27/76/57/403277657.db2.gz JSWBJIXJABRAMI-MAUKXSAKSA-N 1 0 314.433 2.351 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000331181803 403347408 /nfs/dbraw/zinc/34/74/08/403347408.db2.gz RMRCKBQXLVBOBQ-CQSZACIVSA-N 1 0 317.433 2.274 10 0 DEAERO c1c(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)nc2ncccn12 ZINC000298454014 403385288 /nfs/dbraw/zinc/38/52/88/403385288.db2.gz OBCYGGSUFNHKJV-HNNXBMFYSA-N 1 0 307.401 2.345 10 0 DEAERO O[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000345754809 403469979 /nfs/dbraw/zinc/46/99/79/403469979.db2.gz AUSRXBFPPFEYTL-FGTMMUONSA-N 1 0 317.429 2.026 10 0 DEAERO CC(=O)c1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)n(C)c1 ZINC000343164484 403483951 /nfs/dbraw/zinc/48/39/51/403483951.db2.gz LAMZOHRIKQPCHE-BETUJISGSA-N 1 0 305.422 2.220 10 0 DEAERO C=Cc1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)cc1 ZINC000293895737 403592977 /nfs/dbraw/zinc/59/29/77/403592977.db2.gz MEOBZEZMUBHUHB-DLBZAZTESA-N 1 0 300.402 2.265 10 0 DEAERO COc1ccccc1C[NH2+]C[C@H]1CCO[C@H]1c1ccnn1C ZINC000343384841 403563095 /nfs/dbraw/zinc/56/30/95/403563095.db2.gz OVBYVJMHJDJBHC-RHSMWYFYSA-N 1 0 301.390 2.296 10 0 DEAERO CCC[C@@H]1C[C@@H]1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000332834367 403622998 /nfs/dbraw/zinc/62/29/98/403622998.db2.gz HINXMUQONVFYLE-IWCQGFGOSA-N 1 0 323.481 2.242 10 0 DEAERO CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333128744 403673023 /nfs/dbraw/zinc/67/30/23/403673023.db2.gz BKSRSVZGGGJQBW-LSDHHAIUSA-N 1 0 323.481 2.365 10 0 DEAERO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCc2occc2C1 ZINC000333510252 403769810 /nfs/dbraw/zinc/76/98/10/403769810.db2.gz IZVLYBWJJYKHGO-BPLDGKMQSA-N 1 0 303.406 2.126 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000333278818 403713719 /nfs/dbraw/zinc/71/37/19/403713719.db2.gz HFCIIWRCFUGAAF-XPKDYRNWSA-N 1 0 303.406 2.310 10 0 DEAERO CC(C)c1cc(N[C@@H]2CCC[C@@H]2O)nc(N[C@@H]2CCC[C@@H]2O)[nH+]1 ZINC000302777847 403725367 /nfs/dbraw/zinc/72/53/67/403725367.db2.gz PRJBYCGVJAGKDY-UXOAXIEHSA-N 1 0 320.437 2.251 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)c2ccccc2O1 ZINC000333333105 403727034 /nfs/dbraw/zinc/72/70/34/403727034.db2.gz WOHPEUAWRDXGRM-UKRRQHHQSA-N 1 0 315.417 2.436 10 0 DEAERO O=C(Nc1nc(C2CCOCC2)cs1)N[C@H]1CCCC[NH2+]C1 ZINC000333340326 403728493 /nfs/dbraw/zinc/72/84/93/403728493.db2.gz POLALKOLFITLHE-LBPRGKRZSA-N 1 0 324.450 2.301 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000333563892 403781352 /nfs/dbraw/zinc/78/13/52/403781352.db2.gz LROHCYHHBOYNIR-KFWWJZLASA-N 1 0 309.454 2.166 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)C[C@@H]1[NH3+] ZINC000333587581 403785873 /nfs/dbraw/zinc/78/58/73/403785873.db2.gz OFFJEAKVGNUNRG-NKZPBKNFSA-N 1 0 309.360 2.331 10 0 DEAERO CC(=O)[C@](C)(O)C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000347743566 403839088 /nfs/dbraw/zinc/83/90/88/403839088.db2.gz GGPUXLQULUNSCW-CYBMUJFWSA-N 1 0 305.296 2.357 10 0 DEAERO CC1(C)Cc2occc2[C@@H]([NH2+][C@H]2CCc3nnnn3CC2)C1 ZINC000333765902 403851895 /nfs/dbraw/zinc/85/18/95/403851895.db2.gz QFFJKPNRBMMXSV-AAEUAGOBSA-N 1 0 301.394 2.274 10 0 DEAERO CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CCc3nnnn3CC2)C1 ZINC000333765909 403851933 /nfs/dbraw/zinc/85/19/33/403851933.db2.gz QFFJKPNRBMMXSV-YPMHNXCESA-N 1 0 301.394 2.274 10 0 DEAERO CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C12CCCC2 ZINC000333800475 403865333 /nfs/dbraw/zinc/86/53/33/403865333.db2.gz HRZUCIZXGCOAHW-YHUYYLMFSA-N 1 0 323.481 2.364 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000295366564 403884412 /nfs/dbraw/zinc/88/44/12/403884412.db2.gz ZOLGPKRSWHLLAA-ABAIWWIYSA-N 1 0 304.390 2.373 10 0 DEAERO C[C@@H]1CC(C[NH2+]Cc2c(Br)cnn2C)C[C@@H](C)O1 ZINC000341489047 403995292 /nfs/dbraw/zinc/99/52/92/403995292.db2.gz QDMSTOJVYUZNOM-NXEZZACHSA-N 1 0 316.243 2.476 10 0 DEAERO OCCC1(C[NH2+]Cc2cccc(O)c2Br)CC1 ZINC000315240321 404009108 /nfs/dbraw/zinc/00/91/08/404009108.db2.gz TXUAYBREGNTZPF-UHFFFAOYSA-N 1 0 300.196 2.407 10 0 DEAERO Cn1ccnc(N2CCC[C@@H]([NH2+]C/C=C\c3ccccc3)C2)c1=O ZINC000337542136 404086261 /nfs/dbraw/zinc/08/62/61/404086261.db2.gz ZPLZLTIRSLDLOI-VWTAQGJOSA-N 1 0 324.428 2.052 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000341655833 404093422 /nfs/dbraw/zinc/09/34/22/404093422.db2.gz XREPMWAOTGVTKL-MZBWOGCUSA-N 1 0 323.481 2.194 10 0 DEAERO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3cc[nH]n3)o1)C[C@@H](C)O2 ZINC000369294927 404036857 /nfs/dbraw/zinc/03/68/57/404036857.db2.gz UAJUBAFGZBFNRM-IIYDPXPESA-N 1 0 317.389 2.438 10 0 DEAERO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329035850 404209262 /nfs/dbraw/zinc/20/92/62/404209262.db2.gz RDFFMVQHKCXSFN-ZCTGUTNYSA-N 1 0 302.422 2.003 10 0 DEAERO CC[C@@H](C(=O)N1CCC(Nc2nc(C)cs2)CC1)[NH+](C)C ZINC000364284844 404334080 /nfs/dbraw/zinc/33/40/80/404334080.db2.gz XNAIVINBNAAZHG-ZDUSSCGKSA-N 1 0 310.467 2.195 10 0 DEAERO C[C@@H]1CN(Cc2ncc(C3CC3)o2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370149760 404350571 /nfs/dbraw/zinc/35/05/71/404350571.db2.gz POUVJGJPQXWDOI-ZBFHGGJFSA-N 1 0 318.465 2.010 10 0 DEAERO Cc1cccc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)n1 ZINC000329564590 404377443 /nfs/dbraw/zinc/37/74/43/404377443.db2.gz HAHCRVXFXDCPRK-CZUORRHYSA-N 1 0 300.362 2.366 10 0 DEAERO CC(C)c1noc([C@H](C)N2CC[C@@H](N3CCOCC3)[C@H]2C)n1 ZINC000329782899 404450237 /nfs/dbraw/zinc/45/02/37/404450237.db2.gz ODWJHKPLHKGDQW-HZSPNIEDSA-N 1 0 308.426 2.049 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)Nc2cn(C)nc2C2CC2)CC[N@@H+]1C ZINC000292018775 404630076 /nfs/dbraw/zinc/63/00/76/404630076.db2.gz JMJRKMYSSBWNSP-WCQYABFASA-N 1 0 305.426 2.244 10 0 DEAERO CC1(C)CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000366138752 404763040 /nfs/dbraw/zinc/76/30/40/404763040.db2.gz QYUKYKJZHRUYOB-OAGGEKHMSA-N 1 0 308.466 2.260 10 0 DEAERO C[C@@H]1C[N@H+](CCCNC(=O)N2CCCC23CCC3)CCCO1 ZINC000365805614 404724432 /nfs/dbraw/zinc/72/44/32/404724432.db2.gz MEOAMCBITRLBFB-OAHLLOKOSA-N 1 0 309.454 2.215 10 0 DEAERO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ncc(C2CC2)o1 ZINC000365819409 404725952 /nfs/dbraw/zinc/72/59/52/404725952.db2.gz JOOOUYHLFPSTDV-ZDUSSCGKSA-N 1 0 305.422 2.237 10 0 DEAERO CC(=O)N(Cc1ccc(NC(=O)N[C@H](C)[C@H](C)[NH3+])cc1)C(C)C ZINC000415194264 404825171 /nfs/dbraw/zinc/82/51/71/404825171.db2.gz MTVPWFWVIMAXRO-QWHCGFSZSA-N 1 0 320.437 2.301 10 0 DEAERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2)CC12COC2 ZINC000451141770 404879630 /nfs/dbraw/zinc/87/96/30/404879630.db2.gz VZYSQZPURXZUNX-WFASDCNBSA-N 1 0 307.365 2.398 10 0 DEAERO CN(CCN1CCOC(C)(C)C1)C(=O)N[C@H]1CCC12CCCC2 ZINC000434422288 404895263 /nfs/dbraw/zinc/89/52/63/404895263.db2.gz QQLBXGGRTWGEQT-HNNXBMFYSA-N 1 0 323.481 2.461 10 0 DEAERO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H]1[NH3+] ZINC000423955235 404945618 /nfs/dbraw/zinc/94/56/18/404945618.db2.gz ORFYOSSVZJKVRY-MFKMUULPSA-N 1 0 323.234 2.286 10 0 DEAERO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ncccc1N ZINC000379664771 405027756 /nfs/dbraw/zinc/02/77/56/405027756.db2.gz QHMOCJDANYAANH-UHFFFAOYSA-N 1 0 312.417 2.304 10 0 DEAERO Brc1sccc1C[NH2+]CCCN1CCOCC1 ZINC000388900923 405036045 /nfs/dbraw/zinc/03/60/45/405036045.db2.gz UXYDISUAIZEIFH-UHFFFAOYSA-N 1 0 319.268 2.323 10 0 DEAERO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccsc2Br)C1 ZINC000388999699 405036512 /nfs/dbraw/zinc/03/65/12/405036512.db2.gz OSBJWPILBKGZGY-GFCCVEGCSA-N 1 0 317.252 2.469 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)CC(=O)c2ccccc2F)C1 ZINC000361364072 405040482 /nfs/dbraw/zinc/04/04/82/405040482.db2.gz ABSLJZCCSLYAJJ-UONOGXRCSA-N 1 0 320.408 2.493 10 0 DEAERO CN(CC1CC1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000361379328 405046590 /nfs/dbraw/zinc/04/65/90/405046590.db2.gz USFOEQNRRUFAOF-GVDBMIGSSA-N 1 0 308.466 2.260 10 0 DEAERO Cc1cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)on1 ZINC000390702591 405047520 /nfs/dbraw/zinc/04/75/20/405047520.db2.gz FJJGQNSVBHFOSM-SFHVURJKSA-N 1 0 315.417 2.364 10 0 DEAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@H](O)C2(C)C)cc1 ZINC000361426066 405070373 /nfs/dbraw/zinc/07/03/73/405070373.db2.gz LBOCXZVXSDJELO-HNNXBMFYSA-N 1 0 304.390 2.063 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000361456535 405082041 /nfs/dbraw/zinc/08/20/41/405082041.db2.gz IDPQZKAXCQELFX-WBVHZDCISA-N 1 0 318.465 2.312 10 0 DEAERO Cn1c2ccc(C[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)cc2oc1=O ZINC000408066785 405103334 /nfs/dbraw/zinc/10/33/34/405103334.db2.gz CRZWQEHNZXPKRU-KBXCAEBGSA-N 1 0 316.401 2.259 10 0 DEAERO COC[C@H]1CN(Cc2ccccc2C(=O)N(C)C)CC(C)(C)O1 ZINC000418045917 405111002 /nfs/dbraw/zinc/11/10/02/405111002.db2.gz CEWQTJJVMQEOKN-OAHLLOKOSA-N 1 0 320.433 2.014 10 0 DEAERO CN(CC1CC1)C(=O)C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452054629 405144486 /nfs/dbraw/zinc/14/44/86/405144486.db2.gz ABWDJNMNCAETBV-INIZCTEOSA-N 1 0 322.474 2.410 10 0 DEAERO CC(C)[NH2+]C1CCN(C(=O)NCC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000408258434 405154847 /nfs/dbraw/zinc/15/48/47/405154847.db2.gz WWVOKHMKFSHSJU-ZIAGYGMSSA-N 1 0 311.470 2.362 10 0 DEAERO CC(C)[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CC[N@@H+]1C ZINC000408355534 405184670 /nfs/dbraw/zinc/18/46/70/405184670.db2.gz AOEUXRRGASHAGB-INIZCTEOSA-N 1 0 317.433 2.078 10 0 DEAERO COC(=O)[C@@H](C)N(Cc1ccc(-n2cncn2)cc1)C1CCC1 ZINC000361659653 405187043 /nfs/dbraw/zinc/18/70/43/405187043.db2.gz IHGDCKIOJRSZFT-CYBMUJFWSA-N 1 0 314.389 2.183 10 0 DEAERO C[N@H+](CC[C@H]1CCOC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000438118807 405232874 /nfs/dbraw/zinc/23/28/74/405232874.db2.gz YBOWCKZCUXYVHL-XJKSGUPXSA-N 1 0 306.381 2.289 10 0 DEAERO c1nc(-c2ccncc2)sc1C[NH2+]CCCN1CCOCC1 ZINC000440348767 405309636 /nfs/dbraw/zinc/30/96/36/405309636.db2.gz XYHJZABFJITWKI-UHFFFAOYSA-N 1 0 318.446 2.017 10 0 DEAERO C[N@H+](CCCO)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000440963015 405332742 /nfs/dbraw/zinc/33/27/42/405332742.db2.gz LKRWDEMZDQEDOE-SFHVURJKSA-N 1 0 304.434 2.348 10 0 DEAERO CCc1noc(C)c1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000454504159 405354931 /nfs/dbraw/zinc/35/49/31/405354931.db2.gz JIBIYUPOHLFICL-QWHCGFSZSA-N 1 0 322.453 2.465 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](Nc2ccc(I)cn2)C1 ZINC000420277198 405305993 /nfs/dbraw/zinc/30/59/93/405305993.db2.gz PZLCSUJOSJMHJO-WCBMZHEXSA-N 1 0 317.174 2.226 10 0 DEAERO CC(=O)c1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)nc1 ZINC000455153425 405381549 /nfs/dbraw/zinc/38/15/49/405381549.db2.gz VXJYVIZKLMCMOU-HNNXBMFYSA-N 1 0 316.405 2.376 10 0 DEAERO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+]1CC[C@H](C(C)C)C1 ZINC000446719608 405390302 /nfs/dbraw/zinc/39/03/02/405390302.db2.gz JAJCNOLMPYPTQM-ROUUACIJSA-N 1 0 316.445 2.281 10 0 DEAERO Cc1nn(C)cc1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000448588583 405423614 /nfs/dbraw/zinc/42/36/14/405423614.db2.gz CSCVQBPBIBFPRX-UHFFFAOYSA-N 1 0 306.454 2.042 10 0 DEAERO CN(CC[NH+]1CCCC1)C(=O)c1cccc(C(F)(F)F)n1 ZINC000448904771 405461636 /nfs/dbraw/zinc/46/16/36/405461636.db2.gz UKSDQFBTKSMJDO-UHFFFAOYSA-N 1 0 301.312 2.268 10 0 DEAERO COCCC[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1ccccn1)C2 ZINC000063527355 292350677 /nfs/dbraw/zinc/35/06/77/292350677.db2.gz WQYCYTCUXMVREU-SFHVURJKSA-N 1 0 317.433 2.075 10 0 DEAERO CC(C)[C@@H]1CN(C(=O)CC[C@@H](C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000638511850 405518516 /nfs/dbraw/zinc/51/85/16/405518516.db2.gz CCAVIWHVOOYSPG-AEFFLSMTSA-N 1 0 317.477 2.483 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(C)[C@@H](CO)c2ccccc2)CC1 ZINC000458670158 405533222 /nfs/dbraw/zinc/53/32/22/405533222.db2.gz UAZOYHCGGKCVMS-KRWDZBQOSA-N 1 0 317.433 2.013 10 0 DEAERO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCN2CCCO)cc1 ZINC000449389806 405539205 /nfs/dbraw/zinc/53/92/05/405539205.db2.gz UCOVVYKTVAAZGR-NVXWUHKLSA-N 1 0 306.450 2.063 10 0 DEAERO C[C@H]1CC[C@H](NC(=O)COc2ccc(F)cc2Cl)C[NH2+]1 ZINC000638656866 405599902 /nfs/dbraw/zinc/59/99/02/405599902.db2.gz LNCHMCMEGKTYBO-ONGXEEELSA-N 1 0 300.761 2.115 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)COc2ccc(F)cc2Cl)C[NH2+]1 ZINC000638656865 405600165 /nfs/dbraw/zinc/60/01/65/405600165.db2.gz LNCHMCMEGKTYBO-MWLCHTKSSA-N 1 0 300.761 2.115 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000580545173 405639805 /nfs/dbraw/zinc/63/98/05/405639805.db2.gz FYVLMGXOOHYBHX-NVXWUHKLSA-N 1 0 321.417 2.176 10 0 DEAERO CC(C)(C[NH+]1CCCC1)NC(=O)Cn1ncc2ccccc21 ZINC000457050354 405669536 /nfs/dbraw/zinc/66/95/36/405669536.db2.gz LGEIDAUFAQOUEV-UHFFFAOYSA-N 1 0 300.406 2.027 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CCCC12CC2 ZINC000638794585 405673632 /nfs/dbraw/zinc/67/36/32/405673632.db2.gz FBDWWKFWEGLGTC-IRXDYDNUSA-N 1 0 315.461 2.142 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](CCCc2cccc(C)c2)CC1 ZINC000494381825 405685120 /nfs/dbraw/zinc/68/51/20/405685120.db2.gz BFQPJOGKRBBFLK-UHFFFAOYSA-N 1 0 318.461 2.497 10 0 DEAERO c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)O2)cc1 ZINC000423119715 405701237 /nfs/dbraw/zinc/70/12/37/405701237.db2.gz DINSVBQGIDZOLM-XWSJACJDSA-N 1 0 316.445 2.263 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1CCCC12CC2 ZINC000638834267 405702333 /nfs/dbraw/zinc/70/23/33/405702333.db2.gz OABSJZGPZGQHPQ-NUEKZKHPSA-N 1 0 302.418 2.368 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cn3ccccc3n2)C1 ZINC000559903205 405760592 /nfs/dbraw/zinc/76/05/92/405760592.db2.gz KJVZCTRJPGBWCD-UKRRQHHQSA-N 1 0 300.406 2.243 10 0 DEAERO Cc1ncc(C(F)(F)F)cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638902118 405750757 /nfs/dbraw/zinc/75/07/57/405750757.db2.gz OGHSMRXHGOTGIT-PSASIEDQSA-N 1 0 301.312 2.076 10 0 DEAERO c1cc(C[C@H]2CC[N@H+](Cc3cc4c(cn3)OCCO4)C2)ccn1 ZINC000638973787 405790277 /nfs/dbraw/zinc/79/02/77/405790277.db2.gz NTGUPQYYGPLTNE-OAHLLOKOSA-N 1 0 311.385 2.312 10 0 DEAERO CO[C@@H]1CC[C@@H](NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000530409991 405798565 /nfs/dbraw/zinc/79/85/65/405798565.db2.gz AOLPPLUWKCADFP-HZPDHXFCSA-N 1 0 311.470 2.316 10 0 DEAERO COC1CCN(C(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)CC1 ZINC000530424587 405799271 /nfs/dbraw/zinc/79/92/71/405799271.db2.gz OLMOQGDSRHILKF-LBPRGKRZSA-N 1 0 305.422 2.275 10 0 DEAERO CC(C)Oc1ccc2[nH+]ccc(N3CC[C@H](NC(N)=O)C3)c2c1 ZINC000450407458 405882036 /nfs/dbraw/zinc/88/20/36/405882036.db2.gz IABLNYMCJYRABT-LBPRGKRZSA-N 1 0 314.389 2.269 10 0 DEAERO COc1nsc(C[NH2+]CCC(C)(C)O)c1Br ZINC000639065437 405857755 /nfs/dbraw/zinc/85/77/55/405857755.db2.gz HETDWYYHUOBLOJ-UHFFFAOYSA-N 1 0 309.229 2.165 10 0 DEAERO c1cc(C[NH2+]CCC[C@H]2CCO2)c(OC[C@@H]2CCOC2)cn1 ZINC000639184143 405952927 /nfs/dbraw/zinc/95/29/27/405952927.db2.gz ISGLWNYOMRRBDT-ZBFHGGJFSA-N 1 0 306.406 2.156 10 0 DEAERO Brc1cnc2c(C[NH+]3CC(C4CC4)C3)cnn2c1 ZINC000639196708 405963919 /nfs/dbraw/zinc/96/39/19/405963919.db2.gz QCBAMYIIAZBXQS-UHFFFAOYSA-N 1 0 307.195 2.334 10 0 DEAERO O[C@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)Cn1ccnn1 ZINC000459704905 406011215 /nfs/dbraw/zinc/01/12/15/406011215.db2.gz TZJAABAJVIBSIR-OAHLLOKOSA-N 1 0 314.414 2.157 10 0 DEAERO CC1(c2ccccc2)CCC([NH2+]C[C@H](O)Cn2ccnn2)CC1 ZINC000459689277 406007642 /nfs/dbraw/zinc/00/76/42/406007642.db2.gz DANIFNFZOSUUGK-ADKAHSJRSA-N 1 0 314.433 2.129 10 0 DEAERO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000467382160 406096405 /nfs/dbraw/zinc/09/64/05/406096405.db2.gz OVXJCGITDKOZDR-SRVKXCTJSA-N 1 0 300.424 2.132 10 0 DEAERO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532378206 406072591 /nfs/dbraw/zinc/07/25/91/406072591.db2.gz RUDDQNGGOSWHHV-CQSZACIVSA-N 1 0 312.454 2.299 10 0 DEAERO C[C@@]1(C(=O)NCCNc2cc[nH+]cc2)CCc2ccccc2C1 ZINC000533814690 406163479 /nfs/dbraw/zinc/16/34/79/406163479.db2.gz GNWRAWCOULTNMJ-LJQANCHMSA-N 1 0 309.413 2.227 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNCc2c(Br)cnn2C)C1 ZINC000486987897 406195833 /nfs/dbraw/zinc/19/58/33/406195833.db2.gz HFVUFENXJGUTJK-LLVKDONJSA-N 1 0 315.259 2.004 10 0 DEAERO C[C@]1(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CC1(F)F ZINC000634650007 406207342 /nfs/dbraw/zinc/20/73/42/406207342.db2.gz ZBMUOWLEHVPJFT-HZPDHXFCSA-N 1 0 310.388 2.258 10 0 DEAERO COC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000535083797 406211236 /nfs/dbraw/zinc/21/12/36/406211236.db2.gz ORIDYYCVANBGEK-OLZOCXBDSA-N 1 0 319.401 2.404 10 0 DEAERO C[C@@H](Cc1ccncc1)[NH2+]Cc1c(Br)cnn1C ZINC000487275731 406219684 /nfs/dbraw/zinc/21/96/84/406219684.db2.gz PWYKFRGAZOOHIQ-JTQLQIEISA-N 1 0 309.211 2.298 10 0 DEAERO CC(C)[C@H]1C[C@H]([NH2+]Cc2c(Br)cnn2C)CCO1 ZINC000487579354 406248951 /nfs/dbraw/zinc/24/89/51/406248951.db2.gz VMOFSYDREUDFKM-ZWNOBZJWSA-N 1 0 316.243 2.476 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000546567843 406362224 /nfs/dbraw/zinc/36/22/24/406362224.db2.gz MYWRVDBHQZBQOE-MRXNPFEDSA-N 1 0 321.465 2.429 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000545858605 406329785 /nfs/dbraw/zinc/32/97/85/406329785.db2.gz HBFKWUZFMRCJLC-HOTGVXAUSA-N 1 0 309.454 2.141 10 0 DEAERO CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C)c1ccccc1 ZINC000488720235 406341443 /nfs/dbraw/zinc/34/14/43/406341443.db2.gz PIKQHUOGBXDDCS-ZVZYQTTQSA-N 1 0 304.434 2.203 10 0 DEAERO CSc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](CO)[C@@H]2C)cc1 ZINC000488809419 406351216 /nfs/dbraw/zinc/35/12/16/406351216.db2.gz TXDLRVKXTWEVHW-ZFWWWQNUSA-N 1 0 322.474 2.070 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000570377716 406385066 /nfs/dbraw/zinc/38/50/66/406385066.db2.gz RKIPFLLZOLNBPL-KBPBESRZSA-N 1 0 318.465 2.096 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cncc(Br)c1 ZINC000569121951 292392249 /nfs/dbraw/zinc/39/22/49/292392249.db2.gz OLFPHGBGPUSXNG-CABZTGNLSA-N 1 0 312.211 2.116 10 0 DEAERO CN(CCC[NH2+][C@@H]1CCCS(=O)(=O)CC1)Cc1ccccc1 ZINC000634951353 406367119 /nfs/dbraw/zinc/36/71/19/406367119.db2.gz UEGSWIKKSNBGPT-QGZVFWFLSA-N 1 0 324.490 2.065 10 0 DEAERO c1cnc(N2CCC[C@@H]([NH2+]Cc3ccc4nccnc4c3)C2)nc1 ZINC000634954126 406368742 /nfs/dbraw/zinc/36/87/42/406368742.db2.gz ULQXHTBGTQFYPK-OAHLLOKOSA-N 1 0 320.400 2.178 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000634957873 406370587 /nfs/dbraw/zinc/37/05/87/406370587.db2.gz ZSDVIYOKEVGLQY-AWEZNQCLSA-N 1 0 303.374 2.064 10 0 DEAERO Cc1cccc(N(C)C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)c1 ZINC000637907366 406472629 /nfs/dbraw/zinc/47/26/29/406472629.db2.gz NFPLMPOGOXXAGJ-SFHVURJKSA-N 1 0 311.429 2.417 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000548075145 406476956 /nfs/dbraw/zinc/47/69/56/406476956.db2.gz PFBNLCWYFVIACN-HNNXBMFYSA-N 1 0 301.390 2.236 10 0 DEAERO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)Cn1ncc2ccccc21 ZINC000548126986 406483356 /nfs/dbraw/zinc/48/33/56/406483356.db2.gz SCYFJYKIZKRCBN-INIZCTEOSA-N 1 0 314.433 2.369 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCCC(C)(C)C1 ZINC000637938704 406485640 /nfs/dbraw/zinc/48/56/40/406485640.db2.gz RQQLBLYXSLKFOI-INIZCTEOSA-N 1 0 303.450 2.094 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000637954258 406493907 /nfs/dbraw/zinc/49/39/07/406493907.db2.gz UZQKAZKHHCXHPE-OKZBNKHCSA-N 1 0 315.461 2.237 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2(C)C)c2ccccc21 ZINC000571261066 406497478 /nfs/dbraw/zinc/49/74/78/406497478.db2.gz SQKNCFRALDRFJE-ZBFHGGJFSA-N 1 0 315.417 2.131 10 0 DEAERO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637868528 406454086 /nfs/dbraw/zinc/45/40/86/406454086.db2.gz OMMGWNQODDUFKC-QAPCUYQASA-N 1 0 323.440 2.424 10 0 DEAERO c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000637879283 406458520 /nfs/dbraw/zinc/45/85/20/406458520.db2.gz OPVSTOHYVMIFEY-CABCVRRESA-N 1 0 300.406 2.478 10 0 DEAERO CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)C2 ZINC000526010066 406532650 /nfs/dbraw/zinc/53/26/50/406532650.db2.gz NFFYGVBIAGLKDH-BFHYXJOUSA-N 1 0 318.465 2.189 10 0 DEAERO CC[C@@H]1CCC[C@H]1NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638032764 406533010 /nfs/dbraw/zinc/53/30/10/406533010.db2.gz APJPZPUZDLQUMG-BRWVUGGUSA-N 1 0 303.450 2.141 10 0 DEAERO C1CC[NH+]([C@H]2CCCN(c3nc(C4CCOCC4)no3)CC2)C1 ZINC000569198597 292396244 /nfs/dbraw/zinc/39/62/44/292396244.db2.gz ASEPVMGHUUKMIK-HNNXBMFYSA-N 1 0 320.437 2.418 10 0 DEAERO C[C@H](NC(=O)c1cn2cccnc2n1)[C@H](c1ccccc1)[NH+](C)C ZINC000548432758 406514806 /nfs/dbraw/zinc/51/48/06/406514806.db2.gz XMOUUJGKVLTFOT-XJKSGUPXSA-N 1 0 323.400 2.151 10 0 DEAERO c1nc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc2c1OCCO2 ZINC000637996459 406515376 /nfs/dbraw/zinc/51/53/76/406515376.db2.gz PKTGUYNUBNUXQH-MRXNPFEDSA-N 1 0 317.433 2.303 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000548915342 406567929 /nfs/dbraw/zinc/56/79/29/406567929.db2.gz TWWGMBBGVCYVJK-OAHLLOKOSA-N 1 0 324.465 2.047 10 0 DEAERO Cc1ccncc1C[NH2+][C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000527223049 406598878 /nfs/dbraw/zinc/59/88/78/406598878.db2.gz LXYURPBXWAGZRJ-FQEVSTJZSA-N 1 0 324.472 2.468 10 0 DEAERO Cc1ccc(O)c(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)c1 ZINC000638200221 406619247 /nfs/dbraw/zinc/61/92/47/406619247.db2.gz CKEIXJWLANRNTA-HNNXBMFYSA-N 1 0 313.401 2.098 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc2ccsc21 ZINC000527344329 406621936 /nfs/dbraw/zinc/62/19/36/406621936.db2.gz PMPSOMXGGSXSMT-UHFFFAOYSA-N 1 0 319.430 2.250 10 0 DEAERO c1cnn(C2CC([NH2+]CC3(N4CCOCC4)CCCCC3)C2)c1 ZINC000638315883 406694947 /nfs/dbraw/zinc/69/49/47/406694947.db2.gz JVCFDEHQLIQMCM-UHFFFAOYSA-N 1 0 318.465 2.211 10 0 DEAERO CC(C)[C@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)C1CC1 ZINC000638423691 406765263 /nfs/dbraw/zinc/76/52/63/406765263.db2.gz CXRCQQALFLWHLN-XKQJLSEDSA-N 1 0 304.434 2.470 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1nccn1-c1ccccc1 ZINC000555104785 406833521 /nfs/dbraw/zinc/83/35/21/406833521.db2.gz DHEGOTIDNLTZEI-INIZCTEOSA-N 1 0 312.417 2.363 10 0 DEAERO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)[C@H](C)O)CC2)cc1 ZINC000570242516 292471377 /nfs/dbraw/zinc/47/13/77/292471377.db2.gz XUJDLZCDJUDEPR-KBPBESRZSA-N 1 0 320.433 2.049 10 0 DEAERO CC[C@@H]1CN(C(=O)CCc2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174598230 287133795 /nfs/dbraw/zinc/13/37/95/287133795.db2.gz LVUKDYDVEIBYHO-RHSMWYFYSA-N 1 0 322.424 2.062 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCNC(=O)C(C)(C)C ZINC000175025719 287219391 /nfs/dbraw/zinc/21/93/91/287219391.db2.gz TXNXDMPSTZVGMP-HUUCEWRRSA-N 1 0 323.481 2.014 10 0 DEAERO CCOC(=O)COc1ccc(Br)c(C[C@@H](C)[NH3+])c1 ZINC000129311318 196038114 /nfs/dbraw/zinc/03/81/14/196038114.db2.gz FIMZTMJSFRRPJL-SECBINFHSA-N 1 0 316.195 2.281 10 0 DEAERO [NH3+][C@@H](CCN1CCC(OCCO)CC1)c1ccc(Cl)cc1 ZINC000129390323 196043950 /nfs/dbraw/zinc/04/39/50/196043950.db2.gz XZEKUORGELZJJL-INIZCTEOSA-N 1 0 312.841 2.203 10 0 DEAERO Cc1cc(Br)cc2nc(C[C@@H]3C[NH2+]CCO3)[nH]c21 ZINC000129608152 196061536 /nfs/dbraw/zinc/06/15/36/196061536.db2.gz PVTOMKHWMGORCG-SNVBAGLBSA-N 1 0 310.195 2.165 10 0 DEAERO CC(C)CC1(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CCC1 ZINC000129750936 196072856 /nfs/dbraw/zinc/07/28/56/196072856.db2.gz BTVAABBODSSSMJ-HNNXBMFYSA-N 1 0 311.470 2.175 10 0 DEAERO CCc1ncsc1C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000130560198 196090961 /nfs/dbraw/zinc/09/09/61/196090961.db2.gz QUEYYENFBBEZFV-LBPRGKRZSA-N 1 0 323.462 2.031 10 0 DEAERO CCCN(CC[NH+](C)C)Cc1cc(C(N)=S)ccc1OC ZINC000130599080 196093869 /nfs/dbraw/zinc/09/38/69/196093869.db2.gz JTWAXVOFJXKLDF-UHFFFAOYSA-N 1 0 309.479 2.103 10 0 DEAERO COCC[NH2+]C[C@@H](C)NCc1cc(C)cc(Br)c1 ZINC000130907876 196122323 /nfs/dbraw/zinc/12/23/23/196122323.db2.gz WGNXJYAGPKACKQ-GFCCVEGCSA-N 1 0 315.255 2.472 10 0 DEAERO CCc1nsc(S[C@H]2CC[C@@](CO)([NH2+]C(C)C)C2)n1 ZINC000131005427 196131510 /nfs/dbraw/zinc/13/15/10/196131510.db2.gz UWAXGUQIXNJVJM-GXFFZTMASA-N 1 0 301.481 2.474 10 0 DEAERO CC(C)(C)[NH2+]Cc1ccc(CSCCS(C)(=O)=O)o1 ZINC000131061867 196136852 /nfs/dbraw/zinc/13/68/52/196136852.db2.gz LOWNMNCXVVOFGV-UHFFFAOYSA-N 1 0 305.465 2.446 10 0 DEAERO CCO[C@@H](C)CNS(=O)(=O)c1cccc([C@@H](CC)[NH2+]C)c1 ZINC000131228606 196151299 /nfs/dbraw/zinc/15/12/99/196151299.db2.gz BKWUTQTWKNTELO-SWLSCSKDSA-N 1 0 314.451 2.060 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCOC2(CCC2)C1 ZINC000131308601 196159463 /nfs/dbraw/zinc/15/94/63/196159463.db2.gz PZFRJKNRFSIPFI-OAHLLOKOSA-N 1 0 309.454 2.071 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)Cc1c(F)cccc1F ZINC000131397899 196164645 /nfs/dbraw/zinc/16/46/45/196164645.db2.gz UMKKRVHTNHEBJC-LLVKDONJSA-N 1 0 305.390 2.310 10 0 DEAERO C[S@](=O)CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000131392912 196164730 /nfs/dbraw/zinc/16/47/30/196164730.db2.gz DSQSISHADOWGAU-SUMWQHHRSA-N 1 0 316.264 2.275 10 0 DEAERO CC[C@@](O)(c1c(Br)cnn1CC[NH+](C)C)C(C)C ZINC000131450311 196170163 /nfs/dbraw/zinc/17/01/63/196170163.db2.gz KOAAICCEAHYALD-ZDUSSCGKSA-N 1 0 318.259 2.461 10 0 DEAERO C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)[C@@H](C)S(C)(=O)=O ZINC000131473491 196172231 /nfs/dbraw/zinc/17/22/31/196172231.db2.gz GPTJHHKAOWSSEM-BXKDBHETSA-N 1 0 309.353 2.269 10 0 DEAERO C[NH2+][C@@H](Cc1cccc(F)c1F)[C@H]1CCCCS1(=O)=O ZINC000131482748 196173055 /nfs/dbraw/zinc/17/30/55/196173055.db2.gz UKRMGSRYWIVYPU-QWHCGFSZSA-N 1 0 303.374 2.063 10 0 DEAERO Cc1cc(Br)cc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000131482865 196173223 /nfs/dbraw/zinc/17/32/23/196173223.db2.gz JSIQWKUICOXNEP-VXGBXAGGSA-N 1 0 309.207 2.049 10 0 DEAERO CC(C)[NH2+]C[C@H]1COCCN1c1ncccc1Br ZINC000131489731 196173946 /nfs/dbraw/zinc/17/39/46/196173946.db2.gz IYKRCICUKBWNAH-NSHDSACASA-N 1 0 314.227 2.047 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)cc1Br ZINC000131538652 196177723 /nfs/dbraw/zinc/17/77/23/196177723.db2.gz PHBYXSCHOLJQNA-IONNQARKSA-N 1 0 319.586 2.015 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)s1 ZINC000131745792 196196143 /nfs/dbraw/zinc/19/61/43/196196143.db2.gz NYTVOXFKGYJNSA-RYUDHWBXSA-N 1 0 316.492 2.177 10 0 DEAERO C[NH2+]Cc1csc(S(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)c1 ZINC000131787559 196199074 /nfs/dbraw/zinc/19/90/74/196199074.db2.gz ASEMPQHPEUWAAL-QWRGUYRKSA-N 1 0 302.465 2.134 10 0 DEAERO C[C@@H](C(=O)N1CCC(c2ccnn2C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000131909220 196209136 /nfs/dbraw/zinc/20/91/36/196209136.db2.gz NANCEZGPUHNKRT-KFWWJZLASA-N 1 0 318.465 2.387 10 0 DEAERO COC[C@H](C)[C@H](C[NH3+])N(C)Cc1ccccc1Br ZINC000131959180 196213656 /nfs/dbraw/zinc/21/36/56/196213656.db2.gz XMVKNMQCYUCWRX-FZMZJTMJSA-N 1 0 315.255 2.491 10 0 DEAERO CN(C(=O)c1sc2cccnc2c1N)C1CC[NH+](C)CC1 ZINC000132136762 196229360 /nfs/dbraw/zinc/22/93/60/196229360.db2.gz ZOIPSZLHQKQBIN-UHFFFAOYSA-N 1 0 304.419 2.045 10 0 DEAERO C[C@H]([NH2+]CCNC(=O)N(C)C)c1sccc1Br ZINC000132366362 196250142 /nfs/dbraw/zinc/25/01/42/196250142.db2.gz BIJAGTAWBXCDOH-QMMMGPOBSA-N 1 0 320.256 2.432 10 0 DEAERO Cc1ccc([C@H](O)CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000132599491 196269847 /nfs/dbraw/zinc/26/98/47/196269847.db2.gz BMVHRIQCYULURC-USXIJHARSA-N 1 0 319.449 2.056 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H](COCc2ccc(Br)cc2)O1 ZINC000132682607 196276278 /nfs/dbraw/zinc/27/62/78/196276278.db2.gz OFZMUOSBSLYQQL-ZWNOBZJWSA-N 1 0 300.196 2.343 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1[C@H](O)C1CCC1 ZINC000132856621 196290555 /nfs/dbraw/zinc/29/05/55/196290555.db2.gz PSVMUWMIYYVMFI-GFCCVEGCSA-N 1 0 302.216 2.041 10 0 DEAERO CC(C)n1ncc(Br)c1[C@H](O)[C@H]1CCC[NH2+]C1 ZINC000132873173 196291586 /nfs/dbraw/zinc/29/15/86/196291586.db2.gz FJTLJXGUBOVKAS-JOYOIKCWSA-N 1 0 302.216 2.260 10 0 DEAERO COc1ccc(Br)cc1C[C@@H](O)C1CC[NH2+]CC1 ZINC000132999096 196303774 /nfs/dbraw/zinc/30/37/74/196303774.db2.gz GONPOQXQTYLYPK-CYBMUJFWSA-N 1 0 314.223 2.361 10 0 DEAERO C[NH2+][C@H](CC[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000133072349 196309106 /nfs/dbraw/zinc/30/91/06/196309106.db2.gz YFOASTVOLMIALI-DZGCQCFKSA-N 1 0 302.484 2.216 10 0 DEAERO O[C@@H](Cc1ccc(F)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000133109001 196312692 /nfs/dbraw/zinc/31/26/92/196312692.db2.gz OPEHFMFXQHVIJZ-MFKMUULPSA-N 1 0 302.187 2.491 10 0 DEAERO CCC[NH2+][C@H](c1ccc(COC)o1)[C@@H]1CCCCS1(=O)=O ZINC000133170204 196318027 /nfs/dbraw/zinc/31/80/27/196318027.db2.gz QRYKTPYQMGPHMQ-LSDHHAIUSA-N 1 0 315.435 2.434 10 0 DEAERO C[NH2+]C[C@@H](C)CNc1ccccc1S(=O)(=O)C(F)(F)F ZINC000133249837 196324122 /nfs/dbraw/zinc/32/41/22/196324122.db2.gz JRMIJXAZIQWIRU-SECBINFHSA-N 1 0 310.341 2.248 10 0 DEAERO C[NH2+][C@H](Cc1cc(C)ccc1OC)[C@H]1CCCCS1(=O)=O ZINC000133307324 196329169 /nfs/dbraw/zinc/32/91/69/196329169.db2.gz KYGICFOWIPPZCC-GDBMZVCRSA-N 1 0 311.447 2.101 10 0 DEAERO NS(=O)(=O)c1ccccc1NCC[NH2+]C1CCCCCC1 ZINC000133568662 196331346 /nfs/dbraw/zinc/33/13/46/196331346.db2.gz JHDVGKQMJCKCPV-UHFFFAOYSA-N 1 0 311.451 2.058 10 0 DEAERO Cc1cc(C)cc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)c1 ZINC000134008592 196353390 /nfs/dbraw/zinc/35/33/90/196353390.db2.gz CRXGXHNQZUDIOM-GOEBONIOSA-N 1 0 310.463 2.489 10 0 DEAERO COc1ccc(Br)c(C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC000134346367 196380548 /nfs/dbraw/zinc/38/05/48/196380548.db2.gz GXDNLPXROWTRKA-AWEZNQCLSA-N 1 0 314.223 2.457 10 0 DEAERO CC[NH2+]Cc1cnc(-n2nc(C)c(Br)c2C)nc1C ZINC000134500598 196397147 /nfs/dbraw/zinc/39/71/47/196397147.db2.gz QZFJPLDHARHAOM-UHFFFAOYSA-N 1 0 324.226 2.460 10 0 DEAERO C[NH2+][C@@H](Cc1ccccc1Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000136022286 196516057 /nfs/dbraw/zinc/51/60/57/196516057.db2.gz FBAKSRPBIYHRPP-DGCLKSJQSA-N 1 0 301.839 2.295 10 0 DEAERO CCC[NH2+]Cc1ccc(CS(=O)(=O)N(C)CC(F)F)cc1 ZINC000137047296 196562300 /nfs/dbraw/zinc/56/23/00/196562300.db2.gz FIKXPMOWALJLCW-UHFFFAOYSA-N 1 0 320.405 2.213 10 0 DEAERO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000262033329 287302860 /nfs/dbraw/zinc/30/28/60/287302860.db2.gz XTRJHJUDELURTL-ZKXLYKBJSA-N 1 0 310.482 2.328 10 0 DEAERO C[C@@H]1CN(c2cncc(OCC3CCCC3)n2)C[C@H]1[NH+](C)C ZINC000302327942 230215345 /nfs/dbraw/zinc/21/53/45/230215345.db2.gz YPXICMYNYWGGRU-UKRRQHHQSA-N 1 0 304.438 2.432 10 0 DEAERO CC[NH+](CC)CCCNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000049934609 424837345 /nfs/dbraw/zinc/83/73/45/424837345.db2.gz VPKGZBKMVSJQEO-AWEZNQCLSA-N 1 0 320.437 2.045 10 0 DEAERO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886037 424849628 /nfs/dbraw/zinc/84/96/28/424849628.db2.gz OPJMIJVHPCSNHJ-INIZCTEOSA-N 1 0 318.465 2.242 10 0 DEAERO Cc1cccc(C)c1OC[C@H](O)CN1CCC([NH+](C)C)CC1 ZINC000193811954 424871610 /nfs/dbraw/zinc/87/16/10/424871610.db2.gz PVBHRQDVESGHGY-QGZVFWFLSA-N 1 0 306.450 2.069 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)NCc1nccs1)c1ccccc1 ZINC000194363801 424875447 /nfs/dbraw/zinc/87/54/47/424875447.db2.gz KZFWQQHNPVKLLM-ZDUSSCGKSA-N 1 0 304.419 2.245 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000194452100 424876261 /nfs/dbraw/zinc/87/62/61/424876261.db2.gz YSEYBUCWJNIEGJ-RDJZCZTQSA-N 1 0 319.449 2.202 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)c2ccc(OC(F)(F)F)cc2)C[NH2+]1 ZINC000131154312 424858456 /nfs/dbraw/zinc/85/84/56/424858456.db2.gz XSJXWXLQVTYNIX-GXSJLCMTSA-N 1 0 302.296 2.456 10 0 DEAERO Brc1ccsc1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404248874 424926129 /nfs/dbraw/zinc/92/61/29/424926129.db2.gz IAAQEXKYBAOGIW-GHMZBOCLSA-N 1 0 317.252 2.073 10 0 DEAERO c1cn(C2CCCC2)nc1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000404692938 424928197 /nfs/dbraw/zinc/92/81/97/424928197.db2.gz RLAUDUSXJRXTBX-ZDUSSCGKSA-N 1 0 300.410 2.105 10 0 DEAERO C[C@@H](OCc1ccccc1)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000404549733 424928256 /nfs/dbraw/zinc/92/82/56/424928256.db2.gz OXNDCIFUGITCNU-ZBFHGGJFSA-N 1 0 302.418 2.383 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1nscc1Br ZINC000404789537 424928551 /nfs/dbraw/zinc/92/85/51/424928551.db2.gz GSXSSSUELPZSLS-QMMMGPOBSA-N 1 0 318.240 2.072 10 0 DEAERO CN(C(=O)c1nscc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000404771118 424928686 /nfs/dbraw/zinc/92/86/86/424928686.db2.gz JLLVTVASSGQGJB-MRVPVSSYSA-N 1 0 318.240 2.120 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2nscc2Br)C1 ZINC000404801335 424930127 /nfs/dbraw/zinc/93/01/27/424930127.db2.gz KTMUFVXFEPKIDP-MRVPVSSYSA-N 1 0 318.240 2.120 10 0 DEAERO CN(CCOCc1ccccc1)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407448045 424932240 /nfs/dbraw/zinc/93/22/40/424932240.db2.gz YKTLBEQTUQLRIW-IRXDYDNUSA-N 1 0 302.418 2.192 10 0 DEAERO Cc1occc1-c1cc(NC(=O)N(C)CCC[NH+](C)C)no1 ZINC000572220538 424934537 /nfs/dbraw/zinc/93/45/37/424934537.db2.gz WICYDPFWWBFZTP-UHFFFAOYSA-N 1 0 306.366 2.658 10 0 DEAERO Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)c(Br)c1 ZINC000657694261 425386843 /nfs/dbraw/zinc/38/68/43/425386843.db2.gz BLQNFWWZDGEQQE-LLVKDONJSA-N 1 0 311.223 2.325 10 0 DEAERO Cc1csc([C@@H](C)NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)n1 ZINC000653116527 425408866 /nfs/dbraw/zinc/40/88/66/425408866.db2.gz KGVLKGGKHULLBD-IWSPIJDZSA-N 1 0 307.341 2.027 10 0 DEAERO COCc1csc(NC(=O)NCCC[NH+]2CCCCC2)n1 ZINC000174403008 267497601 /nfs/dbraw/zinc/49/76/01/267497601.db2.gz YFFXNCUNIJHBFP-UHFFFAOYSA-N 1 0 312.439 2.287 10 0 DEAERO CC[C@@H]1CN(c2ncnc3c(C)cccc32)CC[N@@H+]1CCOC ZINC000177929754 267568625 /nfs/dbraw/zinc/56/86/25/267568625.db2.gz YPRQHAJGTSTMRY-OAHLLOKOSA-N 1 0 314.433 2.485 10 0 DEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1ccc(Br)cc1F ZINC000659313245 425574137 /nfs/dbraw/zinc/57/41/37/425574137.db2.gz LWGJONFBZPYXSZ-PELKAZGASA-N 1 0 315.186 2.079 10 0 DEAERO CO[C@@H]1C[N@H+](CC(=O)N(Cc2ccc(C)o2)C2CC2)CC[C@H]1C ZINC000189256782 267691335 /nfs/dbraw/zinc/69/13/35/267691335.db2.gz UPAJNFXTWUMAOE-CXAGYDPISA-N 1 0 320.433 2.436 10 0 DEAERO O=C(COc1ccc(Cl)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195092937 268565390 /nfs/dbraw/zinc/56/53/90/268565390.db2.gz OEEFWUYRJGHWKP-AWEZNQCLSA-N 1 0 308.809 2.416 10 0 DEAERO COc1cc(F)c(F)cc1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333234384 268909706 /nfs/dbraw/zinc/90/97/06/268909706.db2.gz CPRLHLOBKTUZRL-UHFFFAOYSA-N 1 0 311.332 2.333 10 0 DEAERO O=C(Nc1ccc([C@H]2CCOC2)cc1)N[C@H]1CCCC[NH2+]C1 ZINC000333258822 268914536 /nfs/dbraw/zinc/91/45/36/268914536.db2.gz DQOHYVXIAWCRBD-HOCLYGCPSA-N 1 0 303.406 2.454 10 0 DEAERO c1nc2c(nc1NC1CC[NH+](C[C@@H]3CCOC3)CC1)CCCC2 ZINC000333616609 268962956 /nfs/dbraw/zinc/96/29/56/268962956.db2.gz YUCMSVYOHBKXBL-AWEZNQCLSA-N 1 0 316.449 2.268 10 0 DEAERO O=C(c1c[nH]nc1-c1ccsc1)N1CCC2(CC[NH2+]2)CC1 ZINC000333771948 268990689 /nfs/dbraw/zinc/99/06/89/268990689.db2.gz CDDXJFSMZNIBFC-UHFFFAOYSA-N 1 0 302.403 2.106 10 0 DEAERO COC1(CNC(=O)N2CCC3(CC[NH2+]3)CC2)CCC(C)CC1 ZINC000333809149 268994056 /nfs/dbraw/zinc/99/40/56/268994056.db2.gz IYBYNZBRUMNVNH-UHFFFAOYSA-N 1 0 309.454 2.119 10 0 DEAERO COc1ccccc1[C@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333883427 268999897 /nfs/dbraw/zinc/99/98/97/268999897.db2.gz FDPLYLYRPAJVBL-IHRRRGAJSA-N 1 0 303.406 2.007 10 0 DEAERO Cc1ncc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000333907918 269003766 /nfs/dbraw/zinc/00/37/66/269003766.db2.gz VVJMEOXIYDMNQO-CQSZACIVSA-N 1 0 306.410 2.143 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1csnn1 ZINC000334119644 269021614 /nfs/dbraw/zinc/02/16/14/269021614.db2.gz KFEPXNKOOPXDGH-STQMWFEESA-N 1 0 323.466 2.259 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCC2(CO)CC2)C1 ZINC000395951505 269103029 /nfs/dbraw/zinc/10/30/29/269103029.db2.gz OYZCWCKCPIKHBF-AWEZNQCLSA-N 1 0 312.454 2.386 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)oc2C)C1 ZINC000396670256 269103807 /nfs/dbraw/zinc/10/38/07/269103807.db2.gz YHCUFSHWGGXMMK-SNVBAGLBSA-N 1 0 315.211 2.422 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000396672437 269103827 /nfs/dbraw/zinc/10/38/27/269103827.db2.gz ZNLFMWSDVKCPOO-LDYMZIIASA-N 1 0 315.211 2.373 10 0 DEAERO 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CC[C@H]1CN(c2nc3c(cccc3F)o2)CC[N@@H+]1C[C@@H](C)O ZINC000577445700 326365962 /nfs/dbraw/zinc/36/59/62/326365962.db2.gz HEJNXLRFERBCLP-NEPJUHHUSA-N 1 0 307.369 2.248 10 0 DEAERO C[C@@]1(C(N)=O)CCCCN1CC(=O)NCCCC1CCCCC1 ZINC000185936876 332260417 /nfs/dbraw/zinc/26/04/17/332260417.db2.gz ZMBNTFRPEQFZEO-SFHVURJKSA-N 1 0 323.481 2.193 10 0 DEAERO COC[C@@H](C)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000189640566 333191036 /nfs/dbraw/zinc/19/10/36/333191036.db2.gz MAFYPEJQJAGGPS-AWEZNQCLSA-N 1 0 308.397 2.256 10 0 DEAERO CCc1ccc(C(=O)N2CC[NH+](C[C@H](C)COC)CC2)cc1 ZINC000189669644 333323287 /nfs/dbraw/zinc/32/32/87/333323287.db2.gz KOUWNPBCMGRJDP-HNNXBMFYSA-N 1 0 304.434 2.289 10 0 DEAERO C[NH+]1CCC(O)(CNC(=O)c2cc3sccc3s2)CC1 ZINC000397558030 337276127 /nfs/dbraw/zinc/27/61/27/337276127.db2.gz OKIXTSGNKXIULC-UHFFFAOYSA-N 1 0 310.444 2.149 10 0 DEAERO CCc1cnc(CCNC(=O)[C@H]2[NH2+]CCc3ccccc32)s1 ZINC000178834987 341967087 /nfs/dbraw/zinc/96/70/87/341967087.db2.gz GWZWVFLIOCEDAT-INIZCTEOSA-N 1 0 315.442 2.251 10 0 DEAERO COC[C@H](C)C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000187715824 500625754 /nfs/dbraw/zinc/62/57/54/500625754.db2.gz RYFJEEDCOMQTAS-CJNGLKHVSA-N 1 0 306.406 2.176 10 0 DEAERO COc1cccc([C@H](CNC(=O)[C@H]2CCOC[C@H]2C)[NH+](C)C)c1 ZINC000195335809 533779525 /nfs/dbraw/zinc/77/95/25/533779525.db2.gz AZOLPOBOCGABHL-COXVUDFISA-N 1 0 320.433 2.087 10 0 DEAERO C[C@H](CC1CCOCC1)[NH2+][C@H]1CCO[C@H](c2cncn2C)C1 ZINC000328646183 533787853 /nfs/dbraw/zinc/78/78/53/533787853.db2.gz SLXJCSZIBBWOFE-KMFMINBZSA-N 1 0 307.438 2.435 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(-n2cnnn2)cc1 ZINC000187848534 533904500 /nfs/dbraw/zinc/90/45/00/533904500.db2.gz KMXBMGPEPPMDJS-SWLSCSKDSA-N 1 0 301.394 2.271 10 0 DEAERO Cc1c([C@H]2[C@H](C[NH2+][C@H]3CCC34CCC4)CC(=O)N2C)cnn1C ZINC000328820843 533959116 /nfs/dbraw/zinc/95/91/16/533959116.db2.gz OSVDGAMFFHATLI-JLJPHGGASA-N 1 0 316.449 2.170 10 0 DEAERO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187850028 534176528 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CC1(C)CN(C(=O)Cc2coc(-c3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000262059732 535338044 /nfs/dbraw/zinc/33/80/44/535338044.db2.gz RPLFOKUUVUPEJM-HNNXBMFYSA-N 1 0 313.401 2.470 10 0 DEAERO CC1(C)CN(C(=O)c2ccc(N3CCCC3=O)cc2)CC[C@H]1[NH3+] ZINC000261762601 535348619 /nfs/dbraw/zinc/34/86/19/535348619.db2.gz FJVBIQWGQKYWNU-OAHLLOKOSA-N 1 0 315.417 2.013 10 0 DEAERO CC1(C)CN(Cc2ncc(Br)s2)CC[C@@H]1[NH3+] ZINC000261612537 535356957 /nfs/dbraw/zinc/35/69/57/535356957.db2.gz CFULLFHSHHGWON-QMMMGPOBSA-N 1 0 304.257 2.465 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2F)C12CCOCC2 ZINC000249032344 535407502 /nfs/dbraw/zinc/40/75/02/535407502.db2.gz SRKUYBNPDBNVIZ-BRWVUGGUSA-N 1 0 323.408 2.423 10 0 DEAERO CCN1CCC[C@H]1C[N@H+](C)CCCCCS(=O)(=O)CC ZINC000190624833 535590663 /nfs/dbraw/zinc/59/06/63/535590663.db2.gz IGMIMKWIQZYTAL-HNNXBMFYSA-N 1 0 304.500 2.008 10 0 DEAERO CCS[C@@H]1CCC[C@@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000361917009 535708882 /nfs/dbraw/zinc/70/88/82/535708882.db2.gz 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O=S(=O)(/C=C/c1ccc(Cl)cc1)NCC[C@H]1CC[NH2+]C1 ZINC000110797267 652440672 /nfs/dbraw/zinc/44/06/72/652440672.db2.gz VITNTBZTPGEKPA-UTSBKAFOSA-N 1 0 314.838 2.230 10 0 DEAERO c1ccc(OCCOCC[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000110846931 652457817 /nfs/dbraw/zinc/45/78/17/652457817.db2.gz GMPYLOFVBACSSY-MRXNPFEDSA-N 1 0 321.417 2.167 10 0 DEAERO OC1(C[NH2+]Cc2nc(Br)c[nH]2)CCCCCC1 ZINC000380021986 685394225 /nfs/dbraw/zinc/39/42/25/685394225.db2.gz DOZCCQSCHWDLQU-UHFFFAOYSA-N 1 0 302.216 2.347 10 0 DEAERO COc1csc(C(=O)N2C[C@@H]([NH3+])CC[C@H]2C(F)(F)F)c1 ZINC000380869767 685398058 /nfs/dbraw/zinc/39/80/58/685398058.db2.gz HADIJIFVRDWJPU-XVKPBYJWSA-N 1 0 308.325 2.251 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1C ZINC000381988328 685403100 /nfs/dbraw/zinc/40/31/00/685403100.db2.gz OKPACINBMCZWEX-RBSFLKMASA-N 1 0 311.470 2.173 10 0 DEAERO CC[C@@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)C(N)=O ZINC000386187643 685416651 /nfs/dbraw/zinc/41/66/51/685416651.db2.gz HQUJKHXRELDGLP-MNOVXSKESA-N 1 0 313.195 2.126 10 0 DEAERO C[C@@H](CCC[NH3+])NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000388325302 685428024 /nfs/dbraw/zinc/42/80/24/685428024.db2.gz JUTMPOQJAYHVCM-IEHMKBBKSA-N 1 0 302.827 2.358 10 0 DEAERO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389971816 685436963 /nfs/dbraw/zinc/43/69/63/685436963.db2.gz VRIIAVIPWPGFIR-GOEBONIOSA-N 1 0 312.417 2.078 10 0 DEAERO COC(=O)CC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000037252244 683882013 /nfs/dbraw/zinc/88/20/13/683882013.db2.gz BVSUXHASNKVWNM-NSHDSACASA-N 1 0 314.179 2.425 10 0 DEAERO O=C(c1cc(Cl)nc(Cl)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000038107482 683887111 /nfs/dbraw/zinc/88/71/11/683887111.db2.gz RWNGPEJLHSDDLH-JTQLQIEISA-N 1 0 300.189 2.309 10 0 DEAERO CC1(C)CCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000077382622 683951851 /nfs/dbraw/zinc/95/18/51/683951851.db2.gz HDBQUJYENIPDIB-UHFFFAOYSA-N 1 0 315.417 2.392 10 0 DEAERO Cc1ccc(OCC(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000078291139 683960577 /nfs/dbraw/zinc/96/05/77/683960577.db2.gz NRUSGABGVHGWAM-KRWDZBQOSA-N 1 0 321.417 2.274 10 0 DEAERO Cc1oc(-c2ccco2)nc1CC(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000093991235 684051975 /nfs/dbraw/zinc/05/19/75/684051975.db2.gz LJDGKGGJJWKJSK-QWHCGFSZSA-N 1 0 317.389 2.384 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](Cn3nccc3-c3ccncc3)C2)cn1 ZINC000116257718 684064423 /nfs/dbraw/zinc/06/44/23/684064423.db2.gz INZCCIUVMWTQSO-OAHLLOKOSA-N 1 0 308.389 2.126 10 0 DEAERO Cn1cc(CCC(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000117100058 684067390 /nfs/dbraw/zinc/06/73/90/684067390.db2.gz JDVFMVSCPYFQHW-KRWDZBQOSA-N 1 0 313.401 2.170 10 0 DEAERO CC[C@H]1CC(=O)N(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC000119279713 684079031 /nfs/dbraw/zinc/07/90/31/684079031.db2.gz HKUSAXSKDAUTGY-GJZGRUSLSA-N 1 0 323.481 2.075 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000122205945 684113725 /nfs/dbraw/zinc/11/37/25/684113725.db2.gz XHKMANVDSATQNV-TZMCWYRMSA-N 1 0 304.415 2.198 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)Nc2cccnc2Cl)CC[N@@H+]1C ZINC000123809243 684128233 /nfs/dbraw/zinc/12/82/33/684128233.db2.gz FPWUASONHHSHMP-NWDGAFQWSA-N 1 0 310.829 2.088 10 0 DEAERO [NH3+][C@@H](CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000123857863 684128849 /nfs/dbraw/zinc/12/88/49/684128849.db2.gz JSWUGXRGZSTXEA-GJZGRUSLSA-N 1 0 308.809 2.367 10 0 DEAERO COCc1cc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)ccc1OC ZINC000125709543 684147753 /nfs/dbraw/zinc/14/77/53/684147753.db2.gz ZGKAMIGGWJVSDB-KDOFPFPSSA-N 1 0 323.433 2.281 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)[C@H]2CSCCS2)CC1 ZINC000129933621 684183959 /nfs/dbraw/zinc/18/39/59/684183959.db2.gz JRRKSAAKEJOPRJ-WXRRBKDZSA-N 1 0 302.509 2.072 10 0 DEAERO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(N2CCSCC2)cc1 ZINC000130803088 684193309 /nfs/dbraw/zinc/19/33/09/684193309.db2.gz CYDKWGAJQWMMPM-CYBMUJFWSA-N 1 0 305.447 2.178 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)O[C@@H]3CCO[C@H]3C)cc2)CC1 ZINC000187744544 684342954 /nfs/dbraw/zinc/34/29/54/684342954.db2.gz CYVNRSBDYDSTLG-WMLDXEAASA-N 1 0 318.417 2.163 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000187914571 684345592 /nfs/dbraw/zinc/34/55/92/684345592.db2.gz JBMGIZQXQIALOA-ABAIWWIYSA-N 1 0 311.813 2.156 10 0 DEAERO C[C@@H](C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1)[C@H](C)[NH3+] ZINC000192081155 684440942 /nfs/dbraw/zinc/44/09/42/684440942.db2.gz LJCLITGVUZLNOM-YCPHGPKFSA-N 1 0 316.401 2.325 10 0 DEAERO Cn1c2ccc(C[NH2+]C[C@H](O)c3ccccc3)cc2sc1=O ZINC000192451831 684450448 /nfs/dbraw/zinc/45/04/48/684450448.db2.gz SOIKDOBQXUKHGH-HNNXBMFYSA-N 1 0 314.410 2.423 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000193222361 685035816 /nfs/dbraw/zinc/03/58/16/685035816.db2.gz BLVRCNVNBMRZJN-CHWSQXEVSA-N 1 0 303.406 2.118 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000211319662 685103219 /nfs/dbraw/zinc/10/32/19/685103219.db2.gz QVELPETZVOISQW-GSFWHOLMSA-N 1 0 314.838 2.310 10 0 DEAERO CSc1cc2c(cc1NC(=O)[C@H]1CC[C@H]([NH3+])C1)OCCO2 ZINC000237300979 685108047 /nfs/dbraw/zinc/10/80/47/685108047.db2.gz BWJGZTAIEPEFDA-UWVGGRQHSA-N 1 0 308.403 2.246 10 0 DEAERO COCCO[C@@H]1CCC[N@H+](C[C@H](O)c2cc(C)cc(C)c2)C1 ZINC000245857674 685119091 /nfs/dbraw/zinc/11/90/91/685119091.db2.gz KJOXDFDXTODPQH-MSOLQXFVSA-N 1 0 307.434 2.464 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000246295045 685127767 /nfs/dbraw/zinc/12/77/67/685127767.db2.gz NOLGKOZCABQVCJ-ARFHVFGLSA-N 1 0 308.397 2.273 10 0 DEAERO C[C@@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)N1CCc2ccccc21 ZINC000246818129 685136788 /nfs/dbraw/zinc/13/67/88/685136788.db2.gz CIYZEOZSKDNPOS-VYDXJSESSA-N 1 0 313.445 2.133 10 0 DEAERO CC[C@@H]1CN(C[C@@H](O)c2cc(C)cc(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000246797635 685136979 /nfs/dbraw/zinc/13/69/79/685136979.db2.gz VEFCEHRBAXHPQE-BHIYHBOVSA-N 1 0 320.477 2.114 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cn1c2cc(Cl)ccc2oc1=O ZINC000246959482 685139470 /nfs/dbraw/zinc/13/94/70/685139470.db2.gz GCBNPFJQYVUOOE-YPMHNXCESA-N 1 0 321.808 2.374 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCSC(F)(F)F)C1 ZINC000246980428 685140112 /nfs/dbraw/zinc/14/01/12/685140112.db2.gz GHFFSCSPDUJPSY-NXEZZACHSA-N 1 0 313.389 2.267 10 0 DEAERO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc21 ZINC000247410832 685147609 /nfs/dbraw/zinc/14/76/09/685147609.db2.gz NGCOHRCXGYTACL-VYDXJSESSA-N 1 0 315.461 2.379 10 0 DEAERO C[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CCc2ccccc21 ZINC000250210888 685189923 /nfs/dbraw/zinc/18/99/23/685189923.db2.gz ODQOYBNDTCBSRK-RDJZCZTQSA-N 1 0 313.445 2.134 10 0 DEAERO C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000251851095 685192010 /nfs/dbraw/zinc/19/20/10/685192010.db2.gz RLODIZMFMLROSP-BXKDBHETSA-N 1 0 322.352 2.154 10 0 DEAERO Cn1cc(O[C@@H]2COC[C@@H]2[NH2+]CCc2cccc(Cl)c2)cn1 ZINC000862496421 686312356 /nfs/dbraw/zinc/31/23/56/686312356.db2.gz WBGMNEQLRAGEQM-JKSUJKDBSA-N 1 0 321.808 2.052 10 0 DEAERO O[C@@H](C[NH+]1CCC(OC[C@H]2CCCCO2)CC1)c1cccnc1 ZINC000878173173 690335660 /nfs/dbraw/zinc/33/56/60/690335660.db2.gz PUHFKSNOFDLRFT-MSOLQXFVSA-N 1 0 320.433 2.165 10 0 DEAERO [NH3+][C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)C[C@H]1c1ccccc1 ZINC000886048189 691992069 /nfs/dbraw/zinc/99/20/69/691992069.db2.gz QRMJTHBVWAHZIX-QVOWHETESA-N 1 0 311.360 2.187 10 0 DEAERO CCc1ncc(C[N@@H+]2CCC[C@H](c3nnc(C)o3)[C@@H]2C)cn1 ZINC000886077958 691998656 /nfs/dbraw/zinc/99/86/56/691998656.db2.gz SCQMGLIMAFXTMU-FZMZJTMJSA-N 1 0 301.394 2.499 10 0 DEAERO Cc1cc(C)c(C[NH2+]C[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1 ZINC000886085155 691999911 /nfs/dbraw/zinc/99/99/11/691999911.db2.gz DGWWDSOEHPUUNQ-PBHICJAKSA-N 1 0 300.406 2.299 10 0 DEAERO CCC[C@@H](CCO)C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724048606 777230697 /nfs/dbraw/zinc/23/06/97/777230697.db2.gz NVKGTPOWWKGTQD-VHSXEESVSA-N 1 0 307.303 2.323 10 0 DEAERO Cc1c[nH]c(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC000723785112 777169714 /nfs/dbraw/zinc/16/97/14/777169714.db2.gz JJEYJELPMCCTPR-DGCLKSJQSA-N 1 0 308.426 2.311 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1cccc(Br)c1 ZINC000723789815 777170581 /nfs/dbraw/zinc/17/05/81/777170581.db2.gz RTQWZAFNRNGOLI-ZJUUUORDSA-N 1 0 312.211 2.426 10 0 DEAERO C[C@@H]1C[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)[C@@H](C)O1 ZINC000724036607 777225155 /nfs/dbraw/zinc/22/51/55/777225155.db2.gz OUSZSGZRZJDSCD-ZYUZMQFOSA-N 1 0 305.287 2.338 10 0 DEAERO COC1(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CCCC1 ZINC000724036206 777225534 /nfs/dbraw/zinc/22/55/34/777225534.db2.gz LDGVMFZLVWQTNI-SECBINFHSA-N 1 0 305.287 2.484 10 0 DEAERO C[C@](O)(C[NH2+]CC[C@H]1CCCCO1)C(F)(F)C(F)(F)F ZINC000724036038 777225714 /nfs/dbraw/zinc/22/57/14/777225714.db2.gz JAGRSWOGVGTUNR-ZJUUUORDSA-N 1 0 305.287 2.484 10 0 DEAERO C[C@](O)(C[N@@H+]1CCC[C@@H](CCO)C1)C(F)(F)C(F)(F)F ZINC000724041730 777228881 /nfs/dbraw/zinc/22/88/81/777228881.db2.gz OLHCRSFGKOMWMR-UWVGGRQHSA-N 1 0 305.287 2.029 10 0 DEAERO C[C@@](O)(C[N@@H+]1CCC[C@@H](CCO)C1)C(F)(F)C(F)(F)F ZINC000724041731 777228978 /nfs/dbraw/zinc/22/89/78/777228978.db2.gz OLHCRSFGKOMWMR-VHSXEESVSA-N 1 0 305.287 2.029 10 0 DEAERO C[N@H+](C[C@@H]1CCC[C@@H]1O)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724063133 777233861 /nfs/dbraw/zinc/23/38/61/777233861.db2.gz XAOQZFRHLKUVFG-LPEHRKFASA-N 1 0 305.287 2.028 10 0 DEAERO C[C@](O)(C[NH2+][C@@H]1COC2(CCC2)C1)C(F)(F)C(F)(F)F ZINC000724106096 777241796 /nfs/dbraw/zinc/24/17/96/777241796.db2.gz SMTXUDNYDWQHMC-IUCAKERBSA-N 1 0 303.271 2.236 10 0 DEAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724110627 777242540 /nfs/dbraw/zinc/24/25/40/777242540.db2.gz RMZNUOKKXNWXCS-SRQGCSHVSA-N 1 0 305.287 2.337 10 0 DEAERO C[C@@H](CCOCc1ccccc1)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724629161 777412021 /nfs/dbraw/zinc/41/20/21/777412021.db2.gz QPSHZNPFKLKTQG-RANZSIQMSA-N 1 0 305.418 2.375 10 0 DEAERO C/C=C(/CC)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000588568268 777450618 /nfs/dbraw/zinc/45/06/18/777450618.db2.gz YNTLGFXGTSAVDG-SXYJTYGUSA-N 1 0 305.466 2.112 10 0 DEAERO C[C@@]1(c2cccc(C[NH2+]C3CCCCC3)c2)NC(=O)NC1=O ZINC000174330008 777469822 /nfs/dbraw/zinc/46/98/22/777469822.db2.gz FDOMMPIYDCRUAH-KRWDZBQOSA-N 1 0 301.390 2.164 10 0 DEAERO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1 ZINC000174330072 777471067 /nfs/dbraw/zinc/47/10/67/777471067.db2.gz ONULWSBNVQJHSB-JDSLSITLSA-N 1 0 301.390 2.019 10 0 DEAERO C[C@H]([NH2+][C@H]1CC12CC(O)C2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000724917638 777520981 /nfs/dbraw/zinc/52/09/81/777520981.db2.gz JSXGPLCTNDGAGA-ATVJHYCQSA-N 1 0 310.438 2.135 10 0 DEAERO OC1CC2(C[C@H]2[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000724999656 777551356 /nfs/dbraw/zinc/55/13/56/777551356.db2.gz SCQVOLCJBHOFRH-JVWICGRDSA-N 1 0 324.218 2.387 10 0 DEAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)CCO1 ZINC000721809818 779288031 /nfs/dbraw/zinc/28/80/31/779288031.db2.gz GZRKABQIJHBDPA-STQMWFEESA-N 1 0 305.484 2.383 10 0 DEAERO Cc1noc(CC[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000724026904 787346724 /nfs/dbraw/zinc/34/67/24/787346724.db2.gz IFLWEVGWMZDZLC-QWHCGFSZSA-N 1 0 324.425 2.204 10 0 DEAERO CC(C)(C)C[C@H](O)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724050530 787347755 /nfs/dbraw/zinc/34/77/55/787347755.db2.gz YEBGWAGIOJZLRM-WPRPVWTQSA-N 1 0 307.303 2.322 10 0 DEAERO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cn1 ZINC000724315790 787350747 /nfs/dbraw/zinc/35/07/47/787350747.db2.gz BREVQFLGNIKCQG-SMHCIBLRSA-N 1 0 314.838 2.494 10 0 DEAERO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000724936911 787354872 /nfs/dbraw/zinc/35/48/72/787354872.db2.gz ONZVTFDFFPUULH-NZSAHSFTSA-N 1 0 318.461 2.292 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000725074834 787356122 /nfs/dbraw/zinc/35/61/22/787356122.db2.gz GGOKZDNJDCWRNE-JTQLQIEISA-N 1 0 302.465 2.031 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](O)C2(C)C)C1 ZINC000393943063 789603538 /nfs/dbraw/zinc/60/35/38/789603538.db2.gz MLDLEUMKCXGWHA-RFQIPJPRSA-N 1 0 312.454 2.429 10 0 DEAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712480152 792189960 /nfs/dbraw/zinc/18/99/60/792189960.db2.gz QJBMOFSUPYDRME-LOKLDPHHSA-N 1 0 302.216 2.084 10 0 DEAERO CCC(CC)(CO)C[NH2+]Cc1cn(C)nc1Br ZINC000712496403 792190768 /nfs/dbraw/zinc/19/07/68/792190768.db2.gz OMIQBRUZJFULJL-UHFFFAOYSA-N 1 0 304.232 2.071 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c(C)s1 ZINC000712508235 792191912 /nfs/dbraw/zinc/19/19/12/792191912.db2.gz YEIIISOXROKYIN-UHFFFAOYSA-N 1 0 302.465 2.128 10 0 DEAERO CCN1CC[C@H]1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000712593761 792192339 /nfs/dbraw/zinc/19/23/39/792192339.db2.gz IAPISJODXMYXDR-KBPBESRZSA-N 1 0 313.239 2.166 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000712610244 792193923 /nfs/dbraw/zinc/19/39/23/792193923.db2.gz YFWAQXBXHGZBCD-DLBZAZTESA-N 1 0 317.433 2.081 10 0 DEAERO Cc1c(Br)cccc1NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713791599 792245533 /nfs/dbraw/zinc/24/55/33/792245533.db2.gz FSKOSSOWAYXJJY-VHSXEESVSA-N 1 0 313.195 2.060 10 0 DEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713884057 792246940 /nfs/dbraw/zinc/24/69/40/792246940.db2.gz ULUJAOMHFWIBNO-UWVGGRQHSA-N 1 0 302.827 2.114 10 0 DEAERO CC(C)(C)c1ncc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)s1 ZINC000714250491 792305667 /nfs/dbraw/zinc/30/56/67/792305667.db2.gz OKVWMZOVOKCVLR-HOMQSWHASA-N 1 0 302.465 2.106 10 0 DEAERO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000714363171 792311648 /nfs/dbraw/zinc/31/16/48/792311648.db2.gz ORAZHCAESBFBEX-SNVBAGLBSA-N 1 0 307.337 2.161 10 0 DEAERO [NH3+]C1CC(CNC(=O)CSc2nc3ccccc3s2)C1 ZINC000715082156 792381732 /nfs/dbraw/zinc/38/17/32/792381732.db2.gz OXBQKOGEPNVRPB-UHFFFAOYSA-N 1 0 307.444 2.242 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cn(C)nn1 ZINC000715850466 792526020 /nfs/dbraw/zinc/52/60/20/792526020.db2.gz AWYOEHLMSVAARF-CHWSQXEVSA-N 1 0 323.441 2.255 10 0 DEAERO Cc1cc(NC(=O)C23CC[NH+](CC2)C3)cnc1Br ZINC000715834892 792526617 /nfs/dbraw/zinc/52/66/17/792526617.db2.gz CHISQYJMBBQPPS-UHFFFAOYSA-N 1 0 310.195 2.187 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1cn(C)nn1 ZINC000715858043 792527230 /nfs/dbraw/zinc/52/72/30/792527230.db2.gz VQGZSZCLYBTAGN-AVGNSLFASA-N 1 0 323.441 2.159 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCC2(C)OCCO2)C1 ZINC000716018118 792553350 /nfs/dbraw/zinc/55/33/50/792553350.db2.gz CQIYZEZKRNRJAH-BETUJISGSA-N 1 0 314.426 2.032 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)s1 ZINC000716552640 792972246 /nfs/dbraw/zinc/97/22/46/792972246.db2.gz FWNWTUJIYKZLDC-NSHDSACASA-N 1 0 302.465 2.031 10 0 DEAERO NC(=O)C1CC([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000716718402 793003043 /nfs/dbraw/zinc/00/30/43/793003043.db2.gz WGABCPYGUWEDBY-UHFFFAOYSA-N 1 0 317.614 2.456 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC[C@H](O)C(F)F)C1(C)C ZINC000716753901 793005291 /nfs/dbraw/zinc/00/52/91/793005291.db2.gz PETKSLDUXISEIN-HBNTYKKESA-N 1 0 322.396 2.284 10 0 DEAERO CC(=O)N1CCC([NH2+]CCCn2cnc3ccccc32)CC1 ZINC000072727610 795900819 /nfs/dbraw/zinc/90/08/19/795900819.db2.gz NBCTYABTTCJJHG-UHFFFAOYSA-N 1 0 300.406 2.027 10 0 DEAERO [NH3+][C@H]1CN(c2nnc(C(F)F)s2)CC[C@@H]1C(F)(F)F ZINC000716985010 798338845 /nfs/dbraw/zinc/33/88/45/798338845.db2.gz IEVVGVRYCUSEKZ-WHFBIAKZSA-N 1 0 302.272 2.192 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+][C@H]2CCOC2)C1 ZINC000717149710 799256567 /nfs/dbraw/zinc/25/65/67/799256567.db2.gz CDKSGPYEHORQBA-NEPJUHHUSA-N 1 0 320.380 2.257 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCN(C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400406989 801784700 /nfs/dbraw/zinc/78/47/00/801784700.db2.gz RXOBHZIJRBGUKL-ZNMIVQPWSA-N 1 0 311.470 2.458 10 0 DEAERO Cc1c(C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000401717215 801844927 /nfs/dbraw/zinc/84/49/27/801844927.db2.gz YTOAYCSSIFFGPI-DOMZBBRYSA-N 1 0 322.453 2.464 10 0 DEAERO C[C@@H](CO)[C@@H](C)[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401776414 801849467 /nfs/dbraw/zinc/84/94/67/801849467.db2.gz SOLCIQBIWDJGKV-RQJABVFESA-N 1 0 300.443 2.238 10 0 DEAERO C[C@H]1C[C@H]([NH2+]Cc2cncn2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401765058 801850059 /nfs/dbraw/zinc/85/00/59/801850059.db2.gz XWJMNPSFQVRXIC-STQMWFEESA-N 1 0 308.426 2.155 10 0 DEAERO CC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401784929 801852672 /nfs/dbraw/zinc/85/26/72/801852672.db2.gz YYUBAJJFIQQWBO-BFHYXJOUSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000401858610 801855593 /nfs/dbraw/zinc/85/55/93/801855593.db2.gz WOUYVOJVKVMVMW-RFGFWPKPSA-N 1 0 312.454 2.381 10 0 DEAERO c1cnc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)S4)C2)nc1 ZINC000403528476 801945672 /nfs/dbraw/zinc/94/56/72/801945672.db2.gz WOZKERGIGWGKAH-AVOUXACISA-N 1 0 304.463 2.462 10 0 DEAERO C[C@H](c1ccccc1Cl)[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000075697442 1080250331 /nfs/dbraw/zinc/25/03/31/1080250331.db2.gz FKMDNWSLECDQQX-CQSZACIVSA-N 1 0 323.868 2.497 10 0 DEAERO CC[N@H+](CCNc1ncc(Br)c(OC)n1)C1CC1 ZINC000085660626 1081519503 /nfs/dbraw/zinc/51/95/03/1081519503.db2.gz XNEYANQALRLSJT-UHFFFAOYSA-N 1 0 315.215 2.144 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717947041 1081844266 /nfs/dbraw/zinc/84/42/66/1081844266.db2.gz UFYULQKZFGBEPE-WBVHZDCISA-N 1 0 316.445 2.176 10 0 DEAERO C[NH2+]CC1CCN(S(=O)(=O)CCC(C)(C)C2CC2)CC1 ZINC000717984991 1081855896 /nfs/dbraw/zinc/85/58/96/1081855896.db2.gz UUQDKYSUAFPXKY-UHFFFAOYSA-N 1 0 302.484 2.074 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1ncc[nH]1 ZINC000721032661 1085598949 /nfs/dbraw/zinc/59/89/49/1085598949.db2.gz WBDXVEBLYQEPQL-CHWSQXEVSA-N 1 0 308.426 2.392 10 0 DEAERO CC[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2Br)CCO1 ZINC000720644797 1085809104 /nfs/dbraw/zinc/80/91/04/1085809104.db2.gz GJQCRVRUQBPIJT-GHMZBOCLSA-N 1 0 302.216 2.230 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccoc1Br ZINC000720817236 1086167421 /nfs/dbraw/zinc/16/74/21/1086167421.db2.gz RHUJXQFVHPBNTK-GHMZBOCLSA-N 1 0 313.195 2.351 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CSc1nc2ccccc2s1 ZINC000700749040 1086333521 /nfs/dbraw/zinc/33/35/21/1086333521.db2.gz UMEZKCKMBAXGTP-VHSXEESVSA-N 1 0 307.444 2.255 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]Cc1ccc(CO)o1)C2 ZINC000701863074 1086392121 /nfs/dbraw/zinc/39/21/21/1086392121.db2.gz DGGCNJUVHVQPPF-UHFFFAOYSA-N 1 0 322.405 2.261 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCN2C(C)(C)C)C1 ZINC000701962065 1086396499 /nfs/dbraw/zinc/39/64/99/1086396499.db2.gz VLVSSVNVZAGAOP-ZIAGYGMSSA-N 1 0 311.470 2.458 10 0 DEAERO C[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000702358471 1086423153 /nfs/dbraw/zinc/42/31/53/1086423153.db2.gz SALLJVAOXSRNPB-GDBMZVCRSA-N 1 0 305.466 2.244 10 0 DEAERO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@H]2CCOC(C)(C)C2)CO1 ZINC000703399150 1086498609 /nfs/dbraw/zinc/49/86/09/1086498609.db2.gz OXGPCRLKSIFDQR-RYUDHWBXSA-N 1 0 300.399 2.085 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(Br)o2)C1 ZINC000704291578 1086577128 /nfs/dbraw/zinc/57/71/28/1086577128.db2.gz QBHRHJQOCIBMFI-NVETZNIKSA-N 1 0 313.195 2.441 10 0 DEAERO O[C@H](C[NH2+]CC[C@@H]1CCSC1)COCc1cccs1 ZINC000704923974 1086596224 /nfs/dbraw/zinc/59/62/24/1086596224.db2.gz QDNGFLXWPHQDMI-CHWSQXEVSA-N 1 0 301.477 2.358 10 0 DEAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000705216336 1086606280 /nfs/dbraw/zinc/60/62/80/1086606280.db2.gz DVGOGHFFSAFQBC-MGPQQGTHSA-N 1 0 310.438 2.401 10 0 DEAERO COC(=O)/C(C)=C/CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705895938 1086628229 /nfs/dbraw/zinc/62/82/29/1086628229.db2.gz KBRAMMMMGCLSNO-JGTKTPFSSA-N 1 0 314.429 2.170 10 0 DEAERO Cn1nc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000706155571 1086632395 /nfs/dbraw/zinc/63/23/95/1086632395.db2.gz UNPBUUDGPBFRGO-PSASIEDQSA-N 1 0 310.751 2.033 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000708848759 1086679447 /nfs/dbraw/zinc/67/94/47/1086679447.db2.gz WDNPARNEOFVYOD-GGCNOCFKSA-N 1 0 314.838 2.167 10 0 DEAERO [NH3+][C@@H]1CCCCCN(C(=O)c2coc(Br)c2)C1 ZINC000709052307 1086680576 /nfs/dbraw/zinc/68/05/76/1086680576.db2.gz FBGJPQGBBDGDOK-SNVBAGLBSA-N 1 0 301.184 2.386 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000710908960 1086690338 /nfs/dbraw/zinc/69/03/38/1086690338.db2.gz XUCCUGMXZZARSM-STQMWFEESA-N 1 0 314.426 2.127 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000710906661 1086690698 /nfs/dbraw/zinc/69/06/98/1086690698.db2.gz PQRJQHOGMKGKIB-STQMWFEESA-N 1 0 314.426 2.127 10 0 DEAERO CCC(CC)[C@@H](O)C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710973346 1086692292 /nfs/dbraw/zinc/69/22/92/1086692292.db2.gz ZSGVLHSSNFWYDO-AWEZNQCLSA-N 1 0 300.443 2.240 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1ccccc1Br ZINC000711273995 1087041643 /nfs/dbraw/zinc/04/16/43/1087041643.db2.gz LTAQIIOLGRIGLW-LLVKDONJSA-N 1 0 311.223 2.311 10 0 DEAERO CCC[C@](C)(O)C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711492050 1087140480 /nfs/dbraw/zinc/14/04/80/1087140480.db2.gz RBXFKEBJHLACLH-ZENOOKHLSA-N 1 0 300.443 2.430 10 0 DEAERO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccc(Br)cc1 ZINC000711651822 1087186425 /nfs/dbraw/zinc/18/64/25/1087186425.db2.gz ABTVCIGBRSLOHQ-GXTWGEPZSA-N 1 0 309.207 2.464 10 0 DEAERO Cc1coc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000718094500 1087987309 /nfs/dbraw/zinc/98/73/09/1087987309.db2.gz OQTSSBOHOKGOKH-GOSISDBHSA-N 1 0 300.402 2.315 10 0 DEAERO Cc1coc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000718094501 1087987524 /nfs/dbraw/zinc/98/75/24/1087987524.db2.gz OQTSSBOHOKGOKH-SFHVURJKSA-N 1 0 300.402 2.315 10 0 DEAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1csc(C(F)(F)F)c1)C2 ZINC000718733813 1088635356 /nfs/dbraw/zinc/63/53/56/1088635356.db2.gz XZELKRMNHYECMA-JOYOIKCWSA-N 1 0 304.337 2.448 10 0 DEAERO CNC(=O)C(C)(C)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719219894 1088907939 /nfs/dbraw/zinc/90/79/39/1088907939.db2.gz RBSHLAVKEFLTKK-UHFFFAOYSA-N 1 0 320.256 2.076 10 0 DEAERO CO[C@@]1(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCSC1 ZINC000719248106 1088913116 /nfs/dbraw/zinc/91/31/16/1088913116.db2.gz HYQAJGMLGBWOPD-IUODEOHRSA-N 1 0 316.467 2.108 10 0 DEAERO Cc1nc(CN2CC[C@@]3(CC[NH2+]C3)C2)sc1Br ZINC000719254272 1088914614 /nfs/dbraw/zinc/91/46/14/1088914614.db2.gz UKDNXYVHTNIPKX-GFCCVEGCSA-N 1 0 316.268 2.399 10 0 DEAERO CO[C@@]1(C[NH2+]C2CCN(CC(F)(F)F)CC2)CCSC1 ZINC000719327697 1088955188 /nfs/dbraw/zinc/95/51/88/1088955188.db2.gz WNYOCXNALPWREH-GFCCVEGCSA-N 1 0 312.401 2.125 10 0 DEAERO CCOC[C@@H](O)C[N@H+](C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000720038403 1089428526 /nfs/dbraw/zinc/42/85/26/1089428526.db2.gz SRSOKNSDGQXOEL-OALUTQOASA-N 1 0 320.477 2.370 10 0 DEAERO [NH3+][C@H]1CN(C(=O)c2ccc(Cl)nc2)CC[C@H]1C(F)(F)F ZINC000717056228 1092516990 /nfs/dbraw/zinc/51/69/90/1092516990.db2.gz AVZKEEQQBDZTKX-BDAKNGLRSA-N 1 0 307.703 2.087 10 0 DEAERO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccn3)cc2)CC1 ZINC000074724115 185012884 /nfs/dbraw/zinc/01/28/84/185012884.db2.gz ZAJCHCSLDHZAOR-UHFFFAOYSA-N 1 0 310.401 2.015 10 0 DEAERO CCC(C)(C)[C@@H]1CC[C@H]([NH2+]C)[C@H](Sc2n[nH]c(=O)n2C)C1 ZINC000081880617 192334007 /nfs/dbraw/zinc/33/40/07/192334007.db2.gz NWOKJKLZROGCRT-GRYCIOLGSA-N 1 0 312.483 2.393 10 0 DEAERO CC[NH2+][C@@H](c1ccccc1)[C@H](C)Sc1n[nH]c(=O)n1CC ZINC000081879733 192334383 /nfs/dbraw/zinc/33/43/83/192334383.db2.gz ALBJNKNXZDZBRL-WCQYABFASA-N 1 0 306.435 2.423 10 0 DEAERO CC[NH2+][C@H](c1ccccc1)[C@H](C)Sc1n[nH]c(=O)n1CC ZINC000081879734 192334533 /nfs/dbraw/zinc/33/45/33/192334533.db2.gz ALBJNKNXZDZBRL-AAEUAGOBSA-N 1 0 306.435 2.423 10 0 DEAERO C[NH2+][C@H]1CCOC[C@@H]1Sc1ncccc1Br ZINC000081894335 192334658 /nfs/dbraw/zinc/33/46/58/192334658.db2.gz RMBYDWGUMZWGGX-UWVGGRQHSA-N 1 0 303.225 2.313 10 0 DEAERO CCn1c(SC[C@H]([NH3+])c2c(C)cc(C)cc2C)n[nH]c1=O ZINC000081879884 192334766 /nfs/dbraw/zinc/33/47/66/192334766.db2.gz QWQNVUANDOJFRS-LBPRGKRZSA-N 1 0 306.435 2.309 10 0 DEAERO Cc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)COC[C@@H]2CCCO2)cc1 ZINC000151136005 282111620 /nfs/dbraw/zinc/11/16/20/282111620.db2.gz KELJTUFEMOEOBL-WDSOQIARSA-N 1 0 321.461 2.414 10 0 DEAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)N1CC[C@@H]2CCCC[C@H]21 ZINC000162716549 197586719 /nfs/dbraw/zinc/58/67/19/197586719.db2.gz JUBCLRVDMOSTMS-SOUVJXGZSA-N 1 0 300.468 2.113 10 0 DEAERO COc1ccc([C@@H]([NH3+])CS(=O)(=O)c2ccccc2F)cc1 ZINC000081922803 192340231 /nfs/dbraw/zinc/34/02/31/192340231.db2.gz ZZVFCUPFZQZKGI-AWEZNQCLSA-N 1 0 309.362 2.308 10 0 DEAERO COCC[NH2+]CC/C=C(/C)c1c(Br)cnn1C ZINC000163545734 197637712 /nfs/dbraw/zinc/63/77/12/197637712.db2.gz LMCZKZUESIFEEQ-YHYXMXQVSA-N 1 0 302.216 2.212 10 0 DEAERO CC[NH2+][C@@H](C)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936219 192342707 /nfs/dbraw/zinc/34/27/07/192342707.db2.gz NKBKQSGCEGLLCR-LBPRGKRZSA-N 1 0 313.419 2.010 10 0 DEAERO CC[C@@H]([NH2+]C)[C@@H](C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000081936069 192342831 /nfs/dbraw/zinc/34/28/31/192342831.db2.gz CTNATFLGWRTPKR-DGCLKSJQSA-N 1 0 313.419 2.008 10 0 DEAERO CCc1cccc(CC(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)c1 ZINC000152390751 282143620 /nfs/dbraw/zinc/14/36/20/282143620.db2.gz VUYSBXFAWAUYPO-GOSISDBHSA-N 1 0 318.461 2.361 10 0 DEAERO CC(C)[C@H]([NH3+])[C@@H](CO)Sc1ncccc1Br ZINC000164658873 197660345 /nfs/dbraw/zinc/66/03/45/197660345.db2.gz OJBIRFSKLPWKMG-ZJUUUORDSA-N 1 0 305.241 2.280 10 0 DEAERO C[C@H]([NH2+]Cc1c(Br)cnn1C)[C@H]1CCCCO1 ZINC000278622898 214282874 /nfs/dbraw/zinc/28/28/74/214282874.db2.gz DVZDFJYZASVWCQ-JOYOIKCWSA-N 1 0 302.216 2.230 10 0 DEAERO CC[C@@H]1CN(Cc2ccc(C)c(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000193899855 529396774 /nfs/dbraw/zinc/39/67/74/529396774.db2.gz PUPBXGWBNMQRMM-NVXWUHKLSA-N 1 0 306.450 2.281 10 0 DEAERO CC[C@@H](C)[C@@H](NC(=O)CC[C@@H](CC[NH3+])C(C)C)C(=O)OC ZINC000079276426 185162963 /nfs/dbraw/zinc/16/29/63/185162963.db2.gz UYYSOLNSFJPKMX-VNHYZAJKSA-N 1 0 300.443 2.092 10 0 DEAERO COCCN(CC[NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000164937349 197666799 /nfs/dbraw/zinc/66/67/99/197666799.db2.gz VIDQAYVJZYAZSF-UHFFFAOYSA-N 1 0 305.300 2.144 10 0 DEAERO CC[NH2+][C@@](C)(CO)CSc1ncccc1Br ZINC000082905375 185209592 /nfs/dbraw/zinc/20/95/92/185209592.db2.gz JDGYWYHKYZUKHN-NSHDSACASA-N 1 0 305.241 2.297 10 0 DEAERO C[C@@H](CNC(=O)N1CCC[C@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC000171696884 282181171 /nfs/dbraw/zinc/18/11/71/282181171.db2.gz YNPUFKWUQYKNFF-QWRGUYRKSA-N 1 0 307.360 2.453 10 0 DEAERO C[C@H](CNC(=O)N1CCC[C@@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC000171696900 282181239 /nfs/dbraw/zinc/18/12/39/282181239.db2.gz YNPUFKWUQYKNFF-GHMZBOCLSA-N 1 0 307.360 2.453 10 0 DEAERO CCOC(=O)Cc1nc(CC2CC[NH+](C)CC2)n2ccccc12 ZINC000087493495 185226835 /nfs/dbraw/zinc/22/68/35/185226835.db2.gz MXABHHUWLBKMGT-UHFFFAOYSA-N 1 0 315.417 2.324 10 0 DEAERO CCC[C@@H](C[NH3+])NC(=O)c1ccc(Br)cc1O ZINC000087387675 185223262 /nfs/dbraw/zinc/22/32/62/185223262.db2.gz BMROZAUAPTUXGW-VIFPVBQESA-N 1 0 301.184 2.012 10 0 DEAERO CC[C@@H](C[NH3+])Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000087386642 185223289 /nfs/dbraw/zinc/22/32/89/185223289.db2.gz LQZJPHPNUNVOQG-QMMMGPOBSA-N 1 0 314.304 2.268 10 0 DEAERO CCC[C@H](C[NH3+])NC(=O)c1ccc(Br)cc1O ZINC000087387676 185223343 /nfs/dbraw/zinc/22/33/43/185223343.db2.gz BMROZAUAPTUXGW-SECBINFHSA-N 1 0 301.184 2.012 10 0 DEAERO CCC[C@@H](C[NH3+])NC(=O)c1cc(Br)cn1C1CC1 ZINC000087387646 185223349 /nfs/dbraw/zinc/22/33/49/185223349.db2.gz KKSJPWPHWUPFAS-JTQLQIEISA-N 1 0 314.227 2.443 10 0 DEAERO COc1ccc(C(=O)N[C@H](C[NH3+])C(C)C)cc1Br ZINC000087403430 185223967 /nfs/dbraw/zinc/22/39/67/185223967.db2.gz NOZWEVTYDHUVGL-LLVKDONJSA-N 1 0 315.211 2.171 10 0 DEAERO COc1ccc(C[C@H]([NH3+])c2ccn(C)n2)cc1Br ZINC000087424185 185224267 /nfs/dbraw/zinc/22/42/67/185224267.db2.gz NUFGYPFBOKFOHN-NSHDSACASA-N 1 0 310.195 2.434 10 0 DEAERO CCCc1nnsc1C(=O)N1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000087455623 185225569 /nfs/dbraw/zinc/22/55/69/185225569.db2.gz RXRKJQJOZDBAMU-GFCCVEGCSA-N 1 0 310.467 2.341 10 0 DEAERO COC1([C@H]([NH3+])[C@@H]2CCOC3(CCSCC3)C2)CCOCC1 ZINC000165400783 197675042 /nfs/dbraw/zinc/67/50/42/197675042.db2.gz JFHUHXBIIHOTNT-ZIAGYGMSSA-N 1 0 315.479 2.202 10 0 DEAERO CC(C)[C@H](C[NH3+])C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000087519953 185227662 /nfs/dbraw/zinc/22/76/62/185227662.db2.gz YOPFIWWRAPRHPK-JTQLQIEISA-N 1 0 307.785 2.090 10 0 DEAERO COc1ccc(Br)c(C[C@H]([NH3+])c2ccncn2)c1 ZINC000087795548 185232170 /nfs/dbraw/zinc/23/21/70/185232170.db2.gz IMHLESGUYCBLRR-LBPRGKRZSA-N 1 0 308.179 2.490 10 0 DEAERO COc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173189392 282189060 /nfs/dbraw/zinc/18/90/60/282189060.db2.gz KCKNTWQRPAWTBM-UKRRQHHQSA-N 1 0 305.422 2.319 10 0 DEAERO C[NH2+][C@@H](Cc1cc(OC)ccc1Br)c1nnc[nH]1 ZINC000087879014 185234421 /nfs/dbraw/zinc/23/44/21/185234421.db2.gz HLXPAKZEIAPYPG-NSHDSACASA-N 1 0 311.183 2.079 10 0 DEAERO C[NH2+][C@H](Cc1ccc(OC)c(Br)c1)c1nnc[nH]1 ZINC000087879297 185234522 /nfs/dbraw/zinc/23/45/22/185234522.db2.gz UQSNZSQJSKYRFD-SNVBAGLBSA-N 1 0 311.183 2.079 10 0 DEAERO CC[NH2+]C[C@H](C)[C@@H](C)n1cc(I)cn1 ZINC000087949617 185237646 /nfs/dbraw/zinc/23/76/46/185237646.db2.gz FCWHEJMXBBAYPJ-DTWKUNHWSA-N 1 0 307.179 2.294 10 0 DEAERO COc1ccc(C[S@](=O)[C@@H](C)C[NH3+])cc1Br ZINC000088067953 185238750 /nfs/dbraw/zinc/23/87/50/185238750.db2.gz DGPOCHQRDHXTKR-ZKANADHPSA-N 1 0 306.225 2.054 10 0 DEAERO CC(C)([NH3+])CS(=O)(=O)Cc1cccc(Br)c1 ZINC000088072419 185238906 /nfs/dbraw/zinc/23/89/06/185238906.db2.gz DVUZNBAWBVXXPJ-UHFFFAOYSA-N 1 0 306.225 2.101 10 0 DEAERO CN1C[C@H](n2c(N)[nH+]c3ccc(Br)cc32)CCC1=O ZINC000087837737 185233103 /nfs/dbraw/zinc/23/31/03/185233103.db2.gz KPTJFCGTFPZDCW-SECBINFHSA-N 1 0 323.194 2.174 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Br)cc1F)[C@@H]1COCCO1 ZINC000087857556 185233678 /nfs/dbraw/zinc/23/36/78/185233678.db2.gz DJGBLSOTWDTMOV-OLZOCXBDSA-N 1 0 318.186 2.134 10 0 DEAERO CC(C)CN(c1nc(NN)[nH+]cc1Br)C(C)C ZINC000087866756 185233988 /nfs/dbraw/zinc/23/39/88/185233988.db2.gz IRSPZQZTEFIFJZ-UHFFFAOYSA-N 1 0 302.220 2.396 10 0 DEAERO CCc1cnc(CCNC(=O)NC[C@@H]2CCC[N@H+]2CC)s1 ZINC000175365189 282194997 /nfs/dbraw/zinc/19/49/97/282194997.db2.gz NDPOWNFBYJAGDX-LBPRGKRZSA-N 1 0 310.467 2.032 10 0 DEAERO CCS(=O)(=O)CCCOc1cccc2c1CCC[C@@H]2[NH2+]C ZINC000088151573 185240613 /nfs/dbraw/zinc/24/06/13/185240613.db2.gz QBXAPAPNFHLNSU-HNNXBMFYSA-N 1 0 311.447 2.487 10 0 DEAERO [NH3+]C[C@H]1CC(=O)N(c2c(F)cc(Br)cc2F)C1 ZINC000088172837 185240904 /nfs/dbraw/zinc/24/09/04/185240904.db2.gz JKKQVVAWVNQUPV-ZCFIWIBFSA-N 1 0 305.122 2.039 10 0 DEAERO C[NH+](C)C[C@@H](O)CNc1c(F)cc(Br)cc1F ZINC000088170824 185241052 /nfs/dbraw/zinc/24/10/52/185241052.db2.gz GWTVWVPVYWYCDT-QMMMGPOBSA-N 1 0 309.154 2.062 10 0 DEAERO CO[C@H](c1noc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1)C1CC1 ZINC000328884507 231375659 /nfs/dbraw/zinc/37/56/59/231375659.db2.gz NWJKCDQGOBJQSH-KBPBESRZSA-N 1 0 307.394 2.483 10 0 DEAERO CCc1ccc(C[NH2+]C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H]1C ZINC000165698065 197680202 /nfs/dbraw/zinc/68/02/02/197680202.db2.gz ZEBSJASNAAGFER-STQMWFEESA-N 1 0 310.463 2.387 10 0 DEAERO C[C@@H](C[NH3+])C[S@@](=O)Cc1ccc(F)c(Br)c1 ZINC000088089981 185239656 /nfs/dbraw/zinc/23/96/56/185239656.db2.gz ZYATWQLYIJNOSZ-PWJLMRLQSA-N 1 0 308.216 2.432 10 0 DEAERO Nc1cc(F)ccc1SC[C@@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000088398455 185248434 /nfs/dbraw/zinc/24/84/34/185248434.db2.gz FVEBESVHDIKCPY-UKRRQHHQSA-N 1 0 306.406 2.431 10 0 DEAERO CC(C)(CC[NH3+])CCC(=O)Nc1cnc(Br)cn1 ZINC000088446417 185251198 /nfs/dbraw/zinc/25/11/98/185251198.db2.gz COSHCYXUWCIDRM-UHFFFAOYSA-N 1 0 315.215 2.333 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC)o1 ZINC000088543656 185256837 /nfs/dbraw/zinc/25/68/37/185256837.db2.gz VKKXHQRAKYZKMI-GFCCVEGCSA-N 1 0 300.424 2.342 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)CC)o1 ZINC000088551585 185257336 /nfs/dbraw/zinc/25/73/36/185257336.db2.gz LUXKMLPYWMSVCA-NEPJUHHUSA-N 1 0 302.440 2.492 10 0 DEAERO C[C@H]1CCCCC[C@H]1NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000088516015 185254579 /nfs/dbraw/zinc/25/45/79/185254579.db2.gz DJKKRIPAYXBIJQ-DZGCQCFKSA-N 1 0 302.484 2.264 10 0 DEAERO CCC1CCC([NH2+]Cc2ccc(S(=O)(=O)NC)o2)CC1 ZINC000088540459 185255672 /nfs/dbraw/zinc/25/56/72/185255672.db2.gz OWZUDQSMYNAQJQ-UHFFFAOYSA-N 1 0 300.424 2.246 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)CCCOC)c1cc(C)ccc1C ZINC000081986494 192348964 /nfs/dbraw/zinc/34/89/64/192348964.db2.gz LQAWGJDFFHECCF-INIZCTEOSA-N 1 0 313.463 2.405 10 0 DEAERO CCc1ccc([C@H]([NH2+]C)[C@H](C)S(=O)(=O)CCCOC)cc1 ZINC000081986314 192348981 /nfs/dbraw/zinc/34/89/81/192348981.db2.gz PFFAJXSVXWGWIW-XJKSGUPXSA-N 1 0 313.463 2.349 10 0 DEAERO CCC[NH2+][C@H]1CCC(C)(C)C[C@H]1S(=O)(=O)CCCOC ZINC000081985625 192349146 /nfs/dbraw/zinc/34/91/46/192349146.db2.gz CXMJUGZNMRHXBY-UONOGXRCSA-N 1 0 305.484 2.385 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCC(C)(C)C2)o1 ZINC000088551216 185257553 /nfs/dbraw/zinc/25/75/53/185257553.db2.gz XSIGNAHOSKKPFA-UHFFFAOYSA-N 1 0 300.424 2.200 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]2C)o1 ZINC000088551223 185257659 /nfs/dbraw/zinc/25/76/59/185257659.db2.gz ZZNBSNZWIWTOLQ-LBPRGKRZSA-N 1 0 300.424 2.342 10 0 DEAERO Cc1ccc2c(N)c(C(=O)NCCC[NH2+]C3CC3)sc2n1 ZINC000088641309 185260814 /nfs/dbraw/zinc/26/08/14/185260814.db2.gz KPNGJXBYZMIJQM-UHFFFAOYSA-N 1 0 304.419 2.059 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2F)cc1 ZINC000088721058 185263381 /nfs/dbraw/zinc/26/33/81/185263381.db2.gz GAKMXFAYNXYRAX-UHFFFAOYSA-N 1 0 316.304 2.363 10 0 DEAERO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000088776114 185265369 /nfs/dbraw/zinc/26/53/69/185265369.db2.gz JJUQAFAJISYETL-KWQFWETISA-N 1 0 300.280 2.113 10 0 DEAERO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C(N)=S)cc1 ZINC000088837011 185266974 /nfs/dbraw/zinc/26/69/74/185266974.db2.gz LNPRINWJEXWSJE-AWEZNQCLSA-N 1 0 305.447 2.380 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2CC[C@H]1S(=O)(=O)CCCOC ZINC000081986165 192349825 /nfs/dbraw/zinc/34/98/25/192349825.db2.gz YRUUUTKNXHGDNM-HZPDHXFCSA-N 1 0 311.447 2.103 10 0 DEAERO C[NH2+][C@@H](CS(=O)(=O)CCCOC)c1c(C)cc(C)cc1C ZINC000081986120 192349918 /nfs/dbraw/zinc/34/99/18/192349918.db2.gz IBNMRZXGVCLMEQ-HNNXBMFYSA-N 1 0 313.463 2.324 10 0 DEAERO Cc1c([C@@H](C)[NH2+][C@H]2CCN(C)C2=O)cnn1-c1ccc(F)cc1 ZINC000090074621 185280999 /nfs/dbraw/zinc/28/09/99/185280999.db2.gz SAGUDYHUDOXRNB-BZNIZROVSA-N 1 0 316.380 2.201 10 0 DEAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081990486 192351162 /nfs/dbraw/zinc/35/11/62/192351162.db2.gz NTUIZPBNIKXCAM-BPUTZDHNSA-N 1 0 317.495 2.383 10 0 DEAERO CCc1ccc([C@@H]([NH3+])[C@@H](C)S(=O)(=O)C2CCOCC2)cc1 ZINC000081989762 192351230 /nfs/dbraw/zinc/35/12/30/192351230.db2.gz AAISSSNPYWDYSA-WBMJQRKESA-N 1 0 311.447 2.231 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)nn1[C@H](C)C1CC1 ZINC000329394238 231519682 /nfs/dbraw/zinc/51/96/82/231519682.db2.gz WNRVHYMDHULLKI-BPLDGKMQSA-N 1 0 304.438 2.375 10 0 DEAERO CCN(C(=O)c1cc(Br)cn1C1CC1)C1C[NH2+]C1 ZINC000090291249 185289555 /nfs/dbraw/zinc/28/95/55/185289555.db2.gz MTDHHOVHQXYABZ-UHFFFAOYSA-N 1 0 312.211 2.019 10 0 DEAERO CCCN(Cc1ccc(OC)c(OC(F)F)c1)C1C[NH2+]C1 ZINC000090292613 185289603 /nfs/dbraw/zinc/28/96/03/185289603.db2.gz UWOFTZZGWAXTRJ-UHFFFAOYSA-N 1 0 300.349 2.480 10 0 DEAERO C[C@@H](c1ccccc1Br)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308277 185290139 /nfs/dbraw/zinc/29/01/39/185290139.db2.gz ZMDIMINGKHDJIX-LBPRGKRZSA-N 1 0 324.266 2.100 10 0 DEAERO C[C@@H](c1cccc(Br)c1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306263 185290345 /nfs/dbraw/zinc/29/03/45/185290345.db2.gz WTSOJSJLWOXDNC-LBPRGKRZSA-N 1 0 324.266 2.100 10 0 DEAERO CCN([C@@H](C[NH3+])c1cncc(Br)c1)[C@@H](C)COC ZINC000166123125 197688077 /nfs/dbraw/zinc/68/80/77/197688077.db2.gz AMKKACHJMOEHFO-GWCFXTLKSA-N 1 0 316.243 2.201 10 0 DEAERO Cc1cc(Br)ccc1C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000090325621 185291122 /nfs/dbraw/zinc/29/11/22/185291122.db2.gz SPVBNJQZEJOBHE-COPLHBTASA-N 1 0 323.234 2.437 10 0 DEAERO CC[C@H]([NH3+])CSCC(=O)Nc1ccc(Br)cn1 ZINC000090356714 185292397 /nfs/dbraw/zinc/29/23/97/185292397.db2.gz JLQIYESMTKZLAH-VIFPVBQESA-N 1 0 318.240 2.253 10 0 DEAERO CN(Cc1ccc(Br)cc1)[C@@H](C[NH3+])c1cncn1C ZINC000090167501 185284662 /nfs/dbraw/zinc/28/46/62/185284662.db2.gz ZYFJHXMEUOZLSH-ZDUSSCGKSA-N 1 0 323.238 2.314 10 0 DEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000090489893 185299000 /nfs/dbraw/zinc/29/90/00/185299000.db2.gz IJUATEWNCQAGNM-RISCZKNCSA-N 1 0 314.788 2.062 10 0 DEAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000090379192 185293780 /nfs/dbraw/zinc/29/37/80/185293780.db2.gz ZRDGCLNFWHXERL-XCBNKYQSSA-N 1 0 308.687 2.271 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1c1nnc2c(Cl)cc(C(F)(F)F)cn21 ZINC000090422871 185295255 /nfs/dbraw/zinc/29/52/55/185295255.db2.gz NSMFZTCINKYEPI-IONNQARKSA-N 1 0 320.702 2.103 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)N(Cc1cccc(Cl)c1)C(C)C ZINC000090435002 185296287 /nfs/dbraw/zinc/29/62/87/185296287.db2.gz QKZPMXMQCMRHLV-GJZGRUSLSA-N 1 0 310.825 2.311 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1c2ncsc2ccc1Cl ZINC000090432865 185296351 /nfs/dbraw/zinc/29/63/51/185296351.db2.gz FSAASTYZGUFZJV-APPZFPTMSA-N 1 0 311.794 2.123 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(Cl)c3cccnc23)COC[C@@H]1[NH3+] ZINC000090589701 185305449 /nfs/dbraw/zinc/30/54/49/185305449.db2.gz MTZFWSUPRIBARV-SWLSCSKDSA-N 1 0 305.765 2.191 10 0 DEAERO C[C@@]1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)COC[C@@H]1[NH3+] ZINC000090599241 185305965 /nfs/dbraw/zinc/30/59/65/185305965.db2.gz FRHSYZLNQRFVGS-GXFFZTMASA-N 1 0 320.723 2.244 10 0 DEAERO CN(Cc1csc(Br)c1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606847 185306336 /nfs/dbraw/zinc/30/63/36/185306336.db2.gz PUWPPMCCVUAZQS-JQWIXIFHSA-N 1 0 319.268 2.306 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000090542029 185301850 /nfs/dbraw/zinc/30/18/50/185301850.db2.gz JUFBMIFDUHRGCZ-RRFJBIMHSA-N 1 0 308.447 2.426 10 0 DEAERO COC(=O)C1CCC(C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000179459286 282226242 /nfs/dbraw/zinc/22/62/42/282226242.db2.gz LMKPOFBEWQEGLO-UHFFFAOYSA-N 1 0 322.449 2.053 10 0 DEAERO CCC[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)CC(=O)OC(C)(C)C ZINC000166864914 197700048 /nfs/dbraw/zinc/70/00/48/197700048.db2.gz RWLVVGLRXGSBMN-QWHCGFSZSA-N 1 0 319.467 2.054 10 0 DEAERO CN(C)c1cccc(C(=O)N2CCCSC[C@H]2C[NH+](C)C)c1 ZINC000090700134 185310507 /nfs/dbraw/zinc/31/05/07/185310507.db2.gz ZISVBQJQWZTTAJ-MRXNPFEDSA-N 1 0 321.490 2.262 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)CCC2 ZINC000092384057 185315315 /nfs/dbraw/zinc/31/53/15/185315315.db2.gz ZBYPNIFRJWBIJJ-CJNGLKHVSA-N 1 0 309.431 2.239 10 0 DEAERO CCNc1cc[nH+]c(COc2ccc(S(C)(=O)=O)cc2)c1 ZINC000092420503 185317276 /nfs/dbraw/zinc/31/72/76/185317276.db2.gz SORAAQQOIUPNBN-UHFFFAOYSA-N 1 0 306.387 2.496 10 0 DEAERO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000180238641 282236068 /nfs/dbraw/zinc/23/60/68/282236068.db2.gz ONRGMRSDCFEJLH-ILXRZTDVSA-N 1 0 311.470 2.316 10 0 DEAERO CCC[NH2+]Cc1c(Cl)cccc1N1C[C@H](CO)OC[C@@H]1C ZINC000167310380 197706683 /nfs/dbraw/zinc/70/66/83/197706683.db2.gz KGUFHZPPPWVEEY-QWHCGFSZSA-N 1 0 312.841 2.426 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnc(NC)c(Cl)c1 ZINC000092674758 185333147 /nfs/dbraw/zinc/33/31/47/185333147.db2.gz YXRYCUXYLIBREX-GFCCVEGCSA-N 1 0 310.829 2.333 10 0 DEAERO CCS(=O)(=O)CCC[C@H](Cc1c(F)cccc1F)[NH2+]C ZINC000167545459 197710745 /nfs/dbraw/zinc/71/07/45/197710745.db2.gz HEBLIGFXPUJOSV-LLVKDONJSA-N 1 0 305.390 2.310 10 0 DEAERO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)ccc1F ZINC000092825430 185344401 /nfs/dbraw/zinc/34/44/01/185344401.db2.gz TUTZKGVDCUKMKV-ZYHUDNBSSA-N 1 0 301.383 2.062 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](S(=O)(=O)c1cccs1)C2 ZINC000092859144 185346820 /nfs/dbraw/zinc/34/68/20/185346820.db2.gz LARLLJXLFZUQKO-GXTWGEPZSA-N 1 0 309.412 2.155 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](Sc1nc(C)cc(=O)[nH]1)C2 ZINC000092860560 185347077 /nfs/dbraw/zinc/34/70/77/185347077.db2.gz VHLXWLVACGCFJW-TZMCWYRMSA-N 1 0 303.387 2.216 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(Br)ccc1F ZINC000092956114 185350285 /nfs/dbraw/zinc/35/02/85/185350285.db2.gz LZPQFLVOBCXGRY-GZMMTYOYSA-N 1 0 315.186 2.202 10 0 DEAERO [NH3+]CCOc1ccc(NC(=O)C[C@@H]2CSCCS2)cc1 ZINC000181422683 199294984 /nfs/dbraw/zinc/29/49/84/199294984.db2.gz LZBBGJJJMJDDPR-CYBMUJFWSA-N 1 0 312.460 2.201 10 0 DEAERO C[N@H+](CCNC(=O)NC[C@@H]1CCC(C)(C)O1)Cc1ccccc1 ZINC000186387403 282274573 /nfs/dbraw/zinc/27/45/73/282274573.db2.gz CEIBHUNGCJBJFA-INIZCTEOSA-N 1 0 319.449 2.375 10 0 DEAERO CCCNC(=O)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256207 539344548 /nfs/dbraw/zinc/34/45/48/539344548.db2.gz GMUNUKBPUXVCEJ-KRWDZBQOSA-N 1 0 324.428 2.372 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1sccc1Br ZINC000070680149 539345068 /nfs/dbraw/zinc/34/50/68/539345068.db2.gz UWLIFIBNDZHBIB-YUMQZZPRSA-N 1 0 303.225 2.440 10 0 DEAERO CC[NH+](CC)CC(=O)NCCc1cn(C)c2cc(C)ccc12 ZINC000188438169 282300496 /nfs/dbraw/zinc/30/04/96/282300496.db2.gz YZFOKTBIORABEH-UHFFFAOYSA-N 1 0 301.434 2.487 10 0 DEAERO C[C@H]1C[C@@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000103182581 185437057 /nfs/dbraw/zinc/43/70/57/185437057.db2.gz DCDBCWBFVUFGBF-BBRMVZONSA-N 1 0 305.422 2.225 10 0 DEAERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CCCF)CC1 ZINC000190356232 282318555 /nfs/dbraw/zinc/31/85/55/282318555.db2.gz INYBXFQCGANFFJ-UHFFFAOYSA-N 1 0 302.434 2.474 10 0 DEAERO CS[C@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@@H]1[NH+]1CCCC1 ZINC000614279331 362338162 /nfs/dbraw/zinc/33/81/62/362338162.db2.gz VBQZMBPXCWWLCG-GJZGRUSLSA-N 1 0 307.463 2.283 10 0 DEAERO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)CC1(O)CCOCC1 ZINC000188834264 529975200 /nfs/dbraw/zinc/97/52/00/529975200.db2.gz YIWHMTHVIYQQTB-UHFFFAOYSA-N 1 0 301.390 2.050 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](COc2ccc(F)cc2Br)O1 ZINC000052651763 190682747 /nfs/dbraw/zinc/68/27/47/190682747.db2.gz VVJZTTAQAFSUGA-NXEZZACHSA-N 1 0 304.159 2.473 10 0 DEAERO CN(Cc1nccs1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328656546 530028751 /nfs/dbraw/zinc/02/87/51/530028751.db2.gz ZLOWISRZQNTAFS-XJKSGUPXSA-N 1 0 319.478 2.392 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1Br ZINC000194696992 530063626 /nfs/dbraw/zinc/06/36/26/530063626.db2.gz SRWPUXMNVSIJMF-QMMMGPOBSA-N 1 0 303.225 2.335 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193831773 282358643 /nfs/dbraw/zinc/35/86/43/282358643.db2.gz PAJHKJAEGFUWQY-BPQIPLTHSA-N 1 0 316.445 2.297 10 0 DEAERO C[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1cc(F)ccc1F ZINC000090947881 539418459 /nfs/dbraw/zinc/41/84/59/539418459.db2.gz BUYPIEVIVUEJPC-MRVPVSSYSA-N 1 0 311.357 2.414 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245429649 282387224 /nfs/dbraw/zinc/38/72/24/282387224.db2.gz NFHDHKBGPIMNMX-ZACQAIPSSA-N 1 0 307.482 2.336 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000245433268 282387918 /nfs/dbraw/zinc/38/79/18/282387918.db2.gz PPSCZMYYISXHFA-CZUORRHYSA-N 1 0 320.481 2.158 10 0 DEAERO Cc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H]2CCCC[C@H]2O)cc1 ZINC000245540519 282396097 /nfs/dbraw/zinc/39/60/97/282396097.db2.gz IKFCPLQSWDBKHI-JFIYKMOQSA-N 1 0 307.434 2.218 10 0 DEAERO CN1C(=O)C[C@H]([NH2+]Cc2cncnc2)[C@H]1c1ccc(Cl)cc1 ZINC000125224798 539471980 /nfs/dbraw/zinc/47/19/80/539471980.db2.gz WRMKKOJMVFVDEL-GOEBONIOSA-N 1 0 316.792 2.192 10 0 DEAERO O=C(N(CC(F)(F)F)C1CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246480 185563557 /nfs/dbraw/zinc/56/35/57/185563557.db2.gz BOWABAPNENXKKS-VIFPVBQESA-N 1 0 304.234 2.082 10 0 DEAERO CCCN(CC(F)(F)F)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244953 185562938 /nfs/dbraw/zinc/56/29/38/185562938.db2.gz WJEJDQCJEFQOTD-SECBINFHSA-N 1 0 306.250 2.329 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(Br)ccc1F ZINC000111271729 185569987 /nfs/dbraw/zinc/56/99/87/185569987.db2.gz VELSSUMRFNZPKY-KCJUWKMLSA-N 1 0 315.186 2.060 10 0 DEAERO C[C@@H]([NH3+])Cc1ccc(N2CCN(c3nccs3)CC2)cc1 ZINC000111488279 185608489 /nfs/dbraw/zinc/60/84/89/185608489.db2.gz XONOKIOBELMHHZ-CYBMUJFWSA-N 1 0 302.447 2.359 10 0 DEAERO COc1cc(OC)cc(OCCC[NH2+]Cc2cncnc2)c1 ZINC000151146332 539525872 /nfs/dbraw/zinc/52/58/72/539525872.db2.gz CCADFZBRAHNZKE-UHFFFAOYSA-N 1 0 303.362 2.053 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000111720591 185631284 /nfs/dbraw/zinc/63/12/84/185631284.db2.gz PHIKXYRCBYSICI-AWEZNQCLSA-N 1 0 314.426 2.367 10 0 DEAERO NC(=O)c1cc(Cl)ccc1NCCOC1CCC([NH3+])CC1 ZINC000111792892 185637483 /nfs/dbraw/zinc/63/74/83/185637483.db2.gz GGZMGBQIYUBIBF-UHFFFAOYSA-N 1 0 311.813 2.137 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000181847847 199362019 /nfs/dbraw/zinc/36/20/19/199362019.db2.gz UPFSOYQMDPUXCN-LBPRGKRZSA-N 1 0 318.343 2.050 10 0 DEAERO CCOc1cccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)n1 ZINC000615630882 362665427 /nfs/dbraw/zinc/66/54/27/362665427.db2.gz HOKAGIUYGTYMHR-BJJXKVORSA-N 1 0 304.390 2.254 10 0 DEAERO CC[NH2+]Cc1ccc(OC[C@H](O)COC)c(C(F)(F)F)c1 ZINC000069053978 190795216 /nfs/dbraw/zinc/79/52/16/190795216.db2.gz ILXJLWUZVSEWGQ-LLVKDONJSA-N 1 0 307.312 2.201 10 0 DEAERO C[NH2+][C@H](CCc1nccn1C)c1cncc(Br)c1 ZINC000123698174 185833942 /nfs/dbraw/zinc/83/39/42/185833942.db2.gz ODORHUMKKCPHGM-GFCCVEGCSA-N 1 0 309.211 2.471 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)OC[C@H]1CCCCO1 ZINC000249809089 282583759 /nfs/dbraw/zinc/58/37/59/282583759.db2.gz HFRLDXHXHXIIFG-BZUAXINKSA-N 1 0 314.470 2.053 10 0 DEAERO O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)[C@@H]1C[NH2+]CCO1 ZINC000163649269 539601328 /nfs/dbraw/zinc/60/13/28/539601328.db2.gz XFXRZLGSTKXTLD-INIZCTEOSA-N 1 0 322.368 2.157 10 0 DEAERO CO[C@@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[C@H]1C ZINC000251943396 282591521 /nfs/dbraw/zinc/59/15/21/282591521.db2.gz UVCRLQGKXJFOSB-RBSFLKMASA-N 1 0 313.486 2.419 10 0 DEAERO COC(=O)c1c(NC(=O)CCC(C)(C)[NH3+])sc2c1CCC2 ZINC000070088205 190858241 /nfs/dbraw/zinc/85/82/41/190858241.db2.gz VAIXIGNYIXCKKS-UHFFFAOYSA-N 1 0 310.419 2.479 10 0 DEAERO O[C@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000070121429 190859251 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[NH3+]CC[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1 ZINC000616681312 362908567 /nfs/dbraw/zinc/90/85/67/362908567.db2.gz UZMPZXDMYJFBEH-CYBMUJFWSA-N 1 0 317.414 2.025 10 0 DEAERO CCc1cc2c(ncnc2N2CCC(OCC[NH3+])CC2)s1 ZINC000129902978 185920335 /nfs/dbraw/zinc/92/03/35/185920335.db2.gz UFNALZFWMLBUJC-UHFFFAOYSA-N 1 0 306.435 2.198 10 0 DEAERO [NH3+][C@@H]1CCCN(c2ncccc2-c2nc(-c3cccnc3)no2)C1 ZINC000070458036 190897632 /nfs/dbraw/zinc/89/76/32/190897632.db2.gz JCRMBEUBJXEBLC-CYBMUJFWSA-N 1 0 322.372 2.121 10 0 DEAERO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000190390630 539694877 /nfs/dbraw/zinc/69/48/77/539694877.db2.gz AOOBEGIAPLYRON-DLBZAZTESA-N 1 0 308.466 2.166 10 0 DEAERO [NH3+]C[C@@H](NC[C@H]1CCCO1)c1ccc(Br)s1 ZINC000083774173 192382950 /nfs/dbraw/zinc/38/29/50/192382950.db2.gz KMQFJYVDTSCPCA-RKDXNWHRSA-N 1 0 305.241 2.279 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC([NH+](C)C)CC1 ZINC000193822265 539715334 /nfs/dbraw/zinc/71/53/34/539715334.db2.gz 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CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@H](C)CCOC)cc1 ZINC000081717769 192316525 /nfs/dbraw/zinc/31/65/25/192316525.db2.gz UQDNUUIPJRGTHA-CHWSQXEVSA-N 1 0 314.451 2.060 10 0 DEAERO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000177219091 295930223 /nfs/dbraw/zinc/93/02/23/295930223.db2.gz BPZHAYCRTPLQDF-HOTGVXAUSA-N 1 0 314.433 2.244 10 0 DEAERO CCC[C@H]([NH3+])C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000236964726 202097880 /nfs/dbraw/zinc/09/78/80/202097880.db2.gz DARGBVHUYWFHMO-QMMMGPOBSA-N 1 0 307.375 2.133 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1nc(Br)cs1 ZINC000086291114 192560155 /nfs/dbraw/zinc/56/01/55/192560155.db2.gz XSWIWNRMQXTECU-HRDYMLBCSA-N 1 0 302.241 2.340 10 0 DEAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N(CC)Cc1ccccc1 ZINC000385934447 356693278 /nfs/dbraw/zinc/69/32/78/356693278.db2.gz VHEAZUQQOWAGQD-DLBZAZTESA-N 1 0 304.434 2.128 10 0 DEAERO OCCN1CCC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000384276769 356682517 /nfs/dbraw/zinc/68/25/17/356682517.db2.gz ALJCFOOMDJWVEO-LLVKDONJSA-N 1 0 319.268 2.057 10 0 DEAERO CN(C)c1ccc([C@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000409421946 356736467 /nfs/dbraw/zinc/73/64/67/356736467.db2.gz AEXFTXSFDBNRHA-HUUCEWRRSA-N 1 0 305.422 2.333 10 0 DEAERO CC(C)(C)C1CCC(C[NH3+])(O[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000086713645 192595938 /nfs/dbraw/zinc/59/59/38/192595938.db2.gz BIXXXYZDZKCLIT-JVWICGRDSA-N 1 0 303.468 2.124 10 0 DEAERO CN(Cc1ccccc1)[C@@H](C[NH2+]C[C@H](O)C(F)(F)F)C1CC1 ZINC000578642408 356849917 /nfs/dbraw/zinc/84/99/17/356849917.db2.gz FHYLNYDMADVDJG-GJZGRUSLSA-N 1 0 316.367 2.410 10 0 DEAERO CN(Cc1ccccc1)[C@@H](C[NH2+]C[C@@H](O)C(F)(F)F)C1CC1 ZINC000578642410 356849964 /nfs/dbraw/zinc/84/99/64/356849964.db2.gz FHYLNYDMADVDJG-LSDHHAIUSA-N 1 0 316.367 2.410 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3nccnc3C)[C@@H]2C1 ZINC000579400815 356968807 /nfs/dbraw/zinc/96/88/07/356968807.db2.gz ALDFCKCIURPGDH-BVUBDWEXSA-N 1 0 302.422 2.083 10 0 DEAERO CCC[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(CC)CC(C)C 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Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000180189887 199128245 /nfs/dbraw/zinc/12/82/45/199128245.db2.gz UEFKTICFONUSDA-SJLPKXTDSA-N 1 0 312.417 2.062 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(CC(C)C)[nH]c(=O)c2)C1 ZINC000180278898 199140745 /nfs/dbraw/zinc/14/07/45/199140745.db2.gz UBWVJOCSLDOZHF-CQSZACIVSA-N 1 0 305.422 2.200 10 0 DEAERO COC(=O)C1CCC(C(=O)Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000180328754 199146348 /nfs/dbraw/zinc/14/63/48/199146348.db2.gz QEYBZBCOWWYINQ-UHFFFAOYSA-N 1 0 319.405 2.061 10 0 DEAERO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(C)n1 ZINC000180566262 199177236 /nfs/dbraw/zinc/17/72/36/199177236.db2.gz NMDVTPAIZLBNLM-DLBZAZTESA-N 1 0 310.401 2.269 10 0 DEAERO CC(C)(C)c1ccc(C[NH2+]CCCN2CCCS2(=O)=O)cc1 ZINC000596676495 358738391 /nfs/dbraw/zinc/73/83/91/358738391.db2.gz SPWIYKBKJJEOLZ-UHFFFAOYSA-N 1 0 324.490 2.499 10 0 DEAERO CCC[NH2+]CCCS(=O)(=O)N1CCC(C(C)(C)C)CC1 ZINC000089021562 192702365 /nfs/dbraw/zinc/70/23/65/192702365.db2.gz RFMKCSLJOMEPGU-UHFFFAOYSA-N 1 0 304.500 2.464 10 0 DEAERO CCN([C@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1C ZINC000089115179 192730032 /nfs/dbraw/zinc/73/00/32/192730032.db2.gz AKYCJODQRQMSFP-OCCSQVGLSA-N 1 0 314.426 2.272 10 0 DEAERO Cc1nn(C)c(COCC2CC[NH2+]CC2)c1Br ZINC000089234896 192749211 /nfs/dbraw/zinc/74/92/11/192749211.db2.gz WKEUKUVTBXNSCK-UHFFFAOYSA-N 1 0 302.216 2.007 10 0 DEAERO COCC[NH2+]CC(C)(C)Cc1c(Br)c(C)nn1C ZINC000089255206 192751421 /nfs/dbraw/zinc/75/14/21/192751421.db2.gz XEXCGKPRQUUOOR-UHFFFAOYSA-N 1 0 318.259 2.296 10 0 DEAERO CCc1nn(CC)c(C[C@@]2([NH3+])CCCOC2)c1Br ZINC000089356094 192772011 /nfs/dbraw/zinc/77/20/11/192772011.db2.gz MOUPCHGERKHBRT-ZDUSSCGKSA-N 1 0 316.243 2.278 10 0 DEAERO CC(=O)N1CCCN([C@H](CC(C)C)C(=O)OC(C)(C)C)CC1 ZINC000599251783 359441185 /nfs/dbraw/zinc/44/11/85/359441185.db2.gz YGEXRAUQTFMSOL-OAHLLOKOSA-N 1 0 312.454 2.297 10 0 DEAERO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2C[NH3+])cc1C ZINC000089532131 192810979 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CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN(C)c1ccc(Cl)cn1 ZINC000600439529 359743063 /nfs/dbraw/zinc/74/30/63/359743063.db2.gz JJEUACXDAXFVQJ-CQSZACIVSA-N 1 0 324.856 2.162 10 0 DEAERO CN(Cc1nc2c(s1)CCCC2)C(=O)c1coc(C[NH3+])c1 ZINC000188201544 200208046 /nfs/dbraw/zinc/20/80/46/200208046.db2.gz CXCCBFFEQSJYFV-UHFFFAOYSA-N 1 0 305.403 2.346 10 0 DEAERO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@@H]1c1cccs1 ZINC000188251157 200216063 /nfs/dbraw/zinc/21/60/63/200216063.db2.gz MXBCUJPOGIHEMU-GFCCVEGCSA-N 1 0 302.403 2.094 10 0 DEAERO CCc1ccccc1CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000188568202 200267891 /nfs/dbraw/zinc/26/78/91/200267891.db2.gz DRFKZFVDUXIUPW-QAPCUYQASA-N 1 0 318.461 2.095 10 0 DEAERO CCC[C@H](C(=O)NCc1cc(COC(C)(C)C)on1)[NH+](C)C ZINC000188572513 200268751 /nfs/dbraw/zinc/26/87/51/200268751.db2.gz MFAWNJHKVLXRQA-CQSZACIVSA-N 1 0 311.426 2.336 10 0 DEAERO COc1ccc(C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000601003221 359889756 /nfs/dbraw/zinc/88/97/56/359889756.db2.gz BDIHLOUDWIHCRP-UKRRQHHQSA-N 1 0 320.433 2.235 10 0 DEAERO O=C1[C@@H]([NH2+][C@H]2CCCSC2)CCN1Cc1ccc(F)cc1 ZINC000189055789 200342652 /nfs/dbraw/zinc/34/26/52/200342652.db2.gz YYHPNUSGVXVGTF-GJZGRUSLSA-N 1 0 308.422 2.412 10 0 DEAERO CO[C@H]1C[N@H+](CC(=O)NCc2cccc(Cl)c2)CC[C@@H]1C ZINC000189283523 200375939 /nfs/dbraw/zinc/37/59/39/200375939.db2.gz JNLVPAXAZOSGIS-WFASDCNBSA-N 1 0 310.825 2.313 10 0 DEAERO COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000189366039 200389396 /nfs/dbraw/zinc/38/93/96/200389396.db2.gz LSULCJZBIFWTST-PBHICJAKSA-N 1 0 320.433 2.010 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(-n2cncn2)cc1 ZINC000189315036 200380155 /nfs/dbraw/zinc/38/01/55/200380155.db2.gz BULYZUSYJDQJPZ-MFKMUULPSA-N 1 0 314.311 2.231 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(C)nc(C(F)(F)F)n1 ZINC000189485206 200410098 /nfs/dbraw/zinc/41/00/98/200410098.db2.gz XDUVKINRDPLTLY-SNVBAGLBSA-N 1 0 318.343 2.264 10 0 DEAERO C[C@@H](NC(=O)CN(C)c1ccc(Cl)cn1)C1CC[NH+](C)CC1 ZINC000603322769 360791751 /nfs/dbraw/zinc/79/17/51/360791751.db2.gz VCNZHOLHEYDYPJ-GFCCVEGCSA-N 1 0 324.856 2.018 10 0 DEAERO c1cn(-c2cc(N3CCCC[C@H]([NH+]4CCCC4)C3)ncn2)cn1 ZINC000607145795 361071624 /nfs/dbraw/zinc/07/16/24/361071624.db2.gz ZQBCCQZGNWZIHD-HNNXBMFYSA-N 1 0 312.421 2.117 10 0 DEAERO Brc1ccc2ncc(C[NH2+]C[C@@H]3CCCO3)n2c1 ZINC000608053194 361160771 /nfs/dbraw/zinc/16/07/71/361160771.db2.gz NFSSLRPFTLTAMV-LBPRGKRZSA-N 1 0 310.195 2.365 10 0 DEAERO CCc1nc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)sc1C ZINC000608335191 361199018 /nfs/dbraw/zinc/19/90/18/361199018.db2.gz DVMBJZWOVISGKC-UHFFFAOYSA-N 1 0 322.438 2.416 10 0 DEAERO C[C@H](CO)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000608498647 361227899 /nfs/dbraw/zinc/22/78/99/361227899.db2.gz XIXNPBWEJJOTIB-NSHDSACASA-N 1 0 302.212 2.388 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000193267187 201017355 /nfs/dbraw/zinc/01/73/55/201017355.db2.gz HTQFUUJWPBIPBZ-LDYMZIIASA-N 1 0 305.205 2.270 10 0 DEAERO CC(C)[C@H](NC(=O)CC[C@H](C)[NH3+])c1nc(-c2cccnc2)no1 ZINC000193308158 201026539 /nfs/dbraw/zinc/02/65/39/201026539.db2.gz MSMIBKASAXANRB-FZMZJTMJSA-N 1 0 317.393 2.072 10 0 DEAERO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(SC(=O)N(C)C)cc1 ZINC000193635511 201092542 /nfs/dbraw/zinc/09/25/42/201092542.db2.gz LQSKTXNBPINNBC-SMDDNHRTSA-N 1 0 321.446 2.075 10 0 DEAERO CC[NH+](CC)CC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000610825900 361473582 /nfs/dbraw/zinc/47/35/82/361473582.db2.gz RYXGRJHIRBGYCM-MRXNPFEDSA-N 1 0 320.433 2.385 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CCC(=O)OCC)C1 ZINC000611043610 361518270 /nfs/dbraw/zinc/51/82/70/361518270.db2.gz RMAWHQZMZGPDFI-HZPDHXFCSA-N 1 0 324.465 2.443 10 0 DEAERO O=C(NCc1ccc2ncccc2c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000194595381 201259629 /nfs/dbraw/zinc/25/96/29/201259629.db2.gz VLCXYNMRWUJHCA-KRWDZBQOSA-N 1 0 322.412 2.391 10 0 DEAERO Cc1nc(C[C@@H]2CCC[N@H+](C[C@H](O)Cc3ccccc3)C2)no1 ZINC000195518140 201396790 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CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1nc(C)ccc1O ZINC000275356352 212289290 /nfs/dbraw/zinc/28/92/90/212289290.db2.gz AOKGQXAHKQJLNA-SUMWQHHRSA-N 1 0 316.405 2.179 10 0 DEAERO O=C(C[C@H]1CSCC[NH2+]1)N1CC=C(c2ccccc2)CC1 ZINC000091135874 193001894 /nfs/dbraw/zinc/00/18/94/193001894.db2.gz KIAGGNJQHQDEGB-INIZCTEOSA-N 1 0 302.443 2.397 10 0 DEAERO Cc1ccccc1[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000091404437 193052467 /nfs/dbraw/zinc/05/24/67/193052467.db2.gz BMAKCHCNSNRVES-PBHICJAKSA-N 1 0 322.474 2.317 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2F)C1 ZINC000091546451 193071379 /nfs/dbraw/zinc/07/13/79/193071379.db2.gz JOORSUUXYVEFFX-GZMMTYOYSA-N 1 0 315.186 2.332 10 0 DEAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000091479815 193062108 /nfs/dbraw/zinc/06/21/08/193062108.db2.gz YURNFOKEQXUDOS-YPMHNXCESA-N 1 0 302.296 2.316 10 0 DEAERO C[C@@H](NC(=O)C[N@H+](C)CC1CC(O)C1)c1ccccc1Cl ZINC000091499551 193064789 /nfs/dbraw/zinc/06/47/89/193064789.db2.gz 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C[NH2+]C1CCC(N(C)S(=O)(=O)c2cc(C)cc(C)c2)CC1 ZINC000091872649 193120871 /nfs/dbraw/zinc/12/08/71/193120871.db2.gz VFYNJOOCIPXRCL-UHFFFAOYSA-N 1 0 310.463 2.455 10 0 DEAERO Nc1ccc(F)cc1SC[C@@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000091941001 193129188 /nfs/dbraw/zinc/12/91/88/193129188.db2.gz QBIPBJDFGOWJAI-HUUCEWRRSA-N 1 0 306.406 2.431 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N(C)C)cc1 ZINC000091983955 193135663 /nfs/dbraw/zinc/13/56/63/193135663.db2.gz AQZURROAPYDVIS-CZUORRHYSA-N 1 0 302.422 2.453 10 0 DEAERO Brc1cn2c(C[NH2+]Cc3cccnc3)cnc2cn1 ZINC000092049097 193148520 /nfs/dbraw/zinc/14/85/20/193148520.db2.gz HRCGSUUSWOYLAB-UHFFFAOYSA-N 1 0 318.178 2.177 10 0 DEAERO Cn1ncc(Br)c1CNCC[N@@H+]1CCCC1(C)C ZINC000449778410 241074096 /nfs/dbraw/zinc/07/40/96/241074096.db2.gz BRLNPOXGBAAEOX-UHFFFAOYSA-N 1 0 315.259 2.147 10 0 DEAERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000450661155 242074859 /nfs/dbraw/zinc/07/48/59/242074859.db2.gz DEXSLPOAAOAXPV-APPDUMDISA-N 1 0 304.390 2.026 10 0 DEAERO C[C@H]1C[NH+](CCC(=O)Nc2ccc(C(N)=S)cc2)C[C@@H]1C ZINC000092085467 193154730 /nfs/dbraw/zinc/15/47/30/193154730.db2.gz AAMNQHCBMZMWFF-RYUDHWBXSA-N 1 0 305.447 2.237 10 0 DEAERO CC(=O)[C@](C)(O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000450842821 242302401 /nfs/dbraw/zinc/30/24/01/242302401.db2.gz CGRJBUJXPLJZLZ-CYBMUJFWSA-N 1 0 318.186 2.360 10 0 DEAERO CC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1F ZINC000092115786 193163042 /nfs/dbraw/zinc/16/30/42/193163042.db2.gz XIIKSSFFACWJOX-LLVKDONJSA-N 1 0 302.415 2.401 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)CC[C@@H]2C)c(F)c1 ZINC000092116276 193163811 /nfs/dbraw/zinc/16/38/11/193163811.db2.gz NAXUBEGZKSGONN-RYUDHWBXSA-N 1 0 314.426 2.354 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC(C)(C)C2)c(F)c1 ZINC000092116219 193164241 /nfs/dbraw/zinc/16/42/41/193164241.db2.gz HTULVFZKAAJNFJ-UHFFFAOYSA-N 1 0 314.426 2.356 10 0 DEAERO c1c(C[NH2+]CCCOC2CCCCC2)nnn1C[C@@H]1CCOC1 ZINC000631035122 367980461 /nfs/dbraw/zinc/98/04/61/367980461.db2.gz AYKOXLLXKXUOFW-HNNXBMFYSA-N 1 0 322.453 2.144 10 0 DEAERO c1cc(C[NH2+]CCCOC[C@@H]2CCCO2)n(CC2CCC2)n1 ZINC000631037552 367982178 /nfs/dbraw/zinc/98/21/78/367982178.db2.gz UOHODOKCHDCFGP-KRWDZBQOSA-N 1 0 307.438 2.359 10 0 DEAERO c1cncc([C@H]2CCC[C@H]([NH2+]C3CN(c4ccncn4)C3)C2)c1 ZINC000631257517 368106625 /nfs/dbraw/zinc/10/66/25/368106625.db2.gz ZMTLYJIGGQVECR-HOCLYGCPSA-N 1 0 309.417 2.376 10 0 DEAERO CN(Cc1ccccc1Br)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092204371 193172708 /nfs/dbraw/zinc/17/27/08/193172708.db2.gz ULZXAMAMLCIVIK-JQWIXIFHSA-N 1 0 309.207 2.311 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3Cc4ccccc4S3)C[C@@H]2C1 ZINC000092231739 193177438 /nfs/dbraw/zinc/17/74/38/193177438.db2.gz LNOSSDHYUOMILT-HLPPOEQASA-N 1 0 302.443 2.289 10 0 DEAERO c1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c2c(c1)COCC2 ZINC000631731847 368362618 /nfs/dbraw/zinc/36/26/18/368362618.db2.gz CBWQUKREUBVYHA-GOSISDBHSA-N 1 0 316.445 2.102 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@H](C)N2CCCCC[C@H]([NH3+])C2)c1 ZINC000631831560 368408914 /nfs/dbraw/zinc/40/89/14/368408914.db2.gz IPXLFIBTTGGORO-BBRMVZONSA-N 1 0 317.433 2.420 10 0 DEAERO Brc1scnc1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890577 368445710 /nfs/dbraw/zinc/44/57/10/368445710.db2.gz QSRRLFBMYKINAJ-ONGXEEELSA-N 1 0 316.268 2.480 10 0 DEAERO COC[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451573230 243142632 /nfs/dbraw/zinc/14/26/32/243142632.db2.gz UFUGFHILBFHKPD-OCCSQVGLSA-N 1 0 314.223 2.246 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)s1 ZINC000631992276 368483592 /nfs/dbraw/zinc/48/35/92/368483592.db2.gz AZOTVSMOMUXABA-CHWSQXEVSA-N 1 0 314.476 2.128 10 0 DEAERO O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631995384 368484902 /nfs/dbraw/zinc/48/49/02/368484902.db2.gz FNTNPYCQFNICQY-NXEZZACHSA-N 1 0 320.867 2.164 10 0 DEAERO COCC[NH2+]Cc1ccnn1C[C@H]1Cc2ccccc2S1 ZINC000092271936 193183482 /nfs/dbraw/zinc/18/34/82/193183482.db2.gz STVZRMWDHUOTMC-OAHLLOKOSA-N 1 0 303.431 2.336 10 0 DEAERO CCCCOc1ccc(OC)cc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261716046 203100138 /nfs/dbraw/zinc/10/01/38/203100138.db2.gz IZAOUYALHLXYFT-CJNGLKHVSA-N 1 0 322.405 2.319 10 0 DEAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCCCc3ccccc32)cn1 ZINC000262001449 203169915 /nfs/dbraw/zinc/16/99/15/203169915.db2.gz UNYDISZKYFRYND-SJORKVTESA-N 1 0 324.428 2.093 10 0 DEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]CCOC)c1ccccc1C ZINC000093105612 193204489 /nfs/dbraw/zinc/20/44/89/193204489.db2.gz SOURYKUZAMIOQP-HNNXBMFYSA-N 1 0 313.463 2.139 10 0 DEAERO O=C(C[C@H]1COCC[NH2+]1)NCCc1c(Cl)cccc1Cl ZINC000262056134 203186218 /nfs/dbraw/zinc/18/62/18/203186218.db2.gz HXQRMSIFPIVTDW-JTQLQIEISA-N 1 0 317.216 2.031 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2coc(Br)c2)C1 ZINC000262321622 203261131 /nfs/dbraw/zinc/26/11/31/203261131.db2.gz RQGMBJCGPOITDA-DTWKUNHWSA-N 1 0 301.184 2.242 10 0 DEAERO Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)sc2C)s1 ZINC000262549670 203326251 /nfs/dbraw/zinc/32/62/51/203326251.db2.gz ONFVMUCZALKRQG-ZJUUUORDSA-N 1 0 323.443 2.150 10 0 DEAERO CSCC[C@H]([NH3+])C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000262592162 203342088 /nfs/dbraw/zinc/34/20/88/203342088.db2.gz VDRIVGWLDFGEJA-AWEZNQCLSA-N 1 0 310.438 2.345 10 0 DEAERO [NH3+][C@H]1CCC[C@@H](Oc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000093219733 193218072 /nfs/dbraw/zinc/21/80/72/193218072.db2.gz FSCIHQZUWWYABF-VHSXEESVSA-N 1 0 305.346 2.332 10 0 DEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1cc(C[NH2+]C)oc1C ZINC000093265848 193222961 /nfs/dbraw/zinc/22/29/61/193222961.db2.gz FWIVABKQILERCW-NSHDSACASA-N 1 0 302.440 2.364 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(OC)c(Br)c1)C(OC)OC ZINC000093304947 193227882 /nfs/dbraw/zinc/22/78/82/193227882.db2.gz KSJGWWCVIDYZGZ-NSHDSACASA-N 1 0 318.211 2.207 10 0 DEAERO C[NH2+][C@@H](Cc1cc(Br)ccc1F)C(OC)OC ZINC000093304943 193227897 /nfs/dbraw/zinc/22/78/97/193227897.db2.gz UVXFYBJCLOVTDD-NSHDSACASA-N 1 0 306.175 2.338 10 0 DEAERO CCC(CC)N(CC(C)C)S(=O)(=O)c1c(C)n[nH]c1C[NH3+] ZINC000093326618 193233482 /nfs/dbraw/zinc/23/34/82/193233482.db2.gz YVOMQOSMLHFNRI-UHFFFAOYSA-N 1 0 316.471 2.012 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCCN2CCCS2(=O)=O)CC(C)(C)C1 ZINC000678932075 541785488 /nfs/dbraw/zinc/78/54/88/541785488.db2.gz QRFMEQHETQAPCK-KGLIPLIRSA-N 1 0 302.484 2.216 10 0 DEAERO CC(C)C[NH2+]Cc1c[nH]nc1-c1ccc(S(C)(=O)=O)cc1 ZINC000093296635 193226385 /nfs/dbraw/zinc/22/63/85/193226385.db2.gz PHCQKCBCWZCFJR-UHFFFAOYSA-N 1 0 307.419 2.226 10 0 DEAERO [NH3+]CCn1cc(-c2nc3ccc(Br)cc3s2)nn1 ZINC000093426876 193249813 /nfs/dbraw/zinc/24/98/13/193249813.db2.gz UZVSQISOBQSTKE-UHFFFAOYSA-N 1 0 324.207 2.276 10 0 DEAERO CC[C@@]1(COC)C[NH+]=C(N)N1c1ccccc1Br ZINC000093382511 193241148 /nfs/dbraw/zinc/24/11/48/193241148.db2.gz QXLFHLSJXXKDLI-ZDUSSCGKSA-N 1 0 312.211 2.379 10 0 DEAERO CC(C)(Cn1c(N)[nH+]c2cccc(Cl)c21)S(C)(=O)=O ZINC000093524676 193263879 /nfs/dbraw/zinc/26/38/79/193263879.db2.gz ZUODNPRGZXFGKM-UHFFFAOYSA-N 1 0 301.799 2.095 10 0 DEAERO COC(=O)[C@@]1([NH3+])CCC[C@@H]1CCN(CC(F)(F)F)C(C)C ZINC000093589836 193271716 /nfs/dbraw/zinc/27/17/16/193271716.db2.gz ZLFMEKQXKUJOLK-DGCLKSJQSA-N 1 0 310.360 2.320 10 0 DEAERO CC[NH2+][C@]1(CO)CCC[C@@H]1CCn1cc(Br)cn1 ZINC000093618845 193275197 /nfs/dbraw/zinc/27/51/97/193275197.db2.gz LWOWFOZUNMALQV-YPMHNXCESA-N 1 0 316.243 2.176 10 0 DEAERO NC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1ccc(F)cc1F ZINC000093627349 193276339 /nfs/dbraw/zinc/27/63/39/193276339.db2.gz YFXKLOUXVGYQGL-LKFCYVNXSA-N 1 0 300.374 2.430 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000093696596 193291913 /nfs/dbraw/zinc/29/19/13/193291913.db2.gz SXGZZQSQHFBZKO-CHWSQXEVSA-N 1 0 314.426 2.148 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000093696986 193292117 /nfs/dbraw/zinc/29/21/17/193292117.db2.gz MZXYRLJTFAFTED-SNVBAGLBSA-N 1 0 322.883 2.163 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000093696595 193292204 /nfs/dbraw/zinc/29/22/04/193292204.db2.gz SXGZZQSQHFBZKO-QWHCGFSZSA-N 1 0 314.426 2.148 10 0 DEAERO C[C@@H](CC[C@@H]1CCCN(S(C)(=O)=O)C1)C[NH2+]C(C)(C)C ZINC000093702319 193295722 /nfs/dbraw/zinc/29/57/22/193295722.db2.gz XSLUYQZSUZUQFJ-KBPBESRZSA-N 1 0 304.500 2.462 10 0 DEAERO Cc1nn([C@@H]2CCC[C@@]([NH2+]C3CC3)(C(N)=O)C2)c(C)c1Cl ZINC000093759585 193301352 /nfs/dbraw/zinc/30/13/52/193301352.db2.gz BLUVUUNMEDRXIG-DOMZBBRYSA-N 1 0 310.829 2.245 10 0 DEAERO Cc1nnc(S[C@H]2CCC[C@]([NH2+]C(C)C)(C(N)=O)C2)s1 ZINC000093778417 193305619 /nfs/dbraw/zinc/30/56/19/193305619.db2.gz IXOMVSTXLAOIGY-GXFFZTMASA-N 1 0 314.480 2.103 10 0 DEAERO CC[NH2+]Cc1ncnn1Cc1cc(F)cc(Br)c1 ZINC000094002740 193337671 /nfs/dbraw/zinc/33/76/71/193337671.db2.gz NUEYGGIJKHTDAQ-UHFFFAOYSA-N 1 0 313.174 2.338 10 0 DEAERO CC[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@@H]1CN(C)CCN1C ZINC000094009138 193338421 /nfs/dbraw/zinc/33/84/21/193338421.db2.gz MYTSIOIJHPGMTE-GOEBONIOSA-N 1 0 311.857 2.245 10 0 DEAERO COC(=O)[C@@]1(NC(C)C)CC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093831810 193314401 /nfs/dbraw/zinc/31/44/01/193314401.db2.gz JVGFNFGBFGPPJK-DGCLKSJQSA-N 1 0 310.360 2.333 10 0 DEAERO NC(=O)[C@]1([NH3+])CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000093848880 193317056 /nfs/dbraw/zinc/31/70/56/193317056.db2.gz YIKXJFQGDZORSE-JQWIXIFHSA-N 1 0 315.236 2.277 10 0 DEAERO CN(CC(C)(C)C[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000093874689 193322403 /nfs/dbraw/zinc/32/24/03/193322403.db2.gz KLPWXROENPGDFW-UHFFFAOYSA-N 1 0 306.378 2.104 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(CC)s1)[C@H]1CN(C)CCN1C ZINC000093896113 193325731 /nfs/dbraw/zinc/32/57/31/193325731.db2.gz DDJGMPJQVUNXTQ-DLBZAZTESA-N 1 0 309.523 2.467 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)CCC1=O ZINC000093982454 193333788 /nfs/dbraw/zinc/33/37/88/193333788.db2.gz WXZRHQCFUBMVBI-LBPRGKRZSA-N 1 0 315.186 2.299 10 0 DEAERO CC[C@H](Oc1c(F)cc(C[NH2+]C(C)(C)C)cc1F)C(N)=O ZINC000094347862 193363116 /nfs/dbraw/zinc/36/31/16/193363116.db2.gz NVBHHAAVBAVUFK-LBPRGKRZSA-N 1 0 300.349 2.496 10 0 DEAERO CC[NH2+]Cc1cc(F)c(OCC(=O)N(C)C(C)C)c(F)c1 ZINC000094346783 193363709 /nfs/dbraw/zinc/36/37/09/193363709.db2.gz BUYOUSGPRKJSIL-UHFFFAOYSA-N 1 0 300.349 2.320 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3ncc(Cl)cc3Cl)no2)C1 ZINC000094199131 193348985 /nfs/dbraw/zinc/34/89/85/193348985.db2.gz ZISZCJGBXPBJKI-VXNVDRBHSA-N 1 0 315.160 2.488 10 0 DEAERO CC[NH2+][C@@H](c1cc(F)c(C)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000094707855 193392966 /nfs/dbraw/zinc/39/29/66/193392966.db2.gz ALOKMSGXEYTSFO-QMTHXVAHSA-N 1 0 303.374 2.359 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@H](OCC2([NH3+])CCCCCC2)C1 ZINC000094638005 193386932 /nfs/dbraw/zinc/38/69/32/193386932.db2.gz YUPKPTHZXQNOGT-KBPBESRZSA-N 1 0 303.468 2.411 10 0 DEAERO CCC[NH2+][C@H](COCCC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642036 193388587 /nfs/dbraw/zinc/38/85/87/193388587.db2.gz ZRISAGWFZDKVKL-QLFBSQMISA-N 1 0 305.484 2.385 10 0 DEAERO CC[C@](C)([C@H](O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC000094641347 193388749 /nfs/dbraw/zinc/38/87/49/193388749.db2.gz ATOPRKVRVURBKG-QKPAOTATSA-N 1 0 317.495 2.215 10 0 DEAERO C[NH2+][C@H](COc1ccccc1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642146 193389146 /nfs/dbraw/zinc/38/91/46/193389146.db2.gz VBXGOLFMTYFUIU-CWRNSKLLSA-N 1 0 311.447 2.257 10 0 DEAERO CC(C)([C@H]([NH3+])[C@H]1CCC[C@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC000094642893 193389168 /nfs/dbraw/zinc/38/91/68/193389168.db2.gz JONWKSCYOMNPFK-SOUVJXGZSA-N 1 0 316.511 2.182 10 0 DEAERO CCOc1cc(C[NH3+])cc(Br)c1O[C@@H](C)[C@H](C)O ZINC000094653081 193390858 /nfs/dbraw/zinc/39/08/58/193390858.db2.gz LOBUMVYYDJLYEP-IUCAKERBSA-N 1 0 318.211 2.455 10 0 DEAERO CCOC(=O)C1CC[NH+]([C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094410480 193367773 /nfs/dbraw/zinc/36/77/73/193367773.db2.gz XRGWIRQLTBNQLL-ZBFHGGJFSA-N 1 0 313.463 2.316 10 0 DEAERO CCOC(=O)C[N@H+](CC)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094410540 193368049 /nfs/dbraw/zinc/36/80/49/193368049.db2.gz PQEYAXDQJVELPM-CYBMUJFWSA-N 1 0 301.452 2.316 10 0 DEAERO Nc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000094457399 193371529 /nfs/dbraw/zinc/37/15/29/193371529.db2.gz WHDOKHPZSYATAD-CYBMUJFWSA-N 1 0 310.239 2.311 10 0 DEAERO [NH3+]C1(c2nc(-c3nc([C@H]4CSCCS4)no3)c[nH]2)CCC1 ZINC000094496074 193373479 /nfs/dbraw/zinc/37/34/79/193373479.db2.gz OBQHPYOGCWXYRU-SECBINFHSA-N 1 0 323.447 2.319 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1CNc1nc(Br)cn2ccnc12 ZINC000094489914 193373639 /nfs/dbraw/zinc/37/36/39/193373639.db2.gz COKOTVBNLAPUHZ-SNVBAGLBSA-N 1 0 324.226 2.388 10 0 DEAERO CCC[NH2+][C@@H](c1cc(Cl)cnc1N)[C@@H]1CSCCO1 ZINC000094504389 193374335 /nfs/dbraw/zinc/37/43/35/193374335.db2.gz XTMWSOBOLCJZQG-RYUDHWBXSA-N 1 0 301.843 2.490 10 0 DEAERO CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CSCCO1 ZINC000094504038 193374418 /nfs/dbraw/zinc/37/44/18/193374418.db2.gz AGILOOHFNUAAKE-PWSUYJOCSA-N 1 0 303.859 2.035 10 0 DEAERO CCn1cc(Br)cc1C(=O)N1C[C@H]([NH3+])C[C@H](C)C1 ZINC000094548729 193378969 /nfs/dbraw/zinc/37/89/69/193378969.db2.gz IIURDAKNDBTAEQ-GXSJLCMTSA-N 1 0 314.227 2.080 10 0 DEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(Br)cc2F)O1 ZINC000094563220 193380003 /nfs/dbraw/zinc/38/00/03/193380003.db2.gz CBQFTIUNCKRMFF-LDYMZIIASA-N 1 0 317.158 2.033 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)c3ncccc23)O1 ZINC000094567087 193380476 /nfs/dbraw/zinc/38/04/76/193380476.db2.gz UGTFCZRUAYBBDV-RNCFNFMXSA-N 1 0 305.765 2.333 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094568602 193380628 /nfs/dbraw/zinc/38/06/28/193380628.db2.gz WOINIODMPSXJOK-CHWSQXEVSA-N 1 0 317.216 2.458 10 0 DEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2N)C1 ZINC000094598676 193383234 /nfs/dbraw/zinc/38/32/34/193383234.db2.gz KYZCCEOBPWMZMR-SECBINFHSA-N 1 0 301.312 2.112 10 0 DEAERO NC(=O)[C@]1([NH2+]C2CC2)CCC[C@H]1CCSc1ccncc1 ZINC000094615087 193384350 /nfs/dbraw/zinc/38/43/50/193384350.db2.gz GLCMMKXIUMRJLX-LRDDRELGSA-N 1 0 305.447 2.340 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2nc3c(Br)cccn3n2)C1 ZINC000094608431 193384772 /nfs/dbraw/zinc/38/47/72/193384772.db2.gz MVABZGFDRMBUMK-ZJUUUORDSA-N 1 0 324.226 2.055 10 0 DEAERO CC(C)(C)[NH2+]C[C@H](Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000094976341 193410664 /nfs/dbraw/zinc/41/06/64/193410664.db2.gz MECLHMWRRSOYAF-NEPJUHHUSA-N 1 0 316.492 2.125 10 0 DEAERO O=C(N[C@H]1CCOc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171582927 284215278 /nfs/dbraw/zinc/21/52/78/284215278.db2.gz XKFWVIXJUXVNSF-ZBFHGGJFSA-N 1 0 315.417 2.390 10 0 DEAERO C[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@]1(C)CCCS1 ZINC000097313088 193706734 /nfs/dbraw/zinc/70/67/34/193706734.db2.gz MVBUBFFFLKOKSO-XJFOESAGSA-N 1 0 305.509 2.464 10 0 DEAERO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH]c2c1C(=O)CCC2 ZINC000266103257 205099642 /nfs/dbraw/zinc/09/96/42/205099642.db2.gz SITOPOPQRDDRKT-WCQYABFASA-N 1 0 317.433 2.397 10 0 DEAERO C[NH2+][C@@H](CC1CC1)c1c(Br)cnn1CCOC ZINC000161502518 197499699 /nfs/dbraw/zinc/49/96/99/197499699.db2.gz GUTMFKMSSCEZMZ-NSHDSACASA-N 1 0 302.216 2.353 10 0 DEAERO c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@@H]1COCCN1)CCCC2 ZINC000530220125 284376861 /nfs/dbraw/zinc/37/68/61/284376861.db2.gz IZXVZSKHXNYCNQ-AEFFLSMTSA-N 1 0 316.445 2.357 10 0 DEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc(F)c(Br)c2)CCO1 ZINC000019257468 182111956 /nfs/dbraw/zinc/11/19/56/182111956.db2.gz YQWSZJTWXHRNSZ-ZANVPECISA-N 1 0 317.202 2.309 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000019899850 182162007 /nfs/dbraw/zinc/16/20/07/182162007.db2.gz XFIWQGRZVNKBAC-JOYOIKCWSA-N 1 0 318.236 2.287 10 0 DEAERO CC1(O)CC[NH+](CCC(=O)Nc2ccc(Cl)cc2N)CC1 ZINC000160404363 197407185 /nfs/dbraw/zinc/40/71/85/197407185.db2.gz NOKPBWDYXCAPJR-UHFFFAOYSA-N 1 0 311.813 2.098 10 0 DEAERO CCCn1ncc(Br)c1[C@@H]([NH2+]C)[C@@H]1CCCO1 ZINC000160283464 197397579 /nfs/dbraw/zinc/39/75/79/197397579.db2.gz PDIIBIDSODRPQH-QWRGUYRKSA-N 1 0 302.216 2.495 10 0 DEAERO [NH3+]CCCCS(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000020180128 182194492 /nfs/dbraw/zinc/19/44/92/182194492.db2.gz HGWNWSVRWIOECV-UHFFFAOYSA-N 1 0 310.463 2.010 10 0 DEAERO Fc1ccc(Br)c(C[NH2+]C[C@H]2CCOCO2)c1 ZINC000160123272 197387518 /nfs/dbraw/zinc/38/75/18/197387518.db2.gz ZXZBAUUAQTZVJF-LLVKDONJSA-N 1 0 304.159 2.441 10 0 DEAERO CC1CC[NH+](CCC(=O)Nc2ccccc2C(N)=S)CC1 ZINC000020556690 182231506 /nfs/dbraw/zinc/23/15/06/182231506.db2.gz WOJZCQZGLCTNJO-UHFFFAOYSA-N 1 0 305.447 2.381 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1ccc(C)c(Br)c1 ZINC000159923715 197374031 /nfs/dbraw/zinc/37/40/31/197374031.db2.gz HNINMKHWSPPVGW-LBPRGKRZSA-N 1 0 315.211 2.450 10 0 DEAERO CCCOc1c(Cl)cc(CNCC[NH2+]CCO)cc1Cl ZINC000020967503 182256896 /nfs/dbraw/zinc/25/68/96/182256896.db2.gz AWLZGAWVWHHWIB-UHFFFAOYSA-N 1 0 321.248 2.454 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NC[C@H]2CCCC2(F)F)CC1 ZINC000454779459 246150857 /nfs/dbraw/zinc/15/08/57/246150857.db2.gz DXWYNWCVKCIPLZ-CYBMUJFWSA-N 1 0 301.381 2.373 10 0 DEAERO CC(C)C[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C(=O)Nc1ccccc1 ZINC000022067439 182307787 /nfs/dbraw/zinc/30/77/87/182307787.db2.gz LODYUHYUFPJMPF-CABCVRRESA-N 1 0 305.422 2.139 10 0 in-vitro DEAERO CC(C)(C)NC(=O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022806324 182336205 /nfs/dbraw/zinc/33/62/05/182336205.db2.gz VXLFCLADZYBJOE-UHFFFAOYSA-N 1 0 303.450 2.109 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)c1nnc(Cl)s1)c1cccs1 ZINC000159854640 197369282 /nfs/dbraw/zinc/36/92/82/197369282.db2.gz ISKHOBJFGNVGMK-SSDOTTSWSA-N 1 0 316.839 2.286 10 0 DEAERO CC(C)[C@H](CNC(=O)c1nnc(Cl)s1)[NH+]1CCCC1 ZINC000159856470 197368979 /nfs/dbraw/zinc/36/89/79/197368979.db2.gz BTHIIPRAIGFAKE-VIFPVBQESA-N 1 0 302.831 2.042 10 0 DEAERO Cc1cccc(C(=O)N2C[C@H](C)N(CC[NH+](C)C)[C@@H](C)C2)c1 ZINC000036126158 182804031 /nfs/dbraw/zinc/80/40/31/182804031.db2.gz JCOSCYLUFLVOPH-HOTGVXAUSA-N 1 0 303.450 2.091 10 0 DEAERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCC12CCC2 ZINC000531770651 284607377 /nfs/dbraw/zinc/60/73/77/284607377.db2.gz FBYPNOWUFKNBAA-HZPDHXFCSA-N 1 0 321.465 2.092 10 0 DEAERO O[C@H](C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1)Cn1ccnn1 ZINC000459706596 248663978 /nfs/dbraw/zinc/66/39/78/248663978.db2.gz WBGXSLNKNAKMMY-OAGGEKHMSA-N 1 0 320.824 2.218 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc3nc(SC)sc3c2)C1 ZINC000040632871 183111965 /nfs/dbraw/zinc/11/19/65/183111965.db2.gz DMRXGIXEPTWSJK-MWLCHTKSSA-N 1 0 323.443 2.334 10 0 DEAERO COc1cc(OC)cc(C(=O)NCC(C)(C)[NH+]2CCCC2)c1 ZINC000040616082 183109586 /nfs/dbraw/zinc/10/95/86/183109586.db2.gz AMVRQVOZODWVLS-UHFFFAOYSA-N 1 0 306.406 2.308 10 0 DEAERO [NH3+][C@H]1CCCN(C(=O)c2cc(Br)cn2C2CC2)C1 ZINC000041028031 183157745 /nfs/dbraw/zinc/15/77/45/183157745.db2.gz BGZHKNQDFQCXTM-JTQLQIEISA-N 1 0 312.211 2.149 10 0 DEAERO COCCCN(CCOC)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000042421023 183267820 /nfs/dbraw/zinc/26/78/20/183267820.db2.gz ZEHGVUQXLUBFQR-OAHLLOKOSA-N 1 0 300.830 2.325 10 0 DEAERO COCC[NH2+]CCN(C)Cc1ccc(Br)cc1 ZINC000042427993 183269655 /nfs/dbraw/zinc/26/96/55/183269655.db2.gz QNYVXWNUPBTAAV-UHFFFAOYSA-N 1 0 301.228 2.117 10 0 DEAERO CCN(C[C@H](C)C[NH3+])c1ccccc1S(=O)(=O)C(F)F ZINC000042442263 183271153 /nfs/dbraw/zinc/27/11/53/183271153.db2.gz RZNNIAMPIJFYEM-SNVBAGLBSA-N 1 0 306.378 2.104 10 0 DEAERO CCC(CC)[N@H+](CCO)CC(=O)Nc1ccc(Cl)cc1N ZINC000042483338 183276328 /nfs/dbraw/zinc/27/63/28/183276328.db2.gz CHKKNIKKBCXACN-UHFFFAOYSA-N 1 0 313.829 2.344 10 0 DEAERO CN(Cc1csc(Br)c1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042361008 183258200 /nfs/dbraw/zinc/25/82/00/183258200.db2.gz HCGRSBDSUHWBMS-GHMZBOCLSA-N 1 0 319.268 2.306 10 0 DEAERO CC(C)C[N@H+](CC(=O)Nc1ccccc1C(N)=S)C1CC1 ZINC000042557156 183284646 /nfs/dbraw/zinc/28/46/46/183284646.db2.gz WITSKXCHWASCGU-UHFFFAOYSA-N 1 0 305.447 2.380 10 0 DEAERO CC[C@@H](C)[N@H+](CCOC)CCOc1ccccc1C(N)=S ZINC000042583210 183286513 /nfs/dbraw/zinc/28/65/13/183286513.db2.gz LCFQOLMFVWXDOV-CYBMUJFWSA-N 1 0 310.463 2.447 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCC(O)CC1 ZINC000042952109 183320353 /nfs/dbraw/zinc/32/03/53/183320353.db2.gz NXLSTTVOUKVCBT-QMTHXVAHSA-N 1 0 313.239 2.294 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCC(CC(N)=O)CC1 ZINC000042946570 183320819 /nfs/dbraw/zinc/32/08/19/183320819.db2.gz URBLHMGKJPQKRM-MEDUHNTESA-N 1 0 309.841 2.316 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCC(O)CC1 ZINC000043019952 183328820 /nfs/dbraw/zinc/32/88/20/183328820.db2.gz SDGIQWNOWANVPY-IINYFYTJSA-N 1 0 313.239 2.294 10 0 DEAERO CCCN(CCO)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021218 183330096 /nfs/dbraw/zinc/33/00/96/183330096.db2.gz TZHOMOZTRHWJJC-ZDUSSCGKSA-N 1 0 301.228 2.153 10 0 DEAERO CS(=O)(=O)c1ccc(O[C@@H](C[NH3+])c2ccccc2F)cc1 ZINC000043048662 183331713 /nfs/dbraw/zinc/33/17/13/183331713.db2.gz AWRBEOPDDFUXNR-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO CS(=O)(=O)c1cccc(O[C@@H](C[NH3+])c2ccccc2F)c1 ZINC000043048667 183332070 /nfs/dbraw/zinc/33/20/70/183332070.db2.gz BUHKDYCRZGPWRY-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1C ZINC000043041995 183332121 /nfs/dbraw/zinc/33/21/21/183332121.db2.gz MSBZIEOPCJLJSV-RISCZKNCSA-N 1 0 304.419 2.231 10 0 DEAERO CCCN(CC(F)(F)F)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000042768565 183307281 /nfs/dbraw/zinc/30/72/81/183307281.db2.gz MITJBWGPZRGGHD-UHFFFAOYSA-N 1 0 324.368 2.249 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNc1nc2c(cc1C(N)=S)CCC2 ZINC000043408375 183359679 /nfs/dbraw/zinc/35/96/79/183359679.db2.gz RSXZMNIGBUYZHZ-GFCCVEGCSA-N 1 0 304.463 2.101 10 0 DEAERO Cn1cc([C@@H](C[NH3+])Oc2ccc(F)cc2Br)cn1 ZINC000043233228 183346072 /nfs/dbraw/zinc/34/60/72/183346072.db2.gz OMLSKQARHUCAET-GFCCVEGCSA-N 1 0 314.158 2.401 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CCCN(C(C)=O)CC1 ZINC000043243207 183346960 /nfs/dbraw/zinc/34/69/60/183346960.db2.gz MYBGKHJDCJVHNM-GOEBONIOSA-N 1 0 309.479 2.389 10 0 DEAERO CCN(CC)C(=O)CN(C)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043253547 183347603 /nfs/dbraw/zinc/34/76/03/183347603.db2.gz UUOUDFOODYUKJM-JTQLQIEISA-N 1 0 303.859 2.202 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCS(=O)CC1 ZINC000043253569 183347810 /nfs/dbraw/zinc/34/78/10/183347810.db2.gz GLSFXWAZRITGFY-SKDRFNHKSA-N 1 0 306.884 2.244 10 0 DEAERO CNC(=O)C1CCN([C@@H](c2ccc(Cl)s2)[C@H](C)[NH3+])CC1 ZINC000043252801 183347955 /nfs/dbraw/zinc/34/79/55/183347955.db2.gz FQBZSZRZTBMZRO-TVQRCGJNSA-N 1 0 315.870 2.248 10 0 DEAERO COCCN(CCOC)[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043252904 183348461 /nfs/dbraw/zinc/34/84/61/183348461.db2.gz ZMBAHFNRUOKGAO-MFKMUULPSA-N 1 0 306.859 2.385 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)CCO ZINC000043286216 183350473 /nfs/dbraw/zinc/35/04/73/183350473.db2.gz FPXBEPDZUKUKFS-GXSJLCMTSA-N 1 0 307.257 2.213 10 0 DEAERO Cn1cnnc1S[C@H](C[NH3+])c1ccc(Br)s1 ZINC000043283542 183350742 /nfs/dbraw/zinc/35/07/42/183350742.db2.gz HSYQBSSLXPDIMC-SSDOTTSWSA-N 1 0 319.253 2.431 10 0 DEAERO CC(C)N(CCO)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000043287363 183351276 /nfs/dbraw/zinc/35/12/76/183351276.db2.gz PMEYMNWFYROONM-JTQLQIEISA-N 1 0 307.257 2.213 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cc(Br)cs1)N(CCO)C1CC1 ZINC000043287385 183351459 /nfs/dbraw/zinc/35/14/59/183351459.db2.gz YIWDVUJNEWFFES-QPUJVOFHSA-N 1 0 319.268 2.356 10 0 DEAERO Ic1ccccc1N[C@H]1CCC[NH2+]C1 ZINC000043325238 183355135 /nfs/dbraw/zinc/35/51/35/183355135.db2.gz JEFBRDCZJBNOOQ-VIFPVBQESA-N 1 0 302.159 2.455 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1nnnn1-c1ccccc1)c1ccco1 ZINC000043338294 183355945 /nfs/dbraw/zinc/35/59/45/183355945.db2.gz ZQGUFSQDSRCYSR-MFKMUULPSA-N 1 0 301.375 2.436 10 0 DEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCN(c3nccs3)CC2)o1 ZINC000043363895 183357574 /nfs/dbraw/zinc/35/75/74/183357574.db2.gz WKBGOXIUHLARHJ-OCCSQVGLSA-N 1 0 306.435 2.255 10 0 DEAERO Cc1ccc([C@H](Oc2ccc(S(C)(=O)=O)cc2)[C@H](C)[NH3+])o1 ZINC000043366991 183357615 /nfs/dbraw/zinc/35/76/15/183357615.db2.gz UJBJXWSZZTXMIH-XHDPSFHLSA-N 1 0 309.387 2.459 10 0 DEAERO CCCc1cc(=O)[nH]c(S[C@@H]([C@@H]([NH3+])CC)C(F)(F)F)n1 ZINC000043385739 183358069 /nfs/dbraw/zinc/35/80/69/183358069.db2.gz MDOZHZWDWARSLK-WPRPVWTQSA-N 1 0 309.357 2.483 10 0 DEAERO COC(=O)[C@H](C)Oc1ccc(Br)cc1C[C@H](C)[NH3+] ZINC000043631346 183376120 /nfs/dbraw/zinc/37/61/20/183376120.db2.gz BPTGCVGRHSEFHF-IUCAKERBSA-N 1 0 316.195 2.279 10 0 DEAERO [NH3+]Cc1cccc(S(=O)(=O)N2CCC[C@H]2C2CCCC2)c1 ZINC000045086526 183480460 /nfs/dbraw/zinc/48/04/60/183480460.db2.gz QOGRRMLBRAXOKU-INIZCTEOSA-N 1 0 308.447 2.489 10 0 DEAERO Cc1nc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c(C)s1 ZINC000274060739 211318892 /nfs/dbraw/zinc/31/88/92/211318892.db2.gz ROGCGUMLXPDBSO-MNOVXSKESA-N 1 0 306.391 2.346 10 0 DEAERO Cc1nc(C)c(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)s1 ZINC000273967269 211223170 /nfs/dbraw/zinc/22/31/70/211223170.db2.gz LEPNSMDBMUUYOD-WDEREUQCSA-N 1 0 306.391 2.346 10 0 DEAERO CN1CCO[C@H](CNC(=O)NCc2ccc(C(C)(C)C)cc2)C1 ZINC000104793036 194039671 /nfs/dbraw/zinc/03/96/71/194039671.db2.gz PSXPDAHXQBSAGA-MRXNPFEDSA-N 1 0 319.449 2.114 10 0 DEAERO CN(CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000105096045 194073756 /nfs/dbraw/zinc/07/37/56/194073756.db2.gz UWGRMGCEWYTMEP-QGZVFWFLSA-N 1 0 316.449 2.003 10 0 DEAERO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc3ccccc3n2)[N@H+](C)C1 ZINC000284782557 218175787 /nfs/dbraw/zinc/17/57/87/218175787.db2.gz YGYCOCBXAUFZSC-GJZGRUSLSA-N 1 0 313.401 2.026 10 0 DEAERO Brc1ccc(OCC[NH2+]Cc2cncnc2)cc1 ZINC000105461854 194105745 /nfs/dbraw/zinc/10/57/45/194105745.db2.gz JNKUHKMZMHFXRE-UHFFFAOYSA-N 1 0 308.179 2.408 10 0 DEAERO Cc1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1F ZINC000105617890 194115236 /nfs/dbraw/zinc/11/52/36/194115236.db2.gz PWGPAQHIRHMANU-CYBMUJFWSA-N 1 0 314.426 2.287 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(CCCOCCc2ccccc2)C[C@@H]1C ZINC000105824125 194138325 /nfs/dbraw/zinc/13/83/25/194138325.db2.gz FGSJYOCPKLIZSB-ZWKOTPCHSA-N 1 0 320.477 2.023 10 0 DEAERO CCc1nccn1[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000105852823 194146158 /nfs/dbraw/zinc/14/61/58/194146158.db2.gz GVAUMRZHBWMOMV-JKSUJKDBSA-N 1 0 318.465 2.483 10 0 DEAERO Cc1cccc(OCC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105882786 194155489 /nfs/dbraw/zinc/15/54/89/194155489.db2.gz YIEWOZZDQJBZGT-MRXNPFEDSA-N 1 0 300.406 2.378 10 0 DEAERO CCN(CC)C(=O)[C@H]([NH2+]CCn1cc(C)cn1)c1ccccc1 ZINC000105881336 194155889 /nfs/dbraw/zinc/15/58/89/194155889.db2.gz LFSQESXMICJNNU-QGZVFWFLSA-N 1 0 314.433 2.391 10 0 DEAERO CC[C@H]1CN(CCC(=O)Nc2ccccc2)CC[N@@H+]1CCOC ZINC000105903102 194166765 /nfs/dbraw/zinc/16/67/65/194166765.db2.gz VXHAOWKARUZQOP-KRWDZBQOSA-N 1 0 319.449 2.058 10 0 DEAERO COc1cccc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000105917765 194167776 /nfs/dbraw/zinc/16/77/76/194167776.db2.gz OAODJNXQTIZRKQ-UHFFFAOYSA-N 1 0 314.433 2.137 10 0 DEAERO COCC[N@@H+]1CCN(Cc2cn3cc(Cl)ccc3n2)C[C@H]1C ZINC000106106806 194185333 /nfs/dbraw/zinc/18/53/33/194185333.db2.gz RATVAUXQKNKAEO-CYBMUJFWSA-N 1 0 322.840 2.140 10 0 DEAERO FC(F)Oc1ccccc1C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000106380812 194203883 /nfs/dbraw/zinc/20/38/83/194203883.db2.gz KTXSTSHKVGJEBJ-CQSZACIVSA-N 1 0 312.360 2.241 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106458399 194217085 /nfs/dbraw/zinc/21/70/85/194217085.db2.gz BQVHZRMLNLMZTC-SJLPKXTDSA-N 1 0 317.477 2.150 10 0 DEAERO COc1ccc(CC[NH2+]CCOCC(F)(F)F)cc1OC ZINC000049310800 183725510 /nfs/dbraw/zinc/72/55/10/183725510.db2.gz JQXDLZOSJCVGPQ-UHFFFAOYSA-N 1 0 307.312 2.415 10 0 DEAERO CCCN(C1(C[NH3+])CCCCC1)S(=O)(=O)c1cccnc1 ZINC000050092764 183772443 /nfs/dbraw/zinc/77/24/43/183772443.db2.gz MPQNTCXOGPVXDS-UHFFFAOYSA-N 1 0 311.451 2.144 10 0 DEAERO CCCC1CCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)CC1 ZINC000050906019 183807610 /nfs/dbraw/zinc/80/76/10/183807610.db2.gz WYPRUGOYUCCGPQ-UHFFFAOYSA-N 1 0 310.463 2.487 10 0 DEAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000109469232 194267577 /nfs/dbraw/zinc/26/75/77/194267577.db2.gz SGDLSMCWFIHSCI-MRXNPFEDSA-N 1 0 305.491 2.486 10 0 DEAERO C[NH2+]Cc1nc(C(C)C)ncc1-n1cc(Br)cn1 ZINC000051493319 183828724 /nfs/dbraw/zinc/82/87/24/183828724.db2.gz FRYQKUYRSCXMFW-UHFFFAOYSA-N 1 0 310.199 2.268 10 0 DEAERO c1cnn(CCCCC[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000109821387 194290364 /nfs/dbraw/zinc/29/03/64/194290364.db2.gz KPYFPEYRNCKVIT-SFHVURJKSA-N 1 0 320.481 2.240 10 0 DEAERO Cn1cc(C[N@H+](C)Cc2ccc(Br)c(N)c2)cn1 ZINC000159329243 197345756 /nfs/dbraw/zinc/34/57/56/197345756.db2.gz DHDWXWBKXIOFJN-UHFFFAOYSA-N 1 0 309.211 2.397 10 0 DEAERO C[NH2+]C[C@H](Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000052950168 183881401 /nfs/dbraw/zinc/88/14/01/183881401.db2.gz CTRPWKHWBHYVRD-QWRGUYRKSA-N 1 0 319.829 2.292 10 0 DEAERO CCC[NH2+]C[C@@H](CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052951094 183881554 /nfs/dbraw/zinc/88/15/54/183881554.db2.gz RBGYCHRUAHZHHL-CVEARBPZSA-N 1 0 319.511 2.490 10 0 DEAERO CC(C)C[NH2+]C[C@H](CCOC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052952288 183881936 /nfs/dbraw/zinc/88/19/36/183881936.db2.gz QUIPENNOROGLSB-GJZGRUSLSA-N 1 0 305.484 2.098 10 0 DEAERO CCC[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1cccc(OC)c1 ZINC000052978477 183882511 /nfs/dbraw/zinc/88/25/11/183882511.db2.gz OYTNPGDSLAVVJN-HNNXBMFYSA-N 1 0 313.463 2.288 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c(C)s1 ZINC000110648138 194345967 /nfs/dbraw/zinc/34/59/67/194345967.db2.gz WLGKJGXCOHQDHE-SNVBAGLBSA-N 1 0 302.465 2.113 10 0 DEAERO CCCC(=O)NCC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000110871456 194365188 /nfs/dbraw/zinc/36/51/88/194365188.db2.gz WCPQRPURSDVQAN-UHFFFAOYSA-N 1 0 319.449 2.059 10 0 DEAERO CCN([C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110935943 194370947 /nfs/dbraw/zinc/37/09/47/194370947.db2.gz BILVZMFFUVZXGV-DZGCQCFKSA-N 1 0 310.463 2.225 10 0 DEAERO Cc1sc2nc(CN(C)[C@H]3CCC[NH2+]C3)nc(N)c2c1C ZINC000110930633 194371293 /nfs/dbraw/zinc/37/12/93/194371293.db2.gz XOCOZEXASAIVGT-NSHDSACASA-N 1 0 305.451 2.074 10 0 DEAERO CCCS(=O)(=O)c1ccccc1N(CC)[C@@H]1CCC[NH2+]C1 ZINC000110947600 194373695 /nfs/dbraw/zinc/37/36/95/194373695.db2.gz UZSFPFCWLXBDLI-CQSZACIVSA-N 1 0 310.463 2.449 10 0 DEAERO CC[C@H]([NH3+])[C@H](SCCS(C)(=O)=O)c1cccc(OC)c1 ZINC000111004581 194380871 /nfs/dbraw/zinc/38/08/71/194380871.db2.gz BPOSCRRIMHTOEC-UONOGXRCSA-N 1 0 317.476 2.251 10 0 DEAERO O[C@H]1C[NH2+]C[C@H]1Oc1ccc2ccccc2c1Br ZINC000111060079 194387502 /nfs/dbraw/zinc/38/75/02/194387502.db2.gz NGSSPBAKNGGSHC-WCQYABFASA-N 1 0 308.175 2.314 10 0 DEAERO COCCN(CCOC)c1nc(C)c(C[NH2+]C(C)(C)C)s1 ZINC000055001613 183956791 /nfs/dbraw/zinc/95/67/91/183956791.db2.gz HKDZQKCFRLHFPD-UHFFFAOYSA-N 1 0 315.483 2.439 10 0 DEAERO CN(c1cc(NN)[nH+]c(-c2ccccc2)n1)[C@H]1CCSC1 ZINC000159313614 197345270 /nfs/dbraw/zinc/34/52/70/197345270.db2.gz NWXQIJYFOJQQLP-LBPRGKRZSA-N 1 0 301.419 2.371 10 0 DEAERO Cc1n[nH]c(C)c1CCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000111139390 194394294 /nfs/dbraw/zinc/39/42/94/194394294.db2.gz AGGGVNHKUCLYHT-KRWDZBQOSA-N 1 0 314.433 2.378 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000159321539 197344681 /nfs/dbraw/zinc/34/46/81/197344681.db2.gz YWFZTTCTCSMBMQ-YGRLFVJLSA-N 1 0 300.349 2.238 10 0 DEAERO CCn1cc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000057202848 184029775 /nfs/dbraw/zinc/02/97/75/184029775.db2.gz XJSKBFCZLMFQQP-OAHLLOKOSA-N 1 0 315.421 2.197 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000061270167 184167295 /nfs/dbraw/zinc/16/72/95/184167295.db2.gz BHEVNYBAVXCJPM-WOPDTQHZSA-N 1 0 310.360 2.381 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(Br)o1 ZINC000061296055 184167884 /nfs/dbraw/zinc/16/78/84/184167884.db2.gz NJFRGKXYILSXRU-UHFFFAOYSA-N 1 0 303.200 2.389 10 0 DEAERO CCN(CC)c1nc(Cl)nc(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000061540817 184173310 /nfs/dbraw/zinc/17/33/10/184173310.db2.gz YAVUFWXKQYSFBJ-LLVKDONJSA-N 1 0 312.849 2.125 10 0 DEAERO CCN(CC)c1nc(Cl)nc(NCC[NH+]2CCCCC2)n1 ZINC000061539597 184173317 /nfs/dbraw/zinc/17/33/17/184173317.db2.gz HPHKRYJIXWDWHC-UHFFFAOYSA-N 1 0 312.849 2.269 10 0 DEAERO Cc1ccsc1[C@@H](Sc1n[nH]c(=O)n1C1CC1)[C@@H](C)[NH3+] ZINC000061594601 184175955 /nfs/dbraw/zinc/17/59/55/184175955.db2.gz GSDOWTNJHAYUBY-KCJUWKMLSA-N 1 0 310.448 2.457 10 0 DEAERO Cc1ccc([C@@H](Sc2n[nH]c(=O)n2C2CC2)[C@H](C)[NH3+])s1 ZINC000061594697 184176042 /nfs/dbraw/zinc/17/60/42/184176042.db2.gz WLCQLFYLHHVTTR-KWQFWETISA-N 1 0 310.448 2.457 10 0 DEAERO CCNc1ccc(Cl)c(C(=O)N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061656047 184181004 /nfs/dbraw/zinc/18/10/04/184181004.db2.gz HUQOFZNDLYNLBA-LLVKDONJSA-N 1 0 310.829 2.333 10 0 DEAERO Cc1noc(Cl)c1CCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061647196 184181195 /nfs/dbraw/zinc/18/11/95/184181195.db2.gz VIKIXUDLTOYOBD-UHFFFAOYSA-N 1 0 311.813 2.266 10 0 DEAERO COc1ccc([C@@H]([NH3+])C[C@@H](C)CC(N)=O)c(Br)c1 ZINC000061830572 184188832 /nfs/dbraw/zinc/18/88/32/184188832.db2.gz WIRPJVFZZCHNRY-PELKAZGASA-N 1 0 315.211 2.359 10 0 DEAERO CC[C@H]1CC[C@H](C[NH3+])[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061940916 184197403 /nfs/dbraw/zinc/19/74/03/184197403.db2.gz LCXDYJIMHKNIIA-BFHYXJOUSA-N 1 0 307.404 2.320 10 0 DEAERO CC[NH2+][C@H](C)c1cnc(N2CCN(CC(F)(F)F)CC2)s1 ZINC000061948526 184198200 /nfs/dbraw/zinc/19/82/00/184198200.db2.gz HDZRMYRTHJGMSM-SNVBAGLBSA-N 1 0 322.400 2.498 10 0 DEAERO COCCCN(C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000062029495 184202257 /nfs/dbraw/zinc/20/22/57/184202257.db2.gz WJTXDVLUMZVFEG-JTQLQIEISA-N 1 0 307.257 2.479 10 0 DEAERO COCCCN(C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000062029384 184202337 /nfs/dbraw/zinc/20/23/37/184202337.db2.gz HKOLVNYXBCLCFZ-ZDUSSCGKSA-N 1 0 301.228 2.417 10 0 DEAERO COCCCN(C)[C@@H](C[NH3+])c1cc(Cl)c2c(c1)OCCO2 ZINC000062029981 184202487 /nfs/dbraw/zinc/20/24/87/184202487.db2.gz HWDVEKHSEQCHAA-ZDUSSCGKSA-N 1 0 314.813 2.079 10 0 DEAERO CNc1ccc(Cl)c(C(=O)NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000062069781 184204578 /nfs/dbraw/zinc/20/45/78/184204578.db2.gz FAAORHLXWXDVRT-NSHDSACASA-N 1 0 310.829 2.238 10 0 DEAERO CC1(C)Cc2nc(N3CCn4ccnc4C3)sc2[C@@H]([NH3+])C1 ZINC000062327777 184230984 /nfs/dbraw/zinc/23/09/84/184230984.db2.gz VIEYQWOIZGHOMD-JTQLQIEISA-N 1 0 303.435 2.332 10 0 DEAERO CC(C)C[NH2+]Cc1c(N2CCC[C@H](O)C2)nc2sccn12 ZINC000062737124 184251315 /nfs/dbraw/zinc/25/13/15/184251315.db2.gz KOZRZUZWUKYDJB-LBPRGKRZSA-N 1 0 308.451 2.103 10 0 DEAERO CS(=O)(=O)c1ccccc1Nc1cccc(OCC[NH3+])c1 ZINC000062839356 184255523 /nfs/dbraw/zinc/25/55/23/184255523.db2.gz HJOZVTOWGUNRRI-UHFFFAOYSA-N 1 0 306.387 2.171 10 0 DEAERO CCCC1(C(=O)N(CCOC)[C@@H]2CCSC2)CC[NH2+]CC1 ZINC000062849060 184256493 /nfs/dbraw/zinc/25/64/93/184256493.db2.gz AXHCUWZQVMKSCL-CQSZACIVSA-N 1 0 314.495 2.137 10 0 DEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062900379 184259038 /nfs/dbraw/zinc/25/90/38/184259038.db2.gz GRFQYSFQAPAJGA-OAHLLOKOSA-N 1 0 310.419 2.480 10 0 DEAERO [NH3+]Cc1cccc(S(=O)(=O)N2CCC3(CCCC3)CC2)c1 ZINC000062955466 184262596 /nfs/dbraw/zinc/26/25/96/184262596.db2.gz LZIJHIHESUTPGR-UHFFFAOYSA-N 1 0 308.447 2.490 10 0 DEAERO CC[NH2+][C@](C)(CCCCOc1cccc(F)c1F)C(N)=O ZINC000062653934 184246721 /nfs/dbraw/zinc/24/67/21/184246721.db2.gz OTCCNSIIQMIXEL-OAHLLOKOSA-N 1 0 300.349 2.367 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CCCCC[C@H]2[NH3+])c(C)s1 ZINC000063213382 184278437 /nfs/dbraw/zinc/27/84/37/184278437.db2.gz PZSHTXLLDHEBBE-NEPJUHHUSA-N 1 0 302.465 2.303 10 0 DEAERO C[C@H](CN1CCOCC1)NC1=[NH+][C@H](c2ccccc2)CS1 ZINC000063002349 184265382 /nfs/dbraw/zinc/26/53/82/184265382.db2.gz LDNXQTGQOLWNRF-HIFRSBDPSA-N 1 0 305.447 2.141 10 0 DEAERO O=c1cc2c(nn1Cc1ccc(Cl)c(Cl)c1)CC[NH2+]C2 ZINC000063169779 184275580 /nfs/dbraw/zinc/27/55/80/184275580.db2.gz KFEIWMQMCSBOCT-UHFFFAOYSA-N 1 0 310.184 2.244 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000063168216 184275814 /nfs/dbraw/zinc/27/58/14/184275814.db2.gz HSOWRVJVRNBWAE-SNVBAGLBSA-N 1 0 320.817 2.242 10 0 DEAERO CC(C)n1cc(Br)cc1C(=O)N[C@H]1CCC[C@@H]1[NH3+] ZINC000063172537 184276274 /nfs/dbraw/zinc/27/62/74/184276274.db2.gz ZEZKKNPXHRTWBU-QWRGUYRKSA-N 1 0 314.227 2.441 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000063176014 184276693 /nfs/dbraw/zinc/27/66/93/184276693.db2.gz OVHOBPUVVMNWEX-NXEZZACHSA-N 1 0 309.218 2.152 10 0 DEAERO C[C@@H](CCO)NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119161692 207355951 /nfs/dbraw/zinc/35/59/51/207355951.db2.gz MEZQKHPSTXCROM-MAUKXSAKSA-N 1 0 319.449 2.111 10 0 DEAERO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCCN1CCOCC1 ZINC000184004460 207364302 /nfs/dbraw/zinc/36/43/02/207364302.db2.gz YRAMPNCMCYFLMV-GOSISDBHSA-N 1 0 317.477 2.310 10 0 DEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262579238 296328181 /nfs/dbraw/zinc/32/81/81/296328181.db2.gz YQKXFFZVOJJTRG-ZURLZEQWSA-N 1 0 308.466 2.461 10 0 DEAERO COCC[NH2+]C[C@@H](C)NCc1c(F)cccc1Br ZINC000160878906 197447271 /nfs/dbraw/zinc/44/72/71/197447271.db2.gz LZTGXTHBEUHCNU-SNVBAGLBSA-N 1 0 319.218 2.302 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C1CCCC1 ZINC000247499883 285033480 /nfs/dbraw/zinc/03/34/80/285033480.db2.gz NJAPXTPMBOMDEM-IRXDYDNUSA-N 1 0 323.481 2.461 10 0 DEAERO COC(=O)[C@H]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000119532433 194990700 /nfs/dbraw/zinc/99/07/00/194990700.db2.gz HNWACBQLLGVJDC-OWCLPIDISA-N 1 0 324.465 2.202 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C)CCC(C)CC1 ZINC000111856384 285034621 /nfs/dbraw/zinc/03/46/21/285034621.db2.gz JKUOGCIHDPGNOK-CKDBGZEDSA-N 1 0 311.470 2.365 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000538314993 285031314 /nfs/dbraw/zinc/03/13/14/285031314.db2.gz BPUQXUDOJJEPPO-UHFFFAOYSA-N 1 0 314.433 2.215 10 0 DEAERO c1nc(N2CCCC2)ncc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000538790549 285056046 /nfs/dbraw/zinc/05/60/46/285056046.db2.gz ITIOLBNPVZJFOV-JKSUJKDBSA-N 1 0 302.422 2.078 10 0 DEAERO C[C@@H](CC(=O)c1ccccc1F)C(=O)N(C)CCC[NH+](C)C ZINC000539417534 285076776 /nfs/dbraw/zinc/07/67/76/285076776.db2.gz XNVZQPWPFJEXBW-ZDUSSCGKSA-N 1 0 308.397 2.445 10 0 DEAERO C[NH2+][C@H](C[S@@](=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000159160522 197331961 /nfs/dbraw/zinc/33/19/61/197331961.db2.gz WSFRFAORJRDISE-HWBVIDEXSA-N 1 0 321.364 2.438 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)c1cccc(F)c1)[C@H]1CCOC1 ZINC000159131710 197330594 /nfs/dbraw/zinc/33/05/94/197330594.db2.gz MAQZQRPBCJWFIS-WFASDCNBSA-N 1 0 315.410 2.004 10 0 DEAERO CC(C)C[C@@H]1CN(CC[S@](C)=O)[C@H](c2ccccc2)C[NH2+]1 ZINC000159176510 197333399 /nfs/dbraw/zinc/33/33/99/197333399.db2.gz SNUWNMLJMAHGEE-LLGFUMIMSA-N 1 0 308.491 2.426 10 0 DEAERO Cc1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc(C[NH3+])c1F ZINC000159125355 197329102 /nfs/dbraw/zinc/32/91/02/197329102.db2.gz WZESDVATIYGYKS-UHFFFAOYSA-N 1 0 314.426 2.306 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(F)c(C[NH3+])c2)C1 ZINC000159073142 197324896 /nfs/dbraw/zinc/32/48/96/197324896.db2.gz MXVSPNSPCIYWCN-GFCCVEGCSA-N 1 0 314.426 2.404 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cc(C[NH3+])c1F ZINC000159052170 197322336 /nfs/dbraw/zinc/32/23/36/197322336.db2.gz QDQJGKDKWRRIBR-SNVBAGLBSA-N 1 0 300.399 2.013 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@H](C)C2)cc(C)c1F ZINC000159051724 197322482 /nfs/dbraw/zinc/32/24/82/197322482.db2.gz GTQJUXFQKUSNSG-NSHDSACASA-N 1 0 314.426 2.274 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)C1(c2ccccc2)CCOCC1 ZINC000540516321 285119406 /nfs/dbraw/zinc/11/94/06/285119406.db2.gz BZGCRGNLJKYTGQ-UHFFFAOYSA-N 1 0 304.434 2.145 10 0 DEAERO [NH3+]CC1(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000159032708 197320786 /nfs/dbraw/zinc/32/07/86/197320786.db2.gz CJHUTARJFFGGOG-UHFFFAOYSA-N 1 0 303.284 2.446 10 0 DEAERO CC[NH2+][C@H](C[S@](=O)c1ccc2c(c1)CCC2)[C@@H]1CCOC1 ZINC000159026589 197320117 /nfs/dbraw/zinc/32/01/17/197320117.db2.gz QGLDHWVESBFNKE-QLVMHMETSA-N 1 0 307.459 2.298 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc(F)cc1C ZINC000159013836 197318962 /nfs/dbraw/zinc/31/89/62/197318962.db2.gz WJGLSSGGIULPBC-OCCSQVGLSA-N 1 0 314.426 2.191 10 0 DEAERO CC[C@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1cc(F)ccc1C ZINC000159014529 197318611 /nfs/dbraw/zinc/31/86/11/197318611.db2.gz OJVDCXXCFCPRIN-JSGCOSHPSA-N 1 0 314.426 2.191 10 0 DEAERO CC[NH2+][C@H]1CCCN(c2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000159002448 197318207 /nfs/dbraw/zinc/31/82/07/197318207.db2.gz OBHKCDFTRFVQQB-LURJTMIESA-N 1 0 308.250 2.487 10 0 DEAERO CC[NH2+][C@H](C[S@](=O)c1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000158887846 197309690 /nfs/dbraw/zinc/30/96/90/197309690.db2.gz APIDHVDVYDSZET-FRGNPEFRSA-N 1 0 301.839 2.462 10 0 DEAERO CC[NH+](CC)CCNC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000158763506 197300340 /nfs/dbraw/zinc/30/03/40/197300340.db2.gz ZUDVOFDTOSSWAB-CQSZACIVSA-N 1 0 311.451 2.173 10 0 DEAERO CC(C)(C)c1ccc(S(=O)(=O)C[C@H]([NH3+])[C@@H]2CCOC2)cc1 ZINC000158771146 197300121 /nfs/dbraw/zinc/30/01/21/197300121.db2.gz MCNIHVAMZNZRCR-DOMZBBRYSA-N 1 0 311.447 2.122 10 0 DEAERO COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000158386847 197268389 /nfs/dbraw/zinc/26/83/89/197268389.db2.gz KMKSYVWPJNYCTR-KBPBESRZSA-N 1 0 316.401 2.406 10 0 DEAERO CCC([NH3+])(CC)CNS(=O)(=O)c1cccc2ncccc21 ZINC000158383185 197267370 /nfs/dbraw/zinc/26/73/70/197267370.db2.gz JVLLWXRGINVXHU-UHFFFAOYSA-N 1 0 307.419 2.031 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000120276730 195134520 /nfs/dbraw/zinc/13/45/20/195134520.db2.gz ZPLRXJVRQOZQAB-TZMCWYRMSA-N 1 0 317.437 2.475 10 0 DEAERO CC(C)[C@@H](O)CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000158301567 197260833 /nfs/dbraw/zinc/26/08/33/197260833.db2.gz RCYASUZMHNWXOT-ZBFHGGJFSA-N 1 0 324.490 2.483 10 0 DEAERO CC(C)([NH3+])CS(=O)(=O)Cc1cccc(F)c1Br ZINC000157997531 197233806 /nfs/dbraw/zinc/23/38/06/197233806.db2.gz YSKJFWPDJBZHSY-UHFFFAOYSA-N 1 0 324.215 2.240 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)CCS1 ZINC000157702299 197208862 /nfs/dbraw/zinc/20/88/62/197208862.db2.gz LJCGWWCQPBYIIS-DGCLKSJQSA-N 1 0 314.476 2.222 10 0 DEAERO Cc1nnc(CN2CCC(C[NH+]3CCCC3)CC2)n1C1CC1 ZINC000157586228 197199985 /nfs/dbraw/zinc/19/99/85/197199985.db2.gz HUVUBUZSEXWMHE-UHFFFAOYSA-N 1 0 303.454 2.229 10 0 DEAERO CC(C)(C)[C@@H]([NH3+])C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000157633504 197203609 /nfs/dbraw/zinc/20/36/09/197203609.db2.gz JMQTUOBHGHBPMX-AWEZNQCLSA-N 1 0 309.841 2.362 10 0 DEAERO CCNc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc(SC)n1 ZINC000157374928 197182495 /nfs/dbraw/zinc/18/24/95/197182495.db2.gz SIEQPLJNKLCGQD-GFCCVEGCSA-N 1 0 307.467 2.305 10 0 DEAERO C[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N1C[C@@H](C)C[C@@H]1C ZINC000157416161 197185307 /nfs/dbraw/zinc/18/53/07/197185307.db2.gz OJWUIFBDSKTJKE-UWVGGRQHSA-N 1 0 300.424 2.035 10 0 DEAERO CCNc1cc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nc(SC)n1 ZINC000157403875 197184538 /nfs/dbraw/zinc/18/45/38/197184538.db2.gz YJWIJSJLJCJIIG-NWDGAFQWSA-N 1 0 307.467 2.303 10 0 DEAERO CC(C)OCC[N@H+](C)CCCOc1ccc(C(N)=S)cc1 ZINC000157255501 197174467 /nfs/dbraw/zinc/17/44/67/197174467.db2.gz HGSYTDVKWADPPD-UHFFFAOYSA-N 1 0 310.463 2.447 10 0 DEAERO O=C(c1nnc(Cl)s1)N1CCC([NH+]2CCCCC2)CC1 ZINC000157226870 197171581 /nfs/dbraw/zinc/17/15/81/197171581.db2.gz LUHSUUREVYRVRY-UHFFFAOYSA-N 1 0 314.842 2.282 10 0 DEAERO Cc1cc(Br)cn(CC[NH2+]Cc2ccccn2)c1=O ZINC000156974603 197153433 /nfs/dbraw/zinc/15/34/33/197153433.db2.gz OXAIZJYELMGGQK-UHFFFAOYSA-N 1 0 322.206 2.104 10 0 DEAERO Cn1cnnc1CC[NH2+]Cc1cccc(F)c1Br ZINC000156756118 197138233 /nfs/dbraw/zinc/13/82/33/197138233.db2.gz KYSTZPAYLSQLGA-UHFFFAOYSA-N 1 0 313.174 2.049 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1CNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000156697576 197133728 /nfs/dbraw/zinc/13/37/28/197133728.db2.gz BUXKMHHYFIFWAO-JQWIXIFHSA-N 1 0 302.296 2.442 10 0 DEAERO O=S(=O)(c1ccccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(F)F ZINC000156371063 197107446 /nfs/dbraw/zinc/10/74/46/197107446.db2.gz IUHJFIKFKHJRPA-MNOVXSKESA-N 1 0 316.373 2.014 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156321769 197104420 /nfs/dbraw/zinc/10/44/20/197104420.db2.gz FUXROZOADKSHGZ-NEPJUHHUSA-N 1 0 314.838 2.163 10 0 DEAERO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000156112593 197088051 /nfs/dbraw/zinc/08/80/51/197088051.db2.gz GXFRUDYHDWMAEE-CQSZACIVSA-N 1 0 310.463 2.404 10 0 DEAERO O=S(=O)(NCC[NH2+][C@H]1CC[C@H]1C1CCC1)c1cccs1 ZINC000558696784 291903265 /nfs/dbraw/zinc/90/32/65/291903265.db2.gz CKJVKPYEFOYHHC-STQMWFEESA-N 1 0 314.476 2.195 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(F)c1Br ZINC000156004013 197080074 /nfs/dbraw/zinc/08/00/74/197080074.db2.gz MAVSUSQDNRPOJP-GZMMTYOYSA-N 1 0 315.186 2.445 10 0 DEAERO CN(C(=O)c1cccc(F)c1Br)[C@H]1CCC[NH2+]C1 ZINC000155991112 197079405 /nfs/dbraw/zinc/07/94/05/197079405.db2.gz HROCLCYVSRHIPG-VIFPVBQESA-N 1 0 315.186 2.412 10 0 DEAERO CC(C)[C@H](C[NH3+])NC(=O)c1cccc(F)c1Br ZINC000156001369 197079033 /nfs/dbraw/zinc/07/90/33/197079033.db2.gz XMYVLGMINGCFTC-JTQLQIEISA-N 1 0 303.175 2.301 10 0 DEAERO CC(C)[C@@](C)(C[NH3+])Nc1ccccc1S(=O)(=O)C(F)F ZINC000155983648 197078112 /nfs/dbraw/zinc/07/81/12/197078112.db2.gz MNJRCWMQDDAWPF-CYBMUJFWSA-N 1 0 306.378 2.468 10 0 DEAERO C[N@@H+](CC(=O)NC(=O)NCc1cccs1)C[C@H]1CC=CCC1 ZINC000542247140 285214583 /nfs/dbraw/zinc/21/45/83/285214583.db2.gz HHZZXVLJVWPXOT-ZDUSSCGKSA-N 1 0 321.446 2.362 10 0 DEAERO CCC1(CC)CN(C[C@@H]2CCCS2(=O)=O)[C@@H](C(C)C)C[NH2+]1 ZINC000155486793 197059424 /nfs/dbraw/zinc/05/94/24/197059424.db2.gz KVXNEQIOAOCQHV-LSDHHAIUSA-N 1 0 316.511 2.052 10 0 DEAERO COc1ccc(Cl)cc1CC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155437302 197055248 /nfs/dbraw/zinc/05/52/48/197055248.db2.gz VKAJSWTYJXSGBR-TXEJJXNPSA-N 1 0 310.825 2.442 10 0 DEAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](CCCS(C)(=O)=O)C2)cc1 ZINC000155281718 197039812 /nfs/dbraw/zinc/03/98/12/197039812.db2.gz RPCUELNDHWZASS-HIFRSBDPSA-N 1 0 311.447 2.308 10 0 DEAERO CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000155227093 197033678 /nfs/dbraw/zinc/03/36/78/197033678.db2.gz SRFFTCCEGDEPPH-OAHLLOKOSA-N 1 0 313.405 2.149 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CCCN1c1nccs1)C(C)(C)C[NH+](C)C ZINC000155074108 197019520 /nfs/dbraw/zinc/01/95/20/197019520.db2.gz KYFLOJXOEWKXGO-STQMWFEESA-N 1 0 324.494 2.204 10 0 DEAERO 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SJYFHYGJDPTXHK-JKSUJKDBSA-N 1 0 303.443 2.123 10 0 DEAERO CC[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000125395286 195744674 /nfs/dbraw/zinc/74/46/74/195744674.db2.gz DYBRHLBATDUTMG-LBDPXKHJSA-N 1 0 311.470 2.316 10 0 DEAERO CCCCOCCOCCOCC[NH2+]CCCOCCC ZINC000125714286 195778814 /nfs/dbraw/zinc/77/88/14/195778814.db2.gz HETHRLMLQOVAGI-UHFFFAOYSA-N 1 0 305.459 2.243 10 0 DEAERO COCC[C@H]([NH3+])C[C@H](O)c1ccc(F)c(Br)c1 ZINC000125771837 195783245 /nfs/dbraw/zinc/78/32/45/195783245.db2.gz UBSBDVSHASBKEO-CABZTGNLSA-N 1 0 306.175 2.376 10 0 DEAERO CN(C[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000126078349 195807785 /nfs/dbraw/zinc/80/77/85/195807785.db2.gz OHEMPYZMBYPKLX-SNVBAGLBSA-N 1 0 318.204 2.446 10 0 DEAERO C[NH2+]C[C@@H](Cc1cc(F)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000125600971 195767071 /nfs/dbraw/zinc/76/70/71/195767071.db2.gz ZNOMQNYAUNSPAO-CMPLNLGQSA-N 1 0 319.829 2.292 10 0 DEAERO Cn1ncnc1S[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000127901833 195919297 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c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)C2 ZINC000261922049 285497419 /nfs/dbraw/zinc/49/74/19/285497419.db2.gz KLANFZKMQQRZSK-IPMKNSEASA-N 1 0 300.446 2.148 10 0 DEAERO O=C(NCCC1CCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069922054 132500100 /nfs/dbraw/zinc/50/01/00/132500100.db2.gz MKRMEWPBVKYAMC-KRWDZBQOSA-N 1 0 323.481 2.321 10 0 DEAERO COc1ccc(OCCCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195314521 132546513 /nfs/dbraw/zinc/54/65/13/132546513.db2.gz UOLLNJHNRVIWCG-HNNXBMFYSA-N 1 0 318.417 2.161 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245578468 132567573 /nfs/dbraw/zinc/56/75/73/132567573.db2.gz BPCOAZLRGMFWRM-LALPHHSUSA-N 1 0 304.438 2.215 10 0 DEAERO c1ccc(Cc2nc(CN3CC[NH+](C4CCC4)CC3)no2)cc1 ZINC000355328980 133018455 /nfs/dbraw/zinc/01/84/55/133018455.db2.gz ZDQNZNYSILITJP-UHFFFAOYSA-N 1 0 312.417 2.331 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000357959273 133112240 /nfs/dbraw/zinc/11/22/40/133112240.db2.gz PAGOOXJRDWRRHH-HNNXBMFYSA-N 1 0 317.437 2.338 10 0 DEAERO CO[C@]1(C)C[C@@H](NC(=O)NCC[N@H+]2CC=C(C)CC2)C1(C)C ZINC000358174709 133126306 /nfs/dbraw/zinc/12/63/06/133126306.db2.gz YRNDWGTXHNVTAG-RHSMWYFYSA-N 1 0 309.454 2.141 10 0 DEAERO Cc1ccccc1OCCNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358184826 133126732 /nfs/dbraw/zinc/12/67/32/133126732.db2.gz HAYIRXRULKHDKB-UHFFFAOYSA-N 1 0 317.433 2.325 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N(C)Cc2cc(Cl)cn2C)CC1 ZINC000358196126 133127509 /nfs/dbraw/zinc/12/75/09/133127509.db2.gz UMKNFCJBHCIEIY-UHFFFAOYSA-N 1 0 324.856 2.472 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NC(C1CCC1)C1CCC1 ZINC000358209691 133128687 /nfs/dbraw/zinc/12/86/87/133128687.db2.gz OGSWFZKWINZBQX-UHFFFAOYSA-N 1 0 302.422 2.183 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccnc2ccncc21 ZINC000359773916 133144125 /nfs/dbraw/zinc/14/41/25/133144125.db2.gz LFIXKUYYBKNWAY-ZDUSSCGKSA-N 1 0 300.406 2.480 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)c2ccc(OC)cn2)CC1 ZINC000360285658 133173488 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CC(C)[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1nc(C2CC2)no1 ZINC000362718553 133247397 /nfs/dbraw/zinc/24/73/97/133247397.db2.gz YUVCONZDYWHICF-OAHLLOKOSA-N 1 0 320.437 2.492 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000368101891 133260227 /nfs/dbraw/zinc/26/02/27/133260227.db2.gz WCWWSUZZPNCROV-DLBZAZTESA-N 1 0 315.417 2.244 10 0 DEAERO Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)COC2CCOCC2)o1 ZINC000368549487 133277903 /nfs/dbraw/zinc/27/79/03/133277903.db2.gz QCRYAFWYURYLBX-GDBMZVCRSA-N 1 0 309.406 2.281 10 0 DEAERO c1nc(C2OCCO2)sc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000377618613 133337338 /nfs/dbraw/zinc/33/73/38/133337338.db2.gz BVIHMCVSGAKXCA-HNNXBMFYSA-N 1 0 310.419 2.191 10 0 DEAERO c1cnn(-c2ccc(C[NH2+][C@@H]3CCO[C@]4(CCOC4)C3)cc2)c1 ZINC000373150745 133379752 /nfs/dbraw/zinc/37/97/52/133379752.db2.gz DBRSALOTOMTFEO-SJLPKXTDSA-N 1 0 313.401 2.300 10 0 DEAERO NC(=S)c1ccnc(N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000062035063 134804471 /nfs/dbraw/zinc/80/44/71/134804471.db2.gz 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/nfs/dbraw/zinc/13/43/38/145134338.db2.gz OOZNEURSDFSNCN-YESZJQIVSA-N 1 0 306.450 2.149 10 0 DEAERO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000247352135 145134855 /nfs/dbraw/zinc/13/48/55/145134855.db2.gz LKGNTYSBQUBZKA-CVEARBPZSA-N 1 0 316.449 2.216 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(CCOc2ccccc2Cl)C[C@@H]1C ZINC000247399406 145136268 /nfs/dbraw/zinc/13/62/68/145136268.db2.gz YGPBEDOPPVYSSS-KBPBESRZSA-N 1 0 312.841 2.106 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2F)[C@@H](C)C1 ZINC000247439488 145137268 /nfs/dbraw/zinc/13/72/68/145137268.db2.gz PHSZEAFBMQDXFV-DZGCQCFKSA-N 1 0 308.397 2.393 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000247478865 145138042 /nfs/dbraw/zinc/13/80/42/145138042.db2.gz SQIQRJIZNYMYEJ-GUYCJALGSA-N 1 0 317.433 2.447 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCOc2cccc(F)c2)C1 ZINC000247481259 145138440 /nfs/dbraw/zinc/13/84/40/145138440.db2.gz WCEQFAMWPVSGNF-CZUORRHYSA-N 1 0 323.412 2.232 10 0 DEAERO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247505096 145139611 /nfs/dbraw/zinc/13/96/11/145139611.db2.gz VIOSZWKOAMFKLU-RWMBFGLXSA-N 1 0 324.371 2.427 10 0 DEAERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)nn1C(C)(C)C ZINC000247556781 145140723 /nfs/dbraw/zinc/14/07/23/145140723.db2.gz ZSYONWJUBJOWPS-ZIAGYGMSSA-N 1 0 304.438 2.255 10 0 DEAERO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247983270 145146606 /nfs/dbraw/zinc/14/66/06/145146606.db2.gz IPJWGIFEDKCNSV-WMLDXEAASA-N 1 0 322.474 2.300 10 0 DEAERO O=c1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c2ccc(O)cc2o1 ZINC000248371975 145151988 /nfs/dbraw/zinc/15/19/88/145151988.db2.gz ZIIXGABWILMDKW-AWEZNQCLSA-N 1 0 314.385 2.169 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC(C)C)c2)[C@@H](C)C1 ZINC000248427286 145154823 /nfs/dbraw/zinc/15/48/23/145154823.db2.gz ADOIGVBDKKTTND-HOCLYGCPSA-N 1 0 306.454 2.341 10 0 DEAERO CC[C@@H]1C[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCO1 ZINC000248567643 145159232 /nfs/dbraw/zinc/15/92/32/145159232.db2.gz NQMLFSCCIGCSNR-KZNAEPCWSA-N 1 0 318.461 2.481 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3nc(Cl)ccc3Cl)C[C@H]12 ZINC000248587545 145160236 /nfs/dbraw/zinc/16/02/36/145160236.db2.gz GLVBPAFDOQTMFT-KHQFGBGNSA-N 1 0 300.189 2.198 10 0 DEAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000248683458 145163981 /nfs/dbraw/zinc/16/39/81/145163981.db2.gz GKKRTRQPGWBCHM-NJAFHUGGSA-N 1 0 321.509 2.345 10 0 DEAERO Cc1cccnc1C(F)(F)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248738760 145165631 /nfs/dbraw/zinc/16/56/31/145165631.db2.gz PIXJLJGPJXVFCF-OLZOCXBDSA-N 1 0 309.360 2.177 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nc3cccnc3s2)[C@@H](C)C1 ZINC000248738375 145165658 /nfs/dbraw/zinc/16/56/58/145165658.db2.gz OJKZUSUIXHAICE-WCQYABFASA-N 1 0 318.446 2.494 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2Cc3ccccc3C2)C1 ZINC000248883587 145172099 /nfs/dbraw/zinc/17/20/99/145172099.db2.gz PIJDWWNAYFFZTR-CXAGYDPISA-N 1 0 301.434 2.182 10 0 DEAERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cn2ccnc2s1 ZINC000248990630 145175489 /nfs/dbraw/zinc/17/54/89/145175489.db2.gz XAOAJFBTGGHHQC-UPJWGTAASA-N 1 0 320.462 2.492 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC([C@@H]3CCCO3)CC2)C1 ZINC000251898667 145196926 /nfs/dbraw/zinc/19/69/26/145196926.db2.gz QVBLMDFOVQTCAW-OIISXLGYSA-N 1 0 323.481 2.316 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCc2cccs2)CC[C@@H]1C ZINC000251993115 145197514 /nfs/dbraw/zinc/19/75/14/145197514.db2.gz WCHZMRPTQZGALW-KCQAQPDRSA-N 1 0 310.463 2.152 10 0 DEAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1nc(C2CC2)no1 ZINC000261681287 145216133 /nfs/dbraw/zinc/21/61/33/145216133.db2.gz IKDHNYUEBBXZQL-CQSZACIVSA-N 1 0 314.389 2.102 10 0 DEAERO O=C(c1c[nH]c(C2CC2)n1)N1CCNC[C@@H]1c1cccc(F)c1 ZINC000261696219 145217522 /nfs/dbraw/zinc/21/75/22/145217522.db2.gz CQVQGAASXDRNON-OAHLLOKOSA-N 1 0 314.364 2.213 10 0 DEAERO C[C@H]1CCN(C(=O)CCc2nc3ccccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000261696331 145217533 /nfs/dbraw/zinc/21/75/33/145217533.db2.gz FGKLJPZVHNBQSM-QWHCGFSZSA-N 1 0 300.406 2.081 10 0 DEAERO COCC1(CNC(=O)[C@H](C)Sc2ccccc2)CC[NH2+]CC1 ZINC000261711496 145219329 /nfs/dbraw/zinc/21/93/29/145219329.db2.gz KQHANSGHWYGJPQ-AWEZNQCLSA-N 1 0 322.474 2.300 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000261719024 145219883 /nfs/dbraw/zinc/21/98/83/145219883.db2.gz JWTBHZVKHKBCTL-RBSFLKMASA-N 1 0 316.401 2.454 10 0 DEAERO C[C@H](CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])NC(=O)C1CCCCC1 ZINC000261715904 145220040 /nfs/dbraw/zinc/22/00/40/145220040.db2.gz GPGLLPYILQWPES-IIAWOOMASA-N 1 0 323.481 2.047 10 0 DEAERO CCN(CC)[C@@H](CNC1=[NH+]CCCN1)c1cccc(OC)c1 ZINC000261723643 145221019 /nfs/dbraw/zinc/22/10/19/145221019.db2.gz GDIQQCOFKFPRQJ-INIZCTEOSA-N 1 0 304.438 2.017 10 0 DEAERO C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000261731154 145221277 /nfs/dbraw/zinc/22/12/77/145221277.db2.gz KFFAQDJNIOTQOZ-KGYLQXTDSA-N 1 0 315.373 2.262 10 0 DEAERO CC(C)c1noc2ncc(C(=O)N3CC[C@@](C)(C[NH3+])C3)cc21 ZINC000261731592 145221327 /nfs/dbraw/zinc/22/13/27/145221327.db2.gz CXELOPNKPHEAQQ-INIZCTEOSA-N 1 0 302.378 2.157 10 0 DEAERO C[C@H]1CCN(C(=O)Cc2coc(-c3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000261777310 145224859 /nfs/dbraw/zinc/22/48/59/145224859.db2.gz KWMPYUINVIAORB-BBRMVZONSA-N 1 0 313.401 2.470 10 0 DEAERO CC1(C)CN(C(=O)COc2ccc(F)cc2Cl)CC[C@H]1[NH3+] ZINC000261796761 145227253 /nfs/dbraw/zinc/22/72/53/145227253.db2.gz GTYZAVMPIJMTBT-CYBMUJFWSA-N 1 0 314.788 2.444 10 0 DEAERO C[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)c1ccc2c(c1)CCCC2 ZINC000261796766 145227276 /nfs/dbraw/zinc/22/72/76/145227276.db2.gz NWWDZHZUOWFTDL-UGSOOPFHSA-N 1 0 316.445 2.497 10 0 DEAERO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261796781 145227310 /nfs/dbraw/zinc/22/73/10/145227310.db2.gz GUCQNUDYXFJLHI-QBNKABOXSA-N 1 0 320.477 2.415 10 0 DEAERO Cc1noc(-c2ccccc2C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261805113 145228189 /nfs/dbraw/zinc/22/81/89/145228189.db2.gz JETICOZSOIAREF-CQSZACIVSA-N 1 0 314.389 2.244 10 0 DEAERO C[C@@H]1CCN(Cc2nc(Cc3ccccc3)no2)[C@@H](C[NH3+])C1 ZINC000261816443 145229417 /nfs/dbraw/zinc/22/94/17/145229417.db2.gz AGRXOSXCDSDHOL-UKRRQHHQSA-N 1 0 300.406 2.220 10 0 DEAERO [NH3+]C1(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)CCOCC1 ZINC000261817777 145229612 /nfs/dbraw/zinc/22/96/12/145229612.db2.gz KAUOBGUCBPENDB-UHFFFAOYSA-N 1 0 324.380 2.364 10 0 DEAERO CCc1ccccc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261845456 145232873 /nfs/dbraw/zinc/23/28/73/145232873.db2.gz IYZVNUXTWQSIEZ-JTDSTZFVSA-N 1 0 316.445 2.398 10 0 DEAERO COc1cccc(-c2nc(-c3nc(C4([NH3+])CCC4)no3)no2)c1 ZINC000261852472 145233724 /nfs/dbraw/zinc/23/37/24/145233724.db2.gz SVVODDRPXUXZFI-UHFFFAOYSA-N 1 0 313.317 2.133 10 0 DEAERO CS(=O)(=O)c1ccc(NC[C@H]2CCC[C@H]([NH3+])C2)c(F)c1 ZINC000261850732 145233786 /nfs/dbraw/zinc/23/37/86/145233786.db2.gz WTVWAAOWJNTJAZ-QWRGUYRKSA-N 1 0 300.399 2.159 10 0 DEAERO CC(C)NC(=O)Cc1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261860792 145234788 /nfs/dbraw/zinc/23/47/88/145234788.db2.gz WWAAQMXCIOKWFG-GOEBONIOSA-N 1 0 317.433 2.210 10 0 DEAERO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000261857885 145234858 /nfs/dbraw/zinc/23/48/58/145234858.db2.gz KEMJNYHLVVZKSF-UHFFFAOYSA-N 1 0 313.445 2.238 10 0 DEAERO Fc1ccc(Br)cc1CCNC1=[NH+]CCCN1 ZINC000261891526 145238922 /nfs/dbraw/zinc/23/89/22/145238922.db2.gz TYYMBTZNJALNQU-UHFFFAOYSA-N 1 0 300.175 2.070 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)Oc1ccccc1 ZINC000261900513 145239390 /nfs/dbraw/zinc/23/93/90/145239390.db2.gz HQGMWSFMLBLAHE-DDBAPUKQSA-N 1 0 304.434 2.201 10 0 DEAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc(Br)s1 ZINC000261907777 145239943 /nfs/dbraw/zinc/23/99/43/145239943.db2.gz XPQWKJWNXCJWSI-DTWKUNHWSA-N 1 0 317.252 2.249 10 0 DEAERO C[C@H]1CCc2ccccc2N1C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261904491 145239974 /nfs/dbraw/zinc/23/99/74/145239974.db2.gz WWDVPIFZTPDPJT-WMLDXEAASA-N 1 0 315.461 2.414 10 0 DEAERO [NH3+]C1(C(=O)NCc2ccccc2OC2CCCC2)CCOCC1 ZINC000261913596 145240699 /nfs/dbraw/zinc/24/06/99/145240699.db2.gz UDRQCZMPQKAKBF-UHFFFAOYSA-N 1 0 318.417 2.132 10 0 DEAERO Cc1ccc(OCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000261914702 145241360 /nfs/dbraw/zinc/24/13/60/145241360.db2.gz XYIGFVDHAVWDAD-IYBDPMFKSA-N 1 0 302.418 2.140 10 0 DEAERO CCc1ccc(O)c(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261924552 145242696 /nfs/dbraw/zinc/24/26/96/145242696.db2.gz SBTMGKJBROWVBO-CDHAZOANSA-N 1 0 318.417 2.426 10 0 DEAERO [NH3+][C@H](CNC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)F)C1CC1 ZINC000261940560 145244929 /nfs/dbraw/zinc/24/49/29/145244929.db2.gz NDSAWAJWZTVXNV-RWMBFGLXSA-N 1 0 310.344 2.245 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCc1ccccc1F ZINC000261958524 145247299 /nfs/dbraw/zinc/24/72/99/145247299.db2.gz XKAUKDGLVBPWKU-JOQOYGCGSA-N 1 0 320.408 2.017 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000261958725 145247403 /nfs/dbraw/zinc/24/74/03/145247403.db2.gz MEOYIDPEZAGWAC-IATRGZMQSA-N 1 0 315.417 2.090 10 0 DEAERO CC(C)n1ncc2cc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)cnc21 ZINC000261963741 145247842 /nfs/dbraw/zinc/24/78/42/145247842.db2.gz LEGMHSZGHUOCFF-AWEZNQCLSA-N 1 0 315.421 2.212 10 0 DEAERO COc1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)ccc1C ZINC000261970355 145247973 /nfs/dbraw/zinc/24/79/73/145247973.db2.gz QMWQBYXQMONTOM-KURKYZTESA-N 1 0 318.461 2.293 10 0 DEAERO Cc1cccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261983534 145250341 /nfs/dbraw/zinc/25/03/41/145250341.db2.gz ASIWEZPAVYQBTK-IIDMSEBBSA-N 1 0 302.418 2.144 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)C1C[NH2+]C1 ZINC000262018163 145253977 /nfs/dbraw/zinc/25/39/77/145253977.db2.gz CQSTWQYNWHMWRU-LLVKDONJSA-N 1 0 303.406 2.009 10 0 DEAERO Fc1cccc(F)c1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000262053911 145257931 /nfs/dbraw/zinc/25/79/31/145257931.db2.gz ZXVGACKZLKXNCW-IAOVAPTHSA-N 1 0 310.388 2.254 10 0 DEAERO COc1ccc(OCCN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000262263960 145272314 /nfs/dbraw/zinc/27/23/14/145272314.db2.gz RRLHCBVATUQRLQ-SFHVURJKSA-N 1 0 313.401 2.116 10 0 DEAERO CC(C)C(=O)Nc1ccc(N[C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000262298433 145274193 /nfs/dbraw/zinc/27/41/93/145274193.db2.gz OFGKJVBPSJSZJU-CZUORRHYSA-N 1 0 305.422 2.460 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)NCCOc1ccc(C(F)(F)F)cn1 ZINC000262305461 145274827 /nfs/dbraw/zinc/27/48/27/145274827.db2.gz MDQHVSGRMRGUJB-ZDUSSCGKSA-N 1 0 319.327 2.113 10 0 DEAERO C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CC[NH2+]1 ZINC000262310488 145276136 /nfs/dbraw/zinc/27/61/36/145276136.db2.gz BKRGZUNJXSHJRA-AAEUAGOBSA-N 1 0 301.390 2.288 10 0 DEAERO Cc1ccc(O)c(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000262425991 145283293 /nfs/dbraw/zinc/28/32/93/145283293.db2.gz FKGQVQCCVOYFQP-PZSREKOKSA-N 1 0 304.390 2.172 10 0 DEAERO C[C@H]1C[C@@H](C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)CC[NH2+]1 ZINC000262429111 145283768 /nfs/dbraw/zinc/28/37/68/145283768.db2.gz WIFBFYBDAJOCBV-RYQLBKOJSA-N 1 0 316.445 2.235 10 0 DEAERO C[C@H]1CCN(CC(=O)N2CCCc3ccccc32)[C@H](C[NH3+])C1 ZINC000262504459 145289027 /nfs/dbraw/zinc/28/90/27/145289027.db2.gz MIIJZKMKOQMJNI-HOCLYGCPSA-N 1 0 301.434 2.025 10 0 DEAERO C[C@@H](NC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000262542355 145291080 /nfs/dbraw/zinc/29/10/80/145291080.db2.gz RGUBAVOLXIBAHT-IUODEOHRSA-N 1 0 307.413 2.062 10 0 DEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262606257 145296287 /nfs/dbraw/zinc/29/62/87/145296287.db2.gz BRGAGCBBQYTQGG-IKGGRYGDSA-N 1 0 304.434 2.394 10 0 DEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262606258 145296382 /nfs/dbraw/zinc/29/63/82/145296382.db2.gz BRGAGCBBQYTQGG-ULQDDVLXSA-N 1 0 304.434 2.394 10 0 DEAERO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000262626975 145297129 /nfs/dbraw/zinc/29/71/29/145297129.db2.gz LPHURHHZXCHCGY-NWDGAFQWSA-N 1 0 306.410 2.026 10 0 DEAERO FC(F)(F)c1cnc(OCCNC2=[NH+]CCCN2)c(Cl)c1 ZINC000262701427 145300691 /nfs/dbraw/zinc/30/06/91/145300691.db2.gz YYIFGCJWMKXLQR-UHFFFAOYSA-N 1 0 322.718 2.072 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(Br)cs1 ZINC000262711815 145301580 /nfs/dbraw/zinc/30/15/80/145301580.db2.gz CUSDSPILMRMPQK-APPZFPTMSA-N 1 0 303.225 2.238 10 0 DEAERO Cc1cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c(Cl)cc1F ZINC000262726843 145302357 /nfs/dbraw/zinc/30/23/57/145302357.db2.gz BCOMCJNDEMWHON-SNVBAGLBSA-N 1 0 320.817 2.065 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(Cl)cc1F ZINC000262763244 145304039 /nfs/dbraw/zinc/30/40/39/145304039.db2.gz GNPORYCHMRLEEL-ZJUUUORDSA-N 1 0 320.817 2.206 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2c[nH]nc2-c2ccc(F)cc2)CC[NH2+]1 ZINC000262829084 145307058 /nfs/dbraw/zinc/30/70/58/145307058.db2.gz HRAQUEKHIZAETN-ZWNOBZJWSA-N 1 0 302.353 2.086 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cc(C3CCCCC3)[nH]n2)n1 ZINC000263190784 145334110 /nfs/dbraw/zinc/33/41/10/145334110.db2.gz HWDKUFXUSUONQZ-CQSZACIVSA-N 1 0 316.409 2.084 10 0 DEAERO CC(C)c1cccc(OCc2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263186971 145334168 /nfs/dbraw/zinc/33/41/68/145334168.db2.gz HKZALDPKQKCMEP-OAHLLOKOSA-N 1 0 316.405 2.348 10 0 DEAERO CC(C)c1cccc(OCc2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263186969 145334198 /nfs/dbraw/zinc/33/41/98/145334198.db2.gz HKZALDPKQKCMEP-HNNXBMFYSA-N 1 0 316.405 2.348 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cc(C3CCCCC3)[nH]n2)n1 ZINC000263190781 145334312 /nfs/dbraw/zinc/33/43/12/145334312.db2.gz HWDKUFXUSUONQZ-AWEZNQCLSA-N 1 0 316.409 2.084 10 0 DEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H](O)c1ccc(Cl)s1 ZINC000263197896 145335516 /nfs/dbraw/zinc/33/55/16/145335516.db2.gz IRQYZCFNDDUTBT-RULNRJAQSA-N 1 0 316.854 2.459 10 0 DEAERO O[C@@H](CC[NH2+]Cc1ncc(Br)s1)C(F)(F)F ZINC000336659981 145396562 /nfs/dbraw/zinc/39/65/62/145396562.db2.gz AZUKQEOSUHKNDH-YFKPBYRVSA-N 1 0 319.146 2.309 10 0 DEAERO COC1([C@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)CCOCC1 ZINC000453054300 292146743 /nfs/dbraw/zinc/14/67/43/292146743.db2.gz HIIPEZBJMQNRHZ-RDJZCZTQSA-N 1 0 306.450 2.463 10 0 DEAERO CC(C)[C@@H](C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC000349570628 146386862 /nfs/dbraw/zinc/38/68/62/146386862.db2.gz SWOVKRZNVOQIME-KGLIPLIRSA-N 1 0 320.437 2.239 10 0 DEAERO CN(C(=O)c1ccncc1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000357255529 147074285 /nfs/dbraw/zinc/07/42/85/147074285.db2.gz MMYJXDPXALDIQE-ZDUSSCGKSA-N 1 0 324.222 2.010 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)CN1C1CC1 ZINC000358297050 147107801 /nfs/dbraw/zinc/10/78/01/147107801.db2.gz LOFFPQKEQVBOFR-IJEWVQPXSA-N 1 0 302.418 2.431 10 0 DEAERO CC(C)[C@@H](CNC(=O)NCCc1cn[nH]c1)[NH+]1CCCCCC1 ZINC000358469923 147140452 /nfs/dbraw/zinc/14/04/52/147140452.db2.gz SKIAGUQRNXHLMH-MRXNPFEDSA-N 1 0 321.469 2.152 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCc1cccc(OC)n1 ZINC000358881044 147224112 /nfs/dbraw/zinc/22/41/12/147224112.db2.gz CXEWRCHWYMHVNQ-AWEZNQCLSA-N 1 0 322.453 2.052 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360716426 147373009 /nfs/dbraw/zinc/37/30/09/147373009.db2.gz WKPVKRYZEYRBDY-CYBMUJFWSA-N 1 0 315.421 2.046 10 0 DEAERO c1nc([C@@H]2CCC[N@@H+](CCC3OCCO3)C2)n2c1CCCC2 ZINC000370305456 148005320 /nfs/dbraw/zinc/00/53/20/148005320.db2.gz KRDFPEDAPOWNBM-CQSZACIVSA-N 1 0 305.422 2.162 10 0 DEAERO Cn1cnnc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000370810423 148053121 /nfs/dbraw/zinc/05/31/21/148053121.db2.gz NZFPFEIGXZPQTN-ALOPSCKCSA-N 1 0 311.433 2.100 10 0 DEAERO CC(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000371236692 148076119 /nfs/dbraw/zinc/07/61/19/148076119.db2.gz QNAHWMZIUCIOEZ-IRXDYDNUSA-N 1 0 300.402 2.493 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCOc1ccc(F)cc1 ZINC000371292499 148083868 /nfs/dbraw/zinc/08/38/68/148083868.db2.gz CISHFHSAFBMPJP-KBAYOESNSA-N 1 0 322.424 2.388 10 0 DEAERO c1cn(-c2ccc(C[NH2+][C@@H]3CCO[C@]4(CCOC4)C3)cc2)cn1 ZINC000371402023 148098729 /nfs/dbraw/zinc/09/87/29/148098729.db2.gz UGXZZDTXMUCFDO-SJLPKXTDSA-N 1 0 313.401 2.300 10 0 DEAERO O=C(Cn1ncc2ccccc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000371597149 148121692 /nfs/dbraw/zinc/12/16/92/148121692.db2.gz NJDQUQDRZAFWIW-MRXNPFEDSA-N 1 0 312.417 2.123 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372383156 148201899 /nfs/dbraw/zinc/20/18/99/148201899.db2.gz AYFZHUJIBGLWBL-AWEZNQCLSA-N 1 0 320.481 2.486 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372383159 148202280 /nfs/dbraw/zinc/20/22/80/148202280.db2.gz AYFZHUJIBGLWBL-CQSZACIVSA-N 1 0 320.481 2.486 10 0 DEAERO C[C@@H]1COCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000374362637 148235662 /nfs/dbraw/zinc/23/56/62/148235662.db2.gz RRCVVCLMUSMKHI-HNNXBMFYSA-N 1 0 302.418 2.391 10 0 DEAERO C[N@@H+](Cc1cccc2ccccc21)C[C@H](O)CN1CCCC1=O ZINC000111684057 401721159 /nfs/dbraw/zinc/72/11/59/401721159.db2.gz VXLJUKRFPOAKPL-KRWDZBQOSA-N 1 0 312.413 2.255 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1=CCCCO1 ZINC000073764803 401721380 /nfs/dbraw/zinc/72/13/80/401721380.db2.gz ACEBJSACESDCDT-HOCLYGCPSA-N 1 0 315.417 2.103 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NC[C@@H](OC)C(C)(C)C)CC1 ZINC000073953126 401725850 /nfs/dbraw/zinc/72/58/50/401725850.db2.gz MRYXQOSFFKDZQK-OAHLLOKOSA-N 1 0 313.486 2.469 10 0 DEAERO C[C@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccc2ccccc2c1 ZINC000112545969 401748717 /nfs/dbraw/zinc/74/87/17/401748717.db2.gz UFSKBCRHFGAIJX-ZDUSSCGKSA-N 1 0 311.385 2.432 10 0 DEAERO COc1ccc(CNC(=O)CN(C)[C@H](C)c2ccncc2)cc1 ZINC000127662796 401744557 /nfs/dbraw/zinc/74/45/57/401744557.db2.gz LLBSORCBCPMFKD-CQSZACIVSA-N 1 0 313.401 2.399 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2CCC(COC)CC2)CC1 ZINC000112449120 401745878 /nfs/dbraw/zinc/74/58/78/401745878.db2.gz SRBLACXAMGIPIU-UHFFFAOYSA-N 1 0 311.470 2.176 10 0 DEAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)cc1F ZINC000126710688 401705454 /nfs/dbraw/zinc/70/54/54/401705454.db2.gz IMUIMUJMKWORCP-NEPJUHHUSA-N 1 0 309.385 2.407 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)c[nH]2)CC[N@@H+]1C ZINC000127725832 401747513 /nfs/dbraw/zinc/74/75/13/401747513.db2.gz WKEAFYSXPQGGTE-MWLCHTKSSA-N 1 0 314.227 2.332 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(C)ccc1OC ZINC000127060412 401718851 /nfs/dbraw/zinc/71/88/51/401718851.db2.gz CECWONHPTHESOJ-ZIAGYGMSSA-N 1 0 318.421 2.489 10 0 DEAERO CCO[C@H](C)c1noc(CN2CCC([NH+]3CCCC3)CC2)n1 ZINC000076727507 401799456 /nfs/dbraw/zinc/79/94/56/401799456.db2.gz VOTWKCPAYJXTNX-CYBMUJFWSA-N 1 0 308.426 2.227 10 0 DEAERO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494245 401802537 /nfs/dbraw/zinc/80/25/37/401802537.db2.gz BFMKHMWJGUNIIV-YOEHRIQHSA-N 1 0 307.438 2.431 10 0 DEAERO CCOc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OC ZINC000013727743 401804165 /nfs/dbraw/zinc/80/41/65/401804165.db2.gz KSHPYKBSCLKXNZ-UHFFFAOYSA-N 1 0 306.406 2.196 10 0 DEAERO c1ccc(OCCCC[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000129652091 401806837 /nfs/dbraw/zinc/80/68/37/401806837.db2.gz CCJMPUDGJWPLNW-GOSISDBHSA-N 1 0 318.461 2.500 10 0 DEAERO Cc1cccc(C)c1OCCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000112697945 401754798 /nfs/dbraw/zinc/75/47/98/401754798.db2.gz ZZMXHAPUQAFHEU-QGZVFWFLSA-N 1 0 306.450 2.335 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@H](C)N2CCC([NH+](C)C)CC2)c1 ZINC000127932169 401756099 /nfs/dbraw/zinc/75/60/99/401756099.db2.gz YBVZGHBWOJZOAB-ZDUSSCGKSA-N 1 0 317.433 2.242 10 0 DEAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(C)COC2)C1 ZINC000112720414 401756584 /nfs/dbraw/zinc/75/65/84/401756584.db2.gz IADCZAAAUZHMQB-AWEZNQCLSA-N 1 0 311.470 2.223 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC([NH+](C)C)CC1 ZINC000127963351 401757774 /nfs/dbraw/zinc/75/77/74/401757774.db2.gz YYCQRZCBZFWJEH-NSHDSACASA-N 1 0 310.829 2.088 10 0 DEAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000075714588 401766855 /nfs/dbraw/zinc/76/68/55/401766855.db2.gz GOPVWFKIUHRBNR-CHWSQXEVSA-N 1 0 316.380 2.097 10 0 DEAERO CC(C)[N@H+](Cc1cc(=O)n2ccsc2n1)C1CCOCC1 ZINC000077323237 401809978 /nfs/dbraw/zinc/80/99/78/401809978.db2.gz ZWMALQGFLLZMNF-UHFFFAOYSA-N 1 0 307.419 2.145 10 0 DEAERO C[N@@H+]1CC[C@@H](CNC(=O)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000113153191 401768839 /nfs/dbraw/zinc/76/88/39/401768839.db2.gz DZIHOWBVMWQPAQ-LBPRGKRZSA-N 1 0 317.364 2.091 10 0 DEAERO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000113185604 401769488 /nfs/dbraw/zinc/76/94/88/401769488.db2.gz UOCWWPYSXVZWCM-OAHLLOKOSA-N 1 0 317.364 2.234 10 0 DEAERO Cc1c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cnn1-c1ccccc1 ZINC000113224760 401770706 /nfs/dbraw/zinc/77/07/06/401770706.db2.gz SUECECRERBXQJL-WMLDXEAASA-N 1 0 324.428 2.489 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOCc1ccccc1 ZINC000113229578 401771497 /nfs/dbraw/zinc/77/14/97/401771497.db2.gz MJPVXRNUGSVZCY-NVXWUHKLSA-N 1 0 302.418 2.288 10 0 DEAERO COc1ccccc1CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113232323 401771808 /nfs/dbraw/zinc/77/18/08/401771808.db2.gz QTOFYFBLNBZNKQ-GDBMZVCRSA-N 1 0 302.418 2.323 10 0 DEAERO Cc1ccc(C)c(OCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113233333 401772470 /nfs/dbraw/zinc/77/24/70/401772470.db2.gz VOLPSUIDEIXMCM-JKSUJKDBSA-N 1 0 302.418 2.377 10 0 DEAERO CCN(C(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)C1CCCCC1 ZINC000113271058 401774652 /nfs/dbraw/zinc/77/46/52/401774652.db2.gz GWMCMZATQDHXAJ-RDJZCZTQSA-N 1 0 307.482 2.336 10 0 DEAERO COc1cccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000075968741 401775102 /nfs/dbraw/zinc/77/51/02/401775102.db2.gz BHEAARFQALRIFA-KRWDZBQOSA-N 1 0 304.434 2.382 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)cn1 ZINC000128427954 401776777 /nfs/dbraw/zinc/77/67/77/401776777.db2.gz KPTWWHGLRXXBTM-MRXNPFEDSA-N 1 0 311.433 2.405 10 0 DEAERO CC[NH+](CC)C[C@H]1CCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000076004807 401777658 /nfs/dbraw/zinc/77/76/58/401777658.db2.gz QSVXEAIUCKTNOS-CYBMUJFWSA-N 1 0 304.394 2.493 10 0 DEAERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCc1ccc(F)cc1 ZINC000128480645 401778892 /nfs/dbraw/zinc/77/88/92/401778892.db2.gz JEWHQAPBWQJNOM-CRAIPNDOSA-N 1 0 320.408 2.069 10 0 DEAERO CC(=O)NC[C@H]1CCC2(CC[NH+](CCc3ccccc3)CC2)O1 ZINC000012051851 401779015 /nfs/dbraw/zinc/77/90/15/401779015.db2.gz AMDDSUSPMYFHPD-GOSISDBHSA-N 1 0 316.445 2.379 10 0 DEAERO CCc1nc(CCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cs1 ZINC000113611789 401783933 /nfs/dbraw/zinc/78/39/33/401783933.db2.gz LBKPSQPCQBGRQU-GXTWGEPZSA-N 1 0 322.478 2.126 10 0 DEAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000128696812 401788371 /nfs/dbraw/zinc/78/83/71/401788371.db2.gz FQOADIBAFAZAHF-CHWSQXEVSA-N 1 0 320.343 2.150 10 0 DEAERO Cc1cc(OC(F)F)c(C(=O)N2CC[C@H]([NH+](C)C)C2)s1 ZINC000114328131 401796401 /nfs/dbraw/zinc/79/64/01/401796401.db2.gz YTLSWGGQFVKKTH-VIFPVBQESA-N 1 0 304.362 2.434 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)C1(c2cccc(F)c2)CC1 ZINC000115334862 401824333 /nfs/dbraw/zinc/82/43/33/401824333.db2.gz AYZUJPNFWBSKAI-UHFFFAOYSA-N 1 0 320.408 2.086 10 0 DEAERO CN1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)CCC1=O ZINC000077899909 401836043 /nfs/dbraw/zinc/83/60/43/401836043.db2.gz JVINKHKEXWKWHL-SNVBAGLBSA-N 1 0 315.186 2.299 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc2c(c1)CCCC2 ZINC000130715314 401838050 /nfs/dbraw/zinc/83/80/50/401838050.db2.gz ZRDAIQAXCIVQOY-INIZCTEOSA-N 1 0 302.418 2.155 10 0 DEAERO CC[C@H]1COCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115844737 401838807 /nfs/dbraw/zinc/83/88/07/401838807.db2.gz JLVVWXOGIAYQLI-HNNXBMFYSA-N 1 0 323.412 2.208 10 0 DEAERO COCC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000116538060 401854140 /nfs/dbraw/zinc/85/41/40/401854140.db2.gz TYKQVYAVPJYYLP-HNNXBMFYSA-N 1 0 321.421 2.237 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCC2(O)CCCCCC2)[C@@H](C)C1 ZINC000131728253 401855355 /nfs/dbraw/zinc/85/53/55/401855355.db2.gz NOWMSBPAJAOBKX-GJZGRUSLSA-N 1 0 311.470 2.100 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000131720964 401855564 /nfs/dbraw/zinc/85/55/64/401855564.db2.gz INRYOFNDTSRFAZ-UONOGXRCSA-N 1 0 319.453 2.055 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000116784511 401858450 /nfs/dbraw/zinc/85/84/50/401858450.db2.gz UFSGWTMUEDADBN-JTQLQIEISA-N 1 0 317.216 2.396 10 0 DEAERO CCSCc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116784884 401858491 /nfs/dbraw/zinc/85/84/91/401858491.db2.gz DCMXKHSWWJBAJL-MRXNPFEDSA-N 1 0 322.474 2.342 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)c2ccc[nH]c2=S)C[C@H]1CC ZINC000116771472 401858873 /nfs/dbraw/zinc/85/88/73/401858873.db2.gz DXCRGGCYZHCNFQ-CYBMUJFWSA-N 1 0 323.462 2.317 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCOC[C@H]1c1ccc(C)o1 ZINC000117031571 401867102 /nfs/dbraw/zinc/86/71/02/401867102.db2.gz XVVFTLBVEGPWDX-ZFWWWQNUSA-N 1 0 323.437 2.401 10 0 DEAERO COCCC1(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCCC1 ZINC000119103192 401926259 /nfs/dbraw/zinc/92/62/59/401926259.db2.gz XIIRFZDDDKOLRW-MRXNPFEDSA-N 1 0 323.481 2.463 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000119198425 401932507 /nfs/dbraw/zinc/93/25/07/401932507.db2.gz GWARQBKJCWWWMF-CVEARBPZSA-N 1 0 309.454 2.119 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1sc(COC)nc1C ZINC000119215315 401933683 /nfs/dbraw/zinc/93/36/83/401933683.db2.gz VFZIZGGMAUGNKG-GFCCVEGCSA-N 1 0 311.451 2.154 10 0 DEAERO CC[C@@H]1CN(C(=O)CCc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000117304103 401873728 /nfs/dbraw/zinc/87/37/28/401873728.db2.gz KAKIHKYKKQPXKX-QGZVFWFLSA-N 1 0 322.424 2.328 10 0 DEAERO CC[C@H]1CN(C(=O)Nc2ccccc2F)CC[N@@H+]1CCOC ZINC000117399234 401876432 /nfs/dbraw/zinc/87/64/32/401876432.db2.gz SQHLPFYCOKNNSB-ZDUSSCGKSA-N 1 0 309.385 2.400 10 0 DEAERO CC(C)C[C@@H](C)NC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000133419912 401886035 /nfs/dbraw/zinc/88/60/35/401886035.db2.gz XJMBBMYXFXZBGS-CVEARBPZSA-N 1 0 311.470 2.317 10 0 DEAERO CCCCc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000118106422 401891532 /nfs/dbraw/zinc/89/15/32/401891532.db2.gz DGSJPIHKLIVCHK-INIZCTEOSA-N 1 0 317.433 2.178 10 0 DEAERO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083403392 401901451 /nfs/dbraw/zinc/90/14/51/401901451.db2.gz ADIKJWQKYMYWJH-KBPBESRZSA-N 1 0 320.433 2.408 10 0 DEAERO COCCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036095468 401901974 /nfs/dbraw/zinc/90/19/74/401901974.db2.gz AOBHZAHGAYSIFA-KRWDZBQOSA-N 1 0 313.413 2.450 10 0 DEAERO Cc1cc([C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CCO2)ccc1F ZINC000134826719 401916229 /nfs/dbraw/zinc/91/62/29/401916229.db2.gz UXPNLFIPVZSPHS-INIZCTEOSA-N 1 0 308.397 2.374 10 0 DEAERO CC[NH+]1CCN(c2cc(Oc3ccc(OC)cc3)ncn2)CC1 ZINC000037623783 401916540 /nfs/dbraw/zinc/91/65/40/401916540.db2.gz WVIHRPZGFKNYJG-UHFFFAOYSA-N 1 0 314.389 2.419 10 0 DEAERO O=C(c1ccccc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037845333 401917715 /nfs/dbraw/zinc/91/77/15/401917715.db2.gz WGNZNXZIWLQGTB-LLVKDONJSA-N 1 0 309.207 2.369 10 0 DEAERO CCC[C@](C)(CO)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000086369834 401922536 /nfs/dbraw/zinc/92/25/36/401922536.db2.gz IBGZOEXYOTZTEI-SJLPKXTDSA-N 1 0 321.465 2.010 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)N[C@@H](CO)c2ccccc2)CC1 ZINC000119068426 401923585 /nfs/dbraw/zinc/92/35/85/401923585.db2.gz IDXDQSAEUIBFSF-PREGVCBESA-N 1 0 319.449 2.140 10 0 DEAERO O=C(c1cccc(Br)c1)N1CC[NH+]2CCC1CC2 ZINC000038927186 401924023 /nfs/dbraw/zinc/92/40/23/401924023.db2.gz OGZLAVDBQCWTRH-UHFFFAOYSA-N 1 0 309.207 2.369 10 0 DEAERO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccncc1 ZINC000136340915 401966264 /nfs/dbraw/zinc/96/62/64/401966264.db2.gz YEGWVWKUBUTRBL-NUEKZKHPSA-N 1 0 302.422 2.268 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000089827348 401966846 /nfs/dbraw/zinc/96/68/46/401966846.db2.gz IOJUZRLZEBCQJS-UPJWGTAASA-N 1 0 321.446 2.303 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2cc(F)ccc2F)[C@@H](C)C1 ZINC000119871363 401969342 /nfs/dbraw/zinc/96/93/42/401969342.db2.gz IRXNGSMEKMAMQP-NHYWBVRUSA-N 1 0 311.376 2.493 10 0 DEAERO CC(=O)N1CC[C@H](C[N@H+](C)CCN2CCCc3ccccc32)C1 ZINC000090589684 401984943 /nfs/dbraw/zinc/98/49/43/401984943.db2.gz GAFQVAONCAZRET-QGZVFWFLSA-N 1 0 315.461 2.239 10 0 DEAERO CCC[C@H](C(=O)NCc1cccc(Cn2cccn2)c1)[NH+](C)C ZINC000137636766 401985029 /nfs/dbraw/zinc/98/50/29/401985029.db2.gz USPZJERFIJZAJB-QGZVFWFLSA-N 1 0 314.433 2.278 10 0 DEAERO CC(C)(C)c1nc(CC[NH2+]C2CCN(C(N)=O)CC2)cs1 ZINC000090948863 401989561 /nfs/dbraw/zinc/98/95/61/401989561.db2.gz NNVWLSVYBNLTFG-UHFFFAOYSA-N 1 0 310.467 2.116 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000048060732 401992863 /nfs/dbraw/zinc/99/28/63/401992863.db2.gz RVYBWFIBKXKLLQ-KFWWJZLASA-N 1 0 323.437 2.448 10 0 DEAERO Cc1cc(C)cc(CCC(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000120518759 401993020 /nfs/dbraw/zinc/99/30/20/401993020.db2.gz KAKSCNIQMSQHGJ-UHFFFAOYSA-N 1 0 318.461 2.465 10 0 DEAERO Cc1ccc(C)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000150793014 401995852 /nfs/dbraw/zinc/99/58/52/401995852.db2.gz BRDKQGQCZMCIDB-GOEBONIOSA-N 1 0 317.433 2.087 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](O)c1cccc(F)c1 ZINC000089341071 401942695 /nfs/dbraw/zinc/94/26/95/401942695.db2.gz NCFYBCHTJJMLEZ-IAGOWNOFSA-N 1 0 322.424 2.486 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(COC)cc1 ZINC000049039905 402011330 /nfs/dbraw/zinc/01/13/30/402011330.db2.gz PJDVIJBUVLJWOA-AWEZNQCLSA-N 1 0 307.438 2.363 10 0 DEAERO CCc1nc2ccccc2n1C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000093301871 402013468 /nfs/dbraw/zinc/01/34/68/402013468.db2.gz OLJYIIBMTJYACV-INIZCTEOSA-N 1 0 312.417 2.124 10 0 DEAERO Cc1ccccc1[C@@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000049172806 402013501 /nfs/dbraw/zinc/01/35/01/402013501.db2.gz DEKSCPILBCYQFF-HZPDHXFCSA-N 1 0 319.449 2.202 10 0 DEAERO Cc1ccccc1[C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000049172808 402013856 /nfs/dbraw/zinc/01/38/56/402013856.db2.gz DEKSCPILBCYQFF-JKSUJKDBSA-N 1 0 319.449 2.202 10 0 DEAERO CCC[C@@H](C(=O)NC[C@@H](C)Oc1cccc(OC)c1)[NH+](C)C ZINC000121193799 402019369 /nfs/dbraw/zinc/01/93/69/402019369.db2.gz MEYKZTWDOJDOCB-CJNGLKHVSA-N 1 0 308.422 2.309 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000093994645 402021796 /nfs/dbraw/zinc/02/17/96/402021796.db2.gz SOYYJLILDMNPQR-QWHCGFSZSA-N 1 0 318.417 2.318 10 0 DEAERO C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000151237208 402025124 /nfs/dbraw/zinc/02/51/24/402025124.db2.gz KGSLAZZEEPBJGY-AWEZNQCLSA-N 1 0 309.454 2.071 10 0 DEAERO CC[NH2+][C@@H](CCO)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095091390 402025910 /nfs/dbraw/zinc/02/59/10/402025910.db2.gz BAILZXAZBHRSGC-IRXDYDNUSA-N 1 0 320.433 2.396 10 0 DEAERO C[NH+](C)CCOc1ccccc1C(=O)NCCc1nccs1 ZINC000050772408 402030040 /nfs/dbraw/zinc/03/00/40/402030040.db2.gz MFCNRHNKEAXFJP-UHFFFAOYSA-N 1 0 319.430 2.056 10 0 DEAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000121392497 402032746 /nfs/dbraw/zinc/03/27/46/402032746.db2.gz QBLKTQAGYQEVMK-KWBADKCTSA-N 1 0 301.383 2.057 10 0 DEAERO Cc1cccc([C@H](O)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000121391518 402032842 /nfs/dbraw/zinc/03/28/42/402032842.db2.gz UQOMLDJWXOJNPY-DLBZAZTESA-N 1 0 321.465 2.304 10 0 DEAERO COC(=O)C[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000121420300 402035210 /nfs/dbraw/zinc/03/52/10/402035210.db2.gz YZTUSLMPAGGSHR-CQSZACIVSA-N 1 0 318.417 2.098 10 0 DEAERO O[C@@H](C[N@H+](CCc1ccccc1)[C@@H]1CCOC1)C(F)(F)F ZINC000121457363 402037302 /nfs/dbraw/zinc/03/73/02/402037302.db2.gz NZIJRNZVRGOPDT-KGLIPLIRSA-N 1 0 303.324 2.243 10 0 DEAERO CCOC(=O)c1cnc2cc(Cl)ccc2c1N1CC[NH2+]CC1 ZINC000053994910 402061165 /nfs/dbraw/zinc/06/11/65/402061165.db2.gz DIKHDMLZKGIUNX-UHFFFAOYSA-N 1 0 319.792 2.475 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2c(F)cccc2F)C1 ZINC000052553040 402043709 /nfs/dbraw/zinc/04/37/09/402043709.db2.gz GRAAYFVNIGBONR-GFCCVEGCSA-N 1 0 311.376 2.291 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCOc2ccccc2C)C1 ZINC000052593447 402044256 /nfs/dbraw/zinc/04/42/56/402044256.db2.gz KQTPTXDLVVXEHH-INIZCTEOSA-N 1 0 319.449 2.500 10 0 DEAERO O=C(C[N@H+]1CCC[C@@H]1CCCO)NCc1ccc(Cl)cc1 ZINC000052762889 402046162 /nfs/dbraw/zinc/04/61/62/402046162.db2.gz QXYDKPQZOYJMTR-OAHLLOKOSA-N 1 0 310.825 2.193 10 0 DEAERO O=S(=O)(/C=C/c1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151634583 402047314 /nfs/dbraw/zinc/04/73/14/402047314.db2.gz UXRSYFSCRLDSNZ-JZUUQJBKSA-N 1 0 320.458 2.405 10 0 DEAERO CCOCCC1(CNC(=O)N[C@@H]2CCC[N@H+](CC)C2)CCC1 ZINC000151642471 402048349 /nfs/dbraw/zinc/04/83/49/402048349.db2.gz SQJLRJVCQBKROO-OAHLLOKOSA-N 1 0 311.470 2.367 10 0 DEAERO CCc1nnc(CN2CCC(CCC[NH+]3CCCC3)CC2)n1C ZINC000121768028 402051593 /nfs/dbraw/zinc/05/15/93/402051593.db2.gz ZTAPJBZRCFROIP-UHFFFAOYSA-N 1 0 319.497 2.466 10 0 DEAERO CCC[C@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CCN1CCOC ZINC000121798289 402052912 /nfs/dbraw/zinc/05/29/12/402052912.db2.gz HQVCQAOZQCBYTB-OALUTQOASA-N 1 0 320.477 2.327 10 0 DEAERO COc1cc(OC)cc(OCCCN(C)Cc2nccn2C)c1 ZINC000121940332 402057071 /nfs/dbraw/zinc/05/70/71/402057071.db2.gz VCBGMRZZMHFHJP-UHFFFAOYSA-N 1 0 319.405 2.338 10 0 DEAERO Cc1cccc(OCCNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000150853780 402000685 /nfs/dbraw/zinc/00/06/85/402000685.db2.gz DGNNFTFTDKSQFY-RDJZCZTQSA-N 1 0 319.449 2.402 10 0 DEAERO CCN(CC)C(=O)CCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000150867568 402001521 /nfs/dbraw/zinc/00/15/21/402001521.db2.gz VJNNQDORXSQGTJ-INIZCTEOSA-N 1 0 323.481 2.112 10 0 DEAERO CCOCCN1CC[N@H+](CCCCn2ccnc2C)C[C@H]1CC ZINC000120771628 402001638 /nfs/dbraw/zinc/00/16/38/402001638.db2.gz MQWNIEMHKREFQP-GOSISDBHSA-N 1 0 322.497 2.404 10 0 DEAERO COCC[N@@H+]1CCN(Cc2c[nH]nc2-c2ccc(C)o2)C[C@H]1C ZINC000120788552 402002494 /nfs/dbraw/zinc/00/24/94/402002494.db2.gz NSWQRXLUOJUAQS-CYBMUJFWSA-N 1 0 318.421 2.131 10 0 DEAERO Cn1cc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000092849877 402009812 /nfs/dbraw/zinc/00/98/12/402009812.db2.gz SAJGBXOUHZCBJD-ZBFHGGJFSA-N 1 0 318.808 2.135 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)c2cc(-c3ccncc3)on2)CC[N@@H+]1C ZINC000123283554 402119887 /nfs/dbraw/zinc/11/98/87/402119887.db2.gz KNYIGTODTSMFSY-TZMCWYRMSA-N 1 0 314.389 2.291 10 0 DEAERO Cc1cccc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)n1 ZINC000122349315 402074386 /nfs/dbraw/zinc/07/43/86/402074386.db2.gz WEPNMCIAEVOULU-CQSZACIVSA-N 1 0 318.421 2.107 10 0 DEAERO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)on1 ZINC000055375961 402081398 /nfs/dbraw/zinc/08/13/98/402081398.db2.gz XVUSVBNCTHGQKX-QWRGUYRKSA-N 1 0 317.345 2.390 10 0 DEAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000152349365 402091150 /nfs/dbraw/zinc/09/11/50/402091150.db2.gz MIEKPHONBUSLFO-NVXWUHKLSA-N 1 0 304.434 2.453 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)c2cccc3c2OCCO3)CC[N@@H+]1C ZINC000122732700 402092287 /nfs/dbraw/zinc/09/22/87/402092287.db2.gz YPQWGYQVBPWVND-STQMWFEESA-N 1 0 304.390 2.013 10 0 DEAERO CC(C)OC(=O)CC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152426988 402095627 /nfs/dbraw/zinc/09/56/27/402095627.db2.gz OFMNSDHIDUOZJF-CYBMUJFWSA-N 1 0 306.410 2.134 10 0 DEAERO COCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123315397 402121676 /nfs/dbraw/zinc/12/16/76/402121676.db2.gz YSMHPXLGJFBCAQ-CVEARBPZSA-N 1 0 322.449 2.083 10 0 DEAERO O=C(NCCCC[NH+]1CCOCC1)NCCC1CCCCC1 ZINC000061977039 402108679 /nfs/dbraw/zinc/10/86/79/402108679.db2.gz KVNKUEJTZZXJQQ-UHFFFAOYSA-N 1 0 311.470 2.368 10 0 DEAERO CC[C@]1(C(=O)Nc2cc3c(cc2Cl)OCCO3)CC[NH2+]C1 ZINC000062891834 402110853 /nfs/dbraw/zinc/11/08/53/402110853.db2.gz KPDFCMSAGIRNRS-HNNXBMFYSA-N 1 0 310.781 2.439 10 0 DEAERO COc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1OC ZINC000123265914 402118698 /nfs/dbraw/zinc/11/86/98/402118698.db2.gz GIVUAVUBWYLFHN-LSDHHAIUSA-N 1 0 322.449 2.384 10 0 DEAERO C[C@@H](CNC(=O)N1CCC[C@@H]1C1CCCCC1)N1CCOCC1 ZINC000122104598 402061872 /nfs/dbraw/zinc/06/18/72/402061872.db2.gz GHZHBXFWOTYDNJ-DOTOQJQBSA-N 1 0 323.481 2.461 10 0 DEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000054074379 402062479 /nfs/dbraw/zinc/06/24/79/402062479.db2.gz NTNOCCLPMBWIDQ-RKDXNWHRSA-N 1 0 315.211 2.243 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000123372027 402124570 /nfs/dbraw/zinc/12/45/70/402124570.db2.gz NEUYHQCXAXZGEW-QGZVFWFLSA-N 1 0 313.449 2.492 10 0 DEAERO Cn1cc(C(=O)N2CCC([NH+](C)C)CC2)c(-c2cccs2)n1 ZINC000153364689 402140997 /nfs/dbraw/zinc/14/09/97/402140997.db2.gz ABSFSZIWAWLVME-UHFFFAOYSA-N 1 0 318.446 2.315 10 0 DEAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)N1CCOCC1 ZINC000123435239 402127855 /nfs/dbraw/zinc/12/78/55/402127855.db2.gz CEDPVUWTAZYXGP-HOTGVXAUSA-N 1 0 314.433 2.244 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccccc1N1CCOCC1 ZINC000123436862 402128147 /nfs/dbraw/zinc/12/81/47/402128147.db2.gz ZQCNQBGTIZFQLQ-SFHVURJKSA-N 1 0 317.477 2.439 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000123576466 402135761 /nfs/dbraw/zinc/13/57/61/402135761.db2.gz 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ZINC000124697394 402192379 /nfs/dbraw/zinc/19/23/79/402192379.db2.gz XCNDUPPUNLPMOZ-JKSUJKDBSA-N 1 0 316.449 2.383 10 0 DEAERO C[C@@H]1CCCC[C@@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000068316273 402192751 /nfs/dbraw/zinc/19/27/51/402192751.db2.gz BVEJMZQZLKLXIW-ZBFHGGJFSA-N 1 0 316.449 2.142 10 0 DEAERO CCOC(CN1CCO[C@@H](c2cccc(OC)c2)C1)OCC ZINC000124706782 402192854 /nfs/dbraw/zinc/19/28/54/402192854.db2.gz VWVAMRCKHQQXMX-MRXNPFEDSA-N 1 0 309.406 2.468 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)C(=O)c2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000124082511 402163153 /nfs/dbraw/zinc/16/31/53/402163153.db2.gz GDDLQCZIXPJGOA-SUMWQHHRSA-N 1 0 314.429 2.299 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1nnc(C(F)F)s1 ZINC000067586873 402163792 /nfs/dbraw/zinc/16/37/92/402163792.db2.gz MPJDEVQEYOGYQJ-MRVPVSSYSA-N 1 0 319.381 2.472 10 0 DEAERO Cc1ccc([C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)[NH+](C)C)cc1 ZINC000067648505 402165864 /nfs/dbraw/zinc/16/58/64/402165864.db2.gz DQNUBNVTLGGIOU-QGZVFWFLSA-N 1 0 323.396 2.301 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)CCOC[C@@H]1CCCO1 ZINC000124162679 402166839 /nfs/dbraw/zinc/16/68/39/402166839.db2.gz CRKVVXRCJOYPLD-HNNXBMFYSA-N 1 0 306.406 2.320 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCCO1)c1ccco1 ZINC000102905088 402174488 /nfs/dbraw/zinc/17/44/88/402174488.db2.gz PMIBZTPETDMNQZ-GJZGRUSLSA-N 1 0 323.437 2.483 10 0 DEAERO Cc1nnnn1-c1cc(NCc2nccn2C(C)C)ccc1F ZINC000124368358 402176897 /nfs/dbraw/zinc/17/68/97/402176897.db2.gz QKBNURORJPEILJ-UHFFFAOYSA-N 1 0 315.356 2.499 10 0 DEAERO CCCC(=O)NCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103092598 402178338 /nfs/dbraw/zinc/17/83/38/402178338.db2.gz HZFKGRCGAOZJGR-MRXNPFEDSA-N 1 0 323.481 2.017 10 0 DEAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)cc1F ZINC000069136419 402213868 /nfs/dbraw/zinc/21/38/68/402213868.db2.gz XRYNOGNGHAIVIO-PWSUYJOCSA-N 1 0 301.383 2.062 10 0 DEAERO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](CCC2OCCO2)C1 ZINC000125145984 402215509 /nfs/dbraw/zinc/21/55/09/402215509.db2.gz BVAZLYAGQQJTAO-HZPDHXFCSA-N 1 0 319.401 2.028 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(N2CCOC2=O)cc1 ZINC000154530145 402216897 /nfs/dbraw/zinc/21/68/97/402216897.db2.gz NENISEVDKXVLBB-BBRMVZONSA-N 1 0 303.406 2.388 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)C1CCCCC1 ZINC000106916669 402222422 /nfs/dbraw/zinc/22/24/22/402222422.db2.gz SXOUDDQRJFKVHP-ZWKOTPCHSA-N 1 0 318.461 2.217 10 0 DEAERO CCCc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[nH]n1 ZINC000107667630 402238071 /nfs/dbraw/zinc/23/80/71/402238071.db2.gz SKYLNEVLEWDRED-OAHLLOKOSA-N 1 0 304.438 2.453 10 0 DEAERO COC(=O)[C@H]1CCN(CC(=O)Nc2cccc(Cl)c2C)C1 ZINC000107823732 402241286 /nfs/dbraw/zinc/24/12/86/402241286.db2.gz DWOXWBWTPZIXKB-NSHDSACASA-N 1 0 310.781 2.082 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000108929176 402264598 /nfs/dbraw/zinc/26/45/98/402264598.db2.gz MOBDYGSZNUYEGJ-LSDHHAIUSA-N 1 0 317.433 2.336 10 0 DEAERO CCc1nc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cs1 ZINC000107853858 402242056 /nfs/dbraw/zinc/24/20/56/402242056.db2.gz HLXWFTXLRDKCLF-CYBMUJFWSA-N 1 0 308.451 2.085 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)n(-c3ccccc3)n2)C1 ZINC000107889104 402242995 /nfs/dbraw/zinc/24/29/95/402242995.db2.gz NNEITMOSJDCOBA-HNNXBMFYSA-N 1 0 312.417 2.252 10 0 DEAERO COc1ccc(CC(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1 ZINC000069810436 402244735 /nfs/dbraw/zinc/24/47/35/402244735.db2.gz MPTPMKLNTOOSEV-IRXDYDNUSA-N 1 0 302.418 2.323 10 0 DEAERO CC[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCN1CC(F)F ZINC000125692355 402245426 /nfs/dbraw/zinc/24/54/26/402245426.db2.gz HXDZGIODXWYFRV-KBPBESRZSA-N 1 0 317.424 2.049 10 0 DEAERO CCc1ccccc1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000125840711 402252801 /nfs/dbraw/zinc/25/28/01/402252801.db2.gz VEVMADRNPWIFLA-UHFFFAOYSA-N 1 0 319.449 2.161 10 0 DEAERO CCOc1ccc(OCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155421679 402256443 /nfs/dbraw/zinc/25/64/43/402256443.db2.gz CRSPZHOJWWZJCA-YOEHRIQHSA-N 1 0 320.433 2.309 10 0 DEAERO CCCO[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000108562000 402257070 /nfs/dbraw/zinc/25/70/70/402257070.db2.gz YISSUMHUPKKDFZ-HZPDHXFCSA-N 1 0 311.470 2.461 10 0 DEAERO CCCN(CC1CCCCC1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000105278867 402207702 /nfs/dbraw/zinc/20/77/02/402207702.db2.gz DJJKNCQZTTWRRN-MRXNPFEDSA-N 1 0 311.470 2.319 10 0 DEAERO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N3CCC(C)CC3)C2)c1 ZINC000105900174 402210813 /nfs/dbraw/zinc/21/08/13/402210813.db2.gz DGAZEOFYUINMAX-MRXNPFEDSA-N 1 0 304.438 2.087 10 0 DEAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2nncn2CC)CC1 ZINC000105929120 402211271 /nfs/dbraw/zinc/21/12/71/402211271.db2.gz XQDIIJRDQLJWCD-ZIAGYGMSSA-N 1 0 321.469 2.171 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)CSCc1cscn1 ZINC000125104535 402213048 /nfs/dbraw/zinc/21/30/48/402213048.db2.gz JHSPDKRGQXGBHN-LLVKDONJSA-N 1 0 301.481 2.223 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(F)cc2Br)C1 ZINC000071139979 402270379 /nfs/dbraw/zinc/27/03/79/402270379.db2.gz VSUHJVZUIAFSCI-SNVBAGLBSA-N 1 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/nfs/dbraw/zinc/28/65/25/402286525.db2.gz HXKNZDKUTLQEBR-IAGOWNOFSA-N 1 0 306.450 2.074 10 0 DEAERO CCO[C@H](CCNC(=O)NC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000176272400 402295745 /nfs/dbraw/zinc/29/57/45/402295745.db2.gz KGLYRQZVRAMFMY-JKSUJKDBSA-N 1 0 311.470 2.365 10 0 DEAERO CC(C)C[C@@H](C)C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000184863166 402305299 /nfs/dbraw/zinc/30/52/99/402305299.db2.gz HXCFZVFOTJZFDP-QAPCUYQASA-N 1 0 318.461 2.204 10 0 DEAERO CC(C)C[C@@H](C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000184863207 402305331 /nfs/dbraw/zinc/30/53/31/402305331.db2.gz HXCFZVFOTJZFDP-CRAIPNDOSA-N 1 0 318.461 2.204 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000184878561 402306332 /nfs/dbraw/zinc/30/63/32/402306332.db2.gz UECUDUOTKHXUCI-HNNXBMFYSA-N 1 0 315.421 2.178 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000176407892 402306456 /nfs/dbraw/zinc/30/64/56/402306456.db2.gz JLPUZLGRFWISBE-RYUDHWBXSA-N 1 0 311.451 2.325 10 0 DEAERO CCC1(CC)CN(CC(=O)N2CCCC[C@@H]2C)CC[S@@]1=O ZINC000185295753 402341724 /nfs/dbraw/zinc/34/17/24/402341724.db2.gz ZZESVPAMMBWVBI-QKKBWIMNSA-N 1 0 314.495 2.011 10 0 DEAERO COC(=O)c1cccc(OCC[N@H+](C)[C@H](CO)CC(C)C)c1 ZINC000185331446 402344488 /nfs/dbraw/zinc/34/44/88/402344488.db2.gz SAKACQAZFLARDN-HNNXBMFYSA-N 1 0 309.406 2.191 10 0 DEAERO CC[C@@H]1CN(Cc2cn3cc(C)ccc3n2)CC[N@@H+]1CCOC ZINC000176917243 402349754 /nfs/dbraw/zinc/34/97/54/402349754.db2.gz OMPRTBKOHQZAJY-QGZVFWFLSA-N 1 0 316.449 2.185 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185478431 402354885 /nfs/dbraw/zinc/35/48/85/402354885.db2.gz ROEZEVNWZPZOQL-OAHLLOKOSA-N 1 0 319.449 2.327 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cn1c(C)nc2ccccc21 ZINC000176975131 402355935 /nfs/dbraw/zinc/35/59/35/402355935.db2.gz ICDGWXOCLLAEGL-OAHLLOKOSA-N 1 0 314.433 2.287 10 0 DEAERO CCc1noc2ncc(C(=O)N(C)C[C@H]3CCC[N@H+]3CC)cc12 ZINC000176990956 402357610 /nfs/dbraw/zinc/35/76/10/402357610.db2.gz MMOFZMIWCHMZLA-CYBMUJFWSA-N 1 0 316.405 2.342 10 0 DEAERO CCc1noc2ncc(C(=O)N(C)C[C@@H]3CCC[N@H+]3CC)cc12 ZINC000176990943 402357692 /nfs/dbraw/zinc/35/76/92/402357692.db2.gz MMOFZMIWCHMZLA-ZDUSSCGKSA-N 1 0 316.405 2.342 10 0 DEAERO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000177084586 402368211 /nfs/dbraw/zinc/36/82/11/402368211.db2.gz BGTROBWYUMKQDC-LBPRGKRZSA-N 1 0 323.462 2.274 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000177101075 402369761 /nfs/dbraw/zinc/36/97/61/402369761.db2.gz OMAWHULURBUJBW-KRWDZBQOSA-N 1 0 317.433 2.096 10 0 DEAERO COc1cc(C[NH2+]C(C)(C)[C@H](C)O)cc(Br)c1O ZINC000161134528 402374672 /nfs/dbraw/zinc/37/46/72/402374672.db2.gz CXTXWBYPERGIOX-QMMMGPOBSA-N 1 0 318.211 2.412 10 0 DEAERO C[C@H]1C[N@H+](CCOc2ccccc2Cl)C[C@@H]1N1CCOCC1 ZINC000177221542 402383040 /nfs/dbraw/zinc/38/30/40/402383040.db2.gz JSSNYZPTBKKBDB-HOCLYGCPSA-N 1 0 324.852 2.371 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)C1 ZINC000177306152 402389058 /nfs/dbraw/zinc/38/90/58/402389058.db2.gz KCBBACFVPDVZTK-AWEZNQCLSA-N 1 0 301.390 2.373 10 0 DEAERO Cc1ccc(C)c(OCC[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177248289 402384905 /nfs/dbraw/zinc/38/49/05/402384905.db2.gz LCYRHPFHUYGMFI-ZWKOTPCHSA-N 1 0 318.461 2.335 10 0 DEAERO COCc1ccc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000176693970 402328985 /nfs/dbraw/zinc/32/89/85/402328985.db2.gz WBAXVYTYXVUBCI-OKILXGFUSA-N 1 0 324.421 2.045 10 0 DEAERO COc1cc(Br)ccc1C[NH2+][C@@H](C)CN(C)C ZINC000228129563 402336167 /nfs/dbraw/zinc/33/61/67/402336167.db2.gz PUFZSUMEXKJSGW-JTQLQIEISA-N 1 0 301.228 2.497 10 0 DEAERO COCCC[N@H+](C)CCNc1ncnc2cc(F)c(OC)cc21 ZINC000186077197 402399164 /nfs/dbraw/zinc/39/91/64/402399164.db2.gz UPBFHYNTVDXIEN-UHFFFAOYSA-N 1 0 322.384 2.158 10 0 DEAERO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000237327948 402404527 /nfs/dbraw/zinc/40/45/27/402404527.db2.gz IAYQATGLJLFUJW-DOMZBBRYSA-N 1 0 312.369 2.163 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000161982879 402405744 /nfs/dbraw/zinc/40/57/44/402405744.db2.gz CGWNFYDWKHIWQO-INIZCTEOSA-N 1 0 323.412 2.331 10 0 DEAERO COc1ccccc1C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000186194723 402409687 /nfs/dbraw/zinc/40/96/87/402409687.db2.gz SWRYKHOVXXXGEA-CQSZACIVSA-N 1 0 318.417 2.115 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000177503318 402410164 /nfs/dbraw/zinc/41/01/64/402410164.db2.gz ZWUYEUPIDLWCIR-HUUCEWRRSA-N 1 0 314.389 2.339 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CCCn2nc(C)cc2C)C12CCOCC2 ZINC000186208396 402410925 /nfs/dbraw/zinc/41/09/25/402410925.db2.gz RRMQRMBXKMAEKM-IAGOWNOFSA-N 1 0 321.465 2.454 10 0 DEAERO C[C@@]1(C(=O)NCc2cnn(Cc3ccccc3)c2)CCCC[NH2+]1 ZINC000237600756 402414835 /nfs/dbraw/zinc/41/48/35/402414835.db2.gz DFECYZJTYUIUCG-SFHVURJKSA-N 1 0 312.417 2.080 10 0 DEAERO COCCC1(CNC(=O)N2CC[C@H]([NH+](C)C)C2)CCCCC1 ZINC000186291220 402418417 /nfs/dbraw/zinc/41/84/17/402418417.db2.gz DKUXSJRDVFYRPL-HNNXBMFYSA-N 1 0 311.470 2.319 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(O)c(OC)c2)C12CCOCC2 ZINC000186290376 402418517 /nfs/dbraw/zinc/41/85/17/402418517.db2.gz PMYIHAVODXCTOR-SJORKVTESA-N 1 0 321.417 2.465 10 0 DEAERO Cn1c(Cl)c(Cl)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237864476 402423758 /nfs/dbraw/zinc/42/37/58/402423758.db2.gz BBEPRUYNRLSNGJ-JVHMLUBASA-N 1 0 302.205 2.345 10 0 DEAERO O=C(Nc1ccc2ccccc2c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177694202 402427120 /nfs/dbraw/zinc/42/71/20/402427120.db2.gz JZZGZQGHWZKNLO-QGZVFWFLSA-N 1 0 323.396 2.085 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000177699906 402427873 /nfs/dbraw/zinc/42/78/73/402427873.db2.gz OHQPLKLBYJKAJA-KRWDZBQOSA-N 1 0 317.433 2.244 10 0 DEAERO C[C@H]1Cc2ccccc2N1C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177760722 402433684 /nfs/dbraw/zinc/43/36/84/402433684.db2.gz CBEGQCYHALMURA-DOTOQJQBSA-N 1 0 313.445 2.134 10 0 DEAERO C[C@H](C(=O)N(C)Cc1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177774631 402434396 /nfs/dbraw/zinc/43/43/96/402434396.db2.gz YWGIWRCCNHADIG-SJLPKXTDSA-N 1 0 315.461 2.204 10 0 DEAERO OC1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCOCC1 ZINC000238135007 402439263 /nfs/dbraw/zinc/43/92/63/402439263.db2.gz MCECNSORMUTDND-UHFFFAOYSA-N 1 0 319.323 2.259 10 0 DEAERO CC[N@H+](CCNC(=O)NCc1cc(F)ccc1OC)C1CC1 ZINC000186569777 402442564 /nfs/dbraw/zinc/44/25/64/402442564.db2.gz NWDVTNQKLFAGDN-UHFFFAOYSA-N 1 0 309.385 2.118 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C(C)(C)O ZINC000186577145 402443561 /nfs/dbraw/zinc/44/35/61/402443561.db2.gz FLEIBCUJDIBUAH-CABCVRRESA-N 1 0 311.470 2.052 10 0 DEAERO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCOC2)cc1 ZINC000177931555 402444914 /nfs/dbraw/zinc/44/49/14/402444914.db2.gz UQTHKLANZVOLIR-SWLSCSKDSA-N 1 0 312.435 2.278 10 0 DEAERO [NH3+][C@H](CC(=O)N1CCn2c3ccccc3nc21)c1ccccc1 ZINC000163289829 402446454 /nfs/dbraw/zinc/44/64/54/402446454.db2.gz ZFDGSTBRZNUVCP-CQSZACIVSA-N 1 0 306.369 2.473 10 0 DEAERO CC(C)[C@H]1C[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000185923430 402389534 /nfs/dbraw/zinc/38/95/34/402389534.db2.gz IOEKSVNZGRQSEB-CVEARBPZSA-N 1 0 308.466 2.430 10 0 DEAERO CCC[C@@H](C(=O)NCc1cnn(Cc2ccccc2)c1)[NH+](C)C ZINC000161596999 402392700 /nfs/dbraw/zinc/39/27/00/402392700.db2.gz NTPRKLCOEZHNNM-KRWDZBQOSA-N 1 0 314.433 2.278 10 0 DEAERO C[C@@H]1CN(Cc2csc(-c3cccs3)n2)CC[N@@H+]1CCO ZINC000187725429 402509921 /nfs/dbraw/zinc/50/99/21/402509921.db2.gz SDVIDIPWGHIKEM-GFCCVEGCSA-N 1 0 323.487 2.370 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c(F)c1 ZINC000246123744 402511794 /nfs/dbraw/zinc/51/17/94/402511794.db2.gz JDNSYWXSAOGQGM-OCCSQVGLSA-N 1 0 314.426 2.141 10 0 DEAERO CC(C)[C@](C)(O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000186686836 402455331 /nfs/dbraw/zinc/45/53/31/402455331.db2.gz ICQZPKKYKLOZFM-GOSISDBHSA-N 1 0 310.482 2.364 10 0 DEAERO O=C(c1c[nH]nc1-c1ccsc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000186683060 402455387 /nfs/dbraw/zinc/45/53/87/402455387.db2.gz ITAQSYWQJVWAHD-LBPRGKRZSA-N 1 0 302.403 2.058 10 0 DEAERO COc1cccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1OC ZINC000246118815 402511824 /nfs/dbraw/zinc/51/18/24/402511824.db2.gz KFEAEAXOWDKWHY-HIFRSBDPSA-N 1 0 309.431 2.410 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccccc1C ZINC000245419025 402458643 /nfs/dbraw/zinc/45/86/43/402458643.db2.gz GSJTVAKJKQDYIH-CVEARBPZSA-N 1 0 301.434 2.492 10 0 DEAERO CCO[C@H](C)c1noc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)n1 ZINC000245417097 402458711 /nfs/dbraw/zinc/45/87/11/402458711.db2.gz FUDABGNNGRRFKY-MCIONIFRSA-N 1 0 308.426 2.226 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(C[S@@](C)=O)c1 ZINC000245426271 402459396 /nfs/dbraw/zinc/45/93/96/402459396.db2.gz FVQAANUDBFQCQY-KSFYIVLOSA-N 1 0 322.474 2.121 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCCN1c1nccs1 ZINC000245435410 402460707 /nfs/dbraw/zinc/46/07/07/402460707.db2.gz STAWWXHTBBOPBP-UONOGXRCSA-N 1 0 322.478 2.055 10 0 DEAERO O=C(COc1ccc2c(c1)CCCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178113501 402461633 /nfs/dbraw/zinc/46/16/33/402461633.db2.gz WMOZBEBTCAZEMO-QGZVFWFLSA-N 1 0 314.429 2.251 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000245465955 402463258 /nfs/dbraw/zinc/46/32/58/402463258.db2.gz IZKXGJIXFOCQEA-PBHICJAKSA-N 1 0 321.440 2.247 10 0 DEAERO CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000245468442 402464086 /nfs/dbraw/zinc/46/40/86/402464086.db2.gz ZZBRNZAAAXWWNG-GJZGRUSLSA-N 1 0 304.438 2.346 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186802483 402464871 /nfs/dbraw/zinc/46/48/71/402464871.db2.gz FQSCDJKDMKASSO-CXAGYDPISA-N 1 0 320.481 2.203 10 0 DEAERO CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)CC1(CO)CC1 ZINC000186818803 402466184 /nfs/dbraw/zinc/46/61/84/402466184.db2.gz FYSTTZHGWGJFIM-MRXNPFEDSA-N 1 0 304.434 2.300 10 0 DEAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(-n2cccn2)cc1 ZINC000178180154 402468649 /nfs/dbraw/zinc/46/86/49/402468649.db2.gz RQXOPYFBAVIJGR-CYBMUJFWSA-N 1 0 313.405 2.066 10 0 DEAERO CCc1ccc([C@H](C)[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)o1 ZINC000165007941 402472116 /nfs/dbraw/zinc/47/21/16/402472116.db2.gz FIFLPXNNJATQNO-BBRMVZONSA-N 1 0 308.422 2.376 10 0 DEAERO COc1cc(OC)cc([C@@H]2CC[N@@H+]([C@H]3CCCCNC3=O)C2)c1 ZINC000245608999 402473556 /nfs/dbraw/zinc/47/35/56/402473556.db2.gz KVCNQYKWADZXCY-DYVFJYSZSA-N 1 0 318.417 2.162 10 0 DEAERO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000245613052 402474612 /nfs/dbraw/zinc/47/46/12/402474612.db2.gz OOOUIXSDKWWHNE-BRWVUGGUSA-N 1 0 308.466 2.384 10 0 DEAERO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CCCN1c1nccs1 ZINC000187010173 402477543 /nfs/dbraw/zinc/47/75/43/402477543.db2.gz LLRAJFQOGLHPDE-CYBMUJFWSA-N 1 0 322.478 2.055 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)NCc2nccs2)[C@H]1c1ccccc1 ZINC000245678332 402478502 /nfs/dbraw/zinc/47/85/02/402478502.db2.gz UQHKUCRQWVHTPA-UKRRQHHQSA-N 1 0 316.430 2.388 10 0 DEAERO CCCOCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245684281 402479340 /nfs/dbraw/zinc/47/93/40/402479340.db2.gz NGMWSGGSSHANLU-HOCLYGCPSA-N 1 0 312.360 2.253 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)C1 ZINC000246153839 402513090 /nfs/dbraw/zinc/51/30/90/402513090.db2.gz TVXANLIUNJKRRC-GJZGRUSLSA-N 1 0 319.453 2.357 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178304912 402482257 /nfs/dbraw/zinc/48/22/57/402482257.db2.gz YTUHVZFATBMZEQ-OFQRWUPVSA-N 1 0 306.454 2.349 10 0 DEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NCCC(C)C ZINC000178304833 402482309 /nfs/dbraw/zinc/48/23/09/402482309.db2.gz HTBYNHCDOQGFCI-HOCLYGCPSA-N 1 0 306.454 2.207 10 0 DEAERO COc1ccc(O)cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000187108973 402483440 /nfs/dbraw/zinc/48/34/40/402483440.db2.gz OVTFBJHIKPPBSC-INIZCTEOSA-N 1 0 314.385 2.434 10 0 DEAERO CCCc1cc(=O)n2nc(NC[C@@H](C)[NH+](CC)CC)sc2n1 ZINC000178338928 402486405 /nfs/dbraw/zinc/48/64/05/402486405.db2.gz WPTSKJHKVTZSEQ-LLVKDONJSA-N 1 0 323.466 2.246 10 0 DEAERO Cc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)ccc1-n1cncn1 ZINC000245791731 402488524 /nfs/dbraw/zinc/48/85/24/402488524.db2.gz WIPCLKWERIDCQP-RDJZCZTQSA-N 1 0 313.449 2.490 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Cl)ccc2F)C[C@H]1C ZINC000245797972 402489062 /nfs/dbraw/zinc/48/90/62/402489062.db2.gz XHPNAEXFEMLAPV-NEPJUHHUSA-N 1 0 300.805 2.366 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)C1(C)C ZINC000245877078 402493948 /nfs/dbraw/zinc/49/39/48/402493948.db2.gz KGQIVZPRWKCPIR-IXDOHACOSA-N 1 0 318.461 2.479 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000245912337 402496738 /nfs/dbraw/zinc/49/67/38/402496738.db2.gz PLARXMAUTUFGQU-LSDHHAIUSA-N 1 0 320.437 2.034 10 0 DEAERO C[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C[C@@H]1CCCOC1 ZINC000245929532 402498171 /nfs/dbraw/zinc/49/81/71/402498171.db2.gz PKXJRRNRKLQVBU-QWHCGFSZSA-N 1 0 322.371 2.146 10 0 DEAERO COC[C@H](C)C[NH+]1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000187425043 402500119 /nfs/dbraw/zinc/50/01/19/402500119.db2.gz IIFMDWDRGIFBLQ-OAHLLOKOSA-N 1 0 322.449 2.104 10 0 DEAERO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccncc1 ZINC000245976104 402501522 /nfs/dbraw/zinc/50/15/22/402501522.db2.gz OSAIGCCNNHFGTQ-CWRNSKLLSA-N 1 0 302.422 2.268 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000187496994 402502833 /nfs/dbraw/zinc/50/28/33/402502833.db2.gz KIGADAVFRJYVBS-CQSZACIVSA-N 1 0 322.453 2.380 10 0 DEAERO CCc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)n(C)n1 ZINC000246021066 402504479 /nfs/dbraw/zinc/50/44/79/402504479.db2.gz MKMORKPGABXOPJ-TZMCWYRMSA-N 1 0 307.442 2.177 10 0 DEAERO CC(C)CN(C(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1)C1CC1 ZINC000178509905 402505205 /nfs/dbraw/zinc/50/52/05/402505205.db2.gz KCLYELKJGKINAU-AWEZNQCLSA-N 1 0 324.465 2.297 10 0 DEAERO CCC[C@H](C)CS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246051383 402505940 /nfs/dbraw/zinc/50/59/40/402505940.db2.gz CIJCTMGIJARYBS-RRFJBIMHSA-N 1 0 302.484 2.311 10 0 DEAERO CCCc1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)n(C)n1 ZINC000246096883 402508996 /nfs/dbraw/zinc/50/89/96/402508996.db2.gz XJARJIRRJARHIW-CABCVRRESA-N 1 0 319.453 2.463 10 0 DEAERO C[NH+](C)C[C@H]1CN(CCCCCOc2ccccc2)CCO1 ZINC000189510444 402542201 /nfs/dbraw/zinc/54/22/01/402542201.db2.gz QCOAZPGMGAWZHN-SFHVURJKSA-N 1 0 306.450 2.498 10 0 DEAERO O=C(N[C@@H]1CCCOC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000170934242 402543125 /nfs/dbraw/zinc/54/31/25/402543125.db2.gz UBFVVLWCFGPREC-DOTOQJQBSA-N 1 0 320.408 2.333 10 0 DEAERO Cc1cccc(C2([NH2+]C[C@H](O)CN3CCOCC3)CCCC2)c1 ZINC000178831434 402544354 /nfs/dbraw/zinc/54/43/54/402544354.db2.gz VCMIWNKMFASJTH-SFHVURJKSA-N 1 0 318.461 2.047 10 0 DEAERO CCC(CC)c1cc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)on1 ZINC000246828895 402546899 /nfs/dbraw/zinc/54/68/99/402546899.db2.gz SZEIDWKWWFDAED-STQMWFEESA-N 1 0 323.437 2.105 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189591323 402546977 /nfs/dbraw/zinc/54/69/77/402546977.db2.gz ZUZCVWBXQREGAC-HOTGVXAUSA-N 1 0 304.434 2.233 10 0 DEAERO CCc1c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)[nH]c(C)c1C(C)=O ZINC000246970217 402551395 /nfs/dbraw/zinc/55/13/95/402551395.db2.gz DPNHGGZOCQYVKG-BXUZGUMPSA-N 1 0 317.433 2.397 10 0 DEAERO CC(C)[C@H](O)CC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000178901026 402552466 /nfs/dbraw/zinc/55/24/66/402552466.db2.gz ISTXBWJQKSKPGP-QGZVFWFLSA-N 1 0 319.449 2.174 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)COc1ccc(Cl)cc1 ZINC000247096438 402556954 /nfs/dbraw/zinc/55/69/54/402556954.db2.gz IGMQDCQGFUVVCK-KBMXLJTQSA-N 1 0 324.852 2.248 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000247096427 402557128 /nfs/dbraw/zinc/55/71/28/402557128.db2.gz IGMQDCQGFUVVCK-FVQBIDKESA-N 1 0 324.852 2.248 10 0 DEAERO Cc1ccc([C@H](CNC(=O)Nc2nncs2)[NH+]2CCCC2)o1 ZINC000171170391 402563107 /nfs/dbraw/zinc/56/31/07/402563107.db2.gz CERDSFQHIMTHEV-NSHDSACASA-N 1 0 321.406 2.398 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@H]2CCCC2(C)C)CC[N@@H+]1CCOC ZINC000247326661 402564090 /nfs/dbraw/zinc/56/40/90/402564090.db2.gz YCOUIABGNBFIEF-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO CC(C)COC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccco1 ZINC000171191641 402565027 /nfs/dbraw/zinc/56/50/27/402565027.db2.gz KMIHLOYVARHBTD-GJZGRUSLSA-N 1 0 323.437 2.387 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Br)cn1 ZINC000247494851 402569572 /nfs/dbraw/zinc/56/95/72/402569572.db2.gz UORFEHKHFAXYTN-PWSUYJOCSA-N 1 0 324.222 2.153 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1COc2ccccc21 ZINC000247508422 402570309 /nfs/dbraw/zinc/57/03/09/402570309.db2.gz OYYHUGHORQMIBO-ZFWWWQNUSA-N 1 0 303.406 2.294 10 0 DEAERO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000188059375 402515084 /nfs/dbraw/zinc/51/50/84/402515084.db2.gz GKNAYFWTMGSYRO-RDJZCZTQSA-N 1 0 303.450 2.044 10 0 DEAERO CSC[C@@H](O)C[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000188114334 402515512 /nfs/dbraw/zinc/51/55/12/402515512.db2.gz HFWPEDJHHCZQSN-CJNGLKHVSA-N 1 0 312.454 2.228 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C(=O)OC)cc1 ZINC000170718553 402516607 /nfs/dbraw/zinc/51/66/07/402516607.db2.gz FBGXXTUYBULCAV-ZDUSSCGKSA-N 1 0 321.421 2.003 10 0 DEAERO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246203363 402518606 /nfs/dbraw/zinc/51/86/06/402518606.db2.gz NZGWAHKNHBIIFB-NCOADZHNSA-N 1 0 307.482 2.240 10 0 DEAERO C[C@@H]([NH3+])CCNC(=O)COc1ccc(Cl)c2cccnc12 ZINC000178627100 402519067 /nfs/dbraw/zinc/51/90/67/402519067.db2.gz GQBKWDAEDHVSLM-SNVBAGLBSA-N 1 0 307.781 2.121 10 0 DEAERO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)N1CCCc2ccccc21 ZINC000246248033 402520310 /nfs/dbraw/zinc/52/03/10/402520310.db2.gz VXYKACXLYIETBJ-KRWDZBQOSA-N 1 0 313.445 2.136 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(OC)c(NC(C)=O)c1)[NH+](C)C ZINC000178644626 402521201 /nfs/dbraw/zinc/52/12/01/402521201.db2.gz OVANTMWGPCOQOO-CQSZACIVSA-N 1 0 307.394 2.322 10 0 DEAERO Cc1c(C(=O)NCC[C@H](C)[NH3+])cnn1-c1ccccc1Cl ZINC000178644839 402521259 /nfs/dbraw/zinc/52/12/59/402521259.db2.gz MCMNPQVQJSCMQO-JTQLQIEISA-N 1 0 306.797 2.301 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ncccc2C)[C@@H](C)C1 ZINC000246319008 402524844 /nfs/dbraw/zinc/52/48/44/402524844.db2.gz CBFVXUMIJPCYOO-HOCLYGCPSA-N 1 0 304.438 2.262 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2cnn(C)c2C)[C@H](C)C1 ZINC000178696113 402527544 /nfs/dbraw/zinc/52/75/44/402527544.db2.gz FXGNWHAHWZOSRX-WWGRRREGSA-N 1 0 321.469 2.161 10 0 DEAERO CCN(CCNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1C ZINC000170830186 402530345 /nfs/dbraw/zinc/53/03/45/402530345.db2.gz ZZVOAXFKNJWNOL-INIZCTEOSA-N 1 0 318.465 2.167 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000189199250 402531746 /nfs/dbraw/zinc/53/17/46/402531746.db2.gz MGMILVLHUNVZAY-QWHCGFSZSA-N 1 0 318.373 2.044 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)C1 ZINC000170856253 402532938 /nfs/dbraw/zinc/53/29/38/402532938.db2.gz VFQJGQYLPHSPJA-WBVHZDCISA-N 1 0 318.417 2.021 10 0 DEAERO COCC[N@@H+]1CCN(c2ncnc3c(C)cccc32)C[C@@H]1C ZINC000246488072 402533018 /nfs/dbraw/zinc/53/30/18/402533018.db2.gz DNOUDSQFNCYEPK-AWEZNQCLSA-N 1 0 300.406 2.095 10 0 DEAERO COC(=O)CC1(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC000189322090 402534034 /nfs/dbraw/zinc/53/40/34/402534034.db2.gz JZIGBIXYTMIYRR-GJZGRUSLSA-N 1 0 324.465 2.441 10 0 DEAERO C[N@H+](CCn1cnn(C(C)(C)C)c1=O)Cc1ccc(F)cc1 ZINC000189343698 402534649 /nfs/dbraw/zinc/53/46/49/402534649.db2.gz YMKMGBMRBXKDDS-UHFFFAOYSA-N 1 0 306.385 2.071 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170866543 402535010 /nfs/dbraw/zinc/53/50/10/402535010.db2.gz LMZDJDKLISRMSK-UHOFOFEASA-N 1 0 315.417 2.057 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170873703 402536361 /nfs/dbraw/zinc/53/63/61/402536361.db2.gz BOBFKHFLWIKGRB-HNNXBMFYSA-N 1 0 310.463 2.210 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246640081 402539340 /nfs/dbraw/zinc/53/93/40/402539340.db2.gz YKAYREXSUGIHKC-UUAJXVIYSA-N 1 0 321.465 2.212 10 0 DEAERO Cc1cnn(CC[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000180801109 402626544 /nfs/dbraw/zinc/62/65/44/402626544.db2.gz SCNBKYOVLUUTFY-CABCVRRESA-N 1 0 322.453 2.475 10 0 DEAERO COc1ccc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190162664 402580041 /nfs/dbraw/zinc/58/00/41/402580041.db2.gz WIVLADYBTLBLGR-HUUCEWRRSA-N 1 0 303.362 2.349 10 0 DEAERO CC(C)C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179464039 402590668 /nfs/dbraw/zinc/59/06/68/402590668.db2.gz WJNBCAVPDYVXES-IXDOHACOSA-N 1 0 319.449 2.138 10 0 DEAERO Cc1cc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1F ZINC000171520442 402591059 /nfs/dbraw/zinc/59/10/59/402591059.db2.gz WTIONAHAFHJWGU-CQSZACIVSA-N 1 0 309.385 2.102 10 0 DEAERO C[NH+]1CCC(CNC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000171582917 402597196 /nfs/dbraw/zinc/59/71/96/402597196.db2.gz XSYQHCQRGLNUHV-HNNXBMFYSA-N 1 0 303.406 2.151 10 0 DEAERO Cc1cc2c(cc1C)[C@H](C(=O)N1C[C@@H]3CCC[N@H+]3C[C@H]1C)CO2 ZINC000248584755 402597519 /nfs/dbraw/zinc/59/75/19/402597519.db2.gz VCUYQHFILUWAAI-HLLBOEOZSA-N 1 0 314.429 2.475 10 0 DEAERO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000190397564 402598130 /nfs/dbraw/zinc/59/81/30/402598130.db2.gz PUIOZEMZSVMXOV-CJNGLKHVSA-N 1 0 304.434 2.453 10 0 DEAERO CCCC[C@H](CCC)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248601775 402598267 /nfs/dbraw/zinc/59/82/67/402598267.db2.gz JEZQPBCNYXNDTG-PMPSAXMXSA-N 1 0 313.486 2.442 10 0 DEAERO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1cnn(C)c1 ZINC000179744371 402599528 /nfs/dbraw/zinc/59/95/28/402599528.db2.gz QUTIVCIMXXJAMH-CYBMUJFWSA-N 1 0 315.421 2.461 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2nccn2C)C12CCOCC2 ZINC000248644354 402601208 /nfs/dbraw/zinc/60/12/08/402601208.db2.gz PTQSWXLIUHLESN-QLFBSQMISA-N 1 0 307.438 2.435 10 0 DEAERO O=C(c1cc(C2CC2)n[nH]1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171625619 402602584 /nfs/dbraw/zinc/60/25/84/402602584.db2.gz UUWPZWDMTDOKAH-AWEZNQCLSA-N 1 0 302.422 2.378 10 0 DEAERO Cc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000171639470 402604643 /nfs/dbraw/zinc/60/46/43/402604643.db2.gz XEMWYTRKEYBVTM-HZPDHXFCSA-N 1 0 301.434 2.410 10 0 DEAERO Cc1cccc(C)c1NC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171639075 402604690 /nfs/dbraw/zinc/60/46/90/402604690.db2.gz AHRDPCPOTLJSRJ-HZPDHXFCSA-N 1 0 301.434 2.410 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000248739778 402606372 /nfs/dbraw/zinc/60/63/72/402606372.db2.gz LUXZKEUTCNPARE-OIISXLGYSA-N 1 0 302.418 2.192 10 0 DEAERO Cc1nn(C)c(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180095155 402607014 /nfs/dbraw/zinc/60/70/14/402607014.db2.gz ABHXNJXCWBQQNV-NVXWUHKLSA-N 1 0 312.417 2.212 10 0 DEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccccc2F)CC1 ZINC000171843618 402628081 /nfs/dbraw/zinc/62/80/81/402628081.db2.gz UKEJVOJJXKIWIG-ZDUSSCGKSA-N 1 0 323.412 2.382 10 0 DEAERO O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171744911 402617359 /nfs/dbraw/zinc/61/73/59/402617359.db2.gz NMHZQBXHURNWSS-HZSPNIEDSA-N 1 0 306.356 2.375 10 0 DEAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000249066713 402619566 /nfs/dbraw/zinc/61/95/66/402619566.db2.gz QJWIGPLBNUGTGG-GNXNZQSNSA-N 1 0 321.808 2.082 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H](C)CC2)C[C@H]1C ZINC000249078268 402619656 /nfs/dbraw/zinc/61/96/56/402619656.db2.gz LBQVMIYWNHANOE-LVQVYYBASA-N 1 0 311.470 2.052 10 0 DEAERO COCc1cc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)ccc1OC ZINC000180599839 402621345 /nfs/dbraw/zinc/62/13/45/402621345.db2.gz FBAIULXCXUBTDO-SWLSCSKDSA-N 1 0 316.405 2.099 10 0 DEAERO COCc1cc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)ccc1OC ZINC000180599875 402621515 /nfs/dbraw/zinc/62/15/15/402621515.db2.gz FBAIULXCXUBTDO-WFASDCNBSA-N 1 0 316.405 2.099 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C)c2)[C@@H](C)C1 ZINC000249142704 402621796 /nfs/dbraw/zinc/62/17/96/402621796.db2.gz FTWVKRDWCYLNQC-HOCLYGCPSA-N 1 0 317.433 2.122 10 0 DEAERO Cc1nnnn1-c1cccc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000249306545 402625875 /nfs/dbraw/zinc/62/58/75/402625875.db2.gz JLAAZDIHAMOMHT-BFQNTYOBSA-N 1 0 300.410 2.111 10 0 DEAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc4c[nH]nc4c3)[C@@H]2C1 ZINC000180813056 402626305 /nfs/dbraw/zinc/62/63/05/402626305.db2.gz YYFIBKIEYVVQPR-DJIMGWMZSA-N 1 0 301.390 2.331 10 0 DEAERO CCc1ccccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249468388 402630341 /nfs/dbraw/zinc/63/03/41/402630341.db2.gz QZFFAVQIGPMKQS-DZGCQCFKSA-N 1 0 310.463 2.352 10 0 DEAERO C[C@]1(C(=O)NCCCc2nc3ccccc3[nH]2)CCCC[NH2+]1 ZINC000180981786 402631461 /nfs/dbraw/zinc/63/14/61/402631461.db2.gz FMVJSWYUHXZXLR-QGZVFWFLSA-N 1 0 300.406 2.144 10 0 DEAERO O=C(NCCCOc1ccc(F)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905306 402632533 /nfs/dbraw/zinc/63/25/33/402632533.db2.gz GOMMMKFIVBYFLQ-OAHLLOKOSA-N 1 0 321.396 2.084 10 0 DEAERO CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249584980 402635565 /nfs/dbraw/zinc/63/55/65/402635565.db2.gz SPISXSSHFAIFGR-QEJZJMRPSA-N 1 0 310.463 2.061 10 0 DEAERO OC[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1c1ccsc1 ZINC000249592059 402635913 /nfs/dbraw/zinc/63/59/13/402635913.db2.gz VSUAXNGGWAMXDK-KSZLIROESA-N 1 0 317.454 2.359 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC1CCCCC1 ZINC000171908337 402633148 /nfs/dbraw/zinc/63/31/48/402633148.db2.gz DKTVTWMBWFTRFY-MRXNPFEDSA-N 1 0 311.470 2.319 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cccc(C)c1F ZINC000181213909 402637862 /nfs/dbraw/zinc/63/78/62/402637862.db2.gz OADBBIGDRHKJIG-LBPRGKRZSA-N 1 0 302.415 2.143 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc(C)c1F ZINC000181213926 402638062 /nfs/dbraw/zinc/63/80/62/402638062.db2.gz OADBBIGDRHKJIG-GFCCVEGCSA-N 1 0 302.415 2.143 10 0 DEAERO COC(=O)c1oc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1C ZINC000172057004 402638409 /nfs/dbraw/zinc/63/84/09/402638409.db2.gz WZOARPPFFFGCJD-LBPRGKRZSA-N 1 0 303.362 2.098 10 0 DEAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCC(=O)NC1CCCC1 ZINC000249772178 402641094 /nfs/dbraw/zinc/64/10/94/402641094.db2.gz TXEFUCWUQRGZCC-BMFZPTHFSA-N 1 0 322.449 2.241 10 0 DEAERO CC[NH+](CC)CCN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000181335711 402642331 /nfs/dbraw/zinc/64/23/31/402642331.db2.gz CEDLHIVJMYZIFS-UHFFFAOYSA-N 1 0 321.440 2.315 10 0 DEAERO CCCN(CC)c1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000250074610 402644282 /nfs/dbraw/zinc/64/42/82/402644282.db2.gz OKEMQTHPDLKRLT-HIFRSBDPSA-N 1 0 304.438 2.046 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000250121087 402644861 /nfs/dbraw/zinc/64/48/61/402644861.db2.gz VIOOSOMFVJUQMQ-BHTHQVBYSA-N 1 0 315.417 2.009 10 0 DEAERO CC(C)[C@H](CNC(=O)N[C@@H](C)C1CCCC1)[NH+]1CCN(C)CC1 ZINC000172221593 402645727 /nfs/dbraw/zinc/64/57/27/402645727.db2.gz VGOYJMNWPPWQBR-RDJZCZTQSA-N 1 0 324.513 2.136 10 0 DEAERO CCc1ccc(CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000172472628 402657939 /nfs/dbraw/zinc/65/79/39/402657939.db2.gz UQNHDGAKKYLYEW-KRWDZBQOSA-N 1 0 301.434 2.281 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000191299419 402659107 /nfs/dbraw/zinc/65/91/07/402659107.db2.gz CMBXUMWIVSOPDH-RCBQFDQVSA-N 1 0 308.397 2.360 10 0 DEAERO CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347895 402651430 /nfs/dbraw/zinc/65/14/30/402651430.db2.gz ZBQDDMMCSBMMRK-HOTGVXAUSA-N 1 0 307.482 2.336 10 0 DEAERO C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347238 402651785 /nfs/dbraw/zinc/65/17/85/402651785.db2.gz BQGMRIRICQTZGQ-GFCCVEGCSA-N 1 0 322.840 2.232 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)C12CCC2 ZINC000181814935 402657810 /nfs/dbraw/zinc/65/78/10/402657810.db2.gz HVOANNNDUKXKHB-DJIMGWMZSA-N 1 0 318.465 2.326 10 0 DEAERO Clc1ccccc1OCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173945272 402721147 /nfs/dbraw/zinc/72/11/47/402721147.db2.gz CCARIJUNAJSWFU-AWEZNQCLSA-N 1 0 310.825 2.125 10 0 DEAERO c1coc(-c2nc(CN3CC[C@@H](N4CCOCC4)C3)cs2)c1 ZINC000173951202 402721173 /nfs/dbraw/zinc/72/11/73/402721173.db2.gz FXCLLAWQPCFTQB-CQSZACIVSA-N 1 0 319.430 2.310 10 0 DEAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000182745451 402713302 /nfs/dbraw/zinc/71/33/02/402713302.db2.gz OKJIMKRQQZYDPO-KYJSFNMBSA-N 1 0 302.418 2.025 10 0 DEAERO Cc1cc(N2CC[C@H]([N@@H+]3CCC4(C3)CCCCC4)C2=O)n(C)n1 ZINC000173803603 402713440 /nfs/dbraw/zinc/71/34/40/402713440.db2.gz FWABWQKZPPDVAM-HNNXBMFYSA-N 1 0 316.449 2.490 10 0 DEAERO COC(C)(C)C[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000173817295 402714061 /nfs/dbraw/zinc/71/40/61/402714061.db2.gz JQFLSULQJASKPS-GDBMZVCRSA-N 1 0 306.450 2.479 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3nc(COC)nc32)C1(C)C ZINC000181903227 402660647 /nfs/dbraw/zinc/66/06/47/402660647.db2.gz VZYGMDKYTGTPDH-FRRDWIJNSA-N 1 0 308.426 2.053 10 0 DEAERO O=C(NCCC[NH+]1CCCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000172525250 402660724 /nfs/dbraw/zinc/66/07/24/402660724.db2.gz IRBZBXNLZZWMAT-UHFFFAOYSA-N 1 0 319.453 2.175 10 0 DEAERO C[C@@H]1CN(C2CC[NH+](CCC(=O)c3ccccc3)CC2)CCO1 ZINC000182073108 402666104 /nfs/dbraw/zinc/66/61/04/402666104.db2.gz FLYXBBVIHWOLRS-MRXNPFEDSA-N 1 0 316.445 2.445 10 0 DEAERO O=C(NC1CC1)[C@H](c1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172800431 402676094 /nfs/dbraw/zinc/67/60/94/402676094.db2.gz ZWRZWBABIIGNDI-MSOLQXFVSA-N 1 0 313.445 2.176 10 0 DEAERO CCn1nc(C)c(C(=O)N2CCN3CCCC[C@@H]3C2)c1Cl ZINC000172895743 402679293 /nfs/dbraw/zinc/67/92/93/402679293.db2.gz QRMYOHBAELAHQG-GFCCVEGCSA-N 1 0 310.829 2.175 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182344745 402682264 /nfs/dbraw/zinc/68/22/64/402682264.db2.gz RHNKOWRNEBYAIW-LLVKDONJSA-N 1 0 320.359 2.296 10 0 DEAERO C[C@@H](CNC(=O)C/C=C\c1cccc(F)c1)CN1CCOCC1 ZINC000255850098 402696906 /nfs/dbraw/zinc/69/69/06/402696906.db2.gz WOPWDNNOSKEXKA-QTLSWZBMSA-N 1 0 320.408 2.314 10 0 DEAERO C[NH+](C)C1CCN(Cc2nc(CCc3ccccc3)no2)CC1 ZINC000173522724 402701540 /nfs/dbraw/zinc/70/15/40/402701540.db2.gz ANWCVHFOMCALAV-UHFFFAOYSA-N 1 0 314.433 2.381 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000262738138 402730110 /nfs/dbraw/zinc/73/01/10/402730110.db2.gz GYMTXVROVWKNOS-PSOPSSQASA-N 1 0 308.809 2.372 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCOC[C@@H]1C)c1ccco1 ZINC000192456499 402730249 /nfs/dbraw/zinc/73/02/49/402730249.db2.gz VSGGPKLBFJYGLZ-SOUVJXGZSA-N 1 0 308.422 2.451 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(Cl)cc1F ZINC000262787402 402731710 /nfs/dbraw/zinc/73/17/10/402731710.db2.gz QRIYRDBKKLOHQM-CABZTGNLSA-N 1 0 320.817 2.064 10 0 DEAERO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCCO1 ZINC000183125151 402741332 /nfs/dbraw/zinc/74/13/32/402741332.db2.gz WSTRGUIDVPONDK-GWCFXTLKSA-N 1 0 319.373 2.340 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)[C@@H]1CCCO1 ZINC000183138298 402742510 /nfs/dbraw/zinc/74/25/10/402742510.db2.gz RCXUDTLHKWNLCE-KOLCDFICSA-N 1 0 302.827 2.175 10 0 DEAERO C/C(=C/c1nc([C@@H]2C[NH2+]CCN2C)no1)c1cccc(F)c1 ZINC000263238999 402748843 /nfs/dbraw/zinc/74/88/43/402748843.db2.gz OJXWIYLEUFCFIH-MSKHEQNASA-N 1 0 302.353 2.345 10 0 DEAERO CCOCC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000183231647 402749120 /nfs/dbraw/zinc/74/91/20/402749120.db2.gz QKAWQGBNDXLHAZ-FUHWJXTLSA-N 1 0 318.417 2.126 10 0 DEAERO CCCCSCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000174638866 402749598 /nfs/dbraw/zinc/74/95/98/402749598.db2.gz AXYBFZYODHAYRQ-HUUCEWRRSA-N 1 0 316.511 2.213 10 0 DEAERO CCN(CCc1nccs1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192779917 402749870 /nfs/dbraw/zinc/74/98/70/402749870.db2.gz LDGZHYPDZUFCHQ-UHFFFAOYSA-N 1 0 307.463 2.409 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-c3nnc(C)o3)c2)C1 ZINC000174646075 402750162 /nfs/dbraw/zinc/75/01/62/402750162.db2.gz VJXDGIHVSNFVGK-OAHLLOKOSA-N 1 0 314.389 2.259 10 0 DEAERO CC(C)OCc1ccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263256308 402751281 /nfs/dbraw/zinc/75/12/81/402751281.db2.gz QNOOCQOMGSUFRE-OAHLLOKOSA-N 1 0 316.405 2.238 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000263302751 402756401 /nfs/dbraw/zinc/75/64/01/402756401.db2.gz XGUCCMQHXVNWGX-LLVKDONJSA-N 1 0 312.295 2.332 10 0 DEAERO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183348782 402759027 /nfs/dbraw/zinc/75/90/27/402759027.db2.gz MIOUSEQAXQBDJC-YDHLFZDLSA-N 1 0 307.390 2.457 10 0 DEAERO C[C@@H](C[NH2+]Cc1cnc(-c2ccco2)s1)N1CCOCC1 ZINC000192994277 402759568 /nfs/dbraw/zinc/75/95/68/402759568.db2.gz FAVWLKXPMLODBB-LBPRGKRZSA-N 1 0 307.419 2.213 10 0 DEAERO C[C@H]([NH2+]CCO[C@H]1CCCCO1)c1ccc(-n2cncn2)cc1 ZINC000193083828 402764079 /nfs/dbraw/zinc/76/40/79/402764079.db2.gz WWEUASYUGWJOBP-YOEHRIQHSA-N 1 0 316.405 2.461 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1[nH]nc2ccccc21 ZINC000174961713 402766592 /nfs/dbraw/zinc/76/65/92/402766592.db2.gz FMWBOLDBUVBOJY-UONOGXRCSA-N 1 0 312.417 2.191 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1cccc(C)c1 ZINC000174969695 402768240 /nfs/dbraw/zinc/76/82/40/402768240.db2.gz POYNEXGZLYJYMM-HZPDHXFCSA-N 1 0 302.418 2.459 10 0 DEAERO COC(=O)c1coc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000183449989 402768680 /nfs/dbraw/zinc/76/86/80/402768680.db2.gz FZNQTRHVDSHFKI-FRRDWIJNSA-N 1 0 322.405 2.162 10 0 DEAERO CCCCOC[C@H](O)C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000193241410 402768917 /nfs/dbraw/zinc/76/89/17/402768917.db2.gz XBUVLGQNZJJECO-CXAGYDPISA-N 1 0 308.422 2.473 10 0 DEAERO CC(C)N1CCC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1=O ZINC000174986825 402769083 /nfs/dbraw/zinc/76/90/83/402769083.db2.gz KKKIYKKKQKWWTD-JSGCOSHPSA-N 1 0 304.390 2.465 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1noc2ccccc21 ZINC000175042686 402774039 /nfs/dbraw/zinc/77/40/39/402774039.db2.gz PXPORAQCMQUJRM-ZIAGYGMSSA-N 1 0 313.401 2.456 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(C)cc1 ZINC000175044746 402774290 /nfs/dbraw/zinc/77/42/90/402774290.db2.gz BRFUVBQTLQKAKL-DLBZAZTESA-N 1 0 301.434 2.492 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1ccccc1C ZINC000175053251 402774703 /nfs/dbraw/zinc/77/47/03/402774703.db2.gz YHTCLPIPKQZECK-QZTJIDSGSA-N 1 0 315.461 2.170 10 0 DEAERO C[C@H](NC(=O)c1ncccc1O)c1cccc(-n2ccnc2)c1 ZINC000175053695 402774952 /nfs/dbraw/zinc/77/49/52/402774952.db2.gz PLGIWPLKQGSPLN-LBPRGKRZSA-N 1 0 308.341 2.464 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccon1 ZINC000183585962 402779094 /nfs/dbraw/zinc/77/90/94/402779094.db2.gz WBZBSGAWDPVYSP-OCCSQVGLSA-N 1 0 315.377 2.102 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000183594038 402779958 /nfs/dbraw/zinc/77/99/58/402779958.db2.gz IHPVFAPDOVVOAH-UHFFFAOYSA-N 1 0 313.336 2.093 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NCc1ccc(C)cc1 ZINC000175344316 402798901 /nfs/dbraw/zinc/79/89/01/402798901.db2.gz LMVKOWWXDFWUDY-KRWDZBQOSA-N 1 0 303.450 2.027 10 0 DEAERO O=C(c1csc(-c2ccccn2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000194524514 402801550 /nfs/dbraw/zinc/80/15/50/402801550.db2.gz PCWVTYJFKWFHML-LBPRGKRZSA-N 1 0 314.414 2.125 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCCc2nc(C(C)(C)C)no2)C1 ZINC000194658798 402808843 /nfs/dbraw/zinc/80/88/43/402808843.db2.gz KXMDTLDEFNQGPQ-CYBMUJFWSA-N 1 0 322.453 2.290 10 0 DEAERO Cc1cc(N2CC[C@H]([N@H+](C)Cc3ccc(C)cc3)C2=O)n(C)n1 ZINC000175478777 402810181 /nfs/dbraw/zinc/81/01/81/402810181.db2.gz YBBKJONXCFSCPY-INIZCTEOSA-N 1 0 312.417 2.274 10 0 DEAERO CC[N@H+](CCO)CCNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000183982679 402810585 /nfs/dbraw/zinc/81/05/85/402810585.db2.gz CCKGDJDIAFHCHZ-UHFFFAOYSA-N 1 0 320.364 2.130 10 0 DEAERO COc1ccc(S[C@@H](C)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000194692151 402810728 /nfs/dbraw/zinc/81/07/28/402810728.db2.gz SSTZJQUVLBQWGW-STQMWFEESA-N 1 0 308.447 2.386 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000194711628 402811676 /nfs/dbraw/zinc/81/16/76/402811676.db2.gz OIKPNBLXGKVYIM-RDJZCZTQSA-N 1 0 318.417 2.068 10 0 DEAERO Cc1cc(NC(=O)[C@@H](C)N2CCC(C[NH+]3CCCC3)CC2)on1 ZINC000194733134 402813247 /nfs/dbraw/zinc/81/32/47/402813247.db2.gz JDAKTQPHAKQHTC-CQSZACIVSA-N 1 0 320.437 2.118 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000194734151 402813854 /nfs/dbraw/zinc/81/38/54/402813854.db2.gz YXQNRKDTDKIUQQ-NSHDSACASA-N 1 0 302.296 2.409 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)C[C@@H](C)O ZINC000175559677 402817297 /nfs/dbraw/zinc/81/72/97/402817297.db2.gz HZYFPSVGQAGTBK-RBSFLKMASA-N 1 0 311.470 2.052 10 0 DEAERO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2nccn2CC(C)C)C1 ZINC000175556166 402817517 /nfs/dbraw/zinc/81/75/17/402817517.db2.gz RHXFBUPEARTTEC-HNNXBMFYSA-N 1 0 321.469 2.070 10 0 DEAERO CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000194878895 402820532 /nfs/dbraw/zinc/82/05/32/402820532.db2.gz ASYGUDOANWNNEW-WMLDXEAASA-N 1 0 315.454 2.074 10 0 DEAERO C[C@H](CCNc1ncnc2c1cnn2C)NC(=O)OC(C)(C)C ZINC000194979392 402825060 /nfs/dbraw/zinc/82/50/60/402825060.db2.gz FOMSGXUMWAQBKD-SNVBAGLBSA-N 1 0 320.397 2.079 10 0 DEAERO Cn1c2ccc(CN3CC[C@@H]([NH+]4CCCC4)C3)cc2sc1=O ZINC000194998922 402825736 /nfs/dbraw/zinc/82/57/36/402825736.db2.gz ZMWSAXZALLTSIF-CQSZACIVSA-N 1 0 317.458 2.270 10 0 DEAERO C[NH+](C)C1CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000175746302 402828405 /nfs/dbraw/zinc/82/84/05/402828405.db2.gz JUBPCXIOXQKXDU-MRXNPFEDSA-N 1 0 321.852 2.471 10 0 DEAERO O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195095995 402831583 /nfs/dbraw/zinc/83/15/83/402831583.db2.gz CPCGRXWMPFWMOW-ZKKXHLJNSA-N 1 0 314.385 2.125 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000175855965 402838291 /nfs/dbraw/zinc/83/82/91/402838291.db2.gz NQXHYAUPZRXLRH-KRWDZBQOSA-N 1 0 311.422 2.360 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)C1 ZINC000175953487 402844510 /nfs/dbraw/zinc/84/45/10/402844510.db2.gz QGYDLHRDLVSDKH-HRCADAONSA-N 1 0 311.470 2.221 10 0 DEAERO Cc1noc(Cl)c1CCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195318077 402841384 /nfs/dbraw/zinc/84/13/84/402841384.db2.gz BAUMVCKPDAKPKN-LBPRGKRZSA-N 1 0 311.813 2.266 10 0 DEAERO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000175152773 402783827 /nfs/dbraw/zinc/78/38/27/402783827.db2.gz RGLQOQQDROZEED-SWLSCSKDSA-N 1 0 314.426 2.148 10 0 DEAERO CCn1cc(C2CC[NH+](CCn3c(C)csc3=O)CC2)cn1 ZINC000195499915 402847550 /nfs/dbraw/zinc/84/75/50/402847550.db2.gz AOZXENDAKHECJZ-UHFFFAOYSA-N 1 0 320.462 2.314 10 0 DEAERO CCSCc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)no1 ZINC000184525400 402849153 /nfs/dbraw/zinc/84/91/53/402849153.db2.gz JWNBECQEXRELDZ-NWDGAFQWSA-N 1 0 309.435 2.236 10 0 DEAERO C[C@H](CCc1cccn1C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000176032830 402849172 /nfs/dbraw/zinc/84/91/72/402849172.db2.gz MIIVFEZUQLKJNV-WBVHZDCISA-N 1 0 316.449 2.002 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2COc3ccccc32)C1 ZINC000176047635 402850172 /nfs/dbraw/zinc/85/01/72/402850172.db2.gz HUIUCNKNTZUNRI-HIFRSBDPSA-N 1 0 303.406 2.246 10 0 DEAERO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCCC1(C)C ZINC000176046948 402850263 /nfs/dbraw/zinc/85/02/63/402850263.db2.gz LQKFYVNKKIZUAG-UHFFFAOYSA-N 1 0 318.421 2.253 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000268210823 403062370 /nfs/dbraw/zinc/06/23/70/403062370.db2.gz VKACHPQXXHLLFZ-CQSZACIVSA-N 1 0 317.433 2.222 10 0 DEAERO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1cccc2nccn21)C1CC1 ZINC000275767289 403121667 /nfs/dbraw/zinc/12/16/67/403121667.db2.gz RBHOKPBQFKJTEV-INIZCTEOSA-N 1 0 312.417 2.310 10 0 DEAERO Cc1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnn1 ZINC000276368955 403168079 /nfs/dbraw/zinc/16/80/79/403168079.db2.gz KCDZNORMWZXKQX-ZIAGYGMSSA-N 1 0 302.422 2.168 10 0 DEAERO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnn1 ZINC000276368947 403168336 /nfs/dbraw/zinc/16/83/36/403168336.db2.gz KCDZNORMWZXKQX-KBPBESRZSA-N 1 0 302.422 2.168 10 0 DEAERO C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cn[nH]c1 ZINC000285084466 403277729 /nfs/dbraw/zinc/27/77/29/403277729.db2.gz JSWBJIXJABRAMI-YJBOKZPZSA-N 1 0 314.433 2.351 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncnc2c1ncn2C1CC1 ZINC000292298772 403348717 /nfs/dbraw/zinc/34/87/17/403348717.db2.gz ABYUWIOTXHDYRJ-TZMCWYRMSA-N 1 0 312.421 2.224 10 0 DEAERO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cnc(C)cn2)C1 ZINC000331194735 403350682 /nfs/dbraw/zinc/35/06/82/403350682.db2.gz WRBOAEZMYBQAPI-CABCVRRESA-N 1 0 304.438 2.474 10 0 DEAERO c1coc([C@H](C[NH2+]Cc2cn3cccnc3n2)N2CCCC2)c1 ZINC000298179547 403326143 /nfs/dbraw/zinc/32/61/43/403326143.db2.gz YJYLCBIKNQBXOI-HNNXBMFYSA-N 1 0 311.389 2.249 10 0 DEAERO c1c(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)nc2ncccn12 ZINC000298454152 403385751 /nfs/dbraw/zinc/38/57/51/403385751.db2.gz OBCYGGSUFNHKJV-OAHLLOKOSA-N 1 0 307.401 2.345 10 0 DEAERO CC(=O)c1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)n(C)c1 ZINC000343164485 403484101 /nfs/dbraw/zinc/48/41/01/403484101.db2.gz LAMZOHRIKQPCHE-CHWSQXEVSA-N 1 0 305.422 2.220 10 0 DEAERO CO[C@H]1CCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000332789106 403617567 /nfs/dbraw/zinc/61/75/67/403617567.db2.gz OOPPXXXTENVOTR-SDKNFDLMSA-N 1 0 309.454 2.116 10 0 DEAERO Cc1ccc2c(c1C)OC[C@H]2NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000332834918 403623201 /nfs/dbraw/zinc/62/32/01/403623201.db2.gz YFVZBMOAEFTOMV-CZUORRHYSA-N 1 0 315.417 2.273 10 0 DEAERO Cc1cc(C)n(-c2cncc(N3CC[NH+](CC(C)C)CC3)n2)n1 ZINC000301664156 403660864 /nfs/dbraw/zinc/66/08/64/403660864.db2.gz ZAJNLLXEHRWONC-UHFFFAOYSA-N 1 0 314.437 2.057 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000333102756 403666542 /nfs/dbraw/zinc/66/65/42/403666542.db2.gz AYUWMXZDDRBUTM-LBPRGKRZSA-N 1 0 307.369 2.114 10 0 DEAERO Cc1nn2c(CN[C@H]3CC[NH2+]C[C@@H]3C)c(C(C)C)nc2s1 ZINC000333176202 403686040 /nfs/dbraw/zinc/68/60/40/403686040.db2.gz QYRSYXLXABYZCU-JQWIXIFHSA-N 1 0 307.467 2.310 10 0 DEAERO CC(C)c1nnc2ccc(NC(=O)N[C@H]3CCCC[NH2+]C3)cn21 ZINC000333356382 403732557 /nfs/dbraw/zinc/73/25/57/403732557.db2.gz SCFJNHQEYAXSNX-LBPRGKRZSA-N 1 0 316.409 2.116 10 0 DEAERO O=C(NCc1ccc2ccccc2n1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333425373 403749044 /nfs/dbraw/zinc/74/90/44/403749044.db2.gz TWBXHNFUASBTII-HOCLYGCPSA-N 1 0 310.401 2.128 10 0 DEAERO C[C@@H]1CN(C(=O)Nc2ccc3cc[nH]c(=O)c3c2)C[C@H]1[NH+](C)C ZINC000333438973 403752435 /nfs/dbraw/zinc/75/24/35/403752435.db2.gz WARNOKSFTTYNJC-IAQYHMDHSA-N 1 0 314.389 2.354 10 0 DEAERO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1CCCC[C@@H]1O ZINC000333451366 403754582 /nfs/dbraw/zinc/75/45/82/403754582.db2.gz NRSVCBSLCQUIRZ-BBWFWOEESA-N 1 0 323.481 2.386 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333466951 403758851 /nfs/dbraw/zinc/75/88/51/403758851.db2.gz ACEPCEMZQYZYSY-OCCSQVGLSA-N 1 0 321.469 2.449 10 0 DEAERO c1ccc(OC2CC2)c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000289023775 403810447 /nfs/dbraw/zinc/81/04/47/403810447.db2.gz AWCWLCIEJLVECP-INIZCTEOSA-N 1 0 316.445 2.382 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C1(CC)CC ZINC000191066816 286387635 /nfs/dbraw/zinc/38/76/35/286387635.db2.gz SPMBECIIIYPBDA-HZSPNIEDSA-N 1 0 305.484 2.241 10 0 DEAERO C[C@H]1CCN(C(=O)c2cccc([C@H]3CCOC3)c2)[C@@H](C)[C@H]1[NH3+] ZINC000333711953 403827719 /nfs/dbraw/zinc/82/77/19/403827719.db2.gz GNPRMWNNHJAZQG-PYTWLRIVSA-N 1 0 302.418 2.388 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000333715437 403829757 /nfs/dbraw/zinc/82/97/57/403829757.db2.gz SXYIWGAAHSQNNF-FRRDWIJNSA-N 1 0 308.451 2.378 10 0 DEAERO CC1(C)CN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@@H]1c1ccncc1 ZINC000333735460 403837599 /nfs/dbraw/zinc/83/75/99/403837599.db2.gz WVHQWLGDCRTJPQ-LSDHHAIUSA-N 1 0 302.422 2.316 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000333802939 403865933 /nfs/dbraw/zinc/86/59/33/403865933.db2.gz OIQHVDXVACJSKQ-LMXCAXCTSA-N 1 0 305.466 2.356 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000361807931 403877502 /nfs/dbraw/zinc/87/75/02/403877502.db2.gz LLZNNJMUKCQLQX-JKSUJKDBSA-N 1 0 324.465 2.441 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000305212497 403880151 /nfs/dbraw/zinc/88/01/51/403880151.db2.gz GLPNAVOSOWUSCO-NVXWUHKLSA-N 1 0 304.434 2.270 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)c2ccccc2O1 ZINC000333841074 403880406 /nfs/dbraw/zinc/88/04/06/403880406.db2.gz VBUWBJXLJDWUCQ-UMVBOHGHSA-N 1 0 303.406 2.340 10 0 DEAERO O=C(NCc1ccc2ncccc2c1)N1CCC2(CC[NH2+]2)CC1 ZINC000333839608 403880651 /nfs/dbraw/zinc/88/06/51/403880651.db2.gz NZXHMYKJQJRWME-UHFFFAOYSA-N 1 0 310.401 2.272 10 0 DEAERO CC(C)(C)[C@@H](O)C[NH2+]CCCn1cc(Br)cn1 ZINC000310079403 403966366 /nfs/dbraw/zinc/96/63/66/403966366.db2.gz IAQROFFUZJJSOI-NSHDSACASA-N 1 0 304.232 2.032 10 0 DEAERO CCOC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000313284306 403981043 /nfs/dbraw/zinc/98/10/43/403981043.db2.gz DSCJQEASWFYWGQ-ZWKOTPCHSA-N 1 0 307.434 2.455 10 0 DEAERO Cn1cnc(CC[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000313261883 403981752 /nfs/dbraw/zinc/98/17/52/403981752.db2.gz KAOHSPAYMNHSPU-AWEZNQCLSA-N 1 0 322.453 2.199 10 0 DEAERO CCC[C@@H](O)C[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000295948818 404024656 /nfs/dbraw/zinc/02/46/56/404024656.db2.gz LQDKVSRUVDVUGG-CVEARBPZSA-N 1 0 319.449 2.296 10 0 DEAERO Cc1c(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)[nH]c2c1C(=O)CCC2 ZINC000337156997 403969948 /nfs/dbraw/zinc/96/99/48/403969948.db2.gz PXYAKXSLBCMMEP-RYUDHWBXSA-N 1 0 303.406 2.055 10 0 DEAERO C[C@H]1C[N@H+](CCOc2ccc(F)cc2)CC2(CCOCC2)O1 ZINC000369297675 404037062 /nfs/dbraw/zinc/03/70/62/404037062.db2.gz GYKNWSIFZPSLMO-AWEZNQCLSA-N 1 0 309.381 2.474 10 0 DEAERO c1cn(-c2csc(C[NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)c2)cn1 ZINC000344331952 404063867 /nfs/dbraw/zinc/06/38/67/404063867.db2.gz YFCLWIXPCIWBGS-CJNGLKHVSA-N 1 0 319.430 2.362 10 0 DEAERO c1cc(-c2ccc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)o2)n[nH]1 ZINC000369485710 404113426 /nfs/dbraw/zinc/11/34/26/404113426.db2.gz RWQPBNVOUFJFOI-HIFRSBDPSA-N 1 0 305.403 2.376 10 0 DEAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000328653921 404124139 /nfs/dbraw/zinc/12/41/39/404124139.db2.gz XBSRIVYRJNSEFL-OAHLLOKOSA-N 1 0 304.438 2.294 10 0 DEAERO C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CCc2nccn2C1 ZINC000328650288 404124264 /nfs/dbraw/zinc/12/42/64/404124264.db2.gz VNTJOEHWLFWHQB-CJNGLKHVSA-N 1 0 303.381 2.250 10 0 DEAERO O[C@@H]1[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CCC12CCOCC2 ZINC000328749322 404143507 /nfs/dbraw/zinc/14/35/07/404143507.db2.gz MIHAUMJRTXXYDP-DMRKSPOLSA-N 1 0 321.461 2.101 10 0 DEAERO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000355421295 404332043 /nfs/dbraw/zinc/33/20/43/404332043.db2.gz LGHQINZDEHECMF-XMTFNYHQSA-N 1 0 308.466 2.430 10 0 DEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(Br)c1F ZINC000296862876 404346998 /nfs/dbraw/zinc/34/69/98/404346998.db2.gz PCCVWDNHHQRZOU-LDYMZIIASA-N 1 0 315.186 2.345 10 0 DEAERO CO[C@H]1C[C@@H](CO)[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000344697773 404315439 /nfs/dbraw/zinc/31/54/39/404315439.db2.gz CDBVQGXXUWCIRF-RYUDHWBXSA-N 1 0 319.323 2.166 10 0 DEAERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2nnnn2C2CC2)C1 ZINC000329625906 404398618 /nfs/dbraw/zinc/39/86/18/404398618.db2.gz OSSHKWBWNUOIAC-OEAJRASXSA-N 1 0 319.453 2.160 10 0 DEAERO Cc1[nH]nc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1C ZINC000329697202 404424584 /nfs/dbraw/zinc/42/45/84/404424584.db2.gz YDVXVVFXDIDUQZ-IAQYHMDHSA-N 1 0 303.366 2.002 10 0 DEAERO CC(C)(C)CN1CCC[C@@H]([N@@H+]2CCc3cc[nH]c(=O)c3C2)C1=O ZINC000330270048 404609010 /nfs/dbraw/zinc/60/90/10/404609010.db2.gz STWSBOARQCHXGR-OAHLLOKOSA-N 1 0 317.433 2.182 10 0 DEAERO CN(CCCO)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000374246116 404702253 /nfs/dbraw/zinc/70/22/53/404702253.db2.gz VJUSAPOGTNONBW-UHFFFAOYSA-N 1 0 311.470 2.057 10 0 DEAERO C[C@H]1CCOCC[N@@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000375728088 404735508 /nfs/dbraw/zinc/73/55/08/404735508.db2.gz XKNZSUZKCYDYMJ-SFHVURJKSA-N 1 0 317.477 2.310 10 0 DEAERO CC(C)[C@@H](O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000375841345 404758172 /nfs/dbraw/zinc/75/81/72/404758172.db2.gz RSDLYCPZJAWQOU-AEGPPILISA-N 1 0 310.463 2.264 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)NC2(C[NH3+])CCCC2)c1 ZINC000415267076 404837269 /nfs/dbraw/zinc/83/72/69/404837269.db2.gz MQYAGGGZERBZDM-UHFFFAOYSA-N 1 0 304.394 2.062 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415275014 404838476 /nfs/dbraw/zinc/83/84/76/404838476.db2.gz URGBECPUOAMPLP-OCCSQVGLSA-N 1 0 318.421 2.118 10 0 DEAERO CCCc1occc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000366946634 404878033 /nfs/dbraw/zinc/87/80/33/404878033.db2.gz SKOACSOVEKHDJG-OAHLLOKOSA-N 1 0 319.449 2.084 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](CCc2ccc(C)cc2)CC12COC2 ZINC000451143006 404879108 /nfs/dbraw/zinc/87/91/08/404879108.db2.gz WTISJXNYGGDKTG-INIZCTEOSA-N 1 0 303.402 2.049 10 0 DEAERO CN(CCN1CCOC(C)(C)C1)C(=O)N[C@@H]1CCC12CCCC2 ZINC000434422289 404895149 /nfs/dbraw/zinc/89/51/49/404895149.db2.gz QQLBXGGRTWGEQT-OAHLLOKOSA-N 1 0 323.481 2.461 10 0 DEAERO OCC[C@@H]1CSCC[N@@H+]1CCCc1ccc2c(c1)CCO2 ZINC000360967565 404864288 /nfs/dbraw/zinc/86/42/88/404864288.db2.gz AVELLFBOHUXMIE-MRXNPFEDSA-N 1 0 307.459 2.354 10 0 DEAERO CCn1cnnc1C1CC[NH+](Cc2ccnc(OC)c2)CC1 ZINC000378300263 404920697 /nfs/dbraw/zinc/92/06/97/404920697.db2.gz WIHBLFSSVMQTDG-UHFFFAOYSA-N 1 0 301.394 2.081 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000361128992 404933546 /nfs/dbraw/zinc/93/35/46/404933546.db2.gz NUFPVUARVDGMDS-CQSZACIVSA-N 1 0 304.369 2.193 10 0 DEAERO Cc1cc(-c2nnc(CN3CC[N@@H+](C)CC3(C)C)o2)c(C)o1 ZINC000408054538 405100358 /nfs/dbraw/zinc/10/03/58/405100358.db2.gz NAWINFWLDIPLBG-UHFFFAOYSA-N 1 0 304.394 2.472 10 0 DEAERO CCn1ncnc1CNC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398104607 405060642 /nfs/dbraw/zinc/06/06/42/405060642.db2.gz OHQWVOPIPNVTJA-GOSISDBHSA-N 1 0 313.449 2.442 10 0 DEAERO COc1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)cn1 ZINC000436304011 405068265 /nfs/dbraw/zinc/06/82/65/405068265.db2.gz DNHBPFNJJUCVES-CQSZACIVSA-N 1 0 300.358 2.410 10 0 DEAERO CC(=O)c1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)[nH]1 ZINC000408021066 405092552 /nfs/dbraw/zinc/09/25/52/405092552.db2.gz GJSSZGOUGKYBCF-KGLIPLIRSA-N 1 0 303.406 2.305 10 0 DEAERO Cc1cc(-c2nnc(CN3C[C@@H](C)[N@@H+](C)C[C@@H]3C)o2)c(C)o1 ZINC000408074988 405105840 /nfs/dbraw/zinc/10/58/40/405105840.db2.gz YBCLTKBOMLXNMM-MNOVXSKESA-N 1 0 304.394 2.471 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000408181480 405133141 /nfs/dbraw/zinc/13/31/41/405133141.db2.gz CYDPOVDIXSAITC-SBJFKYEJSA-N 1 0 309.454 2.114 10 0 DEAERO CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000568408740 292339190 /nfs/dbraw/zinc/33/91/90/292339190.db2.gz XDNHUVUJQZXIJR-GUYCJALGSA-N 1 0 318.417 2.453 10 0 DEAERO COC1([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)CCOCC1 ZINC000453257586 405290146 /nfs/dbraw/zinc/29/01/46/405290146.db2.gz SGKBMTPUAQOBDT-CGTJXYLNSA-N 1 0 319.445 2.326 10 0 DEAERO COC1([C@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)CCOCC1 ZINC000453056029 405279909 /nfs/dbraw/zinc/27/99/09/405279909.db2.gz KNDKCQTZBBNYMX-AWEZNQCLSA-N 1 0 321.417 2.174 10 0 DEAERO c1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)nc(N2CCCCC2)n1 ZINC000420251127 405301113 /nfs/dbraw/zinc/30/11/13/405301113.db2.gz KYNYYIBAZALIBL-KRWDZBQOSA-N 1 0 301.438 2.047 10 0 DEAERO Cc1nc(CC(C)C)c(C(=O)NCCNc2cc[nH+]cc2)s1 ZINC000446736433 405391344 /nfs/dbraw/zinc/39/13/44/405391344.db2.gz PCPUUZMTIWNTRW-UHFFFAOYSA-N 1 0 318.446 2.309 10 0 DEAERO CCOCc1nc(C)c(C(=O)NC[C@@H]2CC[N@H+](CC)C2)s1 ZINC000448763454 405445535 /nfs/dbraw/zinc/44/55/35/405445535.db2.gz OFJZDCNHOCODEX-LBPRGKRZSA-N 1 0 311.451 2.060 10 0 DEAERO c1ncn(-c2ccc(C[NH2+]Cc3cnc4n3CCCC4)cc2)n1 ZINC000556411333 405480605 /nfs/dbraw/zinc/48/06/05/405480605.db2.gz BHWWQAVYHFPCSN-UHFFFAOYSA-N 1 0 308.389 2.090 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2F)CC12COC2 ZINC000449362533 405525693 /nfs/dbraw/zinc/52/56/93/405525693.db2.gz KOKMRROVTLSEKK-AWEZNQCLSA-N 1 0 307.365 2.146 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1cccc(Br)c1 ZINC000638569893 405550644 /nfs/dbraw/zinc/55/06/44/405550644.db2.gz JYGZRYIHQQAPFF-QWHCGFSZSA-N 1 0 311.223 2.248 10 0 DEAERO Cc1cc(CCNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)on1 ZINC000557777809 405628069 /nfs/dbraw/zinc/62/80/69/405628069.db2.gz UWZPVRKAUTYTFJ-ZIAGYGMSSA-N 1 0 308.426 2.088 10 0 DEAERO Cc1cc(CCNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)on1 ZINC000557777808 405628251 /nfs/dbraw/zinc/62/82/51/405628251.db2.gz UWZPVRKAUTYTFJ-UONOGXRCSA-N 1 0 308.426 2.088 10 0 DEAERO c1nc(N2CCCC2)ncc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000580516184 405629515 /nfs/dbraw/zinc/62/95/15/405629515.db2.gz PYEWQSNMGLALGN-KRWDZBQOSA-N 1 0 302.422 2.079 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)COc1cc(Cl)ccc1Cl ZINC000638772192 405661450 /nfs/dbraw/zinc/66/14/50/405661450.db2.gz YFNVBTWCKVOBSQ-GZMMTYOYSA-N 1 0 303.189 2.239 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](CCCSCC(C)C)CC1 ZINC000494384675 405687245 /nfs/dbraw/zinc/68/72/45/405687245.db2.gz IFBYZACFDPHAHR-UHFFFAOYSA-N 1 0 316.511 2.335 10 0 DEAERO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)C1CCOCC1 ZINC000558971417 405713635 /nfs/dbraw/zinc/71/36/35/405713635.db2.gz NGCIOBSXAIHTMC-YESZJQIVSA-N 1 0 311.466 2.349 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000638885027 405739379 /nfs/dbraw/zinc/73/93/79/405739379.db2.gz AKWAXEPWGCDRJC-PSASIEDQSA-N 1 0 315.186 2.255 10 0 DEAERO C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2)C[C@H]1C[NH3+] ZINC000638887206 405740850 /nfs/dbraw/zinc/74/08/50/405740850.db2.gz JZWKIAOFKQUPCW-WCBMZHEXSA-N 1 0 315.186 2.255 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)NC(C)(C)C[NH+](C)C)cc2)c1 ZINC000457215196 405756453 /nfs/dbraw/zinc/75/64/53/405756453.db2.gz YJBPFALOEKKCDG-UHFFFAOYSA-N 1 0 300.406 2.251 10 0 DEAERO Cn1nccc1C[NH2+][C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1 ZINC000583616587 405774460 /nfs/dbraw/zinc/77/44/60/405774460.db2.gz MONQLQVBIADTIS-WMZOPIPTSA-N 1 0 323.400 2.226 10 0 DEAERO COc1nsc(C[NH2+][C@H]2CCOC[C@H]2C)c1Br ZINC000639121201 405898773 /nfs/dbraw/zinc/89/87/73/405898773.db2.gz NFSPATDFIZBBLV-SFYZADRCSA-N 1 0 321.240 2.429 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000457523906 405881622 /nfs/dbraw/zinc/88/16/22/405881622.db2.gz OKCFYJQWFNQANF-UHFFFAOYSA-N 1 0 318.417 2.338 10 0 DEAERO CO[C@H](C[NH2+]C[C@@H]1CCCCS1(=O)=O)C1CCCCC1 ZINC000639035636 405833141 /nfs/dbraw/zinc/83/31/41/405833141.db2.gz FUINKMUMGYHYLX-LSDHHAIUSA-N 1 0 303.468 2.139 10 0 DEAERO c1c(CN2CCC[C@@H]2C[NH+]2CCCCC2)nnn1CC1CC1 ZINC000450347060 405847338 /nfs/dbraw/zinc/84/73/38/405847338.db2.gz IRUIQULKPNABSG-QGZVFWFLSA-N 1 0 303.454 2.138 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000457457138 405849408 /nfs/dbraw/zinc/84/94/08/405849408.db2.gz LMJFMSKTSHFOGX-HOTGVXAUSA-N 1 0 316.401 2.138 10 0 DEAERO C[N@@H+]1CCC[C@H](CCNC(=O)NC2(CCO)CCCCC2)C1 ZINC000459325546 405853967 /nfs/dbraw/zinc/85/39/67/405853967.db2.gz WTXIBWWIELSEDH-OAHLLOKOSA-N 1 0 311.470 2.103 10 0 DEAERO C(C[C@@H]1CCO1)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000639067831 405857823 /nfs/dbraw/zinc/85/78/23/405857823.db2.gz ZUVRBWUZTQECFA-OAHLLOKOSA-N 1 0 304.438 2.363 10 0 DEAERO COc1ccc(-c2nc(CNC(C)(C)C[NH+](C)C)no2)cc1 ZINC000459539805 405947063 /nfs/dbraw/zinc/94/70/63/405947063.db2.gz QAARVSPGFFHXRI-UHFFFAOYSA-N 1 0 304.394 2.175 10 0 DEAERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(C)cc(C(=O)OC)c2)C[C@@H]1C ZINC000457677459 405947590 /nfs/dbraw/zinc/94/75/90/405947590.db2.gz CUYNNAKHMBCDOJ-UONOGXRCSA-N 1 0 318.417 2.336 10 0 DEAERO O=C(NC1(CCO)CCCCC1)C1C[NH+](C2CCCCC2)C1 ZINC000457699726 405957167 /nfs/dbraw/zinc/95/71/67/405957167.db2.gz WWXHPLJCFUPDRR-UHFFFAOYSA-N 1 0 308.466 2.452 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000457603764 405916555 /nfs/dbraw/zinc/91/65/55/405916555.db2.gz POTBCPJKAWJTED-CVEARBPZSA-N 1 0 316.401 2.090 10 0 DEAERO CC(C)C[C@H](C)[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000451033225 406024406 /nfs/dbraw/zinc/02/44/06/406024406.db2.gz ATYBAHLETMZYHD-UONOGXRCSA-N 1 0 302.484 2.215 10 0 DEAERO CS[C@H]1CN(Cc2nnc(C(C)C)s2)C[C@H]1[NH+](C)C ZINC000450636353 405974994 /nfs/dbraw/zinc/97/49/94/405974994.db2.gz MPKQHKBNTIKDGH-MNOVXSKESA-N 1 0 300.497 2.139 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2 ZINC000567586170 406100703 /nfs/dbraw/zinc/10/07/03/406100703.db2.gz JQSHCXCTXBRNKE-OLZOCXBDSA-N 1 0 317.433 2.125 10 0 DEAERO c1cc(C[NH2+]CCc2cnc(C3CC3)nc2)c2c(c1)OCCO2 ZINC000533742752 406160367 /nfs/dbraw/zinc/16/03/67/406160367.db2.gz MERVDEWCBZWDGP-UHFFFAOYSA-N 1 0 311.385 2.458 10 0 DEAERO c1ncn(CC2CC[NH+](Cc3cccc4c3CCOC4)CC2)n1 ZINC000639598183 406162507 /nfs/dbraw/zinc/16/25/07/406162507.db2.gz JZPCIOKTACOQIG-UHFFFAOYSA-N 1 0 312.417 2.263 10 0 DEAERO c1nc2n(n1)[C@@H](C[N@@H+](CCc1ccccc1)[C@H]1CCOC1)CC2 ZINC000639527046 406129423 /nfs/dbraw/zinc/12/94/23/406129423.db2.gz MTFVDKFGFCUGRL-SJORKVTESA-N 1 0 312.417 2.099 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)Nc2cc(C)ncc2C)CC1 ZINC000535059480 406208558 /nfs/dbraw/zinc/20/85/58/406208558.db2.gz JSQAKLGLMYKZBW-UHFFFAOYSA-N 1 0 304.438 2.364 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000487280112 406221142 /nfs/dbraw/zinc/22/11/42/406221142.db2.gz QULSNFIDJDJTOK-XXILOJSOSA-N 1 0 314.227 2.086 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc2c1CCN2C(C)=O ZINC000546012503 406345406 /nfs/dbraw/zinc/34/54/06/406345406.db2.gz QPDNOOGQSFYCJD-QGZVFWFLSA-N 1 0 315.417 2.409 10 0 DEAERO C/C=C\c1ccc(OCC(=O)NC[C@@H](C)[NH2+]CC)c(OC)c1 ZINC000570710164 406429923 /nfs/dbraw/zinc/42/99/23/406429923.db2.gz KYAZCXQTJOVJQY-SCXUMTSISA-N 1 0 306.406 2.221 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@H]1CCCc2sccc21 ZINC000547361740 406402118 /nfs/dbraw/zinc/40/21/18/406402118.db2.gz DAEXAMSTHGJIPE-AWEZNQCLSA-N 1 0 316.430 2.354 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1nc(C)c2ccccc2n1 ZINC000522545822 406407061 /nfs/dbraw/zinc/40/70/61/406407061.db2.gz JYRBVFQRUDFWOE-MRXNPFEDSA-N 1 0 312.417 2.429 10 0 DEAERO COc1cccc2c1CC[N@H+](CCCc1nc(C)no1)CC2 ZINC000489524016 406415624 /nfs/dbraw/zinc/41/56/24/406415624.db2.gz TZSIUVPHZLYRTR-UHFFFAOYSA-N 1 0 301.390 2.420 10 0 DEAERO c1cnc(N2CCC[C@H]([NH2+]Cc3ccc4nccnc4c3)C2)nc1 ZINC000634954125 406368042 /nfs/dbraw/zinc/36/80/42/406368042.db2.gz ULQXHTBGTQFYPK-HNNXBMFYSA-N 1 0 320.400 2.178 10 0 DEAERO COc1ccc(Cl)cc1C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634956648 406370498 /nfs/dbraw/zinc/37/04/98/406370498.db2.gz OGPRJOICRMUTPZ-CYBMUJFWSA-N 1 0 317.838 2.406 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCC1CCCC1 ZINC000637925124 406479983 /nfs/dbraw/zinc/47/99/83/406479983.db2.gz IEHRQGJBAPMYBC-QGZVFWFLSA-N 1 0 303.450 2.142 10 0 DEAERO CN(Cc1ccc(Br)cc1)C(=O)CCC1C[NH2+]C1 ZINC000637881528 406460146 /nfs/dbraw/zinc/46/01/46/406460146.db2.gz NGWSTPMHOJDWAB-UHFFFAOYSA-N 1 0 311.223 2.407 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637884564 406462094 /nfs/dbraw/zinc/46/20/94/406462094.db2.gz OGOVQLYTZFHLKM-CQSZACIVSA-N 1 0 317.216 2.330 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N(C)CC[NH+]1CCCC1)CC2 ZINC000526001963 406530801 /nfs/dbraw/zinc/53/08/01/406530801.db2.gz AIUQHGLFUBTYTC-AWEZNQCLSA-N 1 0 318.465 2.192 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCCC1(C)C ZINC000638004684 406519612 /nfs/dbraw/zinc/51/96/12/406519612.db2.gz FBTJIQGOVODXMO-HOTGVXAUSA-N 1 0 303.450 2.141 10 0 DEAERO CC(=O)N(Cc1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)cc1)C(C)C ZINC000638008252 406520565 /nfs/dbraw/zinc/52/05/65/406520565.db2.gz YRNGFVJKHXLRII-MRXNPFEDSA-N 1 0 315.417 2.430 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000527247604 406604009 /nfs/dbraw/zinc/60/40/09/406604009.db2.gz FUEDHCXPDOYBOD-MJBXVCDLSA-N 1 0 318.465 2.237 10 0 DEAERO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccn(C)n1 ZINC000549625105 406589404 /nfs/dbraw/zinc/58/94/04/406589404.db2.gz HKEFNZFSDBIYIZ-IJEWVQPXSA-N 1 0 307.438 2.029 10 0 DEAERO Cc1cc(C)n(CC[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)n1 ZINC000551944837 406657598 /nfs/dbraw/zinc/65/75/98/406657598.db2.gz BYUOEDBGDBFANZ-AWEZNQCLSA-N 1 0 301.394 2.250 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC12CCCCC2 ZINC000638290293 406675367 /nfs/dbraw/zinc/67/53/67/406675367.db2.gz FDDCNAPECMOYGK-SJORKVTESA-N 1 0 315.461 2.285 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)Nc1nc(C2CCC2)cs1 ZINC000551874461 406644329 /nfs/dbraw/zinc/64/43/29/406644329.db2.gz WGSXIZWUHHYEEP-UHFFFAOYSA-N 1 0 317.418 2.461 10 0 DEAERO c1ccc([C@H](C[NH2+]CCC[C@@H]2CCO2)N2CCOCC2)cc1 ZINC000638328327 406702811 /nfs/dbraw/zinc/70/28/11/406702811.db2.gz IFYGKOXCNGUEGF-MSOLQXFVSA-N 1 0 304.434 2.219 10 0 DEAERO Cn1cc(CC[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cn1 ZINC000551899751 406646696 /nfs/dbraw/zinc/64/66/96/406646696.db2.gz XFUDAYSRKGXHTN-AWEZNQCLSA-N 1 0 307.438 2.406 10 0 DEAERO c1cnc(N2CCC[C@@H]([NH2+]Cc3nc4ccccc4o3)C2)nc1 ZINC000638380570 406737156 /nfs/dbraw/zinc/73/71/56/406737156.db2.gz XTYXONJAAAMSTK-CYBMUJFWSA-N 1 0 309.373 2.376 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@]1(C)CC1(F)F ZINC000638415005 406758740 /nfs/dbraw/zinc/75/87/40/406758740.db2.gz KJDIUMQRLQSWHX-LNSITVRQSA-N 1 0 312.360 2.081 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H](CCF)C1 ZINC000638420931 406763078 /nfs/dbraw/zinc/76/30/78/406763078.db2.gz WKNXTOQJYBBGJV-SJORKVTESA-N 1 0 321.440 2.044 10 0 DEAERO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000554264183 406789552 /nfs/dbraw/zinc/78/95/52/406789552.db2.gz NGNAAIGUDLZANV-BZZMCLGOSA-N 1 0 320.433 2.021 10 0 DEAERO CO[C@@H](C)[C@@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000570328766 292476471 /nfs/dbraw/zinc/47/64/71/292476471.db2.gz WYIOOWIBQFRCON-PMPSAXMXSA-N 1 0 313.486 2.466 10 0 DEAERO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](C)CS(C)(=O)=O ZINC000246668163 287185885 /nfs/dbraw/zinc/18/58/85/287185885.db2.gz WYAJXZFLAZVQMK-GOEBONIOSA-N 1 0 324.490 2.398 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000122145589 287220905 /nfs/dbraw/zinc/22/09/05/287220905.db2.gz YKAYREXSUGIHKC-WRQOLXDDSA-N 1 0 321.465 2.212 10 0 DEAERO CNC(=O)c1ccn(-c2ccc(Br)cc2[C@@H](C)[NH3+])n1 ZINC000129229399 196031061 /nfs/dbraw/zinc/03/10/61/196031061.db2.gz MDKFERCVJIWMHR-MRVPVSSYSA-N 1 0 323.194 2.014 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@@H]1NC(=O)c1cc(Cl)ncc1Cl ZINC000129436422 196048456 /nfs/dbraw/zinc/04/84/56/196048456.db2.gz KIYSAHKBTITVTD-KCJUWKMLSA-N 1 0 302.205 2.458 10 0 DEAERO C[NH2+][C@H](C)c1ccc(NC(=O)N[C@@H](C)CC[S@](C)=O)cc1 ZINC000129550931 196056729 /nfs/dbraw/zinc/05/67/29/196056729.db2.gz LCGPSKMROJHGMH-QLMNROTDSA-N 1 0 311.451 2.246 10 0 DEAERO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](N)c2cccs2)CC1 ZINC000130522092 196087197 /nfs/dbraw/zinc/08/71/97/196087197.db2.gz XPHOCTTVCSYYCG-HNNXBMFYSA-N 1 0 309.479 2.327 10 0 DEAERO [NH3+]Cc1cccc(S(=O)(=O)NCCCCC(F)(F)F)c1 ZINC000130554461 196090708 /nfs/dbraw/zinc/09/07/08/196090708.db2.gz HSMNRDRTVCKTHD-UHFFFAOYSA-N 1 0 310.341 2.156 10 0 DEAERO CC(C)Cn1ncnc1C[C@@H]([NH3+])c1ccc(Br)cn1 ZINC000130779735 196109410 /nfs/dbraw/zinc/10/94/10/196109410.db2.gz ZUEDIKSIGBGLBG-LLVKDONJSA-N 1 0 324.226 2.334 10 0 DEAERO CC(C)n1ncnc1C[C@H]([NH3+])c1ccc(Br)cn1 ZINC000130779083 196109731 /nfs/dbraw/zinc/10/97/31/196109731.db2.gz XOHPYNVEFWQNRL-JTQLQIEISA-N 1 0 310.199 2.259 10 0 DEAERO CC[NH2+][C@H](Cc1ncnn1CC)c1ccc(Br)cn1 ZINC000130886735 196119603 /nfs/dbraw/zinc/11/96/03/196119603.db2.gz IENSVWCFYGWASW-GFCCVEGCSA-N 1 0 324.226 2.349 10 0 DEAERO COCC[NH2+]CCNCc1cc(C)cc(Br)c1 ZINC000130904737 196120941 /nfs/dbraw/zinc/12/09/41/196120941.db2.gz YGDOGBQJUMSLLZ-UHFFFAOYSA-N 1 0 301.228 2.083 10 0 DEAERO CC(C)(C)[NH2+]Cc1ccc(CS(=O)(=O)C2CCOCC2)o1 ZINC000130930908 196123654 /nfs/dbraw/zinc/12/36/54/196123654.db2.gz NPDNPMBRRWHEGG-UHFFFAOYSA-N 1 0 315.435 2.262 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@@H](Sc2nc(CC)ns2)C1 ZINC000131006421 196131385 /nfs/dbraw/zinc/13/13/85/196131385.db2.gz MQYBJUPDMAASRQ-MFKMUULPSA-N 1 0 301.481 2.476 10 0 DEAERO CCc1nsc(S[C@@H]2CC[C@@](CO)([NH2+]C(C)C)C2)n1 ZINC000131005269 196131570 /nfs/dbraw/zinc/13/15/70/196131570.db2.gz UWAXGUQIXNJVJM-ZWNOBZJWSA-N 1 0 301.481 2.474 10 0 DEAERO CCc1nn([C@@H]2CCS(=O)(=O)C2)c(CC)c1[C@H](CC)[NH2+]C ZINC000131084848 196138572 /nfs/dbraw/zinc/13/85/72/196138572.db2.gz WOANRUYZTDRROE-NEPJUHHUSA-N 1 0 313.467 2.038 10 0 DEAERO O=c1[nH]nc(C2CC[NH2+]CC2)n1-c1ccc(Cl)c(Cl)c1 ZINC000131125112 196141368 /nfs/dbraw/zinc/14/13/68/196141368.db2.gz MQAUERKMPFKTTO-UHFFFAOYSA-N 1 0 313.188 2.334 10 0 DEAERO COCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000131193516 196148925 /nfs/dbraw/zinc/14/89/25/196148925.db2.gz WFZAFEWBSYTIGK-GFCCVEGCSA-N 1 0 306.175 2.032 10 0 DEAERO COc1ccc2c(N)c(C(=O)N3CCC([NH3+])CC3)sc2c1 ZINC000131238777 196151963 /nfs/dbraw/zinc/15/19/63/196151963.db2.gz UGTXODMFERGGRU-UHFFFAOYSA-N 1 0 305.403 2.055 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)CCc1ccc(OC)cc1 ZINC000131241833 196153597 /nfs/dbraw/zinc/15/35/97/196153597.db2.gz YTIFYJUUZGRXOR-OAHLLOKOSA-N 1 0 313.463 2.431 10 0 DEAERO Cc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000131258920 196153908 /nfs/dbraw/zinc/15/39/08/196153908.db2.gz WXSNGZMLDFIEDU-QWRGUYRKSA-N 1 0 309.207 2.049 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cccc(C)c2Br)C1 ZINC000131399209 196164978 /nfs/dbraw/zinc/16/49/78/196164978.db2.gz PISDLJWTGWKFTD-ONGXEEELSA-N 1 0 313.195 2.073 10 0 DEAERO CC[C@@H](C)[C@](C)(O)c1c(Br)cnn1CC[NH+](C)C ZINC000131446163 196170305 /nfs/dbraw/zinc/17/03/05/196170305.db2.gz RELCFGLPXIVMTB-MFKMUULPSA-N 1 0 318.259 2.461 10 0 DEAERO Cc1cccc(NC(=O)C[C@@H]2C[NH2+]CCO2)c1Br ZINC000131460033 196170450 /nfs/dbraw/zinc/17/04/50/196170450.db2.gz XUGGTJCBWDUNGD-SNVBAGLBSA-N 1 0 313.195 2.075 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C(=O)C[C@@H](C)c2ccccc2F)CC1 ZINC000131467952 196171369 /nfs/dbraw/zinc/17/13/69/196171369.db2.gz KMCZBGWFQBEBJK-CABCVRRESA-N 1 0 322.424 2.234 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)/C=C(/C)c2cccc(F)c2)CC1 ZINC000131597344 196182558 /nfs/dbraw/zinc/18/25/58/196182558.db2.gz VJBIIYZBAZKJEI-VWILAXROSA-N 1 0 320.408 2.144 10 0 DEAERO C[C@H](C[NH+](C)C)N1C(=O)C2(CCCC2)N[C@@H]1c1cccs1 ZINC000131649454 196187794 /nfs/dbraw/zinc/18/77/94/196187794.db2.gz YPBRUAAYBFEXKP-OCCSQVGLSA-N 1 0 307.463 2.441 10 0 DEAERO CC[S@](=O)CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000131650059 196188116 /nfs/dbraw/zinc/18/81/16/196188116.db2.gz JDXOQTWJSNDMCU-MRXNPFEDSA-N 1 0 308.216 2.446 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(OCCCS(C)(=O)=O)c(F)c1 ZINC000131740136 196195150 /nfs/dbraw/zinc/19/51/50/196195150.db2.gz SRQABLRSTPEWCA-LLVKDONJSA-N 1 0 303.399 2.310 10 0 DEAERO COC[C@H](C)[C@H](C[NH3+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000131936712 196211813 /nfs/dbraw/zinc/21/18/13/196211813.db2.gz XHXXGZFWECUMHB-BBRMVZONSA-N 1 0 311.857 2.072 10 0 DEAERO CC[NH2+]Cc1cc(Cl)cc(OC)c1O[C@@H]1CCN(C)C1=O ZINC000132110644 196226485 /nfs/dbraw/zinc/22/64/85/196226485.db2.gz YCBYWYTYARFYGS-GFCCVEGCSA-N 1 0 312.797 2.068 10 0 DEAERO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000132174732 196232488 /nfs/dbraw/zinc/23/24/88/196232488.db2.gz FEEWEBRKMZJCSD-LSDHHAIUSA-N 1 0 311.470 2.049 10 0 DEAERO [NH3+]C1(C(=O)N2CCc3sccc3[C@H]2C2CC2)CCOCC1 ZINC000132166179 196232689 /nfs/dbraw/zinc/23/26/89/196232689.db2.gz YKEZMXYYRQAKGX-CQSZACIVSA-N 1 0 306.431 2.092 10 0 DEAERO CCSCC[C@H](C[NH3+])N1CCN(c2ccccc2F)CC1 ZINC000132583350 196268494 /nfs/dbraw/zinc/26/84/94/196268494.db2.gz BANFXEOAEAYPBC-CQSZACIVSA-N 1 0 311.470 2.418 10 0 DEAERO CCOCCCC[NH2+]CCn1c(=O)cccc1C(F)(F)F ZINC000132819840 196287414 /nfs/dbraw/zinc/28/74/14/196287414.db2.gz LRWKYEVGMQJPGK-UHFFFAOYSA-N 1 0 306.328 2.273 10 0 DEAERO Nc1cc[nH+]cc1C[C@H](O)c1cc(Br)ccc1N ZINC000132867748 196291371 /nfs/dbraw/zinc/29/13/71/196291371.db2.gz OMHXZHOJLZPMBQ-ZDUSSCGKSA-N 1 0 308.179 2.285 10 0 DEAERO CCCn1ncc(Br)c1[C@@]1(O)CCC[C@@H]([NH3+])C1 ZINC000132887246 196293619 /nfs/dbraw/zinc/29/36/19/196293619.db2.gz DPVVCSRVTRQBPK-BXKDBHETSA-N 1 0 302.216 2.145 10 0 DEAERO COc1ccc(C[C@@H](O)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000133095757 196311386 /nfs/dbraw/zinc/31/13/86/196311386.db2.gz ROXUFQHPCVCGOV-DGCLKSJQSA-N 1 0 314.223 2.361 10 0 DEAERO [NH3+][C@H](c1nn2c(nnc2[C@H]2CCOC2)s1)C1CCCCC1 ZINC000133811207 196337180 /nfs/dbraw/zinc/33/71/80/196337180.db2.gz KQBKROJBNHGTBK-QWRGUYRKSA-N 1 0 307.423 2.270 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H](COc2ncc(Cl)cc2Br)O1 ZINC000133852655 196340430 /nfs/dbraw/zinc/34/04/30/196340430.db2.gz NZYKSGPZYXQVJF-VXNVDRBHSA-N 1 0 321.602 2.253 10 0 DEAERO [NH3+][C@H]1CN(c2cc(Br)cc(C(F)(F)F)c2)C1=O ZINC000133975207 196350972 /nfs/dbraw/zinc/35/09/72/196350972.db2.gz UVNNRTSWRSURIE-QMMMGPOBSA-N 1 0 309.085 2.142 10 0 DEAERO CCC(CC)(C(=O)c1c(Cl)cnn1CC[NH+](C)C)N(C)C ZINC000134125332 196363072 /nfs/dbraw/zinc/36/30/72/196363072.db2.gz RAFZLJUBYZZKDQ-UHFFFAOYSA-N 1 0 314.861 2.401 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)NCCC2CCC2)cc1Cl ZINC000134158925 196366841 /nfs/dbraw/zinc/36/68/41/196366841.db2.gz NJTXGHIRPQBMRC-UHFFFAOYSA-N 1 0 302.827 2.267 10 0 DEAERO CC[S@@](=O)CCN1C[C@H](C2CC2)[NH2+]C[C@@H]1c1ccccc1 ZINC000134235268 196372922 /nfs/dbraw/zinc/37/29/22/196372922.db2.gz QCGZSDDHRYLZOA-LZJOCLMNSA-N 1 0 306.475 2.180 10 0 DEAERO CCC[C@@H](O)C[NH2+]Cc1c(Br)c(C)nn1CC ZINC000134404421 196387114 /nfs/dbraw/zinc/38/71/14/196387114.db2.gz FKFITHNQDQUOJJ-SNVBAGLBSA-N 1 0 304.232 2.225 10 0 DEAERO O=C(CC[C@H]1CC[NH2+]C1)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000134494358 196396365 /nfs/dbraw/zinc/39/63/65/196396365.db2.gz FGUXAZFSUNOVPZ-VIFPVBQESA-N 1 0 307.781 2.163 10 0 DEAERO COc1c(Nc2ccc(Br)cc2)nc[nH+]c1NN ZINC000135001167 196437432 /nfs/dbraw/zinc/43/74/32/196437432.db2.gz SKMICUUVQWDFOV-UHFFFAOYSA-N 1 0 310.155 2.277 10 0 DEAERO CC[C@@H]1SCCS[C@@H]1[C@@H](Cc1ncnn1CC)[NH2+]C ZINC000135868015 196505731 /nfs/dbraw/zinc/50/57/31/196505731.db2.gz WZQWYVYBYIGBHE-NTZNESFSSA-N 1 0 300.497 2.056 10 0 DEAERO COCCC1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000151149808 196638847 /nfs/dbraw/zinc/63/88/47/196638847.db2.gz XWVKQIXCZRPENZ-GOOCMWNKSA-N 1 0 309.454 2.118 10 0 DEAERO CCS(=O)(=O)C[C@@H](C)[NH2+]CCc1cn(C)c2cc(C)ccc12 ZINC000188699161 225030691 /nfs/dbraw/zinc/03/06/91/225030691.db2.gz CVJKLJXLGCDXEU-CQSZACIVSA-N 1 0 322.474 2.442 10 0 DEAERO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)[C@H]1CCCO1 ZINC000189191141 225045905 /nfs/dbraw/zinc/04/59/05/225045905.db2.gz HQFMLXGIFJCLHA-WMLDXEAASA-N 1 0 302.418 2.119 10 0 DEAERO CO[C@@H](C)c1cccc(NC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000188063916 225007877 /nfs/dbraw/zinc/00/78/77/225007877.db2.gz QBKYJIUDUHXLMN-AWEZNQCLSA-N 1 0 321.421 2.238 10 0 DEAERO C[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2)CC[N@@H+]1CCO ZINC000190248251 225078856 /nfs/dbraw/zinc/07/88/56/225078856.db2.gz JBBSGCRPVUPTPS-GFCCVEGCSA-N 1 0 318.339 2.084 10 0 DEAERO C[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000190240793 225079079 /nfs/dbraw/zinc/07/90/79/225079079.db2.gz CVKQHWTVGXHPKM-LLVKDONJSA-N 1 0 320.330 2.343 10 0 DEAERO C[NH+](C)C1CCN(C(=O)Nc2nnc(C(C)(C)C)s2)CC1 ZINC000193570696 225164268 /nfs/dbraw/zinc/16/42/68/225164268.db2.gz GBDKEIZNQOVLFP-UHFFFAOYSA-N 1 0 311.455 2.394 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC1CCC1)C(C)C ZINC000193653322 225164856 /nfs/dbraw/zinc/16/48/56/225164856.db2.gz RHEFJQIRSBNCCM-INIZCTEOSA-N 1 0 311.470 2.317 10 0 DEAERO C[NH+](C)[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)s2)C1 ZINC000302082053 230085347 /nfs/dbraw/zinc/08/53/47/230085347.db2.gz CKUNDHFPNZXQSM-CYBMUJFWSA-N 1 0 306.410 2.408 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nccnc1N(C)C ZINC000302211580 230168590 /nfs/dbraw/zinc/16/85/90/230168590.db2.gz ZKKWSHOXQJGZOR-ZBFHGGJFSA-N 1 0 311.433 2.475 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](Nc2cc[nH]n2)C1 ZINC000616628312 422516031 /nfs/dbraw/zinc/51/60/31/422516031.db2.gz JBJMUKPEJQOBEH-CYBMUJFWSA-N 1 0 323.441 2.201 10 0 DEAERO c1ncn(C[C@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)n1 ZINC000105883779 424849266 /nfs/dbraw/zinc/84/92/66/424849266.db2.gz OKPHOSVWLXIWOG-INIZCTEOSA-N 1 0 322.416 2.376 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000194628145 424877672 /nfs/dbraw/zinc/87/76/72/424877672.db2.gz HJUCUPYKHPQMEU-MRXNPFEDSA-N 1 0 315.417 2.249 10 0 DEAERO CC[C@H](C)n1nc(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1C ZINC000546583938 424864957 /nfs/dbraw/zinc/86/49/57/424864957.db2.gz BMVAEPNQWVTZOX-AWEZNQCLSA-N 1 0 319.453 2.936 10 0 DEAERO Cc1ccc(C[NH2+]C2COCCOC2)c(Br)c1 ZINC000380088608 424907531 /nfs/dbraw/zinc/90/75/31/424907531.db2.gz GHZKPUVQARUBMV-UHFFFAOYSA-N 1 0 300.196 2.263 10 0 DEAERO C[C@H]1C[C@H]([NH2+]C2COCCOC2)CCN1Cc1ccccc1 ZINC000379635988 424908236 /nfs/dbraw/zinc/90/82/36/424908236.db2.gz WRIHBCITSSMXNP-DOTOQJQBSA-N 1 0 304.434 2.045 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1noc2ccc(Br)cc21 ZINC000333395639 424921232 /nfs/dbraw/zinc/92/12/32/424921232.db2.gz AGYREGVSKNANGX-GZMMTYOYSA-N 1 0 310.195 3.000 10 0 DEAERO CC(C)O[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000404487757 424928305 /nfs/dbraw/zinc/92/83/05/424928305.db2.gz ODNDTBIJZYEMJO-QZTJIDSGSA-N 1 0 307.434 2.454 10 0 DEAERO O[C@@H]1C[C@H]2CN(Cc3cc(Cl)ccc3Cl)CC[N@@H+]2C1 ZINC000405305719 424931734 /nfs/dbraw/zinc/93/17/34/424931734.db2.gz KPTCXOBZYKYURI-QWHCGFSZSA-N 1 0 301.217 2.244 10 0 DEAERO [NH3+]CCC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OCc1ccccc1 ZINC000409432946 424935011 /nfs/dbraw/zinc/93/50/11/424935011.db2.gz QKZFINQHBNLNCS-FKEKPDDDSA-N 1 0 304.390 2.030 10 0 DEAERO CC[C@H](C(=O)NCC1([NH+]2CCCC2)CCCC1)n1cccn1 ZINC000244620028 424886456 /nfs/dbraw/zinc/88/64/56/424886456.db2.gz FKMYZPDDLXHNRO-OAHLLOKOSA-N 1 0 304.438 2.359 10 0 DEAERO Nc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)ccn1 ZINC000373899118 424888583 /nfs/dbraw/zinc/88/85/83/424888583.db2.gz UJXXXWMTTCDJLO-MRXNPFEDSA-N 1 0 316.449 2.278 10 0 DEAERO C[C@]1(C2CC2)C[N@H+](C[C@@H](O)COCc2ccccc2)CCO1 ZINC000661165768 425341203 /nfs/dbraw/zinc/34/12/03/425341203.db2.gz BYJLXGNBTJCMDE-QZTJIDSGSA-N 1 0 305.418 2.065 10 0 DEAERO COc1ccc(O[C@@H](C)C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000029094699 267363678 /nfs/dbraw/zinc/36/36/78/267363678.db2.gz FPMDWIHGMKTYNY-ZDUSSCGKSA-N 1 0 318.417 2.206 10 0 DEAERO Cc1cc(Br)ccc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657697578 425387080 /nfs/dbraw/zinc/38/70/80/425387080.db2.gz QDGSLOMPOBBYNV-LLVKDONJSA-N 1 0 311.223 2.325 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2cscn2)C1 ZINC000125703843 267427943 /nfs/dbraw/zinc/42/79/43/267427943.db2.gz RTVLJCQAWJESAP-CYBMUJFWSA-N 1 0 310.467 2.310 10 0 DEAERO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000162278333 267457175 /nfs/dbraw/zinc/45/71/75/267457175.db2.gz DMEKMGXYTBLISE-ACJLOTCBSA-N 1 0 320.433 2.156 10 0 DEAERO CN(C(=O)COc1ccccc1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000662976712 425770264 /nfs/dbraw/zinc/77/02/64/425770264.db2.gz PTHLMJBVKNGCQL-SNVBAGLBSA-N 1 0 310.703 2.067 10 0 DEAERO Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000194714520 268555890 /nfs/dbraw/zinc/55/58/90/268555890.db2.gz CTNJJBPJQPHDJE-AWEZNQCLSA-N 1 0 315.421 2.145 10 0 DEAERO Cc1nc(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)sc1C ZINC000333164602 268895368 /nfs/dbraw/zinc/89/53/68/268895368.db2.gz HBYFOUTYQQPSKK-UHFFFAOYSA-N 1 0 308.451 2.045 10 0 DEAERO COc1cc(C)cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000333345671 268929842 /nfs/dbraw/zinc/92/98/42/268929842.db2.gz QNHXONCBLBRWFW-KGLIPLIRSA-N 1 0 303.406 2.385 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H](c2ccsc2)O1 ZINC000333861848 268998001 /nfs/dbraw/zinc/99/80/01/268998001.db2.gz SGTQKLZZYSBZGV-YUELXQCFSA-N 1 0 323.462 2.362 10 0 DEAERO C[C@@H]1COc2ccccc2CN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333860941 268998022 /nfs/dbraw/zinc/99/80/22/268998022.db2.gz SBHHHIBCAVYCHM-UKRRQHHQSA-N 1 0 303.406 2.121 10 0 DEAERO CC[C@@H]1C[C@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397610834 269106865 /nfs/dbraw/zinc/10/68/65/269106865.db2.gz ZMSQRMLZRKPTSL-IAGOWNOFSA-N 1 0 316.445 2.176 10 0 DEAERO C[C@H](OCc1ccccc1)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000404559885 269113119 /nfs/dbraw/zinc/11/31/19/269113119.db2.gz WQTSBMXHMIZVGZ-JKQORVJESA-N 1 0 304.434 2.424 10 0 DEAERO Cn1ncc2c1ncnc2NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000516601974 269365093 /nfs/dbraw/zinc/36/50/93/269365093.db2.gz SZXOJDFHNSHYNT-UHFFFAOYSA-N 1 0 314.437 2.453 10 0 DEAERO C[C@@H]1C[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2)C[C@H](C)O1 ZINC000517556749 269387780 /nfs/dbraw/zinc/38/77/80/269387780.db2.gz UCYSTIJXDKTQET-MVJTYMMSSA-N 1 0 307.434 2.357 10 0 DEAERO O=C(NCCc1cnccn1)c1cccc(C[NH+]2CCCC2)c1 ZINC000525942101 269496213 /nfs/dbraw/zinc/49/62/13/269496213.db2.gz LTYNYUOEPVQIRM-UHFFFAOYSA-N 1 0 310.401 2.045 10 0 DEAERO CC(=O)N[C@@H](C)C1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000262038182 273492762 /nfs/dbraw/zinc/49/27/62/273492762.db2.gz XXYDDVDAQCAWIS-ZDUSSCGKSA-N 1 0 301.434 2.391 10 0 DEAERO COc1cc(F)cc2sc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)nc21 ZINC000188524220 274095735 /nfs/dbraw/zinc/09/57/35/274095735.db2.gz ZXJYVLYIYHKHDN-JGVFFNPUSA-N 1 0 313.329 2.083 10 0 DEAERO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000182677484 274229247 /nfs/dbraw/zinc/22/92/47/274229247.db2.gz UPDPIUOCTNXYBZ-DOTOQJQBSA-N 1 0 324.490 2.064 10 0 DEAERO C[C@@H]1CN(Cc2ccccc2C(F)(F)F)CC[N@@H+]1CCO ZINC000187717329 274356187 /nfs/dbraw/zinc/35/61/87/274356187.db2.gz YOFIOYORHPJSNL-GFCCVEGCSA-N 1 0 302.340 2.204 10 0 DEAERO Cn1ccnc1CC1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000182759700 274897005 /nfs/dbraw/zinc/89/70/05/274897005.db2.gz RQXSSAYCWARGQP-MJGOQNOKSA-N 1 0 311.429 2.333 10 0 DEAERO O=C1NCCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000221798959 275022944 /nfs/dbraw/zinc/02/29/44/275022944.db2.gz JPXMLTJMHFNHMK-OLZOCXBDSA-N 1 0 309.207 2.305 10 0 DEAERO CC1(C)OCc2cc(C[NH2+][C@@H]3CCc4ncnn4C3)ccc2O1 ZINC000187295737 275882648 /nfs/dbraw/zinc/88/26/48/275882648.db2.gz TYBPDYHFPOKDCI-CQSZACIVSA-N 1 0 314.389 2.028 10 0 DEAERO CC[NH+](CC)CCCN1CCC[C@H]1C(=O)Nc1nccs1 ZINC000191573478 276096428 /nfs/dbraw/zinc/09/64/28/276096428.db2.gz DJOAJBGFANGODG-ZDUSSCGKSA-N 1 0 310.467 2.278 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N1CCOCC[C@@H]1C)c1ccco1 ZINC000374992466 276119012 /nfs/dbraw/zinc/11/90/12/276119012.db2.gz YMEUGONVAZYMHW-LSDHHAIUSA-N 1 0 323.437 2.483 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000458670069 276182411 /nfs/dbraw/zinc/18/24/11/276182411.db2.gz TVSJJNUHTXSTJS-DLBZAZTESA-N 1 0 303.450 2.468 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C)cc1F ZINC000175399889 276183473 /nfs/dbraw/zinc/18/34/73/276183473.db2.gz QOHFGFMHSJGZPS-ZDUSSCGKSA-N 1 0 314.426 2.239 10 0 DEAERO C[NH+](C)Cc1c[nH]c2nccc(I)c12 ZINC000095937253 276810035 /nfs/dbraw/zinc/81/00/35/276810035.db2.gz VNCCFBZINVHERW-UHFFFAOYSA-N 1 0 301.131 2.229 10 0 DEAERO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000193328402 277039398 /nfs/dbraw/zinc/03/93/98/277039398.db2.gz KTFFZUSDPGVPID-SNVBAGLBSA-N 1 0 320.817 2.160 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC000133764024 277150197 /nfs/dbraw/zinc/15/01/97/277150197.db2.gz RLRCWSVAMJANMG-ZBFHGGJFSA-N 1 0 323.481 2.460 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)[C@@H]1c1ccccc1 ZINC000248045305 277168540 /nfs/dbraw/zinc/16/85/40/277168540.db2.gz MVDGVHWKKSTESJ-WBAXXEDZSA-N 1 0 324.428 2.391 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCn3cccn3)C[C@H]12 ZINC000186001529 277203148 /nfs/dbraw/zinc/20/31/48/277203148.db2.gz QWFPVCASPOUXOD-QLFBSQMISA-N 1 0 320.437 2.118 10 0 DEAERO C[C@@H](CO)[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186217885 277590446 /nfs/dbraw/zinc/59/04/46/277590446.db2.gz RATFRSKYZVJPKV-HZMBPMFUSA-N 1 0 322.206 2.299 10 0 DEAERO CC1(C)CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC[C@@H]1[NH3+] ZINC000261802439 278318793 /nfs/dbraw/zinc/31/87/93/278318793.db2.gz IXVXUBUIKJJROV-KGLIPLIRSA-N 1 0 308.809 2.229 10 0 DEAERO C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC000361915048 278323871 /nfs/dbraw/zinc/32/38/71/278323871.db2.gz GZVZVUZOZDAWOM-ZFWWWQNUSA-N 1 0 304.438 2.429 10 0 DEAERO C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)[C@@H](C[NH3+])C1 ZINC000235639064 278369086 /nfs/dbraw/zinc/36/90/86/278369086.db2.gz OIGPCYIYEMMCBH-VHSXEESVSA-N 1 0 320.817 2.227 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCC(C)(C)CC2)C[C@H]1C ZINC000186289958 278397333 /nfs/dbraw/zinc/39/73/33/278397333.db2.gz YLUZOFSZVSRMKW-ZIAGYGMSSA-N 1 0 311.470 2.052 10 0 DEAERO CCC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)[NH+](C)C ZINC000178657112 278856555 /nfs/dbraw/zinc/85/65/55/278856555.db2.gz XIZUAXIDAKXSIX-WBMJQRKESA-N 1 0 317.433 2.479 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000151274625 279125146 /nfs/dbraw/zinc/12/51/46/279125146.db2.gz AGKHKUVDLRWLGU-OAGGEKHMSA-N 1 0 311.470 2.173 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000187856967 279175586 /nfs/dbraw/zinc/17/55/86/279175586.db2.gz SHJFJMRCSNUWQT-ZDUSSCGKSA-N 1 0 319.430 2.300 10 0 DEAERO C[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)N1CCc2ccccc2C1 ZINC000261950568 279204023 /nfs/dbraw/zinc/20/40/23/279204023.db2.gz KBBGABZAELYDTP-PBHICJAKSA-N 1 0 315.461 2.019 10 0 DEAERO Cn1c(CN2CCC[C@H]([NH+]3CCCC3)CC2)nnc1C1CC1 ZINC000172575290 279307406 /nfs/dbraw/zinc/30/74/06/279307406.db2.gz WZMRWRZITNBVMY-HNNXBMFYSA-N 1 0 303.454 2.143 10 0 DEAERO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000177219147 279319295 /nfs/dbraw/zinc/31/92/95/279319295.db2.gz BPZHAYCRTPLQDF-HZPDHXFCSA-N 1 0 314.433 2.244 10 0 DEAERO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@](C)(O)C1CCCCC1 ZINC000360122491 279380606 /nfs/dbraw/zinc/38/06/06/279380606.db2.gz DPVIEBYTRAGTQX-YOEHRIQHSA-N 1 0 313.486 2.346 10 0 DEAERO C[C@@H]1CN(Cc2nc(C3CCCC3)no2)CC[N@@H+]1CC(C)(C)O ZINC000189894966 288224243 /nfs/dbraw/zinc/22/42/43/288224243.db2.gz UMERDZSBHXDSOF-CYBMUJFWSA-N 1 0 322.453 2.004 10 0 DEAERO CC[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000246704876 280345785 /nfs/dbraw/zinc/34/57/85/280345785.db2.gz CKJLYGKWJOMYIO-DOTOQJQBSA-N 1 0 316.445 2.022 10 0 DEAERO CC[C@H]1CCC[C@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000329019503 288226445 /nfs/dbraw/zinc/22/64/45/288226445.db2.gz LIOUWOGJCZIYOU-SZOQZIPDSA-N 1 0 304.438 2.250 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(CCOC)CC1 ZINC000247671926 281197471 /nfs/dbraw/zinc/19/74/71/281197471.db2.gz ZPXRVFQVALEYCW-GJZGRUSLSA-N 1 0 309.454 2.071 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ncccc1C(F)(F)F ZINC000245628208 288313128 /nfs/dbraw/zinc/31/31/28/288313128.db2.gz UIMRMDIAFKPLPS-MNOVXSKESA-N 1 0 313.323 2.409 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCc2ccccc2C1 ZINC000261649076 281461262 /nfs/dbraw/zinc/46/12/62/281461262.db2.gz FOKYJRXTZMWYGT-GPMSIDNRSA-N 1 0 314.429 2.104 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)CCc2nccs2)CC1 ZINC000129658835 281917468 /nfs/dbraw/zinc/91/74/68/281917468.db2.gz GCLXJIQJUKOMEY-UHFFFAOYSA-N 1 0 324.494 2.449 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@H](CC)[C@H]2CCCO2)CC1 ZINC000133053145 282006458 /nfs/dbraw/zinc/00/64/58/282006458.db2.gz SVWGMFPXTWKEFE-HZPDHXFCSA-N 1 0 311.470 2.365 10 0 DEAERO CC[C@H]1CN(C(=O)NCC2(C3CC3)CCC2)CC[N@@H+]1CCOC ZINC000133113368 282008200 /nfs/dbraw/zinc/00/82/00/282008200.db2.gz LSRSLFPEJASVAX-INIZCTEOSA-N 1 0 323.481 2.319 10 0 DEAERO C[C@H](Oc1cccnc1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000117657749 290187403 /nfs/dbraw/zinc/18/74/03/290187403.db2.gz ZJAKWAPNXCOEBL-HOTGVXAUSA-N 1 0 317.433 2.326 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000188341896 293662774 /nfs/dbraw/zinc/66/27/74/293662774.db2.gz RNBXCMYZZDSSBA-QWHCGFSZSA-N 1 0 300.410 2.166 10 0 DEAERO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H](C)OC)CC[N@@H+]2C2CC2)c1 ZINC000183258424 295321342 /nfs/dbraw/zinc/32/13/42/295321342.db2.gz SARMJUCZPBKZJV-CSMYWGQOSA-N 1 0 318.417 2.124 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000262854514 297107043 /nfs/dbraw/zinc/10/70/43/297107043.db2.gz SSJCOGUNCWFBBO-MXASKKJJSA-N 1 0 302.418 2.269 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000262927126 300324490 /nfs/dbraw/zinc/32/44/90/300324490.db2.gz ZVIBNTLUHLZKCB-AAEUAGOBSA-N 1 0 304.438 2.243 10 0 DEAERO Cc1c([C@H]2[C@H](C[NH2+][C@H](C)C3CCCC3)CC(=O)N2C)cnn1C ZINC000329989507 301012049 /nfs/dbraw/zinc/01/20/49/301012049.db2.gz IBPFQSARRMCSBV-HNJNHCNJSA-N 1 0 318.465 2.416 10 0 DEAERO Cc1ccc([C@H]2OCCC[C@H]2C(=O)N2CCC[NH2+]CC2)cc1 ZINC000262484159 301842563 /nfs/dbraw/zinc/84/25/63/301842563.db2.gz WGIJBHIWRUQAID-IAGOWNOFSA-N 1 0 302.418 2.285 10 0 DEAERO O[C@@H]1[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCC12CCOCC2 ZINC000328749327 304838877 /nfs/dbraw/zinc/83/88/77/304838877.db2.gz MIHAUMJRTXXYDP-MZBWOGCUSA-N 1 0 321.461 2.101 10 0 DEAERO CC1(C)COCCN1CCNC(=O)c1coc(C2CCCC2)n1 ZINC000575074883 326216376 /nfs/dbraw/zinc/21/63/76/326216376.db2.gz MURUOQYJBNKBHG-UHFFFAOYSA-N 1 0 321.421 2.173 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]CCc2ccc(C)nc2)C12CCOCC2 ZINC000186333074 332921803 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/nfs/dbraw/zinc/44/49/89/638444989.db2.gz ALBCPWROCXNXLS-WDEREUQCSA-N 1 0 316.170 2.454 10 0 DEAERO COC(=O)/C(C)=C/C[NH2+]C1(c2ccc(OC)cc2)CCOCC1 ZINC000748817955 638595577 /nfs/dbraw/zinc/59/55/77/638595577.db2.gz PZTBAQVFEUYBGD-RIYZIHGNSA-N 1 0 319.401 2.410 10 0 DEAERO CN(CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cn1 ZINC000749455265 638650582 /nfs/dbraw/zinc/65/05/82/638650582.db2.gz VCOHMLPHUXMFGD-KGLIPLIRSA-N 1 0 324.856 2.160 10 0 DEAERO CCN1CCN(C(=O)c2sc3c(c2OC)CCCC3)CC1 ZINC000223463092 638679298 /nfs/dbraw/zinc/67/92/98/638679298.db2.gz DLJWYKLCQQHKTB-UHFFFAOYSA-N 1 0 308.447 2.413 10 0 DEAERO COC(=O)c1ccc2c(cnn2C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1 ZINC000752803321 639221801 /nfs/dbraw/zinc/22/18/01/639221801.db2.gz IMSYUEJFKFMBHF-IUODEOHRSA-N 1 0 317.389 2.016 10 0 DEAERO CCn1cc([C@@H]2[NH2+]C[C@]23CCN(C(=O)OC(C)(C)C)C3)cn1 ZINC000536957648 641317006 /nfs/dbraw/zinc/31/70/06/641317006.db2.gz CQDICSAWUQDISA-BBRMVZONSA-N 1 0 306.410 2.175 10 0 DEAERO CC(C)c1ccc([C@H](C)NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)cc1 ZINC000899963290 642221467 /nfs/dbraw/zinc/22/14/67/642221467.db2.gz DLQNEPBKIXJLJL-OWQGQXMQSA-N 1 0 304.434 2.442 10 0 DEAERO CC(C)(C(=O)OCc1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000805612763 642418696 /nfs/dbraw/zinc/41/86/96/642418696.db2.gz ZJLHEYQTBYYTLO-UHFFFAOYSA-N 1 0 305.374 2.375 10 0 DEAERO C[Si](C)(C)c1ccc(C[NH2+][C@H](CO)C2CCOCC2)cc1 ZINC000801940306 645466508 /nfs/dbraw/zinc/46/65/08/645466508.db2.gz ZOOXIMWTWAAYJS-QGZVFWFLSA-N 1 0 307.510 2.109 10 0 DEAERO CCN1CC(=O)N(C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000804191758 645737931 /nfs/dbraw/zinc/73/79/31/645737931.db2.gz HFZWDFXFYKGKIF-GOSISDBHSA-N 1 0 315.417 2.183 10 0 DEAERO C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CCCC12OCCO2 ZINC000806441207 645830879 /nfs/dbraw/zinc/83/08/79/645830879.db2.gz MERMEBMOXNDTHP-CQSZACIVSA-N 1 0 304.390 2.230 10 0 DEAERO CC(C)(C)OC(=O)N(C[C@H]1CCCO1)c1ccc(C[NH3+])nc1 ZINC000757134215 645929213 /nfs/dbraw/zinc/92/92/13/645929213.db2.gz LUEBGWWXPZTKJW-CQSZACIVSA-N 1 0 307.394 2.461 10 0 DEAERO CC(C)(C)OC(=O)CCc1nc([C@]2([NH3+])CCCSC2)no1 ZINC000757182458 645936921 /nfs/dbraw/zinc/93/69/21/645936921.db2.gz JFLSCMMVKMDQCK-AWEZNQCLSA-N 1 0 313.423 2.025 10 0 DEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000757183844 645937682 /nfs/dbraw/zinc/93/76/82/645937682.db2.gz HSAFTMRKQCCYPR-OLZOCXBDSA-N 1 0 305.374 2.103 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCSC(C)(C)C)C[C@H]1C ZINC000156442421 646422437 /nfs/dbraw/zinc/42/24/37/646422437.db2.gz AQUCEMPZANUOKA-ZIAGYGMSSA-N 1 0 316.511 2.212 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)O ZINC000227658701 646605131 /nfs/dbraw/zinc/60/51/31/646605131.db2.gz REXWJDJTTCBQLO-QWHCGFSZSA-N 1 0 300.443 2.383 10 0 DEAERO CCc1nn(C)cc1C[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC000227761083 646606261 /nfs/dbraw/zinc/60/62/61/646606261.db2.gz KLTGVUVOEJDQOZ-BQYQJAHWSA-N 1 0 308.426 2.153 10 0 DEAERO CC(C)N(CCc1nccs1)CN1CC(=O)N(C(C)C)C1=O ZINC000151555354 646919829 /nfs/dbraw/zinc/91/98/29/646919829.db2.gz GRCRFPRXASLYLL-UHFFFAOYSA-N 1 0 324.450 2.026 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nc(-c2ccccc2)ccc1=O ZINC000153205268 647383671 /nfs/dbraw/zinc/38/36/71/647383671.db2.gz DQXYMCOGZADVQI-NVXWUHKLSA-N 1 0 324.428 2.036 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1ncn(C(C)(C)C)c1=S ZINC000153215644 647386126 /nfs/dbraw/zinc/38/61/26/647386126.db2.gz BDVZIGWXQUIKMV-QWHCGFSZSA-N 1 0 309.483 2.295 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)C1 ZINC000170864130 648424505 /nfs/dbraw/zinc/42/45/05/648424505.db2.gz CGBNQYCYAYEJKA-GFCCVEGCSA-N 1 0 318.808 2.302 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000237937204 648446910 /nfs/dbraw/zinc/44/69/10/648446910.db2.gz ZPILOVKXQLFAOL-ZYHUDNBSSA-N 1 0 323.234 2.461 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)O[C@H](C)COC)cc2)CC1 ZINC000180051438 648451502 /nfs/dbraw/zinc/45/15/02/648451502.db2.gz RSOQWPZXQSHXGW-CQSZACIVSA-N 1 0 306.406 2.020 10 0 DEAERO CO[C@H](C)C(=O)O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181295992 648609414 /nfs/dbraw/zinc/60/94/14/648609414.db2.gz ASCFXZSCLRZPMW-DYVFJYSZSA-N 1 0 303.402 2.328 10 0 DEAERO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000071312891 649075648 /nfs/dbraw/zinc/07/56/48/649075648.db2.gz MSMBBVYGUHLGQM-PLWJUESGSA-N 1 0 314.838 2.324 10 0 DEAERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CSCCS1 ZINC000183509753 649098841 /nfs/dbraw/zinc/09/88/41/649098841.db2.gz ZTIUAMQSQDLZSR-OLZOCXBDSA-N 1 0 301.477 2.112 10 0 DEAERO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1O ZINC000184680396 649344632 /nfs/dbraw/zinc/34/46/32/649344632.db2.gz QLPIIUXKAMHEER-VHSXEESVSA-N 1 0 312.797 2.140 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(C)nc1Cl ZINC000185471984 649530029 /nfs/dbraw/zinc/53/00/29/649530029.db2.gz QDVKHCQORTWSGW-LLVKDONJSA-N 1 0 319.858 2.052 10 0 DEAERO C[C@](CO)([NH2+]C[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000038114500 683887041 /nfs/dbraw/zinc/88/70/41/683887041.db2.gz YIQPNODIINXMMA-UONOGXRCSA-N 1 0 314.223 2.425 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000379136893 685390228 /nfs/dbraw/zinc/39/02/28/685390228.db2.gz DFIQMGPRAXFRLJ-XQQFMLRXSA-N 1 0 306.410 2.363 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000379136896 685390573 /nfs/dbraw/zinc/39/05/73/685390573.db2.gz DFIQMGPRAXFRLJ-YNEHKIRRSA-N 1 0 306.410 2.363 10 0 DEAERO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000380756819 685398007 /nfs/dbraw/zinc/39/80/07/685398007.db2.gz NOHBWCNWGJAPOD-CQSZACIVSA-N 1 0 303.468 2.281 10 0 DEAERO CCc1nn(C)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000381596686 685401006 /nfs/dbraw/zinc/40/10/06/685401006.db2.gz KGEHXNYHRCNYQD-VXGBXAGGSA-N 1 0 310.442 2.374 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000381892968 685402194 /nfs/dbraw/zinc/40/21/94/685402194.db2.gz FGLRHCZPUJHCQE-RBSFLKMASA-N 1 0 311.470 2.316 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cnc(N)cn1 ZINC000382836119 685405464 /nfs/dbraw/zinc/40/54/64/685405464.db2.gz QVXOETRFOCNWJK-HNNXBMFYSA-N 1 0 311.433 2.155 10 0 DEAERO CCc1nnc(C[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)s1 ZINC000391931055 685448208 /nfs/dbraw/zinc/44/82/08/685448208.db2.gz HCFNMGQJFXSLAI-SNVBAGLBSA-N 1 0 314.455 2.351 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000392779049 685450590 /nfs/dbraw/zinc/45/05/90/685450590.db2.gz CWBGXFHTYIQKLZ-CYBMUJFWSA-N 1 0 307.394 2.276 10 0 DEAERO CC[NH2+]CCCNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000038043466 683886240 /nfs/dbraw/zinc/88/62/40/683886240.db2.gz GZUXTYRYKCNVNA-UHFFFAOYSA-N 1 0 310.341 2.392 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)[C@H](C)C[NH2+]1 ZINC000086468521 684012353 /nfs/dbraw/zinc/01/23/53/684012353.db2.gz KKXUUNSXJOKVHL-IDDPWSFUSA-N 1 0 314.838 2.323 10 0 DEAERO Cn1c(CO)nn(CN2CCCC3(CCCCC3)C2)c1=S ZINC000120477710 684096846 /nfs/dbraw/zinc/09/68/46/684096846.db2.gz UYGMBBUINTXBIO-UHFFFAOYSA-N 1 0 310.467 2.447 10 0 DEAERO CCc1oc(C(=O)N2C[C@@H](C)N(CCOC)[C@@H](C)C2)cc1C ZINC000120840049 684101620 /nfs/dbraw/zinc/10/16/20/684101620.db2.gz HWWOGSOZVQPDFP-OKILXGFUSA-N 1 0 308.422 2.332 10 0 DEAERO CCCCCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121133301 684105523 /nfs/dbraw/zinc/10/55/23/684105523.db2.gz SBSPHRSZBLHPOV-STQMWFEESA-N 1 0 324.387 2.318 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@@H]2CSCCS2)C1 ZINC000122134687 684112967 /nfs/dbraw/zinc/11/29/67/684112967.db2.gz BFXPBOPXBOMYCJ-UPJWGTAASA-N 1 0 302.509 2.070 10 0 DEAERO CCOC(C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)OCC ZINC000125536098 684146341 /nfs/dbraw/zinc/14/63/41/684146341.db2.gz CUPKKXIYHZSXBD-CYBMUJFWSA-N 1 0 304.394 2.317 10 0 DEAERO COc1ccc2c(CN3CCC([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000127837402 684166242 /nfs/dbraw/zinc/16/62/42/684166242.db2.gz VWFLPBBGNNOTTO-UHFFFAOYSA-N 1 0 316.401 2.328 10 0 DEAERO C[C@H](C(=O)Nc1cccnc1Cl)N1CCC([NH+](C)C)CC1 ZINC000127985366 684167742 /nfs/dbraw/zinc/16/77/42/684167742.db2.gz YREJQWHKNRPUSW-LLVKDONJSA-N 1 0 310.829 2.088 10 0 DEAERO [NH3+][C@@H](CNC(=O)COc1ccc(Cl)c2cccnc12)C1CC1 ZINC000137363347 684244079 /nfs/dbraw/zinc/24/40/79/684244079.db2.gz JLGVXUYENNIJHV-ZDUSSCGKSA-N 1 0 319.792 2.121 10 0 DEAERO Cn1cc([C@H]2CCN(CN3C[C@H](CC(C)(C)C)CC3=O)C2)cn1 ZINC000189135302 684373604 /nfs/dbraw/zinc/37/36/04/684373604.db2.gz ZQLFSMYCCWIYTC-GJZGRUSLSA-N 1 0 318.465 2.452 10 0 DEAERO C[C@@H](O)C[NH+]1CCN(Cc2cc3ccccc3nc2Cl)CC1 ZINC000189381147 684380458 /nfs/dbraw/zinc/38/04/58/684380458.db2.gz GHFRXMRKIPKQFG-CYBMUJFWSA-N 1 0 319.836 2.387 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000246295101 685127751 /nfs/dbraw/zinc/12/77/51/685127751.db2.gz NOLGKOZCABQVCJ-XHSDSOJGSA-N 1 0 308.397 2.273 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCS2(=O)=O)C12CCCCC2 ZINC000248061492 685154880 /nfs/dbraw/zinc/15/48/80/685154880.db2.gz YQJIPDWJFUBGGX-RBSFLKMASA-N 1 0 315.479 2.281 10 0 DEAERO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H]3CCC=CO3)cn2)C[C@@H](C)O1 ZINC000248745669 685167292 /nfs/dbraw/zinc/16/72/92/685167292.db2.gz AWRMFDXFEUSLER-BFYDXBDKSA-N 1 0 317.433 2.478 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000722600273 776547683 /nfs/dbraw/zinc/54/76/83/776547683.db2.gz KZOAYELYCPLUTN-GWCFXTLKSA-N 1 0 316.492 2.421 10 0 DEAERO CN1C[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)CC1=O ZINC000723565870 777124885 /nfs/dbraw/zinc/12/48/85/777124885.db2.gz HQLFPTQRCIKQMN-VIFPVBQESA-N 1 0 304.362 2.303 10 0 DEAERO [NH3+]CC[C@@H]1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000723707932 777165457 /nfs/dbraw/zinc/16/54/57/777165457.db2.gz XXMNIYKJEDXYHI-PGJNLMOESA-N 1 0 314.838 2.311 10 0 DEAERO CCN(CC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1CC1 ZINC000724036284 777225558 /nfs/dbraw/zinc/22/55/58/777225558.db2.gz LPBCOUIQAXEUHY-SNVBAGLBSA-N 1 0 304.303 2.009 10 0 DEAERO CN(C)C1(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CCC1 ZINC000724035799 777225637 /nfs/dbraw/zinc/22/56/37/777225637.db2.gz GFJLWHLMXREUBQ-VIFPVBQESA-N 1 0 304.303 2.009 10 0 DEAERO CO[C@@]1(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CCSC1 ZINC000724073268 777235072 /nfs/dbraw/zinc/23/50/72/777235072.db2.gz ZTECXBFOUHQBJY-DTWKUNHWSA-N 1 0 323.327 2.047 10 0 DEAERO CO[C@@]1(C)CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724110697 777243040 /nfs/dbraw/zinc/24/30/40/777243040.db2.gz ISVMYDBXWSGPSO-VHSXEESVSA-N 1 0 305.287 2.436 10 0 DEAERO C[N@H+](C[C@H]1CCCOC1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724112190 777243117 /nfs/dbraw/zinc/24/31/17/777243117.db2.gz TUADOAHNPNBFPP-NXEZZACHSA-N 1 0 305.287 2.293 10 0 DEAERO C[C@@H](O)CC(C)(C)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724113701 777244036 /nfs/dbraw/zinc/24/40/36/777244036.db2.gz GOXUELIGSUUNPG-SCZZXKLOSA-N 1 0 307.303 2.322 10 0 DEAERO C[C@H]1CC(C[NH2+]Cc2cn(C)nc2Br)C[C@H](C)O1 ZINC000724264455 777269066 /nfs/dbraw/zinc/26/90/66/777269066.db2.gz JSPUOIVUZNBPQE-UWVGGRQHSA-N 1 0 316.243 2.476 10 0 DEAERO CCOC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC000724320780 777276555 /nfs/dbraw/zinc/27/65/55/777276555.db2.gz 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DEAERO O=C(Nc1nc[nH]n1)[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000722648563 787336346 /nfs/dbraw/zinc/33/63/46/787336346.db2.gz LXXDZELTNNBDOD-YOEHRIQHSA-N 1 0 311.389 2.046 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000724103407 787349590 /nfs/dbraw/zinc/34/95/90/787349590.db2.gz PXCAXJLKPCGULK-CBBWQLFWSA-N 1 0 312.454 2.430 10 0 DEAERO CC[N@H+](C[C@@H]1CCCO1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724113165 787350131 /nfs/dbraw/zinc/35/01/31/787350131.db2.gz ZLDURXWIEFFQKA-UWVGGRQHSA-N 1 0 305.287 2.436 10 0 DEAERO Cn1cc(C[NH2+]C[C@H]2Cc3ccccc3O2)c(Br)n1 ZINC000712393674 792185240 /nfs/dbraw/zinc/18/52/40/792185240.db2.gz FQFUWEWNEPRHPB-GFCCVEGCSA-N 1 0 322.206 2.276 10 0 DEAERO Cc1nc(CC[NH2+]Cc2cn(C)nc2Br)cs1 ZINC000712393754 792185292 /nfs/dbraw/zinc/18/52/92/792185292.db2.gz GUJGZOYCBCSQHE-UHFFFAOYSA-N 1 0 315.240 2.280 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2Br)C1(C)C ZINC000712469112 792190647 /nfs/dbraw/zinc/19/06/47/792190647.db2.gz 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/nfs/dbraw/zinc/24/84/62/792248462.db2.gz PTZYQSPTWPNAKK-BDAKNGLRSA-N 1 0 302.346 2.304 10 0 DEAERO COC[C@H]1CCCC[N@H+](Cc2cn(C)nc2Br)C1 ZINC000713836241 792261000 /nfs/dbraw/zinc/26/10/00/792261000.db2.gz PYWNQBCRLUQKKZ-NSHDSACASA-N 1 0 316.243 2.431 10 0 DEAERO CC[C@@H](C)[NH+]1CCN(Cc2cn(C)nc2Br)CC1 ZINC000713826763 792261229 /nfs/dbraw/zinc/26/12/29/792261229.db2.gz RBEBTOUXTNPREA-LLVKDONJSA-N 1 0 315.259 2.099 10 0 DEAERO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000714249687 792306783 /nfs/dbraw/zinc/30/67/83/792306783.db2.gz JOSNYIOHOOFDAF-KYZUINATSA-N 1 0 313.366 2.432 10 0 DEAERO O=S1(=O)CCC[C@H]1CC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000714329163 792307805 /nfs/dbraw/zinc/30/78/05/792307805.db2.gz ZHOGBZHDQGKRAV-JCYILVPMSA-N 1 0 323.458 2.291 10 0 DEAERO Cc1nc([C@@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c(C)s1 ZINC000714334757 792308862 /nfs/dbraw/zinc/30/88/62/792308862.db2.gz KMGRKKCGCHOXJM-SKDRFNHKSA-N 1 0 302.465 2.378 10 0 DEAERO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000714470448 792322386 /nfs/dbraw/zinc/32/23/86/792322386.db2.gz MVFZOQLPZDHYNP-ZACQAIPSSA-N 1 0 318.417 2.412 10 0 DEAERO [NH3+]C1CC(CNC(=O)c2ccc(F)c(Br)c2)C1 ZINC000715107816 792382838 /nfs/dbraw/zinc/38/28/38/792382838.db2.gz LPCFSBNXGKWTPN-UHFFFAOYSA-N 1 0 301.159 2.055 10 0 DEAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H]2CCn3ccnc32)C1 ZINC000715086482 792380960 /nfs/dbraw/zinc/38/09/60/792380960.db2.gz VKKUFHXXLZDKPE-WXRRBKDZSA-N 1 0 306.410 2.221 10 0 DEAERO O=C(NCc1cc(Br)cs1)C12CC[NH+](CC1)C2 ZINC000715845215 792512513 /nfs/dbraw/zinc/51/25/13/792512513.db2.gz YJAJYZWZEQWAQS-UHFFFAOYSA-N 1 0 315.236 2.223 10 0 DEAERO C[C@H](Cc1ccccc1Cl)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716070491 792555891 /nfs/dbraw/zinc/55/58/91/792555891.db2.gz DCUPUDJGMJYAGS-QFWMXSHPSA-N 1 0 301.839 2.436 10 0 DEAERO C[C@H](C[NH2+]C1CC(S(C)(=O)=O)C1)COCc1ccccc1 ZINC000716106111 792556023 /nfs/dbraw/zinc/55/60/23/792556023.db2.gz YEOKFKSVOBTGQI-IUDNXUCKSA-N 1 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XZYSINQTXSNGRG-IZYLRLOCSA-N 1 0 300.402 2.064 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCn2cccn2)C12CCC2 ZINC000405225641 802044957 /nfs/dbraw/zinc/04/49/57/802044957.db2.gz ONPRKCSHYXXBNL-UONOGXRCSA-N 1 0 320.437 2.309 10 0 DEAERO CCOC(=O)CC(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000195110842 802511223 /nfs/dbraw/zinc/51/12/23/802511223.db2.gz NTALXWYLZUFCHB-UHFFFAOYSA-N 1 0 322.405 2.299 10 0 DEAERO CCNc1ncc(C(=O)N[C@H]2CCC[N@H+](CC)C2)cc1Cl ZINC000050777725 1078477783 /nfs/dbraw/zinc/47/77/83/1078477783.db2.gz GYBOCRAXSLTQFP-LBPRGKRZSA-N 1 0 310.829 2.381 10 0 DEAERO CS(=O)(=O)CCCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000709611041 1086683849 /nfs/dbraw/zinc/68/38/49/1086683849.db2.gz YTSIRAMPLOQATR-AWEZNQCLSA-N 1 0 303.468 2.283 10 0 DEAERO O=C(CC(F)(F)C(F)(F)F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709954503 1086685705 /nfs/dbraw/zinc/68/57/05/1086685705.db2.gz SJJVKAKCHNAXHQ-JTQLQIEISA-N 1 0 300.271 2.176 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000710956733 1086691061 /nfs/dbraw/zinc/69/10/61/1086691061.db2.gz CRMNFEOCFQDTLN-SRVKXCTJSA-N 1 0 302.415 2.029 10 0 DEAERO c1cnn(-c2ccc(C[NH2+]CCOC[C@H]3CCOC3)cc2)c1 ZINC000068992990 1079945177 /nfs/dbraw/zinc/94/51/77/1079945177.db2.gz CYMYIJMDMPIRRA-INIZCTEOSA-N 1 0 301.390 2.015 10 0 DEAERO C[C@@H](c1ccccc1Cl)[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000075697437 1080250416 /nfs/dbraw/zinc/25/04/16/1080250416.db2.gz FKMDNWSLECDQQX-AWEZNQCLSA-N 1 0 323.868 2.497 10 0 DEAERO CC[C@@H]1CCCC[C@@H]1C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000721846118 1084089863 /nfs/dbraw/zinc/08/98/63/1084089863.db2.gz VKIWSIXBUJJKES-HUUCEWRRSA-N 1 0 302.484 2.218 10 0 DEAERO CC[C@@H]([NH2+]Cc1cn(C)nc1Br)[C@H]1CCOC1 ZINC000720644358 1085807687 /nfs/dbraw/zinc/80/76/87/1085807687.db2.gz AHIJUOMQESSRFH-GXSJLCMTSA-N 1 0 302.216 2.087 10 0 DEAERO [NH3+]C[C@@H]1CN(C(=O)/C=C\c2cccs2)C[C@@H]1C(F)(F)F ZINC000720812346 1086152486 /nfs/dbraw/zinc/15/24/86/1086152486.db2.gz UBOMZTFDAGMIAN-YUPSMKLTSA-N 1 0 304.337 2.357 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1occc1Br ZINC000720829025 1086183401 /nfs/dbraw/zinc/18/34/01/1086183401.db2.gz LFENRQBYFJTQPI-MNOVXSKESA-N 1 0 313.195 2.351 10 0 DEAERO CN(CC(C)(C)[NH3+])C(=O)/C=C/c1ccc(Br)o1 ZINC000700601666 1086322469 /nfs/dbraw/zinc/32/24/69/1086322469.db2.gz GNRCAJQHBFLNHJ-FNORWQNLSA-N 1 0 301.184 2.251 10 0 DEAERO [NH3+][C@H]1CC[C@H](NC(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000700634000 1086323838 /nfs/dbraw/zinc/32/38/38/1086323838.db2.gz BGTDFZGUMPHEKZ-HEBFNURQSA-N 1 0 313.195 2.441 10 0 DEAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000701381010 1086363082 /nfs/dbraw/zinc/36/30/82/1086363082.db2.gz IRWQWVIESZRVCN-APWZRJJASA-N 1 0 318.461 2.292 10 0 DEAERO CC[C@H]1COC[C@@H]1[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701867346 1086388766 /nfs/dbraw/zinc/38/87/66/1086388766.db2.gz LMLWJYKZVNPGEV-CWVKQELPSA-N 1 0 310.438 2.401 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@@H]1CCN(C3CC3)C1)C2 ZINC000701865156 1086388866 /nfs/dbraw/zinc/38/88/66/1086388866.db2.gz PRJDWEFIIZEILB-TXKKKEFDSA-N 1 0 321.465 2.212 10 0 DEAERO C[NH2+]C[C@@H](C)NC(=O)/C=C/c1ccc(C)cc1Br ZINC000701878158 1086389638 /nfs/dbraw/zinc/38/96/38/1086389638.db2.gz SGTGFHSPOTYSCV-XUIVZRPNSA-N 1 0 311.223 2.495 10 0 DEAERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@H]1C[C@H](O)C1(C)C)C2 ZINC000701932238 1086394062 /nfs/dbraw/zinc/39/40/62/1086394062.db2.gz VUPYXGKYJCVWET-UDRCLVEDSA-N 1 0 310.438 2.135 10 0 DEAERO C[NH+](C)C[C@H](N)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000702412144 1086432230 /nfs/dbraw/zinc/43/22/30/1086432230.db2.gz ANRJJJNAMYWUSO-SFHVURJKSA-N 1 0 311.429 2.104 10 0 DEAERO C[C@@H](O)[C@@H](C)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000702598283 1086444046 /nfs/dbraw/zinc/44/40/46/1086444046.db2.gz DOCMTBXWSFUJOE-CHWSQXEVSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H](O)[C@H](C)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000702598289 1086444415 /nfs/dbraw/zinc/44/44/15/1086444415.db2.gz DOCMTBXWSFUJOE-QWHCGFSZSA-N 1 0 300.443 2.383 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000705094970 1086601473 /nfs/dbraw/zinc/60/14/73/1086601473.db2.gz GGGKVHVOUVSHTJ-FSZRXZPDSA-N 1 0 324.465 2.384 10 0 DEAERO C[C@@]12CN(C(=O)c3cn[nH]c3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000705699673 1086621034 /nfs/dbraw/zinc/62/10/34/1086621034.db2.gz ZIDRUPKHTXZEGR-RTBURBONSA-N 1 0 324.428 2.394 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707938608 1086674355 /nfs/dbraw/zinc/67/43/55/1086674355.db2.gz BRTMNYAMJSHOLA-QTVXIADOSA-N 1 0 312.454 2.381 10 0 DEAERO CCN(CCC[NH2+][C@@H]1CCC1(OC)OC)C(=O)OC(C)(C)C ZINC000710947040 1086691673 /nfs/dbraw/zinc/69/16/73/1086691673.db2.gz NHIKCOKZENECCK-CYBMUJFWSA-N 1 0 316.442 2.375 10 0 DEAERO C[C@@H](O)CC(C)(C)C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710947315 1086691724 /nfs/dbraw/zinc/69/17/24/1086691724.db2.gz QBSQRYZAWAGKAC-GFCCVEGCSA-N 1 0 300.443 2.240 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000710961472 1086692071 /nfs/dbraw/zinc/69/20/71/1086692071.db2.gz RODPVPFVPVDUJI-SJORKVTESA-N 1 0 304.434 2.392 10 0 DEAERO Cn1ccc(C[NH2+][C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 ZINC000711290434 1087046304 /nfs/dbraw/zinc/04/63/04/1087046304.db2.gz CCTPFSXHWQGMAF-GUYCJALGSA-N 1 0 320.437 2.299 10 0 DEAERO O=S(=O)(N[C@H](C1CCC1)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000711868371 1087216976 /nfs/dbraw/zinc/21/69/76/1087216976.db2.gz XCLFTONCURUSOI-GJZGRUSLSA-N 1 0 300.468 2.017 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000718557413 1088582146 /nfs/dbraw/zinc/58/21/46/1088582146.db2.gz GJJNPIBINHSSRK-UHFFFAOYSA-N 1 0 315.186 2.332 10 0 DEAERO Cc1nc(CN2C[C@@H](C)[NH2+][C@H](C)C2)sc1Br ZINC000719241428 1088912400 /nfs/dbraw/zinc/91/24/00/1088912400.db2.gz RIWIADRLYFRNCL-HTQZYQBOSA-N 1 0 304.257 2.396 10 0 DEAERO Cc1nc(C[NH2+]CC[C@H](O)C(F)F)sc1Br ZINC000719285752 1088927043 /nfs/dbraw/zinc/92/70/43/1088927043.db2.gz CSHKJCZVWXQCNQ-LURJTMIESA-N 1 0 315.183 2.320 10 0 DEAERO Cc1ccc(C[NH2+][C@]2(CO)CCOC2)c(C)c1Br ZINC000719552306 1089289387 /nfs/dbraw/zinc/28/93/87/1089289387.db2.gz DPROLHBVCDIDLB-AWEZNQCLSA-N 1 0 314.223 2.307 10 0 DEAERO COC(C)(C)[C@@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000720237904 1089538835 /nfs/dbraw/zinc/53/88/35/1089538835.db2.gz XENHKWCHIXRFRW-YPMHNXCESA-N 1 0 301.814 2.483 10 0 DEAERO c1c(Cc2nc([C@H]3C[NH+]4CCC3CC4)no2)nc2n1CCCC2 ZINC000351428447 1138277094 /nfs/dbraw/zinc/27/70/94/1138277094.db2.gz SDVAGSTWJSNQHV-AWEZNQCLSA-N 1 0 313.405 2.002 10 0 DEAERO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1cnn(C)c1 ZINC000724024387 1143896323 /nfs/dbraw/zinc/89/63/23/1143896323.db2.gz PYIHBYINKRSOMZ-APPZFPTMSA-N 1 0 301.259 2.019 10 0 DEAERO CCc1ccc([C@H](CSCCS(C)(=O)=O)[NH2+]C)cc1 ZINC000081769004 192323139 /nfs/dbraw/zinc/32/31/39/192323139.db2.gz VXZXDIJQOPYJIG-AWEZNQCLSA-N 1 0 301.477 2.287 10 0 DEAERO C[C@H](C(N)=S)[NH+]1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000162186973 197551226 /nfs/dbraw/zinc/55/12/26/197551226.db2.gz PFPJSLBJEPNKOP-SNVBAGLBSA-N 1 0 315.845 2.271 10 0 DEAERO Nc1ccnc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000076894799 185050418 /nfs/dbraw/zinc/05/04/18/185050418.db2.gz AOPAEXQOJQSLAP-UHFFFAOYSA-N 1 0 310.401 2.058 10 0 DEAERO Cc1ccc(OC[C@H](O)C[N@H+](C)CCC(=O)OC(C)(C)C)cc1 ZINC000150871232 282107136 /nfs/dbraw/zinc/10/71/36/282107136.db2.gz SFCVEYIPTNBHGP-OAHLLOKOSA-N 1 0 323.433 2.398 10 0 DEAERO CCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1Sc1nnnn1C ZINC000081843302 192330528 /nfs/dbraw/zinc/33/05/28/192330528.db2.gz OBZVEEWCEKSJQO-UONOGXRCSA-N 1 0 303.435 2.358 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2CCC[C@@H]1Sc1nnnn1C ZINC000081845650 192332154 /nfs/dbraw/zinc/33/21/54/192332154.db2.gz HACXHFBYJBHYGX-KBPBESRZSA-N 1 0 303.435 2.358 10 0 DEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1Sc1ncccn1)OCCO2 ZINC000081871400 192333398 /nfs/dbraw/zinc/33/33/98/192333398.db2.gz OAMNSCFPVOFWHM-CHWSQXEVSA-N 1 0 309.435 2.233 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1Sc1nnnn1C1CC1 ZINC000081867478 192333481 /nfs/dbraw/zinc/33/34/81/192333481.db2.gz LTVWNGOHKDGIMG-ZIAGYGMSSA-N 1 0 301.419 2.376 10 0 DEAERO C[NH2+][C@H](c1ccccc1)[C@H](C)Sc1n[nH]c(=O)n1C1CC1 ZINC000081880304 192333857 /nfs/dbraw/zinc/33/38/57/192333857.db2.gz CPUFKNDDIDYJPJ-GWCFXTLKSA-N 1 0 304.419 2.348 10 0 DEAERO CCn1c(S[C@@H](C(C)C)[C@@H]([NH3+])c2ccccc2)n[nH]c1=O ZINC000081882117 192333906 /nfs/dbraw/zinc/33/39/06/192333906.db2.gz BZPZUWDLWJQUCE-STQMWFEESA-N 1 0 306.435 2.408 10 0 DEAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1Sc1n[nH]c(C)n1 ZINC000081890548 192334259 /nfs/dbraw/zinc/33/42/59/192334259.db2.gz XCVGNEDKEDYDIA-KGLIPLIRSA-N 1 0 304.419 2.489 10 0 DEAERO CC[NH2+][C@H](CSc1n[nH]c(=O)n1CC)c1ccccc1C ZINC000081879914 192334695 /nfs/dbraw/zinc/33/46/95/192334695.db2.gz TVKQMFSPYQSQKO-CYBMUJFWSA-N 1 0 306.435 2.343 10 0 DEAERO Cc1ccc(C[C@@H](C)[N@H+](C)CC(=O)NC[C@@H]2CCCO2)cc1 ZINC000151136567 282111609 /nfs/dbraw/zinc/11/16/09/282111609.db2.gz FFXPNWFLOFMQDW-WBVHZDCISA-N 1 0 304.434 2.153 10 0 DEAERO Cc1cc(F)cc([C@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000162600346 197578381 /nfs/dbraw/zinc/57/83/81/197578381.db2.gz YWGMYWIITUMABF-SWLSCSKDSA-N 1 0 314.426 2.196 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000081921130 192338499 /nfs/dbraw/zinc/33/84/99/192338499.db2.gz NEVQKDNHJWMQBW-HZPDHXFCSA-N 1 0 305.374 2.485 10 0 DEAERO COC(=O)C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1cccs1 ZINC000612423276 361822224 /nfs/dbraw/zinc/82/22/24/361822224.db2.gz AQZHRPMZYSJPFP-CYBMUJFWSA-N 1 0 324.446 2.200 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)CC)c1cc(OC)ccc1OC ZINC000081926295 192339700 /nfs/dbraw/zinc/33/97/00/192339700.db2.gz MBRXEYVRKJFORG-CQSZACIVSA-N 1 0 315.435 2.179 10 0 DEAERO COCCn1ncc(Br)c1[C@H]1CCCC[C@H]1[NH3+] ZINC000162880943 197598687 /nfs/dbraw/zinc/59/86/87/197598687.db2.gz NRUKRPGQVSMLOY-GXSJLCMTSA-N 1 0 302.216 2.277 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCc3sccc32)CCO1 ZINC000136621837 282124047 /nfs/dbraw/zinc/12/40/47/282124047.db2.gz HBUFQKFJUOQOCD-TZMCWYRMSA-N 1 0 323.462 2.098 10 0 DEAERO CC(C)N(CC[NH+](C)C)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000151928553 282130230 /nfs/dbraw/zinc/13/02/30/282130230.db2.gz ORKRLSFSBONZFL-UHFFFAOYSA-N 1 0 320.433 2.189 10 0 DEAERO C[NH2+][C@H](C)[C@@H](C)S(=O)(=O)c1ccc(Br)cc1 ZINC000081933454 192341625 /nfs/dbraw/zinc/34/16/25/192341625.db2.gz QMWDEENYHGCFGF-RKDXNWHRSA-N 1 0 306.225 2.219 10 0 DEAERO CC[C@H](CS(=O)(=O)c1ccccc1Br)[NH2+]C ZINC000081932034 192341981 /nfs/dbraw/zinc/34/19/81/192341981.db2.gz BUDQRBFWGVTNBU-SECBINFHSA-N 1 0 306.225 2.221 10 0 DEAERO COc1cccc([C@@H]2CN(C(C)C)C(=O)C23CC[NH2+]CC3)c1 ZINC000079026801 185147302 /nfs/dbraw/zinc/14/73/02/185147302.db2.gz QEGFGJSYMPECJB-INIZCTEOSA-N 1 0 302.418 2.399 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152885002 282156699 /nfs/dbraw/zinc/15/66/99/282156699.db2.gz QDLGMTODPDKFQL-MRXNPFEDSA-N 1 0 315.417 2.230 10 0 DEAERO C[C@@H](CC[NH3+])CCC(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000079190545 185161302 /nfs/dbraw/zinc/16/13/02/185161302.db2.gz VIUDBWUOZHMMPY-SNVBAGLBSA-N 1 0 307.419 2.434 10 0 DEAERO NC(=O)[C@@](CSc1ncccc1Cl)([NH2+]C1CC1)C1CC1 ZINC000079448605 185172337 /nfs/dbraw/zinc/17/23/37/185172337.db2.gz FFTJBWHKFZIBKY-AWEZNQCLSA-N 1 0 311.838 2.213 10 0 DEAERO CN(Cc1ccc(Cl)nc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079457645 185172425 /nfs/dbraw/zinc/17/24/25/185172425.db2.gz ZFIHTYPDZRHCDE-ZDUSSCGKSA-N 1 0 322.840 2.361 10 0 DEAERO C[C@]1(C(=O)NCc2cc(F)ccc2Br)CCC[NH2+]1 ZINC000079518661 185173776 /nfs/dbraw/zinc/17/37/76/185173776.db2.gz QVLVZTXHIMZNBD-CYBMUJFWSA-N 1 0 315.186 2.347 10 0 DEAERO C[C@]1(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CCC[NH2+]1 ZINC000079518134 185173795 /nfs/dbraw/zinc/17/37/95/185173795.db2.gz PNYPDNJPDJZHRM-GDBMZVCRSA-N 1 0 308.809 2.382 10 0 DEAERO CCCCS(=O)(=O)[C@H]1CCc2cc(OC)ccc2[C@@H]1[NH2+]C ZINC000081973211 192347170 /nfs/dbraw/zinc/34/71/70/192347170.db2.gz GBBVALLBLOVAAD-HOTGVXAUSA-N 1 0 311.447 2.485 10 0 DEAERO CCN(CCCO)c1nc2sccn2c1C[NH2+]CC(C)C ZINC000165267618 197672755 /nfs/dbraw/zinc/67/27/55/197672755.db2.gz DUANUNQCFPNKOW-UHFFFAOYSA-N 1 0 310.467 2.350 10 0 DEAERO [NH3+][C@@H]1CC[C@H](S(=O)(=O)c2cccc(Br)c2)C1 ZINC000082820126 185208448 /nfs/dbraw/zinc/20/84/48/185208448.db2.gz LKTXRUPIHSFZCZ-KOLCDFICSA-N 1 0 304.209 2.103 10 0 DEAERO CN(C(=O)c1coc(Br)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153715164 282173446 /nfs/dbraw/zinc/17/34/46/282173446.db2.gz MHIXWKZXLAWDDI-SNVBAGLBSA-N 1 0 301.184 2.208 10 0 DEAERO C[C@H](C[C@](C)([NH3+])CO)Sc1ncccc1Br ZINC000082905356 185209471 /nfs/dbraw/zinc/20/94/71/185209471.db2.gz GNFGBAFAEJVSHX-KCJUWKMLSA-N 1 0 305.241 2.425 10 0 DEAERO CC[NH2+][C@](C)(CO)CSc1ncccc1Br ZINC000082905376 185209550 /nfs/dbraw/zinc/20/95/50/185209550.db2.gz JDGYWYHKYZUKHN-LLVKDONJSA-N 1 0 305.241 2.297 10 0 DEAERO C[C@@H](C[C@](C)(O)C[NH3+])Sc1ccc(Br)cn1 ZINC000082917617 185209557 /nfs/dbraw/zinc/20/95/57/185209557.db2.gz MAPKBHADJRNXOR-KWQFWETISA-N 1 0 305.241 2.425 10 0 DEAERO C[C@@H](C[C@@](C)(O)C[NH3+])Sc1ccc(Br)cn1 ZINC000082917619 185209642 /nfs/dbraw/zinc/20/96/42/185209642.db2.gz MAPKBHADJRNXOR-GZMMTYOYSA-N 1 0 305.241 2.425 10 0 DEAERO [NH3+][C@](CO)(CSc1ccc(Br)cn1)C1CC1 ZINC000082905386 185209647 /nfs/dbraw/zinc/20/96/47/185209647.db2.gz AXVJLYNSZNTVJU-LLVKDONJSA-N 1 0 303.225 2.036 10 0 DEAERO COc1cccc(Cl)c1CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000153499892 282172062 /nfs/dbraw/zinc/17/20/62/282172062.db2.gz WNSQUKKOEGNXNF-GFCCVEGCSA-N 1 0 310.825 2.349 10 0 DEAERO C[NH2+][C@@H](c1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000082998700 185210758 /nfs/dbraw/zinc/21/07/58/185210758.db2.gz UUDBVQDGSACLHK-GMSGAONNSA-N 1 0 324.265 2.206 10 0 DEAERO C[C@H]1CN(c2cccc(I)c2)CCC[NH2+]1 ZINC000083092330 185213119 /nfs/dbraw/zinc/21/31/19/185213119.db2.gz GTNBQTMNERJDCA-JTQLQIEISA-N 1 0 316.186 2.479 10 0 DEAERO C[C@H]1CN(c2ccccc2I)CCC[NH2+]1 ZINC000083092336 185213135 /nfs/dbraw/zinc/21/31/35/185213135.db2.gz QINSDXAVPIXXIE-JTQLQIEISA-N 1 0 316.186 2.479 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000072525953 282183957 /nfs/dbraw/zinc/18/39/57/282183957.db2.gz VPJGTZBWWXDDIC-OAGGEKHMSA-N 1 0 319.453 2.102 10 0 DEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000087403997 185223749 /nfs/dbraw/zinc/22/37/49/185223749.db2.gz NQRPLHYJZYZGGI-LURJTMIESA-N 1 0 317.263 2.461 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000087455551 185225735 /nfs/dbraw/zinc/22/57/35/185225735.db2.gz BCVNZGCJVQYMMU-GHMZBOCLSA-N 1 0 308.451 2.192 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000087519954 185227613 /nfs/dbraw/zinc/22/76/13/185227613.db2.gz LWZBLHVMCPXYNL-JTQLQIEISA-N 1 0 307.785 2.234 10 0 DEAERO C[C@]1(C(=O)NCc2sccc2Br)CCC[NH2+]1 ZINC000087575688 185228575 /nfs/dbraw/zinc/22/85/75/185228575.db2.gz JLINSUZCQHOEGL-LLVKDONJSA-N 1 0 303.225 2.269 10 0 DEAERO COCC[NH2+]C[C@@H]1CCCCN1c1nc(C(C)(C)C)ns1 ZINC000087643847 185229693 /nfs/dbraw/zinc/22/96/93/185229693.db2.gz PJRQRIFMFPOERY-LBPRGKRZSA-N 1 0 312.483 2.431 10 0 DEAERO CCOC(=O)CN(CC(C)C)C(=O)CCC(C)(C)CC[NH3+] ZINC000087696153 185230686 /nfs/dbraw/zinc/23/06/86/185230686.db2.gz ZTZAIIQSGMLHRR-UHFFFAOYSA-N 1 0 300.443 2.189 10 0 DEAERO CCOC(=O)CN(CC(C)C)C(=O)[C@@H](C)CCC[C@H](C)[NH3+] ZINC000087696161 185230755 /nfs/dbraw/zinc/23/07/55/185230755.db2.gz WMFBJULZSXDQJX-KBPBESRZSA-N 1 0 300.443 2.188 10 0 DEAERO CC(C)[C@H]1CCCN1c1nc(NN)[nH+]cc1Br ZINC000087889872 185234675 /nfs/dbraw/zinc/23/46/75/185234675.db2.gz CVZWSKGIBFXXRO-SECBINFHSA-N 1 0 300.204 2.150 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000173999247 282192223 /nfs/dbraw/zinc/19/22/23/282192223.db2.gz MWZOKDYKCCHBGS-GVDBMIGSSA-N 1 0 324.513 2.231 10 0 DEAERO [NH3+]C[C@H](NC[C@H]1CCCO1)c1cc(Br)ccc1F ZINC000087928557 185237663 /nfs/dbraw/zinc/23/76/63/185237663.db2.gz UVPYHUGRURNESN-MFKMUULPSA-N 1 0 317.202 2.357 10 0 DEAERO CC[NH2+]C[C@H](C)[C@H](C)n1cc(I)cn1 ZINC000087949621 185237667 /nfs/dbraw/zinc/23/76/67/185237667.db2.gz FCWHEJMXBBAYPJ-IUCAKERBSA-N 1 0 307.179 2.294 10 0 DEAERO CCC[NH2+]C[C@H]1CC[C@H]1n1cc(I)cn1 ZINC000087923950 185237698 /nfs/dbraw/zinc/23/76/98/185237698.db2.gz POGFUPAAPIUGME-MWLCHTKSSA-N 1 0 319.190 2.438 10 0 DEAERO C[C@@H](C[NH3+])CC(=O)Nc1cccc(I)c1 ZINC000087983147 185238124 /nfs/dbraw/zinc/23/81/24/185238124.db2.gz CBDODJXXJBDZHX-MRVPVSSYSA-N 1 0 318.158 2.215 10 0 DEAERO COc1ccc(C[C@@H]([NH3+])[C@H]2CCOC2)cc1Br ZINC000087804445 185232553 /nfs/dbraw/zinc/23/25/53/185232553.db2.gz OYOZEEHMGKHSBB-CMPLNLGQSA-N 1 0 300.196 2.364 10 0 DEAERO CN(C(=O)c1ccc2nc(N)sc2c1)[C@@H]1CCC[N@H+](C)C1 ZINC000087847631 185233255 /nfs/dbraw/zinc/23/32/55/185233255.db2.gz PIBBJUULWZKQDL-LLVKDONJSA-N 1 0 304.419 2.045 10 0 DEAERO C[NH2+][C@@H](c1cc(Cl)cnc1N)[C@@H]1COc2ccccc2O1 ZINC000087859521 185233806 /nfs/dbraw/zinc/23/38/06/185233806.db2.gz HSFAEDOILDYFRR-KBPBESRZSA-N 1 0 305.765 2.418 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCCNC(=O)C1 ZINC000087883138 185234405 /nfs/dbraw/zinc/23/44/05/185234405.db2.gz XJHNHKNRUCPDPZ-ZANVPECISA-N 1 0 301.843 2.002 10 0 DEAERO [NH3+][C@@H]1CCCc2c(OCC(=O)NCC(F)(F)F)cccc21 ZINC000088150809 185240587 /nfs/dbraw/zinc/24/05/87/185240587.db2.gz HHBAUXDCBFXAKH-LLVKDONJSA-N 1 0 302.296 2.080 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1COc1ncc(Br)cc1CO ZINC000088165950 185240957 /nfs/dbraw/zinc/24/09/57/185240957.db2.gz BVAHNZSMEGRGIB-GFCCVEGCSA-N 1 0 315.211 2.200 10 0 DEAERO COC(=O)c1sc(OC[C@@H]2CCCC[N@@H+]2C)nc1Cl ZINC000088165560 185241002 /nfs/dbraw/zinc/24/10/02/185241002.db2.gz FAAPORMNDRVDQQ-QMMMGPOBSA-N 1 0 304.799 2.446 10 0 DEAERO C[NH2+][C@@H]1CCN(c2c3nsnc3c(Cl)cc2Cl)C1=O ZINC000088120661 185240008 /nfs/dbraw/zinc/24/00/08/185240008.db2.gz YHYQWJQQHLRPTK-SSDOTTSWSA-N 1 0 317.201 2.323 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000088416849 185249104 /nfs/dbraw/zinc/24/91/04/185249104.db2.gz SSVZQEXDJKGOBB-AVGNSLFASA-N 1 0 304.360 2.473 10 0 DEAERO C[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC000088435389 185250466 /nfs/dbraw/zinc/25/04/66/185250466.db2.gz NGCZHSXXQGPRKT-AAEUAGOBSA-N 1 0 310.360 2.494 10 0 DEAERO C[C@H]1CCCCC[C@@H]1NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000088516013 185254628 /nfs/dbraw/zinc/25/46/28/185254628.db2.gz DJKKRIPAYXBIJQ-ZFWWWQNUSA-N 1 0 302.484 2.264 10 0 DEAERO C[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000088516392 185254715 /nfs/dbraw/zinc/25/47/15/185254715.db2.gz PDIVOCVKXYYPOL-ZYHUDNBSSA-N 1 0 302.465 2.454 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)o1 ZINC000088543558 185256585 /nfs/dbraw/zinc/25/65/85/185256585.db2.gz HBIXLSOWYUEGBL-NSHDSACASA-N 1 0 306.387 2.139 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@@H]32)o1 ZINC000088543964 185256712 /nfs/dbraw/zinc/25/67/12/185256712.db2.gz LVUKGPMTRLILKV-JSGCOSHPSA-N 1 0 312.435 2.342 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)Cc1ccccc1C ZINC000081984807 192349022 /nfs/dbraw/zinc/34/90/22/192349022.db2.gz ADBNXIQZGXONDS-HOTGVXAUSA-N 1 0 311.447 2.067 10 0 DEAERO CC(C)Cn1ncnc1COc1ccc(C(N)=[NH2+])cc1Cl ZINC000088594715 185258661 /nfs/dbraw/zinc/25/86/61/185258661.db2.gz DZAMGQJQUFCEQA-UHFFFAOYSA-N 1 0 307.785 2.451 10 0 DEAERO CC[NH2+]Cc1ncnn1Cc1cc(F)ccc1Br ZINC000088628787 185260527 /nfs/dbraw/zinc/26/05/27/185260527.db2.gz OLTGJQUYPRAHNB-UHFFFAOYSA-N 1 0 313.174 2.338 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2sc3ccc(F)cc3c2N)C1 ZINC000088643364 185261320 /nfs/dbraw/zinc/26/13/20/185261320.db2.gz IEIWVRKVLOVGMI-SNVBAGLBSA-N 1 0 307.394 2.399 10 0 DEAERO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000088775848 185265305 /nfs/dbraw/zinc/26/53/05/185265305.db2.gz GCDCZHDHSLJDKW-CPCISQLKSA-N 1 0 301.173 2.401 10 0 DEAERO COCC[NH2+]CCCc1nnc(COc2ccccc2)s1 ZINC000088813235 185266324 /nfs/dbraw/zinc/26/63/24/185266324.db2.gz UBGWCVNSDSYHLS-UHFFFAOYSA-N 1 0 307.419 2.286 10 0 DEAERO CC[C@H]([NH2+]C)c1nnc(-c2ccc(S(C)(=O)=O)cc2)s1 ZINC000088824637 185266724 /nfs/dbraw/zinc/26/67/24/185266724.db2.gz RCQKVMKARASKLP-NSHDSACASA-N 1 0 311.432 2.279 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)Cc1cccc(C)c1 ZINC000081984210 192349324 /nfs/dbraw/zinc/34/93/24/192349324.db2.gz KQIAAIGUNMCLRT-HZPDHXFCSA-N 1 0 311.447 2.067 10 0 DEAERO CC[C@H]([NH3+])[C@@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000081982630 192349455 /nfs/dbraw/zinc/34/94/55/192349455.db2.gz HVJBLQIAEUEZQY-KCJUWKMLSA-N 1 0 306.225 2.349 10 0 DEAERO CCC[C@H]1CC[C@@H]([NH2+]CC)[C@H](S(=O)(=O)CCCOC)C1 ZINC000081985376 192349524 /nfs/dbraw/zinc/34/95/24/192349524.db2.gz HQMNIYSITPOTQM-RRFJBIMHSA-N 1 0 305.484 2.385 10 0 DEAERO Cc1ccccc1S(=O)(=O)N1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000088716328 185263210 /nfs/dbraw/zinc/26/32/10/185263210.db2.gz ARDYUXXKBJGZOP-HNNXBMFYSA-N 1 0 310.463 2.394 10 0 DEAERO COCCCS(=O)(=O)C[C@@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000081985434 192349755 /nfs/dbraw/zinc/34/97/55/192349755.db2.gz DQZMXFUDTGHXOI-MRXNPFEDSA-N 1 0 313.463 2.336 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1S(=O)(=O)C1CCCC1 ZINC000081988868 192350303 /nfs/dbraw/zinc/35/03/03/192350303.db2.gz NSTAIGHTQVRQGE-HZPDHXFCSA-N 1 0 309.431 2.456 10 0 DEAERO CCC[C@@H]1CC[C@H]([NH2+]C)[C@H](S(=O)(=O)C2CCOCC2)C1 ZINC000081990052 192350410 /nfs/dbraw/zinc/35/04/10/192350410.db2.gz DFQHAIBNUQRFNH-VHDGCEQUSA-N 1 0 303.468 2.137 10 0 DEAERO CN(C)c1ccnc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000179221285 282218986 /nfs/dbraw/zinc/21/89/86/282218986.db2.gz LQSAAOUYRHRDFS-AEFFLSMTSA-N 1 0 324.428 2.323 10 0 DEAERO COc1cccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1F ZINC000090110386 185282631 /nfs/dbraw/zinc/28/26/31/185282631.db2.gz GDFWESHWSXXKNM-CHWSQXEVSA-N 1 0 324.396 2.063 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1-n1cccn1 ZINC000090016379 185278424 /nfs/dbraw/zinc/27/84/24/185278424.db2.gz MHVQAAQSVPAWPQ-KGLIPLIRSA-N 1 0 319.430 2.100 10 0 DEAERO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000090226384 185287547 /nfs/dbraw/zinc/28/75/47/185287547.db2.gz GRIVLHZKXZPKQR-JKSUJKDBSA-N 1 0 300.406 2.269 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000090487507 185298835 /nfs/dbraw/zinc/29/88/35/185298835.db2.gz SCOQFQCFHDETCY-RYUDHWBXSA-N 1 0 302.296 2.268 10 0 DEAERO C[C@H](CC[NH2+][C@H]1CCCN(Cc2ccccc2)C1)[S@](C)=O ZINC000090515320 185299882 /nfs/dbraw/zinc/29/98/82/185299882.db2.gz UHJYWAAXOQPKCU-LDBYXDLTSA-N 1 0 308.491 2.398 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccccc1SC(F)F ZINC000090431541 185295790 /nfs/dbraw/zinc/29/57/90/185295790.db2.gz WDXFWDIPHDYRFZ-WPRPVWTQSA-N 1 0 302.346 2.174 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000090436283 185296168 /nfs/dbraw/zinc/29/61/68/185296168.db2.gz OKJBJMYJHIBZES-LDYMZIIASA-N 1 0 306.259 2.017 10 0 DEAERO C[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000090433443 185296263 /nfs/dbraw/zinc/29/62/63/185296263.db2.gz OELSYOSZDXZJAE-MNOVXSKESA-N 1 0 320.336 2.471 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000090434846 185296343 /nfs/dbraw/zinc/29/63/43/185296343.db2.gz UHKJUOKRHNJBBQ-AAEUAGOBSA-N 1 0 317.216 2.186 10 0 DEAERO CCS(=O)(=O)CCn1cc(C[NH3+])c2ccc(Cl)cc21 ZINC000166699763 197696845 /nfs/dbraw/zinc/69/68/45/197696845.db2.gz UKPADJFZQSWGDA-UHFFFAOYSA-N 1 0 300.811 2.188 10 0 DEAERO C[C@@]1(C(=O)NCCc2ccc(Cl)cc2Cl)COC[C@H]1[NH3+] ZINC000090581434 185304883 /nfs/dbraw/zinc/30/48/83/185304883.db2.gz NWVKHHIVDMNWJV-TZMCWYRMSA-N 1 0 317.216 2.016 10 0 DEAERO C[NH+](C)C[C@@H]1CSCCCN1S(=O)(=O)C1CCCCC1 ZINC000090700386 185310502 /nfs/dbraw/zinc/31/05/02/185310502.db2.gz ZRTGZXOENBCENF-CYBMUJFWSA-N 1 0 320.524 2.018 10 0 DEAERO Brc1cncnc1N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000090781587 185311855 /nfs/dbraw/zinc/31/18/55/185311855.db2.gz JPIKPQWSSMPWMI-PWSUYJOCSA-N 1 0 311.227 2.208 10 0 DEAERO CC(C)[NH2+]C[C@H]1CCCN(c2ncncc2Br)C1 ZINC000090781685 185311860 /nfs/dbraw/zinc/31/18/60/185311860.db2.gz ZAQPOLKLJCNSSZ-LLVKDONJSA-N 1 0 313.243 2.454 10 0 DEAERO CCC[NH2+]C[C@@H]1CCCN(c2ncncc2Br)C1 ZINC000090782640 185311913 /nfs/dbraw/zinc/31/19/13/185311913.db2.gz GEWLJKFGOPZZDN-NSHDSACASA-N 1 0 313.243 2.455 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)CCC2 ZINC000092384058 185315323 /nfs/dbraw/zinc/31/53/23/185315323.db2.gz ZBYPNIFRJWBIJJ-XJKSGUPXSA-N 1 0 309.431 2.239 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1)[NH+](C)C ZINC000092425138 185317583 /nfs/dbraw/zinc/31/75/83/185317583.db2.gz AKVYSSIYKIAYPZ-HNNXBMFYSA-N 1 0 305.422 2.366 10 0 DEAERO COCC[NH2+]CC(=O)Nc1c(Cl)cc(C)c2ncccc21 ZINC000092495325 185322229 /nfs/dbraw/zinc/32/22/29/185322229.db2.gz LOUBTAYWYYCENL-UHFFFAOYSA-N 1 0 307.781 2.371 10 0 DEAERO CCCCN1CCOC[C@@H]1C(=O)NCc1ccc(F)c(C)c1 ZINC000184209960 282247599 /nfs/dbraw/zinc/24/75/99/282247599.db2.gz ASYAAAGXWDYYGW-MRXNPFEDSA-N 1 0 308.397 2.251 10 0 DEAERO Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000245538320 282244875 /nfs/dbraw/zinc/24/48/75/282244875.db2.gz JULHMLITUBKBHF-HIFRSBDPSA-N 1 0 312.417 2.267 10 0 DEAERO CN(C[C@@H]1CCC[N@@H+]1C)c1nc(Cl)ncc1Br ZINC000092664995 185332537 /nfs/dbraw/zinc/33/25/37/185332537.db2.gz CIEGGXOJOTYFOQ-QMMMGPOBSA-N 1 0 319.634 2.423 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Br)c[nH]1 ZINC000092632248 185330229 /nfs/dbraw/zinc/33/02/29/185330229.db2.gz PVHPFJYVKNJBAJ-NSHDSACASA-N 1 0 314.227 2.334 10 0 DEAERO Cc1nn(C)c(Cl)c1CN1C[C@H](C2CC2)[NH2+]C[C@@H]1C1CC1 ZINC000167704254 197713481 /nfs/dbraw/zinc/71/34/81/197713481.db2.gz ZPBFVTJGAJNMJG-HUUCEWRRSA-N 1 0 308.857 2.344 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](S(=O)(=O)C1CCCCC1)C2 ZINC000092859261 185346969 /nfs/dbraw/zinc/34/69/69/185346969.db2.gz ONDDXXVOFYJATO-JKSUJKDBSA-N 1 0 309.431 2.367 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](S(=O)(=O)c1ccccc1)C2 ZINC000092859111 185346988 /nfs/dbraw/zinc/34/69/88/185346988.db2.gz UEXANDPBEIDJCQ-HOTGVXAUSA-N 1 0 303.383 2.094 10 0 DEAERO COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000181406762 199292268 /nfs/dbraw/zinc/29/22/68/199292268.db2.gz TZPHJDHMUUUHIL-AWEZNQCLSA-N 1 0 320.433 2.215 10 0 DEAERO CCC[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)NC1(C)CC1 ZINC000168534916 197724657 /nfs/dbraw/zinc/72/46/57/197724657.db2.gz CUXVTCAAEAWCRD-UHFFFAOYSA-N 1 0 300.424 2.227 10 0 DEAERO CC(C)[NH2+]Cc1c(F)ccc(S(=O)(=O)NC2(C)CC2)c1F ZINC000168534709 197725338 /nfs/dbraw/zinc/72/53/38/197725338.db2.gz GXHRVNYUQAAOGU-UHFFFAOYSA-N 1 0 318.389 2.294 10 0 DEAERO O=C(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)OCc1ccccc1 ZINC000181453327 199298630 /nfs/dbraw/zinc/29/86/30/199298630.db2.gz AMHYKXDJSCXOAB-MRXNPFEDSA-N 1 0 314.389 2.049 10 0 DEAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCC2(CC1)OCCO2 ZINC000181552042 199316313 /nfs/dbraw/zinc/31/63/13/199316313.db2.gz ZOLMKVKXNMSTNU-HNNXBMFYSA-N 1 0 318.417 2.011 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1sccc1Br ZINC000070680151 539345302 /nfs/dbraw/zinc/34/53/02/539345302.db2.gz UWLIFIBNDZHBIB-SFYZADRCSA-N 1 0 303.225 2.440 10 0 DEAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2nnc(-c3ccccc3)n2C)C1 ZINC000187898894 282294251 /nfs/dbraw/zinc/29/42/51/282294251.db2.gz ULFMXWMLGQHMGP-KBXCAEBGSA-N 1 0 314.433 2.465 10 0 DEAERO COCCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078369546 539366693 /nfs/dbraw/zinc/36/66/93/539366693.db2.gz PTCWTFFYGYZOAY-UHFFFAOYSA-N 1 0 305.422 2.118 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC[C@H]1C ZINC000190723123 282325159 /nfs/dbraw/zinc/32/51/59/282325159.db2.gz WKCKJOZWTNWCRU-OWCLPIDISA-N 1 0 311.470 2.173 10 0 DEAERO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000299744881 530051891 /nfs/dbraw/zinc/05/18/91/530051891.db2.gz VFQKPPDNJGIKNA-BBWFWOEESA-N 1 0 302.418 2.365 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCCO1 ZINC000183199096 199554088 /nfs/dbraw/zinc/55/40/88/199554088.db2.gz RDTRABYAUZHVBX-XEZPLFJOSA-N 1 0 304.390 2.065 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2ccnc(OC3CCC3)c2)CC1 ZINC000089571379 539411794 /nfs/dbraw/zinc/41/17/94/539411794.db2.gz HBMNZXDOAYGBHN-UHFFFAOYSA-N 1 0 303.406 2.179 10 0 DEAERO CN(Cc1cccc(Br)c1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089745778 539412670 /nfs/dbraw/zinc/41/26/70/539412670.db2.gz RTLVVZRMCJJZJO-LLVKDONJSA-N 1 0 311.223 2.407 10 0 DEAERO Cc1cc(C)n([C@H](C)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC000195067428 282368222 /nfs/dbraw/zinc/36/82/22/282368222.db2.gz GCJFJPZVFUQASY-HZPDHXFCSA-N 1 0 306.454 2.298 10 0 DEAERO Cc1ccc(C(F)(F)F)cc1NC(=O)COC1(C)C[NH2+]C1 ZINC000098060748 539435963 /nfs/dbraw/zinc/43/59/63/539435963.db2.gz YRUMWIDMDXJTCS-UHFFFAOYSA-N 1 0 302.296 2.331 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2ccoc2)no1 ZINC000245429731 282387182 /nfs/dbraw/zinc/38/71/82/282387182.db2.gz NGGJEIIUPXBHQC-KBPBESRZSA-N 1 0 302.378 2.388 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)CN(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000245432949 282388018 /nfs/dbraw/zinc/38/80/18/282388018.db2.gz OYTUKAFCULEKTI-ZACQAIPSSA-N 1 0 309.498 2.440 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3ccoc3)no2)[C@@H](C)C1 ZINC000245432390 282388040 /nfs/dbraw/zinc/38/80/40/282388040.db2.gz OPBUAIVIWZGIRJ-GXTWGEPZSA-N 1 0 304.394 2.492 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000245434425 282388417 /nfs/dbraw/zinc/38/84/17/282388417.db2.gz PURKYOQQCMMZLR-VQHPVUNQSA-N 1 0 307.482 2.240 10 0 DEAERO OCCC[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCc2ccccc21 ZINC000181734055 199345488 /nfs/dbraw/zinc/34/54/88/199345488.db2.gz VQVOPOSGCGFCPZ-KGLIPLIRSA-N 1 0 303.324 2.282 10 0 DEAERO COC1(C[NH2+]Cc2cc3ccccc3[nH]c2=O)CCOCC1 ZINC000123090118 539464633 /nfs/dbraw/zinc/46/46/33/539464633.db2.gz BFTSAOJHGCPUAA-UHFFFAOYSA-N 1 0 302.374 2.226 10 0 DEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000111268219 185568573 /nfs/dbraw/zinc/56/85/73/185568573.db2.gz WHBYYNXUNNVRTL-WCQYABFASA-N 1 0 300.324 2.433 10 0 DEAERO COc1ccc(Br)cc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111271897 185569516 /nfs/dbraw/zinc/56/95/16/185569516.db2.gz AAXKSWXLWGQNGF-SCZZXKLOSA-N 1 0 313.195 2.252 10 0 DEAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC000183224616 199559317 /nfs/dbraw/zinc/55/93/17/199559317.db2.gz QFCZQRBGCMPXMC-INIZCTEOSA-N 1 0 315.417 2.232 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000130053171 539492767 /nfs/dbraw/zinc/49/27/67/539492767.db2.gz IESHAFFTHHWLBA-MWHAMWOXSA-N 1 0 320.408 2.366 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000246109418 282419873 /nfs/dbraw/zinc/41/98/73/282419873.db2.gz HRCZDFHUGQVHGV-ZACQAIPSSA-N 1 0 315.461 2.457 10 0 DEAERO C[C@@H]([NH3+])Cc1ccccc1N1CCN(CC(F)(F)F)CC1 ZINC000111500067 185609435 /nfs/dbraw/zinc/60/94/35/185609435.db2.gz DHOZHOUOWCKLHE-GFCCVEGCSA-N 1 0 301.356 2.261 10 0 DEAERO CC[C@H]([NH3+])Cc1c(Cl)cccc1Sc1n[nH]c(=O)n1C ZINC000111586357 185614650 /nfs/dbraw/zinc/61/46/50/185614650.db2.gz RCHRVVIPQHUYQL-QMMMGPOBSA-N 1 0 312.826 2.193 10 0 DEAERO CC[NH2+][C@@H](C)[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2)C1 ZINC000111716561 185630503 /nfs/dbraw/zinc/63/05/03/185630503.db2.gz SQQQVBIUDNATNO-UONOGXRCSA-N 1 0 310.463 2.305 10 0 DEAERO CCC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1 ZINC000111720391 185631253 /nfs/dbraw/zinc/63/12/53/185631253.db2.gz SYHBQKRHGFJGTP-AWEZNQCLSA-N 1 0 314.426 2.369 10 0 DEAERO [NH3+]C[C@@H](Cc1ccccc1)Nc1ncc(Br)cn1 ZINC000111751513 185633059 /nfs/dbraw/zinc/63/30/59/185633059.db2.gz LTHZQNKWJWLNFK-GFCCVEGCSA-N 1 0 307.195 2.221 10 0 DEAERO [NH3+]CCCOCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000625825280 365917952 /nfs/dbraw/zinc/91/79/52/365917952.db2.gz CGCARXJKLXBIGH-UHFFFAOYSA-N 1 0 306.193 2.480 10 0 DEAERO Cc1ccc(OC[C@@H](O)C[N@H+](C)CCc2nccs2)cc1 ZINC000157965057 539575850 /nfs/dbraw/zinc/57/58/50/539575850.db2.gz CWRLSHABXPNMIS-AWEZNQCLSA-N 1 0 306.431 2.366 10 0 DEAERO CCC[NH2+]C[C@H](O)C[S@@](=O)c1cc(Cl)ccc1Cl ZINC000126662417 185882302 /nfs/dbraw/zinc/88/23/02/185882302.db2.gz OPEDGQLPFFFPIY-YPMLDQLKSA-N 1 0 310.246 2.462 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1Br ZINC000070120009 190858479 /nfs/dbraw/zinc/85/84/79/190858479.db2.gz ABQMBBSTOQYKPP-SNVBAGLBSA-N 1 0 315.186 2.460 10 0 DEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000182008128 199373875 /nfs/dbraw/zinc/37/38/75/199373875.db2.gz ZZDWNYZLTYTCLZ-XQLPTFJDSA-N 1 0 302.422 2.359 10 0 DEAERO CCN1CCO[C@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000167387571 539610339 /nfs/dbraw/zinc/61/03/39/539610339.db2.gz IICBFFNEAPNQEI-OAHLLOKOSA-N 1 0 310.825 2.085 10 0 DEAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000170846881 539615417 /nfs/dbraw/zinc/61/54/17/539615417.db2.gz FVTQKPPOCMRLLC-WMZOPIPTSA-N 1 0 301.386 2.058 10 0 DEAERO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000616589087 362894503 /nfs/dbraw/zinc/89/45/03/362894503.db2.gz VCDRRPLQWRUFLA-ZDUSSCGKSA-N 1 0 302.399 2.328 10 0 DEAERO CC(C)(C)OC(=O)NCC[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616635110 362901578 /nfs/dbraw/zinc/90/15/78/362901578.db2.gz APKVBWUCSSZKPE-MRXNPFEDSA-N 1 0 319.449 2.375 10 0 DEAERO CCOCC[N@@H+]1CCN(c2cc(CC)nc(C)n2)C[C@H]1CC ZINC000180434972 539645018 /nfs/dbraw/zinc/64/50/18/539645018.db2.gz SXDZOGQOONLEJW-MRXNPFEDSA-N 1 0 306.454 2.285 10 0 DEAERO Clc1cccc([C@H](C[NH2+][C@@H]2CCCOC2)N2CCOCC2)c1 ZINC000180536421 539645483 /nfs/dbraw/zinc/64/54/83/539645483.db2.gz VLLZNBOFTQSORI-SJORKVTESA-N 1 0 324.852 2.482 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)[C@@H](C)[C@H]1OC ZINC000333830246 282975837 /nfs/dbraw/zinc/97/58/37/282975837.db2.gz MKKTVAITEZMIAM-RBSFLKMASA-N 1 0 323.481 2.364 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000191155957 539698862 /nfs/dbraw/zinc/69/88/62/539698862.db2.gz ZPWFOBHAAINUEI-HUUCEWRRSA-N 1 0 316.445 2.416 10 0 DEAERO C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC([NH+](C)C)CC1 ZINC000193822309 539715039 /nfs/dbraw/zinc/71/50/39/539715039.db2.gz PEWNFXQPZWPQGL-LLVKDONJSA-N 1 0 311.376 2.318 10 0 DEAERO C[NH+](C)[C@H]1CCN(c2nc3ccccc3cc2C(N)=S)C1 ZINC000071386944 190965390 /nfs/dbraw/zinc/96/53/90/190965390.db2.gz AVLMTVQVVMUJLT-LBPRGKRZSA-N 1 0 300.431 2.009 10 0 DEAERO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000236706643 201974914 /nfs/dbraw/zinc/97/49/14/201974914.db2.gz QHCZGBBXRANABI-LBPRGKRZSA-N 1 0 324.856 2.195 10 0 DEAERO C[NH2+][C@@H](CCc1ccc(I)cc1)COC ZINC000083850039 192386215 /nfs/dbraw/zinc/38/62/15/192386215.db2.gz UXTWGPNMJUZJJU-LBPRGKRZSA-N 1 0 319.186 2.458 10 0 DEAERO C[NH2+]C[C@@H](C)OCc1ccc(I)cc1 ZINC000083849799 192386504 /nfs/dbraw/zinc/38/65/04/192386504.db2.gz DNXNDFXCJYNXTF-SECBINFHSA-N 1 0 305.159 2.416 10 0 DEAERO C[NH2+][C@H](c1cc(Br)sc1C)[C@H]1COCCO1 ZINC000084006525 192395127 /nfs/dbraw/zinc/39/51/27/192395127.db2.gz MGYPHJPEAQOCON-MWLCHTKSSA-N 1 0 306.225 2.495 10 0 DEAERO CC[NH+](CC)CCN(CCC(=O)OC)C(=O)c1cccc(F)c1 ZINC000071608152 190993395 /nfs/dbraw/zinc/99/33/95/190993395.db2.gz DIFBGHNMLAFCOM-UHFFFAOYSA-N 1 0 324.396 2.173 10 0 DEAERO CC[NH+](CC)CCCCN(CCC(=O)OC)C(=O)C1CCC1 ZINC000071640791 190996431 /nfs/dbraw/zinc/99/64/31/190996431.db2.gz MQDSQQJYVHPNMR-UHFFFAOYSA-N 1 0 312.454 2.300 10 0 DEAERO CCc1nn(CC)c(C[C@@]2(O)CC[C@@H]([NH3+])C2)c1Br ZINC000133487927 185989074 /nfs/dbraw/zinc/98/90/74/185989074.db2.gz MYPOFGRLCDOEMX-NOZJJQNGSA-N 1 0 316.243 2.013 10 0 DEAERO COC(=O)c1ccc(NC(=O)Cc2csc([C@@H](C)[NH3+])n2)cc1 ZINC000071696163 191008328 /nfs/dbraw/zinc/00/83/28/191008328.db2.gz MJEBCAURHCOSBQ-SECBINFHSA-N 1 0 319.386 2.131 10 0 DEAERO Cn1cc([C@H]2CCCN2C(=O)NCCCC[NH+]2CCCC2)cn1 ZINC000170893418 197847070 /nfs/dbraw/zinc/84/70/70/197847070.db2.gz ORCVGFRHBLNEQY-MRXNPFEDSA-N 1 0 319.453 2.143 10 0 DEAERO NC(=O)c1ccc(Cl)cc1N1CCC([NH2+]CC2CC2)CC1 ZINC000133701752 186008194 /nfs/dbraw/zinc/00/81/94/186008194.db2.gz SUOGPDIUDMYQIF-UHFFFAOYSA-N 1 0 307.825 2.407 10 0 DEAERO O=C(c1cccc2ccccc21)[C@H]1CCC[N@@H+](C(CO)CO)C1 ZINC000071752687 191023418 /nfs/dbraw/zinc/02/34/18/191023418.db2.gz BYOKXILOCQONRF-HNNXBMFYSA-N 1 0 313.397 2.088 10 0 DEAERO CC(=O)NC1CCN([C@@H](c2ccccc2Cl)[C@H](C)[NH3+])CC1 ZINC000133737626 186010443 /nfs/dbraw/zinc/01/04/43/186010443.db2.gz VJRWGKWCLNGVCB-MEDUHNTESA-N 1 0 309.841 2.329 10 0 DEAERO C[NH+](C)C1(CNc2nc(N)ncc2Br)CCCC1 ZINC000133714329 186009286 /nfs/dbraw/zinc/00/92/86/186009286.db2.gz NMZLNAZWNORFBY-UHFFFAOYSA-N 1 0 314.231 2.108 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000138269376 186015581 /nfs/dbraw/zinc/01/55/81/186015581.db2.gz NRQICHYNWQMDJF-JTQLQIEISA-N 1 0 318.389 2.105 10 0 DEAERO CCS(=O)(=O)CCCOc1cc(OC)ccc1[C@@H](C)[NH2+]C ZINC000138494305 186017290 /nfs/dbraw/zinc/01/72/90/186017290.db2.gz HXYMNJRTNDGPSW-GFCCVEGCSA-N 1 0 315.435 2.179 10 0 DEAERO CC[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N[C@@H](C)CC)c1 ZINC000138610237 186017457 /nfs/dbraw/zinc/01/74/57/186017457.db2.gz DYGNFBWMUKHVRS-VIFPVBQESA-N 1 0 306.378 2.151 10 0 DEAERO CCC[NH2+][C@H](C)c1ccc(OC)cc1OCCS(C)(=O)=O ZINC000138547225 186017954 /nfs/dbraw/zinc/01/79/54/186017954.db2.gz SKNAASQMRGMXEN-GFCCVEGCSA-N 1 0 315.435 2.179 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000246510302 539764646 /nfs/dbraw/zinc/76/46/46/539764646.db2.gz QLEKGZYJACWPBA-QLFBSQMISA-N 1 0 304.438 2.413 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(Br)c1O ZINC000133839494 186013548 /nfs/dbraw/zinc/01/35/48/186013548.db2.gz RLRRPCZPYNKFEP-BDAKNGLRSA-N 1 0 313.195 2.468 10 0 DEAERO O=C(Nc1ccncc1Br)[C@@H]1CC12CC[NH2+]CC2 ZINC000147548175 186040025 /nfs/dbraw/zinc/04/00/25/186040025.db2.gz KXUOTIDGUOUHRV-VIFPVBQESA-N 1 0 310.195 2.172 10 0 DEAERO CCN(CC(C)(C)C[NH3+])[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147734763 186041299 /nfs/dbraw/zinc/04/12/99/186041299.db2.gz YBNOFVFRILBCRH-CQSZACIVSA-N 1 0 310.463 2.212 10 0 DEAERO C[C@@H]1CCC[C@H](C[NH3+])N1[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147723079 186041555 /nfs/dbraw/zinc/04/15/55/186041555.db2.gz YQFPXOBVWQURQL-UMVBOHGHSA-N 1 0 308.447 2.107 10 0 DEAERO Cc1c[nH+]c(NN)nc1OCc1ccccc1Br ZINC000147824332 186041721 /nfs/dbraw/zinc/04/17/21/186041721.db2.gz LAVYWIGSMKQJFW-UHFFFAOYSA-N 1 0 309.167 2.412 10 0 DEAERO CC[C@@H](C[NH3+])Cc1nc(-c2cncc(Br)c2)no1 ZINC000148018505 186042532 /nfs/dbraw/zinc/04/25/32/186042532.db2.gz ZDIFUOBYTQUIPV-MRVPVSSYSA-N 1 0 311.183 2.422 10 0 DEAERO Nc1cc(Br)cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000148112355 186043068 /nfs/dbraw/zinc/04/30/68/186043068.db2.gz NGFOZASASVMZFB-CQSZACIVSA-N 1 0 310.239 2.311 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC(F)F)cc1C[NH2+]C(C)C ZINC000148160282 186043323 /nfs/dbraw/zinc/04/33/23/186043323.db2.gz JMQQOYSKPYJUNN-UHFFFAOYSA-N 1 0 306.378 2.036 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N(C)C2CCC2)cc(C)c1F ZINC000144636760 186035671 /nfs/dbraw/zinc/03/56/71/186035671.db2.gz JSWKNVWNCUJNRX-UHFFFAOYSA-N 1 0 300.399 2.027 10 0 DEAERO CCc1nn(CC)c(C[NH2+]C(C)(C)[C@H](C)O)c1Br ZINC000144924124 186035679 /nfs/dbraw/zinc/03/56/79/186035679.db2.gz KHGAHJYVGYRIJI-VIFPVBQESA-N 1 0 318.259 2.477 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccccc1Br ZINC000149071345 186046665 /nfs/dbraw/zinc/04/66/65/186046665.db2.gz KENBYIWHCJOKRB-HOSYDEDBSA-N 1 0 311.223 2.482 10 0 DEAERO CN(c1ccccc1C[NH3+])S(=O)(=O)CCc1ccccc1 ZINC000149285457 186049019 /nfs/dbraw/zinc/04/90/19/186049019.db2.gz DVTUUWSRKUHUHW-UHFFFAOYSA-N 1 0 304.415 2.154 10 0 DEAERO C[C@@H](CS(=O)(=O)NCC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000149371141 186049420 /nfs/dbraw/zinc/04/94/20/186049420.db2.gz LPQCYKQYHVPNRP-HOCLYGCPSA-N 1 0 310.463 2.242 10 0 DEAERO C[C@@H](CS(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000149501437 186050022 /nfs/dbraw/zinc/05/00/22/186050022.db2.gz DCKIVJPLPGCBRI-CWRNSKLLSA-N 1 0 310.463 2.370 10 0 DEAERO C[C@H](CS(=O)(=O)N[C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000149502081 186050312 /nfs/dbraw/zinc/05/03/12/186050312.db2.gz DCKIVJPLPGCBRI-KBMXLJTQSA-N 1 0 310.463 2.370 10 0 DEAERO CC1(C)CCC[C@@H](NS(=O)(=O)CCC2CC[NH2+]CC2)C1 ZINC000149965803 186053547 /nfs/dbraw/zinc/05/35/47/186053547.db2.gz VTPMPHALYBEMSH-CQSZACIVSA-N 1 0 302.484 2.264 10 0 DEAERO CNc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)nc(SC)n1 ZINC000149963328 186053558 /nfs/dbraw/zinc/05/35/58/186053558.db2.gz IXJPWNPXQDFTFH-LBPRGKRZSA-N 1 0 307.467 2.305 10 0 DEAERO [NH3+][C@H](c1cccc(OC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000150019011 186054114 /nfs/dbraw/zinc/05/41/14/186054114.db2.gz KMGXRNVLMFTQNZ-GXSJLCMTSA-N 1 0 309.309 2.020 10 0 DEAERO CCC[C@](O)(C[NH3+])Cc1ccc(OC)c(Br)c1 ZINC000150036514 186054237 /nfs/dbraw/zinc/05/42/37/186054237.db2.gz DERIDMBQEJAZOQ-CYBMUJFWSA-N 1 0 302.212 2.490 10 0 DEAERO C[NH2+][C@@H](Cc1csc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000150051294 186054319 /nfs/dbraw/zinc/05/43/19/186054319.db2.gz LAHJZASNCBMUEH-FZMZJTMJSA-N 1 0 309.456 2.467 10 0 DEAERO C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000150093480 186054706 /nfs/dbraw/zinc/05/47/06/186054706.db2.gz GZPINDMAPOUQIS-JQWIXIFHSA-N 1 0 323.336 2.280 10 0 DEAERO CC[NH2+][C@@H](c1ccc2cccnc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000150124292 186054999 /nfs/dbraw/zinc/05/49/99/186054999.db2.gz LTWLFHXRGGNUNS-HOCLYGCPSA-N 1 0 304.415 2.320 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CCCC[C@H]1O)COc1ccccc1Cl ZINC000250234055 539782880 /nfs/dbraw/zinc/78/28/80/539782880.db2.gz HXWUWJPBUVFKLE-UMVBOHGHSA-N 1 0 313.825 2.220 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000262338387 539788461 /nfs/dbraw/zinc/78/84/61/539788461.db2.gz UBFZFBZPNYKGCG-SVGFKBNWSA-N 1 0 302.418 2.350 10 0 DEAERO Cc1nn(C)c2sc([C@H](C)[NH2+][C@H]3CCC(=O)N[C@@H]3C)cc12 ZINC000287142594 219340774 /nfs/dbraw/zinc/34/07/74/219340774.db2.gz SIDVWRWAPDUCAD-SCVCMEIPSA-N 1 0 306.435 2.261 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2C)[NH+](C)C ZINC000152618810 186090693 /nfs/dbraw/zinc/09/06/93/186090693.db2.gz JGYIEGDFWSXCBW-HNNXBMFYSA-N 1 0 303.406 2.264 10 0 DEAERO O=C(CCC(=O)c1ccc(F)c(F)c1)NCC[C@H]1CCC[NH2+]C1 ZINC000152693026 186098056 /nfs/dbraw/zinc/09/80/56/186098056.db2.gz WAVGWASAGZFXSP-GFCCVEGCSA-N 1 0 324.371 2.434 10 0 DEAERO CC(=O)c1cccc(O[C@H](C)C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1 ZINC000155723562 186106968 /nfs/dbraw/zinc/10/69/68/186106968.db2.gz FLMCHRIXMNRQGF-KCQAQPDRSA-N 1 0 318.417 2.208 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000155822589 186115730 /nfs/dbraw/zinc/11/57/30/186115730.db2.gz BXINQMQWJIEQSV-ZIAGYGMSSA-N 1 0 301.475 2.059 10 0 DEAERO C[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1Br ZINC000163951359 186143621 /nfs/dbraw/zinc/14/36/21/186143621.db2.gz MPTHCUQEJVPAEW-VHSXEESVSA-N 1 0 311.223 2.482 10 0 DEAERO Cc1c(C[NH3+])cc(Cl)cc1S(=O)(=O)NC1CC(C)C1 ZINC000163998030 186145482 /nfs/dbraw/zinc/14/54/82/186145482.db2.gz LTEHPBLYVMILMI-UHFFFAOYSA-N 1 0 302.827 2.184 10 0 DEAERO COCCn1ncc(Br)c1[C@@H](F)C1CC[NH2+]CC1 ZINC000163994894 186145538 /nfs/dbraw/zinc/14/55/38/186145538.db2.gz GUPVLEALOPROHQ-NSHDSACASA-N 1 0 320.206 2.302 10 0 DEAERO C[C@H]([NH3+])CNc1ncc(Br)cc1Br ZINC000164028763 186146460 /nfs/dbraw/zinc/14/64/60/186146460.db2.gz IUHCHLQMTMYSQG-YFKPBYRVSA-N 1 0 309.005 2.366 10 0 DEAERO COCCn1ncc(Br)c1[C@]1(F)CCC[C@H]([NH3+])C1 ZINC000164030253 186146485 /nfs/dbraw/zinc/14/64/85/186146485.db2.gz USUKLJZNBHCJLC-CABZTGNLSA-N 1 0 320.206 2.358 10 0 DEAERO Cn1cnnc1Sc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000164051649 186147140 /nfs/dbraw/zinc/14/71/40/186147140.db2.gz QEZVMMFXIXAZSY-UHFFFAOYSA-N 1 0 302.325 2.486 10 0 DEAERO Cn1ncc(Br)c1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000164077725 186148508 /nfs/dbraw/zinc/14/85/08/186148508.db2.gz NGEZTRSHBKYGCW-LSJOCFKGSA-N 1 0 312.211 2.286 10 0 DEAERO COCCN1C(=[NH2+])NC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000164124884 186149294 /nfs/dbraw/zinc/14/92/94/186149294.db2.gz BOOWZJRAGDVPQH-NSHDSACASA-N 1 0 305.275 2.162 10 0 DEAERO CCn1ncc(Br)c1C(=O)C1CCC([NH3+])CC1 ZINC000164142939 186149749 /nfs/dbraw/zinc/14/97/49/186149749.db2.gz RZGQZESNHCRBGS-UHFFFAOYSA-N 1 0 300.200 2.366 10 0 DEAERO CS(=O)(=O)CCCn1cc(CC[NH3+])c2ccc(Cl)cc21 ZINC000164134402 186149758 /nfs/dbraw/zinc/14/97/58/186149758.db2.gz COMOEYVQTHEWMG-UHFFFAOYSA-N 1 0 314.838 2.231 10 0 DEAERO O=C(Nc1ccc(C(F)(F)F)cc1)OC[C@H]1C[NH2+]CCO1 ZINC000164143692 186150045 /nfs/dbraw/zinc/15/00/45/186150045.db2.gz PXRREYOVTWNMEE-LLVKDONJSA-N 1 0 304.268 2.242 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CN(c2ncc(Cl)cc2Br)CCO1 ZINC000159683784 186135029 /nfs/dbraw/zinc/13/50/29/186135029.db2.gz VYYUTSIBEWNOSF-GMSGAONNSA-N 1 0 320.618 2.050 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1nnc(Cl)s1 ZINC000159734194 186137787 /nfs/dbraw/zinc/13/77/87/186137787.db2.gz UAJCQMNTVGDHFL-VIFPVBQESA-N 1 0 304.847 2.432 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1OC ZINC000173299154 186173873 /nfs/dbraw/zinc/17/38/73/186173873.db2.gz BFHFPZOZTROFFD-CYBMUJFWSA-N 1 0 306.406 2.367 10 0 DEAERO C[C@H](C(=O)N(Cc1cccs1)C[C@H]1CCCO1)C1C[NH2+]C1 ZINC000164168499 186151150 /nfs/dbraw/zinc/15/11/50/186151150.db2.gz SKUNFTQONZSPIQ-GXTWGEPZSA-N 1 0 308.447 2.111 10 0 DEAERO NC(=[NH2+])c1cc(N2CCCC[C@@H]2CO)ccc1C(F)(F)F ZINC000164298779 186155349 /nfs/dbraw/zinc/15/53/49/186155349.db2.gz BCFMPLWAZYEUAD-SNVBAGLBSA-N 1 0 301.312 2.341 10 0 DEAERO CCn1c(S[C@@H]2C[C@@H](C)c3ccccc3[C@@H]2[NH3+])n[nH]c1=O ZINC000164364883 186157457 /nfs/dbraw/zinc/15/74/57/186157457.db2.gz GJZKKBBLAJUMPR-WQAKAFBOSA-N 1 0 304.419 2.259 10 0 DEAERO C[C@H](C(=O)NCc1ccc(OC(F)(F)F)cc1)C1C[NH2+]C1 ZINC000164411440 186158325 /nfs/dbraw/zinc/15/83/25/186158325.db2.gz OCMWMQOPGWFVBZ-VIFPVBQESA-N 1 0 302.296 2.057 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccnc1OC ZINC000173333099 186177689 /nfs/dbraw/zinc/17/76/89/186177689.db2.gz UYRRAOBKLWKWDB-CHWSQXEVSA-N 1 0 304.394 2.181 10 0 DEAERO COC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C)o1 ZINC000175689068 186188557 /nfs/dbraw/zinc/18/85/57/186188557.db2.gz ADNWDVYYPZBUKN-SNPRPXQTSA-N 1 0 323.437 2.400 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000183898019 186228855 /nfs/dbraw/zinc/22/88/55/186228855.db2.gz HLMSZQGMAZLKLZ-HNNXBMFYSA-N 1 0 317.414 2.423 10 0 DEAERO c1ccc(CN2CCSC[C@H]2C[NH2+]Cc2cncnc2)cc1 ZINC000276957987 539806625 /nfs/dbraw/zinc/80/66/25/539806625.db2.gz CUKPVIDNHLDKBM-QGZVFWFLSA-N 1 0 314.458 2.184 10 0 DEAERO CCc1nc(CNC(=O)NCCC[NH+]2CCCCC2)cs1 ZINC000171679664 197965638 /nfs/dbraw/zinc/96/56/38/197965638.db2.gz KJLQDMHCGMMZPG-UHFFFAOYSA-N 1 0 310.467 2.381 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(OCCOC)cc1 ZINC000171863195 197997224 /nfs/dbraw/zinc/99/72/24/197997224.db2.gz XOJFXTFRVFKQSZ-AWEZNQCLSA-N 1 0 308.422 2.172 10 0 DEAERO COc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1 ZINC000171886147 198001352 /nfs/dbraw/zinc/00/13/52/198001352.db2.gz ZDUVMKHHQLPHAD-CYBMUJFWSA-N 1 0 305.378 2.016 10 0 DEAERO CCOc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000171890357 198001741 /nfs/dbraw/zinc/00/17/41/198001741.db2.gz SODQBIDQWZDDTM-CQSZACIVSA-N 1 0 319.405 2.406 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C)cc1OC ZINC000171908399 198006548 /nfs/dbraw/zinc/00/65/48/198006548.db2.gz GSBDDNZQZUIRPS-CQSZACIVSA-N 1 0 321.421 2.236 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCc1ccc2c(c1)CCO2 ZINC000172068308 198033824 /nfs/dbraw/zinc/03/38/24/198033824.db2.gz TXNMRUQXXBEMQP-AWEZNQCLSA-N 1 0 319.449 2.194 10 0 DEAERO C[C@@H]1CN2C(=[NH+]CC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000300047835 539860307 /nfs/dbraw/zinc/86/03/07/539860307.db2.gz UUIZFFMFURAGBK-RDBSUJKOSA-N 1 0 322.453 2.056 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cnn(CC(F)F)c1 ZINC000072547347 191191114 /nfs/dbraw/zinc/19/11/14/191191114.db2.gz YVHKABMPWOPPAW-SNVBAGLBSA-N 1 0 303.357 2.000 10 0 DEAERO c1cc(-c2noc(CN3CC[N@@H+]4CCCC[C@@H]4C3)n2)cs1 ZINC000172804841 198152564 /nfs/dbraw/zinc/15/25/64/198152564.db2.gz XIHNKMGGSAGYQN-CYBMUJFWSA-N 1 0 304.419 2.468 10 0 DEAERO O=C(c1cnc(-c2ccncc2)s1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172907528 198166473 /nfs/dbraw/zinc/16/64/73/198166473.db2.gz CDYHUQKERBFSLR-ZDUSSCGKSA-N 1 0 314.414 2.125 10 0 DEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000324545575 539907802 /nfs/dbraw/zinc/90/78/02/539907802.db2.gz SUMSBLWBSVAWDB-FZMZJTMJSA-N 1 0 301.814 2.076 10 0 DEAERO CC(C)(C)n1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cn1 ZINC000329646396 539925211 /nfs/dbraw/zinc/92/52/11/539925211.db2.gz DPKVQSYKBBOALF-STQMWFEESA-N 1 0 317.393 2.224 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000173261301 198202351 /nfs/dbraw/zinc/20/23/51/198202351.db2.gz DQWVQNYQERZOGV-GDBMZVCRSA-N 1 0 310.463 2.346 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000173265197 198203311 /nfs/dbraw/zinc/20/33/11/198203311.db2.gz KETJCZJFJBDNDW-MFKMUULPSA-N 1 0 318.389 2.068 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000173267341 198203820 /nfs/dbraw/zinc/20/38/20/198203820.db2.gz CLRMCJZMGCDEMQ-CABCVRRESA-N 1 0 310.463 2.407 10 0 DEAERO C[C@H](NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000333283009 539954674 /nfs/dbraw/zinc/95/46/74/539954674.db2.gz MUIAMGOOQOOICG-JSGCOSHPSA-N 1 0 304.438 2.196 10 0 DEAERO O=C(NCc1ccc2c(c1)CCCN2)N1CCC2(CC[NH2+]2)CC1 ZINC000333310544 539955646 /nfs/dbraw/zinc/95/56/46/539955646.db2.gz RRAPEYKOXCOMOB-UHFFFAOYSA-N 1 0 314.433 2.082 10 0 DEAERO O=C(Nc1nc(C(F)(F)F)cs1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333141408 539949441 /nfs/dbraw/zinc/94/94/41/539949441.db2.gz KYJXOUMFBSSFMD-YUMQZZPRSA-N 1 0 320.340 2.235 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000173455414 198216958 /nfs/dbraw/zinc/21/69/58/198216958.db2.gz ZERSACXEARNLBE-CYBMUJFWSA-N 1 0 314.832 2.410 10 0 DEAERO Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)c2cc[nH+]cc2C)no1 ZINC000333484291 539960729 /nfs/dbraw/zinc/96/07/29/539960729.db2.gz PWMYGTPGBUXESG-KBPBESRZSA-N 1 0 319.384 2.130 10 0 DEAERO [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000333819480 539973063 /nfs/dbraw/zinc/97/30/63/539973063.db2.gz QVRAMJUIUILMQF-UHIISALHSA-N 1 0 311.788 2.468 10 0 DEAERO C[C@@H](C[NH2+]C[C@@H]1COC2(CCOCC2)O1)Cc1ccccc1 ZINC000182074363 199382944 /nfs/dbraw/zinc/38/29/44/199382944.db2.gz ATYKEKLLCYWOPV-NVXWUHKLSA-N 1 0 305.418 2.377 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(CCOc2cc(C)ccc2C)CC1 ZINC000174074733 198288376 /nfs/dbraw/zinc/28/83/76/198288376.db2.gz RNKJERGDEHLHCP-KRWDZBQOSA-N 1 0 306.450 2.071 10 0 DEAERO C[C@H](Cc1ccccc1F)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174252974 198311410 /nfs/dbraw/zinc/31/14/10/198311410.db2.gz YVTUVGBKORIGOL-GDBMZVCRSA-N 1 0 317.408 2.412 10 0 DEAERO C[C@@H](O)CN1CCN(C(=O)c2cc3ccccc3s2)C[C@@H]1C ZINC000174284512 198314258 /nfs/dbraw/zinc/31/42/58/198314258.db2.gz NAAAPUPULMUCCN-QWHCGFSZSA-N 1 0 318.442 2.428 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000174583476 198354729 /nfs/dbraw/zinc/35/47/29/198354729.db2.gz FCKXKICYNHJOEE-MSOLQXFVSA-N 1 0 315.461 2.204 10 0 DEAERO C[C@@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)C(=O)c1cccc(F)c1 ZINC000174584702 198355547 /nfs/dbraw/zinc/35/55/47/198355547.db2.gz KJNVKYBEKMQTET-WFASDCNBSA-N 1 0 306.381 2.197 10 0 DEAERO CC[C@H]1CN(C(=O)c2cc(C)cc(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174604159 198357736 /nfs/dbraw/zinc/35/77/36/198357736.db2.gz OXQHXLLCKLABSX-WBVHZDCISA-N 1 0 304.434 2.221 10 0 DEAERO Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000236773675 202002498 /nfs/dbraw/zinc/00/24/98/202002498.db2.gz IRLQIQGGBUNZHW-MRXNPFEDSA-N 1 0 313.401 2.237 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000236788047 202008340 /nfs/dbraw/zinc/00/83/40/202008340.db2.gz MGCGZIHNCHNTNQ-HNNXBMFYSA-N 1 0 318.417 2.307 10 0 DEAERO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ncnn3C1)CCCO2 ZINC000180599549 283007622 /nfs/dbraw/zinc/00/76/22/283007622.db2.gz AEJVPTIWHMSVNC-GXTWGEPZSA-N 1 0 302.353 2.236 10 0 DEAERO CN(CC1C[NH+](C)C1)C(=O)c1cccc(F)c1Br ZINC000618189791 363407731 /nfs/dbraw/zinc/40/77/31/363407731.db2.gz WFCGVUDNOOECOS-UHFFFAOYSA-N 1 0 315.186 2.222 10 0 DEAERO CN(CC1C[NH+](C)C1)C(=O)c1cc(F)ccc1Br ZINC000618196994 363412259 /nfs/dbraw/zinc/41/22/59/363412259.db2.gz WKVUDNKUKRUSCS-UHFFFAOYSA-N 1 0 315.186 2.222 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)CCO1 ZINC000073491226 191320601 /nfs/dbraw/zinc/32/06/01/191320601.db2.gz NZANVSJSVNNVDO-ZDUSSCGKSA-N 1 0 308.466 2.380 10 0 DEAERO CC(C)COC1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000077394156 355203503 /nfs/dbraw/zinc/20/35/03/355203503.db2.gz SSILYRWCZBTXKX-UHFFFAOYSA-N 1 0 304.434 2.440 10 0 DEAERO C[C@@H]1CN(C(=O)Oc2ccccc2)CC[C@@H]1[NH+]1CCOCC1 ZINC000073655131 191337271 /nfs/dbraw/zinc/33/72/71/191337271.db2.gz KEYRGLPXBXPXGJ-ZBFHGGJFSA-N 1 0 304.390 2.228 10 0 DEAERO Cn1cc(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)nn1 ZINC000389830295 540132982 /nfs/dbraw/zinc/13/29/82/540132982.db2.gz YCSCPQKLRPMYKH-CYBMUJFWSA-N 1 0 321.222 2.225 10 0 DEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390871154 540135429 /nfs/dbraw/zinc/13/54/29/540135429.db2.gz GEJOIMPWFBOQNJ-ROUUACIJSA-N 1 0 320.477 2.274 10 0 DEAERO CC1CCN(C(=O)C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)CC1 ZINC000080903327 355391301 /nfs/dbraw/zinc/39/13/01/355391301.db2.gz CSUOSHIGYPTWOI-QAPCUYQASA-N 1 0 310.482 2.412 10 0 DEAERO CCc1cnc(CCNC(=O)NCC[N@@H+](C)[C@@H](C)CC)s1 ZINC000075810287 191518549 /nfs/dbraw/zinc/51/85/49/191518549.db2.gz NIFOJFJRWLWKMO-LBPRGKRZSA-N 1 0 312.483 2.278 10 0 DEAERO C[C@H](CO)[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000077757258 191770021 /nfs/dbraw/zinc/77/00/21/191770021.db2.gz VIZNKOFUOOAFEH-CABCVRRESA-N 1 0 319.449 2.099 10 0 DEAERO Nc1ncc(C2=CC[NH2+]CC2)nc1-c1nnc(-c2ccccc2)o1 ZINC000114231891 355761297 /nfs/dbraw/zinc/76/12/97/355761297.db2.gz YLFSLLKAINERNO-UHFFFAOYSA-N 1 0 320.356 2.153 10 0 DEAERO Cc1ccc(NC(=O)CN(C)C(=O)C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000114473652 355763684 /nfs/dbraw/zinc/76/36/84/355763684.db2.gz YOMLKJJPYWUZFQ-CQSZACIVSA-N 1 0 319.449 2.416 10 0 DEAERO O=C1CO[C@H](C[NH+](Cc2ccccc2)Cc2ccccc2)CN1 ZINC000136651292 355867824 /nfs/dbraw/zinc/86/78/24/355867824.db2.gz NXVXQJHCVBSUDW-SFHVURJKSA-N 1 0 310.397 2.204 10 0 DEAERO C[C@@H](CCC(C)(C)C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000153841249 355938626 /nfs/dbraw/zinc/93/86/26/355938626.db2.gz KUVRVJOWHVRCNK-LSDHHAIUSA-N 1 0 313.486 2.347 10 0 DEAERO CNC(=O)c1c2ncccc2nc([C@H](C)[NH3+])c1-c1ccccn1 ZINC000141589266 355891143 /nfs/dbraw/zinc/89/11/43/355891143.db2.gz JAOBPUAAGFBZGR-JTQLQIEISA-N 1 0 307.357 2.071 10 0 DEAERO O=c1c2cccc(N3CC[NH2+]CC3)c2ccn1Cc1ccccc1 ZINC000144179449 355901378 /nfs/dbraw/zinc/90/13/78/355901378.db2.gz OTZZOEOOSHWOPU-UHFFFAOYSA-N 1 0 319.408 2.459 10 0 DEAERO CNC(=O)N1CCC([C@@H]2CC[N@H+](Cc3ccc(C)cn3)C2)CC1 ZINC000169781611 355982926 /nfs/dbraw/zinc/98/29/26/355982926.db2.gz DPIMEWQBDBJRDD-MRXNPFEDSA-N 1 0 316.449 2.263 10 0 DEAERO CCOCc1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170829427 355994517 /nfs/dbraw/zinc/99/45/17/355994517.db2.gz PFNSEBKFDJRRAW-INIZCTEOSA-N 1 0 305.422 2.069 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C(=O)NC)c1 ZINC000180843961 356063628 /nfs/dbraw/zinc/06/36/28/356063628.db2.gz FWRHYADMUMZVKQ-DLBZAZTESA-N 1 0 301.434 2.105 10 0 DEAERO C[C@@H](NC(=O)Nc1nncs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180857011 356063993 /nfs/dbraw/zinc/06/39/93/356063993.db2.gz ZWDXNUFEBGCOPY-MNOVXSKESA-N 1 0 309.439 2.313 10 0 DEAERO C[C@@H](C[NH2+]C(C)(C)c1ccc(F)c(F)c1)CS(C)(=O)=O ZINC000180874456 356064740 /nfs/dbraw/zinc/06/47/40/356064740.db2.gz CTTYMFGBSPBODM-JTQLQIEISA-N 1 0 305.390 2.470 10 0 DEAERO CC(C)Oc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000179085936 356013570 /nfs/dbraw/zinc/01/35/70/356013570.db2.gz XMDKUOKXXWFTHS-ZIAGYGMSSA-N 1 0 303.406 2.178 10 0 DEAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000179205821 356017767 /nfs/dbraw/zinc/01/77/67/356017767.db2.gz SJFLRVFKVQPPKO-MELADBBJSA-N 1 0 315.421 2.221 10 0 DEAERO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182032209 356106205 /nfs/dbraw/zinc/10/62/05/356106205.db2.gz ICCOIINIWKHVET-ZIAGYGMSSA-N 1 0 315.421 2.079 10 0 DEAERO C[NH2+]Cc1ccn(Cc2cc(Br)ccc2OC)n1 ZINC000080093817 192000300 /nfs/dbraw/zinc/00/03/00/192000300.db2.gz RPOHGDXNYVKHQG-UHFFFAOYSA-N 1 0 310.195 2.422 10 0 DEAERO CCc1nnc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1C ZINC000185709182 356210296 /nfs/dbraw/zinc/21/02/96/356210296.db2.gz HQILWGUZDBRMOB-UONOGXRCSA-N 1 0 305.470 2.120 10 0 DEAERO C[C@@H](NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1)c1nccs1 ZINC000080314425 192023783 /nfs/dbraw/zinc/02/37/83/192023783.db2.gz JNFRRLYWVHXVFD-VHSXEESVSA-N 1 0 311.432 2.202 10 0 DEAERO CC[C@H](NS(=O)(=O)CC[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000080315079 192023919 /nfs/dbraw/zinc/02/39/19/192023919.db2.gz XJOJKTWMAOGXKG-NEPJUHHUSA-N 1 0 317.480 2.046 10 0 DEAERO C[C@@H]([NH2+]CCCn1ccnn1)c1cnn(Cc2ccccc2)c1 ZINC000184266132 356189514 /nfs/dbraw/zinc/18/95/14/356189514.db2.gz VFWNQMHIMBEMJN-OAHLLOKOSA-N 1 0 310.405 2.264 10 0 DEAERO CCCNS(=O)(=O)c1ccccc1OCC([NH3+])(CC)CC ZINC000080843486 192195566 /nfs/dbraw/zinc/19/55/66/192195566.db2.gz VDNWLJQKGXLRBP-UHFFFAOYSA-N 1 0 314.451 2.271 10 0 DEAERO CC[C@@](C)(CO)[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000080886583 192199857 /nfs/dbraw/zinc/19/98/57/192199857.db2.gz RDAZRZJIFIIZHF-ZDUSSCGKSA-N 1 0 304.312 2.438 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000262610544 356342238 /nfs/dbraw/zinc/34/22/38/356342238.db2.gz DUCUSBRIVWFRQQ-DVOMOZLQSA-N 1 0 306.406 2.096 10 0 DEAERO C[C@H](O)CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400739689 283158408 /nfs/dbraw/zinc/15/84/08/283158408.db2.gz KVBANPDDBGCDQA-MELADBBJSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]([NH2+]CCC[C@H](C)O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400739690 283158598 /nfs/dbraw/zinc/15/85/98/283158598.db2.gz KVBANPDDBGCDQA-MJBXVCDLSA-N 1 0 300.443 2.383 10 0 DEAERO CCn1cnnc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400469321 283157283 /nfs/dbraw/zinc/15/72/83/283157283.db2.gz XEVPYIZFGXOIQA-OLZOCXBDSA-N 1 0 323.441 2.033 10 0 DEAERO [NH3+]Cc1ccc(C(F)(F)F)nc1I ZINC000306491840 356403731 /nfs/dbraw/zinc/40/37/31/356403731.db2.gz NAMFYGKICQMBOX-UHFFFAOYSA-N 1 0 302.037 2.164 10 0 DEAERO C[C@H](C[NH3+])CNc1ccc(F)cc1I ZINC000306620848 356405025 /nfs/dbraw/zinc/40/50/25/356405025.db2.gz YHJSXHRYEDJWFF-SSDOTTSWSA-N 1 0 308.138 2.437 10 0 DEAERO CC(C)c1nsc(N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000328624505 356463086 /nfs/dbraw/zinc/46/30/86/356463086.db2.gz CKUDSJHVVNLHOS-ZDUSSCGKSA-N 1 0 310.467 2.209 10 0 DEAERO CCn1cnnc1[C@H]1CN(Cc2ccc3ccccc3n2)CCO1 ZINC000328639820 356466005 /nfs/dbraw/zinc/46/60/05/356466005.db2.gz PQPQUKGGSGAFNA-QGZVFWFLSA-N 1 0 323.400 2.420 10 0 DEAERO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccccc2OC)C1 ZINC000081571883 192295105 /nfs/dbraw/zinc/29/51/05/192295105.db2.gz CZZXZPRDHJZHAA-OAHLLOKOSA-N 1 0 319.449 2.297 10 0 DEAERO Clc1cccc(N2CCn3cnnc3C2)c1C[NH2+]C1CC1 ZINC000081537731 192286494 /nfs/dbraw/zinc/28/64/94/192286494.db2.gz ZWAGYRORQMJBAR-UHFFFAOYSA-N 1 0 303.797 2.204 10 0 DEAERO COc1cc(Br)cc(C)c1NC(=O)CC1C[NH2+]C1 ZINC000081749283 192319824 /nfs/dbraw/zinc/31/98/24/192319824.db2.gz VOSMOWZLDKUGDA-UHFFFAOYSA-N 1 0 313.195 2.314 10 0 DEAERO CCOC(=O)c1c(C2CC2)csc1NC(=O)CC1C[NH2+]C1 ZINC000081765829 192320952 /nfs/dbraw/zinc/32/09/52/192320952.db2.gz ZCRAEYKOMVBWGW-UHFFFAOYSA-N 1 0 308.403 2.350 10 0 DEAERO c1[nH+]cn2ccc(-c3noc(CCOC[C@H]4CCCO4)n3)cc12 ZINC000351087249 356610482 /nfs/dbraw/zinc/61/04/82/356610482.db2.gz MNGMJIDQZNKQBY-CQSZACIVSA-N 1 0 314.345 2.122 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1nc(Cc2ccccc2)ns1 ZINC000236919116 202071629 /nfs/dbraw/zinc/07/16/29/202071629.db2.gz HRQHXTRBXSEJID-GXFFZTMASA-N 1 0 304.419 2.441 10 0 DEAERO CCC(CC)C(=O)N1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236929351 202076785 /nfs/dbraw/zinc/07/67/85/202076785.db2.gz RZFBDUVIUNYWGD-GJZGRUSLSA-N 1 0 323.481 2.047 10 0 DEAERO CCOCCOc1ccccc1C(=O)N1CCC(C[NH2+]C)CC1 ZINC000236961130 202094978 /nfs/dbraw/zinc/09/49/78/202094978.db2.gz NMHYGBOJBXHPIE-UHFFFAOYSA-N 1 0 320.433 2.174 10 0 DEAERO CCOCCOc1ccccc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000236961351 202096106 /nfs/dbraw/zinc/09/61/06/202096106.db2.gz OEHAPQJCBOIGLY-GJZGRUSLSA-N 1 0 320.433 2.301 10 0 DEAERO C[NH2+][C@H](Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000086025707 192545699 /nfs/dbraw/zinc/54/56/99/192545699.db2.gz SHGSBUMVMPFMFC-NVXWUHKLSA-N 1 0 303.427 2.405 10 0 DEAERO CC[C@@H]1CN(c2ncc(Br)cc2C#N)CC[C@H]1[NH3+] ZINC000386097394 356694081 /nfs/dbraw/zinc/69/40/81/356694081.db2.gz JCTWOHMPSLJHGD-BXKDBHETSA-N 1 0 309.211 2.279 10 0 DEAERO CCC1(CC)C[NH2+][C@](C)(CC)CN1CCCS(=O)(=O)CC ZINC000086982562 192606320 /nfs/dbraw/zinc/60/63/20/192606320.db2.gz COXSTCFDOMYZBP-OAHLLOKOSA-N 1 0 318.527 2.444 10 0 DEAERO CCCCN(CC)S(=O)(=O)c1cc(C[NH2+]C)n(CCC)c1 ZINC000088916293 192656870 /nfs/dbraw/zinc/65/68/70/192656870.db2.gz HILGKMGKYXKJKP-UHFFFAOYSA-N 1 0 315.483 2.428 10 0 DEAERO CC[NH2+]Cc1ccc(OC)c(S(=O)(=O)N(C)CC(C)C)c1 ZINC000088948188 192664537 /nfs/dbraw/zinc/66/45/37/192664537.db2.gz CVZHLUCCDQRGFU-UHFFFAOYSA-N 1 0 314.451 2.081 10 0 DEAERO CC[NH2+]Cc1ccc(CS(=O)(=O)N(C)[C@H](C)C2CC2)cc1 ZINC000088962225 192670529 /nfs/dbraw/zinc/67/05/29/192670529.db2.gz LCKRACGHFIUQCK-CYBMUJFWSA-N 1 0 310.463 2.356 10 0 DEAERO c1ccc(OCCOCCN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000589154077 357448680 /nfs/dbraw/zinc/44/86/80/357448680.db2.gz WANOKAPDTHPCDU-KRWDZBQOSA-N 1 0 304.434 2.252 10 0 DEAERO C[C@H](C[N@H+](C)C[C@@H](O)COC[C@@H]1CCCO1)c1ccccc1 ZINC000589707895 357492442 /nfs/dbraw/zinc/49/24/42/357492442.db2.gz VMDJTAUFIAYBEC-NXHRZFHOSA-N 1 0 307.434 2.278 10 0 DEAERO COC(=O)c1coc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000184766719 199762129 /nfs/dbraw/zinc/76/21/29/199762129.db2.gz DLROCZIIIXTHQV-AWEZNQCLSA-N 1 0 320.389 2.157 10 0 DEAERO Cn1c2ccccc2nc1NC1CCN(CC[NH+](C)C)CC1 ZINC000179282307 199009328 /nfs/dbraw/zinc/00/93/28/199009328.db2.gz UZQHWQXWQCEKFU-UHFFFAOYSA-N 1 0 301.438 2.011 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc(CCC(=O)OC)cc1)[NH+](C)C ZINC000179218293 199000720 /nfs/dbraw/zinc/00/07/20/199000720.db2.gz QHOWZZBVZXECGW-HNNXBMFYSA-N 1 0 306.406 2.461 10 0 DEAERO CN1CCO[C@@H](CSCc2ncc(Br)s2)C1 ZINC000592359042 357866509 /nfs/dbraw/zinc/86/65/09/357866509.db2.gz QGQJJFLPRYMTMC-MRVPVSSYSA-N 1 0 323.281 2.469 10 0 DEAERO CC(C)n1cc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000179496548 199045736 /nfs/dbraw/zinc/04/57/36/199045736.db2.gz APIPGKKIZDKMMP-INIZCTEOSA-N 1 0 314.437 2.355 10 0 DEAERO COc1c(CN(C)C[C@H]2COc3ccccc3O2)c(C)nn1C ZINC000179634641 199067158 /nfs/dbraw/zinc/06/71/58/199067158.db2.gz LJLFEJAYGXFRDV-ZDUSSCGKSA-N 1 0 317.389 2.009 10 0 DEAERO CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249580913 535385280 /nfs/dbraw/zinc/38/52/80/535385280.db2.gz RBCZUWSVOGCNSG-NUEKZKHPSA-N 1 0 324.490 2.307 10 0 DEAERO Cc1nn(C)c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180095172 199116352 /nfs/dbraw/zinc/11/63/52/199116352.db2.gz ABHXNJXCWBQQNV-DOTOQJQBSA-N 1 0 312.417 2.212 10 0 DEAERO CCCCCN(C(C)C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C ZINC000089004162 192692394 /nfs/dbraw/zinc/69/23/94/192692394.db2.gz VHHUCUQCHKBDJK-OAHLLOKOSA-N 1 0 319.515 2.206 10 0 DEAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(Cl)cn1 ZINC000180828990 199215613 /nfs/dbraw/zinc/21/56/13/199215613.db2.gz FTQPJPJIODYUCY-FZMZJTMJSA-N 1 0 310.829 2.217 10 0 DEAERO Cc1noc(C)c1COc1ccccc1C(=O)NCCCC[NH3+] ZINC000181030704 199243068 /nfs/dbraw/zinc/24/30/68/199243068.db2.gz CYMJPQLFGBHWEJ-UHFFFAOYSA-N 1 0 317.389 2.339 10 0 DEAERO C=Cn1cc(CN2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)cn1 ZINC000597181972 358846952 /nfs/dbraw/zinc/84/69/52/358846952.db2.gz PVYNVHNQAKOYAP-NEPJUHHUSA-N 1 0 317.311 2.157 10 0 DEAERO CCCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C[NH2+]C)c1 ZINC000089022402 192702284 /nfs/dbraw/zinc/70/22/84/192702284.db2.gz AJBRSIVGCSYOEP-GFCCVEGCSA-N 1 0 314.451 2.272 10 0 DEAERO C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)CCCC[NH3+] ZINC000089027779 192708389 /nfs/dbraw/zinc/70/83/89/192708389.db2.gz BHHKJAQAHPUQBO-NSHDSACASA-N 1 0 304.843 2.402 10 0 DEAERO C[NH2+]Cc1sccc1S(=O)(=O)NCc1ccsc1 ZINC000089035683 192711100 /nfs/dbraw/zinc/71/11/00/192711100.db2.gz QMZDNUUYXGTZTR-UHFFFAOYSA-N 1 0 302.446 2.008 10 0 DEAERO CC[NH2+]C[C@@H]1CCCN1Cc1c(Br)c(C)nn1C ZINC000089234400 192747450 /nfs/dbraw/zinc/74/74/50/192747450.db2.gz KJKOQTJEPPCXCW-NSHDSACASA-N 1 0 315.259 2.065 10 0 DEAERO CCn1nc(C)c(Br)c1CC[C@@H](COC)[NH2+]C 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DEAERO Cc1nc([C@@H]2CCCN2C(=O)NC2CC[NH+](C)CC2)cs1 ZINC000187033790 200051110 /nfs/dbraw/zinc/05/11/10/200051110.db2.gz OCYUNLHCDJOEMN-AWEZNQCLSA-N 1 0 308.451 2.392 10 0 DEAERO Cc1ccc([C@@H](CNC(=O)N(C)CC2(CO)CC2)[NH+](C)C)cc1 ZINC000187046744 200052581 /nfs/dbraw/zinc/05/25/81/200052581.db2.gz MNMMCOLBAFVIQV-MRXNPFEDSA-N 1 0 319.449 2.012 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc3nc(C)ccc3c2)CC1 ZINC000187248285 200083249 /nfs/dbraw/zinc/08/32/49/200083249.db2.gz ZEPUHOXADHBUQF-SFHVURJKSA-N 1 0 313.445 2.432 10 0 DEAERO CCn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+]1CCn2cncc2C1 ZINC000668177956 540608653 /nfs/dbraw/zinc/60/86/53/540608653.db2.gz KLTWBAKOXADSDV-WMLDXEAASA-N 1 0 315.421 2.083 10 0 DEAERO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)C1CCS(=O)(=O)CC1 ZINC000187420778 200110208 /nfs/dbraw/zinc/11/02/08/200110208.db2.gz JIPUJLPMWMUNAH-SNVBAGLBSA-N 1 0 302.827 2.038 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000187692679 200145915 /nfs/dbraw/zinc/14/59/15/200145915.db2.gz HRNCDNFPHDEPRX-INIZCTEOSA-N 1 0 303.406 2.179 10 0 DEAERO Cc1c(-c2cc(C[N@@H+](C)[C@@]3(CO)CC[C@H](C)C3)on2)cnn1C ZINC000187958056 200182787 /nfs/dbraw/zinc/18/27/87/200182787.db2.gz ASBYZQPYSPAALC-SJCJKPOMSA-N 1 0 318.421 2.366 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000187889544 200172059 /nfs/dbraw/zinc/17/20/59/200172059.db2.gz GAOGQMYHCVZMEZ-IUODEOHRSA-N 1 0 323.412 2.458 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000187909571 200174898 /nfs/dbraw/zinc/17/48/98/200174898.db2.gz GTBFIGODVIGNAC-CYBMUJFWSA-N 1 0 323.412 2.318 10 0 DEAERO COCc1cccc(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000188226127 200211948 /nfs/dbraw/zinc/21/19/48/200211948.db2.gz NRRDTXAQYSLPEC-RHSMWYFYSA-N 1 0 304.434 2.317 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1C ZINC000188495755 200256180 /nfs/dbraw/zinc/25/61/80/200256180.db2.gz DODHYHKVUOBSCZ-WFASDCNBSA-N 1 0 315.417 2.262 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)c2cncc(Cl)n2)ccc1F ZINC000189390990 200392013 /nfs/dbraw/zinc/39/20/13/200392013.db2.gz YYPFXJOIXOBEMQ-UHFFFAOYSA-N 1 0 322.771 2.261 10 0 DEAERO CCSCC[C@H](C)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602457888 360382408 /nfs/dbraw/zinc/38/24/08/360382408.db2.gz JIRGVGRCMSDVPQ-GOEBONIOSA-N 1 0 323.506 2.094 10 0 DEAERO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000605523407 360976065 /nfs/dbraw/zinc/97/60/65/360976065.db2.gz UTJMIJUSHFWNLH-QGZVFWFLSA-N 1 0 314.429 2.349 10 0 DEAERO c1nc2c(ncnc2NCC2CC[NH+](C3CC3)CC2)n1C1CC1 ZINC000292660442 223189580 /nfs/dbraw/zinc/18/95/80/223189580.db2.gz HFFRNYYCSJNDOO-UHFFFAOYSA-N 1 0 312.421 2.448 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3nccn3c2)C1 ZINC000608313965 361196554 /nfs/dbraw/zinc/19/65/54/361196554.db2.gz WZRXEJJPJFLTTM-CQSZACIVSA-N 1 0 301.394 2.282 10 0 DEAERO CC[C@H](C[C@@H](C)CO)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000608722017 361254838 /nfs/dbraw/zinc/25/48/38/361254838.db2.gz HHNPHTQURDOMKI-YZDRTPDPSA-N 1 0 311.470 2.098 10 0 DEAERO CCOCCOCC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193438869 201051964 /nfs/dbraw/zinc/05/19/64/201051964.db2.gz NMAOTNYMHWRKCD-QGZVFWFLSA-N 1 0 316.401 2.009 10 0 DEAERO COC(=O)C(C)(C)[C@H](NC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000610824727 361472700 /nfs/dbraw/zinc/47/27/00/361472700.db2.gz LDVKFWWOTOWQAC-MRXNPFEDSA-N 1 0 320.433 2.383 10 0 DEAERO CC(=O)c1ccccc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620970374 364216376 /nfs/dbraw/zinc/21/63/76/364216376.db2.gz PGVJVJAEYMYRRQ-HNNXBMFYSA-N 1 0 318.417 2.072 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+]CCc2cncc(C)n2)c2ccccc21 ZINC000621764564 364539518 /nfs/dbraw/zinc/53/95/18/364539518.db2.gz IIJSOHQCDRAITQ-QGZVFWFLSA-N 1 0 310.401 2.415 10 0 DEAERO COc1cc(C)c(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1OC ZINC000091135044 193001049 /nfs/dbraw/zinc/00/10/49/193001049.db2.gz QZMIGWBRAGDMNE-LLVKDONJSA-N 1 0 310.419 2.046 10 0 DEAERO CN1CCOC[C@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000623712740 365141620 /nfs/dbraw/zinc/14/16/20/365141620.db2.gz KGUVLUQTOAQJLW-CYBMUJFWSA-N 1 0 317.202 2.008 10 0 DEAERO Fc1ccc(N2CCN(CC[C@@H]3CSCC[NH2+]3)CC2)cc1 ZINC000091291975 193032563 /nfs/dbraw/zinc/03/25/63/193032563.db2.gz FFEHUOICRYDXGZ-OAHLLOKOSA-N 1 0 309.454 2.043 10 0 DEAERO CO[C@H]1C[C@@H](C[NH2+]Cc2c(Br)c(C)nn2C)C1 ZINC000623823817 365185865 /nfs/dbraw/zinc/18/58/65/365185865.db2.gz LQXKRFYJIFAGGN-AOOOYVTPSA-N 1 0 302.216 2.006 10 0 DEAERO CSc1nc2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2s1 ZINC000091299828 193034461 /nfs/dbraw/zinc/03/44/61/193034461.db2.gz NJOJHPARIORMJV-SNVBAGLBSA-N 1 0 323.443 2.335 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000091368922 193047156 /nfs/dbraw/zinc/04/71/56/193047156.db2.gz GTLHJSBPSZVHNC-MWLCHTKSSA-N 1 0 309.460 2.355 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc3nc(N)sc3c2)C1 ZINC000091395545 193051131 /nfs/dbraw/zinc/05/11/31/193051131.db2.gz DNJKSTRERIARQU-LLVKDONJSA-N 1 0 304.419 2.045 10 0 DEAERO COCC[NH2+]CC[C@@](C)(O)Cc1ccccc1Br ZINC000091523466 193068712 /nfs/dbraw/zinc/06/87/12/193068712.db2.gz LTMHJMPJZIQTIE-CQSZACIVSA-N 1 0 316.239 2.369 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])C(C)(C)N1CCCCCC1 ZINC000091567775 193074873 /nfs/dbraw/zinc/07/48/73/193074873.db2.gz FFLXXQQXJRFFJZ-CQSZACIVSA-N 1 0 304.500 2.183 10 0 DEAERO C[NH2+]CC[C@](C)(O)Cc1cc(Br)ccc1OC ZINC000091469599 193060702 /nfs/dbraw/zinc/06/07/02/193060702.db2.gz HQOWCQXDDXSFNO-ZDUSSCGKSA-N 1 0 302.212 2.361 10 0 DEAERO CSC1(C(N)=S)CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000091478556 193061999 /nfs/dbraw/zinc/06/19/99/193061999.db2.gz SKGILZPNOYTPDE-UHFFFAOYSA-N 1 0 320.487 2.318 10 0 DEAERO CO[C@H]1CCC[C@H]([NH+]2CCC(SC)(C(N)=S)CC2)C1 ZINC000091488145 193063008 /nfs/dbraw/zinc/06/30/08/193063008.db2.gz OFLYFNLBDJRVCM-RYUDHWBXSA-N 1 0 302.509 2.428 10 0 DEAERO Cn1c2ccccc2nc1-c1csc([C@@H]2C[NH2+]CCO2)n1 ZINC000091499819 193064986 /nfs/dbraw/zinc/06/49/86/193064986.db2.gz DKMCDFWNRULWPE-ZDUSSCGKSA-N 1 0 300.387 2.358 10 0 DEAERO c1sc([C@H]2C[NH2+]CCO2)nc1-c1ccc2c(c1)OCCO2 ZINC000091501550 193065093 /nfs/dbraw/zinc/06/50/93/193065093.db2.gz KEFGXSQUSMWXMP-CQSZACIVSA-N 1 0 304.371 2.242 10 0 DEAERO CCS(=O)(=O)CCC[C@@H](O)C1([NH+](C)C)CCC(C)CC1 ZINC000091648628 193085362 /nfs/dbraw/zinc/08/53/62/193085362.db2.gz JTAVOHWATPJGPL-SHARSMKWSA-N 1 0 305.484 2.073 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Br)s1 ZINC000091667431 193088230 /nfs/dbraw/zinc/08/82/30/193088230.db2.gz FZBXFOIFCQQZPV-VHSXEESVSA-N 1 0 319.268 2.492 10 0 DEAERO C[NH2+][C@@H](c1ccccc1OC(F)(F)F)[C@H]1CN(C)CCO1 ZINC000091717988 193097147 /nfs/dbraw/zinc/09/71/47/193097147.db2.gz RSNWCVQPQSJPLX-OLZOCXBDSA-N 1 0 304.312 2.176 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)C(CC)(CC)N1CCCC1 ZINC000091635504 193082208 /nfs/dbraw/zinc/08/22/08/193082208.db2.gz AFBUNZFRYCPTKA-OAHLLOKOSA-N 1 0 318.527 2.444 10 0 DEAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000624235230 365344018 /nfs/dbraw/zinc/34/40/18/365344018.db2.gz GXFHMZLSBRESJJ-MELADBBJSA-N 1 0 312.207 2.176 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000624392497 365407449 /nfs/dbraw/zinc/40/74/49/365407449.db2.gz SJKAUOYHDGABFO-WDEREUQCSA-N 1 0 323.245 2.412 10 0 DEAERO CC(C)C[C@@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000091889027 193122098 /nfs/dbraw/zinc/12/20/98/193122098.db2.gz OSLUCVNOGMFLAW-SJORKVTESA-N 1 0 324.513 2.233 10 0 DEAERO C[C@](O)(c1ccccc1Br)[C@]1(C[NH3+])CCOC1 ZINC000091905897 193124906 /nfs/dbraw/zinc/12/49/06/193124906.db2.gz OIBAEWBJJYMIEK-STQMWFEESA-N 1 0 300.196 2.022 10 0 DEAERO [NH3+]CC1([C@@H](O)c2cc3c(c(Br)c2)OCO3)CCC1 ZINC000091909249 193124916 /nfs/dbraw/zinc/12/49/16/193124916.db2.gz JXXOQRDBGMBNBT-LBPRGKRZSA-N 1 0 314.179 2.340 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccsc2Br)C1 ZINC000449839772 241151956 /nfs/dbraw/zinc/15/19/56/241151956.db2.gz NLFHSSQGRWITNL-MRVPVSSYSA-N 1 0 303.225 2.287 10 0 DEAERO CN(Cc1ccncc1Br)[C@@H](C[NH3+])C(F)(F)F ZINC000629549877 367244810 /nfs/dbraw/zinc/24/48/10/367244810.db2.gz WQNJQJDRNMYIAZ-VIFPVBQESA-N 1 0 312.133 2.166 10 0 DEAERO C[NH2+]CCOCCN(C)Cc1cc(F)ccc1Br ZINC000629570154 367257007 /nfs/dbraw/zinc/25/70/07/367257007.db2.gz UZFLALDSBGJWBB-UHFFFAOYSA-N 1 0 319.218 2.256 10 0 DEAERO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H](O)CC1(O)CCOCC1 ZINC000630034595 367445583 /nfs/dbraw/zinc/44/55/83/367445583.db2.gz AYGVOGQJHLNBRR-FUHWJXTLSA-N 1 0 319.445 2.424 10 0 DEAERO CO[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)[C@](C)(C[NH3+])C1 ZINC000630367016 367614238 /nfs/dbraw/zinc/61/42/38/367614238.db2.gz NJHZTXQKHDXSKL-HZMBPMFUSA-N 1 0 300.761 2.057 10 0 DEAERO c1nc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c(C2CC2)o1 ZINC000293093015 223392916 /nfs/dbraw/zinc/39/29/16/223392916.db2.gz FDDUUIXPAVIPJL-QWRGUYRKSA-N 1 0 302.334 2.138 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C[NH3+])c2)C[C@H]1C ZINC000092113601 193161036 /nfs/dbraw/zinc/16/10/36/193161036.db2.gz SQDSGFFIWYIDDH-NXEZZACHSA-N 1 0 302.827 2.075 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c(C)cc1C ZINC000092113385 193161295 /nfs/dbraw/zinc/16/12/95/193161295.db2.gz IYMDTPLVFLRMTM-OKILXGFUSA-N 1 0 310.463 2.299 10 0 DEAERO C[C@@H]1CCCN1S(=O)(=O)c1ccc(C[NH2+]C2CC2)cc1F ZINC000092115740 193162972 /nfs/dbraw/zinc/16/29/72/193162972.db2.gz VKGGUFVZIKZCMY-LLVKDONJSA-N 1 0 312.410 2.251 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)NC2CCCCCC2)c(F)c1 ZINC000092115757 193163428 /nfs/dbraw/zinc/16/34/28/193163428.db2.gz CYIIZNOGPCHFMY-UHFFFAOYSA-N 1 0 300.399 2.286 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@@H](C)CC)c(F)c1 ZINC000092115628 193163550 /nfs/dbraw/zinc/16/35/50/193163550.db2.gz LTHAZABOZVQBKM-NSHDSACASA-N 1 0 302.415 2.354 10 0 DEAERO C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116052 193164058 /nfs/dbraw/zinc/16/40/58/193164058.db2.gz NENAIOFYQZCHBW-WDEREUQCSA-N 1 0 300.399 2.094 10 0 DEAERO C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(C[NH3+])cc2F)C1 ZINC000092116281 193164346 /nfs/dbraw/zinc/16/43/46/193164346.db2.gz NKEBNOBKMIXTIR-GHMZBOCLSA-N 1 0 300.399 2.094 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H](C)C2)c(F)c1 ZINC000092115855 193164512 /nfs/dbraw/zinc/16/45/12/193164512.db2.gz WVFURVKGCFYGHW-GFCCVEGCSA-N 1 0 314.426 2.354 10 0 DEAERO CC[NH2+][C@H](Cc1c(Br)c(C)nn1C)C(C)(C)OC ZINC000092139736 193167422 /nfs/dbraw/zinc/16/74/22/193167422.db2.gz RLIPEPVHACIXJY-LLVKDONJSA-N 1 0 318.259 2.437 10 0 DEAERO c1c(C[NH2+]CC2(C3CCC3)CCC2)nnn1C[C@H]1CCOC1 ZINC000631155250 368048980 /nfs/dbraw/zinc/04/89/80/368048980.db2.gz MJYGOXHUTVJYTA-CQSZACIVSA-N 1 0 304.438 2.375 10 0 DEAERO c1cc(C[NH2+]CCc2cn3c(n2)SCC3)n(CC2CCC2)n1 ZINC000631113895 368023007 /nfs/dbraw/zinc/02/30/07/368023007.db2.gz SHDXKQUHMCOLNT-UHFFFAOYSA-N 1 0 317.462 2.318 10 0 DEAERO CN(Cc1ccccc1Br)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204369 193172951 /nfs/dbraw/zinc/17/29/51/193172951.db2.gz ULZXAMAMLCIVIK-CMPLNLGQSA-N 1 0 309.207 2.311 10 0 DEAERO COc1ccc(Br)cc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092206972 193173628 /nfs/dbraw/zinc/17/36/28/193173628.db2.gz WDCAPNNHQNQSOK-SCZZXKLOSA-N 1 0 311.179 2.300 10 0 DEAERO COc1ccc(Br)cc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092206969 193173831 /nfs/dbraw/zinc/17/38/31/193173831.db2.gz WDCAPNNHQNQSOK-WCBMZHEXSA-N 1 0 311.179 2.300 10 0 DEAERO c1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c2c(c1)COCC2 ZINC000631731848 368362485 /nfs/dbraw/zinc/36/24/85/368362485.db2.gz CBWQUKREUBVYHA-SFHVURJKSA-N 1 0 316.445 2.102 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092239810 193178909 /nfs/dbraw/zinc/17/89/09/193178909.db2.gz TUXUKIKQABWPEG-IACUBPJLSA-N 1 0 302.443 2.332 10 0 DEAERO c1ccc(Cc2nc(CN3CCC[C@H]4C[NH2+]CC[C@H]43)no2)cc1 ZINC000631886483 368441033 /nfs/dbraw/zinc/44/10/33/368441033.db2.gz IDWOJKGVNCCZCJ-JKSUJKDBSA-N 1 0 312.417 2.234 10 0 DEAERO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)c2ccccc2Cl)C1 ZINC000631979713 368478808 /nfs/dbraw/zinc/47/88/08/368478808.db2.gz WDVZLZPGTAKDST-NSHDSACASA-N 1 0 316.854 2.397 10 0 DEAERO O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631995453 368485318 /nfs/dbraw/zinc/48/53/18/368485318.db2.gz GPVVUKBXXYIZRB-BXUZGUMPSA-N 1 0 314.838 2.103 10 0 DEAERO CC(C)(O)C[NH+]1CCN(C[C@@H]2CSc3ccccc32)CC1 ZINC000092292763 193186358 /nfs/dbraw/zinc/18/63/58/193186358.db2.gz XTNHOQPGXKEVKE-CQSZACIVSA-N 1 0 306.475 2.264 10 0 DEAERO C[N@H+](C[C@H]1Cc2cc(Br)ccc2O1)CC(C)(C)O ZINC000092970992 193190601 /nfs/dbraw/zinc/19/06/01/193190601.db2.gz DUZJPOPOIYTLEJ-GFCCVEGCSA-N 1 0 314.223 2.455 10 0 DEAERO CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1cccc(C)c1 ZINC000261944248 203158285 /nfs/dbraw/zinc/15/82/85/203158285.db2.gz NIEGWUJKOFAVLV-SJORKVTESA-N 1 0 312.417 2.085 10 0 DEAERO COc1c(Cl)cc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1Cl ZINC000261954432 203161026 /nfs/dbraw/zinc/16/10/26/203161026.db2.gz KJOSNNGCEIOJBG-KCJUWKMLSA-N 1 0 319.188 2.447 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000262580099 203338608 /nfs/dbraw/zinc/33/86/08/203338608.db2.gz QEZNCKQEDGKFAH-HJIKLVIJSA-N 1 0 302.777 2.002 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H](Oc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000093219735 193218356 /nfs/dbraw/zinc/21/83/56/193218356.db2.gz FSCIHQZUWWYABF-NXEZZACHSA-N 1 0 305.346 2.332 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000093252452 193221276 /nfs/dbraw/zinc/22/12/76/193221276.db2.gz VBWNOCJNSRENMK-LLVKDONJSA-N 1 0 302.415 2.341 10 0 DEAERO CC[C@@H](C)CN(CC)S(=O)(=O)c1cc(C[NH2+]C)n(CC)c1 ZINC000093265894 193222683 /nfs/dbraw/zinc/22/26/83/193222683.db2.gz VOBPCHJJJCTNBK-CYBMUJFWSA-N 1 0 315.483 2.284 10 0 DEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(F)c(C[NH3+])c1F ZINC000093265834 193222825 /nfs/dbraw/zinc/22/28/25/193222825.db2.gz CNZGXADTLBOSSO-JTQLQIEISA-N 1 0 320.405 2.480 10 0 DEAERO CCC(CC)N(CC(C)C)S(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000093326115 193233337 /nfs/dbraw/zinc/23/33/37/193233337.db2.gz HCQNSVTTWZRIAE-UHFFFAOYSA-N 1 0 314.455 2.203 10 0 DEAERO CCC(CC)N(CC(C)C)S(=O)(=O)c1n[nH]c(C)c1C[NH3+] ZINC000093326617 193233754 /nfs/dbraw/zinc/23/37/54/193233754.db2.gz DYOLGTHHIWTIHV-UHFFFAOYSA-N 1 0 316.471 2.012 10 0 DEAERO CCN1C(=[NH2+])NC[C@]1(C)c1ccc(F)c(Br)c1 ZINC000093357955 193237042 /nfs/dbraw/zinc/23/70/42/193237042.db2.gz XFIJQNGPYBVIGC-GFCCVEGCSA-N 1 0 300.175 2.454 10 0 DEAERO C[C@H](Cc1cccs1)N(C)S(=O)(=O)c1ccccc1C[NH3+] ZINC000093294592 193226015 /nfs/dbraw/zinc/22/60/15/193226015.db2.gz BJKOBZJTQXRHFF-GFCCVEGCSA-N 1 0 324.471 2.459 10 0 DEAERO C[NH2+][C@H](Cc1ccc(F)c(Br)c1)C(OC)OC ZINC000093304906 193227134 /nfs/dbraw/zinc/22/71/34/193227134.db2.gz WTDNWMKIEXKMLH-LLVKDONJSA-N 1 0 306.175 2.338 10 0 DEAERO C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(S(N)(=O)=O)cc1 ZINC000093495926 193259112 /nfs/dbraw/zinc/25/91/12/193259112.db2.gz PDJAQLPUGPBXTA-JSGCOSHPSA-N 1 0 311.451 2.057 10 0 DEAERO CC(C)C[C@H]1CN(CC(C)(C)S(C)(=O)=O)[C@H](C(C)C)C[NH2+]1 ZINC000093525676 193264076 /nfs/dbraw/zinc/26/40/76/193264076.db2.gz WFOOXNONHSIMMO-GJZGRUSLSA-N 1 0 318.527 2.154 10 0 DEAERO Cc1nn(CC[C@H]2CCC[C@]2([NH2+]C2CC2)C(N)=O)cc1Cl ZINC000093616001 193275591 /nfs/dbraw/zinc/27/55/91/193275591.db2.gz PBRXMDQJICFIGG-IAQYHMDHSA-N 1 0 310.829 2.011 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1ccccc1OC ZINC000093630007 193276876 /nfs/dbraw/zinc/27/68/76/193276876.db2.gz RZYLEGRCMAXPDZ-LRDDRELGSA-N 1 0 308.447 2.421 10 0 DEAERO CC[C@@H]1CCC[C@]([NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093699218 193293473 /nfs/dbraw/zinc/29/34/73/193293473.db2.gz OZNWHTMKKSXXGI-QLFBSQMISA-N 1 0 302.484 2.346 10 0 DEAERO CCCSC[C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)[NH2+]CC ZINC000093700443 193293989 /nfs/dbraw/zinc/29/39/89/193293989.db2.gz FVXGIOAJGRVIMY-ZIAGYGMSSA-N 1 0 322.540 2.169 10 0 DEAERO C[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccsc1 ZINC000093699918 193294100 /nfs/dbraw/zinc/29/41/00/193294100.db2.gz HJXPDFWJILKIOU-DGCLKSJQSA-N 1 0 302.465 2.070 10 0 DEAERO CCC[C@@](C)(C[NH2+]CC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701506 193294631 /nfs/dbraw/zinc/29/46/31/193294631.db2.gz OMCJVINFFIUQDG-LSDHHAIUSA-N 1 0 304.500 2.464 10 0 DEAERO C[C@]1(c2nc3cc(F)c(Br)cc3[nH]2)COC[C@@H]1[NH3+] ZINC000093728889 193298366 /nfs/dbraw/zinc/29/83/66/193298366.db2.gz GXPBDZPXMYQXRM-JQWIXIFHSA-N 1 0 314.158 2.080 10 0 DEAERO NC(=O)[C@@]1([NH3+])CCC[C@@H](Sc2ccc(C(F)(F)F)cn2)C1 ZINC000093777632 193304468 /nfs/dbraw/zinc/30/44/68/193304468.db2.gz XXJHPCPYGRAJQC-BXKDBHETSA-N 1 0 319.352 2.318 10 0 DEAERO Cc1nn([C@@H]2CCC[C@]([NH3+])(CO)C2)c(C)c1Br ZINC000093783885 193307863 /nfs/dbraw/zinc/30/78/63/193307863.db2.gz BBZQIGOGFWNDEQ-ZYHUDNBSSA-N 1 0 302.216 2.067 10 0 DEAERO CC(C)N(CC1CC[NH2+]CC1)S(=O)(=O)c1cccc(F)c1 ZINC000094024081 193339524 /nfs/dbraw/zinc/33/95/24/193339524.db2.gz AUJLTWILARKBGD-UHFFFAOYSA-N 1 0 314.426 2.224 10 0 DEAERO C[NH2+][C@]1(CO)CC[C@H](Sc2ccc(Br)cn2)C1 ZINC000093861019 193319839 /nfs/dbraw/zinc/31/98/39/193319839.db2.gz GJKLJZIEXWZOTN-CMPLNLGQSA-N 1 0 317.252 2.439 10 0 DEAERO NC(=O)[C@]1([NH2+]C2CC2)CC[C@@H](Sc2ccc(Cl)cn2)C1 ZINC000093854039 193320093 /nfs/dbraw/zinc/32/00/93/193320093.db2.gz KIAYUTZGLCQHDU-RISCZKNCSA-N 1 0 311.838 2.356 10 0 DEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000094023846 193339068 /nfs/dbraw/zinc/33/90/68/193339068.db2.gz SLEBIVYOHVXBJJ-UHFFFAOYSA-N 1 0 310.463 2.314 10 0 DEAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1F)[C@H]1CN(CC)CCO1 ZINC000093914683 193328094 /nfs/dbraw/zinc/32/80/94/193328094.db2.gz HHGVZMQQCAAYGW-DOMZBBRYSA-N 1 0 302.340 2.475 10 0 DEAERO CN1CCO[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000093938964 193330739 /nfs/dbraw/zinc/33/07/39/193330739.db2.gz WQWQTVJNLBBQAV-ZDUSSCGKSA-N 1 0 317.202 2.008 10 0 DEAERO CC(C)N(CC1CC[NH2+]CC1)S(=O)(=O)c1cccs1 ZINC000094024103 193339463 /nfs/dbraw/zinc/33/94/63/193339463.db2.gz TUVVWLKTDGQAII-UHFFFAOYSA-N 1 0 302.465 2.147 10 0 DEAERO [NH3+][C@H](Cc1nc2ccccc2s1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000094251531 193355150 /nfs/dbraw/zinc/35/51/50/193355150.db2.gz SNEWBGROWTUJNA-YRGRVCCFSA-N 1 0 303.431 2.029 10 0 DEAERO CCN1CCO[C@H]([C@@H](Cc2nc3ccccc3s2)[NH2+]C)C1 ZINC000094251585 193355704 /nfs/dbraw/zinc/35/57/04/193355704.db2.gz UOTUPFVNIXXWCO-KGLIPLIRSA-N 1 0 305.447 2.148 10 0 DEAERO C[NH2+][C@@H]1[C@@H](N2CCN(CC(F)(F)F)CC2)CCCC1(C)C ZINC000094275383 193355837 /nfs/dbraw/zinc/35/58/37/193355837.db2.gz FKCUWHDRNLUWCE-QWHCGFSZSA-N 1 0 307.404 2.333 10 0 DEAERO [NH3+]C1(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CCC1 ZINC000094293793 193356669 /nfs/dbraw/zinc/35/66/69/193356669.db2.gz PWAWOXCZJZTGGR-UHFFFAOYSA-N 1 0 305.769 2.131 10 0 DEAERO CC[C@H]([NH3+])Cc1cc(F)c(OCCOCCOC)c(F)c1 ZINC000094350694 193364310 /nfs/dbraw/zinc/36/43/10/193364310.db2.gz QEZJMOBCQASCMQ-LBPRGKRZSA-N 1 0 303.349 2.286 10 0 DEAERO CCC([NH3+])(CC)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000094243893 193354248 /nfs/dbraw/zinc/35/42/48/193354248.db2.gz QSBGEBBLXWDRBQ-UHFFFAOYSA-N 1 0 318.826 2.200 10 0 DEAERO C[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)C1(N(C)C)CCCC1 ZINC000094642930 193388752 /nfs/dbraw/zinc/38/87/52/193388752.db2.gz LQAMEEPWKDPYJP-QLFBSQMISA-N 1 0 316.511 2.052 10 0 DEAERO CC[NH2+][C@H](Cc1ccncc1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642134 193388768 /nfs/dbraw/zinc/38/87/68/193388768.db2.gz RAQQAJJZEADDDT-HRCADAONSA-N 1 0 310.463 2.206 10 0 DEAERO C[NH2+][C@H](Cc1nc(C)cs1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642176 193388824 /nfs/dbraw/zinc/38/88/24/193388824.db2.gz YNHDBWXHYMFOGS-FRRDWIJNSA-N 1 0 316.492 2.185 10 0 DEAERO CC(C)C[C@H](C[NH3+])C(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000094697668 193391431 /nfs/dbraw/zinc/39/14/31/193391431.db2.gz DKRZZCUMEKVZKD-SNVBAGLBSA-N 1 0 309.797 2.394 10 0 DEAERO CCOC(=O)CCC[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094373684 193366615 /nfs/dbraw/zinc/36/66/15/193366615.db2.gz WHGHWLURDCDGHX-ZDUSSCGKSA-N 1 0 301.452 2.364 10 0 DEAERO Cc1ccc(O[C@H]2CCO[C@@]3(CCSC3)C2)c(CC[NH3+])n1 ZINC000094408767 193367616 /nfs/dbraw/zinc/36/76/16/193367616.db2.gz MAEWWYODMRPJND-BBRMVZONSA-N 1 0 308.447 2.325 10 0 DEAERO COC(=O)[C@H](C)C[N@H+](C)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094410731 193368438 /nfs/dbraw/zinc/36/84/38/193368438.db2.gz SHMFQIJUPLZTFF-CHWSQXEVSA-N 1 0 301.452 2.172 10 0 DEAERO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCCS[C@@H]2C)CC1 ZINC000094477680 193372789 /nfs/dbraw/zinc/37/27/89/193372789.db2.gz ILUGPMZFJNBJTL-TZMCWYRMSA-N 1 0 320.524 2.064 10 0 DEAERO [NH3+]C1(c2nc(-c3nc([C@@H]4CSCCS4)no3)c[nH]2)CCC1 ZINC000094496073 193373986 /nfs/dbraw/zinc/37/39/86/193373986.db2.gz OBQHPYOGCWXYRU-VIFPVBQESA-N 1 0 323.447 2.319 10 0 DEAERO CCn1c(C[C@@H]([NH2+]C)[C@H]2CSCCO2)nc2ccccc21 ZINC000094503264 193374536 /nfs/dbraw/zinc/37/45/36/193374536.db2.gz XLJCNSMTMLCTEQ-UKRRQHHQSA-N 1 0 305.447 2.319 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(Cl)s1)[C@@H]1CN2CCN1CC2 ZINC000094510565 193376160 /nfs/dbraw/zinc/37/61/60/193376160.db2.gz PBLSQEIMPSRNGK-KGLIPLIRSA-N 1 0 313.898 2.312 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000094548611 193378531 /nfs/dbraw/zinc/37/85/31/193378531.db2.gz VIWKUXJODMVOTM-GWCFXTLKSA-N 1 0 311.223 2.187 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000094550198 193378808 /nfs/dbraw/zinc/37/88/08/193378808.db2.gz RWMKUYTZAVLHPS-NXEZZACHSA-N 1 0 322.352 2.063 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000094549864 193378851 /nfs/dbraw/zinc/37/88/51/193378851.db2.gz SZMUVZNUFYBVGU-PSASIEDQSA-N 1 0 315.186 2.398 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Br)c(F)c2)O1 ZINC000094572769 193381796 /nfs/dbraw/zinc/38/17/96/193381796.db2.gz RXHYPGAGAWKPFM-KWQFWETISA-N 1 0 317.158 2.033 10 0 DEAERO Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C[NH3+])O2)cc1C(F)(F)F ZINC000094570931 193381872 /nfs/dbraw/zinc/38/18/72/193381872.db2.gz RFQWMPSMPMTZCI-JQWIXIFHSA-N 1 0 302.296 2.459 10 0 DEAERO CCC(CC)(C[NH3+])Nc1nc2c(Br)cccn2n1 ZINC000094608311 193384556 /nfs/dbraw/zinc/38/45/56/193384556.db2.gz RXPVWSXLYFXHDA-UHFFFAOYSA-N 1 0 312.215 2.421 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1Nc1nc2ccc(Br)cn2n1 ZINC000094607525 193384592 /nfs/dbraw/zinc/38/45/92/193384592.db2.gz HSQFSOSGZMYDRM-VHSXEESVSA-N 1 0 310.199 2.174 10 0 DEAERO CC[NH2+][C@H](CCN1CCS(=O)CC1)c1ccc(C)c(F)c1 ZINC000094840731 193402634 /nfs/dbraw/zinc/40/26/34/193402634.db2.gz KKAWTHUKGWQGDW-MRXNPFEDSA-N 1 0 312.454 2.239 10 0 DEAERO C[NH2+]Cc1sccc1S(=O)(=O)NCc1cscc1C ZINC000094886990 193404756 /nfs/dbraw/zinc/40/47/56/193404756.db2.gz LBZUXFIUPWRUOQ-UHFFFAOYSA-N 1 0 316.473 2.316 10 0 DEAERO CCCNS(=O)(=O)c1ccccc1NC[C@H](CC)CC[NH3+] ZINC000094962396 193409836 /nfs/dbraw/zinc/40/98/36/193409836.db2.gz FTVANLIJSNUVTB-CYBMUJFWSA-N 1 0 313.467 2.162 10 0 DEAERO CCOc1nc2ccccc2nc1N(C)C[C@@H]1CCC[NH2+]C1 ZINC000095069674 193415491 /nfs/dbraw/zinc/41/54/91/193415491.db2.gz FVHREMXPPIOEKZ-CYBMUJFWSA-N 1 0 300.406 2.464 10 0 DEAERO O=[S@](C[C@@H]1CCC[NH2+]C1)c1nc2ccccc2nc1Cl ZINC000095069780 193415791 /nfs/dbraw/zinc/41/57/91/193415791.db2.gz KXRAJQIWDMERPB-SBKAZYGRSA-N 1 0 309.822 2.390 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)c2ccc(C[NH2+]C)cn2)C1 ZINC000094815049 193399913 /nfs/dbraw/zinc/39/99/13/193399913.db2.gz QMQDWECHMKEMCD-UHFFFAOYSA-N 1 0 311.451 2.002 10 0 DEAERO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000453093121 244924232 /nfs/dbraw/zinc/92/42/32/244924232.db2.gz SOJMFSWAEHZGPK-OAHLLOKOSA-N 1 0 307.401 2.442 10 0 DEAERO Cc1c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)[nH]c2c1C(=O)CCC2 ZINC000265023400 204350254 /nfs/dbraw/zinc/35/02/54/204350254.db2.gz YPSHLOVXMAENAE-DGCLKSJQSA-N 1 0 315.417 2.151 10 0 DEAERO C[NH+](C)CCCOc1ccc(C(N)=S)cc1Br ZINC000011822958 181708655 /nfs/dbraw/zinc/70/86/55/181708655.db2.gz XMXCAUYMZBUTGZ-UHFFFAOYSA-N 1 0 317.252 2.414 10 0 DEAERO CC[NH2+][C@@H](CCOCC)Cc1c(Br)c(C)nn1C ZINC000097279016 193703448 /nfs/dbraw/zinc/70/34/48/193703448.db2.gz RHPOSODLUDSWMC-NSHDSACASA-N 1 0 318.259 2.438 10 0 DEAERO CN(C)C(=O)C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000016339781 182040936 /nfs/dbraw/zinc/04/09/36/182040936.db2.gz KTISGRCPKVUEGJ-UHFFFAOYSA-N 1 0 312.417 2.173 10 0 DEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Br)s2)CCO1 ZINC000019266429 182112155 /nfs/dbraw/zinc/11/21/55/182112155.db2.gz HAJWAOYPOPXXLT-BDAKNGLRSA-N 1 0 305.241 2.231 10 0 DEAERO Cc1cc(Br)cc(C[NH2+]C2CC2)c1OCCO ZINC000160745526 197435254 /nfs/dbraw/zinc/43/52/54/197435254.db2.gz BISRVMLNGCMURI-UHFFFAOYSA-N 1 0 300.196 2.381 10 0 DEAERO COCCOCCOc1c(C)cc(Br)cc1C[NH3+] ZINC000160665998 197430095 /nfs/dbraw/zinc/43/00/95/197430095.db2.gz OHBUPJCOUAFQTH-UHFFFAOYSA-N 1 0 318.211 2.258 10 0 DEAERO O=S1(=O)C[C@H](c2ccccc2)[C@H]([NH2+]Cc2ccccc2)C1 ZINC000019794337 182150002 /nfs/dbraw/zinc/15/00/02/182150002.db2.gz VMIVEXMISUDXGH-IAGOWNOFSA-N 1 0 301.411 2.357 10 0 DEAERO COC[C@@H](C)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000019904363 182162539 /nfs/dbraw/zinc/16/25/39/182162539.db2.gz GREDTCPOAAMQQR-MRVPVSSYSA-N 1 0 304.184 2.288 10 0 DEAERO [NH3+]CCc1nn2c(nnc2C23CC4CC(CC(C4)C2)C3)s1 ZINC000020391869 182213313 /nfs/dbraw/zinc/21/33/13/182213313.db2.gz OIIIYYPHQBVTHH-UHFFFAOYSA-N 1 0 303.435 2.155 10 0 DEAERO [NH3+]CCc1nn2c(nnc2-c2cccc(Br)c2)s1 ZINC000020391797 182213929 /nfs/dbraw/zinc/21/39/29/182213929.db2.gz IPZZDHQTSHYRAE-UHFFFAOYSA-N 1 0 324.207 2.117 10 0 DEAERO [NH3+]C[C@@H]1CCN(c2ccccc2I)C1 ZINC000020480298 182222612 /nfs/dbraw/zinc/22/26/12/182222612.db2.gz QWNFSMFFFDGJCQ-VIFPVBQESA-N 1 0 302.159 2.076 10 0 DEAERO Fc1ccc(Br)c(C[NH2+]C[C@@H]2CCOCO2)c1 ZINC000160123160 197386937 /nfs/dbraw/zinc/38/69/37/197386937.db2.gz ZXZBAUUAQTZVJF-NSHDSACASA-N 1 0 304.159 2.441 10 0 DEAERO C[C@H]([NH3+])Cc1cccc(Cl)c1OCCCS(C)(=O)=O ZINC000160101286 197386306 /nfs/dbraw/zinc/38/63/06/197386306.db2.gz HMRYGQVMACWMOZ-JTQLQIEISA-N 1 0 305.827 2.043 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)CC1 ZINC000454666651 246046408 /nfs/dbraw/zinc/04/64/08/246046408.db2.gz WQVVDLPTDPJIGJ-CVEARBPZSA-N 1 0 323.481 2.175 10 0 DEAERO O=S(=O)(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000021503464 182275703 /nfs/dbraw/zinc/27/57/03/182275703.db2.gz MRJNJXKJLQJBRW-LLVKDONJSA-N 1 0 308.325 2.199 10 0 DEAERO Cc1cccc(N2C(=O)C[C@H]([NH2+]C3Cc4ccccc4C3)C2=O)c1 ZINC000021344471 182272554 /nfs/dbraw/zinc/27/25/54/182272554.db2.gz BCHBTQBRHOXZCD-SFHVURJKSA-N 1 0 320.392 2.384 10 0 DEAERO CO[C@@H]1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1(C)C ZINC000454784905 246148941 /nfs/dbraw/zinc/14/89/41/246148941.db2.gz KHDYMFXDQVTEBV-OAHLLOKOSA-N 1 0 309.454 2.095 10 0 DEAERO CCO[C@@H]1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)C[C@H]1C ZINC000454780773 246149794 /nfs/dbraw/zinc/14/97/94/246149794.db2.gz GLDJMBQROQYNKJ-HZPDHXFCSA-N 1 0 309.454 2.095 10 0 DEAERO C[C@@H](CNC(=O)NCC1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000454878795 246221413 /nfs/dbraw/zinc/22/14/13/246221413.db2.gz XHFUQGIOBCJEII-HNNXBMFYSA-N 1 0 318.465 2.152 10 0 DEAERO O=C(CC/C=C\c1ccccc1)NCC[NH+]1CCC(O)CC1 ZINC000456592364 247294207 /nfs/dbraw/zinc/29/42/07/247294207.db2.gz XUCIFCPJBLTVGK-YWEYNIOJSA-N 1 0 302.418 2.053 10 0 DEAERO CCc1nc(C(C)(C)NC(=O)C2C[NH+](C3CCCCC3)C2)no1 ZINC000457782870 248009594 /nfs/dbraw/zinc/00/95/94/248009594.db2.gz WAVFVNIRWLGBNO-UHFFFAOYSA-N 1 0 320.437 2.248 10 0 DEAERO Cn1cc2c(n1)CCC[C@@H]2NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458770919 248478417 /nfs/dbraw/zinc/47/84/17/248478417.db2.gz NRZDSWRSMHMQMP-AWEZNQCLSA-N 1 0 321.469 2.217 10 0 DEAERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc2ncnn21 ZINC000359658505 284615422 /nfs/dbraw/zinc/61/54/22/284615422.db2.gz PUVJHPKUAYIXMS-UHFFFAOYSA-N 1 0 317.437 2.169 10 0 DEAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000488928347 248817461 /nfs/dbraw/zinc/81/74/61/248817461.db2.gz GIDPHJKQRKCTSP-ZIAGYGMSSA-N 1 0 318.408 2.474 10 0 DEAERO COC(=O)c1cc(I)ccc1[C@H](C)[NH3+] ZINC000039951652 183023228 /nfs/dbraw/zinc/02/32/28/183023228.db2.gz SGJQYHJXPGZOPH-LURJTMIESA-N 1 0 305.115 2.098 10 0 DEAERO C[C@H]1C[NH+](CCC(=O)Nc2ccc(Cl)c(N)c2)C[C@H](C)O1 ZINC000040162711 183042716 /nfs/dbraw/zinc/04/27/16/183042716.db2.gz CHVQHULRGBHLEY-QWRGUYRKSA-N 1 0 311.813 2.360 10 0 DEAERO Cc1cc(C)c(C[NH3+])c(Sc2nnnn2C2CCCC2)n1 ZINC000040509876 183086232 /nfs/dbraw/zinc/08/62/32/183086232.db2.gz DHKKCNZBWJVUHJ-UHFFFAOYSA-N 1 0 304.423 2.410 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000040636055 183112430 /nfs/dbraw/zinc/11/24/30/183112430.db2.gz OOSDKIYWFIHCQV-NILFDRSVSA-N 1 0 308.809 2.380 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000040636057 183112610 /nfs/dbraw/zinc/11/26/10/183112610.db2.gz OOSDKIYWFIHCQV-BYCMXARLSA-N 1 0 308.809 2.380 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000040776924 183132088 /nfs/dbraw/zinc/13/20/88/183132088.db2.gz PHAALGXWVSRNQS-KBPBESRZSA-N 1 0 301.814 2.076 10 0 DEAERO COC(=O)c1sc2ccccc2c1NC(=O)C[NH2+]C1CC1 ZINC000040833339 183139671 /nfs/dbraw/zinc/13/96/71/183139671.db2.gz OCGLANATSORVTC-UHFFFAOYSA-N 1 0 304.371 2.378 10 0 DEAERO C[NH+]1CCC(OC(=O)c2ccc(Br)cc2N)CC1 ZINC000041019164 183156340 /nfs/dbraw/zinc/15/63/40/183156340.db2.gz RVJQYPTXHOMONC-UHFFFAOYSA-N 1 0 313.195 2.282 10 0 DEAERO [NH3+][C@@H]1CCCC[C@H]1N1C(=O)c2ccc(Br)cc2C1=O ZINC000041158127 183179593 /nfs/dbraw/zinc/17/95/93/183179593.db2.gz DTDOATFAYNHSLJ-VXGBXAGGSA-N 1 0 323.190 2.315 10 0 DEAERO CC(=O)c1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n(C)c1 ZINC000041999254 183227941 /nfs/dbraw/zinc/22/79/41/183227941.db2.gz UQSJKDITENKBJL-INIZCTEOSA-N 1 0 313.401 2.260 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2ccc(Cl)cc2Cl)C1 ZINC000042276962 183249194 /nfs/dbraw/zinc/24/91/94/183249194.db2.gz XGQSAZQUGSJYGJ-DGCLKSJQSA-N 1 0 317.216 2.329 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1O[C@H]1CCC[C@H]1O ZINC000042411604 183266202 /nfs/dbraw/zinc/26/62/02/183266202.db2.gz WSGHFGJYIXXDLR-NEPJUHHUSA-N 1 0 300.196 2.461 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1OCc1cnn(C)c1 ZINC000042411581 183266252 /nfs/dbraw/zinc/26/62/52/183266252.db2.gz LJMQEVATDRLCAB-UHFFFAOYSA-N 1 0 310.195 2.481 10 0 DEAERO C[C@@H]([NH3+])Cc1cccc(Br)c1OCc1ncon1 ZINC000042412823 183266880 /nfs/dbraw/zinc/26/68/80/183266880.db2.gz JHSGFWKCCWIAGT-MRVPVSSYSA-N 1 0 312.167 2.301 10 0 DEAERO COCCCN(CCOC)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000042421022 183268051 /nfs/dbraw/zinc/26/80/51/183268051.db2.gz ZEHGVUQXLUBFQR-HNNXBMFYSA-N 1 0 300.830 2.325 10 0 DEAERO C[C@@H](C[NH3+])CN(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000042455706 183271656 /nfs/dbraw/zinc/27/16/56/183271656.db2.gz JUPVHGBVTWKDLB-VIFPVBQESA-N 1 0 310.341 2.011 10 0 DEAERO COC[C@@H](C)N(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000042517704 183279368 /nfs/dbraw/zinc/27/93/68/183279368.db2.gz ZTHJWGFQOWEULB-MFKMUULPSA-N 1 0 301.228 2.416 10 0 DEAERO CN(Cc1cc(Br)cs1)C1(C[NH3+])CCOCC1 ZINC000042398374 183264311 /nfs/dbraw/zinc/26/43/11/183264311.db2.gz AGQFTTWNQAHRHW-UHFFFAOYSA-N 1 0 319.268 2.450 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)N(C)C ZINC000042945265 183319705 /nfs/dbraw/zinc/31/97/05/183319705.db2.gz YVUFUAKSUZBBDL-GLQYFDAESA-N 1 0 309.841 2.281 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(C)cc1 ZINC000042944051 183319975 /nfs/dbraw/zinc/31/99/75/183319975.db2.gz LBDWHTMEFZUGLX-BXUZGUMPSA-N 1 0 304.419 2.231 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)NC ZINC000042946411 183320346 /nfs/dbraw/zinc/32/03/46/183320346.db2.gz TYUACKBSMNSQOG-RRFJBIMHSA-N 1 0 309.841 2.329 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1ccc(Cl)cc1 ZINC000042951451 183320393 /nfs/dbraw/zinc/32/03/93/183320393.db2.gz KGSOKZBDVHMCCP-JVXZTZIISA-N 1 0 309.826 2.475 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCCC[C@@H]1C(N)=O ZINC000043015845 183327481 /nfs/dbraw/zinc/32/74/81/183327481.db2.gz RVYCIOCETNYYOA-ZNMIVQPWSA-N 1 0 309.841 2.458 10 0 DEAERO COCCN(CCOC)[C@H](c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000043014669 183327704 /nfs/dbraw/zinc/32/77/04/183327704.db2.gz DRQMPSHWFKJSFD-WFASDCNBSA-N 1 0 300.830 2.323 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCC[C@@H]1CO ZINC000043021123 183329917 /nfs/dbraw/zinc/32/99/17/183329917.db2.gz ATTICBLHDGMGOI-LERXQTSPSA-N 1 0 313.239 2.294 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CCO ZINC000043021011 183330005 /nfs/dbraw/zinc/33/00/05/183330005.db2.gz QIXXUEGVJNZVTH-STQMWFEESA-N 1 0 301.228 2.152 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCC[C@@H]1C(=O)NC ZINC000043052320 183332879 /nfs/dbraw/zinc/33/28/79/183332879.db2.gz NJGGABSHIPYHST-RRFJBIMHSA-N 1 0 309.841 2.329 10 0 DEAERO CCN([C@@H](C)COC)S(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000042782201 183308238 /nfs/dbraw/zinc/30/82/38/183308238.db2.gz APTZPBPICNWBPC-QWHCGFSZSA-N 1 0 314.451 2.013 10 0 DEAERO CC(C)N(CC(F)(F)F)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000042781318 183308495 /nfs/dbraw/zinc/30/84/95/183308495.db2.gz JUGHIIYSGCQHFA-LLVKDONJSA-N 1 0 316.389 2.121 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CCC[C@@H]1C(=O)N(C)C ZINC000043240628 183345685 /nfs/dbraw/zinc/34/56/85/183345685.db2.gz NTLGGNCZQGRULR-GZBFAFLISA-N 1 0 309.479 2.388 10 0 DEAERO COCCCN(CCOC)[C@@H](c1ccc(C)s1)[C@@H](C)[NH3+] ZINC000043242696 183346395 /nfs/dbraw/zinc/34/63/95/183346395.db2.gz ILLOVFKKIJWOPL-UKRRQHHQSA-N 1 0 300.468 2.430 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1sccc1C)N1CCC(C(=O)NC)CC1 ZINC000043248021 183347301 /nfs/dbraw/zinc/34/73/01/183347301.db2.gz MUXSEORDHDVPIF-ZIAGYGMSSA-N 1 0 309.479 2.293 10 0 DEAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301258 183352264 /nfs/dbraw/zinc/35/22/64/183352264.db2.gz YJUSQFCHDBYYAJ-SMDDNHRTSA-N 1 0 303.374 2.440 10 0 DEAERO COCCN(C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043092713 183335775 /nfs/dbraw/zinc/33/57/75/183335775.db2.gz FVRLYWZOQFQDOU-ZWNOBZJWSA-N 1 0 301.228 2.416 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N(CCO)C1CC1 ZINC000043093305 183336400 /nfs/dbraw/zinc/33/64/00/183336400.db2.gz DWMOPBJHIXHOCT-IINYFYTJSA-N 1 0 313.239 2.294 10 0 DEAERO COc1ccc([C@H]2CN(C(C)C)C(=O)C23CC[NH2+]CC3)cc1 ZINC000044137464 183396299 /nfs/dbraw/zinc/39/62/99/183396299.db2.gz ZMPOQFHPOOJGNP-MRXNPFEDSA-N 1 0 302.418 2.399 10 0 DEAERO C[NH+](C)CC(C)(C)CNC(=O)C1(C(N)=S)CCCCCC1 ZINC000044767922 183437573 /nfs/dbraw/zinc/43/75/73/183437573.db2.gz DJOBXOXMFJKXPI-UHFFFAOYSA-N 1 0 313.511 2.317 10 0 DEAERO CC(C)c1ccc(CNS(=O)(=O)C[C@@H]2CCCC[NH2+]2)cc1 ZINC000045047329 183477238 /nfs/dbraw/zinc/47/72/38/183477238.db2.gz OXWNFABYDWJSAG-INIZCTEOSA-N 1 0 310.463 2.372 10 0 DEAERO CO[C@H]1C[C@@H](CN(C)c2cnc3cc(F)c(F)cc3n2)[N@H+](C)C1 ZINC000284495386 218050662 /nfs/dbraw/zinc/05/06/62/218050662.db2.gz HQZPVLWHINAOQQ-QWRGUYRKSA-N 1 0 322.359 2.063 10 0 DEAERO COCc1cc(N2CCC[NH2+]CC2)nc(Nc2ccccc2)n1 ZINC000045948976 183538766 /nfs/dbraw/zinc/53/87/66/183538766.db2.gz ICFPXCHJFQXVDT-UHFFFAOYSA-N 1 0 313.405 2.166 10 0 DEAERO CC(=O)Nc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000104983864 194061282 /nfs/dbraw/zinc/06/12/82/194061282.db2.gz RJBACPWEMCFIOP-INIZCTEOSA-N 1 0 316.405 2.347 10 0 DEAERO CC(C)(C)c1ncc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000105022234 194064231 /nfs/dbraw/zinc/06/42/31/194064231.db2.gz TVPNWVIHGSGTAK-AWEZNQCLSA-N 1 0 317.437 2.476 10 0 DEAERO Clc1ncccc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000105802442 194132488 /nfs/dbraw/zinc/13/24/88/194132488.db2.gz VBCYKPGDCSGWCF-ZDUSSCGKSA-N 1 0 303.797 2.284 10 0 DEAERO C[C@@H](c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1)C1CC1 ZINC000273815461 211084682 /nfs/dbraw/zinc/08/46/82/211084682.db2.gz KLXQWZBXYUXTCS-GFCCVEGCSA-N 1 0 313.405 2.397 10 0 DEAERO Cc1ncc(CN(C)C2CC[NH+](CCn3cccn3)CC2)s1 ZINC000105863541 194149342 /nfs/dbraw/zinc/14/93/42/194149342.db2.gz YIKLWNGMPSHJKV-UHFFFAOYSA-N 1 0 319.478 2.244 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000105881131 194155587 /nfs/dbraw/zinc/15/55/87/194155587.db2.gz JEZRIUSDAUJFGW-GJZGRUSLSA-N 1 0 300.406 2.047 10 0 DEAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105883546 194158017 /nfs/dbraw/zinc/15/80/17/194158017.db2.gz HIXRQGTXFMJADT-CQSZACIVSA-N 1 0 316.405 2.208 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000105895055 194159849 /nfs/dbraw/zinc/15/98/49/194159849.db2.gz DUQUFBMLEJZOEA-OAHLLOKOSA-N 1 0 304.438 2.186 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1coc(-c2cccs2)n1 ZINC000106284656 194193746 /nfs/dbraw/zinc/19/37/46/194193746.db2.gz NNWVOJVMENSWIM-LBPRGKRZSA-N 1 0 305.403 2.156 10 0 DEAERO CC[C@H]1CN(Cc2ccc(OC)c(F)c2)CC[N@@H+]1CCOC ZINC000106115860 194188067 /nfs/dbraw/zinc/18/80/67/194188067.db2.gz IICCGPICRIATEM-HNNXBMFYSA-N 1 0 310.413 2.377 10 0 DEAERO CCOc1ccc(CNC(=O)NC2CC[NH+](C)CC2)cc1F ZINC000106328260 194197381 /nfs/dbraw/zinc/19/73/81/194197381.db2.gz NVXUXQOYSMWDLW-UHFFFAOYSA-N 1 0 309.385 2.118 10 0 DEAERO [NH3+]C[C@@H](c1ccc2c(c1)OCCCO2)N1CCCSCC1 ZINC000048896015 183694632 /nfs/dbraw/zinc/69/46/32/183694632.db2.gz BHIUUUCFWFKCFV-AWEZNQCLSA-N 1 0 308.447 2.287 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)[C@@H](C)COC)cc1 ZINC000049039077 183704487 /nfs/dbraw/zinc/70/44/87/183704487.db2.gz REXDCHPGWVQJMV-STQMWFEESA-N 1 0 314.451 2.013 10 0 DEAERO CCC[C@@H](C)NC(=O)COc1c(Cl)cc(C[NH3+])cc1OC ZINC000049287163 183723871 /nfs/dbraw/zinc/72/38/71/183723871.db2.gz VJRDVJGDPDDUNH-SNVBAGLBSA-N 1 0 314.813 2.491 10 0 DEAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)N(Cc1cccs1)C1CC1 ZINC000049645173 183750940 /nfs/dbraw/zinc/75/09/40/183750940.db2.gz GYGIAZUJSUOVKT-LBPRGKRZSA-N 1 0 314.476 2.042 10 0 DEAERO C[C@@H](NS(=O)(=O)C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000049646070 183751573 /nfs/dbraw/zinc/75/15/73/183751573.db2.gz HUGUFMBYGKFHEJ-VXGBXAGGSA-N 1 0 316.854 2.320 10 0 DEAERO Cc1nc(C)c([C@@H](C)NS(=O)(=O)CCC[NH2+]C(C)C)s1 ZINC000049646256 183751804 /nfs/dbraw/zinc/75/18/04/183751804.db2.gz YDCGBUGLGNKHIT-LLVKDONJSA-N 1 0 319.496 2.128 10 0 DEAERO Cc1ccc(N(C)S(=O)(=O)c2ccc(CC[NH3+])cc2)cc1 ZINC000050010216 183767283 /nfs/dbraw/zinc/76/72/83/183767283.db2.gz GKAOAAXVBZXNMZ-UHFFFAOYSA-N 1 0 304.415 2.321 10 0 DEAERO O=C(C[NH2+][C@@H]1CCCOC1)Nc1ccc(Br)cc1 ZINC000109546807 194272654 /nfs/dbraw/zinc/27/26/54/194272654.db2.gz QNMGCPLMSTWSBF-GFCCVEGCSA-N 1 0 313.195 2.156 10 0 DEAERO CCCNS(=O)(=O)c1ccc(OCCC[NH2+]C(C)C)cc1 ZINC000051872141 183839254 /nfs/dbraw/zinc/83/92/54/183839254.db2.gz MBKYUZGXTBFYSJ-UHFFFAOYSA-N 1 0 314.451 2.142 10 0 DEAERO CCOc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000110085844 194309294 /nfs/dbraw/zinc/30/92/94/194309294.db2.gz WQGOGNKUTPSNDT-CQSZACIVSA-N 1 0 321.421 2.318 10 0 DEAERO CCC[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1ccccc1OC ZINC000052980346 183882904 /nfs/dbraw/zinc/88/29/04/183882904.db2.gz DNYOHWHDQLKXKF-AWEZNQCLSA-N 1 0 313.463 2.288 10 0 DEAERO CCCCCCOC[C@@H](O)C[NH2+]C1(CO)CCC(C)CC1 ZINC000053118311 183888764 /nfs/dbraw/zinc/88/87/64/183888764.db2.gz SWCKVTXKLCJQFA-CGZBRXJRSA-N 1 0 301.471 2.475 10 0 DEAERO CC(C)(C)[NH2+]C[C@H]1CCCN1c1ccccc1S(C)(=O)=O ZINC000053695531 183910263 /nfs/dbraw/zinc/91/02/63/183910263.db2.gz BJDDILYGQLNTGA-CYBMUJFWSA-N 1 0 310.463 2.447 10 0 DEAERO Brc1cnc(O[C@@H]2CCOC2)c(C[NH2+]C2CC2)c1 ZINC000110532515 194336842 /nfs/dbraw/zinc/33/68/42/194336842.db2.gz BXXYYWGPWQXOHH-GFCCVEGCSA-N 1 0 313.195 2.264 10 0 DEAERO C[NH2+][C@H](C)C(=O)Nc1c(C)cc(Br)cc1OC ZINC000054074587 183923165 /nfs/dbraw/zinc/92/31/65/183923165.db2.gz FJMWXWPEQZIVDS-MRVPVSSYSA-N 1 0 301.184 2.313 10 0 DEAERO CN(CC1CCCC1)S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000110846081 194362897 /nfs/dbraw/zinc/36/28/97/194362897.db2.gz XLNQZJPNPANTFB-UHFFFAOYSA-N 1 0 308.447 2.143 10 0 DEAERO CCC[NH2+][C@@H](c1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000111037643 194386064 /nfs/dbraw/zinc/38/60/64/194386064.db2.gz GDJSXROCKVKNDR-QMTHXVAHSA-N 1 0 303.374 2.440 10 0 DEAERO CCCN[C@@](C)(CCC[N@H+](CC)CCOCC)C(=O)OC ZINC000111122032 194392404 /nfs/dbraw/zinc/39/24/04/194392404.db2.gz OBBINRXHTSLAPM-INIZCTEOSA-N 1 0 302.459 2.056 10 0 DEAERO CCCNc1ccccc1S(=O)(=O)N(C)CCC[NH+](C)C ZINC000111151273 194396409 /nfs/dbraw/zinc/39/64/09/194396409.db2.gz LOJGFHKXRJNVIY-UHFFFAOYSA-N 1 0 313.467 2.081 10 0 DEAERO COCC[NH+](CCOC)Cc1ccc(Br)c(N)c1 ZINC000159322647 197344567 /nfs/dbraw/zinc/34/45/67/197344567.db2.gz XYCPLSKDNVOCKM-UHFFFAOYSA-N 1 0 317.227 2.126 10 0 DEAERO Cc1ccc2[nH]c(SC[C@](C)([NH2+]C(C)C)C(N)=O)nc2c1 ZINC000061440843 184170887 /nfs/dbraw/zinc/17/08/87/184170887.db2.gz AJPMYAWKZAYPOB-HNNXBMFYSA-N 1 0 306.435 2.205 10 0 DEAERO CC(C)[C@H](C[NH+](C)C)Nc1nc(Cl)nc(N2CCCC2)n1 ZINC000061539298 184173550 /nfs/dbraw/zinc/17/35/50/184173550.db2.gz APRKESFXCMRWGN-NSHDSACASA-N 1 0 312.849 2.123 10 0 DEAERO C[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1ccc(Cl)s1 ZINC000061592658 184175901 /nfs/dbraw/zinc/17/59/01/184175901.db2.gz IEXFIKDKECWERS-XRGYYRRGSA-N 1 0 304.828 2.004 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1cccc(C)c1 ZINC000061594348 184176039 /nfs/dbraw/zinc/17/60/39/184176039.db2.gz YBUSJPSJVPYBFE-STQMWFEESA-N 1 0 306.435 2.470 10 0 DEAERO CCn1c(S[C@H](c2ccc(Cl)cc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594195 184176115 /nfs/dbraw/zinc/17/61/15/184176115.db2.gz DSUUUGMFNQHTFV-KWQFWETISA-N 1 0 312.826 2.425 10 0 DEAERO CCCn1c(S[C@@H](c2cccc(C)c2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594817 184176396 /nfs/dbraw/zinc/17/63/96/184176396.db2.gz SNTDSJVFLZNNIJ-WCQYABFASA-N 1 0 306.435 2.470 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C(C)C)c1ccncc1 ZINC000061595088 184176439 /nfs/dbraw/zinc/17/64/39/184176439.db2.gz ALXQJRVPYJZCLA-VXGBXAGGSA-N 1 0 307.423 2.118 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C(C)C)c1ccccn1 ZINC000061595247 184176522 /nfs/dbraw/zinc/17/65/22/184176522.db2.gz LUGGPUVSMIGTQX-CMPLNLGQSA-N 1 0 307.423 2.118 10 0 DEAERO CC[NH2+][C@@H]1CCCC[C@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000061947764 184197789 /nfs/dbraw/zinc/19/77/89/184197789.db2.gz WACWTWHFDHFEKA-UONOGXRCSA-N 1 0 307.404 2.335 10 0 DEAERO CCC[NH2+][C@@H]1CCC[C@@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000061947632 184198094 /nfs/dbraw/zinc/19/80/94/184198094.db2.gz URAGABNBBWAPOK-ZIAGYGMSSA-N 1 0 307.404 2.335 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N(C)c1cccc(C[NH3+])c1 ZINC000061950493 184198385 /nfs/dbraw/zinc/19/83/85/184198385.db2.gz QADIFFOPOUKYGS-UHFFFAOYSA-N 1 0 308.378 2.418 10 0 DEAERO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000554724332 291778965 /nfs/dbraw/zinc/77/89/65/291778965.db2.gz CYXLSISRKBEYBZ-SJORKVTESA-N 1 0 322.474 2.442 10 0 DEAERO COCCCN(C)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000062029386 184202367 /nfs/dbraw/zinc/20/23/67/184202367.db2.gz HKOLVNYXBCLCFZ-CYBMUJFWSA-N 1 0 301.228 2.417 10 0 DEAERO C[C@@H](CN1C(=S)N=NC1c1cccnc1)C[NH+]1CCCC1 ZINC000062079528 184204530 /nfs/dbraw/zinc/20/45/30/184204530.db2.gz DGTJDCNCNPMVBD-GFCCVEGCSA-N 1 0 303.435 2.361 10 0 DEAERO COCCC[N@H+]1[C@H](C)CN(C(=O)Cc2cccs2)C[C@@H]1C ZINC000062090795 184205516 /nfs/dbraw/zinc/20/55/16/184205516.db2.gz AZKNGCUMGGCFFM-OKILXGFUSA-N 1 0 310.463 2.248 10 0 DEAERO CCOC(=O)[C@H](CC[N@H+](CCOC)[C@@H](C)CC)NC(C)C ZINC000062522830 184241675 /nfs/dbraw/zinc/24/16/75/184241675.db2.gz IXPIFUWPZXSJCM-GJZGRUSLSA-N 1 0 302.459 2.053 10 0 DEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1O[C@H]1CCS(=O)(=O)C1 ZINC000062746696 184251717 /nfs/dbraw/zinc/25/17/17/184251717.db2.gz DUDKALOEFQQUFK-JQWIXIFHSA-N 1 0 301.383 2.062 10 0 DEAERO COCC[NH2+]Cc1ccc(Br)cc1-n1cccn1 ZINC000062738483 184252071 /nfs/dbraw/zinc/25/20/71/184252071.db2.gz XPAURIGFTUOPIA-UHFFFAOYSA-N 1 0 310.195 2.371 10 0 DEAERO CNC(=O)c1cc(NC(=O)C2(C)CC[NH2+]CC2)ccc1Cl ZINC000062840445 184255510 /nfs/dbraw/zinc/25/55/10/184255510.db2.gz ISOUUEZPBAPDLV-UHFFFAOYSA-N 1 0 309.797 2.028 10 0 DEAERO CC[C@]1(C(=O)Nc2ccc(Cl)cc2C(=O)OC)CC[NH2+]C1 ZINC000062891962 184258538 /nfs/dbraw/zinc/25/85/38/184258538.db2.gz VZAIZCFTHSXJDU-HNNXBMFYSA-N 1 0 310.781 2.455 10 0 DEAERO C[C@@]1(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)CC[NH2+]C1 ZINC000062894680 184259043 /nfs/dbraw/zinc/25/90/43/184259043.db2.gz ZQNUTAVWKJSTBY-XJKSGUPXSA-N 1 0 308.447 2.255 10 0 DEAERO CNc1ccc(Cl)c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000062943583 184261928 /nfs/dbraw/zinc/26/19/28/184261928.db2.gz QPJMKCRAGYJUHW-LLVKDONJSA-N 1 0 308.813 2.087 10 0 DEAERO Brc1cccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)c1 ZINC000062669864 184247199 /nfs/dbraw/zinc/24/71/99/184247199.db2.gz OSXRKMCHILIDMZ-UHFFFAOYSA-N 1 0 307.195 2.249 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H]2CCCCC[C@H]2[NH3+])c(C)s1 ZINC000063213380 184278432 /nfs/dbraw/zinc/27/84/32/184278432.db2.gz PZSHTXLLDHEBBE-VXGBXAGGSA-N 1 0 302.465 2.303 10 0 DEAERO CCOc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000063213709 184278720 /nfs/dbraw/zinc/27/87/20/184278720.db2.gz ZNJZZBGIZPRGRC-LSDHHAIUSA-N 1 0 312.435 2.024 10 0 DEAERO CCN(CC)c1ccc(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000062996936 184264985 /nfs/dbraw/zinc/26/49/85/184264985.db2.gz MDACIYQEWJWTAC-OAHLLOKOSA-N 1 0 311.451 2.027 10 0 DEAERO CCCN(CCCS(C)(=O)=O)C1(C[NH3+])CCC(C)CC1 ZINC000063014581 184266310 /nfs/dbraw/zinc/26/63/10/184266310.db2.gz ROVYBVYVBLXOTN-UHFFFAOYSA-N 1 0 304.500 2.041 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(NS(=O)(=O)CCOCC)cc1 ZINC000063153860 184274429 /nfs/dbraw/zinc/27/44/29/184274429.db2.gz TYQRSEVUFDCYPJ-GFCCVEGCSA-N 1 0 300.424 2.135 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1CC(=O)NCc1ccccc1Cl ZINC000063168691 184275538 /nfs/dbraw/zinc/27/55/38/184275538.db2.gz ITNSTRJUUMRVHW-CQSZACIVSA-N 1 0 309.841 2.030 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(Br)cn1C ZINC000063167491 184275644 /nfs/dbraw/zinc/27/56/44/184275644.db2.gz OMQXKJWUPITWDN-NSHDSACASA-N 1 0 314.227 2.002 10 0 DEAERO CC(C)n1cc(Br)cc1C(=O)N[C@H]1CCC[C@H]1[NH3+] ZINC000063172539 184276039 /nfs/dbraw/zinc/27/60/39/184276039.db2.gz ZEZKKNPXHRTWBU-MNOVXSKESA-N 1 0 314.227 2.441 10 0 DEAERO COCCC[N@@H+]1CCCC[C@]12CC(=O)N(Cc1ccccn1)C2 ZINC000063527356 184284994 /nfs/dbraw/zinc/28/49/94/184284994.db2.gz WQYCYTCUXMVREU-GOSISDBHSA-N 1 0 317.433 2.075 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000112560981 194487004 /nfs/dbraw/zinc/48/70/04/194487004.db2.gz ZQQMBXITSFUUAL-YPMHNXCESA-N 1 0 306.381 2.401 10 0 DEAERO O=C(Nc1ccccc1OC[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000066152652 184393849 /nfs/dbraw/zinc/39/38/49/184393849.db2.gz BIIKZSQPGFCWQR-KBPBESRZSA-N 1 0 304.390 2.183 10 0 DEAERO CCOc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000113231833 194568741 /nfs/dbraw/zinc/56/87/41/194568741.db2.gz WTOQTMDRQQRDIB-ZFWWWQNUSA-N 1 0 318.417 2.403 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)C(C)(C)c2ccccc2Cl)CCO1 ZINC000116783204 194768140 /nfs/dbraw/zinc/76/81/40/194768140.db2.gz YBZOKLNZTIHQHX-ZDUSSCGKSA-N 1 0 324.852 2.407 10 0 DEAERO CC[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)C1CCOCC1 ZINC000538321088 285032029 /nfs/dbraw/zinc/03/20/29/285032029.db2.gz SRBUIWARWYPQAL-LBPRGKRZSA-N 1 0 323.462 2.365 10 0 DEAERO COc1cc(C[N@H+](C)C[C@@H]2CCCOC2)cc2c1OCCO2 ZINC000119738416 195028250 /nfs/dbraw/zinc/02/82/50/195028250.db2.gz QNOWKRNFWCTYBV-ZDUSSCGKSA-N 1 0 307.390 2.325 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000119941984 195066997 /nfs/dbraw/zinc/06/69/97/195066997.db2.gz IVOWSKUKSAEREW-GFCCVEGCSA-N 1 0 316.323 2.290 10 0 DEAERO CN1CCC[C@@H](N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000538712659 285052105 /nfs/dbraw/zinc/05/21/05/285052105.db2.gz KQAYYIBTWLQRNY-DLBZAZTESA-N 1 0 307.482 2.195 10 0 DEAERO COc1ccc(C2([NH2+]CC3CCS(=O)(=O)CC3)CC2)cc1 ZINC000539260169 285072619 /nfs/dbraw/zinc/07/26/19/285072619.db2.gz QKDBGIPCEWITIR-UHFFFAOYSA-N 1 0 309.431 2.099 10 0 DEAERO COc1cc(C[NH2+][C@@]2(C)CCOC2)cc(Br)c1O ZINC000120145740 195105592 /nfs/dbraw/zinc/10/55/92/195105592.db2.gz NRUHNCMFZMBRHF-ZDUSSCGKSA-N 1 0 316.195 2.432 10 0 DEAERO COc1cc(C[NH2+][C@]2(C)CCOC2)cc(Br)c1O ZINC000120145876 195105708 /nfs/dbraw/zinc/10/57/08/195105708.db2.gz NRUHNCMFZMBRHF-CYBMUJFWSA-N 1 0 316.195 2.432 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2sc3cccnc3c2N)CC[N@@H+]1C ZINC000159160446 197331739 /nfs/dbraw/zinc/33/17/39/197331739.db2.gz XYIHBEQQYLHICU-VHSXEESVSA-N 1 0 304.419 2.091 10 0 DEAERO COCCOCCCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000159132480 197330725 /nfs/dbraw/zinc/33/07/25/197330725.db2.gz WMCADDFVGXIERZ-HNNXBMFYSA-N 1 0 303.349 2.031 10 0 DEAERO CCCNc1nc(Cl)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000159183107 197333579 /nfs/dbraw/zinc/33/35/79/197333579.db2.gz AJMIDNNTRJWBBB-GHMZBOCLSA-N 1 0 310.833 2.386 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NC2(C)CCCC2)cc(C)c1F ZINC000159122399 197329241 /nfs/dbraw/zinc/32/92/41/197329241.db2.gz FNXCOLHZOBCCKM-UHFFFAOYSA-N 1 0 314.426 2.465 10 0 DEAERO COCCOCCCC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000159110361 197328729 /nfs/dbraw/zinc/32/87/29/197328729.db2.gz YGBJYNHAOYJGIZ-HNNXBMFYSA-N 1 0 301.814 2.406 10 0 DEAERO Cc1cc(S(=O)(=O)NC2CC2)cc(C[NH2+]C(C)(C)C)c1F ZINC000159083543 197325464 /nfs/dbraw/zinc/32/54/64/197325464.db2.gz KOKPBUJJSLPMPA-UHFFFAOYSA-N 1 0 314.426 2.463 10 0 DEAERO Cc1cc(S(=O)(=O)NCc2cccs2)cc(C[NH3+])c1F ZINC000159076567 197324490 /nfs/dbraw/zinc/32/44/90/197324490.db2.gz XDEFTDGMVGQLME-UHFFFAOYSA-N 1 0 314.407 2.133 10 0 DEAERO CCCCN(C)S(=O)(=O)c1cc(C)c(F)c(C[NH2+]C)c1 ZINC000159053478 197322784 /nfs/dbraw/zinc/32/27/84/197322784.db2.gz IJEOQWBPRHDPSN-UHFFFAOYSA-N 1 0 302.415 2.274 10 0 DEAERO Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2)n1 ZINC000159039652 197321857 /nfs/dbraw/zinc/32/18/57/197321857.db2.gz NETCHGXEXYAJBV-KRWDZBQOSA-N 1 0 312.417 2.015 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)COc1ccccc1C(F)(F)F ZINC000540515256 285119380 /nfs/dbraw/zinc/11/93/80/285119380.db2.gz DOTLUMGLXWRPDY-UHFFFAOYSA-N 1 0 318.339 2.494 10 0 DEAERO O=C(Nc1nnc(Cc2ccc(F)cc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000158935858 197312568 /nfs/dbraw/zinc/31/25/68/197312568.db2.gz BELULZCKCLYEGA-LLVKDONJSA-N 1 0 320.393 2.206 10 0 DEAERO CC[C@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000158997727 197317762 /nfs/dbraw/zinc/31/77/62/197317762.db2.gz VNNKWKYAAFHLOO-HZMBPMFUSA-N 1 0 318.389 2.021 10 0 DEAERO CC[C@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1cc(F)ccc1F ZINC000158994507 197317061 /nfs/dbraw/zinc/31/70/61/197317061.db2.gz CSEVTYVLVQPCOI-GWCFXTLKSA-N 1 0 318.389 2.021 10 0 DEAERO C[NH2+]C[C@@H]1CCCN(C(=O)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000158984925 197316341 /nfs/dbraw/zinc/31/63/41/197316341.db2.gz LSNDXLPVUDGXFV-AWEZNQCLSA-N 1 0 314.433 2.262 10 0 DEAERO CSCC[C@H]([NH3+])C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000158922311 197311826 /nfs/dbraw/zinc/31/18/26/197311826.db2.gz KHKSGRUPZWPHLL-BYPYZUCNSA-N 1 0 314.279 2.401 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)c1ccccc1C)[C@@H]1CCOC1 ZINC000158829121 197304778 /nfs/dbraw/zinc/30/47/78/197304778.db2.gz WCKVQINBLONLTJ-CABCVRRESA-N 1 0 311.447 2.173 10 0 DEAERO COc1cccc(C2=CC[N@@H+]([C@H]3CCCN(C)C3=O)CC2)c1 ZINC000540911765 285137238 /nfs/dbraw/zinc/13/72/38/285137238.db2.gz LFQFWRMNQKZFTP-KRWDZBQOSA-N 1 0 300.402 2.405 10 0 DEAERO COc1cc(F)cc2sc(NC(=O)[C@H]3CCC[NH2+]C3)nc21 ZINC000158624034 197289138 /nfs/dbraw/zinc/28/91/38/197289138.db2.gz CIFFMBUXASUHMF-QMMMGPOBSA-N 1 0 309.366 2.382 10 0 DEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)c1cscn1 ZINC000158577378 197284684 /nfs/dbraw/zinc/28/46/84/197284684.db2.gz VZPDJAOGHRVLRS-MRVPVSSYSA-N 1 0 315.240 2.451 10 0 DEAERO COc1c([C@@H](C[NH3+])N(C)[C@@H](C)c2cccs2)c(C)nn1C ZINC000158387033 197268325 /nfs/dbraw/zinc/26/83/25/197268325.db2.gz UHPLNKWRIZYIPP-NWDGAFQWSA-N 1 0 308.451 2.491 10 0 DEAERO C[C@H]1C[C@H](Nc2nc3c(Br)cccn3n2)CC[N@@H+]1C ZINC000158439054 197272214 /nfs/dbraw/zinc/27/22/14/197272214.db2.gz BZIBQFXSHZBHIF-VHSXEESVSA-N 1 0 324.226 2.386 10 0 DEAERO Cc1nnc([C@@H](NC(=O)c2ccc(C[NH3+])cc2)c2ccccc2)[nH]1 ZINC000158130853 197246788 /nfs/dbraw/zinc/24/67/88/197246788.db2.gz UYVNIPCBCMVKIM-INIZCTEOSA-N 1 0 321.384 2.091 10 0 DEAERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCOCC1CCC1 ZINC000557993834 291881646 /nfs/dbraw/zinc/88/16/46/291881646.db2.gz JOGIARHXIYJBGK-GOEBONIOSA-N 1 0 309.454 2.071 10 0 DEAERO CCn1ncc(Br)c1[C@H](O)CC[NH+](CC)CC ZINC000157688286 197207884 /nfs/dbraw/zinc/20/78/84/197207884.db2.gz JUDRLGPHRQTVJS-LLVKDONJSA-N 1 0 304.232 2.431 10 0 DEAERO CCN[C@@](C)(CCCC[N@H+](C)CCOC(C)C)C(=O)OC ZINC000157493367 197191480 /nfs/dbraw/zinc/19/14/80/197191480.db2.gz PNLDSTIWGDAJAV-INIZCTEOSA-N 1 0 302.459 2.055 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](COc2cc(F)cc(Br)c2)O1 ZINC000157413556 197185753 /nfs/dbraw/zinc/18/57/53/197185753.db2.gz JRMVVCVIQWJGGY-QWRGUYRKSA-N 1 0 304.159 2.473 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](COc2cc(F)cc(Br)c2)O1 ZINC000157413701 197185342 /nfs/dbraw/zinc/18/53/42/197185342.db2.gz JRMVVCVIQWJGGY-WDEREUQCSA-N 1 0 304.159 2.473 10 0 DEAERO CC[NH2+]C[C@@H](Cc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000157309001 197178332 /nfs/dbraw/zinc/17/83/32/197178332.db2.gz ORUQKFMKVWUFMI-NWDGAFQWSA-N 1 0 317.401 2.168 10 0 DEAERO CC[NH2+]C[C@](C)(O)COc1cc(F)cc(Br)c1 ZINC000157229070 197172029 /nfs/dbraw/zinc/17/20/29/197172029.db2.gz XTSIIGZABBWESR-LBPRGKRZSA-N 1 0 306.175 2.328 10 0 DEAERO CC[NH2+]C[C@](C)(O)COc1ccc(Br)c(C)c1 ZINC000157056885 197159465 /nfs/dbraw/zinc/15/94/65/197159465.db2.gz OJVOTESEHOJAGA-ZDUSSCGKSA-N 1 0 302.212 2.497 10 0 DEAERO Cn1nncc1[C@H]([NH3+])c1ccc(Br)cc1Cl ZINC000157064751 197159102 /nfs/dbraw/zinc/15/91/02/197159102.db2.gz FSNKOGFESKKMKM-SNVBAGLBSA-N 1 0 301.575 2.279 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NCC(C)(C)SC)cc1 ZINC000156887225 197147424 /nfs/dbraw/zinc/14/74/24/197147424.db2.gz AJCCNILNJDBCCS-UHFFFAOYSA-N 1 0 316.492 2.216 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@]1(O)C1(C[NH3+])CCCCCCC1 ZINC000156881323 197147156 /nfs/dbraw/zinc/14/71/56/197147156.db2.gz VBOZPCKRXKIFLJ-HIFRSBDPSA-N 1 0 303.468 2.004 10 0 DEAERO CSC(C)(C)CNS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000156873759 197146568 /nfs/dbraw/zinc/14/65/68/197146568.db2.gz UVFXZGUYNPPEDG-SNVBAGLBSA-N 1 0 302.465 2.126 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1F ZINC000156805513 197141935 /nfs/dbraw/zinc/14/19/35/197141935.db2.gz QHOTWRVZYUSHBI-UKRRQHHQSA-N 1 0 323.412 2.167 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000156616784 197127518 /nfs/dbraw/zinc/12/75/18/197127518.db2.gz GHWJQTUXZKJACH-LSDHHAIUSA-N 1 0 319.453 2.095 10 0 DEAERO C[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1nnc2n1CCCC2 ZINC000156347452 197106360 /nfs/dbraw/zinc/10/63/60/197106360.db2.gz LOMZIGUVYAUMKE-XUXIUFHCSA-N 1 0 319.453 2.053 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(S(N)(=O)=O)cc1 ZINC000156340764 197106056 /nfs/dbraw/zinc/10/60/56/197106056.db2.gz DFMDNSHNAFYWEZ-YPMHNXCESA-N 1 0 314.476 2.270 10 0 DEAERO CC(C)[C@](C)(C[NH3+])Nc1ccccc1S(=O)(=O)C(F)F ZINC000155983761 197078143 /nfs/dbraw/zinc/07/81/43/197078143.db2.gz MNJRCWMQDDAWPF-ZDUSSCGKSA-N 1 0 306.378 2.468 10 0 DEAERO CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000155478913 197058289 /nfs/dbraw/zinc/05/82/89/197058289.db2.gz HKIGVUAKTLKEIO-PBHICJAKSA-N 1 0 317.433 2.192 10 0 DEAERO CCOc1cccnc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000155206244 197032092 /nfs/dbraw/zinc/03/20/92/197032092.db2.gz FEWXSBKLIYMUGM-KGLIPLIRSA-N 1 0 303.406 2.037 10 0 DEAERO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000155100591 197021693 /nfs/dbraw/zinc/02/16/93/197021693.db2.gz XNXJCDOGFHSOIV-SWLSCSKDSA-N 1 0 304.438 2.217 10 0 DEAERO COC[C@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000542741378 285246487 /nfs/dbraw/zinc/24/64/87/285246487.db2.gz VQJBJJXGPSBJSD-HNNXBMFYSA-N 1 0 311.401 2.106 10 0 DEAERO Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1CC[NH+]1CCCCC1 ZINC000184745078 291925205 /nfs/dbraw/zinc/92/52/05/291925205.db2.gz ZHJWIVZISVURHD-QGZVFWFLSA-N 1 0 319.424 2.093 10 0 DEAERO Cc1ccc([C@@H](CNC(=O)c2cccc3ncnn32)[NH+](C)C)cc1 ZINC000542938930 285264709 /nfs/dbraw/zinc/26/47/09/285264709.db2.gz DNIIBDPELNKKMK-MRXNPFEDSA-N 1 0 323.400 2.070 10 0 DEAERO CCc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000120678312 195214434 /nfs/dbraw/zinc/21/44/34/195214434.db2.gz FNITWOFKRXTLOX-CZUORRHYSA-N 1 0 317.433 2.129 10 0 DEAERO COCC[N@@H+]1CCN(Cc2c(Cl)nc3ccccn32)C[C@@H]1C ZINC000120785911 195237816 /nfs/dbraw/zinc/23/78/16/195237816.db2.gz DURCBFPFKUEOLF-ZDUSSCGKSA-N 1 0 322.840 2.140 10 0 DEAERO CC(C)C[N@@H+]1CC[C@@H]2O[C@@H](C(=O)NCc3ccco3)CC[C@@H]21 ZINC000248270051 257107620 /nfs/dbraw/zinc/10/76/20/257107620.db2.gz ZBORGBDABBBCRF-HRCADAONSA-N 1 0 306.406 2.174 10 0 DEAERO CCc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](C)C[C@H]3COC)cc1 ZINC000248127591 257108697 /nfs/dbraw/zinc/10/86/97/257108697.db2.gz MFTJSWDKIFPHSA-HKUYNNGSSA-N 1 0 316.445 2.289 10 0 DEAERO Cc1ccccc1C[N@H+]1CC[C@@H]2C[C@@H](C(=O)N(C)C)O[C@H]2C1 ZINC000247999070 257111441 /nfs/dbraw/zinc/11/14/41/257111441.db2.gz NEVOQVPCNHNNTH-PVAVHDDUSA-N 1 0 302.418 2.063 10 0 DEAERO COC[C@@H]1CNC(=O)[C@H]2CC[N@H+](Cc3ccc(F)cc3)CC[C@@H]12 ZINC000247816999 257117415 /nfs/dbraw/zinc/11/74/15/257117415.db2.gz BSUSRBNTMXXWAU-XIRDDKMYSA-N 1 0 320.408 2.046 10 0 DEAERO O=C(NCc1ccco1)[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2C2CCC2)O1 ZINC000247467857 257119546 /nfs/dbraw/zinc/11/95/46/257119546.db2.gz DDTXNYFCAHAVBT-JYJNAYRXSA-N 1 0 304.390 2.070 10 0 DEAERO CC1=C(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CCCO1 ZINC000121583934 195310070 /nfs/dbraw/zinc/31/00/70/195310070.db2.gz IOUHFKDXXYUYPP-INIZCTEOSA-N 1 0 302.418 2.360 10 0 DEAERO Cc1cc(F)ccc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000121852228 195361500 /nfs/dbraw/zinc/36/15/00/195361500.db2.gz WUIUCDNYPLREDX-CQSZACIVSA-N 1 0 323.412 2.165 10 0 DEAERO O=C(CC[NH+]1CCC(n2cncn2)CC1)c1ccc(F)cc1 ZINC000121959108 195382293 /nfs/dbraw/zinc/38/22/93/195382293.db2.gz OABCVXWOTRNCOO-UHFFFAOYSA-N 1 0 302.353 2.327 10 0 DEAERO CC[C@@H](OC)[C@@H](Cc1c(Br)c(C)nn1C)[NH2+]C ZINC000124360568 195632665 /nfs/dbraw/zinc/63/26/65/195632665.db2.gz CDBLYFHVMYBNJJ-MWLCHTKSSA-N 1 0 304.232 2.047 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(c2cc(Br)nc(C)n2)C1 ZINC000124394582 195637158 /nfs/dbraw/zinc/63/71/58/195637158.db2.gz GDSSJKFNAIVIMT-LLVKDONJSA-N 1 0 313.243 2.468 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH2+]C)[C@H](CC)OC)c1Br ZINC000124487762 195646703 /nfs/dbraw/zinc/64/67/03/195646703.db2.gz HSBFNTZXKWQXBH-JQWIXIFHSA-N 1 0 318.259 2.301 10 0 DEAERO Cc1ccccc1S(=O)(=O)NCC[C@H]([NH3+])c1ccccc1 ZINC000124596100 195658516 /nfs/dbraw/zinc/65/85/16/195658516.db2.gz FDQKKAAOAPKIBT-HNNXBMFYSA-N 1 0 304.415 2.363 10 0 DEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@]1(CCO)CCOC1 ZINC000125759021 195782493 /nfs/dbraw/zinc/78/24/93/195782493.db2.gz JMZTYTGZMLQITG-MSOLQXFVSA-N 1 0 305.418 2.451 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)NCC2CCCC2)cc1Cl ZINC000126196194 195819053 /nfs/dbraw/zinc/81/90/53/195819053.db2.gz OTRNJUOTBQLOLG-UHFFFAOYSA-N 1 0 302.827 2.267 10 0 DEAERO CC[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc2c(c1)OCCO2 ZINC000125564670 195764239 /nfs/dbraw/zinc/76/42/39/195764239.db2.gz QARRJJAZVNHKGR-CRAIPNDOSA-N 1 0 321.417 2.288 10 0 DEAERO C[C@@H](NC(=O)c1cccc2ncnn21)[C@H](c1ccccc1)[NH+](C)C ZINC000545317733 285422335 /nfs/dbraw/zinc/42/23/35/285422335.db2.gz UZZCRAATBLICTP-CXAGYDPISA-N 1 0 323.400 2.151 10 0 DEAERO CSCCC[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000328621384 533562741 /nfs/dbraw/zinc/56/27/41/533562741.db2.gz AJSYIDQTLYINOB-GOEBONIOSA-N 1 0 310.511 2.488 10 0 DEAERO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@H]1COCCO1 ZINC000358913792 285421378 /nfs/dbraw/zinc/42/13/78/285421378.db2.gz JBXNIEKHUZYZIN-DOTOQJQBSA-N 1 0 313.401 2.255 10 0 DEAERO CCOc1ccccc1CCC(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000058924115 132491577 /nfs/dbraw/zinc/49/15/77/132491577.db2.gz CCCUDUPOSMQCRO-OAHLLOKOSA-N 1 0 304.434 2.476 10 0 DEAERO COC[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000174625917 132510147 /nfs/dbraw/zinc/51/01/47/132510147.db2.gz RWWDWHAGMJHUIG-DLBZAZTESA-N 1 0 315.417 2.030 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)c1ccncc1 ZINC000245565780 132567639 /nfs/dbraw/zinc/56/76/39/132567639.db2.gz SEXFOPYYPKEBJH-ZBFHGGJFSA-N 1 0 316.449 2.237 10 0 DEAERO Cc1nc(CCCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cs1 ZINC000246112540 132576712 /nfs/dbraw/zinc/57/67/12/132576712.db2.gz CIUCJIBWPLWYAJ-DOMZBBRYSA-N 1 0 307.463 2.469 10 0 DEAERO C[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)[NH2+]CCc1ncn(C)c12 ZINC000725242529 542770285 /nfs/dbraw/zinc/77/02/85/542770285.db2.gz CCOAJLOSKMXREB-SJCJKPOMSA-N 1 0 320.437 2.181 10 0 DEAERO CC(C)CC(=O)Nc1ncc(CN2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725273004 542770954 /nfs/dbraw/zinc/77/09/54/542770954.db2.gz XDKQFWKXAYEYBX-AAEUAGOBSA-N 1 0 310.467 2.297 10 0 DEAERO CC[NH+]1CCC(n2nccc2NC(=O)c2cccc(O)c2)CC1 ZINC000357435077 133078031 /nfs/dbraw/zinc/07/80/31/133078031.db2.gz SNYFZQCPAKOXTD-UHFFFAOYSA-N 1 0 314.389 2.498 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CCOC(C)(C)[C@H]2C)CC1 ZINC000357864193 133105664 /nfs/dbraw/zinc/10/56/64/133105664.db2.gz YXRMBLFEFCMCPE-CQSZACIVSA-N 1 0 311.470 2.317 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)CC1 ZINC000357908520 133108431 /nfs/dbraw/zinc/10/84/31/133108431.db2.gz RUCIEDQDIRVTPP-JKSUJKDBSA-N 1 0 321.465 2.237 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(c2nc(C)no2)CC1 ZINC000357920910 133109648 /nfs/dbraw/zinc/10/96/48/133109648.db2.gz FADBNRUNMOYUHU-AWEZNQCLSA-N 1 0 320.437 2.133 10 0 DEAERO COc1ccc(CNC(=O)NCC[N@H+]2CC=C(C)CC2)cc1F ZINC000358191373 133126988 /nfs/dbraw/zinc/12/69/88/133126988.db2.gz OZZSCCHZGAZROX-UHFFFAOYSA-N 1 0 321.396 2.286 10 0 DEAERO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000358191857 133127291 /nfs/dbraw/zinc/12/72/91/133127291.db2.gz PDLHMOPHUMYSBQ-ROUUACIJSA-N 1 0 314.429 2.352 10 0 DEAERO C[C@H](NCc1ccn(C)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000358246757 133131399 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OC[C@H]1C[N@H+](Cc2cnc3cnccn23)CC[C@H]1c1ccccc1 ZINC000377702777 133341943 /nfs/dbraw/zinc/34/19/43/133341943.db2.gz PJLXDGOLWYYHJJ-AEFFLSMTSA-N 1 0 322.412 2.327 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccoc1C1CC1 ZINC000373846339 133406182 /nfs/dbraw/zinc/40/61/82/133406182.db2.gz TVIXCAPGLVWHQS-KBMXLJTQSA-N 1 0 318.417 2.481 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cncc(Br)c1 ZINC000563446687 292057860 /nfs/dbraw/zinc/05/78/60/292057860.db2.gz XGCPCGTZNATJPS-YGOYTEALSA-N 1 0 312.211 2.162 10 0 DEAERO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000564760382 292108946 /nfs/dbraw/zinc/10/89/46/292108946.db2.gz HHVAIXXYCQXWND-AGIUHOORSA-N 1 0 314.451 2.011 10 0 DEAERO CCc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C ZINC000548847927 285806736 /nfs/dbraw/zinc/80/67/36/285806736.db2.gz OKZAGKUNTLCJIW-OAHLLOKOSA-N 1 0 305.470 2.470 10 0 DEAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000564859473 292115880 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C[NH2+]C1CCN(C(=O)C2(c3ccc(C)cc3)CCOCC2)CC1 ZINC000179137249 144871069 /nfs/dbraw/zinc/87/10/69/144871069.db2.gz XSKYDNDSVVBSNM-UHFFFAOYSA-N 1 0 316.445 2.254 10 0 DEAERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(O)c(OC)c1)CC2 ZINC000180086773 144883797 /nfs/dbraw/zinc/88/37/97/144883797.db2.gz FQNKSMFTKZPHSV-IAGOWNOFSA-N 1 0 321.417 2.153 10 0 DEAERO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ncc[nH]3)CCN2C2CC2)c1 ZINC000180377340 144888133 /nfs/dbraw/zinc/88/81/33/144888133.db2.gz LGJUKEIZNVRCMJ-SJLPKXTDSA-N 1 0 312.417 2.486 10 0 DEAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180660373 144892779 /nfs/dbraw/zinc/89/27/79/144892779.db2.gz UEGUCJOCKAJBNI-KGLIPLIRSA-N 1 0 300.406 2.438 10 0 DEAERO COc1cc([C@@H](C)[NH2+]CCCn2ccnn2)cc(OC)c1OC ZINC000181983907 144912207 /nfs/dbraw/zinc/91/22/07/144912207.db2.gz VBTVGOUVTCDEOQ-GFCCVEGCSA-N 1 0 320.393 2.045 10 0 DEAERO O=C(CCSCc1ccccn1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186516675 144983767 /nfs/dbraw/zinc/98/37/67/144983767.db2.gz ZTQARXWWRSKGRC-CQSZACIVSA-N 1 0 319.474 2.448 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186802467 144989108 /nfs/dbraw/zinc/98/91/08/144989108.db2.gz FQSCDJKDMKASSO-GUYCJALGSA-N 1 0 320.481 2.203 10 0 DEAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCCC(N)=O)C1 ZINC000187509578 145000202 /nfs/dbraw/zinc/00/02/02/145000202.db2.gz REQVRTGANLZRKN-CQSZACIVSA-N 1 0 311.470 2.049 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(-n3ccnc3)nc2)C1 ZINC000187908308 145004614 /nfs/dbraw/zinc/00/46/14/145004614.db2.gz VSALUCWHQQWYTF-RHSMWYFYSA-N 1 0 300.406 2.250 10 0 DEAERO CC1(C)CC[C@@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)O1 ZINC000188208911 145008763 /nfs/dbraw/zinc/00/87/63/145008763.db2.gz BQCXNSGJLIQWJN-HNNXBMFYSA-N 1 0 309.454 2.214 10 0 DEAERO CCCCOc1ccc(CCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188345091 145010663 /nfs/dbraw/zinc/01/06/63/145010663.db2.gz MGMWUMXFJQFVKZ-GOEBONIOSA-N 1 0 308.397 2.224 10 0 DEAERO O=C(c1cn2ccnc2s1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000188567754 145013864 /nfs/dbraw/zinc/01/38/64/145013864.db2.gz PDYXRCVXDCJKQI-ZDUSSCGKSA-N 1 0 318.446 2.344 10 0 DEAERO CC(C)c1nn(C)c(Cl)c1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188650472 145015129 /nfs/dbraw/zinc/01/51/29/145015129.db2.gz JLIBQNSQJOGSJX-UHFFFAOYSA-N 1 0 310.829 2.117 10 0 DEAERO COc1ccc(O)cc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000188863450 145018542 /nfs/dbraw/zinc/01/85/42/145018542.db2.gz QQUUGTGBJXYMJQ-UHFFFAOYSA-N 1 0 306.406 2.251 10 0 DEAERO COc1ccc(O)cc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000189106205 145022481 /nfs/dbraw/zinc/02/24/81/145022481.db2.gz JPKZOORLVPEZEV-ZDUSSCGKSA-N 1 0 306.406 2.251 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189666889 145031600 /nfs/dbraw/zinc/03/16/00/145031600.db2.gz GWONURCMNHKADK-HNNXBMFYSA-N 1 0 305.422 2.460 10 0 DEAERO CC(C)c1cccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000189786568 145034056 /nfs/dbraw/zinc/03/40/56/145034056.db2.gz HIDKFENLNIAECU-UHFFFAOYSA-N 1 0 315.417 2.055 10 0 DEAERO CCOC[C@@H](NC(=O)NCc1cccnc1N(C)C)C(C)C ZINC000190064581 145037403 /nfs/dbraw/zinc/03/74/03/145037403.db2.gz BIFAOBVEMNKHRR-CQSZACIVSA-N 1 0 308.426 2.008 10 0 DEAERO CCc1nn(C)c(CC)c1CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000190135558 145038133 /nfs/dbraw/zinc/03/81/33/145038133.db2.gz HUBGRKIJWOSMHU-AWEZNQCLSA-N 1 0 322.497 2.180 10 0 DEAERO Cc1nc(CC(C)C)oc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000190427760 145042414 /nfs/dbraw/zinc/04/24/14/145042414.db2.gz CVMFDUUSOUVZTA-GXTWGEPZSA-N 1 0 305.422 2.490 10 0 DEAERO CO[C@H](C)[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000190704593 145046375 /nfs/dbraw/zinc/04/63/75/145046375.db2.gz YRQZHFPIVASJHX-QWHCGFSZSA-N 1 0 313.467 2.245 10 0 DEAERO CO[C@@H](C)[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000190704612 145046394 /nfs/dbraw/zinc/04/63/94/145046394.db2.gz YRQZHFPIVASJHX-STQMWFEESA-N 1 0 313.467 2.245 10 0 DEAERO CCn1cc([C@H]2CN(CCC[NH+]3CCCCC3)CCO2)cn1 ZINC000190808671 145048761 /nfs/dbraw/zinc/04/87/61/145048761.db2.gz DQRCMZHOBCFSJJ-QGZVFWFLSA-N 1 0 306.454 2.152 10 0 DEAERO O=C(Nc1nccs1)[C@H]1CCCN1C[C@H](O)C1CCCCC1 ZINC000190870589 145049289 /nfs/dbraw/zinc/04/92/89/145049289.db2.gz NSZBZOMSIOWNEQ-KGLIPLIRSA-N 1 0 323.462 2.487 10 0 DEAERO CCCC[N@H+](C[C@@H](O)CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000190859970 145049427 /nfs/dbraw/zinc/04/94/27/145049427.db2.gz RWNJSKBEBBNFEM-CVEARBPZSA-N 1 0 317.495 2.217 10 0 DEAERO Oc1cccc(CN2CC[NH+](C[C@H](O)CC3CCCC3)CC2)c1 ZINC000190882486 145049733 /nfs/dbraw/zinc/04/97/33/145049733.db2.gz CWGUTGONVVULBB-LJQANCHMSA-N 1 0 318.461 2.451 10 0 DEAERO COC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000191496412 145059396 /nfs/dbraw/zinc/05/93/96/145059396.db2.gz XKQKXPROJPTSAY-IRXDYDNUSA-N 1 0 309.450 2.352 10 0 DEAERO COC(=O)CN1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000191681507 145062960 /nfs/dbraw/zinc/06/29/60/145062960.db2.gz WJWVLKMBQCAJMI-UHFFFAOYSA-N 1 0 302.418 2.291 10 0 DEAERO Cn1c2ccc(C[NH2+]Cc3cccc(CO)c3)cc2sc1=O ZINC000192546293 145074831 /nfs/dbraw/zinc/07/48/31/145074831.db2.gz LYNRYLVYNZNEBN-UHFFFAOYSA-N 1 0 314.410 2.382 10 0 DEAERO CCc1noc([C@@H](C)N2CCN(c3cc[nH+]cc3C)CC2)n1 ZINC000192570052 145074968 /nfs/dbraw/zinc/07/49/68/145074968.db2.gz WZLWPDHWIQBSOA-CYBMUJFWSA-N 1 0 301.394 2.219 10 0 DEAERO O=C(Nc1ccccc1)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000192651291 145076100 /nfs/dbraw/zinc/07/61/00/145076100.db2.gz XPXDZFWFWZZGQT-INIZCTEOSA-N 1 0 315.417 2.006 10 0 DEAERO Cn1ccnc1CC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000193050787 145081615 /nfs/dbraw/zinc/08/16/15/145081615.db2.gz RTAMHOABYJVSSZ-QGZVFWFLSA-N 1 0 307.438 2.218 10 0 DEAERO Cn1ccnc1CC1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000193050802 145081671 /nfs/dbraw/zinc/08/16/71/145081671.db2.gz RTAMHOABYJVSSZ-KRWDZBQOSA-N 1 0 307.438 2.218 10 0 DEAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)N(C)Cc1cccc(F)c1 ZINC000193128399 145083094 /nfs/dbraw/zinc/08/30/94/145083094.db2.gz OMCOFKWIFSNNSK-HEHGZKQESA-N 1 0 308.397 2.330 10 0 DEAERO O=C(NC1CC1)[C@@H](c1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246270706 145096567 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C[C@@]1(c2ccccc2)CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261695720 145217987 /nfs/dbraw/zinc/21/79/87/145217987.db2.gz DNFQWGOKPHQZQA-QGZVFWFLSA-N 1 0 302.418 2.075 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)CSC(F)(F)F ZINC000261756561 145223457 /nfs/dbraw/zinc/22/34/57/145223457.db2.gz PTSFIEOPISDHAF-UHFFFAOYSA-N 1 0 306.353 2.269 10 0 DEAERO Cn1nc(C2CCCCC2)cc1NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261777060 145224981 /nfs/dbraw/zinc/22/49/81/145224981.db2.gz FYYJTPYWEDMCLR-MRXNPFEDSA-N 1 0 320.437 2.160 10 0 DEAERO c1c(CN2CC[NH2+]C[C@@H]2c2cccnc2)[nH]nc1-c1cccnc1 ZINC000261778014 145225305 /nfs/dbraw/zinc/22/53/05/145225305.db2.gz SYWZMMBCVCVCTO-GOSISDBHSA-N 1 0 320.400 2.013 10 0 DEAERO Cc1ccn(-c2ccc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)cc2)n1 ZINC000261784836 145225667 /nfs/dbraw/zinc/22/56/67/145225667.db2.gz HRDHBXDKNGHFPS-INIZCTEOSA-N 1 0 312.417 2.380 10 0 DEAERO COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261805946 145228046 /nfs/dbraw/zinc/22/80/46/145228046.db2.gz RKBKEQBHIYYIJE-IYPIGGPWSA-N 1 0 302.418 2.359 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1ccc2c[nH]nc2c1 ZINC000261823509 145230727 /nfs/dbraw/zinc/23/07/27/145230727.db2.gz HOMYKGBMAMUOKU-SUYBPPKGSA-N 1 0 314.389 2.034 10 0 DEAERO Cc1ccn2cc(C(=O)N(CC[NH3+])CCc3ccccc3)nc2c1 ZINC000261830530 145232110 /nfs/dbraw/zinc/23/21/10/145232110.db2.gz YZCPNHWUDREPCB-UHFFFAOYSA-N 1 0 322.412 2.286 10 0 DEAERO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000261852665 145233621 /nfs/dbraw/zinc/23/36/21/145233621.db2.gz VMWJMCDOMJNXON-DLBZAZTESA-N 1 0 313.376 2.191 10 0 DEAERO CS(=O)(=O)c1ccc(NC[C@H]2CCC[C@@H]([NH3+])C2)c(F)c1 ZINC000261850734 145234030 /nfs/dbraw/zinc/23/40/30/145234030.db2.gz WTVWAAOWJNTJAZ-WDEREUQCSA-N 1 0 300.399 2.159 10 0 DEAERO Cc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1OCC(F)F ZINC000261866289 145235704 /nfs/dbraw/zinc/23/57/04/145235704.db2.gz NOTPXOKBHPBLNE-UHFFFAOYSA-N 1 0 314.332 2.085 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cccc2c1OCCO2 ZINC000261874723 145236493 /nfs/dbraw/zinc/23/64/93/145236493.db2.gz OLXYUQMINWZROE-ZAQWFSBCSA-N 1 0 316.401 2.094 10 0 DEAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(F)cc1Cl ZINC000261894244 145238534 /nfs/dbraw/zinc/23/85/34/145238534.db2.gz QVUKMBKQOBIYQK-VIFPVBQESA-N 1 0 300.761 2.164 10 0 DEAERO COc1ccc(C)cc1NC(=O)[C@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261925049 145242921 /nfs/dbraw/zinc/24/29/21/145242921.db2.gz ZDWYQLVYRFYWNC-XJKSGUPXSA-N 1 0 319.449 2.390 10 0 DEAERO C[C@@]1(C[NH3+])CCN(C(=O)c2ccccc2OC[C@@H]2CCCO2)C1 ZINC000261932528 145244379 /nfs/dbraw/zinc/24/43/79/145244379.db2.gz ITHNGIKPFWRZFP-KSSFIOAISA-N 1 0 318.417 2.055 10 0 DEAERO Clc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261975755 145248857 /nfs/dbraw/zinc/24/88/57/145248857.db2.gz RCCQBNXYKJPPND-BRWVUGGUSA-N 1 0 324.852 2.466 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)CC1CCCCC1 ZINC000261999482 145251811 /nfs/dbraw/zinc/25/18/11/145251811.db2.gz LFBQNINYMMIRMU-UHFFFAOYSA-N 1 0 324.490 2.400 10 0 DEAERO CCC(=O)N(C)c1ccccc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262022288 145253480 /nfs/dbraw/zinc/25/34/80/145253480.db2.gz OUXBFXVWHJEONT-HNNXBMFYSA-N 1 0 317.433 2.259 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)Oc1ccc(F)cc1 ZINC000262036134 145255314 /nfs/dbraw/zinc/25/53/14/145255314.db2.gz XZZUHVNNGBRWEK-BNEJOLLZSA-N 1 0 322.424 2.340 10 0 DEAERO CN(C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)C1CCCCCCC1 ZINC000262034935 145255373 /nfs/dbraw/zinc/25/53/73/145255373.db2.gz XVNINBFPNXAKEN-SJORKVTESA-N 1 0 318.465 2.294 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)Oc1ccccc1F ZINC000262038501 145256291 /nfs/dbraw/zinc/25/62/91/145256291.db2.gz YHJIZKSHNRFTOK-YALNPMBYSA-N 1 0 322.424 2.340 10 0 DEAERO Cc1cc2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3c3cnn(C)c3)ccc2[nH]1 ZINC000262047254 145256837 /nfs/dbraw/zinc/25/68/37/145256837.db2.gz ZGDSCVMLHSVQQA-CVEARBPZSA-N 1 0 323.400 2.152 10 0 DEAERO Cc1c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)oc2c1C(=O)CCC2 ZINC000262046187 145256889 /nfs/dbraw/zinc/25/68/89/145256889.db2.gz ULKOQDDNDBPRKC-FUNVUKJBSA-N 1 0 316.401 2.462 10 0 DEAERO [NH3+]Cc1ccc(-c2noc(CN3CCCCCCC3=O)n2)cc1 ZINC000262053624 145257769 /nfs/dbraw/zinc/25/77/69/145257769.db2.gz QKVPWTJHSRKBMO-UHFFFAOYSA-N 1 0 314.389 2.488 10 0 DEAERO COC(=O)c1cc(CN(CC[NH3+])CCc2ccccc2)oc1C ZINC000262079578 145259637 /nfs/dbraw/zinc/25/96/37/145259637.db2.gz SWRZQHHKBZUMDO-UHFFFAOYSA-N 1 0 316.401 2.378 10 0 DEAERO CCc1ccc([C@@H]2C[NH2+]CCN2CC(=O)NC(C)(C)C)cc1 ZINC000262201771 145269781 /nfs/dbraw/zinc/26/97/81/145269781.db2.gz KMVNMRIFUDMGAT-INIZCTEOSA-N 1 0 303.450 2.110 10 0 DEAERO C[C@@H]1CCC[C@@H](CCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262281450 145273575 /nfs/dbraw/zinc/27/35/75/145273575.db2.gz NYWODAJYNSXIBQ-CVEARBPZSA-N 1 0 318.465 2.294 10 0 DEAERO COc1ccc(CNC(=O)[C@@H](C)C2C[NH2+]C2)c(C(F)(F)F)c1 ZINC000262318297 145276004 /nfs/dbraw/zinc/27/60/04/145276004.db2.gz CMQWLHCXCTUIDX-VIFPVBQESA-N 1 0 316.323 2.186 10 0 DEAERO C[C@@H](C[NH3+])C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000262508453 145288936 /nfs/dbraw/zinc/28/89/36/145288936.db2.gz JIYUYGAVPWIIFC-GXFFZTMASA-N 1 0 316.323 2.200 10 0 DEAERO C[C@H](NC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000262542373 145291274 /nfs/dbraw/zinc/29/12/74/145291274.db2.gz RGUBAVOLXIBAHT-WFASDCNBSA-N 1 0 307.413 2.062 10 0 DEAERO C[C@@H](c1ccccc1)N(C)C(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000262538378 145291407 /nfs/dbraw/zinc/29/14/07/145291407.db2.gz QSFZRPKOGARIBB-HLLBOEOZSA-N 1 0 303.450 2.265 10 0 DEAERO Cc1ccc(N(C)C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000262549305 145292009 /nfs/dbraw/zinc/29/20/09/145292009.db2.gz SCPCUPDXQQPULI-HDMKZQKVSA-N 1 0 302.418 2.490 10 0 DEAERO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1c1ccco1 ZINC000262729736 145301894 /nfs/dbraw/zinc/30/18/94/145301894.db2.gz HWASZVRUAZYMTQ-HIFRSBDPSA-N 1 0 314.389 2.378 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000262763317 145304015 /nfs/dbraw/zinc/30/40/15/145304015.db2.gz JZOPUZFAYOMDRZ-KCJUWKMLSA-N 1 0 323.245 2.270 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262786583 145304813 /nfs/dbraw/zinc/30/48/13/145304813.db2.gz MPUKHMSDCVFGLP-GUYCJALGSA-N 1 0 320.481 2.203 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000262790514 145305261 /nfs/dbraw/zinc/30/52/61/145305261.db2.gz ROEAUSOFEHEFKH-KCJUWKMLSA-N 1 0 323.245 2.270 10 0 DEAERO CC(C)n1cc2c(n1)C[C@H](NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])CC2 ZINC000262923981 145311819 /nfs/dbraw/zinc/31/18/19/145311819.db2.gz HDEYDRHBEFTOSD-VKJFTORMSA-N 1 0 318.465 2.345 10 0 DEAERO COc1ccccc1[C@H](C)Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263134836 145328184 /nfs/dbraw/zinc/32/81/84/145328184.db2.gz BYPHWRUWFIKEJZ-TZMCWYRMSA-N 1 0 316.405 2.001 10 0 DEAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H](O)c1ccc(Cl)s1 ZINC000263197894 145335467 /nfs/dbraw/zinc/33/54/67/145335467.db2.gz IRQYZCFNDDUTBT-RBZYPMLTSA-N 1 0 316.854 2.459 10 0 DEAERO Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])C2)[nH]n1 ZINC000263215718 145337171 /nfs/dbraw/zinc/33/71/71/145337171.db2.gz KWDNLJHNNMBXGM-JKIFEVAISA-N 1 0 304.438 2.332 10 0 DEAERO Cc1cc(Cl)ccc1OCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263228970 145338346 /nfs/dbraw/zinc/33/83/46/145338346.db2.gz NDBLOUJATSJYMZ-LBPRGKRZSA-N 1 0 322.796 2.187 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000358662516 147177048 /nfs/dbraw/zinc/17/70/48/147177048.db2.gz MMBUEPPZPZPBRK-HNNXBMFYSA-N 1 0 311.470 2.175 10 0 DEAERO CC[C@H](CN[C@H](C(=O)OC)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000358810125 147210586 /nfs/dbraw/zinc/21/05/86/147210586.db2.gz JLAYXYJAGGEVQD-MSOLQXFVSA-N 1 0 316.445 2.365 10 0 DEAERO CCOCc1nc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)no1 ZINC000359490972 147336365 /nfs/dbraw/zinc/33/63/65/147336365.db2.gz BYPBCICYEKRKBS-OLZOCXBDSA-N 1 0 324.425 2.048 10 0 DEAERO CCOCc1nc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)no1 ZINC000359490974 147336399 /nfs/dbraw/zinc/33/63/99/147336399.db2.gz BYPBCICYEKRKBS-QWHCGFSZSA-N 1 0 324.425 2.048 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000359570254 147353339 /nfs/dbraw/zinc/35/33/39/147353339.db2.gz IBLQIQPOHUKUCO-OAHLLOKOSA-N 1 0 315.421 2.237 10 0 DEAERO c1nc(CN2CCC(CC[NH+]3CCOCC3)CC2)oc1C1CC1 ZINC000371186490 148070329 /nfs/dbraw/zinc/07/03/29/148070329.db2.gz XZRSEYLDEVNADY-UHFFFAOYSA-N 1 0 319.449 2.486 10 0 DEAERO COCc1nccc([C@@H]2CCC[N@H+](Cc3c[nH]nc3C)C2)n1 ZINC000371410323 148099467 /nfs/dbraw/zinc/09/94/67/148099467.db2.gz COXBDLJQQRQQTL-CYBMUJFWSA-N 1 0 301.394 2.034 10 0 DEAERO CN1Cc2ccccc2[C@@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC000374343275 148233274 /nfs/dbraw/zinc/23/32/74/148233274.db2.gz XLHZQHGSODFMKI-KRWDZBQOSA-N 1 0 320.396 2.339 10 0 DEAERO CSc1ccc(CN(C)C(=O)C[N@@H+]2CCOCC[C@H]2C)cc1 ZINC000374986018 148313098 /nfs/dbraw/zinc/31/30/98/148313098.db2.gz HRTRFGNYNMFTIK-CQSZACIVSA-N 1 0 322.474 2.478 10 0 DEAERO CC(=O)N(c1nc(CN2CCOCC[C@H]2C)cs1)C1CC1 ZINC000374998693 148314796 /nfs/dbraw/zinc/31/47/96/148314796.db2.gz NVGVIXFFBXPSSS-LLVKDONJSA-N 1 0 309.435 2.269 10 0 DEAERO COC(=O)c1ccc(CN2CCO[C@@H](c3cccc(O)c3)C2)o1 ZINC000127279166 401726919 /nfs/dbraw/zinc/72/69/19/401726919.db2.gz PLRNIKIPHYLIRW-MRXNPFEDSA-N 1 0 317.341 2.345 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)N3CCSCC3)cc2)CC1 ZINC000074222622 401733701 /nfs/dbraw/zinc/73/37/01/401733701.db2.gz INHDHBWVLMWZLM-UHFFFAOYSA-N 1 0 319.474 2.018 10 0 DEAERO COc1ccc(C)nc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000127449218 401735229 /nfs/dbraw/zinc/73/52/29/401735229.db2.gz GSRAYOIPJDMMNK-WCQYABFASA-N 1 0 306.410 2.249 10 0 DEAERO COc1cc2nc(C[NH2+][C@H](C)C(C)(C)C)[nH]c(=O)c2cc1OC ZINC000074317454 401735335 /nfs/dbraw/zinc/73/53/35/401735335.db2.gz UVDDVICXNPTUCW-SNVBAGLBSA-N 1 0 319.405 2.465 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nc2)CC[N@@H+]1C ZINC000127558543 401739944 /nfs/dbraw/zinc/73/99/44/401739944.db2.gz XVABXRAITXGDSW-ZBFHGGJFSA-N 1 0 316.449 2.237 10 0 DEAERO Fc1cc(C[NH2+]CCCn2ccnn2)ccc1Br ZINC000126490713 401696736 /nfs/dbraw/zinc/69/67/36/401696736.db2.gz HKDRPUQLOMLOLZ-UHFFFAOYSA-N 1 0 313.174 2.360 10 0 DEAERO COC(=O)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000126743622 401706906 /nfs/dbraw/zinc/70/69/06/401706906.db2.gz XKYUOSILDXTZQY-HNNXBMFYSA-N 1 0 317.389 2.175 10 0 DEAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(=O)Nc1ncccn1 ZINC000112516402 401747805 /nfs/dbraw/zinc/74/78/05/401747805.db2.gz FXGHGPKMCMUJSX-NXEZZACHSA-N 1 0 306.316 2.433 10 0 DEAERO Cc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000111645360 401719466 /nfs/dbraw/zinc/71/94/66/401719466.db2.gz KRQUPVHWLUPJKY-GOSISDBHSA-N 1 0 311.429 2.222 10 0 DEAERO Cc1ccc(Br)cc1NC(=O)C1([NH3+])CCOCC1 ZINC000127789817 401750568 /nfs/dbraw/zinc/75/05/68/401750568.db2.gz CCZQUKUAJHORMU-UHFFFAOYSA-N 1 0 313.195 2.204 10 0 DEAERO C[C@@H](CC1CC1)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000112719602 401756404 /nfs/dbraw/zinc/75/64/04/401756404.db2.gz GTVNXARGHARVCC-AWEZNQCLSA-N 1 0 322.497 2.033 10 0 DEAERO Cc1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)s1 ZINC000075408825 401759469 /nfs/dbraw/zinc/75/94/69/401759469.db2.gz CXQRQYSQGBTAJN-CQSZACIVSA-N 1 0 324.494 2.450 10 0 DEAERO COC[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000112939392 401762418 /nfs/dbraw/zinc/76/24/18/401762418.db2.gz SXAJBDKODVWXNC-DLBZAZTESA-N 1 0 304.434 2.044 10 0 DEAERO OCCOCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000010435638 401770530 /nfs/dbraw/zinc/77/05/30/401770530.db2.gz YIGBQEIFXNLWJQ-UHFFFAOYSA-N 1 0 301.386 2.364 10 0 DEAERO COC(=O)Nc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113229641 401771323 /nfs/dbraw/zinc/77/13/23/401771323.db2.gz PTRFBGHOTHHAHQ-SWLSCSKDSA-N 1 0 317.389 2.174 10 0 DEAERO CCCc1noc(CCCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000113229990 401771591 /nfs/dbraw/zinc/77/15/91/401771591.db2.gz HJJIVJDWZQKLPW-UONOGXRCSA-N 1 0 320.437 2.040 10 0 DEAERO CC(C)NC(=O)CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000075865444 401772083 /nfs/dbraw/zinc/77/20/83/401772083.db2.gz DSYHCWIOTXDKFN-QGZVFWFLSA-N 1 0 304.434 2.440 10 0 DEAERO O=C1NCCCC[C@H]1[NH+]1CCC(OCc2ccccc2)CC1 ZINC000010988544 401772810 /nfs/dbraw/zinc/77/28/10/401772810.db2.gz BTVYFUHDNKKEAV-QGZVFWFLSA-N 1 0 302.418 2.336 10 0 DEAERO C[C@H](NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1cccs1 ZINC000113270525 401773565 /nfs/dbraw/zinc/77/35/65/401773565.db2.gz NFHXWKSWFBGAHO-HZSPNIEDSA-N 1 0 307.463 2.094 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1cccc(Cl)c1 ZINC000113268333 401773957 /nfs/dbraw/zinc/77/39/57/401773957.db2.gz JEKCWZSWQFOVBS-XJKSGUPXSA-N 1 0 321.852 2.125 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(=O)oc2cc(O)ccc12 ZINC000113271189 401774634 /nfs/dbraw/zinc/77/46/34/401774634.db2.gz OKNJFSZHZXXISC-GXTWGEPZSA-N 1 0 314.385 2.167 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(CCCOCCc2ccccc2)CC1 ZINC000075963346 401775595 /nfs/dbraw/zinc/77/55/95/401775595.db2.gz PYSADASKMPXJND-LJQANCHMSA-N 1 0 320.477 2.024 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](CO)CC(C)(C)C ZINC000128435530 401776422 /nfs/dbraw/zinc/77/64/22/401776422.db2.gz IQMIJVCEZBNOGK-KGLIPLIRSA-N 1 0 301.475 2.059 10 0 DEAERO CC(C)(C)CN1CCC[C@@]2(CC[N@H+](Cc3ncc[nH]3)C2)C1=O ZINC000012433515 401785634 /nfs/dbraw/zinc/78/56/34/401785634.db2.gz NTGHHAVGXXTRCQ-KRWDZBQOSA-N 1 0 304.438 2.270 10 0 DEAERO O=C(NCC[NH+]1CCCCCC1)[C@H]1CC(=O)Nc2ccccc21 ZINC000076249743 401788373 /nfs/dbraw/zinc/78/83/73/401788373.db2.gz CXTOTYGGZZRMQZ-HNNXBMFYSA-N 1 0 315.417 2.105 10 0 DEAERO Cc1ccn2ncc(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)c2n1 ZINC000114227406 401794873 /nfs/dbraw/zinc/79/48/73/401794873.db2.gz FIPTZUAKZWMTTQ-MRXNPFEDSA-N 1 0 323.400 2.070 10 0 DEAERO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1(C)COC1 ZINC000114277187 401795470 /nfs/dbraw/zinc/79/54/70/401795470.db2.gz OYTXJQFWSKYASP-UHFFFAOYSA-N 1 0 302.374 2.261 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000076490375 401796738 /nfs/dbraw/zinc/79/67/38/401796738.db2.gz RPMQGSNXFBSAHF-DYVFJYSZSA-N 1 0 320.481 2.158 10 0 DEAERO COc1cccc(F)c1[C@H](C)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000130160545 401820502 /nfs/dbraw/zinc/82/05/02/401820502.db2.gz HBXBQKNMCULUGK-STQMWFEESA-N 1 0 323.412 2.488 10 0 DEAERO CC[NH+]1CCN([C@H](C)CNC(=O)C(C)(C)c2cccs2)CC1 ZINC000115383629 401825872 /nfs/dbraw/zinc/82/58/72/401825872.db2.gz WPVMUOFUNJHURZ-CQSZACIVSA-N 1 0 323.506 2.168 10 0 DEAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(CC(F)F)CC1 ZINC000130746743 401837788 /nfs/dbraw/zinc/83/77/88/401837788.db2.gz ZZJIDQDEMBGNHO-AWEZNQCLSA-N 1 0 317.424 2.049 10 0 DEAERO Cc1cccnc1[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000115840196 401838258 /nfs/dbraw/zinc/83/82/58/401838258.db2.gz FGKIXAUOYXTWMB-LSDHHAIUSA-N 1 0 304.438 2.433 10 0 DEAERO CC[C@@H]1COCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115844735 401838471 /nfs/dbraw/zinc/83/84/71/401838471.db2.gz JLVVWXOGIAYQLI-OAHLLOKOSA-N 1 0 323.412 2.208 10 0 DEAERO C[C@@H]1CCc2c(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)csc2C1 ZINC000116791785 401859391 /nfs/dbraw/zinc/85/93/91/401859391.db2.gz APGMEYVXJXDXMM-OLZOCXBDSA-N 1 0 322.474 2.276 10 0 DEAERO CCC[N@@H+]1CCCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000078724747 401863667 /nfs/dbraw/zinc/86/36/67/401863667.db2.gz PDYFITIMARWZEW-OQLLNIDSSA-N 1 0 308.447 2.405 10 0 DEAERO CCc1ccc([C@H](C)NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000117025576 401867142 /nfs/dbraw/zinc/86/71/42/401867142.db2.gz GXFWSJBEJASHOC-YOEHRIQHSA-N 1 0 319.449 2.282 10 0 DEAERO CCO[C@@H]1C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078876516 401867582 /nfs/dbraw/zinc/86/75/82/401867582.db2.gz MLOFBZLGTIOFBX-DLBZAZTESA-N 1 0 302.418 2.324 10 0 DEAERO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCCC2(C)C)c1 ZINC000077382862 401813521 /nfs/dbraw/zinc/81/35/21/401813521.db2.gz MLMVFCUCCSBIRJ-UHFFFAOYSA-N 1 0 303.406 2.201 10 0 DEAERO Cc1cc(C)n2c(C[N@H+](C[C@@H]3CCOC3)C3CC3)cnc2n1 ZINC000129978571 401813917 /nfs/dbraw/zinc/81/39/17/401813917.db2.gz VRHORQDWRCZTQN-AWEZNQCLSA-N 1 0 300.406 2.347 10 0 DEAERO CN1CCC[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130034347 401816093 /nfs/dbraw/zinc/81/60/93/401816093.db2.gz ASNVWYRAHLZSNY-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO CC(C)OC(=O)c1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000135041022 401925045 /nfs/dbraw/zinc/92/50/45/401925045.db2.gz QAVLMHYCGDEWTL-XJKSGUPXSA-N 1 0 318.417 2.338 10 0 DEAERO COc1cc(C[NH2+]CC(C)(C)O)cc(Br)c1O ZINC000087010773 401925644 /nfs/dbraw/zinc/92/56/44/401925644.db2.gz FRBHAJCUBCKQFR-UHFFFAOYSA-N 1 0 304.184 2.024 10 0 DEAERO COc1cccc([C@@H]2CN(CC[C@@H]3CCOC3=O)CCO2)c1 ZINC000119261840 401937221 /nfs/dbraw/zinc/93/72/21/401937221.db2.gz IFZNCDUCLZPMQE-CJNGLKHVSA-N 1 0 305.374 2.022 10 0 DEAERO CCC[C@H](C(=O)NCc1ccc(OC)c(OC)c1OC)[NH+](C)C ZINC000135118647 401927441 /nfs/dbraw/zinc/92/74/41/401927441.db2.gz VDYURCSJFMMOSY-CYBMUJFWSA-N 1 0 324.421 2.059 10 0 DEAERO CCc1noc(CC)c1CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000087192633 401928855 /nfs/dbraw/zinc/92/88/55/401928855.db2.gz XMGPLOMPDARYCO-ZDUSSCGKSA-N 1 0 309.454 2.434 10 0 DEAERO CC(C)Oc1cccnc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000079545773 401875917 /nfs/dbraw/zinc/87/59/17/401875917.db2.gz VBQSKAOIJDBATM-KGLIPLIRSA-N 1 0 303.406 2.178 10 0 DEAERO CC[C@@H]1CN(C(=O)NCc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000117399308 401876681 /nfs/dbraw/zinc/87/66/81/401876681.db2.gz WAZLAGUMSWRGKT-MRXNPFEDSA-N 1 0 323.412 2.078 10 0 DEAERO C[C@@]1(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000133330260 401882189 /nfs/dbraw/zinc/88/21/89/401882189.db2.gz HTKTWJGQVHBHDK-WBVHZDCISA-N 1 0 309.454 2.215 10 0 DEAERO CCCN(CC[NH+](CC)CC)C(=O)Nc1cnc(N(C)C)nc1 ZINC000133351568 401882770 /nfs/dbraw/zinc/88/27/70/401882770.db2.gz CJHYJUAQFAMLBU-UHFFFAOYSA-N 1 0 322.457 2.128 10 0 DEAERO C[C@H](CNC(=O)[C@H]1Oc2ccccc2[C@@H]1C)C[NH+]1CCCC1 ZINC000117759819 401883957 /nfs/dbraw/zinc/88/39/57/401883957.db2.gz OHXXHPGSHQPTLY-KEYYUXOJSA-N 1 0 302.418 2.399 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(C)ccc1OC ZINC000036076766 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303.366 2.200 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)C(=O)c2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000124082254 402163222 /nfs/dbraw/zinc/16/32/22/402163222.db2.gz GDDLQCZIXPJGOA-CXAGYDPISA-N 1 0 314.429 2.299 10 0 DEAERO COC(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000124095403 402163796 /nfs/dbraw/zinc/16/37/96/402163796.db2.gz PXWWMSXSSXOLRH-WFASDCNBSA-N 1 0 304.390 2.028 10 0 DEAERO COC(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000124094751 402163843 /nfs/dbraw/zinc/16/38/43/402163843.db2.gz PXWWMSXSSXOLRH-IUODEOHRSA-N 1 0 304.390 2.028 10 0 DEAERO CCc1nc(CCNC(=O)NC[C@H](C)[NH+](CC)CC)cs1 ZINC000102553448 402168053 /nfs/dbraw/zinc/16/80/53/402168053.db2.gz XGEJLNSMMIACDW-LBPRGKRZSA-N 1 0 312.483 2.278 10 0 DEAERO CC1(C)CCC[N@@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000102930559 402174653 /nfs/dbraw/zinc/17/46/53/402174653.db2.gz PZRACPSUASRVIA-UHFFFAOYSA-N 1 0 315.417 2.392 10 0 DEAERO CCC[C@H](C(=O)N1CCO[C@](C)(c2ccccc2)C1)[NH+](C)C ZINC000154567370 402219085 /nfs/dbraw/zinc/21/90/85/402219085.db2.gz VJABEEXVDGZRCS-AEFFLSMTSA-N 1 0 304.434 2.491 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106905642 402221333 /nfs/dbraw/zinc/22/13/33/402221333.db2.gz WIUKIYKPHOTIGD-AEFFLSMTSA-N 1 0 317.477 2.150 10 0 DEAERO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC(C)(C)O1 ZINC000106911781 402222073 /nfs/dbraw/zinc/22/20/73/402222073.db2.gz UMQCXFGULRSQBX-GDBMZVCRSA-N 1 0 304.434 2.185 10 0 DEAERO CC[C@@H](C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1)[NH+](C)C ZINC000125258704 402222386 /nfs/dbraw/zinc/22/23/86/402222386.db2.gz XILYEFQGIKVGNL-YOEHRIQHSA-N 1 0 319.449 2.120 10 0 DEAERO O[C@H](COc1ccccc1Cl)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125281476 402223504 /nfs/dbraw/zinc/22/35/04/402223504.db2.gz KDZSNJVMUTXLBD-CABCVRRESA-N 1 0 324.852 2.250 10 0 DEAERO COc1ncc(C)cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000125301629 402224780 /nfs/dbraw/zinc/22/47/80/402224780.db2.gz BUXLOERSONUQJP-JSGCOSHPSA-N 1 0 306.410 2.249 10 0 DEAERO CCc1nnsc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107525681 402234581 /nfs/dbraw/zinc/23/45/81/402234581.db2.gz HCGQJSUKZRGNHZ-LBPRGKRZSA-N 1 0 308.451 2.191 10 0 DEAERO COc1cc(C)c([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1OC ZINC000125501737 402235854 /nfs/dbraw/zinc/23/58/54/402235854.db2.gz JNYHFKJPHIFHIH-KBXCAEBGSA-N 1 0 323.433 2.452 10 0 DEAERO CCOc1ccccc1CCNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000069779794 402244420 /nfs/dbraw/zinc/24/44/20/402244420.db2.gz JXAXZLLWJNHYCZ-INIZCTEOSA-N 1 0 319.449 2.411 10 0 DEAERO CCOc1ccccc1OCC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000155179096 402247421 /nfs/dbraw/zinc/24/74/21/402247421.db2.gz ASSUCJKFFORCKU-ZIAGYGMSSA-N 1 0 306.406 2.015 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2cc(-c3cccs3)on2)CCO1 ZINC000070016290 402254646 /nfs/dbraw/zinc/25/46/46/402254646.db2.gz VSOVPYPEUQOPDP-CYBMUJFWSA-N 1 0 307.419 2.166 10 0 DEAERO CC(C)(C)c1noc(-c2ccnc(N3CCC[C@H]([NH3+])C3)c2)n1 ZINC000070458184 402261128 /nfs/dbraw/zinc/26/11/28/402261128.db2.gz BLLULODBDDNVNE-LBPRGKRZSA-N 1 0 301.394 2.357 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000155581224 402261751 /nfs/dbraw/zinc/26/17/51/402261751.db2.gz AAEDSMSKCVINLU-UHFFFAOYSA-N 1 0 304.843 2.267 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000105896564 402210585 /nfs/dbraw/zinc/21/05/85/402210585.db2.gz QYZSLRVMLKBOHN-HNNXBMFYSA-N 1 0 304.438 2.141 10 0 DEAERO Fc1cc(C[NH2+]C2CCSCC2)cnc1N1CCOCC1 ZINC000185079373 402322611 /nfs/dbraw/zinc/32/26/11/402322611.db2.gz ZWBWRFQLYDLXPC-UHFFFAOYSA-N 1 0 311.426 2.043 10 0 DEAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H](C)C(C)C ZINC000176090701 402277816 /nfs/dbraw/zinc/27/78/16/402277816.db2.gz JMPZKZLZNCOZSZ-AWEZNQCLSA-N 1 0 319.449 2.403 10 0 DEAERO ClC(Cl)(Cl)CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000184576930 402278213 /nfs/dbraw/zinc/27/82/13/402278213.db2.gz PSRVTJNHZXKRSM-LLVKDONJSA-N 1 0 315.672 2.401 10 0 DEAERO C[C@H](O)CC(C)(C)CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000176128285 402282087 /nfs/dbraw/zinc/28/20/87/402282087.db2.gz QBZRRSPSSBNSPU-AWEZNQCLSA-N 1 0 322.449 2.154 10 0 DEAERO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000184666748 402290341 /nfs/dbraw/zinc/29/03/41/402290341.db2.gz ICLISRRTXVBLIO-HIFRSBDPSA-N 1 0 310.438 2.099 10 0 DEAERO COC(=O)[C@@H](C)C[N@H+](Cc1cnc2nc(C)cc(C)n12)C1CC1 ZINC000184719194 402294806 /nfs/dbraw/zinc/29/48/06/402294806.db2.gz SHVPJEPIZQKDAS-NSHDSACASA-N 1 0 316.405 2.120 10 0 DEAERO COC(=O)[C@H](C)C[N@H+](Cc1cnc2nc(C)cc(C)n12)C1CC1 ZINC000184719170 402294833 /nfs/dbraw/zinc/29/48/33/402294833.db2.gz SHVPJEPIZQKDAS-LLVKDONJSA-N 1 0 316.405 2.120 10 0 DEAERO CCC[NH+]1CCC(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000157573339 402296346 /nfs/dbraw/zinc/29/63/46/402296346.db2.gz YBRSBQIGVLKNIC-CRAIPNDOSA-N 1 0 323.481 2.197 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1nnc(C(F)F)s1 ZINC000176326642 402300116 /nfs/dbraw/zinc/30/01/16/402300116.db2.gz MROWYOMMZGMTRP-MRVPVSSYSA-N 1 0 319.381 2.424 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000176367569 402303698 /nfs/dbraw/zinc/30/36/98/402303698.db2.gz GFQGNWAJYBCTOT-AWEZNQCLSA-N 1 0 319.405 2.041 10 0 DEAERO C[C@H](CCn1cccn1)[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000158845297 402313239 /nfs/dbraw/zinc/31/32/39/402313239.db2.gz KIBGTIHIMPESIE-NVXWUHKLSA-N 1 0 312.417 2.447 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ncccc2OCC)C1 ZINC000176509670 402315653 /nfs/dbraw/zinc/31/56/53/402315653.db2.gz LXFFGANPVVLGBJ-AWEZNQCLSA-N 1 0 305.422 2.284 10 0 DEAERO COc1ccc(/C(C)=C/C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000176520126 402316602 /nfs/dbraw/zinc/31/66/02/402316602.db2.gz QIVAQLHMUDFZMZ-GRNBYLDVSA-N 1 0 300.402 2.405 10 0 DEAERO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185008001 402316920 /nfs/dbraw/zinc/31/69/20/402316920.db2.gz LUOJZFPDHTXDSF-HOTGVXAUSA-N 1 0 304.394 2.201 10 0 DEAERO CNC(=O)CC(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000185028770 402318573 /nfs/dbraw/zinc/31/85/73/402318573.db2.gz BXOVSQGHNVXLIC-UHFFFAOYSA-N 1 0 303.406 2.123 10 0 DEAERO O=C(NCCc1cscn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000159223492 402319532 /nfs/dbraw/zinc/31/95/32/402319532.db2.gz GBIHFIRTLAXBPT-UHFFFAOYSA-N 1 0 322.478 2.203 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000228728535 402339927 /nfs/dbraw/zinc/33/99/27/402339927.db2.gz OTJZPENWZGJSEY-OUAUKWLOSA-N 1 0 322.232 2.340 10 0 DEAERO CCc1ccsc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176884799 402346371 /nfs/dbraw/zinc/34/63/71/402346371.db2.gz GAPIBAXSWRXFHO-ZDUSSCGKSA-N 1 0 324.490 2.475 10 0 DEAERO CC(C)C[C@@H](CO)[N@H+](C)C[C@H](O)COCc1ccccc1F ZINC000185359568 402347248 /nfs/dbraw/zinc/34/72/48/402347248.db2.gz YRGDEQAVHZGLOJ-HOTGVXAUSA-N 1 0 313.413 2.042 10 0 DEAERO CC[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Oc1ccccc1C ZINC000176912162 402349372 /nfs/dbraw/zinc/34/93/72/402349372.db2.gz BOIVJPTZFVGHIJ-HZPDHXFCSA-N 1 0 319.449 2.498 10 0 DEAERO C[C@H](C[N@H+](C)CCCOc1ccc(F)cc1)CS(C)(=O)=O ZINC000176961857 402354685 /nfs/dbraw/zinc/35/46/85/402354685.db2.gz XJJWQHRVTHLJCR-CYBMUJFWSA-N 1 0 317.426 2.207 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COc1ccccc1OC ZINC000177026200 402360632 /nfs/dbraw/zinc/36/06/32/402360632.db2.gz LLVAIVCOBKNOKX-AWEZNQCLSA-N 1 0 306.406 2.017 10 0 DEAERO Cc1nccn1C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000177164960 402376877 /nfs/dbraw/zinc/37/68/77/402376877.db2.gz BKJHITGNDLGZNY-KRWDZBQOSA-N 1 0 318.465 2.303 10 0 DEAERO CCC(CC)(C[NH3+])NC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000236756075 402380658 /nfs/dbraw/zinc/38/06/58/402380658.db2.gz QUQCCZIISCMVTL-UHFFFAOYSA-N 1 0 308.470 2.332 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2c(F)cccc2Br)C1 ZINC000226640051 402329745 /nfs/dbraw/zinc/32/97/45/402329745.db2.gz RXEICLOAMXHOEI-SECBINFHSA-N 1 0 315.186 2.364 10 0 DEAERO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](CCO)C1)c1ccccc1Cl ZINC000227572403 402332084 /nfs/dbraw/zinc/33/20/84/402332084.db2.gz YTLGINGIJJRPHK-OLZOCXBDSA-N 1 0 310.825 2.222 10 0 DEAERO COC[C@H](C[NH2+]Cc1ccc(Br)c(F)c1)OC ZINC000227707898 402333245 /nfs/dbraw/zinc/33/32/45/402333245.db2.gz MYKHJTJLZFQOLU-JTQLQIEISA-N 1 0 306.175 2.339 10 0 DEAERO CN(C(=O)c1ccn(-c2cccc(Cl)c2)n1)C1CC[NH2+]CC1 ZINC000237114739 402395411 /nfs/dbraw/zinc/39/54/11/402395411.db2.gz JPEFERNXAPHSAA-UHFFFAOYSA-N 1 0 318.808 2.350 10 0 DEAERO CC(=O)NC1CCC([NH2+]CCCc2c(C)nn(C)c2C)CC1 ZINC000161753992 402398137 /nfs/dbraw/zinc/39/81/37/402398137.db2.gz GINFKHWBNVWYFG-UHFFFAOYSA-N 1 0 306.454 2.006 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000237353917 402405612 /nfs/dbraw/zinc/40/56/12/402405612.db2.gz KOBDATYIJKJCHW-YPMHNXCESA-N 1 0 316.380 2.415 10 0 DEAERO CCC[C@@H](C(=O)NCc1nc2cc(C)ccc2n1C)[NH+](C)C ZINC000186159671 402406789 /nfs/dbraw/zinc/40/67/89/402406789.db2.gz WPVVULWNLJNVNC-HNNXBMFYSA-N 1 0 302.422 2.228 10 0 DEAERO CC(C)C1(C)CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000186191992 402409195 /nfs/dbraw/zinc/40/91/95/402409195.db2.gz IJNNDODJIMIMQA-OAHLLOKOSA-N 1 0 316.511 2.416 10 0 DEAERO COC(C)(C)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000186202285 402409724 /nfs/dbraw/zinc/40/97/24/402409724.db2.gz WKXLBSBVGGIJPZ-UHFFFAOYSA-N 1 0 321.421 2.249 10 0 DEAERO Cc1cnn([C@H]2CCC[N@H+](CCNC(=O)OC(C)(C)C)C2)c1 ZINC000177503258 402409837 /nfs/dbraw/zinc/40/98/37/402409837.db2.gz GOCCGRAUQCDECY-AWEZNQCLSA-N 1 0 308.426 2.353 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)CCC3)C[C@H]1C ZINC000177509878 402410568 /nfs/dbraw/zinc/41/05/68/402410568.db2.gz CYJGISHQSIBFRU-ZIAGYGMSSA-N 1 0 317.433 2.094 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]CCc2c(C)nn(C)c2C)C12CCOCC2 ZINC000186226883 402413263 /nfs/dbraw/zinc/41/32/63/402413263.db2.gz RRALCBBVUVVDAN-SJORKVTESA-N 1 0 321.465 2.143 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]Cc2nccn2C(F)F)C12CCOCC2 ZINC000186290421 402418208 /nfs/dbraw/zinc/41/82/08/402418208.db2.gz VLIVSPYFAADQHN-RYUDHWBXSA-N 1 0 315.364 2.342 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1CC ZINC000162455670 402420662 /nfs/dbraw/zinc/42/06/62/402420662.db2.gz BLHNXSAOKPSEDN-OAHLLOKOSA-N 1 0 310.463 2.136 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]CCCNc2ccccn2)C12CCOCC2 ZINC000186376389 402426312 /nfs/dbraw/zinc/42/63/12/402426312.db2.gz DRLPCNUVQIVOQB-HOTGVXAUSA-N 1 0 319.449 2.447 10 0 DEAERO CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000186641614 402450953 /nfs/dbraw/zinc/45/09/53/402450953.db2.gz GLBZHJCXDWGPKN-SWLSCSKDSA-N 1 0 308.397 2.223 10 0 DEAERO [NH3+]C1(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)CCCCC1 ZINC000237949474 402427355 /nfs/dbraw/zinc/42/73/55/402427355.db2.gz PSUDZZFKKNUHPP-LBPRGKRZSA-N 1 0 322.840 2.092 10 0 DEAERO Cc1ccc(CNC(=O)[C@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000177767426 402433922 /nfs/dbraw/zinc/43/39/22/402433922.db2.gz UUBZXDGDNXAATK-FUHWJXTLSA-N 1 0 315.461 2.170 10 0 DEAERO CC1CCC(N(C)C(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000177777736 402435159 /nfs/dbraw/zinc/43/51/59/402435159.db2.gz NOZXNWGVFWMEPY-OFLPRAFFSA-N 1 0 307.482 2.194 10 0 DEAERO COc1ccc(F)cc1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000186497971 402436402 /nfs/dbraw/zinc/43/64/02/402436402.db2.gz JJPWDPDXMFUOQA-SWLSCSKDSA-N 1 0 308.397 2.318 10 0 DEAERO O=C(c1cncc(Br)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186505028 402437366 /nfs/dbraw/zinc/43/73/66/402437366.db2.gz ZGOJRZZPRXUMCF-GFCCVEGCSA-N 1 0 324.222 2.201 10 0 DEAERO O=C(c1cc(-c2cccs2)n[nH]1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186531769 402439795 /nfs/dbraw/zinc/43/97/95/402439795.db2.gz QGSHMYFGYWLHEJ-LLVKDONJSA-N 1 0 316.430 2.495 10 0 DEAERO Cc1nc(CCNC(=O)N2CCC[N@@H+](C3CC3)CC2)sc1C ZINC000177890254 402442637 /nfs/dbraw/zinc/44/26/37/402442637.db2.gz CEMOATSTUZXCIH-UHFFFAOYSA-N 1 0 322.478 2.182 10 0 DEAERO C[C@H]1CC[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)O1 ZINC000177954979 402446535 /nfs/dbraw/zinc/44/65/35/402446535.db2.gz UNBOKYKKEXSRTI-WMLDXEAASA-N 1 0 302.418 2.466 10 0 DEAERO CCC[C@H](C(=O)NCc1ccc(N(CC)CC)nc1)[NH+](C)C ZINC000161612640 402393551 /nfs/dbraw/zinc/39/35/51/402393551.db2.gz YFCPRPFVNDOXNE-OAHLLOKOSA-N 1 0 306.454 2.274 10 0 DEAERO C[NH2+]C1CCN(C(=O)CCCOc2ccc(F)cc2F)CC1 ZINC000237063043 402393631 /nfs/dbraw/zinc/39/36/31/402393631.db2.gz WYBNTFPHFPTDOQ-UHFFFAOYSA-N 1 0 312.360 2.334 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(OC)c(F)c1 ZINC000177355402 402393933 /nfs/dbraw/zinc/39/39/33/402393933.db2.gz ULNZRZZVMMZQNA-AWEZNQCLSA-N 1 0 323.412 2.460 10 0 DEAERO Cc1cc(OCCN2CC[N@H+](CCO)[C@H](C)C2)ccc1C(C)C ZINC000187739747 402510219 /nfs/dbraw/zinc/51/02/19/402510219.db2.gz KGOTWBZIWXGWCJ-QGZVFWFLSA-N 1 0 320.477 2.496 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000245399924 402455715 /nfs/dbraw/zinc/45/57/15/402455715.db2.gz BBSOBCLTNTWSKL-RBSFLKMASA-N 1 0 310.438 2.051 10 0 DEAERO CCNC(=O)NC(=O)CN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000245409795 402457120 /nfs/dbraw/zinc/45/71/20/402457120.db2.gz OANBOVJZRMJPIY-ABAIWWIYSA-N 1 0 307.369 2.054 10 0 DEAERO CCO[C@H](C)c1noc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)n1 ZINC000245417098 402458570 /nfs/dbraw/zinc/45/85/70/402458570.db2.gz FUDABGNNGRRFKY-RDBSUJKOSA-N 1 0 308.426 2.226 10 0 DEAERO COC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C)o1 ZINC000245422680 402459287 /nfs/dbraw/zinc/45/92/87/402459287.db2.gz ADNWDVYYPZBUKN-QEJZJMRPSA-N 1 0 323.437 2.400 10 0 DEAERO COCCC1(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000164239289 402461264 /nfs/dbraw/zinc/46/12/64/402461264.db2.gz VQXKFICWTROASA-MRXNPFEDSA-N 1 0 304.434 2.092 10 0 DEAERO Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178113175 402461833 /nfs/dbraw/zinc/46/18/33/402461833.db2.gz RJEGYLCMDGUBAM-INIZCTEOSA-N 1 0 322.412 2.372 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)C12CCC2 ZINC000245464749 402463042 /nfs/dbraw/zinc/46/30/42/402463042.db2.gz ICWCKAWQAAMEQD-OWCLPIDISA-N 1 0 323.481 2.460 10 0 DEAERO COC(=O)c1scc(C)c1NC(=O)N1CCC[N@H+](C)CC1 ZINC000186852794 402467534 /nfs/dbraw/zinc/46/75/34/402467534.db2.gz YEHJREMAHDYKDI-UHFFFAOYSA-N 1 0 311.407 2.013 10 0 DEAERO O=C1NCCCC[C@@H]1[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000245589668 402473329 /nfs/dbraw/zinc/47/33/29/402473329.db2.gz FUUCURVIZGMLFX-YESZJQIVSA-N 1 0 302.418 2.243 10 0 DEAERO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000245610208 402473708 /nfs/dbraw/zinc/47/37/08/402473708.db2.gz AVBKIMVEKOCUMN-KBMXLJTQSA-N 1 0 303.402 2.308 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245626610 402475341 /nfs/dbraw/zinc/47/53/41/402475341.db2.gz GRCOVSNOMGJPPH-GVDBMIGSSA-N 1 0 317.433 2.252 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1COc2ccccc21 ZINC000245658482 402476916 /nfs/dbraw/zinc/47/69/16/402476916.db2.gz CVFPFBCBCATARX-FMKPAKJESA-N 1 0 315.417 2.388 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1nc(C)sc1C ZINC000165755936 402478508 /nfs/dbraw/zinc/47/85/08/402478508.db2.gz KNRVNZFEZRLWIP-UONOGXRCSA-N 1 0 307.463 2.388 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(N(C)C)cc1 ZINC000245689930 402480166 /nfs/dbraw/zinc/48/01/66/402480166.db2.gz AQZURROAPYDVIS-BBRMVZONSA-N 1 0 302.422 2.453 10 0 DEAERO C[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)[NH+]1CCCCCC1 ZINC000178298769 402481656 /nfs/dbraw/zinc/48/16/56/402481656.db2.gz RGERTJXGYUXHEW-XYPHTWIQSA-N 1 0 302.418 2.025 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC000245729222 402483655 /nfs/dbraw/zinc/48/36/55/402483655.db2.gz RKMIYUISLDAMGC-VQHPVUNQSA-N 1 0 324.465 2.046 10 0 DEAERO CCCOc1cccc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000245740513 402484566 /nfs/dbraw/zinc/48/45/66/402484566.db2.gz LPMWLTDTOAIVAZ-HOTGVXAUSA-N 1 0 306.450 2.362 10 0 DEAERO CCCOc1cccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000245740514 402484855 /nfs/dbraw/zinc/48/48/55/402484855.db2.gz LPMWLTDTOAIVAZ-JKSUJKDBSA-N 1 0 306.450 2.362 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245764810 402486235 /nfs/dbraw/zinc/48/62/35/402486235.db2.gz JDSGQZQWFSPEFM-TYNCELHUSA-N 1 0 306.454 2.461 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000187931684 402513409 /nfs/dbraw/zinc/51/34/09/402513409.db2.gz NEDCAVJGVMHBLY-NHYWBVRUSA-N 1 0 311.813 2.156 10 0 DEAERO Cc1cc(N2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)n[nH]1 ZINC000187238272 402489235 /nfs/dbraw/zinc/48/92/35/402489235.db2.gz BYTRWISYNZLWDU-UHFFFAOYSA-N 1 0 323.400 2.294 10 0 DEAERO CCC1(CC)[C@H]([NH2+][C@H]2CCCn3nc(COC)nc32)C[C@H]1OC ZINC000245829281 402490035 /nfs/dbraw/zinc/49/00/35/402490035.db2.gz BLYOBMKKZJDJMZ-BFHYXJOUSA-N 1 0 322.453 2.443 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000187265653 402490727 /nfs/dbraw/zinc/49/07/27/402490727.db2.gz DFNTVYCVHRUBCE-HUUCEWRRSA-N 1 0 311.470 2.364 10 0 DEAERO CC(C)c1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc(=O)[nH]1 ZINC000245848264 402491339 /nfs/dbraw/zinc/49/13/39/402491339.db2.gz FJWKWXQSOLZGGF-JSGCOSHPSA-N 1 0 303.406 2.219 10 0 DEAERO COCC[C@](C)(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000178386268 402492205 /nfs/dbraw/zinc/49/22/05/402492205.db2.gz QHZKKVHNGFNBSC-ZDUSSCGKSA-N 1 0 320.202 2.465 10 0 DEAERO COc1ccc(OC)c(CN(C(=O)CC(C)(C)[NH3+])C2CC2)c1 ZINC000178399453 402494244 /nfs/dbraw/zinc/49/42/44/402494244.db2.gz DHOMCJOCWOYCTN-UHFFFAOYSA-N 1 0 306.406 2.322 10 0 DEAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(N2CCCC2)c1 ZINC000168340294 402496188 /nfs/dbraw/zinc/49/61/88/402496188.db2.gz GEQYFTNNNXIPBO-AWEZNQCLSA-N 1 0 316.449 2.481 10 0 DEAERO CO[C@H]1CN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC[C@@H]1C ZINC000187372021 402496849 /nfs/dbraw/zinc/49/68/49/402496849.db2.gz BPDSMIWJJDBTAJ-HOCLYGCPSA-N 1 0 311.470 2.173 10 0 DEAERO CNC(=O)[C@@H]([NH2+]Cc1nc2ccc(OC)cc2s1)C(C)C ZINC000187429134 402500311 /nfs/dbraw/zinc/50/03/11/402500311.db2.gz AGEWVOMQOSYPKM-AWEZNQCLSA-N 1 0 307.419 2.165 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)NCCC2=CCCCC2)C1 ZINC000187967995 402514186 /nfs/dbraw/zinc/51/41/86/402514186.db2.gz UXQKZTYOLMOLQO-CRAIPNDOSA-N 1 0 308.466 2.476 10 0 DEAERO CCc1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc(-c2ccncc2)n1 ZINC000246018461 402503945 /nfs/dbraw/zinc/50/39/45/402503945.db2.gz KJRMECLYJJMKNE-INIZCTEOSA-N 1 0 309.417 2.385 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cccc(O)c2)C1 ZINC000246039098 402504746 /nfs/dbraw/zinc/50/47/46/402504746.db2.gz WXVQFADPURBHIX-HOCLYGCPSA-N 1 0 303.406 2.018 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000187617813 402506236 /nfs/dbraw/zinc/50/62/36/402506236.db2.gz FFXBRTNJDYZHMV-WMLDXEAASA-N 1 0 310.413 2.071 10 0 DEAERO COC[C@H](C)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000187670532 402508114 /nfs/dbraw/zinc/50/81/14/402508114.db2.gz RXIBOULAZZIBLQ-RBSFLKMASA-N 1 0 307.438 2.067 10 0 DEAERO COC(=O)c1oc([C@@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)cc1C ZINC000178533690 402508466 /nfs/dbraw/zinc/50/84/66/402508466.db2.gz VIYNCPQMIHETCS-GFCCVEGCSA-N 1 0 322.405 2.236 10 0 DEAERO Cc1ccccc1OCC[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246095389 402509392 /nfs/dbraw/zinc/50/93/92/402509392.db2.gz HPBUVYSSYQHUKU-SJORKVTESA-N 1 0 304.434 2.026 10 0 DEAERO C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)N1CCO[C@H]2CCCC[C@H]21 ZINC000246714946 402542243 /nfs/dbraw/zinc/54/22/43/402542243.db2.gz MCWCTGOGKOQFQX-BDXSIMOUSA-N 1 0 308.466 2.273 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000246987774 402552427 /nfs/dbraw/zinc/55/24/27/402552427.db2.gz OYPDXOZONBUWBA-STQMWFEESA-N 1 0 316.380 2.401 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc2c1OCO2 ZINC000247034413 402554210 /nfs/dbraw/zinc/55/42/10/402554210.db2.gz UROCAYSMAGXILF-OLZOCXBDSA-N 1 0 302.374 2.114 10 0 DEAERO O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(CCOCC(F)F)C1 ZINC000189743210 402556028 /nfs/dbraw/zinc/55/60/28/402556028.db2.gz SHXGMIIVBXCHQO-MFKMUULPSA-N 1 0 307.287 2.354 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+]C[C@H]3CC=CCC3)C2=O)n(C)n1 ZINC000178938785 402557476 /nfs/dbraw/zinc/55/74/76/402557476.db2.gz SKWZBPKASPGNCA-LSDHHAIUSA-N 1 0 302.422 2.170 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CC[N@@H+]1C ZINC000247159582 402558791 /nfs/dbraw/zinc/55/87/91/402558791.db2.gz AJTHJEZXIQBCKZ-WOFIAXNJSA-N 1 0 306.450 2.323 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cc(C)nc3onc(C(C)C)c32)CC1 ZINC000179138549 402575215 /nfs/dbraw/zinc/57/52/15/402575215.db2.gz FACUUFZOBCZXDC-UHFFFAOYSA-N 1 0 316.405 2.479 10 0 DEAERO COCC[N@H+](C)CCNC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000171128133 402559695 /nfs/dbraw/zinc/55/96/95/402559695.db2.gz XDHLASFIPILVAX-UHFFFAOYSA-N 1 0 321.808 2.196 10 0 DEAERO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000247358380 402565170 /nfs/dbraw/zinc/56/51/70/402565170.db2.gz OKGZNAKPZCJMIA-RDBSUJKOSA-N 1 0 313.401 2.092 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)CC[N@@H+]1C ZINC000247463462 402568178 /nfs/dbraw/zinc/56/81/78/402568178.db2.gz RFLMJBWLBXUGKN-IPYPFGDCSA-N 1 0 315.417 2.054 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000247475053 402568377 /nfs/dbraw/zinc/56/83/77/402568377.db2.gz SAGRMXFEEAITBB-HIFRSBDPSA-N 1 0 310.401 2.385 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000247479471 402568667 /nfs/dbraw/zinc/56/86/67/402568667.db2.gz JDHFWXZXARDCBB-ARFHVFGLSA-N 1 0 311.470 2.317 10 0 DEAERO CSc1ccccc1NC(=O)CC[N@H+](C)CC1(CO)CC1 ZINC000190014959 402570614 /nfs/dbraw/zinc/57/06/14/402570614.db2.gz RHVLVHCPEKTWHU-UHFFFAOYSA-N 1 0 308.447 2.441 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2OCCc3ccccc32)[C@@H](C)C1 ZINC000246248513 402520260 /nfs/dbraw/zinc/52/02/60/402520260.db2.gz IWSOJMITDXESLD-JCGIZDLHSA-N 1 0 316.445 2.489 10 0 DEAERO COc1cccc(OCC[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000178674454 402524795 /nfs/dbraw/zinc/52/47/95/402524795.db2.gz BPGLUINCRIFAQU-CQSZACIVSA-N 1 0 302.378 2.003 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000246324722 402525651 /nfs/dbraw/zinc/52/56/51/402525651.db2.gz NEONIFQZFMDFSN-VNQPRFMTSA-N 1 0 317.433 2.492 10 0 DEAERO Cc1cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c(C)s1 ZINC000170788053 402525743 /nfs/dbraw/zinc/52/57/43/402525743.db2.gz WJDLBHWGTZWFLA-VIFPVBQESA-N 1 0 302.465 2.126 10 0 DEAERO C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)N1CCc2ccccc21 ZINC000178714539 402529560 /nfs/dbraw/zinc/52/95/60/402529560.db2.gz TUWLIXAVRQGGMT-CQSZACIVSA-N 1 0 309.413 2.326 10 0 DEAERO COc1ccc([C@H](CNC(=O)N[C@H]2C[C@@H]2C)[NH+](C)C)cc1OC ZINC000170836774 402531302 /nfs/dbraw/zinc/53/13/02/402531302.db2.gz JJHPRUQGEIICHM-UBHSHLNASA-N 1 0 321.421 2.014 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2cc(-c3ccccc3)on2)C1 ZINC000170836695 402531701 /nfs/dbraw/zinc/53/17/01/402531701.db2.gz NUXZLCODKHEMMC-OAHLLOKOSA-N 1 0 314.389 2.187 10 0 DEAERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)CC[C@@H]1C ZINC000189289169 402533183 /nfs/dbraw/zinc/53/31/83/402533183.db2.gz KKLUUGZJRNNDCR-LRDDRELGSA-N 1 0 320.389 2.101 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 ZINC000170855925 402533197 /nfs/dbraw/zinc/53/31/97/402533197.db2.gz CDVPUTUHAZTJTF-CYBMUJFWSA-N 1 0 316.430 2.311 10 0 DEAERO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000170858313 402533585 /nfs/dbraw/zinc/53/35/85/402533585.db2.gz YBHVOEMYGPUCFD-GFCCVEGCSA-N 1 0 317.433 2.254 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c2ccccc21 ZINC000246527087 402535429 /nfs/dbraw/zinc/53/54/29/402535429.db2.gz JJBAXKYOMMQCOV-RPVQJOFSSA-N 1 0 319.449 2.237 10 0 DEAERO Cc1sc(-c2ccco2)nc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170867856 402535693 /nfs/dbraw/zinc/53/56/93/402535693.db2.gz NHCSICABEXVSFB-NSHDSACASA-N 1 0 305.403 2.488 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)COc1ccccc1C ZINC000246661608 402540521 /nfs/dbraw/zinc/54/05/21/402540521.db2.gz ULXDPASSECFXAH-SQNIBIBYSA-N 1 0 318.461 2.293 10 0 DEAERO CC(C)[C@](C)(O)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248087866 402582256 /nfs/dbraw/zinc/58/22/56/402582256.db2.gz SYCWEBSCRHZHSK-XYJFISCASA-N 1 0 319.449 2.138 10 0 DEAERO CC[C@@H](C)CS(=O)(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000179316291 402584530 /nfs/dbraw/zinc/58/45/30/402584530.db2.gz SLTIYWQLRSVUTI-GDBMZVCRSA-N 1 0 312.479 2.125 10 0 DEAERO C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCS1 ZINC000171412203 402585519 /nfs/dbraw/zinc/58/55/19/402585519.db2.gz BJDMGORQBPAKJY-ZFWWWQNUSA-N 1 0 307.463 2.436 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(Cc3cnn4ccccc34)CC2)CCO1 ZINC000179345971 402586580 /nfs/dbraw/zinc/58/65/80/402586580.db2.gz GFHFSRZLLGVQIW-OAHLLOKOSA-N 1 0 314.433 2.019 10 0 DEAERO C[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CCS1 ZINC000171429947 402587093 /nfs/dbraw/zinc/58/70/93/402587093.db2.gz RSFRYGRTVUCZAK-HOCLYGCPSA-N 1 0 321.490 2.306 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCOc3cccc(Cl)c3)C[C@H]12 ZINC000248561769 402595780 /nfs/dbraw/zinc/59/57/80/402595780.db2.gz AYIKCBLBOUYSNL-BYCMXARLSA-N 1 0 308.809 2.305 10 0 DEAERO COC(C)(C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171604532 402600090 /nfs/dbraw/zinc/60/00/90/402600090.db2.gz KQMWWPKMHGYASY-INIZCTEOSA-N 1 0 304.434 2.092 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCCCC2(C)C)C[C@@H]1C ZINC000248644700 402601299 /nfs/dbraw/zinc/60/12/99/402601299.db2.gz SCIQXQHFQLULDN-KKUMJFAQSA-N 1 0 311.470 2.052 10 0 DEAERO Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000171617635 402602101 /nfs/dbraw/zinc/60/21/01/402602101.db2.gz QXSHUOIVNDBKGX-SUMWQHHRSA-N 1 0 314.433 2.079 10 0 DEAERO CCOc1ccc(OCC[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171615629 402602157 /nfs/dbraw/zinc/60/21/57/402602157.db2.gz UKOBFJBUMUSFLH-OAHLLOKOSA-N 1 0 316.405 2.393 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCCc3ccc(F)c(F)c3)C[C@H]12 ZINC000248666622 402602965 /nfs/dbraw/zinc/60/29/65/402602965.db2.gz WRYOTXXNNFHOQM-HEHGZKQESA-N 1 0 308.372 2.483 10 0 DEAERO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC(C)(C)O)CC1 ZINC000171631393 402603818 /nfs/dbraw/zinc/60/38/18/402603818.db2.gz UKRPQUYUNYKJCD-LBPRGKRZSA-N 1 0 300.443 2.383 10 0 DEAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248694116 402603842 /nfs/dbraw/zinc/60/38/42/402603842.db2.gz JHBIISMITHGVKK-YJBOKZPZSA-N 1 0 305.418 2.294 10 0 DEAERO CC(C)c1cccc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000248691027 402604028 /nfs/dbraw/zinc/60/40/28/402604028.db2.gz XVZPPOWDEJBRGM-NUEKZKHPSA-N 1 0 308.447 2.168 10 0 DEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCCO[C@H]2C)o1 ZINC000190478469 402604096 /nfs/dbraw/zinc/60/40/96/402604096.db2.gz JMGZKLQXVPJGRQ-HOCLYGCPSA-N 1 0 308.422 2.293 10 0 DEAERO Cc1cccc(NC(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000171639333 402604531 /nfs/dbraw/zinc/60/45/31/402604531.db2.gz SVTIBTMRZGRSNP-HZPDHXFCSA-N 1 0 301.434 2.410 10 0 DEAERO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1C[C@H](O)C1CCCCC1 ZINC000190550120 402609185 /nfs/dbraw/zinc/60/91/85/402609185.db2.gz IGRGCMKYEOZPOZ-IRXDYDNUSA-N 1 0 320.433 2.301 10 0 DEAERO Cc1cc(C)n(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000180189900 402609749 /nfs/dbraw/zinc/60/97/49/402609749.db2.gz UEFKTICFONUSDA-FUHWJXTLSA-N 1 0 312.417 2.062 10 0 DEAERO C[C@H](CO)[N@@H+](Cc1csc(Br)c1)C[C@H](C)O ZINC000248934186 402615176 /nfs/dbraw/zinc/61/51/76/402615176.db2.gz MYKXYIXHMSMUTC-BDAKNGLRSA-N 1 0 308.241 2.074 10 0 DEAERO COc1ccnc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1OC ZINC000190641245 402615459 /nfs/dbraw/zinc/61/54/59/402615459.db2.gz BFKQNWVRMPFPGP-AWEZNQCLSA-N 1 0 316.405 2.268 10 0 DEAERO C[C@@H]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000249054373 402618925 /nfs/dbraw/zinc/61/89/25/402618925.db2.gz XHHNQBFTAHLQLT-KZNAEPCWSA-N 1 0 321.509 2.441 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171770613 402620893 /nfs/dbraw/zinc/62/08/93/402620893.db2.gz HAZJMEHMJNYPNP-CYBMUJFWSA-N 1 0 314.838 2.117 10 0 DEAERO COC[C@@H](C)[N@@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000249112760 402620920 /nfs/dbraw/zinc/62/09/20/402620920.db2.gz VZMHXYKUGBIFIZ-HUUCEWRRSA-N 1 0 314.470 2.149 10 0 DEAERO COCc1cccc(CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000249121782 402621354 /nfs/dbraw/zinc/62/13/54/402621354.db2.gz AFUTYIRCJPNHCA-ZWKOTPCHSA-N 1 0 316.445 2.318 10 0 DEAERO Cc1nc(CCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)sc1C ZINC000247884291 402577392 /nfs/dbraw/zinc/57/73/92/402577392.db2.gz CMCVHRVPUGVDLT-RISCZKNCSA-N 1 0 322.478 2.181 10 0 DEAERO Cc1ccccc1CCNC(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249529762 402633559 /nfs/dbraw/zinc/63/35/59/402633559.db2.gz AQSAPHNTAXXWJR-DNVCBOLYSA-N 1 0 318.461 2.137 10 0 DEAERO C[C@H](Cc1ccc(O)cc1)NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000249789659 402641875 /nfs/dbraw/zinc/64/18/75/402641875.db2.gz UCTZZJWVQTYUSB-HUUCEWRRSA-N 1 0 319.449 2.497 10 0 DEAERO C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCO1 ZINC000249799087 402642745 /nfs/dbraw/zinc/64/27/45/402642745.db2.gz YDIPGDRHYHJONH-NPJQDHAYSA-N 1 0 311.470 2.220 10 0 DEAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@H](C)COC)C1 ZINC000249940644 402643896 /nfs/dbraw/zinc/64/38/96/402643896.db2.gz SWQJXCWOOZLAAC-QWHCGFSZSA-N 1 0 324.387 2.392 10 0 DEAERO CCN(CC)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C)cn2)CC1 ZINC000181550956 402649309 /nfs/dbraw/zinc/64/93/09/402649309.db2.gz SKSXXVVPAMMZFD-HNNXBMFYSA-N 1 0 319.449 2.490 10 0 DEAERO COc1cc(C[NH2+]C[C@H](C)OC)cc(Br)c1O ZINC000191209010 402650851 /nfs/dbraw/zinc/65/08/51/402650851.db2.gz AJSNSDGHYGGWAQ-QMMMGPOBSA-N 1 0 304.184 2.288 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCc3sccc3C2)CC[C@H]1C ZINC000251864547 402650898 /nfs/dbraw/zinc/65/08/98/402650898.db2.gz ONOVJJQBVUPFLB-UMVBOHGHSA-N 1 0 322.474 2.378 10 0 DEAERO O=C1[C@@H](N2CCC[N@@H+](C3CC3)CC2)CCN1c1ccccc1F ZINC000172347591 402651875 /nfs/dbraw/zinc/65/18/75/402651875.db2.gz UEAZFCNQOKAGMZ-KRWDZBQOSA-N 1 0 317.408 2.101 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC(C)(C)O2)[C@@H](C)C1 ZINC000252031436 402652302 /nfs/dbraw/zinc/65/23/02/402652302.db2.gz ZKHLLKPPVHTKHS-ZNMIVQPWSA-N 1 0 311.470 2.316 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CCC1CCOCC1 ZINC000173697034 402709164 /nfs/dbraw/zinc/70/91/64/402709164.db2.gz VYNQAMRMEAXBRC-SFHVURJKSA-N 1 0 318.461 2.482 10 0 DEAERO Cc1nc(-c2cccnc2)nc(N2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000173747406 402710364 /nfs/dbraw/zinc/71/03/64/402710364.db2.gz KDBOJWRZSPRPGE-MRXNPFEDSA-N 1 0 309.417 2.440 10 0 DEAERO c1ccc(CCOCCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173953281 402721428 /nfs/dbraw/zinc/72/14/28/402721428.db2.gz HJNUZTRJNNADMY-LJQANCHMSA-N 1 0 318.461 2.042 10 0 DEAERO CCc1cnc(CCNC(=O)NC[C@H](C)[NH+](CC)CC)s1 ZINC000173828491 402714719 /nfs/dbraw/zinc/71/47/19/402714719.db2.gz BIKFYTAGUQATFP-LBPRGKRZSA-N 1 0 312.483 2.278 10 0 DEAERO COc1ccccc1[C@@H](CNC1=[NH+]CCCN1)N1CCCCC1 ZINC000261721932 402716534 /nfs/dbraw/zinc/71/65/34/402716534.db2.gz FXHOMEGGYDIPBY-MRXNPFEDSA-N 1 0 316.449 2.161 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[C@@H]1CCCCO1 ZINC000182796152 402716801 /nfs/dbraw/zinc/71/68/01/402716801.db2.gz JTGSSCLAFQMBRJ-DLBZAZTESA-N 1 0 304.434 2.235 10 0 DEAERO CC[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000252801369 402661157 /nfs/dbraw/zinc/66/11/57/402661157.db2.gz CQDUFDVWRIWYTH-ZACQAIPSSA-N 1 0 317.433 2.252 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000253549521 402668746 /nfs/dbraw/zinc/66/87/46/402668746.db2.gz SLTJHGUSAFBHPU-BFYDXBDKSA-N 1 0 300.402 2.075 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000253549752 402668755 /nfs/dbraw/zinc/66/87/55/402668755.db2.gz WCKQUTWWDSIJSI-BFYDXBDKSA-N 1 0 318.392 2.214 10 0 DEAERO COc1ccccc1/C=C\CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000254936213 402672160 /nfs/dbraw/zinc/67/21/60/402672160.db2.gz IWKYTLZZFQYVAE-ICFKLAHKSA-N 1 0 304.434 2.095 10 0 DEAERO O=C(N1CC[C@@H](N2CCOCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000172741701 402672789 /nfs/dbraw/zinc/67/27/89/402672789.db2.gz KKXZGTULNSCECB-YMVOSSCXSA-N 1 0 318.461 2.136 10 0 DEAERO CCC[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000172751032 402673795 /nfs/dbraw/zinc/67/37/95/402673795.db2.gz HRQWIQYEGMGNSE-INIZCTEOSA-N 1 0 309.498 2.489 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802674 402676352 /nfs/dbraw/zinc/67/63/52/402676352.db2.gz YIIFRSICZGORAW-GVDBMIGSSA-N 1 0 307.482 2.336 10 0 DEAERO CC[C@@H]1CN(CCCOCc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000182341280 402682469 /nfs/dbraw/zinc/68/24/69/402682469.db2.gz VUZVYSALAWFXKY-IEBWSBKVSA-N 1 0 320.477 2.370 10 0 DEAERO Cc1cc(N2CC[C@H]([N@H+](C)CC3CCCCC3)C2=O)n(C)n1 ZINC000173183474 402687548 /nfs/dbraw/zinc/68/75/48/402687548.db2.gz WCZOUUZFGZCSFU-HNNXBMFYSA-N 1 0 304.438 2.346 10 0 DEAERO Cn1cccc1C[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191759849 402690057 /nfs/dbraw/zinc/69/00/57/402690057.db2.gz RAZIFAIUPAMKLC-INIZCTEOSA-N 1 0 301.365 2.055 10 0 DEAERO Cc1cc(C)n(CCCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000173338213 402693516 /nfs/dbraw/zinc/69/35/16/402693516.db2.gz AMOPTIJKJPFUCE-GDBMZVCRSA-N 1 0 321.469 2.014 10 0 DEAERO Cc1ccc(N2CC[C@H]([NH2+][C@H](CO)c3ccccc3)C2=O)cc1 ZINC000182895495 402725253 /nfs/dbraw/zinc/72/52/53/402725253.db2.gz HQIIVABBDSHHLS-ZWKOTPCHSA-N 1 0 310.397 2.424 10 0 DEAERO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262441049 402726214 /nfs/dbraw/zinc/72/62/14/402726214.db2.gz AXHLZTMBSHCPBI-BIVLZKPYSA-N 1 0 308.466 2.475 10 0 DEAERO COc1cc(-c2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)ncn1 ZINC000262516578 402726650 /nfs/dbraw/zinc/72/66/50/402726650.db2.gz NPWRDKKULXRKJY-NHCYSSNCSA-N 1 0 301.350 2.128 10 0 DEAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)NCC1CCCCC1 ZINC000182913007 402726888 /nfs/dbraw/zinc/72/68/88/402726888.db2.gz QCAUOMIRMRODLH-YOEHRIQHSA-N 1 0 304.434 2.395 10 0 DEAERO Cc1cccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000174150382 402729114 /nfs/dbraw/zinc/72/91/14/402729114.db2.gz SLBBGUFKQJDDKT-INIZCTEOSA-N 1 0 304.438 2.406 10 0 DEAERO Cc1nn(C)c(C)c1CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174176115 402730629 /nfs/dbraw/zinc/73/06/29/402730629.db2.gz WQHKHCABIGCSKA-MQVJKMGUSA-N 1 0 318.465 2.101 10 0 DEAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c(OC)c1 ZINC000183134310 402741996 /nfs/dbraw/zinc/74/19/96/402741996.db2.gz LTOUPDPTJYLVFW-HUBLWGQQSA-N 1 0 322.405 2.188 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1F)[C@H]1CCCO1 ZINC000183142833 402742958 /nfs/dbraw/zinc/74/29/58/402742958.db2.gz RUIPODJCICPMRU-UHIISALHSA-N 1 0 323.368 2.019 10 0 DEAERO Cc1cnc([C@H](C)CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000183189907 402745677 /nfs/dbraw/zinc/74/56/77/402745677.db2.gz ONXFQJTZTSJOQD-TZMCWYRMSA-N 1 0 322.478 2.435 10 0 DEAERO COc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)cc1Cl ZINC000183222850 402748703 /nfs/dbraw/zinc/74/87/03/402748703.db2.gz MOCWKKFZMJPRDK-MFKMUULPSA-N 1 0 312.797 2.444 10 0 DEAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCCC(=O)NC(N)=O ZINC000183221057 402748742 /nfs/dbraw/zinc/74/87/42/402748742.db2.gz XDSUNBWZZSRUNP-OAHLLOKOSA-N 1 0 303.406 2.265 10 0 DEAERO COc1ccccc1-c1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263238900 402748883 /nfs/dbraw/zinc/74/88/83/402748883.db2.gz OILGQKDLBBKMMR-WMZOPIPTSA-N 1 0 312.413 2.032 10 0 DEAERO COc1ccccc1-c1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263238897 402748934 /nfs/dbraw/zinc/74/89/34/402748934.db2.gz OILGQKDLBBKMMR-FUHWJXTLSA-N 1 0 312.413 2.032 10 0 DEAERO COc1ccccc1-c1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263238898 402749136 /nfs/dbraw/zinc/74/91/36/402749136.db2.gz OILGQKDLBBKMMR-SJLPKXTDSA-N 1 0 312.413 2.032 10 0 DEAERO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000192791853 402750555 /nfs/dbraw/zinc/75/05/55/402750555.db2.gz FQVBFUCESMKIIV-CVEARBPZSA-N 1 0 314.433 2.244 10 0 DEAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1c(OC(F)F)ccc2ccccc21 ZINC000263273187 402752654 /nfs/dbraw/zinc/75/26/54/402752654.db2.gz SLJKKQSPFRFOFH-IUODEOHRSA-N 1 0 322.355 2.111 10 0 DEAERO Cc1csc(CNC(=O)NCc2nccn2CC(C)C)n1 ZINC000174729561 402753756 /nfs/dbraw/zinc/75/37/56/402753756.db2.gz QLUVRONFPURRGE-UHFFFAOYSA-N 1 0 307.423 2.303 10 0 DEAERO CC[C@H](Oc1cccc(C)c1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263298569 402755848 /nfs/dbraw/zinc/75/58/48/402755848.db2.gz WTWGZLQLDDGYDN-CABCVRRESA-N 1 0 316.405 2.484 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCCCCO)C1 ZINC000192906256 402756064 /nfs/dbraw/zinc/75/60/64/402756064.db2.gz LPAFHHRDKQCBML-CQSZACIVSA-N 1 0 300.443 2.386 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(C(C)(C)c2ccccc2F)n1 ZINC000263312618 402757460 /nfs/dbraw/zinc/75/74/60/402757460.db2.gz YZOWVTYAXHROMK-CYBMUJFWSA-N 1 0 304.369 2.111 10 0 DEAERO COc1cc(-c2ccccc2)ccc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263316716 402757895 /nfs/dbraw/zinc/75/78/95/402757895.db2.gz ZNKTUJMSGLCSBM-ZWKOTPCHSA-N 1 0 312.413 2.032 10 0 DEAERO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H](C)c1ccccc1 ZINC000183336493 402758287 /nfs/dbraw/zinc/75/82/87/402758287.db2.gz WJASMHMLKAZORU-PMPSAXMXSA-N 1 0 324.490 2.440 10 0 DEAERO O=C(NC[C@H]1CCc2ccccc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174836277 402759916 /nfs/dbraw/zinc/75/99/16/402759916.db2.gz VLGFTNZNABXFLT-SJORKVTESA-N 1 0 311.429 2.372 10 0 DEAERO COC(=O)c1coc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000183370215 402760710 /nfs/dbraw/zinc/76/07/10/402760710.db2.gz XNTWCMVDOYEEFZ-CQSZACIVSA-N 1 0 322.405 2.307 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000174906272 402762282 /nfs/dbraw/zinc/76/22/82/402762282.db2.gz MCXGCRWAMHYUBO-HNNXBMFYSA-N 1 0 324.465 2.297 10 0 DEAERO CCCc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)n2ncnc2n1 ZINC000174924028 402763836 /nfs/dbraw/zinc/76/38/36/402763836.db2.gz HGBSMPXQNJZLHY-GJZGRUSLSA-N 1 0 314.437 2.140 10 0 DEAERO CSCCCC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000183414834 402765248 /nfs/dbraw/zinc/76/52/48/402765248.db2.gz DYMVNRSYTXIYHO-MRXNPFEDSA-N 1 0 322.474 2.013 10 0 DEAERO CC(C)NC(=O)CC[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174949807 402765961 /nfs/dbraw/zinc/76/59/61/402765961.db2.gz WDGFHMREWQAFEA-SFHVURJKSA-N 1 0 317.477 2.498 10 0 DEAERO Cc1cnc(CCN(C)C(=O)c2c[nH+]ccc2N(C)C)s1 ZINC000183615894 402782247 /nfs/dbraw/zinc/78/22/47/402782247.db2.gz CYHGUHAEHKVERH-UHFFFAOYSA-N 1 0 304.419 2.227 10 0 DEAERO COC(=O)c1coc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000183437483 402767360 /nfs/dbraw/zinc/76/73/60/402767360.db2.gz ZZABGKVNHHZDKA-UHFFFAOYSA-N 1 0 322.405 2.260 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(F)cc1 ZINC000193208303 402768466 /nfs/dbraw/zinc/76/84/66/402768466.db2.gz VZJVZGVYDDRPCX-CYBMUJFWSA-N 1 0 314.426 2.120 10 0 DEAERO O=C1NCCN(CCC[NH+]2CCCC2)[C@H]1c1ccccc1Cl ZINC000183511733 402773081 /nfs/dbraw/zinc/77/30/81/402773081.db2.gz IHNVSWXLHXXXPN-INIZCTEOSA-N 1 0 321.852 2.299 10 0 DEAERO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n(C)n1 ZINC000193603244 402773798 /nfs/dbraw/zinc/77/37/98/402773798.db2.gz AVODJUQIXACRNM-UHFFFAOYSA-N 1 0 312.417 2.254 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)c1ccccc1 ZINC000175047789 402774227 /nfs/dbraw/zinc/77/42/27/402774227.db2.gz VFWBEMZOTLPUAJ-NVXWUHKLSA-N 1 0 301.434 2.208 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccco2)no1 ZINC000175053993 402774734 /nfs/dbraw/zinc/77/47/34/402774734.db2.gz GAFFYZHIFQMKML-QWHCGFSZSA-N 1 0 302.378 2.388 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)c1cnn(C)c1C ZINC000174012570 402723395 /nfs/dbraw/zinc/72/33/95/402723395.db2.gz DFVPIQZGZOAUGC-NWANDNLSSA-N 1 0 319.453 2.058 10 0 DEAERO Cc1ccc(NCCCNC(=O)c2c[nH+]ccc2N(C)C)nc1 ZINC000183598121 402779966 /nfs/dbraw/zinc/77/99/66/402779966.db2.gz IXEIHOJTYBFYDV-UHFFFAOYSA-N 1 0 313.405 2.083 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000194310666 402791311 /nfs/dbraw/zinc/79/13/11/402791311.db2.gz KUDFKWCDUVCCLX-ZDUSSCGKSA-N 1 0 305.378 2.064 10 0 DEAERO COC(=O)c1coc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000183717768 402791349 /nfs/dbraw/zinc/79/13/49/402791349.db2.gz URRZSONJRJVNCH-AWEZNQCLSA-N 1 0 316.357 2.099 10 0 DEAERO CCC[C@H](C(=O)N1CC[C@@](C(=O)OCC)(C(C)C)C1)[NH+](C)C ZINC000194325168 402792437 /nfs/dbraw/zinc/79/24/37/402792437.db2.gz NGVRSSIEFYHYTH-PBHICJAKSA-N 1 0 312.454 2.155 10 0 DEAERO C[C@H]1COCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000194353556 402793638 /nfs/dbraw/zinc/79/36/38/402793638.db2.gz MWBKSMVEJMAIKJ-HOCLYGCPSA-N 1 0 322.424 2.389 10 0 DEAERO COC[C@H](NC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccco1 ZINC000175315280 402796589 /nfs/dbraw/zinc/79/65/89/402796589.db2.gz RHPHKZBFIXFMOA-KGLIPLIRSA-N 1 0 311.426 2.243 10 0 DEAERO CCN(C(C)=O)c1nc(CN(C)C[C@@H]2CCC[N@@H+]2CC)cs1 ZINC000175344515 402798894 /nfs/dbraw/zinc/79/88/94/402798894.db2.gz VLSHSTYIUNFVIZ-HNNXBMFYSA-N 1 0 324.494 2.432 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](COC)c2ccc(C)o2)C1 ZINC000175361579 402800093 /nfs/dbraw/zinc/80/00/93/402800093.db2.gz GRMUDMKGIXDGEZ-KGLIPLIRSA-N 1 0 309.410 2.059 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000175392899 402802379 /nfs/dbraw/zinc/80/23/79/402802379.db2.gz YUTDBFCACJROOB-CYBMUJFWSA-N 1 0 316.854 2.445 10 0 DEAERO C[C@H](NC(=O)CN1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000195337481 402842763 /nfs/dbraw/zinc/84/27/63/402842763.db2.gz BLYBBDLDMQPFHO-HNNXBMFYSA-N 1 0 301.434 2.034 10 0 DEAERO COCCC1(CNC(=O)c2c[nH+]ccc2N(C)C)CCCC1 ZINC000183911950 402804453 /nfs/dbraw/zinc/80/44/53/402804453.db2.gz GDAKQDUNTUIJDR-UHFFFAOYSA-N 1 0 305.422 2.474 10 0 DEAERO COCCCC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183911946 402804464 /nfs/dbraw/zinc/80/44/64/402804464.db2.gz KCLZMWUFIAYOGE-CYBMUJFWSA-N 1 0 302.212 2.499 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NCC1(CCO)CCCCC1 ZINC000183911245 402804498 /nfs/dbraw/zinc/80/44/98/402804498.db2.gz ULXLZWZXSGDWRZ-UHFFFAOYSA-N 1 0 305.422 2.210 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CSc2ccc(OC)cc2)C1 ZINC000194636113 402807461 /nfs/dbraw/zinc/80/74/61/402807461.db2.gz TXZFVDFXMMHUAB-CYBMUJFWSA-N 1 0 308.447 2.388 10 0 DEAERO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)c(C)n1-c1nccs1 ZINC000194697724 402810991 /nfs/dbraw/zinc/81/09/91/402810991.db2.gz CRGKUDJENZQROU-ZDUSSCGKSA-N 1 0 318.446 2.375 10 0 DEAERO Cc1cccc(C)c1OCC[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175589922 402819970 /nfs/dbraw/zinc/81/99/70/402819970.db2.gz KSZVYKQGEMDTEO-ZWKOTPCHSA-N 1 0 318.461 2.335 10 0 DEAERO CCC[C@@H](C(=O)NCc1ncc(-c2ccccc2)cn1)[NH+](C)C ZINC000184141442 402821348 /nfs/dbraw/zinc/82/13/48/402821348.db2.gz OUEIBXQCARSVHX-INIZCTEOSA-N 1 0 312.417 2.490 10 0 DEAERO Cc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)nc1 ZINC000184245854 402830077 /nfs/dbraw/zinc/83/00/77/402830077.db2.gz MKIIITOYMXHQEE-CQSZACIVSA-N 1 0 318.421 2.107 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCO[C@@H]1C(C)C ZINC000175773415 402831061 /nfs/dbraw/zinc/83/10/61/402831061.db2.gz YQQWICXFIZQGDH-BZUAXINKSA-N 1 0 313.486 2.467 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000175773760 402831235 /nfs/dbraw/zinc/83/12/35/402831235.db2.gz OQEHQWSTWHEKFK-GOEBONIOSA-N 1 0 321.469 2.096 10 0 DEAERO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000195196259 402835806 /nfs/dbraw/zinc/83/58/06/402835806.db2.gz GOQOAJNKMUFXMV-KRWDZBQOSA-N 1 0 323.437 2.148 10 0 DEAERO COC(=O)c1ccc(NC[C@@H](c2ccco2)[NH+](C)C)nc1OC ZINC000184327253 402836097 /nfs/dbraw/zinc/83/60/97/402836097.db2.gz RAIYBMORGUCUJY-LBPRGKRZSA-N 1 0 319.361 2.185 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC000175850467 402837823 /nfs/dbraw/zinc/83/78/23/402837823.db2.gz PKJWRNVXMQYCOW-HNNXBMFYSA-N 1 0 319.348 2.174 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000175847934 402838094 /nfs/dbraw/zinc/83/80/94/402838094.db2.gz UTJAUVFUVZVTJX-INIZCTEOSA-N 1 0 323.824 2.403 10 0 DEAERO O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195262506 402839576 /nfs/dbraw/zinc/83/95/76/402839576.db2.gz VHTRFOWIGJMAFV-UZGDPCLZSA-N 1 0 324.346 2.487 10 0 DEAERO CN(C[C@H]1CCCO1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000175954465 402844499 /nfs/dbraw/zinc/84/44/99/402844499.db2.gz WIEOKGDUBKMDKJ-MRXNPFEDSA-N 1 0 323.412 2.078 10 0 DEAERO CC(C)(Oc1ccc(F)cc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195316975 402841591 /nfs/dbraw/zinc/84/15/91/402841591.db2.gz FMCOCFBSAFSWDU-CQSZACIVSA-N 1 0 306.381 2.290 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(O)c(F)c2)CC[N@@H+]1C ZINC000175191590 402786384 /nfs/dbraw/zinc/78/63/84/402786384.db2.gz YSWATNWQTYDCEG-AAEUAGOBSA-N 1 0 309.385 2.155 10 0 DEAERO CCCC[N@H+](C)CC1CCN(Cc2nnnn2C(C)C)CC1 ZINC000195432011 402845086 /nfs/dbraw/zinc/84/50/86/402845086.db2.gz UFVOMSMAPVPRFH-UHFFFAOYSA-N 1 0 308.474 2.198 10 0 DEAERO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502411 402847597 /nfs/dbraw/zinc/84/75/97/402847597.db2.gz ZVWTZAJEGUOTQZ-OAHLLOKOSA-N 1 0 318.465 2.391 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505801 402848022 /nfs/dbraw/zinc/84/80/22/402848022.db2.gz ZCDRKOMNPYFOMP-OAHLLOKOSA-N 1 0 304.438 2.380 10 0 DEAERO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506415 402848084 /nfs/dbraw/zinc/84/80/84/402848084.db2.gz SYAHEBHYSHVBMS-QLFBSQMISA-N 1 0 318.465 2.482 10 0 DEAERO O=C(NC[C@H]1CCCC[C@H]1O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176024586 402848514 /nfs/dbraw/zinc/84/85/14/402848514.db2.gz YYWYIUBTOGNVJB-RHSMWYFYSA-N 1 0 323.481 2.244 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000278975901 402892227 /nfs/dbraw/zinc/89/22/27/402892227.db2.gz JKYFGQJILZJNLU-NVXWUHKLSA-N 1 0 317.433 2.272 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]CCN2CCC(C)CC2)C12CCOCC2 ZINC000186246074 286281508 /nfs/dbraw/zinc/28/15/08/286281508.db2.gz ZTAGBYKCDXHOBC-IAGOWNOFSA-N 1 0 310.482 2.282 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2nccn2C)C12CCOCC2 ZINC000248644359 286288821 /nfs/dbraw/zinc/28/88/21/286288821.db2.gz PTQSWXLIUHLESN-RRFJBIMHSA-N 1 0 307.438 2.435 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3c2cccc3O)C[N@@H+]1C1CC1 ZINC000267864336 403041172 /nfs/dbraw/zinc/04/11/72/403041172.db2.gz JSJGRZNKNZHLMD-WQGACYEGSA-N 1 0 315.417 2.304 10 0 DEAERO Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCOC2)N2CCOCC2)s1 ZINC000246578591 292256167 /nfs/dbraw/zinc/25/61/67/292256167.db2.gz YNFVUMYFPFBUHW-PMPSAXMXSA-N 1 0 324.490 2.444 10 0 DEAERO CCO[C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261858783 286299166 /nfs/dbraw/zinc/29/91/66/286299166.db2.gz SBQDYCYSSZMZEJ-RRFJBIMHSA-N 1 0 308.809 2.238 10 0 DEAERO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000275717101 403117878 /nfs/dbraw/zinc/11/78/78/403117878.db2.gz YUEFHEKEVLMAST-KKUMJFAQSA-N 1 0 316.449 2.126 10 0 DEAERO Cc1nc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c(C)s1 ZINC000269744671 403162838 /nfs/dbraw/zinc/16/28/38/403162838.db2.gz MSQFBPTZJFRKDV-UHFFFAOYSA-N 1 0 323.462 2.135 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000331181800 403347340 /nfs/dbraw/zinc/34/73/40/403347340.db2.gz RMRCKBQXLVBOBQ-AWEZNQCLSA-N 1 0 317.433 2.274 10 0 DEAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1coc(Br)c1 ZINC000298572904 403416752 /nfs/dbraw/zinc/41/67/52/403416752.db2.gz ABBCVZSEQDKSHD-MNOVXSKESA-N 1 0 313.195 2.399 10 0 DEAERO Cc1nocc1CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000293229482 403420620 /nfs/dbraw/zinc/42/06/20/403420620.db2.gz KNRBBBLRAPFNIP-SFHVURJKSA-N 1 0 315.417 2.364 10 0 DEAERO CNC(=O)c1cccnc1NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000301357108 403619922 /nfs/dbraw/zinc/61/99/22/403619922.db2.gz KXBQXXCGKOJHIX-ZIAGYGMSSA-N 1 0 304.438 2.221 10 0 DEAERO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000340466419 403621454 /nfs/dbraw/zinc/62/14/54/403621454.db2.gz YWIAXVYROLQVKJ-NEPJUHHUSA-N 1 0 302.415 2.336 10 0 DEAERO COc1ccc(C)nc1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333113226 403668243 /nfs/dbraw/zinc/66/82/43/403668243.db2.gz GWEJDNSSHXVGOP-AWEZNQCLSA-N 1 0 318.421 2.252 10 0 DEAERO CCC[C@@H]([NH3+])c1cn(CC(=O)N(CC)Cc2ccccc2)nn1 ZINC000304085214 403766346 /nfs/dbraw/zinc/76/63/46/403766346.db2.gz LSXMFSJAULKGFE-OAHLLOKOSA-N 1 0 315.421 2.127 10 0 DEAERO C[N@@H+]1CCO[C@H]2CN(c3ccnc4c(F)cc(F)cc34)C[C@H]21 ZINC000302545023 403711659 /nfs/dbraw/zinc/71/16/59/403711659.db2.gz UKYQHSYIURGINJ-CABCVRRESA-N 1 0 305.328 2.032 10 0 DEAERO COc1cc(Cl)ccc1CNC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333281262 403714792 /nfs/dbraw/zinc/71/47/92/403714792.db2.gz MNHMJJJFYJSMQQ-UHFFFAOYSA-N 1 0 323.824 2.386 10 0 DEAERO C[C@@H]1CN(c2ncc(C(F)(F)F)s2)CC[N@@H+]1CC(C)(C)O ZINC000302780381 403724832 /nfs/dbraw/zinc/72/48/32/403724832.db2.gz RHXSYPNKNPZHML-SECBINFHSA-N 1 0 323.384 2.443 10 0 DEAERO CCO[C@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C12CCC2 ZINC000333357408 403733938 /nfs/dbraw/zinc/73/39/38/403733938.db2.gz KOAVAGJBEHCMQC-CABCVRRESA-N 1 0 321.465 2.119 10 0 DEAERO O=C(N[C@@H]1CCOC2(CCCCC2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333372346 403736389 /nfs/dbraw/zinc/73/63/89/403736389.db2.gz MPRHZBPAZCVTQG-CABCVRRESA-N 1 0 309.454 2.310 10 0 DEAERO O=C(NC[C@H]1SCCc2ccccc21)N[C@@H]1CCCC[NH2+]C1 ZINC000333390208 403741397 /nfs/dbraw/zinc/74/13/97/403741397.db2.gz ORKRUTYGLQMFEZ-GDBMZVCRSA-N 1 0 319.474 2.458 10 0 DEAERO C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000333660892 403807076 /nfs/dbraw/zinc/80/70/76/403807076.db2.gz LNTVDFULSDSPLZ-WQVCFCJDSA-N 1 0 321.396 2.049 10 0 DEAERO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333660774 403807079 /nfs/dbraw/zinc/80/70/79/403807079.db2.gz BAZOMRWOLZRFTJ-QFSBIZTOSA-N 1 0 315.396 2.430 10 0 DEAERO CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCc3nnnn3CC2)cs1 ZINC000333714874 403830122 /nfs/dbraw/zinc/83/01/22/403830122.db2.gz IWEWIGNBJLPQJU-GHMZBOCLSA-N 1 0 306.439 2.309 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCC[C@H]2O)C12CCOCC2 ZINC000249001832 286389536 /nfs/dbraw/zinc/38/95/36/286389536.db2.gz NCSGXTMNVYIGOI-YLFCFFPRSA-N 1 0 311.466 2.491 10 0 DEAERO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000343942391 403802789 /nfs/dbraw/zinc/80/27/89/403802789.db2.gz AIHWBNFUUVDJMZ-ROUUACIJSA-N 1 0 310.397 2.428 10 0 DEAERO Cc1ccn(-c2ccc(C(=O)N3CCC4(CC[NH2+]4)CC3)cc2)n1 ZINC000333763769 403851701 /nfs/dbraw/zinc/85/17/01/403851701.db2.gz AVXYHZNSKQERNC-UHFFFAOYSA-N 1 0 310.401 2.149 10 0 DEAERO O[C@]1(C[NH2+][C@H]2CCCSC2)CCN(Cc2ccccc2)C1 ZINC000341245699 403863085 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COCCC1(C)CN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000358604982 292299459 /nfs/dbraw/zinc/29/94/59/292299459.db2.gz MTGKRFHUYRZGQE-LSDHHAIUSA-N 1 0 311.470 2.317 10 0 DEAERO c1cn(CC2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)nn1 ZINC000369475281 404106498 /nfs/dbraw/zinc/10/64/98/404106498.db2.gz CVQXHISEOCKCNB-UHFFFAOYSA-N 1 0 312.377 2.173 10 0 DEAERO Cn1cncc1C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000328631800 404120595 /nfs/dbraw/zinc/12/05/95/404120595.db2.gz KXINZJBYHUIYSS-STQMWFEESA-N 1 0 308.426 2.184 10 0 DEAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328653919 404125465 /nfs/dbraw/zinc/12/54/65/404125465.db2.gz XBSRIVYRJNSEFL-HNNXBMFYSA-N 1 0 304.438 2.294 10 0 DEAERO CN(C(=O)CN1C[C@]2(CCOC2)OC(C)(C)C1)C1CCCCC1 ZINC000369558735 404141679 /nfs/dbraw/zinc/14/16/79/404141679.db2.gz ZHJRKIOMLROIRA-SFHVURJKSA-N 1 0 324.465 2.047 10 0 DEAERO c1nc2ncnc(N3CCC[C@H](c4ncc5n4CCCC5)C3)c2[nH]1 ZINC000369750989 404216554 /nfs/dbraw/zinc/21/65/54/404216554.db2.gz SJALDUPBXBAQSY-LBPRGKRZSA-N 1 0 323.404 2.270 10 0 DEAERO Cc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2C)o1 ZINC000290569486 404222869 /nfs/dbraw/zinc/22/28/69/404222869.db2.gz WODDRYFAKIVRQT-WCQYABFASA-N 1 0 301.394 2.056 10 0 DEAERO Cc1cc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2ccn(C)c2)on1 ZINC000355067412 404194591 /nfs/dbraw/zinc/19/45/91/404194591.db2.gz KEZKCHMFEVYBPO-HOTGVXAUSA-N 1 0 320.412 2.366 10 0 DEAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC(C)(C)C1 ZINC000329037569 404208755 /nfs/dbraw/zinc/20/87/55/404208755.db2.gz RRTANFMILPGDKU-ZOMKSWQUSA-N 1 0 318.465 2.496 10 0 DEAERO CO[C@H]1C[C@@H](CO)[N@H+](CCOc2cccc3ccccc32)C1 ZINC000344723084 404331977 /nfs/dbraw/zinc/33/19/77/404331977.db2.gz ILCRAJHWDZCKHF-HOTGVXAUSA-N 1 0 301.386 2.300 10 0 DEAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000344668426 404295346 /nfs/dbraw/zinc/29/53/46/404295346.db2.gz ANUYXMOXKQQAMD-STQMWFEESA-N 1 0 319.323 2.209 10 0 DEAERO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccncc3F)n1)OC2 ZINC000329371039 404317565 /nfs/dbraw/zinc/31/75/65/404317565.db2.gz AWPRLZXAOFEIIU-DOMZBBRYSA-N 1 0 304.325 2.197 10 0 DEAERO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nnnn2C2CC2)C1 ZINC000329625912 404398479 /nfs/dbraw/zinc/39/84/79/404398479.db2.gz OSSHKWBWNUOIAC-OJLVUWQFSA-N 1 0 319.453 2.160 10 0 DEAERO Cn1nccc1CC[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000338568893 404409506 /nfs/dbraw/zinc/40/95/06/404409506.db2.gz AQTMXDRRLNEIFP-CJNGLKHVSA-N 1 0 307.344 2.049 10 0 DEAERO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)n1 ZINC000374072420 404686226 /nfs/dbraw/zinc/68/62/26/404686226.db2.gz PTMLLJSEEVUSGJ-REWJHTLYSA-N 1 0 309.410 2.116 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)C3CCCCC3)[C@@H]2C1 ZINC000567542420 292320821 /nfs/dbraw/zinc/32/08/21/292320821.db2.gz HYDVEZDIVQMYPA-MHORFTMASA-N 1 0 308.466 2.164 10 0 DEAERO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCCNCc1cccnc1 ZINC000414880072 404756692 /nfs/dbraw/zinc/75/66/92/404756692.db2.gz PRTMBCOUSZAUBH-UHFFFAOYSA-N 1 0 322.416 2.136 10 0 DEAERO c1cc(OC[C@H]2CCCO2)ccc1CN[C@@H]1CCCC[NH2+]C1 ZINC000415065292 404799302 /nfs/dbraw/zinc/79/93/02/404799302.db2.gz FVDMXKUJSRFIPP-SJLPKXTDSA-N 1 0 304.434 2.476 10 0 DEAERO Cc1nccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1 ZINC000366494827 404803381 /nfs/dbraw/zinc/80/33/81/404803381.db2.gz ZZGMUEVGUGLOKS-CQSZACIVSA-N 1 0 316.449 2.256 10 0 DEAERO CCC[N@H+](C)CC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000360484784 404828954 /nfs/dbraw/zinc/82/89/54/404828954.db2.gz RLDWUGJKYSAKDY-UHFFFAOYSA-N 1 0 302.418 2.423 10 0 DEAERO COc1ccccc1N1CCC[C@@H]([NH2+]CC2=CCCOC2)C1=O ZINC000378188781 404887536 /nfs/dbraw/zinc/88/75/36/404887536.db2.gz FMSVKCMVCQKMDA-OAHLLOKOSA-N 1 0 316.401 2.127 10 0 DEAERO c1cc(-c2ccc(C[NH2+][C@@H]3CCO[C@]4(CCOC4)C3)o2)n[nH]1 ZINC000366822980 404853327 /nfs/dbraw/zinc/85/33/27/404853327.db2.gz HBSSDFSOSBMNRS-MLGOLLRUSA-N 1 0 303.362 2.097 10 0 DEAERO 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QFFNKMQPMXNTKR-KMFMINBZSA-N 1 0 317.433 2.059 10 0 DEAERO COC[C@@H](C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)OC ZINC000361272908 405002662 /nfs/dbraw/zinc/00/26/62/405002662.db2.gz QLUFMRPVZFOYQE-OAHLLOKOSA-N 1 0 309.406 2.393 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2ncccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000379661923 405027825 /nfs/dbraw/zinc/02/78/25/405027825.db2.gz GTWMMXJMZUKTCP-GDBMZVCRSA-N 1 0 324.428 2.447 10 0 DEAERO O=C(CCCCO)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000381797797 405031104 /nfs/dbraw/zinc/03/11/04/405031104.db2.gz QFQDUIYDVLYRMJ-OKZBNKHCSA-N 1 0 316.445 2.176 10 0 DEAERO Cc1nn(C)c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1Br ZINC000384909263 405034299 /nfs/dbraw/zinc/03/42/99/405034299.db2.gz PPJMXKVPAGGRHW-FXBDTBDDSA-N 1 0 302.216 2.147 10 0 DEAERO Cn1cnnc1C1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000378512633 404989202 /nfs/dbraw/zinc/98/92/02/404989202.db2.gz QGNCSUSQJOVXSE-UHFFFAOYSA-N 1 0 312.377 2.178 10 0 DEAERO C[C@@H]([NH2+]Cc1c(Br)cnn1C)[C@@H]1CCCOC1 ZINC000388948002 405036473 /nfs/dbraw/zinc/03/64/73/405036473.db2.gz HLCPIVOHUCLCEA-NXEZZACHSA-N 1 0 302.216 2.087 10 0 DEAERO CC[N@@H+]1C[C@H](C)N(Cc2nc3oc(C)c(C)c3c(N)n2)C[C@@H]1C ZINC000408048648 405098147 /nfs/dbraw/zinc/09/81/47/405098147.db2.gz ZABMLCLISHIGME-QWRGUYRKSA-N 1 0 317.437 2.336 10 0 DEAERO C[C@]1(CNC(=O)CCCCO)CCC[N@@H+]1Cc1ccccc1 ZINC000397983319 405059850 /nfs/dbraw/zinc/05/98/50/405059850.db2.gz NBJKANGIJJNHCL-GOSISDBHSA-N 1 0 304.434 2.320 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ncccc1N ZINC000398032043 405060581 /nfs/dbraw/zinc/06/05/81/405060581.db2.gz GYWMUSRNFALGGQ-RHSMWYFYSA-N 1 0 324.428 2.304 10 0 DEAERO CC[C@@H]1CCCC[C@@H]1C[NH2+]CCCN(CC)S(C)(=O)=O ZINC000401282388 405063248 /nfs/dbraw/zinc/06/32/48/405063248.db2.gz DRHQJWPGIKWENL-HUUCEWRRSA-N 1 0 304.500 2.464 10 0 DEAERO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000407979000 405082817 /nfs/dbraw/zinc/08/28/17/405082817.db2.gz MTDQUMQSFXNXNU-XUWVNRHRSA-N 1 0 323.481 2.011 10 0 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405159082 /nfs/dbraw/zinc/15/90/82/405159082.db2.gz SRQQOHUJAGRGBQ-UHFFFAOYSA-N 1 0 317.433 2.352 10 0 DEAERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)[C@@](C)(O)C(C)C)C1)CCCC2 ZINC000408387053 405193934 /nfs/dbraw/zinc/19/39/34/405193934.db2.gz VYCZOLKXXLFCNC-KDOFPFPSSA-N 1 0 319.449 2.251 10 0 DEAERO Cc1ccncc1CCC[NH2+][C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000368014543 405215546 /nfs/dbraw/zinc/21/55/46/405215546.db2.gz GMKCBXFUJVNHSA-SFHVURJKSA-N 1 0 324.428 2.222 10 0 DEAERO c1c[nH]c([C@H]2CCC[N@H+]2CCc2nnnn2-c2ccccc2)c1 ZINC000438754546 405254221 /nfs/dbraw/zinc/25/42/21/405254221.db2.gz PNIRNEANTKJTCS-MRXNPFEDSA-N 1 0 308.389 2.370 10 0 DEAERO COc1ccc(Cl)cc1CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454261328 405319760 /nfs/dbraw/zinc/31/97/60/405319760.db2.gz BHVPGHOSBZTSIF-SMDDNHRTSA-N 1 0 323.824 2.194 10 0 DEAERO COC[C@H](NC(=O)NCC1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC000445863103 405359300 /nfs/dbraw/zinc/35/93/00/405359300.db2.gz KPUGGAJQJWJWLK-HNNXBMFYSA-N 1 0 323.412 2.297 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCc2ccc(OC)cc2CC1 ZINC000440048553 405300411 /nfs/dbraw/zinc/30/04/11/405300411.db2.gz DGNXILKUKCUVKW-GOSISDBHSA-N 1 0 316.445 2.497 10 0 DEAERO C[NH+](C)CCn1nccc1NC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000455659787 405441496 /nfs/dbraw/zinc/44/14/96/405441496.db2.gz RGSRSROELUVFPX-NSHDSACASA-N 1 0 315.368 2.144 10 0 DEAERO c1nc2n(c1C[NH2+]Cc1cc(-c3cccnc3)n[nH]1)CCCC2 ZINC000556408895 405480301 /nfs/dbraw/zinc/48/03/01/405480301.db2.gz IXJFNZHWXPPXCX-UHFFFAOYSA-N 1 0 308.389 2.294 10 0 DEAERO COc1nsc(CN[C@H](C)CC[NH+](C)C)c1Br ZINC000638468923 405490174 /nfs/dbraw/zinc/49/01/74/405490174.db2.gz ZKZVMEFQSGJEHB-MRVPVSSYSA-N 1 0 322.272 2.344 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(F)cc1Br ZINC000638568114 405549845 /nfs/dbraw/zinc/54/98/45/405549845.db2.gz ILHCDGXOMMOPIE-NWDGAFQWSA-N 1 0 315.186 2.459 10 0 DEAERO COCCC1(C)CN(C(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000458855643 405627897 /nfs/dbraw/zinc/62/78/97/405627897.db2.gz QRQUSCJSIUPULC-UHFFFAOYSA-N 1 0 311.470 2.321 10 0 DEAERO C(CN1CCC([NH2+]CC2CCCCCC2)CC1)N1CCOCC1 ZINC000449486025 405580030 /nfs/dbraw/zinc/58/00/30/405580030.db2.gz PVRZKWRGPGUVPQ-UHFFFAOYSA-N 1 0 323.525 2.343 10 0 DEAERO [NH3+]CCCOCCNC(=O)CCc1ccc(Cl)cc1Cl ZINC000638656388 405598547 /nfs/dbraw/zinc/59/85/47/405598547.db2.gz DRGSRTCIEWOWAK-UHFFFAOYSA-N 1 0 319.232 2.408 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)CSc2ccc(F)c(F)c2)C[NH2+]1 ZINC000638657704 405600107 /nfs/dbraw/zinc/60/01/07/405600107.db2.gz NAXJHAJNDZYPOV-NXEZZACHSA-N 1 0 300.374 2.314 10 0 DEAERO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCCC(F)(F)C2)CCSC1 ZINC000494422289 405694577 /nfs/dbraw/zinc/69/45/77/405694577.db2.gz BQTVPKOIVMMWOB-YPMHNXCESA-N 1 0 321.437 2.301 10 0 DEAERO c1ccc(COC2CC([NH2+]CC3(N4CCOCC4)CC3)C2)cc1 ZINC000494467841 405705575 /nfs/dbraw/zinc/70/55/75/405705575.db2.gz HSSXVPUNSPVGHH-UHFFFAOYSA-N 1 0 316.445 2.189 10 0 DEAERO COc1nsc(C[NH2+][C@H]2CCC[C@H](O)C2)c1Br ZINC000638857649 405718540 /nfs/dbraw/zinc/71/85/40/405718540.db2.gz HAJVIBFELWMNMG-YUMQZZPRSA-N 1 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/nfs/dbraw/zinc/92/48/25/405924825.db2.gz KHQARAYIJWHTCK-ZDUSSCGKSA-N 1 0 317.376 2.323 10 0 DEAERO c1n[nH]cc1CC[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000639189168 405956309 /nfs/dbraw/zinc/95/63/09/405956309.db2.gz DJKUHKGPDPKPKJ-UHFFFAOYSA-N 1 0 308.389 2.200 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C)cc(C(=O)OC)c2)C1 ZINC000457602014 405914945 /nfs/dbraw/zinc/91/49/45/405914945.db2.gz FNRXIZYTVVSLCE-CQSZACIVSA-N 1 0 318.417 2.195 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)[C@@H](C)c1ccc(Cl)cc1 ZINC000459729034 406023474 /nfs/dbraw/zinc/02/34/74/406023474.db2.gz ZWHYIVBBUIKVLY-XUJVJEKNSA-N 1 0 308.813 2.074 10 0 DEAERO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000450897482 405985454 /nfs/dbraw/zinc/98/54/54/405985454.db2.gz QALPZPQXIYAXCV-HHXXYDBFSA-N 1 0 319.445 2.421 10 0 DEAERO COCCN(C)c1ccc(C[NH+]2CC(C)(CCOC)C2)cn1 ZINC000459642081 405994991 /nfs/dbraw/zinc/99/49/91/405994991.db2.gz YRZAOMNPOLHDGE-UHFFFAOYSA-N 1 0 307.438 2.023 10 0 DEAERO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@](O)(CO)C2)c1C ZINC000459656250 405998540 /nfs/dbraw/zinc/99/85/40/405998540.db2.gz VMYLISMNARKGAJ-SFHVURJKSA-N 1 0 305.418 2.134 10 0 DEAERO CCC(CC)N(CCOC)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000460246476 406080463 /nfs/dbraw/zinc/08/04/63/406080463.db2.gz PIFKQYAJAWIUNM-UHFFFAOYSA-N 1 0 311.470 2.485 10 0 DEAERO C(c1noc(CN2CCC(C[NH+]3CCCC3)CC2)n1)C1CC1 ZINC000639451855 406095216 /nfs/dbraw/zinc/09/52/16/406095216.db2.gz ILQXEANBPNFGLT-UHFFFAOYSA-N 1 0 304.438 2.330 10 0 DEAERO CC1(C)C[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1O ZINC000562618003 406044865 /nfs/dbraw/zinc/04/48/65/406044865.db2.gz ZDHOZNHVDSFHAP-OCCSQVGLSA-N 1 0 317.351 2.312 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)CS1 ZINC000639327186 406046594 /nfs/dbraw/zinc/04/65/94/406046594.db2.gz LMPNHJSMJAYARN-BPQIPLTHSA-N 1 0 319.518 2.286 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)CS1 ZINC000639327187 406046659 /nfs/dbraw/zinc/04/66/59/406046659.db2.gz LMPNHJSMJAYARN-KBAYOESNSA-N 1 0 319.518 2.286 10 0 DEAERO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532125092 406048114 /nfs/dbraw/zinc/04/81/14/406048114.db2.gz ZSWQUBMLWFXILE-KBPBESRZSA-N 1 0 312.454 2.345 10 0 DEAERO C(c1noc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)n1)C1CC1 ZINC000639497272 406114943 /nfs/dbraw/zinc/11/49/43/406114943.db2.gz JRORHPNLDSZDFN-HNNXBMFYSA-N 1 0 304.438 2.330 10 0 DEAERO c1nc2n(n1)[C@H](C[N@H+]1CC[C@H](COCc3ccccc3)C1)CC2 ZINC000639499402 406116214 /nfs/dbraw/zinc/11/62/14/406116214.db2.gz AQFHFXQYQYGAFG-IRXDYDNUSA-N 1 0 312.417 2.304 10 0 DEAERO C(c1nc(C2CCC2)no1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000639625228 406176206 /nfs/dbraw/zinc/17/62/06/406176206.db2.gz RFSIXKOMEIVZQM-HNNXBMFYSA-N 1 0 320.437 2.024 10 0 DEAERO CC(=O)c1cc(C(=O)N2CCC[C@H]2C[NH+](C)C)c(C)nc1C ZINC000487162494 406210204 /nfs/dbraw/zinc/21/02/04/406210204.db2.gz QYZYVWCBJOFCMG-AWEZNQCLSA-N 1 0 303.406 2.067 10 0 DEAERO Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCNc1cc[nH+]cc1 ZINC000535260786 406217072 /nfs/dbraw/zinc/21/70/72/406217072.db2.gz KERLFVZHNGPDFZ-KRWDZBQOSA-N 1 0 310.401 2.211 10 0 DEAERO c1cnn(-c2cccc(C[NH2+][C@H]3CCO[C@]4(CCOC4)C3)c2)c1 ZINC000536403271 406257044 /nfs/dbraw/zinc/25/70/44/406257044.db2.gz UMEAAGWDDDVNKM-FUHWJXTLSA-N 1 0 313.401 2.300 10 0 DEAERO CN(CCOCc1ccccc1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762478 406271815 /nfs/dbraw/zinc/27/18/15/406271815.db2.gz YGWAIHXPMJSQIL-WMZOPIPTSA-N 1 0 302.418 2.051 10 0 DEAERO COc1cc(C(=O)N(C)CCC[NH+](C)C)ccc1OC(F)F ZINC000537213584 406286503 /nfs/dbraw/zinc/28/65/03/406286503.db2.gz GNVAOIRLGGAPKT-UHFFFAOYSA-N 1 0 316.348 2.320 10 0 DEAERO c1nc(N2CCCCC2)cc(N2CCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000634812293 406296126 /nfs/dbraw/zinc/29/61/26/406296126.db2.gz DZTUFFLBVCZIOE-LSDHHAIUSA-N 1 0 301.438 2.045 10 0 DEAERO c1nc2c(ncnc2N[C@@H]2CCC[NH2+]CC2)n1-c1ccccc1 ZINC000634813303 406296883 /nfs/dbraw/zinc/29/68/83/406296883.db2.gz GMBCMZOXOGCWHQ-CYBMUJFWSA-N 1 0 308.389 2.370 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cncnc2)[C@@H]1c1cccs1 ZINC000546891185 406386243 /nfs/dbraw/zinc/38/62/43/406386243.db2.gz AJVIGKMBITYHLN-SWLSCSKDSA-N 1 0 316.430 2.351 10 0 DEAERO Cc1nc(CCNC(=O)NCC[N@H+]2CC=C(C)CC2)sc1C ZINC000547271842 406394765 /nfs/dbraw/zinc/39/47/65/406394765.db2.gz ARFUAYPCFHBXFW-UHFFFAOYSA-N 1 0 322.478 2.254 10 0 DEAERO C([NH2+][C@@H](C1CC1)[C@H]1CNCCO1)C1([C@H]2CCCCO2)CCC1 ZINC000635012521 406399935 /nfs/dbraw/zinc/39/99/35/406399935.db2.gz MVEWJYNALBJHKG-ZACQAIPSSA-N 1 0 308.466 2.082 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]CCCOC2CCCCC2)CC1 ZINC000634951455 406367004 /nfs/dbraw/zinc/36/70/04/406367004.db2.gz WRQORSGEGJQQAU-CQSZACIVSA-N 1 0 303.468 2.283 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]CCc2c(F)cccc2F)CC1 ZINC000634953755 406368115 /nfs/dbraw/zinc/36/81/15/406368115.db2.gz JFYUYBHYVZIFFN-LLVKDONJSA-N 1 0 303.374 2.064 10 0 DEAERO O=S1(=O)CCC[C@H]([NH2+]CCc2c(F)cccc2F)CC1 ZINC000634953756 406368437 /nfs/dbraw/zinc/36/84/37/406368437.db2.gz JFYUYBHYVZIFFN-NSHDSACASA-N 1 0 303.374 2.064 10 0 DEAERO C[C@H](C[NH2+][C@H]1CCCS(=O)(=O)CC1)N(C)Cc1ccccc1 ZINC000634961499 406373131 /nfs/dbraw/zinc/37/31/31/406373131.db2.gz WITQXUQMRPVETK-WBVHZDCISA-N 1 0 324.490 2.064 10 0 DEAERO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634974731 406381146 /nfs/dbraw/zinc/38/11/46/406381146.db2.gz JEDWFAVZYVYSEC-WBVHZDCISA-N 1 0 324.490 2.064 10 0 DEAERO CC[C@]1(CO)CCCN(CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000547974766 406463472 /nfs/dbraw/zinc/46/34/72/406463472.db2.gz INSSOEDNNUHKLL-INIZCTEOSA-N 1 0 323.462 2.055 10 0 DEAERO Cc1ccc2[nH]c(CNC(=O)NC[C@H]3CCC[N@@H+](C)C3)nc2c1 ZINC000525821055 406507257 /nfs/dbraw/zinc/50/72/57/406507257.db2.gz ZRMZHTCQRLOFBN-CYBMUJFWSA-N 1 0 315.421 2.012 10 0 DEAERO CSc1ccc(C)c(NC(=O)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000525853088 406510960 /nfs/dbraw/zinc/51/09/60/406510960.db2.gz PNUCYKNEWLJICD-UHFFFAOYSA-N 1 0 323.462 2.066 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCCC(C)(C)C ZINC000638014501 406524012 /nfs/dbraw/zinc/52/40/12/406524012.db2.gz FIFKNRWVRFXAAT-INIZCTEOSA-N 1 0 305.466 2.388 10 0 DEAERO CCc1cnc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000548992069 406571280 /nfs/dbraw/zinc/57/12/80/406571280.db2.gz UKLSCIPZZYNPLK-SWLSCSKDSA-N 1 0 310.463 2.363 10 0 DEAERO CC1CC[NH+](CC(=O)NCc2ccncc2C(F)(F)F)CC1 ZINC000552006968 406668990 /nfs/dbraw/zinc/66/89/90/406668990.db2.gz OWHBATBSKYMMFX-UHFFFAOYSA-N 1 0 315.339 2.449 10 0 DEAERO O[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000527570565 406679088 /nfs/dbraw/zinc/67/90/88/406679088.db2.gz UVIQQUZTKYCASU-RRFJBIMHSA-N 1 0 312.373 2.195 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+]CC[C@H]1CCCOC1 ZINC000527741186 406735276 /nfs/dbraw/zinc/73/52/76/406735276.db2.gz YJLIGMQRMBPOBY-MRXNPFEDSA-N 1 0 300.406 2.233 10 0 DEAERO c1c(C[NH2+]CCOc2ccc3c(c2)OCO3)onc1C1CC1 ZINC000638400447 406748566 /nfs/dbraw/zinc/74/85/66/406748566.db2.gz YGNKJSJANMFMQL-UHFFFAOYSA-N 1 0 302.330 2.449 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[C@@H]1CC1(F)F ZINC000638439234 406772786 /nfs/dbraw/zinc/77/27/86/406772786.db2.gz DCDXRRNBYWURFI-IACUBPJLSA-N 1 0 312.360 2.081 10 0 DEAERO CC(=O)c1ccc2c(c1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC000635734579 406715488 /nfs/dbraw/zinc/71/54/88/406715488.db2.gz FZXWGVKZLPRHFY-HNNXBMFYSA-N 1 0 314.429 2.158 10 0 DEAERO COc1cnc(NC(=O)N2CCC[C@H]2Cn2ccnc2C)s1 ZINC000554368987 406794930 /nfs/dbraw/zinc/79/49/30/406794930.db2.gz ZQKNUTLFPVDNAV-NSHDSACASA-N 1 0 321.406 2.353 10 0 DEAERO C[C@@H](C(=O)N1CCO[C@@H](c2ccccc2Cl)C1)C1C[NH2+]C1 ZINC000262583013 286756361 /nfs/dbraw/zinc/75/63/61/286756361.db2.gz UUUQLRURFRNJIL-IAQYHMDHSA-N 1 0 308.809 2.095 10 0 DEAERO CCc1nc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cs1 ZINC000554937697 406829791 /nfs/dbraw/zinc/82/97/91/406829791.db2.gz MEZYTFRMWDXBRP-WFASDCNBSA-N 1 0 310.463 2.363 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2cccc(O)c2)[C@H](C)C1 ZINC000128935773 196005466 /nfs/dbraw/zinc/00/54/66/196005466.db2.gz KYIGEEUNWIXQOW-PBHICJAKSA-N 1 0 319.449 2.306 10 0 DEAERO Cc1nonc1COc1ccc(Br)c(CC[NH3+])c1 ZINC000129145173 196022343 /nfs/dbraw/zinc/02/23/43/196022343.db2.gz ZZSLWRPGGVDSBP-UHFFFAOYSA-N 1 0 312.167 2.221 10 0 DEAERO C[NH2+][C@H](C)c1cc(Br)ccc1-n1ccc(C(N)=O)n1 ZINC000129226707 196031326 /nfs/dbraw/zinc/03/13/26/196031326.db2.gz FWHPKKBQYAVUGZ-MRVPVSSYSA-N 1 0 323.194 2.014 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1csc(-c2ccccn2)n1 ZINC000129245067 196031741 /nfs/dbraw/zinc/03/17/41/196031741.db2.gz TUUJLOXHQGRXFE-FOSCPWQOSA-N 1 0 314.414 2.218 10 0 DEAERO C[C@H](CS(=O)(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000129240621 196032273 /nfs/dbraw/zinc/03/22/73/196032273.db2.gz WRAUMFZESSWLOK-CQSZACIVSA-N 1 0 310.463 2.099 10 0 DEAERO [NH3+][C@H](C(=O)Nc1ncccc1Br)c1ccccc1 ZINC000129438786 196048475 /nfs/dbraw/zinc/04/84/75/196048475.db2.gz AYYRVBIIUBYVIU-NSHDSACASA-N 1 0 306.163 2.483 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000129632522 196063392 /nfs/dbraw/zinc/06/33/92/196063392.db2.gz SOAJBBZSOARLCA-LLVKDONJSA-N 1 0 324.222 2.481 10 0 DEAERO CC1(C)[C@H]([NH2+]Cc2ccc(O)c(Br)c2)C[C@@H]1O ZINC000129657400 196066003 /nfs/dbraw/zinc/06/60/03/196066003.db2.gz RUTJKXGGLQHUMR-NEPJUHHUSA-N 1 0 300.196 2.404 10 0 DEAERO CN([C@@H]1CCS(=O)(=O)C1)C1(C[NH3+])CC(C)(C)CC(C)(C)C1 ZINC000129756066 196073260 /nfs/dbraw/zinc/07/32/60/196073260.db2.gz RJESFJLHPOCSJW-CYBMUJFWSA-N 1 0 316.511 2.039 10 0 DEAERO COc1cnn(C)c1[C@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000129975289 196083787 /nfs/dbraw/zinc/08/37/87/196083787.db2.gz ARGOJHBZKVCGLO-LLVKDONJSA-N 1 0 301.268 2.375 10 0 DEAERO COc1ccc(C(N)=S)c(N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000130629382 196097061 /nfs/dbraw/zinc/09/70/61/196097061.db2.gz CMIOYJDKNJOFBJ-GFCCVEGCSA-N 1 0 305.447 2.004 10 0 DEAERO CC[C@@H]1N[C@@H](c2ccsc2)N(C[C@@H](C)[NH+]2CCCC2)C1=O ZINC000130799868 196111524 /nfs/dbraw/zinc/11/15/24/196111524.db2.gz NHQUMDKQSNVADT-VHDGCEQUSA-N 1 0 307.463 2.441 10 0 DEAERO CC(C)c1nc(CN2CC[C@H](N3CCC([NH3+])CC3)C2)cs1 ZINC000130821070 196113066 /nfs/dbraw/zinc/11/30/66/196113066.db2.gz NIBKIIGQDVDXEK-HNNXBMFYSA-N 1 0 308.495 2.264 10 0 DEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCC[C@H](C)SC)cc1 ZINC000130936788 196123971 /nfs/dbraw/zinc/12/39/71/196123971.db2.gz YRNCYMRCPQKEKP-NWDGAFQWSA-N 1 0 316.492 2.387 10 0 DEAERO CCCc1nnsc1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000131010762 196131337 /nfs/dbraw/zinc/13/13/37/196131337.db2.gz PVQZEYCOTCYUFT-UHFFFAOYSA-N 1 0 302.403 2.389 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000131175393 196146298 /nfs/dbraw/zinc/14/62/98/196146298.db2.gz WUMTXASJSUGHJL-ZDUSSCGKSA-N 1 0 304.843 2.300 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)c1ccc2c(c1)OCO2 ZINC000131172187 196146791 /nfs/dbraw/zinc/14/67/91/196146791.db2.gz OSRVXPJDACEUDG-UHFFFAOYSA-N 1 0 301.346 2.198 10 0 DEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)c1ccccc1OC(F)F ZINC000131204091 196149082 /nfs/dbraw/zinc/14/90/82/196149082.db2.gz SCGUCRHWBCHORY-NSHDSACASA-N 1 0 307.362 2.373 10 0 DEAERO CN(C)c1cccc(NS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000131321641 196160227 /nfs/dbraw/zinc/16/02/27/196160227.db2.gz FWNDUXIKOIEHKM-ZDUSSCGKSA-N 1 0 311.451 2.027 10 0 DEAERO CC(C)(C)[C@H]1CCN(S(=O)(=O)c2cc(C[NH3+])ccc2F)C1 ZINC000131362931 196162074 /nfs/dbraw/zinc/16/20/74/196162074.db2.gz FNIPZHRQLQPEGP-LBPRGKRZSA-N 1 0 314.426 2.341 10 0 DEAERO O=C(Cc1cnc2ccccc2c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000131398719 196165264 /nfs/dbraw/zinc/16/52/64/196165264.db2.gz MDEGHKBVKUGLPQ-KRWDZBQOSA-N 1 0 309.413 2.474 10 0 DEAERO CC(C)[C@](C)(O)c1c(Br)cnn1CC[NH+](C)C ZINC000131405060 196165636 /nfs/dbraw/zinc/16/56/36/196165636.db2.gz BEMBNMAOKAFZLK-LBPRGKRZSA-N 1 0 304.232 2.071 10 0 DEAERO CCC[NH2+][C@@H](Cc1cccc(F)c1F)[C@H](C)S(C)(=O)=O ZINC000131486029 196173753 /nfs/dbraw/zinc/17/37/53/196173753.db2.gz JOQGTAAHTHTIHB-GWCFXTLKSA-N 1 0 305.390 2.309 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cnc2ccccc2c1 ZINC000131509703 196175769 /nfs/dbraw/zinc/17/57/69/196175769.db2.gz UHWWLFZBVHAUKR-RHSMWYFYSA-N 1 0 309.413 2.472 10 0 DEAERO C[NH2+]Cc1csc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000131787347 196199243 /nfs/dbraw/zinc/19/92/43/196199243.db2.gz ASEMPQHPEUWAAL-MNOVXSKESA-N 1 0 302.465 2.134 10 0 DEAERO COCCN(CCOC)[C@H](C[NH3+])c1cccc(C(F)F)c1 ZINC000131881126 196207425 /nfs/dbraw/zinc/20/74/25/196207425.db2.gz PYDMNCZSRPFUOR-CQSZACIVSA-N 1 0 302.365 2.219 10 0 DEAERO O=S(=O)(c1ccc(NC[C@H]2CC[NH2+]C2)cc1)C(F)(F)F ZINC000131923086 196210615 /nfs/dbraw/zinc/21/06/15/196210615.db2.gz KEQOMFCDJUXCIE-VIFPVBQESA-N 1 0 308.325 2.002 10 0 DEAERO CC(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000132161661 196231361 /nfs/dbraw/zinc/23/13/61/196231361.db2.gz XLTDWTHWMVHJSH-GJZGRUSLSA-N 1 0 302.484 2.026 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000132340251 196247174 /nfs/dbraw/zinc/24/71/74/196247174.db2.gz JHUYAGQUNNHPHP-ONGSHHINSA-N 1 0 314.838 2.310 10 0 DEAERO CCS(=O)(=O)CCOc1ccc([C@@H](C)[NH2+]C)cc1Cl ZINC000132366039 196250227 /nfs/dbraw/zinc/25/02/27/196250227.db2.gz FVBVJELHUFJREK-SNVBAGLBSA-N 1 0 305.827 2.434 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(OCC(=O)NCCOC)c(Cl)c1 ZINC000132424851 196254730 /nfs/dbraw/zinc/25/47/30/196254730.db2.gz YDUYAIDDOJHODX-LLVKDONJSA-N 1 0 314.813 2.152 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(F)c1 ZINC000132815192 196285742 /nfs/dbraw/zinc/28/57/42/196285742.db2.gz DOWAQFIYXBKONG-INIZCTEOSA-N 1 0 316.376 2.320 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1[C@@](C)(O)C1(C)CC1 ZINC000132838434 196289171 /nfs/dbraw/zinc/28/91/71/196289171.db2.gz DZHWMKZWLNRTEP-CYBMUJFWSA-N 1 0 316.243 2.215 10 0 DEAERO C[NH+](C)CCn1ncc(Br)c1[C@](C)(O)C(C)(C)C ZINC000133028374 196306268 /nfs/dbraw/zinc/30/62/68/196306268.db2.gz ZPBGJROPOZDING-ZDUSSCGKSA-N 1 0 318.259 2.461 10 0 DEAERO COc1ccc(Br)cc1C[C@@H](O)[C@@H]1CCC[NH2+]C1 ZINC000133044094 196307540 /nfs/dbraw/zinc/30/75/40/196307540.db2.gz YBPUOVLEDDRORG-ZWNOBZJWSA-N 1 0 314.223 2.361 10 0 DEAERO O[C@@H](Cc1ccc(F)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000133055648 196308603 /nfs/dbraw/zinc/30/86/03/196308603.db2.gz WGQVXXCJKHYGLU-MFKMUULPSA-N 1 0 302.187 2.491 10 0 DEAERO O[C@@H](Cc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000133076039 196309924 /nfs/dbraw/zinc/30/99/24/196309924.db2.gz GGKBZFHHOLLZLG-RNCFNFMXSA-N 1 0 302.187 2.491 10 0 DEAERO CCOC(=O)c1csc(N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)n1 ZINC000133161220 196316846 /nfs/dbraw/zinc/31/68/46/196316846.db2.gz SJTCVIQCISHYJZ-RYUDHWBXSA-N 1 0 309.435 2.383 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000133253424 196325044 /nfs/dbraw/zinc/32/50/44/196325044.db2.gz FAXURQFBWQFGSK-ZDUSSCGKSA-N 1 0 310.360 2.336 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CC[C@H](NC(C)=O)C1 ZINC000133811835 196337125 /nfs/dbraw/zinc/33/71/25/196337125.db2.gz OEMHQBJJEKSPBX-JYJNAYRXSA-N 1 0 309.841 2.329 10 0 DEAERO C(OC1CC[NH2+]CC1)c1nn2c(nnc2C2CCCC2)s1 ZINC000134020834 196353730 /nfs/dbraw/zinc/35/37/30/196353730.db2.gz FJTVDSMHSRJUBQ-UHFFFAOYSA-N 1 0 307.423 2.112 10 0 DEAERO C[NH+](C)CCn1ncc(Cl)c1C(=O)[C@H]1CSCCS1 ZINC000134210377 196370733 /nfs/dbraw/zinc/37/07/33/196370733.db2.gz PPRRGFMAFYCYLX-SNVBAGLBSA-N 1 0 319.883 2.129 10 0 DEAERO CCC[NH+](CCC)CCCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134262876 196375183 /nfs/dbraw/zinc/37/51/83/196375183.db2.gz MHHFVTVMEUFZBT-AWEZNQCLSA-N 1 0 306.454 2.458 10 0 DEAERO CCc1nn(C)c(C[C@@H](C[C@@H](C)OC)[NH2+]C)c1Br ZINC000134465978 196393961 /nfs/dbraw/zinc/39/39/61/196393961.db2.gz SWVQFBNPYFIOJM-NXEZZACHSA-N 1 0 318.259 2.301 10 0 DEAERO C[C@](C[NH3+])(Nc1ccccc1S(C)(=O)=O)c1ccccc1 ZINC000134474756 196394875 /nfs/dbraw/zinc/39/48/75/196394875.db2.gz LQJKDPPKEZFYBX-MRXNPFEDSA-N 1 0 304.415 2.376 10 0 DEAERO CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000136866327 196555020 /nfs/dbraw/zinc/55/50/20/196555020.db2.gz MUIMEXNIEPKCRE-AWEZNQCLSA-N 1 0 309.479 2.156 10 0 DEAERO CO[C@H](C)CCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190622863 225091299 /nfs/dbraw/zinc/09/12/99/225091299.db2.gz DASGJGGZERTVOH-WBVHZDCISA-N 1 0 319.449 2.177 10 0 DEAERO COc1ccc([C@@H]2CCCN2C(=O)[C@@]2(F)CC[NH2+]C2)c(OC)c1 ZINC000408513564 227236116 /nfs/dbraw/zinc/23/61/16/227236116.db2.gz QDDFDIWNRVQSPV-WMLDXEAASA-N 1 0 322.380 2.069 10 0 DEAERO C[C@H](c1ccc(F)cc1)[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000299752865 229396085 /nfs/dbraw/zinc/39/60/85/229396085.db2.gz VUJYHEAMPUMBJI-SJKOYZFVSA-N 1 0 320.408 2.238 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nccnc1N(C)C ZINC000302211579 230168712 /nfs/dbraw/zinc/16/87/12/230168712.db2.gz ZKKWSHOXQJGZOR-HOCLYGCPSA-N 1 0 311.433 2.475 10 0 DEAERO O[C@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccc(Cl)cc1 ZINC000105883989 424849565 /nfs/dbraw/zinc/84/95/65/424849565.db2.gz AFNDGCGAWAQBAO-XJKSGUPXSA-N 1 0 320.824 2.377 10 0 DEAERO Cn1ccnc1CC1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000105876674 424849590 /nfs/dbraw/zinc/84/95/90/424849590.db2.gz JFUHBGKLNKVPQD-UHFFFAOYSA-N 1 0 305.344 2.254 10 0 DEAERO COC(=O)c1coc(C[NH+]2CCC(Cc3nccn3C)CC2)c1 ZINC000105876812 424849709 /nfs/dbraw/zinc/84/97/09/424849709.db2.gz KVCYAMIYNUAFOL-UHFFFAOYSA-N 1 0 317.389 2.254 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 ZINC000194641943 424877349 /nfs/dbraw/zinc/87/73/49/424877349.db2.gz MGPZWGRDSJOJSQ-UKRRQHHQSA-N 1 0 322.836 2.492 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000384078968 424910546 /nfs/dbraw/zinc/91/05/46/424910546.db2.gz VFHGRMVIVQGXRV-FGTMMUONSA-N 1 0 316.445 2.427 10 0 DEAERO c1cc2c(cc1CN1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000387028412 424913052 /nfs/dbraw/zinc/91/30/52/424913052.db2.gz FAKPXAQLDKFVQP-HZPDHXFCSA-N 1 0 302.418 2.422 10 0 DEAERO Cc1cc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)nn1C1CCCCC1 ZINC000333313731 424920880 /nfs/dbraw/zinc/92/08/80/424920880.db2.gz LZUMWQMYUQSEGF-DOMZBBRYSA-N 1 0 319.453 2.816 10 0 DEAERO CC(C)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404151853 424925549 /nfs/dbraw/zinc/92/55/49/424925549.db2.gz QBZASLDSHIVVRU-DLBZAZTESA-N 1 0 302.418 2.144 10 0 DEAERO O[C@]1(CC[NH2+]Cc2ccc(F)c(Br)c2)CCOC1 ZINC000404197584 424925923 /nfs/dbraw/zinc/92/59/23/424925923.db2.gz IITIVBCGKRXEIE-CYBMUJFWSA-N 1 0 318.186 2.219 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2sccc2Br)CCOC1 ZINC000404219384 424926123 /nfs/dbraw/zinc/92/61/23/424926123.db2.gz QYGHAXVLAHSNRP-NSHDSACASA-N 1 0 306.225 2.142 10 0 DEAERO C[C@H](O)CCCN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404219064 424926136 /nfs/dbraw/zinc/92/61/36/424926136.db2.gz WGUITJKECAIZRJ-QXAKKESOSA-N 1 0 318.461 2.123 10 0 DEAERO CC[N@H+](CCNC(=O)c1nscc1Br)C1CC1 ZINC000404871815 424930163 /nfs/dbraw/zinc/93/01/63/424930163.db2.gz UUSHDHRQWLGWCP-UHFFFAOYSA-N 1 0 318.240 2.120 10 0 DEAERO COC[C@@H](C)n1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000249576206 424887565 /nfs/dbraw/zinc/88/75/65/424887565.db2.gz POWMZZGQLCBKTH-ZIAGYGMSSA-N 1 0 323.441 2.086 10 0 DEAERO CC(C)n1ncnc1CN[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309806255 424893685 /nfs/dbraw/zinc/89/36/85/424893685.db2.gz LHHUNRFDXDKGOH-HNNXBMFYSA-N 1 0 301.438 2.469 10 0 DEAERO CCC[NH+](CCO)CCCNc1cc(C)c2ccccc2n1 ZINC000584603133 424991319 /nfs/dbraw/zinc/99/13/19/424991319.db2.gz OIPKBTCUQCRFGZ-UHFFFAOYSA-N 1 0 301.434 3.050 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000081096294 267377955 /nfs/dbraw/zinc/37/79/55/267377955.db2.gz LFADHMHNYADZQF-WBVHZDCISA-N 1 0 303.450 2.312 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)CC1=O ZINC000657694421 425387281 /nfs/dbraw/zinc/38/72/81/425387281.db2.gz MIBFKCUQDQFQTC-SNVBAGLBSA-N 1 0 315.186 2.156 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nccn1CC(F)(F)F ZINC000113266974 267414817 /nfs/dbraw/zinc/41/48/17/267414817.db2.gz GKCMTYXGSCHMNB-VXGBXAGGSA-N 1 0 302.344 2.114 10 0 DEAERO CCc1cc(NC[C@@H]2CCCO[C@H]2c2ccnn2C)cc[nH+]1 ZINC000664502842 425398226 /nfs/dbraw/zinc/39/82/26/425398226.db2.gz LUEMGNQXOVOHBO-SUMWQHHRSA-N 1 0 300.406 2.379 10 0 DEAERO CCCCOCCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000173315963 267473346 /nfs/dbraw/zinc/47/33/46/267473346.db2.gz OHDUMOHYLLCYGV-HOTGVXAUSA-N 1 0 311.470 2.461 10 0 DEAERO CO[C@@H]1CN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC[C@@H]1C ZINC000187372058 267661455 /nfs/dbraw/zinc/66/14/55/267661455.db2.gz BPDSMIWJJDBTAJ-GOEBONIOSA-N 1 0 311.470 2.173 10 0 DEAERO CC(C)CCC[C@@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192804485 267745237 /nfs/dbraw/zinc/74/52/37/267745237.db2.gz DMDZTLXABQCDJI-HZPDHXFCSA-N 1 0 313.486 2.347 10 0 DEAERO [NH3+]C[C@@H]1c2ccccc2CCN1c1ncncc1Br ZINC000227724321 268578213 /nfs/dbraw/zinc/57/82/13/268578213.db2.gz SOLGIXADJBIPHG-CYBMUJFWSA-N 1 0 319.206 2.302 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CO)C1 ZINC000230679988 268581155 /nfs/dbraw/zinc/58/11/55/268581155.db2.gz SEDVMKNRXMQTDV-RBSFLKMASA-N 1 0 312.454 2.384 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333466946 268950385 /nfs/dbraw/zinc/95/03/85/268950385.db2.gz ACEPCEMZQYZYSY-GXTWGEPZSA-N 1 0 321.469 2.449 10 0 DEAERO CC(C)(C)[C@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000333898981 269002314 /nfs/dbraw/zinc/00/23/14/269002314.db2.gz ZMZLXVCEGPLDOY-ZIAGYGMSSA-N 1 0 309.454 2.118 10 0 DEAERO CC(C)C[C@@H]1C(=O)NCCCN1C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000334130746 269022881 /nfs/dbraw/zinc/02/28/81/269022881.db2.gz UCLQSIAWSHUKOC-XUWVNRHRSA-N 1 0 323.481 2.011 10 0 DEAERO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCCOCc2ccccc2)C1 ZINC000390703814 269097753 /nfs/dbraw/zinc/09/77/53/269097753.db2.gz AUQYBAKASZAXLN-NVXWUHKLSA-N 1 0 304.434 2.488 10 0 DEAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC(C)(C)O2)c1 ZINC000519144253 269410801 /nfs/dbraw/zinc/41/08/01/269410801.db2.gz XPHNEFSEFVZTLQ-RDJZCZTQSA-N 1 0 321.417 2.176 10 0 DEAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000362186578 273553775 /nfs/dbraw/zinc/55/37/75/273553775.db2.gz ZOVZCYKQURCJTE-OCCSQVGLSA-N 1 0 305.340 2.215 10 0 DEAERO CCC1(CC)[C@H]([NH2+]Cc2cccnc2-n2cncn2)C[C@@H]1OC ZINC000181505184 273602669 /nfs/dbraw/zinc/60/26/69/273602669.db2.gz FDOLUCPQGHZWNJ-CABCVRRESA-N 1 0 315.421 2.346 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)C1 ZINC000245441666 273805832 /nfs/dbraw/zinc/80/58/32/273805832.db2.gz VPJGTZBWWXDDIC-OWCLPIDISA-N 1 0 319.453 2.102 10 0 DEAERO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCCN1C ZINC000154510945 274207121 /nfs/dbraw/zinc/20/71/21/274207121.db2.gz JFYHTGGJAULTEK-RYUDHWBXSA-N 1 0 310.829 2.136 10 0 DEAERO Brc1cccc2c1CC[C@H]2[NH2+]CCc1nnc[nH]1 ZINC000091377358 275374279 /nfs/dbraw/zinc/37/42/79/275374279.db2.gz SVUVHIHWELQIBP-GFCCVEGCSA-N 1 0 307.195 2.387 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cnn(Cc2ccccc2)c1 ZINC000042481258 276117871 /nfs/dbraw/zinc/11/78/71/276117871.db2.gz ACNBJKHUVCRINV-OAHLLOKOSA-N 1 0 314.433 2.392 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1cccc(OC)c1 ZINC000174786700 276182944 /nfs/dbraw/zinc/18/29/44/276182944.db2.gz OHBWJBYLRYNUOQ-INIZCTEOSA-N 1 0 319.449 2.440 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3cc(F)ccc3O2)[C@H](C)C1 ZINC000076484016 276223451 /nfs/dbraw/zinc/22/34/51/276223451.db2.gz GPKIOUKTFPXLDM-PVUWLOKVSA-N 1 0 320.408 2.318 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1snnc1C(C)(C)C ZINC000191955801 276363962 /nfs/dbraw/zinc/36/39/62/276363962.db2.gz HIASYVHFMOYJSI-LLVKDONJSA-N 1 0 310.467 2.440 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000076490521 276398408 /nfs/dbraw/zinc/39/84/08/276398408.db2.gz CQPZWGCZUJCVPA-KMFMINBZSA-N 1 0 302.418 2.179 10 0 DEAERO CCO[C@@H]1C[C@](O)(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1(C)C ZINC000249074957 276484064 /nfs/dbraw/zinc/48/40/64/276484064.db2.gz LOGGDBXYVSVVJH-DWJZYCCASA-N 1 0 311.466 2.346 10 0 DEAERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000248812578 277111367 /nfs/dbraw/zinc/11/13/67/277111367.db2.gz HYEVBFPDPSMSTE-PVAVHDDUSA-N 1 0 316.401 2.419 10 0 DEAERO CN1CCO[C@H](C[NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000129456563 277127682 /nfs/dbraw/zinc/12/76/82/277127682.db2.gz XHCAVYUEEDDDKV-GFCCVEGCSA-N 1 0 306.303 2.265 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)NCC2CCOCC2)[C@@H]1c1ccccc1 ZINC000179189634 277166740 /nfs/dbraw/zinc/16/67/40/277166740.db2.gz OMPVQDHBBIBCHM-IRXDYDNUSA-N 1 0 317.433 2.158 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000170896327 277435568 /nfs/dbraw/zinc/43/55/68/277435568.db2.gz ZVTROSOTPRFTIW-JKSUJKDBSA-N 1 0 321.469 2.243 10 0 DEAERO C[C@@H](C(=O)NC1(c2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000262163946 277550472 /nfs/dbraw/zinc/55/04/72/277550472.db2.gz JMDCWIDYJGVJJA-SNVBAGLBSA-N 1 0 323.234 2.410 10 0 DEAERO COc1ccccc1C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(C)C ZINC000180486540 278051456 /nfs/dbraw/zinc/05/14/56/278051456.db2.gz WGAKPZDORHDIKM-SJORKVTESA-N 1 0 306.450 2.183 10 0 DEAERO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000118642035 278452330 /nfs/dbraw/zinc/45/23/30/278452330.db2.gz NEYSFDRRVWYUNT-XDQVBPFNSA-N 1 0 324.465 2.329 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186212422 279064067 /nfs/dbraw/zinc/06/40/67/279064067.db2.gz ROHZLBCPHPRJGP-PMPSAXMXSA-N 1 0 309.454 2.070 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000246448335 279124967 /nfs/dbraw/zinc/12/49/67/279124967.db2.gz VFZVPXQOTQNPGA-MELADBBJSA-N 1 0 301.500 2.498 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)COC)c1cccc(OC)c1 ZINC000103362479 279164257 /nfs/dbraw/zinc/16/42/57/279164257.db2.gz ZCULCLSKBCROSI-RHSMWYFYSA-N 1 0 322.449 2.477 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261546064 279238481 /nfs/dbraw/zinc/23/84/81/279238481.db2.gz KQZJXBQCUNSYTO-RDJZCZTQSA-N 1 0 303.450 2.094 10 0 DEAERO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000245416094 279358141 /nfs/dbraw/zinc/35/81/41/279358141.db2.gz DWZZGCKBQTYURK-LSDHHAIUSA-N 1 0 307.442 2.006 10 0 DEAERO C[C@H]1CCN(C(=O)c2cncc(Br)c2)[C@@H](C[NH3+])C1 ZINC000235612118 279714014 /nfs/dbraw/zinc/71/40/14/279714014.db2.gz FJPGWDWFWKZPQJ-JOYOIKCWSA-N 1 0 312.211 2.044 10 0 DEAERO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000245515033 280020114 /nfs/dbraw/zinc/02/01/14/280020114.db2.gz PUIBAUFVSDDVEK-KBPBESRZSA-N 1 0 314.451 2.382 10 0 DEAERO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000262566849 280998164 /nfs/dbraw/zinc/99/81/64/280998164.db2.gz WVPBLMNSMWUIEE-CVEARBPZSA-N 1 0 302.418 2.365 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC(=O)OC(C)(C)C ZINC000192324671 288308292 /nfs/dbraw/zinc/30/82/92/288308292.db2.gz OEKGJSMQULQXPU-UONOGXRCSA-N 1 0 310.438 2.194 10 0 DEAERO CN(Cc1ccc(F)cc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073235758 289046211 /nfs/dbraw/zinc/04/62/11/289046211.db2.gz PPNDEOIYJNVFPF-UHFFFAOYSA-N 1 0 323.412 2.078 10 0 DEAERO C[C@H](C(=O)N1CCSc2ccccc21)N1CC[C@](C)(C[NH3+])C1 ZINC000261689673 289296701 /nfs/dbraw/zinc/29/67/01/289296701.db2.gz HJYOAAMFTLFCTQ-CXAGYDPISA-N 1 0 319.474 2.185 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)c1cnn2c1CCCC2)C1CCCCC1 ZINC000126953107 289363400 /nfs/dbraw/zinc/36/34/00/289363400.db2.gz XIGLVBYIPFMDNU-QGZVFWFLSA-N 1 0 318.465 2.460 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3CC[C@H](C)C[C@@H]3C[NH3+])cc2)c1 ZINC000261909313 292986050 /nfs/dbraw/zinc/98/60/50/292986050.db2.gz XHPLCBPTLLYLKZ-SUMWQHHRSA-N 1 0 312.417 2.380 10 0 DEAERO Cc1nc(C)c(C(=O)N2CCC([NH+]3CCCC3)CC2)nc1C ZINC000184754377 293213014 /nfs/dbraw/zinc/21/30/14/293213014.db2.gz KBUNZWJEWOAMTG-UHFFFAOYSA-N 1 0 302.422 2.102 10 0 DEAERO NC(=O)NC(=O)CCC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000357617028 295069243 /nfs/dbraw/zinc/06/92/43/295069243.db2.gz GAYJZRINOYEIAN-UHFFFAOYSA-N 1 0 303.406 2.411 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1CN1CCSCC1)C1C[NH2+]C1 ZINC000262322835 298196279 /nfs/dbraw/zinc/19/62/79/298196279.db2.gz FNLWHPXLIOHPJV-ZDUSSCGKSA-N 1 0 319.474 2.029 10 0 DEAERO C[C@H](CCC(C)(C)C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248586115 298374871 /nfs/dbraw/zinc/37/48/71/298374871.db2.gz GDPCXZDYKYNXGK-ILXRZTDVSA-N 1 0 313.486 2.298 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1snnc1C(C)(C)C ZINC000248982938 300319772 /nfs/dbraw/zinc/31/97/72/300319772.db2.gz UCNKBJWKRWBZOR-QWRGUYRKSA-N 1 0 308.451 2.144 10 0 DEAERO Cc1cc(C)c(C)c(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1C ZINC000262778483 301180037 /nfs/dbraw/zinc/18/00/37/301180037.db2.gz OHIUGYROFJYSBE-DOMZBBRYSA-N 1 0 310.463 2.197 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000246061983 302097733 /nfs/dbraw/zinc/09/77/33/302097733.db2.gz AQIYBGCACGBOAI-DOTOQJQBSA-N 1 0 304.434 2.453 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1OCCc2ccccc21 ZINC000261646698 303364129 /nfs/dbraw/zinc/36/41/29/303364129.db2.gz ACMXJVOOXSMMOU-JLDOPYBVSA-N 1 0 314.429 2.323 10 0 DEAERO CCC1(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CCOCC1 ZINC000572738494 325974594 /nfs/dbraw/zinc/97/45/94/325974594.db2.gz HKSKPXYDKIWAJH-HOTGVXAUSA-N 1 0 311.466 2.351 10 0 DEAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000573822357 326096481 /nfs/dbraw/zinc/09/64/81/326096481.db2.gz MDAGRFBNONLISL-GOEBONIOSA-N 1 0 315.421 2.100 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(C)nc2)C12CCOCC2 ZINC000186333055 332921905 /nfs/dbraw/zinc/92/19/05/332921905.db2.gz SGVDZWZTJLEUTQ-DLBZAZTESA-N 1 0 304.434 2.496 10 0 DEAERO C[C@@H](NC(=O)Nc1nncs1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185941354 332275055 /nfs/dbraw/zinc/27/50/55/332275055.db2.gz BNKOWGYJZCOASR-PWSUYJOCSA-N 1 0 305.407 2.351 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000187617710 332978486 /nfs/dbraw/zinc/97/84/86/332978486.db2.gz COIUCDJEYBOZBP-ZFWWWQNUSA-N 1 0 310.438 2.179 10 0 DEAERO COC[C@H](C)C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000187715858 332984352 /nfs/dbraw/zinc/98/43/52/332984352.db2.gz RYFJEEDCOMQTAS-CZUORRHYSA-N 1 0 306.406 2.176 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189913210 335119120 /nfs/dbraw/zinc/11/91/20/335119120.db2.gz QXXWNRZSILAIMX-UHFFFAOYSA-N 1 0 321.469 2.165 10 0 DEAERO Cn1nccc1CC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000582229244 336035243 /nfs/dbraw/zinc/03/52/43/336035243.db2.gz YGDMVIYTBLXYDW-CQSZACIVSA-N 1 0 307.438 2.406 10 0 DEAERO COc1ccccc1OCC[NH2+]C[C@H](O)COC1CCCCC1 ZINC000584627910 337376251 /nfs/dbraw/zinc/37/62/51/337376251.db2.gz QUDMZEGKJLBQBP-HNNXBMFYSA-N 1 0 323.433 2.374 10 0 DEAERO CCC(CC)[C@H](O)C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192583810 341876283 /nfs/dbraw/zinc/87/62/83/341876283.db2.gz WERAABXAONREQK-CQSZACIVSA-N 1 0 308.447 2.487 10 0 DEAERO FC(F)(F)CN1CCC([NH2+]C[C@@H]2CCc3nccn3C2)CC1 ZINC000328639412 534387131 /nfs/dbraw/zinc/38/71/31/534387131.db2.gz PLPDLLANWMPJJH-LBPRGKRZSA-N 1 0 316.371 2.062 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)C2([NH3+])Cc3ccccc3C2)c1 ZINC000366324899 519452806 /nfs/dbraw/zinc/45/28/06/519452806.db2.gz BUQLXUSPTYVATB-UHFFFAOYSA-N 1 0 323.396 2.104 10 0 DEAERO CC(C)CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246878736 519685545 /nfs/dbraw/zinc/68/55/45/519685545.db2.gz DNNVCHIXIIRZLT-CVEARBPZSA-N 1 0 323.481 2.001 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000156762284 519775262 /nfs/dbraw/zinc/77/52/62/519775262.db2.gz IZMQYWBKJGELRX-HNNXBMFYSA-N 1 0 321.469 2.275 10 0 DEAERO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000245916784 519847248 /nfs/dbraw/zinc/84/72/48/519847248.db2.gz NHBKRIFZIKKERN-YJBOKZPZSA-N 1 0 307.434 2.397 10 0 DEAERO CCCC(=O)NCC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000103971601 519871590 /nfs/dbraw/zinc/87/15/90/519871590.db2.gz VTUAJGRAICPJMP-AWEZNQCLSA-N 1 0 319.449 2.148 10 0 DEAERO CCC[C@H](C(=O)N1CCO[C@H](c2cccc(OC)c2)C1)[NH+](C)C ZINC000158071800 520974245 /nfs/dbraw/zinc/97/42/45/520974245.db2.gz UPXIEPRTLRXMOS-SJORKVTESA-N 1 0 320.433 2.325 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OC)cc2O)[C@@H](C)C1 ZINC000247518616 521719012 /nfs/dbraw/zinc/71/90/12/521719012.db2.gz WGMGSDFVNYETTN-WFASDCNBSA-N 1 0 306.406 2.203 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000246269348 522049938 /nfs/dbraw/zinc/04/99/38/522049938.db2.gz LQZBCXCEQHXQPE-KCXAZCMYSA-N 1 0 315.417 2.105 10 0 DEAERO Cc1nc2c(c(NC[C@H](c3cnn(C)c3)[NH+](C)C)n1)CCCC2 ZINC000302072721 534624266 /nfs/dbraw/zinc/62/42/66/534624266.db2.gz ZKPPTBIUAWEVLL-MRXNPFEDSA-N 1 0 314.437 2.112 10 0 DEAERO COc1cc(OC)c(C[NH2+][C@H](C)CCn2cccn2)c(OC)c1 ZINC000157613427 522795733 /nfs/dbraw/zinc/79/57/33/522795733.db2.gz XBGZOMFGOLOXEJ-CYBMUJFWSA-N 1 0 319.405 2.477 10 0 DEAERO O=C(c1cc(=O)[nH]c2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195094675 534669454 /nfs/dbraw/zinc/66/94/54/534669454.db2.gz ZFEFXLYSDOQIKH-CYBMUJFWSA-N 1 0 311.385 2.251 10 0 DEAERO O=C(C[C@@H]1CCCCNC1=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000329238952 534686733 /nfs/dbraw/zinc/68/67/33/534686733.db2.gz LOLWDHBVQORJAZ-GJZGRUSLSA-N 1 0 307.438 2.220 10 0 DEAERO CCc1ccc(C(=O)CCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000248666362 523878450 /nfs/dbraw/zinc/87/84/50/523878450.db2.gz WQGOYCQEQZPKRT-YESZJQIVSA-N 1 0 314.429 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c1cc(-c2ccc(C[NH+]3CCC(Cn4cncn4)CC3)o2)n[nH]1 ZINC000366027278 526411604 /nfs/dbraw/zinc/41/16/04/526411604.db2.gz QTGIZYXBOCUPKJ-UHFFFAOYSA-N 1 0 312.377 2.173 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)CC1 ZINC000179134386 536439467 /nfs/dbraw/zinc/43/94/67/536439467.db2.gz BEPYHJDQDDNIFT-KRWDZBQOSA-N 1 0 318.417 2.068 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC000164258329 536475185 /nfs/dbraw/zinc/47/51/85/536475185.db2.gz MFUVEMVKJADMNE-MCIONIFRSA-N 1 0 319.405 2.082 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000299378124 527157234 /nfs/dbraw/zinc/15/72/34/527157234.db2.gz SKSSJMTXRJXFNH-ABAIWWIYSA-N 1 0 319.449 2.431 10 0 DEAERO CC(C)C(=O)N1CCC(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000195527022 527464896 /nfs/dbraw/zinc/46/48/96/527464896.db2.gz RXWXCNNJTIAULX-KKUMJFAQSA-N 1 0 323.481 2.011 10 0 DEAERO C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000294700690 527535821 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CCCCOC[C@@H](O)C[N@H+](CC)C[C@@H]1COc2ccccc2O1 ZINC000195095086 528615922 /nfs/dbraw/zinc/61/59/22/528615922.db2.gz AIENHRJEQPEMLI-JKSUJKDBSA-N 1 0 323.433 2.326 10 0 DEAERO CC(C)[N@H+](C)Cc1cccc(CNC(=O)CCCCC(N)=O)c1 ZINC000188859902 528834083 /nfs/dbraw/zinc/83/40/83/528834083.db2.gz KLNJFIMDJFESAV-UHFFFAOYSA-N 1 0 319.449 2.189 10 0 DEAERO CC(C)NC(=O)CC[N@@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000448552292 529120071 /nfs/dbraw/zinc/12/00/71/529120071.db2.gz SKDFYOCBTDJURA-QGZVFWFLSA-N 1 0 317.477 2.355 10 0 DEAERO CC(C)Oc1ccc([C@@H](C)NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000262328565 535017373 /nfs/dbraw/zinc/01/73/73/535017373.db2.gz SAKDKUJODMNXIA-CYBMUJFWSA-N 1 0 306.406 2.159 10 0 DEAERO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1cccc2ccccc21 ZINC000261600509 535042740 /nfs/dbraw/zinc/04/27/40/535042740.db2.gz XZGXQYOHMZFUAX-OAHLLOKOSA-N 1 0 306.431 2.492 10 0 DEAERO CCC([NH3+])(CC)CNS(=O)(=O)c1c(C)cc(F)cc1C ZINC000229383606 535193770 /nfs/dbraw/zinc/19/37/70/535193770.db2.gz SCJADMQLJNHUPA-UHFFFAOYSA-N 1 0 302.415 2.238 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)N(C)[C@H]2CC[NH2+]C2)cc1 ZINC000262575399 535254790 /nfs/dbraw/zinc/25/47/90/535254790.db2.gz IOYLDPITNDPZEI-HNNXBMFYSA-N 1 0 318.417 2.259 10 0 DEAERO CCC1(C[NH2+]Cc2cccc(N3CCOCC3)n2)CCOCC1 ZINC000359112097 535295017 /nfs/dbraw/zinc/29/50/17/535295017.db2.gz YWURJDLQVUQUDM-UHFFFAOYSA-N 1 0 319.449 2.215 10 0 DEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000261626168 535297012 /nfs/dbraw/zinc/29/70/12/535297012.db2.gz COXLXOORYUGLIG-CQSZACIVSA-N 1 0 317.368 2.123 10 0 DEAERO CCCc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261809405 535422046 /nfs/dbraw/zinc/42/20/46/535422046.db2.gz ZPTRKUZNALYWOM-HNNXBMFYSA-N 1 0 310.463 2.387 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)CN1CCCCCC1=O ZINC000262481311 535482838 /nfs/dbraw/zinc/48/28/38/535482838.db2.gz UMYMSZBFBKIIRT-UHFFFAOYSA-N 1 0 303.406 2.137 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]CCc2c(C)noc2C)C12CCOCC2 ZINC000186329087 535500611 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/nfs/dbraw/zinc/49/65/41/563496541.db2.gz FNAOGCHUOUCNIP-ZBEGNZNMSA-N 1 0 306.410 2.076 10 0 DEAERO Cc1nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000183362989 625302565 /nfs/dbraw/zinc/30/25/65/625302565.db2.gz COCAHTXVJRTEAO-KGLIPLIRSA-N 1 0 307.398 2.004 10 0 DEAERO CCN1CCCC[C@@H]1C(=O)O[C@H]1CCN(CC(F)(F)F)C1 ZINC000185131790 625359885 /nfs/dbraw/zinc/35/98/85/625359885.db2.gz AYBMXHFEWLMGEB-NWDGAFQWSA-N 1 0 308.344 2.041 10 0 DEAERO NC(=O)C1([NH2+]Cc2csc(Br)c2)CCCC1 ZINC000309568429 625492575 /nfs/dbraw/zinc/49/25/75/625492575.db2.gz LVGLELFYWJXIHV-UHFFFAOYSA-N 1 0 303.225 2.398 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000191170898 625506149 /nfs/dbraw/zinc/50/61/49/625506149.db2.gz RQMOOHSHUJXVOJ-MGPQQGTHSA-N 1 0 312.454 2.477 10 0 DEAERO O=C(NC1CCCCC1)N1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000192630717 625581211 /nfs/dbraw/zinc/58/12/11/625581211.db2.gz LEMHHDJDVSBXAS-UHFFFAOYSA-N 1 0 323.481 2.342 10 0 DEAERO C[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000049646022 622717954 /nfs/dbraw/zinc/71/79/54/622717954.db2.gz ZLRVVIATQASODG-MNOVXSKESA-N 1 0 302.827 2.072 10 0 DEAERO CN(C[C@@H]1CCC[N@@H+]1C)c1nncc(-c2ccccc2F)n1 ZINC000014962842 622767269 /nfs/dbraw/zinc/76/72/69/622767269.db2.gz JLMSMZGNDSKHRH-LBPRGKRZSA-N 1 0 301.369 2.208 10 0 DEAERO CCC[C@@H](C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2)[NH+](C)C ZINC000162666401 625601550 /nfs/dbraw/zinc/60/15/50/625601550.db2.gz DPIDHMHXLREZIR-DOMZBBRYSA-N 1 0 320.433 2.365 10 0 DEAERO COc1ccccc1C/C(C)=C\C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000255194243 623783040 /nfs/dbraw/zinc/78/30/40/623783040.db2.gz RGDBRLYYPBPFIH-HECSCLNYSA-N 1 0 302.418 2.394 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@H]2CC2(Cl)Cl)C1 ZINC000255199903 623843994 /nfs/dbraw/zinc/84/39/94/623843994.db2.gz SLFWSMLBNSNXRX-WDEREUQCSA-N 1 0 310.221 2.080 10 0 DEAERO Brc1c[nH]c(C[NH2+]C[C@@H]2CSCCS2)n1 ZINC000309124285 624907797 /nfs/dbraw/zinc/90/77/97/624907797.db2.gz 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Fc1ccc(/C=C\C[NH2+][C@H]2COC[C@H]2Oc2cn[nH]c2)c(F)c1 ZINC000888105427 635666812 /nfs/dbraw/zinc/66/68/12/635666812.db2.gz HVMFZRUFOUFGGD-XOMPPTQVSA-N 1 0 321.327 2.137 10 0 DEAERO CN(C1CC[NH2+]CC1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000036300178 636039532 /nfs/dbraw/zinc/03/95/32/636039532.db2.gz XYRZXWOGHPQAOZ-DHZHZOJOSA-N 1 0 314.838 2.324 10 0 DEAERO COc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H](C)CN2CCOCC2)c1 ZINC000248465107 636203404 /nfs/dbraw/zinc/20/34/04/636203404.db2.gz YZVFLWLQKOXRFS-RRQGHBQHSA-N 1 0 319.401 2.063 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)c1cc(OC)c(OC)c(OC)c1 ZINC000237038374 636297204 /nfs/dbraw/zinc/29/72/04/636297204.db2.gz LQGMRVUCOCVGMT-IINYFYTJSA-N 1 0 310.394 2.049 10 0 DEAERO Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000222546276 636359913 /nfs/dbraw/zinc/35/99/13/636359913.db2.gz VTBLIBHOJAYWRA-WMLDXEAASA-N 1 0 302.418 2.281 10 0 DEAERO CC(C)[C@H]1CCCC[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000215105485 636662526 /nfs/dbraw/zinc/66/25/26/636662526.db2.gz RSLVNBSQGXCNTH-HUUCEWRRSA-N 1 0 302.484 2.120 10 0 DEAERO CC[C@@H]1C[N@H+](Cn2cnc3c2ncnc3NC(C)C)CCS1 ZINC000173506952 636762235 /nfs/dbraw/zinc/76/22/35/636762235.db2.gz YOCJRWIBJUOCSB-GFCCVEGCSA-N 1 0 320.466 2.432 10 0 DEAERO C[C@H](CNCc1nc(Br)c[nH]1)[NH+]1CCCCC1 ZINC000310418735 637346062 /nfs/dbraw/zinc/34/60/62/637346062.db2.gz KLJWUSWOBBTIEW-SNVBAGLBSA-N 1 0 301.232 2.136 10 0 DEAERO C[C@](O)(C[NH2+]Cc1ccc(-n2cncn2)cc1)c1cccs1 ZINC000740014008 637772276 /nfs/dbraw/zinc/77/22/76/637772276.db2.gz AUDJFVBOUWFYBP-INIZCTEOSA-N 1 0 314.414 2.326 10 0 DEAERO CCC1(O)CC[NH+](Cn2ncc3cc(C(=O)OC)ccc32)CC1 ZINC000742171160 638040547 /nfs/dbraw/zinc/04/05/47/638040547.db2.gz FKVXMEXWEDGOLM-UHFFFAOYSA-N 1 0 317.389 2.017 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=S)N[C@H]2CCc3ccccc3C2)C1 ZINC000742988349 638107883 /nfs/dbraw/zinc/10/78/83/638107883.db2.gz TTZRMYQHBRYLRH-PBHICJAKSA-N 1 0 317.502 2.350 10 0 DEAERO C[C@@H](O)C1CC[NH+](CC2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000895816268 638213346 /nfs/dbraw/zinc/21/33/46/638213346.db2.gz XEKIFHXMZKBAEA-DNOWBOINSA-N 1 0 312.454 2.383 10 0 DEAERO Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C2)no1 ZINC000896156907 638383759 /nfs/dbraw/zinc/38/37/59/638383759.db2.gz VIUYJZDRGNRYIP-KBPBESRZSA-N 1 0 320.437 2.032 10 0 DEAERO O=C1[C@H]([NH2+]C[C@@H]2CCc3ccccc32)CCN1C1CCOCC1 ZINC000747816028 638479158 /nfs/dbraw/zinc/47/91/58/638479158.db2.gz QHRRNXPKDHZKRQ-MAUKXSAKSA-N 1 0 314.429 2.086 10 0 DEAERO O=C1[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)CCN1C1CCOCC1 ZINC000747816030 638480668 /nfs/dbraw/zinc/48/06/68/638480668.db2.gz QHRRNXPKDHZKRQ-YJBOKZPZSA-N 1 0 314.429 2.086 10 0 DEAERO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCO[C@H](C(F)F)C1 ZINC000801007396 645328868 /nfs/dbraw/zinc/32/88/68/645328868.db2.gz UTERKNDWAKAHGF-HNNXBMFYSA-N 1 0 324.371 2.389 10 0 DEAERO C[Si](C)(C)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000801953421 645469519 /nfs/dbraw/zinc/46/95/19/645469519.db2.gz PESAUKRFPCEHFB-ZBFHGGJFSA-N 1 0 318.493 2.162 10 0 DEAERO CON(C)C(=O)CC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000806625664 645854937 /nfs/dbraw/zinc/85/49/37/645854937.db2.gz JIADNDRYCJFHAZ-JTQLQIEISA-N 1 0 302.321 2.349 10 0 DEAERO COc1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cc1OC ZINC000757185687 645937733 /nfs/dbraw/zinc/93/77/33/645937733.db2.gz ZCAKQEMIBJDLFC-OLZOCXBDSA-N 1 0 307.390 2.349 10 0 DEAERO C[N@H+](CCCOC(=O)C[C@H]1COC(=O)C1)Cc1ccccc1 ZINC000156757953 646457031 /nfs/dbraw/zinc/45/70/31/646457031.db2.gz LLCIMXFEKFZLJE-OAHLLOKOSA-N 1 0 305.374 2.005 10 0 DEAERO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1COc2ccccc21 ZINC000060587471 646625020 /nfs/dbraw/zinc/62/50/20/646625020.db2.gz ZEONFPKQASLLIR-HNNXBMFYSA-N 1 0 305.422 2.349 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccnc(Br)c1 ZINC000229614281 646695266 /nfs/dbraw/zinc/69/52/66/646695266.db2.gz JTOSUOYRWWNKTM-NSHDSACASA-N 1 0 312.211 2.010 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2csc(-c3ccccn3)n2)CC1 ZINC000061621060 646701008 /nfs/dbraw/zinc/70/10/08/646701008.db2.gz RZNMWAYKCXHJFG-UHFFFAOYSA-N 1 0 316.430 2.371 10 0 DEAERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1CC(O)C1 ZINC000230946669 646752712 /nfs/dbraw/zinc/75/27/12/646752712.db2.gz FXWUDPGHCZGSHR-MOKVOYLWSA-N 1 0 300.443 2.144 10 0 DEAERO Cc1ccoc1C[N@@H+]1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818187842 647429497 /nfs/dbraw/zinc/42/94/97/647429497.db2.gz KSBMFLSRMBOCCA-QGZVFWFLSA-N 1 0 317.389 2.418 10 0 DEAERO CC[N@@H+]1CC[C@@H](CNC(=O)CCc2ccc(N(C)C)cc2)C1 ZINC000730935280 647434658 /nfs/dbraw/zinc/43/46/58/647434658.db2.gz BBFIMJHWKHSARZ-INIZCTEOSA-N 1 0 303.450 2.143 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733154760 647892802 /nfs/dbraw/zinc/89/28/02/647892802.db2.gz IHHNAHUFCBBIBI-ZDUSSCGKSA-N 1 0 324.856 2.405 10 0 DEAERO COc1c(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c(C)nn1C ZINC000181099529 648551315 /nfs/dbraw/zinc/55/13/15/648551315.db2.gz VKQYKDVUEUULSF-CQSZACIVSA-N 1 0 323.437 2.293 10 0 DEAERO CC(C)Nc1ncnc2c1ncn2C[N@@H+]1CCS[C@H](C)C1 ZINC000170903122 648671225 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CN1CCC[C@H]([NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000382504419 685404200 /nfs/dbraw/zinc/40/42/00/685404200.db2.gz MDSVVQPDVBPZSH-ILXRZTDVSA-N 1 0 311.470 2.364 10 0 DEAERO Brc1c[nH]c(CNCC[NH+]2CCCCCC2)n1 ZINC000383268017 685407397 /nfs/dbraw/zinc/40/73/97/685407397.db2.gz IYGPWJRDKOAXSU-UHFFFAOYSA-N 1 0 301.232 2.138 10 0 DEAERO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389971815 685436981 /nfs/dbraw/zinc/43/69/81/685436981.db2.gz VRIIAVIPWPGFIR-GDBMZVCRSA-N 1 0 312.417 2.078 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000392779052 685450749 /nfs/dbraw/zinc/45/07/49/685450749.db2.gz CWBGXFHTYIQKLZ-ZDUSSCGKSA-N 1 0 307.394 2.276 10 0 DEAERO C[C@@H]1[C@H]([NH2+]C[C@@H]2CCCN2C)CCCN1C(=O)OC(C)(C)C ZINC000396711197 685462969 /nfs/dbraw/zinc/46/29/69/685462969.db2.gz ZXYSIUGYTANTDY-QLFBSQMISA-N 1 0 311.470 2.458 10 0 DEAERO CCCc1ccc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000040225562 683888825 /nfs/dbraw/zinc/88/88/25/683888825.db2.gz SFYUHKNHFROVHS-CYBMUJFWSA-N 1 0 310.463 2.306 10 0 DEAERO O=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000044492928 683904561 /nfs/dbraw/zinc/90/45/61/683904561.db2.gz LFWWSXDFMWDQKB-PLWJUESGSA-N 1 0 314.838 2.372 10 0 DEAERO O=C(OCc1ccccc1)c1cccc(CNC2=[NH+]CCCN2)c1 ZINC000076105900 683940191 /nfs/dbraw/zinc/94/01/91/683940191.db2.gz ONDJVZGUOLMHER-UHFFFAOYSA-N 1 0 323.396 2.483 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H]2CC2(Cl)Cl)C1 ZINC000096995697 684054880 /nfs/dbraw/zinc/05/48/80/684054880.db2.gz SLFWSMLBNSNXRX-QWRGUYRKSA-N 1 0 310.221 2.080 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2c(Cl)n(C)nc2C(C)C)C1 ZINC000119164698 684078127 /nfs/dbraw/zinc/07/81/27/684078127.db2.gz UECUNJTXXOPQTC-LLVKDONJSA-N 1 0 312.845 2.411 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000122035893 684111962 /nfs/dbraw/zinc/11/19/62/684111962.db2.gz RPZNKNKABKEZHW-SUMWQHHRSA-N 1 0 320.481 2.427 10 0 DEAERO COc1ccc([C@@H]([NH2+]C[C@H]2CCCS2(=O)=O)C2CC2)cc1 ZINC000126845046 684157902 /nfs/dbraw/zinc/15/79/02/684157902.db2.gz JOCDWQPGYIVUEW-CVEARBPZSA-N 1 0 309.431 2.313 10 0 DEAERO COC(=O)CC[N@H+](CCSC(F)(F)F)C[C@@H]1CCCO1 ZINC000128040642 684168061 /nfs/dbraw/zinc/16/80/61/684168061.db2.gz BMGODTGHGWMYCJ-JTQLQIEISA-N 1 0 315.357 2.284 10 0 DEAERO c1ccc(C[C@@H](CN2CCOCC2)[NH2+][C@H]2CCCSC2)cc1 ZINC000131460534 684199463 /nfs/dbraw/zinc/19/94/63/684199463.db2.gz FFSQCQGJNVAYTM-ROUUACIJSA-N 1 0 320.502 2.415 10 0 DEAERO O[C@H]1C[NH2+][C@@H](c2nc(Cc3c(Cl)cccc3Cl)no2)C1 ZINC000131735329 684201618 /nfs/dbraw/zinc/20/16/18/684201618.db2.gz NCZIZIYLGCBHKE-RDDDGLTNSA-N 1 0 314.172 2.363 10 0 DEAERO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000133345114 684218727 /nfs/dbraw/zinc/21/87/27/684218727.db2.gz WDYABHRSRQLREN-SJORKVTESA-N 1 0 308.466 2.023 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)Nn2cnc3ccccc32)CC1 ZINC000137403406 684243626 /nfs/dbraw/zinc/24/36/26/684243626.db2.gz SGKCPMBDRIGZAY-UHFFFAOYSA-N 1 0 315.421 2.410 10 0 DEAERO CCC[C@@H](C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C)[NH+](C)C ZINC000188800547 684364532 /nfs/dbraw/zinc/36/45/32/684364532.db2.gz FMLZCWRRYQJAEN-STQMWFEESA-N 1 0 307.442 2.035 10 0 DEAERO CCC(=O)CC[N@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000190252806 684399731 /nfs/dbraw/zinc/39/97/31/684399731.db2.gz FZZNOWBREXXINS-LBPRGKRZSA-N 1 0 322.371 2.478 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC1CCC2(CC1)OCCO2 ZINC000191295122 684425160 /nfs/dbraw/zinc/42/51/60/684425160.db2.gz AIWWZQYIDPFVGM-INIZCTEOSA-N 1 0 324.465 2.253 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000246700782 685134368 /nfs/dbraw/zinc/13/43/68/685134368.db2.gz WGPLMKNQTWPXON-ARFHVFGLSA-N 1 0 308.397 2.273 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000248925082 685171607 /nfs/dbraw/zinc/17/16/07/685171607.db2.gz LMCFDTAHHDQKEX-QLFBSQMISA-N 1 0 309.454 2.369 10 0 DEAERO CCc1noc(C)c1C[N@@H+]1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000931121692 694321584 /nfs/dbraw/zinc/32/15/84/694321584.db2.gz VOGITGDWLNTATH-CYBMUJFWSA-N 1 0 301.394 2.461 10 0 DEAERO O[C@H](C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)c1cccnc1 ZINC000878173176 690335229 /nfs/dbraw/zinc/33/52/29/690335229.db2.gz PUHFKSNOFDLRFT-ZWKOTPCHSA-N 1 0 320.433 2.165 10 0 DEAERO CN1C(=O)C[C@@H](C[NH2+]C2CCSCC2)[C@@H]1c1ccncc1 ZINC000886056842 691994709 /nfs/dbraw/zinc/99/47/09/691994709.db2.gz PRQLFVLYAZELTN-BBRMVZONSA-N 1 0 305.447 2.086 10 0 DEAERO O=C(Cc1c(F)cccc1F)Nc1ccc([C@H]2CCC[NH2+]2)nn1 ZINC000886085618 692000750 /nfs/dbraw/zinc/00/07/50/692000750.db2.gz XHKJWMMYTXMSQG-CYBMUJFWSA-N 1 0 318.327 2.361 10 0 DEAERO CCC[C@@H](CCO)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724048605 777230713 /nfs/dbraw/zinc/23/07/13/777230713.db2.gz NVKGTPOWWKGTQD-UWVGGRQHSA-N 1 0 307.303 2.323 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c1C ZINC000722596874 776543622 /nfs/dbraw/zinc/54/36/22/776543622.db2.gz CPDYUGYVESINRT-CQSZACIVSA-N 1 0 316.492 2.341 10 0 DEAERO CN1C[C@@H](CC[NH2+]Cc2sccc2Br)CC1=O ZINC000723553272 777121427 /nfs/dbraw/zinc/12/14/27/777121427.db2.gz RQKBYGZBFOUGMZ-VIFPVBQESA-N 1 0 317.252 2.469 10 0 DEAERO FCCC[NH+]1CCN(Cc2ncccc2Br)CC1 ZINC000402720160 777099760 /nfs/dbraw/zinc/09/97/60/777099760.db2.gz MTNLHJNOXSTQIZ-UHFFFAOYSA-N 1 0 316.218 2.321 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000723703788 777165334 /nfs/dbraw/zinc/16/53/34/777165334.db2.gz WUPLNLGQJBXDLK-LLVKDONJSA-N 1 0 302.827 2.008 10 0 DEAERO CC(=O)[C@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724107465 777242196 /nfs/dbraw/zinc/24/21/96/777242196.db2.gz CKTIVTQJCTYQBH-VHSXEESVSA-N 1 0 303.271 2.236 10 0 DEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2nc(Br)c[nH]2)C[C@H](C)O1 ZINC000724286388 777271959 /nfs/dbraw/zinc/27/19/59/777271959.db2.gz DPYLHVRHDONAFA-ILWJIGKKSA-N 1 0 302.216 2.465 10 0 DEAERO Cn1nc(Br)cc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722321073 778616131 /nfs/dbraw/zinc/61/61/31/778616131.db2.gz PESMIMMTPMSNFH-VXGBXAGGSA-N 1 0 314.227 2.230 10 0 DEAERO FC(F)(F)[C@H]1CC[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)O1 ZINC000722380098 778679355 /nfs/dbraw/zinc/67/93/55/778679355.db2.gz OMKPJNPCFGFWTM-NWDGAFQWSA-N 1 0 309.328 2.372 10 0 DEAERO CCO[C@@H]1CCC[C@@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722500553 778742594 /nfs/dbraw/zinc/74/25/94/778742594.db2.gz DDNAHVOHFVLJFS-MGPQQGTHSA-N 1 0 314.426 2.475 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)c1C ZINC000722571462 778791361 /nfs/dbraw/zinc/79/13/61/778791361.db2.gz UGEVLMSUIOGPIA-LLVKDONJSA-N 1 0 304.481 2.325 10 0 DEAERO CO[C@]1(C[NH2+][C@@H](C)c2ccccc2Cl)CCS(=O)(=O)C1 ZINC000721258963 781018341 /nfs/dbraw/zinc/01/83/41/781018341.db2.gz IXWXVUVCXCVMII-FZMZJTMJSA-N 1 0 317.838 2.194 10 0 DEAERO COC[C@H](C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)C(C)C ZINC000721729148 781856847 /nfs/dbraw/zinc/85/68/47/781856847.db2.gz VOGNPQZIUFOTCD-OALUTQOASA-N 1 0 320.477 2.132 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1C ZINC000722568882 787334117 /nfs/dbraw/zinc/33/41/17/787334117.db2.gz AWQZKBQNUMGBBF-JOYOIKCWSA-N 1 0 302.465 2.092 10 0 DEAERO c1ccc(CN2CCC[C@@H]([NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)cc1 ZINC000724628394 787352182 /nfs/dbraw/zinc/35/21/82/787352182.db2.gz OFPYZWRLGLRXFD-YRXWBPOGSA-N 1 0 316.445 2.045 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000397893168 790229996 /nfs/dbraw/zinc/22/99/96/790229996.db2.gz TZKLRIRMPISKLX-HNNXBMFYSA-N 1 0 318.417 2.447 10 0 DEAERO C[C@H](CC[NH2+]Cc1cnn(C)c1Cl)NC(=O)OC(C)(C)C ZINC000712414677 792186767 /nfs/dbraw/zinc/18/67/67/792186767.db2.gz KZRYTTYUUPZREN-SNVBAGLBSA-N 1 0 316.833 2.466 10 0 DEAERO O=C1C[C@H]([NH2+]CCc2sccc2Br)CCCN1 ZINC000713052737 792212675 /nfs/dbraw/zinc/21/26/75/792212675.db2.gz KFRHGLNNJBMKEF-SECBINFHSA-N 1 0 317.252 2.311 10 0 DEAERO CC[N@@H+]1CCCN(Cc2cn(C)nc2Br)[C@@H](C)C1 ZINC000713828050 792260479 /nfs/dbraw/zinc/26/04/79/792260479.db2.gz WOHXTDLXNXJPLM-NSHDSACASA-N 1 0 315.259 2.099 10 0 DEAERO [NH3+]C[C@@H]1C[C@@H](c2nc(-c3cccc(Br)c3)no2)CO1 ZINC000714085324 792284516 /nfs/dbraw/zinc/28/45/16/792284516.db2.gz KDNXLRGQKTZLMQ-KOLCDFICSA-N 1 0 324.178 2.330 10 0 DEAERO Cc1ccc(O)c(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)n1 ZINC000715080651 792382033 /nfs/dbraw/zinc/38/20/33/792382033.db2.gz LQJQBNLJXLIIIM-UHFFFAOYSA-N 1 0 321.421 2.489 10 0 DEAERO [NH3+]C1CC(CNC(=O)c2ccc(Br)c(F)c2)C1 ZINC000715107286 792383081 /nfs/dbraw/zinc/38/30/81/792383081.db2.gz JGUXZLCWUZFRLZ-UHFFFAOYSA-N 1 0 301.159 2.055 10 0 DEAERO [NH3+]C1CC(CNC(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000715126299 792384561 /nfs/dbraw/zinc/38/45/61/792384561.db2.gz XUZCPXADZZYZMH-UHFFFAOYSA-N 1 0 323.234 2.334 10 0 DEAERO Cc1n[nH]c(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1C ZINC000716476835 792975432 /nfs/dbraw/zinc/97/54/32/792975432.db2.gz LKMPPSPJEDOYEV-LBPRGKRZSA-N 1 0 308.426 2.372 10 0 DEAERO CCNC(=O)[C@H](C)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716729468 793002550 /nfs/dbraw/zinc/00/25/50/793002550.db2.gz CIAYLWNORGRUIJ-DKIMLUQUSA-N 1 0 315.461 2.154 10 0 DEAERO FC(F)(F)c1nnc(NC[C@H]2C[NH2+]CCC2(F)F)s1 ZINC000717131816 799224349 /nfs/dbraw/zinc/22/43/49/799224349.db2.gz MNLFMXMAPBBKKS-RXMQYKEDSA-N 1 0 302.272 2.214 10 0 DEAERO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000717365727 799392170 /nfs/dbraw/zinc/39/21/70/799392170.db2.gz KVQNUSFUBOFENA-KSSFIOAISA-N 1 0 301.386 2.097 10 0 DEAERO C[C@@]1(C(F)(F)F)CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000717398311 799395705 /nfs/dbraw/zinc/39/57/05/799395705.db2.gz UJLMRQBUCFTPPQ-PSASIEDQSA-N 1 0 300.271 2.032 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000717595572 799424725 /nfs/dbraw/zinc/42/47/25/799424725.db2.gz SBWZKLRFXVWTHN-YUELXQCFSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@@H]1C[C@H]([NH2+][C@H](CO)CC(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000717725335 799429142 /nfs/dbraw/zinc/42/91/42/799429142.db2.gz XVDHASRVPFJNHO-WOPDTQHZSA-N 1 0 322.396 2.238 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CC2(N(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401658375 801836788 /nfs/dbraw/zinc/83/67/88/801836788.db2.gz WBBYOCMSGKCDTG-KBPBESRZSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCc2ccnn2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401676301 801839277 /nfs/dbraw/zinc/83/92/77/801839277.db2.gz DMTNBAAUPHLTGY-KGLIPLIRSA-N 1 0 322.453 2.198 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCc2ccn(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC000401694956 801842480 /nfs/dbraw/zinc/84/24/80/801842480.db2.gz JPHMZRIICFNHPB-UKRRQHHQSA-N 1 0 322.453 2.198 10 0 DEAERO CC[C@H](O)CC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401723887 801845759 /nfs/dbraw/zinc/84/57/59/801845759.db2.gz BXQBETFEIDORHT-IHRRRGAJSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CCCCCO)CN(C(=O)OC(C)(C)C)C1 ZINC000401738618 801846797 /nfs/dbraw/zinc/84/67/97/801846797.db2.gz QGRPTYYTMFETLN-KBPBESRZSA-N 1 0 300.443 2.384 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCC2(CO)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401804345 801852477 /nfs/dbraw/zinc/85/24/77/801852477.db2.gz PIHWKJAKLOVDCZ-UONOGXRCSA-N 1 0 312.454 2.384 10 0 DEAERO CC(C)[C@@H](CO)C[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401795203 801852809 /nfs/dbraw/zinc/85/28/09/801852809.db2.gz DZPRMBAIVHVLIW-RBSFLKMASA-N 1 0 314.470 2.486 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1)C(C)(C)O ZINC000401938078 801859403 /nfs/dbraw/zinc/85/94/03/801859403.db2.gz NLVMBOJRCWVKRZ-HIFRSBDPSA-N 1 0 306.406 2.147 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC2(O)CCC2)C12CCC2 ZINC000405209099 802044417 /nfs/dbraw/zinc/04/44/17/802044417.db2.gz BWQFROHYAUXUBN-QWHCGFSZSA-N 1 0 310.438 2.327 10 0 DEAERO C[C@H](C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2)N(C)C ZINC000405259810 802045736 /nfs/dbraw/zinc/04/57/36/802045736.db2.gz MOQRENLTRCPJEV-RDBSUJKOSA-N 1 0 311.470 2.362 10 0 DEAERO CCN1CC[NH+](CCCCCNC(=O)Cc2cccs2)CC1 ZINC000041528539 1078281577 /nfs/dbraw/zinc/28/15/77/1078281577.db2.gz YXTBXFIYCCCBDA-UHFFFAOYSA-N 1 0 323.506 2.215 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000725075193 1078800621 /nfs/dbraw/zinc/80/06/21/1078800621.db2.gz JTNTWCNPBNLCFC-STQMWFEESA-N 1 0 314.476 2.128 10 0 DEAERO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1cc(=O)n2nccc2[nH]1 ZINC000081598099 1081125713 /nfs/dbraw/zinc/12/57/13/1081125713.db2.gz BQEJIUJNOXBTCL-NSHDSACASA-N 1 0 302.403 2.147 10 0 DEAERO CCCN(CC[NH2+][C@@H]1CCC1(OC)OC)C(=O)OC(C)(C)C ZINC000710946357 1081177694 /nfs/dbraw/zinc/17/76/94/1081177694.db2.gz JGICLJAWSHSHPB-CYBMUJFWSA-N 1 0 316.442 2.375 10 0 DEAERO C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(C(F)(F)F)s1 ZINC000717923136 1081787731 /nfs/dbraw/zinc/78/77/31/1081787731.db2.gz PFQUDAPZDFOVFA-SSDOTTSWSA-N 1 0 301.355 2.462 10 0 DEAERO CC(C)(F)C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717944633 1081843825 /nfs/dbraw/zinc/84/38/25/1081843825.db2.gz LMAZPVCLUROPKW-UHFFFAOYSA-N 1 0 322.424 2.268 10 0 DEAERO C[C@H]1C[C@H]1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717947035 1081844985 /nfs/dbraw/zinc/84/49/85/1081844985.db2.gz UFYULQKZFGBEPE-DOTOQJQBSA-N 1 0 316.445 2.176 10 0 DEAERO CN(Cc1ccccc1Br)C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000720967235 1085191525 /nfs/dbraw/zinc/19/15/25/1085191525.db2.gz RBROWTQTJVKFAT-DYEKYZERSA-N 1 0 323.234 2.263 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1cnc[nH]1 ZINC000721031668 1085600012 /nfs/dbraw/zinc/60/00/12/1085600012.db2.gz NSNQIJFEKADNGJ-CHWSQXEVSA-N 1 0 308.426 2.392 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)sc1Cl ZINC000720824802 1086161270 /nfs/dbraw/zinc/16/12/70/1086161270.db2.gz ICYJCMITIZFCFD-MRVPVSSYSA-N 1 0 308.856 2.068 10 0 DEAERO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cccc(Cl)c1F ZINC000720833004 1086188420 /nfs/dbraw/zinc/18/84/20/1086188420.db2.gz BXSKCTNZOMLVCV-UHFFFAOYSA-N 1 0 308.806 2.098 10 0 DEAERO Cc1nnsc1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701920454 1086396811 /nfs/dbraw/zinc/39/68/11/1086396811.db2.gz QXZBJFRNPVBLND-UHFFFAOYSA-N 1 0 324.450 2.336 10 0 DEAERO C[NH+](C)C[C@H](N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000702415937 1086432191 /nfs/dbraw/zinc/43/21/91/1086432191.db2.gz DVACHMJTRGTCFK-JTQLQIEISA-N 1 0 309.719 2.186 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000703304809 1086494005 /nfs/dbraw/zinc/49/40/05/1086494005.db2.gz JMRTUHXZGXMEAK-YVECIDJPSA-N 1 0 300.399 2.083 10 0 DEAERO Cc1cc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1Br ZINC000703546716 1086515573 /nfs/dbraw/zinc/51/55/73/1086515573.db2.gz FYRNYGOZWHGCTK-SWLSCSKDSA-N 1 0 323.234 2.439 10 0 DEAERO CC1([NH3+])CCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000704559033 1086582835 /nfs/dbraw/zinc/58/28/35/1086582835.db2.gz XAZOMSWNHMXMEG-HYXAFXHYSA-N 1 0 313.195 2.395 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]CC[C@H]1CCSC1 ZINC000704844503 1086593327 /nfs/dbraw/zinc/59/33/27/1086593327.db2.gz JVWDWVGZEVQTTH-VIFPVBQESA-N 1 0 304.257 2.415 10 0 DEAERO O[C@@H](C[NH2+]CC[C@@H]1CCSC1)COCc1cccs1 ZINC000704923977 1086596304 /nfs/dbraw/zinc/59/63/04/1086596304.db2.gz QDNGFLXWPHQDMI-OLZOCXBDSA-N 1 0 301.477 2.358 10 0 DEAERO C[NH+](C)C[C@H](N)c1nc(-c2cc(Br)cs2)no1 ZINC000705237054 1086607280 /nfs/dbraw/zinc/60/72/80/1086607280.db2.gz CJZWCNWQRAYLTA-ZETCQYMHSA-N 1 0 317.212 2.122 10 0 DEAERO Cn1cccc1C[NH2+]C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000705621817 1086618981 /nfs/dbraw/zinc/61/89/81/1086618981.db2.gz AEHWKYLYRHNVJH-UHFFFAOYSA-N 1 0 323.437 2.189 10 0 DEAERO CC(C)(C)OC(=O)N1CCN(CC[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000706560413 1086641513 /nfs/dbraw/zinc/64/15/13/1086641513.db2.gz XHNVDHRJVHTWDT-OAHLLOKOSA-N 1 0 323.481 2.461 10 0 DEAERO COC(OC)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709631015 1086683780 /nfs/dbraw/zinc/68/37/80/1086683780.db2.gz AJXKVHRXBQJOGN-MRXNPFEDSA-N 1 0 320.433 2.166 10 0 DEAERO C[C@@H]1[C@H]([NH2+]CCCN2CCOC2=O)CCN1Cc1ccccc1 ZINC000709785483 1086684449 /nfs/dbraw/zinc/68/44/49/1086684449.db2.gz KNVZCPJQCJVPLW-NVXWUHKLSA-N 1 0 317.433 2.081 10 0 DEAERO O[C@H](C[NH2+]CCc1ccns1)COc1ccccc1Cl ZINC000709878783 1086685585 /nfs/dbraw/zinc/68/55/85/1086685585.db2.gz DADDBAWJCXLXIX-LLVKDONJSA-N 1 0 312.822 2.369 10 0 DEAERO CN(CCCCCC[NH3+])S(=O)(=O)c1ccc(F)cc1F ZINC000710692135 1086688325 /nfs/dbraw/zinc/68/83/25/1086688325.db2.gz BICYKDBQTSBTEO-UHFFFAOYSA-N 1 0 306.378 2.104 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000710968886 1086692702 /nfs/dbraw/zinc/69/27/02/1086692702.db2.gz VJZYOOFKUQMKLQ-IRXDYDNUSA-N 1 0 304.434 2.392 10 0 DEAERO CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)OC1 ZINC000711340445 1087068580 /nfs/dbraw/zinc/06/85/80/1087068580.db2.gz UIIFGPJEJURYPY-MGPQQGTHSA-N 1 0 303.468 2.137 10 0 DEAERO C[C@@H](CC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[S@](C)=O ZINC000711393351 1087082914 /nfs/dbraw/zinc/08/29/14/1087082914.db2.gz SGWWNVPIBUDMFO-AZZPWZESSA-N 1 0 318.483 2.036 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711408583 1087094062 /nfs/dbraw/zinc/09/40/62/1087094062.db2.gz WECLSQIWUHPTIL-XQQFMLRXSA-N 1 0 314.426 2.031 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cc[nH]n3)CCC[C@@H]12 ZINC000711627501 1087177611 /nfs/dbraw/zinc/17/76/11/1087177611.db2.gz VEJXMRORJVOARR-CJNGLKHVSA-N 1 0 306.410 2.431 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000711651112 1087186464 /nfs/dbraw/zinc/18/64/64/1087186464.db2.gz QXMANCLIWXHFRE-ZIAGYGMSSA-N 1 0 314.838 2.211 10 0 DEAERO COCC(C)(C)CC[NH2+]Cc1c(Br)cnn1C ZINC000718686907 1088623835 /nfs/dbraw/zinc/62/38/35/1088623835.db2.gz UKAIRIDBALIRNT-UHFFFAOYSA-N 1 0 304.232 2.335 10 0 DEAERO C[C@H]1[C@H]([NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CCN1C ZINC000719573786 1089308043 /nfs/dbraw/zinc/30/80/43/1089308043.db2.gz XNEFBUNOXNYLFB-CBBWQLFWSA-N 1 0 311.470 2.314 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000719572268 1089308564 /nfs/dbraw/zinc/30/85/64/1089308564.db2.gz UJRAAPJXEAYFQD-XQLPTFJDSA-N 1 0 311.470 2.457 10 0 DEAERO Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)c(C)c1Br ZINC000719582799 1089313421 /nfs/dbraw/zinc/31/34/21/1089313421.db2.gz LNJKRDANGMKWBC-CHWSQXEVSA-N 1 0 314.223 2.305 10 0 DEAERO FC1(F)CC[NH2+]C[C@H]1CNCc1nc2c(s1)CCCC2 ZINC000719622540 1089330698 /nfs/dbraw/zinc/33/06/98/1089330698.db2.gz GLDSMUJHAOTTOQ-JTQLQIEISA-N 1 0 301.406 2.356 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000278250029 214047585 /nfs/dbraw/zinc/04/75/85/214047585.db2.gz BWFBMGOPMYPALM-DYVFJYSZSA-N 1 0 317.433 2.082 10 0 DEAERO C[NH+]1CCN(CCN(Cc2ccccc2)C(=O)C(C)(C)C)CC1 ZINC000074597927 185001164 /nfs/dbraw/zinc/00/11/64/185001164.db2.gz TZQISVCEQWVGJN-UHFFFAOYSA-N 1 0 317.477 2.309 10 0 DEAERO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)C(=O)NCc1ccco1 ZINC000136107565 282083847 /nfs/dbraw/zinc/08/38/47/282083847.db2.gz ZSSWIQDTAYEVEF-CYBMUJFWSA-N 1 0 324.384 2.464 10 0 DEAERO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000136251337 282084859 /nfs/dbraw/zinc/08/48/59/282084859.db2.gz KJWUMCRXEAADOQ-UHFFFAOYSA-N 1 0 321.446 2.380 10 0 DEAERO O=C(CC[NH+]1CCCCC1)Nc1ccccc1N1CCOCC1 ZINC000074693845 185009924 /nfs/dbraw/zinc/00/99/24/185009924.db2.gz IJXFQQTYZAUQGE-UHFFFAOYSA-N 1 0 317.433 2.338 10 0 DEAERO Cc1cc(C)c([C@@H]([NH3+])CSCCS(C)(=O)=O)c(C)c1 ZINC000081768844 192322409 /nfs/dbraw/zinc/32/24/09/192322409.db2.gz QFVMDWHIHXTAGU-ZDUSSCGKSA-N 1 0 301.477 2.389 10 0 DEAERO C[NH2+][C@H](C)c1ccc(OC)c(CSCCS(C)(=O)=O)c1 ZINC000081769096 192323182 /nfs/dbraw/zinc/32/31/82/192323182.db2.gz MUXCLYKBFOFDOO-LLVKDONJSA-N 1 0 317.476 2.253 10 0 DEAERO C[NH2+][C@H](CSCCS(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000081769001 192323340 /nfs/dbraw/zinc/32/33/40/192323340.db2.gz BNYQDNUWXPXPPX-CQSZACIVSA-N 1 0 301.477 2.342 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1Sc1nccn1C)OCCO2 ZINC000081841483 192330727 /nfs/dbraw/zinc/33/07/27/192330727.db2.gz OBHVBFGPDCIZBX-STQMWFEESA-N 1 0 311.451 2.176 10 0 DEAERO Cn1ccnc1SC[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081840564 192331142 /nfs/dbraw/zinc/33/11/42/192331142.db2.gz YENPFNPZGQCNPQ-LBPRGKRZSA-N 1 0 305.403 2.374 10 0 DEAERO C[NH2+][C@H]1CCOC[C@@H]1Sc1ccc(Br)cn1 ZINC000081894866 192333765 /nfs/dbraw/zinc/33/37/65/192333765.db2.gz RGVGKMSPKWZNIN-UWVGGRQHSA-N 1 0 303.225 2.313 10 0 DEAERO CC[NH2+][C@H](c1ccccc1)[C@H](CC)Sc1n[nH]c(=O)n1C ZINC000081880390 192333899 /nfs/dbraw/zinc/33/38/99/192333899.db2.gz FCMCDJDONASMIS-QWHCGFSZSA-N 1 0 306.435 2.330 10 0 DEAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1Sc1n[nH]c(C)n1 ZINC000081890549 192333917 /nfs/dbraw/zinc/33/39/17/192333917.db2.gz XCVGNEDKEDYDIA-KBPBESRZSA-N 1 0 304.419 2.489 10 0 DEAERO CCc1ccc([C@@H](CSc2n[nH]c(=O)n2CC)[NH2+]C)cc1 ZINC000081882128 192333969 /nfs/dbraw/zinc/33/39/69/192333969.db2.gz MGCCENFGIHUDJN-CYBMUJFWSA-N 1 0 306.435 2.207 10 0 DEAERO CC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)Sc1n[nH]c(=O)n1C ZINC000081880478 192334097 /nfs/dbraw/zinc/33/40/97/192334097.db2.gz MZECDFNZHLATOA-DGCLKSJQSA-N 1 0 306.435 2.248 10 0 DEAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1Sc1n[nH]c(C)n1 ZINC000081890551 192334247 /nfs/dbraw/zinc/33/42/47/192334247.db2.gz XCVGNEDKEDYDIA-UONOGXRCSA-N 1 0 304.419 2.489 10 0 DEAERO O=c1[nH]ccc2c(Br)cn([C@@H]3CCCC[NH2+]C3)c21 ZINC000162635086 197581356 /nfs/dbraw/zinc/58/13/56/197581356.db2.gz OAZKNSBMUYUDGT-SECBINFHSA-N 1 0 310.195 2.407 10 0 DEAERO O=C(C[NH2+]CC1CC1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000162885342 197598319 /nfs/dbraw/zinc/59/83/19/197598319.db2.gz OAWQETOXLMWEFV-KBPBESRZSA-N 1 0 308.447 2.162 10 0 DEAERO COCCn1ncc(Br)c1CC[C@H]([NH3+])C(C)C ZINC000163076639 197610748 /nfs/dbraw/zinc/61/07/48/197610748.db2.gz YIQHIZPGGYLCMC-NSHDSACASA-N 1 0 304.232 2.208 10 0 DEAERO NC(=S)c1cc(F)cc(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000163101604 197611164 /nfs/dbraw/zinc/61/11/64/197611164.db2.gz NEHCMUVSGMSQCJ-HNNXBMFYSA-N 1 0 307.438 2.130 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2ccc3c(c2)COC(C)(C)O3)CCO1 ZINC000186248635 282127507 /nfs/dbraw/zinc/12/75/07/282127507.db2.gz PQCUOZMETGTDJQ-MRXNPFEDSA-N 1 0 320.433 2.094 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000151920437 282130342 /nfs/dbraw/zinc/13/03/42/282130342.db2.gz RCRSUQHQVQITCI-JTQLQIEISA-N 1 0 319.331 2.051 10 0 DEAERO CC[NH2+][C@H](C)CS(=O)(=O)c1ccccc1Br ZINC000081931843 192340655 /nfs/dbraw/zinc/34/06/55/192340655.db2.gz YAHGKPLDQJSXLR-SECBINFHSA-N 1 0 306.225 2.221 10 0 DEAERO CCC[C@@H]1CCN(S(=O)(=O)c2ccc(CC[NH2+]C)cc2)C1 ZINC000163642389 197642533 /nfs/dbraw/zinc/64/25/33/197642533.db2.gz XVNOIBPVNUORTN-OAHLLOKOSA-N 1 0 310.463 2.259 10 0 DEAERO CC[NH2+]CC[C@@H](C)c1c(Br)cnn1CCOC ZINC000163653738 197643512 /nfs/dbraw/zinc/64/35/12/197643512.db2.gz DAAACLQEDGYTSG-SNVBAGLBSA-N 1 0 304.232 2.395 10 0 DEAERO CCCn1ncc(Br)c1[C@@](C)(O)CC[NH2+]CC ZINC000163481813 197633470 /nfs/dbraw/zinc/63/34/70/197633470.db2.gz ABNDYDDXOQAFRO-LBPRGKRZSA-N 1 0 304.232 2.263 10 0 DEAERO C[C@@H]1CCN(C(=O)c2cccn2CC(F)(F)F)C[C@@H]1C[NH3+] ZINC000163516822 197636182 /nfs/dbraw/zinc/63/61/82/197636182.db2.gz KFRDQMCVFISKCS-MNOVXSKESA-N 1 0 303.328 2.107 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(C(=O)OC)c1 ZINC000078930381 185130417 /nfs/dbraw/zinc/13/04/17/185130417.db2.gz JLGOITKCJCDCFR-GFCCVEGCSA-N 1 0 307.394 2.325 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)CCOC)c1ccc2ccccc2c1 ZINC000081944892 192345006 /nfs/dbraw/zinc/34/50/06/192345006.db2.gz QELWGQWGSADCJU-MRXNPFEDSA-N 1 0 307.415 2.162 10 0 DEAERO CCC[NH2+][C@@](C)(CCSc1ncccc1Cl)C(N)=O ZINC000079448844 185172360 /nfs/dbraw/zinc/17/23/60/185172360.db2.gz SSMBJPPHOBTWIT-ZDUSSCGKSA-N 1 0 301.843 2.461 10 0 DEAERO CC(C)[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000079358342 185166816 /nfs/dbraw/zinc/16/68/16/185166816.db2.gz ZZNRFYRIMJMFFG-HUUCEWRRSA-N 1 0 302.484 2.074 10 0 DEAERO CCCc1ccc([C@H](CS(=O)(=O)CCOC)[NH2+]CC)cc1 ZINC000081944755 192345504 /nfs/dbraw/zinc/34/55/04/192345504.db2.gz ODJPUPCZHDFNMG-INIZCTEOSA-N 1 0 313.463 2.351 10 0 DEAERO CS(=O)(=O)CCSc1cc(Br)ccc1C[NH3+] ZINC000082619239 185191104 /nfs/dbraw/zinc/19/11/04/185191104.db2.gz FMFHKOCICNCXIQ-UHFFFAOYSA-N 1 0 324.265 2.045 10 0 DEAERO O[C@H](c1ccc(I)cc1)[C@H]1CCC[NH2+]1 ZINC000082954584 185209590 /nfs/dbraw/zinc/20/95/90/185209590.db2.gz UKXORRIGOGAIFN-GHMZBOCLSA-N 1 0 303.143 2.077 10 0 DEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ncc(Br)s1 ZINC000082920891 185209618 /nfs/dbraw/zinc/20/96/18/185209618.db2.gz WYQUQIYSROUQDL-RNFRBKRXSA-N 1 0 304.213 2.362 10 0 DEAERO C[C@@H]1CN(c2cccc(I)c2)[C@@H](C)C[NH2+]1 ZINC000083085498 185212761 /nfs/dbraw/zinc/21/27/61/185212761.db2.gz JZMOJEFRDKJMBQ-ZJUUUORDSA-N 1 0 316.186 2.478 10 0 DEAERO CC[C@@H]1C[NH2+]CCN1c1ccccc1I ZINC000083086711 185213146 /nfs/dbraw/zinc/21/31/46/185213146.db2.gz VBAGBOLHKSTBQQ-SNVBAGLBSA-N 1 0 316.186 2.479 10 0 DEAERO CC[C@@H]1CN(c2ccccc2I)CC[NH2+]1 ZINC000083061374 185212471 /nfs/dbraw/zinc/21/24/71/185212471.db2.gz OWJJCSJRRHYMAF-SNVBAGLBSA-N 1 0 316.186 2.479 10 0 DEAERO Cc1ccc(SCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170826699 282180609 /nfs/dbraw/zinc/18/06/09/282180609.db2.gz MVHSMTCQAYUHBT-CQSZACIVSA-N 1 0 307.463 2.433 10 0 DEAERO C[C@H]1CN(c2ccnc3cc(F)cnc32)CC[N@@H+]1CC(C)(C)O ZINC000286575540 219063131 /nfs/dbraw/zinc/06/31/31/219063131.db2.gz GMMIOFQFPGBQGY-LBPRGKRZSA-N 1 0 318.396 2.050 10 0 DEAERO CCC[C@@H](C[NH3+])NC(=O)c1cc(Br)cn1CC ZINC000087387253 185223383 /nfs/dbraw/zinc/22/33/83/185223383.db2.gz GMISSGFCGVAKAP-JTQLQIEISA-N 1 0 302.216 2.128 10 0 DEAERO COc1ccc(Br)cc1C[C@H]([NH3+])c1ccn(C)n1 ZINC000087424103 185224427 /nfs/dbraw/zinc/22/44/27/185224427.db2.gz FEJXIMWWEAJEBQ-NSHDSACASA-N 1 0 310.195 2.434 10 0 DEAERO CCCN(C(=O)c1snnc1C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000087455861 185225717 /nfs/dbraw/zinc/22/57/17/185225717.db2.gz CMICMNUULHMYII-LLVKDONJSA-N 1 0 310.467 2.440 10 0 DEAERO Cc1nccc(N2CCN(C[C@H]3CCCC[N@H+]3C(C)C)CC2)n1 ZINC000450747788 282186964 /nfs/dbraw/zinc/18/69/64/282186964.db2.gz UVYFSQXRBNUSPH-QGZVFWFLSA-N 1 0 317.481 2.170 10 0 DEAERO CC(C)[C@@H]([NH3+])CS(=O)(=O)c1ccc(Br)cc1 ZINC000087539926 185227874 /nfs/dbraw/zinc/22/78/74/185227874.db2.gz UGVBRVXFKGVGEE-NSHDSACASA-N 1 0 306.225 2.206 10 0 DEAERO COC(=O)C[C@H](NC(=O)C(C)(C)C(C)(C)[NH3+])c1cccs1 ZINC000087627651 185229596 /nfs/dbraw/zinc/22/95/96/185229596.db2.gz GIOQSOPJZYMJQX-JTQLQIEISA-N 1 0 312.435 2.232 10 0 DEAERO COc1ccc(Br)c(C[C@@]2(C[NH3+])CCOC2)c1 ZINC000087797212 185232226 /nfs/dbraw/zinc/23/22/26/185232226.db2.gz CTNNFPAXGHMECT-CYBMUJFWSA-N 1 0 300.196 2.366 10 0 DEAERO COc1cc(Cl)c([C@@H]([NH3+])CC(C)(C)C(N)=O)cc1OC ZINC000087722289 185231011 /nfs/dbraw/zinc/23/10/11/185231011.db2.gz IFLCUCHNIDNWGF-JTQLQIEISA-N 1 0 300.786 2.259 10 0 DEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000087768835 185231414 /nfs/dbraw/zinc/23/14/14/185231414.db2.gz RENQPFZLNGDDAO-GJZGRUSLSA-N 1 0 308.447 2.407 10 0 DEAERO OCC(CO)[NH2+][C@@H](c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000087750780 185231543 /nfs/dbraw/zinc/23/15/43/185231543.db2.gz RNPBUJAJWAGTRB-MRXNPFEDSA-N 1 0 307.777 2.078 10 0 DEAERO NNc1nc(NCc2sccc2Br)cc[nH+]1 ZINC000087896052 185235735 /nfs/dbraw/zinc/23/57/35/185235735.db2.gz VXABQMIAFJOWLG-UHFFFAOYSA-N 1 0 300.185 2.198 10 0 DEAERO Cn1ccnc1C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000328809590 231354798 /nfs/dbraw/zinc/35/47/98/231354798.db2.gz MEHGIPJSDYYJHT-CQSZACIVSA-N 1 0 323.400 2.163 10 0 DEAERO COc1ccc(Br)cc1C[C@@](C)(C[NH3+])[C@@H](C)O ZINC000087932059 185237669 /nfs/dbraw/zinc/23/76/69/185237669.db2.gz NFHPIWGFYLGNCH-RNCFNFMXSA-N 1 0 302.212 2.346 10 0 DEAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(Br)cc1Cl ZINC000088002599 185238073 /nfs/dbraw/zinc/23/80/73/185238073.db2.gz FOGDBALUSLQHNB-MRVPVSSYSA-N 1 0 307.575 2.015 10 0 DEAERO CC(C)(C)c1ccc(SC[C@@H](O)CN2CC[NH2+]CC2)cc1 ZINC000088061881 185238561 /nfs/dbraw/zinc/23/85/61/185238561.db2.gz MHTLFXDNZLWGAS-HNNXBMFYSA-N 1 0 308.491 2.342 10 0 DEAERO COc1ccc(Br)cc1C[S@](=O)CCC[NH3+] ZINC000088066641 185238647 /nfs/dbraw/zinc/23/86/47/185238647.db2.gz BGIQHFPYAVDXOG-INIZCTEOSA-N 1 0 306.225 2.055 10 0 DEAERO C[C@H]([NH3+])CCS(=O)(=O)Cc1ccccc1Br ZINC000088077454 185238895 /nfs/dbraw/zinc/23/88/95/185238895.db2.gz UBNSZGBMIGFOAP-VIFPVBQESA-N 1 0 306.225 2.101 10 0 DEAERO COc1cc(C)c(Br)cc1[C@@H]([NH3+])CCC(N)=O ZINC000088078819 185238996 /nfs/dbraw/zinc/23/89/96/185238996.db2.gz UETLYMWEWOKOFB-JTQLQIEISA-N 1 0 301.184 2.031 10 0 DEAERO O[C@@H](CNc1ccc(Br)c(F)c1)C[NH+]1CCCC1 ZINC000088084118 185239111 /nfs/dbraw/zinc/23/91/11/185239111.db2.gz HBQDNVJWKFDDKM-NSHDSACASA-N 1 0 317.202 2.457 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000087816050 185232460 /nfs/dbraw/zinc/23/24/60/185232460.db2.gz TXTBAHVOFPRVIL-NHYWBVRUSA-N 1 0 304.415 2.322 10 0 DEAERO C[NH2+]Cc1ccn(Cc2cc(OC)ccc2Br)n1 ZINC000087799512 185232694 /nfs/dbraw/zinc/23/26/94/185232694.db2.gz GKBVWNBBCUAFAI-UHFFFAOYSA-N 1 0 310.195 2.422 10 0 DEAERO CC(C)S(=O)(=O)Nc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000088191704 185241209 /nfs/dbraw/zinc/24/12/09/185241209.db2.gz AXJCOHUIZDVBDH-UHFFFAOYSA-N 1 0 309.313 2.140 10 0 DEAERO COc1cc(C[NH2+]C[C@@H](C)CO)cc(Br)c1OC ZINC000088195354 185241455 /nfs/dbraw/zinc/24/14/55/185241455.db2.gz ZZQBUWOBSZMBSP-SECBINFHSA-N 1 0 318.211 2.184 10 0 DEAERO O=C(C[C@H]1CCCCNC1=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000328882227 231376430 /nfs/dbraw/zinc/37/64/30/231376430.db2.gz WXWXLKGRVMZGAU-HUUCEWRRSA-N 1 0 307.438 2.077 10 0 DEAERO C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000174351482 282193622 /nfs/dbraw/zinc/19/36/22/282193622.db2.gz ASBINLYGQMCIRW-WCQYABFASA-N 1 0 311.376 2.462 10 0 DEAERO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328934977 231392293 /nfs/dbraw/zinc/39/22/93/231392293.db2.gz FKVMHDLWVFCGGT-CWLKWCNXSA-N 1 0 319.449 2.125 10 0 DEAERO C[NH+](C)C[C@H](O)CNc1cc(Cl)ccc1Br ZINC000088123116 185239958 /nfs/dbraw/zinc/23/99/58/185239958.db2.gz AVOYDAPTYYIAHF-SECBINFHSA-N 1 0 307.619 2.437 10 0 DEAERO O[C@H](CNc1c2nsnc2ccc1Cl)C[NH+]1CCCC1 ZINC000088120270 185240006 /nfs/dbraw/zinc/24/00/06/185240006.db2.gz VCWOJXNJVCBGNY-SECBINFHSA-N 1 0 312.826 2.213 10 0 DEAERO C[NH+](C)C[C@H](O)CNc1c2nsnc2c(Cl)cc1Cl ZINC000088119936 185240051 /nfs/dbraw/zinc/24/00/51/185240051.db2.gz FTFMWKOXRHIXFV-ZCFIWIBFSA-N 1 0 321.233 2.333 10 0 DEAERO C[NH2+]Cc1cn(-c2ccc(Cl)cc2Br)nn1 ZINC000088123793 185240101 /nfs/dbraw/zinc/24/01/01/185240101.db2.gz STEVMXSIEXUJDR-UHFFFAOYSA-N 1 0 301.575 2.403 10 0 DEAERO CC[NH2+][C@H]1CCCN(c2c3nsnc3ccc2Cl)C1=O ZINC000088128039 185240494 /nfs/dbraw/zinc/24/04/94/185240494.db2.gz ACNZVPANARROAR-JTQLQIEISA-N 1 0 310.810 2.450 10 0 DEAERO COC(=O)CS(=O)(=O)[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000081976049 192348593 /nfs/dbraw/zinc/34/85/93/192348593.db2.gz OQMXAQCYJXOAEZ-KBPBESRZSA-N 1 0 319.467 2.185 10 0 DEAERO CN(CCc1ccccc1)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000088244194 185243616 /nfs/dbraw/zinc/24/36/16/185243616.db2.gz PKFXARSYYGGKCJ-UHFFFAOYSA-N 1 0 310.444 2.070 10 0 DEAERO Cc1cc(C)nc(SC[C@@H](O)[C@H]([NH3+])Cc2ccccc2)n1 ZINC000088398535 185248338 /nfs/dbraw/zinc/24/83/38/185248338.db2.gz FBTGEWIMNWKDJF-HUUCEWRRSA-N 1 0 303.431 2.116 10 0 DEAERO [NH3+]Cc1ccc(CC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000088416621 185249131 /nfs/dbraw/zinc/24/91/31/185249131.db2.gz OIULRRYIUVZKSB-ZDUSSCGKSA-N 1 0 300.324 2.489 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)N(C)CCC(F)(F)F ZINC000088417517 185249249 /nfs/dbraw/zinc/24/92/49/185249249.db2.gz UDDXCROBIXEHDS-JTQLQIEISA-N 1 0 303.328 2.357 10 0 DEAERO Cc1nn(C)c(N2CCC[C@@H](C(F)(F)F)C2)c1C[C@@H](C)[NH3+] ZINC000088439383 185250715 /nfs/dbraw/zinc/25/07/15/185250715.db2.gz YIWJSXWDVVDATR-MWLCHTKSSA-N 1 0 304.360 2.397 10 0 DEAERO C[NH2+][C@@H](Cc1ccc2ccccc2n1)C(C)(C)S(C)(=O)=O ZINC000088519225 185254658 /nfs/dbraw/zinc/25/46/58/185254658.db2.gz MHJUPTWJNKSWKR-HNNXBMFYSA-N 1 0 306.431 2.189 10 0 DEAERO C[C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000088516391 185254721 /nfs/dbraw/zinc/25/47/21/185254721.db2.gz PDIVOCVKXYYPOL-JQWIXIFHSA-N 1 0 302.465 2.454 10 0 DEAERO CC1CCC(CC[NH2+]Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000088539577 185255541 /nfs/dbraw/zinc/25/55/41/185255541.db2.gz RCDHDIZJLNCTCH-UHFFFAOYSA-N 1 0 300.424 2.233 10 0 DEAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](S(=O)(=O)CCCOC)C1 ZINC000081986384 192349108 /nfs/dbraw/zinc/34/91/08/192349108.db2.gz LRHZHTUOBBUMSL-MGPQQGTHSA-N 1 0 305.484 2.370 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@H]2C)o1 ZINC000088551633 185257537 /nfs/dbraw/zinc/25/75/37/185257537.db2.gz SCGABPYOUBBODB-DGCLKSJQSA-N 1 0 300.424 2.246 10 0 DEAERO CC[NH2+][C@@H](Cc1ncnn1C)Cc1cccc(Br)c1 ZINC000088581824 185258406 /nfs/dbraw/zinc/25/84/06/185258406.db2.gz ZEOQOONNMNEGGM-CYBMUJFWSA-N 1 0 323.238 2.341 10 0 DEAERO CC[NH2+][C@H](Cc1ncnn1C)c1cccc(Br)c1 ZINC000088581766 185258558 /nfs/dbraw/zinc/25/85/58/185258558.db2.gz XOSWXYJMXQWHBL-GFCCVEGCSA-N 1 0 309.211 2.471 10 0 DEAERO CC(C)N(C)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000096956164 185393696 /nfs/dbraw/zinc/39/36/96/185393696.db2.gz YGHMECMVULJBQG-UHFFFAOYSA-N 1 0 317.433 2.204 10 0 DEAERO CCn1ncnc1C[C@H]([NH3+])c1cc(Cl)c(OC)c(OC)c1 ZINC000088610921 185259903 /nfs/dbraw/zinc/25/99/03/185259903.db2.gz JKHOTABAXUFTQF-NSHDSACASA-N 1 0 310.785 2.211 10 0 DEAERO CCc1noc(CC)c1CNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000088631340 185260453 /nfs/dbraw/zinc/26/04/53/185260453.db2.gz JTZFIHXYOXGFCR-UHFFFAOYSA-N 1 0 320.437 2.179 10 0 DEAERO CC[N@H+](C)CCNC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000088643131 185261408 /nfs/dbraw/zinc/26/14/08/185261408.db2.gz CDUXSZYOEZQRLH-UHFFFAOYSA-N 1 0 306.435 2.177 10 0 DEAERO CCOC(=O)[C@@H]1C[NH2+]CCN1[C@@H](C)c1ccc(SC)cc1 ZINC000088657994 185261845 /nfs/dbraw/zinc/26/18/45/185261845.db2.gz OKMGSGSPFZUQDI-WFASDCNBSA-N 1 0 308.447 2.306 10 0 DEAERO COc1cc(-c2nnc(CCC[NH3+])s2)cc(OC)c1OC ZINC000088809156 185266278 /nfs/dbraw/zinc/26/62/78/185266278.db2.gz ZMXRWUTUQRLNEY-UHFFFAOYSA-N 1 0 309.391 2.122 10 0 DEAERO CCC[NH2+]Cc1nnc(-c2ccc(S(C)(=O)=O)cc2)s1 ZINC000088814340 185266408 /nfs/dbraw/zinc/26/64/08/185266408.db2.gz HDRMYHZKKVXALV-UHFFFAOYSA-N 1 0 311.432 2.108 10 0 DEAERO CC[NH2+]Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000088813660 185266446 /nfs/dbraw/zinc/26/64/46/185266446.db2.gz BDKNRZGXIQVNOF-UHFFFAOYSA-N 1 0 309.391 2.340 10 0 DEAERO CC[NH2+][C@@H](C)c1nnc(-c2cccc(S(C)(=O)=O)c2)s1 ZINC000088821162 185266502 /nfs/dbraw/zinc/26/65/02/185266502.db2.gz KMNCKRCPVQALFE-VIFPVBQESA-N 1 0 311.432 2.279 10 0 DEAERO Cc1ccccc1S(=O)(=O)N(Cc1nccn1C)C1CC1 ZINC000088717766 185262979 /nfs/dbraw/zinc/26/29/79/185262979.db2.gz FXKZMZJYAPBBAW-UHFFFAOYSA-N 1 0 305.403 2.082 10 0 DEAERO CC[C@H](CS(=O)(=O)c1cccc(Br)c1)[NH2+]C ZINC000081982831 192349414 /nfs/dbraw/zinc/34/94/14/192349414.db2.gz ULRBSCYOCUICFV-SNVBAGLBSA-N 1 0 306.225 2.221 10 0 DEAERO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C1C[NH2+]C1 ZINC000090292107 185289628 /nfs/dbraw/zinc/28/96/28/185289628.db2.gz SJGUUVOBFBLJBL-UHFFFAOYSA-N 1 0 302.205 2.226 10 0 DEAERO Brc1ccc(Cn2cc(C[NH2+]C3CC3)nn2)cc1 ZINC000090297964 185289884 /nfs/dbraw/zinc/28/98/84/185289884.db2.gz LLUPUWSXGSMAOB-UHFFFAOYSA-N 1 0 307.195 2.341 10 0 DEAERO C[C@H](c1ccc(Br)cc1)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308270 185290217 /nfs/dbraw/zinc/29/02/17/185290217.db2.gz TVZAHITVAOEUAB-GFCCVEGCSA-N 1 0 324.266 2.100 10 0 DEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Br)s1 ZINC000090324614 185291111 /nfs/dbraw/zinc/29/11/11/185291111.db2.gz DYYFOXGIYRPADR-HLTSFMKQSA-N 1 0 315.236 2.191 10 0 DEAERO Cc1ccc(Br)cc1C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000090324718 185291141 /nfs/dbraw/zinc/29/11/41/185291141.db2.gz DVBKGJLWMZMHKC-COPLHBTASA-N 1 0 323.234 2.437 10 0 DEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)COc1cccc(Cl)c1 ZINC000090330892 185291349 /nfs/dbraw/zinc/29/13/49/185291349.db2.gz WASUYZCZMKWLJI-BYCMXARLSA-N 1 0 308.809 2.175 10 0 DEAERO Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000090327324 185291351 /nfs/dbraw/zinc/29/13/51/185291351.db2.gz OXPGPAYGZRBRLR-SGMGOOAPSA-N 1 0 307.825 2.127 10 0 DEAERO CC(C)([NH3+])CSCC(=O)NC(=O)c1ccc(Cl)cc1 ZINC000090358483 185292425 /nfs/dbraw/zinc/29/24/25/185292425.db2.gz KGUIUNQRUFFHOY-UHFFFAOYSA-N 1 0 300.811 2.067 10 0 DEAERO C[NH2+][C@H]1COC[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000090423181 185295390 /nfs/dbraw/zinc/29/53/90/185295390.db2.gz NWEXMCLCTRTLLO-QWRGUYRKSA-N 1 0 324.178 2.201 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1c1nc2cc(Br)ccc2n1C ZINC000090472515 185298221 /nfs/dbraw/zinc/29/82/21/185298221.db2.gz NBUJQFJXGUPQAW-CMPLNLGQSA-N 1 0 324.222 2.428 10 0 DEAERO Cc1ccc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])c(Br)c1 ZINC000090580190 185305015 /nfs/dbraw/zinc/30/50/15/185305015.db2.gz KOLSQVAFSHXDLP-YPMHNXCESA-N 1 0 313.195 2.060 10 0 DEAERO C(C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)OC1CCOCC1 ZINC000625277649 365710785 /nfs/dbraw/zinc/71/07/85/365710785.db2.gz JPMJJUOXFSXPHU-AWEZNQCLSA-N 1 0 320.437 2.057 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(CC(C)C)CC(F)(F)F ZINC000090542018 185301802 /nfs/dbraw/zinc/30/18/02/185301802.db2.gz GOHXJOGHCGGMFM-RYUDHWBXSA-N 1 0 310.360 2.048 10 0 DEAERO CC[C@@H]([NH3+])C[S@](=O)Cc1cc(Br)ccc1OC ZINC000166717764 197697952 /nfs/dbraw/zinc/69/79/52/197697952.db2.gz GVYZBNGQOUJPIA-DIFFPNOSSA-N 1 0 320.252 2.444 10 0 DEAERO C[C@]1(C(=O)Nc2nc3ccc(Cl)cc3s2)COC[C@@H]1[NH3+] ZINC000090580318 185304906 /nfs/dbraw/zinc/30/49/06/185304906.db2.gz LFBCPXSGCSWRBI-GWCFXTLKSA-N 1 0 311.794 2.252 10 0 DEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1cc(C2CC2)on1 ZINC000090700169 185310486 /nfs/dbraw/zinc/31/04/86/185310486.db2.gz OZESDRCBGCOFQS-LBPRGKRZSA-N 1 0 309.435 2.061 10 0 DEAERO COc1cccc(CC(=O)N2CCCSC[C@@H]2C[NH+](C)C)c1 ZINC000090700117 185310581 /nfs/dbraw/zinc/31/05/81/185310581.db2.gz NTUWWGOJLCUAFI-HNNXBMFYSA-N 1 0 322.474 2.133 10 0 DEAERO Brc1cncnc1N1CCC(C[NH2+]C2CC2)CC1 ZINC000090782567 185311763 /nfs/dbraw/zinc/31/17/63/185311763.db2.gz FJGQGJSAWOJLJQ-UHFFFAOYSA-N 1 0 311.227 2.208 10 0 DEAERO C[NH2+][C@H]1CCCCCC[C@H]1S(=O)(=O)CC(=O)OC(C)(C)C ZINC000166863756 197699435 /nfs/dbraw/zinc/69/94/35/197699435.db2.gz ODFXJGVMPGQQPI-QWHCGFSZSA-N 1 0 319.467 2.054 10 0 DEAERO Cc1cc(C[NH2+][C@]2(C)CCS(=O)(=O)C2)c2ccccc2n1 ZINC000092345559 185313563 /nfs/dbraw/zinc/31/35/63/185313563.db2.gz WDDDCIIFNCXYEM-MRXNPFEDSA-N 1 0 304.415 2.210 10 0 DEAERO CCC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1S(=O)(=O)CC ZINC000092388569 185315259 /nfs/dbraw/zinc/31/52/59/185315259.db2.gz JDSMTJLKZFMYEB-HZPDHXFCSA-N 1 0 311.447 2.485 10 0 DEAERO Nc1nc2cc(Br)cnc2n1[C@H]1CC[N@@H+](C2CC2)C1 ZINC000092575671 185326705 /nfs/dbraw/zinc/32/67/05/185326705.db2.gz ZARLQIJDSZYXIJ-JTQLQIEISA-N 1 0 322.210 2.185 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc2sccc2c(N)n1 ZINC000092669434 185332959 /nfs/dbraw/zinc/33/29/59/185332959.db2.gz JKMJHRRLWNOBJT-NSHDSACASA-N 1 0 305.451 2.190 10 0 DEAERO CNc1nc(CN(C)C[C@H]2CCC[N@@H+]2C)nc2sccc21 ZINC000092669282 185333134 /nfs/dbraw/zinc/33/31/34/185333134.db2.gz SNHWOBHWOIZUCH-LLVKDONJSA-N 1 0 305.451 2.259 10 0 DEAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C1(C(N)=S)CCCCCC1 ZINC000092631731 185330259 /nfs/dbraw/zinc/33/02/59/185330259.db2.gz CUIXROXGDJBUFX-ZDUSSCGKSA-N 1 0 311.495 2.166 10 0 DEAERO COCC[NH2+]C/C(=C\c1sc(N(C)C)nc1OC)C(C)C ZINC000092728676 185336373 /nfs/dbraw/zinc/33/63/73/185336373.db2.gz KAWPUEOGWBDYKB-FMIVXFBMSA-N 1 0 313.467 2.493 10 0 DEAERO CC(C)C[C@@H](CO)N(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000185449263 282262574 /nfs/dbraw/zinc/26/25/74/282262574.db2.gz CQTYIURYWUCQKC-LSDHHAIUSA-N 1 0 315.502 2.401 10 0 DEAERO Cc1sc(C[NH3+])cc1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833333 185344961 /nfs/dbraw/zinc/34/49/61/185344961.db2.gz KEJGSSBSMPSGCR-UHFFFAOYSA-N 1 0 302.465 2.228 10 0 DEAERO CCC[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)CCC ZINC000092859194 185346931 /nfs/dbraw/zinc/34/69/31/185346931.db2.gz FUWYQYMBAPHRPR-HZPDHXFCSA-N 1 0 311.447 2.485 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](S(=O)(=O)C1CCCCC1)C2 ZINC000092859256 185347029 /nfs/dbraw/zinc/34/70/29/185347029.db2.gz ONDDXXVOFYJATO-CVEARBPZSA-N 1 0 309.431 2.367 10 0 DEAERO CSCC(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000186242849 282270466 /nfs/dbraw/zinc/27/04/66/282270466.db2.gz UIDLLRQSRDCSIP-UHFFFAOYSA-N 1 0 309.435 2.187 10 0 DEAERO Cc1noc(Cl)c1CC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000181428736 199295484 /nfs/dbraw/zinc/29/54/84/199295484.db2.gz JGTGTAQQQDKVCM-UHFFFAOYSA-N 1 0 309.753 2.155 10 0 DEAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)N(C)c1ccccc1 ZINC000186395541 282274757 /nfs/dbraw/zinc/27/47/57/282274757.db2.gz VUXKMKONNXQATN-QGZVFWFLSA-N 1 0 304.390 2.067 10 0 DEAERO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@H]1CCCO1 ZINC000035735573 539334113 /nfs/dbraw/zinc/33/41/13/539334113.db2.gz IWUBRRBQJFYGRU-TVQRCGJNSA-N 1 0 307.781 2.234 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CC1(CO)CC1 ZINC000186920341 282285807 /nfs/dbraw/zinc/28/58/07/282285807.db2.gz ACAWOFVFJBNCRV-OAHLLOKOSA-N 1 0 311.470 2.055 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180500994 282299611 /nfs/dbraw/zinc/29/96/11/282299611.db2.gz GUDSZHJXTBYUDY-DGCLKSJQSA-N 1 0 302.426 2.109 10 0 DEAERO CN1CC[C@@H](C[N@H+](C)CCCn2ccnc2)[C@@H]1c1cccnc1 ZINC000328648083 529898990 /nfs/dbraw/zinc/89/89/90/529898990.db2.gz UKGDVGULDKTBGU-ROUUACIJSA-N 1 0 313.449 2.293 10 0 DEAERO C[N@H+](CCCO)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000440947155 529893985 /nfs/dbraw/zinc/89/39/85/529893985.db2.gz XKPSFVURLVXSIN-SFHVURJKSA-N 1 0 310.246 2.415 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC1CCN(C(C)=O)CC1 ZINC000080203256 539376992 /nfs/dbraw/zinc/37/69/92/539376992.db2.gz BQGMSMNEZINOJJ-QGZVFWFLSA-N 1 0 323.481 2.016 10 0 DEAERO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc2cccnc2n1 ZINC000614075603 362276670 /nfs/dbraw/zinc/27/66/70/362276670.db2.gz DDOADNLBUXHAOB-UHFFFAOYSA-N 1 0 310.401 2.234 10 0 DEAERO CO[C@H]1CN(C(=O)NCCC[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC000190487171 282321695 /nfs/dbraw/zinc/32/16/95/282321695.db2.gz VPYYNQQUTRPARU-HOTGVXAUSA-N 1 0 311.470 2.175 10 0 DEAERO CCCOc1ccc([C@H]2NN=C3CC[NH2+]C[C@H]32)cc1OCC ZINC000169966923 197762512 /nfs/dbraw/zinc/76/25/12/197762512.db2.gz SOZAWEIQIFETRF-CXAGYDPISA-N 1 0 303.406 2.484 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H]1COc2ccccc2C1 ZINC000046279811 190674852 /nfs/dbraw/zinc/67/48/52/190674852.db2.gz HTMDTYRKMWXLCY-DZGCQCFKSA-N 1 0 305.422 2.020 10 0 DEAERO Cc1nnc([C@@H]2Cc3ccccc3CN2C[C@]2(C)CC[NH2+]C2)o1 ZINC000261933919 282337936 /nfs/dbraw/zinc/33/79/36/282337936.db2.gz DALGHGCJMGENMM-FUHWJXTLSA-N 1 0 312.417 2.477 10 0 DEAERO Cc1nnc([C@@H]2Cc3ccccc3CN2C[C@@]2(C)CC[NH2+]C2)o1 ZINC000261933924 282337973 /nfs/dbraw/zinc/33/79/73/282337973.db2.gz DALGHGCJMGENMM-WMZOPIPTSA-N 1 0 312.417 2.477 10 0 DEAERO C[C@@H](O)CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000086013750 539403595 /nfs/dbraw/zinc/40/35/95/539403595.db2.gz FAQNULQGMLDKHL-KOLCDFICSA-N 1 0 308.205 2.094 10 0 DEAERO C[NH+]1CCC([C@H]2CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)CC1 ZINC000328648743 530051190 /nfs/dbraw/zinc/05/11/90/530051190.db2.gz IMSTZXFTQVBHTH-JKSUJKDBSA-N 1 0 321.465 2.466 10 0 DEAERO C[C@@H](CCc1ccc(O)cc1)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000195124540 282369347 /nfs/dbraw/zinc/36/93/47/282369347.db2.gz LXGIIBZLDANGQE-ZFWWWQNUSA-N 1 0 305.422 2.107 10 0 DEAERO CC(C)N(Cc1cccc(Cl)c1)C(=O)COC1(C)C[NH2+]C1 ZINC000098060953 539435802 /nfs/dbraw/zinc/43/58/02/539435802.db2.gz QTOCWERAKLKRAH-UHFFFAOYSA-N 1 0 310.825 2.456 10 0 DEAERO CCc1nc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cs1 ZINC000125404898 539472765 /nfs/dbraw/zinc/47/27/65/539472765.db2.gz CXPMJHAFKAEJBS-WDEREUQCSA-N 1 0 308.451 2.130 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(OCC(F)F)ccn1 ZINC000181803865 199354182 /nfs/dbraw/zinc/35/41/82/199354182.db2.gz BNKSUZPPIDEVGO-NSHDSACASA-N 1 0 315.364 2.186 10 0 DEAERO CC(C)Oc1cccnc1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000183243232 199560605 /nfs/dbraw/zinc/56/06/05/199560605.db2.gz ITAWHSNKMVOYJN-UHFFFAOYSA-N 1 0 315.373 2.459 10 0 DEAERO C[NH2+][C@@H](C)C1CCN(S(=O)(=O)c2ccc(C)s2)CC1 ZINC000111714324 185629301 /nfs/dbraw/zinc/62/93/01/185629301.db2.gz DFEJBCZSHOQVAX-NSHDSACASA-N 1 0 302.465 2.065 10 0 DEAERO CCC(CC)(C[NH3+])NC(=O)c1ccc(Br)cc1O ZINC000111831493 185639854 /nfs/dbraw/zinc/63/98/54/185639854.db2.gz CRCQSJYIJBUVSE-UHFFFAOYSA-N 1 0 315.211 2.402 10 0 DEAERO CCO[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C12CCCCC2 ZINC000246553941 282450501 /nfs/dbraw/zinc/45/05/01/282450501.db2.gz GWONHEWGXRSZRZ-BZUAXINKSA-N 1 0 323.481 2.460 10 0 DEAERO C[C@H]1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000235630981 201919612 /nfs/dbraw/zinc/91/96/12/201919612.db2.gz IGCIRBBOQLLDEI-CMPLNLGQSA-N 1 0 313.804 2.477 10 0 DEAERO CCOc1cccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)n1 ZINC000615630885 362665609 /nfs/dbraw/zinc/66/56/09/362665609.db2.gz HOKAGIUYGTYMHR-JGGQBBKZSA-N 1 0 304.390 2.254 10 0 DEAERO COC(=O)[C@H](C)[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000248618726 282518989 /nfs/dbraw/zinc/51/89/89/282518989.db2.gz ZRSKRDIPMOIEEP-JLLWLGSASA-N 1 0 305.296 2.050 10 0 DEAERO [NH3+][C@H](C(=O)N1CCO[C@@H](c2cccs2)C1)c1ccccc1 ZINC000156187707 539563427 /nfs/dbraw/zinc/56/34/27/539563427.db2.gz GAZKFCVSOQRMGH-HIFRSBDPSA-N 1 0 302.399 2.348 10 0 DEAERO CO[C@@H]1CC[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000249028125 282544665 /nfs/dbraw/zinc/54/46/65/282544665.db2.gz LGXHKOCNRJJQKB-IXDOHACOSA-N 1 0 319.449 2.026 10 0 DEAERO CC(C)[C@@H](NC(=O)CN1C[C@H](C)[NH2+][C@@H](C)C1)c1cccs1 ZINC000070078473 190856259 /nfs/dbraw/zinc/85/62/59/190856259.db2.gz UURPWOURMZLNQS-HEHGZKQESA-N 1 0 309.479 2.244 10 0 DEAERO C[C@H]1CC[C@@H](C[NH3+])CN1S(=O)(=O)c1cccc(Cl)c1 ZINC000070181106 190868627 /nfs/dbraw/zinc/86/86/27/190868627.db2.gz LFSOYGYNZWHCCX-QWRGUYRKSA-N 1 0 302.827 2.088 10 0 DEAERO CCCS(=O)(=O)c1ccc(N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000070178600 190869096 /nfs/dbraw/zinc/86/90/96/190869096.db2.gz FXTPAIXYFQPZDT-CJNGLKHVSA-N 1 0 310.463 2.434 10 0 DEAERO CC(C)(C)[NH2+]C[C@H](O)C[S@@](=O)c1ccc(F)c(Cl)c1 ZINC000126909933 185903125 /nfs/dbraw/zinc/90/31/25/185903125.db2.gz LNXHPRUQNUCQIA-UGZDLDLSSA-N 1 0 307.818 2.336 10 0 DEAERO CCN1CCO[C@H](C[NH2+]C)[C@@H]1c1ccc(Br)o1 ZINC000070288096 190877503 /nfs/dbraw/zinc/87/75/03/190877503.db2.gz GLKLDMFKKRMBES-PWSUYJOCSA-N 1 0 303.200 2.023 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](c2ccccc2CO)C1 ZINC000616612688 362897961 /nfs/dbraw/zinc/89/79/61/362897961.db2.gz QQJRRBLCCXOWRL-AWEZNQCLSA-N 1 0 320.433 2.493 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1c2ccccc2CCN1CC[NH3+] ZINC000616678150 362908461 /nfs/dbraw/zinc/90/84/61/362908461.db2.gz FGHLWEAGQIDISR-OAHLLOKOSA-N 1 0 305.422 2.069 10 0 DEAERO [NH3+]C1CCN(c2ncccc2-c2nc(-c3ccccn3)no2)CC1 ZINC000070458020 190897256 /nfs/dbraw/zinc/89/72/56/190897256.db2.gz CKANOUSPICSXCT-UHFFFAOYSA-N 1 0 322.372 2.121 10 0 DEAERO Fc1cc(F)cc(-c2cc3c(N4CC[NH2+]CC4)nccn3n2)c1 ZINC000070459162 190897753 /nfs/dbraw/zinc/89/77/53/190897753.db2.gz TWXMQKPHGHRQAH-UHFFFAOYSA-N 1 0 315.327 2.084 10 0 DEAERO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(Cl)cn1 ZINC000181096649 539649726 /nfs/dbraw/zinc/64/97/26/539649726.db2.gz GABYRGSOIPELGN-UHFFFAOYSA-N 1 0 310.829 2.218 10 0 DEAERO CN1C(=O)CC[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1=O ZINC000090024707 282621344 /nfs/dbraw/zinc/62/13/44/282621344.db2.gz NSYPVVIPBILBEA-RYUDHWBXSA-N 1 0 308.378 2.100 10 0 DEAERO C[C@@H](OCC1CC1)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182519901 539657329 /nfs/dbraw/zinc/65/73/29/539657329.db2.gz QWUBRABEZVJFTI-LSDHHAIUSA-N 1 0 304.434 2.438 10 0 DEAERO CC[NH2+]C[C@H]1CCCC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129997706 185927423 /nfs/dbraw/zinc/92/74/23/185927423.db2.gz LMHDGCNMZSMMRP-ARFHVFGLSA-N 1 0 316.511 2.464 10 0 DEAERO C[C@H]1C[N@H+](Cc2cccc3cnccc32)C[C@@H]1N1CCOCC1 ZINC000183397438 539661840 /nfs/dbraw/zinc/66/18/40/539661840.db2.gz MPZQLQFGTZALJK-KXBFYZLASA-N 1 0 311.429 2.387 10 0 DEAERO CC[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000083566356 192373498 /nfs/dbraw/zinc/37/34/98/192373498.db2.gz OFCSZXMOQCULES-RXMQYKEDSA-N 1 0 303.236 2.071 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC2(CO)CCC2)cc1NC(C)=O ZINC000184535996 539668385 /nfs/dbraw/zinc/66/83/85/539668385.db2.gz JTHCJAWULZDOFX-LBPRGKRZSA-N 1 0 306.406 2.467 10 0 DEAERO COC(=O)COC[C@@H]([NH3+])c1sc(C)cc1Br ZINC000083678643 192377667 /nfs/dbraw/zinc/37/76/67/192377667.db2.gz WYXRMBQPWVXGCJ-MRVPVSSYSA-N 1 0 308.197 2.008 10 0 DEAERO Cc1c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)ccn1C ZINC000192573495 539707849 /nfs/dbraw/zinc/70/78/49/539707849.db2.gz GVWBMGJUGHERRK-UHFFFAOYSA-N 1 0 312.417 2.375 10 0 DEAERO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC([NH+](C)C)CC1 ZINC000193817897 539715178 /nfs/dbraw/zinc/71/51/78/539715178.db2.gz AVOSOYHPCGVVPZ-AWEZNQCLSA-N 1 0 321.440 2.371 10 0 DEAERO COC[C@H]([NH3+])CCc1ccc(I)cc1 ZINC000083850036 192385967 /nfs/dbraw/zinc/38/59/67/192385967.db2.gz LNMOWCXPRNFSAD-LLVKDONJSA-N 1 0 305.159 2.198 10 0 DEAERO CCOc1ccc([C@@H](C[S@](=O)C2CCOCC2)[NH2+]C)cc1 ZINC000084054951 192398127 /nfs/dbraw/zinc/39/81/27/192398127.db2.gz DHKPGLDBMXVFOK-IIBYNOLFSA-N 1 0 311.447 2.274 10 0 DEAERO CC[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000080599496 192171118 /nfs/dbraw/zinc/17/11/18/192171118.db2.gz RPVFOWXAZPIWMM-OAHLLOKOSA-N 1 0 310.486 2.034 10 0 DEAERO CCC[NH2+][C@@H](C)c1cccc(S[C@H](C)C(=O)NC(N)=O)c1 ZINC000084126620 192404271 /nfs/dbraw/zinc/40/42/71/192404271.db2.gz WNTMEOVPRIDAMC-WDEREUQCSA-N 1 0 309.435 2.423 10 0 DEAERO CCCc1ccc(S(=O)(=O)N2CCC[C@H]([NH2+]CC)C2)cc1 ZINC000133331195 185974509 /nfs/dbraw/zinc/97/45/09/185974509.db2.gz KGQXYXCCTZWOSQ-HNNXBMFYSA-N 1 0 310.463 2.402 10 0 DEAERO Cc1ccc2ncnc(N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)c2c1 ZINC000333835402 282977677 /nfs/dbraw/zinc/97/76/77/282977677.db2.gz KCXHBZPQDSWOOF-WBVHZDCISA-N 1 0 312.417 2.271 10 0 DEAERO CC(C)[C@@H]1C[C@H](CNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCO1 ZINC000333835814 282977724 /nfs/dbraw/zinc/97/77/24/282977724.db2.gz UFPRZFOIFKYTBO-CVEARBPZSA-N 1 0 323.481 2.223 10 0 DEAERO CC[C@H]([NH3+])c1nc2cc(C)ccc2n1CCN1CCOCC1 ZINC000071666965 191001267 /nfs/dbraw/zinc/00/12/67/191001267.db2.gz PINAJQXFHOWZHG-AWEZNQCLSA-N 1 0 302.422 2.087 10 0 DEAERO CC(=O)N1CC(C)(C)Oc2ccc(C(=O)[C@H]3CCC[NH2+]C3)cc21 ZINC000071664584 191001440 /nfs/dbraw/zinc/00/14/40/191001440.db2.gz ATANPQCWCZZXPC-AWEZNQCLSA-N 1 0 316.401 2.393 10 0 DEAERO Cc1ccc2c(c1)nc([C@H](C)[NH3+])n2CC(=O)NC1CCCC1 ZINC000071666741 191001894 /nfs/dbraw/zinc/00/18/94/191001894.db2.gz SOAKADKVEHZJNB-LBPRGKRZSA-N 1 0 300.406 2.423 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000138269255 186015533 /nfs/dbraw/zinc/01/55/33/186015533.db2.gz NRQICHYNWQMDJF-SNVBAGLBSA-N 1 0 318.389 2.105 10 0 DEAERO CC1(C)C(NS(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1(C)C ZINC000139183217 186020254 /nfs/dbraw/zinc/02/02/54/186020254.db2.gz PTFDCUQYVSPZBO-UHFFFAOYSA-N 1 0 318.389 2.136 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(F)cc1Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000142251723 186031800 /nfs/dbraw/zinc/03/18/00/186031800.db2.gz CPZVIXFICCUFRA-GXFFZTMASA-N 1 0 319.829 2.434 10 0 DEAERO CC[C@H]1CN(S(=O)(=O)C[C@@H](C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000147395779 186039660 /nfs/dbraw/zinc/03/96/60/186039660.db2.gz IEKVPLOBRDVOPF-YCPHGPKFSA-N 1 0 310.463 2.179 10 0 DEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)c1cncs1 ZINC000147637273 186040626 /nfs/dbraw/zinc/04/06/26/186040626.db2.gz PFXFETRASOMMJD-MRVPVSSYSA-N 1 0 315.240 2.451 10 0 DEAERO [NH3+]C[C@@]1(Nc2ccccc2)CCS(=O)(=O)c2ccccc21 ZINC000147658632 186040682 /nfs/dbraw/zinc/04/06/82/186040682.db2.gz IHOGGQYFFLTDDG-INIZCTEOSA-N 1 0 302.399 2.130 10 0 DEAERO CC(C)[NH2+]CCCc1ccc(S(=O)(=O)NCC(F)F)cc1 ZINC000148160998 186043242 /nfs/dbraw/zinc/04/32/42/186043242.db2.gz JWFARXRVCJGPRS-UHFFFAOYSA-N 1 0 320.405 2.161 10 0 DEAERO CC[C@@H]1N[C@@H](c2cccs2)N([C@@H]2CCC[N@H+](CC)C2)C1=O ZINC000144296360 186034614 /nfs/dbraw/zinc/03/46/14/186034614.db2.gz LRFGYZGKJOUNPU-VNHYZAJKSA-N 1 0 307.463 2.441 10 0 DEAERO Cc1ccc([C@H]2NC3(CC3)C(=O)N2CCCC[NH+](C)C)s1 ZINC000144554344 186036085 /nfs/dbraw/zinc/03/60/85/186036085.db2.gz OAIJGZJAEGXTTO-AWEZNQCLSA-N 1 0 307.463 2.361 10 0 DEAERO CC(C)C[C@@H]1N[C@H](c2cccs2)N([C@@H]2CC[N@H+](C)C2)C1=O ZINC000145173310 186036763 /nfs/dbraw/zinc/03/67/63/186036763.db2.gz SLWWYRQMKSKNKV-IPYPFGDCSA-N 1 0 307.463 2.297 10 0 DEAERO CC[NH+]1CCC(CN2C(=O)[C@@H](C)N[C@H]2c2cccs2)CC1 ZINC000145511811 186037446 /nfs/dbraw/zinc/03/74/46/186037446.db2.gz IDKDMMILVKFCSB-IUODEOHRSA-N 1 0 307.463 2.299 10 0 DEAERO Cc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)nn1C(C)(C)C ZINC000148917358 186046317 /nfs/dbraw/zinc/04/63/17/186046317.db2.gz OUMNNZWZDXPNNG-UHFFFAOYSA-N 1 0 304.438 2.257 10 0 DEAERO [NH3+]CC1(NS(=O)(=O)CCc2ccccc2)CCCCCC1 ZINC000149264096 186048216 /nfs/dbraw/zinc/04/82/16/186048216.db2.gz ZPESKAYYHUMERE-UHFFFAOYSA-N 1 0 310.463 2.200 10 0 DEAERO CCC[NH2+][C@@H](CC1CC1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000149194098 186048599 /nfs/dbraw/zinc/04/85/99/186048599.db2.gz PRZKLYQDFGTUOZ-GJZGRUSLSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@H](CS(=O)(=O)N(CC[NH3+])C1CCCC1)c1ccccc1 ZINC000149283893 186049335 /nfs/dbraw/zinc/04/93/35/186049335.db2.gz LQGHRHXSEWSXDD-CQSZACIVSA-N 1 0 310.463 2.323 10 0 DEAERO C[C@H]1CCC[C@](C[NH3+])(NS(=O)(=O)CCc2ccccc2)C1 ZINC000149591066 186051614 /nfs/dbraw/zinc/05/16/14/186051614.db2.gz JBHHVYDAJFRYLW-HOCLYGCPSA-N 1 0 310.463 2.056 10 0 DEAERO O=C1C[C@@H]([NH2+]C[C@@H]2CCCS2)C(=O)N1C1CCCCCC1 ZINC000149831575 186053063 /nfs/dbraw/zinc/05/30/63/186053063.db2.gz OIRIPVGWANOYJL-UONOGXRCSA-N 1 0 310.463 2.322 10 0 DEAERO C[C@H](CC(=O)NC[C@@H](O)c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000262629041 282676151 /nfs/dbraw/zinc/67/61/51/282676151.db2.gz VAYZXEAZUNBNDL-XNRPHZJLSA-N 1 0 308.397 2.001 10 0 DEAERO C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000150093707 186054752 /nfs/dbraw/zinc/05/47/52/186054752.db2.gz GZPINDMAPOUQIS-CMPLNLGQSA-N 1 0 323.336 2.280 10 0 DEAERO Cc1cc(C)cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000150787995 186066055 /nfs/dbraw/zinc/06/60/55/186066055.db2.gz YMKZLNWPQTYKJB-GOEBONIOSA-N 1 0 317.433 2.087 10 0 DEAERO CCc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000150795897 186066239 /nfs/dbraw/zinc/06/62/39/186066239.db2.gz RXJJENMIXUQEPP-XJKSGUPXSA-N 1 0 317.433 2.032 10 0 DEAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152428010 186072124 /nfs/dbraw/zinc/07/21/24/186072124.db2.gz AUZLDRLMEDLJKA-CZUORRHYSA-N 1 0 312.417 2.452 10 0 DEAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1ccccc1OC(F)F ZINC000155679978 186102419 /nfs/dbraw/zinc/10/24/19/186102419.db2.gz FGYHUJFTIVFSSR-RYUDHWBXSA-N 1 0 312.360 2.382 10 0 DEAERO CCc1noc(C)c1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000155718848 186106270 /nfs/dbraw/zinc/10/62/70/186106270.db2.gz KIONYBOSFNCFJD-TZMCWYRMSA-N 1 0 306.410 2.493 10 0 DEAERO COc1cc(C)ccc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000155782892 186112787 /nfs/dbraw/zinc/11/27/87/186112787.db2.gz DYUZBXOUTYYWHY-HOCLYGCPSA-N 1 0 317.433 2.382 10 0 DEAERO NC(=O)[C@H]1CCCCN1c1ccc(C(F)(F)F)c(C[NH3+])c1 ZINC000163974501 186144443 /nfs/dbraw/zinc/14/44/43/186144443.db2.gz CJEQKIWBKTULCK-GFCCVEGCSA-N 1 0 301.312 2.008 10 0 DEAERO Fc1ccc(COC[C@H]2C[NH2+]CCO2)c(Br)c1 ZINC000163979880 186144817 /nfs/dbraw/zinc/14/48/17/186144817.db2.gz ZPKDEUGLNGYOEY-LLVKDONJSA-N 1 0 304.159 2.093 10 0 DEAERO CC1CC(NS(=O)(=O)c2cc(F)c(Cl)c(C[NH3+])c2)C1 ZINC000164000918 186145732 /nfs/dbraw/zinc/14/57/32/186145732.db2.gz KBOHDQRCKNYPSN-UHFFFAOYSA-N 1 0 306.790 2.015 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000155917903 186122874 /nfs/dbraw/zinc/12/28/74/186122874.db2.gz BPCOAZLRGMFWRM-TYNCELHUSA-N 1 0 304.438 2.215 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1ccc(Br)cc1C ZINC000159552471 186127030 /nfs/dbraw/zinc/12/70/30/186127030.db2.gz QHPYZCSFWIXLKR-LLVKDONJSA-N 1 0 315.211 2.450 10 0 DEAERO CSc1cc2c(cc1C[NH2+]C[C@H](C)[S@@](C)=O)OCCO2 ZINC000159651446 186133197 /nfs/dbraw/zinc/13/31/97/186133197.db2.gz QNRHMCURVQSFLG-FVINQWEUSA-N 1 0 315.460 2.036 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1Nc1ncc(Cl)cc1Br ZINC000159674428 186134634 /nfs/dbraw/zinc/13/46/34/186134634.db2.gz IXPRBCJHNDDELQ-BBBLOLIVSA-N 1 0 320.618 2.414 10 0 DEAERO CCn1ncc(Br)c1C(=O)CC1CC[NH2+]CC1 ZINC000164160726 186150500 /nfs/dbraw/zinc/15/05/00/186150500.db2.gz FVOIBQLUVIIFKI-UHFFFAOYSA-N 1 0 300.200 2.238 10 0 DEAERO C[C@H]1CN(c2ccc(C(F)(F)F)c(C(N)=S)c2)CC[N@@H+]1C ZINC000164215957 186152914 /nfs/dbraw/zinc/15/29/14/186152914.db2.gz FAZICUSYAFRYRN-VIFPVBQESA-N 1 0 317.380 2.480 10 0 DEAERO CC(C)n1ncc(Br)c1C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000164278025 186154350 /nfs/dbraw/zinc/15/43/50/186154350.db2.gz AYHWBJNKXGTKTM-DTWKUNHWSA-N 1 0 300.200 2.265 10 0 DEAERO [NH3+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1cscc1Br ZINC000164381630 186158005 /nfs/dbraw/zinc/15/80/05/186158005.db2.gz SWPVFICRSZIOFN-OIBJUYFYSA-N 1 0 324.265 2.335 10 0 DEAERO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000177845386 186192040 /nfs/dbraw/zinc/19/20/40/186192040.db2.gz HLIVTRUTFNTKHM-SECBINFHSA-N 1 0 317.202 2.402 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000187992577 186240292 /nfs/dbraw/zinc/24/02/92/186240292.db2.gz NUQJRBKEVQHXIF-WBMJQRKESA-N 1 0 304.394 2.058 10 0 DEAERO COc1ccc(F)cc1NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262880453 186317764 /nfs/dbraw/zinc/31/77/64/186317764.db2.gz YVUCHBUYWSKJPV-LBPRGKRZSA-N 1 0 318.352 2.208 10 0 DEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCO[C@H](C2CCCCC2)C1 ZINC000333877421 282983984 /nfs/dbraw/zinc/98/39/84/282983984.db2.gz VPJWQJJBQWKKGC-HOTGVXAUSA-N 1 0 309.454 2.119 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000172307499 198077000 /nfs/dbraw/zinc/07/70/00/198077000.db2.gz QRRZNFAXZXROLN-HOTGVXAUSA-N 1 0 306.450 2.073 10 0 DEAERO CCc1cnc(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000080623298 192174435 /nfs/dbraw/zinc/17/44/35/192174435.db2.gz KDTZDHGKDNFDME-LBPRGKRZSA-N 1 0 310.467 2.379 10 0 DEAERO Cc1cc(C)cc(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000172644072 198130604 /nfs/dbraw/zinc/13/06/04/198130604.db2.gz RCFLYNCKCOFXKL-QGZVFWFLSA-N 1 0 301.434 2.336 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cccn3Cc3ccccc3)C[C@H]12 ZINC000309751939 539879129 /nfs/dbraw/zinc/87/91/29/539879129.db2.gz ZRKWZKNMNNHMPH-YESZJQIVSA-N 1 0 309.413 2.346 10 0 DEAERO C[C@H]1[C@@H](NC(=O)c2ncccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000309734762 539878596 /nfs/dbraw/zinc/87/85/96/539878596.db2.gz QHNOROUYLYVCNP-BBRMVZONSA-N 1 0 310.401 2.057 10 0 DEAERO Cc1nc(C)c(Br)c(N2C[C@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000322942531 539903266 /nfs/dbraw/zinc/90/32/66/539903266.db2.gz IEJYATQBRWEXOT-GZMMTYOYSA-N 1 0 313.243 2.242 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000173279090 198205439 /nfs/dbraw/zinc/20/54/39/198205439.db2.gz ZJOSJJFAVQJHJE-CHWSQXEVSA-N 1 0 314.426 2.237 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(F)ccc2F)CC[N@@H+]1C ZINC000173277058 198205924 /nfs/dbraw/zinc/20/59/24/198205924.db2.gz VZKGIGHGKKBEQE-PWSUYJOCSA-N 1 0 318.389 2.068 10 0 DEAERO Cc1cc2cc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)oc2cc1C ZINC000173521275 198223234 /nfs/dbraw/zinc/22/32/34/198223234.db2.gz XEDKHOICLXWNJC-OAHLLOKOSA-N 1 0 316.401 2.452 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCCc2cccc(F)c2)CC[N@@H+]1C ZINC000173541685 198225253 /nfs/dbraw/zinc/22/52/53/198225253.db2.gz HOULPRGPKIUSMX-CZUORRHYSA-N 1 0 307.413 2.492 10 0 DEAERO Cc1nccn1CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309756374 282866708 /nfs/dbraw/zinc/86/67/08/282866708.db2.gz XBFJUUZAHDKOBE-HNNXBMFYSA-N 1 0 322.453 2.428 10 0 DEAERO Cc1cc(NC(=O)NC[C@H]2CN(C)CCO2)ccc1OC(C)C ZINC000173720200 198244047 /nfs/dbraw/zinc/24/40/47/198244047.db2.gz KXXGMMKDFULOGK-HNNXBMFYSA-N 1 0 321.421 2.234 10 0 DEAERO Cc1ccccc1O[C@H](C)CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000173916930 198267899 /nfs/dbraw/zinc/26/78/99/198267899.db2.gz OGYCRSFAPCDYGU-HUUCEWRRSA-N 1 0 305.422 2.108 10 0 DEAERO Cc1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)o1 ZINC000073010018 191268703 /nfs/dbraw/zinc/26/87/03/191268703.db2.gz ZPTXYKVYUFMTLL-HNNXBMFYSA-N 1 0 301.390 2.194 10 0 DEAERO COCc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000173813610 198256130 /nfs/dbraw/zinc/25/61/30/198256130.db2.gz PJEGUFAZTABUIY-YOEHRIQHSA-N 1 0 319.449 2.457 10 0 DEAERO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000174004232 198279613 /nfs/dbraw/zinc/27/96/13/198279613.db2.gz IVLVLRWPPFJEIT-GXTWGEPZSA-N 1 0 323.412 2.458 10 0 DEAERO CCn1c(N)[nH+]c2cc(I)c(F)cc21 ZINC000085108723 192480766 /nfs/dbraw/zinc/48/07/66/192480766.db2.gz NYJFFGYZZJZRBB-UHFFFAOYSA-N 1 0 305.094 2.382 10 0 DEAERO C[C@H](CCOc1ccccc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000174295819 198316395 /nfs/dbraw/zinc/31/63/95/198316395.db2.gz USMARJMDVIBHDT-HZPDHXFCSA-N 1 0 302.418 2.398 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1c(C)noc1C ZINC000174343722 198321923 /nfs/dbraw/zinc/32/19/23/198321923.db2.gz NIKPIGHBRRHFEM-UONOGXRCSA-N 1 0 306.410 2.060 10 0 DEAERO Cc1cccc(O[C@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000174351324 198323833 /nfs/dbraw/zinc/32/38/33/198323833.db2.gz ISCNMCCSUJWQHQ-CABCVRRESA-N 1 0 305.422 2.156 10 0 DEAERO CCCC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174853350 198393057 /nfs/dbraw/zinc/39/30/57/198393057.db2.gz ZEAICRYKDCIWMS-KRWDZBQOSA-N 1 0 304.434 2.348 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccccc1OC ZINC000175022028 198417142 /nfs/dbraw/zinc/41/71/42/198417142.db2.gz SFGSQGMQEVLSFS-LSDHHAIUSA-N 1 0 318.417 2.159 10 0 DEAERO CCCCNC(=O)C1(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000236778108 202003760 /nfs/dbraw/zinc/00/37/60/202003760.db2.gz LHYKSXVYSMAJGX-GJZGRUSLSA-N 1 0 323.481 2.239 10 0 DEAERO CCOC[C@H](C)[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000044425891 354235668 /nfs/dbraw/zinc/23/56/68/354235668.db2.gz NTYSUXLYGCSQKP-WFASDCNBSA-N 1 0 301.814 2.232 10 0 DEAERO Cc1cccc(C(=O)N(C)CC2C[NH+](C)C2)c1Br ZINC000618192191 363409573 /nfs/dbraw/zinc/40/95/73/363409573.db2.gz FZGGCMWCYXJIHS-UHFFFAOYSA-N 1 0 311.223 2.391 10 0 DEAERO COc1cccc(F)c1[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000074267401 355018746 /nfs/dbraw/zinc/01/87/46/355018746.db2.gz SYNDMDMBEQEKMD-NWDGAFQWSA-N 1 0 321.396 2.431 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000236819711 202025538 /nfs/dbraw/zinc/02/55/38/202025538.db2.gz ZXHCJVJGAKFSGX-GFCCVEGCSA-N 1 0 307.785 2.046 10 0 DEAERO CNS(=O)(=O)CCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076804909 355168887 /nfs/dbraw/zinc/16/88/87/355168887.db2.gz DLYBSDULKFKZMV-CYBMUJFWSA-N 1 0 300.424 2.136 10 0 DEAERO COC(C)(C)C[C@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000073722364 191346486 /nfs/dbraw/zinc/34/64/86/191346486.db2.gz ZIBUHHXAMDBZRA-UONOGXRCSA-N 1 0 301.475 2.466 10 0 DEAERO O=C1CC[C@@H](C[NH2+][C@H]2CCc3sc(Br)cc32)N1 ZINC000384028233 540125414 /nfs/dbraw/zinc/12/54/14/540125414.db2.gz KZDBJLOGBBSGKP-CBAPKCEASA-N 1 0 315.236 2.366 10 0 DEAERO CO[C@]1(C)C[C@@H](NC(=O)N2CCC[N@@H+](C3CC3)CC2)C1(C)C ZINC000074943818 191392640 /nfs/dbraw/zinc/39/26/40/191392640.db2.gz SXRNRVGFCFCQLT-RHSMWYFYSA-N 1 0 309.454 2.070 10 0 DEAERO C[C@@H](C1CC1)[NH+]1CCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000074884364 191378880 /nfs/dbraw/zinc/37/88/80/191378880.db2.gz BLHVYFROGPFOEX-AWEZNQCLSA-N 1 0 301.434 2.309 10 0 DEAERO [NH3+]C[C@@H](NC(=O)c1ccccc1Br)C(F)(F)F ZINC000401872493 540143154 /nfs/dbraw/zinc/14/31/54/540143154.db2.gz LPOIVXLDJAEBCD-MRVPVSSYSA-N 1 0 311.101 2.069 10 0 DEAERO CO[C@@]1(CO)CCC[N@H+](Cc2ccccc2Br)C1 ZINC000401772890 540142162 /nfs/dbraw/zinc/14/21/62/540142162.db2.gz KPCVMIBKAUHFFK-AWEZNQCLSA-N 1 0 314.223 2.422 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1cccn1Cc1ccccc1)C(F)(F)F ZINC000401765474 540142401 /nfs/dbraw/zinc/14/24/01/540142401.db2.gz YBCQETZBOJPJFY-ZDUSSCGKSA-N 1 0 311.307 2.156 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1ccccc1C(F)(F)F)C(F)(F)F ZINC000401715592 540142629 /nfs/dbraw/zinc/14/26/29/540142629.db2.gz KSWZZGRLAAHDSQ-QMMMGPOBSA-N 1 0 300.202 2.325 10 0 DEAERO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000367413107 283113667 /nfs/dbraw/zinc/11/36/67/283113667.db2.gz PEEJIZBAPQFKHO-OCCSQVGLSA-N 1 0 314.495 2.276 10 0 DEAERO CCN(CC)C(=O)c1cccc(NC(=O)CC2CC[NH2+]CC2)c1 ZINC000236823351 202026356 /nfs/dbraw/zinc/02/63/56/202026356.db2.gz PJDUNHUVYIDRQQ-UHFFFAOYSA-N 1 0 317.433 2.497 10 0 DEAERO COc1ccnc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000116202898 355773239 /nfs/dbraw/zinc/77/32/39/355773239.db2.gz BHKPFZWUZZLVJH-UHFFFAOYSA-N 1 0 317.364 2.221 10 0 DEAERO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000236824251 202026877 /nfs/dbraw/zinc/02/68/77/202026877.db2.gz ZKHWLVCGJUBQPU-CABCVRRESA-N 1 0 303.406 2.235 10 0 DEAERO Nc1nc(N2CCCCC2)c2ccc(N3CCOCC3)cc2[nH+]1 ZINC000118857339 355782222 /nfs/dbraw/zinc/78/22/22/355782222.db2.gz JWHYYNGBCFLTOK-UHFFFAOYSA-N 1 0 313.405 2.039 10 0 DEAERO Cc1cccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000123738394 355806104 /nfs/dbraw/zinc/80/61/04/355806104.db2.gz VJLANFIAIKTBPT-KRWDZBQOSA-N 1 0 312.417 2.492 10 0 DEAERO [NH3+][C@@H](Cc1ccc(OCCCCC2CC[NH2+]CC2)cc1)C(=O)[O-] ZINC000139266070 355875650 /nfs/dbraw/zinc/87/56/50/355875650.db2.gz IQEHUGRIZSXDLZ-KRWDZBQOSA-N 1 0 320.433 2.190 10 0 DEAERO Cc1nn(CCCC[C@@](C)(O)C[NH3+])c(C)c1Br ZINC000085304386 192488874 /nfs/dbraw/zinc/48/88/74/192488874.db2.gz MMYVDQBRQQKFNP-GFCCVEGCSA-N 1 0 304.232 2.142 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCOc1cccc(Cl)c1 ZINC000139674705 355878680 /nfs/dbraw/zinc/87/86/80/355878680.db2.gz KDNGUPYKOAKQEZ-ZDUSSCGKSA-N 1 0 311.813 2.112 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C(=O)NC)c1 ZINC000180843942 356063254 /nfs/dbraw/zinc/06/32/54/356063254.db2.gz FWRHYADMUMZVKQ-IAGOWNOFSA-N 1 0 301.434 2.105 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C ZINC000180086915 356041847 /nfs/dbraw/zinc/04/18/47/356041847.db2.gz FUOJHKOTYUJTTM-HNNXBMFYSA-N 1 0 322.497 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000179338962 356021905 /nfs/dbraw/zinc/02/19/05/356021905.db2.gz OBDRMUXVRWXRMF-HOCLYGCPSA-N 1 0 304.434 2.474 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000180840229 356062835 /nfs/dbraw/zinc/06/28/35/356062835.db2.gz XJSOCSJIXBJIOD-YXJHDRRASA-N 1 0 319.493 2.335 10 0 DEAERO C[C@H](Cc1ccccc1)C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000182027810 356105416 /nfs/dbraw/zinc/10/54/16/356105416.db2.gz SAKZYEDUQGIKJD-SJLPKXTDSA-N 1 0 316.445 2.188 10 0 DEAERO CC[C@H]1CN(C(=O)NCC2(C3CC3)CCC2)CC[N@@H+]1C[C@@H](C)O ZINC000182034278 356106264 /nfs/dbraw/zinc/10/62/64/356106264.db2.gz MBGFBGGSYMETMC-ZBFHGGJFSA-N 1 0 323.481 2.053 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(-n2ccnn2)cc1 ZINC000182051053 356106966 /nfs/dbraw/zinc/10/69/66/356106966.db2.gz KWNDHCFXFFSNQL-CJNGLKHVSA-N 1 0 318.421 2.094 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(-n2ccnn2)cc1 ZINC000182051092 356107278 /nfs/dbraw/zinc/10/72/78/356107278.db2.gz KWNDHCFXFFSNQL-CZUORRHYSA-N 1 0 318.421 2.094 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)NCC2(C)CCCCCC2)CCO1 ZINC000181715196 356091792 /nfs/dbraw/zinc/09/17/92/356091792.db2.gz UOMQQNPNWYYFPZ-OAHLLOKOSA-N 1 0 311.470 2.319 10 0 DEAERO COc1cccc([C@H](C)[NH2+][C@@H](CC(N)=O)C2CCOCC2)c1 ZINC000181967691 356102599 /nfs/dbraw/zinc/10/25/99/356102599.db2.gz UOSSEKQVKFXSHO-LRDDRELGSA-N 1 0 306.406 2.016 10 0 DEAERO CCC[NH2+][C@H](C)C1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000080185219 192010054 /nfs/dbraw/zinc/01/00/54/192010054.db2.gz NXMOOIVOXKDKQX-CYBMUJFWSA-N 1 0 304.500 2.462 10 0 DEAERO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccccc1-n1cccn1 ZINC000183137235 356161288 /nfs/dbraw/zinc/16/12/88/356161288.db2.gz XDBCMMQLLAZLEA-CQSZACIVSA-N 1 0 312.417 2.391 10 0 DEAERO CC[NH+](CC)CCCNC(=O)NCCCc1c(C)nn(C)c1C ZINC000183183684 356162398 /nfs/dbraw/zinc/16/23/98/356162398.db2.gz IMUAHOUCBJLASP-UHFFFAOYSA-N 1 0 323.485 2.001 10 0 DEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(Br)c(O)c1 ZINC000236229980 356288946 /nfs/dbraw/zinc/28/89/46/356288946.db2.gz GDRRFAOVBMCBSE-JTQLQIEISA-N 1 0 313.195 2.108 10 0 DEAERO CC[C@@]1(C)CSC(NCc2ccc(S(C)(=O)=O)cc2)=[NH+]1 ZINC000080884210 192198288 /nfs/dbraw/zinc/19/82/88/192198288.db2.gz JQKDFINKORPEDK-AWEZNQCLSA-N 1 0 312.460 2.451 10 0 DEAERO [NH3+]Cc1ccnc(OC(F)(F)F)c1I ZINC000238690697 356304954 /nfs/dbraw/zinc/30/49/54/356304954.db2.gz AAONBBFQRMZZER-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO COC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000249784783 356331565 /nfs/dbraw/zinc/33/15/65/356331565.db2.gz LXHHPXROKBOPSR-SWLSCSKDSA-N 1 0 309.385 2.304 10 0 DEAERO CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C(=O)OC(C)C ZINC000262442456 356341929 /nfs/dbraw/zinc/34/19/29/356341929.db2.gz BKRRPQXGAJWECM-FZKCQIBNSA-N 1 0 324.465 2.390 10 0 DEAERO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n(C)n1 ZINC000400327170 283155547 /nfs/dbraw/zinc/15/55/47/283155547.db2.gz CPFWQPLKRISTQE-UONOGXRCSA-N 1 0 322.453 2.464 10 0 DEAERO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400495727 283157731 /nfs/dbraw/zinc/15/77/31/283157731.db2.gz AUWDEXVULXPNPT-REWJHTLYSA-N 1 0 312.454 2.381 10 0 DEAERO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n(C)n1 ZINC000400327172 283155777 /nfs/dbraw/zinc/15/57/77/283155777.db2.gz CPFWQPLKRISTQE-ZIAGYGMSSA-N 1 0 322.453 2.464 10 0 DEAERO CC(C)[C@H](CO)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400391042 283156162 /nfs/dbraw/zinc/15/61/62/283156162.db2.gz OEQWITASNAAROG-KFWWJZLASA-N 1 0 314.470 2.486 10 0 DEAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nncn1C ZINC000400399505 283156621 /nfs/dbraw/zinc/15/66/21/283156621.db2.gz KFICWALKDICHII-RWMBFGLXSA-N 1 0 323.441 2.111 10 0 DEAERO O[C@@H](c1cc(Br)cc(Br)c1)C1C[NH2+]C1 ZINC000306612018 356404974 /nfs/dbraw/zinc/40/49/74/356404974.db2.gz HTKKMTQVHUQAOJ-JTQLQIEISA-N 1 0 321.012 2.464 10 0 DEAERO CC[NH2+]C(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C ZINC000306619106 356405034 /nfs/dbraw/zinc/40/50/34/356405034.db2.gz UGORPSKTCIVDCI-UHFFFAOYSA-N 1 0 317.430 2.014 10 0 DEAERO Brc1ccc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)s1 ZINC000404284205 283165122 /nfs/dbraw/zinc/16/51/22/283165122.db2.gz WTHSUJONCCOBOP-GHMZBOCLSA-N 1 0 317.252 2.073 10 0 DEAERO CC(C)c1nccc(N2CCO[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000328621154 356462092 /nfs/dbraw/zinc/46/20/92/356462092.db2.gz AIMZQCPAHSROST-OAHLLOKOSA-N 1 0 304.438 2.147 10 0 DEAERO CCc1ccc(C(=O)N(Cc2cccnc2)C[C@@H]2CC[NH2+]C2)o1 ZINC000328627216 356463339 /nfs/dbraw/zinc/46/33/39/356463339.db2.gz FWEOOEQIYFEVRA-OAHLLOKOSA-N 1 0 313.401 2.489 10 0 DEAERO [NH3+]C[C@H](c1ccc(Cl)c(Cl)c1)N1CCn2cnnc2C1 ZINC000081532722 192284734 /nfs/dbraw/zinc/28/47/34/192284734.db2.gz QESYZLFJFCEXCH-GFCCVEGCSA-N 1 0 312.204 2.101 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCn2cnnc2C1 ZINC000081530795 192285055 /nfs/dbraw/zinc/28/50/55/192285055.db2.gz YVLMILFUUKEJQC-DZGCQCFKSA-N 1 0 305.813 2.226 10 0 DEAERO CC[C@@H]([NH3+])Cc1c(Cl)cccc1N1CCn2cnnc2C1 ZINC000081544529 192287376 /nfs/dbraw/zinc/28/73/76/192287376.db2.gz YTNJZZZINFBDDG-LLVKDONJSA-N 1 0 305.813 2.232 10 0 DEAERO NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000081635415 192305451 /nfs/dbraw/zinc/30/54/51/192305451.db2.gz WJTCWPJYGVOYEE-HUUCEWRRSA-N 1 0 308.447 2.392 10 0 DEAERO CC[NH+]1CCC(CNc2nnc(Br)s2)CC1 ZINC000081664370 192308148 /nfs/dbraw/zinc/30/81/48/192308148.db2.gz FATLKGURGZKQED-UHFFFAOYSA-N 1 0 305.245 2.444 10 0 DEAERO CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000236963376 202097374 /nfs/dbraw/zinc/09/73/74/202097374.db2.gz FINMGCSULNSZOK-JSGCOSHPSA-N 1 0 303.406 2.201 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2csc(Br)c2)C1 ZINC000382471323 356675327 /nfs/dbraw/zinc/67/53/27/356675327.db2.gz BQYAGKUZBNXKJS-VXNVDRBHSA-N 1 0 303.225 2.368 10 0 DEAERO C[C@]1(C(=O)N2CCC(OCc3ccccc3)CC2)CCC[NH2+]1 ZINC000384078693 356682135 /nfs/dbraw/zinc/68/21/35/356682135.db2.gz UVKOPCRAQQGAHW-GOSISDBHSA-N 1 0 302.418 2.336 10 0 DEAERO c1cn([C@@H]2CCC[N@@H+](CCOCCOc3ccccc3)C2)nn1 ZINC000425497231 283209049 /nfs/dbraw/zinc/20/90/49/283209049.db2.gz CDZFEYOIMIGMCJ-MRXNPFEDSA-N 1 0 316.405 2.011 10 0 DEAERO CC1(C)CCC[C@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000400165420 356722810 /nfs/dbraw/zinc/72/28/10/356722810.db2.gz IWYUHCWUEWQWLB-KBPBESRZSA-N 1 0 302.484 2.359 10 0 DEAERO COc1cc(C[NH2+][C@H]2CO[C@@H](C)C2)cc(Br)c1O ZINC000402030761 356728549 /nfs/dbraw/zinc/72/85/49/356728549.db2.gz YUWZIYSAOPZMRM-WCBMZHEXSA-N 1 0 316.195 2.430 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@H](c2nc(C(C)(C)C)no2)C1 ZINC000409421981 356736405 /nfs/dbraw/zinc/73/64/05/356736405.db2.gz ATMLSTQVSUGTPB-MNOVXSKESA-N 1 0 324.425 2.419 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@@H](c2nc(C(C)(C)C)no2)C1 ZINC000409421982 356736603 /nfs/dbraw/zinc/73/66/03/356736603.db2.gz ATMLSTQVSUGTPB-QWRGUYRKSA-N 1 0 324.425 2.419 10 0 DEAERO CC[C@](C)(O)C[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000087028196 192613181 /nfs/dbraw/zinc/61/31/81/192613181.db2.gz GWJPOAPPJOJBQP-DOMZBBRYSA-N 1 0 301.814 2.139 10 0 DEAERO C(SC1CCCCC1)c1noc(CN2CCC[NH2+]CC2)n1 ZINC000087147560 192626606 /nfs/dbraw/zinc/62/66/06/192626606.db2.gz ODCOKNBJQCBGLQ-UHFFFAOYSA-N 1 0 310.467 2.431 10 0 DEAERO CC1(C)CC(NC(=O)NCCOCC2CCC2)CC(C)(C)[NH2+]1 ZINC000580020805 357065548 /nfs/dbraw/zinc/06/55/48/357065548.db2.gz OYMBWTMQARPINP-UHFFFAOYSA-N 1 0 311.470 2.412 10 0 DEAERO CC[C@@H](C)CN(C)S(=O)(=O)c1cc(C[NH3+])n(C(C)C)c1 ZINC000088952844 192667085 /nfs/dbraw/zinc/66/70/85/192667085.db2.gz HZEOUETUTBOYNT-GFCCVEGCSA-N 1 0 301.456 2.194 10 0 DEAERO C[C@H](NC(=O)c1cc(-c2cccnc2)on1)C1CC[NH+](C)CC1 ZINC000586765064 357366937 /nfs/dbraw/zinc/36/69/37/357366937.db2.gz JLOMPUJLCVPUGF-LBPRGKRZSA-N 1 0 314.389 2.197 10 0 DEAERO CC(=O)c1cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)n(C)c1 ZINC000589132934 357445822 /nfs/dbraw/zinc/44/58/22/357445822.db2.gz UEPXOKHINFFSQI-UHFFFAOYSA-N 1 0 309.329 2.061 10 0 DEAERO Cn1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000590717761 357591274 /nfs/dbraw/zinc/59/12/74/357591274.db2.gz XBPVERPJNLOSSL-OAHLLOKOSA-N 1 0 304.438 2.148 10 0 DEAERO CCSCC[C@@H](C)NC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000591612613 357742502 /nfs/dbraw/zinc/74/25/02/357742502.db2.gz HTJYXQZAYYRFOY-CYBMUJFWSA-N 1 0 302.484 2.041 10 0 DEAERO O=S1(=O)CCCN1CCC[NH2+]Cc1cccc2ccccc21 ZINC000591716922 357753355 /nfs/dbraw/zinc/75/33/55/357753355.db2.gz QWEKIOXXDPRZCK-UHFFFAOYSA-N 1 0 318.442 2.355 10 0 DEAERO CCn1nncc1CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000459366614 283299537 /nfs/dbraw/zinc/29/95/37/283299537.db2.gz BLCNNLYYCOWRGN-UHFFFAOYSA-N 1 0 313.449 2.394 10 0 DEAERO C[N@H+](Cc1cnn2ccccc12)[C@@H]1CCCN(c2cccnn2)C1 ZINC000179496720 199044873 /nfs/dbraw/zinc/04/48/73/199044873.db2.gz GAIYROZJRKUBIB-MRXNPFEDSA-N 1 0 322.416 2.225 10 0 DEAERO CC[C@@H]1CN(Cc2ccc3c[nH]nc3c2)CC[N@@H+]1CCOC ZINC000179512127 199048595 /nfs/dbraw/zinc/04/85/95/199048595.db2.gz LNEFHTWQJMMNIB-MRXNPFEDSA-N 1 0 302.422 2.106 10 0 DEAERO COc1ccc([C@H](C)C[N@@H+]2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000180084708 199115314 /nfs/dbraw/zinc/11/53/14/199115314.db2.gz QRVXRWLDQARHTO-OWCLPIDISA-N 1 0 306.450 2.186 10 0 DEAERO COc1ccccc1/C=C/C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000180230781 199134520 /nfs/dbraw/zinc/13/45/20/199134520.db2.gz IBXSGTSOJOZRRD-LVPXMUDFSA-N 1 0 316.445 2.361 10 0 DEAERO Cc1ncc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c(C)n1 ZINC000180415862 199156289 /nfs/dbraw/zinc/15/62/89/199156289.db2.gz NDEODUPAZZWNFK-UHFFFAOYSA-N 1 0 316.380 2.224 10 0 DEAERO CC[C@@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1cnn(C)c1 ZINC000180508193 199168761 /nfs/dbraw/zinc/16/87/61/199168761.db2.gz MLFOWRQBKFPXIR-ZIAGYGMSSA-N 1 0 302.426 2.191 10 0 DEAERO C[C@H](CNC(=O)N(C)[C@@H](C)c1cnn(C)c1)[NH+]1CCC(C)CC1 ZINC000180791000 199209467 /nfs/dbraw/zinc/20/94/67/199209467.db2.gz HQUNUAGKNYZUBH-CABCVRRESA-N 1 0 321.469 2.243 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H](C)c1cnn(C)c1 ZINC000180844362 199216853 /nfs/dbraw/zinc/21/68/53/199216853.db2.gz UKMQJUAXFSONNE-GDBMZVCRSA-N 1 0 321.469 2.243 10 0 DEAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(Cl)cn1 ZINC000180825799 199214085 /nfs/dbraw/zinc/21/40/85/199214085.db2.gz HVDVGBMPDZDRKK-GFCCVEGCSA-N 1 0 310.829 2.218 10 0 DEAERO O[C@@]1(c2ccc(Cl)cc2)N=CN[n+]2ccc3ccccc3c21 ZINC000005935149 181297746 /nfs/dbraw/zinc/29/77/46/181297746.db2.gz BHGKFSWHUYVRRH-QGZVFWFLSA-N 1 0 310.764 2.369 10 0 in-man DEAERO COCC[NH2+]C[C@H](C)CCc1c(Br)c(C)nn1C ZINC000089269729 192753814 /nfs/dbraw/zinc/75/38/14/192753814.db2.gz RRFLVPFMNRJUBI-SNVBAGLBSA-N 1 0 318.259 2.296 10 0 DEAERO CCn1nc(C)c(Br)c1CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000089282005 192758204 /nfs/dbraw/zinc/75/82/04/192758204.db2.gz ULVIVGIVYCSGLK-AOOOYVTPSA-N 1 0 315.259 2.156 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH3+])C1CCOCC1 ZINC000089297982 192760494 /nfs/dbraw/zinc/76/04/94/192760494.db2.gz QRPJCRZUNSFIEN-NSHDSACASA-N 1 0 316.243 2.270 10 0 DEAERO CCc1nn(CC)c(CN(C)[C@@H]2CC[NH2+]C2)c1Br ZINC000089353410 192772233 /nfs/dbraw/zinc/77/22/33/192772233.db2.gz SRSUCAIAQKMHMO-SNVBAGLBSA-N 1 0 315.259 2.022 10 0 DEAERO COc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1Br ZINC000089748931 192857202 /nfs/dbraw/zinc/85/72/02/192857202.db2.gz MNAUBTMYWVFUEH-SECBINFHSA-N 1 0 313.195 2.396 10 0 DEAERO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1nccs1 ZINC000187011181 200046937 /nfs/dbraw/zinc/04/69/37/200046937.db2.gz OHWJPBAWRLPPEP-JHJVBQTASA-N 1 0 310.467 2.371 10 0 DEAERO CCSc1cc(CNC(=O)N[C@@H]2CCC[N@H+](CC)C2)ccn1 ZINC000187068156 200056112 /nfs/dbraw/zinc/05/61/12/200056112.db2.gz SAGIFZXTLFUJEE-CQSZACIVSA-N 1 0 322.478 2.477 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(O)ccc2OC)[C@H](C)C1 ZINC000187297271 200090698 /nfs/dbraw/zinc/09/06/98/200090698.db2.gz PFKBKICYFVQVBK-IUODEOHRSA-N 1 0 306.406 2.203 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000187483142 200118261 /nfs/dbraw/zinc/11/82/61/200118261.db2.gz HYWLNAKERHACBX-IPYPFGDCSA-N 1 0 320.437 2.133 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)c1ccnc(F)c1F)c1ccccc1 ZINC000187658824 200140702 /nfs/dbraw/zinc/14/07/02/200140702.db2.gz HYWLDTQIMICMED-ZDUSSCGKSA-N 1 0 305.328 2.393 10 0 DEAERO COc1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)cc1NC(C)=O ZINC000187682873 200143948 /nfs/dbraw/zinc/14/39/48/200143948.db2.gz DUMPVKPRDJHWGM-HNHYXYPQSA-N 1 0 306.406 2.464 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000187922218 200176491 /nfs/dbraw/zinc/17/64/91/200176491.db2.gz JWLJULVQJXYUPI-CQSZACIVSA-N 1 0 309.385 2.070 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+]CCCNC(=O)c1cccs1 ZINC000188197210 200207240 /nfs/dbraw/zinc/20/72/40/200207240.db2.gz QRJWKFIMWDPADR-NSHDSACASA-N 1 0 304.419 2.317 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000188393097 200239533 /nfs/dbraw/zinc/23/95/33/200239533.db2.gz SFYWNFYBWMKWQI-QGZVFWFLSA-N 1 0 321.465 2.297 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc(COC)c1 ZINC000188350485 200232050 /nfs/dbraw/zinc/23/20/50/200232050.db2.gz GBWIHCDVJSLZKJ-ZWKOTPCHSA-N 1 0 316.445 2.461 10 0 DEAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1 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O=C(C[C@@H]1CSCC[NH2+]1)Nc1cc2c(cc1Cl)OCO2 ZINC000091134861 193000524 /nfs/dbraw/zinc/00/05/24/193000524.db2.gz PANRYCMDQDRHCZ-MRVPVSSYSA-N 1 0 314.794 2.102 10 0 DEAERO C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623897627 365213547 /nfs/dbraw/zinc/21/35/47/365213547.db2.gz QJVXBCKFNJLLPU-UHOSZYNNSA-N 1 0 318.461 2.171 10 0 DEAERO CCn1ncnc1C[C@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000091331586 193041224 /nfs/dbraw/zinc/04/12/24/193041224.db2.gz ZUYMQCACHYLDLT-NSHDSACASA-N 1 0 313.174 2.442 10 0 DEAERO CC(C)C[NH2+]Cc1cnn([C@@H]2CCS(=O)(=O)C2)c1C(C)C ZINC000091336130 193041887 /nfs/dbraw/zinc/04/18/87/193041887.db2.gz LGNNYSKIWKPKIE-CQSZACIVSA-N 1 0 313.467 2.112 10 0 DEAERO Cc1nn(-c2cncc(C[NH2+]C3CC3)n2)c(C)c1Br ZINC000091422255 193054336 /nfs/dbraw/zinc/05/43/36/193054336.db2.gz QOLNMMLMRGRGJO-UHFFFAOYSA-N 1 0 322.210 2.294 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H](O)C(C)(C)[NH+](C)C ZINC000091528147 193069955 /nfs/dbraw/zinc/06/99/55/193069955.db2.gz QZGBYQNHROXMAU-NSHDSACASA-N 1 0 318.259 2.218 10 0 DEAERO COc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1OC(F)F ZINC000091545409 193071809 /nfs/dbraw/zinc/07/18/09/193071809.db2.gz RQBAZEZOUYXEGU-IUCAKERBSA-N 1 0 300.305 2.363 10 0 DEAERO Cc1csc(C2CC[NH+]([C@H](C)CN3CCOCC3)CC2)n1 ZINC000091552711 193072926 /nfs/dbraw/zinc/07/29/26/193072926.db2.gz HRVSDOFKSFEGSP-CQSZACIVSA-N 1 0 309.479 2.352 10 0 DEAERO CC[C@@](C)([C@@H]([NH2+]C)c1cc(Cl)cnc1N)N1CCOCC1 ZINC000091612315 193079473 /nfs/dbraw/zinc/07/94/73/193079473.db2.gz PYGMOOMRUARWFY-ZFWWWQNUSA-N 1 0 312.845 2.079 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)[C@](C)(CC)N1CCCC1 ZINC000091607827 193079479 /nfs/dbraw/zinc/07/94/79/193079479.db2.gz NICIDWZDPLJKAX-HOTGVXAUSA-N 1 0 318.527 2.444 10 0 DEAERO COCC(COC)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000449541874 240652426 /nfs/dbraw/zinc/65/24/26/240652426.db2.gz LCRSQPKPPYUQJH-UHFFFAOYSA-N 1 0 309.406 2.393 10 0 DEAERO C[C@@](O)(C[NH3+])Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000091503756 193066276 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C[C@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)C[NH2+]1 ZINC000624406935 365413090 /nfs/dbraw/zinc/41/30/90/365413090.db2.gz PPVFKDIOMQKPJP-WCBMZHEXSA-N 1 0 323.245 2.412 10 0 DEAERO C[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)C[NH2+]1 ZINC000624406934 365413508 /nfs/dbraw/zinc/41/35/08/365413508.db2.gz PPVFKDIOMQKPJP-SCZZXKLOSA-N 1 0 323.245 2.412 10 0 DEAERO CNc1ccc(Cl)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000092023872 193143215 /nfs/dbraw/zinc/14/32/15/193143215.db2.gz XJYPALMRZQPWDC-MNOVXSKESA-N 1 0 308.813 2.085 10 0 DEAERO Cc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(C)c1 ZINC000092044872 193145821 /nfs/dbraw/zinc/14/58/21/193145821.db2.gz BZPUNDLOPYYMGE-KRWDZBQOSA-N 1 0 322.474 2.303 10 0 DEAERO COc1c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)nn1C ZINC000092066730 193152257 /nfs/dbraw/zinc/15/22/57/193152257.db2.gz IPBXHHZBYLBSBH-RHSMWYFYSA-N 1 0 318.465 2.186 10 0 DEAERO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC000630034596 367445559 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CC[NH2+]Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092113571 193161261 /nfs/dbraw/zinc/16/12/61/193161261.db2.gz ZJUKSJXEJSDAHX-KBPBESRZSA-N 1 0 310.463 2.381 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)c2ccccc2C[NH2+]C2CC2)C[C@H]1C ZINC000092113968 193161660 /nfs/dbraw/zinc/16/16/60/193161660.db2.gz RNQRKMXLHHWKOE-CHWSQXEVSA-N 1 0 308.447 2.215 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCCCCCC2)c(F)c1 ZINC000092115568 193163379 /nfs/dbraw/zinc/16/33/79/193163379.db2.gz FUHAOKZZNIYQGD-UHFFFAOYSA-N 1 0 314.426 2.500 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NC2CCCC2)c(F)c1 ZINC000092115810 193163431 /nfs/dbraw/zinc/16/34/31/193163431.db2.gz AQWNGMOJECMXTI-UHFFFAOYSA-N 1 0 300.399 2.156 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H](C)CC)c(F)c1 ZINC000092116108 193164000 /nfs/dbraw/zinc/16/40/00/193164000.db2.gz HWXHEXJMFMZOGP-NSHDSACASA-N 1 0 302.415 2.260 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)NC2CCC2)c(F)c1 ZINC000092116065 193164091 /nfs/dbraw/zinc/16/40/91/193164091.db2.gz 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C[NH2+][C@@H](Cc1c(Cl)cccc1Cl)[C@@H]1CN2CCN1CC2 ZINC000094509037 193376183 /nfs/dbraw/zinc/37/61/83/193376183.db2.gz XFTYKRDXUVTDOK-GJZGRUSLSA-N 1 0 314.260 2.124 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000094548610 193378223 /nfs/dbraw/zinc/37/82/23/193378223.db2.gz VIWKUXJODMVOTM-MFKMUULPSA-N 1 0 311.223 2.187 10 0 DEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)O1 ZINC000094564343 193380698 /nfs/dbraw/zinc/38/06/98/193380698.db2.gz QUBXFBLAKBXESO-WDEREUQCSA-N 1 0 304.268 2.030 10 0 DEAERO Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C[NH3+])O2)cc1Br ZINC000094571913 193381990 /nfs/dbraw/zinc/38/19/90/193381990.db2.gz OBDIUBJBHMLHGA-JQWIXIFHSA-N 1 0 313.195 2.202 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cccc(C(F)(F)F)c1N ZINC000094599127 193383126 /nfs/dbraw/zinc/38/31/26/193383126.db2.gz AMHUBOXFHKQKCP-UHFFFAOYSA-N 1 0 303.328 2.311 10 0 DEAERO CC[NH+](CC)CCNC(=O)c1cccc(C(F)(F)F)c1N ZINC000094598371 193383472 /nfs/dbraw/zinc/38/34/72/193383472.db2.gz BOOUWPJDGVYENF-UHFFFAOYSA-N 1 0 303.328 2.359 10 0 DEAERO C[NH+]1CCC(CNc2nc3c(Br)cccn3n2)CC1 ZINC000094604837 193383814 /nfs/dbraw/zinc/38/38/14/193383814.db2.gz XHNXKVOXVXTOHS-UHFFFAOYSA-N 1 0 324.226 2.246 10 0 DEAERO NC(=O)c1ccc(NC(=O)[C@H]2CCCCC[C@@H]2[NH3+])cc1Cl ZINC000094750868 193395607 /nfs/dbraw/zinc/39/56/07/193395607.db2.gz HGIOYZUNKPFQIN-AAEUAGOBSA-N 1 0 309.797 2.285 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@H]1C(=O)Nc1cnc(Br)cn1 ZINC000094754488 193395789 /nfs/dbraw/zinc/39/57/89/193395789.db2.gz ZVXQYMAFFGIJBQ-RKDXNWHRSA-N 1 0 313.199 2.085 10 0 DEAERO COc1ccc(CC[NH2+]CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000263928595 203641027 /nfs/dbraw/zinc/64/10/27/203641027.db2.gz SOUHTRXCTHPWCP-UHFFFAOYSA-N 1 0 324.380 2.124 10 0 DEAERO C[C@H](C1CC1)n1nccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000274917116 212031504 /nfs/dbraw/zinc/03/15/04/212031504.db2.gz LHRQFMKSYKEXPP-TZMCWYRMSA-N 1 0 303.410 2.166 10 0 DEAERO O=C(c1n[nH]c2c1CCCC2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107667207 296158624 /nfs/dbraw/zinc/15/86/24/296158624.db2.gz OSIXKYPTDJVRRK-CQSZACIVSA-N 1 0 316.449 2.379 10 0 DEAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453577280 245192501 /nfs/dbraw/zinc/19/25/01/245192501.db2.gz HIZYHSKWJVWUAB-SNVBAGLBSA-N 1 0 316.243 2.477 10 0 DEAERO C1CN(c2nnc(C3CCOCC3)s2)C[C@H]1[NH+]1CCCCC1 ZINC000338666492 404469993 /nfs/dbraw/zinc/46/99/93/404469993.db2.gz UJPDNQHXCFQYJO-AWEZNQCLSA-N 1 0 322.478 2.497 10 0 DEAERO CC(=O)c1ccc(NC(=O)CC[NH+]2CCC([C@H](C)O)CC2)cc1 ZINC000264714192 204095364 /nfs/dbraw/zinc/09/53/64/204095364.db2.gz LNQBFRGRDIHTSY-AWEZNQCLSA-N 1 0 318.417 2.311 10 0 DEAERO CC1=C/C(=C/CCC[N@H+]2CCC[C@@H]2[C@H]2C=C(C)C(=O)O2)OC1=O ZINC000014636767 181963656 /nfs/dbraw/zinc/96/36/56/181963656.db2.gz HSICZNIIIPFAAO-UPYRFZFASA-N 1 0 317.385 2.490 10 0 endogenous,in-man DEAERO C[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1cccc2ncccc21 ZINC000097343309 193709033 /nfs/dbraw/zinc/70/90/33/193709033.db2.gz RKNBLUXTHJNJMN-LRDDRELGSA-N 1 0 304.415 2.320 10 0 DEAERO CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000019535770 182129040 /nfs/dbraw/zinc/12/90/40/182129040.db2.gz BIJWWOJMKFFECN-SSDOTTSWSA-N 1 0 304.177 2.100 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000019766832 182144833 /nfs/dbraw/zinc/14/48/33/182144833.db2.gz OSMISCHVEGNKOU-SWLSCSKDSA-N 1 0 302.374 2.289 10 0 DEAERO [NH3+]C1CC(NC(=O)c2cccc(Br)c2Cl)C1 ZINC000160409112 197408630 /nfs/dbraw/zinc/40/86/30/197408630.db2.gz XKUWWLBZUSGHPJ-UHFFFAOYSA-N 1 0 303.587 2.322 10 0 DEAERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000020010531 182178144 /nfs/dbraw/zinc/17/81/44/182178144.db2.gz JJBAZRZNXQDCBM-ONGXEEELSA-N 1 0 323.336 2.423 10 0 DEAERO O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000020434011 182217028 /nfs/dbraw/zinc/21/70/28/182217028.db2.gz RAUWLOXWBXFHFD-GPXNAGAYSA-N 1 0 309.580 2.308 10 0 DEAERO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)o2)CCOC1 ZINC000160086284 197384383 /nfs/dbraw/zinc/38/43/83/197384383.db2.gz WZEPHUOBSUQNJI-JOYOIKCWSA-N 1 0 304.184 2.498 10 0 DEAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC1CCCCCC1 ZINC000454826834 246178033 /nfs/dbraw/zinc/17/80/33/246178033.db2.gz ZFELOGJAQUNOSF-INIZCTEOSA-N 1 0 324.513 2.282 10 0 DEAERO CCc1cc(C(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)oc1CC ZINC000158118032 291637946 /nfs/dbraw/zinc/63/79/46/291637946.db2.gz DJEBMNPSNYVRTN-CQSZACIVSA-N 1 0 321.465 2.160 10 0 DEAERO Clc1ccc(CSc2nnnn2C[C@H]2CCC[NH2+]2)cc1 ZINC000038342194 182998249 /nfs/dbraw/zinc/99/82/49/182998249.db2.gz JCEGBHVPQLJJQT-GFCCVEGCSA-N 1 0 309.826 2.371 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)N(C)Cc2cccc(Cl)c2Cl)C1 ZINC000040634564 183112715 /nfs/dbraw/zinc/11/27/15/183112715.db2.gz JECSNQBFTYERDV-PWSUYJOCSA-N 1 0 317.216 2.329 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C)cc2Br)C1 ZINC000040629747 183110444 /nfs/dbraw/zinc/11/04/44/183110444.db2.gz KLWSIRSZASJVAD-SKDRFNHKSA-N 1 0 313.195 2.073 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000040776908 183132329 /nfs/dbraw/zinc/13/23/29/183132329.db2.gz FBIJVRAGHSLMPH-STQMWFEESA-N 1 0 301.814 2.076 10 0 DEAERO CN(c1ncnc(Oc2ccccc2)c1N)C1CC[NH+](C)CC1 ZINC000040796119 183135361 /nfs/dbraw/zinc/13/53/61/183135361.db2.gz SKYLCIPTONZAFW-UHFFFAOYSA-N 1 0 313.405 2.382 10 0 DEAERO [NH3+][C@H]1CCCC[C@@H]1N1C(=O)c2ccc(Br)cc2C1=O ZINC000041158124 183179195 /nfs/dbraw/zinc/17/91/95/183179195.db2.gz DTDOATFAYNHSLJ-RYUDHWBXSA-N 1 0 323.190 2.315 10 0 DEAERO OC[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(Br)s1 ZINC000041703006 183218519 /nfs/dbraw/zinc/21/85/19/183218519.db2.gz WVBWCCWHGDATHO-BDAKNGLRSA-N 1 0 306.225 2.313 10 0 DEAERO CC(=O)c1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)n(C)c1 ZINC000041999256 183227856 /nfs/dbraw/zinc/22/78/56/183227856.db2.gz UQSJKDITENKBJL-MRXNPFEDSA-N 1 0 313.401 2.260 10 0 DEAERO OC[C@H]([NH2+]C[C@H]1CCCO1)c1cc(Br)cs1 ZINC000041678626 183216135 /nfs/dbraw/zinc/21/61/35/183216135.db2.gz PBOSYOJBHUIVMQ-ZJUUUORDSA-N 1 0 306.225 2.313 10 0 DEAERO Brc1ccc(OCC[NH2+]CCn2ccnc2)cc1 ZINC000042225171 183244732 /nfs/dbraw/zinc/24/47/32/183244732.db2.gz KPDJCMWUSGCSOL-UHFFFAOYSA-N 1 0 310.195 2.314 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000042255436 183247713 /nfs/dbraw/zinc/24/77/13/183247713.db2.gz XVSIDGKUASSCNF-UHFFFAOYSA-N 1 0 312.211 2.010 10 0 DEAERO O=C(N1CCCSCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000042327275 183254449 /nfs/dbraw/zinc/25/44/49/183254449.db2.gz QKSZGFXXXBKORL-UHFFFAOYSA-N 1 0 304.459 2.273 10 0 DEAERO CC(C)N(C)C(=O)COc1c(Br)cccc1C[NH3+] ZINC000042411392 183264946 /nfs/dbraw/zinc/26/49/46/183264946.db2.gz JOSKIBPBGNDNBM-UHFFFAOYSA-N 1 0 315.211 2.153 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](CN(C)Cc2ccccc2Br)C1 ZINC000042441297 183270017 /nfs/dbraw/zinc/27/00/17/183270017.db2.gz QBMVTXMHQWYLSE-STQMWFEESA-N 1 0 313.239 2.258 10 0 DEAERO CCN(C[C@@H](C)C[NH3+])C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000042441497 183270513 /nfs/dbraw/zinc/27/05/13/183270513.db2.gz HSSSEGVWSHLAHG-LURJTMIESA-N 1 0 310.266 2.439 10 0 DEAERO CCN(C[C@H](C)C[NH3+])c1ccccc1S(=O)(=O)C(F)(F)F ZINC000042442251 183270953 /nfs/dbraw/zinc/27/09/53/183270953.db2.gz QROCBUCJTGRHRL-SNVBAGLBSA-N 1 0 324.368 2.401 10 0 DEAERO CC(C)[N@H+](CCCO)[C@H](C)C(=O)Nc1cc(Cl)ccc1N ZINC000042482942 183275467 /nfs/dbraw/zinc/27/54/67/183275467.db2.gz HHBOLOIKNCAKTC-LLVKDONJSA-N 1 0 313.829 2.342 10 0 DEAERO CC[N@H+](CCCOc1ccccc1C(N)=S)[C@H](C)COC ZINC000042765873 183305908 /nfs/dbraw/zinc/30/59/08/183305908.db2.gz FIPDMBIXQXNBQO-CYBMUJFWSA-N 1 0 310.463 2.447 10 0 DEAERO COCCN([C@H](C)COC)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000042603301 183290232 /nfs/dbraw/zinc/29/02/32/183290232.db2.gz JJILAJRHQRQQFB-RISCZKNCSA-N 1 0 318.820 2.462 10 0 DEAERO C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000042610558 183291462 /nfs/dbraw/zinc/29/14/62/183291462.db2.gz JCRWQXSURMWQHR-KKUMJFAQSA-N 1 0 302.484 2.359 10 0 DEAERO CS(=O)(=O)c1cccc(O[C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000042942557 183319473 /nfs/dbraw/zinc/31/94/73/183319473.db2.gz DDYNZLZCBBALMH-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCS(=O)CC1 ZINC000043015652 183327561 /nfs/dbraw/zinc/32/75/61/183327561.db2.gz NBUFDNBGRTVMIK-UONOGXRCSA-N 1 0 300.855 2.183 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCC(O)CC1 ZINC000043019949 183328418 /nfs/dbraw/zinc/32/84/18/183328418.db2.gz SDGIQWNOWANVPY-HZMBPMFUSA-N 1 0 313.239 2.294 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CCO ZINC000043021013 183329427 /nfs/dbraw/zinc/32/94/27/183329427.db2.gz QIXXUEGVJNZVTH-OLZOCXBDSA-N 1 0 301.228 2.152 10 0 DEAERO CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000042782474 183309194 /nfs/dbraw/zinc/30/91/94/183309194.db2.gz SXRZNEYDQBNVDL-UHFFFAOYSA-N 1 0 316.370 2.170 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCC(C(N)=O)CC1 ZINC000043252034 183347193 /nfs/dbraw/zinc/34/71/93/183347193.db2.gz BDVOAWLGFYZXEA-ZWNOBZJWSA-N 1 0 315.870 2.377 10 0 DEAERO CC(C)N(CCO)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000043262721 183348974 /nfs/dbraw/zinc/34/89/74/183348974.db2.gz DKNCBPTVKCCKBL-VIFPVBQESA-N 1 0 307.257 2.213 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(CCO)C1CC1 ZINC000043262753 183349165 /nfs/dbraw/zinc/34/91/65/183349165.db2.gz HHBKVKQXDBDIJW-QPUJVOFHSA-N 1 0 319.268 2.356 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CCC[C@@H]1CO ZINC000043286379 183350375 /nfs/dbraw/zinc/35/03/75/183350375.db2.gz UIPKCNWWYZFGEY-XRNSZHNASA-N 1 0 319.268 2.356 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCC(O)CC1 ZINC000043284554 183350801 /nfs/dbraw/zinc/35/08/01/183350801.db2.gz MLEHQINHMFWOSH-PRHODGIISA-N 1 0 319.268 2.356 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CCOCC1 ZINC000043284351 183350923 /nfs/dbraw/zinc/35/09/23/183350923.db2.gz IVFYRNSAYKRKLU-KCJUWKMLSA-N 1 0 305.241 2.231 10 0 DEAERO CCCc1cc(=O)[nH]c(S[C@H]([C@@H]([NH3+])CC)C(F)(F)F)n1 ZINC000043385741 183358252 /nfs/dbraw/zinc/35/82/52/183358252.db2.gz MDOZHZWDWARSLK-WCBMZHEXSA-N 1 0 309.357 2.483 10 0 DEAERO CC[C@H]([NH3+])[C@H](Oc1ccc(S(C)(=O)=O)cc1)C(F)(F)F ZINC000043385207 183358419 /nfs/dbraw/zinc/35/84/19/183358419.db2.gz WJGSMWSWCUCONZ-QWRGUYRKSA-N 1 0 311.325 2.137 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1Cl ZINC000043090161 183335028 /nfs/dbraw/zinc/33/50/28/183335028.db2.gz ZKXPKFHBOABTDG-JVXZTZIISA-N 1 0 310.810 2.186 10 0 DEAERO CC(C)OC(=O)COc1c(Br)cccc1C[NH3+] ZINC000043446066 183364149 /nfs/dbraw/zinc/36/41/49/183364149.db2.gz CJJKMNCLHIRZCY-UHFFFAOYSA-N 1 0 302.168 2.238 10 0 DEAERO CCCCCNC(=O)[C@H](C)[N@H+](CCC(N)=S)CC(C)C ZINC000043418426 183361242 /nfs/dbraw/zinc/36/12/42/183361242.db2.gz YRRBUYXDYYCTHS-ZDUSSCGKSA-N 1 0 301.500 2.316 10 0 DEAERO Cn1cc(Cl)cc1-c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000274126056 211377365 /nfs/dbraw/zinc/37/73/65/211377365.db2.gz WWWTVICTPVTXIS-ZYHUDNBSSA-N 1 0 308.769 2.264 10 0 DEAERO C[C@@H](C[NH2+]Cc1cc(Br)ccc1F)[S@@](C)=O ZINC000159799995 197365126 /nfs/dbraw/zinc/36/51/26/197365126.db2.gz UNVIZYRYJVAGSJ-PWJLMRLQSA-N 1 0 308.216 2.445 10 0 DEAERO CC(C)Oc1cccc(/C=C2/SC(=O)N(CC[NH3+])C2=O)c1 ZINC000103881453 193963516 /nfs/dbraw/zinc/96/35/16/193963516.db2.gz QNJVGHYNGCJDPG-UKTHLTGXSA-N 1 0 306.387 2.469 10 0 DEAERO Cc1nc(C)c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)s1 ZINC000273967258 211222566 /nfs/dbraw/zinc/22/25/66/211222566.db2.gz LEPNSMDBMUUYOD-MNOVXSKESA-N 1 0 306.391 2.346 10 0 DEAERO CCOc1cc(C[N@@H+]2C[C@@H](OC)C[C@H]2COC)ccc1OC ZINC000284643771 218113778 /nfs/dbraw/zinc/11/37/78/218113778.db2.gz UQWLAAWFYMNBPF-GJZGRUSLSA-N 1 0 309.406 2.330 10 0 DEAERO CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000104983576 194061517 /nfs/dbraw/zinc/06/15/17/194061517.db2.gz ZNHCJDJIWREUGR-INIZCTEOSA-N 1 0 316.405 2.347 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(CCCOCCc2ccccc2)C[C@H]1C ZINC000105824121 194138518 /nfs/dbraw/zinc/13/85/18/194138518.db2.gz FGSJYOCPKLIZSB-QZTJIDSGSA-N 1 0 320.477 2.023 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC000105820766 194135913 /nfs/dbraw/zinc/13/59/13/194135913.db2.gz XVWTVQQHZATTCC-HUUCEWRRSA-N 1 0 315.417 2.229 10 0 DEAERO FC(F)SCc1ccc(C[NH2+][C@H]2CCc3ncnn3C2)o1 ZINC000105906382 194166700 /nfs/dbraw/zinc/16/67/00/194166700.db2.gz OPOAWYWKEZZUHF-VIFPVBQESA-N 1 0 314.361 2.432 10 0 DEAERO CCCCOC(=O)CC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105909760 194167336 /nfs/dbraw/zinc/16/73/36/194167336.db2.gz CXQVQDVEGUXXDU-HNNXBMFYSA-N 1 0 320.437 2.111 10 0 DEAERO CC[C@H]1CN(Cc2ccc(OC)c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000106104137 194184952 /nfs/dbraw/zinc/18/49/52/194184952.db2.gz AOZAPRVCUUATBY-HIFRSBDPSA-N 1 0 310.413 2.111 10 0 DEAERO C[C@H](NC(=O)CSC(N)=[NH2+])c1ccc(Br)cc1 ZINC000106094776 194185530 /nfs/dbraw/zinc/18/55/30/194185530.db2.gz OVYLVZXCXYVXLO-ZETCQYMHSA-N 1 0 316.224 2.253 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(F)cc2Cl)C[C@H]1C ZINC000106100773 194185939 /nfs/dbraw/zinc/18/59/39/194185939.db2.gz SOOVVUNKMJXQKC-VXGBXAGGSA-N 1 0 300.805 2.366 10 0 DEAERO CCc1cccc(OCCN2CC[N@H+](CCOC)[C@H](C)C2)c1 ZINC000106109135 194187974 /nfs/dbraw/zinc/18/79/74/194187974.db2.gz SGEOZGLFZSVPBM-MRXNPFEDSA-N 1 0 306.450 2.280 10 0 DEAERO CC(C)COCCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106427579 194212255 /nfs/dbraw/zinc/21/22/55/194212255.db2.gz HHMBGEXGNPJSDB-QGZVFWFLSA-N 1 0 306.450 2.338 10 0 DEAERO CCCN(CCS(=O)(=O)CC)C1(C[NH3+])CCC(C)CC1 ZINC000050088691 183771912 /nfs/dbraw/zinc/77/19/12/183771912.db2.gz UPWQTIOXMBCXAD-UHFFFAOYSA-N 1 0 304.500 2.041 10 0 DEAERO C[C@@H]([NH2+]CCc1nncn1C)c1ccc(Br)cc1 ZINC000109421018 194262880 /nfs/dbraw/zinc/26/28/80/194262880.db2.gz ZRUFXJYIRZOGAZ-SNVBAGLBSA-N 1 0 309.211 2.471 10 0 DEAERO [NH3+]Cc1cc(Br)cnc1OC[C@@H]1CCCCO1 ZINC000051524361 183828681 /nfs/dbraw/zinc/82/86/81/183828681.db2.gz KBBVXLKATPBORF-NSHDSACASA-N 1 0 301.184 2.251 10 0 DEAERO NC(=S)c1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000052061750 183849184 /nfs/dbraw/zinc/84/91/84/183849184.db2.gz MTRRCQOWKHCPMI-UHFFFAOYSA-N 1 0 303.475 2.381 10 0 DEAERO CC[NH2+]C[C@H](CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000052950613 183881567 /nfs/dbraw/zinc/88/15/67/183881567.db2.gz OSSQRIGQRCYVOV-STQMWFEESA-N 1 0 316.492 2.045 10 0 DEAERO CC(C)C[NH2+]C[C@@H](CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052952281 183881804 /nfs/dbraw/zinc/88/18/04/183881804.db2.gz QUIPENNOROGLSB-HUUCEWRRSA-N 1 0 305.484 2.098 10 0 DEAERO CN(c1cc(NN)[nH+]c(-c2ccccc2)n1)[C@@H]1CCSC1 ZINC000159313484 197345343 /nfs/dbraw/zinc/34/53/43/197345343.db2.gz NWXQIJYFOJQQLP-GFCCVEGCSA-N 1 0 301.419 2.371 10 0 DEAERO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000110792432 194359396 /nfs/dbraw/zinc/35/93/96/194359396.db2.gz SMGDJHKHIZJVBU-NSHDSACASA-N 1 0 302.827 2.008 10 0 DEAERO CCN(CC(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000110943904 194371902 /nfs/dbraw/zinc/37/19/02/194371902.db2.gz FRTHRUMLMOOSAG-LBPRGKRZSA-N 1 0 313.804 2.492 10 0 DEAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(CC)s1 ZINC000110942233 194371951 /nfs/dbraw/zinc/37/19/51/194371951.db2.gz KYBPJCRHDDSPNM-GFCCVEGCSA-N 1 0 316.492 2.463 10 0 DEAERO CCOCC[N@H+](CC)CCCC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000111121805 194391642 /nfs/dbraw/zinc/39/16/42/194391642.db2.gz YUPTYIJQDZSDKJ-INIZCTEOSA-N 1 0 302.459 2.356 10 0 DEAERO CCOCC[N@H+](CC)CCOc1ccc(CC(N)=S)cc1 ZINC000111119381 194392109 /nfs/dbraw/zinc/39/21/09/194392109.db2.gz QAUWUGWPIMMCOO-UHFFFAOYSA-N 1 0 310.463 2.252 10 0 DEAERO c1ccc(CCc2nc3c(c(N4CC[NH2+]CC4)n2)CCC3)cc1 ZINC000057328718 184033594 /nfs/dbraw/zinc/03/35/94/184033594.db2.gz WIXILZIAICRLKJ-UHFFFAOYSA-N 1 0 308.429 2.160 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2c2cccn2C)C1 ZINC000057870672 184059833 /nfs/dbraw/zinc/05/98/33/184059833.db2.gz SYXDYXDBBBWGAP-GDBMZVCRSA-N 1 0 304.438 2.356 10 0 DEAERO COc1ccc2c(c1)CCN2C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000060536019 184151449 /nfs/dbraw/zinc/15/14/49/184151449.db2.gz RLCOTBYMZNNXRK-UHFFFAOYSA-N 1 0 315.417 2.394 10 0 DEAERO CC[NH+](CC)CCCNc1nc(Cl)nc(OC(C)C)n1 ZINC000061536591 184172503 /nfs/dbraw/zinc/17/25/03/184172503.db2.gz ZDMUHPOODDYPJN-UHFFFAOYSA-N 1 0 301.822 2.456 10 0 DEAERO CC(C)n1c(S[C@H](c2ccccc2F)[C@H](C)[NH3+])n[nH]c1=O ZINC000061595228 184176602 /nfs/dbraw/zinc/17/66/02/184176602.db2.gz QJEVBUYMDWAIQW-CABZTGNLSA-N 1 0 310.398 2.472 10 0 DEAERO CCOc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1OC ZINC000061605514 184177112 /nfs/dbraw/zinc/17/71/12/184177112.db2.gz YZTUHCZIBBDURO-UHFFFAOYSA-N 1 0 318.417 2.404 10 0 DEAERO NC(=[NH2+])c1cc(Sc2nnc(C3CC3)n2C2CC2)ccn1 ZINC000061814680 184188450 /nfs/dbraw/zinc/18/84/50/184188450.db2.gz UAFZQGYCRJSACE-UHFFFAOYSA-N 1 0 300.391 2.321 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCN(CC(F)(F)F)CC1 ZINC000061940816 184197564 /nfs/dbraw/zinc/19/75/64/184197564.db2.gz XIHDFPNLJCJDIR-DGCLKSJQSA-N 1 0 305.344 2.238 10 0 DEAERO CC[NH2+]CCS(=O)(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062010847 184200949 /nfs/dbraw/zinc/20/09/49/184200949.db2.gz CABZJFFKJKNFMU-NSHDSACASA-N 1 0 304.843 2.272 10 0 DEAERO C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000062010842 184200963 /nfs/dbraw/zinc/20/09/63/184200963.db2.gz VBGZKCKIXJSJTK-RISCZKNCSA-N 1 0 316.854 2.415 10 0 DEAERO C[C@H](c1ccccc1F)N(C)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000062027845 184202247 /nfs/dbraw/zinc/20/22/47/184202247.db2.gz ZDEIQDNAOGFRLG-OLZOCXBDSA-N 1 0 314.426 2.290 10 0 DEAERO C[C@@H](CN1C(=S)N=NC1c1ccccn1)C[NH+]1CCCC1 ZINC000062079507 184204529 /nfs/dbraw/zinc/20/45/29/184204529.db2.gz FRZCMBTVXMNFFX-GFCCVEGCSA-N 1 0 303.435 2.361 10 0 DEAERO COC(=O)CC[C@H]([NH3+])Cc1cc(Br)ccc1OC ZINC000061893217 184192892 /nfs/dbraw/zinc/19/28/92/184192892.db2.gz YBDKTIXRKNOTHJ-NSHDSACASA-N 1 0 316.195 2.281 10 0 DEAERO CC(C)(C)C[NH+]1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000062455775 184237095 /nfs/dbraw/zinc/23/70/95/184237095.db2.gz OPAMFIWOTRKQNN-UHFFFAOYSA-N 1 0 304.438 2.092 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000062347630 184231497 /nfs/dbraw/zinc/23/14/97/184231497.db2.gz GSCNPROCDFMMOQ-GJZGRUSLSA-N 1 0 323.481 2.014 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1c1ccccc1 ZINC000062347795 184231561 /nfs/dbraw/zinc/23/15/61/184231561.db2.gz NMDPSBMINAYHKE-GOEBONIOSA-N 1 0 317.433 2.029 10 0 DEAERO COCC[NH2+]Cc1cc(Cl)c(OCCOC)c(OC)c1 ZINC000062727862 184250819 /nfs/dbraw/zinc/25/08/19/184250819.db2.gz RXPCEMVFPJTQSW-UHFFFAOYSA-N 1 0 303.786 2.110 10 0 DEAERO CC(C)n1c(Sc2cc(Cl)ccc2C(N)=[NH2+])n[nH]c1=O ZINC000062789279 184253236 /nfs/dbraw/zinc/25/32/36/184253236.db2.gz DLRREJDTABEEJZ-UHFFFAOYSA-N 1 0 311.798 2.241 10 0 DEAERO CN(CCC(N)=S)C(=O)CC[NH+]1CCC2(CCCC2)CC1 ZINC000062953965 184261653 /nfs/dbraw/zinc/26/16/53/184261653.db2.gz HEFHEUDJURERPT-UHFFFAOYSA-N 1 0 311.495 2.167 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)NCc1ccccc1Cl ZINC000063195173 184277996 /nfs/dbraw/zinc/27/79/96/184277996.db2.gz MVKJCBLZZNBNCZ-WFASDCNBSA-N 1 0 309.841 2.158 10 0 DEAERO CN(C)S(=O)(=O)c1ccccc1N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063214824 184279080 /nfs/dbraw/zinc/27/90/80/184279080.db2.gz YBXBFFZVIPAJNQ-OLZOCXBDSA-N 1 0 311.451 2.009 10 0 DEAERO C[NH2+]Cc1c(OCCCS(C)(=O)=O)ccc2ccccc21 ZINC000063014405 184266396 /nfs/dbraw/zinc/26/63/96/184266396.db2.gz ISTNVBTZFKMXBY-UHFFFAOYSA-N 1 0 307.415 2.373 10 0 DEAERO C[C@@H]([NH3+])[C@@H](Sc1ccc(S(C)(=O)=O)cc1)C(F)(F)F ZINC000063131285 184272150 /nfs/dbraw/zinc/27/21/50/184272150.db2.gz PHLOCQCRPFJBNT-GMSGAONNSA-N 1 0 313.366 2.460 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1Br ZINC000063174171 184276101 /nfs/dbraw/zinc/27/61/01/184276101.db2.gz SEOLCUFNXVZXGK-WDEREUQCSA-N 1 0 301.159 2.198 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000063176013 184276848 /nfs/dbraw/zinc/27/68/48/184276848.db2.gz OVHOBPUVVMNWEX-UWVGGRQHSA-N 1 0 309.218 2.152 10 0 DEAERO C[C@H](C(=O)N1CCC([NH+](C)C)CC1)n1cnc2ccccc21 ZINC000063734952 184287335 /nfs/dbraw/zinc/28/73/35/184287335.db2.gz BQCFIPQHUBOEIC-CYBMUJFWSA-N 1 0 300.406 2.150 10 0 DEAERO COC[C@H](C)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000189807136 335045650 /nfs/dbraw/zinc/04/56/50/335045650.db2.gz ZGMWGBCJVZLVJQ-OAHLLOKOSA-N 1 0 322.424 2.185 10 0 DEAERO CCn1cc(CN(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)c(C)n1 ZINC000065458560 184348335 /nfs/dbraw/zinc/34/83/35/184348335.db2.gz PTZZNIOSRVZEQP-INIZCTEOSA-N 1 0 306.454 2.434 10 0 DEAERO CCn1cc(CN(C)C(=O)CC[C@H]2CCCC[N@@H+]2C)c(C)n1 ZINC000065458563 184348401 /nfs/dbraw/zinc/34/84/01/184348401.db2.gz PTZZNIOSRVZEQP-MRXNPFEDSA-N 1 0 306.454 2.434 10 0 DEAERO CC(C)COc1ccccc1CN1CCN(CCC[NH3+])CC1 ZINC000066143153 184392712 /nfs/dbraw/zinc/39/27/12/184392712.db2.gz ZOQWWORSMADMME-UHFFFAOYSA-N 1 0 305.466 2.188 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2NC(=O)C(C)(C)C)C1 ZINC000112897475 194533272 /nfs/dbraw/zinc/53/32/72/194533272.db2.gz BIJJHXYLBCCFPE-CYBMUJFWSA-N 1 0 317.433 2.447 10 0 DEAERO CN(CCc1ccccc1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000113389781 194586186 /nfs/dbraw/zinc/58/61/86/194586186.db2.gz WRQINBFRMZNQGQ-AWEZNQCLSA-N 1 0 300.324 2.230 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2F)CCO1 ZINC000118790858 194925732 /nfs/dbraw/zinc/92/57/32/194925732.db2.gz SDWDHQDFLWKONY-LLVKDONJSA-N 1 0 315.776 2.273 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cnccn1 ZINC000119964721 195070358 /nfs/dbraw/zinc/07/03/58/195070358.db2.gz LXYUWPINRHLQRI-NWDGAFQWSA-N 1 0 303.797 2.455 10 0 DEAERO C[NH+](C)CCn1ccc(NC(=O)c2cccc3ncccc32)n1 ZINC000120030703 195083473 /nfs/dbraw/zinc/08/34/73/195083473.db2.gz AJELERZYIMKPTP-UHFFFAOYSA-N 1 0 309.373 2.245 10 0 DEAERO Cc1scc(C(=O)NCCCC[NH+]2CCN(C)CC2)c1C ZINC000539111995 285069659 /nfs/dbraw/zinc/06/96/59/285069659.db2.gz CPNMWQJJKOCVEY-UHFFFAOYSA-N 1 0 309.479 2.122 10 0 DEAERO c1nc(N2CCCC2)ncc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000539893986 285098695 /nfs/dbraw/zinc/09/86/95/285098695.db2.gz FGHLSVQITHZTID-IAGOWNOFSA-N 1 0 316.449 2.325 10 0 DEAERO c1nc(N2CCCC2)ncc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000539893989 285098875 /nfs/dbraw/zinc/09/88/75/285098875.db2.gz FGHLSVQITHZTID-SJORKVTESA-N 1 0 316.449 2.325 10 0 DEAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC000540157920 285111543 /nfs/dbraw/zinc/11/15/43/285111543.db2.gz OPACUKRYSOMCEQ-ZIAGYGMSSA-N 1 0 305.422 2.458 10 0 DEAERO CC[C@@H]1CN(C2CCS(=O)CC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000159202271 197335518 /nfs/dbraw/zinc/33/55/18/197335518.db2.gz JTUCHYWWWQVWOB-BAQZJKQNSA-N 1 0 306.475 2.323 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)CC2)cc(C[NH3+])c1F ZINC000159116406 197328663 /nfs/dbraw/zinc/32/86/63/197328663.db2.gz VQDCVTDIJLVBLP-LLVKDONJSA-N 1 0 314.426 2.404 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCCC2(C)C)cc(C)c1F ZINC000159114910 197328440 /nfs/dbraw/zinc/32/84/40/197328440.db2.gz IMTUCDDXMYPRKF-UHFFFAOYSA-N 1 0 314.426 2.417 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000159101061 197327729 /nfs/dbraw/zinc/32/77/29/197327729.db2.gz OKWXLBGSDIHWBD-JTQLQIEISA-N 1 0 316.785 2.050 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]1CSCCS1 ZINC000159029186 197321250 /nfs/dbraw/zinc/32/12/50/197321250.db2.gz PCLZBPXAJVREIM-MGPQQGTHSA-N 1 0 314.520 2.310 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NCc2ncoc2C)CC1 ZINC000540413764 285116612 /nfs/dbraw/zinc/11/66/12/285116612.db2.gz PNZIWGNTSOLZPT-UHFFFAOYSA-N 1 0 308.426 2.246 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@H](C)C2)cc(C[NH3+])c1F ZINC000159052025 197322274 /nfs/dbraw/zinc/32/22/74/197322274.db2.gz QDQJGKDKWRRIBR-JTQLQIEISA-N 1 0 300.399 2.013 10 0 DEAERO CCC[NH2+][C@@H]1CCN(c2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000158938312 197312826 /nfs/dbraw/zinc/31/28/26/197312826.db2.gz ZWUKNDCGLPUEOS-ZCFIWIBFSA-N 1 0 308.250 2.487 10 0 DEAERO Cc1c(C(=O)N(C)CCC[NH+](C)C)cnn1-c1ccccc1 ZINC000540515022 285119438 /nfs/dbraw/zinc/11/94/38/285119438.db2.gz SHLOSGRZKYOBKO-UHFFFAOYSA-N 1 0 300.406 2.204 10 0 DEAERO CC[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(N)=[NH2+] ZINC000159036154 197321093 /nfs/dbraw/zinc/32/10/93/197321093.db2.gz KVDKUOIUXCGMHG-VIFPVBQESA-N 1 0 304.272 2.421 10 0 DEAERO CCCNc1nc(SCC[NH+](CC)CC)nc(N(C)C)n1 ZINC000159028343 197319896 /nfs/dbraw/zinc/31/98/96/197319896.db2.gz BMXWKKAPJMYIDJ-UHFFFAOYSA-N 1 0 312.487 2.193 10 0 DEAERO CC[C@H]([NH3+])Cc1cnc(Sc2nc(C)cc(=O)[nH]2)c(C)c1 ZINC000158960796 197313774 /nfs/dbraw/zinc/31/37/74/197313774.db2.gz WCAAXNVWWCCWOF-LBPRGKRZSA-N 1 0 304.419 2.213 10 0 DEAERO CCO[C@@H](C[NH3+])CC[S@](=O)c1ccc(Br)cc1 ZINC000158819923 197303621 /nfs/dbraw/zinc/30/36/21/197303621.db2.gz DSBXOIGOAAUQCD-PIGZYNQJSA-N 1 0 320.252 2.311 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)N2CCCOc3ccccc32)s1 ZINC000158708780 197296014 /nfs/dbraw/zinc/29/60/14/197296014.db2.gz JVVWOITUNLWUDJ-UHFFFAOYSA-N 1 0 324.427 2.185 10 0 DEAERO [NH3+][C@@H](CSc1ncccc1Br)[C@H]1CCOC1 ZINC000158783575 197300877 /nfs/dbraw/zinc/30/08/77/197300877.db2.gz YPCKJABADLIGJX-WPRPVWTQSA-N 1 0 303.225 2.300 10 0 DEAERO COc1cnn(CC[NH+](C)C)c1[C@H](O)c1cc(C)c(C)s1 ZINC000158754300 197299325 /nfs/dbraw/zinc/29/93/25/197299325.db2.gz XEMORUDEGCXKFC-OAHLLOKOSA-N 1 0 309.435 2.213 10 0 DEAERO S=C1N=NC(c2ccccn2)N1[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158573337 197285096 /nfs/dbraw/zinc/28/50/96/197285096.db2.gz BZLXAOCSQAMHCK-NEPJUHHUSA-N 1 0 301.419 2.428 10 0 DEAERO S=C1N=NC(c2ccccn2)N1[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158573186 197284286 /nfs/dbraw/zinc/28/42/86/197284286.db2.gz BZLXAOCSQAMHCK-VXGBXAGGSA-N 1 0 301.419 2.428 10 0 DEAERO COc1cc([C@@H]2C[C@H]([NH3+])[C@@H]2C)ccc1S(=O)(=O)C(F)F ZINC000158563904 197283786 /nfs/dbraw/zinc/28/37/86/197283786.db2.gz JKGOKDZOQDZLEH-QNSHHTMESA-N 1 0 305.346 2.142 10 0 DEAERO C[C@@H]1OCC[C@@H]1N(C)[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000158553298 197282337 /nfs/dbraw/zinc/28/23/37/197282337.db2.gz UNKRSAJQAOODBA-BPNCWPANSA-N 1 0 300.349 2.397 10 0 DEAERO CC(C)Oc1cncc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000158446760 197273376 /nfs/dbraw/zinc/27/33/76/197273376.db2.gz OFERCINPTFGVCE-ZFWWWQNUSA-N 1 0 305.422 2.424 10 0 DEAERO COC(=O)[C@H](C)n1c(N)[nH+]c2cc(F)c(Br)cc21 ZINC000158393329 197268118 /nfs/dbraw/zinc/26/81/18/197268118.db2.gz MREWMIWLZKUUCJ-YFKPBYRVSA-N 1 0 316.130 2.254 10 0 DEAERO CC(C)(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000158237981 197255680 /nfs/dbraw/zinc/25/56/80/197255680.db2.gz XGBRDLBRKKFTNB-DCAQKATOSA-N 1 0 310.360 2.366 10 0 DEAERO C[C@@H]1OCC[C@@H]1[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1N ZINC000158153622 197248835 /nfs/dbraw/zinc/24/88/35/197248835.db2.gz HLOPEEOSHWFQRO-HZMBPMFUSA-N 1 0 311.813 2.360 10 0 DEAERO CC[NH2+]Cc1cn(Cc2cccc(F)c2Br)nn1 ZINC000157914492 197225990 /nfs/dbraw/zinc/22/59/90/197225990.db2.gz XGPICLZCCHTODS-UHFFFAOYSA-N 1 0 313.174 2.338 10 0 DEAERO Cc1nn(-c2cc(C)[nH+]c(C)c2C(N)=O)c(C)c1Br ZINC000157619151 197202906 /nfs/dbraw/zinc/20/29/06/197202906.db2.gz NBCPOELTGPEMCT-UHFFFAOYSA-N 1 0 323.194 2.362 10 0 DEAERO CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H]([N@H+](C)CCOC(C)C)C1 ZINC000157526007 197194203 /nfs/dbraw/zinc/19/42/03/197194203.db2.gz LKLDYGSEKOJHAH-GOEBONIOSA-N 1 0 300.443 2.109 10 0 DEAERO COc1ccc(CC2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000157380300 197183767 /nfs/dbraw/zinc/18/37/67/197183767.db2.gz WLKDYYMRVRKEGV-KRWDZBQOSA-N 1 0 302.418 2.228 10 0 DEAERO COc1nc2sccn2c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157423338 197186186 /nfs/dbraw/zinc/18/61/86/197186186.db2.gz DKGGRFCNWFXBOL-NWDGAFQWSA-N 1 0 306.435 2.121 10 0 DEAERO O=C(Cc1cccc(Br)c1)NCC[C@@H]1CCC[NH2+]1 ZINC000157404396 197185754 /nfs/dbraw/zinc/18/57/54/197185754.db2.gz ICCMWBFMDDKCTB-ZDUSSCGKSA-N 1 0 311.223 2.250 10 0 DEAERO CCC[NH2+]C[C@@H](O)COc1c(Br)cccc1OC ZINC000157197911 197169159 /nfs/dbraw/zinc/16/91/59/197169159.db2.gz BXBXKRLFBAKMEX-SNVBAGLBSA-N 1 0 318.211 2.197 10 0 DEAERO CSc1nsc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000157077968 197160106 /nfs/dbraw/zinc/16/01/06/197160106.db2.gz ORFIRFDLPIEFLO-IUCAKERBSA-N 1 0 315.468 2.206 10 0 DEAERO C[C@](O)(Cc1cc(Br)cs1)C[C@@H]1COCC[NH2+]1 ZINC000156923547 197150326 /nfs/dbraw/zinc/15/03/26/197150326.db2.gz IHLYWHBCVRYCPL-ZYHUDNBSSA-N 1 0 320.252 2.183 10 0 DEAERO CSC(C)(C)C[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000156679516 197132939 /nfs/dbraw/zinc/13/29/39/197132939.db2.gz SHSPSHPENIMJBP-UHFFFAOYSA-N 1 0 310.419 2.128 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ncc(Cl)cc1Cl ZINC000156184758 197093096 /nfs/dbraw/zinc/09/30/96/197093096.db2.gz WXMZLXQPIDKKNZ-SCZZXKLOSA-N 1 0 317.220 2.139 10 0 DEAERO CC(C)Cc1ccc([C@@H](C)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000156107324 197087189 /nfs/dbraw/zinc/08/71/89/197087189.db2.gz MJOIYSDXRUCCIA-BEFAXECRSA-N 1 0 320.477 2.417 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000156091749 197086252 /nfs/dbraw/zinc/08/62/52/197086252.db2.gz VEJCTHUYBWKSHY-PHDIDXHHSA-N 1 0 308.250 2.334 10 0 DEAERO COc1cccc(F)c1[C@H]([NH3+])[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000156088892 197085958 /nfs/dbraw/zinc/08/59/58/197085958.db2.gz YICFMRZECCGWGB-ZIBATOQPSA-N 1 0 315.410 2.438 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000155580021 197069732 /nfs/dbraw/zinc/06/97/32/197069732.db2.gz SKXAWCUKYYVCAF-BBRMVZONSA-N 1 0 308.397 2.440 10 0 DEAERO O=c1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2ccccn12 ZINC000246720676 285219362 /nfs/dbraw/zinc/21/93/62/285219362.db2.gz VANDJNBHSXHEMF-HOCLYGCPSA-N 1 0 324.428 2.148 10 0 DEAERO CCC(=O)Nc1cccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155441488 197055437 /nfs/dbraw/zinc/05/54/37/197055437.db2.gz LZZPOWSHMVFEIW-XJKSGUPXSA-N 1 0 317.433 2.494 10 0 DEAERO CCc1nnc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)s1 ZINC000120404352 195159268 /nfs/dbraw/zinc/15/92/68/195159268.db2.gz YYPGNOIIZOYQBN-WDEREUQCSA-N 1 0 311.455 2.295 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000120623102 195204070 /nfs/dbraw/zinc/20/40/70/195204070.db2.gz RKUQOEPSEALSLJ-BXUZGUMPSA-N 1 0 323.824 2.220 10 0 DEAERO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000120701380 195219194 /nfs/dbraw/zinc/21/91/94/195219194.db2.gz HTPIVFWXBATWPE-OCCSQVGLSA-N 1 0 321.396 2.014 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000543669742 285301883 /nfs/dbraw/zinc/30/18/83/285301883.db2.gz WBBGVRVEYOUDSP-OAHLLOKOSA-N 1 0 311.470 2.461 10 0 DEAERO CC(C)C[N@@H+]1C[C@@H]2CN(S(C)(=O)=O)c3ccccc3[C@H]2C1 ZINC000248210337 257107192 /nfs/dbraw/zinc/10/71/92/257107192.db2.gz CVYQJLOHKXPXSX-HIFRSBDPSA-N 1 0 308.447 2.138 10 0 DEAERO Cn1cncc1C[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCC2)C1 ZINC000248061405 257110697 /nfs/dbraw/zinc/11/06/97/257110697.db2.gz USZPFIYGXKAXFQ-AEFFLSMTSA-N 1 0 316.449 2.035 10 0 DEAERO COc1ncccc1C[N@H+]1CC[C@@H](OC)[C@H]1Cc1ccncc1 ZINC000247910792 257114463 /nfs/dbraw/zinc/11/44/63/257114463.db2.gz YCSFBSFCMQLRFM-IAGOWNOFSA-N 1 0 313.401 2.317 10 0 DEAERO Fc1cnc(N2CC3(C2)CC[C@H](C[NH+]2CCCCC2)CO3)nc1 ZINC000247510715 257119459 /nfs/dbraw/zinc/11/94/59/257119459.db2.gz IIUNDHKVXKWAHB-CQSZACIVSA-N 1 0 320.412 2.087 10 0 DEAERO CC[C@@H]1CN(Cc2ccccc2NC(C)=O)CC[N@@H+]1CCOC ZINC000120968136 195272919 /nfs/dbraw/zinc/27/29/19/195272919.db2.gz LQVUIAGWNRAXDL-QGZVFWFLSA-N 1 0 319.449 2.188 10 0 DEAERO CC[C@H]1N[C@@H](c2cccs2)N(CC2CC[NH+](C)CC2)C1=O ZINC000122004364 195389674 /nfs/dbraw/zinc/38/96/74/195389674.db2.gz GKIRXBSJPFQTET-UKRRQHHQSA-N 1 0 307.463 2.299 10 0 DEAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)c1c(Cl)cnn1CC[NH+](C)C ZINC000123219736 195557122 /nfs/dbraw/zinc/55/71/22/195557122.db2.gz VHEUWYMECYUQOI-LSCVPOLPSA-N 1 0 313.829 2.340 10 0 DEAERO C[NH2+][C@](CO)(CSc1ccc2c(c1)OCCCO2)C1CC1 ZINC000124665136 195666068 /nfs/dbraw/zinc/66/60/68/195666068.db2.gz GRVOAUXMIKUKLF-MRXNPFEDSA-N 1 0 309.431 2.301 10 0 DEAERO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000561353862 291960376 /nfs/dbraw/zinc/96/03/76/291960376.db2.gz UTGVMQFYLSHNLG-ZGRYLRDCSA-N 1 0 318.465 2.483 10 0 DEAERO COCCOCCOCCO[C@H](c1ccc(C)s1)[C@@H](C)[NH3+] ZINC000124798475 195680852 /nfs/dbraw/zinc/68/08/52/195680852.db2.gz MZXDVJCSWBLWFR-HIFRSBDPSA-N 1 0 317.451 2.141 10 0 DEAERO CC[C@H]1N[C@@H](c2ccsc2)N(CCC[NH+]2CCCC2)C1=O ZINC000125036153 195706075 /nfs/dbraw/zinc/70/60/75/195706075.db2.gz NPFWVUJEHUVKIL-HUUCEWRRSA-N 1 0 307.463 2.443 10 0 DEAERO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000127976667 195926581 /nfs/dbraw/zinc/92/65/81/195926581.db2.gz QOSZLZJEEPLBFE-XYZCENFISA-N 1 0 320.252 2.401 10 0 DEAERO COc1cccc(CC[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)n1 ZINC000441756746 533465110 /nfs/dbraw/zinc/46/51/10/533465110.db2.gz AGVJXECLKRQMNF-QGZVFWFLSA-N 1 0 313.401 2.052 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000366650602 131285131 /nfs/dbraw/zinc/28/51/31/131285131.db2.gz GAAVQCYEGSQMDB-DLBZAZTESA-N 1 0 323.481 2.176 10 0 DEAERO Cc1cc2c(cc1C)O[C@@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)C2 ZINC000262192909 292003308 /nfs/dbraw/zinc/00/33/08/292003308.db2.gz ZSZHKRHYNCCPJH-HZPDHXFCSA-N 1 0 302.418 2.193 10 0 DEAERO C[NH2+]CCCNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000121623387 132157145 /nfs/dbraw/zinc/15/71/45/132157145.db2.gz MSCSPMSRVXLJDT-OLZOCXBDSA-N 1 0 311.223 2.278 10 0 DEAERO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000175086827 132512454 /nfs/dbraw/zinc/51/24/54/132512454.db2.gz AKTRDLGTRIBTMG-MRXNPFEDSA-N 1 0 317.477 2.368 10 0 DEAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000176589999 132520935 /nfs/dbraw/zinc/52/09/35/132520935.db2.gz IRTMHOHGGZQWJI-CABCVRRESA-N 1 0 319.453 2.172 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000176589948 132521057 /nfs/dbraw/zinc/52/10/57/132521057.db2.gz IRTMHOHGGZQWJI-LSDHHAIUSA-N 1 0 319.453 2.172 10 0 DEAERO COCC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245711388 132569892 /nfs/dbraw/zinc/56/98/92/132569892.db2.gz PEMJDBFEWRSKGL-XHDPSFHLSA-N 1 0 314.788 2.235 10 0 DEAERO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000245856478 132572806 /nfs/dbraw/zinc/57/28/06/132572806.db2.gz NOMMCVPZWKSWDS-NJAFHUGGSA-N 1 0 316.445 2.273 10 0 DEAERO CC(C)[C@@H](CNC(=O)NCCc1cn[nH]c1)[NH+]1CCC(C)CC1 ZINC000357651052 133091292 /nfs/dbraw/zinc/09/12/92/133091292.db2.gz MUIZFLWCJQNVNQ-MRXNPFEDSA-N 1 0 321.469 2.008 10 0 DEAERO Cc1nn(C)c(C)c1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000357830048 133102768 /nfs/dbraw/zinc/10/27/68/133102768.db2.gz HXYDVRNOUBZAOV-UHFFFAOYSA-N 1 0 305.426 2.129 10 0 DEAERO CC(=O)N1CCC([NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000357845622 133104408 /nfs/dbraw/zinc/10/44/08/133104408.db2.gz BXKMMRJBRFLZJV-SJLPKXTDSA-N 1 0 302.418 2.365 10 0 DEAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000357867749 133106036 /nfs/dbraw/zinc/10/60/36/133106036.db2.gz NWHYNVJDZVEUNO-GXTWGEPZSA-N 1 0 309.458 2.069 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCC(F)(F)[C@H](C)C2)CC1 ZINC000357913653 133108947 /nfs/dbraw/zinc/10/89/47/133108947.db2.gz ZCNMLGUHIGEIIL-CYBMUJFWSA-N 1 0 301.381 2.325 10 0 DEAERO Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000358191854 133127425 /nfs/dbraw/zinc/12/74/25/133127425.db2.gz PDLHMOPHUMYSBQ-MSOLQXFVSA-N 1 0 314.429 2.352 10 0 DEAERO COCc1ccc(CNC(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000358199139 133127663 /nfs/dbraw/zinc/12/76/63/133127663.db2.gz YCMYTVRTLOFJBE-UHFFFAOYSA-N 1 0 317.433 2.284 10 0 DEAERO c1ccc(-c2nc(SCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)n[nH]2)cc1 ZINC000359786112 133144931 /nfs/dbraw/zinc/14/49/31/133144931.db2.gz CKBWAUGQEQJVSB-OKILXGFUSA-N 1 0 316.430 2.427 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Oc1ccccc1OC ZINC000362039792 133206639 /nfs/dbraw/zinc/20/66/39/133206639.db2.gz UJSAITKYYMPSHF-GJZGRUSLSA-N 1 0 320.433 2.453 10 0 DEAERO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000362528882 133236133 /nfs/dbraw/zinc/23/61/33/133236133.db2.gz OVRRNOMDEJMLMZ-ZDUSSCGKSA-N 1 0 315.421 2.002 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)c1cnn(C)c1)CC2 ZINC000362897818 133257967 /nfs/dbraw/zinc/25/79/67/133257967.db2.gz VSDYWQWJBKGBRO-BMFZPTHFSA-N 1 0 319.453 2.138 10 0 DEAERO O[C@@H](COC1CCOCC1)C[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000368550404 133277958 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CN(Cc1cccc(F)c1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261613257 145210580 /nfs/dbraw/zinc/21/05/80/145210580.db2.gz BGFZMOGVKSKMJW-IIDMSEBBSA-N 1 0 320.408 2.317 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000261627644 145211916 /nfs/dbraw/zinc/21/19/16/145211916.db2.gz BJLLMSISZGAOBM-BFHYXJOUSA-N 1 0 318.421 2.171 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1Cc1nc(C2([NH3+])CCC2)no1 ZINC000261634639 145212383 /nfs/dbraw/zinc/21/23/83/145212383.db2.gz CVGQEKUQCBMOJJ-UHFFFAOYSA-N 1 0 303.410 2.468 10 0 DEAERO C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)[C@H](C[NH3+])C1 ZINC000261646476 145213284 /nfs/dbraw/zinc/21/32/84/145213284.db2.gz OIGPCYIYEMMCBH-UWVGGRQHSA-N 1 0 320.817 2.227 10 0 DEAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261668751 145215045 /nfs/dbraw/zinc/21/50/45/145215045.db2.gz AKBDDUZCGFDDSG-NVXWUHKLSA-N 1 0 304.434 2.267 10 0 DEAERO Cc1cccc2ncc(CN3CC[NH2+]C[C@@H]3c3cccnc3)n21 ZINC000261671328 145215651 /nfs/dbraw/zinc/21/56/51/145215651.db2.gz GYAMGVUXZOKEMB-QGZVFWFLSA-N 1 0 307.401 2.184 10 0 DEAERO CC1CCN(c2cccc(NC(=O)C3([NH3+])CCOCC3)c2)CC1 ZINC000261686888 145216728 /nfs/dbraw/zinc/21/67/28/145216728.db2.gz CVSFDNCIZLTQGI-UHFFFAOYSA-N 1 0 317.433 2.369 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1-n1cccn1 ZINC000261685880 145216979 /nfs/dbraw/zinc/21/69/79/145216979.db2.gz HISDVYOBPLZUSP-SQWLQELKSA-N 1 0 312.417 2.425 10 0 DEAERO O=C(c1cnn(Cc2ccccc2)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261696191 145217832 /nfs/dbraw/zinc/21/78/32/145217832.db2.gz FFGOIEVDVGXCHZ-CALCHBBNSA-N 1 0 324.428 2.003 10 0 DEAERO C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)[C@H]1Oc2ccccc2[C@H]1C ZINC000261699539 145218107 /nfs/dbraw/zinc/21/81/07/145218107.db2.gz CMFNRRYEJFSKME-NPSOMJIGSA-N 1 0 302.418 2.446 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)COc1cccc(F)c1 ZINC000261698928 145218513 /nfs/dbraw/zinc/21/85/13/145218513.db2.gz JGVZRQLETIVPMU-UHFFFAOYSA-N 1 0 316.376 2.235 10 0 DEAERO CC1(C)CN(C(=O)COc2ccc(F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000261762526 145223124 /nfs/dbraw/zinc/22/31/24/145223124.db2.gz FISIGDNHLWBTIN-ZDUSSCGKSA-N 1 0 314.788 2.444 10 0 DEAERO C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CC[C@H]1c1ccccc1 ZINC000261762040 145223259 /nfs/dbraw/zinc/22/32/59/145223259.db2.gz LUGUTOBYTDINEZ-ZTFGCOKTSA-N 1 0 316.445 2.393 10 0 DEAERO CN1c2ccc(CN3CC[C@H]([NH3+])C(C)(C)C3)cc2CCC1=O ZINC000261755484 145223361 /nfs/dbraw/zinc/22/33/61/145223361.db2.gz QNTPNOSCKKKGSA-INIZCTEOSA-N 1 0 301.434 2.155 10 0 DEAERO [NH3+]C1(C(=O)Nc2nc(-c3cccc(F)c3)cs2)CCOCC1 ZINC000261772684 145225124 /nfs/dbraw/zinc/22/51/24/145225124.db2.gz GUAKONLHRMTSBM-UHFFFAOYSA-N 1 0 321.377 2.396 10 0 DEAERO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261790743 145226804 /nfs/dbraw/zinc/22/68/04/145226804.db2.gz NMMKSLSHCNJYTJ-WFASDCNBSA-N 1 0 323.868 2.404 10 0 DEAERO Cc1ccc2ncc(CN3CC[NH2+]C[C@@H]3c3cccnc3)n2c1 ZINC000261796314 145227361 /nfs/dbraw/zinc/22/73/61/145227361.db2.gz VLXBZFDECXWROV-QGZVFWFLSA-N 1 0 307.401 2.184 10 0 DEAERO CCCN(CCC)C(=O)CCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261805902 145228160 /nfs/dbraw/zinc/22/81/60/145228160.db2.gz NAFBAWXWHWHZHC-GJZGRUSLSA-N 1 0 311.470 2.001 10 0 DEAERO Cc1c(CNC(=O)C2([NH3+])CCOCC2)oc2ccc(F)cc12 ZINC000261829293 145231073 /nfs/dbraw/zinc/23/10/73/145231073.db2.gz KSRJYWYRCYMDHG-UHFFFAOYSA-N 1 0 306.337 2.004 10 0 DEAERO Cn1cnc2cc(CN3CC[NH2+]C[C@@H]3c3cccnc3)ccc21 ZINC000261841500 145232386 /nfs/dbraw/zinc/23/23/86/145232386.db2.gz ZTQIMFHJUXZNSB-GOSISDBHSA-N 1 0 307.401 2.115 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H](O)c1ccc(Cl)s1 ZINC000261873183 145235962 /nfs/dbraw/zinc/23/59/62/145235962.db2.gz YDCSLLVTISXGCA-AEJSXWLSSA-N 1 0 302.827 2.069 10 0 DEAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1noc(C2CC2)n1 ZINC000261874816 145236377 /nfs/dbraw/zinc/23/63/77/145236377.db2.gz XWZMGEIYFNZUBW-AWEZNQCLSA-N 1 0 314.389 2.102 10 0 DEAERO CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261884040 145237938 /nfs/dbraw/zinc/23/79/38/145237938.db2.gz FROMTNRFCABANZ-WQVCFCJDSA-N 1 0 307.438 2.046 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000261890061 145237967 /nfs/dbraw/zinc/23/79/67/145237967.db2.gz VJHGSIAOMLACLR-NSHDSACASA-N 1 0 320.817 2.227 10 0 DEAERO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261922142 145241883 /nfs/dbraw/zinc/24/18/83/145241883.db2.gz KONHEEVMZLBMHR-CAPXZKIUSA-N 1 0 307.438 2.142 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)CSc2ccc3c(c2)CCC3)C1 ZINC000261953127 145246160 /nfs/dbraw/zinc/24/61/60/145246160.db2.gz KFNQONNOQITOBD-QGZVFWFLSA-N 1 0 304.459 2.465 10 0 DEAERO Cc1ccc(N2C[C@H](c3nc(C4([NH3+])CCC4)no3)CC2=O)cc1 ZINC000261951939 145246301 /nfs/dbraw/zinc/24/63/01/145246301.db2.gz OCCIOUZABQTKLY-GFCCVEGCSA-N 1 0 312.373 2.236 10 0 DEAERO CC(C)[C@H]1CCC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000261990295 145250929 /nfs/dbraw/zinc/25/09/29/145250929.db2.gz SRCHDQZUHSGAPB-LLLHUVSDSA-N 1 0 318.465 2.054 10 0 DEAERO [NH3+][C@H](C(=O)N1CCC[C@H](Cc2ccccc2)C1)C1CCOCC1 ZINC000262003285 145251920 /nfs/dbraw/zinc/25/19/20/145251920.db2.gz NPUMZBNMUMJHHC-AEFFLSMTSA-N 1 0 316.445 2.222 10 0 DEAERO CC(C)(C)CC(=O)NCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000262004061 145252036 /nfs/dbraw/zinc/25/20/36/145252036.db2.gz LPWHWMGALNADDT-UHFFFAOYSA-N 1 0 302.378 2.248 10 0 DEAERO COc1ccc(CN(CC[NH3+])CCc2ccccc2)cc1O ZINC000261999360 145252367 /nfs/dbraw/zinc/25/23/67/145252367.db2.gz LEAMTEWCALWGEA-UHFFFAOYSA-N 1 0 300.402 2.404 10 0 DEAERO C[C@]1(CN2CCN(C(=O)CCC3CCCCC3)CC2)CC[NH2+]C1 ZINC000262002419 145252385 /nfs/dbraw/zinc/25/23/85/145252385.db2.gz LKLPPTOINREERJ-IBGZPJMESA-N 1 0 321.509 2.491 10 0 DEAERO c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000262043425 145256172 /nfs/dbraw/zinc/25/61/72/145256172.db2.gz YTQBGYDSKSHALC-OWYHZJEWSA-N 1 0 300.446 2.463 10 0 DEAERO CC1(C)CN(C(=O)c2ccccc2Cn2cccn2)CC[C@@H]1[NH3+] ZINC000262059745 145258591 /nfs/dbraw/zinc/25/85/91/145258591.db2.gz RPMDWRWWNUENCW-INIZCTEOSA-N 1 0 312.417 2.131 10 0 DEAERO COCc1cnc(CN(CC[NH3+])CCc2ccccc2)s1 ZINC000262079582 145259998 /nfs/dbraw/zinc/25/99/98/145259998.db2.gz SWXLSVRVOSDADK-UHFFFAOYSA-N 1 0 305.447 2.293 10 0 DEAERO CC1(C)CN(C(=O)c2ccn(-c3ccccc3F)n2)CC[C@@H]1[NH3+] ZINC000262088259 145260906 /nfs/dbraw/zinc/26/09/06/145260906.db2.gz UFQXMQZTZBEMMN-HNNXBMFYSA-N 1 0 316.380 2.211 10 0 DEAERO C[C@H](C[C@H]1COCC[NH2+]1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000262101510 145261531 /nfs/dbraw/zinc/26/15/31/145261531.db2.gz IUQPGCCULMRHDF-WBMJQRKESA-N 1 0 303.406 2.214 10 0 DEAERO C[C@]1(C[NH3+])CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000262098712 145261753 /nfs/dbraw/zinc/26/17/53/145261753.db2.gz UXVZKVGMZRYZSI-QGZVFWFLSA-N 1 0 317.364 2.221 10 0 DEAERO CSc1cccc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000262102949 145262252 /nfs/dbraw/zinc/26/22/52/145262252.db2.gz TUNQSYCZOFKZGS-RYUDHWBXSA-N 1 0 314.476 2.075 10 0 DEAERO [NH3+]C1(C(=O)NC2CCC(c3ccccc3)CC2)CCOCC1 ZINC000262110821 145263057 /nfs/dbraw/zinc/26/30/57/145263057.db2.gz JRSHNLLBBYKXCY-UHFFFAOYSA-N 1 0 302.418 2.337 10 0 DEAERO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262280878 145273850 /nfs/dbraw/zinc/27/38/50/145273850.db2.gz KZJFHVKMRBOSGK-SIXLDLHFSA-N 1 0 302.418 2.493 10 0 DEAERO C[NH2+]CCC(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000262310871 145276116 /nfs/dbraw/zinc/27/61/16/145276116.db2.gz BSMFMYHGIAGZCX-ZDUSSCGKSA-N 1 0 316.323 2.215 10 0 DEAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)CCCC(C)(C)C ZINC000262336651 145277520 /nfs/dbraw/zinc/27/75/20/145277520.db2.gz GHILPPLQFASOOC-UHFFFAOYSA-N 1 0 307.442 2.437 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1)C1C[NH2+]C1 ZINC000262343627 145277794 /nfs/dbraw/zinc/27/77/94/145277794.db2.gz IDXDVKMRKXOYGX-GFCCVEGCSA-N 1 0 321.384 2.190 10 0 DEAERO C[C@H](Cc1cccs1)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262399833 145281217 /nfs/dbraw/zinc/28/12/17/145281217.db2.gz CDPBLEOHFMRECV-LSCFUAHRSA-N 1 0 322.474 2.328 10 0 DEAERO Nc1ccccc1CCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000262395825 145281306 /nfs/dbraw/zinc/28/13/06/145281306.db2.gz BWBRYYZMMAZAGZ-UHFFFAOYSA-N 1 0 301.434 2.288 10 0 DEAERO Cc1csc([C@H](C)NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000262430863 145283565 /nfs/dbraw/zinc/28/35/65/145283565.db2.gz FVFSPKVCQPMUNZ-MEQWQQMJSA-N 1 0 323.462 2.161 10 0 DEAERO C[C@@H]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000262506828 145289142 /nfs/dbraw/zinc/28/91/42/145289142.db2.gz MMTTVHVUSDMAKQ-FQRJBHLQSA-N 1 0 308.466 2.461 10 0 DEAERO C[C@H](c1ccccc1)N(C)C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262518946 145289792 /nfs/dbraw/zinc/28/97/92/145289792.db2.gz NWQPFCDFRQAABU-GDBMZVCRSA-N 1 0 303.450 2.265 10 0 DEAERO C[C@@H](NC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000262542351 145291287 /nfs/dbraw/zinc/29/12/87/145291287.db2.gz RGUBAVOLXIBAHT-DOMZBBRYSA-N 1 0 307.413 2.062 10 0 DEAERO COc1ccc(CN2CC[C@H]([NH3+])C(C)(C)C2)c(OC)c1OC ZINC000262557387 145292899 /nfs/dbraw/zinc/29/28/99/145292899.db2.gz UMLHCLOGPAWTPU-AWEZNQCLSA-N 1 0 308.422 2.272 10 0 DEAERO CCc1nc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)sc1C ZINC000262575856 145294403 /nfs/dbraw/zinc/29/44/03/145294403.db2.gz YDGADXMJSPVYBM-NSODJVPESA-N 1 0 323.462 2.485 10 0 DEAERO C[C@H](C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)C1C[NH2+]C1 ZINC000262585120 145295673 /nfs/dbraw/zinc/29/56/73/145295673.db2.gz VELYLRMJMLTFKO-AFAVFJNCSA-N 1 0 318.417 2.163 10 0 DEAERO C[C@@H](C(=O)NCc1cccnc1N(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000262661904 145298626 /nfs/dbraw/zinc/29/86/26/145298626.db2.gz GLVZWNJSKLBFAM-CZUORRHYSA-N 1 0 312.417 2.100 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000262673631 145299170 /nfs/dbraw/zinc/29/91/70/145299170.db2.gz QGXPNIVDNAOFEJ-BHYGNILZSA-N 1 0 303.450 2.487 10 0 DEAERO C[C@H]1[NH2+]CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)[C@@H]1C ZINC000262787968 145304930 /nfs/dbraw/zinc/30/49/30/145304930.db2.gz MSVSBQCRAOEAIW-VXGBXAGGSA-N 1 0 318.808 2.348 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)COc1cc(Cl)ccc1Cl ZINC000262793233 145305266 /nfs/dbraw/zinc/30/52/66/145305266.db2.gz NDYGHOSXIPAUHC-CABZTGNLSA-N 1 0 317.216 2.486 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccc(F)cc2)CC[NH2+]1 ZINC000262829081 145307035 /nfs/dbraw/zinc/30/70/35/145307035.db2.gz HRAQUEKHIZAETN-GWCFXTLKSA-N 1 0 302.353 2.086 10 0 DEAERO Cc1cc(C[NH2+]C2COC2)ccc1I ZINC000307736427 145349580 /nfs/dbraw/zinc/34/95/80/145349580.db2.gz RVLDTMOADRZWCN-UHFFFAOYSA-N 1 0 303.143 2.088 10 0 DEAERO CCc1ccc([C@H](C)c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263189010 145334296 /nfs/dbraw/zinc/33/42/96/145334296.db2.gz HQSNJSDHMLHHNR-SWLSCSKDSA-N 1 0 300.406 2.360 10 0 DEAERO COC(C)(C)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309638646 145349549 /nfs/dbraw/zinc/34/95/49/145349549.db2.gz AYYCCPXRSCPLHN-SFHVURJKSA-N 1 0 304.434 2.440 10 0 DEAERO CCOC[C@H]([NH2+]Cc1c(Br)cnn1C)C(C)C ZINC000310330868 145351880 /nfs/dbraw/zinc/35/18/80/145351880.db2.gz BNTCKFMZCQIGOA-NSHDSACASA-N 1 0 304.232 2.333 10 0 DEAERO CO[C@H]1C[C@@H]([NH2+]Cc2c(Br)cnn2C)C1(C)C ZINC000310120571 145352149 /nfs/dbraw/zinc/35/21/49/145352149.db2.gz ABSOHOBOOVSJFF-MNOVXSKESA-N 1 0 302.216 2.086 10 0 DEAERO COC1([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)CCOCC1 ZINC000453257588 292147071 /nfs/dbraw/zinc/14/70/71/292147071.db2.gz SGKBMTPUAQOBDT-RYQLBKOJSA-N 1 0 319.445 2.326 10 0 DEAERO c1ccc(N2CCC([NH2+]CCc3nnc4n3CCC4)CC2)cc1 ZINC000346050083 146006493 /nfs/dbraw/zinc/00/64/93/146006493.db2.gz BGHQWVYFFYFWCO-UHFFFAOYSA-N 1 0 311.433 2.025 10 0 DEAERO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000357056627 147032117 /nfs/dbraw/zinc/03/21/17/147032117.db2.gz SLBXDLLDUJIRKH-KYOSRNDESA-N 1 0 306.356 2.421 10 0 DEAERO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000358313509 147111732 /nfs/dbraw/zinc/11/17/32/147111732.db2.gz VDGRFILOHVPTGA-GJZGRUSLSA-N 1 0 319.449 2.042 10 0 DEAERO COc1cccc(C2=CCN(C(=O)N[C@H](C)C[NH+](C)C)CC2)c1 ZINC000358498091 147145982 /nfs/dbraw/zinc/14/59/82/147145982.db2.gz KEGPUWPOGGXMBH-CQSZACIVSA-N 1 0 317.433 2.444 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CC=C(C)CC2)[C@H](C)C1 ZINC000358649943 147173210 /nfs/dbraw/zinc/17/32/10/147173210.db2.gz OMWSDIZPVFBILZ-SJORKVTESA-N 1 0 322.497 2.010 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N2CCn3cccc3[C@H]2C)CC1 ZINC000358669921 147178355 /nfs/dbraw/zinc/17/83/55/147178355.db2.gz SDAMAXVQMPOBJI-OAHLLOKOSA-N 1 0 302.422 2.226 10 0 DEAERO COC1CC[NH+](C(C)(C)CNC(=O)N2CCC23CCC3)CC1 ZINC000435489652 292168488 /nfs/dbraw/zinc/16/84/88/292168488.db2.gz CMKNXTKVZBHQJS-UHFFFAOYSA-N 1 0 309.454 2.214 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000371232779 148075581 /nfs/dbraw/zinc/07/55/81/148075581.db2.gz UXVCVDBABGANNY-GJZGRUSLSA-N 1 0 317.433 2.438 10 0 DEAERO COC(=O)CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000371628012 148124141 /nfs/dbraw/zinc/12/41/41/148124141.db2.gz LGNOARDDYVNLIY-SJORKVTESA-N 1 0 302.418 2.288 10 0 DEAERO c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000374271148 148225009 /nfs/dbraw/zinc/22/50/09/148225009.db2.gz NREYEPKDKOYKRF-FUHWJXTLSA-N 1 0 313.401 2.300 10 0 DEAERO CSc1ccc(CN(C)C(=O)C[N@@H+]2CCOCC[C@@H]2C)cc1 ZINC000374986017 148312969 /nfs/dbraw/zinc/31/29/69/148312969.db2.gz HRTRFGNYNMFTIK-AWEZNQCLSA-N 1 0 322.474 2.478 10 0 DEAERO C(C[NH+]1CCCC1)OC1CCN(c2nc(C3CCC3)no2)CC1 ZINC000565814486 292183598 /nfs/dbraw/zinc/18/35/98/292183598.db2.gz NXMUXNFUELEBMK-UHFFFAOYSA-N 1 0 320.437 2.418 10 0 DEAERO CCOCCC1(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)CC1 ZINC000246508948 286046604 /nfs/dbraw/zinc/04/66/04/286046604.db2.gz IBPIAJRCZLLDDE-HOTGVXAUSA-N 1 0 323.481 2.461 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)OC)cc2F)C1 ZINC000111763047 401723299 /nfs/dbraw/zinc/72/32/99/401723299.db2.gz SPDZJXFXVCTYJK-GFCCVEGCSA-N 1 0 323.368 2.218 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCc1ccccc1 ZINC000111792660 401723940 /nfs/dbraw/zinc/72/39/40/401723940.db2.gz UDIUZCOLPPXEGT-KRWDZBQOSA-N 1 0 319.449 2.029 10 0 DEAERO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000073989776 401727339 /nfs/dbraw/zinc/72/73/39/401727339.db2.gz DCBKIUDJFJTUIE-DYVFJYSZSA-N 1 0 320.408 2.456 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn2c1CCCC2 ZINC000126881448 401711977 /nfs/dbraw/zinc/71/19/77/401711977.db2.gz PKYSNGHXIRUBPD-CQSZACIVSA-N 1 0 304.438 2.214 10 0 DEAERO CCc1ccccc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000126955146 401714817 /nfs/dbraw/zinc/71/48/17/401714817.db2.gz NDWRKTKTFCGFSA-ZBFHGGJFSA-N 1 0 304.434 2.166 10 0 DEAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3ccccc3)CC2)nc1 ZINC000114415662 401798647 /nfs/dbraw/zinc/79/86/47/401798647.db2.gz FOEMMNBTIUTZPH-UHFFFAOYSA-N 1 0 324.428 2.106 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000076997169 401802191 /nfs/dbraw/zinc/80/21/91/401802191.db2.gz MXDHLVXLTDUXIW-HOTGVXAUSA-N 1 0 323.412 2.249 10 0 DEAERO COC(=O)Nc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127814748 401751229 /nfs/dbraw/zinc/75/12/29/401751229.db2.gz GSQRMDPLJHTKKF-CHWSQXEVSA-N 1 0 319.405 2.420 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)CCn2cnc3ccccc32)CC[N@@H+]1C ZINC000127903857 401755126 /nfs/dbraw/zinc/75/51/26/401755126.db2.gz FEXQLWLCEIQCEA-HUUCEWRRSA-N 1 0 314.433 2.368 10 0 DEAERO CCOCCCCNC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112744677 401757298 /nfs/dbraw/zinc/75/72/98/401757298.db2.gz AFZXAAUOBDAINV-UHFFFAOYSA-N 1 0 322.453 2.428 10 0 DEAERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC3(C)COC3)C2)CC1 ZINC000112753329 401757649 /nfs/dbraw/zinc/75/76/49/401757649.db2.gz LCVPRFSSJIDIAE-INIZCTEOSA-N 1 0 323.481 2.176 10 0 DEAERO CC(C)C[C@H]1COCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075313573 401757814 /nfs/dbraw/zinc/75/78/14/401757814.db2.gz YCWDYYUWCHIJHJ-HMQMGEFJSA-N 1 0 323.481 2.458 10 0 DEAERO C[NH+](C)C1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000127962129 401757835 /nfs/dbraw/zinc/75/78/35/401757835.db2.gz SGAXFNJPGWIICI-QGZVFWFLSA-N 1 0 301.434 2.032 10 0 DEAERO COC(=O)Nc1ccccc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000112869231 401760105 /nfs/dbraw/zinc/76/01/05/401760105.db2.gz FGDDOPLBSFIEQO-CYBMUJFWSA-N 1 0 319.405 2.469 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccncc2Cl)CC1 ZINC000075718667 401767282 /nfs/dbraw/zinc/76/72/82/401767282.db2.gz DLWNBPAHSQATOX-INIZCTEOSA-N 1 0 322.884 2.337 10 0 DEAERO Cc1[nH]c(=S)sc1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113224478 401770796 /nfs/dbraw/zinc/77/07/96/401770796.db2.gz YPRDRLCXQGCSHC-ONGXEEELSA-N 1 0 311.476 2.352 10 0 DEAERO COc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc(OC)c1C ZINC000113226770 401770877 /nfs/dbraw/zinc/77/08/77/401770877.db2.gz ZXXLPMYFNMEIJJ-SWLSCSKDSA-N 1 0 318.417 2.321 10 0 DEAERO Cc1csc(=O)n1CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128311637 401771382 /nfs/dbraw/zinc/77/13/82/401771382.db2.gz MKUCQPABUMXXPU-KGLIPLIRSA-N 1 0 306.435 2.188 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)c1ccc(Cl)cc1 ZINC000113228285 401771782 /nfs/dbraw/zinc/77/17/82/401771782.db2.gz HJHKSJOVUYHZJI-BXUZGUMPSA-N 1 0 306.793 2.218 10 0 DEAERO COC(=O)Nc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113233184 401771961 /nfs/dbraw/zinc/77/19/61/401771961.db2.gz LHOJYUILKSZIPA-SWLSCSKDSA-N 1 0 317.389 2.174 10 0 DEAERO Cc1cc(C)cc(NC(=O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113268295 401773606 /nfs/dbraw/zinc/77/36/06/401773606.db2.gz WWRZZDSEEXWNLF-DOTOQJQBSA-N 1 0 301.434 2.410 10 0 DEAERO CCc1nc(NC(=O)CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)sc1C ZINC000113269169 401773837 /nfs/dbraw/zinc/77/38/37/401773837.db2.gz VRCGPGOUAIRVSN-WCQYABFASA-N 1 0 322.478 2.121 10 0 DEAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000075958641 401775128 /nfs/dbraw/zinc/77/51/28/401775128.db2.gz NHVDIULACNWLIS-XJKSGUPXSA-N 1 0 302.422 2.277 10 0 DEAERO CC[C@@H](C)CS(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000113291153 401775486 /nfs/dbraw/zinc/77/54/86/401775486.db2.gz WGVOFXCCBUZTKS-CABCVRRESA-N 1 0 302.484 2.313 10 0 DEAERO CC1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000128421794 401776142 /nfs/dbraw/zinc/77/61/42/401776142.db2.gz JIUDFLLNFBUAKA-HOTGVXAUSA-N 1 0 304.438 2.215 10 0 DEAERO Cc1nc(C)c(CCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)s1 ZINC000113619622 401784161 /nfs/dbraw/zinc/78/41/61/401784161.db2.gz GPMVWYGUKLBSNC-SMDDNHRTSA-N 1 0 322.478 2.181 10 0 DEAERO O=C(C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)NC1CCOCC1 ZINC000076292549 401789339 /nfs/dbraw/zinc/78/93/39/401789339.db2.gz GFMAMLZUDPZUBK-QGZVFWFLSA-N 1 0 320.408 2.128 10 0 DEAERO CCCC[C@@H](COC)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000128742589 401789763 /nfs/dbraw/zinc/78/97/63/401789763.db2.gz IAYLVFTUQNNVOQ-IRXDYDNUSA-N 1 0 306.450 2.481 10 0 DEAERO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128774408 401791436 /nfs/dbraw/zinc/79/14/36/401791436.db2.gz PQXAEVLQTJONBX-CABCVRRESA-N 1 0 313.467 2.170 10 0 DEAERO Cn1c(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)nnc1C1CC1 ZINC000128785422 401791856 /nfs/dbraw/zinc/79/18/56/401791856.db2.gz UJAXRAMZNJLYEY-KBPBESRZSA-N 1 0 300.410 2.163 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)NCC[C@@H](C)O)c1ccccc1 ZINC000114819609 401811134 /nfs/dbraw/zinc/81/11/34/401811134.db2.gz BGBDUHKSNDYFOZ-GDBMZVCRSA-N 1 0 307.438 2.140 10 0 DEAERO CCc1nc(CC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cs1 ZINC000076482364 401796115 /nfs/dbraw/zinc/79/61/15/401796115.db2.gz NEYVAYJBZLZSJS-GXTWGEPZSA-N 1 0 309.479 2.437 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2OCO3)[C@H](C)C1 ZINC000076486371 401796715 /nfs/dbraw/zinc/79/67/15/401796715.db2.gz KJOULMUMWRNKCM-OCCSQVGLSA-N 1 0 304.390 2.218 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1cccs1 ZINC000115370223 401826114 /nfs/dbraw/zinc/82/61/14/401826114.db2.gz HTMCCDCOKJGKLX-ZDUSSCGKSA-N 1 0 310.463 2.253 10 0 DEAERO CC[C@H](CCO)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000077756556 401829231 /nfs/dbraw/zinc/82/92/31/401829231.db2.gz PRKGAVGDVTWXLV-QGZVFWFLSA-N 1 0 319.449 2.243 10 0 DEAERO CC(C)CC[C@](C)(O)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000077776960 401830832 /nfs/dbraw/zinc/83/08/32/401830832.db2.gz NTAIVTVQHJLVRP-RDJZCZTQSA-N 1 0 315.502 2.449 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CC(F)(F)F ZINC000116247376 401846992 /nfs/dbraw/zinc/84/69/92/401846992.db2.gz JDIDDATURWGCRR-AAEUAGOBSA-N 1 0 315.339 2.361 10 0 DEAERO COc1ccccc1CC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000116276149 401847655 /nfs/dbraw/zinc/84/76/55/401847655.db2.gz LQZHOBMJHVAZEF-MRXNPFEDSA-N 1 0 302.418 2.180 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116323330 401850022 /nfs/dbraw/zinc/85/00/22/401850022.db2.gz RUKZCUHKVFMLKP-GOEBONIOSA-N 1 0 304.438 2.001 10 0 DEAERO CC1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000116321762 401850050 /nfs/dbraw/zinc/85/00/50/401850050.db2.gz CUXZWEQFGXAVCB-CKDBGZEDSA-N 1 0 318.465 2.247 10 0 DEAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000028877670 401853503 /nfs/dbraw/zinc/85/35/03/401853503.db2.gz COODCLLYQAJYIL-STQMWFEESA-N 1 0 305.422 2.380 10 0 DEAERO CCC(CC)SCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000131804562 401857682 /nfs/dbraw/zinc/85/76/82/401857682.db2.gz PMTIWZOZSRNNKW-CQSZACIVSA-N 1 0 316.511 2.381 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)CCO1 ZINC000116786522 401859461 /nfs/dbraw/zinc/85/94/61/401859461.db2.gz LYSUFMOPAGDESO-CYBMUJFWSA-N 1 0 316.323 2.108 10 0 DEAERO CC(C)COc1cccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000116798301 401859971 /nfs/dbraw/zinc/85/99/71/401859971.db2.gz NMFJSVLLKSAMHR-QGZVFWFLSA-N 1 0 320.433 2.124 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnn(CC(F)F)c1 ZINC000116930380 401864525 /nfs/dbraw/zinc/86/45/25/401864525.db2.gz GZZVCZMFVMDQAS-NSHDSACASA-N 1 0 315.368 2.144 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)NC(C2CC2)C2CC2)C[C@H]1CC ZINC000117029230 401867203 /nfs/dbraw/zinc/86/72/03/401867203.db2.gz YZTKFPSERDVUFD-MRXNPFEDSA-N 1 0 323.481 2.317 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)N(CCCCO)C2CC2)CC1 ZINC000119081635 401924438 /nfs/dbraw/zinc/92/44/38/401924438.db2.gz ZPHKNPADWVQBMO-UHFFFAOYSA-N 1 0 311.470 2.053 10 0 DEAERO COc1cccc([C@H]2CN(CC[C@@H]3CCOC3=O)CCO2)c1 ZINC000119261944 401937246 /nfs/dbraw/zinc/93/72/46/401937246.db2.gz IFZNCDUCLZPMQE-CZUORRHYSA-N 1 0 305.374 2.022 10 0 DEAERO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@H]1CCCO1 ZINC000079487904 401874056 /nfs/dbraw/zinc/87/40/56/401874056.db2.gz SGOCRGPKHOKVHK-DOTOQJQBSA-N 1 0 319.449 2.327 10 0 DEAERO CC(C)Oc1cccnc1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000079531762 401875351 /nfs/dbraw/zinc/87/53/51/401875351.db2.gz CJSFLTTVDKGTJH-UHFFFAOYSA-N 1 0 305.422 2.331 10 0 DEAERO CC(C)Oc1cccnc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000079542029 401875606 /nfs/dbraw/zinc/87/56/06/401875606.db2.gz YTHXQLWGZUVKGC-UHFFFAOYSA-N 1 0 305.422 2.473 10 0 DEAERO COc1cccc(N2CCC[C@H]([NH2+]Cc3cncn3C)C2)c1 ZINC000117390224 401875633 /nfs/dbraw/zinc/87/56/33/401875633.db2.gz ODSGPODYOBCROK-AWEZNQCLSA-N 1 0 300.406 2.187 10 0 DEAERO CC[C@@H](C)C[C@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000080690464 401891656 /nfs/dbraw/zinc/89/16/56/401891656.db2.gz OULYFVIGAMJGNU-CABCVRRESA-N 1 0 318.465 2.388 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccccc2OC(F)F)C1 ZINC000118333805 401895713 /nfs/dbraw/zinc/89/57/13/401895713.db2.gz ZISUAJBZBPDSMU-CYBMUJFWSA-N 1 0 312.360 2.431 10 0 DEAERO O=C(C[NH2+]C1CCOCC1)Nc1cccc(Br)c1 ZINC000036319680 401904333 /nfs/dbraw/zinc/90/43/33/401904333.db2.gz NSEXYAOBRAPYDF-UHFFFAOYSA-N 1 0 313.195 2.156 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(F)cc2Cl)CCO1 ZINC000118789985 401907970 /nfs/dbraw/zinc/90/79/70/401907970.db2.gz UXEVSXBZBWAQAD-LLVKDONJSA-N 1 0 315.776 2.273 10 0 DEAERO C[NH2+]C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000084748029 401909561 /nfs/dbraw/zinc/90/95/61/401909561.db2.gz WAECPGSJFKWRMX-UHFFFAOYSA-N 1 0 311.223 2.202 10 0 DEAERO C[C@@H](Sc1ccccn1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000084971893 401912144 /nfs/dbraw/zinc/91/21/44/401912144.db2.gz AVLMTUZYERBEGA-CYBMUJFWSA-N 1 0 305.447 2.259 10 0 DEAERO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000037413425 401913397 /nfs/dbraw/zinc/91/33/97/401913397.db2.gz DKTOKVWOFZTCHM-VXGBXAGGSA-N 1 0 305.403 2.141 10 0 DEAERO COCCc1nc(C)c([C@H](C)[NH2+]CCc2nc(C)no2)s1 ZINC000089519006 401950919 /nfs/dbraw/zinc/95/09/19/401950919.db2.gz KTSAIKXMHPICJE-VIFPVBQESA-N 1 0 310.423 2.225 10 0 DEAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000089637584 401955064 /nfs/dbraw/zinc/95/50/64/401955064.db2.gz CQNSNHCVPHSVGW-NEPJUHHUSA-N 1 0 315.483 2.420 10 0 DEAERO CC1CC[NH+](CCN2CCC[C@@H]2C(=O)Nc2nccs2)CC1 ZINC000119511885 401955527 /nfs/dbraw/zinc/95/55/27/401955527.db2.gz RIDNYXQFRCSOME-CQSZACIVSA-N 1 0 322.478 2.278 10 0 DEAERO CCC(=O)c1ccc(OCC(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000045428642 401957813 /nfs/dbraw/zinc/95/78/13/401957813.db2.gz UNBBXBUNCZOQPX-UHFFFAOYSA-N 1 0 318.417 2.211 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](OC)c1ccccc1 ZINC000045578020 401959163 /nfs/dbraw/zinc/95/91/63/401959163.db2.gz GFQJHRKLNGSHME-ZBFHGGJFSA-N 1 0 307.438 2.404 10 0 DEAERO CCN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1ccccn1 ZINC000119759784 401965561 /nfs/dbraw/zinc/96/55/61/401965561.db2.gz JZPSNIMIDHRZIY-IRXDYDNUSA-N 1 0 317.433 2.074 10 0 DEAERO CCC[C@@H](C(=O)NCc1ccnc(N2CCCCC2)c1)[NH+](C)C ZINC000136515451 401969124 /nfs/dbraw/zinc/96/91/24/401969124.db2.gz VNOWYOCVIRAYCZ-INIZCTEOSA-N 1 0 318.465 2.418 10 0 DEAERO CCN(CCc1nccs1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000119867368 401969334 /nfs/dbraw/zinc/96/93/34/401969334.db2.gz NAJLGMCLJVSYIT-LBPRGKRZSA-N 1 0 310.467 2.200 10 0 DEAERO c1ccc2c(c1)CCCN2CC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000090552180 401984857 /nfs/dbraw/zinc/98/48/57/401984857.db2.gz BSQZSDALZVPRDQ-OALUTQOASA-N 1 0 316.445 2.319 10 0 DEAERO CC(C)(C)OC(=O)c1ccc(C(N)=[NH2+])c(N)c1Br ZINC000090623809 401985841 /nfs/dbraw/zinc/98/58/41/401985841.db2.gz CPESBXUBODGMCI-UHFFFAOYSA-N 1 0 314.183 2.271 10 0 DEAERO CCCn1cc(C[NH+]2CCC(N(C)c3cccnn3)CC2)cn1 ZINC000120343487 401987424 /nfs/dbraw/zinc/98/74/24/401987424.db2.gz CKYORQHTNVFFSV-UHFFFAOYSA-N 1 0 314.437 2.184 10 0 DEAERO CN(Cc1ccco1)C(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047972018 401991483 /nfs/dbraw/zinc/99/14/83/401991483.db2.gz JNXCZKVLIPOMJH-UHFFFAOYSA-N 1 0 319.449 2.046 10 0 DEAERO C[C@H](C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1)CS(C)(=O)=O ZINC000119292988 401938643 /nfs/dbraw/zinc/93/86/43/401938643.db2.gz OJDQNQVCWYIOIO-UKRRQHHQSA-N 1 0 313.438 2.371 10 0 DEAERO CCc1nc(CCNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cs1 ZINC000119310466 401940364 /nfs/dbraw/zinc/94/03/64/401940364.db2.gz KIJLKQLUAXGZJX-JSGCOSHPSA-N 1 0 324.494 2.276 10 0 DEAERO NC(=O)C[C@H]([NH3+])c1ccc(Br)c(Br)c1 ZINC000044256403 401940440 /nfs/dbraw/zinc/94/04/40/401940440.db2.gz OWPQPEAWLWQYTP-QMMMGPOBSA-N 1 0 322.000 2.087 10 0 DEAERO NC(=O)C[C@@H]([NH3+])c1ccc(Br)c(Br)c1 ZINC000044256400 401940485 /nfs/dbraw/zinc/94/04/85/401940485.db2.gz OWPQPEAWLWQYTP-MRVPVSSYSA-N 1 0 322.000 2.087 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(C(=O)C(C3CC3)C3CC3)CC2)CCO1 ZINC000119445798 401950405 /nfs/dbraw/zinc/95/04/05/401950405.db2.gz SMQJRTRKGQYCHV-ZDUSSCGKSA-N 1 0 306.450 2.134 10 0 DEAERO CC[C@@H]1CN(CCC(=O)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000122011522 402058938 /nfs/dbraw/zinc/05/89/38/402058938.db2.gz FLWLWXRBKOTNRL-QGZVFWFLSA-N 1 0 322.424 2.441 10 0 DEAERO O=C(NCCC1=CCCCC1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000049172385 402013804 /nfs/dbraw/zinc/01/38/04/402013804.db2.gz NLOJRHKTGMCXMN-MRXNPFEDSA-N 1 0 309.454 2.023 10 0 DEAERO CC[C@@H]1CCCCC[N@@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000093530202 402016735 /nfs/dbraw/zinc/01/67/35/402016735.db2.gz VLLPPSCDUNGJAM-QGZVFWFLSA-N 1 0 317.481 2.383 10 0 DEAERO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000121161709 402017975 /nfs/dbraw/zinc/01/79/75/402017975.db2.gz XCJPBAJQESATKX-CQSZACIVSA-N 1 0 304.434 2.477 10 0 DEAERO CCCOc1cccc(CN2CC[NH+]([C@@H](CC)CO)CC2)c1 ZINC000093740213 402019767 /nfs/dbraw/zinc/01/97/67/402019767.db2.gz QOOVUUCDDDFHED-KRWDZBQOSA-N 1 0 306.450 2.364 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2nncs2)C1 ZINC000053750148 402059357 /nfs/dbraw/zinc/05/93/57/402059357.db2.gz TXRSUVKRPKHUJT-GHMZBOCLSA-N 1 0 311.455 2.416 10 0 DEAERO C[NH2+][C@@H](CCO)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000095075700 402024155 /nfs/dbraw/zinc/02/41/55/402024155.db2.gz PAHIEYCZCQNBIQ-HOTGVXAUSA-N 1 0 306.406 2.148 10 0 DEAERO CC(C)(C)NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000050509710 402028624 /nfs/dbraw/zinc/02/86/24/402028624.db2.gz NEXBIKAPOCZHJB-UHFFFAOYSA-N 1 0 317.433 2.252 10 0 DEAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1N(C)C ZINC000151320812 402029759 /nfs/dbraw/zinc/02/97/59/402029759.db2.gz LDOSMTFVIZBUHL-ZBFHGGJFSA-N 1 0 323.456 2.389 10 0 DEAERO CCC[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCO1 ZINC000121384029 402032185 /nfs/dbraw/zinc/03/21/85/402032185.db2.gz NCYMDLGKTDEHCA-UYSNPLJNSA-N 1 0 311.470 2.317 10 0 DEAERO CCOc1ccnc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC000121500299 402040333 /nfs/dbraw/zinc/04/03/33/402040333.db2.gz LLNWWMOFVBDVLE-HNNXBMFYSA-N 1 0 302.422 2.354 10 0 DEAERO CCOc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000151519831 402041501 /nfs/dbraw/zinc/04/15/01/402041501.db2.gz HPOMNOLTPYFWGY-AWEZNQCLSA-N 1 0 304.394 2.182 10 0 DEAERO CCc1oc(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)cc1C ZINC000121886565 402056003 /nfs/dbraw/zinc/05/60/03/402056003.db2.gz NLDPFHKJJXPNAI-CQSZACIVSA-N 1 0 321.465 2.154 10 0 DEAERO CC[C@](C)(O)C[NH+]1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000123288919 402120053 /nfs/dbraw/zinc/12/00/53/402120053.db2.gz DVZGCESWBZPERO-KRWDZBQOSA-N 1 0 310.413 2.113 10 0 DEAERO Cc1cc(C)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)[nH]1 ZINC000122512523 402082104 /nfs/dbraw/zinc/08/21/04/402082104.db2.gz YQWSUUFGEJUVJV-JKSUJKDBSA-N 1 0 319.449 2.129 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccccc2F)CC[N@@H+]1C ZINC000123311127 402120840 /nfs/dbraw/zinc/12/08/40/402120840.db2.gz MATFSKGNDDKTQQ-GOEBONIOSA-N 1 0 321.440 2.199 10 0 DEAERO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1OC ZINC000152362729 402092222 /nfs/dbraw/zinc/09/22/22/402092222.db2.gz FRYQOOSXGBOZLD-STQMWFEESA-N 1 0 306.406 2.284 10 0 DEAERO CC(C)N(C(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1)C(C)C ZINC000152539032 402099312 /nfs/dbraw/zinc/09/93/12/402099312.db2.gz BEOKJAWBGGXVOW-INIZCTEOSA-N 1 0 305.422 2.180 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(N(C)C)n1 ZINC000152777808 402108176 /nfs/dbraw/zinc/10/81/76/402108176.db2.gz PSVSDBKGIHDVLU-ZIAGYGMSSA-N 1 0 317.437 2.238 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)N1CCOCC1)CCCO2 ZINC000123246791 402117441 /nfs/dbraw/zinc/11/74/41/402117441.db2.gz NQMLQVLNQYBAMZ-RHSMWYFYSA-N 1 0 320.433 2.219 10 0 DEAERO CC[C@@](C)(O)C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000123465705 402129106 /nfs/dbraw/zinc/12/91/06/402129106.db2.gz PIWUQUJFVTYIIW-MRXNPFEDSA-N 1 0 310.463 2.412 10 0 DEAERO CC[C@](C)(O)C[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000123467916 402129330 /nfs/dbraw/zinc/12/93/30/402129330.db2.gz VTTQHZWWZWPLEC-IBGZPJMESA-N 1 0 318.461 2.315 10 0 DEAERO C[C@H]1Cc2ccccc2N1C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123474883 402129776 /nfs/dbraw/zinc/12/97/76/402129776.db2.gz BCNAIDVRHUTDLK-HLLBOEOZSA-N 1 0 315.461 2.379 10 0 DEAERO COCCC[N@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000066378809 402132106 /nfs/dbraw/zinc/13/21/06/402132106.db2.gz DKXRYMKLOIJVNL-CYBMUJFWSA-N 1 0 308.447 2.482 10 0 DEAERO Cc1ccsc1CNC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123524199 402132489 /nfs/dbraw/zinc/13/24/89/402132489.db2.gz FRDCKYMKYYNBCD-KGLIPLIRSA-N 1 0 309.479 2.087 10 0 DEAERO CCC[C@@H](C(=O)N1CCC(c2nncn2C(C)C)CC1)[NH+](C)C ZINC000153412833 402143381 /nfs/dbraw/zinc/14/33/81/402143381.db2.gz DXJBRGYDDIUQLN-HNNXBMFYSA-N 1 0 321.469 2.295 10 0 DEAERO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H]1CCCO1 ZINC000123799940 402147089 /nfs/dbraw/zinc/14/70/89/402147089.db2.gz RSUPNAWJGBXICW-XOSAIJSUSA-N 1 0 321.465 2.212 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)c2cccc(-c3nc[nH]n3)c2)CC[N@@H+]1C ZINC000154016654 402187204 /nfs/dbraw/zinc/18/72/04/402187204.db2.gz DWRGAVAFALARLN-SWLSCSKDSA-N 1 0 313.405 2.026 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@](C)(CO)C1CCCCC1 ZINC000154032342 402188036 /nfs/dbraw/zinc/18/80/36/402188036.db2.gz JGVLZCXFNMTYMM-RHSMWYFYSA-N 1 0 313.486 2.347 10 0 DEAERO CC(C)CO[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000154053364 402189339 /nfs/dbraw/zinc/18/93/39/402189339.db2.gz ORSGZARVELJQET-ZWKOTPCHSA-N 1 0 318.461 2.433 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(Cc2noc(C3CCCCC3)n2)CC1 ZINC000154058944 402189742 /nfs/dbraw/zinc/18/97/42/402189742.db2.gz MCCBZOURNDJRHO-OAHLLOKOSA-N 1 0 322.453 2.006 10 0 DEAERO CC(=O)CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000103480489 402190776 /nfs/dbraw/zinc/19/07/76/402190776.db2.gz KJYXCAVTBNKFIX-UHFFFAOYSA-N 1 0 300.362 2.290 10 0 DEAERO Cc1ccc(C(=O)CCC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000124922325 402203918 /nfs/dbraw/zinc/20/39/18/402203918.db2.gz MYBARLTXIGBHOV-UHFFFAOYSA-N 1 0 300.402 2.265 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2sccc2Br)C1 ZINC000104188507 402199995 /nfs/dbraw/zinc/19/99/95/402199995.db2.gz RDCVXHIJGOWZGR-MRVPVSSYSA-N 1 0 303.225 2.287 10 0 DEAERO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124838964 402200136 /nfs/dbraw/zinc/20/01/36/402200136.db2.gz NHBKRIFZIKKERN-MAUKXSAKSA-N 1 0 307.434 2.397 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)CSCc2cccnc2)CC[N@@H+]1C ZINC000124119944 402165180 /nfs/dbraw/zinc/16/51/80/402165180.db2.gz AXYGFJVLXWFADC-ZFWWWQNUSA-N 1 0 307.463 2.256 10 0 DEAERO c1ccc(CNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)nc1 ZINC000067674808 402167056 /nfs/dbraw/zinc/16/70/56/402167056.db2.gz PDTTVOAUOVEDFX-UHFFFAOYSA-N 1 0 318.384 2.191 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)c1ccccc1 ZINC000124238343 402170816 /nfs/dbraw/zinc/17/08/16/402170816.db2.gz QHNZKKXUKICOPY-IAGOWNOFSA-N 1 0 319.449 2.140 10 0 DEAERO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000102927458 402175055 /nfs/dbraw/zinc/17/50/55/402175055.db2.gz WHZIJCHFYCOVSB-IKGGRYGDSA-N 1 0 306.450 2.421 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1COc2ccc(OC)cc2C1 ZINC000124373183 402176674 /nfs/dbraw/zinc/17/66/74/402176674.db2.gz CSFMDERRRFETIN-UKRRQHHQSA-N 1 0 320.433 2.093 10 0 DEAERO CC[C@@H]1CN(Cc2noc3c2CCCC3)CC[N@@H+]1CCOC ZINC000108867462 402263698 /nfs/dbraw/zinc/26/36/98/402263698.db2.gz VNAJXFSRIXGPOJ-CQSZACIVSA-N 1 0 307.438 2.096 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106915831 402222320 /nfs/dbraw/zinc/22/23/20/402222320.db2.gz WAIIIIMADSEUJS-NVXWUHKLSA-N 1 0 305.466 2.006 10 0 DEAERO CCc1noc(CC)c1CC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000154661575 402224623 /nfs/dbraw/zinc/22/46/23/402224623.db2.gz VBCQJVHCCZDRRA-ZDUSSCGKSA-N 1 0 307.438 2.285 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1c(OC)cccc1OC ZINC000125548884 402238576 /nfs/dbraw/zinc/23/85/76/402238576.db2.gz JYMMWTGQKSKATK-AWEZNQCLSA-N 1 0 320.433 2.189 10 0 DEAERO COCCOc1ccc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000125560510 402239111 /nfs/dbraw/zinc/23/91/11/402239111.db2.gz YUAMHXRFLFQEQQ-CRAIPNDOSA-N 1 0 323.433 2.152 10 0 DEAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(-n2ccnc2)cc1 ZINC000125698805 402245227 /nfs/dbraw/zinc/24/52/27/402245227.db2.gz MKTBMIUBWFTXKM-YJBOKZPZSA-N 1 0 315.417 2.312 10 0 DEAERO COc1cc([C@@H](C)[NH2+]CC(=O)NC(C)(C)C)cc(OC)c1OC ZINC000125780598 402249782 /nfs/dbraw/zinc/24/97/82/402249782.db2.gz WQPTXJDGFYASIS-LLVKDONJSA-N 1 0 324.421 2.278 10 0 DEAERO c1sc(-c2ccccn2)nc1CN1CC[NH+](C2CC2)CC1 ZINC000125918774 402256739 /nfs/dbraw/zinc/25/67/39/402256739.db2.gz SPGCPDDHJDCORO-UHFFFAOYSA-N 1 0 300.431 2.485 10 0 DEAERO [NH3+][C@@H]1CCN(c2cc(-c3ccccn3)nc(-c3ccncc3)n2)C1 ZINC000070455872 402260620 /nfs/dbraw/zinc/26/06/20/402260620.db2.gz GPFSAPXENQWGBS-CQSZACIVSA-N 1 0 318.384 2.138 10 0 DEAERO Clc1ccccc1-c1cc2c(N3CC[NH2+]CC3)nccn2n1 ZINC000070459157 402261441 /nfs/dbraw/zinc/26/14/41/402261441.db2.gz YZQIFPUQHFBBGP-UHFFFAOYSA-N 1 0 313.792 2.459 10 0 DEAERO CC(C)[N@H+](C)CCNS(=O)(=O)c1c(F)cccc1Cl ZINC000155586518 402261518 /nfs/dbraw/zinc/26/15/18/402261518.db2.gz QJYBRILCVUCTRA-UHFFFAOYSA-N 1 0 308.806 2.098 10 0 DEAERO CC(C)Cc1ccc([C@H](C)[NH2+]CCCN2C(=O)CNC2=O)cc1 ZINC000154312890 402205394 /nfs/dbraw/zinc/20/53/94/402205394.db2.gz FLAYPIZLLGZLFJ-AWEZNQCLSA-N 1 0 317.433 2.478 10 0 DEAERO CNC(=O)[C@H]([NH2+]Cc1ccc(Br)s1)C(C)C ZINC000125027980 402209715 /nfs/dbraw/zinc/20/97/15/402209715.db2.gz JRQYHQCHTZDKAC-SNVBAGLBSA-N 1 0 305.241 2.371 10 0 DEAERO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105923024 402211350 /nfs/dbraw/zinc/21/13/50/402211350.db2.gz QHBVMMDQKAKXQL-HOCLYGCPSA-N 1 0 319.453 2.095 10 0 DEAERO CC[C@H]1CN(Cc2ccc(C(=O)OC)cc2)CC[N@@H+]1CCOC ZINC000106114480 402212801 /nfs/dbraw/zinc/21/28/01/402212801.db2.gz XOFICAFHMVBWKA-KRWDZBQOSA-N 1 0 320.433 2.016 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000176597506 402321975 /nfs/dbraw/zinc/32/19/75/402321975.db2.gz ABSXIIYWOSTPGI-DJIMGWMZSA-N 1 0 317.433 2.128 10 0 DEAERO CC(C)[C@@H](C)NC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109391463 402271794 /nfs/dbraw/zinc/27/17/94/402271794.db2.gz FKTRZPWCOXALFZ-OAHLLOKOSA-N 1 0 321.469 2.033 10 0 DEAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(CC)s1 ZINC000071330673 402272820 /nfs/dbraw/zinc/27/28/20/402272820.db2.gz ULIFLHQUUMENEE-LLVKDONJSA-N 1 0 302.465 2.073 10 0 DEAERO COc1ccc(C(=O)CCC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1F ZINC000176063100 402274767 /nfs/dbraw/zinc/27/47/67/402274767.db2.gz VISRQVYSDVVTAR-ZDUSSCGKSA-N 1 0 322.380 2.008 10 0 DEAERO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccco3)cn2)CC1 ZINC000071564861 402275909 /nfs/dbraw/zinc/27/59/09/402275909.db2.gz ZIQUAKZNLVXCGS-UHFFFAOYSA-N 1 0 301.346 2.400 10 0 DEAERO CCC1(CNC(=O)NCCCC[NH+]2CCOCC2)CCCC1 ZINC000156189830 402277823 /nfs/dbraw/zinc/27/78/23/402277823.db2.gz NKOLSCAYBQJFOH-UHFFFAOYSA-N 1 0 311.470 2.368 10 0 DEAERO CN(C[C@@H]1CCOC1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000176233621 402292955 /nfs/dbraw/zinc/29/29/55/402292955.db2.gz PKPQIDVHFCITML-AWEZNQCLSA-N 1 0 323.412 2.065 10 0 DEAERO CN(C[C@H]1CCOC1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000176233639 402293239 /nfs/dbraw/zinc/29/32/39/402293239.db2.gz PKPQIDVHFCITML-CQSZACIVSA-N 1 0 323.412 2.065 10 0 DEAERO CO[C@H](C)c1nc(C)c(C(=O)N2CCCN(C3CC3)CC2)s1 ZINC000176277946 402296320 /nfs/dbraw/zinc/29/63/20/402296320.db2.gz KXBWBCMFDDYTMC-GFCCVEGCSA-N 1 0 323.462 2.469 10 0 DEAERO Cc1cc(NC(=O)[C@@H](C)N(C)CCc2ncc(C)s2)on1 ZINC000157618599 402296582 /nfs/dbraw/zinc/29/65/82/402296582.db2.gz GWVSZJUZJDLKPI-LLVKDONJSA-N 1 0 308.407 2.249 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1csc(Br)c1 ZINC000221246151 402303628 /nfs/dbraw/zinc/30/36/28/402303628.db2.gz DNCVQLJXQZPTDW-VIFPVBQESA-N 1 0 303.225 2.335 10 0 DEAERO CCOc1cccnc1C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000176386958 402304600 /nfs/dbraw/zinc/30/46/00/402304600.db2.gz FSAOVYJHVTZKRH-AWEZNQCLSA-N 1 0 305.422 2.475 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CC2=CCCCC2)CC1 ZINC000176447057 402310358 /nfs/dbraw/zinc/31/03/58/402310358.db2.gz XFVHEUCBYCCFEG-OAHLLOKOSA-N 1 0 308.466 2.428 10 0 DEAERO CCO[C@@H](CCNC(=O)N1CC[C@@H]([NH+](C)C)C1)C1CCCC1 ZINC000176504720 402315904 /nfs/dbraw/zinc/31/59/04/402315904.db2.gz ORCFXENCBDKSLS-CVEARBPZSA-N 1 0 311.470 2.317 10 0 DEAERO COC[C@@H]1C[N@H+](C)CC12CCN(C(=O)[C@H]1CC=CCC1)CC2 ZINC000225398688 402316772 /nfs/dbraw/zinc/31/67/72/402316772.db2.gz DYZDMAOOSNOTCF-HOTGVXAUSA-N 1 0 306.450 2.160 10 0 DEAERO Cc1c2ccccc2[nH]c(=O)c1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000176519958 402316760 /nfs/dbraw/zinc/31/67/60/402316760.db2.gz CJAYAKPDPDHJGP-ZDUSSCGKSA-N 1 0 311.385 2.169 10 0 DEAERO Cn1nccc1CC[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000225559201 402320873 /nfs/dbraw/zinc/32/08/73/402320873.db2.gz QNDOALFOJLQTDL-CJNGLKHVSA-N 1 0 307.344 2.049 10 0 DEAERO CCC1(CC)CN(CC[NH+]2CCC(C)CC2)CC[S@@]1=O ZINC000185282914 402341136 /nfs/dbraw/zinc/34/11/36/402341136.db2.gz RKWRBCYYVNZJIB-FQEVSTJZSA-N 1 0 300.512 2.341 10 0 DEAERO CCC1(CC)CN(CC(=O)N2CCCC[C@@H]2C)CC[S@]1=O ZINC000185295767 402341330 /nfs/dbraw/zinc/34/13/30/402341330.db2.gz ZZESVPAMMBWVBI-LHSJRXKWSA-N 1 0 314.495 2.011 10 0 DEAERO COc1cc[nH+]c(N2CCN(C(=O)[C@H](C)CC(C)C)CC2)c1 ZINC000185337336 402344387 /nfs/dbraw/zinc/34/43/87/402344387.db2.gz WRFIOGVNRQKKBT-CQSZACIVSA-N 1 0 305.422 2.421 10 0 DEAERO Cc1ccccc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176891827 402346976 /nfs/dbraw/zinc/34/69/76/402346976.db2.gz ANKLGUOQKARYIT-HNNXBMFYSA-N 1 0 304.434 2.160 10 0 DEAERO CCc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000176898427 402348114 /nfs/dbraw/zinc/34/81/14/402348114.db2.gz RAJZCQMFZRLZLH-OAHLLOKOSA-N 1 0 317.433 2.130 10 0 DEAERO CCC[C@H]1CCCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000185398860 402349836 /nfs/dbraw/zinc/34/98/36/402349836.db2.gz GQXSLAFDTOCKKK-INIZCTEOSA-N 1 0 311.470 2.463 10 0 DEAERO COC(=O)c1coc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000185443701 402352619 /nfs/dbraw/zinc/35/26/19/402352619.db2.gz ZYBFFNSBJYJDOI-GFCCVEGCSA-N 1 0 308.378 2.061 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2ccccc2oc1=O ZINC000176974409 402355854 /nfs/dbraw/zinc/35/58/54/402355854.db2.gz LQQKLOGRYFFQSJ-AWEZNQCLSA-N 1 0 314.385 2.349 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc(OC)c(F)c1 ZINC000176987279 402356952 /nfs/dbraw/zinc/35/69/52/402356952.db2.gz VCCFXLWAUVDQAI-CQSZACIVSA-N 1 0 308.397 2.320 10 0 DEAERO CCN(CCC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1)S(C)(=O)=O ZINC000233466129 402358453 /nfs/dbraw/zinc/35/84/53/402358453.db2.gz SCDCMFMKSHKDRE-UKRRQHHQSA-N 1 0 302.484 2.240 10 0 DEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(Br)n1 ZINC000234239730 402359529 /nfs/dbraw/zinc/35/95/29/402359529.db2.gz VVSPSYVVABBNEH-JTQLQIEISA-N 1 0 312.211 2.010 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000177031932 402361884 /nfs/dbraw/zinc/36/18/84/402361884.db2.gz KMYZLTLGPWSVGI-QGZVFWFLSA-N 1 0 314.429 2.301 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1ccccc1F ZINC000177298111 402388857 /nfs/dbraw/zinc/38/88/57/402388857.db2.gz FVUBUWXIGTZMBH-HNNXBMFYSA-N 1 0 307.413 2.494 10 0 DEAERO CCC[C@H](C(=O)N1CCC(O)(c2ccccc2)CC1)[NH+](C)C ZINC000185862147 402383507 /nfs/dbraw/zinc/38/35/07/402383507.db2.gz WWJNADMUDGSPRZ-MRXNPFEDSA-N 1 0 304.434 2.227 10 0 DEAERO C[C@@H]([N@H+](C)CC(=O)NCCN1CCc2ccccc21)C1(C)CC1 ZINC000177231093 402383987 /nfs/dbraw/zinc/38/39/87/402383987.db2.gz DREZVMZXAWOBPK-OAHLLOKOSA-N 1 0 315.461 2.286 10 0 DEAERO Cc1cccc(C[NH+]2CCN(C[C@@H](O)C(F)(F)F)CC2)c1 ZINC000185144241 402328291 /nfs/dbraw/zinc/32/82/91/402328291.db2.gz ZQUREQCBKPNLGR-CQSZACIVSA-N 1 0 302.340 2.036 10 0 DEAERO COc1csc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000227720177 402333897 /nfs/dbraw/zinc/33/38/97/402333897.db2.gz PLBJLDXYKDIDQC-CQSZACIVSA-N 1 0 302.399 2.455 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000237101941 402395623 /nfs/dbraw/zinc/39/56/23/402395623.db2.gz TWWUFPHSVUNKIC-UHFFFAOYSA-N 1 0 322.352 2.078 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(OCC(=O)OC)cc1C)[NH+](C)C ZINC000161695745 402396552 /nfs/dbraw/zinc/39/65/52/402396552.db2.gz PMQLSTAIEVLZMA-OAHLLOKOSA-N 1 0 322.405 2.216 10 0 DEAERO COc1ccc(O[C@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1 ZINC000237233965 402400659 /nfs/dbraw/zinc/40/06/59/402400659.db2.gz WJIPBKNSSVPRAV-CXAGYDPISA-N 1 0 308.422 2.342 10 0 DEAERO CCC[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000186139542 402404838 /nfs/dbraw/zinc/40/48/38/402404838.db2.gz RBIXTBLTCQFEEY-CVEARBPZSA-N 1 0 311.470 2.461 10 0 DEAERO CCC[C@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000186139592 402404875 /nfs/dbraw/zinc/40/48/75/402404875.db2.gz RBIXTBLTCQFEEY-JKSUJKDBSA-N 1 0 311.470 2.461 10 0 DEAERO C[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000237433075 402408410 /nfs/dbraw/zinc/40/84/10/402408410.db2.gz KONOIYVJHZRULD-CZUORRHYSA-N 1 0 321.852 2.297 10 0 DEAERO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000237463785 402408915 /nfs/dbraw/zinc/40/89/15/402408915.db2.gz MCWYPTACVIYZPY-CHWSQXEVSA-N 1 0 320.481 2.110 10 0 DEAERO Cc1cnn([C@@H]2CCC[N@H+](CCNC(=O)OC(C)(C)C)C2)c1 ZINC000177503245 402410051 /nfs/dbraw/zinc/41/00/51/402410051.db2.gz GOCCGRAUQCDECY-CQSZACIVSA-N 1 0 308.426 2.353 10 0 DEAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000237529907 402411145 /nfs/dbraw/zinc/41/11/45/402411145.db2.gz ZKOHVFJQZFRIMR-TUKIKUTGSA-N 1 0 315.417 2.340 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2OCO3)C12CCOCC2 ZINC000186265508 402415958 /nfs/dbraw/zinc/41/59/58/402415958.db2.gz AZCDTJFPOBMSOD-HZPDHXFCSA-N 1 0 319.401 2.479 10 0 DEAERO CCOCCC1(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000177620791 402421156 /nfs/dbraw/zinc/42/11/56/402421156.db2.gz VQHIBYWVFBGJSB-INIZCTEOSA-N 1 0 323.481 2.463 10 0 DEAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000186335511 402422107 /nfs/dbraw/zinc/42/21/07/402422107.db2.gz YCZLJSAOBCKIIV-MRXNPFEDSA-N 1 0 308.353 2.182 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC)o2)C12CCOCC2 ZINC000186338605 402422658 /nfs/dbraw/zinc/42/26/58/402422658.db2.gz JBIFKBXUNCTYBP-GJZGRUSLSA-N 1 0 323.389 2.130 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)COc2ccc3c(c2)CCCC3)C1 ZINC000162605136 402426038 /nfs/dbraw/zinc/42/60/38/402426038.db2.gz LSIIJPZLKUHAES-INIZCTEOSA-N 1 0 302.418 2.107 10 0 DEAERO CCSCc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)no1 ZINC000186374072 402426413 /nfs/dbraw/zinc/42/64/13/402426413.db2.gz RSTJLCPHXMSPAG-SMDDNHRTSA-N 1 0 311.451 2.386 10 0 DEAERO O=C(Nc1cccc2ccccc21)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177684445 402426852 /nfs/dbraw/zinc/42/68/52/402426852.db2.gz CTBOAYHHQUKKDX-HNNXBMFYSA-N 1 0 323.396 2.085 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000177696376 402427384 /nfs/dbraw/zinc/42/73/84/402427384.db2.gz YFJULOQWNMGUKR-KBPBESRZSA-N 1 0 314.433 2.400 10 0 DEAERO O=C([C@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2cccs2)C1 ZINC000237993312 402430720 /nfs/dbraw/zinc/43/07/20/402430720.db2.gz RAAOYJVXJVLSTN-CHWSQXEVSA-N 1 0 306.431 2.038 10 0 DEAERO Cc1cccc(C)c1OC[C@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177754392 402432808 /nfs/dbraw/zinc/43/28/08/402432808.db2.gz XILKERCIDTVUQE-QZTJIDSGSA-N 1 0 318.461 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/nfs/dbraw/zinc/60/37/87/402603787.db2.gz FXZPFLHYPFJUCG-CQSZACIVSA-N 1 0 321.396 2.214 10 0 DEAERO C[C@H](NC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000171639529 402604271 /nfs/dbraw/zinc/60/42/71/402604271.db2.gz XJZUBZQCNGFKLU-GRDNDAEWSA-N 1 0 319.424 2.171 10 0 DEAERO C[C@@H](C(=O)Nc1ccccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171639456 402604631 /nfs/dbraw/zinc/60/46/31/402604631.db2.gz WOLGXHRZCUUYCE-QWHCGFSZSA-N 1 0 307.825 2.447 10 0 DEAERO C[C@@H]1CN(C2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)CCO1 ZINC000171647839 402605740 /nfs/dbraw/zinc/60/57/40/402605740.db2.gz IALSCYWQBDDHBA-APWZRJJASA-N 1 0 318.461 2.079 10 0 DEAERO COc1cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)ccc1O ZINC000180075777 402607163 /nfs/dbraw/zinc/60/71/63/402607163.db2.gz UDIDSEHFGDEEAN-MRXNPFEDSA-N 1 0 320.433 2.088 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248759016 402607853 /nfs/dbraw/zinc/60/78/53/402607853.db2.gz IZHUZYOWBLFFEL-YQFWSFKMSA-N 1 0 306.450 2.134 10 0 DEAERO CN1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000180147902 402608330 /nfs/dbraw/zinc/60/83/30/402608330.db2.gz HZZLZZMFSVSIRV-HQSKLWIPSA-N 1 0 313.445 2.002 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCc2cccc(CO)c2)CC1 ZINC000171673507 402608577 /nfs/dbraw/zinc/60/85/77/402608577.db2.gz PXOKMAUMUPRKSN-UHFFFAOYSA-N 1 0 319.449 2.100 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccnn2C(C)(C)C)[C@@H](C)C1 ZINC000190547631 402609038 /nfs/dbraw/zinc/60/90/38/402609038.db2.gz CELYBNWXCHOYCH-STQMWFEESA-N 1 0 307.442 2.488 10 0 DEAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1C[C@H](O)COc1ccccc1Cl ZINC000248840457 402610695 /nfs/dbraw/zinc/61/06/95/402610695.db2.gz PGOWTFVMUSSSET-CRWXNKLISA-N 1 0 313.825 2.313 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCOC[C@H]1C ZINC000248867532 402612246 /nfs/dbraw/zinc/61/22/46/402612246.db2.gz NQUFVBNRHQSOBF-AHCXZYCDSA-N 1 0 316.445 2.296 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(C(F)(F)F)n1 ZINC000248913291 402614018 /nfs/dbraw/zinc/61/40/18/402614018.db2.gz NPAXTZPTXVADBU-BDAKNGLRSA-N 1 0 319.352 2.471 10 0 DEAERO CCC(CC)n1nc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000180449159 402616835 /nfs/dbraw/zinc/61/68/35/402616835.db2.gz HYHRWFUEICRHGC-HNNXBMFYSA-N 1 0 304.438 2.473 10 0 DEAERO CO[C@@H]1CC[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000249028123 402617670 /nfs/dbraw/zinc/61/76/70/402617670.db2.gz LGXHKOCNRJJQKB-BRWVUGGUSA-N 1 0 319.449 2.026 10 0 DEAERO CCS(=O)(=O)CCCCCN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249072821 402619516 /nfs/dbraw/zinc/61/95/16/402619516.db2.gz LEVGCPGNXIHVDX-LSDHHAIUSA-N 1 0 304.500 2.006 10 0 DEAERO CCS(=O)(=O)c1ccc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000249100585 402620789 /nfs/dbraw/zinc/62/07/89/402620789.db2.gz PIKSOMDSYXKAGT-XJKSGUPXSA-N 1 0 308.447 2.011 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)o1 ZINC000249127136 402621476 /nfs/dbraw/zinc/62/14/76/402621476.db2.gz RAVOTRVJUWEFPH-GXTWGEPZSA-N 1 0 323.437 2.136 10 0 DEAERO O=C(Nc1ccc2oc(=O)ccc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171806835 402624117 /nfs/dbraw/zinc/62/41/17/402624117.db2.gz MASYKSZVFPFYRQ-CQSZACIVSA-N 1 0 313.357 2.105 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(F)ccc2Cl)C[C@H]1C ZINC000249257361 402624531 /nfs/dbraw/zinc/62/45/31/402624531.db2.gz GXQQIJYNEBHXEO-NEPJUHHUSA-N 1 0 300.805 2.366 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC(C)(C)C2)C1 ZINC000171866183 402630201 /nfs/dbraw/zinc/63/02/01/402630201.db2.gz GIDUEKZOFWLTLS-OAHLLOKOSA-N 1 0 311.470 2.175 10 0 DEAERO CCc1ccccc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000249466935 402630286 /nfs/dbraw/zinc/63/02/86/402630286.db2.gz QRBJFOOLPJEWEM-UKRRQHHQSA-N 1 0 308.447 2.106 10 0 DEAERO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)C[C@@H](O)C1CCCCC1 ZINC000190902949 402630508 /nfs/dbraw/zinc/63/05/08/402630508.db2.gz JTJFHWPLHXTPJT-RHSMWYFYSA-N 1 0 304.434 2.476 10 0 DEAERO C[C@H](C1CC1)N(C(=O)C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1)C1CC1 ZINC000249600171 402636341 /nfs/dbraw/zinc/63/63/41/402636341.db2.gz XXUSTPCPXUGXMY-HBUWYVDXSA-N 1 0 308.466 2.259 10 0 DEAERO C[C@@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1cccc(O)c1 ZINC000191023957 402637052 /nfs/dbraw/zinc/63/70/52/402637052.db2.gz XRKJRLUAKDYOCF-UMVBOHGHSA-N 1 0 303.406 2.331 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)c1ccc(F)cc1 ZINC000171908355 402632952 /nfs/dbraw/zinc/63/29/52/402632952.db2.gz RVVGQZMYPKYYGT-OAHLLOKOSA-N 1 0 309.385 2.082 10 0 DEAERO O[C@@H](CC1CCCC1)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000190981911 402634610 /nfs/dbraw/zinc/63/46/10/402634610.db2.gz LOXZCVSQUWXWFK-SFHVURJKSA-N 1 0 303.450 2.140 10 0 DEAERO CC[C@]1(CO)CCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000190983755 402634653 /nfs/dbraw/zinc/63/46/53/402634653.db2.gz OPKHWAWCSUXNNM-VMBOVVBDSA-N 1 0 311.470 2.053 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1Cc2ccccc21 ZINC000249686424 402638164 /nfs/dbraw/zinc/63/81/64/402638164.db2.gz IKBFJBSECKREKX-GDBMZVCRSA-N 1 0 301.434 2.500 10 0 DEAERO COc1ccc(C[N@@H+]2CCCN(Cc3cocn3)CC2)cc1 ZINC000191059569 402639383 /nfs/dbraw/zinc/63/93/83/402639383.db2.gz JJNKDGXYUURIRN-UHFFFAOYSA-N 1 0 301.390 2.391 10 0 DEAERO O[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249866015 402643069 /nfs/dbraw/zinc/64/30/69/402643069.db2.gz HYJAURCAAHAANF-ZWKOTPCHSA-N 1 0 311.429 2.419 10 0 DEAERO CO[C@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000172160204 402643455 /nfs/dbraw/zinc/64/34/55/402643455.db2.gz DXTSLYRXSXCOJJ-HNNXBMFYSA-N 1 0 323.412 2.208 10 0 DEAERO COC[C@@H](C)CNc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000249987409 402644018 /nfs/dbraw/zinc/64/40/18/402644018.db2.gz ZHGMLYBBCDOEBD-GOEBONIOSA-N 1 0 319.449 2.078 10 0 DEAERO C[C@H]1OCCC[C@H]1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000191140179 402644725 /nfs/dbraw/zinc/64/47/25/402644725.db2.gz DZNYVETZJSEGQG-RHSMWYFYSA-N 1 0 320.433 2.058 10 0 DEAERO CCC[NH+]1CCC(N(C)Cc2nnc(C3CCC3)n2C)CC1 ZINC000181410724 402644938 /nfs/dbraw/zinc/64/49/38/402644938.db2.gz CKXSGJCBGKXVTR-UHFFFAOYSA-N 1 0 305.470 2.389 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000252537927 402658255 /nfs/dbraw/zinc/65/82/55/402658255.db2.gz BVUQGZAQZXJXDB-RDJZCZTQSA-N 1 0 324.513 2.375 10 0 DEAERO COc1ccc(F)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1OC ZINC000191160292 402647112 /nfs/dbraw/zinc/64/71/12/402647112.db2.gz GBKCAAFWAFWNJV-RYUDHWBXSA-N 1 0 324.396 2.398 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3cccc(OC)c23)C1 ZINC000181606274 402651510 /nfs/dbraw/zinc/65/15/10/402651510.db2.gz HUMNCYUKOOLMMB-AWEZNQCLSA-N 1 0 315.417 2.320 10 0 DEAERO CN1C(=O)C[C@@H](NCc2ccon2)[C@@H]1c1ccc(Cl)cc1 ZINC000192150483 402714674 /nfs/dbraw/zinc/71/46/74/402714674.db2.gz VYIBLJMNGLMWGD-HIFRSBDPSA-N 1 0 305.765 2.390 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCCC[C@H]3C)C2=O)n(C)n1 ZINC000252734452 402660743 /nfs/dbraw/zinc/66/07/43/402660743.db2.gz MUBNSENNRRISAW-SNPRPXQTSA-N 1 0 304.438 2.392 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(COC)cs1 ZINC000181995257 402663336 /nfs/dbraw/zinc/66/33/36/402663336.db2.gz QYPKBQFKPQVTCU-QWHCGFSZSA-N 1 0 324.450 2.380 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(c2ccc3cc(OC)ccc3n2)CC1 ZINC000172761559 402674407 /nfs/dbraw/zinc/67/44/07/402674407.db2.gz XCHVNTHNIXSGJX-OAHLLOKOSA-N 1 0 315.417 2.136 10 0 DEAERO Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)nc(-c2ccncc2)n1 ZINC000172773106 402674830 /nfs/dbraw/zinc/67/48/30/402674830.db2.gz HYWFUUKURYUNCE-INIZCTEOSA-N 1 0 307.401 2.298 10 0 DEAERO CC[C@@H]1CN(C(=O)/C=C\c2cccc(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000255007547 402675445 /nfs/dbraw/zinc/67/54/45/402675445.db2.gz OVCAKSOORQZYIB-MBPXDVQNSA-N 1 0 320.408 2.143 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)CCS2 ZINC000191516735 402675487 /nfs/dbraw/zinc/67/54/87/402675487.db2.gz RMHVPVIZBNFHBM-BXUZGUMPSA-N 1 0 306.431 2.443 10 0 DEAERO Cc1ccc(N2CC[C@@H](N3CCC[N@@H+](C4CC4)CC3)C2=O)cc1 ZINC000172811015 402677496 /nfs/dbraw/zinc/67/74/96/402677496.db2.gz UQIWQNDPQYXZCT-GOSISDBHSA-N 1 0 313.445 2.270 10 0 DEAERO CSCC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000182303723 402679564 /nfs/dbraw/zinc/67/95/64/402679564.db2.gz VIYSCYUAUKIXPI-UHFFFAOYSA-N 1 0 322.474 2.183 10 0 DEAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)C3CCCC3)C2=O)n(C)n1 ZINC000182341399 402682596 /nfs/dbraw/zinc/68/25/96/402682596.db2.gz OZTNLFDXQWDLEA-DZGCQCFKSA-N 1 0 304.438 2.392 10 0 DEAERO O=C(CC[N@@H+]1CCCC[C@H]1CN1CCOCC1)c1ccccc1 ZINC000182368836 402684751 /nfs/dbraw/zinc/68/47/51/402684751.db2.gz NAKCYDNNHPXFNP-SFHVURJKSA-N 1 0 316.445 2.446 10 0 DEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000182380867 402685047 /nfs/dbraw/zinc/68/50/47/402685047.db2.gz TZRSJIQWRCYNMQ-GFCCVEGCSA-N 1 0 318.343 2.002 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000173256660 402689693 /nfs/dbraw/zinc/68/96/93/402689693.db2.gz IVHPBQWSNVWDKE-BBRMVZONSA-N 1 0 322.497 2.308 10 0 DEAERO CC[C@H]1CN(C(=O)[C@H](C)c2ccccc2)CC[N@@H+]1CCOC ZINC000182448724 402691024 /nfs/dbraw/zinc/69/10/24/402691024.db2.gz KTNGZGJOOBLMPP-WBVHZDCISA-N 1 0 304.434 2.359 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccnc(F)c1 ZINC000182519060 402696290 /nfs/dbraw/zinc/69/62/90/402696290.db2.gz KZSBTRLLLIYUPJ-ZDUSSCGKSA-N 1 0 301.365 2.471 10 0 DEAERO Cc1nnc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1C1CC1 ZINC000173938734 402720669 /nfs/dbraw/zinc/72/06/69/402720669.db2.gz IAZOLOZPMKPXAY-CVEARBPZSA-N 1 0 303.454 2.369 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000173446926 402697717 /nfs/dbraw/zinc/69/77/17/402697717.db2.gz XOYJZWCOFFRHJN-UHFFFAOYSA-N 1 0 321.469 2.022 10 0 DEAERO C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1cccs1 ZINC000182560099 402699757 /nfs/dbraw/zinc/69/97/57/402699757.db2.gz FKQYUYZHCIFEHX-NSHDSACASA-N 1 0 307.419 2.263 10 0 DEAERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000173490774 402700056 /nfs/dbraw/zinc/70/00/56/402700056.db2.gz ADRYIRLHYNDJAT-XJKSGUPXSA-N 1 0 320.481 2.349 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(Cc2coc(-c3cccs3)n2)CC1 ZINC000174081178 402726364 /nfs/dbraw/zinc/72/63/64/402726364.db2.gz OOZIBZFKPCUONN-AWEZNQCLSA-N 1 0 321.446 2.292 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2Oc3ccccc3[C@H]2C)C1 ZINC000174121176 402727574 /nfs/dbraw/zinc/72/75/74/402727574.db2.gz MOWDZOQUGWCBPL-CPUCHLNUSA-N 1 0 302.418 2.494 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@H](O)C2)CC1 ZINC000174163644 402729526 /nfs/dbraw/zinc/72/95/26/402729526.db2.gz FEWNVACTDKKJCE-ZFWWWQNUSA-N 1 0 311.470 2.100 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000262765628 402730624 /nfs/dbraw/zinc/73/06/24/402730624.db2.gz KRVKJDNMSNXDNF-UFBFGSQYSA-N 1 0 323.245 2.270 10 0 DEAERO CCc1cnc(CCNC(=O)N[C@@H]2CCC[N@@H+](CC)C2)s1 ZINC000174232546 402732790 /nfs/dbraw/zinc/73/27/90/402732790.db2.gz ZBVOWUHHELPVSF-GFCCVEGCSA-N 1 0 310.467 2.032 10 0 DEAERO C[C@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1cccc(O)c1 ZINC000262812355 402733479 /nfs/dbraw/zinc/73/34/79/402733479.db2.gz QIJKVBGFSKVCGX-GXTWGEPZSA-N 1 0 314.389 2.004 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000174296085 402735634 /nfs/dbraw/zinc/73/56/34/402735634.db2.gz YWRMKQYRXNIMDU-HNNXBMFYSA-N 1 0 311.376 2.319 10 0 DEAERO CCc1ccc(CCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000174349918 402737353 /nfs/dbraw/zinc/73/73/53/402737353.db2.gz UISCEWXXPXWADL-HZPDHXFCSA-N 1 0 318.461 2.095 10 0 DEAERO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2nc(COC)cs2)C1 ZINC000174410304 402739893 /nfs/dbraw/zinc/73/98/93/402739893.db2.gz RFPUPNKOQMHHKY-NSHDSACASA-N 1 0 312.439 2.143 10 0 DEAERO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000192622379 402741068 /nfs/dbraw/zinc/74/10/68/402741068.db2.gz OJFLHIJTDYFIIQ-ZIAGYGMSSA-N 1 0 315.421 2.223 10 0 DEAERO CCc1cnc(CCNC(=O)C2CC[NH+](C3CC3)CC2)s1 ZINC000192632991 402741895 /nfs/dbraw/zinc/74/18/95/402741895.db2.gz WDQFJGLVJKMOBJ-UHFFFAOYSA-N 1 0 307.463 2.239 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(C23CC4CC(CC(C4)C2)C3)n1 ZINC000263179819 402746501 /nfs/dbraw/zinc/74/65/01/402746501.db2.gz GPFYDQHJRFGZRE-ZZTKBFGJSA-N 1 0 302.422 2.114 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000263169311 402746568 /nfs/dbraw/zinc/74/65/68/402746568.db2.gz FOIVYOOQUYHTKR-OUAUKWLOSA-N 1 0 318.343 2.482 10 0 DEAERO C[C@H](Cc1nc([C@@H]2C[NH2+]CCN2C)no1)c1cccc(F)c1 ZINC000263174521 402746606 /nfs/dbraw/zinc/74/66/06/402746606.db2.gz GBQZGMCXKSRGAW-RISCZKNCSA-N 1 0 304.369 2.131 10 0 DEAERO CC[C@@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1nccn1C ZINC000183220758 402748034 /nfs/dbraw/zinc/74/80/34/402748034.db2.gz ITNJWVIGUZSMRA-CHWSQXEVSA-N 1 0 302.426 2.191 10 0 DEAERO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccnn1C ZINC000192750825 402748163 /nfs/dbraw/zinc/74/81/63/402748163.db2.gz YYALBOLHORBWST-AWEZNQCLSA-N 1 0 312.417 2.376 10 0 DEAERO CC[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)CC[N@@H+]1C[C@@H](C)O ZINC000174612390 402748567 /nfs/dbraw/zinc/74/85/67/402748567.db2.gz YSLDDJNHYIKAOB-RDTXWAMCSA-N 1 0 316.445 2.093 10 0 DEAERO CC[C@H]1CN(C(=O)Cc2ccc(Cl)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174639835 402750056 /nfs/dbraw/zinc/75/00/56/402750056.db2.gz WGYUXGALODWQFP-CJNGLKHVSA-N 1 0 324.852 2.186 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@]2(C)CCCc3ccccc32)n1 ZINC000263250916 402750713 /nfs/dbraw/zinc/75/07/13/402750713.db2.gz PWFNIGLJPVNYIY-QAPCUYQASA-N 1 0 312.417 2.288 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000174665263 402751223 /nfs/dbraw/zinc/75/12/23/402751223.db2.gz RLDUNMIZYILLFC-UHFFFAOYSA-N 1 0 320.433 2.239 10 0 DEAERO C/C(=C\c1ccc(F)cc1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263268832 402752585 /nfs/dbraw/zinc/75/25/85/402752585.db2.gz RXFJCTMVLOZLHK-MARXPDLDSA-N 1 0 302.353 2.345 10 0 DEAERO COc1ccc2nc(N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)ccc2c1 ZINC000174732396 402753736 /nfs/dbraw/zinc/75/37/36/402753736.db2.gz GTQAVKKSTAHOFJ-UONOGXRCSA-N 1 0 315.417 2.135 10 0 DEAERO Cc1ccc(CSCc2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263283906 402754443 /nfs/dbraw/zinc/75/44/43/402754443.db2.gz USIJVZXTMABJEP-AWEZNQCLSA-N 1 0 318.446 2.388 10 0 DEAERO NC(=O)N1CCC([NH2+]CCCn2ccc3ccccc32)CC1 ZINC000192951842 402758023 /nfs/dbraw/zinc/75/80/23/402758023.db2.gz UAHLOLYTTMEJKN-UHFFFAOYSA-N 1 0 300.406 2.164 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC2CCCC2)C1 ZINC000193157500 402767574 /nfs/dbraw/zinc/76/75/74/402767574.db2.gz DGFKHKAZUMRRAI-MRXNPFEDSA-N 1 0 311.470 2.223 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc2c(c1)OCO2 ZINC000174974437 402768029 /nfs/dbraw/zinc/76/80/29/402768029.db2.gz MUKQQCMYLLJMGR-LSDHHAIUSA-N 1 0 316.401 2.043 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1cccc(C)c1 ZINC000174969709 402768086 /nfs/dbraw/zinc/76/80/86/402768086.db2.gz POYNEXGZLYJYMM-JKSUJKDBSA-N 1 0 302.418 2.459 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc2ccccc2[nH]c1=O ZINC000193268727 402769383 /nfs/dbraw/zinc/76/93/83/402769383.db2.gz LIEWUQICZJVLCR-CQSZACIVSA-N 1 0 315.417 2.234 10 0 DEAERO C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262337197 402724551 /nfs/dbraw/zinc/72/45/51/402724551.db2.gz ZMQQDIOXWWLUAZ-YCPHGPKFSA-N 1 0 301.434 2.371 10 0 DEAERO Cc1cc(NC(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)n(C)n1 ZINC000192367235 402725128 /nfs/dbraw/zinc/72/51/28/402725128.db2.gz FGIVXCCAAROKDE-AWEZNQCLSA-N 1 0 314.389 2.040 10 0 DEAERO CCNC(=O)CC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183686364 402788780 /nfs/dbraw/zinc/78/87/80/402788780.db2.gz FZJMWUAUOMTHKF-ZDUSSCGKSA-N 1 0 300.406 2.358 10 0 DEAERO CC1CCC([NH+]2CCN(C(=O)[C@@H]3CCOC[C@H]3C)CC2)CC1 ZINC000194374738 402794760 /nfs/dbraw/zinc/79/47/60/402794760.db2.gz FXDQHVKOZDJHNW-MNAZLIDISA-N 1 0 308.466 2.382 10 0 DEAERO COc1ccc(S[C@@H](C)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195335543 402842591 /nfs/dbraw/zinc/84/25/91/402842591.db2.gz UXBFYWDTHXEREU-UONOGXRCSA-N 1 0 320.458 2.482 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1F ZINC000175394652 402802384 /nfs/dbraw/zinc/80/23/84/402802384.db2.gz GXRICWJQWUDQFL-GFCCVEGCSA-N 1 0 318.389 2.070 10 0 DEAERO CC(C)OCC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183878304 402803076 /nfs/dbraw/zinc/80/30/76/402803076.db2.gz MBIOAGRREYDXRQ-ZDUSSCGKSA-N 1 0 302.212 2.497 10 0 DEAERO C[C@H]1COCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000194628044 402806152 /nfs/dbraw/zinc/80/61/52/402806152.db2.gz MVYONTVEXGPDJH-ZFWWWQNUSA-N 1 0 310.463 2.311 10 0 DEAERO COc1ccc(S[C@H](C)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000194692160 402810637 /nfs/dbraw/zinc/81/06/37/402810637.db2.gz SSTZJQUVLBQWGW-OLZOCXBDSA-N 1 0 308.447 2.386 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000194702209 402811289 /nfs/dbraw/zinc/81/12/89/402811289.db2.gz IVDGPBVMQZXLJM-KCXAZCMYSA-N 1 0 315.417 2.105 10 0 DEAERO Cc1[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2C)c(C)c1C(=O)OC(C)C ZINC000194730193 402813118 /nfs/dbraw/zinc/81/31/18/402813118.db2.gz SBPQHNHZQGOKDE-ZDUSSCGKSA-N 1 0 321.421 2.021 10 0 DEAERO CCOc1ccccc1OCCCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000194735097 402813921 /nfs/dbraw/zinc/81/39/21/402813921.db2.gz IIKCWUGOYUDVTP-HNNXBMFYSA-N 1 0 320.433 2.455 10 0 DEAERO C[C@H]1C[NH+](CCC2CCN(C(=O)NC3CC3)CC2)C[C@H](C)O1 ZINC000175621140 402822147 /nfs/dbraw/zinc/82/21/47/402822147.db2.gz UIBFNHLMRBVQFS-KBPBESRZSA-N 1 0 309.454 2.070 10 0 DEAERO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCO1 ZINC000175632604 402822872 /nfs/dbraw/zinc/82/28/72/402822872.db2.gz NFQQZLXEJUHWHQ-CZUORRHYSA-N 1 0 309.454 2.260 10 0 DEAERO COC[C@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccc(C)o1 ZINC000175659207 402823949 /nfs/dbraw/zinc/82/39/49/402823949.db2.gz HBCDMIHIWGZPFK-HNNXBMFYSA-N 1 0 321.421 2.155 10 0 DEAERO Cn1c2ccc(C[N@H+](C)C[C@@H]3CCC[C@@H]3O)cc2sc1=O ZINC000195043110 402828127 /nfs/dbraw/zinc/82/81/27/402828127.db2.gz GKAVVVXHXXNKOV-JSGCOSHPSA-N 1 0 306.431 2.193 10 0 DEAERO O=C(COc1ccc(Cl)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195092921 402830883 /nfs/dbraw/zinc/83/08/83/402830883.db2.gz OEEFWUYRJGHWKP-CQSZACIVSA-N 1 0 308.809 2.416 10 0 DEAERO CCC[C@@H](C(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1)[NH+](C)C ZINC000184283633 402832538 /nfs/dbraw/zinc/83/25/38/402832538.db2.gz DNUDAGWIHZYYLC-GJZGRUSLSA-N 1 0 312.454 2.297 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000264043292 402833903 /nfs/dbraw/zinc/83/39/03/402833903.db2.gz SPOJTSCKMHQUBE-SNVBAGLBSA-N 1 0 313.304 2.176 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CC[C@@H]1CCOC1 ZINC000175834661 402836732 /nfs/dbraw/zinc/83/67/32/402836732.db2.gz CCHKUCRVYZONLZ-IAGOWNOFSA-N 1 0 304.434 2.092 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[C@@H]1CCCCO1 ZINC000184390989 402840061 /nfs/dbraw/zinc/84/00/61/402840061.db2.gz WHRQREARHMFJFP-OAGGEKHMSA-N 1 0 309.454 2.214 10 0 DEAERO CCOC(=O)CNc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000194100965 402783955 /nfs/dbraw/zinc/78/39/55/402783955.db2.gz IJKNQGGKJLAGGV-UHFFFAOYSA-N 1 0 305.422 2.192 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(O)c(F)c1 ZINC000175190516 402786553 /nfs/dbraw/zinc/78/65/53/402786553.db2.gz ZFLRWQZYWCGJGV-UONOGXRCSA-N 1 0 321.396 2.300 10 0 DEAERO CCn1c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)nc2cc(F)ccc21 ZINC000175210304 402788161 /nfs/dbraw/zinc/78/81/61/402788161.db2.gz IRPBZQQTYRRSEQ-GFCCVEGCSA-N 1 0 318.396 2.283 10 0 DEAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000175993273 402846842 /nfs/dbraw/zinc/84/68/42/402846842.db2.gz KFRVEGFDJMMLFX-KRWDZBQOSA-N 1 0 312.417 2.030 10 0 DEAERO CCOc1cccnc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000176000312 402847366 /nfs/dbraw/zinc/84/73/66/402847366.db2.gz VQASNYIWRQRCMX-UHFFFAOYSA-N 1 0 313.401 2.472 10 0 DEAERO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506568 402848025 /nfs/dbraw/zinc/84/80/25/402848025.db2.gz VOBKRVIODGFNLE-CQSZACIVSA-N 1 0 312.417 2.294 10 0 DEAERO CCN(CCO)CC[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000184537047 402850005 /nfs/dbraw/zinc/85/00/05/402850005.db2.gz BLNQVMMRDKVBEU-UHFFFAOYSA-N 1 0 317.408 2.292 10 0 DEAERO CC(=O)N1CC[N@H+](Cc2nc(C)ccc2O)CC12CCCCC2 ZINC000271326838 402858521 /nfs/dbraw/zinc/85/85/21/402858521.db2.gz ZVJSMUANLHGSBH-UHFFFAOYSA-N 1 0 317.433 2.463 10 0 DEAERO CC[N@@H+]1CCCN(C(=O)Nc2ccc3nc(C)cn3c2)CC1 ZINC000271485176 402875574 /nfs/dbraw/zinc/87/55/74/402875574.db2.gz BKIUGNYAPSUABB-UHFFFAOYSA-N 1 0 301.394 2.202 10 0 DEAERO c1cc(C[NH2+]CCN2CCSCC2)n(-c2ccccc2)n1 ZINC000279160295 402910733 /nfs/dbraw/zinc/91/07/33/402910733.db2.gz PRLFOAHQBSSHJA-UHFFFAOYSA-N 1 0 302.447 2.011 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000280823186 403040657 /nfs/dbraw/zinc/04/06/57/403040657.db2.gz UGSDYQQQHOICNJ-CHWSQXEVSA-N 1 0 307.442 2.490 10 0 DEAERO COc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1 ZINC000268344805 403075321 /nfs/dbraw/zinc/07/53/21/403075321.db2.gz HISTYSPYGCULTO-AAEUAGOBSA-N 1 0 306.410 2.345 10 0 DEAERO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000275717107 403117898 /nfs/dbraw/zinc/11/78/98/403117898.db2.gz YUEFHEKEVLMAST-ZNMIVQPWSA-N 1 0 316.449 2.126 10 0 DEAERO Cn1cncc1[C@@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)CCO1 ZINC000275715362 403118152 /nfs/dbraw/zinc/11/81/52/403118152.db2.gz YQLBOJRWIOCOCZ-YOEHRIQHSA-N 1 0 311.389 2.078 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000277890517 403268267 /nfs/dbraw/zinc/26/82/67/403268267.db2.gz OMXNVHMATHCWJD-BFQNTYOBSA-N 1 0 304.390 2.231 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H]2CCOC[C@H]2C)c1C ZINC000277963944 403275313 /nfs/dbraw/zinc/27/53/13/403275313.db2.gz SFLXYWJATIITPU-LQJRIPTKSA-N 1 0 306.406 2.420 10 0 DEAERO CN(c1ncncc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286369035 403509576 /nfs/dbraw/zinc/50/95/76/403509576.db2.gz MLTDPWPZUWSMPT-ZACCUICWSA-N 1 0 311.227 2.301 10 0 DEAERO COc1ccc([C@H](C)C[N@H+](CCO)C2CCN(C)CC2)cc1 ZINC000183377885 286366870 /nfs/dbraw/zinc/36/68/70/286366870.db2.gz ABACXDXFHQHBNG-OAHLLOKOSA-N 1 0 306.450 2.187 10 0 DEAERO c1cnn(Cc2ccccc2C[NH2+]Cc2cn3cccnc3n2)c1 ZINC000343629549 403669862 /nfs/dbraw/zinc/66/98/62/403669862.db2.gz JOPXQMFGFGOGPY-UHFFFAOYSA-N 1 0 318.384 2.264 10 0 DEAERO Cc1cccc2c(NC[C@@H](C)C[NH+]3CCOCC3)ncnc12 ZINC000301725792 403670260 /nfs/dbraw/zinc/67/02/60/403670260.db2.gz PWRWSTMJBJLAFJ-CYBMUJFWSA-N 1 0 300.406 2.318 10 0 DEAERO Cc1ccnc(-c2cccc(NC(=O)N3CC[C@H]([NH3+])[C@@H]3C)c2)n1 ZINC000333148469 403677883 /nfs/dbraw/zinc/67/78/83/403677883.db2.gz MCSRGAAFXZRXOL-WFASDCNBSA-N 1 0 311.389 2.405 10 0 DEAERO C[C@H](NC(=O)Nc1ccc2c(c1)N(C)CC2)[C@@H]1CCC[NH2+]C1 ZINC000333198951 403692237 /nfs/dbraw/zinc/69/22/37/403692237.db2.gz WZYOFXPPMIXAKW-GXTWGEPZSA-N 1 0 302.422 2.189 10 0 DEAERO CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCc3nnnn3CC2)s1 ZINC000333324349 403724724 /nfs/dbraw/zinc/72/47/24/403724724.db2.gz AAOUAAQHJCFQGH-ONGXEEELSA-N 1 0 306.439 2.056 10 0 DEAERO CC[N@H+](C)[C@H]1CCN(c2ncnc3nc(SC)sc32)C1 ZINC000302835304 403732272 /nfs/dbraw/zinc/73/22/72/403732272.db2.gz VBJDRAHCXQJGJK-VIFPVBQESA-N 1 0 309.464 2.339 10 0 DEAERO COc1nccc2cc(NC(=O)N3CC[C@H]([NH3+])[C@@H]3C)ccc21 ZINC000333360364 403733749 /nfs/dbraw/zinc/73/37/49/403733749.db2.gz SSZRCRNIKHKKEB-HZMBPMFUSA-N 1 0 300.362 2.197 10 0 DEAERO NC(=O)C1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000302872339 403737865 /nfs/dbraw/zinc/73/78/65/403737865.db2.gz OICCNGCLPLMKTB-UHFFFAOYSA-N 1 0 315.461 2.285 10 0 DEAERO Cc1nn(C)c2cc(NC(=O)N[C@@H]3CCCC[NH2+]C3)ccc12 ZINC000333399914 403743713 /nfs/dbraw/zinc/74/37/13/403743713.db2.gz YOJMEKLWEJJOMH-CYBMUJFWSA-N 1 0 301.394 2.145 10 0 DEAERO CC(C)c1nnc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000333472339 403759880 /nfs/dbraw/zinc/75/98/80/403759880.db2.gz AXPQEYFMZXUDRD-CHWSQXEVSA-N 1 0 310.467 2.384 10 0 DEAERO CC(=O)[C@](C)(O)C[N@H+](C)CCc1ccc(Br)cc1 ZINC000347739190 403835925 /nfs/dbraw/zinc/83/59/25/403835925.db2.gz PIYYAVWNKJGGFH-CQSZACIVSA-N 1 0 314.223 2.263 10 0 DEAERO c1ccc2c(c1)SCC[C@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333686489 403816053 /nfs/dbraw/zinc/81/60/53/403816053.db2.gz 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DPVIEBYTRAGTQX-RHSMWYFYSA-N 1 0 313.486 2.346 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCC[NH2+]C(C)(C)C)CC2 ZINC000366670419 404829262 /nfs/dbraw/zinc/82/92/62/404829262.db2.gz ARUHXWYIEWGXQG-GFCCVEGCSA-N 1 0 306.454 2.142 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](CCCc2cccc(F)c2)CC12COC2 ZINC000451132993 404874503 /nfs/dbraw/zinc/87/45/03/404874503.db2.gz JKOJTQYPAZNBBX-MRXNPFEDSA-N 1 0 321.392 2.270 10 0 DEAERO C[C@H](c1ccco1)N(C)C(=O)NC[C@@H]1CCc2nccn2C1 ZINC000378457920 404970075 /nfs/dbraw/zinc/97/00/75/404970075.db2.gz DVNFANADUIXJNZ-OLZOCXBDSA-N 1 0 302.378 2.441 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)COc2ccccc2O)CC1 ZINC000435960398 405032572 /nfs/dbraw/zinc/03/25/72/405032572.db2.gz ZTEPIVWDMNYYBR-UHFFFAOYSA-N 1 0 320.433 2.351 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN1c1ccnc2cc(Br)cnc21 ZINC000385186328 405033868 /nfs/dbraw/zinc/03/38/68/405033868.db2.gz KWMUDMPCRPTDIO-SCZZXKLOSA-N 1 0 307.195 2.318 10 0 DEAERO COC[C@@H](O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000367606444 405100523 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C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000408351560 405183588 /nfs/dbraw/zinc/18/35/88/405183588.db2.gz GFIPEQFUQJDQDM-VBQJREDUSA-N 1 0 318.417 2.165 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2O)OC(C)(C)C3)CC[N@@H+]1C ZINC000408410590 405200728 /nfs/dbraw/zinc/20/07/28/405200728.db2.gz VCFIFIAMXSZUQM-YPMHNXCESA-N 1 0 318.417 2.318 10 0 DEAERO C[C@@H](C(=O)NCCNc1cc[nH+]cc1)c1ccc(F)c(F)c1 ZINC000439069963 405264261 /nfs/dbraw/zinc/26/42/61/405264261.db2.gz VLMKLAAIASJBIK-LLVKDONJSA-N 1 0 305.328 2.114 10 0 DEAERO C[NH+](C)CCCCNC(=O)c1ncccc1OCC(F)(F)F ZINC000438079738 405230727 /nfs/dbraw/zinc/23/07/27/405230727.db2.gz XXSNJTSHMBIQFH-UHFFFAOYSA-N 1 0 319.327 2.094 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000420353166 405329162 /nfs/dbraw/zinc/32/91/62/405329162.db2.gz ZZEYAWTZNGXWAC-AFAVFJNCSA-N 1 0 315.417 2.043 10 0 DEAERO c1nc2c(ncnc2NCCC[NH2+]Cc2cccnc2)n1C1CC1 ZINC000420179151 405291957 /nfs/dbraw/zinc/29/19/57/405291957.db2.gz FSWILOZWNYZSCY-UHFFFAOYSA-N 1 0 323.404 2.148 10 0 DEAERO c1cc(C[N@@H+]2CCCSCC2)ccc1CN1CCOCC1 ZINC000420932465 405408658 /nfs/dbraw/zinc/40/86/58/405408658.db2.gz HDUAHWOYNSACLQ-UHFFFAOYSA-N 1 0 306.475 2.458 10 0 DEAERO CC(C)[C@H](NC(=O)Nc1ccnn1CC[NH+](C)C)C(F)(F)F ZINC000455652916 405439982 /nfs/dbraw/zinc/43/99/82/405439982.db2.gz CRDSQWHAMCZKFR-NSHDSACASA-N 1 0 321.347 2.153 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCCc2ccc(F)cc2F)CC1 ZINC000577569044 405468542 /nfs/dbraw/zinc/46/85/42/405468542.db2.gz YVIMFPMNEZYCTB-UHFFFAOYSA-N 1 0 323.387 2.459 10 0 DEAERO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C)sc2C)CC12COC2 ZINC000449367471 405530010 /nfs/dbraw/zinc/53/00/10/405530010.db2.gz WMVUBOHTOVVOJC-CQSZACIVSA-N 1 0 309.431 2.376 10 0 DEAERO [NH3+]C1(CNC(=O)c2cc(Cl)sc2Cl)CCOCC1 ZINC000638537777 405535128 /nfs/dbraw/zinc/53/51/28/405535128.db2.gz FLWWKAOAHRWSKA-UHFFFAOYSA-N 1 0 309.218 2.293 10 0 DEAERO COc1ccc(CCC(=O)N(C)CCC[NH+](C)C)cc1OC ZINC000557663651 405619795 /nfs/dbraw/zinc/61/97/95/405619795.db2.gz GEEMSUWLVQZUIW-UHFFFAOYSA-N 1 0 308.422 2.047 10 0 DEAERO C[C@H]1CC[C@@H](NC(=O)Cc2cccc(Br)c2)C[NH2+]1 ZINC000638651807 405595422 /nfs/dbraw/zinc/59/54/22/405595422.db2.gz HAQDKMXRFZMRNZ-GXFFZTMASA-N 1 0 311.223 2.248 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)c2sccc2Br)C[NH2+]1 ZINC000638651886 405595931 /nfs/dbraw/zinc/59/59/31/405595931.db2.gz HSALQGJOQKIASN-HTQZYQBOSA-N 1 0 303.225 2.381 10 0 DEAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1ccc2cc[nH]c2n1 ZINC000458799224 405598455 /nfs/dbraw/zinc/59/84/55/405598455.db2.gz ZOAKAQDBPXEARP-OAHLLOKOSA-N 1 0 315.421 2.189 10 0 DEAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1 ZINC000580545174 405639961 /nfs/dbraw/zinc/63/99/61/405639961.db2.gz FYVLMGXOOHYBHX-RDJZCZTQSA-N 1 0 321.417 2.176 10 0 DEAERO c1ccc(N2CC[C@H](C[NH2+]CCCO[C@@H]3CCOC3)C2)cc1 ZINC000638741640 405642808 /nfs/dbraw/zinc/64/28/08/405642808.db2.gz ICZBBOYNJHLDFL-SJLPKXTDSA-N 1 0 304.434 2.298 10 0 DEAERO [NH3+][C@@H]1CCCCCN(C(=O)c2ncccc2Br)C1 ZINC000638838098 405704073 /nfs/dbraw/zinc/70/40/73/405704073.db2.gz LZMASQZILMFKTD-SNVBAGLBSA-N 1 0 312.211 2.188 10 0 DEAERO C(c1nc(C2CCOCC2)no1)C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000528713546 405719132 /nfs/dbraw/zinc/71/91/32/405719132.db2.gz CAGHXJFFBGWASS-OAHLLOKOSA-N 1 0 321.421 2.007 10 0 DEAERO COc1nsc(C[NH2+]CCN2CCCC2)c1Br ZINC000638866520 405726835 /nfs/dbraw/zinc/72/68/35/405726835.db2.gz XUJHQDQKFOAQBW-UHFFFAOYSA-N 1 0 320.256 2.100 10 0 DEAERO C[C@@H]1CN(C(=O)CSc2ccc(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000638884657 405739698 /nfs/dbraw/zinc/73/96/98/405739698.db2.gz DLIYJCMSZSPMRN-ZJUUUORDSA-N 1 0 300.374 2.110 10 0 DEAERO C[C@H]1CN(C(=O)c2sccc2Br)C[C@H]1C[NH3+] ZINC000638885609 405740888 /nfs/dbraw/zinc/74/08/88/405740888.db2.gz CWOJWHFQWIXWLG-JGVFFNPUSA-N 1 0 303.225 2.177 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC(C)(C)C[NH+](C)C)CC2 ZINC000457207156 405752366 /nfs/dbraw/zinc/75/23/66/405752366.db2.gz BBAITZMOFDGEHM-GFCCVEGCSA-N 1 0 306.454 2.094 10 0 DEAERO COC1(C[C@H](C)[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CCC1 ZINC000583619498 405776609 /nfs/dbraw/zinc/77/66/09/405776609.db2.gz SRXJTVGWCHHGTL-LXZKKBNFSA-N 1 0 317.433 2.291 10 0 DEAERO Cc1ccccc1OCC[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000583619714 405776960 /nfs/dbraw/zinc/77/69/60/405776960.db2.gz QEKHMOMNGNMKNW-ZACQAIPSSA-N 1 0 305.418 2.236 10 0 DEAERO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ncccn2)cc1 ZINC000583622082 405778009 /nfs/dbraw/zinc/77/80/09/405778009.db2.gz KJXOGYNHZHNMAZ-FUHWJXTLSA-N 1 0 313.401 2.357 10 0 DEAERO C[C@H](O)CC[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000450228776 405788314 /nfs/dbraw/zinc/78/83/14/405788314.db2.gz VDVPQTUPEBLSAZ-AWEZNQCLSA-N 1 0 312.841 2.107 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000457382234 405819297 /nfs/dbraw/zinc/81/92/97/405819297.db2.gz DAAWOJLNWCOMSG-UHFFFAOYSA-N 1 0 318.417 2.387 10 0 DEAERO Cc1ccc(C[C@@H](CO)NC(=O)CC2CC[NH+](C)CC2)cc1C ZINC000457241890 405765362 /nfs/dbraw/zinc/76/53/62/405765362.db2.gz FEIHKNWVJLLOIK-SFHVURJKSA-N 1 0 318.461 2.055 10 0 DEAERO Cc1noc(C)c1C[NH2+]C[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000583616624 405774615 /nfs/dbraw/zinc/77/46/15/405774615.db2.gz UGGWCFVDYRLTLL-ROUUACIJSA-N 1 0 315.417 2.453 10 0 DEAERO CCn1nncc1CN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000459362302 405871826 /nfs/dbraw/zinc/87/18/26/405871826.db2.gz PXCMWCCTNYWSPW-MRXNPFEDSA-N 1 0 313.449 2.394 10 0 DEAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000450327883 405837461 /nfs/dbraw/zinc/83/74/61/405837461.db2.gz NLIYBLPYZAGUKN-DJIMGWMZSA-N 1 0 304.434 2.142 10 0 DEAERO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450327886 405837848 /nfs/dbraw/zinc/83/78/48/405837848.db2.gz NLIYBLPYZAGUKN-USXIJHARSA-N 1 0 304.434 2.142 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000457466796 405854896 /nfs/dbraw/zinc/85/48/96/405854896.db2.gz WAFLRMIGWKQSEO-CYBMUJFWSA-N 1 0 318.417 2.243 10 0 DEAERO CS(=O)(=O)NCC1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459465460 405915519 /nfs/dbraw/zinc/91/55/19/405915519.db2.gz OMEODCXSUACBML-UHFFFAOYSA-N 1 0 324.437 2.073 10 0 DEAERO O[C@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1)Cn1ccnn1 ZINC000459706594 406013191 /nfs/dbraw/zinc/01/31/91/406013191.db2.gz WBGXSLNKNAKMMY-BZUAXINKSA-N 1 0 320.824 2.218 10 0 DEAERO O[C@H](C[NH2+]CC(c1ccccc1)c1ccccc1)Cn1ccnn1 ZINC000459711712 406015057 /nfs/dbraw/zinc/01/50/57/406015057.db2.gz MHAGKDPHIIQTKH-GOSISDBHSA-N 1 0 322.412 2.061 10 0 DEAERO C([NH2+][C@H]1CCCC[C@H]1C1CC1)C1(N2CCOCC2)CCOCC1 ZINC000459720282 406019988 /nfs/dbraw/zinc/01/99/88/406019988.db2.gz UOMRMBWGCXEVRK-ROUUACIJSA-N 1 0 322.493 2.426 10 0 DEAERO CCn1nnc(C)c1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000562516173 406022001 /nfs/dbraw/zinc/02/20/01/406022001.db2.gz IXBARULUKNZDDQ-OAHLLOKOSA-N 1 0 314.437 2.244 10 0 DEAERO CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2cc(=O)c(O)co2)C1 ZINC000531614476 405985188 /nfs/dbraw/zinc/98/51/88/405985188.db2.gz HWFTZQFATVSXTL-LBPRGKRZSA-N 1 0 323.389 2.289 10 0 DEAERO CCOC(=O)COc1ccc(C[NH+]2CC(C)(CCOC)C2)cc1 ZINC000459638883 405992557 /nfs/dbraw/zinc/99/25/57/405992557.db2.gz URMFDYSMCGFLKP-UHFFFAOYSA-N 1 0 321.417 2.487 10 0 DEAERO CO[C@H]1C[C@H]([NH2+]Cc2c(Br)cnn2C)C12CCC2 ZINC000459786641 406045629 /nfs/dbraw/zinc/04/56/29/406045629.db2.gz PFZRIIOXWRNQRN-RYUDHWBXSA-N 1 0 314.227 2.230 10 0 DEAERO Brc1cnc2c(C[NH2+][C@H]3[C@@H]4CCC[C@@H]43)cnn2c1 ZINC000639324826 406045754 /nfs/dbraw/zinc/04/57/54/406045754.db2.gz MVMNIPOWZHVLSG-GDNZZTSVSA-N 1 0 307.195 2.380 10 0 DEAERO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532124857 406047888 /nfs/dbraw/zinc/04/78/88/406047888.db2.gz JERDMMJYYAVQTB-GJZGRUSLSA-N 1 0 315.454 2.216 10 0 DEAERO C[C@@]1(c2nc(-c3ccc(Br)cc3)no2)C[NH2+]CCO1 ZINC000634558238 406170780 /nfs/dbraw/zinc/17/07/80/406170780.db2.gz TXWKRLHBGKMHQZ-ZDUSSCGKSA-N 1 0 324.178 2.334 10 0 DEAERO c1nc2n(n1)[C@H](C[NH+]1CC(c3nc4ccccc4s3)C1)CC2 ZINC000639555697 406143765 /nfs/dbraw/zinc/14/37/65/406143765.db2.gz REHCQEMXNUFYBZ-LBPRGKRZSA-N 1 0 311.414 2.475 10 0 DEAERO c1csc([C@@H]2CSCCN2C[C@H]2CCc3ncnn32)n1 ZINC000639590555 406159058 /nfs/dbraw/zinc/15/90/58/406159058.db2.gz XRNPRQYSLAZZBA-MNOVXSKESA-N 1 0 307.448 2.012 10 0 DEAERO C[C@@H]1C[C@@H](CC[NH2+]Cc2c(Br)cnn2C)CCO1 ZINC000487567792 406248035 /nfs/dbraw/zinc/24/80/35/406248035.db2.gz BFZBDXKKLWYRFI-MNOVXSKESA-N 1 0 316.243 2.477 10 0 DEAERO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cn3cccnc3n2)c1 ZINC000536217886 406252231 /nfs/dbraw/zinc/25/22/31/406252231.db2.gz NLDMCBXHXXATMV-UHFFFAOYSA-N 1 0 309.373 2.352 10 0 DEAERO O=C(c1ccc(Br)cn1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632857206 406293605 /nfs/dbraw/zinc/29/36/05/406293605.db2.gz BLMCHHFUEDOVAH-MFKMUULPSA-N 1 0 324.222 2.058 10 0 DEAERO COc1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c(C)n1 ZINC000545876562 406330839 /nfs/dbraw/zinc/33/08/39/406330839.db2.gz APPWYZUHXHQYPL-UHFFFAOYSA-N 1 0 304.394 2.172 10 0 DEAERO c1nc2c(ncnc2N[C@H]2CCC[NH2+]CC2)n1-c1ccccc1 ZINC000634813304 406296965 /nfs/dbraw/zinc/29/69/65/406296965.db2.gz GMBCMZOXOGCWHQ-ZDUSSCGKSA-N 1 0 308.389 2.370 10 0 DEAERO CO[C@H](C[NH2+][C@@H]1CCCS(=O)(=O)CC1)C1CCCCC1 ZINC000634987335 406387301 /nfs/dbraw/zinc/38/73/01/406387301.db2.gz SIYIEZDYPKHLST-HUUCEWRRSA-N 1 0 303.468 2.139 10 0 DEAERO Cc1noc(C)c1[C@H](C)CNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000547273425 406394734 /nfs/dbraw/zinc/39/47/34/406394734.db2.gz XBWUTGPQQWPNND-CYBMUJFWSA-N 1 0 320.437 2.346 10 0 DEAERO CC(C)(C)[N@@H+]1CCCN(C(=O)Cn2ncc3ccccc32)CC1 ZINC000521927815 406376179 /nfs/dbraw/zinc/37/61/79/406376179.db2.gz GAZAORJZGOAZPA-UHFFFAOYSA-N 1 0 314.433 2.369 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000637911156 406473435 /nfs/dbraw/zinc/47/34/35/406473435.db2.gz YFWLJJQCMMNAQM-CEXWTWQISA-N 1 0 323.440 2.118 10 0 DEAERO O=C(NCCCC1CC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000525302390 406483573 /nfs/dbraw/zinc/48/35/73/406483573.db2.gz BXIZLMHBUMKGHL-UHFFFAOYSA-N 1 0 323.481 2.463 10 0 DEAERO COC[C@]1(C(=O)NCc2ccc(Cl)s2)CCCC[NH2+]1 ZINC000637932265 406484225 /nfs/dbraw/zinc/48/42/25/406484225.db2.gz ZKZHGEDAEALOFU-ZDUSSCGKSA-N 1 0 302.827 2.176 10 0 DEAERO COC[C@@]1(C(=O)NCCc2ccc(Cl)s2)CCCC[NH2+]1 ZINC000637935363 406484991 /nfs/dbraw/zinc/48/49/91/406484991.db2.gz GWLUXSHTSBIISO-CQSZACIVSA-N 1 0 316.854 2.219 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccncn2)[C@@H]1c1cccs1 ZINC000548289482 406497239 /nfs/dbraw/zinc/49/72/39/406497239.db2.gz XNQZOHBKCMECRG-SWLSCSKDSA-N 1 0 316.430 2.351 10 0 DEAERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccncn2)[C@H]1c1cccs1 ZINC000548289479 406497492 /nfs/dbraw/zinc/49/74/92/406497492.db2.gz XNQZOHBKCMECRG-DOMZBBRYSA-N 1 0 316.430 2.351 10 0 DEAERO CCN(C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000637867733 406454163 /nfs/dbraw/zinc/45/41/63/406454163.db2.gz BDJOQRXITAXTCA-SFHVURJKSA-N 1 0 311.429 2.499 10 0 DEAERO Cc1ccc(CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000637875599 406457995 /nfs/dbraw/zinc/45/79/95/406457995.db2.gz LKUZUCZNADFOPJ-SFHVURJKSA-N 1 0 311.429 2.071 10 0 DEAERO c1cc2c(ncnc2N2CC[NH+](CCC[C@H]3CCO3)CC2)s1 ZINC000637890743 406464973 /nfs/dbraw/zinc/46/49/73/406464973.db2.gz XCSSEQCYDTZVNC-ZDUSSCGKSA-N 1 0 318.446 2.382 10 0 DEAERO [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000637898459 406468180 /nfs/dbraw/zinc/46/81/80/406468180.db2.gz RIEAWLJSZNLPNT-WZRBSPASSA-N 1 0 312.822 2.109 10 0 DEAERO CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)CC1 ZINC000526003739 406531875 /nfs/dbraw/zinc/53/18/75/406531875.db2.gz ZXYJCPBGPHECGO-AWEZNQCLSA-N 1 0 318.465 2.192 10 0 DEAERO CCC1(CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CCC1 ZINC000637991815 406512299 /nfs/dbraw/zinc/51/22/99/406512299.db2.gz SYHQKDWHMMLFIH-MRXNPFEDSA-N 1 0 303.450 2.142 10 0 DEAERO C[C@H](CNC(=O)NCCOCC1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000572452906 406669874 /nfs/dbraw/zinc/66/98/74/406669874.db2.gz FUZFGYAGPKVLBT-HUUCEWRRSA-N 1 0 311.470 2.223 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC12CCCCC2 ZINC000638290291 406674780 /nfs/dbraw/zinc/67/47/80/406674780.db2.gz FDDCNAPECMOYGK-IRXDYDNUSA-N 1 0 315.461 2.285 10 0 DEAERO c1cc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)sn1 ZINC000638329802 406704339 /nfs/dbraw/zinc/70/43/39/406704339.db2.gz PHGQHYVIASASGF-MRXNPFEDSA-N 1 0 303.431 2.306 10 0 DEAERO c1csc([C@@H](C[NH2+]Cc2ccns2)N2CCOCC2)c1 ZINC000638292742 406676468 /nfs/dbraw/zinc/67/64/68/406676468.db2.gz ILONFXMTXCNMNX-CYBMUJFWSA-N 1 0 309.460 2.368 10 0 DEAERO c1ccc(N2CCOCC2)c(C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000527736757 406734191 /nfs/dbraw/zinc/73/41/91/406734191.db2.gz GMFMDTRFLYPHEX-MRXNPFEDSA-N 1 0 304.434 2.430 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC2(CCC2)CC1 ZINC000638439723 406772837 /nfs/dbraw/zinc/77/28/37/406772837.db2.gz WHEUURDMICZPTR-KRWDZBQOSA-N 1 0 315.461 2.238 10 0 DEAERO O[C@H]1[C@@H](C[NH2+]Cc2ccc3[nH]cnc3c2)CCC12CCOCC2 ZINC000554937451 406829618 /nfs/dbraw/zinc/82/96/18/406829618.db2.gz ISUSBUUOZWQYCB-PBHICJAKSA-N 1 0 315.417 2.220 10 0 DEAERO CCc1nc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cs1 ZINC000554937695 406829726 /nfs/dbraw/zinc/82/97/26/406829726.db2.gz MEZYTFRMWDXBRP-IUODEOHRSA-N 1 0 310.463 2.363 10 0 DEAERO CC(=O)N1CCC(C[NH2+][C@@H](C)c2cn3ccccc3n2)CC1 ZINC000556235873 406866258 /nfs/dbraw/zinc/86/62/58/406866258.db2.gz HMVAGPNPBXRXEO-ZDUSSCGKSA-N 1 0 300.406 2.243 10 0 DEAERO COC[C@@]1(C(=O)N[C@@H](C)c2ccc(Cl)s2)CCC[NH2+]1 ZINC000643635658 407020084 /nfs/dbraw/zinc/02/00/84/407020084.db2.gz QBVWZYRKUCCTHL-TVQRCGJNSA-N 1 0 302.827 2.347 10 0 DEAERO CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000408208295 287032318 /nfs/dbraw/zinc/03/23/18/287032318.db2.gz LTVCMJIPSGGVGR-QXSJWSMHSA-N 1 0 311.470 2.052 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)n1nc(C)cc1C ZINC000174965914 287222646 /nfs/dbraw/zinc/22/26/46/287222646.db2.gz JXBGGBGRZMWOOG-BZUAXINKSA-N 1 0 304.438 2.146 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000253549522 287228576 /nfs/dbraw/zinc/22/85/76/287228576.db2.gz SLTJHGUSAFBHPU-HLLBOEOZSA-N 1 0 300.402 2.075 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CCN1CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000129019539 196011933 /nfs/dbraw/zinc/01/19/33/196011933.db2.gz PADQVAKQKKWKJY-SWLSCSKDSA-N 1 0 309.841 2.110 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000129038443 196014298 /nfs/dbraw/zinc/01/42/98/196014298.db2.gz QOVRGNIXVBGAKW-HZSPNIEDSA-N 1 0 307.463 2.223 10 0 DEAERO COc1cccc(CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)n1 ZINC000129205052 196028700 /nfs/dbraw/zinc/02/87/00/196028700.db2.gz DACYHDPSJTYXHV-AWEZNQCLSA-N 1 0 320.437 2.011 10 0 DEAERO NC1=[NH+]C[C@@H]([C@H]2CCCO2)N1c1cccc(Br)c1 ZINC000129273180 196035310 /nfs/dbraw/zinc/03/53/10/196035310.db2.gz ZGHBAHTUNRUPMM-NWDGAFQWSA-N 1 0 310.195 2.131 10 0 DEAERO C[C@H](CC[NH2+][C@@H]1CCN(CCc2ccccc2)C1)[S@](C)=O ZINC000129463636 196050676 /nfs/dbraw/zinc/05/06/76/196050676.db2.gz YLQNLWXJSQSMIZ-QLVMHMETSA-N 1 0 308.491 2.050 10 0 DEAERO C[NH2+][C@H](C)c1cccc(NC(=O)N[C@H](C)CC[S@](C)=O)c1 ZINC000129548454 196056629 /nfs/dbraw/zinc/05/66/29/196056629.db2.gz MLKSMTCLMHBLAL-JWCBKOKGSA-N 1 0 311.451 2.246 10 0 DEAERO Cc1c2ccccc2oc(=O)c1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129563648 196057726 /nfs/dbraw/zinc/05/77/26/196057726.db2.gz DUAXKQRUFMMVEK-FUNVUKJBSA-N 1 0 312.369 2.114 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ncc(Br)cc1C ZINC000129611617 196061459 /nfs/dbraw/zinc/06/14/59/196061459.db2.gz RLHYAEPXDUKJKA-VIFPVBQESA-N 1 0 300.200 2.479 10 0 DEAERO CC(C)[C@@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1cccs1 ZINC000129630698 196062991 /nfs/dbraw/zinc/06/29/91/196062991.db2.gz MOBMOFNCWQVWEE-CQSZACIVSA-N 1 0 309.479 2.245 10 0 DEAERO CN(Cc1ccc(Cl)s1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129645755 196065164 /nfs/dbraw/zinc/06/51/64/196065164.db2.gz OVHBRCQQHMKXHX-UHFFFAOYSA-N 1 0 315.870 2.044 10 0 DEAERO CCCc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n2ncnc2n1 ZINC000129800335 196076957 /nfs/dbraw/zinc/07/69/57/196076957.db2.gz LSMHLWDXILVPIU-JSGCOSHPSA-N 1 0 302.426 2.217 10 0 DEAERO C[NH2+]C1(C)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000129879108 196082200 /nfs/dbraw/zinc/08/22/00/196082200.db2.gz YYHXMTDLLANLFZ-UHFFFAOYSA-N 1 0 308.856 2.164 10 0 DEAERO CO[C@@H]([C@@H]([NH3+])Cc1c(Br)c(C)nn1C)C(C)(C)C ZINC000130653857 196099220 /nfs/dbraw/zinc/09/92/20/196099220.db2.gz LYEKFGODVSRTHB-CABZTGNLSA-N 1 0 318.259 2.422 10 0 DEAERO Cc1cc2c(=O)n(CC[NH2+][C@H](C)c3cccs3)ccn2n1 ZINC000130744126 196106323 /nfs/dbraw/zinc/10/63/23/196106323.db2.gz AAAROERXAMTNJS-GFCCVEGCSA-N 1 0 302.403 2.217 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](C)C(=O)N2C[C@@H](C)[NH+]2CCCC2)s1 ZINC000130751382 196106565 /nfs/dbraw/zinc/10/65/65/196106565.db2.gz XCKJOZOJPBMELF-UXIGCNINSA-N 1 0 307.463 2.360 10 0 DEAERO CCCc1nc(CN2CC[C@@H](N3CCC([NH3+])CC3)C2)cs1 ZINC000130772563 196108662 /nfs/dbraw/zinc/10/86/62/196108662.db2.gz AFSSIXQYPPDRJI-OAHLLOKOSA-N 1 0 308.495 2.093 10 0 DEAERO CC(C)c1nc(CN2CC[C@@H](N3CCC([NH3+])CC3)C2)cs1 ZINC000130821310 196113460 /nfs/dbraw/zinc/11/34/60/196113460.db2.gz NIBKIIGQDVDXEK-OAHLLOKOSA-N 1 0 308.495 2.264 10 0 DEAERO C[NH2+][C@H](CCCS(C)(=O)=O)c1ccc(Cl)cc1OC ZINC000130987616 196130282 /nfs/dbraw/zinc/13/02/82/196130282.db2.gz ZLUZVWKYSWWUCW-GFCCVEGCSA-N 1 0 305.827 2.434 10 0 DEAERO CC1(C)CC(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000131069026 196137147 /nfs/dbraw/zinc/13/71/47/196137147.db2.gz ZHKZXMRPWHWKLI-CYBMUJFWSA-N 1 0 302.484 2.263 10 0 DEAERO C[C@@H](C[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000131186603 196148057 /nfs/dbraw/zinc/14/80/57/196148057.db2.gz CCLWWDMWYDQSIM-LSDHHAIUSA-N 1 0 310.463 2.051 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc(C)c2Br)C1 ZINC000131399424 196164989 /nfs/dbraw/zinc/16/49/89/196164989.db2.gz PISDLJWTGWKFTD-GXSJLCMTSA-N 1 0 313.195 2.073 10 0 DEAERO Cc1cccc(NC(=O)C[C@H]2C[NH2+]CCO2)c1Br ZINC000131460220 196170852 /nfs/dbraw/zinc/17/08/52/196170852.db2.gz XUGGTJCBWDUNGD-JTQLQIEISA-N 1 0 313.195 2.075 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)[C@H](C)S(C)(=O)=O ZINC000131473679 196172386 /nfs/dbraw/zinc/17/23/86/196172386.db2.gz GPTJHHKAOWSSEM-CABZTGNLSA-N 1 0 309.353 2.269 10 0 DEAERO [NH3+]CC1(CNS(=O)(=O)CCCC(F)(F)F)CCCCC1 ZINC000131565348 196180279 /nfs/dbraw/zinc/18/02/79/196180279.db2.gz JLVUPZALZZTPHB-UHFFFAOYSA-N 1 0 316.389 2.158 10 0 DEAERO Brc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)nc1 ZINC000131973003 196215534 /nfs/dbraw/zinc/21/55/34/196215534.db2.gz CLDFBVNDXQTDCK-QMMMGPOBSA-N 1 0 309.167 2.361 10 0 DEAERO CC[NH2+]Cc1c(N(C)[C@H]2CCCC[C@@H]2O)nc2sccn12 ZINC000132034509 196220557 /nfs/dbraw/zinc/22/05/57/196220557.db2.gz JDUOGFOIAGEHSU-AAEUAGOBSA-N 1 0 308.451 2.245 10 0 DEAERO C[NH2+][C@H](C)c1ccc(OCCCS(C)(=O)=O)c(Cl)c1 ZINC000132289167 196242041 /nfs/dbraw/zinc/24/20/41/196242041.db2.gz ASTGTNVOJTZEPW-SNVBAGLBSA-N 1 0 305.827 2.434 10 0 DEAERO CC(C)c1noc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000132866074 196291410 /nfs/dbraw/zinc/29/14/10/196291410.db2.gz LSVOXDDBNJIHIK-KBPBESRZSA-N 1 0 308.426 2.373 10 0 DEAERO CCCn1ncc(Br)c1[C@](O)(C[NH3+])C(C)(C)C ZINC000133150088 196315549 /nfs/dbraw/zinc/31/55/49/196315549.db2.gz URYZLTLFMMTYCD-GFCCVEGCSA-N 1 0 304.232 2.248 10 0 DEAERO CCOCc1nc(N[C@H](C)c2ncc(C)s2)cc(NN)[nH+]1 ZINC000133161842 196316941 /nfs/dbraw/zinc/31/69/41/196316941.db2.gz IFFQABALOFGNSC-SECBINFHSA-N 1 0 308.411 2.237 10 0 DEAERO CC(C)c1cc(C(=O)N2CCS[C@@H](C)[C@H]2C)cc(NN)[nH+]1 ZINC000133934138 196347105 /nfs/dbraw/zinc/34/71/05/196347105.db2.gz PZGAQPMTMURAJV-MNOVXSKESA-N 1 0 308.451 2.457 10 0 DEAERO CC[NH2+][C@H](C)c1ccc(NC(=O)NCC[S@@](=O)CC)cc1 ZINC000134085602 196359891 /nfs/dbraw/zinc/35/98/91/196359891.db2.gz LTLVNIGKMAGZSD-XUSGNXJCSA-N 1 0 311.451 2.247 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)CCOC)c1cc(C)cc(C)c1 ZINC000133959092 196349873 /nfs/dbraw/zinc/34/98/73/196349873.db2.gz ZTUVQESJFRWVOM-INIZCTEOSA-N 1 0 313.463 2.405 10 0 DEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000134237870 196372340 /nfs/dbraw/zinc/37/23/40/196372340.db2.gz JSYYRVDBNGQEBV-GZMMTYOYSA-N 1 0 314.179 2.445 10 0 DEAERO C[C@](C[NH3+])(NS(=O)(=O)CCCC(F)(F)F)c1ccccc1 ZINC000134472122 196393568 /nfs/dbraw/zinc/39/35/68/196393568.db2.gz JAIHVBQBAVHLIS-GFCCVEGCSA-N 1 0 324.368 2.122 10 0 DEAERO C[C@@H]1CCC[N@@H+](C2(CN)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000058041192 287345160 /nfs/dbraw/zinc/34/51/60/287345160.db2.gz YITNHCNWLXISIW-CQSZACIVSA-N 1 0 311.470 2.447 10 0 DEAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187850061 225001534 /nfs/dbraw/zinc/00/15/34/225001534.db2.gz CTGVROXYRCAQJW-KGLIPLIRSA-N 1 0 311.447 2.396 10 0 DEAERO O=C(c1ncccc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000521611824 424827930 /nfs/dbraw/zinc/82/79/30/424827930.db2.gz XBLAXLPBQQUTCA-AWEZNQCLSA-N 1 0 324.222 2.060 10 0 DEAERO COC[C@H](C)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000037847518 424807852 /nfs/dbraw/zinc/80/78/52/424807852.db2.gz DGXFVRJDZXZCDY-UWVGGRQHSA-N 1 0 308.205 2.358 10 0 DEAERO C[NH+]1CCC(NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000052982522 424837540 /nfs/dbraw/zinc/83/75/40/424837540.db2.gz MDRHFNIOCBCZTJ-SJORKVTESA-N 1 0 302.418 2.365 10 0 DEAERO CCCCCNC(=O)[C@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876242 424849479 /nfs/dbraw/zinc/84/94/79/424849479.db2.gz SOCCHDTTWHZWFB-HNNXBMFYSA-N 1 0 320.481 2.370 10 0 DEAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886512 424849686 /nfs/dbraw/zinc/84/96/86/424849686.db2.gz DBFYWJMVYQXYRQ-IYBDPMFKSA-N 1 0 318.465 2.385 10 0 DEAERO CC(C)[N@H+](CCO)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000192928795 424866238 /nfs/dbraw/zinc/86/62/38/424866238.db2.gz YIQQDLWYRIOPOG-LLVKDONJSA-N 1 0 322.232 2.436 10 0 DEAERO CCN(C(=O)[C@H](C)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000193808511 424871124 /nfs/dbraw/zinc/87/11/24/424871124.db2.gz IUYXENMCHBHYLC-HNNXBMFYSA-N 1 0 303.450 2.454 10 0 DEAERO CCOC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000193777855 424871208 /nfs/dbraw/zinc/87/12/08/424871208.db2.gz GFAPZONGFQENIV-LBPRGKRZSA-N 1 0 322.371 2.288 10 0 DEAERO c1ccc(-c2nnc(NC3CC([NH+]4CCCCC4)C3)s2)nc1 ZINC000369556904 424875858 /nfs/dbraw/zinc/87/58/58/424875858.db2.gz QEQIKOQOPIUSCL-UHFFFAOYSA-N 1 0 315.446 3.029 10 0 DEAERO c1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc(N2CCSCC2)n1 ZINC000639386461 424857805 /nfs/dbraw/zinc/85/78/05/424857805.db2.gz IVMHOZRRDYLZFP-HZPDHXFCSA-N 1 0 319.474 2.292 10 0 DEAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCN(CC)CC2)cc1 ZINC000192661997 424864893 /nfs/dbraw/zinc/86/48/93/424864893.db2.gz DHFOZTCVDDHQHJ-HOTGVXAUSA-N 1 0 317.477 2.452 10 0 DEAERO CC(C)[C@H](C(=O)N1CCN(Cc2ccccc2)C[C@H]1C)[C@H](C)[NH3+] ZINC000399369722 424922048 /nfs/dbraw/zinc/92/20/48/424922048.db2.gz KFTYGLJSOKGLNX-RYRKJORJSA-N 1 0 317.477 2.339 10 0 DEAERO CC(C)OC[C@@H](O)C[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000398079687 424922589 /nfs/dbraw/zinc/92/25/89/424922589.db2.gz RFEWAAQCQOLLPF-OALUTQOASA-N 1 0 320.477 2.417 10 0 DEAERO O[C@]1(CC[NH2+]Cc2sccc2Br)CCOC1 ZINC000404219382 424926169 /nfs/dbraw/zinc/92/61/69/424926169.db2.gz QYGHAXVLAHSNRP-LLVKDONJSA-N 1 0 306.225 2.142 10 0 DEAERO CCn1cc(Br)cc1C(=O)NCCC1(C[NH3+])CC1 ZINC000404678137 424927752 /nfs/dbraw/zinc/92/77/52/424927752.db2.gz GTKGBLMZYUYBKN-UHFFFAOYSA-N 1 0 314.227 2.129 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2nscc2Br)C1 ZINC000404801336 424930078 /nfs/dbraw/zinc/93/00/78/424930078.db2.gz KTMUFVXFEPKIDP-QMMMGPOBSA-N 1 0 318.240 2.120 10 0 DEAERO COc1ccc(C[C@@H](C)C[N@@H+]2CCCNC(=O)[C@@H]2C)cc1F ZINC000249000652 424886850 /nfs/dbraw/zinc/88/68/50/424886850.db2.gz HKRBMZARSZXTMN-OLZOCXBDSA-N 1 0 308.397 2.223 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c(O)cccc1O ZINC000309817726 424893927 /nfs/dbraw/zinc/89/39/27/424893927.db2.gz ONURHEBPSAKLJD-ZDUSSCGKSA-N 1 0 314.385 2.348 10 0 DEAERO c1ccc(-c2ccc(NCC[NH2+][C@@H]3CCCSC3)nn2)cc1 ZINC000341204951 424952207 /nfs/dbraw/zinc/95/22/07/424952207.db2.gz KDNAXCNYODXUFO-OAHLLOKOSA-N 1 0 314.458 3.041 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2cccc(Br)c2F)CC1=O ZINC000657696299 425386470 /nfs/dbraw/zinc/38/64/70/425386470.db2.gz HAPPDCWQKPWLLA-SECBINFHSA-N 1 0 315.186 2.156 10 0 DEAERO C[C@@H]1COCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000192642209 267742240 /nfs/dbraw/zinc/74/22/40/267742240.db2.gz IZHUZYOWBLFFEL-TXCZRRACSA-N 1 0 306.450 2.134 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ncc(C2CCOCC2)s1 ZINC000333096258 268885195 /nfs/dbraw/zinc/88/51/95/268885195.db2.gz AGECPFRODUQJPI-ZYHUDNBSSA-N 1 0 324.450 2.157 10 0 DEAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@H](C)[C@@H]2C)cc1 ZINC000333192695 268900817 /nfs/dbraw/zinc/90/08/17/268900817.db2.gz AFLIXIXDGWLONK-PYTWLRIVSA-N 1 0 317.433 2.191 10 0 DEAERO C[C@H](O)C[C@@H]1CCCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333210676 268904701 /nfs/dbraw/zinc/90/47/01/268904701.db2.gz PRJXMLKSQXGWCB-MKXAEBJUSA-N 1 0 323.481 2.337 10 0 DEAERO COc1ccc(C)nc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000333212860 268906087 /nfs/dbraw/zinc/90/60/87/268906087.db2.gz ZYOKMSJHXSEPAL-UONOGXRCSA-N 1 0 318.421 2.252 10 0 DEAERO O=C(N[C@H]1CCOC2(CCCCC2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333372347 268934654 /nfs/dbraw/zinc/93/46/54/268934654.db2.gz MPRHZBPAZCVTQG-GJZGRUSLSA-N 1 0 309.454 2.310 10 0 DEAERO Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c1 ZINC000333683842 268976747 /nfs/dbraw/zinc/97/67/47/268976747.db2.gz PCHSJHPSMJQATG-NSHDSACASA-N 1 0 302.827 2.069 10 0 DEAERO Cc1ccc(C2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)cn1 ZINC000333720482 268982645 /nfs/dbraw/zinc/98/26/45/268982645.db2.gz UNMKLHPPXZMYDY-SUMWQHHRSA-N 1 0 316.449 2.277 10 0 DEAERO CC(C)(C)n1cnc(-c2nc(CC34CCC[NH+]3CCC4)no2)n1 ZINC000333895188 269001179 /nfs/dbraw/zinc/00/11/79/269001179.db2.gz YCUHXESCJPMFRP-UHFFFAOYSA-N 1 0 316.409 2.254 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000334121939 269021528 /nfs/dbraw/zinc/02/15/28/269021528.db2.gz LZGMFKZKOIEVFS-CYBMUJFWSA-N 1 0 312.417 2.330 10 0 DEAERO CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000393245813 269099331 /nfs/dbraw/zinc/09/93/31/269099331.db2.gz SIPAVTGWBDJOIC-HUUCEWRRSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C)c1ccccc1Cl ZINC000395175474 269101360 /nfs/dbraw/zinc/10/13/60/269101360.db2.gz JBDVFYMRRBUDRI-AVGNSLFASA-N 1 0 310.825 2.220 10 0 DEAERO C[C@H](NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C)c1ccccc1Cl ZINC000395175482 269101415 /nfs/dbraw/zinc/10/14/15/269101415.db2.gz JBDVFYMRRBUDRI-RWMBFGLXSA-N 1 0 310.825 2.220 10 0 DEAERO Cc1oc(Br)cc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000396666460 269103571 /nfs/dbraw/zinc/10/35/71/269103571.db2.gz CUXFEELXLIRSOF-VIFPVBQESA-N 1 0 301.184 2.175 10 0 DEAERO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000397485953 269106980 /nfs/dbraw/zinc/10/69/80/269106980.db2.gz BTAQIJWBCLOGSY-UHFFFAOYSA-N 1 0 324.424 2.444 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398865696 269109723 /nfs/dbraw/zinc/10/97/23/269109723.db2.gz SLABJUUSPZSMOD-OKZBNKHCSA-N 1 0 316.445 2.128 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)c2cscc2Br)C1 ZINC000405031839 269113149 /nfs/dbraw/zinc/11/31/49/269113149.db2.gz PHNYTSMEAVCHJG-QMMMGPOBSA-N 1 0 303.225 2.335 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000430239592 269127033 /nfs/dbraw/zinc/12/70/33/269127033.db2.gz NVAXLOGPBXSGNC-FUHWJXTLSA-N 1 0 312.417 2.327 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000430233211 269127635 /nfs/dbraw/zinc/12/76/35/269127635.db2.gz KESQSMTUZVQUBS-DLBZAZTESA-N 1 0 312.417 2.185 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCCn2ncnc21 ZINC000164745254 274355433 /nfs/dbraw/zinc/35/54/33/274355433.db2.gz RROUWWHHGHNCRJ-OIISXLGYSA-N 1 0 311.433 2.223 10 0 DEAERO O=C([C@H]1CCOc2ccccc21)N1CCC[N@@H+](C2CC2)CC1 ZINC000076875420 275008908 /nfs/dbraw/zinc/00/89/08/275008908.db2.gz TYHCNPNAKRWQKF-INIZCTEOSA-N 1 0 300.402 2.249 10 0 DEAERO O=C([C@H]1SCCc2sccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246687801 275010319 /nfs/dbraw/zinc/01/03/19/275010319.db2.gz BFVAWRJTKAVOAD-FZMZJTMJSA-N 1 0 308.472 2.385 10 0 DEAERO O=c1[nH]c2ccccc2n1C1CC[NH+](C2CCC(=O)CC2)CC1 ZINC000000022311 275042612 /nfs/dbraw/zinc/04/26/12/275042612.db2.gz GDLQVRVYYNREOI-UHFFFAOYSA-N 1 0 313.401 2.478 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000415267114 275757631 /nfs/dbraw/zinc/75/76/31/275757631.db2.gz MTHBUBPBMWCXLF-BLLLJJGKSA-N 1 0 318.421 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)C1 ZINC000188182852 276177935 /nfs/dbraw/zinc/17/79/35/276177935.db2.gz UWOXQGUCVMLASE-WFASDCNBSA-N 1 0 321.396 2.433 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000177713780 276183344 /nfs/dbraw/zinc/18/33/44/276183344.db2.gz LSHLXUBSZXGYGM-STQMWFEESA-N 1 0 324.856 2.478 10 0 DEAERO CC[N@@H+]1C[C@@H](C)N(Cc2nc3oc(C)c(C)c3c(N)n2)C[C@H]1C ZINC000408048646 276242775 /nfs/dbraw/zinc/24/27/75/276242775.db2.gz ZABMLCLISHIGME-GHMZBOCLSA-N 1 0 317.437 2.336 10 0 DEAERO CCO[C@H]1C[C@](N)(c2nc(-c3ccc(C[NH3+])cc3)no2)C1(C)C 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C[NH2+]CC(=O)Nc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC000584660592 337378256 /nfs/dbraw/zinc/37/82/56/337378256.db2.gz PRIRVJFVPIMPAD-UHFFFAOYSA-N 1 0 305.378 2.142 10 0 DEAERO C[C@@H](C[NH+]1CCCCCC1)Nc1cncc(-n2cccn2)n1 ZINC000330007010 533826426 /nfs/dbraw/zinc/82/64/26/533826426.db2.gz DHCLDPFFHHWVLM-AWEZNQCLSA-N 1 0 300.410 2.339 10 0 DEAERO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(CCO)CC2)cc1 ZINC000188060029 534091642 /nfs/dbraw/zinc/09/16/42/534091642.db2.gz DAXFVUSHJWEYEA-ZDUSSCGKSA-N 1 0 306.406 2.165 10 0 DEAERO Cc1ccc2c(CCNC(=O)C3CC[NH+](C)CC3)cn(C)c2c1 ZINC000188433762 534382873 /nfs/dbraw/zinc/38/28/73/534382873.db2.gz OBEJWQBEZQBYGZ-UHFFFAOYSA-N 1 0 313.445 2.487 10 0 DEAERO O[C@@H](CNc1ncnc2c(F)cccc12)C[NH+]1CCCCC1 ZINC000302627670 534403316 /nfs/dbraw/zinc/40/33/16/534403316.db2.gz BIGSUFCFHKNHJF-LBPRGKRZSA-N 1 0 304.369 2.028 10 0 DEAERO CC(=O)N1CCC([NH2+]CCc2cccc(C(F)(F)F)n2)CC1 ZINC000339412480 519515327 /nfs/dbraw/zinc/51/53/27/519515327.db2.gz FOZWJBGEMLRFOP-UHFFFAOYSA-N 1 0 315.339 2.243 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1cccnc1 ZINC000124173791 519722131 /nfs/dbraw/zinc/72/21/31/519722131.db2.gz GZWMSHPKBYFRQI-MRXNPFEDSA-N 1 0 304.438 2.343 10 0 DEAERO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000157887822 519787057 /nfs/dbraw/zinc/78/70/57/519787057.db2.gz LNSFYCDCGPHEHA-KGLIPLIRSA-N 1 0 324.446 2.076 10 0 DEAERO CCOC(=O)CCC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000102398952 520636225 /nfs/dbraw/zinc/63/62/25/520636225.db2.gz PDRGIODTMFQWBG-UHFFFAOYSA-N 1 0 324.465 2.491 10 0 DEAERO CC1CC[NH+](CCNC(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000156331864 521009636 /nfs/dbraw/zinc/00/96/36/521009636.db2.gz HRPOBTXTZSMSMD-UHFFFAOYSA-N 1 0 319.453 2.031 10 0 DEAERO CCCC[C@@H](NC1CC[NH+](Cc2cccnc2)CC1)C(=O)OC ZINC000154569953 521098776 /nfs/dbraw/zinc/09/87/76/521098776.db2.gz ONFDTDLADHBIEX-QGZVFWFLSA-N 1 0 319.449 2.367 10 0 DEAERO CCCN(CCC)C(=O)CCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104845449 521631407 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C[C@](O)(CO)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000309570914 625357845 /nfs/dbraw/zinc/35/78/45/625357845.db2.gz LMOPGLPLQQUBSM-GOSISDBHSA-N 1 0 301.386 2.099 10 0 DEAERO C[C@H]1[C@H]([NH2+]C2CCC(C(N)=O)CC2)CCN1Cc1ccccc1 ZINC000309640535 625443328 /nfs/dbraw/zinc/44/33/28/625443328.db2.gz BPYACFVRLWSWPR-IWCVFHTOSA-N 1 0 315.461 2.283 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000309777349 625570506 /nfs/dbraw/zinc/57/05/06/625570506.db2.gz JQNKBNYMQNMENW-HUUCEWRRSA-N 1 0 312.454 2.480 10 0 DEAERO C[C@@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000049645468 622716159 /nfs/dbraw/zinc/71/61/59/622716159.db2.gz MHKIBTNWPDLGKU-RKDXNWHRSA-N 1 0 308.856 2.134 10 0 DEAERO Cc1ccc(CSCCNC(=[NH2+])NC[C@H]2CCCO2)cc1 ZINC000066242252 622737770 /nfs/dbraw/zinc/73/77/70/622737770.db2.gz ZFMXXDZPZPTLFC-OAHLLOKOSA-N 1 0 307.463 2.312 10 0 DEAERO CC(C)c1ccc(OCCNC(=[NH2+])NC[C@H]2CCCO2)cc1 ZINC000066244187 622739016 /nfs/dbraw/zinc/73/90/16/622739016.db2.gz 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625188758 /nfs/dbraw/zinc/18/87/58/625188758.db2.gz VMYZFYQYFKVENG-UHFFFAOYSA-N 1 0 322.368 2.328 10 0 DEAERO Cn1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC000309888297 625208005 /nfs/dbraw/zinc/20/80/05/625208005.db2.gz AGDIKNLNIVNFTN-OCCSQVGLSA-N 1 0 308.426 2.203 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1nc(N(C)C)sc1=S ZINC000177160797 625864060 /nfs/dbraw/zinc/86/40/60/625864060.db2.gz KKROYZHPWCQHCW-NSHDSACASA-N 1 0 315.512 2.114 10 0 DEAERO CN1CCC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299991735 633309911 /nfs/dbraw/zinc/30/99/11/633309911.db2.gz VKWYYCMZLKZFEA-HUUCEWRRSA-N 1 0 311.470 2.317 10 0 DEAERO CC(C)c1cnc(CN2CC[NH+](CC3CCOCC3)CC2)o1 ZINC000736319161 633599368 /nfs/dbraw/zinc/59/93/68/633599368.db2.gz VPXRQEYJDLHUNG-UHFFFAOYSA-N 1 0 307.438 2.342 10 0 DEAERO COC(=O)CCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000000525944 635648290 /nfs/dbraw/zinc/64/82/90/635648290.db2.gz YFIHNSLWCHRTFQ-GOEBONIOSA-N 1 0 316.401 2.083 10 0 DEAERO C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222544250 636360165 /nfs/dbraw/zinc/36/01/65/636360165.db2.gz MNSFVISPMMMMJX-BXUZGUMPSA-N 1 0 308.809 2.318 10 0 DEAERO CN(CC1CC1)C(=O)C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000726973834 637491499 /nfs/dbraw/zinc/49/14/99/637491499.db2.gz PQQXUPPZGMNSJT-PKOBYXMFSA-N 1 0 316.445 2.443 10 0 DEAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc3nccn3c2)C1 ZINC000738951960 637545433 /nfs/dbraw/zinc/54/54/33/637545433.db2.gz OBWUCMNQCBQXIU-CYBMUJFWSA-N 1 0 301.394 2.329 10 0 DEAERO COC[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000727089309 637734588 /nfs/dbraw/zinc/73/45/88/637734588.db2.gz QOAJENXVUFFUJU-OAHLLOKOSA-N 1 0 323.506 2.426 10 0 DEAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000741585201 637995962 /nfs/dbraw/zinc/99/59/62/637995962.db2.gz OIXIPGQLKXWAPH-WCQYABFASA-N 1 0 324.856 2.213 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NCCOC2CCC2)CC1 ZINC000745906941 638298567 /nfs/dbraw/zinc/29/85/67/638298567.db2.gz VUTHNLMMGJMFJO-UHFFFAOYSA-N 1 0 311.470 2.319 10 0 DEAERO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000746258110 638326435 /nfs/dbraw/zinc/32/64/35/638326435.db2.gz KAFUHDIDEMFMSK-NCOADZHNSA-N 1 0 306.450 2.182 10 0 DEAERO CCCCN(C)C(=O)C1CC[NH+](C/C=C(/C)C(=O)OC)CC1 ZINC000748814274 638593642 /nfs/dbraw/zinc/59/36/42/638593642.db2.gz YDBFPKNRFCAXDR-AUWJEWJLSA-N 1 0 310.438 2.076 10 0 DEAERO COC(=O)/C(C)=C/C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000748818219 638595042 /nfs/dbraw/zinc/59/50/42/638595042.db2.gz SDLXKKGCSCYGNJ-IDKBZEPQSA-N 1 0 303.402 2.478 10 0 DEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000342225635 639474952 /nfs/dbraw/zinc/47/49/52/639474952.db2.gz JQPFRJYIOUXQMS-HTQZYQBOSA-N 1 0 302.168 2.037 10 0 DEAERO COc1cc(Br)c(C[NH2+][C@@H](C)[C@H](C)O)cc1OC ZINC000342236587 639498390 /nfs/dbraw/zinc/49/83/90/639498390.db2.gz VUAHKVFYYBHIOT-IUCAKERBSA-N 1 0 318.211 2.325 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000321593978 640228152 /nfs/dbraw/zinc/22/81/52/640228152.db2.gz JOIVUNQTBMOJLN-ZWKOTPCHSA-N 1 0 311.433 2.374 10 0 DEAERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Br)o3)C[C@H]2C1 ZINC000310856604 640283564 /nfs/dbraw/zinc/28/35/64/640283564.db2.gz QOQGRMJCIOEZAU-NXEZZACHSA-N 1 0 313.195 2.066 10 0 DEAERO COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2C[C@@H](O)CC[C@@H]2C)cc1 ZINC000897995609 640987252 /nfs/dbraw/zinc/98/72/52/640987252.db2.gz GUUFGOUZNIGUMY-QRTARXTBSA-N 1 0 320.433 2.106 10 0 DEAERO C[C@@H](Cc1ccccc1Cl)NC(=O)C1(C[NH3+])CCOCC1 ZINC000165992054 644771069 /nfs/dbraw/zinc/77/10/69/644771069.db2.gz FUPTUGUARNOGFU-LBPRGKRZSA-N 1 0 310.825 2.143 10 0 DEAERO CCn1ncnc1COC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000801324393 645377702 /nfs/dbraw/zinc/37/77/02/645377702.db2.gz URLPQMYNMVGRNY-UHFFFAOYSA-N 1 0 314.389 2.251 10 0 DEAERO CC[S@](=O)CC[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000801722331 645433452 /nfs/dbraw/zinc/43/34/52/645433452.db2.gz GRVWOZHFNUSFCG-NRFANRHFSA-N 1 0 305.447 2.254 10 0 DEAERO [NH3+]C[C@H]1CCCCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000044556868 646412097 /nfs/dbraw/zinc/41/20/97/646412097.db2.gz QBSGJKZZSDKYKQ-QSYFUGGGSA-N 1 0 314.838 2.454 10 0 DEAERO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H](C)O)c(Br)c1 ZINC000349312483 646461255 /nfs/dbraw/zinc/46/12/55/646461255.db2.gz FLMAKKPRLDCDHA-DTWKUNHWSA-N 1 0 316.195 2.095 10 0 DEAERO COC(OC)[C@H](C)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000223019535 646482068 /nfs/dbraw/zinc/48/20/68/646482068.db2.gz WEBRMNLTKCLXRC-RWMBFGLXSA-N 1 0 316.442 2.419 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000045695854 646522054 /nfs/dbraw/zinc/52/20/54/646522054.db2.gz FETJGOYAVZTARH-GWCFXTLKSA-N 1 0 302.212 2.355 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)Nc1sccc1C(N)=O ZINC000172170260 646726045 /nfs/dbraw/zinc/72/60/45/646726045.db2.gz ZPTWFUDIQOYKJW-VHSXEESVSA-N 1 0 309.435 2.342 10 0 DEAERO CCOCC[N@@H+]1CCN(Cn2cccnc2=S)C[C@H]1CC ZINC000172498086 646739373 /nfs/dbraw/zinc/73/93/73/646739373.db2.gz FZCCSLOCRJSYPV-CQSZACIVSA-N 1 0 310.467 2.003 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)CC[C@H]2CC[C@@H](C)O2)C1 ZINC000174281863 646800717 /nfs/dbraw/zinc/80/07/17/646800717.db2.gz CYFLUFPXPIPGBH-OAGGEKHMSA-N 1 0 313.438 2.234 10 0 DEAERO C[C@@H]1CCN(c2ncnc3c2cnn3-c2ccccc2)[C@H](C[NH3+])C1 ZINC000261606128 646996447 /nfs/dbraw/zinc/99/64/47/646996447.db2.gz CRUSDJCXKFQIIT-HIFRSBDPSA-N 1 0 322.416 2.379 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[C@H](O)c1ccco1 ZINC000152150943 647109607 /nfs/dbraw/zinc/10/96/07/647109607.db2.gz PTJQDHOGVUBEIM-MCIONIFRSA-N 1 0 311.426 2.121 10 0 DEAERO O[C@@H](C[NH2+]C[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000032185163 647424436 /nfs/dbraw/zinc/42/44/36/647424436.db2.gz GUELIRFPPCGYCY-STQMWFEESA-N 1 0 300.196 2.251 10 0 DEAERO CC1CC[NH+](CCNC(=O)c2cc(Cl)nc(N(C)C)c2)CC1 ZINC000733131384 647889683 /nfs/dbraw/zinc/88/96/83/647889683.db2.gz YXWRDJLNSHBIJT-UHFFFAOYSA-N 1 0 324.856 2.263 10 0 DEAERO CCC[C@H](C(=O)NCc1ccc(-n2ccnc2)cc1)[NH+](C)C ZINC000179649280 648404200 /nfs/dbraw/zinc/40/42/00/648404200.db2.gz OOYQOILUNWSLFV-MRXNPFEDSA-N 1 0 300.406 2.219 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000237844927 648428996 /nfs/dbraw/zinc/42/89/96/648428996.db2.gz SAEGUARUUHBYCH-IAQYHMDHSA-N 1 0 318.808 2.383 10 0 DEAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000237863885 648435114 /nfs/dbraw/zinc/43/51/14/648435114.db2.gz ZPILOVKXQLFAOL-PWSUYJOCSA-N 1 0 323.234 2.461 10 0 DEAERO COC(C[N@H+](CCCO)Cc1cc(F)cc2cccnc21)OC ZINC000180641447 648505446 /nfs/dbraw/zinc/50/54/46/648505446.db2.gz PRYDVXSFZOJTCM-UHFFFAOYSA-N 1 0 322.380 2.177 10 0 DEAERO CC(C)Nc1ncnc2c1ncn2C[N@@H+]1CCS[C@@H](C)C1 ZINC000170903126 648671455 /nfs/dbraw/zinc/67/14/55/648671455.db2.gz LOYFGLQCKQJRGZ-NSHDSACASA-N 1 0 306.439 2.041 10 0 DEAERO COc1ccccc1CCNC(=O)C[NH2+]CCc1ccccc1 ZINC000243341502 648908434 /nfs/dbraw/zinc/90/84/34/648908434.db2.gz LTCYVVJTYVYLNA-UHFFFAOYSA-N 1 0 312.413 2.186 10 0 DEAERO C[C@H]1CCC[C@H](CCNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000070549771 648946910 /nfs/dbraw/zinc/94/69/10/648946910.db2.gz JJWLPXHDHKFZCO-UONOGXRCSA-N 1 0 302.484 2.122 10 0 DEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(Cl)nc(Cl)c1 ZINC000071189317 649061771 /nfs/dbraw/zinc/06/17/71/649061771.db2.gz KYENXLRTCOQLEJ-VIFPVBQESA-N 1 0 302.205 2.412 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C(C)(C)O)cc2)C1 ZINC000184678455 649344290 /nfs/dbraw/zinc/34/42/90/649344290.db2.gz HUZLSLDEFCXZDO-INIZCTEOSA-N 1 0 319.449 2.198 10 0 DEAERO Cc1cccnc1/C=C/C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000185278891 649488119 /nfs/dbraw/zinc/48/81/19/649488119.db2.gz BSMKFQMHLKVUGA-MOEXGYKKSA-N 1 0 318.417 2.303 10 0 DEAERO C[C@]1(CNC(=O)c2ncccc2N)CC[N@H+](Cc2ccccc2)C1 ZINC000379746627 685392108 /nfs/dbraw/zinc/39/21/08/685392108.db2.gz WKMYFTWXGAVYQR-LJQANCHMSA-N 1 0 324.428 2.306 10 0 DEAERO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000380894338 685398191 /nfs/dbraw/zinc/39/81/91/685398191.db2.gz BFJBKZFKZKBYCF-IRORGTOCSA-N 1 0 314.838 2.358 10 0 DEAERO CN(C(=O)c1ccc(Br)nc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000388272691 685426524 /nfs/dbraw/zinc/42/65/24/685426524.db2.gz NUZGCSCYMNAJFE-GFCCVEGCSA-N 1 0 324.222 2.010 10 0 DEAERO CON1CCC([NH2+]Cc2ccn(Cc3ccccc3)n2)CC1 ZINC000389937881 685436758 /nfs/dbraw/zinc/43/67/58/685436758.db2.gz KTDXIFPDYJIJEV-UHFFFAOYSA-N 1 0 300.406 2.047 10 0 DEAERO CS(=O)(=O)C1(C[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000393695488 685453893 /nfs/dbraw/zinc/45/38/93/685453893.db2.gz DBZOTFWZAXLHJP-ZDUSSCGKSA-N 1 0 301.452 2.035 10 0 DEAERO C[C@](CO)([NH2+]C[C@H]1CCCO1)c1cccc(Br)c1 ZINC000038114502 683886967 /nfs/dbraw/zinc/88/69/67/683886967.db2.gz YIQPNODIINXMMA-ZIAGYGMSSA-N 1 0 314.223 2.425 10 0 DEAERO COc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)cc1 ZINC000072897504 683928645 /nfs/dbraw/zinc/92/86/45/683928645.db2.gz SXWYWASIEDJDFI-CHWSQXEVSA-N 1 0 319.405 2.464 10 0 DEAERO O=[N+]([O-])c1cccc(N2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000089885923 684027604 /nfs/dbraw/zinc/02/76/04/684027604.db2.gz GWGZXOGMHFRPHM-JKSUJKDBSA-N 1 0 305.378 2.020 10 0 DEAERO OCCC1(C[NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000097817858 684055700 /nfs/dbraw/zinc/05/57/00/684055700.db2.gz PAIFSWMSMFPBHY-CYBMUJFWSA-N 1 0 314.223 2.235 10 0 DEAERO Cc1noc(C)c1[C@@H](C)C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000119289972 684078975 /nfs/dbraw/zinc/07/89/75/684078975.db2.gz QLDZXPPQIULDRB-DOMZBBRYSA-N 1 0 324.421 2.295 10 0 DEAERO O=C(CC1CCCC1)NC1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000120537594 684097231 /nfs/dbraw/zinc/09/72/31/684097231.db2.gz SCZUIHCNBJQHNO-HNNXBMFYSA-N 1 0 322.449 2.101 10 0 DEAERO C[C@@H]1C[C@H](NS(=O)(=O)/C=C/c2ccccc2)C[N@@H+]1C1CC1 ZINC000126169775 684151710 /nfs/dbraw/zinc/15/17/10/684151710.db2.gz TVAMXYLOYXJSHA-CUTVHNCCSA-N 1 0 306.431 2.202 10 0 DEAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C/C(Cl)=C/Cl)CC1 ZINC000126885251 684158327 /nfs/dbraw/zinc/15/83/27/684158327.db2.gz CRESWAALAYFYKI-ZVHGMHCTSA-N 1 0 306.281 2.407 10 0 DEAERO CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000129459271 684179639 /nfs/dbraw/zinc/17/96/39/684179639.db2.gz BDFXIDYALZGYGG-RHSMWYFYSA-N 1 0 322.424 2.343 10 0 DEAERO O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000130138064 684185587 /nfs/dbraw/zinc/18/55/87/684185587.db2.gz BIMIJDIQKDPUOW-UAGQMJEPSA-N 1 0 302.418 2.101 10 0 DEAERO O=C(C[C@H]1COC(=O)C1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000134775156 684230297 /nfs/dbraw/zinc/23/02/97/684230297.db2.gz OKFPDIXZHMKGLX-CQSZACIVSA-N 1 0 302.374 2.174 10 0 DEAERO COC(=O)Nc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000156944372 684292598 /nfs/dbraw/zinc/29/25/98/684292598.db2.gz SFFWWHGSIYTDOP-FZMZJTMJSA-N 1 0 305.378 2.064 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)CC2CCC3(CC2)OCCO3)CC[N@@H+]1C ZINC000188497316 684357829 /nfs/dbraw/zinc/35/78/29/684357829.db2.gz MRQMDKQJPBDUIQ-HOCLYGCPSA-N 1 0 324.465 2.251 10 0 DEAERO CC1(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)OCCCO1 ZINC000192249571 684446355 /nfs/dbraw/zinc/44/63/55/684446355.db2.gz ZYSWEWRJAPNNIG-UHFFFAOYSA-N 1 0 305.353 2.254 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+]C[C@@H](O)c2ccccc2)c2ccccc21 ZINC000192959433 684461567 /nfs/dbraw/zinc/46/15/67/684461567.db2.gz SXGMHOYCAYQPMV-JKSUJKDBSA-N 1 0 317.410 2.228 10 0 DEAERO N#Cc1cc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000193608397 685044834 /nfs/dbraw/zinc/04/48/34/685044834.db2.gz RYDKVBSIMUZWOB-KRWDZBQOSA-N 1 0 307.353 2.385 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NC[C@@H](O)c2ccccc2)CC1 ZINC000194936343 685081910 /nfs/dbraw/zinc/08/19/10/685081910.db2.gz HQELJNARMGFPMU-QGZVFWFLSA-N 1 0 319.449 2.141 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)C(F)(F)F)CC1 ZINC000195526900 685101370 /nfs/dbraw/zinc/10/13/70/685101370.db2.gz HIXQXQHBPNEECP-UHFFFAOYSA-N 1 0 301.312 2.329 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2CSCCS2)CC[N@@H+]1C ZINC000246625990 685133674 /nfs/dbraw/zinc/13/36/74/685133674.db2.gz IRLDWCCYYWTBCZ-UPJWGTAASA-N 1 0 302.509 2.166 10 0 DEAERO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H](O)c1cccc(F)c1 ZINC000246700829 685134649 /nfs/dbraw/zinc/13/46/49/685134649.db2.gz WGPLMKNQTWPXON-OAGGEKHMSA-N 1 0 308.397 2.273 10 0 DEAERO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](O)c2cc(C)cc(C)c2)C1 ZINC000246811391 685137242 /nfs/dbraw/zinc/13/72/42/685137242.db2.gz PWBQCVAIAMTDHR-SJLPKXTDSA-N 1 0 304.434 2.137 10 0 DEAERO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247486022 685149143 /nfs/dbraw/zinc/14/91/43/685149143.db2.gz KNSZRAHQYMHYKY-ZWKOTPCHSA-N 1 0 316.445 2.443 10 0 DEAERO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000247644733 685151547 /nfs/dbraw/zinc/15/15/47/685151547.db2.gz UENIQGVOEUBLDP-RDJZCZTQSA-N 1 0 304.434 2.314 10 0 DEAERO COc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(N)n3)C2)cc1C ZINC000931031727 694298099 /nfs/dbraw/zinc/29/80/99/694298099.db2.gz DDFYMLZRANVMRC-CYBMUJFWSA-N 1 0 314.389 2.071 10 0 DEAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)c2cnccc2C)C1 ZINC000886093704 692002323 /nfs/dbraw/zinc/00/23/23/692002323.db2.gz DAIITXSDAUTEAF-OIISXLGYSA-N 1 0 317.433 2.104 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1Nc1ccccc1S(=O)(=O)C(F)F ZINC000721975098 782418217 /nfs/dbraw/zinc/41/82/17/782418217.db2.gz ZRKXYZAEXCELSV-NSHDSACASA-N 1 0 304.362 2.093 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1Nc1ccc(I)cn1 ZINC000721987587 782495298 /nfs/dbraw/zinc/49/52/98/782495298.db2.gz DMFNNKFCOZZNEZ-VIFPVBQESA-N 1 0 317.174 2.096 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)NCCCCCC[NH3+])c1C ZINC000722594399 776538361 /nfs/dbraw/zinc/53/83/61/776538361.db2.gz SVUOMXURNMTBPL-UHFFFAOYSA-N 1 0 304.481 2.471 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1C ZINC000722596653 776543703 /nfs/dbraw/zinc/54/37/03/776543703.db2.gz LTFYFXFAHMBFLR-QWHCGFSZSA-N 1 0 314.476 2.046 10 0 DEAERO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000723784782 777170638 /nfs/dbraw/zinc/17/06/38/777170638.db2.gz HENYAZJMPUYTIT-BDAKNGLRSA-N 1 0 323.245 2.127 10 0 DEAERO Brc1c[nH]c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)n1 ZINC000723979502 777214096 /nfs/dbraw/zinc/21/40/96/777214096.db2.gz XWVQVRLIILSDTD-MFKMUULPSA-N 1 0 314.227 2.467 10 0 DEAERO CC[C@@H]([NH2+]CCn1cc(Br)cn1)[C@@H]1CCCOC1 ZINC000724007739 777219810 /nfs/dbraw/zinc/21/98/10/777219810.db2.gz SLVIJIQOFCDKTL-DGCLKSJQSA-N 1 0 316.243 2.440 10 0 DEAERO C[C@@H](O)C1CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724041764 777228522 /nfs/dbraw/zinc/22/85/22/777228522.db2.gz OZSDOTLBVQXVIU-SCZZXKLOSA-N 1 0 305.287 2.028 10 0 DEAERO C[C@@H](CCOCc1ccccc1)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724629159 777411594 /nfs/dbraw/zinc/41/15/94/777411594.db2.gz QPSHZNPFKLKTQG-HPBDAGMYSA-N 1 0 305.418 2.375 10 0 DEAERO C[C@]1(c2cccc(C[NH2+]C3CCCCC3)c2)NC(=O)NC1=O ZINC000174330028 777469857 /nfs/dbraw/zinc/46/98/57/777469857.db2.gz FDOMMPIYDCRUAH-QGZVFWFLSA-N 1 0 301.390 2.164 10 0 DEAERO [NH3+]C[C@H](NS(=O)(=O)/C=C\c1ccc(F)cc1)C1CCCC1 ZINC000588599691 777576971 /nfs/dbraw/zinc/57/69/71/777576971.db2.gz UMGBNMZSNWJHAC-KVPUOBJLSA-N 1 0 312.410 2.233 10 0 DEAERO OCC[C@H]([NH2+]Cc1nc(Br)c[nH]1)C1CCCC1 ZINC000725090687 777582335 /nfs/dbraw/zinc/58/23/35/777582335.db2.gz XFFQNGRFZFENDU-JTQLQIEISA-N 1 0 302.216 2.203 10 0 DEAERO CC[C@@H]1c2ccsc2CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000722227409 778510925 /nfs/dbraw/zinc/51/09/25/778510925.db2.gz AWHUSVVQEGKBPV-WCQYABFASA-N 1 0 314.476 2.139 10 0 DEAERO C[C@@H]1C[C@H](N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c2nccn21 ZINC000722475601 778731556 /nfs/dbraw/zinc/73/15/56/778731556.db2.gz MKBKHAHIYOIFLI-WOPDTQHZSA-N 1 0 308.382 2.029 10 0 DEAERO CC(C)c1nnc2n1CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[C@@H]2C ZINC000439776381 781809726 /nfs/dbraw/zinc/80/97/26/781809726.db2.gz VUKFIFOTRNULKK-HZSPNIEDSA-N 1 0 319.453 2.178 10 0 DEAERO Cn1cncc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000721845488 787323963 /nfs/dbraw/zinc/32/39/63/787323963.db2.gz GGORZXFDICPUMQ-ZDUSSCGKSA-N 1 0 308.426 2.155 10 0 DEAERO C[C@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000722264947 787327312 /nfs/dbraw/zinc/32/73/12/787327312.db2.gz FBXYIASCGODGTQ-NIOBXDJOSA-N 1 0 323.481 2.457 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000722265406 787327941 /nfs/dbraw/zinc/32/79/41/787327941.db2.gz HEGQGBJTSIPHQW-ILXRZTDVSA-N 1 0 311.470 2.316 10 0 DEAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)C1 ZINC000722491058 787331643 /nfs/dbraw/zinc/33/16/43/787331643.db2.gz UIWXFNMZRKCTMI-YNEHKIRRSA-N 1 0 300.399 2.085 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC23CC(O)C3)C1 ZINC000725001954 787356191 /nfs/dbraw/zinc/35/61/91/787356191.db2.gz RBAFHNNNWGKTHZ-UEIFGIKUSA-N 1 0 310.438 2.325 10 0 DEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H](O)C2(C)C)C1 ZINC000393943054 789604159 /nfs/dbraw/zinc/60/41/59/789604159.db2.gz MLDLEUMKCXGWHA-CRWXNKLISA-N 1 0 312.454 2.429 10 0 DEAERO C[C@@H]1CCCN(Cc2cn(C)nc2Br)[C@@H]1CC[NH3+] ZINC000712435207 792187186 /nfs/dbraw/zinc/18/71/86/792187186.db2.gz LWDXGHUAWUSRDZ-ZYHUDNBSSA-N 1 0 315.259 2.132 10 0 DEAERO C[C@H]1CCCN(Cc2cn(C)nc2Br)[C@@H]1CC[NH3+] ZINC000712435191 792187200 /nfs/dbraw/zinc/18/72/00/792187200.db2.gz LWDXGHUAWUSRDZ-CMPLNLGQSA-N 1 0 315.259 2.132 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2Br)C1(C)C ZINC000712469114 792190547 /nfs/dbraw/zinc/19/05/47/792190547.db2.gz FIMZKIXUFSLIMR-WDEREUQCSA-N 1 0 316.243 2.476 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cn(C)nc1Br ZINC000713823137 792260959 /nfs/dbraw/zinc/26/09/59/792260959.db2.gz VLIRMBRJAPIDMC-GFCCVEGCSA-N 1 0 315.259 2.099 10 0 DEAERO COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714248328 792306499 /nfs/dbraw/zinc/30/64/99/792306499.db2.gz ANQRSJCPPDUZCJ-HAQNSBGRSA-N 1 0 303.811 2.014 10 0 DEAERO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000714613059 792321138 /nfs/dbraw/zinc/32/11/38/792321138.db2.gz HRXPPXIDDBEMCD-BRWVUGGUSA-N 1 0 318.417 2.412 10 0 DEAERO COC[C@H]1C[C@@H]([NH2+]Cc2c(Br)c(C)nn2C)C1 ZINC000714485558 792322208 /nfs/dbraw/zinc/32/22/08/792322208.db2.gz ZIGRSRVEGCTHPG-AOOOYVTPSA-N 1 0 302.216 2.006 10 0 DEAERO CCCn1cc(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC000714457326 792322854 /nfs/dbraw/zinc/32/28/54/792322854.db2.gz OAWHQVPTYHPWBE-LBPRGKRZSA-N 1 0 323.441 2.033 10 0 DEAERO CO[C@H]1C[C@H](C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000714751741 792334927 /nfs/dbraw/zinc/33/49/27/792334927.db2.gz PNXLIZJUBIXLKY-XYPYZODXSA-N 1 0 317.838 2.258 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000715138919 792395832 /nfs/dbraw/zinc/39/58/32/792395832.db2.gz YOAQWCODXNVVLX-CYUUQNCZSA-N 1 0 310.438 2.447 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)Nc2ccc(F)c(Br)c2)C1(F)F ZINC000715155347 792397598 /nfs/dbraw/zinc/39/75/98/792397598.db2.gz CMXZTMMCRQJISV-HZGVNTEJSA-N 1 0 323.112 2.367 10 0 DEAERO O=C(NC12CC[NH+](CC1)C2)c1ccsc1Br ZINC000715509238 792471686 /nfs/dbraw/zinc/47/16/86/792471686.db2.gz UIGTYGZJUHDYIB-UHFFFAOYSA-N 1 0 301.209 2.089 10 0 DEAERO CS(=O)(=O)C1CC([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000716137780 792563274 /nfs/dbraw/zinc/56/32/74/792563274.db2.gz CJNJTZSFDVRSDT-UHFFFAOYSA-N 1 0 307.337 2.371 10 0 DEAERO CC(C)S(=O)(=O)CC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000716163109 792571808 /nfs/dbraw/zinc/57/18/08/792571808.db2.gz ZTIIXLJJLWVVDO-UHFFFAOYSA-N 1 0 311.447 2.147 10 0 DEAERO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000247070341 798381350 /nfs/dbraw/zinc/38/13/50/798381350.db2.gz IVFCKYTZODFMRS-AGIUHOORSA-N 1 0 302.374 2.474 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000216125467 799379145 /nfs/dbraw/zinc/37/91/45/799379145.db2.gz QIMMFEVAMJOWGQ-BKVNPXPRSA-N 1 0 314.838 2.310 10 0 DEAERO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H](CO)C2CCC2)CC1 ZINC000717585172 799425596 /nfs/dbraw/zinc/42/55/96/799425596.db2.gz XQCAGKUEAUSWPF-OAHLLOKOSA-N 1 0 312.454 2.384 10 0 DEAERO C[C@H]([NH2+][C@H](CO)C1CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000717591943 799425637 /nfs/dbraw/zinc/42/56/37/799425637.db2.gz GHJXGFQFZZQPOX-NWANDNLSSA-N 1 0 312.454 2.383 10 0 DEAERO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cnc(Cl)cn1 ZINC000178739852 801694301 /nfs/dbraw/zinc/69/43/01/801694301.db2.gz MJIIEKUKUHCWBP-GFCCVEGCSA-N 1 0 308.813 2.124 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000401684937 801841238 /nfs/dbraw/zinc/84/12/38/801841238.db2.gz MUECVJLDTOIXQG-AAEUAGOBSA-N 1 0 306.410 2.386 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)O)CN(C(=O)OC(C)(C)C)C1 ZINC000401715448 801844512 /nfs/dbraw/zinc/84/45/12/801844512.db2.gz HBRHUGGWJGUFRI-CHWSQXEVSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404790424 802031112 /nfs/dbraw/zinc/03/11/12/802031112.db2.gz DRHFHOYMNAJINQ-VOAKCMCISA-N 1 0 300.443 2.285 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405229882 802044706 /nfs/dbraw/zinc/04/47/06/802044706.db2.gz FWIJGNXOHGLUES-ZOBORPQBSA-N 1 0 312.454 2.429 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000725075629 1078801234 /nfs/dbraw/zinc/80/12/34/1078801234.db2.gz XGLBJPRXSOOSBC-GFCCVEGCSA-N 1 0 302.465 2.257 10 0 DEAERO CC(=O)N1CCC([NH2+]CCCN(C)c2ccccc2F)CC1 ZINC000077507275 1080478498 /nfs/dbraw/zinc/47/84/98/1080478498.db2.gz HLNRCRBVCWQFEY-UHFFFAOYSA-N 1 0 307.413 2.253 10 0 DEAERO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000717947659 1081844726 /nfs/dbraw/zinc/84/47/26/1081844726.db2.gz ZLVICWGHYOXEKP-UHFFFAOYSA-N 1 0 316.445 2.320 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1cncnc1 ZINC000721040772 1085636234 /nfs/dbraw/zinc/63/62/34/1085636234.db2.gz DKYSQBYGZATHCY-UKRRQHHQSA-N 1 0 320.437 2.459 10 0 DEAERO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1cn(C)nc1Br ZINC000720668139 1085836418 /nfs/dbraw/zinc/83/64/18/1085836418.db2.gz AGRNURYHRWGNPL-ZJUUUORDSA-N 1 0 302.216 2.087 10 0 DEAERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccncc1Br ZINC000720830671 1086186977 /nfs/dbraw/zinc/18/69/77/1086186977.db2.gz SBQWAQIFNXHVIA-CHWSQXEVSA-N 1 0 324.222 2.153 10 0 DEAERO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000700082133 1086308993 /nfs/dbraw/zinc/30/89/93/1086308993.db2.gz AESDFLBIWGZOOJ-LXTVHRRPSA-N 1 0 310.438 2.258 10 0 DEAERO C[C@@H]([NH3+])c1cn(Cc2ccc(Br)c(F)c2F)nn1 ZINC000700999329 1086346603 /nfs/dbraw/zinc/34/66/03/1086346603.db2.gz GKRQPJQDYDUTJY-ZCFIWIBFSA-N 1 0 317.137 2.387 10 0 DEAERO CCCOCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702120445 1086408072 /nfs/dbraw/zinc/40/80/72/1086408072.db2.gz SLPNJRJGGNKHAV-PKOBYXMFSA-N 1 0 316.445 2.394 10 0 DEAERO CCNC(=S)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702275045 1086420409 /nfs/dbraw/zinc/42/04/09/1086420409.db2.gz APWCKJZXXGHPAF-DOTOQJQBSA-N 1 0 303.475 2.335 10 0 DEAERO C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000703316064 1086493738 /nfs/dbraw/zinc/49/37/38/1086493738.db2.gz XEPNHBOVQCESKS-JSGCOSHPSA-N 1 0 307.394 2.153 10 0 DEAERO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ccn1 ZINC000703461869 1086499231 /nfs/dbraw/zinc/49/92/31/1086499231.db2.gz IEXOSPHVGCJFBE-OAHLLOKOSA-N 1 0 321.421 2.116 10 0 DEAERO Cc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(Br)c1 ZINC000703548460 1086515569 /nfs/dbraw/zinc/51/55/69/1086515569.db2.gz WZHPIETXYLVHJE-XHDPSFHLSA-N 1 0 323.234 2.439 10 0 DEAERO CN(Cc1ccc(N)nn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000703910145 1086566821 /nfs/dbraw/zinc/56/68/21/1086566821.db2.gz ILKCPILTPIQSFC-KRWDZBQOSA-N 1 0 311.433 2.155 10 0 DEAERO COC[C@@H](C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000704448193 1086580584 /nfs/dbraw/zinc/58/05/84/1086580584.db2.gz BVYKLBDYINBCJF-ZBFHGGJFSA-N 1 0 306.406 2.412 10 0 DEAERO O[C@H](C[NH2+]CC[C@H]1CCSC1)COCc1cccs1 ZINC000704923979 1086596268 /nfs/dbraw/zinc/59/62/68/1086596268.db2.gz QDNGFLXWPHQDMI-QWHCGFSZSA-N 1 0 301.477 2.358 10 0 DEAERO CC[C@H](C(N)=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000706574176 1086641896 /nfs/dbraw/zinc/64/18/96/1086641896.db2.gz OUNNSOSFIHDMSI-QRQLOZEOSA-N 1 0 315.461 2.094 10 0 DEAERO C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000706641979 1086642982 /nfs/dbraw/zinc/64/29/82/1086642982.db2.gz FMQCXAYLLXIZDO-ZIAGYGMSSA-N 1 0 316.442 2.027 10 0 DEAERO CO[C@H](C)C[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000710110010 1086687762 /nfs/dbraw/zinc/68/77/62/1086687762.db2.gz RSMQSFUDVLMVJH-PWSUYJOCSA-N 1 0 316.323 2.131 10 0 DEAERO Cc1nc(CC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)cs1 ZINC000710862971 1086689682 /nfs/dbraw/zinc/68/96/82/1086689682.db2.gz FXGYOUWCBGSVNY-UHFFFAOYSA-N 1 0 311.451 2.451 10 0 DEAERO CC(C)(C)OC(=O)N1CC(C[NH2+]CCOCC(F)(F)F)C1 ZINC000710875561 1086690746 /nfs/dbraw/zinc/69/07/46/1086690746.db2.gz ONMGKIJPLLHDHF-UHFFFAOYSA-N 1 0 312.332 2.022 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000710956687 1086691732 /nfs/dbraw/zinc/69/17/32/1086691732.db2.gz CBIOCRWTEWNNTD-UAGQMJEPSA-N 1 0 304.434 2.391 10 0 DEAERO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1ccsc1Br ZINC000711251195 1087036016 /nfs/dbraw/zinc/03/60/16/1087036016.db2.gz SDTSUOAUQPLGDA-SECBINFHSA-N 1 0 317.252 2.372 10 0 DEAERO NC(=O)CC1CC([NH2+]Cc2ccsc2Br)C1 ZINC000718408230 1088528294 /nfs/dbraw/zinc/52/82/94/1088528294.db2.gz XRDHDDSWGYCDHD-UHFFFAOYSA-N 1 0 303.225 2.254 10 0 DEAERO C[C@@H]1CC[C@@H](C[NH3+])N(CCCS(=O)(=O)C(C)(C)C)[C@@H]1C ZINC000718737034 1088637710 /nfs/dbraw/zinc/63/77/10/1088637710.db2.gz YGSQZWJJVWDHPM-MCIONIFRSA-N 1 0 304.500 2.038 10 0 DEAERO CO[C@H]1CCC[C@@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)CC1 ZINC000718781288 1088649033 /nfs/dbraw/zinc/64/90/33/1088649033.db2.gz YTHKGJRZBGGOET-KGLIPLIRSA-N 1 0 303.468 2.139 10 0 DEAERO COC(=O)c1cc(C[NH2+]C[C@@]2(OC)CCSC2)cs1 ZINC000719266323 1088913845 /nfs/dbraw/zinc/91/38/45/1088913845.db2.gz BATRIFIBSCJKHW-ZDUSSCGKSA-N 1 0 301.433 2.146 10 0 DEAERO Cc1nc(CN2C[C@@H](C)[NH2+]C[C@H]2C)sc1Br ZINC000719250971 1088914500 /nfs/dbraw/zinc/91/45/00/1088914500.db2.gz HCPFWQHABHAEQR-HTQZYQBOSA-N 1 0 304.257 2.396 10 0 DEAERO O=C(NCc1ncc(Cl)s1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000719407182 1089131956 /nfs/dbraw/zinc/13/19/56/1089131956.db2.gz ADOBVUWAASPQCA-LLVKDONJSA-N 1 0 307.806 2.300 10 0 DEAERO O=C(CC[NH+]1CCCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000074693649 185009862 /nfs/dbraw/zinc/00/98/62/185009862.db2.gz NZCOJBUMFLQBLP-UHFFFAOYSA-N 1 0 321.852 2.475 10 0 DEAERO CCCOc1cccc(CCNC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000136520793 282087587 /nfs/dbraw/zinc/08/75/87/282087587.db2.gz XXDOABTZBGLNJB-INIZCTEOSA-N 1 0 319.449 2.411 10 0 DEAERO Brc1ccccc1Cc1noc(CC2C[NH2+]C2)n1 ZINC000081767705 192322138 /nfs/dbraw/zinc/32/21/38/192322138.db2.gz FXYRSJSAMHKZKF-UHFFFAOYSA-N 1 0 308.179 2.185 10 0 DEAERO C[NH2+][C@H]1c2ccccc2OC[C@H]1Sc1nnc(N(C)C)s1 ZINC000081769401 192322279 /nfs/dbraw/zinc/32/22/79/192322279.db2.gz VQKDAHAGDUIFMJ-NEPJUHHUSA-N 1 0 322.459 2.418 10 0 DEAERO C[NH2+][C@H](CSCCC(=O)OC)c1ccc(OC)c(OC)c1 ZINC000081789991 192323646 /nfs/dbraw/zinc/32/36/46/192323646.db2.gz SPVBNWVRPOTIAB-GFCCVEGCSA-N 1 0 313.419 2.261 10 0 DEAERO CC(C)COCCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000137589235 282096742 /nfs/dbraw/zinc/09/67/42/282096742.db2.gz ZOUOKSFLLPWMLE-UHFFFAOYSA-N 1 0 313.486 2.469 10 0 DEAERO C[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nc(C)cs1)OCCO2 ZINC000081870547 192332811 /nfs/dbraw/zinc/33/28/11/192332811.db2.gz PVDPTCFWQHUIKV-MNOVXSKESA-N 1 0 300.449 2.427 10 0 DEAERO CC[NH2+][C@H]1CCC2(C[C@H]1Sc1nnc(C)s1)OCCO2 ZINC000081873474 192332911 /nfs/dbraw/zinc/33/29/11/192332911.db2.gz JEUJHMGAVPTWCB-WDEREUQCSA-N 1 0 315.464 2.212 10 0 DEAERO CC[NH2+][C@H](c1ccccc1)[C@@H](CC)Sc1n[nH]c(=O)n1C ZINC000081880391 192333787 /nfs/dbraw/zinc/33/37/87/192333787.db2.gz FCMCDJDONASMIS-CHWSQXEVSA-N 1 0 306.435 2.330 10 0 DEAERO CCCc1ccc([C@@H](CSc2n[nH]c(=O)n2C)[NH2+]C)cc1 ZINC000081880468 192334152 /nfs/dbraw/zinc/33/41/52/192334152.db2.gz FUPRFYVUENWIPF-CYBMUJFWSA-N 1 0 306.435 2.114 10 0 DEAERO Cc1ccc([C@H]([NH3+])[C@H](C)Sc2n[nH]c(=O)n2C2CC2)cc1 ZINC000081880286 192334160 /nfs/dbraw/zinc/33/41/60/192334160.db2.gz RHFWWMMMHJKTPW-GXFFZTMASA-N 1 0 304.419 2.395 10 0 DEAERO Cn1c(SC[C@H]([NH3+])c2cccc3ccccc32)n[nH]c1=O ZINC000081880340 192334315 /nfs/dbraw/zinc/33/43/15/192334315.db2.gz CRICWQXNEYGKFR-ZDUSSCGKSA-N 1 0 300.387 2.054 10 0 DEAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1Sc1n[nH]c(=O)n1CC ZINC000081879827 192334317 /nfs/dbraw/zinc/33/43/17/192334317.db2.gz KSQFIVIWRIOXHT-UPJWGTAASA-N 1 0 312.483 2.486 10 0 DEAERO CCc1ccc([C@H]([NH3+])[C@H](C)Sc2n[nH]c(=O)n2CC)cc1 ZINC000081879653 192334416 /nfs/dbraw/zinc/33/44/16/192334416.db2.gz CORUQGROPHWUEW-GXFFZTMASA-N 1 0 306.435 2.334 10 0 DEAERO CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(C)cc1C ZINC000081922488 192338582 /nfs/dbraw/zinc/33/85/82/192338582.db2.gz PCHSXTHLQDRATE-GDBMZVCRSA-N 1 0 311.447 2.234 10 0 DEAERO C[C@H](NC(=O)N(C)C[C@H]1CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248401662 299071391 /nfs/dbraw/zinc/07/13/91/299071391.db2.gz MERPJDFTNKSQIW-ZMSDIMECSA-N 1 0 323.481 2.460 10 0 DEAERO COc1cccc(S(=O)(=O)[C@@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC000081923353 192339831 /nfs/dbraw/zinc/33/98/31/192339831.db2.gz NNVNOCJFRLVCOT-CVEARBPZSA-N 1 0 303.383 2.094 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1OCCOC(C)(C)C)OCCO2 ZINC000162809532 197593218 /nfs/dbraw/zinc/59/32/18/197593218.db2.gz XCPZKOFPJGEOFB-KGLIPLIRSA-N 1 0 301.427 2.092 10 0 DEAERO [NH3+]CCSCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000096757385 185386365 /nfs/dbraw/zinc/38/63/65/185386365.db2.gz XAKZDHBQZNUIPR-UHFFFAOYSA-N 1 0 300.453 2.216 10 0 DEAERO COc1ccc([C@@H]([NH3+])CS(=O)(=O)Cc2ccccc2)cc1 ZINC000081923595 192340171 /nfs/dbraw/zinc/34/01/71/192340171.db2.gz SQMLOJWATCQIDC-INIZCTEOSA-N 1 0 305.399 2.310 10 0 DEAERO C[C@@H]1[C@@H](O)CC[C@@H]1c1c(Br)cnn1CC[NH+](C)C ZINC000163360955 197625393 /nfs/dbraw/zinc/62/53/93/197625393.db2.gz PVLZJHRMRNDLCN-NHCYSSNCSA-N 1 0 316.243 2.082 10 0 DEAERO CN(C(=O)c1cccc(N2CC[NH+](C)CC2)n1)C1CCCCC1 ZINC000096780261 185387406 /nfs/dbraw/zinc/38/74/06/185387406.db2.gz SINALHNKZHGOGR-UHFFFAOYSA-N 1 0 316.449 2.238 10 0 DEAERO [NH3+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)c1ccc(F)cc1F ZINC000081932291 192340815 /nfs/dbraw/zinc/34/08/15/192340815.db2.gz RYXRRSHYMNQEBY-CABCVRRESA-N 1 0 309.337 2.363 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)CC(C)C)c1ccc(OC)c(OC)c1 ZINC000081928776 192341324 /nfs/dbraw/zinc/34/13/24/192341324.db2.gz IQAPZPIHUSIHRZ-CYBMUJFWSA-N 1 0 315.435 2.035 10 0 DEAERO C[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000081930533 192341860 /nfs/dbraw/zinc/34/18/60/192341860.db2.gz NUHQKGZXGQECRY-GJZGRUSLSA-N 1 0 311.447 2.135 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)[C@@H](C)CC)c1ccc2c(c1)OCO2 ZINC000081937928 192342685 /nfs/dbraw/zinc/34/26/85/192342685.db2.gz FALDYFCIXMEOIG-WCQYABFASA-N 1 0 313.419 2.279 10 0 DEAERO CC[NH+](CC)CCN[C@](C)(C(N)=O)c1ccc(F)cc1Cl ZINC000078900698 185125177 /nfs/dbraw/zinc/12/51/77/185125177.db2.gz KTVMZWZFOFJGIJ-HNNXBMFYSA-N 1 0 315.820 2.111 10 0 DEAERO COCCN(c1ccc(Cl)cc1CC[NH3+])[C@H](C)COC ZINC000164657885 197660265 /nfs/dbraw/zinc/66/02/65/197660265.db2.gz OIBOIMMPVNHUDW-GFCCVEGCSA-N 1 0 300.830 2.329 10 0 DEAERO [NH3+][C@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000081934080 192343319 /nfs/dbraw/zinc/34/33/19/192343319.db2.gz PWRXIGIIWCAXFX-GJZGRUSLSA-N 1 0 309.337 2.363 10 0 DEAERO CCC[NH2+][C@@H](CS(=O)(=O)CCOC)c1ccc(C)c(C)c1 ZINC000081943241 192343624 /nfs/dbraw/zinc/34/36/24/192343624.db2.gz KJXXBKYCMIYKCL-INIZCTEOSA-N 1 0 313.463 2.405 10 0 DEAERO CC[NH2+][C@H](c1ccccc1)[C@H](C(C)C)S(=O)(=O)CCOC ZINC000081943744 192344170 /nfs/dbraw/zinc/34/41/70/192344170.db2.gz CYZHIPDCACRWEJ-CVEARBPZSA-N 1 0 313.463 2.423 10 0 DEAERO COC(=O)[C@H](NC(=O)CC[C@H](CC[NH3+])C(C)(C)C)C(C)C ZINC000079292168 185163818 /nfs/dbraw/zinc/16/38/18/185163818.db2.gz BOYNEKMQCVDQFK-TZMCWYRMSA-N 1 0 300.443 2.092 10 0 DEAERO CC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)CC1 ZINC000079308579 185164278 /nfs/dbraw/zinc/16/42/78/185164278.db2.gz JSLJBMARROGGLY-GFCCVEGCSA-N 1 0 314.426 2.485 10 0 DEAERO Cc1ncc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)cn1 ZINC000328600941 282155179 /nfs/dbraw/zinc/15/51/79/282155179.db2.gz DPMPMMNEYAZAKJ-MRXNPFEDSA-N 1 0 302.422 2.198 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)CC[C@@H](C)CC[NH3+])c1 ZINC000079190480 185161225 /nfs/dbraw/zinc/16/12/25/185161225.db2.gz OYGJHGQKOJRMSH-SNVBAGLBSA-N 1 0 311.813 2.403 10 0 DEAERO Cn1cc([C@H](C[NH3+])Sc2ccc(Br)cn2)cn1 ZINC000079423979 185170621 /nfs/dbraw/zinc/17/06/21/185170621.db2.gz JMRFRQQGWIXMET-JTQLQIEISA-N 1 0 313.224 2.370 10 0 DEAERO Cc1ccnc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000082337442 185176429 /nfs/dbraw/zinc/17/64/29/185176429.db2.gz LRLKJNWUTYQANN-UHFFFAOYSA-N 1 0 310.401 2.394 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](S(=O)(=O)c2ccccc2Br)C1 ZINC000082820013 185208307 /nfs/dbraw/zinc/20/83/07/185208307.db2.gz IYHPVQZMSZLMGP-RKDXNWHRSA-N 1 0 304.209 2.103 10 0 DEAERO CCC(CC)CS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246501656 282171680 /nfs/dbraw/zinc/17/16/80/282171680.db2.gz XTHTVIMIFYHDNM-CABCVRRESA-N 1 0 302.484 2.311 10 0 DEAERO COc1ccc(F)cc1[C@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170830866 282180679 /nfs/dbraw/zinc/18/06/79/282180679.db2.gz XNDHLKYVIIQQID-WCQYABFASA-N 1 0 309.385 2.241 10 0 DEAERO CC[C@H](C[NH3+])Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000087386644 185223319 /nfs/dbraw/zinc/22/33/19/185223319.db2.gz LQZJPHPNUNVOQG-MRVPVSSYSA-N 1 0 314.304 2.268 10 0 DEAERO CC(C)[C@@H](C[NH3+])NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000087404507 185223820 /nfs/dbraw/zinc/22/38/20/185223820.db2.gz FQNCPECYKHQABD-SNVBAGLBSA-N 1 0 311.234 2.255 10 0 DEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1snnc1C(C)(C)C ZINC000087456067 185225685 /nfs/dbraw/zinc/22/56/85/185225685.db2.gz NFOPHUHKSXQDKQ-NSHDSACASA-N 1 0 310.467 2.440 10 0 DEAERO CCCc1nnsc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000087455403 185225745 /nfs/dbraw/zinc/22/57/45/185225745.db2.gz VOVQDRZRUATGSQ-NEPJUHHUSA-N 1 0 308.451 2.095 10 0 DEAERO C[NH2+]Cc1nccn1Cc1cc(OC)ccc1Br ZINC000087790578 185231989 /nfs/dbraw/zinc/23/19/89/185231989.db2.gz DHIJKJXESSDACN-UHFFFAOYSA-N 1 0 310.195 2.422 10 0 DEAERO CC[NH2+]CCN(C)Cc1cc(OC)ccc1Br ZINC000087789363 185232039 /nfs/dbraw/zinc/23/20/39/185232039.db2.gz MSDGDYBSRNRTCL-UHFFFAOYSA-N 1 0 301.228 2.499 10 0 DEAERO COc1ccc(Br)c(CC2(O)CC[NH+](C)CC2)c1 ZINC000087790726 185232182 /nfs/dbraw/zinc/23/21/82/185232182.db2.gz OQWMQUFADVTAHP-UHFFFAOYSA-N 1 0 314.223 2.457 10 0 DEAERO C[NH2+][C@@H](c1sccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000087630644 185229453 /nfs/dbraw/zinc/22/94/53/185229453.db2.gz QJQPSNIBVYANCE-VXNVDRBHSA-N 1 0 324.265 2.206 10 0 DEAERO CNC(=O)c1cc(NC(=O)C(C)(C)C(C)(C)[NH3+])ccc1Cl ZINC000087627839 185229515 /nfs/dbraw/zinc/22/95/15/185229515.db2.gz PGCODABLEVTSPW-UHFFFAOYSA-N 1 0 311.813 2.402 10 0 DEAERO [NH3+][C@@H]1CC[C@@](O)(Cc2ccc(I)cc2)C1 ZINC000087653946 185229715 /nfs/dbraw/zinc/22/97/15/185229715.db2.gz JUGMKMLNCNPMMV-VXGBXAGGSA-N 1 0 317.170 2.076 10 0 DEAERO CC(C)(C[C@@H]([NH3+])c1cc2c(cc1Cl)OCCCO2)C(N)=O ZINC000087722262 185230984 /nfs/dbraw/zinc/23/09/84/185230984.db2.gz XGUHNLYRRNYZTM-LLVKDONJSA-N 1 0 312.797 2.403 10 0 DEAERO C[C@@]1(CNc2nc(NN)[nH+]cc2Br)CCCS1 ZINC000087896513 185235729 /nfs/dbraw/zinc/23/57/29/185235729.db2.gz PVCWZFORTNTZNW-JTQLQIEISA-N 1 0 318.244 2.222 10 0 DEAERO O[C@@H]1CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1nc2cccnc2s1 ZINC000328807388 231353952 /nfs/dbraw/zinc/35/39/52/231353952.db2.gz MBYXOPPWDJBAMY-MRVWCRGKSA-N 1 0 319.430 2.053 10 0 DEAERO Cn1ccnc1C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000328809589 231355370 /nfs/dbraw/zinc/35/53/70/231355370.db2.gz MEHGIPJSDYYJHT-AWEZNQCLSA-N 1 0 323.400 2.163 10 0 DEAERO [NH3+]C[C@]1(Nc2ccccc2Br)CN2CCC1CC2 ZINC000087914551 185237307 /nfs/dbraw/zinc/23/73/07/185237307.db2.gz OLCKWHKBYHZBAK-AWEZNQCLSA-N 1 0 310.239 2.284 10 0 DEAERO CC[NH2+]C[C@@H]1CC[C@@H]1n1cc(I)cn1 ZINC000087923943 185237540 /nfs/dbraw/zinc/23/75/40/185237540.db2.gz HRJBEUYGZPIDBL-WPRPVWTQSA-N 1 0 305.163 2.048 10 0 DEAERO CC(C)[NH2+]C[C@@H]1CC[C@H]1n1cc(I)cn1 ZINC000087923965 185237651 /nfs/dbraw/zinc/23/76/51/185237651.db2.gz PASAWQPQNHHEFP-GXSJLCMTSA-N 1 0 319.190 2.437 10 0 DEAERO COc1ccc(C[C@@]2(C[NH3+])CCC[C@H]2O)cc1Br ZINC000087931855 185237697 /nfs/dbraw/zinc/23/76/97/185237697.db2.gz IUEKBQCTFDGMNW-ZIAGYGMSSA-N 1 0 314.223 2.490 10 0 DEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@@H]1COc2ccccc2C1 ZINC000088021717 185237887 /nfs/dbraw/zinc/23/78/87/185237887.db2.gz GJAXBWARSKLAER-GJZGRUSLSA-N 1 0 311.447 2.041 10 0 DEAERO O[C@H](CNc1ccc(Br)c(F)c1)C[NH+]1CCCC1 ZINC000088084119 185239104 /nfs/dbraw/zinc/23/91/04/185239104.db2.gz HBQDNVJWKFDDKM-LLVKDONJSA-N 1 0 317.202 2.457 10 0 DEAERO CCO[C@H]1CCC[N@H+](Cc2ccc(OC)c(C(N)=S)c2)C1 ZINC000087832557 185232614 /nfs/dbraw/zinc/23/26/14/185232614.db2.gz UXCVQSLYXOVMMX-ZDUSSCGKSA-N 1 0 308.447 2.330 10 0 DEAERO C[C@H](C(=O)N(C)C)n1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837055 185233114 /nfs/dbraw/zinc/23/31/14/185233114.db2.gz CGTFFUBSDYKYLW-SSDOTTSWSA-N 1 0 311.183 2.030 10 0 DEAERO CC[NH+](CC)CCSc1nc(N)ncc1Br ZINC000087851761 185233635 /nfs/dbraw/zinc/23/36/35/185233635.db2.gz KBAJRNQPXQXPLX-UHFFFAOYSA-N 1 0 305.245 2.255 10 0 DEAERO Cc1c[nH+]c(NN)nc1NCc1cccc(Br)c1 ZINC000087864105 185233840 /nfs/dbraw/zinc/23/38/40/185233840.db2.gz JDCIMBASRWBVGW-UHFFFAOYSA-N 1 0 308.183 2.445 10 0 DEAERO O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc(F)cc1 ZINC000328929023 231391169 /nfs/dbraw/zinc/39/11/69/231391169.db2.gz YGVSQGAIJZBDDE-BBRMVZONSA-N 1 0 305.353 2.251 10 0 DEAERO COC[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccc1Br ZINC000088122696 185240203 /nfs/dbraw/zinc/24/02/03/185240203.db2.gz DLQVDVOQPOVNFI-MRVPVSSYSA-N 1 0 307.575 2.015 10 0 DEAERO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(N)c1 ZINC000088417043 185249076 /nfs/dbraw/zinc/24/90/76/185249076.db2.gz QTUCSQQXCIPGOX-NSHDSACASA-N 1 0 301.312 2.142 10 0 DEAERO CCOC(=O)[C@](C)(N)C[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088435074 185250150 /nfs/dbraw/zinc/25/01/50/185250150.db2.gz DSQSXZXKTGTEEA-NTZNESFSSA-N 1 0 310.360 2.320 10 0 DEAERO CCCN[C@@H](CC[NH+]1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000088435473 185250358 /nfs/dbraw/zinc/25/03/58/185250358.db2.gz KZMJJMPUFVXERK-LBPRGKRZSA-N 1 0 310.360 2.192 10 0 DEAERO CC[NH2+][C@](C)(C[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000088435656 185250475 /nfs/dbraw/zinc/25/04/75/185250475.db2.gz IBBHJZFCJKHKCP-ZWNOBZJWSA-N 1 0 310.360 2.492 10 0 DEAERO CCN[C@H](CC[NH+]1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC000088435616 185250596 /nfs/dbraw/zinc/25/05/96/185250596.db2.gz NRMQGCBGBLMSSZ-GFCCVEGCSA-N 1 0 310.360 2.192 10 0 DEAERO [NH3+]C[C@@](O)(CN1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000088439788 185250868 /nfs/dbraw/zinc/25/08/68/185250868.db2.gz LXRSRPLSAMJSJW-CQSZACIVSA-N 1 0 302.340 2.107 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)CCC(C)C)o1 ZINC000088544419 185256779 /nfs/dbraw/zinc/25/67/79/185256779.db2.gz QIYJNKRDEYRNBB-UHFFFAOYSA-N 1 0 302.440 2.446 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(C)C)CC2)o1 ZINC000088551295 185257415 /nfs/dbraw/zinc/25/74/15/185257415.db2.gz JZRXBHYQTZIVSI-CYBMUJFWSA-N 1 0 314.451 2.446 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCc3ccccc32)o1 ZINC000088543338 185256395 /nfs/dbraw/zinc/25/63/95/185256395.db2.gz ZCSBPSVINRTNIN-UHFFFAOYSA-N 1 0 306.387 2.141 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)CC)o1 ZINC000088551586 185257611 /nfs/dbraw/zinc/25/76/11/185257611.db2.gz LUXKMLPYWMSVCA-RYUDHWBXSA-N 1 0 302.440 2.492 10 0 DEAERO C[C@@H]([NH3+])c1csc(N2C(=O)c3cc(F)c(F)cc3C2=O)n1 ZINC000088570547 185258198 /nfs/dbraw/zinc/25/81/98/185258198.db2.gz LCOBVXNIPJHNGP-RXMQYKEDSA-N 1 0 309.297 2.242 10 0 DEAERO CCOC(=O)[C@H]1C[NH2+]CCN1c1ccc(C(F)(F)F)cc1 ZINC000088673254 185262277 /nfs/dbraw/zinc/26/22/77/185262277.db2.gz HHUHFGUUSHYDJA-GFCCVEGCSA-N 1 0 302.296 2.047 10 0 DEAERO COCC[NH2+]CCc1nnc([C@@H](OC)c2ccccc2)s1 ZINC000088824155 185266726 /nfs/dbraw/zinc/26/67/26/185266726.db2.gz JJWQNULVKVUNLQ-AWEZNQCLSA-N 1 0 307.419 2.052 10 0 DEAERO CC[C@@H]([NH3+])[C@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000081982635 192349212 /nfs/dbraw/zinc/34/92/12/192349212.db2.gz HVJBLQIAEUEZQY-GZMMTYOYSA-N 1 0 306.225 2.349 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2CCC[C@H]1S(=O)(=O)CCCOC ZINC000081985275 192349510 /nfs/dbraw/zinc/34/95/10/192349510.db2.gz APWQVULISPAEGD-HZPDHXFCSA-N 1 0 311.447 2.103 10 0 DEAERO CCC[C@@H]1CC[C@H]([NH2+]CC)[C@H](S(=O)(=O)CCCOC)C1 ZINC000081985369 192350065 /nfs/dbraw/zinc/35/00/65/192350065.db2.gz HQMNIYSITPOTQM-QLFBSQMISA-N 1 0 305.484 2.385 10 0 DEAERO CC[C@H]([C@@H]([NH2+]C)c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000081989828 192350462 /nfs/dbraw/zinc/35/04/62/192350462.db2.gz WANRGNCJJDLSAD-CVEARBPZSA-N 1 0 311.447 2.320 10 0 DEAERO OC[C@@H](c1cc(Cl)ccc1Br)N1CC[NH2+]CC1 ZINC000090252638 185288069 /nfs/dbraw/zinc/28/80/69/185288069.db2.gz MYJUAHMVTCNIGX-LBPRGKRZSA-N 1 0 319.630 2.041 10 0 DEAERO COC(C[C@](C)(C[NH3+])N(C)Cc1ccc(Cl)cc1)OC ZINC000090265797 185288516 /nfs/dbraw/zinc/28/85/16/185288516.db2.gz SWOSWYNRNGUTCH-OAHLLOKOSA-N 1 0 300.830 2.498 10 0 DEAERO C[C@](O)(CO)C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000090285299 185289412 /nfs/dbraw/zinc/28/94/12/185289412.db2.gz MYQPZFIZOUIHTK-QIMFLAQGSA-N 1 0 314.223 2.028 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(C)cc1Cl ZINC000090293302 185289958 /nfs/dbraw/zinc/28/99/58/185289958.db2.gz AKTPMEZIJMGOAS-UHFFFAOYSA-N 1 0 302.827 2.021 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000090293259 185289972 /nfs/dbraw/zinc/28/99/72/185289972.db2.gz STPNDIKOTWMHPO-UHFFFAOYSA-N 1 0 323.245 2.366 10 0 DEAERO CCCN(C1C[NH2+]C1)S(=O)(=O)c1cccc(Cl)c1C ZINC000090293359 185289990 /nfs/dbraw/zinc/28/99/90/185289990.db2.gz DWPABRRVKGMPJF-UHFFFAOYSA-N 1 0 302.827 2.021 10 0 DEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1cc(Cl)ccc1Cl ZINC000090312175 185290489 /nfs/dbraw/zinc/29/04/89/185290489.db2.gz OENGANLAOZRFSW-TUAOUCFPSA-N 1 0 303.189 2.228 10 0 DEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cccc(Br)c1 ZINC000090325214 185291058 /nfs/dbraw/zinc/29/10/58/185291058.db2.gz FTUIFBDOBYUEIN-XWIASGKRSA-N 1 0 309.207 2.129 10 0 DEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000090330258 185291184 /nfs/dbraw/zinc/29/11/84/185291184.db2.gz VOMNRHMWMURQFZ-SOCHQFKDSA-N 1 0 302.205 2.392 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)COc1cccc(Cl)c1 ZINC000090336136 185291631 /nfs/dbraw/zinc/29/16/31/185291631.db2.gz ZRWXTMZVMJJYHL-RISCZKNCSA-N 1 0 308.809 2.175 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1Cc1nnc(-c2cccs2)o1 ZINC000090338195 185291760 /nfs/dbraw/zinc/29/17/60/185291760.db2.gz LYZGDGFMZWMVSP-GHMZBOCLSA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1ccccc1Cl ZINC000090338157 185291905 /nfs/dbraw/zinc/29/19/05/185291905.db2.gz CELHLBOLUPESII-VXGBXAGGSA-N 1 0 307.825 2.208 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1 ZINC000090337858 185291972 /nfs/dbraw/zinc/29/19/72/185291972.db2.gz UWENSBTZPNRWBO-SMDDNHRTSA-N 1 0 307.825 2.208 10 0 DEAERO CCCSc1nsc(NC(=O)CSCCC[NH3+])n1 ZINC000090344749 185292086 /nfs/dbraw/zinc/29/20/86/185292086.db2.gz WQQPHPCDHCTKOI-UHFFFAOYSA-N 1 0 306.482 2.061 10 0 DEAERO C[C@@H](CC[NH3+])SCC(=O)NCCc1cccc(Cl)c1 ZINC000090354920 185292378 /nfs/dbraw/zinc/29/23/78/185292378.db2.gz XEGFDCGLECFODB-NSHDSACASA-N 1 0 300.855 2.469 10 0 DEAERO [NH3+][C@@H]1COC[C@@H]1c1nc(-c2cc(Br)cs2)no1 ZINC000090364818 185292851 /nfs/dbraw/zinc/29/28/51/185292851.db2.gz ZUDZIDCKPUASMF-NKWVEPMBSA-N 1 0 316.180 2.002 10 0 DEAERO Cc1cc(C)n(CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000090474182 185298368 /nfs/dbraw/zinc/29/83/68/185298368.db2.gz KNCPCOBTASHPSE-UHFFFAOYSA-N 1 0 306.454 2.127 10 0 DEAERO C[NH2+][C@@H]1COC[C@H]1c1nc2cc(Br)ccc2n1C ZINC000090388591 185294103 /nfs/dbraw/zinc/29/41/03/185294103.db2.gz DFJBPGZXTHTOCX-MWLCHTKSSA-N 1 0 310.195 2.038 10 0 DEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1COC[C@H]1[NH2+]C ZINC000090434238 185296069 /nfs/dbraw/zinc/29/60/69/185296069.db2.gz OXBPVDPUTAQCON-DGCLKSJQSA-N 1 0 312.797 2.302 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000090435301 185296113 /nfs/dbraw/zinc/29/61/13/185296113.db2.gz ORRWGMJJXKTEDT-RRFJBIMHSA-N 1 0 308.809 2.238 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)N(Cc1cccc(Cl)c1)C(C)C ZINC000090435004 185296327 /nfs/dbraw/zinc/29/63/27/185296327.db2.gz QKZPMXMQCMRHLV-LSDHHAIUSA-N 1 0 310.825 2.311 10 0 DEAERO CCCOc1ccc(NC(=O)[C@H]2COC[C@H]2[NH2+]C)cc1Cl ZINC000090434329 185296359 /nfs/dbraw/zinc/29/63/59/185296359.db2.gz JUZQDJNOOUZHKJ-WCQYABFASA-N 1 0 312.797 2.302 10 0 DEAERO C[C@@]1(C(=O)Nc2cc(Cl)cc3cccnc32)COC[C@H]1[NH3+] ZINC000090585369 185305201 /nfs/dbraw/zinc/30/52/01/185305201.db2.gz BIBSTIDOIDKIJV-IUODEOHRSA-N 1 0 305.765 2.191 10 0 DEAERO C[C@@]1(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)COC[C@H]1[NH3+] ZINC000090592017 185305813 /nfs/dbraw/zinc/30/58/13/185305813.db2.gz KFPPDRUYVLNKPB-GDBMZVCRSA-N 1 0 308.809 2.195 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090593640 185305950 /nfs/dbraw/zinc/30/59/50/185305950.db2.gz MRBRZIVGYPMDGB-OCCSQVGLSA-N 1 0 317.216 2.316 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000090539321 185301726 /nfs/dbraw/zinc/30/17/26/185301726.db2.gz JNULIIWOIDKVNH-ZYHUDNBSSA-N 1 0 305.403 2.249 10 0 DEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)cc1F ZINC000090541139 185301844 /nfs/dbraw/zinc/30/18/44/185301844.db2.gz MVEOJRZVPZBOOJ-MFKMUULPSA-N 1 0 300.761 2.432 10 0 DEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1c(F)cc(F)cc1F ZINC000090546560 185302181 /nfs/dbraw/zinc/30/21/81/185302181.db2.gz QQRXMKFYKHDRDV-CABZTGNLSA-N 1 0 302.296 2.057 10 0 DEAERO COC(=O)C1CCC(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000179510884 282227453 /nfs/dbraw/zinc/22/74/53/282227453.db2.gz HZHYKYJVFPOKFY-IYXRBSQSSA-N 1 0 312.454 2.058 10 0 DEAERO CC(C)C[NH2+]C[C@@H](O)C[S@](=O)Cc1ccc(Cl)cc1 ZINC000166614189 197694835 /nfs/dbraw/zinc/69/48/35/197694835.db2.gz BVOBPOOISRERQH-KUHUBIRLSA-N 1 0 303.855 2.195 10 0 DEAERO C[NH+](C)C[C@H]1CSCCCN1S(=O)(=O)C1CCCCC1 ZINC000090700387 185310550 /nfs/dbraw/zinc/31/05/50/185310550.db2.gz ZRTGZXOENBCENF-ZDUSSCGKSA-N 1 0 320.524 2.018 10 0 DEAERO CC[C@H]1CN(Cc2ccc(C(=O)OC)o2)CCN1CC(F)F ZINC000179553607 282228759 /nfs/dbraw/zinc/22/87/59/282228759.db2.gz ATKUUGTZMFTQPF-NSHDSACASA-N 1 0 316.348 2.228 10 0 DEAERO CCCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C ZINC000092388678 185315104 /nfs/dbraw/zinc/31/51/04/185315104.db2.gz CBGNLYUKWOVPMR-CVEARBPZSA-N 1 0 311.447 2.485 10 0 DEAERO Nc1nc2cc(Br)cnc2n1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000092575670 185326793 /nfs/dbraw/zinc/32/67/93/185326793.db2.gz ZARLQIJDSZYXIJ-SNVBAGLBSA-N 1 0 322.210 2.185 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(C(N)=S)CCCCC1 ZINC000092631814 185330313 /nfs/dbraw/zinc/33/03/13/185330313.db2.gz NMSZJLKELRPOJF-ZDUSSCGKSA-N 1 0 311.495 2.166 10 0 DEAERO C[NH2+][C@H]1C(=O)Nc2cc(-n3ccc(C)n3)c(Br)cc21 ZINC000092776228 185339856 /nfs/dbraw/zinc/33/98/56/185339856.db2.gz LMDCJAUYCCXKBW-GFCCVEGCSA-N 1 0 321.178 2.156 10 0 DEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](S(=O)(=O)c1ccccc1)C2 ZINC000092859109 185346915 /nfs/dbraw/zinc/34/69/15/185346915.db2.gz UEXANDPBEIDJCQ-HZPDHXFCSA-N 1 0 303.383 2.094 10 0 DEAERO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000092793241 185341741 /nfs/dbraw/zinc/34/17/41/185341741.db2.gz OOOUIXSDKWWHNE-ZACQAIPSSA-N 1 0 308.466 2.384 10 0 DEAERO C[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1Sc1nnc(C)n1C ZINC000092911770 185348591 /nfs/dbraw/zinc/34/85/91/185348591.db2.gz UKEUKTBTKMRZCD-ZIAGYGMSSA-N 1 0 304.419 2.110 10 0 DEAERO C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(-n2cnnn2)cc1 ZINC000181487299 199304935 /nfs/dbraw/zinc/30/49/35/199304935.db2.gz WWWHDMAQCMOCTG-CQSZACIVSA-N 1 0 308.389 2.341 10 0 DEAERO CCc1nn(C)c(CC(=O)[C@@H](C[NH3+])c2ccccc2)c1Cl ZINC000168935174 197731506 /nfs/dbraw/zinc/73/15/06/197731506.db2.gz IFHUPHMGFMLYGA-LBPRGKRZSA-N 1 0 305.809 2.490 10 0 DEAERO CO[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[C@@H]1C ZINC000187673017 282288154 /nfs/dbraw/zinc/28/81/54/282288154.db2.gz QIZHFELKLMKIKY-SLTXQBBLSA-N 1 0 311.470 2.173 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000273958850 282307334 /nfs/dbraw/zinc/30/73/34/282307334.db2.gz ZABZAGYBLGVZJR-ZFWWWQNUSA-N 1 0 305.422 2.017 10 0 DEAERO CC(=O)c1cc(NC(=O)[C@H]2CCc3nc[nH]c3C2)ccc1F ZINC000614693609 362438133 /nfs/dbraw/zinc/43/81/33/362438133.db2.gz QKGKAYNRPOSUPV-JTQLQIEISA-N 1 0 301.321 2.495 10 0 DEAERO C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cc(F)ccc1F ZINC000091134716 539418667 /nfs/dbraw/zinc/41/86/67/539418667.db2.gz ULEOUNBQOVTTAC-KOLCDFICSA-N 1 0 300.374 2.237 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C(=O)OC)c1ccccc1F ZINC000245471987 282390572 /nfs/dbraw/zinc/39/05/72/282390572.db2.gz OLWAIXBNVUZIIA-XJKSGUPXSA-N 1 0 308.397 2.456 10 0 DEAERO C[C@@H]1CCC[C@@](C[NH3+])(NS(=O)(=O)c2ccc(F)cc2)C1 ZINC000111373853 185589647 /nfs/dbraw/zinc/58/96/47/185589647.db2.gz JVQWPPHJQXQFEK-BXUZGUMPSA-N 1 0 300.399 2.012 10 0 DEAERO CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](C)[NH+](CC)CC)C12CCC2 ZINC000246465124 282445322 /nfs/dbraw/zinc/44/53/22/282445322.db2.gz VECYXAQBXLLBBK-RRFJBIMHSA-N 1 0 311.470 2.364 10 0 DEAERO Brc1cnc(N2CCC[C@H](C[NH2+]C3CC3)C2)nc1 ZINC000111751482 185632979 /nfs/dbraw/zinc/63/29/79/185632979.db2.gz LMELCDDAUJKXOZ-SNVBAGLBSA-N 1 0 311.227 2.208 10 0 DEAERO CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000152306477 539536195 /nfs/dbraw/zinc/53/61/95/539536195.db2.gz QLJKMRAMRFBCGQ-QGZVFWFLSA-N 1 0 311.385 2.095 10 0 DEAERO CC[C@]1(C)C[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246663158 282457365 /nfs/dbraw/zinc/45/73/65/282457365.db2.gz LSARPKFWNXPBIA-YFHUEUNASA-N 1 0 308.466 2.307 10 0 DEAERO Cc1ccc2c(c1)CN(C(=O)N[C@H]1CCCC[NH2+]C1)CCO2 ZINC000333811429 282969915 /nfs/dbraw/zinc/96/99/15/282969915.db2.gz JJKJQOLFINQISY-HNNXBMFYSA-N 1 0 303.406 2.041 10 0 DEAERO C[C@H](CCOCc1ccccc1)[NH2+]C1CCN(C(N)=O)CC1 ZINC000286888133 219210906 /nfs/dbraw/zinc/21/09/06/219210906.db2.gz CVXYYSMBJBVHNW-CQSZACIVSA-N 1 0 305.422 2.115 10 0 DEAERO [NH3+][C@H](C(=O)N1CCO[C@H](c2cccs2)C1)c1ccccc1 ZINC000156187455 539563034 /nfs/dbraw/zinc/56/30/34/539563034.db2.gz GAZKFCVSOQRMGH-ZFWWWQNUSA-N 1 0 302.399 2.348 10 0 DEAERO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)CSC)c(N)c1 ZINC000123808375 185844452 /nfs/dbraw/zinc/84/44/52/185844452.db2.gz SEYQUYJTFJNOND-LLVKDONJSA-N 1 0 311.451 2.289 10 0 DEAERO Cc1cnc(CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000158325244 539577031 /nfs/dbraw/zinc/57/70/31/539577031.db2.gz QVPRVGMQAMAETK-CYBMUJFWSA-N 1 0 310.467 2.371 10 0 DEAERO CCc1nn(CC)c(C[C@]2(F)CC[NH2+]C2)c1Br ZINC000126763554 185891415 /nfs/dbraw/zinc/89/14/15/185891415.db2.gz AWYJIRWNLKUPMS-GFCCVEGCSA-N 1 0 304.207 2.472 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000287000919 219263757 /nfs/dbraw/zinc/26/37/57/219263757.db2.gz KCYWSXUKLKSKGG-NEPJUHHUSA-N 1 0 314.476 2.128 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(F)c2Br)C1 ZINC000126992115 185910787 /nfs/dbraw/zinc/91/07/87/185910787.db2.gz CTJUCDCVKYJGDW-DTWKUNHWSA-N 1 0 315.186 2.398 10 0 DEAERO CC(C)(C)OC(=O)Nc1cccc([C@H]2CN(CC[NH3+])CCO2)c1 ZINC000616646853 362903562 /nfs/dbraw/zinc/90/35/62/362903562.db2.gz NLAYMXGIDGHNQF-OAHLLOKOSA-N 1 0 321.421 2.366 10 0 DEAERO CC(C)(C)OC(=O)Nc1cccc([C@@H]2COCCN2CC[NH3+])c1 ZINC000616641047 362903635 /nfs/dbraw/zinc/90/36/35/362903635.db2.gz SZTAIZVMNBNZQF-HNNXBMFYSA-N 1 0 321.421 2.366 10 0 DEAERO CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@H]1C[NH3+] ZINC000616680682 362908986 /nfs/dbraw/zinc/90/89/86/362908986.db2.gz OHGMEMUMENXUOJ-OAHLLOKOSA-N 1 0 305.422 2.069 10 0 DEAERO CO[C@@H](C)c1nc(C)c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000176103032 539625961 /nfs/dbraw/zinc/62/59/61/539625961.db2.gz SMKLHNXTUYDEFL-NWDGAFQWSA-N 1 0 323.462 2.373 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)c2coc(Br)c2)C[N@@H+]1C1CC1 ZINC000177185238 539629295 /nfs/dbraw/zinc/62/92/95/539629295.db2.gz PYCPSSTWRRXZDF-SCZZXKLOSA-N 1 0 313.195 2.397 10 0 DEAERO COCc1cc(N2CCC([NH3+])CC2)nc(-c2ccc(F)cc2)n1 ZINC000070451884 190894717 /nfs/dbraw/zinc/89/47/17/190894717.db2.gz LTBJEOKQMKFFMV-UHFFFAOYSA-N 1 0 316.380 2.357 10 0 DEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000181035342 539648235 /nfs/dbraw/zinc/64/82/35/539648235.db2.gz RUJDYWBDYIHEDP-RYUDHWBXSA-N 1 0 311.389 2.167 10 0 DEAERO COc1ccc(OC)c(-c2cc(N3CCC[C@@H]([NH3+])C3)n[nH]2)c1 ZINC000070460141 190898635 /nfs/dbraw/zinc/89/86/35/190898635.db2.gz VFKLPYYYDHIIAF-LLVKDONJSA-N 1 0 302.378 2.021 10 0 DEAERO C[C@@H]([NH3+])Cc1c(-n2cc(C(F)(F)F)cn2)nc2sccn12 ZINC000070468159 190899617 /nfs/dbraw/zinc/89/96/17/190899617.db2.gz BMQXQPDXLBYCRT-SSDOTTSWSA-N 1 0 315.324 2.490 10 0 DEAERO CC[NH2+]C[C@H]1CC[C@@H](COc2cncc(Br)c2)O1 ZINC000070488003 190902861 /nfs/dbraw/zinc/90/28/61/190902861.db2.gz KWHNYXWVEMXSJL-NEPJUHHUSA-N 1 0 315.211 2.380 10 0 DEAERO C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)[C@@H]1CCCO1 ZINC000183098453 539659769 /nfs/dbraw/zinc/65/97/69/539659769.db2.gz BEMZAKXPUTXDQM-AAEUAGOBSA-N 1 0 319.430 2.416 10 0 DEAERO CC(C)(C[NH3+])CCCn1cc(I)cn1 ZINC000083641220 192376649 /nfs/dbraw/zinc/37/66/49/192376649.db2.gz GUUYNYODIUKSCL-UHFFFAOYSA-N 1 0 307.179 2.253 10 0 DEAERO CSc1ccc(OCCN2CCO[C@]3(CCOC3)C2)cc1 ZINC000185196316 539670983 /nfs/dbraw/zinc/67/09/83/539670983.db2.gz APZUOMCNHJVXOP-MRXNPFEDSA-N 1 0 309.431 2.279 10 0 DEAERO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1nnc(C2CCC2)n1C ZINC000191672173 539702996 /nfs/dbraw/zinc/70/29/96/539702996.db2.gz ONRYRGTYEDDPRL-QGZVFWFLSA-N 1 0 306.454 2.456 10 0 DEAERO Cc1cc(-n2cccn2)ccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000190797991 539696762 /nfs/dbraw/zinc/69/67/62/539696762.db2.gz BKIGYGRPQKODMO-HNNXBMFYSA-N 1 0 313.405 2.349 10 0 DEAERO CCN(c1ccccc1S(=O)(=O)C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000071314367 190956945 /nfs/dbraw/zinc/95/69/45/190956945.db2.gz QBOQYGJFHTTZPR-JTQLQIEISA-N 1 0 322.352 2.168 10 0 DEAERO CC[C@@H]1CN(Cc2cccc(OC)c2F)CC[N@@H+]1CCOC ZINC000192950872 539710362 /nfs/dbraw/zinc/71/03/62/539710362.db2.gz JYBIBWIJUYIOQR-OAHLLOKOSA-N 1 0 310.413 2.377 10 0 DEAERO CC(C)(C)[C@@H]1CN(CCCS(C)(=O)=O)[C@@H](C(C)(C)C)C[NH2+]1 ZINC000071347944 190960644 /nfs/dbraw/zinc/96/06/44/190960644.db2.gz ZPLLZWMWZVAFOB-UONOGXRCSA-N 1 0 318.527 2.156 10 0 DEAERO CC(C)n1c(C[NH3+])nnc1SC[C@@H]1COC2(CCCC2)O1 ZINC000071374445 190963565 /nfs/dbraw/zinc/96/35/65/190963565.db2.gz WFMVHMXNPLWFDA-NSHDSACASA-N 1 0 312.439 2.096 10 0 DEAERO Cc1c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)ccn1C ZINC000195106746 539720061 /nfs/dbraw/zinc/72/00/61/539720061.db2.gz IGTIUVYHSBQLSY-UHFFFAOYSA-N 1 0 321.490 2.425 10 0 DEAERO COc1cccc(N(CCC[NH3+])S(=O)(=O)CC(C)(C)C)c1 ZINC000083805421 192384200 /nfs/dbraw/zinc/38/42/00/192384200.db2.gz RSZGAVBVIXIUTI-UHFFFAOYSA-N 1 0 314.451 2.226 10 0 DEAERO Cc1ccc([S@](=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)cc1C ZINC000083998153 192395185 /nfs/dbraw/zinc/39/51/85/192395185.db2.gz LCMONPSJVSLLDQ-PDSXEYIOSA-N 1 0 309.431 2.034 10 0 DEAERO C[NH2+][C@@H](Cc1ncnn1C)c1ccc(Br)s1 ZINC000083974293 192393834 /nfs/dbraw/zinc/39/38/34/192393834.db2.gz SDIBEMJWJOWICI-ZETCQYMHSA-N 1 0 301.213 2.142 10 0 DEAERO [NH3+][C@H](C[S@](=O)Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000084004308 192394952 /nfs/dbraw/zinc/39/49/52/192394952.db2.gz TYEOPWRJOFTCEF-SZNDQCEHSA-N 1 0 303.383 2.364 10 0 DEAERO Cc1ccc([S@](=O)[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c(C)c1 ZINC000084000109 192395002 /nfs/dbraw/zinc/39/50/02/192395002.db2.gz GFIYXPNWHSZVSB-XLDJFRKUSA-N 1 0 309.431 2.034 10 0 DEAERO CCC[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000133322226 185974135 /nfs/dbraw/zinc/97/41/35/185974135.db2.gz GYJGAGQEEHGAIR-GFCCVEGCSA-N 1 0 318.389 2.118 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CN(c2ncc(Br)cc2Cl)CCO1 ZINC000235515351 539737228 /nfs/dbraw/zinc/73/72/28/539737228.db2.gz OAWFHPJKSPXYMZ-XVKPBYJWSA-N 1 0 320.618 2.050 10 0 DEAERO CCOC(=O)CCN(CCC[NH+](C)C)C(=O)c1ccccc1 ZINC000071606871 190993711 /nfs/dbraw/zinc/99/37/11/190993711.db2.gz MSUXOSLBOSHTCU-UHFFFAOYSA-N 1 0 306.406 2.034 10 0 DEAERO [NH3+]Cc1nc2cc(F)ccc2n1CC(=O)N1CCCCCC1 ZINC000071663616 191000073 /nfs/dbraw/zinc/00/00/73/191000073.db2.gz VOHLJRDMSYMOEA-UHFFFAOYSA-N 1 0 304.369 2.037 10 0 DEAERO CCCCN(C)C(=O)Cn1c(C[NH3+])nc2cc(Cl)ccc21 ZINC000071665991 191001460 /nfs/dbraw/zinc/00/14/60/191001460.db2.gz YGWZAJMOICYSFG-UHFFFAOYSA-N 1 0 308.813 2.407 10 0 DEAERO C[C@H]1CCCN(C(=O)c2nc3ccccn3c2C[NH+](C)C)C1 ZINC000071553648 190990378 /nfs/dbraw/zinc/99/03/78/190990378.db2.gz GALDAEVONLGPLV-ZDUSSCGKSA-N 1 0 300.406 2.268 10 0 DEAERO CC(C)[NH2+][C@@](C)(C[C@@H](C)Oc1cc(F)cc(F)c1)C(N)=O ZINC000084397189 192428224 /nfs/dbraw/zinc/42/82/24/192428224.db2.gz URTARKKRQJPCLI-BMIGLBTASA-N 1 0 300.349 2.364 10 0 DEAERO C[NH+](C)CCCNC(=O)Cc1csc(-c2ccc(N)cc2)n1 ZINC000071694149 191009035 /nfs/dbraw/zinc/00/90/35/191009035.db2.gz OVHQHBZKNBETJJ-UHFFFAOYSA-N 1 0 318.446 2.003 10 0 DEAERO O=C(NCCCC[NH+]1CCCC1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000133609080 185999617 /nfs/dbraw/zinc/99/96/17/185999617.db2.gz ARGISAGQQGUOCF-HZPDHXFCSA-N 1 0 309.454 2.073 10 0 DEAERO O=S(=O)(c1ccccc1N[C@@H]1CCC[NH2+]CC1)C(F)F ZINC000133694877 186007647 /nfs/dbraw/zinc/00/76/47/186007647.db2.gz OSSSNBQDRVVNHP-SNVBAGLBSA-N 1 0 304.362 2.237 10 0 DEAERO CC(=O)NC1CCN([C@@H](c2ccccc2Cl)[C@@H](C)[NH3+])CC1 ZINC000133737837 186010341 /nfs/dbraw/zinc/01/03/41/186010341.db2.gz VJRWGKWCLNGVCB-BDJLRTHQSA-N 1 0 309.841 2.329 10 0 DEAERO C[C@@H](NC(=O)c1ccc(Br)c(N)c1)c1ncc[nH]1 ZINC000138389948 186016290 /nfs/dbraw/zinc/01/62/90/186016290.db2.gz DSQPKJYZLICNEA-SSDOTTSWSA-N 1 0 309.167 2.245 10 0 DEAERO CC[NH+](CC)CC(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000138596153 186017991 /nfs/dbraw/zinc/01/79/91/186017991.db2.gz FEFRWGHQMCFWCZ-UHFFFAOYSA-N 1 0 319.449 2.122 10 0 DEAERO C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1 ZINC000139158975 186019967 /nfs/dbraw/zinc/01/99/67/186019967.db2.gz KFYMFLWHLAJQDP-NXEZZACHSA-N 1 0 318.389 2.233 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N2CCOCC2)C12CCCCC2 ZINC000245963031 539760012 /nfs/dbraw/zinc/76/00/12/539760012.db2.gz YLLGZWPMNPFVLS-YESZJQIVSA-N 1 0 310.482 2.425 10 0 DEAERO CC[N@@H+]1CC[C@H](CN2C(=O)C3(CC3)N[C@H]2c2cccs2)C1 ZINC000142252684 186032167 /nfs/dbraw/zinc/03/21/67/186032167.db2.gz CAUDFLMESZBQNW-GXTWGEPZSA-N 1 0 305.447 2.053 10 0 DEAERO CCC(CC)N(C)[C@@]1(C[NH3+])CCS(=O)(=O)c2ccccc21 ZINC000147646506 186041006 /nfs/dbraw/zinc/04/10/06/186041006.db2.gz APAZCQRZVFGQNG-MRXNPFEDSA-N 1 0 310.463 2.138 10 0 DEAERO COC(=O)[C@H](C)[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262263086 282673943 /nfs/dbraw/zinc/67/39/43/282673943.db2.gz GWUIQNORDOQPIA-BVUBDWEXSA-N 1 0 318.417 2.171 10 0 DEAERO C[C@H]1CCC[C@@H](C[NH3+])N1[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147723665 186041507 /nfs/dbraw/zinc/04/15/07/186041507.db2.gz YQFPXOBVWQURQL-KCQAQPDRSA-N 1 0 308.447 2.107 10 0 DEAERO CCCn1cc(S(=O)(=O)NCCCCC(C)C)cc1C[NH3+] ZINC000147913570 186042466 /nfs/dbraw/zinc/04/24/66/186042466.db2.gz XLXRWRBBLZOSKA-UHFFFAOYSA-N 1 0 315.483 2.461 10 0 DEAERO C[C@H]1OCC[C@@]1(C[NH3+])N(C)Cc1ccccc1Br ZINC000147946876 186042609 /nfs/dbraw/zinc/04/26/09/186042609.db2.gz ZBDKHNITJOIEEC-RISCZKNCSA-N 1 0 313.239 2.387 10 0 DEAERO C[C@H]1OCC[C@]1(C[NH3+])N(C)Cc1ccccc1Br ZINC000147946456 186042630 /nfs/dbraw/zinc/04/26/30/186042630.db2.gz ZBDKHNITJOIEEC-BXUZGUMPSA-N 1 0 313.239 2.387 10 0 DEAERO C[C@@H]1CN(Cc2cc(N)cc(Br)c2)C[C@@H]1[NH+](C)C ZINC000148122636 186043180 /nfs/dbraw/zinc/04/31/80/186043180.db2.gz ZVTFFKXQIFGYTL-YGRLFVJLSA-N 1 0 312.255 2.413 10 0 DEAERO CC[C@@H]1N[C@H](c2ccc(C)s2)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000142854772 186032618 /nfs/dbraw/zinc/03/26/18/186032618.db2.gz LWLGFDJXZBZOHB-IPYPFGDCSA-N 1 0 307.463 2.360 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](C)C(=O)N2CC[NH+]2CCCCC2)s1 ZINC000144039582 186034356 /nfs/dbraw/zinc/03/43/56/186034356.db2.gz OAGDDYYCMQNGJC-UKRRQHHQSA-N 1 0 307.463 2.361 10 0 DEAERO C[C@@H](CS(=O)(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000149491657 186049966 /nfs/dbraw/zinc/04/99/66/186049966.db2.gz HZVQVCWLMXHPSR-AWEZNQCLSA-N 1 0 310.463 2.371 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000149569343 186050774 /nfs/dbraw/zinc/05/07/74/186050774.db2.gz ONNQMJOOJTZOFS-VIFPVBQESA-N 1 0 305.300 2.336 10 0 DEAERO CCn1nc(C)c(Br)c1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000149600882 186051870 /nfs/dbraw/zinc/05/18/70/186051870.db2.gz ITSLIONXACGSIS-NXEZZACHSA-N 1 0 302.216 2.241 10 0 DEAERO C[NH2+][C@@H](Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000150023802 186054087 /nfs/dbraw/zinc/05/40/87/186054087.db2.gz JICSHWGWAJLLOQ-MNOVXSKESA-N 1 0 316.492 2.006 10 0 DEAERO Cc1sc(C[NH3+])cc1S(=O)(=O)NCCCC(F)(F)F ZINC000149980186 186054325 /nfs/dbraw/zinc/05/43/25/186054325.db2.gz UBGMMJPONWFISE-UHFFFAOYSA-N 1 0 316.370 2.136 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(N2CCN(CC(F)(F)F)CC2)cn1 ZINC000148568159 186045070 /nfs/dbraw/zinc/04/50/70/186045070.db2.gz LVPZCFVRAMQVSU-NSHDSACASA-N 1 0 302.344 2.046 10 0 DEAERO CCC[NH2+][C@@H]1CCCc2sc([C@H]3CCS(=O)(=O)C3)nc21 ZINC000150265685 186056346 /nfs/dbraw/zinc/05/63/46/186056346.db2.gz XHTCTECJDOLXBK-WDEREUQCSA-N 1 0 314.476 2.422 10 0 DEAERO Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3CCC(=O)N[C@H]3C)cc12 ZINC000287142578 219340418 /nfs/dbraw/zinc/34/04/18/219340418.db2.gz SIDVWRWAPDUCAD-JBLDHEPKSA-N 1 0 306.435 2.261 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1C ZINC000150805417 186067689 /nfs/dbraw/zinc/06/76/89/186067689.db2.gz LVDNGDBLRHXQQI-HOCLYGCPSA-N 1 0 317.433 2.087 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C[C@@H](C)O ZINC000152427329 186071575 /nfs/dbraw/zinc/07/15/75/186071575.db2.gz IEDIIUBGIBVQKW-OWCLPIDISA-N 1 0 311.470 2.052 10 0 DEAERO COc1cc(C)ccc1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000155707849 186104955 /nfs/dbraw/zinc/10/49/55/186104955.db2.gz RTIDXUVPIKGOBE-INIZCTEOSA-N 1 0 317.433 2.383 10 0 DEAERO Cc1ccc(Br)c(NC(=O)C[C@H]2COCC[NH2+]2)c1 ZINC000163979049 186145053 /nfs/dbraw/zinc/14/50/53/186145053.db2.gz GPBRGHMWCLXIBZ-JTQLQIEISA-N 1 0 313.195 2.075 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NC2CC(C)C2)cc(F)c1Cl ZINC000163997767 186145173 /nfs/dbraw/zinc/14/51/73/186145173.db2.gz ANWPADOAZUXMOT-UHFFFAOYSA-N 1 0 320.817 2.275 10 0 DEAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)Cc1c(F)cccc1F ZINC000164006117 186145552 /nfs/dbraw/zinc/14/55/52/186145552.db2.gz NIPMQKFKPVZVHW-WDEREUQCSA-N 1 0 305.390 2.309 10 0 DEAERO [NH3+]Cc1cn(CC(=O)NCC(F)(F)F)c2cc(Cl)ccc12 ZINC000163995905 186145681 /nfs/dbraw/zinc/14/56/81/186145681.db2.gz REVIAWAILMJUNO-UHFFFAOYSA-N 1 0 319.714 2.432 10 0 DEAERO COCCn1ncc(Br)c1[C@@H](F)[C@H]1CCC[NH2+]C1 ZINC000164011494 186146068 /nfs/dbraw/zinc/14/60/68/186146068.db2.gz NOILTYLXVCHMKK-ONGXEEELSA-N 1 0 320.206 2.302 10 0 DEAERO Cc1ccc([S@@](=O)CC(=O)Nc2ccccc2C[NH3+])cc1 ZINC000155914078 186123200 /nfs/dbraw/zinc/12/32/00/186123200.db2.gz AQHLMPGOJITCIH-OAQYLSRUSA-N 1 0 302.399 2.200 10 0 DEAERO C[NH2+]Cc1cc(Br)cnc1Oc1cc(C)nn1C ZINC000159553947 186126738 /nfs/dbraw/zinc/12/67/38/186126738.db2.gz UYFAUUNAVDHMGN-UHFFFAOYSA-N 1 0 311.183 2.398 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1ccc(F)cc1Br ZINC000159595366 186129614 /nfs/dbraw/zinc/12/96/14/186129614.db2.gz SQJOWCFWXZWRAM-JTQLQIEISA-N 1 0 319.174 2.281 10 0 DEAERO COc1ccc(Br)cc1C[NH2+]C[C@@H](C)[S@@](C)=O ZINC000159653815 186133066 /nfs/dbraw/zinc/13/30/66/186133066.db2.gz JUNMBZMVIRUHGF-XLFHBGCDSA-N 1 0 320.252 2.314 10 0 DEAERO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](C)[S@](C)=O ZINC000159647287 186133248 /nfs/dbraw/zinc/13/32/48/186133248.db2.gz ZPAQLNIESKNYDZ-XUSGNXJCSA-N 1 0 305.447 2.346 10 0 DEAERO COc1ccccc1[C@@H](C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171480409 186166879 /nfs/dbraw/zinc/16/68/79/186166879.db2.gz CROQHNYSOOWRNH-LSDHHAIUSA-N 1 0 302.418 2.495 10 0 DEAERO CCn1ncc(Br)c1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000164207579 186152188 /nfs/dbraw/zinc/15/21/88/186152188.db2.gz POSIFJREXSMGLN-VIFPVBQESA-N 1 0 300.200 2.238 10 0 DEAERO Cc1nn(C)c(Cl)c1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171316493 197917470 /nfs/dbraw/zinc/91/74/70/197917470.db2.gz JMZVQCULZDXVQA-UHFFFAOYSA-N 1 0 324.856 2.330 10 0 DEAERO Cc1ccc([C@@H](O)[C@@]2(C[NH3+])CCOC2)c(Br)c1 ZINC000164349344 186156349 /nfs/dbraw/zinc/15/63/49/186156349.db2.gz WXMDFDDFQRAOOB-CHWSQXEVSA-N 1 0 300.196 2.156 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000164372140 186157391 /nfs/dbraw/zinc/15/73/91/186157391.db2.gz MFMMHNNHVRTKFU-LBPRGKRZSA-N 1 0 300.200 2.380 10 0 DEAERO Cn1c2ccc(S(C)(=O)=O)cc2nc1C1([NH3+])CCCCC1 ZINC000164377283 186157988 /nfs/dbraw/zinc/15/79/88/186157988.db2.gz HRZXMOQTMOQAQS-UHFFFAOYSA-N 1 0 307.419 2.095 10 0 DEAERO CCn1ncc(Br)c1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000164412123 186158867 /nfs/dbraw/zinc/15/88/67/186158867.db2.gz IENKHMGIOKLDTL-RKDXNWHRSA-N 1 0 300.200 2.223 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cncnc2)cc1F ZINC000186019195 186232145 /nfs/dbraw/zinc/23/21/45/186232145.db2.gz RCSMMSXKLCEMTK-AWEZNQCLSA-N 1 0 314.364 2.107 10 0 DEAERO COc1ccc(C)cc1NC(=O)C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187987938 186239958 /nfs/dbraw/zinc/23/99/58/186239958.db2.gz HTGYJWCYEFOFKV-KSSFIOAISA-N 1 0 320.433 2.425 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)C1=Cc2ccccc2OC1 ZINC000191880786 186269279 /nfs/dbraw/zinc/26/92/79/186269279.db2.gz ZOUJZVZITWIWSV-ZDUSSCGKSA-N 1 0 324.446 2.070 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000617008723 362995172 /nfs/dbraw/zinc/99/51/72/362995172.db2.gz KUNNQXGPMDICSL-MRXNPFEDSA-N 1 0 317.433 2.272 10 0 DEAERO Cc1csc(NC(=O)c2cnc([C@@H]3CCC[N@@H+](C)C3)cn2)n1 ZINC000072365609 191134529 /nfs/dbraw/zinc/13/45/29/191134529.db2.gz GLXDKTUSSBTAGA-LLVKDONJSA-N 1 0 317.418 2.303 10 0 DEAERO CC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171889823 198001897 /nfs/dbraw/zinc/00/18/97/198001897.db2.gz LVLWLQXQLCKVGF-HNNXBMFYSA-N 1 0 316.405 2.265 10 0 DEAERO C[C@H](CCc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897277 198004342 /nfs/dbraw/zinc/00/43/42/198004342.db2.gz QKCIZOKMARHXRS-NVXWUHKLSA-N 1 0 301.434 2.497 10 0 DEAERO Cc1ccccc1-n1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000171954181 198014421 /nfs/dbraw/zinc/01/44/21/198014421.db2.gz WFGHQGXIKYKYEF-MRXNPFEDSA-N 1 0 310.401 2.101 10 0 DEAERO CC[NH+](CC)CCCN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000171931203 198009511 /nfs/dbraw/zinc/00/95/11/198009511.db2.gz ROAAMJODSFQEDZ-KRWDZBQOSA-N 1 0 303.450 2.456 10 0 DEAERO C[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CCCC1 ZINC000172191911 198055918 /nfs/dbraw/zinc/05/59/18/198055918.db2.gz YENCARFHCMJJMG-OAHLLOKOSA-N 1 0 323.481 2.319 10 0 DEAERO O=C(Cc1c[nH]c2ccc(F)cc12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172217271 198059702 /nfs/dbraw/zinc/05/97/02/198059702.db2.gz ZGQKDOMORFXLCM-CQSZACIVSA-N 1 0 301.365 2.156 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000333877422 282984019 /nfs/dbraw/zinc/98/40/19/282984019.db2.gz VPJWQJJBQWKKGC-HZPDHXFCSA-N 1 0 309.454 2.119 10 0 DEAERO COc1cc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1C ZINC000172254016 198066064 /nfs/dbraw/zinc/06/60/64/198066064.db2.gz AMFVZUKEZLUHGB-HOCLYGCPSA-N 1 0 317.433 2.382 10 0 DEAERO COC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000172261506 198067280 /nfs/dbraw/zinc/06/72/80/198067280.db2.gz ZXGCBUDJZANCDI-UAGQMJEPSA-N 1 0 317.433 2.252 10 0 DEAERO O=C(NCC1(c2cccc(F)c2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172498061 198106439 /nfs/dbraw/zinc/10/64/39/198106439.db2.gz SQBARSCZNISBPH-INIZCTEOSA-N 1 0 317.408 2.347 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3ccccc3n2)[C@H](C)C1 ZINC000172610234 198123394 /nfs/dbraw/zinc/12/33/94/198123394.db2.gz WCTPITGFTLYECZ-GDBMZVCRSA-N 1 0 314.433 2.066 10 0 DEAERO Cc1nnc([C@@H](C)N2CC[C@@H](Oc3cccnc3N(C)C)C2)o1 ZINC000329653754 539926423 /nfs/dbraw/zinc/92/64/23/539926423.db2.gz DZBAQUWVCPGZOF-DGCLKSJQSA-N 1 0 317.393 2.053 10 0 DEAERO Cc1cc(N2CCC([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)n[nH]1 ZINC000330270971 539936151 /nfs/dbraw/zinc/93/61/51/539936151.db2.gz VCTSSBWVQKDVQR-HYVNUMGLSA-N 1 0 316.449 2.234 10 0 DEAERO COc1cc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)ccc1Cl ZINC000333302868 539955197 /nfs/dbraw/zinc/95/51/97/539955197.db2.gz KNOSHCOFVXLKPN-GHMZBOCLSA-N 1 0 309.797 2.422 10 0 DEAERO CCC[C@@H](C)CC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173411611 198212171 /nfs/dbraw/zinc/21/21/71/198212171.db2.gz PRMQXDSNBYXGGB-KGLIPLIRSA-N 1 0 319.453 2.430 10 0 DEAERO CC(C)c1ccc([C@@H](C)NC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000333425418 539959206 /nfs/dbraw/zinc/95/92/06/539959206.db2.gz TWTPMAQTIWVUGL-CQSZACIVSA-N 1 0 317.433 2.255 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173512349 198222244 /nfs/dbraw/zinc/22/22/44/198222244.db2.gz HDGTUBKBADDKNS-NVXWUHKLSA-N 1 0 317.433 2.081 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)NCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000173598721 198231975 /nfs/dbraw/zinc/23/19/75/198231975.db2.gz STADQYKOLOOYPE-NVXWUHKLSA-N 1 0 318.465 2.247 10 0 DEAERO O=C(NCC1(c2ccccc2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173625691 198233245 /nfs/dbraw/zinc/23/32/45/198233245.db2.gz MVWIUMNMPPXLCS-QGZVFWFLSA-N 1 0 311.429 2.374 10 0 DEAERO COCc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173810955 198254522 /nfs/dbraw/zinc/25/45/22/198254522.db2.gz FULLKBGBODEYDT-RHSMWYFYSA-N 1 0 319.449 2.457 10 0 DEAERO c1c[nH]c([C@H]([NH2+][C@H]2CCc3nnnn3CC2)C2CCCCC2)n1 ZINC000333707444 539969459 /nfs/dbraw/zinc/96/94/59/539969459.db2.gz HXNROJMACJLFRH-DZGCQCFKSA-N 1 0 315.425 2.012 10 0 DEAERO O=C(N[C@H]1CCCOC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171610461 295856981 /nfs/dbraw/zinc/85/69/81/295856981.db2.gz CCPRIFCFFIIYAN-SJORKVTESA-N 1 0 323.481 2.463 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 ZINC000174182264 198302372 /nfs/dbraw/zinc/30/23/72/198302372.db2.gz MCHVOJAVEQPPOU-QGZVFWFLSA-N 1 0 301.434 2.453 10 0 DEAERO COc1cc(C[NH2+]C[C@@](C)(O)c2ccco2)cc2c1OCCO2 ZINC000174528581 198348264 /nfs/dbraw/zinc/34/82/64/198348264.db2.gz SRPILNNXZOVLNB-QGZVFWFLSA-N 1 0 319.357 2.057 10 0 DEAERO C[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(=O)c1cccc(F)c1 ZINC000174663961 198367738 /nfs/dbraw/zinc/36/77/38/198367738.db2.gz MRQQRRAUCAXLJD-XJKSGUPXSA-N 1 0 318.392 2.341 10 0 DEAERO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(OC)c2O)C1 ZINC000174757713 198380499 /nfs/dbraw/zinc/38/04/99/198380499.db2.gz UVDYFMIMPDJCKM-CYBMUJFWSA-N 1 0 306.406 2.205 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H](c3cccnc3)C3CC3)C[C@H]21 ZINC000333496868 282928064 /nfs/dbraw/zinc/92/80/64/282928064.db2.gz CXMDICACEUVSSL-QBPKDAKJSA-N 1 0 314.433 2.302 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H]2COc3ccccc32)C1 ZINC000176047656 198539782 /nfs/dbraw/zinc/53/97/82/198539782.db2.gz HUIUCNKNTZUNRI-ZFWWWQNUSA-N 1 0 303.406 2.246 10 0 DEAERO COc1ccc([C@H](C[NH3+])S(=O)(=O)c2ccccc2)cc1OC ZINC000008037448 354009168 /nfs/dbraw/zinc/00/91/68/354009168.db2.gz NBYPPYGMCWFBQS-INIZCTEOSA-N 1 0 321.398 2.178 10 0 DEAERO C[C@H](C[NH2+]C[C@H](O)c1ccccc1)NC(=O)Cc1ccccc1 ZINC000040504046 354169472 /nfs/dbraw/zinc/16/94/72/354169472.db2.gz NMIXRSULZCHUEE-QAPCUYQASA-N 1 0 312.413 2.057 10 0 DEAERO CCC[C@H]([NH3+])C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000236796176 202012888 /nfs/dbraw/zinc/01/28/88/202012888.db2.gz JHEJZZWONBURBW-JKSUJKDBSA-N 1 0 316.401 2.469 10 0 DEAERO O=S(=O)(c1ccccc1)N1CCC(C2CC[NH2+]CC2)CC1 ZINC000004298808 181094289 /nfs/dbraw/zinc/09/42/89/181094289.db2.gz YNRXVBAXTGHKJG-UHFFFAOYSA-N 1 0 308.447 2.087 10 0 DEAERO CCOC[C@H](C)[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000044425894 354235524 /nfs/dbraw/zinc/23/55/24/354235524.db2.gz NTYSUXLYGCSQKP-SWLSCSKDSA-N 1 0 301.814 2.232 10 0 DEAERO Cc1nn(C)cc1C[NH+]1CCC(c2nnc(C3CC3)[nH]2)CC1 ZINC000065287302 354681551 /nfs/dbraw/zinc/68/15/51/354681551.db2.gz MAAFVFDCBDFKOY-UHFFFAOYSA-N 1 0 300.410 2.104 10 0 DEAERO C[N@H+](CCCNC(=O)C1CCC(=O)CC1)Cc1ccccc1 ZINC000073405380 354957332 /nfs/dbraw/zinc/95/73/32/354957332.db2.gz ZWDSCJKUNIBTMA-UHFFFAOYSA-N 1 0 302.418 2.384 10 0 DEAERO COc1ccc(C(=O)N2CC[NH+]([C@@H](C)C3CC3)CC2)cc1OC ZINC000074766683 191357260 /nfs/dbraw/zinc/35/72/60/191357260.db2.gz XBHGBVDXYWNYNE-ZDUSSCGKSA-N 1 0 318.417 2.260 10 0 DEAERO Fc1cc(C[NH2+]CCCn2cncn2)ccc1Br ZINC000381640309 540122981 /nfs/dbraw/zinc/12/29/81/540122981.db2.gz KOSXOPUSDRUNTN-UHFFFAOYSA-N 1 0 313.174 2.360 10 0 DEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000073717270 191346306 /nfs/dbraw/zinc/34/63/06/191346306.db2.gz ZFOPWBXJVVWICS-STQMWFEESA-N 1 0 306.406 2.365 10 0 DEAERO CC(=O)Nc1ccc(C(=O)N2CC[NH+]([C@@H](C)C3CC3)CC2)cc1 ZINC000074884386 191379359 /nfs/dbraw/zinc/37/93/59/191379359.db2.gz LKNJWJQJYATODW-ZDUSSCGKSA-N 1 0 315.417 2.201 10 0 DEAERO COc1c(C)cc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1C ZINC000092188592 355619684 /nfs/dbraw/zinc/61/96/84/355619684.db2.gz VKISIYSCKFWLRO-MRXNPFEDSA-N 1 0 317.433 2.302 10 0 DEAERO CCc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)cc1 ZINC000077849427 191785361 /nfs/dbraw/zinc/78/53/61/191785361.db2.gz PXHUEOAXSMTFIY-CYBMUJFWSA-N 1 0 305.422 2.034 10 0 DEAERO O=C1CCCN1C[C@H](O)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000111684182 355749660 /nfs/dbraw/zinc/74/96/60/355749660.db2.gz JHGROFNMMSXGMC-INIZCTEOSA-N 1 0 322.836 2.288 10 0 DEAERO COc1ccc2nc(C(=O)NCCC[NH+]3CCCC3)ccc2c1 ZINC000078358403 191853303 /nfs/dbraw/zinc/85/33/03/191853303.db2.gz RJVPHRCVADDXHR-UHFFFAOYSA-N 1 0 313.401 2.459 10 0 DEAERO C[C@@H]1CN(c2ccc(C[NH2+]CC3=CCCOC3)cn2)C[C@@H](C)O1 ZINC000126504295 355816906 /nfs/dbraw/zinc/81/69/06/355816906.db2.gz UZEYMDNXEDSIBF-HUUCEWRRSA-N 1 0 317.433 2.132 10 0 DEAERO C[C@H](CCC(C)(C)C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000153841138 355938593 /nfs/dbraw/zinc/93/85/93/355938593.db2.gz KUVRVJOWHVRCNK-CABCVRRESA-N 1 0 313.486 2.347 10 0 DEAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)CS(C)(=O)=O ZINC000180843935 356064041 /nfs/dbraw/zinc/06/40/41/356064041.db2.gz NQOCZQJEYULOFD-KBPBESRZSA-N 1 0 321.446 2.204 10 0 DEAERO COCCN(CCOC)c1nc(C[NH2+]C(C)(C)C)cs1 ZINC000079944294 191987161 /nfs/dbraw/zinc/98/71/61/191987161.db2.gz GVQKVFFYNVPJCZ-UHFFFAOYSA-N 1 0 301.456 2.130 10 0 DEAERO CC[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCO1 ZINC000182385838 356124867 /nfs/dbraw/zinc/12/48/67/356124867.db2.gz ICHISXGYVYVYRF-RWMBFGLXSA-N 1 0 322.371 2.335 10 0 DEAERO COc1cc(C[NH2+][C@@H](C)[C@@H](C)CO)cc(Br)c1O ZINC000080204304 192013051 /nfs/dbraw/zinc/01/30/51/192013051.db2.gz MYNPJDWAZXTQGH-IUCAKERBSA-N 1 0 318.211 2.270 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ncn(C3CCCCC3)n2)C1 ZINC000184514555 356192815 /nfs/dbraw/zinc/19/28/15/356192815.db2.gz YXVWEZXCBKBPKK-CYBMUJFWSA-N 1 0 320.441 2.389 10 0 DEAERO C[C@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000185289891 356205682 /nfs/dbraw/zinc/20/56/82/356205682.db2.gz WHKQUTRIQXJXFD-LBPRGKRZSA-N 1 0 307.394 2.069 10 0 DEAERO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCC1(C)COC1 ZINC000185425739 356206679 /nfs/dbraw/zinc/20/66/79/356206679.db2.gz JDMGKPFNOVJZOT-UHFFFAOYSA-N 1 0 311.470 2.367 10 0 DEAERO [NH3+][C@H]1CCCO[C@@H]1c1ccc(I)cc1 ZINC000218131993 356273734 /nfs/dbraw/zinc/27/37/34/356273734.db2.gz MBUMLEVSISVLPF-WDEREUQCSA-N 1 0 303.143 2.470 10 0 DEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ncc(Br)cc1F ZINC000234363789 356286673 /nfs/dbraw/zinc/28/66/73/356286673.db2.gz XZQZVMZCKQMQSM-SECBINFHSA-N 1 0 302.191 2.371 10 0 DEAERO CNS(=O)(=O)c1ccc(OCC2([NH3+])CCCCCC2)cc1 ZINC000080901999 192199556 /nfs/dbraw/zinc/19/95/56/192199556.db2.gz MOULMCVKXQCXPX-UHFFFAOYSA-N 1 0 312.435 2.025 10 0 DEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)cn3)C[C@H]2C1 ZINC000398753355 283150520 /nfs/dbraw/zinc/15/05/20/283150520.db2.gz XDHJQIHGBCJYIV-MISXGVKJSA-N 1 0 311.223 2.437 10 0 DEAERO COC[C@@H](C)C[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000249939122 356331516 /nfs/dbraw/zinc/33/15/16/356331516.db2.gz SPZWSDJXTGWVGA-DZGCQCFKSA-N 1 0 311.495 2.488 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)N(Cc2cccs2)C[C@H]2CCCO2)C1 ZINC000250078448 356332073 /nfs/dbraw/zinc/33/20/73/356332073.db2.gz GSJXMEUAEPZIJT-BFHYXJOUSA-N 1 0 308.447 2.383 10 0 DEAERO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000262577939 356341949 /nfs/dbraw/zinc/34/19/49/356341949.db2.gz KOBDATYIJKJCHW-DGCLKSJQSA-N 1 0 316.380 2.415 10 0 DEAERO CC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400323179 283155642 /nfs/dbraw/zinc/15/56/42/283155642.db2.gz ANKWGAHOVAZYBG-MELADBBJSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H]([NH2+]CCC(C)(C)O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400788592 283158588 /nfs/dbraw/zinc/15/85/88/283158588.db2.gz RGCUZTWJUHRWRU-STQMWFEESA-N 1 0 300.443 2.383 10 0 DEAERO C[C@@H]([NH2+]CC1(CCO)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400725580 283158675 /nfs/dbraw/zinc/15/86/75/283158675.db2.gz PIFONAUOZDNRGI-KGLIPLIRSA-N 1 0 312.454 2.384 10 0 DEAERO O=C(c1ccccc1F)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328625499 356462668 /nfs/dbraw/zinc/46/26/68/356462668.db2.gz DFDSXJROAIIXRL-OAHLLOKOSA-N 1 0 313.376 2.473 10 0 DEAERO Brc1cc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)cs1 ZINC000404261628 283164811 /nfs/dbraw/zinc/16/48/11/283164811.db2.gz OLCPBIJSFNUCAK-MNOVXSKESA-N 1 0 317.252 2.073 10 0 DEAERO 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MGZYNJPYAMJEJU-NOZJJQNGSA-N 1 0 311.842 2.287 10 0 DEAERO CCC[NH2+][C@H](C)c1sc(N2CCn3cnnc3C2)nc1C ZINC000081544052 192288324 /nfs/dbraw/zinc/28/83/24/192288324.db2.gz WXJQJHHBCMRHNN-SNVBAGLBSA-N 1 0 306.439 2.124 10 0 DEAERO CCCCN(c1ccccc1)[C@]1(C[NH3+])CCCS(=O)(=O)C1 ZINC000081580809 192296248 /nfs/dbraw/zinc/29/62/48/192296248.db2.gz RVMBKKAKLKEERY-INIZCTEOSA-N 1 0 310.463 2.199 10 0 DEAERO COCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000081714835 192316857 /nfs/dbraw/zinc/31/68/57/192316857.db2.gz WGYHJDXIDUGOEN-CHWSQXEVSA-N 1 0 301.814 2.403 10 0 DEAERO CCC1(CC)CN(CCS(C)(=O)=O)C(CC)(CC)C[NH2+]1 ZINC000085520515 192514735 /nfs/dbraw/zinc/51/47/35/192514735.db2.gz XPXUYAOCBKCQGG-UHFFFAOYSA-N 1 0 304.500 2.054 10 0 DEAERO C[C@@]1(C2CC2)C[NH2+][C@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085529369 192514823 /nfs/dbraw/zinc/51/48/23/192514823.db2.gz YQDPHWZLWDKHKC-KBPBESRZSA-N 1 0 306.372 2.418 10 0 DEAERO CCOCCOc1ccccc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000236961262 202096046 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CCC[C@@H]1C[NH2+][C@@](C)(CC)CN1CCCS(=O)(=O)CC ZINC000086982517 192606403 /nfs/dbraw/zinc/60/64/03/192606403.db2.gz GMIHCXIZDGWUQQ-CABCVRRESA-N 1 0 304.500 2.054 10 0 DEAERO CC[C@H](C)[C@@H]1CN(CCCS(=O)(=O)CC)[C@@](C)(CC)C[NH2+]1 ZINC000086982499 192606516 /nfs/dbraw/zinc/60/65/16/192606516.db2.gz ODDQTNUMGQARIK-JYJNAYRXSA-N 1 0 318.527 2.300 10 0 DEAERO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)sc1Br ZINC000087018485 192611533 /nfs/dbraw/zinc/61/15/33/192611533.db2.gz ASQXVCVLWGUKFW-MRVPVSSYSA-N 1 0 303.225 2.382 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCc3ccccc3C2)s1 ZINC000088916506 192655711 /nfs/dbraw/zinc/65/57/11/192655711.db2.gz VURPCRMXRGIIPL-UHFFFAOYSA-N 1 0 322.455 2.215 10 0 DEAERO CCC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(CC)CC(C)C ZINC000088950142 192666396 /nfs/dbraw/zinc/66/63/96/192666396.db2.gz HTCOIVKZQVOYLC-HNNXBMFYSA-N 1 0 319.515 2.063 10 0 DEAERO Cc1oc(C)c(S(=O)(=O)N(C)CC(C)C)c1C[NH2+]C1CC1 ZINC000088948041 192664974 /nfs/dbraw/zinc/66/49/74/192664974.db2.gz ZGSIIOSVDUGNCM-UHFFFAOYSA-N 1 0 314.451 2.425 10 0 DEAERO CC(C)[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@H]2C)cs1 ZINC000088972441 192675293 /nfs/dbraw/zinc/67/52/93/192675293.db2.gz UCVWSLKBUHXXQA-LLVKDONJSA-N 1 0 302.465 2.419 10 0 DEAERO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)nc1)c1ccc(F)cc1 ZINC000584592214 357290019 /nfs/dbraw/zinc/29/00/19/357290019.db2.gz WVVVLBMCFPYDLY-HNNXBMFYSA-N 1 0 301.321 2.134 10 0 DEAERO CCC[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)[C@@H](C)C(C)C ZINC000088963290 192670729 /nfs/dbraw/zinc/67/07/29/192670729.db2.gz WIDLMEZUAKJMQD-LSDHHAIUSA-N 1 0 319.515 2.062 10 0 DEAERO CCc1ccc(C[NH3+])cc1S(=O)(=O)N(C)Cc1ccoc1 ZINC000088990650 192684133 /nfs/dbraw/zinc/68/41/33/192684133.db2.gz LTYVNOZWLGIQBM-UHFFFAOYSA-N 1 0 308.403 2.121 10 0 DEAERO C[NH+](C)CCn1cc(NCc2cnn(Cc3ccccc3)c2)cn1 ZINC000589650952 357488406 /nfs/dbraw/zinc/48/84/06/357488406.db2.gz NFWXTOMGRJBKMQ-UHFFFAOYSA-N 1 0 324.432 2.302 10 0 DEAERO Cc1cc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c(C)[nH]1 ZINC000591332155 357707127 /nfs/dbraw/zinc/70/71/27/357707127.db2.gz NRCRYHXDJAJJJQ-UHFFFAOYSA-N 1 0 305.422 2.006 10 0 DEAERO Cn1nc(C[NH2+]Cc2ccc(-n3cncn3)cc2)c2ccccc21 ZINC000591705043 357752244 /nfs/dbraw/zinc/75/22/44/357752244.db2.gz FAFNFEAGEBUEFP-UHFFFAOYSA-N 1 0 318.384 2.444 10 0 DEAERO CCC[C@H](C(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1)[NH+](C)C ZINC000179233808 199002153 /nfs/dbraw/zinc/00/21/53/199002153.db2.gz YGIYTCWVKZBNAE-DZGCQCFKSA-N 1 0 322.449 2.481 10 0 DEAERO CCN(CC(C)(C)O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179477390 199042606 /nfs/dbraw/zinc/04/26/06/199042606.db2.gz ZOEFJBZHTBQPRM-HZPDHXFCSA-N 1 0 319.449 2.234 10 0 DEAERO c1nn2ccccc2c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000179497938 199045698 /nfs/dbraw/zinc/04/56/98/199045698.db2.gz JHPCYTJUDWPEMT-UHFFFAOYSA-N 1 0 308.389 2.201 10 0 DEAERO COc1c(CN(C)C[C@@H]2COc3ccccc3O2)c(C)nn1C ZINC000179634623 199067832 /nfs/dbraw/zinc/06/78/32/199067832.db2.gz LJLFEJAYGXFRDV-CYBMUJFWSA-N 1 0 317.389 2.009 10 0 DEAERO C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccccn1)N1CCOCC1 ZINC000180042308 199111139 /nfs/dbraw/zinc/11/11/39/199111139.db2.gz QRKAQKZFVAKWFI-APWZRJJASA-N 1 0 311.429 2.481 10 0 DEAERO CCC[C@H](C)C[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000180132810 199121235 /nfs/dbraw/zinc/12/12/35/199121235.db2.gz BZQNBZRZJUJSDW-ROUUACIJSA-N 1 0 320.477 2.480 10 0 DEAERO CCCCN([C@@H](C)CC)S(=O)(=O)N1CCC(C[NH2+]C)CC1 ZINC000089005819 192693390 /nfs/dbraw/zinc/69/33/90/192693390.db2.gz YRAMVHHNUYUOPE-AWEZNQCLSA-N 1 0 319.515 2.063 10 0 DEAERO COc1cccc(C[C@@H]([NH2+][C@H]2CCc3ncnn3C2)C2CC2)c1 ZINC000180589734 199180610 /nfs/dbraw/zinc/18/06/10/199180610.db2.gz WQZIWALQHFCKJE-DOTOQJQBSA-N 1 0 312.417 2.212 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000180844344 199217079 /nfs/dbraw/zinc/21/70/79/199217079.db2.gz UKMQJUAXFSONNE-GOEBONIOSA-N 1 0 321.469 2.243 10 0 DEAERO Cc1cc(Cl)c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1C ZINC000180804400 199211471 /nfs/dbraw/zinc/21/14/71/199211471.db2.gz UFRFVHZSSFUTIN-ZDUSSCGKSA-N 1 0 310.825 2.359 10 0 DEAERO CCC[NH2+]CCCCS(=O)(=O)N(CC(F)(F)F)C(C)C ZINC000089008941 192694404 /nfs/dbraw/zinc/69/44/04/192694404.db2.gz OFCCWCLPJQVKOD-UHFFFAOYSA-N 1 0 318.405 2.369 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(Cl)cn2)C1 ZINC000180972895 199235708 /nfs/dbraw/zinc/23/57/08/199235708.db2.gz CHTJVOSPFMHWHT-GXTWGEPZSA-N 1 0 310.829 2.407 10 0 DEAERO NC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000281186167 283384358 /nfs/dbraw/zinc/38/43/58/283384358.db2.gz IAFDPQYAQUYMQF-ZACQAIPSSA-N 1 0 302.418 2.301 10 0 DEAERO CCc1nn(C)c(C[C@H]([NH3+])C[C@@H]2CCCO2)c1Br ZINC000089326823 192767908 /nfs/dbraw/zinc/76/79/08/192767908.db2.gz LTTNIQZJSCHLTG-ZJUUUORDSA-N 1 0 316.243 2.184 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])c2ccccn2)c1Br ZINC000089326720 192768753 /nfs/dbraw/zinc/76/87/53/192768753.db2.gz HSHUUSPDMACMSW-SECBINFHSA-N 1 0 309.211 2.383 10 0 DEAERO CC[NH2+]CCOCc1c(Br)c(CC)nn1CC ZINC000089351161 192772460 /nfs/dbraw/zinc/77/24/60/192772460.db2.gz CJDPAEVKSLGOOO-UHFFFAOYSA-N 1 0 304.232 2.354 10 0 DEAERO CCc1nn(CC)c(C[C@@H](CCOC)[NH2+]C)c1Br ZINC000089359301 192773228 /nfs/dbraw/zinc/77/32/28/192773228.db2.gz UHDNDLDSWDXLSL-SNVBAGLBSA-N 1 0 318.259 2.395 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccc(Br)o2)C[C@@H]1[NH+](C)C ZINC000089710262 192848466 /nfs/dbraw/zinc/84/84/66/192848466.db2.gz LXVNVILDNIJZCV-BDAKNGLRSA-N 1 0 301.184 2.064 10 0 DEAERO COCc1cccc(CC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000187200859 200076593 /nfs/dbraw/zinc/07/65/93/200076593.db2.gz LFEOKONQBLXSOU-QGZVFWFLSA-N 1 0 302.418 2.072 10 0 DEAERO Cc1cnccc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000187250700 200083308 /nfs/dbraw/zinc/08/33/08/200083308.db2.gz NNSXQMNGWAFAFJ-UHFFFAOYSA-N 1 0 304.438 2.310 10 0 DEAERO CC(C)N1C[C@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)[C@@H](C)C1 ZINC000187293572 200090230 /nfs/dbraw/zinc/09/02/30/200090230.db2.gz CQQDLARKENRVDA-YOEHRIQHSA-N 1 0 315.461 2.414 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000187919203 200176962 /nfs/dbraw/zinc/17/69/62/200176962.db2.gz IBXGMYBVZZVYJI-SWLSCSKDSA-N 1 0 321.396 2.212 10 0 DEAERO CO[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccncc2)CC[C@H]1C ZINC000188313490 200226156 /nfs/dbraw/zinc/22/61/56/200226156.db2.gz JULMTBPRWBIKRV-CJNGLKHVSA-N 1 0 300.406 2.339 10 0 DEAERO CCC[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)c1ccccc1 ZINC000515677041 283491403 /nfs/dbraw/zinc/49/14/03/283491403.db2.gz HKQBGMSLVPDZMN-INIZCTEOSA-N 1 0 319.449 2.054 10 0 DEAERO CC(C)N(CC[NH+](C)C)C(=O)c1nc(Br)cs1 ZINC000188953325 200326921 /nfs/dbraw/zinc/32/69/21/200326921.db2.gz WPOXCRDPSDBRGP-UHFFFAOYSA-N 1 0 320.256 2.318 10 0 DEAERO O[C@@H](COCc1ccccc1)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189228494 200367652 /nfs/dbraw/zinc/36/76/52/200367652.db2.gz BRFBJUIXLHUYAF-RTBURBONSA-N 1 0 319.445 2.455 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)c2ccnc(F)c2F)ccc1F ZINC000189391085 200392112 /nfs/dbraw/zinc/39/21/12/200392112.db2.gz SLLLLBVYGINISL-UHFFFAOYSA-N 1 0 323.318 2.491 10 0 DEAERO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ncc(C)c(OC)c2C)C1(C)C ZINC000189990386 200470844 /nfs/dbraw/zinc/47/08/44/200470844.db2.gz LZWWIUNPJWOQFJ-QAPCUYQASA-N 1 0 322.449 2.363 10 0 DEAERO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cnc(-c2ccncc2)s1 ZINC000442967973 238095715 /nfs/dbraw/zinc/09/57/15/238095715.db2.gz PXTQISDEEXZOBJ-RHMLRGBNSA-N 1 0 313.426 2.406 10 0 DEAERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(F)cc1N(C)C ZINC000125727405 299321810 /nfs/dbraw/zinc/32/18/10/299321810.db2.gz UHFIPQMGNITJJX-GUYCJALGSA-N 1 0 310.413 2.331 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000193199063 201005633 /nfs/dbraw/zinc/00/56/33/201005633.db2.gz INDMYDMHNBQBFL-SECBINFHSA-N 1 0 317.311 2.045 10 0 DEAERO COCCN1CC[N@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000193247708 201012808 /nfs/dbraw/zinc/01/28/08/201012808.db2.gz PVORJVYESXGONO-MRXNPFEDSA-N 1 0 318.461 2.207 10 0 DEAERO COc1ncccc1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000193323474 201029807 /nfs/dbraw/zinc/02/98/07/201029807.db2.gz PZNRDWQIHFJMIP-CQSZACIVSA-N 1 0 319.449 2.463 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccnn1C ZINC000193353649 201038250 /nfs/dbraw/zinc/03/82/50/201038250.db2.gz FYCDSCPDHXDMNV-DOMZBBRYSA-N 1 0 316.380 2.011 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nc3cccnc3s2)[C@H](C)C1 ZINC000193958962 201153184 /nfs/dbraw/zinc/15/31/84/201153184.db2.gz OJKZUSUIXHAICE-DGCLKSJQSA-N 1 0 318.446 2.494 10 0 DEAERO COC(=O)C(C)(C)[C@H]([NH2+]CCn1cccn1)c1ccccc1 ZINC000611406321 361593484 /nfs/dbraw/zinc/59/34/84/361593484.db2.gz OXPYXLNZWDYUMN-OAHLLOKOSA-N 1 0 301.390 2.413 10 0 DEAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccc(O)c1 ZINC000194661571 201270192 /nfs/dbraw/zinc/27/01/92/201270192.db2.gz GBBYXCVFNWOBAO-ZFWWWQNUSA-N 1 0 303.406 2.333 10 0 DEAERO C[C@@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)[S@](C)=O ZINC000090843180 192938031 /nfs/dbraw/zinc/93/80/31/192938031.db2.gz QZONBHXRYGERQQ-YCRPNKLZSA-N 1 0 308.491 2.050 10 0 DEAERO CC(=O)[C@@H](C)CCCCC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000620012287 363932471 /nfs/dbraw/zinc/93/24/71/363932471.db2.gz YIZYDMLQVXTBDG-YOEHRIQHSA-N 1 0 324.465 2.141 10 0 DEAERO CN(C[C@@H]1Cc2cc(Br)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090900129 192943849 /nfs/dbraw/zinc/94/38/49/192943849.db2.gz LBNWJJDLBHALNK-OLZOCXBDSA-N 1 0 311.223 2.046 10 0 DEAERO CCOCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620190709 363987275 /nfs/dbraw/zinc/98/72/75/363987275.db2.gz QMVVMTATCSLAAH-KRWDZBQOSA-N 1 0 316.445 2.441 10 0 DEAERO FC(F)(CNC1=[NH+]CCCN1)c1ccc(Br)cc1 ZINC000621246389 364316149 /nfs/dbraw/zinc/31/61/49/364316149.db2.gz ZWXSHLRVBJMYAB-UHFFFAOYSA-N 1 0 318.165 2.480 10 0 DEAERO CCn1cc(Br)cc1C(=O)NC1CC([NH+](C)C)C1 ZINC000622010212 364633413 /nfs/dbraw/zinc/63/34/13/364633413.db2.gz ZESSSKWHMKGRCQ-UHFFFAOYSA-N 1 0 314.227 2.093 10 0 DEAERO C[C@H]1c2ccccc2O[C@H]1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000246640728 291322079 /nfs/dbraw/zinc/32/20/79/291322079.db2.gz DUFYJAJRKFEBMF-JKIFEVAISA-N 1 0 302.418 2.399 10 0 DEAERO C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@H]([NH+](C)C)C1 ZINC000623014929 364856020 /nfs/dbraw/zinc/85/60/20/364856020.db2.gz AGLQTYVRXWXCHA-NWDGAFQWSA-N 1 0 318.446 2.259 10 0 DEAERO c1cn(CCC[NH2+]Cc2ccc3c(c2)OCCCCO3)nn1 ZINC000449237956 240241665 /nfs/dbraw/zinc/24/16/65/240241665.db2.gz DOUATXMUZQVUKW-UHFFFAOYSA-N 1 0 302.378 2.009 10 0 DEAERO c1cc(CN2CCO[C@@H](C[NH2+]C[C@H]3CC=CCC3)C2)ccn1 ZINC000623780499 365172129 /nfs/dbraw/zinc/17/21/29/365172129.db2.gz NGSFDTAHLPRJGB-WMZOPIPTSA-N 1 0 301.434 2.228 10 0 DEAERO CN1CCOC[C@@H]1C[NH2+]Cc1cccc(F)c1Br ZINC000623712739 365142123 /nfs/dbraw/zinc/14/21/23/365142123.db2.gz KGDRLLIRSOHSNI-NSHDSACASA-N 1 0 317.202 2.008 10 0 DEAERO C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623897626 365213451 /nfs/dbraw/zinc/21/34/51/365213451.db2.gz QJVXBCKFNJLLPU-QXAKKESOSA-N 1 0 318.461 2.171 10 0 DEAERO CN(Cc1cc(Br)cs1)c1cncc(C[NH3+])n1 ZINC000091420165 193053032 /nfs/dbraw/zinc/05/30/32/193053032.db2.gz KVFSJLXPWCIADN-UHFFFAOYSA-N 1 0 313.224 2.396 10 0 DEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)C(CC)(CC)N(C)C ZINC000091615160 193079494 /nfs/dbraw/zinc/07/94/94/193079494.db2.gz ZAIVJPHVZQTGKH-AWEZNQCLSA-N 1 0 306.516 2.300 10 0 DEAERO Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)CCCC[NH3+] ZINC000091479115 193062087 /nfs/dbraw/zinc/06/20/87/193062087.db2.gz RYOLGOGYHMQJIS-UHFFFAOYSA-N 1 0 310.341 2.494 10 0 DEAERO c1cc(CN2CCO[C@@H](C[NH2+][C@H]3CCCC34CC4)C2)ccn1 ZINC000624262607 365359856 /nfs/dbraw/zinc/35/98/56/365359856.db2.gz SVBXDAJKDNGXHT-IRXDYDNUSA-N 1 0 301.434 2.205 10 0 DEAERO CCS(=O)(=O)CCC[C@@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641753 193082276 /nfs/dbraw/zinc/08/22/76/193082276.db2.gz BUPGAPCSZICALN-OAHLLOKOSA-N 1 0 317.495 2.361 10 0 DEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(F)c(Br)c1 ZINC000624235585 365345145 /nfs/dbraw/zinc/34/51/45/365345145.db2.gz MSJPVTMUIQAQRS-HJIKLVIJSA-N 1 0 318.186 2.389 10 0 DEAERO CO[C@H](C)c1noc(CN2CCC[N@H+](CC(C)(C)C)CC2)n1 ZINC000091867627 193120309 /nfs/dbraw/zinc/12/03/09/193120309.db2.gz GIGFQFMIGADINI-CYBMUJFWSA-N 1 0 310.442 2.331 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000624407028 365413051 /nfs/dbraw/zinc/41/30/51/365413051.db2.gz RNDFRSXXTLOXNC-ZYHUDNBSSA-N 1 0 302.827 2.067 10 0 DEAERO COc1cc(F)cc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000091928390 193127721 /nfs/dbraw/zinc/12/77/21/193127721.db2.gz FVKFDBPSLPHCHZ-SWLSCSKDSA-N 1 0 323.412 2.458 10 0 DEAERO COc1c(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(C)nn1C ZINC000091960616 193131981 /nfs/dbraw/zinc/13/19/81/193131981.db2.gz NDUYSAGCWLZMHR-SWLSCSKDSA-N 1 0 303.410 2.017 10 0 DEAERO Brc1cn2c(C[NH2+]CCc3ccco3)cnc2cn1 ZINC000092049237 193148743 /nfs/dbraw/zinc/14/87/43/193148743.db2.gz YMYUFXZAHADNJX-UHFFFAOYSA-N 1 0 321.178 2.417 10 0 DEAERO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000155015901 283941572 /nfs/dbraw/zinc/94/15/72/283941572.db2.gz KZTNYTPUQRMVHT-GOEBONIOSA-N 1 0 320.433 2.350 10 0 DEAERO C[C@@H](NC(=O)[C@H]1CCCN1C1CC[NH2+]CC1)c1cccs1 ZINC000038043148 296101309 /nfs/dbraw/zinc/10/13/09/296101309.db2.gz LXTNIBJESDZUJV-TZMCWYRMSA-N 1 0 307.463 2.142 10 0 DEAERO CO[C@H]1CN(Cc2ccc(Br)cc2)[C@](C)(C[NH3+])C1 ZINC000630355848 367608341 /nfs/dbraw/zinc/60/83/41/367608341.db2.gz LOMSRWASDHOMGV-KGLIPLIRSA-N 1 0 313.239 2.387 10 0 DEAERO CO[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630374004 367616768 /nfs/dbraw/zinc/61/67/68/367616768.db2.gz MESWWRSVLPWZOU-HZMBPMFUSA-N 1 0 300.761 2.057 10 0 DEAERO Cc1cc(NCC2([NH3+])CCOCC2)ncc1Br ZINC000630523808 367705809 /nfs/dbraw/zinc/70/58/09/367705809.db2.gz DBJQCCNELQKACT-UHFFFAOYSA-N 1 0 300.200 2.072 10 0 DEAERO [NH3+]CCCOCCNc1ncc(Br)cc1Cl ZINC000630534451 367712150 /nfs/dbraw/zinc/71/21/50/367712150.db2.gz LDRUBPYKKRCJGJ-UHFFFAOYSA-N 1 0 308.607 2.275 10 0 DEAERO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000092093826 193156102 /nfs/dbraw/zinc/15/61/02/193156102.db2.gz ZNBYCFMLISEQNF-CQSZACIVSA-N 1 0 323.437 2.292 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c(C)s1 ZINC000092113860 193161207 /nfs/dbraw/zinc/16/12/07/193161207.db2.gz VPBZPRKJHFPIKJ-NXEZZACHSA-N 1 0 302.465 2.052 10 0 DEAERO CCN(C1CCCC1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115671 193163169 /nfs/dbraw/zinc/16/31/69/193163169.db2.gz MISNWHVMSDFFPH-UHFFFAOYSA-N 1 0 300.399 2.238 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)c(F)c1 ZINC000092115456 193163180 /nfs/dbraw/zinc/16/31/80/193163180.db2.gz LUWVDSXGIAUUEK-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H]2C)c(F)c1 ZINC000092115732 193163280 /nfs/dbraw/zinc/16/32/80/193163280.db2.gz MVYLPPIQHKLUPV-GFCCVEGCSA-N 1 0 314.426 2.497 10 0 DEAERO CCCCNS(=O)(=O)c1ccc(C[NH2+]CCC)cc1F ZINC000092115835 193163364 /nfs/dbraw/zinc/16/33/64/193163364.db2.gz MGKSQTNJKAVBFG-UHFFFAOYSA-N 1 0 302.415 2.404 10 0 DEAERO CCN(CC(C)C)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115638 193163410 /nfs/dbraw/zinc/16/34/10/193163410.db2.gz SPDHSJVGSCDWGG-UHFFFAOYSA-N 1 0 302.415 2.212 10 0 DEAERO CN(Cc1ccccc1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115510 193163594 /nfs/dbraw/zinc/16/35/94/193163594.db2.gz VLNOPXQLQRZTCO-UHFFFAOYSA-N 1 0 308.378 2.105 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)c(F)c1 ZINC000092115476 193163670 /nfs/dbraw/zinc/16/36/70/193163670.db2.gz ARXFHHGTKKPINJ-LLVKDONJSA-N 1 0 300.399 2.108 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)CC2)c(F)c1 ZINC000092116172 193164004 /nfs/dbraw/zinc/16/40/04/193164004.db2.gz GAUJSIHINBAERF-GFCCVEGCSA-N 1 0 314.426 2.356 10 0 DEAERO C=Cc1ccc(CC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)cc1 ZINC000631140028 368040170 /nfs/dbraw/zinc/04/01/70/368040170.db2.gz RKMCDHIWQMROEL-KRWDZBQOSA-N 1 0 312.417 2.290 10 0 DEAERO O=C([C@H]1CCCc2n[nH]cc21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000134304256 296117412 /nfs/dbraw/zinc/11/74/12/296117412.db2.gz BJXBZDPCLZNPNM-GJZGRUSLSA-N 1 0 316.449 2.307 10 0 DEAERO C[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000631844097 368419557 /nfs/dbraw/zinc/41/95/57/368419557.db2.gz VBWQLNWPQQOBPJ-NXEZZACHSA-N 1 0 316.232 2.459 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631992277 368484083 /nfs/dbraw/zinc/48/40/83/368484083.db2.gz AZOTVSMOMUXABA-OLZOCXBDSA-N 1 0 314.476 2.128 10 0 DEAERO CC[N@H+](CC(=O)Nc1ncc(Cl)cc1Cl)CC(C)(C)O ZINC000092982105 193191933 /nfs/dbraw/zinc/19/19/33/193191933.db2.gz PRKMRMUYTXJGCL-UHFFFAOYSA-N 1 0 320.220 2.420 10 0 DEAERO Brc1csc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000093011958 193193327 /nfs/dbraw/zinc/19/33/27/193193327.db2.gz MBWDJSGNXWNKFC-RKDXNWHRSA-N 1 0 318.240 2.181 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCSc2ccc(Cl)cc2)O1 ZINC000261772418 203113267 /nfs/dbraw/zinc/11/32/67/203113267.db2.gz MJJCOTFFGYKTBN-YPMHNXCESA-N 1 0 314.838 2.055 10 0 DEAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccc(Cl)c(F)c2)cn1 ZINC000261951252 203160857 /nfs/dbraw/zinc/16/08/57/203160857.db2.gz OJZGATDRNKJJOH-NEPJUHHUSA-N 1 0 322.771 2.154 10 0 DEAERO Cc1c(C[S@](C)=O)cccc1NC(=O)C1([NH3+])CCCCC1 ZINC000262491701 203307927 /nfs/dbraw/zinc/30/79/27/203307927.db2.gz XKNYWPMFDXFEPW-NRFANRHFSA-N 1 0 308.447 2.474 10 0 DEAERO NC(=O)c1cc(C(F)(F)F)ccc1O[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000093220075 193218460 /nfs/dbraw/zinc/21/84/60/193218460.db2.gz ZBZWBZMRQVWDTC-NXEZZACHSA-N 1 0 302.296 2.453 10 0 DEAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(CC)C[C@@H](C)CC ZINC000093265764 193222704 /nfs/dbraw/zinc/22/27/04/193222704.db2.gz QVXMYJUKCFXOLZ-LSDHHAIUSA-N 1 0 319.515 2.063 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)[C@@H](C)Cc1cccs1 ZINC000093272028 193223159 /nfs/dbraw/zinc/22/31/59/193223159.db2.gz KROPMLBWBYPDPG-NWANDNLSSA-N 1 0 310.463 2.152 10 0 DEAERO CCS(=O)(=O)CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000093470203 193256083 /nfs/dbraw/zinc/25/60/83/193256083.db2.gz PWWBVAYIYHERHA-KBPBESRZSA-N 1 0 301.452 2.035 10 0 DEAERO CC[C@]1(COC)C[NH+]=C(N)N1c1ccccc1Br ZINC000093382510 193241108 /nfs/dbraw/zinc/24/11/08/193241108.db2.gz QXLFHLSJXXKDLI-CYBMUJFWSA-N 1 0 312.211 2.379 10 0 DEAERO Cn1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(-c2cccnc2)n1 ZINC000093505835 193262571 /nfs/dbraw/zinc/26/25/71/193262571.db2.gz JTUFDYLXCROURQ-NVXWUHKLSA-N 1 0 312.417 2.483 10 0 DEAERO COc1cccc(C2CC([NH2+]CC(C)(C)S(C)(=O)=O)C2)c1 ZINC000093520771 193263107 /nfs/dbraw/zinc/26/31/07/193263107.db2.gz HEGATRDKJNQITL-UHFFFAOYSA-N 1 0 311.447 2.354 10 0 DEAERO C[C@@H]1CCC[C@]2(CSC(NCC(C)(C)S(C)(=O)=O)=[NH+]2)C1 ZINC000093524722 193264102 /nfs/dbraw/zinc/26/41/02/193264102.db2.gz JXDAGCJMGNHJEI-BXUZGUMPSA-N 1 0 318.508 2.451 10 0 DEAERO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC(C)(C)S(C)(=O)=O ZINC000093525393 193264352 /nfs/dbraw/zinc/26/43/52/193264352.db2.gz HBCXIDILLLROIB-GOOCMWNKSA-N 1 0 316.511 2.195 10 0 DEAERO CCC[NH2+][C@@]1(CO)CCC[C@H]1CCSc1nnc(C)n1C ZINC000093622282 193275559 /nfs/dbraw/zinc/27/55/59/193275559.db2.gz GPSGUNOBWOXANS-DZGCQCFKSA-N 1 0 312.483 2.137 10 0 DEAERO O=C(N[C@H]1CCCC[C@H]1n1cccn1)C1CC[NH+](C2CC2)CC1 ZINC000192670360 284170278 /nfs/dbraw/zinc/17/02/78/284170278.db2.gz QILWRXGJPZGXQR-DLBZAZTESA-N 1 0 316.449 2.357 10 0 DEAERO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCCC1 ZINC000093696815 193291577 /nfs/dbraw/zinc/29/15/77/193291577.db2.gz IJWQXRLCFHUPMJ-UONOGXRCSA-N 1 0 302.484 2.216 10 0 DEAERO CCC[NH2+][C@H](CC[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093697986 193292708 /nfs/dbraw/zinc/29/27/08/193292708.db2.gz XRKYZYZPWFJQPP-LSDHHAIUSA-N 1 0 304.500 2.462 10 0 DEAERO C[NH2+][C@@H]1CCCCC[C@@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698049 193292985 /nfs/dbraw/zinc/29/29/85/193292985.db2.gz PNGVPZJCXWWIEZ-RRFJBIMHSA-N 1 0 302.484 2.216 10 0 DEAERO CC[NH2+][C@H](CSC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700459 193293895 /nfs/dbraw/zinc/29/38/95/193293895.db2.gz BNXRRXILOYOGCB-KGLIPLIRSA-N 1 0 322.540 2.168 10 0 DEAERO Cc1cc([C@H]([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)ccc1F ZINC000093700053 193293899 /nfs/dbraw/zinc/29/38/99/193293899.db2.gz UMZHIXIQKYBZFR-IUODEOHRSA-N 1 0 314.426 2.196 10 0 DEAERO CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccsc1 ZINC000093699922 193293959 /nfs/dbraw/zinc/29/39/59/193293959.db2.gz KPFCZGOWKDWGOA-TZMCWYRMSA-N 1 0 316.492 2.460 10 0 DEAERO C[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000093700276 193294025 /nfs/dbraw/zinc/29/40/25/193294025.db2.gz ULEBUHQJMRRBLH-IUODEOHRSA-N 1 0 314.426 2.148 10 0 DEAERO Cc1ccc([C@@H]([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)cc1F ZINC000093699868 193294069 /nfs/dbraw/zinc/29/40/69/193294069.db2.gz LKGXIOZGPZKXIY-DOMZBBRYSA-N 1 0 314.426 2.196 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C)c1 ZINC000093699976 193294114 /nfs/dbraw/zinc/29/41/14/193294114.db2.gz MXBOXJMXUSXYRN-HOCLYGCPSA-N 1 0 310.463 2.317 10 0 DEAERO CCC[NH2+]CC/C=C(/C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093703161 193295881 /nfs/dbraw/zinc/29/58/81/193295881.db2.gz IEDIVUFEJKZPSY-GSHXUFRSSA-N 1 0 302.484 2.384 10 0 DEAERO C[NH2+][C@@H](CCC[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093702292 193295913 /nfs/dbraw/zinc/29/59/13/193295913.db2.gz GMMHPJZDOKSTNN-KGLIPLIRSA-N 1 0 304.500 2.462 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000093740405 193298112 /nfs/dbraw/zinc/29/81/12/193298112.db2.gz JWRASQPKOAJUCI-ZDUSSCGKSA-N 1 0 300.805 2.368 10 0 DEAERO [NH3+][C@]1(CO)CCC[C@H](Sc2nnc(C3CC3)n2C2CC2)C1 ZINC000093786495 193307473 /nfs/dbraw/zinc/30/74/73/193307473.db2.gz DNRULZKJQPLMDJ-SWLSCSKDSA-N 1 0 308.451 2.215 10 0 DEAERO COC(=O)[C@@]1(NC(C)C)CC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093831808 193314512 /nfs/dbraw/zinc/31/45/12/193314512.db2.gz JVGFNFGBFGPPJK-WCQYABFASA-N 1 0 310.360 2.333 10 0 DEAERO CCOC(=O)[C@@]1(N)CC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093831933 193314987 /nfs/dbraw/zinc/31/49/87/193314987.db2.gz FATSYPAJORRTNC-WCQYABFASA-N 1 0 308.344 2.074 10 0 DEAERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](n2ccnc2-c2cccs2)C1 ZINC000093833585 193315298 /nfs/dbraw/zinc/31/52/98/193315298.db2.gz ZTQZBNWFGQJFPZ-IAQYHMDHSA-N 1 0 304.419 2.170 10 0 DEAERO CCOC(=O)[C@@]1([NH3+])CC[C@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093850330 193317830 /nfs/dbraw/zinc/31/78/30/193317830.db2.gz CXHHLSBOICZDRC-ZUZCIYMTSA-N 1 0 305.403 2.468 10 0 DEAERO COC(=O)[C@]1([NH3+])CC[C@H](Sc2nc3cc(C)ccc3[nH]2)C1 ZINC000093852852 193318793 /nfs/dbraw/zinc/31/87/93/193318793.db2.gz ZLLKAPLWMJAMBR-BONVTDFDSA-N 1 0 305.403 2.386 10 0 DEAERO CC(C)[NH2+][C@]1(CO)CC[C@H](n2cc(Br)cn2)C1 ZINC000093857927 193319932 /nfs/dbraw/zinc/31/99/32/193319932.db2.gz ZOXGVBRZBDTCPD-NWDGAFQWSA-N 1 0 302.216 2.100 10 0 DEAERO CC(C)[NH2+][C@@]1(CO)CC[C@@H](n2cc(Br)cn2)C1 ZINC000093857930 193320005 /nfs/dbraw/zinc/32/00/05/193320005.db2.gz ZOXGVBRZBDTCPD-NEPJUHHUSA-N 1 0 302.216 2.100 10 0 DEAERO C[NH2+][C@@]1(CO)CC[C@@H](Sc2ncccc2Br)C1 ZINC000093861002 193320018 /nfs/dbraw/zinc/32/00/18/193320018.db2.gz YDKNCWKJJXJKFQ-SKDRFNHKSA-N 1 0 317.252 2.439 10 0 DEAERO CCC[NH2+][C@H]1CCCc2nc([C@@H]3CN(C)CCN3C)sc21 ZINC000093896229 193325840 /nfs/dbraw/zinc/32/58/40/193325840.db2.gz HKMBHALKBLIYEM-JSGCOSHPSA-N 1 0 308.495 2.438 10 0 DEAERO CC(C)([C@H]([NH3+])Cc1nc2ccccc2s1)N1CCOCC1 ZINC000094251474 193355273 /nfs/dbraw/zinc/35/52/73/193355273.db2.gz DPQVZHFSOGYBMV-CQSZACIVSA-N 1 0 305.447 2.277 10 0 DEAERO CC[NH2+][C@H](Cc1nc2ccccc2s1)[C@H]1CN(C)CCO1 ZINC000094251521 193355401 /nfs/dbraw/zinc/35/54/01/193355401.db2.gz YADFVFRLEPTRHX-ZIAGYGMSSA-N 1 0 305.447 2.148 10 0 DEAERO CCC[NH2+][C@@H]1[C@H](S(=O)(=O)C2CCOCC2)CCC1(C)C ZINC000094311585 193358242 /nfs/dbraw/zinc/35/82/42/193358242.db2.gz SGAJXYMLPJGJAE-ZIAGYGMSSA-N 1 0 303.468 2.137 10 0 DEAERO CCC[NH2+]CC1(CN(C)CCS(C)(=O)=O)CCCCCC1 ZINC000094300597 193359052 /nfs/dbraw/zinc/35/90/52/193359052.db2.gz GEVMWHSUGFEIRX-UHFFFAOYSA-N 1 0 318.527 2.303 10 0 DEAERO NC(=S)c1ccc(C(F)(F)F)nc1OCC[NH+]1CCCC1 ZINC000094336373 193361231 /nfs/dbraw/zinc/36/12/31/193361231.db2.gz NIFDDWJOVKOLCP-UHFFFAOYSA-N 1 0 319.352 2.209 10 0 DEAERO CCC[NH2+][C@H](C)c1ccc(N2C(=O)C(C)(C)S2(=O)=O)cc1 ZINC000094344200 193362384 /nfs/dbraw/zinc/36/23/84/193362384.db2.gz YWVCJPWYFXBJAH-LLVKDONJSA-N 1 0 310.419 2.202 10 0 DEAERO CCNC(=O)CCOc1c(F)cc(C[NH2+]C(C)C)cc1F ZINC000094347365 193363578 /nfs/dbraw/zinc/36/35/78/193363578.db2.gz UWNRFLYXHFIEMP-UHFFFAOYSA-N 1 0 300.349 2.368 10 0 DEAERO CC[NH2+]Cc1cc(F)c(OCC(=O)NCC(C)C)c(F)c1 ZINC000094347025 193363704 /nfs/dbraw/zinc/36/37/04/193363704.db2.gz NVFKNBAJAFTGAL-UHFFFAOYSA-N 1 0 300.349 2.225 10 0 DEAERO CN(CC1CC[NH2+]CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000094043215 193340596 /nfs/dbraw/zinc/34/05/96/193340596.db2.gz OVVAIRLISLXOTQ-UHFFFAOYSA-N 1 0 318.389 2.119 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(C)c(Br)cn1 ZINC000094063554 193342440 /nfs/dbraw/zinc/34/24/40/193342440.db2.gz XOLNSWIJPWRNDS-SECBINFHSA-N 1 0 300.200 2.337 10 0 DEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(C)c(Br)cn1 ZINC000094063552 193342542 /nfs/dbraw/zinc/34/25/42/193342542.db2.gz IPLIYCURBKNQKP-SECBINFHSA-N 1 0 300.200 2.479 10 0 DEAERO CC(C)(C[C@@H]([NH3+])c1ccc(F)c(Br)c1)C(N)=O ZINC000094071945 193343451 /nfs/dbraw/zinc/34/34/51/193343451.db2.gz QVBSEAZMIMCMPW-SNVBAGLBSA-N 1 0 303.175 2.490 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1c1nc(-c2ncc(Cl)cc2Cl)no1 ZINC000094199323 193348519 /nfs/dbraw/zinc/34/85/19/193348519.db2.gz LVJLRYQEIPGZKS-IONNQARKSA-N 1 0 315.160 2.140 10 0 DEAERO C[C@@]1(c2nc(-c3ncc(Cl)cc3Cl)no2)COC[C@@H]1[NH3+] ZINC000094199328 193348668 /nfs/dbraw/zinc/34/86/68/193348668.db2.gz HYMMURRUEZVWMM-QPUJVOFHSA-N 1 0 315.160 2.054 10 0 DEAERO CC[C@](C)([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000094237027 193353423 /nfs/dbraw/zinc/35/34/23/193353423.db2.gz YUDNWAZXDIKDAI-HNNXBMFYSA-N 1 0 310.419 2.479 10 0 DEAERO CCC[N@@H+]1CCC[C@](O)([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094639910 193387712 /nfs/dbraw/zinc/38/77/12/193387712.db2.gz FLUJIJGUDLABJR-OWCLPIDISA-N 1 0 317.495 2.217 10 0 DEAERO COc1ccc(C[C@H]([NH3+])[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000094641887 193388851 /nfs/dbraw/zinc/38/88/51/193388851.db2.gz GCVRYBBYPSJXFM-KBMXLJTQSA-N 1 0 311.447 2.168 10 0 DEAERO COc1cccc(C[C@H]([NH3+])[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000094641885 193389211 /nfs/dbraw/zinc/38/92/11/193389211.db2.gz JTKQEOTUUBFNIW-BPUTZDHNSA-N 1 0 311.447 2.168 10 0 DEAERO CCC(CC)CN(CC(=O)OC)C(=O)[C@@H](C[NH3+])CC(C)C ZINC000094698652 193391867 /nfs/dbraw/zinc/39/18/67/193391867.db2.gz JSTQMORXNAAEJK-CQSZACIVSA-N 1 0 300.443 2.045 10 0 DEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc(Cl)nc(Cl)n1 ZINC000094442800 193369422 /nfs/dbraw/zinc/36/94/22/193369422.db2.gz GHRGOEJCKIZXAM-RKDXNWHRSA-N 1 0 302.209 2.241 10 0 DEAERO C[C@@H]1C[C@@](C[NH3+])(N2CCN(c3ccc(F)cc3)CC2)CS1 ZINC000094473240 193372522 /nfs/dbraw/zinc/37/25/22/193372522.db2.gz VOKHDUYUMXWYJM-CJNGLKHVSA-N 1 0 309.454 2.171 10 0 DEAERO C[C@@H]1C[C@@](C[NH3+])(N2CCN(Cc3ccccc3)CC2)CS1 ZINC000094473230 193372650 /nfs/dbraw/zinc/37/26/50/193372650.db2.gz ICTQEYHJDKCYTR-WBVHZDCISA-N 1 0 305.491 2.027 10 0 DEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)[C@H]1CSCCS1 ZINC000094498046 193374725 /nfs/dbraw/zinc/37/47/25/193374725.db2.gz ZTYQCVJKPKTQGD-VXGBXAGGSA-N 1 0 311.538 2.028 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccc(CC)s1)[C@@H]1CN2CCN1CC2 ZINC000094510912 193375612 /nfs/dbraw/zinc/37/56/12/193375612.db2.gz AEZKNSVMOSYGHV-IRXDYDNUSA-N 1 0 307.507 2.221 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000094550258 193378966 /nfs/dbraw/zinc/37/89/66/193378966.db2.gz XGXJSIUBBYSOKI-WCBMZHEXSA-N 1 0 323.245 2.351 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)C[C@H]([NH3+])C1 ZINC000094550452 193379019 /nfs/dbraw/zinc/37/90/19/193379019.db2.gz UWZIIYBSCGGRJD-CABZTGNLSA-N 1 0 302.827 2.006 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Br)cc2F)O1 ZINC000094563221 193379827 /nfs/dbraw/zinc/37/98/27/193379827.db2.gz CBQFTIUNCKRMFF-KWQFWETISA-N 1 0 317.158 2.033 10 0 DEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2Br)O1 ZINC000094564932 193380611 /nfs/dbraw/zinc/38/06/11/193380611.db2.gz RPLOJEFNQHTAFQ-KWQFWETISA-N 1 0 317.158 2.033 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cc(Br)ccc1O ZINC000094573700 193381992 /nfs/dbraw/zinc/38/19/92/193381992.db2.gz GJFNEJDPIJYBLH-SCZZXKLOSA-N 1 0 313.195 2.468 10 0 DEAERO C[C@@H]1CCCN(c2nc3ccc(Br)cn3n2)[C@@H]1C[NH3+] ZINC000094608438 193384503 /nfs/dbraw/zinc/38/45/03/193384503.db2.gz NBEWYOHYRPYANW-MWLCHTKSSA-N 1 0 324.226 2.055 10 0 DEAERO C[C@H]1CCC[C@H](C[NH3+])N1c1nc2ccc(Br)cn2n1 ZINC000094608375 193384534 /nfs/dbraw/zinc/38/45/34/193384534.db2.gz UDJDIOMNEPZKPP-GXSJLCMTSA-N 1 0 324.226 2.198 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@H](OC2(C[NH3+])CCCCCC2)C1 ZINC000094634102 193385156 /nfs/dbraw/zinc/38/51/56/193385156.db2.gz HBZJCPDEYJXUNX-UONOGXRCSA-N 1 0 303.468 2.411 10 0 DEAERO Cc1cc(CNC(=O)c2csc(CC[NH3+])n2)cc(C)c1F ZINC000094894586 193405558 /nfs/dbraw/zinc/40/55/58/193405558.db2.gz MWLLFPJWKBQGBL-UHFFFAOYSA-N 1 0 307.394 2.330 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000095067344 193415308 /nfs/dbraw/zinc/41/53/08/193415308.db2.gz QGCGECDJQDNMNJ-SWLSCSKDSA-N 1 0 317.401 2.310 10 0 DEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000282449636 217003086 /nfs/dbraw/zinc/00/30/86/217003086.db2.gz SJBURQKYJKTCJD-APPZFPTMSA-N 1 0 303.225 2.267 10 0 DEAERO CCN1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1=O ZINC000453333879 245075925 /nfs/dbraw/zinc/07/59/25/245075925.db2.gz WPDHMXLTVURXCH-NXHRZFHOSA-N 1 0 315.461 2.107 10 0 DEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000282457138 217010212 /nfs/dbraw/zinc/01/02/12/217010212.db2.gz STWUUPZVRRSFQH-PELKAZGASA-N 1 0 315.186 2.345 10 0 DEAERO C[C@H](CCO)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000097441454 193720535 /nfs/dbraw/zinc/72/05/35/193720535.db2.gz QSVJRBOEMHBXPQ-GHMZBOCLSA-N 1 0 322.232 2.341 10 0 DEAERO CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2ccc(O)cc2)C1=O ZINC000019766853 182144571 /nfs/dbraw/zinc/14/45/71/182144571.db2.gz HGHQCKHAWGXBCX-IUODEOHRSA-N 1 0 302.374 2.289 10 0 DEAERO COc1cccc(NS(=O)(=O)c2cc(C[NH3+])ccc2C)c1 ZINC000020189567 182195367 /nfs/dbraw/zinc/19/53/67/182195367.db2.gz NNOFZQIXOKNMOQ-UHFFFAOYSA-N 1 0 306.387 2.263 10 0 DEAERO [NH3+]Cc1cc(S(=O)(=O)NC2CCCCCC2)ccc1F ZINC000020189192 182195449 /nfs/dbraw/zinc/19/54/49/182195449.db2.gz VIAIDXKPTIKECF-UHFFFAOYSA-N 1 0 300.399 2.286 10 0 DEAERO CSc1nc(N[C@H]2CCc3ccccc3C2)cc(NN)[nH+]1 ZINC000159980204 197378217 /nfs/dbraw/zinc/37/82/17/197378217.db2.gz LXUDSQACXRGADF-LBPRGKRZSA-N 1 0 301.419 2.454 10 0 DEAERO C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccccc1C[NH3+] ZINC000022154144 182311068 /nfs/dbraw/zinc/31/10/68/182311068.db2.gz PWRLOJQQHXCXRG-LBPRGKRZSA-N 1 0 302.399 2.285 10 0 DEAERO Cc1cccnc1CCCNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000454793253 246160110 /nfs/dbraw/zinc/16/01/10/246160110.db2.gz UPIUJLQYRLSWEN-UHFFFAOYSA-N 1 0 316.449 2.274 10 0 DEAERO Cc1cccc(C[NH+]2CCN(C[C@@H](O)COC(C)(C)C)CC2)c1 ZINC000022922603 182340771 /nfs/dbraw/zinc/34/07/71/182340771.db2.gz IMSJLBKRERQRNJ-GOSISDBHSA-N 1 0 320.477 2.289 10 0 DEAERO Cc1cc(CCNC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)on1 ZINC000454971007 246296305 /nfs/dbraw/zinc/29/63/05/246296305.db2.gz UTPPMJAKDJAQMJ-HNNXBMFYSA-N 1 0 322.453 2.335 10 0 DEAERO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)C1CCOCC1 ZINC000156049549 291614285 /nfs/dbraw/zinc/61/42/85/291614285.db2.gz GKEWOQHUVXPQMF-AWEZNQCLSA-N 1 0 308.422 2.233 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc(F)cc1Br)[S@](C)=O ZINC000159823175 197367014 /nfs/dbraw/zinc/36/70/14/197367014.db2.gz LUSBFEHJYSILPI-ZKANADHPSA-N 1 0 308.216 2.445 10 0 DEAERO COC(=O)CC1(CC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCCC1 ZINC000458215338 248212661 /nfs/dbraw/zinc/21/26/61/248212661.db2.gz MVMPSZDNCYNEFI-HNNXBMFYSA-N 1 0 324.465 2.348 10 0 DEAERO O[C@@H](C[NH2+]CC1CCC(c2ccccc2)CC1)Cn1ccnn1 ZINC000459696612 248663026 /nfs/dbraw/zinc/66/30/26/248663026.db2.gz BLGMCUBOQQVYGC-VJFUWPCTSA-N 1 0 314.433 2.203 10 0 DEAERO Cc1ccc(-c2cccc(C[NH2+]C[C@H](O)Cn3ccnn3)c2)cc1 ZINC000459700566 248663214 /nfs/dbraw/zinc/66/32/14/248663214.db2.gz PUTIZCQVRWNBDU-IBGZPJMESA-N 1 0 322.412 2.404 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000037889737 182934502 /nfs/dbraw/zinc/93/45/02/182934502.db2.gz MUQDKZNIHSJXNL-VBNZEHGJSA-N 1 0 313.825 2.375 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000040634298 183111825 /nfs/dbraw/zinc/11/18/25/183111825.db2.gz DKNVUZNPSABYCJ-OLZOCXBDSA-N 1 0 303.387 2.126 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cc(Cl)cc3cccnc32)C1 ZINC000040632682 183112064 /nfs/dbraw/zinc/11/20/64/183112064.db2.gz WLPWKEAWFCZMEH-WCQYABFASA-N 1 0 305.765 2.204 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000040635974 183112722 /nfs/dbraw/zinc/11/27/22/183112722.db2.gz AVVYMRPXTMXIEE-RBSFLKMASA-N 1 0 308.809 2.380 10 0 DEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000040630128 183110691 /nfs/dbraw/zinc/11/06/91/183110691.db2.gz RFYJZWZTFPZQRK-PWSUYJOCSA-N 1 0 313.195 2.073 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000040858861 183143097 /nfs/dbraw/zinc/14/30/97/183143097.db2.gz DUSJSOHXMZELNL-UFBFGSQYSA-N 1 0 310.419 2.335 10 0 DEAERO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)c(Cl)c1 ZINC000040746346 183128209 /nfs/dbraw/zinc/12/82/09/183128209.db2.gz FQVYAHARAFKXLZ-ULKQDVFKSA-N 1 0 318.801 2.040 10 0 DEAERO CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1cc(N)cs1 ZINC000041067812 183161479 /nfs/dbraw/zinc/16/14/79/183161479.db2.gz ALHRGEYJAPXKEP-NSHDSACASA-N 1 0 319.496 2.119 10 0 DEAERO CN1CCC([N@H+](C)CCCCCNC(=O)c2ccccn2)CC1 ZINC000041567392 183203688 /nfs/dbraw/zinc/20/36/88/183203688.db2.gz LXHNIJAUAPHLCK-UHFFFAOYSA-N 1 0 318.465 2.008 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccccc1Cl ZINC000041604105 183209552 /nfs/dbraw/zinc/20/95/52/183209552.db2.gz NDZHZYNJAJULGN-LLVKDONJSA-N 1 0 311.813 2.125 10 0 DEAERO CC(C)NS(=O)(=O)c1ccc(NCCCC[NH+](C)C)cc1 ZINC000041675548 183215425 /nfs/dbraw/zinc/21/54/25/183215425.db2.gz FSYPWYNIACUBKM-UHFFFAOYSA-N 1 0 313.467 2.127 10 0 DEAERO CCC1CCC([NH3+])(c2nc3c(s2)CS(=O)(=O)CC3)CC1 ZINC000042332504 183255161 /nfs/dbraw/zinc/25/51/61/183255161.db2.gz BTNYSOJWSUHSSL-UHFFFAOYSA-N 1 0 314.476 2.368 10 0 DEAERO C[NH2+]C1(c2nc(C(C)(C)C)cs2)CCS(=O)(=O)CC1 ZINC000042333210 183254837 /nfs/dbraw/zinc/25/48/37/183254837.db2.gz QFRXIOHFNUMDKF-UHFFFAOYSA-N 1 0 302.465 2.064 10 0 DEAERO CN(Cc1ccccc1Br)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042440957 183270366 /nfs/dbraw/zinc/27/03/66/183270366.db2.gz YXNSLZDGBLPCBI-TZMCWYRMSA-N 1 0 313.239 2.245 10 0 DEAERO C[C@H](C[NH3+])CN(C)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000042455696 183271868 /nfs/dbraw/zinc/27/18/68/183271868.db2.gz FDWDKNDQWSYVSW-SECBINFHSA-N 1 0 310.341 2.011 10 0 DEAERO CC(C)[N@H+](CCO)CCCC(=O)Nc1ccc(N)cc1Cl ZINC000042478151 183275604 /nfs/dbraw/zinc/27/56/04/183275604.db2.gz NQGXWOTXNISZMS-UHFFFAOYSA-N 1 0 313.829 2.344 10 0 DEAERO C[NH2+]Cc1c(N(CCOC)[C@@H](C)C2CC2)nc2sccn12 ZINC000042681019 183296102 /nfs/dbraw/zinc/29/61/02/183296102.db2.gz CHTOREOBQLGEBJ-NSHDSACASA-N 1 0 308.451 2.367 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CC(=O)N1CCCC1 ZINC000042946068 183319555 /nfs/dbraw/zinc/31/95/55/183319555.db2.gz OTAFUFTYPPSWEX-BLLLJJGKSA-N 1 0 309.841 2.283 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CC(=O)NC1CC1 ZINC000043014408 183327987 /nfs/dbraw/zinc/32/79/87/183327987.db2.gz SYLSHAJZKYEIAD-GDBMZVCRSA-N 1 0 309.841 2.329 10 0 DEAERO [NH3+]C[C@@H](c1cccc(Br)c1)N1CCC(CO)CC1 ZINC000043020263 183328831 /nfs/dbraw/zinc/32/88/31/183328831.db2.gz LYUNMTGYWLEUJH-AWEZNQCLSA-N 1 0 313.239 2.153 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCC[C@@H]1CO ZINC000043021118 183329699 /nfs/dbraw/zinc/32/96/99/183329699.db2.gz ATTICBLHDGMGOI-GDLCADMTSA-N 1 0 313.239 2.294 10 0 DEAERO CS(=O)(=O)c1cccc(O[C@H](C[NH3+])c2ccccc2F)c1 ZINC000043048670 183331904 /nfs/dbraw/zinc/33/19/04/183331904.db2.gz BUHKDYCRZGPWRY-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N(CCOC)CCOC ZINC000043240876 183345886 /nfs/dbraw/zinc/34/58/86/183345886.db2.gz GFXBZLYMIVUFCV-DZGCQCFKSA-N 1 0 300.468 2.430 10 0 DEAERO CCCN(CC(=O)NC)[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043253698 183348386 /nfs/dbraw/zinc/34/83/86/183348386.db2.gz BAEMEFXRILWVNB-NOZJJQNGSA-N 1 0 303.859 2.248 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCOCC1 ZINC000043284353 183350491 /nfs/dbraw/zinc/35/04/91/183350491.db2.gz IVFYRNSAYKRKLU-GZMMTYOYSA-N 1 0 305.241 2.231 10 0 DEAERO COC(=O)CS[C@H](C[NH3+])c1cc(Br)cs1 ZINC000043291000 183351492 /nfs/dbraw/zinc/35/14/92/183351492.db2.gz KNIYCUARWBZPEB-MRVPVSSYSA-N 1 0 310.238 2.417 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1nnnn1C1CCCC1)c1ccccn1 ZINC000043344517 183356531 /nfs/dbraw/zinc/35/65/31/183356531.db2.gz NVOSCJQVGOZTND-GXFFZTMASA-N 1 0 304.423 2.364 10 0 DEAERO Cc1ccc([C@@H](Oc2cccc(S(C)(=O)=O)c2)[C@@H](C)[NH3+])o1 ZINC000043366996 183357204 /nfs/dbraw/zinc/35/72/04/183357204.db2.gz LTOFSEPSVKDLHS-ABAIWWIYSA-N 1 0 309.387 2.459 10 0 DEAERO Ic1ccccc1OC[C@@H]1CCC[NH2+]1 ZINC000043496989 183367232 /nfs/dbraw/zinc/36/72/32/183367232.db2.gz DCPBBQZVIXZEIV-VIFPVBQESA-N 1 0 303.143 2.422 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000532290875 284674094 /nfs/dbraw/zinc/67/40/94/284674094.db2.gz COCGOSAICANUMG-QGZVFWFLSA-N 1 0 311.470 2.319 10 0 DEAERO CN(C)C(C)(C)C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000043411239 183360098 /nfs/dbraw/zinc/36/00/98/183360098.db2.gz JVBMGFIEQUZKNG-LBPRGKRZSA-N 1 0 300.830 2.010 10 0 DEAERO COc1ccc([C@H]2CN(C(C)C)C(=O)[C@@]23CCC[NH2+]C3)cc1 ZINC000044137343 183396653 /nfs/dbraw/zinc/39/66/53/183396653.db2.gz AGEPXFCPNYYNHB-SJLPKXTDSA-N 1 0 302.418 2.399 10 0 DEAERO NS(=O)(=O)CCC[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000045069593 183479494 /nfs/dbraw/zinc/47/94/94/183479494.db2.gz GDFGJWKYDAAPBX-CABCVRRESA-N 1 0 302.484 2.394 10 0 DEAERO C[NH+](C)C(C)(C)CNC(=O)c1cc(N)ccc1Br ZINC000045624884 183519485 /nfs/dbraw/zinc/51/94/85/183519485.db2.gz UPYWUQDXDJZMBJ-UHFFFAOYSA-N 1 0 314.227 2.101 10 0 DEAERO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)NCC(F)(F)F ZINC000104962882 194059068 /nfs/dbraw/zinc/05/90/68/194059068.db2.gz UXOGORLJADCGOT-LLVKDONJSA-N 1 0 318.339 2.237 10 0 DEAERO CCCc1cc(N2CC[C@](O)(c3cn[nH]n3)C2)c2ccccc2[nH+]1 ZINC000284658702 218119932 /nfs/dbraw/zinc/11/99/32/218119932.db2.gz VVTYEEYSUDXQEA-GOSISDBHSA-N 1 0 323.400 2.403 10 0 DEAERO O=C(Nc1cnc(C2CC2)nc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105037644 194066862 /nfs/dbraw/zinc/06/68/62/194066862.db2.gz PXOXODLUXGIDHA-CQSZACIVSA-N 1 0 301.394 2.056 10 0 DEAERO COCCN(CC[NH+](C)C)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000105032677 194065931 /nfs/dbraw/zinc/06/59/31/194065931.db2.gz PIVRLKOFVWDAKC-AWEZNQCLSA-N 1 0 323.437 2.436 10 0 DEAERO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805366 194134315 /nfs/dbraw/zinc/13/43/15/194134315.db2.gz ZCZQSUADSDHEDA-ZDUSSCGKSA-N 1 0 319.453 2.046 10 0 DEAERO COCCN1CC[N@H+](CCCOCCc2ccccc2)C[C@H]1C ZINC000105833842 194143046 /nfs/dbraw/zinc/14/30/46/194143046.db2.gz PRFRFTGTBOTERG-GOSISDBHSA-N 1 0 320.477 2.288 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+]CCn2cc(C)cn2)c1 ZINC000105881256 194155527 /nfs/dbraw/zinc/15/55/27/194155527.db2.gz VQNQYLVNUUVWKS-ZDUSSCGKSA-N 1 0 314.389 2.011 10 0 DEAERO CC(C)=CC[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894337 194159922 /nfs/dbraw/zinc/15/99/22/194159922.db2.gz NTMVBLSCGMBWCR-KRWDZBQOSA-N 1 0 304.434 2.010 10 0 DEAERO COCCCCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105911668 194167650 /nfs/dbraw/zinc/16/76/50/194167650.db2.gz RQPXFZBQBNIINB-GOSISDBHSA-N 1 0 306.450 2.154 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(OC(F)F)cc1 ZINC000105932390 194172559 /nfs/dbraw/zinc/17/25/59/194172559.db2.gz RCCTTWJFWLFVMT-BXUZGUMPSA-N 1 0 300.349 2.269 10 0 DEAERO Cc1noc(C)c1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106433968 194213577 /nfs/dbraw/zinc/21/35/77/194213577.db2.gz YMEIAFSRQQYGKW-INIZCTEOSA-N 1 0 301.390 2.081 10 0 DEAERO C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)ccc1Cl)C(=O)N(C)C ZINC000049098481 183712664 /nfs/dbraw/zinc/71/26/64/183712664.db2.gz SZTIOONWHDVALG-PELKAZGASA-N 1 0 305.205 2.093 10 0 DEAERO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@H](O)COCc1cccs1 ZINC000049555571 183741182 /nfs/dbraw/zinc/74/11/82/183741182.db2.gz SHVLRFIMVZTZLM-GJZGRUSLSA-N 1 0 314.495 2.192 10 0 DEAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)S(=O)(=O)c2ccccc2F)C1 ZINC000050092868 183772416 /nfs/dbraw/zinc/77/24/16/183772416.db2.gz NZWWXZGXCNJAPY-SWLSCSKDSA-N 1 0 314.426 2.354 10 0 DEAERO C[C@H](Nc1ccccc1S(=O)(=O)C(F)F)[C@@H]1CCC[NH2+]C1 ZINC000050163861 183776285 /nfs/dbraw/zinc/77/62/85/183776285.db2.gz LFYJTTUUIQRHCO-WDEREUQCSA-N 1 0 318.389 2.483 10 0 DEAERO COC(=O)CCSc1cc(NN)[nH+]c(-c2ccccc2)n1 ZINC000159358225 197347883 /nfs/dbraw/zinc/34/78/83/197347883.db2.gz IURDFMBQJMSKMM-UHFFFAOYSA-N 1 0 304.375 2.084 10 0 DEAERO C[C@H](C[NH3+])N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000109454027 194264543 /nfs/dbraw/zinc/26/45/43/194264543.db2.gz BLQTYVYMTVBIPY-GFCCVEGCSA-N 1 0 304.825 2.357 10 0 DEAERO Cc1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000109540456 194272275 /nfs/dbraw/zinc/27/22/75/194272275.db2.gz SQYQHAJBACCAIF-UHFFFAOYSA-N 1 0 308.378 2.071 10 0 DEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(-n3cc(Br)cn3)ccc21 ZINC000109572959 194275048 /nfs/dbraw/zinc/27/50/48/194275048.db2.gz QWWLEJCKVYLNHI-LBPRGKRZSA-N 1 0 321.178 2.238 10 0 DEAERO C[C@H](c1noc(-c2ccc(F)cc2Cl)n1)N1CC[NH2+]CC1 ZINC000109473844 194268072 /nfs/dbraw/zinc/26/80/72/194268072.db2.gz YZAYDFABNSPMEI-SECBINFHSA-N 1 0 310.760 2.495 10 0 DEAERO O=S(=O)(c1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1)C(F)F ZINC000051918538 183841854 /nfs/dbraw/zinc/84/18/54/183841854.db2.gz JLDLQDULXUELIX-NSHDSACASA-N 1 0 319.373 2.451 10 0 DEAERO C[NH2+]C[C@H]1CC[C@H](Cn2nc(C)c(Br)c2C)O1 ZINC000052573694 183865396 /nfs/dbraw/zinc/86/53/96/183865396.db2.gz ZPDLTTNVERTGPS-GHMZBOCLSA-N 1 0 302.216 2.029 10 0 DEAERO CCC(CC)(C(N)=S)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110272745 194319454 /nfs/dbraw/zinc/31/94/54/194319454.db2.gz LUOILTRNHPZNJB-CYBMUJFWSA-N 1 0 311.495 2.166 10 0 DEAERO CC(C)CCCOC[C@@H](O)C[NH2+][C@@]1(CO)CCC[C@@H](C)C1 ZINC000053125813 183889149 /nfs/dbraw/zinc/88/91/49/183889149.db2.gz GIHIKEOAXWKYBY-IKGGRYGDSA-N 1 0 301.471 2.331 10 0 DEAERO CC[NH2+]Cc1cc(Br)cnc1O[C@H]1CCOC1 ZINC000110532504 194337417 /nfs/dbraw/zinc/33/74/17/194337417.db2.gz JTQGVMWYJFPEHM-NSHDSACASA-N 1 0 301.184 2.121 10 0 DEAERO COc1ccc(C[C@]2(O)CCC[NH2+]C2)cc1Br ZINC000110551278 194338575 /nfs/dbraw/zinc/33/85/75/194338575.db2.gz SIIIVKYPEPMRFE-CYBMUJFWSA-N 1 0 300.196 2.115 10 0 DEAERO CC(C)Cc1ccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]C2)cc1 ZINC000110927748 194369884 /nfs/dbraw/zinc/36/98/84/194369884.db2.gz FUKZDTIEEACAMD-HNNXBMFYSA-N 1 0 310.463 2.258 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000110928071 194370571 /nfs/dbraw/zinc/37/05/71/194370571.db2.gz HRYVVAHCYXZCCD-LBPRGKRZSA-N 1 0 302.827 2.021 10 0 DEAERO C[C@@H](NC(=O)CN(C)[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000110930607 194371437 /nfs/dbraw/zinc/37/14/37/194371437.db2.gz LJOVFLKHMYNSCR-CHWSQXEVSA-N 1 0 309.841 2.201 10 0 DEAERO CN(c1ccccc1S(=O)(=O)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000110932519 194371490 /nfs/dbraw/zinc/37/14/90/194371490.db2.gz VATCGHMOCYKZQP-JTQLQIEISA-N 1 0 322.352 2.168 10 0 DEAERO COCC[NH2+]C[C@@H](CCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000054639567 183947015 /nfs/dbraw/zinc/94/70/15/183947015.db2.gz QQJSWKLIUYLPDK-ZIAGYGMSSA-N 1 0 305.484 2.100 10 0 DEAERO CCC[NH2+][C@H](c1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000111037650 194386184 /nfs/dbraw/zinc/38/61/84/194386184.db2.gz GDJSXROCKVKNDR-HZMBPMFUSA-N 1 0 303.374 2.440 10 0 DEAERO CCCc1nc(N2CCS(=O)CC2)sc1C[NH2+]C(C)C ZINC000054999509 183956782 /nfs/dbraw/zinc/95/67/82/183956782.db2.gz SSZUUDAQAMVARQ-UHFFFAOYSA-N 1 0 315.508 2.162 10 0 DEAERO CCOCC[N@H+](CC)CC[C@](C)(NC(C)C)C(=O)OCC ZINC000111122173 194392725 /nfs/dbraw/zinc/39/27/25/194392725.db2.gz POJKAHUTLNMQIN-INIZCTEOSA-N 1 0 302.459 2.055 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000058862955 184130286 /nfs/dbraw/zinc/13/02/86/184130286.db2.gz FPBXCZUNLLLOCX-UHFFFAOYSA-N 1 0 312.417 2.347 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(OC)ccc1OC(F)F ZINC000061232119 184166642 /nfs/dbraw/zinc/16/66/42/184166642.db2.gz OHPZRJYORIMMRE-SECBINFHSA-N 1 0 302.321 2.481 10 0 DEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000061267316 184167172 /nfs/dbraw/zinc/16/71/72/184167172.db2.gz XKWYUXASZVKKHX-SNVBAGLBSA-N 1 0 304.312 2.447 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000061270753 184167252 /nfs/dbraw/zinc/16/72/52/184167252.db2.gz HIBXGWIMXOFOGM-JTQLQIEISA-N 1 0 311.813 2.368 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000061298708 184167757 /nfs/dbraw/zinc/16/77/57/184167757.db2.gz LTOSSHBLAWTTTM-UHFFFAOYSA-N 1 0 300.349 2.335 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000061873258 184191014 /nfs/dbraw/zinc/19/10/14/184191014.db2.gz JQJFHIYXKUAQQF-UHFFFAOYSA-N 1 0 312.211 2.010 10 0 DEAERO CCCn1c(S[C@@H](c2ccccc2C)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594845 184176517 /nfs/dbraw/zinc/17/65/17/184176517.db2.gz QFBFDALLPCRQOB-DGCLKSJQSA-N 1 0 306.435 2.470 10 0 DEAERO CCCn1c(S[C@@H](c2ccc(F)cc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594943 184176643 /nfs/dbraw/zinc/17/66/43/184176643.db2.gz XGSHLGAKDSNSME-BXKDBHETSA-N 1 0 310.398 2.301 10 0 DEAERO O=C(c1c(Cl)nc2ccccn21)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604317 184177077 /nfs/dbraw/zinc/17/70/77/184177077.db2.gz GIIZRIRJGFZXOF-UHFFFAOYSA-N 1 0 318.808 2.298 10 0 DEAERO CCNc1ccc(Cl)c(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)n1 ZINC000061638297 184179894 /nfs/dbraw/zinc/17/98/94/184179894.db2.gz XEPFMIRTGXGTOK-WDEREUQCSA-N 1 0 310.829 2.253 10 0 DEAERO NNc1ccc(Cl)c(CSc2nnc3ccccn32)[nH+]1 ZINC000061640313 184180453 /nfs/dbraw/zinc/18/04/53/184180453.db2.gz MHOQPAJDKJOCLO-UHFFFAOYSA-N 1 0 306.782 2.356 10 0 DEAERO CC(C)[C@H](CNC(=O)c1ccc(Br)cn1)[NH+](C)C ZINC000061874351 184191593 /nfs/dbraw/zinc/19/15/93/184191593.db2.gz RKSZCFIGPIJVCA-LBPRGKRZSA-N 1 0 314.227 2.160 10 0 DEAERO COc1ccc([C@H]([NH3+])C[C@H](C)CC(N)=O)c(Br)c1 ZINC000061830573 184188956 /nfs/dbraw/zinc/18/89/56/184188956.db2.gz WIRPJVFZZCHNRY-QPUJVOFHSA-N 1 0 315.211 2.359 10 0 DEAERO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH3+])cc1F ZINC000061841305 184189346 /nfs/dbraw/zinc/18/93/46/184189346.db2.gz NIMRVOQZNVXNBS-UHFFFAOYSA-N 1 0 308.378 2.071 10 0 DEAERO [NH3+]C[C@@H](c1ccc(F)c(Br)c1)N1CCCOCC1 ZINC000061916547 184195323 /nfs/dbraw/zinc/19/53/23/184195323.db2.gz XZGWKGBGXAJZOS-ZDUSSCGKSA-N 1 0 317.202 2.310 10 0 DEAERO C[NH2+][C@@H](CN1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000061941081 184197222 /nfs/dbraw/zinc/19/72/22/184197222.db2.gz SEGBWDXIXMPBBH-AWEZNQCLSA-N 1 0 301.356 2.127 10 0 DEAERO COCCC[NH+]1[C@H](C)CN(C(=O)c2cccc(F)c2)C[C@H]1C ZINC000062180855 184213374 /nfs/dbraw/zinc/21/33/74/184213374.db2.gz VKNIHCOECRXGBD-ZIAGYGMSSA-N 1 0 308.397 2.397 10 0 DEAERO CC[C@H](O)COc1c(Cl)cc(C[NH2+]CCOC)cc1OC ZINC000062727882 184250472 /nfs/dbraw/zinc/25/04/72/184250472.db2.gz QDXPKPQDTMRFRA-LBPRGKRZSA-N 1 0 317.813 2.234 10 0 DEAERO CC(C)(C)[NH2+]Cc1cccc(Br)c1OCC(N)=O ZINC000062733482 184251021 /nfs/dbraw/zinc/25/10/21/184251021.db2.gz HHMKZNQLALZQNR-UHFFFAOYSA-N 1 0 315.211 2.201 10 0 DEAERO CC(C)(C)[NH2+]Cc1c(N(CCO)C2CC2)nc2sccn12 ZINC000062737626 184252223 /nfs/dbraw/zinc/25/22/23/184252223.db2.gz XXZQLHXONJXMKZ-UHFFFAOYSA-N 1 0 308.451 2.245 10 0 DEAERO CCCn1c(Sc2ccc(C(N)=[NH2+])cc2Cl)n[nH]c1=O ZINC000062794917 184253197 /nfs/dbraw/zinc/25/31/97/184253197.db2.gz OPJCQFWGCWQCRD-UHFFFAOYSA-N 1 0 311.798 2.070 10 0 DEAERO [NH3+][C@@H](CNC(=O)c1cncc(Br)c1)c1ccccc1 ZINC000062837964 184255558 /nfs/dbraw/zinc/25/55/58/184255558.db2.gz FLXAVEFJDMUDRA-ZDUSSCGKSA-N 1 0 320.190 2.274 10 0 DEAERO CC[C@]1(C(=O)NCc2ccccc2Br)CC[NH2+]C1 ZINC000062901160 184258855 /nfs/dbraw/zinc/25/88/55/184258855.db2.gz MYNJERGIGLNMIZ-AWEZNQCLSA-N 1 0 311.223 2.455 10 0 DEAERO [NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000063213700 184278772 /nfs/dbraw/zinc/27/87/72/184278772.db2.gz HYTOZQLHGOGVDC-OLZOCXBDSA-N 1 0 320.817 2.417 10 0 DEAERO CCNS(=O)(=O)c1ccc(N[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000063214798 184278939 /nfs/dbraw/zinc/27/89/39/184278939.db2.gz WWFQUYLILMRORI-GJZGRUSLSA-N 1 0 311.451 2.057 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(c2ncc(Br)cc2N)C1 ZINC000062975801 184264082 /nfs/dbraw/zinc/26/40/82/184264082.db2.gz DGJDYDPGISPIHJ-LLVKDONJSA-N 1 0 313.243 2.347 10 0 DEAERO CS(=O)(=O)CCC[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000063016815 184267167 /nfs/dbraw/zinc/26/71/67/184267167.db2.gz XXMZVBAHXWBPOV-GFCCVEGCSA-N 1 0 320.252 2.144 10 0 DEAERO CC[NH2+]C[C@H](CCCS(C)(=O)=O)Cc1ccc(F)cc1 ZINC000063018217 184267577 /nfs/dbraw/zinc/26/75/77/184267577.db2.gz UACWCNXQTPFSOD-CQSZACIVSA-N 1 0 301.427 2.419 10 0 DEAERO CN(CC[NH+]1CCCC1)C(=O)C1(C(N)=S)CCCCCC1 ZINC000063053385 184268458 /nfs/dbraw/zinc/26/84/58/184268458.db2.gz QOQCRDTVKRXRTO-UHFFFAOYSA-N 1 0 311.495 2.167 10 0 DEAERO Cc1ccccc1SCc1nc2c(cnn2C)c(NN)[nH+]1 ZINC000063084356 184269583 /nfs/dbraw/zinc/26/95/83/184269583.db2.gz RJNCKQZKAPIPPE-UHFFFAOYSA-N 1 0 300.391 2.250 10 0 DEAERO CC1CCC(CNS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000063147078 184273804 /nfs/dbraw/zinc/27/38/04/184273804.db2.gz SWTURTNMMUJOCS-NRXISQOPSA-N 1 0 302.484 2.264 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH2+]C)s1 ZINC000063168329 184275600 /nfs/dbraw/zinc/27/56/00/184275600.db2.gz HTPAGAVTZPMALC-NSHDSACASA-N 1 0 302.465 2.073 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 ZINC000063168043 184275627 /nfs/dbraw/zinc/27/56/27/184275627.db2.gz ZQDBYXAFMBHWTQ-LBPRGKRZSA-N 1 0 302.827 2.103 10 0 DEAERO CCN(C(C)=O)c1nc(CN2CCCC[C@@H]2C[NH2+]C)cs1 ZINC000063168350 184275670 /nfs/dbraw/zinc/27/56/70/184275670.db2.gz HLMCPNWKHDXPOZ-CQSZACIVSA-N 1 0 310.467 2.090 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc(Br)c1 ZINC000063172453 184276094 /nfs/dbraw/zinc/27/60/94/184276094.db2.gz IRTCALOALQERSV-GHMZBOCLSA-N 1 0 301.159 2.198 10 0 DEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1Br ZINC000063174173 184276104 /nfs/dbraw/zinc/27/61/04/184276104.db2.gz SEOLCUFNXVZXGK-QWRGUYRKSA-N 1 0 301.159 2.198 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1Nc1ccccc1S(=O)(=O)C(F)(F)F ZINC000063177676 184276592 /nfs/dbraw/zinc/27/65/92/184276592.db2.gz NYZUSTPIJKRDNP-RKDXNWHRSA-N 1 0 308.325 2.272 10 0 DEAERO COc1ccc(S(=O)(=O)Nc2cccc(C[NH3+])c2)cc1F ZINC000063191077 184277223 /nfs/dbraw/zinc/27/72/23/184277223.db2.gz LVYWFSWOZPYENE-UHFFFAOYSA-N 1 0 310.350 2.094 10 0 DEAERO Cc1c(C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)cnn1C ZINC000065288640 184323204 /nfs/dbraw/zinc/32/32/04/184323204.db2.gz BTWXDKCMVSJHND-QGZVFWFLSA-N 1 0 300.406 2.069 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC2(CCCC2)C1 ZINC000173175420 207360569 /nfs/dbraw/zinc/36/05/69/207360569.db2.gz CZYNNBWVYGYILQ-OAHLLOKOSA-N 1 0 309.454 2.073 10 0 DEAERO C[NH2+][C@@H](C)C[C@H](C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000068646015 184496142 /nfs/dbraw/zinc/49/61/42/184496142.db2.gz JAAPRINZLQXNLD-RYUDHWBXSA-N 1 0 313.419 2.008 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCC(=O)Nc1ccccc1 ZINC000113591027 194604664 /nfs/dbraw/zinc/60/46/64/194604664.db2.gz UKHDZFVWBGKIOZ-CQSZACIVSA-N 1 0 320.437 2.045 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000537214243 284987254 /nfs/dbraw/zinc/98/72/54/284987254.db2.gz SKXUKQFWIJPDKC-UHFFFAOYSA-N 1 0 319.327 2.046 10 0 DEAERO Cc1cccnc1[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000115840203 194704705 /nfs/dbraw/zinc/70/47/05/194704705.db2.gz FGKIXAUOYXTWMB-CABCVRRESA-N 1 0 304.438 2.433 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000538317267 285031968 /nfs/dbraw/zinc/03/19/68/285031968.db2.gz QQPHUFFYBJQYCJ-UHFFFAOYSA-N 1 0 305.422 2.080 10 0 DEAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)cc1 ZINC000119672764 195015061 /nfs/dbraw/zinc/01/50/61/195015061.db2.gz RACQJEMCEBMHAU-VXGBXAGGSA-N 1 0 303.406 2.276 10 0 DEAERO COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@H]3CCC[NH2+]C3)C2)c1 ZINC000119792761 195037372 /nfs/dbraw/zinc/03/73/72/195037372.db2.gz CZMGRAQSGUTQPD-UONOGXRCSA-N 1 0 318.417 2.019 10 0 DEAERO COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]([NH3+])C(C)C)C2)c1 ZINC000119794754 195037830 /nfs/dbraw/zinc/03/78/30/195037830.db2.gz ICVGWTUCJIPVGW-WBMJQRKESA-N 1 0 306.406 2.003 10 0 DEAERO COCOc1ccc(OC)cc1C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000120009768 195079343 /nfs/dbraw/zinc/07/93/43/195079343.db2.gz NZNQCEZKNRSUMP-CZUORRHYSA-N 1 0 309.406 2.319 10 0 DEAERO [NH3+][C@@H](CS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCOC1 ZINC000159121270 197329813 /nfs/dbraw/zinc/32/98/13/197329813.db2.gz WRGAHRXXGAWHOL-UFBFGSQYSA-N 1 0 324.229 2.131 10 0 DEAERO COCCOCCCC[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000159122460 197329346 /nfs/dbraw/zinc/32/93/46/197329346.db2.gz QAEIMUFKLZIXQU-HNNXBMFYSA-N 1 0 317.495 2.464 10 0 DEAERO CCC(C)(C)N(C)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159118980 197328759 /nfs/dbraw/zinc/32/87/59/197328759.db2.gz YLIMDIFEWFCZPG-UHFFFAOYSA-N 1 0 302.415 2.402 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC(C)CC2)cc(C[NH3+])c1F ZINC000159047236 197321390 /nfs/dbraw/zinc/32/13/90/197321390.db2.gz RCQPAZTYBWADHH-UHFFFAOYSA-N 1 0 300.399 2.013 10 0 DEAERO CCNS(=O)(=O)c1cc(C)c(F)c(C[NH2+]C(C)(C)C)c1 ZINC000159087496 197325526 /nfs/dbraw/zinc/32/55/26/197325526.db2.gz RKRKQNDLNXROGK-UHFFFAOYSA-N 1 0 302.415 2.320 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)C2CCCC2)cc(C[NH3+])c1F ZINC000159062752 197323438 /nfs/dbraw/zinc/32/34/38/197323438.db2.gz MBRYBFLIBCLAQQ-UHFFFAOYSA-N 1 0 300.399 2.156 10 0 DEAERO O=C(Nc1nc(Cc2ccccc2)ns1)C1CC[NH2+]CC1 ZINC000158931598 197312440 /nfs/dbraw/zinc/31/24/40/197312440.db2.gz ISYBABKXNZHGHY-UHFFFAOYSA-N 1 0 302.403 2.067 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)c1cnc(-c2cccnc2)s1 ZINC000540518165 285119901 /nfs/dbraw/zinc/11/99/01/285119901.db2.gz USPJPOICJONTHW-UHFFFAOYSA-N 1 0 304.419 2.229 10 0 DEAERO CC[C@@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc(F)cc1C ZINC000159013549 197319060 /nfs/dbraw/zinc/31/90/60/197319060.db2.gz WJGLSSGGIULPBC-TZMCWYRMSA-N 1 0 314.426 2.191 10 0 DEAERO CCC[NH+](CCC)CCCNC(=O)N1CCC([C@H](C)O)CC1 ZINC000158870536 197307310 /nfs/dbraw/zinc/30/73/10/197307310.db2.gz UNKPQCNGNTWKNO-HNNXBMFYSA-N 1 0 313.486 2.301 10 0 DEAERO CCO[C@@H](C[NH3+])CC[S@@](=O)c1ccccc1Br ZINC000158841061 197305709 /nfs/dbraw/zinc/30/57/09/197305709.db2.gz XQPRDSQQGYQPHW-QGHHPUGFSA-N 1 0 320.252 2.311 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cs1 ZINC000158756044 197299482 /nfs/dbraw/zinc/29/94/82/197299482.db2.gz MUULRSJBCGZXQN-VXGBXAGGSA-N 1 0 314.476 2.278 10 0 DEAERO C[C@H](CCn1cccn1)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000158721497 197296939 /nfs/dbraw/zinc/29/69/39/197296939.db2.gz BESAJWWMCZPXBN-KGLIPLIRSA-N 1 0 321.446 2.416 10 0 DEAERO CC[NH2+][C@@H](CS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000158714809 197296515 /nfs/dbraw/zinc/29/65/15/197296515.db2.gz JXRAFVZOCSBSEL-FZMZJTMJSA-N 1 0 317.838 2.128 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)c1ccc(C(C)C)cc1)[C@H]1CCOC1 ZINC000158714394 197296334 /nfs/dbraw/zinc/29/63/34/197296334.db2.gz DZPAAJDTTDVNRZ-GOEBONIOSA-N 1 0 311.447 2.208 10 0 DEAERO C[NH2+][C@H]1C[C@@H](c2ccc(S(=O)(=O)C(F)F)c(OC)c2)[C@@H]1C ZINC000158633215 197289451 /nfs/dbraw/zinc/28/94/51/197289451.db2.gz IRHKNURGABQEBB-GDPRMGEGSA-N 1 0 319.373 2.403 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000540891376 285134258 /nfs/dbraw/zinc/13/42/58/285134258.db2.gz PPNFYUBGNLMHIY-OAHLLOKOSA-N 1 0 313.405 2.139 10 0 DEAERO Nc1cc(N)[nH+]c(SCc2ccc(Br)cn2)n1 ZINC000158618251 197289211 /nfs/dbraw/zinc/28/92/11/197289211.db2.gz DVGLWZUCMKWYGZ-UHFFFAOYSA-N 1 0 312.196 2.091 10 0 DEAERO C[C@H]1C[C@@H](Nc2nc(Br)cn3ccnc23)CC[N@@H+]1C ZINC000158595750 197286387 /nfs/dbraw/zinc/28/63/87/197286387.db2.gz PQDWDXQEOCGNBS-UWVGGRQHSA-N 1 0 324.226 2.386 10 0 DEAERO Cc1cccc(NC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158494399 197278335 /nfs/dbraw/zinc/27/83/35/197278335.db2.gz LUMXEHYMHHMIAJ-WBVHZDCISA-N 1 0 301.434 2.350 10 0 DEAERO C[C@@H]1C[C@H](Nc2nc3c(Br)cccn3n2)CC[N@@H+]1C ZINC000158438890 197271914 /nfs/dbraw/zinc/27/19/14/197271914.db2.gz BZIBQFXSHZBHIF-NXEZZACHSA-N 1 0 324.226 2.386 10 0 DEAERO COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)cc1NC(C)=O ZINC000158247903 197257159 /nfs/dbraw/zinc/25/71/59/197257159.db2.gz SBOOZNREZDOGCG-BZNIZROVSA-N 1 0 324.446 2.172 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000158222752 197254256 /nfs/dbraw/zinc/25/42/56/197254256.db2.gz SEUWYIGGDOBLAS-GJZGRUSLSA-N 1 0 308.447 2.217 10 0 DEAERO CC(C)[C@H]([NH2+]Cc1ccc(Br)c(F)c1)C(N)=O ZINC000158124556 197245295 /nfs/dbraw/zinc/24/52/95/197245295.db2.gz MHDBZDBKQQJRQB-NSHDSACASA-N 1 0 303.175 2.188 10 0 DEAERO CCCc1cc(C(=O)N2CCS[C@H](CC)C2)cc(NN)[nH+]1 ZINC000158095122 197242955 /nfs/dbraw/zinc/24/29/55/197242955.db2.gz BLZCOTKKQGJNMB-CYBMUJFWSA-N 1 0 308.451 2.287 10 0 DEAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCOCC1CCC1 ZINC000557993836 291881454 /nfs/dbraw/zinc/88/14/54/291881454.db2.gz JOGIARHXIYJBGK-ZBFHGGJFSA-N 1 0 309.454 2.071 10 0 DEAERO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(n2cncn2)CC1 ZINC000157755506 197213147 /nfs/dbraw/zinc/21/31/47/197213147.db2.gz FRSHUXQSLRTFTG-QLFBSQMISA-N 1 0 319.453 2.093 10 0 DEAERO COc1ccc(CC2CC[NH+]([C@H](C)C(=O)N(C)C)CC2)cc1 ZINC000157724394 197210763 /nfs/dbraw/zinc/21/07/63/197210763.db2.gz PAHKXTQTRUPMNT-CQSZACIVSA-N 1 0 304.434 2.426 10 0 DEAERO C[NH2+][C@@H](Cc1cccc(C(F)(F)F)c1)[C@H](C)S(C)(=O)=O ZINC000157711470 197210107 /nfs/dbraw/zinc/21/01/07/197210107.db2.gz CITWIAHCFFXVBC-CABZTGNLSA-N 1 0 309.353 2.269 10 0 DEAERO Cn1ncc(Br)c1[C@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000157600909 197201148 /nfs/dbraw/zinc/20/11/48/197201148.db2.gz WIEAFUXHTLORCH-LBPRGKRZSA-N 1 0 316.243 2.481 10 0 DEAERO CCCN[C@](C)(CCCC[N@H+](C)CCOCC)C(=O)OC ZINC000157479920 197190859 /nfs/dbraw/zinc/19/08/59/197190859.db2.gz QHIVOJNFIUAVKO-MRXNPFEDSA-N 1 0 302.459 2.056 10 0 DEAERO CCCN[C@@](C)(C[C@@H](C)[N@H+](C)CCOCC)C(=O)OCC ZINC000157474017 197190232 /nfs/dbraw/zinc/19/02/32/197190232.db2.gz OWVMEWMTOGJCAC-ZBFHGGJFSA-N 1 0 302.459 2.055 10 0 DEAERO [NH3+]Cc1ccc(-c2csc([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000157549083 197196287 /nfs/dbraw/zinc/19/62/87/197196287.db2.gz IEXSLZCSWOJXGQ-GFCCVEGCSA-N 1 0 308.428 2.171 10 0 DEAERO O[C@@H](C[NH2+]C1CC1)COc1cc(F)cc(Br)c1 ZINC000157229535 197172210 /nfs/dbraw/zinc/17/22/10/197172210.db2.gz VNJIHEANFMJKCY-NSHDSACASA-N 1 0 304.159 2.080 10 0 DEAERO Cc1cc2sc(C(=O)NC[C@H](C)[NH+](C)C)c(N)c2c(C)n1 ZINC000157017739 197155545 /nfs/dbraw/zinc/15/55/45/197155545.db2.gz SJCKODGVASOYQV-VIFPVBQESA-N 1 0 306.435 2.175 10 0 DEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N(CC(F)(F)F)C(C)C)C1(C)C ZINC000156952600 197153146 /nfs/dbraw/zinc/15/31/46/197153146.db2.gz VHQOOYWREBVNMS-MFKMUULPSA-N 1 0 310.360 2.318 10 0 DEAERO CC(C)(C)[NH2+]CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000156919867 197150283 /nfs/dbraw/zinc/15/02/83/197150283.db2.gz OSFOTXXQXGKEAM-UHFFFAOYSA-N 1 0 304.369 2.334 10 0 DEAERO C[C@@](O)(C[C@H]1COCC[NH2+]1)c1cc(Br)ccc1F ZINC000156886031 197147721 /nfs/dbraw/zinc/14/77/21/197147721.db2.gz ISHVGCZHQPMHLJ-GXFFZTMASA-N 1 0 318.186 2.174 10 0 DEAERO CCC[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)CS2)[NH+](C)C ZINC000156842700 197144856 /nfs/dbraw/zinc/14/48/56/197144856.db2.gz OWGRZODUUCGPST-LBPRGKRZSA-N 1 0 307.419 2.400 10 0 DEAERO CCOC(=O)c1c(NC(=O)[C@@H](C)[C@H](C)[NH3+])sc2c1CCC2 ZINC000156810638 197142356 /nfs/dbraw/zinc/14/23/56/197142356.db2.gz YWNUDRTWISUORU-IUCAKERBSA-N 1 0 310.419 2.335 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000156609099 197127378 /nfs/dbraw/zinc/12/73/78/197127378.db2.gz LBRWFOLKMUTBDG-PLWJUESGSA-N 1 0 314.838 2.324 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000156595617 197126786 /nfs/dbraw/zinc/12/67/86/197126786.db2.gz NBIDNQPWBGBRQR-LURJTMIESA-N 1 0 308.250 2.206 10 0 DEAERO CCNc1nc(Cl)nc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000156563824 197123300 /nfs/dbraw/zinc/12/33/00/197123300.db2.gz PTJBXOAETZLUJI-FGWVZKOKSA-N 1 0 310.833 2.384 10 0 DEAERO O=C(NC[C@H]1CCCCS1)c1cccn1C1CC[NH2+]CC1 ZINC000156409881 197110886 /nfs/dbraw/zinc/11/08/86/197110886.db2.gz SVWOVIFBGFZXAD-CQSZACIVSA-N 1 0 307.463 2.428 10 0 DEAERO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[S@@](C)=O)CC1 ZINC000156012658 197080869 /nfs/dbraw/zinc/08/08/69/197080869.db2.gz XVGQGFQKONAVDN-PEBXRYMYSA-N 1 0 322.474 2.097 10 0 DEAERO C[C@H]1CN(C(=O)c2cccc(F)c2Br)C[C@H](C)[NH2+]1 ZINC000155993084 197079410 /nfs/dbraw/zinc/07/94/10/197079410.db2.gz MYWXJEWCQIQXSI-IUCAKERBSA-N 1 0 315.186 2.411 10 0 DEAERO [NH3+]Cc1cccc(NC(=O)C[S@@](=O)c2ccccc2F)c1 ZINC000155942873 197076123 /nfs/dbraw/zinc/07/61/23/197076123.db2.gz ROXLRHVTLKEINS-NRFANRHFSA-N 1 0 306.362 2.031 10 0 DEAERO Cc1ccc(-c2nc(CCNC(=O)[C@H]3CCC[C@H]3[NH3+])co2)cc1 ZINC000154889731 197002777 /nfs/dbraw/zinc/00/27/77/197002777.db2.gz JEBLBXLDFGNGPF-JKSUJKDBSA-N 1 0 313.401 2.436 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1nccs1 ZINC000154889290 197002767 /nfs/dbraw/zinc/00/27/67/197002767.db2.gz HZJSCWVYYLWZDU-CYBMUJFWSA-N 1 0 310.467 2.105 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc(C(=O)N(C)C)c1 ZINC000175339729 285240659 /nfs/dbraw/zinc/24/06/59/285240659.db2.gz DHYNNEPOXJLXEM-QGZVFWFLSA-N 1 0 303.450 2.305 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000177698714 285241353 /nfs/dbraw/zinc/24/13/53/285241353.db2.gz WMUZFIHZVCKYIX-SJORKVTESA-N 1 0 303.450 2.232 10 0 DEAERO COc1cc(Br)c(C[NH2+]C2(CO)CC2)cc1OC ZINC000120372986 195153593 /nfs/dbraw/zinc/15/35/93/195153593.db2.gz YKRFRJUBZCCLHS-UHFFFAOYSA-N 1 0 316.195 2.081 10 0 DEAERO COc1cc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)ccc1F ZINC000153903571 196919619 /nfs/dbraw/zinc/91/96/19/196919619.db2.gz FWQNUMFXJAGKEC-KGLIPLIRSA-N 1 0 310.413 2.453 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccccc2Cl)CC[N@@H+]1C ZINC000120621734 195203284 /nfs/dbraw/zinc/20/32/84/195203284.db2.gz KTHPQZRUKXNRRM-VXGBXAGGSA-N 1 0 323.824 2.220 10 0 DEAERO Cc1nc(CN(C)C2CC[NH+](CCn3cccn3)CC2)cs1 ZINC000120713412 195221682 /nfs/dbraw/zinc/22/16/82/195221682.db2.gz DHUWUKXNXJNLBY-UHFFFAOYSA-N 1 0 319.478 2.244 10 0 DEAERO Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000120721459 195224565 /nfs/dbraw/zinc/22/45/65/195224565.db2.gz ZJMNGZFKOCQOBA-UKRRQHHQSA-N 1 0 317.433 2.183 10 0 DEAERO COCC[N@@H+]1CCN(Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000120850355 195249519 /nfs/dbraw/zinc/24/95/19/195249519.db2.gz NYJPSYQPZXYYHE-LLVKDONJSA-N 1 0 302.340 2.256 10 0 DEAERO O=C(Nc1nccs1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000560510873 291939034 /nfs/dbraw/zinc/93/90/34/291939034.db2.gz YTYDBUFTBWXYTC-UHFFFAOYSA-N 1 0 317.418 2.324 10 0 DEAERO Fc1ccc2oc(CN3CC[NH+](C4CCOCC4)CC3)nc2c1 ZINC000151980477 196754659 /nfs/dbraw/zinc/75/46/59/196754659.db2.gz UPVWABZPUVXPLZ-UHFFFAOYSA-N 1 0 319.380 2.264 10 0 DEAERO C[C@@H]1C[N@H+](CC2CC2)CC[C@@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000249692411 257106739 /nfs/dbraw/zinc/10/67/39/257106739.db2.gz MNIXOIYNFUSWQU-QBIMZIAESA-N 1 0 306.450 2.182 10 0 DEAERO CN(C)c1ncc2c(n1)[C@@]1(CC[N@H+](CCC(C)(C)C)C1)COC2 ZINC000248261851 257107089 /nfs/dbraw/zinc/10/70/89/257107089.db2.gz MRJALZLTJBJAGZ-GOSISDBHSA-N 1 0 318.465 2.453 10 0 DEAERO c1cncc(CO[C@@H]2CCOC3(C[NH+](C4CCOCC4)C3)C2)c1 ZINC000247968547 257113412 /nfs/dbraw/zinc/11/34/12/257113412.db2.gz TUNOINZYNYJEGH-QGZVFWFLSA-N 1 0 318.417 2.011 10 0 DEAERO O=C(CC1CC1)NCC[C@]12CCO[C@H]1CC[N@H+](CC1CC1)C2 ZINC000247808928 257118541 /nfs/dbraw/zinc/11/85/41/257118541.db2.gz CZIQPYKMNGHXJQ-FUHWJXTLSA-N 1 0 306.450 2.184 10 0 DEAERO c1ccc(O[C@@H]2C[N@@H+](CC3CCOCC3)[C@H]3CCCO[C@@H]23)nc1 ZINC000253479553 257105532 /nfs/dbraw/zinc/10/55/32/257105532.db2.gz RACTXDBLIGAEKP-LZLYRXPVSA-N 1 0 318.417 2.119 10 0 DEAERO COC[C@H](C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186054283 285332538 /nfs/dbraw/zinc/33/25/38/285332538.db2.gz OWYZNLRTLHPSKR-WMLDXEAASA-N 1 0 304.434 2.296 10 0 DEAERO CCC[NH+]1CCC(N2C(=O)[C@@H](C)N[C@H]2c2cccs2)CC1 ZINC000122392567 195444374 /nfs/dbraw/zinc/44/43/74/195444374.db2.gz WKQFYBHJRFKRLT-IUODEOHRSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(-c2ncon2)cc1 ZINC000122120895 195404453 /nfs/dbraw/zinc/40/44/53/195404453.db2.gz PFIIWNYDLLKQLL-BXUZGUMPSA-N 1 0 300.362 2.079 10 0 DEAERO Cc1ccc(F)c(NS(=O)(=O)CCC2CC[NH2+]CC2)c1F ZINC000122272725 195426545 /nfs/dbraw/zinc/42/65/45/195426545.db2.gz GETZNZXAGGRISL-UHFFFAOYSA-N 1 0 318.389 2.405 10 0 DEAERO CCC[NH2+]Cc1cc(CN2CCn3cnnc3C2)c(C)s1 ZINC000123051919 195537930 /nfs/dbraw/zinc/53/79/30/195537930.db2.gz GBNRQMVFTCRZQD-UHFFFAOYSA-N 1 0 305.451 2.163 10 0 DEAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)Nc1c(F)cc(F)cc1Cl ZINC000124367900 195633741 /nfs/dbraw/zinc/63/37/41/195633741.db2.gz URJIHGLPQOZPDK-QMMMGPOBSA-N 1 0 324.780 2.360 10 0 DEAERO CC(C)(C)[C@@H](C[NH2+]C1CC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000124845965 195686231 /nfs/dbraw/zinc/68/62/31/195686231.db2.gz BJWVNIFSXLHRCF-ZIAGYGMSSA-N 1 0 316.511 2.462 10 0 DEAERO CC[NH2+]C[C@@H](O)COc1c(F)cc(F)cc1Br ZINC000126282126 195826549 /nfs/dbraw/zinc/82/65/49/195826549.db2.gz QDWFAWKZCVAPJN-MRVPVSSYSA-N 1 0 310.138 2.077 10 0 DEAERO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000293725518 533366765 /nfs/dbraw/zinc/36/67/65/533366765.db2.gz PVXJKMWPWJMJSH-SECBINFHSA-N 1 0 304.362 2.030 10 0 DEAERO C(COC1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261874481 533367399 /nfs/dbraw/zinc/36/73/99/533367399.db2.gz DLQYXNDNVYVYCG-KSZLIROESA-N 1 0 310.482 2.473 10 0 DEAERO C[NH+]1CCC([C@H]2CCN(C(=O)NCCOCC3CCC3)C2)CC1 ZINC000562282892 291974048 /nfs/dbraw/zinc/97/40/48/291974048.db2.gz YIHGCFGGOGJYME-KRWDZBQOSA-N 1 0 323.481 2.176 10 0 DEAERO COc1cccc(NC(=O)C[NH2+]C2(CCO)CCCCC2)c1 ZINC000440885407 533603858 /nfs/dbraw/zinc/60/38/58/533603858.db2.gz JXNFKCIXMSIPAE-UHFFFAOYSA-N 1 0 306.406 2.309 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)N[C@H]2COc3ccccc32)CC1 ZINC000194702723 132540436 /nfs/dbraw/zinc/54/04/36/132540436.db2.gz ZZCKCKNJGYKDSJ-HNNXBMFYSA-N 1 0 303.406 2.292 10 0 DEAERO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)C2)cn1 ZINC000245845514 132571717 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WQYLAGSBPLQSBM-UHFFFAOYSA-N 1 0 309.413 2.298 10 0 DEAERO [NH3+][C@H](C(=O)NCCc1csc2ccccc12)C1CCOCC1 ZINC000261813645 145229343 /nfs/dbraw/zinc/22/93/43/145229343.db2.gz OXUHVMQSZHNVDN-INIZCTEOSA-N 1 0 318.442 2.314 10 0 DEAERO Cc1nn(C(F)F)c(C)c1CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261814390 145230012 /nfs/dbraw/zinc/23/00/12/145230012.db2.gz HOGDVJHWLFBZTK-GFCCVEGCSA-N 1 0 314.380 2.023 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(N2CCCCC2)cc1 ZINC000261846392 145233279 /nfs/dbraw/zinc/23/32/79/145233279.db2.gz PRVMAIDNWZWRFF-CABCVRRESA-N 1 0 301.434 2.486 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(N2CCCCC2)cc1 ZINC000261846397 145233349 /nfs/dbraw/zinc/23/33/49/145233349.db2.gz PRVMAIDNWZWRFF-HUUCEWRRSA-N 1 0 301.434 2.486 10 0 DEAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000261852860 145233649 /nfs/dbraw/zinc/23/36/49/145233649.db2.gz QJCSCGWEXMKLHX-JQWIXIFHSA-N 1 0 316.323 2.323 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 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10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)Oc1cccc(F)c1 ZINC000261905707 145240140 /nfs/dbraw/zinc/24/01/40/145240140.db2.gz IEHRVUZYETUZHL-RNJTYBCJSA-N 1 0 322.424 2.340 10 0 DEAERO CC(C)C(=O)Nc1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261963666 145248042 /nfs/dbraw/zinc/24/80/42/145248042.db2.gz LBQMXTBRXCJHBZ-HNNXBMFYSA-N 1 0 317.433 2.481 10 0 DEAERO Clc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261975758 145248908 /nfs/dbraw/zinc/24/89/08/145248908.db2.gz RCCQBNXYKJPPND-ZACQAIPSSA-N 1 0 324.852 2.466 10 0 DEAERO C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)C1C[NH2+]C1 ZINC000262019877 145253479 /nfs/dbraw/zinc/25/34/79/145253479.db2.gz AHNJROBJAHPEDG-GFCCVEGCSA-N 1 0 324.384 2.128 10 0 DEAERO [NH3+]Cc1ccc(-c2noc(-c3ccnc(N4CCCC4)n3)n2)cc1 ZINC000262019295 145253715 /nfs/dbraw/zinc/25/37/15/145253715.db2.gz NBQJFGISPHSFNV-UHFFFAOYSA-N 1 0 322.372 2.253 10 0 DEAERO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)c1ccccc1 ZINC000262037222 145255411 /nfs/dbraw/zinc/25/54/11/145255411.db2.gz YCAYPXKMGYJQPX-ZSYWTGECSA-N 1 0 317.477 2.036 10 0 DEAERO Cn1cc(-c2ccc(CN(C3CC3)[C@@H]3CC[NH2+]C3)s2)cn1 ZINC000262038315 145256353 /nfs/dbraw/zinc/25/63/53/145256353.db2.gz XZFVYNJXGLZLEA-CQSZACIVSA-N 1 0 302.447 2.475 10 0 DEAERO CCN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000262089214 145260534 /nfs/dbraw/zinc/26/05/34/145260534.db2.gz UPNAAGFYTQNJLU-WMZOPIPTSA-N 1 0 301.434 2.113 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[C@](C)(C[NH3+])C3)nc21 ZINC000262086540 145260643 /nfs/dbraw/zinc/26/06/43/145260643.db2.gz UCRBWRYAKLEVMD-QGZVFWFLSA-N 1 0 300.406 2.001 10 0 DEAERO C[C@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[C@@H]1c1ccccc1 ZINC000262115445 145263183 /nfs/dbraw/zinc/26/31/83/145263183.db2.gz FOWFFJAFOYRYGF-RDJZCZTQSA-N 1 0 316.445 2.394 10 0 DEAERO CSc1cccc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000262163599 145266808 /nfs/dbraw/zinc/26/68/08/145266808.db2.gz ADJMLISVJWPTIG-CYBMUJFWSA-N 1 0 314.476 2.156 10 0 DEAERO Cc1cc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)nn1-c1ccccc1 ZINC000262163772 145267036 /nfs/dbraw/zinc/26/70/36/145267036.db2.gz YBUYCAVGYVDVKW-INIZCTEOSA-N 1 0 312.417 2.380 10 0 DEAERO Cc1ccc(C(=O)CCC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1C ZINC000262168299 145267404 /nfs/dbraw/zinc/26/74/04/145267404.db2.gz YJBRXMOHDVGWNH-SFHVURJKSA-N 1 0 302.418 2.464 10 0 DEAERO CC(=O)Nc1cccc(CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000262265193 145272183 /nfs/dbraw/zinc/27/21/83/145272183.db2.gz RTOLEXWKQZTCKK-SFHVURJKSA-N 1 0 310.401 2.187 10 0 DEAERO O=C(C[C@H]1COCC[NH2+]1)NCc1ccc(-c2ccccc2)cc1 ZINC000262268676 145272569 /nfs/dbraw/zinc/27/25/69/145272569.db2.gz VLNYRQWGYSJHII-SFHVURJKSA-N 1 0 310.397 2.348 10 0 DEAERO CC(C)c1ccc([C@H](C)CC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262319055 145276602 /nfs/dbraw/zinc/27/66/02/145276602.db2.gz REGGDIBJFTVJLA-XYPHTWIQSA-N 1 0 304.434 2.000 10 0 DEAERO CC(=O)Nc1ccc(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000262489529 145287445 /nfs/dbraw/zinc/28/74/45/145287445.db2.gz KUMICOSLSNGHEO-OAHLLOKOSA-N 1 0 303.406 2.039 10 0 DEAERO Cc1c(C(=O)NC(C)(C)C[NH3+])cnn1-c1ccccc1Cl ZINC000262507034 145288625 /nfs/dbraw/zinc/28/86/25/145288625.db2.gz KPJUYEOGSCKQEU-UHFFFAOYSA-N 1 0 306.797 2.301 10 0 DEAERO COc1ccc(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c(OC)c1 ZINC000262587090 145295465 /nfs/dbraw/zinc/29/54/65/145295465.db2.gz ZWHTWMSVWJNOBZ-SWLSCSKDSA-N 1 0 306.406 2.228 10 0 DEAERO [NH3+]C[C@H](NC(=O)c1cccnc1Nc1ccccc1F)C1CC1 ZINC000262592456 145295800 /nfs/dbraw/zinc/29/58/00/145295800.db2.gz UXKDICIHQSQSNH-HNNXBMFYSA-N 1 0 314.364 2.431 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N[C@](C)(C[NH3+])C3CC3)nc21 ZINC000262613191 145296722 /nfs/dbraw/zinc/29/67/22/145296722.db2.gz FOXKSVDHKSOOCE-QGZVFWFLSA-N 1 0 300.406 2.048 10 0 DEAERO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262723131 145301864 /nfs/dbraw/zinc/30/18/64/145301864.db2.gz GHGDIHGAAXCGEZ-DOMZBBRYSA-N 1 0 313.401 2.307 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2csc(C(C)(C)C)n2)n1 ZINC000263198694 145335490 /nfs/dbraw/zinc/33/54/90/145335490.db2.gz ISWWHTAKSNICQT-JTQLQIEISA-N 1 0 307.423 2.067 10 0 DEAERO Cc1ccc(C(C)(C)Cc2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263226147 145338514 /nfs/dbraw/zinc/33/85/14/145338514.db2.gz MTVUZMHZDMLIRG-HNNXBMFYSA-N 1 0 314.433 2.474 10 0 DEAERO Cc1ccc(C(C)(C)Cc2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263226150 145338840 /nfs/dbraw/zinc/33/88/40/145338840.db2.gz MTVUZMHZDMLIRG-OAHLLOKOSA-N 1 0 314.433 2.474 10 0 DEAERO COCC[C@@H](COC)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000309863245 145350414 /nfs/dbraw/zinc/35/04/14/145350414.db2.gz OHFJKGYDYOJURK-ROUUACIJSA-N 1 0 306.450 2.292 10 0 DEAERO CN(C(=O)c1ccc(Br)cn1)[C@@H]1C[NH+]2CCC1CC2 ZINC000311758800 145354144 /nfs/dbraw/zinc/35/41/44/145354144.db2.gz UVIBUSAIWWMSKZ-CYBMUJFWSA-N 1 0 324.222 2.010 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000332875933 145390561 /nfs/dbraw/zinc/39/05/61/145390561.db2.gz HIIJJMIYBOHQHX-TZMCWYRMSA-N 1 0 319.453 2.106 10 0 DEAERO COCC[C@H](COC)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000336655117 145396371 /nfs/dbraw/zinc/39/63/71/145396371.db2.gz FTSSNILWHJGHRH-GOSISDBHSA-N 1 0 306.450 2.292 10 0 DEAERO COC1([C@H](C)[NH2+]CCN2CCc3sccc3C2)CCOCC1 ZINC000453062270 292146019 /nfs/dbraw/zinc/14/60/19/292146019.db2.gz FFOCOGKIZYOMEE-AWEZNQCLSA-N 1 0 324.490 2.280 10 0 DEAERO CC(=O)N1CCN(C(=O)CC[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000565238164 292149680 /nfs/dbraw/zinc/14/96/80/292149680.db2.gz NSBLTGGEUKZBCN-INIZCTEOSA-N 1 0 323.481 2.016 10 0 DEAERO C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)c1ccc(Cl)s1 ZINC000348261442 146243919 /nfs/dbraw/zinc/24/39/19/146243919.db2.gz MHRNORSZECMQKQ-SECBINFHSA-N 1 0 310.872 2.334 10 0 DEAERO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000348310670 146253544 /nfs/dbraw/zinc/25/35/44/146253544.db2.gz OGSRMLMFMPTRHU-RDTXWAMCSA-N 1 0 316.445 2.471 10 0 DEAERO CC1=CCN(CC[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000358253348 147101474 /nfs/dbraw/zinc/10/14/74/147101474.db2.gz OMXJNDVMRVFQAR-INIZCTEOSA-N 1 0 322.474 2.090 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)c1noc(CC)n1 ZINC000358316208 147112315 /nfs/dbraw/zinc/11/23/15/147112315.db2.gz RWUHEWLZTGOAIG-GFCCVEGCSA-N 1 0 323.441 2.041 10 0 DEAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000358425274 147131029 /nfs/dbraw/zinc/13/10/29/147131029.db2.gz QSDRYMXQARLAPH-CYBMUJFWSA-N 1 0 317.437 2.483 10 0 DEAERO COCCC1(C)CN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000358525623 147150490 /nfs/dbraw/zinc/15/04/90/147150490.db2.gz VIQOBPPJNAXDKT-OAHLLOKOSA-N 1 0 311.470 2.176 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)cc1 ZINC000358787050 147205629 /nfs/dbraw/zinc/20/56/29/147205629.db2.gz CULVFPAOJMAIKY-QWRGUYRKSA-N 1 0 300.362 2.290 10 0 DEAERO C[C@H](CSc1n[nH]c(-c2ccc3c(c2)OCCO3)n1)[NH+](C)C ZINC000358816851 147212326 /nfs/dbraw/zinc/21/23/26/147212326.db2.gz SSSXYPTZFJPDQC-SNVBAGLBSA-N 1 0 320.418 2.285 10 0 DEAERO COC(=O)[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1)C1CC1 ZINC000358820554 147212509 /nfs/dbraw/zinc/21/25/09/147212509.db2.gz SDWIPNDSVJSGCI-ZFWWWQNUSA-N 1 0 308.809 2.460 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000358864241 147220969 /nfs/dbraw/zinc/22/09/69/147220969.db2.gz VGVJZWAERMONDF-OAHLLOKOSA-N 1 0 312.360 2.334 10 0 DEAERO C[C@@H]([NH2+]C1CC(O)(Cc2cccc(F)c2)C1)c1ccc(=O)[nH]n1 ZINC000367611267 147774123 /nfs/dbraw/zinc/77/41/23/147774123.db2.gz BJCFTJPRCJXULL-ACCOQDJYSA-N 1 0 317.364 2.108 10 0 DEAERO O=C1[C@@H]([NH2+]Cc2cccc3[nH]ccc32)CCN1C1CCOCC1 ZINC000371820854 148144014 /nfs/dbraw/zinc/14/40/14/148144014.db2.gz QPCIFWBDRDPIOR-KRWDZBQOSA-N 1 0 313.401 2.037 10 0 DEAERO Cc1ccnc(C2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)n1 ZINC000371887026 148149335 /nfs/dbraw/zinc/14/93/35/148149335.db2.gz BYOAUVNIELKPSK-UHFFFAOYSA-N 1 0 316.430 2.325 10 0 DEAERO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cnn3ccccc23)C1 ZINC000372412904 148205063 /nfs/dbraw/zinc/20/50/63/148205063.db2.gz BNFNBYSKONDMEF-MRXNPFEDSA-N 1 0 312.417 2.311 10 0 DEAERO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccoc1C1CC1 ZINC000374230136 148221007 /nfs/dbraw/zinc/22/10/07/148221007.db2.gz MORGAUGGVFHQNY-CQSZACIVSA-N 1 0 304.390 2.140 10 0 DEAERO c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000374271150 148224662 /nfs/dbraw/zinc/22/46/62/148224662.db2.gz NREYEPKDKOYKRF-SJLPKXTDSA-N 1 0 313.401 2.300 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCOc2cccc(F)c2C1 ZINC000374813218 148292205 /nfs/dbraw/zinc/29/22/05/148292205.db2.gz YSNGMGSQQKBBCZ-CYBMUJFWSA-N 1 0 321.396 2.214 10 0 DEAERO Cc1nn(-c2ccccn2)c(C)c1CN1CCO[C@H](C2CC2)C1 ZINC000375009088 148314985 /nfs/dbraw/zinc/31/49/85/148314985.db2.gz BPWCRZMIQOBRHF-KRWDZBQOSA-N 1 0 312.417 2.495 10 0 DEAERO COc1ccnc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375463407 148376129 /nfs/dbraw/zinc/37/61/29/148376129.db2.gz BLHKTIGSMMNHKC-LBPRGKRZSA-N 1 0 300.362 2.340 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000111804099 401724293 /nfs/dbraw/zinc/72/42/93/401724293.db2.gz VGTQOOZKAFPRIM-KBPBESRZSA-N 1 0 309.410 2.059 10 0 DEAERO C[NH+]1CCC(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000074187693 401732517 /nfs/dbraw/zinc/73/25/17/401732517.db2.gz AAPDAVKHJDBDEU-ROUUACIJSA-N 1 0 316.445 2.443 10 0 DEAERO CC[C@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000112256245 401734608 /nfs/dbraw/zinc/73/46/08/401734608.db2.gz XPMFRKSNKBMRHV-AWEZNQCLSA-N 1 0 317.433 2.497 10 0 DEAERO O=C(c1ncoc1[C@H]1CCCO1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127547138 401739388 /nfs/dbraw/zinc/73/93/88/401739388.db2.gz OMKDODKLEJZVFA-ZIAGYGMSSA-N 1 0 319.405 2.084 10 0 DEAERO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)NC(C1CC1)C1CC1 ZINC000129089868 401799021 /nfs/dbraw/zinc/79/90/21/401799021.db2.gz UPIBLYFFJQQDPB-HOTGVXAUSA-N 1 0 316.449 2.261 10 0 DEAERO CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CC[C@H](C[NH+](C)C)C1 ZINC000114480439 401802008 /nfs/dbraw/zinc/80/20/08/401802008.db2.gz PJFGQDYQOBEGAN-UKRRQHHQSA-N 1 0 317.433 2.100 10 0 DEAERO C[N@@H+]1Cc2ccc(N[C@@H]3CCN(CC(F)(F)F)C3=O)cc2C1 ZINC000114749906 401809179 /nfs/dbraw/zinc/80/91/79/401809179.db2.gz MQQCWKOOEAWXRQ-CYBMUJFWSA-N 1 0 313.323 2.207 10 0 DEAERO CC(C)c1nnc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)n1C ZINC000127904165 401754985 /nfs/dbraw/zinc/75/49/85/401754985.db2.gz MVZRNBLRZALEMH-UONOGXRCSA-N 1 0 302.426 2.409 10 0 DEAERO OC[C@H]([NH2+]CC1=CCCOC1)c1cccc(Br)c1 ZINC000127972505 401757724 /nfs/dbraw/zinc/75/77/24/401757724.db2.gz KNYGRTPQMHTXRP-AWEZNQCLSA-N 1 0 312.207 2.419 10 0 DEAERO CCc1ccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cc1CC ZINC000128048060 401760661 /nfs/dbraw/zinc/76/06/61/401760661.db2.gz MDBXFGZCYJOGDX-UHFFFAOYSA-N 1 0 319.449 2.254 10 0 DEAERO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000112897501 401761195 /nfs/dbraw/zinc/76/11/95/401761195.db2.gz IWMRFMHSUHPNRU-PWSUYJOCSA-N 1 0 314.788 2.409 10 0 DEAERO C[C@H]1CCC[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000075632790 401764871 /nfs/dbraw/zinc/76/48/71/401764871.db2.gz DORKMMZALZCCRW-HOCLYGCPSA-N 1 0 316.449 2.142 10 0 DEAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000075673495 401766441 /nfs/dbraw/zinc/76/64/41/401766441.db2.gz SKUXPALTLOPYDR-QGZVFWFLSA-N 1 0 316.445 2.497 10 0 DEAERO Cc1noc([C@@H]2CCC[N@H+](C[C@](C)(O)c3ccccc3)C2)n1 ZINC000075827426 401769768 /nfs/dbraw/zinc/76/97/68/401769768.db2.gz BJZUDDIHMQQKIX-PBHICJAKSA-N 1 0 301.390 2.465 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCOc2ccccc21 ZINC000113225590 401770604 /nfs/dbraw/zinc/77/06/04/401770604.db2.gz YECHKHWNRWYYFC-IIAWOOMASA-N 1 0 300.402 2.248 10 0 DEAERO COc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1OC ZINC000113229319 401771274 /nfs/dbraw/zinc/77/12/74/401771274.db2.gz AYKGCWKLOQRWSC-CHWSQXEVSA-N 1 0 304.390 2.013 10 0 DEAERO Cc1ccc(C)c(NC(=O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113270554 401773782 /nfs/dbraw/zinc/77/37/82/401773782.db2.gz XFSPWJRVUXZMGW-JKSUJKDBSA-N 1 0 301.434 2.410 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)N1CCc2ccccc21 ZINC000113270901 401774495 /nfs/dbraw/zinc/77/44/95/401774495.db2.gz QZGMZEFZLZELPO-NVXWUHKLSA-N 1 0 313.445 2.134 10 0 DEAERO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128506255 401780108 /nfs/dbraw/zinc/78/01/08/401780108.db2.gz CMLPGJJDCAPROW-GFCCVEGCSA-N 1 0 322.844 2.140 10 0 DEAERO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128506054 401780145 /nfs/dbraw/zinc/78/01/45/401780145.db2.gz CMLPGJJDCAPROW-LBPRGKRZSA-N 1 0 322.844 2.140 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](Cc3c[nH]nc3-c3cccnc3)C2)cn1 ZINC000128516207 401780937 /nfs/dbraw/zinc/78/09/37/401780937.db2.gz AMIOPNNPADJNCC-AWEZNQCLSA-N 1 0 308.389 2.195 10 0 DEAERO Cc1nc(C)c(CCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)s1 ZINC000113619620 401783899 /nfs/dbraw/zinc/78/38/99/401783899.db2.gz GPMVWYGUKLBSNC-FZMZJTMJSA-N 1 0 322.478 2.181 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000076190789 401786244 /nfs/dbraw/zinc/78/62/44/401786244.db2.gz VVIYMOUFYQUVSW-CQSZACIVSA-N 1 0 322.474 2.328 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N[C@H](CO)CC(C)(C)C)CC1 ZINC000128844253 401794661 /nfs/dbraw/zinc/79/46/61/401794661.db2.gz NCTQSNSEIGXBRI-HNNXBMFYSA-N 1 0 313.486 2.205 10 0 DEAERO O=C(NCc1ccccc1)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000013047774 401796075 /nfs/dbraw/zinc/79/60/75/401796075.db2.gz HCOOZEHUCYSGST-QGZVFWFLSA-N 1 0 302.418 2.194 10 0 DEAERO CC[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000077581498 401820975 /nfs/dbraw/zinc/82/09/75/401820975.db2.gz PBXQEAMIDZBNNR-OAGGEKHMSA-N 1 0 311.470 2.365 10 0 DEAERO OCC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000077761420 401829954 /nfs/dbraw/zinc/82/99/54/401829954.db2.gz FIRSQUIXWPWYFJ-NSHDSACASA-N 1 0 320.216 2.190 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@](C)(O)CCC(C)C ZINC000077826001 401834017 /nfs/dbraw/zinc/83/40/17/401834017.db2.gz DMZPSZGQIMHLKT-DOTOQJQBSA-N 1 0 313.486 2.347 10 0 DEAERO C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CCCC[C@@H]1O)C(C)(C)C ZINC000077832649 401834376 /nfs/dbraw/zinc/83/43/76/401834376.db2.gz 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CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCc3ccccc3C2)C1 ZINC000132472024 401867841 /nfs/dbraw/zinc/86/78/41/401867841.db2.gz PXJDAQNNWVUWTP-PBHICJAKSA-N 1 0 301.434 2.483 10 0 DEAERO C[NH+](C)C[C@H]1CCN(C(=O)NCCCc2cccc(F)c2)C1 ZINC000129949385 401812412 /nfs/dbraw/zinc/81/24/12/401812412.db2.gz ULRHJDLIYFVONN-OAHLLOKOSA-N 1 0 307.413 2.351 10 0 DEAERO COc1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc2c1OCCO2 ZINC000129944801 401812637 /nfs/dbraw/zinc/81/26/37/401812637.db2.gz WWJFVBWMBNJULA-ZDUSSCGKSA-N 1 0 319.401 2.467 10 0 DEAERO C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C(=O)N1c1ccccc1 ZINC000119092891 401925339 /nfs/dbraw/zinc/92/53/39/401925339.db2.gz KNCVEJHNZXXIOE-SUMWQHHRSA-N 1 0 323.396 2.069 10 0 DEAERO CCc1ncc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cn1 ZINC000119175490 401931169 /nfs/dbraw/zinc/93/11/69/401931169.db2.gz SDSGZGXOGJFYRS-UHFFFAOYSA-N 1 0 303.410 2.131 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CCc1ncc(C)s1 ZINC000119193834 401932401 /nfs/dbraw/zinc/93/24/01/401932401.db2.gz 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O=C(c1ccc(Br)cc1)N1CC[NH+]2CCC1CC2 ZINC000038690514 401923511 /nfs/dbraw/zinc/92/35/11/401923511.db2.gz CSIFTQTVMGTFIA-UHFFFAOYSA-N 1 0 309.207 2.369 10 0 DEAERO C[NH+](C)C[C@@H](NC(=O)CSc1nncs1)c1ccccc1 ZINC000048274669 401997232 /nfs/dbraw/zinc/99/72/32/401997232.db2.gz OPJWCRJIKSHFRS-GFCCVEGCSA-N 1 0 322.459 2.049 10 0 DEAERO CC(C)COc1ccc([C@H](C)[NH2+]CCCS(N)(=O)=O)cc1 ZINC000045067863 401953461 /nfs/dbraw/zinc/95/34/61/401953461.db2.gz YDWISKRZWPPLHU-ZDUSSCGKSA-N 1 0 314.451 2.051 10 0 DEAERO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1cccnc1N(C)C ZINC000135907433 401955246 /nfs/dbraw/zinc/95/52/46/401955246.db2.gz IYJPYYXLPSFWKQ-NSHDSACASA-N 1 0 315.421 2.298 10 0 DEAERO CC1CC[NH+](CCN2CCC[C@H]2C(=O)Nc2nccs2)CC1 ZINC000119512023 401955589 /nfs/dbraw/zinc/95/55/89/401955589.db2.gz RIDNYXQFRCSOME-AWEZNQCLSA-N 1 0 322.478 2.278 10 0 DEAERO CCC[C@@H](C(=O)NCc1cccc(N2CCCC2=O)c1)[NH+](C)C ZINC000135959947 401956094 /nfs/dbraw/zinc/95/60/94/401956094.db2.gz NZWDQUBAAZJUDQ-INIZCTEOSA-N 1 0 317.433 2.160 10 0 DEAERO C[C@@H]1CN(C(=O)c2ccccc2Br)C[C@H]1[NH+](C)C ZINC000089710072 401958798 /nfs/dbraw/zinc/95/87/98/401958798.db2.gz QHIIPHDGPHTNIF-ZWNOBZJWSA-N 1 0 311.223 2.471 10 0 DEAERO C[C@H](O)CCNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119626542 401962176 /nfs/dbraw/zinc/96/21/76/401962176.db2.gz STHKCUBNMCDROV-YJBOKZPZSA-N 1 0 319.449 2.111 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1OCC1CC1 ZINC000119738335 401965012 /nfs/dbraw/zinc/96/50/12/401965012.db2.gz FUHBTLJMMJKZRI-INIZCTEOSA-N 1 0 317.433 2.369 10 0 DEAERO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1scnc1C1CC1 ZINC000089832601 401966906 /nfs/dbraw/zinc/96/69/06/401966906.db2.gz VBZJOUVXTIYTGM-ZDUSSCGKSA-N 1 0 323.462 2.203 10 0 DEAERO CCC[N@@H+]1CC[C@H](CNC(=O)N(CC)CCc2nccs2)C1 ZINC000119799538 401967159 /nfs/dbraw/zinc/96/71/59/401967159.db2.gz AHRANEQVWJIXIP-CQSZACIVSA-N 1 0 324.494 2.449 10 0 DEAERO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000119900125 401970684 /nfs/dbraw/zinc/97/06/84/401970684.db2.gz YJDZKTNGSVZAFI-MSOLQXFVSA-N 1 0 321.509 2.299 10 0 DEAERO CC(C)[C@@H](C)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000047302557 401980773 /nfs/dbraw/zinc/98/07/73/401980773.db2.gz SCEXUZOLLKRNJE-OAHLLOKOSA-N 1 0 303.450 2.208 10 0 DEAERO CCc1nccn1[C@H]1CCCN(Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000120177320 401981112 /nfs/dbraw/zinc/98/11/12/401981112.db2.gz SBRIHCAKBDGFLS-AWEZNQCLSA-N 1 0 315.421 2.341 10 0 DEAERO CC(=O)N1CC[C@@H](C[N@H+](C)CCN2CCCc3ccccc32)C1 ZINC000090589686 401984899 /nfs/dbraw/zinc/98/48/99/401984899.db2.gz GAFQVAONCAZRET-KRWDZBQOSA-N 1 0 315.461 2.239 10 0 DEAERO COC[C@@H]([NH2+][C@H](C)Cn1ncc2ccccc2c1=O)C(C)C ZINC000090938701 401989586 /nfs/dbraw/zinc/98/95/86/401989586.db2.gz OIDXAJUKWUXIGM-CZUORRHYSA-N 1 0 303.406 2.046 10 0 DEAERO C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047969951 401991239 /nfs/dbraw/zinc/99/12/39/401991239.db2.gz XMYOPMYCDGYBAY-FUHWJXTLSA-N 1 0 321.509 2.489 10 0 DEAERO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047969942 401991399 /nfs/dbraw/zinc/99/13/99/401991399.db2.gz XMYOPMYCDGYBAY-AEFFLSMTSA-N 1 0 321.509 2.489 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000048060723 401993268 /nfs/dbraw/zinc/99/32/68/401993268.db2.gz RVYBWFIBKXKLLQ-QLFBSQMISA-N 1 0 323.437 2.448 10 0 DEAERO C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[C@H]1CCCO1 ZINC000048216767 401996004 /nfs/dbraw/zinc/99/60/04/401996004.db2.gz RULWYCXZOKAJQD-CWRNSKLLSA-N 1 0 305.422 2.156 10 0 DEAERO CSc1ccccc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000043317524 401938577 /nfs/dbraw/zinc/93/85/77/401938577.db2.gz MDKIRHUIHDYNIU-ZDUSSCGKSA-N 1 0 323.462 2.377 10 0 DEAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c(Br)c1 ZINC000119293538 401938696 /nfs/dbraw/zinc/93/86/96/401938696.db2.gz TYEVEOWFNTYOGT-GFCCVEGCSA-N 1 0 311.223 2.468 10 0 DEAERO CC(C)C[C@H]1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000119313765 401940551 /nfs/dbraw/zinc/94/05/51/401940551.db2.gz KSSFPTWKVPFKLS-CVEARBPZSA-N 1 0 316.511 2.416 10 0 DEAERO CC1CC[NH+](CC(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000135455571 401940579 /nfs/dbraw/zinc/94/05/79/401940579.db2.gz XOQBPYVZIRXRHV-KRWDZBQOSA-N 1 0 318.417 2.024 10 0 DEAERO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)Oc2ccccc2)C1 ZINC000120632020 401996787 /nfs/dbraw/zinc/99/67/87/401996787.db2.gz VNUVSDQHQOWVKA-INMHGKMJSA-N 1 0 319.449 2.482 10 0 DEAERO CCn1nc(C)c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000089480798 401949635 /nfs/dbraw/zinc/94/96/35/401949635.db2.gz NLWUJOVRPIDZFI-RISCZKNCSA-N 1 0 307.442 2.466 10 0 DEAERO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000093077594 402011252 /nfs/dbraw/zinc/01/12/52/402011252.db2.gz MHOPZASNJAVUJV-SJORKVTESA-N 1 0 319.493 2.408 10 0 DEAERO CCN(CCc1nccs1)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000121026874 402011324 /nfs/dbraw/zinc/01/13/24/402011324.db2.gz URRQDORFNGTIPO-NSHDSACASA-N 1 0 308.407 2.331 10 0 DEAERO CC(C)Cc1ncc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)s1 ZINC000121097515 402015130 /nfs/dbraw/zinc/01/51/30/402015130.db2.gz ZSQPGFHORAXHFJ-AWEZNQCLSA-N 1 0 309.479 2.248 10 0 DEAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCCN1CCOCC1 ZINC000151172384 402021581 /nfs/dbraw/zinc/02/15/81/402021581.db2.gz RNMNFYGMTPRPPJ-CQSZACIVSA-N 1 0 308.470 2.319 10 0 DEAERO CC(C)C1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000121290288 402026097 /nfs/dbraw/zinc/02/60/97/402026097.db2.gz ZQJTZCHZQPJSNF-GPANFISMSA-N 1 0 311.470 2.173 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000151274501 402027597 /nfs/dbraw/zinc/02/75/97/402027597.db2.gz AGKHKUVDLRWLGU-BZUAXINKSA-N 1 0 311.470 2.173 10 0 DEAERO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000121435793 402035446 /nfs/dbraw/zinc/03/54/46/402035446.db2.gz WVMOPILJSDRPME-KGLIPLIRSA-N 1 0 305.340 2.429 10 0 DEAERO CCOc1cccc(CNC(=O)N[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000052523999 402043787 /nfs/dbraw/zinc/04/37/87/402043787.db2.gz ZYTAJJKEYRAROS-OAHLLOKOSA-N 1 0 305.422 2.369 10 0 DEAERO CC(C)c1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc(=O)[nH]1 ZINC000121629892 402047175 /nfs/dbraw/zinc/04/71/75/402047175.db2.gz XABPWDVAQODQDL-DOMZBBRYSA-N 1 0 305.422 2.369 10 0 DEAERO CC[N@H+](CC(=O)NC[C@H]1CCN(C)c2ccccc21)C1CC1 ZINC000151635742 402047455 /nfs/dbraw/zinc/04/74/55/402047455.db2.gz OFKCVSNAGTXKFD-CQSZACIVSA-N 1 0 301.434 2.211 10 0 DEAERO CCC[C@H](C(=O)NC[C@@H](C)Oc1ccc(OC)cc1)[NH+](C)C ZINC000121666846 402048386 /nfs/dbraw/zinc/04/83/86/402048386.db2.gz KYRYSWCOWFSUGR-CZUORRHYSA-N 1 0 308.422 2.309 10 0 DEAERO Fc1ccc2oc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)nc2c1 ZINC000151686757 402050890 /nfs/dbraw/zinc/05/08/90/402050890.db2.gz VCJUYKJPRSBQLP-CYBMUJFWSA-N 1 0 319.380 2.121 10 0 DEAERO COc1ccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000150855530 402000987 /nfs/dbraw/zinc/00/09/87/402000987.db2.gz WXXXGFCMOZLAAS-BBRMVZONSA-N 1 0 305.422 2.223 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC2(c3ccc(F)cc3F)CC2)C1 ZINC000120860099 402004440 /nfs/dbraw/zinc/00/44/40/402004440.db2.gz WVXZYUBLWQLZRU-CYBMUJFWSA-N 1 0 323.387 2.342 10 0 DEAERO CCC[N@H+](C[C@H](O)COCc1ccco1)C[C@H]1CCCCO1 ZINC000120870364 402005473 /nfs/dbraw/zinc/00/54/73/402005473.db2.gz MKTADFXOEAOBGQ-JKSUJKDBSA-N 1 0 311.422 2.438 10 0 DEAERO COc1ccc([C@@H]([NH2+]Cc2cnnn2C)C2CCOCC2)cc1 ZINC000092852790 402009669 /nfs/dbraw/zinc/00/96/69/402009669.db2.gz WAWXTDOEGSPAAF-QGZVFWFLSA-N 1 0 316.405 2.081 10 0 DEAERO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000057777159 402096875 /nfs/dbraw/zinc/09/68/75/402096875.db2.gz CIPCDMIVPLZEFE-WBVHZDCISA-N 1 0 323.481 2.461 10 0 DEAERO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000123321175 402121468 /nfs/dbraw/zinc/12/14/68/402121468.db2.gz PAVPYNGEIOJNPP-GOEBONIOSA-N 1 0 319.449 2.438 10 0 DEAERO CC[C@H]([NH2+]C[C@@H](C)Cc1ccccc1)C(=O)N1CCOCC1 ZINC000152736632 402106076 /nfs/dbraw/zinc/10/60/76/402106076.db2.gz AKOHQFFTIUOZIA-RDJZCZTQSA-N 1 0 304.434 2.092 10 0 DEAERO Cc1ccc(OC[C@H](O)CN2CCC[N@@H+](C3CC3)CC2)c(C)c1 ZINC000061041168 402106981 /nfs/dbraw/zinc/10/69/81/402106981.db2.gz LUSXVXIENSNWDS-GOSISDBHSA-N 1 0 318.461 2.213 10 0 DEAERO O=C(CCC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000061605676 402108011 /nfs/dbraw/zinc/10/80/11/402108011.db2.gz ZQKCXNVOSQIIBK-UHFFFAOYSA-N 1 0 300.402 2.346 10 0 DEAERO CCOC(=O)c1cnc2cc(C)cc(C)c2c1N1CC[NH2+]CC1 ZINC000053994921 402061240 /nfs/dbraw/zinc/06/12/40/402061240.db2.gz GCNVOGOQIIKMCX-UHFFFAOYSA-N 1 0 313.401 2.438 10 0 DEAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(-n2ccnc2)cc1 ZINC000123435714 402127845 /nfs/dbraw/zinc/12/78/45/402127845.db2.gz CEDPVUWTAZYXGP-JKSUJKDBSA-N 1 0 314.433 2.244 10 0 DEAERO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(F)cc4)cs3)C[C@@H]21 ZINC000153126925 402128315 /nfs/dbraw/zinc/12/83/15/402128315.db2.gz COJSZCZITKAFOA-GJZGRUSLSA-N 1 0 319.405 2.468 10 0 DEAERO COc1ccc(O)c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000123460407 402129147 /nfs/dbraw/zinc/12/91/47/402129147.db2.gz MFGZPGSGSXOPIW-INIZCTEOSA-N 1 0 314.385 2.434 10 0 DEAERO C[C@H](C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccnc1 ZINC000123527630 402132316 /nfs/dbraw/zinc/13/23/16/402132316.db2.gz QSCQBFFWPFXDNB-OAGGEKHMSA-N 1 0 319.449 2.191 10 0 DEAERO C[C@@H]1C[C@@H](N(C)CC(=O)NCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123555794 402134300 /nfs/dbraw/zinc/13/43/00/402134300.db2.gz LDNNSXMHDJKRBZ-CJNGLKHVSA-N 1 0 323.868 2.371 10 0 DEAERO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncnc(Cl)c12 ZINC000098180927 402139317 /nfs/dbraw/zinc/13/93/17/402139317.db2.gz ZQMSJWJNYLHMAG-UHFFFAOYSA-N 1 0 308.813 2.424 10 0 DEAERO CCCN(CCC)C(=O)CN1CCN(CC(F)F)[C@H](CC)C1 ZINC000153326829 402139447 /nfs/dbraw/zinc/13/94/47/402139447.db2.gz GRECNDVSLRGAGC-CQSZACIVSA-N 1 0 319.440 2.296 10 0 DEAERO CC[C@](C)(O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000123641546 402139795 /nfs/dbraw/zinc/13/97/95/402139795.db2.gz ZDBJDCLTBMPLQC-IBGZPJMESA-N 1 0 318.461 2.315 10 0 DEAERO C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100248387 402140566 /nfs/dbraw/zinc/14/05/66/402140566.db2.gz GZRBOMGYHXFDBL-STQMWFEESA-N 1 0 306.410 2.384 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCOCc2ccccc2)C1 ZINC000123352755 402123479 /nfs/dbraw/zinc/12/34/79/402123479.db2.gz POZZTNKIOVMHNJ-KRWDZBQOSA-N 1 0 319.449 2.329 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)CSC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000123764771 402145135 /nfs/dbraw/zinc/14/51/35/402145135.db2.gz PNPONEWIJXXZAI-KFWWJZLASA-N 1 0 314.495 2.230 10 0 DEAERO CC1CCC(N(C)C(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000123716061 402142718 /nfs/dbraw/zinc/14/27/18/402142718.db2.gz LVJYVICMIBYIGA-MNAZLIDISA-N 1 0 309.498 2.438 10 0 DEAERO CC(C)[C@@H](O)CNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000153461423 402146808 /nfs/dbraw/zinc/14/68/08/402146808.db2.gz GZLHGASEVXMHLA-HOTGVXAUSA-N 1 0 313.486 2.059 10 0 DEAERO Cc1ccc(CNC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000123885143 402152303 /nfs/dbraw/zinc/15/23/03/402152303.db2.gz QCPLTVQILHFEHP-ZBFHGGJFSA-N 1 0 321.440 2.165 10 0 DEAERO CC[C@H](C)CSCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000123954341 402155554 /nfs/dbraw/zinc/15/55/54/402155554.db2.gz BEFDJMQNNFXILJ-GJZGRUSLSA-N 1 0 316.511 2.239 10 0 DEAERO CCC(O)(CC)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000124908673 402203145 /nfs/dbraw/zinc/20/31/45/402203145.db2.gz XPZALJFJVDFPIG-INIZCTEOSA-N 1 0 321.465 2.010 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NC(=O)C2=COCCC2)CC1 ZINC000068317505 402192717 /nfs/dbraw/zinc/19/27/17/402192717.db2.gz RXURWDKFNIQLOF-UHFFFAOYSA-N 1 0 315.417 2.461 10 0 DEAERO O=C(C[N@@H+]1CC[C@@]2(CCOC2)C1)NCc1ccc(Cl)s1 ZINC000153712952 402165182 /nfs/dbraw/zinc/16/51/82/402165182.db2.gz WRZJBDRUUUNFPH-CQSZACIVSA-N 1 0 314.838 2.130 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCNc2ccccc2)C1 ZINC000067631997 402165985 /nfs/dbraw/zinc/16/59/85/402165985.db2.gz VUAIZFAMTMFWHO-MRXNPFEDSA-N 1 0 304.438 2.272 10 0 DEAERO CC[NH2+]Cc1ccccc1NC(=O)CCOC[C@H]1CCCO1 ZINC000124162900 402166760 /nfs/dbraw/zinc/16/67/60/402166760.db2.gz CRKVVXRCJOYPLD-OAHLLOKOSA-N 1 0 306.406 2.320 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@H]1CCCOC1 ZINC000124204857 402168959 /nfs/dbraw/zinc/16/89/59/402168959.db2.gz AYFGVVZZXIUIKL-HZPDHXFCSA-N 1 0 311.470 2.175 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CC ZINC000124230127 402170114 /nfs/dbraw/zinc/17/01/14/402170114.db2.gz ZHAJUDBMMWGMBN-INIZCTEOSA-N 1 0 308.466 2.382 10 0 DEAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3ncc[nH]3)C2)c1 ZINC000153781077 402170520 /nfs/dbraw/zinc/17/05/20/402170520.db2.gz GZQJTTDFJKYYAY-CYBMUJFWSA-N 1 0 316.405 2.043 10 0 DEAERO COc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000124277503 402172684 /nfs/dbraw/zinc/17/26/84/402172684.db2.gz WGGMXOFHDBGNDW-OLZOCXBDSA-N 1 0 306.406 2.259 10 0 DEAERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000153891393 402177927 /nfs/dbraw/zinc/17/79/27/402177927.db2.gz YUDZMKMQDDPTRY-XUJVJEKNSA-N 1 0 306.454 2.365 10 0 DEAERO CN(CCC1CCOCC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000154455157 402213466 /nfs/dbraw/zinc/21/34/66/402213466.db2.gz PXSYZLYCVASNBF-GOSISDBHSA-N 1 0 318.461 2.434 10 0 DEAERO CCOC(C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)OCC ZINC000125118579 402213770 /nfs/dbraw/zinc/21/37/70/402213770.db2.gz AVVNBANIQTZOGE-CYBMUJFWSA-N 1 0 308.426 2.192 10 0 DEAERO CC(C)[C@@H](O)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000154478108 402214662 /nfs/dbraw/zinc/21/46/62/402214662.db2.gz VKAOEMISBNTILV-KRWDZBQOSA-N 1 0 304.434 2.306 10 0 DEAERO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](CCC2OCCO2)C1 ZINC000125146213 402215622 /nfs/dbraw/zinc/21/56/22/402215622.db2.gz BVAZLYAGQQJTAO-CVEARBPZSA-N 1 0 319.401 2.028 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)C1CCCCC1 ZINC000106916666 402222370 /nfs/dbraw/zinc/22/23/70/402222370.db2.gz SXOUDDQRJFKVHP-ROUUACIJSA-N 1 0 318.461 2.217 10 0 DEAERO COc1ccc(CNC(=O)C[N@H+](CCCO)CC(C)(C)C)cc1 ZINC000106934627 402223381 /nfs/dbraw/zinc/22/33/81/402223381.db2.gz KCBRUOFUHZZJNW-UHFFFAOYSA-N 1 0 322.449 2.042 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000107230756 402228068 /nfs/dbraw/zinc/22/80/68/402228068.db2.gz QQKUDVYYEKKLHJ-OAHLLOKOSA-N 1 0 316.405 2.443 10 0 DEAERO COc1ccc(OC)c([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c1 ZINC000125480805 402235047 /nfs/dbraw/zinc/23/50/47/402235047.db2.gz LRWXQPSYGHFMOI-SUMWQHHRSA-N 1 0 309.406 2.144 10 0 DEAERO COC(=O)[C@H](C)CN(Cc1csnn1)Cc1ccccc1 ZINC000154958953 402239505 /nfs/dbraw/zinc/23/95/05/402239505.db2.gz RQILBPVARIJYFF-GFCCVEGCSA-N 1 0 305.403 2.349 10 0 DEAERO O=C(NCc1cscn1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107841842 402241942 /nfs/dbraw/zinc/24/19/42/402241942.db2.gz GWSQFDJGZKQHBK-AWEZNQCLSA-N 1 0 308.451 2.303 10 0 DEAERO COCCCOc1ccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1 ZINC000155172901 402247804 /nfs/dbraw/zinc/24/78/04/402247804.db2.gz QYNKVCKEROCXPK-GJZGRUSLSA-N 1 0 320.433 2.267 10 0 DEAERO C[NH+](C)C[C@H]1CN(c2nc(-c3cccc(Cl)c3)no2)CCO1 ZINC000108952108 402265088 /nfs/dbraw/zinc/26/50/88/402265088.db2.gz GOHRJMMSULMVSA-ZDUSSCGKSA-N 1 0 322.796 2.157 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc3ccccc3oc2=O)C1 ZINC000155358080 402253895 /nfs/dbraw/zinc/25/38/95/402253895.db2.gz GBUMTVMWFFKREQ-DOMZBBRYSA-N 1 0 314.385 2.252 10 0 DEAERO C[C@@H]1[C@H](C)OCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000125876251 402255141 /nfs/dbraw/zinc/25/51/41/402255141.db2.gz KMJZVWCXJBYBLI-OLZOCXBDSA-N 1 0 323.412 2.206 10 0 DEAERO Cc1nc(C)c(CCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC000108586424 402258144 /nfs/dbraw/zinc/25/81/44/402258144.db2.gz KDPNTHNLYGBTIH-AWEZNQCLSA-N 1 0 322.478 2.182 10 0 DEAERO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2Cc2ccc(CO)cc2)c1 ZINC000225731105 402322781 /nfs/dbraw/zinc/32/27/81/402322781.db2.gz QZCKZBWTPSLQBI-HKUYNNGSSA-N 1 0 313.397 2.495 10 0 DEAERO CC[C@H](C)Oc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000176608602 402323139 /nfs/dbraw/zinc/32/31/39/402323139.db2.gz DCHKTQHQSKUVHE-WMLDXEAASA-N 1 0 320.433 2.267 10 0 DEAERO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(-n2cnnn2)cc1 ZINC000126242136 402271574 /nfs/dbraw/zinc/27/15/74/402271574.db2.gz LVNQYWSGPPYDLL-STQMWFEESA-N 1 0 301.394 2.128 10 0 DEAERO Cc1ccc(/C=C/CC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000176623086 402324095 /nfs/dbraw/zinc/32/40/95/402324095.db2.gz ZKZFVNMYZCSXOD-SNAWJCMRSA-N 1 0 316.445 2.313 10 0 DEAERO COCC[C@H](C)[NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000176108293 402280324 /nfs/dbraw/zinc/28/03/24/402280324.db2.gz TYYJCSRTMAJYQC-DZGCQCFKSA-N 1 0 312.479 2.444 10 0 DEAERO COc1ccc([C@@H](C)CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000176282038 402296863 /nfs/dbraw/zinc/29/68/63/402296863.db2.gz BRGQQHPIHYECBT-GOEBONIOSA-N 1 0 302.418 2.495 10 0 DEAERO Cc1nnc([C@H]([NH2+][C@H](C)CCn2cccn2)c2ccccc2)[nH]1 ZINC000158809487 402312552 /nfs/dbraw/zinc/31/25/52/402312552.db2.gz YDUVCUQLUWUEJV-CZUORRHYSA-N 1 0 310.405 2.467 10 0 DEAERO COCc1csc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000176487011 402313812 /nfs/dbraw/zinc/31/38/12/402313812.db2.gz IYLOEJSNYZDYLT-NSHDSACASA-N 1 0 312.439 2.143 10 0 DEAERO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000176826255 402341072 /nfs/dbraw/zinc/34/10/72/402341072.db2.gz KGDDPTIHJGWYQV-RDJZCZTQSA-N 1 0 323.481 2.317 10 0 DEAERO O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176851902 402343059 /nfs/dbraw/zinc/34/30/59/402343059.db2.gz VWLVJIHVZKIFBT-UXLLHSPISA-N 1 0 308.466 2.308 10 0 DEAERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000185329522 402343767 /nfs/dbraw/zinc/34/37/67/402343767.db2.gz OJQXNPXPQCURIU-INIZCTEOSA-N 1 0 304.434 2.305 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000185333967 402344562 /nfs/dbraw/zinc/34/45/62/402344562.db2.gz YCFUZCVZLVVHSD-CYBMUJFWSA-N 1 0 305.374 2.337 10 0 DEAERO CNC(=O)CC[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000176913483 402349966 /nfs/dbraw/zinc/34/99/66/402349966.db2.gz ULFGJEVOIWTPFN-UHFFFAOYSA-N 1 0 309.435 2.028 10 0 DEAERO CC(C)NC(=O)CC[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185417988 402351471 /nfs/dbraw/zinc/35/14/71/402351471.db2.gz MHCOJKPGGFYHST-QGZVFWFLSA-N 1 0 318.396 2.153 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2ccccc2[nH]c1=O ZINC000177008194 402358767 /nfs/dbraw/zinc/35/87/67/402358767.db2.gz BSPSILRITDWPQH-CQSZACIVSA-N 1 0 313.401 2.084 10 0 DEAERO COC(=O)c1cc(CN2CCC[C@@H](n3cncn3)C2)c(C)s1 ZINC000177057770 402364771 /nfs/dbraw/zinc/36/47/71/402364771.db2.gz DKDKZTHCECVXRD-CYBMUJFWSA-N 1 0 320.418 2.272 10 0 DEAERO Cc1ccc(CCC(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000177126164 402372382 /nfs/dbraw/zinc/37/23/82/402372382.db2.gz OSJHDUIQQHHENC-UHFFFAOYSA-N 1 0 317.477 2.070 10 0 DEAERO COCC[N@H+](C)CCCNc1ncnc2cc(F)c(OC)cc21 ZINC000185754460 402374236 /nfs/dbraw/zinc/37/42/36/402374236.db2.gz BXBFCUURPHLAOP-UHFFFAOYSA-N 1 0 322.384 2.158 10 0 DEAERO C[C@H]([NH2+]CCCN1CCOCC1)c1ccccc1-n1cccn1 ZINC000177179816 402379166 /nfs/dbraw/zinc/37/91/66/402379166.db2.gz HIHDKTDNBAEPNE-INIZCTEOSA-N 1 0 314.433 2.245 10 0 DEAERO CC(C)[C@H](C)CC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000176674924 402327771 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C[NH2+]C1CCN(C(=O)c2cc(C)n(-c3nccs3)c2C)CC1 ZINC000237142783 402397074 /nfs/dbraw/zinc/39/70/74/402397074.db2.gz CMPWDPOTKKLGPX-UHFFFAOYSA-N 1 0 318.446 2.375 10 0 DEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000161870112 402401744 /nfs/dbraw/zinc/40/17/44/402401744.db2.gz KUXGOBDKODEUBE-XJKSGUPXSA-N 1 0 313.401 2.209 10 0 DEAERO C[C@H](CO)[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186126507 402403944 /nfs/dbraw/zinc/40/39/44/402403944.db2.gz RATFRSKYZVJPKV-YGRLFVJLSA-N 1 0 322.206 2.299 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([S@](C)=O)cc1 ZINC000177457790 402404485 /nfs/dbraw/zinc/40/44/85/402404485.db2.gz XAUMTIOJEMULBY-DMZKTXOQSA-N 1 0 323.462 2.420 10 0 DEAERO C[NH2+]CCN(C)C(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000237348131 402405288 /nfs/dbraw/zinc/40/52/88/402405288.db2.gz ZPBDGMGKVIAFDE-UHFFFAOYSA-N 1 0 324.384 2.490 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]C2CCN(C3CC3)CC2)C12CCOCC2 ZINC000186220412 402412041 /nfs/dbraw/zinc/41/20/41/402412041.db2.gz 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CCc1ccc(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000177778175 402435093 /nfs/dbraw/zinc/43/50/93/402435093.db2.gz VSQRDTNNOJTHMW-QGZVFWFLSA-N 1 0 301.434 2.358 10 0 DEAERO COC(=O)[C@@H](c1ccccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177778632 402435272 /nfs/dbraw/zinc/43/52/72/402435272.db2.gz MHKDBKKQTNZPRR-CZUORRHYSA-N 1 0 306.381 2.210 10 0 DEAERO COc1cc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc(OC)c1C ZINC000186491297 402435546 /nfs/dbraw/zinc/43/55/46/402435546.db2.gz BHMYCWAQBSGEPX-CQSZACIVSA-N 1 0 318.417 2.369 10 0 DEAERO O=C(c1ccc(-n2ccnc2)cc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186505595 402437425 /nfs/dbraw/zinc/43/74/25/402437425.db2.gz MBSCOBGKAPUYQD-HNNXBMFYSA-N 1 0 310.401 2.229 10 0 DEAERO CC(C)(C)c1ccc(OCC[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000177815736 402439104 /nfs/dbraw/zinc/43/91/04/402439104.db2.gz GJBLMORJPZKWBK-UHFFFAOYSA-N 1 0 319.449 2.496 10 0 DEAERO Cc1noc(C)c1CSCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186542007 402440206 /nfs/dbraw/zinc/44/02/06/402440206.db2.gz AGYALIUBRAUIHX-CYBMUJFWSA-N 1 0 323.462 2.268 10 0 DEAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000163078151 402440769 /nfs/dbraw/zinc/44/07/69/402440769.db2.gz ZRQQVLOYMKNNNE-UONOGXRCSA-N 1 0 315.421 2.079 10 0 DEAERO O=C(CCCc1nc(C2CC2)no1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186549128 402441180 /nfs/dbraw/zinc/44/11/80/402441180.db2.gz AYPGOPZNAVNDHZ-ZDUSSCGKSA-N 1 0 318.421 2.013 10 0 DEAERO C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CCN1C ZINC000177852682 402441200 /nfs/dbraw/zinc/44/12/00/402441200.db2.gz FTATZEDQIBTBJI-MAUKXSAKSA-N 1 0 315.461 2.364 10 0 DEAERO O=C(NCCC[NH+]1CCCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000177891510 402442669 /nfs/dbraw/zinc/44/26/69/402442669.db2.gz CVUZJYAESJMCGF-AEFFLSMTSA-N 1 0 323.481 2.199 10 0 DEAERO CCc1cnc(CCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000237011450 402390691 /nfs/dbraw/zinc/39/06/91/402390691.db2.gz OKWTWQSFIAXGIH-YHWZYXNKSA-N 1 0 307.463 2.285 10 0 DEAERO COc1cc(F)c(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1OC 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302.378 2.388 10 0 DEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C/C=C/c2ccc(F)cc2)C[C@@H]1C ZINC000245425885 402459039 /nfs/dbraw/zinc/45/90/39/402459039.db2.gz ULSFOEVNBWSYRL-WCYDHSITSA-N 1 0 320.408 2.143 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCOCc1ccccc1 ZINC000245459647 402462725 /nfs/dbraw/zinc/46/27/25/402462725.db2.gz DQHLCXOCAZQBPA-WBVHZDCISA-N 1 0 317.433 2.081 10 0 DEAERO C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](N2CCOCC2)C1 ZINC000245462532 402463324 /nfs/dbraw/zinc/46/33/24/402463324.db2.gz GNIGSLOARWMVGB-ZIAGYGMSSA-N 1 0 307.438 2.440 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](COC)c1ccccc1 ZINC000245468313 402464071 /nfs/dbraw/zinc/46/40/71/402464071.db2.gz KOQKWWQUYONUTH-DLBZAZTESA-N 1 0 319.449 2.500 10 0 DEAERO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186807870 402465856 /nfs/dbraw/zinc/46/58/56/402465856.db2.gz FCOUKYKEWOQIFC-HUUCEWRRSA-N 1 0 304.434 2.265 10 0 DEAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(-n2cccn2)cc1 ZINC000178180146 402468603 /nfs/dbraw/zinc/46/86/03/402468603.db2.gz RQXOPYFBAVIJGR-ZDUSSCGKSA-N 1 0 313.405 2.066 10 0 DEAERO CN(Cc1nnc(-c2ccccc2)n1C)CC1([NH+](C)C)CCC1 ZINC000186937870 402472548 /nfs/dbraw/zinc/47/25/48/402472548.db2.gz GZIADZPRJIFYJK-UHFFFAOYSA-N 1 0 313.449 2.398 10 0 DEAERO COc1cnccc1[C@@H](C)[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000187066024 402480806 /nfs/dbraw/zinc/48/08/06/402480806.db2.gz CNVBPQBJCMBIFA-LLVKDONJSA-N 1 0 304.350 2.066 10 0 DEAERO CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178293463 402481197 /nfs/dbraw/zinc/48/11/97/402481197.db2.gz QPPOUEVLFHNFPO-INIZCTEOSA-N 1 0 306.454 2.305 10 0 DEAERO O=C1NCC[C@H]1[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000178305817 402482291 /nfs/dbraw/zinc/48/22/91/402482291.db2.gz KUYOZSLGYYRPAY-GDBMZVCRSA-N 1 0 310.401 2.145 10 0 DEAERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC1CCCC1 ZINC000178306550 402482551 /nfs/dbraw/zinc/48/25/51/402482551.db2.gz QXSBISPIFKXHFK-XJKSGUPXSA-N 1 0 304.438 2.103 10 0 DEAERO Cc1cc(C)n2c(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)cnc2n1 ZINC000245728571 402482997 /nfs/dbraw/zinc/48/29/97/402482997.db2.gz JFUUZJRTJFUROC-HOCLYGCPSA-N 1 0 300.406 2.347 10 0 DEAERO COc1ccc(O)cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000187164132 402485774 /nfs/dbraw/zinc/48/57/74/402485774.db2.gz HJERQNIEWMHXRT-AWEZNQCLSA-N 1 0 318.417 2.491 10 0 DEAERO COCCOc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000245772530 402486820 /nfs/dbraw/zinc/48/68/20/402486820.db2.gz SCKWCHRQVIJKID-WBVHZDCISA-N 1 0 304.434 2.380 10 0 DEAERO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)o1 ZINC000187181904 402487084 /nfs/dbraw/zinc/48/70/84/402487084.db2.gz RAVOTRVJUWEFPH-OCCSQVGLSA-N 1 0 323.437 2.136 10 0 DEAERO O=C(NCCCCC[NH+]1CCCCC1)NCC1(CCO)CC1 ZINC000187193518 402487631 /nfs/dbraw/zinc/48/76/31/402487631.db2.gz YDFXDJCHCBTPFS-UHFFFAOYSA-N 1 0 311.470 2.104 10 0 DEAERO CC[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1nccs1 ZINC000187228189 402488960 /nfs/dbraw/zinc/48/89/60/402488960.db2.gz 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C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H](C)CC2)C[C@@H]1C ZINC000249078264 402619453 /nfs/dbraw/zinc/61/94/53/402619453.db2.gz LBQVMIYWNHANOE-FXUDXRNXSA-N 1 0 311.470 2.052 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc(OCC2CC2)cc1)N1CCOCC1 ZINC000190728120 402620429 /nfs/dbraw/zinc/62/04/29/402620429.db2.gz XFYMOAPCXFTPII-HNNXBMFYSA-N 1 0 304.434 2.286 10 0 DEAERO COc1cccc(Cl)c1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000190746003 402621153 /nfs/dbraw/zinc/62/11/53/402621153.db2.gz UITZQYYUELFQOK-LLVKDONJSA-N 1 0 311.813 2.194 10 0 DEAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180660318 402622795 /nfs/dbraw/zinc/62/27/95/402622795.db2.gz UEGUCJOCKAJBNI-UONOGXRCSA-N 1 0 300.406 2.438 10 0 DEAERO Cn1cc(NC(=O)NCCCCC[NH+]2CCCCC2)ccc1=O ZINC000171815015 402625317 /nfs/dbraw/zinc/62/53/17/402625317.db2.gz MQCWUBDJFQRRNE-UHFFFAOYSA-N 1 0 320.437 2.163 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cnc(C(C)(C)C)nc2)C1 ZINC000171318450 402577561 /nfs/dbraw/zinc/57/75/61/402577561.db2.gz OMNMBDSWOMQSBY-LBPRGKRZSA-N 1 0 305.426 2.380 10 0 DEAERO C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N(C)c1ccccc1 ZINC000171900888 402632563 /nfs/dbraw/zinc/63/25/63/402632563.db2.gz AJBZHONDXWZRAQ-DOTOQJQBSA-N 1 0 316.449 2.001 10 0 DEAERO Cc1cc(C)cc(OCCC[N@@H+]2CCN(CCO)[C@@H](C)C2)c1 ZINC000249588764 402635540 /nfs/dbraw/zinc/63/55/40/402635540.db2.gz UTBWTPQFEXRLSV-KRWDZBQOSA-N 1 0 306.450 2.071 10 0 DEAERO Cc1cccc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000249614026 402636912 /nfs/dbraw/zinc/63/69/12/402636912.db2.gz WXBNGGKUEUFGFS-HIFRSBDPSA-N 1 0 304.438 2.310 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)OCCCO2 ZINC000172060405 402638758 /nfs/dbraw/zinc/63/87/58/402638758.db2.gz IWEPYBRWNZDQID-DZGCQCFKSA-N 1 0 316.401 2.157 10 0 DEAERO CCc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1F ZINC000181281713 402639492 /nfs/dbraw/zinc/63/94/92/402639492.db2.gz HLSSERUMLWSKGT-CQSZACIVSA-N 1 0 309.385 2.182 10 0 DEAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000249799095 402642733 /nfs/dbraw/zinc/64/27/33/402642733.db2.gz YDIPGDRHYHJONH-XFIYOXNOSA-N 1 0 311.470 2.220 10 0 DEAERO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000250096597 402644519 /nfs/dbraw/zinc/64/45/19/402644519.db2.gz QUKRROOPSIORAI-KWBADKCTSA-N 1 0 314.788 2.361 10 0 DEAERO CCc1oc2ccccc2c1C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000250115677 402644760 /nfs/dbraw/zinc/64/47/60/402644760.db2.gz ULAPTOPPOYRFOK-AWEZNQCLSA-N 1 0 302.418 2.494 10 0 DEAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CCOCC(F)(F)C(F)(F)F ZINC000191168371 402647474 /nfs/dbraw/zinc/64/74/74/402647474.db2.gz UGIXCLCSVUCCNH-IUCAKERBSA-N 1 0 305.287 2.434 10 0 DEAERO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cccnc1-n1cncn1 ZINC000181505236 402647872 /nfs/dbraw/zinc/64/78/72/402647872.db2.gz FDOLUCPQGHZWNJ-LSDHHAIUSA-N 1 0 315.421 2.346 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccnn1C(C)(C)C ZINC000251676652 402648734 /nfs/dbraw/zinc/64/87/34/402648734.db2.gz MQUCPSDVXGKNJH-STQMWFEESA-N 1 0 305.426 2.339 10 0 DEAERO CCOc1c(Cl)cccc1CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000191183995 402649245 /nfs/dbraw/zinc/64/92/45/402649245.db2.gz DIZYZAMCZANJEM-CYBMUJFWSA-N 1 0 310.825 2.444 10 0 DEAERO Cc1ccc(OC2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)nc1 ZINC000181554475 402649767 /nfs/dbraw/zinc/64/97/67/402649767.db2.gz LBURTFFXNFDRLF-HNNXBMFYSA-N 1 0 322.449 2.409 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccn([C@H](C)COC)n1 ZINC000251847628 402649944 /nfs/dbraw/zinc/64/99/44/402649944.db2.gz PJKKODIEZAMPIG-KGLIPLIRSA-N 1 0 323.441 2.039 10 0 DEAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1noc2c1CCCC2 ZINC000191200638 402650476 /nfs/dbraw/zinc/65/04/76/402650476.db2.gz XNEBXMZHJSINBW-HSMVNMDESA-N 1 0 304.390 2.327 10 0 DEAERO C[C@H]1CSCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000191256729 402655241 /nfs/dbraw/zinc/65/52/41/402655241.db2.gz DZYHKGHGIUTJTI-GDBMZVCRSA-N 1 0 306.475 2.371 10 0 DEAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)N(C)Cc1ccccc1F ZINC000191265150 402655467 /nfs/dbraw/zinc/65/54/67/402655467.db2.gz HVCFENQPDUYXKU-STQMWFEESA-N 1 0 308.397 2.018 10 0 DEAERO COc1ccc(OC)c(CN(C(=O)[C@@H](C)[C@@H](C)[NH3+])C2CC2)c1 ZINC000192002874 402703922 /nfs/dbraw/zinc/70/39/22/402703922.db2.gz DZYMUVJJXJFOIV-NWDGAFQWSA-N 1 0 306.406 2.178 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)N1CCC(C(C)(C)C)CC1 ZINC000173585873 402704126 /nfs/dbraw/zinc/70/41/26/402704126.db2.gz KXDGQJDEUUOEFK-UHFFFAOYSA-N 1 0 313.486 2.422 10 0 DEAERO CC(C)(C)c1nc(CN2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000173953149 402721453 /nfs/dbraw/zinc/72/14/53/402721453.db2.gz HBYPPNCGYLURGW-CQSZACIVSA-N 1 0 309.479 2.347 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000173885816 402717064 /nfs/dbraw/zinc/71/70/64/402717064.db2.gz HMKMLPSLRAVLLS-ZJUUUORDSA-N 1 0 322.883 2.409 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(F)c1 ZINC000173886936 402717084 /nfs/dbraw/zinc/71/70/84/402717084.db2.gz JDNSYWXSAOGQGM-JSGCOSHPSA-N 1 0 314.426 2.141 10 0 DEAERO CCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000252841864 402661364 /nfs/dbraw/zinc/66/13/64/402661364.db2.gz CJFXANDLFPAOCM-DRZSPHRISA-N 1 0 314.476 2.058 10 0 DEAERO CO[C@H](C)C[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000182015516 402664224 /nfs/dbraw/zinc/66/42/24/402664224.db2.gz APDWGHLHCVRZTG-CQSZACIVSA-N 1 0 312.841 2.371 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000172600899 402665564 /nfs/dbraw/zinc/66/55/64/402665564.db2.gz IPTFCWORALNRQD-CYBMUJFWSA-N 1 0 319.453 2.059 10 0 DEAERO CCc1noc(C)c1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182090561 402667114 /nfs/dbraw/zinc/66/71/14/402667114.db2.gz YTMBKIPCRSNXPU-ZDUSSCGKSA-N 1 0 306.410 2.495 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)OC[C@H]1CCCCO1 ZINC000253549315 402668626 /nfs/dbraw/zinc/66/86/26/402668626.db2.gz QGWNSMHYSAAVFB-YLFCFFPRSA-N 1 0 324.465 2.046 10 0 DEAERO O=C(c1cc2ccccc2s1)N1CC[C@H](N2CCOCC2)C1 ZINC000172742060 402672799 /nfs/dbraw/zinc/67/27/99/402672799.db2.gz UJGIPEVYJXHEJY-AWEZNQCLSA-N 1 0 316.426 2.448 10 0 DEAERO O=C(CC/C=C/c1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172749029 402673003 /nfs/dbraw/zinc/67/30/03/402673003.db2.gz BSSZJOBCFPHQMU-SBLNNXNXSA-N 1 0 314.429 2.413 10 0 DEAERO C[C@H]1C[C@H](N(C)CC(=O)Nc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000172847480 402677981 /nfs/dbraw/zinc/67/79/81/402677981.db2.gz YSTDMVZQIVOROH-XHDPSFHLSA-N 1 0 311.376 2.318 10 0 DEAERO C[C@@](O)(CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000182317374 402680900 /nfs/dbraw/zinc/68/09/00/402680900.db2.gz JVVPAWIUNFWQSC-LJQANCHMSA-N 1 0 316.445 2.371 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccoc3)C2=O)n(C)n1 ZINC000182341737 402682277 /nfs/dbraw/zinc/68/22/77/402682277.db2.gz UTUJXHOXDNDFKE-OCCSQVGLSA-N 1 0 302.378 2.168 10 0 DEAERO CCCC[C@@H](COC)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182352473 402682961 /nfs/dbraw/zinc/68/29/61/402682961.db2.gz YFPDIUCHTSEGOU-LSDHHAIUSA-N 1 0 322.453 2.019 10 0 DEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(O)cc1O ZINC000182492837 402694571 /nfs/dbraw/zinc/69/45/71/402694571.db2.gz HJAHDCHCYKMJIJ-ZDUSSCGKSA-N 1 0 314.385 2.348 10 0 DEAERO COCc1ccsc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000182553791 402698964 /nfs/dbraw/zinc/69/89/64/402698964.db2.gz PPJOAXBEKLHMKG-TZMCWYRMSA-N 1 0 308.447 2.451 10 0 DEAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)C1CCCCCC1 ZINC000262480744 402725926 /nfs/dbraw/zinc/72/59/26/402725926.db2.gz XXSJULDYHKQEPU-UHFFFAOYSA-N 1 0 305.426 2.191 10 0 DEAERO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](CO)c2ccccc2)sc1C ZINC000182916201 402726817 /nfs/dbraw/zinc/72/68/17/402726817.db2.gz RSAIKVJWLDEOEN-FZMZJTMJSA-N 1 0 319.430 2.410 10 0 DEAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1nccn1C ZINC000182982545 402730843 /nfs/dbraw/zinc/73/08/43/402730843.db2.gz UQEYEYZFTTVHQV-VYDXJSESSA-N 1 0 313.449 2.376 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)Oc2cccc(F)c2)C1 ZINC000174233982 402732633 /nfs/dbraw/zinc/73/26/33/402732633.db2.gz WZUZOGPLPPIJDN-UKRRQHHQSA-N 1 0 323.412 2.377 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)Oc2cccc(F)c2)C1 ZINC000174233962 402732884 /nfs/dbraw/zinc/73/28/84/402732884.db2.gz WZUZOGPLPPIJDN-HIFRSBDPSA-N 1 0 323.412 2.377 10 0 DEAERO CCN1CCC[C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192497445 402733038 /nfs/dbraw/zinc/73/30/38/402733038.db2.gz SRARQIAFONTLAB-ZDUSSCGKSA-N 1 0 305.447 2.174 10 0 DEAERO CC(C)c1noc2ncc(C(=O)NCC[NH2+]C(C)(C)C)cc21 ZINC000174249951 402733838 /nfs/dbraw/zinc/73/38/38/402733838.db2.gz TWVBVKZUEIPMPX-UHFFFAOYSA-N 1 0 304.394 2.464 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNCc1ccc2c(c1)sc(=O)n2C ZINC000192533053 402735497 /nfs/dbraw/zinc/73/54/97/402735497.db2.gz JQDQFQIAIFLMTD-GFCCVEGCSA-N 1 0 307.463 2.420 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2nc(COC)cs2)C1 ZINC000174397551 402739170 /nfs/dbraw/zinc/73/91/70/402739170.db2.gz RTTKZSSTXLJJHQ-LBPRGKRZSA-N 1 0 312.439 2.238 10 0 DEAERO C[NH+](C)CCOc1cc(C(=O)NCCc2ccsc2)ccn1 ZINC000183111338 402739339 /nfs/dbraw/zinc/73/93/39/402739339.db2.gz PVJQQUOBFZTOTE-UHFFFAOYSA-N 1 0 319.430 2.056 10 0 DEAERO CCCNc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000192604358 402739845 /nfs/dbraw/zinc/73/98/45/402739845.db2.gz LKZKETNRDGWFQH-KRWDZBQOSA-N 1 0 316.449 2.498 10 0 DEAERO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2nccn2C)C1 ZINC000183112220 402740183 /nfs/dbraw/zinc/74/01/83/402740183.db2.gz PFEQXECRLGGPFZ-KBPBESRZSA-N 1 0 300.406 2.358 10 0 DEAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2Oc3ccccc3[C@H]2C)C1 ZINC000174471910 402742605 /nfs/dbraw/zinc/74/26/05/402742605.db2.gz YIMUCNBKJZQXNT-KEYYUXOJSA-N 1 0 302.418 2.351 10 0 DEAERO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)[C@H]1CCCO1 ZINC000183174766 402744258 /nfs/dbraw/zinc/74/42/58/402744258.db2.gz IUTBZZXTCBNGIT-WMLDXEAASA-N 1 0 302.418 2.335 10 0 DEAERO C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192715764 402745822 /nfs/dbraw/zinc/74/58/22/402745822.db2.gz MMEPCXNATLOULO-LBPRGKRZSA-N 1 0 310.438 2.049 10 0 DEAERO C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183606083 402781180 /nfs/dbraw/zinc/78/11/80/402781180.db2.gz IKERHYWCFWOLAU-CXAGYDPISA-N 1 0 313.401 2.390 10 0 DEAERO CC[C@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1nccn1C ZINC000183220779 402747977 /nfs/dbraw/zinc/74/79/77/402747977.db2.gz ITNJWVIGUZSMRA-STQMWFEESA-N 1 0 302.426 2.191 10 0 DEAERO Cc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c(C)n1C1CC1 ZINC000263236964 402749122 /nfs/dbraw/zinc/74/91/22/402749122.db2.gz OEIOFAFHWMRNOX-AWEZNQCLSA-N 1 0 301.394 2.066 10 0 DEAERO [NH3+]CCOc1ccc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)cc1 ZINC000183260015 402750970 /nfs/dbraw/zinc/75/09/70/402750970.db2.gz QEPOVHMADWPWLI-INIZCTEOSA-N 1 0 316.332 2.105 10 0 DEAERO CCCn1nccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174696496 402753014 /nfs/dbraw/zinc/75/30/14/402753014.db2.gz PMGSANVQQIYOIN-AGUYFDCRSA-N 1 0 305.426 2.430 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)NCC1CC[NH+](C)CC1 ZINC000174746666 402754978 /nfs/dbraw/zinc/75/49/78/402754978.db2.gz LVUBRMGIYQTWTO-OAHLLOKOSA-N 1 0 319.449 2.233 10 0 DEAERO C[C@H](c1nc([C@H]2C[NH2+]CCN2C)no1)c1cccc(Cl)c1 ZINC000263303493 402756491 /nfs/dbraw/zinc/75/64/91/402756491.db2.gz XLNLRHZZWFEXQJ-GXFFZTMASA-N 1 0 306.797 2.451 10 0 DEAERO Cc1noc(C)c1[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC000183614601 402781829 /nfs/dbraw/zinc/78/18/29/402781829.db2.gz PYXYOKVXROXTLG-SNVBAGLBSA-N 1 0 302.378 2.286 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccnn1C ZINC000192990783 402759905 /nfs/dbraw/zinc/75/99/05/402759905.db2.gz AJOLCLDFKPSPSE-WCQYABFASA-N 1 0 302.353 2.015 10 0 DEAERO CCCCOc1ccc([C@@H](C)NC(=O)C2C[NH2+]C2)cc1OC ZINC000263341871 402760314 /nfs/dbraw/zinc/76/03/14/402760314.db2.gz XUGOYVKVODPQRF-GFCCVEGCSA-N 1 0 306.406 2.271 10 0 DEAERO O=C(NCCCCCO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193014811 402760880 /nfs/dbraw/zinc/76/08/80/402760880.db2.gz MNYWFXPRHTYICQ-UHFFFAOYSA-N 1 0 319.449 2.244 10 0 DEAERO COC(=O)c1coc(C(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000183390807 402762806 /nfs/dbraw/zinc/76/28/06/402762806.db2.gz PPPKERZFHZSHIE-UHFFFAOYSA-N 1 0 322.405 2.308 10 0 DEAERO COC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174950771 402765944 /nfs/dbraw/zinc/76/59/44/402765944.db2.gz QLRLDJKGCCZJSZ-MRXNPFEDSA-N 1 0 304.434 2.392 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccccc1OC ZINC000174970247 402768024 /nfs/dbraw/zinc/76/80/24/402768024.db2.gz WTOVJZDBOPZYMB-HZPDHXFCSA-N 1 0 302.418 2.323 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(NC(C)=O)cc1 ZINC000175010074 402771277 /nfs/dbraw/zinc/77/12/77/402771277.db2.gz OVHTXSUOBXLZMS-IAGOWNOFSA-N 1 0 315.417 2.344 10 0 DEAERO CCOCCNC(=O)C[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183493040 402771815 /nfs/dbraw/zinc/77/18/15/402771815.db2.gz TYRBUGGULJALTG-INIZCTEOSA-N 1 0 304.434 2.245 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000183504773 402772581 /nfs/dbraw/zinc/77/25/81/402772581.db2.gz SGLXDCMDOHKHIV-OAHLLOKOSA-N 1 0 319.792 2.264 10 0 DEAERO CCOc1ncccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175071779 402776279 /nfs/dbraw/zinc/77/62/79/402776279.db2.gz BSEHYMNDTZAWBN-CHWSQXEVSA-N 1 0 306.410 2.427 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C)c2Cl)C1 ZINC000175103796 402779741 /nfs/dbraw/zinc/77/97/41/402779741.db2.gz YMKRSZTYWUPDOR-LBPRGKRZSA-N 1 0 323.824 2.187 10 0 DEAERO CN(C(=O)c1cnn(CCC(F)(F)F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000182870450 402723138 /nfs/dbraw/zinc/72/31/38/402723138.db2.gz KBZRVVYBFVRFIT-GFCCVEGCSA-N 1 0 318.343 2.002 10 0 DEAERO CC(C)C(=O)Nc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195330017 402842070 /nfs/dbraw/zinc/84/20/70/402842070.db2.gz LAYIJAFGQPOBLE-INIZCTEOSA-N 1 0 315.417 2.201 10 0 DEAERO CCOC(=O)CN[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000194439109 402797624 /nfs/dbraw/zinc/79/76/24/402797624.db2.gz QUJWXLIMXPAAJX-GFCCVEGCSA-N 1 0 312.360 2.082 10 0 DEAERO O=C(CCCOc1ccccc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195336860 402842485 /nfs/dbraw/zinc/84/24/85/402842485.db2.gz OTZHUGCFSBYELO-AWEZNQCLSA-N 1 0 306.381 2.291 10 0 DEAERO CCCCOC(=O)CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183818510 402800362 /nfs/dbraw/zinc/80/03/62/402800362.db2.gz WMSVCDTYPWDGAP-UHFFFAOYSA-N 1 0 305.422 2.327 10 0 DEAERO COC(=O)c1coc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000183854463 402801687 /nfs/dbraw/zinc/80/16/87/402801687.db2.gz SKCZTZJFDFMTQD-UHFFFAOYSA-N 1 0 320.389 2.203 10 0 DEAERO COc1cccc(CNC(=O)NC2CC[NH+](CC(C)C)CC2)n1 ZINC000194648499 402807843 /nfs/dbraw/zinc/80/78/43/402807843.db2.gz ZAWBEXQOHJNDIY-UHFFFAOYSA-N 1 0 320.437 2.010 10 0 DEAERO COc1nc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc2ccccc21 ZINC000195338520 402842937 /nfs/dbraw/zinc/84/29/37/402842937.db2.gz FTHBRRBFGHVVBZ-CQSZACIVSA-N 1 0 311.385 2.164 10 0 DEAERO Cc1nc2ccccc2n1CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000194919879 402822948 /nfs/dbraw/zinc/82/29/48/402822948.db2.gz GNPPUDAKYPXRDV-OAHLLOKOSA-N 1 0 316.449 2.437 10 0 DEAERO COc1ccc(CCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000195076960 402830466 /nfs/dbraw/zinc/83/04/66/402830466.db2.gz DKUSPISBATTXGN-MRXNPFEDSA-N 1 0 302.418 2.325 10 0 DEAERO C[S@](=O)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000175774674 402831594 /nfs/dbraw/zinc/83/15/94/402831594.db2.gz LHUJQKGMVKGJSQ-PEBXRYMYSA-N 1 0 321.446 2.126 10 0 DEAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1cccc2[nH]ccc21 ZINC000195161062 402834688 /nfs/dbraw/zinc/83/46/88/402834688.db2.gz FWALCWZTYGYPDM-CYBMUJFWSA-N 1 0 316.405 2.136 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000175852637 402838088 /nfs/dbraw/zinc/83/80/88/402838088.db2.gz NJGAKXHEZQGWSM-MSOLQXFVSA-N 1 0 323.433 2.122 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000175851526 402838143 /nfs/dbraw/zinc/83/81/43/402838143.db2.gz LRVGGVQTJXHEJD-OAHLLOKOSA-N 1 0 303.349 2.208 10 0 DEAERO CC(C)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccnc1 ZINC000175897813 402840920 /nfs/dbraw/zinc/84/09/20/402840920.db2.gz MYPWHGKTWLTAAT-HOTGVXAUSA-N 1 0 304.438 2.167 10 0 DEAERO O=C(C[NH2+][C@@H](CO)c1ccccc1)Nc1cc(F)cc(F)c1 ZINC000183629735 402783063 /nfs/dbraw/zinc/78/30/63/402783063.db2.gz YWBGAIQHEDNIGM-HNNXBMFYSA-N 1 0 306.312 2.227 10 0 DEAERO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000194131255 402784970 /nfs/dbraw/zinc/78/49/70/402784970.db2.gz YOCFKCDWJGCZFR-GOEBONIOSA-N 1 0 309.454 2.071 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C(C)C)C1 ZINC000194157808 402786212 /nfs/dbraw/zinc/78/62/12/402786212.db2.gz HSZXZGPBGRWTHW-CQSZACIVSA-N 1 0 317.433 2.349 10 0 DEAERO CC(C)[C@H](C)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000194189719 402787328 /nfs/dbraw/zinc/78/73/28/402787328.db2.gz GDPZLDSNBLYIHQ-AWEZNQCLSA-N 1 0 304.438 2.390 10 0 DEAERO CCOc1ccc(C(C)=O)cc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000194222757 402788347 /nfs/dbraw/zinc/78/83/47/402788347.db2.gz BRZXQONZOMBOKL-WFASDCNBSA-N 1 0 318.417 2.374 10 0 DEAERO CC(C)Oc1ccccc1CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195450796 402845923 /nfs/dbraw/zinc/84/59/23/402845923.db2.gz HPLQRFZMUPIFQL-INIZCTEOSA-N 1 0 302.418 2.323 10 0 DEAERO CC(C)Oc1ccccc1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195450788 402846145 /nfs/dbraw/zinc/84/61/45/402846145.db2.gz HPLQRFZMUPIFQL-MRXNPFEDSA-N 1 0 302.418 2.323 10 0 DEAERO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504336 402848095 /nfs/dbraw/zinc/84/80/95/402848095.db2.gz PXIPEQAALVHLSL-OAHLLOKOSA-N 1 0 320.481 2.493 10 0 DEAERO Cc1ccc([C@@H](C[NH2+][C@@H]2CCCSC2)N2CCOCC2)o1 ZINC000195558449 402851044 /nfs/dbraw/zinc/85/10/44/402851044.db2.gz OHNUVOWZEHQQLX-HUUCEWRRSA-N 1 0 310.463 2.447 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCCCNc1nc2c(cnn2C)c(N)n1 ZINC000278417676 402865562 /nfs/dbraw/zinc/86/55/62/402865562.db2.gz OJOYLNMZWRVNMS-LBPRGKRZSA-N 1 0 317.441 2.012 10 0 DEAERO CC[C@H](O)C[NH+]1CCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000265407799 402916490 /nfs/dbraw/zinc/91/64/90/402916490.db2.gz LGFYBKIVPQTSSL-ZDUSSCGKSA-N 1 0 320.824 2.176 10 0 DEAERO CCn1ccnc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1=O ZINC000274173679 403032056 /nfs/dbraw/zinc/03/20/56/403032056.db2.gz NKVKBQYCEMZABK-GDBMZVCRSA-N 1 0 312.417 2.196 10 0 DEAERO Cn1cc(-c2cc(CN3CC[C@H]([NH+]4CCCCC4)C3)on2)cn1 ZINC000274418935 403053749 /nfs/dbraw/zinc/05/37/49/403053749.db2.gz NTWQCHPYFJXYED-HNNXBMFYSA-N 1 0 315.421 2.135 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CN2CCCCC2)C12CCOCC2 ZINC000248997432 286291770 /nfs/dbraw/zinc/29/17/70/286291770.db2.gz MIXZKBDEMMHFQC-BRWVUGGUSA-N 1 0 310.482 2.425 10 0 DEAERO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000566632040 292257842 /nfs/dbraw/zinc/25/78/42/292257842.db2.gz FKNZIPZIGMEKFX-CVEARBPZSA-N 1 0 308.447 2.045 10 0 DEAERO CC(C)c1cnc(NC(=O)NCCNc2cc[nH+]cc2)s1 ZINC000566634631 292257854 /nfs/dbraw/zinc/25/78/54/292257854.db2.gz PPBFVQYNJRQZPM-UHFFFAOYSA-N 1 0 305.407 2.317 10 0 DEAERO COCCN1CC[C@@H]([NH2+]Cc2ccsc2Br)C1 ZINC000282316325 403143068 /nfs/dbraw/zinc/14/30/68/403143068.db2.gz SYEXCFITZTUMPS-LLVKDONJSA-N 1 0 319.268 2.321 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cscc1C ZINC000276093146 403145221 /nfs/dbraw/zinc/14/52/21/403145221.db2.gz FJTVQRADAKPABD-QWHCGFSZSA-N 1 0 321.446 2.080 10 0 DEAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc(I)c1 ZINC000283794986 403224057 /nfs/dbraw/zinc/22/40/57/403224057.db2.gz APXWTCORPHKCSZ-VHSXEESVSA-N 1 0 319.186 2.398 10 0 DEAERO CN(CC1(O)CCCCCC1)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000342112191 289324811 /nfs/dbraw/zinc/32/48/11/289324811.db2.gz OBDSIPWNTQAERT-LSDHHAIUSA-N 1 0 311.470 2.196 10 0 DEAERO c1ccc(COCCC[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285440096 403296748 /nfs/dbraw/zinc/29/67/48/403296748.db2.gz XLWBMDISMXEHNL-GOSISDBHSA-N 1 0 305.418 2.475 10 0 DEAERO CCn1cc(CC[N@@H+]2C[C@H](O)C[C@H]2c2cccc(OC)c2)cn1 ZINC000286213533 403473914 /nfs/dbraw/zinc/47/39/14/403473914.db2.gz QPWPLLSIJUXERO-AEFFLSMTSA-N 1 0 315.417 2.262 10 0 DEAERO CC(=O)CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)[C@@H]2C)cc1 ZINC000293532189 403497490 /nfs/dbraw/zinc/49/74/90/403497490.db2.gz XEIWVAPEKSOPSX-JLJPHGGASA-N 1 0 305.418 2.288 10 0 DEAERO Brc1cc2c(s1)CC[C@H]2[NH2+]CCn1cncn1 ZINC000293893733 403592234 /nfs/dbraw/zinc/59/22/34/403592234.db2.gz WBSPAKXEQLEGOU-SECBINFHSA-N 1 0 313.224 2.379 10 0 DEAERO CNC(=O)c1cccnc1NCCCC[NH+]1CCC(C)CC1 ZINC000301357953 403619915 /nfs/dbraw/zinc/61/99/15/403619915.db2.gz LEWOQBHNUZASGF-UHFFFAOYSA-N 1 0 304.438 2.365 10 0 DEAERO O=C(N[C@H]1CCc2[nH]cnc2C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000332850215 403626483 /nfs/dbraw/zinc/62/64/83/403626483.db2.gz KHLMQIOBTBAAQG-ZJUUUORDSA-N 1 0 316.327 2.251 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ncc(C2CCOCC2)s1 ZINC000333096257 403665279 /nfs/dbraw/zinc/66/52/79/403665279.db2.gz AGECPFRODUQJPI-PWSUYJOCSA-N 1 0 324.450 2.157 10 0 DEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1[C@@H]3CCO[C@@H]3C1(C)C)CC2 ZINC000333257878 403709365 /nfs/dbraw/zinc/70/93/65/403709365.db2.gz FQWKPDQEIWXSKI-DHMWGJHJSA-N 1 0 304.438 2.119 10 0 DEAERO Cc1cnc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000333147575 403678022 /nfs/dbraw/zinc/67/80/22/403678022.db2.gz MBAFJZKGYZTZPE-CHWSQXEVSA-N 1 0 324.450 2.202 10 0 DEAERO CC[C@@H]1CN(c2nc(C)nc3c2CCCC3)CC[N@@H+]1CCOC ZINC000302056445 403706492 /nfs/dbraw/zinc/70/64/92/403706492.db2.gz QRSXNBHKTMWDGU-OAHLLOKOSA-N 1 0 318.465 2.211 10 0 DEAERO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)C2(C)CC2)CC1 ZINC000333269006 403712221 /nfs/dbraw/zinc/71/22/21/403712221.db2.gz CDQKLNRGCKNSSR-UHFFFAOYSA-N 1 0 323.462 2.123 10 0 DEAERO O=C(Nc1cc2c(cc1Cl)OCO2)N1CCC2(CC[NH2+]2)CC1 ZINC000333277715 403714317 /nfs/dbraw/zinc/71/43/17/403714317.db2.gz LSZDFQIWIRZXAW-UHFFFAOYSA-N 1 0 323.780 2.429 10 0 DEAERO c1cncc(-c2nc3c(c(N4CCC5(CC[NH2+]5)CC4)n2)CCC3)c1 ZINC000333348661 403730497 /nfs/dbraw/zinc/73/04/97/403730497.db2.gz ZWZZKWLJCCYJQP-UHFFFAOYSA-N 1 0 321.428 2.360 10 0 DEAERO O=C(Nc1ncc(C2CCOCC2)s1)N[C@H]1CCCC[NH2+]C1 ZINC000333368862 403735453 /nfs/dbraw/zinc/73/54/53/403735453.db2.gz URRZKFXGUPEVMC-LBPRGKRZSA-N 1 0 324.450 2.301 10 0 DEAERO Cc1csc([C@@H](NC(=O)N[C@H]2CCCC[NH2+]C2)C2CC2)n1 ZINC000333388193 403740228 /nfs/dbraw/zinc/74/02/28/403740228.db2.gz OKBYMTNXLPTVAQ-STQMWFEESA-N 1 0 308.451 2.344 10 0 DEAERO [NH3+]Cc1cccnc1NC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000333390109 403741182 /nfs/dbraw/zinc/74/11/82/403741182.db2.gz XHWPCJJYDBTSLG-OAHLLOKOSA-N 1 0 318.421 2.353 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]CCN2CCC[C@H](C)C2)C12CCOCC2 ZINC000186247170 286386566 /nfs/dbraw/zinc/38/65/66/286386566.db2.gz WYGIOLCFJLXVCJ-YESZJQIVSA-N 1 0 310.482 2.282 10 0 DEAERO C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333575861 403783713 /nfs/dbraw/zinc/78/37/13/403783713.db2.gz MZLUIEXSDGBYRY-BBRMVZONSA-N 1 0 315.417 2.294 10 0 DEAERO CC(C)c1noc(-c2ccnc(N3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)n1 ZINC000333874324 403895323 /nfs/dbraw/zinc/89/53/23/403895323.db2.gz CHDHSJSGICXGRJ-KBPBESRZSA-N 1 0 313.405 2.443 10 0 DEAERO CS(=O)(=O)N(CC[N@@H+]1CCC12CCC2)Cc1ccccc1 ZINC000361839004 403898832 /nfs/dbraw/zinc/89/88/32/403898832.db2.gz WSCQFWLNVUKTKU-UHFFFAOYSA-N 1 0 308.447 2.077 10 0 DEAERO CN(C[C@H]1OCCc2ccccc21)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333777345 403857291 /nfs/dbraw/zinc/85/72/91/403857291.db2.gz DCXBZOXKVHJMLU-DOTOQJQBSA-N 1 0 317.433 2.084 10 0 DEAERO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)n1 ZINC000333808022 403868436 /nfs/dbraw/zinc/86/84/36/403868436.db2.gz FUVCYNKRNKLCOY-VHDGCEQUSA-N 1 0 305.422 2.425 10 0 DEAERO CCc1c(C(=O)N2CCC3(CC[NH2+]3)CC2)cnn1C(C)(C)C ZINC000333840791 403880438 /nfs/dbraw/zinc/88/04/38/403880438.db2.gz OFSHACHBGDOGDT-UHFFFAOYSA-N 1 0 304.438 2.169 10 0 DEAERO Cc1nc(N)nc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309931412 403964210 /nfs/dbraw/zinc/96/42/10/403964210.db2.gz WHXOIUKWTVCZEE-SWLSCSKDSA-N 1 0 312.421 2.085 10 0 DEAERO CNC(=O)[C@H]([NH2+]Cc1sccc1Br)C(C)C ZINC000336772051 403916922 /nfs/dbraw/zinc/91/69/22/403916922.db2.gz VBNSJZVHOKQOFG-SNVBAGLBSA-N 1 0 305.241 2.371 10 0 DEAERO COC(=O)CC1(CC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000369049224 403947739 /nfs/dbraw/zinc/94/77/39/403947739.db2.gz LZQYNDTVPYASPX-HNNXBMFYSA-N 1 0 322.449 2.197 10 0 DEAERO COCCSCCC[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000362928117 404009528 /nfs/dbraw/zinc/00/95/28/404009528.db2.gz OVZMDQJVZXTNAJ-UHFFFAOYSA-N 1 0 314.495 2.091 10 0 DEAERO CN1C(=O)CC[C@@H](NCc2cc(Cl)sc2Cl)C1=O ZINC000312614488 403972394 /nfs/dbraw/zinc/97/23/94/403972394.db2.gz NDMWXDPGVGENIA-SSDOTTSWSA-N 1 0 307.202 2.292 10 0 DEAERO COc1cncc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000290134212 404055992 /nfs/dbraw/zinc/05/59/92/404055992.db2.gz ZPLVEZDZQSSRCV-AWEZNQCLSA-N 1 0 313.405 2.396 10 0 DEAERO O=C1c2ccccc2C(=O)N1CC[NH2+]CCc1ccc(F)cc1 ZINC000352132015 404164609 /nfs/dbraw/zinc/16/46/09/404164609.db2.gz XWGXCNMTIUPWJP-UHFFFAOYSA-N 1 0 312.344 2.254 10 0 DEAERO O[C@@H](COc1ccccc1F)C[N@@H+]1CCCC12CCOCC2 ZINC000369773036 404224338 /nfs/dbraw/zinc/22/43/38/404224338.db2.gz OOWWGCMBTRNSCM-CQSZACIVSA-N 1 0 309.381 2.210 10 0 DEAERO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)C1 ZINC000329185767 404258515 /nfs/dbraw/zinc/25/85/15/404258515.db2.gz POUPHKKALOMDNV-QRTARXTBSA-N 1 0 304.438 2.400 10 0 DEAERO c1nn2ccccc2c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000369963407 404285360 /nfs/dbraw/zinc/28/53/60/404285360.db2.gz FIUSUSLTAACUCU-HNNXBMFYSA-N 1 0 315.417 2.352 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCC([C@H](C)O)CC1)CC2 ZINC000364541912 404440864 /nfs/dbraw/zinc/44/08/64/404440864.db2.gz YPZXETHBQOUGBJ-JSGCOSHPSA-N 1 0 319.449 2.257 10 0 DEAERO Cn1cc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c(C(C)(C)C)n1 ZINC000373494039 404546772 /nfs/dbraw/zinc/54/67/72/404546772.db2.gz BHUQZAICAQIIQN-GOSISDBHSA-N 1 0 321.465 2.488 10 0 DEAERO C[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@]2(CCCOC2)O1 ZINC000373804979 404596558 /nfs/dbraw/zinc/59/65/58/404596558.db2.gz MRRCKJMSJIETRK-PBHICJAKSA-N 1 0 309.381 2.474 10 0 DEAERO c1nnn(Cc2ccccc2)c1CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000291981523 404612700 /nfs/dbraw/zinc/61/27/00/404612700.db2.gz RXRAOANLGVQHSE-ZWKOTPCHSA-N 1 0 311.433 2.043 10 0 DEAERO COCCCC[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000117880444 292319605 /nfs/dbraw/zinc/31/96/05/292319605.db2.gz LLOWEIHGWWLSOF-OAHLLOKOSA-N 1 0 312.479 2.480 10 0 DEAERO c1nc(-c2ccccn2)sc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414777967 404732394 /nfs/dbraw/zinc/73/23/94/404732394.db2.gz ISDCIXIWLMEZIM-SWLSCSKDSA-N 1 0 300.431 2.389 10 0 DEAERO O=C1[C@H]([NH2+]Cc2ccc3occc3c2)CCN1C1CCOCC1 ZINC000375742965 404738058 /nfs/dbraw/zinc/73/80/58/404738058.db2.gz JOHCOOKJWNKZTQ-MRXNPFEDSA-N 1 0 314.385 2.302 10 0 DEAERO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000353089473 404740330 /nfs/dbraw/zinc/74/03/30/404740330.db2.gz MRRSPJSEVINTPA-VMEIHUARSA-N 1 0 322.474 2.494 10 0 DEAERO CCc1nn(C)c(CC)c1C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000375679215 404727781 /nfs/dbraw/zinc/72/77/81/404727781.db2.gz ODYFQFHNRRIWPU-GOSISDBHSA-N 1 0 321.465 2.315 10 0 DEAERO Cc1cc(CC[NH2+]C2CCN(Cc3ccccn3)CC2)on1 ZINC000376111152 404804408 /nfs/dbraw/zinc/80/44/08/404804408.db2.gz FXBSBRKKDGAEOY-UHFFFAOYSA-N 1 0 300.406 2.175 10 0 DEAERO CCOC(=O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000361037261 404889101 /nfs/dbraw/zinc/88/91/01/404889101.db2.gz VPDIZOVAECBLKO-SJORKVTESA-N 1 0 302.418 2.288 10 0 DEAERO CC[C@H]([NH2+][C@H](C)c1cncc(Br)c1)C(=O)NC ZINC000568276878 292328867 /nfs/dbraw/zinc/32/88/67/292328867.db2.gz QTCCKUSBTWVHFJ-KCJUWKMLSA-N 1 0 300.200 2.019 10 0 DEAERO CCO[C@@H]1C[C@@](NC[C@H](O)CCC(C)C)(C(=O)OC)C1(C)C ZINC000361319919 405021049 /nfs/dbraw/zinc/02/10/49/405021049.db2.gz FNPIOCKOJCYXII-CKEIUWERSA-N 1 0 315.454 2.120 10 0 DEAERO C/C=C/C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000385081483 405034341 /nfs/dbraw/zinc/03/43/41/405034341.db2.gz WULSDYBXFVLIOZ-JDGPPOGSSA-N 1 0 300.196 2.355 10 0 DEAERO CC(C)C[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361209613 404974003 /nfs/dbraw/zinc/97/40/03/404974003.db2.gz HFLCSJJNTAWFNY-QFBILLFUSA-N 1 0 318.461 2.422 10 0 DEAERO Cc1cc([C@@H](C)NC(=O)NCCNc2cc[nH+]cc2)ccc1F ZINC000435519761 404987626 /nfs/dbraw/zinc/98/76/26/404987626.db2.gz OETRZCZGMWXXNO-CYBMUJFWSA-N 1 0 316.380 2.423 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000361245500 404990793 /nfs/dbraw/zinc/99/07/93/404990793.db2.gz GLXSPFDKGIDWDV-HNNXBMFYSA-N 1 0 319.453 2.208 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2Br)C1 ZINC000389872986 405041052 /nfs/dbraw/zinc/04/10/52/405041052.db2.gz AZEZETMCMMGMHC-VIFPVBQESA-N 1 0 315.186 2.412 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2csc(Br)c2)C1 ZINC000389866502 405041278 /nfs/dbraw/zinc/04/12/78/405041278.db2.gz YUCSLTRKLBZSAW-SECBINFHSA-N 1 0 303.225 2.335 10 0 DEAERO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H]2COCC2(C)C)c1 ZINC000451815540 405050197 /nfs/dbraw/zinc/05/01/97/405050197.db2.gz ZYFFWARBVQLQOF-IAQYHMDHSA-N 1 0 304.390 2.231 10 0 DEAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H](O)C2(C)C)cc1 ZINC000361426067 405070315 /nfs/dbraw/zinc/07/03/15/405070315.db2.gz LBOCXZVXSDJELO-OAHLLOKOSA-N 1 0 304.390 2.063 10 0 DEAERO Cc1cc(-c2nnc(CN3CC[N@@H+]4CCC[C@H]4C3)o2)c(C)o1 ZINC000407950852 405074134 /nfs/dbraw/zinc/07/41/34/405074134.db2.gz IOMJCYGHUTYKQJ-ZDUSSCGKSA-N 1 0 302.378 2.226 10 0 DEAERO C[N@@H+]1CCCC12CCN(Cc1nc(-c3ccoc3)no1)CC2 ZINC000408099174 405111605 /nfs/dbraw/zinc/11/16/05/405111605.db2.gz JOLYZMDSFPHWPF-UHFFFAOYSA-N 1 0 302.378 2.390 10 0 DEAERO CCn1nccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000408111690 405114631 /nfs/dbraw/zinc/11/46/31/405114631.db2.gz GVGGRBUCHACSLX-KGLIPLIRSA-N 1 0 305.426 2.382 10 0 DEAERO c1coc(C[N@H+](CC[C@@H]2CCCCO2)CCN2CCOCC2)c1 ZINC000452053137 405143876 /nfs/dbraw/zinc/14/38/76/405143876.db2.gz XETIVTWVFKSYIF-KRWDZBQOSA-N 1 0 322.449 2.373 10 0 DEAERO Cc1oc(Br)cc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000424793725 405180887 /nfs/dbraw/zinc/18/08/87/405180887.db2.gz NCLDDNJFTAGGBW-UHFFFAOYSA-N 1 0 313.195 2.271 10 0 DEAERO C(CN1C[C@H]2CC[C@@H](C1)O2)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000453346888 405290506 /nfs/dbraw/zinc/29/05/06/405290506.db2.gz PAKLTMWWOQXQMW-UYTYNIKBSA-N 1 0 308.466 2.035 10 0 DEAERO COC1([C@H](C)[NH2+]C[C@H](c2ccccc2)N(C)C)CCOCC1 ZINC000453054298 405279907 /nfs/dbraw/zinc/27/99/07/405279907.db2.gz HIIPEZBJMQNRHZ-DOTOQJQBSA-N 1 0 306.450 2.463 10 0 DEAERO c1cc(-c2noc(CN3CC[NH2+]C[C@@H]3c3ccccc3)n2)co1 ZINC000420415262 405347482 /nfs/dbraw/zinc/34/74/82/405347482.db2.gz UYLXRVGRMBGAQR-OAHLLOKOSA-N 1 0 310.357 2.476 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(I)cn1 ZINC000420234054 405298916 /nfs/dbraw/zinc/29/89/16/405298916.db2.gz GNSPVGRZXUYPLG-WCBMZHEXSA-N 1 0 317.174 2.096 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC000426494577 405363805 /nfs/dbraw/zinc/36/38/05/405363805.db2.gz GJXYUUAWFUYAGA-UHFFFAOYSA-N 1 0 319.449 2.329 10 0 DEAERO C[NH2+]CCOCCNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000638582147 405556957 /nfs/dbraw/zinc/55/69/57/405556957.db2.gz ZCWIULDNNQXVOM-UHFFFAOYSA-N 1 0 309.168 2.098 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCC[C@@H]1CC=CCC1 ZINC000638597809 405564330 /nfs/dbraw/zinc/56/43/30/405564330.db2.gz BEQWZQHHQQPHPL-SJLPKXTDSA-N 1 0 315.461 2.308 10 0 DEAERO [NH3+]C1(CNC(=O)CSc2ccccc2Cl)CCOCC1 ZINC000638538728 405535808 /nfs/dbraw/zinc/53/58/08/405535808.db2.gz WHHSLXXUYNNFKX-UHFFFAOYSA-N 1 0 314.838 2.056 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(Br)c(F)c1 ZINC000638570074 405551727 /nfs/dbraw/zinc/55/17/27/405551727.db2.gz NJXZMXMHZPVGOI-NWDGAFQWSA-N 1 0 315.186 2.459 10 0 DEAERO COc1nsc(C[NH2+][C@@H](CCO)C(C)C)c1Br ZINC000638689278 405618519 /nfs/dbraw/zinc/61/85/19/405618519.db2.gz KHJHMIILYTZRDT-QMMMGPOBSA-N 1 0 323.256 2.411 10 0 DEAERO COc1nsc(C[NH2+]C[C@H](C)CCO)c1Br ZINC000638700259 405626696 /nfs/dbraw/zinc/62/66/96/405626696.db2.gz SALUPGVBRYCUQS-SSDOTTSWSA-N 1 0 309.229 2.022 10 0 DEAERO COc1nsc(C[NH2+]C[C@@](C)(O)C(C)C)c1Br ZINC000638626416 405579605 /nfs/dbraw/zinc/57/96/05/405579605.db2.gz LYVQZSLZAOCLTI-LLVKDONJSA-N 1 0 323.256 2.411 10 0 DEAERO [NH3+]CC1(NC(=O)CSc2ccccc2Cl)CCOCC1 ZINC000638635703 405584844 /nfs/dbraw/zinc/58/48/44/405584844.db2.gz FPLGGCBVMWSDHW-UHFFFAOYSA-N 1 0 314.838 2.056 10 0 DEAERO c1ccc(C[C@H](CN2CCOCC2)[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000638638626 405586702 /nfs/dbraw/zinc/58/67/02/405586702.db2.gz IORAZAOMIKSWHB-RTBURBONSA-N 1 0 318.461 2.089 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)NC[C@@H](c1ccccc1)C1CC1 ZINC000458792688 405596120 /nfs/dbraw/zinc/59/61/20/405596120.db2.gz LXFHYXFCBPMYNI-SFHVURJKSA-N 1 0 324.428 2.408 10 0 DEAERO [NH3+]CCCOCCNC(=O)Cc1c(Cl)cccc1Cl ZINC000638657377 405599676 /nfs/dbraw/zinc/59/96/76/405599676.db2.gz MZJKOERPTRQBJV-UHFFFAOYSA-N 1 0 305.205 2.018 10 0 DEAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(Br)cc1F ZINC000638771809 405660404 /nfs/dbraw/zinc/66/04/04/405660404.db2.gz RYFMUZNRVCUGHM-WRWORJQWSA-N 1 0 301.159 2.068 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CCCC12CC2 ZINC000638794583 405674134 /nfs/dbraw/zinc/67/41/34/405674134.db2.gz FBDWWKFWEGLGTC-DLBZAZTESA-N 1 0 315.461 2.142 10 0 DEAERO COc1nsc(C[NH2+]C(C)(C)[C@H](C)O)c1Br ZINC000638818202 405690887 /nfs/dbraw/zinc/69/08/87/405690887.db2.gz MEWGAAOOKFIKLJ-LURJTMIESA-N 1 0 309.229 2.163 10 0 DEAERO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCC[C@H]2OC)CC1 ZINC000459042431 405711548 /nfs/dbraw/zinc/71/15/48/405711548.db2.gz HXOYPTGELXDAIN-HZPDHXFCSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@@H]1CN(C(=O)c2c(F)cccc2Br)C[C@@H]1C[NH3+] ZINC000638893311 405744832 /nfs/dbraw/zinc/74/48/32/405744832.db2.gz YMMRGDGIKOUHCB-BDAKNGLRSA-N 1 0 315.186 2.255 10 0 DEAERO Cc1ccc(Br)cc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638914468 405756952 /nfs/dbraw/zinc/75/69/52/405756952.db2.gz OWDUTUBIFAYUAL-QWRGUYRKSA-N 1 0 311.223 2.424 10 0 DEAERO CC1=CC[C@@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000559918139 405759524 /nfs/dbraw/zinc/75/95/24/405759524.db2.gz RTWRCMMZMHUSLC-QGZVFWFLSA-N 1 0 305.466 2.019 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000457508457 405875011 /nfs/dbraw/zinc/87/50/11/405875011.db2.gz QJYYSWPGJXTJNM-UHFFFAOYSA-N 1 0 318.417 2.243 10 0 DEAERO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CCC3)C2=O)n(C)n1 ZINC000560941455 405879517 /nfs/dbraw/zinc/87/95/17/405879517.db2.gz BBENSZJCDAGMEL-KFWWJZLASA-N 1 0 302.422 2.002 10 0 DEAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457525212 405881940 /nfs/dbraw/zinc/88/19/40/405881940.db2.gz OLRLQHLWQCUKEE-ZDUSSCGKSA-N 1 0 306.406 2.242 10 0 DEAERO O=S(=O)(NCC[NH2+][C@@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000584125708 405831573 /nfs/dbraw/zinc/83/15/73/405831573.db2.gz XVAUMGJQOBYWLD-HZPDHXFCSA-N 1 0 308.447 2.133 10 0 DEAERO CCn1nncc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000459292528 405838700 /nfs/dbraw/zinc/83/87/00/405838700.db2.gz NLJHFSDULQJROT-UHFFFAOYSA-N 1 0 317.412 2.145 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457625043 405924164 /nfs/dbraw/zinc/92/41/64/405924164.db2.gz XVLJNCCUZQGHJX-UHFFFAOYSA-N 1 0 306.406 2.243 10 0 DEAERO c1cn(C[C@H]2CC[N@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)nn1 ZINC000639305290 406033263 /nfs/dbraw/zinc/03/32/63/406033263.db2.gz OKDZXIMJOZOSSD-IRXDYDNUSA-N 1 0 311.433 2.127 10 0 DEAERO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2c(Br)cnn2C)C1 ZINC000459640117 405995011 /nfs/dbraw/zinc/99/50/11/405995011.db2.gz WQXGEJNWXQBJBI-AOOOYVTPSA-N 1 0 302.216 2.228 10 0 DEAERO COc1nsc(C[NH2+]C[C@H](O)C2CCC2)c1Br ZINC000639239939 405995951 /nfs/dbraw/zinc/99/59/51/405995951.db2.gz IIMPZTOBHLUODV-QMMMGPOBSA-N 1 0 321.240 2.165 10 0 DEAERO COC1CCC([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000459672879 406001742 /nfs/dbraw/zinc/00/17/42/406001742.db2.gz HAHIFICFAIZNLZ-UHFFFAOYSA-N 1 0 302.216 2.230 10 0 DEAERO c1[nH]nc2c1CN(Cc1nnn(-c3ccccc3)c1C1CC1)CC2 ZINC000639344127 406057578 /nfs/dbraw/zinc/05/75/78/406057578.db2.gz RQWIJKIQADPPEA-UHFFFAOYSA-N 1 0 320.400 2.426 10 0 DEAERO CC(=O)N(c1ccc(NC(=O)C[N@H+]2CC[C@H](C)C2)cc1)C1CC1 ZINC000516783369 406105369 /nfs/dbraw/zinc/10/53/69/406105369.db2.gz GGXMWOMOYYSMIU-ZDUSSCGKSA-N 1 0 315.417 2.482 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](COC)Cc1ccccc1 ZINC000471696713 406110195 /nfs/dbraw/zinc/11/01/95/406110195.db2.gz JJLYFOCVPICICW-IRXDYDNUSA-N 1 0 304.434 2.235 10 0 DEAERO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000471824029 406122355 /nfs/dbraw/zinc/12/23/55/406122355.db2.gz ZOYJGSDWVYCROT-RBSFLKMASA-N 1 0 320.433 2.490 10 0 DEAERO c1nc2n(n1)[C@H](C[N@H+]1CCC[C@@H]1Cn1cnc3ccccc31)CC2 ZINC000639563877 406148022 /nfs/dbraw/zinc/14/80/22/406148022.db2.gz CFXCPFBXHBAWIV-CABCVRRESA-N 1 0 322.416 2.280 10 0 DEAERO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(C)CCC[NH+](C)C)c1 ZINC000568155376 406198183 /nfs/dbraw/zinc/19/81/83/406198183.db2.gz CAFRWPVVFSNOKS-HOCLYGCPSA-N 1 0 320.433 2.217 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000487533372 406242233 /nfs/dbraw/zinc/24/22/33/406242233.db2.gz DRCSWRCARUTESH-GXFFZTMASA-N 1 0 314.227 2.230 10 0 DEAERO COc1cc([C@@H]2[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)ccc1O ZINC000536952611 406281173 /nfs/dbraw/zinc/28/11/73/406281173.db2.gz DLNXXEBQTYULFU-SMDDNHRTSA-N 1 0 308.378 2.410 10 0 DEAERO CC1=CC[N@H+](CCNc2cc(C(C)C)nc3ncnn32)CC1 ZINC000547285415 406395026 /nfs/dbraw/zinc/39/50/26/406395026.db2.gz UKNSXNRIGYNOAV-UHFFFAOYSA-N 1 0 300.410 2.312 10 0 DEAERO [NH3+][C@H]1CC=C(C(=O)NCCc2ccc(Br)s2)C1 ZINC000637900118 406469092 /nfs/dbraw/zinc/46/90/92/406469092.db2.gz RZIYPOKKRJFDAA-VIFPVBQESA-N 1 0 315.236 2.217 10 0 DEAERO CC(C)[C@@H]1CCCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637920613 406478235 /nfs/dbraw/zinc/47/82/35/406478235.db2.gz OGQWLDKVGBVGHR-IRXDYDNUSA-N 1 0 303.450 2.093 10 0 DEAERO C[C@@H]1CCCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000637957177 406494646 /nfs/dbraw/zinc/49/46/46/406494646.db2.gz DKPDPDWLZIXCNE-NVXWUHKLSA-N 1 0 303.450 2.094 10 0 DEAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2(C)C)c2ccccc21 ZINC000571261065 406497712 /nfs/dbraw/zinc/49/77/12/406497712.db2.gz SQKNCFRALDRFJE-HOCLYGCPSA-N 1 0 315.417 2.131 10 0 DEAERO C=Cc1ccc(CCNC(=O)N[C@H]2CCc3[nH]cnc3C2)cc1 ZINC000570869719 406449503 /nfs/dbraw/zinc/44/95/03/406449503.db2.gz FDHTWDYFOWETBQ-HNNXBMFYSA-N 1 0 310.401 2.452 10 0 DEAERO CC(C)CC[C@@H](C)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637873534 406456761 /nfs/dbraw/zinc/45/67/61/406456761.db2.gz PCMHLDDPPSNJNF-WBVHZDCISA-N 1 0 305.466 2.387 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC(C)(C)CC1 ZINC000637980190 406507568 /nfs/dbraw/zinc/50/75/68/406507568.db2.gz WEXFOQAVZACMNX-MRXNPFEDSA-N 1 0 303.450 2.094 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000525821260 406507756 /nfs/dbraw/zinc/50/77/56/406507756.db2.gz XJKIFKZOCPTKTN-ZDUSSCGKSA-N 1 0 315.421 2.155 10 0 DEAERO CC1(C)CCC[C@@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000572424251 406666469 /nfs/dbraw/zinc/66/64/69/406666469.db2.gz BBMMVVPEJBGPRE-UONOGXRCSA-N 1 0 302.484 2.216 10 0 DEAERO c1csc([C@@H](C[NH2+]CCC[C@H]2CCO2)N2CCOCC2)c1 ZINC000638295508 406678619 /nfs/dbraw/zinc/67/86/19/406678619.db2.gz YJZGGKYRHTUZRK-LSDHHAIUSA-N 1 0 310.463 2.280 10 0 DEAERO c1ccc([C@H](CN2CCOCC2)[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000638312472 406691878 /nfs/dbraw/zinc/69/18/78/406691878.db2.gz GQBOTUGWIPUTPP-MSOLQXFVSA-N 1 0 304.434 2.219 10 0 DEAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000552254108 406699620 /nfs/dbraw/zinc/69/96/20/406699620.db2.gz MHIKUCADSPTKAX-NJAFHUGGSA-N 1 0 323.408 2.172 10 0 DEAERO c1c(C[NH2+]CCc2nnc3n2CCCCC3)onc1C1CC1 ZINC000638341266 406710348 /nfs/dbraw/zinc/71/03/48/406710348.db2.gz AQVPCMGMLOBJKE-UHFFFAOYSA-N 1 0 301.394 2.202 10 0 DEAERO [NH3+]C1(Cc2ccc(I)cc2)CSC1 ZINC000575548100 406812146 /nfs/dbraw/zinc/81/21/46/406812146.db2.gz BCPVOLZMFHKEMV-UHFFFAOYSA-N 1 0 305.184 2.278 10 0 DEAERO C[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000643619839 407017966 /nfs/dbraw/zinc/01/79/66/407017966.db2.gz HRXVOBKNXBSCSB-KOLCDFICSA-N 1 0 317.216 2.407 10 0 DEAERO C[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1ccc(Cl)cc1Cl ZINC000643619216 407018297 /nfs/dbraw/zinc/01/82/97/407018297.db2.gz PTOZSDXONZXTQU-UWVGGRQHSA-N 1 0 317.216 2.407 10 0 DEAERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnn2c1CCCC2 ZINC000246324998 286851074 /nfs/dbraw/zinc/85/10/74/286851074.db2.gz SASZADHGQWRDMT-KFWWJZLASA-N 1 0 318.465 2.316 10 0 DEAERO CC[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C[C@H](C)O1 ZINC000124211180 287141759 /nfs/dbraw/zinc/14/17/59/287141759.db2.gz LKQLMYXVSFDLGV-ARFHVFGLSA-N 1 0 311.470 2.316 10 0 DEAERO CCCN(CCC[NH3+])c1nccn2nc(C(F)(F)F)cc12 ZINC000128924479 196004544 /nfs/dbraw/zinc/00/45/44/196004544.db2.gz TXTRPBLXOCDGSO-UHFFFAOYSA-N 1 0 301.316 2.313 10 0 DEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)[C@H](OC)C1CC1 ZINC000129201233 196028675 /nfs/dbraw/zinc/02/86/75/196028675.db2.gz ZHMYCVTYCODFJI-GXFFZTMASA-N 1 0 316.243 2.047 10 0 DEAERO Cc1noc(COc2ccc(Br)c(CC[NH3+])c2)n1 ZINC000129219010 196030351 /nfs/dbraw/zinc/03/03/51/196030351.db2.gz VWXUYHUJOBDTJE-UHFFFAOYSA-N 1 0 312.167 2.221 10 0 DEAERO COC(=O)[C@@H](C)Oc1ccc(Br)c(C[C@@H](C)[NH3+])c1 ZINC000129362491 196042063 /nfs/dbraw/zinc/04/20/63/196042063.db2.gz BSJSYVKKIKMCNR-RKDXNWHRSA-N 1 0 316.195 2.279 10 0 DEAERO CCCn1cc(Br)cc1C(=O)NC[C@@H](C)C[NH2+]C ZINC000129432388 196047752 /nfs/dbraw/zinc/04/77/52/196047752.db2.gz ALBNSGARTDUAHQ-JTQLQIEISA-N 1 0 316.243 2.246 10 0 DEAERO [NH3+][C@H](CCN1CCC(OCCO)CC1)c1ccccc1Cl ZINC000129423077 196046956 /nfs/dbraw/zinc/04/69/56/196046956.db2.gz QLGZXPWZCFNGIC-MRXNPFEDSA-N 1 0 312.841 2.203 10 0 DEAERO CCO[C@@H](C[NH3+])COc1ccc(OC)cc1Br ZINC000129524282 196055217 /nfs/dbraw/zinc/05/52/17/196055217.db2.gz ZYXNDUFSPDTANO-JTQLQIEISA-N 1 0 304.184 2.200 10 0 DEAERO COc1ccc(Oc2cc[nH+]c(NN)n2)c(Br)c1 ZINC000129683975 196067769 /nfs/dbraw/zinc/06/77/69/196067769.db2.gz ZAQAOMXAJZTUJK-UHFFFAOYSA-N 1 0 311.139 2.326 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)c1c[nH+]ccc1N ZINC000129789207 196076047 /nfs/dbraw/zinc/07/60/47/196076047.db2.gz RVZQQBLBWJMJLM-UHFFFAOYSA-N 1 0 307.151 2.382 10 0 DEAERO CCO[C@H]([C@@H]([NH3+])Cc1c(Br)c(C)nn1C)C1CC1 ZINC000129841040 196079931 /nfs/dbraw/zinc/07/99/31/196079931.db2.gz ASMQQOMJSSAZGH-GWCFXTLKSA-N 1 0 316.243 2.176 10 0 DEAERO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](N)c2cccs2)CC1 ZINC000130521858 196087626 /nfs/dbraw/zinc/08/76/26/196087626.db2.gz XPHOCTTVCSYYCG-OAHLLOKOSA-N 1 0 309.479 2.327 10 0 DEAERO [NH3+]Cc1ccccc1S(=O)(=O)NCCCCC(F)(F)F ZINC000130553979 196090460 /nfs/dbraw/zinc/09/04/60/196090460.db2.gz GBPQTOKEPYEUOY-UHFFFAOYSA-N 1 0 310.341 2.156 10 0 DEAERO [NH3+][C@@H]1CCN(c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000130599031 196094652 /nfs/dbraw/zinc/09/46/52/196094652.db2.gz AHSDXIUUZOEFID-LLVKDONJSA-N 1 0 307.195 2.377 10 0 DEAERO [NH3+]C1CCN([C@H]2CCN(c3nc4ccccc4s3)C2)CC1 ZINC000130847121 196115686 /nfs/dbraw/zinc/11/56/86/196115686.db2.gz LVGAWECRECICNN-ZDUSSCGKSA-N 1 0 302.447 2.298 10 0 DEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)c1ccc(Br)cn1 ZINC000130864392 196117631 /nfs/dbraw/zinc/11/76/31/196117631.db2.gz CJGFKDRHMIKYTD-ZDUSSCGKSA-N 1 0 309.211 2.471 10 0 DEAERO CCc1nn([C@H]2CCS(=O)(=O)C2)c(CC)c1[C@H](CC)[NH2+]C ZINC000131085033 196138540 /nfs/dbraw/zinc/13/85/40/196138540.db2.gz WOANRUYZTDRROE-RYUDHWBXSA-N 1 0 313.467 2.038 10 0 DEAERO [NH3+]CCCc1ccc(S(=O)(=O)NCCCC(F)(F)F)cc1 ZINC000131214814 196150174 /nfs/dbraw/zinc/15/01/74/196150174.db2.gz FPWUPPOKLLUTHO-UHFFFAOYSA-N 1 0 324.368 2.199 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)CCSC)cc1 ZINC000131269668 196156741 /nfs/dbraw/zinc/15/67/41/196156741.db2.gz RURNHGOMCJIMPU-LBPRGKRZSA-N 1 0 316.492 2.216 10 0 DEAERO CN(C)c1nc(CN2CCC[C@H]([NH+]3CCCC3)CC2)ns1 ZINC000131287933 196157413 /nfs/dbraw/zinc/15/74/13/196157413.db2.gz IMBGILGWPAKXGC-ZDUSSCGKSA-N 1 0 309.483 2.054 10 0 DEAERO C[C@@H]1N[C@H](c2ccsc2)N([C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000131418749 196167023 /nfs/dbraw/zinc/16/70/23/196167023.db2.gz HYYPVYGVRMWCSR-MYPMTAMASA-N 1 0 305.447 2.194 10 0 DEAERO CCc1nn(CCOCC(F)(F)F)c(CC)c1C[C@@H](C)[NH3+] ZINC000131447161 196169823 /nfs/dbraw/zinc/16/98/23/196169823.db2.gz NZVWEURIOJCFJT-SNVBAGLBSA-N 1 0 307.360 2.477 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(C(=O)C[C@@H](C)c2ccccc2C)CC1 ZINC000131539426 196177829 /nfs/dbraw/zinc/17/78/29/196177829.db2.gz LMJLWVPQMFEASG-SJORKVTESA-N 1 0 318.461 2.404 10 0 DEAERO CCCn1ncc(Br)c1[C@@](C)(O)[C@H]1CCC[NH2+]C1 ZINC000131539711 196178956 /nfs/dbraw/zinc/17/89/56/196178956.db2.gz KBDLLXUUOFEQNM-GWCFXTLKSA-N 1 0 316.243 2.263 10 0 DEAERO [NH3+]CC1(CNS(=O)(=O)CCc2ccccc2)CCCCC1 ZINC000131566396 196180465 /nfs/dbraw/zinc/18/04/65/196180465.db2.gz NBMFWHZMBCIUME-UHFFFAOYSA-N 1 0 310.463 2.058 10 0 DEAERO CC[NH2+][C@H](c1ncccc1F)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000131662274 196188583 /nfs/dbraw/zinc/18/85/83/196188583.db2.gz WDINFXUSUMSTHA-DYEKYZERSA-N 1 0 314.426 2.475 10 0 DEAERO C[NH2+]Cc1ccc(F)c(S(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)c1 ZINC000131765383 196197492 /nfs/dbraw/zinc/19/74/92/196197492.db2.gz ZIXGVJXDEZBOEQ-RYUDHWBXSA-N 1 0 314.426 2.212 10 0 DEAERO C[C@H]1CC[C@@](O)(c2c(Br)cnn2CC[NH+](C)C)C1 ZINC000132360627 196248612 /nfs/dbraw/zinc/24/86/12/196248612.db2.gz ZKBOTSOLAFIEMT-GWCFXTLKSA-N 1 0 316.243 2.215 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC000132490959 196259212 /nfs/dbraw/zinc/25/92/12/196259212.db2.gz MAJDSDCWGOGGCN-BONVTDFDSA-N 1 0 314.351 2.491 10 0 DEAERO CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccoc1C ZINC000132754617 196281025 /nfs/dbraw/zinc/28/10/25/196281025.db2.gz JUOKRHYEFQHLPI-UKRRQHHQSA-N 1 0 314.451 2.300 10 0 DEAERO C[C@@H]1C[NH2+]C[C@@H](COCc2ccc(F)cc2Br)O1 ZINC000132805719 196284667 /nfs/dbraw/zinc/28/46/67/196284667.db2.gz BVTQDPFCPNCNHB-SKDRFNHKSA-N 1 0 318.186 2.482 10 0 DEAERO COCc1nc(N2CCc3sccc3[C@@H]2C)cc(NN)[nH+]1 ZINC000132860527 196290964 /nfs/dbraw/zinc/29/09/64/196290964.db2.gz KEPRJSDYKHCTJU-VIFPVBQESA-N 1 0 305.407 2.094 10 0 DEAERO CCCn1ncc(Br)c1[C@@H](O)C1CC[NH2+]CC1 ZINC000132868149 196291725 /nfs/dbraw/zinc/29/17/25/196291725.db2.gz JXUMRLCUZYAGAH-LBPRGKRZSA-N 1 0 302.216 2.089 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)CCc1ccccc1 ZINC000078395881 287270846 /nfs/dbraw/zinc/27/08/46/287270846.db2.gz XHMLIGKRYOOQHE-OAHLLOKOSA-N 1 0 310.463 2.023 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000132925789 196297012 /nfs/dbraw/zinc/29/70/12/196297012.db2.gz RWQKYQDZLQZTRW-QLFBSQMISA-N 1 0 318.465 2.314 10 0 DEAERO C[C@]1(C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)CCCC[NH2+]1 ZINC000133145527 196314978 /nfs/dbraw/zinc/31/49/78/196314978.db2.gz GWLUZFJROCDQSX-OAHLLOKOSA-N 1 0 307.781 2.305 10 0 DEAERO CCC[NH2+][C@@H](c1ccc(COC)o1)[C@H]1CCCCS1(=O)=O ZINC000133170377 196318550 /nfs/dbraw/zinc/31/85/50/196318550.db2.gz QRYKTPYQMGPHMQ-CABCVRRESA-N 1 0 315.435 2.434 10 0 DEAERO CSCC[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000133218967 196321368 /nfs/dbraw/zinc/32/13/68/196321368.db2.gz QWAWBJXBADVNJD-NSHDSACASA-N 1 0 320.480 2.198 10 0 DEAERO CC[C@H](CSC)NS(=O)(=O)c1cccc([C@H](C)[NH2+]C)c1 ZINC000133238138 196323687 /nfs/dbraw/zinc/32/36/87/196323687.db2.gz RPFJBBXTCRJYIU-WCQYABFASA-N 1 0 316.492 2.387 10 0 DEAERO Cc1c(C(F)(F)F)cccc1S(=O)(=O)NCC(C)(C)[NH3+] ZINC000133256970 196325320 /nfs/dbraw/zinc/32/53/20/196325320.db2.gz JFUKFGHWOWBOLT-UHFFFAOYSA-N 1 0 310.341 2.029 10 0 DEAERO CCCn1ncc(Br)c1[C@]1(O)CCC[NH2+]CC1 ZINC000133300446 196328533 /nfs/dbraw/zinc/32/85/33/196328533.db2.gz SDDBKVZAYIWWMH-LBPRGKRZSA-N 1 0 302.216 2.017 10 0 DEAERO CCC[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(CC)s2)C1 ZINC000133305898 196329659 /nfs/dbraw/zinc/32/96/59/196329659.db2.gz FPYOJRVMGONKBL-GFCCVEGCSA-N 1 0 316.492 2.463 10 0 DEAERO C[C@H]([NH3+])CCC[C@H](C)c1nn2c(nnc2[C@@H]2CCOC2)s1 ZINC000133810371 196337116 /nfs/dbraw/zinc/33/71/16/196337116.db2.gz INPCNGWRBAIPGA-GARJFASQSA-N 1 0 309.439 2.311 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CC[C@H](NC(C)=O)C1 ZINC000133811427 196337752 /nfs/dbraw/zinc/33/77/52/196337752.db2.gz OEMHQBJJEKSPBX-HRCADAONSA-N 1 0 309.841 2.329 10 0 DEAERO Nc1cc(C(F)(F)F)ccc1SCC1(O)CC[NH2+]CC1 ZINC000133820339 196337892 /nfs/dbraw/zinc/33/78/92/196337892.db2.gz YIMJEGFTVOXBSS-UHFFFAOYSA-N 1 0 306.353 2.494 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)CCC2 ZINC000133952401 196349016 /nfs/dbraw/zinc/34/90/16/196349016.db2.gz ARLAHZJULHCRIZ-GDBMZVCRSA-N 1 0 309.431 2.239 10 0 DEAERO CC[C@H](CSC)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000134258275 196375034 /nfs/dbraw/zinc/37/50/34/196375034.db2.gz VJZXMEAADPFYAW-LLVKDONJSA-N 1 0 320.480 2.198 10 0 DEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134349227 196380521 /nfs/dbraw/zinc/38/05/21/196380521.db2.gz LNVCQLVPEJREGI-UONOGXRCSA-N 1 0 304.438 2.210 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])C[C@H](C)OC)c1Br ZINC000134454320 196393215 /nfs/dbraw/zinc/39/32/15/196393215.db2.gz FXKWSAYHAXXMKQ-IUCAKERBSA-N 1 0 304.232 2.040 10 0 DEAERO CCC[C@H]1C[NH+]=C(NCc2ccc(S(C)(=O)=O)cc2)S1 ZINC000134481286 196396088 /nfs/dbraw/zinc/39/60/88/196396088.db2.gz UEFFMBCEOSRQSW-LBPRGKRZSA-N 1 0 312.460 2.451 10 0 DEAERO O=C(CC[C@@H]1CC[NH2+]C1)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000134494340 196396887 /nfs/dbraw/zinc/39/68/87/196396887.db2.gz FGUXAZFSUNOVPZ-SECBINFHSA-N 1 0 307.781 2.163 10 0 DEAERO CNC(=O)c1ccc(Cl)c(NC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000134498297 196396982 /nfs/dbraw/zinc/39/69/82/196396982.db2.gz MKAOJKXEGMXPAZ-SNVBAGLBSA-N 1 0 309.797 2.028 10 0 DEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(I)o1 ZINC000134534357 196399156 /nfs/dbraw/zinc/39/91/56/196399156.db2.gz HPLNSKADPNBFHD-APPZFPTMSA-N 1 0 307.131 2.151 10 0 DEAERO CC1CC[NH+](CC(=O)NC[C@H]2CCN(C)c3ccccc32)CC1 ZINC000134800493 196420036 /nfs/dbraw/zinc/42/00/36/196420036.db2.gz OOZMURXRDHRDOG-MRXNPFEDSA-N 1 0 315.461 2.458 10 0 DEAERO NNc1nc(N2CC[C@H]3CCCC[C@@H]32)c(Br)c[nH+]1 ZINC000134842446 196423037 /nfs/dbraw/zinc/42/30/37/196423037.db2.gz QMSQGPYDSJBQDZ-SCZZXKLOSA-N 1 0 312.215 2.294 10 0 DEAERO C[C@@H](O)CCNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000136064633 196518222 /nfs/dbraw/zinc/51/82/22/196518222.db2.gz HRNKPWHQAAPEQE-CVEARBPZSA-N 1 0 318.461 2.217 10 0 DEAERO CC(C)(C)c1cc(C(=O)NC2CCSCC2)cc(NN)[nH+]1 ZINC000136622000 196544121 /nfs/dbraw/zinc/54/41/21/196544121.db2.gz QQMDBZJCALVIQT-UHFFFAOYSA-N 1 0 308.451 2.290 10 0 DEAERO C[C@@H](Oc1cccc(Cl)c1)[C@H]([NH3+])CCCS(C)(=O)=O ZINC000137332008 196572867 /nfs/dbraw/zinc/57/28/67/196572867.db2.gz ODPZZBXILVAUBS-ZWNOBZJWSA-N 1 0 305.827 2.259 10 0 DEAERO Cc1ccc(CCC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000188628115 225025529 /nfs/dbraw/zinc/02/55/29/225025529.db2.gz VXQYQDABFSKJQJ-MRXNPFEDSA-N 1 0 318.461 2.231 10 0 DEAERO C[C@@H]1C[N@H+](CCCCCOc2ccccc2)CCN1CCO ZINC000188587870 225025913 /nfs/dbraw/zinc/02/59/13/225025913.db2.gz IPMFZFXKVAVDCF-QGZVFWFLSA-N 1 0 306.450 2.234 10 0 DEAERO C[C@@H]1C[C@H](CC(=O)N2CCN(CCO)[C@H](C)C2)CC(C)(C)C1 ZINC000188732307 225032700 /nfs/dbraw/zinc/03/27/00/225032700.db2.gz VKAIAHDYJNZIOL-BZUAXINKSA-N 1 0 310.482 2.364 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)CC2(CO)CC2)cc1C ZINC000190008720 225071682 /nfs/dbraw/zinc/07/16/82/225071682.db2.gz KXDQXSQTJUPPMC-OAHLLOKOSA-N 1 0 304.434 2.185 10 0 DEAERO Cn1cc(CN(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000261751676 225255364 /nfs/dbraw/zinc/25/53/64/225255364.db2.gz LFUXOIHGRLPANF-CQSZACIVSA-N 1 0 317.462 2.021 10 0 DEAERO Cn1ccnc1CC1CC[NH+](CC(=O)NCCC(C)(C)C)CC1 ZINC000105876646 424849293 /nfs/dbraw/zinc/84/92/93/424849293.db2.gz KPDJROHYDQGAIJ-UHFFFAOYSA-N 1 0 320.481 2.227 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000105881162 424849517 /nfs/dbraw/zinc/84/95/17/424849517.db2.gz UZTBJQLSEZCOBG-GFCCVEGCSA-N 1 0 306.797 2.462 10 0 DEAERO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177561238 424863656 /nfs/dbraw/zinc/86/36/56/424863656.db2.gz STXKJBDXMWYIQW-BPLDGKMQSA-N 1 0 315.417 2.235 10 0 DEAERO [NH3+]C1CCC(C(=O)NCc2cnn(Cc3ccccc3)c2)CC1 ZINC000390178731 424916359 /nfs/dbraw/zinc/91/63/59/424916359.db2.gz JFAHCTVHJINQLH-UHFFFAOYSA-N 1 0 312.417 2.065 10 0 DEAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccncc1Br ZINC000401447365 424923552 /nfs/dbraw/zinc/92/35/52/424923552.db2.gz DQRRWLKHPLADEF-GFCCVEGCSA-N 1 0 324.222 2.249 10 0 DEAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400214083 424923568 /nfs/dbraw/zinc/92/35/68/424923568.db2.gz WKBWIBZLYFRYRJ-BFHYXJOUSA-N 1 0 302.484 2.215 10 0 DEAERO [NH3+]CC[C@@H]1CCCN(C(=O)c2nscc2Br)C1 ZINC000404806375 424929946 /nfs/dbraw/zinc/92/99/46/424929946.db2.gz YQWJWCXMELCNDA-QMMMGPOBSA-N 1 0 318.240 2.107 10 0 DEAERO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1nscc1Br ZINC000405008129 424930561 /nfs/dbraw/zinc/93/05/61/424930561.db2.gz JRPUTYQQRJNUEN-QMMMGPOBSA-N 1 0 320.256 2.364 10 0 DEAERO CCO[C@@H]1CN(Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000405415049 424931399 /nfs/dbraw/zinc/93/13/99/424931399.db2.gz BLNMIPOHWGCIRC-BXKDBHETSA-N 1 0 319.268 2.306 10 0 DEAERO Cc1ccc(CNC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)cc1F ZINC000249567154 424887676 /nfs/dbraw/zinc/88/76/76/424887676.db2.gz NHHANRDWSKQPMP-ACJLOTCBSA-N 1 0 322.424 2.233 10 0 DEAERO CN(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000302891729 424892745 /nfs/dbraw/zinc/89/27/45/424892745.db2.gz JXOTZXZCWPRKKX-ROUUACIJSA-N 1 0 315.461 2.109 10 0 DEAERO C1CC([NH+]2CCC(Nc3nnc(C4CCOCC4)s3)CC2)C1 ZINC000562705465 424894537 /nfs/dbraw/zinc/89/45/37/424894537.db2.gz YUXLNSNXBVDMAD-UHFFFAOYSA-N 1 0 322.478 2.861 10 0 DEAERO Cc1noc(C)c1CC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000657354769 425315334 /nfs/dbraw/zinc/31/53/34/425315334.db2.gz ZNDZRVIDEPULRO-WMLDXEAASA-N 1 0 318.421 2.325 10 0 DEAERO CCN(Cc1cccs1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653060463 425392335 /nfs/dbraw/zinc/39/23/35/425392335.db2.gz FFDCFCGIMMIAQW-GHMZBOCLSA-N 1 0 306.353 2.495 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc2c(s1)CCCC2 ZINC000129521109 267432424 /nfs/dbraw/zinc/43/24/24/267432424.db2.gz QQOLLIHLEPCOTJ-CMPLNLGQSA-N 1 0 306.431 2.425 10 0 DEAERO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)CC1 ZINC000186046164 267651414 /nfs/dbraw/zinc/65/14/14/267651414.db2.gz HGEYRVGCESWZTN-RDTXWAMCSA-N 1 0 320.433 2.351 10 0 DEAERO CN(C(=O)Cc1c(F)cccc1Cl)[C@@H](C[NH3+])C(F)(F)F ZINC000662975066 425768988 /nfs/dbraw/zinc/76/89/88/425768988.db2.gz FHUJTDSWUAJUPP-JTQLQIEISA-N 1 0 312.694 2.370 10 0 DEAERO CN(C(=O)[C@H]1Cc2ccccc2S1)[C@H](C[NH3+])C(F)(F)F ZINC000662979238 425770295 /nfs/dbraw/zinc/77/02/95/425770295.db2.gz UUBXHFWZWKBDED-GHMZBOCLSA-N 1 0 304.337 2.051 10 0 DEAERO CCn1cnnc1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000228791340 268578528 /nfs/dbraw/zinc/57/85/28/268578528.db2.gz RYFATFXINFZVJO-CYBMUJFWSA-N 1 0 323.441 2.177 10 0 DEAERO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000333065857 268878788 /nfs/dbraw/zinc/87/87/88/268878788.db2.gz JCIWRDIOKJJSNQ-VQHPVUNQSA-N 1 0 324.465 2.094 10 0 DEAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000333092816 268884159 /nfs/dbraw/zinc/88/41/59/268884159.db2.gz CRAKNNOLEQYGGI-FZMZJTMJSA-N 1 0 304.394 2.356 10 0 DEAERO c1[nH]nc2c1[C@@H](c1nc(CC34CCC[NH+]3CCC4)no1)CCC2 ZINC000333892673 269001096 /nfs/dbraw/zinc/00/10/96/269001096.db2.gz XMRMEYTWFUJEHG-LBPRGKRZSA-N 1 0 313.405 2.432 10 0 DEAERO C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1csnn1 ZINC000334119082 269021444 /nfs/dbraw/zinc/02/14/44/269021444.db2.gz JSMWVLGQEUJJBE-LBPRGKRZSA-N 1 0 323.466 2.259 10 0 DEAERO O=C(C[C@H]1CCC[NH2+]C1)NCCCCOCc1ccccc1 ZINC000390751044 269098207 /nfs/dbraw/zinc/09/82/07/269098207.db2.gz SLXNXPCDLWCQNE-QGZVFWFLSA-N 1 0 304.434 2.489 10 0 DEAERO C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000299745271 273480176 /nfs/dbraw/zinc/48/01/76/273480176.db2.gz XJHOIUKKSVTBPO-IHWMJMDHSA-N 1 0 324.428 2.238 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1COc2ccccc21 ZINC000106912619 273805842 /nfs/dbraw/zinc/80/58/42/273805842.db2.gz NMKPPBGNKMSQBQ-IRXDYDNUSA-N 1 0 310.397 2.409 10 0 DEAERO COCC[NH+]1[C@@H](C)CN(c2nc(C)nc3c2CCCC3)C[C@@H]1C ZINC000302120951 274033825 /nfs/dbraw/zinc/03/38/25/274033825.db2.gz XZPUAYQNRXOKKN-KBPBESRZSA-N 1 0 318.465 2.209 10 0 DEAERO O[C@@H](C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1)CC(F)(F)F ZINC000375508701 275051982 /nfs/dbraw/zinc/05/19/82/275051982.db2.gz URRHUENDABVELC-CHWSQXEVSA-N 1 0 307.287 2.032 10 0 DEAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C(C)(C)O1 ZINC000089732586 275868826 /nfs/dbraw/zinc/86/88/26/275868826.db2.gz CFVCESOUJCNYET-KGLIPLIRSA-N 1 0 304.438 2.381 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1nc(SC)ns1 ZINC000156745702 276117456 /nfs/dbraw/zinc/11/74/56/276117456.db2.gz PTLXVOYYIHSAGN-MRVPVSSYSA-N 1 0 303.457 2.112 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C(N)=O)ccc1C ZINC000176330053 276168614 /nfs/dbraw/zinc/16/86/14/276168614.db2.gz LQTUPCBYZAUAEW-CQSZACIVSA-N 1 0 318.421 2.042 10 0 DEAERO CCC[C@H](C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1)[NH+](C)C ZINC000155134357 276282508 /nfs/dbraw/zinc/28/25/08/276282508.db2.gz ZHQQRNLRZKZYFG-CZUORRHYSA-N 1 0 315.421 2.175 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ncccn3)CC2)C12CCC2 ZINC000124697758 276344371 /nfs/dbraw/zinc/34/43/71/276344371.db2.gz XCNDUPPUNLPMOZ-HZPDHXFCSA-N 1 0 316.449 2.383 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]CCc2c(C)nn(C)c2C)C12CCOCC2 ZINC000186226841 276365437 /nfs/dbraw/zinc/36/54/37/276365437.db2.gz RRALCBBVUVVDAN-IRXDYDNUSA-N 1 0 321.465 2.143 10 0 DEAERO CCOc1ccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000246097131 276373523 /nfs/dbraw/zinc/37/35/23/276373523.db2.gz HWTLZPIRDKAXNH-YJBOKZPZSA-N 1 0 304.434 2.238 10 0 DEAERO CN(C(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1)c1nccs1 ZINC000127963986 276726194 /nfs/dbraw/zinc/72/61/94/276726194.db2.gz SHINZWWXXKGVLU-QWHCGFSZSA-N 1 0 319.434 2.076 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000178267776 276867625 /nfs/dbraw/zinc/86/76/25/276867625.db2.gz VILIUJBDGFXVFS-AOIWGVFYSA-N 1 0 318.461 2.217 10 0 DEAERO COC(=O)[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000360299691 277125652 /nfs/dbraw/zinc/12/56/52/277125652.db2.gz RTJJALPONGVYBV-HOCLYGCPSA-N 1 0 316.401 2.067 10 0 DEAERO COC1(CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCC1 ZINC000181501473 277186846 /nfs/dbraw/zinc/18/68/46/277186846.db2.gz FIMOJDPLWLTMPT-MRXNPFEDSA-N 1 0 319.449 2.028 10 0 DEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCCc1ccccn1 ZINC000179171125 277572950 /nfs/dbraw/zinc/57/29/50/277572950.db2.gz VDWNXQRQJUXRBY-HNNXBMFYSA-N 1 0 304.438 2.188 10 0 DEAERO CC(C)[C@@H](CNC(=O)NC[C@H]1CCC(C)(C)O1)[NH+]1CCCC1 ZINC000187009874 277741145 /nfs/dbraw/zinc/74/11/45/277741145.db2.gz HPKSKTMRQLAYPH-HUUCEWRRSA-N 1 0 311.470 2.364 10 0 DEAERO COc1cccc2c(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)cc(C)nc12 ZINC000301700994 278025137 /nfs/dbraw/zinc/02/51/37/278025137.db2.gz FQZVJYRGVPTLFD-WBVHZDCISA-N 1 0 313.401 2.071 10 0 DEAERO COc1ccccc1/C=C/CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188890366 278045472 /nfs/dbraw/zinc/04/54/72/278045472.db2.gz OHKHDECTMDJAAP-DYLHUKMJSA-N 1 0 318.461 2.485 10 0 DEAERO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000471685106 278075951 /nfs/dbraw/zinc/07/59/51/278075951.db2.gz ACAJNVUIENGGFH-MDZLAQPJSA-N 1 0 319.371 2.453 10 0 DEAERO COc1ncc(C)cc1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000174973264 278088353 /nfs/dbraw/zinc/08/83/53/278088353.db2.gz IYNXIAIXZHKDJD-CYBMUJFWSA-N 1 0 306.410 2.395 10 0 DEAERO C[C@@H](C(=O)N1CCSc2ccccc21)N1CC[C@@](C)(C[NH3+])C1 ZINC000261689679 278195031 /nfs/dbraw/zinc/19/50/31/278195031.db2.gz HJYOAAMFTLFCTQ-GUYCJALGSA-N 1 0 319.474 2.185 10 0 DEAERO CC1CC[NH+](C[C@@H]2CCCN(Cc3nc(N(C)C)no3)C2)CC1 ZINC000192704405 278546932 /nfs/dbraw/zinc/54/69/32/278546932.db2.gz NGACBROAAHDMQO-HNNXBMFYSA-N 1 0 321.469 2.080 10 0 DEAERO CC(C)(CNC(=O)N1CC[C@@H]2OCCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000132807760 278615697 /nfs/dbraw/zinc/61/56/97/278615697.db2.gz RVHVAIIUTSRLRR-CVEARBPZSA-N 1 0 323.481 2.461 10 0 DEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCOCC[C@H]2C)C1 ZINC000364428171 278884707 /nfs/dbraw/zinc/88/47/07/278884707.db2.gz VVMKNEJJVWWTML-BZUAXINKSA-N 1 0 311.470 2.175 10 0 DEAERO CCC[C@H](C)CS(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000113280024 278927175 /nfs/dbraw/zinc/92/71/75/278927175.db2.gz NSFTWVDBAFWDPZ-AWEZNQCLSA-N 1 0 302.484 2.313 10 0 DEAERO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502638 279685810 /nfs/dbraw/zinc/68/58/10/279685810.db2.gz MWSICOWLCWLVER-GJZGRUSLSA-N 1 0 318.465 2.389 10 0 DEAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)oc2c1C(=O)CCC2 ZINC000195331649 280207822 /nfs/dbraw/zinc/20/78/22/280207822.db2.gz ZRWXYHFGPCUELI-GFCCVEGCSA-N 1 0 302.374 2.027 10 0 DEAERO Cc1cc(C)c(N2CC[C@H](NC3CC[NH+](C)CC3)C2=O)c(C)c1 ZINC000190972491 280387952 /nfs/dbraw/zinc/38/79/52/280387952.db2.gz BVHPYHGIYUUGFN-KRWDZBQOSA-N 1 0 315.461 2.401 10 0 DEAERO CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000246567438 288281193 /nfs/dbraw/zinc/28/11/93/288281193.db2.gz USLHTXLBKITNIG-HOCLYGCPSA-N 1 0 301.434 2.243 10 0 DEAERO CC[C@]1(CO)CCCN1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000190986654 281348720 /nfs/dbraw/zinc/34/87/20/281348720.db2.gz CRJJUYCYUUIYLJ-NVXWUHKLSA-N 1 0 311.470 2.053 10 0 DEAERO CCN(C[C@@H]1CCCO1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119072548 281711732 /nfs/dbraw/zinc/71/17/32/281711732.db2.gz NUZAPUBTKPJYDO-GPANFISMSA-N 1 0 311.470 2.317 10 0 DEAERO Cc1cc(C(=O)CN2C[C@H](C(N)=O)CC[C@@H]2C)c(C)n1C1CC1 ZINC000133136238 282008989 /nfs/dbraw/zinc/00/89/89/282008989.db2.gz JBTJGDLIKYEDMV-SMDDNHRTSA-N 1 0 317.433 2.208 10 0 DEAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)s1 ZINC000190837612 293204132 /nfs/dbraw/zinc/20/41/32/293204132.db2.gz HZYSECQLWCUXNA-JGVFFNPUSA-N 1 0 312.357 2.034 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)c1cccc2c1OCO2 ZINC000261760484 295232959 /nfs/dbraw/zinc/23/29/59/295232959.db2.gz QDZFJIBCMOLOAL-UHFFFAOYSA-N 1 0 312.369 2.059 10 0 DEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000423684084 297714719 /nfs/dbraw/zinc/71/47/19/297714719.db2.gz ULWUOBMDUHLKFE-DOMZBBRYSA-N 1 0 322.836 2.336 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000120256966 301245938 /nfs/dbraw/zinc/24/59/38/301245938.db2.gz MBRKGYSREXVDFV-RDJZCZTQSA-N 1 0 314.433 2.480 10 0 DEAERO Cc1cc(F)cc(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000229326042 301300608 /nfs/dbraw/zinc/30/06/08/301300608.db2.gz JSNQXQHMWYYIFX-TZMCWYRMSA-N 1 0 314.426 2.333 10 0 DEAERO Cc1ccc(N(C)C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000262549306 301619636 /nfs/dbraw/zinc/61/96/36/301619636.db2.gz SCPCUPDXQQPULI-IIDMSEBBSA-N 1 0 302.418 2.490 10 0 DEAERO O=C(NC/C=C/c1ccccc1)NCCCC[NH+]1CCOCC1 ZINC000171850922 325724556 /nfs/dbraw/zinc/72/45/56/325724556.db2.gz KPAFMLKSMGARCT-RMKNXTFCSA-N 1 0 317.433 2.111 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(C)s1 ZINC000576107153 326269707 /nfs/dbraw/zinc/26/97/07/326269707.db2.gz AHHVBDIVYCKQDG-AWEZNQCLSA-N 1 0 314.476 2.129 10 0 DEAERO COC[C@@H](C)C[NH2+][C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000188029968 333015873 /nfs/dbraw/zinc/01/58/73/333015873.db2.gz AGOCNSXLKVAXDZ-DLBZAZTESA-N 1 0 305.466 2.069 10 0 DEAERO COC[C@H]([NH2+]CCCc1c(C)nn(C)c1C)C1CCOCC1 ZINC000188302704 333042787 /nfs/dbraw/zinc/04/27/87/333042787.db2.gz FRTOTYYSLPPFDI-KRWDZBQOSA-N 1 0 309.454 2.001 10 0 DEAERO COC[C@@H](C)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000189639920 333190448 /nfs/dbraw/zinc/19/04/48/333190448.db2.gz MTDZEKGAEDVSRW-AWEZNQCLSA-N 1 0 308.397 2.256 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)NCCOCC1CCC1)c1ccccc1 ZINC000583786585 337332825 /nfs/dbraw/zinc/33/28/25/337332825.db2.gz RLSPGCWQECFLRH-KRWDZBQOSA-N 1 0 319.449 2.405 10 0 DEAERO CCCc1cc(C(=O)NCC)ccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000584592694 337373531 /nfs/dbraw/zinc/37/35/31/337373531.db2.gz LOJHVDYPTGQYLA-INIZCTEOSA-N 1 0 322.449 2.127 10 0 DEAERO c1cncc(O[C@H]2CCCc3ccc(N4CC[NH2+]CC4)nc32)c1 ZINC000584651825 337380980 /nfs/dbraw/zinc/38/09/80/337380980.db2.gz VMJXPZMMHVIMSE-INIZCTEOSA-N 1 0 310.401 2.343 10 0 DEAERO CCCOc1nc(C)ccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000191090181 337399557 /nfs/dbraw/zinc/39/95/57/337399557.db2.gz YBYDWFZWOKIYOP-HNNXBMFYSA-N 1 0 317.433 2.489 10 0 DEAERO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192549625 341874788 /nfs/dbraw/zinc/87/47/88/341874788.db2.gz LNYIAUMQALUCTB-SNVBAGLBSA-N 1 0 316.430 2.493 10 0 DEAERO C[C@H](NC(=O)[C@H](C)[N@H+](C)CCCO)c1ccc2c(c1)CCCC2 ZINC000440956589 533722976 /nfs/dbraw/zinc/72/29/76/533722976.db2.gz YTUAEWWWXKTQQX-GJZGRUSLSA-N 1 0 318.461 2.445 10 0 DEAERO CC1(C)CCC(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000176319796 517502786 /nfs/dbraw/zinc/50/27/86/517502786.db2.gz HSJBKBOMVZDGNY-HNNXBMFYSA-N 1 0 323.481 2.319 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2nccn2C(C)C)C[C@@H]1CC ZINC000105838622 519923291 /nfs/dbraw/zinc/92/32/91/519923291.db2.gz MKGYDQQVBPBZFG-INIZCTEOSA-N 1 0 308.470 2.397 10 0 DEAERO CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105919719 521125820 /nfs/dbraw/zinc/12/58/20/521125820.db2.gz IACDFMWUJGZOQW-JKSUJKDBSA-N 1 0 322.453 2.339 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCN(C)c2ccccc2)C1 ZINC000107838146 521619381 /nfs/dbraw/zinc/61/93/81/521619381.db2.gz CCCYYUHOHWUKPR-MRXNPFEDSA-N 1 0 318.465 2.249 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)Cc2c(C)noc2C)C1 ZINC000157384675 521646419 /nfs/dbraw/zinc/64/64/19/521646419.db2.gz ZNJKXQOPSYAUFR-FZMZJTMJSA-N 1 0 308.426 2.006 10 0 DEAERO Cn1cc([C@H]2CCCN2C(=O)c2cccc(C[NH+](C)C)c2)cn1 ZINC000156219556 521912873 /nfs/dbraw/zinc/91/28/73/521912873.db2.gz AKQBXXDLYDNBIX-QGZVFWFLSA-N 1 0 312.417 2.459 10 0 DEAERO O=C(c1cc(=O)[nH]c2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195094695 534669752 /nfs/dbraw/zinc/66/97/52/534669752.db2.gz ZFEFXLYSDOQIKH-ZDUSSCGKSA-N 1 0 311.385 2.251 10 0 DEAERO CC[C@H](Sc1ccccc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783274 522920860 /nfs/dbraw/zinc/92/08/60/522920860.db2.gz RMOSUZFDSWDAAJ-ZBFHGGJFSA-N 1 0 322.474 2.346 10 0 DEAERO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)CC[C@H](C)[NH3+])ccc2NC1=O ZINC000248873926 523605096 /nfs/dbraw/zinc/60/50/96/523605096.db2.gz PVRHZBWSWFSASX-WDMOLILDSA-N 1 0 319.405 2.101 10 0 DEAERO COc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1OC ZINC000246748215 523728178 /nfs/dbraw/zinc/72/81/78/523728178.db2.gz BHCHYLOVBJDDOB-GXTWGEPZSA-N 1 0 306.406 2.162 10 0 DEAERO CC(=O)Nc1ccc(N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262031912 534746177 /nfs/dbraw/zinc/74/61/77/534746177.db2.gz XQHOROMUEHSZAW-BRWVUGGUSA-N 1 0 303.406 2.214 10 0 DEAERO Cc1ccccc1OCCC[NH+]1CCN(c2cccnn2)CC1 ZINC000170648673 525289983 /nfs/dbraw/zinc/28/99/83/525289983.db2.gz JPGNWZBRHPPQCC-UHFFFAOYSA-N 1 0 312.417 2.376 10 0 DEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCc2ccnn2C)C1 ZINC000119825893 525380510 /nfs/dbraw/zinc/38/05/10/525380510.db2.gz ATEKRFPQRKFNSF-IYBDPMFKSA-N 1 0 320.481 2.227 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)CSCc2ccccn2)CC[N@@H+]1C ZINC000124342936 525416075 /nfs/dbraw/zinc/41/60/75/525416075.db2.gz BREVCELNMNTIMK-UKRRQHHQSA-N 1 0 307.463 2.256 10 0 DEAERO Cc1ccnc(C2CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC2)n1 ZINC000363807082 525641462 /nfs/dbraw/zinc/64/14/62/525641462.db2.gz TYOMZWOOUTVMOM-AWEZNQCLSA-N 1 0 304.438 2.220 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)OC)c(OC)c1 ZINC000358005775 534902771 /nfs/dbraw/zinc/90/27/71/534902771.db2.gz ZMLCLHRVIDRLIM-AWEZNQCLSA-N 1 0 320.389 2.295 10 0 DEAERO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237681935 526241707 /nfs/dbraw/zinc/24/17/07/526241707.db2.gz CPQXBPJJEWQQLL-DZGCQCFKSA-N 1 0 315.417 2.297 10 0 DEAERO O=C(c1cccs1)N1CCCN(CC[NH+]2CCCCC2)CC1 ZINC000158119531 526835913 /nfs/dbraw/zinc/83/59/13/526835913.db2.gz ZJMXWVNMNAGKKP-UHFFFAOYSA-N 1 0 321.490 2.382 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H](OCCCc3ccccc3)C2)C1 ZINC000246286676 527369177 /nfs/dbraw/zinc/36/91/77/527369177.db2.gz MZFHFPGYZLVDFL-KSZLIROESA-N 1 0 316.445 2.364 10 0 DEAERO COC1(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)CC[NH2+]CC1 ZINC000262601505 536534943 /nfs/dbraw/zinc/53/49/43/536534943.db2.gz DAXOJKWWAUVGHK-UHFFFAOYSA-N 1 0 315.417 2.170 10 0 DEAERO CC(=O)c1ccccc1OCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261819714 534926054 /nfs/dbraw/zinc/92/60/54/534926054.db2.gz APZOKKCLWTYMMI-XYPWUTKMSA-N 1 0 302.418 2.483 10 0 DEAERO CC(C)(C)c1noc(CCc2nc(C3([NH3+])CCCC3)no2)n1 ZINC000261877001 534937465 /nfs/dbraw/zinc/93/74/65/534937465.db2.gz VVVVRJKUAHAJGY-UHFFFAOYSA-N 1 0 305.382 2.263 10 0 DEAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1 ZINC000453585517 534953671 /nfs/dbraw/zinc/95/36/71/534953671.db2.gz GQJMXTIHTIEYJT-SFHVURJKSA-N 1 0 318.417 2.400 10 0 DEAERO CC(C)(C)OC(=O)c1cccc(C(=O)NCC[NH+]2CCCC2)c1 ZINC000180342033 534956134 /nfs/dbraw/zinc/95/61/34/534956134.db2.gz YGNBSVIYVQOMJK-UHFFFAOYSA-N 1 0 318.417 2.468 10 0 DEAERO CC(C)(C)c1nc(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000261821184 535161547 /nfs/dbraw/zinc/16/15/47/535161547.db2.gz OCOPRUSBQNXDOQ-BETUJISGSA-N 1 0 321.490 2.441 10 0 DEAERO CCCC[N@H+](C)CCNC(=O)NC[C@](C)(O)C1CCCCC1 ZINC000358445465 535220810 /nfs/dbraw/zinc/22/08/10/535220810.db2.gz NKABZJDMZLLANZ-KRWDZBQOSA-N 1 0 313.486 2.349 10 0 DEAERO CC(C)[C@@](C)(CO)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000352893814 535311043 /nfs/dbraw/zinc/31/10/43/535311043.db2.gz PTFILJWDZDFQQP-IUODEOHRSA-N 1 0 301.814 2.076 10 0 DEAERO CC1(C)CN(C(=O)Cc2ccccc2OC(F)F)CC[C@H]1[NH3+] ZINC000261772096 535336574 /nfs/dbraw/zinc/33/65/74/535336574.db2.gz FSGRYGDCBSSCHQ-CYBMUJFWSA-N 1 0 312.360 2.416 10 0 DEAERO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000262562890 535359393 /nfs/dbraw/zinc/35/93/93/535359393.db2.gz RAAIQRXIBDEFKV-LBPRGKRZSA-N 1 0 317.433 2.399 10 0 DEAERO CCO[C@@H](C)c1ncc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000261950594 535735796 /nfs/dbraw/zinc/73/57/96/535735796.db2.gz KBGJIAAKBYICGA-JQWIXIFHSA-N 1 0 311.451 2.440 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000246846841 535875811 /nfs/dbraw/zinc/87/58/11/535875811.db2.gz CBNJVXXRPHQRDG-OLZOCXBDSA-N 1 0 304.438 2.406 10 0 DEAERO CCc1cccc(CC)c1NC(=O)CN1CCC[C@@H]([NH2+]C)C1 ZINC000261683709 535878800 /nfs/dbraw/zinc/87/88/00/535878800.db2.gz DJJJUHOALXYOJE-MRXNPFEDSA-N 1 0 303.450 2.434 10 0 DEAERO 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CO[C@@]1(C[NH2+]CCCC2CCCCC2)CCS(=O)(=O)C1 ZINC000721231772 784280609 /nfs/dbraw/zinc/28/06/09/784280609.db2.gz ZQLMTEBTLVOEQG-OAHLLOKOSA-N 1 0 303.468 2.140 10 0 DEAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc2c(c1)OCO2 ZINC000186255219 784368323 /nfs/dbraw/zinc/36/83/23/784368323.db2.gz VXXGIPHJGYGMTA-ZDUSSCGKSA-N 1 0 304.390 2.410 10 0 DEAERO CC(C)(C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)CS(C)(=O)=O ZINC000721866864 787323377 /nfs/dbraw/zinc/32/33/77/787323377.db2.gz BRJSTHHJKASOKV-QWHCGFSZSA-N 1 0 305.484 2.241 10 0 DEAERO CC(C)(C)OC(=O)NC1CCN(CC[NH2+]CC2(C)CC2)CC1 ZINC000721877318 787323898 /nfs/dbraw/zinc/32/38/98/787323898.db2.gz FQPNXVSDMLWBAA-UHFFFAOYSA-N 1 0 311.470 2.365 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1cncnc1 ZINC000723823355 787345641 /nfs/dbraw/zinc/34/56/41/787345641.db2.gz JGJXMFQUUDZPLR-TZMCWYRMSA-N 1 0 306.410 2.069 10 0 DEAERO C[C@](O)(C[NH2+]C[C@H]1CC(C)(C)CO1)C(F)(F)C(F)(F)F ZINC000724075760 787348651 /nfs/dbraw/zinc/34/86/51/787348651.db2.gz XLGQBRQUGQNCAO-SCZZXKLOSA-N 1 0 305.287 2.340 10 0 DEAERO C[C@H]1C[C@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CN1C1CC1 ZINC000397759910 790217330 /nfs/dbraw/zinc/21/73/30/790217330.db2.gz UWXVEPQCJGKUQG-JSGCOSHPSA-N 1 0 309.454 2.068 10 0 DEAERO COC(=O)c1ccc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)o1 ZINC000397780047 790219147 /nfs/dbraw/zinc/21/91/47/790219147.db2.gz YRCPFTLJVWHUNV-UHFFFAOYSA-N 1 0 324.377 2.023 10 0 DEAERO CC[C@@H](C)[C@@H](C[NH2+]Cc1cn(C)nc1Br)OC ZINC000712443644 792188401 /nfs/dbraw/zinc/18/84/01/792188401.db2.gz FWBZJASXENWHSF-MWLCHTKSSA-N 1 0 304.232 2.333 10 0 DEAERO Cn1cc(C[NH2+]CCCc2nccs2)c(Br)n1 ZINC000712496289 792190335 /nfs/dbraw/zinc/19/03/35/792190335.db2.gz MRZVOKFHIKERPH-UHFFFAOYSA-N 1 0 315.240 2.362 10 0 DEAERO CC(C)COCCC[NH2+]Cc1cn(C)nc1Br ZINC000712492496 792190583 /nfs/dbraw/zinc/19/05/83/792190583.db2.gz XVVDEXWAUDVWCH-UHFFFAOYSA-N 1 0 304.232 2.335 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000712593399 792192164 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CC[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000716852745 793010415 /nfs/dbraw/zinc/01/04/15/793010415.db2.gz NKMQHCKBRMBFSW-IACUBPJLSA-N 1 0 301.814 2.219 10 0 DEAERO C[C@]1(c2cccc(C[NH2+]Cc3cccs3)c2)NC(=O)NC1=O ZINC000171130951 793712329 /nfs/dbraw/zinc/71/23/29/793712329.db2.gz GVVFFQVQWYHSAY-MRXNPFEDSA-N 1 0 315.398 2.093 10 0 DEAERO Cc1nn(C)c(Cl)c1CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717150877 799256660 /nfs/dbraw/zinc/25/66/60/799256660.db2.gz FTVIXCILBCHWHS-NXEZZACHSA-N 1 0 310.751 2.093 10 0 DEAERO O=S1(=O)CCC[C@@H]([NH2+]CC[C@H]2CCC3(CCC3)O2)CC1 ZINC000717176090 799257477 /nfs/dbraw/zinc/25/74/77/799257477.db2.gz WWPWOIJNDUAQGQ-ZIAGYGMSSA-N 1 0 301.452 2.035 10 0 DEAERO CC[NH+](CC)CCCOC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000800142240 799321171 /nfs/dbraw/zinc/32/11/71/799321171.db2.gz PYYOLMPKQJWQIP-UHFFFAOYSA-N 1 0 309.410 2.096 10 0 DEAERO C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000717531714 799423624 /nfs/dbraw/zinc/42/36/24/799423624.db2.gz HULDBRBQJZZYIH-KBPBESRZSA-N 1 0 302.484 2.216 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401670559 801839449 /nfs/dbraw/zinc/83/94/49/801839449.db2.gz BBEITRWNDSEETF-DZGCQCFKSA-N 1 0 322.453 2.198 10 0 DEAERO C[C@@H](CCCO)[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401722428 801846350 /nfs/dbraw/zinc/84/63/50/801846350.db2.gz BFDDDCOVUIVCGW-RDBSUJKOSA-N 1 0 300.443 2.383 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CC(C)(C)CO)CN(C(=O)OC(C)(C)C)C1 ZINC000401767303 801850135 /nfs/dbraw/zinc/85/01/35/801850135.db2.gz MIADFQCGBNJFSC-QWHCGFSZSA-N 1 0 300.443 2.240 10 0 DEAERO CN1CCC[C@H]([NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401906495 801858173 /nfs/dbraw/zinc/85/81/73/801858173.db2.gz HQNFFRSMTACZPI-IRXDYDNUSA-N 1 0 317.433 2.081 10 0 DEAERO CCNc1ncc(C(=O)NCC[NH+]2CCCCC2)cc1Cl ZINC000050777291 1078477846 /nfs/dbraw/zinc/47/78/46/1078477846.db2.gz RHHZCAGRASTPNH-UHFFFAOYSA-N 1 0 310.829 2.383 10 0 DEAERO c1ccc(N2CCOCC2)c(C[NH2+]CCCOCC2CC2)c1 ZINC000066970511 1079866995 /nfs/dbraw/zinc/86/69/95/1079866995.db2.gz IGETURQDJPODNE-UHFFFAOYSA-N 1 0 304.434 2.430 10 0 DEAERO c1cnn(-c2ccc(C[NH2+]CCOC[C@@H]3CCOC3)cc2)c1 ZINC000068992984 1079946047 /nfs/dbraw/zinc/94/60/47/1079946047.db2.gz CYMYIJMDMPIRRA-MRXNPFEDSA-N 1 0 301.390 2.015 10 0 DEAERO C=CCOc1ccc(C[NH2+]CCCN2CCOC2=O)cc1OC ZINC000077405829 1080469818 /nfs/dbraw/zinc/46/98/18/1080469818.db2.gz LQPARBZFAUOZNV-UHFFFAOYSA-N 1 0 320.389 2.192 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)CCC(C)(C)C1CC1 ZINC000717911479 1081750912 /nfs/dbraw/zinc/75/09/12/1081750912.db2.gz DTLPOQFYNICTMT-CQSZACIVSA-N 1 0 302.484 2.216 10 0 DEAERO C/C=C\C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717922431 1081787319 /nfs/dbraw/zinc/78/73/19/1081787319.db2.gz ZBKIOKZKQFCCTE-KXFIGUGUSA-N 1 0 302.418 2.096 10 0 DEAERO CC(C)(CCS(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C)C1CC1 ZINC000718013613 1081863544 /nfs/dbraw/zinc/86/35/44/1081863544.db2.gz IGMKNFQNMNJZBX-ZDUSSCGKSA-N 1 0 302.484 2.120 10 0 DEAERO CC[C@H]1CCCC[C@H]1C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000721846115 1084090392 /nfs/dbraw/zinc/09/03/92/1084090392.db2.gz VKIWSIXBUJJKES-GJZGRUSLSA-N 1 0 302.484 2.218 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000721928587 1084485666 /nfs/dbraw/zinc/48/56/66/1084485666.db2.gz GQABCYYEOIOUHQ-CZUORRHYSA-N 1 0 323.481 2.458 10 0 DEAERO Cc1nn(C)c(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c1Cl ZINC000720510354 1085268410 /nfs/dbraw/zinc/26/84/10/1085268410.db2.gz KGLZVZNSZIWCMA-YPMHNXCESA-N 1 0 314.886 2.051 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1cnccn1 ZINC000721041553 1085630384 /nfs/dbraw/zinc/63/03/84/1085630384.db2.gz LVBJXRNVSYINLK-ZIAGYGMSSA-N 1 0 320.437 2.459 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1cn(C)cn1 ZINC000721043279 1085632769 /nfs/dbraw/zinc/63/27/69/1085632769.db2.gz XWPGJZAHVBEWFL-ZIAGYGMSSA-N 1 0 322.453 2.403 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(Br)cc3)C[C@]2(C)C1 ZINC000702376243 1086426419 /nfs/dbraw/zinc/42/64/19/1086426419.db2.gz JGFDLCQJLVXZCH-DOMZBBRYSA-N 1 0 323.234 2.473 10 0 DEAERO C[C@@H](CC(=O)NCCC1SCCS1)[C@H]1CCC[NH2+]C1 ZINC000703343317 1086494282 /nfs/dbraw/zinc/49/42/82/1086494282.db2.gz ZDOZNNQXVMGXOZ-RYUDHWBXSA-N 1 0 302.509 2.325 10 0 DEAERO COc1cncc(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000704198495 1086573199 /nfs/dbraw/zinc/57/31/99/1086573199.db2.gz JOWLFHSYZVTIFO-ZDUSSCGKSA-N 1 0 321.421 2.437 10 0 DEAERO COc1cncc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000704209353 1086574958 /nfs/dbraw/zinc/57/49/58/1086574958.db2.gz UQNLOXKMJTWJPS-GFCCVEGCSA-N 1 0 309.410 2.435 10 0 DEAERO CCC[NH+]1CCC(N[C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000705599066 1086617715 /nfs/dbraw/zinc/61/77/15/1086617715.db2.gz PXTHKGQFCQWVHI-AWEZNQCLSA-N 1 0 313.442 2.001 10 0 DEAERO [NH3+]CC1(NC(=O)c2coc(Br)c2)CCCCC1 ZINC000705549811 1086618964 /nfs/dbraw/zinc/61/89/64/1086618964.db2.gz RKCPYJXRRXBBMZ-UHFFFAOYSA-N 1 0 301.184 2.434 10 0 DEAERO C[C@]12CN(C(=O)c3cn[nH]c3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000705699671 1086621097 /nfs/dbraw/zinc/62/10/97/1086621097.db2.gz ZIDRUPKHTXZEGR-OALUTQOASA-N 1 0 324.428 2.394 10 0 DEAERO C[C@@H]1C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)[C@H](C)O1 ZINC000705880534 1086625393 /nfs/dbraw/zinc/62/53/93/1086625393.db2.gz FQMWQHMYYHBPQF-RDBSUJKOSA-N 1 0 316.442 2.025 10 0 DEAERO C[NH+]1C[C@@]2(C)CN(c3ncncc3Br)C[C@]2(C)C1 ZINC000707137653 1086660694 /nfs/dbraw/zinc/66/06/94/1086660694.db2.gz ZHSCXMXHMUHVHT-STQMWFEESA-N 1 0 311.227 2.017 10 0 DEAERO C[NH+]1C[C@]2(C)CN(c3ncncc3Br)C[C@@]2(C)C1 ZINC000707137649 1086660729 /nfs/dbraw/zinc/66/07/29/1086660729.db2.gz ZHSCXMXHMUHVHT-CHWSQXEVSA-N 1 0 311.227 2.017 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1cn(C)cn1 ZINC000709937818 1086685440 /nfs/dbraw/zinc/68/54/40/1086685440.db2.gz FARVDCGIRQERSF-FRRDWIJNSA-N 1 0 308.426 2.469 10 0 DEAERO COC1(OC)CC[C@H]1[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000710972303 1086692690 /nfs/dbraw/zinc/69/26/90/1086692690.db2.gz XFNDFOUMGFLSQN-QWHCGFSZSA-N 1 0 316.442 2.421 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000710988331 1086692719 /nfs/dbraw/zinc/69/27/19/1086692719.db2.gz LHBPPNMMPBLDMA-XQQFMLRXSA-N 1 0 314.426 2.125 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000711441299 1087113180 /nfs/dbraw/zinc/11/31/80/1087113180.db2.gz YJSNNTIOJCBFLA-KBXIAJHMSA-N 1 0 312.454 2.430 10 0 DEAERO C[C@]1(c2nc(-c3ccccc3Br)no2)C[NH2+]CCO1 ZINC000711560602 1087157141 /nfs/dbraw/zinc/15/71/41/1087157141.db2.gz SUGZNYHBDUPHQW-CYBMUJFWSA-N 1 0 324.178 2.334 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cncnc3)CCC[C@@H]12 ZINC000711639360 1087175767 /nfs/dbraw/zinc/17/57/67/1087175767.db2.gz KOGQPVRYQRJKSB-RHSMWYFYSA-N 1 0 318.421 2.498 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cnc[nH]3)CCC[C@@H]12 ZINC000711623334 1087177659 /nfs/dbraw/zinc/17/76/59/1087177659.db2.gz LFPQGIXHSPHABV-CZUORRHYSA-N 1 0 306.410 2.431 10 0 DEAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cnc2n1CCC2 ZINC000719117130 1088842018 /nfs/dbraw/zinc/84/20/18/1088842018.db2.gz QKLAKAUMWAYCHG-NWDGAFQWSA-N 1 0 308.426 2.221 10 0 DEAERO Cc1nc(C[NH2+][C@@H](C)C2(CO)CC2)sc1Br ZINC000719228803 1088911036 /nfs/dbraw/zinc/91/10/36/1088911036.db2.gz GBWVNUXUFBXBHE-QMMMGPOBSA-N 1 0 305.241 2.465 10 0 DEAERO CO[C@@]1(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CCSC1 ZINC000719254325 1088914785 /nfs/dbraw/zinc/91/47/85/1088914785.db2.gz XVKYQVPNWICQPL-OAHLLOKOSA-N 1 0 318.483 2.401 10 0 DEAERO Cc1nc(CN2C[C@H](C)[NH2+]C[C@@H]2C)sc1Br ZINC000719250975 1088914909 /nfs/dbraw/zinc/91/49/09/1088914909.db2.gz HCPFWQHABHAEQR-YUMQZZPRSA-N 1 0 304.257 2.396 10 0 DEAERO Cc1nc(C[NH2+]CC[C@@H](O)C(F)F)sc1Br ZINC000719285753 1088927076 /nfs/dbraw/zinc/92/70/76/1088927076.db2.gz CSHKJCZVWXQCNQ-ZCFIWIBFSA-N 1 0 315.183 2.320 10 0 DEAERO CO[C@@]1(C[NH2+]C[C@@H](O)c2c(F)cccc2F)CCSC1 ZINC000719323624 1088952382 /nfs/dbraw/zinc/95/23/82/1088952382.db2.gz KUAULRBHWFNBLA-TZMCWYRMSA-N 1 0 303.374 2.110 10 0 DEAERO C[C@@H]1[C@H](NC(=O)c2cc(Br)ccc2F)CC[N@@H+]1C ZINC000719388441 1089070902 /nfs/dbraw/zinc/07/09/02/1089070902.db2.gz QGTQGMDXEAHDMH-PRHODGIISA-N 1 0 315.186 2.411 10 0 DEAERO Cc1ccc(C[NH2+]C[C@]2(O)CCOC2)c(C)c1Br ZINC000719614160 1089328362 /nfs/dbraw/zinc/32/83/62/1089328362.db2.gz RKXALFXXHYMQFU-CQSZACIVSA-N 1 0 314.223 2.307 10 0 DEAERO CCOC[C@H](O)C[N@H+](C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000720038404 1089427322 /nfs/dbraw/zinc/42/73/22/1089427322.db2.gz SRSOKNSDGQXOEL-RBUKOAKNSA-N 1 0 320.477 2.370 10 0 DEAERO CC(=O)Nc1cccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000139524765 282101063 /nfs/dbraw/zinc/10/10/63/282101063.db2.gz QTRVJFCATYNEFG-LRDDRELGSA-N 1 0 318.421 2.099 10 0 DEAERO C[NH2+][C@@H](CSCC(=O)OC)c1ccc2c(c1)OCCCO2 ZINC000081792114 192324123 /nfs/dbraw/zinc/32/41/23/192324123.db2.gz FNUKEVUBFWISGP-LBPRGKRZSA-N 1 0 311.403 2.015 10 0 DEAERO Cn1ccnc1SC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081840586 192329965 /nfs/dbraw/zinc/32/99/65/192329965.db2.gz YENPFNPZGQCNPQ-GFCCVEGCSA-N 1 0 305.403 2.374 10 0 DEAERO CC(C)n1c(S[C@H]2CCc3ccccc3[C@@H]2[NH3+])n[nH]c1=O ZINC000081879526 192334649 /nfs/dbraw/zinc/33/46/49/192334649.db2.gz ZQVWCGLWRGMTLQ-STQMWFEESA-N 1 0 304.419 2.259 10 0 DEAERO [NH3+][C@@H]1CCC2(C[C@H]1Sc1ncccc1Cl)OCCO2 ZINC000081896656 192335139 /nfs/dbraw/zinc/33/51/39/192335139.db2.gz CKPDHMQGTAYSOF-GHMZBOCLSA-N 1 0 300.811 2.450 10 0 DEAERO COCCN1CCN(C(=O)CCc2cc(C)cc(C)c2)C[C@@H]1C ZINC000151161142 282111957 /nfs/dbraw/zinc/11/19/57/282111957.db2.gz SBQSETRKWBZLPR-KRWDZBQOSA-N 1 0 318.461 2.415 10 0 DEAERO COc1ccc(S(=O)(=O)[C@@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC000081923119 192340074 /nfs/dbraw/zinc/34/00/74/192340074.db2.gz JAQUTYXOSRKDRU-CVEARBPZSA-N 1 0 303.383 2.094 10 0 DEAERO Nc1ccccc1OCCCC(=O)NCCCC[NH+]1CCCC1 ZINC000096754655 185386355 /nfs/dbraw/zinc/38/63/55/185386355.db2.gz WCMHIUNSVPTMBL-UHFFFAOYSA-N 1 0 319.449 2.420 10 0 DEAERO CCC[C@@H]1CCN(S(=O)(=O)c2cc(C[NH2+]C)cs2)C1 ZINC000163613121 197641553 /nfs/dbraw/zinc/64/15/53/197641553.db2.gz RVUPQSUJVHZUBY-LLVKDONJSA-N 1 0 302.465 2.278 10 0 DEAERO CCc1cccc(CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000152206922 282137821 /nfs/dbraw/zinc/13/78/21/282137821.db2.gz WVCPGPPWLUWXJB-GOSISDBHSA-N 1 0 318.461 2.145 10 0 DEAERO [NH3+][C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000081934073 192342881 /nfs/dbraw/zinc/34/28/81/192342881.db2.gz PWRXIGIIWCAXFX-LSDHHAIUSA-N 1 0 309.337 2.363 10 0 DEAERO CC(C)(C)[C@H]1CCCN(S(=O)(=O)C2CC[NH2+]CC2)CC1 ZINC000079358449 185166891 /nfs/dbraw/zinc/16/68/91/185166891.db2.gz DYZLZYLIADIUBE-ZDUSSCGKSA-N 1 0 302.484 2.216 10 0 DEAERO C[N@@H+]1CCC[C@@H](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000082315255 185175402 /nfs/dbraw/zinc/17/54/02/185175402.db2.gz XPLMQSMPDGBXBM-HNNXBMFYSA-N 1 0 319.424 2.206 10 0 DEAERO CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1S(=O)(=O)CCOC ZINC000081945098 192345984 /nfs/dbraw/zinc/34/59/84/192345984.db2.gz SPQJGNSEIOLHCZ-ILXRZTDVSA-N 1 0 305.484 2.241 10 0 DEAERO COc1ccc(Br)c(CN[C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000358086099 536628167 /nfs/dbraw/zinc/62/81/67/536628167.db2.gz WLFDAGVAEUNFBM-IINYFYTJSA-N 1 0 313.239 2.497 10 0 DEAERO C[C@H](C[C@](C)([NH3+])CO)Sc1ccc(Br)cn1 ZINC000082905392 185209474 /nfs/dbraw/zinc/20/94/74/185209474.db2.gz VIQYRORYJYBIGY-KCJUWKMLSA-N 1 0 305.241 2.425 10 0 DEAERO O[C@@H](c1ccc(I)cc1)[C@@H]1CCCC[NH2+]1 ZINC000082954585 185209528 /nfs/dbraw/zinc/20/95/28/185209528.db2.gz KYUXQCXTKONMAJ-RYUDHWBXSA-N 1 0 317.170 2.467 10 0 DEAERO CCC[NH2+][C@H](CO)CSc1ncccc1Br ZINC000082905368 185209547 /nfs/dbraw/zinc/20/95/47/185209547.db2.gz GVBMIAAMVNVELR-SECBINFHSA-N 1 0 305.241 2.297 10 0 DEAERO CC[C@@H]1C[NH2+]CCN1c1ccc(I)cc1 ZINC000083086699 185212746 /nfs/dbraw/zinc/21/27/46/185212746.db2.gz WQHVFEKTZOLURS-LLVKDONJSA-N 1 0 316.186 2.479 10 0 DEAERO C[C@H]1C[NH2+]CCN1c1cccc(I)c1 ZINC000083086704 185213104 /nfs/dbraw/zinc/21/31/04/185213104.db2.gz WYUWVAIXTDPNRQ-VIFPVBQESA-N 1 0 302.159 2.089 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CCC23CCC3)CC(=O)N1C ZINC000328655871 231292304 /nfs/dbraw/zinc/29/23/04/231292304.db2.gz NFKHCTICBOOHJF-CKEIUWERSA-N 1 0 316.449 2.231 10 0 DEAERO [NH3+]C[C@H](c1cccc(Br)c1)[C@@H](O)C1CCOCC1 ZINC000087379040 185223086 /nfs/dbraw/zinc/22/30/86/185223086.db2.gz FUBZDMDJFWUXDX-KGLIPLIRSA-N 1 0 314.223 2.279 10 0 DEAERO CC(C)[C@@H](C[NH3+])NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000087404565 185223722 /nfs/dbraw/zinc/22/37/22/185223722.db2.gz LCLRGNRQCZRRCH-SBDDDAINSA-N 1 0 302.827 2.213 10 0 DEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000087404111 185223891 /nfs/dbraw/zinc/22/38/91/185223891.db2.gz CNYAVVKGJRUGRX-ZDUSSCGKSA-N 1 0 314.451 2.127 10 0 DEAERO CC[C@@H]1CN(C(=O)c2snnc2C(C)(C)C)[C@H](CC)C[NH2+]1 ZINC000087456113 185225659 /nfs/dbraw/zinc/22/56/59/185225659.db2.gz AHDDKWVWFOFXLL-GHMZBOCLSA-N 1 0 310.467 2.438 10 0 DEAERO COc1ccc(Br)c(C[C@H]([NH3+])c2ccn(C)n2)c1 ZINC000087795868 185232032 /nfs/dbraw/zinc/23/20/32/185232032.db2.gz HFUDJKYDDFXLSW-LBPRGKRZSA-N 1 0 310.195 2.434 10 0 DEAERO COc1ccc(Br)c(C[C@@]2(O)CCC[NH2+]C2)c1 ZINC000087790791 185232153 /nfs/dbraw/zinc/23/21/53/185232153.db2.gz IJSHRNBGVVWSGC-ZDUSSCGKSA-N 1 0 300.196 2.115 10 0 DEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000087516489 185227363 /nfs/dbraw/zinc/22/73/63/185227363.db2.gz YXYIPHNLVGEZSA-NSHDSACASA-N 1 0 311.813 2.355 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000087516490 185227377 /nfs/dbraw/zinc/22/73/77/185227377.db2.gz YXYIPHNLVGEZSA-LLVKDONJSA-N 1 0 311.813 2.355 10 0 DEAERO CC(C)[C@@H](C[NH3+])C(=O)N(C)Cc1ccc(Br)o1 ZINC000087527154 185227762 /nfs/dbraw/zinc/22/77/62/185227762.db2.gz ICERJGLOBBVWSA-SNVBAGLBSA-N 1 0 303.200 2.231 10 0 DEAERO COC(=O)CCN(CC(C)C)C(=O)[C@H](C)CCC[C@H](C)[NH3+] ZINC000087696524 185230727 /nfs/dbraw/zinc/23/07/27/185230727.db2.gz IANCCLMSKKBLTL-KGLIPLIRSA-N 1 0 300.443 2.188 10 0 DEAERO CC(C)(CC[NH3+])CCC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000087694877 185230808 /nfs/dbraw/zinc/23/08/08/185230808.db2.gz GLUVNPPLJBOCRS-UHFFFAOYSA-N 1 0 312.435 2.184 10 0 DEAERO [NH3+][C@@H](Cc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000087760341 185231449 /nfs/dbraw/zinc/23/14/49/185231449.db2.gz FHGSXNGRLDOPLM-UFBFGSQYSA-N 1 0 308.230 2.298 10 0 DEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000087768833 185231507 /nfs/dbraw/zinc/23/15/07/185231507.db2.gz RENQPFZLNGDDAO-CABCVRRESA-N 1 0 308.447 2.407 10 0 DEAERO C[C@H]1C[C@H](C)CN(c2nc(NN)[nH+]cc2Br)C1 ZINC000087897149 185235591 /nfs/dbraw/zinc/23/55/91/185235591.db2.gz WVBCOHZNRGFSJG-YUMQZZPRSA-N 1 0 300.204 2.007 10 0 DEAERO NNc1nc(NCc2cccs2)c(Br)c[nH+]1 ZINC000087905452 185237381 /nfs/dbraw/zinc/23/73/81/185237381.db2.gz IFZGTCYTYVRWME-UHFFFAOYSA-N 1 0 300.185 2.198 10 0 DEAERO C[C@](C[NH3+])(CCc1ccc2c(c1)OCO2)NCC(F)(F)F ZINC000087929682 185237514 /nfs/dbraw/zinc/23/75/14/185237514.db2.gz PLIFFRMRMUYIHN-CYBMUJFWSA-N 1 0 304.312 2.217 10 0 DEAERO CCC[NH2+]C[C@@H]1CC[C@H]1n1cc(I)cn1 ZINC000087923949 185237587 /nfs/dbraw/zinc/23/75/87/185237587.db2.gz POGFUPAAPIUGME-GXSJLCMTSA-N 1 0 319.190 2.438 10 0 DEAERO C[C@@H](CC[NH3+])S(=O)(=O)Cc1ccc(Br)cc1 ZINC000088088137 185239326 /nfs/dbraw/zinc/23/93/26/185239326.db2.gz NZSZHLXDFMYTQE-VIFPVBQESA-N 1 0 306.225 2.101 10 0 DEAERO Cc1ccc(Br)cc1Nc1cc(NN)[nH+]c(N)n1 ZINC000087854687 185233582 /nfs/dbraw/zinc/23/35/82/185233582.db2.gz CFOGXMQVPQFPEB-UHFFFAOYSA-N 1 0 309.171 2.159 10 0 DEAERO C[C@@H](C[NH3+])C[S@](=O)Cc1ccc(Br)cc1F ZINC000088089824 185239687 /nfs/dbraw/zinc/23/96/87/185239687.db2.gz UXMUKGUREDYOGO-ZKANADHPSA-N 1 0 308.216 2.432 10 0 DEAERO CC[NH2+][C@H]1CCN(c2ccc(OC)c(Br)c2)C1=O ZINC000088320464 185245570 /nfs/dbraw/zinc/24/55/70/185245570.db2.gz SEZLRPJXVSKSDT-NSHDSACASA-N 1 0 313.195 2.173 10 0 DEAERO COC(=O)CS(=O)(=O)[C@@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000081976052 192348424 /nfs/dbraw/zinc/34/84/24/192348424.db2.gz OQMXAQCYJXOAEZ-ZIAGYGMSSA-N 1 0 319.467 2.185 10 0 DEAERO CC[C@@H](C[NH3+])S(=O)(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000088471904 185251869 /nfs/dbraw/zinc/25/18/69/185251869.db2.gz ASVDHEULBKBTQO-KORRQRHVSA-N 1 0 314.495 2.248 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)CC2)o1 ZINC000088550937 185257470 /nfs/dbraw/zinc/25/74/70/185257470.db2.gz HRCZRBJGBLIFSM-GFCCVEGCSA-N 1 0 300.424 2.200 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)o1 ZINC000088542989 185256081 /nfs/dbraw/zinc/25/60/81/185256081.db2.gz YBIMURCUCYQGPO-SNVBAGLBSA-N 1 0 312.366 2.178 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)o1 ZINC000088544049 185256608 /nfs/dbraw/zinc/25/66/08/185256608.db2.gz KAGDKQHDJSKAHQ-UHFFFAOYSA-N 1 0 302.440 2.302 10 0 DEAERO CC[C@H](C)N(C)S(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088543717 185256652 /nfs/dbraw/zinc/25/66/52/185256652.db2.gz YRPNWLTWNVPCAE-LBPRGKRZSA-N 1 0 302.440 2.444 10 0 DEAERO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1S(=O)(=O)CCCOC ZINC000081985828 192348881 /nfs/dbraw/zinc/34/88/81/192348881.db2.gz DGGVSDUCEWDXIM-KKUMJFAQSA-N 1 0 305.484 2.385 10 0 DEAERO CCn1ncnc1C[C@@H]([NH3+])c1cc(Cl)c(OC)c(OC)c1 ZINC000088610922 185259874 /nfs/dbraw/zinc/25/98/74/185259874.db2.gz JKHOTABAXUFTQF-LLVKDONJSA-N 1 0 310.785 2.211 10 0 DEAERO CCn1ncnc1C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000088610124 185259907 /nfs/dbraw/zinc/25/99/07/185259907.db2.gz QQOKNVBGSRRSJZ-LBPRGKRZSA-N 1 0 309.211 2.173 10 0 DEAERO Cc1cc(C)c2c(N)c(C(=O)N(C)CC[NH+](C)C)sc2n1 ZINC000088643707 185261551 /nfs/dbraw/zinc/26/15/51/185261551.db2.gz GJIOQMJOHWGAGT-UHFFFAOYSA-N 1 0 306.435 2.129 10 0 DEAERO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1=O)c1ccccc1C(F)(F)F ZINC000088774580 185265266 /nfs/dbraw/zinc/26/52/66/185265266.db2.gz VONJUBMURWTCPU-KCJUWKMLSA-N 1 0 300.280 2.113 10 0 DEAERO CCC[C@H](C(=O)NCCc1nc2c(s1)CCCC2)[NH+](C)C ZINC000179158737 282216652 /nfs/dbraw/zinc/21/66/52/282216652.db2.gz JFTPTCHJBYCUER-CYBMUJFWSA-N 1 0 309.479 2.411 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)C1CCCC1)c1ccc2c(c1)OCO2 ZINC000081988423 192350451 /nfs/dbraw/zinc/35/04/51/192350451.db2.gz BLJHWMJFAYNMJC-CYBMUJFWSA-N 1 0 311.403 2.033 10 0 DEAERO CC[NH2+][C@H]1CCCCCC[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081990071 192350470 /nfs/dbraw/zinc/35/04/70/192350470.db2.gz MWCRVSOHRPCKPB-GJZGRUSLSA-N 1 0 303.468 2.281 10 0 DEAERO COc1ccccc1S(=O)(=O)C[C@@H]([NH3+])c1ccc(C)cc1 ZINC000081987381 192350557 /nfs/dbraw/zinc/35/05/57/192350557.db2.gz XZSZDMNVYWSLMD-CQSZACIVSA-N 1 0 305.399 2.477 10 0 DEAERO CCC[C@H]1CC[C@@H]([NH2+]C)[C@H](S(=O)(=O)C2CCOCC2)C1 ZINC000081990060 192350607 /nfs/dbraw/zinc/35/06/07/192350607.db2.gz DFQHAIBNUQRFNH-NWANDNLSSA-N 1 0 303.468 2.137 10 0 DEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1S(=O)(=O)C1CCCC1 ZINC000081988865 192351092 /nfs/dbraw/zinc/35/10/92/192351092.db2.gz NSTAIGHTQVRQGE-JKSUJKDBSA-N 1 0 309.431 2.456 10 0 DEAERO C[C@](O)(C[NH3+])Cc1nc(CSc2ccc(Cl)cc2)no1 ZINC000090244208 185288294 /nfs/dbraw/zinc/28/82/94/185288294.db2.gz FBZXKDUIVIDNNC-CYBMUJFWSA-N 1 0 313.810 2.268 10 0 DEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000090272214 185288661 /nfs/dbraw/zinc/28/86/61/185288661.db2.gz FEVHHAXJNVWVOT-HOCLYGCPSA-N 1 0 315.841 2.466 10 0 DEAERO COC[C@](C)(CO)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000613238246 362052995 /nfs/dbraw/zinc/05/29/95/362052995.db2.gz FWNXPUSBCACCGV-KRWDZBQOSA-N 1 0 309.406 2.129 10 0 DEAERO C[C@H](c1ccccc1Br)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308278 185290143 /nfs/dbraw/zinc/29/01/43/185290143.db2.gz ZMDIMINGKHDJIX-GFCCVEGCSA-N 1 0 324.266 2.100 10 0 DEAERO C[C@@H](c1cccc(Br)c1)N1CC(N2CC[NH2+]CC2)C1 ZINC000090308054 185290334 /nfs/dbraw/zinc/29/03/34/185290334.db2.gz MJOFUAFAVCEQFK-LBPRGKRZSA-N 1 0 324.266 2.100 10 0 DEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1Cc1noc(-c2cccs2)n1 ZINC000090337244 185291822 /nfs/dbraw/zinc/29/18/22/185291822.db2.gz ZXMBHSHTOBCYRI-WDEREUQCSA-N 1 0 304.419 2.228 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1CC(=O)Nc1cccc(Cl)c1 ZINC000090337923 185291886 /nfs/dbraw/zinc/29/18/86/185291886.db2.gz NKEFSPUUYMOYHZ-RISCZKNCSA-N 1 0 307.825 2.208 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000090487826 185298861 /nfs/dbraw/zinc/29/88/61/185298861.db2.gz ZLFSSUYBTKJERQ-RYUDHWBXSA-N 1 0 313.195 2.012 10 0 DEAERO C[C@H](NC(=O)[C@@H]1COC[C@@H]1[NH3+])c1ccc(Cl)cc1Cl ZINC000090379048 185293566 /nfs/dbraw/zinc/29/35/66/185293566.db2.gz WEQLBFFFCJLTBF-KOLSJAJHSA-N 1 0 303.189 2.144 10 0 DEAERO Cc1nc(-c2cccc(NC(=O)[C@H]3COC[C@H]3[NH3+])c2)cs1 ZINC000090380493 185293775 /nfs/dbraw/zinc/29/37/75/185293775.db2.gz IUUZJELFJBDGMK-QWHCGFSZSA-N 1 0 303.387 2.031 10 0 DEAERO Cc1nc(-c2ccc(NC(=O)[C@H]3COC[C@H]3[NH3+])cc2)cs1 ZINC000090383769 185293845 /nfs/dbraw/zinc/29/38/45/185293845.db2.gz XRQXSSPUZHSRHB-QWHCGFSZSA-N 1 0 303.387 2.031 10 0 DEAERO C[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccc(Cl)c2cccnc21 ZINC000166692862 197697080 /nfs/dbraw/zinc/69/70/80/197697080.db2.gz BQHNTHKSSUTHHK-GOEBONIOSA-N 1 0 305.809 2.479 10 0 DEAERO CN(Cc1ccccc1Br)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606709 185306455 /nfs/dbraw/zinc/30/64/55/185306455.db2.gz CDLIXUITABDVTM-UONOGXRCSA-N 1 0 313.239 2.245 10 0 DEAERO C[C@]1(C(=O)Nc2ccccc2SC(F)F)COC[C@@H]1[NH3+] ZINC000090580449 185304748 /nfs/dbraw/zinc/30/47/48/185304748.db2.gz MLDGCCXMDSONKD-GWCFXTLKSA-N 1 0 302.346 2.304 10 0 DEAERO Cc1cc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])ccc1Br ZINC000090580520 185304787 /nfs/dbraw/zinc/30/47/87/185304787.db2.gz BVDHVVBTSSHWMF-WCQYABFASA-N 1 0 313.195 2.060 10 0 DEAERO CCC[NH2+][C@H](CSCC(=O)OC(C)(C)C)[C@@H]1CCOC1 ZINC000166928551 197701847 /nfs/dbraw/zinc/70/18/47/197701847.db2.gz FWCPIHDUHFYRGY-CHWSQXEVSA-N 1 0 303.468 2.466 10 0 DEAERO CCC[C@H](C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)[NH+](C)C ZINC000092426887 185317564 /nfs/dbraw/zinc/31/75/64/185317564.db2.gz CJOFKUXJNAKVHG-CQSZACIVSA-N 1 0 309.385 2.196 10 0 DEAERO CNc1nc(CN(C)C[C@@H]2CCC[N@@H+]2C)nc2sccc21 ZINC000092669279 185332892 /nfs/dbraw/zinc/33/28/92/185332892.db2.gz SNHWOBHWOIZUCH-NSHDSACASA-N 1 0 305.451 2.259 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ncc(Br)cc1N ZINC000092624252 185329689 /nfs/dbraw/zinc/32/96/89/185329689.db2.gz HTERWSMXVXKKSV-LLVKDONJSA-N 1 0 313.243 2.347 10 0 DEAERO CC[NH2+]Cc1ccc(SC[C@@H](O)CO)cc1C(F)(F)F ZINC000167592760 197711317 /nfs/dbraw/zinc/71/13/17/197711317.db2.gz AVUVADDXYLRLTI-JTQLQIEISA-N 1 0 309.353 2.260 10 0 DEAERO Cc1cc(C[NH3+])cc(S(=O)(=O)NC2C(C)(C)C2(C)C)c1C ZINC000092833233 185344967 /nfs/dbraw/zinc/34/49/67/185344967.db2.gz LYLVENFEEKEKCE-UHFFFAOYSA-N 1 0 310.463 2.475 10 0 DEAERO C[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1Sc1nccc(=O)[nH]1 ZINC000092911616 185348658 /nfs/dbraw/zinc/34/86/58/185348658.db2.gz TYRFZJVETISXJW-GXTWGEPZSA-N 1 0 303.387 2.168 10 0 DEAERO CC(C)[NH2+]Cc1ccc(F)c(S(=O)(=O)NC2(C)CC2)c1 ZINC000168534486 197725167 /nfs/dbraw/zinc/72/51/67/197725167.db2.gz WTPNIFDKBXAQPL-UHFFFAOYSA-N 1 0 300.399 2.155 10 0 DEAERO COC[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(F)c(F)c1 ZINC000181445039 199297528 /nfs/dbraw/zinc/29/75/28/199297528.db2.gz ORFWZVDVNZDUCX-IUODEOHRSA-N 1 0 317.376 2.418 10 0 DEAERO Brc1cccc(-n2cncc2[C@H]2C[NH2+]CCO2)c1 ZINC000097007298 185396770 /nfs/dbraw/zinc/39/67/70/185396770.db2.gz IONFRTKBYBAXAE-CYBMUJFWSA-N 1 0 308.179 2.296 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nnc(-c4ccccn4)s3)C[C@@H]21 ZINC000333574738 282960460 /nfs/dbraw/zinc/96/04/60/282960460.db2.gz SMGXPAVLTFKGSS-GRYCIOLGSA-N 1 0 301.419 2.164 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000188005674 282295712 /nfs/dbraw/zinc/29/57/12/282295712.db2.gz KPGHFRBRYHXQRK-ZBEGNZNMSA-N 1 0 312.360 2.386 10 0 DEAERO COc1ccc(Br)c(C[C@@]2(CO)CCC[NH2+]C2)c1 ZINC000097153696 185416690 /nfs/dbraw/zinc/41/66/90/185416690.db2.gz DWHSNRTWNZZEJU-AWEZNQCLSA-N 1 0 314.223 2.362 10 0 DEAERO COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183119988 199540969 /nfs/dbraw/zinc/54/09/69/199540969.db2.gz MCNVJFMSOAALKV-CXAGYDPISA-N 1 0 318.417 2.132 10 0 DEAERO CNC(=O)c1cccnc1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000302163228 529951886 /nfs/dbraw/zinc/95/18/86/529951886.db2.gz ILSVKWXOTFSTCM-RHSMWYFYSA-N 1 0 324.428 2.374 10 0 DEAERO C[NH+](C)CCNC(=O)c1ccn2cc(-c3ccccc3)nc2c1 ZINC000170559291 197779658 /nfs/dbraw/zinc/77/96/58/197779658.db2.gz HXKPFQCWZMWSCY-UHFFFAOYSA-N 1 0 308.385 2.293 10 0 DEAERO O=C(NCc1ccncc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107823799 185493297 /nfs/dbraw/zinc/49/32/97/185493297.db2.gz VBHJDPXFHVXUAP-MRXNPFEDSA-N 1 0 302.422 2.242 10 0 DEAERO O=C(Nc1ccccc1)c1ccc(=O)n(CC[NH+]2CCCC2)c1 ZINC000064760530 190704844 /nfs/dbraw/zinc/70/48/44/190704844.db2.gz JWLZMUPUJXRXNI-UHFFFAOYSA-N 1 0 311.385 2.196 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NC2CCC(C)CC2)[C@@H](C)C1 ZINC000245421428 282386629 /nfs/dbraw/zinc/38/66/29/282386629.db2.gz HYOJMIYMRBOKKW-ODZFXCKXSA-N 1 0 309.498 2.343 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)C[C@H](C)O1 ZINC000245501006 282392608 /nfs/dbraw/zinc/39/26/08/282392608.db2.gz BNDYGGWRJBTLBC-QDMKHBRRSA-N 1 0 320.433 2.313 10 0 DEAERO COC(=O)CC1(CC(=O)N[C@H](C)C2CC[NH+](C)CC2)CCCC1 ZINC000615565973 362642040 /nfs/dbraw/zinc/64/20/40/362642040.db2.gz ZSHMZJKANYJZFM-CQSZACIVSA-N 1 0 324.465 2.347 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)CCOCC(F)(F)F)CC1 ZINC000129871290 539491688 /nfs/dbraw/zinc/49/16/88/539491688.db2.gz OEBGNOBJULVTQG-UHFFFAOYSA-N 1 0 310.360 2.192 10 0 DEAERO Cc1nc(CN(C)C[C@@]2(C[NH2+]C3CC3)CCCOC2)cs1 ZINC000111326405 185583031 /nfs/dbraw/zinc/58/30/31/185583031.db2.gz YRWOBQKTFSIXQG-INIZCTEOSA-N 1 0 309.479 2.432 10 0 DEAERO [NH3+]CC[C@H]1CCCCN1c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000111375251 185590262 /nfs/dbraw/zinc/59/02/62/185590262.db2.gz RRSRGLBAILPDPA-LLVKDONJSA-N 1 0 318.389 2.391 10 0 DEAERO CC(C)n1c(Sc2ccc(F)cc2C[C@@H](C)[NH3+])n[nH]c1=O ZINC000111585966 185615105 /nfs/dbraw/zinc/61/51/05/185615105.db2.gz XHRKSPCXWLJGPG-SECBINFHSA-N 1 0 310.398 2.332 10 0 DEAERO [NH3+]C1CCC(OCCNC(=O)c2ccc(Cl)cc2F)CC1 ZINC000111790772 185637070 /nfs/dbraw/zinc/63/70/70/185637070.db2.gz SBCYAVCQCCPEIA-UHFFFAOYSA-N 1 0 314.788 2.495 10 0 DEAERO CCc1cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1C ZINC000181969111 199369187 /nfs/dbraw/zinc/36/91/87/199369187.db2.gz LQKUNWCUFZJSFC-LSDHHAIUSA-N 1 0 319.449 2.476 10 0 DEAERO CC(=O)NCCN(C)Cc1ccc(Br)c(F)c1F ZINC000625508341 365809440 /nfs/dbraw/zinc/80/94/40/365809440.db2.gz YUOLBZCJYMRYML-UHFFFAOYSA-N 1 0 321.165 2.295 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCCc2ccccn2)C1 ZINC000183344718 199579149 /nfs/dbraw/zinc/57/91/49/199579149.db2.gz KFYSFLFNEFFYIH-WBVHZDCISA-N 1 0 316.449 2.140 10 0 DEAERO c1ccc(-n2nnnc2CN2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000625771536 365895720 /nfs/dbraw/zinc/89/57/20/365895720.db2.gz NJRQGRRDYKEQTN-KGLIPLIRSA-N 1 0 301.419 2.132 10 0 DEAERO C[C@H](CC[NH+](C)C)NC(=O)c1cc(Br)ccc1N ZINC000123925146 185856886 /nfs/dbraw/zinc/85/68/86/185856886.db2.gz URAXNCSRNHXPAM-SECBINFHSA-N 1 0 314.227 2.101 10 0 DEAERO CCC[NH2+]C[C@@H](O)C[S@@](=O)c1cc(Cl)ccc1Cl ZINC000126662711 185882607 /nfs/dbraw/zinc/88/26/07/185882607.db2.gz OPEDGQLPFFFPIY-MGNBDDOMSA-N 1 0 310.246 2.462 10 0 DEAERO CCCS(=O)(=O)c1ccccc1N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000070178638 190869121 /nfs/dbraw/zinc/86/91/21/190869121.db2.gz VDHHTTMVJBLOTE-HIFRSBDPSA-N 1 0 310.463 2.434 10 0 DEAERO C[C@@H]1CC[C@H](C[NH3+])CN1CC(=O)Nc1ccc(F)cc1Cl ZINC000070182230 190869169 /nfs/dbraw/zinc/86/91/69/190869169.db2.gz DWVHEKRGILQJJR-GHMZBOCLSA-N 1 0 313.804 2.477 10 0 DEAERO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000170227608 539615032 /nfs/dbraw/zinc/61/50/32/539615032.db2.gz DPRZPAQTRDVXMS-BFYDXBDKSA-N 1 0 302.418 2.144 10 0 DEAERO [NH3+][C@@H]1CC(=O)N(C2CC2)[C@@H]1c1ccc(F)c(Br)c1 ZINC000070293901 190878576 /nfs/dbraw/zinc/87/85/76/190878576.db2.gz PPUHJZNRQPEYGZ-DGCLKSJQSA-N 1 0 313.170 2.351 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000070316341 190880763 /nfs/dbraw/zinc/88/07/63/190880763.db2.gz NLNDHPQKNWXVFM-LLVKDONJSA-N 1 0 315.870 2.173 10 0 DEAERO CCO[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]2(CCC[NH2+]C2)C1 ZINC000616579997 362894400 /nfs/dbraw/zinc/89/44/00/362894400.db2.gz SPDFFLGUNDBOGF-WMZOPIPTSA-N 1 0 302.418 2.194 10 0 DEAERO COC1CCC(CCNC(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC000333828281 282975078 /nfs/dbraw/zinc/97/50/78/282975078.db2.gz MBSJHLHAFKMTMI-UHFFFAOYSA-N 1 0 309.454 2.119 10 0 DEAERO O=C(NC1CC1)[C@]1(Cc2cccc(-c3cncnc3)c2)CCC[NH2+]1 ZINC000616575326 362893560 /nfs/dbraw/zinc/89/35/60/362893560.db2.gz JJRDVSYZEZUJDC-LJQANCHMSA-N 1 0 322.412 2.087 10 0 DEAERO CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000616632018 362902029 /nfs/dbraw/zinc/90/20/29/362902029.db2.gz LGMJCEOFMUPBHT-MRXNPFEDSA-N 1 0 319.449 2.375 10 0 DEAERO CCC[NH2+]C[C@H](O)C[S@@](=O)c1c(Cl)cccc1Cl ZINC000126989648 185910736 /nfs/dbraw/zinc/91/07/36/185910736.db2.gz RHUJBJCLXWXXAT-YYSFKGJASA-N 1 0 310.246 2.462 10 0 DEAERO CC(C)(C)OC(=O)Nc1ccc([C@H]2CN(CC[NH3+])CCO2)cc1 ZINC000616647696 362905167 /nfs/dbraw/zinc/90/51/67/362905167.db2.gz YPXZLGNJXXKOGV-OAHLLOKOSA-N 1 0 321.421 2.366 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cnn(CC2CC2)c1 ZINC000176382509 539626981 /nfs/dbraw/zinc/62/69/81/539626981.db2.gz NIRJEOFMCWQKFN-HNNXBMFYSA-N 1 0 305.426 2.241 10 0 DEAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000179178467 539639756 /nfs/dbraw/zinc/63/97/56/539639756.db2.gz JIAIZBOPQQDNPB-KGLIPLIRSA-N 1 0 303.324 2.066 10 0 DEAERO [NH3+]C1CCN(c2cc(-c3nc(-c4cccnc4)no3)ccn2)CC1 ZINC000070458225 190897590 /nfs/dbraw/zinc/89/75/90/190897590.db2.gz TYSKSJKGEUGTIX-UHFFFAOYSA-N 1 0 322.372 2.121 10 0 DEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@@H](C)c2nccs2)c1 ZINC000080343702 192150675 /nfs/dbraw/zinc/15/06/75/192150675.db2.gz CAUSGIGIURQSAH-ZJUUUORDSA-N 1 0 311.432 2.202 10 0 DEAERO C[C@H](C[NH2+]C[C@@H]1CCCO1)Oc1cncc(Br)c1 ZINC000070488222 190902845 /nfs/dbraw/zinc/90/28/45/190902845.db2.gz JLPZBYHAMDIWIR-PWSUYJOCSA-N 1 0 315.211 2.380 10 0 DEAERO C[NH2+][C@@H](c1cccc2c1OC(C)(C)C2)[C@@H]1CCS(=O)(=O)C1 ZINC000080507481 192164003 /nfs/dbraw/zinc/16/40/03/192164003.db2.gz YZLNFPCBGVIACZ-TZMCWYRMSA-N 1 0 309.431 2.095 10 0 DEAERO C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)[C@H]1CCCO1 ZINC000183098496 539659912 /nfs/dbraw/zinc/65/99/12/539659912.db2.gz BEMZAKXPUTXDQM-WCQYABFASA-N 1 0 319.430 2.416 10 0 DEAERO CCN(CC)C(=O)COc1ccc(C[NH3+])cc1Br ZINC000070579996 190908390 /nfs/dbraw/zinc/90/83/90/190908390.db2.gz FWKCBSWQQWJTLH-UHFFFAOYSA-N 1 0 315.211 2.155 10 0 DEAERO CCCC[NH2+]C[C@@H](C)n1cc(I)cn1 ZINC000070679204 190910989 /nfs/dbraw/zinc/91/09/89/190910989.db2.gz FSDHAFKIBGMVCY-SECBINFHSA-N 1 0 307.179 2.438 10 0 DEAERO CC(C)[NH2+]CCCCn1cc(I)cn1 ZINC000070678873 190911445 /nfs/dbraw/zinc/91/14/45/190911445.db2.gz QTMMQUGQCJSNPF-UHFFFAOYSA-N 1 0 307.179 2.266 10 0 DEAERO C[NH2+]C[C@H]1CCN(Cc2noc(-c3ccc(Cl)cc3)n2)C1 ZINC000071145573 190936706 /nfs/dbraw/zinc/93/67/06/190936706.db2.gz RRRDWELMPQNSFM-LLVKDONJSA-N 1 0 306.797 2.431 10 0 DEAERO C[NH2+]C[C@@H]1CCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000071143217 190935660 /nfs/dbraw/zinc/93/56/60/190935660.db2.gz AHYTTWVOAZXMNP-LURJTMIESA-N 1 0 308.250 2.064 10 0 DEAERO Cc1cc(Br)c([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)s1 ZINC000083677987 192377657 /nfs/dbraw/zinc/37/76/57/192377657.db2.gz NZEVHZNIEHTOPZ-IONNQARKSA-N 1 0 324.265 2.254 10 0 DEAERO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1nnc(C2CCC2)n1C ZINC000191672158 539702937 /nfs/dbraw/zinc/70/29/37/539702937.db2.gz ONRYRGTYEDDPRL-KRWDZBQOSA-N 1 0 306.454 2.456 10 0 DEAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000191155942 539698881 /nfs/dbraw/zinc/69/88/81/539698881.db2.gz ZPWFOBHAAINUEI-GJZGRUSLSA-N 1 0 316.445 2.416 10 0 DEAERO Cc1ccc([S@](=O)[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c(C)c1 ZINC000084000106 192395657 /nfs/dbraw/zinc/39/56/57/192395657.db2.gz GFIYXPNWHSZVSB-QDUSTFBWSA-N 1 0 309.431 2.034 10 0 DEAERO CC[NH2+][C@@H](C[S@](=O)C1CCOCC1)c1ccc(OC)cc1 ZINC000084055315 192397655 /nfs/dbraw/zinc/39/76/55/192397655.db2.gz BOJBRCCLLLIWDR-HRAATJIYSA-N 1 0 311.447 2.274 10 0 DEAERO C[NH2+][C@H](Cc1ncnn1C)c1cc(Br)cs1 ZINC000083974307 192393347 /nfs/dbraw/zinc/39/33/47/192393347.db2.gz RVFVZHWQCASWED-MRVPVSSYSA-N 1 0 301.213 2.142 10 0 DEAERO CCc1nn(C)c(C[C@@H](CSC)[NH2+]C)c1Br ZINC000084295940 192422223 /nfs/dbraw/zinc/42/22/23/192422223.db2.gz XNOCWUBTFYBKQJ-QMMMGPOBSA-N 1 0 306.273 2.239 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c(C)s1 ZINC000133492935 185989783 /nfs/dbraw/zinc/98/97/83/185989783.db2.gz PGXYYSAKYYQONN-LBPRGKRZSA-N 1 0 304.481 2.359 10 0 DEAERO Cc1nn(C)c(C)c1CCN1Cc2cc(F)cc(F)c2[C@@H]1C[NH3+] ZINC000071683260 191007421 /nfs/dbraw/zinc/00/74/21/191007421.db2.gz RWKRWWOLPZVIPM-INIZCTEOSA-N 1 0 320.387 2.373 10 0 DEAERO COc1ccc(Cl)c2c1CN(Cc1nccn1C)[C@@H]2C[NH3+] ZINC000071684013 191008994 /nfs/dbraw/zinc/00/89/94/191008994.db2.gz WYPPPKLATAKBAI-GFCCVEGCSA-N 1 0 306.797 2.098 10 0 DEAERO C[C@H](c1ccncc1)N1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000071700498 191009741 /nfs/dbraw/zinc/00/97/41/191009741.db2.gz YSJLLAZLSKLMOT-OAHLLOKOSA-N 1 0 324.428 2.059 10 0 DEAERO C[N@H+](C[C@H](c1cccs1)N1CCOCC1)[C@@H]1CCCC[C@H]1O ZINC000245697803 539757848 /nfs/dbraw/zinc/75/78/48/539757848.db2.gz XBJQEJMYUHEKBZ-BZUAXINKSA-N 1 0 324.490 2.357 10 0 DEAERO Cn1c(C[NH2+]C2CCCC2)nc2c1cccc2S(C)(=O)=O ZINC000138241065 186014700 /nfs/dbraw/zinc/01/47/00/186014700.db2.gz WDZWISUCAIWFAU-UHFFFAOYSA-N 1 0 307.419 2.009 10 0 DEAERO CN(C1CCCCC1)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138331932 186015810 /nfs/dbraw/zinc/01/58/10/186015810.db2.gz PNJGJGRTCSCJRG-UHFFFAOYSA-N 1 0 318.389 2.377 10 0 DEAERO CCN(C)S(=O)(=O)c1cc(C[NH2+]C(C)C)cc(F)c1F ZINC000138430573 186017173 /nfs/dbraw/zinc/01/71/73/186017173.db2.gz WIXOJYSCJRFNIA-UHFFFAOYSA-N 1 0 306.378 2.103 10 0 DEAERO CC(C)[C@@H](C)N(C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138523105 186017968 /nfs/dbraw/zinc/01/79/68/186017968.db2.gz RXDWVDUVWQHKQC-SECBINFHSA-N 1 0 306.378 2.089 10 0 DEAERO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)N[C@H]2CC[C@H](C)C2)c1 ZINC000139359031 186021607 /nfs/dbraw/zinc/02/16/07/186021607.db2.gz GDPVAFVAMWGQCG-ONGXEEELSA-N 1 0 318.389 2.151 10 0 DEAERO C[C@@H]1CCCCN1S(=O)(=O)Nc1cccc(CCC[NH3+])c1 ZINC000139531867 186023390 /nfs/dbraw/zinc/02/33/90/186023390.db2.gz DRJHCVIIWWADSE-CYBMUJFWSA-N 1 0 311.451 2.109 10 0 DEAERO Cc1ccc([C@H]2N[C@@H](C(C)C)C(=O)N2CCC[NH+](C)C)s1 ZINC000140466073 186026461 /nfs/dbraw/zinc/02/64/61/186026461.db2.gz LIMDZGNPJMIEOG-GJZGRUSLSA-N 1 0 309.479 2.463 10 0 DEAERO CNC(=O)c1cc(NC(=O)CC2(C[NH3+])CCC2)ccc1Cl ZINC000147814413 186042087 /nfs/dbraw/zinc/04/20/87/186042087.db2.gz FCFBANGNRSWGSN-UHFFFAOYSA-N 1 0 309.797 2.157 10 0 DEAERO Cc1ccc(C[NH2+]C(C)C)cc1S(=O)(=O)NCC(F)F ZINC000148171005 186042864 /nfs/dbraw/zinc/04/28/64/186042864.db2.gz IVLZYGMDBUHFKZ-UHFFFAOYSA-N 1 0 306.378 2.036 10 0 DEAERO CCc1ccc(S(=O)(=O)NCC(F)F)cc1C[NH2+]C1CC1 ZINC000148191742 186043810 /nfs/dbraw/zinc/04/38/10/186043810.db2.gz CDNOXTYEWKGMOW-UHFFFAOYSA-N 1 0 318.389 2.044 10 0 DEAERO C[NH2+][C@@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@]1(C)CCCCO1 ZINC000148234854 186044011 /nfs/dbraw/zinc/04/40/11/186044011.db2.gz ITBSGQAZJXDZRM-CBBWQLFWSA-N 1 0 303.468 2.137 10 0 DEAERO Cc1ccc([C@@H]2NCC(=O)N2C[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000143218891 186033269 /nfs/dbraw/zinc/03/32/69/186033269.db2.gz WCTIVLFPJZJOCB-XJKSGUPXSA-N 1 0 307.463 2.217 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](C)C(=O)N2C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000144209917 186035327 /nfs/dbraw/zinc/03/53/27/186035327.db2.gz ZKWNESKGACEZGO-UMVBOHGHSA-N 1 0 307.463 2.217 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(C)C2CCC2)ccc1F ZINC000144664969 186035571 /nfs/dbraw/zinc/03/55/71/186035571.db2.gz SMIVLTQNLYOHAW-UHFFFAOYSA-N 1 0 300.399 2.108 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N(C)C2CCC2)cc(F)c1Cl ZINC000144662573 186035853 /nfs/dbraw/zinc/03/58/53/186035853.db2.gz FGRDMCHKRPNBCB-UHFFFAOYSA-N 1 0 320.817 2.372 10 0 DEAERO Cc1ccc([C@@H]2NCC(=O)N2C[C@H](C)[NH+]2CCCCC2)s1 ZINC000145700441 186038073 /nfs/dbraw/zinc/03/80/73/186038073.db2.gz OYPVRGSOEGRIGV-BLLLJJGKSA-N 1 0 307.463 2.361 10 0 DEAERO CCC(CC)C[C@@H](C[NH2+]CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000149093039 186047843 /nfs/dbraw/zinc/04/78/43/186047843.db2.gz ADXLIAZEFBNPKF-CABCVRRESA-N 1 0 305.484 2.100 10 0 DEAERO O=C(c1ccc(-n2cccn2)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000149151984 186047980 /nfs/dbraw/zinc/04/79/80/186047980.db2.gz BOIDKKNJVXFISN-UHFFFAOYSA-N 1 0 310.401 2.183 10 0 DEAERO COc1cccc(CC[NH3+])c1OCc1cn2ccsc2n1 ZINC000149277623 186049099 /nfs/dbraw/zinc/04/90/99/186049099.db2.gz YQSNQPYPVZZORP-UHFFFAOYSA-N 1 0 303.387 2.485 10 0 DEAERO C[C@H](CS(=O)(=O)N1[C@@H](C[NH3+])CCC[C@@H]1C)c1ccccc1 ZINC000149507667 186050696 /nfs/dbraw/zinc/05/06/96/186050696.db2.gz NDDITCUWGQPLSC-IJEWVQPXSA-N 1 0 310.463 2.322 10 0 DEAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)c2C)[C@@H](C)C1 ZINC000248675578 539775148 /nfs/dbraw/zinc/77/51/48/539775148.db2.gz YHVZWZMAAIBREG-WMLDXEAASA-N 1 0 321.465 2.200 10 0 DEAERO COc1ccc(Br)c(C[C@@](O)(C[NH3+])C(C)C)c1 ZINC000150055189 186054054 /nfs/dbraw/zinc/05/40/54/186054054.db2.gz GYPJSAIUTUMMPK-CYBMUJFWSA-N 1 0 302.212 2.346 10 0 DEAERO CCC[C@](O)(C[NH3+])Cc1cc(Br)ccc1OC ZINC000150006188 186054060 /nfs/dbraw/zinc/05/40/60/186054060.db2.gz ANPCMJQSEDZAGW-CYBMUJFWSA-N 1 0 302.212 2.490 10 0 DEAERO C[C@H](C[NH3+])CC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000150016047 186054194 /nfs/dbraw/zinc/05/41/94/186054194.db2.gz YJPJDWBXFWVCNP-NSHDSACASA-N 1 0 315.870 2.031 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000150200564 186055351 /nfs/dbraw/zinc/05/53/51/186055351.db2.gz BTJIMJMANPMYQZ-JSGCOSHPSA-N 1 0 316.854 2.080 10 0 DEAERO COc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c(OC)c1 ZINC000155824491 186115860 /nfs/dbraw/zinc/11/58/60/186115860.db2.gz JZXSSNUQUJDGGR-DOMZBBRYSA-N 1 0 306.406 2.162 10 0 DEAERO COCCn1ncc(Br)c1[C@@](F)(C[NH3+])C(C)C ZINC000164027085 186146431 /nfs/dbraw/zinc/14/64/31/186146431.db2.gz GENXEHBUSQQVAZ-LLVKDONJSA-N 1 0 308.195 2.072 10 0 DEAERO CCn1ncc(Br)c1[C@@](C)(F)C[C@H]1COCC[NH2+]1 ZINC000164056131 186147127 /nfs/dbraw/zinc/14/71/27/186147127.db2.gz SJWIZJQLLMYXHX-CABZTGNLSA-N 1 0 320.206 2.229 10 0 DEAERO CC[NH2+]CCS(=O)(=O)Nc1cc(C)ccc1Br ZINC000164071072 186147628 /nfs/dbraw/zinc/14/76/28/186147628.db2.gz AAFQRUOXTSABMY-UHFFFAOYSA-N 1 0 321.240 2.109 10 0 DEAERO CC(C)Cn1ncc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1C1CC1 ZINC000155870896 186119690 /nfs/dbraw/zinc/11/96/90/186119690.db2.gz CSVUBHBMIKUVTP-AWEZNQCLSA-N 1 0 304.438 2.193 10 0 DEAERO COc1ccccc1[S@@](=O)CCOc1ccc(C[NH3+])cc1 ZINC000155895061 186121449 /nfs/dbraw/zinc/12/14/49/186121449.db2.gz LKLBBPJMIDHMLY-OAQYLSRUSA-N 1 0 305.399 2.341 10 0 DEAERO CCNS(=O)(=O)c1ccccc1N[C@](C)(C[NH3+])CC(C)C ZINC000155922460 186123679 /nfs/dbraw/zinc/12/36/79/186123679.db2.gz LNGMVJVHNAUIJH-HNNXBMFYSA-N 1 0 313.467 2.160 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1ccc(Br)c(C)c1 ZINC000159556506 186127092 /nfs/dbraw/zinc/12/70/92/186127092.db2.gz UIWUDOXZBWUXFI-LBPRGKRZSA-N 1 0 315.211 2.450 10 0 DEAERO COCCC[C@@H]([NH3+])C(=O)Nc1ccc(F)cc1Br ZINC000159595495 186129466 /nfs/dbraw/zinc/12/94/66/186129466.db2.gz SQJOWCFWXZWRAM-SNVBAGLBSA-N 1 0 319.174 2.281 10 0 DEAERO COc1ccc(Br)c(C[NH2+]C[C@H](C)[S@@](C)=O)c1 ZINC000159623352 186131292 /nfs/dbraw/zinc/13/12/92/186131292.db2.gz KCZAUBXTMHGTEV-XYZCENFISA-N 1 0 320.252 2.314 10 0 DEAERO COc1ccc(Br)c(C[NH2+]C[C@@H](C)[S@@](C)=O)c1 ZINC000159623477 186131517 /nfs/dbraw/zinc/13/15/17/186131517.db2.gz KCZAUBXTMHGTEV-XLFHBGCDSA-N 1 0 320.252 2.314 10 0 DEAERO O=C(Nc1ccccc1C(F)(F)F)OC[C@@H]1C[NH2+]CCO1 ZINC000164142138 186150052 /nfs/dbraw/zinc/15/00/52/186150052.db2.gz FWPKZTKNKUQCLL-VIFPVBQESA-N 1 0 304.268 2.242 10 0 DEAERO COCCC[C@H]([NH3+])C(=O)Nc1cc(Br)ccc1C ZINC000159691012 186135546 /nfs/dbraw/zinc/13/55/46/186135546.db2.gz FRNFFOAQUMTDEL-NSHDSACASA-N 1 0 315.211 2.450 10 0 DEAERO CCOC(=O)NCC[NH2+]Cc1csc(Br)c1 ZINC000163928952 186143060 /nfs/dbraw/zinc/14/30/60/186143060.db2.gz WRWBDDVJMAEDDL-UHFFFAOYSA-N 1 0 307.213 2.346 10 0 DEAERO COc1ccc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000173285094 186172296 /nfs/dbraw/zinc/17/22/96/186172296.db2.gz KNGPVWPRSCSODL-GOEBONIOSA-N 1 0 319.449 2.362 10 0 DEAERO C[C@@H]([NH3+])Cc1cn(Cc2ncnn2C)c2cc(Cl)ccc12 ZINC000164149860 186150791 /nfs/dbraw/zinc/15/07/91/186150791.db2.gz WSVDSVVNXSIDJY-SNVBAGLBSA-N 1 0 303.797 2.361 10 0 DEAERO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000164321707 186155713 /nfs/dbraw/zinc/15/57/13/186155713.db2.gz RLCZBHHEYUVWKA-ZKANADHPSA-N 1 0 308.216 2.445 10 0 DEAERO CC[C@H]([NH3+])Cc1ccc(N2CCS(=O)CC2)c(Cl)c1 ZINC000164354224 186156381 /nfs/dbraw/zinc/15/63/81/186156381.db2.gz NEITVGBZVVMNTI-LBPRGKRZSA-N 1 0 300.855 2.189 10 0 DEAERO Cc1ccc(Br)c(-n2nnnc2C[NH2+]CC(C)C)c1 ZINC000164341918 186157164 /nfs/dbraw/zinc/15/71/64/186157164.db2.gz HCQCZXVKZQNOFI-UHFFFAOYSA-N 1 0 324.226 2.479 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000164367239 186157290 /nfs/dbraw/zinc/15/72/90/186157290.db2.gz IOCRIFOCIRIODZ-WCBMZHEXSA-N 1 0 300.200 2.366 10 0 DEAERO C[C@H](C(=O)N(C)Cc1csc(Br)c1)C1C[NH2+]C1 ZINC000164458077 186159264 /nfs/dbraw/zinc/15/92/64/186159264.db2.gz SEMXOUIWRRPISJ-QMMMGPOBSA-N 1 0 317.252 2.325 10 0 DEAERO [NH3+]C/C=C/CNC(=O)c1cc(Br)ccc1Cl ZINC000164474663 186159345 /nfs/dbraw/zinc/15/93/45/186159345.db2.gz VLHUVYZVPRLCDX-OWOJBTEDSA-N 1 0 303.587 2.347 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(N(C)C)n1 ZINC000181931303 186220338 /nfs/dbraw/zinc/22/03/38/186220338.db2.gz HVFNRSOJYZLYRW-CYBMUJFWSA-N 1 0 305.426 2.144 10 0 DEAERO CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2cccs2)CC1 ZINC000183892556 186228290 /nfs/dbraw/zinc/22/82/90/186228290.db2.gz YKBGZLUNWVWYLB-UHFFFAOYSA-N 1 0 316.430 2.172 10 0 DEAERO CCCCN(C(=O)[C@@H]1CNC(=O)C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000110713774 282712660 /nfs/dbraw/zinc/71/26/60/282712660.db2.gz IKRJKVCDWRSMOH-ZDUSSCGKSA-N 1 0 323.481 2.060 10 0 DEAERO COC(=O)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000171893957 198003113 /nfs/dbraw/zinc/00/31/13/198003113.db2.gz UFGIOOJMFUESCY-AWEZNQCLSA-N 1 0 317.389 2.094 10 0 DEAERO O=C(NCCc1ccc(Cl)s1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171902593 198005413 /nfs/dbraw/zinc/00/54/13/198005413.db2.gz XORXYLFQFJLKPS-LLVKDONJSA-N 1 0 313.854 2.434 10 0 DEAERO CC(C)n1ccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000172014854 198026391 /nfs/dbraw/zinc/02/63/91/198026391.db2.gz XDSGAEALFXYBMS-GOSISDBHSA-N 1 0 319.497 2.066 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc(F)cc1F ZINC000172060048 198032677 /nfs/dbraw/zinc/03/26/77/198032677.db2.gz HZNWHOACKRLUGN-WCQYABFASA-N 1 0 310.344 2.039 10 0 DEAERO Cc1nc(-c2ccncc2)nc(N2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000172068371 198033904 /nfs/dbraw/zinc/03/39/04/198033904.db2.gz PUSSLLKNXUAXNX-MRXNPFEDSA-N 1 0 309.417 2.440 10 0 DEAERO CN1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C1=O ZINC000172087577 198037282 /nfs/dbraw/zinc/03/72/82/198037282.db2.gz BJJPUHXRDYITGS-STQMWFEESA-N 1 0 309.207 2.257 10 0 DEAERO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)C12CCC2 ZINC000333876599 282984004 /nfs/dbraw/zinc/98/40/04/282984004.db2.gz VNOMDKWFKSILCH-HZSPNIEDSA-N 1 0 304.438 2.264 10 0 DEAERO C[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1cccs1 ZINC000172603384 198122943 /nfs/dbraw/zinc/12/29/43/198122943.db2.gz DNHDHKWEEJCXIE-JTQLQIEISA-N 1 0 323.443 2.486 10 0 DEAERO COCCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000172617187 198125054 /nfs/dbraw/zinc/12/50/54/198125054.db2.gz QNVHCVQVBHYKLC-GDBMZVCRSA-N 1 0 320.433 2.267 10 0 DEAERO Cc1oc2nc(C[N@@H+](CCO)[C@H]3CC[C@@H](C)C3)nc(N)c2c1C ZINC000329851436 539931059 /nfs/dbraw/zinc/93/10/59/539931059.db2.gz QTRLMEXKNNPIFI-MFKMUULPSA-N 1 0 318.421 2.405 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173271455 198204701 /nfs/dbraw/zinc/20/47/01/198204701.db2.gz FLALDZYDLPFBNV-HUUCEWRRSA-N 1 0 310.463 2.407 10 0 DEAERO O=C(Nc1ccc([C@@H]2CCOC2)cc1)N[C@@H]1CCCC[NH2+]C1 ZINC000333258820 539953482 /nfs/dbraw/zinc/95/34/82/539953482.db2.gz DQOHYVXIAWCRBD-GDBMZVCRSA-N 1 0 303.406 2.454 10 0 DEAERO CNc1cc(N2CCC[C@H]2CNC(=O)/C=C/C(C)(C)C)ncn1 ZINC000173437642 198214655 /nfs/dbraw/zinc/21/46/55/198214655.db2.gz CKUOUSFTEXLDJC-GWJCSSMESA-N 1 0 317.437 2.206 10 0 DEAERO Cc1cc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)ccc1F ZINC000173615516 198232880 /nfs/dbraw/zinc/23/28/80/198232880.db2.gz METMXFCVDPKTSR-HNNXBMFYSA-N 1 0 303.381 2.290 10 0 DEAERO C[C@](O)(C[NH2+][C@@H](CC(N)=O)C1CCCCC1)c1ccccc1 ZINC000182061667 199381009 /nfs/dbraw/zinc/38/10/09/199381009.db2.gz SEWOMOPRHPJWTG-WMZOPIPTSA-N 1 0 304.434 2.308 10 0 DEAERO Cc1cccc(C)c1NCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000173744460 198247440 /nfs/dbraw/zinc/24/74/40/198247440.db2.gz HFXHHJPOKKFCLX-JKSUJKDBSA-N 1 0 301.434 2.410 10 0 DEAERO C[C@@H]1CC[C@H](C)CN1C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000173837517 198258895 /nfs/dbraw/zinc/25/88/95/198258895.db2.gz URGXFCFIHCDKEY-QWHCGFSZSA-N 1 0 315.417 2.218 10 0 DEAERO COCc1nc2n(n1)C[C@H]([NH2+]C[C@H](C)Cc1ccccc1)CC2 ZINC000182069400 199382155 /nfs/dbraw/zinc/38/21/55/199382155.db2.gz VDGRMQNSYVUSCO-GDBMZVCRSA-N 1 0 314.433 2.208 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC000174120550 198294200 /nfs/dbraw/zinc/29/42/00/198294200.db2.gz MBXQVSJGYKVPKG-YPMHNXCESA-N 1 0 310.829 2.359 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1Oc2ccccc2[C@H]1C ZINC000261957975 299203593 /nfs/dbraw/zinc/20/35/93/299203593.db2.gz RHXPGGNUIUNOMI-RMRKRWHISA-N 1 0 314.429 2.446 10 0 DEAERO CCc1c(Cl)nc(C)nc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000174684280 198370377 /nfs/dbraw/zinc/37/03/77/198370377.db2.gz ULUBCIUIPYVUSL-LBPRGKRZSA-N 1 0 312.845 2.260 10 0 DEAERO COc1cccc(NC(=O)CCN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000174788886 198385289 /nfs/dbraw/zinc/38/52/89/198385289.db2.gz OILFLNJJMAEPBI-GDBMZVCRSA-N 1 0 317.433 2.192 10 0 DEAERO CCCCNC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000003601817 353992389 /nfs/dbraw/zinc/99/23/89/353992389.db2.gz PJWYGCSRBKHVRE-HNNXBMFYSA-N 1 0 323.437 2.346 10 0 DEAERO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)NC(=O)NCC(F)(F)F ZINC000007588425 354003819 /nfs/dbraw/zinc/00/38/19/354003819.db2.gz PLJKDJJXFLRQDB-MNOVXSKESA-N 1 0 321.343 2.029 10 0 DEAERO CCCCCC(=O)NC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000028264345 354100081 /nfs/dbraw/zinc/10/00/81/354100081.db2.gz SSJXDSZSOGYJMJ-CVEARBPZSA-N 1 0 322.449 2.101 10 0 DEAERO CCCCNC(=O)C[C@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000041536457 354175341 /nfs/dbraw/zinc/17/53/41/354175341.db2.gz AWXYJLLVZZVKAK-CQSZACIVSA-N 1 0 306.406 2.197 10 0 DEAERO c1ccc2c(c1)Cc1ccccc1-n1c-2nnc1N1CC[NH2+]CC1 ZINC000004654917 181132830 /nfs/dbraw/zinc/13/28/30/181132830.db2.gz GXFWOMYQHNODFA-UHFFFAOYSA-N 1 0 317.396 2.248 10 0 in-vivo DEAERO Cc1nnc(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000056557299 354537095 /nfs/dbraw/zinc/53/70/95/354537095.db2.gz JSJWHZHKPLKIKM-UHFFFAOYSA-N 1 0 309.439 2.186 10 0 DEAERO COC(=O)CCCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000070884850 354889442 /nfs/dbraw/zinc/88/94/42/354889442.db2.gz NBEAIADLSCDQCZ-INIZCTEOSA-N 1 0 318.417 2.111 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000070950223 354892707 /nfs/dbraw/zinc/89/27/07/354892707.db2.gz LWEOOCFULVHZEM-QGZVFWFLSA-N 1 0 304.434 2.272 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCc1ccccc1OC ZINC000074498754 355033635 /nfs/dbraw/zinc/03/36/35/355033635.db2.gz WBUUVPQIJVNNFH-INIZCTEOSA-N 1 0 319.449 2.363 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(O)(CC)CC1 ZINC000075859110 355110006 /nfs/dbraw/zinc/11/00/06/355110006.db2.gz XUWMSTYWZXATFM-UHFFFAOYSA-N 1 0 304.434 2.272 10 0 DEAERO Cc1cc(CC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000073728280 191347734 /nfs/dbraw/zinc/34/77/34/191347734.db2.gz KIUYXMFURMNBBZ-UHFFFAOYSA-N 1 0 305.353 2.043 10 0 DEAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000090796359 355566888 /nfs/dbraw/zinc/56/68/88/355566888.db2.gz MWBQIEFJUXJOBV-RDBSUJKOSA-N 1 0 302.484 2.072 10 0 DEAERO C[NH2+]CCCOc1cc([N+](=O)[O-])ccc1-n1cnc(Cl)c1 ZINC000113674272 355759959 /nfs/dbraw/zinc/75/99/59/355759959.db2.gz QKTPDZFKDNXBIN-UHFFFAOYSA-N 1 0 310.741 2.422 10 0 DEAERO CC[C@@H](CC[NH3+])CCC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000079207286 191940457 /nfs/dbraw/zinc/94/04/57/191940457.db2.gz BMIVGQUBQMWBKX-GFCCVEGCSA-N 1 0 312.435 2.184 10 0 DEAERO CCNC(=O)NC(=O)[C@H](C)Sc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000079579259 191952018 /nfs/dbraw/zinc/95/20/18/191952018.db2.gz HJQYAOWXUXFZGW-MNOVXSKESA-N 1 0 309.435 2.293 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2CCOC)C12CCCC2 ZINC000181675322 356089456 /nfs/dbraw/zinc/08/94/56/356089456.db2.gz UZOYKQDEXIICLT-GVDBMIGSSA-N 1 0 310.482 2.425 10 0 DEAERO CCCC(=O)N[C@H]1CCC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000181676682 356090899 /nfs/dbraw/zinc/09/08/99/356090899.db2.gz AIWMVAMMTWRITH-AWEZNQCLSA-N 1 0 312.454 2.489 10 0 DEAERO Cc1ccn2ncc(C(=O)NCC[C@H](C)[NH+]3CCCCC3)c2n1 ZINC000183126855 356160795 /nfs/dbraw/zinc/16/07/95/356160795.db2.gz XYSIOLVERAIRSD-AWEZNQCLSA-N 1 0 315.421 2.032 10 0 DEAERO CCOc1cccnc1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183151796 356161694 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C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248573236 356323109 /nfs/dbraw/zinc/32/31/09/356323109.db2.gz MREDBSQATAGTIX-MGPQQGTHSA-N 1 0 302.484 2.072 10 0 DEAERO c1sc(-c2ccccc2)nc1C[NH2+]CCN1CCOCC1 ZINC000236705299 356291528 /nfs/dbraw/zinc/29/15/28/356291528.db2.gz BZWWAHIKCKIBRV-UHFFFAOYSA-N 1 0 303.431 2.232 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)C2CCCC2)C1 ZINC000246347747 356313231 /nfs/dbraw/zinc/31/32/31/356313231.db2.gz JNTLNQZGYCXTDT-ZBFHGGJFSA-N 1 0 311.470 2.221 10 0 DEAERO COC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(N)c2)C1 ZINC000081042233 192219459 /nfs/dbraw/zinc/21/94/59/192219459.db2.gz LAUBLNLRBJDLPT-QWRGUYRKSA-N 1 0 311.813 2.218 10 0 DEAERO Cc1cnn(CC[NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000400392788 283156493 /nfs/dbraw/zinc/15/64/93/283156493.db2.gz ISWDPOOZBQCTNN-CABCVRRESA-N 1 0 322.453 2.427 10 0 DEAERO C[C@H](CCCO)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400397933 283156578 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CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCn2cnnc2C1 ZINC000081531072 192284993 /nfs/dbraw/zinc/28/49/93/192284993.db2.gz MGZYNJPYAMJEJU-RNCFNFMXSA-N 1 0 311.842 2.287 10 0 DEAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000236936261 202080338 /nfs/dbraw/zinc/08/03/38/202080338.db2.gz BBIUYQABKCXAKX-BUXKBTBVSA-N 1 0 302.827 2.284 10 0 DEAERO CC[C@H]1CC[C@@H](NS(=O)(=O)Cc2cccc(C[NH3+])c2)[C@@H]1C ZINC000086091467 192548459 /nfs/dbraw/zinc/54/84/59/192548459.db2.gz ATLSTWOOEXEULZ-UHOFOFEASA-N 1 0 310.463 2.389 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000390714313 356709590 /nfs/dbraw/zinc/70/95/90/356709590.db2.gz BRCLIOKOPCSQEY-JKSUJKDBSA-N 1 0 304.434 2.488 10 0 DEAERO Brc1cccc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404040304 356730882 /nfs/dbraw/zinc/73/08/82/356730882.db2.gz AUGHSUDASURWLE-ZIAGYGMSSA-N 1 0 311.223 2.012 10 0 DEAERO Brc1ccc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)cc1 ZINC000404064907 356731804 /nfs/dbraw/zinc/73/18/04/356731804.db2.gz JKBOJESEVASRLX-ZIAGYGMSSA-N 1 0 311.223 2.012 10 0 DEAERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCC3)CC2)c1 ZINC000393192659 356712630 /nfs/dbraw/zinc/71/26/30/356712630.db2.gz WFGTWTLTDLFLER-UHFFFAOYSA-N 1 0 319.361 2.056 10 0 DEAERO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCOC2)c1 ZINC000177926627 198789678 /nfs/dbraw/zinc/78/96/78/198789678.db2.gz ZNKWCMADHBAHDB-CHWSQXEVSA-N 1 0 322.405 2.190 10 0 DEAERO CC[C@@](C)([NH3+])C(=O)Nc1ccccc1I ZINC000086801631 192600076 /nfs/dbraw/zinc/60/00/76/192600076.db2.gz MPMSIHKAVRDACE-LLVKDONJSA-N 1 0 318.158 2.357 10 0 DEAERO C[C@@H]1CCC[C@](C[NH3+])(N2CCN(CC(F)(F)F)CC2)CC1 ZINC000086890563 192601085 /nfs/dbraw/zinc/60/10/85/192601085.db2.gz OOWFZXTUXOPVNK-KGLIPLIRSA-N 1 0 307.404 2.464 10 0 DEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000086978454 192605802 /nfs/dbraw/zinc/60/58/02/192605802.db2.gz JIPJVVUXHREVBU-ZDUSSCGKSA-N 1 0 315.435 2.179 10 0 DEAERO CC[C@@H]1CN(Cc2nc(-c3ccoc3)no2)C[C@]2(CCOC2)O1 ZINC000579906080 357047939 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COc1ccc([C@@H]([NH2+]C2CCN(C(N)=O)CC2)C2CC2)cc1 ZINC000178465740 198872311 /nfs/dbraw/zinc/87/23/11/198872311.db2.gz QZIIIBAICYAADC-INIZCTEOSA-N 1 0 303.406 2.279 10 0 DEAERO COc1ccc(OC)c(C[NH2+]Cc2ccc(CC(N)=O)cc2)c1 ZINC000589639253 357484890 /nfs/dbraw/zinc/48/48/90/357484890.db2.gz SVATYJJJOBMTLL-UHFFFAOYSA-N 1 0 314.385 2.021 10 0 DEAERO CCC(=O)N[C@H](C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590716970 357590906 /nfs/dbraw/zinc/59/09/06/357590906.db2.gz OQBYRWPBZKZRBJ-HZPDHXFCSA-N 1 0 323.481 2.016 10 0 DEAERO Cc1ccccc1SCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449719269 283277635 /nfs/dbraw/zinc/27/76/35/283277635.db2.gz LBNUKNQGWNFAMI-LLVKDONJSA-N 1 0 306.353 2.483 10 0 DEAERO CN(CC(=O)N1CCCC[C@H]1C[NH+](C)C)c1ccc(Cl)cn1 ZINC000591202428 357689571 /nfs/dbraw/zinc/68/95/71/357689571.db2.gz PEKOYRSYUNUROE-AWEZNQCLSA-N 1 0 324.856 2.114 10 0 DEAERO COc1ccc(C[C@H](C)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000179342986 199018811 /nfs/dbraw/zinc/01/88/11/199018811.db2.gz YVUOMNVHYPYFHC-GOEBONIOSA-N 1 0 302.418 2.180 10 0 DEAERO CC(C)(C)NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179750522 199076211 /nfs/dbraw/zinc/07/62/11/199076211.db2.gz RNFGJBUQJZILEM-QGZVFWFLSA-N 1 0 318.417 2.413 10 0 DEAERO Cc1cccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1F ZINC000180001163 199105037 /nfs/dbraw/zinc/10/50/37/199105037.db2.gz IDWXXJGPHWITPM-ZDUSSCGKSA-N 1 0 309.385 2.102 10 0 DEAERO C[C@H](CCCc1ccccc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000180107243 199117162 /nfs/dbraw/zinc/11/71/62/199117162.db2.gz DJFGAENQYBSSQO-WBVHZDCISA-N 1 0 304.434 2.092 10 0 DEAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]nc3c2)[C@@H]1c1ccccc1 ZINC000180111996 199118314 /nfs/dbraw/zinc/11/83/14/199118314.db2.gz UGEMDDGGBMVQOV-WBVHZDCISA-N 1 0 321.384 2.133 10 0 DEAERO CC1(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000180580993 199180067 /nfs/dbraw/zinc/18/00/67/199180067.db2.gz WELXFSWXNYNGIP-KRWDZBQOSA-N 1 0 313.445 2.281 10 0 DEAERO CC[C@@H](CSC)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000180555609 199175307 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C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000186675625 199989747 /nfs/dbraw/zinc/98/97/47/199989747.db2.gz PRTLYYWFFKMYKV-BONVTDFDSA-N 1 0 318.808 2.458 10 0 DEAERO Cn1ccnc1COc1ccc(C[N@H+](C)CC2(CO)CC2)cc1 ZINC000186784857 200010750 /nfs/dbraw/zinc/01/07/50/200010750.db2.gz GOUSZFYPYPXWPT-UHFFFAOYSA-N 1 0 315.417 2.203 10 0 DEAERO C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1nccs1 ZINC000186998001 200045674 /nfs/dbraw/zinc/04/56/74/200045674.db2.gz IIEIEXAHELYGTR-JHJVBQTASA-N 1 0 308.451 2.125 10 0 DEAERO COC(=O)c1ccccc1CC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000187049437 200052539 /nfs/dbraw/zinc/05/25/39/200052539.db2.gz PEDABGMTLYIKAM-HNNXBMFYSA-N 1 0 313.401 2.239 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)c2ccncc2OC)C1 ZINC000187198718 200076219 /nfs/dbraw/zinc/07/62/19/200076219.db2.gz BEZLUBWXMFCBCI-KGLIPLIRSA-N 1 0 320.437 2.277 10 0 DEAERO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1coc(C[NH3+])c1 ZINC000187644032 200139314 /nfs/dbraw/zinc/13/93/14/200139314.db2.gz GZTFKKODSXSKMY-WBMJQRKESA-N 1 0 300.358 2.341 10 0 DEAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000187896884 200173089 /nfs/dbraw/zinc/17/30/89/200173089.db2.gz AQNCPPLGKJQLGC-BZNIZROVSA-N 1 0 312.360 2.386 10 0 DEAERO Cc1nccnc1[C@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000187915168 200175950 /nfs/dbraw/zinc/17/59/50/200175950.db2.gz WZMTWHNGESGSRI-NSHDSACASA-N 1 0 302.344 2.462 10 0 DEAERO CCOC(C)(C)CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000188391974 200239097 /nfs/dbraw/zinc/23/90/97/200239097.db2.gz LFRVFPWSJIHNBW-UHFFFAOYSA-N 1 0 308.422 2.172 10 0 DEAERO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)C1CC[NH2+]CC1 ZINC000237732070 202341404 /nfs/dbraw/zinc/34/14/04/202341404.db2.gz PAOOHYBDJFQOGU-CQSZACIVSA-N 1 0 307.825 2.035 10 0 DEAERO Cc1cc(Oc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)n[nH]1 ZINC000237867340 202374244 /nfs/dbraw/zinc/37/42/44/202374244.db2.gz IRXWFKHKRKJXIB-UHFFFAOYSA-N 1 0 300.362 2.449 10 0 DEAERO CC(=O)CCC(C)(C)C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627740121 366606930 /nfs/dbraw/zinc/60/69/30/366606930.db2.gz CKGYDBQRKCURQJ-UHFFFAOYSA-N 1 0 324.465 2.095 10 0 DEAERO CC(=O)Nc1ccc(C)c(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c1 ZINC000188917290 200321347 /nfs/dbraw/zinc/32/13/47/200321347.db2.gz JANBWXPVDDNTCB-BETUJISGSA-N 1 0 303.406 2.118 10 0 DEAERO COC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)C(C)C ZINC000189049599 200341577 /nfs/dbraw/zinc/34/15/77/200341577.db2.gz BOCQSVCFEHJZCS-JKSUJKDBSA-N 1 0 308.397 2.187 10 0 DEAERO CO[C@H]1C[N@H+](Cc2cc(=O)oc3cc(O)ccc23)CC[C@H]1C ZINC000189253113 200370794 /nfs/dbraw/zinc/37/07/94/200370794.db2.gz RFLUKCCTVPFSAF-BZNIZROVSA-N 1 0 303.358 2.355 10 0 DEAERO CO[C@H]1C[N@H+](CCC(=O)Nc2cc(N)ccc2F)CC[C@@H]1C ZINC000189270687 200373598 /nfs/dbraw/zinc/37/35/98/200373598.db2.gz YJXKGKIIQPWROW-NHYWBVRUSA-N 1 0 309.385 2.093 10 0 DEAERO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000516787299 283523730 /nfs/dbraw/zinc/52/37/30/283523730.db2.gz JOEMMTZILFNPOI-CVEARBPZSA-N 1 0 308.447 2.263 10 0 DEAERO CO[C@@H]1C[N@H+](CC(=O)NCc2ccc(C)c(F)c2)CC[C@@H]1C ZINC000189371808 200389206 /nfs/dbraw/zinc/38/92/06/200389206.db2.gz XQJZQZXMURRIMP-XJKSGUPXSA-N 1 0 308.397 2.107 10 0 DEAERO c1c(C[C@H]2CC[NH2+]C2)nnn1CCSCc1ccccc1 ZINC000603228397 360756647 /nfs/dbraw/zinc/75/66/47/360756647.db2.gz HTDBXAQAIXRSLJ-OAHLLOKOSA-N 1 0 302.447 2.364 10 0 DEAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cn1ncc2ccccc21 ZINC000605516812 360974865 /nfs/dbraw/zinc/97/48/65/360974865.db2.gz GFCHOBWZMKRNRF-HNNXBMFYSA-N 1 0 300.406 2.027 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)c1ccccc1OC1CCC1 ZINC000605331902 360961454 /nfs/dbraw/zinc/96/14/54/360961454.db2.gz OIUSZTQRPRBVMI-UHFFFAOYSA-N 1 0 311.385 2.277 10 0 DEAERO COc1ccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c(C)c1 ZINC000607821102 361114119 /nfs/dbraw/zinc/11/41/19/361114119.db2.gz CFUCLVMUEXJHOD-UHFFFAOYSA-N 1 0 302.378 2.014 10 0 DEAERO CC(C)[N@H+](C)CC(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000608206565 361184380 /nfs/dbraw/zinc/18/43/80/361184380.db2.gz YEFDHELIYRISDR-MRXNPFEDSA-N 1 0 314.433 2.160 10 0 DEAERO O[C@@H](CN1CC[NH+](C[C@H]2CCC=CO2)CC1)c1ccccc1 ZINC000193898935 201142547 /nfs/dbraw/zinc/14/25/47/201142547.db2.gz STOBBRIWARSHJX-MSOLQXFVSA-N 1 0 302.418 2.030 10 0 DEAERO C[C@H](CCO)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000090740043 192926208 /nfs/dbraw/zinc/92/62/08/192926208.db2.gz GTFYHWCCEAPYPO-ZIAGYGMSSA-N 1 0 300.443 2.242 10 0 DEAERO COCC[NH2+]Cc1cccc(SC[C@H](O)C(F)(F)F)c1 ZINC000090873170 192940336 /nfs/dbraw/zinc/94/03/36/192940336.db2.gz JYTWPPWFABUCLK-LBPRGKRZSA-N 1 0 309.353 2.438 10 0 DEAERO Cc1nc2c(s1)[C@H]([NH2+]CC1CCS(=O)(=O)CC1)CCC2 ZINC000090882485 192941734 /nfs/dbraw/zinc/94/17/34/192941734.db2.gz XNPUESOBZJWROZ-GFCCVEGCSA-N 1 0 314.476 2.243 10 0 DEAERO CCc1nc(CCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cs1 ZINC000247183020 202651204 /nfs/dbraw/zinc/65/12/04/202651204.db2.gz LBKPSQPCQBGRQU-OCCSQVGLSA-N 1 0 322.478 2.126 10 0 DEAERO [NH3+]Cc1ccn(CC(=O)Nc2ccc(Br)cc2)c1 ZINC000090995229 192969750 /nfs/dbraw/zinc/96/97/50/192969750.db2.gz BAWWQYSYCPUEJD-UHFFFAOYSA-N 1 0 308.179 2.348 10 0 DEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc([C@H]3C[C@H]3C)o2)CC12COC2 ZINC000449361710 240391308 /nfs/dbraw/zinc/39/13/08/240391308.db2.gz JQFZUDFTOFPPNN-SNPRPXQTSA-N 1 0 319.401 2.415 10 0 DEAERO Cc1cc(C[NH2+]C[C@@H]2COCCN2C)ccc1Br ZINC000623711368 365139427 /nfs/dbraw/zinc/13/94/27/365139427.db2.gz CHCWHIAMJWEVGL-CYBMUJFWSA-N 1 0 313.239 2.178 10 0 DEAERO CN(Cc1ccc(Cl)s1)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321252 193040625 /nfs/dbraw/zinc/04/06/25/193040625.db2.gz PPYUKZAXFBHLEP-JTQLQIEISA-N 1 0 317.886 2.465 10 0 DEAERO C[NH2+][C@@H](Cc1ncnn1C)c1cc(F)cc(Br)c1 ZINC000091331021 193042687 /nfs/dbraw/zinc/04/26/87/193042687.db2.gz FCGUNJBMDVBDIB-NSHDSACASA-N 1 0 313.174 2.220 10 0 DEAERO CO[C@H](C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)(C)C ZINC000091350125 193044724 /nfs/dbraw/zinc/04/47/24/193044724.db2.gz OGBJXBGYILJCKG-BXUZGUMPSA-N 1 0 314.451 2.046 10 0 DEAERO NC(=O)c1ccsc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360566 193045989 /nfs/dbraw/zinc/04/59/89/193045989.db2.gz DWYXFQZWRYIACT-DLOVCJGASA-N 1 0 307.419 2.096 10 0 DEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)C(CC)(CC)N(C)C ZINC000091615161 193079822 /nfs/dbraw/zinc/07/98/22/193079822.db2.gz ZAIVJPHVZQTGKH-CQSZACIVSA-N 1 0 306.516 2.300 10 0 DEAERO CC[C@](C)([C@@H](O)Cc1c(Br)c(C)nn1C)[NH+](C)C ZINC000091569495 193074152 /nfs/dbraw/zinc/07/41/52/193074152.db2.gz ARJDBEGWPYODDW-WCQYABFASA-N 1 0 318.259 2.125 10 0 DEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(Br)c(C)n1 ZINC000091507090 193065962 /nfs/dbraw/zinc/06/59/62/193065962.db2.gz AIFHSVBGHPKRAB-CPCISQLKSA-N 1 0 300.200 2.464 10 0 DEAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1F)[C@H]1CN(C)CCO1 ZINC000091719380 193096614 /nfs/dbraw/zinc/09/66/14/193096614.db2.gz PXIQDLOKVMJUOR-DOMZBBRYSA-N 1 0 302.340 2.475 10 0 DEAERO C[NH2+][C@H](Cc1cc(Br)ccc1OC)CN(C)C ZINC000091719671 193096926 /nfs/dbraw/zinc/09/69/26/193096926.db2.gz DWLIBNLVQBXITD-GFCCVEGCSA-N 1 0 301.228 2.150 10 0 DEAERO C[NH2+][C@@H](Cc1cc(Br)ccc1OC)CN(C)C ZINC000091719670 193097088 /nfs/dbraw/zinc/09/70/88/193097088.db2.gz DWLIBNLVQBXITD-LBPRGKRZSA-N 1 0 301.228 2.150 10 0 DEAERO CC[NH2+][C@H](Cc1cc(Cl)ccc1OC)[C@@H]1CN(C)CCO1 ZINC000091718299 193097389 /nfs/dbraw/zinc/09/73/89/193097389.db2.gz VLEQITVDWZVVTO-ZBFHGGJFSA-N 1 0 312.841 2.200 10 0 DEAERO O=c1cc(C[NH2+]C[C@@H](O)c2ccccc2)[nH]c2ccc(F)cc12 ZINC000091738553 193100173 /nfs/dbraw/zinc/10/01/73/193100173.db2.gz MGZGZPCJEFBYAB-GOSISDBHSA-N 1 0 312.344 2.490 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1C ZINC000624393024 365407532 /nfs/dbraw/zinc/40/75/32/365407532.db2.gz HTPVONCQRZEJLW-NWDGAFQWSA-N 1 0 302.827 2.067 10 0 DEAERO CCS(=O)(=O)c1ccc(N(C)C2CCC([NH2+]C)CC2)cc1 ZINC000091870872 193121246 /nfs/dbraw/zinc/12/12/46/193121246.db2.gz JYENDTCBBBNBPW-UHFFFAOYSA-N 1 0 310.463 2.447 10 0 DEAERO COc1ccc([C@H](O)C2(C[NH3+])CCOCC2)c(Cl)c1OC ZINC000091912695 193124976 /nfs/dbraw/zinc/12/49/76/193124976.db2.gz ZDEFBLJGHDYVNG-AWEZNQCLSA-N 1 0 315.797 2.146 10 0 DEAERO CCCC1CCC(C[NH3+])([C@]2(O)CCC[C@@H]2S(C)(=O)=O)CC1 ZINC000091922109 193126788 /nfs/dbraw/zinc/12/67/88/193126788.db2.gz GRAHJYNZUMTMDO-GRAKBVBRSA-N 1 0 317.495 2.250 10 0 DEAERO Brc1cn2c(C[NH2+]Cc3ccncc3)cnc2cn1 ZINC000092049096 193148738 /nfs/dbraw/zinc/14/87/38/193148738.db2.gz QAVDNXDMDXGKQP-UHFFFAOYSA-N 1 0 318.178 2.177 10 0 DEAERO Brc1cnccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000629534672 367238609 /nfs/dbraw/zinc/23/86/09/367238609.db2.gz BHSMDELYMMTURF-CQSZACIVSA-N 1 0 310.239 2.420 10 0 DEAERO CC(=O)N1CC[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)c2ccccc2C1 ZINC000629543336 367241973 /nfs/dbraw/zinc/24/19/73/367241973.db2.gz YRZGSXWLWVUFJZ-SKDZVZGDSA-N 1 0 301.434 2.210 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)c2cccc(C(F)(F)F)n2)CC1 ZINC000450617698 242027807 /nfs/dbraw/zinc/02/78/07/242027807.db2.gz DAFJJBUEWMXRER-UHFFFAOYSA-N 1 0 313.323 2.482 10 0 DEAERO CO[C@@H]1CN(Cc2ccccc2Br)[C@](C)(C[NH3+])C1 ZINC000630365873 367613361 /nfs/dbraw/zinc/61/33/61/367613361.db2.gz ZHWZLFRGDVYIAY-JSGCOSHPSA-N 1 0 313.239 2.387 10 0 DEAERO Cc1cc(Br)cnc1NCC1([NH3+])CCOCC1 ZINC000630523751 367705521 /nfs/dbraw/zinc/70/55/21/367705521.db2.gz BPGDARNZEXYHFI-UHFFFAOYSA-N 1 0 300.200 2.072 10 0 DEAERO C[C@H]1CN(c2ccnc3cc(Br)cnc32)C[C@@H]1C[NH3+] ZINC000630553682 367724175 /nfs/dbraw/zinc/72/41/75/367724175.db2.gz KXVQZVBCEFUBOG-UWVGGRQHSA-N 1 0 321.222 2.423 10 0 DEAERO [NH3+]CCCOCCNc1ncc(Cl)cc1Br ZINC000630534591 367712581 /nfs/dbraw/zinc/71/25/81/367712581.db2.gz NHZRVFRLYSAZPH-UHFFFAOYSA-N 1 0 308.607 2.275 10 0 DEAERO C[C@H]1C[N@@H+](C2CCN(Cc3cnn(C(C)(C)C)c3)CC2)CCO1 ZINC000092091162 193156117 /nfs/dbraw/zinc/15/61/17/193156117.db2.gz YFGIJBGRCRLAER-HNNXBMFYSA-N 1 0 320.481 2.323 10 0 DEAERO CC[NH2+]Cc1sc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)cc1C ZINC000092113397 193161073 /nfs/dbraw/zinc/16/10/73/193161073.db2.gz HKTMERJABUGVOL-TXEJJXNPSA-N 1 0 316.492 2.443 10 0 DEAERO CCCN(C(C)C)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115608 193163008 /nfs/dbraw/zinc/16/30/08/193163008.db2.gz IFIDIMIZCJTALU-UHFFFAOYSA-N 1 0 302.415 2.354 10 0 DEAERO Cc1ccccc1N(C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116034 193163962 /nfs/dbraw/zinc/16/39/62/193163962.db2.gz KKZMIXNZOXCGTP-UHFFFAOYSA-N 1 0 308.378 2.418 10 0 DEAERO COc1ccc(C[NH2+]CC[C@@H](O)C(F)F)c(Cl)c1OC ZINC000631217945 368084836 /nfs/dbraw/zinc/08/48/36/368084836.db2.gz YJLSKQZBVUZILO-SECBINFHSA-N 1 0 309.740 2.463 10 0 DEAERO c1nc2c(ncnc2N2CC([NH+]3CCCC3)C2)n1-c1ccccc1 ZINC000631354117 368170241 /nfs/dbraw/zinc/17/02/41/368170241.db2.gz WIQILFRSWJPNQM-UHFFFAOYSA-N 1 0 320.400 2.100 10 0 DEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)cc2)C1 ZINC000092202814 193172945 /nfs/dbraw/zinc/17/29/45/193172945.db2.gz VGLRZTFMYRDONZ-ZJUUUORDSA-N 1 0 300.280 2.470 10 0 DEAERO CC(=O)c1cccc(NC(=O)CN2CCCCC[C@H]([NH3+])C2)c1 ZINC000631831334 368409138 /nfs/dbraw/zinc/40/91/38/368409138.db2.gz ASFAZXWTGVKMLM-HNNXBMFYSA-N 1 0 303.406 2.031 10 0 DEAERO c1csc(-c2noc(CN3CCC[C@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000631886947 368443210 /nfs/dbraw/zinc/44/32/10/368443210.db2.gz NGELGFRNJVFWGT-NWDGAFQWSA-N 1 0 304.419 2.372 10 0 DEAERO Brc1cncc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890146 368445759 /nfs/dbraw/zinc/44/57/59/368445759.db2.gz PAVYSCGIXOVPTH-GXTWGEPZSA-N 1 0 310.239 2.418 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888460 368445922 /nfs/dbraw/zinc/44/59/22/368445922.db2.gz ZNBJMRKBLQSZCH-ROUUACIJSA-N 1 0 315.461 2.109 10 0 DEAERO Cc1cccc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)c1F ZINC000631961286 368467897 /nfs/dbraw/zinc/46/78/97/368467897.db2.gz KOOAHGYSCXJOTJ-GFCCVEGCSA-N 1 0 300.399 2.026 10 0 DEAERO c1c(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)nnn1CC1CC1 ZINC000451626426 243222582 /nfs/dbraw/zinc/22/25/82/243222582.db2.gz KRDCBIQTSXUSHR-SJORKVTESA-N 1 0 316.449 2.469 10 0 DEAERO C[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1C[NH3+] ZINC000253195196 202875156 /nfs/dbraw/zinc/87/51/56/202875156.db2.gz RFRHUVXWVHTYLG-GHMZBOCLSA-N 1 0 318.389 2.104 10 0 DEAERO C[C@H](C(N)=S)[NH+]1CCN(C[C@H]2CSc3ccccc32)CC1 ZINC000092275972 193184001 /nfs/dbraw/zinc/18/40/01/193184001.db2.gz PGDWAQYGVHFONO-OLZOCXBDSA-N 1 0 321.515 2.168 10 0 DEAERO C[C@H](O)C1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000092970729 193190343 /nfs/dbraw/zinc/19/03/43/193190343.db2.gz SOYLCSBBAPTYNM-ZDUSSCGKSA-N 1 0 300.406 2.075 10 0 DEAERO CCC[NH2+]Cc1c(N(CC)CC(C)(C)O)nc2sccn12 ZINC000092971226 193190918 /nfs/dbraw/zinc/19/09/18/193190918.db2.gz TZCMJAQXVJBYCC-UHFFFAOYSA-N 1 0 310.467 2.493 10 0 DEAERO CCc1ccc(C(C)(C)CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261816636 203124242 /nfs/dbraw/zinc/12/42/42/203124242.db2.gz HQOFJNUZSKCEQK-CVEARBPZSA-N 1 0 304.434 2.149 10 0 DEAERO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000261950354 203158948 /nfs/dbraw/zinc/15/89/48/203158948.db2.gz PNDLFQYGHIKRPA-MFKMUULPSA-N 1 0 317.216 2.065 10 0 DEAERO O=C(CC/C=C\c1ccccc1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452362147 244193916 /nfs/dbraw/zinc/19/39/16/244193916.db2.gz KNEVOTWQDYHFRL-BQTUVJDFSA-N 1 0 316.445 2.443 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000262297141 203253988 /nfs/dbraw/zinc/25/39/88/203253988.db2.gz JIBCGCKFPRPJEM-PBHICJAKSA-N 1 0 307.438 2.440 10 0 DEAERO C[S@@](=O)Cc1cc(NC(=O)[C@H]2CCCC[NH2+]2)ccc1Cl ZINC000262483916 203305028 /nfs/dbraw/zinc/30/50/28/203305028.db2.gz SYSKLFROWSSISX-ZUOKHONESA-N 1 0 314.838 2.299 10 0 DEAERO C[C@@H]1CCN(C(=O)C[C@H]2COCC[NH2+]2)[C@H]1c1cccc(F)c1 ZINC000262549569 203327110 /nfs/dbraw/zinc/32/71/10/203327110.db2.gz OLXFVTJXPVOWQO-ISTRZQFTSA-N 1 0 306.381 2.114 10 0 DEAERO [NH3+][C@@H]1CC[C@H](OCC(=O)Nc2ccc(Br)cc2)C1 ZINC000093216642 193217544 /nfs/dbraw/zinc/21/75/44/193217544.db2.gz SYAWUTIDDLLLEC-PWSUYJOCSA-N 1 0 313.195 2.284 10 0 DEAERO CC(C)NS(=O)(=O)c1ccccc1O[C@H]1CCC[C@H]([NH3+])C1 ZINC000093219730 193218212 /nfs/dbraw/zinc/21/82/12/193218212.db2.gz POPOXSLJIKUPJD-STQMWFEESA-N 1 0 312.435 2.022 10 0 DEAERO NC(=O)c1ccc(O[C@H]2CCC[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000093219486 193218400 /nfs/dbraw/zinc/21/84/00/193218400.db2.gz UHGZCPGRNOPDQZ-IUCAKERBSA-N 1 0 302.296 2.453 10 0 DEAERO [NH2+]=C1NC[C@@H](c2cccc(Br)c2)N1C[C@H]1CCCO1 ZINC000093377899 193240876 /nfs/dbraw/zinc/24/08/76/193240876.db2.gz NHMIHBAHQAVKNK-OLZOCXBDSA-N 1 0 324.222 2.300 10 0 DEAERO COCCOc1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000093437341 193251118 /nfs/dbraw/zinc/25/11/18/193251118.db2.gz VOWWVHVTFPRQPP-DOTOQJQBSA-N 1 0 304.434 2.380 10 0 DEAERO Cn1cc([C@@H]2CNC(=[NH2+])N2c2ccc(Br)cc2)cn1 ZINC000093387046 193242223 /nfs/dbraw/zinc/24/22/23/193242223.db2.gz OYESPPSIIJJPNW-LBPRGKRZSA-N 1 0 320.194 2.059 10 0 DEAERO C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(S(C)(=O)=O)nc1 ZINC000093514964 193263234 /nfs/dbraw/zinc/26/32/34/193263234.db2.gz WFFARQHKAORRGK-STQMWFEESA-N 1 0 311.451 2.208 10 0 DEAERO CC[NH2+][C@@]1(CO)CCC[C@H]1CCSc1nnc(C)s1 ZINC000093622998 193275208 /nfs/dbraw/zinc/27/52/08/193275208.db2.gz HEAKIQYJFHTICM-WCQYABFASA-N 1 0 301.481 2.469 10 0 DEAERO CC[NH2+][C@]1(CO)CCC[C@H]1CCn1cc(C(F)(F)F)cn1 ZINC000093618555 193275306 /nfs/dbraw/zinc/27/53/06/193275306.db2.gz SVJCPJOCFRRDSA-AAEUAGOBSA-N 1 0 305.344 2.433 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1nncs1 ZINC000093629400 193276525 /nfs/dbraw/zinc/27/65/25/193276525.db2.gz CXYDGUDXVJORJV-ZWNOBZJWSA-N 1 0 314.480 2.044 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1ccccc1OC ZINC000093630004 193276883 /nfs/dbraw/zinc/27/68/83/193276883.db2.gz RZYLEGRCMAXPDZ-MLGOLLRUSA-N 1 0 308.447 2.421 10 0 DEAERO CC1CCC(CC[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093696980 193291719 /nfs/dbraw/zinc/29/17/19/193291719.db2.gz ILYLRGFLBLWRPC-GPANFISMSA-N 1 0 316.511 2.464 10 0 DEAERO Cc1cc([C@@H]([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)ccc1F ZINC000093700054 193293838 /nfs/dbraw/zinc/29/38/38/193293838.db2.gz UMZHIXIQKYBZFR-DOMZBBRYSA-N 1 0 314.426 2.196 10 0 DEAERO CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)CC(C)(C)C ZINC000093700323 193293935 /nfs/dbraw/zinc/29/39/35/193293935.db2.gz FFXRZTNUGAFDRI-KBPBESRZSA-N 1 0 304.500 2.462 10 0 DEAERO Cc1ccc([C@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1F ZINC000093699865 193294044 /nfs/dbraw/zinc/29/40/44/193294044.db2.gz LKGXIOZGPZKXIY-SWLSCSKDSA-N 1 0 314.426 2.196 10 0 DEAERO Cc1ccc(F)cc1[C@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700199 193294177 /nfs/dbraw/zinc/29/41/77/193294177.db2.gz PNLHCTZGRHKSDA-IUODEOHRSA-N 1 0 314.426 2.196 10 0 DEAERO CCC[C@H](C[NH2+]C1CC1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701379 193295106 /nfs/dbraw/zinc/29/51/06/193295106.db2.gz WKSYJSYZFRFGNB-KBPBESRZSA-N 1 0 302.484 2.216 10 0 DEAERO CCC[NH2+]C[C@](C)(CC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701548 193295121 /nfs/dbraw/zinc/29/51/21/193295121.db2.gz DEPQSNZGUHNGRU-LSDHHAIUSA-N 1 0 304.500 2.464 10 0 DEAERO CC(C)C[NH2+]CC/C=C/C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093703154 193295515 /nfs/dbraw/zinc/29/55/15/193295515.db2.gz QMPXNKKEJCUMHE-RGDDUWESSA-N 1 0 302.484 2.240 10 0 DEAERO CS(=O)(=O)N1CCC[C@@H](CC2(C[NH3+])CCCCCC2)C1 ZINC000093702780 193295544 /nfs/dbraw/zinc/29/55/44/193295544.db2.gz KPDVFWQVZAVTTQ-AWEZNQCLSA-N 1 0 302.484 2.347 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093777609 193304442 /nfs/dbraw/zinc/30/44/42/193304442.db2.gz YFNKPTJRHLNQOK-BONVTDFDSA-N 1 0 304.419 2.041 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093777611 193304834 /nfs/dbraw/zinc/30/48/34/193304834.db2.gz YFNKPTJRHLNQOK-BMIGLBTASA-N 1 0 304.419 2.041 10 0 DEAERO COC(=O)[C@@]1([NH3+])CCC[C@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093777621 193305052 /nfs/dbraw/zinc/30/50/52/193305052.db2.gz YVOCPADVFKGUKU-ZUZCIYMTSA-N 1 0 305.403 2.468 10 0 DEAERO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc2c1OCCO2 ZINC000093644089 193281992 /nfs/dbraw/zinc/28/19/92/193281992.db2.gz YEAFUPZMNRWXJN-HIFRSBDPSA-N 1 0 320.433 2.381 10 0 DEAERO C[NH2+][C@@H](Cc1cc(F)cc(Br)c1)[C@H]1COCCO1 ZINC000094000201 193337950 /nfs/dbraw/zinc/33/79/50/193337950.db2.gz JFDSYRIQLYNDPH-QWHCGFSZSA-N 1 0 318.186 2.134 10 0 DEAERO COc1c(C)cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1C ZINC000093817568 193312463 /nfs/dbraw/zinc/31/24/63/193312463.db2.gz UUPINJNZIMLDON-QGZVFWFLSA-N 1 0 318.461 2.466 10 0 DEAERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3ccnn3C)C2)c1 ZINC000093838060 193314434 /nfs/dbraw/zinc/31/44/34/193314434.db2.gz KCWKAJMYSPHCHN-ZDUSSCGKSA-N 1 0 301.390 2.427 10 0 DEAERO CCCN[C@@]1(C(=O)OC)CC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093831863 193315069 /nfs/dbraw/zinc/31/50/69/193315069.db2.gz GOLDLXKAIDQKKJ-AAEUAGOBSA-N 1 0 310.360 2.335 10 0 DEAERO COc1ccc(S[C@@H]2CC[C@@]([NH2+]C3CC3)(C(N)=O)C2)cc1 ZINC000093850427 193317686 /nfs/dbraw/zinc/31/76/86/193317686.db2.gz WCPPGQJVGDICTO-ZBFHGGJFSA-N 1 0 306.431 2.316 10 0 DEAERO C[NH2+][C@@]1(CO)CC[C@@H](Sc2ccc(Br)cn2)C1 ZINC000093861022 193320057 /nfs/dbraw/zinc/32/00/57/193320057.db2.gz GJKLJZIEXWZOTN-PWSUYJOCSA-N 1 0 317.252 2.439 10 0 DEAERO CN(CC(C)(C)C[NH3+])c1ccc(C(F)(F)F)cc1C(N)=O ZINC000093874564 193322078 /nfs/dbraw/zinc/32/20/78/193322078.db2.gz DQABTDPYTCDUGF-UHFFFAOYSA-N 1 0 303.328 2.225 10 0 DEAERO CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CN(C)CCN1C ZINC000093895865 193325143 /nfs/dbraw/zinc/32/51/43/193325143.db2.gz WCZXVTQCXRCCQW-DLBZAZTESA-N 1 0 309.885 2.497 10 0 DEAERO C[NH2+][C@H](c1cccc(C(F)(F)F)c1)[C@H]1CN(C)CCN1C ZINC000093894383 193325161 /nfs/dbraw/zinc/32/51/61/193325161.db2.gz TUTNGVHBTVLJPB-ZIAGYGMSSA-N 1 0 301.356 2.212 10 0 DEAERO O[C@H](Cc1nc2ccccc2s1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094251006 193355514 /nfs/dbraw/zinc/35/55/14/193355514.db2.gz VOWAHRICGYPVGI-MRVWCRGKSA-N 1 0 304.415 2.063 10 0 DEAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1CN(C)CCS(C)(=O)=O ZINC000094300361 193358084 /nfs/dbraw/zinc/35/80/84/193358084.db2.gz FRQCNHYBZPSSAN-LSDHHAIUSA-N 1 0 318.527 2.157 10 0 DEAERO CCN(CC)C(=O)COc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350028 193363663 /nfs/dbraw/zinc/36/36/63/193363663.db2.gz HYSULSLTTYTZAT-JTQLQIEISA-N 1 0 300.349 2.102 10 0 DEAERO CC[NH2+]Cc1cc(F)c(OCC(=O)N[C@H](C)CC)c(F)c1 ZINC000094347054 193363698 /nfs/dbraw/zinc/36/36/98/193363698.db2.gz FQJQOKSXMMLMPI-SNVBAGLBSA-N 1 0 300.349 2.368 10 0 DEAERO C[NH2+]Cc1cc(F)c(OCC(=O)N[C@H](C)C(C)C)c(F)c1 ZINC000094346654 193363825 /nfs/dbraw/zinc/36/38/25/193363825.db2.gz JGYGGVLRVLXGAW-SNVBAGLBSA-N 1 0 300.349 2.224 10 0 DEAERO CC(C)(C)[NH2+]Cc1cc(F)c(OCCS(C)(=O)=O)c(F)c1 ZINC000094347751 193363830 /nfs/dbraw/zinc/36/38/30/193363830.db2.gz CTPWCGWXKWZZCV-UHFFFAOYSA-N 1 0 321.389 2.276 10 0 DEAERO Cc1ccc(S(=O)(=O)N(CC2CC[NH2+]CC2)C2CC2)s1 ZINC000094024197 193340190 /nfs/dbraw/zinc/34/01/90/193340190.db2.gz CRBGADIULPXNLW-UHFFFAOYSA-N 1 0 314.476 2.209 10 0 DEAERO Nc1cc(Br)ccc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000094047799 193341615 /nfs/dbraw/zinc/34/16/15/193341615.db2.gz ADXBPJZDXMPGDG-LBPRGKRZSA-N 1 0 310.239 2.358 10 0 DEAERO Cc1cc(NC(=O)c2cc[nH+]c(NN)c2)ncc1Br ZINC000094064448 193343595 /nfs/dbraw/zinc/34/35/95/193343595.db2.gz HOAMBTREEAUTGH-UHFFFAOYSA-N 1 0 322.166 2.085 10 0 DEAERO CC(C)([C@@H]([NH3+])c1ccc(F)c(Br)c1)S(C)(=O)=O ZINC000094095672 193344722 /nfs/dbraw/zinc/34/47/22/193344722.db2.gz WDSIOXPQVSBFOY-JTQLQIEISA-N 1 0 324.215 2.411 10 0 DEAERO CC[C@](C)([NH3+])C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000094234378 193352869 /nfs/dbraw/zinc/35/28/69/193352869.db2.gz MBEIIGMILSZGRP-AWEZNQCLSA-N 1 0 315.870 2.173 10 0 DEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1cccc(F)c1 ZINC000094624792 193385483 /nfs/dbraw/zinc/38/54/83/193385483.db2.gz RMIQSBUAELYIJK-HOTGVXAUSA-N 1 0 305.374 2.485 10 0 DEAERO Cn1ncc2c1nc(CSc1cccc(F)c1)[nH+]c2NN ZINC000094624619 193385506 /nfs/dbraw/zinc/38/55/06/193385506.db2.gz ZGRMETIVMZJORI-UHFFFAOYSA-N 1 0 304.354 2.080 10 0 DEAERO CCOc1cc(C[NH3+])cc(Br)c1O[C@H](C)[C@@H](C)O ZINC000094653080 193391061 /nfs/dbraw/zinc/39/10/61/193391061.db2.gz LOBUMVYYDJLYEP-RKDXNWHRSA-N 1 0 318.211 2.455 10 0 DEAERO COC(=O)C[C@H](NC(=O)[C@@H](C[NH3+])CC(C)C)c1cccs1 ZINC000094697888 193391443 /nfs/dbraw/zinc/39/14/43/193391443.db2.gz YYRXMAPNECZSLF-NEPJUHHUSA-N 1 0 312.435 2.090 10 0 DEAERO CC(C)C[C@H](C[NH3+])C(=O)N1CCN(Cc2cccs2)CC1 ZINC000094698362 193391756 /nfs/dbraw/zinc/39/17/56/193391756.db2.gz JCOVZSCJQUHDCS-CQSZACIVSA-N 1 0 309.479 2.013 10 0 DEAERO CNC(=O)c1cc(NC(=O)[C@@H](C[NH3+])CC(C)C)ccc1Cl ZINC000094698242 193391824 /nfs/dbraw/zinc/39/18/24/193391824.db2.gz NZKKZQRXSKHXKO-SNVBAGLBSA-N 1 0 311.813 2.259 10 0 DEAERO CCOC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094410632 193368586 /nfs/dbraw/zinc/36/85/86/193368586.db2.gz NKEUQDQOOPWLRA-KGLIPLIRSA-N 1 0 313.463 2.459 10 0 DEAERO CC[C@@]1(C)CN(CCCS(C)(=O)=O)c2ccccc2C[NH2+]1 ZINC000094421566 193368617 /nfs/dbraw/zinc/36/86/17/193368617.db2.gz XJPVEMTUPSBTRA-INIZCTEOSA-N 1 0 310.463 2.200 10 0 DEAERO CCOC(=O)C[N@H+](C1CC1)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094410618 193368628 /nfs/dbraw/zinc/36/86/28/193368628.db2.gz OJVIIOKSWMJFRH-CQSZACIVSA-N 1 0 313.463 2.459 10 0 DEAERO CC(C)C[NH2+]Cc1ncnn1[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000094412856 193368714 /nfs/dbraw/zinc/36/87/14/193368714.db2.gz UKNGFLRGWCTHFT-UKRRQHHQSA-N 1 0 310.467 2.251 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCS[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000094476344 193372533 /nfs/dbraw/zinc/37/25/33/193372533.db2.gz LABVMHCFWMJEOU-MISXGVKJSA-N 1 0 314.476 2.269 10 0 DEAERO CN(c1nc(Br)cn2ccnc12)[C@@H]1CCC[N@H+](C)C1 ZINC000094490483 193373803 /nfs/dbraw/zinc/37/38/03/193373803.db2.gz CKFSIXFSNOAFCJ-SNVBAGLBSA-N 1 0 324.226 2.022 10 0 DEAERO C[NH2+][C@@H]([C@@H]1CSCCO1)[C@H]1CCOC2(CCSCC2)C1 ZINC000094503133 193374426 /nfs/dbraw/zinc/37/44/26/193374426.db2.gz NRYIBCCGAWSOBA-MELADBBJSA-N 1 0 317.520 2.399 10 0 DEAERO C[C@]12CC3CC(NS(=O)(=O)CCCC[NH3+])(C1)C[C@@](C)(C3)C2 ZINC000094544499 193378533 /nfs/dbraw/zinc/37/85/33/193378533.db2.gz TYJGMNSQODPPIR-IRHLINNNSA-N 1 0 314.495 2.394 10 0 DEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(Br)cc2F)C1 ZINC000094549381 193378946 /nfs/dbraw/zinc/37/89/46/193378946.db2.gz PJLDWBYKMBGQMM-WCBMZHEXSA-N 1 0 315.186 2.398 10 0 DEAERO C[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000094550164 193378953 /nfs/dbraw/zinc/37/89/53/193378953.db2.gz VAHBGWZOGWTKFU-DOMZBBRYSA-N 1 0 304.415 2.198 10 0 DEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)Cc2cccc(Br)c2)C1 ZINC000094549431 193379010 /nfs/dbraw/zinc/37/90/10/193379010.db2.gz ZRSGPVHYHQSMLC-GWCFXTLKSA-N 1 0 311.223 2.187 10 0 DEAERO CCC[NH2+][C@@H](Cc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000094713260 193392927 /nfs/dbraw/zinc/39/29/27/193392927.db2.gz QRKVPPXFLKQCIR-OCCSQVGLSA-N 1 0 317.401 2.310 10 0 DEAERO CNc1c(C(=O)NC[C@@H](C)[NH+](C)C)cccc1C(F)(F)F ZINC000094598814 193382986 /nfs/dbraw/zinc/38/29/86/193382986.db2.gz WDJINNISRNSVPN-SECBINFHSA-N 1 0 303.328 2.427 10 0 DEAERO C[NH2+][C@H](Cc1ncnn1C)c1cccc(C(F)(F)F)c1F ZINC000094601263 193384102 /nfs/dbraw/zinc/38/41/02/193384102.db2.gz QADMYQATSKAMCE-SNVBAGLBSA-N 1 0 302.275 2.476 10 0 DEAERO Brc1ccc2nc(NCC[C@H]3CCC[NH2+]C3)nn2c1 ZINC000094608167 193384795 /nfs/dbraw/zinc/38/47/95/193384795.db2.gz OKSWHCJXFVOWND-SNVBAGLBSA-N 1 0 324.226 2.293 10 0 DEAERO Cc1ccsc1CNS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000094880564 193404322 /nfs/dbraw/zinc/40/43/22/193404322.db2.gz FUKAIKYIBXMRHM-GFCCVEGCSA-N 1 0 302.465 2.008 10 0 DEAERO CS(=O)(=O)c1ccc2[nH]c([C@H]3CCCCC[C@@H]3[NH3+])nc2c1 ZINC000094745882 193394466 /nfs/dbraw/zinc/39/44/66/193394466.db2.gz SQDVBSMXTZZOEB-RYUDHWBXSA-N 1 0 307.419 2.341 10 0 DEAERO CCc1nn(C)c(C[NH2+]C[C@]2(C)CCCO2)c1Br ZINC000094801837 193399483 /nfs/dbraw/zinc/39/94/83/193399483.db2.gz IXPVNARSRBZHSC-ZDUSSCGKSA-N 1 0 316.243 2.404 10 0 DEAERO CCN1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1=O ZINC000453333878 245077718 /nfs/dbraw/zinc/07/77/18/245077718.db2.gz WPDHMXLTVURXCH-KBAYOESNSA-N 1 0 315.461 2.107 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Cl)cc1F)C[C@H]1CCS(=O)(=O)C1 ZINC000097462833 193722440 /nfs/dbraw/zinc/72/24/40/193722440.db2.gz YVGMWQYGQRHPHD-MFKMUULPSA-N 1 0 319.829 2.434 10 0 DEAERO COc1cc(Nc2cc(NN)[nH+]c(C)n2)c(OC)cc1Cl ZINC000160811948 197440797 /nfs/dbraw/zinc/44/07/97/197440797.db2.gz HWPCTYXHVXBEJP-UHFFFAOYSA-N 1 0 309.757 2.485 10 0 DEAERO CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)C2 ZINC000530289636 284396553 /nfs/dbraw/zinc/39/65/53/284396553.db2.gz FKVROCGMKNQUAX-HZSPNIEDSA-N 1 0 318.465 2.189 10 0 DEAERO CN1C(=[NH2+])NC[C@H]1c1ccc(Br)c2cccnc21 ZINC000160551699 197420850 /nfs/dbraw/zinc/42/08/50/197420850.db2.gz QNQRTCFVBFVBRQ-NSHDSACASA-N 1 0 305.179 2.299 10 0 DEAERO O=S1(=O)C[C@H]([NH2+]Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000019794340 182150186 /nfs/dbraw/zinc/15/01/86/182150186.db2.gz VMIVEXMISUDXGH-IRXDYDNUSA-N 1 0 301.411 2.357 10 0 DEAERO O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CC[NH2+]CC1 ZINC000019795612 182150821 /nfs/dbraw/zinc/15/08/21/182150821.db2.gz PCNYGBNBZOLKCO-UHFFFAOYSA-N 1 0 323.607 2.457 10 0 DEAERO [NH3+]C[C@@H](c1ccccc1Br)N1CCSCC1 ZINC000020257147 182200865 /nfs/dbraw/zinc/20/08/65/182200865.db2.gz FUGNRIBCGBSZSE-LBPRGKRZSA-N 1 0 301.253 2.498 10 0 DEAERO CCn1ccnc1[C@@H](C)NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000454641287 246016919 /nfs/dbraw/zinc/01/69/19/246016919.db2.gz FJQBAYISEXUYEW-CQSZACIVSA-N 1 0 321.469 2.385 10 0 DEAERO COc1ccc(C(=O)N(C)CCC[NH+](C)C)c(OC(F)F)c1 ZINC000530562062 284439325 /nfs/dbraw/zinc/43/93/25/284439325.db2.gz MWNFHVCSRYCRSR-UHFFFAOYSA-N 1 0 316.348 2.320 10 0 DEAERO Nc1cc(Cl)ccc1NC(=O)CCC[NH+]1CCC(O)CC1 ZINC000021508786 182276861 /nfs/dbraw/zinc/27/68/61/182276861.db2.gz SCLWYVHPJXNGOM-UHFFFAOYSA-N 1 0 311.813 2.098 10 0 DEAERO COC(=O)c1ncc(C[NH2+]Cc2ccc(F)cc2)c(C)c1O ZINC000098179851 193791165 /nfs/dbraw/zinc/79/11/65/193791165.db2.gz NIQGUQHFQIYPBH-UHFFFAOYSA-N 1 0 304.321 2.311 10 0 DEAERO COCC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000036094962 182798371 /nfs/dbraw/zinc/79/83/71/182798371.db2.gz DMEJAOCBCZGTKF-SFHVURJKSA-N 1 0 309.450 2.477 10 0 DEAERO CC(C)n1cc(Br)cc1C(=O)NC1CC([NH3+])C1 ZINC000036857543 182849144 /nfs/dbraw/zinc/84/91/44/182849144.db2.gz ABFBMFDUOBFWCM-UHFFFAOYSA-N 1 0 300.200 2.051 10 0 DEAERO CC(C)(CO)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000037853723 182932139 /nfs/dbraw/zinc/93/21/39/182932139.db2.gz QYFLQVPFSYRKCU-SNVBAGLBSA-N 1 0 308.205 2.094 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)C1(c2cccc(F)c2)CCC1 ZINC000488535576 248801383 /nfs/dbraw/zinc/80/13/83/248801383.db2.gz UKUVIRLNIITXII-UHFFFAOYSA-N 1 0 313.376 2.293 10 0 DEAERO C[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)ccc2F)C1 ZINC000040452314 183068577 /nfs/dbraw/zinc/06/85/77/183068577.db2.gz NNFIHITXKWMGPP-JTQLQIEISA-N 1 0 315.186 2.412 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2c3ncsc3ccc2Cl)C1 ZINC000040632734 183111852 /nfs/dbraw/zinc/11/18/52/183111852.db2.gz JEDIJPLIOFRBRF-IONNQARKSA-N 1 0 311.794 2.265 10 0 DEAERO COc1ccc(Cl)cc1Nc1nc[nH+]c(NN(C)C)c1N ZINC000040702382 183119869 /nfs/dbraw/zinc/11/98/69/183119869.db2.gz DEFGXFCMRBVKDY-UHFFFAOYSA-N 1 0 308.773 2.353 10 0 DEAERO CC[NH+](CC)[C@H](CNC(=O)N1CCOCC1)c1ccc(C)cc1 ZINC000040615398 183109897 /nfs/dbraw/zinc/10/98/97/183109897.db2.gz QHTMDMVDHAJDBY-QGZVFWFLSA-N 1 0 319.449 2.420 10 0 DEAERO Cc1ccc([C@@H](CNS(C)(=O)=O)[NH+]2CCC(C)CC2)cc1 ZINC000040615807 183110034 /nfs/dbraw/zinc/11/00/34/183110034.db2.gz BHARRITZAQGJCJ-MRXNPFEDSA-N 1 0 310.463 2.317 10 0 DEAERO COc1ccc([C@@H](CNC(C)=O)[NH+]2CCCCC2)cc1OC ZINC000040616391 183110090 /nfs/dbraw/zinc/11/00/90/183110090.db2.gz WJNOVSCFOYMDPF-OAHLLOKOSA-N 1 0 306.406 2.367 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000040777815 183132294 /nfs/dbraw/zinc/13/22/94/183132294.db2.gz BCHKWLYJZIVPSP-GJZGRUSLSA-N 1 0 315.841 2.214 10 0 DEAERO CCCC[C@@H]([NH3+])C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000040832840 183139215 /nfs/dbraw/zinc/13/92/15/183139215.db2.gz ZVLLWAXGAWWVFQ-CYBMUJFWSA-N 1 0 300.349 2.464 10 0 DEAERO CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000040834187 183140185 /nfs/dbraw/zinc/14/01/85/183140185.db2.gz XPGGGUQJGQUPRL-CQSZACIVSA-N 1 0 309.797 2.389 10 0 DEAERO COc1ccc([C@H](NC(=O)[C@@H]([NH3+])CCSC)C2CC2)cc1 ZINC000040856193 183143244 /nfs/dbraw/zinc/14/32/44/183143244.db2.gz VVKSKKZSXYSVIZ-LSDHHAIUSA-N 1 0 308.447 2.343 10 0 DEAERO CC[NH2+][C@@H](C)c1cc(F)ccc1Sc1nc(N)cc(=O)[nH]1 ZINC000041027248 183157200 /nfs/dbraw/zinc/15/72/00/183157200.db2.gz PUVIKRPECCKRCF-QMMMGPOBSA-N 1 0 308.382 2.313 10 0 DEAERO CC[NH2+][C@H](C)c1cc(F)ccc1Sc1nc(N)cc(=O)[nH]1 ZINC000041027249 183157432 /nfs/dbraw/zinc/15/74/32/183157432.db2.gz PUVIKRPECCKRCF-MRVPVSSYSA-N 1 0 308.382 2.313 10 0 DEAERO COc1ccc2c(c1)[nH+]c(C)cc2N(C)[C@H]1CCS(=O)(=O)C1 ZINC000041478769 183193997 /nfs/dbraw/zinc/19/39/97/183193997.db2.gz CAZZPXPNCTYIBD-LBPRGKRZSA-N 1 0 320.414 2.175 10 0 DEAERO Cc1cc2c(n1[C@]1(C)CCS(=O)(=O)C1)CC(C)(C)C[C@H]2[NH3+] ZINC000041735213 183218443 /nfs/dbraw/zinc/21/84/43/183218443.db2.gz WDOPWVRJWBZWHS-CZUORRHYSA-N 1 0 310.463 2.302 10 0 DEAERO CC(C)[C@@H](CNC(=O)c1ccc(Br)o1)[NH+](C)C ZINC000041935753 183225825 /nfs/dbraw/zinc/22/58/25/183225825.db2.gz AWUKQNGZNOWFET-SECBINFHSA-N 1 0 303.200 2.358 10 0 DEAERO CCC[NH2+]Cc1c(N(CCCO)C(C)C)nc2sccn12 ZINC000042511545 183278496 /nfs/dbraw/zinc/27/84/96/183278496.db2.gz LXGXJZMINBMOKU-UHFFFAOYSA-N 1 0 310.467 2.493 10 0 DEAERO COC[C@@H](C)N(C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042517834 183279530 /nfs/dbraw/zinc/27/95/30/183279530.db2.gz RQQSZVAUQCDZBN-MFKMUULPSA-N 1 0 301.228 2.416 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cncc(Br)c2)C1 ZINC000042356372 183257656 /nfs/dbraw/zinc/25/76/56/183257656.db2.gz SENMOIQAXBCBPE-LBPRGKRZSA-N 1 0 312.211 2.058 10 0 DEAERO C[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)CN1CCOCC1 ZINC000493760855 249392683 /nfs/dbraw/zinc/39/26/83/249392683.db2.gz ALYRKTKZYSEPEW-IPJUCJBFSA-N 1 0 318.461 2.292 10 0 DEAERO COCCN([C@@H](C[NH3+])c1ccc(SC)cc1)[C@@H](C)COC ZINC000042606649 183290243 /nfs/dbraw/zinc/29/02/43/183290243.db2.gz UQSAHDDHOBYCGA-BBRMVZONSA-N 1 0 312.479 2.392 10 0 DEAERO CCCN(CC(F)(F)F)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000042768585 183306600 /nfs/dbraw/zinc/30/66/00/183306600.db2.gz UOODFAHFNOATRY-UHFFFAOYSA-N 1 0 324.368 2.249 10 0 DEAERO CC[N@H+](CCNS(=O)(=O)c1cc(C)sc1C)C1CC1 ZINC000102184044 193867540 /nfs/dbraw/zinc/86/75/40/193867540.db2.gz ZRGKCVKWMMWKNL-UHFFFAOYSA-N 1 0 302.465 2.128 10 0 DEAERO CCN([C@H](C)COC)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042743816 183304438 /nfs/dbraw/zinc/30/44/38/183304438.db2.gz ICYSANVVVWMMST-ZJUUUORDSA-N 1 0 305.216 2.399 10 0 DEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccc(F)cc1 ZINC000042944071 183319734 /nfs/dbraw/zinc/31/97/34/183319734.db2.gz ILSFYVAMNTUNGK-GWCFXTLKSA-N 1 0 308.382 2.062 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)NC ZINC000042946417 183320964 /nfs/dbraw/zinc/32/09/64/183320964.db2.gz TYUACKBSMNSQOG-ZNMIVQPWSA-N 1 0 309.841 2.329 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCC(CC(N)=O)CC1 ZINC000042946565 183321082 /nfs/dbraw/zinc/32/10/82/183321082.db2.gz URBLHMGKJPQKRM-ZBEGNZNMSA-N 1 0 309.841 2.316 10 0 DEAERO COC(=O)CS[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042959566 183323485 /nfs/dbraw/zinc/32/34/85/183323485.db2.gz KSWVYIJCKIPWBD-JTQLQIEISA-N 1 0 304.209 2.355 10 0 DEAERO COC(=O)CS[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042959568 183323864 /nfs/dbraw/zinc/32/38/64/183323864.db2.gz KSWVYIJCKIPWBD-SNVBAGLBSA-N 1 0 304.209 2.355 10 0 DEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(N)cc(=O)[nH]1)c1cccc(C)c1 ZINC000042970477 183324530 /nfs/dbraw/zinc/32/45/30/183324530.db2.gz VAIIDZQCRHMVGU-BXUZGUMPSA-N 1 0 304.419 2.231 10 0 DEAERO CS(=O)(=O)c1cccc(O[C@H](C[NH3+])c2cccc(F)c2)c1 ZINC000042974200 183325559 /nfs/dbraw/zinc/32/55/59/183325559.db2.gz UPNBBFBQMXKLCG-OAHLLOKOSA-N 1 0 309.362 2.308 10 0 DEAERO COCCN(CCOC)[C@@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043014678 183327828 /nfs/dbraw/zinc/32/78/28/183327828.db2.gz DRQMPSHWFKJSFD-IUODEOHRSA-N 1 0 300.830 2.323 10 0 DEAERO C[C@@H](N(C)S(=O)(=O)c1cccc2c1CC[NH2+]C2)C(C)(C)C ZINC000042781276 183308443 /nfs/dbraw/zinc/30/84/43/183308443.db2.gz UFODMXJJSUARDU-GFCCVEGCSA-N 1 0 310.463 2.387 10 0 DEAERO Cn1cc([C@H](C[NH3+])Oc2c(F)c(F)c(F)c(F)c2F)cn1 ZINC000043236404 183345839 /nfs/dbraw/zinc/34/58/39/183345839.db2.gz KUZRAMZOBQLWKP-LURJTMIESA-N 1 0 307.222 2.194 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1sccc1C)N(CCOC)CCOC ZINC000043248094 183346901 /nfs/dbraw/zinc/34/69/01/183346901.db2.gz FWHBSASCHWXFHS-UONOGXRCSA-N 1 0 300.468 2.430 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CCO ZINC000043261134 183348943 /nfs/dbraw/zinc/34/89/43/183348943.db2.gz XLMKLGKKFVLCAR-LDYMZIIASA-N 1 0 307.257 2.213 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N1CCC(O)CC1 ZINC000043258820 183348952 /nfs/dbraw/zinc/34/89/52/183348952.db2.gz ALEXZEHWKQXYFY-PRHODGIISA-N 1 0 319.268 2.356 10 0 DEAERO C[C@H]([NH3+])[C@@H](Sc1nnnn1-c1ccccc1)C(F)(F)F ZINC000043385897 183358313 /nfs/dbraw/zinc/35/83/13/183358313.db2.gz OUGNSQYOZJULFU-IONNQARKSA-N 1 0 303.313 2.033 10 0 DEAERO [NH3+]C[C@@H](c1ccccc1Br)N1CCC[C@H](CO)C1 ZINC000043092158 183335758 /nfs/dbraw/zinc/33/57/58/183335758.db2.gz MHWJPZDSPYCLJU-FZMZJTMJSA-N 1 0 313.239 2.153 10 0 DEAERO O=c1nc(C(F)(F)F)c2c([nH]1)C(=Cc1ccccc1)C[NH2+]C2 ZINC000043464099 183364850 /nfs/dbraw/zinc/36/48/50/183364850.db2.gz LZHRVXHXXSFNLV-UXBLZVDNSA-N 1 0 307.275 2.433 10 0 DEAERO C[C@@H]1CC(=O)N(C[C@H]([NH3+])c2cccc(C(F)(F)F)c2)C1=O ZINC000043513043 183369126 /nfs/dbraw/zinc/36/91/26/183369126.db2.gz AYWWYLZGZHJAAV-KCJUWKMLSA-N 1 0 300.280 2.100 10 0 DEAERO CC[NH2+]Cc1cc(Cl)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC000043623988 183376270 /nfs/dbraw/zinc/37/62/70/183376270.db2.gz DERSJFCKLSICRN-VIFPVBQESA-N 1 0 301.770 2.398 10 0 DEAERO O=C(Nc1c(Cl)cccc1C(F)(F)F)[C@@H]1C[NH2+]CCO1 ZINC000043712972 183382422 /nfs/dbraw/zinc/38/24/22/183382422.db2.gz PHZIRIBHWYWPAB-VIFPVBQESA-N 1 0 308.687 2.286 10 0 DEAERO O=C(Nc1ccc(Br)cc1Cl)[C@@H]1C[NH2+]CCO1 ZINC000043707927 183382599 /nfs/dbraw/zinc/38/25/99/183382599.db2.gz YJDRVVVMNFQMAW-JTQLQIEISA-N 1 0 319.586 2.029 10 0 DEAERO CC(C)C[N@H+](CCC(N)=S)[C@@H](C)C(=O)N1CCCCCC1 ZINC000043418488 183360657 /nfs/dbraw/zinc/36/06/57/183360657.db2.gz KNNHHATYMRKITR-AWEZNQCLSA-N 1 0 313.511 2.412 10 0 DEAERO Cc1sc2nc(CN3CCCC[C@@H]3C[NH3+])nc(N)c2c1C ZINC000044558862 183421402 /nfs/dbraw/zinc/42/14/02/183421402.db2.gz BSMITHHTJCPLME-LLVKDONJSA-N 1 0 305.451 2.204 10 0 DEAERO COCc1cccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000284616334 218100616 /nfs/dbraw/zinc/10/06/16/218100616.db2.gz KROVPTIGUMLYGW-RCCFBDPRSA-N 1 0 305.418 2.195 10 0 DEAERO CC(C)[C@H](C)NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000105075914 194070277 /nfs/dbraw/zinc/07/02/77/194070277.db2.gz LANXHMQSIYPJJW-BBWFWOEESA-N 1 0 324.513 2.231 10 0 DEAERO O=C(NCc1cscn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105210115 194085283 /nfs/dbraw/zinc/08/52/83/194085283.db2.gz IWAAIMFJWSOJRD-AWEZNQCLSA-N 1 0 308.451 2.303 10 0 DEAERO Cc1cc(C)cc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000105817485 194136598 /nfs/dbraw/zinc/13/65/98/194136598.db2.gz IQGCMDLWCBRPJZ-UHFFFAOYSA-N 1 0 322.416 2.063 10 0 DEAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000105874076 194153209 /nfs/dbraw/zinc/15/32/09/194153209.db2.gz HSMDZXWWQVRMAQ-KGLIPLIRSA-N 1 0 321.469 2.001 10 0 DEAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1cn3ccccc3n1)CC2 ZINC000105873883 194153612 /nfs/dbraw/zinc/15/36/12/194153612.db2.gz YFQBWCBRDRTGAE-ZDUSSCGKSA-N 1 0 310.405 2.154 10 0 DEAERO CCN(CC)C(=O)[C@@H]([NH2+]CCn1cc(C)cn1)c1ccccc1 ZINC000105881338 194156061 /nfs/dbraw/zinc/15/60/61/194156061.db2.gz LFSQESXMICJNNU-KRWDZBQOSA-N 1 0 314.433 2.391 10 0 DEAERO COc1ccc(CC[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105883541 194157348 /nfs/dbraw/zinc/15/73/48/194157348.db2.gz DMUOYVKHPAMDJL-INIZCTEOSA-N 1 0 300.406 2.241 10 0 DEAERO CCn1cnnc1C1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000105928346 194173079 /nfs/dbraw/zinc/17/30/79/194173079.db2.gz FZGJWBPAVPEFCZ-UHFFFAOYSA-N 1 0 306.332 2.056 10 0 DEAERO CC(C)Oc1cccc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000106098380 194185537 /nfs/dbraw/zinc/18/55/37/194185537.db2.gz IMYDHTZKPBOAEC-JKSUJKDBSA-N 1 0 306.450 2.361 10 0 DEAERO CCOc1ccc(CNC(=O)NCC[NH+](CC)CC)cc1F ZINC000106327415 194197457 /nfs/dbraw/zinc/19/74/57/194197457.db2.gz LFWOTUHWOKOBTM-UHFFFAOYSA-N 1 0 311.401 2.365 10 0 DEAERO CCOC(=O)[C@H](C)Oc1c(Br)cccc1C[NH2+]C ZINC000049954930 183765261 /nfs/dbraw/zinc/76/52/61/183765261.db2.gz DAXJRTPWVGQGPN-VIFPVBQESA-N 1 0 316.195 2.499 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCOC[C@H]2C)CC1 ZINC000553657058 291747567 /nfs/dbraw/zinc/74/75/67/291747567.db2.gz WNINGEFGPQMQDJ-ZBFHGGJFSA-N 1 0 311.470 2.080 10 0 DEAERO CNc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1C(F)(F)F ZINC000050779931 183803746 /nfs/dbraw/zinc/80/37/46/183803746.db2.gz LJLNIDFWFXQBOD-VIFPVBQESA-N 1 0 303.328 2.427 10 0 DEAERO COc1cccc([C@H](C[NH3+])Sc2ncnc3[nH]cnc32)c1 ZINC000051035980 183811771 /nfs/dbraw/zinc/81/17/71/183811771.db2.gz MNYAYDPIPIYQDD-NSHDSACASA-N 1 0 301.375 2.154 10 0 DEAERO C[C@@H](C[NH3+])N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000109459335 194265798 /nfs/dbraw/zinc/26/57/98/194265798.db2.gz STXHKJYMDLDCAA-LBPRGKRZSA-N 1 0 301.356 2.170 10 0 DEAERO Cc1cc(C)c(CN2CC[NH+]([C@H](C)C(N)=S)CC2)c(C)c1 ZINC000109468478 194267179 /nfs/dbraw/zinc/26/71/79/194267179.db2.gz RBNCWIVTHHAVCF-OAHLLOKOSA-N 1 0 305.491 2.404 10 0 DEAERO Cc1nn(C)c(C)c1-c1csc([C@H](C)N2CC[NH2+]CC2)n1 ZINC000109472301 194267523 /nfs/dbraw/zinc/26/75/23/194267523.db2.gz BLMABYRKPGAFEY-LBPRGKRZSA-N 1 0 305.451 2.127 10 0 DEAERO C[C@@H](c1noc(-c2cc3c(s2)CCC3)n1)N1CC[NH2+]CC1 ZINC000109473801 194268231 /nfs/dbraw/zinc/26/82/31/194268231.db2.gz JJFWIJSJTFNGLT-JTQLQIEISA-N 1 0 304.419 2.253 10 0 DEAERO COC[C@H]([NH3+])Cc1nc(-c2ccccc2Br)no1 ZINC000109518132 194271163 /nfs/dbraw/zinc/27/11/63/194271163.db2.gz JWWIROWBYLPMJG-MRVPVSSYSA-N 1 0 312.167 2.015 10 0 DEAERO O=C(COc1ccc(Cl)cc1)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051358992 183824958 /nfs/dbraw/zinc/82/49/58/183824958.db2.gz JFENWSKHSZAJMT-HUUCEWRRSA-N 1 0 308.809 2.462 10 0 DEAERO C[NH2+]Cc1cc(Br)cnc1OC[C@H]1CCCO1 ZINC000051526479 183828668 /nfs/dbraw/zinc/82/86/68/183828668.db2.gz BUJPBWLPVAHNQC-LLVKDONJSA-N 1 0 301.184 2.121 10 0 DEAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000110648432 194345883 /nfs/dbraw/zinc/34/58/83/194345883.db2.gz BIJVEURRTOHUSG-SECBINFHSA-N 1 0 320.817 2.227 10 0 DEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000054306850 183933052 /nfs/dbraw/zinc/93/30/52/183933052.db2.gz XGWJMIYDVTUNIL-VIFPVBQESA-N 1 0 307.781 2.163 10 0 DEAERO CC[C@H]([NH3+])Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000054184269 183928630 /nfs/dbraw/zinc/92/86/30/183928630.db2.gz GMKHFCCWBLZMIC-NSHDSACASA-N 1 0 310.444 2.493 10 0 DEAERO CCn1cc(Br)cc1C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000110927319 194369907 /nfs/dbraw/zinc/36/99/07/194369907.db2.gz PBMAGVLQORYXAD-NSHDSACASA-N 1 0 314.227 2.095 10 0 DEAERO CN(C(=O)c1cc(Br)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000110927633 194369984 /nfs/dbraw/zinc/36/99/84/194369984.db2.gz YZNGLPYJKPKUCI-SNVBAGLBSA-N 1 0 315.186 2.412 10 0 DEAERO C[C@H](NC(=O)CN(C)[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000110930604 194371265 /nfs/dbraw/zinc/37/12/65/194371265.db2.gz LJOVFLKHMYNSCR-QWHCGFSZSA-N 1 0 309.841 2.201 10 0 DEAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(CC)s1 ZINC000110942238 194372252 /nfs/dbraw/zinc/37/22/52/194372252.db2.gz KYBPJCRHDDSPNM-LBPRGKRZSA-N 1 0 316.492 2.463 10 0 DEAERO NC(=[NH2+])c1cc(F)ccc1Sc1nnnn1C1CCCC1 ZINC000111035558 194386906 /nfs/dbraw/zinc/38/69/06/194386906.db2.gz VDPFEUKHEDYFFU-UHFFFAOYSA-N 1 0 306.370 2.363 10 0 DEAERO COCCCN(CCOC)c1ncc(C[NH2+]CC(C)C)s1 ZINC000054908033 183954682 /nfs/dbraw/zinc/95/46/82/183954682.db2.gz VNRYTKAQMOWQMR-UHFFFAOYSA-N 1 0 315.483 2.378 10 0 DEAERO CN(C)CC[N@H+](C)CCCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000111130134 194393526 /nfs/dbraw/zinc/39/35/26/194393526.db2.gz FTMIIBVEHXQDNO-UHFFFAOYSA-N 1 0 312.845 2.134 10 0 DEAERO CCOCC[N@H+](C)CCC[C@@](C)(NC(C)C)C(=O)OCC ZINC000157477112 197190121 /nfs/dbraw/zinc/19/01/21/197190121.db2.gz PMVBPTFDXDGPFT-MRXNPFEDSA-N 1 0 302.459 2.055 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CSCc1ccncc1 ZINC000058887139 184130617 /nfs/dbraw/zinc/13/06/17/184130617.db2.gz QYMFCEXZULSGLH-AWEZNQCLSA-N 1 0 307.463 2.305 10 0 DEAERO O=C(c1cncc(Br)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000060079447 184144068 /nfs/dbraw/zinc/14/40/68/184144068.db2.gz PDQSAMQRBRVFKL-ZDUSSCGKSA-N 1 0 324.222 2.154 10 0 DEAERO O=S(=O)(CCC1CC[NH2+]CC1)Nc1cc(F)cc(F)c1F ZINC000061120351 184162760 /nfs/dbraw/zinc/16/27/60/184162760.db2.gz OSONQHSMGHMNDC-UHFFFAOYSA-N 1 0 322.352 2.235 10 0 DEAERO O=C(CN1CCC[NH2+]CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000061268920 184167077 /nfs/dbraw/zinc/16/70/77/184167077.db2.gz OURPOFHBWBBHKK-UHFFFAOYSA-N 1 0 302.205 2.227 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)NCc1ccc(Br)s1 ZINC000061266224 184167383 /nfs/dbraw/zinc/16/73/83/184167383.db2.gz ALAKWPWJZWSTGK-QMMMGPOBSA-N 1 0 305.241 2.372 10 0 DEAERO CCn1c(S[C@@H](c2ccccc2Cl)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594274 184176208 /nfs/dbraw/zinc/17/62/08/184176208.db2.gz JBQLRGGWEWKKSD-LDYMZIIASA-N 1 0 312.826 2.425 10 0 DEAERO CCCn1c(S[C@@H](c2cccc(F)c2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594983 184176441 /nfs/dbraw/zinc/17/64/41/184176441.db2.gz NCEMIYCATSTXQT-JOYOIKCWSA-N 1 0 310.398 2.301 10 0 DEAERO Cc1ccc(OCC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1C ZINC000061605821 184177510 /nfs/dbraw/zinc/17/75/10/184177510.db2.gz MARZYNWXRNKEKA-UHFFFAOYSA-N 1 0 302.418 2.379 10 0 DEAERO CC[NH2+]CCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000061630259 184179489 /nfs/dbraw/zinc/17/94/89/184179489.db2.gz ZIUITIQEGLBBSP-UHFFFAOYSA-N 1 0 314.304 2.141 10 0 DEAERO CC(C)c1ncc(Cl)c(C(=O)N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061644508 184180610 /nfs/dbraw/zinc/18/06/10/184180610.db2.gz LLRXAPBRXITJNX-LLVKDONJSA-N 1 0 310.829 2.420 10 0 DEAERO CC(C)C[NH2+]C[C@@H](C(C)C)N1CCN(CC(F)(F)F)CC1 ZINC000061948408 184198139 /nfs/dbraw/zinc/19/81/39/184198139.db2.gz CTSUZUBWYSODLS-AWEZNQCLSA-N 1 0 309.420 2.437 10 0 DEAERO CC[NH2+]Cc1sc(N2CCN(CC(F)(F)F)CC2)nc1C ZINC000061948575 184198455 /nfs/dbraw/zinc/19/84/55/184198455.db2.gz KVACFURRXXVMQW-UHFFFAOYSA-N 1 0 322.400 2.245 10 0 DEAERO COc1ccc(C[C@]2(O)CC[N@H+](C)C2)cc1Br ZINC000061986843 184199701 /nfs/dbraw/zinc/19/97/01/184199701.db2.gz KBVQELNQVPKKFH-CYBMUJFWSA-N 1 0 300.196 2.067 10 0 DEAERO CCCNc1ccc(Cl)c(C(=O)NCC[N@H+](C)C2CC2)n1 ZINC000062011895 184201174 /nfs/dbraw/zinc/20/11/74/184201174.db2.gz HUKNQFNQXDATDY-UHFFFAOYSA-N 1 0 310.829 2.381 10 0 DEAERO C[C@@H](c1ccccc1F)N(C)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000062027844 184202386 /nfs/dbraw/zinc/20/23/86/184202386.db2.gz ZDEIQDNAOGFRLG-STQMWFEESA-N 1 0 314.426 2.290 10 0 DEAERO CCN(CC)c1nc(Cl)nc(NCCC[NH+]2CCCC2)n1 ZINC000062076820 184204387 /nfs/dbraw/zinc/20/43/87/184204387.db2.gz FKPREZFQTVKWKE-UHFFFAOYSA-N 1 0 312.849 2.269 10 0 DEAERO COCCC[N@H+]1[C@H](C)CN(C(=O)c2ccccc2F)C[C@@H]1C ZINC000062180837 184213421 /nfs/dbraw/zinc/21/34/21/184213421.db2.gz IWVIMHNVHDGWSY-OKILXGFUSA-N 1 0 308.397 2.397 10 0 DEAERO C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1C[NH3+] ZINC000062187548 184216721 /nfs/dbraw/zinc/21/67/21/184216721.db2.gz RECPYSSPBMHQFX-ZDUSSCGKSA-N 1 0 304.415 2.055 10 0 DEAERO Cc1ccc([C@@H](CNC(=O)Nc2nncs2)[NH+](C)C)cc1 ZINC000062428379 184235720 /nfs/dbraw/zinc/23/57/20/184235720.db2.gz HPNOLABPIXPRLF-GFCCVEGCSA-N 1 0 305.407 2.271 10 0 DEAERO COCC[NH2+]Cc1cc2c(cc1OCC(F)(F)F)OCO2 ZINC000062733975 184251100 /nfs/dbraw/zinc/25/11/00/184251100.db2.gz AYNLGCFHNGMCLO-UHFFFAOYSA-N 1 0 307.268 2.092 10 0 DEAERO CCC[NH2+][C@@H](C)c1ccc(F)cc1OCCS(C)(=O)=O ZINC000062747224 184252094 /nfs/dbraw/zinc/25/20/94/184252094.db2.gz VBZOSMCKNHUSLK-NSHDSACASA-N 1 0 303.399 2.310 10 0 DEAERO CC1(C(=O)Nc2ncc(Br)s2)CC[NH2+]CC1 ZINC000062840361 184255582 /nfs/dbraw/zinc/25/55/82/184255582.db2.gz GPWCCCAPMGTCMP-UHFFFAOYSA-N 1 0 304.213 2.234 10 0 DEAERO CC[C@@]1(C(=O)NCc2cccc(Br)c2)CC[NH2+]C1 ZINC000062901150 184259070 /nfs/dbraw/zinc/25/90/70/184259070.db2.gz XNJSIAJSWMVIID-CQSZACIVSA-N 1 0 311.223 2.455 10 0 DEAERO CCN(C)C(=O)COc1ccc(C[NH2+]C)cc1Br ZINC000062700955 184247406 /nfs/dbraw/zinc/24/74/06/184247406.db2.gz MCIFUZCNCHDAJP-UHFFFAOYSA-N 1 0 315.211 2.026 10 0 DEAERO C[C@@H]1[NH2+]CCCN(Cc2ccc(Br)cc2F)C1=O ZINC000063215248 184278727 /nfs/dbraw/zinc/27/87/27/184278727.db2.gz DFQCNLLXSUTPCX-VIFPVBQESA-N 1 0 315.186 2.299 10 0 DEAERO CNc1ccc(Cl)c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000062984930 184264992 /nfs/dbraw/zinc/26/49/92/184264992.db2.gz SAYHTKHELVOFAD-NSHDSACASA-N 1 0 308.813 2.087 10 0 DEAERO Cc1cc(Br)ccc1OC[C@H](O)C[NH2+]C1CC1 ZINC000063061883 184268882 /nfs/dbraw/zinc/26/88/82/184268882.db2.gz MVJLQVXHFUTKFC-GFCCVEGCSA-N 1 0 300.196 2.249 10 0 DEAERO C[C@@H]1CCC[C@H](SCc2nc3c(cnn3C)c(NN)[nH+]2)C1 ZINC000063084378 184269665 /nfs/dbraw/zinc/26/96/65/184269665.db2.gz LTOUAZOYMZBUMH-ZJUUUORDSA-N 1 0 306.439 2.461 10 0 DEAERO Cc1ccc(C[NH3+])c(Sc2ccc(S(C)(=O)=O)cc2)n1 ZINC000063131490 184272409 /nfs/dbraw/zinc/27/24/09/184272409.db2.gz IUNJERAQRVUHGM-UHFFFAOYSA-N 1 0 308.428 2.403 10 0 DEAERO CC(=O)Nc1nc(CN2CCC[C@@H](C[NH2+]C(C)C)C2)cs1 ZINC000063139280 184273221 /nfs/dbraw/zinc/27/32/21/184273221.db2.gz UGUIMHJJIPOEFG-ZDUSSCGKSA-N 1 0 310.467 2.312 10 0 DEAERO CC[NH2+][C@@H](C)c1ccccc1NS(=O)(=O)C[C@H]1CCCO1 ZINC000063155745 184274545 /nfs/dbraw/zinc/27/45/45/184274545.db2.gz COQQGIATUQZSGD-QWHCGFSZSA-N 1 0 312.435 2.278 10 0 DEAERO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1ccccc1SC ZINC000063168894 184275666 /nfs/dbraw/zinc/27/56/66/184275666.db2.gz NNLHQVOIFKPXDI-ZDUSSCGKSA-N 1 0 307.463 2.421 10 0 DEAERO [NH3+][C@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000063175821 184276655 /nfs/dbraw/zinc/27/66/55/184276655.db2.gz GGEREEBUWAXNRJ-VHSXEESVSA-N 1 0 309.218 2.152 10 0 DEAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(Br)c[nH]1 ZINC000063192928 184277181 /nfs/dbraw/zinc/27/71/81/184277181.db2.gz CKZOKGPUPIVXIK-KWQFWETISA-N 1 0 300.200 2.119 10 0 DEAERO Cc1nc(-c2cccc(NC(=O)NC3CC[NH+](C)CC3)c2)no1 ZINC000064545540 184299281 /nfs/dbraw/zinc/29/92/81/184299281.db2.gz GZXJQAZZLFMYMT-UHFFFAOYSA-N 1 0 315.377 2.261 10 0 DEAERO COCCOCCCC[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000159121764 197329052 /nfs/dbraw/zinc/32/90/52/197329052.db2.gz HHQRMZARWISGLJ-HUUCEWRRSA-N 1 0 303.468 2.074 10 0 DEAERO CCCN[C@@](C)(C[C@H](C)[N@H+](C)CCCOC)C(=O)OCC ZINC000068644061 184495835 /nfs/dbraw/zinc/49/58/35/184495835.db2.gz JNWIRLHHWZXBFB-HOCLYGCPSA-N 1 0 302.459 2.055 10 0 DEAERO NC(=S)c1ccc(F)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000069403260 184512242 /nfs/dbraw/zinc/51/22/42/184512242.db2.gz AXXULPYWPSJUQH-CQSZACIVSA-N 1 0 307.438 2.130 10 0 DEAERO CSc1nc(C(=O)N(C)CCC[NH+](C)C)c2ccccn21 ZINC000537214173 284987267 /nfs/dbraw/zinc/98/72/67/284987267.db2.gz PEXGRKQWIOCSIW-UHFFFAOYSA-N 1 0 306.435 2.080 10 0 DEAERO CCN(CC)C(=O)C1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000120105674 195097765 /nfs/dbraw/zinc/09/77/65/195097765.db2.gz DLSJMJOQGMZTKV-CQSZACIVSA-N 1 0 323.481 2.014 10 0 DEAERO C[NH2+][C@H](Cc1nc(C)cs1)c1c(Br)cnn1C ZINC000159288033 197343172 /nfs/dbraw/zinc/34/31/72/197343172.db2.gz FVBMQOARUHFIEA-SECBINFHSA-N 1 0 315.240 2.451 10 0 DEAERO Cc1cc(C[C@@H](C)[NH2+]C2CCC(O)(C(F)(F)F)CC2)[nH]n1 ZINC000540160458 285111553 /nfs/dbraw/zinc/11/15/53/285111553.db2.gz VMFBXWSAGYKZAG-CBZQXFMTSA-N 1 0 305.344 2.475 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCc1nc(C(C)C)no1 ZINC000120206731 195118736 /nfs/dbraw/zinc/11/87/36/195118736.db2.gz QYTDTVQIXZXHSA-ZDUSSCGKSA-N 1 0 310.442 2.218 10 0 DEAERO Cc1cc(S(=O)(=O)NCC2(C)CCCC2)cc(C[NH3+])c1F ZINC000159117322 197328560 /nfs/dbraw/zinc/32/85/60/197328560.db2.gz WOZVTRJECDHOSI-UHFFFAOYSA-N 1 0 314.426 2.451 10 0 DEAERO CN1CCN(Nc2cc(Cl)nc(-c3ccccc3)[nH+]2)CC1 ZINC000159099567 197327615 /nfs/dbraw/zinc/32/76/15/197327615.db2.gz XEDXZZILNCGJMS-UHFFFAOYSA-N 1 0 303.797 2.371 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@@H]2C)cc(C)c1F ZINC000159074911 197324559 /nfs/dbraw/zinc/32/45/59/197324559.db2.gz RNPPAAPCFGNNSY-LBPRGKRZSA-N 1 0 314.426 2.417 10 0 DEAERO Cc1cc(S(=O)(=O)N(C)[C@@H](C)C2CC2)cc(C[NH3+])c1F ZINC000159071135 197324584 /nfs/dbraw/zinc/32/45/84/197324584.db2.gz CUFPRBNDMWUHDG-JTQLQIEISA-N 1 0 300.399 2.012 10 0 DEAERO COc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1OC(F)F ZINC000540515429 285119400 /nfs/dbraw/zinc/11/94/00/285119400.db2.gz IHEWICAUTVJFOC-UHFFFAOYSA-N 1 0 316.348 2.320 10 0 DEAERO COc1ccc(NC(=O)C[C@H](C)C[NH3+])cc1Br ZINC000158930830 197312030 /nfs/dbraw/zinc/31/20/30/197312030.db2.gz SGBQGULRXDDEOK-QMMMGPOBSA-N 1 0 301.184 2.381 10 0 DEAERO CCC[NH2+][C@@H](C)c1ccc(NC(=O)NCC[S@@](C)=O)cc1 ZINC000159013006 197318915 /nfs/dbraw/zinc/31/89/15/197318915.db2.gz FBEJEWOJGRDRQY-QKVFXAPYSA-N 1 0 311.451 2.247 10 0 DEAERO COCCn1ncc(Br)c1[C@H]([NH3+])CC(F)(F)F ZINC000158903282 197309968 /nfs/dbraw/zinc/30/99/68/197309968.db2.gz HQUJMHACKKFGDA-SSDOTTSWSA-N 1 0 316.121 2.244 10 0 DEAERO CN([C@@H](C[NH3+])c1ccc(Br)cc1F)[C@@H]1CCOC1 ZINC000158679874 197294066 /nfs/dbraw/zinc/29/40/66/197294066.db2.gz IAYXMCBHVFMWJO-MFKMUULPSA-N 1 0 317.202 2.309 10 0 DEAERO COCCSCCC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000376136611 285126476 /nfs/dbraw/zinc/12/64/76/285126476.db2.gz VFJCOXIEKHQRCH-OAHLLOKOSA-N 1 0 303.468 2.026 10 0 DEAERO [NH3+]CCc1nc(C(=O)N2CCCOc3ccccc32)cs1 ZINC000158609213 197288023 /nfs/dbraw/zinc/28/80/23/197288023.db2.gz CCUICNXGWBRCNZ-UHFFFAOYSA-N 1 0 303.387 2.074 10 0 DEAERO OCC1(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)CCCCC1 ZINC000158441541 197272895 /nfs/dbraw/zinc/27/28/95/197272895.db2.gz OGMDZHJYNFYVMK-ZDUSSCGKSA-N 1 0 308.388 2.403 10 0 DEAERO COCCn1ncc(Br)c1[C@H]([NH3+])c1ccsc1 ZINC000158410785 197270088 /nfs/dbraw/zinc/27/00/88/197270088.db2.gz FTRUNCKNBPAONS-SNVBAGLBSA-N 1 0 316.224 2.402 10 0 DEAERO C[NH2+]Cc1cnc(Oc2ccc(S(C)(=O)=O)cc2)c(C)c1 ZINC000158413725 197269797 /nfs/dbraw/zinc/26/97/97/197269797.db2.gz VWWXTCOHEZUAOW-UHFFFAOYSA-N 1 0 306.387 2.305 10 0 DEAERO Cc1ncsc1CCOC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000158317303 197261369 /nfs/dbraw/zinc/26/13/69/197261369.db2.gz HKOJRVXWXCGGEP-OLZOCXBDSA-N 1 0 300.468 2.396 10 0 DEAERO CC(C)[C@H](O)CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000158301433 197260448 /nfs/dbraw/zinc/26/04/48/197260448.db2.gz RCYASUZMHNWXOT-GDBMZVCRSA-N 1 0 324.490 2.483 10 0 DEAERO COc1ccc(OCC[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1 ZINC000158277431 197258863 /nfs/dbraw/zinc/25/88/63/197258863.db2.gz WNKWWXQCUYGWGC-FGTMMUONSA-N 1 0 321.417 2.342 10 0 DEAERO C[C@@H]1OCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccc(N)cc1Cl ZINC000158179338 197250310 /nfs/dbraw/zinc/25/03/10/197250310.db2.gz PAEJGQNCQOVDBG-HZMBPMFUSA-N 1 0 311.813 2.360 10 0 DEAERO CC(C)[NH2+][C@](C)(CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000157955250 197230092 /nfs/dbraw/zinc/23/00/92/197230092.db2.gz OCXZVVQJKYSKIN-IJEWVQPXSA-N 1 0 300.443 2.107 10 0 DEAERO C[C@@H]([NH2+]C1CCS(=O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000157912312 197226766 /nfs/dbraw/zinc/22/67/66/197226766.db2.gz OWGWWIZZFSLNAX-TZHTUTLZSA-N 1 0 303.431 2.434 10 0 DEAERO CCOCCN(C)c1nc(C(C)C)c(C[NH2+]CCOC)s1 ZINC000157724907 197210693 /nfs/dbraw/zinc/21/06/93/197210693.db2.gz MCVLPQDLWPVFAM-UHFFFAOYSA-N 1 0 315.483 2.475 10 0 DEAERO CC(C)(C)[C@@H]([NH3+])C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000157634756 197203915 /nfs/dbraw/zinc/20/39/15/197203915.db2.gz FUPKFJPRIIRNLN-JTQLQIEISA-N 1 0 305.300 2.335 10 0 DEAERO CCCN[C@](C)(CCC[N@H+](C)CCOCC)C(=O)OCC ZINC000157484197 197191146 /nfs/dbraw/zinc/19/11/46/197191146.db2.gz PWPAMXIMIAUTDZ-MRXNPFEDSA-N 1 0 302.459 2.056 10 0 DEAERO [NH3+]Cc1ccc(-c2csc([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000157549249 197196686 /nfs/dbraw/zinc/19/66/86/197196686.db2.gz IEXSLZCSWOJXGQ-LBPRGKRZSA-N 1 0 308.428 2.171 10 0 DEAERO CCNc1nc(Cl)nc(N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)n1 ZINC000157384114 197183725 /nfs/dbraw/zinc/18/37/25/197183725.db2.gz VUTZCGSBWYBDLP-WDEREUQCSA-N 1 0 310.833 2.020 10 0 DEAERO COCC[NH2+]CCCOc1c(Br)cccc1OC ZINC000157288567 197177335 /nfs/dbraw/zinc/17/73/35/197177335.db2.gz QIRWMJFSKPZTSU-UHFFFAOYSA-N 1 0 318.211 2.463 10 0 DEAERO CCCNc1nnc(C(=O)NCC[NH+](C(C)C)C(C)C)s1 ZINC000157265948 197175425 /nfs/dbraw/zinc/17/54/25/197175425.db2.gz YOWBWDACEBWAHD-UHFFFAOYSA-N 1 0 313.471 2.209 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)c1nnc(Cl)s1)c1ccccc1 ZINC000157245088 197172660 /nfs/dbraw/zinc/17/26/60/197172660.db2.gz RCNQRZLWZJMSTL-SNVBAGLBSA-N 1 0 310.810 2.224 10 0 DEAERO Cn1nc(-c2ccccc2)c(C[N@@H+]2CC[C@H](C(N)=O)C2)c1Cl ZINC000157203613 197169656 /nfs/dbraw/zinc/16/96/56/197169656.db2.gz FGACYCLNYFMOAU-LBPRGKRZSA-N 1 0 318.808 2.048 10 0 DEAERO CCC[C@@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[NH+](C)C ZINC000156898605 197148696 /nfs/dbraw/zinc/14/86/96/197148696.db2.gz SKBYFUJDMUASPN-JTQLQIEISA-N 1 0 305.300 2.063 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000189985783 533147827 /nfs/dbraw/zinc/14/78/27/533147827.db2.gz HZZVKIOTVQYHPE-YDHLFZDLSA-N 1 0 320.437 2.179 10 0 DEAERO CCC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1(C)CC1 ZINC000156263777 197099295 /nfs/dbraw/zinc/09/92/95/197099295.db2.gz MCRGPMTUYSIFCH-KBPBESRZSA-N 1 0 302.484 2.216 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)C[S@](=O)c2cccc(F)c2)cc1 ZINC000156084549 197084818 /nfs/dbraw/zinc/08/48/18/197084818.db2.gz QVZAVIIPFDRCGS-OAQYLSRUSA-N 1 0 306.362 2.031 10 0 DEAERO CCN(C(=O)c1cccc(F)c1Br)C1C[NH2+]C1 ZINC000156007274 197079595 /nfs/dbraw/zinc/07/95/95/197079595.db2.gz GEZHZACILPULFW-UHFFFAOYSA-N 1 0 301.159 2.022 10 0 DEAERO [NH3+]Cc1ccc([C@H](O)C[S@@](=O)c2ccc(F)c(F)c2)cc1 ZINC000155990881 197079122 /nfs/dbraw/zinc/07/91/22/197079122.db2.gz AFWMODXZJWCLRR-VFNWGFHPSA-N 1 0 311.353 2.265 10 0 DEAERO COc1ccc([S@@](=O)Cc2ccc(OC)c(C[NH3+])c2)cc1 ZINC000155948075 197076628 /nfs/dbraw/zinc/07/66/28/197076628.db2.gz HSCCMQAJJOEQOO-OAQYLSRUSA-N 1 0 305.399 2.470 10 0 DEAERO CCC(=O)Nc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155441566 197055956 /nfs/dbraw/zinc/05/59/56/197055956.db2.gz LZZPOWSHMVFEIW-BBRMVZONSA-N 1 0 317.433 2.494 10 0 DEAERO COc1cc2c(cc1F)ncnc2N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000302551353 533165326 /nfs/dbraw/zinc/16/53/26/533165326.db2.gz IIXSSAMGFZYQEV-GFCCVEGCSA-N 1 0 314.364 2.228 10 0 DEAERO CCNC(=O)CC[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000155170291 197029180 /nfs/dbraw/zinc/02/91/80/197029180.db2.gz WEKJMFKQBFDLIK-UHFFFAOYSA-N 1 0 304.434 2.476 10 0 DEAERO C[S@](=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000155131810 197025053 /nfs/dbraw/zinc/02/50/53/197025053.db2.gz NIDRPNHOMOGSIC-OPAMFIHVSA-N 1 0 314.410 2.077 10 0 DEAERO C[C@H]1CCC[N@@H+]1C1CCN(c2ncc(C(N)=O)cc2Cl)CC1 ZINC000154904176 197004014 /nfs/dbraw/zinc/00/40/14/197004014.db2.gz VDTHPLOLRYDFRM-NSHDSACASA-N 1 0 322.840 2.287 10 0 DEAERO Cc1nnc(CN2CC[NH+](CCC(C)(C)C)CC2)n1C1CC1 ZINC000154948474 197006816 /nfs/dbraw/zinc/00/68/16/197006816.db2.gz GGEVNQLYDIMGJC-UHFFFAOYSA-N 1 0 305.470 2.475 10 0 DEAERO COCc1nc(C)cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000154920647 197005327 /nfs/dbraw/zinc/00/53/27/197005327.db2.gz FITOTYVXFVGKBM-AWEZNQCLSA-N 1 0 304.438 2.385 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000120666082 195212162 /nfs/dbraw/zinc/21/21/62/195212162.db2.gz ANWFWOUESWAPAI-NWDGAFQWSA-N 1 0 300.805 2.366 10 0 DEAERO CC[C@@H]1CN(C/C=C/c2ccccc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000120727725 195225124 /nfs/dbraw/zinc/22/51/24/195225124.db2.gz BBAASKIBXDFEQK-XPAKDJPHSA-N 1 0 318.461 2.485 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC)nc1C ZINC000120878173 195255221 /nfs/dbraw/zinc/25/52/21/195255221.db2.gz KVUJBPATDSQREL-UONOGXRCSA-N 1 0 318.421 2.489 10 0 DEAERO CCC1(CC)[C@H](NC(=O)N(C)CCC[NH+](C)C)[C@@H](C)[C@@H]1OC ZINC000543683302 285302707 /nfs/dbraw/zinc/30/27/07/285302707.db2.gz IJJZJSZIKJTOKO-KFWWJZLASA-N 1 0 313.486 2.419 10 0 DEAERO Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(c3nnc(C4CC4)o3)C2)o1 ZINC000248087985 257109507 /nfs/dbraw/zinc/10/95/07/257109507.db2.gz KTSCTXWLVDKGQN-GUYCJALGSA-N 1 0 315.373 2.248 10 0 DEAERO c1coc(C[N@@H+]2C[C@@H](Oc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC000247955266 257114048 /nfs/dbraw/zinc/11/40/48/257114048.db2.gz ZXMXPUKQUOWUER-BRWVUGGUSA-N 1 0 300.358 2.485 10 0 DEAERO c1coc(C[N@H+]2C[C@@H]3OC[C@H](COc4ccncc4)[C@@H]3C2)c1 ZINC000247897836 257114954 /nfs/dbraw/zinc/11/49/54/257114954.db2.gz HRVYTPNHGOIXHC-JQFCIGGWSA-N 1 0 300.358 2.200 10 0 DEAERO Cc1cccc(C[N@@H+]2CC[C@@H]3C[C@H](C(=O)NC4CC4)O[C@H]3C2)c1 ZINC000247894251 257115310 /nfs/dbraw/zinc/11/53/10/257115310.db2.gz GOMWXRTUDCGHKE-NXHRZFHOSA-N 1 0 314.429 2.253 10 0 DEAERO CO[C@@H]1CCN(CC2CC2)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000247859830 257116632 /nfs/dbraw/zinc/11/66/32/257116632.db2.gz VWYJKYSQMGTZKH-FGTMMUONSA-N 1 0 301.434 2.013 10 0 DEAERO CCC[C@@H]1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000120949070 195269937 /nfs/dbraw/zinc/26/99/37/195269937.db2.gz ZCNBUIRTANYKQS-CABCVRRESA-N 1 0 302.484 2.170 10 0 DEAERO CC1(C)Cc2cccc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)c2O1 ZINC000121001180 195277781 /nfs/dbraw/zinc/27/77/81/195277781.db2.gz HTOQETJFNONAKD-KRWDZBQOSA-N 1 0 316.445 2.307 10 0 DEAERO OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000121815341 195353672 /nfs/dbraw/zinc/35/36/72/195353672.db2.gz HNTDVVOQEIXQSF-UONOGXRCSA-N 1 0 303.324 2.183 10 0 DEAERO [NH3+]CC1(C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000122186122 195415279 /nfs/dbraw/zinc/41/52/79/195415279.db2.gz FSVXPITZQOBKKF-UHFFFAOYSA-N 1 0 305.122 2.405 10 0 DEAERO C[NH2+]C[C@@H]1CCCN1CC(=O)Nc1ncc(Cl)cc1Cl ZINC000123537351 195592839 /nfs/dbraw/zinc/59/28/39/195592839.db2.gz DFVFOPFEJIVTAC-JTQLQIEISA-N 1 0 317.220 2.011 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Br)c(C)nn1C)[C@H](CC)OC ZINC000124499456 195647924 /nfs/dbraw/zinc/64/79/24/195647924.db2.gz FBQSYDPTKAAMKW-JQWIXIFHSA-N 1 0 318.259 2.437 10 0 DEAERO CCC[NH2+][C@H](c1ccncc1F)[C@@H]1CCCCS1(=O)=O ZINC000125191029 195721347 /nfs/dbraw/zinc/72/13/47/195721347.db2.gz ILYDPTZOUYWCFX-UONOGXRCSA-N 1 0 300.399 2.229 10 0 DEAERO COCCOCCOCC[NH2+]CCc1ccc(Cl)cc1 ZINC000125429376 195748233 /nfs/dbraw/zinc/74/82/33/195748233.db2.gz MBOPVROWWXBFMH-UHFFFAOYSA-N 1 0 301.814 2.152 10 0 DEAERO CCn1nc(C)c(Br)c1CC(=O)[C@](C)(CC)C[NH3+] ZINC000126136926 195813663 /nfs/dbraw/zinc/81/36/63/195813663.db2.gz BDZKYQKSMFXUKI-CYBMUJFWSA-N 1 0 316.243 2.461 10 0 DEAERO [NH3+][C@@H](c1ccc(I)cc1)[C@@H]1CCOC1 ZINC000127295968 195864254 /nfs/dbraw/zinc/86/42/54/195864254.db2.gz BQJDELSEHOLNHM-KOLCDFICSA-N 1 0 303.143 2.328 10 0 DEAERO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000340466420 131835009 /nfs/dbraw/zinc/83/50/09/131835009.db2.gz YWIAXVYROLQVKJ-NWDGAFQWSA-N 1 0 302.415 2.336 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1cccc(Br)c1 ZINC000038012399 132478537 /nfs/dbraw/zinc/47/85/37/132478537.db2.gz OMWDVJFAIGZDIZ-FZMZJTMJSA-N 1 0 324.222 2.357 10 0 DEAERO [NH3+]CCc1nc(C(=O)N2CCC[C@@H](c3nccs3)C2)cs1 ZINC000194833480 132541833 /nfs/dbraw/zinc/54/18/33/132541833.db2.gz OZXIXJFCGZLWTH-SNVBAGLBSA-N 1 0 322.459 2.121 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cnn(C)c3)C2)C1(C)C ZINC000245834797 132571713 /nfs/dbraw/zinc/57/17/13/132571713.db2.gz CHIDPCKXVIGKSH-CWRNSKLLSA-N 1 0 306.454 2.182 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2C[C@@H]2c2cccc(F)c2F)n1 ZINC000263251784 132579422 /nfs/dbraw/zinc/57/94/22/132579422.db2.gz PZJIHOBXWBZNLR-NQBHXWOUSA-N 1 0 320.343 2.195 10 0 DEAERO C[C@H](Cc1cccc(F)c1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263283223 132580601 /nfs/dbraw/zinc/58/06/01/132580601.db2.gz UPNFPPNUTDZQHV-RISCZKNCSA-N 1 0 304.369 2.131 10 0 DEAERO COC1CC([NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000546715678 285522384 /nfs/dbraw/zinc/52/23/84/285522384.db2.gz BSFMNAKMSFEZMJ-KUQKPQIMSA-N 1 0 304.434 2.043 10 0 DEAERO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000355429237 133025978 /nfs/dbraw/zinc/02/59/78/133025978.db2.gz ZFBNUNPKCLPEER-HNNXBMFYSA-N 1 0 312.417 2.425 10 0 DEAERO Cc1nc2ccccc2n1CCC(=O)N1CC[N@@H+](C)CC1(C)C ZINC000357604921 133087612 /nfs/dbraw/zinc/08/76/12/133087612.db2.gz ZYELZEVQPABPKJ-UHFFFAOYSA-N 1 0 314.433 2.287 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCCc2c(F)cccc2F)CC1 ZINC000358201741 133128224 /nfs/dbraw/zinc/12/82/24/133128224.db2.gz VGBLXAZPBDCMCX-UHFFFAOYSA-N 1 0 323.387 2.459 10 0 DEAERO CC[NH+](CC)[C@H](C(=O)NC[C@H](CO)C1CC1)c1ccccc1 ZINC000359817727 133146773 /nfs/dbraw/zinc/14/67/73/133146773.db2.gz DYAWCTWXZLDJLU-SJORKVTESA-N 1 0 304.434 2.204 10 0 DEAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000360482775 133184953 /nfs/dbraw/zinc/18/49/53/133184953.db2.gz NQZYPESQZGKKFQ-WCVJEAGWSA-N 1 0 311.470 2.079 10 0 DEAERO COCCN(Cc1cccs1)C(=O)CC1CC[NH+](C)CC1 ZINC000362508555 133234500 /nfs/dbraw/zinc/23/45/00/133234500.db2.gz YPYZKPIPWDPJPF-UHFFFAOYSA-N 1 0 310.463 2.455 10 0 DEAERO Cc1cnn(CC[NH+]2CCC(COc3ccccn3)CC2)c1 ZINC000362867731 133256214 /nfs/dbraw/zinc/25/62/14/133256214.db2.gz YZCAPGSCTNOTDJ-UHFFFAOYSA-N 1 0 300.406 2.378 10 0 DEAERO O=C(NOCc1ccc(F)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376842192 133309863 /nfs/dbraw/zinc/30/98/63/133309863.db2.gz LOCWMFPIRSIABO-GJZGRUSLSA-N 1 0 307.369 2.183 10 0 DEAERO CCCn1nccc1C1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000377118824 133319071 /nfs/dbraw/zinc/31/90/71/133319071.db2.gz ZOHWZTMFVDOWJH-KRWDZBQOSA-N 1 0 318.465 2.482 10 0 DEAERO CCCc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000377567017 133335247 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CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3ccccc3)C2)C1 ZINC000249772042 145189863 /nfs/dbraw/zinc/18/98/63/145189863.db2.gz SXDRHRNSAINFNJ-IAGOWNOFSA-N 1 0 317.433 2.254 10 0 DEAERO COc1cccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H](OC)C2)c1 ZINC000251886198 145196763 /nfs/dbraw/zinc/19/67/63/145196763.db2.gz PZTNUCIBQKIXBL-XJKSGUPXSA-N 1 0 306.406 2.381 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCc3ccccc32)CC[C@@H]1C ZINC000251986776 145197431 /nfs/dbraw/zinc/19/74/31/145197431.db2.gz VSFZHJCHDUJHLL-JJRVBVJISA-N 1 0 302.418 2.321 10 0 DEAERO C[C@H](O)CN1CCN(C(=O)c2ccc(C3CCC3)cc2)C[C@H]1C ZINC000253351105 145201997 /nfs/dbraw/zinc/20/19/97/145201997.db2.gz FOYHHEROMTXMKW-CABCVRRESA-N 1 0 316.445 2.481 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCc1nc2ccccc2c(=O)[nH]1 ZINC000253542858 145202447 /nfs/dbraw/zinc/20/24/47/145202447.db2.gz JZJIFMZEXVSXKA-KGLIPLIRSA-N 1 0 312.417 2.046 10 0 DEAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC[NH2+]CC1 ZINC000261539071 145206370 /nfs/dbraw/zinc/20/63/70/145206370.db2.gz BMAJSENKWKMXLK-MRXNPFEDSA-N 1 0 315.461 2.109 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261551170 145206826 /nfs/dbraw/zinc/20/68/26/145206826.db2.gz QGDWPMDMOCTFNJ-MRXNPFEDSA-N 1 0 303.450 2.094 10 0 DEAERO C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000261573911 145208604 /nfs/dbraw/zinc/20/86/04/145208604.db2.gz WEXOKXKKYGIERJ-JQWIXIFHSA-N 1 0 302.827 2.088 10 0 DEAERO COc1ccc(-c2nc(CN3CC[C@H]([NH3+])C(C)(C)C3)no2)cc1 ZINC000261611500 145210467 /nfs/dbraw/zinc/21/04/67/145210467.db2.gz BIZCBTMCADTVSB-AWEZNQCLSA-N 1 0 316.405 2.304 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)nc21 ZINC000261675709 145215700 /nfs/dbraw/zinc/21/57/00/145215700.db2.gz CFTVYOJTLQZKNR-CQSZACIVSA-N 1 0 314.433 2.390 10 0 DEAERO C[C@@H](COc1ccccc1)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261710099 145219100 /nfs/dbraw/zinc/21/91/00/145219100.db2.gz GCNIPLMAPFPAGY-HNNXBMFYSA-N 1 0 302.418 2.304 10 0 DEAERO Cc1noc2nc(C)cc(C(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)c12 ZINC000261723520 145220523 /nfs/dbraw/zinc/22/05/23/145220523.db2.gz CNRFKKPCTNKJRK-GFCCVEGCSA-N 1 0 302.378 2.039 10 0 DEAERO COc1ccc(CCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261750515 145222795 /nfs/dbraw/zinc/22/27/95/145222795.db2.gz DTOCIQFEZTUUJP-INIZCTEOSA-N 1 0 320.433 2.222 10 0 DEAERO CCCC(=O)Nc1cccc(NC(=O)C2([NH3+])CCOCC2)c1C ZINC000261755831 145223248 /nfs/dbraw/zinc/22/32/48/145223248.db2.gz FMUXKDFADYKFPP-UHFFFAOYSA-N 1 0 319.405 2.180 10 0 DEAERO CCOCCOc1ccccc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261779795 145226025 /nfs/dbraw/zinc/22/60/25/145226025.db2.gz GAZKQRKDACSCDU-INIZCTEOSA-N 1 0 320.433 2.301 10 0 DEAERO CCOc1cc(C(=O)NCC2(COC)CC[NH2+]CC2)ccc1C ZINC000261808898 145228762 /nfs/dbraw/zinc/22/87/62/145228762.db2.gz WOUFJQSPBSXWMZ-UHFFFAOYSA-N 1 0 320.433 2.140 10 0 DEAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000261808551 145228979 /nfs/dbraw/zinc/22/89/79/145228979.db2.gz MJVPOXYVODLKCF-QWRGUYRKSA-N 1 0 310.344 2.123 10 0 DEAERO c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261850013 145233108 /nfs/dbraw/zinc/23/31/08/145233108.db2.gz BEHIABKIEGJSRS-KZNAEPCWSA-N 1 0 311.429 2.482 10 0 DEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccccc1OC[C@@H]1CCCO1 ZINC000261869611 145236528 /nfs/dbraw/zinc/23/65/28/145236528.db2.gz SDZFMMNRKXJNQR-KFWWJZLASA-N 1 0 318.417 2.054 10 0 DEAERO C[C@@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000261906276 145240566 /nfs/dbraw/zinc/24/05/66/145240566.db2.gz WYYCHPUUOJNIAG-GHMZBOCLSA-N 1 0 314.788 2.444 10 0 DEAERO Cn1cc([C@@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)C(C)(C)C)cn1 ZINC000261926482 145242869 /nfs/dbraw/zinc/24/28/69/145242869.db2.gz JZIFAIIDBXFMCP-UONOGXRCSA-N 1 0 304.438 2.013 10 0 DEAERO Cc1cccc(C2(CNC(=O)C3([NH3+])CCOCC3)CCCC2)c1 ZINC000261933107 145244027 /nfs/dbraw/zinc/24/40/27/145244027.db2.gz WLQCTANGEYNCOF-UHFFFAOYSA-N 1 0 316.445 2.431 10 0 DEAERO C[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1Oc2ccccc2[C@H]1C ZINC000261957977 145247021 /nfs/dbraw/zinc/24/70/21/145247021.db2.gz RHXPGGNUIUNOMI-RPCCPQHDSA-N 1 0 314.429 2.446 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000261970378 145248911 /nfs/dbraw/zinc/24/89/11/145248911.db2.gz QAPKPOMXPJFNSF-DVOMOZLQSA-N 1 0 307.413 2.205 10 0 DEAERO O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)c1ccc(Cl)cc1 ZINC000261994022 145251493 /nfs/dbraw/zinc/25/14/93/145251493.db2.gz TUXDRXFBKUQVOM-WCXIOVBPSA-N 1 0 324.852 2.120 10 0 DEAERO Cc1cc(C(C)C)nc(N2CCN(C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000262000822 145252145 /nfs/dbraw/zinc/25/21/45/145252145.db2.gz UAYMJCUUWOFFCP-MRXNPFEDSA-N 1 0 317.481 2.030 10 0 DEAERO COC(=O)c1cccc(CN(CC[NH3+])CCc2ccccc2)c1 ZINC000262026825 145254482 /nfs/dbraw/zinc/25/44/82/145254482.db2.gz NPMAFQVIZGMEJH-UHFFFAOYSA-N 1 0 312.413 2.477 10 0 DEAERO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000262043573 145256295 /nfs/dbraw/zinc/25/62/95/145256295.db2.gz SXCKPPZRCNBIHI-CYZMBNFOSA-N 1 0 310.344 2.260 10 0 DEAERO Fc1cc(F)cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000262053995 145257416 /nfs/dbraw/zinc/25/74/16/145257416.db2.gz ZZBFAIRURDYGCT-BBWFWOEESA-N 1 0 310.388 2.254 10 0 DEAERO Nc1ncc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)s1 ZINC000262110910 145263291 /nfs/dbraw/zinc/26/32/91/145263291.db2.gz WIIICHLWTVQWKA-JTQLQIEISA-N 1 0 305.407 2.365 10 0 DEAERO Cc1ccc(-c2ccsc2C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262142480 145265905 /nfs/dbraw/zinc/26/59/05/145265905.db2.gz HHLFSVHERSGJOR-UKRRQHHQSA-N 1 0 316.426 2.034 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000262152622 145266183 /nfs/dbraw/zinc/26/61/83/145266183.db2.gz XOFSNJAWNKNBBV-MRAWALMUSA-N 1 0 315.417 2.092 10 0 DEAERO Cc1cccc(NC(=O)[C@@H](C)C2C[NH2+]C2)c1C(=O)N1CCCC1 ZINC000262192582 145268872 /nfs/dbraw/zinc/26/88/72/145268872.db2.gz MGQLBQWRYBUYOY-ZDUSSCGKSA-N 1 0 315.417 2.025 10 0 DEAERO Cc1ccccc1CN1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000262260392 145272359 /nfs/dbraw/zinc/27/23/59/145272359.db2.gz UIGJJPGYJBBTAY-UHFFFAOYSA-N 1 0 323.440 2.412 10 0 DEAERO CC[NH2+][C@H](C)CNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000262333883 145277260 /nfs/dbraw/zinc/27/72/60/145277260.db2.gz FVPMRYNFFBVGAQ-JMSVASOKSA-N 1 0 303.406 2.009 10 0 DEAERO CC(C)Cc1ccc([C@H](CNC2=[NH+]CCCN2)N(C)C)cc1 ZINC000262338188 145277856 /nfs/dbraw/zinc/27/78/56/145277856.db2.gz XQNLDDUDXGXVRL-KRWDZBQOSA-N 1 0 302.466 2.427 10 0 DEAERO CC(C)[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1nc(C2CC2)no1 ZINC000262364926 145279176 /nfs/dbraw/zinc/27/91/76/145279176.db2.gz JDXVFODCUCIJFW-DRZSPHRISA-N 1 0 306.410 2.148 10 0 DEAERO Cc1cc(C)c(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000262391849 145280952 /nfs/dbraw/zinc/28/09/52/145280952.db2.gz BHNRMHNHQHMCIT-KBPBESRZSA-N 1 0 321.852 2.437 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262415707 145281878 /nfs/dbraw/zinc/28/18/78/145281878.db2.gz TYSYZTQWDDPECC-TUKIKUTGSA-N 1 0 304.438 2.089 10 0 DEAERO CC(C)[C@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000262409213 145282342 /nfs/dbraw/zinc/28/23/42/145282342.db2.gz ZDFIQSGGMJMHQI-UAGQMJEPSA-N 1 0 318.465 2.008 10 0 DEAERO CC[NH2+][C@H](C)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000262468593 145286100 /nfs/dbraw/zinc/28/61/00/145286100.db2.gz OFLMVMMFUWLGMK-LALPHHSUSA-N 1 0 303.406 2.009 10 0 DEAERO COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000262490919 145287515 /nfs/dbraw/zinc/28/75/15/145287515.db2.gz LAQFSFXDILFOAN-SLEUVZQESA-N 1 0 306.406 2.269 10 0 DEAERO CN(C)C(=O)c1ccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000262543790 145291610 /nfs/dbraw/zinc/29/16/10/145291610.db2.gz RLSRFRLDEXUHRE-AWEZNQCLSA-N 1 0 303.406 2.105 10 0 DEAERO [NH3+]C1CCC(NC(=O)c2cnc(-c3ccncc3)s2)CC1 ZINC000262547251 145292145 /nfs/dbraw/zinc/29/21/45/145292145.db2.gz MZMKVIUDERFRTB-UHFFFAOYSA-N 1 0 302.403 2.205 10 0 DEAERO C[C@H](C(=O)Nc1ccccc1NC(=O)N1CCCC1)C1C[NH2+]C1 ZINC000262561629 145293337 /nfs/dbraw/zinc/29/33/37/145293337.db2.gz QTGWKHGDKQUYGK-LBPRGKRZSA-N 1 0 316.405 2.108 10 0 DEAERO CCc1nc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)sc1C ZINC000262575857 145294401 /nfs/dbraw/zinc/29/44/01/145294401.db2.gz YDGADXMJSPVYBM-RSAASHCRSA-N 1 0 323.462 2.485 10 0 DEAERO CCC(CC)(C[NH3+])NC(=O)CCc1nc2c(cccc2C)[nH]1 ZINC000262600773 145296248 /nfs/dbraw/zinc/29/62/48/145296248.db2.gz OUCNFCRAYKBDFN-UHFFFAOYSA-N 1 0 302.422 2.438 10 0 DEAERO COCC[NH2+]CCNC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000262665267 145299134 /nfs/dbraw/zinc/29/91/34/145299134.db2.gz OJFGTTYSCIYONG-OAHLLOKOSA-N 1 0 310.463 2.156 10 0 DEAERO CCc1cnc(N2CCN(C(=O)CCCCCC[NH3+])CC2)s1 ZINC000262674233 145299333 /nfs/dbraw/zinc/29/93/33/145299333.db2.gz QPFZSZWNWXDISV-UHFFFAOYSA-N 1 0 324.494 2.263 10 0 DEAERO Cc1cccc2[nH]c(CCC(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)nc21 ZINC000262772909 145304510 /nfs/dbraw/zinc/30/45/10/145304510.db2.gz LNIIDQFUSGBRBZ-STQMWFEESA-N 1 0 300.406 2.013 10 0 DEAERO C[C@@H]1[NH2+]CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)[C@H]1C ZINC000262787910 145304691 /nfs/dbraw/zinc/30/46/91/145304691.db2.gz MQABGMXTYMLVOK-RYUDHWBXSA-N 1 0 318.808 2.348 10 0 DEAERO CCc1ccc([C@@H](C)c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263189005 145334218 /nfs/dbraw/zinc/33/42/18/145334218.db2.gz HQSNJSDHMLHHNR-DOMZBBRYSA-N 1 0 300.406 2.360 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(/C=C/c2ccc3ccccc3n2)n1 ZINC000263214272 145337537 /nfs/dbraw/zinc/33/75/37/145337537.db2.gz KPAHBLILTIRSNR-ROJDOSBLSA-N 1 0 321.384 2.364 10 0 DEAERO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000313394806 145355558 /nfs/dbraw/zinc/35/55/58/145355558.db2.gz SMNLESDHRXSLGD-NSHDSACASA-N 1 0 316.854 2.205 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCC[C@H]1O ZINC000332782838 145388148 /nfs/dbraw/zinc/38/81/48/145388148.db2.gz XSPPTQFPMFXFOO-VDHUWJSZSA-N 1 0 316.445 2.032 10 0 DEAERO CC(=O)N(C)C1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346172277 146030731 /nfs/dbraw/zinc/03/07/31/146030731.db2.gz LJOIMBTXAJZIOJ-UHFFFAOYSA-N 1 0 318.446 2.377 10 0 DEAERO O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261946322 304339550 /nfs/dbraw/zinc/33/95/50/304339550.db2.gz VQASXRZNBSMCSO-BSDSXHPESA-N 1 0 314.429 2.365 10 0 DEAERO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000358703637 147186283 /nfs/dbraw/zinc/18/62/83/147186283.db2.gz HFPMOSNKSWZGKQ-ZDUSSCGKSA-N 1 0 315.421 2.094 10 0 DEAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360711871 147372645 /nfs/dbraw/zinc/37/26/45/147372645.db2.gz GQPGQQPTDBDDOM-CYBMUJFWSA-N 1 0 315.421 2.046 10 0 DEAERO CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)[nH]1 ZINC000370722876 148048729 /nfs/dbraw/zinc/04/87/29/148048729.db2.gz UPIBHDQWPDOZIE-HNNXBMFYSA-N 1 0 312.417 2.176 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372392135 148203350 /nfs/dbraw/zinc/20/33/50/148203350.db2.gz ACEUEJVKIHUMDQ-KBPBESRZSA-N 1 0 318.465 2.239 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3coc(Br)c3)C[C@@H]21 ZINC000374602022 148267752 /nfs/dbraw/zinc/26/77/52/148267752.db2.gz HDQBYIFONQHSLP-INTQDDNPSA-N 1 0 313.195 2.242 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)CC2 ZINC000375264357 148349405 /nfs/dbraw/zinc/34/94/05/148349405.db2.gz YUBIGSIMESJPDJ-KBPBESRZSA-N 1 0 318.465 2.191 10 0 DEAERO CC1CC[NH+](CC(=O)N2CCO[C@H](c3ccsc3)C2)CC1 ZINC000127115575 401721147 /nfs/dbraw/zinc/72/11/47/401721147.db2.gz YTQAYFDWSXHAIW-HNNXBMFYSA-N 1 0 308.447 2.380 10 0 DEAERO COCC[N@H+](C)CCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000127198368 401724105 /nfs/dbraw/zinc/72/41/05/401724105.db2.gz KHHPCHINUNMGBE-INIZCTEOSA-N 1 0 323.412 2.081 10 0 DEAERO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000073989780 401727083 /nfs/dbraw/zinc/72/70/83/401727083.db2.gz DCBKIUDJFJTUIE-GUYCJALGSA-N 1 0 320.408 2.456 10 0 DEAERO COC(=O)[C@H](C)[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccccc1 ZINC000127378903 401732097 /nfs/dbraw/zinc/73/20/97/401732097.db2.gz REIBRJGIBFJSBH-KBMXLJTQSA-N 1 0 323.433 2.302 10 0 DEAERO CCc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000071917788 401697369 /nfs/dbraw/zinc/69/73/69/401697369.db2.gz GSQVXTSMWMZELI-CQSZACIVSA-N 1 0 317.433 2.178 10 0 DEAERO Cc1cnn(CCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000126555553 401699118 /nfs/dbraw/zinc/69/91/18/401699118.db2.gz YVDIYHWEVATTMJ-INIZCTEOSA-N 1 0 300.406 2.001 10 0 DEAERO C[N@H+](C[C@H](O)Cc1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251244 401704200 /nfs/dbraw/zinc/70/42/00/401704200.db2.gz UMDLKJNARAAYNG-RTBURBONSA-N 1 0 324.424 2.327 10 0 DEAERO CNC(=O)[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000111267945 401705891 /nfs/dbraw/zinc/70/58/91/401705891.db2.gz GLNFITCUSRSFID-ZDUSSCGKSA-N 1 0 317.364 2.439 10 0 DEAERO CC1CC[NH+](CCCNC(=O)c2cnn3c2CCCC3)CC1 ZINC000126738110 401706493 /nfs/dbraw/zinc/70/64/93/401706493.db2.gz OBFZHAVLSAWGGT-UHFFFAOYSA-N 1 0 304.438 2.071 10 0 DEAERO CN(C)c1ccc([C@H](C[NH3+])S(=O)(=O)c2cccs2)cc1 ZINC000008037920 401747817 /nfs/dbraw/zinc/74/78/17/401747817.db2.gz PDBQRGRMSCJVCC-ZDUSSCGKSA-N 1 0 310.444 2.288 10 0 DEAERO COc1ccc(C)nc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000127067633 401719092 /nfs/dbraw/zinc/71/90/92/401719092.db2.gz MUWJUESTESNEMO-QWHCGFSZSA-N 1 0 304.394 2.099 10 0 DEAERO C[C@@H](CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)[S@@](C)=O ZINC000129384679 401803525 /nfs/dbraw/zinc/80/35/25/401803525.db2.gz AEPYPICSRUVAPJ-FVINQWEUSA-N 1 0 317.838 2.358 10 0 DEAERO CCOc1c(C[NH2+]CCCN2CCCC2=O)cccc1OC ZINC000013727713 401804060 /nfs/dbraw/zinc/80/40/60/401804060.db2.gz FZCLLALSTMXRFM-UHFFFAOYSA-N 1 0 306.406 2.196 10 0 DEAERO COc1ccccc1OCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129662674 401807160 /nfs/dbraw/zinc/80/71/60/401807160.db2.gz DZYQRPIEFKJGGI-UHFFFAOYSA-N 1 0 320.433 2.311 10 0 DEAERO NC(=O)NC(=O)OCCC[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127803981 401751148 /nfs/dbraw/zinc/75/11/48/401751148.db2.gz COHPIXMSOIFPIC-UHFFFAOYSA-N 1 0 321.352 2.110 10 0 DEAERO CCn1cc(C[N@@H+]2CCCN(c3cc(C)nc(C)n3)CC2)cn1 ZINC000112695458 401754108 /nfs/dbraw/zinc/75/41/08/401754108.db2.gz CNGXZDRSBFDBHF-UHFFFAOYSA-N 1 0 314.437 2.022 10 0 DEAERO [NH3+]CCN[C@H]1CCCc2sc(I)cc21 ZINC000127925812 401756062 /nfs/dbraw/zinc/75/60/62/401756062.db2.gz SUCNBCVEVCJWNV-QMMMGPOBSA-N 1 0 322.215 2.278 10 0 DEAERO COc1ccc(C)nc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128063356 401761427 /nfs/dbraw/zinc/76/14/27/401761427.db2.gz GZNZCHMZZRSZFT-CHWSQXEVSA-N 1 0 306.410 2.345 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cncn1-c1ccc(F)cc1 ZINC000075609355 401764419 /nfs/dbraw/zinc/76/44/19/401764419.db2.gz LBTKLLQPUFCEKR-ZDUSSCGKSA-N 1 0 318.396 2.472 10 0 DEAERO CCNC(=O)NC(=O)[C@H](C)[N@H+](Cc1ccco1)C1CCCC1 ZINC000128170685 401765928 /nfs/dbraw/zinc/76/59/28/401765928.db2.gz LZYDNPYLGDJKJQ-LBPRGKRZSA-N 1 0 307.394 2.258 10 0 DEAERO Cn1c(CN2CC[C@H](C[NH+]3CCCCC3)C2)nnc1C1CC1 ZINC000075834636 401769536 /nfs/dbraw/zinc/76/95/36/401769536.db2.gz CWPRJRYAOFNLRJ-CQSZACIVSA-N 1 0 303.454 2.000 10 0 DEAERO Cc1c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cnn1-c1ccccc1 ZINC000113224757 401770592 /nfs/dbraw/zinc/77/05/92/401770592.db2.gz SUECECRERBXQJL-YOEHRIQHSA-N 1 0 324.428 2.489 10 0 DEAERO COc1ccc(C)cc1NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113267637 401773865 /nfs/dbraw/zinc/77/38/65/401773865.db2.gz JJLGOTRWQGXBCA-GJZGRUSLSA-N 1 0 317.433 2.111 10 0 DEAERO COc1ccc(C)cc1NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113267641 401773953 /nfs/dbraw/zinc/77/39/53/401773953.db2.gz JJLGOTRWQGXBCA-LSDHHAIUSA-N 1 0 317.433 2.111 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)CC1CCCCC1 ZINC000113267051 401773965 /nfs/dbraw/zinc/77/39/65/401773965.db2.gz IZTCJNZEKABZPC-DOTOQJQBSA-N 1 0 307.482 2.194 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCCC1CCCCC1 ZINC000113267074 401774049 /nfs/dbraw/zinc/77/40/49/401774049.db2.gz IOLAYDINCYPXDA-DOTOQJQBSA-N 1 0 307.482 2.242 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(CCCOc2ccccc2C)CC1 ZINC000075961615 401775167 /nfs/dbraw/zinc/77/51/67/401775167.db2.gz YKHSEZZZZUKJFP-QGZVFWFLSA-N 1 0 306.450 2.152 10 0 DEAERO COc1cccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000128463135 401778118 /nfs/dbraw/zinc/77/81/18/401778118.db2.gz GMLOMOLZHXISLG-KDOFPFPSSA-N 1 0 318.417 2.261 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCc1ccccc1 ZINC000113577368 401782687 /nfs/dbraw/zinc/78/26/87/401782687.db2.gz ITYKBDOJRTUYOW-NVXWUHKLSA-N 1 0 301.434 2.497 10 0 DEAERO COc1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1OC ZINC000128562492 401783049 /nfs/dbraw/zinc/78/30/49/401783049.db2.gz BZLOVCRIYUBGLO-AWEZNQCLSA-N 1 0 316.405 2.208 10 0 DEAERO CC(C)NC(=O)CCN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000076120065 401783569 /nfs/dbraw/zinc/78/35/69/401783569.db2.gz JDYRGTWSFWMQDG-QGZVFWFLSA-N 1 0 317.477 2.498 10 0 DEAERO Cc1cccn2c(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)cnc12 ZINC000128604080 401784755 /nfs/dbraw/zinc/78/47/55/401784755.db2.gz HJHBFKLQBWNXLG-OAHLLOKOSA-N 1 0 310.405 2.146 10 0 DEAERO CCOc1ncccc1C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000076489331 401796630 /nfs/dbraw/zinc/79/66/30/401796630.db2.gz ONHJZDQGSAMIIG-UKRRQHHQSA-N 1 0 305.422 2.283 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](CCO)c1ccccc1 ZINC000077774002 401830277 /nfs/dbraw/zinc/83/02/77/401830277.db2.gz COCJRVYFSCZVJD-DOTOQJQBSA-N 1 0 321.465 2.182 10 0 DEAERO CC(C)CC[C@@](C)(O)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000077776961 401830668 /nfs/dbraw/zinc/83/06/68/401830668.db2.gz NTAIVTVQHJLVRP-DOTOQJQBSA-N 1 0 315.502 2.449 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(OC)c(F)c1 ZINC000077793589 401831991 /nfs/dbraw/zinc/83/19/91/401831991.db2.gz ZQEKAVCKWWIUOS-GFCCVEGCSA-N 1 0 311.401 2.364 10 0 DEAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116311820 401849591 /nfs/dbraw/zinc/84/95/91/401849591.db2.gz GXAOVABWDUJWKS-VYDXJSESSA-N 1 0 318.465 2.247 10 0 DEAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccco2)C1 ZINC000131732415 401855606 /nfs/dbraw/zinc/85/56/06/401855606.db2.gz ZGECPXWPRQDHTE-ZIAGYGMSSA-N 1 0 312.435 2.088 10 0 DEAERO Cc1ccc(C[NH+]2CCN(c3cc(C)nc4ncnn43)CC2)cc1 ZINC000029721326 401857795 /nfs/dbraw/zinc/85/77/95/401857795.db2.gz CNAVDDGIHUJNEH-UHFFFAOYSA-N 1 0 322.416 2.063 10 0 DEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)CCO1 ZINC000116788422 401859208 /nfs/dbraw/zinc/85/92/08/401859208.db2.gz SSLAINNTISKSGD-MRXNPFEDSA-N 1 0 304.434 2.387 10 0 DEAERO CCCn1cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cn1 ZINC000116918095 401864388 /nfs/dbraw/zinc/86/43/88/401864388.db2.gz XGDOZUNRKDQQMF-MRXNPFEDSA-N 1 0 312.417 2.468 10 0 DEAERO CC(C)COc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000117009392 401867035 /nfs/dbraw/zinc/86/70/35/401867035.db2.gz XCTWNEWTJWJNSY-CQSZACIVSA-N 1 0 306.410 2.284 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135229660 401931419 /nfs/dbraw/zinc/93/14/19/401931419.db2.gz KSEMINFWWXTQOP-IRXDYDNUSA-N 1 0 318.417 2.167 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000119192676 401932216 /nfs/dbraw/zinc/93/22/16/401932216.db2.gz NLAWIWCCAUAYCW-CJNGLKHVSA-N 1 0 323.437 2.401 10 0 DEAERO CC[C@H]1CN(C(=O)CCc2ccccc2C)CC[N@@H+]1CCOC ZINC000117304416 401873678 /nfs/dbraw/zinc/87/36/78/401873678.db2.gz GPRCBPZXANCMCP-SFHVURJKSA-N 1 0 318.461 2.497 10 0 DEAERO CC[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC000117308492 401874371 /nfs/dbraw/zinc/87/43/71/401874371.db2.gz WYVSTJBNCVDEGK-MRXNPFEDSA-N 1 0 324.852 2.452 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(F)cc1C ZINC000032073045 401876244 /nfs/dbraw/zinc/87/62/44/401876244.db2.gz QNJCMBOLEHPASS-GFCCVEGCSA-N 1 0 302.415 2.143 10 0 DEAERO O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccccc1OC1CCC1 ZINC000133014934 401878054 /nfs/dbraw/zinc/87/80/54/401878054.db2.gz VMJCHQJWGYFLTN-CQSZACIVSA-N 1 0 320.458 2.329 10 0 DEAERO CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000133307127 401881593 /nfs/dbraw/zinc/88/15/93/401881593.db2.gz LDEVXAUEXCSOHM-ZDUSSCGKSA-N 1 0 304.438 2.209 10 0 DEAERO CC[N@H+](C)[C@@H](C(=O)NCCn1cc(C)cn1)c1ccccc1 ZINC000117809958 401885330 /nfs/dbraw/zinc/88/53/30/401885330.db2.gz OONGWZPZCKPUEB-MRXNPFEDSA-N 1 0 300.406 2.001 10 0 DEAERO Cc1cnn(CCNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000118060303 401890247 /nfs/dbraw/zinc/89/02/47/401890247.db2.gz VOCPCWHDQFELGZ-OAHLLOKOSA-N 1 0 321.469 2.003 10 0 DEAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000033683707 401891697 /nfs/dbraw/zinc/89/16/97/401891697.db2.gz MHKOOYZCGVYVGP-SNVBAGLBSA-N 1 0 323.245 2.318 10 0 DEAERO CCC[N@H+](CC(=O)NC)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084076239 401902007 /nfs/dbraw/zinc/90/20/07/401902007.db2.gz SYFOHBYQNIVRCY-UHFFFAOYSA-N 1 0 323.462 2.418 10 0 DEAERO CN1C[C@@H]([NH2+]Cc2ccc(F)cc2Br)CCC1=O ZINC000084088681 401902022 /nfs/dbraw/zinc/90/20/22/401902022.db2.gz KNZIQNHBOQTYON-NSHDSACASA-N 1 0 315.186 2.299 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2F)CCO1 ZINC000118795358 401907900 /nfs/dbraw/zinc/90/79/00/401907900.db2.gz KYBQODXKJTVRRY-NSHDSACASA-N 1 0 315.776 2.273 10 0 DEAERO CC[C@@]1(C(=O)NC2CCN(c3cccc(C)n3)CC2)CCC[NH2+]1 ZINC000134606637 401908648 /nfs/dbraw/zinc/90/86/48/401908648.db2.gz IBPINTREOXOZFX-SFHVURJKSA-N 1 0 316.449 2.007 10 0 DEAERO CC[C@@H](COC)[NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000119025376 401919923 /nfs/dbraw/zinc/91/99/23/401919923.db2.gz RCANVSNXNSNDKI-GJZGRUSLSA-N 1 0 312.479 2.444 10 0 DEAERO CCOC(=O)C(C)(C)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000134978200 401922752 /nfs/dbraw/zinc/92/27/52/401922752.db2.gz ACDXLCKFBWERDJ-AWEZNQCLSA-N 1 0 310.438 2.053 10 0 DEAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)s1 ZINC000119068734 401923523 /nfs/dbraw/zinc/92/35/23/401923523.db2.gz KSQYNERZSHQQLD-GFCCVEGCSA-N 1 0 320.418 2.038 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCCO1 ZINC000119068149 401923644 /nfs/dbraw/zinc/92/36/44/401923644.db2.gz YJHBVDDVLIFJJQ-QGZVFWFLSA-N 1 0 302.418 2.468 10 0 DEAERO CCC[C@@H](C(=O)NCCCN1CCc2ccccc21)[NH+](C)C ZINC000135008146 401923675 /nfs/dbraw/zinc/92/36/75/401923675.db2.gz KTEUAVQQSIZRLL-KRWDZBQOSA-N 1 0 303.450 2.286 10 0 DEAERO O=S(=O)([C@@H]1CC[N@H+](CC2CCCCC2)C1)N1CCCC1 ZINC000135750314 401952457 /nfs/dbraw/zinc/95/24/57/401952457.db2.gz ZBKRQXCTRCDBCZ-OAHLLOKOSA-N 1 0 300.468 2.067 10 0 DEAERO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000089615615 401954182 /nfs/dbraw/zinc/95/41/82/401954182.db2.gz UODPOFUOLUDVGK-QWHCGFSZSA-N 1 0 308.451 2.030 10 0 DEAERO O=C(/C=C/c1ccc(Cl)nc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000119557000 401958722 /nfs/dbraw/zinc/95/87/22/401958722.db2.gz JSLIBKGQKXMFEL-HZRUHFOJSA-N 1 0 305.809 2.445 10 0 DEAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCCCn1ccnc1C ZINC000119574781 401959232 /nfs/dbraw/zinc/95/92/32/401959232.db2.gz LWSPUDVNDWKHJD-INIZCTEOSA-N 1 0 306.454 2.305 10 0 DEAERO Cc1ccc(CN(C)C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000046750990 401972290 /nfs/dbraw/zinc/97/22/90/401972290.db2.gz CEEGIFTWEMFQBB-UHFFFAOYSA-N 1 0 319.449 2.249 10 0 DEAERO CCOc1ccccc1NC(=O)CCN1CC[NH+](C2CC2)CC1 ZINC000136766942 401973468 /nfs/dbraw/zinc/97/34/68/401973468.db2.gz JSYYVZNRIXIJOZ-UHFFFAOYSA-N 1 0 317.433 2.194 10 0 DEAERO COc1cc(C)cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1O ZINC000137106831 401979095 /nfs/dbraw/zinc/97/90/95/401979095.db2.gz XLPIWWAAJCHOCF-ZDUSSCGKSA-N 1 0 308.422 2.415 10 0 DEAERO COc1ccc([C@H](C)NC(=O)C[C@H]2CSCC[NH2+]2)cc1F ZINC000091135122 401994395 /nfs/dbraw/zinc/99/43/95/401994395.db2.gz UUFOJWBBFDJNJM-JQWIXIFHSA-N 1 0 312.410 2.107 10 0 DEAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccccc2Cl)[C@@H](C)C1 ZINC000150778754 401995536 /nfs/dbraw/zinc/99/55/36/401995536.db2.gz LTKDGQBBOFVCKP-FZMZJTMJSA-N 1 0 323.824 2.123 10 0 DEAERO CCc1ccccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000150792027 401996160 /nfs/dbraw/zinc/99/61/60/401996160.db2.gz HFZVNUPRDXTYTJ-XJKSGUPXSA-N 1 0 317.433 2.032 10 0 DEAERO COCCC1(C(=O)NC2CCN(c3ccc(C)cn3)CC2)CC1 ZINC000151119135 402016809 /nfs/dbraw/zinc/01/68/09/402016809.db2.gz LUZAQHYUBNOLQP-UHFFFAOYSA-N 1 0 317.433 2.292 10 0 DEAERO C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2N2CCOCC2)CCN1C ZINC000093644805 402017608 /nfs/dbraw/zinc/01/76/08/402017608.db2.gz MPYZHOQSAUYFTH-SJLPKXTDSA-N 1 0 317.477 2.438 10 0 DEAERO COc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1F ZINC000151272685 402026864 /nfs/dbraw/zinc/02/68/64/402026864.db2.gz AZAIPVBRJRFXKG-ZFWWWQNUSA-N 1 0 310.413 2.332 10 0 DEAERO NNc1[nH+]cc(Br)cc1C(=O)NCc1ccccc1 ZINC000051092342 402031260 /nfs/dbraw/zinc/03/12/60/402031260.db2.gz XEBGCDLHBNQGBF-UHFFFAOYSA-N 1 0 321.178 2.060 10 0 DEAERO COCC[N@H+](C)CCCNC(=O)Nc1ccc2oc(C)nc2c1 ZINC000121423732 402035112 /nfs/dbraw/zinc/03/51/12/402035112.db2.gz ODPOFXQIBRRXNC-UHFFFAOYSA-N 1 0 320.393 2.226 10 0 DEAERO Cn1c(CN2CCC[C@@H]2C[C@H](O)c2ccco2)nnc1C1CC1 ZINC000151670393 402049508 /nfs/dbraw/zinc/04/95/08/402049508.db2.gz QNHSILUGWMSSSM-KGLIPLIRSA-N 1 0 316.405 2.374 10 0 DEAERO CC1(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000150865272 402001442 /nfs/dbraw/zinc/00/14/42/402001442.db2.gz RPIQGEIEVAUPIQ-KRWDZBQOSA-N 1 0 316.445 2.348 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(-c3ccncc3)on2)CC[N@@H+]1C ZINC000123283924 402119962 /nfs/dbraw/zinc/11/99/62/402119962.db2.gz KNYIGTODTSMFSY-OCCSQVGLSA-N 1 0 314.389 2.291 10 0 DEAERO COc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1F ZINC000152125442 402077213 /nfs/dbraw/zinc/07/72/13/402077213.db2.gz KQOREINFBPQNDJ-OCCSQVGLSA-N 1 0 306.381 2.391 10 0 DEAERO Cc1nc(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)no1 ZINC000122417943 402077423 /nfs/dbraw/zinc/07/74/23/402077423.db2.gz RGVBRKICGJYDHC-QGZVFWFLSA-N 1 0 314.389 2.163 10 0 DEAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCC2=CCCC2)CC1 ZINC000122476398 402080314 /nfs/dbraw/zinc/08/03/14/402080314.db2.gz VSBCVBZOEWHHQB-INIZCTEOSA-N 1 0 322.497 2.060 10 0 DEAERO [NH3+][C@H]1CC[C@H](C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000152323273 402089406 /nfs/dbraw/zinc/08/94/06/402089406.db2.gz QHSFTQCUSSHUDZ-AAEUAGOBSA-N 1 0 323.824 2.302 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccccc2F)CC[N@@H+]1C ZINC000123310910 402121049 /nfs/dbraw/zinc/12/10/49/402121049.db2.gz MATFSKGNDDKTQQ-GDBMZVCRSA-N 1 0 321.440 2.199 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)COCCOc2ccccc2)CC[N@@H+]1C ZINC000122776965 402093803 /nfs/dbraw/zinc/09/38/03/402093803.db2.gz JBXGSOTVKASOLO-CVEARBPZSA-N 1 0 320.433 2.023 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)COCCOc2ccccc2)CC[N@@H+]1C ZINC000122777163 402093818 /nfs/dbraw/zinc/09/38/18/402093818.db2.gz JBXGSOTVKASOLO-HOTGVXAUSA-N 1 0 320.433 2.023 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(OC)c(F)c2)C1 ZINC000057825368 402097071 /nfs/dbraw/zinc/09/70/71/402097071.db2.gz NQEYABLZZDRSEF-ZDUSSCGKSA-N 1 0 309.385 2.118 10 0 DEAERO COc1ccc(CCCC(=O)N2CC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000152571307 402100634 /nfs/dbraw/zinc/10/06/34/402100634.db2.gz PRCUHHZJBNFFEP-HNNXBMFYSA-N 1 0 320.433 2.189 10 0 DEAERO CC(C)COC[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccco1 ZINC000152570802 402101088 /nfs/dbraw/zinc/10/10/88/402101088.db2.gz UMAQGUWSBUJCHV-AWEZNQCLSA-N 1 0 309.410 2.126 10 0 DEAERO COc1ccc(OC)c(CC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000097327098 402121538 /nfs/dbraw/zinc/12/15/38/402121538.db2.gz GTNJHPWFCNDQQD-CQSZACIVSA-N 1 0 320.433 2.237 10 0 DEAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(Cl)cn2)C1 ZINC000097049623 402102763 /nfs/dbraw/zinc/10/27/63/402102763.db2.gz ORURRGCYUBTQKT-DOMZBBRYSA-N 1 0 322.840 2.361 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCOc3ccccc32)CC[N@@H+]1C ZINC000122962246 402103554 /nfs/dbraw/zinc/10/35/54/402103554.db2.gz GRZSSJKJGHBQSE-IIAWOOMASA-N 1 0 302.418 2.494 10 0 DEAERO CC(=O)c1cccc(OCC(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000060524114 402105449 /nfs/dbraw/zinc/10/54/49/402105449.db2.gz QMIKHXCNALEBID-AWEZNQCLSA-N 1 0 318.417 2.259 10 0 DEAERO COCc1ccc(CNC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061862379 402108883 /nfs/dbraw/zinc/10/88/83/402108883.db2.gz UJYUFMCKGJTHMX-UHFFFAOYSA-N 1 0 317.433 2.213 10 0 DEAERO CCCNC(=O)COc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000063457391 402112554 /nfs/dbraw/zinc/11/25/54/402112554.db2.gz LZAQWKIYRHGHQP-UHFFFAOYSA-N 1 0 320.433 2.456 10 0 DEAERO CN1CCO[C@@H](CNC(=O)N2CCCCC[C@@H]2c2ccco2)C1 ZINC000152910713 402116616 /nfs/dbraw/zinc/11/66/16/402116616.db2.gz POZBBIFVBFPEAX-LSDHHAIUSA-N 1 0 321.421 2.237 10 0 DEAERO COc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c2cccnc12 ZINC000123229985 402116971 /nfs/dbraw/zinc/11/69/71/402116971.db2.gz NYSFHZKSBWTSFB-GFCCVEGCSA-N 1 0 314.389 2.411 10 0 DEAERO CCc1ccc([C@H](CNC(=O)NC[C@@H](O)C(C)C)[NH+](C)C)cc1 ZINC000152948002 402118533 /nfs/dbraw/zinc/11/85/33/402118533.db2.gz OMHCKGZPKJSZSG-DLBZAZTESA-N 1 0 321.465 2.168 10 0 DEAERO CC[C@](C)(O)C[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000123424065 402127233 /nfs/dbraw/zinc/12/72/33/402127233.db2.gz YTTUXGPQMYBVIR-KRWDZBQOSA-N 1 0 308.397 2.053 10 0 DEAERO COCc1cc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)ccc1OC ZINC000123442718 402128059 /nfs/dbraw/zinc/12/80/59/402128059.db2.gz ULRYLEYMXXFLCK-LSDHHAIUSA-N 1 0 322.449 2.213 10 0 DEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](C)N1CCOCC1 ZINC000123491980 402130860 /nfs/dbraw/zinc/13/08/60/402130860.db2.gz DEBUBZZHGKKAFG-KSSFIOAISA-N 1 0 304.434 2.383 10 0 DEAERO C[N@@H+]1CCO[C@H]2CN(c3ccnc4cc(Cl)ccc43)C[C@@H]21 ZINC000153183997 402131422 /nfs/dbraw/zinc/13/14/22/402131422.db2.gz MSAYLTYGPLSKAJ-HOTGVXAUSA-N 1 0 303.793 2.407 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc2c(c1)OCO2 ZINC000123341117 402122645 /nfs/dbraw/zinc/12/26/45/402122645.db2.gz DDIKKLAAYFDRLZ-CQSZACIVSA-N 1 0 321.421 2.191 10 0 DEAERO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000103322929 402185328 /nfs/dbraw/zinc/18/53/28/402185328.db2.gz KEBIGWYCGMPQKI-ZDUSSCGKSA-N 1 0 321.396 2.063 10 0 DEAERO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000103480604 402190643 /nfs/dbraw/zinc/19/06/43/402190643.db2.gz ZYVLKCTVWLMZNG-INIZCTEOSA-N 1 0 304.390 2.329 10 0 DEAERO CC(=O)NC[C@@H]1CC[N@H+](Cc2c(C)nc3ccc(Cl)cn32)C1 ZINC000067489803 402161365 /nfs/dbraw/zinc/16/13/65/402161365.db2.gz JPXPDIFUVPQQBG-ZDUSSCGKSA-N 1 0 320.824 2.254 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1nnc(C(F)F)s1 ZINC000067586566 402163821 /nfs/dbraw/zinc/16/38/21/402163821.db2.gz MEWCNXMZESCBKJ-ZETCQYMHSA-N 1 0 307.370 2.328 10 0 DEAERO C[C@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000067699394 402168493 /nfs/dbraw/zinc/16/84/93/402168493.db2.gz WLUMEXBQPPPWBS-RDJZCZTQSA-N 1 0 323.481 2.461 10 0 DEAERO CC[C@@H](O)CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000124199657 402168776 /nfs/dbraw/zinc/16/87/76/402168776.db2.gz PPUAONCHHNNBAK-UONOGXRCSA-N 1 0 300.443 2.384 10 0 DEAERO CCOCCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067734296 402170594 /nfs/dbraw/zinc/17/05/94/402170594.db2.gz LPKKJOWFLCHGOF-KRWDZBQOSA-N 1 0 319.449 2.377 10 0 DEAERO CC1CC[NH+](CCN2CCC(Cc3nccn3C)CC2)CC1 ZINC000153822850 402172328 /nfs/dbraw/zinc/17/23/28/402172328.db2.gz IGDHLGOZEUJSFU-UHFFFAOYSA-N 1 0 304.482 2.407 10 0 DEAERO CC(=O)N[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000153871482 402176351 /nfs/dbraw/zinc/17/63/51/402176351.db2.gz KJTWBGMAVASGMN-KRWDZBQOSA-N 1 0 312.417 2.486 10 0 DEAERO CC[C@H](C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1)[NH+](C)C ZINC000125258893 402222324 /nfs/dbraw/zinc/22/23/24/402222324.db2.gz XILYEFQGIKVGNL-WMLDXEAASA-N 1 0 319.449 2.120 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000106918104 402222293 /nfs/dbraw/zinc/22/22/93/402222293.db2.gz OIQASKUUHWZUNN-GOSISDBHSA-N 1 0 317.477 2.150 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000106912617 402222701 /nfs/dbraw/zinc/22/27/01/402222701.db2.gz NMKPPBGNKMSQBQ-IAGOWNOFSA-N 1 0 310.397 2.409 10 0 DEAERO C[NH+](C)CC1CCC(NC(=O)NCCc2cscn2)CC1 ZINC000125271641 402223230 /nfs/dbraw/zinc/22/32/30/402223230.db2.gz KJPNPNAAXGBBFA-UHFFFAOYSA-N 1 0 310.467 2.105 10 0 DEAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000070739940 402264057 /nfs/dbraw/zinc/26/40/57/402264057.db2.gz 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/nfs/dbraw/zinc/26/04/63/402260463.db2.gz YMOHAGGFRMJKKS-CYBMUJFWSA-N 1 0 318.808 2.481 10 0 DEAERO CCc1ccc(-c2cc3c(N4CC[C@@H]([NH3+])C4)nccn3n2)cc1 ZINC000070459315 402261427 /nfs/dbraw/zinc/26/14/27/402261427.db2.gz VMARXSDMDFNHDC-OAHLLOKOSA-N 1 0 307.401 2.496 10 0 DEAERO C[C@H](CNC(=O)N1CCO[C@@H](c2ccsc2)C1)[N@H+](C)C1CC1 ZINC000124968655 402206265 /nfs/dbraw/zinc/20/62/65/402206265.db2.gz HNDRSOXAQKMQIB-IUODEOHRSA-N 1 0 323.462 2.314 10 0 DEAERO Cc1ccsc1CNC(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000108865280 402263015 /nfs/dbraw/zinc/26/30/15/402263015.db2.gz ITGWBZOQOQYDKP-UHFFFAOYSA-N 1 0 321.490 2.233 10 0 DEAERO CCn1cc(CN2CCCN(C(=O)CCC(C)C)CC2)cn1 ZINC000105828842 402209988 /nfs/dbraw/zinc/20/99/88/402209988.db2.gz MTCTXLSMRWKTAX-UHFFFAOYSA-N 1 0 306.454 2.374 10 0 DEAERO CC(C)(C)CCNC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105887148 402210314 /nfs/dbraw/zinc/21/03/14/402210314.db2.gz IYBAUXXONVCBPW-UHFFFAOYSA-N 1 0 306.454 2.148 10 0 DEAERO CN(CCCn1ccnc1)C(=O)NC1CCC(C[NH+](C)C)CC1 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C[C@@H](CC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C1CC[NH2+]CC1 ZINC000237318591 402404217 /nfs/dbraw/zinc/40/42/17/402404217.db2.gz QLYBDBTYXUXBFG-XJKSGUPXSA-N 1 0 304.438 2.489 10 0 DEAERO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000177473535 402406709 /nfs/dbraw/zinc/40/67/09/402406709.db2.gz OMYLEVODDVPQEC-HBUWYVDXSA-N 1 0 318.417 2.137 10 0 DEAERO COc1ccc(CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000237512708 402410767 /nfs/dbraw/zinc/41/07/67/402410767.db2.gz MYYJXQBUJPXDGW-XYPWUTKMSA-N 1 0 302.418 2.369 10 0 DEAERO CCO[C@H]1C[C@H]([NH2+]Cc2cn3ccccc3n2)C12CCOCC2 ZINC000186211632 402410757 /nfs/dbraw/zinc/41/07/57/402410757.db2.gz CISRECOJWMKYJY-HOTGVXAUSA-N 1 0 315.417 2.398 10 0 DEAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1cccc(N2CCCC2=O)c1 ZINC000237530448 402411453 /nfs/dbraw/zinc/41/14/53/402411453.db2.gz YKTOCEJCGDBWEY-AEGPPILISA-N 1 0 315.417 2.118 10 0 DEAERO COC(=O)c1ccc(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000163474504 402450480 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Cc1cc(C)cc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177693450 402427183 /nfs/dbraw/zinc/42/71/83/402427183.db2.gz USDMBYWKZFPUHC-DOTOQJQBSA-N 1 0 317.433 2.488 10 0 DEAERO O=C([C@H]1CC12CC[NH2+]CC2)N1CCC[C@H](c2nccs2)C1 ZINC000237992663 402430610 /nfs/dbraw/zinc/43/06/10/402430610.db2.gz UZRFKSNTSKCMSP-QWHCGFSZSA-N 1 0 305.447 2.239 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccnn1C(C)(C)C ZINC000186455753 402432389 /nfs/dbraw/zinc/43/23/89/402432389.db2.gz MQUCPSDVXGKNJH-CHWSQXEVSA-N 1 0 305.426 2.339 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC000177765704 402433873 /nfs/dbraw/zinc/43/38/73/402433873.db2.gz CBBNCMSCDBBGTC-CYBMUJFWSA-N 1 0 300.406 2.438 10 0 DEAERO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177844895 402440861 /nfs/dbraw/zinc/44/08/61/402440861.db2.gz CJMNYDADEDEDCV-WCQYABFASA-N 1 0 315.410 2.449 10 0 DEAERO Cc1cccc(C)c1NCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186550687 402441298 /nfs/dbraw/zinc/44/12/98/402441298.db2.gz 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C[C@@H](CNC(=O)NCCCc1ccccn1)C[NH+]1CCCCC1 ZINC000179181937 402579001 /nfs/dbraw/zinc/57/90/01/402579001.db2.gz BWPIGFBANBVINH-INIZCTEOSA-N 1 0 318.465 2.435 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C(N)=O)cc1 ZINC000179191167 402579270 /nfs/dbraw/zinc/57/92/70/402579270.db2.gz DVXAHURKROKFHK-OAHLLOKOSA-N 1 0 318.421 2.027 10 0 DEAERO CSCC[C@@H](NC(=O)C[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000171360324 402580898 /nfs/dbraw/zinc/58/08/98/402580898.db2.gz GCKSTEFSNKQCDM-CYBMUJFWSA-N 1 0 306.435 2.035 10 0 DEAERO CSCC[C@H](NC(=O)C[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000171360318 402580981 /nfs/dbraw/zinc/58/09/81/402580981.db2.gz GCKSTEFSNKQCDM-ZDUSSCGKSA-N 1 0 306.435 2.035 10 0 DEAERO CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248045572 402581250 /nfs/dbraw/zinc/58/12/50/402581250.db2.gz UVXOYTYXLDMHJK-HKUYNNGSSA-N 1 0 316.445 2.272 10 0 DEAERO CC[C@@H]1CN(Cc2cccc(COC)c2)CC[N@@H+]1CCOC ZINC000179212989 402581614 /nfs/dbraw/zinc/58/16/14/402581614.db2.gz DBVKGQMWGCRFPV-GOSISDBHSA-N 1 0 306.450 2.376 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC(C)(C)c2ccc(F)cc2)C1 ZINC000171373358 402582141 /nfs/dbraw/zinc/58/21/41/402582141.db2.gz LBXBZRRWIVSQRE-OAHLLOKOSA-N 1 0 307.413 2.449 10 0 DEAERO CC[C@@H](C)CS(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000179316275 402584543 /nfs/dbraw/zinc/58/45/43/402584543.db2.gz SLTIYWQLRSVUTI-ZBFHGGJFSA-N 1 0 312.479 2.125 10 0 DEAERO CC(C)N1CCC[C@H](N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1=O ZINC000248368001 402588000 /nfs/dbraw/zinc/58/80/00/402588000.db2.gz USCPLTOMZALEMW-IKGGRYGDSA-N 1 0 307.482 2.333 10 0 DEAERO C[C@]1(O)CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000248370874 402588066 /nfs/dbraw/zinc/58/80/66/402588066.db2.gz YAXJUEFJVQIWKL-YGRLFVJLSA-N 1 0 320.216 2.190 10 0 DEAERO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000248459850 402592077 /nfs/dbraw/zinc/59/20/77/402592077.db2.gz NYNGHNNIPVUUEE-HUUCEWRRSA-N 1 0 317.433 2.327 10 0 DEAERO c1cc(N2CCCC2)ncc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000179729941 402598838 /nfs/dbraw/zinc/59/88/38/402598838.db2.gz QKHRRKUWUAJQEK-UHFFFAOYSA-N 1 0 300.450 2.352 10 0 DEAERO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CCCOC1 ZINC000171593395 402599147 /nfs/dbraw/zinc/59/91/47/402599147.db2.gz QCJZHPCWQWELIZ-KRWDZBQOSA-N 1 0 317.433 2.261 10 0 DEAERO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)[C@@H]1CCOC1 ZINC000179743315 402599778 /nfs/dbraw/zinc/59/97/78/402599778.db2.gz PMTGHRHQSFDFQN-UONOGXRCSA-N 1 0 305.422 2.392 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@H](O)COCC(C)C ZINC000171625358 402602677 /nfs/dbraw/zinc/60/26/77/402602677.db2.gz QHBSCIUALVPUOR-HOTGVXAUSA-N 1 0 309.454 2.207 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1nc2cccnc2s1 ZINC000248687352 402603341 /nfs/dbraw/zinc/60/33/41/402603341.db2.gz AQXOCBKOCQDECB-NEPJUHHUSA-N 1 0 316.430 2.390 10 0 DEAERO CCCCn1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c(C)n1 ZINC000248683462 402603549 /nfs/dbraw/zinc/60/35/49/402603549.db2.gz GKONYVBMKDYZLT-CJNGLKHVSA-N 1 0 306.454 2.450 10 0 DEAERO Cc1ccc(NC(=O)[C@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000171640420 402604912 /nfs/dbraw/zinc/60/49/12/402604912.db2.gz GBJVUHJTBMQMSG-UONOGXRCSA-N 1 0 305.397 2.241 10 0 DEAERO CCOCC[N@@H+]1CCN(c2nccnc2OC(C)C)C[C@@H]1CC ZINC000180029241 402605518 /nfs/dbraw/zinc/60/55/18/402605518.db2.gz ATJOBCFUMRIFOS-HNNXBMFYSA-N 1 0 322.453 2.201 10 0 DEAERO CCC1(CC)[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)[C@H]1OC ZINC000248737418 402606052 /nfs/dbraw/zinc/60/60/52/402606052.db2.gz COTRZDOFFRLSOA-IGQOVBAYSA-N 1 0 305.484 2.096 10 0 DEAERO C[C@H](O)c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000171672864 402608510 /nfs/dbraw/zinc/60/85/10/402608510.db2.gz BVYLSPJLYKXLDI-WMLDXEAASA-N 1 0 317.433 2.120 10 0 DEAERO COC(=O)CC1(CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCCC1 ZINC000248856565 402611624 /nfs/dbraw/zinc/61/16/24/402611624.db2.gz RHYDQEIRACNJSH-LSDHHAIUSA-N 1 0 324.465 2.345 10 0 DEAERO Cc1cc2ncc([C@@H](C)[NH2+]CC3(C)OCCCO3)c(C)n2n1 ZINC000190672501 402617795 /nfs/dbraw/zinc/61/77/95/402617795.db2.gz OBXKJGTVVPNUGV-GFCCVEGCSA-N 1 0 304.394 2.150 10 0 DEAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)NCC2CC2)C1 ZINC000190689364 402618227 /nfs/dbraw/zinc/61/82/27/402618227.db2.gz KVHXIYALHYFYBI-AWEZNQCLSA-N 1 0 322.478 2.325 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2snnc2C(C)(C)C)C1 ZINC000249081300 402619464 /nfs/dbraw/zinc/61/94/64/402619464.db2.gz RQJRIYUMBUGRBJ-GHMZBOCLSA-N 1 0 310.467 2.294 10 0 DEAERO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc2c(c1)OCCO2 ZINC000180595779 402620748 /nfs/dbraw/zinc/62/07/48/402620748.db2.gz JDFNGGCAKQIOGL-KBPBESRZSA-N 1 0 314.389 2.105 10 0 DEAERO COCc1cc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)ccc1OC ZINC000180599857 402621239 /nfs/dbraw/zinc/62/12/39/402621239.db2.gz FBAIULXCXUBTDO-IUODEOHRSA-N 1 0 316.405 2.099 10 0 DEAERO Cc1c(F)cccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249152706 402622336 /nfs/dbraw/zinc/62/23/36/402622336.db2.gz HQKXYUISLIYBRX-WCQYABFASA-N 1 0 321.396 2.014 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)c1 ZINC000249153362 402622569 /nfs/dbraw/zinc/62/25/69/402622569.db2.gz HSYKRWWVGPVSNM-STQMWFEESA-N 1 0 321.396 2.014 10 0 DEAERO C[C@H](CNC(=O)Nc1nncs1)[N@H+](C)Cc1ccccc1 ZINC000171810083 402624834 /nfs/dbraw/zinc/62/48/34/402624834.db2.gz GIKXOLSBPZSRNI-LLVKDONJSA-N 1 0 305.407 2.180 10 0 DEAERO OC[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1c1ccsc1 ZINC000249292028 402625019 /nfs/dbraw/zinc/62/50/19/402625019.db2.gz MLBHCSRYNGZJRI-TUAOUCFPSA-N 1 0 309.353 2.069 10 0 DEAERO C[NH+](C)C1CCN(C(=O)Nc2cnc(C(C)(C)C)nc2)CC1 ZINC000171315505 402577720 /nfs/dbraw/zinc/57/77/20/402577720.db2.gz BFAWHAWKBPRJBV-UHFFFAOYSA-N 1 0 305.426 2.332 10 0 DEAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000249440287 402629551 /nfs/dbraw/zinc/62/95/51/402629551.db2.gz LYVCNYZMNLMPPX-GDBMZVCRSA-N 1 0 304.434 2.303 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)OCc2cccc(OC)c2)C1 ZINC000249611360 402636919 /nfs/dbraw/zinc/63/69/19/402636919.db2.gz LHJOURDINSRPDE-HOCLYGCPSA-N 1 0 320.433 2.201 10 0 DEAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCCOC2)c1 ZINC000172029656 402637604 /nfs/dbraw/zinc/63/76/04/402637604.db2.gz LKHGJPJCYAQJOV-KRWDZBQOSA-N 1 0 319.449 2.247 10 0 DEAERO C[C@@H](C(=O)NC[C@H]1CCCO1)N1CC2(CCCC2)OC(C)(C)C1 ZINC000190971299 402633864 /nfs/dbraw/zinc/63/38/64/402633864.db2.gz RSHASFPSUQDFBP-LSDHHAIUSA-N 1 0 324.465 2.094 10 0 DEAERO Cc1cccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1F ZINC000181323424 402641565 /nfs/dbraw/zinc/64/15/65/402641565.db2.gz DTICTDYMHSXTEH-OLZOCXBDSA-N 1 0 314.426 2.237 10 0 DEAERO CC[NH+](CC)C[C@H]1CCN(Cc2nnc(C3CCC3)n2C)C1 ZINC000181402267 402644242 /nfs/dbraw/zinc/64/42/42/402644242.db2.gz OTLIKTWGGCJUBM-CQSZACIVSA-N 1 0 305.470 2.246 10 0 DEAERO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000252643226 402659498 /nfs/dbraw/zinc/65/94/98/402659498.db2.gz JNVRRYVTVVYKAP-VVLHAWIVSA-N 1 0 306.450 2.278 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[C@@H]1CCCCO1 ZINC000181486634 402646802 /nfs/dbraw/zinc/64/68/02/402646802.db2.gz JCRCBXXDVOTTIP-CVEARBPZSA-N 1 0 311.470 2.365 10 0 DEAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCc3ccccc3C2)CC[C@@H]1C ZINC000251525373 402648357 /nfs/dbraw/zinc/64/83/57/402648357.db2.gz CXPRUWLDSXWYMT-HDMKZQKVSA-N 1 0 316.445 2.317 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccnn1C(C)(C)C ZINC000251676650 402648865 /nfs/dbraw/zinc/64/88/65/402648865.db2.gz MQUCPSDVXGKNJH-OLZOCXBDSA-N 1 0 305.426 2.339 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](CCO)C2CCCCC2)C1 ZINC000252653260 402659943 /nfs/dbraw/zinc/65/99/43/402659943.db2.gz RMSFBNJZWHOOLP-JKSUJKDBSA-N 1 0 311.470 2.101 10 0 DEAERO CO[C@@H]1C[N@H+](CC(=O)N2c3ccccc3C[C@H]2C)CC[C@H]1C ZINC000251842938 402650217 /nfs/dbraw/zinc/65/02/17/402650217.db2.gz MVSPUNRDSFWHSQ-CKEIUWERSA-N 1 0 302.418 2.321 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NC[C@H](O)CC(C)(C)C)CC1 ZINC000172333000 402650646 /nfs/dbraw/zinc/65/06/46/402650646.db2.gz KCKZIFPIOUUUSH-OAHLLOKOSA-N 1 0 313.486 2.205 10 0 DEAERO CC[C@@H]1CN(C(=O)N[C@@H](C)C2CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000181763236 402656673 /nfs/dbraw/zinc/65/66/73/402656673.db2.gz VRYMQOWTOJBPRV-IJEWVQPXSA-N 1 0 311.470 2.052 10 0 DEAERO O[C@H](CC1CCCC1)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000191281230 402657135 /nfs/dbraw/zinc/65/71/35/402657135.db2.gz IATAZCRMGAABHW-GOSISDBHSA-N 1 0 303.450 2.140 10 0 DEAERO COC(=O)[C@H]1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000173626559 402705265 /nfs/dbraw/zinc/70/52/65/402705265.db2.gz HZZLPVHIPZHISR-ZDUSSCGKSA-N 1 0 317.364 2.396 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182656404 402705965 /nfs/dbraw/zinc/70/59/65/402705965.db2.gz XEIPDKVYWQLYBU-UKRRQHHQSA-N 1 0 307.442 2.377 10 0 DEAERO C[C@@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)[N@H+](C)C1CC1 ZINC000182701841 402710122 /nfs/dbraw/zinc/71/01/22/402710122.db2.gz ZFHQGEMRDGXMDI-WFASDCNBSA-N 1 0 305.426 2.129 10 0 DEAERO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)CSC)cc2)CC1 ZINC000173830295 402714645 /nfs/dbraw/zinc/71/46/45/402714645.db2.gz XVSSYLSRJMABQX-CQSZACIVSA-N 1 0 321.490 2.310 10 0 DEAERO Cc1ccc(C)c(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000173884342 402717111 /nfs/dbraw/zinc/71/71/11/402717111.db2.gz GHXZRRHBLGDMSA-GJZGRUSLSA-N 1 0 310.463 2.310 10 0 DEAERO Cc1ccc(CN(C)C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000261885626 402718506 /nfs/dbraw/zinc/71/85/06/402718506.db2.gz NCMAADOLZHEIQV-JTDSTZFVSA-N 1 0 316.445 2.486 10 0 DEAERO CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261884018 402718699 /nfs/dbraw/zinc/71/86/99/402718699.db2.gz FROMTNRFCABANZ-APHBMKBZSA-N 1 0 307.438 2.046 10 0 DEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000252733961 402660763 /nfs/dbraw/zinc/66/07/63/402660763.db2.gz XPVSIBIWWVCYEY-BFYDXBDKSA-N 1 0 319.449 2.374 10 0 DEAERO Cc1ncsc1CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000172536658 402661794 /nfs/dbraw/zinc/66/17/94/402661794.db2.gz SSDYGFARMISXKF-INIZCTEOSA-N 1 0 322.522 2.096 10 0 DEAERO COCCCOc1cccc(C[NH2+]CC2(C)OCCCO2)c1 ZINC000192248844 402719070 /nfs/dbraw/zinc/71/90/70/402719070.db2.gz DAGXRCXYGYUKDU-UHFFFAOYSA-N 1 0 309.406 2.345 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1O ZINC000182156319 402668898 /nfs/dbraw/zinc/66/88/98/402668898.db2.gz GOPPYZCOAXGIRF-CQSZACIVSA-N 1 0 314.385 2.001 10 0 DEAERO C[C@H](CC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000172745176 402673133 /nfs/dbraw/zinc/67/31/33/402673133.db2.gz JLUUQHHPOMWXQM-WBVHZDCISA-N 1 0 302.418 2.113 10 0 DEAERO CN1CCC(CNC(=O)c2ccsc2)([NH+]2CCCCC2)CC1 ZINC000172750932 402673792 /nfs/dbraw/zinc/67/37/92/402673792.db2.gz VYVRZIPBOPCHMD-UHFFFAOYSA-N 1 0 321.490 2.428 10 0 DEAERO C[C@@H](C(=O)N1CCc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172805557 402676540 /nfs/dbraw/zinc/67/65/40/402676540.db2.gz ZUPILNVDMQVMPC-DOTOQJQBSA-N 1 0 313.445 2.134 10 0 DEAERO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172907705 402679520 /nfs/dbraw/zinc/67/95/20/402679520.db2.gz WFEUCGRNPOLRHD-UMVBOHGHSA-N 1 0 306.356 2.375 10 0 DEAERO Cc1nn(C(C)(C)C)cc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000182330349 402681805 /nfs/dbraw/zinc/68/18/05/402681805.db2.gz YAMUSTFYULMHLX-UHFFFAOYSA-N 1 0 304.438 2.257 10 0 DEAERO CCCC[C@H](COC)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182352523 402682741 /nfs/dbraw/zinc/68/27/41/402682741.db2.gz YFPDIUCHTSEGOU-CABCVRRESA-N 1 0 322.453 2.019 10 0 DEAERO c1cnn(C[C@H]2C[N@H+](CCCOCc3ccccc3)CCO2)c1 ZINC000182353159 402682830 /nfs/dbraw/zinc/68/28/30/402682830.db2.gz SQCTWUXONVWTEO-GOSISDBHSA-N 1 0 315.417 2.191 10 0 DEAERO C[C@@H]1C[C@@H](N(C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@@H+]1C ZINC000182396936 402686830 /nfs/dbraw/zinc/68/68/30/402686830.db2.gz XLXWPRMSTACNLM-OCCSQVGLSA-N 1 0 316.401 2.413 10 0 DEAERO CCn1cc([C@@H]2CN(Cc3ccccc3OC)CCO2)cn1 ZINC000191717175 402688105 /nfs/dbraw/zinc/68/81/05/402688105.db2.gz HZLOCZMXGZOVOX-KRWDZBQOSA-N 1 0 301.390 2.485 10 0 DEAERO CCn1cc([C@H]2CN(Cc3ccccc3OC)CCO2)cn1 ZINC000191717192 402688355 /nfs/dbraw/zinc/68/83/55/402688355.db2.gz HZLOCZMXGZOVOX-QGZVFWFLSA-N 1 0 301.390 2.485 10 0 DEAERO COc1ccccc1/C=C\C[N@H+](CCO)C1CCN(C)CC1 ZINC000255725546 402695446 /nfs/dbraw/zinc/69/54/46/402695446.db2.gz CKDXYRZZPDTLSE-ALCCZGGFSA-N 1 0 304.434 2.097 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](C)CC[C@H]2C)C1 ZINC000173488570 402699470 /nfs/dbraw/zinc/69/94/70/402699470.db2.gz ZJXBUJGKWIGREL-ARFHVFGLSA-N 1 0 311.470 2.173 10 0 DEAERO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000262492794 402725945 /nfs/dbraw/zinc/72/59/45/402725945.db2.gz ANRIWFGUVXFREC-BBWFWOEESA-N 1 0 302.418 2.412 10 0 DEAERO C[C@@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccncc1 ZINC000174116022 402727297 /nfs/dbraw/zinc/72/72/97/402727297.db2.gz SFOVONHVGPHTQP-HUUCEWRRSA-N 1 0 302.422 2.270 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C)n2)C1 ZINC000174149815 402729033 /nfs/dbraw/zinc/72/90/33/402729033.db2.gz LAOKPSCCVOHKNM-HNNXBMFYSA-N 1 0 304.438 2.263 10 0 DEAERO CC[NH+](CC)[C@H](C)CNCc1ccc2c(c1)sc(=O)n2C ZINC000192462959 402730694 /nfs/dbraw/zinc/73/06/94/402730694.db2.gz NTKJUIQRCIUABB-GFCCVEGCSA-N 1 0 307.463 2.420 10 0 DEAERO CN1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)c2ccccc21 ZINC000174189612 402731203 /nfs/dbraw/zinc/73/12/03/402731203.db2.gz VWEXMCCRQCYGBY-HNNXBMFYSA-N 1 0 301.434 2.068 10 0 DEAERO CC(C)c1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)nn1C ZINC000174229434 402732707 /nfs/dbraw/zinc/73/27/07/402732707.db2.gz NXVOMMOYLJEMMD-UHFFFAOYSA-N 1 0 318.465 2.492 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([S@](C)=O)cc1 ZINC000192529043 402734712 /nfs/dbraw/zinc/73/47/12/402734712.db2.gz JURXFXWJZWNMCR-ZSEKCTLFSA-N 1 0 308.447 2.028 10 0 DEAERO COc1cccc(F)c1[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000174355565 402737861 /nfs/dbraw/zinc/73/78/61/402737861.db2.gz DZUNFBSJBVBVJM-NEPJUHHUSA-N 1 0 309.385 2.289 10 0 DEAERO Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175121122 402780743 /nfs/dbraw/zinc/78/07/43/402780743.db2.gz KUVJZKGXSVNFJP-CZUORRHYSA-N 1 0 318.465 2.149 10 0 DEAERO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183119157 402740680 /nfs/dbraw/zinc/74/06/80/402740680.db2.gz RQERBJKFJVHETE-BBRMVZONSA-N 1 0 308.397 2.331 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183143721 402742785 /nfs/dbraw/zinc/74/27/85/402742785.db2.gz XNXLOJTVXLMKPQ-LSDHHAIUSA-N 1 0 303.406 2.309 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)c2cc(C)ccc2Cl)CC1 ZINC000183165081 402744086 /nfs/dbraw/zinc/74/40/86/402744086.db2.gz COQQFUHWGGDVKI-UHFFFAOYSA-N 1 0 302.827 2.021 10 0 DEAERO Cc1ccc(SCCc2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263245754 402749513 /nfs/dbraw/zinc/74/95/13/402749513.db2.gz PGHJUNJIZZFAKE-AWEZNQCLSA-N 1 0 318.446 2.289 10 0 DEAERO CC1CC[NH+](Cc2ccc(NC(=O)CC(=O)N(C)C)cc2)CC1 ZINC000174661530 402751254 /nfs/dbraw/zinc/75/12/54/402751254.db2.gz NUCXGGNUCHXDLO-UHFFFAOYSA-N 1 0 317.433 2.335 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2csc3ccccc23)n1 ZINC000263254415 402751365 /nfs/dbraw/zinc/75/13/65/402751365.db2.gz QJOTYNSTXBMQJZ-CYBMUJFWSA-N 1 0 314.414 2.451 10 0 DEAERO Cc1nc(CC(C)C)c(-c2nc([C@H]3C[NH2+]CCN3C)no2)s1 ZINC000263276813 402753138 /nfs/dbraw/zinc/75/31/38/402753138.db2.gz SYACWVIQZUELRI-GFCCVEGCSA-N 1 0 321.450 2.276 10 0 DEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2csc3c2CCCC3)n1 ZINC000263282426 402753625 /nfs/dbraw/zinc/75/36/25/402753625.db2.gz UMWGUSVPYACQIT-GFCCVEGCSA-N 1 0 304.419 2.253 10 0 DEAERO CCc1nc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000174796424 402758081 /nfs/dbraw/zinc/75/80/81/402758081.db2.gz IHKDLHQGEZWOKY-YPMHNXCESA-N 1 0 310.467 2.330 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)Nc1nc(COC)cs1 ZINC000174889246 402761344 /nfs/dbraw/zinc/76/13/44/402761344.db2.gz FZSCXVXMDRFSTO-UHFFFAOYSA-N 1 0 300.428 2.143 10 0 DEAERO CC(C)[C@@H](CNC(=O)NCCC1CCCC1)[NH+]1CCN(C)CC1 ZINC000193139667 402766733 /nfs/dbraw/zinc/76/67/33/402766733.db2.gz FRAKCVCYWPFWGV-QGZVFWFLSA-N 1 0 324.513 2.138 10 0 DEAERO CCc1nc(Cl)c(C)c(NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000175037705 402773498 /nfs/dbraw/zinc/77/34/98/402773498.db2.gz CCHUZXRPJHULEQ-LBPRGKRZSA-N 1 0 312.845 2.260 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C)c(C(=O)OC)c2)C1 ZINC000175037781 402773698 /nfs/dbraw/zinc/77/36/98/402773698.db2.gz ARRAREZGRSKSPL-CQSZACIVSA-N 1 0 319.405 2.387 10 0 DEAERO COc1cc(C[NH2+]CCCOC(F)F)cc2c1OCCO2 ZINC000193655892 402774806 /nfs/dbraw/zinc/77/48/06/402774806.db2.gz VTRQSUJEHYAJLY-UHFFFAOYSA-N 1 0 303.305 2.185 10 0 DEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCC(=O)NC1CCCC1 ZINC000193753959 402776264 /nfs/dbraw/zinc/77/62/64/402776264.db2.gz TXEFUCWUQRGZCC-BPUTZDHNSA-N 1 0 322.449 2.241 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3c(c2)N(C)CCO3)C1 ZINC000175094976 402778398 /nfs/dbraw/zinc/77/83/98/402778398.db2.gz FJZNFCIVLBPBFY-AWEZNQCLSA-N 1 0 318.421 2.121 10 0 DEAERO C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)Oc1cccc(F)c1 ZINC000183588649 402779368 /nfs/dbraw/zinc/77/93/68/402779368.db2.gz XZZVGMZUNGNOPK-GFCCVEGCSA-N 1 0 317.364 2.484 10 0 DEAERO CCc1cnc(CCNC(=O)c2c[nH+]ccc2N(C)C)s1 ZINC000183590700 402779521 /nfs/dbraw/zinc/77/95/21/402779521.db2.gz VLZIYTQVVDTAQQ-UHFFFAOYSA-N 1 0 304.419 2.139 10 0 DEAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCSC)C1 ZINC000173971605 402722295 /nfs/dbraw/zinc/72/22/95/402722295.db2.gz IODUATCNFBARST-NSHDSACASA-N 1 0 312.401 2.472 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(C)cc(F)c1 ZINC000175218006 402789521 /nfs/dbraw/zinc/78/95/21/402789521.db2.gz OOYDRPVTTXOIKA-LBPRGKRZSA-N 1 0 302.415 2.143 10 0 DEAERO CCCCc1nnc(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)s1 ZINC000194320765 402792087 /nfs/dbraw/zinc/79/20/87/402792087.db2.gz WXFSMTOPZZSFNY-LLVKDONJSA-N 1 0 311.455 2.487 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N[C@@H](C)c1cccs1 ZINC000175337374 402798400 /nfs/dbraw/zinc/79/84/00/402798400.db2.gz KALIUFOVRIZWSM-UONOGXRCSA-N 1 0 309.479 2.341 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000175365634 402800832 /nfs/dbraw/zinc/80/08/32/402800832.db2.gz BZSNJWFGPVOXJU-NWDGAFQWSA-N 1 0 307.360 2.455 10 0 DEAERO C[N@@H+]1CC[C@H](NC(=O)C2CCC(O)CC2)[C@@H]1c1ccccc1 ZINC000194526518 402801503 /nfs/dbraw/zinc/80/15/03/402801503.db2.gz NOZBTFZSKBFZNQ-GQGLESIBSA-N 1 0 302.418 2.099 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCc1ccc(F)cc1 ZINC000175387320 402801743 /nfs/dbraw/zinc/80/17/43/402801743.db2.gz WHCHDQQJQQVXDE-MRXNPFEDSA-N 1 0 307.413 2.494 10 0 DEAERO C[NH+](C)Cc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000194601936 402804998 /nfs/dbraw/zinc/80/49/98/402804998.db2.gz DMKVAYBVJBXACH-KRWDZBQOSA-N 1 0 301.434 2.059 10 0 DEAERO CCC1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000175919382 402842835 /nfs/dbraw/zinc/84/28/35/402842835.db2.gz FOHIUZGESZTGAI-CGZBRXJRSA-N 1 0 323.481 2.319 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3ccc(OC)cc23)C1 ZINC000194659488 402808726 /nfs/dbraw/zinc/80/87/26/402808726.db2.gz KKICPEGIGCMUQC-AWEZNQCLSA-N 1 0 315.417 2.320 10 0 DEAERO CC(=O)c1ccccc1OCCN1CCC[N@@H+](C2CC2)CC1 ZINC000195341472 402842982 /nfs/dbraw/zinc/84/29/82/402842982.db2.gz SGLWLKZNIQCOSB-UHFFFAOYSA-N 1 0 302.418 2.438 10 0 DEAERO O=C(CCCOc1ccc(F)cc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195338893 402843068 /nfs/dbraw/zinc/84/30/68/402843068.db2.gz GXGXTKHWUBXQOU-AWEZNQCLSA-N 1 0 324.371 2.430 10 0 DEAERO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000194697650 402811095 /nfs/dbraw/zinc/81/10/95/402811095.db2.gz KMIIDEKFLMZYCE-GFCCVEGCSA-N 1 0 316.323 2.338 10 0 DEAERO CCCc1c(C(=O)NC[C@@H]2CCC[N@@H+]2C)[nH]c(C)c1C(C)=O ZINC000194693353 402811208 /nfs/dbraw/zinc/81/12/08/402811208.db2.gz AZCRLDAGOIXAAD-ZDUSSCGKSA-N 1 0 305.422 2.302 10 0 DEAERO C[C@H](NC(=O)Cc1ccccc1)C1([NH+]2CCOCC2)CCCC1 ZINC000175927274 402843279 /nfs/dbraw/zinc/84/32/79/402843279.db2.gz OKZOJIICXUIVRX-INIZCTEOSA-N 1 0 316.445 2.379 10 0 DEAERO Oc1cc(F)cc(C[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000184136120 402820993 /nfs/dbraw/zinc/82/09/93/402820993.db2.gz UBLIMHYJMHAANR-UHFFFAOYSA-N 1 0 302.353 2.080 10 0 DEAERO CCc1noc2ncc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc12 ZINC000194920184 402822883 /nfs/dbraw/zinc/82/28/83/402822883.db2.gz RSYQQRNXFWMNDO-ZDUSSCGKSA-N 1 0 318.421 2.491 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCc2nc(C)cs2)CC1 ZINC000194939077 402823570 /nfs/dbraw/zinc/82/35/70/402823570.db2.gz KTNRSBXXAMNKAQ-UHFFFAOYSA-N 1 0 310.467 2.373 10 0 DEAERO CCc1oc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1C ZINC000184225456 402828130 /nfs/dbraw/zinc/82/81/30/402828130.db2.gz XWHBOHOAHYJLDQ-UHFFFAOYSA-N 1 0 321.465 2.296 10 0 DEAERO CCc1nnc(CN2CC[NH+](CC3CCCCC3)CC2)n1C ZINC000195114354 402832366 /nfs/dbraw/zinc/83/23/66/402832366.db2.gz KKJQYYXSVBTPIQ-UHFFFAOYSA-N 1 0 305.470 2.075 10 0 DEAERO Cc1cnc([C@H](C)CNC(=O)c2c[nH+]ccc2N(C)C)s1 ZINC000184445067 402844186 /nfs/dbraw/zinc/84/41/86/402844186.db2.gz VCAIQQZVPIIYLD-SNVBAGLBSA-N 1 0 304.419 2.446 10 0 DEAERO CCCCOC[C@@H](O)C[NH+]1CCC(Oc2ccc(C)cn2)CC1 ZINC000195210503 402837217 /nfs/dbraw/zinc/83/72/17/402837217.db2.gz NSMRLVHJNPIEKL-INIZCTEOSA-N 1 0 322.449 2.411 10 0 DEAERO COC[C@](C)(CCO)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000175853531 402838122 /nfs/dbraw/zinc/83/81/22/402838122.db2.gz LRDIZFXCIGVRPE-ZDUSSCGKSA-N 1 0 307.312 2.462 10 0 DEAERO CC[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Oc1ccccc1F ZINC000175956983 402844750 /nfs/dbraw/zinc/84/47/50/402844750.db2.gz AUTWEHLJCQEPFX-KBPBESRZSA-N 1 0 323.412 2.329 10 0 DEAERO Cc1cccc(F)c1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000184474828 402845876 /nfs/dbraw/zinc/84/58/76/402845876.db2.gz NUKOYVYVACKERK-ZDUSSCGKSA-N 1 0 309.385 2.102 10 0 DEAERO COC(=O)c1oc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1C ZINC000195507654 402848189 /nfs/dbraw/zinc/84/81/89/402848189.db2.gz HBDPEXAXPABPGU-UHFFFAOYSA-N 1 0 303.362 2.477 10 0 DEAERO CCOc1cccnc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000176021541 402848386 /nfs/dbraw/zinc/84/83/86/402848386.db2.gz GIHOZUNWFVMQRT-UHFFFAOYSA-N 1 0 303.406 2.181 10 0 DEAERO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)C1 ZINC000195515807 402848887 /nfs/dbraw/zinc/84/88/87/402848887.db2.gz LMTWNEASGQDDEO-HZPDHXFCSA-N 1 0 316.449 2.074 10 0 DEAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOCC(F)(F)F)C1 ZINC000195520295 402850208 /nfs/dbraw/zinc/85/02/08/402850208.db2.gz CWOABNOMCPGBCJ-LLVKDONJSA-N 1 0 306.332 2.056 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCc2c1cccc2O ZINC000266126996 402966871 /nfs/dbraw/zinc/96/68/71/402966871.db2.gz QGRRWUPHCZUXAW-WWGRRREGSA-N 1 0 315.417 2.258 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccncc1Br ZINC000268569977 403095456 /nfs/dbraw/zinc/09/54/56/403095456.db2.gz BMOXRVOENKZQCV-SNVBAGLBSA-N 1 0 312.211 2.010 10 0 DEAERO O[C@H](C[NH2+][C@H]1CCCC12CCOCC2)COc1ccccc1 ZINC000282032490 403115355 /nfs/dbraw/zinc/11/53/55/403115355.db2.gz LACSNRHKBSBDOV-WBVHZDCISA-N 1 0 305.418 2.365 10 0 DEAERO O[C@]1(c2cn[nH]n2)CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000285542719 403322156 /nfs/dbraw/zinc/32/21/56/403322156.db2.gz PZUINBLEUOQLSU-CYBMUJFWSA-N 1 0 313.188 2.205 10 0 DEAERO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3coc(Br)c3)C2)C1 ZINC000292261612 403337270 /nfs/dbraw/zinc/33/72/70/403337270.db2.gz POPCDDBSKMGQQV-CYBMUJFWSA-N 1 0 313.195 2.210 10 0 DEAERO Cn1cc([C@H](CNc2ccc(Br)cn2)[NH+](C)C)cn1 ZINC000301347799 403618498 /nfs/dbraw/zinc/61/84/98/403618498.db2.gz HQSQYJGQHKPSAP-LBPRGKRZSA-N 1 0 324.226 2.292 10 0 DEAERO [NH3+]CCc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000301354844 403619590 /nfs/dbraw/zinc/61/95/90/403619590.db2.gz UMXFZDFUAMNQFQ-UHFFFAOYSA-N 1 0 323.440 2.146 10 0 DEAERO COc1ccc(C)nc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333111981 403668103 /nfs/dbraw/zinc/66/81/03/403668103.db2.gz GPJBEKPGBAWJNA-UHFFFAOYSA-N 1 0 318.421 2.396 10 0 DEAERO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000333116542 403668811 /nfs/dbraw/zinc/66/88/11/403668811.db2.gz YVKHXOOUHCCTNR-KBPBESRZSA-N 1 0 319.453 2.164 10 0 DEAERO CC(=O)N[C@H](C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)C1CCCC1 ZINC000341062676 403756311 /nfs/dbraw/zinc/75/63/11/403756311.db2.gz CLBINWFCUSZENL-ZQIUZPCESA-N 1 0 323.481 2.060 10 0 DEAERO CC(C)c1nnc(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000333472346 403759803 /nfs/dbraw/zinc/75/98/03/403759803.db2.gz AXPQEYFMZXUDRD-OLZOCXBDSA-N 1 0 310.467 2.384 10 0 DEAERO CC(C)(CNC(=O)N1CCC2(CC[NH2+]C2)CC1)c1ccccn1 ZINC000333657764 403806179 /nfs/dbraw/zinc/80/61/79/403806179.db2.gz WQSCFGWXQKVYPT-UHFFFAOYSA-N 1 0 316.449 2.144 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)C12CCOCC2 ZINC000248907170 286387736 /nfs/dbraw/zinc/38/77/36/286387736.db2.gz BIJVSNCSWDEEHT-QTCYRWPVSA-N 1 0 317.495 2.097 10 0 DEAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CS(=O)(=O)c4ccccc43)C[C@H]2C1 ZINC000333543876 403777324 /nfs/dbraw/zinc/77/73/24/403777324.db2.gz IHDSSHZGFQNKAG-QKDZRIPBSA-N 1 0 321.442 2.308 10 0 DEAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CS(=O)(=O)c4ccccc43)C[C@H]2C1 ZINC000333543880 403777396 /nfs/dbraw/zinc/77/73/96/403777396.db2.gz IHDSSHZGFQNKAG-YMSVYLFOSA-N 1 0 321.442 2.308 10 0 DEAERO CC(=O)[C@@](C)(O)C[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000347748719 403842874 /nfs/dbraw/zinc/84/28/74/403842874.db2.gz MLLLVOATPGXZRV-SFHVURJKSA-N 1 0 305.418 2.487 10 0 DEAERO O=C(c1ncoc1-c1ccc(F)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000333790420 403861826 /nfs/dbraw/zinc/86/18/26/403861826.db2.gz GEBUZGNLYDYJHX-UHFFFAOYSA-N 1 0 315.348 2.449 10 0 DEAERO Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nnnn3CC1)CCCO2 ZINC000333800550 403866175 /nfs/dbraw/zinc/86/61/75/403866175.db2.gz YBHRDGQCZNQWFH-JSGCOSHPSA-N 1 0 317.368 2.021 10 0 DEAERO Cc1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)nn1-c1ccccc1 ZINC000333811604 403870176 /nfs/dbraw/zinc/87/01/76/403870176.db2.gz JKWBPXOSTNGWTL-UHFFFAOYSA-N 1 0 310.401 2.149 10 0 DEAERO Cc1cnc(C2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)s1 ZINC000333820142 403872702 /nfs/dbraw/zinc/87/27/02/403872702.db2.gz KTEGTECXVBMEMJ-AWEZNQCLSA-N 1 0 322.478 2.483 10 0 DEAERO C[C@H](NC(=O)N[C@@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000333821232 403874262 /nfs/dbraw/zinc/87/42/62/403874262.db2.gz RETYRSFFKWDPJO-IAOVAPTHSA-N 1 0 301.434 2.231 10 0 DEAERO Cc1c(C(=O)N2CCC3(CC[NH2+]3)CC2)cnn1-c1ccccc1C ZINC000333867308 403892035 /nfs/dbraw/zinc/89/20/35/403892035.db2.gz TZSHFDGVHCVOQQ-UHFFFAOYSA-N 1 0 324.428 2.457 10 0 DEAERO CC(=O)N(c1nc(C[NH2+]CC[C@@H]2CCOC2)cs1)C1CC1 ZINC000344260702 404015977 /nfs/dbraw/zinc/01/59/77/404015977.db2.gz FUTCNCGJSMCOFM-GFCCVEGCSA-N 1 0 309.435 2.175 10 0 DEAERO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000329045870 404211766 /nfs/dbraw/zinc/21/17/66/404211766.db2.gz UWBOQNILSZDTFO-KDQZPGIASA-N 1 0 316.449 2.393 10 0 DEAERO Cc1nccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)n1 ZINC000370029770 404310721 /nfs/dbraw/zinc/31/07/21/404310721.db2.gz IKKWXZOIWBAPML-AWEZNQCLSA-N 1 0 311.389 2.031 10 0 DEAERO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2nnnn2C2CC2)C1 ZINC000329625897 404398364 /nfs/dbraw/zinc/39/83/64/404398364.db2.gz OSSHKWBWNUOIAC-MIGQKNRLSA-N 1 0 319.453 2.160 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)nc(C)n1 ZINC000329664036 404414667 /nfs/dbraw/zinc/41/46/67/404414667.db2.gz JSQNGZOWMSTIDU-NVXWUHKLSA-N 1 0 310.401 2.269 10 0 DEAERO C[C@H]1CCCCN1C(=O)C[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000364500244 404422632 /nfs/dbraw/zinc/42/26/32/404422632.db2.gz BMUNGXJTLSMHNT-AWEZNQCLSA-N 1 0 304.438 2.001 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000364550879 404444391 /nfs/dbraw/zinc/44/43/91/404444391.db2.gz IJIKYEYOBFLYFV-ZIAGYGMSSA-N 1 0 318.465 2.191 10 0 DEAERO c1ccc(C[N@@H+]2CC[C@@H](N3CCO[C@]4(CCCOC4)C3)C2)cc1 ZINC000297285864 404536761 /nfs/dbraw/zinc/53/67/61/404536761.db2.gz ACTSGTHRVZVUGL-RTBURBONSA-N 1 0 316.445 2.142 10 0 DEAERO Cc1nccc(N2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)n1 ZINC000373411510 404541991 /nfs/dbraw/zinc/54/19/91/404541991.db2.gz FROOOXPVLLHWRF-MRXNPFEDSA-N 1 0 324.428 2.473 10 0 DEAERO Brc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)o1 ZINC000365154439 404563507 /nfs/dbraw/zinc/56/35/07/404563507.db2.gz GLXUEYHRFAYHPD-MFKMUULPSA-N 1 0 316.195 2.470 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2ccsc2)CC(=O)N1C ZINC000330293341 404616522 /nfs/dbraw/zinc/61/65/22/404616522.db2.gz HSHZFPBVQBWGFF-CZUORRHYSA-N 1 0 318.446 2.160 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cn(C)nc2C2CC2)CC[N@@H+]1C ZINC000292018773 404629242 /nfs/dbraw/zinc/62/92/42/404629242.db2.gz JMJRKMYSSBWNSP-DGCLKSJQSA-N 1 0 305.426 2.244 10 0 DEAERO Cc1nccc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1 ZINC000374034367 404673991 /nfs/dbraw/zinc/67/39/91/404673991.db2.gz HDPIFWWHCTVEKW-HNNXBMFYSA-N 1 0 310.401 2.270 10 0 DEAERO OCC[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000366444584 404792065 /nfs/dbraw/zinc/79/20/65/404792065.db2.gz RVLITGUENMARMJ-QAPCUYQASA-N 1 0 317.360 2.159 10 0 DEAERO c1cc(-c2ccc(C[NH2+]C[C@H]3COC4(CCCC4)O3)o2)n[nH]1 ZINC000366836484 404855620 /nfs/dbraw/zinc/85/56/20/404855620.db2.gz NFXASKNXEYYGIX-ZDUSSCGKSA-N 1 0 303.362 2.445 10 0 DEAERO NC(=O)CCC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435131753 404957531 /nfs/dbraw/zinc/95/75/31/404957531.db2.gz FLZIDHIRCNUCFD-UHFFFAOYSA-N 1 0 302.378 2.147 10 0 DEAERO CNC(=O)CC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435133001 404957935 /nfs/dbraw/zinc/95/79/35/404957935.db2.gz NWIKAAAHTBFMJO-UHFFFAOYSA-N 1 0 302.378 2.018 10 0 DEAERO CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000423986003 404960093 /nfs/dbraw/zinc/96/00/93/404960093.db2.gz RWTQMJINAOJVFZ-RVZJWNSFSA-N 1 0 318.417 2.100 10 0 DEAERO CC(=O)c1cccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1 ZINC000451304285 404948383 /nfs/dbraw/zinc/94/83/83/404948383.db2.gz ODWNJHKNECWAIX-KURKYZTESA-N 1 0 303.402 2.251 10 0 DEAERO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000435034429 404951368 /nfs/dbraw/zinc/95/13/68/404951368.db2.gz NEXNOEWKGWVNPT-SCLBCKFNSA-N 1 0 321.417 2.271 10 0 DEAERO C[C@@H]1CCOCCN1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000378496472 404982810 /nfs/dbraw/zinc/98/28/10/404982810.db2.gz KATPIPGZXMTNAP-ZBFHGGJFSA-N 1 0 305.422 2.110 10 0 DEAERO C[C@@H]1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)[C@H]1CO ZINC000408047908 405098655 /nfs/dbraw/zinc/09/86/55/405098655.db2.gz UAMSUQJKHNVEDH-PEQKASONSA-N 1 0 320.477 2.164 10 0 DEAERO COC(=O)C(C)(C)N1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361394038 405053938 /nfs/dbraw/zinc/05/39/38/405053938.db2.gz CRYIGOSETWFWLJ-DLBZAZTESA-N 1 0 316.445 2.359 10 0 DEAERO COC(=O)c1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)o1 ZINC000367477841 405063543 /nfs/dbraw/zinc/06/35/43/405063543.db2.gz UVONNYRPOXXCIC-NSHDSACASA-N 1 0 317.345 2.316 10 0 DEAERO Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCCCC2)c(F)c1 ZINC000405034288 405070917 /nfs/dbraw/zinc/07/09/17/405070917.db2.gz SRVFMUGFYPZTSV-UHFFFAOYSA-N 1 0 300.399 2.074 10 0 DEAERO C[C@@]1(NC(=O)c2ncccc2N)CC[N@H+](Cc2ccccc2)C1 ZINC000405980871 405072899 /nfs/dbraw/zinc/07/28/99/405072899.db2.gz DLRVAPPCNDNWSK-GOSISDBHSA-N 1 0 310.401 2.058 10 0 DEAERO Cn1nnc2cc(C[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)ccc21 ZINC000408073309 405105718 /nfs/dbraw/zinc/10/57/18/405105718.db2.gz PZHKLUHRJLMVHY-YOEHRIQHSA-N 1 0 300.406 2.095 10 0 DEAERO CC(=O)Nc1ccc(F)c(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000408149362 405125363 /nfs/dbraw/zinc/12/53/63/405125363.db2.gz QABXEFWVPYOWAQ-GHMZBOCLSA-N 1 0 322.384 2.340 10 0 DEAERO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000452036584 405134807 /nfs/dbraw/zinc/13/48/07/405134807.db2.gz RDDJUXIXSGYLQQ-ZIAGYGMSSA-N 1 0 320.389 2.291 10 0 DEAERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)CC(C)(C)O)C1)CCCC2 ZINC000408289507 405163134 /nfs/dbraw/zinc/16/31/34/405163134.db2.gz GPJLSAGFRPBPLT-CYBMUJFWSA-N 1 0 305.422 2.005 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2ccc3c(c2O)CCCC3)CC[N@@H+]1C ZINC000408414989 405202389 /nfs/dbraw/zinc/20/23/89/405202389.db2.gz MTBHLELBONOMSI-GXTWGEPZSA-N 1 0 302.418 2.484 10 0 DEAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000408470831 405214918 /nfs/dbraw/zinc/21/49/18/405214918.db2.gz RFWUFJLTVVRTBH-ZDUSSCGKSA-N 1 0 318.417 2.272 10 0 DEAERO C[C@H](CCc1ccccc1F)C(=O)NCCNc1cc[nH+]cc1 ZINC000439036901 405263104 /nfs/dbraw/zinc/26/31/04/405263104.db2.gz CJNGMGAYMAHRFF-CQSZACIVSA-N 1 0 315.392 2.440 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)c1ccc(OC2CCC2)cc1 ZINC000439039422 405263784 /nfs/dbraw/zinc/26/37/84/405263784.db2.gz LWDPLVPKXFMLGA-UHFFFAOYSA-N 1 0 311.385 2.277 10 0 DEAERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(Br)c3)C[C@@H]21 ZINC000453033606 405277392 /nfs/dbraw/zinc/27/73/92/405277392.db2.gz KHUMGKRNTORMRQ-SCZZXKLOSA-N 1 0 315.236 2.287 10 0 DEAERO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)C[C@@H]21 ZINC000453036295 405277414 /nfs/dbraw/zinc/27/74/14/405277414.db2.gz NVZBGRJYHRCQSV-TYRIBLQHSA-N 1 0 306.356 2.231 10 0 DEAERO CC(=O)N1CCC[N@H+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425391877 405284539 /nfs/dbraw/zinc/28/45/39/405284539.db2.gz YUEPXTDYUVQFNH-UHFFFAOYSA-N 1 0 310.401 2.198 10 0 DEAERO CC[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CC1(C)C ZINC000419316673 405237646 /nfs/dbraw/zinc/23/76/46/405237646.db2.gz LPGLRUKQURLLQU-IHRRRGAJSA-N 1 0 302.484 2.072 10 0 DEAERO O=C(C/C=C\c1ccc(F)cc1)NCC[N@@H+]1CCCOCC1 ZINC000438677579 405253160 /nfs/dbraw/zinc/25/31/60/405253160.db2.gz HAPUVSOXFLWNJC-IWQZZHSRSA-N 1 0 306.381 2.068 10 0 DEAERO Cc1ccc(/C=C\CC(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000438678913 405253537 /nfs/dbraw/zinc/25/35/37/405253537.db2.gz UUDJKJSWTWRRHD-RQOWECAXSA-N 1 0 302.418 2.237 10 0 DEAERO C[C@@H](CCC[NH3+])Nc1ccc(I)cn1 ZINC000420258020 405302032 /nfs/dbraw/zinc/30/20/32/405302032.db2.gz JMBLEJFUROPYLE-QMMMGPOBSA-N 1 0 305.163 2.226 10 0 DEAERO c1cc(CN2CCOCC2)cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000420920464 405405491 /nfs/dbraw/zinc/40/54/91/405405491.db2.gz JSUKFCIJGNORGY-LJQANCHMSA-N 1 0 316.445 2.130 10 0 DEAERO CCn1cncc1C[N@@H+]1CC[C@@](O)(Cc2ccc(F)cc2)C1 ZINC000421365300 405476770 /nfs/dbraw/zinc/47/67/70/405476770.db2.gz BFTYEVNMUGWPFS-QGZVFWFLSA-N 1 0 303.381 2.222 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(F)cc(Br)c1 ZINC000638570402 405551051 /nfs/dbraw/zinc/55/10/51/405551051.db2.gz SCWSMGGBVSDFNO-NWDGAFQWSA-N 1 0 315.186 2.459 10 0 DEAERO CCc1noc(C)c1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458819519 405610305 /nfs/dbraw/zinc/61/03/05/405610305.db2.gz QBRQTNXDHRSGLO-UHFFFAOYSA-N 1 0 308.426 2.219 10 0 DEAERO Cc1cc(CCNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)on1 ZINC000557777806 405627749 /nfs/dbraw/zinc/62/77/49/405627749.db2.gz UWZPVRKAUTYTFJ-KBPBESRZSA-N 1 0 308.426 2.088 10 0 DEAERO [NH3+]CC1(NC(=O)CSc2ccc(Cl)cc2)CCOCC1 ZINC000638636132 405585264 /nfs/dbraw/zinc/58/52/64/405585264.db2.gz PBPUFGMESHNYBR-UHFFFAOYSA-N 1 0 314.838 2.056 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)c2sccc2Br)C[NH2+]1 ZINC000638651888 405595924 /nfs/dbraw/zinc/59/59/24/405595924.db2.gz HSALQGJOQKIASN-SFYZADRCSA-N 1 0 303.225 2.381 10 0 DEAERO Brc1ccc2c(c1)[C@@H](NCC1C[NH2+]C1)CCCO2 ZINC000423302147 405752012 /nfs/dbraw/zinc/75/20/12/405752012.db2.gz IYYKEIKLYAGWQQ-ZDUSSCGKSA-N 1 0 311.223 2.472 10 0 DEAERO CC(C)n1cc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cn1 ZINC000583618799 405776048 /nfs/dbraw/zinc/77/60/48/405776048.db2.gz NRHGXMNLSYMAAH-BRWVUGGUSA-N 1 0 307.438 2.216 10 0 DEAERO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)co1 ZINC000583619607 405776888 /nfs/dbraw/zinc/77/68/88/405776888.db2.gz GINYEXCGDWYKBU-XJKSGUPXSA-N 1 0 316.405 2.134 10 0 DEAERO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000638992454 405805161 /nfs/dbraw/zinc/80/51/61/405805161.db2.gz DUZHTVMCHIGYRG-BDAKNGLRSA-N 1 0 300.271 2.032 10 0 DEAERO [NH3+]CC1(NC(=O)c2ncccc2Br)CCCCC1 ZINC000638996893 405809561 /nfs/dbraw/zinc/80/95/61/405809561.db2.gz PIILIZOHGQYMFO-UHFFFAOYSA-N 1 0 312.211 2.236 10 0 DEAERO C[N@@H+](Cc1cccc(Br)c1)C[C@H]1COCCO1 ZINC000450280999 405814530 /nfs/dbraw/zinc/81/45/30/405814530.db2.gz AFKVYDGVVUZXDE-ZDUSSCGKSA-N 1 0 300.196 2.296 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000457639966 405930974 /nfs/dbraw/zinc/93/09/74/405930974.db2.gz YXWZMOXIGSNNKF-DOMZBBRYSA-N 1 0 316.401 2.137 10 0 DEAERO COC(=O)c1cc(C)cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000457686526 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CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000532125041 406048076 /nfs/dbraw/zinc/04/80/76/406048076.db2.gz SSRXGWJMZHANGS-CQSZACIVSA-N 1 0 310.438 2.053 10 0 DEAERO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCCN2CCCC2=O)C1 ZINC000532125038 406048164 /nfs/dbraw/zinc/04/81/64/406048164.db2.gz RZZSBXXAQMOWCG-HNNXBMFYSA-N 1 0 324.465 2.443 10 0 DEAERO c1c(C[N@@H+]2CCC[C@@H](C3CCC3)C2)nnn1C[C@@H]1CCOC1 ZINC000639328341 406048504 /nfs/dbraw/zinc/04/85/04/406048504.db2.gz HFSGAWCYQXTHMI-GOEBONIOSA-N 1 0 304.438 2.327 10 0 DEAERO Cc1nn(C)cc1CC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000460021352 406073968 /nfs/dbraw/zinc/07/39/68/406073968.db2.gz JRQBYTBXGZKGND-QGZVFWFLSA-N 1 0 324.428 2.282 10 0 DEAERO C[C@@H]1C[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471668755 406106914 /nfs/dbraw/zinc/10/69/14/406106914.db2.gz LYJQIACMXRWRLK-PVAVHDDUSA-N 1 0 301.434 2.464 10 0 DEAERO c1nc2n(n1)[C@H](C[NH+]1CCC3(CC1)OCc1ccccc13)CC2 ZINC000639517364 406125038 /nfs/dbraw/zinc/12/50/38/406125038.db2.gz IFXKLMAVOAFMDZ-HNNXBMFYSA-N 1 0 310.401 2.287 10 0 DEAERO C(c1noc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1)C1CC1 ZINC000639543745 406138658 /nfs/dbraw/zinc/13/86/58/406138658.db2.gz OUOFUCJGWRDUKS-HOCLYGCPSA-N 1 0 316.449 2.471 10 0 DEAERO C[C@@]1(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1(F)F ZINC000634650006 406207416 /nfs/dbraw/zinc/20/74/16/406207416.db2.gz ZBMUOWLEHVPJFT-HOTGVXAUSA-N 1 0 310.388 2.258 10 0 DEAERO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1c(Br)cnn1C ZINC000487302735 406222541 /nfs/dbraw/zinc/22/25/41/406222541.db2.gz RFJQCTQAPDGNFK-ZJUUUORDSA-N 1 0 304.232 2.069 10 0 DEAERO c1ccc(C[N@@H+]2CC[C@@H](N3CCO[C@@]4(CCSC4)C3)C2)cc1 ZINC000569238713 406226287 /nfs/dbraw/zinc/22/62/87/406226287.db2.gz PUMWHBWYWBGTOE-MSOLQXFVSA-N 1 0 318.486 2.469 10 0 DEAERO Cn1ncc(Br)c1C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000487563530 406246487 /nfs/dbraw/zinc/24/64/87/406246487.db2.gz WMEVZTRUEARQOX-OLZOCXBDSA-N 1 0 314.227 2.230 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)C(F)(F)F 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Brc1cccc2c1CN(CC13CC(C1)C[NH2+]3)CCO2 ZINC000634996673 406389955 /nfs/dbraw/zinc/38/99/55/406389955.db2.gz QJWPEPOWXSBWLK-UHFFFAOYSA-N 1 0 323.234 2.396 10 0 DEAERO CCCCNC(=O)CC[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000489469947 406410120 /nfs/dbraw/zinc/41/01/20/406410120.db2.gz FDXLJWSBTINXTP-UHFFFAOYSA-N 1 0 304.434 2.402 10 0 DEAERO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489600645 406420994 /nfs/dbraw/zinc/42/09/94/406420994.db2.gz FKXBLJRSDATAGV-GFCCVEGCSA-N 1 0 316.405 2.000 10 0 DEAERO c1ccc(N2CC[C@@H](C[NH+]3CCN(c4cnccn4)CC3)C2)cc1 ZINC000637920238 406478126 /nfs/dbraw/zinc/47/81/26/406478126.db2.gz QZRDNVSQZGTPBU-KRWDZBQOSA-N 1 0 323.444 2.125 10 0 DEAERO CC(C)N(CC1CC1)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637936736 406485985 /nfs/dbraw/zinc/48/59/85/406485985.db2.gz ZIFDRCFDGWYKLK-QGZVFWFLSA-N 1 0 303.450 2.093 10 0 DEAERO COc1ccc(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000637868713 406454693 /nfs/dbraw/zinc/45/46/93/406454693.db2.gz ITOWFDPXXUDKLE-QGZVFWFLSA-N 1 0 313.401 2.093 10 0 DEAERO CC(C)N(C)C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637874967 406458029 /nfs/dbraw/zinc/45/80/29/406458029.db2.gz RAJJJSSBBWLQKG-UHFFFAOYSA-N 1 0 303.450 2.237 10 0 DEAERO Cc1ccccc1CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000637887863 406463159 /nfs/dbraw/zinc/46/31/59/406463159.db2.gz ZRAUMCHFIDWHHX-SFHVURJKSA-N 1 0 311.429 2.071 10 0 DEAERO c1ccc(-n2nnc(CN3CC[NH+](C4CC4)CC3)c2C2CC2)cc1 ZINC000637895098 406466743 /nfs/dbraw/zinc/46/67/43/406466743.db2.gz ZRIGUBQBPIUIHQ-UHFFFAOYSA-N 1 0 323.444 2.425 10 0 DEAERO O=C(CCC1C[NH2+]C1)N1CCC(OCc2ccccc2)CC1 ZINC000637898218 406468220 /nfs/dbraw/zinc/46/82/20/406468220.db2.gz XQMPQMODVIQRHN-UHFFFAOYSA-N 1 0 302.418 2.194 10 0 DEAERO CC[NH+]1CCC(NC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)CC1 ZINC000526983157 406563774 /nfs/dbraw/zinc/56/37/74/406563774.db2.gz XDLXQJMZLJWKRD-CYBMUJFWSA-N 1 0 318.465 2.239 10 0 DEAERO CC(C)[C@H]1CCCCN1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638001147 406518255 /nfs/dbraw/zinc/51/82/55/406518255.db2.gz OXSKPSRMIGVPCT-QZTJIDSGSA-N 1 0 317.477 2.483 10 0 DEAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@@]1(C)CC1(F)F ZINC000638415015 406757867 /nfs/dbraw/zinc/75/78/67/406757867.db2.gz KJDIUMQRLQSWHX-NJZAAPMLSA-N 1 0 312.360 2.081 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)CC3CCCC3)[C@H]2C1 ZINC000554746204 406823593 /nfs/dbraw/zinc/82/35/93/406823593.db2.gz TWZLDKAYSAKJCJ-XSLAGTTESA-N 1 0 308.466 2.164 10 0 DEAERO CCc1ncc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000554936450 406829693 /nfs/dbraw/zinc/82/96/93/406829693.db2.gz QRODCIMKHDZVMR-SWLSCSKDSA-N 1 0 310.463 2.363 10 0 DEAERO O=C([C@@H]1C[NH2+]CCOC1)N(Cc1ccccc1)c1ccccc1 ZINC000643618478 407018114 /nfs/dbraw/zinc/01/81/14/407018114.db2.gz PTMAEKAUFJWPDL-QGZVFWFLSA-N 1 0 310.397 2.456 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643618094 407018133 /nfs/dbraw/zinc/01/81/33/407018133.db2.gz CAXHMLFIDDCROM-NSHDSACASA-N 1 0 317.216 2.188 10 0 DEAERO COC[C@]1(C(=O)N(C)Cc2ccc(Cl)s2)CCC[NH2+]1 ZINC000643620868 407018472 /nfs/dbraw/zinc/01/84/72/407018472.db2.gz QLBRXSQYNLIBFX-ZDUSSCGKSA-N 1 0 302.827 2.129 10 0 DEAERO COC[C@]1(C(=O)N[C@H](C)c2ccc(Cl)s2)CCC[NH2+]1 ZINC000643635657 407020252 /nfs/dbraw/zinc/02/02/52/407020252.db2.gz QBVWZYRKUCCTHL-RNCFNFMXSA-N 1 0 302.827 2.347 10 0 DEAERO COC[C@@]1(C(=O)N[C@H](C)c2ccc(Cl)s2)CCC[NH2+]1 ZINC000643635656 407020381 /nfs/dbraw/zinc/02/03/81/407020381.db2.gz QBVWZYRKUCCTHL-NOZJJQNGSA-N 1 0 302.827 2.347 10 0 DEAERO C[C@@H](CSc1nnc(COc2ccccc2)n1C)[NH+](C)C ZINC000358776299 286891235 /nfs/dbraw/zinc/89/12/35/286891235.db2.gz BTGLVKXVPGAKJP-LBPRGKRZSA-N 1 0 306.435 2.436 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccccc1-n1cccn1 ZINC000177200797 287015653 /nfs/dbraw/zinc/01/56/53/287015653.db2.gz KTKJDLXYVCOVHW-CYBMUJFWSA-N 1 0 300.406 2.438 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCC(=O)N(CC)CC ZINC000247055451 287226077 /nfs/dbraw/zinc/22/60/77/287226077.db2.gz WTFAGGYPHZLFAJ-CVEARBPZSA-N 1 0 323.481 2.110 10 0 DEAERO C[C@@H](CC[NH2+]C(C)(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129025395 196013059 /nfs/dbraw/zinc/01/30/59/196013059.db2.gz CRLWQICRFIOVAP-KBPBESRZSA-N 1 0 304.500 2.462 10 0 DEAERO CCC[NH2+]C[C@H](C)[C@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129075587 196017694 /nfs/dbraw/zinc/01/76/94/196017694.db2.gz KKBMLJWOZJMYRF-ILXRZTDVSA-N 1 0 304.500 2.320 10 0 DEAERO CC(C)[NH2+]C[C@H]1CC[C@H]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000129312303 196038303 /nfs/dbraw/zinc/03/83/03/196038303.db2.gz SUJFUPFRQYOYIJ-SOUVJXGZSA-N 1 0 302.484 2.072 10 0 DEAERO CCC[NH2+]C[C@H](O)COc1ccc(OC)cc1Br ZINC000129532312 196055680 /nfs/dbraw/zinc/05/56/80/196055680.db2.gz VQVSMLRDEHGAFI-JTQLQIEISA-N 1 0 318.211 2.197 10 0 DEAERO COc1ccc(Oc2cncc(C[NH3+])n2)c(Br)c1 ZINC000129624981 196063607 /nfs/dbraw/zinc/06/36/07/196063607.db2.gz QECXBLSLECRRCK-UHFFFAOYSA-N 1 0 310.151 2.499 10 0 DEAERO C[C@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000129624428 196063647 /nfs/dbraw/zinc/06/36/47/196063647.db2.gz DLZFRRRBYITZDB-JTQLQIEISA-N 1 0 315.870 2.263 10 0 DEAERO C[NH2+][C@@H]1COC[C@@H]1c1nc2cc(Br)cc(C)c2[nH]1 ZINC000129639753 196064028 /nfs/dbraw/zinc/06/40/28/196064028.db2.gz QCOUMSUEIPYQTH-GXSJLCMTSA-N 1 0 310.195 2.336 10 0 DEAERO COc1ccc2c(c1)C[C@](C[NH3+])(N1CCSC[C@@H]1C)CC2 ZINC000129637385 196064450 /nfs/dbraw/zinc/06/44/50/196064450.db2.gz OKEHFKQSNCBAEF-SUMWQHHRSA-N 1 0 306.475 2.319 10 0 DEAERO COc1cc([C@H]([NH3+])c2c(Cl)cnn2C)cc(OC)c1OC ZINC000129694515 196068204 /nfs/dbraw/zinc/06/82/04/196068204.db2.gz PTSGUWHNEQKXBL-LBPRGKRZSA-N 1 0 311.769 2.147 10 0 DEAERO CCC[C@@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1cccs1 ZINC000129708563 196069025 /nfs/dbraw/zinc/06/90/25/196069025.db2.gz SGAWYGMMOJZPLT-CYBMUJFWSA-N 1 0 309.479 2.389 10 0 DEAERO C[C@@H](CC(=O)N[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000129703445 196069189 /nfs/dbraw/zinc/06/91/89/196069189.db2.gz ZQGAFCDGFRZZJQ-GXFFZTMASA-N 1 0 311.223 2.421 10 0 DEAERO C[NH2+]C1(C)CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000129876415 196082211 /nfs/dbraw/zinc/08/22/11/196082211.db2.gz LAWPVNIRTWCXNY-UHFFFAOYSA-N 1 0 302.827 2.103 10 0 DEAERO N[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccs1 ZINC000130525077 196087620 /nfs/dbraw/zinc/08/76/20/196087620.db2.gz ZRJGRQLISHNGSD-OAHLLOKOSA-N 1 0 307.463 2.225 10 0 DEAERO O[C@@H](C[NH2+]CCCC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000130581392 196092745 /nfs/dbraw/zinc/09/27/45/196092745.db2.gz ATBNLLIPVJZFQC-NSHDSACASA-N 1 0 305.296 2.423 10 0 DEAERO CC(C)C[C@H](C)OC[C@H](O)C[NH2+]CC1(CO)CCCCC1 ZINC000130932300 196124312 /nfs/dbraw/zinc/12/43/12/196124312.db2.gz RFONRTUVBQXKAK-JKSUJKDBSA-N 1 0 301.471 2.331 10 0 DEAERO CCC[NH2+][C@@](C)(C[C@H](C)Sc1nc(CC)ns1)C(N)=O ZINC000131053418 196135760 /nfs/dbraw/zinc/13/57/60/196135760.db2.gz AOPORSWYZAEMNH-ZANVPECISA-N 1 0 316.496 2.215 10 0 DEAERO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(Br)cc1O ZINC000131100247 196139343 /nfs/dbraw/zinc/13/93/43/196139343.db2.gz ZMOKSSADNNNPLK-CYBMUJFWSA-N 1 0 315.211 2.258 10 0 DEAERO CC(C)[C@](C)(C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1F ZINC000131179435 196147681 /nfs/dbraw/zinc/14/76/81/196147681.db2.gz WOUAFAJHYKPZRY-LBPRGKRZSA-N 1 0 308.806 2.131 10 0 DEAERO C[NH2+]Cc1ccccc1S(=O)(=O)NCCCC(F)(F)F ZINC000131235867 196151889 /nfs/dbraw/zinc/15/18/89/196151889.db2.gz SLVXJLBZIOOWBB-UHFFFAOYSA-N 1 0 310.341 2.027 10 0 DEAERO CC(C)[C@@](C)(O)c1c(Br)cnn1CC[NH+](C)C ZINC000131405264 196165911 /nfs/dbraw/zinc/16/59/11/196165911.db2.gz BEMBNMAOKAFZLK-GFCCVEGCSA-N 1 0 304.232 2.071 10 0 DEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc(C)c2Br)C1 ZINC000131399831 196165415 /nfs/dbraw/zinc/16/54/15/196165415.db2.gz PISDLJWTGWKFTD-MWLCHTKSSA-N 1 0 313.195 2.073 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ncc(C(N)=O)cc1Cl ZINC000131437632 196168771 /nfs/dbraw/zinc/16/87/71/196168771.db2.gz QLCZQBABFBJGSP-GFCCVEGCSA-N 1 0 310.829 2.366 10 0 DEAERO [NH3+]CC1(CNS(=O)(=O)c2ccccc2F)CCCCC1 ZINC000131567039 196179966 /nfs/dbraw/zinc/17/99/66/196179966.db2.gz PJSVFWJCQBODGM-UHFFFAOYSA-N 1 0 300.399 2.013 10 0 DEAERO C[C@H](C[NH+](C)C)N1C(=O)C2(CCCC2)N[C@H]1c1ccsc1 ZINC000131648233 196187430 /nfs/dbraw/zinc/18/74/30/196187430.db2.gz PNPLKTGRLAMIMQ-TZMCWYRMSA-N 1 0 307.463 2.441 10 0 DEAERO C[C@@H](O)CCN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000131819614 196202194 /nfs/dbraw/zinc/20/21/94/196202194.db2.gz GIVFGZBDESZAMT-OAHLLOKOSA-N 1 0 319.449 2.195 10 0 DEAERO COC[C@H](C)[C@H](C[NH3+])N(C)Cc1ccc(Br)cc1 ZINC000131957507 196213446 /nfs/dbraw/zinc/21/34/46/196213446.db2.gz PGNNVULTHCOPIU-FZMZJTMJSA-N 1 0 315.255 2.491 10 0 DEAERO Cc1nc(-c2cncc(Br)c2)nc2c1CC[NH2+]C2 ZINC000132139615 196229409 /nfs/dbraw/zinc/22/94/09/196229409.db2.gz VGWGHDJRLYQZFA-UHFFFAOYSA-N 1 0 305.179 2.255 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc2cccnc2c1N ZINC000132146626 196230240 /nfs/dbraw/zinc/23/02/40/196230240.db2.gz HQDLRNDMWHNQKE-JTQLQIEISA-N 1 0 304.419 2.093 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000132266277 196240937 /nfs/dbraw/zinc/24/09/37/196240937.db2.gz UZUUXQQFGGGPMH-RITPCOANSA-N 1 0 308.250 2.191 10 0 DEAERO C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)[C@H]1CC[NH2+]C1 ZINC000132504221 196260989 /nfs/dbraw/zinc/26/09/89/196260989.db2.gz QGBLPAFTIHXJKK-WDSKDSINSA-N 1 0 308.250 2.110 10 0 DEAERO Cc1cccc2c(NC[C@H](O)C[NH+]3CCCCC3)ncnc12 ZINC000132617771 196270640 /nfs/dbraw/zinc/27/06/40/196270640.db2.gz JSHVJGUYODLBKI-AWEZNQCLSA-N 1 0 300.406 2.197 10 0 DEAERO CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC000132803984 196285451 /nfs/dbraw/zinc/28/54/51/196285451.db2.gz MUHDRPMEIXNVEQ-HOCLYGCPSA-N 1 0 309.454 2.070 10 0 DEAERO CCNc1ncc(Br)c(NCC[N@H+](C)C(C)C)n1 ZINC000132846839 196289721 /nfs/dbraw/zinc/28/97/21/196289721.db2.gz AWOPCZLCNKDUSL-UHFFFAOYSA-N 1 0 316.247 2.423 10 0 DEAERO CC1CC[NH+](CCCCNC(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000132903085 196294199 /nfs/dbraw/zinc/29/41/99/196294199.db2.gz FCJIXZRVQLRLJW-HNNXBMFYSA-N 1 0 318.465 2.458 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)c2sc(-c3ccccn3)nc2C)C1 ZINC000133221681 196322636 /nfs/dbraw/zinc/32/26/36/196322636.db2.gz LXRHPYOBMBKONE-GFCCVEGCSA-N 1 0 316.430 2.338 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CN(Cc2csc(Br)c2)CCO1 ZINC000133323643 196329629 /nfs/dbraw/zinc/32/96/29/196329629.db2.gz RRYQCXUGTGMFCK-PSASIEDQSA-N 1 0 305.241 2.059 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CC[C@H](NC(C)=O)C1 ZINC000133812661 196338367 /nfs/dbraw/zinc/33/83/67/196338367.db2.gz FPTXXHAZZKLPJY-COPLHBTASA-N 1 0 315.870 2.390 10 0 DEAERO CC(C)c1cc(C(=O)N2CCS[C@@H](C)[C@@H]2C)cc(NN)[nH+]1 ZINC000133934357 196346650 /nfs/dbraw/zinc/34/66/50/196346650.db2.gz PZGAQPMTMURAJV-QWRGUYRKSA-N 1 0 308.451 2.457 10 0 DEAERO [NH3+][C@H]1CN(c2ccc(Br)c(C(F)(F)F)c2)C1=O ZINC000133976420 196351333 /nfs/dbraw/zinc/35/13/33/196351333.db2.gz JUXIYZICPBIFHA-QMMMGPOBSA-N 1 0 309.085 2.142 10 0 DEAERO O=S1(=O)CCC[C@@H]1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000134008142 196353403 /nfs/dbraw/zinc/35/34/03/196353403.db2.gz SERQVQJYLBLCDU-ZIAGYGMSSA-N 1 0 301.452 2.035 10 0 DEAERO C[NH2+][C@@H](CSCCS(C)(=O)=O)c1cc(C)cc(C)c1 ZINC000134081741 196359602 /nfs/dbraw/zinc/35/96/02/196359602.db2.gz ZJKRBLXHVUTOFG-AWEZNQCLSA-N 1 0 301.477 2.342 10 0 DEAERO COc1ccc(Br)cc1C[C@H](O)CC[NH+](C)C ZINC000134772070 196418879 /nfs/dbraw/zinc/41/88/79/196418879.db2.gz LUSRMNNJVUSFOW-GFCCVEGCSA-N 1 0 302.212 2.313 10 0 DEAERO C[NH2+][C@H]1CSC[C@@H]1c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000134813802 196421294 /nfs/dbraw/zinc/42/12/94/196421294.db2.gz JIDKLBMVSJRFJP-RYUDHWBXSA-N 1 0 311.357 2.357 10 0 DEAERO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000262033324 287302471 /nfs/dbraw/zinc/30/24/71/287302471.db2.gz XTRJHJUDELURTL-ILOCAZANSA-N 1 0 310.482 2.328 10 0 DEAERO CCS(=O)(=O)C[C@H](C)[NH2+]CCc1cn(C)c2cc(C)ccc12 ZINC000188699184 225030361 /nfs/dbraw/zinc/03/03/61/225030361.db2.gz CVJKLJXLGCDXEU-AWEZNQCLSA-N 1 0 322.474 2.442 10 0 DEAERO C[C@@H]1CN(Cc2ccc(-c3ccccc3)o2)CC[N@@H+]1CCO ZINC000190252490 225080421 /nfs/dbraw/zinc/08/04/21/225080421.db2.gz SBQDNSAKABOOPN-OAHLLOKOSA-N 1 0 300.402 2.445 10 0 DEAERO C[C@H]([NH2+]CCO[C@@H]1CCCCO1)c1ccc(-n2ccnn2)cc1 ZINC000193092367 225150980 /nfs/dbraw/zinc/15/09/80/225150980.db2.gz JGASNIBBUVLYOB-WMLDXEAASA-N 1 0 316.405 2.461 10 0 DEAERO C[C@@H]1COCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000195418458 225205679 /nfs/dbraw/zinc/20/56/79/225205679.db2.gz CNMQMUXIIDIKCN-KBAYOESNSA-N 1 0 316.445 2.440 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Br)c[nH]1 ZINC000037505976 424807969 /nfs/dbraw/zinc/80/79/69/424807969.db2.gz ORFOTBSJGLKVQT-LLVKDONJSA-N 1 0 316.243 2.483 10 0 DEAERO Cc1ccc(NC(=O)Cn2cc(C(C)(C)[NH3+])nn2)c(Cl)c1 ZINC000070118448 424842135 /nfs/dbraw/zinc/84/21/35/424842135.db2.gz BHRJAOFKTKXHAL-UHFFFAOYSA-N 1 0 307.785 2.072 10 0 DEAERO CC1(C)C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000361528223 424845170 /nfs/dbraw/zinc/84/51/70/424845170.db2.gz VKTPGIFCQMORPF-PKOBYXMFSA-N 1 0 319.445 2.250 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2C)c1 ZINC000105881401 424849475 /nfs/dbraw/zinc/84/94/75/424849475.db2.gz HUKVTTQPZKIBLQ-HNNXBMFYSA-N 1 0 300.406 2.425 10 0 DEAERO CC[C@@H](C)n1nc(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1C ZINC000546583939 424865302 /nfs/dbraw/zinc/86/53/02/424865302.db2.gz BMVAEPNQWVTZOX-CQSZACIVSA-N 1 0 319.453 2.936 10 0 DEAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)no1 ZINC000194026874 424872667 /nfs/dbraw/zinc/87/26/67/424872667.db2.gz KZUBBLGPCRVJKE-NSHDSACASA-N 1 0 317.345 2.044 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(=O)n(C)c1)CC(C)C ZINC000194763194 424878853 /nfs/dbraw/zinc/87/88/53/424878853.db2.gz FHZMEKKSEPJQEN-OAHLLOKOSA-N 1 0 322.453 2.263 10 0 DEAERO CC(C)c1cc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)no1 ZINC000333195035 424920195 /nfs/dbraw/zinc/92/01/95/424920195.db2.gz WANKNALSANKGLZ-UHFFFAOYSA-N 1 0 306.410 2.796 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2cccc(F)c2Br)CCOC1 ZINC000404197246 424925789 /nfs/dbraw/zinc/92/57/89/424925789.db2.gz PSFUTDIEEXTMLC-ZDUSSCGKSA-N 1 0 318.186 2.219 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2ccccc2Br)CCOC1 ZINC000404196267 424925850 /nfs/dbraw/zinc/92/58/50/424925850.db2.gz INNHSOLTTKPMDM-ZDUSSCGKSA-N 1 0 300.196 2.080 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1nscc1Br ZINC000405019319 424930933 /nfs/dbraw/zinc/93/09/33/424930933.db2.gz LYTDHUNJQKLUPN-MRVPVSSYSA-N 1 0 320.256 2.366 10 0 DEAERO CC(C)(C)OC(=O)N1CC2(C1)CN(Cc1ccccc1)C[C@H]2[NH3+] ZINC000409434038 424934826 /nfs/dbraw/zinc/93/48/26/424934826.db2.gz VDGCJDWEKTVRMG-OAHLLOKOSA-N 1 0 317.433 2.067 10 0 DEAERO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(C3(C)CCCC3)on2)C1 ZINC000559502199 424887608 /nfs/dbraw/zinc/88/76/08/424887608.db2.gz OFTDLJFEBRHPID-ZDUSSCGKSA-N 1 0 320.437 2.970 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@](C)(O)C2CC2)C1 ZINC000309809556 424894189 /nfs/dbraw/zinc/89/41/89/424894189.db2.gz VYPGPPXFHBINKL-GUYCJALGSA-N 1 0 312.454 2.384 10 0 DEAERO Cc1ccc(/C=C/CC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000084760486 267384132 /nfs/dbraw/zinc/38/41/32/267384132.db2.gz HJUZFOVUOQJLRU-BDUNBXCCSA-N 1 0 315.461 2.150 10 0 DEAERO Cc1csc([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)n1 ZINC000653116526 425408835 /nfs/dbraw/zinc/40/88/35/425408835.db2.gz KGVLKGGKHULLBD-DJLDLDEBSA-N 1 0 307.341 2.027 10 0 DEAERO CCn1cc([C@@H]2OCCC[C@H]2C[NH2+]Cc2conc2C)cn1 ZINC000657589149 425371007 /nfs/dbraw/zinc/37/10/07/425371007.db2.gz GBJYNCVERMNJFV-XJKSGUPXSA-N 1 0 304.394 2.457 10 0 DEAERO CN1C[C@H](C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1=O ZINC000658237653 425458748 /nfs/dbraw/zinc/45/87/48/425458748.db2.gz BXOCKYHZHOXUBH-GVDBMIGSSA-N 1 0 316.445 2.438 10 0 DEAERO COC[C@]1(C(=O)NCc2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000659359165 425583847 /nfs/dbraw/zinc/58/38/47/425583847.db2.gz OXLZCLHRDWPJRZ-AWEZNQCLSA-N 1 0 317.216 2.378 10 0 DEAERO CC(=O)N(c1ccc(NC(=O)N2CC[NH2+]C[C@H]2C)cc1)C1CC1 ZINC000333095409 268884258 /nfs/dbraw/zinc/88/42/58/268884258.db2.gz ABXPIMLLEBUYGV-GFCCVEGCSA-N 1 0 316.405 2.028 10 0 DEAERO C[C@H](NC(=O)Nc1cccc2c1OCCC2=O)[C@H]1CCC[NH2+]C1 ZINC000333186008 268899573 /nfs/dbraw/zinc/89/95/73/268899573.db2.gz SWYZEYGQQJVBQP-RYUDHWBXSA-N 1 0 317.389 2.161 10 0 DEAERO C[C@H](NC(=O)Nc1ccc2c(c1)N(C)CC2)[C@H]1CCC[NH2+]C1 ZINC000333198952 268903149 /nfs/dbraw/zinc/90/31/49/268903149.db2.gz WZYOFXPPMIXAKW-JSGCOSHPSA-N 1 0 302.422 2.189 10 0 DEAERO CCc1ncc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000334097518 269017273 /nfs/dbraw/zinc/01/72/73/269017273.db2.gz SZBHLUNDJLOYIT-CQSZACIVSA-N 1 0 320.437 2.397 10 0 DEAERO c1ncn(-c2ccc(C[NH2+]C[C@@H]3COC4(CCCC4)O3)cc2)n1 ZINC000360059864 269047674 /nfs/dbraw/zinc/04/76/74/269047674.db2.gz QSHAHSCJWGQPNJ-MRXNPFEDSA-N 1 0 314.389 2.043 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCCOCc1ccccc1 ZINC000390779843 269097997 /nfs/dbraw/zinc/09/79/97/269097997.db2.gz QCRJBZSVKAQVON-DOTOQJQBSA-N 1 0 304.434 2.488 10 0 DEAERO C[NH+](C)C1(CNC(=O)c2ncsc2Br)CCC1 ZINC000517347401 269383976 /nfs/dbraw/zinc/38/39/76/269383976.db2.gz RPNQYJRQLRMAEI-UHFFFAOYSA-N 1 0 318.240 2.120 10 0 DEAERO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000179207314 273516266 /nfs/dbraw/zinc/51/62/66/273516266.db2.gz UCTIPWYNHVGQQQ-LBPRGKRZSA-N 1 0 321.446 2.224 10 0 DEAERO C[C@@H](CC(N)=O)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000135720446 274207847 /nfs/dbraw/zinc/20/78/47/274207847.db2.gz NRCUUTALIDQMPU-KWQFWETISA-N 1 0 313.195 2.126 10 0 DEAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000408381677 274395653 /nfs/dbraw/zinc/39/56/53/274395653.db2.gz MXSJDABIPYHQCH-KPEUIFRASA-N 1 0 316.445 2.414 10 0 DEAERO Cc1cc(C)n(-c2nc(C)c(C)c(N[C@@H]3CCC[NH2+]C3)n2)n1 ZINC000045947359 274691927 /nfs/dbraw/zinc/69/19/27/274691927.db2.gz CEIWBGNNDJGPOL-CQSZACIVSA-N 1 0 300.410 2.060 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cc(Br)ccc1O ZINC000125272730 274961783 /nfs/dbraw/zinc/96/17/83/274961783.db2.gz XPOGCTFTGKAWMC-WDEREUQCSA-N 1 0 313.195 2.154 10 0 DEAERO O=C([C@@H]1SCCc2sccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246687835 275007259 /nfs/dbraw/zinc/00/72/59/275007259.db2.gz BFVAWRJTKAVOAD-SMDDNHRTSA-N 1 0 308.472 2.385 10 0 DEAERO Brc1ccc2c(c1)[C@@H]([NH2+]CCn1cncn1)CC2 ZINC000282793735 275371753 /nfs/dbraw/zinc/37/17/53/275371753.db2.gz QTAKQNHCCJRKDE-ZDUSSCGKSA-N 1 0 307.195 2.318 10 0 DEAERO CC(C)(C)c1nnsc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000188957082 275541918 /nfs/dbraw/zinc/54/19/18/275541918.db2.gz MNOAMBPDNFHNFK-UHFFFAOYSA-N 1 0 308.451 2.192 10 0 DEAERO C([NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C1(N2CCOCC2)CC1 ZINC000341372562 275726731 /nfs/dbraw/zinc/72/67/31/275726731.db2.gz ODPAMZWJNRAAHO-ZACQAIPSSA-N 1 0 308.466 2.036 10 0 DEAERO CC1(C)CN(C(=O)c2cccnc2N2CCCCC2)CC[C@H]1[NH3+] ZINC000261937188 275843064 /nfs/dbraw/zinc/84/30/64/275843064.db2.gz JBGBBRVDPACYJD-OAHLLOKOSA-N 1 0 316.449 2.271 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000156685395 275912638 /nfs/dbraw/zinc/91/26/38/275912638.db2.gz WGXHWOAFBQFIMN-KGLIPLIRSA-N 1 0 324.494 2.204 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000495135827 276007036 /nfs/dbraw/zinc/00/70/36/276007036.db2.gz BSOYWKLNAMEAFK-FMKPAKJESA-N 1 0 312.479 2.032 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2ccccc2[nH]c1=O ZINC000177008210 276181562 /nfs/dbraw/zinc/18/15/62/276181562.db2.gz BSPSILRITDWPQH-AWEZNQCLSA-N 1 0 313.401 2.084 10 0 DEAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000236927491 276285636 /nfs/dbraw/zinc/28/56/36/276285636.db2.gz AFFXPNUJFXILTI-SOUVJXGZSA-N 1 0 309.841 2.329 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CCO1 ZINC000116791515 276769575 /nfs/dbraw/zinc/76/95/75/276769575.db2.gz HBQXNALZORKIHA-ZDUSSCGKSA-N 1 0 321.808 2.224 10 0 DEAERO CC(=O)Nc1cccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000157122805 277084879 /nfs/dbraw/zinc/08/48/79/277084879.db2.gz GPWUXMORYVIOIU-DOTOQJQBSA-N 1 0 315.417 2.201 10 0 DEAERO C[C@@H](O)CCC[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000450921698 277636221 /nfs/dbraw/zinc/63/62/21/277636221.db2.gz JPIIWGXYMXPNGU-NVXWUHKLSA-N 1 0 300.402 2.340 10 0 DEAERO C[C@H](C(=O)N1CCCC[C@@H]1c1nc[nH]n1)[C@H]([NH3+])c1ccccc1 ZINC000183002986 278138374 /nfs/dbraw/zinc/13/83/74/278138374.db2.gz YFYSXOINBMRISR-CFVMTHIKSA-N 1 0 313.405 2.194 10 0 DEAERO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000444787711 278335899 /nfs/dbraw/zinc/33/58/99/278335899.db2.gz YOFUTTBWGWBWLQ-KBPBESRZSA-N 1 0 307.438 2.409 10 0 DEAERO CC1(C)CN([C@H]2CCCN(c3cccc(F)c3)C2=O)CC[C@H]1[NH3+] ZINC000261841959 278341115 /nfs/dbraw/zinc/34/11/15/278341115.db2.gz QQCUUBJZJXGMHU-JKSUJKDBSA-N 1 0 319.424 2.380 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000250070305 278564199 /nfs/dbraw/zinc/56/41/99/278564199.db2.gz NWIJXHLUNMEIQS-OSMZGAPFSA-N 1 0 308.809 2.005 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC1(O)CCCCCC1 ZINC000118061672 279127427 /nfs/dbraw/zinc/12/74/27/279127427.db2.gz LEGRSDCMVMCGEB-OAHLLOKOSA-N 1 0 313.486 2.347 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1nc(COC)cs1 ZINC000174398246 279159611 /nfs/dbraw/zinc/15/96/11/279159611.db2.gz JFKDGJLDOULQPB-SNVBAGLBSA-N 1 0 300.428 2.141 10 0 DEAERO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)C[C@H]1CCCO1 ZINC000246283263 279205964 /nfs/dbraw/zinc/20/59/64/279205964.db2.gz NUXDHRYCHPEIOG-RHSMWYFYSA-N 1 0 302.418 2.071 10 0 DEAERO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246152633 279211060 /nfs/dbraw/zinc/21/10/60/279211060.db2.gz GOWNOVGIXUSFGY-TWMKSMIVSA-N 1 0 307.482 2.050 10 0 DEAERO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC[N@@H+](C2CC2)CC1 ZINC000178869401 279212880 /nfs/dbraw/zinc/21/28/80/279212880.db2.gz LKFABFQJNBZNID-BZUAXINKSA-N 1 0 307.482 2.335 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000247608151 279293445 /nfs/dbraw/zinc/29/34/45/279293445.db2.gz LYZGZCZJTQQDPV-KGLIPLIRSA-N 1 0 305.426 2.131 10 0 DEAERO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000193623791 279734024 /nfs/dbraw/zinc/73/40/24/279734024.db2.gz JIEQIJNBLUEMBW-QPUJVOFHSA-N 1 0 315.186 2.202 10 0 DEAERO O=C(C[C@H]1C(=O)Nc2ccccc21)NCC[NH+]1CCCCCC1 ZINC000132550371 279793840 /nfs/dbraw/zinc/79/38/40/279793840.db2.gz CYYGAFKSEKJCIQ-OAHLLOKOSA-N 1 0 315.417 2.105 10 0 DEAERO CCS(=O)(=O)N(C)C1CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000274473592 280006799 /nfs/dbraw/zinc/00/67/99/280006799.db2.gz ACZWKQPULLRNMZ-IRXDYDNUSA-N 1 0 322.474 2.288 10 0 DEAERO CC(C)[C@@H]1C[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000185923409 280026742 /nfs/dbraw/zinc/02/67/42/280026742.db2.gz IOEKSVNZGRQSEB-HOTGVXAUSA-N 1 0 308.466 2.430 10 0 DEAERO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000121179545 280283265 /nfs/dbraw/zinc/28/32/65/280283265.db2.gz VLEVDNMPARHXTL-CYBMUJFWSA-N 1 0 317.389 2.281 10 0 DEAERO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000249320880 280927357 /nfs/dbraw/zinc/92/73/57/280927357.db2.gz QQPCNQPARFYVHI-IJEWVQPXSA-N 1 0 311.447 2.172 10 0 DEAERO CC1(C)CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[C@H]1[NH3+] ZINC000261698863 281231745 /nfs/dbraw/zinc/23/17/45/281231745.db2.gz HYQLBATVSNLAEO-LZUXJJCOSA-N 1 0 319.493 2.131 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(-c2cccnc2)on1 ZINC000068224087 281522990 /nfs/dbraw/zinc/52/29/90/281522990.db2.gz UKERBOQSUNEIPK-AWEZNQCLSA-N 1 0 316.405 2.443 10 0 DEAERO CC[C@](C)(CCO)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179482834 288389611 /nfs/dbraw/zinc/38/96/11/288389611.db2.gz MGLVBVYXUSSTMC-LZLYRXPVSA-N 1 0 319.449 2.282 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000247340066 289306511 /nfs/dbraw/zinc/30/65/11/289306511.db2.gz XMYIPZHOYCOKGZ-HPFXQQBRSA-N 1 0 323.481 2.196 10 0 DEAERO C[C@H](C(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C)C1C[NH2+]C1 ZINC000262309892 289319495 /nfs/dbraw/zinc/31/94/95/289319495.db2.gz BRVOFDVGOKUPOA-MQIPJXDCSA-N 1 0 322.836 2.484 10 0 DEAERO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)c1ccccc1 ZINC000262037221 289364600 /nfs/dbraw/zinc/36/46/00/289364600.db2.gz YCAYPXKMGYJQPX-WJFTUGDTSA-N 1 0 317.477 2.036 10 0 DEAERO C[C@H]1CCN(C(=O)c2coc(Br)c2)[C@@H](C[NH3+])C1 ZINC000261919862 290570276 /nfs/dbraw/zinc/57/02/76/290570276.db2.gz YQTLRHCUDSBLED-WCBMZHEXSA-N 1 0 301.184 2.242 10 0 DEAERO NC(=O)N1CCC([NH2+][C@H]2CCCOc3c(F)cccc32)CC1 ZINC000181088829 295061288 /nfs/dbraw/zinc/06/12/88/295061288.db2.gz WMUNMCIMFMDHMG-AWEZNQCLSA-N 1 0 307.369 2.172 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+][C@H](CCO)C2CCOCC2)cc1 ZINC000359402871 295141077 /nfs/dbraw/zinc/14/10/77/295141077.db2.gz VAKWATWGZYWRPA-KBXCAEBGSA-N 1 0 307.434 2.393 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3ncnn3C1)CCCO2 ZINC000180604028 295275714 /nfs/dbraw/zinc/27/57/14/295275714.db2.gz WRUZMHUAFYMUIX-IUODEOHRSA-N 1 0 314.389 2.105 10 0 DEAERO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000246955799 298187413 /nfs/dbraw/zinc/18/74/13/298187413.db2.gz JLKUOAVMYAFSCO-VOYDFQSCSA-N 1 0 308.466 2.163 10 0 DEAERO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)nn1C ZINC000261682875 301101737 /nfs/dbraw/zinc/10/17/37/301101737.db2.gz HCRZOGPBEYEAHT-HNNXBMFYSA-N 1 0 318.808 2.169 10 0 DEAERO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCCN1C ZINC000183407950 302184374 /nfs/dbraw/zinc/18/43/74/302184374.db2.gz FNPWWPKGFQMQFJ-HKUYNNGSSA-N 1 0 317.477 2.052 10 0 DEAERO [NH3+]Cc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000262319736 303432577 /nfs/dbraw/zinc/43/25/77/303432577.db2.gz QVVMYEKKHLGSPL-YOEHRIQHSA-N 1 0 303.406 2.304 10 0 DEAERO CC/C=C\CC[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000342234940 325803807 /nfs/dbraw/zinc/80/38/07/325803807.db2.gz SPQKAZZIIIRJBR-AWFCHZOYSA-N 1 0 307.482 2.408 10 0 DEAERO C[N@H+](CCNC(=O)NCCOCC1CCC1)Cc1ccccc1 ZINC000573772159 326089415 /nfs/dbraw/zinc/08/94/15/326089415.db2.gz LDFVIEIWGFYEJD-UHFFFAOYSA-N 1 0 319.449 2.234 10 0 DEAERO Brc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)nc1 ZINC000574005610 326113438 /nfs/dbraw/zinc/11/34/38/326113438.db2.gz VIWDMRYBHGCEIJ-JTQLQIEISA-N 1 0 307.195 2.214 10 0 DEAERO C[C@@H](CNC(=O)NCCOCC1CCC1)[N@@H+]1CCCC[C@H]1C ZINC000575037635 326211967 /nfs/dbraw/zinc/21/19/67/326211967.db2.gz RHTKMBAEHSUQEO-CABCVRRESA-N 1 0 311.470 2.365 10 0 DEAERO COC[C@H](C)C[NH2+]C[C@@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000187617725 332978427 /nfs/dbraw/zinc/97/84/27/332978427.db2.gz COIUCDJEYBOZBP-HIFRSBDPSA-N 1 0 310.438 2.179 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000187719559 332983391 /nfs/dbraw/zinc/98/33/91/332983391.db2.gz KRWOZGLPSLNUNE-WCQYABFASA-N 1 0 321.339 2.317 10 0 DEAERO COC[C@H](C)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000188182443 333037889 /nfs/dbraw/zinc/03/78/89/333037889.db2.gz SMIYKJPKLKPDAE-DIOULYMOSA-N 1 0 310.825 2.484 10 0 DEAERO CC(C)OCC[C@@H](O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000582444333 337004240 /nfs/dbraw/zinc/00/42/40/337004240.db2.gz ZUKTXUVEDUZRNY-CQSZACIVSA-N 1 0 307.390 2.036 10 0 DEAERO CC(=O)c1cnc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)s1 ZINC000583260241 337291113 /nfs/dbraw/zinc/29/11/13/337291113.db2.gz LGSCRTYXUQUFRH-GFCCVEGCSA-N 1 0 301.371 2.171 10 0 DEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398014630 337303915 /nfs/dbraw/zinc/30/39/15/337303915.db2.gz FVCJQJABFWECGI-QXAKKESOSA-N 1 0 320.477 2.417 10 0 DEAERO CCCc1cc(C(=O)NCC)ccc1OC[C@H](O)C[NH2+]C(C)C ZINC000584592704 337373554 /nfs/dbraw/zinc/37/35/54/337373554.db2.gz LOJHVDYPTGQYLA-MRXNPFEDSA-N 1 0 322.449 2.127 10 0 DEAERO Cc1c(N2CC[NH2+]CC2)c(F)cc2ccc(=O)n(C3CC3)c12 ZINC000584622147 337375066 /nfs/dbraw/zinc/37/50/66/337375066.db2.gz XMWBIDZJYPDKGT-UHFFFAOYSA-N 1 0 301.365 2.194 10 0 DEAERO O=C(NC[C@@H]1CCOc2ccccc21)N1CCC2(CC[NH2+]2)CC1 ZINC000333254948 501056038 /nfs/dbraw/zinc/05/60/38/501056038.db2.gz HRWBJZZREZCFHM-AWEZNQCLSA-N 1 0 315.417 2.090 10 0 DEAERO CC(C)NC(=O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127368064 519708551 /nfs/dbraw/zinc/70/85/51/519708551.db2.gz WMTQEHUCVBJYAS-UHFFFAOYSA-N 1 0 303.175 2.202 10 0 DEAERO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000365672360 519728731 /nfs/dbraw/zinc/72/87/31/519728731.db2.gz UWEVMLZLOWDYRL-INIZCTEOSA-N 1 0 318.417 2.403 10 0 DEAERO CC(C)Oc1cccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000247076457 519782458 /nfs/dbraw/zinc/78/24/58/519782458.db2.gz VVFQTULOPBQTMC-DZGCQCFKSA-N 1 0 305.422 2.327 10 0 DEAERO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000157888248 519787010 /nfs/dbraw/zinc/78/70/10/519787010.db2.gz LNSFYCDCGPHEHA-UONOGXRCSA-N 1 0 324.446 2.076 10 0 DEAERO CC(C)c1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2cnccn2)n1 ZINC000070456312 519833427 /nfs/dbraw/zinc/83/34/27/519833427.db2.gz ZCHYOEVKBVIOCR-ZDUSSCGKSA-N 1 0 312.421 2.469 10 0 DEAERO CCOCC[N@H+](CC)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000107677761 519909991 /nfs/dbraw/zinc/90/99/91/519909991.db2.gz WWKYWPIONNGQOA-LBPRGKRZSA-N 1 0 310.360 2.146 10 0 DEAERO CCOCC[N@@H+]1CCN(Cc2nc(C(C)(C)C)no2)C[C@@H]1CC ZINC000106117150 519921195 /nfs/dbraw/zinc/92/11/95/519921195.db2.gz SLVHHBBIXRPNQU-AWEZNQCLSA-N 1 0 324.469 2.300 10 0 DEAERO CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000105897270 520667172 /nfs/dbraw/zinc/66/71/72/520667172.db2.gz LCJLKVIEKQWQAT-GJZGRUSLSA-N 1 0 306.454 2.387 10 0 DEAERO CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[C@@H](C)O ZINC000114820556 520760305 /nfs/dbraw/zinc/76/03/05/520760305.db2.gz HFAMOETWLROHLG-CQSZACIVSA-N 1 0 307.438 2.099 10 0 DEAERO CCC[C@H](C(=O)NCc1ccc(OCC2CC2)nc1)[NH+](C)C ZINC000161880613 520982916 /nfs/dbraw/zinc/98/29/16/520982916.db2.gz OLMPDMXZVTUTJV-OAHLLOKOSA-N 1 0 305.422 2.217 10 0 DEAERO CCC[C@H](C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1)[NH+](C)C ZINC000154897003 520984673 /nfs/dbraw/zinc/98/46/73/520984673.db2.gz LDPDUXWIUCGEGW-HZPDHXFCSA-N 1 0 323.481 2.014 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2c(C)noc2C)[C@@H](C)C1 ZINC000246395592 521712101 /nfs/dbraw/zinc/71/21/01/521712101.db2.gz JMZZFFDNRGXJEQ-XHDPSFHLSA-N 1 0 308.426 2.163 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cc2ccc(CSC(F)F)o2)CCO1 ZINC000128076839 521851133 /nfs/dbraw/zinc/85/11/33/521851133.db2.gz IRVAFKQDAAFHTR-CYBMUJFWSA-N 1 0 320.405 2.498 10 0 DEAERO CCc1oc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000119524178 522986831 /nfs/dbraw/zinc/98/68/31/522986831.db2.gz CHGUHRZVFBRCPX-ZIAGYGMSSA-N 1 0 308.422 2.380 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000102903309 523048957 /nfs/dbraw/zinc/04/89/57/523048957.db2.gz JHPAVDJEHMYREV-INIZCTEOSA-N 1 0 311.470 2.461 10 0 DEAERO COCCCOC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000122777897 523384870 /nfs/dbraw/zinc/38/48/70/523384870.db2.gz MGDKKOXJTAQNNQ-GOSISDBHSA-N 1 0 307.434 2.412 10 0 DEAERO CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237248777 523561250 /nfs/dbraw/zinc/56/12/50/523561250.db2.gz DXLPBEHBNXDZEQ-LBPRGKRZSA-N 1 0 319.474 2.370 10 0 DEAERO COc1ccccc1CCN(C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000105263138 524406544 /nfs/dbraw/zinc/40/65/44/524406544.db2.gz FCWFEUVJASEFMG-AWEZNQCLSA-N 1 0 319.449 2.362 10 0 DEAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000245927214 524611723 /nfs/dbraw/zinc/61/17/23/524611723.db2.gz SXXGBAFEYIACAK-ILXRZTDVSA-N 1 0 321.469 2.243 10 0 DEAERO COc1ccc(OC)c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000246814010 524808890 /nfs/dbraw/zinc/80/88/90/524808890.db2.gz DIECCKWIPJUJDJ-SWLSCSKDSA-N 1 0 306.406 2.162 10 0 DEAERO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CCO1 ZINC000328655431 534815183 /nfs/dbraw/zinc/81/51/83/534815183.db2.gz YKHXFAKGCOLNCY-XVLPMQGWSA-N 1 0 305.422 2.043 10 0 DEAERO Cn1cncc1[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000328626403 534815587 /nfs/dbraw/zinc/81/55/87/534815587.db2.gz FALYDPFDSJMGHD-UKRRQHHQSA-N 1 0 317.437 2.451 10 0 DEAERO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CCO1 ZINC000328655429 534815973 /nfs/dbraw/zinc/81/59/73/534815973.db2.gz YKHXFAKGCOLNCY-HUHANWACSA-N 1 0 305.422 2.043 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)CSCc2ccccn2)CC[N@@H+]1C ZINC000124343175 524899206 /nfs/dbraw/zinc/89/92/06/524899206.db2.gz BREVCELNMNTIMK-DZGCQCFKSA-N 1 0 307.463 2.256 10 0 DEAERO CC(=O)c1ccc(CC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000371245064 534839332 /nfs/dbraw/zinc/83/93/32/534839332.db2.gz SFZSYFWESDEFED-QZTJIDSGSA-N 1 0 314.429 2.422 10 0 DEAERO Cc1ccccc1OCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105170154 525299403 /nfs/dbraw/zinc/29/94/03/525299403.db2.gz UJXIRSOEAIGKDF-MRXNPFEDSA-N 1 0 317.433 2.254 10 0 DEAERO C[C@@H](O)CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000119063094 525771441 /nfs/dbraw/zinc/77/14/41/525771441.db2.gz KDHBMNKGTFUHPH-CHWSQXEVSA-N 1 0 312.841 2.438 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457841656 534908531 /nfs/dbraw/zinc/90/85/31/534908531.db2.gz XJCZCNCUKXBWTG-INIZCTEOSA-N 1 0 318.417 2.386 10 0 DEAERO COc1cccc(OC)c1CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247485491 526221549 /nfs/dbraw/zinc/22/15/49/526221549.db2.gz WMCGQOWQCLIKGE-DZGCQCFKSA-N 1 0 320.433 2.091 10 0 DEAERO Cc1cc(C(=O)N2CC[NH+]3CCC2CC3)nn1-c1ccccc1 ZINC000188850009 526254416 /nfs/dbraw/zinc/25/44/16/526254416.db2.gz VYLZPXIKRYVKLH-UHFFFAOYSA-N 1 0 310.401 2.101 10 0 DEAERO C=Cn1cc(C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cn1 ZINC000194257297 526282876 /nfs/dbraw/zinc/28/28/76/526282876.db2.gz HKKWJHBDGSOBTB-UHFFFAOYSA-N 1 0 320.396 2.483 10 0 DEAERO CC(=O)CSCC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000447720714 526445731 /nfs/dbraw/zinc/44/57/31/526445731.db2.gz CRVIZAIEYPNXNU-AWEZNQCLSA-N 1 0 322.430 2.333 10 0 DEAERO CC[NH+](CC)[C@@H](C(=O)NCC1(CCO)CC1)c1ccccc1 ZINC000188016455 528226302 /nfs/dbraw/zinc/22/63/02/528226302.db2.gz UHKDXCUHQVEVFB-MRXNPFEDSA-N 1 0 304.434 2.348 10 0 DEAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000195215076 528619938 /nfs/dbraw/zinc/61/99/38/528619938.db2.gz CDMJTCKSAIBZIU-YOEHRIQHSA-N 1 0 318.421 2.096 10 0 DEAERO CC(=O)c1ccccc1OCCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247059050 534927441 /nfs/dbraw/zinc/92/74/41/534927441.db2.gz HGDGBSHEGUKFJG-ZBFHGGJFSA-N 1 0 302.418 2.437 10 0 DEAERO CC(C)n1cc2c(n1)C[C@@H](NC(=O)CCC1CC[NH2+]CC1)CC2 ZINC000262950628 535069732 /nfs/dbraw/zinc/06/97/32/535069732.db2.gz JNRZQFZGTPIODU-INIZCTEOSA-N 1 0 318.465 2.217 10 0 DEAERO CC(C)n1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)n1 ZINC000261799923 535080230 /nfs/dbraw/zinc/08/02/30/535080230.db2.gz VPBLPGZVUYXDID-UHFFFAOYSA-N 1 0 300.406 2.108 10 0 DEAERO CC(C)n1ncc2ccc(NC(=O)C3([NH3+])CCOCC3)cc21 ZINC000261886063 535141120 /nfs/dbraw/zinc/14/11/20/535141120.db2.gz PYXRZRKRVOFKQB-UHFFFAOYSA-N 1 0 302.378 2.064 10 0 DEAERO CC1(C)CN(CC(=O)N[C@@H]2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000261820699 535352449 /nfs/dbraw/zinc/35/24/49/535352449.db2.gz PKTWBUCMIMWALP-IAGOWNOFSA-N 1 0 315.461 2.239 10 0 DEAERO CC1(C)CN(CC(=O)Nc2cc(Cl)ccc2F)CC[C@@H]1[NH3+] ZINC000261669435 535352768 /nfs/dbraw/zinc/35/27/68/535352768.db2.gz GFGPKZGLSHBLSU-ZDUSSCGKSA-N 1 0 313.804 2.477 10 0 DEAERO CCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@]1(C)CC[NH2+]C1 ZINC000261687623 535390800 /nfs/dbraw/zinc/39/08/00/535390800.db2.gz ARFMPOVYDJRHSB-KRWDZBQOSA-N 1 0 300.406 2.157 10 0 DEAERO CCC[C@H](C(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1)[NH+](C)C ZINC000187690231 535580374 /nfs/dbraw/zinc/58/03/74/535580374.db2.gz ZEQBVCSXCAYLPD-QLFBSQMISA-N 1 0 310.463 2.013 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)CCc1cccs1 ZINC000189685177 535593386 /nfs/dbraw/zinc/59/33/86/535593386.db2.gz XBXLGOSBFVLEKE-ZDUSSCGKSA-N 1 0 316.492 2.037 10 0 DEAERO CCOc1ncccc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247067304 535596226 /nfs/dbraw/zinc/59/62/26/535596226.db2.gz ITRAMZKLYBQGBW-UKRRQHHQSA-N 1 0 320.437 2.008 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1c(F)ccc(OC)c1OC ZINC000188190309 535649651 /nfs/dbraw/zinc/64/96/51/535649651.db2.gz UETMUKOOOQXZIO-NSHDSACASA-N 1 0 312.385 2.303 10 0 DEAERO C[NH+](C)CCCCNC(=O)C[C@@H]1CSc2ccccc2O1 ZINC000449880436 535828684 /nfs/dbraw/zinc/82/86/84/535828684.db2.gz OIBVKIZGPYPIPX-CYBMUJFWSA-N 1 0 308.447 2.388 10 0 DEAERO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1nccn1C ZINC000374791859 535911137 /nfs/dbraw/zinc/91/11/37/535911137.db2.gz HZQCWLPTZLIJSX-ILXRZTDVSA-N 1 0 307.438 2.029 10 0 DEAERO CCc1ccccc1NC(=O)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261864836 535949403 /nfs/dbraw/zinc/94/94/03/535949403.db2.gz WUZICXJRNUWQEA-SFHVURJKSA-N 1 0 324.428 2.229 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccccc1 ZINC000251586900 535951786 /nfs/dbraw/zinc/95/17/86/535951786.db2.gz FIYZYVNOGWBOLP-NCOADZHNSA-N 1 0 317.433 2.156 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)N[C@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000332751833 535951978 /nfs/dbraw/zinc/95/19/78/535951978.db2.gz BTVRXJIHERMIAV-YESZJQIVSA-N 1 0 317.433 2.156 10 0 DEAERO CN(C(=O)C1([NH3+])CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000261698547 535961630 /nfs/dbraw/zinc/96/16/30/535961630.db2.gz DSAMEEZPXTXUCI-UHFFFAOYSA-N 1 0 318.295 2.056 10 0 DEAERO CN(C(=O)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000246552355 535971176 /nfs/dbraw/zinc/97/11/76/535971176.db2.gz KLIJMYHNBWZTLD-SJLPKXTDSA-N 1 0 315.461 2.456 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1nc(C)sc1C ZINC000246989406 536165986 /nfs/dbraw/zinc/16/59/86/536165986.db2.gz KNRVNZFEZRLWIP-KBPBESRZSA-N 1 0 307.463 2.388 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ncccc1C ZINC000246307214 536166578 /nfs/dbraw/zinc/16/65/78/536166578.db2.gz NKPOIAYNGYQGPR-GJZGRUSLSA-N 1 0 302.422 2.158 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000189218391 536174389 /nfs/dbraw/zinc/17/43/89/536174389.db2.gz BCIAMICAYRAERD-VXGBXAGGSA-N 1 0 305.344 2.396 10 0 DEAERO CCc1ccc(OCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000247383707 536191428 /nfs/dbraw/zinc/19/14/28/536191428.db2.gz PYVOIPRJEGPQIN-PBHICJAKSA-N 1 0 304.434 2.473 10 0 DEAERO C[NH+]1CCC2(CCCN(C(=O)Cc3cccc(O)c3)C2)CC1 ZINC000374108940 536346716 /nfs/dbraw/zinc/34/67/16/536346716.db2.gz QILZULCYBRPEDJ-UHFFFAOYSA-N 1 0 302.418 2.269 10 0 DEAERO C[NH2+][C@@H](C)Cc1noc(-c2ccnc(N3CC[C@H](C)C3)c2)n1 ZINC000261679790 536347352 /nfs/dbraw/zinc/34/73/52/536347352.db2.gz GVVCAVKBQUJPHG-RYUDHWBXSA-N 1 0 301.394 2.128 10 0 DEAERO C[NH2+][C@@H]1CCCN(Cc2noc(Cc3ccccc3C)n2)C1 ZINC000261855276 536363730 /nfs/dbraw/zinc/36/37/30/536363730.db2.gz YPVMVLPLXFHXQU-OAHLLOKOSA-N 1 0 300.406 2.153 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000247114355 536376490 /nfs/dbraw/zinc/37/64/90/536376490.db2.gz QTSSRJFHYMAKBI-UKRRQHHQSA-N 1 0 320.820 2.465 10 0 DEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)COc3ccccc3F)CC[C@H]21 ZINC000247928231 536377139 /nfs/dbraw/zinc/37/71/39/536377139.db2.gz BUNUKBFSJQYPMI-UKRRQHHQSA-N 1 0 306.381 2.147 10 0 DEAERO C[NH2+][C@H](C)CNC(=O)CCOc1cccc(Cl)c1Cl ZINC000261825410 536391653 /nfs/dbraw/zinc/39/16/53/536391653.db2.gz UWEZGGYXJRNKFK-SECBINFHSA-N 1 0 305.205 2.486 10 0 DEAERO C[N@H+](C[C@@H](O)C1CCCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000191333901 536418167 /nfs/dbraw/zinc/41/81/67/536418167.db2.gz OVMHXBMXUDGPER-IAGOWNOFSA-N 1 0 318.465 2.318 10 0 DEAERO COC(=O)c1ccc(-c2noc([C@H]3CC[NH2+][C@@H](C)C3)n2)cc1 ZINC000261866038 536598996 /nfs/dbraw/zinc/59/89/96/536598996.db2.gz UUCDXXKYBQQJGL-GWCFXTLKSA-N 1 0 301.346 2.379 10 0 DEAERO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)[nH]1 ZINC000375400564 536670361 /nfs/dbraw/zinc/67/03/61/536670361.db2.gz FWJYCEUKZPKSEA-LLVKDONJSA-N 1 0 316.361 2.051 10 0 DEAERO COc1ccc(NC(=O)CCN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247532648 536761306 /nfs/dbraw/zinc/76/13/06/536761306.db2.gz XQJGSKHESBZLQN-ZBFHGGJFSA-N 1 0 317.433 2.192 10 0 DEAERO COc1ccc(C)cc1NC(=O)[C@@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261925045 536813271 /nfs/dbraw/zinc/81/32/71/536813271.db2.gz ZDWYQLVYRFYWNC-CJNGLKHVSA-N 1 0 319.449 2.390 10 0 DEAERO C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(N)=[NH+]2 ZINC000004654919 560199340 /nfs/dbraw/zinc/19/93/40/560199340.db2.gz LLAKESJIQFAQJA-PLCDLCHKSA-N 1 0 304.434 2.289 10 0 in-vitro DEAERO C[C@@H]1CN(Cc2cnc(NC(=O)C(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000725272075 563577506 /nfs/dbraw/zinc/57/75/06/563577506.db2.gz LYFVFQSVPLBSPT-PWSUYJOCSA-N 1 0 310.467 2.297 10 0 DEAERO CC(C)[C@@]1(CO)C[C@@H]1C[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000685960729 563775244 /nfs/dbraw/zinc/77/52/44/563775244.db2.gz AUIDQLXODYEFCG-PBHICJAKSA-N 1 0 312.454 2.194 10 0 DEAERO C[NH2+]CC[C@H](CO)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000685963443 563961501 /nfs/dbraw/zinc/96/15/01/563961501.db2.gz OOBTWUQVOSJUBY-MCIONIFRSA-N 1 0 300.443 2.098 10 0 DEAERO COCC[C@@H]([NH3+])C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000052792659 625321179 /nfs/dbraw/zinc/32/11/79/625321179.db2.gz QTJUVWBWHYOTDE-GFCCVEGCSA-N 1 0 300.786 2.430 10 0 DEAERO Cn1ccnc1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309901815 625365324 /nfs/dbraw/zinc/36/53/24/625365324.db2.gz INQWEGVXYACDER-FGTMMUONSA-N 1 0 310.445 2.420 10 0 DEAERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000310023949 625385383 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CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000226463122 623997253 /nfs/dbraw/zinc/99/72/53/623997253.db2.gz MAGLCWAECCKYTO-JTQLQIEISA-N 1 0 320.817 2.242 10 0 DEAERO COc1ccccc1C/C(C)=C\C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000255293940 624111806 /nfs/dbraw/zinc/11/18/06/624111806.db2.gz NPFCZDAZLXSIDP-HECSCLNYSA-N 1 0 302.418 2.347 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)/C=C\c1ccccc1 ZINC000255557839 625058328 /nfs/dbraw/zinc/05/83/28/625058328.db2.gz OPCZEWDUSTZLTC-VGMOZLQASA-N 1 0 308.447 2.259 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+]Cc1csc(Br)c1 ZINC000309342063 625135508 /nfs/dbraw/zinc/13/55/08/625135508.db2.gz KPNOOZPTXHYKAE-SNVBAGLBSA-N 1 0 308.241 2.386 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1OC ZINC000309854888 625151442 /nfs/dbraw/zinc/15/14/42/625151442.db2.gz CQYGPQLQDGAUNT-XJFOESAGSA-N 1 0 316.442 2.024 10 0 DEAERO C[C@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000180736791 625222591 /nfs/dbraw/zinc/22/25/91/625222591.db2.gz 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645272176 /nfs/dbraw/zinc/27/21/76/645272176.db2.gz ORVHSALEKAGNKY-ZDUSSCGKSA-N 1 0 320.389 2.294 10 0 DEAERO CCOC(=O)Oc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000800531065 645285094 /nfs/dbraw/zinc/28/50/94/645285094.db2.gz UCGAZDMMDWMPRE-UHFFFAOYSA-N 1 0 308.378 2.246 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)c1cc(C)cc(C)c1 ZINC000801532695 645410291 /nfs/dbraw/zinc/41/02/91/645410291.db2.gz CWKXPPKVKJZSTG-SJORKVTESA-N 1 0 304.434 2.327 10 0 DEAERO S=C1OCCN1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000151441497 646383547 /nfs/dbraw/zinc/38/35/47/646383547.db2.gz XOFPKFNPNRYPQT-UHFFFAOYSA-N 1 0 311.495 2.149 10 0 DEAERO C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000222544383 646451243 /nfs/dbraw/zinc/45/12/43/646451243.db2.gz MNSFVISPMMMMJX-RISCZKNCSA-N 1 0 308.809 2.318 10 0 DEAERO C[NH+](C)C1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 ZINC000058176258 646538284 /nfs/dbraw/zinc/53/82/84/646538284.db2.gz CRWHOHTWCOYHAJ-UHFFFAOYSA-N 1 0 320.458 2.330 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cncnc1 ZINC000230685012 646743761 /nfs/dbraw/zinc/74/37/61/646743761.db2.gz YRNZBJSKKLHIMN-UONOGXRCSA-N 1 0 306.410 2.260 10 0 DEAERO Cc1cc(C)cc([C@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)c1 ZINC000173668226 646776670 /nfs/dbraw/zinc/77/66/70/646776670.db2.gz CVQKMDOBXSRGAB-GOSISDBHSA-N 1 0 316.445 2.424 10 0 DEAERO CC(C)C[C@@H](CO)[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000232615488 646815924 /nfs/dbraw/zinc/81/59/24/646815924.db2.gz GDHLBAKWIOFKMC-KBPBESRZSA-N 1 0 300.443 2.383 10 0 DEAERO COC(=O)[C@H]1CCC[N@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000151641484 646989919 /nfs/dbraw/zinc/98/99/19/646989919.db2.gz RPIHIYXUOQVKTH-AWEZNQCLSA-N 1 0 301.390 2.496 10 0 DEAERO CCn1c(=S)n(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nc1C1CC1 ZINC000153216564 647386373 /nfs/dbraw/zinc/38/63/73/647386373.db2.gz SIKYCZZEHUMHBT-GXTWGEPZSA-N 1 0 321.494 2.437 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N(C)OC)cc1 ZINC000731436844 647478026 /nfs/dbraw/zinc/47/80/26/647478026.db2.gz MYRVKBNZOPZVQV-HNNXBMFYSA-N 1 0 319.405 2.133 10 0 DEAERO CCOC(=O)c1cn(CN(CC)CCOC)nc1C(F)(F)F ZINC000731496042 647484556 /nfs/dbraw/zinc/48/45/56/647484556.db2.gz XPMBEOKKHOQASR-UHFFFAOYSA-N 1 0 323.315 2.004 10 0 DEAERO C/C(=C/C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(F)c1 ZINC000732064803 647537365 /nfs/dbraw/zinc/53/73/65/647537365.db2.gz FSZKSUUWFXVWGL-QIXZXHIJSA-N 1 0 318.392 2.208 10 0 DEAERO C#CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CCCCC1 ZINC000068334456 648446195 /nfs/dbraw/zinc/44/61/95/648446195.db2.gz MOZSJCAQPCYYAH-ZWKOTPCHSA-N 1 0 318.461 2.424 10 0 DEAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(F)(F)c1ccccc1 ZINC000076002526 648850898 /nfs/dbraw/zinc/85/08/98/648850898.db2.gz VSAFXGIQMJYKCF-AWEZNQCLSA-N 1 0 312.360 2.005 10 0 DEAERO CCc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)s1 ZINC000070196114 648867005 /nfs/dbraw/zinc/86/70/05/648867005.db2.gz AMJWMPAVEWZSED-LBPRGKRZSA-N 1 0 322.455 2.389 10 0 DEAERO CCCCCCNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184685252 649343031 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Cc1c(O)ccc2c(CN3CCC([NH+](C)C)CC3)cc(=O)oc12 ZINC000127894549 684166949 /nfs/dbraw/zinc/16/69/49/684166949.db2.gz XJHCGHHOBONTHP-UHFFFAOYSA-N 1 0 316.401 2.333 10 0 DEAERO CCOCc1nc(Cl)cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000130168912 684186100 /nfs/dbraw/zinc/18/61/00/684186100.db2.gz QSFXZDOHXMHKAV-RYUDHWBXSA-N 1 0 310.829 2.339 10 0 DEAERO O[C@H]1C[NH2+][C@@H](c2nc(Cc3ccc(Cl)cc3Cl)no2)C1 ZINC000131714973 684201523 /nfs/dbraw/zinc/20/15/23/684201523.db2.gz BYZJRTWYZATBGL-MWLCHTKSSA-N 1 0 314.172 2.363 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000140475861 684252896 /nfs/dbraw/zinc/25/28/96/684252896.db2.gz BUNOXHLVERUVLO-ZDUSSCGKSA-N 1 0 301.346 2.009 10 0 DEAERO [NH3+]CCCCCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000155818912 684280667 /nfs/dbraw/zinc/28/06/67/684280667.db2.gz DLGVIKCOMPGPFK-LBPRGKRZSA-N 1 0 311.376 2.179 10 0 DEAERO C[N@H+](Cc1cccc(Br)c1[O-])CC1(CO)CC1 ZINC000188952577 684368619 /nfs/dbraw/zinc/36/86/19/684368619.db2.gz FPSPDGATXSVVTJ-UHFFFAOYSA-N 1 0 300.196 2.359 10 0 DEAERO COc1ccc2c(c1)C(=O)N(C[N@H+](C[C@H]1CCOC1)C1CC1)C2 ZINC000189708170 684386953 /nfs/dbraw/zinc/38/69/53/684386953.db2.gz KEWMQDPYVSPCGY-CYBMUJFWSA-N 1 0 316.401 2.109 10 0 DEAERO C[N@H+](CCCOC(=O)CCc1ccncn1)Cc1ccccc1 ZINC000192434614 684449910 /nfs/dbraw/zinc/44/99/10/684449910.db2.gz NBLTYJDHGGXKQE-UHFFFAOYSA-N 1 0 313.401 2.475 10 0 DEAERO CC(=O)c1ccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000193341175 685037941 /nfs/dbraw/zinc/03/79/41/685037941.db2.gz YGKVTBLEGBKSES-KRWDZBQOSA-N 1 0 319.401 2.403 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000193494174 685042001 /nfs/dbraw/zinc/04/20/01/685042001.db2.gz HCAWTBZUOBQHFQ-DGCLKSJQSA-N 1 0 316.430 2.031 10 0 DEAERO C[NH2+][C@H]1CCCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000211380166 685102786 /nfs/dbraw/zinc/10/27/86/685102786.db2.gz ZCCHRZHOBZUEHC-GDAGCXPBSA-N 1 0 314.838 2.324 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[C@H](O)c2ccccc2)C1 ZINC000246818004 685137173 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COC(OC)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399148029 790325849 /nfs/dbraw/zinc/32/58/49/790325849.db2.gz XVFGZTOLYFUOIS-FRRDWIJNSA-N 1 0 316.442 2.371 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1C ZINC000722593513 776536839 /nfs/dbraw/zinc/53/68/39/776536839.db2.gz BHXXOKUGOGEWGX-NOZJJQNGSA-N 1 0 316.492 2.279 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)sc1Cl ZINC000723895319 777202517 /nfs/dbraw/zinc/20/25/17/777202517.db2.gz MYOUHHKYPZSGBX-NXEZZACHSA-N 1 0 322.883 2.315 10 0 DEAERO CC[C@H]([NH2+]Cc1c(Br)cnn1C)[C@@H]1CCCOC1 ZINC000724007671 777219738 /nfs/dbraw/zinc/21/97/38/777219738.db2.gz KAMASRYQHHXXRP-PWSUYJOCSA-N 1 0 316.243 2.477 10 0 DEAERO [NH3+]CCCN(C[C@H]1CC[C@H](C(F)(F)F)O1)CC(F)(F)F ZINC000721482150 777231776 /nfs/dbraw/zinc/23/17/76/777231776.db2.gz YMBAIMSUBJELSF-RKDXNWHRSA-N 1 0 308.266 2.309 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000724106143 777242093 /nfs/dbraw/zinc/24/20/93/777242093.db2.gz XHZZCENPNFBWLC-ZIAGYGMSSA-N 1 0 312.454 2.432 10 0 DEAERO CO[C@@]1(C)CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724110696 777242429 /nfs/dbraw/zinc/24/24/29/777242429.db2.gz ISVMYDBXWSGPSO-UWVGGRQHSA-N 1 0 305.287 2.436 10 0 DEAERO Cc1nc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cs1 ZINC000724343568 777279329 /nfs/dbraw/zinc/27/93/29/777279329.db2.gz NRIPNILDPISUEM-QGFIPJAISA-N 1 0 300.449 2.210 10 0 DEAERO FC(F)c1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)ncn1 ZINC000724635837 777416959 /nfs/dbraw/zinc/41/69/59/777416959.db2.gz PFDILYKSBCQZHN-KOLCDFICSA-N 1 0 300.378 2.406 10 0 DEAERO CC(C)[C@H]1C[C@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CCO1 ZINC000724645172 777426426 /nfs/dbraw/zinc/42/64/26/777426426.db2.gz FNDSVEKQZKTDPU-MGPQQGTHSA-N 1 0 314.426 2.331 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000725113314 777587697 /nfs/dbraw/zinc/58/76/97/777587697.db2.gz JYTNRAMWYPNYKU-JQWIXIFHSA-N 1 0 302.465 2.031 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000725116419 777587891 /nfs/dbraw/zinc/58/78/91/777587891.db2.gz GFDQSIUAJLYIPX-XQQFMLRXSA-N 1 0 314.476 2.113 10 0 DEAERO Cc1csc(C)c1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000725115447 777589340 /nfs/dbraw/zinc/58/93/40/777589340.db2.gz UBMDVFPAPCJSHK-JOYOIKCWSA-N 1 0 302.465 2.113 10 0 DEAERO CC(C)(C)[C@H]1C[C@H]([NH2+]CC(=O)NCc2ccccc2)CCO1 ZINC000721595033 777601008 /nfs/dbraw/zinc/60/10/08/777601008.db2.gz RYWXCMMDHWERQK-HZPDHXFCSA-N 1 0 304.434 2.486 10 0 DEAERO CC[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000722236737 778511553 /nfs/dbraw/zinc/51/15/53/778511553.db2.gz YVFAYDFHTMINJB-UONOGXRCSA-N 1 0 316.854 2.463 10 0 DEAERO C[C@@H]1CN(C)C[C@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000722268295 778555737 /nfs/dbraw/zinc/55/57/37/778555737.db2.gz XIDDNMWUGVDJLL-XSCHDIRWSA-N 1 0 311.470 2.362 10 0 DEAERO CC(C)[C@@H](Cn1cccn1)[NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000722500918 778743023 /nfs/dbraw/zinc/74/30/23/778743023.db2.gz FREHXODLFKEGEV-ZIAGYGMSSA-N 1 0 324.425 2.048 10 0 DEAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@]2(OC)CCS(=O)(=O)C2)CC1 ZINC000721252963 780555519 /nfs/dbraw/zinc/55/55/19/780555519.db2.gz BWISDRGQLNOKKW-QLFBSQMISA-N 1 0 303.468 2.139 10 0 DEAERO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000721891688 781578188 /nfs/dbraw/zinc/57/81/88/781578188.db2.gz WOIYOWRXYWZMKU-IAQYHMDHSA-N 1 0 322.453 2.382 10 0 DEAERO CCc1nnc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)s1 ZINC000185715757 784294301 /nfs/dbraw/zinc/29/43/01/784294301.db2.gz RTOKYDLFEVKJDZ-LLVKDONJSA-N 1 0 311.455 2.487 10 0 DEAERO Cc1ncc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1C ZINC000721864249 787323775 /nfs/dbraw/zinc/32/37/75/787323775.db2.gz WXVNFHUPHQGBEN-BXUZGUMPSA-N 1 0 308.426 2.074 10 0 DEAERO Cc1noc(CC[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000724026896 787347152 /nfs/dbraw/zinc/34/71/52/787347152.db2.gz IFLWEVGWMZDZLC-CHWSQXEVSA-N 1 0 324.425 2.204 10 0 DEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CC[C@H](O)C(F)F)C1 ZINC000724082477 787349497 /nfs/dbraw/zinc/34/94/97/787349497.db2.gz NQUYDNIKSXOOSH-WOPDTQHZSA-N 1 0 322.396 2.286 10 0 DEAERO CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)C(C)(C)O1 ZINC000724312996 787350879 /nfs/dbraw/zinc/35/08/79/787350879.db2.gz PRWRRJWDUJOBQQ-PSEXLTFBSA-N 1 0 301.452 2.030 10 0 DEAERO CO[C@H]([C@H](C)[NH2+]Cc1cn(C)nc1Br)C1CC1 ZINC000712395749 792185981 /nfs/dbraw/zinc/18/59/81/792185981.db2.gz CIEQMILZCPDDFR-GZMMTYOYSA-N 1 0 302.216 2.086 10 0 DEAERO C[C@H]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2Br)O1 ZINC000712460418 792188436 /nfs/dbraw/zinc/18/84/36/792188436.db2.gz UAWMJKIUWMSDOY-ONGXEEELSA-N 1 0 302.216 2.230 10 0 DEAERO Cn1cc(C[NH2+][C@H](CO)CC(C)(C)C)c(Br)n1 ZINC000712490700 792190311 /nfs/dbraw/zinc/19/03/11/792190311.db2.gz IZRLJPNLOCADGR-JTQLQIEISA-N 1 0 304.232 2.069 10 0 DEAERO Cc1cc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)sc1Cl ZINC000712505034 792190432 /nfs/dbraw/zinc/19/04/32/792190432.db2.gz AOXAWVRTOWSRDP-UHFFFAOYSA-N 1 0 322.883 2.473 10 0 DEAERO CC(C)OC[C@H](O)C[NH2+]CCc1sccc1Br ZINC000713011919 792211608 /nfs/dbraw/zinc/21/16/08/792211608.db2.gz APGLVRQFCSYTCF-SNVBAGLBSA-N 1 0 322.268 2.429 10 0 DEAERO CC1(C)CC[C@H](CNC(=O)CC(F)(F)C(F)(F)F)[NH2+]C1 ZINC000713187851 792215465 /nfs/dbraw/zinc/21/54/65/792215465.db2.gz MNWGELBCVNNYAL-MRVPVSSYSA-N 1 0 302.287 2.469 10 0 DEAERO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cn(C)nc2Br)[C@H]1C ZINC000714089123 792284791 /nfs/dbraw/zinc/28/47/91/792284791.db2.gz SFWPZSNXYUVNLR-SCVCMEIPSA-N 1 0 315.259 2.130 10 0 DEAERO O=S1(=O)CCC[C@H]1CC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000714374027 792313314 /nfs/dbraw/zinc/31/33/14/792313314.db2.gz YOXUHBFVUFOMND-KGLIPLIRSA-N 1 0 301.452 2.035 10 0 DEAERO CCn1cc(CNC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nn1 ZINC000714904622 792357840 /nfs/dbraw/zinc/35/78/40/792357840.db2.gz DEHIOEFNXNKNSR-SFHVURJKSA-N 1 0 313.449 2.442 10 0 DEAERO C[C@@]1(C(=O)NCc2ncc(Br)s2)CCCC[NH2+]1 ZINC000714934998 792359582 /nfs/dbraw/zinc/35/95/82/792359582.db2.gz JKRRFHZUBZAWLU-NSHDSACASA-N 1 0 318.240 2.054 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C1(F)F ZINC000715131022 792377470 /nfs/dbraw/zinc/37/74/70/792377470.db2.gz BUJKAZJIVANUOG-GMSGAONNSA-N 1 0 309.143 2.450 10 0 DEAERO [NH3+]C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2c2nccs2)C1(F)F ZINC000715134546 792407119 /nfs/dbraw/zinc/40/71/19/792407119.db2.gz WUHQRGIYMJSTND-KXUCPTDWSA-N 1 0 301.362 2.037 10 0 DEAERO Cc1ccc(Br)cc1C(=O)NC12CC[NH+](CC1)C2 ZINC000715499972 792470173 /nfs/dbraw/zinc/47/01/73/792470173.db2.gz DEGPGIMJKJDKRY-UHFFFAOYSA-N 1 0 309.207 2.336 10 0 DEAERO C[C@H](NS(=O)(=O)c1cccc(Cl)c1F)C1CC[NH2+]CC1 ZINC000716564545 792974274 /nfs/dbraw/zinc/97/42/74/792974274.db2.gz HGTMUUIUTSHGMQ-VIFPVBQESA-N 1 0 320.817 2.146 10 0 DEAERO C[C@@H](NC(=O)c1occc1Br)C1CC[NH2+]CC1 ZINC000716568817 792974505 /nfs/dbraw/zinc/97/45/05/792974505.db2.gz YYLHELGRFKIKBF-MRVPVSSYSA-N 1 0 301.184 2.160 10 0 DEAERO C[C@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)N(C)C ZINC000716730985 793002751 /nfs/dbraw/zinc/00/27/51/793002751.db2.gz ISZBEAOAQIDOOZ-OWLYRPNTSA-N 1 0 315.461 2.106 10 0 DEAERO C[C@@H]1CC[C@H]([NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)C1 ZINC000246199998 798144786 /nfs/dbraw/zinc/14/47/86/798144786.db2.gz ONULWSBNVQJHSB-WHCBVINPSA-N 1 0 301.390 2.019 10 0 DEAERO COCc1nc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cs1 ZINC000717029257 798945739 /nfs/dbraw/zinc/94/57/39/798945739.db2.gz AHDFLCCTQXOGNV-UWVGGRQHSA-N 1 0 309.357 2.001 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)[C@H](C)C[NH2+]1 ZINC000212554494 799236188 /nfs/dbraw/zinc/23/61/88/799236188.db2.gz KKXUUNSXJOKVHL-PKJDGDQJSA-N 1 0 314.838 2.323 10 0 DEAERO C[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000717398331 799395434 /nfs/dbraw/zinc/39/54/34/799395434.db2.gz UJLMRQBUCFTPPQ-WCBMZHEXSA-N 1 0 300.271 2.032 10 0 DEAERO C[C@H]1C[C@@H]([NH2+]CCN2CCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401719637 801844752 /nfs/dbraw/zinc/84/47/52/801844752.db2.gz MVVJIWABFBIGBD-LSDHHAIUSA-N 1 0 311.470 2.317 10 0 DEAERO C/C=C\C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404242474 802012872 /nfs/dbraw/zinc/01/28/72/802012872.db2.gz XZYSINQTXSNGRG-RELMXNIOSA-N 1 0 300.402 2.064 10 0 DEAERO CCn1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)nn1 ZINC000404432530 802020044 /nfs/dbraw/zinc/02/00/44/802020044.db2.gz OECXKLZYSASEBW-OCCSQVGLSA-N 1 0 323.441 2.033 10 0 DEAERO Cc1cc(NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc[nH+]1 ZINC000185984987 802029761 /nfs/dbraw/zinc/02/97/61/802029761.db2.gz SQABBLHBBFNEIL-QGZVFWFLSA-N 1 0 310.357 2.057 10 0 DEAERO C[C@@H](CCC1CC1)[NH2+]Cc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000186305556 802040073 /nfs/dbraw/zinc/04/00/73/802040073.db2.gz LKGSULWTKZJRQB-SGTLLEGYSA-N 1 0 315.417 2.410 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccnc(OCC2CC2)c1 ZINC000067335716 1079886546 /nfs/dbraw/zinc/88/65/46/1079886546.db2.gz WQGMCZVQVMBSNH-MRXNPFEDSA-N 1 0 317.433 2.361 10 0 DEAERO c1ncn(-c2ccc(C[NH2+]CCc3cn4ccccc4n3)cc2)n1 ZINC000075759811 1080252031 /nfs/dbraw/zinc/25/20/31/1080252031.db2.gz GWTXUOXKHPDXBP-UHFFFAOYSA-N 1 0 318.384 2.247 10 0 DEAERO c1ccc(C[NH+]2CCN(CCC[NH2+]Cc3cccnc3)CC2)cc1 ZINC000075778754 1080253433 /nfs/dbraw/zinc/25/34/33/1080253433.db2.gz PNPSNOWLDWVGCO-UHFFFAOYSA-N 1 0 324.472 2.379 10 0 DEAERO C[C@H]1CCN(S(=O)(=O)CCC(C)(C)C2CC2)C[C@H]1C[NH3+] ZINC000717976408 1081854793 /nfs/dbraw/zinc/85/47/93/1081854793.db2.gz OJHIQKJTMLSRJL-QWHCGFSZSA-N 1 0 302.484 2.059 10 0 DEAERO C[C@H](NS(=O)(=O)CCC(C)(C)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000717980859 1081854999 /nfs/dbraw/zinc/85/49/99/1081854999.db2.gz BETCKNOJLDGILP-QWHCGFSZSA-N 1 0 302.484 2.120 10 0 DEAERO CC(C)(CCS(=O)(=O)N1CCC(CC[NH3+])CC1)C1CC1 ZINC000717981708 1081855040 /nfs/dbraw/zinc/85/50/40/1081855040.db2.gz HICKFNVUMOCMEM-UHFFFAOYSA-N 1 0 302.484 2.203 10 0 DEAERO CC(C)(CCS(=O)(=O)NCC1(C)CC[NH2+]CC1)C1CC1 ZINC000717980878 1081855323 /nfs/dbraw/zinc/85/53/23/1081855323.db2.gz BJXJSRGBCRJENN-UHFFFAOYSA-N 1 0 302.484 2.122 10 0 DEAERO COC(C)(C)C[C@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000720644464 1085807937 /nfs/dbraw/zinc/80/79/37/1085807937.db2.gz CGMXMGSURZWBQB-VIFPVBQESA-N 1 0 304.232 2.476 10 0 DEAERO Cn1cc(C[NH2+]C[C@H](O)CC2CCCC2)c(Br)n1 ZINC000720674093 1085845332 /nfs/dbraw/zinc/84/53/32/1085845332.db2.gz JMURBRHTIJQGJT-GFCCVEGCSA-N 1 0 316.243 2.213 10 0 DEAERO Cn1cc(C[NH2+]C[C@@](C)(O)c2ccccc2)c(Br)n1 ZINC000720688654 1085940111 /nfs/dbraw/zinc/94/01/11/1085940111.db2.gz PPVNSDWFSFFNCB-CQSZACIVSA-N 1 0 324.222 2.180 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccnn1C ZINC000700736610 1086331866 /nfs/dbraw/zinc/33/18/66/1086331866.db2.gz ARVXEOFYPNJVGV-FRRDWIJNSA-N 1 0 308.426 2.469 10 0 DEAERO Cc1cnn(C)c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000700755839 1086332275 /nfs/dbraw/zinc/33/22/75/1086332275.db2.gz DGHWQCKFWKYIQC-OLZOCXBDSA-N 1 0 308.426 2.216 10 0 DEAERO [NH3+]C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1C(F)(F)F ZINC000700806833 1086335575 /nfs/dbraw/zinc/33/55/75/1086335575.db2.gz GXHMLXMKBJTTJG-HTQZYQBOSA-N 1 0 300.271 2.017 10 0 DEAERO C[C@H]1COCC[C@H]1[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701932727 1086394479 /nfs/dbraw/zinc/39/44/79/1086394479.db2.gz XHHFASBPZCNSIJ-XCCIUEIHSA-N 1 0 310.438 2.401 10 0 DEAERO C[NH+](C)C[C@H](N)c1nc(-c2ccccc2Br)no1 ZINC000702197707 1086415241 /nfs/dbraw/zinc/41/52/41/1086415241.db2.gz BVPNVCQZTMSTLV-JTQLQIEISA-N 1 0 311.183 2.061 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc([C@H]2CCCOC2)no1 ZINC000702210908 1086415337 /nfs/dbraw/zinc/41/53/37/1086415337.db2.gz ZDBGVQSZFWPPHV-GJZGRUSLSA-N 1 0 316.405 2.095 10 0 DEAERO C[N@@H+]1C[C@@H]2CN(Cc3ccc(Br)cn3)C[C@]2(C)C1 ZINC000702411035 1086432210 /nfs/dbraw/zinc/43/22/10/1086432210.db2.gz GHEXBRLPSLHPTI-RISCZKNCSA-N 1 0 310.239 2.228 10 0 DEAERO CC1(O)CCC([NH2+]C2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000702987973 1086475077 /nfs/dbraw/zinc/47/50/77/1086475077.db2.gz IAHRBAAXLCZOGW-UHFFFAOYSA-N 1 0 318.417 2.291 10 0 DEAERO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000703316066 1086494291 /nfs/dbraw/zinc/49/42/91/1086494291.db2.gz XEPNHBOVQCESKS-OCCSQVGLSA-N 1 0 307.394 2.153 10 0 DEAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccccc1Br)C2 ZINC000703561778 1086524712 /nfs/dbraw/zinc/52/47/12/1086524712.db2.gz MHSIVVGHIAOYHS-IINYFYTJSA-N 1 0 309.207 2.131 10 0 DEAERO OCC[NH2+][C@@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000708564621 1086681405 /nfs/dbraw/zinc/68/14/05/1086681405.db2.gz ITFOBIOQYRWFKN-SNVBAGLBSA-N 1 0 319.268 2.057 10 0 DEAERO Brc1ccc2oc(N3C[C@H]4C[NH2+]C[C@@H]4C3)nc2c1 ZINC000705931570 1086626757 /nfs/dbraw/zinc/62/67/57/1086626757.db2.gz SNOAFJLVZBGITI-RKDXNWHRSA-N 1 0 308.179 2.246 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)C12CCC2 ZINC000707495123 1086674317 /nfs/dbraw/zinc/67/43/17/1086674317.db2.gz RVCBUBSWRYBFMA-CRWXNKLISA-N 1 0 310.438 2.183 10 0 DEAERO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709437847 1086682955 /nfs/dbraw/zinc/68/29/55/1086682955.db2.gz AZOJHKKULINDKA-SEBNEYGDSA-N 1 0 310.438 2.399 10 0 DEAERO CN(CCCCCC[NH3+])S(=O)(=O)c1ccc(F)c(F)c1 ZINC000710692220 1086688403 /nfs/dbraw/zinc/68/84/03/1086688403.db2.gz CMTYWDWVHMZOTN-UHFFFAOYSA-N 1 0 306.378 2.104 10 0 DEAERO COc1cc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000710910381 1086690368 /nfs/dbraw/zinc/69/03/68/1086690368.db2.gz CXDXFDVMOKOHRL-UHFFFAOYSA-N 1 0 307.394 2.047 10 0 DEAERO CC[C@H](C[NH2+][C@@H]1CCC1(OC)OC)NC(=O)OC(C)(C)C ZINC000710959140 1086691167 /nfs/dbraw/zinc/69/11/67/1086691167.db2.gz KXFVLOGWJKXYDQ-VXGBXAGGSA-N 1 0 302.415 2.031 10 0 DEAERO C[C@@H]1COC[C@H]1[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000710985884 1086692361 /nfs/dbraw/zinc/69/23/61/1086692361.db2.gz ZPFGPZTWIFXOHI-GBIKHYSHSA-N 1 0 320.216 2.358 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000710990541 1086692612 /nfs/dbraw/zinc/69/26/12/1086692612.db2.gz UFKDTDANTGKFSX-LBPRGKRZSA-N 1 0 316.442 2.421 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@]23CCC[C@H]2C[NH2+]C3)sc1Cl ZINC000711357066 1087072723 /nfs/dbraw/zinc/07/27/23/1087072723.db2.gz JXPSFSIPFUEZQV-CABZTGNLSA-N 1 0 320.867 2.130 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CC2(CO)CCCC2)C1 ZINC000711438407 1087106428 /nfs/dbraw/zinc/10/64/28/1087106428.db2.gz CUCSHYYTIDIIEA-OKILXGFUSA-N 1 0 312.454 2.432 10 0 DEAERO CCCN1CC[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711484885 1087134904 /nfs/dbraw/zinc/13/49/04/1087134904.db2.gz NUMDSFVXSQMHDH-SOUVJXGZSA-N 1 0 311.470 2.364 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)sc1Cl ZINC000711622334 1087176898 /nfs/dbraw/zinc/17/68/98/1087176898.db2.gz JANKZIWKBKQUSZ-JOYOIKCWSA-N 1 0 320.867 2.273 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cnccn3)CCC[C@@H]12 ZINC000711641649 1087184720 /nfs/dbraw/zinc/18/47/20/1087184720.db2.gz UHGLASDBAKOPMU-PBHICJAKSA-N 1 0 318.421 2.498 10 0 DEAERO Cc1nc(C[NH2+]CC2([S@](C)=O)CC2)sc1Br ZINC000719241945 1088913019 /nfs/dbraw/zinc/91/30/19/1088913019.db2.gz VLVRHWWQPZNNNN-INIZCTEOSA-N 1 0 323.281 2.215 10 0 DEAERO Cc1nc(CN2CC[NH2+][C@H](C)[C@@H]2C)sc1Br ZINC000719274367 1088918195 /nfs/dbraw/zinc/91/81/95/1088918195.db2.gz WIQBMXHUMJIZGO-APPZFPTMSA-N 1 0 304.257 2.396 10 0 DEAERO CO[C@@]1(C[NH2+]Cc2ccc(Br)cn2)CCSC1 ZINC000719316264 1088935928 /nfs/dbraw/zinc/93/59/28/1088935928.db2.gz MWMQMSGDHQMWSK-GFCCVEGCSA-N 1 0 317.252 2.456 10 0 DEAERO CO[C@]1(C[NH2+]C[C@H](O)c2c(F)cccc2F)CCSC1 ZINC000719323614 1088953627 /nfs/dbraw/zinc/95/36/27/1088953627.db2.gz KUAULRBHWFNBLA-JSGCOSHPSA-N 1 0 303.374 2.110 10 0 DEAERO Clc1cnc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)s1 ZINC000719386267 1089056550 /nfs/dbraw/zinc/05/65/50/1089056550.db2.gz RWSVMTUGLMJIPC-ZJUUUORDSA-N 1 0 303.884 2.466 10 0 DEAERO C[C@H](CC(=O)NCc1ncc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000719403113 1089129645 /nfs/dbraw/zinc/12/96/45/1089129645.db2.gz WJUAAMLEYKRNMV-ZJUUUORDSA-N 1 0 301.843 2.439 10 0 DEAERO C([NH2+][C@H]1CCCN2CCSC[C@H]12)c1nc2c(s1)CCC2 ZINC000719530665 1089287074 /nfs/dbraw/zinc/28/70/74/1089287074.db2.gz NVCJRGXDFOQQNP-WCQYABFASA-N 1 0 309.504 2.301 10 0 DEAERO C[C@H]1[C@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CCN1C ZINC000719583446 1089314151 /nfs/dbraw/zinc/31/41/51/1089314151.db2.gz PYCCGMDXKWFILU-DZGCQCFKSA-N 1 0 311.470 2.316 10 0 DEAERO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1cnn(C)c1 ZINC000724024390 1143896408 /nfs/dbraw/zinc/89/64/08/1143896408.db2.gz PYIHBYINKRSOMZ-IONNQARKSA-N 1 0 301.259 2.019 10 0 DEAERO Brc1ccc(Cc2noc(CC3C[NH2+]C3)n2)cc1 ZINC000081767568 192321663 /nfs/dbraw/zinc/32/16/63/192321663.db2.gz WBAOQCLJBPXEEN-UHFFFAOYSA-N 1 0 308.179 2.185 10 0 DEAERO C[NH2+][C@@H](CSCCS(C)(=O)=O)c1cc(C)ccc1OC ZINC000081768992 192322297 /nfs/dbraw/zinc/32/22/97/192322297.db2.gz GOOAWVTZWYPIDD-ZDUSSCGKSA-N 1 0 317.476 2.042 10 0 DEAERO COc1ccccc1[C@@H]([NH3+])CSc1nnc(N(C)C)s1 ZINC000081769296 192323124 /nfs/dbraw/zinc/32/31/24/192323124.db2.gz HXUGOVYMODVZHR-JTQLQIEISA-N 1 0 310.448 2.405 10 0 DEAERO CC[NH2+][C@H]1c2ccccc2CC[C@H]1SCCS(C)(=O)=O ZINC000081768889 192323543 /nfs/dbraw/zinc/32/35/43/192323543.db2.gz KWPFSCMEIFBMJX-CABCVRRESA-N 1 0 313.488 2.430 10 0 DEAERO C[NH2+][C@@H]1CCC2(C[C@H]1Sc1nc(C)cs1)OCCO2 ZINC000081870546 192333031 /nfs/dbraw/zinc/33/30/31/192333031.db2.gz PVDPTCFWQHUIKV-GHMZBOCLSA-N 1 0 300.449 2.427 10 0 DEAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1Sc1n[nH]c(=O)n1CC ZINC000081879825 192334582 /nfs/dbraw/zinc/33/45/82/192334582.db2.gz KSQFIVIWRIOXHT-XQQFMLRXSA-N 1 0 312.483 2.486 10 0 DEAERO [NH3+]Cc1ccc(CS(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000162590372 197577225 /nfs/dbraw/zinc/57/72/25/197577225.db2.gz DBUNFBSCEBCTGL-HOTGVXAUSA-N 1 0 308.447 2.240 10 0 DEAERO CC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000081919963 192338849 /nfs/dbraw/zinc/33/88/49/192338849.db2.gz ORKXAXYGJMLHSC-HZPDHXFCSA-N 1 0 311.447 2.351 10 0 DEAERO Cc1sc2[nH]c(CN3CCC([NH+](C)C)CC3)nc(=O)c2c1C ZINC000162508677 197570966 /nfs/dbraw/zinc/57/09/66/197570966.db2.gz JBVZNJLDKVAEFK-UHFFFAOYSA-N 1 0 320.462 2.127 10 0 DEAERO CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000081921891 192339294 /nfs/dbraw/zinc/33/92/94/192339294.db2.gz YHSCOZLAEXEZIV-JKSUJKDBSA-N 1 0 311.447 2.234 10 0 DEAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1S(=O)(=O)CC(C)C ZINC000081928364 192339563 /nfs/dbraw/zinc/33/95/63/192339563.db2.gz PCWDPTSBIWXMLR-CVEARBPZSA-N 1 0 311.447 2.341 10 0 DEAERO CC[NH2+][C@@H]1CCN(c2ccc(F)c(Br)c2)C1=O ZINC000164196595 197652424 /nfs/dbraw/zinc/65/24/24/197652424.db2.gz CCPZKBXBEVDAIF-LLVKDONJSA-N 1 0 301.159 2.303 10 0 DEAERO C[C@@H]1CC[C@@H](NC(=O)c2c(F)c(F)c(F)c(F)c2F)C[NH2+]1 ZINC000164595798 197657787 /nfs/dbraw/zinc/65/77/87/197657787.db2.gz HCBMURMAQNHMCJ-PHDIDXHHSA-N 1 0 308.250 2.252 10 0 DEAERO CCOC(=O)CN(C(=O)CC[C@H](CC[NH3+])C(C)C)C(C)C ZINC000079277351 185163024 /nfs/dbraw/zinc/16/30/24/185163024.db2.gz RMVBAEANWKBXLX-CQSZACIVSA-N 1 0 300.443 2.188 10 0 DEAERO C[NH2+][C@](C)(CCCCSc1ccc(Cl)cn1)C(N)=O ZINC000079448187 185172339 /nfs/dbraw/zinc/17/23/39/185172339.db2.gz QUPUDMWRXRGSBL-CYBMUJFWSA-N 1 0 301.843 2.461 10 0 DEAERO C[C@H](C[C@](C)(O)C[NH3+])Sc1ccc(Br)cn1 ZINC000082917618 185209480 /nfs/dbraw/zinc/20/94/80/185209480.db2.gz MAPKBHADJRNXOR-KCJUWKMLSA-N 1 0 305.241 2.425 10 0 DEAERO Cc1noc(C)c1C[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328644014 231282965 /nfs/dbraw/zinc/28/29/65/231282965.db2.gz RNHRURMTQPPIHH-RDJZCZTQSA-N 1 0 300.406 2.469 10 0 DEAERO COc1cc(C(=O)[C@@H]2CCC[NH2+]2)c(OC)cc1Br ZINC000083255764 185221563 /nfs/dbraw/zinc/22/15/63/185221563.db2.gz WFZRFCSIRNCCIG-JTQLQIEISA-N 1 0 314.179 2.401 10 0 DEAERO CC(C)c1ccc([C@@H](C[NH3+])[C@H](O)C(C)(C)S(C)(=O)=O)cc1 ZINC000087381966 185223000 /nfs/dbraw/zinc/22/30/00/185223000.db2.gz SLGCRNQOUJOGAH-CABCVRRESA-N 1 0 313.463 2.036 10 0 DEAERO CCC[C@H](C[NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000087532948 185227726 /nfs/dbraw/zinc/22/77/26/185227726.db2.gz NOSJQGBXGSGGBB-SECBINFHSA-N 1 0 310.419 2.337 10 0 DEAERO C[NH2+][C@@H](c1sccc1Br)[C@@H]1CN(C)CCO1 ZINC000087570434 185228529 /nfs/dbraw/zinc/22/85/29/185228529.db2.gz OGMYJSWQZUFBHT-VHSXEESVSA-N 1 0 305.241 2.102 10 0 DEAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2sccc2Br)C1 ZINC000087575768 185228533 /nfs/dbraw/zinc/22/85/33/185228533.db2.gz VWWGZTJKKKLLLS-JGVFFNPUSA-N 1 0 303.225 2.254 10 0 DEAERO C[NH2+][C@H]1CCCN(Cc2sccc2Br)C1=O ZINC000087579801 185229013 /nfs/dbraw/zinc/22/90/13/185229013.db2.gz OAVSQKINNYUNMX-VIFPVBQESA-N 1 0 303.225 2.221 10 0 DEAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000087683468 185230438 /nfs/dbraw/zinc/23/04/38/185230438.db2.gz LQQKIBWXKWROIX-NWDGAFQWSA-N 1 0 312.435 2.182 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCCNC(=O)C1 ZINC000087883144 185234535 /nfs/dbraw/zinc/23/45/35/185234535.db2.gz XJHNHKNRUCPDPZ-NOZJJQNGSA-N 1 0 301.843 2.002 10 0 DEAERO CCN(C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173525326 282191540 /nfs/dbraw/zinc/19/15/40/282191540.db2.gz MLQDKDWIIRHWCG-NVXWUHKLSA-N 1 0 303.450 2.454 10 0 DEAERO O[C@@H]1CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1nc2cccnc2s1 ZINC000328806960 231353637 /nfs/dbraw/zinc/35/36/37/231353637.db2.gz MBYXOPPWDJBAMY-FPMFFAJLSA-N 1 0 319.430 2.053 10 0 DEAERO C[C@H](C[NH3+])CC(=O)Nc1ccc(I)cc1 ZINC000087983142 185237594 /nfs/dbraw/zinc/23/75/94/185237594.db2.gz IFECSQRAUSWZQP-QMMMGPOBSA-N 1 0 318.158 2.215 10 0 DEAERO C[C@H]([NH3+])CCS(=O)(=O)Cc1cc(Br)cs1 ZINC000088077514 185238938 /nfs/dbraw/zinc/23/89/38/185238938.db2.gz BCJRYUQPSDCHSO-ZETCQYMHSA-N 1 0 312.254 2.163 10 0 DEAERO Cc1nc(C[NH3+])sc1-c1nnc2ccc(Br)cn21 ZINC000087846919 185233390 /nfs/dbraw/zinc/23/33/90/185233390.db2.gz VZNBKNLWFOLVMM-UHFFFAOYSA-N 1 0 324.207 2.382 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Br)cc1F)[C@H]1COCCO1 ZINC000087857558 185233551 /nfs/dbraw/zinc/23/35/51/185233551.db2.gz DJGBLSOTWDTMOV-CHWSQXEVSA-N 1 0 318.186 2.134 10 0 DEAERO C[C@H](Nc1nc(NN)[nH+]cc1Br)c1cccnc1 ZINC000087853512 185233595 /nfs/dbraw/zinc/23/35/95/185233595.db2.gz BFWWGNIOHDHJQV-ZETCQYMHSA-N 1 0 309.171 2.093 10 0 DEAERO C[NH2+][C@@H](Cc1ccc(F)cc1Br)[C@H]1COCCO1 ZINC000087857505 185233616 /nfs/dbraw/zinc/23/36/16/185233616.db2.gz SJOPXUJUWACORQ-QWHCGFSZSA-N 1 0 318.186 2.134 10 0 DEAERO CN(Cc1csc(Br)c1)c1cc[nH+]c(NN)n1 ZINC000087866194 185233924 /nfs/dbraw/zinc/23/39/24/185233924.db2.gz PCJCEAUENCJACM-UHFFFAOYSA-N 1 0 314.212 2.223 10 0 DEAERO CC[NH2+][C@@H](Cc1cccc(Br)c1)[C@H]1COCCO1 ZINC000087857868 185233978 /nfs/dbraw/zinc/23/39/78/185233978.db2.gz VZIBXPFZYZSIAA-UONOGXRCSA-N 1 0 314.223 2.385 10 0 DEAERO CCCCS(=O)(=O)C[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000081973540 192348131 /nfs/dbraw/zinc/34/81/31/192348131.db2.gz ABYRKLMYQDKHPV-CYBMUJFWSA-N 1 0 315.435 2.179 10 0 DEAERO CC[NH2+][C@@H]1CCCc2c(OCCCS(C)(=O)=O)cccc21 ZINC000088151940 185240719 /nfs/dbraw/zinc/24/07/19/185240719.db2.gz SNONPKXHVYISCX-OAHLLOKOSA-N 1 0 311.447 2.487 10 0 DEAERO c1ncn([C@H]2CCCN(Cc3nc4cccnc4s3)C2)n1 ZINC000328885324 231375958 /nfs/dbraw/zinc/37/59/58/231375958.db2.gz OHKKRIATKAYZLZ-NSHDSACASA-N 1 0 300.391 2.120 10 0 DEAERO C[NH2+][C@H]1CCCN(c2ccc(OC)c(Br)c2)C1=O ZINC000088330729 185245886 /nfs/dbraw/zinc/24/58/86/185245886.db2.gz VRTQEEZAPCLQHR-NSHDSACASA-N 1 0 313.195 2.173 10 0 DEAERO Cc1nn(C)c(C)c1Oc1nc2sccn2c1C[C@H](C)[NH3+] ZINC000088454075 185251674 /nfs/dbraw/zinc/25/16/74/185251674.db2.gz XSLHXHNBTRPRRK-QMMMGPOBSA-N 1 0 305.407 2.428 10 0 DEAERO C[N@H+](CCC(F)(F)F)C[C@@H](O)c1ccc(C(N)=S)cc1 ZINC000088420465 185249393 /nfs/dbraw/zinc/24/93/93/185249393.db2.gz BDGVCPDYKLPJKR-LLVKDONJSA-N 1 0 306.353 2.238 10 0 DEAERO CN[C@@](C)(C[C@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000088435529 185250420 /nfs/dbraw/zinc/25/04/20/185250420.db2.gz YUYXQXOFVMFROW-GWCFXTLKSA-N 1 0 310.360 2.190 10 0 DEAERO CNS(=O)(=O)c1ccc(C[NH2+]C2CCCCCCC2)o1 ZINC000088539764 185255253 /nfs/dbraw/zinc/25/52/53/185255253.db2.gz GNMDYHBFLNPODU-UHFFFAOYSA-N 1 0 300.424 2.390 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)o1 ZINC000088542083 185256287 /nfs/dbraw/zinc/25/62/87/185256287.db2.gz HTKTWBBMLBGTTA-AAEUAGOBSA-N 1 0 300.424 2.246 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C)o1 ZINC000088544340 185256646 /nfs/dbraw/zinc/25/66/46/185256646.db2.gz VAVSBWUVWFTUCE-UHFFFAOYSA-N 1 0 302.440 2.446 10 0 DEAERO COCCCS(=O)(=O)C[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000081985922 192349155 /nfs/dbraw/zinc/34/91/55/192349155.db2.gz WPEXZDPHDJGXLT-OAHLLOKOSA-N 1 0 313.463 2.435 10 0 DEAERO Nc1c2ccccc2sc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000088638474 185260616 /nfs/dbraw/zinc/26/06/16/185260616.db2.gz LKXJCWSLKGEJBS-JTQLQIEISA-N 1 0 301.415 2.450 10 0 DEAERO Cc1ccc2c(N)c(C(=O)N[C@@H]3CCCC[C@@H]3[NH3+])sc2n1 ZINC000088641341 185261037 /nfs/dbraw/zinc/26/10/37/185261037.db2.gz JUMJZVLBFWEQCI-WDEREUQCSA-N 1 0 304.419 2.187 10 0 DEAERO Cc1ccc2c(N)c(C(=O)NCCCC[NH+](C)C)sc2n1 ZINC000088642688 185261337 /nfs/dbraw/zinc/26/13/37/185261337.db2.gz UCBVQGDTOGHBMJ-UHFFFAOYSA-N 1 0 306.435 2.259 10 0 DEAERO COc1cc(OC)c(-c2nnc(CCC[NH3+])s2)cc1OC ZINC000088809530 185266416 /nfs/dbraw/zinc/26/64/16/185266416.db2.gz VCVUDCNHAUHRIU-UHFFFAOYSA-N 1 0 309.391 2.122 10 0 DEAERO CCC[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccccc2C)C1 ZINC000088716886 185263230 /nfs/dbraw/zinc/26/32/30/185263230.db2.gz FFMRPZUQAUNGQO-OAHLLOKOSA-N 1 0 310.463 2.395 10 0 DEAERO COc1cccc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000090110382 185282736 /nfs/dbraw/zinc/28/27/36/185282736.db2.gz GDFWESHWSXXKNM-BETUJISGSA-N 1 0 324.396 2.063 10 0 DEAERO C[C@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1ccccc1Cl ZINC000090116849 185283159 /nfs/dbraw/zinc/28/31/59/185283159.db2.gz SNVIGDQQDZNVEI-LLVKDONJSA-N 1 0 311.813 2.240 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000333566029 282957272 /nfs/dbraw/zinc/95/72/72/282957272.db2.gz LYIAPAMORHXCCG-CUBALJKWSA-N 1 0 305.397 2.369 10 0 DEAERO COc1ccccc1[S@](=O)[C@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000081999990 192353104 /nfs/dbraw/zinc/35/31/04/192353104.db2.gz RXOKOHNSMRXOOK-CKJXQJPGSA-N 1 0 303.383 2.264 10 0 DEAERO OC[C@H](c1cc(Cl)ccc1Br)N1CC[NH2+]CC1 ZINC000090252637 185288244 /nfs/dbraw/zinc/28/82/44/185288244.db2.gz MYJUAHMVTCNIGX-GFCCVEGCSA-N 1 0 319.630 2.041 10 0 DEAERO CC(C)C[C@@](C)(O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000090270326 185288539 /nfs/dbraw/zinc/28/85/39/185288539.db2.gz HWVDTGMZWVAVBL-GDBMZVCRSA-N 1 0 311.447 2.292 10 0 DEAERO CN(CCC(=O)Nc1c(Cl)cccc1Cl)C1C[NH2+]C1 ZINC000090290236 185289472 /nfs/dbraw/zinc/28/94/72/185289472.db2.gz GHGCIYRNWUPRIC-UHFFFAOYSA-N 1 0 302.205 2.226 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N(CC)C1C[NH2+]C1 ZINC000090291048 185289579 /nfs/dbraw/zinc/28/95/79/185289579.db2.gz CXJXTGNQHMBCRZ-UHFFFAOYSA-N 1 0 314.227 2.095 10 0 DEAERO CCN(CC(=O)Nc1cc(Cl)ccc1Cl)C1C[NH2+]C1 ZINC000090291730 185289632 /nfs/dbraw/zinc/28/96/32/185289632.db2.gz VGCVDSSBSUIKNF-UHFFFAOYSA-N 1 0 302.205 2.226 10 0 DEAERO CCCN(C(=O)c1c(F)c(F)c(F)c(F)c1F)C1C[NH2+]C1 ZINC000090292841 185289764 /nfs/dbraw/zinc/28/97/64/185289764.db2.gz IEHYTLNEKBQCKI-UHFFFAOYSA-N 1 0 308.250 2.206 10 0 DEAERO C[C@H]([NH3+])CCSCC(=O)Nc1ccc(Br)cn1 ZINC000090346280 185292146 /nfs/dbraw/zinc/29/21/46/185292146.db2.gz XWSDWNSWQNZJLG-QMMMGPOBSA-N 1 0 318.240 2.253 10 0 DEAERO C[C@H](CC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1)[S@](C)=O ZINC000090515315 185300027 /nfs/dbraw/zinc/30/00/27/185300027.db2.gz UHJYWAAXOQPKCU-QLVMHMETSA-N 1 0 308.491 2.398 10 0 DEAERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000090379133 185293749 /nfs/dbraw/zinc/29/37/49/185293749.db2.gz VIFNGSBSLBGZCI-RCOVLWMOSA-N 1 0 308.687 2.271 10 0 DEAERO CN(Cc1cc(Br)cs1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606858 185306341 /nfs/dbraw/zinc/30/63/41/185306341.db2.gz USPSFWMTQXKCIR-NWDGAFQWSA-N 1 0 319.268 2.306 10 0 DEAERO CN(Cc1cc(Br)cs1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606857 185306408 /nfs/dbraw/zinc/30/64/08/185306408.db2.gz USPSFWMTQXKCIR-RYUDHWBXSA-N 1 0 319.268 2.306 10 0 DEAERO C[C@]1(c2nc(-c3ccccc3Br)no2)COC[C@H]1[NH3+] ZINC000090573562 185304450 /nfs/dbraw/zinc/30/44/50/185304450.db2.gz OJEOYUVIUKZKHG-MFKMUULPSA-N 1 0 324.178 2.114 10 0 DEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)NCCc1ccccc1 ZINC000090700228 185310603 /nfs/dbraw/zinc/31/06/03/185310603.db2.gz TXUIZKIGDKYKLW-MRXNPFEDSA-N 1 0 321.490 2.308 10 0 DEAERO [NH3+]C[C@H]1Cc2ccccc2CN1c1ncncc1Br ZINC000090782556 185311907 /nfs/dbraw/zinc/31/19/07/185311907.db2.gz DDYGUHXAKVXLQA-GFCCVEGCSA-N 1 0 319.206 2.129 10 0 DEAERO COCC[N@H+](CCC(N)=S)Cc1ccnc2ccccc12 ZINC000092347820 185313592 /nfs/dbraw/zinc/31/35/92/185313592.db2.gz VAQPHNCCRLWFAR-UHFFFAOYSA-N 1 0 303.431 2.359 10 0 DEAERO C[C@H](CO)[C@H](C)[NH2+]CCOc1cccc(Br)c1 ZINC000167087246 197703551 /nfs/dbraw/zinc/70/35/51/197703551.db2.gz LIUIZLONGSXKSJ-MNOVXSKESA-N 1 0 302.212 2.434 10 0 DEAERO Cn1nccc1C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000092533845 185324440 /nfs/dbraw/zinc/32/44/40/185324440.db2.gz NFVRXUIJVUNJRO-UHFFFAOYSA-N 1 0 324.428 2.221 10 0 DEAERO C[NH+](C)[C@H](CNC(=O)Nc1nncs1)c1ccc(F)cc1 ZINC000048039772 282243945 /nfs/dbraw/zinc/24/39/45/282243945.db2.gz PEJJVZYLZFHMPQ-LLVKDONJSA-N 1 0 309.370 2.102 10 0 DEAERO C[C@H](C[NH+]1CCCC1)n1c(N)nc2cc(Br)cnc21 ZINC000092575464 185326771 /nfs/dbraw/zinc/32/67/71/185326771.db2.gz HVLFVTFCQVYOGG-SECBINFHSA-N 1 0 324.226 2.433 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)c(C)s1 ZINC000092833290 185345042 /nfs/dbraw/zinc/34/50/42/185345042.db2.gz FCBABRWTYINDJT-UHFFFAOYSA-N 1 0 316.492 2.489 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](S(=O)(=O)CC1CCCC1)C2 ZINC000092859310 185346773 /nfs/dbraw/zinc/34/67/73/185346773.db2.gz YGXAHQSJHGNJRK-HOTGVXAUSA-N 1 0 309.431 2.225 10 0 DEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)CC(C)C ZINC000092859164 185346979 /nfs/dbraw/zinc/34/69/79/185346979.db2.gz XHOLFISYNAUKNT-HZPDHXFCSA-N 1 0 311.447 2.341 10 0 DEAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CC[C@H](C)C2)CC(=O)N1C ZINC000328871986 282266017 /nfs/dbraw/zinc/26/60/17/282266017.db2.gz YLGFLPCLNMCGEX-NBCLGQJJSA-N 1 0 304.438 2.087 10 0 DEAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000092953373 185350473 /nfs/dbraw/zinc/35/04/73/185350473.db2.gz UPBLCABWXJUTLS-ZYHUDNBSSA-N 1 0 304.781 2.462 10 0 DEAERO C[C@]1(C(=O)c2cc(Br)ccc2F)COC[C@@H]1[NH3+] ZINC000168486352 197723668 /nfs/dbraw/zinc/72/36/68/197723668.db2.gz ITYUYWWYJJARMQ-JQWIXIFHSA-N 1 0 302.143 2.135 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+]CC[C@H]2CCCO2)c2cc(F)ccc21 ZINC000038096088 539335821 /nfs/dbraw/zinc/33/58/21/539335821.db2.gz JZAHRYHFZGBOCV-OCCSQVGLSA-N 1 0 313.394 2.203 10 0 DEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000188005601 282295740 /nfs/dbraw/zinc/29/57/40/282295740.db2.gz KPGHFRBRYHXQRK-BDJLRTHQSA-N 1 0 312.360 2.386 10 0 DEAERO COc1cccc(NC(=O)C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)c1 ZINC000188003740 282295785 /nfs/dbraw/zinc/29/57/85/282295785.db2.gz GFIDVYFXPAEOOR-GUYCJALGSA-N 1 0 306.406 2.117 10 0 DEAERO C[C@@H](CNC(=O)c1cn2ccnc2s1)[NH+]1CCC(C)CC1 ZINC000188385183 282298824 /nfs/dbraw/zinc/29/88/24/282298824.db2.gz MKALXNZUVRFZHZ-LBPRGKRZSA-N 1 0 306.435 2.246 10 0 DEAERO C[NH+](C)CC[C@@H](NC(=O)c1cn2ccnc2s1)C(C)(C)C ZINC000188513505 282303446 /nfs/dbraw/zinc/30/34/46/282303446.db2.gz VJDPCKYJQSICKM-GFCCVEGCSA-N 1 0 308.451 2.492 10 0 DEAERO COC(=O)CC1(CC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000189552679 282312397 /nfs/dbraw/zinc/31/23/97/282312397.db2.gz CMFMGZBMCXNZBR-OKILXGFUSA-N 1 0 310.438 2.051 10 0 DEAERO CC(C)(C)OC(=O)[C@@H]1CCN(c2cc(N3CCCC3)ncn2)C1 ZINC000192331400 282342498 /nfs/dbraw/zinc/34/24/98/282342498.db2.gz PGFJPVBTZSPQDY-CYBMUJFWSA-N 1 0 318.421 2.245 10 0 DEAERO CC(C)(C)[NH+]1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000193441181 282351453 /nfs/dbraw/zinc/35/14/53/282351453.db2.gz JQCXIWOIUHGPHM-UHFFFAOYSA-N 1 0 301.390 2.125 10 0 DEAERO CCS(=O)(=O)N1CCC([NH2+][C@H]2CCC[C@H](C)CC2)CC1 ZINC000086880562 539404656 /nfs/dbraw/zinc/40/46/56/539404656.db2.gz YVDLNAYWYOJCNR-KBPBESRZSA-N 1 0 302.484 2.359 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000089453290 539410872 /nfs/dbraw/zinc/41/08/72/539410872.db2.gz ZTEAIZPVTXIQFH-ONGXEEELSA-N 1 0 305.403 2.044 10 0 DEAERO CCc1ccc(OCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000195039551 282366964 /nfs/dbraw/zinc/36/69/64/282366964.db2.gz XCFMPSSJZWEARQ-MRXNPFEDSA-N 1 0 302.418 2.325 10 0 DEAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)COC1(C)C[NH2+]C1 ZINC000098061131 539435974 /nfs/dbraw/zinc/43/59/74/539435974.db2.gz STMCUZKRRFXLFL-UHFFFAOYSA-N 1 0 317.216 2.330 10 0 DEAERO COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000245452577 282389538 /nfs/dbraw/zinc/38/95/38/282389538.db2.gz DRBPXTJZDFDKSM-RRFJBIMHSA-N 1 0 312.454 2.058 10 0 DEAERO c1ccc(NC[C@@H]2CC[N@@H+](CCO[C@@H]3CCCCO3)C2)nc1 ZINC000181712662 199343070 /nfs/dbraw/zinc/34/30/70/199343070.db2.gz ASCRIVCOWMTXMB-DOTOQJQBSA-N 1 0 305.422 2.359 10 0 DEAERO CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C12CCCC2 ZINC000245485157 282391469 /nfs/dbraw/zinc/39/14/69/282391469.db2.gz IVZXMJORLQNAQA-ARFHVFGLSA-N 1 0 321.465 2.214 10 0 DEAERO COC1(C[NH2+]Cc2cnc3c(cnn3C(C)C)c2)CCOCC1 ZINC000123064954 539463700 /nfs/dbraw/zinc/46/37/00/539463700.db2.gz LPOVCNMZRXXNBX-UHFFFAOYSA-N 1 0 318.421 2.297 10 0 DEAERO Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1CCC[NH3+] ZINC000111374170 185589854 /nfs/dbraw/zinc/58/98/54/185589854.db2.gz SWXUCMAMTDQDRA-ZDUSSCGKSA-N 1 0 300.399 2.026 10 0 DEAERO CN(Cc1cnn(C)c1)c1cc(Br)ccc1CC[NH3+] ZINC000111485422 185608525 /nfs/dbraw/zinc/60/85/25/185608525.db2.gz HIGPMCKXZQUSJB-UHFFFAOYSA-N 1 0 323.238 2.320 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1ccc(Br)o1 ZINC000136400716 539518066 /nfs/dbraw/zinc/51/80/66/539518066.db2.gz APOUGSDRTUIRDJ-SNVBAGLBSA-N 1 0 303.200 2.374 10 0 DEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000136300716 539517350 /nfs/dbraw/zinc/51/73/50/539517350.db2.gz BURBTSWDBVRKEO-OAHLLOKOSA-N 1 0 309.841 2.362 10 0 DEAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1c1ccc(S(C)(=O)=O)cc1 ZINC000111718301 185630280 /nfs/dbraw/zinc/63/02/80/185630280.db2.gz TUDDGPHMYZQEIX-BBRMVZONSA-N 1 0 310.463 2.447 10 0 DEAERO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C12CCCCC2 ZINC000246553974 282450604 /nfs/dbraw/zinc/45/06/04/282450604.db2.gz GWONHEWGXRSZRZ-OWCLPIDISA-N 1 0 323.481 2.460 10 0 DEAERO CCOc1cccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)n1 ZINC000615630886 362665714 /nfs/dbraw/zinc/66/57/14/362665714.db2.gz HOKAGIUYGTYMHR-NOLJZWGESA-N 1 0 304.390 2.254 10 0 DEAERO [NH3+][C@@H](C(=O)N1CCO[C@@H](c2cccs2)C1)c1ccccc1 ZINC000156187834 539563545 /nfs/dbraw/zinc/56/35/45/539563545.db2.gz GAZKFCVSOQRMGH-UKRRQHHQSA-N 1 0 302.399 2.348 10 0 DEAERO CCN(CC)C(=O)CC[NH2+]CC(=O)Nc1ccccc1Cl ZINC000123939393 185858970 /nfs/dbraw/zinc/85/89/70/185858970.db2.gz YNKROJQIRWDCCL-UHFFFAOYSA-N 1 0 311.813 2.127 10 0 DEAERO C[C@@H]1CCC[C@H](C[NH3+])N1S(=O)(=O)c1ccc(Cl)cc1F ZINC000070153289 190863746 /nfs/dbraw/zinc/86/37/46/190863746.db2.gz NOIUERWRAOTJNW-MWLCHTKSSA-N 1 0 320.817 2.370 10 0 DEAERO C[NH2+]CC[C@@H]1CCCCN1S(=O)(=O)/C=C/c1ccccc1 ZINC000070192543 190870902 /nfs/dbraw/zinc/87/09/02/190870902.db2.gz QQMJKRIRHVMDFB-UKYUDJEDSA-N 1 0 308.447 2.451 10 0 DEAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(Br)cc1F ZINC000070284624 190877890 /nfs/dbraw/zinc/87/78/90/190877890.db2.gz ZWCQGSNTHWZUET-CHWSQXEVSA-N 1 0 317.202 2.179 10 0 DEAERO CC(C)CN1C(=O)C2(CC[NH2+]CC2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000616579045 362894447 /nfs/dbraw/zinc/89/44/47/362894447.db2.gz OSCMNLRWDISMGG-SJORKVTESA-N 1 0 316.445 2.347 10 0 DEAERO CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1COCCN1CC[NH3+] ZINC000616641014 362903119 /nfs/dbraw/zinc/90/31/19/362903119.db2.gz SASNPLFWBFMOCJ-HNNXBMFYSA-N 1 0 321.421 2.366 10 0 DEAERO C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2C[NH3+])[C@@H]1C ZINC000070394882 190884797 /nfs/dbraw/zinc/88/47/97/190884797.db2.gz RZDZNXSWMIOWSX-GHMZBOCLSA-N 1 0 300.399 2.094 10 0 DEAERO CN(CCN1CC[NH2+]CC1)[C@@H](c1ccccc1)C(F)(F)F ZINC000070397633 190886327 /nfs/dbraw/zinc/88/63/27/190886327.db2.gz HAPGMFFEPXRNKD-AWEZNQCLSA-N 1 0 301.356 2.127 10 0 DEAERO COc1ccc(-c2cc(N3CCC[C@@H]([NH3+])C3)n[nH]2)cc1OC ZINC000070460135 190898780 /nfs/dbraw/zinc/89/87/80/190898780.db2.gz KCJFKAGCZUUWJZ-GFCCVEGCSA-N 1 0 302.378 2.021 10 0 DEAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H]2CCCO2)cc1F ZINC000181371660 539651170 /nfs/dbraw/zinc/65/11/70/539651170.db2.gz VLLVBYYEQFCXNQ-GUTXKFCHSA-N 1 0 308.397 2.468 10 0 DEAERO C[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)[C@H]1CCCO1 ZINC000183127054 539659231 /nfs/dbraw/zinc/65/92/31/539659231.db2.gz FECXZVPHSQGCSQ-MWLCHTKSSA-N 1 0 319.430 2.130 10 0 DEAERO C[C@@H](C[NH2+]C(C)(C)C)n1cc(I)cn1 ZINC000070678852 190911081 /nfs/dbraw/zinc/91/10/81/190911081.db2.gz BTLFMQHLGYIBKC-QMMMGPOBSA-N 1 0 307.179 2.437 10 0 DEAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(C(C)C)cc1)C(C)C ZINC000183643901 539663925 /nfs/dbraw/zinc/66/39/25/539663925.db2.gz KQBAOUSDLNLJBG-MRXNPFEDSA-N 1 0 305.422 2.109 10 0 DEAERO COc1cccc(CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)n1 ZINC000184992865 539670501 /nfs/dbraw/zinc/67/05/01/539670501.db2.gz YBQQMPXFFJGSBD-AWEZNQCLSA-N 1 0 320.437 2.154 10 0 DEAERO CC(C)NC(=O)CC[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000191616205 539702482 /nfs/dbraw/zinc/70/24/82/539702482.db2.gz PQGJNLFRFHULJR-CQSZACIVSA-N 1 0 307.413 2.251 10 0 DEAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1nnc[nH]1 ZINC000080576240 192168645 /nfs/dbraw/zinc/16/86/45/192168645.db2.gz PAJKJUGWYMJHSP-LBPRGKRZSA-N 1 0 307.195 2.387 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)NCc2ccc(Cl)s2)cc1 ZINC000071319626 190957594 /nfs/dbraw/zinc/95/75/94/190957594.db2.gz NFKKSVRBNCMYPD-UHFFFAOYSA-N 1 0 316.835 2.339 10 0 DEAERO c1ccc(CN2CCCO[C@@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000191835618 539703753 /nfs/dbraw/zinc/70/37/53/539703753.db2.gz DNEOCZZVLJFULS-MSOLQXFVSA-N 1 0 304.434 2.046 10 0 DEAERO COc1ccc(N(CCC[NH3+])S(=O)(=O)CC(C)(C)C)cc1 ZINC000083805415 192383482 /nfs/dbraw/zinc/38/34/82/192383482.db2.gz AJRBZALKJJQYBY-UHFFFAOYSA-N 1 0 314.451 2.226 10 0 DEAERO C[C@H](O)[C@@](C)(C[NH3+])Cc1ccc(I)cc1 ZINC000083851921 192387519 /nfs/dbraw/zinc/38/75/19/192387519.db2.gz FJQIIAMFCAWHAU-JOYOIKCWSA-N 1 0 319.186 2.180 10 0 DEAERO C[NH2+][C@H](C[S@](=O)C1CCOCC1)c1cc(C)ccc1OC ZINC000084054741 192397532 /nfs/dbraw/zinc/39/75/32/192397532.db2.gz IVBDMLGNCIRDSG-QVKFZJNVSA-N 1 0 311.447 2.192 10 0 DEAERO [NH3+]CCc1ccc(OCCS(=O)(=O)c2ccccc2)cc1 ZINC000084267712 192418911 /nfs/dbraw/zinc/41/89/11/192418911.db2.gz RGNVKWMORMMMHP-UHFFFAOYSA-N 1 0 305.399 2.041 10 0 DEAERO COC(=O)[C@H](C)CN(CCC[NH+](C)C)C(=O)c1ccc(F)cc1 ZINC000071608562 190993401 /nfs/dbraw/zinc/99/34/01/190993401.db2.gz DRHAHPWVNSKEPI-CYBMUJFWSA-N 1 0 324.396 2.029 10 0 DEAERO CC[NH+](CC)CCN(CCC(=O)OC)C(=O)c1cccs1 ZINC000071606352 190993530 /nfs/dbraw/zinc/99/35/30/190993530.db2.gz PLBFSHULTXEFSQ-UHFFFAOYSA-N 1 0 312.435 2.095 10 0 DEAERO CCCNC(=O)c1cccc(C(=O)NC[C@@H](C)[NH+](CC)CC)c1 ZINC000133492400 185990053 /nfs/dbraw/zinc/99/00/53/185990053.db2.gz NKQOPQISUVHETC-CQSZACIVSA-N 1 0 319.449 2.287 10 0 DEAERO CC[NH+]1CCN([C@@H](C)c2nc3cc(OC)c(OC)cc3[nH]2)CC1 ZINC000071665217 191001992 /nfs/dbraw/zinc/00/19/92/191001992.db2.gz WIRVWUZIROKALK-LBPRGKRZSA-N 1 0 318.421 2.279 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)Cc2csc(CC[NH3+])n2)cc1 ZINC000071696285 191008882 /nfs/dbraw/zinc/00/88/82/191008882.db2.gz BISHQAYCPFWREM-LLVKDONJSA-N 1 0 319.430 2.073 10 0 DEAERO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000236731167 201985582 /nfs/dbraw/zinc/98/55/82/201985582.db2.gz SAYILPXTOMTZKK-FZMZJTMJSA-N 1 0 311.376 2.033 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c(C3(C[NH3+])CCCCC3)nc21 ZINC000138159569 186014634 /nfs/dbraw/zinc/01/46/34/186014634.db2.gz RXDYLHQWZBVSFP-UHFFFAOYSA-N 1 0 307.419 2.127 10 0 DEAERO CCCN(CCC)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138280969 186015962 /nfs/dbraw/zinc/01/59/62/186015962.db2.gz XPVWAJOVJJNRQM-UHFFFAOYSA-N 1 0 306.378 2.234 10 0 DEAERO COc1cc(C[C@@H]([NH3+])c2cccc(Br)c2)ncn1 ZINC000138645806 186018374 /nfs/dbraw/zinc/01/83/74/186018374.db2.gz OQXJZFHONXBZJN-GFCCVEGCSA-N 1 0 308.179 2.490 10 0 DEAERO C[NH+](C)CCn1ncc(Cl)c1[C@H](O)c1ccncc1Cl ZINC000140156443 186025425 /nfs/dbraw/zinc/02/54/25/186025425.db2.gz QECKNZXJFFRBJA-CYBMUJFWSA-N 1 0 315.204 2.228 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN1C(=O)C2(CC2)N[C@H]1c1cccs1 ZINC000140309405 186026111 /nfs/dbraw/zinc/02/61/11/186026111.db2.gz APWOKNWNNWPVEB-GXTWGEPZSA-N 1 0 305.447 2.195 10 0 DEAERO CC1(C)CCSC(NCc2ccc(S(C)(=O)=O)cc2)=[NH+]1 ZINC000142327807 186031733 /nfs/dbraw/zinc/03/17/33/186031733.db2.gz OHISMWUHXPGXNM-UHFFFAOYSA-N 1 0 312.460 2.451 10 0 DEAERO CC[N@@H+]1CC[C@H](CN2C(=O)C3(CC3)N[C@H]2c2ccsc2)C1 ZINC000142220241 186032118 /nfs/dbraw/zinc/03/21/18/186032118.db2.gz KPADWYPCNSDDNF-GXTWGEPZSA-N 1 0 305.447 2.053 10 0 DEAERO CC[C@H](Cc1cccc(Br)c1)C(=O)NCCC[NH3+] ZINC000262476623 282674446 /nfs/dbraw/zinc/67/44/46/282674446.db2.gz OFVOVFYMVKHXJI-GFCCVEGCSA-N 1 0 313.239 2.483 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)NCCCCC(C)C)c[nH]1 ZINC000147921969 186042268 /nfs/dbraw/zinc/04/22/68/186042268.db2.gz ZHQMUTSDXSLWQV-UHFFFAOYSA-N 1 0 301.456 2.229 10 0 DEAERO C[C@H]1OCC[C@@]1(C[NH3+])N(C)Cc1cc(Br)cs1 ZINC000147971872 186042326 /nfs/dbraw/zinc/04/23/26/186042326.db2.gz UTTIFXDQYJSVGI-SKDRFNHKSA-N 1 0 319.268 2.449 10 0 DEAERO CCc1cc(Br)ccc1NS(=O)(=O)CCC[NH3+] ZINC000148100798 186043412 /nfs/dbraw/zinc/04/34/12/186043412.db2.gz HNRFMTAXJYDHQK-UHFFFAOYSA-N 1 0 321.240 2.102 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1CNCc1sccc1Br ZINC000148336122 186044261 /nfs/dbraw/zinc/04/42/61/186044261.db2.gz YHGXEZNZPBUEIB-GXSJLCMTSA-N 1 0 319.268 2.225 10 0 DEAERO CC(C)[C@@H]1N[C@H](c2ccsc2)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000142876362 186032583 /nfs/dbraw/zinc/03/25/83/186032583.db2.gz UXAJHZXFXXWHHN-ILXRZTDVSA-N 1 0 307.463 2.297 10 0 DEAERO CCCC[C@@H]1N[C@@H](c2ccsc2)N([C@@H]2CC[N@H+](C)C2)C1=O ZINC000145240688 186036499 /nfs/dbraw/zinc/03/64/99/186036499.db2.gz WOWDNUAKNVJYNO-QLFBSQMISA-N 1 0 307.463 2.441 10 0 DEAERO Cc1ccc([C@@H]2N[C@@H](C(C)C)C(=O)N2[C@@H]2CC[N@H+](C)C2)s1 ZINC000145226678 186036613 /nfs/dbraw/zinc/03/66/13/186036613.db2.gz LVNVTNUVNQXCPN-VHDGCEQUSA-N 1 0 307.463 2.216 10 0 DEAERO Cc1ccc([C@@H]2N[C@H](C)C(=O)N2[C@@H](C)C[NH+]2CCCC2)s1 ZINC000145805000 186037904 /nfs/dbraw/zinc/03/79/04/186037904.db2.gz NOJTZRQTHZJCAX-NJZAAPMLSA-N 1 0 307.463 2.360 10 0 DEAERO CC[NH2+][C@@H](c1sccc1Br)[C@H]1CN(C)CCO1 ZINC000147272300 186039193 /nfs/dbraw/zinc/03/91/93/186039193.db2.gz DUIRMHQEGPGCHP-GHMZBOCLSA-N 1 0 319.268 2.492 10 0 DEAERO CC(C)Oc1ccc(NC(=O)C[C@@H]2COCC[NH2+]2)cc1Cl ZINC000149132861 186047846 /nfs/dbraw/zinc/04/78/46/186047846.db2.gz BUIXMXZOEIOODN-GFCCVEGCSA-N 1 0 312.797 2.444 10 0 DEAERO CCC(CC)C[C@H](C[NH2+]CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000149093658 186048005 /nfs/dbraw/zinc/04/80/05/186048005.db2.gz ADXLIAZEFBNPKF-LSDHHAIUSA-N 1 0 305.484 2.100 10 0 DEAERO C[C@H](CS(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000149501657 186050292 /nfs/dbraw/zinc/05/02/92/186050292.db2.gz DCKIVJPLPGCBRI-VNQPRFMTSA-N 1 0 310.463 2.370 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000149533822 186050708 /nfs/dbraw/zinc/05/07/08/186050708.db2.gz RMJWNFJHWOQMIY-TUAOUCFPSA-N 1 0 310.360 2.368 10 0 DEAERO C[C@@H](CS(=O)(=O)N1CCC[C@@H]1CCC[NH3+])c1ccccc1 ZINC000149591789 186052018 /nfs/dbraw/zinc/05/20/18/186052018.db2.gz IGILZYOMXIUFIH-HOCLYGCPSA-N 1 0 310.463 2.323 10 0 DEAERO c1cc(C[NH2+][C@H]2CCCSC2)c(OC[C@H]2CCOC2)cn1 ZINC000287134007 219336060 /nfs/dbraw/zinc/33/60/60/219336060.db2.gz AICOBCSAGXPZFK-ZFWWWQNUSA-N 1 0 308.447 2.482 10 0 DEAERO COc1cc(C)ccc1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000155707741 186104981 /nfs/dbraw/zinc/10/49/81/186104981.db2.gz RTIDXUVPIKGOBE-MRXNPFEDSA-N 1 0 317.433 2.383 10 0 DEAERO [NH3+][C@@H]1CCCN(C(=O)c2cccc(F)c2Br)C1 ZINC000155977601 186124972 /nfs/dbraw/zinc/12/49/72/186124972.db2.gz SACXTGYOUMDZCF-MRVPVSSYSA-N 1 0 301.159 2.152 10 0 DEAERO COc1ccc(Br)c(C[NH2+]C[C@H](C)[S@](C)=O)c1 ZINC000159623114 186131406 /nfs/dbraw/zinc/13/14/06/186131406.db2.gz KCZAUBXTMHGTEV-HUTHGQBESA-N 1 0 320.252 2.314 10 0 DEAERO C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1cccc(Br)c1 ZINC000163930696 186143083 /nfs/dbraw/zinc/14/30/83/186143083.db2.gz XZDXOOZNSYIZLC-UWVGGRQHSA-N 1 0 311.223 2.482 10 0 DEAERO [NH3+]CCCOC1CCN(c2ccncc2Br)CC1 ZINC000163958791 186143432 /nfs/dbraw/zinc/14/34/32/186143432.db2.gz CQALSWYTPQLCNV-UHFFFAOYSA-N 1 0 314.227 2.178 10 0 DEAERO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2C(N)=S)C1 ZINC000164355405 186157166 /nfs/dbraw/zinc/15/71/66/186157166.db2.gz XEOSGKGBLYMOOY-NEPJUHHUSA-N 1 0 305.447 2.380 10 0 DEAERO O=C(c1coc(Br)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171442164 186160995 /nfs/dbraw/zinc/16/09/95/186160995.db2.gz BMRKFEDVYUWDOV-NSHDSACASA-N 1 0 313.195 2.352 10 0 DEAERO COC[C@H](C)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000171453336 186162201 /nfs/dbraw/zinc/16/22/01/186162201.db2.gz OVKMSCHUSNLSME-AWEZNQCLSA-N 1 0 305.422 2.050 10 0 DEAERO CC(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000181920340 186218924 /nfs/dbraw/zinc/21/89/24/186218924.db2.gz NWMLQDLMHDNSNI-ZDUSSCGKSA-N 1 0 303.406 2.308 10 0 DEAERO CCOCc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900751 198004416 /nfs/dbraw/zinc/00/44/16/198004416.db2.gz DPVRCAQIHVCVHV-QGZVFWFLSA-N 1 0 317.433 2.213 10 0 DEAERO CSc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171904362 198005459 /nfs/dbraw/zinc/00/54/59/198005459.db2.gz KXDSEESCPLOETI-AWEZNQCLSA-N 1 0 305.447 2.398 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)Nc2nncs2)ccc1F ZINC000172046659 198030816 /nfs/dbraw/zinc/03/08/16/198030816.db2.gz IAVVGFXZXZKHIJ-UHFFFAOYSA-N 1 0 309.370 2.061 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)cc2c1OCOC2 ZINC000172081826 198036711 /nfs/dbraw/zinc/03/67/11/198036711.db2.gz NZQRDRQPEHNHBC-BLLLJJGKSA-N 1 0 306.381 2.361 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1nc2c(s1)COCC2 ZINC000172264661 198068079 /nfs/dbraw/zinc/06/80/79/198068079.db2.gz LYOBZNZVEMRKKU-JTQLQIEISA-N 1 0 312.439 2.068 10 0 DEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H](O)CC(C)(C)C ZINC000172307495 198077148 /nfs/dbraw/zinc/07/71/48/198077148.db2.gz QRRZNFAXZXROLN-HZPDHXFCSA-N 1 0 306.450 2.073 10 0 DEAERO c1ccc2oc(N3CCN(CC[NH+]4CCCCC4)CC3)nc2c1 ZINC000172394884 198090095 /nfs/dbraw/zinc/09/00/95/198090095.db2.gz PSDFKQBJTOVYCD-UHFFFAOYSA-N 1 0 314.433 2.436 10 0 DEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000324433923 539907002 /nfs/dbraw/zinc/90/70/02/539907002.db2.gz CCWLQFNWTZSIJX-OCCSQVGLSA-N 1 0 301.814 2.076 10 0 DEAERO CC(C)c1ccc([C@H](C)NC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000333425417 539959124 /nfs/dbraw/zinc/95/91/24/539959124.db2.gz TWTPMAQTIWVUGL-AWEZNQCLSA-N 1 0 317.433 2.255 10 0 DEAERO Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)n(C)n1 ZINC000173586106 198230900 /nfs/dbraw/zinc/23/09/00/198230900.db2.gz SSBOPJJWXWLQDE-DLBZAZTESA-N 1 0 324.428 2.323 10 0 DEAERO Cc1cc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1F ZINC000173615525 198232255 /nfs/dbraw/zinc/23/22/55/198232255.db2.gz METMXFCVDPKTSR-OAHLLOKOSA-N 1 0 303.381 2.290 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(-n2cncn2)c(C)c1 ZINC000173709871 198243686 /nfs/dbraw/zinc/24/36/86/198243686.db2.gz FBRBTKRPQNHXBH-AWEZNQCLSA-N 1 0 315.421 2.036 10 0 DEAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3sccc3C)C2=O)n(C)n1 ZINC000173852256 198259852 /nfs/dbraw/zinc/25/98/52/198259852.db2.gz LCPXJRDRZQCQET-ZDUSSCGKSA-N 1 0 318.446 2.384 10 0 DEAERO C[C@@H](Cc1cccs1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173899469 198266025 /nfs/dbraw/zinc/26/60/25/198266025.db2.gz KOAJDLLGRDEKEN-UONOGXRCSA-N 1 0 305.447 2.335 10 0 DEAERO C[C@H](Cc1cccs1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173899456 198266528 /nfs/dbraw/zinc/26/65/28/198266528.db2.gz KOAJDLLGRDEKEN-KGLIPLIRSA-N 1 0 305.447 2.335 10 0 DEAERO CC(C)[NH2+]C[C@H](O)Cc1ccc(I)cc1 ZINC000084993474 192479066 /nfs/dbraw/zinc/47/90/66/192479066.db2.gz DWSVWMIACNWUEJ-GFCCVEGCSA-N 1 0 319.186 2.193 10 0 DEAERO COCc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000173813583 198255863 /nfs/dbraw/zinc/25/58/63/198255863.db2.gz PJEGUFAZTABUIY-WMLDXEAASA-N 1 0 319.449 2.457 10 0 DEAERO O=C(NCc1cc(Cl)cc2c1OCC2)N[C@@H]1CCCC[NH2+]C1 ZINC000333823927 539973010 /nfs/dbraw/zinc/97/30/10/539973010.db2.gz RNIMSCJJMHKDTC-CQSZACIVSA-N 1 0 323.824 2.216 10 0 DEAERO CCc1nnc(CN2CC[C@@H](COCc3ccccc3)C2)n1C ZINC000173977537 198275407 /nfs/dbraw/zinc/27/54/07/198275407.db2.gz WOGQUZJLADABSK-MRXNPFEDSA-N 1 0 314.433 2.416 10 0 DEAERO CC[C@@H](O)C[NH+]1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000174082984 198288929 /nfs/dbraw/zinc/28/89/29/198288929.db2.gz SEPGJBNXHMPWRD-CQSZACIVSA-N 1 0 314.376 2.177 10 0 DEAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2COc3ccccc32)CC[N@@H+]1C ZINC000174441271 198335952 /nfs/dbraw/zinc/33/59/52/198335952.db2.gz MXIHQTMFAKKIKS-UMVBOHGHSA-N 1 0 303.406 2.244 10 0 DEAERO CC[C@H]1CN(C(=O)c2cc(C)ccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000174609327 198358583 /nfs/dbraw/zinc/35/85/83/198358583.db2.gz DSMCIADZBQAAHN-KGLIPLIRSA-N 1 0 308.397 2.051 10 0 DEAERO CC[C@H]1CN(C(=O)CCCc2cccs2)CC[N@@H+]1C[C@@H](C)O ZINC000174612368 198358606 /nfs/dbraw/zinc/35/86/06/198358606.db2.gz ZVOMQAOOCQWQPM-CABCVRRESA-N 1 0 324.490 2.374 10 0 DEAERO O[C@@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1cccc(Cl)c1 ZINC000174788160 198385172 /nfs/dbraw/zinc/38/51/72/198385172.db2.gz OKPZJCNAAJDYBS-BBRMVZONSA-N 1 0 320.824 2.377 10 0 DEAERO COc1ccc([C@H](CNc2ncnc3nc[nH]c32)[NH+](C)C)cc1 ZINC000032828993 354154691 /nfs/dbraw/zinc/15/46/91/354154691.db2.gz AOMMPYRHUYRAHQ-ZDUSSCGKSA-N 1 0 312.377 2.076 10 0 DEAERO CCOc1ccccc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000043332386 354219715 /nfs/dbraw/zinc/21/97/15/354219715.db2.gz ABUUTOOHNDAWEB-AWEZNQCLSA-N 1 0 321.421 2.054 10 0 DEAERO C[C@@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)N(C)C ZINC000044317291 354233431 /nfs/dbraw/zinc/23/34/31/354233431.db2.gz JOIPCUBWLJTKME-WDEREUQCSA-N 1 0 321.248 2.273 10 0 DEAERO CCOC[C@H](C)[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000044425888 354235328 /nfs/dbraw/zinc/23/53/28/354235328.db2.gz LFZLKXVGFSNYCA-GXTWGEPZSA-N 1 0 301.814 2.232 10 0 DEAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1cscn1 ZINC000051751610 354389026 /nfs/dbraw/zinc/38/90/26/354389026.db2.gz CGCBVSXICMPMLE-AWEZNQCLSA-N 1 0 318.446 2.115 10 0 DEAERO CC(C)CCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000073426877 191315817 /nfs/dbraw/zinc/31/58/17/191315817.db2.gz PAOWZDWZQMNHCW-UHFFFAOYSA-N 1 0 324.513 2.282 10 0 DEAERO COc1cccc([C@H](CNC(=O)N(C)C2CCC2)[NH+](C)C)c1 ZINC000073493250 191320533 /nfs/dbraw/zinc/32/05/33/191320533.db2.gz KFEOLCNTCUAWEF-INIZCTEOSA-N 1 0 305.422 2.492 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(C)c2)CC1 ZINC000077819926 355231472 /nfs/dbraw/zinc/23/14/72/355231472.db2.gz JMTPVTVZSDOETG-UHFFFAOYSA-N 1 0 317.433 2.172 10 0 DEAERO COC[C@@](C)(CCO)[NH2+]Cc1sccc1Br ZINC000085903815 355497926 /nfs/dbraw/zinc/49/79/26/355497926.db2.gz WZBKPYLUPQEMBB-LLVKDONJSA-N 1 0 308.241 2.388 10 0 DEAERO C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1cccc(Cl)c1 ZINC000089519694 355535790 /nfs/dbraw/zinc/53/57/90/355535790.db2.gz UFUGILDQFYSDRK-NSHDSACASA-N 1 0 302.827 2.026 10 0 DEAERO CNC(=O)c1cccnc1N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000091458822 355597360 /nfs/dbraw/zinc/59/73/60/355597360.db2.gz OSKJBMZZBHCFGR-HZSPNIEDSA-N 1 0 304.438 2.220 10 0 DEAERO CSC[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000077572371 191740008 /nfs/dbraw/zinc/74/00/08/191740008.db2.gz ZPUSYXICWFKHGQ-HIFRSBDPSA-N 1 0 309.479 2.210 10 0 DEAERO Cc1cccc(C(=O)NCc2ccccc2N2CC[NH2+]CC2)c1 ZINC000114593610 355764257 /nfs/dbraw/zinc/76/42/57/355764257.db2.gz FVHGUJTYHHDUBG-UHFFFAOYSA-N 1 0 309.413 2.335 10 0 DEAERO Cc1cccc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)n1 ZINC000123797981 355806599 /nfs/dbraw/zinc/80/65/99/355806599.db2.gz MQBKUEAHNJRVSR-UHFFFAOYSA-N 1 0 304.438 2.454 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CSC[C@@H]1CCCCO1 ZINC000171378014 356001809 /nfs/dbraw/zinc/00/18/09/356001809.db2.gz UOMGNKXACANRCN-GJZGRUSLSA-N 1 0 314.495 2.279 10 0 DEAERO O=C(NCCCCC[NH+]1CCCCC1)N1CCN(C2CC2)CC1 ZINC000161646420 355970230 /nfs/dbraw/zinc/97/02/30/355970230.db2.gz JHNAQVZCFBDTDT-UHFFFAOYSA-N 1 0 322.497 2.132 10 0 DEAERO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1(CO)CC1 ZINC000180053344 356040327 /nfs/dbraw/zinc/04/03/27/356040327.db2.gz CPZIILJCPFZUJJ-LBPRGKRZSA-N 1 0 310.825 2.192 10 0 DEAERO CCN(CC)C(=O)CCC1CC[NH+](Cc2cncnc2)CC1 ZINC000180768923 356059669 /nfs/dbraw/zinc/05/96/69/356059669.db2.gz AHTLKZIEGIIPSX-UHFFFAOYSA-N 1 0 304.438 2.337 10 0 DEAERO CC(C)Oc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000179116473 356014572 /nfs/dbraw/zinc/01/45/72/356014572.db2.gz QLIQHWXWZLEMJR-KBPBESRZSA-N 1 0 305.422 2.424 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000080157022 192006620 /nfs/dbraw/zinc/00/66/20/192006620.db2.gz ORTBICRUNJQSDF-SQWLQELKSA-N 1 0 308.447 2.263 10 0 DEAERO CC(C)[C@H](C)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000080157252 192006933 /nfs/dbraw/zinc/00/69/33/192006933.db2.gz LJPFWMHOGRYTIO-NSHDSACASA-N 1 0 306.410 2.013 10 0 DEAERO Cc1cc(C)n([C@@H](C)C(=O)NCC[C@H](C)[NH+]2CCCCC2)n1 ZINC000183140321 356161558 /nfs/dbraw/zinc/16/15/58/356161558.db2.gz MLXIJFWHQOZPSH-HOCLYGCPSA-N 1 0 306.454 2.442 10 0 DEAERO COC[C@@H]([NH2+]CCOc1ccc(F)cc1F)C1CCOCC1 ZINC000188109437 356214074 /nfs/dbraw/zinc/21/40/74/356214074.db2.gz LMKLCNMHVHHFTR-OAHLLOKOSA-N 1 0 315.360 2.375 10 0 DEAERO COC[C@@H]([NH2+]Cc1cccc2c1OCCCO2)C1CCOCC1 ZINC000188248761 356214556 /nfs/dbraw/zinc/21/45/56/356214556.db2.gz LATDXGLEMGCROJ-MRXNPFEDSA-N 1 0 321.417 2.379 10 0 DEAERO CC[C@H](NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000080315070 192023265 /nfs/dbraw/zinc/02/32/65/192023265.db2.gz XJOJKTWMAOGXKG-RYUDHWBXSA-N 1 0 317.480 2.046 10 0 DEAERO CC[C@H](C)[C@@H](C)NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184958372 356200481 /nfs/dbraw/zinc/20/04/81/356200481.db2.gz VBVCXEXQOADXDJ-RRFJBIMHSA-N 1 0 313.486 2.155 10 0 DEAERO CN(C)c1nnc(SC[C@@H](C(N)=[NH2+])c2ccccc2)s1 ZINC000080795683 192191958 /nfs/dbraw/zinc/19/19/58/192191958.db2.gz CDQHBEZGVPNPHY-SNVBAGLBSA-N 1 0 307.448 2.416 10 0 DEAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248573226 356323012 /nfs/dbraw/zinc/32/30/12/356323012.db2.gz MREDBSQATAGTIX-BARDWOONSA-N 1 0 302.484 2.072 10 0 DEAERO NC1=[NH+]C[C@@H](c2ccc(Br)c(Br)c2)N1 ZINC000236250973 356289341 /nfs/dbraw/zinc/28/93/41/356289341.db2.gz QXJMRQOCMUMCDT-QMMMGPOBSA-N 1 0 319.000 2.171 10 0 DEAERO COc1ccc(OC)c(C(=O)Nc2nc([C@H](C)[NH3+])cs2)c1 ZINC000080864084 192196363 /nfs/dbraw/zinc/19/63/63/192196363.db2.gz WEQDVXRPSUSCJG-QMMMGPOBSA-N 1 0 307.375 2.432 10 0 DEAERO C[C@H]([NH3+])c1csc(NC(=O)[C@H]2COc3ccccc3C2)n1 ZINC000080863570 192197016 /nfs/dbraw/zinc/19/70/16/192197016.db2.gz ILSDDOAGKCXOEN-GXSJLCMTSA-N 1 0 303.387 2.353 10 0 DEAERO [NH3+]Cc1cc(I)c(OC(F)(F)F)cn1 ZINC000238664437 356304900 /nfs/dbraw/zinc/30/49/00/356304900.db2.gz MUXUDXUOBIGJQD-UHFFFAOYSA-N 1 0 318.036 2.044 10 0 DEAERO C[C@H]1CN(C(=O)c2coc(Br)c2)C[C@H]1[NH+](C)C ZINC000266194868 356348709 /nfs/dbraw/zinc/34/87/09/356348709.db2.gz NPKSTTIKVUGVLH-WCBMZHEXSA-N 1 0 301.184 2.064 10 0 DEAERO C[C@H](CC1CC1)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000305114467 356399886 /nfs/dbraw/zinc/39/98/86/356399886.db2.gz FCXJCYDGDFUCSL-COXVUDFISA-N 1 0 323.481 2.242 10 0 DEAERO CCC[NH2+]Cc1c(N2CC[C@H](COC)C2)nc2sccn12 ZINC000081072424 192222938 /nfs/dbraw/zinc/22/29/38/192222938.db2.gz FQPOEIQCCLSEQE-LBPRGKRZSA-N 1 0 308.451 2.368 10 0 DEAERO CN1CCN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1c1ncc[nH]1 ZINC000328614217 356460974 /nfs/dbraw/zinc/46/09/74/356460974.db2.gz AANHOLYKFWJSAG-HNNXBMFYSA-N 1 0 309.373 2.020 10 0 DEAERO Cc1cc(F)ccc1C(=O)N1CCO[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000328622361 356461652 /nfs/dbraw/zinc/46/16/52/356461652.db2.gz BFAKYFXFSBUNQQ-INIZCTEOSA-N 1 0 320.408 2.317 10 0 DEAERO C[N@H+](CC1CC1)C[C@@H]1CN(C(=O)c2cccn2C2CC2)CCO1 ZINC000328647599 356466043 /nfs/dbraw/zinc/46/60/43/356466043.db2.gz UCHGFVSJPWGZQO-MRXNPFEDSA-N 1 0 317.433 2.006 10 0 DEAERO CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000081451808 192269190 /nfs/dbraw/zinc/26/91/90/192269190.db2.gz FBSFAKPPHHEWME-CYBMUJFWSA-N 1 0 312.454 2.295 10 0 DEAERO O[C@@H](c1cc2c(cc1Br)OCCO2)[C@H]1CCC[NH2+]1 ZINC000085685732 192521416 /nfs/dbraw/zinc/52/14/16/192521416.db2.gz FAOZHHHOCAABPD-MFKMUULPSA-N 1 0 314.179 2.006 10 0 DEAERO c1ncn2c1C[C@H](c1nc(-c3ccn4c[nH+]cc4c3)no1)CC2 ZINC000351068076 356606501 /nfs/dbraw/zinc/60/65/01/356606501.db2.gz ABGIJRLQEPACAC-GFCCVEGCSA-N 1 0 306.329 2.311 10 0 DEAERO [NH3+][C@H]1C=C[C@@H](C(=O)NCc2ccc(Br)s2)C1 ZINC000086090942 192547517 /nfs/dbraw/zinc/54/75/17/192547517.db2.gz BXBLWEYVIMRVNV-SFYZADRCSA-N 1 0 301.209 2.030 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000236991793 202113277 /nfs/dbraw/zinc/11/32/77/202113277.db2.gz YMFVWEKZMGXZQR-MLGOLLRUSA-N 1 0 305.422 2.393 10 0 DEAERO C[C@H]1CN(CC(=O)Nc2ncc(Cl)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000086470222 192575078 /nfs/dbraw/zinc/57/50/78/192575078.db2.gz LWNQRBDVGARBMG-IUCAKERBSA-N 1 0 317.220 2.009 10 0 DEAERO COc1ccc(C[NH2+][C@]2(C)CCS(=O)(=O)C2)cc1Cl ZINC000086584398 192585572 /nfs/dbraw/zinc/58/55/72/192585572.db2.gz GNSKEKTUOSHCSF-CYBMUJFWSA-N 1 0 303.811 2.015 10 0 DEAERO C[C@]1(C(=O)N2CC[C@H](COCc3ccccc3)C2)CCC[NH2+]1 ZINC000384077055 356682189 /nfs/dbraw/zinc/68/21/89/356682189.db2.gz SSJLCVAKWPRXCI-FUHWJXTLSA-N 1 0 302.418 2.194 10 0 DEAERO O[C@@]1(CC[NH2+]Cc2ccsc2Br)CCOC1 ZINC000404206754 356732627 /nfs/dbraw/zinc/73/26/27/356732627.db2.gz QVOWQJMVDOKTGP-NSHDSACASA-N 1 0 306.225 2.142 10 0 DEAERO CC(C)c1noc([C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])n1 ZINC000409424260 356736567 /nfs/dbraw/zinc/73/65/67/356736567.db2.gz XUHSTPJHUGDSQD-WDEREUQCSA-N 1 0 310.398 2.245 10 0 DEAERO CC1(C)CCC[N@H+](CCNC(=O)NCCOCC2CCC2)C1 ZINC000578145518 356769326 /nfs/dbraw/zinc/76/93/26/356769326.db2.gz XLUUGWBOMHZFFV-UHFFFAOYSA-N 1 0 311.470 2.224 10 0 DEAERO CCOC(=O)C1(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CCC1 ZINC000578829689 356876747 /nfs/dbraw/zinc/87/67/47/356876747.db2.gz DETWBXOUCULFHC-UHFFFAOYSA-N 1 0 303.362 2.493 10 0 DEAERO CCS(=O)(=O)CCCN1C[C@@H](C(C)(C)C)[NH2+]C[C@@H]1C(C)C ZINC000086982396 192607159 /nfs/dbraw/zinc/60/71/59/192607159.db2.gz RWROUZKGRSCBLF-CABCVRRESA-N 1 0 318.527 2.156 10 0 DEAERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000237249648 202204724 /nfs/dbraw/zinc/20/47/24/202204724.db2.gz ZDJGYQIUPQRQOH-HOGDKLEQSA-N 1 0 302.827 2.013 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2CCCCCC2)s1 ZINC000088913390 192655149 /nfs/dbraw/zinc/65/51/49/192655149.db2.gz KZESAWAPWFTGOC-UHFFFAOYSA-N 1 0 302.465 2.422 10 0 DEAERO CCCC[C@@H](C[NH3+])NC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000178300679 198845616 /nfs/dbraw/zinc/84/56/16/198845616.db2.gz OIEMMKUGBUYZST-LBPRGKRZSA-N 1 0 321.446 2.368 10 0 DEAERO CCCCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC2)cn1 ZINC000088916301 192656958 /nfs/dbraw/zinc/65/69/58/192656958.db2.gz UBXSHJPKODUCSF-UHFFFAOYSA-N 1 0 311.451 2.144 10 0 DEAERO CCCCC[C@@H](C)NS(=O)(=O)c1n[nH]cc1C[NH2+]C(C)C ZINC000088998259 192689281 /nfs/dbraw/zinc/68/92/81/192689281.db2.gz WSUSVXJPDWPLIT-GFCCVEGCSA-N 1 0 316.471 2.155 10 0 DEAERO CC[NH2+]CCCCS(=O)(=O)N[C@H](C)c1sc(C)nc1C ZINC000088999376 192690085 /nfs/dbraw/zinc/69/00/85/192690085.db2.gz VJBCDNZJTWKNII-LLVKDONJSA-N 1 0 319.496 2.130 10 0 DEAERO C[C@H]([NH2+]CCCc1ccccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000180196731 199129873 /nfs/dbraw/zinc/12/98/73/199129873.db2.gz VXRLVNLMRMPZJT-ZDUSSCGKSA-N 1 0 319.430 2.012 10 0 DEAERO C[C@@H](c1cnn(C)c1)N(C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000180207004 199130463 /nfs/dbraw/zinc/13/04/63/199130463.db2.gz INQNEAPGOYERGO-HNNXBMFYSA-N 1 0 321.469 2.245 10 0 DEAERO CC[C@@H]1CN(C(=O)c2csc(C)c2C)CC[N@@H+]1C[C@@H](C)O ZINC000180285582 199141231 /nfs/dbraw/zinc/14/12/31/199141231.db2.gz NCHPUDSUGVXSRF-BXUZGUMPSA-N 1 0 310.463 2.282 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)c2cnn(C)c2)CC1 ZINC000180327741 199146595 /nfs/dbraw/zinc/14/65/95/199146595.db2.gz ZIYYVWMWLUZUGW-AWEZNQCLSA-N 1 0 321.469 2.245 10 0 DEAERO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccc(Cl)cn2)C1 ZINC000180544969 199173736 /nfs/dbraw/zinc/17/37/36/199173736.db2.gz OGTLHUAYYLNJJJ-GFCCVEGCSA-N 1 0 310.829 2.266 10 0 DEAERO CC[C@@H](C)Oc1cc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)ccn1 ZINC000180668273 199193396 /nfs/dbraw/zinc/19/33/96/199193396.db2.gz ANORSKXMOMAEAU-UKRRQHHQSA-N 1 0 320.437 2.104 10 0 DEAERO C[C@H]([NH2+]CCCOC(=O)NC(N)=O)c1ccc(F)c(Cl)c1 ZINC000180741292 199203816 /nfs/dbraw/zinc/20/38/16/199203816.db2.gz ZPSPNFOPTNKZEB-QMMMGPOBSA-N 1 0 317.748 2.325 10 0 DEAERO [NH3+]C1(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000261797106 283398932 /nfs/dbraw/zinc/39/89/32/283398932.db2.gz INSXOQALLPZCSG-ZDUSSCGKSA-N 1 0 308.809 2.164 10 0 DEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1c(Br)c(C)nn1C ZINC000089270283 192754150 /nfs/dbraw/zinc/75/41/50/192754150.db2.gz GFZNUYFCHLGINJ-GXSJLCMTSA-N 1 0 315.259 2.063 10 0 DEAERO CCCOC[C@@H](Cc1c(Br)c(C)nn1C)[NH2+]CC ZINC000089251169 192751698 /nfs/dbraw/zinc/75/16/98/192751698.db2.gz VUKOLTFYYRWEQS-LLVKDONJSA-N 1 0 318.259 2.438 10 0 DEAERO CCc1nn(C)c(CN[C@@H](C)CC[NH+](C)C)c1Br ZINC000089317949 192766396 /nfs/dbraw/zinc/76/63/96/192766396.db2.gz WABHKBMUQDTRJC-JTQLQIEISA-N 1 0 317.275 2.175 10 0 DEAERO CCn1nc(C)c(Br)c1CN1CC[C@H]([NH+](C)C)C1 ZINC000089274390 192756416 /nfs/dbraw/zinc/75/64/16/192756416.db2.gz GJDMSWIGECZICB-NSHDSACASA-N 1 0 315.259 2.110 10 0 DEAERO CCn1nc(C)c(Br)c1CNCC[NH+](CC)CC ZINC000089276044 192757014 /nfs/dbraw/zinc/75/70/14/192757014.db2.gz JLTVRLWXJGIMFB-UHFFFAOYSA-N 1 0 317.275 2.405 10 0 DEAERO CCn1nc(C)c(Br)c1CN1CCC[C@H]1C[NH2+]C ZINC000089279384 192758433 /nfs/dbraw/zinc/75/84/33/192758433.db2.gz XTKNLMGSDWYUIQ-NSHDSACASA-N 1 0 315.259 2.158 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@H]([NH2+]C)[C@H]1CCOC1 ZINC000089297936 192760478 /nfs/dbraw/zinc/76/04/78/192760478.db2.gz JOZCZEGCIBJPGB-QWRGUYRKSA-N 1 0 316.243 2.141 10 0 DEAERO CCn1nc(C)c(Br)c1C[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000089298032 192760616 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ZINC000092115715 193163079 /nfs/dbraw/zinc/16/30/79/193163079.db2.gz WWWPCKPNNGDSDZ-NSHDSACASA-N 1 0 300.399 2.095 10 0 DEAERO CN(Cc1ccsc1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115669 193163287 /nfs/dbraw/zinc/16/32/87/193163287.db2.gz GAKILXJHFRYNJE-UHFFFAOYSA-N 1 0 314.407 2.167 10 0 DEAERO CN(Cc1cccs1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115667 193163307 /nfs/dbraw/zinc/16/33/07/193163307.db2.gz DJOJRQIRIBLKKO-UHFFFAOYSA-N 1 0 314.407 2.167 10 0 DEAERO CC1(CNS(=O)(=O)c2ccc(C[NH3+])cc2F)CCCC1 ZINC000092116189 193164440 /nfs/dbraw/zinc/16/44/40/193164440.db2.gz OFZIXHLLFOPGBH-UHFFFAOYSA-N 1 0 300.399 2.143 10 0 DEAERO C[NH2+]C[C@H](C)C(=O)NCc1cc(Br)ccc1F ZINC000092136365 193166885 /nfs/dbraw/zinc/16/68/85/193166885.db2.gz PCZUSTLQHCAOSX-QMMMGPOBSA-N 1 0 303.175 2.060 10 0 DEAERO C1=CC[NH+]([C@@H]2CCN(c3nccn4nc(C5CCC5)cc34)C2)C1 ZINC000631130200 368034081 /nfs/dbraw/zinc/03/40/81/368034081.db2.gz GQBSUQFKVICGRO-OAHLLOKOSA-N 1 0 309.417 2.447 10 0 DEAERO O=C(Nc1ccc2c(c1)COC2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000092166491 193170029 /nfs/dbraw/zinc/17/00/29/193170029.db2.gz BRVQTPQYSKDEOB-INIZCTEOSA-N 1 0 301.390 2.419 10 0 DEAERO Cc1sc2ncnc(N3CCC[C@@](O)(C[NH+](C)C)C3)c2c1C ZINC000631344459 368164226 /nfs/dbraw/zinc/16/42/26/368164226.db2.gz QMUUWZLKXBZNRF-MRXNPFEDSA-N 1 0 320.462 2.201 10 0 DEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CSc4ccccc43)C[C@@H]2C1 ZINC000092239111 193178201 /nfs/dbraw/zinc/17/82/01/193178201.db2.gz GSCHAIMHWACZDT-COMQUAJESA-N 1 0 302.443 2.462 10 0 DEAERO COc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc2c1OCCO2 ZINC000092253539 193180504 /nfs/dbraw/zinc/18/05/04/193180504.db2.gz GIMCZWVWSHMFLJ-CQSZACIVSA-N 1 0 320.433 2.240 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@H](C)N2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631831811 368409043 /nfs/dbraw/zinc/40/90/43/368409043.db2.gz PJDYKINSJXBWLK-BBRMVZONSA-N 1 0 317.433 2.420 10 0 DEAERO Cc1cc(C)c(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)s1 ZINC000631961300 368468196 /nfs/dbraw/zinc/46/81/96/368468196.db2.gz KVXGGPRZNMBCDL-LBPRGKRZSA-N 1 0 302.465 2.257 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c(C)s1 ZINC000631995577 368485084 /nfs/dbraw/zinc/48/50/84/368485084.db2.gz IUQQHGXIBRRFCM-STQMWFEESA-N 1 0 314.476 2.128 10 0 DEAERO CC(C)(O)C[NH+]1CCN(C[C@H]2CSc3ccccc32)CC1 ZINC000092292765 193185977 /nfs/dbraw/zinc/18/59/77/193185977.db2.gz XTNHOQPGXKEVKE-AWEZNQCLSA-N 1 0 306.475 2.264 10 0 DEAERO O=C1CC2(CN1C[C@@H]1CSc3ccccc31)CC[NH2+]CC2 ZINC000092292965 193186172 /nfs/dbraw/zinc/18/61/72/193186172.db2.gz KTOSFNUTCVVQFG-CYBMUJFWSA-N 1 0 302.443 2.478 10 0 DEAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cccc(C(F)(F)F)c1 ZINC000261691967 203094954 /nfs/dbraw/zinc/09/49/54/203094954.db2.gz HNASZWVGZJWFJD-WQAKAFBOSA-N 1 0 316.323 2.389 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N(Cc2ccccc2)CC2CCC2)O1 ZINC000261669450 203089836 /nfs/dbraw/zinc/08/98/36/203089836.db2.gz GFMOQJDMXBTGQB-SJORKVTESA-N 1 0 302.418 2.322 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c(Cl)c1 ZINC000262043462 203182262 /nfs/dbraw/zinc/18/22/62/203182262.db2.gz YTUROBXGVJAYBO-OLZOCXBDSA-N 1 0 318.808 2.324 10 0 DEAERO C[NH2+]CCC1CCN(C(=O)c2ccc(-c3ncon3)cc2)CC1 ZINC000262105704 203200474 /nfs/dbraw/zinc/20/04/74/203200474.db2.gz UCCVFXXYGXGDFJ-UHFFFAOYSA-N 1 0 314.389 2.198 10 0 DEAERO C[NH2+]C[C@H](Cc1ncnn1C)c1cccc(Br)c1 ZINC000093167152 193209745 /nfs/dbraw/zinc/20/97/45/193209745.db2.gz NNYSWGCFONSJBY-NSHDSACASA-N 1 0 309.211 2.123 10 0 DEAERO C[NH2+]C[C@@H](CCS(C)(=O)=O)c1ccc(Br)cc1 ZINC000093150117 193208546 /nfs/dbraw/zinc/20/85/46/193208546.db2.gz DCIVQULPYYHPOS-LLVKDONJSA-N 1 0 320.252 2.187 10 0 DEAERO C[NH2+][C@H](C(=O)N(C)c1ccc(SC)cc1)c1cnn(C)c1 ZINC000262511233 203314721 /nfs/dbraw/zinc/31/47/21/203314721.db2.gz JQNKKSVFYGXSII-AWEZNQCLSA-N 1 0 304.419 2.066 10 0 DEAERO [NH3+][C@H]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000093211720 193217204 /nfs/dbraw/zinc/21/72/04/193217204.db2.gz IUJCEMNELXCKPX-ONGXEEELSA-N 1 0 304.362 2.365 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](Oc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000093219736 193218272 /nfs/dbraw/zinc/21/82/72/193218272.db2.gz FSCIHQZUWWYABF-ZJUUUORDSA-N 1 0 305.346 2.332 10 0 DEAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)C(OCC)OCC ZINC000093307131 193227699 /nfs/dbraw/zinc/22/76/99/193227699.db2.gz SEWJBVZHUFRGHW-NSHDSACASA-N 1 0 303.834 2.302 10 0 DEAERO CCC(CC)[N@@H+](CC(=O)N(C)CCC(N)=S)CC(C)C ZINC000093309081 193227702 /nfs/dbraw/zinc/22/77/02/193227702.db2.gz CMCRINMVAWAMAM-UHFFFAOYSA-N 1 0 301.500 2.268 10 0 DEAERO C[NH2+][C@H](Cc1ccc(Br)cc1F)C(OC)OC ZINC000093304830 193227853 /nfs/dbraw/zinc/22/78/53/193227853.db2.gz ORPUUIYYYYKCBF-LLVKDONJSA-N 1 0 306.175 2.338 10 0 DEAERO NC1=[NH+]C[C@@H]([C@H]2CCCOC2)N1c1ccccc1Br ZINC000093382536 193240688 /nfs/dbraw/zinc/24/06/88/193240688.db2.gz JQRLXFVDXYVJFK-GWCFXTLKSA-N 1 0 324.222 2.379 10 0 DEAERO C[NH+](C)CC(C)(C)CNc1ncc(N)cc1Br ZINC000093432612 193249715 /nfs/dbraw/zinc/24/97/15/193249715.db2.gz MNXRTNBIWLZMBQ-UHFFFAOYSA-N 1 0 301.232 2.426 10 0 DEAERO NC1=[NH+]C[C@@H]([C@@H]2CCCOC2)N1c1cccc(Br)c1 ZINC000093387193 193241680 /nfs/dbraw/zinc/24/16/80/193241680.db2.gz WOSIZRIJQMBXHK-MFKMUULPSA-N 1 0 324.222 2.379 10 0 DEAERO COCC[C@]1(C)C[NH+]=C(N)N1c1cccc(Br)c1 ZINC000093387259 193242599 /nfs/dbraw/zinc/24/25/99/193242599.db2.gz FSSCUGYPXYAOMQ-CYBMUJFWSA-N 1 0 312.211 2.379 10 0 DEAERO C[C@H](C[C@@H]1CCCC[NH2+]1)NCc1ccc(S(C)(=O)=O)cc1 ZINC000093486723 193258859 /nfs/dbraw/zinc/25/88/59/193258859.db2.gz GSWZTTCSWHZHSP-HIFRSBDPSA-N 1 0 310.463 2.100 10 0 DEAERO Cn1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(-c2cccnc2)n1 ZINC000093505838 193260931 /nfs/dbraw/zinc/26/09/31/193260931.db2.gz JTUFDYLXCROURQ-WBVHZDCISA-N 1 0 312.417 2.483 10 0 DEAERO Cc1cc(C)n2c(C[N@@H+]3CC[C@H](Oc4cccnc4)C3)cnc2n1 ZINC000093691196 193291260 /nfs/dbraw/zinc/29/12/60/193291260.db2.gz FVJXOYIGRAKTCF-KRWDZBQOSA-N 1 0 323.400 2.394 10 0 DEAERO CCC[NH2+][C@@H](CC[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093697985 193292736 /nfs/dbraw/zinc/29/27/36/193292736.db2.gz XRKYZYZPWFJQPP-GJZGRUSLSA-N 1 0 304.500 2.462 10 0 DEAERO CC1(C)CCC([NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093699226 193293659 /nfs/dbraw/zinc/29/36/59/193293659.db2.gz SIZQQTDMMLTNGD-ZDUSSCGKSA-N 1 0 302.484 2.346 10 0 DEAERO CC1CCC([C@H]([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093700181 193294112 /nfs/dbraw/zinc/29/41/12/193294112.db2.gz PQDGJYTWYOLCCE-HXSCFSKGSA-N 1 0 302.484 2.202 10 0 DEAERO CC[NH2+]C[C@@H](CC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701348 193294985 /nfs/dbraw/zinc/29/49/85/193294985.db2.gz MPTPRMCNYFTOLT-GJZGRUSLSA-N 1 0 304.500 2.320 10 0 DEAERO CCC[NH2+][C@H](C)C[C@@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702344 193295568 /nfs/dbraw/zinc/29/55/68/193295568.db2.gz RJGPRILITKIXAW-KFWWJZLASA-N 1 0 304.500 2.462 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(Cc2cc3cc(OC)ccc3o2)CC1 ZINC000093740458 193298291 /nfs/dbraw/zinc/29/82/91/193298291.db2.gz BWSDRCXASGXVBN-OAHLLOKOSA-N 1 0 318.417 2.330 10 0 DEAERO Cc1nn([C@@H]2CCC[C@]([NH2+]C(C)C)(C(N)=O)C2)c(C)c1Cl ZINC000093759614 193301110 /nfs/dbraw/zinc/30/11/10/193301110.db2.gz NNAUSEFZFHVUFD-IUODEOHRSA-N 1 0 312.845 2.491 10 0 DEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H](N(C)CCC(F)(F)F)C1 ZINC000093756565 193301437 /nfs/dbraw/zinc/30/14/37/193301437.db2.gz ZCPFTDRQKJWWGV-DGCLKSJQSA-N 1 0 309.376 2.037 10 0 DEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2ccc(F)c(F)c2)C1 ZINC000093776348 193304836 /nfs/dbraw/zinc/30/48/36/193304836.db2.gz IYAKIWBDSHPKGF-IINYFYTJSA-N 1 0 300.374 2.443 10 0 DEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2ccc(F)c(F)c2)C1 ZINC000093776351 193305350 /nfs/dbraw/zinc/30/53/50/193305350.db2.gz IYAKIWBDSHPKGF-YGRLFVJLSA-N 1 0 300.374 2.443 10 0 DEAERO C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cccnc2)CCN1C ZINC000093644140 193280683 /nfs/dbraw/zinc/28/06/83/193280683.db2.gz VSMMUDPISLVJDK-YOEHRIQHSA-N 1 0 313.449 2.397 10 0 DEAERO CC[NH2+][C@]1(C(=O)[O-])CC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093831920 193314736 /nfs/dbraw/zinc/31/47/36/193314736.db2.gz DIKMGXINWOWARH-WCQYABFASA-N 1 0 308.344 2.246 10 0 DEAERO COc1ccc(S[C@H]2CC[C@@]([NH2+]C3CC3)(C(N)=O)C2)cc1 ZINC000093850428 193317522 /nfs/dbraw/zinc/31/75/22/193317522.db2.gz WCPPGQJVGDICTO-HOCLYGCPSA-N 1 0 306.431 2.316 10 0 DEAERO CCOc1ccc2[nH]c(S[C@@H]3CC[C@]([NH3+])(CO)C3)nc2c1 ZINC000093860979 193320215 /nfs/dbraw/zinc/32/02/15/193320215.db2.gz MLVAXRJNIDCAHM-IAQYHMDHSA-N 1 0 307.419 2.296 10 0 DEAERO CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccccc1F ZINC000093890957 193323940 /nfs/dbraw/zinc/32/39/40/193323940.db2.gz KGOREIZWKLOQSJ-UHFFFAOYSA-N 1 0 302.415 2.211 10 0 DEAERO C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CN(C)CCN1C ZINC000093894380 193324720 /nfs/dbraw/zinc/32/47/20/193324720.db2.gz TUTNGVHBTVLJPB-KBPBESRZSA-N 1 0 301.356 2.212 10 0 DEAERO C[NH2+][C@H](Cc1cc(Cl)ccc1Cl)[C@H]1CN(C)CCN1C ZINC000093894558 193325305 /nfs/dbraw/zinc/32/53/05/193325305.db2.gz RSHWNBYEFZRBDZ-HUUCEWRRSA-N 1 0 316.276 2.370 10 0 DEAERO CCC[NH2+][C@@H](Cc1csc(C)n1)[C@H]1CN(CCC)CCO1 ZINC000093921241 193328276 /nfs/dbraw/zinc/32/82/76/193328276.db2.gz QWIMKUVXBSQAIT-JKSUJKDBSA-N 1 0 311.495 2.473 10 0 DEAERO CC[NH2+][C@@H](c1cc(Cl)cnc1N)[C@@H]1CN(C(C)C)CCO1 ZINC000093927470 193329551 /nfs/dbraw/zinc/32/95/51/193329551.db2.gz LCMUFXJPJOLWBH-KBPBESRZSA-N 1 0 312.845 2.077 10 0 DEAERO C[NH2+][C@H](c1ccc(F)c(F)c1F)[C@H]1CN(C(C)C)CCO1 ZINC000093926591 193329604 /nfs/dbraw/zinc/32/96/04/193329604.db2.gz YFHHUMRFASFYFD-IUODEOHRSA-N 1 0 302.340 2.474 10 0 DEAERO CC(C)[NH2+]Cc1cc2ccccc2nc1SC[C@H](O)CO ZINC000093960616 193332033 /nfs/dbraw/zinc/33/20/33/193332033.db2.gz VDIZBUIWZCVTAN-CQSZACIVSA-N 1 0 306.431 2.178 10 0 DEAERO CC[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)[C@@H]1CN(C)CCO1 ZINC000094256909 193355036 /nfs/dbraw/zinc/35/50/36/193355036.db2.gz YACAAMYQOCBWIX-OLZOCXBDSA-N 1 0 311.495 2.292 10 0 DEAERO CC(C)(C)c1csc(C[C@H](O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000094255594 193355185 /nfs/dbraw/zinc/35/51/85/193355185.db2.gz WOOHGQUCSIWGLN-AGIUHOORSA-N 1 0 310.463 2.207 10 0 DEAERO CCC(C)(C)[C@@H]1CC[C@H]([NH2+]C)[C@H](N(C)CCS(C)(=O)=O)C1 ZINC000094298460 193357535 /nfs/dbraw/zinc/35/75/35/193357535.db2.gz NJXDCZKTCGYSEX-QLFBSQMISA-N 1 0 318.527 2.156 10 0 DEAERO CCC[NH2+][C@H](CN(C)CCS(C)(=O)=O)c1ccc(C)cc1 ZINC000094298396 193357640 /nfs/dbraw/zinc/35/76/40/193357640.db2.gz KRKRCLQBFVQELP-MRXNPFEDSA-N 1 0 312.479 2.012 10 0 DEAERO CC[NH2+][C@@H](CCN(C)CCS(C)(=O)=O)c1cccc(C)c1 ZINC000094300302 193358122 /nfs/dbraw/zinc/35/81/22/193358122.db2.gz OCQKBIGLMHQEBS-INIZCTEOSA-N 1 0 312.479 2.012 10 0 DEAERO CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000094326154 193359494 /nfs/dbraw/zinc/35/94/94/193359494.db2.gz FAZCRAIAMDEISE-CYBMUJFWSA-N 1 0 300.399 2.141 10 0 DEAERO CC[C@@H](C)NC(=O)[C@@H](C)Oc1c(F)cc(CC[NH3+])cc1F ZINC000094349652 193363724 /nfs/dbraw/zinc/36/37/24/193363724.db2.gz KFVWCIUDNGJMRH-NXEZZACHSA-N 1 0 300.349 2.148 10 0 DEAERO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000094034118 193339997 /nfs/dbraw/zinc/33/99/97/193339997.db2.gz FYXBVUYQEZTXHJ-ZDUSSCGKSA-N 1 0 318.417 2.323 10 0 DEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C(C)C)c1ccc(F)cn1 ZINC000094047511 193341740 /nfs/dbraw/zinc/34/17/40/193341740.db2.gz XQMRUKXKQOLQMZ-CQSZACIVSA-N 1 0 302.415 2.475 10 0 DEAERO CC[C@]1(C(=O)Nc2cc(C)c(Br)cn2)CC[NH2+]C1 ZINC000094063537 193342309 /nfs/dbraw/zinc/34/23/09/193342309.db2.gz CWPLXOYPZLZJIZ-ZDUSSCGKSA-N 1 0 312.211 2.481 10 0 DEAERO C[NH2+]CCc1sc(CS(C)(=O)=O)nc1-c1ccccc1 ZINC000094198829 193348590 /nfs/dbraw/zinc/34/85/90/193348590.db2.gz MWDWMOREOJZCSB-UHFFFAOYSA-N 1 0 310.444 2.117 10 0 DEAERO C[NH2+][C@H](CCCS(C)(=O)=O)c1ncc(Cl)cc1Cl ZINC000094200654 193348812 /nfs/dbraw/zinc/34/88/12/193348812.db2.gz BENXOIXGVREUMT-SNVBAGLBSA-N 1 0 311.234 2.474 10 0 DEAERO CCC([NH3+])(CC)C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000094243879 193354609 /nfs/dbraw/zinc/35/46/09/193354609.db2.gz PTBICJSWVYQELE-UHFFFAOYSA-N 1 0 307.785 2.377 10 0 DEAERO [NH3+][C@H](C[S@](=O)c1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000094625459 193385552 /nfs/dbraw/zinc/38/55/52/193385552.db2.gz UDABKWFYAVNIHB-LRTDBIEQSA-N 1 0 307.346 2.362 10 0 DEAERO CCC1CCC(O)(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094636190 193386585 /nfs/dbraw/zinc/38/65/85/193386585.db2.gz BSBGEOAGHBFASS-FYRZTWFESA-N 1 0 317.495 2.263 10 0 DEAERO CCC[NH2+][C@H](CCCOC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642440 193388672 /nfs/dbraw/zinc/38/86/72/193388672.db2.gz VSVWQJHVADYAQI-QLFBSQMISA-N 1 0 305.484 2.385 10 0 DEAERO C[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CSCCS1 ZINC000094643136 193389098 /nfs/dbraw/zinc/38/90/98/193389098.db2.gz XADDCTYRBPFJJJ-MROQNXINSA-N 1 0 323.549 2.026 10 0 DEAERO COCC[NH2+][C@@H](C)[C@H](C)Cc1c(Br)c(C)nn1C ZINC000094656433 193390392 /nfs/dbraw/zinc/39/03/92/193390392.db2.gz XRDCSCLNRDLRJN-ZJUUUORDSA-N 1 0 318.259 2.294 10 0 DEAERO Nc1cccc(Br)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094457646 193371870 /nfs/dbraw/zinc/37/18/70/193371870.db2.gz MTRJYUIHDZEAJM-LLVKDONJSA-N 1 0 310.239 2.311 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1C(N)=S ZINC000094460656 193372152 /nfs/dbraw/zinc/37/21/52/193372152.db2.gz BNHJCIOGNILHSN-SMDDNHRTSA-N 1 0 307.438 2.128 10 0 DEAERO [NH3+]CCc1cn(CCOc2ccc(Br)cc2)cn1 ZINC000094529549 193376648 /nfs/dbraw/zinc/37/66/48/193376648.db2.gz GFBRNUMXPFWRQL-UHFFFAOYSA-N 1 0 310.195 2.226 10 0 DEAERO CNc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000094595916 193382390 /nfs/dbraw/zinc/38/23/90/193382390.db2.gz LGVRRQUSNJJTGW-SNVBAGLBSA-N 1 0 301.312 2.181 10 0 DEAERO C[C@H](CC[NH+](C)C)NC(=O)c1cccc(C(F)(F)F)c1N ZINC000094598899 193383179 /nfs/dbraw/zinc/38/31/79/193383179.db2.gz ABQIJIIZYPDMEK-SECBINFHSA-N 1 0 303.328 2.358 10 0 DEAERO O=S1(=O)CC[C@@H]([NH2+]CCn2ccc3c2cccc3Cl)C1 ZINC000094613129 193384509 /nfs/dbraw/zinc/38/45/09/193384509.db2.gz CMZHZVPVFIPNDW-LLVKDONJSA-N 1 0 312.822 2.071 10 0 DEAERO CC[NH2+][C@H](C)[C@@H]1CCCN([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094633993 193385266 /nfs/dbraw/zinc/38/52/66/193385266.db2.gz NWYZEQKKEYGLRP-FPCVCCKLSA-N 1 0 316.511 2.052 10 0 DEAERO Cc1cscc1CNS(=O)(=O)c1cc(C[NH3+])cs1 ZINC000094887026 193404962 /nfs/dbraw/zinc/40/49/62/193404962.db2.gz ZFVBHGGBJWWNFL-UHFFFAOYSA-N 1 0 302.446 2.055 10 0 DEAERO NC(=O)c1ccc(NC(=O)[C@@H]2CCCCC[C@H]2[NH3+])cc1Cl ZINC000094750869 193395557 /nfs/dbraw/zinc/39/55/57/193395557.db2.gz HGIOYZUNKPFQIN-DGCLKSJQSA-N 1 0 309.797 2.285 10 0 DEAERO CC[NH2+]CCc1ccc(S(=O)(=O)N2CCC(C)(C)C2)s1 ZINC000094814920 193399875 /nfs/dbraw/zinc/39/98/75/193399875.db2.gz VSLXIMQRXQALTL-UHFFFAOYSA-N 1 0 316.492 2.321 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCC(C)(C)C2)c(C)o1 ZINC000094814936 193399921 /nfs/dbraw/zinc/39/99/21/193399921.db2.gz FJZKIJIQDNXIEE-UHFFFAOYSA-N 1 0 300.424 2.118 10 0 DEAERO C[NH2+]Cc1cc(F)c(C)c(S(=O)(=O)N2CCC(C)(C)C2)c1 ZINC000094814969 193399979 /nfs/dbraw/zinc/39/99/79/193399979.db2.gz APOXGRDRTLIIQD-UHFFFAOYSA-N 1 0 314.426 2.274 10 0 DEAERO COc1ccc2c(c1)C[C@@H]([NH2+]CCN1CC=C(C)CC1)CO2 ZINC000453193833 244989687 /nfs/dbraw/zinc/98/96/87/244989687.db2.gz IHFVYLYSDYJKIM-MRXNPFEDSA-N 1 0 302.418 2.240 10 0 DEAERO Cn1ccnc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1=O ZINC000266386507 205308628 /nfs/dbraw/zinc/30/86/28/205308628.db2.gz NLHPPCMXPZSODA-MRXNPFEDSA-N 1 0 312.417 2.247 10 0 DEAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+][C@@H]1CCCOC1 ZINC000288494670 220178752 /nfs/dbraw/zinc/17/87/52/220178752.db2.gz HLVOURWOIPYCCN-CYBMUJFWSA-N 1 0 301.346 2.074 10 0 DEAERO C[NH2+][C@H](c1c(Br)cnn1CCOC)[C@H]1C[C@@H]1C ZINC000160660651 197429700 /nfs/dbraw/zinc/42/97/00/197429700.db2.gz JBCSQJHWNXVLJW-QXEWZRGKSA-N 1 0 302.216 2.209 10 0 DEAERO CCC[NH2+][C@@H](c1c(Br)cnn1C)[C@H]1CCCO1 ZINC000160304867 197398925 /nfs/dbraw/zinc/39/89/25/197398925.db2.gz ABYBHHWWMYNHAA-GHMZBOCLSA-N 1 0 302.216 2.402 10 0 DEAERO COc1ccc(OC)c(NC(=O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000020028009 182181211 /nfs/dbraw/zinc/18/12/11/182181211.db2.gz SSUGLSSBOHQFBZ-CQSZACIVSA-N 1 0 300.358 2.212 10 0 DEAERO [NH3+]C[C@H](c1ccccc1Br)N1CCSCC1 ZINC000020257146 182201303 /nfs/dbraw/zinc/20/13/03/182201303.db2.gz FUGNRIBCGBSZSE-GFCCVEGCSA-N 1 0 301.253 2.498 10 0 DEAERO COc1cc(CN2CCC([NH3+])CC2)cc(Br)c1O ZINC000020521652 182226399 /nfs/dbraw/zinc/22/63/99/182226399.db2.gz BXKBBNGPBPUIGA-UHFFFAOYSA-N 1 0 315.211 2.086 10 0 DEAERO CC(C)[NH+](CCCNC(=O)Nc1cnc(N(C)C)nc1)C(C)C ZINC000154404227 291587909 /nfs/dbraw/zinc/58/79/09/291587909.db2.gz AVQHIGAYZXMDSP-UHFFFAOYSA-N 1 0 322.457 2.173 10 0 DEAERO CCCc1cc(=O)[nH]c(SCc2ccccc2C(N)=[NH2+])n1 ZINC000021817443 182293320 /nfs/dbraw/zinc/29/33/20/182293320.db2.gz FVJRVEVGDVHFDH-UHFFFAOYSA-N 1 0 302.403 2.299 10 0 DEAERO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000154696640 291592539 /nfs/dbraw/zinc/59/25/39/291592539.db2.gz OENGHVHOYNDUPH-KRWDZBQOSA-N 1 0 320.396 2.440 10 0 DEAERO CN(CC[NH+](C)C)c1ncnc2ccc(Br)cc21 ZINC000530857575 284476195 /nfs/dbraw/zinc/47/61/95/284476195.db2.gz MFVBLFLRCKZOOJ-UHFFFAOYSA-N 1 0 309.211 2.390 10 0 DEAERO COC[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)c1ccc(F)cc1 ZINC000458466935 248325028 /nfs/dbraw/zinc/32/50/28/248325028.db2.gz MRRNOFNUPKBBCX-CQSZACIVSA-N 1 0 311.401 2.153 10 0 DEAERO COCCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000037851099 182932152 /nfs/dbraw/zinc/93/21/52/182932152.db2.gz BBJSVSWEGNRXLN-JTQLQIEISA-N 1 0 308.205 2.359 10 0 DEAERO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000038013950 182964506 /nfs/dbraw/zinc/96/45/06/182964506.db2.gz XNNMALSAPIKDHB-JTQLQIEISA-N 1 0 312.797 2.463 10 0 DEAERO CC[NH+](CC)CCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000120021737 284623161 /nfs/dbraw/zinc/62/31/61/284623161.db2.gz PHNKGHYDXCWPMP-HNNXBMFYSA-N 1 0 305.470 2.483 10 0 DEAERO COc1cc(Br)c([C@@H](CO)[NH2+]C(C)C)cc1OC ZINC000038115428 182992640 /nfs/dbraw/zinc/99/26/40/182992640.db2.gz SGJAWPHHUYWSPA-LLVKDONJSA-N 1 0 318.211 2.498 10 0 DEAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000040502327 183084311 /nfs/dbraw/zinc/08/43/11/183084311.db2.gz QCVZVKVBYADPJQ-ZFWWWQNUSA-N 1 0 310.463 2.225 10 0 DEAERO CCOC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](CC)CC ZINC000040615390 183109797 /nfs/dbraw/zinc/10/97/97/183109797.db2.gz FOUVBHKQRJVOAY-OAHLLOKOSA-N 1 0 306.406 2.057 10 0 DEAERO COC(=O)c1c(C)c(C)sc1NC(=O)CC1CC[NH2+]CC1 ZINC000040852813 183141657 /nfs/dbraw/zinc/14/16/57/183141657.db2.gz KFPLAQIRDJDZBE-UHFFFAOYSA-N 1 0 310.419 2.480 10 0 DEAERO C[C@@H]1CC[N@H+](CCCC(=O)Nc2ccccc2C(N)=S)C1 ZINC000040718318 183123931 /nfs/dbraw/zinc/12/39/31/183123931.db2.gz QLKHGXOFNDIISB-GFCCVEGCSA-N 1 0 305.447 2.381 10 0 DEAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(NC(C)=O)c2)C1 ZINC000041527633 183197416 /nfs/dbraw/zinc/19/74/16/183197416.db2.gz FDOZIVORABVKOB-INIZCTEOSA-N 1 0 303.406 2.201 10 0 DEAERO CN1CCC([N@H+](C)CCCCCNC(=O)c2ccncc2)CC1 ZINC000041569057 183204690 /nfs/dbraw/zinc/20/46/90/183204690.db2.gz PTHSRBDHAWZELN-UHFFFAOYSA-N 1 0 318.465 2.008 10 0 DEAERO COC(=O)Cc1c(C)[nH+]c2ccccc2c1NCC(OC)OC ZINC000041473235 183193180 /nfs/dbraw/zinc/19/31/80/183193180.db2.gz CNXWOQNIRUEUNS-UHFFFAOYSA-N 1 0 318.373 2.290 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000041924805 183225948 /nfs/dbraw/zinc/22/59/48/183225948.db2.gz GQEAFBLNRWSLMI-RISCZKNCSA-N 1 0 321.396 2.098 10 0 DEAERO C[C@H](O)COc1c(Br)cccc1C[NH2+]C1CC1 ZINC000042411976 183265819 /nfs/dbraw/zinc/26/58/19/183265819.db2.gz JZBYJZVBZOGQEZ-VIFPVBQESA-N 1 0 300.196 2.461 10 0 DEAERO COC(=O)COc1c(Br)cccc1C[NH2+]C1CC1 ZINC000042411988 183265929 /nfs/dbraw/zinc/26/59/29/183265929.db2.gz WQDWUELFHOEXRA-UHFFFAOYSA-N 1 0 314.179 2.253 10 0 DEAERO CC(C)[NH2+]Cc1c(N(CCCO)C(C)C)nc2sccn12 ZINC000042511548 183278605 /nfs/dbraw/zinc/27/86/05/183278605.db2.gz CCQWZUFQDAPRIY-UHFFFAOYSA-N 1 0 310.467 2.491 10 0 DEAERO CN(Cc1csc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000042360795 183258432 /nfs/dbraw/zinc/25/84/32/183258432.db2.gz NNCDTNRLFSGDAP-UHFFFAOYSA-N 1 0 319.268 2.450 10 0 DEAERO Cc1cccc([C@@H](C[NH3+])Oc2ccc(S(C)(=O)=O)cc2)c1 ZINC000042969277 183324520 /nfs/dbraw/zinc/32/45/20/183324520.db2.gz XIVNYIAMYJYXRM-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO COCCN(CCOC)[C@@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000043051582 183333036 /nfs/dbraw/zinc/33/30/36/183333036.db2.gz HPPARFYNWOYHMS-SWLSCSKDSA-N 1 0 300.830 2.323 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1sccc1C)N1CCCC[C@@H]1C(=O)NC ZINC000043248711 183346443 /nfs/dbraw/zinc/34/64/43/183346443.db2.gz XKHAEGZQYTWBNT-MGPQQGTHSA-N 1 0 309.479 2.435 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCCC[C@@H]1C(=O)NC ZINC000043242685 183346728 /nfs/dbraw/zinc/34/67/28/183346728.db2.gz GJTYHUXKLARJDE-GUTXKFCHSA-N 1 0 309.479 2.435 10 0 DEAERO CNC(=O)C1CCN([C@H](c2ccc(Cl)s2)[C@H](C)[NH3+])CC1 ZINC000043252798 183348342 /nfs/dbraw/zinc/34/83/42/183348342.db2.gz FQBZSZRZTBMZRO-ZANVPECISA-N 1 0 315.870 2.248 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CCC[C@@H]1CO ZINC000043261347 183348697 /nfs/dbraw/zinc/34/86/97/183348697.db2.gz XNMCCSBEQTVXFP-LNLATYFQSA-N 1 0 319.268 2.356 10 0 DEAERO [NH3+]C[C@@H](c1cc(Br)cs1)N1CCCC[C@@H]1CO ZINC000043286348 183350501 /nfs/dbraw/zinc/35/05/01/183350501.db2.gz DFWJFEFQIIVRJO-MNOVXSKESA-N 1 0 319.268 2.357 10 0 DEAERO COC(=O)CS[C@H](C[NH3+])c1ccc(Br)s1 ZINC000043284029 183350906 /nfs/dbraw/zinc/35/09/06/183350906.db2.gz WEUPUKNPYPOOHY-SSDOTTSWSA-N 1 0 310.238 2.417 10 0 DEAERO COc1ccc(Cl)c(NS(=O)(=O)CC[NH2+]C(C)C)c1 ZINC000043318867 183354131 /nfs/dbraw/zinc/35/41/31/183354131.db2.gz LMZOYKTZIRWHKJ-UHFFFAOYSA-N 1 0 306.815 2.088 10 0 DEAERO CC[NH2+]Cc1cc(Br)c(OCCCO)c(OC)c1 ZINC000043444030 183364033 /nfs/dbraw/zinc/36/40/33/183364033.db2.gz LMLPBONVPJZRAY-UHFFFAOYSA-N 1 0 318.211 2.328 10 0 DEAERO C[NH2+]CCC(=O)Nc1cc(Br)ccc1N(C)C ZINC000043604181 183375283 /nfs/dbraw/zinc/37/52/83/183375283.db2.gz BDCORTJGCJYLHA-UHFFFAOYSA-N 1 0 300.200 2.063 10 0 DEAERO CCCNS(=O)(=O)c1ccc(NCC(C)(C)[NH+](C)C)cc1 ZINC000043411832 183359920 /nfs/dbraw/zinc/35/99/20/183359920.db2.gz ZUBOFGHILOFYMM-UHFFFAOYSA-N 1 0 313.467 2.127 10 0 DEAERO CCOc1ccc(OCC(=O)NCCCC[NH+]2CCCC2)cc1 ZINC000044456113 183410944 /nfs/dbraw/zinc/41/09/44/183410944.db2.gz OFAZQILDYOHJTN-UHFFFAOYSA-N 1 0 320.433 2.456 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(C)CC(F)(F)F)OCCO2 ZINC000043901608 183389037 /nfs/dbraw/zinc/38/90/37/183389037.db2.gz NIWUAOJVLRWGQK-RYUDHWBXSA-N 1 0 310.360 2.144 10 0 DEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1N(C)CC(F)(F)F)OCCO2 ZINC000043901615 183389293 /nfs/dbraw/zinc/38/92/93/183389293.db2.gz NIWUAOJVLRWGQK-NWDGAFQWSA-N 1 0 310.360 2.144 10 0 DEAERO COc1ccc([C@@H]2CN(C(C)C)C(=O)[C@]23CCC[NH2+]C3)cc1 ZINC000044137352 183396400 /nfs/dbraw/zinc/39/64/00/183396400.db2.gz AGEPXFCPNYYNHB-WMZOPIPTSA-N 1 0 302.418 2.399 10 0 DEAERO C[C@@H](C[NH2+]CCOc1cccc(Br)c1)N(C)C ZINC000045107473 183482014 /nfs/dbraw/zinc/48/20/14/183482014.db2.gz DXKCJGJAXSXKEU-NSHDSACASA-N 1 0 301.228 2.368 10 0 DEAERO CCCC[NH+]1CCC(NC(=O)N2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC000151407773 196676331 /nfs/dbraw/zinc/67/63/31/196676331.db2.gz FNJAWZGVDVPHAX-DOTOQJQBSA-N 1 0 323.481 2.461 10 0 DEAERO CCc1ncsc1-c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000274120087 211373277 /nfs/dbraw/zinc/37/32/77/211373277.db2.gz WJPXABCXEFUBSK-MWLCHTKSSA-N 1 0 306.391 2.291 10 0 DEAERO COC[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000104652603 194023143 /nfs/dbraw/zinc/02/31/43/194023143.db2.gz ZJIFWGGUUMHFAC-OAHLLOKOSA-N 1 0 304.434 2.392 10 0 DEAERO CC[NH+](CC)C[C@@H](C)NCc1sc(N(C)C)nc1OC ZINC000045692282 183524597 /nfs/dbraw/zinc/52/45/97/183524597.db2.gz NGAKSEJJXOHLOD-LLVKDONJSA-N 1 0 300.472 2.038 10 0 DEAERO C[N@H+](CCNC(=O)N[C@@H]1COc2ccccc21)C1CCCC1 ZINC000104793291 194040433 /nfs/dbraw/zinc/04/04/33/194040433.db2.gz ZCTCOQXXQCNWGA-OAHLLOKOSA-N 1 0 303.406 2.294 10 0 DEAERO COc1ccc2cc(C[N@@H+]3C[C@H](OC)C[C@H]3CO)ccc2c1 ZINC000284667100 218123771 /nfs/dbraw/zinc/12/37/71/218123771.db2.gz WTNITFKCSCMNBV-FUHWJXTLSA-N 1 0 301.386 2.430 10 0 DEAERO CC(C)(C)c1ncc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000105022231 194064555 /nfs/dbraw/zinc/06/45/55/194064555.db2.gz TVPNWVIHGSGTAK-CQSZACIVSA-N 1 0 317.437 2.476 10 0 DEAERO C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105181343 194082174 /nfs/dbraw/zinc/08/21/74/194082174.db2.gz QCLFKHWRDDVYAJ-GOEBONIOSA-N 1 0 317.433 2.203 10 0 DEAERO COc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C)cc1OC ZINC000284791127 218179412 /nfs/dbraw/zinc/17/94/12/218179412.db2.gz RIOYWOYULIMFBH-GUYCJALGSA-N 1 0 317.389 2.057 10 0 DEAERO COC[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000105233750 194088035 /nfs/dbraw/zinc/08/80/35/194088035.db2.gz HNQWATHWFYFOKL-IAGOWNOFSA-N 1 0 317.433 2.254 10 0 DEAERO CN1CCO[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000105471585 194105706 /nfs/dbraw/zinc/10/57/06/194105706.db2.gz SBBGWWKUYUECJZ-GFCCVEGCSA-N 1 0 306.378 2.156 10 0 DEAERO Cc1nc(CN2CCC[N@H+](CCc3ccccc3)CC2)no1 ZINC000105866747 194149735 /nfs/dbraw/zinc/14/97/35/194149735.db2.gz CKTYLGJEJUNLSU-UHFFFAOYSA-N 1 0 300.406 2.128 10 0 DEAERO CC[C@@H]1CN(Cc2cccc(NC(C)=O)c2)CC[N@@H+]1CCOC ZINC000105837394 194143792 /nfs/dbraw/zinc/14/37/92/194143792.db2.gz NYLJAFDZPNKRGH-GOSISDBHSA-N 1 0 319.449 2.188 10 0 DEAERO CCN(C(=O)[C@@H](C)[NH2+]CCn1cc(C)cn1)c1ccccc1 ZINC000105881366 194156219 /nfs/dbraw/zinc/15/62/19/194156219.db2.gz CPJQKQFFIBMNFB-OAHLLOKOSA-N 1 0 300.406 2.223 10 0 DEAERO Cc1ccc(N2CCC[N@H+](CCC(=O)OC(C)(C)C)CC2)nn1 ZINC000105909376 194165976 /nfs/dbraw/zinc/16/59/76/194165976.db2.gz WLPNZZXJJOUEBY-UHFFFAOYSA-N 1 0 320.437 2.029 10 0 DEAERO CC[C@@H]1CN(Cc2ccc(OC)c(F)c2)CC[N@@H+]1CCOC ZINC000106115859 194188203 /nfs/dbraw/zinc/18/82/03/194188203.db2.gz IICCGPICRIATEM-OAHLLOKOSA-N 1 0 310.413 2.377 10 0 DEAERO CCOc1ccnc(N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000106152774 194188508 /nfs/dbraw/zinc/18/85/08/194188508.db2.gz UMYRLDRJCRGINJ-UHFFFAOYSA-N 1 0 312.417 2.240 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCOCC1CC1 ZINC000106427206 194211200 /nfs/dbraw/zinc/21/12/00/194211200.db2.gz VHFPWPKCYOHALR-KRWDZBQOSA-N 1 0 304.434 2.092 10 0 DEAERO COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000106635290 194238774 /nfs/dbraw/zinc/23/87/74/194238774.db2.gz BJXODUXSCMCUDU-BPQIPLTHSA-N 1 0 314.429 2.495 10 0 DEAERO c1cn(-c2ccc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)cc2)cn1 ZINC000285285004 218366135 /nfs/dbraw/zinc/36/61/35/218366135.db2.gz JSRGQQLFULTHKQ-GOSISDBHSA-N 1 0 313.401 2.254 10 0 DEAERO Cc1nc(C)c([C@H](C)NS(=O)(=O)CCC[NH2+]C(C)C)s1 ZINC000049646257 183751650 /nfs/dbraw/zinc/75/16/50/183751650.db2.gz YDCGBUGLGNKHIT-NSHDSACASA-N 1 0 319.496 2.128 10 0 DEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)Cc1cccc(Br)c1 ZINC000050041900 183768877 /nfs/dbraw/zinc/76/88/77/183768877.db2.gz OZKHINQEXLMVJX-QWHCGFSZSA-N 1 0 311.223 2.378 10 0 DEAERO CCN(C(CC)(CC)C[NH3+])S(=O)(=O)c1ccc(F)cc1F ZINC000050093724 183772789 /nfs/dbraw/zinc/77/27/89/183772789.db2.gz CKAWAVRLAOERCX-UHFFFAOYSA-N 1 0 320.405 2.493 10 0 DEAERO C[C@@H](C(N)=S)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000109468068 194266956 /nfs/dbraw/zinc/26/69/56/194266956.db2.gz VFKFVKSAMFNMPX-JTQLQIEISA-N 1 0 315.845 2.271 10 0 DEAERO CC(C)(C(N)=S)[NH+]1CCN(Cc2cccc(F)c2F)CC1 ZINC000109470808 194267009 /nfs/dbraw/zinc/26/70/09/194267009.db2.gz RQGRFUHIZGZYTP-UHFFFAOYSA-N 1 0 313.417 2.147 10 0 DEAERO C[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000109849162 194292364 /nfs/dbraw/zinc/29/23/64/194292364.db2.gz HYXBOKRMLWHACD-LBPRGKRZSA-N 1 0 318.808 2.207 10 0 DEAERO CCC[NH2+]C[C@H](CCS(C)(=O)=O)Cc1ccccc1OC ZINC000052980348 183882972 /nfs/dbraw/zinc/88/29/72/183882972.db2.gz DNYOHWHDQLKXKF-CQSZACIVSA-N 1 0 313.463 2.288 10 0 DEAERO NC(=O)c1ccc(NCC[C@@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000110798509 194360195 /nfs/dbraw/zinc/36/01/95/194360195.db2.gz HBTJDDRXVVESIF-VIFPVBQESA-N 1 0 301.312 2.216 10 0 DEAERO C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000056492094 184013521 /nfs/dbraw/zinc/01/35/21/184013521.db2.gz CTEFURTWYWHNGK-ZBFHGGJFSA-N 1 0 320.408 2.458 10 0 DEAERO O=c1cc(C(F)(F)F)nc(NCCC[NH+]2CCCCC2)[nH]1 ZINC000057342493 184034284 /nfs/dbraw/zinc/03/42/84/184034284.db2.gz QIXUAFSXEYYIQY-UHFFFAOYSA-N 1 0 304.316 2.077 10 0 DEAERO CCc1nc(N(C)CCOC(C)C)sc1C[NH2+]CCOC ZINC000157738389 197211372 /nfs/dbraw/zinc/21/13/72/197211372.db2.gz XJYWELZRBXVHDS-UHFFFAOYSA-N 1 0 315.483 2.303 10 0 DEAERO Cc1noc2ncc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc12 ZINC000058908609 184131173 /nfs/dbraw/zinc/13/11/73/184131173.db2.gz GAFRXZAIGPYBOW-UHFFFAOYSA-N 1 0 314.389 2.232 10 0 DEAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)N1CCCc2ccccc21 ZINC000061041377 184160724 /nfs/dbraw/zinc/16/07/24/184160724.db2.gz XIBOFIPTHDVGJJ-UHFFFAOYSA-N 1 0 313.445 2.136 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000061298910 184167493 /nfs/dbraw/zinc/16/74/93/184167493.db2.gz LJMYCVYXBGWMMS-UHFFFAOYSA-N 1 0 310.419 2.350 10 0 DEAERO CC[NH2+]C(C)(C)C(=O)N1CCCN(Cc2cccs2)CC1 ZINC000061295238 184167583 /nfs/dbraw/zinc/16/75/83/184167583.db2.gz PQLIAIZISNTDCV-UHFFFAOYSA-N 1 0 309.479 2.171 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000061273970 184167860 /nfs/dbraw/zinc/16/78/60/184167860.db2.gz SUNVNPCJSJCAME-VIFPVBQESA-N 1 0 310.419 2.350 10 0 DEAERO CO[C@@H](CNC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000061859800 184190124 /nfs/dbraw/zinc/19/01/24/184190124.db2.gz MAXAYZKCCGDHTA-KRWDZBQOSA-N 1 0 317.433 2.254 10 0 DEAERO CC[NH+](CC)C[C@H](C)Nc1nc(Cl)nc(N2CCCC2)n1 ZINC000061541605 184174197 /nfs/dbraw/zinc/17/41/97/184174197.db2.gz CLLWRIQLOBLEAF-NSHDSACASA-N 1 0 312.849 2.267 10 0 DEAERO CCN(CC)c1nc(Cl)nc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000061540942 184174209 /nfs/dbraw/zinc/17/42/09/184174209.db2.gz NYOMLZDTDBLBKR-JTQLQIEISA-N 1 0 310.833 2.020 10 0 DEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1ccc(Cl)s1 ZINC000061592520 184175733 /nfs/dbraw/zinc/17/57/33/184175733.db2.gz AAVWTZPJTUMLDS-HZGVNTEJSA-N 1 0 318.855 2.394 10 0 DEAERO CCCn1c(S[C@@H](c2ccc(F)cc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594945 184176400 /nfs/dbraw/zinc/17/64/00/184176400.db2.gz XGSHLGAKDSNSME-JOYOIKCWSA-N 1 0 310.398 2.301 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(Br)o1 ZINC000061652040 184181212 /nfs/dbraw/zinc/18/12/12/184181212.db2.gz RKOULDOXVCVWCR-SECBINFHSA-N 1 0 301.184 2.208 10 0 DEAERO COCC[NH2+]CC1(CCCOCC(F)(F)F)CCOCC1 ZINC000061674663 184181605 /nfs/dbraw/zinc/18/16/05/184181605.db2.gz TVIIYPBVGZUGBM-UHFFFAOYSA-N 1 0 313.360 2.378 10 0 DEAERO CC(C)[NH2+][C@](C)(C(N)=O)c1ccc(F)c(Br)c1 ZINC000061689266 184182710 /nfs/dbraw/zinc/18/27/10/184182710.db2.gz BKUNDHFEZIJCPT-LBPRGKRZSA-N 1 0 303.175 2.287 10 0 DEAERO C[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2N)CCCO1 ZINC000061912876 184195101 /nfs/dbraw/zinc/19/51/01/184195101.db2.gz QHCJWALTPKARGY-LLVKDONJSA-N 1 0 311.813 2.362 10 0 DEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCN(CC(F)(F)F)CC2)o1 ZINC000061940775 184197212 /nfs/dbraw/zinc/19/72/12/184197212.db2.gz QMQORBULLIBWOP-AAEUAGOBSA-N 1 0 305.344 2.156 10 0 DEAERO C[C@H]([NH3+])[C@@H](c1cccs1)N1CCN(CC(F)(F)F)CC1 ZINC000061940826 184197229 /nfs/dbraw/zinc/19/72/29/184197229.db2.gz PXQFQVPOAMDEKF-JQWIXIFHSA-N 1 0 307.385 2.316 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CCN(CC(F)(F)F)CC1 ZINC000061940786 184197503 /nfs/dbraw/zinc/19/75/03/184197503.db2.gz XNAJJYRPILWVIJ-OCCSQVGLSA-N 1 0 301.356 2.255 10 0 DEAERO CN(c1cccc(C[NH3+])c1)S(=O)(=O)c1ccc(F)cc1F ZINC000061950489 184198372 /nfs/dbraw/zinc/19/83/72/184198372.db2.gz WJOZGQSYDBMQMX-UHFFFAOYSA-N 1 0 312.341 2.249 10 0 DEAERO CCC[C@H](C(N)=S)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062034497 184202168 /nfs/dbraw/zinc/20/21/68/184202168.db2.gz JRGOPNKVOAPXDX-CQSZACIVSA-N 1 0 311.495 2.023 10 0 DEAERO S=C1N=NC(N2CCC(C[NH+]3CCCC3)CC2)N1C1CC1 ZINC000062033322 184202237 /nfs/dbraw/zinc/20/22/37/184202237.db2.gz UGLOLYKBWWKVHU-UHFFFAOYSA-N 1 0 307.467 2.214 10 0 DEAERO CN(C)c1ccc(Br)cc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062114008 184206538 /nfs/dbraw/zinc/20/65/38/184206538.db2.gz HPSAZQPEXMMGPI-VIFPVBQESA-N 1 0 312.211 2.063 10 0 DEAERO CCCN[C@@H](CC[N@H+](CCOC)[C@@H](C)CC)C(=O)OCC ZINC000062522818 184241526 /nfs/dbraw/zinc/24/15/26/184241526.db2.gz DJAFNBPOXUHRNU-GJZGRUSLSA-N 1 0 302.459 2.055 10 0 DEAERO CC[NH+](CC)CCOCCNC(=O)CCc1ccc(C)cc1 ZINC000062321829 184230288 /nfs/dbraw/zinc/23/02/88/184230288.db2.gz DKWLMDSKVAJHOU-UHFFFAOYSA-N 1 0 306.450 2.402 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000062347628 184231408 /nfs/dbraw/zinc/23/14/08/184231408.db2.gz GSCNPROCDFMMOQ-LSDHHAIUSA-N 1 0 323.481 2.014 10 0 DEAERO CCC1(C)CCN(S(=O)(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC000062960062 184262614 /nfs/dbraw/zinc/26/26/14/184262614.db2.gz DXNSSMSMCRVSKO-UHFFFAOYSA-N 1 0 310.463 2.389 10 0 DEAERO CC(C)C[NH2+]Cc1c(N2CCOC[C@@H]2C)nc2sccn12 ZINC000062735812 184251600 /nfs/dbraw/zinc/25/16/00/184251600.db2.gz OTVRKBXIIHIDQT-LBPRGKRZSA-N 1 0 308.451 2.367 10 0 DEAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)N1CCC2(CCCC2)CC1 ZINC000062960093 184262338 /nfs/dbraw/zinc/26/23/38/184262338.db2.gz GSHOUTOIKZVQFF-AWEZNQCLSA-N 1 0 300.468 2.115 10 0 DEAERO CC[C@@]1(C(=O)NCc2ccc(Br)cc2)CC[NH2+]C1 ZINC000062889639 184258590 /nfs/dbraw/zinc/25/85/90/184258590.db2.gz TYZDGYCTNIMNPR-CQSZACIVSA-N 1 0 311.223 2.455 10 0 DEAERO NC(=S)c1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000062940855 184261554 /nfs/dbraw/zinc/26/15/54/184261554.db2.gz JWAIPNFGOMOLKX-CQSZACIVSA-N 1 0 307.438 2.130 10 0 DEAERO CC(C)[NH2+]Cc1nnnn1-c1cc(C(F)(F)F)ccc1F ZINC000062664955 184247206 /nfs/dbraw/zinc/24/72/06/184247206.db2.gz WRSIFLVNNNFZOP-UHFFFAOYSA-N 1 0 303.263 2.318 10 0 DEAERO COC(=O)CCCOc1ccc(CC[NH3+])cc1Br ZINC000062703794 184248273 /nfs/dbraw/zinc/24/82/73/184248273.db2.gz XXFPEGWUOPBIJS-UHFFFAOYSA-N 1 0 316.195 2.282 10 0 DEAERO Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063213893 184279073 /nfs/dbraw/zinc/27/90/73/184279073.db2.gz MTMGCTQLHBQYMX-QWHCGFSZSA-N 1 0 300.399 2.072 10 0 DEAERO CC(C)NC(=O)COc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000063457414 184282363 /nfs/dbraw/zinc/28/23/63/184282363.db2.gz QVUKKFZCNREFPN-UHFFFAOYSA-N 1 0 320.433 2.455 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(N)c(Cl)c(Cl)c2)C1 ZINC000062964319 184263120 /nfs/dbraw/zinc/26/31/20/184263120.db2.gz GZIQRKLLAWSWEI-SECBINFHSA-N 1 0 302.205 2.352 10 0 DEAERO C[NH+](C)[C@@H]1CCN(CC(=O)c2ccc(Br)cc2)C1 ZINC000062966536 184263140 /nfs/dbraw/zinc/26/31/40/184263140.db2.gz ZYBPCTBFWCMCKJ-CYBMUJFWSA-N 1 0 311.223 2.268 10 0 DEAERO Clc1ccc(NCC[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000062974831 184263515 /nfs/dbraw/zinc/26/35/15/184263515.db2.gz JXQMLKHAJVNZRA-INIZCTEOSA-N 1 0 309.841 2.158 10 0 DEAERO CS(=O)(=O)CCC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000063016756 184267063 /nfs/dbraw/zinc/26/70/63/184267063.db2.gz WBVREYWDGAGZMJ-NSHDSACASA-N 1 0 306.225 2.274 10 0 DEAERO C[C@@]([NH3+])(CCCS(C)(=O)=O)c1ccccc1Br ZINC000063016356 184267104 /nfs/dbraw/zinc/26/71/04/184267104.db2.gz LELOGFCIRLQFJR-GFCCVEGCSA-N 1 0 320.252 2.448 10 0 DEAERO CC(=O)Nc1nc(CN2CCC[C@H](C[NH2+]C(C)C)C2)cs1 ZINC000063139281 184273146 /nfs/dbraw/zinc/27/31/46/184273146.db2.gz UGUIMHJJIPOEFG-CYBMUJFWSA-N 1 0 310.467 2.312 10 0 DEAERO CCCn1cc(Br)cc1C(=O)NCC[C@@H](C)[NH3+] ZINC000063170210 184275576 /nfs/dbraw/zinc/27/55/76/184275576.db2.gz YNYWTSYIFLPRFT-SECBINFHSA-N 1 0 302.216 2.128 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000063174858 184276062 /nfs/dbraw/zinc/27/60/62/184276062.db2.gz YFYQHLPXPVNWFL-GHMZBOCLSA-N 1 0 309.218 2.152 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1cc(F)cc(Br)c1 ZINC000063172455 184276098 /nfs/dbraw/zinc/27/60/98/184276098.db2.gz IRTCALOALQERSV-MNOVXSKESA-N 1 0 301.159 2.198 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000063174860 184276159 /nfs/dbraw/zinc/27/61/59/184276159.db2.gz YFYQHLPXPVNWFL-MNOVXSKESA-N 1 0 309.218 2.152 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000063175999 184276807 /nfs/dbraw/zinc/27/68/07/184276807.db2.gz OQSCRXDDVQMHTA-PHDIDXHHSA-N 1 0 315.247 2.213 10 0 DEAERO CCC[NH+](CCC)CC(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000066216460 184397117 /nfs/dbraw/zinc/39/71/17/184397117.db2.gz MQQDXKBSHZZOMR-UHFFFAOYSA-N 1 0 305.422 2.497 10 0 DEAERO CC[C@@H](C)NC(=O)c1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000066212119 184397407 /nfs/dbraw/zinc/39/74/07/184397407.db2.gz ZRBVJBSMCXEYIZ-CYBMUJFWSA-N 1 0 305.422 2.495 10 0 DEAERO COc1ccccc1NC(=O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000066535393 184413638 /nfs/dbraw/zinc/41/36/38/184413638.db2.gz RFIKXJWEWCSCGI-HNNXBMFYSA-N 1 0 317.433 2.194 10 0 DEAERO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1C[C@H](O)COC(C)C ZINC000184015501 207363815 /nfs/dbraw/zinc/36/38/15/207363815.db2.gz XVBPLXSFVSFFMF-AEFFLSMTSA-N 1 0 306.450 2.373 10 0 DEAERO C[C@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2C[NH3+])C[C@@H]1C ZINC000068583052 184492769 /nfs/dbraw/zinc/49/27/69/184492769.db2.gz CTIRVBCWLDBZDM-XEZPLFJOSA-N 1 0 310.463 2.389 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@H](C)CSC)cc1 ZINC000069456981 184516693 /nfs/dbraw/zinc/51/66/93/184516693.db2.gz IDRAYGHSIDYKNC-LBPRGKRZSA-N 1 0 316.492 2.074 10 0 DEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cc3ccccc3s2)CCO1 ZINC000116784443 194769694 /nfs/dbraw/zinc/76/96/94/194769694.db2.gz QPQQRARXSWAKJT-ZDUSSCGKSA-N 1 0 304.415 2.304 10 0 DEAERO CCC[C@@H](C(=O)NCCc1nc2cc(F)ccc2n1C)[NH+](C)C ZINC000162050681 197540554 /nfs/dbraw/zinc/54/05/54/197540554.db2.gz YAFWMIHHQAGNES-HNNXBMFYSA-N 1 0 320.412 2.101 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](c3cccs3)C2)C1 ZINC000119960277 195070570 /nfs/dbraw/zinc/07/05/70/195070570.db2.gz BMPNIOUUHAHZMO-KGLIPLIRSA-N 1 0 323.462 2.315 10 0 DEAERO CCC[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000119994611 195076872 /nfs/dbraw/zinc/07/68/72/195076872.db2.gz KOAKQNQNFUDYDP-IAGOWNOFSA-N 1 0 304.434 2.187 10 0 DEAERO CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000120052126 195087480 /nfs/dbraw/zinc/08/74/80/195087480.db2.gz HCXCHDVFIZAHTM-CYBMUJFWSA-N 1 0 311.385 2.460 10 0 DEAERO Cc1nc(C(F)(F)F)ccc1C(=O)N(C)CCC[NH+](C)C ZINC000539416820 285076687 /nfs/dbraw/zinc/07/66/87/285076687.db2.gz BSKURGICMGUNNJ-UHFFFAOYSA-N 1 0 303.328 2.433 10 0 DEAERO CC[C@@H]1C[NH2+][C@H](c2ccccc2)CN1C1CCS(=O)CC1 ZINC000159195405 197335538 /nfs/dbraw/zinc/33/55/38/197335538.db2.gz RWFRRTJKZAFQBW-BAQZJKQNSA-N 1 0 306.475 2.323 10 0 DEAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C1CCS(=O)CC1 ZINC000159202029 197335344 /nfs/dbraw/zinc/33/53/44/197335344.db2.gz OTIDKKLAIRFYID-LNWMTBOKSA-N 1 0 300.512 2.242 10 0 DEAERO CC[C@H](C)[C@@H]1CN(CC[S@](C)=O)[C@H](c2ccccc2)C[NH2+]1 ZINC000159180323 197334104 /nfs/dbraw/zinc/33/41/04/197334104.db2.gz VNKWPPMDHKJSLW-WFNJMBFTSA-N 1 0 308.491 2.426 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@H]2C[C@H]2C)cc(C[NH2+]C(C)C)c1F ZINC000159110464 197328571 /nfs/dbraw/zinc/32/85/71/197328571.db2.gz SLRIBBTYAVBLIC-YGRLFVJLSA-N 1 0 314.426 2.319 10 0 DEAERO Cc1cc(S(=O)(=O)NCc2ccccc2)cc(C[NH3+])c1F ZINC000159089343 197326694 /nfs/dbraw/zinc/32/66/94/197326694.db2.gz CRYRZSANJGOMOR-UHFFFAOYSA-N 1 0 308.378 2.071 10 0 DEAERO CC[C@@H]1CCCN1S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159075497 197324670 /nfs/dbraw/zinc/32/46/70/197324670.db2.gz VZQMZDIAXSZRIF-GFCCVEGCSA-N 1 0 300.399 2.156 10 0 DEAERO [NH3+][C@H](C[S@](=O)c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000158983720 197316482 /nfs/dbraw/zinc/31/64/82/197316482.db2.gz XVZBBOOKAOJFNZ-LPVDOIAESA-N 1 0 308.230 2.465 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Nc1cc(C)c(Br)cn1 ZINC000158970463 197315069 /nfs/dbraw/zinc/31/50/69/197315069.db2.gz PYVNEKUBCVWRQY-VIFPVBQESA-N 1 0 300.200 2.466 10 0 DEAERO Cc1cc(CC[NH3+])cnc1Sc1nnc2n1CCCCC2 ZINC000158957959 197314084 /nfs/dbraw/zinc/31/40/84/197314084.db2.gz NUJBEUDGLIGOMQ-UHFFFAOYSA-N 1 0 303.435 2.360 10 0 DEAERO COCCn1ncc(Br)c1[C@@H]([NH3+])C1CCCC1 ZINC000158834099 197305720 /nfs/dbraw/zinc/30/57/20/197305720.db2.gz NNZOEAFDRDVNGF-NSHDSACASA-N 1 0 302.216 2.482 10 0 DEAERO C[C@H]1C[C@@H](n2c(N)nc3cc(Br)cnc32)CC[N@@H+]1C ZINC000158663832 197292805 /nfs/dbraw/zinc/29/28/05/197292805.db2.gz UJKCOGRZSFFCPL-WPRPVWTQSA-N 1 0 324.226 2.431 10 0 DEAERO C[C@@H]1OCC[C@H]1N(C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000158628037 197289333 /nfs/dbraw/zinc/28/93/33/197289333.db2.gz KJCNMNAPCAYISQ-AEJSXWLSSA-N 1 0 303.200 2.151 10 0 DEAERO C[C@H]1C[C@H](Nc2nc3ccc(Br)cn3n2)CC[N@@H+]1C ZINC000158443786 197273385 /nfs/dbraw/zinc/27/33/85/197273385.db2.gz YEEBLHYKBGULJI-GXSJLCMTSA-N 1 0 324.226 2.386 10 0 DEAERO C[C@H]1C[C@H](NC(=O)C2(C(N)=S)CCCCCC2)CC[N@@H+]1C ZINC000157998814 197234111 /nfs/dbraw/zinc/23/41/11/197234111.db2.gz RANYRRVJPMRLML-QWHCGFSZSA-N 1 0 311.495 2.212 10 0 DEAERO Nc1cc(F)c(Br)cc1N1CC[NH+](C2CC2)CC1 ZINC000157815932 197218087 /nfs/dbraw/zinc/21/80/87/197218087.db2.gz MEQKCYLDVOJMHG-UHFFFAOYSA-N 1 0 314.202 2.455 10 0 DEAERO CC(C)C[NH2+]C[C@@]1(CN(C)CCOC(C)C)CCCOC1 ZINC000157587168 197199655 /nfs/dbraw/zinc/19/96/55/197199655.db2.gz YAWURIGEEUPWGF-QGZVFWFLSA-N 1 0 300.487 2.386 10 0 DEAERO CCN[C@](C)(C[C@H](C)[N@H+](C)CCOC(C)C)C(=O)OCC ZINC000157527936 197194564 /nfs/dbraw/zinc/19/45/64/197194564.db2.gz JSCLCPAMERVPPO-GOEBONIOSA-N 1 0 302.459 2.053 10 0 DEAERO CCNc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)nc(SC)n1 ZINC000157403728 197184131 /nfs/dbraw/zinc/18/41/31/197184131.db2.gz YJWIJSJLJCJIIG-RYUDHWBXSA-N 1 0 307.467 2.303 10 0 DEAERO COc1csc([C@@H]([NH3+])c2c(Br)cnn2C)c1 ZINC000157463997 197189204 /nfs/dbraw/zinc/18/92/04/197189204.db2.gz TVERKNDWOUQHRC-SECBINFHSA-N 1 0 302.197 2.301 10 0 DEAERO Cc1nnc(CN2CCC[C@H]([NH+]3CCCC3)CC2)n1C1CC1 ZINC000157086054 197161293 /nfs/dbraw/zinc/16/12/93/197161293.db2.gz FLQGFQAECVTVDI-HNNXBMFYSA-N 1 0 303.454 2.372 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@@]1(O)C1(C[NH3+])CCCCCCC1 ZINC000156881467 197147334 /nfs/dbraw/zinc/14/73/34/197147334.db2.gz VBOZPCKRXKIFLJ-ZFWWWQNUSA-N 1 0 303.468 2.004 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000156762406 197138889 /nfs/dbraw/zinc/13/88/89/197138889.db2.gz IZMQYWBKJGELRX-OAHLLOKOSA-N 1 0 321.469 2.275 10 0 DEAERO C[NH+]1CCC(OC(=O)c2cccc(N)c2Br)CC1 ZINC000156244449 197097674 /nfs/dbraw/zinc/09/76/74/197097674.db2.gz XOEOEWIWQPKQJI-UHFFFAOYSA-N 1 0 313.195 2.282 10 0 DEAERO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000156112729 197087718 /nfs/dbraw/zinc/08/77/18/197087718.db2.gz GXFRUDYHDWMAEE-AWEZNQCLSA-N 1 0 310.463 2.404 10 0 DEAERO [NH3+]Cc1cccc(NC(=O)C[S@](=O)c2cccc(F)c2)c1 ZINC000156085393 197085787 /nfs/dbraw/zinc/08/57/87/197085787.db2.gz GYGOHVZNEYAHBB-OAQYLSRUSA-N 1 0 306.362 2.031 10 0 DEAERO COc1ccc(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1F ZINC000155544615 197064581 /nfs/dbraw/zinc/06/45/81/197064581.db2.gz KCBGNVRLJPATDJ-DOMZBBRYSA-N 1 0 308.397 2.222 10 0 DEAERO CC(C)CSCCC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000155255653 197036812 /nfs/dbraw/zinc/03/68/12/197036812.db2.gz BHEDPLYKACFXHP-HOTGVXAUSA-N 1 0 300.512 2.418 10 0 DEAERO CC[NH+](CC)CCCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000155067784 197019229 /nfs/dbraw/zinc/01/92/29/197019229.db2.gz ZBVCXBBAOJAYPO-UHFFFAOYSA-N 1 0 307.442 2.031 10 0 DEAERO CC(C)c1cc(C(=O)NCc2cccnc2-n2ccnc2)no1 ZINC000120469510 195172164 /nfs/dbraw/zinc/17/21/64/195172164.db2.gz HAMXIJWJHUJXEQ-UHFFFAOYSA-N 1 0 311.345 2.309 10 0 DEAERO Cc1noc2nc(C)cc(C(=O)N3CCC([NH+](C)C)CC3)c12 ZINC000120660225 195210753 /nfs/dbraw/zinc/21/07/53/195210753.db2.gz AQSFURXKGBJMBR-UHFFFAOYSA-N 1 0 302.378 2.006 10 0 DEAERO CC(C)OC(=O)CCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000120671761 195213537 /nfs/dbraw/zinc/21/35/37/195213537.db2.gz SFZSIVCOTOVUSO-INIZCTEOSA-N 1 0 320.433 2.007 10 0 DEAERO Cc1ccc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000120755735 195231552 /nfs/dbraw/zinc/23/15/52/195231552.db2.gz LQBXBTSGKVXHRK-CABCVRRESA-N 1 0 317.433 2.183 10 0 DEAERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)Cc1c(C)nn(C)c1C ZINC000120714862 195222836 /nfs/dbraw/zinc/22/28/36/195222836.db2.gz XGKMUZWGRMCZDX-CHWSQXEVSA-N 1 0 308.470 2.205 10 0 DEAERO CCC1=N[C@]2(CC[C@H]3C[N@H+](CC(C)C)C[C@H]32)C(=O)N1CCOC ZINC000248255205 257107221 /nfs/dbraw/zinc/10/72/21/257107221.db2.gz UKGDWWWGRZAJDL-DAYGRLMNSA-N 1 0 321.465 2.020 10 0 DEAERO CC[N@@H+]1C[C@@H](COC)[C@@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC000248131747 257108419 /nfs/dbraw/zinc/10/84/19/257108419.db2.gz BDFOOCUHDOTYFD-LPHOPBHVSA-N 1 0 316.445 2.425 10 0 DEAERO C[N@@H+]1C[C@@H](COCC2CC2)[C@@]2(CCN(Cc3nccs3)C2)C1 ZINC000248089602 257109773 /nfs/dbraw/zinc/10/97/73/257109773.db2.gz UPLOLUJZAOBOBG-RDJZCZTQSA-N 1 0 321.490 2.323 10 0 DEAERO Cc1noc([C@@H]2CC[C@H]3[C@H](CC[N@@H+]3Cc3cccnc3)O2)n1 ZINC000248051636 257109844 /nfs/dbraw/zinc/10/98/44/257109844.db2.gz XJBHFEHBKRVRIT-KKUMJFAQSA-N 1 0 300.362 2.268 10 0 DEAERO CC1=N[C@]2(CC[C@H]3C[N@H+](Cc4ccccc4F)C[C@H]32)C(=O)N1C ZINC000248021146 257111794 /nfs/dbraw/zinc/11/17/94/257111794.db2.gz HZWBJICZUHIVIB-JOQOYGCGSA-N 1 0 315.392 2.297 10 0 DEAERO CN(C)C(=O)[C@@H]1Cn2cccc2C[N@H+](Cc2ccsc2)C1 ZINC000247975131 257113566 /nfs/dbraw/zinc/11/35/66/257113566.db2.gz IIQULZYSUUKHRG-AWEZNQCLSA-N 1 0 303.431 2.270 10 0 DEAERO c1cc(CN2C[C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C2)ccn1 ZINC000247954415 257113824 /nfs/dbraw/zinc/11/38/24/257113824.db2.gz ZKXRGQZQRGZTND-RCCFBDPRSA-N 1 0 301.434 2.014 10 0 DEAERO c1ccc(CN2C[C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C2)nc1 ZINC000247876283 257115097 /nfs/dbraw/zinc/11/50/97/257115097.db2.gz ACOZSRMIEDIZFJ-LZLYRXPVSA-N 1 0 301.434 2.014 10 0 DEAERO CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCOC)o1 ZINC000247904062 257115568 /nfs/dbraw/zinc/11/55/68/257115568.db2.gz WPPPSGCXIPPJOS-HZPDHXFCSA-N 1 0 306.406 2.054 10 0 DEAERO Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@@H+]3CC2CCOCC2)o1 ZINC000247903285 257115602 /nfs/dbraw/zinc/11/56/02/257115602.db2.gz JIZKPCHELZUOGG-CVEARBPZSA-N 1 0 318.417 2.303 10 0 DEAERO COCCOc1cccc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000544535231 285354953 /nfs/dbraw/zinc/35/49/53/285354953.db2.gz PHZXSWSAABQJBL-UHFFFAOYSA-N 1 0 309.410 2.127 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000544536209 285355604 /nfs/dbraw/zinc/35/56/04/285355604.db2.gz QGAGYIGBYUXUKX-UHFFFAOYSA-N 1 0 310.825 2.228 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)Oc1ccccc1 ZINC000074010950 184950803 /nfs/dbraw/zinc/95/08/03/184950803.db2.gz OQGRBBZJXODHES-CABCVRRESA-N 1 0 307.438 2.483 10 0 DEAERO CC1=C(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCCO1 ZINC000121584083 195309711 /nfs/dbraw/zinc/30/97/11/195309711.db2.gz IOUHFKDXXYUYPP-MRXNPFEDSA-N 1 0 302.418 2.360 10 0 DEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(Cl)ncc1Cl ZINC000121822941 195354942 /nfs/dbraw/zinc/35/49/42/195354942.db2.gz LXRYGFOAKIWNMX-SECBINFHSA-N 1 0 302.205 2.412 10 0 DEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(Cl)ncc1Cl ZINC000121822772 195355284 /nfs/dbraw/zinc/35/52/84/195355284.db2.gz LXRYGFOAKIWNMX-VIFPVBQESA-N 1 0 302.205 2.412 10 0 DEAERO CC[C@@H]1N[C@H](c2cccs2)N(CC2CC[NH+](C)CC2)C1=O ZINC000122005046 195389840 /nfs/dbraw/zinc/38/98/40/195389840.db2.gz GKIRXBSJPFQTET-ZFWWWQNUSA-N 1 0 307.463 2.299 10 0 DEAERO Cc1nc(-c2ncccc2Br)nc(C)c1CC[NH3+] ZINC000122049863 195393759 /nfs/dbraw/zinc/39/37/59/195393759.db2.gz PPUHFIQAAVGTLG-UHFFFAOYSA-N 1 0 307.195 2.419 10 0 DEAERO COCc1c(Br)cccc1NC(=O)C1(C[NH3+])CC1 ZINC000122126042 195405347 /nfs/dbraw/zinc/40/53/47/195405347.db2.gz MKLMANZOXQJUOV-UHFFFAOYSA-N 1 0 313.195 2.273 10 0 DEAERO COc1ccccc1OC[C@@H](O)C[NH2+]C[C@]1(C)CCCS1 ZINC000122209457 195419183 /nfs/dbraw/zinc/41/91/83/195419183.db2.gz FBVPUOOLXKYCIT-BBRMVZONSA-N 1 0 311.447 2.310 10 0 DEAERO Cc1cc(NC(=O)[C@@H](C)CCC[NH3+])ncc1Br ZINC000122802994 195503627 /nfs/dbraw/zinc/50/36/27/195503627.db2.gz ZCGSXVREXHDLME-QMMMGPOBSA-N 1 0 300.200 2.466 10 0 DEAERO C[C@H]1[NH2+]CCC[C@H]1Nc1cc(Br)ccc1C(N)=O ZINC000124624153 195661896 /nfs/dbraw/zinc/66/18/96/195661896.db2.gz DAZWOJNXBMYRGD-LDYMZIIASA-N 1 0 312.211 2.100 10 0 DEAERO CNC(=O)NC(=O)[C@H](C)Sc1ccc(C[NH2+]C(C)C)cc1 ZINC000124133311 195607223 /nfs/dbraw/zinc/60/72/23/195607223.db2.gz JRLUNNMRGTZTNM-NSHDSACASA-N 1 0 309.435 2.121 10 0 DEAERO CC(C)[C@@H]1C[NH+]=C(NCc2ccc(S(C)(=O)=O)cc2)S1 ZINC000125434304 195749564 /nfs/dbraw/zinc/74/95/64/195749564.db2.gz LGZACTOSOIPCHO-ZDUSSCGKSA-N 1 0 312.460 2.307 10 0 DEAERO CCc1nn(CC)c(C[C@@]2([NH3+])CCO[C@H]2C)c1Br ZINC000126018410 195803272 /nfs/dbraw/zinc/80/32/72/195803272.db2.gz OPPQKVNDLRCJFI-ZANVPECISA-N 1 0 316.243 2.277 10 0 DEAERO [NH3+]Cc1ccc(S(=O)(=O)NCCc2ccccc2)c(Cl)c1 ZINC000126153019 195814390 /nfs/dbraw/zinc/81/43/90/195814390.db2.gz XVSHTZUNVLHVEW-UHFFFAOYSA-N 1 0 324.833 2.320 10 0 DEAERO C[C@H](CNS(=O)(=O)c1ccsc1C[NH2+]C1CC1)C1CC1 ZINC000128290872 195952977 /nfs/dbraw/zinc/95/29/77/195952977.db2.gz WTFVGFPXKWZUEC-SNVBAGLBSA-N 1 0 314.476 2.325 10 0 DEAERO CCn1c(C[C@@H]2COCC[NH2+]2)nc2cc(Br)ccc21 ZINC000128364198 195958191 /nfs/dbraw/zinc/95/81/91/195958191.db2.gz KWIKHACRZVNMFX-LLVKDONJSA-N 1 0 324.222 2.350 10 0 DEAERO COC(=O)C1CCC([NH2+]CCCc2c(C)nn(C)c2C)CC1 ZINC000192446356 533281193 /nfs/dbraw/zinc/28/11/93/533281193.db2.gz XWSJICBTXHWNCO-UHFFFAOYSA-N 1 0 307.438 2.291 10 0 DEAERO COc1ccc2ccccc2c1C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000190249828 533338750 /nfs/dbraw/zinc/33/87/50/533338750.db2.gz TZKHSZSAIWJWCQ-OAHLLOKOSA-N 1 0 314.429 2.347 10 0 DEAERO CC(C)Cn1cc(CN2C[C@]3(CCOC3)OC(C)(C)C2)cn1 ZINC000369546230 131105312 /nfs/dbraw/zinc/10/53/12/131105312.db2.gz NWJHJXGDFLOGOK-KRWDZBQOSA-N 1 0 307.438 2.309 10 0 DEAERO Cn1c2ccc(CN3CC[C@H]([NH+]4CCCC4)C3)cc2sc1=O ZINC000194998903 132543258 /nfs/dbraw/zinc/54/32/58/132543258.db2.gz ZMWSAXZALLTSIF-AWEZNQCLSA-N 1 0 317.458 2.270 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1cc(F)ccc1F ZINC000245476200 132565291 /nfs/dbraw/zinc/56/52/91/132565291.db2.gz SPPVOHVBRBDERE-WFASDCNBSA-N 1 0 323.387 2.385 10 0 DEAERO C[C@@H](NC(=O)NCc1ccc2cc[nH]c2n1)C(C)(C)C[NH+](C)C ZINC000357879161 133106682 /nfs/dbraw/zinc/10/66/82/133106682.db2.gz ISSVFBJJLPBJRB-GFCCVEGCSA-N 1 0 317.437 2.338 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)NCCOc2ccccc2F)CC1 ZINC000358180932 133126463 /nfs/dbraw/zinc/12/64/63/133126463.db2.gz CCWRGXBUNVIGEB-UHFFFAOYSA-N 1 0 321.396 2.156 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)Oc1cccc(OC)c1 ZINC000359606300 133134379 /nfs/dbraw/zinc/13/43/79/133134379.db2.gz WFZHUJFFUJERRM-WMLDXEAASA-N 1 0 320.433 2.453 10 0 DEAERO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000360075919 133160078 /nfs/dbraw/zinc/16/00/78/133160078.db2.gz VXTKHRYQJAOFOO-AWEZNQCLSA-N 1 0 323.485 2.413 10 0 DEAERO Cc1oc2ccccc2c1C[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC000362032968 133206350 /nfs/dbraw/zinc/20/63/50/133206350.db2.gz RFXHFONIYIKFJR-HNNXBMFYSA-N 1 0 324.384 2.370 10 0 DEAERO COCCO[C@H]1COCC[C@H]1[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000362513327 133235000 /nfs/dbraw/zinc/23/50/00/133235000.db2.gz UYHYSIIOXGWKJF-SYNTWQANSA-N 1 0 323.408 2.482 10 0 DEAERO Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368165238 133263250 /nfs/dbraw/zinc/26/32/50/133263250.db2.gz VNOOTIYUUKXRBC-CGTJXYLNSA-N 1 0 324.428 2.359 10 0 DEAERO Cc1cc(N2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)cc[nH+]1 ZINC000376437454 133294551 /nfs/dbraw/zinc/29/45/51/133294551.db2.gz USTMTJAJGUFPQW-ZDUSSCGKSA-N 1 0 313.405 2.199 10 0 DEAERO c1cnc2c(c1)nccc2N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000563977671 292082854 /nfs/dbraw/zinc/08/28/54/292082854.db2.gz MZTXKSDGQZWEDO-YOEHRIQHSA-N 1 0 312.417 2.107 10 0 DEAERO c1cnc2c(c1)nccc2NCC1([NH+]2CCCC2)CCOCC1 ZINC000549122219 285831009 /nfs/dbraw/zinc/83/10/09/285831009.db2.gz PMRRQONCFIYYSU-UHFFFAOYSA-N 1 0 312.417 2.109 10 0 DEAERO CC[C@H](C)CSCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000123953893 144704955 /nfs/dbraw/zinc/70/49/55/144704955.db2.gz BEFDJMQNNFXILJ-LSDHHAIUSA-N 1 0 316.511 2.239 10 0 DEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)C[C@H](C)O ZINC000124248703 144707829 /nfs/dbraw/zinc/70/78/29/144707829.db2.gz JXBIZDFYNZUERJ-LSDHHAIUSA-N 1 0 313.486 2.203 10 0 DEAERO COC[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)C1CC1 ZINC000179745066 144880511 /nfs/dbraw/zinc/88/05/11/144880511.db2.gz ORKJNGLOOUZEBK-MRXNPFEDSA-N 1 0 305.422 2.392 10 0 DEAERO CCOc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000182023438 144912939 /nfs/dbraw/zinc/91/29/39/144912939.db2.gz BVWOFCNLRIUDQX-CQSZACIVSA-N 1 0 318.421 2.430 10 0 DEAERO C[C@H](NC(=O)c1coc(C[NH3+])c1)c1noc(-c2ccccc2)n1 ZINC000187965858 145005334 /nfs/dbraw/zinc/00/53/34/145005334.db2.gz MILIVXYCEYXHOG-JTQLQIEISA-N 1 0 312.329 2.279 10 0 DEAERO CC(C)COc1ccc(CCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188534698 145013458 /nfs/dbraw/zinc/01/34/58/145013458.db2.gz OGKOZYVNTCXUQR-GOEBONIOSA-N 1 0 308.397 2.080 10 0 DEAERO COc1ccc(O)cc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000188744028 145016990 /nfs/dbraw/zinc/01/69/90/145016990.db2.gz PVXMWTJWPFACOG-CHWSQXEVSA-N 1 0 306.406 2.251 10 0 DEAERO FC(F)(F)C(F)(F)COCCN1CCC[N@@H+](C2CC2)CC1 ZINC000188953376 145019848 /nfs/dbraw/zinc/01/98/48/145019848.db2.gz LOLMMYACEQSISH-UHFFFAOYSA-N 1 0 316.314 2.371 10 0 DEAERO CC[C@@H](C)CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000189773282 145033930 /nfs/dbraw/zinc/03/39/30/145033930.db2.gz CIOKLCXTQPHXNH-VPSFDDGASA-N 1 0 307.482 2.192 10 0 DEAERO Cc1cccc2nc(C3CC[NH+](CCOCCO)CC3)oc21 ZINC000189805275 145034465 /nfs/dbraw/zinc/03/44/65/145034465.db2.gz NRLIZPURHMAXGF-UHFFFAOYSA-N 1 0 304.390 2.325 10 0 DEAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000189841496 145035103 /nfs/dbraw/zinc/03/51/03/145035103.db2.gz MPASIHGHNIXHQJ-HZPDHXFCSA-N 1 0 321.469 2.350 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190432820 145042972 /nfs/dbraw/zinc/04/29/72/145042972.db2.gz MWBCOLDOKJDCRZ-CQSZACIVSA-N 1 0 322.478 2.420 10 0 DEAERO Cc1cc(NC(=O)CN2CC3(CCCC3)OC(C)(C)C2)no1 ZINC000190967080 145051015 /nfs/dbraw/zinc/05/10/15/145051015.db2.gz KHIHZFVQRQYGOT-UHFFFAOYSA-N 1 0 307.394 2.345 10 0 DEAERO O[C@H](C[NH+]1CCC(Nc2cccnn2)CC1)C1CCCCC1 ZINC000191333974 145056419 /nfs/dbraw/zinc/05/64/19/145056419.db2.gz DYUIXGXITFSGFU-MRXNPFEDSA-N 1 0 304.438 2.294 10 0 DEAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CCS[C@H](CC)C2)CC1 ZINC000191444622 145058156 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O=C(N[C@@H]1CCCC[C@H]1n1cccn1)C1CC[NH+](C2CC2)CC1 ZINC000192670386 145077218 /nfs/dbraw/zinc/07/72/18/145077218.db2.gz QILWRXGJPZGXQR-IAGOWNOFSA-N 1 0 316.449 2.357 10 0 DEAERO CC(C)CCN(CCC(C)C)C(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193605001 145088116 /nfs/dbraw/zinc/08/81/16/145088116.db2.gz LRCTWUOVHITBNK-HDICACEKSA-N 1 0 323.525 2.401 10 0 DEAERO CSc1ccccc1NC(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193622802 145088192 /nfs/dbraw/zinc/08/81/92/145088192.db2.gz OBNQQQYIUASVQK-MCIONIFRSA-N 1 0 319.474 2.229 10 0 DEAERO CCOc1ccc(C(C)=O)cc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193644199 145088737 /nfs/dbraw/zinc/08/87/37/145088737.db2.gz AHQSTRQJKWQOBZ-CALCHBBNSA-N 1 0 302.418 2.281 10 0 DEAERO Cc1nc(C)c(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)s1 ZINC000193669348 145089023 /nfs/dbraw/zinc/08/90/23/145089023.db2.gz KLLQUYSJAOMPLI-NSHDSACASA-N 1 0 323.462 2.085 10 0 DEAERO O=C(NCCC1CCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000193832961 145091155 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Cc1csc(=O)n1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246488777 145103892 /nfs/dbraw/zinc/10/38/92/145103892.db2.gz HAAOSWFDKFLUMG-UONOGXRCSA-N 1 0 322.430 2.399 10 0 DEAERO Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1C ZINC000246591102 145107753 /nfs/dbraw/zinc/10/77/53/145107753.db2.gz YWPFYJWYMDAAGJ-CJNGLKHVSA-N 1 0 317.433 2.087 10 0 DEAERO CC(C)[C@@H](NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246710109 145111576 /nfs/dbraw/zinc/11/15/76/145111576.db2.gz UJYMOIGSMDTESQ-PKOBYXMFSA-N 1 0 315.461 2.280 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(C)s1 ZINC000246774910 145114071 /nfs/dbraw/zinc/11/40/71/145114071.db2.gz BAAHWJDCYRRTFF-ZWNOBZJWSA-N 1 0 314.476 2.222 10 0 DEAERO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246797597 145114674 /nfs/dbraw/zinc/11/46/74/145114674.db2.gz RNMITYDLUVLJAH-RDJZCZTQSA-N 1 0 320.408 2.285 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)cn3)CC[C@H]21 ZINC000246843377 145116461 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CCOCC[N@@H+]1CCN(Cc2ccc3c(c2)CCO3)C[C@H]1C ZINC000247744399 145143690 /nfs/dbraw/zinc/14/36/90/145143690.db2.gz XPVHPTPXXIJKKB-OAHLLOKOSA-N 1 0 304.434 2.164 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3ccc(F)cc3)CC[C@H]21 ZINC000248121957 145148413 /nfs/dbraw/zinc/14/84/13/145148413.db2.gz NMVILLZAVZWTBP-XJKSGUPXSA-N 1 0 306.381 2.147 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(Cc3cnn(-c4ccccc4)n3)CC[C@H]21 ZINC000248161579 145149375 /nfs/dbraw/zinc/14/93/75/145149375.db2.gz SGFNAQZOKAWWDR-MAUKXSAKSA-N 1 0 311.433 2.183 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cnccn1 ZINC000248201107 145149781 /nfs/dbraw/zinc/14/97/81/145149781.db2.gz YSNRKOGUUCXRPV-YQQAZPJKSA-N 1 0 311.433 2.433 10 0 DEAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cnn(-c4ccccc4)c3)CC[C@H]21 ZINC000248201771 145150377 /nfs/dbraw/zinc/15/03/77/145150377.db2.gz YYFMERUZRPTMCZ-MAUKXSAKSA-N 1 0 324.428 2.429 10 0 DEAERO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C[C@@](C)(O)C(C)C)C2)nc1 ZINC000248424093 145154246 /nfs/dbraw/zinc/15/42/46/145154246.db2.gz HCPGIRWSAOVSAS-MAUKXSAKSA-N 1 0 319.449 2.448 10 0 DEAERO C[C@@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)[C@@H]2CCCC[C@H]21 ZINC000248421794 145154335 /nfs/dbraw/zinc/15/43/35/145154335.db2.gz MKTJZWKOZSGDCL-IXDOHACOSA-N 1 0 323.481 2.319 10 0 DEAERO Cc1cccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1F ZINC000248462546 145156002 /nfs/dbraw/zinc/15/60/02/145156002.db2.gz YKKRUUMEOONYBI-OLZOCXBDSA-N 1 0 314.426 2.141 10 0 DEAERO C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCCO1 ZINC000248775835 145166700 /nfs/dbraw/zinc/16/67/00/145166700.db2.gz TWPXMWJWRXQPKD-NUEKZKHPSA-N 1 0 305.422 2.156 10 0 DEAERO CN(C)c1ccncc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248759947 145167025 /nfs/dbraw/zinc/16/70/25/145167025.db2.gz YAJXNHXTJXCUFB-FUHWJXTLSA-N 1 0 324.428 2.323 10 0 DEAERO C[C@@H]1CN(CC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)CCO1 ZINC000248888838 145172136 /nfs/dbraw/zinc/17/21/36/145172136.db2.gz AODQYEZDLIBYLO-BHIYHBOVSA-N 1 0 318.461 2.295 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C12CCOCC2 ZINC000248911820 145173740 /nfs/dbraw/zinc/17/37/40/145173740.db2.gz CGDHDSJRLWFMGH-HYVNUMGLSA-N 1 0 308.466 2.035 10 0 DEAERO CO[C@H]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000249005865 145176141 /nfs/dbraw/zinc/17/61/41/145176141.db2.gz HZZQUCCLYISGFF-WCVJEAGWSA-N 1 0 309.454 2.211 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc2c(c1)CCC(=O)N2C ZINC000249401350 145183937 /nfs/dbraw/zinc/18/39/37/145183937.db2.gz CERLLIFUMLPCBC-YOEHRIQHSA-N 1 0 313.445 2.264 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249486004 145185367 /nfs/dbraw/zinc/18/53/67/145185367.db2.gz YGFIMBLTGUALJV-BZUAXINKSA-N 1 0 313.486 2.155 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249539427 145186463 /nfs/dbraw/zinc/18/64/63/145186463.db2.gz DMSOZEYYPLMERN-DARAHFNDSA-N 1 0 324.490 2.449 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2F)CC[C@@H]1C ZINC000251602784 145194851 /nfs/dbraw/zinc/19/48/51/145194851.db2.gz FVWAKVPPKJNRKK-YSVLISHTSA-N 1 0 311.397 2.060 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC([C@H]3CCCO3)CC2)C1 ZINC000251898659 145196754 /nfs/dbraw/zinc/19/67/54/145196754.db2.gz QVBLMDFOVQTCAW-DJIMGWMZSA-N 1 0 323.481 2.316 10 0 DEAERO CCCN(CC(=O)N(CC)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000261549261 145207028 /nfs/dbraw/zinc/20/70/28/145207028.db2.gz OKZAVFCGEQWZSJ-UHFFFAOYSA-N 1 0 317.477 2.499 10 0 DEAERO C[NH2+][C@H](C)Cc1noc(-c2cnc(-c3ccncc3)s2)n1 ZINC000261616215 145210647 /nfs/dbraw/zinc/21/06/47/145210647.db2.gz BJVARJIMPWYDAZ-SECBINFHSA-N 1 0 301.375 2.406 10 0 DEAERO C/C=C/c1ccc(OCC(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(OC)c1 ZINC000261624874 145211805 /nfs/dbraw/zinc/21/18/05/145211805.db2.gz CHMWUYQNSBAHPZ-GRJAPKLVSA-N 1 0 318.417 2.303 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000261627648 145211944 /nfs/dbraw/zinc/21/19/44/145211944.db2.gz BJLLMSISZGAOBM-MELADBBJSA-N 1 0 318.421 2.171 10 0 DEAERO COc1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)ccc1F ZINC000261632093 145212360 /nfs/dbraw/zinc/21/23/60/145212360.db2.gz DDJHQDNEQXSTFF-JDSLSITLSA-N 1 0 322.380 2.305 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)COCc1ccccc1 ZINC000261634996 145212576 /nfs/dbraw/zinc/21/25/76/145212576.db2.gz BOCHQSJDIKOLOW-UHFFFAOYSA-N 1 0 312.413 2.233 10 0 DEAERO CCc1ccc([C@@H]2C[NH2+]CCN2CCS(=O)(=O)C(C)C)cc1 ZINC000261647893 145212945 /nfs/dbraw/zinc/21/29/45/145212945.db2.gz GDQKWJXNKALSMZ-KRWDZBQOSA-N 1 0 324.490 2.019 10 0 DEAERO C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261675855 145215696 /nfs/dbraw/zinc/21/56/96/145215696.db2.gz CXRHRESCKGGDCJ-IIAWOOMASA-N 1 0 323.481 2.047 10 0 DEAERO Cc1cc(N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)nc(C(C)C)n1 ZINC000261689635 145216981 /nfs/dbraw/zinc/21/69/81/145216981.db2.gz BDCUQOQSALUUIA-GOSISDBHSA-N 1 0 317.481 2.030 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1COc2ccccc2C1 ZINC000261695565 145217871 /nfs/dbraw/zinc/21/78/71/145217871.db2.gz DKSWAJVONOOURR-MBPYWJHISA-N 1 0 314.429 2.260 10 0 DEAERO C[NH2+]C1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000261694609 145218015 /nfs/dbraw/zinc/21/80/15/145218015.db2.gz NPKWFKKMNRFSBI-UHFFFAOYSA-N 1 0 306.797 2.173 10 0 DEAERO C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000261699537 145218174 /nfs/dbraw/zinc/21/81/74/145218174.db2.gz CMFNRRYEJFSKME-KYZVSKTDSA-N 1 0 302.418 2.446 10 0 DEAERO C[C@@H]1Cc2ccccc2N1C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261701347 145218402 /nfs/dbraw/zinc/21/84/02/145218402.db2.gz KCZPTEMQKFUGHS-KTFSGNIMSA-N 1 0 313.445 2.179 10 0 DEAERO CC(C)c1noc2ncc(C(=O)N3CC[C@](C)(C[NH3+])C3)cc21 ZINC000261731593 145221410 /nfs/dbraw/zinc/22/14/10/145221410.db2.gz CXELOPNKPHEAQQ-MRXNPFEDSA-N 1 0 302.378 2.157 10 0 DEAERO Cc1ccc(-c2nc(C(=O)NCC3C[NH2+]C3)cs2)c(C)c1 ZINC000261732296 145221504 /nfs/dbraw/zinc/22/15/04/145221504.db2.gz ABWRZNUTKAJTEC-UHFFFAOYSA-N 1 0 301.415 2.376 10 0 DEAERO c1cc(N2CCCCC2)ncc1-c1noc(C[C@H]2CC[NH2+]C2)n1 ZINC000261749089 145222520 /nfs/dbraw/zinc/22/25/20/145222520.db2.gz LRCMRLAYRFBWLX-CYBMUJFWSA-N 1 0 313.405 2.274 10 0 DEAERO Cc1ccnn1-c1ccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261792478 145226877 /nfs/dbraw/zinc/22/68/77/145226877.db2.gz IHJIFEOIBCRYFT-MRXNPFEDSA-N 1 0 312.417 2.380 10 0 DEAERO Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261798240 145227294 /nfs/dbraw/zinc/22/72/94/145227294.db2.gz LPBFVBQBFXPPMW-JQWIXIFHSA-N 1 0 316.430 2.323 10 0 DEAERO [NH3+]Cc1cc(C(=O)N2CCC(Oc3ccccc3)CC2)ccn1 ZINC000261827753 145231572 /nfs/dbraw/zinc/23/15/72/145231572.db2.gz XJQDSZAOSBNLIF-UHFFFAOYSA-N 1 0 311.385 2.224 10 0 DEAERO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261843179 145232466 /nfs/dbraw/zinc/23/24/66/145232466.db2.gz VWQOJAQUNOKKQC-CYBMUJFWSA-N 1 0 316.854 2.396 10 0 DEAERO C[C@H](NC(=O)CN1CCCC[C@@H]1CC[NH3+])c1ccc(F)cc1 ZINC000261854659 145233598 /nfs/dbraw/zinc/23/35/98/145233598.db2.gz DZWCZLUAAOKALW-XJKSGUPXSA-N 1 0 307.413 2.206 10 0 DEAERO Cc1cc(C)n2ncc(-c3noc([C@@]45CCC[C@@H]4C[NH2+]C5)n3)c2n1 ZINC000261852532 145233894 /nfs/dbraw/zinc/23/38/94/145233894.db2.gz SXUHZCQIYLJUNP-SJKOYZFVSA-N 1 0 324.388 2.037 10 0 DEAERO CC(C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261852095 145233938 /nfs/dbraw/zinc/23/39/38/145233938.db2.gz BGCZVCUDODFVNU-NCOADZHNSA-N 1 0 318.465 2.054 10 0 DEAERO [NH3+]C1(c2noc(C[C@@H]3Sc4ccccc4NC3=O)n2)CCC1 ZINC000261883162 145236947 /nfs/dbraw/zinc/23/69/47/145236947.db2.gz WQGHMBWJLYQDHO-NSHDSACASA-N 1 0 316.386 2.063 10 0 DEAERO C[C@]1(CN2CCN(C(=O)CCC3CCCC3)CC2)CC[NH2+]C1 ZINC000261887235 145237703 /nfs/dbraw/zinc/23/77/03/145237703.db2.gz SFBFRZNYUMROSD-SFHVURJKSA-N 1 0 307.482 2.101 10 0 DEAERO COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261896914 145238787 /nfs/dbraw/zinc/23/87/87/145238787.db2.gz DEWDMSRWIOXKTE-RBSFLKMASA-N 1 0 322.449 2.004 10 0 DEAERO COc1ccc(CCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000261900104 145239102 /nfs/dbraw/zinc/23/91/02/145239102.db2.gz WCXJHRMFAYXYET-GASCZTMLSA-N 1 0 320.408 2.225 10 0 DEAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)Oc1ccccc1 ZINC000261900517 145239358 /nfs/dbraw/zinc/23/93/58/145239358.db2.gz HQGMWSFMLBLAHE-SPUZQDLCSA-N 1 0 304.434 2.201 10 0 DEAERO [NH3+][C@H](C(=O)NCCCCCc1ccccc1)C1CCOCC1 ZINC000261901861 145239804 /nfs/dbraw/zinc/23/98/04/145239804.db2.gz WPXJSCWBBPVNFO-KRWDZBQOSA-N 1 0 304.434 2.270 10 0 DEAERO CCOCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261934808 145244067 /nfs/dbraw/zinc/24/40/67/145244067.db2.gz MCWXZRAIUZWSQI-QRVBRYPASA-N 1 0 318.461 2.470 10 0 DEAERO Cn1cnnc1-c1cccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000261932769 145244246 /nfs/dbraw/zinc/24/42/46/145244246.db2.gz SYOLFSRLIWXJEP-CQSZACIVSA-N 1 0 313.405 2.199 10 0 DEAERO C[C@H](NC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000261964872 145247953 /nfs/dbraw/zinc/24/79/53/145247953.db2.gz YHVGVMMTOJZVFQ-GUDXXQAFSA-N 1 0 319.424 2.062 10 0 DEAERO CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000261990293 145250645 /nfs/dbraw/zinc/25/06/45/145250645.db2.gz SRCHDQZUHSGAPB-DZUCGIPZSA-N 1 0 318.465 2.054 10 0 DEAERO [NH3+][C@@H](C(=O)N1CCC[C@H](Cc2ccccc2)C1)C1CCOCC1 ZINC000262003288 145251968 /nfs/dbraw/zinc/25/19/68/145251968.db2.gz NPUMZBNMUMJHHC-SJLPKXTDSA-N 1 0 316.445 2.222 10 0 DEAERO Cc1c(Cl)cc(S(=O)(=O)NC2CC[NH2+]CC2)cc1Cl ZINC000262105795 145261997 /nfs/dbraw/zinc/26/19/97/145261997.db2.gz FPJYHKVLKPHXOY-UHFFFAOYSA-N 1 0 323.245 2.332 10 0 DEAERO CCc1nc(CNC(=O)c2ccccc2CC[NH2+]C)cs1 ZINC000262135606 145265307 /nfs/dbraw/zinc/26/53/07/145265307.db2.gz DKBFFMIXAOIMIS-UHFFFAOYSA-N 1 0 303.431 2.397 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)[C@H]2CC[NH2+][C@@H](C)C2)no1 ZINC000262359106 145278837 /nfs/dbraw/zinc/27/88/37/145278837.db2.gz IJCRPPLXLAPDEN-AVGNSLFASA-N 1 0 306.410 2.245 10 0 DEAERO C[NH2+]CCC(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000262365649 145279383 /nfs/dbraw/zinc/27/93/83/145279383.db2.gz KZNMQZDOPCBNIH-ZDUSSCGKSA-N 1 0 309.841 2.155 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCc2ccccc21 ZINC000262392408 145280900 /nfs/dbraw/zinc/28/09/00/145280900.db2.gz BKNFUKHTKYLXRP-JOQOYGCGSA-N 1 0 300.402 2.108 10 0 DEAERO CCOC(=O)C1CCC(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000262420092 145282745 /nfs/dbraw/zinc/28/27/45/145282745.db2.gz DYCBTKAERPXZMZ-OOJKYFRXSA-N 1 0 310.438 2.132 10 0 DEAERO COCc1nc2cc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)ccc2o1 ZINC000262433091 145283429 /nfs/dbraw/zinc/28/34/29/145283429.db2.gz RWKXPGIVSJIXEV-QWRGUYRKSA-N 1 0 303.362 2.301 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000262521330 145289507 /nfs/dbraw/zinc/28/95/07/145289507.db2.gz ZSRZJNVRDTXWBJ-QGZQTAFBSA-N 1 0 306.356 2.468 10 0 DEAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000262573567 145294231 /nfs/dbraw/zinc/29/42/31/145294231.db2.gz COMHNJZHLIAPNG-UHFFFAOYSA-N 1 0 308.470 2.142 10 0 DEAERO O=C(NCC[C@@H]1CC[NH2+]C1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262589654 145295347 /nfs/dbraw/zinc/29/53/47/145295347.db2.gz QOLLUKZWCNHXNL-LBPRGKRZSA-N 1 0 318.808 2.255 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000262589624 145295475 /nfs/dbraw/zinc/29/54/75/145295475.db2.gz QLYSPJDSPSKRFB-XJKCOSOUSA-N 1 0 315.417 2.011 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000262667339 145299132 /nfs/dbraw/zinc/29/91/32/145299132.db2.gz KZZMAOWMGIONFB-KKUMJFAQSA-N 1 0 304.438 2.076 10 0 DEAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000262763318 145304504 /nfs/dbraw/zinc/30/45/04/145304504.db2.gz JZOPUZFAYOMDRZ-KWQFWETISA-N 1 0 323.245 2.270 10 0 DEAERO Cc1nc2ccccc2cc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263226071 145338581 /nfs/dbraw/zinc/33/85/81/145338581.db2.gz MSYWNKQZSDGBBN-HNNXBMFYSA-N 1 0 309.373 2.169 10 0 DEAERO Cc1cc(OCc2nc([C@@H]3C[NH2+]CCN3C)no2)ccc1Cl ZINC000263228908 145338818 /nfs/dbraw/zinc/33/88/18/145338818.db2.gz NCTBVHXYLJKMGB-ZDUSSCGKSA-N 1 0 322.796 2.187 10 0 DEAERO COCC[C@H](COC)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000309699742 145350276 /nfs/dbraw/zinc/35/02/76/145350276.db2.gz ABRSJNIDOAKXAR-QGZVFWFLSA-N 1 0 303.406 2.073 10 0 DEAERO CCCCn1cc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)c(C)n1 ZINC000358723513 147190642 /nfs/dbraw/zinc/19/06/42/147190642.db2.gz WEACNRUDCPWRGM-INIZCTEOSA-N 1 0 306.454 2.482 10 0 DEAERO O=C(CC/C=C/c1ccccc1)N1CCN([C@@H]2CCOC2)CC1 ZINC000370415625 148016413 /nfs/dbraw/zinc/01/64/13/148016413.db2.gz PAFTTZNPZJZSFR-SBLNNXNXSA-N 1 0 314.429 2.413 10 0 DEAERO O=C(CC/C=C/c1ccccc1)N1CCN([C@H]2CCOC2)CC1 ZINC000370415624 148016702 /nfs/dbraw/zinc/01/67/02/148016702.db2.gz PAFTTZNPZJZSFR-PYJQOMOHSA-N 1 0 314.429 2.413 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCOc1ccc(F)cc1 ZINC000371292496 148083571 /nfs/dbraw/zinc/08/35/71/148083571.db2.gz CISHFHSAFBMPJP-BPQIPLTHSA-N 1 0 322.424 2.388 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)N2CCOCC3(CCC3)C2)CC1 ZINC000371888212 148149715 /nfs/dbraw/zinc/14/97/15/148149715.db2.gz NHACJLCVZWZCGH-UHFFFAOYSA-N 1 0 323.481 2.321 10 0 DEAERO CC(=O)CCN(C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000372327051 148194362 /nfs/dbraw/zinc/19/43/62/148194362.db2.gz WUVOAYVTPYLUGI-UHFFFAOYSA-N 1 0 302.418 2.336 10 0 DEAERO CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)CC2 ZINC000372394455 148202663 /nfs/dbraw/zinc/20/26/63/148202663.db2.gz NTLNFSVMDLFYKZ-ZDUSSCGKSA-N 1 0 320.481 2.342 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(Cl)nc1 ZINC000374525851 148256511 /nfs/dbraw/zinc/25/65/11/148256511.db2.gz CTJSXESREAWHJR-RISCZKNCSA-N 1 0 323.824 2.166 10 0 DEAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374548278 148259397 /nfs/dbraw/zinc/25/93/97/148259397.db2.gz JRXMAJWWZIESPQ-RBSFLKMASA-N 1 0 319.453 2.164 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000378227369 148498152 /nfs/dbraw/zinc/49/81/52/148498152.db2.gz WULMCMIXQXGLIQ-DBHDPKECSA-N 1 0 306.450 2.133 10 0 DEAERO CCOCCC1(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000132792259 286046853 /nfs/dbraw/zinc/04/68/53/286046853.db2.gz MCYZTMPPKASMEV-GJZGRUSLSA-N 1 0 309.454 2.071 10 0 DEAERO COc1ccc(O)cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000408405260 148600234 /nfs/dbraw/zinc/60/02/34/148600234.db2.gz LWHKMEOXDAEXDG-UHFFFAOYSA-N 1 0 318.417 2.491 10 0 DEAERO C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC([C@H](C)O)CC1 ZINC000111695711 401721409 /nfs/dbraw/zinc/72/14/09/401721409.db2.gz AQGPNIGSNWATHW-CABCVRRESA-N 1 0 316.445 2.053 10 0 DEAERO O=C(OCC[NH2+]CCOC(=O)c1ccccc1)c1ccccc1 ZINC000003123333 401722075 /nfs/dbraw/zinc/72/20/75/401722075.db2.gz SSKKNVDGEGQKNN-UHFFFAOYSA-N 1 0 313.353 2.290 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[C@H](C(=O)OC)C2)[C@H](C)C1 ZINC000073949315 401725872 /nfs/dbraw/zinc/72/58/72/401725872.db2.gz JJBNXFPPHLMTQR-WCVJEAGWSA-N 1 0 324.465 2.155 10 0 DEAERO COCC[N@H+](C)CCCNc1cc(C)nc(-c2ccncc2)n1 ZINC000112074233 401730066 /nfs/dbraw/zinc/73/00/66/401730066.db2.gz NCHMXBIWFHYBKL-UHFFFAOYSA-N 1 0 315.421 2.227 10 0 DEAERO CCc1c(C)nc(-c2ccc(OC)cc2)nc1N1CC[NH2+]CC1 ZINC000006740009 401732137 /nfs/dbraw/zinc/73/21/37/401732137.db2.gz OYCRURNNJLHDNC-UHFFFAOYSA-N 1 0 312.417 2.433 10 0 DEAERO CC[C@@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000112256244 401734363 /nfs/dbraw/zinc/73/43/63/401734363.db2.gz XPMFRKSNKBMRHV-CQSZACIVSA-N 1 0 317.433 2.497 10 0 DEAERO COCCOc1cccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000072016975 401701100 /nfs/dbraw/zinc/70/11/00/401701100.db2.gz FRQMLVBPBAMBSA-INIZCTEOSA-N 1 0 322.449 2.418 10 0 DEAERO Cc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2ccc3c(c2)OCO3)cc1 ZINC000008037404 401747595 /nfs/dbraw/zinc/74/75/95/401747595.db2.gz BOKIZQXHNSMNDG-INIZCTEOSA-N 1 0 319.382 2.197 10 0 DEAERO C[C@@H](O)C1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000111288546 401708598 /nfs/dbraw/zinc/70/85/98/401708598.db2.gz GAYRBIPFBTWRRS-LLVKDONJSA-N 1 0 303.358 2.091 10 0 DEAERO COc1ccc([C@H](C[NH3+])S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000008037351 401747726 /nfs/dbraw/zinc/74/77/26/401747726.db2.gz CJWIWDOFQKGKMU-INIZCTEOSA-N 1 0 321.398 2.178 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)s1 ZINC000111611806 401718455 /nfs/dbraw/zinc/71/84/55/401718455.db2.gz WZOBPGHDOXQAPB-SNVBAGLBSA-N 1 0 302.465 2.058 10 0 DEAERO CCOc1ccc2ccccc2c1CNCCC[NH2+]CCO ZINC000013733049 401803808 /nfs/dbraw/zinc/80/38/08/401803808.db2.gz IULMQGRUYXWWOK-UHFFFAOYSA-N 1 0 302.418 2.300 10 0 DEAERO CC[NH+](CC)CCNC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000114581803 401804074 /nfs/dbraw/zinc/80/40/74/401804074.db2.gz ADNIIFKDJHJMSC-OAHLLOKOSA-N 1 0 321.469 2.225 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)CCn2cnc3ccccc32)CC[N@@H+]1C ZINC000127904055 401755166 /nfs/dbraw/zinc/75/51/66/401755166.db2.gz FEXQLWLCEIQCEA-LSDHHAIUSA-N 1 0 314.433 2.368 10 0 DEAERO c1cnn([C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2-c2ccccc2)c1 ZINC000128003795 401758431 /nfs/dbraw/zinc/75/84/31/401758431.db2.gz RZFVYBDHMVTALA-HZPDHXFCSA-N 1 0 323.404 2.132 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3cccs3)CC2)C1 ZINC000128072701 401761831 /nfs/dbraw/zinc/76/18/31/401761831.db2.gz XPXMTTHMDUGQJV-CQSZACIVSA-N 1 0 322.478 2.064 10 0 DEAERO CC(=O)Nc1ccc(F)c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000113225530 401770294 /nfs/dbraw/zinc/77/02/94/401770294.db2.gz OSGGYDRUBCVPIQ-BXUZGUMPSA-N 1 0 319.380 2.093 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000113225255 401770843 /nfs/dbraw/zinc/77/08/43/401770843.db2.gz XWJWRXILOOAIEW-CHWSQXEVSA-N 1 0 311.385 2.249 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)nc1 ZINC000113230932 401771582 /nfs/dbraw/zinc/77/15/82/401771582.db2.gz FYKHYLISRUAHDU-CMPLNLGQSA-N 1 0 313.323 2.409 10 0 DEAERO CCOc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000113231835 401771648 /nfs/dbraw/zinc/77/16/48/401771648.db2.gz WTOQTMDRQQRDIB-DZGCQCFKSA-N 1 0 318.417 2.403 10 0 DEAERO CCc1cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)oc1CC ZINC000128340439 401772118 /nfs/dbraw/zinc/77/21/18/401772118.db2.gz OTOOFYWLQINHQI-AWEZNQCLSA-N 1 0 321.465 2.018 10 0 DEAERO CC[C@@H](CO)[NH+]1CCN(CCOc2cc(C)ccc2C)CC1 ZINC000075957436 401775306 /nfs/dbraw/zinc/77/53/06/401775306.db2.gz OOPCJKSILRVGGC-KRWDZBQOSA-N 1 0 306.450 2.071 10 0 DEAERO COc1ccc(CCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113576863 401782454 /nfs/dbraw/zinc/78/24/54/401782454.db2.gz IVXLNQYSYMAWKS-GOEBONIOSA-N 1 0 317.433 2.116 10 0 DEAERO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076107904 401782871 /nfs/dbraw/zinc/78/28/71/401782871.db2.gz DBVUSLRVJMBHAJ-CVEARBPZSA-N 1 0 304.434 2.489 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCOC1CCCC1 ZINC000113607594 401783907 /nfs/dbraw/zinc/78/39/07/401783907.db2.gz ZNPJRMRRAFHUHS-LSDHHAIUSA-N 1 0 309.454 2.214 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2OCO3)[C@H](C)C1 ZINC000076486375 401796705 /nfs/dbraw/zinc/79/67/05/401796705.db2.gz KJOULMUMWRNKCM-TZMCWYRMSA-N 1 0 304.390 2.218 10 0 DEAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000019508750 401822520 /nfs/dbraw/zinc/82/25/20/401822520.db2.gz BXVSCDNQMVRJHW-CYBMUJFWSA-N 1 0 309.207 2.273 10 0 DEAERO Cc1cc(C)n(C[C@@H]2C[N@H+](CC3(O)CCC(C)CC3)CCO2)n1 ZINC000130404824 401830556 /nfs/dbraw/zinc/83/05/56/401830556.db2.gz WFWGDZDTJXHNPZ-GMXGEUMGSA-N 1 0 321.465 2.142 10 0 DEAERO C[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000115694253 401835449 /nfs/dbraw/zinc/83/54/49/401835449.db2.gz DROUPBJYBWKAIR-LRDDRELGSA-N 1 0 323.412 2.254 10 0 DEAERO CCNC(=O)CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000025922020 401837818 /nfs/dbraw/zinc/83/78/18/401837818.db2.gz ABPORUPWIHDQSC-AWEZNQCLSA-N 1 0 304.390 2.121 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)C1 ZINC000115837858 401838313 /nfs/dbraw/zinc/83/83/13/401838313.db2.gz UBXUSRFVGBSYLM-NVXWUHKLSA-N 1 0 316.449 2.001 10 0 DEAERO CCc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)CN2CCOCC2)o1 ZINC000130973085 401842286 /nfs/dbraw/zinc/84/22/86/401842286.db2.gz OOQOSPVGCJNSBD-WBVHZDCISA-N 1 0 322.449 2.062 10 0 DEAERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)no1 ZINC000116243729 401846449 /nfs/dbraw/zinc/84/64/49/401846449.db2.gz KRYXLGPIPPQALF-SWLSCSKDSA-N 1 0 314.389 2.018 10 0 DEAERO CCOCC[N@@H+]1CCN(c2cc(C)nc(C3CC3)n2)C[C@@H]1C ZINC000116261028 401847214 /nfs/dbraw/zinc/84/72/14/401847214.db2.gz PFDAPTFZOVDTCU-AWEZNQCLSA-N 1 0 304.438 2.209 10 0 DEAERO Cn1cc([C@H]2CC[N@@H+]([C@H](C(=O)NC3CC3)c3ccccc3)C2)cn1 ZINC000116310908 401848464 /nfs/dbraw/zinc/84/84/64/401848464.db2.gz CAJKHLSXGNXGPO-YJBOKZPZSA-N 1 0 324.428 2.229 10 0 DEAERO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116309912 401848732 /nfs/dbraw/zinc/84/87/32/401848732.db2.gz FWPSYAMIZHNCOE-GJZGRUSLSA-N 1 0 306.454 2.102 10 0 DEAERO CCN(C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000116314681 401849332 /nfs/dbraw/zinc/84/93/32/401849332.db2.gz IFLWTUIRRKRNIS-HNNXBMFYSA-N 1 0 312.417 2.263 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CSCc1cscn1 ZINC000131491264 401851894 /nfs/dbraw/zinc/85/18/94/401851894.db2.gz MOECFZDCTYGFPK-CYBMUJFWSA-N 1 0 313.492 2.319 10 0 DEAERO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116407590 401852028 /nfs/dbraw/zinc/85/20/28/401852028.db2.gz UVFGWVKRQXFOEN-GJZGRUSLSA-N 1 0 318.465 2.389 10 0 DEAERO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000131690667 401854731 /nfs/dbraw/zinc/85/47/31/401854731.db2.gz BDJRRHLVIHWFHK-PBHICJAKSA-N 1 0 312.417 2.249 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(-n2cccn2)c1 ZINC000116764619 401858126 /nfs/dbraw/zinc/85/81/26/401858126.db2.gz LGKHSZHTPZCINV-RHSMWYFYSA-N 1 0 310.401 2.181 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)Cc2ccccc2C)C[C@@H]1CC ZINC000116771730 401858734 /nfs/dbraw/zinc/85/87/34/401858734.db2.gz QLZSLMZIKDIOJG-SFHVURJKSA-N 1 0 318.461 2.497 10 0 DEAERO C[C@H](CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1F ZINC000116787506 401859184 /nfs/dbraw/zinc/85/91/84/401859184.db2.gz FIVDOWPCXMHNQD-KGLIPLIRSA-N 1 0 308.397 2.108 10 0 DEAERO CCOc1cc(C)nc(N2CC[NH+](CCCCCOC)CC2)n1 ZINC000116878870 401863074 /nfs/dbraw/zinc/86/30/74/401863074.db2.gz WWFWMDOVNIWEIE-UHFFFAOYSA-N 1 0 322.453 2.122 10 0 DEAERO O=C(NC1CC[NH+](C2CC2)CC1)c1coc(Br)c1 ZINC000030626879 401864724 /nfs/dbraw/zinc/86/47/24/401864724.db2.gz RPIZYHUISHABQI-UHFFFAOYSA-N 1 0 313.195 2.399 10 0 DEAERO CN1CCC[C@H]1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130034551 401816060 /nfs/dbraw/zinc/81/60/60/401816060.db2.gz ASNVWYRAHLZSNY-GJZGRUSLSA-N 1 0 311.470 2.317 10 0 DEAERO CCc1cnccc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000119106503 401926208 /nfs/dbraw/zinc/92/62/08/401926208.db2.gz ZDPLCJRLVJYKAC-HUUCEWRRSA-N 1 0 319.449 2.263 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC000117762351 401883831 /nfs/dbraw/zinc/88/38/31/401883831.db2.gz DNMGBABCQJYOAH-CABCVRRESA-N 1 0 302.418 2.401 10 0 DEAERO C[C@H]1CCC[C@@H](C[NH+]2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000133384685 401884303 /nfs/dbraw/zinc/88/43/03/401884303.db2.gz FKCYVEBJYXLNHB-LSDHHAIUSA-N 1 0 314.437 2.073 10 0 DEAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCn2ccnc21 ZINC000080592705 401890843 /nfs/dbraw/zinc/89/08/43/401890843.db2.gz PACXHIMJNYGREC-QKPAOTATSA-N 1 0 318.465 2.243 10 0 DEAERO CC[C@H](C)C[C@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000080690468 401891746 /nfs/dbraw/zinc/89/17/46/401891746.db2.gz OULYFVIGAMJGNU-GJZGRUSLSA-N 1 0 318.465 2.388 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccco3)o2)[C@H](C)C1 ZINC000081096576 401893739 /nfs/dbraw/zinc/89/37/39/401893739.db2.gz JSGKYQRHYGATQI-OLZOCXBDSA-N 1 0 304.394 2.492 10 0 DEAERO C[NH2+]CC(=O)Nc1ccc(Br)cc1Br ZINC000034979663 401894518 /nfs/dbraw/zinc/89/45/18/401894518.db2.gz MTMNAMATOCEGDD-UHFFFAOYSA-N 1 0 322.000 2.370 10 0 DEAERO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000035230378 401897002 /nfs/dbraw/zinc/89/70/02/401897002.db2.gz FIDFRRUTPMHYRN-LLVKDONJSA-N 1 0 308.378 2.324 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2OC)C1 ZINC000081571878 401897652 /nfs/dbraw/zinc/89/76/52/401897652.db2.gz CZZXZPRDHJZHAA-HNNXBMFYSA-N 1 0 319.449 2.297 10 0 DEAERO CCc1ccc(S(=O)(=O)NC[C@H](C)[NH+](CC)CC)s1 ZINC000036076791 401901725 /nfs/dbraw/zinc/90/17/25/401901725.db2.gz ZQCTYSINTOEJAO-NSHDSACASA-N 1 0 304.481 2.319 10 0 DEAERO CC[C@](C)(CO)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000084440040 401905594 /nfs/dbraw/zinc/90/55/94/401905594.db2.gz LMNGCOQGIGVVNY-XJKSGUPXSA-N 1 0 300.443 2.384 10 0 DEAERO CC(C)(C)OC[C@H](O)C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084496772 401905695 /nfs/dbraw/zinc/90/56/95/401905695.db2.gz HKJSXDZZHVZCEK-QZTJIDSGSA-N 1 0 321.461 2.496 10 0 DEAERO CC(C)Oc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000118804910 401909067 /nfs/dbraw/zinc/90/90/67/401909067.db2.gz ZDRNCVFCJAYBIM-MRXNPFEDSA-N 1 0 321.421 2.268 10 0 DEAERO C[NH2+]C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000084747697 401909762 /nfs/dbraw/zinc/90/97/62/401909762.db2.gz QAHDOZHTSAFWGI-UHFFFAOYSA-N 1 0 310.463 2.357 10 0 DEAERO CC(C)Cn1ccnc1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085362095 401914275 /nfs/dbraw/zinc/91/42/75/401914275.db2.gz GVFWJLXZYQTYMI-AWEZNQCLSA-N 1 0 323.485 2.315 10 0 DEAERO CCc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)cc1 ZINC000118970270 401915927 /nfs/dbraw/zinc/91/59/27/401915927.db2.gz JJMBUZFJHSAOHX-KRWDZBQOSA-N 1 0 304.434 2.019 10 0 DEAERO CC(C)[NH2+]C1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000118984399 401917100 /nfs/dbraw/zinc/91/71/00/401917100.db2.gz WTBLDRYKKWFOOD-GOSISDBHSA-N 1 0 306.450 2.027 10 0 DEAERO Cc1noc(CC[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)n1 ZINC000089517877 401950835 /nfs/dbraw/zinc/95/08/35/401950835.db2.gz QYQSHRIAIJEOLN-LLVKDONJSA-N 1 0 303.362 2.433 10 0 DEAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000089635430 401954960 /nfs/dbraw/zinc/95/49/60/401954960.db2.gz SREZUHDBXCRVRV-WDEREUQCSA-N 1 0 303.399 2.308 10 0 DEAERO CCCNC(=O)c1cccc(CNC(=O)[C@@H](CCC)[NH+](C)C)c1 ZINC000136354571 401966429 /nfs/dbraw/zinc/96/64/29/401966429.db2.gz YEELLYYEMGHPRH-MRXNPFEDSA-N 1 0 319.449 2.173 10 0 DEAERO O=C(c1ccccc1)N1CCC[N@@H+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000089883326 401969801 /nfs/dbraw/zinc/96/98/01/401969801.db2.gz BCAXQNPHLMWNIC-SJORKVTESA-N 1 0 302.418 2.138 10 0 DEAERO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000119943633 401972163 /nfs/dbraw/zinc/97/21/63/401972163.db2.gz WYAJXZFLAZVQMK-ZBFHGGJFSA-N 1 0 324.490 2.398 10 0 DEAERO CCN(CCc1nccs1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000119955444 401972589 /nfs/dbraw/zinc/97/25/89/401972589.db2.gz DFVWVZZRVYSAOJ-OLZOCXBDSA-N 1 0 322.478 2.342 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1C(F)(F)F ZINC000137076793 401978548 /nfs/dbraw/zinc/97/85/48/401978548.db2.gz VOFKMGOYHGFVSF-GHMZBOCLSA-N 1 0 313.323 2.409 10 0 DEAERO C[C@H]1CC[C@H](C(=O)NCc2nccn2CCc2ccccc2)O1 ZINC000120185480 401981099 /nfs/dbraw/zinc/98/10/99/401981099.db2.gz OXVOXWQRWQJJHL-GOEBONIOSA-N 1 0 313.401 2.310 10 0 DEAERO Cc1cnn([C@H]2CCCN(CCCS(=O)(=O)C(C)C)C2)c1 ZINC000120181954 401981221 /nfs/dbraw/zinc/98/12/21/401981221.db2.gz YQOLFHVUWFRSLH-HNNXBMFYSA-N 1 0 313.467 2.042 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCc1ccc(OC)cc1 ZINC000047606442 401985273 /nfs/dbraw/zinc/98/52/73/401985273.db2.gz JDXUWRLEARBVFQ-CQSZACIVSA-N 1 0 307.438 2.267 10 0 DEAERO CC[C@@H]1CCCCCN1C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000120340995 401987590 /nfs/dbraw/zinc/98/75/90/401987590.db2.gz UNHUTEUTJGFMFZ-CVEARBPZSA-N 1 0 311.470 2.461 10 0 DEAERO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC000150775548 401995143 /nfs/dbraw/zinc/99/51/43/401995143.db2.gz NJWHEPIBONSMFY-GOEBONIOSA-N 1 0 317.433 2.087 10 0 DEAERO CCOCCN(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000089218323 401938748 /nfs/dbraw/zinc/93/87/48/401938748.db2.gz IOLFPQURJFRGBS-UHFFFAOYSA-N 1 0 311.401 2.065 10 0 DEAERO C[C@@H](C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1)CS(C)(=O)=O ZINC000119325580 401941818 /nfs/dbraw/zinc/94/18/18/401941818.db2.gz KOHIOENBTSSGGX-DOTOQJQBSA-N 1 0 324.490 2.268 10 0 DEAERO CCC[C@@H](C(=O)NC[C@@H](C)N1CCc2ccccc21)[NH+](C)C ZINC000135649983 401949439 /nfs/dbraw/zinc/94/94/39/401949439.db2.gz UIUVYLJMDUHCMU-PBHICJAKSA-N 1 0 303.450 2.284 10 0 DEAERO CCc1ccc(S(=O)(=O)NCC2([NH3+])CCCCC2)s1 ZINC000049044836 402011053 /nfs/dbraw/zinc/01/10/53/402011053.db2.gz XBXVLDJQQBXQEI-UHFFFAOYSA-N 1 0 302.465 2.250 10 0 DEAERO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049129400 402013016 /nfs/dbraw/zinc/01/30/16/402013016.db2.gz FYLFDKPYFNOEST-YUMQZZPRSA-N 1 0 303.815 2.286 10 0 DEAERO O[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)C[NH+]1CCCCC1 ZINC000151252688 402025948 /nfs/dbraw/zinc/02/59/48/402025948.db2.gz UWNSKTRNUYKDMP-MOPGFXCFSA-N 1 0 302.462 2.444 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)s1 ZINC000050163417 402026133 /nfs/dbraw/zinc/02/61/33/402026133.db2.gz WLOUCQMZIMGNKK-CMPLNLGQSA-N 1 0 302.465 2.031 10 0 DEAERO COc1ccc2c(c1)[C@H](NC[C@@H](O)C[NH+]1CCCCC1)CC2 ZINC000151273436 402027381 /nfs/dbraw/zinc/02/73/81/402027381.db2.gz LSWRRADQHHKCFR-CRAIPNDOSA-N 1 0 304.434 2.119 10 0 DEAERO O=C(NCc1cscn1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050682905 402029010 /nfs/dbraw/zinc/02/90/10/402029010.db2.gz LNMPCVWBZWZKDQ-HNNXBMFYSA-N 1 0 301.415 2.424 10 0 DEAERO CCC[N@H+](CC)CCNC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000121342590 402029629 /nfs/dbraw/zinc/02/96/29/402029629.db2.gz KQAKJXULJAIOGB-MRXNPFEDSA-N 1 0 323.437 2.403 10 0 DEAERO O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1cscn1 ZINC000051751020 402036070 /nfs/dbraw/zinc/03/60/70/402036070.db2.gz IYZFSMZVUMAPKT-UHFFFAOYSA-N 1 0 316.430 2.001 10 0 DEAERO C[NH+](C)C[C@H](NC(=O)NCCc1nccs1)c1ccccc1 ZINC000051756885 402036305 /nfs/dbraw/zinc/03/63/05/402036305.db2.gz NETCKYGNNCEDNK-AWEZNQCLSA-N 1 0 318.446 2.288 10 0 DEAERO O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)Nc1cc(F)cc(F)c1 ZINC000051854246 402037149 /nfs/dbraw/zinc/03/71/49/402037149.db2.gz OAHJQBVEJSBWAV-LLVKDONJSA-N 1 0 310.344 2.404 10 0 DEAERO Cc1ccccc1CNC(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000051925515 402038194 /nfs/dbraw/zinc/03/81/94/402038194.db2.gz YLFMZXFQUSDUMY-UHFFFAOYSA-N 1 0 315.461 2.171 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000052498455 402043003 /nfs/dbraw/zinc/04/30/03/402043003.db2.gz HLGHFOQXOLETLK-OAHLLOKOSA-N 1 0 314.433 2.494 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(COC)c2)C1 ZINC000052525453 402043605 /nfs/dbraw/zinc/04/36/05/402043605.db2.gz UJRAMGVAVDDSHE-INIZCTEOSA-N 1 0 305.422 2.117 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(COC)cc2)C1 ZINC000052524400 402043633 /nfs/dbraw/zinc/04/36/33/402043633.db2.gz YUWISJFRFNYLET-INIZCTEOSA-N 1 0 305.422 2.117 10 0 DEAERO CC[N@H+](CC(=O)NC[C@@H]1CCN(C)c2ccccc21)C1CC1 ZINC000151635657 402047377 /nfs/dbraw/zinc/04/73/77/402047377.db2.gz OFKCVSNAGTXKFD-AWEZNQCLSA-N 1 0 301.434 2.211 10 0 DEAERO CCN(CC)C(=O)CCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000151843875 402060620 /nfs/dbraw/zinc/06/06/20/402060620.db2.gz QNFUMVYMBJMJMB-INIZCTEOSA-N 1 0 319.449 2.054 10 0 DEAERO CCc1oc(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)cc1C ZINC000121886714 402055994 /nfs/dbraw/zinc/05/59/94/402055994.db2.gz NLDPFHKJJXPNAI-AWEZNQCLSA-N 1 0 321.465 2.154 10 0 DEAERO COc1cccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000150851590 402000358 /nfs/dbraw/zinc/00/03/58/402000358.db2.gz PMPGYJQLGLIMJI-CJNGLKHVSA-N 1 0 305.422 2.223 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000151008015 402010544 /nfs/dbraw/zinc/01/05/44/402010544.db2.gz IUMCQJPWELQRRC-CYBMUJFWSA-N 1 0 302.353 2.040 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000097254909 402120003 /nfs/dbraw/zinc/12/00/03/402120003.db2.gz MMSMKGOHCWUKJH-CJNGLKHVSA-N 1 0 315.417 2.059 10 0 DEAERO O=C(NCC[NH+]1CCCC1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000055036205 402074204 /nfs/dbraw/zinc/07/42/04/402074204.db2.gz WNUKWIIJECPBMP-UHFFFAOYSA-N 1 0 318.808 2.351 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCc1nc(-c2ccoc2)no1 ZINC000122403804 402076787 /nfs/dbraw/zinc/07/67/87/402076787.db2.gz 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CC(C)C[C@H](CO)[N@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000185368156 402347584 /nfs/dbraw/zinc/34/75/84/402347584.db2.gz CJHOUPKLDNFIBV-OAHLLOKOSA-N 1 0 312.841 2.295 10 0 DEAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CCC(C)(C)CC1 ZINC000185453837 402354012 /nfs/dbraw/zinc/35/40/12/402354012.db2.gz CZPGQMVVQWZXJK-HNNXBMFYSA-N 1 0 324.513 2.280 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C(C)(C)C)nn1C ZINC000176976905 402355922 /nfs/dbraw/zinc/35/59/22/402355922.db2.gz LGMVGNVAVKBDPE-ZDUSSCGKSA-N 1 0 306.454 2.274 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(NC(C)=O)ccc1F ZINC000176980607 402356475 /nfs/dbraw/zinc/35/64/75/402356475.db2.gz SFWULOFQZCNGKP-AWEZNQCLSA-N 1 0 321.396 2.340 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(NC(=O)OC)c1 ZINC000177014091 402359380 /nfs/dbraw/zinc/35/93/80/402359380.db2.gz VDXNLKYFWAOAGS-OAHLLOKOSA-N 1 0 319.405 2.421 10 0 DEAERO CC(C)[C@H]1CCCC[C@H]1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236606272 402367784 /nfs/dbraw/zinc/36/77/84/402367784.db2.gz VPBUGIZPQKYNRT-HUUCEWRRSA-N 1 0 319.453 2.147 10 0 DEAERO COc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1OC ZINC000177090072 402368832 /nfs/dbraw/zinc/36/88/32/402368832.db2.gz WMDTUQPSABTIRG-TZMCWYRMSA-N 1 0 319.405 2.404 10 0 DEAERO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000177101097 402369616 /nfs/dbraw/zinc/36/96/16/402369616.db2.gz OMAWHULURBUJBW-QGZVFWFLSA-N 1 0 317.433 2.096 10 0 DEAERO CCc1ccccc1NC(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000177102216 402369932 /nfs/dbraw/zinc/36/99/32/402369932.db2.gz UMMKWDVKRPBZJO-HNNXBMFYSA-N 1 0 305.422 2.169 10 0 DEAERO CC(C)C[C@H](CO)N(C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000185714149 402370865 /nfs/dbraw/zinc/37/08/65/402370865.db2.gz VOHQACXNXYCMRW-HZPDHXFCSA-N 1 0 313.486 2.155 10 0 DEAERO Cn1nccc1CCC(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000185913530 402388732 /nfs/dbraw/zinc/38/87/32/402388732.db2.gz CSYHXJFSLAEXLY-UHFFFAOYSA-N 1 0 306.454 2.076 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1(OC)CCCCC1 ZINC000185920503 402389149 /nfs/dbraw/zinc/38/91/49/402389149.db2.gz NZPLQOMTRLZTDQ-HNNXBMFYSA-N 1 0 311.470 2.461 10 0 DEAERO c1ccc(CCOCCC[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185182829 402331498 /nfs/dbraw/zinc/33/14/98/402331498.db2.gz HDYIWLIKEWEFIB-GOSISDBHSA-N 1 0 305.418 2.127 10 0 DEAERO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000227971141 402334637 /nfs/dbraw/zinc/33/46/37/402334637.db2.gz WRDZQEYXZLCCPA-TVQRCGJNSA-N 1 0 318.186 2.218 10 0 DEAERO Cc1cccc2ncnc(NC[C@H](O)C[NH+]3CCCCC3)c12 ZINC000176803688 402338592 /nfs/dbraw/zinc/33/85/92/402338592.db2.gz JRZIEJSCHROPJR-AWEZNQCLSA-N 1 0 300.406 2.197 10 0 DEAERO C[NH2+]C1CCN(C(=O)c2ccc(C(F)(F)F)nc2C)CC1 ZINC000237093081 402395083 /nfs/dbraw/zinc/39/50/83/402395083.db2.gz LEJHANRMSGWXCG-UHFFFAOYSA-N 1 0 301.312 2.233 10 0 DEAERO C[C@@H]1CCC[C@H](CCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000237515231 402410816 /nfs/dbraw/zinc/41/08/16/402410816.db2.gz OZWFJKZOTBMEQX-ZIAGYGMSSA-N 1 0 319.453 2.149 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1nccn1CC(C)C ZINC000177545476 402414367 /nfs/dbraw/zinc/41/43/67/402414367.db2.gz VHZQDAHHVRQWIK-HNNXBMFYSA-N 1 0 321.469 2.165 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2F)C12CCOCC2 ZINC000186264846 402416112 /nfs/dbraw/zinc/41/61/12/402416112.db2.gz SRKUYBNPDBNVIZ-YESZJQIVSA-N 1 0 323.408 2.423 10 0 DEAERO C[C@@]1(CNC(=O)c2cnccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000162379700 402418307 /nfs/dbraw/zinc/41/83/07/402418307.db2.gz ZKFDIAOULIWEHF-SFHVURJKSA-N 1 0 310.401 2.261 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)nn(C)c2C)C12CCOCC2 ZINC000186304349 402419295 /nfs/dbraw/zinc/41/92/95/402419295.db2.gz CHVKAVJLPQOXLZ-HZPDHXFCSA-N 1 0 307.438 2.101 10 0 DEAERO CCN(C(=O)[C@@H](C)COC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186309436 402419873 /nfs/dbraw/zinc/41/98/73/402419873.db2.gz HCCKMCRWAALSRE-DOTOQJQBSA-N 1 0 304.434 2.392 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)C12CCOCC2 ZINC000186323504 402421121 /nfs/dbraw/zinc/42/11/21/402421121.db2.gz YGUOUPVVBWLJTR-IAGOWNOFSA-N 1 0 305.418 2.243 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C12CCOCC2 ZINC000186323026 402421235 /nfs/dbraw/zinc/42/12/35/402421235.db2.gz QDAXPRLZRGLUSI-KZNAEPCWSA-N 1 0 319.445 2.154 10 0 DEAERO Cc1nc(-c2cccc(NC(=O)C[C@@H]3CSCC[NH2+]3)c2)no1 ZINC000237820219 402422159 /nfs/dbraw/zinc/42/21/59/402422159.db2.gz KKFOPXYDSRCTRM-CYBMUJFWSA-N 1 0 318.402 2.079 10 0 DEAERO COC(=O)c1coc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000186345995 402423095 /nfs/dbraw/zinc/42/30/95/402423095.db2.gz DOBCWWZZGSIVAO-UHFFFAOYSA-N 1 0 308.378 2.061 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCOc3ccccc32)C[N@@H+]1C1CC1 ZINC000177668679 402425208 /nfs/dbraw/zinc/42/52/08/402425208.db2.gz PGZDBZXFYFXRKM-DVOMOZLQSA-N 1 0 315.417 2.435 10 0 DEAERO CCC[C@H](C(=O)NCCCOc1cccc(OC)c1)[NH+](C)C ZINC000162573072 402425280 /nfs/dbraw/zinc/42/52/80/402425280.db2.gz ZHTWYPGPHQDAEC-MRXNPFEDSA-N 1 0 308.422 2.311 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000177699895 402427739 /nfs/dbraw/zinc/42/77/39/402427739.db2.gz OHQPLKLBYJKAJA-QGZVFWFLSA-N 1 0 317.433 2.244 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000177711936 402429417 /nfs/dbraw/zinc/42/94/17/402429417.db2.gz IMIKKZRYASJOOG-CQSZACIVSA-N 1 0 316.401 2.415 10 0 DEAERO [NH3+]CCCCCCC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000237990798 402430568 /nfs/dbraw/zinc/43/05/68/402430568.db2.gz YUODLGWONBLFEU-UHFFFAOYSA-N 1 0 314.433 2.457 10 0 DEAERO [NH3+]CCCCCCC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000237999371 402431290 /nfs/dbraw/zinc/43/12/90/402431290.db2.gz VZDYIZAKMKVBSS-ZDUSSCGKSA-N 1 0 324.856 2.339 10 0 DEAERO O=C(c1ccc(-n2cccn2)cc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186508703 402437454 /nfs/dbraw/zinc/43/74/54/402437454.db2.gz MIBLDLPSNMNNCQ-HNNXBMFYSA-N 1 0 310.401 2.229 10 0 DEAERO O=C(CCOc1ccccc1F)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186519262 402438641 /nfs/dbraw/zinc/43/86/41/402438641.db2.gz OQLLWCWJSNNTMM-ZDUSSCGKSA-N 1 0 306.381 2.338 10 0 DEAERO COCCOc1cccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186546620 402440570 /nfs/dbraw/zinc/44/05/70/402440570.db2.gz WUOMDLCETDIZAA-OAHLLOKOSA-N 1 0 318.417 2.068 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3cncnc3)cc2F)C1 ZINC000186590502 402444932 /nfs/dbraw/zinc/44/49/32/402444932.db2.gz YPKKACPFYYNNID-CQSZACIVSA-N 1 0 314.364 2.059 10 0 DEAERO Cc1cc(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)on1 ZINC000186613102 402448024 /nfs/dbraw/zinc/44/80/24/402448024.db2.gz FYGYESKZYQDXTN-HNNXBMFYSA-N 1 0 314.389 2.163 10 0 DEAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000163377578 402448181 /nfs/dbraw/zinc/44/81/81/402448181.db2.gz QVFODUDQHUCQLX-GDBMZVCRSA-N 1 0 320.433 2.219 10 0 DEAERO O=S(=O)(CCC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)c1ccccc1 ZINC000177984108 402449004 /nfs/dbraw/zinc/44/90/04/402449004.db2.gz QXYGTDXXFVWTMF-NVXWUHKLSA-N 1 0 323.458 2.351 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCOc1ccccc1 ZINC000246111842 402511142 /nfs/dbraw/zinc/51/11/42/402511142.db2.gz HVVRCVJFHILKET-CVEARBPZSA-N 1 0 317.433 2.334 10 0 DEAERO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000178023882 402453515 /nfs/dbraw/zinc/45/35/15/402453515.db2.gz HYWHJXPLFRINMF-ZDUSSCGKSA-N 1 0 312.369 2.496 10 0 DEAERO FC(F)(F)c1ccc(N2CCC([NH2+][C@H]3CCOC3)CC2)nc1 ZINC000178043729 402455068 /nfs/dbraw/zinc/45/50/68/402455068.db2.gz GEINTGYOAXMIFR-ZDUSSCGKSA-N 1 0 315.339 2.448 10 0 DEAERO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([S@](C)=O)cc2)C1 ZINC000178042084 402455092 /nfs/dbraw/zinc/45/50/92/402455092.db2.gz QCNXLFIZNHCQOR-DMZKTXOQSA-N 1 0 323.462 2.230 10 0 DEAERO CC(C)[C@](C)(O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000186753260 402462303 /nfs/dbraw/zinc/46/23/03/402462303.db2.gz YFNFPOTWBBEAHG-MRXNPFEDSA-N 1 0 310.463 2.349 10 0 DEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H]1CCN(C(C)C)C1=O ZINC000245478100 402464706 /nfs/dbraw/zinc/46/47/06/402464706.db2.gz VBFPWPDXWCTSIN-GJZGRUSLSA-N 1 0 304.438 2.183 10 0 DEAERO CN(CC[N@H+](C)C1CC1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000186804635 402465078 /nfs/dbraw/zinc/46/50/78/402465078.db2.gz XYMYSRAYAOGFSW-AWEZNQCLSA-N 1 0 302.418 2.495 10 0 DEAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1CC1(C)C ZINC000245507249 402466479 /nfs/dbraw/zinc/46/64/79/402466479.db2.gz HYGWCCWKDSGXPU-NUEKZKHPSA-N 1 0 301.434 2.454 10 0 DEAERO COc1cccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000178172631 402467865 /nfs/dbraw/zinc/46/78/65/402467865.db2.gz OBYRQMSPZGGTGS-AWEZNQCLSA-N 1 0 317.433 2.361 10 0 DEAERO COc1ccc2[nH]cc(C3CC[NH+]([C@H]4CCNC4=O)CC3)c2c1 ZINC000178193110 402469637 /nfs/dbraw/zinc/46/96/37/402469637.db2.gz NIROCYDLGIWUDX-KRWDZBQOSA-N 1 0 313.401 2.244 10 0 DEAERO CC[C@H]1CN(Cc2cc(F)c(F)cc2F)CC[N@@H+]1C[C@H](C)O ZINC000245724014 402483011 /nfs/dbraw/zinc/48/30/11/402483011.db2.gz ILNPOQPVCYDCGB-AAEUAGOBSA-N 1 0 316.367 2.381 10 0 DEAERO COc1cc(C[N@H+](C[C@@H](O)COC(C)C)C2CC2)cc(OC)c1 ZINC000036095102 286217609 /nfs/dbraw/zinc/21/76/09/286217609.db2.gz VZKKAWLPQUUXBJ-MRXNPFEDSA-N 1 0 323.433 2.454 10 0 DEAERO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc2c1OCCO2 ZINC000245743796 402484752 /nfs/dbraw/zinc/48/47/52/402484752.db2.gz GLSJBZLVLXLMMI-UONOGXRCSA-N 1 0 307.390 2.059 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000245746649 402485652 /nfs/dbraw/zinc/48/56/52/402485652.db2.gz WRVPNFWFVPWADN-GOEBONIOSA-N 1 0 306.406 2.362 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000245748384 402485838 /nfs/dbraw/zinc/48/58/38/402485838.db2.gz AMJFGYXVTPPNLM-QKPAOTATSA-N 1 0 309.454 2.118 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1nnc2n1CCCC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245777342 402487402 /nfs/dbraw/zinc/48/74/02/402487402.db2.gz LOMZIGUVYAUMKE-RFQIPJPRSA-N 1 0 319.453 2.053 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000187949049 402513426 /nfs/dbraw/zinc/51/34/26/402513426.db2.gz OTIUMHMIPZFESN-JKSUJKDBSA-N 1 0 311.470 2.317 10 0 DEAERO CO[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC000187246702 402489972 /nfs/dbraw/zinc/48/99/72/402489972.db2.gz ANGPQBABECVYFA-LSDHHAIUSA-N 1 0 311.470 2.317 10 0 DEAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCc2ccc(F)cc2)C1 ZINC000245863822 402491695 /nfs/dbraw/zinc/49/16/95/402491695.db2.gz FUCIAJZFVFPAFK-DOTOQJQBSA-N 1 0 319.424 2.494 10 0 DEAERO CN(C[C@@H]1CCCO1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000187361467 402496306 /nfs/dbraw/zinc/49/63/06/402496306.db2.gz FRMMLNSZKAOHMH-QWHCGFSZSA-N 1 0 311.451 2.171 10 0 DEAERO CC(C)Oc1cccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000169013179 402499626 /nfs/dbraw/zinc/49/96/26/402499626.db2.gz IPTDMQQHEMUITD-AWEZNQCLSA-N 1 0 305.422 2.473 10 0 DEAERO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000245997072 402502502 /nfs/dbraw/zinc/50/25/02/402502502.db2.gz CNXOUWBGIBHGJF-CABCVRRESA-N 1 0 307.390 2.338 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246001863 402502928 /nfs/dbraw/zinc/50/29/28/402502928.db2.gz FOIDJCONTGAUDG-IJLUTSLNSA-N 1 0 307.360 2.453 10 0 DEAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CCCO1 ZINC000246042641 402505168 /nfs/dbraw/zinc/50/51/68/402505168.db2.gz YPMKLMZYKJENSZ-QKPAOTATSA-N 1 0 311.470 2.173 10 0 DEAERO CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1)C1CC1 ZINC000178509924 402505689 /nfs/dbraw/zinc/50/56/89/402505689.db2.gz KCLYELKJGKINAU-CQSZACIVSA-N 1 0 324.465 2.297 10 0 DEAERO CO[C@@H]1CN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC[C@@H]1C ZINC000187620054 402505934 /nfs/dbraw/zinc/50/59/34/402505934.db2.gz RTCZDMUUXDDZMP-QKPAOTATSA-N 1 0 311.470 2.173 10 0 DEAERO COc1ccccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000246062816 402506539 /nfs/dbraw/zinc/50/65/39/402506539.db2.gz YNNOTBCKKDIDRO-HOTGVXAUSA-N 1 0 317.433 2.321 10 0 DEAERO CO[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC[C@@H]1C ZINC000187640507 402506916 /nfs/dbraw/zinc/50/69/16/402506916.db2.gz OYFCURJPPBPYRJ-HRCADAONSA-N 1 0 311.470 2.031 10 0 DEAERO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187718230 402509437 /nfs/dbraw/zinc/50/94/37/402509437.db2.gz FUZYFUMTVZKSCD-JTQLQIEISA-N 1 0 319.336 2.025 10 0 DEAERO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCCOC2)cc1 ZINC000170934879 402543158 /nfs/dbraw/zinc/54/31/58/402543158.db2.gz SOLAUTGKWYYGJA-INIZCTEOSA-N 1 0 320.433 2.316 10 0 DEAERO Cc1nccn1-c1ccc([C@H](C)NC(=O)CC(C)(C)[NH3+])cc1 ZINC000178845732 402546121 /nfs/dbraw/zinc/54/61/21/402546121.db2.gz XNGRPWFWBKPIAJ-LBPRGKRZSA-N 1 0 300.406 2.485 10 0 DEAERO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246816772 402546230 /nfs/dbraw/zinc/54/62/30/402546230.db2.gz AKBYFEWXOHNKSL-ZIAGYGMSSA-N 1 0 310.438 2.051 10 0 DEAERO CC(C)[C@@H](O)CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178868407 402548505 /nfs/dbraw/zinc/54/85/05/402548505.db2.gz BLXKSIIJIVYOHF-KRWDZBQOSA-N 1 0 304.434 2.306 10 0 DEAERO Cc1cc(C)cc(OC[C@@H](O)CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000246921151 402549925 /nfs/dbraw/zinc/54/99/25/402549925.db2.gz SMQLJNPDELQLPY-ROUUACIJSA-N 1 0 318.461 2.213 10 0 DEAERO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246941914 402550515 /nfs/dbraw/zinc/55/05/15/402550515.db2.gz WWCNXIOCGXQZOV-KYJSFNMBSA-N 1 0 314.429 2.465 10 0 DEAERO CC(C)[C@@H](O)CC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000178901034 402552628 /nfs/dbraw/zinc/55/26/28/402552628.db2.gz ISTXBWJQKSKPGP-KRWDZBQOSA-N 1 0 319.449 2.174 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000171074260 402554644 /nfs/dbraw/zinc/55/46/44/402554644.db2.gz QTKWJVDSCUDADF-OAHLLOKOSA-N 1 0 316.405 2.203 10 0 DEAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247134788 402557940 /nfs/dbraw/zinc/55/79/40/402557940.db2.gz SONKXUIWFDNCSG-QLFBSQMISA-N 1 0 324.465 2.440 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)[C@@H]1C ZINC000247234190 402560595 /nfs/dbraw/zinc/56/05/95/402560595.db2.gz MUDRGGMFPCWXLS-MTSZKFMLSA-N 1 0 307.482 2.096 10 0 DEAERO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247237890 402560743 /nfs/dbraw/zinc/56/07/43/402560743.db2.gz ZTEYKUUANUSWNF-MELADBBJSA-N 1 0 312.454 2.343 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCCCOCc1ccccc1 ZINC000171190400 402565498 /nfs/dbraw/zinc/56/54/98/402565498.db2.gz WIGVJHVPSIORSH-KRWDZBQOSA-N 1 0 319.449 2.377 10 0 DEAERO COc1cnccc1[C@@H](C)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000189955838 402568407 /nfs/dbraw/zinc/56/84/07/402568407.db2.gz OLTCHFJNTVHJSS-UONOGXRCSA-N 1 0 320.437 2.325 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000247480861 402568946 /nfs/dbraw/zinc/56/89/46/402568946.db2.gz JKSRDJIFHCOFRR-ARFHVFGLSA-N 1 0 311.470 2.317 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000190098302 402575758 /nfs/dbraw/zinc/57/57/58/402575758.db2.gz FUFFJRPZPCPCHR-JSGCOSHPSA-N 1 0 317.364 2.443 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000247560459 402572215 /nfs/dbraw/zinc/57/22/15/402572215.db2.gz ZZXIXTYLCMASDW-PWSUYJOCSA-N 1 0 302.353 2.011 10 0 DEAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246189630 402516823 /nfs/dbraw/zinc/51/68/23/402516823.db2.gz MABXUBNNZJBTOU-JZXOWHBKSA-N 1 0 315.461 2.422 10 0 DEAERO Cc1cc(C)n(Cc2ccc(C(=O)NCC[C@@H](C)[NH3+])cc2)n1 ZINC000178621830 402518401 /nfs/dbraw/zinc/51/84/01/402518401.db2.gz IAYAFJYAIQMMCZ-GFCCVEGCSA-N 1 0 300.406 2.015 10 0 DEAERO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[N@@H+](C2CC2)CC1 ZINC000246223868 402519020 /nfs/dbraw/zinc/51/90/20/402519020.db2.gz ZYHOOUHVXDWADJ-VYDXJSESSA-N 1 0 307.482 2.240 10 0 DEAERO CC(C)[C@H](NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000178628306 402519589 /nfs/dbraw/zinc/51/95/89/402519589.db2.gz UJYMOIGSMDTESQ-MJGOQNOKSA-N 1 0 315.461 2.280 10 0 DEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)C1CCOCC1)CC2 ZINC000246243542 402519692 /nfs/dbraw/zinc/51/96/92/402519692.db2.gz MJUGYDMALXITLO-UAGQMJEPSA-N 1 0 323.481 2.458 10 0 DEAERO C[C@H](CNC(=O)NCCCc1ccccn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246258473 402521483 /nfs/dbraw/zinc/52/14/83/402521483.db2.gz WPMAWNCQMFSXBS-HZPDHXFCSA-N 1 0 318.465 2.434 10 0 DEAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC(C)(C)O2)C1 ZINC000188672876 402523582 /nfs/dbraw/zinc/52/35/82/402523582.db2.gz FVBNJMOLGIZHMS-CABCVRRESA-N 1 0 311.470 2.364 10 0 DEAERO O=C(c1ncncc1Cl)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178669129 402523865 /nfs/dbraw/zinc/52/38/65/402523865.db2.gz ZWFYKJZLLSPIGE-FZMZJTMJSA-N 1 0 320.824 2.219 10 0 DEAERO CCSCC[C@H](C)[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246331507 402525236 /nfs/dbraw/zinc/52/52/36/402525236.db2.gz NTCYDBLUFUYTIB-UONOGXRCSA-N 1 0 322.540 2.122 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2coc(-c3cccs3)n2)C1 ZINC000170827576 402529614 /nfs/dbraw/zinc/52/96/14/402529614.db2.gz RCQKFLQMVFWKOE-GFCCVEGCSA-N 1 0 320.418 2.249 10 0 DEAERO Cc1ocnc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189016517 402530136 /nfs/dbraw/zinc/53/01/36/402530136.db2.gz PKVAGSWZOBRUHZ-RISCZKNCSA-N 1 0 321.327 2.137 10 0 DEAERO COc1ccc(Cl)cc1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170831578 402530458 /nfs/dbraw/zinc/53/04/58/402530458.db2.gz DSZONEVXBNJTJE-CYBMUJFWSA-N 1 0 311.813 2.194 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCOc2cccc(Cl)c2)C1 ZINC000170831506 402530527 /nfs/dbraw/zinc/53/05/27/402530527.db2.gz YJHAPVFWFAGDBZ-CYBMUJFWSA-N 1 0 311.813 2.064 10 0 DEAERO CO[C@H]1C[N@H+](CC(=O)NCCc2ccc(Cl)cc2)CC[C@H]1C ZINC000189316802 402533781 /nfs/dbraw/zinc/53/37/81/402533781.db2.gz ROWANJCMUDBZDD-CJNGLKHVSA-N 1 0 324.852 2.356 10 0 DEAERO Cc1cnccc1CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000190072008 402574051 /nfs/dbraw/zinc/57/40/51/402574051.db2.gz SCEIYSCLAZIHKI-QGZVFWFLSA-N 1 0 312.417 2.492 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)/C=C/c2nc3ccccc3s2)C1 ZINC000170861238 402534223 /nfs/dbraw/zinc/53/42/23/402534223.db2.gz CZUXPKRRNQLOOU-ABZNLYFFSA-N 1 0 301.415 2.472 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000170861748 402534442 /nfs/dbraw/zinc/53/44/42/402534442.db2.gz RYSOOCRJESVBPN-WBVHZDCISA-N 1 0 318.417 2.021 10 0 DEAERO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cnn1Cc1ccccc1 ZINC000170866190 402534878 /nfs/dbraw/zinc/53/48/78/402534878.db2.gz NNGNTTCCVOTDBN-MRXNPFEDSA-N 1 0 312.417 2.016 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000170864641 402535063 /nfs/dbraw/zinc/53/50/63/402535063.db2.gz BIACITXNKFDLEL-CQSZACIVSA-N 1 0 318.808 2.302 10 0 DEAERO CCCC[C@H](COC)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246543672 402535939 /nfs/dbraw/zinc/53/59/39/402535939.db2.gz YGRHPTBRVLXBLD-BZUAXINKSA-N 1 0 311.470 2.460 10 0 DEAERO Cc1sc(-c2ccco2)nc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170867858 402535976 /nfs/dbraw/zinc/53/59/76/402535976.db2.gz NHCSICABEXVSFB-LLVKDONJSA-N 1 0 305.403 2.488 10 0 DEAERO CCCCSCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000246681327 402540289 /nfs/dbraw/zinc/54/02/89/402540289.db2.gz AXYBFZYODHAYRQ-GJZGRUSLSA-N 1 0 316.511 2.213 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCCc1ccccn1 ZINC000179175162 402578388 /nfs/dbraw/zinc/57/83/88/402578388.db2.gz XANROCVPYGXBFH-INIZCTEOSA-N 1 0 306.454 2.290 10 0 DEAERO CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc3c(c2)CCO3)C1 ZINC000190144431 402578958 /nfs/dbraw/zinc/57/89/58/402578958.db2.gz NIODOUVEEIUTAF-LSDHHAIUSA-N 1 0 315.373 2.275 10 0 DEAERO O=C1[C@H](N2CC[N@@H+]3CCC[C@@H]3C2)CCCN1c1ccccc1F ZINC000179310667 402584609 /nfs/dbraw/zinc/58/46/09/402584609.db2.gz MGLINLPOLHRZSW-RHSMWYFYSA-N 1 0 317.408 2.101 10 0 DEAERO O=C(c1cc(C2CCCCC2)n[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179343143 402585670 /nfs/dbraw/zinc/58/56/70/402585670.db2.gz MRXGIAULJGYFHY-CQSZACIVSA-N 1 0 302.422 2.378 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1Cc2ccccc2C1 ZINC000248397763 402588967 /nfs/dbraw/zinc/58/89/67/402588967.db2.gz MCNRAJIASZWVIC-ROUUACIJSA-N 1 0 313.445 2.422 10 0 DEAERO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](n3cncn3)C2)o1 ZINC000179465041 402590475 /nfs/dbraw/zinc/59/04/75/402590475.db2.gz UZGDFTHEZKUUEB-AWEZNQCLSA-N 1 0 312.377 2.407 10 0 DEAERO CC[C@H](C)[C@@H](C)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248461525 402591862 /nfs/dbraw/zinc/59/18/62/402591862.db2.gz VBVCXEXQOADXDJ-SOUVJXGZSA-N 1 0 313.486 2.155 10 0 DEAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000248483955 402592594 /nfs/dbraw/zinc/59/25/94/402592594.db2.gz JURWQZUDGANMMU-BRWVUGGUSA-N 1 0 308.466 2.384 10 0 DEAERO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000248483956 402592635 /nfs/dbraw/zinc/59/26/35/402592635.db2.gz JURWQZUDGANMMU-IXDOHACOSA-N 1 0 308.466 2.384 10 0 DEAERO OCCO[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000179581214 402594946 /nfs/dbraw/zinc/59/49/46/402594946.db2.gz LXHLIKGCMPOIOA-INIZCTEOSA-N 1 0 301.390 2.050 10 0 DEAERO O=C(N1CC[N@@H+]2CCC[C@@H]2C1)C1(c2ccccc2)CCOCC1 ZINC000171586460 402597680 /nfs/dbraw/zinc/59/76/80/402597680.db2.gz CNUNUCJINWTLEB-QGZVFWFLSA-N 1 0 314.429 2.041 10 0 DEAERO COCOc1ccc(OC)cc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000179732413 402598930 /nfs/dbraw/zinc/59/89/30/402598930.db2.gz VNHDVZPOMOHRCS-UHFFFAOYSA-N 1 0 320.433 2.348 10 0 DEAERO CCc1ccccc1NC(=O)[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000171600721 402599837 /nfs/dbraw/zinc/59/98/37/402599837.db2.gz YJMPUNGOYWYGOC-AWEZNQCLSA-N 1 0 300.406 2.371 10 0 DEAERO Cc1cc2c(cc1C)[C@H](C(=O)N1CC[N@@H+]3CCCC[C@H]3C1)CO2 ZINC000248640932 402600314 /nfs/dbraw/zinc/60/03/14/402600314.db2.gz NXYJFSAJFUXZGU-DOTOQJQBSA-N 1 0 314.429 2.476 10 0 DEAERO O=C(N[C@H]1CCCOC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000171611624 402601383 /nfs/dbraw/zinc/60/13/83/402601383.db2.gz VHKGCMARAWKDNX-KRWDZBQOSA-N 1 0 323.481 2.463 10 0 DEAERO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCOC1 ZINC000171614381 402601393 /nfs/dbraw/zinc/60/13/93/402601393.db2.gz VRHYFYAQAXWHRR-INIZCTEOSA-N 1 0 323.412 2.078 10 0 DEAERO O=C(N[C@@H]1CCCOC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000171618903 402602142 /nfs/dbraw/zinc/60/21/42/402602142.db2.gz XHSRMDAKZVFWJG-QGZVFWFLSA-N 1 0 317.433 2.083 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000190475258 402604229 /nfs/dbraw/zinc/60/42/29/402604229.db2.gz CJUHDITZZRNCIM-RDJZCZTQSA-N 1 0 304.434 2.392 10 0 DEAERO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171635618 402604673 /nfs/dbraw/zinc/60/46/73/402604673.db2.gz OPCOXLCXPSNUHU-OAHLLOKOSA-N 1 0 314.389 2.197 10 0 DEAERO O=C1C[C@H](c2ccccc2)[N@H+](C[C@H](O)CC2CCCC2)CCN1 ZINC000190499033 402605722 /nfs/dbraw/zinc/60/57/22/402605722.db2.gz QTWDAIUGSMRRCN-QZTJIDSGSA-N 1 0 316.445 2.491 10 0 DEAERO Cc1cc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)on1 ZINC000171684330 402609506 /nfs/dbraw/zinc/60/95/06/402609506.db2.gz BXNUTXZWYNCYEM-AWEZNQCLSA-N 1 0 306.410 2.143 10 0 DEAERO C[NH+](C)C[C@@H]1CN(c2nc(C(F)F)nc3ccccc32)CCO1 ZINC000171727840 402615633 /nfs/dbraw/zinc/61/56/33/402615633.db2.gz RMTRSKVYDAMZMH-LLVKDONJSA-N 1 0 322.359 2.334 10 0 DEAERO C[C@@H](O)C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H](C)CO ZINC000190860915 402628290 /nfs/dbraw/zinc/62/82/90/402628290.db2.gz YFZYMFJFEXQIJW-UONOGXRCSA-N 1 0 323.433 2.206 10 0 DEAERO CN(C(=O)NCC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171759556 402619175 /nfs/dbraw/zinc/61/91/75/402619175.db2.gz MHFIVZGQBIFHAB-UHFFFAOYSA-N 1 0 321.469 2.035 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000190701259 402619252 /nfs/dbraw/zinc/61/92/52/402619252.db2.gz GABQBQMKBZGCSG-HOCLYGCPSA-N 1 0 320.433 2.058 10 0 DEAERO CCn1cc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cn1 ZINC000180535882 402619740 /nfs/dbraw/zinc/61/97/40/402619740.db2.gz KSRQWBZHUKEVRW-JSGCOSHPSA-N 1 0 302.426 2.284 10 0 DEAERO COc1ccccc1/C=C/C[NH2+]CCN1CCOC(C)(C)C1 ZINC000171766583 402620223 /nfs/dbraw/zinc/62/02/23/402620223.db2.gz JHVKJJJUPAYFIC-SOFGYWHQSA-N 1 0 304.434 2.409 10 0 DEAERO COCc1cccc(CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000249123508 402621296 /nfs/dbraw/zinc/62/12/96/402621296.db2.gz AXYSRRAUCYMWMS-WMLDXEAASA-N 1 0 304.434 2.220 10 0 DEAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000249243313 402623700 /nfs/dbraw/zinc/62/37/00/402623700.db2.gz SEVUWSVEUUVOKI-MJBXVCDLSA-N 1 0 315.421 2.221 10 0 DEAERO Cc1ccc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1O ZINC000180766374 402624974 /nfs/dbraw/zinc/62/49/74/402624974.db2.gz GWZYOZSLULGTFX-CQSZACIVSA-N 1 0 318.417 2.026 10 0 DEAERO COc1ccc(CN(C)C(=O)[C@]2(C)CCCC[NH2+]2)c(OC)c1 ZINC000180903366 402629725 /nfs/dbraw/zinc/62/97/25/402629725.db2.gz AUCBSQJSJNGMML-KRWDZBQOSA-N 1 0 306.406 2.194 10 0 DEAERO C[C@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1cccc(O)c1 ZINC000171945730 402635167 /nfs/dbraw/zinc/63/51/67/402635167.db2.gz QUBRBEOHVSWOQL-ZDUSSCGKSA-N 1 0 303.406 2.333 10 0 DEAERO Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3cnn(C)c3)C2=O)c(C)c1 ZINC000190956496 402633550 /nfs/dbraw/zinc/63/35/50/402633550.db2.gz CTLSMFLEAMJQMH-MRXNPFEDSA-N 1 0 312.417 2.240 10 0 DEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000249720106 402639223 /nfs/dbraw/zinc/63/92/23/402639223.db2.gz LTWLKVIZQSXFGJ-FJIDUMEYSA-N 1 0 317.429 2.396 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)NC[C@@H]2CCCOC2)ccc1F ZINC000172077491 402639798 /nfs/dbraw/zinc/63/97/98/402639798.db2.gz XFYKOOCCOONFQU-AWEZNQCLSA-N 1 0 323.412 2.113 10 0 DEAERO C[C@@H](CCC(=O)N1CCN(CCO)[C@H](C)C1)c1ccccc1 ZINC000250051335 402644580 /nfs/dbraw/zinc/64/45/80/402644580.db2.gz LXOQAUYLUKTMFB-JKSUJKDBSA-N 1 0 304.434 2.095 10 0 DEAERO C[C@H]1C[C@H](N(C)Cc2nnc(C3CC3)n2C2CC2)CC[N@@H+]1C ZINC000181411415 402644992 /nfs/dbraw/zinc/64/49/92/402644992.db2.gz BYOXABFNCATQFY-SWLSCSKDSA-N 1 0 303.454 2.405 10 0 DEAERO CCOc1c(Cl)cccc1CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000191183985 402649113 /nfs/dbraw/zinc/64/91/13/402649113.db2.gz DIZYZAMCZANJEM-ZDUSSCGKSA-N 1 0 310.825 2.444 10 0 DEAERO Cc1c([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cnn1C(C)C ZINC000191202209 402650326 /nfs/dbraw/zinc/65/03/26/402650326.db2.gz XSXYBMKIKFYRBA-HOCLYGCPSA-N 1 0 308.470 2.270 10 0 DEAERO CO[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC[C@H]1C ZINC000251914408 402651788 /nfs/dbraw/zinc/65/17/88/402651788.db2.gz RYKGNCHQFHRCMX-JHJVBQTASA-N 1 0 322.371 2.144 10 0 DEAERO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000252003233 402652116 /nfs/dbraw/zinc/65/21/16/402652116.db2.gz WTUJWTALHAQUKV-OCCSQVGLSA-N 1 0 322.371 2.024 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)C1(C)C ZINC000181729193 402655204 /nfs/dbraw/zinc/65/52/04/402655204.db2.gz KGQIVZPRWKCPIR-GVDBMIGSSA-N 1 0 318.461 2.479 10 0 DEAERO Cc1ccc(OCCC[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1C ZINC000173949134 402721064 /nfs/dbraw/zinc/72/10/64/402721064.db2.gz PWTCWEAQKXDBDY-SFHVURJKSA-N 1 0 318.461 2.479 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(Cc2nnc(-c3ccccc3)n2C)C1 ZINC000173845092 402715148 /nfs/dbraw/zinc/71/51/48/402715148.db2.gz AIXLDYDMNVFAKJ-MRXNPFEDSA-N 1 0 313.449 2.398 10 0 DEAERO CC(C)OCCCCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000182785455 402715598 /nfs/dbraw/zinc/71/55/98/402715598.db2.gz NDSDDRZPMOAQDR-UHFFFAOYSA-N 1 0 311.470 2.461 10 0 DEAERO CC(C)CCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C 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DEAERO Cc1ccccc1CNC(=O)[C@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172543561 402662056 /nfs/dbraw/zinc/66/20/56/402662056.db2.gz SFZRRQIBWCWEFO-INIZCTEOSA-N 1 0 315.461 2.170 10 0 DEAERO COCCC[N@H+](C)CCNC(=O)c1c[nH]c2cc(F)ccc12 ZINC000181999635 402663344 /nfs/dbraw/zinc/66/33/44/402663344.db2.gz QFOYPBFUUHTPHZ-UHFFFAOYSA-N 1 0 307.369 2.005 10 0 DEAERO O=C(NCC[C@H]1CCCCO1)N1CCC([NH+]2CCCC2)CC1 ZINC000182184736 402670074 /nfs/dbraw/zinc/67/00/74/402670074.db2.gz ZYADYHDDDIFHNO-MRXNPFEDSA-N 1 0 309.454 2.215 10 0 DEAERO CN(Cc1ccc(F)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000172707443 402670734 /nfs/dbraw/zinc/67/07/34/402670734.db2.gz HFTHHAXLTICQHJ-UHFFFAOYSA-N 1 0 319.384 2.248 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC000172728076 402672245 /nfs/dbraw/zinc/67/22/45/402672245.db2.gz ZFAGRINUZITZPA-JKSUJKDBSA-N 1 0 324.465 2.204 10 0 DEAERO Cc1occc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000172753241 402673488 /nfs/dbraw/zinc/67/34/88/402673488.db2.gz 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402726078 /nfs/dbraw/zinc/72/60/78/402726078.db2.gz WGIJBHIWRUQAID-IRXDYDNUSA-N 1 0 302.418 2.285 10 0 DEAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NCc1ccccc1F ZINC000182920633 402727324 /nfs/dbraw/zinc/72/73/24/402727324.db2.gz XPLUNDLUSIZOKS-CXAGYDPISA-N 1 0 316.376 2.154 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccc(Cl)s1 ZINC000182991736 402731234 /nfs/dbraw/zinc/73/12/34/402731234.db2.gz DGHLIMTXBMTPLU-SSDOTTSWSA-N 1 0 301.799 2.040 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccccc1C(F)(F)F ZINC000262825979 402734379 /nfs/dbraw/zinc/73/43/79/402734379.db2.gz PWBDNCBCRZLYDF-MFKMUULPSA-N 1 0 300.324 2.362 10 0 DEAERO Cc1cc(S(=O)(=O)N[C@@H](CN(C)C)c2ccccc2)c(C)o1 ZINC000183050975 402735386 /nfs/dbraw/zinc/73/53/86/402735386.db2.gz MADYPCUIKNSJPQ-HNNXBMFYSA-N 1 0 322.430 2.478 10 0 DEAERO C[C@@H]([NH3+])CCC(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000262841822 402735519 /nfs/dbraw/zinc/73/55/19/402735519.db2.gz RIRHAPJAADSTFF-QMTHXVAHSA-N 1 0 302.378 2.480 10 0 DEAERO CCO[C@@H](CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C(C)C ZINC000174324506 402736841 /nfs/dbraw/zinc/73/68/41/402736841.db2.gz FREGVLPPANEOQL-CVEARBPZSA-N 1 0 309.454 2.093 10 0 DEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2ccccc2Cl)C[C@H]1C ZINC000174321072 402736872 /nfs/dbraw/zinc/73/68/72/402736872.db2.gz OPUAUQPNUUVXRE-ZIAGYGMSSA-N 1 0 324.852 2.186 10 0 DEAERO CCCNc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000192604344 402740008 /nfs/dbraw/zinc/74/00/08/402740008.db2.gz LKZKETNRDGWFQH-QGZVFWFLSA-N 1 0 316.449 2.498 10 0 DEAERO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183152661 402743221 /nfs/dbraw/zinc/74/32/21/402743221.db2.gz KAFZJCUNAKNXIT-GXFFZTMASA-N 1 0 312.797 2.444 10 0 DEAERO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000183187972 402745555 /nfs/dbraw/zinc/74/55/55/402745555.db2.gz JKEHHSKGCULUHR-ZBFHGGJFSA-N 1 0 311.447 2.316 10 0 DEAERO CC[C@H](Oc1ccccc1F)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263238967 402748887 /nfs/dbraw/zinc/74/88/87/402748887.db2.gz OJQWUHFVGFPGBE-STQMWFEESA-N 1 0 320.368 2.315 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)oc2C)[C@H](C)C1 ZINC000183233670 402749198 /nfs/dbraw/zinc/74/91/98/402749198.db2.gz IOLIOBUVEOPTCL-BXUZGUMPSA-N 1 0 314.451 2.247 10 0 DEAERO CN1CC[NH2+]C[C@H]1c1noc(/C=C/c2ccnc3ccccc23)n1 ZINC000263243918 402749699 /nfs/dbraw/zinc/74/96/99/402749699.db2.gz PBLPHFVSMKWFMY-MOEXGYKKSA-N 1 0 321.384 2.364 10 0 DEAERO CC[C@@H]1CN(C(=O)Cc2cccc(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174638044 402749735 /nfs/dbraw/zinc/74/97/35/402749735.db2.gz YGMWTTIAAXRPOT-CZUORRHYSA-N 1 0 324.852 2.186 10 0 DEAERO COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C)OC)CC[N@@H+]2C2CC2)c1 ZINC000183258462 402750871 /nfs/dbraw/zinc/75/08/71/402750871.db2.gz SARMJUCZPBKZJV-OAUYIBNBSA-N 1 0 318.417 2.124 10 0 DEAERO CS[C@H](c1nc([C@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263275994 402753088 /nfs/dbraw/zinc/75/30/88/402753088.db2.gz SWFIFPHKCLURES-OLZOCXBDSA-N 1 0 304.419 2.098 10 0 DEAERO COc1cc(-c2ccccc2)ccc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263316711 402757874 /nfs/dbraw/zinc/75/78/74/402757874.db2.gz ZNKTUJMSGLCSBM-QZTJIDSGSA-N 1 0 312.413 2.032 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](O)c1ccc(C)cc1 ZINC000192993822 402759695 /nfs/dbraw/zinc/75/96/95/402759695.db2.gz MLJZDYRVNIGYMR-GOEBONIOSA-N 1 0 307.438 2.058 10 0 DEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(C(=O)OC)co1 ZINC000183434124 402767085 /nfs/dbraw/zinc/76/70/85/402767085.db2.gz LYCAJNNDFKTEIT-GFCCVEGCSA-N 1 0 310.394 2.307 10 0 DEAERO OCC[C@]1(C[NH2+]Cc2cnc(-c3ccco3)s2)CCOC1 ZINC000193152395 402767601 /nfs/dbraw/zinc/76/76/01/402767601.db2.gz GIBKRLDXQKUIAE-OAHLLOKOSA-N 1 0 308.403 2.282 10 0 DEAERO COc1cc(C[NH2+]CCCCO)cc(Br)c1O ZINC000193275841 402769023 /nfs/dbraw/zinc/76/90/23/402769023.db2.gz HADUSBRKPHPPDZ-UHFFFAOYSA-N 1 0 304.184 2.025 10 0 DEAERO COCCCNC(=O)C[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183474393 402770197 /nfs/dbraw/zinc/77/01/97/402770197.db2.gz OZJMYEIMWVHGDN-INIZCTEOSA-N 1 0 304.434 2.245 10 0 DEAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)NCC3(C)CCC3)CC2)CCO1 ZINC000174996489 402770269 /nfs/dbraw/zinc/77/02/69/402770269.db2.gz SBZTTWKIRKSUQH-CQSZACIVSA-N 1 0 309.454 2.071 10 0 DEAERO COc1ccc(/C=C/C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1O ZINC000183502907 402772532 /nfs/dbraw/zinc/77/25/32/402772532.db2.gz UHXXKZNRFJUAAP-PMGBHYCQSA-N 1 0 316.401 2.111 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1nc(C(C)C)no1 ZINC000175043332 402774090 /nfs/dbraw/zinc/77/40/90/402774090.db2.gz KLVFIDFFKIMWFJ-ZIAGYGMSSA-N 1 0 320.437 2.211 10 0 DEAERO NC(=O)[C@@H]1CCCCN1Cc1ncc(-c2cccc(F)c2)o1 ZINC000175068246 402775865 /nfs/dbraw/zinc/77/58/65/402775865.db2.gz LUFQPDSXMGJBBT-ZDUSSCGKSA-N 1 0 303.337 2.321 10 0 DEAERO CCCOc1ccc(CNC(=O)c2c[nH+]ccc2N(C)C)cn1 ZINC000183560344 402776144 /nfs/dbraw/zinc/77/61/44/402776144.db2.gz SRFHDVKGUUCUJR-UHFFFAOYSA-N 1 0 314.389 2.261 10 0 DEAERO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@@H]1CCCOC1 ZINC000183563414 402776265 /nfs/dbraw/zinc/77/62/65/402776265.db2.gz LTIOEUVJPIHBSC-AEFFLSMTSA-N 1 0 304.434 2.137 10 0 DEAERO COc1cc(CCNC(=O)c2c[nH+]ccc2N(C)C)ccc1C ZINC000183584013 402778315 /nfs/dbraw/zinc/77/83/15/402778315.db2.gz RYDBQHAHXNGRTF-UHFFFAOYSA-N 1 0 313.401 2.437 10 0 DEAERO OCC1CC[NH+](Cc2cccc(NCc3cocn3)c2)CC1 ZINC000192324111 402723166 /nfs/dbraw/zinc/72/31/66/402723166.db2.gz PBQMPCZDRYIRBD-UHFFFAOYSA-N 1 0 301.390 2.491 10 0 DEAERO C[C@@H](C(=O)N1CCC(Cn2cccn2)CC1)[NH+]1CCCCCC1 ZINC000174049436 402724857 /nfs/dbraw/zinc/72/48/57/402724857.db2.gz JELIPGMAHVWMKV-INIZCTEOSA-N 1 0 318.465 2.386 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C(=O)OC)ccc2C)C1 ZINC000194320959 402792286 /nfs/dbraw/zinc/79/22/86/402792286.db2.gz WNAXUUCEDNZRSN-AWEZNQCLSA-N 1 0 319.405 2.387 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000194333673 402792601 /nfs/dbraw/zinc/79/26/01/402792601.db2.gz MVNZABKBCHQUIR-AWEZNQCLSA-N 1 0 316.405 2.177 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OCCOC)cc2)C1 ZINC000194335941 402792853 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CCN1CCCC[C@@H]1C(=O)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000183855904 402801799 /nfs/dbraw/zinc/80/17/99/402801799.db2.gz VLEHFNCJFPRRHH-SPLOXXLWSA-N 1 0 314.495 2.011 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)Cc1ccccc1C ZINC000175395841 402803257 /nfs/dbraw/zinc/80/32/57/402803257.db2.gz LUFWBQTWRUNPJJ-MRXNPFEDSA-N 1 0 310.463 2.241 10 0 DEAERO Cc1cc(C)c(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)o1 ZINC000175407978 402804227 /nfs/dbraw/zinc/80/42/27/402804227.db2.gz OEQOCEVHFUZTSB-MRXNPFEDSA-N 1 0 319.449 2.139 10 0 DEAERO c1cc(-c2nc(CN3CCC[N@@H+](C4CC4)CC3)no2)cs1 ZINC000195338049 402842833 /nfs/dbraw/zinc/84/28/33/402842833.db2.gz XTFSYXVFOAAACG-UHFFFAOYSA-N 1 0 304.419 2.468 10 0 DEAERO C[C@H](CC1CCCCC1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000194621907 402806044 /nfs/dbraw/zinc/80/60/44/402806044.db2.gz YFCABZAZVONBMY-GDBMZVCRSA-N 1 0 311.470 2.317 10 0 DEAERO O=C(c1cnc(-c2ccccc2)nc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195338051 402842888 /nfs/dbraw/zinc/84/28/88/402842888.db2.gz 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C[C@@H](CN(C)Cc1ccccc1)[NH2+]CCCc1cnn(C)c1 ZINC000314375724 403997189 /nfs/dbraw/zinc/99/71/89/403997189.db2.gz QLMNYMLZUKHKLZ-INIZCTEOSA-N 1 0 300.450 2.463 10 0 DEAERO C[C@@H](CC[NH2+]Cc1cccc(O)c1Br)[S@](C)=O ZINC000315457404 404011587 /nfs/dbraw/zinc/01/15/87/404011587.db2.gz XBWDLCFMZSMNRK-XYZCENFISA-N 1 0 320.252 2.401 10 0 DEAERO O=C(CNCc1cc(Cl)sc1Cl)N1CCOCC1 ZINC000312601400 403973338 /nfs/dbraw/zinc/97/33/38/403973338.db2.gz MIDPPVXCUKZHFW-UHFFFAOYSA-N 1 0 309.218 2.003 10 0 DEAERO Cn1ccc(N2CC[C@@H]([NH2+]Cc3cc4ccccc4[nH]c3=O)C2)n1 ZINC000363182844 404106936 /nfs/dbraw/zinc/10/69/36/404106936.db2.gz HWQFHPXDICCVTR-OAHLLOKOSA-N 1 0 323.400 2.042 10 0 DEAERO O=C1NCC[C@@H]1[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000329129791 404240085 /nfs/dbraw/zinc/24/00/85/404240085.db2.gz NYQJXPWVKYBNOV-IIYDPXPESA-N 1 0 316.405 2.104 10 0 DEAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338294725 404360784 /nfs/dbraw/zinc/36/07/84/404360784.db2.gz 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/nfs/dbraw/zinc/24/48/98/406244898.db2.gz HJAXNIBVERYZHM-CFVMTHIKSA-N 1 0 321.469 2.211 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CSc1nc2ccccc2o1 ZINC000537214707 406285888 /nfs/dbraw/zinc/28/58/88/406285888.db2.gz RUTVRNVOZJWDPK-UHFFFAOYSA-N 1 0 307.419 2.330 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2CCCCC[C@H]([NH3+])C2)c1 ZINC000632917788 406319288 /nfs/dbraw/zinc/31/92/88/406319288.db2.gz AJCWJCLWPNXYKC-AWEZNQCLSA-N 1 0 318.421 2.405 10 0 DEAERO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(-n3cccc3)cc2)C1 ZINC000521717582 406363508 /nfs/dbraw/zinc/36/35/08/406363508.db2.gz XTGKFTKRKZPTQX-QGZVFWFLSA-N 1 0 311.429 2.478 10 0 DEAERO O=C(c1occc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570080033 406342370 /nfs/dbraw/zinc/34/23/70/406342370.db2.gz ZLKHCMZHXYVLGD-ZDUSSCGKSA-N 1 0 313.195 2.258 10 0 DEAERO C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000546104235 406350274 /nfs/dbraw/zinc/35/02/74/406350274.db2.gz OHIAYGIIIDIJQY-HIFRSBDPSA-N 1 0 317.351 2.456 10 0 DEAERO CCC[C@H](NC(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C)c1ccccc1 ZINC000488812602 406351203 /nfs/dbraw/zinc/35/12/03/406351203.db2.gz ZUVHKTHBKHPOQX-OIISXLGYSA-N 1 0 304.434 2.347 10 0 DEAERO CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c1C ZINC000632882420 406305266 /nfs/dbraw/zinc/30/52/66/406305266.db2.gz YLRAKSVHJJRPDJ-ZIAGYGMSSA-N 1 0 303.406 2.048 10 0 DEAERO COc1cccc2c1CC[N@H+](C[C@@H](O)CCOC(C)C)CC2 ZINC000489464940 406409251 /nfs/dbraw/zinc/40/92/51/406409251.db2.gz QXRDXIIUEWKBID-INIZCTEOSA-N 1 0 307.434 2.272 10 0 DEAERO c1c(C[N@@H+]2CCC[C@@H]2C2CCCC2)nnn1C[C@@H]1CCOC1 ZINC000637966291 406500198 /nfs/dbraw/zinc/50/01/98/406500198.db2.gz XDWKADJCVXUOIR-WMLDXEAASA-N 1 0 304.438 2.469 10 0 DEAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2(C)C)c2ccccc21 ZINC000571261063 406497126 /nfs/dbraw/zinc/49/71/26/406497126.db2.gz SQKNCFRALDRFJE-GDBMZVCRSA-N 1 0 315.417 2.131 10 0 DEAERO COc1ccccc1NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637869023 406455551 /nfs/dbraw/zinc/45/55/51/406455551.db2.gz KNHSWHZIQSCHHW-OAHLLOKOSA-N 1 0 313.401 2.093 10 0 DEAERO c1ccn2c(c1)nnc2C1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000637876461 406457543 /nfs/dbraw/zinc/45/75/43/406457543.db2.gz SUSIJKMCZJDXFD-HNNXBMFYSA-N 1 0 300.406 2.478 10 0 DEAERO CC[C@@]1(CO)CCCN(CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000547974767 406463230 /nfs/dbraw/zinc/46/32/30/406463230.db2.gz INSSOEDNNUHKLL-MRXNPFEDSA-N 1 0 323.462 2.055 10 0 DEAERO O=C(CCC1C[NH2+]C1)N1CC[C@H](COCc2ccccc2)C1 ZINC000638020783 406527452 /nfs/dbraw/zinc/52/74/52/406527452.db2.gz AMQZARASDZBSQL-KRWDZBQOSA-N 1 0 302.418 2.051 10 0 DEAERO Cc1cnc(-c2cccc(NC(=O)[C@@]3(C[NH3+])CCCOC3)c2)o1 ZINC000637985534 406510132 /nfs/dbraw/zinc/51/01/32/406510132.db2.gz GYYFHFJRYLZABM-QGZVFWFLSA-N 1 0 315.373 2.344 10 0 DEAERO C[C@H](NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000637990002 406512710 /nfs/dbraw/zinc/51/27/10/406512710.db2.gz CPMCTOWDFFOGTR-YOEHRIQHSA-N 1 0 303.450 2.141 10 0 DEAERO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000527240135 406601993 /nfs/dbraw/zinc/60/19/93/406601993.db2.gz VPCDJCCIOANBJF-AWEZNQCLSA-N 1 0 318.446 2.282 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000569211654 292397743 /nfs/dbraw/zinc/39/77/43/292397743.db2.gz PUGUNHLRNHFADA-GASCZTMLSA-N 1 0 316.405 2.028 10 0 DEAERO CC(C)([NH3+])c1cn(Cc2ccc(Br)c(F)c2)nn1 ZINC000641138148 406655436 /nfs/dbraw/zinc/65/54/36/406655436.db2.gz GHQXJEIVKSKBDC-UHFFFAOYSA-N 1 0 313.174 2.422 10 0 DEAERO C[C@@H](CN1CCCC1=O)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000491813124 406733254 /nfs/dbraw/zinc/73/32/54/406733254.db2.gz LLWQNEITKYHCND-OOHWJJMZSA-N 1 0 302.418 2.335 10 0 DEAERO CN(Cc1ccc(Br)o1)C(=O)CCC1C[NH2+]C1 ZINC000638382142 406738001 /nfs/dbraw/zinc/73/80/01/406738001.db2.gz SNBFBAJDELMHOZ-UHFFFAOYSA-N 1 0 301.184 2.000 10 0 DEAERO CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)[C@H](C)C1 ZINC000553329399 406750649 /nfs/dbraw/zinc/75/06/49/406750649.db2.gz HERAPKWRKANTGY-ZIAGYGMSSA-N 1 0 318.465 2.191 10 0 DEAERO Cn1ncc(CNCc2ccc(Br)c(F)c2F)n1 ZINC000527707931 406724449 /nfs/dbraw/zinc/72/44/49/406724449.db2.gz IHICTLXZOGGFOK-UHFFFAOYSA-N 1 0 317.137 2.146 10 0 DEAERO COCCOc1ccccc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000128960666 196007246 /nfs/dbraw/zinc/00/72/46/196007246.db2.gz FLQUGAKMKZTCNE-OAHLLOKOSA-N 1 0 322.449 2.418 10 0 DEAERO C[C@H](CC[NH3+])C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000129353611 196041540 /nfs/dbraw/zinc/04/15/40/196041540.db2.gz AGCCFOYFMHJBMW-LLVKDONJSA-N 1 0 315.870 2.031 10 0 DEAERO COc1cc2c(cc1C[NH2+]CC[C@H](C)[S@](C)=O)O[C@H](C)C2 ZINC000129395920 196044796 /nfs/dbraw/zinc/04/47/96/196044796.db2.gz JEBUFYQRDAUQBC-SMDDFHAHSA-N 1 0 311.447 2.265 10 0 DEAERO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000129406175 196045754 /nfs/dbraw/zinc/04/57/54/196045754.db2.gz QMHLXKWPMZPVBQ-MRXNPFEDSA-N 1 0 317.433 2.170 10 0 DEAERO CC1(CNc2ccccc2S(=O)(=O)C(F)F)CC[NH2+]CC1 ZINC000129435372 196048138 /nfs/dbraw/zinc/04/81/38/196048138.db2.gz KLNLNQLSAKEYIP-UHFFFAOYSA-N 1 0 318.389 2.485 10 0 DEAERO Cc1cc(Br)cnc1NC(=O)CC[C@H](C)C[NH3+] ZINC000129562081 196057765 /nfs/dbraw/zinc/05/77/65/196057765.db2.gz UDRRTFYDSZTOMU-QMMMGPOBSA-N 1 0 300.200 2.466 10 0 DEAERO CS[C@@H](C)CC[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000130613409 196095882 /nfs/dbraw/zinc/09/58/82/196095882.db2.gz PSUHGEWNKQILBQ-NSHDSACASA-N 1 0 310.419 2.128 10 0 DEAERO CC[NH+](CC)[C@@H]1CCN(c2cc(OC)ccc2C(N)=S)C1 ZINC000130630229 196097039 /nfs/dbraw/zinc/09/70/39/196097039.db2.gz OENXYGJUPJTVNG-GFCCVEGCSA-N 1 0 307.463 2.250 10 0 DEAERO Cc1csc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000130695306 196102484 /nfs/dbraw/zinc/10/24/84/196102484.db2.gz KPOMTPVUAWUORM-OAHLLOKOSA-N 1 0 308.495 2.053 10 0 DEAERO C[NH2+]C[C@H]1COCCN1Cc1ccc(Br)cc1F ZINC000130733913 196105273 /nfs/dbraw/zinc/10/52/73/196105273.db2.gz VHPLJXLQWKRKFL-LBPRGKRZSA-N 1 0 317.202 2.008 10 0 DEAERO CNc1ncc(Br)c(N[C@H](C)C[NH+]2CCCC2)n1 ZINC000130870597 196119097 /nfs/dbraw/zinc/11/90/97/196119097.db2.gz GFELTCNKRLHWRG-SECBINFHSA-N 1 0 314.231 2.177 10 0 DEAERO C[C@@H]1CC[C@@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)O1 ZINC000130943245 196125524 /nfs/dbraw/zinc/12/55/24/196125524.db2.gz URGQCBHRLCDEAF-KGLIPLIRSA-N 1 0 312.479 2.032 10 0 DEAERO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000130940254 196125649 /nfs/dbraw/zinc/12/56/49/196125649.db2.gz ODTHUPGWQARGMH-QLFBSQMISA-N 1 0 302.484 2.169 10 0 DEAERO CCc1nsc(S[C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)n1 ZINC000131067429 196136608 /nfs/dbraw/zinc/13/66/08/196136608.db2.gz HCNDGGCNIQKAPQ-TVQRCGJNSA-N 1 0 316.496 2.213 10 0 DEAERO C[NH2+][C@@H](c1cccc2c1OCCC2)[C@H]1CCCCS1(=O)=O ZINC000131087896 196138740 /nfs/dbraw/zinc/13/87/40/196138740.db2.gz RGUCAFQEOVTWKH-CABCVRRESA-N 1 0 309.431 2.239 10 0 DEAERO Cc1nsc(S[C@@H]2CCC[C@@]([NH2+]C(C)C)(C(N)=O)C2)n1 ZINC000131107382 196141134 /nfs/dbraw/zinc/14/11/34/196141134.db2.gz UHPCYPZOTKKZDW-MFKMUULPSA-N 1 0 314.480 2.103 10 0 DEAERO CC[NH2+][C@H](C)c1c(CC)nn(CCCS(C)(=O)=O)c1CC ZINC000131115194 196141511 /nfs/dbraw/zinc/14/15/11/196141511.db2.gz IBTYCTBYBSELGS-GFCCVEGCSA-N 1 0 315.483 2.113 10 0 DEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1Sc1nc(C)ns1)OCCO2 ZINC000131301841 196159128 /nfs/dbraw/zinc/15/91/28/196159128.db2.gz YYUUIXAXSIEWSZ-GHMZBOCLSA-N 1 0 315.464 2.212 10 0 DEAERO CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2cc(C[NH3+])ccc2F)C1 ZINC000131362701 196161617 /nfs/dbraw/zinc/16/16/17/196161617.db2.gz FNIPZHRQLQPEGP-GFCCVEGCSA-N 1 0 314.426 2.341 10 0 DEAERO COC(=O)CCn1nc(C)c(C[N@@H+]2CCS[C@@H](C)C2)c1C ZINC000131363590 196163035 /nfs/dbraw/zinc/16/30/35/196163035.db2.gz QVJKIQNFUOOFNW-NSHDSACASA-N 1 0 311.451 2.000 10 0 DEAERO CCOC(=O)[C@H](NCC[NH+](C)C)c1ccc(C(F)F)cc1 ZINC000131507232 196175398 /nfs/dbraw/zinc/17/53/98/196175398.db2.gz BXJVDSNBLUYMDJ-CYBMUJFWSA-N 1 0 300.349 2.380 10 0 DEAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(F)c1Br ZINC000131549399 196178810 /nfs/dbraw/zinc/17/88/10/196178810.db2.gz GCYNHUGSZKAWPT-QMMMGPOBSA-N 1 0 301.159 2.152 10 0 DEAERO COCC[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1Br ZINC000131642537 196187248 /nfs/dbraw/zinc/18/72/48/196187248.db2.gz NKXZJHPDXJHWFU-VIFPVBQESA-N 1 0 321.602 2.405 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000131659804 196189401 /nfs/dbraw/zinc/18/94/01/196189401.db2.gz CTQGCIFDIBYNTL-OLZOCXBDSA-N 1 0 314.451 2.444 10 0 DEAERO CC(C)[NH2+]Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)c[nH]1 ZINC000131733846 196195555 /nfs/dbraw/zinc/19/55/55/196195555.db2.gz IUSSPXXHIXZSOP-STQMWFEESA-N 1 0 313.467 2.179 10 0 DEAERO CC(C)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131755205 196196479 /nfs/dbraw/zinc/19/64/79/196196479.db2.gz SMURGFQZXJUOHY-GJZGRUSLSA-N 1 0 302.484 2.169 10 0 DEAERO O=S(=O)(c1ccccc1NC[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000131913631 196209843 /nfs/dbraw/zinc/20/98/43/196209843.db2.gz GYZFRVVRJDGKNJ-SECBINFHSA-N 1 0 308.325 2.002 10 0 DEAERO [NH3+]C1(C(=O)Nc2cc(Cl)cc3cccnc32)CCOCC1 ZINC000132082890 196225255 /nfs/dbraw/zinc/22/52/55/196225255.db2.gz NVLWMYGGRFVBOA-UHFFFAOYSA-N 1 0 305.765 2.335 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(Cl)c3cccnc23)CCOCC1 ZINC000132144878 196229185 /nfs/dbraw/zinc/22/91/85/196229185.db2.gz HWOQMVBVSYWCQE-UHFFFAOYSA-N 1 0 305.765 2.335 10 0 DEAERO C[C@H](CNC(=O)c1sc2cccnc2c1N)[NH+]1CCCC1 ZINC000132332486 196246668 /nfs/dbraw/zinc/24/66/68/196246668.db2.gz VDZUVJWFWLZTQH-SNVBAGLBSA-N 1 0 304.419 2.093 10 0 DEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1sc2cccnc2c1N ZINC000132216237 196235874 /nfs/dbraw/zinc/23/58/74/196235874.db2.gz XLTQGLWWCIATDD-SNVBAGLBSA-N 1 0 306.435 2.195 10 0 DEAERO C[C@H](CO)[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000132241399 196237925 /nfs/dbraw/zinc/23/79/25/196237925.db2.gz PPPOZEVNNTZJCG-ZJUUUORDSA-N 1 0 308.205 2.046 10 0 DEAERO COC[C@H](NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc(C)o1 ZINC000132416280 196254579 /nfs/dbraw/zinc/25/45/79/196254579.db2.gz VXHCQEXAXGZWTO-CFVMTHIKSA-N 1 0 323.437 2.303 10 0 DEAERO CCC[C@H](C(=O)NCCCc1cc(OC)ccc1OC)[NH+](C)C ZINC000132482724 196258752 /nfs/dbraw/zinc/25/87/52/196258752.db2.gz HTOLHJXLCJRIHR-MRXNPFEDSA-N 1 0 322.449 2.483 10 0 DEAERO C[C@@H]1CCC[C@]1(O)c1c(Br)cnn1CC[NH+](C)C ZINC000132488984 196260071 /nfs/dbraw/zinc/26/00/71/196260071.db2.gz ZRHFBGNGEQDWPZ-ZWNOBZJWSA-N 1 0 316.243 2.215 10 0 DEAERO CC(C)c1noc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000132865850 196291788 /nfs/dbraw/zinc/29/17/88/196291788.db2.gz LSVOXDDBNJIHIK-KGLIPLIRSA-N 1 0 308.426 2.373 10 0 DEAERO [NH3+][C@H]1COC[C@H]1c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000133030084 196305813 /nfs/dbraw/zinc/30/58/13/196305813.db2.gz RUZUPNXYCANEDH-XCBNKYQSSA-N 1 0 300.145 2.485 10 0 DEAERO O[C@@H](Cc1ccc(F)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000133056078 196308483 /nfs/dbraw/zinc/30/84/83/196308483.db2.gz WGQVXXCJKHYGLU-GWCFXTLKSA-N 1 0 302.187 2.491 10 0 DEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000133066801 196308937 /nfs/dbraw/zinc/30/89/37/196308937.db2.gz FGRWEEYVBBZKEW-YTQUADARSA-N 1 0 316.493 2.366 10 0 DEAERO C[C@@H]([NH3+])CCCC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000133189321 196320031 /nfs/dbraw/zinc/32/00/31/196320031.db2.gz JPDNLUXMBHYACR-MRVPVSSYSA-N 1 0 311.769 2.127 10 0 DEAERO C[C@@H]([NH3+])CCCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000133278416 196326840 /nfs/dbraw/zinc/32/68/40/196326840.db2.gz HLZBKYMRVQEVPF-SECBINFHSA-N 1 0 320.361 2.139 10 0 DEAERO CC[NH2+][C@H](c1c(Br)cnn1C)[C@H]1CCCCO1 ZINC000133803331 196336861 /nfs/dbraw/zinc/33/68/61/196336861.db2.gz ODKNQRKABHQCGX-MNOVXSKESA-N 1 0 302.216 2.402 10 0 DEAERO O=S1(=O)CCC[C@H]1C[NH2+]Cc1[nH]c2ccccc2c1Cl ZINC000133969049 196350257 /nfs/dbraw/zinc/35/02/57/196350257.db2.gz OLMAGARKKQVDNA-JTQLQIEISA-N 1 0 312.822 2.488 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)CCCOC)c1cc(C)cc(C)c1 ZINC000133969181 196350261 /nfs/dbraw/zinc/35/02/61/196350261.db2.gz VOZNXADOMJINAM-MRXNPFEDSA-N 1 0 313.463 2.405 10 0 DEAERO COC(=O)Cc1csc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000133993910 196351870 /nfs/dbraw/zinc/35/18/70/196351870.db2.gz HLXYKTMRIOEZLM-VGPLMAKISA-N 1 0 309.435 2.286 10 0 DEAERO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)/C=C/c1ccccc1 ZINC000134070926 196359351 /nfs/dbraw/zinc/35/93/51/196359351.db2.gz GXLZVRTWDCCJKZ-SPBMYTGYSA-N 1 0 308.447 2.484 10 0 DEAERO COCC(C)(C)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000134309838 196378204 /nfs/dbraw/zinc/37/82/04/196378204.db2.gz ABEVULGOYFKQBK-LBPRGKRZSA-N 1 0 302.212 2.497 10 0 DEAERO CS(=O)(=O)CCn1cc(C2=CC[NH2+]CC2)c2ccccc21 ZINC000134978976 196436173 /nfs/dbraw/zinc/43/61/73/196436173.db2.gz CPZSXBRMRHRNHJ-UHFFFAOYSA-N 1 0 304.415 2.063 10 0 DEAERO NNc1cc(Oc2ccccc2OC(F)(F)F)nc(N)[nH+]1 ZINC000135087418 196443622 /nfs/dbraw/zinc/44/36/22/196443622.db2.gz LWUMZDHNDSMCJB-UHFFFAOYSA-N 1 0 301.228 2.035 10 0 DEAERO O=C(CC[NH2+][C@H]1CCSc2ccccc21)N1CCOCC1 ZINC000135133433 196447238 /nfs/dbraw/zinc/44/72/38/196447238.db2.gz JJCVBWBDWHHWIS-AWEZNQCLSA-N 1 0 306.431 2.062 10 0 DEAERO CC[NH2+][C@](C)(CO)CCCSc1nnc(SC)s1 ZINC000135602336 196491907 /nfs/dbraw/zinc/49/19/07/196491907.db2.gz HQJBJVBBSRSZNB-NSHDSACASA-N 1 0 307.510 2.493 10 0 DEAERO [NH3+]C[C@H](c1ccc(Cl)c(Br)c1)N1CCOCC1 ZINC000137142761 196566318 /nfs/dbraw/zinc/56/63/18/196566318.db2.gz IKWPOSADDMGMMH-GFCCVEGCSA-N 1 0 319.630 2.435 10 0 DEAERO NC(=O)c1c[nH+]ccc1NCCc1ccccc1Br ZINC000572451864 292619324 /nfs/dbraw/zinc/61/93/24/292619324.db2.gz JAADANQSVAKBAC-UHFFFAOYSA-N 1 0 320.190 2.020 10 0 DEAERO CN(C(=O)c1conc1-c1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000299738392 229369871 /nfs/dbraw/zinc/36/98/71/229369871.db2.gz ADCWHZJYJVOIGV-GFCCVEGCSA-N 1 0 305.765 2.429 10 0 DEAERO c1ccc(OC2CCC2)c(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422915783 230274880 /nfs/dbraw/zinc/27/48/80/230274880.db2.gz YZNPRTDMNJKRAX-OALUTQOASA-N 1 0 316.445 2.475 10 0 DEAERO Fc1cccc2c(NCCCC[NH+]3CCOCC3)ncnc12 ZINC000302670816 230343140 /nfs/dbraw/zinc/34/31/40/230343140.db2.gz KODMUIGGPAIREX-UHFFFAOYSA-N 1 0 304.369 2.293 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](c2c[nH]nc2N)C1 ZINC000616601901 422515750 /nfs/dbraw/zinc/51/57/50/422515750.db2.gz LTQSCPNHHFAUSY-LBPRGKRZSA-N 1 0 323.441 2.086 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](Nc2cc[nH]n2)CC1 ZINC000616600755 422517175 /nfs/dbraw/zinc/51/71/75/422517175.db2.gz HSDKGAXWRYREBU-CYBMUJFWSA-N 1 0 323.441 2.201 10 0 DEAERO Cc1nnc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc1C ZINC000359574189 424830625 /nfs/dbraw/zinc/83/06/25/424830625.db2.gz HHUULAZFYUSIDE-HIFRSBDPSA-N 1 0 317.462 3.045 10 0 DEAERO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCC2CCCC2)c1 ZINC000041827993 424809186 /nfs/dbraw/zinc/80/91/86/424809186.db2.gz FQQBQPCIFBNUSG-UHFFFAOYSA-N 1 0 317.433 2.383 10 0 DEAERO c1ncn(C[C@@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)n1 ZINC000105883780 424849500 /nfs/dbraw/zinc/84/95/00/424849500.db2.gz OKPHOSVWLXIWOG-MRXNPFEDSA-N 1 0 322.416 2.376 10 0 DEAERO CCc1ccc([C@H](C)[NH2+]C[C@H](O)COC[C@@H]2CCCO2)cc1 ZINC000121493795 424853588 /nfs/dbraw/zinc/85/35/88/424853588.db2.gz NWQCUBJYSTZQGE-WBAXXEDZSA-N 1 0 307.434 2.456 10 0 DEAERO Cc1ccc(C)c(OC[C@H](O)CN2CCC([NH+](C)C)CC2)c1C ZINC000193812329 424871174 /nfs/dbraw/zinc/87/11/74/424871174.db2.gz XCFDFTLHOIMMHX-GOSISDBHSA-N 1 0 320.477 2.378 10 0 DEAERO CCOCCCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000194363956 424876077 /nfs/dbraw/zinc/87/60/77/424876077.db2.gz IZCXXRJQBMKWMU-INIZCTEOSA-N 1 0 307.438 2.405 10 0 DEAERO CSc1ncc(Cl)c(C(=O)N2CCC([NH+](C)C)CC2)n1 ZINC000194578273 424876760 /nfs/dbraw/zinc/87/67/60/424876760.db2.gz PADFJMGEBZQADF-UHFFFAOYSA-N 1 0 314.842 2.018 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)COc2ccc(F)cc2Cl)C1 ZINC000194635371 424877391 /nfs/dbraw/zinc/87/73/91/424877391.db2.gz LOYVJLONCQQKBH-GFCCVEGCSA-N 1 0 314.788 2.458 10 0 DEAERO C[C@]1(CNc2nccn3cnnc23)CCC[N@@H+]1Cc1ccccc1 ZINC000372263339 424883679 /nfs/dbraw/zinc/88/36/79/424883679.db2.gz VZLUKWNTZQYNKV-GOSISDBHSA-N 1 0 322.416 2.591 10 0 DEAERO O=C(CSc1cccc(C(F)(F)F)c1)N[C@@H]1CC[NH2+]C1 ZINC000126153850 424856030 /nfs/dbraw/zinc/85/60/30/424856030.db2.gz DXMPFJBGCWIFEP-SNVBAGLBSA-N 1 0 304.337 2.276 10 0 DEAERO CCc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCN(CC)CC2)cc1 ZINC000192662021 424864684 /nfs/dbraw/zinc/86/46/84/424864684.db2.gz DHFOZTCVDDHQHJ-JKSUJKDBSA-N 1 0 317.477 2.452 10 0 DEAERO O=C1C[C@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CCCN1 ZINC000379637643 424907538 /nfs/dbraw/zinc/90/75/38/424907538.db2.gz SVSPGPDJFZHQLJ-QZTJIDSGSA-N 1 0 315.461 2.299 10 0 DEAERO Fc1cc(Br)ccc1C[NH2+]C1COCCOC1 ZINC000379978115 424907916 /nfs/dbraw/zinc/90/79/16/424907916.db2.gz IJALGDUBXVXCLF-UHFFFAOYSA-N 1 0 304.159 2.093 10 0 DEAERO Fc1c(Br)cccc1C[NH2+]C1COCCOC1 ZINC000394910217 424920559 /nfs/dbraw/zinc/92/05/59/424920559.db2.gz NLNWIHOVAHOYGA-UHFFFAOYSA-N 1 0 304.159 2.093 10 0 DEAERO CCN(C)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404135618 424925374 /nfs/dbraw/zinc/92/53/74/424925374.db2.gz CAAIDBPEIHKCRS-DLBZAZTESA-N 1 0 317.433 2.033 10 0 DEAERO CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000403898837 424925614 /nfs/dbraw/zinc/92/56/14/424925614.db2.gz YZDUCJXPXAINAW-SJORKVTESA-N 1 0 307.434 2.454 10 0 DEAERO [NH3+]CC1(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000404647501 424927777 /nfs/dbraw/zinc/92/77/77/424927777.db2.gz PGRIIQOPELBEHM-UHFFFAOYSA-N 1 0 323.245 2.401 10 0 DEAERO CCO[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405870709 424931536 /nfs/dbraw/zinc/93/15/36/424931536.db2.gz QOHVOBBXVSGLFF-ZWNOBZJWSA-N 1 0 317.216 2.429 10 0 DEAERO C[C@H](COCc1ccccc1)NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407316427 424932159 /nfs/dbraw/zinc/93/21/59/424932159.db2.gz POCDVOBHRMJPNN-XYPHTWIQSA-N 1 0 302.418 2.239 10 0 DEAERO CN1C(=O)[C@@H]2C[N@H+](Cc3ccccc3)[C@H](C(C)(C)C)[C@H]2C1=O ZINC000409432573 424935080 /nfs/dbraw/zinc/93/50/80/424935080.db2.gz WAFDDGAFIVSKDW-ILXRZTDVSA-N 1 0 300.402 2.148 10 0 DEAERO COC[C@@H](C)n1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000249576204 424887513 /nfs/dbraw/zinc/88/75/13/424887513.db2.gz POWMZZGQLCBKTH-UONOGXRCSA-N 1 0 323.441 2.086 10 0 DEAERO Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)c1 ZINC000249564191 424887727 /nfs/dbraw/zinc/88/77/27/424887727.db2.gz MOSFBQCTWZJDMI-JZXOWHBKSA-N 1 0 307.434 2.218 10 0 DEAERO CS(=O)(=O)c1ccc(NCCC2CC[NH2+]CC2)c(F)c1 ZINC000650309891 424982164 /nfs/dbraw/zinc/98/21/64/424982164.db2.gz BPLNVTKAIYQOJR-UHFFFAOYSA-N 1 0 300.399 2.031 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1c1ccnc(N)c1 ZINC000616634170 425098312 /nfs/dbraw/zinc/09/83/12/425098312.db2.gz UOKHHYJGGLPOGU-CYBMUJFWSA-N 1 0 306.410 2.325 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2ccc(Br)s2)CC1=O ZINC000657693351 425386727 /nfs/dbraw/zinc/38/67/27/425386727.db2.gz AIOJQFJPUDEPDG-MRVPVSSYSA-N 1 0 303.225 2.079 10 0 DEAERO Cc1c(-c2cc(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)on2)cnn1C ZINC000184553973 267637889 /nfs/dbraw/zinc/63/78/89/267637889.db2.gz OMTNITAIXMVWNU-GXTWGEPZSA-N 1 0 315.421 2.052 10 0 DEAERO C[C@H](CNC(=O)[C@@H]1CCOC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000194334916 267781994 /nfs/dbraw/zinc/78/19/94/267781994.db2.gz NNNQZNNCKYBYAK-BFYDXBDKSA-N 1 0 304.434 2.296 10 0 DEAERO COC[C@H]([NH3+])C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663006914 425776997 /nfs/dbraw/zinc/77/69/97/425776997.db2.gz BTNQNOKJFZIIDP-QMMMGPOBSA-N 1 0 312.675 2.151 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cs1 ZINC000195316737 268569115 /nfs/dbraw/zinc/56/91/15/268569115.db2.gz JLEOZCUQOSGLJF-VIFPVBQESA-N 1 0 303.225 2.335 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)sc1Cl ZINC000311576833 268836829 /nfs/dbraw/zinc/83/68/29/268836829.db2.gz BPYVXSARVBZREX-BXKDBHETSA-N 1 0 322.883 2.315 10 0 DEAERO O=C(Nc1ncc(C(F)(F)F)s1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333301914 268923082 /nfs/dbraw/zinc/92/30/82/268923082.db2.gz KKJGVLLRLNBIBC-SFYZADRCSA-N 1 0 320.340 2.235 10 0 DEAERO CC(C)c1nnc2ccc(NC(=O)N[C@@H]3CCCC[NH2+]C3)cn21 ZINC000333356380 268931611 /nfs/dbraw/zinc/93/16/11/268931611.db2.gz SCFJNHQEYAXSNX-GFCCVEGCSA-N 1 0 316.409 2.116 10 0 DEAERO O=C(NC1CCN(c2ccccc2)CC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333720771 268982454 /nfs/dbraw/zinc/98/24/54/268982454.db2.gz GNUSEMLZGIDGGE-MRXNPFEDSA-N 1 0 316.449 2.097 10 0 DEAERO COC1([C@@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1 ZINC000334040182 269010435 /nfs/dbraw/zinc/01/04/35/269010435.db2.gz ODFAURRWXPYOTB-FFHGMXDLSA-N 1 0 309.454 2.259 10 0 DEAERO C[C@H]1CC[NH2+][C@H](C(=O)NCCCCOCc2ccccc2)C1 ZINC000390703817 269097808 /nfs/dbraw/zinc/09/78/08/269097808.db2.gz AUQYBAKASZAXLN-RDJZCZTQSA-N 1 0 304.434 2.488 10 0 DEAERO C[C@@H](COCc1ccccc1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000390759547 269098161 /nfs/dbraw/zinc/09/81/61/269098161.db2.gz YRKHMNXDWYXKEC-GOEBONIOSA-N 1 0 304.434 2.486 10 0 DEAERO CC(=O)c1ccc2c(c1)CC[N@H+](CCCC(=O)N(C)C)CC2 ZINC000514946882 269338374 /nfs/dbraw/zinc/33/83/74/269338374.db2.gz KDPTVFUKIGTWPI-UHFFFAOYSA-N 1 0 302.418 2.158 10 0 DEAERO O=C(NCCOCC1CCC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000515345556 269350225 /nfs/dbraw/zinc/35/02/25/269350225.db2.gz XMVCGWPRWYENAU-MRXNPFEDSA-N 1 0 309.454 2.119 10 0 DEAERO c1nnn(Cc2ccccc2)c1C[NH2+]CCOCC1CCC1 ZINC000516835123 269369579 /nfs/dbraw/zinc/36/95/79/269369579.db2.gz KJFWQYFFEURUQI-UHFFFAOYSA-N 1 0 300.406 2.233 10 0 DEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1nc2ccc(Cl)cc2n1C ZINC000180163627 274251035 /nfs/dbraw/zinc/25/10/35/274251035.db2.gz GDYRREHBRNYRES-YPMHNXCESA-N 1 0 322.840 2.208 10 0 DEAERO C(COC1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261874487 275394222 /nfs/dbraw/zinc/39/42/22/275394222.db2.gz DLQYXNDNVYVYCG-RCCFBDPRSA-N 1 0 310.482 2.473 10 0 DEAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3c1cnn3C)CC2 ZINC000180635379 275762823 /nfs/dbraw/zinc/76/28/23/275762823.db2.gz KTYQICBHBZLPKZ-GXTWGEPZSA-N 1 0 314.437 2.117 10 0 DEAERO CCC[C@@H](C(=O)NC[C@H](C)N1CCc2sccc2C1)[NH+](C)C ZINC000135635658 276021078 /nfs/dbraw/zinc/02/10/78/276021078.db2.gz RQFIIIDGELAAAR-ZFWWWQNUSA-N 1 0 323.506 2.341 10 0 DEAERO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105895593 276091083 /nfs/dbraw/zinc/09/10/83/276091083.db2.gz KWDOSTMXATZAOR-HUUCEWRRSA-N 1 0 306.454 2.431 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)Cc1c(F)cccc1F ZINC000122790934 276112749 /nfs/dbraw/zinc/11/27/49/276112749.db2.gz MYOCVHCSEKBTPI-NSHDSACASA-N 1 0 320.405 2.115 10 0 DEAERO CC1(C)CN(C(=O)c2ccc3c(c2)OCCCO3)CC[C@@H]1[NH3+] ZINC000261889265 276129272 /nfs/dbraw/zinc/12/92/72/276129272.db2.gz QFMCJJGRCCMVOY-HNNXBMFYSA-N 1 0 304.390 2.047 10 0 DEAERO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000305212498 276141805 /nfs/dbraw/zinc/14/18/05/276141805.db2.gz GLPNAVOSOWUSCO-RDJZCZTQSA-N 1 0 304.434 2.270 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1c1nccs1 ZINC000176999892 276169152 /nfs/dbraw/zinc/16/91/52/276169152.db2.gz STAWWXHTBBOPBP-KGLIPLIRSA-N 1 0 322.478 2.055 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCCOc3c(F)cccc32)C1 ZINC000183827672 276782457 /nfs/dbraw/zinc/78/24/57/276782457.db2.gz MUWKKVZORDGMQN-DOMZBBRYSA-N 1 0 321.396 2.385 10 0 DEAERO CSc1cc2c(cc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])OCCO2 ZINC000261758967 277531183 /nfs/dbraw/zinc/53/11/83/277531183.db2.gz NGPSQYSZLBISQQ-GHMZBOCLSA-N 1 0 322.430 2.493 10 0 DEAERO COc1cccc2c(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cc(C)nc12 ZINC000130259889 278025520 /nfs/dbraw/zinc/02/55/20/278025520.db2.gz FQZVJYRGVPTLFD-DOTOQJQBSA-N 1 0 313.401 2.071 10 0 DEAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000183659777 278367162 /nfs/dbraw/zinc/36/71/62/278367162.db2.gz RRMZYRZHWKKCEW-BEFAXECRSA-N 1 0 324.424 2.283 10 0 DEAERO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C[C@H]1C[NH3+] ZINC000253198250 278554964 /nfs/dbraw/zinc/55/49/64/278554964.db2.gz VNLWSQGTHRZVGN-NXEZZACHSA-N 1 0 320.817 2.085 10 0 DEAERO Cc1n[nH]cc1C[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000121750311 279060703 /nfs/dbraw/zinc/06/07/03/279060703.db2.gz CJWLJBZISVVEBJ-OAHLLOKOSA-N 1 0 320.462 2.285 10 0 DEAERO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251953468 279065294 /nfs/dbraw/zinc/06/52/94/279065294.db2.gz YJJMNORLJVJOFF-NCOADZHNSA-N 1 0 323.481 2.458 10 0 DEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000151269465 279301290 /nfs/dbraw/zinc/30/12/90/279301290.db2.gz NSDSHQXQJSRTBK-OAGGEKHMSA-N 1 0 309.454 2.071 10 0 DEAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn2c1CCCC2 ZINC000127214768 279309459 /nfs/dbraw/zinc/30/94/59/279309459.db2.gz WDFWUQYXGCIREB-ZIAGYGMSSA-N 1 0 304.438 2.070 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000182440915 279318482 /nfs/dbraw/zinc/31/84/82/279318482.db2.gz OCAOAXQXMCVXPW-LSDHHAIUSA-N 1 0 305.426 2.131 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000175389375 279332597 /nfs/dbraw/zinc/33/25/97/279332597.db2.gz SIWJAESCNSNILD-UONOGXRCSA-N 1 0 305.426 2.131 10 0 DEAERO Cn1cc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c(C(C)(C)C)n1 ZINC000373494040 279337310 /nfs/dbraw/zinc/33/73/10/279337310.db2.gz BHUQZAICAQIIQN-SFHVURJKSA-N 1 0 321.465 2.488 10 0 DEAERO C[C@H](CNC(=O)c1cnn2c1CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000246205822 279345872 /nfs/dbraw/zinc/34/58/72/279345872.db2.gz BSPRMLFNLZEDRM-ZIAGYGMSSA-N 1 0 304.438 2.070 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CCCCCS(=O)(=O)CC)[C@@H](C)C1 ZINC000249055371 279398249 /nfs/dbraw/zinc/39/82/49/279398249.db2.gz IRXXCVFNXHFXFP-JKSUJKDBSA-N 1 0 318.527 2.254 10 0 DEAERO CCOC(=O)CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000152722355 279547209 /nfs/dbraw/zinc/54/72/09/279547209.db2.gz PSDLNXLUZNLABK-GOEBONIOSA-N 1 0 320.433 2.007 10 0 DEAERO C[C@@H]1C[NH+](CC2CC[NH+](CCCCC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000262261567 288152924 /nfs/dbraw/zinc/15/29/24/288152924.db2.gz REFKKOXEUMIGTQ-HUUCEWRRSA-N 1 0 312.454 2.063 10 0 DEAERO C[C@H]1NC(=S)N(C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1=O ZINC000189417875 280043919 /nfs/dbraw/zinc/04/39/19/280043919.db2.gz WQQUWHKRHHQRBI-DYVFJYSZSA-N 1 0 317.458 2.146 10 0 DEAERO O=C([C@@H]1CCOc2ccccc21)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186525206 280096309 /nfs/dbraw/zinc/09/63/09/280096309.db2.gz ODYILICLKJXNLV-XJKSGUPXSA-N 1 0 300.402 2.296 10 0 DEAERO CC(C)[C@H]([NH2+]CC(=O)NC(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000181509575 280323581 /nfs/dbraw/zinc/32/35/81/280323581.db2.gz FTOWHYZGJIJHHY-LBPRGKRZSA-N 1 0 317.311 2.187 10 0 DEAERO CC[C@H]1C[N@H+](CCCS(N)(=O)=O)CC[C@H]1c1ccccc1 ZINC000245408623 288287802 /nfs/dbraw/zinc/28/78/02/288287802.db2.gz IDQCVQXLEONHNO-GOEBONIOSA-N 1 0 310.463 2.181 10 0 DEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc2c1OCO2 ZINC000247034432 281198469 /nfs/dbraw/zinc/19/84/69/281198469.db2.gz UROCAYSMAGXILF-STQMWFEESA-N 1 0 302.374 2.114 10 0 DEAERO Cc1cccnc1CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000105093972 281411314 /nfs/dbraw/zinc/41/13/14/281411314.db2.gz TZHFKEFXBUQNQN-KRWDZBQOSA-N 1 0 312.417 2.492 10 0 DEAERO Cc1cc(C)cc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000043274396 281435838 /nfs/dbraw/zinc/43/58/38/281435838.db2.gz RENBCXYZWPRYLZ-INIZCTEOSA-N 1 0 305.422 2.272 10 0 DEAERO C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000078953590 281585444 /nfs/dbraw/zinc/58/54/44/281585444.db2.gz YJFWSDPHRWSDHL-HNNXBMFYSA-N 1 0 317.433 2.213 10 0 DEAERO CN(C(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1nccs1 ZINC000127963489 281743836 /nfs/dbraw/zinc/74/38/36/281743836.db2.gz SHINZWWXXKGVLU-STQMWFEESA-N 1 0 319.434 2.076 10 0 DEAERO CCC(=O)N1CCCC[C@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129869509 281889343 /nfs/dbraw/zinc/88/93/43/281889343.db2.gz NBTXPUHMRUPPNI-GPANFISMSA-N 1 0 323.481 2.014 10 0 DEAERO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccn(C2CCCC2)n1 ZINC000134958372 282055999 /nfs/dbraw/zinc/05/59/99/282055999.db2.gz BCUJCQVULSODDT-INIZCTEOSA-N 1 0 304.438 2.489 10 0 DEAERO COC[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)C1CCOCC1 ZINC000188304205 293154612 /nfs/dbraw/zinc/15/46/12/293154612.db2.gz NJTIUYGRNDBHLF-HOTGVXAUSA-N 1 0 313.438 2.093 10 0 DEAERO Cc1nc(C2([NH2+]C[C@H]3CCNC(=O)CC3)CCCCCC2)no1 ZINC000450520187 293251765 /nfs/dbraw/zinc/25/17/65/293251765.db2.gz PCPJAKRJEYLCNH-CQSZACIVSA-N 1 0 320.437 2.433 10 0 DEAERO NC(=O)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123625812 295179286 /nfs/dbraw/zinc/17/92/86/295179286.db2.gz WIDXNGBZRRDRKQ-CVEARBPZSA-N 1 0 320.458 2.272 10 0 DEAERO [NH3+]CC[C@H]1CCCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000070073971 295240838 /nfs/dbraw/zinc/24/08/38/295240838.db2.gz VCSKRVGLIDBZTI-LLVKDONJSA-N 1 0 318.389 2.248 10 0 DEAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000262765621 297107926 /nfs/dbraw/zinc/10/79/26/297107926.db2.gz KRVKJDNMSNXDNF-PELKAZGASA-N 1 0 323.245 2.270 10 0 DEAERO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000248812856 297566503 /nfs/dbraw/zinc/56/65/03/297566503.db2.gz CMBXUMWIVSOPDH-VBNZEHGJSA-N 1 0 308.397 2.360 10 0 DEAERO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C)N1CCOCC1 ZINC000123468490 298779457 /nfs/dbraw/zinc/77/94/57/298779457.db2.gz YNSMASNFZLCMQJ-KGLIPLIRSA-N 1 0 309.429 2.263 10 0 DEAERO Cn1nccc1[C@H]1[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)CC(=O)N1C ZINC000329016032 303097722 /nfs/dbraw/zinc/09/77/22/303097722.db2.gz KCUGNXNLGGUXGW-XJKCOSOUSA-N 1 0 304.438 2.250 10 0 DEAERO Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3ncnn3C1)CCCO2 ZINC000180599570 303133241 /nfs/dbraw/zinc/13/32/41/303133241.db2.gz AEJVPTIWHMSVNC-JSGCOSHPSA-N 1 0 302.353 2.236 10 0 DEAERO C[C@@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)C(C)(C)C ZINC000172263794 325727941 /nfs/dbraw/zinc/72/79/41/325727941.db2.gz QVXIXJWANLCJMX-CQSZACIVSA-N 1 0 303.450 2.190 10 0 DEAERO c1ccc(-c2nc([C@@H]3CCCN3C[C@H]3COCCO3)n[nH]2)cc1 ZINC000574898179 326197809 /nfs/dbraw/zinc/19/78/09/326197809.db2.gz IIUQZRCJSRBZNM-GJZGRUSLSA-N 1 0 314.389 2.024 10 0 DEAERO C[C@@H]([NH2+]Cc1c(Br)cnn1C)[C@H]1CCCOC1 ZINC000388948007 335660844 /nfs/dbraw/zinc/66/08/44/335660844.db2.gz HLCPIVOHUCLCEA-ZJUUUORDSA-N 1 0 302.216 2.087 10 0 DEAERO COc1cnccc1[C@H](C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000189978629 336257952 /nfs/dbraw/zinc/25/79/52/336257952.db2.gz KGJSUVGPPFBWEE-QWHCGFSZSA-N 1 0 322.453 2.427 10 0 DEAERO C[NH+](C)[C@H]1CC[C@H](Nc2ncnc3ccc(CO)cc32)CC1 ZINC000584639901 337379847 /nfs/dbraw/zinc/37/98/47/337379847.db2.gz KHNXYBJYGRLBAX-HDJSIYSDSA-N 1 0 300.406 2.407 10 0 DEAERO Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)no1 ZINC000192478046 341841002 /nfs/dbraw/zinc/84/10/02/341841002.db2.gz IDWFUZFNEYHNEU-NSHDSACASA-N 1 0 317.345 2.391 10 0 DEAERO Cc1c([C@H]2[C@H]([NH2+]C/C=C/c3ccccc3)CC(=O)N2C)cnn1C ZINC000328629546 533957763 /nfs/dbraw/zinc/95/77/63/533957763.db2.gz OYLNQOIZPZQSGE-JWUWVAEESA-N 1 0 324.428 2.303 10 0 DEAERO C[C@@H]1CCN(CC(=O)Nc2ccc3c(c2)CCC3)[C@@H](C[NH3+])C1 ZINC000262583169 534027289 /nfs/dbraw/zinc/02/72/89/534027289.db2.gz ZHJCUKLYUXUAHW-CXAGYDPISA-N 1 0 301.434 2.173 10 0 DEAERO COc1ccc(O)cc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000189101249 534210244 /nfs/dbraw/zinc/21/02/44/534210244.db2.gz CNXVIPWBJSJFTH-UHFFFAOYSA-N 1 0 306.406 2.253 10 0 DEAERO COc1ccc(O)cc1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000188377928 534211377 /nfs/dbraw/zinc/21/13/77/534211377.db2.gz HAFCNTVOJONEHV-CYBMUJFWSA-N 1 0 306.406 2.109 10 0 DEAERO COC(=O)c1ccc(NCC[NH+]2CCCCCC2)nc1OC ZINC000302342149 534223675 /nfs/dbraw/zinc/22/36/75/534223675.db2.gz WRTLOQQVNZEPHH-UHFFFAOYSA-N 1 0 307.394 2.165 10 0 DEAERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C[C@@H]1CCCCNC1=O ZINC000329226823 534240542 /nfs/dbraw/zinc/24/05/42/534240542.db2.gz HRKFMWBLJZQGHA-ILXRZTDVSA-N 1 0 307.438 2.218 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@](C)(O)[C@H](C)c2ccccc2)C1 ZINC000246966293 519692158 /nfs/dbraw/zinc/69/21/58/519692158.db2.gz FYFNSAXNCOBRNI-RRIFGTCXSA-N 1 0 318.461 2.386 10 0 DEAERO CC(C)c1cc(NCC2CC[NH2+]CC2)nc(-c2cnccn2)n1 ZINC000070456040 519833490 /nfs/dbraw/zinc/83/34/90/519833490.db2.gz OMKGOGFESFRMIW-UHFFFAOYSA-N 1 0 312.421 2.469 10 0 DEAERO CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)no1 ZINC000246724252 519866784 /nfs/dbraw/zinc/86/67/84/519866784.db2.gz XUDSCUQLDZQJGE-UPJWGTAASA-N 1 0 306.410 2.374 10 0 DEAERO CCOCC[NH+]1CCN(C/C=C/c2ccccc2OC)CC1 ZINC000127456322 519920017 /nfs/dbraw/zinc/92/00/17/519920017.db2.gz ODIUMESBVBYQQW-SOFGYWHQSA-N 1 0 304.434 2.363 10 0 DEAERO CCOCCN1CC[N@H+](CCCCCn2cccn2)C[C@@H]1C ZINC000105835662 519920326 /nfs/dbraw/zinc/92/03/26/519920326.db2.gz UENLGRPYRSLSOV-KRWDZBQOSA-N 1 0 308.470 2.096 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)[C@@]12CCCO2 ZINC000366009227 520427766 /nfs/dbraw/zinc/42/77/66/520427766.db2.gz LIVVYKSLSAEDSQ-BBWFWOEESA-N 1 0 317.389 2.486 10 0 DEAERO CCN(Cc1ccccn1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132417110 521391506 /nfs/dbraw/zinc/39/15/06/521391506.db2.gz ABFQFQUMBHISDN-HOCLYGCPSA-N 1 0 304.438 2.342 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCN(C)c2ccccc2)C1 ZINC000107838143 521645006 /nfs/dbraw/zinc/64/50/06/521645006.db2.gz CCCYYUHOHWUKPR-INIZCTEOSA-N 1 0 318.465 2.249 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)cc2)[C@@H](C)C1 ZINC000247298384 521711522 /nfs/dbraw/zinc/71/15/22/521711522.db2.gz GURJHHMVSOIHOO-GOEBONIOSA-N 1 0 317.433 2.122 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)C1 ZINC000247309074 522382262 /nfs/dbraw/zinc/38/22/62/522382262.db2.gz QOMCOOMIHSZPHO-APHBMKBZSA-N 1 0 315.417 2.105 10 0 DEAERO CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC000105922556 522590183 /nfs/dbraw/zinc/59/01/83/522590183.db2.gz LXZJKEWXTPJHAU-JKSUJKDBSA-N 1 0 318.465 2.483 10 0 DEAERO CC[C@](C)(CCO)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248042939 523456737 /nfs/dbraw/zinc/45/67/37/523456737.db2.gz MGLVBVYXUSSTMC-XYJFISCASA-N 1 0 319.449 2.282 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000249581061 523480905 /nfs/dbraw/zinc/48/09/05/523480905.db2.gz RBFJMOMZUVSKHS-RRFJBIMHSA-N 1 0 323.481 2.013 10 0 DEAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000163285413 523835293 /nfs/dbraw/zinc/83/52/93/523835293.db2.gz ASLBYFRMGWWBBW-GJZGRUSLSA-N 1 0 322.449 2.465 10 0 DEAERO C[C@H](CNC(=O)N(C)[C@@H](C)c1cnn(C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245920167 524394564 /nfs/dbraw/zinc/39/45/64/524394564.db2.gz QKDIZYGRUNDJLW-KFWWJZLASA-N 1 0 321.469 2.243 10 0 DEAERO Cc1cc(C)nc(SCC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000247373365 524600139 /nfs/dbraw/zinc/60/01/39/524600139.db2.gz PHZIAALKIHAZOS-BXUZGUMPSA-N 1 0 322.478 2.030 10 0 DEAERO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000364848273 524743519 /nfs/dbraw/zinc/74/35/19/524743519.db2.gz PTUGJECDRXSLBV-DYVFJYSZSA-N 1 0 320.408 2.126 10 0 DEAERO Cn1cncc1[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000328626402 534813139 /nfs/dbraw/zinc/81/31/39/534813139.db2.gz FALYDPFDSJMGHD-HIFRSBDPSA-N 1 0 317.437 2.451 10 0 DEAERO Cc1cc(F)cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249194106 524940045 /nfs/dbraw/zinc/94/00/45/524940045.db2.gz PWGHNLVGHVQMKV-SWLSCSKDSA-N 1 0 321.396 2.014 10 0 DEAERO Cc1cc(S(=O)(=O)NC2CCC([NH3+])CC2)c(Cl)cc1F ZINC000237785534 525404196 /nfs/dbraw/zinc/40/41/96/525404196.db2.gz IQZAIDQZLYYKIE-UHFFFAOYSA-N 1 0 320.817 2.336 10 0 DEAERO C[C@@](C[NH3+])(NC(=O)C1=Cc2cc(Cl)ccc2OC1)C1CC1 ZINC000237618064 525741456 /nfs/dbraw/zinc/74/14/56/525741456.db2.gz SHRFTQKKYMYEQE-INIZCTEOSA-N 1 0 306.793 2.359 10 0 DEAERO C[C@@H](O)CC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000118999680 525770369 /nfs/dbraw/zinc/77/03/69/525770369.db2.gz ILGXWUHWHGXLCN-CHWSQXEVSA-N 1 0 312.841 2.438 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000371139387 534886203 /nfs/dbraw/zinc/88/62/03/534886203.db2.gz LCKIQWOQHXRCFB-CYBMUJFWSA-N 1 0 306.410 2.181 10 0 DEAERO CCCN1CCC[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261826628 534903172 /nfs/dbraw/zinc/90/31/72/534903172.db2.gz YPGNHJGISQAJDH-HNNXBMFYSA-N 1 0 305.397 2.284 10 0 DEAERO C=Cc1ccc(CCNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000418195575 526271436 /nfs/dbraw/zinc/27/14/36/526271436.db2.gz BYAATNPBHGAJSB-AWEZNQCLSA-N 1 0 309.360 2.169 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000415271980 526481816 /nfs/dbraw/zinc/48/18/16/526481816.db2.gz QSCCDEWGXNARNZ-INIZCTEOSA-N 1 0 318.421 2.308 10 0 DEAERO Cc1noc(C2(C)CC[NH+](C[C@H](O)CC(F)(F)F)CC2)n1 ZINC000364913539 526579387 /nfs/dbraw/zinc/57/93/87/526579387.db2.gz GQWGWOUOXQLPQW-SNVBAGLBSA-N 1 0 307.316 2.045 10 0 DEAERO O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000366038821 526955360 /nfs/dbraw/zinc/95/53/60/526955360.db2.gz BUYAUQSVSZJRGC-QGZVFWFLSA-N 1 0 324.428 2.293 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000238052189 527216473 /nfs/dbraw/zinc/21/64/73/527216473.db2.gz SAEGUARUUHBYCH-XHDPSFHLSA-N 1 0 318.808 2.383 10 0 DEAERO CC(=O)c1ccc2c(c1)CN(C(=O)NC[C@@H]1CCC[N@H+]1C)C2 ZINC000413164371 527342452 /nfs/dbraw/zinc/34/24/52/527342452.db2.gz CLMJRTJISONHRC-INIZCTEOSA-N 1 0 301.390 2.009 10 0 DEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2ccsc2Br)C1 ZINC000412874085 527796656 /nfs/dbraw/zinc/79/66/56/527796656.db2.gz ICRLOESDDSDMNK-MRVPVSSYSA-N 1 0 303.225 2.335 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCCNC1=O ZINC000328874853 527895234 /nfs/dbraw/zinc/89/52/34/527895234.db2.gz RVBQOZFLXPKEKK-ZNMIVQPWSA-N 1 0 307.438 2.218 10 0 DEAERO CCOc1cc(Cl)ccc1CNC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000417940471 528292670 /nfs/dbraw/zinc/29/26/70/528292670.db2.gz YYIVSPYASWFNNN-GXFFZTMASA-N 1 0 311.813 2.370 10 0 DEAERO CCCCOC[C@H](O)CN1CC[NH+](Cc2ccccc2C)CC1 ZINC000193367137 528622283 /nfs/dbraw/zinc/62/22/83/528622283.db2.gz WQWHLJBWMBWTLN-LJQANCHMSA-N 1 0 320.477 2.290 10 0 DEAERO CC[C@H]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000328938011 529221732 /nfs/dbraw/zinc/22/17/32/529221732.db2.gz GONINTBRKVFVML-LUXYFRNMSA-N 1 0 318.465 2.498 10 0 DEAERO CC[C@@H](C(=O)NCCc1cn(C)c2cc(C)ccc12)[NH+](C)C ZINC000188413350 529283839 /nfs/dbraw/zinc/28/38/39/529283839.db2.gz GXERNXXSHCDJBO-INIZCTEOSA-N 1 0 301.434 2.486 10 0 DEAERO CC1=CC[N@H+](CCNC(=O)N[C@H](C)CCc2cccn2C)CC1 ZINC000358192322 535244648 /nfs/dbraw/zinc/24/46/48/535244648.db2.gz PVDDGSQIRKVPNR-MRXNPFEDSA-N 1 0 318.465 2.297 10 0 DEAERO CCCOc1ccc(C(=O)CCC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000262588284 535255948 /nfs/dbraw/zinc/25/59/48/535255948.db2.gz PYUNNSMUVZWQPC-OAHLLOKOSA-N 1 0 318.417 2.307 10 0 DEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000248706576 535258589 /nfs/dbraw/zinc/25/85/89/535258589.db2.gz ABYGCGGRDMUVKX-DAXOMENPSA-N 1 0 323.868 2.055 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000358489501 535363940 /nfs/dbraw/zinc/36/39/40/535363940.db2.gz YSWNEAOKAZEZBW-KBPBESRZSA-N 1 0 310.829 2.184 10 0 DEAERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183703637 535373079 /nfs/dbraw/zinc/37/30/79/535373079.db2.gz SPRRBEWXCBEKBO-ZDUSSCGKSA-N 1 0 312.454 2.343 10 0 DEAERO CCOc1ccc2nc(NC(=O)C3([NH3+])CCOCC3)sc2c1 ZINC000262141452 535444555 /nfs/dbraw/zinc/44/45/55/535444555.db2.gz MKRGXMIGIGGHOZ-UHFFFAOYSA-N 1 0 321.402 2.141 10 0 DEAERO CC[NH+]1CCC(CCNC(=O)NCCC[C@@H]2CCOC2)CC1 ZINC000454644400 535448185 /nfs/dbraw/zinc/44/81/85/535448185.db2.gz HHYBRDJBZNAKMR-MRXNPFEDSA-N 1 0 311.470 2.224 10 0 DEAERO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](CO)C2CC2)cc1 ZINC000358329678 535601579 /nfs/dbraw/zinc/60/15/79/535601579.db2.gz ZMOJDJDIBFUUIJ-KRWDZBQOSA-N 1 0 304.434 2.277 10 0 DEAERO CCN(C(C)=O)c1nc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cs1 ZINC000247231247 535706469 /nfs/dbraw/zinc/70/64/69/535706469.db2.gz MSNAIOAMENUZJP-DOMZBBRYSA-N 1 0 322.478 2.184 10 0 DEAERO CCN(C)c1ccc(C[NH2+]Cc2ccc(CO)c(F)c2)cn1 ZINC000190858608 535764604 /nfs/dbraw/zinc/76/46/04/535764604.db2.gz VQLHAAHHGCQQMS-UHFFFAOYSA-N 1 0 303.381 2.459 10 0 DEAERO CC[C@H](NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)c1nccs1 ZINC000262433858 535856527 /nfs/dbraw/zinc/85/65/27/535856527.db2.gz GCAYZPXWAXGODV-CENBSLRLSA-N 1 0 323.462 2.243 10 0 DEAERO C[NH+](C)Cc1cc(CNC(=O)[C@@H](O)C2CCCCC2)ccc1F ZINC000188006495 535990173 /nfs/dbraw/zinc/99/01/73/535990173.db2.gz SYSCPMKMPFMEIJ-KRWDZBQOSA-N 1 0 322.424 2.445 10 0 DEAERO CN(C)C(=O)c1cccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248199889 536102271 /nfs/dbraw/zinc/10/22/71/536102271.db2.gz 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COc1ccccc1C[C@H]1CCC[N@@H+]1CCN1CCO[C@@H](C)C1 ZINC000191465396 537056667 /nfs/dbraw/zinc/05/66/67/537056667.db2.gz PRRFAKLYXGESGZ-FUHWJXTLSA-N 1 0 318.461 2.423 10 0 DEAERO CC[NH2+]CC[C@H](CO)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000685962924 563961494 /nfs/dbraw/zinc/96/14/94/563961494.db2.gz AJGKKSAMNUMLSL-CQSZACIVSA-N 1 0 300.443 2.242 10 0 DEAERO O=S(=O)(/C=C\c1ccc(Cl)cc1)NCC1=CC[NH2+]CC1 ZINC000312193074 625285890 /nfs/dbraw/zinc/28/58/90/625285890.db2.gz JRPSPOQRKIPYNF-YFHOEESVSA-N 1 0 312.822 2.150 10 0 DEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCN1CCCC1 ZINC000309955846 625302998 /nfs/dbraw/zinc/30/29/98/625302998.db2.gz ILFXQZYBCPIZEX-CABCVRRESA-N 1 0 311.470 2.317 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(C)nc1Cl ZINC000185471965 625370687 /nfs/dbraw/zinc/37/06/87/625370687.db2.gz QDVKHCQORTWSGW-NSHDSACASA-N 1 0 319.858 2.052 10 0 DEAERO CCS(=O)(=O)c1ccccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252849611 625385174 /nfs/dbraw/zinc/38/51/74/625385174.db2.gz 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624163242 /nfs/dbraw/zinc/16/32/42/624163242.db2.gz SBICCCREMXUQQZ-CYBMUJFWSA-N 1 0 324.494 2.290 10 0 DEAERO C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000049645466 624907444 /nfs/dbraw/zinc/90/74/44/624907444.db2.gz VBXSQHHVTFJGTL-SECBINFHSA-N 1 0 322.883 2.382 10 0 DEAERO C[C@@]1(CNC[C@@H](O)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000309915281 625243576 /nfs/dbraw/zinc/24/35/76/625243576.db2.gz UDBYRXCSULZACK-CABCVRRESA-N 1 0 316.367 2.411 10 0 DEAERO c1nn(-c2ccccc2)nc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313407925 633549914 /nfs/dbraw/zinc/54/99/14/633549914.db2.gz YMIRHOXCYQGESJ-IBGZPJMESA-N 1 0 319.412 2.414 10 0 DEAERO CC(=O)N[C@@H]1CCCN(Cc2c(Cl)nc3ccccn32)C1 ZINC000153831135 635155938 /nfs/dbraw/zinc/15/59/38/635155938.db2.gz FCOZVDMEGITLOA-GFCCVEGCSA-N 1 0 306.797 2.088 10 0 DEAERO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)C=C1CCCCC1)C2 ZINC000888095233 635514053 /nfs/dbraw/zinc/51/40/53/635514053.db2.gz RXUPOIHJAONISD-ZAWLATJESA-N 1 0 320.477 2.473 10 0 DEAERO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncc(F)c3)C2)[C@@H]1C(C)C ZINC000888097174 635539329 /nfs/dbraw/zinc/53/93/29/635539329.db2.gz DDOKMLFWCSBJKV-BDXSIMOUSA-N 1 0 321.440 2.180 10 0 DEAERO O=C(NCCCC1CC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000737046598 635795614 /nfs/dbraw/zinc/79/56/14/635795614.db2.gz HNSKIOUIBUSRIP-MRXNPFEDSA-N 1 0 309.454 2.119 10 0 DEAERO COc1cccc([C@@H]2C[C@H]2C(=O)O[C@H](C)CN2CCOCC2)c1 ZINC000248465108 636203763 /nfs/dbraw/zinc/20/37/63/636203763.db2.gz YZVFLWLQKOXRFS-XOKHGSTOSA-N 1 0 319.401 2.063 10 0 DEAERO COc1cnccc1[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000187010646 636666243 /nfs/dbraw/zinc/66/62/43/636666243.db2.gz KNEQWJTZNBDEGX-XHDPSFHLSA-N 1 0 317.345 2.383 10 0 DEAERO CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2ccoc2)CC1 ZINC000727470807 637957589 /nfs/dbraw/zinc/95/75/89/637957589.db2.gz NPKAGKLYAJMEBV-UHFFFAOYSA-N 1 0 313.401 2.238 10 0 DEAERO C[C@H]1C[C@H](NC(=O)c2cc(Cl)nc(N(C)C)c2)CC[N@@H+]1C ZINC000741722711 638006113 /nfs/dbraw/zinc/00/61/13/638006113.db2.gz QXORUSXAIZKXIV-CMPLNLGQSA-N 1 0 310.829 2.014 10 0 DEAERO O=C(NCc1ccon1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000747597890 638453323 /nfs/dbraw/zinc/45/33/23/638453323.db2.gz YGHQPZQMJIZRDZ-OAHLLOKOSA-N 1 0 320.437 2.472 10 0 DEAERO CCOC[C@@H]1CC[N@H+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000748087761 638508179 /nfs/dbraw/zinc/50/81/79/638508179.db2.gz BZDDCXSBTXMZJV-CYBMUJFWSA-N 1 0 317.389 2.139 10 0 DEAERO CCN(CC)C(=O)C1([NH2+]C/C=C(\C)C(=O)OC)CCCCC1 ZINC000748818092 638595275 /nfs/dbraw/zinc/59/52/75/638595275.db2.gz UFXBQRJEKCKXKY-GXDHUFHOSA-N 1 0 310.438 2.267 10 0 DEAERO C[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccncc1 ZINC000749587973 638661777 /nfs/dbraw/zinc/66/17/77/638661777.db2.gz BXDWQDYDIJYVBP-BMFZPTHFSA-N 1 0 304.438 2.357 10 0 DEAERO COC(=O)/C(C)=C\C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000750064565 638707878 /nfs/dbraw/zinc/70/78/78/638707878.db2.gz LYGLVYAPOOAUKV-VCXBKZMZSA-N 1 0 311.422 2.156 10 0 DEAERO Cn1cc(C[N@H+](C)CCC2OCCCO2)c(C(F)(F)F)n1 ZINC000750164315 638722429 /nfs/dbraw/zinc/72/24/29/638722429.db2.gz IJRFGKNGISZLBU-UHFFFAOYSA-N 1 0 307.316 2.024 10 0 DEAERO C[C@@H](NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])c1nnc2n1CCCCC2 ZINC000262994405 639967788 /nfs/dbraw/zinc/96/77/88/639967788.db2.gz ODBJTSHWEHRKOZ-PBFPGSCMSA-N 1 0 319.453 2.089 10 0 DEAERO Cc1ccc([C@@H](C)NC(=O)NCCNc2cc[nH+]cc2)s1 ZINC000729599252 640808082 /nfs/dbraw/zinc/80/80/82/640808082.db2.gz DGODBSDDHSMYJP-GFCCVEGCSA-N 1 0 304.419 2.346 10 0 DEAERO CCN1CCO[C@@H](CNc2nc(Cl)nc3ccccc32)C1 ZINC000166219540 644771816 /nfs/dbraw/zinc/77/18/16/644771816.db2.gz UCJYPUARBFXWJD-NSHDSACASA-N 1 0 306.797 2.416 10 0 DEAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccc(C)cc1 ZINC000804483118 645779305 /nfs/dbraw/zinc/77/93/05/645779305.db2.gz BMCRYDYJIKRZBB-DJIMGWMZSA-N 1 0 304.434 2.408 10 0 DEAERO COc1ccc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cc1OC ZINC000757185686 645937687 /nfs/dbraw/zinc/93/76/87/645937687.db2.gz ZCAKQEMIBJDLFC-CHWSQXEVSA-N 1 0 307.390 2.349 10 0 DEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(F)c(Br)c1 ZINC000757184296 645937863 /nfs/dbraw/zinc/93/78/63/645937863.db2.gz KNDHBWZCVXKTTB-NXEZZACHSA-N 1 0 316.170 2.454 10 0 DEAERO Cc1nn(C)c(Cl)c1CN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000166867881 646537790 /nfs/dbraw/zinc/53/77/90/646537790.db2.gz SKSSJVCBYFHEBQ-HNNXBMFYSA-N 1 0 304.825 2.440 10 0 DEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccnc(Br)c1 ZINC000229614290 646695328 /nfs/dbraw/zinc/69/53/28/646695328.db2.gz JTOSUOYRWWNKTM-LLVKDONJSA-N 1 0 312.211 2.010 10 0 DEAERO C[NH+](C)C[C@@H]1CN(Cn2c3ccccc3oc2=S)CCO1 ZINC000152968645 647305403 /nfs/dbraw/zinc/30/54/03/647305403.db2.gz SVXIAOUINYRPAB-GFCCVEGCSA-N 1 0 307.419 2.184 10 0 DEAERO O=C(c1ccc(F)cc1)[C@@H]1CCCN(CN2CCOC2=S)C1 ZINC000153484922 647485028 /nfs/dbraw/zinc/48/50/28/647485028.db2.gz VRMHJSMVHZNSLV-CYBMUJFWSA-N 1 0 322.405 2.295 10 0 DEAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cnsn1 ZINC000193719011 647602874 /nfs/dbraw/zinc/60/28/74/647602874.db2.gz HFMXSXLNUSVQGL-UHFFFAOYSA-N 1 0 302.403 2.064 10 0 DEAERO COCC1CC[NH+](Cn2ncc3cc(C(=O)OC)ccc32)CC1 ZINC000732798355 647662350 /nfs/dbraw/zinc/66/23/50/647662350.db2.gz KLHUWDHKNYYMHP-UHFFFAOYSA-N 1 0 317.389 2.139 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000179814315 648422610 /nfs/dbraw/zinc/42/26/10/648422610.db2.gz BWURVULUHSCUPK-CABCVRRESA-N 1 0 310.825 2.364 10 0 DEAERO [NH3+]Cc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cc1 ZINC000237952719 648449183 /nfs/dbraw/zinc/44/91/83/648449183.db2.gz SFKWDNMRGPLVJV-UHFFFAOYSA-N 1 0 315.442 2.165 10 0 DEAERO Cc1noc(Cl)c1CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000069952012 648812728 /nfs/dbraw/zinc/81/27/28/648812728.db2.gz YRHACGWTQCBSAQ-STQMWFEESA-N 1 0 311.813 2.264 10 0 DEAERO COc1ccccc1C/C(C)=C/C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000106770435 651390329 /nfs/dbraw/zinc/39/03/29/651390329.db2.gz NPFCZDAZLXSIDP-WCRPCQDQSA-N 1 0 302.418 2.347 10 0 DEAERO CO[C@H]1CCC[C@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000383518190 685407528 /nfs/dbraw/zinc/40/75/28/685407528.db2.gz MVJTUJSSOMDDBK-RYUDHWBXSA-N 1 0 302.216 2.193 10 0 DEAERO CC(C)[NH+](CCNCc1nc(Br)c[nH]1)C(C)C ZINC000383879794 685409490 /nfs/dbraw/zinc/40/94/90/685409490.db2.gz CNCURWXGTJGXJM-UHFFFAOYSA-N 1 0 303.248 2.381 10 0 DEAERO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccc(S(N)(=O)=O)cc1 ZINC000037291881 683881849 /nfs/dbraw/zinc/88/18/49/683881849.db2.gz XAQODGSEFBCZGH-NWDGAFQWSA-N 1 0 308.403 2.209 10 0 DEAERO Cc1ccc(CC(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000077957714 683958026 /nfs/dbraw/zinc/95/80/26/683958026.db2.gz SXYLGXOCKSGDJB-AWEZNQCLSA-N 1 0 311.447 2.499 10 0 DEAERO C[C@H]1C[NH+](CCCNC(=O)CSC(C)(C)C)C[C@H](C)O1 ZINC000078604680 683964429 /nfs/dbraw/zinc/96/44/29/683964429.db2.gz CTUPQYSSVMFSEC-STQMWFEESA-N 1 0 302.484 2.134 10 0 DEAERO Cc1c2ccccc2oc(=O)c1C(=O)N1CCC([NH+](C)C)CC1 ZINC000078735870 683966297 /nfs/dbraw/zinc/96/62/97/683966297.db2.gz ZDWYFPRLVILVCT-UHFFFAOYSA-N 1 0 314.385 2.268 10 0 DEAERO CC(=O)N1CCc2cc(C(=O)OCCCCC[NH+](C)C)ccc21 ZINC000085985618 684010270 /nfs/dbraw/zinc/01/02/70/684010270.db2.gz NRNTVZWMXADTEF-UHFFFAOYSA-N 1 0 318.417 2.484 10 0 DEAERO Cn1cc([C@H]2CC[N@H+](Cn3cnc4cc(F)c(F)cc43)C2)cn1 ZINC000116257470 684064107 /nfs/dbraw/zinc/06/41/07/684064107.db2.gz LBUJIUZRGGVVSE-NSHDSACASA-N 1 0 317.343 2.495 10 0 DEAERO Cn1cc([C@@H]2CC[N@H+](Cn3nccc3-c3cccnc3)C2)cn1 ZINC000116258369 684064287 /nfs/dbraw/zinc/06/42/87/684064287.db2.gz CVZCLSXGLCBCFR-OAHLLOKOSA-N 1 0 308.389 2.126 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000117359797 684068894 /nfs/dbraw/zinc/06/88/94/684068894.db2.gz BLSVALYIKPALPK-LLVKDONJSA-N 1 0 319.858 2.052 10 0 DEAERO CC[C@@H]1CC(=O)N(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC000119279593 684079236 /nfs/dbraw/zinc/07/92/36/684079236.db2.gz HKUSAXSKDAUTGY-LSDHHAIUSA-N 1 0 323.481 2.075 10 0 DEAERO O=C(CC1CCCC1)NC1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000120537454 684097212 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C[C@H]1[C@@H]([NH2+]Cc2ccnn2C)CCCN1C(=O)OC(C)(C)C ZINC000189518023 684383045 /nfs/dbraw/zinc/38/30/45/684383045.db2.gz YDYFUBHJTMTCQA-JSGCOSHPSA-N 1 0 308.426 2.298 10 0 DEAERO C[N@H+](CC1CC(O)C1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000190116803 684395846 /nfs/dbraw/zinc/39/58/46/684395846.db2.gz CQAIYPQVFBPVNS-WLYUNCDWSA-N 1 0 312.454 2.336 10 0 DEAERO C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000190664881 684411246 /nfs/dbraw/zinc/41/12/46/684411246.db2.gz ISDIGLOMNKGERD-RHSMWYFYSA-N 1 0 317.433 2.192 10 0 DEAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192060005 684440697 /nfs/dbraw/zinc/44/06/97/684440697.db2.gz ILAXHIZZXSOEIN-STQMWFEESA-N 1 0 309.406 2.136 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000193649255 685045301 /nfs/dbraw/zinc/04/53/01/685045301.db2.gz SLVIZSDHZDLVQI-WCQYABFASA-N 1 0 318.808 2.396 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CCC[C@H]1O)c1cccc(Br)c1 ZINC000249935824 685188766 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Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1C ZINC000723787756 777170477 /nfs/dbraw/zinc/17/04/77/777170477.db2.gz BHZUMGGAKSKHIA-TZMCWYRMSA-N 1 0 322.453 2.321 10 0 DEAERO Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901717 777202604 /nfs/dbraw/zinc/20/26/04/777202604.db2.gz JQRZYACGKNKGSU-VXGBXAGGSA-N 1 0 316.854 2.254 10 0 DEAERO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc(Cl)n1 ZINC000724324859 777276343 /nfs/dbraw/zinc/27/63/43/777276343.db2.gz MZMRBIFHJVYXHJ-YHWZYXNKSA-N 1 0 314.838 2.241 10 0 DEAERO COc1ccc(Br)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724948528 777532557 /nfs/dbraw/zinc/53/25/57/777532557.db2.gz YFMLZTKVEBSTTC-HRDQMINSSA-N 1 0 312.207 2.461 10 0 DEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC23CC(O)C3)C1 ZINC000724954535 777534679 /nfs/dbraw/zinc/53/46/79/777534679.db2.gz ZUGMQCNDSKISOZ-SMOJQAGNSA-N 1 0 310.438 2.137 10 0 DEAERO CCN(Cc1ccc(Cl)s1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000722240193 778511867 /nfs/dbraw/zinc/51/18/67/778511867.db2.gz BMSDUEFIAOVYFL-LLVKDONJSA-N 1 0 322.883 2.305 10 0 DEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000722268316 778555795 /nfs/dbraw/zinc/55/57/95/778555795.db2.gz XSBOXVPZZWEAIH-BARDWOONSA-N 1 0 311.470 2.362 10 0 DEAERO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000722268332 778556128 /nfs/dbraw/zinc/55/61/28/778556128.db2.gz XWLGZPBBBNJGJJ-QLFBSQMISA-N 1 0 311.470 2.316 10 0 DEAERO Brc1c[nH]c(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)n1 ZINC000722315560 778603475 /nfs/dbraw/zinc/60/34/75/778603475.db2.gz CCJBCGIVXYBWNX-ZJUUUORDSA-N 1 0 300.200 2.219 10 0 DEAERO Cn1nc(Br)cc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722321070 778616116 /nfs/dbraw/zinc/61/61/16/778616116.db2.gz PESMIMMTPMSNFH-NEPJUHHUSA-N 1 0 314.227 2.230 10 0 DEAERO O[C@H](C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1)COCc1ccccc1 ZINC000722336404 778630491 /nfs/dbraw/zinc/63/04/91/778630491.db2.gz SGPHJXZXLIIILO-KURKYZTESA-N 1 0 305.418 2.111 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N2CCCC[C@H]2C[NH3+])c1C ZINC000722564704 778783014 /nfs/dbraw/zinc/78/30/14/778783014.db2.gz FXDBBVGZNKNEFV-LBPRGKRZSA-N 1 0 302.465 2.175 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000722563705 778783382 /nfs/dbraw/zinc/78/33/82/778783382.db2.gz AVESXXMJBLYCPO-QPUJVOFHSA-N 1 0 302.465 2.092 10 0 DEAERO Cc1sc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1C ZINC000722571395 778791354 /nfs/dbraw/zinc/79/13/54/778791354.db2.gz SOTUOPHCUIOGLC-NEPJUHHUSA-N 1 0 302.465 2.079 10 0 DEAERO Cc1c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cnn1C ZINC000721860752 780397914 /nfs/dbraw/zinc/39/79/14/780397914.db2.gz BYRCQGJQPWILPN-BXUZGUMPSA-N 1 0 308.426 2.074 10 0 DEAERO CO[C@]1(C[NH2+][C@@H](C)c2cc(C)sc2C)CCS(=O)(=O)C1 ZINC000721258029 781016667 /nfs/dbraw/zinc/01/66/67/781016667.db2.gz GGGSCMBVTQUCQV-FZMZJTMJSA-N 1 0 317.476 2.219 10 0 DEAERO CCC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)C1CCCC1 ZINC000721242336 781740277 /nfs/dbraw/zinc/74/02/77/781740277.db2.gz LDKVESFKVRAWIY-CABCVRRESA-N 1 0 303.468 2.139 10 0 DEAERO CCO[C@H]1C[C@](CO)([NH2+]Cc2cnc3cc(C)ccn23)C1(C)C ZINC000186578293 784404656 /nfs/dbraw/zinc/40/46/56/784404656.db2.gz ZWZZDDGIUXYMAA-MAUKXSAKSA-N 1 0 317.433 2.298 10 0 DEAERO CCN1CC[C@@H]1C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724115482 787349969 /nfs/dbraw/zinc/34/99/69/787349969.db2.gz FKSJYQXVFQZYPN-SOUVJXGZSA-N 1 0 311.470 2.364 10 0 DEAERO COC[C@@H](C)OC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000586474508 791871452 /nfs/dbraw/zinc/87/14/52/791871452.db2.gz AGNVHNKOJXLFJA-CQSZACIVSA-N 1 0 306.406 2.412 10 0 DEAERO C[C@@H]([NH2+]Cc1cn(C)nc1Br)[C@@H]1CCCOC1 ZINC000712397226 792185892 /nfs/dbraw/zinc/18/58/92/792185892.db2.gz LYHYKSXLOXNXSH-NXEZZACHSA-N 1 0 302.216 2.087 10 0 DEAERO C[C@@H](CNCc1cn(C)nc1Br)[NH+]1CCCCC1 ZINC000712462986 792188355 /nfs/dbraw/zinc/18/83/55/792188355.db2.gz OOSIDRYAUYRUOZ-NSHDSACASA-N 1 0 315.259 2.147 10 0 DEAERO Cn1cc(CNCC2([NH+](C)C)CCCC2)c(Br)n1 ZINC000712463605 792190686 /nfs/dbraw/zinc/19/06/86/792190686.db2.gz STIIFFGBPAMAOW-UHFFFAOYSA-N 1 0 315.259 2.147 10 0 DEAERO COC1(C[NH2+]Cc2cn(C)nc2Br)CCCC1 ZINC000712483783 792190959 /nfs/dbraw/zinc/19/09/59/792190959.db2.gz VAPBCWWYTBLXIG-UHFFFAOYSA-N 1 0 302.216 2.231 10 0 DEAERO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000712598825 792192269 /nfs/dbraw/zinc/19/22/69/792192269.db2.gz OOBWLQYPYQBANI-UHFFFAOYSA-N 1 0 308.856 2.164 10 0 DEAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000713002853 792212267 /nfs/dbraw/zinc/21/22/67/792212267.db2.gz JAFFRARIHGMYSX-KRWDZBQOSA-N 1 0 317.477 2.340 10 0 DEAERO Cc1cnc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000713311953 792219601 /nfs/dbraw/zinc/21/96/01/792219601.db2.gz NNPJOPAEVWAWJP-XJKSGUPXSA-N 1 0 313.401 2.367 10 0 DEAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713823616 792260732 /nfs/dbraw/zinc/26/07/32/792260732.db2.gz UTWVVLYNWWSDCN-COXVUDFISA-N 1 0 302.418 2.178 10 0 DEAERO COCC1CC([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000713929990 792264343 /nfs/dbraw/zinc/26/43/43/792264343.db2.gz FXHGLBKEQSQCTE-DBRPNBKGSA-N 1 0 314.223 2.497 10 0 DEAERO COc1cc([C@@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)ccc1F ZINC000714252113 792306252 /nfs/dbraw/zinc/30/62/52/792306252.db2.gz SYFYUOOWULPMKW-YUSALJHKSA-N 1 0 301.383 2.061 10 0 DEAERO CC[C@H]1c2ccsc2CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715160284 792397582 /nfs/dbraw/zinc/39/75/82/792397582.db2.gz AHSKOCYGFBZJTG-NHCYSSNCSA-N 1 0 300.374 2.424 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C2COC(C)(C)OC2)C1 ZINC000715134342 792407262 /nfs/dbraw/zinc/40/72/62/792407262.db2.gz OVOXULDLDMYLCY-TXEJJXNPSA-N 1 0 314.426 2.031 10 0 DEAERO C[C@@H]([NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cn(C)nn1 ZINC000715850469 792525804 /nfs/dbraw/zinc/52/58/04/792525804.db2.gz AWYOEHLMSVAARF-OLZOCXBDSA-N 1 0 323.441 2.255 10 0 DEAERO CS(=O)(=O)C1CC([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000716137463 792562075 /nfs/dbraw/zinc/56/20/75/792562075.db2.gz AZGSWYJUZDPWRF-UHFFFAOYSA-N 1 0 307.337 2.371 10 0 DEAERO CS(=O)(=O)C1CC([NH2+]Cc2cccc(Br)c2)C1 ZINC000716144182 792571537 /nfs/dbraw/zinc/57/15/37/792571537.db2.gz ZQJGUPDAMUMFJT-UHFFFAOYSA-N 1 0 318.236 2.114 10 0 DEAERO COC(=O)[C@H](C)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716671324 792984152 /nfs/dbraw/zinc/98/41/52/792984152.db2.gz GBBQVQFETGPTQK-LLLHUVSDSA-N 1 0 302.418 2.191 10 0 DEAERO CC[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000716855223 793010127 /nfs/dbraw/zinc/01/01/27/793010127.db2.gz VXOJRGNRLCFVKG-YNEHKIRRSA-N 1 0 301.814 2.219 10 0 DEAERO C[C@H](CC[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[S@](C)=O ZINC000300062976 799434761 /nfs/dbraw/zinc/43/47/61/799434761.db2.gz PQZCXPKMDXKXIL-BHVCSQLQSA-N 1 0 318.483 2.133 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCN(C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400406982 801784733 /nfs/dbraw/zinc/78/47/33/801784733.db2.gz RXOBHZIJRBGUKL-KKUMJFAQSA-N 1 0 311.470 2.458 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000401684940 801841267 /nfs/dbraw/zinc/84/12/67/801841267.db2.gz MUECVJLDTOIXQG-YPMHNXCESA-N 1 0 306.410 2.386 10 0 DEAERO CCc1nnc(CN[C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)[nH]1 ZINC000401796582 801851854 /nfs/dbraw/zinc/85/18/54/801851854.db2.gz JVJYDGNNVVUKHK-NWDGAFQWSA-N 1 0 323.441 2.102 10 0 DEAERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1nccn1C ZINC000700736489 1078612419 /nfs/dbraw/zinc/61/24/19/1078612419.db2.gz GRTRYLJKRWZZAE-FRRDWIJNSA-N 1 0 308.426 2.469 10 0 DEAERO CC(C)[C@@](C)(CO)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711451850 1087116842 /nfs/dbraw/zinc/11/68/42/1087116842.db2.gz YLROTCJNTVVAIF-DVOMOZLQSA-N 1 0 300.443 2.286 10 0 DEAERO Cn1cc(C[NH2+]C[C@@H](O)CC2CCCC2)c(Br)n1 ZINC000720674094 1085845776 /nfs/dbraw/zinc/84/57/76/1085845776.db2.gz JMURBRHTIJQGJT-LBPRGKRZSA-N 1 0 316.243 2.213 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Br)cn1 ZINC000720819089 1086168946 /nfs/dbraw/zinc/16/89/46/1086168946.db2.gz YFTOEBIZYRDAMV-STQMWFEESA-N 1 0 324.222 2.153 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Br)o1 ZINC000720818979 1086169108 /nfs/dbraw/zinc/16/91/08/1086169108.db2.gz WSDOVTHUARUOKQ-UWVGGRQHSA-N 1 0 313.195 2.351 10 0 DEAERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ncccc1Br ZINC000720818273 1086169124 /nfs/dbraw/zinc/16/91/24/1086169124.db2.gz UNRZOFUHJCAAJJ-RYUDHWBXSA-N 1 0 324.222 2.153 10 0 DEAERO CCN1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000700746303 1086333615 /nfs/dbraw/zinc/33/36/15/1086333615.db2.gz FEEAMUWUEYIDJU-DZGCQCFKSA-N 1 0 311.470 2.458 10 0 DEAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(Br)nn1C ZINC000701043510 1086347658 /nfs/dbraw/zinc/34/76/58/1086347658.db2.gz MATCLLXXDYMABT-UOKLYIGXSA-N 1 0 302.216 2.084 10 0 DEAERO CO[C@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702107742 1086404045 /nfs/dbraw/zinc/40/40/45/1086404045.db2.gz ALRBACWMIYXJIE-UWWQBHOKSA-N 1 0 302.418 2.002 10 0 DEAERO CSC1(C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CCC1 ZINC000703353248 1086493912 /nfs/dbraw/zinc/49/39/12/1086493912.db2.gz BLLWBGYHYWHFCW-LLVKDONJSA-N 1 0 302.440 2.413 10 0 DEAERO CC[C@@H]1[C@@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)OC(C)(C)C ZINC000704620958 1086584649 /nfs/dbraw/zinc/58/46/49/1086584649.db2.gz KUQDAQMTSPSWSG-UONOGXRCSA-N 1 0 308.426 2.298 10 0 DEAERO CC(C)(O)C(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705608965 1086619008 /nfs/dbraw/zinc/61/90/08/1086619008.db2.gz ICURRJBVCSMLNT-RTBURBONSA-N 1 0 316.445 2.128 10 0 DEAERO CN(CCOCC[NH2+]Cc1cncs1)C(=O)OC(C)(C)C ZINC000705891556 1086628063 /nfs/dbraw/zinc/62/80/63/1086628063.db2.gz KWGCLDZHOJJRMG-UHFFFAOYSA-N 1 0 315.439 2.116 10 0 DEAERO Cn1nc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000706155576 1086632281 /nfs/dbraw/zinc/63/22/81/1086632281.db2.gz UNPBUUDGPBFRGO-WPRPVWTQSA-N 1 0 310.751 2.033 10 0 DEAERO C[NH2+]CCOCCN(C)C(=O)/C=C/c1ccc(Cl)s1 ZINC000707100297 1086659136 /nfs/dbraw/zinc/65/91/36/1086659136.db2.gz CSBQGZRYXCBQMN-GQCTYLIASA-N 1 0 302.827 2.109 10 0 DEAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000708679366 1086679221 /nfs/dbraw/zinc/67/92/21/1086679221.db2.gz HRXPPXIDDBEMCD-YESZJQIVSA-N 1 0 318.417 2.412 10 0 DEAERO CN(C)C1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000709440676 1086682892 /nfs/dbraw/zinc/68/28/92/1086682892.db2.gz KQNNUEIQKKHOEB-ZNMIVQPWSA-N 1 0 323.481 2.458 10 0 DEAERO C[C@]1(C(F)(F)F)CCN(C(=O)c2csc(CC[NH3+])n2)C1 ZINC000709478985 1086682999 /nfs/dbraw/zinc/68/29/99/1086682999.db2.gz PIIKYLJKISFKSY-NSHDSACASA-N 1 0 307.341 2.059 10 0 DEAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000710997709 1086692699 /nfs/dbraw/zinc/69/26/99/1086692699.db2.gz RTPOHGRUZPNTKY-UAGQMJEPSA-N 1 0 304.434 2.248 10 0 DEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000711441295 1087113060 /nfs/dbraw/zinc/11/30/60/1087113060.db2.gz YJSNNTIOJCBFLA-BYNSBNAKSA-N 1 0 312.454 2.430 10 0 DEAERO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cncnc3)CCC[C@H]12 ZINC000711623201 1087177633 /nfs/dbraw/zinc/17/76/33/1087177633.db2.gz KOGQPVRYQRJKSB-WMLDXEAASA-N 1 0 318.421 2.498 10 0 DEAERO Cn1ccnc1C[NH2+][C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000711641505 1087181808 /nfs/dbraw/zinc/18/18/08/1087181808.db2.gz RULRCKZZEGKERE-CXAGYDPISA-N 1 0 320.437 2.442 10 0 DEAERO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1ccc(Br)cc1 ZINC000711651825 1087186596 /nfs/dbraw/zinc/18/65/96/1087186596.db2.gz ABTVCIGBRSLOHQ-TZMCWYRMSA-N 1 0 309.207 2.464 10 0 DEAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000718382477 1088512035 /nfs/dbraw/zinc/51/20/35/1088512035.db2.gz NIADLGKBVXARCG-YJNKXOJESA-N 1 0 303.468 2.280 10 0 DEAERO C[C@@H]1CC[C@H](C[NH3+])N(CCCS(=O)(=O)C(C)(C)C)[C@@H]1C ZINC000718737037 1088636960 /nfs/dbraw/zinc/63/69/60/1088636960.db2.gz YGSQZWJJVWDHPM-MGPQQGTHSA-N 1 0 304.500 2.038 10 0 DEAERO CO[C@@H]1CCC[C@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)CC1 ZINC000718781290 1088648007 /nfs/dbraw/zinc/64/80/07/1088648007.db2.gz YTHKGJRZBGGOET-UONOGXRCSA-N 1 0 303.468 2.139 10 0 DEAERO Cc1cc(-c2nnc(C[N@@H+]3CC[C@H](C4OCCO4)C3)o2)c(C)o1 ZINC000719020807 1088762490 /nfs/dbraw/zinc/76/24/90/1088762490.db2.gz FIMJBEVRNYMEOK-LBPRGKRZSA-N 1 0 319.361 2.141 10 0 DEAERO Cc1nc(CN2CC[NH2+][C@H](C)[C@H]2C)sc1Br ZINC000719274394 1088918740 /nfs/dbraw/zinc/91/87/40/1088918740.db2.gz WIQBMXHUMJIZGO-VXNVDRBHSA-N 1 0 304.257 2.396 10 0 DEAERO Cc1nc(CN2C[C@H](C)[NH2+]C[C@H]2C)sc1Br ZINC000719250972 1088914004 /nfs/dbraw/zinc/91/40/04/1088914004.db2.gz HCPFWQHABHAEQR-JGVFFNPUSA-N 1 0 304.257 2.396 10 0 DEAERO Cc1oc(Br)cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000719391790 1089082117 /nfs/dbraw/zinc/08/21/17/1089082117.db2.gz BQFBEWBPHUFDQS-XCBNKYQSSA-N 1 0 301.184 2.173 10 0 DEAERO C[C@H]1[C@H](NC(=O)c2cscc2Br)CC[N@@H+]1C ZINC000719399048 1089085680 /nfs/dbraw/zinc/08/56/80/1089085680.db2.gz YNWWZCRNISESIF-OIBJUYFYSA-N 1 0 303.225 2.333 10 0 DEAERO COC(C)(C)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000720237902 1089538001 /nfs/dbraw/zinc/53/80/01/1089538001.db2.gz XENHKWCHIXRFRW-WCQYABFASA-N 1 0 301.814 2.483 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(N)nc(Cl)c2)[C@H](C)C1 ZINC000172990744 1090118605 /nfs/dbraw/zinc/11/86/05/1090118605.db2.gz ADRUTICHQXKRGX-ZYHUDNBSSA-N 1 0 310.829 2.120 10 0 DEAERO CO[C@@H]1C[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC[C@@H]1C ZINC000724112496 1143952996 /nfs/dbraw/zinc/95/29/96/1143952996.db2.gz UEZSKSCIPWNTDC-AEJSXWLSSA-N 1 0 305.287 2.292 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000193397914 290603335 /nfs/dbraw/zinc/60/33/35/290603335.db2.gz QRVPDUTUGLMCEC-WCBMZHEXSA-N 1 0 323.245 2.270 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000278296474 214072946 /nfs/dbraw/zinc/07/29/46/214072946.db2.gz HOQNURYFBHTISP-DYVFJYSZSA-N 1 0 317.433 2.224 10 0 DEAERO CS(=O)(=O)CCSC[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000081768941 192322836 /nfs/dbraw/zinc/32/28/36/192322836.db2.gz CKBMWSLRDLRXIW-WRHSUISWSA-N 1 0 317.520 2.308 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2OC[C@@H]1Sc1nnc(N(C)C)s1 ZINC000081769398 192322914 /nfs/dbraw/zinc/32/29/14/192322914.db2.gz VQKDAHAGDUIFMJ-NWDGAFQWSA-N 1 0 322.459 2.418 10 0 DEAERO C[NH2+][C@@H]1c2ccccc2CC[C@H]1Sc1nnnn1C1CC1 ZINC000081867648 192333487 /nfs/dbraw/zinc/33/34/87/192333487.db2.gz HBDJBVSLZCDKAA-ZIAGYGMSSA-N 1 0 301.419 2.376 10 0 DEAERO CC[NH2+][C@H]1CCOC[C@H]1Sc1nnc(C2CC2)n1C1CC1 ZINC000081857431 192333533 /nfs/dbraw/zinc/33/35/33/192333533.db2.gz NFNSTAGOWKRDHG-QWHCGFSZSA-N 1 0 308.451 2.350 10 0 DEAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1Sc1n[nH]c(=O)n1CC ZINC000081879826 192334019 /nfs/dbraw/zinc/33/40/19/192334019.db2.gz KSQFIVIWRIOXHT-AVGNSLFASA-N 1 0 312.483 2.486 10 0 DEAERO CCn1c(SC[C@@H]([NH3+])c2c(C)cc(C)cc2C)n[nH]c1=O ZINC000081879885 192334166 /nfs/dbraw/zinc/33/41/66/192334166.db2.gz QWQNVUANDOJFRS-GFCCVEGCSA-N 1 0 306.435 2.309 10 0 DEAERO [NH3+][C@@H]1CCC2(C[C@@H]1Sc1ncccc1Cl)OCCO2 ZINC000081896657 192335901 /nfs/dbraw/zinc/33/59/01/192335901.db2.gz CKPDHMQGTAYSOF-MNOVXSKESA-N 1 0 300.811 2.450 10 0 DEAERO [NH3+][C@H]1CCC2(C[C@@H]1Sc1ncccc1Cl)OCCO2 ZINC000081896655 192335977 /nfs/dbraw/zinc/33/59/77/192335977.db2.gz CKPDHMQGTAYSOF-QWRGUYRKSA-N 1 0 300.811 2.450 10 0 DEAERO CCCCOC(=O)c1cccc(NC(=O)CSCC[NH3+])c1 ZINC000096751713 185386164 /nfs/dbraw/zinc/38/61/64/185386164.db2.gz CEXYAUMEVOGHBU-UHFFFAOYSA-N 1 0 310.419 2.274 10 0 DEAERO CCC[NH2+][C@H](CS(=O)(=O)CC)c1ccc(OC)c(OC)c1 ZINC000081925005 192339478 /nfs/dbraw/zinc/33/94/78/192339478.db2.gz YTZIPDMXEIHIPB-CYBMUJFWSA-N 1 0 315.435 2.179 10 0 DEAERO COc1cccc(S(=O)(=O)[C@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC000081923354 192339572 /nfs/dbraw/zinc/33/95/72/192339572.db2.gz NNVNOCJFRLVCOT-HOTGVXAUSA-N 1 0 303.383 2.094 10 0 DEAERO CC(C)(C)S(=O)(=O)C[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081924146 192339694 /nfs/dbraw/zinc/33/96/94/192339694.db2.gz USNRXOCDAFZALN-GFCCVEGCSA-N 1 0 313.419 2.061 10 0 DEAERO [NH3+]CCSCC(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000096751711 185386302 /nfs/dbraw/zinc/38/63/02/185386302.db2.gz XEOYWKUOTUQMOA-UHFFFAOYSA-N 1 0 301.415 2.303 10 0 DEAERO CCC[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1S(=O)(=O)CC ZINC000081925725 192340492 /nfs/dbraw/zinc/34/04/92/192340492.db2.gz RVXFIXGUCKNMJD-HOTGVXAUSA-N 1 0 311.447 2.485 10 0 DEAERO [NH3+][C@H]1CCc2nnc(-c3cccc(C(F)(F)F)c3F)n2C1 ZINC000162978789 197603919 /nfs/dbraw/zinc/60/39/19/197603919.db2.gz DDJOPAONKJLUGR-ZETCQYMHSA-N 1 0 300.259 2.377 10 0 DEAERO C[C@@]1(O)CCCN([C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000163010810 197606547 /nfs/dbraw/zinc/60/65/47/197606547.db2.gz JNMDJJCOAAYXAS-UONOGXRCSA-N 1 0 313.239 2.296 10 0 DEAERO COCCn1ncc(Br)c1[C@@H]1CC[C@H]([NH3+])[C@@H]1C ZINC000163278082 197621115 /nfs/dbraw/zinc/62/11/15/197621115.db2.gz VYUZRLPUGOJEMZ-KKZNHRDASA-N 1 0 302.216 2.133 10 0 DEAERO [NH3+][C@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccc(F)cc1F ZINC000081932285 192341073 /nfs/dbraw/zinc/34/10/73/192341073.db2.gz RYXRRSHYMNQEBY-GJZGRUSLSA-N 1 0 309.337 2.363 10 0 DEAERO C[C@H](C(=O)NCc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000164440240 197653730 /nfs/dbraw/zinc/65/37/30/197653730.db2.gz CIOYVZAIBYUZPO-QMMMGPOBSA-N 1 0 315.186 2.060 10 0 DEAERO Nc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1Br ZINC000078893944 185123803 /nfs/dbraw/zinc/12/38/03/185123803.db2.gz UHPKJYDQIVFDOI-UHFFFAOYSA-N 1 0 312.211 2.031 10 0 DEAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)S(=O)(=O)CCOC ZINC000081943733 192343628 /nfs/dbraw/zinc/34/36/28/192343628.db2.gz CYZHIPDCACRWEJ-JKSUJKDBSA-N 1 0 313.463 2.423 10 0 DEAERO CC(C)[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC(N)=S)CC1 ZINC000079342480 185165812 /nfs/dbraw/zinc/16/58/12/185165812.db2.gz JPODAQSZHMXIBQ-CQSZACIVSA-N 1 0 313.511 2.269 10 0 DEAERO CCC[C@@H](CC[NH3+])CCC(=O)N(CCOC)[C@@H](C)COC ZINC000079240841 185162285 /nfs/dbraw/zinc/16/22/85/185162285.db2.gz MDIWBWGYFZMQPO-LSDHHAIUSA-N 1 0 302.459 2.042 10 0 DEAERO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000082315053 185175350 /nfs/dbraw/zinc/17/53/50/185175350.db2.gz ARXBFLAFBVBFFO-AWEZNQCLSA-N 1 0 321.852 2.330 10 0 DEAERO C[N@@H+]1CCC[C@@H]1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000082315045 185175546 /nfs/dbraw/zinc/17/55/46/185175546.db2.gz NSNQGSGWDYZYRR-OAHLLOKOSA-N 1 0 321.852 2.473 10 0 DEAERO CC[NH2+][C@@H](c1ccc(CC)cc1)[C@H](C)S(=O)(=O)CCOC ZINC000081944995 192346256 /nfs/dbraw/zinc/34/62/56/192346256.db2.gz OOHJJPSXYOBMNH-XJKSGUPXSA-N 1 0 313.463 2.349 10 0 DEAERO Ic1cccc(N2CCC[NH2+]CC2)c1 ZINC000083092331 185213034 /nfs/dbraw/zinc/21/30/34/185213034.db2.gz LTWBXICQJWUYHZ-UHFFFAOYSA-N 1 0 302.159 2.091 10 0 DEAERO CCC[C@H](C[NH3+])NC(=O)c1cc(Br)cn1C1CC1 ZINC000087387648 185223261 /nfs/dbraw/zinc/22/32/61/185223261.db2.gz KKSJPWPHWUPFAS-SNVBAGLBSA-N 1 0 314.227 2.443 10 0 DEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000087404427 185223809 /nfs/dbraw/zinc/22/38/09/185223809.db2.gz PXXCOTYZQZIMLJ-JTQLQIEISA-N 1 0 310.341 2.111 10 0 DEAERO Cc1c(C)c(C)c(S(=O)(=O)N[C@H](C[NH3+])C(C)C)c(C)c1C ZINC000087404875 185224004 /nfs/dbraw/zinc/22/40/04/185224004.db2.gz ROEVBYGSLBTFRR-OAHLLOKOSA-N 1 0 312.479 2.490 10 0 DEAERO COc1ccc(C[C@@H]([NH3+])c2cnn(C)c2)cc1Br ZINC000087422991 185224438 /nfs/dbraw/zinc/22/44/38/185224438.db2.gz XKRGBLSAVDFVIU-GFCCVEGCSA-N 1 0 310.195 2.434 10 0 DEAERO CCCc1nnsc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000087455405 185225537 /nfs/dbraw/zinc/22/55/37/185225537.db2.gz VOVQDRZRUATGSQ-VXGBXAGGSA-N 1 0 308.451 2.095 10 0 DEAERO C[C@@H]1CC[C@@H](C)N(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000173146568 282187269 /nfs/dbraw/zinc/18/72/69/282187269.db2.gz NDJOFWDIGZNWCD-OAGGEKHMSA-N 1 0 323.481 2.317 10 0 DEAERO CC(C)[C@@H](C[NH3+])C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000087531924 185227798 /nfs/dbraw/zinc/22/77/98/185227798.db2.gz KIXBBAQYZPTLDG-CYBMUJFWSA-N 1 0 300.349 2.178 10 0 DEAERO COc1ccc([C@@H]([NH3+])CC(C)(C)C(N)=O)c(Br)c1 ZINC000087722729 185231005 /nfs/dbraw/zinc/23/10/05/185231005.db2.gz NVULINMMXGBMAU-NSHDSACASA-N 1 0 315.211 2.359 10 0 DEAERO CC(C)[C@@H]1CCCN1c1nc(NN)[nH+]cc1Br ZINC000087889871 185234752 /nfs/dbraw/zinc/23/47/52/185234752.db2.gz CVZWSKGIBFXXRO-VIFPVBQESA-N 1 0 300.204 2.150 10 0 DEAERO O[C@@H]1CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000328817217 231356272 /nfs/dbraw/zinc/35/62/72/231356272.db2.gz NYUCOGXDNDJYME-RBSFLKMASA-N 1 0 321.421 2.089 10 0 DEAERO CC(C)[NH2+]C[C@H]1CC[C@@H]1n1cc(I)cn1 ZINC000087923964 185237692 /nfs/dbraw/zinc/23/76/92/185237692.db2.gz PASAWQPQNHHEFP-KOLCDFICSA-N 1 0 319.190 2.437 10 0 DEAERO COCCC[C@@H]([NH3+])CNCc1cc(Br)cs1 ZINC000088006027 185237832 /nfs/dbraw/zinc/23/78/32/185237832.db2.gz DBLOIDVHMZHPTK-SNVBAGLBSA-N 1 0 307.257 2.354 10 0 DEAERO COCCC[C@@H]([NH3+])CNCc1ccc(Br)s1 ZINC000088006023 185238118 /nfs/dbraw/zinc/23/81/18/185238118.db2.gz JOLFNWGDUYHUGY-SECBINFHSA-N 1 0 307.257 2.354 10 0 DEAERO COc1ccc(Br)cc1C[S@](=O)C[C@@H](C)[NH3+] ZINC000088069485 185238638 /nfs/dbraw/zinc/23/86/38/185238638.db2.gz NGWHHFGMGNNYPG-BCTVWOGZSA-N 1 0 306.225 2.054 10 0 DEAERO COc1ccc(C[S@@](=O)[C@@H](C)C[NH3+])cc1Br ZINC000088067955 185238672 /nfs/dbraw/zinc/23/86/72/185238672.db2.gz DGPOCHQRDHXTKR-PWJLMRLQSA-N 1 0 306.225 2.054 10 0 DEAERO COc1cc(C)c(Br)cc1[C@@H]([NH3+])CCCC(N)=O ZINC000088078807 185239005 /nfs/dbraw/zinc/23/90/05/185239005.db2.gz CCSQZNDKLVMBDC-NSHDSACASA-N 1 0 315.211 2.422 10 0 DEAERO CC(C)([NH3+])CS(=O)(=O)Cc1ccc(Br)s1 ZINC000088072445 185239026 /nfs/dbraw/zinc/23/90/26/185239026.db2.gz PTLMCGQZIIBBEN-UHFFFAOYSA-N 1 0 312.254 2.163 10 0 DEAERO COc1ccc(C[C@H]([NH3+])[C@H]2CCOC2)cc1Br ZINC000087804444 185232519 /nfs/dbraw/zinc/23/25/19/185232519.db2.gz OYOZEEHMGKHSBB-JQWIXIFHSA-N 1 0 300.196 2.364 10 0 DEAERO Cn1cc(Cn2c(N)[nH+]c3ccc(Br)cc32)cn1 ZINC000087837381 185233146 /nfs/dbraw/zinc/23/31/46/185233146.db2.gz BLXBODULPSMMLD-UHFFFAOYSA-N 1 0 306.167 2.163 10 0 DEAERO C[C@@H](Nc1nc(NN)[nH+]cc1Br)c1nccs1 ZINC000087881417 185234274 /nfs/dbraw/zinc/23/42/74/185234274.db2.gz JGDZWRRPVAFMSD-RXMQYKEDSA-N 1 0 315.200 2.154 10 0 DEAERO CC[NH2+][C@@H]1CCCc2c(O[C@@H]3CCS(=O)(=O)C3)cccc21 ZINC000088152016 185240667 /nfs/dbraw/zinc/24/06/67/185240667.db2.gz NGGTVZBWEZXEDO-IUODEOHRSA-N 1 0 309.431 2.239 10 0 DEAERO Cc1sc2nc(CN3CC[NH2+]CC3(C)C)nc(N)c2c1C ZINC000088139714 185240717 /nfs/dbraw/zinc/24/07/17/185240717.db2.gz YGPZSCIELXXQEI-UHFFFAOYSA-N 1 0 305.451 2.074 10 0 DEAERO [NH3+]C[C@@H]1CC(=O)N(c2c3nsnc3c(Cl)cc2Cl)C1 ZINC000088127986 185240362 /nfs/dbraw/zinc/24/03/62/185240362.db2.gz IQDSRVPNDZXVLQ-YFKPBYRVSA-N 1 0 317.201 2.310 10 0 DEAERO CC[C@H](C[NH3+])S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000088472914 185252323 /nfs/dbraw/zinc/25/23/23/185252323.db2.gz HZFNVMMCUBUORN-MRVPVSSYSA-N 1 0 314.304 2.324 10 0 DEAERO COC(=O)[C@@H](CC[NH+]1CCC(C(F)(F)F)CC1)NC(C)C ZINC000088435440 185250423 /nfs/dbraw/zinc/25/04/23/185250423.db2.gz BFTYBEHQEALXNR-GFCCVEGCSA-N 1 0 310.360 2.190 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]3C2)o1 ZINC000088543959 185256809 /nfs/dbraw/zinc/25/68/09/185256809.db2.gz ZBWPQAZDHAOEFL-QWHCGFSZSA-N 1 0 312.435 2.200 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1ccc(OC)cc1 ZINC000177294615 282203354 /nfs/dbraw/zinc/20/33/54/282203354.db2.gz JIWFYNMVBLAVIX-INIZCTEOSA-N 1 0 319.449 2.363 10 0 DEAERO CCC[NH2+][C@H](Cc1ccc2ccccc2n1)CS(C)(=O)=O ZINC000088519505 185254531 /nfs/dbraw/zinc/25/45/31/185254531.db2.gz OFDTXPQRYZLHTQ-OAHLLOKOSA-N 1 0 306.431 2.190 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)C[C@H](C)CC)o1 ZINC000088543735 185256597 /nfs/dbraw/zinc/25/65/97/185256597.db2.gz AYNXTKZOAKRIGP-GFCCVEGCSA-N 1 0 302.440 2.446 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)o1 ZINC000088543448 185256642 /nfs/dbraw/zinc/25/66/42/185256642.db2.gz ZYKRNBXMHUNBKU-GFCCVEGCSA-N 1 0 300.424 2.341 10 0 DEAERO CC[NH2+]Cc1ncnn1Cc1ccc(Br)cc1F ZINC000088628789 185260603 /nfs/dbraw/zinc/26/06/03/185260603.db2.gz OTBUMHYQEZIACU-UHFFFAOYSA-N 1 0 313.174 2.338 10 0 DEAERO CC[NH2+]Cc1ncnn1Cc1ccc(F)cc1Br ZINC000088628786 185260614 /nfs/dbraw/zinc/26/06/14/185260614.db2.gz JAEQRGKAMWVUDE-UHFFFAOYSA-N 1 0 313.174 2.338 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1sc2ncccc2c1N ZINC000088641863 185260928 /nfs/dbraw/zinc/26/09/28/185260928.db2.gz UFPZPEFIVKZIAN-JTQLQIEISA-N 1 0 304.419 2.093 10 0 DEAERO Cc1ccc2c(N)c(C(=O)NCC(C)(C)[NH+](C)C)sc2n1 ZINC000088642361 185261120 /nfs/dbraw/zinc/26/11/20/185261120.db2.gz PXVXZVVHNLPFMH-UHFFFAOYSA-N 1 0 306.435 2.257 10 0 DEAERO CN1C(=O)C[C@@H]([NH2+]Cc2cc(-c3ccccc3)cs2)C1=O ZINC000088774609 185265402 /nfs/dbraw/zinc/26/54/02/185265402.db2.gz AHFGWDZBJHCNMY-CQSZACIVSA-N 1 0 300.383 2.262 10 0 DEAERO C[NH2+][C@H](C)[C@@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000081982668 192349428 /nfs/dbraw/zinc/34/94/28/192349428.db2.gz DJCBZUIQSFGMRZ-RKDXNWHRSA-N 1 0 306.225 2.219 10 0 DEAERO COCCCS(=O)(=O)C[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000081985227 192349475 /nfs/dbraw/zinc/34/94/75/192349475.db2.gz DNOKQIHNODBYTN-MRXNPFEDSA-N 1 0 307.415 2.291 10 0 DEAERO COc1cccc([C@H]([NH3+])CS(=O)(=O)c2cccc(C)c2)c1 ZINC000081987061 192350193 /nfs/dbraw/zinc/35/01/93/192350193.db2.gz NABWMJBJAFWHHU-MRXNPFEDSA-N 1 0 305.399 2.477 10 0 DEAERO C[NH2+][C@H](CS(=O)(=O)C1CCOCC1)c1cc(C)ccc1C ZINC000081990434 192350414 /nfs/dbraw/zinc/35/04/14/192350414.db2.gz YQJMHUUSOQIWNH-MRXNPFEDSA-N 1 0 311.447 2.158 10 0 DEAERO CCOc1ccc(Cl)cc1NC(=O)C1(C[NH3+])CCOCC1 ZINC000166012504 197686619 /nfs/dbraw/zinc/68/66/19/197686619.db2.gz PXXJDKMFWSJIIN-UHFFFAOYSA-N 1 0 312.797 2.433 10 0 DEAERO CC(C)C[C@](C)(O)C[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000090270327 185288623 /nfs/dbraw/zinc/28/86/23/185288623.db2.gz HWVDTGMZWVAVBL-HOCLYGCPSA-N 1 0 311.447 2.292 10 0 DEAERO CC[NH2+]Cc1cn(-c2c(F)cc(F)cc2Br)nn1 ZINC000090299781 185290043 /nfs/dbraw/zinc/29/00/43/185290043.db2.gz HMTDZADSTDIRNW-UHFFFAOYSA-N 1 0 317.137 2.418 10 0 DEAERO Cc1c(Br)cccc1C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321628 185290916 /nfs/dbraw/zinc/29/09/16/185290916.db2.gz IYPFZBAPOIJBSA-GHMZBOCLSA-N 1 0 309.207 2.049 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)COc1ccc(Cl)cc1 ZINC000090336493 185291537 /nfs/dbraw/zinc/29/15/37/185291537.db2.gz QLZZXBICFRXTRO-FZMZJTMJSA-N 1 0 308.809 2.175 10 0 DEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090337891 185291805 /nfs/dbraw/zinc/29/18/05/185291805.db2.gz GFTLBTNHJPJPPH-RYUDHWBXSA-N 1 0 308.809 2.499 10 0 DEAERO CC[C@@H]([NH3+])CSCC(=O)NC(=O)c1ccccc1Cl ZINC000090357203 185292302 /nfs/dbraw/zinc/29/23/02/185292302.db2.gz KNWRLFYXPNGCKK-SECBINFHSA-N 1 0 300.811 2.067 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000090487336 185298819 /nfs/dbraw/zinc/29/88/19/185298819.db2.gz CYNCWAMXDSQKLD-JQWIXIFHSA-N 1 0 305.403 2.168 10 0 DEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc2nc(C)sc2c1 ZINC000090489171 185298901 /nfs/dbraw/zinc/29/89/01/185298901.db2.gz VMQMWKZNPQKVNC-AAEUAGOBSA-N 1 0 305.403 2.168 10 0 DEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000090487237 185298925 /nfs/dbraw/zinc/29/89/25/185298925.db2.gz JGJQOFHDXATMSI-GXFFZTMASA-N 1 0 312.797 2.220 10 0 DEAERO [NH3+][C@H]1COC[C@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000090379820 185293516 /nfs/dbraw/zinc/29/35/16/185293516.db2.gz UGHDQSIRUPYDLE-SFYZADRCSA-N 1 0 306.309 2.211 10 0 DEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000090541679 185301917 /nfs/dbraw/zinc/30/19/17/185301917.db2.gz SPTJVUKBPXOLSG-MGPQQGTHSA-N 1 0 308.447 2.426 10 0 DEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)Cc1ccc(F)cc1 ZINC000090699961 185310403 /nfs/dbraw/zinc/31/04/03/185310403.db2.gz UGGAVUKENTUHHV-HNNXBMFYSA-N 1 0 310.438 2.264 10 0 DEAERO Cc1nc(C)c(C(=O)N2CCCSC[C@H]2C[NH+](C)C)s1 ZINC000090700061 185310519 /nfs/dbraw/zinc/31/05/19/185310519.db2.gz TXDKCZNCHLGXSG-GFCCVEGCSA-N 1 0 313.492 2.269 10 0 DEAERO Brc1cncnc1N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000090781702 185311785 /nfs/dbraw/zinc/31/17/85/185311785.db2.gz SOVUSCFZCGMGMQ-NWDGAFQWSA-N 1 0 311.227 2.350 10 0 DEAERO [NH3+]C[C@H]1CCCC[C@H]1COc1ncncc1Br ZINC000090782512 185311804 /nfs/dbraw/zinc/31/18/04/185311804.db2.gz MEXIKXJFQZDCFS-ZJUUUORDSA-N 1 0 300.200 2.383 10 0 DEAERO C[C@@H](CO)[C@@H](C)[NH2+]CCOc1cccc(Br)c1 ZINC000167086929 197704049 /nfs/dbraw/zinc/70/40/49/197704049.db2.gz LIUIZLONGSXKSJ-WDEREUQCSA-N 1 0 302.212 2.434 10 0 DEAERO CC[C@@](C)([C@@H](O)Cc1cncc(Br)c1)[NH+](C)C ZINC000167331373 197706807 /nfs/dbraw/zinc/70/68/07/197706807.db2.gz MSOFFULVLSBFMJ-STQMWFEESA-N 1 0 301.228 2.478 10 0 DEAERO CCC[NH2+][C@H](CCc1ccc(OC)cc1)[C@H](C)S(C)(=O)=O ZINC000167360340 197707127 /nfs/dbraw/zinc/70/71/27/197707127.db2.gz NYAHLBKQSBQTPD-XJKSGUPXSA-N 1 0 313.463 2.429 10 0 DEAERO CC[NH+](CC)CC[C@@H](O)Cc1cncc(Br)c1 ZINC000167343289 197707256 /nfs/dbraw/zinc/70/72/56/197707256.db2.gz OUGKYPSDBOYWHN-CYBMUJFWSA-N 1 0 301.228 2.479 10 0 DEAERO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000181406307 199291907 /nfs/dbraw/zinc/29/19/07/199291907.db2.gz BPABCLFDQSBSEG-KGLIPLIRSA-N 1 0 320.433 2.213 10 0 DEAERO COC(=O)c1csc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000092929233 185349385 /nfs/dbraw/zinc/34/93/85/185349385.db2.gz ZACUTAWNGKJSBO-ZYHUDNBSSA-N 1 0 323.418 2.235 10 0 DEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2CC)C12CCOCC2 ZINC000186393193 282274452 /nfs/dbraw/zinc/27/44/52/282274452.db2.gz CUWUZABGGAXQKK-CVEARBPZSA-N 1 0 307.438 2.046 10 0 DEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2CC)C12CCOCC2 ZINC000186393230 282274662 /nfs/dbraw/zinc/27/46/62/282274662.db2.gz CUWUZABGGAXQKK-HZPDHXFCSA-N 1 0 307.438 2.046 10 0 DEAERO CC[NH2+][C@H](CCc1cccs1)C[C@H]1CCS(=O)(=O)C1 ZINC000097192860 185419507 /nfs/dbraw/zinc/41/95/07/185419507.db2.gz CADIXNWCOOAYMD-CHWSQXEVSA-N 1 0 301.477 2.484 10 0 DEAERO CN(C)C(=O)c1cc(NC(=O)[C@@]2(C)CCC[NH2+]2)ccc1Cl ZINC000079514601 539372466 /nfs/dbraw/zinc/37/24/66/539372466.db2.gz RHRGUBIOVFHHDB-OAHLLOKOSA-N 1 0 309.797 2.122 10 0 DEAERO O=C(c1cncc(Cl)n1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000192348144 282343353 /nfs/dbraw/zinc/34/33/53/282343353.db2.gz GBYXBRYJDCHUDR-LBPRGKRZSA-N 1 0 308.813 2.221 10 0 DEAERO C[C@@H](O)CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000085989342 539403571 /nfs/dbraw/zinc/40/35/71/539403571.db2.gz SRIXTCKUGLIYLQ-ZJUUUORDSA-N 1 0 308.205 2.094 10 0 DEAERO C[NH+]1CCC([C@@H]2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC000328648740 530050908 /nfs/dbraw/zinc/05/09/08/530050908.db2.gz IMSTZXFTQVBHTH-CVEARBPZSA-N 1 0 321.465 2.466 10 0 DEAERO COc1cc2c(cc1C[NH2+]CC[C@H](C)[S@](C)=O)O[C@@H](C)C2 ZINC000222592784 282370301 /nfs/dbraw/zinc/37/03/01/282370301.db2.gz JEBUFYQRDAUQBC-OABGYEMISA-N 1 0 311.447 2.265 10 0 DEAERO O=C(N1CCC[C@H](C(F)(F)F)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244661 539440342 /nfs/dbraw/zinc/44/03/42/539440342.db2.gz SWKVPNOHTTWHPI-WPRPVWTQSA-N 1 0 318.261 2.329 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)[C@H](C)CC(C)C ZINC000245436527 282388421 /nfs/dbraw/zinc/38/84/21/282388421.db2.gz RBHIWFYSQZPBQP-ZACQAIPSSA-N 1 0 309.498 2.438 10 0 DEAERO CN(Cc1cc(Br)ccc1F)C[C@H]1C[NH2+]CCO1 ZINC000125359933 539473146 /nfs/dbraw/zinc/47/31/46/539473146.db2.gz QZBONGLHHKILOL-GFCCVEGCSA-N 1 0 317.202 2.008 10 0 DEAERO CCS(=O)(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000127588632 539482582 /nfs/dbraw/zinc/48/25/82/539482582.db2.gz DJVYQHBVVFYQRE-SECBINFHSA-N 1 0 310.872 2.382 10 0 DEAERO CCO[C@H]1CCCN(c2nc3sccn3c2C[C@@H](C)[NH3+])C1 ZINC000111511582 185610199 /nfs/dbraw/zinc/61/01/99/185610199.db2.gz UKDWXNWCHOPBEN-NEPJUHHUSA-N 1 0 308.451 2.291 10 0 DEAERO CC[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000111644615 185620078 /nfs/dbraw/zinc/62/00/78/185620078.db2.gz ZHZVFVCZQBGDNB-DJIMGWMZSA-N 1 0 304.434 2.185 10 0 DEAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)CC1(CC(=O)OC)CCCC1 ZINC000615761902 362699107 /nfs/dbraw/zinc/69/91/07/362699107.db2.gz YTBUEEIHSPTNOZ-HNNXBMFYSA-N 1 0 324.465 2.491 10 0 DEAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000183326528 199575284 /nfs/dbraw/zinc/57/52/84/199575284.db2.gz MYGIUBOYUNHMDD-KRWDZBQOSA-N 1 0 300.402 2.439 10 0 DEAERO C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@@H]1CCCCO1 ZINC000333811174 282969902 /nfs/dbraw/zinc/96/99/02/282969902.db2.gz PPFTUKDCWHNNOO-XBVQOTNRSA-N 1 0 317.433 2.080 10 0 DEAERO COc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)cc(Cl)c1O ZINC000153617768 539545745 /nfs/dbraw/zinc/54/57/45/539545745.db2.gz QZIOVCANQJVTND-UHFFFAOYSA-N 1 0 324.808 2.222 10 0 DEAERO c1ccc2c(c1)CC[C@@H]2CC[NH+]1CCN(c2nccnn2)CC1 ZINC000625644468 365859060 /nfs/dbraw/zinc/85/90/60/365859060.db2.gz ICFZXODQDXDDJX-MRXNPFEDSA-N 1 0 309.417 2.114 10 0 DEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000126678867 185884263 /nfs/dbraw/zinc/88/42/63/185884263.db2.gz MPELWIXJVOVGJD-HOCLYGCPSA-N 1 0 309.431 2.239 10 0 DEAERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)c1ccc(Br)cn1 ZINC000070179915 190868697 /nfs/dbraw/zinc/86/86/97/190868697.db2.gz AFAINLBOSZZYCI-UWVGGRQHSA-N 1 0 312.211 2.044 10 0 DEAERO C[C@H]1CC[C@H](C[NH3+])CN1S(=O)(=O)c1ccccc1Cl ZINC000070181172 190868785 /nfs/dbraw/zinc/86/87/85/190868785.db2.gz XIWZTYXDJUQCIM-WDEREUQCSA-N 1 0 302.827 2.088 10 0 DEAERO CCN(C(C)=O)c1nc(CN2C[C@@H](C[NH3+])CC[C@@H]2C)cs1 ZINC000070182945 190868913 /nfs/dbraw/zinc/86/89/13/190868913.db2.gz ZQHAWCBQNAKWDP-WCQYABFASA-N 1 0 310.467 2.075 10 0 DEAERO C[C@@H]1CC[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000070181275 190869011 /nfs/dbraw/zinc/86/90/11/190869011.db2.gz NXDYRSZXLFAZCB-NXEZZACHSA-N 1 0 320.817 2.227 10 0 DEAERO CCn1cc(Br)cc1C(=O)N1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000070146053 190862927 /nfs/dbraw/zinc/86/29/27/190862927.db2.gz CVEQRMVCAHVSLU-ONGXEEELSA-N 1 0 314.227 2.080 10 0 DEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2cccc(N)n2)C1 ZINC000616621469 362899293 /nfs/dbraw/zinc/89/92/93/362899293.db2.gz PBGCCLRZBCYVCN-ZDUSSCGKSA-N 1 0 320.437 2.368 10 0 DEAERO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[NH2+]C1 ZINC000616568457 362893237 /nfs/dbraw/zinc/89/32/37/362893237.db2.gz QYFMPAGQUWLJBZ-SFHVURJKSA-N 1 0 313.401 2.342 10 0 DEAERO CC(C)(C)OC(=O)NCC[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616635409 362901771 /nfs/dbraw/zinc/90/17/71/362901771.db2.gz APKVBWUCSSZKPE-INIZCTEOSA-N 1 0 319.449 2.375 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000175406838 539623618 /nfs/dbraw/zinc/62/36/18/539623618.db2.gz LPCXDBWHLFJFSZ-DOMZBBRYSA-N 1 0 315.417 2.105 10 0 DEAERO COC1(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CCOCC1 ZINC000178437827 539636654 /nfs/dbraw/zinc/63/66/54/539636654.db2.gz AGVNPTPKHKYHDK-UHFFFAOYSA-N 1 0 301.390 2.362 10 0 DEAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000181035318 539648119 /nfs/dbraw/zinc/64/81/19/539648119.db2.gz RUJDYWBDYIHEDP-NWDGAFQWSA-N 1 0 311.389 2.167 10 0 DEAERO CC[N@@H+]1CCC[C@H](Nc2ncc(Br)c(OC)n2)C1 ZINC000180423201 539644882 /nfs/dbraw/zinc/64/48/82/539644882.db2.gz AVCQDJWTZSABQD-VIFPVBQESA-N 1 0 315.215 2.144 10 0 DEAERO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)CC2CC2)cc1OC ZINC000180839845 539647270 /nfs/dbraw/zinc/64/72/70/539647270.db2.gz PIXKRAIHGVHPED-LBPRGKRZSA-N 1 0 306.406 2.223 10 0 DEAERO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)[C@@H]1CCCO1 ZINC000183179732 539660181 /nfs/dbraw/zinc/66/01/81/539660181.db2.gz MEFJBAURILISTG-GWCFXTLKSA-N 1 0 314.332 2.384 10 0 DEAERO COc1cccc([C@@H](CNC(=O)c2ccn(C)c2C)[NH+](C)C)c1 ZINC000194988264 539719570 /nfs/dbraw/zinc/71/95/70/539719570.db2.gz SSWUDMUMHVXKKH-QGZVFWFLSA-N 1 0 315.417 2.375 10 0 DEAERO [NH3+]C[C@]1(Cc2ccc(I)cc2)CCOC1 ZINC000083851464 192387874 /nfs/dbraw/zinc/38/78/74/192387874.db2.gz ZSNBJNYDQYPOGT-GFCCVEGCSA-N 1 0 317.170 2.199 10 0 DEAERO CC[C@@](C)(O)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000083799451 192384364 /nfs/dbraw/zinc/38/43/64/192384364.db2.gz QMFDOLRLBCTBIE-CZUORRHYSA-N 1 0 300.443 2.384 10 0 DEAERO Cc1ccc([S@@](=O)[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)cc1C ZINC000083998157 192395111 /nfs/dbraw/zinc/39/51/11/192395111.db2.gz LCMONPSJVSLLDQ-GXZWQRSESA-N 1 0 309.431 2.034 10 0 DEAERO COc1cccc([S@@](=O)Cc2cc(C[NH3+])ccc2OC)c1 ZINC000084002951 192395220 /nfs/dbraw/zinc/39/52/20/192395220.db2.gz KIQMIEFZOJAYLT-OAQYLSRUSA-N 1 0 305.399 2.470 10 0 DEAERO C[NH2+][C@@H](C[S@@](=O)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000084052350 192397754 /nfs/dbraw/zinc/39/77/54/192397754.db2.gz PBHXRHTVWKUVEY-QKKBWIMNSA-N 1 0 309.431 2.410 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000170845222 197835470 /nfs/dbraw/zinc/83/54/70/197835470.db2.gz JOXLWYLMSQXKJS-HNNXBMFYSA-N 1 0 317.433 2.085 10 0 DEAERO CCCc1ccc([C@@H](CS(=O)(=O)CCCOC)[NH2+]C)cc1 ZINC000083985548 192394283 /nfs/dbraw/zinc/39/42/83/192394283.db2.gz DCSHCDJVBIEYFM-MRXNPFEDSA-N 1 0 313.463 2.351 10 0 DEAERO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)[C@H](C)CO ZINC000228720937 539731712 /nfs/dbraw/zinc/73/17/12/539731712.db2.gz GQORDZGTFVLTEZ-GMTAPVOTSA-N 1 0 322.232 2.340 10 0 DEAERO OCCCCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000229124533 539732944 /nfs/dbraw/zinc/73/29/44/539732944.db2.gz WFEQCZLJDXKUGQ-LLVKDONJSA-N 1 0 322.232 2.485 10 0 DEAERO CCCCc1nc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cs1 ZINC000247768020 535099870 /nfs/dbraw/zinc/09/98/70/535099870.db2.gz OKBZEEXOWDZUAC-UONOGXRCSA-N 1 0 311.495 2.373 10 0 DEAERO Cn1cc(CN2Cc3c(cccc3C(F)(F)F)[C@H]2C[NH3+])cn1 ZINC000071684184 191007949 /nfs/dbraw/zinc/00/79/49/191007949.db2.gz AWDKNRSZGTYMOE-CQSZACIVSA-N 1 0 310.323 2.455 10 0 DEAERO C[NH2+][C@@H]1CCCN(C(=O)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000133629406 186001131 /nfs/dbraw/zinc/00/11/31/186001131.db2.gz IKBUHLUZCAXOGK-CYBMUJFWSA-N 1 0 300.406 2.014 10 0 DEAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000133686436 186006927 /nfs/dbraw/zinc/00/69/27/186006927.db2.gz ZQFPBVJXDUVZPT-RRFJBIMHSA-N 1 0 322.474 2.123 10 0 DEAERO CS(=O)(=O)Nc1ccc(N[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000133718975 186009532 /nfs/dbraw/zinc/00/95/32/186009532.db2.gz JJTWEXQKYUCMNS-SNVBAGLBSA-N 1 0 317.842 2.266 10 0 DEAERO CS(=O)(=O)c1cccc2[nH]c(-c3ccc(C[NH3+])cc3)nc21 ZINC000138149945 186014478 /nfs/dbraw/zinc/01/44/78/186014478.db2.gz ODLDRZHSKRZPLL-UHFFFAOYSA-N 1 0 301.371 2.092 10 0 DEAERO Cn1c2ccc(Br)cc2nc1C1(C[NH3+])CCOCC1 ZINC000138151158 186014548 /nfs/dbraw/zinc/01/45/48/186014548.db2.gz UTVMWAPOKJIAID-UHFFFAOYSA-N 1 0 324.222 2.343 10 0 DEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cccc(Br)c1O ZINC000133839309 186013241 /nfs/dbraw/zinc/01/32/41/186013241.db2.gz RLRRPCZPYNKFEP-RKDXNWHRSA-N 1 0 313.195 2.468 10 0 DEAERO C[NH2+][C@H](Cc1cccnc1N)c1ncccc1Br ZINC000140436280 186026864 /nfs/dbraw/zinc/02/68/64/186026864.db2.gz MFAYWZBYOIYLAP-LLVKDONJSA-N 1 0 307.195 2.325 10 0 DEAERO C[C@H]1CCCCCN1S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139105719 186020550 /nfs/dbraw/zinc/02/05/50/186020550.db2.gz VSYGERVCLRUFEN-JTQLQIEISA-N 1 0 318.389 2.377 10 0 DEAERO CC1(C)CC[C@@H](NS(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1 ZINC000139363011 186021493 /nfs/dbraw/zinc/02/14/93/186021493.db2.gz KYODNNPGFFIXMW-SNVBAGLBSA-N 1 0 318.389 2.281 10 0 DEAERO CCC[C@@H]1CCN(S(=O)(=O)c2cc(C[NH3+])cc(F)c2F)C1 ZINC000139296474 186021860 /nfs/dbraw/zinc/02/18/60/186021860.db2.gz JJGIXHCYHVIXRJ-SNVBAGLBSA-N 1 0 318.389 2.234 10 0 DEAERO Brc1ccc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)nc1 ZINC000139829956 186024919 /nfs/dbraw/zinc/02/49/19/186024919.db2.gz XUARDBRXMINFOQ-SECBINFHSA-N 1 0 323.194 2.436 10 0 DEAERO C[NH+](C)CCn1ncc(Cl)c1[C@H](O)[C@]1(C)CCCS1 ZINC000140179329 186025868 /nfs/dbraw/zinc/02/58/68/186025868.db2.gz AIYNQFQWSDKOCZ-STQMWFEESA-N 1 0 303.859 2.417 10 0 DEAERO Cn1cccc1C(=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072169028 191067771 /nfs/dbraw/zinc/06/77/71/191067771.db2.gz UPJXUBNDQCVZHZ-GOSISDBHSA-N 1 0 323.440 2.340 10 0 DEAERO CNc1ncc(C(=O)NCC2([NH+](C)C)CCCC2)cc1Cl ZINC000147423692 186039403 /nfs/dbraw/zinc/03/94/03/186039403.db2.gz OINXVWZROOSNRH-UHFFFAOYSA-N 1 0 310.829 2.381 10 0 DEAERO CC[C@@H]1CN(S(=O)(=O)C[C@@H](C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000147395593 186039689 /nfs/dbraw/zinc/03/96/89/186039689.db2.gz IEKVPLOBRDVOPF-FMKPAKJESA-N 1 0 310.463 2.179 10 0 DEAERO [NH3+]CC1(CC(=O)Nc2ccc3c(c2)NC(=O)CS3)CCC1 ZINC000147715954 186041225 /nfs/dbraw/zinc/04/12/25/186041225.db2.gz WXHZSFPFLFDEMF-UHFFFAOYSA-N 1 0 305.403 2.188 10 0 DEAERO CCNc1ncc(Br)c(OCC[NH+](CC)CC)n1 ZINC000147998015 186042600 /nfs/dbraw/zinc/04/26/00/186042600.db2.gz KOUGCEZZOCWAAX-UHFFFAOYSA-N 1 0 317.231 2.392 10 0 DEAERO CCC[NH2+]Cc1ccc(C)c(S(=O)(=O)NCC(F)F)c1 ZINC000148152005 186043103 /nfs/dbraw/zinc/04/31/03/186043103.db2.gz AYLVRWBLMNGFEW-UHFFFAOYSA-N 1 0 306.378 2.038 10 0 DEAERO CCC[NH2+]Cc1cc(C)c(C)c(S(=O)(=O)NCC(F)F)c1 ZINC000148158010 186043228 /nfs/dbraw/zinc/04/32/28/186043228.db2.gz JGZNMSALOHPBBO-UHFFFAOYSA-N 1 0 320.405 2.346 10 0 DEAERO C[C@H](O)C(C)(C)[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000144873748 186035815 /nfs/dbraw/zinc/03/58/15/186035815.db2.gz JXXTXKLTATYWMJ-VIFPVBQESA-N 1 0 304.312 2.436 10 0 DEAERO CC(C)[C@H](C[NH+](C)C)N1C(=O)C2(CC2)N[C@@H]1c1cccs1 ZINC000145075246 186036257 /nfs/dbraw/zinc/03/62/57/186036257.db2.gz KTSZAYYANHEFTA-JSGCOSHPSA-N 1 0 307.463 2.297 10 0 DEAERO C[C@@H](C[NH+]1CCCC1)N1C(=O)C2(CC2)N[C@@H]1c1ccsc1 ZINC000145809470 186037898 /nfs/dbraw/zinc/03/78/98/186037898.db2.gz BHZZVKOXTQAGCT-JSGCOSHPSA-N 1 0 305.447 2.195 10 0 DEAERO CC[NH2+][C@H](c1sccc1Br)[C@@H]1CN(C)CCO1 ZINC000147272163 186039026 /nfs/dbraw/zinc/03/90/26/186039026.db2.gz DUIRMHQEGPGCHP-QWRGUYRKSA-N 1 0 319.268 2.492 10 0 DEAERO C[C@@H](CS(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000149372850 186049713 /nfs/dbraw/zinc/04/97/13/186049713.db2.gz IFEULLDRHICFHR-KBPBESRZSA-N 1 0 310.463 2.098 10 0 DEAERO CC[C@H](C[NH3+])CC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000149513935 186050916 /nfs/dbraw/zinc/05/09/16/186050916.db2.gz LFAVVLGIBNKOML-JTQLQIEISA-N 1 0 311.813 2.355 10 0 DEAERO Cc1nc(C[C@H]2CN(C)CCN2C)sc1C[NH2+]C(C)(C)C ZINC000149812448 186053195 /nfs/dbraw/zinc/05/31/95/186053195.db2.gz DSHTWZFPOAEBJM-ZDUSSCGKSA-N 1 0 310.511 2.128 10 0 DEAERO CC(C)n1c(C[NH3+])nnc1SCc1cn2ccsc2n1 ZINC000148750820 186045448 /nfs/dbraw/zinc/04/54/48/186045448.db2.gz GUWXISUHOAIXHL-UHFFFAOYSA-N 1 0 308.436 2.319 10 0 DEAERO CC[NH2+][C@H](c1cccc2cnccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000150169882 186055448 /nfs/dbraw/zinc/05/54/48/186055448.db2.gz OEDJMJSBVKCCJY-CJNGLKHVSA-N 1 0 304.415 2.320 10 0 DEAERO CC[NH2+][C@@H]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC2(CCCC2)C1 ZINC000150173158 186055681 /nfs/dbraw/zinc/05/56/81/186055681.db2.gz SVNKXWDXIBBHII-RBSFLKMASA-N 1 0 315.479 2.139 10 0 DEAERO [NH3+]Cc1sc([C@H]2CCS(=O)(=O)C2)nc1-c1ccccc1 ZINC000150326866 186056738 /nfs/dbraw/zinc/05/67/38/186056738.db2.gz CGHKDBJGWYKXEL-NSHDSACASA-N 1 0 308.428 2.171 10 0 DEAERO CCCC[C@@H](C[NH3+])Nc1nc(C(F)(F)F)ccc1C(N)=O ZINC000150332971 186056850 /nfs/dbraw/zinc/05/68/50/186056850.db2.gz XGQCHKMBAHZSOK-QMMMGPOBSA-N 1 0 304.316 2.129 10 0 DEAERO COc1ccccc1/C=C\C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000255775699 539786677 /nfs/dbraw/zinc/78/66/77/539786677.db2.gz SSJUCUIROSFXSB-XQDHMALISA-N 1 0 302.418 2.115 10 0 DEAERO COc1ccc(OC)c(CCC(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000152608373 186089505 /nfs/dbraw/zinc/08/95/05/186089505.db2.gz OKQLDMIEGXKZQC-CQSZACIVSA-N 1 0 320.433 2.142 10 0 DEAERO COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000171182038 197893424 /nfs/dbraw/zinc/89/34/24/197893424.db2.gz WZCUERVMXCYVPV-HUUCEWRRSA-N 1 0 302.374 2.030 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000155719597 186106292 /nfs/dbraw/zinc/10/62/92/186106292.db2.gz QDQHBFXKTBCPJP-AWEZNQCLSA-N 1 0 322.478 2.062 10 0 DEAERO Cc1ccc(Br)c(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)c1 ZINC000163969610 186144218 /nfs/dbraw/zinc/14/42/18/186144218.db2.gz MPLRTAFSHZLHSD-BXKDBHETSA-N 1 0 313.195 2.202 10 0 DEAERO CC(C(=O)Nc1ccccc1OCC(F)(F)F)=C1C[NH2+]C1 ZINC000163983176 186144721 /nfs/dbraw/zinc/14/47/21/186144721.db2.gz TVMSCJZYMVTHQN-UHFFFAOYSA-N 1 0 300.280 2.486 10 0 DEAERO COc1ccc(OC(F)F)c(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000164003381 186145168 /nfs/dbraw/zinc/14/51/68/186145168.db2.gz NLEKBEPEESNMPC-QMMMGPOBSA-N 1 0 300.305 2.091 10 0 DEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)NC2CC(C)C2)c(F)c1 ZINC000163993136 186145228 /nfs/dbraw/zinc/14/52/28/186145228.db2.gz QEOYPUCKDSVKDU-UHFFFAOYSA-N 1 0 314.426 2.401 10 0 DEAERO COCCn1ncc(Br)c1[C@H](F)[C@H]1CCC[NH2+]C1 ZINC000164011459 186145844 /nfs/dbraw/zinc/14/58/44/186145844.db2.gz NOILTYLXVCHMKK-GXSJLCMTSA-N 1 0 320.206 2.302 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@H]1CCCC[NH2+]1 ZINC000164062651 186147494 /nfs/dbraw/zinc/14/74/94/186147494.db2.gz DJRGFXDROFHQRU-SNVBAGLBSA-N 1 0 300.200 2.380 10 0 DEAERO C[C@@H]([NH3+])CN(C)c1ncc(Br)cc1Br ZINC000164079418 186148488 /nfs/dbraw/zinc/14/84/88/186148488.db2.gz NLTVVYCGVWNBPL-ZCFIWIBFSA-N 1 0 323.032 2.390 10 0 DEAERO O=C(Nc1ccccc1C(F)(F)F)OC[C@H]1C[NH2+]CCO1 ZINC000164142241 186149609 /nfs/dbraw/zinc/14/96/09/186149609.db2.gz FWPKZTKNKUQCLL-SECBINFHSA-N 1 0 304.268 2.242 10 0 DEAERO O=C(NC[C@@H]1CCC[NH2+]C1)c1cccc(F)c1Br ZINC000155977964 186124933 /nfs/dbraw/zinc/12/49/33/186124933.db2.gz YIBVGMTUJJHJSW-SECBINFHSA-N 1 0 315.186 2.318 10 0 DEAERO CCC[NH2+]CC(CC)(CC)CN1C[C@H](CO)OC(C)(C)C1 ZINC000163923054 186142340 /nfs/dbraw/zinc/14/23/40/186142340.db2.gz ULVPDXVCEWLIGD-OAHLLOKOSA-N 1 0 300.487 2.264 10 0 DEAERO C[N@@H+]1CC[C@H](Nc2ccc(C(F)(F)F)c(C(N)=S)c2)C1 ZINC000164184848 186151673 /nfs/dbraw/zinc/15/16/73/186151673.db2.gz VRFWSFNZENBEGM-VIFPVBQESA-N 1 0 303.353 2.456 10 0 DEAERO COCCn1ncc(Cl)c1C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000164225671 186152434 /nfs/dbraw/zinc/15/24/34/186152434.db2.gz BZWILJQIFDLDJI-GFCCVEGCSA-N 1 0 307.781 2.108 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@@H](C[NH3+])C(C)C ZINC000164292776 186155129 /nfs/dbraw/zinc/15/51/29/186155129.db2.gz LMVUPHOXJAUNAO-VIFPVBQESA-N 1 0 302.216 2.469 10 0 DEAERO CCCn1ncc(Br)c1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000164366881 186157534 /nfs/dbraw/zinc/15/75/34/186157534.db2.gz IOCRIFOCIRIODZ-SCZZXKLOSA-N 1 0 300.200 2.366 10 0 DEAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000187991279 186240542 /nfs/dbraw/zinc/24/05/42/186240542.db2.gz INEVCNNMIGWWKB-KSSFIOAISA-N 1 0 304.434 2.371 10 0 DEAERO Cc1cccc(CNC(=O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)c1 ZINC000188020768 186244966 /nfs/dbraw/zinc/24/49/66/186244966.db2.gz YAOUZNVINIJVRE-MAUKXSAKSA-N 1 0 304.434 2.094 10 0 DEAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)c[nH]1 ZINC000617019940 363001025 /nfs/dbraw/zinc/00/10/25/363001025.db2.gz VEWHZZDEKUQUPH-SNVBAGLBSA-N 1 0 314.227 2.380 10 0 DEAERO CCOc1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171900459 198003653 /nfs/dbraw/zinc/00/36/53/198003653.db2.gz KOSPJVSZBSMJBC-OAHLLOKOSA-N 1 0 303.406 2.075 10 0 DEAERO C/C(=C\C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000172305844 198076202 /nfs/dbraw/zinc/07/62/02/198076202.db2.gz LLYOSNFJEVOEQY-QSOAKEGCSA-N 1 0 306.381 2.018 10 0 DEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000324545577 539907913 /nfs/dbraw/zinc/90/79/13/539907913.db2.gz SUMSBLWBSVAWDB-SMDDNHRTSA-N 1 0 301.814 2.076 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@H](C)COCc1ccccc1 ZINC000173263187 198203856 /nfs/dbraw/zinc/20/38/56/198203856.db2.gz YGPFMJYWNDVVRF-OAHLLOKOSA-N 1 0 307.438 2.233 10 0 DEAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(F)cccc2F)CC[N@@H+]1C ZINC000173273170 198204015 /nfs/dbraw/zinc/20/40/15/198204015.db2.gz WFPSKHSNAOEBBW-WDEREUQCSA-N 1 0 318.389 2.068 10 0 DEAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000173276596 198205300 /nfs/dbraw/zinc/20/53/00/198205300.db2.gz PCQMVHJBIMTYPX-CJNGLKHVSA-N 1 0 322.474 2.279 10 0 DEAERO COc1ccc(Cl)c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000333186932 539951037 /nfs/dbraw/zinc/95/10/37/539951037.db2.gz RAFGUHUWNSKZRH-GHMZBOCLSA-N 1 0 309.797 2.422 10 0 DEAERO Cc1nc([C@H]2CCCN2C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cs1 ZINC000333649206 539966899 /nfs/dbraw/zinc/96/68/99/539966899.db2.gz JNAROWBNNDEUKG-VHRBIJSZSA-N 1 0 308.451 2.296 10 0 DEAERO Fc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333683942 539968567 /nfs/dbraw/zinc/96/85/67/539968567.db2.gz FLVZQKJGRRCPQU-TZMCWYRMSA-N 1 0 317.368 2.021 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCO[C@@H](C3CCCCC3)C2)C1 ZINC000333651067 539966997 /nfs/dbraw/zinc/96/69/97/539966997.db2.gz JUAAJUYSMJYMGE-BZUAXINKSA-N 1 0 309.454 2.247 10 0 DEAERO COc1ccc(Cl)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333935526 539975279 /nfs/dbraw/zinc/97/52/79/539975279.db2.gz JNSAUWJWDFTOEG-QWRGUYRKSA-N 1 0 309.797 2.422 10 0 DEAERO Cn1nccc1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000174579718 198354896 /nfs/dbraw/zinc/35/48/96/198354896.db2.gz PVOYVXHUXKAIPG-UHFFFAOYSA-N 1 0 312.373 2.158 10 0 DEAERO C[C@H]1C[C@@H](N(C)C(=O)NCCc2cccc(O)c2)CC[N@@H+]1C ZINC000174616300 198359448 /nfs/dbraw/zinc/35/94/48/198359448.db2.gz GAEJHGHKAOHXPU-ZFWWWQNUSA-N 1 0 305.422 2.059 10 0 DEAERO C[C@H]1C[C@H](N(C)C(=O)NCCc2cccc(O)c2)CC[N@@H+]1C ZINC000174616275 198360027 /nfs/dbraw/zinc/36/00/27/198360027.db2.gz GAEJHGHKAOHXPU-DZGCQCFKSA-N 1 0 305.422 2.059 10 0 DEAERO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000182120377 199389062 /nfs/dbraw/zinc/38/90/62/199389062.db2.gz PJZHYIYBFWBDQT-OLZOCXBDSA-N 1 0 302.827 2.180 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccccc2C)[C@H](C)C1 ZINC000174779830 198384175 /nfs/dbraw/zinc/38/41/75/198384175.db2.gz XFPRNKMACKXLQG-SJLPKXTDSA-N 1 0 317.477 2.273 10 0 DEAERO COCC[N@@H+]1CCN(C[C@H](O)c2cccc(Cl)c2)C[C@@H]1C ZINC000174782431 198384443 /nfs/dbraw/zinc/38/44/43/198384443.db2.gz BSRGLBWNFSTYGL-BBRMVZONSA-N 1 0 312.841 2.026 10 0 DEAERO C[C@@H]1C[C@H](N(C)CC(=O)N(C)Cc2cccs2)CC[N@@H+]1C ZINC000174873759 198396300 /nfs/dbraw/zinc/39/63/00/198396300.db2.gz OHAJSQFTGCSGIE-ZIAGYGMSSA-N 1 0 309.479 2.121 10 0 DEAERO CCCc1nc(C)c(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)o1 ZINC000333533918 282943908 /nfs/dbraw/zinc/94/39/08/282943908.db2.gz IHIWELZVSAJLDS-UHFFFAOYSA-N 1 0 320.437 2.221 10 0 DEAERO O=C(N[C@@H]1CCCc2occc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000333945884 282993075 /nfs/dbraw/zinc/99/30/75/282993075.db2.gz UCIPNPQBYVAEBA-CQSZACIVSA-N 1 0 303.406 2.442 10 0 DEAERO Brc1cc(C[NH2+]Cc2cn[nH]c2)cc2c1OCCO2 ZINC000038006114 354166993 /nfs/dbraw/zinc/16/69/93/354166993.db2.gz WLDBOPKGVDYSPK-UHFFFAOYSA-N 1 0 324.178 2.233 10 0 DEAERO Nc1cc(N)[nH+]c(SCc2noc(-c3ccc(F)cc3)n2)n1 ZINC000031820159 354140484 /nfs/dbraw/zinc/14/04/84/354140484.db2.gz LBRHERREXLLVNU-UHFFFAOYSA-N 1 0 318.337 2.122 10 0 DEAERO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc2ncccc21 ZINC000176854896 198630050 /nfs/dbraw/zinc/63/00/50/198630050.db2.gz IGEYYFPHRWZHPA-CQSZACIVSA-N 1 0 315.417 2.321 10 0 DEAERO Cc1ccccc1CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176874059 198632312 /nfs/dbraw/zinc/63/23/12/198632312.db2.gz KTUZDZCZXNTYSC-MRXNPFEDSA-N 1 0 318.461 2.089 10 0 DEAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1cscn1 ZINC000051751608 354389044 /nfs/dbraw/zinc/38/90/44/354389044.db2.gz CGCBVSXICMPMLE-CQSZACIVSA-N 1 0 318.446 2.115 10 0 DEAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000054147899 354454672 /nfs/dbraw/zinc/45/46/72/354454672.db2.gz LZECXEYYWQUAEM-MLGOLLRUSA-N 1 0 315.417 2.105 10 0 DEAERO Cc1c(C(=O)N2CCC([NH+](C)C)CC2)[nH]c2c1C(=O)CCC2 ZINC000063735228 354654851 /nfs/dbraw/zinc/65/48/51/354654851.db2.gz JNIFHIMETYUSJO-UHFFFAOYSA-N 1 0 303.406 2.008 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)C1 ZINC000066050053 354699109 /nfs/dbraw/zinc/69/91/09/354699109.db2.gz XPFYLDRFHHVWDF-NWDGAFQWSA-N 1 0 312.360 2.333 10 0 DEAERO CC(C)NC(=O)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000065255735 354681077 /nfs/dbraw/zinc/68/10/77/354681077.db2.gz GOUIHPBFTMKCBD-QGZVFWFLSA-N 1 0 324.428 2.371 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCOc1ccc(C)cc1 ZINC000074489870 355032331 /nfs/dbraw/zinc/03/23/31/355032331.db2.gz FLKHCQQQHQNMDF-INIZCTEOSA-N 1 0 319.449 2.500 10 0 DEAERO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000358597027 540097107 /nfs/dbraw/zinc/09/71/07/540097107.db2.gz MOEPTFSLDHWROC-RHSMWYFYSA-N 1 0 313.486 2.347 10 0 DEAERO CC(C)[C@H](CNC(=O)N1C[C@H](C)CC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000073595940 191329879 /nfs/dbraw/zinc/32/98/79/191329879.db2.gz SOBUKNBSWJFJLS-ZACQAIPSSA-N 1 0 324.513 2.088 10 0 DEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccc(Br)o1 ZINC000384259553 540125116 /nfs/dbraw/zinc/12/51/16/540125116.db2.gz PABDXWJTFZATTL-GXSJLCMTSA-N 1 0 315.211 2.389 10 0 DEAERO CCN(C[C@@H]1CCCO1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074791659 191362120 /nfs/dbraw/zinc/36/21/20/191362120.db2.gz FEBZBBHBUIGPKM-UYTSQGDYSA-N 1 0 309.454 2.212 10 0 DEAERO [NH3+]C1(CC(=O)NCc2cc(F)ccc2Br)CC1 ZINC000398089803 540140667 /nfs/dbraw/zinc/14/06/67/540140667.db2.gz XDBPWCBLMQZCPD-UHFFFAOYSA-N 1 0 301.159 2.086 10 0 DEAERO Cc1c(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)oc2c1C(=O)CCC2 ZINC000093988771 355690781 /nfs/dbraw/zinc/69/07/81/355690781.db2.gz DRAONSMHVGHOJF-NEPJUHHUSA-N 1 0 304.390 2.320 10 0 DEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@](C)(O)CCC(C)C ZINC000077807969 191778421 /nfs/dbraw/zinc/77/84/21/191778421.db2.gz DOUAJUFVGYPWDS-GDBMZVCRSA-N 1 0 301.475 2.203 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2c1cccc2C ZINC000111865114 355751232 /nfs/dbraw/zinc/75/12/32/355751232.db2.gz XCINHWROYQLGEE-OAHLLOKOSA-N 1 0 317.433 2.178 10 0 DEAERO C[C@@H]([NH2+]CCC(=O)NC(=O)NCc1ccccc1)C(C)(C)C ZINC000114473831 355763181 /nfs/dbraw/zinc/76/31/81/355763181.db2.gz AWOGIPKWJUFKAP-CYBMUJFWSA-N 1 0 305.422 2.427 10 0 DEAERO Cc1cccc(CNC(=O)NCCC[NH+]2CCC(C)CC2)n1 ZINC000123837866 355806784 /nfs/dbraw/zinc/80/67/84/355806784.db2.gz DSXIFECTLWQXKJ-UHFFFAOYSA-N 1 0 304.438 2.311 10 0 DEAERO C[C@@H](NC(=O)CCc1ccnn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000131711852 355848342 /nfs/dbraw/zinc/84/83/42/355848342.db2.gz RWCQYVHITCUTQP-CABCVRRESA-N 1 0 318.465 2.122 10 0 DEAERO COc1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000170826817 355994460 /nfs/dbraw/zinc/99/44/60/355994460.db2.gz NWXKEIZYUVVVIE-AAEUAGOBSA-N 1 0 309.385 2.241 10 0 DEAERO COc1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000170826818 355994600 /nfs/dbraw/zinc/99/46/00/355994600.db2.gz NWXKEIZYUVVVIE-YPMHNXCESA-N 1 0 309.385 2.241 10 0 DEAERO Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000156762796 355953493 /nfs/dbraw/zinc/95/34/93/355953493.db2.gz UWZXDRYJKDQFKL-IUODEOHRSA-N 1 0 324.469 2.498 10 0 DEAERO C[C@@]1(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000079511565 191946030 /nfs/dbraw/zinc/94/60/30/191946030.db2.gz LKQQXBZNVVJQKY-INIZCTEOSA-N 1 0 307.825 2.131 10 0 DEAERO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000179948425 356038697 /nfs/dbraw/zinc/03/86/97/356038697.db2.gz IREAILPCEYIMAP-GHMZBOCLSA-N 1 0 303.399 2.166 10 0 DEAERO C[C@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000179268603 356019039 /nfs/dbraw/zinc/01/90/39/356019039.db2.gz JAFDVVBDOASQCD-HNNXBMFYSA-N 1 0 316.445 2.224 10 0 DEAERO CC(C)C[C@H](C)NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000182034399 356106232 /nfs/dbraw/zinc/10/62/32/356106232.db2.gz JIDKCFNAGYFIGB-LSDHHAIUSA-N 1 0 313.486 2.155 10 0 DEAERO CCC(CC)CNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181798749 356095825 /nfs/dbraw/zinc/09/58/25/356095825.db2.gz JINRNEMSSRESNM-CQSZACIVSA-N 1 0 313.486 2.157 10 0 DEAERO CC(C)(C[NH2+][C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2)NS(C)(=O)=O ZINC000080143074 192005009 /nfs/dbraw/zinc/00/50/09/192005009.db2.gz BBDWAQUPWBNAIN-YWPYICTPSA-N 1 0 302.484 2.119 10 0 DEAERO CN1CCN(C(=O)C[NH2+][C@H]2c3ccccc3CCC2(C)C)CC1 ZINC000183201870 356163920 /nfs/dbraw/zinc/16/39/20/356163920.db2.gz QAXXXWVUBWXMBA-SFHVURJKSA-N 1 0 315.461 2.064 10 0 DEAERO NC(=S)C[N@H+](CC(=O)Nc1ccccc1F)C1CCCC1 ZINC000080222463 192013290 /nfs/dbraw/zinc/01/32/90/192013290.db2.gz XWUWITVLOZDGFK-UHFFFAOYSA-N 1 0 309.410 2.295 10 0 DEAERO CCN(CC)C(=O)C[C@H](C)[NH2+]CCCc1c(C)nn(C)c1C ZINC000183493276 356174136 /nfs/dbraw/zinc/17/41/36/356174136.db2.gz QPDLVBYIYJMUKL-ZDUSSCGKSA-N 1 0 308.470 2.206 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c(=O)c2ccccc12 ZINC000189712849 356215998 /nfs/dbraw/zinc/21/59/98/356215998.db2.gz WKVDXVKLDJOTEO-CYBMUJFWSA-N 1 0 313.401 2.132 10 0 DEAERO Cc1nc(C)c(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)s1 ZINC000080693673 192182044 /nfs/dbraw/zinc/18/20/44/192182044.db2.gz ANTULUBYNCFNOC-CYBMUJFWSA-N 1 0 303.435 2.309 10 0 DEAERO CC[C@H](C)[NH+]1CCN(C[C@H](C(N)=S)c2ccccc2)CC1 ZINC000080797686 192191908 /nfs/dbraw/zinc/19/19/08/192191908.db2.gz FTZHULBHXQHDCN-HOCLYGCPSA-N 1 0 305.491 2.472 10 0 DEAERO C[C@@H]([NH3+])c1csc(N2CCN(Cc3ccccc3)CC2)n1 ZINC000080807824 192192782 /nfs/dbraw/zinc/19/27/82/192192782.db2.gz SNFFHNLWFSNUJJ-CYBMUJFWSA-N 1 0 302.447 2.485 10 0 DEAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1ccncc1Cl ZINC000227721056 356280272 /nfs/dbraw/zinc/28/02/72/356280272.db2.gz BBZXTNBBYDFTPM-OAHLLOKOSA-N 1 0 301.777 2.433 10 0 DEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)C1 ZINC000227794294 356280298 /nfs/dbraw/zinc/28/02/98/356280298.db2.gz GSJXMEUAEPZIJT-MCIONIFRSA-N 1 0 308.447 2.383 10 0 DEAERO CC(=O)N(C)c1cccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000237119092 356294462 /nfs/dbraw/zinc/29/44/62/356294462.db2.gz CHGJTLXXLJYXBJ-GOSISDBHSA-N 1 0 323.396 2.495 10 0 DEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(Sc2nc[nH]n2)cc1 ZINC000085364348 192495003 /nfs/dbraw/zinc/49/50/03/192495003.db2.gz HZZMEWFNOOKTCW-VXGBXAGGSA-N 1 0 303.391 2.022 10 0 DEAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)C1 ZINC000080915128 192201755 /nfs/dbraw/zinc/20/17/55/192201755.db2.gz CBSNSEAGIMGTKE-VFZGTOFNSA-N 1 0 309.797 2.285 10 0 DEAERO C[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400697221 283158123 /nfs/dbraw/zinc/15/81/23/283158123.db2.gz BFLCZLMMUIBKIO-NWANDNLSSA-N 1 0 312.454 2.383 10 0 DEAERO C[C@H]([NH2+]CCc1cnn(C)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400328241 283155788 /nfs/dbraw/zinc/15/57/88/283155788.db2.gz CCMKKWFVLPLODB-DZGCQCFKSA-N 1 0 322.453 2.198 10 0 DEAERO CCn1cnnc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400469319 283157276 /nfs/dbraw/zinc/15/72/76/283157276.db2.gz XEVPYIZFGXOIQA-CHWSQXEVSA-N 1 0 323.441 2.033 10 0 DEAERO CC(C)(C)OCC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000308511314 356410270 /nfs/dbraw/zinc/41/02/70/356410270.db2.gz ICHXSZSWDLGLKJ-GFCCVEGCSA-N 1 0 301.814 2.484 10 0 DEAERO CN1CC[NH+]=C1Nc1cccc(I)c1 ZINC000306715293 356405478 /nfs/dbraw/zinc/40/54/78/356405478.db2.gz YRJGMCZBSFMDOK-UHFFFAOYSA-N 1 0 301.131 2.005 10 0 DEAERO Clc1snnc1CN(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328605223 356459673 /nfs/dbraw/zinc/45/96/73/356459673.db2.gz MNXGGFWWLGSCON-LBPRGKRZSA-N 1 0 323.853 2.198 10 0 DEAERO C[N@H+](CC1CC1)C[C@H]1CN(Cc2cccc3c[nH]nc32)CCO1 ZINC000328648043 356466011 /nfs/dbraw/zinc/46/60/11/356466011.db2.gz UICZDCJTDFRSBL-KRWDZBQOSA-N 1 0 314.433 2.106 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCn2cnnc2C1 ZINC000081530471 192284709 /nfs/dbraw/zinc/28/47/09/192284709.db2.gz JLEADOIOMFUNCH-DZGCQCFKSA-N 1 0 305.813 2.226 10 0 DEAERO CCC[C@H]([NH3+])[C@H](CC)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533668 192285225 /nfs/dbraw/zinc/28/52/25/192285225.db2.gz BIKGKCJMZDOCOB-UWVGGRQHSA-N 1 0 305.348 2.019 10 0 DEAERO CCC[N@H+](C)C[C@@H]1CCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000081568182 192292493 /nfs/dbraw/zinc/29/24/93/192292493.db2.gz JYPIWBGCVRWWBG-INIZCTEOSA-N 1 0 313.449 2.431 10 0 DEAERO COCC[C@@H](C)[NH2+]Cc1ccc(I)o1 ZINC000081709392 192316275 /nfs/dbraw/zinc/31/62/75/192316275.db2.gz QGTXIVNTFVCBNE-MRVPVSSYSA-N 1 0 309.147 2.399 10 0 DEAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000236906199 202062986 /nfs/dbraw/zinc/06/29/86/202062986.db2.gz ZZZWFAFWBZRVET-HUUCEWRRSA-N 1 0 306.406 2.495 10 0 DEAERO CCc1cnc(CCNC(=O)C[C@@H]([NH3+])c2ccccc2)s1 ZINC000237008730 202119872 /nfs/dbraw/zinc/11/98/72/202119872.db2.gz NVINMVAESAXJOU-CQSZACIVSA-N 1 0 303.431 2.454 10 0 DEAERO COC(=O)[C@]1(NCC(C)C)CCC[N@H+](Cc2ccccc2)C1 ZINC000381831268 356673179 /nfs/dbraw/zinc/67/31/79/356673179.db2.gz NUKVSYXCPBDFCG-SFHVURJKSA-N 1 0 304.434 2.440 10 0 DEAERO [NH3+]Cc1ccc(CNC(=O)c2coc(Br)c2)cc1 ZINC000385973188 356693574 /nfs/dbraw/zinc/69/35/74/356693574.db2.gz MTJVGJQZLJRAGD-UHFFFAOYSA-N 1 0 309.163 2.431 10 0 DEAERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000400165425 356722499 /nfs/dbraw/zinc/72/24/99/356722499.db2.gz IWYUHCWUEWQWLB-UONOGXRCSA-N 1 0 302.484 2.359 10 0 DEAERO c1nc(NCCc2cnc(C3CC3)nc2)cc(N2CCCC2)n1 ZINC000578110366 356762338 /nfs/dbraw/zinc/76/23/38/356762338.db2.gz JYFSEJHPMSGOTL-UHFFFAOYSA-N 1 0 310.405 2.399 10 0 DEAERO CCOCC[C@H](O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000578875893 356885809 /nfs/dbraw/zinc/88/58/09/356885809.db2.gz BYHPZAKIBIHVHM-CABCVRRESA-N 1 0 315.454 2.218 10 0 DEAERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000579785306 357029117 /nfs/dbraw/zinc/02/91/17/357029117.db2.gz VBZWMBJUTQUFDO-QLFBSQMISA-N 1 0 318.417 2.206 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2CCCCCC2)cs1 ZINC000088913265 192654570 /nfs/dbraw/zinc/65/45/70/192654570.db2.gz XYBKSUITAGPELI-UHFFFAOYSA-N 1 0 302.465 2.422 10 0 DEAERO CC(C)N(Cc1ccccc1)S(=O)(=O)c1c[nH]c(C[NH3+])c1 ZINC000088915027 192656995 /nfs/dbraw/zinc/65/69/95/192656995.db2.gz KXAUWKAJALGJPP-UHFFFAOYSA-N 1 0 307.419 2.073 10 0 DEAERO CCCCN(CCCC)S(=O)(=O)N1CCCC[C@H]1C[NH2+]C ZINC000088938090 192660684 /nfs/dbraw/zinc/66/06/84/192660684.db2.gz VNMHGAPRHDXERZ-HNNXBMFYSA-N 1 0 319.515 2.207 10 0 DEAERO C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)C[C@H]1CC=CCC1 ZINC000581659588 357224588 /nfs/dbraw/zinc/22/45/88/357224588.db2.gz OXBOZZPVZNZRQF-AWEZNQCLSA-N 1 0 307.438 2.433 10 0 DEAERO CC[C@H]1CCCCN1S(=O)(=O)c1ccc(CC[NH2+]C)cc1 ZINC000088942418 192662440 /nfs/dbraw/zinc/66/24/40/192662440.db2.gz FVVYKHGCYVKWTA-HNNXBMFYSA-N 1 0 310.463 2.402 10 0 DEAERO CCC[NH2+]CCCS(=O)(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000088970885 192674474 /nfs/dbraw/zinc/67/44/74/192674474.db2.gz PENNGKMCIOSCIJ-GJZGRUSLSA-N 1 0 302.484 2.361 10 0 DEAERO CC[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(C[NH2+]C)c1 ZINC000088973208 192675431 /nfs/dbraw/zinc/67/54/31/192675431.db2.gz PRNHRELZKJMPIG-GFCCVEGCSA-N 1 0 300.399 2.108 10 0 DEAERO CCC[NH2+]Cc1cc(S(=O)(=O)N(C)[C@@H](C)CCC)cn1C ZINC000088964509 192672438 /nfs/dbraw/zinc/67/24/38/192672438.db2.gz JTCKCPUSDFQRAJ-ZDUSSCGKSA-N 1 0 315.483 2.334 10 0 DEAERO C[NH2+]CCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000088975136 192677521 /nfs/dbraw/zinc/67/75/21/192677521.db2.gz FQWUHDXAVSHWNF-UHFFFAOYSA-N 1 0 310.463 2.450 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)NC2CCCCC2)cn1C(C)C ZINC000088974796 192678108 /nfs/dbraw/zinc/67/81/08/192678108.db2.gz YHUBZASYZVXFCH-UHFFFAOYSA-N 1 0 313.467 2.399 10 0 DEAERO CCCCN(C1CC1)S(=O)(=O)c1ccc(CC[NH2+]C)s1 ZINC000088995374 192686707 /nfs/dbraw/zinc/68/67/07/192686707.db2.gz JDQLKPLCDCSHMW-UHFFFAOYSA-N 1 0 316.492 2.463 10 0 DEAERO Cn1ccc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1=O ZINC000590819428 357620292 /nfs/dbraw/zinc/62/02/92/357620292.db2.gz CTSSXJPLMNAIGZ-GOSISDBHSA-N 1 0 317.477 2.473 10 0 DEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)COCc1ccccc1 ZINC000179283458 199009682 /nfs/dbraw/zinc/00/96/82/199009682.db2.gz GFEISDUORQFBGC-QRVBRYPASA-N 1 0 318.461 2.123 10 0 DEAERO COCc1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000179224968 199001151 /nfs/dbraw/zinc/00/11/51/199001151.db2.gz WTMODYQTZRESRL-KRWDZBQOSA-N 1 0 300.406 2.337 10 0 DEAERO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2c(F)cccc2F)CC1 ZINC000179517830 199049170 /nfs/dbraw/zinc/04/91/70/199049170.db2.gz VAHWNKDXSAXMHR-CYBMUJFWSA-N 1 0 312.404 2.489 10 0 DEAERO C[NH+](C)C[C@@H]1CN(CCOc2ccc(F)cc2Cl)CCO1 ZINC000179609540 199063329 /nfs/dbraw/zinc/06/33/29/199063329.db2.gz LZLLBTNFUYXOLL-CYBMUJFWSA-N 1 0 316.804 2.120 10 0 DEAERO CC(C)[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H](C)O ZINC000592976815 357981063 /nfs/dbraw/zinc/98/10/63/357981063.db2.gz WILAOBPRZIXIJK-IILDEKEXSA-N 1 0 308.466 2.163 10 0 DEAERO Cc1cccc(CSCC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000594451980 358275871 /nfs/dbraw/zinc/27/58/71/358275871.db2.gz VTUQYWQVCMACLV-NSHDSACASA-N 1 0 306.353 2.234 10 0 DEAERO COc1cccc(C[C@@H]([NH2+][C@@H]2CCc3ncnn3C2)C2CC2)c1 ZINC000180589696 199180399 /nfs/dbraw/zinc/18/03/99/199180399.db2.gz WQZIWALQHFCKJE-NVXWUHKLSA-N 1 0 312.417 2.212 10 0 DEAERO CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(Cl)cn2)CC1 ZINC000180840696 199216801 /nfs/dbraw/zinc/21/68/01/199216801.db2.gz NFWYZJRQMMEQAZ-UHFFFAOYSA-N 1 0 310.829 2.407 10 0 DEAERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)CSCCF)[C@@H]2C1 ZINC000595050633 358383945 /nfs/dbraw/zinc/38/39/45/358383945.db2.gz MLIAOZXBVRRWCA-BEAPCOKYSA-N 1 0 302.459 2.314 10 0 DEAERO C[C@@H](CCCc1ccccc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000180862637 199219707 /nfs/dbraw/zinc/21/97/07/199219707.db2.gz ZIYRQXBQVRNSHE-FUHWJXTLSA-N 1 0 318.461 2.434 10 0 DEAERO CCn1c(CC[NH3+])nnc1Sc1nc(CC(C)C)ns1 ZINC000185516519 199862394 /nfs/dbraw/zinc/86/23/94/199862394.db2.gz VKYLAJOLRQRPEW-UHFFFAOYSA-N 1 0 312.468 2.000 10 0 DEAERO CC[NH2+]Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000089014484 192697868 /nfs/dbraw/zinc/69/78/68/192697868.db2.gz LIELITNJELQSGM-OAHLLOKOSA-N 1 0 310.463 2.490 10 0 DEAERO C[NH2+]CCc1ccc(S(=O)(=O)N(C)CC(C)(C)C)s1 ZINC000089013723 192698906 /nfs/dbraw/zinc/69/89/06/192698906.db2.gz WIUFULONBBXBFN-UHFFFAOYSA-N 1 0 304.481 2.177 10 0 DEAERO CN(c1ccccc1F)S(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000089021187 192699485 /nfs/dbraw/zinc/69/94/85/192699485.db2.gz PSBPIXAEHIFISL-UHFFFAOYSA-N 1 0 312.341 2.249 10 0 DEAERO CCc1nn(CC)c(C[C@H]([NH3+])[C@H]2CCOC2)c1Br ZINC000089361014 192773213 /nfs/dbraw/zinc/77/32/13/192773213.db2.gz PWXCPFHOPVYIOH-UWVGGRQHSA-N 1 0 316.243 2.134 10 0 DEAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)COc1ccccc1C(C)(C)C ZINC000186738248 200001146 /nfs/dbraw/zinc/00/11/46/200001146.db2.gz RXFVIGIVPBXMAL-DZGCQCFKSA-N 1 0 304.434 2.477 10 0 DEAERO Cc1csc([C@H](C)CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000186785310 200010321 /nfs/dbraw/zinc/01/03/21/200010321.db2.gz RGMYIFRQKVOPQN-XBFCOCLRSA-N 1 0 322.478 2.433 10 0 DEAERO CC(C)[C@H](NC(=O)C[N@H+](C)CC1(CO)CC1)c1ccc(F)cc1 ZINC000186807475 200014083 /nfs/dbraw/zinc/01/40/83/200014083.db2.gz UOISEQOAMCBZHG-KRWDZBQOSA-N 1 0 322.424 2.343 10 0 DEAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000186819320 200015784 /nfs/dbraw/zinc/01/57/84/200015784.db2.gz MWJSSHCQDDDISN-NHYWBVRUSA-N 1 0 318.808 2.254 10 0 DEAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cncc(F)c1 ZINC000089732202 192852091 /nfs/dbraw/zinc/85/20/91/192852091.db2.gz 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DEAERO CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)[C@@H]([NH3+])CCSC ZINC000262125847 203206599 /nfs/dbraw/zinc/20/65/99/203206599.db2.gz LJQWSGZKHLTNTA-SWHYSGLUSA-N 1 0 314.426 2.098 10 0 DEAERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000262175237 203219755 /nfs/dbraw/zinc/21/97/55/203219755.db2.gz KNNAJOHOOOXXLK-XKQJLSEDSA-N 1 0 302.418 2.320 10 0 DEAERO Cc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)cc1C ZINC000262314374 203258538 /nfs/dbraw/zinc/25/85/38/203258538.db2.gz BAPJWLZMJOGJGT-UHFFFAOYSA-N 1 0 313.405 2.151 10 0 DEAERO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2coc(Br)c2)C1 ZINC000262321620 203260506 /nfs/dbraw/zinc/26/05/06/203260506.db2.gz RQGMBJCGPOITDA-BDAKNGLRSA-N 1 0 301.184 2.242 10 0 DEAERO CS(=O)(=O)CCC[C@H](C[NH3+])c1ccccc1Br ZINC000093181530 193212277 /nfs/dbraw/zinc/21/22/77/193212277.db2.gz OJZUNTUZSKIZKJ-SNVBAGLBSA-N 1 0 320.252 2.316 10 0 DEAERO O=C(C1CC[NH2+]CC1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000262454082 203298895 /nfs/dbraw/zinc/29/88/95/203298895.db2.gz GZWUZAGRTNPMMN-KBPBESRZSA-N 1 0 308.447 2.162 10 0 DEAERO O=C([C@H]1CSCCS1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107531321 296143642 /nfs/dbraw/zinc/14/36/42/296143642.db2.gz FBMPDXFDVQMOBE-UONOGXRCSA-N 1 0 314.520 2.312 10 0 DEAERO CCn1nc(C)c(Br)c1CO[C@H]1CC[C@@H]([NH3+])C1 ZINC000093216633 193217644 /nfs/dbraw/zinc/21/76/44/193217644.db2.gz ABKJYIDCQWXPEC-ZJUUUORDSA-N 1 0 302.216 2.370 10 0 DEAERO CCCNS(=O)(=O)c1ccc(O[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093219983 193218449 /nfs/dbraw/zinc/21/84/49/193218449.db2.gz LUIWWYRHTYWYCH-TZMCWYRMSA-N 1 0 312.435 2.024 10 0 DEAERO CCC(CC)N(CC(C)C)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000093326117 193233200 /nfs/dbraw/zinc/23/32/00/193233200.db2.gz NFEKXYHZXPSHBB-CQSZACIVSA-N 1 0 304.500 2.462 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ncc(N)cc1Br ZINC000093433336 193250252 /nfs/dbraw/zinc/25/02/52/193250252.db2.gz YOJRHZSDSFIBIQ-NSHDSACASA-N 1 0 313.243 2.347 10 0 DEAERO CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1CC(C)(C)S(C)(=O)=O ZINC000093525684 193263694 /nfs/dbraw/zinc/26/36/94/193263694.db2.gz JPPPILUVWJRLMP-AWEZNQCLSA-N 1 0 316.511 2.052 10 0 DEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCO[C@H]1CCCCO1 ZINC000249722550 284167234 /nfs/dbraw/zinc/16/72/34/284167234.db2.gz ALIBBHDMYQWVSZ-FZKCQIBNSA-N 1 0 311.422 2.336 10 0 DEAERO COC(=O)[C@@]1([NH3+])CCC[C@@H]1CCN(CC(F)(F)F)C1CC1 ZINC000093589898 193270869 /nfs/dbraw/zinc/27/08/69/193270869.db2.gz QMSLZQZAVZUQLA-ZWNOBZJWSA-N 1 0 308.344 2.074 10 0 DEAERO Cc1c(Cl)cnn1CC[C@@H]1CCC[C@]1([NH2+]C1CC1)C(N)=O ZINC000093616120 193275331 /nfs/dbraw/zinc/27/53/31/193275331.db2.gz ZTSCDCBLUBRYJA-XHDPSFHLSA-N 1 0 310.829 2.011 10 0 DEAERO NC(=O)[C@]1([NH2+]C2CC2)CCC[C@H]1CCSC1CCOCC1 ZINC000093630589 193277657 /nfs/dbraw/zinc/27/76/57/193277657.db2.gz LYOVIBYZHRKIQF-LRDDRELGSA-N 1 0 312.479 2.065 10 0 DEAERO CCc1nn(CC)c(C[C@H]([NH3+])[C@H](C)OC)c1Br ZINC000093689990 193289612 /nfs/dbraw/zinc/28/96/12/193289612.db2.gz UYFUOPDUXNLHDJ-IUCAKERBSA-N 1 0 304.232 2.133 10 0 DEAERO CCc1nn(CC)c(C[C@H]([NH3+])[C@@H](C)OC)c1Br ZINC000093689988 193289624 /nfs/dbraw/zinc/28/96/24/193289624.db2.gz UYFUOPDUXNLHDJ-BDAKNGLRSA-N 1 0 304.232 2.133 10 0 DEAERO CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@@H]1C ZINC000093697063 193292066 /nfs/dbraw/zinc/29/20/66/193292066.db2.gz QFYGJDSJTIGNQB-BARDWOONSA-N 1 0 302.484 2.072 10 0 DEAERO CC[NH2+][C@@H](CSC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700460 193293918 /nfs/dbraw/zinc/29/39/18/193293918.db2.gz BNXRRXILOYOGCB-ZIAGYGMSSA-N 1 0 322.540 2.168 10 0 DEAERO C[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccs1 ZINC000093699806 193293937 /nfs/dbraw/zinc/29/39/37/193293937.db2.gz DOSPBDYYGVASHS-NWDGAFQWSA-N 1 0 302.465 2.070 10 0 DEAERO C[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCC(C)CC1 ZINC000093700184 193294328 /nfs/dbraw/zinc/29/43/28/193294328.db2.gz WJXTUQYOKLIVAT-GRAKBVBRSA-N 1 0 316.511 2.462 10 0 DEAERO CC[C@](C)(C[NH2+]C(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701551 193294649 /nfs/dbraw/zinc/29/46/49/193294649.db2.gz NXTGNPSVIWXEEA-GJZGRUSLSA-N 1 0 304.500 2.462 10 0 DEAERO C[NH2+][C@]1(C(=O)[O-])CCC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093756685 193301995 /nfs/dbraw/zinc/30/19/95/193301995.db2.gz YVBWDUQUQAJBID-WCQYABFASA-N 1 0 308.344 2.246 10 0 DEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2nnc(C)s2)C1 ZINC000093778389 193306495 /nfs/dbraw/zinc/30/64/95/193306495.db2.gz YSAUQEUHGBBYQZ-GWCFXTLKSA-N 1 0 314.480 2.105 10 0 DEAERO OC[C@]1([NH2+]C2CC2)CCC[C@H](n2cc(Br)cn2)C1 ZINC000093784224 193307955 /nfs/dbraw/zinc/30/79/55/193307955.db2.gz URDUFJAIPPMPKA-STQMWFEESA-N 1 0 314.227 2.244 10 0 DEAERO C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cccnc2)CCN1C ZINC000093644139 193281669 /nfs/dbraw/zinc/28/16/69/193281669.db2.gz VSMMUDPISLVJDK-PBHICJAKSA-N 1 0 313.449 2.397 10 0 DEAERO COc1c(C)cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1C ZINC000093664358 193286085 /nfs/dbraw/zinc/28/60/85/193286085.db2.gz IPDMYNMNTJXXIS-QGZVFWFLSA-N 1 0 318.461 2.466 10 0 DEAERO CC[NH2+][C@@]1(CO)CC[C@@H](n2nc(C)c(Br)c2C)C1 ZINC000093857658 193319312 /nfs/dbraw/zinc/31/93/12/193319312.db2.gz SPGSOFLYYJLLQI-YPMHNXCESA-N 1 0 316.243 2.328 10 0 DEAERO CCOc1ccc2[nH]c(S[C@@H]3CC[C@@]([NH3+])(CO)C3)nc2c1 ZINC000093860981 193320177 /nfs/dbraw/zinc/32/01/77/193320177.db2.gz MLVAXRJNIDCAHM-ABAIWWIYSA-N 1 0 307.419 2.296 10 0 DEAERO CCC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@@H]1CN(C)CCN1C ZINC000093895947 193324800 /nfs/dbraw/zinc/32/48/00/193324800.db2.gz QCMUFFBXXROKTG-IRXDYDNUSA-N 1 0 309.885 2.497 10 0 DEAERO CCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CN(C)CCN1C ZINC000093895864 193324981 /nfs/dbraw/zinc/32/49/81/193324981.db2.gz WCZXVTQCXRCCQW-SJORKVTESA-N 1 0 309.885 2.497 10 0 DEAERO C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)[C@H]1CN(C)CCN1C ZINC000093894382 193325404 /nfs/dbraw/zinc/32/54/04/193325404.db2.gz TUTNGVHBTVLJPB-KGLIPLIRSA-N 1 0 301.356 2.212 10 0 DEAERO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1cccc(Cl)c1F ZINC000094023727 193339185 /nfs/dbraw/zinc/33/91/85/193339185.db2.gz QADYYRFGMIBPBO-UHFFFAOYSA-N 1 0 320.817 2.099 10 0 DEAERO CC(C)N(CC1CC[NH2+]CC1)S(=O)(=O)c1ccccc1F ZINC000094024070 193339194 /nfs/dbraw/zinc/33/91/94/193339194.db2.gz KHUHKRNUZFDKQZ-UHFFFAOYSA-N 1 0 314.426 2.224 10 0 DEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1cc(F)ccc1C ZINC000094023913 193339444 /nfs/dbraw/zinc/33/94/44/193339444.db2.gz BKIIUNOPESBUAX-UHFFFAOYSA-N 1 0 314.426 2.144 10 0 DEAERO Cc1ccc(S(=O)(=O)N(CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000094024193 193339461 /nfs/dbraw/zinc/33/94/61/193339461.db2.gz WLIOXYRPXASSGR-UHFFFAOYSA-N 1 0 308.447 2.148 10 0 DEAERO CCC[NH2+]Cc1c(Cl)cccc1N(C)CCS(C)(=O)=O ZINC000094299196 193357479 /nfs/dbraw/zinc/35/74/79/193357479.db2.gz RFMPEBVNYXSEPK-UHFFFAOYSA-N 1 0 318.870 2.320 10 0 DEAERO CC[NH2+][C@H]1[C@@H](N2CCN(CC(F)(F)F)CC2)CCC1(C)C ZINC000094305755 193358449 /nfs/dbraw/zinc/35/84/49/193358449.db2.gz ZRYWFGKHZXBKNF-STQMWFEESA-N 1 0 307.404 2.333 10 0 DEAERO CC1(C)CCCC[C@@H]1NS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000094330107 193359334 /nfs/dbraw/zinc/35/93/34/193359334.db2.gz BSLSQNSNLXRCJQ-KGLIPLIRSA-N 1 0 302.484 2.407 10 0 DEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CCCC2(C)C)o1 ZINC000094332923 193359372 /nfs/dbraw/zinc/35/93/72/193359372.db2.gz RPKXHVSJUONAIK-GFCCVEGCSA-N 1 0 300.424 2.246 10 0 DEAERO C[NH+](C)CCCNc1nc(C(F)(F)F)ccc1C(N)=S ZINC000094335879 193360271 /nfs/dbraw/zinc/36/02/71/193360271.db2.gz WOZHBICNQCQHRH-UHFFFAOYSA-N 1 0 306.357 2.098 10 0 DEAERO C[C@@H]1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000094340768 193361777 /nfs/dbraw/zinc/36/17/77/193361777.db2.gz QVELPETZVOISQW-JWILCIIWSA-N 1 0 314.838 2.310 10 0 DEAERO CCC[C@H](C)NC(=O)COc1c(F)cc(CC[NH3+])cc1F ZINC000094349929 193363546 /nfs/dbraw/zinc/36/35/46/193363546.db2.gz HUUOWORAUYHGHM-JTQLQIEISA-N 1 0 300.349 2.150 10 0 DEAERO CCCN(CC1CC[NH2+]CC1)c1ccccc1S(C)(=O)=O ZINC000094043802 193340927 /nfs/dbraw/zinc/34/09/27/193340927.db2.gz RVHZLBAZKRLJSG-UHFFFAOYSA-N 1 0 310.463 2.306 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(C)c(Br)cn1 ZINC000094063555 193342478 /nfs/dbraw/zinc/34/24/78/193342478.db2.gz XOLNSWIJPWRNDS-VIFPVBQESA-N 1 0 300.200 2.337 10 0 DEAERO C[C@@]1(c2nc(-c3ncc(Cl)cc3Cl)no2)COC[C@H]1[NH3+] ZINC000094199330 193348602 /nfs/dbraw/zinc/34/86/02/193348602.db2.gz HYMMURRUEZVWMM-PRHODGIISA-N 1 0 315.160 2.054 10 0 DEAERO CCC([NH3+])(CC)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000094244044 193354558 /nfs/dbraw/zinc/35/45/58/193354558.db2.gz IHDZEEOWSGMDCZ-UHFFFAOYSA-N 1 0 311.813 2.498 10 0 DEAERO CS(=O)(=O)[C@@H]1CCC[C@@H](OC2(C[NH3+])CCCCCC2)C1 ZINC000094634104 193385454 /nfs/dbraw/zinc/38/54/54/193385454.db2.gz HBZJCPDEYJXUNX-ZIAGYGMSSA-N 1 0 303.468 2.411 10 0 DEAERO COc1ccc([C@@H]([NH3+])CS(=O)(=O)c2cccc(F)c2)cc1 ZINC000094624790 193385487 /nfs/dbraw/zinc/38/54/87/193385487.db2.gz YERCPBGSVSHDSB-HNNXBMFYSA-N 1 0 309.362 2.308 10 0 DEAERO CCC[NH2+][C@H](CCCOC)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642442 193389162 /nfs/dbraw/zinc/38/91/62/193389162.db2.gz VSVWQJHVADYAQI-SOUVJXGZSA-N 1 0 305.484 2.385 10 0 DEAERO C[NH2+][C@H](C)c1c(C)nn([C@H]2CCC[C@H](S(C)(=O)=O)C2)c1C ZINC000094643986 193389845 /nfs/dbraw/zinc/38/98/45/193389845.db2.gz IMSHDHNJSMPGKM-SWHYSGLUSA-N 1 0 313.467 2.309 10 0 DEAERO CCC[NH2+]C1CCC(O)([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094645070 193389933 /nfs/dbraw/zinc/38/99/33/193389933.db2.gz VTCFIACQRBCXSU-JWMHWRSXSA-N 1 0 317.495 2.263 10 0 DEAERO CC(C)C[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000094697864 193391418 /nfs/dbraw/zinc/39/14/18/193391418.db2.gz BXTRZPFXGQSTQE-SNVBAGLBSA-N 1 0 307.419 2.290 10 0 DEAERO CCS(=O)(=O)c1ccc(NC(=O)[C@@H](C[NH3+])CC(C)C)cc1 ZINC000094697652 193391927 /nfs/dbraw/zinc/39/19/27/193391927.db2.gz NDLUSELVECGYGE-GFCCVEGCSA-N 1 0 312.435 2.040 10 0 DEAERO NC(=S)[C@@H]1CCC[N@@H+]1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094376085 193367246 /nfs/dbraw/zinc/36/72/46/193367246.db2.gz SEPMVETULHROHJ-NEPJUHHUSA-N 1 0 300.493 2.182 10 0 DEAERO CCOC(=O)C[C@]1([NH+]2CCN(C)CC2)CSCC(C)(C)C1 ZINC000094491546 193373267 /nfs/dbraw/zinc/37/32/67/193373267.db2.gz BYAJIIHJWUDNMD-MRXNPFEDSA-N 1 0 314.495 2.089 10 0 DEAERO CCC[NH2+][C@H]1CCCc2nc([C@H]3CN4CCN3CC4)sc21 ZINC000094511051 193375088 /nfs/dbraw/zinc/37/50/88/193375088.db2.gz NIBYVDAYDLLQQN-GXTWGEPZSA-N 1 0 306.479 2.192 10 0 DEAERO CCC[NH2+][C@H]1CCCc2nc([C@@H]3CN4CCN3CC4)sc21 ZINC000094511049 193375432 /nfs/dbraw/zinc/37/54/32/193375432.db2.gz NIBYVDAYDLLQQN-JSGCOSHPSA-N 1 0 306.479 2.192 10 0 DEAERO C[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000094550257 193378810 /nfs/dbraw/zinc/37/88/10/193378810.db2.gz XGXJSIUBBYSOKI-PSASIEDQSA-N 1 0 323.245 2.351 10 0 DEAERO Cc1cc(Br)ccc1NC(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094562989 193379778 /nfs/dbraw/zinc/37/97/78/193379778.db2.gz XUODSRCPPFWWTQ-ZYHUDNBSSA-N 1 0 313.195 2.202 10 0 DEAERO Cc1cc(NC(=O)[C@@H]2CC[C@@H](C[NH3+])O2)ccc1Br ZINC000094563226 193380281 /nfs/dbraw/zinc/38/02/81/193380281.db2.gz ZWBWZENEFOVDEA-JQWIXIFHSA-N 1 0 313.195 2.202 10 0 DEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)cc3cccnc32)O1 ZINC000094565802 193380780 /nfs/dbraw/zinc/38/07/80/193380780.db2.gz PVXJZHDCRJXBMW-YPMHNXCESA-N 1 0 305.765 2.333 10 0 DEAERO Brc1cccn2nc(N[C@@H]3CC[N@@H+](C4CC4)C3)nc12 ZINC000094604931 193384011 /nfs/dbraw/zinc/38/40/11/193384011.db2.gz YQPDDXZMLVNOON-SECBINFHSA-N 1 0 322.210 2.140 10 0 DEAERO Brc1cccn2nc(NCCC[NH2+]C3CC3)nc12 ZINC000094607432 193384366 /nfs/dbraw/zinc/38/43/66/193384366.db2.gz AHZDXDUWKSKBQX-UHFFFAOYSA-N 1 0 310.199 2.046 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1nc2c(Br)cccn2n1 ZINC000094608813 193384620 /nfs/dbraw/zinc/38/46/20/193384620.db2.gz RPRMOTUWLIDBMQ-SCZZXKLOSA-N 1 0 310.199 2.031 10 0 DEAERO C[C@@H]1CCCN(c2nc3c(Br)cccn3n2)[C@@H]1C[NH3+] ZINC000094608446 193384869 /nfs/dbraw/zinc/38/48/69/193384869.db2.gz PGEBMVVMQKJQEN-MWLCHTKSSA-N 1 0 324.226 2.055 10 0 DEAERO CCC1(CC)CCN(S(=O)(=O)c2ccc(CC[NH3+])cc2)C1 ZINC000094801010 193399265 /nfs/dbraw/zinc/39/92/65/193399265.db2.gz BUYAYCQQYOYUSX-UHFFFAOYSA-N 1 0 310.463 2.389 10 0 DEAERO Cc1sc2[nH]c(C[NH2+]C[C@]3(C)CCCO3)nc(=O)c2c1C ZINC000094801236 193399382 /nfs/dbraw/zinc/39/93/82/193399382.db2.gz KVIMHDAASVPVKS-HNNXBMFYSA-N 1 0 307.419 2.260 10 0 DEAERO COC1([C@H](C)[NH2+]CCOc2ncccc2Cl)CCOCC1 ZINC000453142495 244966487 /nfs/dbraw/zinc/96/64/87/244966487.db2.gz IEPCMNYTNKQYNZ-LBPRGKRZSA-N 1 0 314.813 2.288 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC000453429537 245135887 /nfs/dbraw/zinc/13/58/87/245135887.db2.gz IKAPJWWRKGZZNX-LXZKKBNFSA-N 1 0 302.418 2.369 10 0 DEAERO CCc1nn(C)c(C[C@@H]([NH3+])CC[C@@H](C)OC)c1Br ZINC000097240518 193696844 /nfs/dbraw/zinc/69/68/44/193696844.db2.gz SRHFXWUYWICJAE-ZJUUUORDSA-N 1 0 318.259 2.430 10 0 DEAERO CC[NH2+][C@@H](COC(C)C)Cc1c(Br)c(C)nn1C ZINC000097278961 193703421 /nfs/dbraw/zinc/70/34/21/193703421.db2.gz YHSDDDQKGXMEHJ-LLVKDONJSA-N 1 0 318.259 2.437 10 0 DEAERO C[NH2+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(OC)c1 ZINC000097302498 193705607 /nfs/dbraw/zinc/70/56/07/193705607.db2.gz ICBCDGZIZOFMGC-MFKMUULPSA-N 1 0 317.838 2.434 10 0 DEAERO O=C(NCc1nccn1-c1ccccc1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000282808900 217265605 /nfs/dbraw/zinc/26/56/05/217265605.db2.gz PCOWPSFZXKVGLZ-GOSISDBHSA-N 1 0 324.428 2.363 10 0 DEAERO CCCOc1ccc(C[NH2+]CCCN2CCOCC2)cc1OC ZINC000020968049 182256834 /nfs/dbraw/zinc/25/68/34/182256834.db2.gz VHACQAPIHOJEMG-UHFFFAOYSA-N 1 0 322.449 2.296 10 0 DEAERO C[C@H](C(=O)Nc1cccc(C(N)=S)c1)[NH+]1CCC(C)CC1 ZINC000021813145 182292833 /nfs/dbraw/zinc/29/28/33/182292833.db2.gz MQQNVJGQTIUYFZ-GFCCVEGCSA-N 1 0 305.447 2.380 10 0 DEAERO CS(=O)(=O)c1cccc(OCc2ccc(CC[NH3+])cc2)c1 ZINC000097810659 193759609 /nfs/dbraw/zinc/75/96/09/193759609.db2.gz PMEXMKRLSHXDTF-UHFFFAOYSA-N 1 0 305.399 2.170 10 0 DEAERO COCCC[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000034938157 182745255 /nfs/dbraw/zinc/74/52/55/182745255.db2.gz DYFHJYVPRFYSBO-UHFFFAOYSA-N 1 0 301.184 2.014 10 0 DEAERO CC[C@H]1CN([C@@H](C[NH3+])c2ccc(Br)o2)CCO1 ZINC000036769387 182842445 /nfs/dbraw/zinc/84/24/45/182842445.db2.gz IIIVTQIENQTQQJ-UWVGGRQHSA-N 1 0 303.200 2.153 10 0 DEAERO NC(=O)c1cc(NC(=O)c2ccc(C[NH3+])cc2)ccc1Cl ZINC000037027887 182862055 /nfs/dbraw/zinc/86/20/55/182862055.db2.gz LQXFUNHSODKXOB-UHFFFAOYSA-N 1 0 303.749 2.150 10 0 DEAERO COC(=O)C(C)(C)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000489941598 248856259 /nfs/dbraw/zinc/85/62/59/248856259.db2.gz VNJUXBRYCKXNSG-UHFFFAOYSA-N 1 0 313.401 2.308 10 0 DEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc3nc(SC)sc3c2)C1 ZINC000040632872 183111472 /nfs/dbraw/zinc/11/14/72/183111472.db2.gz DMRXGIXEPTWSJK-GXSJLCMTSA-N 1 0 323.443 2.334 10 0 DEAERO O=c1nc(N2CCC[NH2+]CC2)[nH]c2scc(-c3ccco3)c21 ZINC000040691077 183118783 /nfs/dbraw/zinc/11/87/83/183118783.db2.gz DUQANUOBXRNKEG-UHFFFAOYSA-N 1 0 316.386 2.044 10 0 DEAERO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2ccccc2SC)C1 ZINC000040599518 183108137 /nfs/dbraw/zinc/10/81/37/183108137.db2.gz FXQPGJDSRMVAGX-CYBMUJFWSA-N 1 0 307.463 2.278 10 0 DEAERO CN(CC(=O)Nc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746943 183128802 /nfs/dbraw/zinc/12/88/02/183128802.db2.gz MOXJOIAJUDMGLK-YIONKMFJSA-N 1 0 307.825 2.493 10 0 DEAERO CCCn1cc(Br)cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000041028214 183157487 /nfs/dbraw/zinc/15/74/87/183157487.db2.gz XMRUVIHMUWEBLW-LLVKDONJSA-N 1 0 314.227 2.224 10 0 DEAERO CCCN(CC[NH3+])S(=O)(=O)c1ccccc1C(F)(F)F ZINC000041160659 183179513 /nfs/dbraw/zinc/17/95/13/183179513.db2.gz BDWKYOQVTUSOOM-UHFFFAOYSA-N 1 0 310.341 2.065 10 0 DEAERO COc1ccc([C@@H](CNC(=O)c2cscn2)[NH+](C)C)cc1 ZINC000041499437 183194306 /nfs/dbraw/zinc/19/43/06/183194306.db2.gz IYFNYQOZCWKNBJ-CQSZACIVSA-N 1 0 305.403 2.184 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)CCc1ccc2c(c1)OCO2 ZINC000041915826 183225078 /nfs/dbraw/zinc/22/50/78/183225078.db2.gz AVPMUSYUMCXQAD-CYBMUJFWSA-N 1 0 306.406 2.194 10 0 DEAERO COC(=O)c1c2c(sc1NC(=O)C[C@H]1CCC[NH2+]1)CCC2 ZINC000042171645 183238254 /nfs/dbraw/zinc/23/82/54/183238254.db2.gz NPNBKFXDVSRUPK-SECBINFHSA-N 1 0 308.403 2.104 10 0 DEAERO CCC[NH2+]Cc1cccc(Br)c1OCC(=O)NC ZINC000042411800 183266107 /nfs/dbraw/zinc/26/61/07/183266107.db2.gz COHHREGEKASSGJ-UHFFFAOYSA-N 1 0 315.211 2.074 10 0 DEAERO C[NH2+]Cc1cccc(Br)c1O[C@@H]1CCC[C@H]1O ZINC000042411603 183266126 /nfs/dbraw/zinc/26/61/26/183266126.db2.gz WSGHFGJYIXXDLR-VXGBXAGGSA-N 1 0 300.196 2.461 10 0 DEAERO COC(=O)COc1c(Br)cccc1C[NH2+]C(C)C ZINC000042411918 183266174 /nfs/dbraw/zinc/26/61/74/183266174.db2.gz IPMJHHUGBHFMCC-UHFFFAOYSA-N 1 0 316.195 2.499 10 0 DEAERO Nc1cc(NC(=O)CCC[N@H+](CCO)C2CC2)ccc1Cl ZINC000042478404 183275566 /nfs/dbraw/zinc/27/55/66/183275566.db2.gz XLZLKYCERZKOSW-UHFFFAOYSA-N 1 0 311.813 2.098 10 0 DEAERO C[C@H](CNC(=O)c1cc(Br)cn1C)[NH+]1CCCC1 ZINC000042506249 183277741 /nfs/dbraw/zinc/27/77/41/183277741.db2.gz WUJJBPGOLRBUEV-SNVBAGLBSA-N 1 0 314.227 2.002 10 0 DEAERO NC(=S)CC[N@H+](CC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000042546517 183283216 /nfs/dbraw/zinc/28/32/16/183283216.db2.gz PMGWAMXDQYOCIH-UHFFFAOYSA-N 1 0 311.838 2.419 10 0 DEAERO COCCN([C@@H](C[NH3+])c1ccccc1Cl)[C@@H](C)COC ZINC000042603167 183290581 /nfs/dbraw/zinc/29/05/81/183290581.db2.gz YSNSIMYCUQRUFG-WFASDCNBSA-N 1 0 300.830 2.323 10 0 DEAERO C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000042609406 183290659 /nfs/dbraw/zinc/29/06/59/183290659.db2.gz VRMKSMSMLDORFY-XJKSGUPXSA-N 1 0 310.463 2.486 10 0 DEAERO CCN([C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2)[C@@H](C)COC ZINC000042743067 183304376 /nfs/dbraw/zinc/30/43/76/183304376.db2.gz VIUMHEQWSDOOLR-GWCFXTLKSA-N 1 0 314.813 2.425 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCC[C@@H]1CO ZINC000042954171 183321377 /nfs/dbraw/zinc/32/13/77/183321377.db2.gz TWZNSLWZAOXJAI-ZLKJLUDKSA-N 1 0 313.239 2.294 10 0 DEAERO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCCC[C@@H]1CO ZINC000042954128 183321449 /nfs/dbraw/zinc/32/14/49/183321449.db2.gz DQYIPGPJPYFZMO-ZIAGYGMSSA-N 1 0 313.239 2.296 10 0 DEAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC[C@@H]1C(=O)N(C)C ZINC000043014545 183327524 /nfs/dbraw/zinc/32/75/24/183327524.db2.gz WCXGXLMDUHLYAQ-NILFDRSVSA-N 1 0 309.841 2.281 10 0 DEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC[C@@H]1C(=O)NC ZINC000043015796 183327663 /nfs/dbraw/zinc/32/76/63/183327663.db2.gz PHPNBFVCNLXAIM-KFWWJZLASA-N 1 0 309.841 2.329 10 0 DEAERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC[C@@H]1C(=O)N(C)C ZINC000043014548 183327929 /nfs/dbraw/zinc/32/79/29/183327929.db2.gz WCXGXLMDUHLYAQ-KCPJHIHWSA-N 1 0 309.841 2.281 10 0 DEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCC[C@@H]1C(=O)N(C)C ZINC000043051531 183332568 /nfs/dbraw/zinc/33/25/68/183332568.db2.gz LGQYOMVDLCXDMW-DFBGVHRSSA-N 1 0 309.841 2.281 10 0 DEAERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)N(CC)[C@@H](C)COC)c1 ZINC000042782203 183308265 /nfs/dbraw/zinc/30/82/65/183308265.db2.gz QBFSHKVXJNMBOD-WFASDCNBSA-N 1 0 314.451 2.142 10 0 DEAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CCC[C@@H]1C(=O)N(C)C ZINC000043051532 183332999 /nfs/dbraw/zinc/33/29/99/183332999.db2.gz LGQYOMVDLCXDMW-NILFDRSVSA-N 1 0 309.841 2.281 10 0 DEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N(CCOC)CCOC ZINC000043240870 183345517 /nfs/dbraw/zinc/34/55/17/183345517.db2.gz GFXBZLYMIVUFCV-ZFWWWQNUSA-N 1 0 300.468 2.430 10 0 DEAERO CCCCN(CC(N)=O)[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043254159 183348190 /nfs/dbraw/zinc/34/81/90/183348190.db2.gz XDJPQTCHFTYUEF-NOZJJQNGSA-N 1 0 303.859 2.377 10 0 DEAERO COC(=O)CS[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000043284027 183350298 /nfs/dbraw/zinc/35/02/98/183350298.db2.gz WEUPUKNPYPOOHY-ZETCQYMHSA-N 1 0 310.238 2.417 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1nnnn1C1CCCC1)c1ccccn1 ZINC000043344513 183356483 /nfs/dbraw/zinc/35/64/83/183356483.db2.gz NVOSCJQVGOZTND-GWCFXTLKSA-N 1 0 304.423 2.364 10 0 DEAERO COCCCN(CCOC)[C@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390595 183357858 /nfs/dbraw/zinc/35/78/58/183357858.db2.gz XVIGTYQBZOIWNS-OAHLLOKOSA-N 1 0 318.820 2.464 10 0 DEAERO COCCN([C@@H](C[NH3+])c1ccc(Cl)c(F)c1)[C@@H](C)COC ZINC000043390621 183358746 /nfs/dbraw/zinc/35/87/46/183358746.db2.gz JONXTGJDLYLXKU-NHYWBVRUSA-N 1 0 318.820 2.462 10 0 DEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)CCO ZINC000043092349 183336059 /nfs/dbraw/zinc/33/60/59/183336059.db2.gz KOOFWOKNRLYBDR-STQMWFEESA-N 1 0 301.228 2.152 10 0 DEAERO C[NH2+]Cc1cc(Br)c(OCCCCO)c(OC)c1 ZINC000043445170 183364271 /nfs/dbraw/zinc/36/42/71/183364271.db2.gz BLIPIOCJQLSITQ-UHFFFAOYSA-N 1 0 318.211 2.328 10 0 DEAERO CC[C@@H]([NH3+])Cc1ccc(OCCS(=O)(=O)CC)c(Cl)c1 ZINC000043492477 183367442 /nfs/dbraw/zinc/36/74/42/183367442.db2.gz LBVHKPLNRCEOEK-GFCCVEGCSA-N 1 0 319.854 2.433 10 0 DEAERO CC[NH+](CC)CCNC(=O)N(C)CCc1ccccc1OC ZINC000105069337 194068580 /nfs/dbraw/zinc/06/85/80/194068580.db2.gz WEWLEJMGGVSOPK-UHFFFAOYSA-N 1 0 307.438 2.221 10 0 DEAERO C[C@@H](C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2)N1CCOCC1 ZINC000105416691 194103550 /nfs/dbraw/zinc/10/35/50/194103550.db2.gz AKDSSKSPGRXDFV-AWEZNQCLSA-N 1 0 304.434 2.210 10 0 DEAERO COCCN(CCC[NH3+])c1ncc(Cl)cc1Br ZINC000159514062 197359707 /nfs/dbraw/zinc/35/97/07/197359707.db2.gz AXXPFWKGARXTNJ-UHFFFAOYSA-N 1 0 322.634 2.299 10 0 DEAERO C[C@@](O)(C[NH+]1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000105805952 194134138 /nfs/dbraw/zinc/13/41/38/194134138.db2.gz KDPXRSBBMHPAJA-GOSISDBHSA-N 1 0 312.417 2.261 10 0 DEAERO COC(=O)c1cc(C[NH+]2CCC(Cn3cccn3)CC2)oc1C ZINC000105886155 194157603 /nfs/dbraw/zinc/15/76/03/194157603.db2.gz KUNKABRGLATYCX-UHFFFAOYSA-N 1 0 317.389 2.483 10 0 DEAERO CCn1cnnc1C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105904702 194165931 /nfs/dbraw/zinc/16/59/31/194165931.db2.gz CTIYTAXTASFJGW-MRXNPFEDSA-N 1 0 300.406 2.211 10 0 DEAERO C[NH+](C)C[C@H]1CN(Cc2ncc(-c3ccc(F)cc3)o2)CCO1 ZINC000105926132 194171065 /nfs/dbraw/zinc/17/10/65/194171065.db2.gz KTSAGHGRXYPKLB-HNNXBMFYSA-N 1 0 319.380 2.243 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCOCC[C@H]1C)c1ccco1 ZINC000374992463 284769037 /nfs/dbraw/zinc/76/90/37/284769037.db2.gz YMEUGONVAZYMHW-CABCVRRESA-N 1 0 323.437 2.483 10 0 DEAERO CCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1F ZINC000106335534 194197910 /nfs/dbraw/zinc/19/79/10/194197910.db2.gz LEUAVJXVBRTFSE-ZDUSSCGKSA-N 1 0 309.385 2.118 10 0 DEAERO Cc1cc(C)cc(CN2CC[NH+](C(C)(C)C(N)=S)CC2)c1 ZINC000109470862 194266968 /nfs/dbraw/zinc/26/69/68/194266968.db2.gz XUIAGIWGKMVGAF-UHFFFAOYSA-N 1 0 305.491 2.486 10 0 DEAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2cc(C)ccc2C)CC1 ZINC000109468945 194267081 /nfs/dbraw/zinc/26/70/81/194267081.db2.gz KFEYCGFEHGQIEE-MRXNPFEDSA-N 1 0 305.491 2.486 10 0 DEAERO CCC[C@@H](c1nc(-c2cnn(C)c2)cs1)N1CC[NH2+]CC1 ZINC000109472857 194267237 /nfs/dbraw/zinc/26/72/37/194267237.db2.gz NGIUODRSQPDQHD-AWEZNQCLSA-N 1 0 305.451 2.290 10 0 DEAERO COC[C@@H]([NH3+])Cc1nc(-c2ccccc2Br)no1 ZINC000109518135 194271005 /nfs/dbraw/zinc/27/10/05/194271005.db2.gz JWWIROWBYLPMJG-QMMMGPOBSA-N 1 0 312.167 2.015 10 0 DEAERO O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051359350 183824995 /nfs/dbraw/zinc/82/49/95/183824995.db2.gz ZLRTXSZXTUEMKH-UONOGXRCSA-N 1 0 314.838 2.245 10 0 DEAERO C[NH2+]CC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000053664085 183909566 /nfs/dbraw/zinc/90/95/66/183909566.db2.gz WZJQJEVEZKBJEI-UHFFFAOYSA-N 1 0 318.389 2.119 10 0 DEAERO CCC[NH2+][C@H](C)c1sc(N2CCNC(=O)[C@@H]2CC)nc1C ZINC000110688870 194350252 /nfs/dbraw/zinc/35/02/52/194350252.db2.gz FTNKBLVOKXVCIA-PWSUYJOCSA-N 1 0 310.467 2.227 10 0 DEAERO Cc1ccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000110928512 194371498 /nfs/dbraw/zinc/37/14/98/194371498.db2.gz VVLXKBOQFBSQBC-NSHDSACASA-N 1 0 302.827 2.021 10 0 DEAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cccc(Cl)c1 ZINC000110942194 194371732 /nfs/dbraw/zinc/37/17/32/194371732.db2.gz VWDIJOBWVMOUHB-CYBMUJFWSA-N 1 0 316.854 2.493 10 0 DEAERO CCN(CC(=O)Nc1ccccc1SC)[C@@H]1CCC[NH2+]C1 ZINC000110944301 194372715 /nfs/dbraw/zinc/37/27/15/194372715.db2.gz PDTWZLJUSNQMKO-CYBMUJFWSA-N 1 0 307.463 2.421 10 0 DEAERO C[C@@H](C(=O)Nc1cc(Cl)ccc1N)N(C)CCC[NH+](C)C ZINC000111131348 194392779 /nfs/dbraw/zinc/39/27/79/194392779.db2.gz PIVLNNDEIFOWDZ-NSHDSACASA-N 1 0 312.845 2.133 10 0 DEAERO C[C@H]([NH2+]Cc1csc(Br)c1)C(=O)NC1CC1 ZINC000157518642 197193382 /nfs/dbraw/zinc/19/33/82/197193382.db2.gz KSQLTVVYJYVALT-ZETCQYMHSA-N 1 0 303.225 2.267 10 0 DEAERO O=C(CCN1CCC[N@@H+](C2CC2)CC1)Nc1ccc(F)cc1 ZINC000061040867 184160183 /nfs/dbraw/zinc/16/01/83/184160183.db2.gz LTBOSXTVBYXNPU-UHFFFAOYSA-N 1 0 305.397 2.324 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000061270099 184167040 /nfs/dbraw/zinc/16/70/40/184167040.db2.gz GMQRMDFIUXEXSD-SNVBAGLBSA-N 1 0 311.813 2.368 10 0 DEAERO CC[NH2+]C[C@H](C)C(=O)NCc1ccccc1OC(F)(F)F ZINC000061267479 184167104 /nfs/dbraw/zinc/16/71/04/184167104.db2.gz JNQXSUURMGNMDB-JTQLQIEISA-N 1 0 304.312 2.447 10 0 DEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000061271144 184167290 /nfs/dbraw/zinc/16/72/90/184167290.db2.gz ZTSHAXHGHOGZDE-VIFPVBQESA-N 1 0 320.361 2.010 10 0 DEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000061271010 184167392 /nfs/dbraw/zinc/16/73/92/184167392.db2.gz DHMCIAKKMQLJDE-SNVBAGLBSA-N 1 0 307.785 2.247 10 0 DEAERO CCN(CC)c1nc(Cl)nc(N[C@@H](C[NH+](C)C)C(C)C)n1 ZINC000061539299 184173659 /nfs/dbraw/zinc/17/36/59/184173659.db2.gz XXERVWZLCWEFOF-NSHDSACASA-N 1 0 314.865 2.369 10 0 DEAERO CCn1c(S[C@@H](c2ccc(Cl)cc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594192 184175921 /nfs/dbraw/zinc/17/59/21/184175921.db2.gz DSUUUGMFNQHTFV-LDYMZIIASA-N 1 0 312.826 2.425 10 0 DEAERO C[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1cccc(F)c1 ZINC000061594718 184175958 /nfs/dbraw/zinc/17/59/58/184175958.db2.gz NRUHVLYBKXRGHO-UFBFGSQYSA-N 1 0 308.382 2.226 10 0 DEAERO CC(C)(CC(N)=O)C[C@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000061825498 184188898 /nfs/dbraw/zinc/18/88/98/184188898.db2.gz WILSVEQOGTWEMT-NSHDSACASA-N 1 0 309.797 2.126 10 0 DEAERO Nc1cc(Cl)ccc1NC(=O)CCC[N@@H+]1CCCOCC1 ZINC000061913886 184195067 /nfs/dbraw/zinc/19/50/67/184195067.db2.gz MJJIAWXQOPECHE-UHFFFAOYSA-N 1 0 311.813 2.363 10 0 DEAERO C[NH2+]Cc1cc(Br)cnc1N1CCCO[C@H](C)C1 ZINC000061935208 184196908 /nfs/dbraw/zinc/19/69/08/184196908.db2.gz CFHTZZFMGWAQHQ-SNVBAGLBSA-N 1 0 314.227 2.179 10 0 DEAERO C[N@H+](CCNc1nc2c(cc1C(N)=S)CCCC2)C1CC1 ZINC000062010451 184201345 /nfs/dbraw/zinc/20/13/45/184201345.db2.gz XWODPIKOFXHYBU-UHFFFAOYSA-N 1 0 304.463 2.101 10 0 DEAERO COC(=O)CC[C@@H]([NH3+])Cc1ccc(OC)c(Br)c1 ZINC000061893334 184192991 /nfs/dbraw/zinc/19/29/91/184192991.db2.gz XYIBZIMHLKRAFR-SNVBAGLBSA-N 1 0 316.195 2.281 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1c1ccccc1 ZINC000062347793 184231554 /nfs/dbraw/zinc/23/15/54/184231554.db2.gz NMDPSBMINAYHKE-ZBFHGGJFSA-N 1 0 317.433 2.029 10 0 DEAERO COCC[NH2+]Cc1cccc(OCc2ncc(Cl)n2C)c1 ZINC000062731703 184251288 /nfs/dbraw/zinc/25/12/88/184251288.db2.gz LSFPQLWWFJIWQC-UHFFFAOYSA-N 1 0 309.797 2.389 10 0 DEAERO O=S1(=O)CC[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000062961556 184262390 /nfs/dbraw/zinc/26/23/90/184262390.db2.gz HLBOKPQOEAJYSA-JQWIXIFHSA-N 1 0 301.408 2.139 10 0 DEAERO CCC1(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC[NH2+]CC1 ZINC000062848774 184256777 /nfs/dbraw/zinc/25/67/77/184256777.db2.gz LNMREXPOLNLYCY-UHFFFAOYSA-N 1 0 309.797 2.157 10 0 DEAERO CC[C@]1(C(=O)NCc2ccc(Br)cc2)CC[NH2+]C1 ZINC000062889638 184258562 /nfs/dbraw/zinc/25/85/62/184258562.db2.gz TYZDGYCTNIMNPR-AWEZNQCLSA-N 1 0 311.223 2.455 10 0 DEAERO CCC[C@@]1(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC[NH2+]C1 ZINC000062892794 184258603 /nfs/dbraw/zinc/25/86/03/184258603.db2.gz LEFYMQGLLHZORI-OAHLLOKOSA-N 1 0 309.797 2.157 10 0 DEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000062657520 184246798 /nfs/dbraw/zinc/24/67/98/184246798.db2.gz AWAJJOJSNMBJOZ-KWQFWETISA-N 1 0 306.259 2.160 10 0 DEAERO Cc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@H]2[NH3+])cc1F ZINC000063213470 184278329 /nfs/dbraw/zinc/27/83/29/184278329.db2.gz HGIKLYVKUHWUKY-KGLIPLIRSA-N 1 0 300.399 2.072 10 0 DEAERO [NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000063213788 184279032 /nfs/dbraw/zinc/27/90/32/184279032.db2.gz SITMCBBSDCISDH-NWDGAFQWSA-N 1 0 320.817 2.417 10 0 DEAERO CCCOc1nc(Cl)nc(N2CC[C@@H]([NH+](CC)CC)C2)n1 ZINC000062983324 184264163 /nfs/dbraw/zinc/26/41/63/184264163.db2.gz JVXTZHUTHUFTBZ-LLVKDONJSA-N 1 0 313.833 2.234 10 0 DEAERO C[C@H](CC[NH3+])N(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000063086576 184269906 /nfs/dbraw/zinc/26/99/06/184269906.db2.gz ADDYQCFHGFUVKY-SECBINFHSA-N 1 0 310.341 2.154 10 0 DEAERO CN(CC1CC[NH+](C)CC1)C(=O)C1(C(N)=S)CCCCC1 ZINC000063124821 184271552 /nfs/dbraw/zinc/27/15/52/184271552.db2.gz ZFMWKMLKMIKLHW-UHFFFAOYSA-N 1 0 311.495 2.023 10 0 DEAERO CS(=O)(=O)c1ccc(S[C@H](C[NH3+])c2ccccn2)cc1 ZINC000063131263 184272224 /nfs/dbraw/zinc/27/22/24/184272224.db2.gz PEWVJXVOXQNXHW-CQSZACIVSA-N 1 0 308.428 2.277 10 0 DEAERO CCCN(CCC)S(=O)(=O)N1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000063138624 184273338 /nfs/dbraw/zinc/27/33/38/184273338.db2.gz AOFGERFFLKFEOO-OAHLLOKOSA-N 1 0 319.515 2.063 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1CC(=O)Nc1ccc(F)cc1Cl ZINC000063168693 184275624 /nfs/dbraw/zinc/27/56/24/184275624.db2.gz XLEFDATVQFJUEG-GFCCVEGCSA-N 1 0 313.804 2.492 10 0 DEAERO C[C@H]([NH3+])CCNC(=O)c1cc(Br)cn1C1CC1 ZINC000063170212 184275712 /nfs/dbraw/zinc/27/57/12/184275712.db2.gz RKZJCYOYVPSHOT-QMMMGPOBSA-N 1 0 300.200 2.053 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000536020221 284929389 /nfs/dbraw/zinc/92/93/89/284929389.db2.gz UALIKBLWGPMDAC-CVEARBPZSA-N 1 0 302.422 2.183 10 0 DEAERO CCCC[NH2+]CC(=O)Nc1cccc(CCC(=O)N(C)C)c1 ZINC000066213973 184397076 /nfs/dbraw/zinc/39/70/76/184397076.db2.gz FQRVSTLHEHVPOO-UHFFFAOYSA-N 1 0 305.422 2.036 10 0 DEAERO CCCN(CCC)C(=O)c1cccc(NC(=O)C[NH2+]CC)c1 ZINC000066225767 184397662 /nfs/dbraw/zinc/39/76/62/184397662.db2.gz WKHFGYOVULVASJ-UHFFFAOYSA-N 1 0 305.422 2.497 10 0 DEAERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H](O)CC1CCCC1)CC2 ZINC000248955824 207371391 /nfs/dbraw/zinc/37/13/91/207371391.db2.gz ONDCXCPMHXOMPQ-GVDBMIGSSA-N 1 0 311.466 2.180 10 0 DEAERO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000068615347 184493424 /nfs/dbraw/zinc/49/34/24/184493424.db2.gz NDQFWFZFPXHYBX-VNHYZAJKSA-N 1 0 302.484 2.215 10 0 DEAERO CC[NH+](CC)CCNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114818345 194694293 /nfs/dbraw/zinc/69/42/93/194694293.db2.gz ISYONNPYACQSTN-CYBMUJFWSA-N 1 0 310.467 2.374 10 0 DEAERO c1nc(N2CCCC2)ncc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000537635074 285009131 /nfs/dbraw/zinc/00/91/31/285009131.db2.gz PUFNLMCUWUJIKB-SFHVURJKSA-N 1 0 316.449 2.469 10 0 DEAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)cc1 ZINC000119672464 195015021 /nfs/dbraw/zinc/01/50/21/195015021.db2.gz RACQJEMCEBMHAU-NEPJUHHUSA-N 1 0 303.406 2.276 10 0 DEAERO COC[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000120123759 195100231 /nfs/dbraw/zinc/10/02/31/195100231.db2.gz NIVDRVNXYSMYNO-CVEARBPZSA-N 1 0 309.454 2.071 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000539417106 285076836 /nfs/dbraw/zinc/07/68/36/285076836.db2.gz KDWCGKZHEGJHHC-UHFFFAOYSA-N 1 0 322.424 2.284 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(-c2ccncc2)on1 ZINC000120141525 195103640 /nfs/dbraw/zinc/10/36/40/195103640.db2.gz AKDKQZKNROBDKB-CYBMUJFWSA-N 1 0 314.389 2.341 10 0 DEAERO Cc1nnc(-c2ccccc2C(=O)N(C)CCC[NH+](C)C)o1 ZINC000539415521 285075989 /nfs/dbraw/zinc/07/59/89/285075989.db2.gz AXNWQZKECDVUIB-UHFFFAOYSA-N 1 0 302.378 2.069 10 0 DEAERO CCc1nc2sccc2c(N2CC[NH+]([C@H](CC)CO)CC2)n1 ZINC000270186300 208249404 /nfs/dbraw/zinc/24/94/04/208249404.db2.gz AXOYYPUQFGRLTJ-GFCCVEGCSA-N 1 0 320.462 2.147 10 0 DEAERO [NH3+][C@@H](C[S@@](=O)c1ccc2c(c1)OCCCO2)C1CCCC1 ZINC000159164447 197332106 /nfs/dbraw/zinc/33/21/06/197332106.db2.gz LSNPVZVRJOTSIY-QKKBWIMNSA-N 1 0 309.431 2.473 10 0 DEAERO [NH3+][C@H](C[S@@](=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000159159140 197331817 /nfs/dbraw/zinc/33/18/17/197331817.db2.gz OBIVPDJLXBTVAJ-PHFRFRENSA-N 1 0 307.337 2.177 10 0 DEAERO [NH3+][C@@H](c1cc(F)cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000159215376 197336838 /nfs/dbraw/zinc/33/68/38/197336838.db2.gz KLFZBSYOXQUJBR-RDDDGLTNSA-N 1 0 311.300 2.279 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1nc(C(C)C)no1 ZINC000120206881 195120045 /nfs/dbraw/zinc/12/00/45/195120045.db2.gz QYTDTVQIXZXHSA-CYBMUJFWSA-N 1 0 310.442 2.218 10 0 DEAERO C[NH2+]Cc1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc(C)c1F ZINC000159124784 197329008 /nfs/dbraw/zinc/32/90/08/197329008.db2.gz BIIANHWHLCTTRU-RYUDHWBXSA-N 1 0 314.426 2.130 10 0 DEAERO Cc1cc(S(=O)(=O)N2CCCC2(C)C)cc(C[NH3+])c1F ZINC000159115062 197328114 /nfs/dbraw/zinc/32/81/14/197328114.db2.gz KPLXXPMJOGLACT-UHFFFAOYSA-N 1 0 300.399 2.156 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000159104994 197327665 /nfs/dbraw/zinc/32/76/65/197327665.db2.gz WAKUKYQELZPOIK-OCCSQVGLSA-N 1 0 320.437 2.115 10 0 DEAERO [NH3+]C1CCN([C@@H]2CCN(C(=O)c3sccc3Cl)C2)CC1 ZINC000159083189 197325829 /nfs/dbraw/zinc/32/58/29/197325829.db2.gz HKRBGRMZKBPHTP-LLVKDONJSA-N 1 0 313.854 2.039 10 0 DEAERO CCC[C@@H](C)N(C)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159072690 197324674 /nfs/dbraw/zinc/32/46/74/197324674.db2.gz WLEFFZXMZGKCIJ-LLVKDONJSA-N 1 0 302.415 2.402 10 0 DEAERO CCC[C@H](C)N(C)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159072830 197324252 /nfs/dbraw/zinc/32/42/52/197324252.db2.gz WLEFFZXMZGKCIJ-NSHDSACASA-N 1 0 302.415 2.402 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(C)C(C)C)cc(C)c1F ZINC000159054693 197322618 /nfs/dbraw/zinc/32/26/18/197322618.db2.gz LKYCEZGDDZXPPS-UHFFFAOYSA-N 1 0 302.415 2.273 10 0 DEAERO CCC[NH2+][C@H](C[S@](=O)c1ccc(F)c(F)c1)[C@@H]1CCOC1 ZINC000159048958 197321828 /nfs/dbraw/zinc/32/18/28/197321828.db2.gz JFRQCOOJKIIFLE-GKABBXAVSA-N 1 0 317.401 2.477 10 0 DEAERO COCCn1cc(C(=O)N(C)CCC[NH+](C)C)c2ccccc21 ZINC000540515343 285119371 /nfs/dbraw/zinc/11/93/71/285119371.db2.gz DHTGCAKFRUGILJ-UHFFFAOYSA-N 1 0 317.433 2.311 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)CSc1nccn1C(C)(C)C ZINC000540516753 285119397 /nfs/dbraw/zinc/11/93/97/285119397.db2.gz GMZYXRKALFFRFU-UHFFFAOYSA-N 1 0 312.483 2.140 10 0 DEAERO CCO[C@H](C[NH3+])CC[S@](=O)c1cccc(Br)c1 ZINC000158933044 197312525 /nfs/dbraw/zinc/31/25/25/197312525.db2.gz ZLRFBEWIJGUTNB-APPDUMDISA-N 1 0 320.252 2.311 10 0 DEAERO CC[C@H]1CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000159008790 197319003 /nfs/dbraw/zinc/31/90/03/197319003.db2.gz NVJTVDMQCKXMGA-HOCLYGCPSA-N 1 0 310.463 2.360 10 0 DEAERO CC(C)C[NH2+]Cc1ccc(Sc2nnnn2C2CC2)nc1 ZINC000158867869 197306959 /nfs/dbraw/zinc/30/69/59/197306959.db2.gz DPYFGZXEDXBZGV-UHFFFAOYSA-N 1 0 304.423 2.300 10 0 DEAERO COc1ccc([C@H](C[NH3+])N(C)[C@@H]2CCOC2)c(Cl)c1OC ZINC000158711968 197295983 /nfs/dbraw/zinc/29/59/83/197295983.db2.gz FLOCSCBQZCDJIS-PWSUYJOCSA-N 1 0 314.813 2.078 10 0 DEAERO C[C@H]1C[C@H](n2c(N)nc3cc(Br)cnc32)CC[N@@H+]1C ZINC000158663540 197293077 /nfs/dbraw/zinc/29/30/77/197293077.db2.gz UJKCOGRZSFFCPL-WCBMZHEXSA-N 1 0 324.226 2.431 10 0 DEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c(C)o1 ZINC000158774287 197299659 /nfs/dbraw/zinc/29/96/59/197299659.db2.gz PEITUMHDYLLNQO-CHWSQXEVSA-N 1 0 312.435 2.118 10 0 DEAERO C[NH2+]Cc1sc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1C ZINC000158768399 197299674 /nfs/dbraw/zinc/29/96/74/197299674.db2.gz GXCVGXXNZLPMIL-VXGBXAGGSA-N 1 0 314.476 2.197 10 0 DEAERO CC[NH2+]Cc1csc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000158746585 197298030 /nfs/dbraw/zinc/29/80/30/197298030.db2.gz RMGKYODMWKLMFG-STQMWFEESA-N 1 0 314.476 2.278 10 0 DEAERO CC[NH2+][C@H](CS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000158714691 197296302 /nfs/dbraw/zinc/29/63/02/197296302.db2.gz JXRAFVZOCSBSEL-BXUZGUMPSA-N 1 0 317.838 2.128 10 0 DEAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000540891375 285134083 /nfs/dbraw/zinc/13/40/83/285134083.db2.gz PPNFYUBGNLMHIY-HNNXBMFYSA-N 1 0 313.405 2.139 10 0 DEAERO C[C@@H]1C[C@H](Nc2nc(Br)cn3ccnc23)CC[N@@H+]1C ZINC000158595312 197286805 /nfs/dbraw/zinc/28/68/05/197286805.db2.gz PQDWDXQEOCGNBS-NXEZZACHSA-N 1 0 324.226 2.386 10 0 DEAERO C[NH2+]Cc1cc(Br)cnc1N(C)CCOC(C)C ZINC000158343916 197264633 /nfs/dbraw/zinc/26/46/33/197264633.db2.gz LCTIQPAYUQNPQC-UHFFFAOYSA-N 1 0 316.243 2.425 10 0 DEAERO CCC[C@H](C(=O)NCc1ccc(OC)c(OCC)c1)[NH+](C)C ZINC000158438895 197272423 /nfs/dbraw/zinc/27/24/23/197272423.db2.gz RFJAHNREVXJRTO-CQSZACIVSA-N 1 0 308.422 2.440 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)c2ccc3nc(N)sc3c2)CC[N@@H+]1C ZINC000157826130 197218990 /nfs/dbraw/zinc/21/89/90/197218990.db2.gz MQVQJNQEKFVCQO-KOLCDFICSA-N 1 0 304.419 2.091 10 0 DEAERO CCN[C@@](C)(CCC[N@H+](C)CCOC(C)C)C(=O)OCC ZINC000157489357 197190883 /nfs/dbraw/zinc/19/08/83/197190883.db2.gz BXDJRANXOJRGTD-INIZCTEOSA-N 1 0 302.459 2.055 10 0 DEAERO CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H]([N@H+](C)CCOC(C)C)C1 ZINC000157510864 197193184 /nfs/dbraw/zinc/19/31/84/197193184.db2.gz AIQFYQYXDXZCDT-GDBMZVCRSA-N 1 0 300.443 2.107 10 0 DEAERO [NH3+]Cc1cc(Br)ccc1Oc1nccn2cnnc12 ZINC000157519632 197193252 /nfs/dbraw/zinc/19/32/52/197193252.db2.gz GVMAQKOZTNYMRS-UHFFFAOYSA-N 1 0 320.150 2.138 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NCC(C)(C)SC)o1 ZINC000157463621 197188774 /nfs/dbraw/zinc/18/87/74/197188774.db2.gz KMNIIAOQQUXPOU-UHFFFAOYSA-N 1 0 320.480 2.199 10 0 DEAERO CC[NH+](CC)CCNC(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000157288940 197177383 /nfs/dbraw/zinc/17/73/83/197177383.db2.gz ABIIFCIQCCQKHZ-UKRRQHHQSA-N 1 0 305.422 2.192 10 0 DEAERO O[C@H](C[NH2+]C1CC1)COc1cc(F)cc(Br)c1 ZINC000157229393 197171909 /nfs/dbraw/zinc/17/19/09/197171909.db2.gz VNJIHEANFMJKCY-LLVKDONJSA-N 1 0 304.159 2.080 10 0 DEAERO Cc1cc2sc(C(=O)N(C)CC[NH+](C)C)c(N)c2c(C)n1 ZINC000157023855 197156008 /nfs/dbraw/zinc/15/60/08/197156008.db2.gz IODKYRLALQMVHB-UHFFFAOYSA-N 1 0 306.435 2.129 10 0 DEAERO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)[C@H]1C[NH3+] ZINC000246655778 296398093 /nfs/dbraw/zinc/39/80/93/296398093.db2.gz ZXGYSBGJQZXLKM-SKDRFNHKSA-N 1 0 320.817 2.227 10 0 DEAERO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)NC1CCN(C(C)=O)CC1 ZINC000156833915 197143677 /nfs/dbraw/zinc/14/36/77/197143677.db2.gz HPRIBUNYCGUVAD-MRXNPFEDSA-N 1 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COc1cccc2c1OCC(C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C)=C2 ZINC000155550951 197065412 /nfs/dbraw/zinc/06/54/12/197065412.db2.gz IQTAYTXCLWGCFG-CHWSQXEVSA-N 1 0 316.401 2.022 10 0 DEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(C[S@](C)=O)c2)C1 ZINC000155406992 197051834 /nfs/dbraw/zinc/05/18/34/197051834.db2.gz LLHGWVFQQQMTKL-JFUMZLFPSA-N 1 0 322.474 2.024 10 0 DEAERO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)C1CCOCC1 ZINC000558971410 291908672 /nfs/dbraw/zinc/90/86/72/291908672.db2.gz NGCIOBSXAIHTMC-IKGGRYGDSA-N 1 0 311.466 2.349 10 0 DEAERO COc1cc2c(cc1F)ncnc2N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000302551354 533164953 /nfs/dbraw/zinc/16/49/53/533164953.db2.gz IIXSSAMGFZYQEV-LBPRGKRZSA-N 1 0 314.364 2.228 10 0 DEAERO COc1cccc(OCC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000155136186 197025664 /nfs/dbraw/zinc/02/56/64/197025664.db2.gz HWMUTTWXGLHSHG-CYBMUJFWSA-N 1 0 305.296 2.073 10 0 DEAERO Cc1cc(C)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000154525263 196971093 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C[C@@H]1C[N@H+](CC2CC2)CC[C@@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000249692413 257106802 /nfs/dbraw/zinc/10/68/02/257106802.db2.gz MNIXOIYNFUSWQU-SKDZVZGDSA-N 1 0 306.450 2.182 10 0 DEAERO Cc1noc(C)c1C[N@@H+]1CC[C@@H]2C[C@H](c3ccncn3)O[C@H]2C1 ZINC000251993279 257107570 /nfs/dbraw/zinc/10/75/70/257107570.db2.gz JTORMWGCLYNYOB-XYPHTWIQSA-N 1 0 314.389 2.434 10 0 DEAERO c1csc(CN2C[C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C2)n1 ZINC000247929916 257114206 /nfs/dbraw/zinc/11/42/06/257114206.db2.gz QIDVHCDNZYXKDL-ZNMIVQPWSA-N 1 0 307.463 2.076 10 0 DEAERO O=C(NCC1CC1)[C@@H]1C[C@H]2CC[N@@H+](C3CCCCC3)C[C@H]2O1 ZINC000247475550 257119231 /nfs/dbraw/zinc/11/92/31/257119231.db2.gz HAJWYWRPOVDCMJ-HYVNUMGLSA-N 1 0 306.450 2.325 10 0 DEAERO O=C(NCC1CC1)[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]2OCC[C@@H]21 ZINC000247494626 257119522 /nfs/dbraw/zinc/11/95/22/257119522.db2.gz NTVDCPRPZOCPAV-OAGGEKHMSA-N 1 0 320.458 2.111 10 0 DEAERO COCCN1CCO[C@@H]2CC[N@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC000503713003 257210457 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ZINC000261874485 533366821 /nfs/dbraw/zinc/36/68/21/533366821.db2.gz DLQYXNDNVYVYCG-KZNAEPCWSA-N 1 0 310.482 2.473 10 0 DEAERO CO[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443613445 533413756 /nfs/dbraw/zinc/41/37/56/533413756.db2.gz BDANGDDPAFVOJI-QWHCGFSZSA-N 1 0 303.324 2.330 10 0 DEAERO CO[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443613441 533415578 /nfs/dbraw/zinc/41/55/78/533415578.db2.gz BDANGDDPAFVOJI-CHWSQXEVSA-N 1 0 303.324 2.330 10 0 DEAERO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(-n2cnnn2)cc1 ZINC000187848510 533417843 /nfs/dbraw/zinc/41/78/43/533417843.db2.gz KMXBMGPEPPMDJS-DOMZBBRYSA-N 1 0 301.394 2.271 10 0 DEAERO Cc1cc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c(C)s1 ZINC000070196101 291978905 /nfs/dbraw/zinc/97/89/05/291978905.db2.gz XOFUYCNRCWXKFU-CYBMUJFWSA-N 1 0 322.455 2.444 10 0 DEAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)[C@@H]2CCO[C@H]21 ZINC000227069741 132551134 /nfs/dbraw/zinc/55/11/34/132551134.db2.gz YXHFQQXSRNNLMT-WUHRBBMRSA-N 1 0 306.372 2.274 10 0 DEAERO c1cc(CN2CCOCC2)ccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000347705174 132782778 /nfs/dbraw/zinc/78/27/78/132782778.db2.gz QGGNJSJGANBYDL-GOSISDBHSA-N 1 0 304.434 2.035 10 0 DEAERO CCN1C2(CCC(C(C)(C)CC)CC2)[C@H]([NH3+])CS1(=O)=O ZINC000725256363 542770651 /nfs/dbraw/zinc/77/06/51/542770651.db2.gz HHXYAWVCBDEVDJ-JVWICGRDSA-N 1 0 302.484 2.344 10 0 DEAERO C[NH+](C)CC[C@@H](NC(=O)NCCOCC1CCC1)C(C)(C)C ZINC000562914980 292016285 /nfs/dbraw/zinc/01/62/85/292016285.db2.gz QIHAKXUJSOGOBS-OAHLLOKOSA-N 1 0 313.486 2.469 10 0 DEAERO CCOCCOC[C@H](O)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000357862709 133105845 /nfs/dbraw/zinc/10/58/45/133105845.db2.gz YFPUZRNDRYUJEF-KZNAEPCWSA-N 1 0 307.434 2.326 10 0 DEAERO C[C@H]1CN(C)C[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000358012889 133115806 /nfs/dbraw/zinc/11/58/06/133115806.db2.gz BLEMAXFWQHMZOC-SMDDNHRTSA-N 1 0 313.239 2.368 10 0 DEAERO CC(C)c1ccc(/C=C\CC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358068357 133119180 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ZINC000373504409 133393460 /nfs/dbraw/zinc/39/34/60/133393460.db2.gz HIYPPIGEVQWCIV-JQIJEIRASA-N 1 0 321.509 2.465 10 0 DEAERO CCCS(=O)(=O)c1ccccc1N1CCC(CC[NH3+])CC1 ZINC000053705758 134770767 /nfs/dbraw/zinc/77/07/67/134770767.db2.gz CUEDQYAIFBJROM-UHFFFAOYSA-N 1 0 310.463 2.436 10 0 DEAERO Cn1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c2cc(F)ccc21 ZINC000563768749 292072551 /nfs/dbraw/zinc/07/25/51/292072551.db2.gz WPCVQVIPOLKAPU-GFCCVEGCSA-N 1 0 303.381 2.389 10 0 DEAERO Cc1ccc(CCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000116791938 292093237 /nfs/dbraw/zinc/09/32/37/292093237.db2.gz GESGYSTURDCUIL-KRWDZBQOSA-N 1 0 304.434 2.025 10 0 DEAERO COC1(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CCCCC1 ZINC000548989852 285822204 /nfs/dbraw/zinc/82/22/04/285822204.db2.gz QYWMFKBLDYVNGX-HOTGVXAUSA-N 1 0 311.466 2.493 10 0 DEAERO CN(CCC[NH+](C)C)C(=O)Nc1ccc(OC(F)F)nc1 ZINC000549102244 285829263 /nfs/dbraw/zinc/82/92/63/285829263.db2.gz CPAGOKDQXUSTNX-UHFFFAOYSA-N 1 0 302.325 2.098 10 0 DEAERO 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C[N@H+](CCN1CCS[C@H]2COCC[C@H]21)Cc1ccc(F)cc1 ZINC000248558465 145158483 /nfs/dbraw/zinc/15/84/83/145158483.db2.gz IUNSXQFDPWAQAB-SJORKVTESA-N 1 0 324.465 2.464 10 0 DEAERO Cc1cnc([C@@H](C)CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000248615973 145161377 /nfs/dbraw/zinc/16/13/77/145161377.db2.gz LXIIKBQPCLPYKU-AAEUAGOBSA-N 1 0 308.451 2.045 10 0 DEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000248662234 145163528 /nfs/dbraw/zinc/16/35/28/145163528.db2.gz YDGKGCBBKVBBHY-HZPDHXFCSA-N 1 0 309.454 2.260 10 0 DEAERO Cc1cncc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000248885868 145172142 /nfs/dbraw/zinc/17/21/42/145172142.db2.gz DYWGNFNQYOAXEK-XYJFISCASA-N 1 0 303.450 2.464 10 0 DEAERO Cc1nn(C)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000249030051 145176012 /nfs/dbraw/zinc/17/60/12/145176012.db2.gz LNBFQVBMVOYFTL-HOCLYGCPSA-N 1 0 313.405 2.295 10 0 DEAERO C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@@H](O)CC1CCCC1 ZINC000249113435 145179223 /nfs/dbraw/zinc/17/92/23/145179223.db2.gz RNQVFVJLLHDTCK-RBUKOAKNSA-N 1 0 321.461 2.437 10 0 DEAERO COc1ccc([C@@H]2CCCN2C(=O)CN2CCO[C@H](C)C2)cc1 ZINC000249711425 145189481 /nfs/dbraw/zinc/18/94/81/145189481.db2.gz FBQTVSWMZSZYDC-PBHICJAKSA-N 1 0 318.417 2.079 10 0 DEAERO Cc1cc2ncc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)c(C)n2n1 ZINC000252732889 145200128 /nfs/dbraw/zinc/20/01/28/145200128.db2.gz WZYQOMYFHDIPOA-OABGYEMISA-N 1 0 308.451 2.154 10 0 DEAERO COc1ccccc1/C=C\CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000255548483 145204483 /nfs/dbraw/zinc/20/44/83/145204483.db2.gz VBZRDYKBDJPCEL-AATOQMJSSA-N 1 0 316.445 2.363 10 0 DEAERO CCN(Cc1ccccc1)C(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261551168 145207193 /nfs/dbraw/zinc/20/71/93/145207193.db2.gz QGDWPMDMOCTFNJ-INIZCTEOSA-N 1 0 303.450 2.094 10 0 DEAERO C[NH2+][C@H](C)Cc1noc([C@@H]2CCCN2C(=O)c2cccs2)n1 ZINC000261605895 145209986 /nfs/dbraw/zinc/20/99/86/145209986.db2.gz ACSQVIOVLJUSSS-MNOVXSKESA-N 1 0 320.418 2.259 10 0 DEAERO CC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261630677 145212521 /nfs/dbraw/zinc/21/25/21/145212521.db2.gz CXBNIVAUAZDRFS-MLGOLLRUSA-N 1 0 317.433 2.275 10 0 DEAERO C[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)[C@H](C[NH3+])C1 ZINC000261648687 145213602 /nfs/dbraw/zinc/21/36/02/145213602.db2.gz PXJBVPYSLSXULS-ONGXEEELSA-N 1 0 320.817 2.227 10 0 DEAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCc1ccc(F)cc1 ZINC000261649021 145213917 /nfs/dbraw/zinc/21/39/17/145213917.db2.gz FNNXFSCOIRRICK-DAYGRLMNSA-N 1 0 320.408 2.017 10 0 DEAERO CC1(C)CN(S(=O)(=O)c2cccc(Cl)c2F)CC[C@@H]1[NH3+] ZINC000261660255 145214169 /nfs/dbraw/zinc/21/41/69/145214169.db2.gz DYSHSAUENRDYSM-NSHDSACASA-N 1 0 320.817 2.227 10 0 DEAERO CCC(=O)c1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000261668102 145214850 /nfs/dbraw/zinc/21/48/50/145214850.db2.gz CNUBCFHLJGRJGD-IYBDPMFKSA-N 1 0 300.402 2.351 10 0 DEAERO COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261668472 145214932 /nfs/dbraw/zinc/21/49/32/145214932.db2.gz FWKQPXOPZVUUKU-BYNSBNAKSA-N 1 0 310.438 2.132 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)C(=O)CCOc1ccccc1 ZINC000261669882 145215057 /nfs/dbraw/zinc/21/50/57/145215057.db2.gz GFJFFHOOSMAAOH-UHFFFAOYSA-N 1 0 312.413 2.486 10 0 DEAERO CC(C)(C)c1noc(CCCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261678263 145215418 /nfs/dbraw/zinc/21/54/18/145215418.db2.gz CHYSUFKZQAJPPY-LBPRGKRZSA-N 1 0 322.453 2.276 10 0 DEAERO CCc1ccc(CN(C)C(=O)CN2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261692973 145217496 /nfs/dbraw/zinc/21/74/96/145217496.db2.gz KVIQCQDYWRGFPA-KRWDZBQOSA-N 1 0 317.477 2.267 10 0 DEAERO CC(C)CO[C@@H](C)c1noc(CN(C)C[C@]2(C)CC[NH2+]C2)n1 ZINC000261705562 145218195 /nfs/dbraw/zinc/21/81/95/145218195.db2.gz CYTVSTDPYKLDMD-XJKSGUPXSA-N 1 0 310.442 2.235 10 0 DEAERO CS(=O)(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000261721608 145220373 /nfs/dbraw/zinc/22/03/73/145220373.db2.gz KHZOFPCCODXDHR-NSHDSACASA-N 1 0 300.399 2.031 10 0 DEAERO CC(C)CO[C@H](C)c1noc(CN2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261728574 145220414 /nfs/dbraw/zinc/22/04/14/145220414.db2.gz OBPWGPYSNUZRQV-OLZOCXBDSA-N 1 0 310.442 2.362 10 0 DEAERO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)CC1CCCC1 ZINC000261764446 145224253 /nfs/dbraw/zinc/22/42/53/145224253.db2.gz YHFVXTQULVLGGI-UHFFFAOYSA-N 1 0 310.463 2.010 10 0 DEAERO COc1cc(CNC(=O)[C@H]2CCC[NH2+]2)ccc1OC1CCCC1 ZINC000261776692 145224959 /nfs/dbraw/zinc/22/49/59/145224959.db2.gz JTVMOIAMPIJRHD-OAHLLOKOSA-N 1 0 318.417 2.385 10 0 DEAERO CCOCCOc1ccccc1-c1nc(C[C@H](C)[NH2+]C)no1 ZINC000261783757 145225528 /nfs/dbraw/zinc/22/55/28/145225528.db2.gz OAEWXNSOQKANBV-LBPRGKRZSA-N 1 0 305.378 2.302 10 0 DEAERO C[C@@H](NC(=O)[C@H]([NH3+])C1CCOCC1)c1ccc2c(c1)CCCC2 ZINC000261796762 145227212 /nfs/dbraw/zinc/22/72/12/145227212.db2.gz NWWDZHZUOWFTDL-FZKQIMNGSA-N 1 0 316.445 2.497 10 0 DEAERO [NH3+][C@H](C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1)C1CCOCC1 ZINC000261794982 145227374 /nfs/dbraw/zinc/22/73/74/145227374.db2.gz NUFVTUVMGZLURI-ZBFHGGJFSA-N 1 0 322.836 2.410 10 0 DEAERO C[C@@H](Oc1ccccc1)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261819920 145230730 /nfs/dbraw/zinc/23/07/30/145230730.db2.gz XSKMRSWSLKANQE-MRXNPFEDSA-N 1 0 312.413 2.484 10 0 DEAERO CC1(C)CN(Cc2noc(Cc3ccccc3)n2)CC[C@H]1[NH3+] ZINC000261824811 145231229 /nfs/dbraw/zinc/23/12/29/145231229.db2.gz PPEFZACYAQZPNW-CQSZACIVSA-N 1 0 300.406 2.220 10 0 DEAERO Cc1ccc(CNC(=O)[C@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828758 145231412 /nfs/dbraw/zinc/23/14/12/145231412.db2.gz YNNCOBDBWCEATP-HOCLYGCPSA-N 1 0 303.450 2.059 10 0 DEAERO [NH3+]C1(C(=O)Nc2ccc(Oc3ccncc3)cc2)CCOCC1 ZINC000261881517 145236877 /nfs/dbraw/zinc/23/68/77/145236877.db2.gz PIRAAQOKJGQTRI-UHFFFAOYSA-N 1 0 313.357 2.320 10 0 DEAERO CC(C)c1noc2ncc(C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)cc21 ZINC000261893413 145238403 /nfs/dbraw/zinc/23/84/03/145238403.db2.gz VUCTZNIOVAOOJA-WDEREUQCSA-N 1 0 302.378 2.156 10 0 DEAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccc(Br)s1 ZINC000261907776 145240201 /nfs/dbraw/zinc/24/02/01/145240201.db2.gz XPQWKJWNXCJWSI-BDAKNGLRSA-N 1 0 317.252 2.249 10 0 DEAERO O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000261925035 145242723 /nfs/dbraw/zinc/24/27/23/145242723.db2.gz YCLLKGDDVGZDQK-UKRRQHHQSA-N 1 0 316.401 2.469 10 0 DEAERO C1C[C@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@H]([C@@H]2COCCN2)C1 ZINC000261941060 145244775 /nfs/dbraw/zinc/24/47/75/145244775.db2.gz MVLJIHTXXMZCKR-SQNIBIBYSA-N 1 0 322.493 2.473 10 0 DEAERO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 ZINC000261955920 145246940 /nfs/dbraw/zinc/24/69/40/145246940.db2.gz KLTGQAKDJACROR-SFHVURJKSA-N 1 0 301.434 2.488 10 0 DEAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000261958721 145247140 /nfs/dbraw/zinc/24/71/40/145247140.db2.gz MEOYIDPEZAGWAC-DVZHBHJUSA-N 1 0 315.417 2.090 10 0 DEAERO COc1cccc(CO[C@H](C)C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261962223 145247337 /nfs/dbraw/zinc/24/73/37/145247337.db2.gz LATVZMVFHWHBHV-CZUORRHYSA-N 1 0 320.433 2.186 10 0 DEAERO COCC[C@@]1(C(=O)N[C@H](C)C(C)(C)c2ccccc2)CC[NH2+]C1 ZINC000261968120 145247770 /nfs/dbraw/zinc/24/77/70/145247770.db2.gz SYKFBJBAJPNWPP-BEFAXECRSA-N 1 0 318.461 2.485 10 0 DEAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261981262 145249335 /nfs/dbraw/zinc/24/93/35/145249335.db2.gz RQWJBBCTFBDCGL-ORQFMDKSSA-N 1 0 302.418 2.257 10 0 DEAERO C[C@H]1CCN(CC(=O)Nc2cccc3c2N=S=N3)[C@H](C[NH3+])C1 ZINC000261980431 145249477 /nfs/dbraw/zinc/24/94/77/145249477.db2.gz AIHVCIZEDUUPIT-QWRGUYRKSA-N 1 0 319.434 2.411 10 0 DEAERO C[C@H](C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1)C1C[NH2+]C1 ZINC000261988921 145250390 /nfs/dbraw/zinc/25/03/90/145250390.db2.gz BDOCNUVEVYOTRE-NSHDSACASA-N 1 0 303.406 2.009 10 0 DEAERO Cc1cc(C(C)C)nc(N2CCN(C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000262000818 145251976 /nfs/dbraw/zinc/25/19/76/145251976.db2.gz UAYMJCUUWOFFCP-INIZCTEOSA-N 1 0 317.481 2.030 10 0 DEAERO Fc1cccc(Cc2noc(-c3cc([C@@H]4CC[NH2+]C4)[nH]n3)n2)c1 ZINC000262137946 145265395 /nfs/dbraw/zinc/26/53/95/145265395.db2.gz YXFSKFLNIIPKDP-LLVKDONJSA-N 1 0 313.336 2.267 10 0 DEAERO Cc1ccc(-c2ccsc2C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262142477 145266342 /nfs/dbraw/zinc/26/63/42/145266342.db2.gz HHLFSVHERSGJOR-HIFRSBDPSA-N 1 0 316.426 2.034 10 0 DEAERO c1cnn(-c2ccc(CN3CC[NH2+]C[C@@H]3c3cccnc3)cc2)c1 ZINC000262232528 145270776 /nfs/dbraw/zinc/27/07/76/145270776.db2.gz OCXDOJYMWOVYLW-LJQANCHMSA-N 1 0 319.412 2.414 10 0 DEAERO COc1ccc(CCC2CCN(C(=O)[C@@H](C)C[NH3+])CC2)cc1 ZINC000262284097 145273895 /nfs/dbraw/zinc/27/38/95/145273895.db2.gz XODSWBMTFRBSLQ-AWEZNQCLSA-N 1 0 304.434 2.461 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cc(Br)c[nH]c2=O)C1 ZINC000262281946 145273912 /nfs/dbraw/zinc/27/39/12/145273912.db2.gz LHPIVIACSHJOOP-IONNQARKSA-N 1 0 314.183 2.006 10 0 DEAERO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000262301493 145275318 /nfs/dbraw/zinc/27/53/18/145275318.db2.gz KUJQRWSHGHTQRT-BZNIZROVSA-N 1 0 311.376 2.177 10 0 DEAERO [NH3+]CC1(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000262416143 145282921 /nfs/dbraw/zinc/28/29/21/145282921.db2.gz ZSEKVZFQLGQWCQ-NEPJUHHUSA-N 1 0 322.371 2.227 10 0 DEAERO Cc1noc(C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)n1 ZINC000262434238 145283261 /nfs/dbraw/zinc/28/32/61/145283261.db2.gz KYBYZGHOYOKQAK-ZNMIVQPWSA-N 1 0 318.421 2.005 10 0 DEAERO CC(C)c1ccc(NC(=O)CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000262443408 145284413 /nfs/dbraw/zinc/28/44/13/145284413.db2.gz GZPYJMMUYVIBRD-NVXWUHKLSA-N 1 0 301.434 2.432 10 0 DEAERO O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000262469863 145286089 /nfs/dbraw/zinc/28/60/89/145286089.db2.gz JEMAWBMCBIERFW-IKGGRYGDSA-N 1 0 302.418 2.413 10 0 DEAERO CC(=O)Nc1nc2ccc(NC(=O)[C@@H](C)C3C[NH2+]C3)cc2s1 ZINC000262530138 145290613 /nfs/dbraw/zinc/29/06/13/145290613.db2.gz LXWFXSUECJRQRW-QMMMGPOBSA-N 1 0 318.402 2.049 10 0 DEAERO Cc1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000262553499 145291852 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C[NH2+]C1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000262745024 145302646 /nfs/dbraw/zinc/30/26/46/145302646.db2.gz DITRUWGFGBUPQQ-UHFFFAOYSA-N 1 0 323.245 2.366 10 0 DEAERO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1c1ccco1 ZINC000262729738 145302319 /nfs/dbraw/zinc/30/23/19/145302319.db2.gz HWASZVRUAZYMTQ-ZFWWWQNUSA-N 1 0 314.389 2.378 10 0 DEAERO C[C@@H]1C[C@H](NC(=O)C2=Cc3cc(Cl)ccc3OC2)CC[NH2+]1 ZINC000262952251 145313689 /nfs/dbraw/zinc/31/36/89/145313689.db2.gz VNEFXCRMXJVJLY-QMTHXVAHSA-N 1 0 306.793 2.373 10 0 DEAERO C[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000263225731 145338372 /nfs/dbraw/zinc/33/83/72/145338372.db2.gz GKQLUFHEQQVAHS-IBGZPJMESA-N 1 0 323.440 2.468 10 0 DEAERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(S(C)(=O)=O)cc1F ZINC000313429272 145355386 /nfs/dbraw/zinc/35/53/86/145355386.db2.gz YPECHSBYYOCWPJ-ZDUSSCGKSA-N 1 0 302.415 2.039 10 0 DEAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000332733609 145386836 /nfs/dbraw/zinc/38/68/36/145386836.db2.gz 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CC(C)[C@@H](c1ccccc1)N(C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000112749136 401757592 /nfs/dbraw/zinc/75/75/92/401757592.db2.gz OSGGOCOAVCVGEL-IRXDYDNUSA-N 1 0 319.449 2.356 10 0 DEAERO CN1CCO[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000112838856 401759189 /nfs/dbraw/zinc/75/91/89/401759189.db2.gz MMEPZULRYCDOET-LBPRGKRZSA-N 1 0 320.767 2.362 10 0 DEAERO CCc1cnc(CCNC(=O)N2CC[C@H]([NH+](CC)CC)C2)s1 ZINC000075813117 401769012 /nfs/dbraw/zinc/76/90/12/401769012.db2.gz RLGVLPSLOCDOLM-ZDUSSCGKSA-N 1 0 324.494 2.374 10 0 DEAERO CC(C)CCOCCNC(=O)C[N@H+](C(C)C)C1CCOCC1 ZINC000077322673 401810014 /nfs/dbraw/zinc/81/00/14/401810014.db2.gz FSZFIORQZSCPOG-UHFFFAOYSA-N 1 0 314.470 2.055 10 0 DEAERO CC(=O)Nc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)ccc1F ZINC000113222349 401770526 /nfs/dbraw/zinc/77/05/26/401770526.db2.gz GUZUTMGWBAYIFB-BXUZGUMPSA-N 1 0 319.380 2.093 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc(-c2ccccc2)nc1 ZINC000113226949 401770936 /nfs/dbraw/zinc/77/09/36/401770936.db2.gz GBAOJSKYQZLVTB-RHSMWYFYSA-N 1 0 322.412 2.452 10 0 DEAERO Cc1cccc(O[C@H](C)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113229473 401771212 /nfs/dbraw/zinc/77/12/12/401771212.db2.gz LWNKIBRCIKFMMG-ARFHVFGLSA-N 1 0 302.418 2.457 10 0 DEAERO Cc1cnn(-c2ccc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)cc2)c1 ZINC000113228688 401771601 /nfs/dbraw/zinc/77/16/01/401771601.db2.gz HKUKQUPTAHLDAL-MAUKXSAKSA-N 1 0 324.428 2.489 10 0 DEAERO CCCN(CCC)C(=O)CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113231148 401771747 /nfs/dbraw/zinc/77/17/47/401771747.db2.gz BEYHPDZSJHYGMS-JKSUJKDBSA-N 1 0 323.481 2.110 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1cccc(F)c1 ZINC000113268636 401773897 /nfs/dbraw/zinc/77/38/97/401773897.db2.gz VTGJUNWJSDEOIP-CZUORRHYSA-N 1 0 305.397 2.323 10 0 DEAERO COC(=O)c1cc(F)ccc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113270681 401773961 /nfs/dbraw/zinc/77/39/61/401773961.db2.gz QCNFLFJWYHDIDU-SWLSCSKDSA-N 1 0 306.381 2.281 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(F)ccc1F ZINC000113271260 401774290 /nfs/dbraw/zinc/77/42/90/401774290.db2.gz JOQPEJPZIYAPFF-WCQYABFASA-N 1 0 309.360 2.072 10 0 DEAERO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000113305866 401776368 /nfs/dbraw/zinc/77/63/68/401776368.db2.gz JFTYEHIXZOKDOJ-GJZGRUSLSA-N 1 0 308.447 2.161 10 0 DEAERO C[C@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000128463773 401778167 /nfs/dbraw/zinc/77/81/67/401778167.db2.gz OFUOZBBBSVRTFO-BJJXKVORSA-N 1 0 313.825 2.232 10 0 DEAERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCc1ccccc1F ZINC000128476482 401778344 /nfs/dbraw/zinc/77/83/44/401778344.db2.gz UZJGQYMLTKDXSE-QAPCUYQASA-N 1 0 320.408 2.069 10 0 DEAERO C[NH+](C)C[C@H]1CCN(C(=O)c2coc(Br)c2)C1 ZINC000113451576 401779417 /nfs/dbraw/zinc/77/94/17/401779417.db2.gz INSBBKHTCDIHSF-SECBINFHSA-N 1 0 301.184 2.066 10 0 DEAERO CCc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)n1 ZINC000128593018 401784651 /nfs/dbraw/zinc/78/46/51/401784651.db2.gz GQPSTZVZUXEMHK-ZIAGYGMSSA-N 1 0 301.394 2.215 10 0 DEAERO COc1ccccc1CCNC(=O)C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000076149379 401785237 /nfs/dbraw/zinc/78/52/37/401785237.db2.gz NLPSCRKAWCDBGZ-GJZGRUSLSA-N 1 0 304.434 2.474 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccccc2F)CC1 ZINC000128634783 401786031 /nfs/dbraw/zinc/78/60/31/401786031.db2.gz OGHYLDOZEUGEQQ-UHFFFAOYSA-N 1 0 321.396 2.002 10 0 DEAERO O=C(C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)NC1CCOCC1 ZINC000076292548 401788984 /nfs/dbraw/zinc/78/89/84/401788984.db2.gz GFMAMLZUDPZUBK-KRWDZBQOSA-N 1 0 320.408 2.128 10 0 DEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CSCc1cccnc1 ZINC000077730644 401827645 /nfs/dbraw/zinc/82/76/45/401827645.db2.gz MDMBJAAIIHSTFQ-HNNXBMFYSA-N 1 0 309.479 2.407 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@](C)(O)CCC(C)C ZINC000077826000 401833978 /nfs/dbraw/zinc/83/39/78/401833978.db2.gz DMZPSZGQIMHLKT-NVXWUHKLSA-N 1 0 313.486 2.347 10 0 DEAERO C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccn1 ZINC000079206692 401871329 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Cc1cc(C)cc([C@@H](C)NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000117047445 401867522 /nfs/dbraw/zinc/86/75/22/401867522.db2.gz AKBIHHPZVSVTTM-NVXWUHKLSA-N 1 0 319.449 2.336 10 0 DEAERO CC(C)NC(=O)CCN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000077371497 401813042 /nfs/dbraw/zinc/81/30/42/401813042.db2.gz OCTMQRHNKVAZGW-KRWDZBQOSA-N 1 0 317.477 2.498 10 0 DEAERO COC(=O)CC[C@H]1CN(Cc2cccc(O)c2)CC[C@H]1[NH+](C)C ZINC000014954651 401814750 /nfs/dbraw/zinc/81/47/50/401814750.db2.gz CYCPPWMTDAHTSE-DOTOQJQBSA-N 1 0 320.433 2.098 10 0 DEAERO Cc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)c(Br)c1 ZINC000119091902 401925305 /nfs/dbraw/zinc/92/53/05/401925305.db2.gz MDNBGXWBQVALJD-CYBMUJFWSA-N 1 0 313.239 2.178 10 0 DEAERO CN1CCO[C@@H](C[NH2+]Cc2cccn2Cc2cccs2)C1 ZINC000119089499 401925329 /nfs/dbraw/zinc/92/53/29/401925329.db2.gz ZARXGJMQFXHUHE-HNNXBMFYSA-N 1 0 305.447 2.018 10 0 DEAERO Cc1cc(I)ccc1N1CC[NH+](C)CC1 ZINC000087493492 401931981 /nfs/dbraw/zinc/93/19/81/401931981.db2.gz HEFNBSPKSURLMR-UHFFFAOYSA-N 1 0 316.186 2.351 10 0 DEAERO CC[C@@H]1CN(C(=O)CCc2ccccc2)CC[N@@H+]1CCOC ZINC000117308450 401874225 /nfs/dbraw/zinc/87/42/25/401874225.db2.gz SBDHYTCKNOGREY-QGZVFWFLSA-N 1 0 304.434 2.188 10 0 DEAERO CCCN(CC(F)(F)F)C(=O)COc1ccccc1C[NH3+] ZINC000042737760 401934511 /nfs/dbraw/zinc/93/45/11/401934511.db2.gz VEOHHBVGDVHZPZ-UHFFFAOYSA-N 1 0 304.312 2.325 10 0 DEAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(C)sc1C ZINC000032072684 401875919 /nfs/dbraw/zinc/87/59/19/401875919.db2.gz FZVVZHYCVVFAFK-SNVBAGLBSA-N 1 0 304.481 2.374 10 0 DEAERO CCCCCCNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000079566662 401877109 /nfs/dbraw/zinc/87/71/09/401877109.db2.gz SVKVLGAMDARKPI-OAHLLOKOSA-N 1 0 311.470 2.461 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000032665093 401881720 /nfs/dbraw/zinc/88/17/20/401881720.db2.gz RXOBRNFWZNIDLM-GFCCVEGCSA-N 1 0 324.421 2.173 10 0 DEAERO CC[N@H+](C)[C@H](C(=O)NCCn1cc(C)cn1)c1ccccc1 ZINC000117809955 401885509 /nfs/dbraw/zinc/88/55/09/401885509.db2.gz 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CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCCc1nc(C2CC2)no1 ZINC000176983885 402357163 /nfs/dbraw/zinc/35/71/63/402357163.db2.gz BLDIWXUMWTTWRF-CQSZACIVSA-N 1 0 320.437 2.212 10 0 DEAERO COC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CCCCC1 ZINC000185897454 402387712 /nfs/dbraw/zinc/38/77/12/402387712.db2.gz MKYRSROJPTURKX-CABCVRRESA-N 1 0 311.470 2.460 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)COc1cccc(OC)c1 ZINC000177010767 402359211 /nfs/dbraw/zinc/35/92/11/402359211.db2.gz VIZQEODSAWBFHW-CQSZACIVSA-N 1 0 306.406 2.017 10 0 DEAERO COc1ccc(F)cc1CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000185603294 402365004 /nfs/dbraw/zinc/36/50/04/402365004.db2.gz CZSWXRFPPSPMFF-HNNXBMFYSA-N 1 0 310.413 2.469 10 0 DEAERO COc1c(C[NH+]2CCC(O)(c3ccccc3)CC2)c(C)nn1C ZINC000185640229 402366591 /nfs/dbraw/zinc/36/65/91/402366591.db2.gz SZPWBHLEQMSKCE-UHFFFAOYSA-N 1 0 315.417 2.221 10 0 DEAERO COCCC(C)(C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000185721570 402371269 /nfs/dbraw/zinc/37/12/69/402371269.db2.gz 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COc1cccc(F)c1[C@@H](C)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237282567 402402385 /nfs/dbraw/zinc/40/23/85/402402385.db2.gz FWEMQZKWKBMAOT-GHMZBOCLSA-N 1 0 312.410 2.107 10 0 DEAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([S@](C)=O)cc1 ZINC000177457806 402404359 /nfs/dbraw/zinc/40/43/59/402404359.db2.gz XAUMTIOJEMULBY-XMHCIUCPSA-N 1 0 323.462 2.420 10 0 DEAERO COc1cccc(CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000237352397 402405757 /nfs/dbraw/zinc/40/57/57/402405757.db2.gz GGHFDBPMOYDNKT-XYPWUTKMSA-N 1 0 302.418 2.369 10 0 DEAERO CCc1nc(CNC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)cs1 ZINC000177497510 402409376 /nfs/dbraw/zinc/40/93/76/402409376.db2.gz WTDTVIQCXLPJAQ-ZDUSSCGKSA-N 1 0 310.467 2.331 10 0 DEAERO CCC[C@H](C(=O)NC1CCN(c2cccc(C)n2)CC1)[NH+](C)C ZINC000162183668 402412622 /nfs/dbraw/zinc/41/26/22/402412622.db2.gz ZEDZUWUIGPXMJG-MRXNPFEDSA-N 1 0 318.465 2.205 10 0 DEAERO COC(=O)c1ccc(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000163474615 402450254 /nfs/dbraw/zinc/45/02/54/402450254.db2.gz 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ODFOUGHEWJJGJI-ZDUSSCGKSA-N 1 0 300.362 2.229 10 0 DEAERO O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cocn2)C1 ZINC000191938173 402699517 /nfs/dbraw/zinc/69/95/17/402699517.db2.gz YLHXOIRQDURABS-ZDUSSCGKSA-N 1 0 304.325 2.210 10 0 DEAERO Cc1ccc(OC2CC[NH+]([C@H]3CCN(C(C)C)C3=O)CC2)nc1 ZINC000182840999 402720836 /nfs/dbraw/zinc/72/08/36/402720836.db2.gz MQFLGAVHONNCCY-INIZCTEOSA-N 1 0 317.433 2.243 10 0 DEAERO Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261964482 402720886 /nfs/dbraw/zinc/72/08/86/402720886.db2.gz PYEPHYSXRXCDEE-RCCFBDPRSA-N 1 0 306.425 2.423 10 0 DEAERO CCOC(=O)c1csc([C@@H]2CCCN2C[C@]2(C)CC[NH2+]C2)n1 ZINC000261986683 402720940 /nfs/dbraw/zinc/72/09/40/402720940.db2.gz JVWPTIRPKKBTSR-XJKSGUPXSA-N 1 0 323.462 2.456 10 0 DEAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000191993003 402703174 /nfs/dbraw/zinc/70/31/74/402703174.db2.gz VSITUUYQNBIKEP-QWRGUYRKSA-N 1 0 314.788 2.444 10 0 DEAERO C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc2ccccc2n1 ZINC000182954694 402729353 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O=C(CC[N@@H+]1CCCN(c2ccccn2)CC1)NC1CCCC1 ZINC000183777144 402797197 /nfs/dbraw/zinc/79/71/97/402797197.db2.gz AZJBUODUSAPQLF-UHFFFAOYSA-N 1 0 316.449 2.043 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000175341409 402798515 /nfs/dbraw/zinc/79/85/15/402798515.db2.gz VYGNXUJXTFPUJP-RDJZCZTQSA-N 1 0 315.461 2.380 10 0 DEAERO O=C(CCCOc1ccccc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195336852 402842413 /nfs/dbraw/zinc/84/24/13/402842413.db2.gz OTZHUGCFSBYELO-CQSZACIVSA-N 1 0 306.381 2.291 10 0 DEAERO CCCO[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000175368402 402800719 /nfs/dbraw/zinc/80/07/19/402800719.db2.gz BPCWJPTUDPLJTD-JKSUJKDBSA-N 1 0 311.470 2.461 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(F)ccc1F ZINC000175393054 402802695 /nfs/dbraw/zinc/80/26/95/402802695.db2.gz VKXFSRJQAJTWJA-LBPRGKRZSA-N 1 0 318.389 2.070 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)Cc1ccc(F)cc1 ZINC000175399692 402803035 /nfs/dbraw/zinc/80/30/35/402803035.db2.gz YCWQUWYCLCAEKF-HNNXBMFYSA-N 1 0 314.426 2.072 10 0 DEAERO CCOCC[N@@H+]1CCN(C(=O)CCc2ccoc2)C[C@@H]1CC ZINC000175420595 402805532 /nfs/dbraw/zinc/80/55/32/402805532.db2.gz VKLOGXIWVUXPGN-INIZCTEOSA-N 1 0 308.422 2.172 10 0 DEAERO COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CN(C)CCO3)oc21 ZINC000175424536 402806042 /nfs/dbraw/zinc/80/60/42/402806042.db2.gz BXRBPTORODVYKP-OCCSQVGLSA-N 1 0 304.390 2.423 10 0 DEAERO CCC1(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCC1 ZINC000175466764 402809013 /nfs/dbraw/zinc/80/90/13/402809013.db2.gz RHTMTXWLWXERHJ-UHFFFAOYSA-N 1 0 315.461 2.497 10 0 DEAERO Cc1ccc(-c2nc(CC(=O)NC[C@@H]3CCC[N@H+]3C)cs2)o1 ZINC000194704514 402811934 /nfs/dbraw/zinc/81/19/34/402811934.db2.gz GLLVSUYIKGQCRM-ZDUSSCGKSA-N 1 0 319.430 2.464 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ncccc1Br ZINC000194902338 402821688 /nfs/dbraw/zinc/82/16/88/402821688.db2.gz UVLPXNXZUVDRTA-WDEREUQCSA-N 1 0 324.222 2.153 10 0 DEAERO COc1cc(C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)ccc1O ZINC000194977047 402824901 /nfs/dbraw/zinc/82/49/01/402824901.db2.gz XSQBAVHEWBGLBP-AWEZNQCLSA-N 1 0 312.369 2.296 10 0 DEAERO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)ccc1O ZINC000194973449 402825022 /nfs/dbraw/zinc/82/50/22/402825022.db2.gz ZMUGHDCNFVEIQA-CYBMUJFWSA-N 1 0 303.362 2.472 10 0 DEAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184244237 402830145 /nfs/dbraw/zinc/83/01/45/402830145.db2.gz NRVXPPYUMNQQEN-ZDUSSCGKSA-N 1 0 319.453 2.091 10 0 DEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cnc(OCC3CC3)c(Cl)c2)C1 ZINC000184244979 402830231 /nfs/dbraw/zinc/83/02/31/402830231.db2.gz PEGAWCMFKVQICN-CYBMUJFWSA-N 1 0 323.824 2.300 10 0 DEAERO Cc1cccc(OCCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000195223898 402837952 /nfs/dbraw/zinc/83/79/52/402837952.db2.gz JSAAGNCEEIBHRY-INIZCTEOSA-N 1 0 317.433 2.254 10 0 DEAERO C[C@H]1CCCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000184376805 402838920 /nfs/dbraw/zinc/83/89/20/402838920.db2.gz XLXUSASBNHIDRU-HNNXBMFYSA-N 1 0 316.449 2.096 10 0 DEAERO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)[C@@H]1c1cccc(F)c1 ZINC000175147603 402783537 /nfs/dbraw/zinc/78/35/37/402783537.db2.gz FHWOSXPYLYQAPN-COXVUDFISA-N 1 0 303.381 2.466 10 0 DEAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000183659761 402786470 /nfs/dbraw/zinc/78/64/70/402786470.db2.gz RRMZYRZHWKKCEW-KXBFYZLASA-N 1 0 324.424 2.283 10 0 DEAERO CC[N@H+](CC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F)C1CC1 ZINC000271502054 402876881 /nfs/dbraw/zinc/87/68/81/402876881.db2.gz ZARBIBRRZFVVPH-CJNGLKHVSA-N 1 0 324.371 2.083 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000279409335 402939732 /nfs/dbraw/zinc/93/97/32/402939732.db2.gz DPSYNNISBRKVJX-UHFFFAOYSA-N 1 0 317.433 2.131 10 0 DEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCc2c1cccc2O ZINC000266126992 402966846 /nfs/dbraw/zinc/96/68/46/402966846.db2.gz QGRRWUPHCZUXAW-IOASZLSFSA-N 1 0 315.417 2.258 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000279346716 402932974 /nfs/dbraw/zinc/93/29/74/402932974.db2.gz STEAFLJXPDIAQA-INIZCTEOSA-N 1 0 317.433 2.226 10 0 DEAERO CC(C)c1nn(C)cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000280823193 403040534 /nfs/dbraw/zinc/04/05/34/403040534.db2.gz UGSDYQQQHOICNJ-OLZOCXBDSA-N 1 0 307.442 2.490 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCc3c2cccc3O)C[N@@H+]1C1CC1 ZINC000267864334 403040793 /nfs/dbraw/zinc/04/07/93/403040793.db2.gz JSJGRZNKNZHLMD-HSMVNMDESA-N 1 0 315.417 2.304 10 0 DEAERO C[C@H](CC[NH2+]Cc1ncc(Cl)n1C)NC(=O)OC(C)(C)C ZINC000281828433 403095903 /nfs/dbraw/zinc/09/59/03/403095903.db2.gz XMKLPVLLJHNYKG-SNVBAGLBSA-N 1 0 316.833 2.466 10 0 DEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000282361474 403146762 /nfs/dbraw/zinc/14/67/62/403146762.db2.gz NHVRDBYZWMLTTP-GMSGAONNSA-N 1 0 303.225 2.267 10 0 DEAERO C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cn[nH]c1 ZINC000285084453 403277638 /nfs/dbraw/zinc/27/76/38/403277638.db2.gz JSWBJIXJABRAMI-CRAIPNDOSA-N 1 0 314.433 2.351 10 0 DEAERO Cn1cc([C@@H](CNc2ncnc3ccc(F)cc32)[NH+](C)C)cn1 ZINC000301296220 403612485 /nfs/dbraw/zinc/61/24/85/403612485.db2.gz RWDJMOMOGKNNDG-OAHLLOKOSA-N 1 0 314.368 2.217 10 0 DEAERO CCn1nccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000332950422 403639726 /nfs/dbraw/zinc/63/97/26/403639726.db2.gz VISCKNCJCNIZMC-HOCLYGCPSA-N 1 0 313.405 2.470 10 0 DEAERO C[N@@H+]1CCO[C@H]2CN(c3ncc(C(F)(F)F)cc3Cl)C[C@H]21 ZINC000301687378 403664683 /nfs/dbraw/zinc/66/46/83/403664683.db2.gz XINDXLXIRQUEKH-MNOVXSKESA-N 1 0 321.730 2.273 10 0 DEAERO Cc1ccnc(-c2cccc(NC(=O)N3CC[NH2+]C[C@H]3C)c2)n1 ZINC000333115974 403669295 /nfs/dbraw/zinc/66/92/95/403669295.db2.gz HIBMWWSISOIDRJ-CYBMUJFWSA-N 1 0 311.389 2.278 10 0 DEAERO Cc1cc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc[nH+]1 ZINC000302217710 403709009 /nfs/dbraw/zinc/70/90/09/403709009.db2.gz KBVAUQYCUYQJAH-RTBURBONSA-N 1 0 309.413 2.480 10 0 DEAERO Cc1c(NC(=O)N(C)[C@H]2CCC[NH2+]CC2)cnn1CC(C)C ZINC000333129829 403672908 /nfs/dbraw/zinc/67/29/08/403672908.db2.gz HSFHVAREJMPJPK-AWEZNQCLSA-N 1 0 307.442 2.453 10 0 DEAERO CCCc1cc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)n(C)n1 ZINC000333192855 403689896 /nfs/dbraw/zinc/68/98/96/403689896.db2.gz VNQIVSLYTGNXMT-OAHLLOKOSA-N 1 0 319.453 2.369 10 0 DEAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H](c3cccnc3)C3CC3)C[C@@H]21 ZINC000333496875 403766341 /nfs/dbraw/zinc/76/63/41/403766341.db2.gz CXMDICACEUVSSL-YYIAUSFCSA-N 1 0 314.433 2.302 10 0 DEAERO COc1ccc([C@H](C)NC(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000333288674 403717668 /nfs/dbraw/zinc/71/76/68/403717668.db2.gz NZYCOAXGTHHZFM-ZDUSSCGKSA-N 1 0 303.406 2.294 10 0 DEAERO COc1cc(OC)c2ncnc(N(C)[C@@H]3CCC[N@H+](C)C3)c2c1 ZINC000302739778 403719310 /nfs/dbraw/zinc/71/93/10/403719310.db2.gz QFNSSUDNVARSSY-GFCCVEGCSA-N 1 0 316.405 2.177 10 0 DEAERO c1ncc(N2CC[NH+]3CCC2CC3)nc1OCC1CCCC1 ZINC000302761384 403722424 /nfs/dbraw/zinc/72/24/24/403722424.db2.gz KFUORTYVRMJZCR-UHFFFAOYSA-N 1 0 302.422 2.330 10 0 DEAERO COCCC1(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCCC1 ZINC000333361966 403734438 /nfs/dbraw/zinc/73/44/38/403734438.db2.gz LDZGKQSCHKOWDQ-UHFFFAOYSA-N 1 0 323.481 2.368 10 0 DEAERO c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333686486 403816062 /nfs/dbraw/zinc/81/60/62/403816062.db2.gz FRPHJIAFPDYUOZ-AAEUAGOBSA-N 1 0 301.419 2.205 10 0 DEAERO CC(=O)[C@](C)(O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000347725372 403828583 /nfs/dbraw/zinc/82/85/83/403828583.db2.gz JHVFRKNDEBQMMQ-CYBMUJFWSA-N 1 0 300.196 2.221 10 0 DEAERO Cc1cncc(-c2nc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3C)no2)c1 ZINC000333541107 403776621 /nfs/dbraw/zinc/77/66/21/403776621.db2.gz LCDOJDZSBPLHCX-ZFWWWQNUSA-N 1 0 313.405 2.109 10 0 DEAERO CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)s1 ZINC000333728302 403834784 /nfs/dbraw/zinc/83/47/84/403834784.db2.gz VRSTVIOKDKJERD-LLVKDONJSA-N 1 0 316.492 2.466 10 0 DEAERO CCO[C@@H]1C[C@H]([NH2+]CCN(C)C2CCCC2)C12CCOCC2 ZINC000186323632 286386117 /nfs/dbraw/zinc/38/61/17/286386117.db2.gz HOARIGLLWSOKFP-DLBZAZTESA-N 1 0 310.482 2.425 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@H]12 ZINC000333880794 403896361 /nfs/dbraw/zinc/89/63/61/403896361.db2.gz DKPXYOTYWSRMIY-CWRNSKLLSA-N 1 0 321.428 2.201 10 0 DEAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nnnn3CC1)CCC2 ZINC000333759757 403849659 /nfs/dbraw/zinc/84/96/59/403849659.db2.gz PABDHMMNOYGGTF-CZUORRHYSA-N 1 0 313.405 2.054 10 0 DEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000333792121 403862274 /nfs/dbraw/zinc/86/22/74/403862274.db2.gz GISXHNCNUFCMAY-IAGOWNOFSA-N 1 0 316.449 2.415 10 0 DEAERO CC(C)C[C@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000333861985 403889847 /nfs/dbraw/zinc/88/98/47/403889847.db2.gz SIGXUIOVHGTSAP-CABCVRRESA-N 1 0 309.454 2.118 10 0 DEAERO NC(=O)CC1([NH2+]Cc2ccc(Br)s2)CCC1 ZINC000336680644 403912000 /nfs/dbraw/zinc/91/20/00/403912000.db2.gz OFIWVDVVEBEELZ-UHFFFAOYSA-N 1 0 303.225 2.398 10 0 DEAERO CNC(=O)[C@@H]([NH2+]Cc1sccc1Br)C(C)C ZINC000336772050 403916849 /nfs/dbraw/zinc/91/68/49/403916849.db2.gz VBNSJZVHOKQOFG-JTQLQIEISA-N 1 0 305.241 2.371 10 0 DEAERO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)CCCO)cc1 ZINC000369074309 403958031 /nfs/dbraw/zinc/95/80/31/403958031.db2.gz FSJJVRAPEBBWEV-KRWDZBQOSA-N 1 0 320.433 2.063 10 0 DEAERO O[C@H](C[NH2+]CCn1cc(Br)cn1)CC1CCCC1 ZINC000310885769 403968341 /nfs/dbraw/zinc/96/83/41/403968341.db2.gz JFODNMNJOCMUNN-ZDUSSCGKSA-N 1 0 316.243 2.176 10 0 DEAERO O[C@H](C[NH2+][C@H]1CCC[C@@H]1O)COc1c(Cl)cccc1Cl ZINC000323554254 404093228 /nfs/dbraw/zinc/09/32/28/404093228.db2.gz PEXXVMGIYLUXSK-ICCXJUOJSA-N 1 0 320.216 2.236 10 0 DEAERO C[NH+](C)[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000170855599 289381766 /nfs/dbraw/zinc/38/17/66/289381766.db2.gz RJEQMIOTWJEEMR-INIZCTEOSA-N 1 0 320.408 2.036 10 0 DEAERO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccs2)C1 ZINC000328551162 404109347 /nfs/dbraw/zinc/10/93/47/404109347.db2.gz TXBVBIRFWJWIJG-NSHDSACASA-N 1 0 308.428 2.074 10 0 DEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000328861360 404162966 /nfs/dbraw/zinc/16/29/66/404162966.db2.gz ARWLBJJDZYVCNF-OLFUQESBSA-N 1 0 321.465 2.367 10 0 DEAERO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(F)(F)F ZINC000369612371 404165765 /nfs/dbraw/zinc/16/57/65/404165765.db2.gz HQFITJQWJGGFJA-LBPRGKRZSA-N 1 0 318.343 2.016 10 0 DEAERO C/C(=C\C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(F)c1 ZINC000363515340 404170431 /nfs/dbraw/zinc/17/04/31/404170431.db2.gz FSZKSUUWFXVWGL-JQDBKHDNSA-N 1 0 318.392 2.208 10 0 DEAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000329009826 404198858 /nfs/dbraw/zinc/19/88/58/404198858.db2.gz ZKFZQYIKECJVDV-RMRHIDDWSA-N 1 0 306.410 2.133 10 0 DEAERO CN(Cc1c[nH]c(-c2ccc(Cl)cc2)n1)[C@H]1CCN(C)C1=O ZINC000363857123 404228957 /nfs/dbraw/zinc/22/89/57/404228957.db2.gz KFXDCNUVEDEAFM-AWEZNQCLSA-N 1 0 318.808 2.393 10 0 DEAERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C[C@@H]1CCCCNC1=O ZINC000329300778 404294303 /nfs/dbraw/zinc/29/43/03/404294303.db2.gz VUFXUCRZKNHWML-LSDHHAIUSA-N 1 0 309.454 2.466 10 0 DEAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)nn1 ZINC000329544931 404371672 /nfs/dbraw/zinc/37/16/72/404371672.db2.gz ZCJLXCQDRRSIEJ-WMHQRMGPSA-N 1 0 322.453 2.169 10 0 DEAERO C[C@]12CCCN1C[C@H](c1noc(CC[C@@H]3CCCCO3)n1)OC2 ZINC000329590341 404385117 /nfs/dbraw/zinc/38/51/17/404385117.db2.gz NOJNBEYRMOCPFG-JJRVBVJISA-N 1 0 321.421 2.497 10 0 DEAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccoc1C1CC1 ZINC000373846337 404611908 /nfs/dbraw/zinc/61/19/08/404611908.db2.gz TVIXCAPGLVWHQS-FVQBIDKESA-N 1 0 318.417 2.481 10 0 DEAERO CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000373914249 404637879 /nfs/dbraw/zinc/63/78/79/404637879.db2.gz XZNAUWDBBRKMLC-WCQYABFASA-N 1 0 311.344 2.211 10 0 DEAERO CN1CCC[C@@H](C[NH2+]C2CCN(C=O)CC2)[C@H]1c1cccs1 ZINC000365495675 404676082 /nfs/dbraw/zinc/67/60/82/404676082.db2.gz SDZOUARQJGJIQI-YOEHRIQHSA-N 1 0 321.490 2.341 10 0 DEAERO Brc1cnc(N2CCC(c3c[nH]cn3)CC2)nc1 ZINC000365883074 404738601 /nfs/dbraw/zinc/73/86/01/404738601.db2.gz LAXOPZWGGKEGSZ-UHFFFAOYSA-N 1 0 308.183 2.346 10 0 DEAERO CC(=O)N(Cc1ccc(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1)C1CC1 ZINC000415196312 404825961 /nfs/dbraw/zinc/82/59/61/404825961.db2.gz RJPJUAMIWOFJBI-NEPJUHHUSA-N 1 0 318.421 2.055 10 0 DEAERO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccoc3C3CC3)CC2)C1 ZINC000366944267 404877968 /nfs/dbraw/zinc/87/79/68/404877968.db2.gz CAUSEMCFGIAJAL-HNNXBMFYSA-N 1 0 317.433 2.009 10 0 DEAERO C[NH+](C)Cc1ccnc(NC(=O)Cn2ncc3ccccc32)c1 ZINC000361062678 404900167 /nfs/dbraw/zinc/90/01/67/404900167.db2.gz YGNGBHZNLBHAOU-UHFFFAOYSA-N 1 0 309.373 2.132 10 0 DEAERO CC(=O)c1cccc(O[C@@H](C)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000423986004 404960066 /nfs/dbraw/zinc/96/00/66/404960066.db2.gz RWTQMJINAOJVFZ-UVBSCNOISA-N 1 0 318.417 2.100 10 0 DEAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000434762853 404932397 /nfs/dbraw/zinc/93/23/97/404932397.db2.gz ITQITYKZRQFQLF-NVXWUHKLSA-N 1 0 321.509 2.345 10 0 DEAERO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@@](C)(O)c1ccccc1 ZINC000378561953 405001490 /nfs/dbraw/zinc/00/14/90/405001490.db2.gz JBPJIHPOSIIAHI-ZHALLVOQSA-N 1 0 316.445 2.369 10 0 DEAERO CC1CCC(O)(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000408040845 405096402 /nfs/dbraw/zinc/09/64/02/405096402.db2.gz AFTIDHSPQYCUNW-MFJUZZNBSA-N 1 0 311.466 2.180 10 0 DEAERO C[C@@]1(CNC(=O)CCCCO)CCC[N@@H+]1Cc1ccccc1 ZINC000397983320 405059413 /nfs/dbraw/zinc/05/94/13/405059413.db2.gz NBJKANGIJJNHCL-SFHVURJKSA-N 1 0 304.434 2.320 10 0 DEAERO c1nc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)oc1-c1ccccc1 ZINC000404983503 405069277 /nfs/dbraw/zinc/06/92/77/405069277.db2.gz HHWSHUZVBUHHML-CQSZACIVSA-N 1 0 309.373 2.448 10 0 DEAERO Cc1nccc(N2CC[NH+](CCCC3CCOCC3)CC2)n1 ZINC000361432565 405073000 /nfs/dbraw/zinc/07/30/00/405073000.db2.gz QGPVNDDLSGLPEY-UHFFFAOYSA-N 1 0 304.438 2.114 10 0 DEAERO COC(=O)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000361511628 405109959 /nfs/dbraw/zinc/10/99/59/405109959.db2.gz UGVNJVZFZLXCJO-GJZGRUSLSA-N 1 0 322.449 2.053 10 0 DEAERO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000408181482 405132924 /nfs/dbraw/zinc/13/29/24/405132924.db2.gz CYDPOVDIXSAITC-UXXRCYHCSA-N 1 0 309.454 2.114 10 0 DEAERO COCCN1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000361673627 405193550 /nfs/dbraw/zinc/19/35/50/405193550.db2.gz LQHASPZMTMTVON-WWDZGPRUSA-N 1 0 304.434 2.045 10 0 DEAERO CC(C)c1noc2ncc(C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cc21 ZINC000408463184 405211661 /nfs/dbraw/zinc/21/16/61/405211661.db2.gz FOFWKCZIEMTGLS-SMDDNHRTSA-N 1 0 314.389 2.122 10 0 DEAERO CC1(O)CC(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000408462160 405211923 /nfs/dbraw/zinc/21/19/23/405211923.db2.gz XYRKLOOAELSSIV-UHFFFAOYSA-N 1 0 308.466 2.310 10 0 DEAERO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCCO)C1)C1CCCC1 ZINC000368033337 405221175 /nfs/dbraw/zinc/22/11/75/405221175.db2.gz FPSWNBNWWDUVOL-CQSZACIVSA-N 1 0 320.437 2.100 10 0 DEAERO CO[C@H]1C[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C12CCC2 ZINC000453064639 405280428 /nfs/dbraw/zinc/28/04/28/405280428.db2.gz SEOPFKWTRUZOQV-HOTGVXAUSA-N 1 0 323.458 2.278 10 0 DEAERO COC(=O)CC1(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000440707029 405323537 /nfs/dbraw/zinc/32/35/37/405323537.db2.gz UDVKYGQXUFXERE-UHFFFAOYSA-N 1 0 322.449 2.054 10 0 DEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(I)cn1 ZINC000420234057 405299029 /nfs/dbraw/zinc/29/90/29/405299029.db2.gz GNSPVGRZXUYPLG-WPRPVWTQSA-N 1 0 317.174 2.096 10 0 DEAERO CC(=O)N(C)c1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000426764599 405378284 /nfs/dbraw/zinc/37/82/84/405378284.db2.gz XLASIJHBBLIGLO-ZDUSSCGKSA-N 1 0 319.449 2.375 10 0 DEAERO CCN(Cc1ccoc1)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638446731 405475210 /nfs/dbraw/zinc/47/52/10/405475210.db2.gz ZLQUJLZOZNZEQE-KRWDZBQOSA-N 1 0 315.417 2.087 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000577816113 405517549 /nfs/dbraw/zinc/51/75/49/405517549.db2.gz GAGWYPYHKLHPKA-AAEUAGOBSA-N 1 0 323.418 2.115 10 0 DEAERO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCN2CCCO)cc1 ZINC000449389805 405538370 /nfs/dbraw/zinc/53/83/70/405538370.db2.gz UCOVVYKTVAAZGR-DOTOQJQBSA-N 1 0 306.450 2.063 10 0 DEAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(Br)ccc1F ZINC000638569327 405549226 /nfs/dbraw/zinc/54/92/26/405549226.db2.gz YZMNPJKQJDHLAS-NWDGAFQWSA-N 1 0 315.186 2.459 10 0 DEAERO CCc1noc(C)c1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458823111 405611605 /nfs/dbraw/zinc/61/16/05/405611605.db2.gz YKHIPKBSAZZZMS-ZDUSSCGKSA-N 1 0 308.426 2.077 10 0 DEAERO O=C(NCC1(O)CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557630802 405614939 /nfs/dbraw/zinc/61/49/39/405614939.db2.gz JHXCYNNFDRQKRT-QGZVFWFLSA-N 1 0 316.445 2.320 10 0 DEAERO COc1nsc(C[NH2+]CC(C)(C)OC)c1Br ZINC000638702814 405626049 /nfs/dbraw/zinc/62/60/49/405626049.db2.gz SLDDHWJHPIICQT-UHFFFAOYSA-N 1 0 309.229 2.429 10 0 DEAERO COc1nsc(C[NH2+]C[C@](C)(O)C(C)C)c1Br ZINC000638626417 405579470 /nfs/dbraw/zinc/57/94/70/405579470.db2.gz LYVQZSLZAOCLTI-NSHDSACASA-N 1 0 323.256 2.411 10 0 DEAERO C[C@@H]1CC(F)(F)CCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638629176 405581145 /nfs/dbraw/zinc/58/11/45/405581145.db2.gz FRUOMVXTPWKODQ-IWSPIJDZSA-N 1 0 300.271 2.031 10 0 DEAERO C[C@@H]1CC[C@H](NC(=O)Cc2cccc(Br)c2)C[NH2+]1 ZINC000638651809 405595651 /nfs/dbraw/zinc/59/56/51/405595651.db2.gz HAQDKMXRFZMRNZ-MFKMUULPSA-N 1 0 311.223 2.248 10 0 DEAERO COc1nsc(C[NH2+][C@@H](C)CCCO)c1Br ZINC000638765014 405656769 /nfs/dbraw/zinc/65/67/69/405656769.db2.gz HXYDZNKZGOWYRU-ZETCQYMHSA-N 1 0 309.229 2.165 10 0 DEAERO Cn1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]3C3CCC3)C2=O)n1 ZINC000558696371 405691606 /nfs/dbraw/zinc/69/16/06/405691606.db2.gz UHUGSZYLQONHLW-ZNMIVQPWSA-N 1 0 302.422 2.084 10 0 DEAERO C[C@H]1CN(C(=O)c2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000638888158 405742672 /nfs/dbraw/zinc/74/26/72/405742672.db2.gz NCENBPLELTVDAQ-IUCAKERBSA-N 1 0 315.186 2.255 10 0 DEAERO O[C@]1(c2cn[nH]n2)CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000583617303 405774950 /nfs/dbraw/zinc/77/49/50/405774950.db2.gz DKBQYIXTUDVDML-QGZVFWFLSA-N 1 0 310.357 2.158 10 0 DEAERO CC(C)c1nnc(CN2CC[NH+](CC3CCOCC3)CC2)s1 ZINC000450423551 405889446 /nfs/dbraw/zinc/88/94/46/405889446.db2.gz XJNSNVYOJZVECY-UHFFFAOYSA-N 1 0 324.494 2.206 10 0 DEAERO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCCC2CC2)C1 ZINC000530600102 405831593 /nfs/dbraw/zinc/83/15/93/405831593.db2.gz BCSMZSFQKBNTQU-INIZCTEOSA-N 1 0 311.470 2.319 10 0 DEAERO COc1ccc([C@@H]([NH2+]C2CCC(O)CC2)c2nccn2C)cc1 ZINC000560521913 405841035 /nfs/dbraw/zinc/84/10/35/405841035.db2.gz KHIMWUJFLNKCRI-VMBOVVBDSA-N 1 0 315.417 2.411 10 0 DEAERO CCn1nncc1CN1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000459517674 405937535 /nfs/dbraw/zinc/93/75/35/405937535.db2.gz RHLAXDVRSOHINA-MRXNPFEDSA-N 1 0 313.449 2.252 10 0 DEAERO CCn1nncc1C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000459521464 405940561 /nfs/dbraw/zinc/94/05/61/405940561.db2.gz TZMAUZFEZAQPLS-CQSZACIVSA-N 1 0 306.435 2.353 10 0 DEAERO Cc1ccc(-c2cccc(C[NH2+]C[C@@H](O)Cn3ccnn3)c2)cc1 ZINC000459700568 406010396 /nfs/dbraw/zinc/01/03/96/406010396.db2.gz PUTIZCQVRWNBDU-LJQANCHMSA-N 1 0 322.412 2.404 10 0 DEAERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000451067818 406037405 /nfs/dbraw/zinc/03/74/05/406037405.db2.gz AIZDFFOWGYVSHX-ZBEGNZNMSA-N 1 0 305.353 2.002 10 0 DEAERO C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459691813 406007256 /nfs/dbraw/zinc/00/72/56/406007256.db2.gz HABBMXZKQGTJSI-OKUQKKEKSA-N 1 0 318.465 2.224 10 0 DEAERO c1cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c2c(c1)COCC2 ZINC000639434881 406087107 /nfs/dbraw/zinc/08/71/07/406087107.db2.gz RDMJCPJUSBADOY-GOSISDBHSA-N 1 0 316.445 2.056 10 0 DEAERO c1ccc(N2CC[NH+](Cc3cccc4c3CCOC4)CC2)nc1 ZINC000639447886 406092325 /nfs/dbraw/zinc/09/23/25/406092325.db2.gz RASBFFWGULVENZ-UHFFFAOYSA-N 1 0 309.413 2.477 10 0 DEAERO c1coc(C[N@H+](C[C@H]2CCCO2)C[C@@H]2CCc3ncnn32)c1 ZINC000639459997 406098532 /nfs/dbraw/zinc/09/85/32/406098532.db2.gz TXRBZQWTLVBSLC-DZGCQCFKSA-N 1 0 302.378 2.040 10 0 DEAERO CC(C)N1CC[C@@H]([N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)C1=O ZINC000532379476 406072841 /nfs/dbraw/zinc/07/28/41/406072841.db2.gz MRBZMHIEHSYGRY-HUUCEWRRSA-N 1 0 324.465 2.440 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CCc2cc(F)ccc21 ZINC000533811727 406161649 /nfs/dbraw/zinc/16/16/49/406161649.db2.gz ICMNCSSBKSZTSM-MRXNPFEDSA-N 1 0 314.364 2.041 10 0 DEAERO c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@H]1c1ccc3c(c1)OCO3)CC2 ZINC000639473997 406105519 /nfs/dbraw/zinc/10/55/19/406105519.db2.gz QVKILVXEUOGHGC-KBPBESRZSA-N 1 0 312.373 2.331 10 0 DEAERO COc1ncc(CN2CCSC[C@H]2CCO)cc1Cl ZINC000533558573 406152410 /nfs/dbraw/zinc/15/24/10/406152410.db2.gz JQAIWGAENQPZJN-LLVKDONJSA-N 1 0 302.827 2.043 10 0 DEAERO c1c2cccnc2oc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000519521848 406204069 /nfs/dbraw/zinc/20/40/69/406204069.db2.gz SDNMANNRVQHNHU-CQSZACIVSA-N 1 0 309.373 2.376 10 0 DEAERO c1c2cccnc2oc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000519521845 406204118 /nfs/dbraw/zinc/20/41/18/406204118.db2.gz SDNMANNRVQHNHU-AWEZNQCLSA-N 1 0 309.373 2.376 10 0 DEAERO Cc1cc(CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)on1 ZINC000569370878 406245745 /nfs/dbraw/zinc/24/57/45/406245745.db2.gz HJEHRTLQNDIZFU-UHFFFAOYSA-N 1 0 308.426 2.088 10 0 DEAERO CCOC[C@H](O)C[NH2+][C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000634724961 406248664 /nfs/dbraw/zinc/24/86/64/406248664.db2.gz BRUNCQQEWIFUKY-RBUKOAKNSA-N 1 0 320.477 2.418 10 0 DEAERO OC[C@H]1C[C@@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000634725225 406248826 /nfs/dbraw/zinc/24/88/26/406248826.db2.gz LGVCHPPZAKDAHY-OUAUKWLOSA-N 1 0 320.216 2.094 10 0 DEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)C(F)(F)F ZINC000634724423 406249110 /nfs/dbraw/zinc/24/91/10/406249110.db2.gz PWNLPJFHWBCGLF-BPLDGKMQSA-N 1 0 316.367 2.267 10 0 DEAERO O=C(NCc1ccc(Br)cc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634737734 406256002 /nfs/dbraw/zinc/25/60/02/406256002.db2.gz YDSSNCOIJPDAQW-WFASDCNBSA-N 1 0 323.234 2.455 10 0 DEAERO c1nc2c(ncnc2N2CCC[C@H]3C[NH2+]C[C@H]32)n1-c1ccccc1 ZINC000634810759 406295055 /nfs/dbraw/zinc/29/50/55/406295055.db2.gz HRMIZGGAXHGJTO-DZGCQCFKSA-N 1 0 320.400 2.004 10 0 DEAERO Cc1nc(CNC(=O)NCC[N@H+]2CC=C(C)CC2)sc1C ZINC000545860786 406329856 /nfs/dbraw/zinc/32/98/56/406329856.db2.gz YSJHZWPUTBDHNH-UHFFFAOYSA-N 1 0 308.451 2.211 10 0 DEAERO CCC[C@H](NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C)c1ccccc1 ZINC000488812604 406351456 /nfs/dbraw/zinc/35/14/56/406351456.db2.gz ZUVHKTHBKHPOQX-UAGQMJEPSA-N 1 0 304.434 2.347 10 0 DEAERO O=C(c1cncc(Br)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632878563 406304603 /nfs/dbraw/zinc/30/46/03/406304603.db2.gz ULNPAWYPLBSTHV-GWCFXTLKSA-N 1 0 324.222 2.058 10 0 DEAERO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CCCc2sccc21 ZINC000547361741 406402167 /nfs/dbraw/zinc/40/21/67/406402167.db2.gz DAEXAMSTHGJIPE-CQSZACIVSA-N 1 0 316.430 2.354 10 0 DEAERO C[N@H+](CCC(=O)NCC(=O)NC1CCCCC1)C1CCCCC1 ZINC000547429417 406410293 /nfs/dbraw/zinc/41/02/93/406410293.db2.gz OUDXQTRIJQZIGC-UHFFFAOYSA-N 1 0 323.481 2.206 10 0 DEAERO O=C(CCC1C[NH2+]C1)NCc1cc(Br)cs1 ZINC000637934675 406485215 /nfs/dbraw/zinc/48/52/15/406485215.db2.gz KYFGRCVHZYBOEH-UHFFFAOYSA-N 1 0 303.225 2.126 10 0 DEAERO c1c(C[N@@H+]2CCC[C@@H]2C2CCCC2)nnn1C[C@H]1CCOC1 ZINC000637966290 406500352 /nfs/dbraw/zinc/50/03/52/406500352.db2.gz XDWKADJCVXUOIR-RHSMWYFYSA-N 1 0 304.438 2.469 10 0 DEAERO COC(=O)CC1([NH2+]Cc2ccn(C3CCCC3)n2)CCOCC1 ZINC000489976370 406443385 /nfs/dbraw/zinc/44/33/85/406443385.db2.gz CNSOMEREBLDVFX-UHFFFAOYSA-N 1 0 321.421 2.200 10 0 DEAERO CC(C)CNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637872672 406456894 /nfs/dbraw/zinc/45/68/94/406456894.db2.gz QZDKSLMSRRAMRT-UHFFFAOYSA-N 1 0 303.450 2.142 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637881946 406460444 /nfs/dbraw/zinc/46/04/44/406460444.db2.gz POVNIYKXQPFJOD-AWEZNQCLSA-N 1 0 317.216 2.330 10 0 DEAERO CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637882761 406460730 /nfs/dbraw/zinc/46/07/30/406460730.db2.gz YDBRRTPXUMCPHU-NWDGAFQWSA-N 1 0 303.189 2.068 10 0 DEAERO CC(C)CC1(CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638044857 406540974 /nfs/dbraw/zinc/54/09/74/406540974.db2.gz NKPCLYJVJLALIO-KRWDZBQOSA-N 1 0 317.477 2.388 10 0 DEAERO CC(=O)N1CC[N@H+](C[C@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000638094314 406567471 /nfs/dbraw/zinc/56/74/71/406567471.db2.gz RBVVSGLSMLLGFG-DOTOQJQBSA-N 1 0 301.434 2.066 10 0 DEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N(CC1CC1)CC1CC1 ZINC000638007074 406520666 /nfs/dbraw/zinc/52/06/66/406520666.db2.gz LCGWLURUCBMLRK-GOSISDBHSA-N 1 0 315.461 2.094 10 0 DEAERO CC(=O)N(Cc1ccc(NC(=O)CCC2C[NH2+]C2)cc1)C(C)C ZINC000638008088 406520921 /nfs/dbraw/zinc/52/09/21/406520921.db2.gz WQPHRMFBXOKNEA-UHFFFAOYSA-N 1 0 317.433 2.382 10 0 DEAERO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCCC1CC1 ZINC000527329349 406619752 /nfs/dbraw/zinc/61/97/52/406619752.db2.gz LSWYIELOAOBHOC-UHFFFAOYSA-N 1 0 317.433 2.036 10 0 DEAERO COc1nsc(C[NH2+][C@@H]2CCCN(C)C2)c1Br ZINC000638408268 406753672 /nfs/dbraw/zinc/75/36/72/406753672.db2.gz FWQHKROFSZMNNB-MRVPVSSYSA-N 1 0 320.256 2.098 10 0 DEAERO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000527668144 406711864 /nfs/dbraw/zinc/71/18/64/406711864.db2.gz ZQDKWOAYWDRVRV-RYUDHWBXSA-N 1 0 302.827 2.180 10 0 DEAERO O[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NCc2cc(-c3ccco3)on2)C1 ZINC000643963456 407066214 /nfs/dbraw/zinc/06/62/14/407066214.db2.gz XLNPSFHXGZIOAT-ZNMIVQPWSA-N 1 0 317.389 2.012 10 0 DEAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H](c2ccccc2)CO1 ZINC000261835010 296871937 /nfs/dbraw/zinc/87/19/37/296871937.db2.gz UMBGLJQSTTVISR-DZUCGIPZSA-N 1 0 302.418 2.350 10 0 DEAERO C[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCC[NH3+])CC1 ZINC000237472454 287149828 /nfs/dbraw/zinc/14/98/28/287149828.db2.gz CKOYSGPRQIUSRR-ZDUSSCGKSA-N 1 0 309.841 2.284 10 0 DEAERO C[C@@H]([NH3+])c1ccc(Br)cc1N1CCn2cnnc2C1 ZINC000128928131 196004487 /nfs/dbraw/zinc/00/44/87/196004487.db2.gz YXRDLYWYCGSQEV-SECBINFHSA-N 1 0 322.210 2.081 10 0 DEAERO CC(C)([NH3+])[C@H](O)c1ncc(Br)cc1Br ZINC000129100867 196018862 /nfs/dbraw/zinc/01/88/62/196018862.db2.gz GXLLHFDAUAYKRV-MRVPVSSYSA-N 1 0 324.016 2.377 10 0 DEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc(Cl)c(CO)s1 ZINC000129141642 196022490 /nfs/dbraw/zinc/02/24/90/196022490.db2.gz KAONUZYRARTNGL-VHSXEESVSA-N 1 0 301.843 2.352 10 0 DEAERO Cc1nnc(COc2ccc(Br)c(CC[NH3+])c2)o1 ZINC000129175190 196025473 /nfs/dbraw/zinc/02/54/73/196025473.db2.gz WCXLCLDWWGORHW-UHFFFAOYSA-N 1 0 312.167 2.221 10 0 DEAERO C[NH2+][C@@H](C)c1ccc(Br)cc1-n1ccc(C(N)=O)n1 ZINC000129225124 196030114 /nfs/dbraw/zinc/03/01/14/196030114.db2.gz DYGOGVADCVJVCR-QMMMGPOBSA-N 1 0 323.194 2.014 10 0 DEAERO C[C@@]1(CNc2nc3c(Br)cccn3n2)CCC[NH2+]C1 ZINC000129397946 196044809 /nfs/dbraw/zinc/04/48/09/196044809.db2.gz MFUUYLBNZYVPLQ-CYBMUJFWSA-N 1 0 324.226 2.293 10 0 DEAERO CC(C)[C@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1cccs1 ZINC000129630536 196063134 /nfs/dbraw/zinc/06/31/34/196063134.db2.gz MOBMOFNCWQVWEE-AWEZNQCLSA-N 1 0 309.479 2.245 10 0 DEAERO COCC[NH2+]CCOc1ccc(OC)cc1Br ZINC000129643322 196064432 /nfs/dbraw/zinc/06/44/32/196064432.db2.gz HJHKZAZXDSAWFK-UHFFFAOYSA-N 1 0 304.184 2.073 10 0 DEAERO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cccc(Cl)c1C ZINC000130466088 196085442 /nfs/dbraw/zinc/08/54/42/196085442.db2.gz BEBYGDDYJBKFHQ-LLVKDONJSA-N 1 0 304.843 2.444 10 0 DEAERO [NH3+][C@H]1CCN(c2cc(-c3ccc(Br)s3)[nH]n2)C1 ZINC000130597073 196094300 /nfs/dbraw/zinc/09/43/00/196094300.db2.gz JRSTWZFYADYSGJ-ZETCQYMHSA-N 1 0 313.224 2.438 10 0 DEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(OC)ccc1C(N)=S ZINC000130663041 196099696 /nfs/dbraw/zinc/09/96/96/196099696.db2.gz FGNZGYRNNWBKHF-GFCCVEGCSA-N 1 0 307.463 2.250 10 0 DEAERO CCOC(=O)CN(C[C@H](O)COc1cccc(C)c1)C(C)(C)C ZINC000130739967 196104932 /nfs/dbraw/zinc/10/49/32/196104932.db2.gz NOSBLVQUYBSVDY-HNNXBMFYSA-N 1 0 323.433 2.398 10 0 DEAERO CC[NH2+][C@@H](Cc1nccn1C)c1ccc(Br)cn1 ZINC000130871664 196119185 /nfs/dbraw/zinc/11/91/85/196119185.db2.gz TWYPRTQPQBPRPC-LBPRGKRZSA-N 1 0 309.211 2.471 10 0 DEAERO CC(C)CCCOC[C@@H](O)C[NH2+]CC1(CO)CCCCC1 ZINC000130905875 196120595 /nfs/dbraw/zinc/12/05/95/196120595.db2.gz RMNUNDXIJYDWSO-INIZCTEOSA-N 1 0 301.471 2.333 10 0 DEAERO CC[N@H+](C)CCNC(=O)c1sc2cc(OC)ccc2c1N ZINC000131251876 196154515 /nfs/dbraw/zinc/15/45/15/196154515.db2.gz KBTUSKAYXZFBRD-UHFFFAOYSA-N 1 0 307.419 2.174 10 0 DEAERO CC(C)[C@@](C)(C[NH3+])Nc1nc2c(Br)cccn2n1 ZINC000131264322 196155012 /nfs/dbraw/zinc/15/50/12/196155012.db2.gz DGXZEZOOSCCCJX-GFCCVEGCSA-N 1 0 312.215 2.277 10 0 DEAERO [NH3+]C/C=C/CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000131270916 196156325 /nfs/dbraw/zinc/15/63/25/196156325.db2.gz JEBDKSHPWFDLPW-OWOJBTEDSA-N 1 0 312.288 2.046 10 0 DEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)Cc1cccc(F)c1F ZINC000131274208 196156466 /nfs/dbraw/zinc/15/64/66/196156466.db2.gz YODLBCBRSWWGJJ-GFCCVEGCSA-N 1 0 305.390 2.310 10 0 DEAERO [NH3+][C@@H](CSc1ncns1)c1ccc2c(c1)OCCCO2 ZINC000131325611 196160567 /nfs/dbraw/zinc/16/05/67/196160567.db2.gz XEDCJZPTVAUZDH-JTQLQIEISA-N 1 0 309.416 2.492 10 0 DEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)s1 ZINC000131751110 196195822 /nfs/dbraw/zinc/19/58/22/196195822.db2.gz QQBKZEWLDRYZHJ-QWRGUYRKSA-N 1 0 302.465 2.134 10 0 DEAERO COC[C@@H](C)[C@H](C[NH3+])N(C)Cc1ccc(Br)cc1 ZINC000131957709 196213275 /nfs/dbraw/zinc/21/32/75/196213275.db2.gz PGNNVULTHCOPIU-RISCZKNCSA-N 1 0 315.255 2.491 10 0 DEAERO CS(=O)(=O)c1ccc(Cl)c(NC[C@@H]2CCC[NH2+]C2)c1 ZINC000132066860 196223234 /nfs/dbraw/zinc/22/32/34/196223234.db2.gz BJHILFQEIIWXSK-SNVBAGLBSA-N 1 0 302.827 2.155 10 0 DEAERO CC(C)C[C@H](O)c1c(Br)cnn1CC[NH+](C)C ZINC000132155252 196230641 /nfs/dbraw/zinc/23/06/41/196230641.db2.gz YHRGLZAVELRXEE-NSHDSACASA-N 1 0 304.232 2.287 10 0 DEAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1([NH3+])CCOCC1 ZINC000132157652 196231531 /nfs/dbraw/zinc/23/15/31/196231531.db2.gz BEGZHDPVYRHVHN-UHFFFAOYSA-N 1 0 317.216 2.460 10 0 DEAERO CCCC[C@H](O)c1c(Br)cnn1CC[NH+](C)C ZINC000132190807 196233947 /nfs/dbraw/zinc/23/39/47/196233947.db2.gz ONEORZPANQHHBK-NSHDSACASA-N 1 0 304.232 2.431 10 0 DEAERO CC[NH+](CC)C[C@@H](C)Nc1nc(NC)ncc1Br ZINC000132342048 196247251 /nfs/dbraw/zinc/24/72/51/196247251.db2.gz WWZDETQELZNKHM-SECBINFHSA-N 1 0 316.247 2.423 10 0 DEAERO Nc1c2ncccc2sc1C(=O)NCC[NH+]1CCCCC1 ZINC000132220137 196236327 /nfs/dbraw/zinc/23/63/27/196236327.db2.gz JHLPVOPNMRSHBJ-UHFFFAOYSA-N 1 0 304.419 2.094 10 0 DEAERO C[C@H]1SCCN(C(=O)c2cccn2C2CC[NH2+]CC2)[C@@H]1C ZINC000132638071 196272287 /nfs/dbraw/zinc/27/22/87/196272287.db2.gz OWYYZSUFFVCUJR-CHWSQXEVSA-N 1 0 307.463 2.379 10 0 DEAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245564227 287270200 /nfs/dbraw/zinc/27/02/00/287270200.db2.gz WEGOXVASBRBSHQ-QKPAOTATSA-N 1 0 321.465 2.118 10 0 DEAERO O[C@@H](Cc1ccc(F)c(Br)c1)C1CC[NH2+]CC1 ZINC000133005195 196303702 /nfs/dbraw/zinc/30/37/02/196303702.db2.gz ALBLHHOFEMIUQA-ZDUSSCGKSA-N 1 0 302.187 2.491 10 0 DEAERO O[C@@H](Cc1ccc(F)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000133109364 196312322 /nfs/dbraw/zinc/31/23/22/196312322.db2.gz OPEHFMFXQHVIJZ-GWCFXTLKSA-N 1 0 302.187 2.491 10 0 DEAERO CCCn1ncc(Br)c1[C@@](O)(C[NH3+])C(C)(C)C ZINC000133149866 196316397 /nfs/dbraw/zinc/31/63/97/196316397.db2.gz URYZLTLFMMTYCD-LBPRGKRZSA-N 1 0 304.232 2.248 10 0 DEAERO CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1occc1C ZINC000133190136 196320366 /nfs/dbraw/zinc/32/03/66/196320366.db2.gz GANNZJBDVUVLLB-KBPBESRZSA-N 1 0 314.451 2.300 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)CCSC)o1 ZINC000133218324 196321706 /nfs/dbraw/zinc/32/17/06/196321706.db2.gz NVNAHSHTBKDSMC-LLVKDONJSA-N 1 0 320.480 2.199 10 0 DEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000133253627 196325361 /nfs/dbraw/zinc/32/53/61/196325361.db2.gz FAXURQFBWQFGSK-CYBMUJFWSA-N 1 0 310.360 2.336 10 0 DEAERO COC(=O)c1cnc(N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000133300809 196328121 /nfs/dbraw/zinc/32/81/21/196328121.db2.gz WJOCSQFDEUVWLX-UHFFFAOYSA-N 1 0 309.435 2.242 10 0 DEAERO CC(C)n1ncc(Br)c1[C@@]1(O)CCC[NH2+]CC1 ZINC000133298591 196328696 /nfs/dbraw/zinc/32/86/96/196328696.db2.gz NPJLNHBGMUNPPT-GFCCVEGCSA-N 1 0 302.216 2.188 10 0 DEAERO C[NH2+][C@@H](Cc1cc(C)ccc1OC)[C@@H]1CCCCS1(=O)=O ZINC000133306668 196329588 /nfs/dbraw/zinc/32/95/88/196329588.db2.gz KYGICFOWIPPZCC-HOCLYGCPSA-N 1 0 311.447 2.101 10 0 DEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)CCSC)o1 ZINC000133218119 196321663 /nfs/dbraw/zinc/32/16/63/196321663.db2.gz NVNAHSHTBKDSMC-NSHDSACASA-N 1 0 320.480 2.199 10 0 DEAERO CC[NH+](CC)Cc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000133943788 196347738 /nfs/dbraw/zinc/34/77/38/196347738.db2.gz LVHZOUYJABLGOV-UHFFFAOYSA-N 1 0 310.341 2.195 10 0 DEAERO C[N@@H+]1CCC[C@@H](Nc2c(Cl)cnn(CC3CCC3)c2=O)C1 ZINC000134169173 196367851 /nfs/dbraw/zinc/36/78/51/196367851.db2.gz KDPWWXQGRLNSIC-GFCCVEGCSA-N 1 0 310.829 2.203 10 0 DEAERO C[NH2+]CCOCCc1cc(OC)c(Br)cc1OC ZINC000134307799 196377344 /nfs/dbraw/zinc/37/73/44/196377344.db2.gz GNZSOZFWZICPSD-UHFFFAOYSA-N 1 0 318.211 2.245 10 0 DEAERO CCc1nn(CC)c(C[NH2+][C@H](CC)CCO)c1Br ZINC000134388679 196385386 /nfs/dbraw/zinc/38/53/86/196385386.db2.gz GWOPUFGYILWNQR-SNVBAGLBSA-N 1 0 318.259 2.479 10 0 DEAERO CC[NH2+][C@H](Cc1c(Br)c(C)nn1C)C[C@@H](C)OC ZINC000134474792 196394844 /nfs/dbraw/zinc/39/48/44/196394844.db2.gz WDTZAAFCLAKCDV-KOLCDFICSA-N 1 0 318.259 2.437 10 0 DEAERO C[C@@H]1CCC[C@](O)(C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000135306919 196462569 /nfs/dbraw/zinc/46/25/69/196462569.db2.gz RJLLAXVNJYBJTH-CZUORRHYSA-N 1 0 300.443 2.432 10 0 DEAERO CCSC[C@@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000135413235 196471666 /nfs/dbraw/zinc/47/16/66/196471666.db2.gz HBHPOFPUCHLXND-NEPJUHHUSA-N 1 0 316.492 2.387 10 0 DEAERO CCNS(=O)(=O)c1ccccc1O[C@@H]1CCCCC[C@H]1[NH3+] ZINC000136391256 196534936 /nfs/dbraw/zinc/53/49/36/196534936.db2.gz OIYUVGBFCKIZQP-CHWSQXEVSA-N 1 0 312.435 2.024 10 0 DEAERO COc1ccc(C[C@H]([NH3+])c2ccnn2C)cc1Br ZINC000137175489 196568205 /nfs/dbraw/zinc/56/82/05/196568205.db2.gz IKHHOGNYKYPDTM-NSHDSACASA-N 1 0 310.195 2.434 10 0 DEAERO CC[C@@H]1OCC[C@H]1NC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000459291952 287341436 /nfs/dbraw/zinc/34/14/36/287341436.db2.gz SIDTWABSUXENPY-CVEARBPZSA-N 1 0 311.470 2.317 10 0 DEAERO Cc1cccc(N2CC[NH+](CCCNCc3cocn3)CC2)c1 ZINC000192283117 225131349 /nfs/dbraw/zinc/13/13/49/225131349.db2.gz PWYBFQMHOJVXOE-UHFFFAOYSA-N 1 0 314.433 2.285 10 0 DEAERO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)[C@@H]1C ZINC000171707665 287470546 /nfs/dbraw/zinc/47/05/46/287470546.db2.gz GOOXELFJEVEAPE-TVFCKZIOSA-N 1 0 321.509 2.488 10 0 DEAERO CCS(=O)(=O)N1CC(CNc2cc[nH+]c3cc(F)ccc23)C1 ZINC000302556889 230296629 /nfs/dbraw/zinc/29/66/29/230296629.db2.gz LPSPKBNYEWHHBZ-UHFFFAOYSA-N 1 0 323.393 2.067 10 0 DEAERO Cc1cc(NCC[N@H+]2CC=C(C)CC2)nc(-c2ccccn2)n1 ZINC000358349688 424822057 /nfs/dbraw/zinc/82/20/57/424822057.db2.gz ZQQRVRBDALSUKA-UHFFFAOYSA-N 1 0 309.417 2.911 10 0 DEAERO O=C(C[NH+]1CCC(Cn2cccn2)CC1)NCC1CCCCC1 ZINC000105886267 424849403 /nfs/dbraw/zinc/84/94/03/424849403.db2.gz SDOITOPURKHQQP-UHFFFAOYSA-N 1 0 318.465 2.292 10 0 DEAERO C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886122 424849673 /nfs/dbraw/zinc/84/96/73/424849673.db2.gz WFAZWUJJESLTMC-CQSZACIVSA-N 1 0 304.438 2.042 10 0 DEAERO C[NH+](C)C1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000193807419 424871202 /nfs/dbraw/zinc/87/12/02/424871202.db2.gz ZKECOGIIOFWXLL-DOTOQJQBSA-N 1 0 307.482 2.194 10 0 DEAERO O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000195128208 424879951 /nfs/dbraw/zinc/87/99/51/424879951.db2.gz KAFCPCKWMRIZSX-GFCCVEGCSA-N 1 0 300.324 2.364 10 0 DEAERO O=C(CCc1nc2ccccc2[nH]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195083124 424880382 /nfs/dbraw/zinc/88/03/82/424880382.db2.gz QHACUFVZNPZWKX-CQSZACIVSA-N 1 0 312.417 2.192 10 0 DEAERO c1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc(N2CCSCC2)n1 ZINC000639386458 424857835 /nfs/dbraw/zinc/85/78/35/424857835.db2.gz IVMHOZRRDYLZFP-HOTGVXAUSA-N 1 0 319.474 2.292 10 0 DEAERO O[C@]1(CC[NH2+]Cc2ccc(Br)s2)CCOC1 ZINC000404189317 424926068 /nfs/dbraw/zinc/92/60/68/424926068.db2.gz IDSGKMAAYSVBBX-LLVKDONJSA-N 1 0 306.225 2.142 10 0 DEAERO CCCN(CC[NH+](C)C)C(=O)c1nscc1Br ZINC000405041937 424930630 /nfs/dbraw/zinc/93/06/30/424930630.db2.gz SQXAFNACECUTQQ-UHFFFAOYSA-N 1 0 320.256 2.319 10 0 DEAERO CCc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000405269386 424930752 /nfs/dbraw/zinc/93/07/52/424930752.db2.gz QYVHACAQJCIDLP-AAEUAGOBSA-N 1 0 316.492 2.449 10 0 DEAERO CCO[C@@H]1CN(C(=O)c2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000405838720 424931463 /nfs/dbraw/zinc/93/14/63/424931463.db2.gz DLUJHEAILYNGCP-BXKDBHETSA-N 1 0 317.216 2.429 10 0 DEAERO CCC([NH3+])(CC)CNC(=O)Nc1cc(-c2ccoc2C)on1 ZINC000415608881 424952182 /nfs/dbraw/zinc/95/21/82/424952182.db2.gz FVXGNDNOHCABQT-UHFFFAOYSA-N 1 0 306.366 2.882 10 0 DEAERO CN1C[C@@H](C[NH2+]Cc2cc(Br)cs2)CC1=O ZINC000657693348 425387503 /nfs/dbraw/zinc/38/75/03/425387503.db2.gz AIBJTDGKGCDPGA-MRVPVSSYSA-N 1 0 303.225 2.079 10 0 DEAERO C[C@H](Cc1cccs1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653070077 425395605 /nfs/dbraw/zinc/39/56/05/425395605.db2.gz IPVAHAYZLRRFRM-FBIMIBRVSA-N 1 0 306.353 2.193 10 0 DEAERO CCc1ccccc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000186985974 267657103 /nfs/dbraw/zinc/65/71/03/267657103.db2.gz QRBJFOOLPJEWEM-DZGCQCFKSA-N 1 0 308.447 2.106 10 0 DEAERO CC(C)CCC[C@@H](C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000192804463 267744846 /nfs/dbraw/zinc/74/48/46/267744846.db2.gz DMDZTLXABQCDJI-CVEARBPZSA-N 1 0 313.486 2.347 10 0 DEAERO Cc1ccccc1SCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662976376 425770652 /nfs/dbraw/zinc/77/06/52/425770652.db2.gz OSLLLLKRZBNQQP-NSHDSACASA-N 1 0 306.353 2.435 10 0 DEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCOC[C@H]2C)o1 ZINC000194690626 268554275 /nfs/dbraw/zinc/55/42/75/268554275.db2.gz KARMMOCTBZSEOX-CJNGLKHVSA-N 1 0 308.422 2.151 10 0 DEAERO O=C(Nc1ccc2c(c1)CCO2)N1CCC2(CC[NH2+]C2)CC1 ZINC000333121190 268888290 /nfs/dbraw/zinc/88/82/90/268888290.db2.gz GOMJYTMSFKWGGE-UHFFFAOYSA-N 1 0 301.390 2.229 10 0 DEAERO O=C(Nc1nc(C(F)(F)F)cs1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333141407 268891412 /nfs/dbraw/zinc/89/14/12/268891412.db2.gz KYJXOUMFBSSFMD-SFYZADRCSA-N 1 0 320.340 2.235 10 0 DEAERO CN(C(=O)Nc1ccc2c(c1)N(C)CCO2)[C@H]1CCC[NH2+]CC1 ZINC000333217199 268907091 /nfs/dbraw/zinc/90/70/91/268907091.db2.gz VSSMDVCRCOOXHK-AWEZNQCLSA-N 1 0 318.421 2.121 10 0 DEAERO CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000333898979 269002274 /nfs/dbraw/zinc/00/22/74/269002274.db2.gz ZMZLXVCEGPLDOY-KGLIPLIRSA-N 1 0 309.454 2.118 10 0 DEAERO CC(C)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000333926670 269004824 /nfs/dbraw/zinc/00/48/24/269004824.db2.gz VQAXAUHWXBTVNY-YYIAUSFCSA-N 1 0 323.481 2.221 10 0 DEAERO [NH3+][C@@H]1CC[C@H]2CN(c3cncc(OC4CCCCC4)n3)C[C@H]12 ZINC000333926048 269005205 /nfs/dbraw/zinc/00/52/05/269005205.db2.gz VCKVHBILOOMSDA-AEGPPILISA-N 1 0 302.422 2.362 10 0 DEAERO C[C@@H]1C[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)O1 ZINC000334026848 269008094 /nfs/dbraw/zinc/00/80/94/269008094.db2.gz HRDQKHODNRAFOL-DDQUQZBUSA-N 1 0 309.454 2.114 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)C1 ZINC000334110197 269019612 /nfs/dbraw/zinc/01/96/12/269019612.db2.gz BDAOKGJBHDMDPI-QWHCGFSZSA-N 1 0 321.425 2.134 10 0 DEAERO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccn1 ZINC000363392247 269055779 /nfs/dbraw/zinc/05/57/79/269055779.db2.gz FJBBPGVXXBZAIW-UONOGXRCSA-N 1 0 302.422 2.459 10 0 DEAERO Clc1cc(Br)cnc1NC[C@@H]1C[NH2+]CCCO1 ZINC000390201828 269097267 /nfs/dbraw/zinc/09/72/67/269097267.db2.gz JIXNKJPBVVGUNW-VIFPVBQESA-N 1 0 320.618 2.288 10 0 DEAERO C[C@H](OCc1ccccc1)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000404559879 269113063 /nfs/dbraw/zinc/11/30/63/269113063.db2.gz WQTSBMXHMIZVGZ-AESZEHBQSA-N 1 0 304.434 2.424 10 0 DEAERO CC(=O)N(c1nc(C[NH2+][C@@H]2CCOC[C@H]2C)cs1)C1CC1 ZINC000432345281 269135136 /nfs/dbraw/zinc/13/51/36/269135136.db2.gz FAVFESZOITVOIA-QMTHXVAHSA-N 1 0 309.435 2.173 10 0 DEAERO Cc1cc(CC[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)on1 ZINC000507211489 269315842 /nfs/dbraw/zinc/31/58/42/269315842.db2.gz MOSNBJWYBHIZOP-INIZCTEOSA-N 1 0 317.364 2.274 10 0 DEAERO CSCC1CCC([NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC000515593222 269352262 /nfs/dbraw/zinc/35/22/62/269352262.db2.gz FPFWBQWMJSBGDH-UHFFFAOYSA-N 1 0 305.509 2.323 10 0 DEAERO COC[C@H](C[NH2+][C@@H](C)c1ccc(Br)cn1)OC ZINC000516829976 269369984 /nfs/dbraw/zinc/36/99/84/269369984.db2.gz JVNQPJDSDMAUAB-ONGXEEELSA-N 1 0 303.200 2.156 10 0 DEAERO CN(C)c1nccc(N2CC[NH+]([C@H]3C[C@H]3c3ccccc3)CC2)n1 ZINC000361307367 273825416 /nfs/dbraw/zinc/82/54/16/273825416.db2.gz GEVAGRKKQSOJER-IRXDYDNUSA-N 1 0 323.444 2.221 10 0 DEAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1COc2ccccc21 ZINC000246273797 274334308 /nfs/dbraw/zinc/33/43/08/274334308.db2.gz JCOPEMLUQQSADJ-SNPRPXQTSA-N 1 0 303.406 2.102 10 0 DEAERO O=C([C@H]1CCCc2c(O)cccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190312490 275008218 /nfs/dbraw/zinc/00/82/18/275008218.db2.gz SJKAXFHAMCVHLW-CJNGLKHVSA-N 1 0 300.402 2.119 10 0 DEAERO C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000299745272 275398807 /nfs/dbraw/zinc/39/88/07/275398807.db2.gz XJHOIUKKSVTBPO-MBSJSRAVSA-N 1 0 324.428 2.238 10 0 DEAERO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261960085 275690490 /nfs/dbraw/zinc/69/04/90/275690490.db2.gz PKSXQWFAJUUMHZ-DZVNLGKHSA-N 1 0 310.482 2.184 10 0 DEAERO CC(C)c1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c(O)c1 ZINC000408413807 276049273 /nfs/dbraw/zinc/04/92/73/276049273.db2.gz IOUYCTRWOXLMCE-NVXWUHKLSA-N 1 0 318.417 2.061 10 0 DEAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000173767329 276117216 /nfs/dbraw/zinc/11/72/16/276117216.db2.gz KOKHVKVASSCWDT-GFCCVEGCSA-N 1 0 318.421 2.423 10 0 DEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000245827624 276167335 /nfs/dbraw/zinc/16/73/35/276167335.db2.gz ZLNAGHSJMKSKKR-HIFRSBDPSA-N 1 0 321.396 2.433 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCN1c1nccs1 ZINC000176999906 276180808 /nfs/dbraw/zinc/18/08/08/276180808.db2.gz STAWWXHTBBOPBP-KBPBESRZSA-N 1 0 322.478 2.055 10 0 DEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000252032652 276232110 /nfs/dbraw/zinc/23/21/10/276232110.db2.gz ZVILJVMKUZSDCE-QLFBSQMISA-N 1 0 309.454 2.212 10 0 DEAERO CCCC[C@H](COC)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000128742816 276243368 /nfs/dbraw/zinc/24/33/68/276243368.db2.gz IAYLVFTUQNNVOQ-SJORKVTESA-N 1 0 306.450 2.481 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCOC3(CCCC3)C2)C1 ZINC000151288475 276375665 /nfs/dbraw/zinc/37/56/65/276375665.db2.gz NZAYJQGOPYQXHN-CABCVRRESA-N 1 0 309.454 2.262 10 0 DEAERO C[NH+]1CCC(CNC(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000105086346 277026349 /nfs/dbraw/zinc/02/63/49/277026349.db2.gz TVUJMLFBXNQDAY-UHFFFAOYSA-N 1 0 305.466 2.452 10 0 DEAERO COC[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246733996 277266118 /nfs/dbraw/zinc/26/61/18/277266118.db2.gz LKQHZTNPPBKRQF-QWHCGFSZSA-N 1 0 322.371 2.146 10 0 DEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCOCC(F)(F)F)[C@@H]2C1 ZINC000158009405 277295694 /nfs/dbraw/zinc/29/56/94/277295694.db2.gz KVCZXXMFGIOAQX-UPJWGTAASA-N 1 0 311.344 2.224 10 0 DEAERO CO[C@@H]1CCN(Cc2cc(=O)oc3cc(C)ccc23)[C@H](C[NH3+])C1 ZINC000261902646 277656541 /nfs/dbraw/zinc/65/65/41/277656541.db2.gz PDECDRKWXCSNIW-LSDHHAIUSA-N 1 0 316.401 2.040 10 0 DEAERO CC1(C)CN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CC[C@@H]1[NH3+] ZINC000261774927 278314967 /nfs/dbraw/zinc/31/49/67/278314967.db2.gz GYLPWAXCLRUWKY-QOKNQOGYSA-N 1 0 314.429 2.313 10 0 DEAERO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@H](C)C1CCCCC1 ZINC000408021351 278340949 /nfs/dbraw/zinc/34/09/49/278340949.db2.gz HTEMWCJNZLIXMZ-UONOGXRCSA-N 1 0 317.495 2.121 10 0 DEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000134237907 279044552 /nfs/dbraw/zinc/04/45/52/279044552.db2.gz JSYYRVDBNGQEBV-KWQFWETISA-N 1 0 314.179 2.445 10 0 DEAERO CCN(CC(C)(C)O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179477398 279062356 /nfs/dbraw/zinc/06/23/56/279062356.db2.gz ZOEFJBZHTBQPRM-JKSUJKDBSA-N 1 0 319.449 2.234 10 0 DEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000129603471 279130597 /nfs/dbraw/zinc/13/05/97/279130597.db2.gz ZVIXOEVIPKQABE-NVXWUHKLSA-N 1 0 304.434 2.393 10 0 DEAERO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246843571 279191950 /nfs/dbraw/zinc/19/19/50/279191950.db2.gz DBAGONJSANPXFN-HUUCEWRRSA-N 1 0 304.438 2.001 10 0 DEAERO Cn1cncc1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245655849 279391668 /nfs/dbraw/zinc/39/16/68/279391668.db2.gz FYNNSICBOAAJEE-HOTGVXAUSA-N 1 0 306.360 2.233 10 0 DEAERO Fc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCc2ncnn2C1 ZINC000182131696 279466088 /nfs/dbraw/zinc/46/60/88/279466088.db2.gz VTLSJDZYSYFNEG-GXTWGEPZSA-N 1 0 302.353 2.236 10 0 DEAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(-n2cnnn2)cc1 ZINC000248785214 279544249 /nfs/dbraw/zinc/54/42/49/279544249.db2.gz IHCMNVOTEAJTEY-YLQAJVPDSA-N 1 0 313.405 2.271 10 0 DEAERO C[C@H]1OCCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000189149842 280053492 /nfs/dbraw/zinc/05/34/92/280053492.db2.gz MULQOPXUWLAKLP-UKRRQHHQSA-N 1 0 310.463 2.453 10 0 DEAERO Cc1cc(Br)cc2c1CN(C(=O)C[C@H](C)[NH3+])CC2 ZINC000261796592 280308397 /nfs/dbraw/zinc/30/83/97/280308397.db2.gz DNIZYXPHFOOCAI-JTQLQIEISA-N 1 0 311.223 2.380 10 0 DEAERO O=C1[C@@H]([NH2+][C@@H]2CCCc3sccc32)CCN1C1CCOCC1 ZINC000367412114 280315258 /nfs/dbraw/zinc/31/52/58/280315258.db2.gz GJNWUIYIKVSTKM-CABCVRRESA-N 1 0 320.458 2.495 10 0 DEAERO CC[C@@H]1C[C@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC(=O)N1 ZINC000329670873 280539166 /nfs/dbraw/zinc/53/91/66/280539166.db2.gz MZDSAEQBTPRTKQ-RRFJBIMHSA-N 1 0 307.438 2.218 10 0 DEAERO CC1(C)CN(C(=O)[C@@H]2C[C@@]23CCOc2ccccc23)CC[C@@H]1[NH3+] ZINC000261774933 281202734 /nfs/dbraw/zinc/20/27/34/281202734.db2.gz GYLPWAXCLRUWKY-URLQWDBASA-N 1 0 314.429 2.313 10 0 DEAERO Cc1cccc2c1OCC[C@@H]2NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000190347275 281283042 /nfs/dbraw/zinc/28/30/42/281283042.db2.gz HTMPSMDFPHGXSC-HIFRSBDPSA-N 1 0 303.406 2.212 10 0 DEAERO CC(C)[C@@H](C)CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000073904762 281547576 /nfs/dbraw/zinc/54/75/76/281547576.db2.gz OWSXHXITFSHAQC-INIZCTEOSA-N 1 0 318.465 2.002 10 0 DEAERO CCC[C@@H](O)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130131130 281931252 /nfs/dbraw/zinc/93/12/52/281931252.db2.gz LJWKPIMYTVGDFF-ZIAGYGMSSA-N 1 0 300.443 2.384 10 0 DEAERO C[NH+](C)C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 ZINC000092441007 282050875 /nfs/dbraw/zinc/05/08/75/282050875.db2.gz NETHVYVGCBQOFG-UHFFFAOYSA-N 1 0 301.312 2.267 10 0 DEAERO C[C@H](C(=O)N[C@H]1Cc2ccccc2[C@@H]1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246026033 289377898 /nfs/dbraw/zinc/37/78/98/289377898.db2.gz WSFOAFXJIXSUMU-PJSWFKRJSA-N 1 0 302.418 2.022 10 0 DEAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(S(C)(=O)=O)cc1 ZINC000252884802 290004223 /nfs/dbraw/zinc/00/42/23/290004223.db2.gz WZFADEFKDCBMKU-APHBMKBZSA-N 1 0 311.447 2.434 10 0 DEAERO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)s1 ZINC000358179126 293244328 /nfs/dbraw/zinc/24/43/28/293244328.db2.gz RELVIZLARVGDJI-BXUZGUMPSA-N 1 0 323.462 2.190 10 0 DEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1noc2c1CCCC2 ZINC000261915089 295215265 /nfs/dbraw/zinc/21/52/65/295215265.db2.gz UHVILMVVUAOIMD-QOARYFPJSA-N 1 0 303.406 2.189 10 0 DEAERO [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000262021596 295251453 /nfs/dbraw/zinc/25/14/53/295251453.db2.gz XSFYAADTPGUQBQ-UAGQMJEPSA-N 1 0 302.418 2.352 10 0 DEAERO COc1cccc(C[N@H+](C[C@H](O)COC(C)C)C2CC2)c1OC ZINC000036103695 295296918 /nfs/dbraw/zinc/29/69/18/295296918.db2.gz FWJUMCVGQXTLPS-INIZCTEOSA-N 1 0 323.433 2.454 10 0 DEAERO [NH3+][C@H](C(=O)N1CC2(CCC2)c2c1cccc2F)C1CCOCC1 ZINC000261644962 295327268 /nfs/dbraw/zinc/32/72/68/295327268.db2.gz DSBMOYYYPHIYIV-INIZCTEOSA-N 1 0 318.392 2.348 10 0 DEAERO C[C@H](C(=O)N1CCSc2ccccc21)N1CC[C@@](C)(C[NH3+])C1 ZINC000261689676 298072309 /nfs/dbraw/zinc/07/23/09/298072309.db2.gz HJYOAAMFTLFCTQ-DYVFJYSZSA-N 1 0 319.474 2.185 10 0 DEAERO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000408092483 298139055 /nfs/dbraw/zinc/13/90/55/298139055.db2.gz SCLCWTJAPNPYTK-GWEBFIOCSA-N 1 0 320.477 2.163 10 0 DEAERO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000111829803 300961381 /nfs/dbraw/zinc/96/13/81/300961381.db2.gz GBTQAAFVZPMYSC-LLVKDONJSA-N 1 0 304.843 2.300 10 0 DEAERO Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000193400215 301179224 /nfs/dbraw/zinc/17/92/24/301179224.db2.gz NMCZFAJOEYTNOH-ZUZCIYMTSA-N 1 0 310.463 2.197 10 0 DEAERO Cc1ccccc1C([NH2+]CC(=O)NC(N)=O)c1ccccc1C ZINC000185865123 302082721 /nfs/dbraw/zinc/08/27/21/302082721.db2.gz WMRCATFPBNKTGO-UHFFFAOYSA-N 1 0 311.385 2.177 10 0 DEAERO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CCCN1C ZINC000183407929 302127961 /nfs/dbraw/zinc/12/79/61/302127961.db2.gz FNPWWPKGFQMQFJ-PKOBYXMFSA-N 1 0 317.477 2.052 10 0 DEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000105881204 302402895 /nfs/dbraw/zinc/40/28/95/302402895.db2.gz CTZADLUNCCAMLM-GJZGRUSLSA-N 1 0 312.417 2.147 10 0 DEAERO Cc1nn(C)cc1CC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000451045217 302793927 /nfs/dbraw/zinc/79/39/27/302793927.db2.gz LWDBXUZXXARHHO-UHFFFAOYSA-N 1 0 320.481 2.384 10 0 DEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000262077578 303406195 /nfs/dbraw/zinc/40/61/95/303406195.db2.gz GVIQSLXWTDDPME-QAETUUGQSA-N 1 0 302.418 2.398 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)NCCc2nccs2)CC1 ZINC000171213605 325718516 /nfs/dbraw/zinc/71/85/16/325718516.db2.gz VCWDSKQPJSYXNZ-UHFFFAOYSA-N 1 0 310.467 2.107 10 0 DEAERO CCN(C(=O)c1sc(COC)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000576648194 326309010 /nfs/dbraw/zinc/30/90/10/326309010.db2.gz LCHVUBFLGBNIQG-LBPRGKRZSA-N 1 0 311.451 2.202 10 0 DEAERO CC(C)(CNC(=O)NCCOCC1CCC1)[NH+]1CCCCC1 ZINC000576798332 326319234 /nfs/dbraw/zinc/31/92/34/326319234.db2.gz GNFLHDPBDYEJRT-UHFFFAOYSA-N 1 0 311.470 2.367 10 0 DEAERO CC(=O)c1ccccc1NC(=O)CCC[N@H+](C)CCCCO ZINC000576954676 326332581 /nfs/dbraw/zinc/33/25/81/326332581.db2.gz WRWDPVQHPWYVTL-UHFFFAOYSA-N 1 0 306.406 2.312 10 0 DEAERO CCOc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)n1 ZINC000577126304 326344635 /nfs/dbraw/zinc/34/46/35/326344635.db2.gz KRDFGDRBCJVCJS-PBHICJAKSA-N 1 0 320.433 2.138 10 0 DEAERO COC[C@H](C)C[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000188231813 333039662 /nfs/dbraw/zinc/03/96/62/333039662.db2.gz XSLGRNHPQHHHGD-YGRLFVJLSA-N 1 0 314.788 2.457 10 0 DEAERO COC[C@@H](C)C[NH+]1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000189576913 333142304 /nfs/dbraw/zinc/14/23/04/333142304.db2.gz UGYLIWBHYDQXMZ-AWEZNQCLSA-N 1 0 310.413 2.234 10 0 DEAERO COC[C@H](C)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000189612011 333164100 /nfs/dbraw/zinc/16/41/00/333164100.db2.gz YTJCKVLHHYGZGS-CABCVRRESA-N 1 0 306.454 2.466 10 0 DEAERO C[C@H](CN1CCOCC1)[NH2+]Cc1ccsc1Br ZINC000388898649 335619005 /nfs/dbraw/zinc/61/90/05/335619005.db2.gz SUWONLANWMMEEY-SNVBAGLBSA-N 1 0 319.268 2.321 10 0 DEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000582462930 337092801 /nfs/dbraw/zinc/09/28/01/337092801.db2.gz HTXBBFLJQQOKNO-OAHLLOKOSA-N 1 0 313.401 2.351 10 0 DEAERO COC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398002289 337303458 /nfs/dbraw/zinc/30/34/58/337303458.db2.gz XAAWODNGUAZXMI-GDBMZVCRSA-N 1 0 304.434 2.438 10 0 DEAERO c1cncc(O[C@@H]2CCCc3ccc(N4CC[NH2+]CC4)nc32)c1 ZINC000584651826 337380989 /nfs/dbraw/zinc/38/09/89/337380989.db2.gz VMJXPZMMHVIMSE-MRXNPFEDSA-N 1 0 310.401 2.343 10 0 DEAERO CC(C)(C)c1ccc(OCC(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000236592421 500600014 /nfs/dbraw/zinc/60/00/14/500600014.db2.gz JDDPLRVALAVSRC-CQSZACIVSA-N 1 0 304.434 2.479 10 0 DEAERO CCN(Cc1cccc(Cl)c1)C(=O)C1(C[NH3+])CCOCC1 ZINC000166020605 500686430 /nfs/dbraw/zinc/68/64/30/500686430.db2.gz WLNSNNZXYOAZPL-UHFFFAOYSA-N 1 0 310.825 2.444 10 0 DEAERO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000188068051 533831092 /nfs/dbraw/zinc/83/10/92/533831092.db2.gz DLCJKVXKVRCBHX-NSHDSACASA-N 1 0 315.410 2.042 10 0 DEAERO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000443787564 533859941 /nfs/dbraw/zinc/85/99/41/533859941.db2.gz JIMRMCDNARSVCL-CKEIUWERSA-N 1 0 300.406 2.249 10 0 DEAERO COc1ccc(F)cc1CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000187904639 533938290 /nfs/dbraw/zinc/93/82/90/533938290.db2.gz CBJFYKFDMIETPO-HNNXBMFYSA-N 1 0 323.412 2.316 10 0 DEAERO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(CCO)CC2)cc1 ZINC000188060053 534089008 /nfs/dbraw/zinc/08/90/08/534089008.db2.gz DAXFVUSHJWEYEA-CYBMUJFWSA-N 1 0 306.406 2.165 10 0 DEAERO CC(C)OC(=O)CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000157836847 519745342 /nfs/dbraw/zinc/74/53/42/519745342.db2.gz UIKYPCVPZUGHEZ-UHFFFAOYSA-N 1 0 324.465 2.489 10 0 DEAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000245929358 519826695 /nfs/dbraw/zinc/82/66/95/519826695.db2.gz ZOUFLXADTLYVGB-IVZQSRNASA-N 1 0 323.462 2.228 10 0 DEAERO CCC[NH+]1CCC(CNC(=O)N2C[C@@H](C)O[C@@H](CC)C2)CC1 ZINC000111847420 519842443 /nfs/dbraw/zinc/84/24/43/519842443.db2.gz XLEHRCWEPRCGLN-ZBFHGGJFSA-N 1 0 311.470 2.317 10 0 DEAERO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C)[C@@H](C)CO)cc1 ZINC000131796752 520699698 /nfs/dbraw/zinc/69/96/98/520699698.db2.gz JLJYICPMOKZRDM-GJZGRUSLSA-N 1 0 322.449 2.154 10 0 DEAERO NC(=O)c1csc(NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000292651915 534526313 /nfs/dbraw/zinc/52/63/13/534526313.db2.gz ZPXVHIUOLARFPV-UHFFFAOYSA-N 1 0 316.430 2.450 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)COc1cccc(C)c1 ZINC000106379360 521652666 /nfs/dbraw/zinc/65/26/66/521652666.db2.gz HEVCNZQIIIYFGV-IRXDYDNUSA-N 1 0 306.450 2.151 10 0 DEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CNc2ccccc2OC)[C@H](C)C1 ZINC000127308065 521718036 /nfs/dbraw/zinc/71/80/36/521718036.db2.gz BYNWSACVQQXSMM-ZBFHGGJFSA-N 1 0 319.449 2.296 10 0 DEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCC(C)(C)CO ZINC000130404591 522035357 /nfs/dbraw/zinc/03/53/57/522035357.db2.gz OASVKPIVMHEUQJ-INIZCTEOSA-N 1 0 306.450 2.074 10 0 DEAERO CCc1nc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)cs1 ZINC000105862532 522287408 /nfs/dbraw/zinc/28/74/08/522287408.db2.gz BGLVQIJTQVNAFY-CYBMUJFWSA-N 1 0 311.495 2.230 10 0 DEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1nc(Cc2ccccc2)ns1 ZINC000237021637 522306249 /nfs/dbraw/zinc/30/62/49/522306249.db2.gz HRQHXTRBXSEJID-ZWNOBZJWSA-N 1 0 304.419 2.441 10 0 DEAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000105922604 522599292 /nfs/dbraw/zinc/59/92/92/522599292.db2.gz GAMGQJJCPOMWPN-GJZGRUSLSA-N 1 0 309.454 2.258 10 0 DEAERO COCc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000128509197 522971380 /nfs/dbraw/zinc/97/13/80/522971380.db2.gz BSTSCJJHMQVNBP-QGZVFWFLSA-N 1 0 300.406 2.337 10 0 DEAERO CN(C[C@@H]1CCCC[C@H]1O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000245969969 523040390 /nfs/dbraw/zinc/04/03/90/523040390.db2.gz NWCNTFJPBTZJHL-UCHQMPSGSA-N 1 0 323.481 2.194 10 0 DEAERO CC[C@@H]1CN(C(=O)NCC2(C)CCCC2)CC[N@@H+]1CCOC ZINC000117494713 523393242 /nfs/dbraw/zinc/39/32/42/523393242.db2.gz KELWOCBERXLSJD-OAHLLOKOSA-N 1 0 311.470 2.319 10 0 DEAERO Cn1c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3CO)cc2sc1=O ZINC000328893078 534709200 /nfs/dbraw/zinc/70/92/00/534709200.db2.gz UGDFMXFAAOCXAF-CHWSQXEVSA-N 1 0 306.431 2.241 10 0 DEAERO CC(=O)N(c1nnc(SC[C@H](C)[NH+](C)C)s1)C1CC1 ZINC000358863725 534751087 /nfs/dbraw/zinc/75/10/87/534751087.db2.gz RJZPOHFKRSTQMT-QMMMGPOBSA-N 1 0 300.453 2.096 10 0 DEAERO Cc1cc(C(=O)NCC[C@H]2CCC[NH2+]C2)nn1-c1ccccc1 ZINC000237730123 524084637 /nfs/dbraw/zinc/08/46/37/524084637.db2.gz PWHMZGIBXKZTRM-OAHLLOKOSA-N 1 0 312.417 2.300 10 0 DEAERO C[C@H]1CCC[C@@H](CCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000237682440 524133760 /nfs/dbraw/zinc/13/37/60/524133760.db2.gz OZWFJKZOTBMEQX-KBPBESRZSA-N 1 0 319.453 2.149 10 0 DEAERO CC(=O)N1CCN(CC[NH2+][C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000353914818 534792060 /nfs/dbraw/zinc/79/20/60/534792060.db2.gz LJGJZBGLXUHEBB-CVEARBPZSA-N 1 0 309.498 2.345 10 0 DEAERO C[C@@H](Cc1ccccc1F)C(=O)NCCCC[NH+]1CCOCC1 ZINC000156269163 524920413 /nfs/dbraw/zinc/92/04/13/524920413.db2.gz DVMKXEVWYXODLT-HNNXBMFYSA-N 1 0 322.424 2.233 10 0 DEAERO C[C@H](CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cccc(F)c1 ZINC000116797057 526229653 /nfs/dbraw/zinc/22/96/53/526229653.db2.gz UVDRMOPECBOVLU-CJNGLKHVSA-N 1 0 308.397 2.108 10 0 DEAERO O[C@H](COCc1cccs1)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000153165193 526286936 /nfs/dbraw/zinc/28/69/36/526286936.db2.gz FMAODJONLQWMRP-IJEWVQPXSA-N 1 0 311.447 2.127 10 0 DEAERO CC(=O)C1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000292903249 526391902 /nfs/dbraw/zinc/39/19/02/526391902.db2.gz XOSIYTCAVNFFBP-UHFFFAOYSA-N 1 0 300.402 2.268 10 0 DEAERO C[N@H+](C[C@H](O)COCc1ccccc1)C[C@@H](O)C1CCCCC1 ZINC000249107060 536440912 /nfs/dbraw/zinc/44/09/12/536440912.db2.gz QMSMMPFKJRQJOK-RBUKOAKNSA-N 1 0 321.461 2.437 10 0 DEAERO Brc1ccc2[nH]c(CNC3=[NH+]CCCN3)cc2c1 ZINC000184814835 526644857 /nfs/dbraw/zinc/64/48/57/526644857.db2.gz WWLBZDMAAFIPMF-UHFFFAOYSA-N 1 0 307.195 2.369 10 0 DEAERO O=C(NOCc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000103321476 526849411 /nfs/dbraw/zinc/84/94/11/526849411.db2.gz LUGYVRMUPUQPQB-UHFFFAOYSA-N 1 0 303.406 2.388 10 0 DEAERO NC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000366025626 527023552 /nfs/dbraw/zinc/02/35/52/527023552.db2.gz RSEPMVZZGFLVOH-CYBMUJFWSA-N 1 0 323.400 2.370 10 0 DEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000238062149 527234952 /nfs/dbraw/zinc/23/49/52/527234952.db2.gz SAPGNRHBUXEHCY-RISCZKNCSA-N 1 0 310.344 2.171 10 0 DEAERO CC(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1O ZINC000331336366 527235010 /nfs/dbraw/zinc/23/50/10/527235010.db2.gz IWXUBFUNSOUDGU-SMDDNHRTSA-N 1 0 304.390 2.150 10 0 DEAERO [NH3+][C@@H]1CCC[C@H](NC(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000161654257 527357596 /nfs/dbraw/zinc/35/75/96/527357596.db2.gz MNQAETYDYINJGW-NEPJUHHUSA-N 1 0 310.344 2.314 10 0 DEAERO CC[N@@H+]1CC[C@H](NC(=O)c2ccsc2Br)C1 ZINC000412874088 527878125 /nfs/dbraw/zinc/87/81/25/527878125.db2.gz ICRLOESDDSDMNK-QMMMGPOBSA-N 1 0 303.225 2.335 10 0 DEAERO CCC[C@]1(COC)CCCN1C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000193471761 528525437 /nfs/dbraw/zinc/52/54/37/528525437.db2.gz YPXWIVAFZDIVBD-DOTOQJQBSA-N 1 0 311.470 2.461 10 0 DEAERO CCCn1nccc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328826177 528892216 /nfs/dbraw/zinc/89/22/16/528892216.db2.gz SPXATOXDFYUTFR-AWEZNQCLSA-N 1 0 305.426 2.385 10 0 DEAERO CC(C)[C@H](CNC(=O)NCCc1cn[nH]c1)[NH+]1CCCCCC1 ZINC000358469922 535003705 /nfs/dbraw/zinc/00/37/05/535003705.db2.gz SKIAGUQRNXHLMH-INIZCTEOSA-N 1 0 321.469 2.152 10 0 DEAERO CC(C)Oc1cccc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000247582095 535039732 /nfs/dbraw/zinc/03/97/32/535039732.db2.gz IMYDHTZKPBOAEC-CVEARBPZSA-N 1 0 306.450 2.361 10 0 DEAERO 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CCCc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261809408 535421695 /nfs/dbraw/zinc/42/16/95/535421695.db2.gz ZPTRKUZNALYWOM-OAHLLOKOSA-N 1 0 310.463 2.387 10 0 DEAERO CCOc1ccccc1/C=C/c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263158281 535485748 /nfs/dbraw/zinc/48/57/48/535485748.db2.gz DPLOXZAIVPQMGX-MYSGNRETSA-N 1 0 314.389 2.215 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C\c2ccc(OC)c(O)c2)C1 ZINC000492704385 535569270 /nfs/dbraw/zinc/56/92/70/535569270.db2.gz KDVUHNRZYAESCR-LEJCZOIISA-N 1 0 304.390 2.015 10 0 DEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCn1nc(C)cc1C ZINC000176140761 535586403 /nfs/dbraw/zinc/58/64/03/535586403.db2.gz HDGVEVJTSQSXQS-INIZCTEOSA-N 1 0 321.469 2.016 10 0 DEAERO CC[C@@H](C)[NH2+][C@H](CNC(=O)Cn1nc(C)cc1C)c1ccco1 ZINC000359536793 535605404 /nfs/dbraw/zinc/60/54/04/535605404.db2.gz KOZSZTROZKRKQC-IUODEOHRSA-N 1 0 318.421 2.339 10 0 DEAERO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)[C@H](C)OC)c1ccco1 ZINC000460140722 535660087 /nfs/dbraw/zinc/66/00/87/535660087.db2.gz 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PIRFCKPJPAZJON-LBPRGKRZSA-N 1 0 306.406 2.370 10 0 DEAERO COc1ccc(OCCCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261670978 536843871 /nfs/dbraw/zinc/84/38/71/536843871.db2.gz ADWXRWFFZKLIFC-INIZCTEOSA-N 1 0 320.433 2.440 10 0 DEAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000247535438 536861495 /nfs/dbraw/zinc/86/14/95/536861495.db2.gz XXTIGUDCYZBRHA-CAOSSQGBSA-N 1 0 311.470 2.221 10 0 DEAERO COc1cc(OC)c(OC)cc1CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000262554928 536865685 /nfs/dbraw/zinc/86/56/85/536865685.db2.gz TZKZVDKTAQMNOQ-OCCSQVGLSA-N 1 0 308.422 2.272 10 0 DEAERO COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)cc1NC(C)=O ZINC000248972310 536898726 /nfs/dbraw/zinc/89/87/26/536898726.db2.gz CVTIDEPENAQLKA-CORIIIEPSA-N 1 0 306.406 2.465 10 0 DEAERO COc1ccccc1OCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000246669491 537089088 /nfs/dbraw/zinc/08/90/88/537089088.db2.gz MAIDJYNNMBSVCN-GJZGRUSLSA-N 1 0 318.417 2.017 10 0 DEAERO CC[C@]1(C2CN(C(=O)OC(C)(C)C)C2)[NH2+]CCc2nc[nH]c21 ZINC000716166135 563465208 /nfs/dbraw/zinc/46/52/08/563465208.db2.gz YEQKXBZHEZOGRY-MRXNPFEDSA-N 1 0 306.410 2.028 10 0 DEAERO CC(C)[C@@H]([NH2+]Cc1cc(Br)ccc1F)C(N)=O ZINC000107323242 563566914 /nfs/dbraw/zinc/56/69/14/563566914.db2.gz LZNKQYUJMPFORM-LLVKDONJSA-N 1 0 303.175 2.188 10 0 DEAERO COc1ccccc1-c1cc(C(=O)NCCCC[NH+](C)C)no1 ZINC000725906050 625574152 /nfs/dbraw/zinc/57/41/52/625574152.db2.gz OBGLFBZMBCZCNJ-UHFFFAOYSA-N 1 0 317.389 2.422 10 0 DEAERO CC(C)(C)OC(=O)N(CCCCCO)c1ccc(C[NH3+])nc1 ZINC000757133461 623040569 /nfs/dbraw/zinc/04/05/69/623040569.db2.gz IFJMKTZPEIKZQA-UHFFFAOYSA-N 1 0 309.410 2.444 10 0 DEAERO Brc1ccc2nc(CN3CC[NH2+]CC3)sc2c1 ZINC000084817154 624544086 /nfs/dbraw/zinc/54/40/86/624544086.db2.gz PXGRCYGGOUACNH-UHFFFAOYSA-N 1 0 312.236 2.464 10 0 DEAERO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)/C=C\c2ccccc2)C1 ZINC000255411801 624670608 /nfs/dbraw/zinc/67/06/08/624670608.db2.gz AJCKGQYVQNOKDU-YSANFCEKSA-N 1 0 308.447 2.450 10 0 DEAERO [NH2+]=C(NCCCSc1ccc(F)cc1)NC[C@H]1CCCO1 ZINC000066242298 625056449 /nfs/dbraw/zinc/05/64/49/625056449.db2.gz OOEACQYYCLEXHA-CYBMUJFWSA-N 1 0 311.426 2.391 10 0 DEAERO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)/C=C\c2ccc(F)cc2)C1 ZINC000255566647 625105903 /nfs/dbraw/zinc/10/59/03/625105903.db2.gz FIJOQHOSNGTVFG-SIZDRYQASA-N 1 0 312.410 2.185 10 0 DEAERO CCCCN(C)C(=O)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236703096 633134007 /nfs/dbraw/zinc/13/40/07/633134007.db2.gz PZHXJTHYFCCJOJ-CVEARBPZSA-N 1 0 323.481 2.001 10 0 DEAERO [NH3+]CC[C@@H]1CCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000125436139 633707225 /nfs/dbraw/zinc/70/72/25/633707225.db2.gz CMZNNYWIAIBPRO-CYBMUJFWSA-N 1 0 304.415 2.199 10 0 DEAERO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C=C1CCCCC1)C2 ZINC000888095232 635513953 /nfs/dbraw/zinc/51/39/53/635513953.db2.gz RXUPOIHJAONISD-RWQQGDIJSA-N 1 0 320.477 2.473 10 0 DEAERO Cc1ccc(-c2nc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)cs2)o1 ZINC000186792768 636564431 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C[C@H](CO)C[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000743271355 638129644 /nfs/dbraw/zinc/12/96/44/638129644.db2.gz JGLPJPPRTUHVKX-GWCFXTLKSA-N 1 0 302.212 2.043 10 0 DEAERO CC(=O)C(C)(C)CCC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000746179982 638320287 /nfs/dbraw/zinc/32/02/87/638320287.db2.gz SJBYSUJEYPVHKK-INIZCTEOSA-N 1 0 324.465 2.141 10 0 DEAERO COC(=O)/C(C)=C\C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000750064464 638708323 /nfs/dbraw/zinc/70/83/23/638708323.db2.gz LYGLVYAPOOAUKV-SZCQRLSZSA-N 1 0 311.422 2.156 10 0 DEAERO O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000800968620 645325375 /nfs/dbraw/zinc/32/53/75/645325375.db2.gz USUXCTJGKKGNLV-IAGOWNOFSA-N 1 0 322.474 2.274 10 0 DEAERO C[NH+](C)CC[C@H](NC(=O)N1CCO[C@@H](C(F)F)C1)C(C)(C)C ZINC000801020008 645330797 /nfs/dbraw/zinc/33/07/97/645330797.db2.gz YGHNPGKDMOAWAT-NEPJUHHUSA-N 1 0 321.412 2.028 10 0 DEAERO C[Si](C)(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000801936078 645465055 /nfs/dbraw/zinc/46/50/55/645465055.db2.gz OITCTQFYNNROJG-MRXNPFEDSA-N 1 0 316.521 2.429 10 0 DEAERO CC(C)(C)OC(=O)N(C[C@@H](O)C1CC1)c1ccc(C[NH3+])nc1 ZINC000757132451 645928114 /nfs/dbraw/zinc/92/81/14/645928114.db2.gz BFPCMVJYWBIVIJ-CQSZACIVSA-N 1 0 307.394 2.053 10 0 DEAERO COc1cc(OC)cc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000757183108 645938084 /nfs/dbraw/zinc/93/80/84/645938084.db2.gz DPDNBKACXYAYDH-GJZGRUSLSA-N 1 0 307.390 2.349 10 0 DEAERO CCN1CCC[C@H]([NH2+]Cc2cc(OC)ccc2OCOC)C1 ZINC000164088061 646413357 /nfs/dbraw/zinc/41/33/57/646413357.db2.gz MOWZSVCRJVZCLG-HNNXBMFYSA-N 1 0 308.422 2.252 10 0 DEAERO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H](C)O)c(Br)c1 ZINC000349312485 646461387 /nfs/dbraw/zinc/46/13/87/646461387.db2.gz FLMAKKPRLDCDHA-IUCAKERBSA-N 1 0 316.195 2.095 10 0 DEAERO COC[C@@H](C)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000045695857 646522754 /nfs/dbraw/zinc/52/27/54/646522754.db2.gz FETJGOYAVZTARH-GXFFZTMASA-N 1 0 302.212 2.355 10 0 DEAERO C[N@@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000170639938 646654220 /nfs/dbraw/zinc/65/42/20/646654220.db2.gz JHSKALOJVOFWAY-NSHDSACASA-N 1 0 322.352 2.486 10 0 DEAERO Cc1noc(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000229090051 646666674 /nfs/dbraw/zinc/66/66/74/646666674.db2.gz DPIMSPOWRCKNRT-VXGBXAGGSA-N 1 0 310.398 2.161 10 0 DEAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1cncs1 ZINC000229114967 646668067 /nfs/dbraw/zinc/66/80/67/646668067.db2.gz CJPMQHQIOBEXIU-NXEZZACHSA-N 1 0 311.432 2.202 10 0 DEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000231810213 646780213 /nfs/dbraw/zinc/78/02/13/646780213.db2.gz AVIFZFPNSLOEFW-SNVBAGLBSA-N 1 0 322.883 2.473 10 0 DEAERO CCCS(=O)(=O)CC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000173836903 646781384 /nfs/dbraw/zinc/78/13/84/646781384.db2.gz XXLUVLYQOZOMDN-HNNXBMFYSA-N 1 0 303.468 2.235 10 0 DEAERO c1ccc2c(c1)O[C@@H](c1noc(C[C@H]3CC[NH2+]C3)n1)CS2 ZINC000232486531 646811266 /nfs/dbraw/zinc/81/12/66/646811266.db2.gz ATIWUZARJLLFSQ-ZYHUDNBSSA-N 1 0 303.387 2.447 10 0 DEAERO CCOCCN1CC[N@H+](C[C@H](O)c2ccc(C)cc2)C[C@@H]1C ZINC000174782512 647346395 /nfs/dbraw/zinc/34/63/95/647346395.db2.gz MWOGXXPZIXOUJJ-WMZOPIPTSA-N 1 0 306.450 2.071 10 0 DEAERO Cc1cnc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cn1 ZINC000732807829 647663797 /nfs/dbraw/zinc/66/37/97/647663797.db2.gz XAWZCFNMSZKUBW-UHFFFAOYSA-N 1 0 308.389 2.207 10 0 DEAERO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CSCCS2)CC[N@@H+]1C ZINC000155085139 648180797 /nfs/dbraw/zinc/18/07/97/648180797.db2.gz IRLDWCCYYWTBCZ-FRRDWIJNSA-N 1 0 302.509 2.166 10 0 DEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)nc(Cl)c1 ZINC000237813465 648423911 /nfs/dbraw/zinc/42/39/11/648423911.db2.gz XYVUACIGYLOIOL-ULKQDVFKSA-N 1 0 300.189 2.401 10 0 DEAERO Cc1cc(C)n(C[C@@H](C)C[NH2+]Cc2c(C)nn(C)c2N(C)C)n1 ZINC000069370010 648608021 /nfs/dbraw/zinc/60/80/21/648608021.db2.gz LEPJFXNUVPJVRL-LBPRGKRZSA-N 1 0 318.469 2.034 10 0 DEAERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccc(F)c(F)c2)C1 ZINC000071815710 649212409 /nfs/dbraw/zinc/21/24/09/649212409.db2.gz BGWONSCAOMUTBL-CYBMUJFWSA-N 1 0 313.344 2.478 10 0 DEAERO COc1ccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000071815645 649212460 /nfs/dbraw/zinc/21/24/60/649212460.db2.gz CZTDKLQEINHCBI-MRXNPFEDSA-N 1 0 307.390 2.209 10 0 DEAERO CCCCCC[C@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185214280 649476690 /nfs/dbraw/zinc/47/66/90/649476690.db2.gz XPMHVGJXTGPSGY-ARFHVFGLSA-N 1 0 313.486 2.442 10 0 DEAERO CC(C)c1ccc(NC(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1 ZINC000111220867 652534638 /nfs/dbraw/zinc/53/46/38/652534638.db2.gz UWTIGLZASBEJTK-HIFRSBDPSA-N 1 0 317.433 2.334 10 0 DEAERO C[C@@H]1C[C@@H]([NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C ZINC000381988318 685403226 /nfs/dbraw/zinc/40/32/26/685403226.db2.gz OKPACINBMCZWEX-QLFBSQMISA-N 1 0 311.470 2.173 10 0 DEAERO CCCn1cc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)cn1 ZINC000381908068 685403487 /nfs/dbraw/zinc/40/34/87/685403487.db2.gz YUGKZTXXSXUHPU-SREVYHEPSA-N 1 0 308.426 2.464 10 0 DEAERO OC[C@@H]([NH2+]Cc1nc(Br)c[nH]1)C1CCCCC1 ZINC000386275035 685417181 /nfs/dbraw/zinc/41/71/81/685417181.db2.gz PSFKXKNCJYUAKJ-SNVBAGLBSA-N 1 0 302.216 2.203 10 0 DEAERO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000389810537 685435899 /nfs/dbraw/zinc/43/58/99/685435899.db2.gz YQYFCDBEZKYBTI-JWILCIIWSA-N 1 0 314.838 2.228 10 0 DEAERO c1ccc(C2(c3nc(C[C@@H]4CCCO4)no3)CC[NH2+]CC2)cc1 ZINC000390883300 685443158 /nfs/dbraw/zinc/44/31/58/685443158.db2.gz VNETZLXHJBFTKN-HNNXBMFYSA-N 1 0 313.401 2.461 10 0 DEAERO CC(C)(CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000037853726 683884833 /nfs/dbraw/zinc/88/48/33/683884833.db2.gz HEPZLVNAOUUNJK-VIFPVBQESA-N 1 0 308.205 2.094 10 0 DEAERO Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000093991232 684052453 /nfs/dbraw/zinc/05/24/53/684052453.db2.gz LJDGKGGJJWKJSK-OLZOCXBDSA-N 1 0 317.389 2.384 10 0 DEAERO COCC[N@@H+]1CCN(Cn2cc(-c3ccccc3)cn2)C[C@@H]1C ZINC000117323295 684068455 /nfs/dbraw/zinc/06/84/55/684068455.db2.gz AUHJHAPUZLJKAN-INIZCTEOSA-N 1 0 314.433 2.160 10 0 DEAERO COC(=O)[C@@H](C)C[N@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1 ZINC000120338076 684094879 /nfs/dbraw/zinc/09/48/79/684094879.db2.gz HKTFWQTUCFQGEO-GOEBONIOSA-N 1 0 319.401 2.251 10 0 DEAERO COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H](C)c2ccc(C)o2)C[C@@H]1C ZINC000120505826 684096671 /nfs/dbraw/zinc/09/66/71/684096671.db2.gz YXARFMALYKSTQL-VNHYZAJKSA-N 1 0 323.437 2.400 10 0 DEAERO CC[C@H]1CN(c2ccccc2S(=O)(=O)C(F)F)CC[C@@H]1[NH3+] ZINC000123016016 684121649 /nfs/dbraw/zinc/12/16/49/684121649.db2.gz BOLGKQUMMJWDII-QWRGUYRKSA-N 1 0 318.389 2.247 10 0 DEAERO CCO[C@@H](C)c1nc(CN(C)CCC2OCCO2)cs1 ZINC000124449355 684135574 /nfs/dbraw/zinc/13/55/74/684135574.db2.gz DJNBDQWZGYDDAJ-NSHDSACASA-N 1 0 300.424 2.435 10 0 DEAERO CCN1CCCC[C@@H]1C(=O)Oc1cccc(CC(=O)OC)c1 ZINC000125709701 684147709 /nfs/dbraw/zinc/14/77/09/684147709.db2.gz GTBGNVXYTXYGFJ-OAHLLOKOSA-N 1 0 305.374 2.182 10 0 DEAERO CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)c2ccc(OC)cc2)C1 ZINC000131782285 684201925 /nfs/dbraw/zinc/20/19/25/684201925.db2.gz BBDROICQRHXXEN-ZDUSSCGKSA-N 1 0 312.360 2.388 10 0 DEAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC000190201287 684397612 /nfs/dbraw/zinc/39/76/12/684397612.db2.gz JGOMFMISTRMBEV-MRXNPFEDSA-N 1 0 324.465 2.253 10 0 DEAERO CCOC[C@@H](C)OC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000190697681 684412341 /nfs/dbraw/zinc/41/23/41/684412341.db2.gz ISGCDAXUKZKHLH-OAHLLOKOSA-N 1 0 320.433 2.410 10 0 DEAERO Cc1nnc(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000191907120 684438902 /nfs/dbraw/zinc/43/89/02/684438902.db2.gz YYCCGXKKVFTKKJ-VXGBXAGGSA-N 1 0 310.398 2.161 10 0 DEAERO CCOCC[N@@H+]1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1CC ZINC000192791149 684456958 /nfs/dbraw/zinc/45/69/58/684456958.db2.gz KSZCPOQZRBVZNG-CQSZACIVSA-N 1 0 322.409 2.114 10 0 DEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCSC(F)(F)F ZINC000194449033 685067713 /nfs/dbraw/zinc/06/77/13/685067713.db2.gz VLYJKOMTNJHDFE-VIFPVBQESA-N 1 0 301.378 2.269 10 0 DEAERO CC[C@@H]1CN(C[C@@H](O)c2cc(C)cc(C)c2)CC[N@@H+]1CCOC ZINC000246810857 685137122 /nfs/dbraw/zinc/13/71/22/685137122.db2.gz WJVQDVJSGAHRFM-RTBURBONSA-N 1 0 320.477 2.379 10 0 DEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1nc(-c2ccccc2)ccc1=O ZINC000246932169 685139432 /nfs/dbraw/zinc/13/94/32/685139432.db2.gz DQXYMCOGZADVQI-RDJZCZTQSA-N 1 0 324.428 2.036 10 0 DEAERO CCOCC[N@@H+]1CCN(CCOc2ccccc2C)C[C@H]1C ZINC000247086989 685141954 /nfs/dbraw/zinc/14/19/54/685141954.db2.gz HHMGECIRMBFBJT-QGZVFWFLSA-N 1 0 306.450 2.416 10 0 DEAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(N)nc(Cl)c2)[C@@H](C)C1 ZINC000247152169 685143693 /nfs/dbraw/zinc/14/36/93/685143693.db2.gz ADRUTICHQXKRGX-CMPLNLGQSA-N 1 0 310.829 2.120 10 0 DEAERO O=C(C[C@@H]1COC(=O)C1)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248383569 685157529 /nfs/dbraw/zinc/15/75/29/685157529.db2.gz ANPWNIZDCKQKBH-HZPDHXFCSA-N 1 0 317.385 2.147 10 0 DEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000248846092 685168941 /nfs/dbraw/zinc/16/89/41/685168941.db2.gz RQMOOHSHUJXVOJ-MCIONIFRSA-N 1 0 312.454 2.477 10 0 DEAERO C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)N1CCc2ccccc21 ZINC000249747931 685186856 /nfs/dbraw/zinc/18/68/56/685186856.db2.gz OCDUMDKNXABZPP-CVEARBPZSA-N 1 0 315.461 2.428 10 0 DEAERO CC(C)(C)c1csc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000250367627 685189988 /nfs/dbraw/zinc/18/99/88/685189988.db2.gz QLWUDHJFWQTXQP-STQMWFEESA-N 1 0 309.479 2.393 10 0 DEAERO